smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001339934645 936392117 /nfs/dbraw/zinc/39/21/17/936392117.db2.gz VHSJJNDAJBAEOA-NVXWUHKLSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001340513127 936406797 /nfs/dbraw/zinc/40/67/97/936406797.db2.gz FQSNPYNNAKUYPV-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc1F ZINC001343335197 936495260 /nfs/dbraw/zinc/49/52/60/936495260.db2.gz VXULGQVFNWAPRZ-ULQDDVLXSA-N 2 1 290.426 3.296 20 0 CGADMP Cc1cc(F)ncc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC001352005771 937031499 /nfs/dbraw/zinc/03/14/99/937031499.db2.gz KJLPIAFXWLIHBD-UHFFFAOYSA-N 2 1 281.419 3.128 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]2C1 ZINC001352111915 937037083 /nfs/dbraw/zinc/03/70/83/937037083.db2.gz JLYVVZMMMIVCNE-IVMMDQJWSA-N 2 1 294.389 3.127 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001351282270 926822448 /nfs/dbraw/zinc/82/24/48/926822448.db2.gz BYAZBMAYABEPDS-JJXSEGSLSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000399016579 927007694 /nfs/dbraw/zinc/00/76/94/927007694.db2.gz CEFFQKXZAWHAOW-NSHDSACASA-N 2 1 279.255 3.034 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1F ZINC001355374853 937138612 /nfs/dbraw/zinc/13/86/12/937138612.db2.gz VNDRLEGWDBAVOJ-BHYGNILZSA-N 2 1 290.426 3.296 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3scnc3c2)CC1 ZINC001461016956 937559414 /nfs/dbraw/zinc/55/94/14/937559414.db2.gz ZDRCGFTZNCACCW-UHFFFAOYSA-N 2 1 289.448 3.259 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001461109676 937564090 /nfs/dbraw/zinc/56/40/90/937564090.db2.gz KOGVXSMTBQCRBW-KGLIPLIRSA-N 2 1 261.413 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H](Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229448616 932153716 /nfs/dbraw/zinc/15/37/16/932153716.db2.gz MOVVHSVIJUKDEB-GOSISDBHSA-N 2 1 288.435 3.146 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001461263549 937572953 /nfs/dbraw/zinc/57/29/53/937572953.db2.gz JNPQIZLFXDHPQC-QGZVFWFLSA-N 2 1 264.457 3.421 20 0 CGADMP C([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001461263549 937572956 /nfs/dbraw/zinc/57/29/56/937572956.db2.gz JNPQIZLFXDHPQC-QGZVFWFLSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc(C)n1 ZINC001461266751 937573422 /nfs/dbraw/zinc/57/34/22/937573422.db2.gz HVLQCGYLKGSWBU-UHFFFAOYSA-N 2 1 277.456 3.297 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2NC)C1 ZINC001461844299 937601204 /nfs/dbraw/zinc/60/12/04/937601204.db2.gz NPMPNHTVHFCDAW-INIZCTEOSA-N 2 1 289.467 3.200 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2NC)C1 ZINC001461844299 937601205 /nfs/dbraw/zinc/60/12/05/937601205.db2.gz NPMPNHTVHFCDAW-INIZCTEOSA-N 2 1 289.467 3.200 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2NC)C1 ZINC001461844299 937601207 /nfs/dbraw/zinc/60/12/07/937601207.db2.gz NPMPNHTVHFCDAW-INIZCTEOSA-N 2 1 289.467 3.200 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](Oc2ccc(F)cc2C[NH+](C)C)C1 ZINC001229858135 932495197 /nfs/dbraw/zinc/49/51/97/932495197.db2.gz GSBIJJPPMGTSOK-MRXNPFEDSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C)CCCC2)C[C@@H]1C ZINC001461862271 937602976 /nfs/dbraw/zinc/60/29/76/937602976.db2.gz SFZLSVJVASREAX-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C)CCCC2)C[C@@H]1C ZINC001461862271 937602978 /nfs/dbraw/zinc/60/29/78/937602978.db2.gz SFZLSVJVASREAX-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC001462103427 937618316 /nfs/dbraw/zinc/61/83/16/937618316.db2.gz ZUOYZWRMBMEONY-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC001462202376 937624894 /nfs/dbraw/zinc/62/48/94/937624894.db2.gz NEBXJKRYJPXINY-RBUKOAKNSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC001462202376 937624897 /nfs/dbraw/zinc/62/48/97/937624897.db2.gz NEBXJKRYJPXINY-RBUKOAKNSA-N 2 1 286.463 3.262 20 0 CGADMP C[C@H]1CCc2nc(C[N@@H+](C)CCCCCC[NH3+])sc2C1 ZINC001332395719 932742970 /nfs/dbraw/zinc/74/29/70/932742970.db2.gz KXCLCBNYWFMHJB-ZDUSSCGKSA-N 2 1 295.496 3.219 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H](C)c1ccccc1 ZINC001462410413 937639485 /nfs/dbraw/zinc/63/94/85/937639485.db2.gz MXJHTMGYOSJHFV-INIZCTEOSA-N 2 1 262.441 3.358 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001308118801 933051042 /nfs/dbraw/zinc/05/10/42/933051042.db2.gz LYCAOMWHFFVIFQ-XWTMOSNGSA-N 2 1 287.451 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001308118801 933051048 /nfs/dbraw/zinc/05/10/48/933051048.db2.gz LYCAOMWHFFVIFQ-XWTMOSNGSA-N 2 1 287.451 3.340 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCc2ccccc2CC1 ZINC001308240122 933078406 /nfs/dbraw/zinc/07/84/06/933078406.db2.gz MUYFZOSRANSGDJ-HNNXBMFYSA-N 2 1 274.452 3.254 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCc2ccccc2CC1 ZINC001308240122 933078411 /nfs/dbraw/zinc/07/84/11/933078411.db2.gz MUYFZOSRANSGDJ-HNNXBMFYSA-N 2 1 274.452 3.254 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001308245591 933080499 /nfs/dbraw/zinc/08/04/99/933080499.db2.gz YWDUJUPGMQCUEB-XGUBFFRZSA-N 2 1 270.486 3.123 20 0 CGADMP CCC1CCC(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC001308253081 933081101 /nfs/dbraw/zinc/08/11/01/933081101.db2.gz CTKZOLHBWHOGQC-UHFFFAOYSA-N 2 1 275.440 3.454 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001308399880 933106656 /nfs/dbraw/zinc/10/66/56/933106656.db2.gz RAZOCAIQTIRZMO-ULQDDVLXSA-N 2 1 264.457 3.443 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001308399880 933106661 /nfs/dbraw/zinc/10/66/61/933106661.db2.gz RAZOCAIQTIRZMO-ULQDDVLXSA-N 2 1 264.457 3.443 20 0 CGADMP C1CC1[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001308441993 933111732 /nfs/dbraw/zinc/11/17/32/933111732.db2.gz VWWYOBPQKZLHPE-VVLHAWIVSA-N 2 1 262.441 3.172 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC001308555798 933131429 /nfs/dbraw/zinc/13/14/29/933131429.db2.gz YHKKBEDCIDMRMH-KKUMJFAQSA-N 2 1 280.362 3.054 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001308585642 933137536 /nfs/dbraw/zinc/13/75/36/933137536.db2.gz POMHSSGEHCWPKD-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001308585642 933137538 /nfs/dbraw/zinc/13/75/38/933137538.db2.gz POMHSSGEHCWPKD-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001308585642 933137541 /nfs/dbraw/zinc/13/75/41/933137541.db2.gz POMHSSGEHCWPKD-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001308983616 933221582 /nfs/dbraw/zinc/22/15/82/933221582.db2.gz GFDZIALCOZCHDX-QUSNUVHPSA-N 2 1 266.473 3.377 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001319281496 933852475 /nfs/dbraw/zinc/85/24/75/933852475.db2.gz ANAVBUIGKSBNMH-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)CCc2ccc(F)cc2F)CC1 ZINC001319992677 933973073 /nfs/dbraw/zinc/97/30/73/933973073.db2.gz YRUXPQCDEXZPNZ-UHFFFAOYSA-N 2 1 296.405 3.314 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccc(F)cc2F)CC1 ZINC001319992677 933973084 /nfs/dbraw/zinc/97/30/84/933973084.db2.gz YRUXPQCDEXZPNZ-UHFFFAOYSA-N 2 1 296.405 3.314 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC001324158613 934467576 /nfs/dbraw/zinc/46/75/76/934467576.db2.gz LWVHTRMYKMUVBX-YPMHNXCESA-N 2 1 289.810 3.141 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001324444643 934504053 /nfs/dbraw/zinc/50/40/53/934504053.db2.gz XACGJQZPPBDSGH-WMZOPIPTSA-N 2 1 274.452 3.246 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473133664 937793962 /nfs/dbraw/zinc/79/39/62/937793962.db2.gz ZPHIIDUEIUNPIQ-WBVHZDCISA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C\C1CC1 ZINC001324969581 934877859 /nfs/dbraw/zinc/87/78/59/934877859.db2.gz RZGOJRNYEJQXGK-BXOXOBTFSA-N 2 1 284.447 3.453 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC001325720283 934924877 /nfs/dbraw/zinc/92/48/77/934924877.db2.gz FVHXSKFGAJNJPK-MNOVXSKESA-N 2 1 269.458 3.224 20 0 CGADMP COc1ccc(Cl)cc1CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC001325743835 934926011 /nfs/dbraw/zinc/92/60/11/934926011.db2.gz QFBJAACIPUYPHE-DOMZBBRYSA-N 2 1 296.842 3.011 20 0 CGADMP Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001325775270 934929080 /nfs/dbraw/zinc/92/90/80/934929080.db2.gz BJUVEIIRJZBJAK-UHFFFAOYSA-N 2 1 295.430 3.411 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccccc1SC ZINC001326473250 934981755 /nfs/dbraw/zinc/98/17/55/934981755.db2.gz HPWUQQMWGVXMEV-LBPRGKRZSA-N 2 1 252.427 3.059 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001329434601 935216035 /nfs/dbraw/zinc/21/60/35/935216035.db2.gz UOQGDXLUNCQVMG-UHFFFAOYSA-N 2 1 293.480 3.232 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC001330015956 935261407 /nfs/dbraw/zinc/26/14/07/935261407.db2.gz KCKQXPWIODBORG-HOTGVXAUSA-N 2 1 298.833 3.484 20 0 CGADMP Fc1cccc2c1CC[C@H]2[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332423503 935467636 /nfs/dbraw/zinc/46/76/36/935467636.db2.gz CYZDBDJEODAJEL-QGZVFWFLSA-N 2 1 288.410 3.279 20 0 CGADMP Fc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC001332457105 935472102 /nfs/dbraw/zinc/47/21/02/935472102.db2.gz WMDQUGNSJQBBIW-OAHLLOKOSA-N 2 1 276.399 3.180 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001333743227 936061897 /nfs/dbraw/zinc/06/18/97/936061897.db2.gz VSIKFNNTPUUIDK-JKSUJKDBSA-N 2 1 292.471 3.043 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2C1 ZINC001335150094 936132235 /nfs/dbraw/zinc/13/22/35/936132235.db2.gz PKKXQCMYDIPVLQ-KZNAEPCWSA-N 2 1 297.446 3.330 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842808 937824137 /nfs/dbraw/zinc/82/41/37/937824137.db2.gz XFUQRPWVIJGAKT-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842808 937824138 /nfs/dbraw/zinc/82/41/38/937824138.db2.gz XFUQRPWVIJGAKT-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842808 937824140 /nfs/dbraw/zinc/82/41/40/937824140.db2.gz XFUQRPWVIJGAKT-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP COc1cc(C)ccc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001474105978 937840532 /nfs/dbraw/zinc/84/05/32/937840532.db2.gz FCRXSCCBNIGMNT-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC001474302839 937849681 /nfs/dbraw/zinc/84/96/81/937849681.db2.gz IEDCRDMLYKIBOK-SLEUVZQESA-N 2 1 299.245 3.423 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2NC)C[C@H]1C ZINC001474317982 937851383 /nfs/dbraw/zinc/85/13/83/937851383.db2.gz QZDDFUZUHAPTEP-WBVHZDCISA-N 2 1 289.467 3.341 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2NC)C[C@H]1C ZINC001474317982 937851385 /nfs/dbraw/zinc/85/13/85/937851385.db2.gz QZDDFUZUHAPTEP-WBVHZDCISA-N 2 1 289.467 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2NC)C[C@H]1C ZINC001474317982 937851387 /nfs/dbraw/zinc/85/13/87/937851387.db2.gz QZDDFUZUHAPTEP-WBVHZDCISA-N 2 1 289.467 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2NC)C[C@H]1C ZINC001474317982 937851389 /nfs/dbraw/zinc/85/13/89/937851389.db2.gz QZDDFUZUHAPTEP-WBVHZDCISA-N 2 1 289.467 3.341 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1 ZINC001474508412 937864082 /nfs/dbraw/zinc/86/40/82/937864082.db2.gz JJUYGFSYFRZDSH-KRWDZBQOSA-N 2 1 260.425 3.002 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1 ZINC001474508412 937864084 /nfs/dbraw/zinc/86/40/84/937864084.db2.gz JJUYGFSYFRZDSH-KRWDZBQOSA-N 2 1 260.425 3.002 20 0 CGADMP CC(C)SCC[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001474647971 937872805 /nfs/dbraw/zinc/87/28/05/937872805.db2.gz WMMLEFTXCFXBBS-HUUCEWRRSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CNc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001474754316 937879189 /nfs/dbraw/zinc/87/91/89/937879189.db2.gz VQAUSWPLDPHBTF-UHFFFAOYSA-N 2 1 298.434 3.055 20 0 CGADMP CCC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001551285165 938179664 /nfs/dbraw/zinc/17/96/64/938179664.db2.gz YCDKCXSJYNHACC-SOUVJXGZSA-N 2 1 252.446 3.085 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3Cc4ccccc43)CC[NH2+]2)cc1 ZINC001552080687 938189999 /nfs/dbraw/zinc/18/99/99/938189999.db2.gz FZEUQKPINBKIJP-NEWSRXKRSA-N 2 1 278.399 3.367 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3Cc4ccccc43)CC[NH2+]2)cc1 ZINC001552080688 938190024 /nfs/dbraw/zinc/19/00/24/938190024.db2.gz FZEUQKPINBKIJP-NZSAHSFTSA-N 2 1 278.399 3.367 20 0 CGADMP FC(F)(F)[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552312440 938191055 /nfs/dbraw/zinc/19/10/55/938191055.db2.gz OAQXHVZMNUFWMZ-KBUPBQIOSA-N 2 1 298.352 3.268 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC001559977517 938240593 /nfs/dbraw/zinc/24/05/93/938240593.db2.gz WZIUBPMNHLFIII-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001559977517 938240594 /nfs/dbraw/zinc/24/05/94/938240594.db2.gz WZIUBPMNHLFIII-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001559977517 938240595 /nfs/dbraw/zinc/24/05/95/938240595.db2.gz WZIUBPMNHLFIII-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001560268163 938250171 /nfs/dbraw/zinc/25/01/71/938250171.db2.gz XOHMJTNYKAZIGI-MAUKXSAKSA-N 2 1 290.451 3.184 20 0 CGADMP Cc1cccc(O[C@H](C)C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001560341624 938253952 /nfs/dbraw/zinc/25/39/52/938253952.db2.gz NXPUWIFRBRJMKR-OAHLLOKOSA-N 2 1 299.418 3.013 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001560461072 938259271 /nfs/dbraw/zinc/25/92/71/938259271.db2.gz IGOGYJBPRVBTNV-BZUAXINKSA-N 2 1 252.446 3.299 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001560546659 938262553 /nfs/dbraw/zinc/26/25/53/938262553.db2.gz CPVRXGVUAMILPZ-LBPRGKRZSA-N 2 1 288.357 3.444 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)CC1 ZINC001560804052 938276714 /nfs/dbraw/zinc/27/67/14/938276714.db2.gz PVVHDGXVQAQSEA-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001560951117 938285965 /nfs/dbraw/zinc/28/59/65/938285965.db2.gz YIAWGUFZUZBXLH-IEBWSBKVSA-N 2 1 298.474 3.428 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001561053699 938292424 /nfs/dbraw/zinc/29/24/24/938292424.db2.gz YXYFBXAFCBJNAK-NYCLONFESA-N 2 1 290.426 3.077 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257207819 960427011 /nfs/dbraw/zinc/42/70/11/960427011.db2.gz LZEARJGYYGEMRH-SFHVURJKSA-N 2 1 287.451 3.304 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001580293086 960486735 /nfs/dbraw/zinc/48/67/35/960486735.db2.gz PFYMQSRQNWZXNI-IRXDYDNUSA-N 2 1 282.472 3.034 20 0 CGADMP c1ccc(CC[N@H+](CCC2C[NH2+]C2)C2CCCC2)cc1 ZINC001580893084 960488112 /nfs/dbraw/zinc/48/81/12/960488112.db2.gz RXYREMRJUMEQAA-UHFFFAOYSA-N 2 1 272.436 3.083 20 0 CGADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC2(CCCCCC2)O1 ZINC001574800656 962317991 /nfs/dbraw/zinc/31/79/91/962317991.db2.gz KLURDLWTTZTLSR-JKSUJKDBSA-N 2 1 292.467 3.133 20 0 CGADMP CC(C)C[C@@H]1CCCCC[N@H+]1CC1(C[NH3+])CCC1 ZINC001575550621 962391200 /nfs/dbraw/zinc/39/12/00/962391200.db2.gz XMAGBJOOQLHZCT-HNNXBMFYSA-N 2 1 252.446 3.406 20 0 CGADMP CC(C)CSCCC[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575616524 962395205 /nfs/dbraw/zinc/39/52/05/962395205.db2.gz APWFWYOQJOZBJD-HOTGVXAUSA-N 2 1 284.513 3.217 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC001575566553 962398691 /nfs/dbraw/zinc/39/86/91/962398691.db2.gz YKQUJGWRHQMNQM-OWCLPIDISA-N 2 1 252.446 3.323 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cn1 ZINC001575655207 962411302 /nfs/dbraw/zinc/41/13/02/962411302.db2.gz ICMXKAQEOPMBBP-UXLLHSPISA-N 2 1 289.467 3.085 20 0 CGADMP CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)CC1C[NH2+]C1 ZINC001575689504 962411361 /nfs/dbraw/zinc/41/13/61/962411361.db2.gz JNFLQTPCMFOPKQ-UHFFFAOYSA-N 2 1 286.341 3.135 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC001575859851 962420044 /nfs/dbraw/zinc/42/00/44/962420044.db2.gz SJQHTKZSVBEXJS-IRXDYDNUSA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC001575859851 962420055 /nfs/dbraw/zinc/42/00/55/962420055.db2.gz SJQHTKZSVBEXJS-IRXDYDNUSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H](c1nccc2ccccc21)[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC001576607919 962476488 /nfs/dbraw/zinc/47/64/88/962476488.db2.gz LJEYMTYZXQBWBF-IPYPFGDCSA-N 2 1 269.392 3.107 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[NH2+]1 ZINC001576671272 962484800 /nfs/dbraw/zinc/48/48/00/962484800.db2.gz WMESOFWFAJNBHZ-WCQYABFASA-N 2 1 291.826 3.094 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC001576747432 962492545 /nfs/dbraw/zinc/49/25/45/962492545.db2.gz ADCUXFXIICUEIH-VSUWHUOPSA-N 2 1 294.483 3.233 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)CC1 ZINC001577204791 962513293 /nfs/dbraw/zinc/51/32/93/962513293.db2.gz ARRLJPSDVKKHFP-NEIABLLTSA-N 2 1 252.446 3.321 20 0 CGADMP CCC[N@@H+](Cc1csc(C)c1C)C1CC[NH2+]CC1 ZINC001577526900 962550552 /nfs/dbraw/zinc/55/05/52/962550552.db2.gz JOAHACMLYFLQNP-UHFFFAOYSA-N 2 1 266.454 3.329 20 0 CGADMP CCOc1cc(F)cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC001578168345 962578251 /nfs/dbraw/zinc/57/82/51/962578251.db2.gz IAWIQROVHCXAAR-KRWDZBQOSA-N 2 1 294.414 3.222 20 0 CGADMP CCc1cccc2cc(C[NH+]3CCC(C)([NH3+])CC3)oc21 ZINC001578268454 962585021 /nfs/dbraw/zinc/58/50/21/962585021.db2.gz HUVMXJKFJXIICD-UHFFFAOYSA-N 2 1 272.392 3.308 20 0 CGADMP C[N@H+](CCC[NH2+]C1CC1)Cc1cccc(C(F)(F)F)c1 ZINC001578469233 962590261 /nfs/dbraw/zinc/59/02/61/962590261.db2.gz MCCTXIAVRPFGBU-UHFFFAOYSA-N 2 1 286.341 3.279 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CC1)Cc1cccc(C(F)(F)F)c1 ZINC001578469233 962590274 /nfs/dbraw/zinc/59/02/74/962590274.db2.gz MCCTXIAVRPFGBU-UHFFFAOYSA-N 2 1 286.341 3.279 20 0 CGADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001578485982 962590394 /nfs/dbraw/zinc/59/03/94/962590394.db2.gz GYNKUAXFUUAOCN-RANZSIQMSA-N 2 1 272.436 3.382 20 0 CGADMP COCC[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC001579002298 962610022 /nfs/dbraw/zinc/61/00/22/962610022.db2.gz PSYJYZJFQRGAPB-WMLDXEAASA-N 2 1 294.414 3.010 20 0 CGADMP Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC3(C[NH3+])CCC3)C2)cc1 ZINC001579677834 962657981 /nfs/dbraw/zinc/65/79/81/962657981.db2.gz DESDECINIIEQMV-WBVHZDCISA-N 2 1 272.436 3.302 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)CC(F)F ZINC001580132892 962698799 /nfs/dbraw/zinc/69/87/99/962698799.db2.gz RFLRSZCGYMRUDD-XBFCOCLRSA-N 2 1 286.341 3.034 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]2C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001580892997 962741260 /nfs/dbraw/zinc/74/12/60/962741260.db2.gz OXVODDQLZFCULN-BZSNNMDCSA-N 2 1 272.436 3.302 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CCCC[C@H]1C ZINC000423495864 289996436 /nfs/dbraw/zinc/99/64/36/289996436.db2.gz CZBMPYMLQOJEJV-VRKREXBASA-N 2 1 252.446 3.308 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000589838142 346813692 /nfs/dbraw/zinc/81/36/92/346813692.db2.gz UQDNNFLSQKXUTG-MSOLQXFVSA-N 2 1 272.436 3.356 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000589838142 346813696 /nfs/dbraw/zinc/81/36/96/346813696.db2.gz UQDNNFLSQKXUTG-MSOLQXFVSA-N 2 1 272.436 3.356 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000337451051 214089219 /nfs/dbraw/zinc/08/92/19/214089219.db2.gz SWGZPNAKPNABMT-WBMJQRKESA-N 2 1 289.810 3.370 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)oc1C ZINC000337485659 214112889 /nfs/dbraw/zinc/11/28/89/214112889.db2.gz SHJLIBPFCYGZAZ-GJZGRUSLSA-N 2 1 294.439 3.048 20 0 CGADMP COc1ccc(C[N@H+](CCCn2cc[nH+]c2C)C2CC2)cc1 ZINC000124737742 187151075 /nfs/dbraw/zinc/15/10/75/187151075.db2.gz JKAFXWHEANCODM-UHFFFAOYSA-N 2 1 299.418 3.255 20 0 CGADMP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)C2CC2)cc1 ZINC000124737742 187151076 /nfs/dbraw/zinc/15/10/76/187151076.db2.gz JKAFXWHEANCODM-UHFFFAOYSA-N 2 1 299.418 3.255 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000337738052 214240615 /nfs/dbraw/zinc/24/06/15/214240615.db2.gz BKRLSXBFBPNVLC-GOSISDBHSA-N 2 1 290.451 3.426 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705072 398271774 /nfs/dbraw/zinc/27/17/74/398271774.db2.gz HAHHADNIVXBMEB-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP CC1(C)CCC[NH+]1C/C=C\C[N@@H+]1CCCC1(C)C ZINC000590605777 346855099 /nfs/dbraw/zinc/85/50/99/346855099.db2.gz RXFCWTCJWRDURS-WAYWQWQTSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cc2cnccc2o1)[NH+]1CCCCC1 ZINC000651759959 398283569 /nfs/dbraw/zinc/28/35/69/398283569.db2.gz ITUNLRHLCHDXLA-AWEZNQCLSA-N 2 1 287.407 3.182 20 0 CGADMP COc1ccc(F)c(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000622043425 349623221 /nfs/dbraw/zinc/62/32/21/349623221.db2.gz APAXIQRCUQMJIZ-HIFRSBDPSA-N 2 1 294.414 3.235 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000651791405 398288425 /nfs/dbraw/zinc/28/84/25/398288425.db2.gz YOYJOYKYRHZHHT-HWOWSKLDSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000337950059 214326991 /nfs/dbraw/zinc/32/69/91/214326991.db2.gz NTVFWJVYYJKPIC-UHFFFAOYSA-N 2 1 296.418 3.470 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)c2sccc21 ZINC000334542764 290637502 /nfs/dbraw/zinc/63/75/02/290637502.db2.gz NBULMXOPRZOLEI-FZMZJTMJSA-N 2 1 264.438 3.370 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337987658 214345693 /nfs/dbraw/zinc/34/56/93/214345693.db2.gz GMFNZDNSRNKVRJ-HZPDHXFCSA-N 2 1 261.413 3.140 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337986943 214345965 /nfs/dbraw/zinc/34/59/65/214345965.db2.gz DSJOTZSRSJDBRH-JKSUJKDBSA-N 2 1 281.419 3.480 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337986521 214343828 /nfs/dbraw/zinc/34/38/28/214343828.db2.gz DSJOTZSRSJDBRH-HZPDHXFCSA-N 2 1 281.419 3.480 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCCOCC1)C1CCCCC1 ZINC000651910238 398304840 /nfs/dbraw/zinc/30/48/40/398304840.db2.gz MHUGJKZZEMECLY-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000338012704 214360872 /nfs/dbraw/zinc/36/08/72/214360872.db2.gz MQIACMNFKVXBOI-QGZVFWFLSA-N 2 1 287.407 3.331 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000338017598 214362396 /nfs/dbraw/zinc/36/23/96/214362396.db2.gz NZNOXVSJRDRVJD-PXAZEXFGSA-N 2 1 287.382 3.244 20 0 CGADMP CCCCO[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338016110 214362572 /nfs/dbraw/zinc/36/25/72/214362572.db2.gz ZQJKWNOATISLJI-HOTGVXAUSA-N 2 1 293.455 3.155 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H]1CCCF)C(C)C ZINC000337998310 214353878 /nfs/dbraw/zinc/35/38/78/214353878.db2.gz RZBRKWBWJPKBKJ-CABCVRRESA-N 2 1 258.425 3.225 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H]1CCCF)C(C)C ZINC000337998310 214353881 /nfs/dbraw/zinc/35/38/81/214353881.db2.gz RZBRKWBWJPKBKJ-CABCVRRESA-N 2 1 258.425 3.225 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CCCC2)CC1 ZINC000590786147 346875921 /nfs/dbraw/zinc/87/59/21/346875921.db2.gz CVPATHGFAHEOKZ-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000372528523 282206238 /nfs/dbraw/zinc/20/62/38/282206238.db2.gz BQTNPTZDPMTPQR-JCGIZDLHSA-N 2 1 283.419 3.363 20 0 CGADMP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1F ZINC000423333524 529622620 /nfs/dbraw/zinc/62/26/20/529622620.db2.gz HRVLFCYCCJHXMR-JKSUJKDBSA-N 2 1 264.388 3.256 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1C[C@@H]1C ZINC000414109465 529613486 /nfs/dbraw/zinc/61/34/86/529613486.db2.gz HHNMYGJKCLLKCA-JONQDZQNSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cc2)CC1(C)C ZINC000623340661 349782711 /nfs/dbraw/zinc/78/27/11/349782711.db2.gz STHTXOCWOUKCEY-AWEZNQCLSA-N 2 1 296.842 3.181 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCCCC2)CC1(C)C ZINC000623343333 349783287 /nfs/dbraw/zinc/78/32/87/349783287.db2.gz MXQICVZTVJETSL-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP COc1cc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Cl ZINC000623358468 349788079 /nfs/dbraw/zinc/78/80/79/349788079.db2.gz BJHVKTGBEHCKBY-GJZGRUSLSA-N 2 1 294.826 3.065 20 0 CGADMP C[C@@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371577 349792289 /nfs/dbraw/zinc/79/22/89/349792289.db2.gz JXNBNHFOXDJAKM-DZGCQCFKSA-N 2 1 294.414 3.055 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623372319 349792351 /nfs/dbraw/zinc/79/23/51/349792351.db2.gz ORLDVRPNOJLCED-ZFWWWQNUSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000424372671 529655781 /nfs/dbraw/zinc/65/57/81/529655781.db2.gz IJVWQYQWNZEBTB-QLFBSQMISA-N 2 1 250.361 3.136 20 0 CGADMP CC(C)Oc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623354496 349786521 /nfs/dbraw/zinc/78/65/21/349786521.db2.gz XHMAUGHQYJKLGL-INIZCTEOSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623354496 349786528 /nfs/dbraw/zinc/78/65/28/349786528.db2.gz XHMAUGHQYJKLGL-INIZCTEOSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000423453464 529666000 /nfs/dbraw/zinc/66/60/00/529666000.db2.gz XQYGEHRLAKYGRB-BREBYQMCSA-N 2 1 272.339 3.064 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623381958 349794609 /nfs/dbraw/zinc/79/46/09/349794609.db2.gz QEHBVBCLJTXWNC-RDJZCZTQSA-N 2 1 272.436 3.445 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401806 349799696 /nfs/dbraw/zinc/79/96/96/349799696.db2.gz PGZOGGCZLLLTEG-GDBMZVCRSA-N 2 1 290.451 3.176 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623406350 349800776 /nfs/dbraw/zinc/80/07/76/349800776.db2.gz UXRFWUWWVFWCEH-INIZCTEOSA-N 2 1 290.451 3.226 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623414714 349802932 /nfs/dbraw/zinc/80/29/32/349802932.db2.gz NISGNSFOPRMUJC-UKPHBRMFSA-N 2 1 272.436 3.382 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC(C)(C)CC1 ZINC000351183901 219083050 /nfs/dbraw/zinc/08/30/50/219083050.db2.gz NJIYNPWCCOVCSX-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCC(C)(C)CC1 ZINC000351183901 219083052 /nfs/dbraw/zinc/08/30/52/219083052.db2.gz NJIYNPWCCOVCSX-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCC(C)(C)CC1 ZINC000351183901 219083054 /nfs/dbraw/zinc/08/30/54/219083054.db2.gz NJIYNPWCCOVCSX-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCC2(C)C)CC1(C)C ZINC000623445857 349811545 /nfs/dbraw/zinc/81/15/45/349811545.db2.gz HNNJICZKXQQAOR-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccsc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623482995 349817222 /nfs/dbraw/zinc/81/72/22/349817222.db2.gz PHCRMUZFSLOCKO-ZDUSSCGKSA-N 2 1 266.454 3.061 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623504189 349822597 /nfs/dbraw/zinc/82/25/97/349822597.db2.gz CSQPMTFHZMFDED-CQSZACIVSA-N 2 1 254.462 3.377 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623515844 349825200 /nfs/dbraw/zinc/82/52/00/349825200.db2.gz SKFDOEPHJTVIER-AAEUAGOBSA-N 2 1 252.427 3.272 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623515844 349825203 /nfs/dbraw/zinc/82/52/03/349825203.db2.gz SKFDOEPHJTVIER-AAEUAGOBSA-N 2 1 252.427 3.272 20 0 CGADMP C[C@@H]1CC(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623516353 349825336 /nfs/dbraw/zinc/82/53/36/349825336.db2.gz ONQAHAVMOIQEGH-FMKPAKJESA-N 2 1 282.472 3.043 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)C[C@@H]12 ZINC000351473288 219098804 /nfs/dbraw/zinc/09/88/04/219098804.db2.gz DHAKJGDQBBOPRL-KCPJHIHWSA-N 2 1 296.867 3.101 20 0 CGADMP CCCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000295066262 199327432 /nfs/dbraw/zinc/32/74/32/199327432.db2.gz QQBBWGVTYIZBAF-AYHJJNSGSA-N 2 1 272.436 3.354 20 0 CGADMP COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)ccc1Cl ZINC000623544968 349830304 /nfs/dbraw/zinc/83/03/04/349830304.db2.gz VHMSMNUIMQWDNZ-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)CC1(C)C ZINC000623559606 349835005 /nfs/dbraw/zinc/83/50/05/349835005.db2.gz HSZYTFCPORPYRQ-BFHYXJOUSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@H]2CCC[C@@H]21 ZINC000367621748 529806506 /nfs/dbraw/zinc/80/65/06/529806506.db2.gz SYVDCOARGHBVFP-NEWSRXKRSA-N 2 1 297.446 3.173 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000424325706 529807182 /nfs/dbraw/zinc/80/71/82/529807182.db2.gz OHLJBSNYEKQWRX-TXTZMMAHSA-N 2 1 288.410 3.086 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000424325706 529807183 /nfs/dbraw/zinc/80/71/83/529807183.db2.gz OHLJBSNYEKQWRX-TXTZMMAHSA-N 2 1 288.410 3.086 20 0 CGADMP Fc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000128026605 187346927 /nfs/dbraw/zinc/34/69/27/187346927.db2.gz UYPZFKRFPCKLEX-QWHCGFSZSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000128026605 187346929 /nfs/dbraw/zinc/34/69/29/187346929.db2.gz UYPZFKRFPCKLEX-QWHCGFSZSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000128026605 187346931 /nfs/dbraw/zinc/34/69/31/187346931.db2.gz UYPZFKRFPCKLEX-QWHCGFSZSA-N 2 1 282.790 3.196 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000623656103 349856856 /nfs/dbraw/zinc/85/68/56/349856856.db2.gz NDIXFJBFRBXNCK-CYBMUJFWSA-N 2 1 293.480 3.232 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000623656103 349856857 /nfs/dbraw/zinc/85/68/57/349856857.db2.gz NDIXFJBFRBXNCK-CYBMUJFWSA-N 2 1 293.480 3.232 20 0 CGADMP Cc1cc(C)cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623655758 349856868 /nfs/dbraw/zinc/85/68/68/349856868.db2.gz DSCKRLVXAQWFJB-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656174 349856942 /nfs/dbraw/zinc/85/69/42/349856942.db2.gz OOCHGWCVXBVMOQ-BSDKJSHOSA-N 2 1 288.435 3.030 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000623656217 349858207 /nfs/dbraw/zinc/85/82/07/349858207.db2.gz PFMRCYYHYQIPGS-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623656217 349858213 /nfs/dbraw/zinc/85/82/13/349858213.db2.gz PFMRCYYHYQIPGS-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000418084882 529883943 /nfs/dbraw/zinc/88/39/43/529883943.db2.gz SATVRHANJCJQOJ-WMZOPIPTSA-N 2 1 272.436 3.254 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000592475789 346992927 /nfs/dbraw/zinc/99/29/27/346992927.db2.gz IYFGMAGAVRNGBE-HZPDHXFCSA-N 2 1 284.513 3.372 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000592475775 346993018 /nfs/dbraw/zinc/99/30/18/346993018.db2.gz IYFGMAGAVRNGBE-CVEARBPZSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1csc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)n1 ZINC000623857855 349897665 /nfs/dbraw/zinc/89/76/65/349897665.db2.gz ZELVEAASVOPTHJ-CYBMUJFWSA-N 2 1 289.448 3.364 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423255766 529985557 /nfs/dbraw/zinc/98/55/57/529985557.db2.gz ASVRBWYSSJBQKU-MNOVXSKESA-N 2 1 290.329 3.091 20 0 CGADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000172584620 529995610 /nfs/dbraw/zinc/99/56/10/529995610.db2.gz GNPPGMDOQBZNNT-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP C[N@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000172584620 529995612 /nfs/dbraw/zinc/99/56/12/529995612.db2.gz GNPPGMDOQBZNNT-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP C[NH+](Cc1cccc(OC(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172584620 529995614 /nfs/dbraw/zinc/99/56/14/529995614.db2.gz GNPPGMDOQBZNNT-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP C[NH+](Cc1cccc(OC(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172584620 529995616 /nfs/dbraw/zinc/99/56/16/529995616.db2.gz GNPPGMDOQBZNNT-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC000150193023 232203567 /nfs/dbraw/zinc/20/35/67/232203567.db2.gz QUCAKJJHHLCONL-FZMZJTMJSA-N 2 1 268.351 3.197 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n1 ZINC000080959344 345691978 /nfs/dbraw/zinc/69/19/78/345691978.db2.gz WUULRYXHBDVCOB-LBPRGKRZSA-N 2 1 298.415 3.399 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000085099170 345744374 /nfs/dbraw/zinc/74/43/74/345744374.db2.gz KWRFKHOEORWVSM-WCVJEAGWSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC000081633174 345716211 /nfs/dbraw/zinc/71/62/11/345716211.db2.gz JDEGSBCUUWEYPI-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000081633174 345716214 /nfs/dbraw/zinc/71/62/14/345716214.db2.gz JDEGSBCUUWEYPI-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000081633174 345716216 /nfs/dbraw/zinc/71/62/16/345716216.db2.gz JDEGSBCUUWEYPI-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000091482633 345816409 /nfs/dbraw/zinc/81/64/09/345816409.db2.gz MELYECFXDMCCOD-GFCCVEGCSA-N 2 1 273.355 3.128 20 0 CGADMP Clc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000168924310 232265933 /nfs/dbraw/zinc/26/59/33/232265933.db2.gz KOBWNALZDHYNLB-JKSUJKDBSA-N 2 1 278.827 3.099 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000093398263 345877865 /nfs/dbraw/zinc/87/78/65/345877865.db2.gz MOMIJHHHJKTLJV-KBPBESRZSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC2CCCCCC2)CC[N@@H+]1C ZINC000123677500 346010281 /nfs/dbraw/zinc/01/02/81/346010281.db2.gz ACQRSOHOLWKETF-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC2CCCCCC2)CC[N@H+]1C ZINC000123677500 346010284 /nfs/dbraw/zinc/01/02/84/346010284.db2.gz ACQRSOHOLWKETF-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOC2CCCCCC2)CC[NH+]1C ZINC000123677500 346010286 /nfs/dbraw/zinc/01/02/86/346010286.db2.gz ACQRSOHOLWKETF-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC2CCCCCC2)CC[NH+]1C ZINC000123677500 346010290 /nfs/dbraw/zinc/01/02/90/346010290.db2.gz ACQRSOHOLWKETF-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP Cc1cccc(C)c1OCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177060529 232353729 /nfs/dbraw/zinc/35/37/29/232353729.db2.gz JVWDNMUYLKFQHM-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177060529 232353732 /nfs/dbraw/zinc/35/37/32/232353732.db2.gz JVWDNMUYLKFQHM-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177060529 232353734 /nfs/dbraw/zinc/35/37/34/232353734.db2.gz JVWDNMUYLKFQHM-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177060529 232353736 /nfs/dbraw/zinc/35/37/36/232353736.db2.gz JVWDNMUYLKFQHM-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228288103 346313639 /nfs/dbraw/zinc/31/36/39/346313639.db2.gz IBMVGUNQLGIXBX-DGCLKSJQSA-N 2 1 258.365 3.053 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000249554935 346382369 /nfs/dbraw/zinc/38/23/69/346382369.db2.gz LSAXQBBSVRMZHP-YOEHRIQHSA-N 2 1 288.435 3.004 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000252125555 346390002 /nfs/dbraw/zinc/39/00/02/346390002.db2.gz LJDUGUHUCAMLPH-XUWVNRHRSA-N 2 1 252.446 3.131 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308614501 346468042 /nfs/dbraw/zinc/46/80/42/346468042.db2.gz OZJIVYQRVJKVLZ-ZBFHGGJFSA-N 2 1 264.457 3.443 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CCCCCC2)C1 ZINC000568697341 346664540 /nfs/dbraw/zinc/66/45/40/346664540.db2.gz NZENXRQVALEIPX-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CC2CCCCCC2)C1 ZINC000568697341 346664541 /nfs/dbraw/zinc/66/45/41/346664541.db2.gz NZENXRQVALEIPX-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CC2CCCCCC2)C1 ZINC000568697341 346664542 /nfs/dbraw/zinc/66/45/42/346664542.db2.gz NZENXRQVALEIPX-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000584766836 346712954 /nfs/dbraw/zinc/71/29/54/346712954.db2.gz FBEJYFPSMMKGFI-IRXDYDNUSA-N 2 1 287.382 3.209 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000584766836 346712956 /nfs/dbraw/zinc/71/29/56/346712956.db2.gz FBEJYFPSMMKGFI-IRXDYDNUSA-N 2 1 287.382 3.209 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589633517 346803460 /nfs/dbraw/zinc/80/34/60/346803460.db2.gz LJVIITSMEHUASE-AWEZNQCLSA-N 2 1 288.439 3.163 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000589644595 346805580 /nfs/dbraw/zinc/80/55/80/346805580.db2.gz OETQKZJPBKGZOR-OKILXGFUSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000589644595 346805583 /nfs/dbraw/zinc/80/55/83/346805583.db2.gz OETQKZJPBKGZOR-OKILXGFUSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1cncs1 ZINC000128638730 187381570 /nfs/dbraw/zinc/38/15/70/187381570.db2.gz UHVJHLPXJDHVSM-AWEZNQCLSA-N 2 1 289.448 3.316 20 0 CGADMP C[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1cncs1 ZINC000128638730 187381571 /nfs/dbraw/zinc/38/15/71/187381571.db2.gz UHVJHLPXJDHVSM-AWEZNQCLSA-N 2 1 289.448 3.316 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000624120183 349976941 /nfs/dbraw/zinc/97/69/41/349976941.db2.gz UAWIKUJUFNTEQA-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000624120183 349976944 /nfs/dbraw/zinc/97/69/44/349976944.db2.gz UAWIKUJUFNTEQA-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1F ZINC000624120369 349977561 /nfs/dbraw/zinc/97/75/61/349977561.db2.gz XLPKKJUBNZFCKA-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000624121931 349979834 /nfs/dbraw/zinc/97/98/34/349979834.db2.gz GEYJFEPOWFQSTI-NXVRBGIVSA-N 2 1 290.426 3.393 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000624121930 349979893 /nfs/dbraw/zinc/97/98/93/349979893.db2.gz GEYJFEPOWFQSTI-MXWWQKGMSA-N 2 1 290.426 3.393 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121945 349979917 /nfs/dbraw/zinc/97/99/17/349979917.db2.gz GLGJZKPZCSEGCJ-GJZGRUSLSA-N 2 1 275.440 3.027 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121945 349979918 /nfs/dbraw/zinc/97/99/18/349979918.db2.gz GLGJZKPZCSEGCJ-GJZGRUSLSA-N 2 1 275.440 3.027 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000624122429 349981365 /nfs/dbraw/zinc/98/13/65/349981365.db2.gz RCSULRSJUXAAET-ZBFHGGJFSA-N 2 1 275.440 3.081 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCCCOc1ccccc1 ZINC000339406869 215152647 /nfs/dbraw/zinc/15/26/47/215152647.db2.gz GVUMAKZMHPGKAN-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCCCOc1ccccc1 ZINC000339406869 215152650 /nfs/dbraw/zinc/15/26/50/215152650.db2.gz GVUMAKZMHPGKAN-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP C[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000339408138 215153318 /nfs/dbraw/zinc/15/33/18/215153318.db2.gz QKGHCXGTTSHGSR-NHYWBVRUSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000339408138 215153320 /nfs/dbraw/zinc/15/33/20/215153320.db2.gz QKGHCXGTTSHGSR-NHYWBVRUSA-N 2 1 284.806 3.081 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccnc1 ZINC000273403696 192139106 /nfs/dbraw/zinc/13/91/06/192139106.db2.gz NXGDXLMMHHNMFB-MRXNPFEDSA-N 2 1 263.429 3.243 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccnc1 ZINC000273403696 192139108 /nfs/dbraw/zinc/13/91/08/192139108.db2.gz NXGDXLMMHHNMFB-MRXNPFEDSA-N 2 1 263.429 3.243 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC1CCCC1 ZINC000358102097 233058702 /nfs/dbraw/zinc/05/87/02/233058702.db2.gz VOKJYRKSZBZEHL-UONOGXRCSA-N 2 1 263.429 3.386 20 0 CGADMP F[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000339586899 215260735 /nfs/dbraw/zinc/26/07/35/215260735.db2.gz NINYEVDTBVCXRT-DLBZAZTESA-N 2 1 276.399 3.131 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)CC[N@H+]1C ZINC000624267610 350014833 /nfs/dbraw/zinc/01/48/33/350014833.db2.gz SRPLSKBNPFETJB-MAUKXSAKSA-N 2 1 295.430 3.321 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@H]1n1ccnc1 ZINC000271282880 191048058 /nfs/dbraw/zinc/04/80/58/191048058.db2.gz PQFSPSDIMWNOHI-RHSMWYFYSA-N 2 1 294.402 3.448 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280696 191046816 /nfs/dbraw/zinc/04/68/16/191046816.db2.gz MAJNCBKOLJKADK-DOTOQJQBSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280696 191046818 /nfs/dbraw/zinc/04/68/18/191046818.db2.gz MAJNCBKOLJKADK-DOTOQJQBSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280696 191046819 /nfs/dbraw/zinc/04/68/19/191046819.db2.gz MAJNCBKOLJKADK-DOTOQJQBSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000271331046 191076996 /nfs/dbraw/zinc/07/69/96/191076996.db2.gz ARTAFAPJXSKVIU-HOCLYGCPSA-N 2 1 275.440 3.163 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000271331048 191078149 /nfs/dbraw/zinc/07/81/49/191078149.db2.gz ARTAFAPJXSKVIU-ZBFHGGJFSA-N 2 1 275.440 3.163 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCS1 ZINC000628184550 350428949 /nfs/dbraw/zinc/42/89/49/350428949.db2.gz PTRZPLUHRZJXDX-HZPDHXFCSA-N 2 1 282.497 3.080 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cnc3ccc(C)cc3c2)CC[C@@H]1[NH3+] ZINC000629528146 350703319 /nfs/dbraw/zinc/70/33/19/350703319.db2.gz QJHKRPZNFLWRLV-RDJZCZTQSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000629556439 350712870 /nfs/dbraw/zinc/71/28/70/350712870.db2.gz PRXNUIKTWZYWGA-MNOVXSKESA-N 2 1 268.351 3.059 20 0 CGADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC000629571818 350713986 /nfs/dbraw/zinc/71/39/86/350713986.db2.gz RJKCIEKQFYYLAA-OAHLLOKOSA-N 2 1 286.419 3.069 20 0 CGADMP Cc1ccc2ncc(C[NH2+][C@](C)(C[NH3+])C(C)C)cc2c1 ZINC000629513578 350699542 /nfs/dbraw/zinc/69/95/42/350699542.db2.gz HXBSTMFJKGTYEV-QGZVFWFLSA-N 2 1 271.408 3.006 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629662545 350732640 /nfs/dbraw/zinc/73/26/40/350732640.db2.gz CYYYBOZUDOFCRN-HDICACEKSA-N 2 1 284.403 3.173 20 0 CGADMP Cc1scc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000631181500 350981079 /nfs/dbraw/zinc/98/10/79/350981079.db2.gz QHVLIDYXRKDVIQ-AWEZNQCLSA-N 2 1 266.454 3.186 20 0 CGADMP c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000631648821 351105470 /nfs/dbraw/zinc/10/54/70/351105470.db2.gz RTLQWHGDAVUSMG-LPHOPBHVSA-N 2 1 299.462 3.171 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)F ZINC000631661039 351108373 /nfs/dbraw/zinc/10/83/73/351108373.db2.gz ZVVHANCXCSDUPA-HOCLYGCPSA-N 2 1 278.415 3.235 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1CCCc2ncccc21)[NH+]1CCCCC1 ZINC000631618181 351092244 /nfs/dbraw/zinc/09/22/44/351092244.db2.gz RRFXMOKSQOALGY-MAUKXSAKSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)[C@H]1CC[NH3+] ZINC000634688410 351573825 /nfs/dbraw/zinc/57/38/25/351573825.db2.gz ROSKRQUBYMWPII-KDOFPFPSSA-N 2 1 283.419 3.184 20 0 CGADMP CC[C@@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H]1CCCC[NH2+]1 ZINC000635011260 351629785 /nfs/dbraw/zinc/62/97/85/351629785.db2.gz DJINIDBSQSZGNU-WBVHZDCISA-N 2 1 271.408 3.178 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000635011900 351629806 /nfs/dbraw/zinc/62/98/06/351629806.db2.gz QAXKZEDEIULSML-NHYWBVRUSA-N 2 1 294.389 3.320 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000635010938 351629920 /nfs/dbraw/zinc/62/99/20/351629920.db2.gz LOPDMEFRKPMYAI-CHWSQXEVSA-N 2 1 264.413 3.271 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123632129 187101720 /nfs/dbraw/zinc/10/17/20/187101720.db2.gz MEFGOJRIDPMJFZ-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123632129 187101721 /nfs/dbraw/zinc/10/17/21/187101721.db2.gz MEFGOJRIDPMJFZ-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123632129 187101722 /nfs/dbraw/zinc/10/17/22/187101722.db2.gz MEFGOJRIDPMJFZ-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123632129 187101723 /nfs/dbraw/zinc/10/17/23/187101723.db2.gz MEFGOJRIDPMJFZ-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000271476106 191159610 /nfs/dbraw/zinc/15/96/10/191159610.db2.gz MODZZYSLHMLYHI-DVOMOZLQSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000271476106 191159613 /nfs/dbraw/zinc/15/96/13/191159613.db2.gz MODZZYSLHMLYHI-DVOMOZLQSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@H]1c1ccccc1 ZINC000364115342 234021118 /nfs/dbraw/zinc/02/11/18/234021118.db2.gz YTASSFIRSYVLLF-BMGDILEWSA-N 2 1 270.420 3.030 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000292053979 198147862 /nfs/dbraw/zinc/14/78/62/198147862.db2.gz BUXVOGDMLIVSPD-QZTJIDSGSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000292053979 198147863 /nfs/dbraw/zinc/14/78/63/198147863.db2.gz BUXVOGDMLIVSPD-QZTJIDSGSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000292053979 198147865 /nfs/dbraw/zinc/14/78/65/198147865.db2.gz BUXVOGDMLIVSPD-QZTJIDSGSA-N 2 1 270.420 3.092 20 0 CGADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000366690441 234184136 /nfs/dbraw/zinc/18/41/36/234184136.db2.gz AMJIZGFDXSHNMD-MOPGFXCFSA-N 2 1 284.447 3.483 20 0 CGADMP Cc1cc([C@@H](C)NCc2cnc3n2CCCC3)c(C)o1 ZINC000367440080 234215226 /nfs/dbraw/zinc/21/52/26/234215226.db2.gz ZJQJMTGAMGCCJL-GFCCVEGCSA-N 2 1 273.380 3.280 20 0 CGADMP c1coc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000367958985 234263117 /nfs/dbraw/zinc/26/31/17/234263117.db2.gz FLLAWXUIRNBZKH-QZTJIDSGSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000367958985 234263121 /nfs/dbraw/zinc/26/31/21/234263121.db2.gz FLLAWXUIRNBZKH-QZTJIDSGSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000367958985 234263124 /nfs/dbraw/zinc/26/31/24/234263124.db2.gz FLLAWXUIRNBZKH-QZTJIDSGSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000367958985 234263128 /nfs/dbraw/zinc/26/31/28/234263128.db2.gz FLLAWXUIRNBZKH-QZTJIDSGSA-N 2 1 296.414 3.234 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000271658620 191264633 /nfs/dbraw/zinc/26/46/33/191264633.db2.gz GJNYQWYKKQQBBI-OLZOCXBDSA-N 2 1 298.377 3.423 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1OC(F)F ZINC000271658620 191264636 /nfs/dbraw/zinc/26/46/36/191264636.db2.gz GJNYQWYKKQQBBI-OLZOCXBDSA-N 2 1 298.377 3.423 20 0 CGADMP C[C@@H]1C[C@H](NCc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000155161566 188187333 /nfs/dbraw/zinc/18/73/33/188187333.db2.gz GSPGSDIMNCICFP-ZYHUDNBSSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CCN1C ZINC000155161566 188187334 /nfs/dbraw/zinc/18/73/34/188187334.db2.gz GSPGSDIMNCICFP-ZYHUDNBSSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000155161566 188187336 /nfs/dbraw/zinc/18/73/36/188187336.db2.gz GSPGSDIMNCICFP-ZYHUDNBSSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000155161566 188187337 /nfs/dbraw/zinc/18/73/37/188187337.db2.gz GSPGSDIMNCICFP-ZYHUDNBSSA-N 2 1 270.779 3.051 20 0 CGADMP COCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157018171 188293597 /nfs/dbraw/zinc/29/35/97/188293597.db2.gz ZSNDRLQEHWSOEF-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157018171 188293598 /nfs/dbraw/zinc/29/35/98/188293598.db2.gz ZSNDRLQEHWSOEF-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157018171 188293600 /nfs/dbraw/zinc/29/36/00/188293600.db2.gz ZSNDRLQEHWSOEF-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157018171 188293601 /nfs/dbraw/zinc/29/36/01/188293601.db2.gz ZSNDRLQEHWSOEF-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000157080975 188295712 /nfs/dbraw/zinc/29/57/12/188295712.db2.gz YJLSBHKCGMFNOZ-XJKCOSOUSA-N 2 1 280.843 3.201 20 0 CGADMP CCSc1cccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292730143 198392383 /nfs/dbraw/zinc/39/23/83/198392383.db2.gz GCXFAFLBDIXVTB-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292730143 198392384 /nfs/dbraw/zinc/39/23/84/198392384.db2.gz GCXFAFLBDIXVTB-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292730143 198392386 /nfs/dbraw/zinc/39/23/86/198392386.db2.gz GCXFAFLBDIXVTB-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292730143 198392387 /nfs/dbraw/zinc/39/23/87/198392387.db2.gz GCXFAFLBDIXVTB-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292730143 198392389 /nfs/dbraw/zinc/39/23/89/198392389.db2.gz GCXFAFLBDIXVTB-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000078695505 283008771 /nfs/dbraw/zinc/00/87/71/283008771.db2.gz ZHDLLUKENRYVTO-CQSZACIVSA-N 2 1 285.366 3.048 20 0 CGADMP Fc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420328504 283017746 /nfs/dbraw/zinc/01/77/46/283017746.db2.gz ZOMUUIKRQQUQSZ-WMLDXEAASA-N 2 1 276.399 3.352 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000271832729 191354807 /nfs/dbraw/zinc/35/48/07/191354807.db2.gz PCMNKCYBOOQRKN-UHFFFAOYSA-N 2 1 284.325 3.057 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000271865802 191376666 /nfs/dbraw/zinc/37/66/66/191376666.db2.gz LHPQAMSAFUXARV-GOSISDBHSA-N 2 1 270.420 3.306 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1F ZINC000414076393 235330451 /nfs/dbraw/zinc/33/04/51/235330451.db2.gz QAPUUQRSODSQME-LALPHHSUSA-N 2 1 287.382 3.454 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000414172279 235354010 /nfs/dbraw/zinc/35/40/10/235354010.db2.gz DRQVFBJXQZJZJD-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414191316 235358730 /nfs/dbraw/zinc/35/87/30/235358730.db2.gz RUZXDDKCJZZFFD-SJLPKXTDSA-N 2 1 289.467 3.114 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414170420 235353204 /nfs/dbraw/zinc/35/32/04/235353204.db2.gz BZEYJEOWXUNNDO-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC1(C)C ZINC000414217472 235366660 /nfs/dbraw/zinc/36/66/60/235366660.db2.gz CMHZOVBGQYDWMQ-UAGQMJEPSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC1(C)C ZINC000414217472 235366662 /nfs/dbraw/zinc/36/66/62/235366662.db2.gz CMHZOVBGQYDWMQ-UAGQMJEPSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000414201326 235362439 /nfs/dbraw/zinc/36/24/39/235362439.db2.gz YAJTXVOEEZYJKF-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)[C@@H]2CCC[C@H]21 ZINC000453257049 283136856 /nfs/dbraw/zinc/13/68/56/283136856.db2.gz UPLGACCTGVFCJG-ZQDZILKHSA-N 2 1 286.410 3.274 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCc1cccc(F)c1)C1CCCCC1 ZINC000420353735 235743024 /nfs/dbraw/zinc/74/30/24/235743024.db2.gz ARVCILSXJKPDRS-KRWDZBQOSA-N 2 1 278.415 3.256 20 0 CGADMP C[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000111824597 138364647 /nfs/dbraw/zinc/36/46/47/138364647.db2.gz TVLDACBEYIQJJB-CQSZACIVSA-N 2 1 297.240 3.023 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124774468 138377666 /nfs/dbraw/zinc/37/76/66/138377666.db2.gz BWIRKHKOTHSIDH-CJNGLKHVSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124774468 138377667 /nfs/dbraw/zinc/37/76/67/138377667.db2.gz BWIRKHKOTHSIDH-CJNGLKHVSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124774468 138377668 /nfs/dbraw/zinc/37/76/68/138377668.db2.gz BWIRKHKOTHSIDH-CJNGLKHVSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124774468 138377669 /nfs/dbraw/zinc/37/76/69/138377669.db2.gz BWIRKHKOTHSIDH-CJNGLKHVSA-N 2 1 264.388 3.303 20 0 CGADMP C(CC1CCCCC1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125070991 138379688 /nfs/dbraw/zinc/37/96/88/138379688.db2.gz DQTTVSBLLZSDKL-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125346330 138381365 /nfs/dbraw/zinc/38/13/65/138381365.db2.gz SBMUFNFOBZUJFX-KTMIJUKYSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125346330 138381366 /nfs/dbraw/zinc/38/13/66/138381366.db2.gz SBMUFNFOBZUJFX-KTMIJUKYSA-N 2 1 280.362 3.085 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1OC(F)F ZINC000128480634 138393616 /nfs/dbraw/zinc/39/36/16/138393616.db2.gz CXUDQHKVDGAJJN-ZDUSSCGKSA-N 2 1 286.366 3.093 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OC(F)F ZINC000128480634 138393617 /nfs/dbraw/zinc/39/36/17/138393617.db2.gz CXUDQHKVDGAJJN-ZDUSSCGKSA-N 2 1 286.366 3.093 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000128498094 138393797 /nfs/dbraw/zinc/39/37/97/138393797.db2.gz PAENHZBEWZIWHW-AWEZNQCLSA-N 2 1 286.366 3.093 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)ccc1SC ZINC000423259518 236011899 /nfs/dbraw/zinc/01/18/99/236011899.db2.gz FDSMVQODODXCDN-JSGCOSHPSA-N 2 1 296.480 3.441 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423264599 236013791 /nfs/dbraw/zinc/01/37/91/236013791.db2.gz AJAJOQYYVBQHJR-SDBXPKJASA-N 2 1 273.207 3.381 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]([NH3+])C(C)C)CCS2 ZINC000423279480 236019942 /nfs/dbraw/zinc/01/99/42/236019942.db2.gz SAHQWTOIILNVBX-LSDHHAIUSA-N 2 1 278.465 3.413 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000423310406 236033821 /nfs/dbraw/zinc/03/38/21/236033821.db2.gz AIWOGZYSISPEMY-IAGOWNOFSA-N 2 1 276.399 3.384 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)C1CC1 ZINC000423313913 236034433 /nfs/dbraw/zinc/03/44/33/236034433.db2.gz GJFIKCVXSAMHNA-MOPGFXCFSA-N 2 1 298.405 3.436 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000423388171 236060124 /nfs/dbraw/zinc/06/01/24/236060124.db2.gz NDZDOWALYIRBKT-SQNIBIBYSA-N 2 1 299.393 3.170 20 0 CGADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000423395957 236061778 /nfs/dbraw/zinc/06/17/78/236061778.db2.gz TXZZGXUDPLLNLS-GMXVVIOVSA-N 2 1 282.428 3.339 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cs1 ZINC000423494998 236085850 /nfs/dbraw/zinc/08/58/50/236085850.db2.gz BGFJLTZNWSXFBV-FZMZJTMJSA-N 2 1 252.427 3.225 20 0 CGADMP Cc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)C2CCC2)o1 ZINC000423549556 236097770 /nfs/dbraw/zinc/09/77/70/236097770.db2.gz HSFGWXWFVSVPNZ-MRXNPFEDSA-N 2 1 262.397 3.161 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCCC1CCCC1)CC[NH2+]CC2 ZINC000424283712 236142385 /nfs/dbraw/zinc/14/23/85/236142385.db2.gz BOYZHNWNJMCNFU-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC45CC5)[C@H]3C2)cc1 ZINC000424332459 236150974 /nfs/dbraw/zinc/15/09/74/236150974.db2.gz WKMVWRQYADUFPE-VJANTYMQSA-N 2 1 296.458 3.429 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000424333777 236152029 /nfs/dbraw/zinc/15/20/29/236152029.db2.gz MUPDKDAODZVNFT-HUUCEWRRSA-N 2 1 287.432 3.170 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427121813 236323212 /nfs/dbraw/zinc/32/32/12/236323212.db2.gz LVTYHBLAOYFJCJ-HIFRSBDPSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1cccc(NCCNc2cc(C)[nH+]c3ccccc23)[nH+]1 ZINC000427370811 236328361 /nfs/dbraw/zinc/32/83/61/236328361.db2.gz VXPQVZBQTSIIMJ-UHFFFAOYSA-N 2 1 292.386 3.193 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000294707207 199145049 /nfs/dbraw/zinc/14/50/49/199145049.db2.gz BDJRJZIOSNGDKU-AWEZNQCLSA-N 2 1 266.454 3.267 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000178098242 299288936 /nfs/dbraw/zinc/28/89/36/299288936.db2.gz PSTXRBAAAAZEDI-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000341388172 215948760 /nfs/dbraw/zinc/94/87/60/215948760.db2.gz VAPRBIGNILDHIP-OAHLLOKOSA-N 2 1 292.471 3.127 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000436272533 237063238 /nfs/dbraw/zinc/06/32/38/237063238.db2.gz GPILBEGPUOIWQP-KZNAEPCWSA-N 2 1 272.436 3.253 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CCCCC1 ZINC000414855544 283495707 /nfs/dbraw/zinc/49/57/07/283495707.db2.gz WYFPNQJVLSBZEL-BBWFWOEESA-N 2 1 264.457 3.452 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccncc2CC)CC1 ZINC000341896643 216143333 /nfs/dbraw/zinc/14/33/33/216143333.db2.gz HCYXFLBUTWYTMI-AWEZNQCLSA-N 2 1 275.440 3.169 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178538831 189125596 /nfs/dbraw/zinc/12/55/96/189125596.db2.gz VJOPHXKNLHMHID-HNNXBMFYSA-N 2 1 284.403 3.351 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178538831 189125597 /nfs/dbraw/zinc/12/55/97/189125597.db2.gz VJOPHXKNLHMHID-HNNXBMFYSA-N 2 1 284.403 3.351 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCC1 ZINC000178619855 189131518 /nfs/dbraw/zinc/13/15/18/189131518.db2.gz XHCINXDKPORZBE-AEFFLSMTSA-N 2 1 286.463 3.329 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178699779 189138078 /nfs/dbraw/zinc/13/80/78/189138078.db2.gz VRXHBKCRYBELBB-ZIAGYGMSSA-N 2 1 287.407 3.187 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000178707072 189138735 /nfs/dbraw/zinc/13/87/35/189138735.db2.gz ULQFNCYPKZLXQF-GJZGRUSLSA-N 2 1 271.408 3.487 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1F ZINC000179009803 189161631 /nfs/dbraw/zinc/16/16/31/189161631.db2.gz JMXWVEFMAIWZDC-LLVKDONJSA-N 2 1 295.789 3.410 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178957781 189157204 /nfs/dbraw/zinc/15/72/04/189157204.db2.gz OUZNXJUHDTVXDN-KRWDZBQOSA-N 2 1 258.409 3.132 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000179519134 189199222 /nfs/dbraw/zinc/19/92/22/189199222.db2.gz OEWJPEOJHFAUMD-ZIAGYGMSSA-N 2 1 292.854 3.444 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000181182024 189290343 /nfs/dbraw/zinc/29/03/43/189290343.db2.gz ORDXWVOXARXCTR-MJBXVCDLSA-N 2 1 296.842 3.180 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608780 189364352 /nfs/dbraw/zinc/36/43/52/189364352.db2.gz FYQYMEWAJNVZIL-WBVHZDCISA-N 2 1 298.434 3.007 20 0 CGADMP CCc1cc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302027336 201306959 /nfs/dbraw/zinc/30/69/59/201306959.db2.gz AIWVVGKBWWGYNJ-CQSZACIVSA-N 2 1 298.434 3.280 20 0 CGADMP CCc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302027336 201306961 /nfs/dbraw/zinc/30/69/61/201306961.db2.gz AIWVVGKBWWGYNJ-CQSZACIVSA-N 2 1 298.434 3.280 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](C)c1ccccc1 ZINC000119657915 370696401 /nfs/dbraw/zinc/69/64/01/370696401.db2.gz ATIZDRUUABCADJ-LSDHHAIUSA-N 2 1 272.436 3.395 20 0 CGADMP CSCC1CCC([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000449162169 239212041 /nfs/dbraw/zinc/21/20/41/239212041.db2.gz IBXCCZOPSVCPIU-UHFFFAOYSA-N 2 1 295.496 3.483 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119696679 370699241 /nfs/dbraw/zinc/69/92/41/370699241.db2.gz VKCNTIJWIPHXSN-HNNXBMFYSA-N 2 1 272.436 3.142 20 0 CGADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450876376 240130425 /nfs/dbraw/zinc/13/04/25/240130425.db2.gz PKCOKHQYMHNBNL-IBGZPJMESA-N 2 1 299.462 3.336 20 0 CGADMP CC(C)C[C@@]1(C)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000451287139 240265690 /nfs/dbraw/zinc/26/56/90/240265690.db2.gz FJKUVFOQZOWKNB-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@@]1(C)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000451287139 240265699 /nfs/dbraw/zinc/26/56/99/240265699.db2.gz FJKUVFOQZOWKNB-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@@]1(C)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000451287139 240265703 /nfs/dbraw/zinc/26/57/03/240265703.db2.gz FJKUVFOQZOWKNB-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275357825 193009293 /nfs/dbraw/zinc/00/92/93/193009293.db2.gz APKUDYKZFOQLOV-WMZOPIPTSA-N 2 1 297.446 3.365 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1F ZINC000275396942 193021972 /nfs/dbraw/zinc/02/19/72/193021972.db2.gz CFOPVIGJNIQPMB-RYUDHWBXSA-N 2 1 291.345 3.075 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275499549 193059368 /nfs/dbraw/zinc/05/93/68/193059368.db2.gz MBHFSVYHEXFHNS-IAGOWNOFSA-N 2 1 269.392 3.117 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2n1 ZINC000275624290 193088398 /nfs/dbraw/zinc/08/83/98/193088398.db2.gz PEEXTOUFOASMLY-MOPGFXCFSA-N 2 1 295.430 3.260 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2n1 ZINC000275624290 193088399 /nfs/dbraw/zinc/08/83/99/193088399.db2.gz PEEXTOUFOASMLY-MOPGFXCFSA-N 2 1 295.430 3.260 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000275590806 193081818 /nfs/dbraw/zinc/08/18/18/193081818.db2.gz JVEWLWKXVNMLCJ-CRAIPNDOSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000275590806 193081820 /nfs/dbraw/zinc/08/18/20/193081820.db2.gz JVEWLWKXVNMLCJ-CRAIPNDOSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000275590806 193081822 /nfs/dbraw/zinc/08/18/22/193081822.db2.gz JVEWLWKXVNMLCJ-CRAIPNDOSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000275590806 193081823 /nfs/dbraw/zinc/08/18/23/193081823.db2.gz JVEWLWKXVNMLCJ-CRAIPNDOSA-N 2 1 290.451 3.246 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275728689 193114513 /nfs/dbraw/zinc/11/45/13/193114513.db2.gz ZQRVRIRQDHQGPO-SJLPKXTDSA-N 2 1 297.446 3.365 20 0 CGADMP CCC(CC)c1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000121112336 370831230 /nfs/dbraw/zinc/83/12/30/370831230.db2.gz GWMBKHASOFNHBC-OCCSQVGLSA-N 2 1 279.428 3.151 20 0 CGADMP CC[NH+]1CCC(NCc2c(C)oc3ccccc32)CC1 ZINC000121274236 370846064 /nfs/dbraw/zinc/84/60/64/370846064.db2.gz LSHMJNOKLDRNDZ-UHFFFAOYSA-N 2 1 272.392 3.315 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1nccc2ccccc21 ZINC000424369769 299370738 /nfs/dbraw/zinc/37/07/38/299370738.db2.gz CKCAGBHFUJBXMC-APHBMKBZSA-N 2 1 269.392 3.155 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2CC2)cc1 ZINC000459551743 242128874 /nfs/dbraw/zinc/12/88/74/242128874.db2.gz OVSGOZHDQANMEE-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2CC2)cc1 ZINC000459551743 242128878 /nfs/dbraw/zinc/12/88/78/242128878.db2.gz OVSGOZHDQANMEE-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459551743 242128883 /nfs/dbraw/zinc/12/88/83/242128883.db2.gz OVSGOZHDQANMEE-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459551743 242128898 /nfs/dbraw/zinc/12/88/98/242128898.db2.gz OVSGOZHDQANMEE-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2CC2)cc1 ZINC000459551744 242129731 /nfs/dbraw/zinc/12/97/31/242129731.db2.gz OVSGOZHDQANMEE-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2CC2)cc1 ZINC000459551744 242129735 /nfs/dbraw/zinc/12/97/35/242129735.db2.gz OVSGOZHDQANMEE-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459551744 242129737 /nfs/dbraw/zinc/12/97/37/242129737.db2.gz OVSGOZHDQANMEE-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459551744 242129740 /nfs/dbraw/zinc/12/97/40/242129740.db2.gz OVSGOZHDQANMEE-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000459733187 242196325 /nfs/dbraw/zinc/19/63/25/242196325.db2.gz NFHMTGZGLNYLLM-OUMXJLHTSA-N 2 1 276.399 3.160 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H](C)CC[NH+](C)C)[nH+]c2c1 ZINC000460937268 242288033 /nfs/dbraw/zinc/28/80/33/242288033.db2.gz HLJYBJFOADHLRS-CQSZACIVSA-N 2 1 271.408 3.026 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000462687869 242358202 /nfs/dbraw/zinc/35/82/02/242358202.db2.gz RZKDUQNTFDSLNF-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000462687869 242358206 /nfs/dbraw/zinc/35/82/06/242358206.db2.gz RZKDUQNTFDSLNF-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000462747261 242361167 /nfs/dbraw/zinc/36/11/67/242361167.db2.gz CLSRILJBJYUFTB-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000462747261 242361173 /nfs/dbraw/zinc/36/11/73/242361173.db2.gz CLSRILJBJYUFTB-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1oc2ccccc2c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000121785088 370895821 /nfs/dbraw/zinc/89/58/21/370895821.db2.gz YCLXKPQSSWWFBK-UHFFFAOYSA-N 2 1 272.392 3.267 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)[C@H](C)C1 ZINC000477867542 243059392 /nfs/dbraw/zinc/05/93/92/243059392.db2.gz UDOREAPJZGWSDR-IKGGRYGDSA-N 2 1 294.483 3.188 20 0 CGADMP CCCc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000479562081 243112387 /nfs/dbraw/zinc/11/23/87/243112387.db2.gz WZUPFJAAMKSKGG-ROUUACIJSA-N 2 1 272.436 3.356 20 0 CGADMP CCCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000479562081 243112390 /nfs/dbraw/zinc/11/23/90/243112390.db2.gz WZUPFJAAMKSKGG-ROUUACIJSA-N 2 1 272.436 3.356 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000478282781 243072263 /nfs/dbraw/zinc/07/22/63/243072263.db2.gz QPDGSCPIKHQYGD-CRAIPNDOSA-N 2 1 281.403 3.059 20 0 CGADMP C[C@H](C[NH2+]CC1([NH+](C)C)CCCC1)Cc1ccccc1 ZINC000482206941 243219477 /nfs/dbraw/zinc/21/94/77/243219477.db2.gz JPVQGLIHGGJGHZ-INIZCTEOSA-N 2 1 274.452 3.329 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000011888760 368598445 /nfs/dbraw/zinc/59/84/45/368598445.db2.gz GUAXUJYIIAZZTP-INIZCTEOSA-N 2 1 274.452 3.416 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000126310243 370944289 /nfs/dbraw/zinc/94/42/89/370944289.db2.gz SJNSKLSUPMPVCB-DOTOQJQBSA-N 2 1 272.436 3.181 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000034958917 368984281 /nfs/dbraw/zinc/98/42/81/368984281.db2.gz NDXBELWPQBDHHO-RJPYNODJSA-N 2 1 262.372 3.102 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000035450943 369003205 /nfs/dbraw/zinc/00/32/05/369003205.db2.gz SQJUPKJVEOBVJZ-HOTGVXAUSA-N 2 1 278.440 3.455 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000037643715 369093011 /nfs/dbraw/zinc/09/30/11/369093011.db2.gz ZGZAPMHKCANJCD-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037648865 369094755 /nfs/dbraw/zinc/09/47/55/369094755.db2.gz RQRJZADIWUZDCW-CABCVRRESA-N 2 1 258.409 3.130 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)o1 ZINC000037648963 369095914 /nfs/dbraw/zinc/09/59/14/369095914.db2.gz PIELYJYXQPGWCS-TZMCWYRMSA-N 2 1 262.397 3.031 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)s1 ZINC000038001795 369137631 /nfs/dbraw/zinc/13/76/31/369137631.db2.gz ZNNSZHYVKUHXSR-VIFPVBQESA-N 2 1 291.258 3.113 20 0 CGADMP CCn1cc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)cn1 ZINC000044499688 369264030 /nfs/dbraw/zinc/26/40/30/369264030.db2.gz CIFOWHTYCLXFDH-OAHLLOKOSA-N 2 1 292.471 3.208 20 0 CGADMP CCn1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000044499688 369264033 /nfs/dbraw/zinc/26/40/33/369264033.db2.gz CIFOWHTYCLXFDH-OAHLLOKOSA-N 2 1 292.471 3.208 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000044527608 369264375 /nfs/dbraw/zinc/26/43/75/369264375.db2.gz MHZDRWYYYSVKAZ-AWEZNQCLSA-N 2 1 278.399 3.427 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc2[nH]ccc21 ZINC000494105436 244262249 /nfs/dbraw/zinc/26/22/49/244262249.db2.gz IKSQKQIDQWASPT-OAHLLOKOSA-N 2 1 271.408 3.084 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000049717075 369414954 /nfs/dbraw/zinc/41/49/54/369414954.db2.gz ZGOAOEJFSQANJU-GFCCVEGCSA-N 2 1 252.427 3.131 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000050339458 369436398 /nfs/dbraw/zinc/43/63/98/369436398.db2.gz NSEWHWDBQSGWPW-LBPRGKRZSA-N 2 1 252.427 3.273 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000060264889 369585483 /nfs/dbraw/zinc/58/54/83/369585483.db2.gz PWXYBZBHMAJNCG-UHFFFAOYSA-N 2 1 283.297 3.000 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000062077725 369617457 /nfs/dbraw/zinc/61/74/57/369617457.db2.gz YTCAMJVBQNTABQ-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(Cl)c1 ZINC000276519024 193364738 /nfs/dbraw/zinc/36/47/38/193364738.db2.gz BVNGDKYDUKSLAM-JTQLQIEISA-N 2 1 281.762 3.106 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358468365 296149268 /nfs/dbraw/zinc/14/92/68/296149268.db2.gz NFUMJABGLCCTJY-TWMKSMIVSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1OC(C)C ZINC000069754090 369770797 /nfs/dbraw/zinc/77/07/97/369770797.db2.gz VRDVXVUDQDTEHU-UHFFFAOYSA-N 2 1 287.407 3.159 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000070169455 369786190 /nfs/dbraw/zinc/78/61/90/369786190.db2.gz HKKRVSCOCVEFQF-HNNXBMFYSA-N 2 1 268.404 3.401 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000076001149 369925167 /nfs/dbraw/zinc/92/51/67/369925167.db2.gz MFEIBYXOYYMIOC-QGZVFWFLSA-N 2 1 290.451 3.119 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164016 370031542 /nfs/dbraw/zinc/03/15/42/370031542.db2.gz TZCPVBOHCWKABH-HNSVSWJLSA-N 2 1 288.435 3.361 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164016 370031546 /nfs/dbraw/zinc/03/15/46/370031546.db2.gz TZCPVBOHCWKABH-HNSVSWJLSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C1CCCC1 ZINC000089425860 370041554 /nfs/dbraw/zinc/04/15/54/370041554.db2.gz KIJSVCYLNVOETE-HZPDHXFCSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000089425860 370041557 /nfs/dbraw/zinc/04/15/57/370041557.db2.gz KIJSVCYLNVOETE-HZPDHXFCSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000089425860 370041562 /nfs/dbraw/zinc/04/15/62/370041562.db2.gz KIJSVCYLNVOETE-HZPDHXFCSA-N 2 1 250.430 3.125 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)CC[N@H+]1C ZINC000090720827 370065095 /nfs/dbraw/zinc/06/50/95/370065095.db2.gz UFUMQCPXFNEWHT-BXUZGUMPSA-N 2 1 297.240 3.021 20 0 CGADMP C[C@H](C[NH2+]Cc1cc(Cl)cs1)C[NH+]1CCCC1 ZINC000093095058 370109597 /nfs/dbraw/zinc/10/95/97/370109597.db2.gz KXISFTAFFQYMOX-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)[nH]1 ZINC000093604582 370146383 /nfs/dbraw/zinc/14/63/83/370146383.db2.gz GCZAPHAHZNZONE-OAHLLOKOSA-N 2 1 283.419 3.086 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sccc2C)[C@H](C)C1 ZINC000093639035 370151113 /nfs/dbraw/zinc/15/11/13/370151113.db2.gz BLKLOVAGGATWFR-ZIAGYGMSSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sccc2C)[C@H](C)C1 ZINC000093639035 370151118 /nfs/dbraw/zinc/15/11/18/370151118.db2.gz BLKLOVAGGATWFR-ZIAGYGMSSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sccc2C)[C@H](C)C1 ZINC000093639035 370151123 /nfs/dbraw/zinc/15/11/23/370151123.db2.gz BLKLOVAGGATWFR-ZIAGYGMSSA-N 2 1 266.454 3.219 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2sccc2C)C1 ZINC000093742152 370156684 /nfs/dbraw/zinc/15/66/84/370156684.db2.gz MKXDWQCNBXRYKF-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2sccc2C)C1 ZINC000093742152 370156687 /nfs/dbraw/zinc/15/66/87/370156687.db2.gz MKXDWQCNBXRYKF-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000093742152 370156693 /nfs/dbraw/zinc/15/66/93/370156693.db2.gz MKXDWQCNBXRYKF-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC(C)C)CC2)cs1 ZINC000109040275 370360140 /nfs/dbraw/zinc/36/01/40/370360140.db2.gz NCIYWAGTNLQLOZ-UHFFFAOYSA-N 2 1 295.496 3.163 20 0 CGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc[nH]c2)C[N@H+]1Cc1ccccc1 ZINC000513504748 245082941 /nfs/dbraw/zinc/08/29/41/245082941.db2.gz FHSJQMITXXWMEI-SJLPKXTDSA-N 2 1 297.446 3.405 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)[C@H]2CCC[C@H]21 ZINC000513691194 245092353 /nfs/dbraw/zinc/09/23/53/245092353.db2.gz SLHWCPVSCNDXDX-HZSPNIEDSA-N 2 1 298.883 3.406 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000116998815 370576992 /nfs/dbraw/zinc/57/69/92/370576992.db2.gz YLUZCFQNYNBUFD-SFHVURJKSA-N 2 1 266.388 3.277 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000116998815 370576998 /nfs/dbraw/zinc/57/69/98/370576998.db2.gz YLUZCFQNYNBUFD-SFHVURJKSA-N 2 1 266.388 3.277 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000129580507 370993630 /nfs/dbraw/zinc/99/36/30/370993630.db2.gz PMPWWEDNFZUPIF-SLEUVZQESA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000129580507 370993634 /nfs/dbraw/zinc/99/36/34/370993634.db2.gz PMPWWEDNFZUPIF-SLEUVZQESA-N 2 1 266.816 3.473 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000130468101 371036162 /nfs/dbraw/zinc/03/61/62/371036162.db2.gz VEPFJOBFSDABSF-JQHSSLGASA-N 2 1 284.447 3.397 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000132081034 371150419 /nfs/dbraw/zinc/15/04/19/371150419.db2.gz WOHJKWDIXTUTQN-GJZGRUSLSA-N 2 1 258.390 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000134758621 371362385 /nfs/dbraw/zinc/36/23/85/371362385.db2.gz LYVIAEMMNSEDGP-INIZCTEOSA-N 2 1 272.436 3.178 20 0 CGADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000134758621 371362388 /nfs/dbraw/zinc/36/23/88/371362388.db2.gz LYVIAEMMNSEDGP-INIZCTEOSA-N 2 1 272.436 3.178 20 0 CGADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134926001 371377163 /nfs/dbraw/zinc/37/71/63/371377163.db2.gz HPVZKYMPUSMTIM-HDMKZQKVSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134926001 371377166 /nfs/dbraw/zinc/37/71/66/371377166.db2.gz HPVZKYMPUSMTIM-HDMKZQKVSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134926001 371377171 /nfs/dbraw/zinc/37/71/71/371377171.db2.gz HPVZKYMPUSMTIM-HDMKZQKVSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134926001 371377176 /nfs/dbraw/zinc/37/71/76/371377176.db2.gz HPVZKYMPUSMTIM-HDMKZQKVSA-N 2 1 285.435 3.091 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000336804112 213664753 /nfs/dbraw/zinc/66/47/53/213664753.db2.gz IYWBKKAKAOEEMS-QLFBSQMISA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000336804112 213664754 /nfs/dbraw/zinc/66/47/54/213664754.db2.gz IYWBKKAKAOEEMS-QLFBSQMISA-N 2 1 263.429 3.338 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CC1 ZINC000151167918 371578180 /nfs/dbraw/zinc/57/81/80/371578180.db2.gz NELVCXYXRSDSGY-CVEARBPZSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CC1 ZINC000151167918 371578192 /nfs/dbraw/zinc/57/81/92/371578192.db2.gz NELVCXYXRSDSGY-CVEARBPZSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)SCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000287199981 371618369 /nfs/dbraw/zinc/61/83/69/371618369.db2.gz WHPOEGYEDCLUDX-UHFFFAOYSA-N 2 1 292.492 3.382 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000220210446 376208126 /nfs/dbraw/zinc/20/81/26/376208126.db2.gz NYZIITZETPNMBM-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1F ZINC000151925688 371651639 /nfs/dbraw/zinc/65/16/39/371651639.db2.gz YEHLCLJXGQGXOS-NSHDSACASA-N 2 1 270.417 3.150 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000152411491 371693817 /nfs/dbraw/zinc/69/38/17/371693817.db2.gz VCMPATARBFSVHZ-CJNGLKHVSA-N 2 1 288.435 3.367 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152446927 371696074 /nfs/dbraw/zinc/69/60/74/371696074.db2.gz HONOKJCIGCUHFS-DZKIICNBSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c2ccccc2n1 ZINC000152449041 371696449 /nfs/dbraw/zinc/69/64/49/371696449.db2.gz QKSOIKQXWSEJOO-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c2ccccc2n1 ZINC000152449041 371696455 /nfs/dbraw/zinc/69/64/55/371696455.db2.gz QKSOIKQXWSEJOO-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c2ccccc2n1 ZINC000152449041 371696473 /nfs/dbraw/zinc/69/64/73/371696473.db2.gz QKSOIKQXWSEJOO-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CN(Cc1ncc(-c2ccccc2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152466565 371697975 /nfs/dbraw/zinc/69/79/75/371697975.db2.gz DXOULRIVXTVUIV-OAHLLOKOSA-N 2 1 299.418 3.115 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(C)cc2)[C@H](C)C1 ZINC000152947528 371738291 /nfs/dbraw/zinc/73/82/91/371738291.db2.gz XHWIXUNILSSNNN-AEFFLSMTSA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000337347643 214020982 /nfs/dbraw/zinc/02/09/82/214020982.db2.gz XUZBRTWZFVZVEW-OAHLLOKOSA-N 2 1 270.461 3.044 20 0 CGADMP c1ccc2cc(OCC[NH+]3CCC4(CC[NH2+]4)CC3)ccc2c1 ZINC000422641633 371755329 /nfs/dbraw/zinc/75/53/29/371755329.db2.gz YDRCYJUXNLVXQL-UHFFFAOYSA-N 2 1 296.414 3.047 20 0 CGADMP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000422713608 371763404 /nfs/dbraw/zinc/76/34/04/371763404.db2.gz PUVJBJWEDWCSKH-IACUBPJLSA-N 2 1 286.341 3.268 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422733645 371772470 /nfs/dbraw/zinc/77/24/70/371772470.db2.gz BQGDWNZIOLHYEA-FGTMMUONSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422733645 371772477 /nfs/dbraw/zinc/77/24/77/371772477.db2.gz BQGDWNZIOLHYEA-FGTMMUONSA-N 3 1 295.515 3.007 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422733645 371772485 /nfs/dbraw/zinc/77/24/85/371772485.db2.gz BQGDWNZIOLHYEA-FGTMMUONSA-N 3 1 295.515 3.007 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422731910 371773335 /nfs/dbraw/zinc/77/33/35/371773335.db2.gz OFZBZNVJKZLUEF-ZWKOTPCHSA-N 2 1 284.378 3.409 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337333475 214011911 /nfs/dbraw/zinc/01/19/11/214011911.db2.gz JROMCJJQVQWDOA-FUHWJXTLSA-N 2 1 289.467 3.429 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337333475 214011914 /nfs/dbraw/zinc/01/19/14/214011914.db2.gz JROMCJJQVQWDOA-FUHWJXTLSA-N 2 1 289.467 3.429 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000422772559 371796807 /nfs/dbraw/zinc/79/68/07/371796807.db2.gz ZIAXVRNCTHFKQM-GFCCVEGCSA-N 2 1 287.382 3.262 20 0 CGADMP CC[N@@H+](Cc1ccncc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289715049 371801003 /nfs/dbraw/zinc/80/10/03/371801003.db2.gz GVQKUMMXQYJEPQ-UHFFFAOYSA-N 2 1 283.419 3.165 20 0 CGADMP Cc1ccncc1CCC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000289724080 371802424 /nfs/dbraw/zinc/80/24/24/371802424.db2.gz OOUSYWNLNVSWOH-SFHVURJKSA-N 2 1 298.434 3.283 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000422804245 371820563 /nfs/dbraw/zinc/82/05/63/371820563.db2.gz DZCPCLSYNUGNLK-RRQGHBQHSA-N 2 1 258.409 3.176 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422820757 371828612 /nfs/dbraw/zinc/82/86/12/371828612.db2.gz SDMGTCOQXWHRGT-RWMBFGLXSA-N 2 1 279.453 3.209 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1c[nH+]ccc1N ZINC000422902679 371861278 /nfs/dbraw/zinc/86/12/78/371861278.db2.gz UYBZWGHMEURWEH-GFCCVEGCSA-N 2 1 285.366 3.016 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422919932 371870390 /nfs/dbraw/zinc/87/03/90/371870390.db2.gz LAEJKGVHLJCSCJ-ZTFGCOKTSA-N 2 1 287.451 3.353 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000422930591 371877241 /nfs/dbraw/zinc/87/72/41/371877241.db2.gz VDRJTKRYAUEIBC-RBSFLKMASA-N 2 1 276.449 3.473 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940633 371881777 /nfs/dbraw/zinc/88/17/77/371881777.db2.gz HHJROGKIGWKNQI-HUUCEWRRSA-N 2 1 298.377 3.080 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccccc1F)c1c[nH+]ccc1N ZINC000422848882 371838758 /nfs/dbraw/zinc/83/87/58/371838758.db2.gz KVBRHZDURXBMMR-LBPRGKRZSA-N 2 1 287.382 3.262 20 0 CGADMP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423056542 371938065 /nfs/dbraw/zinc/93/80/65/371938065.db2.gz YHEKJKRDGOFQEP-AWEZNQCLSA-N 2 1 298.430 3.325 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423055747 371938348 /nfs/dbraw/zinc/93/83/48/371938348.db2.gz WZJMLSGZBOSCAP-LBPRGKRZSA-N 2 1 295.386 3.442 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422958576 371891174 /nfs/dbraw/zinc/89/11/74/371891174.db2.gz PNRJBRFCIGBHEW-IWCQGFGOSA-N 2 1 258.409 3.258 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCSCC(C)C ZINC000155267960 371917949 /nfs/dbraw/zinc/91/79/49/371917949.db2.gz CCKSMQLGLQBLLE-CVEARBPZSA-N 2 1 284.513 3.324 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C(F)(F)F ZINC000423046423 371931933 /nfs/dbraw/zinc/93/19/33/371931933.db2.gz DPCBNDFGWODYNV-XBFCOCLRSA-N 2 1 286.341 3.268 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423050086 371933174 /nfs/dbraw/zinc/93/31/74/371933174.db2.gz LGLOLCMKWJGRDL-HPBDAGMYSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092055 371958429 /nfs/dbraw/zinc/95/84/29/371958429.db2.gz AHIVSXBFCCWDJO-MZGVZZPPSA-N 2 1 278.827 3.174 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423096592 371961315 /nfs/dbraw/zinc/96/13/15/371961315.db2.gz PNBBLDKNYWVOAB-MZGVZZPPSA-N 2 1 278.827 3.174 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423104254 371967192 /nfs/dbraw/zinc/96/71/92/371967192.db2.gz YDAVRYBDNZVUJX-IRWJRLHMSA-N 2 1 276.399 3.049 20 0 CGADMP Clc1cc2c(s1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423119318 371977185 /nfs/dbraw/zinc/97/71/85/371977185.db2.gz CDPUORFOYSRBJJ-RXHRYUJKSA-N 2 1 282.840 3.261 20 0 CGADMP C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)c1c[nH+]ccc1N ZINC000423137724 371986430 /nfs/dbraw/zinc/98/64/30/371986430.db2.gz WYQXELFXPILYIK-SUMWQHHRSA-N 2 1 281.403 3.339 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156575496 371987209 /nfs/dbraw/zinc/98/72/09/371987209.db2.gz RRLQBEKUNRQZCT-ILXRZTDVSA-N 2 1 276.424 3.137 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156575496 371987213 /nfs/dbraw/zinc/98/72/13/371987213.db2.gz RRLQBEKUNRQZCT-ILXRZTDVSA-N 2 1 276.424 3.137 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1c[nH+]ccc1N ZINC000423165851 371998321 /nfs/dbraw/zinc/99/83/21/371998321.db2.gz QNJSYVWRRJGKLR-QWHCGFSZSA-N 2 1 261.413 3.361 20 0 CGADMP C[C@@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423163935 371998628 /nfs/dbraw/zinc/99/86/28/371998628.db2.gz RVGUPUVWRMACKP-DOMZBBRYSA-N 2 1 278.827 3.145 20 0 CGADMP COCCCC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423090636 371955604 /nfs/dbraw/zinc/95/56/04/371955604.db2.gz XYJUFRJNLCLWLQ-BPQIPLTHSA-N 2 1 290.451 3.275 20 0 CGADMP C[C@H](CC[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000290575848 372020640 /nfs/dbraw/zinc/02/06/40/372020640.db2.gz UCDMBHWQFWQKBR-JFIYKMOQSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000290575848 372020642 /nfs/dbraw/zinc/02/06/42/372020642.db2.gz UCDMBHWQFWQKBR-JFIYKMOQSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000290575848 372020645 /nfs/dbraw/zinc/02/06/45/372020645.db2.gz UCDMBHWQFWQKBR-JFIYKMOQSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000290575848 372020650 /nfs/dbraw/zinc/02/06/50/372020650.db2.gz UCDMBHWQFWQKBR-JFIYKMOQSA-N 2 1 274.452 3.452 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423202869 372027052 /nfs/dbraw/zinc/02/70/52/372027052.db2.gz RNVDMVHLIKPFGD-SECBINFHSA-N 2 1 292.757 3.202 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157541600 372027539 /nfs/dbraw/zinc/02/75/39/372027539.db2.gz NEKCTMXCVNDSQX-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157541600 372027542 /nfs/dbraw/zinc/02/75/42/372027542.db2.gz NEKCTMXCVNDSQX-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSCC(C)C)[C@H](C)C1 ZINC000157675111 372032900 /nfs/dbraw/zinc/03/29/00/372032900.db2.gz OCRRTHANUFOYRP-HZPDHXFCSA-N 2 1 286.529 3.428 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSCC(C)C)[C@H](C)C1 ZINC000157675111 372032901 /nfs/dbraw/zinc/03/29/01/372032901.db2.gz OCRRTHANUFOYRP-HZPDHXFCSA-N 2 1 286.529 3.428 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSCC(C)C)[C@H](C)C1 ZINC000157675111 372032904 /nfs/dbraw/zinc/03/29/04/372032904.db2.gz OCRRTHANUFOYRP-HZPDHXFCSA-N 2 1 286.529 3.428 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C1CCCCC1 ZINC000423260442 372044264 /nfs/dbraw/zinc/04/42/64/372044264.db2.gz HMBVKXKHJBSJNW-DLBZAZTESA-N 2 1 276.399 3.310 20 0 CGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(C)C)cc1 ZINC000423324886 372052109 /nfs/dbraw/zinc/05/21/09/372052109.db2.gz IKGIGRIILNZBAZ-JLSDUUJJSA-N 2 1 290.451 3.165 20 0 CGADMP C[C@@]1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423344843 372054392 /nfs/dbraw/zinc/05/43/92/372054392.db2.gz YIPOAHLDGCUSOV-GOEBONIOSA-N 2 1 294.439 3.342 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000158180765 372057740 /nfs/dbraw/zinc/05/77/40/372057740.db2.gz RGJVYERGSRAJMI-CHWSQXEVSA-N 2 1 293.480 3.014 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000158180765 372057749 /nfs/dbraw/zinc/05/77/49/372057749.db2.gz RGJVYERGSRAJMI-CHWSQXEVSA-N 2 1 293.480 3.014 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@H]2CCC[C@H]21 ZINC000423422873 372062216 /nfs/dbraw/zinc/06/22/16/372062216.db2.gz ZJNBJUWESFBKCU-NZSAHSFTSA-N 2 1 299.462 3.007 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cs1 ZINC000423184040 372011503 /nfs/dbraw/zinc/01/15/03/372011503.db2.gz HMBBFBLVIHNHCW-CQSZACIVSA-N 2 1 289.448 3.282 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000344186697 217089727 /nfs/dbraw/zinc/08/97/27/217089727.db2.gz MUTXLECAPSTJKX-HUUCEWRRSA-N 2 1 294.414 3.187 20 0 CGADMP COc1ccccc1[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1CCCC1 ZINC000423437139 372063731 /nfs/dbraw/zinc/06/37/31/372063731.db2.gz GCVRXSXHPHWWKE-PBFPGSCMSA-N 2 1 276.424 3.252 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423457061 372065194 /nfs/dbraw/zinc/06/51/94/372065194.db2.gz FFVFGXZXMJVYDU-CMPLNLGQSA-N 2 1 252.427 3.015 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)C1CCCC1 ZINC000423499793 372070317 /nfs/dbraw/zinc/07/03/17/372070317.db2.gz JVIRXWXSISDVQE-HOTGVXAUSA-N 2 1 278.827 3.434 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000158593519 372074717 /nfs/dbraw/zinc/07/47/17/372074717.db2.gz XXPUBUHQTBZGTE-MHORFTMASA-N 2 1 296.499 3.149 20 0 CGADMP CN(C)c1cc[nH+]cc1CNc1ccc(C2CCC2)c[nH+]1 ZINC000292940350 372254450 /nfs/dbraw/zinc/25/44/50/372254450.db2.gz HUBOLKGBFQDLTP-UHFFFAOYSA-N 2 1 282.391 3.422 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000292966180 372263585 /nfs/dbraw/zinc/26/35/85/372263585.db2.gz DBLRMYRSNVBOCN-HNNXBMFYSA-N 2 1 289.467 3.151 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000292966180 372263587 /nfs/dbraw/zinc/26/35/87/372263587.db2.gz DBLRMYRSNVBOCN-HNNXBMFYSA-N 2 1 289.467 3.151 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000162439847 372396591 /nfs/dbraw/zinc/39/65/91/372396591.db2.gz GCDVETWKKRXUNA-WMZOPIPTSA-N 2 1 274.452 3.329 20 0 CGADMP C[NH2+]C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000430919048 372404805 /nfs/dbraw/zinc/40/48/05/372404805.db2.gz OYINMWSYVFXTJB-UHFFFAOYSA-N 2 1 298.430 3.293 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000162618214 372405728 /nfs/dbraw/zinc/40/57/28/372405728.db2.gz FWMOQAQQHOBQRJ-KXBFYZLASA-N 2 1 282.431 3.312 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000344345530 217161101 /nfs/dbraw/zinc/16/11/01/217161101.db2.gz FAQPWTAPRYVHNP-GDBMZVCRSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000429435114 372365696 /nfs/dbraw/zinc/36/56/96/372365696.db2.gz IYARMDBUNSBNJF-HEHGZKQESA-N 2 1 296.842 3.037 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)oc21 ZINC000293363702 372366111 /nfs/dbraw/zinc/36/61/11/372366111.db2.gz HMKQCLLMPFBJEF-STQMWFEESA-N 2 1 290.407 3.290 20 0 CGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cnccn2)c1 ZINC000163551425 372479105 /nfs/dbraw/zinc/47/91/05/372479105.db2.gz VITHXIOKVVZBCR-HNNXBMFYSA-N 2 1 298.434 3.169 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCCCC1 ZINC000163309351 372460196 /nfs/dbraw/zinc/46/01/96/372460196.db2.gz NDMAJMPDFSETLI-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000163351459 372464131 /nfs/dbraw/zinc/46/41/31/372464131.db2.gz PDUBNJXEBXLTKV-RYUDHWBXSA-N 2 1 278.362 3.181 20 0 CGADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165301583 372547860 /nfs/dbraw/zinc/54/78/60/372547860.db2.gz LFYKHEVFJAQYGR-SJLPKXTDSA-N 2 1 274.452 3.185 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432799783 372573803 /nfs/dbraw/zinc/57/38/03/372573803.db2.gz ZOFNZRBDFFJXPY-BBWFWOEESA-N 2 1 264.457 3.395 20 0 CGADMP c1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000294118262 372586371 /nfs/dbraw/zinc/58/63/71/372586371.db2.gz KLZBDCJOIBKKLF-FHWLQOOXSA-N 2 1 284.447 3.397 20 0 CGADMP CCC(CC)C[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000344521406 217221193 /nfs/dbraw/zinc/22/11/93/217221193.db2.gz HEZKWHJPAXEAED-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000344511228 217216374 /nfs/dbraw/zinc/21/63/74/217216374.db2.gz ISQSLVKXFMCDQZ-YOEHRIQHSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000344511228 217216376 /nfs/dbraw/zinc/21/63/76/217216376.db2.gz ISQSLVKXFMCDQZ-YOEHRIQHSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@@H+](Cc1ccc(F)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435388910 372755802 /nfs/dbraw/zinc/75/58/02/372755802.db2.gz HYSQDJRQRPNDEQ-OAHLLOKOSA-N 2 1 264.388 3.098 20 0 CGADMP CCC[C@@H](C)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435387746 372755974 /nfs/dbraw/zinc/75/59/74/372755974.db2.gz BJOBAWHMNDYBAE-AEFFLSMTSA-N 2 1 289.467 3.462 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435622968 372786055 /nfs/dbraw/zinc/78/60/55/372786055.db2.gz GBOARUUZCLHATB-INIZCTEOSA-N 2 1 276.424 3.048 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435622968 372786061 /nfs/dbraw/zinc/78/60/61/372786061.db2.gz GBOARUUZCLHATB-INIZCTEOSA-N 2 1 276.424 3.048 20 0 CGADMP C[C@H]1C[C@H](N(C)Cc2cc3c(cccc3F)[nH]2)CC[N@H+]1C ZINC000438106892 372882829 /nfs/dbraw/zinc/88/28/29/372882829.db2.gz SYSHGONIXNKSRJ-GXTWGEPZSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)CCN1C ZINC000438106892 372882834 /nfs/dbraw/zinc/88/28/34/372882834.db2.gz SYSHGONIXNKSRJ-GXTWGEPZSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)CCN1C ZINC000438106892 372882841 /nfs/dbraw/zinc/88/28/41/372882841.db2.gz SYSHGONIXNKSRJ-GXTWGEPZSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)CC[N@@H+]1C ZINC000438106892 372882847 /nfs/dbraw/zinc/88/28/47/372882847.db2.gz SYSHGONIXNKSRJ-GXTWGEPZSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)CC[N@H+]1C ZINC000438106892 372882854 /nfs/dbraw/zinc/88/28/54/372882854.db2.gz SYSHGONIXNKSRJ-GXTWGEPZSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)CC[NH+]1C ZINC000438106892 372882858 /nfs/dbraw/zinc/88/28/58/372882858.db2.gz SYSHGONIXNKSRJ-GXTWGEPZSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)CC[NH+]1C ZINC000438106892 372882865 /nfs/dbraw/zinc/88/28/65/372882865.db2.gz SYSHGONIXNKSRJ-GXTWGEPZSA-N 2 1 289.398 3.222 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)s1 ZINC000172644555 373001938 /nfs/dbraw/zinc/00/19/38/373001938.db2.gz JWFZUBGAICZJAR-OAHLLOKOSA-N 2 1 278.465 3.283 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000172848936 373047229 /nfs/dbraw/zinc/04/72/29/373047229.db2.gz XGVYYZTWDBAIJQ-KSSFIOAISA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC000172848936 373047237 /nfs/dbraw/zinc/04/72/37/373047237.db2.gz XGVYYZTWDBAIJQ-KSSFIOAISA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)CC[NH+]1C ZINC000172848936 373047242 /nfs/dbraw/zinc/04/72/42/373047242.db2.gz XGVYYZTWDBAIJQ-KSSFIOAISA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)CC[NH+]1C ZINC000172848936 373047251 /nfs/dbraw/zinc/04/72/51/373047251.db2.gz XGVYYZTWDBAIJQ-KSSFIOAISA-N 2 1 272.436 3.090 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC000296371611 373109333 /nfs/dbraw/zinc/10/93/33/373109333.db2.gz JFAQWOVXXOVHIM-HMQMGEFJSA-N 2 1 273.424 3.138 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755926 373072623 /nfs/dbraw/zinc/07/26/23/373072623.db2.gz JODOEUWQXXTPIY-MGPQQGTHSA-N 2 1 285.391 3.072 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755926 373072634 /nfs/dbraw/zinc/07/26/34/373072634.db2.gz JODOEUWQXXTPIY-MGPQQGTHSA-N 2 1 285.391 3.072 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000353563012 220159899 /nfs/dbraw/zinc/15/98/99/220159899.db2.gz DOUIJZDRROKMQY-KBPBESRZSA-N 2 1 268.470 3.388 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000353563012 220159901 /nfs/dbraw/zinc/15/99/01/220159901.db2.gz DOUIJZDRROKMQY-KBPBESRZSA-N 2 1 268.470 3.388 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@@](C)(O)CC)CC1)CC(C)C ZINC000444611974 373212651 /nfs/dbraw/zinc/21/26/51/373212651.db2.gz SSHSEBGIKPCSEN-SFHVURJKSA-N 2 1 298.515 3.227 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cccc2C)C1 ZINC000173903283 373213118 /nfs/dbraw/zinc/21/31/18/373213118.db2.gz DEGIKCCCYGLCQC-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000173903283 373213122 /nfs/dbraw/zinc/21/31/22/373213122.db2.gz DEGIKCCCYGLCQC-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000173903283 373213124 /nfs/dbraw/zinc/21/31/24/373213124.db2.gz DEGIKCCCYGLCQC-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908234 373213182 /nfs/dbraw/zinc/21/31/82/373213182.db2.gz BQLFUGJGUMAMNJ-QGZVFWFLSA-N 2 1 274.452 3.385 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908234 373213186 /nfs/dbraw/zinc/21/31/86/373213186.db2.gz BQLFUGJGUMAMNJ-QGZVFWFLSA-N 2 1 274.452 3.385 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908234 373213190 /nfs/dbraw/zinc/21/31/90/373213190.db2.gz BQLFUGJGUMAMNJ-QGZVFWFLSA-N 2 1 274.452 3.385 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc2C1 ZINC000444626384 373215217 /nfs/dbraw/zinc/21/52/17/373215217.db2.gz TUIOZQKWIIWPGQ-LJQANCHMSA-N 2 1 286.463 3.352 20 0 CGADMP C[N@H+](CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000444588875 373202779 /nfs/dbraw/zinc/20/27/79/373202779.db2.gz GXMATKFMVRNQIY-UHFFFAOYSA-N 2 1 252.427 3.056 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000444588875 373202786 /nfs/dbraw/zinc/20/27/86/373202786.db2.gz GXMATKFMVRNQIY-UHFFFAOYSA-N 2 1 252.427 3.056 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444748696 373259404 /nfs/dbraw/zinc/25/94/04/373259404.db2.gz RJABZZYHBWFXDV-MRXNPFEDSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444748696 373259406 /nfs/dbraw/zinc/25/94/06/373259406.db2.gz RJABZZYHBWFXDV-MRXNPFEDSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1cc(C)c(CC[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000298341288 373297396 /nfs/dbraw/zinc/29/73/96/373297396.db2.gz JGZJVYJIHGDAKN-UHFFFAOYSA-N 2 1 286.463 3.371 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000445255211 373306298 /nfs/dbraw/zinc/30/62/98/373306298.db2.gz SEKCRFJCIPCENC-OAHLLOKOSA-N 2 1 280.431 3.420 20 0 CGADMP CC(C)Oc1cccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000298515147 373346528 /nfs/dbraw/zinc/34/65/28/373346528.db2.gz RCYHYCRAGHVZEL-AWEZNQCLSA-N 2 1 287.407 3.101 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)C1 ZINC000300316111 373623576 /nfs/dbraw/zinc/62/35/76/373623576.db2.gz NMXKFXBMNFSYMV-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000300411998 373628313 /nfs/dbraw/zinc/62/83/13/373628313.db2.gz QYCIOMHYPJIESW-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000300411998 373628320 /nfs/dbraw/zinc/62/83/20/373628320.db2.gz QYCIOMHYPJIESW-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP C[C@H](CC[NH2+][C@H](C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000177394805 373680696 /nfs/dbraw/zinc/68/06/96/373680696.db2.gz XIMQYAVWHKYJEW-HUUCEWRRSA-N 2 1 260.425 3.285 20 0 CGADMP CSCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000178394671 373772251 /nfs/dbraw/zinc/77/22/51/373772251.db2.gz SXURFLUJKSRENO-OAHLLOKOSA-N 2 1 284.513 3.326 20 0 CGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccoc1 ZINC000178401000 373773607 /nfs/dbraw/zinc/77/36/07/373773607.db2.gz GCUOLXRBLALTBS-JSGCOSHPSA-N 2 1 252.402 3.297 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CCCCCC1 ZINC000449485551 373776087 /nfs/dbraw/zinc/77/60/87/373776087.db2.gz NTBYXZBPQMVGFM-UHFFFAOYSA-N 2 1 261.413 3.208 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000178420784 373776682 /nfs/dbraw/zinc/77/66/82/373776682.db2.gz NAJCBKDTQRPMIW-OAHLLOKOSA-N 2 1 260.425 3.287 20 0 CGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449521970 373819614 /nfs/dbraw/zinc/81/96/14/373819614.db2.gz JPJHJTAAJLTHTE-MORSLUCNSA-N 2 1 299.418 3.399 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCCCC2 ZINC000178975173 373823508 /nfs/dbraw/zinc/82/35/08/373823508.db2.gz FVGOGWGACXXLFF-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000178973139 373823585 /nfs/dbraw/zinc/82/35/85/373823585.db2.gz JAXKDPAQUFTNGZ-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)CC[N@H+]1C ZINC000179497975 373881026 /nfs/dbraw/zinc/88/10/26/373881026.db2.gz ZNTULWFSZDFMQP-TZMCWYRMSA-N 2 1 294.389 3.069 20 0 CGADMP COc1ccc([C@H](C)C[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC000449769964 373899026 /nfs/dbraw/zinc/89/90/26/373899026.db2.gz HWFGKWDRYIPMTP-OAHLLOKOSA-N 2 1 290.451 3.263 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCCOc1ccccc1 ZINC000449769994 373899612 /nfs/dbraw/zinc/89/96/12/373899612.db2.gz IAFKEANPRCRAQC-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000449777561 373906087 /nfs/dbraw/zinc/90/60/87/373906087.db2.gz VKEHSOLNLOJAQA-IRXDYDNUSA-N 2 1 272.436 3.254 20 0 CGADMP CCc1ccc2[nH+]ccc(NCCCn3cc[nH+]c3C)c2c1 ZINC000450352595 374073783 /nfs/dbraw/zinc/07/37/83/374073783.db2.gz ZDEXDDWMKOTURR-UHFFFAOYSA-N 2 1 294.402 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC(=O)c2ccccc2)CCN1C ZINC000450465076 374148464 /nfs/dbraw/zinc/14/84/64/374148464.db2.gz DBKRTGIUXYTPJW-NVXWUHKLSA-N 2 1 288.435 3.064 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000309737232 374195571 /nfs/dbraw/zinc/19/55/71/374195571.db2.gz UTKQIRJHWSHZIR-UDTPNQRGSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@]1(C[NH2+]Cc2ccncc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309805745 374197378 /nfs/dbraw/zinc/19/73/78/374197378.db2.gz LBIBEZVVGDQIPB-LJQANCHMSA-N 2 1 295.430 3.083 20 0 CGADMP CCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309984213 374205730 /nfs/dbraw/zinc/20/57/30/374205730.db2.gz WPPZCOQZPSVJMZ-MSOLQXFVSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309984213 374205735 /nfs/dbraw/zinc/20/57/35/374205735.db2.gz WPPZCOQZPSVJMZ-MSOLQXFVSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309984213 374205742 /nfs/dbraw/zinc/20/57/42/374205742.db2.gz WPPZCOQZPSVJMZ-MSOLQXFVSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C[NH+](C)C ZINC000312466179 374279439 /nfs/dbraw/zinc/27/94/39/374279439.db2.gz FYUNUYZWMUNFQD-SNVBAGLBSA-N 2 1 292.320 3.132 20 0 CGADMP CC(C)CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000311354227 374239290 /nfs/dbraw/zinc/23/92/90/374239290.db2.gz ACNXYTVMUJUJIS-PBHICJAKSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700415 374335882 /nfs/dbraw/zinc/33/58/82/374335882.db2.gz BWPSWVCYQAQEKX-VYDXJSESSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700415 374335886 /nfs/dbraw/zinc/33/58/86/374335886.db2.gz BWPSWVCYQAQEKX-VYDXJSESSA-N 3 1 298.434 3.006 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182914166 374340576 /nfs/dbraw/zinc/34/05/76/374340576.db2.gz CCNNQDYVTQGGIR-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228746 374370257 /nfs/dbraw/zinc/37/02/57/374370257.db2.gz BYMUYTSMDIHTQV-YMRXKLBXSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228746 374370263 /nfs/dbraw/zinc/37/02/63/374370263.db2.gz BYMUYTSMDIHTQV-YMRXKLBXSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000453357994 374445766 /nfs/dbraw/zinc/44/57/66/374445766.db2.gz JPTNLYTUIQAJFX-BBRMVZONSA-N 2 1 292.854 3.487 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000453357994 374445769 /nfs/dbraw/zinc/44/57/69/374445769.db2.gz JPTNLYTUIQAJFX-BBRMVZONSA-N 2 1 292.854 3.487 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086904459 541940534 /nfs/dbraw/zinc/94/05/34/541940534.db2.gz KAEZTXTXOYKGNC-OWCLPIDISA-N 2 1 264.457 3.419 20 0 CGADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1C(C)C ZINC000453369601 374455915 /nfs/dbraw/zinc/45/59/15/374455915.db2.gz VDYWQZXSKWGUCG-WWTUQBGBSA-N 2 1 290.455 3.048 20 0 CGADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1C(C)C ZINC000453369601 374455923 /nfs/dbraw/zinc/45/59/23/374455923.db2.gz VDYWQZXSKWGUCG-WWTUQBGBSA-N 2 1 290.455 3.048 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000453387866 374472972 /nfs/dbraw/zinc/47/29/72/374472972.db2.gz BNFDDJXFYILKKW-CQSZACIVSA-N 2 1 293.480 3.293 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453407100 374475171 /nfs/dbraw/zinc/47/51/71/374475171.db2.gz RURSMTNPQMZIHL-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP Clc1ccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000089541415 541953270 /nfs/dbraw/zinc/95/32/70/541953270.db2.gz KRUICSIBRYOJBE-DLBZAZTESA-N 2 1 292.854 3.489 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000090400680 541958894 /nfs/dbraw/zinc/95/88/94/541958894.db2.gz MIMBTKMJHHMBCF-CYBMUJFWSA-N 2 1 281.469 3.224 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)s1 ZINC000090402088 541959616 /nfs/dbraw/zinc/95/96/16/541959616.db2.gz RFFRNUOFMLVTLX-LBPRGKRZSA-N 2 1 281.469 3.223 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000090586945 541962063 /nfs/dbraw/zinc/96/20/63/541962063.db2.gz JZOPYUZQNAHVIL-DZGCQCFKSA-N 2 1 295.496 3.470 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000090586945 541962070 /nfs/dbraw/zinc/96/20/70/541962070.db2.gz JZOPYUZQNAHVIL-DZGCQCFKSA-N 2 1 295.496 3.470 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000459778241 374821329 /nfs/dbraw/zinc/82/13/29/374821329.db2.gz KTEBDMSWAPBGMK-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1Cl)CC1CC[NH2+]CC1 ZINC000094010723 541984756 /nfs/dbraw/zinc/98/47/56/541984756.db2.gz ZLYCONACZGQVOT-UHFFFAOYSA-N 2 1 287.234 3.425 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000334646487 374938609 /nfs/dbraw/zinc/93/86/09/374938609.db2.gz YCBDFYOIGTXRHQ-JTQLQIEISA-N 2 1 296.201 3.364 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000186981318 374949748 /nfs/dbraw/zinc/94/97/48/374949748.db2.gz PQDVFUQVKHJIPK-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP c1nc2ccccn2c1C[N@H+]1CCSC2(CCC2)CC1 ZINC000334732523 375014861 /nfs/dbraw/zinc/01/48/61/375014861.db2.gz HXEIUHLXZZCMNJ-UHFFFAOYSA-N 2 1 287.432 3.196 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CCCC1 ZINC000474033291 375072776 /nfs/dbraw/zinc/07/27/76/375072776.db2.gz KZKCTDQFOYYKSR-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261701379 296226025 /nfs/dbraw/zinc/22/60/25/296226025.db2.gz ILVCRJZBHSOYKE-FZMZJTMJSA-N 2 1 286.341 3.437 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000335045983 375089288 /nfs/dbraw/zinc/08/92/88/375089288.db2.gz SQANUCSFDXDFBE-GOSISDBHSA-N 2 1 288.410 3.420 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261598175 296226249 /nfs/dbraw/zinc/22/62/49/296226249.db2.gz ATQKNVUUZCSHPW-WFASDCNBSA-N 2 1 298.352 3.452 20 0 CGADMP COC[C@@H](C)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000187939914 375122167 /nfs/dbraw/zinc/12/21/67/375122167.db2.gz ZLEXXFTVOKQNJJ-JKSUJKDBSA-N 2 1 290.451 3.084 20 0 CGADMP C([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCSC1 ZINC000487318416 375228942 /nfs/dbraw/zinc/22/89/42/375228942.db2.gz HVQRMHNBXIVUFE-SJORKVTESA-N 2 1 296.524 3.374 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CCCC(F)(F)C1)CC[NH2+]CC2 ZINC000335275778 375258292 /nfs/dbraw/zinc/25/82/92/375258292.db2.gz DFWIADPGLBRAHU-KBPBESRZSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@H](C[NH2+]Cc1cnc(-c2cccs2)s1)C[NH+](C)C ZINC000491594425 375336213 /nfs/dbraw/zinc/33/62/13/375336213.db2.gz QEIQIPBURSJBSZ-LLVKDONJSA-N 2 1 295.477 3.159 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000189246733 375347822 /nfs/dbraw/zinc/34/78/22/375347822.db2.gz GCOBOAIDOQJYEL-OWYHZJEWSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000189246733 375347827 /nfs/dbraw/zinc/34/78/27/375347827.db2.gz GCOBOAIDOQJYEL-OWYHZJEWSA-N 2 1 286.463 3.470 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2CC2=Cc3ccccc3OC2)CC1 ZINC000335690954 375350572 /nfs/dbraw/zinc/35/05/72/375350572.db2.gz HDQZUDMNKHWAIS-UHFFFAOYSA-N 2 1 298.430 3.023 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC12CCC2 ZINC000335855462 375487798 /nfs/dbraw/zinc/48/77/98/375487798.db2.gz UCNZJNAXDWDRIJ-UHFFFAOYSA-N 2 1 282.391 3.094 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000502592335 375646771 /nfs/dbraw/zinc/64/67/71/375646771.db2.gz FEZFKSSYBBPIBJ-AAVRWANBSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000121480050 542019185 /nfs/dbraw/zinc/01/91/85/542019185.db2.gz DKGHKTWSSWFUEA-PXAZEXFGSA-N 2 1 287.382 3.244 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000336041227 375640299 /nfs/dbraw/zinc/64/02/99/375640299.db2.gz SYLIWASTFHJEJW-DZGCQCFKSA-N 2 1 276.399 3.146 20 0 CGADMP c1nc([C@H]2CCC[N@H+](CC3CCC3)C2)n2c1CCCC2 ZINC000336142810 375721198 /nfs/dbraw/zinc/72/11/98/375721198.db2.gz IFSTVSIFHHFPJP-HNNXBMFYSA-N 2 1 273.424 3.199 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123893473 542030321 /nfs/dbraw/zinc/03/03/21/542030321.db2.gz GTGHDNYLNNTBGA-MRXNPFEDSA-N 2 1 258.409 3.097 20 0 CGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000123884257 542030497 /nfs/dbraw/zinc/03/04/97/542030497.db2.gz AOLSSKPUJKKJEF-UHFFFAOYSA-N 2 1 258.409 3.097 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000123991476 542030610 /nfs/dbraw/zinc/03/06/10/542030610.db2.gz NKZSTHQYELHOGP-KDOFPFPSSA-N 2 1 270.420 3.097 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000193464952 375880480 /nfs/dbraw/zinc/88/04/80/375880480.db2.gz UQCNFJFOWNKKMR-UHFFFAOYSA-N 2 1 266.816 3.258 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000193464952 375880488 /nfs/dbraw/zinc/88/04/88/375880488.db2.gz UQCNFJFOWNKKMR-UHFFFAOYSA-N 2 1 266.816 3.258 20 0 CGADMP CCCNc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000193361266 375868014 /nfs/dbraw/zinc/86/80/14/375868014.db2.gz CRWFDDSMMCVEMS-YJBOKZPZSA-N 2 1 289.467 3.328 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000194194041 375970312 /nfs/dbraw/zinc/97/03/12/375970312.db2.gz YHEFCRSPGUSIAV-HUUCEWRRSA-N 2 1 271.408 3.221 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000534342382 375978541 /nfs/dbraw/zinc/97/85/41/375978541.db2.gz QZEHTGISOKYVRX-CYBMUJFWSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000534342382 375978547 /nfs/dbraw/zinc/97/85/47/375978547.db2.gz QZEHTGISOKYVRX-CYBMUJFWSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000534342382 375978556 /nfs/dbraw/zinc/97/85/56/375978556.db2.gz QZEHTGISOKYVRX-CYBMUJFWSA-N 2 1 266.454 3.084 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000336726380 375922472 /nfs/dbraw/zinc/92/24/72/375922472.db2.gz YRNSYGOICXLEBF-SFHVURJKSA-N 2 1 295.430 3.002 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000336726380 375922478 /nfs/dbraw/zinc/92/24/78/375922478.db2.gz YRNSYGOICXLEBF-SFHVURJKSA-N 2 1 295.430 3.002 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000336831352 375993386 /nfs/dbraw/zinc/99/33/86/375993386.db2.gz CYCQQBUZVALPKN-FSZRXZPDSA-N 2 1 270.420 3.451 20 0 CGADMP CC(C)COCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336845018 376007705 /nfs/dbraw/zinc/00/77/05/376007705.db2.gz MEBWZLWUATYPRU-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336845018 376007709 /nfs/dbraw/zinc/00/77/09/376007709.db2.gz MEBWZLWUATYPRU-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336845018 376007712 /nfs/dbraw/zinc/00/77/12/376007712.db2.gz MEBWZLWUATYPRU-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336845018 376007715 /nfs/dbraw/zinc/00/77/15/376007715.db2.gz MEBWZLWUATYPRU-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000536652152 376109767 /nfs/dbraw/zinc/10/97/67/376109767.db2.gz VHPFUXCSOKSCOB-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261563451 296239009 /nfs/dbraw/zinc/23/90/09/296239009.db2.gz GWJWPKCMTAWBST-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261563451 296239010 /nfs/dbraw/zinc/23/90/10/296239010.db2.gz GWJWPKCMTAWBST-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H](C)C1CCCCC1 ZINC000537306154 376162631 /nfs/dbraw/zinc/16/26/31/376162631.db2.gz CKFBNGRZLOMHHM-CABCVRRESA-N 2 1 264.457 3.443 20 0 CGADMP CCc1ccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000132341528 542075946 /nfs/dbraw/zinc/07/59/46/542075946.db2.gz INQXLMONOSCWMH-YJBOKZPZSA-N 2 1 274.452 3.111 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000537990474 376216984 /nfs/dbraw/zinc/21/69/84/376216984.db2.gz HVZPOFDBODEVKB-IRXDYDNUSA-N 2 1 290.451 3.145 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000221919187 376223841 /nfs/dbraw/zinc/22/38/41/376223841.db2.gz VFSXJHPBYQYAIN-LBPRGKRZSA-N 2 1 270.367 3.346 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000221919187 376223843 /nfs/dbraw/zinc/22/38/43/376223843.db2.gz VFSXJHPBYQYAIN-LBPRGKRZSA-N 2 1 270.367 3.346 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000221919187 376223844 /nfs/dbraw/zinc/22/38/44/376223844.db2.gz VFSXJHPBYQYAIN-LBPRGKRZSA-N 2 1 270.367 3.346 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000221950825 376225986 /nfs/dbraw/zinc/22/59/86/376225986.db2.gz MCEMWPAKSYOCDX-IOASZLSFSA-N 2 1 250.430 3.028 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000338282018 376312297 /nfs/dbraw/zinc/31/22/97/376312297.db2.gz OZQNCCJQLYIKAX-YJBOKZPZSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000338282018 376312299 /nfs/dbraw/zinc/31/22/99/376312299.db2.gz OZQNCCJQLYIKAX-YJBOKZPZSA-N 2 1 290.451 3.042 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000539049583 376287894 /nfs/dbraw/zinc/28/78/94/376287894.db2.gz VDKMTQFXBCENMH-INIZCTEOSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000539049583 376287900 /nfs/dbraw/zinc/28/79/00/376287900.db2.gz VDKMTQFXBCENMH-INIZCTEOSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000539077052 376291876 /nfs/dbraw/zinc/29/18/76/376291876.db2.gz OSTNZBWOJNVIRM-BFQNTYOBSA-N 2 1 298.833 3.340 20 0 CGADMP CC[C@@H](C)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000540070179 376355810 /nfs/dbraw/zinc/35/58/10/376355810.db2.gz ZHNCXTBZAPMWKX-OAGGEKHMSA-N 2 1 254.462 3.380 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)ccc2n1 ZINC000226447300 376359636 /nfs/dbraw/zinc/35/96/36/376359636.db2.gz IZXBUZONCSJCNW-QGZVFWFLSA-N 2 1 283.419 3.117 20 0 CGADMP C[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)CC1CCCCC1 ZINC000541774089 376480090 /nfs/dbraw/zinc/48/00/90/376480090.db2.gz CDQCRKFESPSQKL-HNNXBMFYSA-N 2 1 264.457 3.444 20 0 CGADMP COc1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000230000924 376480693 /nfs/dbraw/zinc/48/06/93/376480693.db2.gz KVJBPPLQLXMYAN-UHFFFAOYSA-N 2 1 284.403 3.046 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)C[C@H]21 ZINC000228842968 376451310 /nfs/dbraw/zinc/45/13/10/376451310.db2.gz HOULCJKRXPWREY-NILFDRSVSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)C[C@H]21 ZINC000228842968 376451315 /nfs/dbraw/zinc/45/13/15/376451315.db2.gz HOULCJKRXPWREY-NILFDRSVSA-N 2 1 282.790 3.038 20 0 CGADMP CC(C)C1CC([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000232536598 376582035 /nfs/dbraw/zinc/58/20/35/376582035.db2.gz UFWGQFLXCXPGAK-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000543438955 376642462 /nfs/dbraw/zinc/64/24/62/376642462.db2.gz ZVYRPCVXYFEGCC-JCYILVPMSA-N 2 1 266.473 3.476 20 0 CGADMP CCc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000339042835 376643313 /nfs/dbraw/zinc/64/33/13/376643313.db2.gz BWFCBVGGFHQYRW-APWZRJJASA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000339042835 376643327 /nfs/dbraw/zinc/64/33/27/376643327.db2.gz BWFCBVGGFHQYRW-APWZRJJASA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000339042835 376643333 /nfs/dbraw/zinc/64/33/33/376643333.db2.gz BWFCBVGGFHQYRW-APWZRJJASA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000339042835 376643340 /nfs/dbraw/zinc/64/33/40/376643340.db2.gz BWFCBVGGFHQYRW-APWZRJJASA-N 2 1 299.462 3.093 20 0 CGADMP c1ccc(SCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069862 376660783 /nfs/dbraw/zinc/66/07/83/376660783.db2.gz YAXQOGONAVRDMZ-CVEARBPZSA-N 2 1 290.476 3.385 20 0 CGADMP CC[NH+](CC)CCSC[C@@H]1CCCC[N@H+]1C(C)C ZINC000339115040 376689611 /nfs/dbraw/zinc/68/96/11/376689611.db2.gz XSEJXMCIKGTDNS-HNNXBMFYSA-N 2 1 272.502 3.324 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000237499590 376746398 /nfs/dbraw/zinc/74/63/98/376746398.db2.gz ZYWXIWQWVZZSCS-AWEZNQCLSA-N 2 1 264.413 3.332 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000545160732 376790173 /nfs/dbraw/zinc/79/01/73/376790173.db2.gz AFSBPDOMCPAXOS-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000153647076 542114050 /nfs/dbraw/zinc/11/40/50/542114050.db2.gz BKSUVOCVRKAGIP-QAPCUYQASA-N 2 1 288.479 3.456 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896160 376902165 /nfs/dbraw/zinc/90/21/65/376902165.db2.gz TYSPPPOTOCNGLY-WFASDCNBSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)C[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000557084980 376922143 /nfs/dbraw/zinc/92/21/43/376922143.db2.gz UFYZOMZNLTWGPN-ZMSDIMECSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000557084980 376922147 /nfs/dbraw/zinc/92/21/47/376922147.db2.gz UFYZOMZNLTWGPN-ZMSDIMECSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000557084980 376922149 /nfs/dbraw/zinc/92/21/49/376922149.db2.gz UFYZOMZNLTWGPN-ZMSDIMECSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000557084980 376922154 /nfs/dbraw/zinc/92/21/54/376922154.db2.gz UFYZOMZNLTWGPN-ZMSDIMECSA-N 2 1 264.457 3.370 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000245992359 376951169 /nfs/dbraw/zinc/95/11/69/376951169.db2.gz QXGZSCJKRJWOHK-SVGFKBNWSA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000245992359 376951175 /nfs/dbraw/zinc/95/11/75/376951175.db2.gz QXGZSCJKRJWOHK-SVGFKBNWSA-N 2 1 282.472 3.043 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246056833 376958830 /nfs/dbraw/zinc/95/88/30/376958830.db2.gz CZTQLOLAELTVPC-DOTOQJQBSA-N 2 1 260.425 3.123 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1C ZINC000340372243 377025269 /nfs/dbraw/zinc/02/52/69/377025269.db2.gz WPBXXGPJRXUQHN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1C ZINC000340372243 377025272 /nfs/dbraw/zinc/02/52/72/377025272.db2.gz WPBXXGPJRXUQHN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1C ZINC000340372243 377025281 /nfs/dbraw/zinc/02/52/81/377025281.db2.gz WPBXXGPJRXUQHN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP CC1(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000558622658 377027833 /nfs/dbraw/zinc/02/78/33/377027833.db2.gz HNUNBTCIUWFYDF-AWEZNQCLSA-N 2 1 273.424 3.199 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246181159 376983110 /nfs/dbraw/zinc/98/31/10/376983110.db2.gz ROAZWRVFYGEGDD-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246181159 376983114 /nfs/dbraw/zinc/98/31/14/376983114.db2.gz ROAZWRVFYGEGDD-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246181159 376983118 /nfs/dbraw/zinc/98/31/18/376983118.db2.gz ROAZWRVFYGEGDD-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000558241678 376988749 /nfs/dbraw/zinc/98/87/49/376988749.db2.gz QNJZWQWSZTYQSM-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000246596291 377058303 /nfs/dbraw/zinc/05/83/03/377058303.db2.gz MPBFXTPFERWBAP-SJORKVTESA-N 2 1 297.446 3.235 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246946518 377124818 /nfs/dbraw/zinc/12/48/18/377124818.db2.gz QYONCABRSFKXIL-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246946518 377124822 /nfs/dbraw/zinc/12/48/22/377124822.db2.gz QYONCABRSFKXIL-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246946518 377124828 /nfs/dbraw/zinc/12/48/28/377124828.db2.gz QYONCABRSFKXIL-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246946518 377124831 /nfs/dbraw/zinc/12/48/31/377124831.db2.gz QYONCABRSFKXIL-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP C[N@H+]1CC[C@H](NCc2c(F)cc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000340492948 377099946 /nfs/dbraw/zinc/09/99/46/377099946.db2.gz XILACDVQHZWQRQ-RLCCDNCMSA-N 2 1 298.352 3.066 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000559879668 377102655 /nfs/dbraw/zinc/10/26/55/377102655.db2.gz UMGIYZAQLLATSV-NCOXYXGASA-N 2 1 264.457 3.274 20 0 CGADMP COC(C)(C)[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340536834 377132550 /nfs/dbraw/zinc/13/25/50/377132550.db2.gz SSVAKVNNWWNNIJ-HZPDHXFCSA-N 2 1 292.467 3.300 20 0 CGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)CC(C)C ZINC000247052472 377150809 /nfs/dbraw/zinc/15/08/09/377150809.db2.gz NHQTZMDNIAYTDC-SQNIBIBYSA-N 3 1 297.531 3.063 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247136799 377164310 /nfs/dbraw/zinc/16/43/10/377164310.db2.gz AWWZPRWHLPEXMX-WMZOPIPTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247136799 377164318 /nfs/dbraw/zinc/16/43/18/377164318.db2.gz AWWZPRWHLPEXMX-WMZOPIPTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247136799 377164325 /nfs/dbraw/zinc/16/43/25/377164325.db2.gz AWWZPRWHLPEXMX-WMZOPIPTSA-N 2 1 272.436 3.220 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000560529228 377165672 /nfs/dbraw/zinc/16/56/72/377165672.db2.gz KRNTYTBKFGPYFB-UGUYLWEFSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000560529228 377165684 /nfs/dbraw/zinc/16/56/84/377165684.db2.gz KRNTYTBKFGPYFB-UGUYLWEFSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2F)C1 ZINC000247143114 377166939 /nfs/dbraw/zinc/16/69/39/377166939.db2.gz SKICAHHRWCIISP-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2F)C1 ZINC000247143114 377166943 /nfs/dbraw/zinc/16/69/43/377166943.db2.gz SKICAHHRWCIISP-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@H]2CCC[C@H]21 ZINC000560546367 377167955 /nfs/dbraw/zinc/16/79/55/377167955.db2.gz QXLBKSMBPZFPSJ-FGSPNWDHSA-N 2 1 296.458 3.035 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOC2CCCCC2)[C@@H](C)C1 ZINC000247880208 377242451 /nfs/dbraw/zinc/24/24/51/377242451.db2.gz BNBBQSLHYDZEFS-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248124458 377268889 /nfs/dbraw/zinc/26/88/89/377268889.db2.gz NTYMIZUZDLEYQN-VYDXJSESSA-N 2 1 260.425 3.171 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)[C@H](C)C1 ZINC000248140170 377272721 /nfs/dbraw/zinc/27/27/21/377272721.db2.gz PNQCOINVQSHCMY-KYJSFNMBSA-N 2 1 272.436 3.036 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000248160953 377274707 /nfs/dbraw/zinc/27/47/07/377274707.db2.gz SBUUFBOTMUAPGY-DVOMOZLQSA-N 2 1 294.414 3.043 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000248160953 377274712 /nfs/dbraw/zinc/27/47/12/377274712.db2.gz SBUUFBOTMUAPGY-DVOMOZLQSA-N 2 1 294.414 3.043 20 0 CGADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[C@H]2C)[C@H]1C ZINC000248344690 377290994 /nfs/dbraw/zinc/29/09/94/377290994.db2.gz LXBVSFMVABFGFI-SYMSYNOKSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[C@H]2C)[C@H]1C ZINC000248344690 377291001 /nfs/dbraw/zinc/29/10/01/377291001.db2.gz LXBVSFMVABFGFI-SYMSYNOKSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[C@H]2C)[C@H]1C ZINC000248344690 377291002 /nfs/dbraw/zinc/29/10/02/377291002.db2.gz LXBVSFMVABFGFI-SYMSYNOKSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1cccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000562443598 377309556 /nfs/dbraw/zinc/30/95/56/377309556.db2.gz KLQTUBBHLPXBQH-BHYGNILZSA-N 2 1 258.409 3.225 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000562900761 377370708 /nfs/dbraw/zinc/37/07/08/377370708.db2.gz CSNOQRSWXTVOHH-MKQDKFQKSA-N 2 1 294.389 3.142 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000562900762 377371230 /nfs/dbraw/zinc/37/12/30/377371230.db2.gz CSNOQRSWXTVOHH-RFSCMCKOSA-N 2 1 294.389 3.142 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248716354 377386858 /nfs/dbraw/zinc/38/68/58/377386858.db2.gz BWQUZRONXHNNEN-VNQPRFMTSA-N 2 1 293.455 3.009 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248544987 377343284 /nfs/dbraw/zinc/34/32/84/377343284.db2.gz DFRLLCYMQKUSOY-HKUYNNGSSA-N 2 1 286.463 3.283 20 0 CGADMP Cc1nc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000341187513 377438195 /nfs/dbraw/zinc/43/81/95/377438195.db2.gz CSGGBCXUWGFYAD-LBPRGKRZSA-N 2 1 289.448 3.364 20 0 CGADMP CCCCC[N@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000563354931 377446048 /nfs/dbraw/zinc/44/60/48/377446048.db2.gz LDXJBTUJQYRHNZ-UHFFFAOYSA-N 2 1 251.418 3.253 20 0 CGADMP CCCCC[N@@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000563354931 377446054 /nfs/dbraw/zinc/44/60/54/377446054.db2.gz LDXJBTUJQYRHNZ-UHFFFAOYSA-N 2 1 251.418 3.253 20 0 CGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041067032 249003372 /nfs/dbraw/zinc/00/33/72/249003372.db2.gz RRWAIQGOGKFICS-PBWFPOADSA-N 2 1 298.352 3.420 20 0 CGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041067032 249003375 /nfs/dbraw/zinc/00/33/75/249003375.db2.gz RRWAIQGOGKFICS-PBWFPOADSA-N 2 1 298.352 3.420 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000313230892 249088785 /nfs/dbraw/zinc/08/87/85/249088785.db2.gz SNUXTDAHJGTBQI-BNOWGMLFSA-N 2 1 296.817 3.472 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CCSCC1 ZINC000250076056 377548806 /nfs/dbraw/zinc/54/88/06/377548806.db2.gz ONYFDRABGNWORE-GDBMZVCRSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CCSCC1 ZINC000250076056 377548816 /nfs/dbraw/zinc/54/88/16/377548816.db2.gz ONYFDRABGNWORE-GDBMZVCRSA-N 2 1 284.513 3.372 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000250592675 377562877 /nfs/dbraw/zinc/56/28/77/377562877.db2.gz HWLSZWIZMQGCCX-OFQRWUPVSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000470012171 249166459 /nfs/dbraw/zinc/16/64/59/249166459.db2.gz PUZGDUPKJJHKOG-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000470012171 249166461 /nfs/dbraw/zinc/16/64/61/249166461.db2.gz PUZGDUPKJJHKOG-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)c1c[nH+]ccc1N ZINC000515053359 249199360 /nfs/dbraw/zinc/19/93/60/249199360.db2.gz SVZWFRQOMNFYEY-GFCCVEGCSA-N 2 1 259.397 3.281 20 0 CGADMP Cc1ccc2cc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)oc2c1 ZINC000515112977 249201859 /nfs/dbraw/zinc/20/18/59/249201859.db2.gz NNIKVMOEBNEBRG-CYBMUJFWSA-N 2 1 283.375 3.368 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000251368916 377580568 /nfs/dbraw/zinc/58/05/68/377580568.db2.gz WTBCOBJSXGNVOH-DOMZBBRYSA-N 2 1 252.377 3.192 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251424111 377582482 /nfs/dbraw/zinc/58/24/82/377582482.db2.gz HUYFFULLRLBEAO-OUCADQQQSA-N 2 1 298.377 3.408 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000516337317 249231786 /nfs/dbraw/zinc/23/17/86/249231786.db2.gz GECNBHORGPVKAW-IPYPFGDCSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000516337317 249231787 /nfs/dbraw/zinc/23/17/87/249231787.db2.gz GECNBHORGPVKAW-IPYPFGDCSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516337317 249231790 /nfs/dbraw/zinc/23/17/90/249231790.db2.gz GECNBHORGPVKAW-IPYPFGDCSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516337317 249231792 /nfs/dbraw/zinc/23/17/92/249231792.db2.gz GECNBHORGPVKAW-IPYPFGDCSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCC2 ZINC000251565231 377588626 /nfs/dbraw/zinc/58/86/26/377588626.db2.gz SXHMCMIDKAUIOC-KYNGSXCRSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000252134990 377616227 /nfs/dbraw/zinc/61/62/27/377616227.db2.gz MLJBINOZNBKSOB-NQMMUZQISA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000252134990 377616237 /nfs/dbraw/zinc/61/62/37/377616237.db2.gz MLJBINOZNBKSOB-NQMMUZQISA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000252089360 377613807 /nfs/dbraw/zinc/61/38/07/377613807.db2.gz GXRKYXNBZYUWHS-SYAUCNOPSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC[N@H+]1C ZINC000252089360 377613817 /nfs/dbraw/zinc/61/38/17/377613817.db2.gz GXRKYXNBZYUWHS-SYAUCNOPSA-N 2 1 250.430 3.028 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672997 377649820 /nfs/dbraw/zinc/64/98/20/377649820.db2.gz GAKVQOZJSWSXDK-CABCVRRESA-N 2 1 270.376 3.149 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672997 377649823 /nfs/dbraw/zinc/64/98/23/377649823.db2.gz GAKVQOZJSWSXDK-CABCVRRESA-N 2 1 270.376 3.149 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000252890930 377668508 /nfs/dbraw/zinc/66/85/08/377668508.db2.gz JDTBKFNTSCXPBX-KBXCAEBGSA-N 2 1 268.404 3.270 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000574470494 377669234 /nfs/dbraw/zinc/66/92/34/377669234.db2.gz QMZVDMZGPWZDFR-LJQANCHMSA-N 2 1 286.463 3.390 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000574246948 377638100 /nfs/dbraw/zinc/63/81/00/377638100.db2.gz UTTALJGPMGGZBS-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000574246948 377638111 /nfs/dbraw/zinc/63/81/11/377638111.db2.gz UTTALJGPMGGZBS-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000574246948 377638116 /nfs/dbraw/zinc/63/81/16/377638116.db2.gz UTTALJGPMGGZBS-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1C ZINC000574678767 377693524 /nfs/dbraw/zinc/69/35/24/377693524.db2.gz XEZCVHNQBAOAEQ-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1C ZINC000574678767 377693532 /nfs/dbraw/zinc/69/35/32/377693532.db2.gz XEZCVHNQBAOAEQ-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1C ZINC000574678767 377693543 /nfs/dbraw/zinc/69/35/43/377693543.db2.gz XEZCVHNQBAOAEQ-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000574946223 377728019 /nfs/dbraw/zinc/72/80/19/377728019.db2.gz XHLKRHFXUROFMP-UAGQMJEPSA-N 2 1 260.425 3.108 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000574946223 377728022 /nfs/dbraw/zinc/72/80/22/377728022.db2.gz XHLKRHFXUROFMP-UAGQMJEPSA-N 2 1 260.425 3.108 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261688726 377839775 /nfs/dbraw/zinc/83/97/75/377839775.db2.gz NDNWVMHIGJWROP-CCKFTAQKSA-N 2 1 280.415 3.442 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000261679343 377839902 /nfs/dbraw/zinc/83/99/02/377839902.db2.gz GPTXMXRTTAYFAG-MSOLQXFVSA-N 2 1 266.388 3.024 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000342811489 377810716 /nfs/dbraw/zinc/81/07/16/377810716.db2.gz UQRRMNVIPRDNHG-GXTWGEPZSA-N 2 1 296.842 3.311 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000342811489 377810722 /nfs/dbraw/zinc/81/07/22/377810722.db2.gz UQRRMNVIPRDNHG-GXTWGEPZSA-N 2 1 296.842 3.311 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261546346 377815704 /nfs/dbraw/zinc/81/57/04/377815704.db2.gz KWOCDNTZPKRSRK-GJZGRUSLSA-N 2 1 284.403 3.091 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261573934 377820651 /nfs/dbraw/zinc/82/06/51/377820651.db2.gz WHRGALNKPXTUJS-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000261654363 377833668 /nfs/dbraw/zinc/83/36/68/377833668.db2.gz BHBDADVKCUMERR-XUJVJEKNSA-N 2 1 266.816 3.113 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CCCCC2 ZINC000261648419 377834764 /nfs/dbraw/zinc/83/47/64/377834764.db2.gz AWUPHXBUQADUJL-JKSUJKDBSA-N 2 1 264.457 3.278 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000261880210 377863725 /nfs/dbraw/zinc/86/37/25/377863725.db2.gz YKEIKGVLEZOHRB-QGZVFWFLSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000342932219 377864612 /nfs/dbraw/zinc/86/46/12/377864612.db2.gz YJSJBMRDBGWDAY-AEFFLSMTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000342932219 377864617 /nfs/dbraw/zinc/86/46/17/377864617.db2.gz YJSJBMRDBGWDAY-AEFFLSMTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000342932219 377864621 /nfs/dbraw/zinc/86/46/21/377864621.db2.gz YJSJBMRDBGWDAY-AEFFLSMTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000342937738 377867223 /nfs/dbraw/zinc/86/72/23/377867223.db2.gz ILBTWOXGWIUMBO-QGZVFWFLSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262030695 377880037 /nfs/dbraw/zinc/88/00/37/377880037.db2.gz NZEYASAOPSKMOP-SJLPKXTDSA-N 2 1 272.436 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](CC(C)C)C1CCCC1 ZINC000342859655 377842345 /nfs/dbraw/zinc/84/23/45/377842345.db2.gz KFUVOHJNBBPUCA-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](CC(C)C)C1CCCC1 ZINC000342859655 377842350 /nfs/dbraw/zinc/84/23/50/377842350.db2.gz KFUVOHJNBBPUCA-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261710436 377842416 /nfs/dbraw/zinc/84/24/16/377842416.db2.gz JJSLNKSFQUCDND-HOTGVXAUSA-N 2 1 272.436 3.025 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000342863293 377843454 /nfs/dbraw/zinc/84/34/54/377843454.db2.gz HKLRDWLWVRVOSJ-SFHVURJKSA-N 2 1 283.419 3.423 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1CC(C)C ZINC000342861648 377844885 /nfs/dbraw/zinc/84/48/85/377844885.db2.gz YTHFIAQKYNPAJV-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000342861648 377844891 /nfs/dbraw/zinc/84/48/91/377844891.db2.gz YTHFIAQKYNPAJV-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)s1)[C@@H]1CCC[NH2+]CC1 ZINC000261743974 377848303 /nfs/dbraw/zinc/84/83/03/377848303.db2.gz BRCIJOHEQLGMFO-SNVBAGLBSA-N 2 1 292.370 3.341 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)s1)[C@@H]1CCC[NH2+]CC1 ZINC000261743974 377848308 /nfs/dbraw/zinc/84/83/08/377848308.db2.gz BRCIJOHEQLGMFO-SNVBAGLBSA-N 2 1 292.370 3.341 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)c1C ZINC000261744271 377849425 /nfs/dbraw/zinc/84/94/25/377849425.db2.gz IZJBZTPEQKLLNX-QZTJIDSGSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]C1 ZINC000261778767 377852873 /nfs/dbraw/zinc/85/28/73/377852873.db2.gz NQUASGYBEOSAPG-HZPDHXFCSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]C1 ZINC000261778767 377852878 /nfs/dbraw/zinc/85/28/78/377852878.db2.gz NQUASGYBEOSAPG-HZPDHXFCSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000265976742 190220182 /nfs/dbraw/zinc/22/01/82/190220182.db2.gz BYRAVGNFMFSXSQ-HOTGVXAUSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000265976742 190220183 /nfs/dbraw/zinc/22/01/83/190220183.db2.gz BYRAVGNFMFSXSQ-HOTGVXAUSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000265976742 190220184 /nfs/dbraw/zinc/22/01/84/190220184.db2.gz BYRAVGNFMFSXSQ-HOTGVXAUSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000265976742 190220185 /nfs/dbraw/zinc/22/01/85/190220185.db2.gz BYRAVGNFMFSXSQ-HOTGVXAUSA-N 2 1 260.425 3.218 20 0 CGADMP CC(C)Oc1ccccc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000578495604 378074660 /nfs/dbraw/zinc/07/46/60/378074660.db2.gz FVDBDSZELJYDRB-AWEZNQCLSA-N 2 1 287.407 3.101 20 0 CGADMP CSCC[C@@H](C)[N@@H+](C)CCc1ccncc1C ZINC000578983963 378118549 /nfs/dbraw/zinc/11/85/49/378118549.db2.gz DIHKRHOWCJHTSZ-CYBMUJFWSA-N 2 1 252.427 3.006 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(SC)s2)C1 ZINC000579291011 378146638 /nfs/dbraw/zinc/14/66/38/378146638.db2.gz WVDBMZKMJGJFRJ-GFCCVEGCSA-N 2 1 284.494 3.292 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268708971 378093638 /nfs/dbraw/zinc/09/36/38/378093638.db2.gz JHTVCXMMNDOPAF-ZMSDIMECSA-N 2 1 260.425 3.428 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268708971 378093641 /nfs/dbraw/zinc/09/36/41/378093641.db2.gz JHTVCXMMNDOPAF-ZMSDIMECSA-N 2 1 260.425 3.428 20 0 CGADMP CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268748533 378101778 /nfs/dbraw/zinc/10/17/78/378101778.db2.gz TWBZBZTUFWFLRD-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268748533 378101780 /nfs/dbraw/zinc/10/17/80/378101780.db2.gz TWBZBZTUFWFLRD-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP c1cn(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000269979650 378289881 /nfs/dbraw/zinc/28/98/81/378289881.db2.gz QRTUARUKYQDWAT-QZTJIDSGSA-N 2 1 297.446 3.248 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000580364649 378245161 /nfs/dbraw/zinc/24/51/61/378245161.db2.gz XKYXDDJCDDMUGV-FPCVCCKLSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000580364649 378245164 /nfs/dbraw/zinc/24/51/64/378245164.db2.gz XKYXDDJCDDMUGV-FPCVCCKLSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000580364649 378245166 /nfs/dbraw/zinc/24/51/66/378245166.db2.gz XKYXDDJCDDMUGV-FPCVCCKLSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000580364649 378245170 /nfs/dbraw/zinc/24/51/70/378245170.db2.gz XKYXDDJCDDMUGV-FPCVCCKLSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000580364649 378245172 /nfs/dbraw/zinc/24/51/72/378245172.db2.gz XKYXDDJCDDMUGV-FPCVCCKLSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000582413208 378310822 /nfs/dbraw/zinc/31/08/22/378310822.db2.gz CYPHIWYTJHMIMS-INIZCTEOSA-N 2 1 258.409 3.443 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000583733625 378341914 /nfs/dbraw/zinc/34/19/14/378341914.db2.gz OHCGQILFIAUQCS-CQSZACIVSA-N 2 1 264.413 3.065 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000583733625 378341918 /nfs/dbraw/zinc/34/19/18/378341918.db2.gz OHCGQILFIAUQCS-CQSZACIVSA-N 2 1 264.413 3.065 20 0 CGADMP Cc1csc(C2([NH2+]CCn3cc[nH+]c3C)CCCC2)n1 ZINC000270908912 378412670 /nfs/dbraw/zinc/41/26/70/378412670.db2.gz SNEVXWPPEPSWGK-UHFFFAOYSA-N 2 1 290.436 3.016 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)c1cccc(OC)c1 ZINC000270644022 378380717 /nfs/dbraw/zinc/38/07/17/378380717.db2.gz KEARDXCAZCPZFL-AWEZNQCLSA-N 2 1 287.407 3.283 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)c1cccc(OC)c1 ZINC000270644022 378380724 /nfs/dbraw/zinc/38/07/24/378380724.db2.gz KEARDXCAZCPZFL-AWEZNQCLSA-N 2 1 287.407 3.283 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000270651221 378383273 /nfs/dbraw/zinc/38/32/73/378383273.db2.gz LYTAUNNCBWRSAU-UHFFFAOYSA-N 2 1 283.828 3.429 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000270651221 378383275 /nfs/dbraw/zinc/38/32/75/378383275.db2.gz LYTAUNNCBWRSAU-UHFFFAOYSA-N 2 1 283.828 3.429 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000584457283 378386975 /nfs/dbraw/zinc/38/69/75/378386975.db2.gz WORXTZRHFRYNNG-RVKKMQEKSA-N 2 1 272.436 3.384 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000270685818 378387710 /nfs/dbraw/zinc/38/77/10/378387710.db2.gz WARYRNTWGWRRQT-UHFFFAOYSA-N 2 1 277.799 3.370 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000271954356 378528805 /nfs/dbraw/zinc/52/88/05/378528805.db2.gz FDUWTSPLCJULKB-VFPGXZCRSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC[N@H+]1C ZINC000271954356 378528810 /nfs/dbraw/zinc/52/88/10/378528810.db2.gz FDUWTSPLCJULKB-VFPGXZCRSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271904014 378512417 /nfs/dbraw/zinc/51/24/17/378512417.db2.gz WCSHUELDYVTRBS-ACJLOTCBSA-N 2 1 288.410 3.301 20 0 CGADMP C[C@H]([NH2+]Cc1ccoc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272179403 378578869 /nfs/dbraw/zinc/57/88/69/378578869.db2.gz KANZQIUMKMQFOU-YJBOKZPZSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@H]([NH2+]Cc1ccoc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272179403 378578870 /nfs/dbraw/zinc/57/88/70/378578870.db2.gz KANZQIUMKMQFOU-YJBOKZPZSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346471543 378589321 /nfs/dbraw/zinc/58/93/21/378589321.db2.gz YAEYEDCYBSUQSR-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346471543 378589325 /nfs/dbraw/zinc/58/93/25/378589325.db2.gz YAEYEDCYBSUQSR-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000266149935 190234871 /nfs/dbraw/zinc/23/48/71/190234871.db2.gz WPDXUMDVDFXJHU-CYBMUJFWSA-N 2 1 296.842 3.101 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000346654067 378662634 /nfs/dbraw/zinc/66/26/34/378662634.db2.gz RDMBZVWUEVFQJO-WDEREUQCSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000346654067 378662636 /nfs/dbraw/zinc/66/26/36/378662636.db2.gz RDMBZVWUEVFQJO-WDEREUQCSA-N 2 1 293.461 3.041 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000272592395 378671840 /nfs/dbraw/zinc/67/18/40/378671840.db2.gz RFRFLCJMCOKUGV-UHFFFAOYSA-N 2 1 298.386 3.423 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1OCC1CC1 ZINC000346691120 378676288 /nfs/dbraw/zinc/67/62/88/378676288.db2.gz VIFMNITUVSRHST-QGZVFWFLSA-N 2 1 290.451 3.281 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OCC1CC1 ZINC000346691120 378676296 /nfs/dbraw/zinc/67/62/96/378676296.db2.gz VIFMNITUVSRHST-QGZVFWFLSA-N 2 1 290.451 3.281 20 0 CGADMP C[N@H+](Cc1c(Cl)ccc2cccnc21)CC(C)(C)C[NH3+] ZINC000346691138 378676712 /nfs/dbraw/zinc/67/67/12/378676712.db2.gz VKADWFSEYLHXQD-UHFFFAOYSA-N 2 1 291.826 3.305 20 0 CGADMP C[N@@H+](Cc1c(Cl)ccc2cccnc21)CC(C)(C)C[NH3+] ZINC000346691138 378676718 /nfs/dbraw/zinc/67/67/18/378676718.db2.gz VKADWFSEYLHXQD-UHFFFAOYSA-N 2 1 291.826 3.305 20 0 CGADMP CC[C@H](C)[C@@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC000637957878 378646359 /nfs/dbraw/zinc/64/63/59/378646359.db2.gz KTFZWQOKZRINBC-DOTOQJQBSA-N 2 1 284.488 3.100 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC000273019886 378735072 /nfs/dbraw/zinc/73/50/72/378735072.db2.gz CLBWQVYKTAVHOA-AWEZNQCLSA-N 2 1 288.435 3.281 20 0 CGADMP Cn1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2ccccc21 ZINC000638114331 378705474 /nfs/dbraw/zinc/70/54/74/378705474.db2.gz ZBJSHRHTKMEVAN-MRXNPFEDSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2ccccc21 ZINC000638114331 378705478 /nfs/dbraw/zinc/70/54/78/378705478.db2.gz ZBJSHRHTKMEVAN-MRXNPFEDSA-N 2 1 297.446 3.096 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638123149 378709252 /nfs/dbraw/zinc/70/92/52/378709252.db2.gz OPGBPLSWOPYUFI-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC1(F)F ZINC000638336408 378771751 /nfs/dbraw/zinc/77/17/51/378771751.db2.gz UIRMGBYTYFYUPM-XJKSGUPXSA-N 2 1 294.389 3.068 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CC1(F)F ZINC000638336408 378771755 /nfs/dbraw/zinc/77/17/55/378771755.db2.gz UIRMGBYTYFYUPM-XJKSGUPXSA-N 2 1 294.389 3.068 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc(F)c1N ZINC000638366045 378778901 /nfs/dbraw/zinc/77/89/01/378778901.db2.gz KHAKQXFIWMLLCY-AWEZNQCLSA-N 2 1 293.430 3.152 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638366611 378781248 /nfs/dbraw/zinc/78/12/48/378781248.db2.gz PIHCKCRFAXZBMS-WCXIOVBPSA-N 2 1 264.457 3.134 20 0 CGADMP CCOC1CC(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000638366522 378781394 /nfs/dbraw/zinc/78/13/94/378781394.db2.gz QKYBOANKNPICMP-KLAILNCOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000278483879 194004755 /nfs/dbraw/zinc/00/47/55/194004755.db2.gz KOVHOUMZOWOVTJ-AEFFLSMTSA-N 2 1 290.451 3.228 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000348262075 378871732 /nfs/dbraw/zinc/87/17/32/378871732.db2.gz QFEMSHKDIASHJQ-BPQIPLTHSA-N 2 1 272.436 3.112 20 0 CGADMP COC1CC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348254154 378865945 /nfs/dbraw/zinc/86/59/45/378865945.db2.gz NKYRMUOVRADPQU-OLJMKKDRSA-N 2 1 285.391 3.009 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCC(C)(C)CC1 ZINC000348258029 378867754 /nfs/dbraw/zinc/86/77/54/378867754.db2.gz UZSFDJSPOUCUJW-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCC(C)(C)CC1 ZINC000348258029 378867758 /nfs/dbraw/zinc/86/77/58/378867758.db2.gz UZSFDJSPOUCUJW-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCC(C)(C)CC1 ZINC000348258029 378867764 /nfs/dbraw/zinc/86/77/64/378867764.db2.gz UZSFDJSPOUCUJW-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000274776953 378893344 /nfs/dbraw/zinc/89/33/44/378893344.db2.gz ULJFKKFLBDDBCR-UHFFFAOYSA-N 2 1 298.228 3.129 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/Cl ZINC000274790191 378895596 /nfs/dbraw/zinc/89/55/96/378895596.db2.gz BTNOBMYJLUCVPD-YORMDBTCSA-N 2 1 278.827 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000638788690 378912257 /nfs/dbraw/zinc/91/22/57/378912257.db2.gz PXXKLRXRJFEAPM-INIZCTEOSA-N 2 1 284.513 3.087 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346993009 218083959 /nfs/dbraw/zinc/08/39/59/218083959.db2.gz UIDXGVJGRUYYLW-AEFFLSMTSA-N 2 1 272.436 3.040 20 0 CGADMP C[N@@H+](Cc1cccc(OC2CCCC2)c1)C1CC[NH2+]CC1 ZINC000347056403 218107974 /nfs/dbraw/zinc/10/79/74/218107974.db2.gz VAXFRGLLZVDTHR-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP CCC[C@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)OC ZINC000639110576 379034856 /nfs/dbraw/zinc/03/48/56/379034856.db2.gz PLODLYYLFZHDOG-MRXNPFEDSA-N 2 1 292.423 3.048 20 0 CGADMP Cc1scc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000639178759 379099062 /nfs/dbraw/zinc/09/90/62/379099062.db2.gz OMWYADPGNBPNQL-XHDPSFHLSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000639178759 379099067 /nfs/dbraw/zinc/09/90/67/379099067.db2.gz OMWYADPGNBPNQL-XHDPSFHLSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000639178759 379099069 /nfs/dbraw/zinc/09/90/69/379099069.db2.gz OMWYADPGNBPNQL-XHDPSFHLSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000639178759 379099074 /nfs/dbraw/zinc/09/90/74/379099074.db2.gz OMWYADPGNBPNQL-XHDPSFHLSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c2ccccc2n1 ZINC000277262332 379113517 /nfs/dbraw/zinc/11/35/17/379113517.db2.gz RAEKRODMFIFNCJ-KRWDZBQOSA-N 2 1 297.446 3.459 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(C)CCC1 ZINC000349146896 379172243 /nfs/dbraw/zinc/17/22/43/379172243.db2.gz HUOIIZTYLUZWEY-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(C)CCC1 ZINC000349146896 379172247 /nfs/dbraw/zinc/17/22/47/379172247.db2.gz HUOIIZTYLUZWEY-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(O)c1 ZINC000349157008 379174044 /nfs/dbraw/zinc/17/40/44/379174044.db2.gz YDRRRWXNFMVHAH-UHFFFAOYSA-N 2 1 287.407 3.063 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(O)c1 ZINC000349157008 379174054 /nfs/dbraw/zinc/17/40/54/379174054.db2.gz YDRRRWXNFMVHAH-UHFFFAOYSA-N 2 1 287.407 3.063 20 0 CGADMP CN(CC1CC[NH+](C)CC1)c1cc[nH+]c2ccsc21 ZINC000266428544 190256821 /nfs/dbraw/zinc/25/68/21/190256821.db2.gz TXBFOTBVSFYCJJ-UHFFFAOYSA-N 2 1 275.421 3.074 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000277771698 379233782 /nfs/dbraw/zinc/23/37/82/379233782.db2.gz UBAWICPPGTWARZ-UHFFFAOYSA-N 2 1 277.799 3.333 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCO[C@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424287046 296294500 /nfs/dbraw/zinc/29/45/00/296294500.db2.gz IGEJMLSTSDWJQN-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000373495515 379289721 /nfs/dbraw/zinc/28/97/21/379289721.db2.gz NFCKBHKQKPGVKE-IRXDYDNUSA-N 2 1 283.419 3.227 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000373495513 379290268 /nfs/dbraw/zinc/29/02/68/379290268.db2.gz NFCKBHKQKPGVKE-IAGOWNOFSA-N 2 1 283.419 3.227 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000347572314 218276658 /nfs/dbraw/zinc/27/66/58/218276658.db2.gz SHSDSVDVJLBIIP-MRXNPFEDSA-N 2 1 284.488 3.103 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000349411433 379271219 /nfs/dbraw/zinc/27/12/19/379271219.db2.gz WZSNSHNJJWATMI-IRXDYDNUSA-N 2 1 260.425 3.064 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684799 379545113 /nfs/dbraw/zinc/54/51/13/379545113.db2.gz ZHDQCGNFSLUTJF-HNNXBMFYSA-N 2 1 261.413 3.028 20 0 CGADMP Cc1cc(C)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000639643148 379522314 /nfs/dbraw/zinc/52/23/14/379522314.db2.gz BFHZMIPVYBISIX-SJPCQFCGSA-N 2 1 287.451 3.064 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)n1 ZINC000639643148 379522318 /nfs/dbraw/zinc/52/23/18/379522318.db2.gz BFHZMIPVYBISIX-SJPCQFCGSA-N 2 1 287.451 3.064 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)n1 ZINC000639643148 379522323 /nfs/dbraw/zinc/52/23/23/379522323.db2.gz BFHZMIPVYBISIX-SJPCQFCGSA-N 2 1 287.451 3.064 20 0 CGADMP Cc1cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000639643148 379522330 /nfs/dbraw/zinc/52/23/30/379522330.db2.gz BFHZMIPVYBISIX-SJPCQFCGSA-N 2 1 287.451 3.064 20 0 CGADMP Cc1cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000639643148 379522333 /nfs/dbraw/zinc/52/23/33/379522333.db2.gz BFHZMIPVYBISIX-SJPCQFCGSA-N 2 1 287.451 3.064 20 0 CGADMP CC(C)C[N@H+](Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000347655812 218309246 /nfs/dbraw/zinc/30/92/46/218309246.db2.gz SSAAKZKCIOATFX-UHFFFAOYSA-N 2 1 269.458 3.071 20 0 CGADMP CC(C)C[N@@H+](Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000347655812 218309247 /nfs/dbraw/zinc/30/92/47/218309247.db2.gz SSAAKZKCIOATFX-UHFFFAOYSA-N 2 1 269.458 3.071 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2cncs2)CC1 ZINC000639985626 379676607 /nfs/dbraw/zinc/67/66/07/379676607.db2.gz CKENCQBADCFMKR-UHFFFAOYSA-N 2 1 293.480 3.026 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640154898 379736069 /nfs/dbraw/zinc/73/60/69/379736069.db2.gz OAIKPPOZGRJTND-INIZCTEOSA-N 2 1 293.361 3.411 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000377803787 379743709 /nfs/dbraw/zinc/74/37/09/379743709.db2.gz ZVKPKVYZNCOJJP-CTASWTNQSA-N 2 1 275.440 3.317 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC000377836730 379747649 /nfs/dbraw/zinc/74/76/49/379747649.db2.gz FBYYPLVJAGHHJQ-MCIONIFRSA-N 2 1 261.413 3.002 20 0 CGADMP Cc1ccncc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000280833955 379803559 /nfs/dbraw/zinc/80/35/59/379803559.db2.gz JXYKWGADMBXLHN-KRWDZBQOSA-N 2 1 297.446 3.390 20 0 CGADMP Cc1ccncc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000280833955 379803566 /nfs/dbraw/zinc/80/35/66/379803566.db2.gz JXYKWGADMBXLHN-KRWDZBQOSA-N 2 1 297.446 3.390 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000267441049 190330709 /nfs/dbraw/zinc/33/07/09/190330709.db2.gz PDVIDDHCDAECRL-INIZCTEOSA-N 2 1 269.392 3.406 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352524186 379843040 /nfs/dbraw/zinc/84/30/40/379843040.db2.gz AAXMVDIDEHVHNU-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352524186 379843043 /nfs/dbraw/zinc/84/30/43/379843043.db2.gz AAXMVDIDEHVHNU-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534571 379846544 /nfs/dbraw/zinc/84/65/44/379846544.db2.gz ICEDUKGHCMQTNY-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000352468212 379827924 /nfs/dbraw/zinc/82/79/24/379827924.db2.gz PNRZORKMMLMQIC-OAGGEKHMSA-N 2 1 290.451 3.176 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000352468212 379827930 /nfs/dbraw/zinc/82/79/30/379827930.db2.gz PNRZORKMMLMQIC-OAGGEKHMSA-N 2 1 290.451 3.176 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1C ZINC000279026131 194254015 /nfs/dbraw/zinc/25/40/15/194254015.db2.gz VPTWSMDQJBURKQ-CVEARBPZSA-N 2 1 283.419 3.413 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC000399051985 379935307 /nfs/dbraw/zinc/93/53/07/379935307.db2.gz VTPQPIIVDCOTNZ-KUQKPQIMSA-N 2 1 272.436 3.443 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000399863034 379946805 /nfs/dbraw/zinc/94/68/05/379946805.db2.gz FAXNSPCXZXDKEH-LSDHHAIUSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1C ZINC000399863034 379946813 /nfs/dbraw/zinc/94/68/13/379946813.db2.gz FAXNSPCXZXDKEH-LSDHHAIUSA-N 2 1 264.438 3.081 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352771515 379951709 /nfs/dbraw/zinc/95/17/09/379951709.db2.gz NPHUZINNPCAZBL-OCCSQVGLSA-N 2 1 281.469 3.263 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(O)c(C)c2)C[C@H]1C ZINC000347875631 218386590 /nfs/dbraw/zinc/38/65/90/218386590.db2.gz WRJMVYQUZICYGB-NVXWUHKLSA-N 2 1 290.451 3.314 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(O)c(C)c2)C[C@H]1C ZINC000347875631 218386591 /nfs/dbraw/zinc/38/65/91/218386591.db2.gz WRJMVYQUZICYGB-NVXWUHKLSA-N 2 1 290.451 3.314 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(O)c(C)c2)C[C@H]1C ZINC000347875631 218386592 /nfs/dbraw/zinc/38/65/92/218386592.db2.gz WRJMVYQUZICYGB-NVXWUHKLSA-N 2 1 290.451 3.314 20 0 CGADMP CSc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000641729814 380064697 /nfs/dbraw/zinc/06/46/97/380064697.db2.gz CMZDHZRHMMZCJP-YHWZYXNKSA-N 2 1 280.437 3.106 20 0 CGADMP CSc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000641729814 380064705 /nfs/dbraw/zinc/06/47/05/380064705.db2.gz CMZDHZRHMMZCJP-YHWZYXNKSA-N 2 1 280.437 3.106 20 0 CGADMP CN1CC[C@@H]2CC[N@@H+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995772 380068586 /nfs/dbraw/zinc/06/85/86/380068586.db2.gz NVEPOBHIYDMABD-CJNGLKHVSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@@H+]1CC[C@@H]2CCN(Cc3csc4ccccc34)[C@H]2C1 ZINC000352995772 380068589 /nfs/dbraw/zinc/06/85/89/380068589.db2.gz NVEPOBHIYDMABD-CJNGLKHVSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@H+]1CC[C@@H]2CCN(Cc3csc4ccccc34)[C@H]2C1 ZINC000352995772 380068596 /nfs/dbraw/zinc/06/85/96/380068596.db2.gz NVEPOBHIYDMABD-CJNGLKHVSA-N 2 1 286.444 3.427 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000353099461 380114117 /nfs/dbraw/zinc/11/41/17/380114117.db2.gz XHLKRHFXUROFMP-HYVNUMGLSA-N 2 1 260.425 3.108 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000353099461 380114119 /nfs/dbraw/zinc/11/41/19/380114119.db2.gz XHLKRHFXUROFMP-HYVNUMGLSA-N 2 1 260.425 3.108 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000414082987 380190238 /nfs/dbraw/zinc/19/02/38/380190238.db2.gz WONFLGVRJAVRCQ-JCGIZDLHSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000414082987 380190245 /nfs/dbraw/zinc/19/02/45/380190245.db2.gz WONFLGVRJAVRCQ-JCGIZDLHSA-N 2 1 288.435 3.281 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000414192637 380199480 /nfs/dbraw/zinc/19/94/80/380199480.db2.gz STHIMZZOXPOTTJ-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@@H](NC/C=C/c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000286357379 380202228 /nfs/dbraw/zinc/20/22/28/380202228.db2.gz FUXQRLBIRQQRNB-ZJRBINPNSA-N 2 1 292.373 3.193 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000353926938 380239306 /nfs/dbraw/zinc/23/93/06/380239306.db2.gz HQNRVYAAUSPONN-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506583 380328080 /nfs/dbraw/zinc/32/80/80/380328080.db2.gz CAVQPTMJWJJRRE-INIZCTEOSA-N 2 1 260.425 3.130 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643506899 380328599 /nfs/dbraw/zinc/32/85/99/380328599.db2.gz MBKQVHXFTMKNDK-LESCRADOSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3cnccc3c2)C[C@H]1C[NH3+] ZINC000643427672 380304840 /nfs/dbraw/zinc/30/48/40/380304840.db2.gz VFMAQCGAHWAKDQ-QWQRMKEZSA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+](CCC[NH3+])C1CC1 ZINC000414672323 380364181 /nfs/dbraw/zinc/36/41/81/380364181.db2.gz HEQAZILCNGKKNC-NSHDSACASA-N 2 1 252.789 3.214 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](CCC[NH3+])C1CC1 ZINC000414672323 380364188 /nfs/dbraw/zinc/36/41/88/380364188.db2.gz HEQAZILCNGKKNC-NSHDSACASA-N 2 1 252.789 3.214 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414672150 380364228 /nfs/dbraw/zinc/36/42/28/380364228.db2.gz ACXBZMWHRBSHMU-VKJFTORMSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccsc2)CC[NH2+]1 ZINC000414676588 380367426 /nfs/dbraw/zinc/36/74/26/380367426.db2.gz NXUBSWVENDMFHT-IPYPFGDCSA-N 2 1 264.438 3.273 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221589 380368341 /nfs/dbraw/zinc/36/83/41/380368341.db2.gz HLEZUBNKZSXNBW-GDBMZVCRSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221589 380368345 /nfs/dbraw/zinc/36/83/45/380368345.db2.gz HLEZUBNKZSXNBW-GDBMZVCRSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221589 380368347 /nfs/dbraw/zinc/36/83/47/380368347.db2.gz HLEZUBNKZSXNBW-GDBMZVCRSA-N 2 1 294.414 3.009 20 0 CGADMP CCSc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000414679449 380368776 /nfs/dbraw/zinc/36/87/76/380368776.db2.gz ZWGLVCQILXQPGS-USXIJHARSA-N 2 1 290.476 3.358 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414682091 380370710 /nfs/dbraw/zinc/37/07/10/380370710.db2.gz XQWGSKULYIYFBI-HOCLYGCPSA-N 2 1 278.415 3.426 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2F)C2CC2)CC[NH2+]1 ZINC000414681333 380371356 /nfs/dbraw/zinc/37/13/56/380371356.db2.gz OVPHAZIEQIKSQA-ZIAGYGMSSA-N 2 1 276.399 3.178 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414690840 380377247 /nfs/dbraw/zinc/37/72/47/380377247.db2.gz AUFGRSIDWJULRP-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414699186 380379956 /nfs/dbraw/zinc/37/99/56/380379956.db2.gz DLVGQHYNSHYXCV-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414698559 380380278 /nfs/dbraw/zinc/38/02/78/380380278.db2.gz DBQPMGQLLOPUJE-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000414740812 380390846 /nfs/dbraw/zinc/39/08/46/380390846.db2.gz KFFYGMLDSPJBEB-MGPQQGTHSA-N 2 1 294.389 3.142 20 0 CGADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000414753290 380393030 /nfs/dbraw/zinc/39/30/30/380393030.db2.gz QGMCESPIVYESCZ-QGZVFWFLSA-N 2 1 260.425 3.213 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770609 380397360 /nfs/dbraw/zinc/39/73/60/380397360.db2.gz PEHIUNHDYXVREY-GASCZTMLSA-N 2 1 292.854 3.388 20 0 CGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528316 380344198 /nfs/dbraw/zinc/34/41/98/380344198.db2.gz GYOMUJSUJDYYQX-ZJUUUORDSA-N 2 1 293.411 3.255 20 0 CGADMP Cc1ccc(CCC[NH2+]CC[NH2+]C2CCCCCC2)cn1 ZINC000414812532 380424308 /nfs/dbraw/zinc/42/43/08/380424308.db2.gz POZCARCHOCWZPJ-UHFFFAOYSA-N 2 1 289.467 3.225 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000414814114 380426588 /nfs/dbraw/zinc/42/65/88/380426588.db2.gz NFAURMFSUQKUTA-MRXNPFEDSA-N 2 1 271.408 3.150 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414821636 380431595 /nfs/dbraw/zinc/43/15/95/380431595.db2.gz CMMAJRMWVBKWGU-LBPRGKRZSA-N 2 1 288.357 3.226 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000414855592 380457566 /nfs/dbraw/zinc/45/75/66/380457566.db2.gz XDZQXPVJDKLNNQ-WBVHZDCISA-N 2 1 262.441 3.279 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414832106 380439911 /nfs/dbraw/zinc/43/99/11/380439911.db2.gz DGRLZGVIHMOEFN-MCIGGMRASA-N 2 1 266.351 3.071 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000414834612 380442036 /nfs/dbraw/zinc/44/20/36/380442036.db2.gz GSGVSCGICXJRQL-GFCCVEGCSA-N 2 1 274.330 3.168 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414853856 380455485 /nfs/dbraw/zinc/45/54/85/380455485.db2.gz UCZHYKQVSFNLNI-CYBMUJFWSA-N 2 1 260.381 3.204 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414773152 380399138 /nfs/dbraw/zinc/39/91/38/380399138.db2.gz DAWSAKCGSXNCSK-SJORKVTESA-N 2 1 272.436 3.125 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000414774732 380399222 /nfs/dbraw/zinc/39/92/22/380399222.db2.gz YZAWIQNQRWVMDR-HNJRGHQBSA-N 2 1 298.474 3.428 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414784543 380402894 /nfs/dbraw/zinc/40/28/94/380402894.db2.gz RKZPRVMMNMYNCD-RDGPPVDQSA-N 2 1 284.447 3.112 20 0 CGADMP Fc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786835 380405097 /nfs/dbraw/zinc/40/50/97/380405097.db2.gz UZBQISAJHLZWRH-KGLIPLIRSA-N 2 1 296.817 3.301 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414801807 380414127 /nfs/dbraw/zinc/41/41/27/380414127.db2.gz UVMPJBTWTZWFEW-GFCCVEGCSA-N 2 1 294.748 3.432 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000414808362 380419798 /nfs/dbraw/zinc/41/97/98/380419798.db2.gz SGHIIMMBFXRRQI-MRXNPFEDSA-N 2 1 272.417 3.242 20 0 CGADMP CC(C)(C)c1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000414808246 380420164 /nfs/dbraw/zinc/42/01/64/380420164.db2.gz SBKWJMPPISOQHB-DGCLKSJQSA-N 2 1 281.469 3.048 20 0 CGADMP Fc1ccccc1-c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)o1 ZINC000414911105 380486544 /nfs/dbraw/zinc/48/65/44/380486544.db2.gz WDOPQWWOEGIVJR-CYBMUJFWSA-N 2 1 288.366 3.317 20 0 CGADMP c1ccc([C@H]2CCCC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414926899 380492232 /nfs/dbraw/zinc/49/22/32/380492232.db2.gz ODFIKSHSKVHCKZ-OKZBNKHCSA-N 2 1 272.436 3.445 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414935224 380495917 /nfs/dbraw/zinc/49/59/17/380495917.db2.gz AZWMAGYWCLCKLL-MLGOLLRUSA-N 2 1 288.366 3.173 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)oc2cc1C ZINC000414940971 380498235 /nfs/dbraw/zinc/49/82/35/380498235.db2.gz CEQWAKRWGVGHJR-DZGCQCFKSA-N 2 1 272.392 3.280 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000414945786 380502304 /nfs/dbraw/zinc/50/23/04/380502304.db2.gz IVWLUPMSXHCCNK-ZANVPECISA-N 2 1 273.207 3.224 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866227 380464996 /nfs/dbraw/zinc/46/49/96/380464996.db2.gz MQWHOCCJGIYFPY-MNOVXSKESA-N 2 1 272.845 3.064 20 0 CGADMP CCC[NH2+]CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414868366 380466754 /nfs/dbraw/zinc/46/67/54/380466754.db2.gz KAKDOBGRMBRKPV-LBPRGKRZSA-N 2 1 254.805 3.033 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323783 380592989 /nfs/dbraw/zinc/59/29/89/380592989.db2.gz PDUUYVVRCKTSRL-ARKGTOAJSA-N 2 1 290.476 3.457 20 0 CGADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CC1(C)C ZINC000417332308 380596268 /nfs/dbraw/zinc/59/62/68/380596268.db2.gz XALASJDPXGFALL-HUUCEWRRSA-N 2 1 263.429 3.386 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC34CC4)CC2)cc1 ZINC000417355707 380605763 /nfs/dbraw/zinc/60/57/63/380605763.db2.gz DNMZVFLREGFMDL-KRWDZBQOSA-N 2 1 284.447 3.083 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(F)cccc2F)C[C@@H]1C ZINC000645811792 380740458 /nfs/dbraw/zinc/74/04/58/380740458.db2.gz KCAVDHXUVFPZRM-UONOGXRCSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2c(F)cccc2F)C[C@@H]1C ZINC000645811792 380740462 /nfs/dbraw/zinc/74/04/62/380740462.db2.gz KCAVDHXUVFPZRM-UONOGXRCSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2c(F)cccc2F)C[C@@H]1C ZINC000645811792 380740466 /nfs/dbraw/zinc/74/04/66/380740466.db2.gz KCAVDHXUVFPZRM-UONOGXRCSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2c(F)cccc2F)C[C@@H]1C ZINC000645811792 380740472 /nfs/dbraw/zinc/74/04/72/380740472.db2.gz KCAVDHXUVFPZRM-UONOGXRCSA-N 2 1 296.405 3.312 20 0 CGADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000419255529 380790781 /nfs/dbraw/zinc/79/07/81/380790781.db2.gz YGWGMRLXJDZKRS-RYRKJORJSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420303360 380845113 /nfs/dbraw/zinc/84/51/13/380845113.db2.gz NCFNPPWIVUENOD-NEWSRXKRSA-N 2 1 286.463 3.329 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]21 ZINC000420302767 380845538 /nfs/dbraw/zinc/84/55/38/380845538.db2.gz GNMPUMDGABGWLD-BVPBIZIASA-N 2 1 288.410 3.262 20 0 CGADMP [NH3+]CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000420391835 380852930 /nfs/dbraw/zinc/85/29/30/380852930.db2.gz BCNLMVOSYCPLNS-CQSZACIVSA-N 2 1 252.789 3.120 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000356840665 380896026 /nfs/dbraw/zinc/89/60/26/380896026.db2.gz FVFDGDOMBHRVLL-WMLDXEAASA-N 2 1 258.409 3.182 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000356840665 380896034 /nfs/dbraw/zinc/89/60/34/380896034.db2.gz FVFDGDOMBHRVLL-WMLDXEAASA-N 2 1 258.409 3.182 20 0 CGADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000356844316 380899774 /nfs/dbraw/zinc/89/97/74/380899774.db2.gz HQDBHRQXOXNECE-MLHJIOFPSA-N 2 1 284.447 3.285 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000356887536 380920915 /nfs/dbraw/zinc/92/09/15/380920915.db2.gz YRKBACPYVJZIMO-BPUTZDHNSA-N 2 1 275.440 3.167 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000361464974 381756971 /nfs/dbraw/zinc/75/69/71/381756971.db2.gz CLCLSONJBDIUBK-OAHLLOKOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000361464974 381756976 /nfs/dbraw/zinc/75/69/76/381756976.db2.gz CLCLSONJBDIUBK-OAHLLOKOSA-N 2 1 263.429 3.482 20 0 CGADMP COC1(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)CCCCC1 ZINC000361565447 381808503 /nfs/dbraw/zinc/80/85/03/381808503.db2.gz PJXOUPCXZFNOAO-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP COC1(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC000361565447 381808510 /nfs/dbraw/zinc/80/85/10/381808510.db2.gz PJXOUPCXZFNOAO-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP COC1(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC000361565447 381808520 /nfs/dbraw/zinc/80/85/20/381808520.db2.gz PJXOUPCXZFNOAO-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364187541 382263954 /nfs/dbraw/zinc/26/39/54/382263954.db2.gz BQDHHQLAHMOTEY-XQQFMLRXSA-N 2 1 280.437 3.034 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364187541 382263957 /nfs/dbraw/zinc/26/39/57/382263957.db2.gz BQDHHQLAHMOTEY-XQQFMLRXSA-N 2 1 280.437 3.034 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCn1ccnc1 ZINC000366888304 382323710 /nfs/dbraw/zinc/32/37/10/382323710.db2.gz USCNDQLXOMYMSL-RDJZCZTQSA-N 2 1 269.392 3.151 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCSC2)C1 ZINC000365881686 382298052 /nfs/dbraw/zinc/29/80/52/382298052.db2.gz MJFVJHOZEKVUGC-ZACQAIPSSA-N 2 1 296.524 3.326 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000365881686 382298058 /nfs/dbraw/zinc/29/80/58/382298058.db2.gz MJFVJHOZEKVUGC-ZACQAIPSSA-N 2 1 296.524 3.326 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000365881686 382298064 /nfs/dbraw/zinc/29/80/64/382298064.db2.gz MJFVJHOZEKVUGC-ZACQAIPSSA-N 2 1 296.524 3.326 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247958155 542332120 /nfs/dbraw/zinc/33/21/20/542332120.db2.gz FVSPVANBTWKBNW-IIDMSEBBSA-N 2 1 274.452 3.110 20 0 CGADMP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250247889 542342587 /nfs/dbraw/zinc/34/25/87/542342587.db2.gz LQUFJMNVVKQTOY-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250247889 542342589 /nfs/dbraw/zinc/34/25/89/542342589.db2.gz LQUFJMNVVKQTOY-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000251147295 542345582 /nfs/dbraw/zinc/34/55/82/542345582.db2.gz GEINXAMACOBKQG-FUHWJXTLSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253013632 542351545 /nfs/dbraw/zinc/35/15/45/542351545.db2.gz FHVHBRDLCNRNQG-RHSMWYFYSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253013632 542351551 /nfs/dbraw/zinc/35/15/51/542351551.db2.gz FHVHBRDLCNRNQG-RHSMWYFYSA-N 2 1 276.399 3.098 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000280891801 195017444 /nfs/dbraw/zinc/01/74/44/195017444.db2.gz QBENQSJRHMDUJH-JJRVBVJISA-N 2 1 292.492 3.269 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000280963588 195048350 /nfs/dbraw/zinc/04/83/50/195048350.db2.gz ZFBIIJUSAPLCFF-IKICRFKJSA-N 2 1 290.426 3.392 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000335345892 208240481 /nfs/dbraw/zinc/24/04/81/208240481.db2.gz QUQUIAQVTQGDHQ-QWHCGFSZSA-N 2 1 255.365 3.083 20 0 CGADMP CC[N@H+](Cc1cc(Cl)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435387953 285095155 /nfs/dbraw/zinc/09/51/55/285095155.db2.gz CHAUJIHGNJYPQN-OAHLLOKOSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1cc(Cl)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435387953 285095156 /nfs/dbraw/zinc/09/51/56/285095156.db2.gz CHAUJIHGNJYPQN-OAHLLOKOSA-N 2 1 296.842 3.313 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000353747285 220300842 /nfs/dbraw/zinc/30/08/42/220300842.db2.gz FNNMTLMVIQDFML-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000353747285 220300847 /nfs/dbraw/zinc/30/08/47/220300847.db2.gz FNNMTLMVIQDFML-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000353747285 220300851 /nfs/dbraw/zinc/30/08/51/220300851.db2.gz FNNMTLMVIQDFML-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(C)c2)C[C@@H]1C ZINC000353751297 220306594 /nfs/dbraw/zinc/30/65/94/220306594.db2.gz XUWFNERSSKJIJI-GOEBONIOSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(C)c2)C[C@@H]1C ZINC000353751297 220306597 /nfs/dbraw/zinc/30/65/97/220306597.db2.gz XUWFNERSSKJIJI-GOEBONIOSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C)c2)C[C@@H]1C ZINC000353751297 220306599 /nfs/dbraw/zinc/30/65/99/220306599.db2.gz XUWFNERSSKJIJI-GOEBONIOSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C)c2)C[C@@H]1C ZINC000353751297 220306602 /nfs/dbraw/zinc/30/66/02/220306602.db2.gz XUWFNERSSKJIJI-GOEBONIOSA-N 2 1 278.415 3.439 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000289322551 197296291 /nfs/dbraw/zinc/29/62/91/197296291.db2.gz UUPIOBNOQWHWTH-CXAGYDPISA-N 2 1 269.392 3.420 20 0 CGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000289244245 197273141 /nfs/dbraw/zinc/27/31/41/197273141.db2.gz NCIFJRCZZVTMQS-OAHLLOKOSA-N 2 1 294.414 3.142 20 0 CGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000289244245 197273143 /nfs/dbraw/zinc/27/31/43/197273143.db2.gz NCIFJRCZZVTMQS-OAHLLOKOSA-N 2 1 294.414 3.142 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(C)c3ccccc32)CC1 ZINC000334579909 285191584 /nfs/dbraw/zinc/19/15/84/285191584.db2.gz OUMSKZLMESVIPN-QGZVFWFLSA-N 2 1 287.451 3.032 20 0 CGADMP COC[C@@H](CC(C)C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480604168 285218275 /nfs/dbraw/zinc/21/82/75/285218275.db2.gz GAOCETXTMUDODR-FGTMMUONSA-N 2 1 298.515 3.395 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)c(Cl)c1 ZINC000424269687 533169678 /nfs/dbraw/zinc/16/96/78/533169678.db2.gz MQNMIBFSXJUMHF-NSHDSACASA-N 2 1 293.798 3.204 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000312001600 542431460 /nfs/dbraw/zinc/43/14/60/542431460.db2.gz GVPYYKWFDMPDEC-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000312001595 542431688 /nfs/dbraw/zinc/43/16/88/542431688.db2.gz GVPYYKWFDMPDEC-HYVNUMGLSA-N 2 1 264.457 3.419 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+]CC3([NH3+])CCC3)c(C)c2c1 ZINC000423321310 533359099 /nfs/dbraw/zinc/35/90/99/533359099.db2.gz HAZAYQHSDFODKN-LBPRGKRZSA-N 2 1 288.391 3.282 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H](C)c1ccc(Cl)cc1 ZINC000423365223 533521622 /nfs/dbraw/zinc/52/16/22/533521622.db2.gz WHAGKOFDPPVQLB-YWPYICTPSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1N(C)C ZINC000423264292 533536773 /nfs/dbraw/zinc/53/67/73/533536773.db2.gz PUDYTWWHKZFENT-RHSMWYFYSA-N 2 1 289.467 3.311 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000156169538 533543616 /nfs/dbraw/zinc/54/36/16/533543616.db2.gz OPGYLELBNDOWBX-JMSVASOKSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000156169538 533543619 /nfs/dbraw/zinc/54/36/19/533543619.db2.gz OPGYLELBNDOWBX-JMSVASOKSA-N 2 1 266.816 3.473 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(-c2ccccc2)c1)C1CC1 ZINC000414809506 542639933 /nfs/dbraw/zinc/63/99/33/542639933.db2.gz UHWVAMOADTYLQJ-GOSISDBHSA-N 2 1 266.388 3.181 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000051626157 392071152 /nfs/dbraw/zinc/07/11/52/392071152.db2.gz NOVIMAGQCZCPHH-NPYXIHBLSA-N 2 1 258.409 3.353 20 0 CGADMP C[N@H+](C/C=C/Cl)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821634 392232142 /nfs/dbraw/zinc/23/21/42/392232142.db2.gz RADDQCRCARDSDK-KRXBUXKQSA-N 2 1 293.842 3.372 20 0 CGADMP CC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000434773021 542656903 /nfs/dbraw/zinc/65/69/03/542656903.db2.gz FCLNIXIXCBDTPW-SFHVURJKSA-N 2 1 286.463 3.331 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000361896509 392357822 /nfs/dbraw/zinc/35/78/22/392357822.db2.gz JKMCDFBAFXMIHC-UHFFFAOYSA-N 2 1 292.471 3.127 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000453289736 542681312 /nfs/dbraw/zinc/68/13/12/542681312.db2.gz MNEVPNVLTTVCHE-RTBURBONSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000453289736 542681316 /nfs/dbraw/zinc/68/13/16/542681316.db2.gz MNEVPNVLTTVCHE-RTBURBONSA-N 2 1 295.430 3.315 20 0 CGADMP FCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367075653 392469585 /nfs/dbraw/zinc/46/95/85/392469585.db2.gz WGTVKGAJNQXDJP-ZBFHGGJFSA-N 2 1 268.420 3.075 20 0 CGADMP FCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367075653 392469591 /nfs/dbraw/zinc/46/95/91/392469591.db2.gz WGTVKGAJNQXDJP-ZBFHGGJFSA-N 2 1 268.420 3.075 20 0 CGADMP FCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367075653 392469594 /nfs/dbraw/zinc/46/95/94/392469594.db2.gz WGTVKGAJNQXDJP-ZBFHGGJFSA-N 2 1 268.420 3.075 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccc4ccccc4c3)C2)C1 ZINC000366482154 392454453 /nfs/dbraw/zinc/45/44/53/392454453.db2.gz MRZHZXQYPILJSZ-FQEVSTJZSA-N 2 1 294.442 3.410 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccc4ccccc4c3)C2)C1 ZINC000366482154 392454457 /nfs/dbraw/zinc/45/44/57/392454457.db2.gz MRZHZXQYPILJSZ-FQEVSTJZSA-N 2 1 294.442 3.410 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccc4ccccc4c3)C2)C1 ZINC000366482154 392454461 /nfs/dbraw/zinc/45/44/61/392454461.db2.gz MRZHZXQYPILJSZ-FQEVSTJZSA-N 2 1 294.442 3.410 20 0 CGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000293751425 392526965 /nfs/dbraw/zinc/52/69/65/392526965.db2.gz QIVKZTRLOJDDSY-DKIMLUQUSA-N 2 1 288.410 3.288 20 0 CGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000151908525 392487653 /nfs/dbraw/zinc/48/76/53/392487653.db2.gz KCGWCSKZJHGVLS-CQSZACIVSA-N 2 1 282.815 3.095 20 0 CGADMP CC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947175 392489651 /nfs/dbraw/zinc/48/96/51/392489651.db2.gz PSTQBLIHWIKCHP-BHYGNILZSA-N 2 1 290.451 3.465 20 0 CGADMP CC[C@H](N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947175 392489654 /nfs/dbraw/zinc/48/96/54/392489654.db2.gz PSTQBLIHWIKCHP-BHYGNILZSA-N 2 1 290.451 3.465 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cncs1 ZINC000157921555 392551820 /nfs/dbraw/zinc/55/18/20/392551820.db2.gz HIIDCQPZJRTKCK-KBPBESRZSA-N 2 1 281.469 3.306 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000300239893 392581604 /nfs/dbraw/zinc/58/16/04/392581604.db2.gz NFEAOUXWIVOEMX-LVQVYYBASA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000300239893 392581606 /nfs/dbraw/zinc/58/16/06/392581606.db2.gz NFEAOUXWIVOEMX-LVQVYYBASA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccsc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000162035581 392589537 /nfs/dbraw/zinc/58/95/37/392589537.db2.gz FYKPNVBSMNZDLK-CQSZACIVSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccsc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000162035581 392589541 /nfs/dbraw/zinc/58/95/41/392589541.db2.gz FYKPNVBSMNZDLK-CQSZACIVSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccsc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000162035581 392589546 /nfs/dbraw/zinc/58/95/46/392589546.db2.gz FYKPNVBSMNZDLK-CQSZACIVSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccsc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000162035581 392589550 /nfs/dbraw/zinc/58/95/50/392589550.db2.gz FYKPNVBSMNZDLK-CQSZACIVSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+](CC1CC1)CC1CC1 ZINC000161925298 392589640 /nfs/dbraw/zinc/58/96/40/392589640.db2.gz ZPIADSOLHCJWPB-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP CS[C@@H]1CCCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162585332 392598163 /nfs/dbraw/zinc/59/81/63/392598163.db2.gz PKGCFHTWXNUPMM-OAHLLOKOSA-N 2 1 281.469 3.189 20 0 CGADMP CS[C@@H]1CCCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162585332 392598166 /nfs/dbraw/zinc/59/81/66/392598166.db2.gz PKGCFHTWXNUPMM-OAHLLOKOSA-N 2 1 281.469 3.189 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCC23CCC3)[C@H](c2ccccc2)C1 ZINC000647344428 392693093 /nfs/dbraw/zinc/69/30/93/392693093.db2.gz QLSKPFKQKBFYNA-SQNIBIBYSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000647344087 392693416 /nfs/dbraw/zinc/69/34/16/392693416.db2.gz ISAVIINILHXRFG-UAGQMJEPSA-N 2 1 274.452 3.356 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000178090782 392671710 /nfs/dbraw/zinc/67/17/10/392671710.db2.gz ZEPDHZDRQMHRQR-BFQNTYOBSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000178090782 392671712 /nfs/dbraw/zinc/67/17/12/392671712.db2.gz ZEPDHZDRQMHRQR-BFQNTYOBSA-N 2 1 278.827 3.400 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3cccc(F)c3)CCC2)CC1 ZINC000647330519 392674031 /nfs/dbraw/zinc/67/40/31/392674031.db2.gz KKHXCBHPAYHTNB-UHFFFAOYSA-N 2 1 276.399 3.279 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000647344808 392694915 /nfs/dbraw/zinc/69/49/15/392694915.db2.gz ZQQOKJNFBPKFCA-JQHSSLGASA-N 2 1 295.430 3.078 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000647344808 392694920 /nfs/dbraw/zinc/69/49/20/392694920.db2.gz ZQQOKJNFBPKFCA-JQHSSLGASA-N 2 1 295.430 3.078 20 0 CGADMP CN1CC[C@@H](C[N@@H+](C)[C@H]2C=CCCC2)[C@@H]1c1cccnc1 ZINC000372574916 392619379 /nfs/dbraw/zinc/61/93/79/392619379.db2.gz PTLQYTKRPJUPHU-BZSNNMDCSA-N 2 1 285.435 3.115 20 0 CGADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000647281181 392633500 /nfs/dbraw/zinc/63/35/00/392633500.db2.gz AWLJNWCSLOOJED-SFHVURJKSA-N 2 1 287.451 3.385 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccncc1 ZINC000647282312 392635857 /nfs/dbraw/zinc/63/58/57/392635857.db2.gz NPHOOVNRFXPTEE-MAUKXSAKSA-N 2 1 287.451 3.243 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647303659 392652352 /nfs/dbraw/zinc/65/23/52/392652352.db2.gz HTJHHINVYLMSLT-GFCCVEGCSA-N 2 1 262.388 3.274 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647303659 392652355 /nfs/dbraw/zinc/65/23/55/392652355.db2.gz HTJHHINVYLMSLT-GFCCVEGCSA-N 2 1 262.388 3.274 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)CC1 ZINC000372990880 392654255 /nfs/dbraw/zinc/65/42/55/392654255.db2.gz QXJPTEJDWMBZTR-OAHLLOKOSA-N 2 1 296.455 3.334 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2)CC1 ZINC000372990880 392654257 /nfs/dbraw/zinc/65/42/57/392654257.db2.gz QXJPTEJDWMBZTR-OAHLLOKOSA-N 2 1 296.455 3.334 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCSc1ccccc1)CC2 ZINC000374991843 392723724 /nfs/dbraw/zinc/72/37/24/392723724.db2.gz ZLTGALSSMYTZQL-UHFFFAOYSA-N 2 1 290.476 3.339 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCSc1ccccc1)CC2 ZINC000374991843 392723732 /nfs/dbraw/zinc/72/37/32/392723732.db2.gz ZLTGALSSMYTZQL-UHFFFAOYSA-N 2 1 290.476 3.339 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334401891 392726238 /nfs/dbraw/zinc/72/62/38/392726238.db2.gz NWOZQZNSGKIOTF-OAHLLOKOSA-N 2 1 296.418 3.307 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479729 392735081 /nfs/dbraw/zinc/73/50/81/392735081.db2.gz RCCLHQRYKZXDAE-MAUKXSAKSA-N 2 1 290.426 3.352 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479729 392735086 /nfs/dbraw/zinc/73/50/86/392735086.db2.gz RCCLHQRYKZXDAE-MAUKXSAKSA-N 2 1 290.426 3.352 20 0 CGADMP c1cc(C2CC2)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482690 392737572 /nfs/dbraw/zinc/73/75/72/392737572.db2.gz YNUKQVVLQZUHRS-UHFFFAOYSA-N 2 1 270.420 3.280 20 0 CGADMP FC(F)Oc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482921 392737925 /nfs/dbraw/zinc/73/79/25/392737925.db2.gz JWWXASTZLCTWTO-UHFFFAOYSA-N 2 1 296.361 3.004 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000647497365 392740729 /nfs/dbraw/zinc/74/07/29/392740729.db2.gz FAMPRRXWWXKCAC-SJLPKXTDSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]C1 ZINC000647514207 392746800 /nfs/dbraw/zinc/74/68/00/392746800.db2.gz PLZZSQFIQJPJTD-APWZRJJASA-N 2 1 297.446 3.347 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000647541535 392757940 /nfs/dbraw/zinc/75/79/40/392757940.db2.gz YIRWUDYNUUDRDD-SFHVURJKSA-N 2 1 270.420 3.140 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542735 392759698 /nfs/dbraw/zinc/75/96/98/392759698.db2.gz BBMQFBKRHKBURN-HZPDHXFCSA-N 2 1 276.399 3.037 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000186116173 392778402 /nfs/dbraw/zinc/77/84/02/392778402.db2.gz PFDRMTVJXQBQRY-LBPRGKRZSA-N 2 1 294.464 3.282 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000510717557 392811835 /nfs/dbraw/zinc/81/18/35/392811835.db2.gz RMJZFRKYWGHPOS-CYBMUJFWSA-N 2 1 294.389 3.137 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647879493 392820791 /nfs/dbraw/zinc/82/07/91/392820791.db2.gz ASKAWVGONPIVTO-RDTXWAMCSA-N 2 1 270.420 3.138 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337529382 392889230 /nfs/dbraw/zinc/88/92/30/392889230.db2.gz UCSHQDVRZVYJAM-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337998522 392895836 /nfs/dbraw/zinc/89/58/36/392895836.db2.gz NVAPBMKLCFLBLG-JJXSEGSLSA-N 2 1 268.420 3.121 20 0 CGADMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)CC1CCC1 ZINC000647991596 392858901 /nfs/dbraw/zinc/85/89/01/392858901.db2.gz PPBQKMUVFWRBEW-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000513756561 542733341 /nfs/dbraw/zinc/73/33/41/542733341.db2.gz YVOCPTFSFXYANM-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459416561 392943624 /nfs/dbraw/zinc/94/36/24/392943624.db2.gz CJZFQRUXEMNHKR-HZPDHXFCSA-N 2 1 282.497 3.267 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC000339426125 392956492 /nfs/dbraw/zinc/95/64/92/392956492.db2.gz KNSPAFXPCHECJO-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC000339426125 392956497 /nfs/dbraw/zinc/95/64/97/392956497.db2.gz KNSPAFXPCHECJO-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC000339426125 392956501 /nfs/dbraw/zinc/95/65/01/392956501.db2.gz KNSPAFXPCHECJO-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000340174625 392966421 /nfs/dbraw/zinc/96/64/21/392966421.db2.gz RNKIVPFQQTWSDB-MOPGFXCFSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000340174625 392966426 /nfs/dbraw/zinc/96/64/26/392966426.db2.gz RNKIVPFQQTWSDB-MOPGFXCFSA-N 2 1 295.430 3.049 20 0 CGADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)CC[C@@H]1CCCC[NH+]1C ZINC000340281638 392968003 /nfs/dbraw/zinc/96/80/03/392968003.db2.gz WTRSPSXSKFHQEN-ROUUACIJSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)[NH+]1CCCC[C@H]1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000340281638 392968008 /nfs/dbraw/zinc/96/80/08/392968008.db2.gz WTRSPSXSKFHQEN-ROUUACIJSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)[NH+]1CCCC[C@H]1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000340281638 392968016 /nfs/dbraw/zinc/96/80/16/392968016.db2.gz WTRSPSXSKFHQEN-ROUUACIJSA-N 2 1 295.515 3.056 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000340304413 392969823 /nfs/dbraw/zinc/96/98/23/392969823.db2.gz VCXVLUXSEZNOQW-HZPDHXFCSA-N 2 1 258.409 3.212 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000340304413 392969829 /nfs/dbraw/zinc/96/98/29/392969829.db2.gz VCXVLUXSEZNOQW-HZPDHXFCSA-N 2 1 258.409 3.212 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[C@H]1c1ccccc1 ZINC000340387811 392971399 /nfs/dbraw/zinc/97/13/99/392971399.db2.gz BWRSCESXKQOINR-YVSFHVDLSA-N 2 1 276.399 3.302 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[C@H]1c1ccccc1 ZINC000340387811 392971401 /nfs/dbraw/zinc/97/14/01/392971401.db2.gz BWRSCESXKQOINR-YVSFHVDLSA-N 2 1 276.399 3.302 20 0 CGADMP CC[C@@H]1Cc2ccccc2C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000342353705 393000212 /nfs/dbraw/zinc/00/02/12/393000212.db2.gz DZCVCIXIEVWOCL-QZTJIDSGSA-N 2 1 272.436 3.308 20 0 CGADMP CC[C@@H]1Cc2ccccc2C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000342353705 393000214 /nfs/dbraw/zinc/00/02/14/393000214.db2.gz DZCVCIXIEVWOCL-QZTJIDSGSA-N 2 1 272.436 3.308 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C[C@@H]1C ZINC000414991684 393082294 /nfs/dbraw/zinc/08/22/94/393082294.db2.gz AQQYPEWWHYECIL-AJNGGQMLSA-N 2 1 288.426 3.282 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247966775 393082504 /nfs/dbraw/zinc/08/25/04/393082504.db2.gz GXEZYYJHLBLWGM-CPUCHLNUSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247966775 393082512 /nfs/dbraw/zinc/08/25/12/393082512.db2.gz GXEZYYJHLBLWGM-CPUCHLNUSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247966775 393082519 /nfs/dbraw/zinc/08/25/19/393082519.db2.gz GXEZYYJHLBLWGM-CPUCHLNUSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247966775 393082524 /nfs/dbraw/zinc/08/25/24/393082524.db2.gz GXEZYYJHLBLWGM-CPUCHLNUSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346825177 393096054 /nfs/dbraw/zinc/09/60/54/393096054.db2.gz AURMRIDESFZOTM-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP CCCCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415014013 393097088 /nfs/dbraw/zinc/09/70/88/393097088.db2.gz WDSMYPGWSQYLJV-ZIAGYGMSSA-N 2 1 264.413 3.081 20 0 CGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414730233 393051780 /nfs/dbraw/zinc/05/17/80/393051780.db2.gz AJOMIGWSEXWBFH-ZENOOKHLSA-N 2 1 298.858 3.379 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414700853 393053092 /nfs/dbraw/zinc/05/30/92/393053092.db2.gz GQGVGXUXJQOMHY-STQMWFEESA-N 2 1 278.827 3.086 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000415051383 393114263 /nfs/dbraw/zinc/11/42/63/393114263.db2.gz JNRQYKRFCWVMCF-GFCCVEGCSA-N 2 1 274.330 3.168 20 0 CGADMP CCc1nc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cs1 ZINC000415058096 393119874 /nfs/dbraw/zinc/11/98/74/393119874.db2.gz SIZFTWYYMHTFKP-HNNXBMFYSA-N 2 1 289.448 3.275 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058785 393120535 /nfs/dbraw/zinc/12/05/35/393120535.db2.gz WFBPYDWQIFFUIT-OIWWRSOPSA-N 2 1 288.410 3.303 20 0 CGADMP Clc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415059552 393121649 /nfs/dbraw/zinc/12/16/49/393121649.db2.gz XDNFGNSNHPFADG-WCQYABFASA-N 2 1 284.856 3.366 20 0 CGADMP Clc1ccsc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415059552 393121653 /nfs/dbraw/zinc/12/16/53/393121653.db2.gz XDNFGNSNHPFADG-WCQYABFASA-N 2 1 284.856 3.366 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000261560314 393140262 /nfs/dbraw/zinc/14/02/62/393140262.db2.gz FGGTXWPPFNSXDG-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000415088781 393140893 /nfs/dbraw/zinc/14/08/93/393140893.db2.gz XXLQTVFSYAOGJA-XMTFNYHQSA-N 2 1 288.435 3.027 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000261560311 393141156 /nfs/dbraw/zinc/14/11/56/393141156.db2.gz FGGTXWPPFNSXDG-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000261659627 393141558 /nfs/dbraw/zinc/14/15/58/393141558.db2.gz ZARAXXIRGJJIIG-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261929385 393143481 /nfs/dbraw/zinc/14/34/81/393143481.db2.gz ZQIXCASGFJLIGC-GJZGRUSLSA-N 2 1 268.351 3.087 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261929385 393143487 /nfs/dbraw/zinc/14/34/87/393143487.db2.gz ZQIXCASGFJLIGC-GJZGRUSLSA-N 2 1 268.351 3.087 20 0 CGADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000415104065 393147544 /nfs/dbraw/zinc/14/75/44/393147544.db2.gz DMJAPKDXDGGKPG-FGTMMUONSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000415115308 393149131 /nfs/dbraw/zinc/14/91/31/393149131.db2.gz DNCREPKTUANTIX-RISCZKNCSA-N 2 1 254.805 3.364 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000415124619 393151761 /nfs/dbraw/zinc/15/17/61/393151761.db2.gz OQUITUCHGCLUAI-TZMCWYRMSA-N 2 1 296.842 3.169 20 0 CGADMP C[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C[C@@H]1C[NH3+] ZINC000415134936 393155530 /nfs/dbraw/zinc/15/55/30/393155530.db2.gz WLVODSZWWGFYPN-JSGCOSHPSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C[C@@H]1C[NH3+] ZINC000415134936 393155537 /nfs/dbraw/zinc/15/55/37/393155537.db2.gz WLVODSZWWGFYPN-JSGCOSHPSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000271919911 393257239 /nfs/dbraw/zinc/25/72/39/393257239.db2.gz ZVWRXXARUASTHV-KSSFIOAISA-N 2 1 270.420 3.477 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000469330079 393185952 /nfs/dbraw/zinc/18/59/52/393185952.db2.gz OVPHNQMRMPBMCZ-NEWSRXKRSA-N 2 1 288.479 3.431 20 0 CGADMP CC(C)C[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000475205962 393381011 /nfs/dbraw/zinc/38/10/11/393381011.db2.gz AYVJISKHZZDJLV-GBESFXJTSA-N 2 1 286.463 3.310 20 0 CGADMP CC(C)C[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000475205962 393381017 /nfs/dbraw/zinc/38/10/17/393381017.db2.gz AYVJISKHZZDJLV-GBESFXJTSA-N 2 1 286.463 3.310 20 0 CGADMP CC(C)C[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000475205962 393381022 /nfs/dbraw/zinc/38/10/22/393381022.db2.gz AYVJISKHZZDJLV-GBESFXJTSA-N 2 1 286.463 3.310 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647212381 393390937 /nfs/dbraw/zinc/39/09/37/393390937.db2.gz QZMXOCFEVAPDSS-GFCCVEGCSA-N 2 1 262.388 3.274 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647212381 393390941 /nfs/dbraw/zinc/39/09/41/393390941.db2.gz QZMXOCFEVAPDSS-GFCCVEGCSA-N 2 1 262.388 3.274 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000475343548 393394432 /nfs/dbraw/zinc/39/44/32/393394432.db2.gz QXZXZLDMRGWMDU-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C1CCCC1 ZINC000474710450 393342022 /nfs/dbraw/zinc/34/20/22/393342022.db2.gz PSPFBISOJMDIPW-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C1CCCC1 ZINC000474710450 393342023 /nfs/dbraw/zinc/34/20/23/393342023.db2.gz PSPFBISOJMDIPW-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+](CC[NH2+]C1CCC(F)(F)CC1)C1CCCCC1 ZINC000647175992 393370368 /nfs/dbraw/zinc/37/03/68/393370368.db2.gz PKIWBQNADNCBFX-UHFFFAOYSA-N 2 1 274.399 3.418 20 0 CGADMP C[N@@H+](CC[NH2+]C1CCC(F)(F)CC1)C1CCCCC1 ZINC000647175992 393370376 /nfs/dbraw/zinc/37/03/76/393370376.db2.gz PKIWBQNADNCBFX-UHFFFAOYSA-N 2 1 274.399 3.418 20 0 CGADMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000475736111 393414756 /nfs/dbraw/zinc/41/47/56/393414756.db2.gz GMINMDRFOBLULZ-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP c1ccc2sc([C@@H]3CCC[N@H+]3C[C@H]3CC[NH2+]C3)nc2c1 ZINC000649411160 393415267 /nfs/dbraw/zinc/41/52/67/393415267.db2.gz YUDRIFNNXDBCGO-JSGCOSHPSA-N 2 1 287.432 3.043 20 0 CGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3C[C@H]3CC[NH2+]C3)nc2c1 ZINC000649411160 393415272 /nfs/dbraw/zinc/41/52/72/393415272.db2.gz YUDRIFNNXDBCGO-JSGCOSHPSA-N 2 1 287.432 3.043 20 0 CGADMP c1ccc(SCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420388001 393480841 /nfs/dbraw/zinc/48/08/41/393480841.db2.gz GVDHSOIIQQOYSD-NVXWUHKLSA-N 2 1 290.476 3.243 20 0 CGADMP CC(C)[C@H]([NH3+])CCN(C)c1cc[nH+]c2ccsc21 ZINC000420209573 393437815 /nfs/dbraw/zinc/43/78/15/393437815.db2.gz TXWJGNMJTLDUFH-LLVKDONJSA-N 2 1 263.410 3.106 20 0 CGADMP [NH3+]CCCN(CC1CCCC1)c1cc[nH+]cc1Cl ZINC000420247291 393442429 /nfs/dbraw/zinc/44/24/29/393442429.db2.gz GWGHCJFSTCXLDO-UHFFFAOYSA-N 2 1 267.804 3.080 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000420404173 393484352 /nfs/dbraw/zinc/48/43/52/393484352.db2.gz LTQPASQAFBSTHG-AWEZNQCLSA-N 2 1 270.367 3.251 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1csc2ccccc12 ZINC000420297743 393452888 /nfs/dbraw/zinc/45/28/88/393452888.db2.gz DKBYGHJBJGGVNL-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420298358 393453208 /nfs/dbraw/zinc/45/32/08/393453208.db2.gz FBHJEPOTJSPZNH-CQSZACIVSA-N 2 1 264.388 3.036 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420301723 393455569 /nfs/dbraw/zinc/45/55/69/393455569.db2.gz IXIKMPUPNVFCNQ-RHSMWYFYSA-N 2 1 276.399 3.352 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000420300066 393456085 /nfs/dbraw/zinc/45/60/85/393456085.db2.gz HAOCKSASQSESKH-GOSISDBHSA-N 2 1 274.452 3.331 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420305818 393457283 /nfs/dbraw/zinc/45/72/83/393457283.db2.gz QARPGFVFLLWMRB-RBUKOAKNSA-N 2 1 286.463 3.392 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420304419 393458171 /nfs/dbraw/zinc/45/81/71/393458171.db2.gz OLPBINHSDSZXAX-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420310922 393459160 /nfs/dbraw/zinc/45/91/60/393459160.db2.gz VJTKWDVPJIRDIT-KEYYUXOJSA-N 2 1 276.399 3.208 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420315305 393460474 /nfs/dbraw/zinc/46/04/74/393460474.db2.gz LOQORXPPFYKUPP-MAUKXSAKSA-N 2 1 288.435 3.222 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420315306 393461215 /nfs/dbraw/zinc/46/12/15/393461215.db2.gz LOQORXPPFYKUPP-QAPCUYQASA-N 2 1 288.435 3.222 20 0 CGADMP Fc1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)CC2CC2)cc1 ZINC000420312710 393461912 /nfs/dbraw/zinc/46/19/12/393461912.db2.gz XBOUDNYQPZTYAY-CQSZACIVSA-N 2 1 276.399 3.037 20 0 CGADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000420318762 393463508 /nfs/dbraw/zinc/46/35/08/393463508.db2.gz OUPPGNGTTDMNBQ-GUYCJALGSA-N 2 1 254.377 3.324 20 0 CGADMP CC[N@@H+](CCCCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000420319593 393463567 /nfs/dbraw/zinc/46/35/67/393463567.db2.gz XVZHYDPZDYVMDG-LBPRGKRZSA-N 2 1 266.351 3.183 20 0 CGADMP CCC[N@@H+](CCCc1ccsc1)C1CC[NH2+]CC1 ZINC000420317425 393463854 /nfs/dbraw/zinc/46/38/54/393463854.db2.gz MYLMZUNVHYRGKW-UHFFFAOYSA-N 2 1 266.454 3.145 20 0 CGADMP FCCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321144 393465145 /nfs/dbraw/zinc/46/51/45/393465145.db2.gz ZPUMKLBDIAAJJA-AWEZNQCLSA-N 2 1 282.428 3.052 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420321056 393466693 /nfs/dbraw/zinc/46/66/93/393466693.db2.gz CFMSHRCVPVNAQN-BHYGNILZSA-N 2 1 288.435 3.078 20 0 CGADMP Cc1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C(C)C)s1 ZINC000420324483 393467259 /nfs/dbraw/zinc/46/72/59/393467259.db2.gz VLSUQXGCBUVLTI-AWEZNQCLSA-N 2 1 266.454 3.267 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325570 393468600 /nfs/dbraw/zinc/46/86/00/393468600.db2.gz IVQSFYLECSOTET-CABCVRRESA-N 2 1 290.476 3.230 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000420372756 393476992 /nfs/dbraw/zinc/47/69/92/393476992.db2.gz LYSPQYIGSGXVJC-ZDUSSCGKSA-N 2 1 286.341 3.104 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000488357011 393496142 /nfs/dbraw/zinc/49/61/42/393496142.db2.gz OQJNARQTTTUJGN-QFBILLFUSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000357683883 393513757 /nfs/dbraw/zinc/51/37/57/393513757.db2.gz ABLVEBUFXOCOKU-INIZCTEOSA-N 2 1 281.403 3.101 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000488465028 393523344 /nfs/dbraw/zinc/52/33/44/393523344.db2.gz UAYKEWSDRMYYEQ-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000488465028 393523350 /nfs/dbraw/zinc/52/33/50/393523350.db2.gz UAYKEWSDRMYYEQ-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1cn[nH]c1 ZINC000358367878 393524200 /nfs/dbraw/zinc/52/42/00/393524200.db2.gz LLLZFJBZRNQUJM-ZQIUZPCESA-N 2 1 290.455 3.103 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420944195 393551844 /nfs/dbraw/zinc/55/18/44/393551844.db2.gz IXHVYMQARUUTIF-CYBMUJFWSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420944195 393551855 /nfs/dbraw/zinc/55/18/55/393551855.db2.gz IXHVYMQARUUTIF-CYBMUJFWSA-N 2 1 289.345 3.246 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420990791 393567259 /nfs/dbraw/zinc/56/72/59/393567259.db2.gz GQUPFESCHLOUIY-GJZGRUSLSA-N 2 1 282.378 3.457 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420990791 393567260 /nfs/dbraw/zinc/56/72/60/393567260.db2.gz GQUPFESCHLOUIY-GJZGRUSLSA-N 2 1 282.378 3.457 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430559025 393575171 /nfs/dbraw/zinc/57/51/71/393575171.db2.gz WSKMVRHYGNNHME-MQIPJXDCSA-N 2 1 282.378 3.475 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430559025 393575174 /nfs/dbraw/zinc/57/51/74/393575174.db2.gz WSKMVRHYGNNHME-MQIPJXDCSA-N 2 1 282.378 3.475 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000430567412 393576076 /nfs/dbraw/zinc/57/60/76/393576076.db2.gz FQLTVFIBYNIPKA-JKSUJKDBSA-N 2 1 264.388 3.118 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000430567411 393576172 /nfs/dbraw/zinc/57/61/72/393576172.db2.gz FQLTVFIBYNIPKA-HZPDHXFCSA-N 2 1 264.388 3.118 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000666770864 542814675 /nfs/dbraw/zinc/81/46/75/542814675.db2.gz WHQCZAYGQQQOQR-SWLSCSKDSA-N 2 1 266.816 3.175 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000666770862 542814794 /nfs/dbraw/zinc/81/47/94/542814794.db2.gz WHQCZAYGQQQOQR-DOMZBBRYSA-N 2 1 266.816 3.175 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(Cl)c1Cl ZINC000666857596 542822112 /nfs/dbraw/zinc/82/21/12/542822112.db2.gz AGLDXSANWQTBSK-JTQLQIEISA-N 2 1 291.197 3.364 20 0 CGADMP CC(C)(C)c1cccc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000430657432 393584435 /nfs/dbraw/zinc/58/44/35/393584435.db2.gz VYDYENKCWUBAHK-HNNXBMFYSA-N 2 1 290.451 3.034 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432414457 393611107 /nfs/dbraw/zinc/61/11/07/393611107.db2.gz KTEWITBHUBRWBC-SJORKVTESA-N 2 1 290.451 3.147 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432414457 393611109 /nfs/dbraw/zinc/61/11/09/393611109.db2.gz KTEWITBHUBRWBC-SJORKVTESA-N 2 1 290.451 3.147 20 0 CGADMP C[C@@H](CCC1CCCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419436 393612013 /nfs/dbraw/zinc/61/20/13/393612013.db2.gz BUFKMSGZXMCGHS-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](CCC1CCCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419436 393612016 /nfs/dbraw/zinc/61/20/16/393612016.db2.gz BUFKMSGZXMCGHS-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000360947928 393621318 /nfs/dbraw/zinc/62/13/18/393621318.db2.gz OSDCRMCYNFZPII-SFHVURJKSA-N 2 1 285.435 3.439 20 0 CGADMP CC[C@@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000490013123 393625535 /nfs/dbraw/zinc/62/55/35/393625535.db2.gz LROWEAZRVLHAER-FUHWJXTLSA-N 2 1 272.436 3.256 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422812820 393644393 /nfs/dbraw/zinc/64/43/93/393644393.db2.gz RATUGTSPZKTQQW-PVAVHDDUSA-N 2 1 260.425 3.014 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422897078 393646415 /nfs/dbraw/zinc/64/64/15/393646415.db2.gz BKCHBKVGIPLHTH-WBVHZDCISA-N 2 1 272.436 3.147 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CCC2 ZINC000423137631 393651859 /nfs/dbraw/zinc/65/18/59/393651859.db2.gz WNNRAAVPWPFUFD-XOKHGSTOSA-N 2 1 258.409 3.103 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccnc1 ZINC000423175134 393652889 /nfs/dbraw/zinc/65/28/89/393652889.db2.gz DDRTTWSNKYSPBS-OAHLLOKOSA-N 2 1 261.413 3.030 20 0 CGADMP CC1(C)CC[C@@H]([NH2+][C@H](C[NH3+])C2CC2)c2ccccc21 ZINC000423275600 393657533 /nfs/dbraw/zinc/65/75/33/393657533.db2.gz LWHKCLHEDGQZKN-HZPDHXFCSA-N 2 1 258.409 3.126 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000423293755 393658704 /nfs/dbraw/zinc/65/87/04/393658704.db2.gz ARJGUQAJJCUPCR-CABCVRRESA-N 2 1 252.377 3.384 20 0 CGADMP C[C@@]1(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423345351 393662231 /nfs/dbraw/zinc/66/22/31/393662231.db2.gz YVQNVDKIGRMNTN-DOTOQJQBSA-N 2 1 292.398 3.019 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCC2CCCCC2)CCCO1 ZINC000433024082 393670627 /nfs/dbraw/zinc/67/06/27/393670627.db2.gz VISRXSKHORRDCB-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP COCC[NH+]1CCC([NH2+]CC[C@@H](C)CC(C)(C)C)CC1 ZINC000443192442 393748744 /nfs/dbraw/zinc/74/87/44/393748744.db2.gz JQLLWJSYJCWAFQ-OAHLLOKOSA-N 2 1 284.488 3.149 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C(C)C ZINC000361216293 393703463 /nfs/dbraw/zinc/70/34/63/393703463.db2.gz LUPUXXVCFWVSAE-KRWDZBQOSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1CC1 ZINC000361221743 393704960 /nfs/dbraw/zinc/70/49/60/393704960.db2.gz VCEAQCXODUSKNH-QGZVFWFLSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000492817497 393767148 /nfs/dbraw/zinc/76/71/48/393767148.db2.gz KNIVZBLKISHDGV-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000443640458 393768606 /nfs/dbraw/zinc/76/86/06/393768606.db2.gz NFFQUIBEWRROMP-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@H](C)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000443640458 393768609 /nfs/dbraw/zinc/76/86/09/393768609.db2.gz NFFQUIBEWRROMP-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@H](C)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000443640458 393768611 /nfs/dbraw/zinc/76/86/11/393768611.db2.gz NFFQUIBEWRROMP-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495013297 393777234 /nfs/dbraw/zinc/77/72/34/393777234.db2.gz AOYXWLSRCJMMLH-MGPQQGTHSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499163032 393794175 /nfs/dbraw/zinc/79/41/75/393794175.db2.gz DJKRXGKDPZMMHR-QTUASDBPSA-N 2 1 284.447 3.428 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC2CCOCC2)[C@H](C)C1 ZINC000499547219 393800011 /nfs/dbraw/zinc/80/00/11/393800011.db2.gz HQUHNMQATZOZPL-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC2CCOCC2)[C@H](C)C1 ZINC000499547219 393800014 /nfs/dbraw/zinc/80/00/14/393800014.db2.gz HQUHNMQATZOZPL-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000502698574 393882621 /nfs/dbraw/zinc/88/26/21/393882621.db2.gz NQLJNGIWZXARRX-DZVNLGKHSA-N 2 1 296.499 3.148 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000502709850 393882809 /nfs/dbraw/zinc/88/28/09/393882809.db2.gz SVZBOSOJHDFKSF-KSZLIROESA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000502709850 393882813 /nfs/dbraw/zinc/88/28/13/393882813.db2.gz SVZBOSOJHDFKSF-KSZLIROESA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000502907035 393887720 /nfs/dbraw/zinc/88/77/20/393887720.db2.gz KWYONTXMTSPCOX-MSOLQXFVSA-N 2 1 296.499 3.247 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000666969017 542830878 /nfs/dbraw/zinc/83/08/78/542830878.db2.gz UOOLTSBMAMMBLQ-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP Fc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995764 542833564 /nfs/dbraw/zinc/83/35/64/542833564.db2.gz ZOTVXRKDJLOWNC-AWEZNQCLSA-N 2 1 282.790 3.243 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1Cl ZINC000666998510 542834606 /nfs/dbraw/zinc/83/46/06/542834606.db2.gz XRBJRBDGYPRLRU-LBPRGKRZSA-N 2 1 282.790 3.243 20 0 CGADMP CCn1ccnc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000453053295 394153612 /nfs/dbraw/zinc/15/36/12/394153612.db2.gz ABDFBGRURDBJSS-HZPDHXFCSA-N 2 1 292.471 3.208 20 0 CGADMP C1CC1[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000453059069 394156323 /nfs/dbraw/zinc/15/63/23/394156323.db2.gz HZBRBRYBIKFULW-IKGGRYGDSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)c2nccn21 ZINC000453061439 394157305 /nfs/dbraw/zinc/15/73/05/394157305.db2.gz PIVHITOFROOCCP-OWCLPIDISA-N 2 1 290.455 3.133 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC000453389959 394228119 /nfs/dbraw/zinc/22/81/19/394228119.db2.gz COHDKQVDVXUYCI-QGZVFWFLSA-N 2 1 276.399 3.277 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453392385 394229469 /nfs/dbraw/zinc/22/94/69/394229469.db2.gz FCUFAHACMPQCLG-KRWDZBQOSA-N 2 1 288.435 3.147 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C1CC1 ZINC000453415051 394240034 /nfs/dbraw/zinc/24/00/34/394240034.db2.gz WZTMKTOGXCSYOH-CQSZACIVSA-N 2 1 297.446 3.099 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H](c1cncc(F)c1)C1CC1)C1CC1 ZINC000453418600 394241197 /nfs/dbraw/zinc/24/11/97/394241197.db2.gz YJVDKMZVZSYGHK-QGZVFWFLSA-N 2 1 291.414 3.136 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000453594413 394252607 /nfs/dbraw/zinc/25/26/07/394252607.db2.gz INBQYPKTGYZPDP-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000453594457 394253345 /nfs/dbraw/zinc/25/33/45/394253345.db2.gz ISYXIQVXHBSOLB-UHFFFAOYSA-N 2 1 271.408 3.132 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601955 394255541 /nfs/dbraw/zinc/25/55/41/394255541.db2.gz OCGSYRXBKMVXSA-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc21 ZINC000667517714 542882984 /nfs/dbraw/zinc/88/29/84/542882984.db2.gz CLERUSBEKGCRKT-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc21 ZINC000667517714 542882987 /nfs/dbraw/zinc/88/29/87/542882987.db2.gz CLERUSBEKGCRKT-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc21 ZINC000667517714 542882989 /nfs/dbraw/zinc/88/29/89/542882989.db2.gz CLERUSBEKGCRKT-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc21 ZINC000667517714 542882992 /nfs/dbraw/zinc/88/29/92/542882992.db2.gz CLERUSBEKGCRKT-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP CC1(C)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667668492 542912412 /nfs/dbraw/zinc/91/24/12/542912412.db2.gz PEZVGBVQZSVDIR-UHFFFAOYSA-N 2 1 284.407 3.279 20 0 CGADMP CC1(C)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667668492 542912414 /nfs/dbraw/zinc/91/24/14/542912414.db2.gz PEZVGBVQZSVDIR-UHFFFAOYSA-N 2 1 284.407 3.279 20 0 CGADMP C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667695115 542919078 /nfs/dbraw/zinc/91/90/78/542919078.db2.gz KDQISFNFGISVCY-HUUCEWRRSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667695115 542919081 /nfs/dbraw/zinc/91/90/81/542919081.db2.gz KDQISFNFGISVCY-HUUCEWRRSA-N 2 1 284.407 3.135 20 0 CGADMP Cc1cccc2[nH]c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc21 ZINC000667705315 542920256 /nfs/dbraw/zinc/92/02/56/542920256.db2.gz AZSVEQKPAOZOIL-DNVCBOLYSA-N 2 1 297.446 3.392 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667853668 542937790 /nfs/dbraw/zinc/93/77/90/542937790.db2.gz KNPFSZLJDXKKPE-SQNIBIBYSA-N 2 1 272.436 3.417 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667912176 542944396 /nfs/dbraw/zinc/94/43/96/542944396.db2.gz ACEZGDDTHNRLMI-YVSFHVDLSA-N 2 1 264.457 3.133 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cnc(C)n1C)[C@@H]2C ZINC000667963038 542950529 /nfs/dbraw/zinc/95/05/29/542950529.db2.gz AERFQOJNNBAKJS-CHWSQXEVSA-N 2 1 299.418 3.245 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)N(Cc1cnc(C)n1C)[C@@H]2C ZINC000667963038 542950531 /nfs/dbraw/zinc/95/05/31/542950531.db2.gz AERFQOJNNBAKJS-CHWSQXEVSA-N 2 1 299.418 3.245 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(C)c1 ZINC000668172774 542980419 /nfs/dbraw/zinc/98/04/19/542980419.db2.gz SWZRRPGXOLQPCV-YJBOKZPZSA-N 2 1 290.451 3.166 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(C)c1 ZINC000668172774 542980422 /nfs/dbraw/zinc/98/04/22/542980422.db2.gz SWZRRPGXOLQPCV-YJBOKZPZSA-N 2 1 290.451 3.166 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172774 542980431 /nfs/dbraw/zinc/98/04/31/542980431.db2.gz SWZRRPGXOLQPCV-YJBOKZPZSA-N 2 1 290.451 3.166 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(C)c1 ZINC000668172771 542980777 /nfs/dbraw/zinc/98/07/77/542980777.db2.gz SWZRRPGXOLQPCV-CRAIPNDOSA-N 2 1 290.451 3.166 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(C)c1 ZINC000668172771 542980778 /nfs/dbraw/zinc/98/07/78/542980778.db2.gz SWZRRPGXOLQPCV-CRAIPNDOSA-N 2 1 290.451 3.166 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000668172771 542980784 /nfs/dbraw/zinc/98/07/84/542980784.db2.gz SWZRRPGXOLQPCV-CRAIPNDOSA-N 2 1 290.451 3.166 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671245485 543163946 /nfs/dbraw/zinc/16/39/46/543163946.db2.gz FREYDLSORGUQPF-UHFFFAOYSA-N 2 1 271.408 3.449 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245485 543163948 /nfs/dbraw/zinc/16/39/48/543163948.db2.gz FREYDLSORGUQPF-UHFFFAOYSA-N 2 1 271.408 3.449 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000671752440 543186020 /nfs/dbraw/zinc/18/60/20/543186020.db2.gz YYGNFJPQMSVNJT-GEALJGNFSA-N 2 1 298.474 3.254 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccs1 ZINC000671770663 543188622 /nfs/dbraw/zinc/18/86/22/543188622.db2.gz TWMGRGBBGAZGBE-KBPBESRZSA-N 2 1 266.454 3.143 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccs1 ZINC000671770663 543188624 /nfs/dbraw/zinc/18/86/24/543188624.db2.gz TWMGRGBBGAZGBE-KBPBESRZSA-N 2 1 266.454 3.143 20 0 CGADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000301679391 397675089 /nfs/dbraw/zinc/67/50/89/397675089.db2.gz OPGVLVAVLUWFCT-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)CCC1 ZINC000429516757 292125424 /nfs/dbraw/zinc/12/54/24/292125424.db2.gz PQOCQCPEHMLWFA-ARFHVFGLSA-N 2 1 282.472 3.187 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCC2CCCCC2)C1 ZINC000650724135 397902525 /nfs/dbraw/zinc/90/25/25/397902525.db2.gz YPROEEFAFLLPLA-SQNIBIBYSA-N 2 1 294.483 3.318 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)CC[NH2+]1 ZINC000650725201 397902625 /nfs/dbraw/zinc/90/26/25/397902625.db2.gz VMWBCHSTBVWFMD-RBSFLKMASA-N 2 1 290.426 3.175 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C(C)(C)C ZINC000650724436 397902629 /nfs/dbraw/zinc/90/26/29/397902629.db2.gz GGMOLYVGVURHKG-FPCVCCKLSA-N 2 1 282.472 3.029 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCCC1 ZINC000421840010 292135745 /nfs/dbraw/zinc/13/57/45/292135745.db2.gz ZHZXUPIBFJLKAB-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000421814086 292145612 /nfs/dbraw/zinc/14/56/12/292145612.db2.gz INNUBZUJBZRHQO-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677240413 543441234 /nfs/dbraw/zinc/44/12/34/543441234.db2.gz HQLSGMHRVLPHNK-MSOLQXFVSA-N 2 1 272.436 3.062 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000677129333 543434335 /nfs/dbraw/zinc/43/43/35/543434335.db2.gz KJFUJTMLDGKDSO-INIZCTEOSA-N 2 1 280.362 3.028 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000677129516 543434438 /nfs/dbraw/zinc/43/44/38/543434438.db2.gz MDTDKDQLTJXDNU-PXAZEXFGSA-N 2 1 294.389 3.274 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000677129516 543434440 /nfs/dbraw/zinc/43/44/40/543434440.db2.gz MDTDKDQLTJXDNU-PXAZEXFGSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C2CC2)C1 ZINC000678285581 543511406 /nfs/dbraw/zinc/51/14/06/543511406.db2.gz OJJDBBDCIIEAGH-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678285581 543511409 /nfs/dbraw/zinc/51/14/09/543511409.db2.gz OJJDBBDCIIEAGH-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678285581 543511412 /nfs/dbraw/zinc/51/14/12/543511412.db2.gz OJJDBBDCIIEAGH-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)n1 ZINC000678411821 543521751 /nfs/dbraw/zinc/52/17/51/543521751.db2.gz PFJWESQYHSPPAZ-CQSZACIVSA-N 2 1 263.429 3.079 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)n1 ZINC000678411821 543521753 /nfs/dbraw/zinc/52/17/53/543521753.db2.gz PFJWESQYHSPPAZ-CQSZACIVSA-N 2 1 263.429 3.079 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000474484860 286151184 /nfs/dbraw/zinc/15/11/84/286151184.db2.gz MYPGOLZGJOITDL-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)o1 ZINC000183955590 292246654 /nfs/dbraw/zinc/24/66/54/292246654.db2.gz WYAAEIASRSSYAB-AWEZNQCLSA-N 2 1 264.413 3.361 20 0 CGADMP COCC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000449215373 292264503 /nfs/dbraw/zinc/26/45/03/292264503.db2.gz XXEOBCOBKGGCDX-LXPRWKDFSA-N 2 1 296.499 3.149 20 0 CGADMP COCC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000449085598 292264851 /nfs/dbraw/zinc/26/48/51/292264851.db2.gz OOVTUAUIJJQAKJ-BFWZDYSYSA-N 2 1 296.499 3.292 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000514862756 286356955 /nfs/dbraw/zinc/35/69/55/286356955.db2.gz HQANQZBPKBTQQU-BQFCYCMXSA-N 2 1 288.435 3.002 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C12CCC2 ZINC000087708919 286384554 /nfs/dbraw/zinc/38/45/54/286384554.db2.gz ZCKOVWKMTYSENB-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H](C)C2 ZINC000272587515 292352205 /nfs/dbraw/zinc/35/22/05/292352205.db2.gz HKSPYOXXRYIBJL-KDOFPFPSSA-N 2 1 270.420 3.080 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCCC1)CCCO2 ZINC000423178549 292367200 /nfs/dbraw/zinc/36/72/00/292367200.db2.gz KZKVKYORKUUNAI-MRXNPFEDSA-N 2 1 288.435 3.460 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000359662049 298384180 /nfs/dbraw/zinc/38/41/80/298384180.db2.gz ISKWYEADWVOIBE-ZYHUDNBSSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOC(C)(C)C)C1 ZINC000072965366 287000403 /nfs/dbraw/zinc/00/04/03/287000403.db2.gz YZWWJFWRVZUDOO-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOC(C)(C)C)C1 ZINC000072965366 287000406 /nfs/dbraw/zinc/00/04/06/287000406.db2.gz YZWWJFWRVZUDOO-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000072965366 287000408 /nfs/dbraw/zinc/00/04/08/287000408.db2.gz YZWWJFWRVZUDOO-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000072965366 287000410 /nfs/dbraw/zinc/00/04/10/287000410.db2.gz YZWWJFWRVZUDOO-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC000077249395 287038357 /nfs/dbraw/zinc/03/83/57/287038357.db2.gz WBQAHQANYOFROD-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC000077249395 287038359 /nfs/dbraw/zinc/03/83/59/287038359.db2.gz WBQAHQANYOFROD-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cncs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358475947 287052198 /nfs/dbraw/zinc/05/21/98/287052198.db2.gz XJQKQOOOCBOMGL-HZSPNIEDSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cncs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358475947 287052200 /nfs/dbraw/zinc/05/22/00/287052200.db2.gz XJQKQOOOCBOMGL-HZSPNIEDSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000183192364 287063030 /nfs/dbraw/zinc/06/30/30/287063030.db2.gz FNSYEBUIJBWHRT-UMVBOHGHSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000080459210 287065754 /nfs/dbraw/zinc/06/57/54/287065754.db2.gz JBFSWRGNGXNEPJ-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000080426633 165153189 /nfs/dbraw/zinc/15/31/89/165153189.db2.gz RZIGVCJDIYRSEV-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000091335642 287107629 /nfs/dbraw/zinc/10/76/29/287107629.db2.gz KKOTZLRUXFCBKD-MAUKXSAKSA-N 2 1 290.451 3.324 20 0 CGADMP CCCOc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253768 165288203 /nfs/dbraw/zinc/28/82/03/165288203.db2.gz WDHHYLQKMHFLQO-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253768 165288206 /nfs/dbraw/zinc/28/82/06/165288206.db2.gz WDHHYLQKMHFLQO-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000092253768 165288207 /nfs/dbraw/zinc/28/82/07/165288207.db2.gz WDHHYLQKMHFLQO-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000092253768 165288210 /nfs/dbraw/zinc/28/82/10/165288210.db2.gz WDHHYLQKMHFLQO-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP C[N@@H+](Cc1csc2ccccc12)CC(C)(C)C[NH3+] ZINC000093873122 165339931 /nfs/dbraw/zinc/33/99/31/165339931.db2.gz KIYANIPJXOJFGF-UHFFFAOYSA-N 2 1 262.422 3.318 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@H](C)C1 ZINC000090972597 287106009 /nfs/dbraw/zinc/10/60/09/287106009.db2.gz WSEQUBMJCFNSPC-QAPCUYQASA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000093941619 165344151 /nfs/dbraw/zinc/34/41/51/165344151.db2.gz IZJTUVKDGMDNSP-INIZCTEOSA-N 2 1 289.467 3.279 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC000093742318 287119151 /nfs/dbraw/zinc/11/91/51/287119151.db2.gz ACHBVCBLTKWVCB-GOSISDBHSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093742318 287119153 /nfs/dbraw/zinc/11/91/53/287119153.db2.gz ACHBVCBLTKWVCB-GOSISDBHSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093742318 287119155 /nfs/dbraw/zinc/11/91/55/287119155.db2.gz ACHBVCBLTKWVCB-GOSISDBHSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000120026840 287176683 /nfs/dbraw/zinc/17/66/83/287176683.db2.gz WWEUPEDQQQTLRD-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459799275 287218199 /nfs/dbraw/zinc/21/81/99/287218199.db2.gz YRPWGQVWFPQPPH-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](CCCn1ccnc1C)Cc1ccccc1 ZINC000124651334 287235743 /nfs/dbraw/zinc/23/57/43/287235743.db2.gz YNNHEWKSXCAVSY-UHFFFAOYSA-N 2 1 257.381 3.104 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000124651334 287235744 /nfs/dbraw/zinc/23/57/44/287235744.db2.gz YNNHEWKSXCAVSY-UHFFFAOYSA-N 2 1 257.381 3.104 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000124651334 287235745 /nfs/dbraw/zinc/23/57/45/287235745.db2.gz YNNHEWKSXCAVSY-UHFFFAOYSA-N 2 1 257.381 3.104 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1C ZINC000124912868 287238439 /nfs/dbraw/zinc/23/84/39/287238439.db2.gz NZWMHQSBORNHSV-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1C ZINC000124912868 287238443 /nfs/dbraw/zinc/23/84/43/287238443.db2.gz NZWMHQSBORNHSV-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP Brc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020128911 171015892 /nfs/dbraw/zinc/01/58/92/171015892.db2.gz QCFMICFEBXOYIK-UHFFFAOYSA-N 2 1 297.240 3.025 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000020189529 171055615 /nfs/dbraw/zinc/05/56/15/171055615.db2.gz XPNIRRVUTZVONP-UHFFFAOYSA-N 2 1 298.377 3.252 20 0 CGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000037229545 173050033 /nfs/dbraw/zinc/05/00/33/173050033.db2.gz YZLQIYRLUGSKQA-HNNXBMFYSA-N 2 1 294.439 3.438 20 0 CGADMP COc1ccc2cc(C[NH2+]C3CC[NH+](C)CC3)ccc2c1 ZINC000037248706 173061290 /nfs/dbraw/zinc/06/12/90/173061290.db2.gz HVHWKBWIEIXVAE-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CCO1 ZINC000449383999 287283456 /nfs/dbraw/zinc/28/34/56/287283456.db2.gz LMRSKCDRPUIHJG-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCn1ccnc1C ZINC000127412509 287287585 /nfs/dbraw/zinc/28/75/85/287287585.db2.gz CXIHNNVMINQMKW-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127412509 287287586 /nfs/dbraw/zinc/28/75/86/287287586.db2.gz CXIHNNVMINQMKW-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000127412509 287287587 /nfs/dbraw/zinc/28/75/87/287287587.db2.gz CXIHNNVMINQMKW-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040593016 174347905 /nfs/dbraw/zinc/34/79/05/174347905.db2.gz HWKGKIDXXLGJQM-CZUORRHYSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1cc(C)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000043393484 175034745 /nfs/dbraw/zinc/03/47/45/175034745.db2.gz NZNAEQHUWNGLOO-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245370 416475926 /nfs/dbraw/zinc/47/59/26/416475926.db2.gz XRQDPKPKQNRQTP-ZIAGYGMSSA-N 2 1 254.377 3.181 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)[C@@H]1CC[NH3+] ZINC000404291862 416552840 /nfs/dbraw/zinc/55/28/40/416552840.db2.gz LMSAZWNOVNYGET-ZYHUDNBSSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)[C@@H]1CC[NH3+] ZINC000404291862 416552841 /nfs/dbraw/zinc/55/28/41/416552841.db2.gz LMSAZWNOVNYGET-ZYHUDNBSSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)[C@H]1CC[NH3+] ZINC000404451818 416553733 /nfs/dbraw/zinc/55/37/33/416553733.db2.gz ZFHAYIWWIUBSCY-PBHICJAKSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)[C@H]1CC[NH3+] ZINC000404451818 416553735 /nfs/dbraw/zinc/55/37/35/416553735.db2.gz ZFHAYIWWIUBSCY-PBHICJAKSA-N 2 1 299.418 3.291 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2c(C)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000123598714 416506621 /nfs/dbraw/zinc/50/66/21/416506621.db2.gz LGZRFDDFMKETSM-CJNGLKHVSA-N 2 1 272.392 3.300 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CCC[NH3+] ZINC000133229822 416516301 /nfs/dbraw/zinc/51/63/01/416516301.db2.gz ROBASLWQHPEJRU-CYBMUJFWSA-N 2 1 285.229 3.181 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000129597493 287335318 /nfs/dbraw/zinc/33/53/18/287335318.db2.gz JPVALISJLUJRDR-KWCYVHTRSA-N 2 1 264.438 3.055 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000129597493 287335321 /nfs/dbraw/zinc/33/53/21/287335321.db2.gz JPVALISJLUJRDR-KWCYVHTRSA-N 2 1 264.438 3.055 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000130027359 287343598 /nfs/dbraw/zinc/34/35/98/287343598.db2.gz QQRHGIHDKDTNNC-HOCLYGCPSA-N 2 1 260.425 3.037 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679540289 543643840 /nfs/dbraw/zinc/64/38/40/543643840.db2.gz JSYMCKFNXUKCIY-WCQYABFASA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679540289 543643843 /nfs/dbraw/zinc/64/38/43/543643843.db2.gz JSYMCKFNXUKCIY-WCQYABFASA-N 2 1 289.345 3.244 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679536492 543644167 /nfs/dbraw/zinc/64/41/67/543644167.db2.gz LZQRSHZMZAXJNP-KRWDZBQOSA-N 2 1 274.452 3.380 20 0 CGADMP CCN(Cc1ccoc1)Cc1cn(-c2ccncc2)nc1C ZINC000680328507 543697202 /nfs/dbraw/zinc/69/72/02/543697202.db2.gz CLCPZHSWZYXZSY-UHFFFAOYSA-N 2 1 296.374 3.191 20 0 CGADMP Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721125 543657674 /nfs/dbraw/zinc/65/76/74/543657674.db2.gz IJLHIENGNNFPBT-WBVHZDCISA-N 2 1 287.451 3.133 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000681090713 543764691 /nfs/dbraw/zinc/76/46/91/543764691.db2.gz PVNBGGYGUSSOHD-RUXDESIVSA-N 2 1 274.399 3.274 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000681090713 543764693 /nfs/dbraw/zinc/76/46/93/543764693.db2.gz PVNBGGYGUSSOHD-RUXDESIVSA-N 2 1 274.399 3.274 20 0 CGADMP C(C[NH+]1CCCCC1)C[NH+]1C2CCCC1CCC2 ZINC000682028504 543817897 /nfs/dbraw/zinc/81/78/97/543817897.db2.gz PKXXURCSWSVVEE-UHFFFAOYSA-N 2 1 250.430 3.269 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC000682069793 543819573 /nfs/dbraw/zinc/81/95/73/543819573.db2.gz ADLABSAOMFIACS-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069793 543819574 /nfs/dbraw/zinc/81/95/74/543819574.db2.gz ADLABSAOMFIACS-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069793 543819576 /nfs/dbraw/zinc/81/95/76/543819576.db2.gz ADLABSAOMFIACS-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000683769257 543940030 /nfs/dbraw/zinc/94/00/30/543940030.db2.gz XGPGFBOTMXHKMM-AWEZNQCLSA-N 2 1 294.402 3.166 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc3ccccc3[nH]2)CC1 ZINC000684024828 543962170 /nfs/dbraw/zinc/96/21/70/543962170.db2.gz FRWPFBWUWZTGNW-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000685455670 544073540 /nfs/dbraw/zinc/07/35/40/544073540.db2.gz GFOAADMKRRGNFD-LSDHHAIUSA-N 2 1 280.481 3.389 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)C(C)(C)C ZINC000685470813 544076744 /nfs/dbraw/zinc/07/67/44/544076744.db2.gz STJFYCKOQSUGIA-ILXRZTDVSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C(C)(C)C ZINC000685470813 544076746 /nfs/dbraw/zinc/07/67/46/544076746.db2.gz STJFYCKOQSUGIA-ILXRZTDVSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C(C)(C)C ZINC000685470813 544076749 /nfs/dbraw/zinc/07/67/49/544076749.db2.gz STJFYCKOQSUGIA-ILXRZTDVSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)F)cc1 ZINC000685470074 544077845 /nfs/dbraw/zinc/07/78/45/544077845.db2.gz OWJXFOUXACAFFC-SWLSCSKDSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)F)cc1 ZINC000685470074 544077847 /nfs/dbraw/zinc/07/78/47/544077847.db2.gz OWJXFOUXACAFFC-SWLSCSKDSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000685470074 544077849 /nfs/dbraw/zinc/07/78/49/544077849.db2.gz OWJXFOUXACAFFC-SWLSCSKDSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000685470074 544077851 /nfs/dbraw/zinc/07/78/51/544077851.db2.gz OWJXFOUXACAFFC-SWLSCSKDSA-N 2 1 282.378 3.396 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355853 418957044 /nfs/dbraw/zinc/95/70/44/418957044.db2.gz JZMKYOXPYZEIBY-DZGCQCFKSA-N 2 1 278.465 3.358 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659876689 419026701 /nfs/dbraw/zinc/02/67/01/419026701.db2.gz LJQNPNATQYKWGB-KURKYZTESA-N 2 1 278.484 3.475 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(C)(C)C2CC2)C1 ZINC000653563057 419050154 /nfs/dbraw/zinc/05/01/54/419050154.db2.gz WSOKYVUFQLDSRK-INIZCTEOSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653563057 419050160 /nfs/dbraw/zinc/05/01/60/419050160.db2.gz WSOKYVUFQLDSRK-INIZCTEOSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653563057 419050164 /nfs/dbraw/zinc/05/01/64/419050164.db2.gz WSOKYVUFQLDSRK-INIZCTEOSA-N 2 1 278.484 3.476 20 0 CGADMP CCC(CC)(CC)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655732461 419081980 /nfs/dbraw/zinc/08/19/80/419081980.db2.gz CBZBVMMZLNYNSA-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CCC(C)(C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000653811699 419088316 /nfs/dbraw/zinc/08/83/16/419088316.db2.gz VBGHBNSJVHIDLZ-QGZVFWFLSA-N 2 1 295.515 3.056 20 0 CGADMP C[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(C)(C)C ZINC000655757713 419089510 /nfs/dbraw/zinc/08/95/10/419089510.db2.gz JRWDWRKDSGQFMW-NVXWUHKLSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000665252569 419093780 /nfs/dbraw/zinc/09/37/80/419093780.db2.gz SVOMOGHQEFQIID-LSCFUAHRSA-N 2 1 294.389 3.189 20 0 CGADMP c1ccc(C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665277792 419099249 /nfs/dbraw/zinc/09/92/49/419099249.db2.gz LSZXAPUATNZRNN-SKINQDTJSA-N 2 1 292.426 3.312 20 0 CGADMP C[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C1CCCCC1 ZINC000665283448 419102682 /nfs/dbraw/zinc/10/26/82/419102682.db2.gz OCVGSMNTNPIUFR-QWHCGFSZSA-N 2 1 261.413 3.361 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288106 419104788 /nfs/dbraw/zinc/10/47/88/419104788.db2.gz DBYQPPSHLPGPJX-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288106 419104791 /nfs/dbraw/zinc/10/47/91/419104791.db2.gz DBYQPPSHLPGPJX-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP C[C@@H]([NH2+]CC1CC=CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255485 419114264 /nfs/dbraw/zinc/11/42/64/419114264.db2.gz BUBLOYUXUYLGGN-ZBFHGGJFSA-N 2 1 262.441 3.195 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653571025 419052290 /nfs/dbraw/zinc/05/22/90/419052290.db2.gz RDTONSJTHFNGDS-GOEBONIOSA-N 2 1 263.429 3.253 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653571025 419052294 /nfs/dbraw/zinc/05/22/94/419052294.db2.gz RDTONSJTHFNGDS-GOEBONIOSA-N 2 1 263.429 3.253 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C2CC2)[C@@H](C)C1 ZINC000653581989 419053317 /nfs/dbraw/zinc/05/33/17/419053317.db2.gz QZOORCVELXXBNY-GOEBONIOSA-N 2 1 266.473 3.475 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000653605398 419058219 /nfs/dbraw/zinc/05/82/19/419058219.db2.gz VKCRBYRVXWHBGF-SFHVURJKSA-N 2 1 283.419 3.484 20 0 CGADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000653610732 419059672 /nfs/dbraw/zinc/05/96/72/419059672.db2.gz VGDRLWAALVAFPA-NEPJUHHUSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCc1c[nH+]cn1C ZINC000653610732 419059675 /nfs/dbraw/zinc/05/96/75/419059675.db2.gz VGDRLWAALVAFPA-NEPJUHHUSA-N 2 1 289.345 3.016 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694246 419067694 /nfs/dbraw/zinc/06/76/94/419067694.db2.gz FCZPFBFYLHIKEX-NVXWUHKLSA-N 2 1 272.436 3.222 20 0 CGADMP C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1CCC(C)(C)C1CC1 ZINC000653674429 419068731 /nfs/dbraw/zinc/06/87/31/419068731.db2.gz DBDYBRXNNPVZSF-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655701963 419069617 /nfs/dbraw/zinc/06/96/17/419069617.db2.gz YCEMVZYUMPPIGZ-YJBOKZPZSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC[C@H](CCC)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655721622 419077614 /nfs/dbraw/zinc/07/76/14/419077614.db2.gz QTIRUYZLXYBVAR-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)(C)CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655729256 419080009 /nfs/dbraw/zinc/08/00/09/419080009.db2.gz HLGPHPUSSWOKEI-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCC1 ZINC000660115417 419080728 /nfs/dbraw/zinc/08/07/28/419080728.db2.gz MYFJVBSNORWRHP-RDJZCZTQSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCC1 ZINC000660115417 419080731 /nfs/dbraw/zinc/08/07/31/419080731.db2.gz MYFJVBSNORWRHP-RDJZCZTQSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCC1 ZINC000660115417 419080733 /nfs/dbraw/zinc/08/07/33/419080733.db2.gz MYFJVBSNORWRHP-RDJZCZTQSA-N 2 1 262.441 3.125 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660429634 419143909 /nfs/dbraw/zinc/14/39/09/419143909.db2.gz IXJOWLZDEXRIKD-MUJYYYPQSA-N 2 1 286.419 3.279 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCCC3(C)C)C2)C1 ZINC000660615249 419169173 /nfs/dbraw/zinc/16/91/73/419169173.db2.gz DKRPSVODWVPOHG-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCCCC3(C)C)C2)C1 ZINC000660615249 419169176 /nfs/dbraw/zinc/16/91/76/419169176.db2.gz DKRPSVODWVPOHG-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCCCC3(C)C)C2)C1 ZINC000660615249 419169180 /nfs/dbraw/zinc/16/91/80/419169180.db2.gz DKRPSVODWVPOHG-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC1CCCCC1)C2 ZINC000660656926 419176305 /nfs/dbraw/zinc/17/63/05/419176305.db2.gz BMGVHGRHTOBVIW-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000660656926 419176308 /nfs/dbraw/zinc/17/63/08/419176308.db2.gz BMGVHGRHTOBVIW-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000660656926 419176311 /nfs/dbraw/zinc/17/63/11/419176311.db2.gz BMGVHGRHTOBVIW-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP COc1cccc([C@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660658142 419177052 /nfs/dbraw/zinc/17/70/52/419177052.db2.gz CQTNMJLTQFMIPP-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660658142 419177053 /nfs/dbraw/zinc/17/70/53/419177053.db2.gz CQTNMJLTQFMIPP-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660658142 419177056 /nfs/dbraw/zinc/17/70/56/419177056.db2.gz CQTNMJLTQFMIPP-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660658142 419177057 /nfs/dbraw/zinc/17/70/57/419177057.db2.gz CQTNMJLTQFMIPP-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660658542 419177368 /nfs/dbraw/zinc/17/73/68/419177368.db2.gz GSDPOLMMFNZXME-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660658542 419177371 /nfs/dbraw/zinc/17/73/71/419177371.db2.gz GSDPOLMMFNZXME-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660658542 419177375 /nfs/dbraw/zinc/17/73/75/419177375.db2.gz GSDPOLMMFNZXME-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1C=CCCCCC1)C2 ZINC000660662346 419179565 /nfs/dbraw/zinc/17/95/65/419179565.db2.gz IOGGLHUPGMOKKX-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000660662346 419179567 /nfs/dbraw/zinc/17/95/67/419179567.db2.gz IOGGLHUPGMOKKX-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1C=CCCCCC1)C2 ZINC000660662346 419179568 /nfs/dbraw/zinc/17/95/68/419179568.db2.gz IOGGLHUPGMOKKX-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP CC[C@@H]1[C@H](C)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660318023 419126937 /nfs/dbraw/zinc/12/69/37/419126937.db2.gz UTCJYXGXWHPWAZ-QKPAOTATSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H]1[C@H](C)CCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660318023 419126941 /nfs/dbraw/zinc/12/69/41/419126941.db2.gz UTCJYXGXWHPWAZ-QKPAOTATSA-N 2 1 252.446 3.085 20 0 CGADMP Fc1cccc(F)c1CCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000655936238 419128050 /nfs/dbraw/zinc/12/80/50/419128050.db2.gz BBFUISSTQGAHPC-UHFFFAOYSA-N 2 1 294.389 3.114 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c(C)c1 ZINC000657337421 419255050 /nfs/dbraw/zinc/25/50/50/419255050.db2.gz UXBGTZUNGQSSPH-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(F)cc1Cl ZINC000657364718 419260070 /nfs/dbraw/zinc/26/00/70/419260070.db2.gz OPBAWOAQIBHWMM-JTQLQIEISA-N 2 1 293.773 3.473 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694964 419204268 /nfs/dbraw/zinc/20/42/68/419204268.db2.gz XVDITAAAVMATME-HOTGVXAUSA-N 2 1 298.858 3.082 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694964 419204269 /nfs/dbraw/zinc/20/42/69/419204269.db2.gz XVDITAAAVMATME-HOTGVXAUSA-N 2 1 298.858 3.082 20 0 CGADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000656787927 419219980 /nfs/dbraw/zinc/21/99/80/419219980.db2.gz ZNKPCXGEDVSISB-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP CCC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000656789966 419220988 /nfs/dbraw/zinc/22/09/88/419220988.db2.gz FFXYAPFEHZYIFK-ZTFGCOKTSA-N 2 1 290.451 3.167 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000657175088 419229683 /nfs/dbraw/zinc/22/96/83/419229683.db2.gz YANAVTKHUXKJJL-QFBILLFUSA-N 2 1 286.463 3.256 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccco2)CC1 ZINC000661164265 419235865 /nfs/dbraw/zinc/23/58/65/419235865.db2.gz STRNYYFZQIIYDQ-MRXNPFEDSA-N 2 1 276.424 3.333 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccco2)CC1 ZINC000661164265 419235868 /nfs/dbraw/zinc/23/58/68/419235868.db2.gz STRNYYFZQIIYDQ-MRXNPFEDSA-N 2 1 276.424 3.333 20 0 CGADMP COCc1csc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000657433635 419277517 /nfs/dbraw/zinc/27/75/17/419277517.db2.gz XGNFUXFOJNREHF-CQSZACIVSA-N 2 1 296.480 3.249 20 0 CGADMP c1cc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000657652128 419319477 /nfs/dbraw/zinc/31/94/77/419319477.db2.gz CAKUUUHCLFKQAH-UHFFFAOYSA-N 2 1 284.403 3.076 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC(F)CC1 ZINC000657742820 419335867 /nfs/dbraw/zinc/33/58/67/419335867.db2.gz AYLZFEQMWOYGDZ-CHQKBHSXSA-N 2 1 268.420 3.120 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000662106693 419336394 /nfs/dbraw/zinc/33/63/94/419336394.db2.gz GMQUSLMTKVBDCC-MSOLQXFVSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000662106693 419336398 /nfs/dbraw/zinc/33/63/98/419336398.db2.gz GMQUSLMTKVBDCC-MSOLQXFVSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000662106693 419336402 /nfs/dbraw/zinc/33/64/02/419336402.db2.gz GMQUSLMTKVBDCC-MSOLQXFVSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000662106693 419336404 /nfs/dbraw/zinc/33/64/04/419336404.db2.gz GMQUSLMTKVBDCC-MSOLQXFVSA-N 2 1 292.467 3.161 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC000336209844 228214060 /nfs/dbraw/zinc/21/40/60/228214060.db2.gz GREBMGWXOUPVFC-MRXNPFEDSA-N 2 1 272.392 3.349 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662197173 419355395 /nfs/dbraw/zinc/35/53/95/419355395.db2.gz RVSRZXQWSOIOQU-MRXNPFEDSA-N 2 1 283.419 3.015 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000662197173 419355403 /nfs/dbraw/zinc/35/54/03/419355403.db2.gz RVSRZXQWSOIOQU-MRXNPFEDSA-N 2 1 283.419 3.015 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)[C@@H]1CCC[NH3+] ZINC000662316117 419389394 /nfs/dbraw/zinc/38/93/94/419389394.db2.gz KCXLVIDITQMXNR-IUODEOHRSA-N 2 1 293.480 3.360 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662316678 419390787 /nfs/dbraw/zinc/39/07/87/419390787.db2.gz LWUJLUOEADCTTP-RHSMWYFYSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331354 419391461 /nfs/dbraw/zinc/39/14/61/419391461.db2.gz NFUVHYQEHNFXSZ-UHFFFAOYSA-N 2 1 281.403 3.203 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331354 419391468 /nfs/dbraw/zinc/39/14/68/419391468.db2.gz NFUVHYQEHNFXSZ-UHFFFAOYSA-N 2 1 281.403 3.203 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000662243730 419369357 /nfs/dbraw/zinc/36/93/57/419369357.db2.gz JSJVGDKZJJCEQW-XJKSGUPXSA-N 2 1 260.425 3.153 20 0 CGADMP Fc1ccc(SCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000662234796 419369932 /nfs/dbraw/zinc/36/99/32/419369932.db2.gz NHAODSDMLDKFEY-UHFFFAOYSA-N 2 1 294.439 3.134 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662245648 419371932 /nfs/dbraw/zinc/37/19/32/419371932.db2.gz NHIJZWJIJQNGHT-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCSc1ccc(F)cc1F ZINC000662249200 419371962 /nfs/dbraw/zinc/37/19/62/419371962.db2.gz JKPQETOYLBQSAN-AWEZNQCLSA-N 2 1 288.407 3.020 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)nc1 ZINC000662260455 419377254 /nfs/dbraw/zinc/37/72/54/419377254.db2.gz LTHYIUUNOHWBML-LJQANCHMSA-N 2 1 293.414 3.064 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(C(C)C)c2)CC[C@H]1[NH3+] ZINC000662269618 419379310 /nfs/dbraw/zinc/37/93/10/419379310.db2.gz BKQGJMARONGRAW-DOTOQJQBSA-N 2 1 260.425 3.369 20 0 CGADMP Clc1cccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662272984 419379599 /nfs/dbraw/zinc/37/95/99/419379599.db2.gz JEFUOEXTVJVRAX-DOMZBBRYSA-N 2 1 296.867 3.116 20 0 CGADMP Clc1cccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662272984 419379604 /nfs/dbraw/zinc/37/96/04/419379604.db2.gz JEFUOEXTVJVRAX-DOMZBBRYSA-N 2 1 296.867 3.116 20 0 CGADMP CCOC1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000657839698 419380458 /nfs/dbraw/zinc/38/04/58/419380458.db2.gz ZGWXXILOYUIEDH-OQSMONGASA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1nsc2ccccc21 ZINC000662273518 419381949 /nfs/dbraw/zinc/38/19/49/419381949.db2.gz NZUAIQDLAZAUMP-ZDUSSCGKSA-N 2 1 289.448 3.042 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC000662276504 419382234 /nfs/dbraw/zinc/38/22/34/419382234.db2.gz NNJQNMLECLPVHF-QXCFHYIPSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC000662276504 419382241 /nfs/dbraw/zinc/38/22/41/419382241.db2.gz NNJQNMLECLPVHF-QXCFHYIPSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297242 419384122 /nfs/dbraw/zinc/38/41/22/419384122.db2.gz OTIFNNOSYSAZAU-CRAIPNDOSA-N 2 1 272.436 3.459 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCCC1CCC1)CC[NH2+]CC2 ZINC000662282017 419385166 /nfs/dbraw/zinc/38/51/66/419385166.db2.gz ASMWXGRIANVVLV-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297246 419386400 /nfs/dbraw/zinc/38/64/00/419386400.db2.gz OTIFNNOSYSAZAU-YJBOKZPZSA-N 2 1 272.436 3.459 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC(C)(C)CC(C)(C)C1 ZINC000662302871 419386910 /nfs/dbraw/zinc/38/69/10/419386910.db2.gz OYSIYEPAFDEAPE-CYBMUJFWSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344589 419566971 /nfs/dbraw/zinc/56/69/71/419566971.db2.gz BLYRJNISSVEODC-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000658036860 419515744 /nfs/dbraw/zinc/51/57/44/419515744.db2.gz ZCBVANWKYNJBCO-ZIAGYGMSSA-N 2 1 287.407 3.210 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000663502172 419636607 /nfs/dbraw/zinc/63/66/07/419636607.db2.gz DEZHGZXDWTWOGW-BFYDXBDKSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000663468888 419620173 /nfs/dbraw/zinc/62/01/73/419620173.db2.gz NFANOQCNVXILIB-GOEBONIOSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663468501 419621532 /nfs/dbraw/zinc/62/15/32/419621532.db2.gz LMHFVTFYVVRVGK-WBVHZDCISA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C(F)F ZINC000663466516 419622472 /nfs/dbraw/zinc/62/24/72/419622472.db2.gz UYSZLOWZIJDGTG-OCCSQVGLSA-N 2 1 288.426 3.378 20 0 CGADMP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471779 419625090 /nfs/dbraw/zinc/62/50/90/419625090.db2.gz YCYRMAGDCQXIPN-CVEARBPZSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228697 419687787 /nfs/dbraw/zinc/68/77/87/419687787.db2.gz KSEUARTZMWKSLF-WBVHZDCISA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228697 419687796 /nfs/dbraw/zinc/68/77/96/419687796.db2.gz KSEUARTZMWKSLF-WBVHZDCISA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000658230542 419689667 /nfs/dbraw/zinc/68/96/67/419689667.db2.gz ZWEHDWBIDQHPLT-FUHWJXTLSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000658230542 419689676 /nfs/dbraw/zinc/68/96/76/419689676.db2.gz ZWEHDWBIDQHPLT-FUHWJXTLSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000180155506 260094517 /nfs/dbraw/zinc/09/45/17/260094517.db2.gz XRYFCPHCBKXVPO-DAYGRLMNSA-N 2 1 272.436 3.160 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000040598509 270029730 /nfs/dbraw/zinc/02/97/30/270029730.db2.gz VQANBJRNLKKGFC-KRWDZBQOSA-N 2 1 290.451 3.004 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000040747179 270029896 /nfs/dbraw/zinc/02/98/96/270029896.db2.gz QFKQSHNUZCAZEU-FUNVUKJBSA-N 2 1 264.438 3.025 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044534824 270036094 /nfs/dbraw/zinc/03/60/94/270036094.db2.gz SHAGQVUDTPNONF-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000045692166 270039014 /nfs/dbraw/zinc/03/90/14/270039014.db2.gz CREDSTUAWHQNGA-OOHWJJMZSA-N 2 1 260.425 3.253 20 0 CGADMP CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183124891 270054982 /nfs/dbraw/zinc/05/49/82/270054982.db2.gz KIRUOAJBNHFFLU-FGTMMUONSA-N 2 1 272.436 3.287 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000223119153 270086112 /nfs/dbraw/zinc/08/61/12/270086112.db2.gz MBKMIBOPAOQLBH-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000526978764 270123792 /nfs/dbraw/zinc/12/37/92/270123792.db2.gz RIYXGKXIWBMKEX-CQSZACIVSA-N 2 1 276.399 3.304 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CC23CC3)C1 ZINC000527868220 270140920 /nfs/dbraw/zinc/14/09/20/270140920.db2.gz CPCZMLDFPUAXKK-BZUAXINKSA-N 2 1 264.457 3.133 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000527844545 270139212 /nfs/dbraw/zinc/13/92/12/270139212.db2.gz BJEGMCZFQHLFHI-ROUUACIJSA-N 2 1 286.463 3.472 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527892783 270142343 /nfs/dbraw/zinc/14/23/43/270142343.db2.gz OSTBCIGUAMSSJV-HNNXBMFYSA-N 2 1 293.773 3.032 20 0 CGADMP c1cc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2[nH]1 ZINC000529530954 270182882 /nfs/dbraw/zinc/18/28/82/270182882.db2.gz RYMSGEPDWJPBSI-KRWDZBQOSA-N 2 1 297.446 3.476 20 0 CGADMP COc1ccc([C@@H]([NH2+]CC2CC=CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000530215809 270195639 /nfs/dbraw/zinc/19/56/39/270195639.db2.gz JGRMRGKEPWPLJU-QZTJIDSGSA-N 2 1 286.419 3.044 20 0 CGADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000530224633 270196588 /nfs/dbraw/zinc/19/65/88/270196588.db2.gz SBKHVXPLLOBRJU-JKXDFHQYSA-N 2 1 284.394 3.028 20 0 CGADMP C[C@H](C[N@@H+](C)CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000530235551 270197017 /nfs/dbraw/zinc/19/70/17/270197017.db2.gz ZLBNHQYSANUVDT-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000530354946 270199123 /nfs/dbraw/zinc/19/91/23/270199123.db2.gz LETQMHSVHDCCHC-SFHVURJKSA-N 2 1 285.435 3.210 20 0 CGADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCc1c[nH+]cn1C ZINC000530460333 270200356 /nfs/dbraw/zinc/20/03/56/270200356.db2.gz MGTCJLWWLXAQDE-XJKSGUPXSA-N 2 1 269.392 3.109 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)[C@H](C)C1 ZINC000531955033 270211331 /nfs/dbraw/zinc/21/13/31/270211331.db2.gz RBKSXIONOCVIHP-XNISGKROSA-N 2 1 276.424 3.223 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC(C)C)[C@@H](C)C1 ZINC000531989636 270212303 /nfs/dbraw/zinc/21/23/03/270212303.db2.gz HMXPCXFUBFGFLP-DLBZAZTESA-N 2 1 284.488 3.149 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]1c1ccccc1 ZINC000532124515 270213945 /nfs/dbraw/zinc/21/39/45/270213945.db2.gz PQTCZKTYKKKEEL-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]1c1ccccc1 ZINC000532124515 270213946 /nfs/dbraw/zinc/21/39/46/270213946.db2.gz PQTCZKTYKKKEEL-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000532124515 270213947 /nfs/dbraw/zinc/21/39/47/270213947.db2.gz PQTCZKTYKKKEEL-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H]1c1ccccc1 ZINC000532124515 270213948 /nfs/dbraw/zinc/21/39/48/270213948.db2.gz PQTCZKTYKKKEEL-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000532212814 270214228 /nfs/dbraw/zinc/21/42/28/270214228.db2.gz TZKHRLAGTOCJOF-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000532212814 270214229 /nfs/dbraw/zinc/21/42/29/270214229.db2.gz TZKHRLAGTOCJOF-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](CC)C1CCOCC1 ZINC000532215145 270214475 /nfs/dbraw/zinc/21/44/75/270214475.db2.gz IXWIAZSFPQCYNT-QZTJIDSGSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](CC)C1CCOCC1 ZINC000532215145 270214476 /nfs/dbraw/zinc/21/44/76/270214476.db2.gz IXWIAZSFPQCYNT-QZTJIDSGSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2c(s1)CCCC2 ZINC000423284221 274260860 /nfs/dbraw/zinc/26/08/60/274260860.db2.gz WRISGUGUJYINHL-ZWNOBZJWSA-N 2 1 264.438 3.015 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000090581511 274340704 /nfs/dbraw/zinc/34/07/04/274340704.db2.gz HSEGUCGOOUVENW-JFIYKMOQSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2SCCc3ccccc32)CC[N@H+]1C ZINC000361967767 274392419 /nfs/dbraw/zinc/39/24/19/274392419.db2.gz WSXKWVKELWYQEH-UKPHBRMFSA-N 2 1 290.476 3.089 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000179561718 274393636 /nfs/dbraw/zinc/39/36/36/274393636.db2.gz OZYVKTMQOZFZBM-ISTRZQFTSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000179561718 274393637 /nfs/dbraw/zinc/39/36/37/274393637.db2.gz OZYVKTMQOZFZBM-ISTRZQFTSA-N 2 1 276.399 3.275 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000420323352 275391595 /nfs/dbraw/zinc/39/15/95/275391595.db2.gz SXYLQNNECCEUMX-GOEBONIOSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347488 276075279 /nfs/dbraw/zinc/07/52/79/276075279.db2.gz NLQPJOFQIXEASL-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347488 276075280 /nfs/dbraw/zinc/07/52/80/276075280.db2.gz NLQPJOFQIXEASL-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347488 276075281 /nfs/dbraw/zinc/07/52/81/276075281.db2.gz NLQPJOFQIXEASL-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347488 276075282 /nfs/dbraw/zinc/07/52/82/276075282.db2.gz NLQPJOFQIXEASL-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350072 276105924 /nfs/dbraw/zinc/10/59/24/276105924.db2.gz IKTSAWUYINKZFR-HNNXBMFYSA-N 2 1 288.426 3.476 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343095168 276151638 /nfs/dbraw/zinc/15/16/38/276151638.db2.gz NZKCXSDQRGAQKZ-MRXNPFEDSA-N 2 1 278.827 3.401 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000020133451 276151986 /nfs/dbraw/zinc/15/19/86/276151986.db2.gz SERDSLILMLCPNW-KRWDZBQOSA-N 2 1 258.409 3.138 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)[C@H](C)C1 ZINC000442785282 276216522 /nfs/dbraw/zinc/21/65/22/276216522.db2.gz RMRRJGYVUWUITA-BLYZHGLHSA-N 2 1 274.399 3.130 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572561 276225006 /nfs/dbraw/zinc/22/50/06/276225006.db2.gz UZWYOUDUBFMRKG-ILXRZTDVSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572561 276225007 /nfs/dbraw/zinc/22/50/07/276225007.db2.gz UZWYOUDUBFMRKG-ILXRZTDVSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572561 276225008 /nfs/dbraw/zinc/22/50/08/276225008.db2.gz UZWYOUDUBFMRKG-ILXRZTDVSA-N 2 1 288.426 3.474 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462538 276247950 /nfs/dbraw/zinc/24/79/50/276247950.db2.gz HEXJMMLWLJIHHX-LSDHHAIUSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462538 276247951 /nfs/dbraw/zinc/24/79/51/276247951.db2.gz HEXJMMLWLJIHHX-LSDHHAIUSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462538 276247953 /nfs/dbraw/zinc/24/79/53/276247953.db2.gz HEXJMMLWLJIHHX-LSDHHAIUSA-N 2 1 288.426 3.476 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451411918 276324596 /nfs/dbraw/zinc/32/45/96/276324596.db2.gz VWLCGEMZZLAAOA-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451411918 276324597 /nfs/dbraw/zinc/32/45/97/276324597.db2.gz VWLCGEMZZLAAOA-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450458070 276334430 /nfs/dbraw/zinc/33/44/30/276334430.db2.gz HJDASEPYLFRRAT-AQFXKWCLSA-N 2 1 264.457 3.230 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000157598373 276357817 /nfs/dbraw/zinc/35/78/17/276357817.db2.gz MHAMEZADVAJWRI-DJIMGWMZSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)C1CCCCC1)[NH+]1CCCC1 ZINC000474471407 276568866 /nfs/dbraw/zinc/56/88/66/276568866.db2.gz BJHDDOGYSBTTPT-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000414489920 276809046 /nfs/dbraw/zinc/80/90/46/276809046.db2.gz WLAZMCXNHGXHJC-GOEBONIOSA-N 2 1 273.424 3.064 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469992669 277029327 /nfs/dbraw/zinc/02/93/27/277029327.db2.gz MSJURQUUUOMIDF-HOCLYGCPSA-N 2 1 252.446 3.134 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Cl)s2)CC1 ZINC000375474766 277038491 /nfs/dbraw/zinc/03/84/91/277038491.db2.gz SJXRHBCUUGETIK-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Cl)s2)CC1 ZINC000375474766 277038492 /nfs/dbraw/zinc/03/84/92/277038492.db2.gz SJXRHBCUUGETIK-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000414195347 277053475 /nfs/dbraw/zinc/05/34/75/277053475.db2.gz UTZWZGBPVIKNHN-KBXCAEBGSA-N 2 1 288.435 3.091 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000459724929 277073502 /nfs/dbraw/zinc/07/35/02/277073502.db2.gz FIGKBPJYVOWNTE-HYVNUMGLSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954817 277078147 /nfs/dbraw/zinc/07/81/47/277078147.db2.gz VKPQHMMARSZHJG-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954817 277078148 /nfs/dbraw/zinc/07/81/48/277078148.db2.gz VKPQHMMARSZHJG-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954817 277078151 /nfs/dbraw/zinc/07/81/51/277078151.db2.gz VKPQHMMARSZHJG-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420403393 277139180 /nfs/dbraw/zinc/13/91/80/277139180.db2.gz RIAYOPPNKIUDGC-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+]CCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000435876166 277267504 /nfs/dbraw/zinc/26/75/04/277267504.db2.gz WYDWZBYLWVOVGK-UHFFFAOYSA-N 2 1 286.341 3.279 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000435876166 277267505 /nfs/dbraw/zinc/26/75/05/277267505.db2.gz WYDWZBYLWVOVGK-UHFFFAOYSA-N 2 1 286.341 3.279 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000435871220 277267613 /nfs/dbraw/zinc/26/76/13/277267613.db2.gz JHEFUSIYOJQYKT-LBPRGKRZSA-N 2 1 284.806 3.096 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000435871220 277267615 /nfs/dbraw/zinc/26/76/15/277267615.db2.gz JHEFUSIYOJQYKT-LBPRGKRZSA-N 2 1 284.806 3.096 20 0 CGADMP C[NH2+]CCC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000435871701 277267725 /nfs/dbraw/zinc/26/77/25/277267725.db2.gz LFRQVBLTKNIVAT-LJQANCHMSA-N 2 1 280.415 3.244 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000430126055 277340002 /nfs/dbraw/zinc/34/00/02/277340002.db2.gz PPMAULHIEYCNFB-DAWZGUTISA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000430126055 277340004 /nfs/dbraw/zinc/34/00/04/277340004.db2.gz PPMAULHIEYCNFB-DAWZGUTISA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000430126055 277340005 /nfs/dbraw/zinc/34/00/05/277340005.db2.gz PPMAULHIEYCNFB-DAWZGUTISA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422817585 277386027 /nfs/dbraw/zinc/38/60/27/277386027.db2.gz HXMFVQIOGARIQR-FUHWJXTLSA-N 3 1 295.515 3.007 20 0 CGADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000475736114 278009472 /nfs/dbraw/zinc/00/94/72/278009472.db2.gz GMINMDRFOBLULZ-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[N@@H+]1C ZINC000449170376 278024924 /nfs/dbraw/zinc/02/49/24/278024924.db2.gz ILFWXZRVYBUYQD-JBCIKUTRSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[N@H+]1C ZINC000449170376 278024926 /nfs/dbraw/zinc/02/49/26/278024926.db2.gz ILFWXZRVYBUYQD-JBCIKUTRSA-N 2 1 294.483 3.329 20 0 CGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000420314028 278125053 /nfs/dbraw/zinc/12/50/53/278125053.db2.gz JRDCGQVJXIKOJS-MRXNPFEDSA-N 2 1 286.423 3.103 20 0 CGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000420314028 278125054 /nfs/dbraw/zinc/12/50/54/278125054.db2.gz JRDCGQVJXIKOJS-MRXNPFEDSA-N 2 1 286.423 3.103 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000397269637 288022645 /nfs/dbraw/zinc/02/26/45/288022645.db2.gz MECQVUCZYVNNNB-CPUCHLNUSA-N 2 1 283.419 3.040 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397628185 288025680 /nfs/dbraw/zinc/02/56/80/288025680.db2.gz STFBFNMBRUNAKB-ARQSVGKCSA-N 2 1 250.430 3.026 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC1(C)C ZINC000397759797 288029500 /nfs/dbraw/zinc/02/95/00/288029500.db2.gz KTWGXYNHRBBDDG-JKSUJKDBSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CC1(C)C ZINC000397789785 288030572 /nfs/dbraw/zinc/03/05/72/288030572.db2.gz ZDFRYRYNZRBERP-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000127296766 278318427 /nfs/dbraw/zinc/31/84/27/278318427.db2.gz YYDLCBNAGBBINB-MNOVXSKESA-N 2 1 275.783 3.062 20 0 CGADMP C[C@@H]1COCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000195118514 278853951 /nfs/dbraw/zinc/85/39/51/278853951.db2.gz ZSFQLKGJKIMMSY-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000459410972 288091119 /nfs/dbraw/zinc/09/11/19/288091119.db2.gz DKYPEVWBYJJTJT-CYBMUJFWSA-N 2 1 276.424 3.126 20 0 CGADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261681844 279157844 /nfs/dbraw/zinc/15/78/44/279157844.db2.gz AHSJNKCIGYSYDF-RTBURBONSA-N 2 1 286.463 3.331 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000037977174 279262640 /nfs/dbraw/zinc/26/26/40/279262640.db2.gz HXZCKXBIARQZNK-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H](CNCc2ccsc2C(F)(F)F)C1 ZINC000527642197 288180148 /nfs/dbraw/zinc/18/01/48/288180148.db2.gz XVTYVQNZLLBMAR-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527642197 288180150 /nfs/dbraw/zinc/18/01/50/288180150.db2.gz XVTYVQNZLLBMAR-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527642197 288180151 /nfs/dbraw/zinc/18/01/51/288180151.db2.gz XVTYVQNZLLBMAR-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000527853250 288198469 /nfs/dbraw/zinc/19/84/69/288198469.db2.gz GGZLTCMFEGWUPB-QGZVFWFLSA-N 2 1 271.408 3.487 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000430709080 280329804 /nfs/dbraw/zinc/32/98/04/280329804.db2.gz MBNVKTFREKKFNQ-BSDSXHPESA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529537848 288260400 /nfs/dbraw/zinc/26/04/00/288260400.db2.gz HPKQEULBWLLBHB-OLZOCXBDSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000224113867 281125865 /nfs/dbraw/zinc/12/58/65/281125865.db2.gz VIKOJLNRJNIREZ-JLJPHGGASA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000224113867 281125868 /nfs/dbraw/zinc/12/58/68/281125868.db2.gz VIKOJLNRJNIREZ-JLJPHGGASA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000157653552 281334417 /nfs/dbraw/zinc/33/44/17/281334417.db2.gz PLHZISKFBYNLTK-JZXOWHBKSA-N 2 1 286.463 3.345 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000530953001 288320310 /nfs/dbraw/zinc/32/03/10/288320310.db2.gz NBDBXFSNHFTDOX-FUHWJXTLSA-N 2 1 290.451 3.382 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000531702536 288341123 /nfs/dbraw/zinc/34/11/23/288341123.db2.gz IMKPBRKSCORRGQ-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C1(C)C ZINC000531994203 288348767 /nfs/dbraw/zinc/34/87/67/288348767.db2.gz YWBCOHCBCDQCBL-LUKYLMHMSA-N 2 1 296.499 3.290 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000532449507 288361425 /nfs/dbraw/zinc/36/14/25/288361425.db2.gz KXPVQLWJPMNCFU-PXAZEXFGSA-N 2 1 290.838 3.401 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000550887437 289089048 /nfs/dbraw/zinc/08/90/48/289089048.db2.gz QFNUABHYNFTTBT-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000550887437 289089049 /nfs/dbraw/zinc/08/90/49/289089049.db2.gz QFNUABHYNFTTBT-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP COc1cc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccn1 ZINC000551315210 289111449 /nfs/dbraw/zinc/11/14/49/289111449.db2.gz OSMSVJXXTHFKOD-CABCVRRESA-N 2 1 291.439 3.005 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000552100677 289163223 /nfs/dbraw/zinc/16/32/23/289163223.db2.gz QPOKMBFVMXMAJB-PMPSAXMXSA-N 2 1 270.436 3.369 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000552100677 289163227 /nfs/dbraw/zinc/16/32/27/289163227.db2.gz QPOKMBFVMXMAJB-PMPSAXMXSA-N 2 1 270.436 3.369 20 0 CGADMP COCc1ccccc1/C=C(/C)C[N@H+](C)CCC[NH+](C)C ZINC000552242844 289174520 /nfs/dbraw/zinc/17/45/20/289174520.db2.gz FMOBTWAUAOSGRZ-SSZFMOIBSA-N 2 1 290.451 3.120 20 0 CGADMP COCc1ccccc1/C=C(/C)C[N@@H+](C)CCC[NH+](C)C ZINC000552242844 289174523 /nfs/dbraw/zinc/17/45/23/289174523.db2.gz FMOBTWAUAOSGRZ-SSZFMOIBSA-N 2 1 290.451 3.120 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000554727494 289305797 /nfs/dbraw/zinc/30/57/97/289305797.db2.gz IGNSMXCIMLPDCK-HZMVEIRTSA-N 2 1 264.457 3.275 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000554880196 289316674 /nfs/dbraw/zinc/31/66/74/289316674.db2.gz CGMGERWNBBMPFS-HNNXBMFYSA-N 2 1 292.492 3.474 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1C ZINC000558698195 289513326 /nfs/dbraw/zinc/51/33/26/289513326.db2.gz YKZILGKSVGZJCP-KRWDZBQOSA-N 2 1 299.418 3.257 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000230001699 295229849 /nfs/dbraw/zinc/22/98/49/295229849.db2.gz PDBXAFCNIZAIGC-UHFFFAOYSA-N 2 1 272.367 3.177 20 0 CGADMP C[C@@]1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCC[NH2+]C1 ZINC000423344748 297900571 /nfs/dbraw/zinc/90/05/71/297900571.db2.gz OOHHPDNAXXRIMU-DOTOQJQBSA-N 2 1 292.398 3.019 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000582145428 328301535 /nfs/dbraw/zinc/30/15/35/328301535.db2.gz HFODHEGKPZZRLD-IRXDYDNUSA-N 2 1 297.531 3.064 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCC1CC[NH+](C)CC1 ZINC000563705352 322007116 /nfs/dbraw/zinc/00/71/16/322007116.db2.gz CNWYIGWPPHVYID-UHFFFAOYSA-N 2 1 269.392 3.297 20 0 CGADMP C[C@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000563828740 322012044 /nfs/dbraw/zinc/01/20/44/322012044.db2.gz DJKRXGKDPZMMHR-HTBOALCVSA-N 2 1 284.447 3.428 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000564200561 322022834 /nfs/dbraw/zinc/02/28/34/322022834.db2.gz HNCJRARSOVBJNH-ZDUSSCGKSA-N 2 1 284.856 3.466 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCC[NH+]1CCCC1 ZINC000564303049 322025641 /nfs/dbraw/zinc/02/56/41/322025641.db2.gz ANHKZHLCXRQODG-GQCTYLIASA-N 2 1 294.389 3.396 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)c(F)c1)CCC[NH+]1CCCC1 ZINC000564303049 322025643 /nfs/dbraw/zinc/02/56/43/322025643.db2.gz ANHKZHLCXRQODG-GQCTYLIASA-N 2 1 294.389 3.396 20 0 CGADMP C[C@H](C[NH2+]CC1Cc2ccccc2C1)[N@@H+]1CCCC[C@H]1C ZINC000564529351 322033290 /nfs/dbraw/zinc/03/32/90/322033290.db2.gz OMYKIGPDSKNDAB-HZPDHXFCSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@H](C[NH2+]CC1Cc2ccccc2C1)[N@H+]1CCCC[C@H]1C ZINC000564529351 322033291 /nfs/dbraw/zinc/03/32/91/322033291.db2.gz OMYKIGPDSKNDAB-HZPDHXFCSA-N 2 1 286.463 3.254 20 0 CGADMP F[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000564570578 322034828 /nfs/dbraw/zinc/03/48/28/322034828.db2.gz IQRLBJGKSUNRCE-LTIDMASMSA-N 2 1 276.399 3.350 20 0 CGADMP COc1cccc2c1CCC[C@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000565695842 322087319 /nfs/dbraw/zinc/08/73/19/322087319.db2.gz PFSKMWQOPRXKON-QGZVFWFLSA-N 2 1 290.451 3.393 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC000565709104 322087707 /nfs/dbraw/zinc/08/77/07/322087707.db2.gz ODQMXAKZVNDSHT-HUUCEWRRSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC000565709104 322087709 /nfs/dbraw/zinc/08/77/09/322087709.db2.gz ODQMXAKZVNDSHT-HUUCEWRRSA-N 2 1 280.431 3.465 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1c[nH+]ccc1N ZINC000566088725 322103851 /nfs/dbraw/zinc/10/38/51/322103851.db2.gz CRGMNPIDXWALEI-DDUZABMNSA-N 2 1 297.402 3.065 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566230100 322110636 /nfs/dbraw/zinc/11/06/36/322110636.db2.gz GVGILWICKMDTFE-HOTGVXAUSA-N 2 1 298.455 3.456 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C[C@H](C)O1 ZINC000566355614 322117340 /nfs/dbraw/zinc/11/73/40/322117340.db2.gz HPDCRJDFKNASRR-YYIAUSFCSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1c[nH+]ccc1N ZINC000567674280 322172564 /nfs/dbraw/zinc/17/25/64/322172564.db2.gz HESCQRJRXNRGHV-KWCYVHTRSA-N 2 1 259.397 3.114 20 0 CGADMP CCC1CC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000568051352 322190127 /nfs/dbraw/zinc/19/01/27/322190127.db2.gz FHMMDEXNIXBYKJ-FHERZECASA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000568105405 322193568 /nfs/dbraw/zinc/19/35/68/322193568.db2.gz UDPRLFRMBFBEOE-MAUKXSAKSA-N 2 1 283.419 3.436 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000568105405 322193569 /nfs/dbraw/zinc/19/35/69/322193569.db2.gz UDPRLFRMBFBEOE-MAUKXSAKSA-N 2 1 283.419 3.436 20 0 CGADMP C[N@@H+](C[C@@H]1CCCC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568983343 322230181 /nfs/dbraw/zinc/23/01/81/322230181.db2.gz HGIUCRPCZUDQHL-JZWPEALZSA-N 2 1 264.457 3.418 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000569159119 322237281 /nfs/dbraw/zinc/23/72/81/322237281.db2.gz LJXLUXSQEICGCN-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000569159119 322237284 /nfs/dbraw/zinc/23/72/84/322237284.db2.gz LJXLUXSQEICGCN-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000569211409 322239585 /nfs/dbraw/zinc/23/95/85/322239585.db2.gz MJDZGKVPWIYCBW-LLVKDONJSA-N 2 1 290.329 3.235 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000569577422 322250866 /nfs/dbraw/zinc/25/08/66/322250866.db2.gz PIADJNUYIZMKBD-RRQGHBQHSA-N 2 1 281.403 3.107 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000569577421 322250895 /nfs/dbraw/zinc/25/08/95/322250895.db2.gz PIADJNUYIZMKBD-JQFCIGGWSA-N 2 1 281.403 3.107 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968855 322261740 /nfs/dbraw/zinc/26/17/40/322261740.db2.gz MYUHHCDRCGJEQZ-WBMJQRKESA-N 2 1 290.382 3.344 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968855 322261742 /nfs/dbraw/zinc/26/17/42/322261742.db2.gz MYUHHCDRCGJEQZ-WBMJQRKESA-N 2 1 290.382 3.344 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968855 322261743 /nfs/dbraw/zinc/26/17/43/322261743.db2.gz MYUHHCDRCGJEQZ-WBMJQRKESA-N 2 1 290.382 3.344 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968855 322261745 /nfs/dbraw/zinc/26/17/45/322261745.db2.gz MYUHHCDRCGJEQZ-WBMJQRKESA-N 2 1 290.382 3.344 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3sc(Cl)cc3C2)CC[NH2+]1 ZINC000570163017 322266485 /nfs/dbraw/zinc/26/64/85/322266485.db2.gz YGZZCJTYYCYGSS-MNOVXSKESA-N 2 1 284.856 3.148 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000571246409 322293863 /nfs/dbraw/zinc/29/38/63/322293863.db2.gz IKEMMBHMHOPEPR-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000571246409 322293864 /nfs/dbraw/zinc/29/38/64/322293864.db2.gz IKEMMBHMHOPEPR-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000571246409 322293865 /nfs/dbraw/zinc/29/38/65/322293865.db2.gz IKEMMBHMHOPEPR-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)c2c1 ZINC000571457777 322299441 /nfs/dbraw/zinc/29/94/41/322299441.db2.gz NLMWJICJZRHWGK-KGLIPLIRSA-N 2 1 281.403 3.002 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000572234651 322326277 /nfs/dbraw/zinc/32/62/77/322326277.db2.gz VNTXYLWEJGWCHQ-IRXDYDNUSA-N 2 1 288.435 3.180 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000573249312 322378116 /nfs/dbraw/zinc/37/81/16/322378116.db2.gz DKJPFOFGHXYZAA-OWCLPIDISA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000573445915 322388100 /nfs/dbraw/zinc/38/81/00/322388100.db2.gz ZIZXJIZUPSBVNV-MRXNPFEDSA-N 2 1 295.430 3.369 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000573487963 322390454 /nfs/dbraw/zinc/39/04/54/322390454.db2.gz MXRNYZZZLUGSLU-BHIYHBOVSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573487963 322390457 /nfs/dbraw/zinc/39/04/57/322390457.db2.gz MXRNYZZZLUGSLU-BHIYHBOVSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573487963 322390461 /nfs/dbraw/zinc/39/04/61/322390461.db2.gz MXRNYZZZLUGSLU-BHIYHBOVSA-N 2 1 284.447 3.240 20 0 CGADMP CC1(C)CCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000388955770 328596665 /nfs/dbraw/zinc/59/66/65/328596665.db2.gz ATTMIAWQMQDEHI-CYBMUJFWSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000394878251 329163671 /nfs/dbraw/zinc/16/36/71/329163671.db2.gz GPZQBYNVVDPMHL-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000582913031 329287806 /nfs/dbraw/zinc/28/78/06/329287806.db2.gz QCMXKXRJZBMKHU-UHFFFAOYSA-N 2 1 293.480 3.104 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000582913031 329287808 /nfs/dbraw/zinc/28/78/08/329287808.db2.gz QCMXKXRJZBMKHU-UHFFFAOYSA-N 2 1 293.480 3.104 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000577226177 335326413 /nfs/dbraw/zinc/32/64/13/335326413.db2.gz DGCDWEBJEIZCLN-UHFFFAOYSA-N 2 1 286.444 3.334 20 0 CGADMP CCS[C@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000579370292 335741076 /nfs/dbraw/zinc/74/10/76/335741076.db2.gz DBQJOXDYTOYARU-GJZGRUSLSA-N 2 1 281.469 3.007 20 0 CGADMP COCC[NH2+]C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000579840316 335903306 /nfs/dbraw/zinc/90/33/06/335903306.db2.gz SGYZTJQSMPVROZ-UHFFFAOYSA-N 2 1 290.451 3.010 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000581337450 336052030 /nfs/dbraw/zinc/05/20/30/336052030.db2.gz LFMIPGGXCFSSSM-MSOLQXFVSA-N 2 1 274.452 3.380 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000581972962 336181425 /nfs/dbraw/zinc/18/14/25/336181425.db2.gz PYZIPOHIPDWIEN-OIISXLGYSA-N 2 1 264.457 3.300 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc(C)n1 ZINC000423538995 533721301 /nfs/dbraw/zinc/72/13/01/533721301.db2.gz AQNPDNSHXCVBOL-MOPGFXCFSA-N 2 1 295.430 3.281 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359219640 533850098 /nfs/dbraw/zinc/85/00/98/533850098.db2.gz VNHYYBRBGZFHFS-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000086115688 535803678 /nfs/dbraw/zinc/80/36/78/535803678.db2.gz JLLVUXOAEWLSHJ-QGZVFWFLSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423497929 534232244 /nfs/dbraw/zinc/23/22/44/534232244.db2.gz AMGFGWNROVFZJB-ZOCIIQOWSA-N 2 1 298.405 3.102 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423547327 534266934 /nfs/dbraw/zinc/26/69/34/534266934.db2.gz FZCITAZLBKRXRQ-ZFWWWQNUSA-N 2 1 272.392 3.096 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000156677683 519817732 /nfs/dbraw/zinc/81/77/32/519817732.db2.gz GWUGTNMCBULVAB-MRXNPFEDSA-N 2 1 271.408 3.040 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000156109109 519817783 /nfs/dbraw/zinc/81/77/83/519817783.db2.gz BYOGTYLPZPLOIM-CQSZACIVSA-N 2 1 270.367 3.429 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000102424095 519863988 /nfs/dbraw/zinc/86/39/88/519863988.db2.gz XJUZWYAZGXWOLQ-FXFXYLOPSA-N 2 1 272.436 3.411 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)CC2 ZINC000423500103 534452646 /nfs/dbraw/zinc/45/26/46/534452646.db2.gz CTCFFJWYJSOSMB-IAGOWNOFSA-N 2 1 258.409 3.089 20 0 CGADMP c1cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2o1 ZINC000449087687 534476704 /nfs/dbraw/zinc/47/67/04/534476704.db2.gz GLKZMEHMPIKQHC-JKSUJKDBSA-N 2 1 270.376 3.149 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC000053012127 522091266 /nfs/dbraw/zinc/09/12/66/522091266.db2.gz WIERKYOCBOVDMT-LLVKDONJSA-N 2 1 287.234 3.077 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC000053012127 522091278 /nfs/dbraw/zinc/09/12/78/522091278.db2.gz WIERKYOCBOVDMT-LLVKDONJSA-N 2 1 287.234 3.077 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000086115713 522564801 /nfs/dbraw/zinc/56/48/01/522564801.db2.gz WKMZDIZHSIVJFC-SFHVURJKSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298981 534665184 /nfs/dbraw/zinc/66/51/84/534665184.db2.gz VDXXYGWBIIPRBZ-MRXNPFEDSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000449008898 534692996 /nfs/dbraw/zinc/69/29/96/534692996.db2.gz LHFXEZSDNLTFKW-UHFFFAOYSA-N 2 1 286.463 3.488 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1F ZINC000449044413 534711558 /nfs/dbraw/zinc/71/15/58/534711558.db2.gz DNOKCRYIKJZPLQ-ZBFHGGJFSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1F ZINC000449044413 534711563 /nfs/dbraw/zinc/71/15/63/534711563.db2.gz DNOKCRYIKJZPLQ-ZBFHGGJFSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1F ZINC000449044413 534711568 /nfs/dbraw/zinc/71/15/68/534711568.db2.gz DNOKCRYIKJZPLQ-ZBFHGGJFSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1F ZINC000449044413 534711571 /nfs/dbraw/zinc/71/15/71/534711571.db2.gz DNOKCRYIKJZPLQ-ZBFHGGJFSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157589502 524236595 /nfs/dbraw/zinc/23/65/95/524236595.db2.gz ORCNUOQVAHXNFH-JWHDQAAXSA-N 2 1 284.447 3.457 20 0 CGADMP Cc1cc(C)cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000088164140 524383566 /nfs/dbraw/zinc/38/35/66/524383566.db2.gz WZGCVZBCYLPWDS-AYHJJNSGSA-N 2 1 272.436 3.408 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3F)C2)CC[N@@H+]1C ZINC000157758385 525262622 /nfs/dbraw/zinc/26/26/22/525262622.db2.gz JRWGSZKKUMGLIB-JLVJUDLZSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3F)C2)CC[N@H+]1C ZINC000157758385 525262627 /nfs/dbraw/zinc/26/26/27/525262627.db2.gz JRWGSZKKUMGLIB-JLVJUDLZSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000085433363 525403051 /nfs/dbraw/zinc/40/30/51/525403051.db2.gz UDQHUBSXUVNISQ-LLVKDONJSA-N 2 1 275.421 3.041 20 0 CGADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157966185 526513012 /nfs/dbraw/zinc/51/30/12/526513012.db2.gz YVMWLOWSJUGABT-RRFJBIMHSA-N 2 1 288.460 3.092 20 0 CGADMP CC(C)(C)c1csc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358503771 526831622 /nfs/dbraw/zinc/83/16/22/526831622.db2.gz GKTGIQDKBXGGNK-UHFFFAOYSA-N 2 1 293.480 3.016 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000367897211 528105213 /nfs/dbraw/zinc/10/52/13/528105213.db2.gz LMRJJSGDMKTJQH-DOTOQJQBSA-N 2 1 275.440 3.196 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000367897211 528105221 /nfs/dbraw/zinc/10/52/21/528105221.db2.gz LMRJJSGDMKTJQH-DOTOQJQBSA-N 2 1 275.440 3.196 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000359273980 528112611 /nfs/dbraw/zinc/11/26/11/528112611.db2.gz ACLDXXYLNVLHSC-MRXNPFEDSA-N 2 1 276.424 3.004 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423279307 528166217 /nfs/dbraw/zinc/16/62/17/528166217.db2.gz RFDFJWSZUZPRNW-SUMWQHHRSA-N 2 1 276.424 3.109 20 0 CGADMP CC(C)COc1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449250895 528183173 /nfs/dbraw/zinc/18/31/73/528183173.db2.gz MWTABDIHQNTDFF-UHFFFAOYSA-N 2 1 288.435 3.073 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC000424370158 528235459 /nfs/dbraw/zinc/23/54/59/528235459.db2.gz DDISZCKURCOJST-HZSPNIEDSA-N 2 1 252.427 3.449 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000414079182 528254869 /nfs/dbraw/zinc/25/48/69/528254869.db2.gz SOGXLDCJZPYMQO-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc(Br)c1 ZINC000423323685 528361129 /nfs/dbraw/zinc/36/11/29/528361129.db2.gz KBYNEWPFOLGKNJ-BXUZGUMPSA-N 2 1 299.256 3.473 20 0 CGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221423 528474052 /nfs/dbraw/zinc/47/40/52/528474052.db2.gz ZUTAOWILHMKRTO-CHWSQXEVSA-N 2 1 296.842 3.389 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423477636 528494388 /nfs/dbraw/zinc/49/43/88/528494388.db2.gz MKTKZNSUXDSUIJ-HZPDHXFCSA-N 2 1 296.405 3.088 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccnc1 ZINC000359266805 528585121 /nfs/dbraw/zinc/58/51/21/528585121.db2.gz UNPPSVNKACOBDB-MRXNPFEDSA-N 2 1 263.429 3.099 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccnc1 ZINC000359266805 528585128 /nfs/dbraw/zinc/58/51/28/528585128.db2.gz UNPPSVNKACOBDB-MRXNPFEDSA-N 2 1 263.429 3.099 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)C)[C@@H](C)C1 ZINC000414189495 528664711 /nfs/dbraw/zinc/66/47/11/528664711.db2.gz SGZDPVITZGIKIX-BSDSXHPESA-N 2 1 296.499 3.148 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423266344 528689150 /nfs/dbraw/zinc/68/91/50/528689150.db2.gz BSINOAPFHKPCFA-DYVFJYSZSA-N 2 1 276.424 3.253 20 0 CGADMP CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367620941 528732564 /nfs/dbraw/zinc/73/25/64/528732564.db2.gz ZBKMPYCNSBMCRG-GVDBMIGSSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436284673 528818916 /nfs/dbraw/zinc/81/89/16/528818916.db2.gz YFKZZRAYTOYRPV-UHFFFAOYSA-N 2 1 277.387 3.127 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436284673 528818921 /nfs/dbraw/zinc/81/89/21/528818921.db2.gz YFKZZRAYTOYRPV-UHFFFAOYSA-N 2 1 277.387 3.127 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423302509 528821865 /nfs/dbraw/zinc/82/18/65/528821865.db2.gz VPOJTANLMVJOSR-OLZOCXBDSA-N 2 1 284.394 3.393 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449335332 528832112 /nfs/dbraw/zinc/83/21/12/528832112.db2.gz KYYHCHGEFDMVPC-OLZOCXBDSA-N 2 1 284.394 3.387 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449335332 528832114 /nfs/dbraw/zinc/83/21/14/528832114.db2.gz KYYHCHGEFDMVPC-OLZOCXBDSA-N 2 1 284.394 3.387 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367999224 528895858 /nfs/dbraw/zinc/89/58/58/528895858.db2.gz UAXLLOQIXLHCER-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000423293210 528951304 /nfs/dbraw/zinc/95/13/04/528951304.db2.gz QGXBXPDISMJUGK-AWEZNQCLSA-N 2 1 286.423 3.040 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423301137 528958298 /nfs/dbraw/zinc/95/82/98/528958298.db2.gz SOKKEBSJQRJAIJ-PBHICJAKSA-N 2 1 276.424 3.180 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000414811573 528958368 /nfs/dbraw/zinc/95/83/68/528958368.db2.gz JOQRYAIRYDOTMG-IAGOWNOFSA-N 2 1 262.441 3.423 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436274620 529001649 /nfs/dbraw/zinc/00/16/49/529001649.db2.gz ZBPAMUMXNSTCEY-UHFFFAOYSA-N 2 1 289.398 3.269 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423375571 529199619 /nfs/dbraw/zinc/19/96/19/529199619.db2.gz UDKXYVGGEGALJB-YVEFUNNKSA-N 2 1 272.392 3.236 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000423515850 529206183 /nfs/dbraw/zinc/20/61/83/529206183.db2.gz XMHWMHGWQBXPMR-ZIAGYGMSSA-N 2 1 252.427 3.306 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000414229058 529207304 /nfs/dbraw/zinc/20/73/04/529207304.db2.gz ZGNRTDCJRGHIDR-YESZJQIVSA-N 2 1 258.409 3.354 20 0 CGADMP CC(C)[C@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCC(C)CC1 ZINC000486984629 535017059 /nfs/dbraw/zinc/01/70/59/535017059.db2.gz SRZIGWJAPGCFBH-HOTGVXAUSA-N 2 1 284.513 3.086 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360110 536354091 /nfs/dbraw/zinc/35/40/91/536354091.db2.gz DMQIQMISAZTFEF-ILOCAZANSA-N 2 1 274.452 3.005 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360110 536354094 /nfs/dbraw/zinc/35/40/94/536354094.db2.gz DMQIQMISAZTFEF-ILOCAZANSA-N 2 1 274.452 3.005 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360110 536354096 /nfs/dbraw/zinc/35/40/96/536354096.db2.gz DMQIQMISAZTFEF-ILOCAZANSA-N 2 1 274.452 3.005 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000166132252 572459703 /nfs/dbraw/zinc/45/97/03/572459703.db2.gz PVXCCYWYKCCJLP-DNVCBOLYSA-N 2 1 284.447 3.446 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250702196 572530134 /nfs/dbraw/zinc/53/01/34/572530134.db2.gz UZPQDRDHEVLTOQ-IRXDYDNUSA-N 2 1 272.436 3.181 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(C)CCOc2ccccc21 ZINC000933376262 618222517 /nfs/dbraw/zinc/22/25/17/618222517.db2.gz WLQLXJYUVCDOPV-SFHVURJKSA-N 2 1 299.418 3.259 20 0 CGADMP C[N@H+](CCc1cccs1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678266 618222522 /nfs/dbraw/zinc/22/25/22/618222522.db2.gz FVUOGVITPHGRQZ-GOOCMWNKSA-N 2 1 278.465 3.143 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040623568 618232772 /nfs/dbraw/zinc/23/27/72/618232772.db2.gz XLSCRCYFNQUSCH-CYBMUJFWSA-N 2 1 296.842 3.169 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040623568 618232776 /nfs/dbraw/zinc/23/27/76/618232776.db2.gz XLSCRCYFNQUSCH-CYBMUJFWSA-N 2 1 296.842 3.169 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000891942389 618397579 /nfs/dbraw/zinc/39/75/79/618397579.db2.gz GPPWVLODXLPMPM-ZIAGYGMSSA-N 2 1 252.446 3.227 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2C)C[C@H]1C ZINC000892104992 618532398 /nfs/dbraw/zinc/53/23/98/618532398.db2.gz WXYGKFSFFIWOBQ-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2C)C[C@H]1C ZINC000892104992 618532403 /nfs/dbraw/zinc/53/24/03/618532403.db2.gz WXYGKFSFFIWOBQ-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CCCOC)CCC2)C[C@H]1C ZINC000892105276 618535422 /nfs/dbraw/zinc/53/54/22/618535422.db2.gz YVRJMSARSDFBMP-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CCCOC)CCC2)C[C@H]1C ZINC000892105276 618535427 /nfs/dbraw/zinc/53/54/27/618535427.db2.gz YVRJMSARSDFBMP-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CCCOC)CCC2)C[C@H]1C ZINC000892105276 618535434 /nfs/dbraw/zinc/53/54/34/618535434.db2.gz YVRJMSARSDFBMP-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(CCCOC)CCC2)C1 ZINC000892132971 618551012 /nfs/dbraw/zinc/55/10/12/618551012.db2.gz DOKONORKLBYQKN-QGZVFWFLSA-N 2 1 296.499 3.247 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(CCCOC)CCC2)C1 ZINC000892132971 618551020 /nfs/dbraw/zinc/55/10/20/618551020.db2.gz DOKONORKLBYQKN-QGZVFWFLSA-N 2 1 296.499 3.247 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2(CCCOC)CCC2)C1 ZINC000892132971 618551025 /nfs/dbraw/zinc/55/10/25/618551025.db2.gz DOKONORKLBYQKN-QGZVFWFLSA-N 2 1 296.499 3.247 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000161629902 618703144 /nfs/dbraw/zinc/70/31/44/618703144.db2.gz KEEQXVURLQAVAI-LBPRGKRZSA-N 2 1 281.831 3.260 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309654154 618760239 /nfs/dbraw/zinc/76/02/39/618760239.db2.gz AZPQTGISGAJDFR-KBAYOESNSA-N 2 1 272.436 3.287 20 0 CGADMP CSC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000311755496 618916700 /nfs/dbraw/zinc/91/67/00/618916700.db2.gz VQRHQLOYLNRDLZ-UHFFFAOYSA-N 2 1 282.497 3.269 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000925520259 619013470 /nfs/dbraw/zinc/01/34/70/619013470.db2.gz LQOMSVTZYAOICW-XHDPSFHLSA-N 2 1 291.826 3.094 20 0 CGADMP c1sc2ccccc2c1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925600174 619080399 /nfs/dbraw/zinc/08/03/99/619080399.db2.gz GGGPQUMKDASLKP-MRXNPFEDSA-N 2 1 286.444 3.318 20 0 CGADMP CCSc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000925731117 619202388 /nfs/dbraw/zinc/20/23/88/619202388.db2.gz JUGMFXBMEIZOET-LBPRGKRZSA-N 2 1 287.432 3.457 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893895350 619330531 /nfs/dbraw/zinc/33/05/31/619330531.db2.gz PXPJOXSJJSQHOE-WVMKXHBISA-N 2 1 278.362 3.178 20 0 CGADMP Cc1coc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000894096857 619370555 /nfs/dbraw/zinc/37/05/55/619370555.db2.gz YSABGJUCOBIWKD-YOEHRIQHSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000894096857 619370558 /nfs/dbraw/zinc/37/05/58/619370558.db2.gz YSABGJUCOBIWKD-YOEHRIQHSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000894096857 619370562 /nfs/dbraw/zinc/37/05/62/619370562.db2.gz YSABGJUCOBIWKD-YOEHRIQHSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000894096857 619370565 /nfs/dbraw/zinc/37/05/65/619370565.db2.gz YSABGJUCOBIWKD-YOEHRIQHSA-N 2 1 274.408 3.037 20 0 CGADMP CC1(O)CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000894223263 619430604 /nfs/dbraw/zinc/43/06/04/619430604.db2.gz MHUOCMFBYZPDQS-IIIMJFFVSA-N 2 1 294.483 3.067 20 0 CGADMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Cl ZINC000262019314 619526391 /nfs/dbraw/zinc/52/63/91/619526391.db2.gz NBTFIWBSJUFAIQ-UHFFFAOYSA-N 2 1 282.790 3.055 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1nccc2ccccc21 ZINC000894782378 619634423 /nfs/dbraw/zinc/63/44/23/619634423.db2.gz KWLZRGACAQKVLG-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1nccc2ccccc21 ZINC000894782378 619634425 /nfs/dbraw/zinc/63/44/25/619634425.db2.gz KWLZRGACAQKVLG-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1nccc2ccccc21 ZINC000894782378 619634426 /nfs/dbraw/zinc/63/44/26/619634426.db2.gz KWLZRGACAQKVLG-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1nccc2ccccc21 ZINC000894782378 619634427 /nfs/dbraw/zinc/63/44/27/619634427.db2.gz KWLZRGACAQKVLG-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860007 619656728 /nfs/dbraw/zinc/65/67/28/619656728.db2.gz SIXQJNBGXDPUKO-HNSSHINMSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860007 619656731 /nfs/dbraw/zinc/65/67/31/619656731.db2.gz SIXQJNBGXDPUKO-HNSSHINMSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860007 619656733 /nfs/dbraw/zinc/65/67/33/619656733.db2.gz SIXQJNBGXDPUKO-HNSSHINMSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860007 619656737 /nfs/dbraw/zinc/65/67/37/619656737.db2.gz SIXQJNBGXDPUKO-HNSSHINMSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000895587503 619855294 /nfs/dbraw/zinc/85/52/94/619855294.db2.gz XBAJKSYXQUWKQD-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc(C2CC2)o1 ZINC000895683809 619872766 /nfs/dbraw/zinc/87/27/66/619872766.db2.gz STBWEMSHSDZXFW-UHFFFAOYSA-N 2 1 291.439 3.250 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CC1(C)C ZINC000840713890 620150359 /nfs/dbraw/zinc/15/03/59/620150359.db2.gz GIDYGWFEKVHSFM-HZPDHXFCSA-N 2 1 298.434 3.490 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnn1C1CCC1 ZINC000925219631 620236084 /nfs/dbraw/zinc/23/60/84/620236084.db2.gz FMNHOFRIINLBJN-SQWLQELKSA-N 2 1 290.455 3.132 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621753 620411233 /nfs/dbraw/zinc/41/12/33/620411233.db2.gz REKPVKWNLXUWON-FYQPLNBISA-N 2 1 298.474 3.380 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621753 620411235 /nfs/dbraw/zinc/41/12/35/620411235.db2.gz REKPVKWNLXUWON-FYQPLNBISA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621753 620411239 /nfs/dbraw/zinc/41/12/39/620411239.db2.gz REKPVKWNLXUWON-FYQPLNBISA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621753 620411241 /nfs/dbraw/zinc/41/12/41/620411241.db2.gz REKPVKWNLXUWON-FYQPLNBISA-N 2 1 298.474 3.380 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)CC2)cc1 ZINC000897955145 620455515 /nfs/dbraw/zinc/45/55/15/620455515.db2.gz PVPLJVOFMWDPON-YSIASYRMSA-N 2 1 298.474 3.472 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000311025510 620459313 /nfs/dbraw/zinc/45/93/13/620459313.db2.gz PANJTDCHLMSRLE-NWDGAFQWSA-N 2 1 262.388 3.117 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000311025510 620459314 /nfs/dbraw/zinc/45/93/14/620459314.db2.gz PANJTDCHLMSRLE-NWDGAFQWSA-N 2 1 262.388 3.117 20 0 CGADMP FC1(F)CCC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000898031810 620469328 /nfs/dbraw/zinc/46/93/28/620469328.db2.gz OPZNMEQJJNFYGP-LSDHHAIUSA-N 2 1 286.410 3.418 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(C)C)CC2)C1 ZINC000054555960 620518228 /nfs/dbraw/zinc/51/82/28/620518228.db2.gz FEDHVMZTRBDYAZ-FHERZECASA-N 2 1 252.446 3.133 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CC=CC2)[C@@H](C)C1 ZINC000926952473 620554290 /nfs/dbraw/zinc/55/42/90/620554290.db2.gz YHMMBZUDXVWAPZ-WMZOPIPTSA-N 2 1 294.483 3.069 20 0 CGADMP C[C@@H](C[NH2+][C@@H](c1ccccn1)C1CCC1)C[NH+]1CCCC1 ZINC000924714302 620572993 /nfs/dbraw/zinc/57/29/93/620572993.db2.gz JTSXYSLMTSVLHD-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP C[N@@H+](CCCN[C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902333165 621268219 /nfs/dbraw/zinc/26/82/19/621268219.db2.gz HOVNLLQGLPEOIQ-MRXNPFEDSA-N 2 1 295.515 3.009 20 0 CGADMP C[N@H+](CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902333165 621268228 /nfs/dbraw/zinc/26/82/28/621268228.db2.gz HOVNLLQGLPEOIQ-MRXNPFEDSA-N 3 1 295.515 3.009 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902333165 621268238 /nfs/dbraw/zinc/26/82/38/621268238.db2.gz HOVNLLQGLPEOIQ-MRXNPFEDSA-N 3 1 295.515 3.009 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)C1 ZINC000902375484 621280991 /nfs/dbraw/zinc/28/09/91/621280991.db2.gz CRTLBYUWGRYBPG-DOMZBBRYSA-N 2 1 292.398 3.017 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000902404109 621307642 /nfs/dbraw/zinc/30/76/42/621307642.db2.gz CDKCLBOSYZCLDM-GFCCVEGCSA-N 2 1 288.313 3.117 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(SCC(F)F)cc1 ZINC000902414065 621323430 /nfs/dbraw/zinc/32/34/30/621323430.db2.gz RJYAGNAMKBWQIB-JTQLQIEISA-N 2 1 286.391 3.186 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cncs1 ZINC000902454455 621333257 /nfs/dbraw/zinc/33/32/57/621333257.db2.gz HUQOOKGIHJLQLA-AGIUHOORSA-N 2 1 267.442 3.105 20 0 CGADMP Clc1ccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC000902461539 621335620 /nfs/dbraw/zinc/33/56/20/621335620.db2.gz OLPAMWXNJPSYCF-ZZTPXLKCSA-N 2 1 290.838 3.459 20 0 CGADMP CCNc1ccccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000902587350 621382371 /nfs/dbraw/zinc/38/23/71/621382371.db2.gz PNWBIEVGHCAONH-UHFFFAOYSA-N 2 1 275.440 3.082 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCOCC1 ZINC000903069818 621567860 /nfs/dbraw/zinc/56/78/60/621567860.db2.gz JWSUFIYQVDIABX-SJLPKXTDSA-N 2 1 296.499 3.149 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903122374 621589542 /nfs/dbraw/zinc/58/95/42/621589542.db2.gz YSJDGDMKPFJCKO-NSEAXLEKSA-N 2 1 296.458 3.365 20 0 CGADMP CSC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000903156904 621602168 /nfs/dbraw/zinc/60/21/68/621602168.db2.gz RJSBHAIRYGWCTA-SWHNLWLKSA-N 2 1 296.524 3.371 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)[C@@H]2CCC[C@@H]21 ZINC000903160588 621604850 /nfs/dbraw/zinc/60/48/50/621604850.db2.gz RBUFTTWCDVTLRQ-MTFTWBNISA-N 2 1 294.508 3.123 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cncc(F)c1 ZINC000903147993 621610624 /nfs/dbraw/zinc/61/06/24/621610624.db2.gz OOHYIFAWKUHNKJ-HVYHFCKSSA-N 2 1 289.398 3.029 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cncc(F)c1 ZINC000903147993 621610630 /nfs/dbraw/zinc/61/06/30/621610630.db2.gz OOHYIFAWKUHNKJ-HVYHFCKSSA-N 2 1 289.398 3.029 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1(C3CC3)CCC1)C2 ZINC000903222097 621633834 /nfs/dbraw/zinc/63/38/34/621633834.db2.gz VQBFWIPHMDVLLF-VHRNVKJDSA-N 2 1 260.425 3.067 20 0 CGADMP C1=CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903224124 621635404 /nfs/dbraw/zinc/63/54/04/621635404.db2.gz QGGIOYIVPBEMGU-ZXFUBFMLSA-N 2 1 260.425 3.090 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)[C@@H]2CCC[C@H]21 ZINC000903280595 621660324 /nfs/dbraw/zinc/66/03/24/621660324.db2.gz WALJWDRRXJLUCL-FXUDXRNXSA-N 2 1 262.441 3.172 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000903431407 621743616 /nfs/dbraw/zinc/74/36/16/621743616.db2.gz NAUPPAFSXOQSLT-YUTCNCBUSA-N 2 1 250.411 3.012 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCCC[C@H]12 ZINC000903430836 621744570 /nfs/dbraw/zinc/74/45/70/621744570.db2.gz DLFDNGFONRIATQ-IBEHDNSVSA-N 2 1 250.430 3.014 20 0 CGADMP CC1(C)C(C)(C)C1(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000903441728 621751277 /nfs/dbraw/zinc/75/12/77/621751277.db2.gz DTFIDOMBHSTQSX-UHFFFAOYSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464097 621753684 /nfs/dbraw/zinc/75/36/84/621753684.db2.gz ZGEWNEPQKNGYMK-HIFRSBDPSA-N 2 1 264.388 3.165 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2[nH]1 ZINC000903463883 621753753 /nfs/dbraw/zinc/75/37/53/621753753.db2.gz QUCOKWUFNXRCKI-SFHVURJKSA-N 2 1 297.446 3.380 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2[nH]1 ZINC000903445525 621757685 /nfs/dbraw/zinc/75/76/85/621757685.db2.gz LDCVLSXTLPSNQE-DLBZAZTESA-N 2 1 283.419 3.132 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903482829 621765229 /nfs/dbraw/zinc/76/52/29/621765229.db2.gz VETKDGLJDFLKPZ-HZPDHXFCSA-N 2 1 296.405 3.486 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903491098 621766957 /nfs/dbraw/zinc/76/69/57/621766957.db2.gz UYUXOAUURVZWEZ-LBPRGKRZSA-N 2 1 296.352 3.262 20 0 CGADMP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000903500339 621766993 /nfs/dbraw/zinc/76/69/93/621766993.db2.gz XLODFFGWSILQJA-HUUCEWRRSA-N 2 1 299.418 3.067 20 0 CGADMP CCCCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000903725000 621796937 /nfs/dbraw/zinc/79/69/37/621796937.db2.gz UIFKKHBNZHYCIA-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CCCC[NH2+]C2)s1 ZINC000903739105 621801091 /nfs/dbraw/zinc/80/10/91/621801091.db2.gz BYFYOCUMUVSADE-TZMCWYRMSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)s1 ZINC000903739105 621801092 /nfs/dbraw/zinc/80/10/92/621801092.db2.gz BYFYOCUMUVSADE-TZMCWYRMSA-N 2 1 281.469 3.142 20 0 CGADMP CC1(C)CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000903823820 621816571 /nfs/dbraw/zinc/81/65/71/621816571.db2.gz KFCMMNVSEQSXMX-DOTOQJQBSA-N 2 1 272.436 3.112 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000903841901 621819365 /nfs/dbraw/zinc/81/93/65/621819365.db2.gz HZFJFCCMSDYQMT-CENBSLRLSA-N 2 1 276.811 3.139 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879260 621825364 /nfs/dbraw/zinc/82/53/64/621825364.db2.gz WPQAFEGSNRGATF-ONQFOCNCSA-N 2 1 270.420 3.354 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903875938 621825415 /nfs/dbraw/zinc/82/54/15/621825415.db2.gz UJSOYYYMIZBPNX-DLBZAZTESA-N 2 1 282.472 3.034 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)C[C@H]([NH3+])CC(F)F ZINC000903883044 621826080 /nfs/dbraw/zinc/82/60/80/621826080.db2.gz DSMATBVXEUUSPG-CQSZACIVSA-N 2 1 278.346 3.254 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)C[C@H]([NH3+])CC(F)F ZINC000903883044 621826082 /nfs/dbraw/zinc/82/60/82/621826082.db2.gz DSMATBVXEUUSPG-CQSZACIVSA-N 2 1 278.346 3.254 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccc(F)cc1 ZINC000903920234 621833181 /nfs/dbraw/zinc/83/31/81/621833181.db2.gz HIBHCYLXXOIHBT-OCCSQVGLSA-N 2 1 288.357 3.485 20 0 CGADMP C[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)CC12CCCCC2 ZINC000903916496 621836326 /nfs/dbraw/zinc/83/63/26/621836326.db2.gz SPJQWESUHSPUCZ-QWHCGFSZSA-N 2 1 274.399 3.261 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)CC12CCCCC2 ZINC000903916496 621836327 /nfs/dbraw/zinc/83/63/27/621836327.db2.gz SPJQWESUHSPUCZ-QWHCGFSZSA-N 2 1 274.399 3.261 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000903938498 621836434 /nfs/dbraw/zinc/83/64/34/621836434.db2.gz DTOVGPGWWCHGRG-UHFFFAOYSA-N 2 1 275.421 3.027 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903960228 621837959 /nfs/dbraw/zinc/83/79/59/621837959.db2.gz ZSFFKXFMLLLKLC-IBGZPJMESA-N 2 1 295.430 3.200 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954068 621842462 /nfs/dbraw/zinc/84/24/62/621842462.db2.gz PIFUEZQPBPVXPJ-OAHLLOKOSA-N 2 1 296.405 3.319 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC[NH2+]1 ZINC000903953393 621842733 /nfs/dbraw/zinc/84/27/33/621842733.db2.gz FEWHDVGSDUQTAS-CRWXNKLISA-N 2 1 290.373 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)C[C@H]1CC[NH3+] ZINC000903977305 621844335 /nfs/dbraw/zinc/84/43/35/621844335.db2.gz OTIWVPGWSUUXDB-TZMCWYRMSA-N 2 1 293.480 3.217 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000904301742 621902018 /nfs/dbraw/zinc/90/20/18/621902018.db2.gz QEQWVIQSHFUWTH-SMDDNHRTSA-N 2 1 286.341 3.323 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000904301742 621902021 /nfs/dbraw/zinc/90/20/21/621902021.db2.gz QEQWVIQSHFUWTH-SMDDNHRTSA-N 2 1 286.341 3.323 20 0 CGADMP COc1ccc(C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000904305273 621902039 /nfs/dbraw/zinc/90/20/39/621902039.db2.gz JILBMKNQFRMUEP-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904301242 621902254 /nfs/dbraw/zinc/90/22/54/621902254.db2.gz JFFNYWOSEATOJW-QZTJIDSGSA-N 2 1 288.435 3.222 20 0 CGADMP COCC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000904309846 621902998 /nfs/dbraw/zinc/90/29/98/621902998.db2.gz QRKCQGGHOIRTED-WMZOPIPTSA-N 2 1 290.451 3.086 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@H]2c2ccccc2)C1 ZINC000904311881 621903176 /nfs/dbraw/zinc/90/31/76/621903176.db2.gz JVUAINTUWTYSFC-UAGQMJEPSA-N 2 1 258.409 3.341 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000904309363 621903249 /nfs/dbraw/zinc/90/32/49/621903249.db2.gz IQLOUPNMNGBNNL-CVAIRZPRSA-N 2 1 292.426 3.371 20 0 CGADMP C[N@H+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C2(CCCCC2)C1 ZINC000904326069 621907355 /nfs/dbraw/zinc/90/73/55/621907355.db2.gz DEUWKHPQITTZBL-MRXNPFEDSA-N 2 1 295.515 3.090 20 0 CGADMP CC[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000904336327 621908455 /nfs/dbraw/zinc/90/84/55/621908455.db2.gz NUWDMPXECNARKW-RHSMWYFYSA-N 2 1 276.424 3.165 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000904405058 621917865 /nfs/dbraw/zinc/91/78/65/621917865.db2.gz IBPKRZGLYDDWET-LBPRGKRZSA-N 2 1 284.806 3.082 20 0 CGADMP Cc1nc2ccc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cc2s1 ZINC000904409835 621918775 /nfs/dbraw/zinc/91/87/75/621918775.db2.gz JQQCXTBJERMIPZ-BXUZGUMPSA-N 2 1 289.448 3.021 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000904406741 621918920 /nfs/dbraw/zinc/91/89/20/621918920.db2.gz ZCUSALVABWAVMU-CHWSQXEVSA-N 2 1 266.816 3.114 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC000904430572 621921266 /nfs/dbraw/zinc/92/12/66/621921266.db2.gz JSMPAEZPGNSXDB-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC000904430572 621921268 /nfs/dbraw/zinc/92/12/68/621921268.db2.gz JSMPAEZPGNSXDB-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP c1cc2[nH+]ccc(N3CCCC[C@@]4(CC[NH2+]C4)C3)c2s1 ZINC000905681159 622096540 /nfs/dbraw/zinc/09/65/40/622096540.db2.gz KYOJBFDKBKCTKI-INIZCTEOSA-N 2 1 287.432 3.266 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906586095 622249649 /nfs/dbraw/zinc/24/96/49/622249649.db2.gz CQORDAUSPCGLTO-ZACQAIPSSA-N 2 1 276.399 3.098 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906586095 622249652 /nfs/dbraw/zinc/24/96/52/622249652.db2.gz CQORDAUSPCGLTO-ZACQAIPSSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)C[NH+]1CCCC1 ZINC000165311513 622858543 /nfs/dbraw/zinc/85/85/43/622858543.db2.gz KMTWXFHJTFOSIQ-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000226434752 622967324 /nfs/dbraw/zinc/96/73/24/622967324.db2.gz FWAFYWUDTRINOZ-LBPRGKRZSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000226434752 622967327 /nfs/dbraw/zinc/96/73/27/622967327.db2.gz FWAFYWUDTRINOZ-LBPRGKRZSA-N 2 1 287.234 3.425 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000916836783 624216589 /nfs/dbraw/zinc/21/65/89/624216589.db2.gz MUPZJJFWBZDBBB-UHFFFAOYSA-N 2 1 293.798 3.033 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)C12CCC2 ZINC000925476654 624441603 /nfs/dbraw/zinc/44/16/03/624441603.db2.gz HMTFESWLBPAAIE-KURKYZTESA-N 2 1 293.414 3.031 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921496371 624597495 /nfs/dbraw/zinc/59/74/95/624597495.db2.gz SWGVPNUGDRBHMI-BRSBDYLESA-N 2 1 294.483 3.046 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000921774311 625871446 /nfs/dbraw/zinc/87/14/46/625871446.db2.gz DHIIDSNBHKYLDT-HUUCEWRRSA-N 2 1 281.469 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nccc2c1CCCC2 ZINC000921774255 625871882 /nfs/dbraw/zinc/87/18/82/625871882.db2.gz CAZCBIPFGIOVLZ-UHFFFAOYSA-N 2 1 298.434 3.035 20 0 CGADMP C[C@H](C[NH2+]Cc1cccc(Oc2ccccn2)c1)C[NH+](C)C ZINC000922140502 625972092 /nfs/dbraw/zinc/97/20/92/625972092.db2.gz QKTBBNLSLTYATC-OAHLLOKOSA-N 2 1 299.418 3.161 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923306852 626144138 /nfs/dbraw/zinc/14/41/38/626144138.db2.gz NPVSWEAGVLCQPS-BTFYYFJDSA-N 2 1 289.423 3.041 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)on1 ZINC000923305482 626145192 /nfs/dbraw/zinc/14/51/92/626145192.db2.gz CEFWFYIDXZKEJM-UYTSQGDYSA-N 2 1 289.423 3.041 20 0 CGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)c1 ZINC000923324603 626146576 /nfs/dbraw/zinc/14/65/76/626146576.db2.gz ITYWTCSJECZHPT-SFHVURJKSA-N 2 1 287.451 3.032 20 0 CGADMP C[C@H]1CCC(C)(C)[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923420323 626153360 /nfs/dbraw/zinc/15/33/60/626153360.db2.gz HXYQNFRIKNXVGD-AVOUXACISA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1C[NH3+] ZINC000923499273 626158613 /nfs/dbraw/zinc/15/86/13/626158613.db2.gz MIGSLIBRKVDMDN-KDOFPFPSSA-N 2 1 268.404 3.257 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183474 626327108 /nfs/dbraw/zinc/32/71/08/626327108.db2.gz WVUDOAZXQBARLU-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC3(CC3)CC2)cn1 ZINC000752881481 626441301 /nfs/dbraw/zinc/44/13/01/626441301.db2.gz CJJHNLIIWDIGTL-UHFFFAOYSA-N 2 1 296.418 3.388 20 0 CGADMP C[N@@H+](C/C=C/Cl)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000754350808 626568583 /nfs/dbraw/zinc/56/85/83/626568583.db2.gz GDXVWMOQMVTLSQ-UWKIBWCGSA-N 2 1 277.239 3.278 20 0 CGADMP CN(C/C=C/Cl)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000754350808 626568587 /nfs/dbraw/zinc/56/85/87/626568587.db2.gz GDXVWMOQMVTLSQ-UWKIBWCGSA-N 2 1 277.239 3.278 20 0 CGADMP CN(C/C=C/Cl)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000754350808 626568589 /nfs/dbraw/zinc/56/85/89/626568589.db2.gz GDXVWMOQMVTLSQ-UWKIBWCGSA-N 2 1 277.239 3.278 20 0 CGADMP C[C@@H]([NH2+]CCCCCCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754463356 626573008 /nfs/dbraw/zinc/57/30/08/626573008.db2.gz AEPITNCKFHGPAV-IAGOWNOFSA-N 2 1 296.499 3.172 20 0 CGADMP C[NH+](C)CC1(C[NH2+]Cc2cnc3ccccc3c2)CCCC1 ZINC000759184336 626879032 /nfs/dbraw/zinc/87/90/32/626879032.db2.gz ARMKEJYRNLOFOV-UHFFFAOYSA-N 2 1 297.446 3.446 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000769472302 627557527 /nfs/dbraw/zinc/55/75/27/627557527.db2.gz HBLPFUONGZJFPD-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP c1ccc2c(c1)cncc2C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000769472302 627557530 /nfs/dbraw/zinc/55/75/30/627557530.db2.gz HBLPFUONGZJFPD-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000769482109 627559449 /nfs/dbraw/zinc/55/94/49/627559449.db2.gz YZKGDHJLFXOTAQ-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccccc2[nH]1 ZINC000775621514 628114054 /nfs/dbraw/zinc/11/40/54/628114054.db2.gz KWFFAFYGRNPBFD-QANKJYHBSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccccc2[nH]1 ZINC000775621514 628114057 /nfs/dbraw/zinc/11/40/57/628114057.db2.gz KWFFAFYGRNPBFD-QANKJYHBSA-N 2 1 283.419 3.445 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1OC ZINC000776164977 628173776 /nfs/dbraw/zinc/17/37/76/628173776.db2.gz WMBUBSIPZMBOFY-SLUKUZTOSA-N 2 1 294.483 3.185 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1OC ZINC000776164977 628173777 /nfs/dbraw/zinc/17/37/77/628173777.db2.gz WMBUBSIPZMBOFY-SLUKUZTOSA-N 2 1 294.483 3.185 20 0 CGADMP FCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000777589890 628286061 /nfs/dbraw/zinc/28/60/61/628286061.db2.gz WJQOXUMGEFWIIK-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP FCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000777589890 628286064 /nfs/dbraw/zinc/28/60/64/628286064.db2.gz WJQOXUMGEFWIIK-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777594852 628286748 /nfs/dbraw/zinc/28/67/48/628286748.db2.gz RMPBLMPGVYUONV-KRWDZBQOSA-N 2 1 278.415 3.320 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777594852 628286750 /nfs/dbraw/zinc/28/67/50/628286750.db2.gz RMPBLMPGVYUONV-KRWDZBQOSA-N 2 1 278.415 3.320 20 0 CGADMP Cc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000780712079 628510036 /nfs/dbraw/zinc/51/00/36/628510036.db2.gz WFOUZSSLFJRNMN-UHFFFAOYSA-N 2 1 258.409 3.102 20 0 CGADMP C[C@@H](C1CC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000782180996 628620465 /nfs/dbraw/zinc/62/04/65/628620465.db2.gz NSWPFBZXQZHXLZ-OWCLPIDISA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000783291341 628699345 /nfs/dbraw/zinc/69/93/45/628699345.db2.gz OZLHJWWZLQHVGQ-HOSILWTGSA-N 2 1 250.430 3.028 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)cc1 ZINC000788471045 629056605 /nfs/dbraw/zinc/05/66/05/629056605.db2.gz ROCBLCMCIJWGDR-SFHVURJKSA-N 2 1 288.435 3.174 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000788471319 629056686 /nfs/dbraw/zinc/05/66/86/629056686.db2.gz OZJQBZNZTVNAFH-CQSZACIVSA-N 2 1 264.438 3.227 20 0 CGADMP CC[N@H+](Cc1c(F)cccc1F)CC1CC[NH+](C)CC1 ZINC000788477566 629057669 /nfs/dbraw/zinc/05/76/69/629057669.db2.gz XIXKEIJJSCTAII-UHFFFAOYSA-N 2 1 282.378 3.129 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000788475126 629057675 /nfs/dbraw/zinc/05/76/75/629057675.db2.gz BHMYUAROAKPAPR-GOSISDBHSA-N 2 1 290.426 3.174 20 0 CGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)c1cccc(OC)c1 ZINC000788479640 629058287 /nfs/dbraw/zinc/05/82/87/629058287.db2.gz YKHSJWVPBPADLR-OAHLLOKOSA-N 2 1 290.451 3.420 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000788482545 629058298 /nfs/dbraw/zinc/05/82/98/629058298.db2.gz WTQBLYCAJVCFIB-LJQANCHMSA-N 2 1 286.463 3.382 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790055708 629180872 /nfs/dbraw/zinc/18/08/72/629180872.db2.gz QQJULKPSJJLBKL-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795926469 629726321 /nfs/dbraw/zinc/72/63/21/629726321.db2.gz GGDLYNLKRNMWHK-BZSNNMDCSA-N 2 1 294.483 3.212 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000795926469 629726329 /nfs/dbraw/zinc/72/63/29/629726329.db2.gz GGDLYNLKRNMWHK-BZSNNMDCSA-N 2 1 294.483 3.212 20 0 CGADMP C[N@@H+](Cc1nc(C(C)(C)C)cs1)CC1CC[NH+](C)CC1 ZINC000120266952 629934268 /nfs/dbraw/zinc/93/42/68/629934268.db2.gz AYHVSHTWVWLXMI-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP C[N@H+](Cc1nc(C(C)(C)C)cs1)CC1CC[NH+](C)CC1 ZINC000120266952 629934282 /nfs/dbraw/zinc/93/42/82/629934282.db2.gz AYHVSHTWVWLXMI-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccccc1 ZINC000925493644 630058590 /nfs/dbraw/zinc/05/85/90/630058590.db2.gz YHRBFGNTLIIRTG-FDQGKXFDSA-N 2 1 266.388 3.004 20 0 CGADMP CCCCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177620 630153260 /nfs/dbraw/zinc/15/32/60/630153260.db2.gz YRGJHOFZRWIYJR-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP CC(C)(C)OC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000865697900 630385546 /nfs/dbraw/zinc/38/55/46/630385546.db2.gz CYEWWYFFHCMPOX-GMRIPVOYSA-N 2 1 294.483 3.329 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806127685 630545128 /nfs/dbraw/zinc/54/51/28/630545128.db2.gz IXQNHUZXOQFBEN-AWEZNQCLSA-N 2 1 293.842 3.186 20 0 CGADMP CC(C)C(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000808718497 630670766 /nfs/dbraw/zinc/67/07/66/630670766.db2.gz VMODNFXICIGLON-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000808718497 630670767 /nfs/dbraw/zinc/67/07/67/630670767.db2.gz VMODNFXICIGLON-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000808733178 630672833 /nfs/dbraw/zinc/67/28/33/630672833.db2.gz RTFHZESGMWSAMN-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000808733178 630672835 /nfs/dbraw/zinc/67/28/35/630672835.db2.gz RTFHZESGMWSAMN-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]c2cc(OC)ccc12 ZINC000811803823 631120461 /nfs/dbraw/zinc/12/04/61/631120461.db2.gz SUPOHJZWDQZOBS-ZDUSSCGKSA-N 2 1 287.407 3.386 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2C)C1 ZINC000815560281 631795767 /nfs/dbraw/zinc/79/57/67/631795767.db2.gz CNCIEFSHILVUMD-ZIAGYGMSSA-N 2 1 264.388 3.127 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Cl)nc1 ZINC000817938081 632237454 /nfs/dbraw/zinc/23/74/54/632237454.db2.gz DBOCMOSSDNHKAM-LLVKDONJSA-N 2 1 267.804 3.047 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCO2 ZINC000817982516 632272829 /nfs/dbraw/zinc/27/28/29/632272829.db2.gz UQAMZNCKLGHQBF-DLBZAZTESA-N 2 1 288.435 3.180 20 0 CGADMP [NH3+]C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000818330595 632307643 /nfs/dbraw/zinc/30/76/43/632307643.db2.gz BZERCDILWSEMKU-RYUDHWBXSA-N 2 1 279.255 3.068 20 0 CGADMP CCO[C@H](C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)C1CC1 ZINC000879702991 635839345 /nfs/dbraw/zinc/83/93/45/635839345.db2.gz BTTVOARLSLLZGG-GOSISDBHSA-N 2 1 296.499 3.101 20 0 CGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865829603 632904179 /nfs/dbraw/zinc/90/41/79/632904179.db2.gz CWHZHMSTOWYKLX-XJFOESAGSA-N 2 1 288.357 3.100 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)CCc1cccnc1)[NH+]1CCCC1 ZINC000866226524 633035244 /nfs/dbraw/zinc/03/52/44/633035244.db2.gz LYHOLVOMBCEMIB-SJLPKXTDSA-N 2 1 289.467 3.113 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000866261858 633050481 /nfs/dbraw/zinc/05/04/81/633050481.db2.gz XTAWEBOAVGNAFB-AEFFLSMTSA-N 2 1 289.467 3.489 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccn1 ZINC000866261858 633050487 /nfs/dbraw/zinc/05/04/87/633050487.db2.gz XTAWEBOAVGNAFB-AEFFLSMTSA-N 2 1 289.467 3.489 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000866372172 633108636 /nfs/dbraw/zinc/10/86/36/633108636.db2.gz DVOKIKNENDGOBJ-IRXDYDNUSA-N 2 1 274.452 3.248 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1F ZINC000823602423 633125751 /nfs/dbraw/zinc/12/57/51/633125751.db2.gz MVYVYBBMRJNRDU-MRXNPFEDSA-N 2 1 280.362 3.101 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CCC1 ZINC000823676419 633136266 /nfs/dbraw/zinc/13/62/66/633136266.db2.gz BNAYFMJXGOMFJZ-INIZCTEOSA-N 2 1 284.407 3.244 20 0 CGADMP CCC1([NH+]2CCCC2)CCN(CCCCCCC[NH3+])CC1 ZINC000866672410 633229860 /nfs/dbraw/zinc/22/98/60/633229860.db2.gz LTPATSFBKGOGQF-UHFFFAOYSA-N 2 1 295.515 3.236 20 0 CGADMP C[N@@H+](C[C@]1(C)CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000829720146 633769856 /nfs/dbraw/zinc/76/98/56/633769856.db2.gz OXJXVNLHABHBQY-HNGCFSAESA-N 2 1 291.266 3.127 20 0 CGADMP C[NH+](C[C@]1(C)CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000829720146 633769861 /nfs/dbraw/zinc/76/98/61/633769861.db2.gz OXJXVNLHABHBQY-HNGCFSAESA-N 2 1 291.266 3.127 20 0 CGADMP C[NH+](C[C@]1(C)CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000829720146 633769871 /nfs/dbraw/zinc/76/98/71/633769871.db2.gz OXJXVNLHABHBQY-HNGCFSAESA-N 2 1 291.266 3.127 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000872023632 633944410 /nfs/dbraw/zinc/94/44/10/633944410.db2.gz UIGFZWBTJOJJFJ-KURKYZTESA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872027333 633947088 /nfs/dbraw/zinc/94/70/88/633947088.db2.gz KXDWCUFOUFNVHW-LTIDMASMSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872027333 633947094 /nfs/dbraw/zinc/94/70/94/633947094.db2.gz KXDWCUFOUFNVHW-LTIDMASMSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872034417 633953449 /nfs/dbraw/zinc/95/34/49/633953449.db2.gz NRYATKAMHXAJOC-ZACQAIPSSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)CC ZINC000872035441 633954253 /nfs/dbraw/zinc/95/42/53/633954253.db2.gz MNYUOFUJXJXJQI-CVEARBPZSA-N 2 1 284.488 3.028 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872037466 633956552 /nfs/dbraw/zinc/95/65/52/633956552.db2.gz BVZQALFCMKHMQF-IJLUTSLNSA-N 2 1 266.351 3.180 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000872037466 633956558 /nfs/dbraw/zinc/95/65/58/633956558.db2.gz BVZQALFCMKHMQF-IJLUTSLNSA-N 2 1 266.351 3.180 20 0 CGADMP CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000872075687 633999078 /nfs/dbraw/zinc/99/90/78/633999078.db2.gz UECFBNAKZCFKCS-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000846217559 636161195 /nfs/dbraw/zinc/16/11/95/636161195.db2.gz DHVPOONVDVOYNJ-INIZCTEOSA-N 2 1 278.465 3.296 20 0 CGADMP COc1ccc([C@@H]2CC[N@@H+](CCCCCC[NH3+])C2)cc1 ZINC000846218717 636161445 /nfs/dbraw/zinc/16/14/45/636161445.db2.gz WYCWPLGSGSHJIK-MRXNPFEDSA-N 2 1 276.424 3.004 20 0 CGADMP C[N@@H+](CCc1ccccc1F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000846218741 636161454 /nfs/dbraw/zinc/16/14/54/636161454.db2.gz SOHXZCIEBFYSNQ-UHFFFAOYSA-N 2 1 298.405 3.146 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)on1 ZINC000872156691 634067384 /nfs/dbraw/zinc/06/73/84/634067384.db2.gz LEUNYLMMMZFCHO-YOEHRIQHSA-N 2 1 291.439 3.103 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1)C1CCCC1 ZINC000872157038 634067671 /nfs/dbraw/zinc/06/76/71/634067671.db2.gz NCYYFRLDUUIHAH-BPQIPLTHSA-N 2 1 294.483 3.175 20 0 CGADMP Cc1cccc(N2CCC(C)([NH+]3CCCCC3)CC2)[nH+]1 ZINC000872665957 634184304 /nfs/dbraw/zinc/18/43/04/634184304.db2.gz UUNSZVFPRWKOIA-UHFFFAOYSA-N 2 1 273.424 3.235 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834878174 634263859 /nfs/dbraw/zinc/26/38/59/634263859.db2.gz OCZCAKVYOTVVGU-YZDRTPDPSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873203182 634285192 /nfs/dbraw/zinc/28/51/92/634285192.db2.gz SBJAXTCPXVAIJV-NSHDSACASA-N 2 1 276.449 3.157 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnc(Cl)c1 ZINC000834911630 634285513 /nfs/dbraw/zinc/28/55/13/634285513.db2.gz ZSPCFPUUETZTGR-GFCCVEGCSA-N 2 1 281.831 3.260 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000873229367 634291066 /nfs/dbraw/zinc/29/10/66/634291066.db2.gz VFSBYPQSLHBSEW-WJFTUGDTSA-N 2 1 284.447 3.038 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1nccc2ccccc21 ZINC000873231710 634293871 /nfs/dbraw/zinc/29/38/71/634293871.db2.gz UYVRRAVFOAIIGP-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2cncs2)C1)C1CCCC1 ZINC000873232457 634294584 /nfs/dbraw/zinc/29/45/84/634294584.db2.gz QEEREOZHSBTEFI-BBRMVZONSA-N 2 1 293.480 3.263 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835061939 634343112 /nfs/dbraw/zinc/34/31/12/634343112.db2.gz LOFHJMYGNVLNNI-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000840808132 635056023 /nfs/dbraw/zinc/05/60/23/635056023.db2.gz IORSFTREPMCHAA-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841088962 635119737 /nfs/dbraw/zinc/11/97/37/635119737.db2.gz HBUXUHJSKRXALD-AWEZNQCLSA-N 2 1 294.826 3.113 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841087477 635119995 /nfs/dbraw/zinc/11/99/95/635119995.db2.gz OFOZKAGJPBCRTR-VQIMIIECSA-N 2 1 295.430 3.199 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878047472 635336948 /nfs/dbraw/zinc/33/69/48/635336948.db2.gz HQYFNAQZSRWIPB-KRWDZBQOSA-N 2 1 296.499 3.244 20 0 CGADMP FC1(F)CCC[C@H]1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878123760 635368171 /nfs/dbraw/zinc/36/81/71/635368171.db2.gz FGLPXKYZOGOYPV-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP COc1ccc2c(c1)CCC[N@H+](CCCCCCC[NH3+])C2 ZINC000842471904 635375496 /nfs/dbraw/zinc/37/54/96/635375496.db2.gz FYGSOJNKZHDTJQ-UHFFFAOYSA-N 2 1 290.451 3.353 20 0 CGADMP C=C/C=C\CC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000878513199 635537468 /nfs/dbraw/zinc/53/74/68/635537468.db2.gz XQMJPSIVOUMPFC-SREVYHEPSA-N 2 1 261.413 3.290 20 0 CGADMP C=C/C=C\CC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000878513199 635537474 /nfs/dbraw/zinc/53/74/74/635537474.db2.gz XQMJPSIVOUMPFC-SREVYHEPSA-N 2 1 261.413 3.290 20 0 CGADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)cc2cccnc12 ZINC000843055103 635551780 /nfs/dbraw/zinc/55/17/80/635551780.db2.gz RCSBSXZMKGNFLU-UHFFFAOYSA-N 2 1 283.419 3.245 20 0 CGADMP CC(C)[N@@H+](CCCCCCC[NH3+])Cc1ccccn1 ZINC000844222060 635833026 /nfs/dbraw/zinc/83/30/26/635833026.db2.gz RYLBBPVAQDWZJT-UHFFFAOYSA-N 2 1 263.429 3.201 20 0 CGADMP Cc1csc([C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000880009361 635897714 /nfs/dbraw/zinc/89/77/14/635897714.db2.gz NBMCYMMCNHLRTG-GJZGRUSLSA-N 2 1 293.480 3.115 20 0 CGADMP Cc1csc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000880009361 635897715 /nfs/dbraw/zinc/89/77/15/635897715.db2.gz NBMCYMMCNHLRTG-GJZGRUSLSA-N 2 1 293.480 3.115 20 0 CGADMP Cc1csc([C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000880009361 635897717 /nfs/dbraw/zinc/89/77/17/635897717.db2.gz NBMCYMMCNHLRTG-GJZGRUSLSA-N 2 1 293.480 3.115 20 0 CGADMP CC(C)(CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880201029 635935394 /nfs/dbraw/zinc/93/53/94/635935394.db2.gz GDZKWUASCGDUMK-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880201029 635935397 /nfs/dbraw/zinc/93/53/97/635935397.db2.gz GDZKWUASCGDUMK-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccnc(Cl)c1 ZINC000844922327 635984833 /nfs/dbraw/zinc/98/48/33/635984833.db2.gz AVUQUFPBRKJUDE-JTQLQIEISA-N 2 1 293.773 3.184 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccsc1 ZINC000880517361 636013707 /nfs/dbraw/zinc/01/37/07/636013707.db2.gz OJJSPPKMWQAVIV-UHFFFAOYSA-N 2 1 266.454 3.446 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)C[C@H]1CCOC1)C1CCCCC1 ZINC000846021627 636130663 /nfs/dbraw/zinc/13/06/63/636130663.db2.gz FFAYKHGHCPGQSH-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000846217847 636161034 /nfs/dbraw/zinc/16/10/34/636161034.db2.gz FPSWZNIAYKEVMD-INIZCTEOSA-N 2 1 262.397 3.048 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000846218760 636162349 /nfs/dbraw/zinc/16/23/49/636162349.db2.gz UPMVDNSERMTVAH-AWEZNQCLSA-N 2 1 252.427 3.404 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])[C@H](C)c1cccc(O)c1 ZINC000846218881 636162414 /nfs/dbraw/zinc/16/24/14/636162414.db2.gz XKVSIDWPZQJXNB-CQSZACIVSA-N 2 1 264.413 3.294 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCCCC[NH3+])CCC2 ZINC000846220287 636163253 /nfs/dbraw/zinc/16/32/53/636163253.db2.gz NJJGLGVCVWLBGV-AWEZNQCLSA-N 2 1 281.469 3.280 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883017643 636507908 /nfs/dbraw/zinc/50/79/08/636507908.db2.gz ULFPTTXDRYSDIK-MUJYYYPQSA-N 2 1 261.413 3.140 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883186525 636572594 /nfs/dbraw/zinc/57/25/94/636572594.db2.gz UKCPTQKWSTYEBO-HIFRSBDPSA-N 2 1 261.413 3.140 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@@H]2CCC[C@@H]21 ZINC000883274588 636647296 /nfs/dbraw/zinc/64/72/96/636647296.db2.gz PDWVKZQRIJPAKJ-AJNGGQMLSA-N 2 1 286.410 3.274 20 0 CGADMP CC[N@@H+](CCNC(=[NH2+])N[C@@H](C)CCCC(C)C)C(C)C ZINC000849073965 636739241 /nfs/dbraw/zinc/73/92/41/636739241.db2.gz SFUDAHRTJCDPQE-HNNXBMFYSA-N 2 1 284.492 3.045 20 0 CGADMP CSc1ccccc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459152 636761818 /nfs/dbraw/zinc/76/18/18/636761818.db2.gz LVJPRUNAWLVDFG-UHFFFAOYSA-N 2 1 276.449 3.127 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459152 636761825 /nfs/dbraw/zinc/76/18/25/636761825.db2.gz LVJPRUNAWLVDFG-UHFFFAOYSA-N 2 1 276.449 3.127 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437368 637062823 /nfs/dbraw/zinc/06/28/23/637062823.db2.gz LVDFAFOHRQUOOW-KEYYUXOJSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437368 637062826 /nfs/dbraw/zinc/06/28/26/637062826.db2.gz LVDFAFOHRQUOOW-KEYYUXOJSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCO2 ZINC000850541116 637114534 /nfs/dbraw/zinc/11/45/34/637114534.db2.gz RVXCHMFFHUUKCB-WMLDXEAASA-N 2 1 288.435 3.147 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cncc2ccccc21 ZINC000135369907 637124072 /nfs/dbraw/zinc/12/40/72/637124072.db2.gz HAYXEQUEHRGJFD-UHFFFAOYSA-N 2 1 271.408 3.056 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000885923147 637312864 /nfs/dbraw/zinc/31/28/64/637312864.db2.gz RHYZEVFNNTYSNM-AWEZNQCLSA-N 2 1 295.858 3.337 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCc2cccnc21 ZINC000886503765 637542874 /nfs/dbraw/zinc/54/28/74/637542874.db2.gz DHOCKTRDCPKIBL-WBVHZDCISA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886505232 637544696 /nfs/dbraw/zinc/54/46/96/637544696.db2.gz QSOPZISRPMNHKA-INMHGKMJSA-N 2 1 287.451 3.027 20 0 CGADMP C=C/C=C\CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659536 637637724 /nfs/dbraw/zinc/63/77/24/637637724.db2.gz PCTYJMSFEUFBDD-WAYWQWQTSA-N 2 1 259.397 3.338 20 0 CGADMP Fc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000886793808 637692423 /nfs/dbraw/zinc/69/24/23/637692423.db2.gz UMFZGLFUOFRWEU-GOSISDBHSA-N 2 1 288.410 3.277 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000852743854 637703786 /nfs/dbraw/zinc/70/37/86/637703786.db2.gz MCQIEWGRVKCUQO-LBPRGKRZSA-N 2 1 284.856 3.103 20 0 CGADMP Cc1csc(C[C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n1 ZINC000886858013 637715185 /nfs/dbraw/zinc/71/51/85/637715185.db2.gz JMXQBJKXNFBLNS-OAHLLOKOSA-N 2 1 295.496 3.225 20 0 CGADMP Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1F ZINC000113293034 638182423 /nfs/dbraw/zinc/18/24/23/638182423.db2.gz LQKSZQJHEGOUEM-UHFFFAOYSA-N 2 1 264.388 3.100 20 0 CGADMP C[N@H+](CC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C1CCCCC1 ZINC000924803507 638407263 /nfs/dbraw/zinc/40/72/63/638407263.db2.gz SILPVSWGBYLSAD-AEFFLSMTSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C1CCCCC1 ZINC000924803507 638407266 /nfs/dbraw/zinc/40/72/66/638407266.db2.gz SILPVSWGBYLSAD-AEFFLSMTSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000925133537 638457336 /nfs/dbraw/zinc/45/73/36/638457336.db2.gz LXOZLLLBNSVTST-INIZCTEOSA-N 2 1 291.439 3.053 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cs1 ZINC000925563860 638530203 /nfs/dbraw/zinc/53/02/03/638530203.db2.gz FXTABWXZJUHYCB-AWEZNQCLSA-N 2 1 293.480 3.073 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925622241 638547786 /nfs/dbraw/zinc/54/77/86/638547786.db2.gz MNRHPVDULVCNKN-IWCVFHTOSA-N 2 1 290.451 3.401 20 0 CGADMP C[C@H]([NH3+])[C@@H](NCCC[C@H]1CCCCO1)c1ccccc1 ZINC000925638447 638552682 /nfs/dbraw/zinc/55/26/82/638552682.db2.gz BWTFGLVWWAAGKG-USXIJHARSA-N 2 1 276.424 3.014 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccccc1 ZINC000925638447 638552689 /nfs/dbraw/zinc/55/26/89/638552689.db2.gz BWTFGLVWWAAGKG-USXIJHARSA-N 2 1 276.424 3.014 20 0 CGADMP Cc1cccnc1CCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925683429 638568596 /nfs/dbraw/zinc/56/85/96/638568596.db2.gz QFYDWYXGEYLKBL-YJBOKZPZSA-N 2 1 283.419 3.001 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747381 638594488 /nfs/dbraw/zinc/59/44/88/638594488.db2.gz HLQXHJZSHDYUTD-WCQYABFASA-N 2 1 281.469 3.175 20 0 CGADMP Clc1ccc2c(n1)[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CC2 ZINC000857914113 638602985 /nfs/dbraw/zinc/60/29/85/638602985.db2.gz QKPGDMNLVVKTKF-CQSZACIVSA-N 2 1 298.777 3.160 20 0 CGADMP CCCN1CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925817043 638620929 /nfs/dbraw/zinc/62/09/29/638620929.db2.gz MMJRWXPWKVOQCS-UHFFFAOYSA-N 2 1 295.515 3.010 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(F)c1 ZINC000925840552 638629609 /nfs/dbraw/zinc/62/96/09/638629609.db2.gz ITSDKXDOGQTVAQ-JCURWCKSSA-N 2 1 292.398 3.017 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872671 638638278 /nfs/dbraw/zinc/63/82/78/638638278.db2.gz WZABUQMEEBXHJH-HYVNUMGLSA-N 2 1 287.451 3.359 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1(C)C ZINC000858172994 638649448 /nfs/dbraw/zinc/64/94/48/638649448.db2.gz NMBDADBLHGSRNQ-CMPLNLGQSA-N 2 1 279.255 3.033 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc(C)n1 ZINC000926603003 638790789 /nfs/dbraw/zinc/79/07/89/638790789.db2.gz ZWHCGOMRFALPQV-UHFFFAOYSA-N 2 1 289.467 3.299 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926753489 638807107 /nfs/dbraw/zinc/80/71/07/638807107.db2.gz IEPDLFQPXWPNPH-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926753489 638807108 /nfs/dbraw/zinc/80/71/08/638807108.db2.gz IEPDLFQPXWPNPH-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926807016 638814196 /nfs/dbraw/zinc/81/41/96/638814196.db2.gz JZEAEKPOJJNNAT-HYVNUMGLSA-N 2 1 288.435 3.363 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926807016 638814197 /nfs/dbraw/zinc/81/41/97/638814197.db2.gz JZEAEKPOJJNNAT-HYVNUMGLSA-N 2 1 288.435 3.363 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3CF)CC[C@H]21 ZINC000929846164 638956472 /nfs/dbraw/zinc/95/64/72/638956472.db2.gz HCNPDWDVZAABMO-DLBZAZTESA-N 2 1 276.399 3.072 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1Cc2ccccc2C1 ZINC000035657884 639023655 /nfs/dbraw/zinc/02/36/55/639023655.db2.gz QMZOYHINFVFZRF-OAHLLOKOSA-N 2 1 272.436 3.008 20 0 CGADMP Cc1cccc(CC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000859213653 639110546 /nfs/dbraw/zinc/11/05/46/639110546.db2.gz YFGJNAYVWSTHBR-UHFFFAOYSA-N 2 1 297.446 3.126 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCc2ccncc2)cc1 ZINC000859213681 639110590 /nfs/dbraw/zinc/11/05/90/639110590.db2.gz ZBOSCPVXHBFQES-UHFFFAOYSA-N 2 1 297.446 3.208 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ncccc3Cl)C2)CC1 ZINC000859292386 639124873 /nfs/dbraw/zinc/12/48/73/639124873.db2.gz ZCERVIRGRYBBCI-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000931355561 639139291 /nfs/dbraw/zinc/13/92/91/639139291.db2.gz RLBITVNIWOLJDS-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP FCCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548591 639459661 /nfs/dbraw/zinc/45/96/61/639459661.db2.gz XKXHQJHRUWDFLN-UHFFFAOYSA-N 2 1 290.426 3.433 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCCO)C1 ZINC000246771825 640692862 /nfs/dbraw/zinc/69/28/62/640692862.db2.gz YWBBWQSXGMDZLV-ROUUACIJSA-N 2 1 296.499 3.126 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000246771825 640692867 /nfs/dbraw/zinc/69/28/67/640692867.db2.gz YWBBWQSXGMDZLV-ROUUACIJSA-N 2 1 296.499 3.126 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000246771825 640692871 /nfs/dbraw/zinc/69/28/71/640692871.db2.gz YWBBWQSXGMDZLV-ROUUACIJSA-N 2 1 296.499 3.126 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)o1 ZINC000093683709 640780100 /nfs/dbraw/zinc/78/01/00/640780100.db2.gz PESXFFGOTNNPQA-INIZCTEOSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)o1 ZINC000093683709 640780105 /nfs/dbraw/zinc/78/01/05/640780105.db2.gz PESXFFGOTNNPQA-INIZCTEOSA-N 2 1 276.424 3.204 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000251694369 640830568 /nfs/dbraw/zinc/83/05/68/640830568.db2.gz HIIVZAABWVXPSV-OZSLIKBDSA-N 2 1 264.457 3.418 20 0 CGADMP COc1ccc(C)[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158264380 805930893 /nfs/dbraw/zinc/93/08/93/805930893.db2.gz BGRKXBNSNUDPPY-CXAGYDPISA-N 2 1 291.439 3.354 20 0 CGADMP CCc1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001158266849 805932921 /nfs/dbraw/zinc/93/29/21/805932921.db2.gz UTIIPRDIUSINRD-WMLDXEAASA-N 2 1 290.455 3.303 20 0 CGADMP COc1ccc2cc[nH+]c(NC(C)(C)CC[NH+](C)C)c2c1 ZINC001158760671 805999473 /nfs/dbraw/zinc/99/94/73/805999473.db2.gz IQIYSGFUFQCBHU-UHFFFAOYSA-N 2 1 287.407 3.386 20 0 CGADMP CCCCCC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001257358255 807121648 /nfs/dbraw/zinc/12/16/48/807121648.db2.gz YIMKQNHAPJJIKF-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1cccc(C)c1C ZINC001253215104 806182365 /nfs/dbraw/zinc/18/23/65/806182365.db2.gz VAJDQAQZAPRKKZ-FUHWJXTLSA-N 2 1 292.467 3.047 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1cccc(C)c1C ZINC001253215106 806182577 /nfs/dbraw/zinc/18/25/77/806182577.db2.gz VAJDQAQZAPRKKZ-SJLPKXTDSA-N 2 1 292.467 3.047 20 0 CGADMP CC(C)c1ccc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]c1 ZINC001160744252 806298941 /nfs/dbraw/zinc/29/89/41/806298941.db2.gz ZDWJRWUVQUMIDJ-VXGBXAGGSA-N 2 1 287.329 3.157 20 0 CGADMP c1cc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]c2c1CCC2 ZINC001161233469 806360215 /nfs/dbraw/zinc/36/02/15/806360215.db2.gz QTSXTCMLDBSWOU-UHFFFAOYSA-N 2 1 299.462 3.494 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC001254216859 806367360 /nfs/dbraw/zinc/36/73/60/806367360.db2.gz NXNACMNDMKBXNO-GXTWGEPZSA-N 2 1 274.399 3.273 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2c(F)cccc2Cl)CC1 ZINC001254498297 806419658 /nfs/dbraw/zinc/41/96/58/806419658.db2.gz UTVHFMFNNCCOMT-GFCCVEGCSA-N 2 1 284.806 3.096 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)CC1 ZINC001254500544 806420960 /nfs/dbraw/zinc/42/09/60/806420960.db2.gz JUMFZOXKXMHGHH-INIZCTEOSA-N 2 1 258.409 3.138 20 0 CGADMP C[N@H+]1CCC[C@H](NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC001254499113 806421546 /nfs/dbraw/zinc/42/15/46/806421546.db2.gz ANNSAQJTKITCDV-KUNBBXKYSA-N 2 1 289.467 3.254 20 0 CGADMP COc1ccc(C(C)(C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254504266 806423268 /nfs/dbraw/zinc/42/32/68/806423268.db2.gz SUVNRPYWAHFKTA-HNNXBMFYSA-N 2 1 276.424 3.004 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001254508466 806427017 /nfs/dbraw/zinc/42/70/17/806427017.db2.gz JFZJPLULLITLHW-INIZCTEOSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccn1 ZINC001254508617 806428162 /nfs/dbraw/zinc/42/81/62/806428162.db2.gz KLDKZYBCVSDROH-DOTOQJQBSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccn1 ZINC001254508617 806428166 /nfs/dbraw/zinc/42/81/66/806428166.db2.gz KLDKZYBCVSDROH-DOTOQJQBSA-N 2 1 275.440 3.243 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254509066 806428954 /nfs/dbraw/zinc/42/89/54/806428954.db2.gz VDDTYPVKMWTSAB-WBVHZDCISA-N 2 1 260.425 3.438 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1C ZINC001254513549 806435129 /nfs/dbraw/zinc/43/51/29/806435129.db2.gz DCXPREJNRKNUDQ-HZPDHXFCSA-N 2 1 260.425 3.438 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254516017 806436098 /nfs/dbraw/zinc/43/60/98/806436098.db2.gz IOZVKMGMAIVNCG-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254516017 806436103 /nfs/dbraw/zinc/43/61/03/806436103.db2.gz IOZVKMGMAIVNCG-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254516017 806436106 /nfs/dbraw/zinc/43/61/06/806436106.db2.gz IOZVKMGMAIVNCG-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254525153 806439596 /nfs/dbraw/zinc/43/95/96/806439596.db2.gz GRWUMJPNKPTKGB-ZBFHGGJFSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254525153 806439600 /nfs/dbraw/zinc/43/96/00/806439600.db2.gz GRWUMJPNKPTKGB-ZBFHGGJFSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254525153 806439603 /nfs/dbraw/zinc/43/96/03/806439603.db2.gz GRWUMJPNKPTKGB-ZBFHGGJFSA-N 2 1 276.424 3.172 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)c1 ZINC001254524371 806440355 /nfs/dbraw/zinc/44/03/55/806440355.db2.gz BBYPSSGYPISNOW-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254524371 806440361 /nfs/dbraw/zinc/44/03/61/806440361.db2.gz BBYPSSGYPISNOW-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254524371 806440364 /nfs/dbraw/zinc/44/03/64/806440364.db2.gz BBYPSSGYPISNOW-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254526943 806441840 /nfs/dbraw/zinc/44/18/40/806441840.db2.gz URQYEYRHOGNRLY-PMPSAXMXSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254526943 806441844 /nfs/dbraw/zinc/44/18/44/806441844.db2.gz URQYEYRHOGNRLY-PMPSAXMXSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254526943 806441847 /nfs/dbraw/zinc/44/18/47/806441847.db2.gz URQYEYRHOGNRLY-PMPSAXMXSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254526943 806441853 /nfs/dbraw/zinc/44/18/53/806441853.db2.gz URQYEYRHOGNRLY-PMPSAXMXSA-N 2 1 250.430 3.125 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254527418 806443396 /nfs/dbraw/zinc/44/33/96/806443396.db2.gz XZNMKJZVEWUOQX-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254527418 806443398 /nfs/dbraw/zinc/44/33/98/806443398.db2.gz XZNMKJZVEWUOQX-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254527418 806443403 /nfs/dbraw/zinc/44/34/03/806443403.db2.gz XZNMKJZVEWUOQX-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254530606 806444567 /nfs/dbraw/zinc/44/45/67/806444567.db2.gz ZJUXUPYPJYIALJ-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@H](C)[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254530606 806444576 /nfs/dbraw/zinc/44/45/76/806444576.db2.gz ZJUXUPYPJYIALJ-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@H](C)[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530606 806444582 /nfs/dbraw/zinc/44/45/82/806444582.db2.gz ZJUXUPYPJYIALJ-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP Cc1cc[nH+]c2cc(N[C@@H]3CCC[C@@H]([NH3+])C3)ccc12 ZINC001162400099 806576361 /nfs/dbraw/zinc/57/63/61/806576361.db2.gz GCFIMCCOKOAJMS-CHWSQXEVSA-N 2 1 255.365 3.225 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382157 806629648 /nfs/dbraw/zinc/62/96/48/806629648.db2.gz SIUPZYKUJIXARS-DJIMGWMZSA-N 2 1 258.409 3.039 20 0 CGADMP CC[C@H](COC)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388986 806630558 /nfs/dbraw/zinc/63/05/58/806630558.db2.gz BADGOXNCQAATCS-QZTJIDSGSA-N 2 1 290.451 3.056 20 0 CGADMP [NH3+]Cc1ccn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255394570 806632503 /nfs/dbraw/zinc/63/25/03/806632503.db2.gz VYZZQNBJXCBSAT-SFHVURJKSA-N 2 1 283.419 3.174 20 0 CGADMP F[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403865 806632520 /nfs/dbraw/zinc/63/25/20/806632520.db2.gz QMSLGFCWLFESOA-MSOLQXFVSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403865 806632524 /nfs/dbraw/zinc/63/25/24/806632524.db2.gz QMSLGFCWLFESOA-MSOLQXFVSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403865 806632529 /nfs/dbraw/zinc/63/25/29/806632529.db2.gz QMSLGFCWLFESOA-MSOLQXFVSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403865 806632535 /nfs/dbraw/zinc/63/25/35/806632535.db2.gz QMSLGFCWLFESOA-MSOLQXFVSA-N 2 1 290.426 3.475 20 0 CGADMP Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@H]1CC[N@H+](C)C1 ZINC001255444046 806640715 /nfs/dbraw/zinc/64/07/15/806640715.db2.gz HHEQXNUXMLFGPX-INIZCTEOSA-N 2 1 297.446 3.293 20 0 CGADMP COC1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001255463529 806645456 /nfs/dbraw/zinc/64/54/56/806645456.db2.gz PIANKXPBPAYVFZ-SAGYGOJTSA-N 2 1 294.483 3.283 20 0 CGADMP COC1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001255463529 806645458 /nfs/dbraw/zinc/64/54/58/806645458.db2.gz PIANKXPBPAYVFZ-SAGYGOJTSA-N 2 1 294.483 3.283 20 0 CGADMP COC1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001255463529 806645461 /nfs/dbraw/zinc/64/54/61/806645461.db2.gz PIANKXPBPAYVFZ-SAGYGOJTSA-N 2 1 294.483 3.283 20 0 CGADMP COc1cc(NC2CC3(C2)CCC[NH2+]C3)[nH+]c2ccccc21 ZINC001162982100 806689255 /nfs/dbraw/zinc/68/92/55/806689255.db2.gz MYUOWMVHBALOOR-UHFFFAOYSA-N 2 1 297.402 3.188 20 0 CGADMP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001255644882 806691904 /nfs/dbraw/zinc/69/19/04/806691904.db2.gz WBVVNEAXMYXILR-LBPRGKRZSA-N 2 1 286.341 3.277 20 0 CGADMP Cc1ncc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)s1 ZINC000037865180 798876819 /nfs/dbraw/zinc/87/68/19/798876819.db2.gz HBVDFQUGPWTOKF-UHFFFAOYSA-N 2 1 281.469 3.196 20 0 CGADMP Cc1ncc(C[NH2+]CCC[N@H+](C)C2CCCCC2)s1 ZINC000037865180 798876824 /nfs/dbraw/zinc/87/68/24/798876824.db2.gz HBVDFQUGPWTOKF-UHFFFAOYSA-N 2 1 281.469 3.196 20 0 CGADMP CCC[NH+]1CCC(NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000037901081 798878911 /nfs/dbraw/zinc/87/89/11/798878911.db2.gz ULESBGABEGFERR-UHFFFAOYSA-N 2 1 295.515 3.105 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccccc1F)C[NH+]1CCCCC1 ZINC000037997502 798882996 /nfs/dbraw/zinc/88/29/96/798882996.db2.gz JYAABDIIYDNSOM-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP CCCOc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000037996798 798883795 /nfs/dbraw/zinc/88/37/95/798883795.db2.gz JMWGNVCIUQCUIL-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000083450563 798939549 /nfs/dbraw/zinc/93/95/49/798939549.db2.gz ONWOPLNLDGLVMP-ZIAGYGMSSA-N 2 1 295.858 3.193 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2c(F)cccc2C(F)(F)F)CC1 ZINC000084946742 798941310 /nfs/dbraw/zinc/94/13/10/798941310.db2.gz MJYVSLXTAYTDEK-UHFFFAOYSA-N 2 1 290.304 3.015 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522178 798969073 /nfs/dbraw/zinc/96/90/73/798969073.db2.gz BPPDTQUSRFVMSC-DZGCQCFKSA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC000094901357 798972284 /nfs/dbraw/zinc/97/22/84/798972284.db2.gz KRDOVFGVNOUFMQ-QAPCUYQASA-N 2 1 274.452 3.444 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(C)C)C1 ZINC000098173301 798975342 /nfs/dbraw/zinc/97/53/42/798975342.db2.gz CETGKKXGMHKITI-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(C)C)C1 ZINC000098173301 798975347 /nfs/dbraw/zinc/97/53/47/798975347.db2.gz CETGKKXGMHKITI-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP COc1ccc2[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)cc(C)c2c1 ZINC000146294774 799048411 /nfs/dbraw/zinc/04/84/11/799048411.db2.gz BCHUCHDNBMTTSS-QWHCGFSZSA-N 2 1 285.391 3.234 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC000300518531 799205126 /nfs/dbraw/zinc/20/51/26/799205126.db2.gz NFFCWXGJXBGGIP-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000378681019 799342821 /nfs/dbraw/zinc/34/28/21/799342821.db2.gz WFEZQDLJXYQZPD-ZDUSSCGKSA-N 2 1 272.314 3.019 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC2CCC1CC2)C1CCCC1 ZINC000382233573 799393971 /nfs/dbraw/zinc/39/39/71/799393971.db2.gz HKCGVGPHSIGHNO-ZBCRRDGASA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC2CCC1CC2)C1CCCC1 ZINC000382233573 799393975 /nfs/dbraw/zinc/39/39/75/799393975.db2.gz HKCGVGPHSIGHNO-ZBCRRDGASA-N 2 1 250.430 3.029 20 0 CGADMP CCC(CC)(C[NH2+]C1CC[NH+](C2CC2)CC1)SC ZINC000385195357 799423883 /nfs/dbraw/zinc/42/38/83/799423883.db2.gz QNNQPEIAXBYWJL-UHFFFAOYSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H]1CCC[C@](C[NH2+]CC2(C)CCC2)([NH+](C)C)C1 ZINC000386751318 799439918 /nfs/dbraw/zinc/43/99/18/799439918.db2.gz FJDNRMCMHJLXFS-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000387305204 799445845 /nfs/dbraw/zinc/44/58/45/799445845.db2.gz ZFKCKMROPWOYBL-GXTWGEPZSA-N 2 1 270.367 3.270 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000388403828 799452991 /nfs/dbraw/zinc/45/29/91/799452991.db2.gz CDJVZAOWUJMUHP-CQSZACIVSA-N 2 1 258.409 3.125 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000388524614 799453810 /nfs/dbraw/zinc/45/38/10/799453810.db2.gz VBRBMOPHMOINCX-GFCCVEGCSA-N 2 1 277.799 3.066 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000389096996 799459898 /nfs/dbraw/zinc/45/98/98/799459898.db2.gz CPJWZLXBUPYHPW-IYBDPMFKSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000394235716 799495541 /nfs/dbraw/zinc/49/55/41/799495541.db2.gz UVQDRPXVFJHVHT-ZDUSSCGKSA-N 2 1 292.854 3.487 20 0 CGADMP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687968035 799742561 /nfs/dbraw/zinc/74/25/61/799742561.db2.gz GJJGVRBNFVCMMC-YPMHNXCESA-N 2 1 264.438 3.014 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1CCC[NH3+] ZINC000693459687 799810395 /nfs/dbraw/zinc/81/03/95/799810395.db2.gz RBSSLRJNUVTTMI-TZMCWYRMSA-N 2 1 281.831 3.074 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000699304950 799859825 /nfs/dbraw/zinc/85/98/25/799859825.db2.gz JPXDPXVGCNSLTQ-AGUYFDCRSA-N 2 1 264.438 3.019 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCCCCC2)[C@H](C)C1 ZINC001255886960 806783185 /nfs/dbraw/zinc/78/31/85/806783185.db2.gz JWDUAPAZHVYJLP-GDBMZVCRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700817571 799879859 /nfs/dbraw/zinc/87/98/59/799879859.db2.gz VQXWWLJRLUUMJN-HOCLYGCPSA-N 2 1 278.415 3.078 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000700823801 799882283 /nfs/dbraw/zinc/88/22/83/799882283.db2.gz SIUOYUJEENAMEZ-HZSPNIEDSA-N 2 1 292.389 3.429 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001255944163 806791750 /nfs/dbraw/zinc/79/17/50/806791750.db2.gz SEFMUUAUFXFCCT-FGTMMUONSA-N 2 1 297.531 3.064 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001255944163 806791753 /nfs/dbraw/zinc/79/17/53/806791753.db2.gz SEFMUUAUFXFCCT-FGTMMUONSA-N 3 1 297.531 3.064 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001255944163 806791754 /nfs/dbraw/zinc/79/17/54/806791754.db2.gz SEFMUUAUFXFCCT-FGTMMUONSA-N 3 1 297.531 3.064 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000708235436 799983126 /nfs/dbraw/zinc/98/31/26/799983126.db2.gz GBRKOWWPKWFPRS-UONOGXRCSA-N 2 1 274.399 3.261 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000708235436 799983131 /nfs/dbraw/zinc/98/31/31/799983131.db2.gz GBRKOWWPKWFPRS-UONOGXRCSA-N 2 1 274.399 3.261 20 0 CGADMP C1C[N@H+]([C@H]2CCC[NH2+]CC2)C[C@@H]1C1CCCCC1 ZINC000708837740 799996299 /nfs/dbraw/zinc/99/62/99/799996299.db2.gz QILYVBUSGVMSKR-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC001255953925 806796854 /nfs/dbraw/zinc/79/68/54/806796854.db2.gz QNKDUQUQNHBEJG-OAHLLOKOSA-N 2 1 290.451 3.394 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)cs1 ZINC000710714548 800038182 /nfs/dbraw/zinc/03/81/82/800038182.db2.gz RDMLHDCITQGAJN-UHFFFAOYSA-N 2 1 260.834 3.352 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCCCC[NH3+] ZINC000710828182 800040364 /nfs/dbraw/zinc/04/03/64/800040364.db2.gz HAFWQMQHFXMPHG-GFCCVEGCSA-N 2 1 270.367 3.477 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001255958197 806799756 /nfs/dbraw/zinc/79/97/56/806799756.db2.gz ZKYLMLQIAPYRQN-JYJNAYRXSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001255964069 806801561 /nfs/dbraw/zinc/80/15/61/806801561.db2.gz OBUNJYFWDULQOD-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001255964069 806801568 /nfs/dbraw/zinc/80/15/68/806801568.db2.gz OBUNJYFWDULQOD-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000714764912 800128537 /nfs/dbraw/zinc/12/85/37/800128537.db2.gz LNWZZAVUVXEQIQ-UHFFFAOYSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@@H](F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716654749 800177476 /nfs/dbraw/zinc/17/74/76/800177476.db2.gz KTRMPGVXUGCKJO-UBDQQSCGSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000717464978 800202536 /nfs/dbraw/zinc/20/25/36/800202536.db2.gz MZSNSHHTKGYVIR-FPCVCCKLSA-N 2 1 264.457 3.418 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000722128950 800309987 /nfs/dbraw/zinc/30/99/87/800309987.db2.gz HCUDTXJEPQIIGV-UHFFFAOYSA-N 2 1 287.234 3.220 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723563942 800330086 /nfs/dbraw/zinc/33/00/86/800330086.db2.gz BQACMUXEYAXBAI-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000824969672 800473086 /nfs/dbraw/zinc/47/30/86/800473086.db2.gz HTJHWKODCNZENV-RWMBFGLXSA-N 2 1 293.282 3.280 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](c2ccccc2F)C2CCC2)CC1 ZINC001256197770 806846979 /nfs/dbraw/zinc/84/69/79/806846979.db2.gz QWYRWWXOXOXZFR-QGZVFWFLSA-N 2 1 276.399 3.351 20 0 CGADMP CN1CCC([N@@H+](Cc2ccccn2)C2CCCCC2)CC1 ZINC001256208819 806848424 /nfs/dbraw/zinc/84/84/24/806848424.db2.gz PLXUXODHUXQVSU-UHFFFAOYSA-N 2 1 287.451 3.311 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522192 806910049 /nfs/dbraw/zinc/91/00/49/806910049.db2.gz IKKMFYXLNXLYJG-YQFWSFKMSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522192 806910055 /nfs/dbraw/zinc/91/00/55/806910055.db2.gz IKKMFYXLNXLYJG-YQFWSFKMSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H]1CC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536300 806910909 /nfs/dbraw/zinc/91/09/09/806910909.db2.gz CRLINWFVRGHIHY-INMHGKMJSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1CC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536300 806910912 /nfs/dbraw/zinc/91/09/12/806910912.db2.gz CRLINWFVRGHIHY-INMHGKMJSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1CC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536300 806910916 /nfs/dbraw/zinc/91/09/16/806910916.db2.gz CRLINWFVRGHIHY-INMHGKMJSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1CC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536300 806910918 /nfs/dbraw/zinc/91/09/18/806910918.db2.gz CRLINWFVRGHIHY-INMHGKMJSA-N 2 1 258.409 3.134 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001256569833 806919919 /nfs/dbraw/zinc/91/99/19/806919919.db2.gz PTYPLDUGPJTMLT-INIZCTEOSA-N 2 1 270.436 3.463 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001256569833 806919926 /nfs/dbraw/zinc/91/99/26/806919926.db2.gz PTYPLDUGPJTMLT-INIZCTEOSA-N 2 1 270.436 3.463 20 0 CGADMP Cc1ccc2c(c1)c(CC[NH3+])cn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614171 806925974 /nfs/dbraw/zinc/92/59/74/806925974.db2.gz DDKZTAZXCNQTQZ-SJPCQFCGSA-N 2 1 297.446 3.249 20 0 CGADMP CC(C)[PH+](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001256621117 806929013 /nfs/dbraw/zinc/92/90/13/806929013.db2.gz JXPGPHLITQQKQE-MQVJKMGUSA-N 3 1 284.428 3.500 20 0 CGADMP CC(C)P(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC001256621117 806929015 /nfs/dbraw/zinc/92/90/15/806929015.db2.gz JXPGPHLITQQKQE-MQVJKMGUSA-N 2 1 284.428 3.500 20 0 CGADMP CC(C)P(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001256621117 806929021 /nfs/dbraw/zinc/92/90/21/806929021.db2.gz JXPGPHLITQQKQE-MQVJKMGUSA-N 2 1 284.428 3.500 20 0 CGADMP CC[NH+](CC)C1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC001116876942 802423842 /nfs/dbraw/zinc/42/38/42/802423842.db2.gz GYXLCTHUVMOPIB-UHFFFAOYSA-N 2 1 289.467 3.129 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC001118122190 802526741 /nfs/dbraw/zinc/52/67/41/802526741.db2.gz QQJRVAHTKMHBTO-SMDDNHRTSA-N 2 1 282.815 3.141 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC001118122056 802527116 /nfs/dbraw/zinc/52/71/16/802527116.db2.gz NSJUKKXSHYWCBS-ZDUSSCGKSA-N 2 1 266.454 3.447 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)ccc2cn1 ZINC001118180785 802534268 /nfs/dbraw/zinc/53/42/68/802534268.db2.gz NQCZGHPASHYLIL-UHFFFAOYSA-N 2 1 295.430 3.200 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001120072543 802732973 /nfs/dbraw/zinc/73/29/73/802732973.db2.gz WSJWPJBCWSNJCT-ZOBUZTSGSA-N 2 1 290.426 3.296 20 0 CGADMP FC1CCC([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256894886 807000833 /nfs/dbraw/zinc/00/08/33/807000833.db2.gz NPAVAKLJOJEXMW-YMAMQOFZSA-N 2 1 268.420 3.264 20 0 CGADMP FC1CCC([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256894886 807000837 /nfs/dbraw/zinc/00/08/37/807000837.db2.gz NPAVAKLJOJEXMW-YMAMQOFZSA-N 2 1 268.420 3.264 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@H]1C[NH3+] ZINC001205136333 812883109 /nfs/dbraw/zinc/88/31/09/812883109.db2.gz ZVASWJMSJKOVNH-UONOGXRCSA-N 2 1 299.462 3.492 20 0 CGADMP CCSc1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206812214 813443438 /nfs/dbraw/zinc/44/34/38/813443438.db2.gz YFAHOHBDPCYBRQ-KGLIPLIRSA-N 2 1 278.465 3.358 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206809388 813443492 /nfs/dbraw/zinc/44/34/92/813443492.db2.gz LOYKOFNFAYSEAS-CABCVRRESA-N 2 1 260.425 3.117 20 0 CGADMP CCC[N@@H+](CC(C)C)CC1(C[NH+](C)C)CCCC1 ZINC001208187427 813735226 /nfs/dbraw/zinc/73/52/26/813735226.db2.gz KQJKJIOOZONZJV-UHFFFAOYSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@H]1CCCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208184884 813735653 /nfs/dbraw/zinc/73/56/53/813735653.db2.gz RAIOBMCDBYTBGQ-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(C)ccc12 ZINC001136975982 803666336 /nfs/dbraw/zinc/66/63/36/803666336.db2.gz WBDXKCMDZLNRJR-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)[nH]1 ZINC001137325404 803715361 /nfs/dbraw/zinc/71/53/61/803715361.db2.gz CPSTYPLSSQBXEC-UHFFFAOYSA-N 2 1 298.434 3.074 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2ccc(O)c3ccccc23)CC1 ZINC001138063909 803846375 /nfs/dbraw/zinc/84/63/75/803846375.db2.gz MTOYKKFKUACFCE-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2ccc(O)c3ccccc23)CC1 ZINC001138063909 803846385 /nfs/dbraw/zinc/84/63/85/803846385.db2.gz MTOYKKFKUACFCE-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP CCc1cccc2c(C[NH+]3CCC([NH+](C)C)CC3)c[nH]c21 ZINC001138360381 803905470 /nfs/dbraw/zinc/90/54/70/803905470.db2.gz UZOCHALPASSRIV-UHFFFAOYSA-N 2 1 285.435 3.256 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001138772355 804036180 /nfs/dbraw/zinc/03/61/80/804036180.db2.gz HGBIPDWTIXBJIO-CVEARBPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCCCC[C@@H](O)C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066592 804106766 /nfs/dbraw/zinc/10/67/66/804106766.db2.gz AMIICHMAEUPUHH-BRWVUGGUSA-N 2 1 284.488 3.156 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC)CC[NH2+]1 ZINC001246073067 804110929 /nfs/dbraw/zinc/11/09/29/804110929.db2.gz SMMWPLCRVALGAV-HZPDHXFCSA-N 2 1 276.424 3.096 20 0 CGADMP Clc1ccc(Cl)c(CC[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246095269 804127305 /nfs/dbraw/zinc/12/73/05/804127305.db2.gz DYTOLZFRAPKZSS-CYBMUJFWSA-N 2 1 287.234 3.268 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246102502 804135343 /nfs/dbraw/zinc/13/53/43/804135343.db2.gz PMTAIHYTPYFEAN-BPQIPLTHSA-N 2 1 274.452 3.376 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3c(Cl)cccc3C2)[NH2+]C1 ZINC001246107643 804140680 /nfs/dbraw/zinc/14/06/80/804140680.db2.gz STJGINAYMBQOSU-SNPRPXQTSA-N 2 1 292.854 3.175 20 0 CGADMP CCCC1CCC([NH2+]C[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246117013 804147667 /nfs/dbraw/zinc/14/76/67/804147667.db2.gz YQGHGWOKCWPENH-GPANFISMSA-N 2 1 270.436 3.417 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(F)CC[NH2+]C1 ZINC001246150293 804169553 /nfs/dbraw/zinc/16/95/53/804169553.db2.gz VWDSRYSUAYPAKS-IRXDYDNUSA-N 2 1 278.415 3.079 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162090 804178905 /nfs/dbraw/zinc/17/89/05/804178905.db2.gz XBMSELFFKLNWAW-YESZJQIVSA-N 2 1 282.472 3.092 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)CC(C)(C)C1 ZINC001246162497 804179630 /nfs/dbraw/zinc/17/96/30/804179630.db2.gz ZFEJYLBIPXMPEY-NBOOPKSLSA-N 2 1 294.483 3.092 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246173594 804188155 /nfs/dbraw/zinc/18/81/55/804188155.db2.gz BGYGWUFHFCGLIB-JKSUJKDBSA-N 2 1 272.436 3.432 20 0 CGADMP C[C@@]1([NH2+]C2CCC(Oc3ccccc3)CC2)CCC[NH2+]C1 ZINC001246188190 804198846 /nfs/dbraw/zinc/19/88/46/804198846.db2.gz IBFACBLPBGUDES-VMWRSERWSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC001246214855 804212050 /nfs/dbraw/zinc/21/20/50/804212050.db2.gz VNFDWTOLFAZEFT-UMNHJUIQSA-N 2 1 270.779 3.270 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246218715 804213243 /nfs/dbraw/zinc/21/32/43/804213243.db2.gz CAPVMBKQJHTSER-ZIAGYGMSSA-N 2 1 276.415 3.426 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)C1 ZINC001246221860 804216519 /nfs/dbraw/zinc/21/65/19/804216519.db2.gz OTRXTXIGRGMFEK-JSGCOSHPSA-N 2 1 274.399 3.180 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001246229431 804221674 /nfs/dbraw/zinc/22/16/74/804221674.db2.gz CXPXDGDHISGJIS-SECBINFHSA-N 2 1 294.748 3.446 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246235542 804228592 /nfs/dbraw/zinc/22/85/92/804228592.db2.gz HXSOCMCFRRFKFA-AWEZNQCLSA-N 2 1 278.827 3.449 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H](C[NH3+])Cc2ccccc2)C1 ZINC001246263434 804244590 /nfs/dbraw/zinc/24/45/90/804244590.db2.gz DPZKBZMVKQUXRM-JKSUJKDBSA-N 2 1 260.425 3.115 20 0 CGADMP COc1cc(F)ccc1C[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246262059 804244747 /nfs/dbraw/zinc/24/47/47/804244747.db2.gz HKTMANWHPHHUIG-HOCLYGCPSA-N 2 1 294.414 3.091 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246266537 804245719 /nfs/dbraw/zinc/24/57/19/804245719.db2.gz XTGYVYBWUVXUIY-HFBAOOFYSA-N 2 1 282.378 3.392 20 0 CGADMP CCC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC001246276208 804251419 /nfs/dbraw/zinc/25/14/19/804251419.db2.gz KSDCBGPGGUUNKE-DVOMOZLQSA-N 2 1 264.388 3.397 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H](c2ccccc2F)C2CCC2)CC[NH2+]1 ZINC001246282078 804256891 /nfs/dbraw/zinc/25/68/91/804256891.db2.gz UAZPAGIAPHXYRY-QEORTHHSSA-N 2 1 276.399 3.397 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001246301266 804267857 /nfs/dbraw/zinc/26/78/57/804267857.db2.gz QWGJWTHBMVUMHJ-NSHDSACASA-N 2 1 286.341 3.282 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246329062 804283824 /nfs/dbraw/zinc/28/38/24/804283824.db2.gz LIMUHHQDMWDTKU-DLBZAZTESA-N 2 1 274.452 3.376 20 0 CGADMP CCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246342871 804294755 /nfs/dbraw/zinc/29/47/55/804294755.db2.gz TTYJISDKSHKLDJ-XQQFMLRXSA-N 2 1 280.378 3.475 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246357978 804303390 /nfs/dbraw/zinc/30/33/90/804303390.db2.gz BQMBHNLMLQXLSQ-MWQQHZPXSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001139887368 804312660 /nfs/dbraw/zinc/31/26/60/804312660.db2.gz OYJMDNFKVGZGOC-OKILXGFUSA-N 2 1 298.352 3.007 20 0 CGADMP Cc1ccc(CC(C)(C)C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246382809 804314662 /nfs/dbraw/zinc/31/46/62/804314662.db2.gz FXDYRQUSCYEZIO-NVXWUHKLSA-N 2 1 274.452 3.294 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)C[NH2+]1 ZINC001246385108 804315815 /nfs/dbraw/zinc/31/58/15/804315815.db2.gz BBQBEBUBXQFJFB-XJKSGUPXSA-N 2 1 276.399 3.021 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)C[NH2+]1 ZINC001246385104 804316367 /nfs/dbraw/zinc/31/63/67/804316367.db2.gz BBQBEBUBXQFJFB-CZUORRHYSA-N 2 1 276.399 3.021 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2F)CC[NH2+]1 ZINC001246389994 804318239 /nfs/dbraw/zinc/31/82/39/804318239.db2.gz CMAPMDKTWZIHNB-MRRJBJDNSA-N 2 1 276.399 3.397 20 0 CGADMP CCC[C@@]1(C[NH2+][C@@H](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246457265 804337850 /nfs/dbraw/zinc/33/78/50/804337850.db2.gz RMTSBQDHUXXWQV-BBRMVZONSA-N 2 1 280.843 3.393 20 0 CGADMP CC[C@]1([NH2+][C@@H](C)Cc2ccccc2Cl)CC[NH2+]C1 ZINC001246461917 804343168 /nfs/dbraw/zinc/34/31/68/804343168.db2.gz QLMIZNDUVOBSQB-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP CCC1CCC([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC001246478790 804354223 /nfs/dbraw/zinc/35/42/23/804354223.db2.gz BODXATTWXALXGL-MOKVOYLWSA-N 2 1 274.399 3.180 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)C[NH2+]1 ZINC001246488690 804357082 /nfs/dbraw/zinc/35/70/82/804357082.db2.gz IZZUHSQEPBDQEG-APIJFGDWSA-N 2 1 252.446 3.321 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246489232 804357801 /nfs/dbraw/zinc/35/78/01/804357801.db2.gz PDAXLISJFXHIFF-KGLIPLIRSA-N 2 1 274.399 3.346 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)cc(Cl)c1 ZINC001246492547 804358411 /nfs/dbraw/zinc/35/84/11/804358411.db2.gz WBMWBAAETIKZMO-WLDFSCGOSA-N 2 1 282.790 3.413 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC001246491025 804358470 /nfs/dbraw/zinc/35/84/70/804358470.db2.gz RMBAWYBRWUQZAH-OLZOCXBDSA-N 2 1 274.399 3.180 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC001246491029 804359759 /nfs/dbraw/zinc/35/97/59/804359759.db2.gz RMBAWYBRWUQZAH-STQMWFEESA-N 2 1 274.399 3.180 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001246494950 804360242 /nfs/dbraw/zinc/36/02/42/804360242.db2.gz ISLRIZKRKBGVFF-ZBFHGGJFSA-N 2 1 264.457 3.467 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246503271 804364657 /nfs/dbraw/zinc/36/46/57/804364657.db2.gz JMKGWIZOBLPORJ-CVEARBPZSA-N 2 1 280.843 3.160 20 0 CGADMP CCC[N@@H+]([C@@H](C)CC)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246528514 804380762 /nfs/dbraw/zinc/38/07/62/804380762.db2.gz HPKNKFFXUDPJDE-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246530253 804381662 /nfs/dbraw/zinc/38/16/62/804381662.db2.gz KOYVOVYKTBCWOE-HOTGVXAUSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@@H+]([C@H](C)CC)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246530005 804382297 /nfs/dbraw/zinc/38/22/97/804382297.db2.gz MRMDNWWUDDVUDO-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539067 804387574 /nfs/dbraw/zinc/38/75/74/804387574.db2.gz APGJRCKAYKQNCO-TZMCWYRMSA-N 2 1 282.428 3.120 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246538072 804388022 /nfs/dbraw/zinc/38/80/22/804388022.db2.gz MHUYGILVLXBYPV-DABQJJPHSA-N 2 1 299.245 3.423 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH2+]CC2)c1 ZINC001246538346 804389121 /nfs/dbraw/zinc/38/91/21/804389121.db2.gz NOLYNIUKMVTJQZ-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC001246545017 804392456 /nfs/dbraw/zinc/39/24/56/804392456.db2.gz GCDZKYZNZFNUSA-LESCRADOSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246544410 804393912 /nfs/dbraw/zinc/39/39/12/804393912.db2.gz VRWAXBWVLIHOKW-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246544410 804393918 /nfs/dbraw/zinc/39/39/18/804393918.db2.gz VRWAXBWVLIHOKW-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)CSc2ccc(C)cc2)C1 ZINC001246546631 804396851 /nfs/dbraw/zinc/39/68/51/804396851.db2.gz DKABQNUZWGOKEX-CVEARBPZSA-N 2 1 292.492 3.407 20 0 CGADMP CC1(C)CCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246549377 804397731 /nfs/dbraw/zinc/39/77/31/804397731.db2.gz KNAZRJGVLCGGKU-HZPDHXFCSA-N 2 1 258.409 3.354 20 0 CGADMP CC1(C)CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246549377 804397738 /nfs/dbraw/zinc/39/77/38/804397738.db2.gz KNAZRJGVLCGGKU-HZPDHXFCSA-N 2 1 258.409 3.354 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246548859 804397755 /nfs/dbraw/zinc/39/77/55/804397755.db2.gz KPYVUVJXRHLOAN-LSDHHAIUSA-N 2 1 258.425 3.498 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246550129 804399872 /nfs/dbraw/zinc/39/98/72/804399872.db2.gz UUNLGYQECPCAAX-MOPGFXCFSA-N 2 1 284.447 3.275 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246550839 804400199 /nfs/dbraw/zinc/40/01/99/804400199.db2.gz ONCUZUNAIBQVPS-CZUORRHYSA-N 2 1 298.833 3.424 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)CSc2ccc(F)cc2)C1 ZINC001246550628 804400848 /nfs/dbraw/zinc/40/08/48/804400848.db2.gz OBXKHSNCKMNBMD-UONOGXRCSA-N 2 1 296.455 3.238 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001246553367 804402720 /nfs/dbraw/zinc/40/27/20/804402720.db2.gz QYLOAAWDENPSJD-XQQFMLRXSA-N 2 1 278.362 3.311 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246551754 804402830 /nfs/dbraw/zinc/40/28/30/804402830.db2.gz QTBFVURRWHLAMU-LSDHHAIUSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C[C@@H](C)C1 ZINC001246554582 804404320 /nfs/dbraw/zinc/40/43/20/804404320.db2.gz BLZNPGDUTYFEFQ-ZVDSWSACSA-N 2 1 252.446 3.118 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246558609 804408379 /nfs/dbraw/zinc/40/83/79/804408379.db2.gz NASARJIEAYGKPQ-HZSPNIEDSA-N 2 1 272.502 3.213 20 0 CGADMP [NH3+]C[C@]1(O)CCCC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246558548 804408553 /nfs/dbraw/zinc/40/85/53/804408553.db2.gz MEHKHNDRZKIKQY-GOSISDBHSA-N 2 1 294.483 3.055 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1)CC2 ZINC001246561770 804409774 /nfs/dbraw/zinc/40/97/74/804409774.db2.gz LLSBRSYBLWNBSR-KVSKMBFKSA-N 2 1 286.463 3.159 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001246560544 804410539 /nfs/dbraw/zinc/41/05/39/804410539.db2.gz VMNBQPSSVTZQDR-HOCLYGCPSA-N 2 1 296.405 3.232 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246561837 804410571 /nfs/dbraw/zinc/41/05/71/804410571.db2.gz XCVBDEFRKCRPEL-YWPUVAFDSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246561837 804410572 /nfs/dbraw/zinc/41/05/72/804410572.db2.gz XCVBDEFRKCRPEL-YWPUVAFDSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246562903 804411754 /nfs/dbraw/zinc/41/17/54/804411754.db2.gz IGPFSFPYJXQPBL-PVUWLOKVSA-N 2 1 292.854 3.257 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246567775 804414989 /nfs/dbraw/zinc/41/49/89/804414989.db2.gz XSZKTFLHMMQSRU-FRRDWIJNSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246567775 804414994 /nfs/dbraw/zinc/41/49/94/804414994.db2.gz XSZKTFLHMMQSRU-FRRDWIJNSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@H]1C[N@H+](C2CCC(C)(C)CC2)CCC[C@H]1C[NH3+] ZINC001246567685 804415437 /nfs/dbraw/zinc/41/54/37/804415437.db2.gz MMRXEUKFMRNEIV-KBPBESRZSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246567777 804415538 /nfs/dbraw/zinc/41/55/38/804415538.db2.gz XSZKTFLHMMQSRU-JHJVBQTASA-N 2 1 298.833 3.469 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246567777 804415539 /nfs/dbraw/zinc/41/55/39/804415539.db2.gz XSZKTFLHMMQSRU-JHJVBQTASA-N 2 1 298.833 3.469 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CSc3ccccc3C2)CC1 ZINC001246572058 804418925 /nfs/dbraw/zinc/41/89/25/804418925.db2.gz CWMAXFJNFYEJTE-NVXWUHKLSA-N 2 1 290.476 3.154 20 0 CGADMP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3C[C@@H]4CCCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246572636 804419297 /nfs/dbraw/zinc/41/92/97/804419297.db2.gz OODKEMGLRLLEGQ-WCIQWLHISA-N 2 1 298.474 3.472 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC001246573772 804421217 /nfs/dbraw/zinc/42/12/17/804421217.db2.gz MEFFIAOGBFLVTF-LEOABGAYSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246575116 804422446 /nfs/dbraw/zinc/42/24/46/804422446.db2.gz VPGMHAGHNJTALX-CHWSQXEVSA-N 2 1 298.883 3.362 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246575116 804422451 /nfs/dbraw/zinc/42/24/51/804422451.db2.gz VPGMHAGHNJTALX-CHWSQXEVSA-N 2 1 298.883 3.362 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246574897 804423010 /nfs/dbraw/zinc/42/30/10/804423010.db2.gz JNYQDCRHGATOBE-WMLDXEAASA-N 2 1 278.415 3.208 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246578884 804424222 /nfs/dbraw/zinc/42/42/22/804424222.db2.gz CARRMICEKFYXQR-LSDHHAIUSA-N 2 1 258.425 3.208 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246578884 804424218 /nfs/dbraw/zinc/42/42/18/804424218.db2.gz CARRMICEKFYXQR-LSDHHAIUSA-N 2 1 258.425 3.208 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246581608 804426097 /nfs/dbraw/zinc/42/60/97/804426097.db2.gz ZFGRCCOGUVZXSV-UYSNPLJNSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246582857 804428109 /nfs/dbraw/zinc/42/81/09/804428109.db2.gz NZWSCTSEAHTLIQ-QWHCGFSZSA-N 2 1 298.833 3.471 20 0 CGADMP COc1cccc(C[C@H](C)[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001246587062 804430079 /nfs/dbraw/zinc/43/00/79/804430079.db2.gz VEKZFWMHKBBTNA-YJBOKZPZSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246589827 804431963 /nfs/dbraw/zinc/43/19/63/804431963.db2.gz GVIIGMUYRHGGNG-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@]1(F)CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1F ZINC001246589999 804432151 /nfs/dbraw/zinc/43/21/51/804432151.db2.gz RFWIENFUYYBRBM-CABCVRRESA-N 2 1 286.410 3.071 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246592391 804433038 /nfs/dbraw/zinc/43/30/38/804433038.db2.gz QLKHEVFAYSSLMK-MGPQQGTHSA-N 2 1 280.843 3.330 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246604400 804440097 /nfs/dbraw/zinc/44/00/97/804440097.db2.gz LROUFACGMQHNDA-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)CC[C@H](C)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246607384 804443176 /nfs/dbraw/zinc/44/31/76/804443176.db2.gz DKHOYLLSNOVIHR-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246607775 804443271 /nfs/dbraw/zinc/44/32/71/804443271.db2.gz FJNYHQHEFTVTDA-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246607775 804443276 /nfs/dbraw/zinc/44/32/76/804443276.db2.gz FJNYHQHEFTVTDA-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001246607583 804443318 /nfs/dbraw/zinc/44/33/18/804443318.db2.gz RBZNZNAMWRLXAH-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246611519 804445188 /nfs/dbraw/zinc/44/51/88/804445188.db2.gz GNNWBBNFJNXGCI-QZTJIDSGSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246611519 804445193 /nfs/dbraw/zinc/44/51/93/804445193.db2.gz GNNWBBNFJNXGCI-QZTJIDSGSA-N 3 1 295.515 3.105 20 0 CGADMP CC[C@H](CC(C)C)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246612395 804446875 /nfs/dbraw/zinc/44/68/75/804446875.db2.gz QNTOLLZFOIZYNW-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)COCC[C@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246614235 804448048 /nfs/dbraw/zinc/44/80/48/804448048.db2.gz NEOBXJADHNCAFP-DLBZAZTESA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246614235 804448051 /nfs/dbraw/zinc/44/80/51/804448051.db2.gz NEOBXJADHNCAFP-DLBZAZTESA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614185 804448540 /nfs/dbraw/zinc/44/85/40/804448540.db2.gz MQYKPPSZGJQKSP-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C[C@H]1C ZINC001246614661 804448915 /nfs/dbraw/zinc/44/89/15/804448915.db2.gz UBZNKJVPLWGVMS-OAGGEKHMSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615872 804450608 /nfs/dbraw/zinc/45/06/08/804450608.db2.gz TZMPCCJILDJBRY-ULQDDVLXSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615872 804450610 /nfs/dbraw/zinc/45/06/10/804450610.db2.gz TZMPCCJILDJBRY-ULQDDVLXSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617189 804451235 /nfs/dbraw/zinc/45/12/35/804451235.db2.gz YIQSTLZEKKTJOH-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617189 804451241 /nfs/dbraw/zinc/45/12/41/804451241.db2.gz YIQSTLZEKKTJOH-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246622898 804454984 /nfs/dbraw/zinc/45/49/84/804454984.db2.gz KKYQHDIRXCIULP-XMTFNYHQSA-N 2 1 296.458 3.110 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246623708 804455963 /nfs/dbraw/zinc/45/59/63/804455963.db2.gz MNEVRPJYGBYHPQ-SJORKVTESA-N 2 1 284.447 3.254 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246624601 804456612 /nfs/dbraw/zinc/45/66/12/804456612.db2.gz VMIUGBJNGQVGRW-KRWDZBQOSA-N 2 1 282.472 3.190 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246625523 804457192 /nfs/dbraw/zinc/45/71/92/804457192.db2.gz WHSKDPRBDYUJJF-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001246625540 804457415 /nfs/dbraw/zinc/45/74/15/804457415.db2.gz WKTUQBJDFNMGMZ-LEOMRAHMSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001246625540 804457417 /nfs/dbraw/zinc/45/74/17/804457417.db2.gz WKTUQBJDFNMGMZ-LEOMRAHMSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629418 804460467 /nfs/dbraw/zinc/46/04/67/804460467.db2.gz ZCFYPPXKKLGGIZ-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246639191 804467371 /nfs/dbraw/zinc/46/73/71/804467371.db2.gz NVKURCZHUVOMFG-MRXNPFEDSA-N 2 1 272.436 3.002 20 0 CGADMP C1C[C@]2(CC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)[NH2+]1 ZINC001246638442 804467850 /nfs/dbraw/zinc/46/78/50/804467850.db2.gz SFLHXXXSUMJFRY-NVXWUHKLSA-N 2 1 262.441 3.317 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)C[C@@H]21 ZINC001246643462 804470972 /nfs/dbraw/zinc/47/09/72/804470972.db2.gz HCYZMNQRJXXCBP-WCXIOVBPSA-N 2 1 276.468 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246647101 804473698 /nfs/dbraw/zinc/47/36/98/804473698.db2.gz HDBNCWOFFACGPM-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCCC[C@@]23CCC[NH2+]C3)C1 ZINC001246652457 804479048 /nfs/dbraw/zinc/47/90/48/804479048.db2.gz PELOPWLPTOUKGK-ZBFHGGJFSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140639721 804481039 /nfs/dbraw/zinc/48/10/39/804481039.db2.gz NRPAUZARIXPXIH-OKILXGFUSA-N 2 1 286.444 3.285 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140639721 804481042 /nfs/dbraw/zinc/48/10/42/804481042.db2.gz NRPAUZARIXPXIH-OKILXGFUSA-N 2 1 286.444 3.285 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140639721 804481047 /nfs/dbraw/zinc/48/10/47/804481047.db2.gz NRPAUZARIXPXIH-OKILXGFUSA-N 2 1 286.444 3.285 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@]23CCC[NH2+]C3)C1 ZINC001246654520 804481166 /nfs/dbraw/zinc/48/11/66/804481166.db2.gz WKLMQICMZDCVRQ-BZUAXINKSA-N 2 1 250.430 3.173 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC001246660923 804483287 /nfs/dbraw/zinc/48/32/87/804483287.db2.gz QLEGPHZAROLINS-YDZRNGNQSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246658794 804483334 /nfs/dbraw/zinc/48/33/34/804483334.db2.gz AOZUEHCJBNRLAL-XDNAFOTISA-N 2 1 270.420 3.149 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246660066 804484291 /nfs/dbraw/zinc/48/42/91/804484291.db2.gz OGKPIIOJFYVEEB-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001246664358 804486929 /nfs/dbraw/zinc/48/69/29/804486929.db2.gz MWJLUXVHOVMJHE-BFYDXBDKSA-N 2 1 290.476 3.289 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001246664358 804486932 /nfs/dbraw/zinc/48/69/32/804486932.db2.gz MWJLUXVHOVMJHE-BFYDXBDKSA-N 2 1 290.476 3.289 20 0 CGADMP COc1ccc(CN2CCC([N@@H+](C)C3CC3)CC2)c(C)c1 ZINC001140677705 804488366 /nfs/dbraw/zinc/48/83/66/804488366.db2.gz VVLZFUHCTHSYMA-UHFFFAOYSA-N 2 1 288.435 3.062 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246666921 804488352 /nfs/dbraw/zinc/48/83/52/804488352.db2.gz SRQDYDCXYXJXNM-GDBMZVCRSA-N 2 1 252.446 3.260 20 0 CGADMP CC[C@@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246670703 804489664 /nfs/dbraw/zinc/48/96/64/804489664.db2.gz FCQURSDURZPBHG-DJIMGWMZSA-N 2 1 258.409 3.007 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246678563 804493266 /nfs/dbraw/zinc/49/32/66/804493266.db2.gz XZXASVZVBMMQKF-ODZFXCKXSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C1 ZINC001246678743 804493297 /nfs/dbraw/zinc/49/32/97/804493297.db2.gz YMTGMEACUVDQHI-NXWXRZEISA-N 2 1 284.447 3.397 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246681501 804494528 /nfs/dbraw/zinc/49/45/28/804494528.db2.gz OYDFPXIBFMOMQB-NVXWUHKLSA-N 2 1 258.409 3.274 20 0 CGADMP C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1 ZINC001246681859 804494840 /nfs/dbraw/zinc/49/48/40/804494840.db2.gz JYIIWNJTSCLITO-GDAAHCPNSA-N 2 1 284.447 3.254 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246685738 804495536 /nfs/dbraw/zinc/49/55/36/804495536.db2.gz BDWBTAIPRRMSPZ-ARFHVFGLSA-N 2 1 270.436 3.369 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246685766 804496093 /nfs/dbraw/zinc/49/60/93/804496093.db2.gz BRTKAAOFYUHDGF-FVQHAEBGSA-N 2 1 290.451 3.436 20 0 CGADMP C[N@@H+](C1CC[NH2+]CC1)C1CCC(c2ccccc2)CC1 ZINC001246699597 804499494 /nfs/dbraw/zinc/49/94/94/804499494.db2.gz ZOVWBRXYPFDXAE-UHFFFAOYSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H]1CCCCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246767241 804500846 /nfs/dbraw/zinc/50/08/46/804500846.db2.gz AVYWCNCCFHQDRD-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP COc1ccccc1C[N@H+](C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246770231 804502696 /nfs/dbraw/zinc/50/26/96/804502696.db2.gz NSJZXAHKWJSXFJ-RDJZCZTQSA-N 2 1 290.451 3.294 20 0 CGADMP COc1ccccc1C[N@@H+](C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246770231 804502702 /nfs/dbraw/zinc/50/27/02/804502702.db2.gz NSJZXAHKWJSXFJ-RDJZCZTQSA-N 2 1 290.451 3.294 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246773626 804503867 /nfs/dbraw/zinc/50/38/67/804503867.db2.gz BVVVPSIVUFGVFK-KBAYOESNSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246774737 804505351 /nfs/dbraw/zinc/50/53/51/804505351.db2.gz GNVJQMACHGAXIJ-IRXDYDNUSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246780415 804508807 /nfs/dbraw/zinc/50/88/07/804508807.db2.gz VNIQRLBQJGXXMA-HYVNUMGLSA-N 2 1 258.409 3.007 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001246783068 804510114 /nfs/dbraw/zinc/51/01/14/804510114.db2.gz NAQOJIZLQQYTHI-UHFFFAOYSA-N 2 1 276.468 3.418 20 0 CGADMP CC1(C)CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246782925 804510623 /nfs/dbraw/zinc/51/06/23/804510623.db2.gz MTAHGEYBNVKAIH-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001140780539 804512382 /nfs/dbraw/zinc/51/23/82/804512382.db2.gz CPBSKXPJZWVNJN-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CC[C@@H]1CC([N@@H+](CC2CC2)C(C)C)C[C@@H](CC)[NH2+]1 ZINC001246788647 804513699 /nfs/dbraw/zinc/51/36/99/804513699.db2.gz HQGLGZPXVRACQQ-HUUCEWRRSA-N 2 1 252.446 3.416 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001246791431 804515767 /nfs/dbraw/zinc/51/57/67/804515767.db2.gz YOEHZDWBCOPMGH-WFASDCNBSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001246791431 804515771 /nfs/dbraw/zinc/51/57/71/804515771.db2.gz YOEHZDWBCOPMGH-WFASDCNBSA-N 2 1 266.816 3.475 20 0 CGADMP Fc1ccccc1[C@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246791127 804515838 /nfs/dbraw/zinc/51/58/38/804515838.db2.gz XQNHHLFIBXZGJT-MRXNPFEDSA-N 2 1 262.372 3.105 20 0 CGADMP Fc1ccccc1[C@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC001246791127 804515843 /nfs/dbraw/zinc/51/58/43/804515843.db2.gz XQNHHLFIBXZGJT-MRXNPFEDSA-N 2 1 262.372 3.105 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246792936 804515853 /nfs/dbraw/zinc/51/58/53/804515853.db2.gz SNCOPYTVMJWZHB-OTWHNJEPSA-N 2 1 286.463 3.328 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+](C)CCC1CC[NH2+]CC1)C2 ZINC001246793692 804516854 /nfs/dbraw/zinc/51/68/54/804516854.db2.gz CUAOWDCYZKZAAC-SFHVURJKSA-N 2 1 286.463 3.174 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC2(C1)CCCCC2 ZINC001140804993 804522490 /nfs/dbraw/zinc/52/24/90/804522490.db2.gz NSVHCNNIPKIINA-UHFFFAOYSA-N 2 1 255.365 3.329 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)[C@H](C)C1 ZINC001246810084 804526699 /nfs/dbraw/zinc/52/66/99/804526699.db2.gz MHPNBSLIWIREIJ-KBUPBQIOSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@@H](C)C1 ZINC001246810584 804527161 /nfs/dbraw/zinc/52/71/61/804527161.db2.gz OODGMVPRGXOTAE-XNIRIUNOSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246814114 804530818 /nfs/dbraw/zinc/53/08/18/804530818.db2.gz NMSUZWIYBUORHB-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCCc3ccccc3C2)CC[NH2+]1 ZINC001246815452 804531940 /nfs/dbraw/zinc/53/19/40/804531940.db2.gz CVTLFUZEWJMFQK-QZTJIDSGSA-N 2 1 272.436 3.211 20 0 CGADMP c1ccc2c(c1)CCC[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246817236 804533405 /nfs/dbraw/zinc/53/34/05/804533405.db2.gz OSJTZEUNPNHIHM-RTBURBONSA-N 2 1 284.447 3.357 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC001246827209 804538505 /nfs/dbraw/zinc/53/85/05/804538505.db2.gz ZURKITPQHGIAKU-KNIAUWFNSA-N 2 1 250.430 3.172 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC001246827209 804538510 /nfs/dbraw/zinc/53/85/10/804538510.db2.gz ZURKITPQHGIAKU-KNIAUWFNSA-N 2 1 250.430 3.172 20 0 CGADMP C1C[C@@H]2C[C@H](C1)C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246831811 804540720 /nfs/dbraw/zinc/54/07/20/804540720.db2.gz LWCZDDNVHAYXBY-IYBDPMFKSA-N 2 1 276.468 3.421 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246831444 804541400 /nfs/dbraw/zinc/54/14/00/804541400.db2.gz FDWKABILFMIWMB-TWMKSMIVSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246831444 804541402 /nfs/dbraw/zinc/54/14/02/804541402.db2.gz FDWKABILFMIWMB-TWMKSMIVSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840215 804548766 /nfs/dbraw/zinc/54/87/66/804548766.db2.gz GKRZOJDQMVDHJR-RDGPPVDQSA-N 2 1 286.463 3.313 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)CC2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246841117 804549950 /nfs/dbraw/zinc/54/99/50/804549950.db2.gz MOCVZXJRIWTZKP-ZSHCYNCHSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246841025 804550740 /nfs/dbraw/zinc/55/07/40/804550740.db2.gz SDDHCTQGACVITA-STQMWFEESA-N 2 1 264.388 3.177 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246843454 804552067 /nfs/dbraw/zinc/55/20/67/804552067.db2.gz GGOZVSDPYRRGHB-GUDVDZBRSA-N 2 1 286.463 3.329 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843735 804552572 /nfs/dbraw/zinc/55/25/72/804552572.db2.gz VZPUDSFICBSTKD-XMTFNYHQSA-N 2 1 272.436 3.067 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246844610 804554105 /nfs/dbraw/zinc/55/41/05/804554105.db2.gz ZSWJPPWMFIQCPN-KGLIPLIRSA-N 2 1 280.843 3.202 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246847158 804556375 /nfs/dbraw/zinc/55/63/75/804556375.db2.gz QDKGFHLUCJPHBL-FUFFSDJGSA-N 2 1 298.474 3.329 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](CC)C2)cc1 ZINC001246848119 804557833 /nfs/dbraw/zinc/55/78/33/804557833.db2.gz WEPKBAQFFAKALY-IAGOWNOFSA-N 2 1 260.425 3.211 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246848447 804558829 /nfs/dbraw/zinc/55/88/29/804558829.db2.gz VMCOYLTZOSSTBB-RISCZKNCSA-N 2 1 284.806 3.223 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001246850591 804559710 /nfs/dbraw/zinc/55/97/10/804559710.db2.gz CFIQMXWBFKVMAJ-ZOBUZTSGSA-N 2 1 262.441 3.303 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246851060 804560241 /nfs/dbraw/zinc/56/02/41/804560241.db2.gz YDOWTOAQIKZTJG-JQHSSLGASA-N 2 1 290.426 3.392 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246859688 804565365 /nfs/dbraw/zinc/56/53/65/804565365.db2.gz MOJBZLUUKBNWQT-VYDXJSESSA-N 2 1 298.434 3.047 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](CC)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246863785 804568355 /nfs/dbraw/zinc/56/83/55/804568355.db2.gz NDUMLVCSOJBANV-JKSUJKDBSA-N 2 1 264.388 3.178 20 0 CGADMP c1cn(C2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c2ccccc12 ZINC001246867244 804569469 /nfs/dbraw/zinc/56/94/69/804569469.db2.gz HPOBTCIQAIGSGS-GOSISDBHSA-N 2 1 297.446 3.420 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001246865378 804570239 /nfs/dbraw/zinc/57/02/39/804570239.db2.gz UFYIDYKNISRRSD-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246869121 804571855 /nfs/dbraw/zinc/57/18/55/804571855.db2.gz TYUQUCUMTIVTRX-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246872223 804572941 /nfs/dbraw/zinc/57/29/41/804572941.db2.gz GGCNIRJCNKKMNQ-KURKYZTESA-N 2 1 272.436 3.038 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)C)CC[NH2+]1 ZINC001246885886 804579714 /nfs/dbraw/zinc/57/97/14/804579714.db2.gz GIBGQWOGOTWYNZ-PMPSAXMXSA-N 2 1 252.446 3.418 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001246888018 804581293 /nfs/dbraw/zinc/58/12/93/804581293.db2.gz QCNZDKVRAMVDPC-SWLSCSKDSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001246888018 804581297 /nfs/dbraw/zinc/58/12/97/804581297.db2.gz QCNZDKVRAMVDPC-SWLSCSKDSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001246898120 804587235 /nfs/dbraw/zinc/58/72/35/804587235.db2.gz AFWHYNKYXBASHJ-CXAGYDPISA-N 2 1 271.408 3.303 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246910562 804594851 /nfs/dbraw/zinc/59/48/51/804594851.db2.gz UWZNZPLKFQUMEA-HUUCEWRRSA-N 2 1 260.425 3.346 20 0 CGADMP CCC(CC)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246912256 804595665 /nfs/dbraw/zinc/59/56/65/804595665.db2.gz DSWAYCNMMQBVHU-UHFFFAOYSA-N 2 1 260.425 3.429 20 0 CGADMP Clc1ccc(C2CCC([N@@H+]3C[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246919856 804600961 /nfs/dbraw/zinc/60/09/61/804600961.db2.gz NYYDVVZHQCDJMZ-VLVHBFOGSA-N 2 1 290.838 3.270 20 0 CGADMP Clc1ccc(C2CCC([N@H+]3C[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246919856 804600963 /nfs/dbraw/zinc/60/09/63/804600963.db2.gz NYYDVVZHQCDJMZ-VLVHBFOGSA-N 2 1 290.838 3.270 20 0 CGADMP CCCCCC[C@H](C)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927153 804603947 /nfs/dbraw/zinc/60/39/47/804603947.db2.gz GKQNJFHEQFEXNM-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCCC[C@H](C)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927153 804603949 /nfs/dbraw/zinc/60/39/49/804603949.db2.gz GKQNJFHEQFEXNM-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246929201 804605485 /nfs/dbraw/zinc/60/54/85/804605485.db2.gz CNWGLIZMJFBYAY-IYBDPMFKSA-N 2 1 266.473 3.379 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246933657 804606552 /nfs/dbraw/zinc/60/65/52/804606552.db2.gz ADGDYGKMZMDXGI-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CSc1ccc(C)cc1 ZINC001246935294 804606881 /nfs/dbraw/zinc/60/68/81/804606881.db2.gz GPBNWLPFPCXMLT-CVEARBPZSA-N 2 1 292.492 3.407 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246938310 804610548 /nfs/dbraw/zinc/61/05/48/804610548.db2.gz LXSRINKTYKMMLS-RRFJBIMHSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246964982 804619287 /nfs/dbraw/zinc/61/92/87/804619287.db2.gz FABLMGZVIGBHPE-SYYJFZTOSA-N 2 1 298.474 3.484 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC001246966626 804620481 /nfs/dbraw/zinc/62/04/81/804620481.db2.gz LGJGWCIMBWPIKZ-KBXCAEBGSA-N 2 1 272.436 3.408 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246967218 804620720 /nfs/dbraw/zinc/62/07/20/804620720.db2.gz MKVWBNLMABDUDA-XIRDDKMYSA-N 2 1 258.409 3.354 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1C[C@H](C)C[C@@H](C)C1 ZINC001246972115 804622668 /nfs/dbraw/zinc/62/26/68/804622668.db2.gz CRENUZNKSUEFAS-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC2(CC2)CC1 ZINC001246975714 804623966 /nfs/dbraw/zinc/62/39/66/804623966.db2.gz OJBRFICYBODOIO-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246973371 804624320 /nfs/dbraw/zinc/62/43/20/804624320.db2.gz GZQPKWFGUKDYEA-CAOSSQGBSA-N 2 1 252.446 3.405 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(F)cc1 ZINC001246977701 804625853 /nfs/dbraw/zinc/62/58/53/804625853.db2.gz UCFLVYVZBAXRHR-HOCLYGCPSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC001246977993 804626110 /nfs/dbraw/zinc/62/61/10/804626110.db2.gz GTQXCROGIQCHIM-NEWSRXKRSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@H](CC(C)C)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246978456 804626233 /nfs/dbraw/zinc/62/62/33/804626233.db2.gz VBPMRMLONOYJFB-CQSZACIVSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246985632 804628663 /nfs/dbraw/zinc/62/86/63/804628663.db2.gz ITJMJLRKMMMGNU-JJLQDPRZSA-N 2 1 299.245 3.423 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246986069 804629057 /nfs/dbraw/zinc/62/90/57/804629057.db2.gz JOHVUIZLUIAOKS-WMZOPIPTSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246986069 804629060 /nfs/dbraw/zinc/62/90/60/804629060.db2.gz JOHVUIZLUIAOKS-WMZOPIPTSA-N 2 1 295.515 3.103 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001246991302 804631883 /nfs/dbraw/zinc/63/18/83/804631883.db2.gz ZZTGKCNLGHAULP-JTQLQIEISA-N 2 1 275.223 3.423 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001246991302 804631886 /nfs/dbraw/zinc/63/18/86/804631886.db2.gz ZZTGKCNLGHAULP-JTQLQIEISA-N 2 1 275.223 3.423 20 0 CGADMP CC[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246991280 804632059 /nfs/dbraw/zinc/63/20/59/804632059.db2.gz WQPAEKLNGHYPBC-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC001247000746 804634588 /nfs/dbraw/zinc/63/45/88/804634588.db2.gz XAKMUGZXSPMZND-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247004252 804635182 /nfs/dbraw/zinc/63/51/82/804635182.db2.gz RIHKLDSPFBKZCA-BBRMVZONSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])C2)CC(C)(C)C1 ZINC001247005899 804636846 /nfs/dbraw/zinc/63/68/46/804636846.db2.gz VWOMUQCCUVDFRJ-YCPHGPKFSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)c1cccc(NCC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001165278711 806986799 /nfs/dbraw/zinc/98/67/99/806986799.db2.gz KUBHXIAIKUPIHC-CQSZACIVSA-N 2 1 261.413 3.349 20 0 CGADMP CC(C)c1cccc(NCC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC001165278711 806986804 /nfs/dbraw/zinc/98/68/04/806986804.db2.gz KUBHXIAIKUPIHC-CQSZACIVSA-N 2 1 261.413 3.349 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(F)c1C ZINC001143768761 804894400 /nfs/dbraw/zinc/89/44/00/804894400.db2.gz AQQULFOXJCCVIK-UHFFFAOYSA-N 2 1 284.394 3.437 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(F)c1C ZINC001143768761 804894409 /nfs/dbraw/zinc/89/44/09/804894409.db2.gz AQQULFOXJCCVIK-UHFFFAOYSA-N 2 1 284.394 3.437 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001143768014 804894699 /nfs/dbraw/zinc/89/46/99/804894699.db2.gz VAXBXVOGDJOZQD-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP Cc1nc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)sc1C ZINC001144367317 804977603 /nfs/dbraw/zinc/97/76/03/804977603.db2.gz OZEFBZQRLBGGPS-UHFFFAOYSA-N 2 1 295.496 3.312 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2c1CCC2 ZINC001249459467 805153429 /nfs/dbraw/zinc/15/34/29/805153429.db2.gz VTOYGVHRXHCPTH-UHFFFAOYSA-N 2 1 274.452 3.339 20 0 CGADMP Cc1cc(Nc2cc[nH+]c(C3CCC3)c2)c[nH+]c1N ZINC001249785824 805246486 /nfs/dbraw/zinc/24/64/86/805246486.db2.gz DVCWTXJVXPUOTQ-UHFFFAOYSA-N 2 1 254.337 3.378 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001154986812 805518885 /nfs/dbraw/zinc/51/88/85/805518885.db2.gz UMSTUQWAVGWJFN-CHWSQXEVSA-N 2 1 299.422 3.228 20 0 CGADMP COc1ccc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)c2c1 ZINC001155031537 805527319 /nfs/dbraw/zinc/52/73/19/805527319.db2.gz MIRBADSRMAHQSE-ZFWWWQNUSA-N 2 1 299.418 3.291 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CC1 ZINC001256869615 806995141 /nfs/dbraw/zinc/99/51/41/806995141.db2.gz MTXCRODYWKDIRR-VMWRSERWSA-N 2 1 294.483 3.046 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001256869615 806995145 /nfs/dbraw/zinc/99/51/45/806995145.db2.gz MTXCRODYWKDIRR-VMWRSERWSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[NH+]1CCC([NH+]2CCC3(CCC3)CC2)CC1 ZINC001257214897 807061755 /nfs/dbraw/zinc/06/17/55/807061755.db2.gz OAJOOOKCIGYUHI-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCC23CCCCC3)CC1 ZINC001257214794 807061834 /nfs/dbraw/zinc/06/18/34/807061834.db2.gz LNOCMSZPKKYYJB-UHFFFAOYSA-N 2 1 250.430 3.268 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC23CCCCC3)CC1 ZINC001257214794 807061843 /nfs/dbraw/zinc/06/18/43/807061843.db2.gz LNOCMSZPKKYYJB-UHFFFAOYSA-N 2 1 250.430 3.268 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257212110 807062818 /nfs/dbraw/zinc/06/28/18/807062818.db2.gz URKNEXWMYUZWSN-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC001257213572 807063529 /nfs/dbraw/zinc/06/35/29/807063529.db2.gz QQBJUDMRMTURDR-OAHLLOKOSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC001257213572 807063534 /nfs/dbraw/zinc/06/35/34/807063534.db2.gz QQBJUDMRMTURDR-OAHLLOKOSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001257221958 807066139 /nfs/dbraw/zinc/06/61/39/807066139.db2.gz NLKYOGDPWYQHFV-KRWDZBQOSA-N 2 1 258.409 3.306 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001257221958 807066142 /nfs/dbraw/zinc/06/61/42/807066142.db2.gz NLKYOGDPWYQHFV-KRWDZBQOSA-N 2 1 258.409 3.306 20 0 CGADMP CCC(CC)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001257299724 807093721 /nfs/dbraw/zinc/09/37/21/807093721.db2.gz NENORECSXFKJJW-IAGOWNOFSA-N 2 1 272.436 3.239 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001257358319 807121613 /nfs/dbraw/zinc/12/16/13/807121613.db2.gz ZNZMZNHUAGNXJJ-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001257358319 807121618 /nfs/dbraw/zinc/12/16/18/807121618.db2.gz ZNZMZNHUAGNXJJ-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001257442432 807158807 /nfs/dbraw/zinc/15/88/07/807158807.db2.gz CJDALUYBHPQKJZ-HNNXBMFYSA-N 2 1 272.436 3.308 20 0 CGADMP CC[C@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001257442432 807158812 /nfs/dbraw/zinc/15/88/12/807158812.db2.gz CJDALUYBHPQKJZ-HNNXBMFYSA-N 2 1 272.436 3.308 20 0 CGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C4CCCCC4)C[C@H]3C2)c1 ZINC001257456406 807165758 /nfs/dbraw/zinc/16/57/58/807165758.db2.gz UETIUESDVCNBOM-HUUCEWRRSA-N 2 1 290.476 3.444 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257483413 807178830 /nfs/dbraw/zinc/17/88/30/807178830.db2.gz WBKFSQZLLJZSDV-FPCVCCKLSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257483413 807178835 /nfs/dbraw/zinc/17/88/35/807178835.db2.gz WBKFSQZLLJZSDV-FPCVCCKLSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257483413 807178836 /nfs/dbraw/zinc/17/88/36/807178836.db2.gz WBKFSQZLLJZSDV-FPCVCCKLSA-N 2 1 252.446 3.085 20 0 CGADMP C[N@@H+](CC/C=C/c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001167477914 807196737 /nfs/dbraw/zinc/19/67/37/807196737.db2.gz IWKFCNJUTHMAMG-PMQIGOLDSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](CC/C=C/c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001167477914 807196740 /nfs/dbraw/zinc/19/67/40/807196740.db2.gz IWKFCNJUTHMAMG-PMQIGOLDSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](CC/C=C/c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001167477914 807196745 /nfs/dbraw/zinc/19/67/45/807196745.db2.gz IWKFCNJUTHMAMG-PMQIGOLDSA-N 2 1 272.436 3.364 20 0 CGADMP C[N@@H+](CC/C=C\c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001167477917 807197355 /nfs/dbraw/zinc/19/73/55/807197355.db2.gz IWKFCNJUTHMAMG-SNMSSPIJSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](CC/C=C\c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001167477917 807197357 /nfs/dbraw/zinc/19/73/57/807197357.db2.gz IWKFCNJUTHMAMG-SNMSSPIJSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](CC/C=C\c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001167477917 807197360 /nfs/dbraw/zinc/19/73/60/807197360.db2.gz IWKFCNJUTHMAMG-SNMSSPIJSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cccn2c[nH+]cc12 ZINC001167753107 807241403 /nfs/dbraw/zinc/24/14/03/807241403.db2.gz CTAWPHATKNNXMX-CQSZACIVSA-N 2 1 272.396 3.011 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cccn2c[nH+]cc12 ZINC001167753107 807241407 /nfs/dbraw/zinc/24/14/07/807241407.db2.gz CTAWPHATKNNXMX-CQSZACIVSA-N 2 1 272.396 3.011 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2cccc2[C@H]1C ZINC001167833521 807257075 /nfs/dbraw/zinc/25/70/75/807257075.db2.gz BZSNQZFXMIARBU-JKSUJKDBSA-N 2 1 277.456 3.375 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2cnc(C)cc2C1 ZINC001167833447 807257361 /nfs/dbraw/zinc/25/73/61/807257361.db2.gz BFIIPMLUSSASNG-OAHLLOKOSA-N 2 1 275.440 3.216 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C(C)C)C1CCOCC1 ZINC001167835219 807259509 /nfs/dbraw/zinc/25/95/09/807259509.db2.gz OWGGLBUVHPASDS-MRXNPFEDSA-N 2 1 284.488 3.386 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258002440 807262828 /nfs/dbraw/zinc/26/28/28/807262828.db2.gz KJJXFEKIEWTWAJ-UHFFFAOYSA-N 2 1 278.415 3.344 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001258010433 807264432 /nfs/dbraw/zinc/26/44/32/807264432.db2.gz AFNKDHSXBVBUAV-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001258010433 807264437 /nfs/dbraw/zinc/26/44/37/807264437.db2.gz AFNKDHSXBVBUAV-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]C(C)(C)c2ccncc2)CC1 ZINC001258005333 807264585 /nfs/dbraw/zinc/26/45/85/807264585.db2.gz OSRXTMMRFIVGHB-UHFFFAOYSA-N 2 1 275.440 3.027 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167893309 807268150 /nfs/dbraw/zinc/26/81/50/807268150.db2.gz FVBOIXITJYGMNX-INDMIFKZSA-N 2 1 284.447 3.287 20 0 CGADMP c1cncc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167969471 807287890 /nfs/dbraw/zinc/28/78/90/807287890.db2.gz CKCYCNDQZHKBKO-AYHJJNSGSA-N 2 1 297.446 3.066 20 0 CGADMP c1cncc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167969471 807287896 /nfs/dbraw/zinc/28/78/96/807287896.db2.gz CKCYCNDQZHKBKO-AYHJJNSGSA-N 2 1 297.446 3.066 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258067798 807288072 /nfs/dbraw/zinc/28/80/72/807288072.db2.gz UTXKOQUKZRCFHK-HZMVEIRTSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258067798 807288075 /nfs/dbraw/zinc/28/80/75/807288075.db2.gz UTXKOQUKZRCFHK-HZMVEIRTSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258067798 807288079 /nfs/dbraw/zinc/28/80/79/807288079.db2.gz UTXKOQUKZRCFHK-HZMVEIRTSA-N 2 1 266.473 3.331 20 0 CGADMP CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982095 807290099 /nfs/dbraw/zinc/29/00/99/807290099.db2.gz WUIJJVCFGCBWHW-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982095 807290102 /nfs/dbraw/zinc/29/01/02/807290102.db2.gz WUIJJVCFGCBWHW-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168101391 807311576 /nfs/dbraw/zinc/31/15/76/807311576.db2.gz LEQKQNSLSSOYNO-LEUOFYLZSA-N 2 1 294.483 3.316 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@@H]3C3CC3)CC2)cc1 ZINC001258139316 807319902 /nfs/dbraw/zinc/31/99/02/807319902.db2.gz GKGLPXOKEUEAAL-MOPGFXCFSA-N 2 1 284.447 3.082 20 0 CGADMP Cc1ccc(C)c(Nc2cccc(N3CC[NH+](C)CC3)c2)[nH+]1 ZINC001212711654 815111276 /nfs/dbraw/zinc/11/12/76/815111276.db2.gz LQDPSLMBNOFKRG-UHFFFAOYSA-N 2 1 296.418 3.194 20 0 CGADMP CSCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258209636 807366087 /nfs/dbraw/zinc/36/60/87/807366087.db2.gz QLAVGMRPUUPBDD-ZDUSSCGKSA-N 2 1 296.455 3.217 20 0 CGADMP Cc1cccc(C[N@H+](C)C2CCC([NH+](C)C)CC2)c1 ZINC001168316148 807381340 /nfs/dbraw/zinc/38/13/40/807381340.db2.gz XBKNHEUNDHKRTE-UHFFFAOYSA-N 2 1 260.425 3.300 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCCc3ccccc3C2)CC1 ZINC001168324666 807383425 /nfs/dbraw/zinc/38/34/25/807383425.db2.gz UFAYYESCFLFGEC-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001168324176 807383821 /nfs/dbraw/zinc/38/38/21/807383821.db2.gz IOCCFJANHGGEQD-FHERZECASA-N 2 1 290.426 3.488 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C2 ZINC001258274246 807388559 /nfs/dbraw/zinc/38/85/59/807388559.db2.gz PZNGHNDTKFYCET-APIJFGDWSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001168373681 807396685 /nfs/dbraw/zinc/39/66/85/807396685.db2.gz SJMCXMJFRQGGDJ-HUUCEWRRSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001168373674 807398343 /nfs/dbraw/zinc/39/83/43/807398343.db2.gz SJMCXMJFRQGGDJ-CABCVRRESA-N 2 1 264.457 3.229 20 0 CGADMP CC1(C)CCC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001258298890 807402843 /nfs/dbraw/zinc/40/28/43/807402843.db2.gz VVTFZAOMKOWKBC-OAHLLOKOSA-N 2 1 250.430 3.125 20 0 CGADMP COC(=[NH2+])c1cccc(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001168549768 807444175 /nfs/dbraw/zinc/44/41/75/807444175.db2.gz VNCQECKVRYVPMJ-AWEZNQCLSA-N 2 1 295.386 3.242 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258649927 807521939 /nfs/dbraw/zinc/52/19/39/807521939.db2.gz UWFLYPVTYIMCMJ-ZWKOTPCHSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[C@@H](Cc1ccccc1)n1cc[nH+]c1CCC[NH3+] ZINC001258654218 807524677 /nfs/dbraw/zinc/52/46/77/807524677.db2.gz KLYYDWUEVNDHOJ-INIZCTEOSA-N 2 1 271.408 3.358 20 0 CGADMP CCN(CC)C[C@@H]1C[N@@H+]([C@@H]2C[C@H](C)CC(C)(C)C2)CCO1 ZINC001258705920 807559671 /nfs/dbraw/zinc/55/96/71/807559671.db2.gz ZRWQGPHDVSIJKL-GVDBMIGSSA-N 2 1 296.499 3.244 20 0 CGADMP CCN(CC)C[C@@H]1C[N@H+]([C@@H]2C[C@H](C)CC(C)(C)C2)CCO1 ZINC001258705920 807559677 /nfs/dbraw/zinc/55/96/77/807559677.db2.gz ZRWQGPHDVSIJKL-GVDBMIGSSA-N 2 1 296.499 3.244 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccccc1)C2 ZINC001169081066 807569560 /nfs/dbraw/zinc/56/95/60/807569560.db2.gz PKMPKBODICMERB-MUJYYYPQSA-N 2 1 258.409 3.137 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001169092669 807572234 /nfs/dbraw/zinc/57/22/34/807572234.db2.gz CEQJZKFRHZADRW-RVMXOQNASA-N 2 1 250.411 3.024 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1ccc(F)cc1)C2 ZINC001169094459 807573187 /nfs/dbraw/zinc/57/31/87/807573187.db2.gz LQMJVBIVTZXHIA-BJWYYQGGSA-N 2 1 290.426 3.362 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC1CCC1)C2 ZINC001169115000 807580286 /nfs/dbraw/zinc/58/02/86/807580286.db2.gz GGMZRKLNHHXEBM-MUJYYYPQSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)CC1CCC1)C2 ZINC001169115001 807580842 /nfs/dbraw/zinc/58/08/42/807580842.db2.gz GGMZRKLNHHXEBM-PHZGNYQRSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169112729 807581288 /nfs/dbraw/zinc/58/12/88/807581288.db2.gz SBAGFDDQJCHEBF-QCEMKRCNSA-N 2 1 276.399 3.410 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001169230847 807609598 /nfs/dbraw/zinc/60/95/98/807609598.db2.gz MJVHHUPZYJUHAU-CVEARBPZSA-N 2 1 278.827 3.270 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258792653 807615797 /nfs/dbraw/zinc/61/57/97/807615797.db2.gz IGIULUALXCMRHG-CABCVRRESA-N 2 1 295.471 3.331 20 0 CGADMP CC[N@H+](Cc1cccc(OC)c1)C1CC[NH+](CC)CC1 ZINC001169265709 807619514 /nfs/dbraw/zinc/61/95/14/807619514.db2.gz QBFVMOARHPKDOC-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)C1CC[NH+](CC)CC1 ZINC001169265709 807619516 /nfs/dbraw/zinc/61/95/16/807619516.db2.gz QBFVMOARHPKDOC-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001258811900 807630120 /nfs/dbraw/zinc/63/01/20/807630120.db2.gz ACBGJSPXTWZUKR-CABCVRRESA-N 3 1 283.504 3.040 20 0 CGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001258826302 807641005 /nfs/dbraw/zinc/64/10/05/807641005.db2.gz CLAXOSGXWTYCQT-CJNGLKHVSA-N 2 1 250.430 3.124 20 0 CGADMP CCN1CCO[C@@H]2C[N@H+](C(CC(C)C)CC(C)C)C[C@@H]2C1 ZINC001258835492 807649212 /nfs/dbraw/zinc/64/92/12/807649212.db2.gz SNJZWLCJXZVNCU-FUHWJXTLSA-N 2 1 296.499 3.100 20 0 CGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C(CC(C)C)CC(C)C)C[C@@H]2C1 ZINC001258835492 807649216 /nfs/dbraw/zinc/64/92/16/807649216.db2.gz SNJZWLCJXZVNCU-FUHWJXTLSA-N 2 1 296.499 3.100 20 0 CGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C(CC(C)C)CC(C)C)C[C@@H]2C1 ZINC001258835492 807649221 /nfs/dbraw/zinc/64/92/21/807649221.db2.gz SNJZWLCJXZVNCU-FUHWJXTLSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C(CC(C)C)CC(C)C)C[C@@H]2C1 ZINC001258835492 807649227 /nfs/dbraw/zinc/64/92/27/807649227.db2.gz SNJZWLCJXZVNCU-FUHWJXTLSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@H+](C(CC(C)C)CC(C)C)C[C@@H]2C1 ZINC001258835492 807649232 /nfs/dbraw/zinc/64/92/32/807649232.db2.gz SNJZWLCJXZVNCU-FUHWJXTLSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H](F)C1 ZINC001258907978 807672672 /nfs/dbraw/zinc/67/26/72/807672672.db2.gz PGKMEHQDCFODTC-LSDHHAIUSA-N 2 1 258.425 3.321 20 0 CGADMP CCCCc1nc(NC(C)(C)CC[NH+](C)C)cc(C)[nH+]1 ZINC001169716970 807696615 /nfs/dbraw/zinc/69/66/15/807696615.db2.gz ZFHAHZLDDRWQCZ-UHFFFAOYSA-N 2 1 278.444 3.270 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC001261566688 807757921 /nfs/dbraw/zinc/75/79/21/807757921.db2.gz WFRSQFVKJCUNEC-OAHLLOKOSA-N 2 1 288.439 3.052 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001170118195 807763795 /nfs/dbraw/zinc/76/37/95/807763795.db2.gz QBAASAZZPPEYOS-ZIAGYGMSSA-N 2 1 276.399 3.264 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001170585108 807860023 /nfs/dbraw/zinc/86/00/23/807860023.db2.gz BBKRWMPMJJQDHM-QGZVFWFLSA-N 3 1 285.520 3.338 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001170585108 807860031 /nfs/dbraw/zinc/86/00/31/807860031.db2.gz BBKRWMPMJJQDHM-QGZVFWFLSA-N 3 1 285.520 3.338 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cs1 ZINC001262378792 807863053 /nfs/dbraw/zinc/86/30/53/807863053.db2.gz LQAWNBWXXRHVEH-ARFHVFGLSA-N 2 1 278.465 3.219 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cs1 ZINC001262378795 807863226 /nfs/dbraw/zinc/86/32/26/807863226.db2.gz LQAWNBWXXRHVEH-XHSDSOJGSA-N 2 1 278.465 3.219 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170714850 807882209 /nfs/dbraw/zinc/88/22/09/807882209.db2.gz BWENJUNMKVFVTG-QDMKHBRRSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170714850 807882215 /nfs/dbraw/zinc/88/22/15/807882215.db2.gz BWENJUNMKVFVTG-QDMKHBRRSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cccnc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171612938 808105746 /nfs/dbraw/zinc/10/57/46/808105746.db2.gz AEWVRZLBYWMEIL-UHFFFAOYSA-N 2 1 275.440 3.131 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](F)CC2)CC1(C)C ZINC001171630797 808107459 /nfs/dbraw/zinc/10/74/59/808107459.db2.gz CCGKZALPRJMFTJ-CYBMUJFWSA-N 2 1 270.436 3.462 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@](C)(F)[C@H](F)C2)CC1(C)C ZINC001171630822 808108208 /nfs/dbraw/zinc/10/82/08/808108208.db2.gz CUARFSLTBLMWEW-CJNGLKHVSA-N 2 1 288.426 3.410 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@](C)(F)[C@H](F)C2)CC1(C)C ZINC001171630822 808108212 /nfs/dbraw/zinc/10/82/12/808108212.db2.gz CUARFSLTBLMWEW-CJNGLKHVSA-N 2 1 288.426 3.410 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC1(C)C ZINC001171630992 808108312 /nfs/dbraw/zinc/10/83/12/808108312.db2.gz CUARFSLTBLMWEW-XJKSGUPXSA-N 2 1 288.426 3.410 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC1(C)C ZINC001171630992 808108316 /nfs/dbraw/zinc/10/83/16/808108316.db2.gz CUARFSLTBLMWEW-XJKSGUPXSA-N 2 1 288.426 3.410 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001171673809 808120074 /nfs/dbraw/zinc/12/00/74/808120074.db2.gz YSIFGUNGTVWCCZ-QRQLOZEOSA-N 2 1 286.463 3.200 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001171673809 808120079 /nfs/dbraw/zinc/12/00/79/808120079.db2.gz YSIFGUNGTVWCCZ-QRQLOZEOSA-N 2 1 286.463 3.200 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001171673809 808120081 /nfs/dbraw/zinc/12/00/81/808120081.db2.gz YSIFGUNGTVWCCZ-QRQLOZEOSA-N 2 1 286.463 3.200 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001171739996 808128333 /nfs/dbraw/zinc/12/83/33/808128333.db2.gz AIEUWIAWUZHRHQ-INIZCTEOSA-N 2 1 274.452 3.380 20 0 CGADMP CC(C)[N@@H+]([C@@H]1Cc2cccc(F)c2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171785342 808139456 /nfs/dbraw/zinc/13/94/56/808139456.db2.gz MWJOTPVZEZQQKC-BZUAXINKSA-N 2 1 290.426 3.273 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001171965468 808161372 /nfs/dbraw/zinc/16/13/72/808161372.db2.gz RAFRDYYSLMUZGZ-NWDGAFQWSA-N 2 1 288.357 3.163 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965469 808161762 /nfs/dbraw/zinc/16/17/62/808161762.db2.gz RAFRDYYSLMUZGZ-RYUDHWBXSA-N 2 1 288.357 3.163 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC001172101867 808172219 /nfs/dbraw/zinc/17/22/19/808172219.db2.gz IANJVOLWMNYKRA-QDMKHBRRSA-N 2 1 280.362 3.070 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC001172101867 808172222 /nfs/dbraw/zinc/17/22/22/808172222.db2.gz IANJVOLWMNYKRA-QDMKHBRRSA-N 2 1 280.362 3.070 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100529 808172621 /nfs/dbraw/zinc/17/26/21/808172621.db2.gz DOWUSDUHXSLLPF-DZUCGIPZSA-N 2 1 288.435 3.361 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100529 808172625 /nfs/dbraw/zinc/17/26/25/808172625.db2.gz DOWUSDUHXSLLPF-DZUCGIPZSA-N 2 1 288.435 3.361 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102355 808174023 /nfs/dbraw/zinc/17/40/23/808174023.db2.gz MHGJGDFHKDUVLK-RUGDWHBFSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102355 808174025 /nfs/dbraw/zinc/17/40/25/808174025.db2.gz MHGJGDFHKDUVLK-RUGDWHBFSA-N 2 1 290.426 3.362 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccccc31)C2 ZINC001172103991 808175213 /nfs/dbraw/zinc/17/52/13/808175213.db2.gz YOKWKZRSLGRKKK-XLMAVXFVSA-N 2 1 270.420 3.279 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccccc31)C2 ZINC001172103991 808175216 /nfs/dbraw/zinc/17/52/16/808175216.db2.gz YOKWKZRSLGRKKK-XLMAVXFVSA-N 2 1 270.420 3.279 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172106215 808176118 /nfs/dbraw/zinc/17/61/18/808176118.db2.gz NOCAQMTVSLWGCZ-SFNKJDCFSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172105377 808176969 /nfs/dbraw/zinc/17/69/69/808176969.db2.gz HXJZOPYEELMTDS-FPCVCCKLSA-N 2 1 273.424 3.056 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC3(C1)CC(F)(F)C3)C2 ZINC001172117532 808180969 /nfs/dbraw/zinc/18/09/69/808180969.db2.gz MCUSHMGNFUOFMD-DEZZGGKRSA-N 2 1 284.394 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC3(C1)CC(F)(F)C3)C2 ZINC001172117532 808180974 /nfs/dbraw/zinc/18/09/74/808180974.db2.gz MCUSHMGNFUOFMD-DEZZGGKRSA-N 2 1 284.394 3.169 20 0 CGADMP C[N@H+](CCc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121079 808182366 /nfs/dbraw/zinc/18/23/66/808182366.db2.gz CGOOKXJJRJHGNG-BCDXTJNWSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121079 808182371 /nfs/dbraw/zinc/18/23/71/808182371.db2.gz CGOOKXJJRJHGNG-BCDXTJNWSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121079 808182375 /nfs/dbraw/zinc/18/23/75/808182375.db2.gz CGOOKXJJRJHGNG-BCDXTJNWSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121079 808182378 /nfs/dbraw/zinc/18/23/78/808182378.db2.gz CGOOKXJJRJHGNG-BCDXTJNWSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@H+](Cc1ccc(Cl)nc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120207 808183209 /nfs/dbraw/zinc/18/32/09/808183209.db2.gz ARSDCILSCGDMIX-FICVDOATSA-N 2 1 293.842 3.182 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120207 808183212 /nfs/dbraw/zinc/18/32/12/808183212.db2.gz ARSDCILSCGDMIX-FICVDOATSA-N 2 1 293.842 3.182 20 0 CGADMP C[NH+](Cc1ccc(Cl)nc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120207 808183216 /nfs/dbraw/zinc/18/32/16/808183216.db2.gz ARSDCILSCGDMIX-FICVDOATSA-N 2 1 293.842 3.182 20 0 CGADMP C[NH+](Cc1ccc(Cl)nc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120207 808183219 /nfs/dbraw/zinc/18/32/19/808183219.db2.gz ARSDCILSCGDMIX-FICVDOATSA-N 2 1 293.842 3.182 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@@H]1C ZINC001172380439 808274154 /nfs/dbraw/zinc/27/41/54/808274154.db2.gz SULYOFRUGGDROR-PMPSAXMXSA-N 2 1 264.457 3.229 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172559085 808386556 /nfs/dbraw/zinc/38/65/56/808386556.db2.gz WIFKCVMQPCQQNE-HZPDHXFCSA-N 2 1 269.392 3.283 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+](CC[NH3+])Cc1ccccc1)CC2 ZINC001172824378 808447477 /nfs/dbraw/zinc/44/74/77/808447477.db2.gz VZBZEQRGKZLWPK-HXUWFJFHSA-N 2 1 294.442 3.313 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+](CC[NH3+])Cc1ccccc1)CC2 ZINC001172824378 808447479 /nfs/dbraw/zinc/44/74/79/808447479.db2.gz VZBZEQRGKZLWPK-HXUWFJFHSA-N 2 1 294.442 3.313 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172837564 808453262 /nfs/dbraw/zinc/45/32/62/808453262.db2.gz HGUOAKFLLIJUPY-IBGZPJMESA-N 2 1 286.463 3.268 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929934 808486165 /nfs/dbraw/zinc/48/61/65/808486165.db2.gz PFEYIHVSARXOAU-LEUOFYLZSA-N 2 1 294.483 3.459 20 0 CGADMP CCCOC1CCC([NH+]2CCC([N@@H+](C)CC)CC2)CC1 ZINC001173102926 808510122 /nfs/dbraw/zinc/51/01/22/808510122.db2.gz UMEHRBCTVYTUGU-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cnccc3C2)CC1 ZINC001173109190 808512176 /nfs/dbraw/zinc/51/21/76/808512176.db2.gz ZGIWQWXRXHBQQO-UHFFFAOYSA-N 2 1 287.451 3.093 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](OC)C[C@H]2C)CC1 ZINC001173117000 808516036 /nfs/dbraw/zinc/51/60/36/808516036.db2.gz IBRJCEIYIUMQIJ-VXLLPVPCSA-N 2 1 282.472 3.139 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC001173248267 808555050 /nfs/dbraw/zinc/55/50/50/808555050.db2.gz SZRHJTQKYCQQJQ-INIZCTEOSA-N 2 1 276.468 3.454 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001173251345 808558331 /nfs/dbraw/zinc/55/83/31/808558331.db2.gz AXXFFNPBYBWKPM-QGZVFWFLSA-N 3 1 285.520 3.194 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001173251345 808558334 /nfs/dbraw/zinc/55/83/34/808558334.db2.gz AXXFFNPBYBWKPM-QGZVFWFLSA-N 3 1 285.520 3.194 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)C1 ZINC001173278720 808581278 /nfs/dbraw/zinc/58/12/78/808581278.db2.gz ZRFQNBBEFGXWIZ-FZKCQIBNSA-N 2 1 252.446 3.274 20 0 CGADMP c1ccc2c(Nc3cc[nH+]c4c3CCC4)cc[nH+]c2c1 ZINC001174038430 808836711 /nfs/dbraw/zinc/83/67/11/808836711.db2.gz DWOJKIYJUPMOJK-UHFFFAOYSA-N 2 1 261.328 3.284 20 0 CGADMP CCCCCC[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001275125792 808913257 /nfs/dbraw/zinc/91/32/57/808913257.db2.gz AJLXYPCDZVYQJK-ZWKOTPCHSA-N 2 1 295.515 3.153 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001275198731 808921681 /nfs/dbraw/zinc/92/16/81/808921681.db2.gz CPMHZALZBYOWDM-HXUWFJFHSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001275198731 808921685 /nfs/dbraw/zinc/92/16/85/808921685.db2.gz CPMHZALZBYOWDM-HXUWFJFHSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001275198731 808921688 /nfs/dbraw/zinc/92/16/88/808921688.db2.gz CPMHZALZBYOWDM-HXUWFJFHSA-N 2 1 298.474 3.483 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cccc(Cl)n3)CC2)C1 ZINC001275330625 808929452 /nfs/dbraw/zinc/92/94/52/808929452.db2.gz LRZFZUUOWUNLIY-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc(Cl)n3)CC2)C1 ZINC001275330625 808929456 /nfs/dbraw/zinc/92/94/56/808929456.db2.gz LRZFZUUOWUNLIY-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP COc1[nH+]ccc(N)c1Nc1cc[nH+]c(C(C)(C)C)c1 ZINC001213162643 815248208 /nfs/dbraw/zinc/24/82/08/815248208.db2.gz HCJYOUCESNFGEO-UHFFFAOYSA-N 2 1 272.352 3.109 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@H]2CC1 ZINC001275533297 808945776 /nfs/dbraw/zinc/94/57/76/808945776.db2.gz JFGJYSXICQKTKV-HDICACEKSA-N 2 1 298.474 3.339 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@H]2CC1 ZINC001275533297 808945783 /nfs/dbraw/zinc/94/57/83/808945783.db2.gz JFGJYSXICQKTKV-HDICACEKSA-N 2 1 298.474 3.339 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@H]2CC1 ZINC001275533297 808945790 /nfs/dbraw/zinc/94/57/90/808945790.db2.gz JFGJYSXICQKTKV-HDICACEKSA-N 2 1 298.474 3.339 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275835068 808969651 /nfs/dbraw/zinc/96/96/51/808969651.db2.gz LBNGZJDAWFIKKL-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275835068 808969652 /nfs/dbraw/zinc/96/96/52/808969652.db2.gz LBNGZJDAWFIKKL-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001275835068 808969656 /nfs/dbraw/zinc/96/96/56/808969656.db2.gz LBNGZJDAWFIKKL-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001275835068 808969660 /nfs/dbraw/zinc/96/96/60/808969660.db2.gz LBNGZJDAWFIKKL-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cncc4ccccc43)C[C@H]2CC1 ZINC001275843737 808971363 /nfs/dbraw/zinc/97/13/63/808971363.db2.gz SQOYCLCJJGXLSP-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@H]2CC1 ZINC001275843737 808971366 /nfs/dbraw/zinc/97/13/66/808971366.db2.gz SQOYCLCJJGXLSP-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cncc4ccccc43)C[C@H]2CC1 ZINC001275843737 808971369 /nfs/dbraw/zinc/97/13/69/808971369.db2.gz SQOYCLCJJGXLSP-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(SC)cc1 ZINC001275902436 808974432 /nfs/dbraw/zinc/97/44/32/808974432.db2.gz YUNNPOXNZCLBIP-GOOCMWNKSA-N 2 1 276.449 3.123 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(SC)cc1 ZINC001275902436 808974434 /nfs/dbraw/zinc/97/44/34/808974434.db2.gz YUNNPOXNZCLBIP-GOOCMWNKSA-N 2 1 276.449 3.123 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)[nH]c2ccccc21 ZINC001275957505 808979439 /nfs/dbraw/zinc/97/94/39/808979439.db2.gz ZZXSJFVCSAJUDI-GOOCMWNKSA-N 2 1 283.419 3.191 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC001276228587 808994553 /nfs/dbraw/zinc/99/45/53/808994553.db2.gz ZHYFNNMDGUGLNB-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC001276228587 808994555 /nfs/dbraw/zinc/99/45/55/808994555.db2.gz ZHYFNNMDGUGLNB-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(F)F)c1 ZINC001276618919 809023057 /nfs/dbraw/zinc/02/30/57/809023057.db2.gz UNELAEIHEIVSPK-GOOCMWNKSA-N 2 1 280.362 3.339 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)F)c1 ZINC001276618919 809023063 /nfs/dbraw/zinc/02/30/63/809023063.db2.gz UNELAEIHEIVSPK-GOOCMWNKSA-N 2 1 280.362 3.339 20 0 CGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCCF)Cc1ccccc12 ZINC001278206791 809119575 /nfs/dbraw/zinc/11/95/75/809119575.db2.gz JEPVWZALYBKSIE-UHFFFAOYSA-N 2 1 290.426 3.215 20 0 CGADMP C[NH+]1CCC(c2ccc(NC3=CCC[N@@H+](C)C3)cc2)CC1 ZINC001175576797 809458232 /nfs/dbraw/zinc/45/82/32/809458232.db2.gz UCDWSMWLBAEZJH-UHFFFAOYSA-N 2 1 285.435 3.127 20 0 CGADMP CCc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC001175668601 809499401 /nfs/dbraw/zinc/49/94/01/809499401.db2.gz DNVXNBCPHXRAGH-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(COC)CC1 ZINC001177743809 809818494 /nfs/dbraw/zinc/81/84/94/809818494.db2.gz OFPDEOSDWHGOJM-ABHNRTSZSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(COC)CC1 ZINC001177743809 809818500 /nfs/dbraw/zinc/81/85/00/809818500.db2.gz OFPDEOSDWHGOJM-ABHNRTSZSA-N 2 1 296.499 3.436 20 0 CGADMP CCc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)s1 ZINC001179082348 809903958 /nfs/dbraw/zinc/90/39/58/809903958.db2.gz XGQWJGFERHHTBO-UHFFFAOYSA-N 2 1 268.470 3.378 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC(C)(C)F ZINC001179316567 809915330 /nfs/dbraw/zinc/91/53/30/809915330.db2.gz ZQIGKIFPGKHGCW-UHFFFAOYSA-N 2 1 280.431 3.482 20 0 CGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)F ZINC001179316567 809915334 /nfs/dbraw/zinc/91/53/34/809915334.db2.gz ZQIGKIFPGKHGCW-UHFFFAOYSA-N 2 1 280.431 3.482 20 0 CGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)F ZINC001179316567 809915337 /nfs/dbraw/zinc/91/53/37/809915337.db2.gz ZQIGKIFPGKHGCW-UHFFFAOYSA-N 2 1 280.431 3.482 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)F ZINC001179316567 809915340 /nfs/dbraw/zinc/91/53/40/809915340.db2.gz ZQIGKIFPGKHGCW-UHFFFAOYSA-N 2 1 280.431 3.482 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(OC)CCCCCC2)C1 ZINC001179855675 809951249 /nfs/dbraw/zinc/95/12/49/809951249.db2.gz YYDXEBHSKXVFSF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(OC)CCCCCC2)C1 ZINC001179855675 809951256 /nfs/dbraw/zinc/95/12/56/809951256.db2.gz YYDXEBHSKXVFSF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2(OC)CCCCCC2)C1 ZINC001179855675 809951264 /nfs/dbraw/zinc/95/12/64/809951264.db2.gz YYDXEBHSKXVFSF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3ccccc3[C@@H](C)C2)CC1 ZINC001182734630 810122465 /nfs/dbraw/zinc/12/24/65/810122465.db2.gz YAQMBVNAMIXYEA-INIZCTEOSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)CCc1ccc(F)cc1F ZINC001184196450 810181682 /nfs/dbraw/zinc/18/16/82/810181682.db2.gz HISNSURVWSDGTE-UHFFFAOYSA-N 2 1 284.394 3.027 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCc1ccc(F)cc1F ZINC001184196450 810181684 /nfs/dbraw/zinc/18/16/84/810181684.db2.gz HISNSURVWSDGTE-UHFFFAOYSA-N 2 1 284.394 3.027 20 0 CGADMP CCc1ccccc1CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001196630983 811356475 /nfs/dbraw/zinc/35/64/75/811356475.db2.gz BZVNOSVZSLFYMK-RTBURBONSA-N 2 1 286.463 3.065 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H](C)CC[NH+](C)C)oc2cc1C ZINC001199906728 811608599 /nfs/dbraw/zinc/60/85/99/811608599.db2.gz OCPSVWCALRLEOX-AWEZNQCLSA-N 2 1 274.408 3.479 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001199924221 811613317 /nfs/dbraw/zinc/61/33/17/811613317.db2.gz DFCGJMGOJWIXDW-KBPBESRZSA-N 2 1 261.413 3.064 20 0 CGADMP Cc1[nH+]c2ccccn2c1Nc1cccc(C[NH+](C)C)c1 ZINC001201392329 811826192 /nfs/dbraw/zinc/82/61/92/811826192.db2.gz ACVHKWUEKPTTKC-UHFFFAOYSA-N 2 1 280.375 3.448 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1CCC(F)(F)F ZINC001202353018 812069961 /nfs/dbraw/zinc/06/99/61/812069961.db2.gz XBSRLUJZUXUXTM-STQMWFEESA-N 2 1 278.362 3.278 20 0 CGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCC(F)(F)F ZINC001202353018 812069969 /nfs/dbraw/zinc/06/99/69/812069969.db2.gz XBSRLUJZUXUXTM-STQMWFEESA-N 2 1 278.362 3.278 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCC(F)(F)F ZINC001202353018 812069975 /nfs/dbraw/zinc/06/99/75/812069975.db2.gz XBSRLUJZUXUXTM-STQMWFEESA-N 2 1 278.362 3.278 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC001202353018 812069981 /nfs/dbraw/zinc/06/99/81/812069981.db2.gz XBSRLUJZUXUXTM-STQMWFEESA-N 2 1 278.362 3.278 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC001202353018 812069985 /nfs/dbraw/zinc/06/99/85/812069985.db2.gz XBSRLUJZUXUXTM-STQMWFEESA-N 2 1 278.362 3.278 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001203033353 812221688 /nfs/dbraw/zinc/22/16/88/812221688.db2.gz WVCFBTBLWWAKRD-ZSHCYNCHSA-N 2 1 254.462 3.379 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(SC)cc3)C[C@@H]2C1 ZINC001204146695 812557028 /nfs/dbraw/zinc/55/70/28/812557028.db2.gz QDCOJIMDYNCDSM-HOTGVXAUSA-N 2 1 290.476 3.182 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001204168228 812563043 /nfs/dbraw/zinc/56/30/43/812563043.db2.gz KLNASFTXXMKPNR-ZWKOTPCHSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)c1ccc(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001204168228 812563046 /nfs/dbraw/zinc/56/30/46/812563046.db2.gz KLNASFTXXMKPNR-ZWKOTPCHSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)c1ccc(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001204168228 812563049 /nfs/dbraw/zinc/56/30/49/812563049.db2.gz KLNASFTXXMKPNR-ZWKOTPCHSA-N 2 1 272.436 3.336 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(CC)cc3)C[C@@H]2C1 ZINC001204179633 812568099 /nfs/dbraw/zinc/56/80/99/812568099.db2.gz WORPUCOMZLCDRL-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(CC)cc3)C[C@@H]2C1 ZINC001204179633 812568105 /nfs/dbraw/zinc/56/81/05/812568105.db2.gz WORPUCOMZLCDRL-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(CC)cc3)C[C@@H]2C1 ZINC001204179633 812568109 /nfs/dbraw/zinc/56/81/09/812568109.db2.gz WORPUCOMZLCDRL-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC001204591567 812683067 /nfs/dbraw/zinc/68/30/67/812683067.db2.gz GSJNSNBONAHGQN-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204611154 812690376 /nfs/dbraw/zinc/69/03/76/812690376.db2.gz BUSKLTDWSZDNOZ-UHFFFAOYSA-N 2 1 280.415 3.354 20 0 CGADMP C[N@@H+](CCCC[NH3+])C(c1ccccc1)c1ccccc1 ZINC001204646355 812700649 /nfs/dbraw/zinc/70/06/49/812700649.db2.gz QFMSKMAUAHDRFT-UHFFFAOYSA-N 2 1 268.404 3.447 20 0 CGADMP Cc1cccc(C[N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)c1 ZINC001204848900 812753996 /nfs/dbraw/zinc/75/39/96/812753996.db2.gz VKOLTKVJSHXCJQ-UHFFFAOYSA-N 2 1 272.436 3.207 20 0 CGADMP C[NH2+]CCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204869621 812759086 /nfs/dbraw/zinc/75/90/86/812759086.db2.gz GAFYNDHIYCJBLO-UHFFFAOYSA-N 2 1 264.800 3.039 20 0 CGADMP C[NH2+]CCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204869621 812759093 /nfs/dbraw/zinc/75/90/93/812759093.db2.gz GAFYNDHIYCJBLO-UHFFFAOYSA-N 2 1 264.800 3.039 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001204939814 812787913 /nfs/dbraw/zinc/78/79/13/812787913.db2.gz UIZFKNANNOTNAN-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001204939814 812787920 /nfs/dbraw/zinc/78/79/20/812787920.db2.gz UIZFKNANNOTNAN-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2ccccc21 ZINC001205064665 812842596 /nfs/dbraw/zinc/84/25/96/812842596.db2.gz UUZRXZZDSXSRRD-BBRMVZONSA-N 2 1 254.377 3.151 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2ccccc21 ZINC001205064665 812842603 /nfs/dbraw/zinc/84/26/03/812842603.db2.gz UUZRXZZDSXSRRD-BBRMVZONSA-N 2 1 254.377 3.151 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001205101688 812864620 /nfs/dbraw/zinc/86/46/20/812864620.db2.gz JDSLNBJSVJMUAJ-MRXNPFEDSA-N 2 1 297.402 3.187 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001205101688 812864628 /nfs/dbraw/zinc/86/46/28/812864628.db2.gz JDSLNBJSVJMUAJ-MRXNPFEDSA-N 2 1 297.402 3.187 20 0 CGADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205109905 812870356 /nfs/dbraw/zinc/87/03/56/812870356.db2.gz MRZUYGYIXHAUNH-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205109905 812870364 /nfs/dbraw/zinc/87/03/64/812870364.db2.gz MRZUYGYIXHAUNH-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001205164960 812894677 /nfs/dbraw/zinc/89/46/77/812894677.db2.gz YERWBZJMGWLJHA-WWGRRREGSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC001205164960 812894687 /nfs/dbraw/zinc/89/46/87/812894687.db2.gz YERWBZJMGWLJHA-WWGRRREGSA-N 2 1 294.389 3.097 20 0 CGADMP Cc1cccc2c1CC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001205164899 812895631 /nfs/dbraw/zinc/89/56/31/812895631.db2.gz VDRFHXJPALYOCI-UHFFFAOYSA-N 2 1 298.455 3.261 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@](C)([NH3+])CC2)o1 ZINC001205255757 812919453 /nfs/dbraw/zinc/91/94/53/812919453.db2.gz KOJMNBJEBLUHGA-CZUORRHYSA-N 2 1 264.413 3.285 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2Br)CC1 ZINC001205256884 812919511 /nfs/dbraw/zinc/91/95/11/812919511.db2.gz RNUWSHYGCZZQSP-AWEZNQCLSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2Br)CC1 ZINC001205256884 812919512 /nfs/dbraw/zinc/91/95/12/812919512.db2.gz RNUWSHYGCZZQSP-AWEZNQCLSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2-c2cccnc2)CC1 ZINC001205273291 812924277 /nfs/dbraw/zinc/92/42/77/812924277.db2.gz JSFRWNCUJHQCFN-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001205273087 812924950 /nfs/dbraw/zinc/92/49/50/812924950.db2.gz DRORTPDSTCJTAV-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205281786 812929793 /nfs/dbraw/zinc/92/97/93/812929793.db2.gz XYGCYPPSESMFRU-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205281786 812929797 /nfs/dbraw/zinc/92/97/97/812929797.db2.gz XYGCYPPSESMFRU-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205288018 812931907 /nfs/dbraw/zinc/93/19/07/812931907.db2.gz FPJBHBUFTQMASZ-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c3ccoc3ccc2F)CC1 ZINC001205296347 812937111 /nfs/dbraw/zinc/93/71/11/812937111.db2.gz MYHRUHAJVIBLHR-MRXNPFEDSA-N 2 1 276.355 3.275 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC001205303629 812941789 /nfs/dbraw/zinc/94/17/89/812941789.db2.gz IWZJAGMSTXQAKJ-HOCLYGCPSA-N 2 1 274.452 3.401 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C[C@@H]1C[NH3+] ZINC001205303992 812942261 /nfs/dbraw/zinc/94/22/61/812942261.db2.gz MLVZCDARCHQIOY-NEPJUHHUSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306324 812944215 /nfs/dbraw/zinc/94/42/15/812944215.db2.gz VJVSUMKUFPVLKY-WBVHZDCISA-N 2 1 290.451 3.199 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1C[NH3+] ZINC001205317172 812949115 /nfs/dbraw/zinc/94/91/15/812949115.db2.gz MYXGQIVZGMRMQX-KSSFIOAISA-N 2 1 272.436 3.371 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(C)c1Cl ZINC001205315784 812949611 /nfs/dbraw/zinc/94/96/11/812949611.db2.gz GYLLOMOXXHPYEU-IAQYHMDHSA-N 2 1 280.843 3.374 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C[C@H]1C[NH3+] ZINC001205318191 812950977 /nfs/dbraw/zinc/95/09/77/812950977.db2.gz SRTXPKRHJHPPEC-SWLSCSKDSA-N 2 1 276.399 3.120 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559880 813002492 /nfs/dbraw/zinc/00/24/92/813002492.db2.gz WPJXTMUHLMPCMV-KRWDZBQOSA-N 2 1 294.414 3.128 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc(C)c1F ZINC001205571243 813007377 /nfs/dbraw/zinc/00/73/77/813007377.db2.gz RWDRWZXRHLYVMG-MRXNPFEDSA-N 2 1 282.378 3.095 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205602079 813016940 /nfs/dbraw/zinc/01/69/40/813016940.db2.gz HSGDXHHTOOGPCS-RDJZCZTQSA-N 2 1 290.451 3.282 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205602076 813017833 /nfs/dbraw/zinc/01/78/33/813017833.db2.gz HSGDXHHTOOGPCS-NVXWUHKLSA-N 2 1 290.451 3.282 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205600918 813018117 /nfs/dbraw/zinc/01/81/17/813018117.db2.gz CLTLOXOTRUBPFV-DZGCQCFKSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205600074 813018638 /nfs/dbraw/zinc/01/86/38/813018638.db2.gz BFXGGZIQYAITEU-AEFFLSMTSA-N 2 1 274.452 3.316 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205603945 813019760 /nfs/dbraw/zinc/01/97/60/813019760.db2.gz SOWHEFDYEMQZAI-RDJZCZTQSA-N 2 1 290.451 3.281 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205603944 813020293 /nfs/dbraw/zinc/02/02/93/813020293.db2.gz SOWHEFDYEMQZAI-NVXWUHKLSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC[C@@H]1C[NH3+] ZINC001205617149 813026827 /nfs/dbraw/zinc/02/68/27/813026827.db2.gz HTZVCVIYBKJYBV-RDTXWAMCSA-N 2 1 298.430 3.352 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c[nH]c2c1 ZINC001205618943 813028431 /nfs/dbraw/zinc/02/84/31/813028431.db2.gz ZKXKXHLLGPNXCF-CABCVRRESA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CC[C@@H]1C[NH3+] ZINC001205618100 813028522 /nfs/dbraw/zinc/02/85/22/813028522.db2.gz RKBWSIYLGKZQFO-UONOGXRCSA-N 2 1 277.456 3.119 20 0 CGADMP CCn1ccc2ccc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)cc21 ZINC001205618009 813028878 /nfs/dbraw/zinc/02/88/78/813028878.db2.gz QOOJNVNUGSOJAB-YJBOKZPZSA-N 2 1 299.462 3.468 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)CC[C@H]1C[NH3+] ZINC001205617945 813029124 /nfs/dbraw/zinc/02/91/24/813029124.db2.gz PPQQYXDYLUIHJT-YOEHRIQHSA-N 2 1 283.419 3.042 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)c1 ZINC001205625966 813031689 /nfs/dbraw/zinc/03/16/89/813031689.db2.gz DAUWUJOKDAGGBD-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2coc3ccc(F)cc23)CC[C@@H]1C[NH3+] ZINC001205627399 813033336 /nfs/dbraw/zinc/03/33/36/813033336.db2.gz PGNMTAMWLLGDQM-QWHCGFSZSA-N 2 1 290.382 3.379 20 0 CGADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1C ZINC001205651408 813041599 /nfs/dbraw/zinc/04/15/99/813041599.db2.gz DVGQCCVILRWQEM-YOEHRIQHSA-N 2 1 290.451 3.201 20 0 CGADMP CCc1cccc2c(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205815154 813091490 /nfs/dbraw/zinc/09/14/90/813091490.db2.gz FOBAAZWOLNODME-CJNGLKHVSA-N 2 1 285.435 3.290 20 0 CGADMP CCc1cccc2c(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205815154 813091499 /nfs/dbraw/zinc/09/14/99/813091499.db2.gz FOBAAZWOLNODME-CJNGLKHVSA-N 2 1 285.435 3.290 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205829998 813100784 /nfs/dbraw/zinc/10/07/84/813100784.db2.gz QNKFIWNTWZPLDR-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205829998 813100786 /nfs/dbraw/zinc/10/07/86/813100786.db2.gz QNKFIWNTWZPLDR-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc3sccc32)C1 ZINC001205839727 813104647 /nfs/dbraw/zinc/10/46/47/813104647.db2.gz FYTAQRUQHNTYPQ-TZMCWYRMSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc3sccc32)C1 ZINC001205839727 813104649 /nfs/dbraw/zinc/10/46/49/813104649.db2.gz FYTAQRUQHNTYPQ-TZMCWYRMSA-N 2 1 274.433 3.461 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205901068 813122425 /nfs/dbraw/zinc/12/24/25/813122425.db2.gz BASSNYFGLCIWER-RDJZCZTQSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205901592 813123118 /nfs/dbraw/zinc/12/31/18/813123118.db2.gz DMYUKNJGMQJABA-WDEREUQCSA-N 2 1 272.845 3.269 20 0 CGADMP Cc1csc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205901592 813123120 /nfs/dbraw/zinc/12/31/20/813123120.db2.gz DMYUKNJGMQJABA-WDEREUQCSA-N 2 1 272.845 3.269 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001205904429 813126492 /nfs/dbraw/zinc/12/64/92/813126492.db2.gz VDNJPQZTSOKJSW-WCQYABFASA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001205904429 813126494 /nfs/dbraw/zinc/12/64/94/813126494.db2.gz VDNJPQZTSOKJSW-WCQYABFASA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccc(F)cc1Cl ZINC001205904923 813128310 /nfs/dbraw/zinc/12/83/10/813128310.db2.gz YMXBTTLBUDGOCZ-WCQYABFASA-N 2 1 284.806 3.081 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(CC)c1O ZINC001205913707 813131116 /nfs/dbraw/zinc/13/11/16/813131116.db2.gz JFYXHAOOEIXOIY-CXAGYDPISA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1coc2ccc(F)cc12 ZINC001205915228 813131478 /nfs/dbraw/zinc/13/14/78/813131478.db2.gz OWVFLZSDCJBYQV-VXGBXAGGSA-N 2 1 276.355 3.131 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCC[C@H]1C[NH3+] ZINC001205992083 813155788 /nfs/dbraw/zinc/15/57/88/813155788.db2.gz DIVMNSATVBLYHD-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCC[C@H]1C[NH3+] ZINC001205994674 813157182 /nfs/dbraw/zinc/15/71/82/813157182.db2.gz LSWRHKJSAZOMRJ-YOEHRIQHSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)ccc2c1 ZINC001205996777 813158529 /nfs/dbraw/zinc/15/85/29/813158529.db2.gz YHVGPRYVYWOSOE-RDJZCZTQSA-N 2 1 297.446 3.350 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206004056 813161437 /nfs/dbraw/zinc/16/14/37/813161437.db2.gz PJZVUJHKDPUISM-HZPDHXFCSA-N 2 1 290.451 3.282 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)cc1F ZINC001206011608 813163940 /nfs/dbraw/zinc/16/39/40/813163940.db2.gz FJSNTFUCOJDIQL-OLZOCXBDSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206013554 813164859 /nfs/dbraw/zinc/16/48/59/813164859.db2.gz SHMFYIYELREOTF-FZMZJTMJSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206012766 813165268 /nfs/dbraw/zinc/16/52/68/813165268.db2.gz NQFMTSXDBODJDF-KDOFPFPSSA-N 2 1 272.436 3.371 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccnc(C(C)(C)C)c2)CCC[C@@H]1C[NH3+] ZINC001206014058 813166584 /nfs/dbraw/zinc/16/65/84/813166584.db2.gz VUOXCYIXKYMOKB-GOEBONIOSA-N 2 1 289.467 3.186 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ncsc3c2)CCC[C@H]1C[NH3+] ZINC001206014248 813166670 /nfs/dbraw/zinc/16/66/70/813166670.db2.gz WHDLRGVNPPMIFJ-OCCSQVGLSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(O)cc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206024374 813168820 /nfs/dbraw/zinc/16/88/20/813168820.db2.gz JBPKTZSTGVTCKD-GOEBONIOSA-N 2 1 298.430 3.352 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206023829 813169233 /nfs/dbraw/zinc/16/92/33/813169233.db2.gz GUJLVHDYHJLQEH-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3cccc(F)c3[nH]2)CCC[C@@H]1C[NH3+] ZINC001206025177 813170806 /nfs/dbraw/zinc/17/08/06/813170806.db2.gz MQJJRVDPNBXKOU-GXTWGEPZSA-N 2 1 289.398 3.114 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206036836 813175237 /nfs/dbraw/zinc/17/52/37/813175237.db2.gz RGFDXLMQDFHHAT-JKSUJKDBSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)c[nH]2)CCC[C@H]1C[NH3+] ZINC001206035050 813176057 /nfs/dbraw/zinc/17/60/57/813176057.db2.gz BKCKHJRQMYIHAK-KBPBESRZSA-N 2 1 277.456 3.119 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)cccc2n1 ZINC001206036391 813176066 /nfs/dbraw/zinc/17/60/66/813176066.db2.gz JAMIFDMZIXXLPS-ZBFHGGJFSA-N 2 1 297.446 3.350 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001206075341 813192180 /nfs/dbraw/zinc/19/21/80/813192180.db2.gz HDSGQCJNRRLDCM-AUUYWEPGSA-N 2 1 280.415 3.441 20 0 CGADMP Cc1c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001206075341 813192183 /nfs/dbraw/zinc/19/21/83/813192183.db2.gz HDSGQCJNRRLDCM-AUUYWEPGSA-N 2 1 280.415 3.441 20 0 CGADMP N[C@@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)CC[C@@H]1F ZINC001206152630 813214690 /nfs/dbraw/zinc/21/46/90/813214690.db2.gz ADHFVNJTVIXNNO-DLBZAZTESA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CC2(c3ccccc3)CCCC2)CC[C@@H]1F ZINC001206152630 813214693 /nfs/dbraw/zinc/21/46/93/813214693.db2.gz ADHFVNJTVIXNNO-DLBZAZTESA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)CC[C@@H]1F ZINC001206152630 813214696 /nfs/dbraw/zinc/21/46/96/813214696.db2.gz ADHFVNJTVIXNNO-DLBZAZTESA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cccc(Cl)c23)CC[C@H]1F ZINC001206173115 813226133 /nfs/dbraw/zinc/22/61/33/813226133.db2.gz FBWWVXZTBXKCCT-CHWSQXEVSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC[C@H]1F ZINC001206173115 813226138 /nfs/dbraw/zinc/22/61/38/813226138.db2.gz FBWWVXZTBXKCCT-CHWSQXEVSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)CC[C@H]1F ZINC001206176103 813227175 /nfs/dbraw/zinc/22/71/75/813227175.db2.gz YBQPVEIEUPZBBV-SJORKVTESA-N 2 1 290.357 3.240 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1F ZINC001206188924 813233723 /nfs/dbraw/zinc/23/37/23/813233723.db2.gz WGJLOQXGKNUNFB-DLBZAZTESA-N 2 1 299.393 3.010 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C)c1Cl ZINC001206212516 813242554 /nfs/dbraw/zinc/24/25/54/813242554.db2.gz RWVWSZWNKYGSEG-KGLIPLIRSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C)c1Cl ZINC001206212516 813242559 /nfs/dbraw/zinc/24/25/59/813242559.db2.gz RWVWSZWNKYGSEG-KGLIPLIRSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C)c1Cl ZINC001206212515 813242569 /nfs/dbraw/zinc/24/25/69/813242569.db2.gz RWVWSZWNKYGSEG-KBPBESRZSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C)c1Cl ZINC001206212515 813242573 /nfs/dbraw/zinc/24/25/73/813242573.db2.gz RWVWSZWNKYGSEG-KBPBESRZSA-N 2 1 284.806 3.218 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001206263250 813262465 /nfs/dbraw/zinc/26/24/65/813262465.db2.gz SSXVGMYZYMFZBT-HNNXBMFYSA-N 2 1 292.426 3.442 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001206263250 813262466 /nfs/dbraw/zinc/26/24/66/813262466.db2.gz SSXVGMYZYMFZBT-HNNXBMFYSA-N 2 1 292.426 3.442 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c(C)c1C ZINC001206278164 813268376 /nfs/dbraw/zinc/26/83/76/813268376.db2.gz ZIZUZJFWXSOZRS-LBPRGKRZSA-N 2 1 274.452 3.270 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206292465 813274974 /nfs/dbraw/zinc/27/49/74/813274974.db2.gz BKAPMJNXGMJQRZ-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206305116 813282098 /nfs/dbraw/zinc/28/20/98/813282098.db2.gz UAPIGLYCNKASNE-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001206305245 813282310 /nfs/dbraw/zinc/28/23/10/813282310.db2.gz XBVCXKFENYCLFH-GOSISDBHSA-N 2 1 299.418 3.293 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001206318801 813286946 /nfs/dbraw/zinc/28/69/46/813286946.db2.gz UMGSMKCOAJONKS-LJQANCHMSA-N 2 1 297.446 3.428 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001206335211 813292956 /nfs/dbraw/zinc/29/29/56/813292956.db2.gz CNHZOLQIBLVBAZ-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)o1 ZINC001206338275 813294152 /nfs/dbraw/zinc/29/41/52/813294152.db2.gz YXFJHDPSGPOZDC-CZUORRHYSA-N 2 1 282.403 3.235 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@](F)(C[NH3+])C2)o1 ZINC001206338275 813294156 /nfs/dbraw/zinc/29/41/56/813294156.db2.gz YXFJHDPSGPOZDC-CZUORRHYSA-N 2 1 282.403 3.235 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001206542205 813343992 /nfs/dbraw/zinc/34/39/92/813343992.db2.gz UVTPVCFQXYPULJ-CQSZACIVSA-N 2 1 274.399 3.263 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206564938 813354261 /nfs/dbraw/zinc/35/42/61/813354261.db2.gz RWQQNTFQYWMXKB-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1c(F)cccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206582928 813362149 /nfs/dbraw/zinc/36/21/49/813362149.db2.gz QFYCESZHZBPGHY-INIZCTEOSA-N 2 1 278.415 3.487 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1F ZINC001206584211 813364032 /nfs/dbraw/zinc/36/40/32/813364032.db2.gz XPRBZUNBESICQW-INIZCTEOSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)[N@H+](Cc1ccc(O)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206592140 813366677 /nfs/dbraw/zinc/36/66/77/813366677.db2.gz XPZVNULEZAGOGF-CQSZACIVSA-N 2 1 296.842 3.398 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(O)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206592140 813366686 /nfs/dbraw/zinc/36/66/86/813366686.db2.gz XPZVNULEZAGOGF-CQSZACIVSA-N 2 1 296.842 3.398 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001206632823 813380888 /nfs/dbraw/zinc/38/08/88/813380888.db2.gz OMNLXLXMZOULHQ-OAHLLOKOSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C[NH+](C)C)cc1 ZINC001206736178 813412163 /nfs/dbraw/zinc/41/21/63/813412163.db2.gz GEVGFYFRHYUKEP-UHFFFAOYSA-N 2 1 284.407 3.261 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206806675 813441145 /nfs/dbraw/zinc/44/11/45/813441145.db2.gz HEROSNSZAQVFQW-KGLIPLIRSA-N 2 1 278.465 3.276 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CCN3CCC2CC3)cc1 ZINC001207191961 813512555 /nfs/dbraw/zinc/51/25/55/813512555.db2.gz NXYWSIYDNBSPFV-YOEHRIQHSA-N 2 1 290.838 3.224 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2CN2CC[NH+]3CCC2CC3)cc1 ZINC001207191961 813512562 /nfs/dbraw/zinc/51/25/62/813512562.db2.gz NXYWSIYDNBSPFV-YOEHRIQHSA-N 2 1 290.838 3.224 20 0 CGADMP CC1=CC[C@H](CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC001207267623 813526750 /nfs/dbraw/zinc/52/67/50/813526750.db2.gz GONWWNBBMLRLSP-OAHLLOKOSA-N 2 1 264.457 3.395 20 0 CGADMP CC1=CC[C@H](CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC001207267623 813526751 /nfs/dbraw/zinc/52/67/51/813526751.db2.gz GONWWNBBMLRLSP-OAHLLOKOSA-N 2 1 264.457 3.395 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)cn1 ZINC001207282815 813533161 /nfs/dbraw/zinc/53/31/61/813533161.db2.gz PWIDLTFKHOZICB-INIZCTEOSA-N 2 1 275.440 3.115 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)cn1 ZINC001207282815 813533165 /nfs/dbraw/zinc/53/31/65/813533165.db2.gz PWIDLTFKHOZICB-INIZCTEOSA-N 2 1 275.440 3.115 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286791 813536766 /nfs/dbraw/zinc/53/67/66/813536766.db2.gz MLDPMEXEKLHPTE-INIZCTEOSA-N 2 1 272.436 3.240 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CC1CCC(F)(F)CC1 ZINC001207349961 813547291 /nfs/dbraw/zinc/54/72/91/813547291.db2.gz VURFZPOPGQOJFS-UHFFFAOYSA-N 2 1 276.415 3.476 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](CCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207425456 813561689 /nfs/dbraw/zinc/56/16/89/813561689.db2.gz MTXKLEUANXLNFG-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207425456 813561696 /nfs/dbraw/zinc/56/16/96/813561696.db2.gz MTXKLEUANXLNFG-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207425456 813561699 /nfs/dbraw/zinc/56/16/99/813561699.db2.gz MTXKLEUANXLNFG-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207425456 813561703 /nfs/dbraw/zinc/56/17/03/813561703.db2.gz MTXKLEUANXLNFG-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC1CC[NH2+]CC1 ZINC001207439639 813564881 /nfs/dbraw/zinc/56/48/81/813564881.db2.gz WQBGHEQJWXFYFD-SJORKVTESA-N 2 1 282.472 3.249 20 0 CGADMP Fc1cc(F)cc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC001207441438 813565889 /nfs/dbraw/zinc/56/58/89/813565889.db2.gz BYMOFFQQSSHKLP-MRXNPFEDSA-N 2 1 280.362 3.101 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001207520796 813585285 /nfs/dbraw/zinc/58/52/85/813585285.db2.gz JQFJCSIFQLFZCQ-MOPGFXCFSA-N 2 1 286.463 3.236 20 0 CGADMP CC(C)c1ccc(CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001207520796 813585290 /nfs/dbraw/zinc/58/52/90/813585290.db2.gz JQFJCSIFQLFZCQ-MOPGFXCFSA-N 2 1 286.463 3.236 20 0 CGADMP CC(C)c1ccc(CC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001207520796 813585293 /nfs/dbraw/zinc/58/52/93/813585293.db2.gz JQFJCSIFQLFZCQ-MOPGFXCFSA-N 2 1 286.463 3.236 20 0 CGADMP CC[N@@H+](CC[C@H](C)CCCC(C)(C)O)C1CCN(C)CC1 ZINC001207671094 813630321 /nfs/dbraw/zinc/63/03/21/813630321.db2.gz RREKMHATFXFSMW-MRXNPFEDSA-N 2 1 298.515 3.370 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)CCC1(F)F ZINC001208106396 813692764 /nfs/dbraw/zinc/69/27/64/813692764.db2.gz FAEGVYLJDVJZQD-CYBMUJFWSA-N 2 1 274.399 3.086 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)cn1 ZINC001208108226 813694884 /nfs/dbraw/zinc/69/48/84/813694884.db2.gz BNDIMHNZRQSZST-KRWDZBQOSA-N 2 1 287.451 3.259 20 0 CGADMP CS[C@H](C)CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001208140217 813705565 /nfs/dbraw/zinc/70/55/65/813705565.db2.gz DVEKGPGUPUYDFT-CVEARBPZSA-N 2 1 284.513 3.468 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001208160132 813717994 /nfs/dbraw/zinc/71/79/94/813717994.db2.gz FVPGBBAMPZDZMW-HUUCEWRRSA-N 2 1 250.430 3.005 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001208160132 813717999 /nfs/dbraw/zinc/71/79/99/813717999.db2.gz FVPGBBAMPZDZMW-HUUCEWRRSA-N 2 1 250.430 3.005 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001208181537 813731983 /nfs/dbraw/zinc/73/19/83/813731983.db2.gz NQWULJDCUSMCGK-GVDBMIGSSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001208181537 813731987 /nfs/dbraw/zinc/73/19/87/813731987.db2.gz NQWULJDCUSMCGK-GVDBMIGSSA-N 2 1 262.441 3.006 20 0 CGADMP CC[N@H+](Cc1cccc(OC)c1)CC1CC[NH+](CC)CC1 ZINC001208601940 813771311 /nfs/dbraw/zinc/77/13/11/813771311.db2.gz UAVCVERYXGWYKI-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001208597097 813771524 /nfs/dbraw/zinc/77/15/24/813771524.db2.gz CPCVJACDXBXELN-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001208600923 813771676 /nfs/dbraw/zinc/77/16/76/813771676.db2.gz GCNXWGLTPQAJOV-SFHVURJKSA-N 2 1 287.451 3.259 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2C2CCCCC2)C1 ZINC001208617435 813777834 /nfs/dbraw/zinc/77/78/34/813777834.db2.gz PGCRPXMXYZAXBV-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2C2CCCCC2)C1 ZINC001208617435 813777840 /nfs/dbraw/zinc/77/78/40/813777840.db2.gz PGCRPXMXYZAXBV-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC001208617435 813777844 /nfs/dbraw/zinc/77/78/44/813777844.db2.gz PGCRPXMXYZAXBV-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC001208617435 813777850 /nfs/dbraw/zinc/77/78/50/813777850.db2.gz PGCRPXMXYZAXBV-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)C[C@H]1CCC[NH+](C)C1 ZINC001208615815 813778016 /nfs/dbraw/zinc/77/80/16/813778016.db2.gz ICRRZLQZAQIIHI-SFHVURJKSA-N 2 1 274.452 3.467 20 0 CGADMP CC[N@H+](Cc1ccc(C)c(C)c1)C[C@H]1CCC[NH+](C)C1 ZINC001208615815 813778018 /nfs/dbraw/zinc/77/80/18/813778018.db2.gz ICRRZLQZAQIIHI-SFHVURJKSA-N 2 1 274.452 3.467 20 0 CGADMP CC[NH+](Cc1ccc(C)c(C)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001208615815 813778025 /nfs/dbraw/zinc/77/80/25/813778025.db2.gz ICRRZLQZAQIIHI-SFHVURJKSA-N 2 1 274.452 3.467 20 0 CGADMP CC[NH+](Cc1ccc(C)c(C)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208615815 813778042 /nfs/dbraw/zinc/77/80/42/813778042.db2.gz ICRRZLQZAQIIHI-SFHVURJKSA-N 2 1 274.452 3.467 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CC1(C)CCCCC1 ZINC001208899139 813889988 /nfs/dbraw/zinc/88/99/88/813889988.db2.gz NEMREQSXQSUKIN-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208955234 813909689 /nfs/dbraw/zinc/90/96/89/813909689.db2.gz YXKWMWPFFAOYEL-ZHALLVOQSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)c2c1 ZINC001209495354 814061728 /nfs/dbraw/zinc/06/17/28/814061728.db2.gz SBHNRMOQNWMXRS-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001209578940 814090700 /nfs/dbraw/zinc/09/07/00/814090700.db2.gz RGZBRABWVUVWPR-DLBZAZTESA-N 2 1 275.440 3.162 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001209578940 814090703 /nfs/dbraw/zinc/09/07/03/814090703.db2.gz RGZBRABWVUVWPR-DLBZAZTESA-N 2 1 275.440 3.162 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001209578940 814090706 /nfs/dbraw/zinc/09/07/06/814090706.db2.gz RGZBRABWVUVWPR-DLBZAZTESA-N 2 1 275.440 3.162 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001209578940 814090711 /nfs/dbraw/zinc/09/07/11/814090711.db2.gz RGZBRABWVUVWPR-DLBZAZTESA-N 2 1 275.440 3.162 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC001210475380 814479386 /nfs/dbraw/zinc/47/93/86/814479386.db2.gz MPGHKXUHGFIAJL-IVMMDQJWSA-N 2 1 278.827 3.127 20 0 CGADMP [NH3+]CC1C[NH+](Cc2ccc(/C=C/c3ccccc3)cc2)C1 ZINC001210546684 814519249 /nfs/dbraw/zinc/51/92/49/814519249.db2.gz ZJPHBEXJOQMUBC-VOTSOKGWSA-N 2 1 278.399 3.248 20 0 CGADMP c1ccc(C[N@H+](CC2C[NH2+]C2)C2CCCCC2)cc1 ZINC001210580361 814540903 /nfs/dbraw/zinc/54/09/03/814540903.db2.gz IOUNUGLSLRDIKZ-UHFFFAOYSA-N 2 1 258.409 3.041 20 0 CGADMP [NH3+]CCCCCCCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001217766637 815957688 /nfs/dbraw/zinc/95/76/88/815957688.db2.gz WZEBKXVFJMGENN-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP [NH3+]Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001218175549 816117651 /nfs/dbraw/zinc/11/76/51/816117651.db2.gz BHSIOEBWFXRJBW-LJQANCHMSA-N 2 1 296.414 3.189 20 0 CGADMP Cc1ccnc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161431 816365390 /nfs/dbraw/zinc/36/53/90/816365390.db2.gz OEIPEBVTDWALOK-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)sn1 ZINC001222167891 816367517 /nfs/dbraw/zinc/36/75/17/816367517.db2.gz UOHRROQCRMJANW-MRXNPFEDSA-N 2 1 293.480 3.197 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)sn1 ZINC001222167891 816367525 /nfs/dbraw/zinc/36/75/25/816367525.db2.gz UOHRROQCRMJANW-MRXNPFEDSA-N 2 1 293.480 3.197 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1C ZINC001222247449 816386746 /nfs/dbraw/zinc/38/67/46/816386746.db2.gz FSLPMEYMPQRKJE-SFHVURJKSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1C ZINC001222247449 816386752 /nfs/dbraw/zinc/38/67/52/816386752.db2.gz FSLPMEYMPQRKJE-SFHVURJKSA-N 2 1 272.436 3.330 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309208 816403404 /nfs/dbraw/zinc/40/34/04/816403404.db2.gz NVJWMANGLMIEJQ-MJSXRHKHSA-N 2 1 250.430 3.341 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222308243 816403503 /nfs/dbraw/zinc/40/35/03/816403503.db2.gz IEJYQCWHDXTVEB-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(C)c1 ZINC001222309730 816404869 /nfs/dbraw/zinc/40/48/69/816404869.db2.gz QTZJCSACLPXACU-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379862 816423618 /nfs/dbraw/zinc/42/36/18/816423618.db2.gz LSPTZVLHHUTWOC-HNNXBMFYSA-N 2 1 250.430 3.054 20 0 CGADMP c1ccc(C(C[NH+]2CC3(C2)CC[NH2+]C3)c2ccccc2)cc1 ZINC001222379684 816423710 /nfs/dbraw/zinc/42/37/10/816423710.db2.gz IGTGYZCVPYHRHT-UHFFFAOYSA-N 2 1 292.426 3.114 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1(C)C ZINC001222465575 816451307 /nfs/dbraw/zinc/45/13/07/816451307.db2.gz VGEWJQQLBJAMFL-RDJZCZTQSA-N 2 1 262.441 3.197 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1(C)C ZINC001222465575 816451314 /nfs/dbraw/zinc/45/13/14/816451314.db2.gz VGEWJQQLBJAMFL-RDJZCZTQSA-N 2 1 262.441 3.197 20 0 CGADMP CC/C=C\CCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595911 816474582 /nfs/dbraw/zinc/47/45/82/816474582.db2.gz LOYILAJVFLIJIL-DDKKJVIOSA-N 2 1 284.447 3.422 20 0 CGADMP Clc1ccc([C@H]2C[C@@H]2C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222615200 816478768 /nfs/dbraw/zinc/47/87/68/816478768.db2.gz MXEGDEYULMDEHW-XOSAIJSUSA-N 2 1 290.838 3.127 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc(C)c1Cl ZINC001222623391 816480769 /nfs/dbraw/zinc/48/07/69/816480769.db2.gz HVJYDSUMIUXTJD-LSDHHAIUSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc(C)c1Cl ZINC001222623391 816480775 /nfs/dbraw/zinc/48/07/75/816480775.db2.gz HVJYDSUMIUXTJD-LSDHHAIUSA-N 2 1 278.827 3.141 20 0 CGADMP C[C@H]1C(=O)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C12CCCC2 ZINC001232018378 818234886 /nfs/dbraw/zinc/23/48/86/818234886.db2.gz JUXDEKFXXXYQCA-ZDUSSCGKSA-N 2 1 297.402 3.287 20 0 CGADMP C[C@H]1C(=O)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C12CCCC2 ZINC001232018378 818234890 /nfs/dbraw/zinc/23/48/90/818234890.db2.gz JUXDEKFXXXYQCA-ZDUSSCGKSA-N 2 1 297.402 3.287 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc2c1CCCC2 ZINC001232636185 818407234 /nfs/dbraw/zinc/40/72/34/818407234.db2.gz BTPIUCZHGJUTCI-UHFFFAOYSA-N 2 1 286.463 3.483 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2c1CCCC2 ZINC001232636185 818407240 /nfs/dbraw/zinc/40/72/40/818407240.db2.gz BTPIUCZHGJUTCI-UHFFFAOYSA-N 2 1 286.463 3.483 20 0 CGADMP CNc1ccccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001232671692 818415065 /nfs/dbraw/zinc/41/50/65/818415065.db2.gz PWSPQWVCNDMLBE-UHFFFAOYSA-N 2 1 289.467 3.281 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912871 818473921 /nfs/dbraw/zinc/47/39/21/818473921.db2.gz YFMSLCZPJLNQSL-PKOBYXMFSA-N 2 1 295.430 3.003 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234993404 818971520 /nfs/dbraw/zinc/97/15/20/818971520.db2.gz NNLNTWIORKELMM-IAGOWNOFSA-N 2 1 264.457 3.444 20 0 CGADMP c1cc(-c2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)cs1 ZINC001235023665 818980388 /nfs/dbraw/zinc/98/03/88/818980388.db2.gz FJXZTYHRLOMWNN-UHFFFAOYSA-N 2 1 284.428 3.210 20 0 CGADMP c1cc(-c2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)cs1 ZINC001235023665 818980394 /nfs/dbraw/zinc/98/03/94/818980394.db2.gz FJXZTYHRLOMWNN-UHFFFAOYSA-N 2 1 284.428 3.210 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235024920 818980806 /nfs/dbraw/zinc/98/08/06/818980806.db2.gz SQGDBBPBNMYPFN-UHFFFAOYSA-N 2 1 296.389 3.288 20 0 CGADMP CCCCCOc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023677 818981083 /nfs/dbraw/zinc/98/10/83/818981083.db2.gz FMAAEAJYPFMUIZ-UHFFFAOYSA-N 2 1 288.435 3.051 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023677 818981088 /nfs/dbraw/zinc/98/10/88/818981088.db2.gz FMAAEAJYPFMUIZ-UHFFFAOYSA-N 2 1 288.435 3.051 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026827 818981889 /nfs/dbraw/zinc/98/18/89/818981889.db2.gz UAGQVJNPGQSKND-GOEBONIOSA-N 2 1 284.428 3.209 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026827 818981895 /nfs/dbraw/zinc/98/18/95/818981895.db2.gz UAGQVJNPGQSKND-GOEBONIOSA-N 2 1 284.428 3.209 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)c1 ZINC001235031668 818984657 /nfs/dbraw/zinc/98/46/57/818984657.db2.gz NKOOGLVJVVENRH-JKSUJKDBSA-N 2 1 284.428 3.209 20 0 CGADMP c1csc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)c1 ZINC001235031668 818984652 /nfs/dbraw/zinc/98/46/52/818984652.db2.gz NKOOGLVJVVENRH-JKSUJKDBSA-N 2 1 284.428 3.209 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001235042143 818989051 /nfs/dbraw/zinc/98/90/51/818989051.db2.gz UXWKKMDUUMCKFW-LJQANCHMSA-N 2 1 284.447 3.010 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046271 818990261 /nfs/dbraw/zinc/99/02/61/818990261.db2.gz OQPZKICSSJMKIK-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC001235065071 818993585 /nfs/dbraw/zinc/99/35/85/818993585.db2.gz JKIFBCXQCHHJDW-QFBILLFUSA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC001235065071 818993591 /nfs/dbraw/zinc/99/35/91/818993591.db2.gz JKIFBCXQCHHJDW-QFBILLFUSA-N 2 1 286.463 3.426 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC001235094400 819001412 /nfs/dbraw/zinc/00/14/12/819001412.db2.gz ZXOBQDFINGJVSO-UHFFFAOYSA-N 2 1 278.465 3.276 20 0 CGADMP C[C@@H](CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001235111763 819006923 /nfs/dbraw/zinc/00/69/23/819006923.db2.gz UYWLIYZGNIQYBL-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001235111763 819006927 /nfs/dbraw/zinc/00/69/27/819006927.db2.gz UYWLIYZGNIQYBL-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151991 819018110 /nfs/dbraw/zinc/01/81/10/819018110.db2.gz LKYJJHZQDUCDNA-KRWDZBQOSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CCCC2)CC1 ZINC001235157949 819020109 /nfs/dbraw/zinc/02/01/09/819020109.db2.gz SOGBPTMQEUZZID-ZIAGYGMSSA-N 2 1 286.410 3.133 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1F ZINC001235158061 819020189 /nfs/dbraw/zinc/02/01/89/819020189.db2.gz UDDLKVIFRINPQS-GOSISDBHSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167425 819021595 /nfs/dbraw/zinc/02/15/95/819021595.db2.gz IUJNNWXZKWDRIH-SFHVURJKSA-N 2 1 288.435 3.117 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167425 819021600 /nfs/dbraw/zinc/02/16/00/819021600.db2.gz IUJNNWXZKWDRIH-SFHVURJKSA-N 2 1 288.435 3.117 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)o1 ZINC001235183709 819027212 /nfs/dbraw/zinc/02/72/12/819027212.db2.gz FLUNFDUFBSAYAO-MSOLQXFVSA-N 2 1 296.414 3.296 20 0 CGADMP c1csc(-c2ccccc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235185368 819028299 /nfs/dbraw/zinc/02/82/99/819028299.db2.gz RJEHJXKFYQHABM-ZBFHGGJFSA-N 2 1 298.455 3.456 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193410 819032730 /nfs/dbraw/zinc/03/27/30/819032730.db2.gz KQKOGJZCHWXTOQ-GVDBMIGSSA-N 2 1 264.457 3.300 20 0 CGADMP Fc1cccc2c(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cccc12 ZINC001235198062 819034363 /nfs/dbraw/zinc/03/43/63/819034363.db2.gz LSADQDNMKJCKAL-UKRRQHHQSA-N 2 1 284.378 3.020 20 0 CGADMP Clc1ncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)s1 ZINC001235230185 819041559 /nfs/dbraw/zinc/04/15/59/819041559.db2.gz OIBUAHVSWGZAGH-CYBMUJFWSA-N 2 1 299.871 3.151 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2cccc(F)c2[nH]1 ZINC001235250223 819049476 /nfs/dbraw/zinc/04/94/76/819049476.db2.gz CJQMNWGGUOXMHQ-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2cccc(F)c2[nH]1 ZINC001235250223 819049481 /nfs/dbraw/zinc/04/94/81/819049481.db2.gz CJQMNWGGUOXMHQ-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235256996 819053244 /nfs/dbraw/zinc/05/32/44/819053244.db2.gz VWWCAKCXTGAMTG-XIRDDKMYSA-N 2 1 272.436 3.296 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410057 819089358 /nfs/dbraw/zinc/08/93/58/819089358.db2.gz XHFXEVVGXFXALY-MSOLQXFVSA-N 2 1 290.426 3.081 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424856 819092273 /nfs/dbraw/zinc/09/22/73/819092273.db2.gz KWBGAJWFGLVEDQ-HRCADAONSA-N 2 1 252.446 3.134 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235423486 819092808 /nfs/dbraw/zinc/09/28/08/819092808.db2.gz GUGQUFJXRMVHNW-HOTGVXAUSA-N 2 1 252.446 3.134 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2[nH]1 ZINC001235421924 819093217 /nfs/dbraw/zinc/09/32/17/819093217.db2.gz CNTDOAJLOUETGB-SJORKVTESA-N 2 1 297.446 3.380 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)CC1(c2ccccc2)CCCC1 ZINC001235433592 819095820 /nfs/dbraw/zinc/09/58/20/819095820.db2.gz GSHOUCHTFUPHFW-UHFFFAOYSA-N 2 1 286.463 3.430 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001235673994 819134761 /nfs/dbraw/zinc/13/47/61/819134761.db2.gz KIFOMMOWNXETQW-FVQBIDKESA-N 2 1 294.389 3.314 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001235673994 819134763 /nfs/dbraw/zinc/13/47/63/819134763.db2.gz KIFOMMOWNXETQW-FVQBIDKESA-N 2 1 294.389 3.314 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001235693910 819143464 /nfs/dbraw/zinc/14/34/64/819143464.db2.gz JPMILMHXKNGTNH-CQSZACIVSA-N 2 1 252.789 3.216 20 0 CGADMP C[N@@H+](CC1(C)CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001235691905 819144174 /nfs/dbraw/zinc/14/41/74/819144174.db2.gz YKJGUQVPWPAJFF-UHFFFAOYSA-N 2 1 276.468 3.277 20 0 CGADMP CSc1ccccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717334 819150259 /nfs/dbraw/zinc/15/02/59/819150259.db2.gz RIFWDTCCICHFDH-UHFFFAOYSA-N 2 1 278.465 3.230 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)CCC3CC[NH2+]CC3)cc21 ZINC001235716678 819150327 /nfs/dbraw/zinc/15/03/27/819150327.db2.gz FSJIZJKVIZPCRU-UHFFFAOYSA-N 2 1 299.462 3.483 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235725478 819153608 /nfs/dbraw/zinc/15/36/08/819153608.db2.gz PONVKLLZMYTVMY-HNNXBMFYSA-N 2 1 254.377 3.071 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1C[NH3+] ZINC001235725478 819153610 /nfs/dbraw/zinc/15/36/10/819153610.db2.gz PONVKLLZMYTVMY-HNNXBMFYSA-N 2 1 254.377 3.071 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2CCCCC[NH3+])c1 ZINC001235726638 819154677 /nfs/dbraw/zinc/15/46/77/819154677.db2.gz NVGNLPYKBKZTQM-QGZVFWFLSA-N 2 1 276.424 3.351 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235726093 819155586 /nfs/dbraw/zinc/15/55/86/819155586.db2.gz MQYQNMLKMWMJLC-LSDHHAIUSA-N 2 1 276.399 3.005 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235726262 819155604 /nfs/dbraw/zinc/15/56/04/819155604.db2.gz VDBSZKBMVDOQKT-GJZGRUSLSA-N 2 1 270.461 3.031 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC001235726262 819155607 /nfs/dbraw/zinc/15/56/07/819155607.db2.gz VDBSZKBMVDOQKT-GJZGRUSLSA-N 2 1 270.461 3.031 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001235749849 819160670 /nfs/dbraw/zinc/16/06/70/819160670.db2.gz LGLKJLUJKIZCOH-INIZCTEOSA-N 2 1 282.387 3.260 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001235750233 819160695 /nfs/dbraw/zinc/16/06/95/819160695.db2.gz MXYWNJFCTPOUTG-HNNXBMFYSA-N 2 1 284.378 3.273 20 0 CGADMP CC[N@H+](Cc1cc(C)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001235762955 819163295 /nfs/dbraw/zinc/16/32/95/819163295.db2.gz XKJIDJDDUJEAKQ-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CC[N@@H+](Cc1cc(C)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001235762955 819163299 /nfs/dbraw/zinc/16/32/99/819163299.db2.gz XKJIDJDDUJEAKQ-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CCSc1ccccc1C[N@H+](CC)C1CC[NH2+]CC1 ZINC001235764421 819163788 /nfs/dbraw/zinc/16/37/88/819163788.db2.gz BMSFGLBWDZLETC-UHFFFAOYSA-N 2 1 278.465 3.373 20 0 CGADMP CCSc1ccccc1C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235764421 819163794 /nfs/dbraw/zinc/16/37/94/819163794.db2.gz BMSFGLBWDZLETC-UHFFFAOYSA-N 2 1 278.465 3.373 20 0 CGADMP C[C@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2)CC(C)(C)C ZINC001235808404 819171970 /nfs/dbraw/zinc/17/19/70/819171970.db2.gz CUOSLPVBZGMTCW-APIJFGDWSA-N 2 1 252.446 3.403 20 0 CGADMP Clc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001235828299 819178149 /nfs/dbraw/zinc/17/81/49/819178149.db2.gz ZVARHWIDYKMRRA-KGLIPLIRSA-N 2 1 278.827 3.129 20 0 CGADMP CCCC[NH+](CCCC)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235834775 819180722 /nfs/dbraw/zinc/18/07/22/819180722.db2.gz OVLRWIJSLNFNTQ-KBPBESRZSA-N 2 1 276.415 3.379 20 0 CGADMP C[N@H+](Cc1ccc2c(c1)Cc1ccccc1-2)C[C@H]1CC[NH2+]C1 ZINC001235841898 819183972 /nfs/dbraw/zinc/18/39/72/819183972.db2.gz JPOHGPZZTPNRAK-INIZCTEOSA-N 2 1 292.426 3.299 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+](CCC3C[NH2+]C3)C2)cc1Cl ZINC001235883061 819195120 /nfs/dbraw/zinc/19/51/20/819195120.db2.gz XECOSAOVPJNEQH-ZDUSSCGKSA-N 2 1 299.245 3.392 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001235893982 819203607 /nfs/dbraw/zinc/20/36/07/819203607.db2.gz YVIYXPJOXOAYSC-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1cccc(Cl)c1 ZINC001235893982 819203612 /nfs/dbraw/zinc/20/36/12/819203612.db2.gz YVIYXPJOXOAYSC-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918720 819220083 /nfs/dbraw/zinc/22/00/83/819220083.db2.gz JPTSVKLZTXRSCC-GXTWGEPZSA-N 2 1 286.341 3.232 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918720 819220087 /nfs/dbraw/zinc/22/00/87/819220087.db2.gz JPTSVKLZTXRSCC-GXTWGEPZSA-N 2 1 286.341 3.232 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001235925703 819224514 /nfs/dbraw/zinc/22/45/14/819224514.db2.gz XWKQIFIAQHIHKJ-LBPRGKRZSA-N 2 1 290.304 3.158 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC001235925703 819224519 /nfs/dbraw/zinc/22/45/19/819224519.db2.gz XWKQIFIAQHIHKJ-LBPRGKRZSA-N 2 1 290.304 3.158 20 0 CGADMP Clc1ccc(CC[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235929785 819227987 /nfs/dbraw/zinc/22/79/87/819227987.db2.gz UBNKQHVXTJEOHY-CHWSQXEVSA-N 2 1 299.245 3.077 20 0 CGADMP Cc1ccc([C@]2(C)C[N@@H+](CCCCCC[NH3+])CCO2)cc1 ZINC001235948209 819237746 /nfs/dbraw/zinc/23/77/46/819237746.db2.gz KKMKQRSTHNFORK-SFHVURJKSA-N 2 1 290.451 3.062 20 0 CGADMP [NH3+]Cc1cccc(C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC001235949561 819240268 /nfs/dbraw/zinc/24/02/68/819240268.db2.gz OUYGZINCYUBUDR-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC001235949561 819240271 /nfs/dbraw/zinc/24/02/71/819240271.db2.gz OUYGZINCYUBUDR-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP C[N@@H+](CCCc1cccc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235952506 819242764 /nfs/dbraw/zinc/24/27/64/819242764.db2.gz YMJVCCWFUKCWRW-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@H+](Cc1cccc2c(F)cccc12)C[C@H]1CCC[NH2+]C1 ZINC001235957434 819245344 /nfs/dbraw/zinc/24/53/44/819245344.db2.gz NWVHGKSUNSSPPM-AWEZNQCLSA-N 2 1 286.394 3.410 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC1(C)CC[NH2+]CC1 ZINC001235959252 819247457 /nfs/dbraw/zinc/24/74/57/819247457.db2.gz FAFBCMSDBGYBMS-INIZCTEOSA-N 2 1 260.425 3.459 20 0 CGADMP CCc1ccc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235960569 819248782 /nfs/dbraw/zinc/24/87/82/819248782.db2.gz SZVUHRSOHMCIJY-UHFFFAOYSA-N 2 1 280.415 3.484 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001235961949 819249094 /nfs/dbraw/zinc/24/90/94/819249094.db2.gz JUVQBACSTJPBRS-IZZDOVSWSA-N 2 1 266.388 3.291 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)Cc1ccccc1F ZINC001235960424 819249116 /nfs/dbraw/zinc/24/91/16/819249116.db2.gz LTBFEEWRVYHXBR-UHFFFAOYSA-N 2 1 298.405 3.494 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)CC[C@H]1CCCC[NH2+]1 ZINC001235963847 819252936 /nfs/dbraw/zinc/25/29/36/819252936.db2.gz WLCYDLRKZLHIIQ-PYUISTEWSA-N 2 1 258.409 3.164 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)CC[C@H]1CCCC[NH2+]1 ZINC001235963847 819252942 /nfs/dbraw/zinc/25/29/42/819252942.db2.gz WLCYDLRKZLHIIQ-PYUISTEWSA-N 2 1 258.409 3.164 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235985481 819260808 /nfs/dbraw/zinc/26/08/08/819260808.db2.gz CDSOWCJEROZLBD-PKOBYXMFSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235985481 819260812 /nfs/dbraw/zinc/26/08/12/819260812.db2.gz CDSOWCJEROZLBD-PKOBYXMFSA-N 2 1 296.389 3.416 20 0 CGADMP Cc1ccsc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012285 819275722 /nfs/dbraw/zinc/27/57/22/819275722.db2.gz HHGLXLKRUAFESV-AEFFLSMTSA-N 2 1 298.455 3.030 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H]2C2CCCCC2)CO1 ZINC001236041903 819280669 /nfs/dbraw/zinc/28/06/69/819280669.db2.gz NNHHYLVVEUPGPO-HOTGVXAUSA-N 2 1 280.456 3.146 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H]2C2CCCCC2)CO1 ZINC001236041903 819280671 /nfs/dbraw/zinc/28/06/71/819280671.db2.gz NNHHYLVVEUPGPO-HOTGVXAUSA-N 2 1 280.456 3.146 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc3ccccc32)C1 ZINC001236065655 819297439 /nfs/dbraw/zinc/29/74/39/819297439.db2.gz CFSHXCCQRBMYES-CVEARBPZSA-N 2 1 282.431 3.485 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236066986 819298807 /nfs/dbraw/zinc/29/88/07/819298807.db2.gz MHGVAPHWQDDGRD-AWFCHZOYSA-N 2 1 252.446 3.444 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236095810 819314545 /nfs/dbraw/zinc/31/45/45/819314545.db2.gz ZHAUAMATDUIOOO-HNNXBMFYSA-N 2 1 260.425 3.213 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236095810 819314548 /nfs/dbraw/zinc/31/45/48/819314548.db2.gz ZHAUAMATDUIOOO-HNNXBMFYSA-N 2 1 260.425 3.213 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1SC ZINC001236108095 819324635 /nfs/dbraw/zinc/32/46/35/819324635.db2.gz IQPQWGGULPYHBK-JSGCOSHPSA-N 2 1 264.438 3.283 20 0 CGADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1SC ZINC001236108095 819324641 /nfs/dbraw/zinc/32/46/41/819324641.db2.gz IQPQWGGULPYHBK-JSGCOSHPSA-N 2 1 264.438 3.283 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCC[NH3+])cc(C)c1OC(C)C ZINC001236142330 819342918 /nfs/dbraw/zinc/34/29/18/819342918.db2.gz VWHGPHUZIPPXQJ-UHFFFAOYSA-N 2 1 278.440 3.261 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236188989 819362249 /nfs/dbraw/zinc/36/22/49/819362249.db2.gz HFZVSBVOQQJPEX-KSSFIOAISA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236188989 819362253 /nfs/dbraw/zinc/36/22/53/819362253.db2.gz HFZVSBVOQQJPEX-KSSFIOAISA-N 2 1 283.419 3.447 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236210330 819372249 /nfs/dbraw/zinc/37/22/49/819372249.db2.gz BNLABUBATIUOBB-DOTOQJQBSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236210330 819372258 /nfs/dbraw/zinc/37/22/58/819372258.db2.gz BNLABUBATIUOBB-DOTOQJQBSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)cccc2n1 ZINC001236210081 819372887 /nfs/dbraw/zinc/37/28/87/819372887.db2.gz ROJRQIWURHEUFJ-GOSISDBHSA-N 2 1 283.419 3.117 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)cccc2n1 ZINC001236210081 819372893 /nfs/dbraw/zinc/37/28/93/819372893.db2.gz ROJRQIWURHEUFJ-GOSISDBHSA-N 2 1 283.419 3.117 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(OC)cc2Cl)CC1 ZINC001236213903 819376578 /nfs/dbraw/zinc/37/65/78/819376578.db2.gz YBQMVPLPQRQAHL-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(F)c(F)c2)CC1 ZINC001236215495 819378185 /nfs/dbraw/zinc/37/81/85/819378185.db2.gz OBSJPQWPQNURKP-UHFFFAOYSA-N 2 1 282.378 3.236 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])c21 ZINC001236216562 819381262 /nfs/dbraw/zinc/38/12/62/819381262.db2.gz KBVITECBZAVCBM-ZBFHGGJFSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])c21 ZINC001236216562 819381269 /nfs/dbraw/zinc/38/12/69/819381269.db2.gz KBVITECBZAVCBM-ZBFHGGJFSA-N 2 1 271.408 3.178 20 0 CGADMP CSc1cc(C)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236217620 819383118 /nfs/dbraw/zinc/38/31/18/819383118.db2.gz QARRLDMIJPQUFU-HZPDHXFCSA-N 2 1 278.465 3.419 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236217620 819383122 /nfs/dbraw/zinc/38/31/22/819383122.db2.gz QARRLDMIJPQUFU-HZPDHXFCSA-N 2 1 278.465 3.419 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cccc2n1 ZINC001236220317 819386681 /nfs/dbraw/zinc/38/66/81/819386681.db2.gz YXXBETMCWOGBHY-WMZOPIPTSA-N 2 1 283.419 3.245 20 0 CGADMP CCCCOc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236223996 819390087 /nfs/dbraw/zinc/39/00/87/819390087.db2.gz PZMKYKJPFQLEGK-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP C[N@@H+](Cc1ccc(OC(C)(C)C)cc1)C1(C)CC[NH2+]CC1 ZINC001236226110 819391738 /nfs/dbraw/zinc/39/17/38/819391738.db2.gz IQAUDARDGZOMFZ-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285220 819413013 /nfs/dbraw/zinc/41/30/13/819413013.db2.gz CRKJJPMIMIULNG-IPMKNSEASA-N 2 1 296.458 3.453 20 0 CGADMP c1ccc(C[N@H+](CC2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236286646 819413885 /nfs/dbraw/zinc/41/38/85/819413885.db2.gz NMTDWFPKGMPIJR-UHFFFAOYSA-N 2 1 258.409 3.041 20 0 CGADMP FC(F)c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236315540 819422146 /nfs/dbraw/zinc/42/21/46/819422146.db2.gz KRQOVVCOQYVHNT-GASCZTMLSA-N 2 1 280.362 3.056 20 0 CGADMP Fc1cccc2c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cccc12 ZINC001236321799 819424235 /nfs/dbraw/zinc/42/42/35/819424235.db2.gz WKJIFXGVHKQTQT-GASCZTMLSA-N 2 1 298.405 3.410 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236407115 819454609 /nfs/dbraw/zinc/45/46/09/819454609.db2.gz CBYJDJDDKXJMCS-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](CC[C@@H](C)CC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC001236408970 819456740 /nfs/dbraw/zinc/45/67/40/819456740.db2.gz VGCKCPUVJWXYFZ-CABCVRRESA-N 2 1 254.462 3.380 20 0 CGADMP CC[N@@H+](Cc1cccc(C)c1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236409845 819457789 /nfs/dbraw/zinc/45/77/89/819457789.db2.gz XRHOQOCJOCWGDV-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+](Cc1cccc(C)c1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236409845 819457792 /nfs/dbraw/zinc/45/77/92/819457792.db2.gz XRHOQOCJOCWGDV-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+](Cc1cccc2c(F)cccc12)C[C@H]1CC[NH2+]C1 ZINC001236410191 819458103 /nfs/dbraw/zinc/45/81/03/819458103.db2.gz FZQUSBLWRGEPFJ-AWEZNQCLSA-N 2 1 286.394 3.410 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236415593 819460736 /nfs/dbraw/zinc/46/07/36/819460736.db2.gz OOUOCGKFBGWPRQ-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236415593 819460740 /nfs/dbraw/zinc/46/07/40/819460740.db2.gz OOUOCGKFBGWPRQ-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCCCCc1ccccc1 ZINC001236417190 819463514 /nfs/dbraw/zinc/46/35/14/819463514.db2.gz XSTVULADWQFMBW-DOTOQJQBSA-N 2 1 260.425 3.211 20 0 CGADMP c1ccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001236440823 819480326 /nfs/dbraw/zinc/48/03/26/819480326.db2.gz HLLUMKNIXYUOFN-INIZCTEOSA-N 2 1 272.436 3.431 20 0 CGADMP CC(C)C[NH2+]Cc1ccc(-c2cc[nH+]c3c2CCN3)cc1 ZINC001236448825 819483778 /nfs/dbraw/zinc/48/37/78/819483778.db2.gz ZIVLFSARVHFNQW-UHFFFAOYSA-N 2 1 281.403 3.105 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3c(c2)NCC3)C2CCC2)CC1 ZINC001236576547 819541956 /nfs/dbraw/zinc/54/19/56/819541956.db2.gz NBLFEDHIOIFMRK-SAABIXHNSA-N 2 1 299.462 3.279 20 0 CGADMP CC/C=C\CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584754 819545916 /nfs/dbraw/zinc/54/59/16/819545916.db2.gz SGHJRVSLXWMZAY-ABCZVMIZSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c2ccccc12 ZINC001236604797 819549840 /nfs/dbraw/zinc/54/98/40/819549840.db2.gz OBTDAEXNNDVFCJ-SFHVURJKSA-N 2 1 268.404 3.319 20 0 CGADMP c1cc2cccc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c2o1 ZINC001236601917 819550106 /nfs/dbraw/zinc/55/01/06/819550106.db2.gz QCZWSZZTCOGNHL-CQSZACIVSA-N 2 1 284.403 3.397 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cc2)o1 ZINC001236603626 819550706 /nfs/dbraw/zinc/55/07/06/819550706.db2.gz BDEQCTRKZQWEKV-SFHVURJKSA-N 2 1 284.403 3.426 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001236616924 819553293 /nfs/dbraw/zinc/55/32/93/819553293.db2.gz SJAQCYBQADNRCV-OAHLLOKOSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1c(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001236616924 819553300 /nfs/dbraw/zinc/55/33/00/819553300.db2.gz SJAQCYBQADNRCV-OAHLLOKOSA-N 2 1 266.816 3.128 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CC1C[NH2+]C1 ZINC001236661750 819566201 /nfs/dbraw/zinc/56/62/01/819566201.db2.gz GAVQQIANVXJXOT-SFHVURJKSA-N 2 1 274.452 3.329 20 0 CGADMP CC[N@@H+](C)C1CCN(Cc2cccc3ccoc32)CC1 ZINC001236739864 819588453 /nfs/dbraw/zinc/58/84/53/819588453.db2.gz FHXSWBMUJJUFJG-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC001236739864 819588459 /nfs/dbraw/zinc/58/84/59/819588459.db2.gz FHXSWBMUJJUFJG-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC001236739864 819588460 /nfs/dbraw/zinc/58/84/60/819588460.db2.gz FHXSWBMUJJUFJG-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1Cl ZINC001236825758 819607356 /nfs/dbraw/zinc/60/73/56/819607356.db2.gz AHUHKYQSRYWFLT-ZNMIVQPWSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cccc1C(F)(F)F ZINC001236827246 819610045 /nfs/dbraw/zinc/61/00/45/819610045.db2.gz DODWMLWCZGRFJS-KCQAQPDRSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1c(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Cl ZINC001236829523 819610571 /nfs/dbraw/zinc/61/05/71/819610571.db2.gz KXWUZAFPGPRRFX-DZKIICNBSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC001236832351 819611196 /nfs/dbraw/zinc/61/11/96/819611196.db2.gz VARKZTODKIHDGU-QEJZJMRPSA-N 2 1 278.827 3.126 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236832276 819611705 /nfs/dbraw/zinc/61/17/05/819611705.db2.gz TVSUWVWSXIDGOL-WDMOLILDSA-N 2 1 296.867 3.231 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236834188 819613768 /nfs/dbraw/zinc/61/37/68/819613768.db2.gz FCQBOYCHQVKLGG-ZDUSSCGKSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836530 819616776 /nfs/dbraw/zinc/61/67/76/819616776.db2.gz WVNWZGLMXXOVJW-CYBMUJFWSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)c(C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236842362 819618350 /nfs/dbraw/zinc/61/83/50/819618350.db2.gz FIXNOPFRQAKUIX-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c(C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236842362 819618351 /nfs/dbraw/zinc/61/83/51/819618351.db2.gz FIXNOPFRQAKUIX-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@@H+](Cc1ccc(OCC)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236842211 819618761 /nfs/dbraw/zinc/61/87/61/819618761.db2.gz BZPOIKWICCEYJM-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@H+](Cc1ccc(OCC)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236842211 819618763 /nfs/dbraw/zinc/61/87/63/819618763.db2.gz BZPOIKWICCEYJM-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@@H+](Cc1cccc(OC)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236845063 819620278 /nfs/dbraw/zinc/62/02/78/819620278.db2.gz YMKYULMKIDJFEI-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cccc(OC)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236845063 819620282 /nfs/dbraw/zinc/62/02/82/819620282.db2.gz YMKYULMKIDJFEI-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237185346 819691611 /nfs/dbraw/zinc/69/16/11/819691611.db2.gz NOSNSTHDLRPICA-HDICACEKSA-N 2 1 280.415 3.175 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237185346 819691613 /nfs/dbraw/zinc/69/16/13/819691613.db2.gz NOSNSTHDLRPICA-HDICACEKSA-N 2 1 280.415 3.175 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237185346 819691616 /nfs/dbraw/zinc/69/16/16/819691616.db2.gz NOSNSTHDLRPICA-HDICACEKSA-N 2 1 280.415 3.175 20 0 CGADMP Nc1cccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001237218359 819698859 /nfs/dbraw/zinc/69/88/59/819698859.db2.gz IHYGPBHHWIDUNJ-UHFFFAOYSA-N 2 1 299.462 3.109 20 0 CGADMP Nc1cccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001237218359 819698861 /nfs/dbraw/zinc/69/88/61/819698861.db2.gz IHYGPBHHWIDUNJ-UHFFFAOYSA-N 2 1 299.462 3.109 20 0 CGADMP CC[N@@H+]1C[C@H]2CN(Cc3c(C)cc(Cl)cc3C)C[C@H]2C1 ZINC001237351974 819733326 /nfs/dbraw/zinc/73/33/26/819733326.db2.gz CWFMYMWDUDKNJR-GASCZTMLSA-N 2 1 292.854 3.340 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)cc(Cl)cc3C)C[C@@H]2C1 ZINC001237351974 819733327 /nfs/dbraw/zinc/73/33/27/819733327.db2.gz CWFMYMWDUDKNJR-GASCZTMLSA-N 2 1 292.854 3.340 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cc(Cl)cc3C)C[C@@H]2C1 ZINC001237351974 819733332 /nfs/dbraw/zinc/73/33/32/819733332.db2.gz CWFMYMWDUDKNJR-GASCZTMLSA-N 2 1 292.854 3.340 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cc(Cl)cc3C)C[C@@H]2C1 ZINC001237351974 819733337 /nfs/dbraw/zinc/73/33/37/819733337.db2.gz CWFMYMWDUDKNJR-GASCZTMLSA-N 2 1 292.854 3.340 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cc(Cl)cc3C)C[C@@H]2C1 ZINC001237351974 819733339 /nfs/dbraw/zinc/73/33/39/819733339.db2.gz CWFMYMWDUDKNJR-GASCZTMLSA-N 2 1 292.854 3.340 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(C)c1F ZINC001237401687 819743479 /nfs/dbraw/zinc/74/34/79/819743479.db2.gz FHFVCZZVPBGHRF-HZPDHXFCSA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(C)c1F ZINC001237401687 819743485 /nfs/dbraw/zinc/74/34/85/819743485.db2.gz FHFVCZZVPBGHRF-HZPDHXFCSA-N 2 1 276.399 3.016 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414086 819746353 /nfs/dbraw/zinc/74/63/53/819746353.db2.gz LQJCXGPKOGXUFD-ROUUACIJSA-N 2 1 272.436 3.384 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414960 819747277 /nfs/dbraw/zinc/74/72/77/819747277.db2.gz NQFYOJCTRKZWGD-SJLPKXTDSA-N 2 1 272.436 3.131 20 0 CGADMP c1cc2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2o1 ZINC001237417788 819748493 /nfs/dbraw/zinc/74/84/93/819748493.db2.gz UZBBGXWSNGPBAM-GOEBONIOSA-N 2 1 270.376 3.007 20 0 CGADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1C ZINC001238081187 819926903 /nfs/dbraw/zinc/92/69/03/819926903.db2.gz VWSGBMXPBUBVOG-UHFFFAOYSA-N 2 1 290.451 3.167 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC2(C1)CCCCC2 ZINC001238117184 819937936 /nfs/dbraw/zinc/93/79/36/819937936.db2.gz XJELGTQBHJPUIL-UHFFFAOYSA-N 2 1 269.392 3.491 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC2(C1)CCCCC2 ZINC001238117184 819937938 /nfs/dbraw/zinc/93/79/38/819937938.db2.gz XJELGTQBHJPUIL-UHFFFAOYSA-N 2 1 269.392 3.491 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001238520462 820036968 /nfs/dbraw/zinc/03/69/68/820036968.db2.gz BVQIVPKXJSUDAW-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240874844 821383431 /nfs/dbraw/zinc/38/34/31/821383431.db2.gz BHKSQTHFNWUXKC-GOSISDBHSA-N 2 1 285.435 3.395 20 0 CGADMP Nc1cc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)cc[nH+]1 ZINC001241169678 821614559 /nfs/dbraw/zinc/61/45/59/821614559.db2.gz KNQQEWGPOMZQPV-IAGOWNOFSA-N 2 1 297.402 3.117 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2CCc2ccc(F)cc2F)CC1 ZINC001338878993 936337336 /nfs/dbraw/zinc/33/73/36/936337336.db2.gz GNYPIURKARNSQQ-UHFFFAOYSA-N 2 1 294.389 3.068 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001339934649 936392081 /nfs/dbraw/zinc/39/20/81/936392081.db2.gz VHSJJNDAJBAEOA-WBVHZDCISA-N 2 1 272.436 3.254 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001341154715 936429826 /nfs/dbraw/zinc/42/98/26/936429826.db2.gz JQVSXZIVQHTZKZ-CQSZACIVSA-N 2 1 292.386 3.271 20 0 CGADMP COc1ccc(C[C@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC001341476379 936439424 /nfs/dbraw/zinc/43/94/24/936439424.db2.gz RJEBSORIMSSDSY-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccc(C[C@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001341476379 936439427 /nfs/dbraw/zinc/43/94/27/936439427.db2.gz RJEBSORIMSSDSY-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccc(C[C@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001341476379 936439429 /nfs/dbraw/zinc/43/94/29/936439429.db2.gz RJEBSORIMSSDSY-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC001348852747 936936518 /nfs/dbraw/zinc/93/65/18/936936518.db2.gz OMTYPVAUAVUJAT-BDAKNGLRSA-N 2 1 291.258 3.159 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001352084985 937035685 /nfs/dbraw/zinc/03/56/85/937035685.db2.gz SQQRRWWLUXGHMS-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC2(CCCCC2)CC1 ZINC001473384696 937198245 /nfs/dbraw/zinc/19/82/45/937198245.db2.gz VURLOFJVDTYAFL-QGZVFWFLSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC001473384696 937198247 /nfs/dbraw/zinc/19/82/47/937198247.db2.gz VURLOFJVDTYAFL-QGZVFWFLSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC001473384696 937198248 /nfs/dbraw/zinc/19/82/48/937198248.db2.gz VURLOFJVDTYAFL-QGZVFWFLSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC2(CCCCC2)CC1 ZINC001473384691 937198589 /nfs/dbraw/zinc/19/85/89/937198589.db2.gz VURLOFJVDTYAFL-KRWDZBQOSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC001473384691 937198591 /nfs/dbraw/zinc/19/85/91/937198591.db2.gz VURLOFJVDTYAFL-KRWDZBQOSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC001473384691 937198593 /nfs/dbraw/zinc/19/85/93/937198593.db2.gz VURLOFJVDTYAFL-KRWDZBQOSA-N 2 1 296.499 3.124 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCc1ccc(Cl)cc1 ZINC001474575474 937206656 /nfs/dbraw/zinc/20/66/56/937206656.db2.gz JZTJQVKMYGAMGA-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]CCc1ccc(Cl)cc1 ZINC001474575474 937206658 /nfs/dbraw/zinc/20/66/58/937206658.db2.gz JZTJQVKMYGAMGA-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001560326745 937211746 /nfs/dbraw/zinc/21/17/46/937211746.db2.gz JSWTYAZGLCXEPG-CQSZACIVSA-N 2 1 278.440 3.317 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001560326745 937211748 /nfs/dbraw/zinc/21/17/48/937211748.db2.gz JSWTYAZGLCXEPG-CQSZACIVSA-N 2 1 278.440 3.317 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001308203254 928817591 /nfs/dbraw/zinc/81/75/91/928817591.db2.gz NMWUYSIWMQSTMQ-RCCFBDPRSA-N 2 1 296.499 3.436 20 0 CGADMP COCC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001459541103 937491259 /nfs/dbraw/zinc/49/12/59/937491259.db2.gz KGIBUEVJGUJDMH-AEFFLSMTSA-N 2 1 290.451 3.038 20 0 CGADMP COCC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001459541103 937491260 /nfs/dbraw/zinc/49/12/60/937491260.db2.gz KGIBUEVJGUJDMH-AEFFLSMTSA-N 2 1 290.451 3.038 20 0 CGADMP COCC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001459541103 937491261 /nfs/dbraw/zinc/49/12/61/937491261.db2.gz KGIBUEVJGUJDMH-AEFFLSMTSA-N 2 1 290.451 3.038 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC3CCC2CC3)CC[N@@H+]1C ZINC001459614305 937493560 /nfs/dbraw/zinc/49/35/60/937493560.db2.gz PSEBHSKYVRLBTN-LKRQVQDUSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC3CCC2CC3)CC[N@H+]1C ZINC001459614305 937493562 /nfs/dbraw/zinc/49/35/62/937493562.db2.gz PSEBHSKYVRLBTN-LKRQVQDUSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC3CCC2CC3)CC[NH+]1C ZINC001459614305 937493564 /nfs/dbraw/zinc/49/35/64/937493564.db2.gz PSEBHSKYVRLBTN-LKRQVQDUSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC3CCC2CC3)CC[NH+]1C ZINC001459614305 937493566 /nfs/dbraw/zinc/49/35/66/937493566.db2.gz PSEBHSKYVRLBTN-LKRQVQDUSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C(C)(C)C ZINC001460710912 937541226 /nfs/dbraw/zinc/54/12/26/937541226.db2.gz QJWXKIOORBNAJA-LSDHHAIUSA-N 2 1 275.440 3.274 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC001229624629 932180037 /nfs/dbraw/zinc/18/00/37/932180037.db2.gz CVHCGBNYVORRJU-PBHICJAKSA-N 2 1 276.424 3.171 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@](C)(CC)OC)CC1 ZINC001461925586 937607087 /nfs/dbraw/zinc/60/70/87/937607087.db2.gz FOXHAKXKPSIOOU-QGZVFWFLSA-N 2 1 284.488 3.245 20 0 CGADMP CCC[C@@]1(C)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001461969314 937609937 /nfs/dbraw/zinc/60/99/37/937609937.db2.gz PJUBLHGXSROUSQ-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](CC(C)C)C2CCOCC2)C1 ZINC001333148750 932755869 /nfs/dbraw/zinc/75/58/69/932755869.db2.gz AAXVJEAGFNWOCU-SJLPKXTDSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1nc(NCCC2CC[NH+](C(C)C)CC2)c(C)c(C)[nH+]1 ZINC001307177464 932775429 /nfs/dbraw/zinc/77/54/29/932775429.db2.gz FRPVVXSDLBWCQA-UHFFFAOYSA-N 2 1 290.455 3.324 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC(OC(C)C)C1 ZINC001462271897 937629432 /nfs/dbraw/zinc/62/94/32/937629432.db2.gz ZUDXEHZERIQNSZ-CGZBRXJRSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001462326191 937632373 /nfs/dbraw/zinc/63/23/73/937632373.db2.gz JMUTZPDAOMLQIE-DLBZAZTESA-N 2 1 286.463 3.113 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1 ZINC001462336948 937633319 /nfs/dbraw/zinc/63/33/19/937633319.db2.gz TWEVCQABMPGJDG-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1 ZINC001462336948 937633320 /nfs/dbraw/zinc/63/33/20/937633320.db2.gz TWEVCQABMPGJDG-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC(C)(C)CC(C)(C)C2)CC1 ZINC001462417701 937639017 /nfs/dbraw/zinc/63/90/17/937639017.db2.gz JBHJFOSOEADVCI-UHFFFAOYSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC001307515316 932964722 /nfs/dbraw/zinc/96/47/22/932964722.db2.gz ZYOLMFZIFQIDPI-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC001307515316 932964728 /nfs/dbraw/zinc/96/47/28/932964728.db2.gz ZYOLMFZIFQIDPI-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC001307515316 932964731 /nfs/dbraw/zinc/96/47/31/932964731.db2.gz ZYOLMFZIFQIDPI-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001307521984 932965267 /nfs/dbraw/zinc/96/52/67/932965267.db2.gz UQNBCFHXKDHYLJ-DLBZAZTESA-N 2 1 298.515 3.491 20 0 CGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CCN1c1cc[nH+]cc1 ZINC001308041407 933039152 /nfs/dbraw/zinc/03/91/52/933039152.db2.gz SRTOQTDGMPSSKK-OAHLLOKOSA-N 2 1 287.451 3.418 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001462673641 937659110 /nfs/dbraw/zinc/65/91/10/937659110.db2.gz XULMIXQNDNLSES-JKJDWNRSSA-N 2 1 264.457 3.131 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C)nc(C)c1 ZINC001308745512 933168837 /nfs/dbraw/zinc/16/88/37/933168837.db2.gz XQNHVHXZECCXRR-UHFFFAOYSA-N 2 1 275.440 3.006 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)nc(C)c1 ZINC001308745512 933168839 /nfs/dbraw/zinc/16/88/39/933168839.db2.gz XQNHVHXZECCXRR-UHFFFAOYSA-N 2 1 275.440 3.006 20 0 CGADMP Cc1c(Cl)cccc1CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001308904789 933200719 /nfs/dbraw/zinc/20/07/19/933200719.db2.gz UQNBPVITLCODMQ-GDBMZVCRSA-N 2 1 278.827 3.174 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)C1CCCCC1 ZINC001319198494 933841140 /nfs/dbraw/zinc/84/11/40/933841140.db2.gz DSSGSHWHJLHCBA-BPUTZDHNSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001319468695 933881643 /nfs/dbraw/zinc/88/16/43/933881643.db2.gz FNQZYMZBRPKAJO-BLLLJJGKSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001319468695 933881647 /nfs/dbraw/zinc/88/16/47/933881647.db2.gz FNQZYMZBRPKAJO-BLLLJJGKSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC001319753570 933927180 /nfs/dbraw/zinc/92/71/80/933927180.db2.gz DYTUSORCFPNMPE-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP C[C@H](C[NH2+]CCc1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001319912351 933955988 /nfs/dbraw/zinc/95/59/88/933955988.db2.gz DRHLIOCXMZQOOR-HUUCEWRRSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@H](C[NH2+]CCc1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001319912351 933955994 /nfs/dbraw/zinc/95/59/94/933955994.db2.gz DRHLIOCXMZQOOR-HUUCEWRRSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H]([NH2+]C1(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001320409329 934045100 /nfs/dbraw/zinc/04/51/00/934045100.db2.gz CTLJSHPRZSMWJP-ZBFHGGJFSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001321020868 934136450 /nfs/dbraw/zinc/13/64/50/934136450.db2.gz XXGSEXFUSKFNLW-CBBWQLFWSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC001322523212 934310280 /nfs/dbraw/zinc/31/02/80/934310280.db2.gz QFGQMMREFOHIDG-JSGCOSHPSA-N 2 1 298.390 3.341 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001322641877 934322967 /nfs/dbraw/zinc/32/29/67/934322967.db2.gz DKDMJZDGUQSMHZ-HZSPNIEDSA-N 2 1 272.502 3.369 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407008 934497918 /nfs/dbraw/zinc/49/79/18/934497918.db2.gz HQKNXLIPVPFJIQ-HOCLYGCPSA-N 2 1 292.471 3.155 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407008 934497925 /nfs/dbraw/zinc/49/79/25/934497925.db2.gz HQKNXLIPVPFJIQ-HOCLYGCPSA-N 2 1 292.471 3.155 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454708 934506456 /nfs/dbraw/zinc/50/64/56/934506456.db2.gz GJBASNUSIJVFPX-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454708 934506465 /nfs/dbraw/zinc/50/64/65/934506465.db2.gz GJBASNUSIJVFPX-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454708 934506473 /nfs/dbraw/zinc/50/64/73/934506473.db2.gz GJBASNUSIJVFPX-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)c2ccccc21 ZINC001325718291 934924758 /nfs/dbraw/zinc/92/47/58/934924758.db2.gz RRXUSRIIABVAPW-RBUKOAKNSA-N 2 1 278.399 3.410 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC001326045544 934946990 /nfs/dbraw/zinc/94/69/90/934946990.db2.gz JFHKZFNYNSEAKJ-PMPSAXMXSA-N 2 1 296.499 3.290 20 0 CGADMP c1ccc([C@@]23CCCC[C@H]2C[N@@H+]3CC2CC[NH2+]CC2)cc1 ZINC001326230689 934961598 /nfs/dbraw/zinc/96/15/98/934961598.db2.gz DMGFHKJHZMYKEG-OALUTQOASA-N 2 1 284.447 3.387 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC001329022975 935179128 /nfs/dbraw/zinc/17/91/28/935179128.db2.gz IJCRFZUBKWATNY-GWCFXTLKSA-N 2 1 284.856 3.465 20 0 CGADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n(C2CC2)c1 ZINC001330810990 935324894 /nfs/dbraw/zinc/32/48/94/935324894.db2.gz QCPSRUDOZREDPE-MRXNPFEDSA-N 2 1 287.451 3.035 20 0 CGADMP CC1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001331228358 935359794 /nfs/dbraw/zinc/35/97/94/935359794.db2.gz ADWVWVHEPNJHMJ-BBWFWOEESA-N 2 1 270.420 3.182 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC001331835885 935413047 /nfs/dbraw/zinc/41/30/47/935413047.db2.gz SRHHAMCMSDWXPI-CYBMUJFWSA-N 2 1 266.388 3.344 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC001332230507 935451196 /nfs/dbraw/zinc/45/11/96/935451196.db2.gz FXXAPGHGMOHLHL-QXSJWSMHSA-N 2 1 282.472 3.043 20 0 CGADMP FC(F)(F)CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001334873492 936119860 /nfs/dbraw/zinc/11/98/60/936119860.db2.gz UKEIBDDHGHTFFI-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP FC(F)(F)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001334873492 936119861 /nfs/dbraw/zinc/11/98/61/936119861.db2.gz UKEIBDDHGHTFFI-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(F)(F)F)C[C@@H]1C ZINC001334871534 936119889 /nfs/dbraw/zinc/11/98/89/936119889.db2.gz BFFIQRYSJFLNIV-NWDGAFQWSA-N 2 1 266.351 3.134 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(F)(F)F)C[C@@H]1C ZINC001334871534 936119890 /nfs/dbraw/zinc/11/98/90/936119890.db2.gz BFFIQRYSJFLNIV-NWDGAFQWSA-N 2 1 266.351 3.134 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001337825549 936291977 /nfs/dbraw/zinc/29/19/77/936291977.db2.gz XNKXQVRAHCJHTM-CFVMTHIKSA-N 2 1 299.443 3.122 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001473810103 937822687 /nfs/dbraw/zinc/82/26/87/937822687.db2.gz ULRMJITXFSQFIA-GJZGRUSLSA-N 2 1 299.393 3.492 20 0 CGADMP C[C@H](c1ccccc1Cl)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842107 937824382 /nfs/dbraw/zinc/82/43/82/937824382.db2.gz JXLSOKBFHZDNBL-IOASZLSFSA-N 2 1 278.827 3.285 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC001473928600 937830696 /nfs/dbraw/zinc/83/06/96/937830696.db2.gz WKNTZQFIUAPDKQ-UHFFFAOYSA-N 2 1 289.398 3.194 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC001473928600 937830699 /nfs/dbraw/zinc/83/06/99/937830699.db2.gz WKNTZQFIUAPDKQ-UHFFFAOYSA-N 2 1 289.398 3.194 20 0 CGADMP Cc1ncsc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC001473936554 937831237 /nfs/dbraw/zinc/83/12/37/937831237.db2.gz ALORCJCELDFVNB-CYBMUJFWSA-N 2 1 281.469 3.196 20 0 CGADMP CC(C)n1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC001473936608 937831261 /nfs/dbraw/zinc/83/12/61/937831261.db2.gz CVAVXHXLDWPTDL-INIZCTEOSA-N 2 1 292.471 3.208 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](CCC)OC)CC1 ZINC001474356701 937853811 /nfs/dbraw/zinc/85/38/11/937853811.db2.gz RCHUMVHMGCUCBU-KRWDZBQOSA-N 2 1 284.488 3.245 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCc2ccc(C)c(C)c2)CC1 ZINC001474412886 937858476 /nfs/dbraw/zinc/85/84/76/937858476.db2.gz KYHQUQPVNOZCJS-UHFFFAOYSA-N 2 1 274.452 3.262 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCc2ccc(C)c(C)c2)CC1 ZINC001474412886 937858478 /nfs/dbraw/zinc/85/84/78/937858478.db2.gz KYHQUQPVNOZCJS-UHFFFAOYSA-N 2 1 274.452 3.262 20 0 CGADMP CC(C)SCC[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001474647972 937872872 /nfs/dbraw/zinc/87/28/72/937872872.db2.gz WMMLEFTXCFXBBS-LSDHHAIUSA-N 2 1 272.502 3.180 20 0 CGADMP CC1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001474671687 937874195 /nfs/dbraw/zinc/87/41/95/937874195.db2.gz XIHKMHUBQDACFR-XUJLQICISA-N 2 1 250.430 3.172 20 0 CGADMP CC1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001474671687 937874196 /nfs/dbraw/zinc/87/41/96/937874196.db2.gz XIHKMHUBQDACFR-XUJLQICISA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)C1 ZINC001474741344 937878529 /nfs/dbraw/zinc/87/85/29/937878529.db2.gz UGAZPUXZSCBKOF-CABCVRRESA-N 2 1 254.462 3.332 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001550935120 938172796 /nfs/dbraw/zinc/17/27/96/938172796.db2.gz SSWJCAURLBNGEX-WZGPROSRSA-N 2 1 284.447 3.112 20 0 CGADMP CCc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2[NH3+])s1 ZINC001551401153 938181419 /nfs/dbraw/zinc/18/14/19/938181419.db2.gz HKEQVBFGMUNHAS-HOTGVXAUSA-N 2 1 272.417 3.025 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001559524535 938228557 /nfs/dbraw/zinc/22/85/57/938228557.db2.gz HSUFKWFKNCXWQB-LSDHHAIUSA-N 2 1 254.462 3.473 20 0 CGADMP OC1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCCC1 ZINC001559550783 938229127 /nfs/dbraw/zinc/22/91/27/938229127.db2.gz RJJFPXFHSUBZCN-QGZVFWFLSA-N 2 1 294.483 3.022 20 0 CGADMP CCc1cccc(Cl)c1CN[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001560623420 938266557 /nfs/dbraw/zinc/26/65/57/938266557.db2.gz WTYMSHAFXMGTMW-YSVLISHTSA-N 2 1 292.854 3.332 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001560623420 938266558 /nfs/dbraw/zinc/26/65/58/938266558.db2.gz WTYMSHAFXMGTMW-YSVLISHTSA-N 2 1 292.854 3.332 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001560623420 938266560 /nfs/dbraw/zinc/26/65/60/938266560.db2.gz WTYMSHAFXMGTMW-YSVLISHTSA-N 2 1 292.854 3.332 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC001560681220 938269626 /nfs/dbraw/zinc/26/96/26/938269626.db2.gz WNNNCXJIEHHTHW-UHFFFAOYSA-N 2 1 299.462 3.485 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC001560681220 938269627 /nfs/dbraw/zinc/26/96/27/938269627.db2.gz WNNNCXJIEHHTHW-UHFFFAOYSA-N 2 1 299.462 3.485 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001560756006 938274368 /nfs/dbraw/zinc/27/43/68/938274368.db2.gz XOEWCHVNXIMUNT-RCCFBDPRSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1coc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001560948329 938285742 /nfs/dbraw/zinc/28/57/42/938285742.db2.gz UNUMCMTWGMXWRP-GOEBONIOSA-N 2 1 264.413 3.140 20 0 CGADMP Cc1coc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001560948329 938285743 /nfs/dbraw/zinc/28/57/43/938285743.db2.gz UNUMCMTWGMXWRP-GOEBONIOSA-N 2 1 264.413 3.140 20 0 CGADMP Cc1coc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001560948330 938285834 /nfs/dbraw/zinc/28/58/34/938285834.db2.gz UNUMCMTWGMXWRP-HOCLYGCPSA-N 2 1 264.413 3.140 20 0 CGADMP Cc1coc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001560948330 938285835 /nfs/dbraw/zinc/28/58/35/938285835.db2.gz UNUMCMTWGMXWRP-HOCLYGCPSA-N 2 1 264.413 3.140 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001258774434 960428940 /nfs/dbraw/zinc/42/89/40/960428940.db2.gz OCGDZYMCDGPQLV-KRWDZBQOSA-N 2 1 273.424 3.093 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001258774434 960428947 /nfs/dbraw/zinc/42/89/47/960428947.db2.gz OCGDZYMCDGPQLV-KRWDZBQOSA-N 2 1 273.424 3.093 20 0 CGADMP CC(C)(C[NH3+])C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC001575315528 962367981 /nfs/dbraw/zinc/36/79/81/962367981.db2.gz RBISYKFKMLNADQ-AWEZNQCLSA-N 2 1 278.465 3.086 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001575423772 962374249 /nfs/dbraw/zinc/37/42/49/962374249.db2.gz XQZIDVMKXDDTQJ-QZTJIDSGSA-N 2 1 274.452 3.172 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001575655757 962407714 /nfs/dbraw/zinc/40/77/14/962407714.db2.gz PQUMLMZGHDFFCU-MSOLQXFVSA-N 2 1 272.436 3.069 20 0 CGADMP CC(C)[N@@H+](C[C@@]12C[C@@H]1C[NH2+]C2)[C@@H](C)c1ccsc1 ZINC001575690659 962413053 /nfs/dbraw/zinc/41/30/53/962413053.db2.gz NGVQCDWDXHDNBF-CFVMTHIKSA-N 2 1 264.438 3.129 20 0 CGADMP CC(C)c1ccc(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)cc1 ZINC001575854366 962420875 /nfs/dbraw/zinc/42/08/75/962420875.db2.gz MDKFKJNSAJVHBV-CYBMUJFWSA-N 2 1 274.330 3.179 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576309720 962452662 /nfs/dbraw/zinc/45/26/62/962452662.db2.gz COKKCWFZHKUVNM-HYVNUMGLSA-N 2 1 258.409 3.199 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1nc2ccccc2s1 ZINC001576243488 962452982 /nfs/dbraw/zinc/45/29/82/962452982.db2.gz CKMHEXZYSBXEOY-QWHCGFSZSA-N 2 1 289.448 3.337 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC001576435227 962455605 /nfs/dbraw/zinc/45/56/05/962455605.db2.gz SQYCHPNWEIONHF-GJZGRUSLSA-N 2 1 252.446 3.406 20 0 CGADMP CC1(C)CCC(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001576409745 962459976 /nfs/dbraw/zinc/45/99/76/962459976.db2.gz MVHRIWCVZDAUNE-ZBFHGGJFSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001576850871 962488863 /nfs/dbraw/zinc/48/88/63/962488863.db2.gz WXPXEMUAMYALBW-DZJNRPSUSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCC2)C1 ZINC001576849423 962489858 /nfs/dbraw/zinc/48/98/58/962489858.db2.gz FUEYMSGPFYGKMQ-XJKSGUPXSA-N 2 1 292.854 3.349 20 0 CGADMP CCC(CC)(C[NH3+])C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC001577051560 962510956 /nfs/dbraw/zinc/51/09/56/962510956.db2.gz VMXHMWLMUQTSQQ-OAHLLOKOSA-N 2 1 282.472 3.175 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001577340982 962527518 /nfs/dbraw/zinc/52/75/18/962527518.db2.gz OBBBFPPJXZLKNI-HZPDHXFCSA-N 2 1 252.446 3.278 20 0 CGADMP C[N@@H+](CCCc1c(F)cccc1Cl)CC1CC[NH2+]CC1 ZINC001578468990 962594438 /nfs/dbraw/zinc/59/44/38/962594438.db2.gz VZBYDQGQDFCPIZ-UHFFFAOYSA-N 2 1 298.833 3.343 20 0 CGADMP C[N@@H+](Cc1cc(C(C)(C)[NH3+])no1)C1CCCCCC1 ZINC001578485535 962595397 /nfs/dbraw/zinc/59/53/97/962595397.db2.gz HPVSERUXZKHIRM-UHFFFAOYSA-N 2 1 265.401 3.023 20 0 CGADMP COCc1csc(C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1 ZINC001579094524 962614761 /nfs/dbraw/zinc/61/47/61/962614761.db2.gz DTGYGUFXJFPOEM-CYBMUJFWSA-N 2 1 284.469 3.138 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC001579571623 962638325 /nfs/dbraw/zinc/63/83/25/962638325.db2.gz IIVMAKMYCZUUAE-BHMLKFMNSA-N 2 1 272.436 3.294 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC001579571623 962638332 /nfs/dbraw/zinc/63/83/32/962638332.db2.gz IIVMAKMYCZUUAE-BHMLKFMNSA-N 2 1 272.436 3.294 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H](C[NH3+])C(C)C)cc1 ZINC001579684509 962651766 /nfs/dbraw/zinc/65/17/66/962651766.db2.gz HIFJTWASXBNHNN-ZWKOTPCHSA-N 2 1 274.452 3.233 20 0 CGADMP Cc1ccc(C[N@@H+](CC2(C[NH3+])CCC2)C2CC2)cc1C ZINC001579690807 962652398 /nfs/dbraw/zinc/65/23/98/962652398.db2.gz CDZVKTFVRLFUOJ-UHFFFAOYSA-N 2 1 272.436 3.397 20 0 CGADMP Cc1ccc([C@H]2C[C@H](C)[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc1 ZINC001579677735 962658197 /nfs/dbraw/zinc/65/81/97/962658197.db2.gz BHOKHBNNHIGFLQ-FZCLSBEQSA-N 2 1 272.436 3.028 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC001579765424 962669667 /nfs/dbraw/zinc/66/96/67/962669667.db2.gz UHYSVENFNRWBNH-UHFFFAOYSA-N 2 1 254.805 3.065 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC001579765424 962669675 /nfs/dbraw/zinc/66/96/75/962669675.db2.gz UHYSVENFNRWBNH-UHFFFAOYSA-N 2 1 254.805 3.065 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C12CCC2 ZINC001580162808 962695859 /nfs/dbraw/zinc/69/58/59/962695859.db2.gz GAGNGIOOFIQUJC-STQMWFEESA-N 2 1 285.218 3.353 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)C12CCC2 ZINC001580165976 962699506 /nfs/dbraw/zinc/69/95/06/962699506.db2.gz VLBABGLJKOPCAO-UONOGXRCSA-N 2 1 291.464 3.160 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001580157048 962701218 /nfs/dbraw/zinc/70/12/18/962701218.db2.gz DDRGIPMVJWEWMZ-YSHGAJCASA-N 2 1 284.447 3.384 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001580293026 962708205 /nfs/dbraw/zinc/70/82/05/962708205.db2.gz KHHAYASJHNIWEB-QGZVFWFLSA-N 2 1 290.451 3.308 20 0 CGADMP [NH3+]CCCCCC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001580293193 962711144 /nfs/dbraw/zinc/71/11/44/962711144.db2.gz WTGGULDEDKEKCL-HOTGVXAUSA-N 2 1 250.430 3.016 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CCC3C[NH2+]C3)[C@H]3CCCC[C@H]23)cc1 ZINC001580893239 962746445 /nfs/dbraw/zinc/74/64/45/962746445.db2.gz YLUGQUYPRPKALJ-QYZOEREBSA-N 2 1 284.447 3.254 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nn1C ZINC000337521186 214136383 /nfs/dbraw/zinc/13/63/83/214136383.db2.gz PKXWESPAHUMJOM-GOEBONIOSA-N 2 1 292.471 3.034 20 0 CGADMP c1c2cnccc2oc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000651643550 398261417 /nfs/dbraw/zinc/26/14/17/398261417.db2.gz FUHGFTPGTNEVHQ-INIZCTEOSA-N 2 1 299.418 3.278 20 0 CGADMP c1c2cnccc2oc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000651643550 398261419 /nfs/dbraw/zinc/26/14/19/398261419.db2.gz FUHGFTPGTNEVHQ-INIZCTEOSA-N 2 1 299.418 3.278 20 0 CGADMP c1c2cnccc2oc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000651644974 398261618 /nfs/dbraw/zinc/26/16/18/398261618.db2.gz DJGIEMZWGFWDEM-OAHLLOKOSA-N 2 1 299.418 3.136 20 0 CGADMP c1c2cnccc2oc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000651644974 398261619 /nfs/dbraw/zinc/26/16/19/398261619.db2.gz DJGIEMZWGFWDEM-OAHLLOKOSA-N 2 1 299.418 3.136 20 0 CGADMP CC(C)(C[NH2+]Cc1cc2cnccc2o1)C[NH+]1CCCC1 ZINC000651785876 398287167 /nfs/dbraw/zinc/28/71/67/398287167.db2.gz ZJNSBGZNCQAZPM-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP COc1ccc(F)c(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000622043424 349622489 /nfs/dbraw/zinc/62/24/89/349622489.db2.gz APAXIQRCUQMJIZ-DZGCQCFKSA-N 2 1 294.414 3.235 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000337949565 214327944 /nfs/dbraw/zinc/32/79/44/214327944.db2.gz MLQIQALNZYBWCQ-UHFFFAOYSA-N 2 1 294.402 3.228 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000651866033 398298692 /nfs/dbraw/zinc/29/86/92/398298692.db2.gz REDNHRCXSTYHGC-UHFFFAOYSA-N 2 1 270.367 3.032 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000651866033 398298694 /nfs/dbraw/zinc/29/86/94/398298694.db2.gz REDNHRCXSTYHGC-UHFFFAOYSA-N 2 1 270.367 3.032 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337988863 214346452 /nfs/dbraw/zinc/34/64/52/214346452.db2.gz OSGCWGPESLBQGD-RRFJBIMHSA-N 2 1 258.425 3.225 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337988863 214346455 /nfs/dbraw/zinc/34/64/55/214346455.db2.gz OSGCWGPESLBQGD-RRFJBIMHSA-N 2 1 258.425 3.225 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337995624 214351513 /nfs/dbraw/zinc/35/15/13/214351513.db2.gz IYRZHXVRTGVHOT-GJZGRUSLSA-N 2 1 258.425 3.225 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000338010677 214359407 /nfs/dbraw/zinc/35/94/07/214359407.db2.gz HKEWVDZYWVJFFK-AWEZNQCLSA-N 2 1 257.381 3.241 20 0 CGADMP COc1cccc(F)c1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000338012655 214359954 /nfs/dbraw/zinc/35/99/54/214359954.db2.gz LINWQTUJFUGXNV-GFCCVEGCSA-N 2 1 291.370 3.080 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)C1CCOCC1)C1CCCCC1 ZINC000651909971 398304920 /nfs/dbraw/zinc/30/49/20/398304920.db2.gz BYBSJNMZDJEUGQ-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+](CCC[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000651909642 398304945 /nfs/dbraw/zinc/30/49/45/398304945.db2.gz RBUZHFRWPDXHAH-UHFFFAOYSA-N 2 1 275.440 3.216 20 0 CGADMP CC[N@@H+](CCC[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000651909642 398304948 /nfs/dbraw/zinc/30/49/48/398304948.db2.gz RBUZHFRWPDXHAH-UHFFFAOYSA-N 2 1 275.440 3.216 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@@H]1CCCOC1)C1CCCCC1 ZINC000651910576 398305450 /nfs/dbraw/zinc/30/54/50/398305450.db2.gz ZNQXOFAWDLULFD-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000125525127 187189475 /nfs/dbraw/zinc/18/94/75/187189475.db2.gz WSBZPFIZWNNPOA-QGZVFWFLSA-N 2 1 295.430 3.132 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000125691739 187196755 /nfs/dbraw/zinc/19/67/55/187196755.db2.gz PPJLZHNGBOLENX-ZACQAIPSSA-N 2 1 290.451 3.082 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000125783525 187199480 /nfs/dbraw/zinc/19/94/80/187199480.db2.gz BOOJCGYYPDMREM-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000125783525 187199481 /nfs/dbraw/zinc/19/94/81/187199481.db2.gz BOOJCGYYPDMREM-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000125783525 187199482 /nfs/dbraw/zinc/19/94/82/187199482.db2.gz BOOJCGYYPDMREM-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000125898600 187204049 /nfs/dbraw/zinc/20/40/49/187204049.db2.gz FBLMANMPBFQKOD-UONOGXRCSA-N 2 1 250.386 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000125898600 187204050 /nfs/dbraw/zinc/20/40/50/187204050.db2.gz FBLMANMPBFQKOD-UONOGXRCSA-N 2 1 250.386 3.051 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)[C@@H]1C[C@H]1C ZINC000414131877 529585993 /nfs/dbraw/zinc/58/59/93/529585993.db2.gz YLSSMLJQLJDQDH-XYPHTWIQSA-N 2 1 287.451 3.383 20 0 CGADMP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1F ZINC000163462173 529597231 /nfs/dbraw/zinc/59/72/31/529597231.db2.gz XLMIONWOVUALPC-INIZCTEOSA-N 2 1 264.388 3.352 20 0 CGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CC1(C)C ZINC000414068235 529597251 /nfs/dbraw/zinc/59/72/51/529597251.db2.gz AZCYBBFACIIESE-GJZGRUSLSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000336803622 282205645 /nfs/dbraw/zinc/20/56/45/282205645.db2.gz ZBMCICYPPJNAST-ZDUSSCGKSA-N 2 1 255.365 3.158 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2[C@@H]1C ZINC000336803622 282205647 /nfs/dbraw/zinc/20/56/47/282205647.db2.gz ZBMCICYPPJNAST-ZDUSSCGKSA-N 2 1 255.365 3.158 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423220038 529621080 /nfs/dbraw/zinc/62/10/80/529621080.db2.gz XTWXBKUSBJQUAU-WFASDCNBSA-N 2 1 296.842 3.389 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1(C)C ZINC000623339803 349782909 /nfs/dbraw/zinc/78/29/09/349782909.db2.gz KWXSPNFQEBSMTK-ZDUSSCGKSA-N 2 1 298.377 3.250 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1(C)C ZINC000623339803 349782911 /nfs/dbraw/zinc/78/29/11/349782911.db2.gz KWXSPNFQEBSMTK-ZDUSSCGKSA-N 2 1 298.377 3.250 20 0 CGADMP Cc1ccc(O[C@@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000126194882 187223271 /nfs/dbraw/zinc/22/32/71/187223271.db2.gz XFCZSWLVXVTKRB-NBOOPKSLSA-N 2 1 290.451 3.081 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(C)ccc1OC ZINC000424375712 529655973 /nfs/dbraw/zinc/65/59/73/529655973.db2.gz NNVPKFRUEXMQEQ-OWCLPIDISA-N 2 1 276.424 3.314 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623381959 349794655 /nfs/dbraw/zinc/79/46/55/349794655.db2.gz QEHBVBCLJTXWNC-WBVHZDCISA-N 2 1 272.436 3.445 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000623396486 349797777 /nfs/dbraw/zinc/79/77/77/349797777.db2.gz UGGGPDIECXYQIL-CYBMUJFWSA-N 2 1 295.496 3.271 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)CC1(C)C ZINC000623405648 349800972 /nfs/dbraw/zinc/80/09/72/349800972.db2.gz SCCKERBPEXFRHT-CGZBRXJRSA-N 2 1 272.436 3.395 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000414182469 529706518 /nfs/dbraw/zinc/70/65/18/529706518.db2.gz NHIFKHVPXFXGMQ-ZIAGYGMSSA-N 2 1 264.413 3.225 20 0 CGADMP C[C@H]1CC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)C1 ZINC000623428025 349805850 /nfs/dbraw/zinc/80/58/50/349805850.db2.gz WPSALXWFDNPCTJ-MCIONIFRSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623432482 349807771 /nfs/dbraw/zinc/80/77/71/349807771.db2.gz UJVSEEYFSYFMQC-HIFRSBDPSA-N 2 1 278.440 3.372 20 0 CGADMP C[C@H](F)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000351751874 136381215 /nfs/dbraw/zinc/38/12/15/136381215.db2.gz DOWVBRQLHLUCHS-HNNXBMFYSA-N 2 1 293.430 3.368 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2Cl)CC1(C)C ZINC000623471001 349815362 /nfs/dbraw/zinc/81/53/62/349815362.db2.gz KODPNKNUGJPAJM-CYBMUJFWSA-N 2 1 296.842 3.181 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(F)(F)F)CC1(C)C ZINC000623515995 349824913 /nfs/dbraw/zinc/82/49/13/349824913.db2.gz ZCDPMQKMDLSFBR-SNVBAGLBSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000623491171 349819153 /nfs/dbraw/zinc/81/91/53/349819153.db2.gz IARDHLHWHLYKEQ-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3ccoc32)C1 ZINC000449327858 529800336 /nfs/dbraw/zinc/80/03/36/529800336.db2.gz DCVVLVLVUQDVBX-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3ccoc32)C1 ZINC000449327858 529800337 /nfs/dbraw/zinc/80/03/37/529800337.db2.gz DCVVLVLVUQDVBX-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3ccoc32)C1 ZINC000449327858 529800338 /nfs/dbraw/zinc/80/03/38/529800338.db2.gz DCVVLVLVUQDVBX-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623558658 349834360 /nfs/dbraw/zinc/83/43/60/349834360.db2.gz FKSVHNXPNWLKQS-UHFFFAOYSA-N 2 1 273.424 3.235 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623546736 349831461 /nfs/dbraw/zinc/83/14/61/349831461.db2.gz PVJFTKRPCIFVJN-DOTOQJQBSA-N 2 1 289.467 3.255 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)CC1(C)C ZINC000623564305 349835915 /nfs/dbraw/zinc/83/59/15/349835915.db2.gz YZJMFGKOOIUQAD-INIZCTEOSA-N 2 1 297.446 3.240 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000128073596 187348787 /nfs/dbraw/zinc/34/87/87/187348787.db2.gz GIKZXOMBMQNCIX-UONOGXRCSA-N 2 1 278.465 3.242 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000623657581 349859159 /nfs/dbraw/zinc/85/91/59/349859159.db2.gz VAPDRHHLFXFQRE-INIZCTEOSA-N 2 1 283.419 3.056 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623657396 349859629 /nfs/dbraw/zinc/85/96/29/349859629.db2.gz PTFFLYYSWYNQKA-OWCLPIDISA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656731 349858101 /nfs/dbraw/zinc/85/81/01/349858101.db2.gz AMICCMVNKOMOMQ-PMPSAXMXSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@@H+](CCCCOC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC000354860284 529884840 /nfs/dbraw/zinc/88/48/40/529884840.db2.gz LPEYCZTTWWTHLM-MRXNPFEDSA-N 2 1 284.488 3.388 20 0 CGADMP C[NH+](CCCCOC(C)(C)C)CC[C@H]1CCCC[N@@H+]1C ZINC000354860284 529884842 /nfs/dbraw/zinc/88/48/42/529884842.db2.gz LPEYCZTTWWTHLM-MRXNPFEDSA-N 2 1 284.488 3.388 20 0 CGADMP C[NH+](CCCCOC(C)(C)C)CC[C@H]1CCCC[N@H+]1C ZINC000354860284 529884843 /nfs/dbraw/zinc/88/48/43/529884843.db2.gz LPEYCZTTWWTHLM-MRXNPFEDSA-N 2 1 284.488 3.388 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCCCO1 ZINC000623855680 349897307 /nfs/dbraw/zinc/89/73/07/349897307.db2.gz FQYLFOWJZRKZQX-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCCO1 ZINC000623864523 349899612 /nfs/dbraw/zinc/89/96/12/349899612.db2.gz RGABPCJPAMNLPV-MHORFTMASA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCCO2)c1 ZINC000623887683 349906002 /nfs/dbraw/zinc/90/60/02/349906002.db2.gz KCALSGQWHAIDLU-MAUKXSAKSA-N 2 1 290.451 3.186 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423202294 529971483 /nfs/dbraw/zinc/97/14/83/529971483.db2.gz QQOIILPTBXSPLH-JTQLQIEISA-N 2 1 266.772 3.346 20 0 CGADMP C[NH2+]CC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423228518 529978655 /nfs/dbraw/zinc/97/86/55/529978655.db2.gz ZXWUHYRNKXWHOP-HNNXBMFYSA-N 2 1 268.404 3.016 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000423269150 529985974 /nfs/dbraw/zinc/98/59/74/529985974.db2.gz GUAYFRLHGLBADK-CHWSQXEVSA-N 2 1 260.381 3.247 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000038098182 344954651 /nfs/dbraw/zinc/95/46/51/344954651.db2.gz WQVRJEAKUCITOB-CQSZACIVSA-N 2 1 276.424 3.139 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+]C(C2CC2)C2CC2)([NH+](C)C)C1 ZINC000040668355 344964973 /nfs/dbraw/zinc/96/49/73/344964973.db2.gz ZHTLLEHTASYBRS-CXAGYDPISA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000061626954 345231095 /nfs/dbraw/zinc/23/10/95/345231095.db2.gz OSUUBJKAAAFIHQ-ZWNOBZJWSA-N 2 1 272.314 3.017 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000070174730 345388925 /nfs/dbraw/zinc/38/89/25/345388925.db2.gz GUOLWVWSJSHCIB-KGLIPLIRSA-N 2 1 296.842 3.168 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000156165854 232226910 /nfs/dbraw/zinc/22/69/10/232226910.db2.gz PMPWWEDNFZUPIF-LALPHHSUSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000156165854 232226911 /nfs/dbraw/zinc/22/69/11/232226911.db2.gz PMPWWEDNFZUPIF-LALPHHSUSA-N 2 1 266.816 3.473 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000093941485 345893182 /nfs/dbraw/zinc/89/31/82/345893182.db2.gz YREROPGCYIYZAU-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C1CC1)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)C1CC1 ZINC000122283042 346004694 /nfs/dbraw/zinc/00/46/94/346004694.db2.gz DHBPVNVMVWXJGM-DLPZHFSESA-N 2 1 250.430 3.003 20 0 CGADMP C[C@H](C1CC1)[N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)C1CC1 ZINC000122283042 346004699 /nfs/dbraw/zinc/00/46/99/346004699.db2.gz DHBPVNVMVWXJGM-DLPZHFSESA-N 2 1 250.430 3.003 20 0 CGADMP C[C@H](C1CC1)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)C1CC1 ZINC000122283042 346004702 /nfs/dbraw/zinc/00/47/02/346004702.db2.gz DHBPVNVMVWXJGM-DLPZHFSESA-N 2 1 250.430 3.003 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@@H+]1C ZINC000129966571 346053510 /nfs/dbraw/zinc/05/35/10/346053510.db2.gz NLCWCXLGIISXIJ-QNWHQSFQSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@H+]1C ZINC000129966571 346053513 /nfs/dbraw/zinc/05/35/13/346053513.db2.gz NLCWCXLGIISXIJ-QNWHQSFQSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000128872876 346045240 /nfs/dbraw/zinc/04/52/40/346045240.db2.gz IIUVFNROBKHKQH-WTIISPKJSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000128872876 346045241 /nfs/dbraw/zinc/04/52/41/346045241.db2.gz IIUVFNROBKHKQH-WTIISPKJSA-N 2 1 278.362 3.037 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000174310390 346240623 /nfs/dbraw/zinc/24/06/23/346240623.db2.gz SVZBXZAYFAVWIH-FHLIZLRMSA-N 2 1 272.436 3.384 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248376174 346375570 /nfs/dbraw/zinc/37/55/70/346375570.db2.gz ZVEIFZHGXYEMEN-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248376174 346375572 /nfs/dbraw/zinc/37/55/72/346375572.db2.gz ZVEIFZHGXYEMEN-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248376174 346375575 /nfs/dbraw/zinc/37/55/75/346375575.db2.gz ZVEIFZHGXYEMEN-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000255842232 346398275 /nfs/dbraw/zinc/39/82/75/346398275.db2.gz HCMARDYPQODIDQ-JGPFYOFESA-N 2 1 250.430 3.006 20 0 CGADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308614495 346467954 /nfs/dbraw/zinc/46/79/54/346467954.db2.gz OZJIVYQRVJKVLZ-GDBMZVCRSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000311466002 346474131 /nfs/dbraw/zinc/47/41/31/346474131.db2.gz XDCYMLZKKZPPML-CPUCHLNUSA-N 2 1 258.409 3.166 20 0 CGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc2ccccc21 ZINC000584700634 346708401 /nfs/dbraw/zinc/70/84/01/346708401.db2.gz YIRWXVQVKGKGPC-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000339278775 215060493 /nfs/dbraw/zinc/06/04/93/215060493.db2.gz CEHDJJWPRVAIHN-IUODEOHRSA-N 2 1 266.816 3.221 20 0 CGADMP C[C@H](CSCCF)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000595005340 347254451 /nfs/dbraw/zinc/25/44/51/347254451.db2.gz XHLQMVQAAPDDIL-CQSZACIVSA-N 2 1 290.492 3.322 20 0 CGADMP C[C@@H](CSCCF)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595008185 347255020 /nfs/dbraw/zinc/25/50/20/347255020.db2.gz BQZZJWYASAGWLE-ZNMIVQPWSA-N 2 1 290.492 3.035 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000351861613 219228853 /nfs/dbraw/zinc/22/88/53/219228853.db2.gz LBRKDRQXLRHQEZ-OLZOCXBDSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000351864687 219230219 /nfs/dbraw/zinc/23/02/19/219230219.db2.gz YXGWXPYASMEXED-YDHLFZDLSA-N 2 1 285.391 3.072 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000351864687 219230222 /nfs/dbraw/zinc/23/02/22/219230222.db2.gz YXGWXPYASMEXED-YDHLFZDLSA-N 2 1 285.391 3.072 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000624120511 349976471 /nfs/dbraw/zinc/97/64/71/349976471.db2.gz ARZFANWWCQXBEE-INIZCTEOSA-N 2 1 294.483 3.047 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120360 349976835 /nfs/dbraw/zinc/97/68/35/349976835.db2.gz XGHNHPZNQOJRHJ-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120360 349976837 /nfs/dbraw/zinc/97/68/37/349976837.db2.gz XGHNHPZNQOJRHJ-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120359 349977474 /nfs/dbraw/zinc/97/74/74/349977474.db2.gz XGHNHPZNQOJRHJ-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120359 349977477 /nfs/dbraw/zinc/97/74/77/349977477.db2.gz XGHNHPZNQOJRHJ-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1F ZINC000624120371 349977515 /nfs/dbraw/zinc/97/75/15/349977515.db2.gz XLPKKJUBNZFCKA-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121909 349979637 /nfs/dbraw/zinc/97/96/37/349979637.db2.gz FWJXLVDGQHGPTM-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@@H]1C ZINC000624121777 349979846 /nfs/dbraw/zinc/97/98/46/349979846.db2.gz CVIGWKKHVBMFBH-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120700 349978295 /nfs/dbraw/zinc/97/82/95/349978295.db2.gz FIYFIXCUQHBGJA-WBVHZDCISA-N 2 1 292.442 3.468 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000624123143 349981174 /nfs/dbraw/zinc/98/11/74/349981174.db2.gz GNHOMJQOENPFAN-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000624122986 349981431 /nfs/dbraw/zinc/98/14/31/349981431.db2.gz CHXXXSFOYBPITN-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@H]1C ZINC000624121776 349980426 /nfs/dbraw/zinc/98/04/26/349980426.db2.gz CVIGWKKHVBMFBH-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624121808 349980502 /nfs/dbraw/zinc/98/05/02/349980502.db2.gz DIXHVDUZOUESIS-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624121808 349980507 /nfs/dbraw/zinc/98/05/07/349980507.db2.gz DIXHVDUZOUESIS-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000624123043 349981738 /nfs/dbraw/zinc/98/17/38/349981738.db2.gz DQGISFVEDMBVSG-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C[NH+](C)C1CCCC1)C[N@@H+](C)C1CCCC1 ZINC000605572018 348162594 /nfs/dbraw/zinc/16/25/94/348162594.db2.gz GCIPPZSFIJDLMF-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CCCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000606432890 348181970 /nfs/dbraw/zinc/18/19/70/348181970.db2.gz RRNSJBPUXPIDCL-UHFFFAOYSA-N 2 1 274.452 3.413 20 0 CGADMP C[C@@H]1C[C@H](C)[NH+](C/C=C/C[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000607155683 348225774 /nfs/dbraw/zinc/22/57/74/348225774.db2.gz YGIXCULNXGPMPI-MCSPIAHPSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339405481 215151204 /nfs/dbraw/zinc/15/12/04/215151204.db2.gz ALNGIZSUHUODPS-VXGBXAGGSA-N 2 1 284.806 3.081 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCCOc1ccccc1 ZINC000339409412 215153324 /nfs/dbraw/zinc/15/33/24/215153324.db2.gz MEZBKYGNQFXNDX-QGZVFWFLSA-N 2 1 278.440 3.151 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339440690 215172059 /nfs/dbraw/zinc/17/20/59/215172059.db2.gz YZRUSNSMKLWOAG-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339440690 215172061 /nfs/dbraw/zinc/17/20/61/215172061.db2.gz YZRUSNSMKLWOAG-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339440690 215172063 /nfs/dbraw/zinc/17/20/63/215172063.db2.gz YZRUSNSMKLWOAG-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000358005536 233035774 /nfs/dbraw/zinc/03/57/74/233035774.db2.gz NRDBQPQMARGFCI-HEHGZKQESA-N 2 1 269.392 3.487 20 0 CGADMP C[C@H](F)CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000339498203 215211518 /nfs/dbraw/zinc/21/15/18/215211518.db2.gz YMXWYPMUXVCNQJ-HNNXBMFYSA-N 2 1 280.431 3.482 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC1 ZINC000358197357 233078231 /nfs/dbraw/zinc/07/82/31/233078231.db2.gz WZOWMKDADNRWRQ-NVXWUHKLSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC1 ZINC000358197357 233078233 /nfs/dbraw/zinc/07/82/33/233078233.db2.gz WZOWMKDADNRWRQ-NVXWUHKLSA-N 2 1 272.436 3.287 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359207022 233279742 /nfs/dbraw/zinc/27/97/42/233279742.db2.gz IIGLAVZXSVSIQL-SFHVURJKSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280700 191046760 /nfs/dbraw/zinc/04/67/60/191046760.db2.gz MAJNCBKOLJKADK-NVXWUHKLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280700 191046763 /nfs/dbraw/zinc/04/67/63/191046763.db2.gz MAJNCBKOLJKADK-NVXWUHKLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280700 191046766 /nfs/dbraw/zinc/04/67/66/191046766.db2.gz MAJNCBKOLJKADK-NVXWUHKLSA-N 2 1 283.419 3.084 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000352123208 219328448 /nfs/dbraw/zinc/32/84/48/219328448.db2.gz LKOHTMXRVSCWMQ-OAGGEKHMSA-N 2 1 290.451 3.176 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000352123208 219328449 /nfs/dbraw/zinc/32/84/49/219328449.db2.gz LKOHTMXRVSCWMQ-OAGGEKHMSA-N 2 1 290.451 3.176 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000628173676 350422294 /nfs/dbraw/zinc/42/22/94/350422294.db2.gz GKTVYWWFHFPAKJ-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1(C(F)F)CCCCC1 ZINC000352193167 219353902 /nfs/dbraw/zinc/35/39/02/219353902.db2.gz BPZYPVNZSLFOGV-UHFFFAOYSA-N 2 1 271.355 3.139 20 0 CGADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)o1 ZINC000628232958 350454183 /nfs/dbraw/zinc/45/41/83/350454183.db2.gz WNLUHZAWPLQPKO-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000628232958 350454186 /nfs/dbraw/zinc/45/41/86/350454186.db2.gz WNLUHZAWPLQPKO-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1C[NH+](C)C ZINC000628309496 350492570 /nfs/dbraw/zinc/49/25/70/350492570.db2.gz ZOHWZOHTRBYPDU-QGZVFWFLSA-N 2 1 289.467 3.341 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000628292796 350481392 /nfs/dbraw/zinc/48/13/92/350481392.db2.gz UVEGQTCVKMXFQA-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000628292796 350481396 /nfs/dbraw/zinc/48/13/96/350481396.db2.gz UVEGQTCVKMXFQA-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000628292796 350481399 /nfs/dbraw/zinc/48/13/99/350481399.db2.gz UVEGQTCVKMXFQA-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000629528389 350703268 /nfs/dbraw/zinc/70/32/68/350703268.db2.gz YCZIJVVPFKATBV-KNXALSJPSA-N 2 1 282.378 3.016 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000629531295 350703681 /nfs/dbraw/zinc/70/36/81/350703681.db2.gz GRIARTPFBGFXOA-VXGBXAGGSA-N 2 1 262.388 3.178 20 0 CGADMP CCC[C@H](C)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629531852 350704381 /nfs/dbraw/zinc/70/43/81/350704381.db2.gz APAXLZMGIRDGRL-HRCADAONSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629537025 350705616 /nfs/dbraw/zinc/70/56/16/350705616.db2.gz INGGPMSTIGSESZ-JLSDUUJJSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000629543961 350708460 /nfs/dbraw/zinc/70/84/60/350708460.db2.gz HEBLMCJIELKOCL-MCYUEQNJSA-N 2 1 266.816 3.172 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1C(F)(F)F ZINC000629561341 350714039 /nfs/dbraw/zinc/71/40/39/350714039.db2.gz IMYCPXNHTBIVGX-UONOGXRCSA-N 2 1 292.389 3.416 20 0 CGADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629575279 350714137 /nfs/dbraw/zinc/71/41/37/350714137.db2.gz NNRKSXCUKFKTDD-CZUORRHYSA-N 2 1 276.399 3.003 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585004 350714769 /nfs/dbraw/zinc/71/47/69/350714769.db2.gz JJIZUKNKXAPYAF-ZACQAIPSSA-N 2 1 276.399 3.208 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585004 350714773 /nfs/dbraw/zinc/71/47/73/350714773.db2.gz JJIZUKNKXAPYAF-ZACQAIPSSA-N 2 1 276.399 3.208 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000629389414 350687530 /nfs/dbraw/zinc/68/75/30/350687530.db2.gz XQAYCTGEJKIEEV-LTIDMASMSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396378 350688238 /nfs/dbraw/zinc/68/82/38/350688238.db2.gz LJKCZBVTAXSRCR-TYNCELHUSA-N 2 1 266.816 3.001 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629395840 350688521 /nfs/dbraw/zinc/68/85/21/350688521.db2.gz GLNBJLWPGLNBGN-HLLBOEOZSA-N 2 1 260.425 3.046 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629397368 350688575 /nfs/dbraw/zinc/68/85/75/350688575.db2.gz UFWKVJFTQMPIJT-UAGQMJEPSA-N 2 1 260.425 3.128 20 0 CGADMP Cc1ccc2ncc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cc2c1 ZINC000629513556 350699587 /nfs/dbraw/zinc/69/95/87/350699587.db2.gz HXBSTMFJKGTYEV-KRWDZBQOSA-N 2 1 271.408 3.006 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(C)ccn1 ZINC000631564701 351067940 /nfs/dbraw/zinc/06/79/40/351067940.db2.gz ZJXOMFYMKZKCBH-INIZCTEOSA-N 2 1 275.440 3.307 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC000631571810 351071802 /nfs/dbraw/zinc/07/18/02/351071802.db2.gz IRTOJQDORZVROS-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000631838159 351150417 /nfs/dbraw/zinc/15/04/17/351150417.db2.gz JRKQTUOKNQBOJQ-GXTWGEPZSA-N 2 1 296.842 3.154 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000631838159 351150419 /nfs/dbraw/zinc/15/04/19/351150419.db2.gz JRKQTUOKNQBOJQ-GXTWGEPZSA-N 2 1 296.842 3.154 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000631861332 351151131 /nfs/dbraw/zinc/15/11/31/351151131.db2.gz ZCYPJIRGIPZRIO-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000631861332 351151133 /nfs/dbraw/zinc/15/11/33/351151133.db2.gz ZCYPJIRGIPZRIO-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336514451 213391609 /nfs/dbraw/zinc/39/16/09/213391609.db2.gz FTMYBXCHXARYPP-UONOGXRCSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336514451 213391611 /nfs/dbraw/zinc/39/16/11/213391611.db2.gz FTMYBXCHXARYPP-UONOGXRCSA-N 2 1 264.388 3.303 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352242530 219380750 /nfs/dbraw/zinc/38/07/50/219380750.db2.gz RMLVKDITYXQYPZ-FNORWQNLSA-N 2 1 282.378 3.300 20 0 CGADMP C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000634683535 351569746 /nfs/dbraw/zinc/56/97/46/351569746.db2.gz SVFNHCGPWFQMRU-XHSDSOJGSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000339849288 215363310 /nfs/dbraw/zinc/36/33/10/215363310.db2.gz KLJZZNSQXUNBBM-SFHVURJKSA-N 2 1 272.436 3.159 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123081617 187069654 /nfs/dbraw/zinc/06/96/54/187069654.db2.gz LCUURNSOFAPDFL-INMHGKMJSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123081617 187069655 /nfs/dbraw/zinc/06/96/55/187069655.db2.gz LCUURNSOFAPDFL-INMHGKMJSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123081617 187069656 /nfs/dbraw/zinc/06/96/56/187069656.db2.gz LCUURNSOFAPDFL-INMHGKMJSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123081617 187069657 /nfs/dbraw/zinc/06/96/57/187069657.db2.gz LCUURNSOFAPDFL-INMHGKMJSA-N 2 1 260.425 3.205 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000292053985 198147301 /nfs/dbraw/zinc/14/73/01/198147301.db2.gz BUXVOGDMLIVSPD-ROUUACIJSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000292053985 198147303 /nfs/dbraw/zinc/14/73/03/198147303.db2.gz BUXVOGDMLIVSPD-ROUUACIJSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000292053985 198147304 /nfs/dbraw/zinc/14/73/04/198147304.db2.gz BUXVOGDMLIVSPD-ROUUACIJSA-N 2 1 270.420 3.092 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113411 198167056 /nfs/dbraw/zinc/16/70/56/198167056.db2.gz JHSZFMCRNTVZPR-PBHICJAKSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113411 198167058 /nfs/dbraw/zinc/16/70/58/198167058.db2.gz JHSZFMCRNTVZPR-PBHICJAKSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113411 198167059 /nfs/dbraw/zinc/16/70/59/198167059.db2.gz JHSZFMCRNTVZPR-PBHICJAKSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113411 198167061 /nfs/dbraw/zinc/16/70/61/198167061.db2.gz JHSZFMCRNTVZPR-PBHICJAKSA-N 2 1 292.854 3.471 20 0 CGADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000152651395 188035268 /nfs/dbraw/zinc/03/52/68/188035268.db2.gz BAGCEMFGRXPNLX-BBRMVZONSA-N 2 1 258.409 3.227 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000153105359 188065065 /nfs/dbraw/zinc/06/50/65/188065065.db2.gz VZYGDKBRGWIEPZ-DYVFJYSZSA-N 2 1 285.391 3.010 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368564343 234321536 /nfs/dbraw/zinc/32/15/36/234321536.db2.gz QXEDBOJTMYYEIK-ZTFGCOKTSA-N 2 1 290.426 3.363 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cncc(F)c1)C(C)C ZINC000155835850 188230993 /nfs/dbraw/zinc/23/09/93/188230993.db2.gz XEHZBQACSLBNHI-CQSZACIVSA-N 2 1 281.419 3.380 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156192586 188248977 /nfs/dbraw/zinc/24/89/77/188248977.db2.gz POQLYXAAROIYIB-QLFBSQMISA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156192586 188248979 /nfs/dbraw/zinc/24/89/79/188248979.db2.gz POQLYXAAROIYIB-QLFBSQMISA-N 2 1 276.424 3.219 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156209719 188249249 /nfs/dbraw/zinc/24/92/49/188249249.db2.gz SWRHUEDHELMAAD-INMHGKMJSA-N 2 1 260.425 3.253 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccncc1)C(C)C ZINC000156725881 188278245 /nfs/dbraw/zinc/27/82/45/188278245.db2.gz XPGBVEHZXUFAOU-HNNXBMFYSA-N 2 1 263.429 3.241 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cs1 ZINC000292628295 198356107 /nfs/dbraw/zinc/35/61/07/198356107.db2.gz IJOALJPDQNKYID-UHFFFAOYSA-N 2 1 252.427 3.019 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000336394559 213252094 /nfs/dbraw/zinc/25/20/94/213252094.db2.gz AHFWBVBAHXTYQO-HTWSVDAQSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000352468010 219470658 /nfs/dbraw/zinc/47/06/58/219470658.db2.gz PNRZORKMMLMQIC-BZUAXINKSA-N 2 1 290.451 3.176 20 0 CGADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271891550 191392935 /nfs/dbraw/zinc/39/29/35/191392935.db2.gz SARVJMYPBSTUSC-WMLDXEAASA-N 2 1 270.420 3.395 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000271867210 191378535 /nfs/dbraw/zinc/37/85/35/191378535.db2.gz WPXRMDURVAEVSA-UHFFFAOYSA-N 2 1 299.443 3.162 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000513696907 283142909 /nfs/dbraw/zinc/14/29/09/283142909.db2.gz GLFHQWIJSCTJPJ-QXKUPLGCSA-N 2 1 250.430 3.028 20 0 CGADMP c1nc(-c2ccccc2)sc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825301 235474800 /nfs/dbraw/zinc/47/48/00/235474800.db2.gz HCECHUZHLAYPBB-YIONKMFJSA-N 2 1 299.443 3.183 20 0 CGADMP c1ccc(OC2CCCC2)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414838705 235479460 /nfs/dbraw/zinc/47/94/60/235479460.db2.gz XFDKHZDRCVCXEL-HNNXBMFYSA-N 2 1 288.435 3.097 20 0 CGADMP CCSCC[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000273772125 192301805 /nfs/dbraw/zinc/30/18/05/192301805.db2.gz RFIUQPWQVSQQDM-UHFFFAOYSA-N 2 1 292.492 3.302 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000353478685 283187032 /nfs/dbraw/zinc/18/70/32/283187032.db2.gz FUNGSFCNHMDXBT-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000353478685 283187035 /nfs/dbraw/zinc/18/70/35/283187035.db2.gz FUNGSFCNHMDXBT-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093491574 138345969 /nfs/dbraw/zinc/34/59/69/138345969.db2.gz MESJPUDYDLQLHB-HYVNUMGLSA-N 2 1 294.389 3.365 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000336321715 213165446 /nfs/dbraw/zinc/16/54/46/213165446.db2.gz YCYANIGLMYHBCJ-MRXNPFEDSA-N 2 1 280.362 3.200 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000123672199 138369284 /nfs/dbraw/zinc/36/92/84/138369284.db2.gz NGULGRVINLGUNO-NHYWBVRUSA-N 2 1 270.367 3.331 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000123672199 138369285 /nfs/dbraw/zinc/36/92/85/138369285.db2.gz NGULGRVINLGUNO-NHYWBVRUSA-N 2 1 270.367 3.331 20 0 CGADMP C[C@@H](CNc1ccnc(C2CC2)n1)[N@@H+](C)Cc1ccccc1 ZINC000110594757 138363316 /nfs/dbraw/zinc/36/33/16/138363316.db2.gz YVOBWWPORDUCCL-AWEZNQCLSA-N 2 1 296.418 3.286 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCCn2ccnc2C)C1 ZINC000125299243 138381421 /nfs/dbraw/zinc/38/14/21/138381421.db2.gz AXEMZAYEJZKDFI-LSDHHAIUSA-N 2 1 281.469 3.188 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000125299243 138381423 /nfs/dbraw/zinc/38/14/23/138381423.db2.gz AXEMZAYEJZKDFI-LSDHHAIUSA-N 2 1 281.469 3.188 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000125299243 138381424 /nfs/dbraw/zinc/38/14/24/138381424.db2.gz AXEMZAYEJZKDFI-LSDHHAIUSA-N 2 1 281.469 3.188 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000125615834 138383739 /nfs/dbraw/zinc/38/37/39/138383739.db2.gz RZOZITTXNVPYPX-MRXNPFEDSA-N 2 1 297.446 3.340 20 0 CGADMP CCC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000470004572 283269572 /nfs/dbraw/zinc/26/95/72/283269572.db2.gz ZLMRAWVAQFQXIN-OAHLLOKOSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423379874 236056013 /nfs/dbraw/zinc/05/60/13/236056013.db2.gz YBROMZTWIUXLEA-UWVGGRQHSA-N 2 1 292.370 3.339 20 0 CGADMP Cc1cc(F)c(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000424154369 236125366 /nfs/dbraw/zinc/12/53/66/236125366.db2.gz LQGWPLXWPMNLLM-AWEZNQCLSA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCCc1cccc(F)c1)CC[NH2+]CC2 ZINC000424285931 236142361 /nfs/dbraw/zinc/14/23/61/236142361.db2.gz GIPRFGYJBNBODZ-HNNXBMFYSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1ccc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)o2)cc1 ZINC000425959194 236275802 /nfs/dbraw/zinc/27/58/02/236275802.db2.gz REQSDSNPEORSHV-CALCHBBNSA-N 2 1 296.414 3.248 20 0 CGADMP Cc1ccc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)o2)cc1 ZINC000425959194 236275803 /nfs/dbraw/zinc/27/58/03/236275803.db2.gz REQSDSNPEORSHV-CALCHBBNSA-N 2 1 296.414 3.248 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)o2)cc1 ZINC000425959194 236275804 /nfs/dbraw/zinc/27/58/04/236275804.db2.gz REQSDSNPEORSHV-CALCHBBNSA-N 2 1 296.414 3.248 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)o2)cc1 ZINC000425959194 236275805 /nfs/dbraw/zinc/27/58/05/236275805.db2.gz REQSDSNPEORSHV-CALCHBBNSA-N 2 1 296.414 3.248 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427128025 236323039 /nfs/dbraw/zinc/32/30/39/236323039.db2.gz JCEUCQKRUFVDGI-CZUORRHYSA-N 2 1 284.403 3.179 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000336225332 213053088 /nfs/dbraw/zinc/05/30/88/213053088.db2.gz QUZOIVOWOHMHGR-VXGBXAGGSA-N 2 1 289.810 3.057 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000294795659 199187294 /nfs/dbraw/zinc/18/72/94/199187294.db2.gz MKOMUHSGPUEDPY-SJLPKXTDSA-N 2 1 272.436 3.254 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000294795657 199187455 /nfs/dbraw/zinc/18/74/55/199187455.db2.gz MKOMUHSGPUEDPY-FUHWJXTLSA-N 2 1 272.436 3.254 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000414853152 283455060 /nfs/dbraw/zinc/45/50/60/283455060.db2.gz RYOCMXWILUXFGW-QZTJIDSGSA-N 2 1 272.436 3.041 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(Cl)c1F ZINC000177577469 189057807 /nfs/dbraw/zinc/05/78/07/189057807.db2.gz RILFBKNCLGEGQR-NSHDSACASA-N 2 1 295.789 3.410 20 0 CGADMP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000177887752 189076441 /nfs/dbraw/zinc/07/64/41/189076441.db2.gz WSTREONORZGMRT-ULQDDVLXSA-N 2 1 290.451 3.001 20 0 CGADMP Cc1ccc(SCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000178380403 189112091 /nfs/dbraw/zinc/11/20/91/189112091.db2.gz PZTXMZXJIWLLOJ-UXLLHSPISA-N 2 1 292.492 3.405 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178638013 189133144 /nfs/dbraw/zinc/13/31/44/189133144.db2.gz KXKWLHDPUULFTN-SUYBPPKGSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178638013 189133145 /nfs/dbraw/zinc/13/31/45/189133145.db2.gz KXKWLHDPUULFTN-SUYBPPKGSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178638013 189133146 /nfs/dbraw/zinc/13/31/46/189133146.db2.gz KXKWLHDPUULFTN-SUYBPPKGSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178638013 189133147 /nfs/dbraw/zinc/13/31/47/189133147.db2.gz KXKWLHDPUULFTN-SUYBPPKGSA-N 2 1 294.389 3.442 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000178699563 189138210 /nfs/dbraw/zinc/13/82/10/189138210.db2.gz PKGQADNFTSVXSR-GLJUWKHASA-N 2 1 283.419 3.351 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000178705352 189139058 /nfs/dbraw/zinc/13/90/58/189139058.db2.gz QGBUUWASKDSIIZ-CHWSQXEVSA-N 2 1 275.371 3.318 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178972051 189158652 /nfs/dbraw/zinc/15/86/52/189158652.db2.gz UNCIVHZFQZFJLK-SFHVURJKSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)nc1 ZINC000179136560 189172409 /nfs/dbraw/zinc/17/24/09/189172409.db2.gz PPJYTVGPJOPDJX-UBHSHLNASA-N 2 1 281.831 3.258 20 0 CGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000180460681 189256435 /nfs/dbraw/zinc/25/64/35/189256435.db2.gz BMPPMKCLXICGSG-ZBFHGGJFSA-N 2 1 290.451 3.045 20 0 CGADMP Cc1nc(NCCC[NH+](C(C)C)C(C)C)c(C)c(C)[nH+]1 ZINC000301709741 201153379 /nfs/dbraw/zinc/15/33/79/201153379.db2.gz XEGZRXQYPGTGAK-UHFFFAOYSA-N 2 1 278.444 3.323 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC000449107814 239184735 /nfs/dbraw/zinc/18/47/35/239184735.db2.gz OCGCTLJEJCGFAW-JKSUJKDBSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1cccc(CC[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000449326810 239315254 /nfs/dbraw/zinc/31/52/54/239315254.db2.gz ZGYHVVGWSMBXDL-LJQANCHMSA-N 2 1 286.463 3.201 20 0 CGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CF)CC1 ZINC000449332119 239320870 /nfs/dbraw/zinc/32/08/70/239320870.db2.gz QDQZRFXZQKMBBS-LSDHHAIUSA-N 2 1 278.415 3.030 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000120511403 370775346 /nfs/dbraw/zinc/77/53/46/370775346.db2.gz FLPFIKSVYYIZOP-KEYYUXOJSA-N 2 1 283.419 3.053 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335633561 212348291 /nfs/dbraw/zinc/34/82/91/212348291.db2.gz JUBNKHHPOVGRPO-SJORKVTESA-N 2 1 295.430 3.056 20 0 CGADMP C[N@@H+](CC12CCC(CC1)C2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450979422 240179118 /nfs/dbraw/zinc/17/91/18/240179118.db2.gz AOTRLAUXZIALAG-HXGYVLDSSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+](CC12CCC(CC1)C2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450979422 240179125 /nfs/dbraw/zinc/17/91/25/240179125.db2.gz AOTRLAUXZIALAG-HXGYVLDSSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+](CC12CCC(CC1)C2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450979422 240179133 /nfs/dbraw/zinc/17/91/33/240179133.db2.gz AOTRLAUXZIALAG-HXGYVLDSSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CC/C=C\c3ccccc3)C2)C1 ZINC000451064914 240209964 /nfs/dbraw/zinc/20/99/64/240209964.db2.gz TWMKZFXBFLEBES-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CC/C=C\c3ccccc3)C2)C1 ZINC000451064914 240209968 /nfs/dbraw/zinc/20/99/68/240209968.db2.gz TWMKZFXBFLEBES-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451296313 240269668 /nfs/dbraw/zinc/26/96/68/240269668.db2.gz MJDROYDGWBBKPQ-STQMWFEESA-N 2 1 289.345 3.292 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451977452 240390320 /nfs/dbraw/zinc/39/03/20/240390320.db2.gz NLFZLGDEJREBKT-INIZCTEOSA-N 2 1 293.480 3.191 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451977452 240390325 /nfs/dbraw/zinc/39/03/25/240390325.db2.gz NLFZLGDEJREBKT-INIZCTEOSA-N 2 1 293.480 3.191 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000275648144 193095831 /nfs/dbraw/zinc/09/58/31/193095831.db2.gz CHSPEHIIEFURMG-HFTRVMKXSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000275648144 193095833 /nfs/dbraw/zinc/09/58/33/193095833.db2.gz CHSPEHIIEFURMG-HFTRVMKXSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000275648144 193095835 /nfs/dbraw/zinc/09/58/35/193095835.db2.gz CHSPEHIIEFURMG-HFTRVMKXSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000275674679 193101166 /nfs/dbraw/zinc/10/11/66/193101166.db2.gz VVMBZMQSRKWZED-CHWSQXEVSA-N 2 1 289.810 3.450 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cnc2ccsc2c1 ZINC000333560755 299370807 /nfs/dbraw/zinc/37/08/07/299370807.db2.gz KXPSVIKZDXOZIT-CYZMBNFOSA-N 2 1 275.421 3.217 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCc1cncn1C ZINC000459434712 242106984 /nfs/dbraw/zinc/10/69/84/242106984.db2.gz NXCNTNKGSWSPFJ-DOTOQJQBSA-N 2 1 283.419 3.231 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000459721830 242191213 /nfs/dbraw/zinc/19/12/13/242191213.db2.gz BCEQEVGNQOJWBO-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000459733193 242196744 /nfs/dbraw/zinc/19/67/44/242196744.db2.gz NFHMTGZGLNYLLM-WPTTZPOMSA-N 2 1 276.399 3.160 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3occc3c2)C1 ZINC000459729672 242197543 /nfs/dbraw/zinc/19/75/43/242197543.db2.gz DGRJIQFLHJPWEZ-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459733169 242197602 /nfs/dbraw/zinc/19/76/02/242197602.db2.gz GLBYMQBAHKJUAY-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479120702 243094819 /nfs/dbraw/zinc/09/48/19/243094819.db2.gz UCGXLPMAMUNPCS-WBMJQRKESA-N 2 1 278.827 3.259 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000479379708 243100463 /nfs/dbraw/zinc/10/04/63/243100463.db2.gz HNNYJNRZSFZWHA-WBVHZDCISA-N 2 1 281.403 3.059 20 0 CGADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc(OC(C)C)c2)C1 ZINC000480631443 243158091 /nfs/dbraw/zinc/15/80/91/243158091.db2.gz QSRCJPHZLRSZSU-RLFYNMQTSA-N 2 1 290.451 3.465 20 0 CGADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc(OC(C)C)c2)C1 ZINC000480631443 243158097 /nfs/dbraw/zinc/15/80/97/243158097.db2.gz QSRCJPHZLRSZSU-RLFYNMQTSA-N 2 1 290.451 3.465 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000484136731 243307357 /nfs/dbraw/zinc/30/73/57/243307357.db2.gz LZFGAPQZXQKWAJ-BFYDXBDKSA-N 2 1 260.425 3.028 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000123673645 370915196 /nfs/dbraw/zinc/91/51/96/370915196.db2.gz YGNKVUSLIJUSBS-WFASDCNBSA-N 2 1 252.377 3.192 20 0 CGADMP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000019912887 368781343 /nfs/dbraw/zinc/78/13/43/368781343.db2.gz HCORWMKQMUMTIZ-INIZCTEOSA-N 2 1 260.425 3.349 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000019959383 368791275 /nfs/dbraw/zinc/79/12/75/368791275.db2.gz OZBTZSVYJWBBJM-LLVKDONJSA-N 2 1 290.329 3.188 20 0 CGADMP CC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020088945 368799189 /nfs/dbraw/zinc/79/91/89/368799189.db2.gz VCCDDHWOYCOAGE-HNNXBMFYSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000036908279 369036557 /nfs/dbraw/zinc/03/65/57/369036557.db2.gz WJFVNCMVOPUZRL-LALPHHSUSA-N 2 1 298.377 3.106 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000035015186 368989546 /nfs/dbraw/zinc/98/95/46/368989546.db2.gz XTBQGVDHHALZGC-CQSZACIVSA-N 2 1 276.424 3.139 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]C1CC[NH+](C)CC1 ZINC000035017879 368991010 /nfs/dbraw/zinc/99/10/10/368991010.db2.gz VEOZNNARJODKFM-UHFFFAOYSA-N 2 1 272.392 3.179 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000037644092 369092870 /nfs/dbraw/zinc/09/28/70/369092870.db2.gz SPXDLOAFZLMJSD-NVXWUHKLSA-N 2 1 260.425 3.378 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000037644557 369094559 /nfs/dbraw/zinc/09/45/59/369094559.db2.gz RYDSDRVXVXNYLW-NWDGAFQWSA-N 2 1 284.806 3.472 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000037644557 369094564 /nfs/dbraw/zinc/09/45/64/369094564.db2.gz RYDSDRVXVXNYLW-NWDGAFQWSA-N 2 1 284.806 3.472 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649442 369096803 /nfs/dbraw/zinc/09/68/03/369096803.db2.gz ICBBUUQHUYBJLY-QAPCUYQASA-N 2 1 272.436 3.458 20 0 CGADMP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649457 369097560 /nfs/dbraw/zinc/09/75/60/369097560.db2.gz HNBCBJLQKUYZEC-ACJLOTCBSA-N 2 1 288.410 3.351 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000037977177 369129672 /nfs/dbraw/zinc/12/96/72/369129672.db2.gz HXZCKXBIARQZNK-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP COc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000037786374 369113020 /nfs/dbraw/zinc/11/30/20/369113020.db2.gz MXDOUBOEAXNZLW-UHFFFAOYSA-N 2 1 276.424 3.048 20 0 CGADMP CCCC[C@@H](C)[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000343541020 216816327 /nfs/dbraw/zinc/81/63/27/216816327.db2.gz WZGKFODWHFUJTM-KGLIPLIRSA-N 2 1 251.418 3.386 20 0 CGADMP CCCOc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000037996790 369136637 /nfs/dbraw/zinc/13/66/37/369136637.db2.gz UBJPNWCFUISCRQ-UHFFFAOYSA-N 2 1 290.451 3.441 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)o1 ZINC000038041617 369142263 /nfs/dbraw/zinc/14/22/63/369142263.db2.gz ILXHWEITZRZZDQ-DZGCQCFKSA-N 2 1 264.413 3.361 20 0 CGADMP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1(C)CC1 ZINC000040668677 369160247 /nfs/dbraw/zinc/16/02/47/369160247.db2.gz CPZWILSSLSGOFX-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]1C ZINC000495084775 244355683 /nfs/dbraw/zinc/35/56/83/244355683.db2.gz NCNGGHOKQNJONY-JFRXWTBNSA-N 2 1 286.463 3.185 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000048570614 369359396 /nfs/dbraw/zinc/35/93/96/369359396.db2.gz LAOXOFSQXGEERL-SJPCQFCGSA-N 2 1 258.409 3.018 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccsc2)CC1 ZINC000050339447 369436451 /nfs/dbraw/zinc/43/64/51/369436451.db2.gz CYCQUWRSTFUCRM-GFCCVEGCSA-N 2 1 252.427 3.272 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000219233287 376196404 /nfs/dbraw/zinc/19/64/04/376196404.db2.gz JMMSTRBHXAWQMY-IRXDYDNUSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000219233287 376196409 /nfs/dbraw/zinc/19/64/09/376196409.db2.gz JMMSTRBHXAWQMY-IRXDYDNUSA-N 2 1 258.409 3.020 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000219150296 376197625 /nfs/dbraw/zinc/19/76/25/376197625.db2.gz KKDHJZVDPVSAFT-LBPRGKRZSA-N 2 1 270.367 3.346 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000219150296 376197633 /nfs/dbraw/zinc/19/76/33/376197633.db2.gz KKDHJZVDPVSAFT-LBPRGKRZSA-N 2 1 270.367 3.346 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000062019023 369615345 /nfs/dbraw/zinc/61/53/45/369615345.db2.gz GJGNQEWZQCUOQT-ZDUSSCGKSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000062077720 369617351 /nfs/dbraw/zinc/61/73/51/369617351.db2.gz YTCAMJVBQNTABQ-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@@H]21 ZINC000219304195 376198838 /nfs/dbraw/zinc/19/88/38/376198838.db2.gz ZYMLZPMCRMKORN-RIEGTJTDSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@@H]21 ZINC000219304195 376198843 /nfs/dbraw/zinc/19/88/43/376198843.db2.gz ZYMLZPMCRMKORN-RIEGTJTDSA-N 2 1 282.790 3.038 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070169422 369786213 /nfs/dbraw/zinc/78/62/13/369786213.db2.gz ATWKHHBYAHGQAQ-HNNXBMFYSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173846 369786965 /nfs/dbraw/zinc/78/69/65/369786965.db2.gz QGCBBELWFPJINO-IAGOWNOFSA-N 2 1 290.451 3.132 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000078695498 369953271 /nfs/dbraw/zinc/95/32/71/369953271.db2.gz ZHDLLUKENRYVTO-AWEZNQCLSA-N 2 1 285.366 3.048 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000076001182 369925127 /nfs/dbraw/zinc/92/51/27/369925127.db2.gz RMIAIFISADPNNB-MRXNPFEDSA-N 2 1 260.425 3.159 20 0 CGADMP Cc1ncsc1[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163712 370030674 /nfs/dbraw/zinc/03/06/74/370030674.db2.gz DSMGTJZDVOFLJO-FUDCBSFHSA-N 2 1 279.453 3.117 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079977509 369981181 /nfs/dbraw/zinc/98/11/81/369981181.db2.gz RCNQTLPTEYCNDX-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP CCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000090721344 370066951 /nfs/dbraw/zinc/06/69/51/370066951.db2.gz GSLXWBCKZXXIJC-GDBMZVCRSA-N 2 1 276.424 3.048 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2csc3ccccc23)CC[N@H+]1C ZINC000090721149 370067344 /nfs/dbraw/zinc/06/73/44/370067344.db2.gz QFRBMBZTQITXHO-OCCSQVGLSA-N 2 1 274.433 3.474 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000090972685 370071689 /nfs/dbraw/zinc/07/16/89/370071689.db2.gz ICQMBGSSRMWXLY-IIDMSEBBSA-N 2 1 286.463 3.110 20 0 CGADMP c1csc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066370 370092884 /nfs/dbraw/zinc/09/28/84/370092884.db2.gz KTNVLZNTQDJPDX-CZUORRHYSA-N 2 1 276.449 3.197 20 0 CGADMP c1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066370 370092888 /nfs/dbraw/zinc/09/28/88/370092888.db2.gz KTNVLZNTQDJPDX-CZUORRHYSA-N 2 1 276.449 3.197 20 0 CGADMP c1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066370 370092891 /nfs/dbraw/zinc/09/28/91/370092891.db2.gz KTNVLZNTQDJPDX-CZUORRHYSA-N 2 1 276.449 3.197 20 0 CGADMP C[C@@H](C[NH2+]Cc1cc(Cl)cs1)C[NH+]1CCCC1 ZINC000093095056 370109389 /nfs/dbraw/zinc/10/93/89/370109389.db2.gz KXISFTAFFQYMOX-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC000093770361 370157474 /nfs/dbraw/zinc/15/74/74/370157474.db2.gz MLJKJRRTZHBGOI-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000093770361 370157475 /nfs/dbraw/zinc/15/74/75/370157475.db2.gz MLJKJRRTZHBGOI-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000093770361 370157477 /nfs/dbraw/zinc/15/74/77/370157477.db2.gz MLJKJRRTZHBGOI-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000513682989 245088887 /nfs/dbraw/zinc/08/88/87/245088887.db2.gz DTHSHQOGQNGBNW-JYJNAYRXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000129578474 370992957 /nfs/dbraw/zinc/99/29/57/370992957.db2.gz OPGYLELBNDOWBX-XUJVJEKNSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000129578474 370992966 /nfs/dbraw/zinc/99/29/66/370992966.db2.gz OPGYLELBNDOWBX-XUJVJEKNSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841949 370628620 /nfs/dbraw/zinc/62/86/20/370628620.db2.gz XAGSUFTYHBXNAD-CHWSQXEVSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841949 370628627 /nfs/dbraw/zinc/62/86/27/370628627.db2.gz XAGSUFTYHBXNAD-CHWSQXEVSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841949 370628633 /nfs/dbraw/zinc/62/86/33/370628633.db2.gz XAGSUFTYHBXNAD-CHWSQXEVSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841949 370628641 /nfs/dbraw/zinc/62/86/41/370628641.db2.gz XAGSUFTYHBXNAD-CHWSQXEVSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000130200332 371017047 /nfs/dbraw/zinc/01/70/47/371017047.db2.gz CDJVXZPVANQRIP-YNEHKIRRSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000131865267 371134667 /nfs/dbraw/zinc/13/46/67/371134667.db2.gz UJTWDDWHBVBEFG-DQYPLSBCSA-N 2 1 252.361 3.482 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2occc2c1 ZINC000286532045 371515293 /nfs/dbraw/zinc/51/52/93/371515293.db2.gz NSJNJRLUASMOCD-CYBMUJFWSA-N 2 1 283.375 3.364 20 0 CGADMP Fc1ccccc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000137611318 371499240 /nfs/dbraw/zinc/49/92/40/371499240.db2.gz NLTHGNVXKKWSEC-INIZCTEOSA-N 2 1 290.426 3.176 20 0 CGADMP Fc1ccccc1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000137611318 371499246 /nfs/dbraw/zinc/49/92/46/371499246.db2.gz NLTHGNVXKKWSEC-INIZCTEOSA-N 2 1 290.426 3.176 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000151095825 371568171 /nfs/dbraw/zinc/56/81/71/371568171.db2.gz TVXAJWGMZMJTMX-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000151125015 371572272 /nfs/dbraw/zinc/57/22/72/371572272.db2.gz LCVNZXIIFDCULG-DOTOQJQBSA-N 2 1 288.435 3.222 20 0 CGADMP COC1([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)CCCCC1 ZINC000421819186 371643115 /nfs/dbraw/zinc/64/31/15/371643115.db2.gz FQCHGWIZUZAPHM-OAHLLOKOSA-N 2 1 270.461 3.044 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(C)c1 ZINC000287484712 371662770 /nfs/dbraw/zinc/66/27/70/371662770.db2.gz MZSBHJDNAYYPNK-WBVHZDCISA-N 2 1 283.419 3.495 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000152411411 371694535 /nfs/dbraw/zinc/69/45/35/371694535.db2.gz VCMPATARBFSVHZ-CZUORRHYSA-N 2 1 288.435 3.367 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000152477863 371698320 /nfs/dbraw/zinc/69/83/20/371698320.db2.gz LMEIMZUVGJJDRC-WMLDXEAASA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422561238 371749551 /nfs/dbraw/zinc/74/95/51/371749551.db2.gz KAFHUGHSIWQOBA-MRXNPFEDSA-N 2 1 272.436 3.083 20 0 CGADMP CC(C)(C)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422562957 371752467 /nfs/dbraw/zinc/75/24/67/371752467.db2.gz RHEJMRAIPHZPSL-UHFFFAOYSA-N 2 1 272.436 3.312 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C\c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422562654 371752944 /nfs/dbraw/zinc/75/29/44/371752944.db2.gz QPCXBTPGFWRGPP-IITQBNNDSA-N 2 1 276.399 3.144 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422764112 371792808 /nfs/dbraw/zinc/79/28/08/371792808.db2.gz JWBNLWBFNZTDLY-DLBZAZTESA-N 2 1 288.435 3.225 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](CC)Oc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422821295 371829270 /nfs/dbraw/zinc/82/92/70/371829270.db2.gz VIWUCWSVMLKBMX-IMJJTQAJSA-N 2 1 294.414 3.103 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1 ZINC000289828349 371834100 /nfs/dbraw/zinc/83/41/00/371834100.db2.gz UERUPXZBPJNYQB-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000289828349 371834105 /nfs/dbraw/zinc/83/41/05/371834105.db2.gz UERUPXZBPJNYQB-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000289828349 371834109 /nfs/dbraw/zinc/83/41/09/371834109.db2.gz UERUPXZBPJNYQB-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP CC[C@H]([NH2+]CCc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422785057 371806915 /nfs/dbraw/zinc/80/69/15/371806915.db2.gz QPYIQCFXUQHUBN-GJZGRUSLSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)[C@H]1CCCC[NH2+]1 ZINC000422798442 371815290 /nfs/dbraw/zinc/81/52/90/371815290.db2.gz RBYABKQZUCEGOA-XHBSWPGZSA-N 2 1 282.378 3.189 20 0 CGADMP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422798440 371816193 /nfs/dbraw/zinc/81/61/93/371816193.db2.gz RBYABKQZUCEGOA-OZVIIMIRSA-N 2 1 282.378 3.189 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1(C)C ZINC000422816671 371826874 /nfs/dbraw/zinc/82/68/74/371826874.db2.gz FRCHEKCAPWTRLD-DAXOMENPSA-N 2 1 291.439 3.129 20 0 CGADMP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000422925423 371873697 /nfs/dbraw/zinc/87/36/97/371873697.db2.gz VCXZYYAWEKNRRQ-RBUKOAKNSA-N 2 1 296.414 3.332 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932729 371877876 /nfs/dbraw/zinc/87/78/76/371877876.db2.gz GNWPGLCHIQTLIH-QZTJIDSGSA-N 2 1 296.414 3.202 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422855013 371840080 /nfs/dbraw/zinc/84/00/80/371840080.db2.gz BSRDMJRETWIHKE-OALUTQOASA-N 2 1 296.414 3.498 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC(C)(C)C ZINC000423057328 371937493 /nfs/dbraw/zinc/93/74/93/371937493.db2.gz HBGZHQLETMPOOZ-QBPKDAKJSA-N 2 1 296.499 3.196 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000290055994 371891442 /nfs/dbraw/zinc/89/14/42/371891442.db2.gz PBPXMIKXKOCHPK-MRXNPFEDSA-N 2 1 290.451 3.173 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000290055994 371891447 /nfs/dbraw/zinc/89/14/47/371891447.db2.gz PBPXMIKXKOCHPK-MRXNPFEDSA-N 2 1 290.451 3.173 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000290055994 371891454 /nfs/dbraw/zinc/89/14/54/371891454.db2.gz PBPXMIKXKOCHPK-MRXNPFEDSA-N 2 1 290.451 3.173 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000290055994 371891458 /nfs/dbraw/zinc/89/14/58/371891458.db2.gz PBPXMIKXKOCHPK-MRXNPFEDSA-N 2 1 290.451 3.173 20 0 CGADMP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423006011 371913024 /nfs/dbraw/zinc/91/30/24/371913024.db2.gz UBNGRMRHEGQDFN-IUODEOHRSA-N 2 1 296.842 3.216 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000423011459 371914781 /nfs/dbraw/zinc/91/47/81/371914781.db2.gz ZRMRLJLTEQONEU-KURKYZTESA-N 3 1 295.515 3.006 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000423019509 371918878 /nfs/dbraw/zinc/91/88/78/371918878.db2.gz WARYUQPPKAJSQW-HRCADAONSA-N 2 1 293.842 3.135 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000344096903 217046407 /nfs/dbraw/zinc/04/64/07/217046407.db2.gz UYEVNKLAXRWMJC-AEFFLSMTSA-N 2 1 297.446 3.304 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCNc2cccc(F)c2)c2ccccc21 ZINC000423031953 371924261 /nfs/dbraw/zinc/92/42/61/371924261.db2.gz LUUQJSNVQMOMNK-MSOLQXFVSA-N 2 1 299.393 3.362 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2cc(C3CC3)ccn2)[C@H](C)C1 ZINC000290184611 371926921 /nfs/dbraw/zinc/92/69/21/371926921.db2.gz NUZUVVDFBZTEGI-DOMZBBRYSA-N 2 1 259.397 3.101 20 0 CGADMP CC[N@@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H](C)C1 ZINC000290184611 371926928 /nfs/dbraw/zinc/92/69/28/371926928.db2.gz NUZUVVDFBZTEGI-DOMZBBRYSA-N 2 1 259.397 3.101 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H](C)C1 ZINC000290184611 371926936 /nfs/dbraw/zinc/92/69/36/371926936.db2.gz NUZUVVDFBZTEGI-DOMZBBRYSA-N 2 1 259.397 3.101 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423046843 371930978 /nfs/dbraw/zinc/93/09/78/371930978.db2.gz FFUKNCVGDYRAKR-SQWLQELKSA-N 2 1 278.465 3.206 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423093604 371958160 /nfs/dbraw/zinc/95/81/60/371958160.db2.gz IEBVOTACVZZPSQ-WVZRYYJFSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423094514 371960871 /nfs/dbraw/zinc/96/08/71/371960871.db2.gz KGOYYXQTNASZDS-ZPUIDXCVSA-N 2 1 294.389 3.331 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423098814 371963899 /nfs/dbraw/zinc/96/38/99/371963899.db2.gz LODZUQACUGUYGY-OVWQWFNUSA-N 2 1 272.436 3.361 20 0 CGADMP Fc1ccc(C2CC2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423148509 371992238 /nfs/dbraw/zinc/99/22/38/371992238.db2.gz VOQXEIVSXMDDIX-XYPWUTKMSA-N 2 1 274.383 3.076 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423083919 371953904 /nfs/dbraw/zinc/95/39/04/371953904.db2.gz ZNHDZARXYRALMN-IRXDYDNUSA-N 2 1 258.409 3.184 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423086760 371954140 /nfs/dbraw/zinc/95/41/40/371954140.db2.gz NYSUEPLUIWZKGQ-RYUDHWBXSA-N 2 1 276.355 3.301 20 0 CGADMP COCCCC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423090643 371956725 /nfs/dbraw/zinc/95/67/25/371956725.db2.gz XYJUFRJNLCLWLQ-SZMVWBNQSA-N 2 1 290.451 3.275 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423205406 372028983 /nfs/dbraw/zinc/02/89/83/372028983.db2.gz VLNAAZMPEMRPQI-JTQLQIEISA-N 2 1 295.477 3.440 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)CC2)CC[N@@H+]1C ZINC000157768354 372035708 /nfs/dbraw/zinc/03/57/08/372035708.db2.gz AXAKQNKXQROTFL-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)CC2)CC[N@H+]1C ZINC000157768354 372035714 /nfs/dbraw/zinc/03/57/14/372035714.db2.gz AXAKQNKXQROTFL-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221424 372039884 /nfs/dbraw/zinc/03/98/84/372039884.db2.gz ZUTAOWILHMKRTO-OLZOCXBDSA-N 2 1 296.842 3.389 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000157894448 372042353 /nfs/dbraw/zinc/04/23/53/372042353.db2.gz LQFVHNARJFCPJW-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccccc21)C1CCCCC1 ZINC000423269600 372046104 /nfs/dbraw/zinc/04/61/04/372046104.db2.gz VXBHQOFVZYCTRV-SJORKVTESA-N 2 1 258.409 3.171 20 0 CGADMP CC1(C)[C@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@@H]2CCCO[C@@H]21 ZINC000423280492 372047711 /nfs/dbraw/zinc/04/77/11/372047711.db2.gz STGJWEDIZCVOIB-BBWFWOEESA-N 2 1 294.483 3.092 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423280458 372048804 /nfs/dbraw/zinc/04/88/04/372048804.db2.gz SPSLYENHZHABQY-CABCVRRESA-N 2 1 264.800 3.044 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423303541 372049992 /nfs/dbraw/zinc/04/99/92/372049992.db2.gz XFRHGZRGIUAGJR-GDBMZVCRSA-N 2 1 278.465 3.124 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423374428 372055202 /nfs/dbraw/zinc/05/52/02/372055202.db2.gz SVOMOGHQEFQIID-ABYLEIOUSA-N 2 1 294.389 3.189 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000158143973 372055758 /nfs/dbraw/zinc/05/57/58/372055758.db2.gz PMZLOTUEDWTRFJ-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)CCCO2 ZINC000423382295 372058304 /nfs/dbraw/zinc/05/83/04/372058304.db2.gz OVCOJJRIGYHOKS-HLLBOEOZSA-N 2 1 288.435 3.247 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000423180783 372009658 /nfs/dbraw/zinc/00/96/58/372009658.db2.gz OBNIHXQYBJWJGZ-NSHDSACASA-N 2 1 281.469 3.326 20 0 CGADMP FCCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183360 372010131 /nfs/dbraw/zinc/01/01/31/372010131.db2.gz GLQGKWHBCDIIGM-SJORKVTESA-N 2 1 293.430 3.069 20 0 CGADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)ccc1F ZINC000423186190 372013337 /nfs/dbraw/zinc/01/33/37/372013337.db2.gz WPFJICKFINEUKH-LBPRGKRZSA-N 2 1 280.387 3.147 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1(c2ccccc2)CCCC1 ZINC000423184353 372013522 /nfs/dbraw/zinc/01/35/22/372013522.db2.gz IKTYLDZGRLHRGX-RDJZCZTQSA-N 2 1 272.436 3.229 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000158701287 372082071 /nfs/dbraw/zinc/08/20/71/372082071.db2.gz RREPXTCVWVGEQX-CVEARBPZSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000291217957 372139244 /nfs/dbraw/zinc/13/92/44/372139244.db2.gz NFSNAKNKUUCQGN-ACJLOTCBSA-N 2 1 299.418 3.200 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccn1 ZINC000159312491 372130038 /nfs/dbraw/zinc/13/00/38/372130038.db2.gz YQCGIJYPGRKMEP-VYDXJSESSA-N 2 1 275.440 3.385 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000159312593 372130953 /nfs/dbraw/zinc/13/09/53/372130953.db2.gz ZHWNFJCGYBPBLG-KRWDZBQOSA-N 2 1 290.476 3.091 20 0 CGADMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000344303298 217141444 /nfs/dbraw/zinc/14/14/44/217141444.db2.gz SWSUJHVRTJYKGR-QGZVFWFLSA-N 2 1 258.409 3.379 20 0 CGADMP COC1(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)CCC1 ZINC000429349929 372354688 /nfs/dbraw/zinc/35/46/88/372354688.db2.gz AWXVLJQQTXJZPK-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000430962513 372411861 /nfs/dbraw/zinc/41/18/61/372411861.db2.gz HGCJTPUJVKBGIK-UHFFFAOYSA-N 2 1 293.480 3.232 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1F ZINC000163471006 372473014 /nfs/dbraw/zinc/47/30/14/372473014.db2.gz MKUPTPMFWXPOSK-CJNGLKHVSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)C[NH+](C)C ZINC000293765496 372475322 /nfs/dbraw/zinc/47/53/22/372475322.db2.gz SINMFWQMZJHRQS-UWVGGRQHSA-N 2 1 260.834 3.250 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000163403389 372467177 /nfs/dbraw/zinc/46/71/77/372467177.db2.gz FRONOTVNQJIGKO-RISCZKNCSA-N 2 1 268.351 3.041 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(C)CC1 ZINC000165332057 372549605 /nfs/dbraw/zinc/54/96/05/372549605.db2.gz HIRVBHRJUBQQEQ-WMZOPIPTSA-N 2 1 286.463 3.329 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000166062489 372563888 /nfs/dbraw/zinc/56/38/88/372563888.db2.gz QMALFXQGOPRZSG-BFYDXBDKSA-N 2 1 290.451 3.261 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000166901994 372585579 /nfs/dbraw/zinc/58/55/79/372585579.db2.gz JRNBFGHVQAATQK-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCC2)[C@H](C)C1 ZINC000168464969 372611368 /nfs/dbraw/zinc/61/13/68/372611368.db2.gz LIPDEIPEYLTSKD-RYRKJORJSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435374766 372753471 /nfs/dbraw/zinc/75/34/71/372753471.db2.gz YEIVDQZTKGTSJX-HIFRSBDPSA-N 2 1 270.376 3.116 20 0 CGADMP CC[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC000435396316 372760943 /nfs/dbraw/zinc/76/09/43/372760943.db2.gz XXNYSTHMYUMRGR-OAHLLOKOSA-N 2 1 272.392 3.397 20 0 CGADMP CC[N@@H+](CCCc1cccc(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435630143 372787126 /nfs/dbraw/zinc/78/71/26/372787126.db2.gz ZTSHIWHHXWNSSL-QGZVFWFLSA-N 2 1 290.451 3.092 20 0 CGADMP C[NH2+]CCC[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000435877075 372823457 /nfs/dbraw/zinc/82/34/57/372823457.db2.gz NDFRIOXNQRHPQH-HNNXBMFYSA-N 2 1 260.425 3.459 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000435881833 372823700 /nfs/dbraw/zinc/82/37/00/372823700.db2.gz WFHRMZMHNYQZFQ-UHFFFAOYSA-N 2 1 299.256 3.269 20 0 CGADMP C[NH2+]CCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000435883305 372823972 /nfs/dbraw/zinc/82/39/72/372823972.db2.gz YINKQXLVCXNEJW-LJQANCHMSA-N 2 1 280.415 3.244 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000296026188 372997977 /nfs/dbraw/zinc/99/79/77/372997977.db2.gz MWSIUCRWTTWBJA-MRXNPFEDSA-N 2 1 273.355 3.196 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000172841778 373045817 /nfs/dbraw/zinc/04/58/17/373045817.db2.gz MDYDOEJYXUMHRK-WFASDCNBSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000172841778 373045826 /nfs/dbraw/zinc/04/58/26/373045826.db2.gz MDYDOEJYXUMHRK-WFASDCNBSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000172841778 373045833 /nfs/dbraw/zinc/04/58/33/373045833.db2.gz MDYDOEJYXUMHRK-WFASDCNBSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000172841778 373045840 /nfs/dbraw/zinc/04/58/40/373045840.db2.gz MDYDOEJYXUMHRK-WFASDCNBSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1cccc2ccccc21 ZINC000442780559 373077465 /nfs/dbraw/zinc/07/74/65/373077465.db2.gz NZRLJYCHADGVRR-HZPDHXFCSA-N 2 1 282.431 3.442 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000442917793 373127429 /nfs/dbraw/zinc/12/74/29/373127429.db2.gz BJIBJFBQUKFYIP-CYBMUJFWSA-N 2 1 293.480 3.362 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1Cl ZINC000442922801 373128529 /nfs/dbraw/zinc/12/85/29/373128529.db2.gz LAVNUOAMLPKDHM-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000443063079 373148212 /nfs/dbraw/zinc/14/82/12/373148212.db2.gz VPZYFSISTWATAT-QGZVFWFLSA-N 2 1 282.431 3.443 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919022 373215633 /nfs/dbraw/zinc/21/56/33/373215633.db2.gz BPGYMCLWCKIAMF-FUHWJXTLSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919022 373215638 /nfs/dbraw/zinc/21/56/38/373215638.db2.gz BPGYMCLWCKIAMF-FUHWJXTLSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919022 373215643 /nfs/dbraw/zinc/21/56/43/373215643.db2.gz BPGYMCLWCKIAMF-FUHWJXTLSA-N 2 1 274.452 3.281 20 0 CGADMP CCc1ccccc1CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000444589346 373203721 /nfs/dbraw/zinc/20/37/21/373203721.db2.gz ILZUDOGAWUGBHQ-UHFFFAOYSA-N 2 1 286.463 3.352 20 0 CGADMP C[C@H]1CCC[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000444570208 373203840 /nfs/dbraw/zinc/20/38/40/373203840.db2.gz HHMGTGPKPLFGKF-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000298513239 373344143 /nfs/dbraw/zinc/34/41/43/373344143.db2.gz RALFHIJIJPWVHO-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CC2(CCC2)C1)[NH+]1CCCC1 ZINC000448057497 373543854 /nfs/dbraw/zinc/54/38/54/373543854.db2.gz CPPKHQJOTUQPFS-OAHLLOKOSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000300404906 373625853 /nfs/dbraw/zinc/62/58/53/373625853.db2.gz HLDQCROQFNKZIR-HZPDHXFCSA-N 2 1 262.441 3.328 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000300404906 373625860 /nfs/dbraw/zinc/62/58/60/373625860.db2.gz HLDQCROQFNKZIR-HZPDHXFCSA-N 2 1 262.441 3.328 20 0 CGADMP COCC1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449084635 373661866 /nfs/dbraw/zinc/66/18/66/373661866.db2.gz YLZAWLLTANACSE-AOCRQIFASA-N 2 1 296.499 3.436 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C1CCCCC1 ZINC000177296077 373673335 /nfs/dbraw/zinc/67/33/35/373673335.db2.gz JIAPQGKXILFEOY-ZIAGYGMSSA-N 2 1 263.429 3.386 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000449466216 373749147 /nfs/dbraw/zinc/74/91/47/373749147.db2.gz GEFRSIPECKKOPQ-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000178702793 373806414 /nfs/dbraw/zinc/80/64/14/373806414.db2.gz TVMGLSGSOKFOEZ-GODZRQRCSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@H]1SCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000178974337 373822626 /nfs/dbraw/zinc/82/26/26/373822626.db2.gz BSMCORQUGSZHNB-RHSMWYFYSA-N 2 1 290.476 3.165 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)C1CCC1 ZINC000449487507 373777608 /nfs/dbraw/zinc/77/76/08/373777608.db2.gz YSPMVEWGCYNNFN-UHFFFAOYSA-N 2 1 261.413 3.064 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(c3ccnc4cc(F)ccc43)CC[C@H]21 ZINC000301721888 373800566 /nfs/dbraw/zinc/80/05/66/373800566.db2.gz QXFIDPNURJBTGS-CXAGYDPISA-N 2 1 299.393 3.294 20 0 CGADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(F)ccc43)CC[C@H]21 ZINC000301721888 373800574 /nfs/dbraw/zinc/80/05/74/373800574.db2.gz QXFIDPNURJBTGS-CXAGYDPISA-N 2 1 299.393 3.294 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(F)ccc43)CC[C@H]21 ZINC000301721888 373800579 /nfs/dbraw/zinc/80/05/79/373800579.db2.gz QXFIDPNURJBTGS-CXAGYDPISA-N 2 1 299.393 3.294 20 0 CGADMP Cc1cccc(CC[NH2+]C(C)(C)C[NH+]2CCCC2)c1 ZINC000449773117 373902233 /nfs/dbraw/zinc/90/22/33/373902233.db2.gz MLJYIPSHBZCNPI-UHFFFAOYSA-N 2 1 260.425 3.002 20 0 CGADMP CCc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000450252465 374023256 /nfs/dbraw/zinc/02/32/56/374023256.db2.gz IGPMYXMXTUACSC-JKSUJKDBSA-N 2 1 295.430 3.258 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2=CCCC2)CC[N@H+]1C ZINC000308752914 374177824 /nfs/dbraw/zinc/17/78/24/374177824.db2.gz DPSZTQKZEWAAPY-HIFRSBDPSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H]([NH2+]Cc1ccn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309748479 374195506 /nfs/dbraw/zinc/19/55/06/374195506.db2.gz YQISBGBCXQMUHD-LPHOPBHVSA-N 2 1 297.446 3.025 20 0 CGADMP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984145 374188764 /nfs/dbraw/zinc/18/87/64/374188764.db2.gz UKYIWVJGSNIIOV-RCCFBDPRSA-N 2 1 296.499 3.265 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076519524 541912298 /nfs/dbraw/zinc/91/22/98/541912298.db2.gz IYVPXSRWPYDOQP-HNNXBMFYSA-N 2 1 280.843 3.202 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000311879953 374259001 /nfs/dbraw/zinc/25/90/01/374259001.db2.gz MVUIWAPAKUOOJU-UONOGXRCSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000311879953 374259006 /nfs/dbraw/zinc/25/90/06/374259006.db2.gz MVUIWAPAKUOOJU-UONOGXRCSA-N 2 1 266.404 3.075 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1ccc(C)cc1 ZINC000182227652 374240580 /nfs/dbraw/zinc/24/05/80/374240580.db2.gz QLNQOKPGMPCRGH-UHFFFAOYSA-N 2 1 285.435 3.455 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1ccc(C)cc1 ZINC000182227652 374240587 /nfs/dbraw/zinc/24/05/87/374240587.db2.gz QLNQOKPGMPCRGH-UHFFFAOYSA-N 2 1 285.435 3.455 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000453124825 374367489 /nfs/dbraw/zinc/36/74/89/374367489.db2.gz UTHUUBRNMPWAAC-WQVCFCJDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCCC2)CC[N@H+]1C ZINC000453124825 374367493 /nfs/dbraw/zinc/36/74/93/374367493.db2.gz UTHUUBRNMPWAAC-WQVCFCJDSA-N 2 1 250.430 3.028 20 0 CGADMP COC1(C[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CCCCC1 ZINC000319697749 374347225 /nfs/dbraw/zinc/34/72/25/374347225.db2.gz ROWRWRLKWILPGE-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)[C@H](C)C1 ZINC000453330209 374423917 /nfs/dbraw/zinc/42/39/17/374423917.db2.gz AWLLDGZVGBXDQI-OWSLCNJRSA-N 2 1 296.499 3.005 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000086906245 541942235 /nfs/dbraw/zinc/94/22/35/541942235.db2.gz PIKFHIRGGIEGPU-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000090400480 541958948 /nfs/dbraw/zinc/95/89/48/541958948.db2.gz MRMZYQXXGDSNML-STQMWFEESA-N 2 1 281.469 3.367 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000090400480 541958952 /nfs/dbraw/zinc/95/89/52/541958952.db2.gz MRMZYQXXGDSNML-STQMWFEESA-N 2 1 281.469 3.367 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccnc1 ZINC000185346092 374643274 /nfs/dbraw/zinc/64/32/74/374643274.db2.gz AURNSJJISCMQLL-RHSMWYFYSA-N 2 1 286.423 3.354 20 0 CGADMP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721291 374723319 /nfs/dbraw/zinc/72/33/19/374723319.db2.gz ZUNBCQPKLRFWCX-GJZGRUSLSA-N 2 1 250.430 3.195 20 0 CGADMP CCCc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000187106364 374971651 /nfs/dbraw/zinc/97/16/51/374971651.db2.gz MOVPKGSNMYVOJD-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334711019 374994065 /nfs/dbraw/zinc/99/40/65/374994065.db2.gz YCPDHVYFRKHINM-GFCCVEGCSA-N 2 1 280.362 3.101 20 0 CGADMP CC[N@H+](CCc1cccs1)CC[C@@H]1CCCC[NH+]1C ZINC000472763211 375033606 /nfs/dbraw/zinc/03/36/06/375033606.db2.gz GDMUWJFFWDOKPK-HNNXBMFYSA-N 2 1 280.481 3.487 20 0 CGADMP CC[NH+](CCc1cccs1)CC[C@@H]1CCCC[N@@H+]1C ZINC000472763211 375033613 /nfs/dbraw/zinc/03/36/13/375033613.db2.gz GDMUWJFFWDOKPK-HNNXBMFYSA-N 2 1 280.481 3.487 20 0 CGADMP CC[NH+](CCc1cccs1)CC[C@@H]1CCCC[N@H+]1C ZINC000472763211 375033620 /nfs/dbraw/zinc/03/36/20/375033620.db2.gz GDMUWJFFWDOKPK-HNNXBMFYSA-N 2 1 280.481 3.487 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000474107482 375082404 /nfs/dbraw/zinc/08/24/04/375082404.db2.gz YAVCFTJVNILEOW-QAPCUYQASA-N 2 1 290.451 3.214 20 0 CGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000474477352 375114213 /nfs/dbraw/zinc/11/42/13/375114213.db2.gz MJJRUXNSCFSYTF-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000474487445 375115355 /nfs/dbraw/zinc/11/53/55/375115355.db2.gz VLLUBPNUVAIKRF-RCCFBDPRSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000474636510 375123261 /nfs/dbraw/zinc/12/32/61/375123261.db2.gz UXUYYGKBLRKFNG-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000474636510 375123264 /nfs/dbraw/zinc/12/32/64/375123264.db2.gz UXUYYGKBLRKFNG-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000187961753 375126682 /nfs/dbraw/zinc/12/66/82/375126682.db2.gz OJYOLCDVSAMAGI-OAHLLOKOSA-N 2 1 298.434 3.088 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000187961753 375126688 /nfs/dbraw/zinc/12/66/88/375126688.db2.gz OJYOLCDVSAMAGI-OAHLLOKOSA-N 2 1 298.434 3.088 20 0 CGADMP Cc1[nH+]c2ccccc2c(N2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000488719490 375312519 /nfs/dbraw/zinc/31/25/19/375312519.db2.gz WNCPEYRNBWEYMR-IBGZPJMESA-N 2 1 295.430 3.384 20 0 CGADMP C[C@H]1C[C@@H](N(C)Cc2cc(F)ccc2Cl)CC[N@H+]1C ZINC000189069502 375318414 /nfs/dbraw/zinc/31/84/14/375318414.db2.gz RCJWEPFSMLZAKU-FZMZJTMJSA-N 2 1 284.806 3.394 20 0 CGADMP C[C@H](C[NH2+]Cc1cnc(C2CCCC2)s1)C[NH+](C)C ZINC000491592561 375335323 /nfs/dbraw/zinc/33/53/23/375335323.db2.gz WTXZVCBRMMQAAS-GFCCVEGCSA-N 2 1 281.469 3.088 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)C[NH+](C)C ZINC000491589202 375335432 /nfs/dbraw/zinc/33/54/32/375335432.db2.gz OTEIHOHWEWSBSS-VIFPVBQESA-N 2 1 280.359 3.054 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@@H]1C ZINC000494886123 375493729 /nfs/dbraw/zinc/49/37/29/375493729.db2.gz MIYHBHZEUPAJTP-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP FC1(F)CCCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000495015295 375495760 /nfs/dbraw/zinc/49/57/60/375495760.db2.gz FYFAPZJBPQKHNS-KKUMJFAQSA-N 2 1 286.410 3.418 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2occc21 ZINC000190941228 375550834 /nfs/dbraw/zinc/55/08/34/375550834.db2.gz BMOMMBZJEAIUSG-HNNXBMFYSA-N 2 1 273.380 3.232 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190979820 375556336 /nfs/dbraw/zinc/55/63/36/375556336.db2.gz XFGKRENYYVBPRP-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190979820 375556342 /nfs/dbraw/zinc/55/63/42/375556342.db2.gz XFGKRENYYVBPRP-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190979820 375556348 /nfs/dbraw/zinc/55/63/48/375556348.db2.gz XFGKRENYYVBPRP-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000191065348 375571194 /nfs/dbraw/zinc/57/11/94/375571194.db2.gz MZLYILVDBLXZPH-NVXWUHKLSA-N 2 1 264.457 3.252 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000121479724 542018861 /nfs/dbraw/zinc/01/88/61/542018861.db2.gz DKGHKTWSSWFUEA-SJKOYZFVSA-N 2 1 287.382 3.244 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336119362 375699934 /nfs/dbraw/zinc/69/99/34/375699934.db2.gz IHJMJGMQXICKSE-BBRMVZONSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336119362 375699937 /nfs/dbraw/zinc/69/99/37/375699937.db2.gz IHJMJGMQXICKSE-BBRMVZONSA-N 2 1 264.388 3.303 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192893382 375799847 /nfs/dbraw/zinc/79/98/47/375799847.db2.gz WFXYTWMWFXKXHR-CCNLRDMRSA-N 2 1 272.436 3.313 20 0 CGADMP CC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192928004 375805576 /nfs/dbraw/zinc/80/55/76/375805576.db2.gz XYLYCGPOQIZLLQ-DOTOQJQBSA-N 2 1 260.425 3.144 20 0 CGADMP c1ccc2c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccnc2c1 ZINC000515002731 375808591 /nfs/dbraw/zinc/80/85/91/375808591.db2.gz UETCARUTGPGWHY-HNAYVOBHSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)CC1CCCCCC1 ZINC000515557168 375814925 /nfs/dbraw/zinc/81/49/25/375814925.db2.gz SHBKBZTZPIYFML-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CCCCCC1 ZINC000515557168 375814928 /nfs/dbraw/zinc/81/49/28/375814928.db2.gz SHBKBZTZPIYFML-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CCCCCC1 ZINC000515557168 375814929 /nfs/dbraw/zinc/81/49/29/375814929.db2.gz SHBKBZTZPIYFML-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CCCCCC1 ZINC000515557168 375814936 /nfs/dbraw/zinc/81/49/36/375814936.db2.gz SHBKBZTZPIYFML-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CCCCCC1 ZINC000515557168 375814940 /nfs/dbraw/zinc/81/49/40/375814940.db2.gz SHBKBZTZPIYFML-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000336840797 376001803 /nfs/dbraw/zinc/00/18/03/376001803.db2.gz NCPYCYKPULWJGP-SFHVURJKSA-N 2 1 283.419 3.289 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000336840797 376001808 /nfs/dbraw/zinc/00/18/08/376001808.db2.gz NCPYCYKPULWJGP-SFHVURJKSA-N 2 1 283.419 3.289 20 0 CGADMP Cc1nccn1CCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000534955312 376007932 /nfs/dbraw/zinc/00/79/32/376007932.db2.gz JVKFRFKIHTTZNG-ZDUSSCGKSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000534955312 376007943 /nfs/dbraw/zinc/00/79/43/376007943.db2.gz JVKFRFKIHTTZNG-ZDUSSCGKSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000534956090 376009639 /nfs/dbraw/zinc/00/96/39/376009639.db2.gz RFFFDLYYBUYODS-USXIJHARSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000534956090 376009643 /nfs/dbraw/zinc/00/96/43/376009643.db2.gz RFFFDLYYBUYODS-USXIJHARSA-N 2 1 275.440 3.482 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccnc3ccccc23)CC1 ZINC000535780239 376058425 /nfs/dbraw/zinc/05/84/25/376058425.db2.gz COQKJEQJBCCGCD-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccnc3ccccc23)CC1 ZINC000535780239 376058426 /nfs/dbraw/zinc/05/84/26/376058426.db2.gz COQKJEQJBCCGCD-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000536067675 376077635 /nfs/dbraw/zinc/07/76/35/376077635.db2.gz VFLJGCAZGRNJJQ-HNNXBMFYSA-N 2 1 261.413 3.180 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536858668 376137531 /nfs/dbraw/zinc/13/75/31/376137531.db2.gz RFUZFOIFFXTOJA-YYIAUSFCSA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000215971516 376154158 /nfs/dbraw/zinc/15/41/58/376154158.db2.gz YJPLPKFIIHOMHZ-KGLIPLIRSA-N 2 1 284.403 3.018 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000537309589 376162069 /nfs/dbraw/zinc/16/20/69/376162069.db2.gz ODSHACXKMAEDHF-NUJGCVRESA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537306518 376162462 /nfs/dbraw/zinc/16/24/62/376162462.db2.gz GVZUWAHRVCDKQS-RDJZCZTQSA-N 2 1 260.425 3.285 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000337189440 376126292 /nfs/dbraw/zinc/12/62/92/376126292.db2.gz RNVYWFUAXQXNQL-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000337189440 376126297 /nfs/dbraw/zinc/12/62/97/376126297.db2.gz RNVYWFUAXQXNQL-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000337189440 376126305 /nfs/dbraw/zinc/12/63/05/376126305.db2.gz RNVYWFUAXQXNQL-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000337189440 376126310 /nfs/dbraw/zinc/12/63/10/376126310.db2.gz RNVYWFUAXQXNQL-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000537968832 376214071 /nfs/dbraw/zinc/21/40/71/376214071.db2.gz ZCBAQQZIWPDARP-NVXWUHKLSA-N 2 1 274.452 3.185 20 0 CGADMP CC(C)OC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000337347610 376214274 /nfs/dbraw/zinc/21/42/74/376214274.db2.gz XSJKSHXQJPPWEH-JKSUJKDBSA-N 2 1 270.461 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)[C@@H](C)C1 ZINC000537984765 376215260 /nfs/dbraw/zinc/21/52/60/376215260.db2.gz IDWSQRDCALGNCY-QSPRXWTASA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000226318272 376351809 /nfs/dbraw/zinc/35/18/09/376351809.db2.gz HLDQCROQFNKZIR-JKSUJKDBSA-N 2 1 262.441 3.328 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000226318272 376351815 /nfs/dbraw/zinc/35/18/15/376351815.db2.gz HLDQCROQFNKZIR-JKSUJKDBSA-N 2 1 262.441 3.328 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000338323672 376334646 /nfs/dbraw/zinc/33/46/46/376334646.db2.gz WMNFXSUEPVNMNF-HNNXBMFYSA-N 2 1 260.425 3.165 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000338323672 376334652 /nfs/dbraw/zinc/33/46/52/376334652.db2.gz WMNFXSUEPVNMNF-HNNXBMFYSA-N 2 1 260.425 3.165 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1C ZINC000539056250 376288745 /nfs/dbraw/zinc/28/87/45/376288745.db2.gz BUVHOWGZKRRKHI-ZACQAIPSSA-N 2 1 290.451 3.082 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000226325565 376351188 /nfs/dbraw/zinc/35/11/88/376351188.db2.gz SSWDRLJEQOZHKD-CVEARBPZSA-N 2 1 260.425 3.241 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226435802 376360620 /nfs/dbraw/zinc/36/06/20/376360620.db2.gz QKBJUVDFXVCYGR-OAHLLOKOSA-N 2 1 264.388 3.036 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000540194962 376366227 /nfs/dbraw/zinc/36/62/27/376366227.db2.gz MRPVLVDHWMNZBT-BEFAXECRSA-N 2 1 298.430 3.148 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338687100 376481049 /nfs/dbraw/zinc/48/10/49/376481049.db2.gz LGJGEEGJOUZZOZ-OLMNPRSZSA-N 2 1 283.419 3.363 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915272 376592341 /nfs/dbraw/zinc/59/23/41/376592341.db2.gz XNSCHELTRCKVSR-NSISKUIASA-N 2 1 298.474 3.208 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915272 376592345 /nfs/dbraw/zinc/59/23/45/376592345.db2.gz XNSCHELTRCKVSR-NSISKUIASA-N 2 1 298.474 3.208 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915272 376592349 /nfs/dbraw/zinc/59/23/49/376592349.db2.gz XNSCHELTRCKVSR-NSISKUIASA-N 2 1 298.474 3.208 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000237718757 376758680 /nfs/dbraw/zinc/75/86/80/376758680.db2.gz WZENOKDTNGNMKO-JKSUJKDBSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000237718757 376758687 /nfs/dbraw/zinc/75/86/87/376758687.db2.gz WZENOKDTNGNMKO-JKSUJKDBSA-N 2 1 264.457 3.443 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000544894824 376768198 /nfs/dbraw/zinc/76/81/98/376768198.db2.gz WUKUKFMKLWNYFH-XLAORIBOSA-N 2 1 296.499 3.386 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158892037 542144850 /nfs/dbraw/zinc/14/48/50/542144850.db2.gz CIUZOVKHBLIVEL-HIFRSBDPSA-N 2 1 285.435 3.091 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245520942 376842008 /nfs/dbraw/zinc/84/20/08/376842008.db2.gz SYTFOYVNAFUCSO-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000245547791 376849028 /nfs/dbraw/zinc/84/90/28/376849028.db2.gz XYVVJFWRKMUTBB-CVEARBPZSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000245547791 376849035 /nfs/dbraw/zinc/84/90/35/376849035.db2.gz XYVVJFWRKMUTBB-CVEARBPZSA-N 2 1 290.451 3.043 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000246148431 376976048 /nfs/dbraw/zinc/97/60/48/376976048.db2.gz KVRXRZIQGZRNLH-SWLSCSKDSA-N 2 1 296.842 3.169 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000246148431 376976052 /nfs/dbraw/zinc/97/60/52/376976052.db2.gz KVRXRZIQGZRNLH-SWLSCSKDSA-N 2 1 296.842 3.169 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245841011 376916059 /nfs/dbraw/zinc/91/60/59/376916059.db2.gz JWDSZMBANOHWTA-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245942446 376940350 /nfs/dbraw/zinc/94/03/50/376940350.db2.gz AYFNRPQKKFQDLL-QAPCUYQASA-N 2 1 290.451 3.324 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000245986064 376949486 /nfs/dbraw/zinc/94/94/86/376949486.db2.gz CCNNQDYVTQGGIR-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246434361 377030269 /nfs/dbraw/zinc/03/02/69/377030269.db2.gz CYFGIZQIYNEKKH-HZPDHXFCSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246434361 377030278 /nfs/dbraw/zinc/03/02/78/377030278.db2.gz CYFGIZQIYNEKKH-HZPDHXFCSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246434361 377030286 /nfs/dbraw/zinc/03/02/86/377030286.db2.gz CYFGIZQIYNEKKH-HZPDHXFCSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246434361 377030298 /nfs/dbraw/zinc/03/02/98/377030298.db2.gz CYFGIZQIYNEKKH-HZPDHXFCSA-N 2 1 290.451 3.420 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246564840 377053190 /nfs/dbraw/zinc/05/31/90/377053190.db2.gz XLFDGKISEKVDKI-WMZOPIPTSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000558419098 377006950 /nfs/dbraw/zinc/00/69/50/377006950.db2.gz HRXVRMYDYRVEKK-CWDCEQMOSA-N 2 1 276.399 3.159 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246877762 377109335 /nfs/dbraw/zinc/10/93/35/377109335.db2.gz CXLUKXDXSWNJCD-WCVJEAGWSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246877762 377109338 /nfs/dbraw/zinc/10/93/38/377109338.db2.gz CXLUKXDXSWNJCD-WCVJEAGWSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@@H](C)C1 ZINC000246890874 377112168 /nfs/dbraw/zinc/11/21/68/377112168.db2.gz FKHXCKFUQXLWTR-WMZOPIPTSA-N 2 1 286.463 3.428 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000340457966 377069297 /nfs/dbraw/zinc/06/92/97/377069297.db2.gz FFLFQGXBDRAJOG-HLLBOEOZSA-N 2 1 278.415 3.235 20 0 CGADMP CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246940646 377125025 /nfs/dbraw/zinc/12/50/25/377125025.db2.gz DZUFQGNCFNLORV-RDJZCZTQSA-N 2 1 260.425 3.381 20 0 CGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000559765757 377096505 /nfs/dbraw/zinc/09/65/05/377096505.db2.gz AUTRIAYISXFJBE-BZSNNMDCSA-N 2 1 290.451 3.083 20 0 CGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000559765757 377096508 /nfs/dbraw/zinc/09/65/08/377096508.db2.gz AUTRIAYISXFJBE-BZSNNMDCSA-N 2 1 290.451 3.083 20 0 CGADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246820516 377096716 /nfs/dbraw/zinc/09/67/16/377096716.db2.gz AOMKSEAUDMVMCK-YLFCFFPRSA-N 2 1 290.451 3.081 20 0 CGADMP CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246940646 377125031 /nfs/dbraw/zinc/12/50/31/377125031.db2.gz DZUFQGNCFNLORV-RDJZCZTQSA-N 2 1 260.425 3.381 20 0 CGADMP CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246940646 377125038 /nfs/dbraw/zinc/12/50/38/377125038.db2.gz DZUFQGNCFNLORV-RDJZCZTQSA-N 2 1 260.425 3.381 20 0 CGADMP CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246940646 377125048 /nfs/dbraw/zinc/12/50/48/377125048.db2.gz DZUFQGNCFNLORV-RDJZCZTQSA-N 2 1 260.425 3.381 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccnc2)C(C)C)[C@H](C)C1 ZINC000247007057 377136332 /nfs/dbraw/zinc/13/63/32/377136332.db2.gz KCQKCRFJBUQVEB-NJAFHUGGSA-N 2 1 289.467 3.141 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000247073131 377155069 /nfs/dbraw/zinc/15/50/69/377155069.db2.gz QHWGXRKHENLXEB-JFIYKMOQSA-N 2 1 274.452 3.430 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(CC)nc2C)C1 ZINC000247117102 377162775 /nfs/dbraw/zinc/16/27/75/377162775.db2.gz QYAWTROVRDODOS-OCCSQVGLSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000560525562 377162973 /nfs/dbraw/zinc/16/29/73/377162973.db2.gz QGYMTZBUKXGZIB-RCCFBDPRSA-N 2 1 272.436 3.211 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CCCOC)C1 ZINC000247938633 377246338 /nfs/dbraw/zinc/24/63/38/377246338.db2.gz CUFNICZJADPWSC-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CCCOC)C1 ZINC000247938633 377246345 /nfs/dbraw/zinc/24/63/45/377246345.db2.gz CUFNICZJADPWSC-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC000247968235 377250719 /nfs/dbraw/zinc/25/07/19/377250719.db2.gz IQIIKHBFDJIGLX-HOCLYGCPSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@H](c1ccc(F)cc1F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247991448 377253977 /nfs/dbraw/zinc/25/39/77/377253977.db2.gz JLWFOBCYEHOGFF-IIYDPXPESA-N 2 1 294.389 3.442 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000248067723 377263113 /nfs/dbraw/zinc/26/31/13/377263113.db2.gz ZTQWMMAKAOOYPJ-WDYCEAGBSA-N 2 1 286.463 3.426 20 0 CGADMP C[C@@H]1CCC[N@H+]1Cc1cncc(C[NH+]2CCC[C@@H]2C)c1 ZINC000562533189 377325883 /nfs/dbraw/zinc/32/58/83/377325883.db2.gz KKBJVQUDBSPEAR-GASCZTMLSA-N 2 1 273.424 3.050 20 0 CGADMP C[C@@H]1CCC[NH+]1Cc1cncc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000562533189 377325885 /nfs/dbraw/zinc/32/58/85/377325885.db2.gz KKBJVQUDBSPEAR-GASCZTMLSA-N 2 1 273.424 3.050 20 0 CGADMP C[C@@H]1CCC[NH+]1Cc1cncc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000562533189 377325889 /nfs/dbraw/zinc/32/58/89/377325889.db2.gz KKBJVQUDBSPEAR-GASCZTMLSA-N 2 1 273.424 3.050 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000248474010 377328983 /nfs/dbraw/zinc/32/89/83/377328983.db2.gz WYINQMNMSFEFDO-IIAWOOMASA-N 2 1 263.429 3.244 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccs2)[C@@H](C)C1 ZINC000248200493 377280066 /nfs/dbraw/zinc/28/00/66/377280066.db2.gz YNHPGDXLQZLHJG-UONOGXRCSA-N 2 1 280.481 3.346 20 0 CGADMP C1=CO[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000249039566 377448244 /nfs/dbraw/zinc/44/82/44/377448244.db2.gz UHIASNKNPIWVBW-QZTJIDSGSA-N 2 1 292.467 3.267 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000563135858 377408141 /nfs/dbraw/zinc/40/81/41/377408141.db2.gz VEIKRQDDNMPAGX-VQTJNVASSA-N 2 1 292.426 3.395 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC000563152549 377410376 /nfs/dbraw/zinc/41/03/76/377410376.db2.gz NNKANQWWOAYEGC-HYVNUMGLSA-N 2 1 292.854 3.332 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000563442442 377467415 /nfs/dbraw/zinc/46/74/15/377467415.db2.gz JCWZISCDHSYBFZ-MOPGFXCFSA-N 2 1 298.474 3.473 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249215495 377480654 /nfs/dbraw/zinc/48/06/54/377480654.db2.gz ZPHWPCAHMGATNF-NZSAHSFTSA-N 2 1 286.463 3.428 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249375664 377493658 /nfs/dbraw/zinc/49/36/58/377493658.db2.gz JKWYSDWQIOVZHE-RVKKMQEKSA-N 2 1 290.451 3.041 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000249382042 377496544 /nfs/dbraw/zinc/49/65/44/377496544.db2.gz SZJNJDOJTGUOHN-HUUCEWRRSA-N 2 1 272.436 3.168 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000086115683 249017098 /nfs/dbraw/zinc/01/70/98/249017098.db2.gz JLLVUXOAEWLSHJ-KRWDZBQOSA-N 2 1 260.425 3.287 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000250110087 377552124 /nfs/dbraw/zinc/55/21/24/377552124.db2.gz KBIAGSHZJXFIPZ-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250673524 377565011 /nfs/dbraw/zinc/56/50/11/377565011.db2.gz VWWYOBPQKZLHPE-NXOAAHMSSA-N 2 1 262.441 3.172 20 0 CGADMP c1ccc(CC[C@@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000469879262 249161304 /nfs/dbraw/zinc/16/13/04/249161304.db2.gz FJTCCUGLRXMZLR-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)([NH3+])C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000469872582 249161850 /nfs/dbraw/zinc/16/18/50/249161850.db2.gz RFGMIYDBWPMYAM-UHFFFAOYSA-N 2 1 264.388 3.308 20 0 CGADMP CCC[N@@H+](C/C=C\c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000469992616 249165907 /nfs/dbraw/zinc/16/59/07/249165907.db2.gz SEJDUWZXXJWZFD-ARJAWSKDSA-N 2 1 276.399 3.303 20 0 CGADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000469984648 249164366 /nfs/dbraw/zinc/16/43/66/249164366.db2.gz UIQSCNFAHNBEJV-DOTOQJQBSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000250894196 377569556 /nfs/dbraw/zinc/56/95/56/377569556.db2.gz HWFYMQPJGOMQBG-MAZHCROVSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000251253450 377578355 /nfs/dbraw/zinc/57/83/55/377578355.db2.gz JNVUHIZFSODWJC-UBHSHLNASA-N 2 1 250.411 3.026 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000251253450 377578362 /nfs/dbraw/zinc/57/83/62/377578362.db2.gz JNVUHIZFSODWJC-UBHSHLNASA-N 2 1 250.411 3.026 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CC2Cc3ccccc3C2)CC1 ZINC000516122879 249226147 /nfs/dbraw/zinc/22/61/47/249226147.db2.gz DUDLNMBUQBWIBD-UHFFFAOYSA-N 2 1 286.463 3.208 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OC(F)F)c1 ZINC000517438598 249265737 /nfs/dbraw/zinc/26/57/37/249265737.db2.gz GFLRQVCCFDTIJA-SWLSCSKDSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OC(F)F)c1 ZINC000517438598 249265738 /nfs/dbraw/zinc/26/57/38/249265738.db2.gz GFLRQVCCFDTIJA-SWLSCSKDSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000517438598 249265741 /nfs/dbraw/zinc/26/57/41/249265741.db2.gz GFLRQVCCFDTIJA-SWLSCSKDSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000517438598 249265744 /nfs/dbraw/zinc/26/57/44/249265744.db2.gz GFLRQVCCFDTIJA-SWLSCSKDSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](C)C1 ZINC000251770487 377598972 /nfs/dbraw/zinc/59/89/72/377598972.db2.gz FANVVYSXIZNYQC-SUJAAXHWSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000180033685 542205649 /nfs/dbraw/zinc/20/56/49/542205649.db2.gz YFELXVVQGZFUCV-ZDUSSCGKSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000180033685 542205651 /nfs/dbraw/zinc/20/56/51/542205651.db2.gz YFELXVVQGZFUCV-ZDUSSCGKSA-N 2 1 278.444 3.023 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC[N@@H+]1C ZINC000252089359 377613346 /nfs/dbraw/zinc/61/33/46/377613346.db2.gz GXRKYXNBZYUWHS-DMRZNYOFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC[N@H+]1C ZINC000252089359 377613354 /nfs/dbraw/zinc/61/33/54/377613354.db2.gz GXRKYXNBZYUWHS-DMRZNYOFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252214725 377619231 /nfs/dbraw/zinc/61/92/31/377619231.db2.gz YXSTYKIGYBFNHX-XJKCOSOUSA-N 2 1 280.843 3.343 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252214725 377619238 /nfs/dbraw/zinc/61/92/38/377619238.db2.gz YXSTYKIGYBFNHX-XJKCOSOUSA-N 2 1 280.843 3.343 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252667818 377646722 /nfs/dbraw/zinc/64/67/22/377646722.db2.gz OJHBDODPWWIGMH-SJORKVTESA-N 2 1 258.409 3.020 20 0 CGADMP CCCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674876 377649282 /nfs/dbraw/zinc/64/92/82/377649282.db2.gz VBGCCAHCHWXAMS-IRXDYDNUSA-N 2 1 288.435 3.192 20 0 CGADMP CCCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674876 377649289 /nfs/dbraw/zinc/64/92/89/377649289.db2.gz VBGCCAHCHWXAMS-IRXDYDNUSA-N 2 1 288.435 3.192 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000252673875 377650263 /nfs/dbraw/zinc/65/02/63/377650263.db2.gz NDHXPUHQFHMDJU-IRXDYDNUSA-N 2 1 272.436 3.328 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 ZINC000574365809 377655361 /nfs/dbraw/zinc/65/53/61/377655361.db2.gz HZLBLPRTGWOEKP-ULQDDVLXSA-N 2 1 274.452 3.499 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2cnccc21 ZINC000181522700 542219525 /nfs/dbraw/zinc/21/95/25/542219525.db2.gz WYPSCAAKOWZLCU-AWEZNQCLSA-N 2 1 294.402 3.166 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC1(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000342588277 377675878 /nfs/dbraw/zinc/67/58/78/377675878.db2.gz CUTLZSFYWVWPIY-LZWOXQAQSA-N 2 1 264.457 3.418 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000342817066 377815303 /nfs/dbraw/zinc/81/53/03/377815303.db2.gz ZYFCYPZDXVXPHF-IUODEOHRSA-N 2 1 296.842 3.169 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261563947 377817539 /nfs/dbraw/zinc/81/75/39/377817539.db2.gz HCWNCPDZXKZZJY-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261563947 377817544 /nfs/dbraw/zinc/81/75/44/377817544.db2.gz HCWNCPDZXKZZJY-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc4ccccc34)C[C@@H]12 ZINC000261631284 377829545 /nfs/dbraw/zinc/82/95/45/377829545.db2.gz WAKUGTJNCITBMJ-NILFDRSVSA-N 2 1 272.417 3.070 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261632924 377831570 /nfs/dbraw/zinc/83/15/70/377831570.db2.gz BLGCWRCSCRCULR-XHDPSFHLSA-N 2 1 284.350 3.020 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261660150 377836806 /nfs/dbraw/zinc/83/68/06/377836806.db2.gz DWIYKBBYPUZICZ-BZSNNMDCSA-N 2 1 272.436 3.054 20 0 CGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000342937744 377867126 /nfs/dbraw/zinc/86/71/26/377867126.db2.gz INOPTUUQTXSXFC-KRWDZBQOSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000342937744 377867130 /nfs/dbraw/zinc/86/71/30/377867130.db2.gz INOPTUUQTXSXFC-KRWDZBQOSA-N 2 1 290.451 3.105 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261953912 377870972 /nfs/dbraw/zinc/87/09/72/377870972.db2.gz GHYMGTCKOUOBBI-MRXNPFEDSA-N 2 1 272.417 3.087 20 0 CGADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000261957412 377874260 /nfs/dbraw/zinc/87/42/60/377874260.db2.gz OUQLTMVZDFHWMS-CRAIPNDOSA-N 2 1 272.436 3.172 20 0 CGADMP c1ccc2oc([C@@H]3CCCC[N@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000261991164 377875271 /nfs/dbraw/zinc/87/52/71/377875271.db2.gz SIBUQFBDEAULQT-HOCLYGCPSA-N 2 1 299.418 3.354 20 0 CGADMP c1ccc2oc([C@@H]3CCCC[N@@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000261991164 377875280 /nfs/dbraw/zinc/87/52/80/377875280.db2.gz SIBUQFBDEAULQT-HOCLYGCPSA-N 2 1 299.418 3.354 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262055209 377885133 /nfs/dbraw/zinc/88/51/33/377885133.db2.gz QNRTZOQGXZWHHI-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262055209 377885137 /nfs/dbraw/zinc/88/51/37/377885137.db2.gz QNRTZOQGXZWHHI-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000262456429 377899113 /nfs/dbraw/zinc/89/91/13/377899113.db2.gz IDNNBJNBDWFDCQ-KSZLIROESA-N 2 1 295.430 3.102 20 0 CGADMP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000261743606 377848344 /nfs/dbraw/zinc/84/83/44/377848344.db2.gz BPCOLWASKAFVRT-YOEHRIQHSA-N 2 1 276.399 3.352 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@](C)(C[NH3+])C2)cc1C ZINC000261770183 377851857 /nfs/dbraw/zinc/85/18/57/377851857.db2.gz MGYNDMBOIMOMQL-MRXNPFEDSA-N 2 1 278.465 3.066 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261805633 377855678 /nfs/dbraw/zinc/85/56/78/377855678.db2.gz OKTFYWMKSINHIP-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261819697 377857440 /nfs/dbraw/zinc/85/74/40/377857440.db2.gz APQDTDZCBDUCFY-YJBOKZPZSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCCC(C)(C)C1 ZINC000575599719 377920653 /nfs/dbraw/zinc/92/06/53/377920653.db2.gz OHYYPNKVROXKKU-PMPSAXMXSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCCC(C)(C)C1 ZINC000575599719 377920656 /nfs/dbraw/zinc/92/06/56/377920656.db2.gz OHYYPNKVROXKKU-PMPSAXMXSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000575599719 377920662 /nfs/dbraw/zinc/92/06/62/377920662.db2.gz OHYYPNKVROXKKU-PMPSAXMXSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000575599719 377920669 /nfs/dbraw/zinc/92/06/69/377920669.db2.gz OHYYPNKVROXKKU-PMPSAXMXSA-N 2 1 266.473 3.475 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC000343191805 377923309 /nfs/dbraw/zinc/92/33/09/377923309.db2.gz INBWAQRVAIOHCT-AWEZNQCLSA-N 2 1 263.429 3.388 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000343541021 378012419 /nfs/dbraw/zinc/01/24/19/378012419.db2.gz WZGKFODWHFUJTM-UONOGXRCSA-N 2 1 251.418 3.386 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343609772 378039695 /nfs/dbraw/zinc/03/96/95/378039695.db2.gz HOXRIPQIPQMTSZ-UONOGXRCSA-N 2 1 291.464 3.127 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343609772 378039701 /nfs/dbraw/zinc/03/97/01/378039701.db2.gz HOXRIPQIPQMTSZ-UONOGXRCSA-N 2 1 291.464 3.127 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1F ZINC000268791586 378112563 /nfs/dbraw/zinc/11/25/63/378112563.db2.gz GMLNYFQILYHMSC-NSHDSACASA-N 2 1 293.411 3.403 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268799794 378114084 /nfs/dbraw/zinc/11/40/84/378114084.db2.gz JZUNAWVWIHGZOL-AHCXZYCDSA-N 2 1 272.436 3.143 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268799794 378114087 /nfs/dbraw/zinc/11/40/87/378114087.db2.gz JZUNAWVWIHGZOL-AHCXZYCDSA-N 2 1 272.436 3.143 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000268853477 378131901 /nfs/dbraw/zinc/13/19/01/378131901.db2.gz LAMBJKJMDWNXNZ-GJZGRUSLSA-N 2 1 271.408 3.363 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268855053 378132252 /nfs/dbraw/zinc/13/22/52/378132252.db2.gz LFXWDGKNHMVNQG-CQSZACIVSA-N 2 1 287.407 3.249 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000268898311 378145598 /nfs/dbraw/zinc/14/55/98/378145598.db2.gz VZZZRHRAAZLXBT-CQSZACIVSA-N 2 1 289.398 3.332 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc2c(c1)CCO2 ZINC000268905294 378148473 /nfs/dbraw/zinc/14/84/73/378148473.db2.gz XQOMMRARCGFHGV-KRWDZBQOSA-N 2 1 299.418 3.257 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000268788113 378110494 /nfs/dbraw/zinc/11/04/94/378110494.db2.gz FNFQECBXBNODRF-LBPRGKRZSA-N 2 1 269.348 3.289 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000269127757 378190721 /nfs/dbraw/zinc/19/07/21/378190721.db2.gz GYOGXICMBBMNGX-MRXNPFEDSA-N 2 1 286.423 3.272 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nccc2ccccc21 ZINC000579897928 378205518 /nfs/dbraw/zinc/20/55/18/378205518.db2.gz QBBWLOMLSWZPRT-GJZGRUSLSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000579897928 378205521 /nfs/dbraw/zinc/20/55/21/378205521.db2.gz QBBWLOMLSWZPRT-GJZGRUSLSA-N 2 1 283.419 3.227 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000580015696 378216862 /nfs/dbraw/zinc/21/68/62/378216862.db2.gz XASJDADXPIGPFW-CYBMUJFWSA-N 2 1 298.833 3.295 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000268995810 378168691 /nfs/dbraw/zinc/16/86/91/378168691.db2.gz KNXOGLZMNOZDEU-KGLIPLIRSA-N 2 1 271.408 3.226 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccs1 ZINC000269031697 378177241 /nfs/dbraw/zinc/17/72/41/378177241.db2.gz RVUHRSLIHHZJNK-LBPRGKRZSA-N 2 1 264.438 3.416 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000269057726 378181226 /nfs/dbraw/zinc/18/12/26/378181226.db2.gz XCYYWILHIOTFKJ-NXEZZACHSA-N 2 1 274.330 3.095 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000582094374 378285255 /nfs/dbraw/zinc/28/52/55/378285255.db2.gz KBJHIIRWOYLXOU-LEUOFYLZSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000582094374 378285258 /nfs/dbraw/zinc/28/52/58/378285258.db2.gz KBJHIIRWOYLXOU-LEUOFYLZSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000582094374 378285261 /nfs/dbraw/zinc/28/52/61/378285261.db2.gz KBJHIIRWOYLXOU-LEUOFYLZSA-N 2 1 276.468 3.395 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000580131688 378226370 /nfs/dbraw/zinc/22/63/70/378226370.db2.gz CRWDWDLSAWDKJV-UONOGXRCSA-N 2 1 268.470 3.389 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000580131688 378226374 /nfs/dbraw/zinc/22/63/74/378226374.db2.gz CRWDWDLSAWDKJV-UONOGXRCSA-N 2 1 268.470 3.389 20 0 CGADMP Clc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000269989108 378291464 /nfs/dbraw/zinc/29/14/64/378291464.db2.gz UFPFOZOLPKNBSO-NEPJUHHUSA-N 2 1 284.856 3.160 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(c2ccccn2)C1 ZINC000583573266 378332450 /nfs/dbraw/zinc/33/24/50/378332450.db2.gz PDFFVFQGQLOULL-QGZVFWFLSA-N 2 1 285.435 3.045 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(c2ccccn2)C1 ZINC000583573266 378332453 /nfs/dbraw/zinc/33/24/53/378332453.db2.gz PDFFVFQGQLOULL-QGZVFWFLSA-N 2 1 285.435 3.045 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000583573266 378332456 /nfs/dbraw/zinc/33/24/56/378332456.db2.gz PDFFVFQGQLOULL-QGZVFWFLSA-N 2 1 285.435 3.045 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC=C(c2ccccn2)C1 ZINC000583573266 378332459 /nfs/dbraw/zinc/33/24/59/378332459.db2.gz PDFFVFQGQLOULL-QGZVFWFLSA-N 2 1 285.435 3.045 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)C(C)C ZINC000583569850 378332518 /nfs/dbraw/zinc/33/25/18/378332518.db2.gz PXOPHWDDHCQFDQ-CQSZACIVSA-N 2 1 260.425 3.199 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)c(N)c(Cl)c1 ZINC000270420761 378348285 /nfs/dbraw/zinc/34/82/85/378348285.db2.gz FOXPACZTMCAFCJ-SECBINFHSA-N 2 1 290.238 3.178 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000271035719 378433205 /nfs/dbraw/zinc/43/32/05/378433205.db2.gz JTBUOMNIXQUOBF-UHFFFAOYSA-N 2 1 266.454 3.361 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000271035719 378433212 /nfs/dbraw/zinc/43/32/12/378433212.db2.gz JTBUOMNIXQUOBF-UHFFFAOYSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181774 378475134 /nfs/dbraw/zinc/47/51/34/378475134.db2.gz HXWJPZBGFYRCAR-YOEHRIQHSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181774 378475144 /nfs/dbraw/zinc/47/51/44/378475144.db2.gz HXWJPZBGFYRCAR-YOEHRIQHSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181774 378475152 /nfs/dbraw/zinc/47/51/52/378475152.db2.gz HXWJPZBGFYRCAR-YOEHRIQHSA-N 2 1 285.435 3.330 20 0 CGADMP CC(C)N1CCc2nc(C[N@@H+]3[C@H](C)CC[C@@H]3C)sc2C1 ZINC000346164297 378486592 /nfs/dbraw/zinc/48/65/92/378486592.db2.gz IGQNYBMOQPMKFN-BETUJISGSA-N 2 1 293.480 3.282 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCc2ccccc2C1 ZINC000346171365 378489623 /nfs/dbraw/zinc/48/96/23/378489623.db2.gz RRHNMMPLAXIOOO-GOSISDBHSA-N 2 1 272.436 3.309 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCc2ccccc2C1 ZINC000346171365 378489629 /nfs/dbraw/zinc/48/96/29/378489629.db2.gz RRHNMMPLAXIOOO-GOSISDBHSA-N 2 1 272.436 3.309 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCc2ccccc2C1 ZINC000346171365 378489635 /nfs/dbraw/zinc/48/96/35/378489635.db2.gz RRHNMMPLAXIOOO-GOSISDBHSA-N 2 1 272.436 3.309 20 0 CGADMP CC[C@H]1C[C@H](C)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346193257 378498662 /nfs/dbraw/zinc/49/86/62/378498662.db2.gz FQJALSCKRHKCQK-BBRMVZONSA-N 2 1 284.407 3.196 20 0 CGADMP CC(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272208042 378584728 /nfs/dbraw/zinc/58/47/28/378584728.db2.gz PSWCPFMZGWFNEL-DOTOQJQBSA-N 2 1 260.425 3.143 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc2C1 ZINC000346279473 378531297 /nfs/dbraw/zinc/53/12/97/378531297.db2.gz QHUYDFVTWASWMV-LJQANCHMSA-N 2 1 297.446 3.461 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc2C1 ZINC000346279473 378531301 /nfs/dbraw/zinc/53/13/01/378531301.db2.gz QHUYDFVTWASWMV-LJQANCHMSA-N 2 1 297.446 3.461 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC(C)(C)Oc2ccccc2)CC1 ZINC000637886644 378616260 /nfs/dbraw/zinc/61/62/60/378616260.db2.gz KQTJBQRHQDDCPL-UHFFFAOYSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC(C)(C)Oc2ccccc2)CC1 ZINC000637886644 378616264 /nfs/dbraw/zinc/61/62/64/378616264.db2.gz KQTJBQRHQDDCPL-UHFFFAOYSA-N 2 1 290.451 3.260 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C)ns2)CC1 ZINC000637906193 378625591 /nfs/dbraw/zinc/62/55/91/378625591.db2.gz RJNDDEIUNOITON-UHFFFAOYSA-N 2 1 295.496 3.395 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346652737 378662708 /nfs/dbraw/zinc/66/27/08/378662708.db2.gz HXVHCTLQULUKIY-OLZOCXBDSA-N 2 1 272.392 3.164 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000346668414 378669297 /nfs/dbraw/zinc/66/92/97/378669297.db2.gz IMXLGTCNYQAHOA-OLZOCXBDSA-N 2 1 288.366 3.255 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000272579902 378670271 /nfs/dbraw/zinc/67/02/71/378670271.db2.gz UYZXFNBMWWQJMJ-HNNXBMFYSA-N 2 1 274.408 3.145 20 0 CGADMP Cc1ccc(-c2ncc(C[N@@H+](C)CC(C)(C)C[NH3+])s2)o1 ZINC000346685262 378675218 /nfs/dbraw/zinc/67/52/18/378675218.db2.gz QOJQOKAHZDDMIX-UHFFFAOYSA-N 2 1 293.436 3.128 20 0 CGADMP Cc1ccc(-c2ncc(C[N@H+](C)CC(C)(C)C[NH3+])s2)o1 ZINC000346685262 378675226 /nfs/dbraw/zinc/67/52/26/378675226.db2.gz QOJQOKAHZDDMIX-UHFFFAOYSA-N 2 1 293.436 3.128 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000346692336 378676864 /nfs/dbraw/zinc/67/68/64/378676864.db2.gz YFPYRQSCRVPRMS-MNOVXSKESA-N 2 1 293.461 3.041 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638076780 378688344 /nfs/dbraw/zinc/68/83/44/378688344.db2.gz MGQKBEPONANTEC-KBAYOESNSA-N 2 1 272.436 3.064 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc2cccnc12 ZINC000346817811 378690820 /nfs/dbraw/zinc/69/08/20/378690820.db2.gz GCNYRHJIEHCXSD-BZSNNMDCSA-N 2 1 295.430 3.102 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000346882015 378696117 /nfs/dbraw/zinc/69/61/17/378696117.db2.gz ADEVVLYEQNLSMR-NVXWUHKLSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000346882015 378696122 /nfs/dbraw/zinc/69/61/22/378696122.db2.gz ADEVVLYEQNLSMR-NVXWUHKLSA-N 2 1 272.436 3.224 20 0 CGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CCC1CCCCCC1 ZINC000347995188 378748225 /nfs/dbraw/zinc/74/82/25/378748225.db2.gz FBEWVABNTIOMKZ-SFHVURJKSA-N 2 1 296.499 3.173 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2(C(C)C)CC2)C1 ZINC000638124277 378709558 /nfs/dbraw/zinc/70/95/58/378709558.db2.gz VGUKMGFVJPYIJN-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133941 378713232 /nfs/dbraw/zinc/71/32/32/378713232.db2.gz LSUDYHHUMYMDIJ-QXAKKESOSA-N 2 1 286.463 3.454 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133941 378713238 /nfs/dbraw/zinc/71/32/38/378713238.db2.gz LSUDYHHUMYMDIJ-QXAKKESOSA-N 2 1 286.463 3.454 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133941 378713243 /nfs/dbraw/zinc/71/32/43/378713243.db2.gz LSUDYHHUMYMDIJ-QXAKKESOSA-N 2 1 286.463 3.454 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000348111405 378797028 /nfs/dbraw/zinc/79/70/28/378797028.db2.gz AWMDDMWPGCUJQH-ZBFHGGJFSA-N 2 1 273.424 3.137 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000348136453 378807858 /nfs/dbraw/zinc/80/78/58/378807858.db2.gz NNKYSSNMKKUKQB-GRDNDAEWSA-N 2 1 299.418 3.399 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)s1 ZINC000346827149 218027458 /nfs/dbraw/zinc/02/74/58/218027458.db2.gz FXNJHBPEKBZKAD-UONOGXRCSA-N 2 1 264.438 3.193 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348237911 378857495 /nfs/dbraw/zinc/85/74/95/378857495.db2.gz DKOBJUDUURBTOO-OIISXLGYSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000275042715 378929346 /nfs/dbraw/zinc/92/93/46/378929346.db2.gz YWENSCVSGBMUJU-LLVKDONJSA-N 2 1 295.789 3.410 20 0 CGADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000638853462 378937248 /nfs/dbraw/zinc/93/72/48/378937248.db2.gz HAZMVMLRXWCUOV-GOSISDBHSA-N 2 1 290.451 3.041 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000346997198 218085381 /nfs/dbraw/zinc/08/53/81/218085381.db2.gz CNLIOXPCPKIUJX-WFASDCNBSA-N 2 1 272.392 3.164 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1c(C)noc1C ZINC000348343509 378918851 /nfs/dbraw/zinc/91/88/51/378918851.db2.gz IRLCBMZPMVHCOM-CABCVRRESA-N 2 1 279.428 3.207 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1c(C)noc1C ZINC000348343509 378918859 /nfs/dbraw/zinc/91/88/59/378918859.db2.gz IRLCBMZPMVHCOM-CABCVRRESA-N 2 1 279.428 3.207 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000347000869 218087623 /nfs/dbraw/zinc/08/76/23/218087623.db2.gz ZQPDVCOULCLAOH-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CSc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275303971 378955485 /nfs/dbraw/zinc/95/54/85/378955485.db2.gz QOZKLYDOQVTRIM-XJKSGUPXSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275303971 378955490 /nfs/dbraw/zinc/95/54/90/378955490.db2.gz QOZKLYDOQVTRIM-XJKSGUPXSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275303971 378955502 /nfs/dbraw/zinc/95/55/02/378955502.db2.gz QOZKLYDOQVTRIM-XJKSGUPXSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275303971 378955507 /nfs/dbraw/zinc/95/55/07/378955507.db2.gz QOZKLYDOQVTRIM-XJKSGUPXSA-N 2 1 278.465 3.181 20 0 CGADMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000276902755 379017777 /nfs/dbraw/zinc/01/77/77/379017777.db2.gz JIZGFEGRHHUOGC-HNNXBMFYSA-N 2 1 264.438 3.441 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000370592706 379037071 /nfs/dbraw/zinc/03/70/71/379037071.db2.gz IFQJNJRHASFNID-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCC(F)(F)F)CC[C@H]21 ZINC000370962001 379092031 /nfs/dbraw/zinc/09/20/31/379092031.db2.gz YTSLYVPOQGLSQW-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC(F)(F)F)CC[C@H]21 ZINC000370962001 379092039 /nfs/dbraw/zinc/09/20/39/379092039.db2.gz YTSLYVPOQGLSQW-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCC(F)(F)F)CC[C@H]21 ZINC000370962001 379092050 /nfs/dbraw/zinc/09/20/50/379092050.db2.gz YTSLYVPOQGLSQW-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnccc1C ZINC000277210379 379099569 /nfs/dbraw/zinc/09/95/69/379099569.db2.gz NGSMPCNBJTUFNB-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnccc1C ZINC000277210379 379099583 /nfs/dbraw/zinc/09/95/83/379099583.db2.gz NGSMPCNBJTUFNB-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000277240486 379108046 /nfs/dbraw/zinc/10/80/46/379108046.db2.gz ZSKJMIOXEVZSRN-ZFWWWQNUSA-N 2 1 294.389 3.427 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000277240486 379108052 /nfs/dbraw/zinc/10/80/52/379108052.db2.gz ZSKJMIOXEVZSRN-ZFWWWQNUSA-N 2 1 294.389 3.427 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2c(C)cccc2C)CC1 ZINC000355066732 227365140 /nfs/dbraw/zinc/36/51/40/227365140.db2.gz VLDGCEJINOHQFV-MRXNPFEDSA-N 2 1 290.451 3.065 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(C)cc1 ZINC000278852797 194183108 /nfs/dbraw/zinc/18/31/08/194183108.db2.gz AHGQKSQCIWIDDU-NVXWUHKLSA-N 2 1 283.419 3.495 20 0 CGADMP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000373482374 379286662 /nfs/dbraw/zinc/28/66/62/379286662.db2.gz GTTDGCSYRMVYDE-UHFFFAOYSA-N 2 1 264.438 3.163 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)ccc1C ZINC000349370271 379253755 /nfs/dbraw/zinc/25/37/55/379253755.db2.gz QSLXJTXGYKNSHC-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)ccc1C ZINC000349370271 379253758 /nfs/dbraw/zinc/25/37/58/379253758.db2.gz QSLXJTXGYKNSHC-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP CC(C)C1(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000639337389 379292545 /nfs/dbraw/zinc/29/25/45/379292545.db2.gz MMUYFARCUJFCQG-INIZCTEOSA-N 2 1 264.457 3.134 20 0 CGADMP C([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000639322659 379275600 /nfs/dbraw/zinc/27/56/00/379275600.db2.gz VCLKOLLUQRBOPA-OAHLLOKOSA-N 2 1 282.497 3.126 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000639322659 379275605 /nfs/dbraw/zinc/27/56/05/379275605.db2.gz VCLKOLLUQRBOPA-OAHLLOKOSA-N 2 1 282.497 3.126 20 0 CGADMP C[N@@H+](C[C@H]1CCCC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568983344 322229824 /nfs/dbraw/zinc/22/98/24/322229824.db2.gz HGIUCRPCZUDQHL-LSVZVQIISA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278926380 194216325 /nfs/dbraw/zinc/21/63/25/194216325.db2.gz IMFZGBXENDOINR-JKSUJKDBSA-N 2 1 283.419 3.413 20 0 CGADMP COc1cccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000192679733 542268379 /nfs/dbraw/zinc/26/83/79/542268379.db2.gz LIWTUSGKIUFRPQ-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000192679733 542268383 /nfs/dbraw/zinc/26/83/83/542268383.db2.gz LIWTUSGKIUFRPQ-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000192679733 542268384 /nfs/dbraw/zinc/26/83/84/542268384.db2.gz LIWTUSGKIUFRPQ-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(C)c1 ZINC000278970135 194233898 /nfs/dbraw/zinc/23/38/98/194233898.db2.gz NNDOWMXXUJGHJN-CVEARBPZSA-N 2 1 283.419 3.413 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000375051859 379484860 /nfs/dbraw/zinc/48/48/60/379484860.db2.gz XKJRIXAPONUWOI-QIOBLTBWSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1ccncc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000279840800 379531867 /nfs/dbraw/zinc/53/18/67/379531867.db2.gz HOTMCAZSDVVGOF-INIZCTEOSA-N 2 1 275.440 3.134 20 0 CGADMP Cc1cc(C)c(CN2CC=C(c3ccnn3C)CC2)c(C)n1 ZINC000639641838 379521972 /nfs/dbraw/zinc/52/19/72/379521972.db2.gz LNJXMILAKZTFMM-UHFFFAOYSA-N 2 1 296.418 3.030 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757339 379571624 /nfs/dbraw/zinc/57/16/24/379571624.db2.gz GLUDIWMMERPTFR-CYBMUJFWSA-N 2 1 294.389 3.444 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000639760359 379572087 /nfs/dbraw/zinc/57/20/87/379572087.db2.gz VWRCBQJKFYEAGO-YVMONPNESA-N 2 1 270.420 3.118 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000377398706 379670892 /nfs/dbraw/zinc/67/08/92/379670892.db2.gz JWKMPWSHPYDFFR-KKUMJFAQSA-N 2 1 275.440 3.462 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1C ZINC000352246489 379756425 /nfs/dbraw/zinc/75/64/25/379756425.db2.gz QFIJSOAVKPZKBT-YRGRVCCFSA-N 2 1 281.469 3.119 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc2c1 ZINC000352536095 379846014 /nfs/dbraw/zinc/84/60/14/379846014.db2.gz ZGSZIFWBHHRNAJ-CQSZACIVSA-N 2 1 288.391 3.145 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535918 379846452 /nfs/dbraw/zinc/84/64/52/379846452.db2.gz XFOXKOUVZBHLBX-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535918 379846459 /nfs/dbraw/zinc/84/64/59/379846459.db2.gz XFOXKOUVZBHLBX-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc2cccnc12 ZINC000352540502 379848239 /nfs/dbraw/zinc/84/82/39/379848239.db2.gz LYNBAESHYKZVBI-QGZVFWFLSA-N 2 1 283.419 3.247 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000352541396 379849589 /nfs/dbraw/zinc/84/95/89/379849589.db2.gz XJFKRWAPRSIMOE-QGZUEGPWSA-N 2 1 262.372 3.042 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541004 379849646 /nfs/dbraw/zinc/84/96/46/379849646.db2.gz SCVLSSRYODOMJJ-QGZVFWFLSA-N 2 1 286.444 3.477 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000380525736 379865082 /nfs/dbraw/zinc/86/50/82/379865082.db2.gz JNQSXWZAAMWKBB-UHFFFAOYSA-N 2 1 272.436 3.181 20 0 CGADMP C[C@H](F)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352447870 379818755 /nfs/dbraw/zinc/81/87/55/379818755.db2.gz OYNREKHAHKSAAN-JQHSSLGASA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H](F)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352447870 379818758 /nfs/dbraw/zinc/81/87/58/379818758.db2.gz OYNREKHAHKSAAN-JQHSSLGASA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H](F)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352447870 379818764 /nfs/dbraw/zinc/81/87/64/379818764.db2.gz OYNREKHAHKSAAN-JQHSSLGASA-N 2 1 290.426 3.188 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1CC=CC1 ZINC000640533400 379819034 /nfs/dbraw/zinc/81/90/34/379819034.db2.gz HVLOQCYQROBANA-UHFFFAOYSA-N 2 1 250.430 3.151 20 0 CGADMP Cc1nc(C[N@H+](C)CCCC[NH+]2CCCCC2)cs1 ZINC000640531162 379819285 /nfs/dbraw/zinc/81/92/85/379819285.db2.gz GIYCHRNRJLEYPR-UHFFFAOYSA-N 2 1 281.469 3.149 20 0 CGADMP Cc1nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cs1 ZINC000640531162 379819295 /nfs/dbraw/zinc/81/92/95/379819295.db2.gz GIYCHRNRJLEYPR-UHFFFAOYSA-N 2 1 281.469 3.149 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC[C@H]1CCOC1 ZINC000640534104 379819927 /nfs/dbraw/zinc/81/99/27/379819927.db2.gz LRWHBFMZPPLPSI-KRWDZBQOSA-N 2 1 282.472 3.001 20 0 CGADMP CC(C)C1CCC(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000382102031 379870830 /nfs/dbraw/zinc/87/08/30/379870830.db2.gz PAYJXPFVOIOTGX-AQFXKWCLSA-N 2 1 266.473 3.380 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000389583715 379900897 /nfs/dbraw/zinc/90/08/97/379900897.db2.gz MLWUWKQXMPUTAB-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000401792535 379958442 /nfs/dbraw/zinc/95/84/42/379958442.db2.gz XGBFFAAFPVJATI-QZTJIDSGSA-N 2 1 283.419 3.279 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)cc1C ZINC000283013216 380023913 /nfs/dbraw/zinc/02/39/13/380023913.db2.gz OWWNSIUCXTUQPD-UHFFFAOYSA-N 2 1 277.799 3.333 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347891281 218391497 /nfs/dbraw/zinc/39/14/97/218391497.db2.gz BKSWWPHGXHCZAN-USXIJHARSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000641717487 380058835 /nfs/dbraw/zinc/05/88/35/380058835.db2.gz BZNAUOWOGFMLIM-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP c1ccc(C2CC(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000283391335 380060382 /nfs/dbraw/zinc/06/03/82/380060382.db2.gz PPNHZTSGBNJWHH-FYOYPEGLSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283172777 380043106 /nfs/dbraw/zinc/04/31/06/380043106.db2.gz JIHRFMLEDBNFBV-WBAXXEDZSA-N 2 1 270.420 3.030 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000353061693 380098429 /nfs/dbraw/zinc/09/84/29/380098429.db2.gz OHSHHXKROGPUFE-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000353061693 380098438 /nfs/dbraw/zinc/09/84/38/380098438.db2.gz OHSHHXKROGPUFE-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2oc(-c3ccccc3)nc2C)CC[C@@H]1[NH3+] ZINC000641800393 380111485 /nfs/dbraw/zinc/11/14/85/380111485.db2.gz ZRZVJFLNTXJEST-HOCLYGCPSA-N 2 1 299.418 3.209 20 0 CGADMP C=Cn1cc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000289439222 197348187 /nfs/dbraw/zinc/34/81/87/197348187.db2.gz LUSIDXLKWLNTCI-UHFFFAOYSA-N 2 1 298.434 3.067 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000286321287 380194700 /nfs/dbraw/zinc/19/47/00/380194700.db2.gz XOEGNFDXHMAAON-HOCLYGCPSA-N 2 1 277.456 3.407 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC000643066680 380210174 /nfs/dbraw/zinc/21/01/74/380210174.db2.gz RQTBHBVKSQVFQM-YESZJQIVSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC000643066680 380210180 /nfs/dbraw/zinc/21/01/80/380210180.db2.gz RQTBHBVKSQVFQM-YESZJQIVSA-N 2 1 272.436 3.357 20 0 CGADMP CC1(C)[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000643501817 380324269 /nfs/dbraw/zinc/32/42/69/380324269.db2.gz QFZMJDLWTRLHGF-IXDOHACOSA-N 2 1 272.436 3.300 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000354101118 380325404 /nfs/dbraw/zinc/32/54/04/380325404.db2.gz QUSXGCRMSYOKDB-CYBMUJFWSA-N 2 1 282.815 3.097 20 0 CGADMP c1ccc(CC(Cc2ccccc2)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506962 380328722 /nfs/dbraw/zinc/32/87/22/380328722.db2.gz NVDVQIMWTCLNIW-UHFFFAOYSA-N 2 1 294.442 3.182 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000414688379 380375407 /nfs/dbraw/zinc/37/54/07/380375407.db2.gz DCMDZIBNEROYIM-RYUDHWBXSA-N 2 1 284.806 3.299 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414699182 380380310 /nfs/dbraw/zinc/38/03/10/380380310.db2.gz DLVGQHYNSHYXCV-FZKCQIBNSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414710253 380383502 /nfs/dbraw/zinc/38/35/02/380383502.db2.gz RTIHUZBNLXHAOE-FPMFFAJLSA-N 2 1 295.496 3.395 20 0 CGADMP CC(C)c1ccc(CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414727846 380389115 /nfs/dbraw/zinc/38/91/15/380389115.db2.gz BFUKGNLYKGFLSX-GOSISDBHSA-N 2 1 274.452 3.426 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC000414732312 380389323 /nfs/dbraw/zinc/38/93/23/380389323.db2.gz BJSORXNBFACEEY-AAEUAGOBSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526097 380340995 /nfs/dbraw/zinc/34/09/95/380340995.db2.gz PDUZYDMVSNLZSF-KBPBESRZSA-N 2 1 264.413 3.109 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000643527535 380343164 /nfs/dbraw/zinc/34/31/64/380343164.db2.gz OFJFLHFDKWPKBJ-ABAIWWIYSA-N 2 1 260.381 3.457 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3c2CCCN3)c2ccccc21 ZINC000643532179 380346584 /nfs/dbraw/zinc/34/65/84/380346584.db2.gz AKBQIKWYIOLUOE-PKOBYXMFSA-N 2 1 293.414 3.279 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000354165132 380351336 /nfs/dbraw/zinc/35/13/36/380351336.db2.gz FAZLAOWSJJCMLM-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000354165132 380351340 /nfs/dbraw/zinc/35/13/40/380351340.db2.gz FAZLAOWSJJCMLM-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000354165132 380351343 /nfs/dbraw/zinc/35/13/43/380351343.db2.gz FAZLAOWSJJCMLM-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000414663076 380358747 /nfs/dbraw/zinc/35/87/47/380358747.db2.gz AQUCTLICEVOKOG-KCQAQPDRSA-N 2 1 298.352 3.183 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1F ZINC000643546082 380359047 /nfs/dbraw/zinc/35/90/47/380359047.db2.gz IDYSCCCTHMVHNR-WCQYABFASA-N 2 1 280.362 3.290 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000414669348 380361997 /nfs/dbraw/zinc/36/19/97/380361997.db2.gz ZTNHQJTVJTXDPX-UKRRQHHQSA-N 2 1 278.465 3.358 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414812753 380424110 /nfs/dbraw/zinc/42/41/10/380424110.db2.gz LLCYUUWHJHHFFE-RKTXRCNFSA-N 2 1 260.425 3.286 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000414811571 380424395 /nfs/dbraw/zinc/42/43/95/380424395.db2.gz JOQRYAIRYDOTMG-DLBZAZTESA-N 2 1 262.441 3.423 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(SCC)c1 ZINC000414819519 380429511 /nfs/dbraw/zinc/42/95/11/380429511.db2.gz YXXSJGVYABOCNT-AWEZNQCLSA-N 2 1 266.454 3.406 20 0 CGADMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000414839506 380446161 /nfs/dbraw/zinc/44/61/61/380446161.db2.gz LJONPDMKUHFDGC-BDUNBXCCSA-N 2 1 276.399 3.336 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)s1)C1CCCCC1 ZINC000414840493 380448237 /nfs/dbraw/zinc/44/82/37/380448237.db2.gz MJOSGDYKRDXFRD-GFCCVEGCSA-N 2 1 272.845 3.399 20 0 CGADMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C1CCCCC1 ZINC000414851853 380453446 /nfs/dbraw/zinc/45/34/46/380453446.db2.gz PWZYDVQNXDBGDY-IMXKFXGHSA-N 2 1 294.389 3.475 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774637 380399204 /nfs/dbraw/zinc/39/92/04/380399204.db2.gz FOALQLOLNXWIKD-CABCVRRESA-N 2 1 278.827 3.162 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414785629 380402547 /nfs/dbraw/zinc/40/25/47/380402547.db2.gz SVVJHXZQLKBBRB-JKSUJKDBSA-N 2 1 290.476 3.230 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781920 380403572 /nfs/dbraw/zinc/40/35/72/380403572.db2.gz NSWWPCSHGJWUEW-OALUTQOASA-N 2 1 284.447 3.386 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414786237 380404692 /nfs/dbraw/zinc/40/46/92/380404692.db2.gz UICXMGWHVWLGOZ-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414853772 380455805 /nfs/dbraw/zinc/45/58/05/380455805.db2.gz TVXDWGWXBAONKB-LBPRGKRZSA-N 2 1 290.329 3.048 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccccc1)C1CCCCC1 ZINC000414854442 380456423 /nfs/dbraw/zinc/45/64/23/380456423.db2.gz VACYIFUZQLXSHP-PYUISTEWSA-N 2 1 258.409 3.197 20 0 CGADMP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+][C@H](C)C[NH3+])cc1 ZINC000414932071 380492872 /nfs/dbraw/zinc/49/28/72/380492872.db2.gz SFWJWNCIRCSPJO-XYPHTWIQSA-N 2 1 276.424 3.047 20 0 CGADMP CC1([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[NH2+]CC1 ZINC000414947280 380502830 /nfs/dbraw/zinc/50/28/30/380502830.db2.gz VZWFVYFZIVHHSL-UHFFFAOYSA-N 2 1 288.366 3.317 20 0 CGADMP COc1cc(C[NH2+]CC2([NH3+])CCCCCC2)ccc1C ZINC000414861324 380461698 /nfs/dbraw/zinc/46/16/98/380461698.db2.gz RWWFXMUBRMNSHM-UHFFFAOYSA-N 2 1 276.424 3.145 20 0 CGADMP Cc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1Oc1cccnc1 ZINC000414879739 380472389 /nfs/dbraw/zinc/47/23/89/380472389.db2.gz ITSFNAWKCXSSCB-UHFFFAOYSA-N 2 1 297.402 3.153 20 0 CGADMP CC[C@H]1CCC[C@H](C[NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414886309 380473771 /nfs/dbraw/zinc/47/37/71/380473771.db2.gz WFASVMPBVHSJPF-IRXDYDNUSA-N 2 1 289.467 3.367 20 0 CGADMP CCCCCOc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414895907 380477409 /nfs/dbraw/zinc/47/74/09/380477409.db2.gz NTMFOFAWCKQECW-KRWDZBQOSA-N 2 1 276.424 3.083 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCSCc2ccccc2)CC1 ZINC000279122699 194293139 /nfs/dbraw/zinc/29/31/39/194293139.db2.gz UPMDRDFETSLFIX-KRWDZBQOSA-N 2 1 292.492 3.336 20 0 CGADMP C[C@H](O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000354851781 380560585 /nfs/dbraw/zinc/56/05/85/380560585.db2.gz IWCIOBCGEDFMEX-IRXDYDNUSA-N 2 1 296.499 3.124 20 0 CGADMP C[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000645087800 380576166 /nfs/dbraw/zinc/57/61/66/380576166.db2.gz CXAGNUBFEXFJSY-OAHLLOKOSA-N 2 1 266.473 3.476 20 0 CGADMP c1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000355308517 380636445 /nfs/dbraw/zinc/63/64/45/380636445.db2.gz FFJGGBOIWRPVEO-HDICACEKSA-N 2 1 298.455 3.312 20 0 CGADMP c1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000355308517 380636449 /nfs/dbraw/zinc/63/64/49/380636449.db2.gz FFJGGBOIWRPVEO-HDICACEKSA-N 2 1 298.455 3.312 20 0 CGADMP c1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000355308517 380636452 /nfs/dbraw/zinc/63/64/52/380636452.db2.gz FFJGGBOIWRPVEO-HDICACEKSA-N 2 1 298.455 3.312 20 0 CGADMP c1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000355308517 380636459 /nfs/dbraw/zinc/63/64/59/380636459.db2.gz FFJGGBOIWRPVEO-HDICACEKSA-N 2 1 298.455 3.312 20 0 CGADMP c1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000355308517 380636466 /nfs/dbraw/zinc/63/64/66/380636466.db2.gz FFJGGBOIWRPVEO-HDICACEKSA-N 2 1 298.455 3.312 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201513 380622791 /nfs/dbraw/zinc/62/27/91/380622791.db2.gz BDQRYQOSQXAMHY-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201513 380622793 /nfs/dbraw/zinc/62/27/93/380622793.db2.gz BDQRYQOSQXAMHY-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201513 380622803 /nfs/dbraw/zinc/62/28/03/380622803.db2.gz BDQRYQOSQXAMHY-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000418065611 380699289 /nfs/dbraw/zinc/69/92/89/380699289.db2.gz KDNOSOUVKJZLKM-UFYCRDLUSA-N 2 1 298.474 3.454 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000418128285 380707866 /nfs/dbraw/zinc/70/78/66/380707866.db2.gz SFULSALGZIGWGR-KCQAQPDRSA-N 2 1 284.407 3.052 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421324054 380874701 /nfs/dbraw/zinc/87/47/01/380874701.db2.gz JHLRJUQYRIWQLR-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420298868 380845093 /nfs/dbraw/zinc/84/50/93/380845093.db2.gz IDRDOPYBBNYGGZ-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]CC[NH2+][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000420419840 380851036 /nfs/dbraw/zinc/85/10/36/380851036.db2.gz XWHCCCARDNRFCQ-OALUTQOASA-N 2 1 280.415 3.396 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357666 380851772 /nfs/dbraw/zinc/85/17/72/380851772.db2.gz DUTBTUGJENZNJQ-ZWKOTPCHSA-N 2 1 270.420 3.140 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000356835174 380891445 /nfs/dbraw/zinc/89/14/45/380891445.db2.gz CHIXCNADVMXZQS-HIFRSBDPSA-N 2 1 294.414 3.359 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000356835174 380891448 /nfs/dbraw/zinc/89/14/48/380891448.db2.gz CHIXCNADVMXZQS-HIFRSBDPSA-N 2 1 294.414 3.359 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC1 ZINC000356862475 380905877 /nfs/dbraw/zinc/90/58/77/380905877.db2.gz ZVOHOFXEZZLCQZ-YOEHRIQHSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC1 ZINC000356862475 380905893 /nfs/dbraw/zinc/90/58/93/380905893.db2.gz ZVOHOFXEZZLCQZ-YOEHRIQHSA-N 2 1 258.409 3.039 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000356887537 380920110 /nfs/dbraw/zinc/92/01/10/380920110.db2.gz YRKBACPYVJZIMO-CWRNSKLLSA-N 2 1 275.440 3.167 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421379328 380920980 /nfs/dbraw/zinc/92/09/80/380920980.db2.gz ILQZVFLFYHOQCZ-OAHLLOKOSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2c1C ZINC000334781890 207067375 /nfs/dbraw/zinc/06/73/75/207067375.db2.gz SNTAPBXPDVDSTQ-SJKOYZFVSA-N 2 1 285.435 3.215 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1C ZINC000334884635 207242950 /nfs/dbraw/zinc/24/29/50/207242950.db2.gz KUEHHOPQECMZQN-BLLLJJGKSA-N 2 1 285.435 3.357 20 0 CGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224202435 542289524 /nfs/dbraw/zinc/28/95/24/542289524.db2.gz XRQDPKPKQNRQTP-KBPBESRZSA-N 2 1 254.377 3.181 20 0 CGADMP COC1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000361551240 381798651 /nfs/dbraw/zinc/79/86/51/381798651.db2.gz IQXIMINSXJOZRW-QGZVFWFLSA-N 2 1 294.483 3.286 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc2ncsc2c1 ZINC000362572326 382062917 /nfs/dbraw/zinc/06/29/17/382062917.db2.gz GZXPAKOCDSVBTM-JSGCOSHPSA-N 2 1 289.448 3.431 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCC3(CC3)CC2)CCCC1 ZINC000362921495 382148708 /nfs/dbraw/zinc/14/87/08/382148708.db2.gz FOZJLSWRXYYDNJ-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558032 382313744 /nfs/dbraw/zinc/31/37/44/382313744.db2.gz PMWWDRHATABNKF-BBWFWOEESA-N 2 1 262.441 3.006 20 0 CGADMP Clc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250247895 542342559 /nfs/dbraw/zinc/34/25/59/542342559.db2.gz LQUFJMNVVKQTOY-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250247895 542342560 /nfs/dbraw/zinc/34/25/60/542342560.db2.gz LQUFJMNVVKQTOY-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251080880 542345263 /nfs/dbraw/zinc/34/52/63/542345263.db2.gz GZMBDKNVANECFH-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415521 542349431 /nfs/dbraw/zinc/34/94/31/542349431.db2.gz LFNBXQUEVYINQP-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415554 542349476 /nfs/dbraw/zinc/34/94/76/542349476.db2.gz LRJCWWRIHWOPER-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000394590798 572483947 /nfs/dbraw/zinc/48/39/47/572483947.db2.gz WURMGSLLZOWRFH-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CSc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000280912645 195025678 /nfs/dbraw/zinc/02/56/78/195025678.db2.gz SGUVJXBUOPNUGI-HIFRSBDPSA-N 2 1 278.465 3.023 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)C(C)(C)C)s1 ZINC000353749236 220300720 /nfs/dbraw/zinc/30/07/20/220300720.db2.gz VFAOPNZREPEJJB-UHFFFAOYSA-N 2 1 269.458 3.119 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000353747283 220300785 /nfs/dbraw/zinc/30/07/85/220300785.db2.gz FNNMTLMVIQDFML-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000353747283 220300786 /nfs/dbraw/zinc/30/07/86/220300786.db2.gz FNNMTLMVIQDFML-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000353747283 220300788 /nfs/dbraw/zinc/30/07/88/220300788.db2.gz FNNMTLMVIQDFML-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2sccc2C)C[C@H]1C ZINC000353751942 220305581 /nfs/dbraw/zinc/30/55/81/220305581.db2.gz ZRBCHOVEZXUOKF-KGLIPLIRSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2sccc2C)C[C@H]1C ZINC000353751942 220305586 /nfs/dbraw/zinc/30/55/86/220305586.db2.gz ZRBCHOVEZXUOKF-KGLIPLIRSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sccc2C)C[C@H]1C ZINC000353751942 220305588 /nfs/dbraw/zinc/30/55/88/220305588.db2.gz ZRBCHOVEZXUOKF-KGLIPLIRSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+](Cc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435381160 285117934 /nfs/dbraw/zinc/11/79/34/285117934.db2.gz RVKRKAOHUOLNGT-CQSZACIVSA-N 2 1 266.816 3.304 20 0 CGADMP CC[N@@H+](Cc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435381160 285117935 /nfs/dbraw/zinc/11/79/35/285117935.db2.gz RVKRKAOHUOLNGT-CQSZACIVSA-N 2 1 266.816 3.304 20 0 CGADMP Cc1ccncc1CCC[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000289341333 197303356 /nfs/dbraw/zinc/30/33/56/197303356.db2.gz WDOBTNKVGCSGIV-KRWDZBQOSA-N 2 1 289.467 3.177 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000281148687 195123669 /nfs/dbraw/zinc/12/36/69/195123669.db2.gz BFACTSRBCGBLCX-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc2ccccc2c1 ZINC000281148687 195123671 /nfs/dbraw/zinc/12/36/71/195123671.db2.gz BFACTSRBCGBLCX-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000289209858 197264106 /nfs/dbraw/zinc/26/41/06/197264106.db2.gz IMHGMGKFFKZHQQ-DOTOQJQBSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000289209858 197264108 /nfs/dbraw/zinc/26/41/08/197264108.db2.gz IMHGMGKFFKZHQQ-DOTOQJQBSA-N 2 1 289.467 3.033 20 0 CGADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000446759117 285235144 /nfs/dbraw/zinc/23/51/44/285235144.db2.gz NMRLBDKWOAZIKO-FUHWJXTLSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000281247927 195166726 /nfs/dbraw/zinc/16/67/26/195166726.db2.gz NSLIGLQLSKUHQJ-RDJZCZTQSA-N 2 1 287.451 3.100 20 0 CGADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000483265590 533363927 /nfs/dbraw/zinc/36/39/27/533363927.db2.gz UHCWTXVDLIRUFN-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H]1CCCC[C@H]1C ZINC000423191648 533385644 /nfs/dbraw/zinc/38/56/44/533385644.db2.gz TXBOTKZRTBVGKQ-NUJGCVRESA-N 2 1 289.467 3.366 20 0 CGADMP CSC1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000368218212 533483684 /nfs/dbraw/zinc/48/36/84/533483684.db2.gz WGXJLVLJIRYXIL-HNNXBMFYSA-N 2 1 282.497 3.080 20 0 CGADMP C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000378894495 542593132 /nfs/dbraw/zinc/59/31/32/542593132.db2.gz BFMCRHMQIGPENE-PMPSAXMXSA-N 2 1 250.430 3.031 20 0 CGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000414209285 542635244 /nfs/dbraw/zinc/63/52/44/542635244.db2.gz MZLQLFPMXWZWIE-CGTJXYLNSA-N 2 1 290.451 3.084 20 0 CGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000414209285 542635245 /nfs/dbraw/zinc/63/52/45/542635245.db2.gz MZLQLFPMXWZWIE-CGTJXYLNSA-N 2 1 290.451 3.084 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000054241180 392090218 /nfs/dbraw/zinc/09/02/18/392090218.db2.gz HEEZPRQRBRSBDB-SWLSCSKDSA-N 2 1 294.439 3.294 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000054241180 392090223 /nfs/dbraw/zinc/09/02/23/392090223.db2.gz HEEZPRQRBRSBDB-SWLSCSKDSA-N 2 1 294.439 3.294 20 0 CGADMP COCC1(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000361333997 392278231 /nfs/dbraw/zinc/27/82/31/392278231.db2.gz DCKPDPVMGNSBBK-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000434778804 542656641 /nfs/dbraw/zinc/65/66/41/542656641.db2.gz VKRRQBVDFWXIEQ-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP CC1(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCC1 ZINC000434778804 542656646 /nfs/dbraw/zinc/65/66/46/542656646.db2.gz VKRRQBVDFWXIEQ-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1(CCOC)CCCCC1 ZINC000436232679 542658051 /nfs/dbraw/zinc/65/80/51/542658051.db2.gz PPWOTQYZXPGUOK-MRXNPFEDSA-N 2 1 284.488 3.293 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000453392839 542682400 /nfs/dbraw/zinc/68/24/00/542682400.db2.gz URLXXVCVESELBD-CADBVGFASA-N 2 1 284.447 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000453392839 542682402 /nfs/dbraw/zinc/68/24/02/542682402.db2.gz URLXXVCVESELBD-CADBVGFASA-N 2 1 284.447 3.458 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCOCc2ccccc2)CC1 ZINC000286871669 392389144 /nfs/dbraw/zinc/38/91/44/392389144.db2.gz BUVARJNTUSVRKE-INIZCTEOSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1Cl ZINC000119449132 392396289 /nfs/dbraw/zinc/39/62/89/392396289.db2.gz OLEVKTBAXHEHKN-XJKCOSOUSA-N 2 1 280.843 3.201 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(C)cc1 ZINC000153733016 392528399 /nfs/dbraw/zinc/52/83/99/392528399.db2.gz AICFRWPHCUEZIE-KRWDZBQOSA-N 2 1 278.440 3.004 20 0 CGADMP Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000302446184 392615408 /nfs/dbraw/zinc/61/54/08/392615408.db2.gz MYMJUPGNTMGNNU-OAHLLOKOSA-N 2 1 269.392 3.322 20 0 CGADMP CC(C)C(C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C(C)C ZINC000302619596 392617683 /nfs/dbraw/zinc/61/76/83/392617683.db2.gz ZSTAHGSMYWKIKP-OAHLLOKOSA-N 2 1 254.462 3.235 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000162430977 392595945 /nfs/dbraw/zinc/59/59/45/392595945.db2.gz PXSLEKVSHQHCID-CQSZACIVSA-N 2 1 272.396 3.060 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000162430977 392595948 /nfs/dbraw/zinc/59/59/48/392595948.db2.gz PXSLEKVSHQHCID-CQSZACIVSA-N 2 1 272.396 3.060 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000156194086 392546482 /nfs/dbraw/zinc/54/64/82/392546482.db2.gz WMPOLWNSZSKILJ-HLLBOEOZSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000156194086 392546486 /nfs/dbraw/zinc/54/64/86/392546486.db2.gz WMPOLWNSZSKILJ-HLLBOEOZSA-N 2 1 260.425 3.437 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1[NH3+] ZINC000157544043 392550452 /nfs/dbraw/zinc/55/04/52/392550452.db2.gz ZXIHHGNZUXLADT-ABAIWWIYSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1[NH3+] ZINC000157544043 392550454 /nfs/dbraw/zinc/55/04/54/392550454.db2.gz ZXIHHGNZUXLADT-ABAIWWIYSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000178040096 392670157 /nfs/dbraw/zinc/67/01/57/392670157.db2.gz VZRYPVDUXWITHF-ZNMIVQPWSA-N 2 1 296.480 3.288 20 0 CGADMP C[C@@H]1SCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000178974354 392685291 /nfs/dbraw/zinc/68/52/91/392685291.db2.gz BSMCORQUGSZHNB-YOEHRIQHSA-N 2 1 290.476 3.165 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000375051857 392731285 /nfs/dbraw/zinc/73/12/85/392731285.db2.gz XKJRIXAPONUWOI-CNCYXEHGSA-N 2 1 286.463 3.425 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480168 392734601 /nfs/dbraw/zinc/73/46/01/392734601.db2.gz DHYJAHFTMMIUDV-FUHWJXTLSA-N 2 1 295.430 3.199 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)ccc2cn1 ZINC000647479762 392734833 /nfs/dbraw/zinc/73/48/33/392734833.db2.gz TTXFDCJGXIPQSN-OALUTQOASA-N 2 1 295.430 3.199 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647497784 392740683 /nfs/dbraw/zinc/74/06/83/392740683.db2.gz VEDXBWCWXKRPJS-XJKSGUPXSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647497784 392740686 /nfs/dbraw/zinc/74/06/86/392740686.db2.gz VEDXBWCWXKRPJS-XJKSGUPXSA-N 2 1 280.843 3.462 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(Cl)c(C)c2)CC[C@H]1[NH3+] ZINC000647498670 392742970 /nfs/dbraw/zinc/74/29/70/392742970.db2.gz MLDXVSVZVJEDGT-UKRRQHHQSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C)c2)CC[C@H]1[NH3+] ZINC000647498670 392742973 /nfs/dbraw/zinc/74/29/73/392742973.db2.gz MLDXVSVZVJEDGT-UKRRQHHQSA-N 2 1 266.816 3.208 20 0 CGADMP Fc1ccc2oc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000647536969 392755724 /nfs/dbraw/zinc/75/57/24/392755724.db2.gz REPDHFRNMBTODM-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2oc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000647536969 392755731 /nfs/dbraw/zinc/75/57/31/392755731.db2.gz REPDHFRNMBTODM-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543640 392760344 /nfs/dbraw/zinc/76/03/44/392760344.db2.gz QTJYAZQHMQKHPF-KHMSUIGKSA-N 2 1 284.447 3.411 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937055 392837841 /nfs/dbraw/zinc/83/78/41/392837841.db2.gz QDESKBPWIVNOLR-ZBFHGGJFSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647875487 392820824 /nfs/dbraw/zinc/82/08/24/392820824.db2.gz DSMNISVGJRTESI-NEPJUHHUSA-N 2 1 286.341 3.308 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647876339 392820997 /nfs/dbraw/zinc/82/09/97/392820997.db2.gz WIPGIFYDFZSQDE-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647889331 392827492 /nfs/dbraw/zinc/82/74/92/392827492.db2.gz HXYWCFRNLUMWBX-RYQLBKOJSA-N 2 1 272.436 3.172 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647902929 392828757 /nfs/dbraw/zinc/82/87/57/392828757.db2.gz DPQCAEZVTDWYJT-FUHWJXTLSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)s1 ZINC000382583758 392920567 /nfs/dbraw/zinc/92/05/67/392920567.db2.gz PQCLFAAIHFNIIR-SECBINFHSA-N 2 1 258.818 3.194 20 0 CGADMP Cc1ccc(CCC[N@@H+]2C[C@H](C)OC3(CCCC3)C2)cn1 ZINC000648077564 392907372 /nfs/dbraw/zinc/90/73/72/392907372.db2.gz XYCAVOJITAGWGP-INIZCTEOSA-N 2 1 288.435 3.356 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCCC1 ZINC000513696581 392853383 /nfs/dbraw/zinc/85/33/83/392853383.db2.gz AWWZNZREGLWAHQ-ARFHVFGLSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000519643397 392877175 /nfs/dbraw/zinc/87/71/75/392877175.db2.gz DKETZIIYCSJQEF-HNNXBMFYSA-N 2 1 263.429 3.253 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000519643397 392877179 /nfs/dbraw/zinc/87/71/79/392877179.db2.gz DKETZIIYCSJQEF-HNNXBMFYSA-N 2 1 263.429 3.253 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000392218077 392930193 /nfs/dbraw/zinc/93/01/93/392930193.db2.gz WPTYEJLICPVNGN-OAHLLOKOSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](C2CC2)C1)[NH+]1CC[C@@H](C2CC2)C1 ZINC000491242813 542717112 /nfs/dbraw/zinc/71/71/12/542717112.db2.gz IWDRQSHIJIVOBA-ZTFGCOKTSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H](C2CC2)C1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491242813 542717116 /nfs/dbraw/zinc/71/71/16/542717116.db2.gz IWDRQSHIJIVOBA-ZTFGCOKTSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H](C2CC2)C1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491242813 542717121 /nfs/dbraw/zinc/71/71/21/542717121.db2.gz IWDRQSHIJIVOBA-ZTFGCOKTSA-N 2 1 276.468 3.229 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000514084498 542734024 /nfs/dbraw/zinc/73/40/24/542734024.db2.gz QEWQUKQUDYKNMT-RTBURBONSA-N 2 1 286.463 3.459 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000514084498 542734028 /nfs/dbraw/zinc/73/40/28/542734028.db2.gz QEWQUKQUDYKNMT-RTBURBONSA-N 2 1 286.463 3.459 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000525869796 542740540 /nfs/dbraw/zinc/74/05/40/542740540.db2.gz YONDZOLVGXMPRT-KGLIPLIRSA-N 2 1 266.404 3.249 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459724963 392952028 /nfs/dbraw/zinc/95/20/28/392952028.db2.gz AVFRLAYVRBGRLM-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340471329 392973646 /nfs/dbraw/zinc/97/36/46/392973646.db2.gz VAXXHEGQZBRGDP-MHORFTMASA-N 2 1 296.499 3.292 20 0 CGADMP COCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340214323 392967603 /nfs/dbraw/zinc/96/76/03/392967603.db2.gz UVVOTQSLGGPKAU-MSOLQXFVSA-N 2 1 290.451 3.228 20 0 CGADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340214323 392967611 /nfs/dbraw/zinc/96/76/11/392967611.db2.gz UVVOTQSLGGPKAU-MSOLQXFVSA-N 2 1 290.451 3.228 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340253306 392968819 /nfs/dbraw/zinc/96/88/19/392968819.db2.gz FFOFMMCGIPNZIZ-KGLIPLIRSA-N 2 1 286.341 3.364 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340253306 392968822 /nfs/dbraw/zinc/96/88/22/392968822.db2.gz FFOFMMCGIPNZIZ-KGLIPLIRSA-N 2 1 286.341 3.364 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648429278 393012694 /nfs/dbraw/zinc/01/26/94/393012694.db2.gz KCZSJCZLDAGZSJ-SFHVURJKSA-N 2 1 283.419 3.119 20 0 CGADMP C[NH+]1CCC([NH2+]CC(C)(C)C2=CCCCC2)CC1 ZINC000466363404 393024601 /nfs/dbraw/zinc/02/46/01/393024601.db2.gz VSQADULUIULXLF-UHFFFAOYSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)[C@H]1C[NH3+] ZINC000346997175 393097986 /nfs/dbraw/zinc/09/79/86/393097986.db2.gz CKSISBVERXPLIP-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@H]1C[NH3+] ZINC000346997175 393097993 /nfs/dbraw/zinc/09/79/93/393097993.db2.gz CKSISBVERXPLIP-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C)[C@H](C)C1 ZINC000467432864 393100381 /nfs/dbraw/zinc/10/03/81/393100381.db2.gz FZNBKMXECNUSQI-MHORFTMASA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415043735 393109666 /nfs/dbraw/zinc/10/96/66/393109666.db2.gz BCPNTKVBFIAUGB-QGZVFWFLSA-N 2 1 276.424 3.081 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000414654634 393050913 /nfs/dbraw/zinc/05/09/13/393050913.db2.gz GHUUIQXYSQWGED-VDHUWJSZSA-N 2 1 272.436 3.166 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778507 393053961 /nfs/dbraw/zinc/05/39/61/393053961.db2.gz IYLHTZICZOTSRO-HUUCEWRRSA-N 2 1 278.827 3.162 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000415038232 393106982 /nfs/dbraw/zinc/10/69/82/393106982.db2.gz HUESOZKICWXJNL-ZWKOTPCHSA-N 2 1 272.436 3.267 20 0 CGADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414979992 393077634 /nfs/dbraw/zinc/07/76/34/393077634.db2.gz VWWDDPNOPFKRCR-HZPDHXFCSA-N 2 1 296.405 3.375 20 0 CGADMP Clc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052238 393115250 /nfs/dbraw/zinc/11/52/50/393115250.db2.gz MVUWBNHXNMKNPJ-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052238 393115255 /nfs/dbraw/zinc/11/52/55/393115255.db2.gz MVUWBNHXNMKNPJ-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415062702 393122290 /nfs/dbraw/zinc/12/22/90/393122290.db2.gz FUIPGHREUXPPHM-DYVFJYSZSA-N 2 1 278.415 3.254 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415066900 393126456 /nfs/dbraw/zinc/12/64/56/393126456.db2.gz ONYLMDOTCYCJHU-INIZCTEOSA-N 2 1 272.392 3.348 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C[C@@H]1c1ccccc1 ZINC000415069785 393128530 /nfs/dbraw/zinc/12/85/30/393128530.db2.gz UAUPVUDLNMIKID-RUGDWHBFSA-N 2 1 272.436 3.286 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415072341 393130112 /nfs/dbraw/zinc/13/01/12/393130112.db2.gz XWMJZXVICALDFR-KDOFPFPSSA-N 2 1 290.451 3.123 20 0 CGADMP CC(C)CCOc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415075752 393132460 /nfs/dbraw/zinc/13/24/60/393132460.db2.gz AAKBCBTUPHDPFA-MRXNPFEDSA-N 2 1 290.451 3.201 20 0 CGADMP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415083343 393136188 /nfs/dbraw/zinc/13/61/88/393136188.db2.gz PUDYRELFTZSBQY-BZSNNMDCSA-N 2 1 272.436 3.130 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415123220 393151147 /nfs/dbraw/zinc/15/11/47/393151147.db2.gz JFZITDIORJSUBL-KBPBESRZSA-N 2 1 286.419 3.412 20 0 CGADMP C[C@]1(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CC[NH2+]C1 ZINC000415124122 393151520 /nfs/dbraw/zinc/15/15/20/393151520.db2.gz NXLDSDJAFLQTNJ-ROUUACIJSA-N 2 1 284.447 3.256 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468550760 393152124 /nfs/dbraw/zinc/15/21/24/393152124.db2.gz AXQCTCNOTLPZFV-CKEIUWERSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468550760 393152131 /nfs/dbraw/zinc/15/21/31/393152131.db2.gz AXQCTCNOTLPZFV-CKEIUWERSA-N 2 1 278.415 3.219 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1C1CCC1 ZINC000646138372 393224640 /nfs/dbraw/zinc/22/46/40/393224640.db2.gz FEWZJDGYFKCXTJ-CVEARBPZSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646138372 393224645 /nfs/dbraw/zinc/22/46/45/393224645.db2.gz FEWZJDGYFKCXTJ-CVEARBPZSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000646138372 393224651 /nfs/dbraw/zinc/22/46/51/393224651.db2.gz FEWZJDGYFKCXTJ-CVEARBPZSA-N 2 1 250.430 3.125 20 0 CGADMP CC1CCC(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000353822495 393233010 /nfs/dbraw/zinc/23/30/10/393233010.db2.gz WWZBVBUTYHDFJG-OFLPRAFFSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H](CF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000646215132 393241531 /nfs/dbraw/zinc/24/15/31/393241531.db2.gz CSKXFMUHEJIAEO-LNRIEFBSSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@@H](CF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000646215132 393241535 /nfs/dbraw/zinc/24/15/35/393241535.db2.gz CSKXFMUHEJIAEO-LNRIEFBSSA-N 2 1 276.399 3.130 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000271197487 393245703 /nfs/dbraw/zinc/24/57/03/393245703.db2.gz URCGPRZOVQDBQC-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000271197487 393245710 /nfs/dbraw/zinc/24/57/10/393245710.db2.gz URCGPRZOVQDBQC-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCC2 ZINC000271862120 393256001 /nfs/dbraw/zinc/25/60/01/393256001.db2.gz KOKMXHDYZNAYJP-SFHVURJKSA-N 2 1 270.420 3.224 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277305597 393307887 /nfs/dbraw/zinc/30/78/87/393307887.db2.gz UJLFENLQMCEMHN-WBVHZDCISA-N 2 1 260.425 3.206 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000648868941 393278441 /nfs/dbraw/zinc/27/84/41/393278441.db2.gz HCLQUYZDWAWNJN-ZDUSSCGKSA-N 2 1 266.454 3.143 20 0 CGADMP c1cc2[nH+]ccc(NCCC[NH2+]Cc3cccnc3)c2s1 ZINC000420191126 393434560 /nfs/dbraw/zinc/43/45/60/393434560.db2.gz WWBQQVPPQDNEGV-UHFFFAOYSA-N 2 1 298.415 3.283 20 0 CGADMP C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000420393556 393482039 /nfs/dbraw/zinc/48/20/39/393482039.db2.gz JXDGIOGPQNOIBJ-ZWKOTPCHSA-N 2 1 294.483 3.047 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000420295012 393451785 /nfs/dbraw/zinc/45/17/85/393451785.db2.gz BTUAUXZEDJPADF-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP Fc1cccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420295827 393452113 /nfs/dbraw/zinc/45/21/13/393452113.db2.gz AXHHVJQMTDTBEZ-MAUKXSAKSA-N 2 1 290.426 3.222 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420298171 393452991 /nfs/dbraw/zinc/45/29/91/393452991.db2.gz GYBZYBFIZGANBL-NVXWUHKLSA-N 2 1 290.451 3.250 20 0 CGADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420298356 393453755 /nfs/dbraw/zinc/45/37/55/393453755.db2.gz FBHJEPOTJSPZNH-AWEZNQCLSA-N 2 1 264.388 3.036 20 0 CGADMP CCOc1ccc(CCC2CC[NH+](C[C@H](C)[NH3+])CC2)cc1 ZINC000420295897 393454104 /nfs/dbraw/zinc/45/41/04/393454104.db2.gz BCURWEPOJCIHTR-HNNXBMFYSA-N 2 1 290.451 3.077 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420390964 393482714 /nfs/dbraw/zinc/48/27/14/393482714.db2.gz ICKBUYUMSAMDGD-SJLPKXTDSA-N 2 1 272.436 3.267 20 0 CGADMP c1ccc(C[C@H]2CCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420309082 393458839 /nfs/dbraw/zinc/45/88/39/393458839.db2.gz SXVIXZQOOMVSDL-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP Fc1ccc([C@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420310452 393458892 /nfs/dbraw/zinc/45/88/92/393458892.db2.gz UZKHJCBWESGHNP-RHSMWYFYSA-N 2 1 276.399 3.352 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000420310360 393458948 /nfs/dbraw/zinc/45/89/48/393458948.db2.gz PRJOICBYTWPSLS-OCCSQVGLSA-N 2 1 296.842 3.296 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000420310360 393458949 /nfs/dbraw/zinc/45/89/49/393458949.db2.gz PRJOICBYTWPSLS-OCCSQVGLSA-N 2 1 296.842 3.296 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000420310359 393459403 /nfs/dbraw/zinc/45/94/03/393459403.db2.gz PRJOICBYTWPSLS-JSGCOSHPSA-N 2 1 296.842 3.296 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000420310359 393459407 /nfs/dbraw/zinc/45/94/07/393459407.db2.gz PRJOICBYTWPSLS-JSGCOSHPSA-N 2 1 296.842 3.296 20 0 CGADMP COCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000420318788 393462823 /nfs/dbraw/zinc/46/28/23/393462823.db2.gz OXCAFZJMRZDDAQ-DLBZAZTESA-N 2 1 290.451 3.086 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CC[C@H]2CC[NH2+]C2)s1 ZINC000420316818 393463752 /nfs/dbraw/zinc/46/37/52/393463752.db2.gz MJOFPHIOCWGNGZ-QWHCGFSZSA-N 2 1 281.469 3.006 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319851 393465003 /nfs/dbraw/zinc/46/50/03/393465003.db2.gz APOVARYJEZVPAO-KBMXLJTQSA-N 2 1 276.399 3.208 20 0 CGADMP c1ccc(C[C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420321269 393465704 /nfs/dbraw/zinc/46/57/04/393465704.db2.gz RBIVYNLXXIMEFD-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CC[C@H]2CC[NH2+]C2)c(C)c1 ZINC000420322094 393466311 /nfs/dbraw/zinc/46/63/11/393466311.db2.gz RWYBJOUYMUGBPO-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420335038 393470289 /nfs/dbraw/zinc/47/02/89/393470289.db2.gz USYUPXQXHUSINK-IAGOWNOFSA-N 2 1 290.426 3.080 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334230 393470838 /nfs/dbraw/zinc/47/08/38/393470838.db2.gz UASLQVUTELOOCP-HOTGVXAUSA-N 2 1 294.389 3.446 20 0 CGADMP Cc1cc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c2ccccc2n1 ZINC000420366271 393476700 /nfs/dbraw/zinc/47/67/00/393476700.db2.gz LZUACFALTHDUQR-WPKBUWHJSA-N 2 1 283.419 3.019 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2C[C@H]2C)cc1F ZINC000488432689 393510919 /nfs/dbraw/zinc/51/09/19/393510919.db2.gz HAEUVDMYIZHXRC-RISCZKNCSA-N 2 1 273.355 3.065 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2c1C ZINC000430113037 393525566 /nfs/dbraw/zinc/52/55/66/393525566.db2.gz GZZOMVACWVCBKX-LJQANCHMSA-N 2 1 297.446 3.312 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc2c1C ZINC000430113037 393525571 /nfs/dbraw/zinc/52/55/71/393525571.db2.gz GZZOMVACWVCBKX-LJQANCHMSA-N 2 1 297.446 3.312 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c1C ZINC000430113037 393525574 /nfs/dbraw/zinc/52/55/74/393525574.db2.gz GZZOMVACWVCBKX-LJQANCHMSA-N 2 1 297.446 3.312 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c1C ZINC000430113037 393525577 /nfs/dbraw/zinc/52/55/77/393525577.db2.gz GZZOMVACWVCBKX-LJQANCHMSA-N 2 1 297.446 3.312 20 0 CGADMP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000037108043 292017620 /nfs/dbraw/zinc/01/76/20/292017620.db2.gz TZEUYGBRYUVTSJ-OAHLLOKOSA-N 2 1 276.424 3.285 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C2CC2)C2CCCCC2)CC[NH2+]1 ZINC000666621448 542802953 /nfs/dbraw/zinc/80/29/53/542802953.db2.gz VSPBEVNUKOIBSI-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666770345 542814426 /nfs/dbraw/zinc/81/44/26/542814426.db2.gz VVORZKNXOQXMQC-IKGGRYGDSA-N 2 1 258.409 3.054 20 0 CGADMP c1ccc(CSCC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000430750893 393593208 /nfs/dbraw/zinc/59/32/08/393593208.db2.gz QIJOBTIAPUDDBG-DLBZAZTESA-N 2 1 290.476 3.136 20 0 CGADMP c1ccc(CSCC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000430750893 393593211 /nfs/dbraw/zinc/59/32/11/393593211.db2.gz QIJOBTIAPUDDBG-DLBZAZTESA-N 2 1 290.476 3.136 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2(C)CCCCCC2)CCCO1 ZINC000432362835 393605843 /nfs/dbraw/zinc/60/58/43/393605843.db2.gz PLSUVQRAARCEQP-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP C[C@](C[NH3+])([NH2+]Cc1cc(Cl)cc2cccnc21)C1CC1 ZINC000430595803 393579817 /nfs/dbraw/zinc/57/98/17/393579817.db2.gz YRMWHFXVZVDERL-MRXNPFEDSA-N 2 1 289.810 3.105 20 0 CGADMP Cc1ccc(SCC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1C ZINC000430667411 393584042 /nfs/dbraw/zinc/58/40/42/393584042.db2.gz PPSGRSJFDJIFCT-HNNXBMFYSA-N 2 1 278.465 3.066 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432415404 393610856 /nfs/dbraw/zinc/61/08/56/393610856.db2.gz CGGREPFDSPUUBV-KZNAEPCWSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432415404 393610858 /nfs/dbraw/zinc/61/08/58/393610858.db2.gz CGGREPFDSPUUBV-KZNAEPCWSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccsc2)C[C@H]1C ZINC000360966175 393626117 /nfs/dbraw/zinc/62/61/17/393626117.db2.gz OAADRTKMSFGLQE-ZBFHGGJFSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccsc2)C[C@H]1C ZINC000360966175 393626120 /nfs/dbraw/zinc/62/61/20/393626120.db2.gz OAADRTKMSFGLQE-ZBFHGGJFSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccsc2)C[C@H]1C ZINC000360966175 393626122 /nfs/dbraw/zinc/62/61/22/393626122.db2.gz OAADRTKMSFGLQE-ZBFHGGJFSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490040652 393628331 /nfs/dbraw/zinc/62/83/31/393628331.db2.gz QOJDMYPCQTURCF-PKOBYXMFSA-N 2 1 286.463 3.331 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H](C[NH3+])C1CC1 ZINC000423265520 393657092 /nfs/dbraw/zinc/65/70/92/393657092.db2.gz BCNJSINKFXVXTP-DLBZAZTESA-N 2 1 283.419 3.181 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])c2cccc(Br)c21 ZINC000423281492 393659081 /nfs/dbraw/zinc/65/90/81/393659081.db2.gz BJYVTQVEDIBTEC-SKDRFNHKSA-N 2 1 297.240 3.324 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000423302919 393660419 /nfs/dbraw/zinc/66/04/19/393660419.db2.gz WKCQAEIOJKQOJU-SJORKVTESA-N 2 1 262.441 3.361 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423474585 393670055 /nfs/dbraw/zinc/67/00/55/393670055.db2.gz RKWFJSVBUFDIPR-HZMBPMFUSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)c(F)c1 ZINC000423503508 393672296 /nfs/dbraw/zinc/67/22/96/393672296.db2.gz FVWXQEXKUJGZTC-ZUZCIYMTSA-N 2 1 268.351 3.133 20 0 CGADMP Cc1[nH+]c2ccccc2c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000443434970 393757464 /nfs/dbraw/zinc/75/74/64/393757464.db2.gz FPZMMNDKXWIZFC-HOTGVXAUSA-N 2 1 295.430 3.312 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC(C)(C)C2)C1 ZINC000433144572 393690627 /nfs/dbraw/zinc/69/06/27/393690627.db2.gz MZZLWZXINOZMPG-OKILXGFUSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cc2c(c[nH+]1)CCCC2 ZINC000361185622 393697209 /nfs/dbraw/zinc/69/72/09/393697209.db2.gz HKUHCNDIZPLQRL-WWGRRREGSA-N 2 1 273.424 3.101 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cc2c(c[nH+]1)CCCC2 ZINC000361185622 393697213 /nfs/dbraw/zinc/69/72/13/393697213.db2.gz HKUHCNDIZPLQRL-WWGRRREGSA-N 2 1 273.424 3.101 20 0 CGADMP Cc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000443497023 393759968 /nfs/dbraw/zinc/75/99/68/393759968.db2.gz CDUGVTPIWXBBBM-QWHCGFSZSA-N 2 1 287.382 3.211 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000449251730 393876848 /nfs/dbraw/zinc/87/68/48/393876848.db2.gz OUIQAMCBQIQQIA-YCPHGPKFSA-N 2 1 250.430 3.053 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000502685869 393881810 /nfs/dbraw/zinc/88/18/10/393881810.db2.gz KKXNSPAADIIPPY-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000502867822 393885736 /nfs/dbraw/zinc/88/57/36/393885736.db2.gz ORYGZKXERVKWLW-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502867822 393885739 /nfs/dbraw/zinc/88/57/39/393885739.db2.gz ORYGZKXERVKWLW-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000502867822 393885744 /nfs/dbraw/zinc/88/57/44/393885744.db2.gz ORYGZKXERVKWLW-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ccccc1[C@@]1(F)CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000502919173 393887583 /nfs/dbraw/zinc/88/75/83/393887583.db2.gz LSWBEKSDWURMFP-FUHWJXTLSA-N 2 1 290.426 3.350 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000666969015 542830376 /nfs/dbraw/zinc/83/03/76/542830376.db2.gz UOOLTSBMAMMBLQ-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000501421836 393852164 /nfs/dbraw/zinc/85/21/64/393852164.db2.gz JSANLGPEZUYLSV-FNXPSMSCSA-N 2 1 270.420 3.306 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000501421836 393852166 /nfs/dbraw/zinc/85/21/66/393852166.db2.gz JSANLGPEZUYLSV-FNXPSMSCSA-N 2 1 270.420 3.306 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2CCCC2)CC1 ZINC000501765553 393859896 /nfs/dbraw/zinc/85/98/96/393859896.db2.gz MACQYWNZASWPLE-UHFFFAOYSA-N 2 1 296.499 3.247 20 0 CGADMP Cc1ncc(C[N@@H+](Cc2ccccc2)C(C)C)n1C ZINC000667462198 542871001 /nfs/dbraw/zinc/87/10/01/542871001.db2.gz AHRAKEZIAMXNQN-UHFFFAOYSA-N 2 1 257.381 3.139 20 0 CGADMP CCC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000450493420 394005257 /nfs/dbraw/zinc/00/52/57/394005257.db2.gz CHPTWNXRMPSEEK-AEFFLSMTSA-N 2 1 296.499 3.124 20 0 CGADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000450799149 394036540 /nfs/dbraw/zinc/03/65/40/394036540.db2.gz WYLFXSZURUNDDV-BZNIZROVSA-N 2 1 287.794 3.029 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000450799149 394036543 /nfs/dbraw/zinc/03/65/43/394036543.db2.gz WYLFXSZURUNDDV-BZNIZROVSA-N 2 1 287.794 3.029 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccncn1 ZINC000453129057 394181803 /nfs/dbraw/zinc/18/18/03/394181803.db2.gz NIVGPMOEVZXPIQ-YQQAZPJKSA-N 2 1 290.455 3.028 20 0 CGADMP C1CC1[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000453059086 394156297 /nfs/dbraw/zinc/15/62/97/394156297.db2.gz HZBRBRYBIKFULW-ZACQAIPSSA-N 2 1 262.441 3.172 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000453069893 394160027 /nfs/dbraw/zinc/16/00/27/394160027.db2.gz KUUXPURSPCHOSC-HNNXBMFYSA-N 2 1 252.446 3.418 20 0 CGADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000453089008 394167173 /nfs/dbraw/zinc/16/71/73/394167173.db2.gz QNMWPHRRKKQOMK-GUYCJALGSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1ccc(F)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453605006 394256478 /nfs/dbraw/zinc/25/64/78/394256478.db2.gz ZKTSANILMVXBHF-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccncc1 ZINC000453220800 394209969 /nfs/dbraw/zinc/20/99/69/394209969.db2.gz PEDBBMJUGJZOPP-JCYILVPMSA-N 2 1 273.424 3.139 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228740 394212858 /nfs/dbraw/zinc/21/28/58/394212858.db2.gz BYMUYTSMDIHTQV-GOPGUHFVSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228740 394212864 /nfs/dbraw/zinc/21/28/64/394212864.db2.gz BYMUYTSMDIHTQV-GOPGUHFVSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)CC[N@H+]1C ZINC000453247589 394219050 /nfs/dbraw/zinc/21/90/50/394219050.db2.gz KAJLOXWSWKQZOJ-OIISXLGYSA-N 2 1 272.436 3.179 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C3CCC3)CCC2)[C@H](C)C1 ZINC000453388129 394227448 /nfs/dbraw/zinc/22/74/48/394227448.db2.gz FRQMOFSTWYPWSV-GDBMZVCRSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000453396356 394231774 /nfs/dbraw/zinc/23/17/74/394231774.db2.gz IKLTXQDBPSZARH-JKSUJKDBSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)COC2 ZINC000453408187 394236775 /nfs/dbraw/zinc/23/67/75/394236775.db2.gz SKHRUSAHHJSNNK-CQSZACIVSA-N 2 1 288.435 3.242 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)ccc1F ZINC000453411375 394238535 /nfs/dbraw/zinc/23/85/35/394238535.db2.gz VLTPLWILXFDSQT-LBPRGKRZSA-N 2 1 282.378 3.490 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453416353 394240189 /nfs/dbraw/zinc/24/01/89/394240189.db2.gz XIFROECGRQNKNZ-ZDUSSCGKSA-N 2 1 264.413 3.367 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc(O)c1Cl)C1CC1 ZINC000453590128 394251216 /nfs/dbraw/zinc/25/12/16/394251216.db2.gz ARVGDXPOAUPZKB-UHFFFAOYSA-N 2 1 282.815 3.010 20 0 CGADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(Cl)c1 ZINC000453599454 394254424 /nfs/dbraw/zinc/25/44/24/394254424.db2.gz RHPGTUQRNOIBHK-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000667569342 542891712 /nfs/dbraw/zinc/89/17/12/542891712.db2.gz IBLURZMKGDTYIR-QGZVFWFLSA-N 2 1 282.391 3.032 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]2C2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000667569342 542891715 /nfs/dbraw/zinc/89/17/15/542891715.db2.gz IBLURZMKGDTYIR-QGZVFWFLSA-N 2 1 282.391 3.032 20 0 CGADMP Cc1nc2c(s1)[C@@H](N(C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667630065 542900625 /nfs/dbraw/zinc/90/06/25/542900625.db2.gz WAPNERPWZDOINO-AWEZNQCLSA-N 2 1 290.436 3.003 20 0 CGADMP Cc1ccc2cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000667705525 542919722 /nfs/dbraw/zinc/91/97/22/542919722.db2.gz FUYQUSKACWIHSJ-LPHOPBHVSA-N 2 1 297.446 3.392 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000668063392 542964720 /nfs/dbraw/zinc/96/47/20/542964720.db2.gz LNKLQEJIBQCSHK-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP CC(C)[C@@H]1C[N@@H+](Cc2ccnn2-c2ccncc2)[C@@H]1C(C)C ZINC000668220070 542991723 /nfs/dbraw/zinc/99/17/23/542991723.db2.gz BVUQLIUKANWYRS-ZWKOTPCHSA-N 2 1 298.434 3.380 20 0 CGADMP CC(C)[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1C(C)C ZINC000668220070 542991726 /nfs/dbraw/zinc/99/17/26/542991726.db2.gz BVUQLIUKANWYRS-ZWKOTPCHSA-N 2 1 298.434 3.380 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000549860881 289057248 /nfs/dbraw/zinc/05/72/48/289057248.db2.gz SVSAOVRMCWONFW-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000549860881 289057252 /nfs/dbraw/zinc/05/72/52/289057252.db2.gz SVSAOVRMCWONFW-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000549860881 289057255 /nfs/dbraw/zinc/05/72/55/289057255.db2.gz SVSAOVRMCWONFW-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@H](C3CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668719576 543050739 /nfs/dbraw/zinc/05/07/39/543050739.db2.gz YRJWYHVPWJVCHG-INIZCTEOSA-N 2 1 296.418 3.279 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H](C3CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668719576 543050741 /nfs/dbraw/zinc/05/07/41/543050741.db2.gz YRJWYHVPWJVCHG-INIZCTEOSA-N 2 1 296.418 3.279 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC000668814751 543065171 /nfs/dbraw/zinc/06/51/71/543065171.db2.gz SWGOOWUTHYOISB-OAHLLOKOSA-N 2 1 284.407 3.054 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670264865 543146974 /nfs/dbraw/zinc/14/69/74/543146974.db2.gz KTWKGJQKIPNZKJ-CABCVRRESA-N 2 1 254.462 3.332 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000670264820 543147063 /nfs/dbraw/zinc/14/70/63/543147063.db2.gz GTFUPHZDEXMXHQ-KKUMJFAQSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000670264820 543147066 /nfs/dbraw/zinc/14/70/66/543147066.db2.gz GTFUPHZDEXMXHQ-KKUMJFAQSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000670264820 543147068 /nfs/dbraw/zinc/14/70/68/543147068.db2.gz GTFUPHZDEXMXHQ-KKUMJFAQSA-N 2 1 254.462 3.331 20 0 CGADMP Cc1ccc(C[N@H+](CC2CC[NH2+]CC2)C(C)C)s1 ZINC000094012233 292098166 /nfs/dbraw/zinc/09/81/66/292098166.db2.gz OFVSIODBYPMZAO-UHFFFAOYSA-N 2 1 266.454 3.267 20 0 CGADMP Clc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916550 397609851 /nfs/dbraw/zinc/60/98/51/397609851.db2.gz LOGQEDAIWOLBDE-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916550 397609853 /nfs/dbraw/zinc/60/98/53/397609853.db2.gz LOGQEDAIWOLBDE-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000552033224 289151898 /nfs/dbraw/zinc/15/18/98/289151898.db2.gz RJKAFMXNJKUKKW-KLHDSHLOSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000552033224 289151900 /nfs/dbraw/zinc/15/19/00/289151900.db2.gz RJKAFMXNJKUKKW-KLHDSHLOSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2c(OC)ccc3ccccc32)CC[C@@H]1[NH3+] ZINC000387608338 397690225 /nfs/dbraw/zinc/69/02/25/397690225.db2.gz XRIAYCHREZGTET-KDOFPFPSSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000650710742 397898888 /nfs/dbraw/zinc/89/88/88/397898888.db2.gz YJUUEPPJSXWESF-GUYCJALGSA-N 2 1 292.854 3.301 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000650711859 397899203 /nfs/dbraw/zinc/89/92/03/397899203.db2.gz GQSQEHVVZVTZLG-FUHWJXTLSA-N 2 1 290.451 3.295 20 0 CGADMP c1ccc2c(c1)CC[C@H](CC[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)N2 ZINC000650761398 397911966 /nfs/dbraw/zinc/91/19/66/397911966.db2.gz ZBLPMCQKNXOPKT-SQNIBIBYSA-N 2 1 299.462 3.020 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000675770720 543363775 /nfs/dbraw/zinc/36/37/75/543363775.db2.gz XYFMGTKPPQEEAH-WBVHZDCISA-N 2 1 274.452 3.427 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCc2ccccc2)[C@H](C)C1 ZINC000675736595 543359190 /nfs/dbraw/zinc/35/91/90/543359190.db2.gz XENIYFYCNFCEPZ-SJLPKXTDSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000675883113 543370013 /nfs/dbraw/zinc/37/00/13/543370013.db2.gz WLLKTKMEYVWPQO-ZFWWWQNUSA-N 2 1 294.464 3.042 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000675883110 543370272 /nfs/dbraw/zinc/37/02/72/543370272.db2.gz WLLKTKMEYVWPQO-HIFRSBDPSA-N 2 1 294.464 3.042 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC000675883478 543370366 /nfs/dbraw/zinc/37/03/66/543370366.db2.gz CGMCIGHVUVXMJE-IKGGRYGDSA-N 2 1 298.515 3.395 20 0 CGADMP CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CC1 ZINC000676412732 543396441 /nfs/dbraw/zinc/39/64/41/543396441.db2.gz AQQQCYCTJUNSQW-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000677239982 543441397 /nfs/dbraw/zinc/44/13/97/543441397.db2.gz CFRGHJGBNJHAQY-KBRIMQKVSA-N 2 1 276.399 3.146 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000678128160 543485559 /nfs/dbraw/zinc/48/55/59/543485559.db2.gz NTKCDBHANLMJTG-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP Cc1ccc(CN(CC[C@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC000678073532 543480898 /nfs/dbraw/zinc/48/08/98/543480898.db2.gz XKBWANYSRWFHJX-CQSZACIVSA-N 2 1 262.397 3.037 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678079823 543482236 /nfs/dbraw/zinc/48/22/36/543482236.db2.gz XBNOAYIRSNMBNC-NVXWUHKLSA-N 2 1 274.408 3.013 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678079823 543482238 /nfs/dbraw/zinc/48/22/38/543482238.db2.gz XBNOAYIRSNMBNC-NVXWUHKLSA-N 2 1 274.408 3.013 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678079823 543482240 /nfs/dbraw/zinc/48/22/40/543482240.db2.gz XBNOAYIRSNMBNC-NVXWUHKLSA-N 2 1 274.408 3.013 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678079822 543482275 /nfs/dbraw/zinc/48/22/75/543482275.db2.gz XBNOAYIRSNMBNC-DOTOQJQBSA-N 2 1 274.408 3.013 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678079822 543482277 /nfs/dbraw/zinc/48/22/77/543482277.db2.gz XBNOAYIRSNMBNC-DOTOQJQBSA-N 2 1 274.408 3.013 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678079822 543482278 /nfs/dbraw/zinc/48/22/78/543482278.db2.gz XBNOAYIRSNMBNC-DOTOQJQBSA-N 2 1 274.408 3.013 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000678277858 543509445 /nfs/dbraw/zinc/50/94/45/543509445.db2.gz PKQGLIUHOMFEOI-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000678277858 543509446 /nfs/dbraw/zinc/50/94/46/543509446.db2.gz PKQGLIUHOMFEOI-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000678277858 543509447 /nfs/dbraw/zinc/50/94/47/543509447.db2.gz PKQGLIUHOMFEOI-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678411692 543521600 /nfs/dbraw/zinc/52/16/00/543521600.db2.gz JENYDYUOQMMFIY-AWEZNQCLSA-N 2 1 263.429 3.081 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000678585539 543538143 /nfs/dbraw/zinc/53/81/43/543538143.db2.gz ZXUUTSOTZZMVCN-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C12CCC2 ZINC000087708921 286279098 /nfs/dbraw/zinc/27/90/98/286279098.db2.gz ZCKOVWKMTYSENB-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP COCC1CCC([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000449058768 292263680 /nfs/dbraw/zinc/26/36/80/292263680.db2.gz LVFZEFCTYNVACJ-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1(CC)CC ZINC000344134236 286398602 /nfs/dbraw/zinc/39/86/02/286398602.db2.gz RRIWGJCSSBWLKZ-LTIDMASMSA-N 2 1 294.483 3.187 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1(CC)CC ZINC000344134236 286398605 /nfs/dbraw/zinc/39/86/05/286398605.db2.gz RRIWGJCSSBWLKZ-LTIDMASMSA-N 2 1 294.483 3.187 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000556235733 289379337 /nfs/dbraw/zinc/37/93/37/289379337.db2.gz GIQIDDHYICIUOE-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000556235733 289379340 /nfs/dbraw/zinc/37/93/40/289379340.db2.gz GIQIDDHYICIUOE-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271875101 292336581 /nfs/dbraw/zinc/33/65/81/292336581.db2.gz NZEWEDKTPVAHRQ-KRWDZBQOSA-N 2 1 286.419 3.060 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000071160976 286992473 /nfs/dbraw/zinc/99/24/73/286992473.db2.gz GRTGBMOEMAFDDB-CZUORRHYSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000071306925 165070197 /nfs/dbraw/zinc/07/01/97/165070197.db2.gz JMNNAPGYHBHOJS-SCVCMEIPSA-N 2 1 272.845 3.220 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000071306925 165070199 /nfs/dbraw/zinc/07/01/99/165070199.db2.gz JMNNAPGYHBHOJS-SCVCMEIPSA-N 2 1 272.845 3.220 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000081095082 165161182 /nfs/dbraw/zinc/16/11/82/165161182.db2.gz KJZFYMPRYZPMMZ-NVXWUHKLSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000081095082 165161185 /nfs/dbraw/zinc/16/11/85/165161185.db2.gz KJZFYMPRYZPMMZ-NVXWUHKLSA-N 2 1 260.425 3.157 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1Cl ZINC000090468971 165234997 /nfs/dbraw/zinc/23/49/97/165234997.db2.gz XEGXUMWIIHOYCX-LALPHHSUSA-N 2 1 296.842 3.167 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1Cl ZINC000090468971 165234999 /nfs/dbraw/zinc/23/49/99/165234999.db2.gz XEGXUMWIIHOYCX-LALPHHSUSA-N 2 1 296.842 3.167 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC000091059778 165253633 /nfs/dbraw/zinc/25/36/33/165253633.db2.gz ZBCBJNOADIMRTG-CYBMUJFWSA-N 2 1 271.408 3.234 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873090 165338242 /nfs/dbraw/zinc/33/82/42/165338242.db2.gz YPSXBODJHROGLY-NSHDSACASA-N 2 1 299.256 3.427 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000094470712 165349266 /nfs/dbraw/zinc/34/92/66/165349266.db2.gz LGGGFHNSQCVBSB-RHSMWYFYSA-N 2 1 290.476 3.135 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000094368416 165350141 /nfs/dbraw/zinc/35/01/41/165350141.db2.gz KDRSYEHGBSUYSQ-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000124617006 287235347 /nfs/dbraw/zinc/23/53/47/287235347.db2.gz LYZOVEABRQQYEC-WMLDXEAASA-N 2 1 260.425 3.197 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000020439331 171203537 /nfs/dbraw/zinc/20/35/37/171203537.db2.gz WFRUYBFZSTXNNJ-ZDUSSCGKSA-N 2 1 264.413 3.421 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000037267131 173077975 /nfs/dbraw/zinc/07/79/75/173077975.db2.gz PCURUXDEIWMAQW-HNNXBMFYSA-N 2 1 266.816 3.475 20 0 CGADMP c1c2ccccc2oc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408362 173184897 /nfs/dbraw/zinc/18/48/97/173184897.db2.gz MMOSYTPNIIFUAV-ZDUSSCGKSA-N 2 1 270.376 3.007 20 0 CGADMP c1c2ccccc2oc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408362 173184898 /nfs/dbraw/zinc/18/48/98/173184898.db2.gz MMOSYTPNIIFUAV-ZDUSSCGKSA-N 2 1 270.376 3.007 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OCCC(C)C)CC1 ZINC000127306472 287284973 /nfs/dbraw/zinc/28/49/73/287284973.db2.gz RNLYODQAJSBEMG-UHFFFAOYSA-N 2 1 293.455 3.109 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000040500788 174296866 /nfs/dbraw/zinc/29/68/66/174296866.db2.gz IYEMBUVSIQVYQI-FUHWJXTLSA-N 2 1 286.463 3.390 20 0 CGADMP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1Cl ZINC000043389761 175033573 /nfs/dbraw/zinc/03/35/73/175033573.db2.gz PQSNYQVKMYFIPT-GFCCVEGCSA-N 2 1 282.790 3.053 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044528001 175192543 /nfs/dbraw/zinc/19/25/43/175192543.db2.gz BIQCICBSRAHNFV-AWEZNQCLSA-N 2 1 284.403 3.019 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000050569187 175517629 /nfs/dbraw/zinc/51/76/29/175517629.db2.gz JDDVJPLPGYDTMI-UHFFFAOYSA-N 2 1 264.388 3.100 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000219380080 416521089 /nfs/dbraw/zinc/52/10/89/416521089.db2.gz ZFBZKWGRPIOCIO-PBHICJAKSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000219380080 416521093 /nfs/dbraw/zinc/52/10/93/416521093.db2.gz ZFBZKWGRPIOCIO-PBHICJAKSA-N 2 1 276.399 3.098 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C3CC3)c1)C2 ZINC000312783618 416534578 /nfs/dbraw/zinc/53/45/78/416534578.db2.gz IAFFMGITOGCKOM-ROUUACIJSA-N 2 1 270.420 3.125 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2coc3ccccc23)[C@H]1CC[NH3+] ZINC000404267810 416551263 /nfs/dbraw/zinc/55/12/63/416551263.db2.gz IPAYQLGLMGSFRW-BBRMVZONSA-N 2 1 272.392 3.382 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)[C@@H]1CC[NH3+] ZINC000404369243 416552666 /nfs/dbraw/zinc/55/26/66/416552666.db2.gz IFOOAHKCLMEYEI-KBXCAEBGSA-N 2 1 283.419 3.184 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000134094589 416516499 /nfs/dbraw/zinc/51/64/99/416516499.db2.gz MOVAJHWARFJCDX-KDOFPFPSSA-N 2 1 268.404 3.399 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CCCCO ZINC000679333282 543620327 /nfs/dbraw/zinc/62/03/27/543620327.db2.gz UCYZDRHWMYYDRR-INIZCTEOSA-N 2 1 292.467 3.168 20 0 CGADMP C/C=C/C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679822938 543662727 /nfs/dbraw/zinc/66/27/27/543662727.db2.gz FOPAYLKTAMTTTI-IHVVCDCBSA-N 2 1 255.365 3.407 20 0 CGADMP C/C=C\C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679822936 543662916 /nfs/dbraw/zinc/66/29/16/543662916.db2.gz FOPAYLKTAMTTTI-DSYXLKISSA-N 2 1 255.365 3.407 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCc2ccccc2C1 ZINC000679819648 543662960 /nfs/dbraw/zinc/66/29/60/543662960.db2.gz KEEXYBDOKWSORG-QGZVFWFLSA-N 2 1 286.463 3.065 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000130341790 287352537 /nfs/dbraw/zinc/35/25/37/287352537.db2.gz PWCKZATXMLCTSG-HRCADAONSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000130341790 287352538 /nfs/dbraw/zinc/35/25/38/287352538.db2.gz PWCKZATXMLCTSG-HRCADAONSA-N 2 1 252.446 3.418 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000682075808 543822805 /nfs/dbraw/zinc/82/28/05/543822805.db2.gz ZQEQSROKMXYEQH-QAPCUYQASA-N 2 1 270.420 3.092 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000683108880 543894986 /nfs/dbraw/zinc/89/49/86/543894986.db2.gz AEOFSGSPVRXWGU-DOTOQJQBSA-N 2 1 287.451 3.276 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000683108883 543895022 /nfs/dbraw/zinc/89/50/22/543895022.db2.gz AEOFSGSPVRXWGU-NVXWUHKLSA-N 2 1 287.451 3.276 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000683898557 543951174 /nfs/dbraw/zinc/95/11/74/543951174.db2.gz MSLWUZFFBBJFQC-UHFFFAOYSA-N 2 1 293.455 3.235 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CCC1 ZINC000684428198 543999773 /nfs/dbraw/zinc/99/97/73/543999773.db2.gz AZNUORMJDZYQEV-UHFFFAOYSA-N 2 1 260.425 3.370 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000685666064 544094081 /nfs/dbraw/zinc/09/40/81/544094081.db2.gz QVIASFADZJAORC-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000685666064 544094083 /nfs/dbraw/zinc/09/40/83/544094083.db2.gz QVIASFADZJAORC-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000685849352 544101991 /nfs/dbraw/zinc/10/19/91/544101991.db2.gz DQAHHDPQABLVJI-PMPSAXMXSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000685849352 544101993 /nfs/dbraw/zinc/10/19/93/544101993.db2.gz DQAHHDPQABLVJI-PMPSAXMXSA-N 2 1 252.446 3.297 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000652222560 418938631 /nfs/dbraw/zinc/93/86/31/418938631.db2.gz RNLDARYKOXQWNX-QGZVFWFLSA-N 2 1 295.446 3.485 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000652222560 418938632 /nfs/dbraw/zinc/93/86/32/418938632.db2.gz RNLDARYKOXQWNX-QGZVFWFLSA-N 2 1 295.446 3.485 20 0 CGADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000652343522 418956658 /nfs/dbraw/zinc/95/66/58/418956658.db2.gz PMSYWVYGOKPYJV-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000652352635 418956979 /nfs/dbraw/zinc/95/69/79/418956979.db2.gz GRTBQPJPNIBVAL-WBAXXEDZSA-N 2 1 288.410 3.264 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362650 418958117 /nfs/dbraw/zinc/95/81/17/418958117.db2.gz MFVSXMUUWZGKDO-XHSDSOJGSA-N 2 1 282.472 3.174 20 0 CGADMP C[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2)CC[N@H+]1C ZINC000653464648 419030657 /nfs/dbraw/zinc/03/06/57/419030657.db2.gz FVGUYJFOORVPMR-BLLLJJGKSA-N 2 1 255.365 3.129 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659956668 419045871 /nfs/dbraw/zinc/04/58/71/419045871.db2.gz LPFGIWPLXBFXHK-HUUCEWRRSA-N 2 1 288.426 3.476 20 0 CGADMP C1=C(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000655754766 419088345 /nfs/dbraw/zinc/08/83/45/419088345.db2.gz HBGQHUSWROMHLS-SFHVURJKSA-N 2 1 292.467 3.110 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1nccc2ccccc21 ZINC000665247148 419090086 /nfs/dbraw/zinc/09/00/86/419090086.db2.gz WNLVEJNDDWJBNW-CYBMUJFWSA-N 2 1 269.392 3.157 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665249435 419092338 /nfs/dbraw/zinc/09/23/38/419092338.db2.gz QGIFZMAGHRZJJB-CQSZACIVSA-N 2 1 276.424 3.396 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258915 419094813 /nfs/dbraw/zinc/09/48/13/419094813.db2.gz OZPBMEFLAOQLKV-NKKGCODLSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)O1 ZINC000665265519 419096545 /nfs/dbraw/zinc/09/65/45/419096545.db2.gz XHHOYBKVNKHPGN-BZZMCLGOSA-N 2 1 288.435 3.027 20 0 CGADMP CC1(C)C[C@]1(C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000665275411 419099784 /nfs/dbraw/zinc/09/97/84/419099784.db2.gz KCOOIUYIIAJWEU-ZOBUZTSGSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277401 419100261 /nfs/dbraw/zinc/10/02/61/419100261.db2.gz AOTPASZQBPKDRQ-IIIMJFFVSA-N 2 1 272.436 3.424 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000665282405 419102697 /nfs/dbraw/zinc/10/26/97/419102697.db2.gz XMRXKHNAXQEOJF-VXGBXAGGSA-N 2 1 286.341 3.054 20 0 CGADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665295649 419108890 /nfs/dbraw/zinc/10/88/90/419108890.db2.gz HEAKIEKGHMBBDC-XFCCUVRLSA-N 2 1 290.451 3.160 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000665298331 419111305 /nfs/dbraw/zinc/11/13/05/419111305.db2.gz UZGNTVXJDKOAAG-LSDHHAIUSA-N 2 1 260.425 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000659982979 419052377 /nfs/dbraw/zinc/05/23/77/419052377.db2.gz ASDNFNQWUGBGMO-GFCCVEGCSA-N 2 1 262.388 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000659982979 419052381 /nfs/dbraw/zinc/05/23/81/419052381.db2.gz ASDNFNQWUGBGMO-GFCCVEGCSA-N 2 1 262.388 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000659983634 419052562 /nfs/dbraw/zinc/05/25/62/419052562.db2.gz RMENURVUWNVEMJ-YNEHKIRRSA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000659983634 419052566 /nfs/dbraw/zinc/05/25/66/419052566.db2.gz RMENURVUWNVEMJ-YNEHKIRRSA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659983634 419052568 /nfs/dbraw/zinc/05/25/68/419052568.db2.gz RMENURVUWNVEMJ-YNEHKIRRSA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000659983634 419052571 /nfs/dbraw/zinc/05/25/71/419052571.db2.gz RMENURVUWNVEMJ-YNEHKIRRSA-N 2 1 262.388 3.082 20 0 CGADMP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000653610734 419059927 /nfs/dbraw/zinc/05/99/27/419059927.db2.gz VGDRLWAALVAFPA-RYUDHWBXSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCc1c[nH+]cn1C ZINC000653610734 419059931 /nfs/dbraw/zinc/05/99/31/419059931.db2.gz VGDRLWAALVAFPA-RYUDHWBXSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655701962 419069517 /nfs/dbraw/zinc/06/95/17/419069517.db2.gz YCEMVZYUMPPIGZ-QAPCUYQASA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(C)(C)C3CC3)C2)C1 ZINC000653705229 419074360 /nfs/dbraw/zinc/07/43/60/419074360.db2.gz YGOUTSFGJRDDSU-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(C)(C)C3CC3)C2)C1 ZINC000653705229 419074364 /nfs/dbraw/zinc/07/43/64/419074364.db2.gz YGOUTSFGJRDDSU-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655730158 419080279 /nfs/dbraw/zinc/08/02/79/419080279.db2.gz HFLJXLMRTYAXTF-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)CC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655730189 419080405 /nfs/dbraw/zinc/08/04/05/419080405.db2.gz IBYAEOCZRXIKMU-QGZVFWFLSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccc(SCC[N@H+]2CCn3cncc3C2)cc1C ZINC000660582087 419166305 /nfs/dbraw/zinc/16/63/05/419166305.db2.gz LADGAJREUXEAER-UHFFFAOYSA-N 2 1 287.432 3.108 20 0 CGADMP Cc1ccc(SCCN2CCn3cncc3C2)cc1C ZINC000660582087 419166309 /nfs/dbraw/zinc/16/63/09/419166309.db2.gz LADGAJREUXEAER-UHFFFAOYSA-N 2 1 287.432 3.108 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC3CC3)C2)cc1 ZINC000656403727 419168964 /nfs/dbraw/zinc/16/89/64/419168964.db2.gz UHBVJIFRXNEYPK-MUGJNUQGSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CC3CC3)C2)cc1 ZINC000656403727 419168967 /nfs/dbraw/zinc/16/89/67/419168967.db2.gz UHBVJIFRXNEYPK-MUGJNUQGSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CC3CC3)C2)cc1 ZINC000656403727 419168969 /nfs/dbraw/zinc/16/89/69/419168969.db2.gz UHBVJIFRXNEYPK-MUGJNUQGSA-N 2 1 296.458 3.239 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654767 419175798 /nfs/dbraw/zinc/17/57/98/419175798.db2.gz CRMBMKGRWDZOOZ-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654767 419175801 /nfs/dbraw/zinc/17/58/01/419175801.db2.gz CRMBMKGRWDZOOZ-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654767 419175806 /nfs/dbraw/zinc/17/58/06/419175806.db2.gz CRMBMKGRWDZOOZ-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655184 419176655 /nfs/dbraw/zinc/17/66/55/419176655.db2.gz LNBFYSGZJQXPLZ-MJGOQNOKSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655184 419176657 /nfs/dbraw/zinc/17/66/57/419176657.db2.gz LNBFYSGZJQXPLZ-MJGOQNOKSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655184 419176661 /nfs/dbraw/zinc/17/66/61/419176661.db2.gz LNBFYSGZJQXPLZ-MJGOQNOKSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656090 419176819 /nfs/dbraw/zinc/17/68/19/419176819.db2.gz PRBUSNYZFPJBAT-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656090 419176821 /nfs/dbraw/zinc/17/68/21/419176821.db2.gz PRBUSNYZFPJBAT-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656090 419176824 /nfs/dbraw/zinc/17/68/24/419176824.db2.gz PRBUSNYZFPJBAT-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660665608 419178793 /nfs/dbraw/zinc/17/87/93/419178793.db2.gz WTRKPFLSQFYTJJ-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC1(C)C ZINC000666093462 419188969 /nfs/dbraw/zinc/18/89/69/419188969.db2.gz GTPZEXKUDHFPOI-DLBZAZTESA-N 2 1 296.499 3.290 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000655942704 419128768 /nfs/dbraw/zinc/12/87/68/419128768.db2.gz XNXMFHUTNUHAAO-CJNGLKHVSA-N 2 1 276.424 3.130 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000655942704 419128770 /nfs/dbraw/zinc/12/87/70/419128770.db2.gz XNXMFHUTNUHAAO-CJNGLKHVSA-N 2 1 276.424 3.130 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000666228276 419199800 /nfs/dbraw/zinc/19/98/00/419199800.db2.gz YENSOMNGXCDTEA-CZUORRHYSA-N 2 1 294.389 3.284 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2C2CC2)C1 ZINC000657182862 419229741 /nfs/dbraw/zinc/22/97/41/419229741.db2.gz SQZZOOBPJKCGNP-HNNXBMFYSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccco2)CC1 ZINC000661164264 419235949 /nfs/dbraw/zinc/23/59/49/419235949.db2.gz STRNYYFZQIIYDQ-INIZCTEOSA-N 2 1 276.424 3.333 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccco2)CC1 ZINC000661164264 419235952 /nfs/dbraw/zinc/23/59/52/419235952.db2.gz STRNYYFZQIIYDQ-INIZCTEOSA-N 2 1 276.424 3.333 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000662106695 419336657 /nfs/dbraw/zinc/33/66/57/419336657.db2.gz GMQUSLMTKVBDCC-ROUUACIJSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000662106695 419336659 /nfs/dbraw/zinc/33/66/59/419336659.db2.gz GMQUSLMTKVBDCC-ROUUACIJSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)C ZINC000662106695 419336662 /nfs/dbraw/zinc/33/66/62/419336662.db2.gz GMQUSLMTKVBDCC-ROUUACIJSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)C ZINC000662106695 419336664 /nfs/dbraw/zinc/33/66/64/419336664.db2.gz GMQUSLMTKVBDCC-ROUUACIJSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000662106696 419336802 /nfs/dbraw/zinc/33/68/02/419336802.db2.gz GMQUSLMTKVBDCC-ZWKOTPCHSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000662106696 419336803 /nfs/dbraw/zinc/33/68/03/419336803.db2.gz GMQUSLMTKVBDCC-ZWKOTPCHSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)C ZINC000662106696 419336805 /nfs/dbraw/zinc/33/68/05/419336805.db2.gz GMQUSLMTKVBDCC-ZWKOTPCHSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)C ZINC000662106696 419336807 /nfs/dbraw/zinc/33/68/07/419336807.db2.gz GMQUSLMTKVBDCC-ZWKOTPCHSA-N 2 1 292.467 3.161 20 0 CGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304165 419388312 /nfs/dbraw/zinc/38/83/12/419388312.db2.gz KVEZWFUWUASINS-WRSVWVKZSA-N 2 1 272.436 3.468 20 0 CGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304165 419388316 /nfs/dbraw/zinc/38/83/16/419388316.db2.gz KVEZWFUWUASINS-WRSVWVKZSA-N 2 1 272.436 3.468 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@H]1CCCSCC1 ZINC000657880020 419400755 /nfs/dbraw/zinc/40/07/55/419400755.db2.gz KIAPDALGCNLUHU-KFWWJZLASA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000662243727 419370363 /nfs/dbraw/zinc/37/03/63/419370363.db2.gz JSJVGDKZJJCEQW-BBRMVZONSA-N 2 1 260.425 3.153 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc2cnccc2o1 ZINC000657823901 419371966 /nfs/dbraw/zinc/37/19/66/419371966.db2.gz LFTCBZRSCKLJLP-CQSZACIVSA-N 2 1 287.407 3.354 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc3ccncc3s2)CC1 ZINC000657824278 419372471 /nfs/dbraw/zinc/37/24/71/419372471.db2.gz FUIZSQHVUWEGNZ-GFCCVEGCSA-N 2 1 289.448 3.431 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245037 419372684 /nfs/dbraw/zinc/37/26/84/419372684.db2.gz HJGOEPOWQSSWBN-SOLBZPMBSA-N 2 1 272.436 3.112 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662275215 419382313 /nfs/dbraw/zinc/38/23/13/419382313.db2.gz VZCWRRPGJKTCPM-GUDVDZBRSA-N 2 1 298.474 3.428 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCSc1cccc(Cl)c1 ZINC000662283298 419384755 /nfs/dbraw/zinc/38/47/55/419384755.db2.gz HEUFZFCHUNRYPV-AAEUAGOBSA-N 2 1 284.856 3.244 20 0 CGADMP C(C[N@H+]1CCCC2(CCCC2)CC1)C1CC[NH2+]CC1 ZINC000662299691 419387347 /nfs/dbraw/zinc/38/73/47/419387347.db2.gz VOCSVFKIGJXUEZ-UHFFFAOYSA-N 2 1 264.457 3.422 20 0 CGADMP C[C@@H]1C[C@@H](C)N(c2cc[nH+]c3ccsc32)C[C@H]1C[NH3+] ZINC000663240227 419526460 /nfs/dbraw/zinc/52/64/60/419526460.db2.gz AEXKKDPLYRPDDX-IJLUTSLNSA-N 2 1 275.421 3.106 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658078575 419548876 /nfs/dbraw/zinc/54/88/76/419548876.db2.gz VUKSPLUMWYEYOJ-MRXNPFEDSA-N 2 1 290.426 3.363 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663345667 419565635 /nfs/dbraw/zinc/56/56/35/419565635.db2.gz NASSBOCGHMOYPI-OAHLLOKOSA-N 2 1 276.424 3.054 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663345667 419565644 /nfs/dbraw/zinc/56/56/44/419565644.db2.gz NASSBOCGHMOYPI-OAHLLOKOSA-N 2 1 276.424 3.054 20 0 CGADMP FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465209 419614609 /nfs/dbraw/zinc/61/46/09/419614609.db2.gz IQCIYYKLEUQKKO-ULQDDVLXSA-N 2 1 282.447 3.226 20 0 CGADMP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463566 419616150 /nfs/dbraw/zinc/61/61/50/419616150.db2.gz ADHDJWQIQUBVOQ-HZPDHXFCSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466245 419617163 /nfs/dbraw/zinc/61/71/63/419617163.db2.gz PWRYRHYQUKRUPP-TZMCWYRMSA-N 2 1 292.389 3.429 20 0 CGADMP C([NH2+][C@H]1CCC12CCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463563 419617282 /nfs/dbraw/zinc/61/72/82/419617282.db2.gz ADHDJWQIQUBVOQ-CVEARBPZSA-N 2 1 262.441 3.031 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCC1 ZINC000663466511 419622795 /nfs/dbraw/zinc/62/27/95/419622795.db2.gz UYAAFGLDXNMZMP-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663471765 419627206 /nfs/dbraw/zinc/62/72/06/419627206.db2.gz XVQHAOKCUVVEHQ-SWLSCSKDSA-N 2 1 293.480 3.224 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663471765 419627219 /nfs/dbraw/zinc/62/72/19/419627219.db2.gz XVQHAOKCUVVEHQ-SWLSCSKDSA-N 2 1 293.480 3.224 20 0 CGADMP FCC1(CF)CC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229601 419690878 /nfs/dbraw/zinc/69/08/78/419690878.db2.gz FLRJFLQPJVWYQE-ZDUSSCGKSA-N 2 1 286.410 3.071 20 0 CGADMP FCC1(CF)CC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229601 419690887 /nfs/dbraw/zinc/69/08/87/419690887.db2.gz FLRJFLQPJVWYQE-ZDUSSCGKSA-N 2 1 286.410 3.071 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000658229366 419691697 /nfs/dbraw/zinc/69/16/97/419691697.db2.gz QYKISKHMRFYGRT-JKSUJKDBSA-N 2 1 294.483 3.331 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000658229366 419691703 /nfs/dbraw/zinc/69/17/03/419691703.db2.gz QYKISKHMRFYGRT-JKSUJKDBSA-N 2 1 294.483 3.331 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000663513190 419642111 /nfs/dbraw/zinc/64/21/11/419642111.db2.gz JMEUAPSVICUJJI-SNVBAGLBSA-N 2 1 275.223 3.124 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H]2CCC[C@H]21 ZINC000658264241 419720417 /nfs/dbraw/zinc/72/04/17/419720417.db2.gz DRVSCQTXFVDTGT-JJCQNKCGSA-N 2 1 298.421 3.417 20 0 CGADMP Cc1ccc2cc[nH+]c(NCC[C@@H](C)[NH+](C)C)c2c1 ZINC000664244523 419864031 /nfs/dbraw/zinc/86/40/31/419864031.db2.gz LEINCXGBKZDPTQ-CYBMUJFWSA-N 2 1 257.381 3.295 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000179443997 260049378 /nfs/dbraw/zinc/04/93/78/260049378.db2.gz FZFOOUFYWVNSSP-HNNXBMFYSA-N 2 1 283.419 3.419 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000179443997 260049379 /nfs/dbraw/zinc/04/93/79/260049379.db2.gz FZFOOUFYWVNSSP-HNNXBMFYSA-N 2 1 283.419 3.419 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000179678440 260062962 /nfs/dbraw/zinc/06/29/62/260062962.db2.gz WGGCNCMMLORAGB-GOSISDBHSA-N 2 1 294.483 3.166 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](C)C2 ZINC000180635499 260107991 /nfs/dbraw/zinc/10/79/91/260107991.db2.gz FGTMPRGMKMMWTO-GZOSKZMVSA-N 2 1 272.436 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](C)C2 ZINC000180635499 260107994 /nfs/dbraw/zinc/10/79/94/260107994.db2.gz FGTMPRGMKMMWTO-GZOSKZMVSA-N 2 1 272.436 3.301 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000045690601 270039081 /nfs/dbraw/zinc/03/90/81/270039081.db2.gz RVWHNZBBURIAPZ-HOTGVXAUSA-N 2 1 262.441 3.328 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000045692214 270039092 /nfs/dbraw/zinc/03/90/92/270039092.db2.gz VSIFEDWOXSPOFV-BZOOQXSSSA-N 2 1 278.415 3.392 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000224111442 270086833 /nfs/dbraw/zinc/08/68/33/270086833.db2.gz RWWNWYMUSKWHND-XYJFISCASA-N 2 1 274.452 3.388 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000224111442 270086834 /nfs/dbraw/zinc/08/68/34/270086834.db2.gz RWWNWYMUSKWHND-XYJFISCASA-N 2 1 274.452 3.388 20 0 CGADMP Cc1occc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000321279301 270093248 /nfs/dbraw/zinc/09/32/48/270093248.db2.gz SOVCDTSNECGFCT-QGZVFWFLSA-N 2 1 284.403 3.200 20 0 CGADMP Cc1occc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000321279301 270093249 /nfs/dbraw/zinc/09/32/49/270093249.db2.gz SOVCDTSNECGFCT-QGZVFWFLSA-N 2 1 284.403 3.200 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCC12CCCC2 ZINC000328313304 270095168 /nfs/dbraw/zinc/09/51/68/270095168.db2.gz XIKFJUFXUHKGAV-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CCS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459447951 270096324 /nfs/dbraw/zinc/09/63/24/270096324.db2.gz VPCSOKMNKORQGQ-HOCLYGCPSA-N 2 1 282.497 3.267 20 0 CGADMP CC(C)C(C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)C(C)C ZINC000519562961 270097616 /nfs/dbraw/zinc/09/76/16/270097616.db2.gz FMOKNNNAWJRQJD-NVXWUHKLSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C(C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C(C)C ZINC000519562961 270097617 /nfs/dbraw/zinc/09/76/17/270097617.db2.gz FMOKNNNAWJRQJD-NVXWUHKLSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C(C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C(C)C ZINC000519562961 270097618 /nfs/dbraw/zinc/09/76/18/270097618.db2.gz FMOKNNNAWJRQJD-NVXWUHKLSA-N 2 1 266.473 3.331 20 0 CGADMP CCCCCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000520229533 270098683 /nfs/dbraw/zinc/09/86/83/270098683.db2.gz VHZVYHUOQHBVIF-UHFFFAOYSA-N 2 1 264.413 3.036 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000525977518 270121342 /nfs/dbraw/zinc/12/13/42/270121342.db2.gz PFQROWIMLGVNBB-LSDHHAIUSA-N 2 1 268.420 3.075 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000527639224 270130421 /nfs/dbraw/zinc/13/04/21/270130421.db2.gz RLVYXZFXKKEYQM-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000527639224 270130422 /nfs/dbraw/zinc/13/04/22/270130422.db2.gz RLVYXZFXKKEYQM-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000527850494 270139792 /nfs/dbraw/zinc/13/97/92/270139792.db2.gz XFEXFEVEVTUYLR-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000527891212 270142189 /nfs/dbraw/zinc/14/21/89/270142189.db2.gz AJCFHFYYGRMAAM-CQSZACIVSA-N 2 1 269.392 3.013 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000527983135 270148193 /nfs/dbraw/zinc/14/81/93/270148193.db2.gz SSZIMPYOEXQQJK-RWMBFGLXSA-N 2 1 276.415 3.376 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529527728 270182572 /nfs/dbraw/zinc/18/25/72/270182572.db2.gz BJULKXUIKLXVCY-QGZVFWFLSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529527728 270182573 /nfs/dbraw/zinc/18/25/73/270182573.db2.gz BJULKXUIKLXVCY-QGZVFWFLSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529527728 270182574 /nfs/dbraw/zinc/18/25/74/270182574.db2.gz BJULKXUIKLXVCY-QGZVFWFLSA-N 2 1 297.446 3.332 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(C)(C)c1ccccc1 ZINC000530218241 270196116 /nfs/dbraw/zinc/19/61/16/270196116.db2.gz IIQSETFXHYWHKR-ZBFHGGJFSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000530413166 270199417 /nfs/dbraw/zinc/19/94/17/270199417.db2.gz BLVCHWQJMKFNCQ-CHWSQXEVSA-N 2 1 291.826 3.398 20 0 CGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCCO2 ZINC000530513272 270200575 /nfs/dbraw/zinc/20/05/75/270200575.db2.gz ZBUZAFIFTXHZBE-KRWDZBQOSA-N 2 1 299.418 3.083 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1Cl ZINC000531962219 270211587 /nfs/dbraw/zinc/21/15/87/270211587.db2.gz ALHKXSYLZWXTQQ-VXGBXAGGSA-N 2 1 284.831 3.339 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000352793604 273753023 /nfs/dbraw/zinc/75/30/23/273753023.db2.gz CGZMHESMUGLWNR-ZNMIVQPWSA-N 2 1 279.403 3.134 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)ccc1Cl)CC[NH2+]CC2 ZINC000424289593 274284338 /nfs/dbraw/zinc/28/43/38/274284338.db2.gz MBUGDRWDEHMIRN-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000127222451 274339154 /nfs/dbraw/zinc/33/91/54/274339154.db2.gz RGHDEHOGKSPFHW-HLLBOEOZSA-N 2 1 272.436 3.037 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCC[NH2+]C1 ZINC000423326431 274650957 /nfs/dbraw/zinc/65/09/57/274650957.db2.gz KMZHUTPNAXKRAN-ZBFHGGJFSA-N 2 1 294.439 3.342 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000279057272 275860902 /nfs/dbraw/zinc/86/09/02/275860902.db2.gz YOHYKIPYGZEHQN-WMLDXEAASA-N 2 1 295.430 3.458 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000251318150 276026305 /nfs/dbraw/zinc/02/63/05/276026305.db2.gz LSXADDZHVBJTMC-CVEARBPZSA-N 2 1 252.446 3.134 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288617 276073156 /nfs/dbraw/zinc/07/31/56/276073156.db2.gz QUWNVETUQYDMMC-HYVNUMGLSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288617 276073157 /nfs/dbraw/zinc/07/31/57/276073157.db2.gz QUWNVETUQYDMMC-HYVNUMGLSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288617 276073158 /nfs/dbraw/zinc/07/31/58/276073158.db2.gz QUWNVETUQYDMMC-HYVNUMGLSA-N 2 1 264.457 3.252 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)[C@H](C)C1 ZINC000414180495 276229418 /nfs/dbraw/zinc/22/94/18/276229418.db2.gz BHMFNXNUDGJPTN-IWCQGFGOSA-N 2 1 264.457 3.133 20 0 CGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000094011643 276252267 /nfs/dbraw/zinc/25/22/67/276252267.db2.gz UIBIKBGJXMORIP-GOSISDBHSA-N 2 1 272.436 3.386 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279733879 276263630 /nfs/dbraw/zinc/26/36/30/276263630.db2.gz NWVYTZHGXTURSU-JZXOWHBKSA-N 2 1 290.451 3.084 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000513960147 276324529 /nfs/dbraw/zinc/32/45/29/276324529.db2.gz AZYFPORLLPEWAL-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000513960147 276324530 /nfs/dbraw/zinc/32/45/30/276324530.db2.gz AZYFPORLLPEWAL-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCC1=CCCCC1)CC2 ZINC000450644442 277042457 /nfs/dbraw/zinc/04/24/57/277042457.db2.gz NDEOBXASACJRLD-UHFFFAOYSA-N 2 1 262.441 3.437 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCC1=CCCCC1)CC2 ZINC000450644442 277042458 /nfs/dbraw/zinc/04/24/58/277042458.db2.gz NDEOBXASACJRLD-UHFFFAOYSA-N 2 1 262.441 3.437 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1Cc2sccc2CC1(C)C ZINC000459590682 277061844 /nfs/dbraw/zinc/06/18/44/277061844.db2.gz YTTKUIKYAFMHPJ-CQSZACIVSA-N 2 1 278.465 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459590682 277061845 /nfs/dbraw/zinc/06/18/45/277061845.db2.gz YTTKUIKYAFMHPJ-CQSZACIVSA-N 2 1 278.465 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1Cc2sccc2CC1(C)C ZINC000459590682 277061846 /nfs/dbraw/zinc/06/18/46/277061846.db2.gz YTTKUIKYAFMHPJ-CQSZACIVSA-N 2 1 278.465 3.369 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177405 277071554 /nfs/dbraw/zinc/07/15/54/277071554.db2.gz PZAWVDLLBZKOQV-HCABJEFNSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177405 277071556 /nfs/dbraw/zinc/07/15/56/277071556.db2.gz PZAWVDLLBZKOQV-HCABJEFNSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177405 277071558 /nfs/dbraw/zinc/07/15/58/277071558.db2.gz PZAWVDLLBZKOQV-HCABJEFNSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177405 277071559 /nfs/dbraw/zinc/07/15/59/277071559.db2.gz PZAWVDLLBZKOQV-HCABJEFNSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000158664113 277083854 /nfs/dbraw/zinc/08/38/54/277083854.db2.gz LAGDVTFDWVCXBQ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000158664113 277083855 /nfs/dbraw/zinc/08/38/55/277083855.db2.gz LAGDVTFDWVCXBQ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000158664113 277083856 /nfs/dbraw/zinc/08/38/56/277083856.db2.gz LAGDVTFDWVCXBQ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000158664113 277083857 /nfs/dbraw/zinc/08/38/57/277083857.db2.gz LAGDVTFDWVCXBQ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3cc(F)ccc32)C1 ZINC000302727233 277156366 /nfs/dbraw/zinc/15/63/66/277156366.db2.gz KGNXSMUHASKFDG-SUMWQHHRSA-N 2 1 299.393 3.294 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3cc(F)ccc32)C1 ZINC000302727233 277156367 /nfs/dbraw/zinc/15/63/67/277156367.db2.gz KGNXSMUHASKFDG-SUMWQHHRSA-N 2 1 299.393 3.294 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414832996 277272916 /nfs/dbraw/zinc/27/29/16/277272916.db2.gz RVUYCGSSVMWYOX-KGLIPLIRSA-N 2 1 286.341 3.151 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190992027 277662738 /nfs/dbraw/zinc/66/27/38/277662738.db2.gz UAFIMNOUQRCBHS-QGZVFWFLSA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414946250 277702255 /nfs/dbraw/zinc/70/22/55/277702255.db2.gz SFWJWNCIRCSPJO-XKQJLSEDSA-N 2 1 276.424 3.047 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2=CCCC2)CC[N@H+]1C ZINC000308752919 278025187 /nfs/dbraw/zinc/02/51/87/278025187.db2.gz DPSZTQKZEWAAPY-UKRRQHHQSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395143208 288006466 /nfs/dbraw/zinc/00/64/66/288006466.db2.gz ISIRASCOVJJMRA-GOEBONIOSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000396713145 288015796 /nfs/dbraw/zinc/01/57/96/288015796.db2.gz MZBBZYNRLXIHFE-IWCVFHTOSA-N 2 1 272.436 3.443 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000397409182 288023353 /nfs/dbraw/zinc/02/33/53/288023353.db2.gz VDQOWMPOPVICLN-UMVBOHGHSA-N 2 1 272.392 3.238 20 0 CGADMP CC1(C)CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340517760 278232097 /nfs/dbraw/zinc/23/20/97/278232097.db2.gz GFOCYRIPDZMYTA-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228472662 278310413 /nfs/dbraw/zinc/31/04/13/278310413.db2.gz YSTFKWFSSWBTEG-WXYCVUISSA-N 2 1 278.827 3.460 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192390745 278324385 /nfs/dbraw/zinc/32/43/85/278324385.db2.gz RAZWQRJOTOOQRD-WFASDCNBSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000089607684 278352002 /nfs/dbraw/zinc/35/20/02/278352002.db2.gz IEGQZQJNWAIBJY-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCC1 ZINC000362367061 278352830 /nfs/dbraw/zinc/35/28/30/278352830.db2.gz YYBFAIWTUYEHMC-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000423325195 288046210 /nfs/dbraw/zinc/04/62/10/288046210.db2.gz BNWTVYXNWKRFEO-RISCZKNCSA-N 2 1 297.240 3.099 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000252126958 278497191 /nfs/dbraw/zinc/49/71/91/278497191.db2.gz LNGWJJLNIBBCPD-NHAGDIPZSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC000151431858 279040261 /nfs/dbraw/zinc/04/02/61/279040261.db2.gz IYKJBAFAYYXXSS-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151431858 279040262 /nfs/dbraw/zinc/04/02/62/279040262.db2.gz IYKJBAFAYYXXSS-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151431858 279040264 /nfs/dbraw/zinc/04/02/64/279040264.db2.gz IYKJBAFAYYXXSS-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000079675988 288102469 /nfs/dbraw/zinc/10/24/69/288102469.db2.gz MDGRTXZFEBZIAF-VNHYZAJKSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000414191976 279117068 /nfs/dbraw/zinc/11/70/68/279117068.db2.gz SQJNDUHNTKHWBY-KBPBESRZSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cn[nH]c1 ZINC000358346837 279456629 /nfs/dbraw/zinc/45/66/29/279456629.db2.gz AXVFAJHINWABNS-JKIFEVAISA-N 2 1 290.455 3.103 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000346505288 288161438 /nfs/dbraw/zinc/16/14/38/288161438.db2.gz XRPYMOINOFTTED-XHSDSOJGSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CC2(F)CC2)CC1)CC1CC1 ZINC000527513902 288174964 /nfs/dbraw/zinc/17/49/64/288174964.db2.gz IJNMXSRJALESIL-UHFFFAOYSA-N 2 1 282.447 3.323 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527664381 288185311 /nfs/dbraw/zinc/18/53/11/288185311.db2.gz DPPZCDDWRAQJHF-RYUDHWBXSA-N 2 1 262.388 3.130 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527681210 288187867 /nfs/dbraw/zinc/18/78/67/288187867.db2.gz MHWVNLBNTCLXCS-FZCLSBEQSA-N 2 1 278.484 3.379 20 0 CGADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCc2ccccc21 ZINC000459475877 280156890 /nfs/dbraw/zinc/15/68/90/280156890.db2.gz YWJXUFQOBHAXFT-HXUWFJFHSA-N 2 1 298.474 3.497 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652729 288211150 /nfs/dbraw/zinc/21/11/50/288211150.db2.gz WHVRNUUBTSMFSZ-AEFFLSMTSA-N 2 1 287.451 3.387 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652729 288211155 /nfs/dbraw/zinc/21/11/55/288211155.db2.gz WHVRNUUBTSMFSZ-AEFFLSMTSA-N 2 1 287.451 3.387 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CCCO2 ZINC000423433460 280629986 /nfs/dbraw/zinc/62/99/86/280629986.db2.gz CJZOHVSQFGYVEF-HEHGZKQESA-N 2 1 276.424 3.349 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C)CC1)CC3 ZINC000156241672 281034965 /nfs/dbraw/zinc/03/49/65/281034965.db2.gz BFPURIQFVNUYFK-OAHLLOKOSA-N 2 1 297.446 3.017 20 0 CGADMP Cc1cccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000163347785 281252956 /nfs/dbraw/zinc/25/29/56/281252956.db2.gz BAWMATYNPSTDES-RDJZCZTQSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000163347785 281252957 /nfs/dbraw/zinc/25/29/57/281252957.db2.gz BAWMATYNPSTDES-RDJZCZTQSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000163347785 281252958 /nfs/dbraw/zinc/25/29/58/281252958.db2.gz BAWMATYNPSTDES-RDJZCZTQSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000163347785 281252959 /nfs/dbraw/zinc/25/29/59/281252959.db2.gz BAWMATYNPSTDES-RDJZCZTQSA-N 2 1 273.424 3.011 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346819583 281281323 /nfs/dbraw/zinc/28/13/23/281281323.db2.gz HPKDLPHSKURJBV-OCCSQVGLSA-N 2 1 264.438 3.057 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249161570 281291296 /nfs/dbraw/zinc/29/12/96/281291296.db2.gz ZXYNMRGACFPDIR-HLLBOEOZSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249161570 281291297 /nfs/dbraw/zinc/29/12/97/281291297.db2.gz ZXYNMRGACFPDIR-HLLBOEOZSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414687479 281366741 /nfs/dbraw/zinc/36/67/41/281366741.db2.gz BVKVYIAKBVJXQN-YESZJQIVSA-N 2 1 272.436 3.172 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000531703911 288341082 /nfs/dbraw/zinc/34/10/82/288341082.db2.gz KDXXJDQGXRUSFN-QGZVFWFLSA-N 2 1 294.483 3.356 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1Cl ZINC000531708293 288341790 /nfs/dbraw/zinc/34/17/90/288341790.db2.gz ZVCXVKPEMSJPQT-LLVKDONJSA-N 2 1 293.798 3.204 20 0 CGADMP CC[C@H](C[NH2+]C[C@@H](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000543446428 288804053 /nfs/dbraw/zinc/80/40/53/288804053.db2.gz HODYKJWAOHNKGN-FUHWJXTLSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000549845499 289056410 /nfs/dbraw/zinc/05/64/10/289056410.db2.gz LTJWAMZQRHKDTH-CABCVRRESA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000552282098 289178472 /nfs/dbraw/zinc/17/84/72/289178472.db2.gz VVBLDPUDFLZGRM-RRFJBIMHSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552282097 289178533 /nfs/dbraw/zinc/17/85/33/289178533.db2.gz VVBLDPUDFLZGRM-RBSFLKMASA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)[NH+]1CCCC1 ZINC000554349724 289273453 /nfs/dbraw/zinc/27/34/53/289273453.db2.gz MZGXKHMEPYWEGN-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555228374 289334392 /nfs/dbraw/zinc/33/43/92/289334392.db2.gz ZCJKZKLNWHXJLH-SRIISGBFSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555228374 289334393 /nfs/dbraw/zinc/33/43/93/289334393.db2.gz ZCJKZKLNWHXJLH-SRIISGBFSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261558236 289435787 /nfs/dbraw/zinc/43/57/87/289435787.db2.gz DBHASMOIZZQGDN-JFUSQASVSA-N 2 1 258.287 3.062 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1COc2ccccc21 ZINC000423003987 290031551 /nfs/dbraw/zinc/03/15/51/290031551.db2.gz NXNWQDHVSSZEJL-PSMGESJCSA-N 2 1 294.398 3.286 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449178668 290052133 /nfs/dbraw/zinc/05/21/33/290052133.db2.gz XXVBZHLNZGQEPP-OWYFMNJBSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449178668 290052135 /nfs/dbraw/zinc/05/21/35/290052135.db2.gz XXVBZHLNZGQEPP-OWYFMNJBSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCC2)[C@H]2CCC[C@H]21 ZINC000453310506 290215449 /nfs/dbraw/zinc/21/54/49/290215449.db2.gz RJNGAGYSPKKCGX-OWCLPIDISA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261594343 290229190 /nfs/dbraw/zinc/22/91/90/290229190.db2.gz NMFHKSIEOGHVNM-ZFVXVEAMSA-N 2 1 282.790 3.209 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261594343 290229192 /nfs/dbraw/zinc/22/91/92/290229192.db2.gz NMFHKSIEOGHVNM-ZFVXVEAMSA-N 2 1 282.790 3.209 20 0 CGADMP COC[C@]1(C[NH2+][C@H](CC(C)C)c2ccccc2)CCC[NH2+]1 ZINC000423410771 293294977 /nfs/dbraw/zinc/29/49/77/293294977.db2.gz AJVSBUQQAFFPPC-QZTJIDSGSA-N 2 1 290.451 3.132 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854325 295363395 /nfs/dbraw/zinc/36/33/95/295363395.db2.gz UWDPKYBXXDGTIC-PBHICJAKSA-N 2 1 290.451 3.123 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCCC[C@H]2c2ccncc2)CC[NH2+]1 ZINC000414679359 297251461 /nfs/dbraw/zinc/25/14/61/297251461.db2.gz ZOSLZHATQUVBEF-RYRKJORJSA-N 2 1 287.451 3.387 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420327269 302150211 /nfs/dbraw/zinc/15/02/11/302150211.db2.gz YBENZHGSOYOTDY-RDJZCZTQSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346852716 302217944 /nfs/dbraw/zinc/21/79/44/302217944.db2.gz XGBZPWUQSCQDKO-DOTOQJQBSA-N 2 1 258.409 3.132 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000420331475 303126037 /nfs/dbraw/zinc/12/60/37/303126037.db2.gz QVGZXWCCPSVJTM-SOUVJXGZSA-N 2 1 286.410 3.133 20 0 CGADMP C(CC1CCCCCC1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000394557131 329120502 /nfs/dbraw/zinc/12/05/02/329120502.db2.gz DBJWOTWGZDLJFI-INIZCTEOSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000388756632 328300313 /nfs/dbraw/zinc/30/03/13/328300313.db2.gz RXJVZUYIFLFTRN-APIJFGDWSA-N 2 1 252.446 3.131 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000563944452 322015969 /nfs/dbraw/zinc/01/59/69/322015969.db2.gz KAPCRVZJIKMDIN-CZUORRHYSA-N 2 1 278.465 3.275 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000564099555 322020619 /nfs/dbraw/zinc/02/06/19/322020619.db2.gz LIWKPTMSGQGLRI-IAGOWNOFSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCCOc1ccccc1 ZINC000564324034 322027138 /nfs/dbraw/zinc/02/71/38/322027138.db2.gz CLKNRMSFIMMZDK-FUHWJXTLSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCCOc1ccccc1 ZINC000564324034 322027140 /nfs/dbraw/zinc/02/71/40/322027140.db2.gz CLKNRMSFIMMZDK-FUHWJXTLSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCCOc1ccccc1 ZINC000564324034 322027142 /nfs/dbraw/zinc/02/71/42/322027142.db2.gz CLKNRMSFIMMZDK-FUHWJXTLSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCCOc1ccccc1 ZINC000564324034 322027144 /nfs/dbraw/zinc/02/71/44/322027144.db2.gz CLKNRMSFIMMZDK-FUHWJXTLSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@H](C[NH2+]CC1Cc2ccccc2C1)[N@@H+]1CCCC[C@@H]1C ZINC000564529352 322033486 /nfs/dbraw/zinc/03/34/86/322033486.db2.gz OMYKIGPDSKNDAB-JKSUJKDBSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@H](C[NH2+]CC1Cc2ccccc2C1)[N@H+]1CCCC[C@@H]1C ZINC000564529352 322033488 /nfs/dbraw/zinc/03/34/88/322033488.db2.gz OMYKIGPDSKNDAB-JKSUJKDBSA-N 2 1 286.463 3.254 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCOc1ccc(Cl)cc1 ZINC000564989281 322052889 /nfs/dbraw/zinc/05/28/89/322052889.db2.gz GZHOGBRAKWHIKS-HNNXBMFYSA-N 2 1 284.831 3.072 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566230411 322110578 /nfs/dbraw/zinc/11/05/78/322110578.db2.gz PGFFUSMWQGSLCO-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566230411 322110580 /nfs/dbraw/zinc/11/05/80/322110580.db2.gz PGFFUSMWQGSLCO-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CC1=C[C@@H](C)C[C@@H](C[NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000566943738 322144096 /nfs/dbraw/zinc/14/40/96/322144096.db2.gz GKSIPTAQNMUADM-FVQBIDKESA-N 2 1 252.446 3.297 20 0 CGADMP CC1=C[C@@H](C)C[C@@H](C[NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000566943738 322144098 /nfs/dbraw/zinc/14/40/98/322144098.db2.gz GKSIPTAQNMUADM-FVQBIDKESA-N 2 1 252.446 3.297 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000567226648 322154968 /nfs/dbraw/zinc/15/49/68/322154968.db2.gz BFPLXVXBEIVJSB-ZDUSSCGKSA-N 2 1 264.413 3.172 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000567269479 322156919 /nfs/dbraw/zinc/15/69/19/322156919.db2.gz HLBCRUZSRPLRRQ-KBPBESRZSA-N 2 1 278.465 3.132 20 0 CGADMP c1ccc2c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)noc2c1 ZINC000568900933 322227150 /nfs/dbraw/zinc/22/71/50/322227150.db2.gz HREZSADPXYXFSL-FVQBIDKESA-N 2 1 299.418 3.228 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000569159120 322237206 /nfs/dbraw/zinc/23/72/06/322237206.db2.gz LJXLUXSQEICGCN-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000569159120 322237208 /nfs/dbraw/zinc/23/72/08/322237208.db2.gz LJXLUXSQEICGCN-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000569325240 322243349 /nfs/dbraw/zinc/24/33/49/322243349.db2.gz BYJMOYJZURHJNM-CQSZACIVSA-N 2 1 282.378 3.446 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000569635859 322252494 /nfs/dbraw/zinc/25/24/94/322252494.db2.gz JREZMDAONUQVKE-BZUAXINKSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000569635859 322252495 /nfs/dbraw/zinc/25/24/95/322252495.db2.gz JREZMDAONUQVKE-BZUAXINKSA-N 2 1 252.446 3.131 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000570035522 322263392 /nfs/dbraw/zinc/26/33/92/322263392.db2.gz IHCFKTQCPBLZFB-LLVKDONJSA-N 2 1 269.458 3.225 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000570151375 322266286 /nfs/dbraw/zinc/26/62/86/322266286.db2.gz FEBKLVKUHHTISF-JKSUJKDBSA-N 2 1 292.467 3.423 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000570151375 322266287 /nfs/dbraw/zinc/26/62/87/322266287.db2.gz FEBKLVKUHHTISF-JKSUJKDBSA-N 2 1 292.467 3.423 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000571156489 322291274 /nfs/dbraw/zinc/29/12/74/322291274.db2.gz HIHWJMBBEKFIDP-OAHLLOKOSA-N 2 1 296.842 3.451 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000573249124 322377648 /nfs/dbraw/zinc/37/76/48/322377648.db2.gz VUGPYQWZUWWQJR-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH+]1CCC(CCO)([NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000583822797 329481528 /nfs/dbraw/zinc/48/15/28/329481528.db2.gz WWHOCGMRPQTXHS-UHFFFAOYSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000576420479 335201669 /nfs/dbraw/zinc/20/16/69/335201669.db2.gz RMUUWJPZPKFEJU-AAVRWANBSA-N 2 1 292.389 3.285 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000576517155 335213773 /nfs/dbraw/zinc/21/37/73/335213773.db2.gz CYCHGLUVHLJIOK-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000576517155 335213775 /nfs/dbraw/zinc/21/37/75/335213775.db2.gz CYCHGLUVHLJIOK-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000576527335 335215597 /nfs/dbraw/zinc/21/55/97/335215597.db2.gz XSTYDOCCDGJWKS-BGTYHANMSA-N 2 1 272.436 3.308 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccnc2ccccc12)C1CCCCC1 ZINC000576959637 335270455 /nfs/dbraw/zinc/27/04/55/335270455.db2.gz UBSZKZGNCFGKII-GOSISDBHSA-N 2 1 283.419 3.232 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000580550569 335277599 /nfs/dbraw/zinc/27/75/99/335277599.db2.gz VHXNVRLDKKDMCS-OAHLLOKOSA-N 2 1 280.387 3.017 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577280640 335334773 /nfs/dbraw/zinc/33/47/73/335334773.db2.gz BSZYAQKLGDDEME-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577280640 335334775 /nfs/dbraw/zinc/33/47/75/335334775.db2.gz BSZYAQKLGDDEME-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000577564431 335369164 /nfs/dbraw/zinc/36/91/64/335369164.db2.gz GMHUJTNPHCHKHS-QAPCUYQASA-N 2 1 274.452 3.254 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000577564431 335369166 /nfs/dbraw/zinc/36/91/66/335369166.db2.gz GMHUJTNPHCHKHS-QAPCUYQASA-N 2 1 274.452 3.254 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000581292774 336038330 /nfs/dbraw/zinc/03/83/30/336038330.db2.gz LOMSXOHPOMHZOZ-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP CC1(C)CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380937485 336039854 /nfs/dbraw/zinc/03/98/54/336039854.db2.gz KPZOAHZYGIBRRF-IAGOWNOFSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000381472124 336066073 /nfs/dbraw/zinc/06/60/73/336066073.db2.gz LKWJTTPDHKWTEA-VHRBIJSZSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000381472124 336066074 /nfs/dbraw/zinc/06/60/74/336066074.db2.gz LKWJTTPDHKWTEA-VHRBIJSZSA-N 2 1 252.427 3.190 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000382168311 336083388 /nfs/dbraw/zinc/08/33/88/336083388.db2.gz VTNQRWGYVIDMTH-UBHSHLNASA-N 2 1 252.427 3.272 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581720468 336136887 /nfs/dbraw/zinc/13/68/87/336136887.db2.gz ZBYDSSHSLFYERI-HOTGVXAUSA-N 2 1 290.451 3.199 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000581972963 336181473 /nfs/dbraw/zinc/18/14/73/336181473.db2.gz PYZIPOHIPDWIEN-UAGQMJEPSA-N 2 1 264.457 3.300 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000220234072 572875838 /nfs/dbraw/zinc/87/58/38/572875838.db2.gz GMWBAAMVCKYQDZ-WFASDCNBSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000220234072 572875843 /nfs/dbraw/zinc/87/58/43/572875843.db2.gz GMWBAAMVCKYQDZ-WFASDCNBSA-N 2 1 266.816 3.208 20 0 CGADMP CC(C)CSCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000155781082 519767715 /nfs/dbraw/zinc/76/77/15/519767715.db2.gz IHHDKQOPZZLPEN-CVEARBPZSA-N 2 1 284.513 3.182 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000155781082 519767718 /nfs/dbraw/zinc/76/77/18/519767718.db2.gz IHHDKQOPZZLPEN-CVEARBPZSA-N 2 1 284.513 3.182 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155781082 519767719 /nfs/dbraw/zinc/76/77/19/519767719.db2.gz IHHDKQOPZZLPEN-CVEARBPZSA-N 2 1 284.513 3.182 20 0 CGADMP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc2ccccc21 ZINC000449034963 533821371 /nfs/dbraw/zinc/82/13/71/533821371.db2.gz LQWLLEHCEFLHKM-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc2ccccc21 ZINC000449034963 533821379 /nfs/dbraw/zinc/82/13/79/533821379.db2.gz LQWLLEHCEFLHKM-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423330315 533889712 /nfs/dbraw/zinc/88/97/12/533889712.db2.gz FTBDDBPTEYMLNC-YOEHRIQHSA-N 2 1 290.455 3.039 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)[C@@H](C)C1CCCCC1 ZINC000423487154 533907980 /nfs/dbraw/zinc/90/79/80/533907980.db2.gz VFQNAISZIIZIDF-VNHYZAJKSA-N 2 1 288.426 3.426 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)oc21 ZINC000423380213 533911596 /nfs/dbraw/zinc/91/15/96/533911596.db2.gz NJKZJHCSRKKYDW-SGMGOOAPSA-N 2 1 288.391 3.233 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000449082079 534258307 /nfs/dbraw/zinc/25/83/07/534258307.db2.gz KFTHZJHZWKDEKA-HOTGVXAUSA-N 2 1 278.440 3.312 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000449085017 534258556 /nfs/dbraw/zinc/25/85/56/534258556.db2.gz ZSGXVDZSABPWPH-HOTGVXAUSA-N 2 1 278.440 3.455 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163656638 520262098 /nfs/dbraw/zinc/26/20/98/520262098.db2.gz WTQASAOEVABJKU-YJBOKZPZSA-N 2 1 290.451 3.043 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000157478824 520719757 /nfs/dbraw/zinc/71/97/57/520719757.db2.gz LAEIQZXIXJNUHX-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCCCC1 ZINC000414834498 534548075 /nfs/dbraw/zinc/54/80/75/534548075.db2.gz CGUHNARFJPJRMG-PLNGDYQASA-N 2 1 280.362 3.229 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000037643893 521717011 /nfs/dbraw/zinc/71/70/11/521717011.db2.gz BJBSMSUTFJOHTM-CYBMUJFWSA-N 2 1 286.341 3.137 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150281775 522083957 /nfs/dbraw/zinc/08/39/57/522083957.db2.gz FNGMZDWRPOQEIV-CYBMUJFWSA-N 2 1 268.351 3.056 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC000104086376 523227758 /nfs/dbraw/zinc/22/77/58/523227758.db2.gz IYJRXMJWHFBLKL-UHFFFAOYSA-N 2 1 266.816 3.114 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000161511314 523819011 /nfs/dbraw/zinc/81/90/11/523819011.db2.gz WMCXGLZFHZPQOB-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261951898 524203299 /nfs/dbraw/zinc/20/32/99/524203299.db2.gz GBDXNPUVIOURLP-HNNXBMFYSA-N 2 1 298.352 3.199 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277538411 524342543 /nfs/dbraw/zinc/34/25/43/524342543.db2.gz QFIFGFIHEGKWDQ-PBHICJAKSA-N 2 1 278.415 3.345 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157432238 524451066 /nfs/dbraw/zinc/45/10/66/524451066.db2.gz HCQYWXJOSHATKJ-GOSISDBHSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000157678949 525090459 /nfs/dbraw/zinc/09/04/59/525090459.db2.gz RGNKHJFSIOTSSK-KZYLPZIUSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000157678949 525090470 /nfs/dbraw/zinc/09/04/70/525090470.db2.gz RGNKHJFSIOTSSK-KZYLPZIUSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1cccnc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000359726719 534849492 /nfs/dbraw/zinc/84/94/92/534849492.db2.gz GXLNMQHFFZMLAQ-HZPDHXFCSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cccnc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000359726719 534849498 /nfs/dbraw/zinc/84/94/98/534849498.db2.gz GXLNMQHFFZMLAQ-HZPDHXFCSA-N 2 1 287.451 3.133 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414301297 526666565 /nfs/dbraw/zinc/66/65/65/526666565.db2.gz LPSLKJYYPNKLHQ-HZPDHXFCSA-N 2 1 264.457 3.418 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)c2ccccc21 ZINC000157438766 527376272 /nfs/dbraw/zinc/37/62/72/527376272.db2.gz HLCBOUVXEIIZCW-QZTJIDSGSA-N 2 1 282.387 3.190 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(C)c2)[C@H](C)C1 ZINC000449031450 527753602 /nfs/dbraw/zinc/75/36/02/527753602.db2.gz VLHZMWRCZZMLNN-SJLPKXTDSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(C)c2)[C@H](C)C1 ZINC000449031450 527753608 /nfs/dbraw/zinc/75/36/08/527753608.db2.gz VLHZMWRCZZMLNN-SJLPKXTDSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(C)c2)[C@H](C)C1 ZINC000449031450 527753611 /nfs/dbraw/zinc/75/36/11/527753611.db2.gz VLHZMWRCZZMLNN-SJLPKXTDSA-N 2 1 274.452 3.200 20 0 CGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423365557 527783272 /nfs/dbraw/zinc/78/32/72/527783272.db2.gz KJWRKYVVVCIJBU-UONOGXRCSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccoc1 ZINC000423375098 527807919 /nfs/dbraw/zinc/80/79/19/527807919.db2.gz XKMFXUAQTCOGRZ-HZPDHXFCSA-N 2 1 264.413 3.489 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000368026074 527814345 /nfs/dbraw/zinc/81/43/45/527814345.db2.gz ZWFWKLRKMCTUCA-RFSCMCKOSA-N 2 1 294.389 3.142 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000449061410 527826391 /nfs/dbraw/zinc/82/63/91/527826391.db2.gz IOHMDVSIRVFAPP-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000366671979 527889823 /nfs/dbraw/zinc/88/98/23/527889823.db2.gz KIMWECVTORROHE-XSWJXKHESA-N 2 1 290.426 3.392 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cccc(C)c2)C1 ZINC000174222753 528175502 /nfs/dbraw/zinc/17/55/02/528175502.db2.gz JFHJDMAEPWGLJV-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000174222753 528175505 /nfs/dbraw/zinc/17/55/05/528175505.db2.gz JFHJDMAEPWGLJV-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423238246 528332755 /nfs/dbraw/zinc/33/27/55/528332755.db2.gz QYNFWSYDQCHNJK-NWDGAFQWSA-N 2 1 254.805 3.031 20 0 CGADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423234920 528489369 /nfs/dbraw/zinc/48/93/69/528489369.db2.gz MQFBHQNXHSFZPW-GDBMZVCRSA-N 2 1 278.465 3.145 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000423269243 528520129 /nfs/dbraw/zinc/52/01/29/528520129.db2.gz VSXSYFKOLGHZAC-BXUZGUMPSA-N 2 1 254.805 3.364 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423268494 528533542 /nfs/dbraw/zinc/53/35/42/528533542.db2.gz GKVVJQVVSGYHIY-KDOFPFPSSA-N 2 1 283.419 3.383 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423463172 528691174 /nfs/dbraw/zinc/69/11/74/528691174.db2.gz LFMJNALBLHKJCL-MCIONIFRSA-N 2 1 264.413 3.252 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423301140 528823951 /nfs/dbraw/zinc/82/39/51/528823951.db2.gz SOKKEBSJQRJAIJ-YOEHRIQHSA-N 2 1 276.424 3.180 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000437758990 528834385 /nfs/dbraw/zinc/83/43/85/528834385.db2.gz CQIIGYUOETVMLG-INIZCTEOSA-N 2 1 290.451 3.043 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423288562 528950774 /nfs/dbraw/zinc/95/07/74/528950774.db2.gz SVWWIZZMQVCILB-OAHLLOKOSA-N 2 1 264.388 3.310 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423287003 528952313 /nfs/dbraw/zinc/95/23/13/528952313.db2.gz JVBGITHEYZQUST-LLVKDONJSA-N 2 1 286.366 3.456 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423288561 528954200 /nfs/dbraw/zinc/95/42/00/528954200.db2.gz SVWWIZZMQVCILB-HNNXBMFYSA-N 2 1 264.388 3.310 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000423298904 528956027 /nfs/dbraw/zinc/95/60/27/528956027.db2.gz PEXRKJNXBMKWOD-CABCVRRESA-N 2 1 252.377 3.384 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423504467 529012915 /nfs/dbraw/zinc/01/29/15/529012915.db2.gz GAWSZXFOKPLKRQ-HZPDHXFCSA-N 2 1 296.842 3.149 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000449104680 529160871 /nfs/dbraw/zinc/16/08/71/529160871.db2.gz WLXPKCAKYKPOAL-HLLBOEOZSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506402 529179633 /nfs/dbraw/zinc/17/96/33/529179633.db2.gz JXQBXGYRPJNVID-MRXNPFEDSA-N 2 1 294.389 3.491 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(OC)c(OC)c1 ZINC000424374866 529202705 /nfs/dbraw/zinc/20/27/05/529202705.db2.gz LUXVHDPSYGPPAN-RBSFLKMASA-N 2 1 292.423 3.014 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000425341074 529297521 /nfs/dbraw/zinc/29/75/21/529297521.db2.gz FPPXLFZRQSRCSW-KFWWJZLASA-N 2 1 284.513 3.371 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000425341074 529297525 /nfs/dbraw/zinc/29/75/25/529297525.db2.gz FPPXLFZRQSRCSW-KFWWJZLASA-N 2 1 284.513 3.371 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000484628322 535245601 /nfs/dbraw/zinc/24/56/01/535245601.db2.gz YPDHDCHOYWPDFT-WBVHZDCISA-N 2 1 290.451 3.214 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000484628322 535245604 /nfs/dbraw/zinc/24/56/04/535245604.db2.gz YPDHDCHOYWPDFT-WBVHZDCISA-N 2 1 290.451 3.214 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)CCCc1ccccc1 ZINC000513965615 535502781 /nfs/dbraw/zinc/50/27/81/535502781.db2.gz BTGAPBUXSVMGGI-UHFFFAOYSA-N 2 1 262.441 3.283 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000451958686 535824359 /nfs/dbraw/zinc/82/43/59/535824359.db2.gz WWBCXFOAQPBBBJ-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCc1cccc(F)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459800278 535890844 /nfs/dbraw/zinc/89/08/44/535890844.db2.gz ZLUCHAFPBOIHNG-CQSZACIVSA-N 2 1 278.415 3.210 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000459747023 536383835 /nfs/dbraw/zinc/38/38/35/536383835.db2.gz ZNPGEORZWKSEOJ-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C\c2ccccc2)C1 ZINC000459723863 536384870 /nfs/dbraw/zinc/38/48/70/536384870.db2.gz DDWSACCVBAXATF-VWTAQGJOSA-N 2 1 258.409 3.021 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2cnccc2c1 ZINC000226373796 572466468 /nfs/dbraw/zinc/46/64/68/572466468.db2.gz YQCXOWLRKVRGSF-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000749287434 572991605 /nfs/dbraw/zinc/99/16/05/572991605.db2.gz HVWLWYZSBAKNRE-IRXDYDNUSA-N 2 1 283.419 3.197 20 0 CGADMP CC(C)(C)c1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000261925831 618200403 /nfs/dbraw/zinc/20/04/03/618200403.db2.gz CDYJVAZFQRFKMV-UHFFFAOYSA-N 2 1 293.480 3.016 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000891616954 618242192 /nfs/dbraw/zinc/24/21/92/618242192.db2.gz DCXKYYJRRMLSEK-OAHLLOKOSA-N 2 1 264.438 3.227 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000892046502 618502051 /nfs/dbraw/zinc/50/20/51/618502051.db2.gz RQQCEARVUVQCFR-QGZVFWFLSA-N 2 1 294.389 3.444 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000121785508 618611576 /nfs/dbraw/zinc/61/15/76/618611576.db2.gz RVEXFANQYOJBFA-PMPSAXMXSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893304979 619081807 /nfs/dbraw/zinc/08/18/07/619081807.db2.gz QPWYYVJRCUEIDT-UHFFFAOYSA-N 2 1 292.373 3.062 20 0 CGADMP Cc1ccsc1CCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925629563 619097213 /nfs/dbraw/zinc/09/72/13/619097213.db2.gz KAADVIDSLJHRAD-XJKSGUPXSA-N 2 1 274.433 3.277 20 0 CGADMP Cc1ccsc1CC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925629563 619097217 /nfs/dbraw/zinc/09/72/17/619097217.db2.gz KAADVIDSLJHRAD-XJKSGUPXSA-N 2 1 274.433 3.277 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1F)C1CCC([NH3+])CC1 ZINC000162635925 619120907 /nfs/dbraw/zinc/12/09/07/619120907.db2.gz DKQFIZWHPMRAKM-UHFFFAOYSA-N 2 1 270.779 3.181 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000312729080 619135178 /nfs/dbraw/zinc/13/51/78/619135178.db2.gz IUPXEMUINJXMEE-UHFFFAOYSA-N 2 1 269.392 3.036 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccccc1 ZINC000925698288 619150302 /nfs/dbraw/zinc/15/03/02/619150302.db2.gz RCBDLWCQSJOHRY-LOWVWBTDSA-N 2 1 274.330 3.253 20 0 CGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000925735666 619209815 /nfs/dbraw/zinc/20/98/15/619209815.db2.gz IAZKGRYIAWMOHW-OLZOCXBDSA-N 2 1 296.842 3.215 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000925782008 619243609 /nfs/dbraw/zinc/24/36/09/619243609.db2.gz CDXXBVQLDVBLNR-RTWAVKEYSA-N 2 1 266.816 3.030 20 0 CGADMP C[C@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000261457210 619269676 /nfs/dbraw/zinc/26/96/76/619269676.db2.gz OHBQNIVFAIMLSH-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589468 619290249 /nfs/dbraw/zinc/29/02/49/619290249.db2.gz KUJJUICFSMEGIU-HOTGVXAUSA-N 2 1 278.827 3.477 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589468 619290253 /nfs/dbraw/zinc/29/02/53/619290253.db2.gz KUJJUICFSMEGIU-HOTGVXAUSA-N 2 1 278.827 3.477 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050661 619359267 /nfs/dbraw/zinc/35/92/67/619359267.db2.gz SNYKQUPJGXQMDN-GXTWGEPZSA-N 2 1 282.453 3.164 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3cccc(F)c3)CC[C@@H]21 ZINC000894096938 619370846 /nfs/dbraw/zinc/37/08/46/619370846.db2.gz ZIXRNVHRJJJQKK-VTAQAIMTSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3cccc(F)c3)CC[C@@H]21 ZINC000894096938 619370847 /nfs/dbraw/zinc/37/08/47/619370847.db2.gz ZIXRNVHRJJJQKK-VTAQAIMTSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3cccc(F)c3)CC[C@@H]21 ZINC000894096938 619370850 /nfs/dbraw/zinc/37/08/50/619370850.db2.gz ZIXRNVHRJJJQKK-VTAQAIMTSA-N 2 1 288.410 3.255 20 0 CGADMP Cc1coc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000894096856 619370873 /nfs/dbraw/zinc/37/08/73/619370873.db2.gz YSABGJUCOBIWKD-WMLDXEAASA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000894096856 619370874 /nfs/dbraw/zinc/37/08/74/619370874.db2.gz YSABGJUCOBIWKD-WMLDXEAASA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000894096856 619370875 /nfs/dbraw/zinc/37/08/75/619370875.db2.gz YSABGJUCOBIWKD-WMLDXEAASA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000894096856 619370876 /nfs/dbraw/zinc/37/08/76/619370876.db2.gz YSABGJUCOBIWKD-WMLDXEAASA-N 2 1 274.408 3.037 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C(C(C)C)C(C)C ZINC000924872880 619381763 /nfs/dbraw/zinc/38/17/63/619381763.db2.gz KBBNLZPSEHHHOA-ZDUSSCGKSA-N 2 1 251.418 3.098 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)CC(C)(C)C ZINC000878645658 619438457 /nfs/dbraw/zinc/43/84/57/619438457.db2.gz ONORILKWTRVKJR-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)CC(C)(C)C ZINC000878645658 619438459 /nfs/dbraw/zinc/43/84/59/619438459.db2.gz ONORILKWTRVKJR-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC000878645658 619438461 /nfs/dbraw/zinc/43/84/61/619438461.db2.gz ONORILKWTRVKJR-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924959695 619462368 /nfs/dbraw/zinc/46/23/68/619462368.db2.gz LISIZWTWXVMVIK-WZYMTQMTSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000925056610 619513164 /nfs/dbraw/zinc/51/31/64/619513164.db2.gz GVNPDVJGUQIZBY-IRXDYDNUSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000894495081 619555162 /nfs/dbraw/zinc/55/51/62/619555162.db2.gz JEQJHIXEGBYZTG-CRAIPNDOSA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000894495081 619555165 /nfs/dbraw/zinc/55/51/65/619555165.db2.gz JEQJHIXEGBYZTG-CRAIPNDOSA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000894495081 619555168 /nfs/dbraw/zinc/55/51/68/619555168.db2.gz JEQJHIXEGBYZTG-CRAIPNDOSA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000894495081 619555172 /nfs/dbraw/zinc/55/51/72/619555172.db2.gz JEQJHIXEGBYZTG-CRAIPNDOSA-N 2 1 289.467 3.052 20 0 CGADMP COCCCC1(C[NH2+]CC[N@@H+]2CCCC2(C)C)CCC1 ZINC000894795340 619637502 /nfs/dbraw/zinc/63/75/02/619637502.db2.gz ZFRFLDFKIUYQRA-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP COCCCC1(C[NH2+]CC[N@H+]2CCCC2(C)C)CCC1 ZINC000894795340 619637507 /nfs/dbraw/zinc/63/75/07/619637507.db2.gz ZFRFLDFKIUYQRA-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP COCc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000895682479 619872290 /nfs/dbraw/zinc/87/22/90/619872290.db2.gz FBBBRJYBFDPINM-UHFFFAOYSA-N 2 1 294.439 3.124 20 0 CGADMP CCC[C@H](C)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000883251296 619934750 /nfs/dbraw/zinc/93/47/50/619934750.db2.gz KAWDAVJTDMIBFK-LBPRGKRZSA-N 2 1 269.458 3.121 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000897994285 620459279 /nfs/dbraw/zinc/45/92/79/620459279.db2.gz DWPOZGHNMUXAKB-MRXNPFEDSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1scc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1C ZINC000897978393 620461528 /nfs/dbraw/zinc/46/15/28/620461528.db2.gz OMMGCEKLEZIWFL-UHFFFAOYSA-N 2 1 278.465 3.471 20 0 CGADMP FC1(F)CCC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000898031808 620469496 /nfs/dbraw/zinc/46/94/96/620469496.db2.gz OPZNMEQJJNFYGP-GJZGRUSLSA-N 2 1 286.410 3.418 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000924688829 620563711 /nfs/dbraw/zinc/56/37/11/620563711.db2.gz VXFOWASZLCCCOO-KBPBESRZSA-N 2 1 293.455 3.454 20 0 CGADMP C[C@H]1CC2(CC([NH2+]CC(C)(C)[N@@H+]3CCC[C@@H](C)C3)C2)CO1 ZINC000924750649 620621692 /nfs/dbraw/zinc/62/16/92/620621692.db2.gz HAEAHYJAMRZTPE-MHAAMQRSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1CC2(CC([NH2+]CC(C)(C)[N@H+]3CCC[C@@H](C)C3)C2)CO1 ZINC000924750649 620621695 /nfs/dbraw/zinc/62/16/95/620621695.db2.gz HAEAHYJAMRZTPE-MHAAMQRSSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1csc(C2([NH2+][C@H]3CC[NH2+]CC(C)(C)C3)CCC2)n1 ZINC000902352969 621284463 /nfs/dbraw/zinc/28/44/63/621284463.db2.gz WNNNWCKFGXXQLP-ZDUSSCGKSA-N 2 1 293.480 3.199 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC=CCCC1)c1c[nH+]ccc1N ZINC000902458443 621335144 /nfs/dbraw/zinc/33/51/44/621335144.db2.gz XDLPNCHUIVWEMK-UONOGXRCSA-N 2 1 259.397 3.281 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902789451 621446628 /nfs/dbraw/zinc/44/66/28/621446628.db2.gz GYNXADBXSMSJOE-RDJZCZTQSA-N 2 1 284.488 3.148 20 0 CGADMP CO[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000903082643 621563422 /nfs/dbraw/zinc/56/34/22/621563422.db2.gz UQICCBBKJRFGFU-MSOLQXFVSA-N 2 1 290.451 3.184 20 0 CGADMP CCC(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903093810 621584611 /nfs/dbraw/zinc/58/46/11/621584611.db2.gz VGAIRKZJSQOIEZ-VHRNVKJDSA-N 2 1 250.430 3.170 20 0 CGADMP CSC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000903156903 621602525 /nfs/dbraw/zinc/60/25/25/621602525.db2.gz RJSBHAIRYGWCTA-IRKLFDGPSA-N 2 1 296.524 3.371 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](c1ccccn1)C1CC1)[NH+]1CCCCC1 ZINC000903147678 621610649 /nfs/dbraw/zinc/61/06/49/621610649.db2.gz MGCLJVRKSJMHCT-MAUKXSAKSA-N 2 1 287.451 3.387 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000903172775 621612889 /nfs/dbraw/zinc/61/28/89/621612889.db2.gz DOUJEFZLIXKDDZ-WMZOPIPTSA-N 2 1 286.463 3.428 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000903185008 621616920 /nfs/dbraw/zinc/61/69/20/621616920.db2.gz BRZSSQJIUVFSMM-IJPHFBCISA-N 2 1 264.457 3.272 20 0 CGADMP CC(C)CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903204608 621626087 /nfs/dbraw/zinc/62/60/87/621626087.db2.gz WDBTZLFAKJNBMS-VHRNVKJDSA-N 2 1 262.441 3.313 20 0 CGADMP c1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CC2)nc1 ZINC000903207689 621629798 /nfs/dbraw/zinc/62/97/98/621629798.db2.gz ZEPOOPFOBWITKN-VQIMIIECSA-N 2 1 299.462 3.244 20 0 CGADMP c1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)nc1 ZINC000903207689 621629801 /nfs/dbraw/zinc/62/98/01/621629801.db2.gz ZEPOOPFOBWITKN-VQIMIIECSA-N 2 1 299.462 3.244 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903383709 621724947 /nfs/dbraw/zinc/72/49/47/621724947.db2.gz NXCULCPWQYIQLD-HOCLYGCPSA-N 2 1 263.429 3.099 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439337 621747967 /nfs/dbraw/zinc/74/79/67/621747967.db2.gz GHEWOZDLRKQYPN-VWPFQQQWSA-N 2 1 276.399 3.336 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439560 621748033 /nfs/dbraw/zinc/74/80/33/621748033.db2.gz KMKJKLATBLGIKT-XPKDYRNWSA-N 2 1 280.843 3.330 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439572 621748983 /nfs/dbraw/zinc/74/89/83/621748983.db2.gz KWUVMNZQMLXNOI-YVSFHVDLSA-N 2 1 272.436 3.300 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000903458466 621750898 /nfs/dbraw/zinc/75/08/98/621750898.db2.gz ANLNZGKCXLBBGC-HIFRSBDPSA-N 2 1 278.465 3.215 20 0 CGADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903476967 621763540 /nfs/dbraw/zinc/76/35/40/621763540.db2.gz PSLKLUIWQGXROQ-BZUAXINKSA-N 2 1 294.389 3.239 20 0 CGADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903476967 621763546 /nfs/dbraw/zinc/76/35/46/621763546.db2.gz PSLKLUIWQGXROQ-BZUAXINKSA-N 2 1 294.389 3.239 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903490852 621766700 /nfs/dbraw/zinc/76/67/00/621766700.db2.gz KGNYFRYFIPNZCR-ZWKOTPCHSA-N 2 1 272.436 3.169 20 0 CGADMP CC(C)C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000903722325 621796283 /nfs/dbraw/zinc/79/62/83/621796283.db2.gz KPVRERGAUSXIAO-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903763441 621803212 /nfs/dbraw/zinc/80/32/12/621803212.db2.gz JYUAKXWTZSBLDW-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000903789612 621808797 /nfs/dbraw/zinc/80/87/97/621808797.db2.gz YMULHRNYTMSDNT-OLZOCXBDSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c(C)n1 ZINC000903811197 621813469 /nfs/dbraw/zinc/81/34/69/621813469.db2.gz JPAQIINSFWDLEH-KRWDZBQOSA-N 2 1 287.451 3.182 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCc2ccccc2)CCC1 ZINC000903810322 621813650 /nfs/dbraw/zinc/81/36/50/621813650.db2.gz AXPQJZOKQSAVCR-KRWDZBQOSA-N 2 1 272.436 3.213 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2CCC(F)(F)C2)CCC1 ZINC000903812465 621813999 /nfs/dbraw/zinc/81/39/99/621813999.db2.gz TXEYNPUJJDOJGB-KBPBESRZSA-N 2 1 286.410 3.405 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2CCC3(CCC3)O2)CCC1 ZINC000903812678 621814684 /nfs/dbraw/zinc/81/46/84/621814684.db2.gz VYCCVERDVMIVCJ-CVEARBPZSA-N 2 1 292.467 3.072 20 0 CGADMP CC[C@@]1(C)CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903894617 621828095 /nfs/dbraw/zinc/82/80/95/621828095.db2.gz ANPPPYXSZLKXEF-UYTSQGDYSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@]1(C)CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903894618 621828553 /nfs/dbraw/zinc/82/85/53/621828553.db2.gz ANPPPYXSZLKXEF-WTXIUTQJSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903895466 621828641 /nfs/dbraw/zinc/82/86/41/621828641.db2.gz OGLPZHCORYAQRN-BPIHKTFHSA-N 2 1 286.463 3.388 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903897900 621828877 /nfs/dbraw/zinc/82/88/77/621828877.db2.gz KIOVLWMNSRLJGR-DBKFYXDTSA-N 2 1 284.447 3.395 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000903897987 621828947 /nfs/dbraw/zinc/82/89/47/621828947.db2.gz KWQNCUVIAIFITF-HZPDHXFCSA-N 2 1 296.405 3.456 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000903897987 621828949 /nfs/dbraw/zinc/82/89/49/621828949.db2.gz KWQNCUVIAIFITF-HZPDHXFCSA-N 2 1 296.405 3.456 20 0 CGADMP [NH3+][C@@H](C[NH2+]C1(Cc2ccccc2)CCCC1)CC(F)F ZINC000903905660 621831457 /nfs/dbraw/zinc/83/14/57/621831457.db2.gz LERIZPPRUUXVNT-CQSZACIVSA-N 2 1 282.378 3.114 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000903915369 621832611 /nfs/dbraw/zinc/83/26/11/621832611.db2.gz BHMFILHVRNAMAU-LVQVYYBASA-N 2 1 294.389 3.380 20 0 CGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC(C)(C)C1 ZINC000903916513 621836270 /nfs/dbraw/zinc/83/62/70/621836270.db2.gz HEJYONNAHLVSPZ-JALIKCBVSA-N 2 1 250.430 3.028 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977059 621844439 /nfs/dbraw/zinc/84/44/39/621844439.db2.gz IGOOOUHHNZDBOM-GDBMZVCRSA-N 2 1 298.430 3.265 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)c(F)c3)C[C@@H]21 ZINC000904302360 621902361 /nfs/dbraw/zinc/90/23/61/621902361.db2.gz VBILGTHPLRCYFK-OSAQELSMSA-N 2 1 298.352 3.323 20 0 CGADMP Cc1ccc(C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)C)s1 ZINC000904311794 621902954 /nfs/dbraw/zinc/90/29/54/621902954.db2.gz CNYWWTKOTGASDO-BETUJISGSA-N 2 1 252.427 3.004 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000904317608 621904133 /nfs/dbraw/zinc/90/41/33/621904133.db2.gz IPHHJTUMJIRFMM-BETUJISGSA-N 2 1 294.389 3.447 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317454 621904258 /nfs/dbraw/zinc/90/42/58/621904258.db2.gz YLAHJULDSAFIPK-OTVXOJSOSA-N 2 1 264.388 3.165 20 0 CGADMP C[C@@]1(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCC[NH2+]C1 ZINC000904380829 621916320 /nfs/dbraw/zinc/91/63/20/621916320.db2.gz HRRUWKBJANLTBV-INDMIFKZSA-N 2 1 284.447 3.112 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000904406543 621917842 /nfs/dbraw/zinc/91/78/42/621917842.db2.gz GOPLVCVCJYNADE-NXHRZFHOSA-N 2 1 272.436 3.168 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1C(F)(F)F ZINC000904418751 621920750 /nfs/dbraw/zinc/92/07/50/621920750.db2.gz FEXVJNMMNSESDZ-UONOGXRCSA-N 2 1 298.352 3.055 20 0 CGADMP CCCC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000906526144 622243429 /nfs/dbraw/zinc/24/34/29/622243429.db2.gz DTTJDIULIZKNBP-CQSZACIVSA-N 2 1 266.454 3.350 20 0 CGADMP CCCC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000906526144 622243433 /nfs/dbraw/zinc/24/34/33/622243433.db2.gz DTTJDIULIZKNBP-CQSZACIVSA-N 2 1 266.454 3.350 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000149625198 622356805 /nfs/dbraw/zinc/35/68/05/622356805.db2.gz GJWMOZHTXFQMEG-QGZVFWFLSA-N 2 1 296.414 3.046 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000925480750 624508627 /nfs/dbraw/zinc/50/86/27/624508627.db2.gz GXGYYPGRAAWKRG-YMGXSFKPSA-N 2 1 282.431 3.032 20 0 CGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC000921688900 625839822 /nfs/dbraw/zinc/83/98/22/625839822.db2.gz JXFJOZSTNLJGTE-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(C)c1 ZINC000922080253 625969202 /nfs/dbraw/zinc/96/92/02/625969202.db2.gz BWBYHSJGGXOWHG-UHFFFAOYSA-N 2 1 288.435 3.110 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000922965118 626111752 /nfs/dbraw/zinc/11/17/52/626111752.db2.gz VZJBOOSQRQHFDO-QUCCMNQESA-N 2 1 298.474 3.473 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(Cl)nc1 ZINC000923300689 626143886 /nfs/dbraw/zinc/14/38/86/626143886.db2.gz IWDUOGYWXTYVLS-LQDVMPOASA-N 2 1 293.842 3.088 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923327976 626145595 /nfs/dbraw/zinc/14/55/95/626145595.db2.gz QIIUSRXGXJJNCV-UHFFFAOYSA-N 2 1 262.441 3.032 20 0 CGADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923400536 626150995 /nfs/dbraw/zinc/15/09/95/626150995.db2.gz ZGEOLEZGJTZNQQ-LFAHVKQVSA-N 2 1 284.394 3.169 20 0 CGADMP c1ccc([C@@]23C[C@@H]2C[N@H+](CCC2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000923429244 626152992 /nfs/dbraw/zinc/15/29/92/626152992.db2.gz RVDWEJVFJLMKDU-GKEPGTTFSA-N 2 1 296.458 3.181 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000923483908 626157153 /nfs/dbraw/zinc/15/71/53/626157153.db2.gz SCEUEGKLJAGQPK-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CC[C@@H]1C[NH3+] ZINC000923495754 626157681 /nfs/dbraw/zinc/15/76/81/626157681.db2.gz XBZGOQGTUQQGST-SUYBPPKGSA-N 2 1 276.399 3.120 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923496889 626158389 /nfs/dbraw/zinc/15/83/89/626158389.db2.gz CFJGGVHVBZVTML-FZMZJTMJSA-N 2 1 268.351 3.041 20 0 CGADMP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923502645 626158728 /nfs/dbraw/zinc/15/87/28/626158728.db2.gz YADXLGMRHIEVHR-HUUCEWRRSA-N 2 1 299.418 3.067 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC000923516043 626160567 /nfs/dbraw/zinc/16/05/67/626160567.db2.gz SSWJCAURLBNGEX-OQIJWPOYSA-N 2 1 284.447 3.112 20 0 CGADMP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923526023 626161108 /nfs/dbraw/zinc/16/11/08/626161108.db2.gz NIGIZHRHJRYCHY-DOMZBBRYSA-N 2 1 298.883 3.408 20 0 CGADMP c1ccc(CSCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000754785222 626587256 /nfs/dbraw/zinc/58/72/56/626587256.db2.gz JRUCVGJSUVYPGJ-IAGOWNOFSA-N 2 1 290.476 3.136 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnc(Cl)c1 ZINC000765039178 627237716 /nfs/dbraw/zinc/23/77/16/627237716.db2.gz QLMAVGUXIPXEDL-YUTCNCBUSA-N 2 1 279.815 3.012 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnc(Cl)c1 ZINC000765039178 627237719 /nfs/dbraw/zinc/23/77/19/627237719.db2.gz QLMAVGUXIPXEDL-YUTCNCBUSA-N 2 1 279.815 3.012 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C1(C)C ZINC000766452809 627332671 /nfs/dbraw/zinc/33/26/71/627332671.db2.gz XYTUMWMFPAASLR-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000769877434 627586878 /nfs/dbraw/zinc/58/68/78/627586878.db2.gz WPIIEDPMVBXRPR-KBPBESRZSA-N 2 1 293.455 3.318 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc[nH]1 ZINC000773120730 627859326 /nfs/dbraw/zinc/85/93/26/627859326.db2.gz RDDYZEAEFHOZEJ-AWEZNQCLSA-N 2 1 275.440 3.462 20 0 CGADMP C[C@H](C1CC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000782180994 628620205 /nfs/dbraw/zinc/62/02/05/628620205.db2.gz NSWPFBZXQZHXLZ-BZUAXINKSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1F ZINC000783224425 628690130 /nfs/dbraw/zinc/69/01/30/628690130.db2.gz NVFDEIQVKOCVDB-NHYWBVRUSA-N 2 1 273.355 3.208 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CC2(C)C)cn1 ZINC000785423504 628861183 /nfs/dbraw/zinc/86/11/83/628861183.db2.gz LKEORQNYNINTID-SWLSCSKDSA-N 2 1 284.407 3.100 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000788503489 629060216 /nfs/dbraw/zinc/06/02/16/629060216.db2.gz DARBGKYZLPZLEH-CQSZACIVSA-N 2 1 291.439 3.092 20 0 CGADMP FC1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000792949771 629397376 /nfs/dbraw/zinc/39/73/76/629397376.db2.gz ZZZDJLKXXOXZDB-UHFFFAOYSA-N 2 1 268.420 3.123 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)n(C)n1 ZINC000793517352 629473262 /nfs/dbraw/zinc/47/32/62/629473262.db2.gz MPLNOQXAVCLFSW-HNNXBMFYSA-N 2 1 292.471 3.034 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)n(C)n1 ZINC000793517352 629473265 /nfs/dbraw/zinc/47/32/65/629473265.db2.gz MPLNOQXAVCLFSW-HNNXBMFYSA-N 2 1 292.471 3.034 20 0 CGADMP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H](C)C1(F)F ZINC000863546429 629604169 /nfs/dbraw/zinc/60/41/69/629604169.db2.gz FISFOKAZRQERIC-BETUJISGSA-N 2 1 262.388 3.119 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC000798957110 630128052 /nfs/dbraw/zinc/12/80/52/630128052.db2.gz UTBIVYSEYIZVED-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP COc1ccsc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956614 630128569 /nfs/dbraw/zinc/12/85/69/630128569.db2.gz GIOKXDMKLNALTK-UHFFFAOYSA-N 2 1 294.464 3.065 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806142244 630548444 /nfs/dbraw/zinc/54/84/44/630548444.db2.gz BONDPLAGUSYLGG-AWEZNQCLSA-N 2 1 293.842 3.185 20 0 CGADMP CC(C)C(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000808728732 630671767 /nfs/dbraw/zinc/67/17/67/630671767.db2.gz UUNFGNURCYMHGB-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000808728732 630671769 /nfs/dbraw/zinc/67/17/69/630671769.db2.gz UUNFGNURCYMHGB-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000808728732 630671770 /nfs/dbraw/zinc/67/17/70/630671770.db2.gz UUNFGNURCYMHGB-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000808728732 630671771 /nfs/dbraw/zinc/67/17/71/630671771.db2.gz UUNFGNURCYMHGB-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000810260875 630861689 /nfs/dbraw/zinc/86/16/89/630861689.db2.gz HNVSXFFEGKULJG-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000810260875 630861692 /nfs/dbraw/zinc/86/16/92/630861692.db2.gz HNVSXFFEGKULJG-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000843389667 635656703 /nfs/dbraw/zinc/65/67/03/635656703.db2.gz KQGBBXOSJZAZTA-TZMCWYRMSA-N 2 1 298.352 3.104 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2C)CC1 ZINC000815553801 631794300 /nfs/dbraw/zinc/79/43/00/631794300.db2.gz KDCVTJNADOBUDF-CYBMUJFWSA-N 2 1 264.388 3.269 20 0 CGADMP CC1(C)CCC[C@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)O1 ZINC000879203901 635725466 /nfs/dbraw/zinc/72/54/66/635725466.db2.gz XMCGEKYPMHALFJ-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1(Cl)Cl ZINC000817935251 632237601 /nfs/dbraw/zinc/23/76/01/632237601.db2.gz AVRQROWKPZYPGB-YNEHKIRRSA-N 2 1 285.218 3.305 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccnc(Cl)c1 ZINC000817938332 632238876 /nfs/dbraw/zinc/23/88/76/632238876.db2.gz JDGBFMLVFMIHAG-NSHDSACASA-N 2 1 267.804 3.047 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1Cl ZINC000817960915 632255920 /nfs/dbraw/zinc/25/59/20/632255920.db2.gz UGVQWTXKYRDWCU-JTQLQIEISA-N 2 1 270.804 3.045 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000817972670 632266202 /nfs/dbraw/zinc/26/62/02/632266202.db2.gz ZPALWPLRPGRYQI-YVVXQTMVSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817973586 632266253 /nfs/dbraw/zinc/26/62/53/632266253.db2.gz VJUIFJGJMURIBA-TVQRCGJNSA-N 2 1 286.391 3.316 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1Cl ZINC000817980628 632271977 /nfs/dbraw/zinc/27/19/77/632271977.db2.gz WEAIBTFTPGYXFN-AXFHLTTASA-N 2 1 270.804 3.043 20 0 CGADMP CCCCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000817982639 632272936 /nfs/dbraw/zinc/27/29/36/632272936.db2.gz UVWVDFJWSFHUMR-ZWKOTPCHSA-N 2 1 290.451 3.276 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818615053 632341392 /nfs/dbraw/zinc/34/13/92/632341392.db2.gz LCZWVVOCAYLSEJ-DAXOMENPSA-N 2 1 262.397 3.006 20 0 CGADMP CC(C)C[N@@H+](C/C=C\Cl)CC1CC[NH+](C)CC1 ZINC000879702510 635839476 /nfs/dbraw/zinc/83/94/76/635839476.db2.gz NOIVMQMUGJVKTD-DAXSKMNVSA-N 2 1 258.837 3.039 20 0 CGADMP C([NH2+]C[C@H]1CCSC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865804787 632895430 /nfs/dbraw/zinc/89/54/30/632895430.db2.gz HXPPVTOCUPIVCL-GDBMZVCRSA-N 2 1 282.497 3.126 20 0 CGADMP C([NH2+]C[C@H]1CCSC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000865804787 632895435 /nfs/dbraw/zinc/89/54/35/632895435.db2.gz HXPPVTOCUPIVCL-GDBMZVCRSA-N 2 1 282.497 3.126 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000866222145 633034031 /nfs/dbraw/zinc/03/40/31/633034031.db2.gz YUXQEAPOWDRMKL-OAHLLOKOSA-N 2 1 272.436 3.142 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCc1cccnc1 ZINC000866266129 633052232 /nfs/dbraw/zinc/05/22/32/633052232.db2.gz WXKRCXMEVJOUBS-SJLPKXTDSA-N 2 1 289.467 3.257 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCc1cccnc1 ZINC000866266129 633052235 /nfs/dbraw/zinc/05/22/35/633052235.db2.gz WXKRCXMEVJOUBS-SJLPKXTDSA-N 2 1 289.467 3.257 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866450999 633141229 /nfs/dbraw/zinc/14/12/29/633141229.db2.gz CMTLROCOIBTMLD-RDHHWEPZSA-N 2 1 296.499 3.433 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000866585663 633203867 /nfs/dbraw/zinc/20/38/67/633203867.db2.gz ZSUXUYWFWMYIKO-XIRDDKMYSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866585663 633203869 /nfs/dbraw/zinc/20/38/69/633203869.db2.gz ZSUXUYWFWMYIKO-XIRDDKMYSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866585663 633203872 /nfs/dbraw/zinc/20/38/72/633203872.db2.gz ZSUXUYWFWMYIKO-XIRDDKMYSA-N 2 1 258.409 3.082 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)CC(C)(C)C ZINC000866668707 633230087 /nfs/dbraw/zinc/23/00/87/633230087.db2.gz IQFOHYAZIMLFGE-YLFCFFPRSA-N 2 1 296.499 3.420 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000866703884 633234456 /nfs/dbraw/zinc/23/44/56/633234456.db2.gz PWALDJVGJVHZKQ-INIZCTEOSA-N 2 1 264.388 3.023 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000880255724 635958432 /nfs/dbraw/zinc/95/84/32/635958432.db2.gz WTFQFVLERSAQSX-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827969684 633543050 /nfs/dbraw/zinc/54/30/50/633543050.db2.gz UOOUGPQKZSNFGA-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827969684 633543053 /nfs/dbraw/zinc/54/30/53/633543053.db2.gz UOOUGPQKZSNFGA-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827969684 633543056 /nfs/dbraw/zinc/54/30/56/633543056.db2.gz UOOUGPQKZSNFGA-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827969684 633543058 /nfs/dbraw/zinc/54/30/58/633543058.db2.gz UOOUGPQKZSNFGA-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)CCC(F)(F)F)C1 ZINC000872023342 633943897 /nfs/dbraw/zinc/94/38/97/633943897.db2.gz GCKYULMXHMYBJA-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872034415 633952594 /nfs/dbraw/zinc/95/25/94/633952594.db2.gz NRYATKAMHXAJOC-IKGGRYGDSA-N 2 1 296.499 3.290 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872073717 633996148 /nfs/dbraw/zinc/99/61/48/633996148.db2.gz VEHCFXSNBKDBFW-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872073717 633996151 /nfs/dbraw/zinc/99/61/51/633996151.db2.gz VEHCFXSNBKDBFW-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@@H+](Cc1cc(C(F)(F)F)co1)C1CCC([NH3+])CC1 ZINC000872141497 634064365 /nfs/dbraw/zinc/06/43/65/634064365.db2.gz JPQHPDJLDWJXKZ-UHFFFAOYSA-N 2 1 276.302 3.000 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1)C1CCCC1 ZINC000872156142 634066335 /nfs/dbraw/zinc/06/63/35/634066335.db2.gz FGESRUQJWVHZEU-RYQLBKOJSA-N 2 1 294.483 3.175 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1C(F)(F)F ZINC000872152210 634066645 /nfs/dbraw/zinc/06/66/45/634066645.db2.gz PEXWKSMWGNSJBH-DGCLKSJQSA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C(F)(F)F ZINC000872152210 634066650 /nfs/dbraw/zinc/06/66/50/634066650.db2.gz PEXWKSMWGNSJBH-DGCLKSJQSA-N 2 1 298.308 3.002 20 0 CGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)[nH]n1 ZINC000872146727 634066813 /nfs/dbraw/zinc/06/68/13/634066813.db2.gz WAVXDNOVYQCQBC-OAHLLOKOSA-N 2 1 292.471 3.232 20 0 CGADMP CC(C)c1cc([C@@H]2CCC[N@H+](CCCCCC[NH3+])C2)n[nH]1 ZINC000872146727 634066816 /nfs/dbraw/zinc/06/68/16/634066816.db2.gz WAVXDNOVYQCQBC-OAHLLOKOSA-N 2 1 292.471 3.232 20 0 CGADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n[nH]1 ZINC000872146727 634066818 /nfs/dbraw/zinc/06/68/18/634066818.db2.gz WAVXDNOVYQCQBC-OAHLLOKOSA-N 2 1 292.471 3.232 20 0 CGADMP CC[C@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834878167 634263801 /nfs/dbraw/zinc/26/38/01/634263801.db2.gz OCZCAKVYOTVVGU-BLNMRFBMSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)CC[N@H+]1C ZINC000834891905 634269637 /nfs/dbraw/zinc/26/96/37/634269637.db2.gz JWPHXDMUYZXPPQ-IJLUTSLNSA-N 2 1 279.255 3.033 20 0 CGADMP COc1ccccc1/C=C/C[N@@H+](C)CCCCCC[NH3+] ZINC000873231473 634294049 /nfs/dbraw/zinc/29/40/49/634294049.db2.gz KILGGGAIJFOYKP-PKNBQFBNSA-N 2 1 276.424 3.159 20 0 CGADMP CC(C)Cc1ncc(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000873231873 634294645 /nfs/dbraw/zinc/29/46/45/634294645.db2.gz XDEJJDVOBJEUGO-UHFFFAOYSA-N 2 1 283.485 3.293 20 0 CGADMP CC1(C)CC[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)[NH2+]C1 ZINC000873237374 634296741 /nfs/dbraw/zinc/29/67/41/634296741.db2.gz PDWHVRGOOJYYCP-WXRRBKDZSA-N 2 1 292.389 3.475 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000876730075 634888509 /nfs/dbraw/zinc/88/85/09/634888509.db2.gz BMVCXAWEPFLVHK-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000876730075 634888513 /nfs/dbraw/zinc/88/85/13/634888513.db2.gz BMVCXAWEPFLVHK-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC000876942910 634933518 /nfs/dbraw/zinc/93/35/18/634933518.db2.gz ILOXLVJTGYMWJW-PMPSAXMXSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H](NCc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000877070853 634971633 /nfs/dbraw/zinc/97/16/33/634971633.db2.gz XGKZLLGPTYZYOU-GHMZBOCLSA-N 2 1 293.798 3.054 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CCN1C ZINC000877070853 634971638 /nfs/dbraw/zinc/97/16/38/634971638.db2.gz XGKZLLGPTYZYOU-GHMZBOCLSA-N 2 1 293.798 3.054 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000877081757 634977274 /nfs/dbraw/zinc/97/72/74/634977274.db2.gz RWSWJMHYRVLTIE-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccnc(Cl)c1 ZINC000840807803 635055440 /nfs/dbraw/zinc/05/54/40/635055440.db2.gz GJTWXUXQRKNYHJ-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP Cc1oc2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877739459 635173224 /nfs/dbraw/zinc/17/32/24/635173224.db2.gz GHAHFGZYLJYRQV-RHSMWYFYSA-N 2 1 284.403 3.267 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739459 635173236 /nfs/dbraw/zinc/17/32/36/635173236.db2.gz GHAHFGZYLJYRQV-RHSMWYFYSA-N 2 1 284.403 3.267 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739459 635173242 /nfs/dbraw/zinc/17/32/42/635173242.db2.gz GHAHFGZYLJYRQV-RHSMWYFYSA-N 2 1 284.403 3.267 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739546 635175880 /nfs/dbraw/zinc/17/58/80/635175880.db2.gz HEALIYNIIFIQKT-MWDXBVQZSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739546 635175887 /nfs/dbraw/zinc/17/58/87/635175887.db2.gz HEALIYNIIFIQKT-MWDXBVQZSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739546 635175892 /nfs/dbraw/zinc/17/58/92/635175892.db2.gz HEALIYNIIFIQKT-MWDXBVQZSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877739546 635175897 /nfs/dbraw/zinc/17/58/97/635175897.db2.gz HEALIYNIIFIQKT-MWDXBVQZSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000877742701 635179728 /nfs/dbraw/zinc/17/97/28/635179728.db2.gz QROVEUFGRHNFNK-LLLHUVSDSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000877742701 635179730 /nfs/dbraw/zinc/17/97/30/635179730.db2.gz QROVEUFGRHNFNK-LLLHUVSDSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000877742701 635179735 /nfs/dbraw/zinc/17/97/35/635179735.db2.gz QROVEUFGRHNFNK-LLLHUVSDSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000877742701 635179739 /nfs/dbraw/zinc/17/97/39/635179739.db2.gz QROVEUFGRHNFNK-LLLHUVSDSA-N 2 1 262.441 3.005 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000877743129 635180189 /nfs/dbraw/zinc/18/01/89/635180189.db2.gz ILDKLKJQPMTZBW-UKRRQHHQSA-N 2 1 298.352 3.231 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000877743129 635180191 /nfs/dbraw/zinc/18/01/91/635180191.db2.gz ILDKLKJQPMTZBW-UKRRQHHQSA-N 2 1 298.352 3.231 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000877743129 635180194 /nfs/dbraw/zinc/18/01/94/635180194.db2.gz ILDKLKJQPMTZBW-UKRRQHHQSA-N 2 1 298.352 3.231 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000877743129 635180196 /nfs/dbraw/zinc/18/01/96/635180196.db2.gz ILDKLKJQPMTZBW-UKRRQHHQSA-N 2 1 298.352 3.231 20 0 CGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC1(C)CC1 ZINC000877767241 635192763 /nfs/dbraw/zinc/19/27/63/635192763.db2.gz DDOIRKMLHBBRJW-UHFFFAOYSA-N 2 1 252.446 3.086 20 0 CGADMP CSC1(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CC1 ZINC000877767232 635193284 /nfs/dbraw/zinc/19/32/84/635193284.db2.gz CTTWJVSBICVEAU-UHFFFAOYSA-N 2 1 284.513 3.182 20 0 CGADMP CCc1nocc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767716 635194415 /nfs/dbraw/zinc/19/44/15/635194415.db2.gz UWDCFYDKKZJYPA-UHFFFAOYSA-N 2 1 293.455 3.037 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000878163570 635388311 /nfs/dbraw/zinc/38/83/11/635388311.db2.gz USJGKFWVNYPOSI-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCC2(F)F)CC[N@H+]1C ZINC000878163570 635388314 /nfs/dbraw/zinc/38/83/14/635388314.db2.gz USJGKFWVNYPOSI-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCCC2(F)F)CC[NH+]1C ZINC000878163570 635388321 /nfs/dbraw/zinc/38/83/21/635388321.db2.gz USJGKFWVNYPOSI-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)CC[NH+]1C ZINC000878163570 635388325 /nfs/dbraw/zinc/38/83/25/635388325.db2.gz USJGKFWVNYPOSI-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843056047 635553256 /nfs/dbraw/zinc/55/32/56/635553256.db2.gz DFOOXEUUOOMFFD-UHFFFAOYSA-N 2 1 276.424 3.176 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667093 635830396 /nfs/dbraw/zinc/83/03/96/635830396.db2.gz AHMXPINYVOEFFL-MGPQQGTHSA-N 2 1 290.373 3.348 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000844225336 635832942 /nfs/dbraw/zinc/83/29/42/635832942.db2.gz NTFDKYBJEBZRJN-GJZGRUSLSA-N 2 1 291.439 3.010 20 0 CGADMP CC(C)(CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880201030 635935368 /nfs/dbraw/zinc/93/53/68/635935368.db2.gz GDZKWUASCGDUMK-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880201030 635935370 /nfs/dbraw/zinc/93/53/70/635935370.db2.gz GDZKWUASCGDUMK-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1c[nH+]ccc1N ZINC000844922636 635985030 /nfs/dbraw/zinc/98/50/30/635985030.db2.gz BLEJREYMQKBZRD-ZJUUUORDSA-N 2 1 288.222 3.119 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000880517624 636013186 /nfs/dbraw/zinc/01/31/86/636013186.db2.gz VJAIYZRRJSPIRW-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cncc2ccccc21 ZINC000845997188 636127854 /nfs/dbraw/zinc/12/78/54/636127854.db2.gz WOWXCUUXZIDEMV-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cncc2ccccc21 ZINC000845997188 636127855 /nfs/dbraw/zinc/12/78/55/636127855.db2.gz WOWXCUUXZIDEMV-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])C1 ZINC000846219278 636162507 /nfs/dbraw/zinc/16/25/07/636162507.db2.gz MYFMJEGTMXXODK-KGLIPLIRSA-N 2 1 258.475 3.112 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC000846701445 636218902 /nfs/dbraw/zinc/21/89/02/636218902.db2.gz ALOPLRJCDMSQKF-CMPLNLGQSA-N 2 1 286.391 3.313 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000846701445 636218909 /nfs/dbraw/zinc/21/89/09/636218909.db2.gz ALOPLRJCDMSQKF-CMPLNLGQSA-N 2 1 286.391 3.313 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)cn1 ZINC000882905651 636455411 /nfs/dbraw/zinc/45/54/11/636455411.db2.gz OFRALJUKTDQVQJ-QLPKVWCKSA-N 2 1 296.418 3.244 20 0 CGADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCCCC1 ZINC000848522148 636587053 /nfs/dbraw/zinc/58/70/53/636587053.db2.gz UYCJOUMIQCWUEO-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC000883418626 636749129 /nfs/dbraw/zinc/74/91/29/636749129.db2.gz NSKHGVIMANOTSB-CHWSQXEVSA-N 2 1 262.388 3.117 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc2cnccc2o1 ZINC000850440081 637065319 /nfs/dbraw/zinc/06/53/19/637065319.db2.gz SHXCJJJTGCZGFJ-NWANDNLSSA-N 2 1 287.407 3.351 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000885922951 637313743 /nfs/dbraw/zinc/31/37/43/637313743.db2.gz MEJOLYYPDFEPGH-VVLHAWIVSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000885922951 637313748 /nfs/dbraw/zinc/31/37/48/637313748.db2.gz MEJOLYYPDFEPGH-VVLHAWIVSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885938021 637321545 /nfs/dbraw/zinc/32/15/45/637321545.db2.gz PGIVWYUDSBXYDT-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886033787 637377674 /nfs/dbraw/zinc/37/76/74/637377674.db2.gz YFUAXSLUXIYXQO-KRWDZBQOSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886121010 637423200 /nfs/dbraw/zinc/42/32/00/637423200.db2.gz SKXUNJWJOLTPAI-PMPSAXMXSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886121010 637423205 /nfs/dbraw/zinc/42/32/05/637423205.db2.gz SKXUNJWJOLTPAI-PMPSAXMXSA-N 2 1 270.461 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000886167003 637445243 /nfs/dbraw/zinc/44/52/43/637445243.db2.gz XYHPKEGVOOKUIU-OKZBNKHCSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC1(C)C ZINC000886343438 637506759 /nfs/dbraw/zinc/50/67/59/637506759.db2.gz XSQVNSOZLQALIQ-DOTOQJQBSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCc3cccnc32)C1 ZINC000886553157 637577751 /nfs/dbraw/zinc/57/77/51/637577751.db2.gz FKBSBJOVPLFILR-NVXWUHKLSA-N 2 1 287.451 3.027 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886553157 637577761 /nfs/dbraw/zinc/57/77/61/637577761.db2.gz FKBSBJOVPLFILR-NVXWUHKLSA-N 2 1 287.451 3.027 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886553157 637577772 /nfs/dbraw/zinc/57/77/72/637577772.db2.gz FKBSBJOVPLFILR-NVXWUHKLSA-N 2 1 287.451 3.027 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886611356 637605680 /nfs/dbraw/zinc/60/56/80/637605680.db2.gz ZQAGXADJCKBQRO-ARFHVFGLSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886611356 637605683 /nfs/dbraw/zinc/60/56/83/637605683.db2.gz ZQAGXADJCKBQRO-ARFHVFGLSA-N 2 1 270.461 3.044 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@H]2CCC[C@H]21 ZINC000886658338 637636401 /nfs/dbraw/zinc/63/64/01/637636401.db2.gz YEDQDOKWJUNIDF-KWCYVHTRSA-N 2 1 284.856 3.364 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@H]2CCC[C@H]21 ZINC000886658338 637636403 /nfs/dbraw/zinc/63/64/03/637636403.db2.gz YEDQDOKWJUNIDF-KWCYVHTRSA-N 2 1 284.856 3.364 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[Si](C)(C)C)CC2)[nH+]c1C ZINC000886665536 637640774 /nfs/dbraw/zinc/64/07/74/637640774.db2.gz ANQXEPLZRKSTBQ-UHFFFAOYSA-N 2 1 265.477 3.083 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000852753750 637706422 /nfs/dbraw/zinc/70/64/22/637706422.db2.gz HPDDXWARJZYGJZ-HNNXBMFYSA-N 2 1 291.439 3.010 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000886857991 637715166 /nfs/dbraw/zinc/71/51/66/637715166.db2.gz JCUZRZHHHACZNS-RHSMWYFYSA-N 2 1 258.409 3.069 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871873 637715472 /nfs/dbraw/zinc/71/54/72/637715472.db2.gz DBPKCDWVDXEVPD-LJQANCHMSA-N 2 1 295.430 3.200 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871872 637716033 /nfs/dbraw/zinc/71/60/33/637716033.db2.gz DBPKCDWVDXEVPD-IBGZPJMESA-N 2 1 295.430 3.200 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000886859752 637716160 /nfs/dbraw/zinc/71/61/60/637716160.db2.gz DBVDDPLOTJQJMU-CYBMUJFWSA-N 2 1 282.378 3.273 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]CCC[N@@H+](C)C3CCCCC3)C2)CO1 ZINC000924601936 638372694 /nfs/dbraw/zinc/37/26/94/638372694.db2.gz TVELPVRZTGFJAH-KLHKWILBSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000924751457 638399469 /nfs/dbraw/zinc/39/94/69/638399469.db2.gz KRKQOCDSUGKPMK-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000924751457 638399474 /nfs/dbraw/zinc/39/94/74/638399474.db2.gz KRKQOCDSUGKPMK-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924765275 638401419 /nfs/dbraw/zinc/40/14/19/638401419.db2.gz KRCZJUCQTLFZSX-BLNMRFBMSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924765275 638401422 /nfs/dbraw/zinc/40/14/22/638401422.db2.gz KRCZJUCQTLFZSX-BLNMRFBMSA-N 2 1 282.497 3.123 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000925224289 638478887 /nfs/dbraw/zinc/47/88/87/638478887.db2.gz ZFIYWTPHADIDGB-LALPHHSUSA-N 2 1 293.842 3.185 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000925720324 638581200 /nfs/dbraw/zinc/58/12/00/638581200.db2.gz GJQAMMVRGNMPPD-WCFLWFBJSA-N 2 1 287.234 3.248 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917194 638605151 /nfs/dbraw/zinc/60/51/51/638605151.db2.gz WPMVDGPIBYYOOK-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000925776898 638608101 /nfs/dbraw/zinc/60/81/01/638608101.db2.gz NSIOHUQDMNXFRY-OLZOCXBDSA-N 2 1 288.407 3.424 20 0 CGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000925824739 638622742 /nfs/dbraw/zinc/62/27/42/638622742.db2.gz VBOIMSZHKYNWHG-UMQBVGHOSA-N 2 1 293.499 3.033 20 0 CGADMP CC[C@@H]([NH2+]CCc1cnc2ccccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000925835476 638626818 /nfs/dbraw/zinc/62/68/18/638626818.db2.gz QBNXEDWJRLRXTF-MJGOQNOKSA-N 2 1 297.446 3.288 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925872039 638636827 /nfs/dbraw/zinc/63/68/27/638636827.db2.gz NSPNLOJIWSZJMF-FGTMMUONSA-N 2 1 299.462 3.217 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925872040 638637075 /nfs/dbraw/zinc/63/70/75/638637075.db2.gz NSPNLOJIWSZJMF-KSZLIROESA-N 2 1 299.462 3.217 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)CC1(C)C ZINC000858172089 638649214 /nfs/dbraw/zinc/64/92/14/638649214.db2.gz JLVHHRMGGKUIQW-DGCLKSJQSA-N 2 1 293.282 3.423 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)CC1(C)C ZINC000858172996 638650100 /nfs/dbraw/zinc/65/01/00/638650100.db2.gz NMBDADBLHGSRNQ-PWSUYJOCSA-N 2 1 279.255 3.033 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccns1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119730 638712630 /nfs/dbraw/zinc/71/26/30/638712630.db2.gz PYKYJCZOIZTTQM-HZSPNIEDSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccns1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119730 638712636 /nfs/dbraw/zinc/71/26/36/638712636.db2.gz PYKYJCZOIZTTQM-HZSPNIEDSA-N 2 1 293.480 3.447 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCC(C)(F)F)CC1 ZINC000929470291 638927103 /nfs/dbraw/zinc/92/71/03/638927103.db2.gz KPHAQFFDLZWATB-UHFFFAOYSA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OC)c2C)C1 ZINC000929749743 638947212 /nfs/dbraw/zinc/94/72/12/638947212.db2.gz RLIUIGZJUCKQGZ-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2C)C1 ZINC000929749743 638947214 /nfs/dbraw/zinc/94/72/14/638947214.db2.gz RLIUIGZJUCKQGZ-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780141 638950613 /nfs/dbraw/zinc/95/06/13/638950613.db2.gz LCGXGIKBCCPBTB-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780141 638950615 /nfs/dbraw/zinc/95/06/15/638950615.db2.gz LCGXGIKBCCPBTB-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780141 638950617 /nfs/dbraw/zinc/95/06/17/638950617.db2.gz LCGXGIKBCCPBTB-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(F)F)C[C@H]1C ZINC000929781870 638950983 /nfs/dbraw/zinc/95/09/83/638950983.db2.gz SDUJNYGSKUYFEE-CHWSQXEVSA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)(F)F)C[C@H]1C ZINC000929781870 638950984 /nfs/dbraw/zinc/95/09/84/638950984.db2.gz SDUJNYGSKUYFEE-CHWSQXEVSA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)(F)F)C[C@H]1C ZINC000929781870 638950985 /nfs/dbraw/zinc/95/09/85/638950985.db2.gz SDUJNYGSKUYFEE-CHWSQXEVSA-N 2 1 262.388 3.226 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437467 639148664 /nfs/dbraw/zinc/14/86/64/639148664.db2.gz CJZYXKXWYVHFES-UXLLHSPISA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437467 639148671 /nfs/dbraw/zinc/14/86/71/639148671.db2.gz CJZYXKXWYVHFES-UXLLHSPISA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437467 639148676 /nfs/dbraw/zinc/14/86/76/639148676.db2.gz CJZYXKXWYVHFES-UXLLHSPISA-N 2 1 276.399 3.160 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000932562890 639354553 /nfs/dbraw/zinc/35/45/53/639354553.db2.gz VYWICNXJBDJFKT-CYBMUJFWSA-N 2 1 275.371 3.151 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415134412 640858433 /nfs/dbraw/zinc/85/84/33/640858433.db2.gz DTXPSPFBGQZPJS-AEFFLSMTSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415134412 640858437 /nfs/dbraw/zinc/85/84/37/640858437.db2.gz DTXPSPFBGQZPJS-AEFFLSMTSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1C[NH3+] ZINC000253182059 640873572 /nfs/dbraw/zinc/87/35/72/640873572.db2.gz FRONOTVNQJIGKO-BXUZGUMPSA-N 2 1 268.351 3.041 20 0 CGADMP COc1cc(N2CCC(C[NH+](C)C)CC2)[nH+]c2ccccc21 ZINC001165044491 721947221 /nfs/dbraw/zinc/94/72/21/721947221.db2.gz BSLYIPYFLAZLCM-UHFFFAOYSA-N 2 1 299.418 3.021 20 0 CGADMP Cc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c(C)c(C)[nH+]1 ZINC001158270420 805933478 /nfs/dbraw/zinc/93/34/78/805933478.db2.gz CYWYXUBBHAETIW-WMLDXEAASA-N 2 1 290.455 3.357 20 0 CGADMP Cc1cc[nH+]c(C)c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159203635 806058842 /nfs/dbraw/zinc/05/88/42/806058842.db2.gz HNGDZSKNWACVNC-UHFFFAOYSA-N 2 1 253.349 3.088 20 0 CGADMP CCc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc(C)[nH+]1 ZINC001159395095 806094740 /nfs/dbraw/zinc/09/47/40/806094740.db2.gz CDCVNKZWRAMNHJ-UHFFFAOYSA-N 2 1 290.455 3.411 20 0 CGADMP CC[NH2+]Cc1cccc(Nc2c[nH+]c(N(C)C)cc2C)c1 ZINC001159956583 806204295 /nfs/dbraw/zinc/20/42/95/806204295.db2.gz LGJGUCSOECBRRN-UHFFFAOYSA-N 2 1 284.407 3.309 20 0 CGADMP CCCCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001253539765 806242880 /nfs/dbraw/zinc/24/28/80/806242880.db2.gz ZIXIKTXWPSVEOM-RCCFBDPRSA-N 2 1 296.499 3.266 20 0 CGADMP CCCCC[C@@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001253539765 806242888 /nfs/dbraw/zinc/24/28/88/806242888.db2.gz ZIXIKTXWPSVEOM-RCCFBDPRSA-N 2 1 296.499 3.266 20 0 CGADMP CCCCC[C@@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001253539765 806242895 /nfs/dbraw/zinc/24/28/95/806242895.db2.gz ZIXIKTXWPSVEOM-RCCFBDPRSA-N 2 1 296.499 3.266 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001254439716 806399121 /nfs/dbraw/zinc/39/91/21/806399121.db2.gz HGKVLHSKQOGEBX-HOCLYGCPSA-N 2 1 264.457 3.418 20 0 CGADMP c1[nH+]cn(C2CCc3ccccc3CC2)c1C1CC[NH2+]CC1 ZINC001254463041 806411245 /nfs/dbraw/zinc/41/12/45/806411245.db2.gz MRBRJWHOOHWIRP-UHFFFAOYSA-N 2 1 295.430 3.470 20 0 CGADMP CCCC[NH+](CCCC)CCCN[C@H]1CCC[N@@H+](C)CC1 ZINC001254504261 806422540 /nfs/dbraw/zinc/42/25/40/806422540.db2.gz SUCOGDLSIDZKQF-SFHVURJKSA-N 2 1 297.531 3.353 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254504261 806422544 /nfs/dbraw/zinc/42/25/44/806422544.db2.gz SUCOGDLSIDZKQF-SFHVURJKSA-N 3 1 297.531 3.353 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254504261 806422548 /nfs/dbraw/zinc/42/25/48/806422548.db2.gz SUCOGDLSIDZKQF-SFHVURJKSA-N 3 1 297.531 3.353 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001254505860 806424916 /nfs/dbraw/zinc/42/49/16/806424916.db2.gz KEQMPWJZUHKIRH-GDBMZVCRSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001254505301 806425796 /nfs/dbraw/zinc/42/57/96/806425796.db2.gz FLSKBDZZCYTWDT-GOSISDBHSA-N 2 1 295.430 3.323 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCC2CCC(F)(F)CC2)CC1 ZINC001254508596 806428222 /nfs/dbraw/zinc/42/82/22/806428222.db2.gz KHYYMVNFPZZSFF-AWEZNQCLSA-N 2 1 274.399 3.276 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2csc3ccccc23)CC1 ZINC001254507756 806428387 /nfs/dbraw/zinc/42/83/87/806428387.db2.gz CZAGIIWLEGAZER-CQSZACIVSA-N 2 1 274.433 3.475 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(C)o1 ZINC001254509282 806431364 /nfs/dbraw/zinc/43/13/64/806431364.db2.gz XZYOHXVSUDQBCJ-ZIAGYGMSSA-N 2 1 250.386 3.113 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(C)o1 ZINC001254509282 806431369 /nfs/dbraw/zinc/43/13/69/806431369.db2.gz XZYOHXVSUDQBCJ-ZIAGYGMSSA-N 2 1 250.386 3.113 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001254514368 806434063 /nfs/dbraw/zinc/43/40/63/806434063.db2.gz KUEQGKRXHXSCJN-HRCADAONSA-N 2 1 278.827 3.270 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001254524902 806440253 /nfs/dbraw/zinc/44/02/53/806440253.db2.gz DQKRDKCGJVWXBM-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001254524902 806440259 /nfs/dbraw/zinc/44/02/59/806440259.db2.gz DQKRDKCGJVWXBM-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001254524902 806440263 /nfs/dbraw/zinc/44/02/63/806440263.db2.gz DQKRDKCGJVWXBM-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254522971 806440278 /nfs/dbraw/zinc/44/02/78/806440278.db2.gz LFDDJJOSRLDGOU-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254522971 806440283 /nfs/dbraw/zinc/44/02/83/806440283.db2.gz LFDDJJOSRLDGOU-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254522971 806440288 /nfs/dbraw/zinc/44/02/88/806440288.db2.gz LFDDJJOSRLDGOU-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001254524903 806440431 /nfs/dbraw/zinc/44/04/31/806440431.db2.gz DQKRDKCGJVWXBM-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001254524903 806440435 /nfs/dbraw/zinc/44/04/35/806440435.db2.gz DQKRDKCGJVWXBM-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001254524903 806440440 /nfs/dbraw/zinc/44/04/40/806440440.db2.gz DQKRDKCGJVWXBM-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cn1 ZINC001254529826 806442835 /nfs/dbraw/zinc/44/28/35/806442835.db2.gz RIYDAPKJGKBZBL-IRXDYDNUSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cn1 ZINC001254529826 806442837 /nfs/dbraw/zinc/44/28/37/806442837.db2.gz RIYDAPKJGKBZBL-IRXDYDNUSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCC[NH+](C)CC2)cn1 ZINC001254529826 806442844 /nfs/dbraw/zinc/44/28/44/806442844.db2.gz RIYDAPKJGKBZBL-IRXDYDNUSA-N 2 1 273.424 3.011 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001254526942 806443362 /nfs/dbraw/zinc/44/33/62/806443362.db2.gz URQYEYRHOGNRLY-OWCLPIDISA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001254526942 806443364 /nfs/dbraw/zinc/44/33/64/806443364.db2.gz URQYEYRHOGNRLY-OWCLPIDISA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001254526942 806443369 /nfs/dbraw/zinc/44/33/69/806443369.db2.gz URQYEYRHOGNRLY-OWCLPIDISA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001254526942 806443374 /nfs/dbraw/zinc/44/33/74/806443374.db2.gz URQYEYRHOGNRLY-OWCLPIDISA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001254531563 806444777 /nfs/dbraw/zinc/44/47/77/806444777.db2.gz HGJXJRYESKIFGY-ZWKOTPCHSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001254531563 806444784 /nfs/dbraw/zinc/44/47/84/806444784.db2.gz HGJXJRYESKIFGY-ZWKOTPCHSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001254531563 806444790 /nfs/dbraw/zinc/44/47/90/806444790.db2.gz HGJXJRYESKIFGY-ZWKOTPCHSA-N 2 1 290.426 3.317 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@@H+](CC3CCCCC3)C1)C2 ZINC001255015525 806526078 /nfs/dbraw/zinc/52/60/78/806526078.db2.gz GUAAKPCSXBKIFU-IBGZPJMESA-N 2 1 298.474 3.398 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CCSC2)CC1 ZINC001255274763 806590126 /nfs/dbraw/zinc/59/01/26/806590126.db2.gz DQPWRBORGGIUHC-ULQDDVLXSA-N 2 1 290.476 3.264 20 0 CGADMP CC(C)c1cccc(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]1 ZINC001162457786 806589112 /nfs/dbraw/zinc/58/91/12/806589112.db2.gz RGNPFWKFLKJCDQ-ZIAGYGMSSA-N 2 1 261.413 3.253 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162481112 806596482 /nfs/dbraw/zinc/59/64/82/806596482.db2.gz IJJDLNOBPYFMFB-GJZGRUSLSA-N 2 1 291.414 3.097 20 0 CGADMP CC[N@@H+](C1CCN(C)CC1)C1CCC(C)(C)CC1 ZINC001255307298 806603155 /nfs/dbraw/zinc/60/31/55/806603155.db2.gz YJLUJNNIESKTQM-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP Fc1ccc2c(cc[nH+]c2NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001162579175 806623551 /nfs/dbraw/zinc/62/35/51/806623551.db2.gz HGDFHOBRVDAMHG-MRXNPFEDSA-N 2 1 291.345 3.268 20 0 CGADMP C[C@H]1CC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255397316 806631876 /nfs/dbraw/zinc/63/18/76/806631876.db2.gz FEJVSPSTPHXXBM-RDJZCZTQSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@H]1CC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397316 806631882 /nfs/dbraw/zinc/63/18/82/806631882.db2.gz FEJVSPSTPHXXBM-RDJZCZTQSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@H]1CC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397316 806631887 /nfs/dbraw/zinc/63/18/87/806631887.db2.gz FEJVSPSTPHXXBM-RDJZCZTQSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001255453143 806642614 /nfs/dbraw/zinc/64/26/14/806642614.db2.gz AGGMOAIIQLYBFN-KBRIMQKVSA-N 2 1 278.415 3.219 20 0 CGADMP C[N@H+]1CCC[C@H](n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001255488077 806650451 /nfs/dbraw/zinc/65/04/51/806650451.db2.gz XNDQHIBGXZGGKO-HOTGVXAUSA-N 2 1 283.419 3.333 20 0 CGADMP C[C@H](CC(F)(F)F)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001255634839 806686091 /nfs/dbraw/zinc/68/60/91/806686091.db2.gz ICMBKIJHLVQZIN-VXGBXAGGSA-N 2 1 266.351 3.181 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000037643778 798871680 /nfs/dbraw/zinc/87/16/80/798871680.db2.gz IUEUYZNHEXQNPS-INIZCTEOSA-N 2 1 260.425 3.043 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001255668236 806699600 /nfs/dbraw/zinc/69/96/00/806699600.db2.gz HXJZOPYEELMTDS-WZYMTQMTSA-N 2 1 273.424 3.056 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cncc(Cl)c1 ZINC001255675662 806702932 /nfs/dbraw/zinc/70/29/32/806702932.db2.gz FZWZKVNZWLCDDF-GVZPALNKSA-N 2 1 293.842 3.401 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC000163903887 799083239 /nfs/dbraw/zinc/08/32/39/799083239.db2.gz FMIJYWMKMYDJMG-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000315751903 799238982 /nfs/dbraw/zinc/23/89/82/799238982.db2.gz GRUJXUHSEIHOHH-LSDHHAIUSA-N 2 1 298.430 3.408 20 0 CGADMP CC(C)(C)OC1CC([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000341632656 799288078 /nfs/dbraw/zinc/28/80/78/799288078.db2.gz YOXYFOYZELMNSF-KLAILNCOSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000381451586 799379677 /nfs/dbraw/zinc/37/96/77/799379677.db2.gz GZWYOEYCBRKULK-SUMWQHHRSA-N 2 1 254.377 3.151 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2ccccc21 ZINC000381451586 799379685 /nfs/dbraw/zinc/37/96/85/799379685.db2.gz GZWYOEYCBRKULK-SUMWQHHRSA-N 2 1 254.377 3.151 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC3CCC2CC3)CCCC1 ZINC000382155327 799393689 /nfs/dbraw/zinc/39/36/89/799393689.db2.gz SDAXHQULVCNAMQ-NRXISQOPSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)[nH+]c1C ZINC001163362384 806747180 /nfs/dbraw/zinc/74/71/80/806747180.db2.gz MZHJBVZIIPTQSL-HIFRSBDPSA-N 2 1 261.413 3.229 20 0 CGADMP C[N@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000384928292 799420091 /nfs/dbraw/zinc/42/00/91/799420091.db2.gz SAIKDWIRPJLQGW-UHFFFAOYSA-N 2 1 290.354 3.220 20 0 CGADMP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000384928292 799420098 /nfs/dbraw/zinc/42/00/98/799420098.db2.gz SAIKDWIRPJLQGW-UHFFFAOYSA-N 2 1 290.354 3.220 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000386560433 799437721 /nfs/dbraw/zinc/43/77/21/799437721.db2.gz VIOMQLRPKSGZDW-BPUTZDHNSA-N 2 1 252.446 3.116 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)ccc2n1 ZINC000387038160 799443270 /nfs/dbraw/zinc/44/32/70/799443270.db2.gz LHEQIMDYQGDYMU-INIZCTEOSA-N 2 1 283.419 3.104 20 0 CGADMP Cc1cc2[nH]ccc2c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)[nH+]1 ZINC001163364552 806749920 /nfs/dbraw/zinc/74/99/20/806749920.db2.gz DKHAMXIXIQWQFQ-WFASDCNBSA-N 2 1 286.423 3.402 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000401475529 799555810 /nfs/dbraw/zinc/55/58/10/799555810.db2.gz LGLCJHDOXMGOFE-BZUAXINKSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@]1([NH3+])CC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC000405842020 799587587 /nfs/dbraw/zinc/58/75/87/799587587.db2.gz IWUKFVVAKMWCHX-KLZNEWFBSA-N 2 1 262.441 3.016 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1F ZINC001255831104 806761127 /nfs/dbraw/zinc/76/11/27/806761127.db2.gz IYFDRQTZZRSAHX-OAHLLOKOSA-N 2 1 280.431 3.468 20 0 CGADMP CC1(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000687304366 799739023 /nfs/dbraw/zinc/73/90/23/799739023.db2.gz WSSWIWBJOYODMY-GOSISDBHSA-N 2 1 272.436 3.288 20 0 CGADMP Cc1csc([C@H](C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)n1 ZINC000688008987 799742750 /nfs/dbraw/zinc/74/27/50/799742750.db2.gz ZGGBEQDWIAQDJW-JTQLQIEISA-N 2 1 293.461 3.010 20 0 CGADMP CC[N@@H+](CCC(F)(F)F)Cc1cc2c(s1)CC[NH2+]C2 ZINC000689062650 799758943 /nfs/dbraw/zinc/75/89/43/799758943.db2.gz YZTHOIUDFQYUTM-UHFFFAOYSA-N 2 1 292.370 3.168 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1(Cl)CC1 ZINC000695634707 799830111 /nfs/dbraw/zinc/83/01/11/799830111.db2.gz BGIRCOHNGVIJAR-QWHCGFSZSA-N 2 1 258.837 3.000 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647973 799830993 /nfs/dbraw/zinc/83/09/93/799830993.db2.gz KRWGFYWGUYKCCH-HOCLYGCPSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(Cl)CC1 ZINC000695648027 799831381 /nfs/dbraw/zinc/83/13/81/799831381.db2.gz LGAQMNXEYJJRGA-CQSZACIVSA-N 2 1 292.854 3.401 20 0 CGADMP CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000697746218 799849022 /nfs/dbraw/zinc/84/90/22/799849022.db2.gz ACWDAKJWJUCYLY-NWDGAFQWSA-N 2 1 266.351 3.026 20 0 CGADMP C[C@H](C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000699262558 799859063 /nfs/dbraw/zinc/85/90/63/799859063.db2.gz DDUYSIQZXCISRU-FFHGMXDLSA-N 2 1 252.446 3.131 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc2oc(C)nc2c1 ZINC001255942176 806790274 /nfs/dbraw/zinc/79/02/74/806790274.db2.gz CCTBTXJGNOIZKQ-ZDUSSCGKSA-N 2 1 289.423 3.346 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC001255948331 806793757 /nfs/dbraw/zinc/79/37/57/806793757.db2.gz JSXWRDPAFLJPBU-PBHICJAKSA-N 2 1 275.440 3.243 20 0 CGADMP C[C@]1(C(F)(F)F)CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709525388 800008960 /nfs/dbraw/zinc/00/89/60/800008960.db2.gz YVYMERUNLYQAPE-GSPSYOTPSA-N 2 1 290.373 3.181 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCSc1ccccc1 ZINC000710795797 800040933 /nfs/dbraw/zinc/04/09/33/800040933.db2.gz AFZPGHZEGFUCHE-UHFFFAOYSA-N 2 1 266.454 3.230 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cncc2ccccc21 ZINC000710843567 800042434 /nfs/dbraw/zinc/04/24/34/800042434.db2.gz XFUZRGXLGWILSA-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(C(F)F)CC1 ZINC001255963598 806801009 /nfs/dbraw/zinc/80/10/09/806801009.db2.gz JJJJTFDGEYFTND-GFCCVEGCSA-N 2 1 262.388 3.084 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000716609047 800177103 /nfs/dbraw/zinc/17/71/03/800177103.db2.gz SMKJTWGKHXCYDH-ROUUACIJSA-N 2 1 270.420 3.039 20 0 CGADMP CC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709689 800178592 /nfs/dbraw/zinc/17/85/92/800178592.db2.gz CPTWEKNWMGTHPD-SPUZQDLCSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716715516 800179010 /nfs/dbraw/zinc/17/90/10/800179010.db2.gz CIUNHLPCHVDAMN-WRNCNIFXSA-N 2 1 284.447 3.285 20 0 CGADMP Fc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC001256071539 806810619 /nfs/dbraw/zinc/81/06/19/806810619.db2.gz CTVPFZAAJXRLPI-GOSISDBHSA-N 2 1 288.410 3.493 20 0 CGADMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256071825 806811463 /nfs/dbraw/zinc/81/14/63/806811463.db2.gz QZFUXVUQMKPMAU-CYBMUJFWSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257477046 807174717 /nfs/dbraw/zinc/17/47/17/807174717.db2.gz ICXMFQRQGGZBMX-VQHPVUNQSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257477046 807174721 /nfs/dbraw/zinc/17/47/21/807174721.db2.gz ICXMFQRQGGZBMX-VQHPVUNQSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257477046 807174725 /nfs/dbraw/zinc/17/47/25/807174725.db2.gz ICXMFQRQGGZBMX-VQHPVUNQSA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@@H](CC)COCCC[NH2+]C1CC[NH+](C)CC1 ZINC001256195250 806847368 /nfs/dbraw/zinc/84/73/68/806847368.db2.gz GQHPKPDZRORSMC-MRXNPFEDSA-N 2 1 284.488 3.293 20 0 CGADMP Cc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001256198233 806847582 /nfs/dbraw/zinc/84/75/82/806847582.db2.gz GMLKGQDRCYHRQY-GFCCVEGCSA-N 2 1 266.816 3.393 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001256197618 806847755 /nfs/dbraw/zinc/84/77/55/806847755.db2.gz MYCJBFXVFRKKRQ-MRXNPFEDSA-N 2 1 264.388 3.351 20 0 CGADMP CCCCc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC001256194627 806847983 /nfs/dbraw/zinc/84/79/83/806847983.db2.gz KDWLXLPSNWWPFV-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP CCOC1CCC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001256441602 806900323 /nfs/dbraw/zinc/90/03/23/806900323.db2.gz DSIYHWFMFVZJPD-UHFFFAOYSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256561828 806916696 /nfs/dbraw/zinc/91/66/96/806916696.db2.gz NKPZRUUBEFWTKG-INIZCTEOSA-N 2 1 297.531 3.349 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCCC(F)(F)CC2)CC1 ZINC001256569179 806917486 /nfs/dbraw/zinc/91/74/86/806917486.db2.gz SVJCKOISRZKUBB-UHFFFAOYSA-N 2 1 274.399 3.371 20 0 CGADMP CC[C@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256575039 806921006 /nfs/dbraw/zinc/92/10/06/806921006.db2.gz IKNQUUBIUIRQTH-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001164250238 806923570 /nfs/dbraw/zinc/92/35/70/806923570.db2.gz KUPIZZRSLKRDQJ-MRXNPFEDSA-N 2 1 295.858 3.421 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629371 806932241 /nfs/dbraw/zinc/93/22/41/806932241.db2.gz CDXCLYQCWABGED-UOKYVRPNSA-N 2 1 285.435 3.042 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629371 806932249 /nfs/dbraw/zinc/93/22/49/806932249.db2.gz CDXCLYQCWABGED-UOKYVRPNSA-N 2 1 285.435 3.042 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629371 806932253 /nfs/dbraw/zinc/93/22/53/806932253.db2.gz CDXCLYQCWABGED-UOKYVRPNSA-N 2 1 285.435 3.042 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001116210238 802312100 /nfs/dbraw/zinc/31/21/00/802312100.db2.gz YXGUMRGIMBUZRZ-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001116210238 802312107 /nfs/dbraw/zinc/31/21/07/802312107.db2.gz YXGUMRGIMBUZRZ-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001116210238 802312114 /nfs/dbraw/zinc/31/21/14/802312114.db2.gz YXGUMRGIMBUZRZ-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001116210238 802312119 /nfs/dbraw/zinc/31/21/19/802312119.db2.gz YXGUMRGIMBUZRZ-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001116210238 802312127 /nfs/dbraw/zinc/31/21/27/802312127.db2.gz YXGUMRGIMBUZRZ-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP c1ccc(OCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001117946356 802513554 /nfs/dbraw/zinc/51/35/54/802513554.db2.gz XOVOLHKXNRTJNE-DLBZAZTESA-N 2 1 288.435 3.062 20 0 CGADMP c1ccc2oc(C3CC[NH+](CCC[NH2+]C4CC4)CC3)nc2c1 ZINC001119682617 802691558 /nfs/dbraw/zinc/69/15/58/802691558.db2.gz OTALXGXATCVOSY-UHFFFAOYSA-N 2 1 299.418 3.149 20 0 CGADMP CCC(CC)C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894078 807000675 /nfs/dbraw/zinc/00/06/75/807000675.db2.gz DNNFZMHWQSBRFN-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(CC)C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894078 807000683 /nfs/dbraw/zinc/00/06/83/807000683.db2.gz DNNFZMHWQSBRFN-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCC(C(C)(C)C)CC2)CCOCC1 ZINC001200590663 811715544 /nfs/dbraw/zinc/71/55/44/811715544.db2.gz NQAFAGHHXZHNQC-UHFFFAOYSA-N 2 1 296.499 3.292 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001201523359 811881814 /nfs/dbraw/zinc/88/18/14/811881814.db2.gz INSALDPFCHSEDE-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CCC(CC)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201523359 811881824 /nfs/dbraw/zinc/88/18/24/811881824.db2.gz INSALDPFCHSEDE-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201523359 811881831 /nfs/dbraw/zinc/88/18/31/811881831.db2.gz INSALDPFCHSEDE-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CCC(CC)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201523359 811881844 /nfs/dbraw/zinc/88/18/44/811881844.db2.gz INSALDPFCHSEDE-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CCC(CC)C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201523359 811881857 /nfs/dbraw/zinc/88/18/57/811881857.db2.gz INSALDPFCHSEDE-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CCOC(=[NH2+])c1ccc(/C=C/C2CC[NH2+]CC2)cc1 ZINC001243897891 803067881 /nfs/dbraw/zinc/06/78/81/803067881.db2.gz ZXMWTELGEXBUNE-HULIIJDTSA-N 2 1 258.365 3.061 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc(CC)c1O ZINC001205280988 812929243 /nfs/dbraw/zinc/92/92/43/812929243.db2.gz NOPOJHDWPFZQPJ-SFHVURJKSA-N 2 1 290.451 3.220 20 0 CGADMP c1cc(C2=C[NH2+]CCC2)cc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc12 ZINC001243949381 803094872 /nfs/dbraw/zinc/09/48/72/803094872.db2.gz DDGMSBRCFAQTLX-QEORTHHSSA-N 2 1 294.402 3.100 20 0 CGADMP C[C@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208184874 813735608 /nfs/dbraw/zinc/73/56/08/813735608.db2.gz QWTMMIYITSRYOA-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2ccccc12 ZINC001138016751 803825968 /nfs/dbraw/zinc/82/59/68/803825968.db2.gz OIOAXKURLMJYQU-CALCHBBNSA-N 2 1 280.415 3.142 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2ccccc12 ZINC001138016751 803825977 /nfs/dbraw/zinc/82/59/77/803825977.db2.gz OIOAXKURLMJYQU-CALCHBBNSA-N 2 1 280.415 3.142 20 0 CGADMP Cc1c2ccccc2[nH]c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001138400179 803917790 /nfs/dbraw/zinc/91/77/90/803917790.db2.gz MWJVSGQNGJEDRF-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001138400179 803917792 /nfs/dbraw/zinc/91/77/92/803917792.db2.gz MWJVSGQNGJEDRF-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001138400179 803917794 /nfs/dbraw/zinc/91/77/94/803917794.db2.gz MWJVSGQNGJEDRF-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3[nH]c4ccccc4c3C)C[C@@H]2C1 ZINC001138401653 803919041 /nfs/dbraw/zinc/91/90/41/803919041.db2.gz SLUAHCKRXMMABN-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3[nH]c4ccccc4c3C)C[C@@H]2C1 ZINC001138401653 803919045 /nfs/dbraw/zinc/91/90/45/803919045.db2.gz SLUAHCKRXMMABN-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3[nH]c4ccccc4c3C)C[C@@H]2C1 ZINC001138401653 803919048 /nfs/dbraw/zinc/91/90/48/803919048.db2.gz SLUAHCKRXMMABN-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3[nH]c4ccccc4c3C)C[C@@H]2C1 ZINC001138401653 803919050 /nfs/dbraw/zinc/91/90/50/803919050.db2.gz SLUAHCKRXMMABN-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCOC(C)(C)C2)cc1 ZINC001138547911 803963226 /nfs/dbraw/zinc/96/32/26/803963226.db2.gz WICRKUSQJZXPPI-UHFFFAOYSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC001138547911 803963232 /nfs/dbraw/zinc/96/32/32/803963232.db2.gz WICRKUSQJZXPPI-UHFFFAOYSA-N 2 1 299.418 3.182 20 0 CGADMP C[N@H+]1CCc2c(F)cc(-c3ccc4c[nH+]cn4c3)cc2C1 ZINC001245900811 804031085 /nfs/dbraw/zinc/03/10/85/804031085.db2.gz VJOPYRAFTTXGOI-UHFFFAOYSA-N 2 1 281.334 3.128 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)s1 ZINC001138756115 804033436 /nfs/dbraw/zinc/03/34/36/804033436.db2.gz XKYSSIJHGLEDMS-GJZGRUSLSA-N 2 1 292.492 3.474 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246072001 804110551 /nfs/dbraw/zinc/11/05/51/804110551.db2.gz NMRBQCZFLHJTGW-ZSHCYNCHSA-N 2 1 264.388 3.225 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246074435 804112559 /nfs/dbraw/zinc/11/25/59/804112559.db2.gz DTCQYIRQWFTLQG-RISCZKNCSA-N 2 1 264.800 3.059 20 0 CGADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC[NH3+] ZINC001246079403 804117654 /nfs/dbraw/zinc/11/76/54/804117654.db2.gz PIXHYUGKFRAIOM-HNNXBMFYSA-N 2 1 268.404 3.145 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246100473 804133018 /nfs/dbraw/zinc/13/30/18/804133018.db2.gz DWIWDNKENIJIDJ-DJIMGWMZSA-N 2 1 260.425 3.128 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106268 804139227 /nfs/dbraw/zinc/13/92/27/804139227.db2.gz PBGQUKQZIKVGET-IPYPFGDCSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246112899 804144812 /nfs/dbraw/zinc/14/48/12/804144812.db2.gz VDOFYEBUCFYFAV-UONOGXRCSA-N 2 1 296.480 3.412 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CC(C)(C)C1 ZINC001246112703 804145314 /nfs/dbraw/zinc/14/53/14/804145314.db2.gz MFEXTIHVJLHNKN-IJEWVQPXSA-N 2 1 270.436 3.273 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246115666 804148341 /nfs/dbraw/zinc/14/83/41/804148341.db2.gz RYKJVGKWYSEIQN-CABCVRRESA-N 2 1 258.425 3.417 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C[C@]2(F)CCCC[NH2+]C2)C1 ZINC001246116163 804148616 /nfs/dbraw/zinc/14/86/16/804148616.db2.gz VBPSDECQVMIDIJ-HIFRSBDPSA-N 2 1 256.409 3.027 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(C)c12 ZINC001139200457 804158576 /nfs/dbraw/zinc/15/85/76/804158576.db2.gz XXSHWXOMLNYGKD-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP CCCCCC1CCC([NH2+][C@]23C[C@H]2C[NH2+]C3)CC1 ZINC001246133368 804159119 /nfs/dbraw/zinc/15/91/19/804159119.db2.gz IKJMPHGMKDDRRT-GRAKBVBRSA-N 2 1 250.430 3.077 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(F)CC[NH2+]C1 ZINC001246150294 804169085 /nfs/dbraw/zinc/16/90/85/804169085.db2.gz VWDSRYSUAYPAKS-SJORKVTESA-N 2 1 278.415 3.079 20 0 CGADMP CCCCC[C@H](CC)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160424 804177689 /nfs/dbraw/zinc/17/76/89/804177689.db2.gz MWCSVMQGFZQRJG-GVDBMIGSSA-N 2 1 282.472 3.236 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)CC(C)(C)C1 ZINC001246162496 804179739 /nfs/dbraw/zinc/17/97/39/804179739.db2.gz ZFEJYLBIPXMPEY-MUQADHOPSA-N 2 1 294.483 3.092 20 0 CGADMP CNc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246174002 804187266 /nfs/dbraw/zinc/18/72/66/804187266.db2.gz VDJCUGFXHCUCHM-OALUTQOASA-N 2 1 295.430 3.311 20 0 CGADMP C[C@]12CC3CC([NH2+][C@H]4CCC[NH2+]C4)(C1)C[C@@](C)(C3)C2 ZINC001246181581 804195804 /nfs/dbraw/zinc/19/58/04/804195804.db2.gz ZWJSISXWFMQJSR-LHJGCZIBSA-N 2 1 262.441 3.077 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186757 804198129 /nfs/dbraw/zinc/19/81/29/804198129.db2.gz HKMOWFNCIPDJAY-WCQYABFASA-N 2 1 284.856 3.162 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[NH2+]C[C@H]3CC[NH2+]3)ccc2c1 ZINC001246197781 804203588 /nfs/dbraw/zinc/20/35/88/804203588.db2.gz ANZIPXJRBXSTOP-KBXCAEBGSA-N 2 1 298.430 3.121 20 0 CGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246263261 804243646 /nfs/dbraw/zinc/24/36/46/804243646.db2.gz CRFKVRVZXSCQNA-HSALFYBXSA-N 2 1 294.442 3.482 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246265052 804246407 /nfs/dbraw/zinc/24/64/07/804246407.db2.gz HOMBUGOQHJEBCW-NEPJUHHUSA-N 2 1 298.352 3.425 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C[NH2+]1 ZINC001246279263 804255375 /nfs/dbraw/zinc/25/53/75/804255375.db2.gz LLJYZZXANAHZRM-IKWCTNDRSA-N 2 1 278.362 3.085 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246282219 804256611 /nfs/dbraw/zinc/25/66/11/804256611.db2.gz BBCGAGPARZDQBQ-FFSVYQOJSA-N 2 1 282.378 3.392 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246316862 804277157 /nfs/dbraw/zinc/27/71/57/804277157.db2.gz KDSZOODJGLRWKI-NEPJUHHUSA-N 2 1 287.234 3.178 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(OC)c2)CC[NH2+]1 ZINC001246319480 804279645 /nfs/dbraw/zinc/27/96/45/804279645.db2.gz WTNLPCGSUSTAOE-HOTGVXAUSA-N 2 1 294.414 3.235 20 0 CGADMP CCCC[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)CC[NH2+]1 ZINC001246360231 804303215 /nfs/dbraw/zinc/30/32/15/804303215.db2.gz GPMCWQSQIIRBOB-IKGGRYGDSA-N 2 1 295.515 3.007 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246361784 804306804 /nfs/dbraw/zinc/30/68/04/804306804.db2.gz MGOIQJQHYMXDAN-GDBMZVCRSA-N 2 1 290.451 3.297 20 0 CGADMP Clc1ccccc1CC1(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246382909 804314034 /nfs/dbraw/zinc/31/40/34/804314034.db2.gz GIJNHSNWAMXCEK-CQSZACIVSA-N 2 1 278.827 3.004 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001139892462 804318476 /nfs/dbraw/zinc/31/84/76/804318476.db2.gz QNRNTCAZYIADHD-DNVCBOLYSA-N 2 1 298.405 3.362 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001139892462 804318485 /nfs/dbraw/zinc/31/84/85/804318485.db2.gz QNRNTCAZYIADHD-DNVCBOLYSA-N 2 1 298.405 3.362 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3F)CCC2)C[NH2+]1 ZINC001246396153 804320689 /nfs/dbraw/zinc/32/06/89/804320689.db2.gz XMCDOBFNZLLQBO-HOCLYGCPSA-N 2 1 290.426 3.269 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246414953 804325882 /nfs/dbraw/zinc/32/58/82/804325882.db2.gz VUOIZRGZYBROPF-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)C[NH2+]1 ZINC001246430651 804329240 /nfs/dbraw/zinc/32/92/40/804329240.db2.gz GSWJFTGQAIBEJV-CZUORRHYSA-N 2 1 278.415 3.125 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CC[NH2+]CC2)C1 ZINC001246432798 804332040 /nfs/dbraw/zinc/33/20/40/804332040.db2.gz YBFPMMVNOPAVOC-KBPBESRZSA-N 2 1 276.399 3.183 20 0 CGADMP CC(C)P(CC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC001246470862 804347604 /nfs/dbraw/zinc/34/76/04/804347604.db2.gz SDSURVBKKKWMSG-UONOGXRCSA-N 2 1 258.390 3.015 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCOC[C@@H]1C(C)C ZINC001140026978 804355674 /nfs/dbraw/zinc/35/56/74/804355674.db2.gz SDZYSQKWIZCJJU-GOSISDBHSA-N 2 1 299.418 3.038 20 0 CGADMP Cc1nccn1-c1ccccc1CN1CCOC[C@@H]1C(C)C ZINC001140026978 804355683 /nfs/dbraw/zinc/35/56/83/804355683.db2.gz SDZYSQKWIZCJJU-GOSISDBHSA-N 2 1 299.418 3.038 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CCc2ccccc2)CC[NH2+]1 ZINC001246518942 804370993 /nfs/dbraw/zinc/37/09/93/804370993.db2.gz JCLUPAUOTSPDFX-QZTJIDSGSA-N 2 1 274.452 3.472 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](C)CCc2ccccc2)CC[NH2+]1 ZINC001246518944 804372062 /nfs/dbraw/zinc/37/20/62/804372062.db2.gz JCLUPAUOTSPDFX-ZWKOTPCHSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246520616 804373898 /nfs/dbraw/zinc/37/38/98/804373898.db2.gz UEHMUVKHSCOSMQ-NJAFHUGGSA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246522336 804377265 /nfs/dbraw/zinc/37/72/65/804377265.db2.gz JPCFOMOSSWVIHL-GOSISDBHSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@@H]1CC([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@@H](C)C1 ZINC001246521614 804377419 /nfs/dbraw/zinc/37/74/19/804377419.db2.gz CSRMEZKATOXAAG-GJZGRUSLSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246527387 804380875 /nfs/dbraw/zinc/38/08/75/804380875.db2.gz TZSLYIUPYWJEJJ-ZWKOTPCHSA-N 2 1 272.436 3.349 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531311 804382883 /nfs/dbraw/zinc/38/28/83/804382883.db2.gz DLAGXHHSEAILOA-IAGOWNOFSA-N 2 1 272.436 3.211 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531311 804382891 /nfs/dbraw/zinc/38/28/91/804382891.db2.gz DLAGXHHSEAILOA-IAGOWNOFSA-N 2 1 272.436 3.211 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246531161 804383874 /nfs/dbraw/zinc/38/38/74/804383874.db2.gz NKMNSGBKACLLMW-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538240 804388107 /nfs/dbraw/zinc/38/81/07/804388107.db2.gz ATBVVXDBEYBIQU-BXUZGUMPSA-N 2 1 284.806 3.223 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246543060 804390874 /nfs/dbraw/zinc/39/08/74/804390874.db2.gz SBPWFBJHMOKYBH-SOUVJXGZSA-N 2 1 278.465 3.002 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246549095 804397423 /nfs/dbraw/zinc/39/74/23/804397423.db2.gz HAPJEUANMIZYOW-HRCADAONSA-N 2 1 292.492 3.392 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC001246549479 804398044 /nfs/dbraw/zinc/39/80/44/804398044.db2.gz JAZOYEOAYDPQEL-QAPCUYQASA-N 2 1 274.452 3.111 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246550272 804400170 /nfs/dbraw/zinc/40/01/70/804400170.db2.gz JGBVQJNETXSHHC-KBAYOESNSA-N 2 1 274.452 3.315 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552966 804402924 /nfs/dbraw/zinc/40/29/24/804402924.db2.gz QLCDPZNAYYFKAK-DLBZAZTESA-N 2 1 260.425 3.211 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCCC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246554732 804404244 /nfs/dbraw/zinc/40/42/44/804404244.db2.gz CNDQTBGLZGJPDJ-KFWWJZLASA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCCC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246554730 804404683 /nfs/dbraw/zinc/40/46/83/804404683.db2.gz CNDQTBGLZGJPDJ-ILXRZTDVSA-N 2 1 252.446 3.262 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246557300 804405956 /nfs/dbraw/zinc/40/59/56/804405956.db2.gz KMCMWYUEUGITKO-KURKYZTESA-N 2 1 290.426 3.476 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246557276 804406433 /nfs/dbraw/zinc/40/64/33/804406433.db2.gz HMZGDAWHRAGITB-LEOMRAHMSA-N 2 1 296.499 3.157 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246562332 804411925 /nfs/dbraw/zinc/41/19/25/804411925.db2.gz YLTDCBSMIAOKGS-RDJZCZTQSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246562332 804411926 /nfs/dbraw/zinc/41/19/26/804411926.db2.gz YLTDCBSMIAOKGS-RDJZCZTQSA-N 2 1 260.425 3.285 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC3(CCc4ccccc43)CC2)C[C@H]1[NH3+] ZINC001246568242 804415757 /nfs/dbraw/zinc/41/57/57/804415757.db2.gz QKGCZVVZMJJFJD-FIHXEBHWSA-N 2 1 284.447 3.092 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CSc3ccccc3C2)CC1 ZINC001246572060 804419723 /nfs/dbraw/zinc/41/97/23/804419723.db2.gz CWMAXFJNFYEJTE-WBVHZDCISA-N 2 1 290.476 3.154 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246573991 804421172 /nfs/dbraw/zinc/42/11/72/804421172.db2.gz HHGHMZLYPWCYCY-RHSMWYFYSA-N 2 1 292.854 3.258 20 0 CGADMP CC1(C)CC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC(C)(C)O1 ZINC001246574900 804422305 /nfs/dbraw/zinc/42/23/05/804422305.db2.gz JOIZTPLRIDXEHE-QGZVFWFLSA-N 2 1 282.472 3.174 20 0 CGADMP C[C@@]1(F)CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246576855 804422368 /nfs/dbraw/zinc/42/23/68/804422368.db2.gz PWNJXIWQETYTHS-OAHLLOKOSA-N 2 1 268.420 3.123 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246579907 804423834 /nfs/dbraw/zinc/42/38/34/804423834.db2.gz VEKBJTUKBQJNOQ-GDBMZVCRSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246582999 804427242 /nfs/dbraw/zinc/42/72/42/804427242.db2.gz PUAOUPSYBIMHIK-CHWSQXEVSA-N 2 1 298.833 3.471 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)CC2)CC[NH2+]1 ZINC001246587244 804429354 /nfs/dbraw/zinc/42/93/54/804429354.db2.gz QBSJSGXIKNDENJ-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246589435 804431182 /nfs/dbraw/zinc/43/11/82/804431182.db2.gz FFYGDXBDTLNJQV-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246589247 804432462 /nfs/dbraw/zinc/43/24/62/804432462.db2.gz DQBUBSFWKMAULB-KZNAEPCWSA-N 3 1 295.515 3.150 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246589247 804432464 /nfs/dbraw/zinc/43/24/64/804432464.db2.gz DQBUBSFWKMAULB-KZNAEPCWSA-N 3 1 295.515 3.150 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246590503 804433518 /nfs/dbraw/zinc/43/35/18/804433518.db2.gz UQWBABPLWKYIJL-BPUTZDHNSA-N 2 1 296.455 3.237 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246590503 804433522 /nfs/dbraw/zinc/43/35/22/804433522.db2.gz UQWBABPLWKYIJL-BPUTZDHNSA-N 2 1 296.455 3.237 20 0 CGADMP CC(C)[N@@H+]([C@@H]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246590608 804433667 /nfs/dbraw/zinc/43/36/67/804433667.db2.gz HJHRJGDMFRTWPB-BZUAXINKSA-N 2 1 252.446 3.418 20 0 CGADMP CC1(C)CC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC(C)(C)O1 ZINC001246593325 804434525 /nfs/dbraw/zinc/43/45/25/804434525.db2.gz MCQCKCWRFJQXMW-KRWDZBQOSA-N 2 1 282.472 3.174 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246593382 804435831 /nfs/dbraw/zinc/43/58/31/804435831.db2.gz MQNMDYDODSFEPZ-XWTMOSNGSA-N 3 1 295.515 3.148 20 0 CGADMP CC[C@@H]1C[C@H](N(C(C)C)[C@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246593382 804435834 /nfs/dbraw/zinc/43/58/34/804435834.db2.gz MQNMDYDODSFEPZ-XWTMOSNGSA-N 2 1 295.515 3.148 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246607776 804442894 /nfs/dbraw/zinc/44/28/94/804442894.db2.gz FJNYHQHEFTVTDA-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246607776 804442902 /nfs/dbraw/zinc/44/29/02/804442902.db2.gz FJNYHQHEFTVTDA-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)C1CCC([N@@H+]2CCC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246608618 804443047 /nfs/dbraw/zinc/44/30/47/804443047.db2.gz HSVMFIAEXGLTAK-GPANFISMSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246608618 804443051 /nfs/dbraw/zinc/44/30/51/804443051.db2.gz HSVMFIAEXGLTAK-GPANFISMSA-N 2 1 250.430 3.029 20 0 CGADMP CSCC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246609359 804443165 /nfs/dbraw/zinc/44/31/65/804443165.db2.gz MRJCSXJIRNWLOM-CVEARBPZSA-N 2 1 284.513 3.374 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([NH+]3CCC4(CCCC[NH2+]4)CC3)C[C@@H]21 ZINC001246609701 804444362 /nfs/dbraw/zinc/44/43/62/804444362.db2.gz JDXRNXDHGQBVRY-QDMKHBRRSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246611478 804444755 /nfs/dbraw/zinc/44/47/55/804444755.db2.gz QCLBXRAYYDLXRG-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246611478 804444757 /nfs/dbraw/zinc/44/47/57/804444757.db2.gz QCLBXRAYYDLXRG-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC4(CCCC[NH2+]4)CC3)C[C@@H]21 ZINC001246609704 804445159 /nfs/dbraw/zinc/44/51/59/804445159.db2.gz JDXRNXDHGQBVRY-QKDCVEJESA-N 2 1 262.441 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)C[C@H]1C ZINC001246611598 804445606 /nfs/dbraw/zinc/44/56/06/804445606.db2.gz GQTVJNMKWKMXNW-NCOADZHNSA-N 2 1 264.457 3.419 20 0 CGADMP C1CC2(CCCCC2)[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246613534 804446388 /nfs/dbraw/zinc/44/63/88/804446388.db2.gz LKGUXUFVJAKACT-HZPDHXFCSA-N 2 1 262.441 3.317 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246614679 804447969 /nfs/dbraw/zinc/44/79/69/804447969.db2.gz UGJOUSDRKZSODO-VQTJNVASSA-N 2 1 298.474 3.318 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246615093 804448350 /nfs/dbraw/zinc/44/83/50/804448350.db2.gz CGGDXFRAQJUSHL-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246615093 804448354 /nfs/dbraw/zinc/44/83/54/804448354.db2.gz CGGDXFRAQJUSHL-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614694 804449184 /nfs/dbraw/zinc/44/91/84/804449184.db2.gz PHUURWUVYXQQGQ-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)C1 ZINC001246616434 804449664 /nfs/dbraw/zinc/44/96/64/804449664.db2.gz WHKKOKMWGZMOLG-ZBFHGGJFSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246616293 804450498 /nfs/dbraw/zinc/45/04/98/804450498.db2.gz GXWIWDSOUSYWLI-WMLDXEAASA-N 2 1 292.854 3.489 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246616293 804450503 /nfs/dbraw/zinc/45/05/03/804450503.db2.gz GXWIWDSOUSYWLI-WMLDXEAASA-N 2 1 292.854 3.489 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617192 804452051 /nfs/dbraw/zinc/45/20/51/804452051.db2.gz YIQSTLZEKKTJOH-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617192 804452053 /nfs/dbraw/zinc/45/20/53/804452053.db2.gz YIQSTLZEKKTJOH-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP c1ccc([C@H]2C[N@H+](C3CCC4(CC4)CC3)CC23C[NH2+]C3)cc1 ZINC001246622902 804455508 /nfs/dbraw/zinc/45/55/08/804455508.db2.gz KLRZXDDAAAOZOU-GOSISDBHSA-N 2 1 296.458 3.398 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC23CCCC3)C[C@H](CC)[NH2+]1 ZINC001246622073 804455793 /nfs/dbraw/zinc/45/57/93/804455793.db2.gz GEONDPOZQRTXQF-FICVDOATSA-N 2 1 250.430 3.314 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246624198 804457360 /nfs/dbraw/zinc/45/73/60/804457360.db2.gz COGIQNNSERCVTR-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631021 804460488 /nfs/dbraw/zinc/46/04/88/804460488.db2.gz NQUPKGRSYKSSCH-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246632494 804462720 /nfs/dbraw/zinc/46/27/20/804462720.db2.gz VXVJIQMEOTWDSJ-WMLDXEAASA-N 2 1 292.854 3.347 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)cc1 ZINC001246633152 804464004 /nfs/dbraw/zinc/46/40/04/804464004.db2.gz DWNWEVPVTILTFW-ZUPWUQBJSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)cc1 ZINC001246633152 804464005 /nfs/dbraw/zinc/46/40/05/804464005.db2.gz DWNWEVPVTILTFW-ZUPWUQBJSA-N 2 1 298.474 3.472 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH+]2CCC3(CC3)CC2)CC[NH2+]1 ZINC001246642139 804469365 /nfs/dbraw/zinc/46/93/65/804469365.db2.gz KUDXSZGYCRHXNR-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246642566 804470434 /nfs/dbraw/zinc/47/04/34/804470434.db2.gz CJFVQAADWLPQMC-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3CC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246643715 804470776 /nfs/dbraw/zinc/47/07/76/804470776.db2.gz CPQFDSYGUNMSDN-WNRNVDISSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246644622 804471662 /nfs/dbraw/zinc/47/16/62/804471662.db2.gz RQFIGOUERITJIA-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246644358 804472647 /nfs/dbraw/zinc/47/26/47/804472647.db2.gz GTDXPGSLFUIEOP-YCHGYYGWSA-N 2 1 270.420 3.136 20 0 CGADMP CC(C)C1CCC([N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246645798 804473931 /nfs/dbraw/zinc/47/39/31/804473931.db2.gz VGPBPKHYZBVGIV-OFLPRAFFSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC23CC[NH2+]CC3)C[C@H]1C ZINC001246646210 804474224 /nfs/dbraw/zinc/47/42/24/804474224.db2.gz PACPLOQRUHFBIT-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246648089 804476042 /nfs/dbraw/zinc/47/60/42/804476042.db2.gz OILGHQIKHCNQQS-ZSYWTGECSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3CC[C@H]4C[NH2+][C@H]4C3)C2)cc1 ZINC001246649271 804476873 /nfs/dbraw/zinc/47/68/73/804476873.db2.gz XDEWTIJCSJDTHG-XSLAGTTESA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@H]4C[NH2+][C@H]4C3)C2)cc1 ZINC001246649271 804476876 /nfs/dbraw/zinc/47/68/76/804476876.db2.gz XDEWTIJCSJDTHG-XSLAGTTESA-N 2 1 270.420 3.007 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246653241 804479155 /nfs/dbraw/zinc/47/91/55/804479155.db2.gz RPUCEKPQAZTAGM-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246653241 804479156 /nfs/dbraw/zinc/47/91/56/804479156.db2.gz RPUCEKPQAZTAGM-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP C1C[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@@H]2C1 ZINC001246653451 804480520 /nfs/dbraw/zinc/48/05/20/804480520.db2.gz DUQZHAQXVHDBLQ-XNIRIUNOSA-N 2 1 262.441 3.031 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246660065 804483457 /nfs/dbraw/zinc/48/34/57/804483457.db2.gz OGKPIIOJFYVEEB-GUDVDZBRSA-N 2 1 286.463 3.472 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@H]4C[NH2+]CC[C@H]43)C2)cc1 ZINC001246669900 804488664 /nfs/dbraw/zinc/48/86/64/804488664.db2.gz CLXLYEATZTUGLU-ZJPYXAASSA-N 2 1 270.420 3.007 20 0 CGADMP C1[NH2+]CC1[C@@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246678281 804493422 /nfs/dbraw/zinc/49/34/22/804493422.db2.gz LHTJOMPMKNKIBJ-NVXWUHKLSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@H]1CC[C@H]([N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1 ZINC001246683448 804496341 /nfs/dbraw/zinc/49/63/41/804496341.db2.gz JYIIWNJTSCLITO-KANFNMMFSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)CC(C)(C)C1 ZINC001246688710 804497274 /nfs/dbraw/zinc/49/72/74/804497274.db2.gz HFTXLFOKSWPOJJ-DLTWYDFYSA-N 2 1 282.447 3.225 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246693762 804498627 /nfs/dbraw/zinc/49/86/27/804498627.db2.gz QPRMWSDZFBMRNW-DLBZAZTESA-N 2 1 284.463 3.471 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692190 804499648 /nfs/dbraw/zinc/49/96/48/804499648.db2.gz MZOFIMHQMBGUFA-HRCADAONSA-N 2 1 270.436 3.225 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246768936 804502479 /nfs/dbraw/zinc/50/24/79/804502479.db2.gz HBKVZJBAOXFTNB-ZWKOTPCHSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1CC([N@@H+](C)Cc2cccc(Cl)c2)C[C@H](C)[NH2+]1 ZINC001246770982 804502881 /nfs/dbraw/zinc/50/28/81/804502881.db2.gz UJYNNUHCNJBDJC-RYUDHWBXSA-N 2 1 266.816 3.301 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246778397 804505786 /nfs/dbraw/zinc/50/57/86/804505786.db2.gz VCZXBMYIEQSCER-GOSISDBHSA-N 2 1 298.474 3.473 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246782595 804507610 /nfs/dbraw/zinc/50/76/10/804507610.db2.gz SZUCMZHVKVOGGZ-PVAVHDDUSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246782595 804507613 /nfs/dbraw/zinc/50/76/13/804507613.db2.gz SZUCMZHVKVOGGZ-PVAVHDDUSA-N 2 1 258.409 3.272 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2cccs2)C[C@H](CC)[NH2+]1 ZINC001246783610 804509464 /nfs/dbraw/zinc/50/94/64/804509464.db2.gz PMESBNDDQLWEFL-BTTYYORXSA-N 2 1 266.454 3.489 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccs2)C[C@H](CC)[NH2+]1 ZINC001246783610 804509466 /nfs/dbraw/zinc/50/94/66/804509466.db2.gz PMESBNDDQLWEFL-BTTYYORXSA-N 2 1 266.454 3.489 20 0 CGADMP COCC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246785185 804512182 /nfs/dbraw/zinc/51/21/82/804512182.db2.gz JSXJZDVCNQGECO-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP c1ccc(C2CCC([N@H+]3CCCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246790828 804513553 /nfs/dbraw/zinc/51/35/53/804513553.db2.gz HTYISKCFZJIMGU-UHFFFAOYSA-N 2 1 284.447 3.398 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789024 804514110 /nfs/dbraw/zinc/51/41/10/804514110.db2.gz ANUAAKXLZWEFJS-SFHVURJKSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@H]1C ZINC001246788653 804514153 /nfs/dbraw/zinc/51/41/53/804514153.db2.gz HQUULZYXMGSAKF-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+]([C@@H](C)CSc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246797361 804519317 /nfs/dbraw/zinc/51/93/17/804519317.db2.gz OFYLYUNWQBWJRZ-ZDUSSCGKSA-N 2 1 296.455 3.380 20 0 CGADMP C[N@H+](CC(C)(C)C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246796881 804519403 /nfs/dbraw/zinc/51/94/03/804519403.db2.gz MGDASJNRNXHAEH-CVEARBPZSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246796881 804519406 /nfs/dbraw/zinc/51/94/06/804519406.db2.gz MGDASJNRNXHAEH-CVEARBPZSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@@H+](CCc1cccs1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246796907 804519881 /nfs/dbraw/zinc/51/98/81/804519881.db2.gz NTNQZGKDDOWWTG-UKRRQHHQSA-N 2 1 280.481 3.389 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001246809773 804526248 /nfs/dbraw/zinc/52/62/48/804526248.db2.gz SNZLLJPYQXULCX-NPJQDHAYSA-N 2 1 252.446 3.401 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001246810549 804526431 /nfs/dbraw/zinc/52/64/31/804526431.db2.gz NWJXLQAGNKPXTO-KCITZHQASA-N 2 1 286.463 3.470 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(F)cc2)CC[NH2+]1 ZINC001246820497 804535794 /nfs/dbraw/zinc/53/57/94/804535794.db2.gz GNJJAHYACQWXSX-IRXDYDNUSA-N 2 1 278.415 3.077 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C1 ZINC001246828196 804538222 /nfs/dbraw/zinc/53/82/22/804538222.db2.gz ZRWRLVWXIZPJCI-WOPDTQHZSA-N 2 1 278.362 3.167 20 0 CGADMP CC1(C)CCC[C@H]([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C1 ZINC001246828196 804538225 /nfs/dbraw/zinc/53/82/25/804538225.db2.gz ZRWRLVWXIZPJCI-WOPDTQHZSA-N 2 1 278.362 3.167 20 0 CGADMP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@@H+](C2CCCCCCC2)C1 ZINC001246827587 804538262 /nfs/dbraw/zinc/53/82/62/804538262.db2.gz OPFHMGGXWKJKBZ-NEPJUHHUSA-N 2 1 278.362 3.311 20 0 CGADMP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@H+](C2CCCCCCC2)C1 ZINC001246827587 804538265 /nfs/dbraw/zinc/53/82/65/804538265.db2.gz OPFHMGGXWKJKBZ-NEPJUHHUSA-N 2 1 278.362 3.311 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246840106 804548149 /nfs/dbraw/zinc/54/81/49/804548149.db2.gz FDSNMUXPQIPMIA-HRCADAONSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246838978 804548506 /nfs/dbraw/zinc/54/85/06/804548506.db2.gz KYJBEDGXWHCQAZ-OGWHTMIXSA-N 2 1 286.463 3.328 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246841069 804550307 /nfs/dbraw/zinc/55/03/07/804550307.db2.gz LWJNOIOVPMYNAU-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246842317 804550366 /nfs/dbraw/zinc/55/03/66/804550366.db2.gz YLLPSAPPGLNSEF-AEFFLSMTSA-N 2 1 290.451 3.294 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246844328 804552138 /nfs/dbraw/zinc/55/21/38/804552138.db2.gz IWETXJUAVJBGKS-NEPJUHHUSA-N 2 1 284.806 3.223 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246846573 804556247 /nfs/dbraw/zinc/55/62/47/804556247.db2.gz OSEWJYOOHNXWER-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246846573 804556253 /nfs/dbraw/zinc/55/62/53/804556253.db2.gz OSEWJYOOHNXWER-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](C)CC2CCCCC2)CC[NH2+]1 ZINC001246847311 804556803 /nfs/dbraw/zinc/55/68/03/804556803.db2.gz SPCDBMWUYXFDPU-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246848607 804558894 /nfs/dbraw/zinc/55/88/94/804558894.db2.gz XAWCPOZWUNBZFI-IXDOHACOSA-N 2 1 294.483 3.392 20 0 CGADMP CC[C@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246850612 804560575 /nfs/dbraw/zinc/56/05/75/804560575.db2.gz UXTZLFVSEQYLQP-GTPINHCMSA-N 2 1 264.457 3.421 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849573 804560792 /nfs/dbraw/zinc/56/07/92/804560792.db2.gz GHGQDLQAXLQELA-GDBMZVCRSA-N 2 1 278.827 3.271 20 0 CGADMP Clc1ccc([C@@H]2CC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849573 804560802 /nfs/dbraw/zinc/56/08/02/804560802.db2.gz GHGQDLQAXLQELA-GDBMZVCRSA-N 2 1 278.827 3.271 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246856206 804563447 /nfs/dbraw/zinc/56/34/47/804563447.db2.gz ZQXIHRAEFCFUEE-QILLFSRXSA-N 2 1 290.426 3.221 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861964 804566352 /nfs/dbraw/zinc/56/63/52/804566352.db2.gz SMTWITPMIFDNMR-LVYZTWJOSA-N 2 1 282.472 3.031 20 0 CGADMP CCCCCC[C@@H](CCC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861964 804566359 /nfs/dbraw/zinc/56/63/59/804566359.db2.gz SMTWITPMIFDNMR-LVYZTWJOSA-N 2 1 282.472 3.031 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246864088 804567777 /nfs/dbraw/zinc/56/77/77/804567777.db2.gz NBLCTNQZBOOTLD-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246866520 804569163 /nfs/dbraw/zinc/56/91/63/804569163.db2.gz KSFGWXHCXXNVGW-NVXWUHKLSA-N 2 1 270.420 3.138 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246867443 804569324 /nfs/dbraw/zinc/56/93/24/804569324.db2.gz XSEPDJVRWGLUOK-OAHLLOKOSA-N 2 1 264.388 3.178 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246866290 804569348 /nfs/dbraw/zinc/56/93/48/804569348.db2.gz JABXLEUWAUQPML-NVXWUHKLSA-N 2 1 258.409 3.138 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246866907 804569828 /nfs/dbraw/zinc/56/98/28/804569828.db2.gz VAXGUBAZZNQYDG-YWVIFJGQSA-N 2 1 264.388 3.177 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@@H]1C ZINC001246871176 804573487 /nfs/dbraw/zinc/57/34/87/804573487.db2.gz CUEZWSOODUKNAT-PPLKHSGQSA-N 2 1 298.474 3.284 20 0 CGADMP CCCCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880747 804576028 /nfs/dbraw/zinc/57/60/28/804576028.db2.gz QSHKPERLUXMDCJ-UHOSZYNNSA-N 2 1 286.463 3.428 20 0 CGADMP Fc1ccc2c(c1)CC[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246883587 804579164 /nfs/dbraw/zinc/57/91/64/804579164.db2.gz XBKCAPYKKWIAQP-QZTJIDSGSA-N 2 1 288.410 3.106 20 0 CGADMP CCC[N@@H+]([C@@H]1Cc2ccc(Cl)cc2C1)C1CC[NH2+]CC1 ZINC001246895668 804585163 /nfs/dbraw/zinc/58/51/63/804585163.db2.gz VMZNOJAMXBZDGH-QGZVFWFLSA-N 2 1 292.854 3.271 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)CC23CC3)C[C@H](CC)[NH2+]1 ZINC001246894420 804585558 /nfs/dbraw/zinc/58/55/58/804585558.db2.gz NOKJCQWROMHASU-XQLPTFJDSA-N 2 1 250.430 3.170 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246901543 804588432 /nfs/dbraw/zinc/58/84/32/804588432.db2.gz NYLFGXZXXBAKOX-IUODEOHRSA-N 2 1 266.816 3.302 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(C(C)(C)C)c1)C2 ZINC001141105965 804589728 /nfs/dbraw/zinc/58/97/28/804589728.db2.gz HIDYCHMOEPCKQM-IEBWSBKVSA-N 2 1 286.463 3.368 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC001246907933 804591304 /nfs/dbraw/zinc/59/13/04/804591304.db2.gz KLQTVFIHSMEZSP-BCDXTJNWSA-N 2 1 272.436 3.408 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)CC[NH2+]1 ZINC001246906236 804591339 /nfs/dbraw/zinc/59/13/39/804591339.db2.gz DEDYTDZHXJUOFG-IRXDYDNUSA-N 2 1 260.425 3.266 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246910828 804594499 /nfs/dbraw/zinc/59/44/99/804594499.db2.gz MFBYCEKDSDHHMI-QGZVFWFLSA-N 2 1 290.426 3.222 20 0 CGADMP c1ccc(C[C@H]2C[C@H]([N@@H+](CC3CC3)C3CC3)CC[NH2+]2)cc1 ZINC001246915794 804598742 /nfs/dbraw/zinc/59/87/42/804598742.db2.gz YXECUWOFZVWLMZ-PKOBYXMFSA-N 2 1 284.447 3.224 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001246919242 804600469 /nfs/dbraw/zinc/60/04/69/804600469.db2.gz FXKXTRKHJGPKHT-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC(CCCCC)[N@@H+]1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001246919242 804600473 /nfs/dbraw/zinc/60/04/73/804600473.db2.gz FXKXTRKHJGPKHT-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP C1CC2(C1)C[C@@H]([N@@H+]1CCC[C@H]3CCCC[C@@H]31)CC[NH2+]2 ZINC001246922893 804602159 /nfs/dbraw/zinc/60/21/59/804602159.db2.gz YSNXOQBRYKPHFC-PMPSAXMXSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)C[C@@H]([N@H+]1CCC[C@H]3CCCC[C@@H]31)CC[NH2+]2 ZINC001246922893 804602165 /nfs/dbraw/zinc/60/21/65/804602165.db2.gz YSNXOQBRYKPHFC-PMPSAXMXSA-N 2 1 262.441 3.316 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@H]([NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC001246931967 804607348 /nfs/dbraw/zinc/60/73/48/804607348.db2.gz GDVXFBOMZHMUFI-PQAZSJQKSA-N 2 1 292.389 3.413 20 0 CGADMP CCCCCC[C@@H](C)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246949939 804616487 /nfs/dbraw/zinc/61/64/87/804616487.db2.gz MDEXPIPXNYQEGM-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC001246964230 804619381 /nfs/dbraw/zinc/61/93/81/804619381.db2.gz BXKXUSOBZOWSIJ-GDBMZVCRSA-N 2 1 278.465 3.146 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246967217 804620362 /nfs/dbraw/zinc/62/03/62/804620362.db2.gz MKVWBNLMABDUDA-UAGQMJEPSA-N 2 1 258.409 3.354 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCC(C)(C)C1 ZINC001246975809 804624859 /nfs/dbraw/zinc/62/48/59/804624859.db2.gz PGADJOCMNRNZCS-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1cc(F)cc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246999662 804633859 /nfs/dbraw/zinc/63/38/59/804633859.db2.gz DEKNSMBVGLYCKW-FCLJQHQZSA-N 2 1 292.373 3.385 20 0 CGADMP Fc1cc(F)cc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246999662 804633863 /nfs/dbraw/zinc/63/38/63/804633863.db2.gz DEKNSMBVGLYCKW-FCLJQHQZSA-N 2 1 292.373 3.385 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247006258 804637109 /nfs/dbraw/zinc/63/71/09/804637109.db2.gz XMSMJNBPDTWMGW-CJNGLKHVSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H](CC1CC1)[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001247012225 804640700 /nfs/dbraw/zinc/64/07/00/804640700.db2.gz CXPWCBPFYSIXSQ-AWEZNQCLSA-N 2 1 270.420 3.270 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001141577707 804653252 /nfs/dbraw/zinc/65/32/52/804653252.db2.gz PSRJBAJMMXVUAG-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001141577707 804653257 /nfs/dbraw/zinc/65/32/57/804653257.db2.gz PSRJBAJMMXVUAG-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3[nH]cnc32)CC1 ZINC001142696133 804760007 /nfs/dbraw/zinc/76/00/07/804760007.db2.gz HXMZULWHRZCKOQ-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(C)c1F ZINC001143377573 804842223 /nfs/dbraw/zinc/84/22/23/804842223.db2.gz ADQLJAAUAMWKSE-UHFFFAOYSA-N 2 1 278.415 3.360 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(C)c1F ZINC001143377573 804842225 /nfs/dbraw/zinc/84/22/25/804842225.db2.gz ADQLJAAUAMWKSE-UHFFFAOYSA-N 2 1 278.415 3.360 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001143593045 804874460 /nfs/dbraw/zinc/87/44/60/804874460.db2.gz ZIPMRCDGQBEVFR-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(CC)c1 ZINC001144326466 804973874 /nfs/dbraw/zinc/97/38/74/804973874.db2.gz AVTUAFMQOIDQPT-UHFFFAOYSA-N 2 1 262.441 3.413 20 0 CGADMP CCSc1ccccc1C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001249440566 805150961 /nfs/dbraw/zinc/15/09/61/805150961.db2.gz SPDWZNDLKQNIGA-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCSc1ccccc1C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001249440566 805150962 /nfs/dbraw/zinc/15/09/62/805150962.db2.gz SPDWZNDLKQNIGA-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCSc1ccccc1C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001249440566 805150965 /nfs/dbraw/zinc/15/09/65/805150965.db2.gz SPDWZNDLKQNIGA-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCSc1ccccc1C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001249440566 805150967 /nfs/dbraw/zinc/15/09/67/805150967.db2.gz SPDWZNDLKQNIGA-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP C[N@H+](Cc1cc(F)cc2cc[nH]c21)CC1CC[NH+](C)CC1 ZINC001249524258 805164878 /nfs/dbraw/zinc/16/48/78/805164878.db2.gz QXTZRWURJJDHSL-UHFFFAOYSA-N 2 1 289.398 3.081 20 0 CGADMP c1ccc([C@H]2CC[N@@H+]2C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001256861602 806993492 /nfs/dbraw/zinc/99/34/92/806993492.db2.gz RRGCAPAKKVTFNG-LJQANCHMSA-N 2 1 293.414 3.497 20 0 CGADMP F[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256894885 806999720 /nfs/dbraw/zinc/99/97/20/806999720.db2.gz NPAVAKLJOJEXMW-QLFBSQMISA-N 2 1 268.420 3.264 20 0 CGADMP F[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256894885 806999724 /nfs/dbraw/zinc/99/97/24/806999724.db2.gz NPAVAKLJOJEXMW-QLFBSQMISA-N 2 1 268.420 3.264 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001165432975 807002955 /nfs/dbraw/zinc/00/29/55/807002955.db2.gz VQMIJOYHBFSSRB-BBRMVZONSA-N 2 1 299.393 3.056 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC001257214946 807062745 /nfs/dbraw/zinc/06/27/45/807062745.db2.gz OWBIOYCXIAJKCX-KRWDZBQOSA-N 2 1 272.436 3.349 20 0 CGADMP COc1cccc(CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC001257217531 807064925 /nfs/dbraw/zinc/06/49/25/807064925.db2.gz OCRLCGMEEYRPQW-UHFFFAOYSA-N 2 1 290.451 3.042 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257369157 807127279 /nfs/dbraw/zinc/12/72/79/807127279.db2.gz OINOLLJRMGGMML-FGTMMUONSA-N 2 1 295.515 3.056 20 0 CGADMP CCCC[C@@H](CC)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001257422251 807147236 /nfs/dbraw/zinc/14/72/36/807147236.db2.gz SXCVDMSERZUSPM-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001257452308 807163401 /nfs/dbraw/zinc/16/34/01/807163401.db2.gz QEJCTRHDAXHZDG-HNNXBMFYSA-N 2 1 260.425 3.416 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC001167838339 807259144 /nfs/dbraw/zinc/25/91/44/807259144.db2.gz TWZAOGAXANECNY-MRXNPFEDSA-N 2 1 277.456 3.414 20 0 CGADMP [NH3+]CCc1c[nH+]cn1C1CCC(c2ccccc2)CC1 ZINC001257987417 807260505 /nfs/dbraw/zinc/26/05/05/807260505.db2.gz RZFAIOMDUOGQEG-UHFFFAOYSA-N 2 1 269.392 3.283 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]CC2(F)CCCCC2)CC1 ZINC001258001475 807263598 /nfs/dbraw/zinc/26/35/98/807263598.db2.gz SDRNVVGGCRHGHW-UHFFFAOYSA-N 2 1 270.436 3.369 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](C)CC2)CC1 ZINC001258013365 807266315 /nfs/dbraw/zinc/26/63/15/807266315.db2.gz PHTOFLYCXMQZDH-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H]1CCCC[N@H+]1C1CC[NH+](CC(C)C)CC1 ZINC001258017104 807267592 /nfs/dbraw/zinc/26/75/92/807267592.db2.gz RCQSUJQFXOJOPT-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167956119 807284513 /nfs/dbraw/zinc/28/45/13/807284513.db2.gz JSPAIRULDIDLOQ-CENDIDJXSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167956119 807284516 /nfs/dbraw/zinc/28/45/16/807284516.db2.gz JSPAIRULDIDLOQ-CENDIDJXSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167956119 807284520 /nfs/dbraw/zinc/28/45/20/807284520.db2.gz JSPAIRULDIDLOQ-CENDIDJXSA-N 2 1 296.458 3.239 20 0 CGADMP F[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167982869 807290665 /nfs/dbraw/zinc/29/06/65/807290665.db2.gz CYELMWPAEYEMMK-PMRDEQMMSA-N 2 1 280.431 3.216 20 0 CGADMP F[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167982869 807290675 /nfs/dbraw/zinc/29/06/75/807290675.db2.gz CYELMWPAEYEMMK-PMRDEQMMSA-N 2 1 280.431 3.216 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258073770 807290870 /nfs/dbraw/zinc/29/08/70/807290870.db2.gz GBNVZJZTMNYGME-GVDBMIGSSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258073770 807290875 /nfs/dbraw/zinc/29/08/75/807290875.db2.gz GBNVZJZTMNYGME-GVDBMIGSSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258073770 807290885 /nfs/dbraw/zinc/29/08/85/807290885.db2.gz GBNVZJZTMNYGME-GVDBMIGSSA-N 2 1 266.473 3.475 20 0 CGADMP FC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC001258137068 807319210 /nfs/dbraw/zinc/31/92/10/807319210.db2.gz DDOKSSOJHOKWTG-UHFFFAOYSA-N 2 1 290.426 3.175 20 0 CGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H](C)C1 ZINC001258155807 807323933 /nfs/dbraw/zinc/32/39/33/807323933.db2.gz IOKXXBNIQNZNNJ-SOUVJXGZSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)C1 ZINC001258155807 807323941 /nfs/dbraw/zinc/32/39/41/807323941.db2.gz IOKXXBNIQNZNNJ-SOUVJXGZSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1CC([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)C1 ZINC001258167366 807332614 /nfs/dbraw/zinc/33/26/14/807332614.db2.gz INJGLANUMOXDJN-HUUCEWRRSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001168313365 807378809 /nfs/dbraw/zinc/37/88/09/807378809.db2.gz ALEWKJMNUDAJSX-WWDZGPRUSA-N 2 1 272.436 3.349 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cnc(Cl)s2)CC1 ZINC001168315336 807381273 /nfs/dbraw/zinc/38/12/73/807381273.db2.gz USYCERCYIDHDOZ-UHFFFAOYSA-N 2 1 287.860 3.101 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001168328161 807384673 /nfs/dbraw/zinc/38/46/73/807384673.db2.gz XZJSRGRYDFPCEM-ZLPCBKJTSA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001168329790 807386323 /nfs/dbraw/zinc/38/63/23/807386323.db2.gz IKUBYZRLZXROCD-ABHNRTSZSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1cncc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c1 ZINC001168372482 807396255 /nfs/dbraw/zinc/39/62/55/807396255.db2.gz YPESSKHMKROHAK-IBGZPJMESA-N 2 1 299.462 3.305 20 0 CGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168370958 807396302 /nfs/dbraw/zinc/39/63/02/807396302.db2.gz JDCKIVHGGODEQM-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)CCC[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001258286839 807397215 /nfs/dbraw/zinc/39/72/15/807397215.db2.gz MSZUMKPSXBBSBB-INIZCTEOSA-N 2 1 276.468 3.373 20 0 CGADMP C[C@@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)Cc2ccccc21 ZINC001168371014 807397991 /nfs/dbraw/zinc/39/79/91/807397991.db2.gz BNMDCHLYZFHPHF-OAHLLOKOSA-N 2 1 284.447 3.480 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168371783 807398098 /nfs/dbraw/zinc/39/80/98/807398098.db2.gz IOLBSMNXBFFFQL-UHFFFAOYSA-N 2 1 284.447 3.228 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168371783 807398109 /nfs/dbraw/zinc/39/81/09/807398109.db2.gz IOLBSMNXBFFFQL-UHFFFAOYSA-N 2 1 284.447 3.228 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258444435 807454111 /nfs/dbraw/zinc/45/41/11/807454111.db2.gz XCTJZLQBBXKXRM-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[C@H](CC)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258444435 807454119 /nfs/dbraw/zinc/45/41/19/807454119.db2.gz XCTJZLQBBXKXRM-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[C@H](CC)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258444435 807454121 /nfs/dbraw/zinc/45/41/21/807454121.db2.gz XCTJZLQBBXKXRM-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001258467986 807466276 /nfs/dbraw/zinc/46/62/76/807466276.db2.gz PZVYPWVTLVJNOZ-ZYSHUDEJSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@@H](CC1CC1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258467986 807466282 /nfs/dbraw/zinc/46/62/82/807466282.db2.gz PZVYPWVTLVJNOZ-ZYSHUDEJSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@@H](CC1CC1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258467986 807466286 /nfs/dbraw/zinc/46/62/86/807466286.db2.gz PZVYPWVTLVJNOZ-ZYSHUDEJSA-N 2 1 284.447 3.239 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168735440 807500251 /nfs/dbraw/zinc/50/02/51/807500251.db2.gz TTZROWUELFKYNA-OAHLLOKOSA-N 2 1 292.854 3.225 20 0 CGADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258619627 807513099 /nfs/dbraw/zinc/51/30/99/807513099.db2.gz UCVUHKHRKFBYHV-DOTOQJQBSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258619627 807513104 /nfs/dbraw/zinc/51/31/04/807513104.db2.gz UCVUHKHRKFBYHV-DOTOQJQBSA-N 2 1 287.451 3.009 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099912 807577056 /nfs/dbraw/zinc/57/70/56/807577056.db2.gz WPWGBSPICNBPGO-LVQVYYBASA-N 2 1 252.446 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(F)cc1)C2 ZINC001169108522 807578104 /nfs/dbraw/zinc/57/81/04/807578104.db2.gz AMXHRWFJXUARQD-MUJYYYPQSA-N 2 1 276.399 3.276 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1csc(Cl)c1)C2 ZINC001169106902 807578679 /nfs/dbraw/zinc/57/86/79/807578679.db2.gz AYDXBYZVGKLTNM-CNDDSTCGSA-N 2 1 270.829 3.116 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1csc(Cl)c1)C2 ZINC001169106902 807578684 /nfs/dbraw/zinc/57/86/84/807578684.db2.gz AYDXBYZVGKLTNM-CNDDSTCGSA-N 2 1 270.829 3.116 20 0 CGADMP COc1cccc(C(C)(C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169115297 807580600 /nfs/dbraw/zinc/58/06/00/807580600.db2.gz IHTFYRWGBNABFQ-PHZGNYQRSA-N 2 1 288.435 3.145 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(CC3CCC3)CC1)C2 ZINC001169115026 807581985 /nfs/dbraw/zinc/58/19/85/807581985.db2.gz HAMXMGGTCXUBFF-MUJYYYPQSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1cccc(Cl)c1C(=[NH2+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125299 807584977 /nfs/dbraw/zinc/58/49/77/807584977.db2.gz YMSHFYLAKYWZBB-XYYAHUGASA-N 2 1 291.826 3.189 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001169258540 807617149 /nfs/dbraw/zinc/61/71/49/807617149.db2.gz LSWIVJOCSYONES-QGZVFWFLSA-N 2 1 276.399 3.447 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001169258540 807617154 /nfs/dbraw/zinc/61/71/54/807617154.db2.gz LSWIVJOCSYONES-QGZVFWFLSA-N 2 1 276.399 3.447 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001169266597 807619498 /nfs/dbraw/zinc/61/94/98/807619498.db2.gz XGAOOXFJEIOYOZ-CQSZACIVSA-N 2 1 276.424 3.172 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001169266597 807619499 /nfs/dbraw/zinc/61/94/99/807619499.db2.gz XGAOOXFJEIOYOZ-CQSZACIVSA-N 2 1 276.424 3.172 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001258851003 807659156 /nfs/dbraw/zinc/65/91/56/807659156.db2.gz BQDMYTKCCVEWPV-QGZVFWFLSA-N 2 1 274.452 3.424 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001258906978 807672743 /nfs/dbraw/zinc/67/27/43/807672743.db2.gz CJRSFVNNSVMSNE-STQMWFEESA-N 2 1 280.378 3.176 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC001261482611 807748668 /nfs/dbraw/zinc/74/86/68/807748668.db2.gz SWMDZAMTMNDNLM-QGZVFWFLSA-N 2 1 289.467 3.092 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492822 807751342 /nfs/dbraw/zinc/75/13/42/807751342.db2.gz VQXWJVVDEHGSIZ-CYBMUJFWSA-N 2 1 294.389 3.491 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001261566364 807757978 /nfs/dbraw/zinc/75/79/78/807757978.db2.gz CFTPFODHTFJJLI-CABCVRRESA-N 2 1 288.439 3.194 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170117571 807764257 /nfs/dbraw/zinc/76/42/57/807764257.db2.gz MGLKQSWTXKGVBK-DDBAPUKQSA-N 2 1 287.451 3.342 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170196124 807792510 /nfs/dbraw/zinc/79/25/10/807792510.db2.gz RXAMVFAYKIPCPP-DDBAPUKQSA-N 2 1 294.483 3.459 20 0 CGADMP Cn1c[nH+]cc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170331472 807826091 /nfs/dbraw/zinc/82/60/91/807826091.db2.gz UTCINPAXIGZQCY-OSYLJGHBSA-N 2 1 296.418 3.028 20 0 CGADMP CC(C)C1(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001262378629 807863080 /nfs/dbraw/zinc/86/30/80/807863080.db2.gz HBNXKFZYHJVRES-JYJNAYRXSA-N 2 1 264.457 3.085 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)[C@H](C)C1 ZINC001170742095 807897272 /nfs/dbraw/zinc/89/72/72/807897272.db2.gz YJPSHTXZZNIGEL-IBEHDNSVSA-N 2 1 264.457 3.129 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170950401 807943119 /nfs/dbraw/zinc/94/31/19/807943119.db2.gz RPJRCVSVFJHJRD-MRXNPFEDSA-N 2 1 292.442 3.395 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170950401 807943125 /nfs/dbraw/zinc/94/31/25/807943125.db2.gz RPJRCVSVFJHJRD-MRXNPFEDSA-N 2 1 292.442 3.395 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014510 807960113 /nfs/dbraw/zinc/96/01/13/807960113.db2.gz ZEACETCMNWBAQZ-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014510 807960118 /nfs/dbraw/zinc/96/01/18/807960118.db2.gz ZEACETCMNWBAQZ-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171014715 807960295 /nfs/dbraw/zinc/96/02/95/807960295.db2.gz VCYGDZLBZAPHPS-CQSZACIVSA-N 2 1 280.843 3.257 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171097936 807983150 /nfs/dbraw/zinc/98/31/50/807983150.db2.gz ZIGYIWXBGOELOE-INIZCTEOSA-N 2 1 280.843 3.258 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001171665159 808116689 /nfs/dbraw/zinc/11/66/89/808116689.db2.gz LDBJUESTQGHMKB-SOLBZPMBSA-N 2 1 274.452 3.246 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001171665159 808116693 /nfs/dbraw/zinc/11/66/93/808116693.db2.gz LDBJUESTQGHMKB-SOLBZPMBSA-N 2 1 274.452 3.246 20 0 CGADMP COCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965812 808161514 /nfs/dbraw/zinc/16/15/14/808161514.db2.gz RRLPJKHMZFPLEI-QGZVFWFLSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1ccc(C)c(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172099804 808173006 /nfs/dbraw/zinc/17/30/06/808173006.db2.gz KLLQPCLMGIXQMH-REPLKXPHSA-N 2 1 286.463 3.451 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103168 808173889 /nfs/dbraw/zinc/17/38/89/808173889.db2.gz TZCPVBOHCWKABH-JONQDZQNSA-N 2 1 288.435 3.361 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103168 808173894 /nfs/dbraw/zinc/17/38/94/808173894.db2.gz TZCPVBOHCWKABH-JONQDZQNSA-N 2 1 288.435 3.361 20 0 CGADMP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102626 808174134 /nfs/dbraw/zinc/17/41/34/808174134.db2.gz NQVXCCKQOMXUJC-BJWYYQGGSA-N 2 1 276.399 3.239 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)C2 ZINC001172104888 808175102 /nfs/dbraw/zinc/17/51/02/808175102.db2.gz DXCJVWBMTPKWPL-IECFSIQFSA-N 2 1 270.420 3.147 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)C2 ZINC001172104888 808175104 /nfs/dbraw/zinc/17/51/04/808175104.db2.gz DXCJVWBMTPKWPL-IECFSIQFSA-N 2 1 270.420 3.147 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172108501 808176140 /nfs/dbraw/zinc/17/61/40/808176140.db2.gz AQCZHYGAJPYFOF-ZMMAXQRCSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172108501 808176142 /nfs/dbraw/zinc/17/61/42/808176142.db2.gz AQCZHYGAJPYFOF-ZMMAXQRCSA-N 2 1 299.462 3.446 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172107195 808176945 /nfs/dbraw/zinc/17/69/45/808176945.db2.gz UNQZLSOLYDWLNU-MHORFTMASA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172107195 808176948 /nfs/dbraw/zinc/17/69/48/808176948.db2.gz UNQZLSOLYDWLNU-MHORFTMASA-N 2 1 287.451 3.384 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccccc3C1)C2 ZINC001172105959 808177312 /nfs/dbraw/zinc/17/73/12/808177312.db2.gz LPZSIARXKFCHKU-AKHDSKFASA-N 2 1 284.447 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccccc3C1)C2 ZINC001172105959 808177315 /nfs/dbraw/zinc/17/73/15/808177315.db2.gz LPZSIARXKFCHKU-AKHDSKFASA-N 2 1 284.447 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CCC(F)(F)CC1)C2 ZINC001172108166 808177375 /nfs/dbraw/zinc/17/73/75/808177375.db2.gz QQQXZOFMNPLBPY-QKDCVEJESA-N 2 1 286.410 3.417 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172109392 808177911 /nfs/dbraw/zinc/17/79/11/808177911.db2.gz CYUYVZCSSJQMJB-ZJPYXAASSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172109392 808177914 /nfs/dbraw/zinc/17/79/14/808177914.db2.gz CYUYVZCSSJQMJB-ZJPYXAASSA-N 2 1 287.451 3.384 20 0 CGADMP Cn1ccc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc21 ZINC001172110092 808178184 /nfs/dbraw/zinc/17/81/84/808178184.db2.gz JZMKDZFJQKBTMG-NNZMDNLPSA-N 2 1 297.446 3.283 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc3ccncc31)C2 ZINC001172109274 808178630 /nfs/dbraw/zinc/17/86/30/808178630.db2.gz JKURRMYYWAOVDF-NNZMDNLPSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCc3ccccc31)C2 ZINC001172110646 808178888 /nfs/dbraw/zinc/17/88/88/808178888.db2.gz LEDSJGAPUMJOGM-FJIDUMEYSA-N 2 1 284.447 3.321 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)C2 ZINC001172109231 808178959 /nfs/dbraw/zinc/17/89/59/808178959.db2.gz IPZAGGMWWWKLGI-CUSZFKRNSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCc3ccccc31)C2 ZINC001172110650 808179065 /nfs/dbraw/zinc/17/90/65/808179065.db2.gz LEDSJGAPUMJOGM-TVFCKZIOSA-N 2 1 284.447 3.321 20 0 CGADMP COC1CCC(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172116503 808180298 /nfs/dbraw/zinc/18/02/98/808180298.db2.gz HPBJPCDYVYMTLH-GGZUSFGKSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115116 808180771 /nfs/dbraw/zinc/18/07/71/808180771.db2.gz URNXAGQGUJGYJP-MUJYYYPQSA-N 2 1 250.430 3.266 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115116 808180776 /nfs/dbraw/zinc/18/07/76/808180776.db2.gz URNXAGQGUJGYJP-MUJYYYPQSA-N 2 1 250.430 3.266 20 0 CGADMP C[NH+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115116 808180779 /nfs/dbraw/zinc/18/07/79/808180779.db2.gz URNXAGQGUJGYJP-MUJYYYPQSA-N 2 1 250.430 3.266 20 0 CGADMP C[NH+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115116 808180784 /nfs/dbraw/zinc/18/07/84/808180784.db2.gz URNXAGQGUJGYJP-MUJYYYPQSA-N 2 1 250.430 3.266 20 0 CGADMP C[N@H+](CC/C=C/c1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131222 808188400 /nfs/dbraw/zinc/18/84/00/808188400.db2.gz VHFQKLIJJSEDHD-AHAITQMDSA-N 2 1 299.462 3.432 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131222 808188406 /nfs/dbraw/zinc/18/84/06/808188406.db2.gz VHFQKLIJJSEDHD-AHAITQMDSA-N 2 1 299.462 3.432 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131222 808188412 /nfs/dbraw/zinc/18/84/12/808188412.db2.gz VHFQKLIJJSEDHD-AHAITQMDSA-N 2 1 299.462 3.432 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131222 808188419 /nfs/dbraw/zinc/18/84/19/808188419.db2.gz VHFQKLIJJSEDHD-AHAITQMDSA-N 2 1 299.462 3.432 20 0 CGADMP COCCC[NH+]1CCC([N@@H+]2CCCC3(CCCC3)C2)CC1 ZINC001172252485 808209476 /nfs/dbraw/zinc/20/94/76/808209476.db2.gz NYQZFCXUQMWFAW-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP COCCC[NH+]1CCC([N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001172252485 808209481 /nfs/dbraw/zinc/20/94/81/808209481.db2.gz NYQZFCXUQMWFAW-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172322090 808231921 /nfs/dbraw/zinc/23/19/21/808231921.db2.gz RQIOAXHCXLBJNB-CVEARBPZSA-N 2 1 272.477 3.292 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172322090 808231926 /nfs/dbraw/zinc/23/19/26/808231926.db2.gz RQIOAXHCXLBJNB-CVEARBPZSA-N 2 1 272.477 3.292 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172349073 808246732 /nfs/dbraw/zinc/24/67/32/808246732.db2.gz SMFJAIYEOYFADD-CABCVRRESA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172349073 808246733 /nfs/dbraw/zinc/24/67/33/808246733.db2.gz SMFJAIYEOYFADD-CABCVRRESA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172351991 808249592 /nfs/dbraw/zinc/24/95/92/808249592.db2.gz FHKSAAFLRDVDSR-KGLIPLIRSA-N 2 1 279.428 3.116 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@H]1C ZINC001172365657 808260594 /nfs/dbraw/zinc/26/05/94/808260594.db2.gz AOCDGLCGSRBYKD-BFYDXBDKSA-N 2 1 287.451 3.156 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546087 808375175 /nfs/dbraw/zinc/37/51/75/808375175.db2.gz JPHCMQCGZWKHRA-SJORKVTESA-N 2 1 260.425 3.384 20 0 CGADMP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC(C)(C)O1 ZINC001172653912 808409289 /nfs/dbraw/zinc/40/92/89/808409289.db2.gz PSGZFXSLHLMAAF-CQSZACIVSA-N 2 1 294.483 3.329 20 0 CGADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC(C)(C)O1 ZINC001172653912 808409294 /nfs/dbraw/zinc/40/92/94/808409294.db2.gz PSGZFXSLHLMAAF-CQSZACIVSA-N 2 1 294.483 3.329 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172837565 808453338 /nfs/dbraw/zinc/45/33/38/808453338.db2.gz HGUOAKFLLIJUPY-LJQANCHMSA-N 2 1 286.463 3.268 20 0 CGADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001173103853 808511001 /nfs/dbraw/zinc/51/10/01/808511001.db2.gz VZYUUZDZPHXDJT-FOIPXRHGSA-N 3 1 295.515 3.102 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC001173109671 808511679 /nfs/dbraw/zinc/51/16/79/808511679.db2.gz JJELUZRCEFPAIJ-ABHNRTSZSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001173109160 808512477 /nfs/dbraw/zinc/51/24/77/808512477.db2.gz YLUKIWFZIBECDZ-RYTJFDOTSA-N 2 1 264.457 3.371 20 0 CGADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001173264457 808570129 /nfs/dbraw/zinc/57/01/29/808570129.db2.gz SYOZACZHKPMCKL-NPJQDHAYSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001173264457 808570135 /nfs/dbraw/zinc/57/01/35/808570135.db2.gz SYOZACZHKPMCKL-NPJQDHAYSA-N 2 1 250.430 3.170 20 0 CGADMP CCSC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001173294122 808594093 /nfs/dbraw/zinc/59/40/93/808594093.db2.gz CLZXXAJJCKYAQB-HUUCEWRRSA-N 2 1 280.481 3.225 20 0 CGADMP CCSC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001173294116 808594120 /nfs/dbraw/zinc/59/41/20/808594120.db2.gz CLZXXAJJCKYAQB-GJZGRUSLSA-N 2 1 280.481 3.225 20 0 CGADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001173339532 808619803 /nfs/dbraw/zinc/61/98/03/808619803.db2.gz NZVMMHZSOCBQKT-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP CC(C)(C[NH3+])[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173683774 808664249 /nfs/dbraw/zinc/66/42/49/808664249.db2.gz GUXGVTYKKXOCFA-UHFFFAOYSA-N 2 1 272.436 3.140 20 0 CGADMP COCCC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001274940137 808892523 /nfs/dbraw/zinc/89/25/23/808892523.db2.gz VIPOQRJHLDHEAG-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP COCCC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001274940137 808892526 /nfs/dbraw/zinc/89/25/26/808892526.db2.gz VIPOQRJHLDHEAG-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP COCCC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001274940137 808892532 /nfs/dbraw/zinc/89/25/32/808892532.db2.gz VIPOQRJHLDHEAG-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](C[C@@H]3CC=CCC3)C2)C1 ZINC001275040632 808900247 /nfs/dbraw/zinc/90/02/47/808900247.db2.gz OYQFLKJWUJJLRL-SJORKVTESA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001275040632 808900252 /nfs/dbraw/zinc/90/02/52/808900252.db2.gz OYQFLKJWUJJLRL-SJORKVTESA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001275040632 808900255 /nfs/dbraw/zinc/90/02/55/808900255.db2.gz OYQFLKJWUJJLRL-SJORKVTESA-N 2 1 262.441 3.151 20 0 CGADMP CC(C)=CCC[C@@H](C)C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275058611 808901983 /nfs/dbraw/zinc/90/19/83/808901983.db2.gz VXDNZVFNCSGPSP-OAHLLOKOSA-N 2 1 250.430 3.006 20 0 CGADMP CC(C)=CCC[C@@H](C)C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275058611 808901988 /nfs/dbraw/zinc/90/19/88/808901988.db2.gz VXDNZVFNCSGPSP-OAHLLOKOSA-N 2 1 250.430 3.006 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCc1ccccc1)CC2 ZINC001275110325 808909586 /nfs/dbraw/zinc/90/95/86/808909586.db2.gz QIGLODAROPOBIS-UHFFFAOYSA-N 2 1 272.436 3.037 20 0 CGADMP COc1ccsc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275451120 808937698 /nfs/dbraw/zinc/93/76/98/808937698.db2.gz JXUKXDWGONSHCX-UHFFFAOYSA-N 2 1 294.464 3.065 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC001275858027 808971089 /nfs/dbraw/zinc/97/10/89/808971089.db2.gz QIDQQRJMYXMPAB-OAHLLOKOSA-N 2 1 264.438 3.056 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC001275858027 808971093 /nfs/dbraw/zinc/97/10/93/808971093.db2.gz QIDQQRJMYXMPAB-OAHLLOKOSA-N 2 1 264.438 3.056 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC001275858027 808971095 /nfs/dbraw/zinc/97/10/95/808971095.db2.gz QIDQQRJMYXMPAB-OAHLLOKOSA-N 2 1 264.438 3.056 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC001275858027 808971098 /nfs/dbraw/zinc/97/10/98/808971098.db2.gz QIDQQRJMYXMPAB-OAHLLOKOSA-N 2 1 264.438 3.056 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867196 808972452 /nfs/dbraw/zinc/97/24/52/808972452.db2.gz YBRLBBIOFHADHK-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867196 808972457 /nfs/dbraw/zinc/97/24/57/808972457.db2.gz YBRLBBIOFHADHK-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867196 808972460 /nfs/dbraw/zinc/97/24/60/808972460.db2.gz YBRLBBIOFHADHK-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001275912311 808975126 /nfs/dbraw/zinc/97/51/26/808975126.db2.gz QDMPXFUACFIMMD-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275912311 808975130 /nfs/dbraw/zinc/97/51/30/808975130.db2.gz QDMPXFUACFIMMD-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275912311 808975134 /nfs/dbraw/zinc/97/51/34/808975134.db2.gz QDMPXFUACFIMMD-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1 ZINC001275911771 808975422 /nfs/dbraw/zinc/97/54/22/808975422.db2.gz BEDTWLMPNMTHKX-UHFFFAOYSA-N 2 1 272.436 3.303 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c[nH]1 ZINC001276101802 808987288 /nfs/dbraw/zinc/98/72/88/808987288.db2.gz LPMHJEISMBPFGR-SFHVURJKSA-N 2 1 287.451 3.245 20 0 CGADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c[nH]1 ZINC001276101802 808987292 /nfs/dbraw/zinc/98/72/92/808987292.db2.gz LPMHJEISMBPFGR-SFHVURJKSA-N 2 1 287.451 3.245 20 0 CGADMP c1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c[nH]1 ZINC001276101802 808987298 /nfs/dbraw/zinc/98/72/98/808987298.db2.gz LPMHJEISMBPFGR-SFHVURJKSA-N 2 1 287.451 3.245 20 0 CGADMP c1cc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c[nH]1 ZINC001276101802 808987302 /nfs/dbraw/zinc/98/73/02/808987302.db2.gz LPMHJEISMBPFGR-SFHVURJKSA-N 2 1 287.451 3.245 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276362637 809004270 /nfs/dbraw/zinc/00/42/70/809004270.db2.gz HICZEJUDZPUPEI-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)c2ccccc12 ZINC001276391301 809005546 /nfs/dbraw/zinc/00/55/46/809005546.db2.gz PQFCEJSFKDVFLY-MQVJKMGUSA-N 2 1 296.414 3.260 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)o1 ZINC001276469248 809011094 /nfs/dbraw/zinc/01/10/94/809011094.db2.gz AQQROTWPDQPYOO-MAUKXSAKSA-N 2 1 290.451 3.499 20 0 CGADMP Cc1ccc([C@@H](C)CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC001276469248 809011101 /nfs/dbraw/zinc/01/11/01/809011101.db2.gz AQQROTWPDQPYOO-MAUKXSAKSA-N 2 1 290.451 3.499 20 0 CGADMP Cc1ccc([C@@H](C)CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC001276469248 809011108 /nfs/dbraw/zinc/01/11/08/809011108.db2.gz AQQROTWPDQPYOO-MAUKXSAKSA-N 2 1 290.451 3.499 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)CC1 ZINC001276473036 809013165 /nfs/dbraw/zinc/01/31/65/809013165.db2.gz UIEHIJNADUUQLN-DLBZAZTESA-N 2 1 276.468 3.397 20 0 CGADMP Cc1c2ccccc2[nH]c1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276593534 809018553 /nfs/dbraw/zinc/01/85/53/809018553.db2.gz ISSFCSMZVLLSJK-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276593534 809018561 /nfs/dbraw/zinc/01/85/61/809018561.db2.gz ISSFCSMZVLLSJK-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276593534 809018569 /nfs/dbraw/zinc/01/85/69/809018569.db2.gz ISSFCSMZVLLSJK-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276593534 809018578 /nfs/dbraw/zinc/01/85/78/809018578.db2.gz ISSFCSMZVLLSJK-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276593534 809018585 /nfs/dbraw/zinc/01/85/85/809018585.db2.gz ISSFCSMZVLLSJK-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(Cl)cc1 ZINC001276747329 809027084 /nfs/dbraw/zinc/02/70/84/809027084.db2.gz ZMPGBJOJRFBPPA-ALOPSCKCSA-N 2 1 292.854 3.487 20 0 CGADMP CC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277808583 809098902 /nfs/dbraw/zinc/09/89/02/809098902.db2.gz ZMYMWYIDCSTBFT-OAGGEKHMSA-N 2 1 264.457 3.371 20 0 CGADMP CC[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277808583 809098909 /nfs/dbraw/zinc/09/89/09/809098909.db2.gz ZMYMWYIDCSTBFT-OAGGEKHMSA-N 2 1 264.457 3.371 20 0 CGADMP CC[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277808583 809098913 /nfs/dbraw/zinc/09/89/13/809098913.db2.gz ZMYMWYIDCSTBFT-OAGGEKHMSA-N 2 1 264.457 3.371 20 0 CGADMP CCOCC[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277859362 809101501 /nfs/dbraw/zinc/10/15/01/809101501.db2.gz XLWPHDHOALSPPY-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP CCOCC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277859362 809101502 /nfs/dbraw/zinc/10/15/02/809101502.db2.gz XLWPHDHOALSPPY-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP CCOCC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277859362 809101505 /nfs/dbraw/zinc/10/15/05/809101505.db2.gz XLWPHDHOALSPPY-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP CCOCC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277859362 809101509 /nfs/dbraw/zinc/10/15/09/809101509.db2.gz XLWPHDHOALSPPY-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP FC(F)(F)CCC[N@H+]1CCC2(C1)CC[NH+](C1CC1)CC2 ZINC001277923295 809106169 /nfs/dbraw/zinc/10/61/69/809106169.db2.gz TXNABFRQULKLEL-UHFFFAOYSA-N 2 1 290.373 3.279 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C2CC2)c1 ZINC001278358154 809127542 /nfs/dbraw/zinc/12/75/42/809127542.db2.gz RKVXIYUHYOPRJJ-MQVJKMGUSA-N 2 1 288.410 3.418 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C2CC2)c1 ZINC001278358154 809127546 /nfs/dbraw/zinc/12/75/46/809127546.db2.gz RKVXIYUHYOPRJJ-MQVJKMGUSA-N 2 1 288.410 3.418 20 0 CGADMP Cc1[nH+]c2c(Nc3ccc(C[NH3+])cc3)cccn2c1C ZINC001175966632 809585038 /nfs/dbraw/zinc/58/50/38/809585038.db2.gz BSZHVEWIJVEGFO-UHFFFAOYSA-N 2 1 266.348 3.153 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC001178872127 809892284 /nfs/dbraw/zinc/89/22/84/809892284.db2.gz FDCFHTXRXHSEED-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001179816053 809948522 /nfs/dbraw/zinc/94/85/22/809948522.db2.gz KLPIROYSEBBIHM-KBRIMQKVSA-N 2 1 292.854 3.387 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001179932234 809959696 /nfs/dbraw/zinc/95/96/96/809959696.db2.gz ZMSKWVHPRCJIGO-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(OC)CCCCCC1 ZINC001179952085 809962670 /nfs/dbraw/zinc/96/26/70/809962670.db2.gz OFSZOZXOUIGREN-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC001180393502 809997926 /nfs/dbraw/zinc/99/79/26/809997926.db2.gz NPVOUYQHAXOCFT-UHFFFAOYSA-N 2 1 282.378 3.129 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC001181586340 810060548 /nfs/dbraw/zinc/06/05/48/810060548.db2.gz BMDZNKDXSNPNKJ-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC001181586340 810060551 /nfs/dbraw/zinc/06/05/51/810060551.db2.gz BMDZNKDXSNPNKJ-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP COC1(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCCCC1 ZINC001181707875 810067136 /nfs/dbraw/zinc/06/71/36/810067136.db2.gz QAPIOFOFMYGXHU-SJPCQFCGSA-N 2 1 294.483 3.283 20 0 CGADMP COC1(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCCC1 ZINC001181707875 810067137 /nfs/dbraw/zinc/06/71/37/810067137.db2.gz QAPIOFOFMYGXHU-SJPCQFCGSA-N 2 1 294.483 3.283 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001184387447 810196887 /nfs/dbraw/zinc/19/68/87/810196887.db2.gz JYRCHDUUWBTYIH-ZJIFWQFVSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197367999 811421131 /nfs/dbraw/zinc/42/11/31/811421131.db2.gz CKQFPDYOTZGDKL-CABCVRRESA-N 2 1 299.393 3.492 20 0 CGADMP CC[C@H](C[NH2+]Cc1cccc2cnccc21)[NH+]1CCCC1 ZINC001199190557 811564147 /nfs/dbraw/zinc/56/41/47/811564147.db2.gz ZCSJLJOBDYTNPJ-QGZVFWFLSA-N 2 1 283.419 3.199 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201417847 811836605 /nfs/dbraw/zinc/83/66/05/811836605.db2.gz JTBBUMAJYVRUJW-AQNXPRMDSA-N 2 1 296.458 3.407 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201417847 811836611 /nfs/dbraw/zinc/83/66/11/811836611.db2.gz JTBBUMAJYVRUJW-AQNXPRMDSA-N 2 1 296.458 3.407 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201417847 811836620 /nfs/dbraw/zinc/83/66/20/811836620.db2.gz JTBBUMAJYVRUJW-AQNXPRMDSA-N 2 1 296.458 3.407 20 0 CGADMP CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201640863 811928159 /nfs/dbraw/zinc/92/81/59/811928159.db2.gz FRDPBSSNXVJXMX-SZMVWBNQSA-N 2 1 287.451 3.024 20 0 CGADMP CCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201640863 811928167 /nfs/dbraw/zinc/92/81/67/811928167.db2.gz FRDPBSSNXVJXMX-SZMVWBNQSA-N 2 1 287.451 3.024 20 0 CGADMP CCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201640863 811928173 /nfs/dbraw/zinc/92/81/73/811928173.db2.gz FRDPBSSNXVJXMX-SZMVWBNQSA-N 2 1 287.451 3.024 20 0 CGADMP CCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201640863 811928179 /nfs/dbraw/zinc/92/81/79/811928179.db2.gz FRDPBSSNXVJXMX-SZMVWBNQSA-N 2 1 287.451 3.024 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1 ZINC001201665096 811933374 /nfs/dbraw/zinc/93/33/74/811933374.db2.gz VSIVUDHCVDPBFS-WAYWQWQTSA-N 2 1 284.447 3.477 20 0 CGADMP CCCC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001201711782 811942769 /nfs/dbraw/zinc/94/27/69/811942769.db2.gz WPYIXNFRAFVDCZ-UHFFFAOYSA-N 2 1 287.451 3.170 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCC(F)(F)F)CC1 ZINC001202416002 812087551 /nfs/dbraw/zinc/08/75/51/812087551.db2.gz QSAFOXSGIZTAEW-UHFFFAOYSA-N 2 1 280.378 3.381 20 0 CGADMP COc1cc[nH+]c(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001203774202 812459144 /nfs/dbraw/zinc/45/91/44/812459144.db2.gz ZTUPFSOIXOOXTJ-UHFFFAOYSA-N 2 1 283.375 3.430 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC001203803124 812466765 /nfs/dbraw/zinc/46/67/65/812466765.db2.gz PQANBZBCBWUDGQ-GASCZTMLSA-N 2 1 278.827 3.114 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(O)cc1 ZINC001204095756 812549004 /nfs/dbraw/zinc/54/90/04/812549004.db2.gz FDFBUGOMIVNKCH-IRXDYDNUSA-N 2 1 288.435 3.231 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC001204095756 812549008 /nfs/dbraw/zinc/54/90/08/812549008.db2.gz FDFBUGOMIVNKCH-IRXDYDNUSA-N 2 1 288.435 3.231 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1 ZINC001204095756 812549010 /nfs/dbraw/zinc/54/90/10/812549010.db2.gz FDFBUGOMIVNKCH-IRXDYDNUSA-N 2 1 288.435 3.231 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001204165099 812561657 /nfs/dbraw/zinc/56/16/57/812561657.db2.gz OIUKJWLQLAOTAD-ZIAGYGMSSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CC(C)(C)C)cc1 ZINC001204268978 812592733 /nfs/dbraw/zinc/59/27/33/812592733.db2.gz RILPPPBTCBHTDK-UHFFFAOYSA-N 2 1 292.467 3.495 20 0 CGADMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c2ccccc21 ZINC001204320674 812611085 /nfs/dbraw/zinc/61/10/85/812611085.db2.gz NRVDPJBPWQYRLI-UHFFFAOYSA-N 2 1 285.435 3.096 20 0 CGADMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c2ccccc21 ZINC001204320674 812611086 /nfs/dbraw/zinc/61/10/86/812611086.db2.gz NRVDPJBPWQYRLI-UHFFFAOYSA-N 2 1 285.435 3.096 20 0 CGADMP Cn1cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c2ccccc21 ZINC001204319351 812611358 /nfs/dbraw/zinc/61/13/58/812611358.db2.gz QHXSKHDFFIXOTH-UHFFFAOYSA-N 2 1 297.446 3.237 20 0 CGADMP Cn1cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c2ccccc21 ZINC001204319351 812611361 /nfs/dbraw/zinc/61/13/61/812611361.db2.gz QHXSKHDFFIXOTH-UHFFFAOYSA-N 2 1 297.446 3.237 20 0 CGADMP CC[N@@H+](C)C1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC001204458119 812646543 /nfs/dbraw/zinc/64/65/43/812646543.db2.gz UUTDJWDTLAMKCS-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)oc1C ZINC001204533232 812670085 /nfs/dbraw/zinc/67/00/85/812670085.db2.gz JQDJLDDPOXILJD-UHFFFAOYSA-N 2 1 299.418 3.339 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204598072 812685398 /nfs/dbraw/zinc/68/53/98/812685398.db2.gz GCRXCRSLUKUQFJ-CQSZACIVSA-N 2 1 283.419 3.119 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001204604831 812686922 /nfs/dbraw/zinc/68/69/22/812686922.db2.gz YSBPFUHCCOHQIN-INIZCTEOSA-N 2 1 260.425 3.429 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001204604831 812686926 /nfs/dbraw/zinc/68/69/26/812686926.db2.gz YSBPFUHCCOHQIN-INIZCTEOSA-N 2 1 260.425 3.429 20 0 CGADMP CCCCC[N@@H+](C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204621885 812692947 /nfs/dbraw/zinc/69/29/47/812692947.db2.gz QJQALWIZJUHREQ-UHFFFAOYSA-N 2 1 285.435 3.367 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727775 812718483 /nfs/dbraw/zinc/71/84/83/812718483.db2.gz OOCHOCUMUCGYEX-UHFFFAOYSA-N 2 1 278.827 3.306 20 0 CGADMP CCOc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735382 812720351 /nfs/dbraw/zinc/72/03/51/812720351.db2.gz RUEIDKAQQUVMLO-UHFFFAOYSA-N 2 1 288.435 3.051 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001204735365 812720462 /nfs/dbraw/zinc/72/04/62/812720462.db2.gz QWTHCGRFUWTLMK-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c2ccccc12 ZINC001204770455 812730629 /nfs/dbraw/zinc/73/06/29/812730629.db2.gz FCHQAOQUJYPPMG-KRWDZBQOSA-N 2 1 254.377 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c2ccccc12 ZINC001204770455 812730632 /nfs/dbraw/zinc/73/06/32/812730632.db2.gz FCHQAOQUJYPPMG-KRWDZBQOSA-N 2 1 254.377 3.071 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2c(Cl)ccc(F)c2Cl)CC1 ZINC001205033407 812835510 /nfs/dbraw/zinc/83/55/10/812835510.db2.gz GODMIFXYPKZSHP-UHFFFAOYSA-N 2 1 291.197 3.303 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205087664 812856097 /nfs/dbraw/zinc/85/60/97/812856097.db2.gz GJOPLRMCGALFLA-HOTGVXAUSA-N 2 1 290.451 3.402 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205087664 812856100 /nfs/dbraw/zinc/85/61/00/812856100.db2.gz GJOPLRMCGALFLA-HOTGVXAUSA-N 2 1 290.451 3.402 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109315 812869845 /nfs/dbraw/zinc/86/98/45/812869845.db2.gz FAFWWQOFQDZLMC-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205109721 812871008 /nfs/dbraw/zinc/87/10/08/812871008.db2.gz KAFJIHWBCHZEBK-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205109721 812871016 /nfs/dbraw/zinc/87/10/16/812871016.db2.gz KAFJIHWBCHZEBK-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1ccc(-c2cncc(C[N@H+]3CCC[C@@H]([NH3+])CC3)c2)cc1 ZINC001205124487 812879447 /nfs/dbraw/zinc/87/94/47/812879447.db2.gz SICMTHCBAZFHIX-LJQANCHMSA-N 2 1 295.430 3.370 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001205131156 812880879 /nfs/dbraw/zinc/88/08/79/812880879.db2.gz RISLUUNSNKLCLZ-YQQAZPJKSA-N 2 1 282.431 3.470 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140550 812884521 /nfs/dbraw/zinc/88/45/21/812884521.db2.gz NELZFQLJDGUHMM-GOEBONIOSA-N 2 1 268.404 3.175 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC001205255127 812917374 /nfs/dbraw/zinc/91/73/74/812917374.db2.gz HFBOKWGJRYZUJN-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(O)c3ccccc23)CC1 ZINC001205263797 812920177 /nfs/dbraw/zinc/92/01/77/812920177.db2.gz CEVWNMXBQHMZCN-GOSISDBHSA-N 2 1 284.403 3.249 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4[nH]ccc43)C2)CC1 ZINC001205297787 812937385 /nfs/dbraw/zinc/93/73/85/812937385.db2.gz KNDASPSATBWTCT-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC001205296835 812937838 /nfs/dbraw/zinc/93/78/38/812937838.db2.gz UPCYYJUODQALRN-DYWXZXKOSA-N 2 1 292.854 3.360 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296417 812938026 /nfs/dbraw/zinc/93/80/26/812938026.db2.gz OUAMQORVYSGSEW-OAHLLOKOSA-N 2 1 284.806 3.491 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296417 812938032 /nfs/dbraw/zinc/93/80/32/812938032.db2.gz OUAMQORVYSGSEW-OAHLLOKOSA-N 2 1 284.806 3.491 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C[C@H]1C[NH3+] ZINC001205303269 812940829 /nfs/dbraw/zinc/94/08/29/812940829.db2.gz BTUNNJLUWKXUNJ-DNVCBOLYSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC001205304350 812942224 /nfs/dbraw/zinc/94/22/24/812942224.db2.gz OATJGLOZCNYJEY-QAPCUYQASA-N 2 1 295.430 3.165 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303957 812942395 /nfs/dbraw/zinc/94/23/95/812942395.db2.gz LRFTYBUDFRGIKC-DGCLKSJQSA-N 2 1 289.398 3.032 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1CC ZINC001205305551 812943788 /nfs/dbraw/zinc/94/37/88/812943788.db2.gz SLIARCAEEJOVJR-WMLDXEAASA-N 2 1 290.451 3.064 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1CC ZINC001205305552 812943818 /nfs/dbraw/zinc/94/38/18/812943818.db2.gz SLIARCAEEJOVJR-YOEHRIQHSA-N 2 1 290.451 3.064 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205306570 812943979 /nfs/dbraw/zinc/94/39/79/812943979.db2.gz XUFDSGKOHOTZBG-GOEBONIOSA-N 2 1 260.425 3.227 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3cccccc2-3)C[C@H]1C[NH3+] ZINC001205317391 812951072 /nfs/dbraw/zinc/95/10/72/812951072.db2.gz ORCGZDQROIGQQR-WMLDXEAASA-N 2 1 268.404 3.208 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318318 812951341 /nfs/dbraw/zinc/95/13/41/812951341.db2.gz UCRPQKZHMSQGPV-RDJZCZTQSA-N 2 1 290.451 3.199 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)C[C@@H]1C[NH3+] ZINC001205319092 812952762 /nfs/dbraw/zinc/95/27/62/812952762.db2.gz YRFHOWIGBGEIOT-HIFRSBDPSA-N 2 1 286.394 3.396 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205545518 812999672 /nfs/dbraw/zinc/99/96/72/812999672.db2.gz IUXAZKJHCUZABI-QGZVFWFLSA-N 2 1 294.414 3.127 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC001205559957 813003450 /nfs/dbraw/zinc/00/34/50/813003450.db2.gz XMLTXPXSPPFLCK-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559830 813003641 /nfs/dbraw/zinc/00/36/41/813003641.db2.gz VFDSXMBOWYGGJS-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc3cccccc2-3)CC1 ZINC001205591011 813014278 /nfs/dbraw/zinc/01/42/78/813014278.db2.gz BGEMQQKQBUJMOR-SFHVURJKSA-N 2 1 286.394 3.444 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205604440 813020998 /nfs/dbraw/zinc/02/09/98/813020998.db2.gz VRAASZHUKSFNRK-OCCSQVGLSA-N 2 1 266.816 3.147 20 0 CGADMP CC(C)C1(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001205614549 813024810 /nfs/dbraw/zinc/02/48/10/813024810.db2.gz HYQIXBXDKPQDFR-KDURUIRLSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)cc2c1 ZINC001205616241 813026327 /nfs/dbraw/zinc/02/63/27/813026327.db2.gz DSDRFMLVKDAABR-HUUCEWRRSA-N 2 1 285.435 3.283 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618496 813028671 /nfs/dbraw/zinc/02/86/71/813028671.db2.gz WPPUOWUWXRPQJF-HZPDHXFCSA-N 2 1 290.451 3.281 20 0 CGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1Cl ZINC001205617979 813029778 /nfs/dbraw/zinc/02/97/78/813029778.db2.gz QDTIYPGLUPQUEW-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)CC[C@@H]1C[NH3+] ZINC001205618959 813030933 /nfs/dbraw/zinc/03/09/33/813030933.db2.gz ZREMSIUPINKSED-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1Cl ZINC001205629227 813034424 /nfs/dbraw/zinc/03/44/24/813034424.db2.gz YRFLBDGAGBHQJX-SWLSCSKDSA-N 2 1 280.843 3.455 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)s1 ZINC001205628313 813034913 /nfs/dbraw/zinc/03/49/13/813034913.db2.gz UYRRIUHRYFRGJP-NEPJUHHUSA-N 2 1 284.494 3.277 20 0 CGADMP COc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205629160 813035149 /nfs/dbraw/zinc/03/51/49/813035149.db2.gz XVJUCVFUZQXBJU-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1F ZINC001205639466 813038312 /nfs/dbraw/zinc/03/83/12/813038312.db2.gz ZFTPAJQOHQWENG-DZGCQCFKSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c3ccoc32)CC[C@H]1C[NH3+] ZINC001205651832 813041958 /nfs/dbraw/zinc/04/19/58/813041958.db2.gz KFWFJSDCVVMVPH-STQMWFEESA-N 2 1 290.382 3.379 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1F ZINC001205651772 813042076 /nfs/dbraw/zinc/04/20/76/813042076.db2.gz JTBQCQQIJVNFQK-ZFWWWQNUSA-N 2 1 294.414 3.031 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205651251 813042943 /nfs/dbraw/zinc/04/29/43/813042943.db2.gz BQGIQBURRABZEP-UONOGXRCSA-N 2 1 294.414 3.031 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C)CC1 ZINC001205716409 813059737 /nfs/dbraw/zinc/05/97/37/813059737.db2.gz IBVDGZTXIMCFNT-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C)CC1 ZINC001205716409 813059742 /nfs/dbraw/zinc/05/97/42/813059742.db2.gz IBVDGZTXIMCFNT-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205829312 813100912 /nfs/dbraw/zinc/10/09/12/813100912.db2.gz OHIGUDCYNVXFRU-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205829312 813100916 /nfs/dbraw/zinc/10/09/16/813100916.db2.gz OHIGUDCYNVXFRU-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001205844349 813106156 /nfs/dbraw/zinc/10/61/56/813106156.db2.gz WOCXSCPNONBDGC-PBHICJAKSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001205844349 813106158 /nfs/dbraw/zinc/10/61/58/813106158.db2.gz WOCXSCPNONBDGC-PBHICJAKSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)c1C ZINC001205880323 813117890 /nfs/dbraw/zinc/11/78/90/813117890.db2.gz CRSRWADXSSEZEB-ZMZPIMSZSA-N 2 1 274.452 3.398 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)c1C ZINC001205880323 813117893 /nfs/dbraw/zinc/11/78/93/813117893.db2.gz CRSRWADXSSEZEB-ZMZPIMSZSA-N 2 1 274.452 3.398 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1CC ZINC001205902536 813124899 /nfs/dbraw/zinc/12/48/99/813124899.db2.gz KEDXNCCJXVCLBA-RHSMWYFYSA-N 2 1 290.451 3.207 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCc1ccc(F)cc1Cl ZINC001205904922 813128415 /nfs/dbraw/zinc/12/84/15/813128415.db2.gz YMXBTTLBUDGOCZ-DGCLKSJQSA-N 2 1 284.806 3.081 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912913 813129355 /nfs/dbraw/zinc/12/93/55/813129355.db2.gz DWQSVDGABYILOU-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(O)cc2ccccc21 ZINC001205913507 813129528 /nfs/dbraw/zinc/12/95/28/813129528.db2.gz IWXLSZCXHABANW-DZGCQCFKSA-N 2 1 284.403 3.105 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205913776 813131144 /nfs/dbraw/zinc/13/11/44/813131144.db2.gz JTFIFONDCHIHIX-KGLIPLIRSA-N 2 1 294.414 3.174 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205913776 813131148 /nfs/dbraw/zinc/13/11/48/813131148.db2.gz JTFIFONDCHIHIX-KGLIPLIRSA-N 2 1 294.414 3.174 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205916903 813133040 /nfs/dbraw/zinc/13/30/40/813133040.db2.gz WHWVQYPSODLDSR-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205916903 813133047 /nfs/dbraw/zinc/13/30/47/813133047.db2.gz WHWVQYPSODLDSR-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205916144 813133199 /nfs/dbraw/zinc/13/31/99/813133199.db2.gz SAGYNLYWYUYIKX-QAPCUYQASA-N 2 1 274.452 3.444 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC001205980770 813150959 /nfs/dbraw/zinc/15/09/59/813150959.db2.gz ACZBNNBUCLOANB-FMKPAKJESA-N 2 1 278.440 3.388 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981858 813151900 /nfs/dbraw/zinc/15/19/00/813151900.db2.gz IEMYDFCIHNKDEI-IKGGRYGDSA-N 2 1 298.515 3.261 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1F ZINC001205991304 813153613 /nfs/dbraw/zinc/15/36/13/813153613.db2.gz ABVRSJRDKCJNBW-QWHCGFSZSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205993180 813154966 /nfs/dbraw/zinc/15/49/66/813154966.db2.gz HLJBFLGQPJODDC-ZFWWWQNUSA-N 2 1 285.435 3.283 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205991841 813155348 /nfs/dbraw/zinc/15/53/48/813155348.db2.gz CROGUXYTRIFXGR-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205995885 813156738 /nfs/dbraw/zinc/15/67/38/813156738.db2.gz RJEATLAXDQZYIE-RDJZCZTQSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CCC[C@H]1C[NH3+] ZINC001205995766 813157402 /nfs/dbraw/zinc/15/74/02/813157402.db2.gz QAZLQLWHOZSKMD-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC001205996810 813157844 /nfs/dbraw/zinc/15/78/44/813157844.db2.gz YQRZUFUTQNCIST-WBVHZDCISA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)CCC[C@@H]1C[NH3+] ZINC001206003658 813161546 /nfs/dbraw/zinc/16/15/46/813161546.db2.gz KSSIKXQXBMEHEV-CHWSQXEVSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3cccnc3c2)CCC[C@@H]1C[NH3+] ZINC001206003460 813161648 /nfs/dbraw/zinc/16/16/48/813161648.db2.gz IFXZIZHNMKSDCP-WMLDXEAASA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206013607 813164850 /nfs/dbraw/zinc/16/48/50/813164850.db2.gz SRLIDKCAJJTVID-UKRRQHHQSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206013613 813165202 /nfs/dbraw/zinc/16/52/02/813165202.db2.gz SRLIDKCAJJTVID-ZFWWWQNUSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206023167 813169268 /nfs/dbraw/zinc/16/92/68/813169268.db2.gz DKVPIIXMZMUYHG-CHWSQXEVSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206027921 813170501 /nfs/dbraw/zinc/17/05/01/813170501.db2.gz XFMRDJAEWKPYNY-GJZGRUSLSA-N 2 1 278.415 3.249 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206035147 813175324 /nfs/dbraw/zinc/17/53/24/813175324.db2.gz BWPJPXJLIUQOOX-CVEARBPZSA-N 2 1 290.451 3.201 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCCCc2ccccc2)CC[C@H]1F ZINC001206156226 813216486 /nfs/dbraw/zinc/21/64/86/813216486.db2.gz OUCXWPBWLFEHIN-SJORKVTESA-N 2 1 278.415 3.161 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCCCc2ccccc2)CC[C@H]1F ZINC001206156226 813216491 /nfs/dbraw/zinc/21/64/91/813216491.db2.gz OUCXWPBWLFEHIN-SJORKVTESA-N 2 1 278.415 3.161 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)s1 ZINC001206163784 813220973 /nfs/dbraw/zinc/22/09/73/813220973.db2.gz FUEMEVFRORJMDS-CABCVRRESA-N 2 1 284.444 3.352 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@@H]1F ZINC001206167323 813222473 /nfs/dbraw/zinc/22/24/73/813222473.db2.gz YHBVHANFCSCFOX-QWHCGFSZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@H]1F ZINC001206173528 813225737 /nfs/dbraw/zinc/22/57/37/813225737.db2.gz HVDLGRGSUMIYJT-SJORKVTESA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@H]1F ZINC001206173528 813225742 /nfs/dbraw/zinc/22/57/42/813225742.db2.gz HVDLGRGSUMIYJT-SJORKVTESA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccn3)cc2)CC[C@@H]1F ZINC001206176368 813228125 /nfs/dbraw/zinc/22/81/25/813228125.db2.gz ZJOITFHVVQBPGB-IRXDYDNUSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC[C@@H]1F ZINC001206176368 813228129 /nfs/dbraw/zinc/22/81/29/813228129.db2.gz ZJOITFHVVQBPGB-IRXDYDNUSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[C@H]1F ZINC001206182708 813230735 /nfs/dbraw/zinc/23/07/35/813230735.db2.gz DIGMRHDTDHIOJE-KGLIPLIRSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccncc2)CC[C@H]1F ZINC001206198617 813236157 /nfs/dbraw/zinc/23/61/57/813236157.db2.gz MZNTYRKEGATVJX-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccncc2)CC[C@H]1F ZINC001206198617 813236161 /nfs/dbraw/zinc/23/61/61/813236161.db2.gz MZNTYRKEGATVJX-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001206277012 813267045 /nfs/dbraw/zinc/26/70/45/813267045.db2.gz LFVXRCCRYGHEEG-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001206277012 813267050 /nfs/dbraw/zinc/26/70/50/813267050.db2.gz LFVXRCCRYGHEEG-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2cccc(F)c2)CC1 ZINC001206293106 813274663 /nfs/dbraw/zinc/27/46/63/813274663.db2.gz GHTIZAKVTTVKHN-KRWDZBQOSA-N 2 1 278.415 3.209 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2cccc(Cl)c2)CC1 ZINC001206295165 813275378 /nfs/dbraw/zinc/27/53/78/813275378.db2.gz LTGIHPVAZHPOGC-MRXNPFEDSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2cccc(Cl)c2)CC1 ZINC001206295157 813275564 /nfs/dbraw/zinc/27/55/64/813275564.db2.gz LTGIHPVAZHPOGC-INIZCTEOSA-N 2 1 280.843 3.333 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297256 813277224 /nfs/dbraw/zinc/27/72/24/813277224.db2.gz WZUJFFLHKSNMPV-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC001206304492 813281069 /nfs/dbraw/zinc/28/10/69/813281069.db2.gz LKQRBFVFEKTBIM-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccccc2C2CC2)C1 ZINC001206351431 813299785 /nfs/dbraw/zinc/29/97/85/813299785.db2.gz CHVCFWVRKVSRDE-QGZVFWFLSA-N 2 1 276.399 3.217 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001206351431 813299789 /nfs/dbraw/zinc/29/97/89/813299789.db2.gz CHVCFWVRKVSRDE-QGZVFWFLSA-N 2 1 276.399 3.217 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206540142 813342940 /nfs/dbraw/zinc/34/29/40/813342940.db2.gz ANZWHIXLEBKDPV-GOSISDBHSA-N 2 1 290.451 3.426 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542112 813343492 /nfs/dbraw/zinc/34/34/92/813343492.db2.gz ROTFHXYYADAWPT-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001206547164 813346137 /nfs/dbraw/zinc/34/61/37/813346137.db2.gz CHMZTOIBZLSOGV-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556786 813352426 /nfs/dbraw/zinc/35/24/26/813352426.db2.gz XHSBBPMQMCMMPO-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206573512 813359584 /nfs/dbraw/zinc/35/95/84/813359584.db2.gz MKRPBUKWPLLXGV-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cs1 ZINC001206580075 813362103 /nfs/dbraw/zinc/36/21/03/813362103.db2.gz BYKLWCUTEOEREO-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206581451 813363206 /nfs/dbraw/zinc/36/32/06/813363206.db2.gz IYBZAEBRHKQFFM-QGZVFWFLSA-N 2 1 290.451 3.438 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001206623805 813378864 /nfs/dbraw/zinc/37/88/64/813378864.db2.gz OUYLHWAHNVSWFH-HNNXBMFYSA-N 2 1 284.403 3.106 20 0 CGADMP Cc1nc2cc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)ccc2s1 ZINC001206640734 813384189 /nfs/dbraw/zinc/38/41/89/813384189.db2.gz MAJJTYQYMNWMPW-AWEZNQCLSA-N 2 1 289.448 3.166 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770147 813432093 /nfs/dbraw/zinc/43/20/93/813432093.db2.gz RQLHHURMJCWSMQ-HUUCEWRRSA-N 2 1 285.435 3.220 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Cl ZINC001206769685 813432150 /nfs/dbraw/zinc/43/21/50/813432150.db2.gz PGLXMVKXGKOJDR-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Cl ZINC001206769688 813432456 /nfs/dbraw/zinc/43/24/56/813432456.db2.gz PGLXMVKXGKOJDR-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286966 813535697 /nfs/dbraw/zinc/53/56/97/813535697.db2.gz PRUPKJRFGHTQEL-INIZCTEOSA-N 2 1 272.436 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC4(CC4)C3)CC2)cc1 ZINC001207289698 813536081 /nfs/dbraw/zinc/53/60/81/813536081.db2.gz WLOALSBJZBGUTC-UHFFFAOYSA-N 2 1 284.447 3.385 20 0 CGADMP C[N@@H+](Cc1ccon1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290819 813536977 /nfs/dbraw/zinc/53/69/77/813536977.db2.gz CLIRWBAUWRXNFD-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP C[N@H+](Cc1ccon1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290819 813536983 /nfs/dbraw/zinc/53/69/83/813536983.db2.gz CLIRWBAUWRXNFD-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP Fc1ccc(F)c([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC001207438033 813565334 /nfs/dbraw/zinc/56/53/34/813565334.db2.gz RSOUDWOQLDRCLQ-INIZCTEOSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C[C@@H]1C ZINC001207479951 813572740 /nfs/dbraw/zinc/57/27/40/813572740.db2.gz QQSUEQDLGIQKBH-CABCVRRESA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207487157 813573934 /nfs/dbraw/zinc/57/39/34/813573934.db2.gz IHRPKZMLBYPKDV-HNNXBMFYSA-N 2 1 272.436 3.165 20 0 CGADMP CC(C)c1ccc(CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001207517893 813583043 /nfs/dbraw/zinc/58/30/43/813583043.db2.gz HUDPCVJKZUGDNR-UHFFFAOYSA-N 2 1 274.452 3.379 20 0 CGADMP CC(C)c1ccc(CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001207517893 813583049 /nfs/dbraw/zinc/58/30/49/813583049.db2.gz HUDPCVJKZUGDNR-UHFFFAOYSA-N 2 1 274.452 3.379 20 0 CGADMP CC1(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCOCC1 ZINC001207968823 813681944 /nfs/dbraw/zinc/68/19/44/813681944.db2.gz QDHMEVQATWFJKT-KRWDZBQOSA-N 2 1 294.483 3.144 20 0 CGADMP C(CC1CCCC1)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001208093526 813690918 /nfs/dbraw/zinc/69/09/18/813690918.db2.gz VQEOFUWPPFJJRD-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208099832 813693284 /nfs/dbraw/zinc/69/32/84/813693284.db2.gz AZYZVRFTNUBWFN-UHFFFAOYSA-N 2 1 260.425 3.240 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCSc3ccccc3C2)CC1 ZINC001208111239 813694617 /nfs/dbraw/zinc/69/46/17/813694617.db2.gz IGEWADMVASOKMJ-UHFFFAOYSA-N 2 1 290.476 3.326 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208109184 813694661 /nfs/dbraw/zinc/69/46/61/813694661.db2.gz MFUBHCUKHRRYQR-JXMROGBWSA-N 2 1 272.436 3.364 20 0 CGADMP CS[C@@H](C)CC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001208152465 813710376 /nfs/dbraw/zinc/71/03/76/813710376.db2.gz HLSJSQHTDIPOIZ-JYJNAYRXSA-N 2 1 284.513 3.467 20 0 CGADMP CS[C@@H](C)CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208152465 813710377 /nfs/dbraw/zinc/71/03/77/813710377.db2.gz HLSJSQHTDIPOIZ-JYJNAYRXSA-N 2 1 284.513 3.467 20 0 CGADMP CS[C@@H](C)CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001208152465 813710379 /nfs/dbraw/zinc/71/03/79/813710379.db2.gz HLSJSQHTDIPOIZ-JYJNAYRXSA-N 2 1 284.513 3.467 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001208170951 813724433 /nfs/dbraw/zinc/72/44/33/813724433.db2.gz VGOQONONVOHNID-HOTGVXAUSA-N 2 1 262.441 3.149 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208605702 813770811 /nfs/dbraw/zinc/77/08/11/813770811.db2.gz CLPSXFLJHQABRS-NVXWUHKLSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208605702 813770814 /nfs/dbraw/zinc/77/08/14/813770814.db2.gz CLPSXFLJHQABRS-NVXWUHKLSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208605702 813770816 /nfs/dbraw/zinc/77/08/16/813770816.db2.gz CLPSXFLJHQABRS-NVXWUHKLSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208605702 813770822 /nfs/dbraw/zinc/77/08/22/813770822.db2.gz CLPSXFLJHQABRS-NVXWUHKLSA-N 2 1 288.435 3.174 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC001208608293 813773475 /nfs/dbraw/zinc/77/34/75/813773475.db2.gz PYHHFOXIXJCXRA-HNNXBMFYSA-N 2 1 290.426 3.347 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001208607289 813775735 /nfs/dbraw/zinc/77/57/35/813775735.db2.gz LGWMNIOEAMITMN-MOPGFXCFSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001208607289 813775738 /nfs/dbraw/zinc/77/57/38/813775738.db2.gz LGWMNIOEAMITMN-MOPGFXCFSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001208607289 813775741 /nfs/dbraw/zinc/77/57/41/813775741.db2.gz LGWMNIOEAMITMN-MOPGFXCFSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCC(C)(C)c1ccccc1 ZINC001208662335 813783857 /nfs/dbraw/zinc/78/38/57/813783857.db2.gz BYMBSSLNPCJPSG-UHFFFAOYSA-N 2 1 262.441 3.238 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)CC(C)(C)C ZINC001208665251 813789261 /nfs/dbraw/zinc/78/92/61/813789261.db2.gz PMRKGIWBSBTPOQ-RDJZCZTQSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)CC(C)(C)C ZINC001208665251 813789266 /nfs/dbraw/zinc/78/92/66/813789266.db2.gz PMRKGIWBSBTPOQ-RDJZCZTQSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC001208665251 813789270 /nfs/dbraw/zinc/78/92/70/813789270.db2.gz PMRKGIWBSBTPOQ-RDJZCZTQSA-N 2 1 266.473 3.476 20 0 CGADMP C1=CO[C@@H](C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001208881034 813879443 /nfs/dbraw/zinc/87/94/43/813879443.db2.gz TXTVXLRAEDWKJW-IAGOWNOFSA-N 2 1 278.440 3.020 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208946290 813908016 /nfs/dbraw/zinc/90/80/16/813908016.db2.gz GDNYCRBHEYVWJA-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208946290 813908024 /nfs/dbraw/zinc/90/80/24/813908024.db2.gz GDNYCRBHEYVWJA-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208946290 813908031 /nfs/dbraw/zinc/90/80/31/813908031.db2.gz GDNYCRBHEYVWJA-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950974 813908290 /nfs/dbraw/zinc/90/82/90/813908290.db2.gz XZHBDDXVVPSCCF-KRWDZBQOSA-N 2 1 272.436 3.240 20 0 CGADMP CC1(C)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950974 813908293 /nfs/dbraw/zinc/90/82/93/813908293.db2.gz XZHBDDXVVPSCCF-KRWDZBQOSA-N 2 1 272.436 3.240 20 0 CGADMP CC1(C)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950974 813908297 /nfs/dbraw/zinc/90/82/97/813908297.db2.gz XZHBDDXVVPSCCF-KRWDZBQOSA-N 2 1 272.436 3.240 20 0 CGADMP CC1CC([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941199 813908840 /nfs/dbraw/zinc/90/88/40/813908840.db2.gz JDPYNAWAMWDQNX-IIIMJFFVSA-N 2 1 272.436 3.239 20 0 CGADMP CC1CC([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941199 813908841 /nfs/dbraw/zinc/90/88/41/813908841.db2.gz JDPYNAWAMWDQNX-IIIMJFFVSA-N 2 1 272.436 3.239 20 0 CGADMP CC1CC([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941199 813908847 /nfs/dbraw/zinc/90/88/47/813908847.db2.gz JDPYNAWAMWDQNX-IIIMJFFVSA-N 2 1 272.436 3.239 20 0 CGADMP C[NH+](C)CCC[N@H+](C)CCc1c(Cl)cccc1Cl ZINC001209105291 813934420 /nfs/dbraw/zinc/93/44/20/813934420.db2.gz NVZHCAQVWJVRGE-UHFFFAOYSA-N 2 1 289.250 3.419 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC001209105291 813934427 /nfs/dbraw/zinc/93/44/27/813934427.db2.gz NVZHCAQVWJVRGE-UHFFFAOYSA-N 2 1 289.250 3.419 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CC2CCC(OC)CC2)CC1 ZINC001209401212 814013516 /nfs/dbraw/zinc/01/35/16/814013516.db2.gz KOGSWKLXWNODJA-UHFFFAOYSA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209409038 814016079 /nfs/dbraw/zinc/01/60/79/814016079.db2.gz OLHAUMSPVUWYGF-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP COC(C)(C)CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209409038 814016088 /nfs/dbraw/zinc/01/60/88/814016088.db2.gz OLHAUMSPVUWYGF-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP COC(C)(C)CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001209409038 814016095 /nfs/dbraw/zinc/01/60/95/814016095.db2.gz OLHAUMSPVUWYGF-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001209416789 814020812 /nfs/dbraw/zinc/02/08/12/814020812.db2.gz SNCROFKFXAFGFD-DOTOQJQBSA-N 2 1 288.435 3.224 20 0 CGADMP Cc1cccc(CC[N@@H+](C)CCC[NH+]2CCCCC2)c1 ZINC001209450346 814047614 /nfs/dbraw/zinc/04/76/14/814047614.db2.gz GYRXKVYIZJSOAV-UHFFFAOYSA-N 2 1 274.452 3.345 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)CC1 ZINC001209454693 814048452 /nfs/dbraw/zinc/04/84/52/814048452.db2.gz SBYMLPINANOQSM-WKILWMFISA-N 2 1 252.446 3.373 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2[C@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001210561911 814527710 /nfs/dbraw/zinc/52/77/10/814527710.db2.gz XSWCSJWGPJHZMT-WWGRRREGSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@H]1C[N@H+](C[C@H]2[C@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001210561911 814527713 /nfs/dbraw/zinc/52/77/13/814527713.db2.gz XSWCSJWGPJHZMT-WWGRRREGSA-N 2 1 294.389 3.097 20 0 CGADMP c1[nH+]c2ccccn2c1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210706178 814589864 /nfs/dbraw/zinc/58/98/64/814589864.db2.gz UQBOWGLSZPQJND-OAHLLOKOSA-N 2 1 282.391 3.278 20 0 CGADMP C[NH2+]Cc1cccc(Nc2ccc3c(c2)C[N@H+](C)CC3)c1F ZINC001216226981 815745295 /nfs/dbraw/zinc/74/52/95/815745295.db2.gz KADXSPOIYMGGRO-UHFFFAOYSA-N 2 1 299.393 3.277 20 0 CGADMP [NH3+]Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001218176328 816117570 /nfs/dbraw/zinc/11/75/70/816117570.db2.gz GILGZVDHRLNRMF-LJQANCHMSA-N 2 1 296.414 3.189 20 0 CGADMP CC(C)C[C@@H](C)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218224393 816132576 /nfs/dbraw/zinc/13/25/76/816132576.db2.gz XJFHUSOFOHSDIO-OAHLLOKOSA-N 2 1 290.451 3.423 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001222154101 816360773 /nfs/dbraw/zinc/36/07/73/816360773.db2.gz FNXCDFWFGQKQNT-KRWDZBQOSA-N 2 1 292.854 3.478 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001222154101 816360778 /nfs/dbraw/zinc/36/07/78/816360778.db2.gz FNXCDFWFGQKQNT-KRWDZBQOSA-N 2 1 292.854 3.478 20 0 CGADMP Cc1ccncc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167783 816368105 /nfs/dbraw/zinc/36/81/05/816368105.db2.gz RDLONJVFFUDOOR-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191007 816370336 /nfs/dbraw/zinc/37/03/36/816370336.db2.gz HQNNNGOOPYANSF-PHDXLQKJSA-N 2 1 288.479 3.421 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191007 816370340 /nfs/dbraw/zinc/37/03/40/816370340.db2.gz HQNNNGOOPYANSF-PHDXLQKJSA-N 2 1 288.479 3.421 20 0 CGADMP CCn1ccc2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc21 ZINC001222243599 816384950 /nfs/dbraw/zinc/38/49/50/816384950.db2.gz NBFIGZMWQGOKBS-IBGZPJMESA-N 2 1 297.446 3.379 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc21 ZINC001222243599 816384958 /nfs/dbraw/zinc/38/49/58/816384958.db2.gz NBFIGZMWQGOKBS-IBGZPJMESA-N 2 1 297.446 3.379 20 0 CGADMP c1ccn(-c2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2)c1 ZINC001222249299 816385902 /nfs/dbraw/zinc/38/59/02/816385902.db2.gz SDGJNQZXQUDCSV-IBGZPJMESA-N 2 1 295.430 3.195 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2)c1 ZINC001222249299 816385908 /nfs/dbraw/zinc/38/59/08/816385908.db2.gz SDGJNQZXQUDCSV-IBGZPJMESA-N 2 1 295.430 3.195 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222307761 816403412 /nfs/dbraw/zinc/40/34/12/816403412.db2.gz BFIHJMLLNLHJHI-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222310418 816404808 /nfs/dbraw/zinc/40/48/08/816404808.db2.gz UYACCFVVVFSUCN-KRWDZBQOSA-N 2 1 258.409 3.103 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(C)s1 ZINC001222314427 816405949 /nfs/dbraw/zinc/40/59/49/816405949.db2.gz FYKYWUBLMMKZJP-INIZCTEOSA-N 2 1 278.465 3.473 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222315411 816406223 /nfs/dbraw/zinc/40/62/23/816406223.db2.gz NGVQEZHBZBMFHZ-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1F ZINC001222316838 816407300 /nfs/dbraw/zinc/40/73/00/816407300.db2.gz ZHUJZCLOEPCEDY-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1F ZINC001222316838 816407304 /nfs/dbraw/zinc/40/73/04/816407304.db2.gz ZHUJZCLOEPCEDY-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP C[C@H](CC[N@H+]1CCOCC2(CC[NH2+]CC2)C1)CC(C)(C)C ZINC001222400680 816433373 /nfs/dbraw/zinc/43/33/73/816433373.db2.gz DBWZTFIRFBNHSG-MRXNPFEDSA-N 2 1 296.499 3.151 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465277 816450859 /nfs/dbraw/zinc/45/08/59/816450859.db2.gz MLKJUCLUERBOHU-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222465546 816451059 /nfs/dbraw/zinc/45/10/59/816451059.db2.gz TZLBAFXEDMXETB-XIRDDKMYSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222465546 816451064 /nfs/dbraw/zinc/45/10/64/816451064.db2.gz TZLBAFXEDMXETB-XIRDDKMYSA-N 2 1 290.838 3.271 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615407 816479696 /nfs/dbraw/zinc/47/96/96/816479696.db2.gz PRJLICKWVUYLIA-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP CCOC(=[NH2+])c1cccc(-c2cccc(C[NH2+]C)c2)c1 ZINC001242995671 823203379 /nfs/dbraw/zinc/20/33/79/823203379.db2.gz IROJXVFUZZUKIT-UHFFFAOYSA-N 2 1 268.360 3.435 20 0 CGADMP CCn1ccc2ccc(C[NH+]3CCC4(CCC[NH2+]4)CC3)cc21 ZINC001226783016 817462664 /nfs/dbraw/zinc/46/26/64/817462664.db2.gz CIUGPINDYGGBLB-UHFFFAOYSA-N 2 1 297.446 3.379 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC2(CCCC2)C1 ZINC001232013502 818232476 /nfs/dbraw/zinc/23/24/76/818232476.db2.gz APVORINAYRZNOJ-UHFFFAOYSA-N 2 1 255.365 3.329 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001232010771 818233827 /nfs/dbraw/zinc/23/38/27/818233827.db2.gz AAPNSZHVIYHOGU-QWHCGFSZSA-N 2 1 257.381 3.431 20 0 CGADMP C[N@@H+](CCc1ccccc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012169 818233840 /nfs/dbraw/zinc/23/38/40/818233840.db2.gz UPNOUORNAGAXIO-UHFFFAOYSA-N 2 1 265.360 3.237 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001232013954 818233884 /nfs/dbraw/zinc/23/38/84/818233884.db2.gz IGYCIJJZMZNYGG-QGZVFWFLSA-N 2 1 278.359 3.295 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC1(F)F ZINC001232011196 818234008 /nfs/dbraw/zinc/23/40/08/818234008.db2.gz IZYLURBTGQYNAH-JTQLQIEISA-N 2 1 265.307 3.040 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001232015387 818235271 /nfs/dbraw/zinc/23/52/71/818235271.db2.gz GEIVTMZIZDJDQK-LRDDRELGSA-N 2 1 255.365 3.327 20 0 CGADMP CCCC[N@@H+](C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232144916 818263218 /nfs/dbraw/zinc/26/32/18/818263218.db2.gz MZFWKSCEJXEDLG-UHFFFAOYSA-N 2 1 252.377 3.119 20 0 CGADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)c(OC)c1 ZINC001234067279 818771071 /nfs/dbraw/zinc/77/10/71/818771071.db2.gz QXEYWXFIOZCVOI-OAHLLOKOSA-N 2 1 285.391 3.255 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994935 818973289 /nfs/dbraw/zinc/97/32/89/818973289.db2.gz UOFFAYACFSQUKH-KRWDZBQOSA-N 2 1 264.457 3.422 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005411 818976873 /nfs/dbraw/zinc/97/68/73/818976873.db2.gz HDCHTLYINGUNLB-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005411 818976878 /nfs/dbraw/zinc/97/68/78/818976878.db2.gz HDCHTLYINGUNLB-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H](C[N@H+]1CCC2(C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235024516 818981278 /nfs/dbraw/zinc/98/12/78/818981278.db2.gz NFLFRTVECRGSCT-OAHLLOKOSA-N 2 1 280.415 3.239 20 0 CGADMP c1csc(-c2ccccc2C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c1 ZINC001235025500 818981999 /nfs/dbraw/zinc/98/19/99/818981999.db2.gz CXLTVGPEJPIHPV-GOEBONIOSA-N 2 1 284.428 3.209 20 0 CGADMP c1csc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c1 ZINC001235025500 818982003 /nfs/dbraw/zinc/98/20/03/818982003.db2.gz CXLTVGPEJPIHPV-GOEBONIOSA-N 2 1 284.428 3.209 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1F ZINC001235041689 818987982 /nfs/dbraw/zinc/98/79/82/818987982.db2.gz RQDBHIIBZATRKU-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1F ZINC001235041689 818987990 /nfs/dbraw/zinc/98/79/90/818987990.db2.gz RQDBHIIBZATRKU-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042558 818988057 /nfs/dbraw/zinc/98/80/57/818988057.db2.gz XPUZQSDXAMFPOG-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040517 818988156 /nfs/dbraw/zinc/98/81/56/818988156.db2.gz LEXVQIYJFBHVGV-MRXNPFEDSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040517 818988164 /nfs/dbraw/zinc/98/81/64/818988164.db2.gz LEXVQIYJFBHVGV-MRXNPFEDSA-N 2 1 278.827 3.448 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)ccc21 ZINC001235046195 818990330 /nfs/dbraw/zinc/99/03/30/818990330.db2.gz NSGNGVYBQYRSHW-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001235093093 818999723 /nfs/dbraw/zinc/99/97/23/818999723.db2.gz OPEPPPUSCOXIAO-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP Clc1cccc(CCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235110070 819005845 /nfs/dbraw/zinc/00/58/45/819005845.db2.gz IFALRCNJFIQESS-INIZCTEOSA-N 2 1 278.827 3.101 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235110070 819005849 /nfs/dbraw/zinc/00/58/49/819005849.db2.gz IFALRCNJFIQESS-INIZCTEOSA-N 2 1 278.827 3.101 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(Oc2cccnc2)cc1 ZINC001235113392 819009210 /nfs/dbraw/zinc/00/92/10/819009210.db2.gz YHZVZAGFGHDUAI-UHFFFAOYSA-N 2 1 299.418 3.257 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Oc2cccnc2)cc1 ZINC001235113392 819009215 /nfs/dbraw/zinc/00/92/15/819009215.db2.gz YHZVZAGFGHDUAI-UHFFFAOYSA-N 2 1 299.418 3.257 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152683 819018334 /nfs/dbraw/zinc/01/83/34/819018334.db2.gz IBRPIZVRNUEDKU-GOSISDBHSA-N 2 1 290.426 3.488 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189253 819030393 /nfs/dbraw/zinc/03/03/93/819030393.db2.gz FKDYACZJIJJDPK-UHFFFAOYSA-N 2 1 297.446 3.286 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1F ZINC001235191676 819032947 /nfs/dbraw/zinc/03/29/47/819032947.db2.gz VJCWBACHKNRFSH-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1F ZINC001235191676 819032954 /nfs/dbraw/zinc/03/29/54/819032954.db2.gz VJCWBACHKNRFSH-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP c1c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001235225868 819040077 /nfs/dbraw/zinc/04/00/77/819040077.db2.gz VYCFUHHYESHKBS-CHWSQXEVSA-N 2 1 276.449 3.016 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235260107 819054824 /nfs/dbraw/zinc/05/48/24/819054824.db2.gz NGAKLDRZNPOSKG-SIXWZSSISA-N 2 1 280.415 3.237 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)n1 ZINC001235261757 819054888 /nfs/dbraw/zinc/05/48/88/819054888.db2.gz AUXDHXQIZDUTTK-KRWDZBQOSA-N 2 1 297.402 3.001 20 0 CGADMP CCc1cccc(CN2CC[C@H](Oc3ccncc3C)C2)n1 ZINC001235261757 819054892 /nfs/dbraw/zinc/05/48/92/819054892.db2.gz AUXDHXQIZDUTTK-KRWDZBQOSA-N 2 1 297.402 3.001 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)o1 ZINC001235266841 819057889 /nfs/dbraw/zinc/05/78/89/819057889.db2.gz GNKIAFBMFLJQLT-ROUUACIJSA-N 2 1 296.414 3.439 20 0 CGADMP Cc1c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cccc1-c1ccccc1 ZINC001235264141 819058399 /nfs/dbraw/zinc/05/83/99/819058399.db2.gz WGEWXUFGIDVETH-QUCCMNQESA-N 2 1 292.426 3.456 20 0 CGADMP Cc1c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cccc1-c1ccccc1 ZINC001235264141 819058405 /nfs/dbraw/zinc/05/84/05/819058405.db2.gz WGEWXUFGIDVETH-QUCCMNQESA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc12 ZINC001235274036 819060819 /nfs/dbraw/zinc/06/08/19/819060819.db2.gz UAERYQSZRMQFER-QFBILLFUSA-N 2 1 280.415 3.332 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235274032 819060940 /nfs/dbraw/zinc/06/09/40/819060940.db2.gz UAERYQSZRMQFER-APWZRJJASA-N 2 1 280.415 3.332 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC1 ZINC001235283440 819061165 /nfs/dbraw/zinc/06/11/65/819061165.db2.gz OLUIYJKCVDHIDJ-FJIDUMEYSA-N 2 1 274.452 3.348 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Cl)c1Cl ZINC001235339964 819071794 /nfs/dbraw/zinc/07/17/94/819071794.db2.gz GGMSPOZMIJPSAG-NSHDSACASA-N 2 1 299.245 3.343 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(C)c1C ZINC001235340795 819072730 /nfs/dbraw/zinc/07/27/30/819072730.db2.gz MGYZXDLFKAUGOY-QGZVFWFLSA-N 2 1 286.463 3.270 20 0 CGADMP C[C@H](CC[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)CC(C)(C)C ZINC001235399211 819084695 /nfs/dbraw/zinc/08/46/95/819084695.db2.gz ZMVQOJCEGAESAY-ILXRZTDVSA-N 2 1 284.463 3.458 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC001235426176 819092517 /nfs/dbraw/zinc/09/25/17/819092517.db2.gz NVHMBGYZHDXHAL-CVEARBPZSA-N 2 1 276.424 3.108 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235425183 819092731 /nfs/dbraw/zinc/09/27/31/819092731.db2.gz ILWQXZUVIPGEQG-IAGOWNOFSA-N 2 1 290.426 3.346 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1CCC2 ZINC001235427431 819094428 /nfs/dbraw/zinc/09/44/28/819094428.db2.gz RZADRJXTCZMBRR-UXHICEINSA-N 2 1 298.474 3.387 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235433836 819096003 /nfs/dbraw/zinc/09/60/03/819096003.db2.gz SQQTVSKGKXCRME-UHFFFAOYSA-N 2 1 290.451 3.214 20 0 CGADMP C[C@H]1CCCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001235661916 819131666 /nfs/dbraw/zinc/13/16/66/819131666.db2.gz RBBHXHUKQSMNQW-LBPRGKRZSA-N 2 1 264.438 3.158 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001235689264 819141803 /nfs/dbraw/zinc/14/18/03/819141803.db2.gz CFMPVSCNWXUXBP-UHFFFAOYSA-N 2 1 264.457 3.406 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711140 819146584 /nfs/dbraw/zinc/14/65/84/819146584.db2.gz KKQUBOIJTKZXRR-HNNXBMFYSA-N 2 1 250.430 3.054 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711529 819148558 /nfs/dbraw/zinc/14/85/58/819148558.db2.gz QFLGYRZVFDYTFZ-UHFFFAOYSA-N 2 1 280.415 3.334 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001235716087 819150681 /nfs/dbraw/zinc/15/06/81/819150681.db2.gz YJEHBHUUESXAIS-LJQANCHMSA-N 2 1 280.415 3.210 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235718043 819151794 /nfs/dbraw/zinc/15/17/94/819151794.db2.gz SRXHGODGWLCETL-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP CC(C)(C[N@H+]1CC[C@@H](C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001235750697 819160640 /nfs/dbraw/zinc/16/06/40/819160640.db2.gz RZXHYCQCQPBOCM-LBPRGKRZSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H](C)C1 ZINC001235819790 819173883 /nfs/dbraw/zinc/17/38/83/819173883.db2.gz IMHSMARPDUEJPM-GJZGRUSLSA-N 2 1 297.446 3.365 20 0 CGADMP C[N@H+](CCc1cccc(Cl)c1)CC[C@H]1CCC[NH2+]C1 ZINC001235839164 819182739 /nfs/dbraw/zinc/18/27/39/819182739.db2.gz KVPBWDKUFQPSBR-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235843606 819184988 /nfs/dbraw/zinc/18/49/88/819184988.db2.gz ZPJJGOACYKYHDQ-QGZVFWFLSA-N 2 1 280.415 3.395 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235892448 819201487 /nfs/dbraw/zinc/20/14/87/819201487.db2.gz QVNAOCJRCRNHMM-JKSUJKDBSA-N 2 1 298.471 3.092 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235893126 819202282 /nfs/dbraw/zinc/20/22/82/819202282.db2.gz ROKFIEVGVJHUKG-KDOFPFPSSA-N 2 1 296.414 3.371 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235893126 819202288 /nfs/dbraw/zinc/20/22/88/819202288.db2.gz ROKFIEVGVJHUKG-KDOFPFPSSA-N 2 1 296.414 3.371 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001235894441 819204487 /nfs/dbraw/zinc/20/44/87/819204487.db2.gz WYQTXNJJLIFURW-CVEARBPZSA-N 2 1 262.441 3.031 20 0 CGADMP CC[C@@H]([NH3+])C[NH+]1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001235897118 819206243 /nfs/dbraw/zinc/20/62/43/819206243.db2.gz QAIMOZHMRVHGOL-CYBMUJFWSA-N 2 1 298.833 3.471 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929552 819228207 /nfs/dbraw/zinc/22/82/07/819228207.db2.gz RHWYCDOTDSSUNE-DSLCMKTCSA-N 2 1 264.457 3.444 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC001235934839 819230578 /nfs/dbraw/zinc/23/05/78/819230578.db2.gz NWUGXPPWBUMDEG-QGZVFWFLSA-N 2 1 284.378 3.274 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235936316 819233000 /nfs/dbraw/zinc/23/30/00/819233000.db2.gz JPJQEECAODNLLY-DGCLKSJQSA-N 2 1 296.867 3.103 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235936316 819233007 /nfs/dbraw/zinc/23/30/07/819233007.db2.gz JPJQEECAODNLLY-DGCLKSJQSA-N 2 1 296.867 3.103 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001235940778 819234821 /nfs/dbraw/zinc/23/48/21/819234821.db2.gz ZKKZEASJRHEPNO-UHFFFAOYSA-N 2 1 266.816 3.217 20 0 CGADMP c1ccc([C@H]2CC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235950064 819239561 /nfs/dbraw/zinc/23/95/61/819239561.db2.gz ZLDJGLSLFLZTMS-LJQANCHMSA-N 2 1 278.399 3.279 20 0 CGADMP c1ccc([C@@H]2CC[N@@H+]2Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235950056 819239598 /nfs/dbraw/zinc/23/95/98/819239598.db2.gz ZIHNLISZMHUFTF-IBGZPJMESA-N 2 1 278.399 3.279 20 0 CGADMP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC001235950487 819241848 /nfs/dbraw/zinc/24/18/48/819241848.db2.gz IAKQWGCTGHYZOB-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC001235950487 819241851 /nfs/dbraw/zinc/24/18/51/819241851.db2.gz IAKQWGCTGHYZOB-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP CC(C)c1cccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235956966 819245708 /nfs/dbraw/zinc/24/57/08/819245708.db2.gz IXLKXYVCBFDSAE-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235960299 819247614 /nfs/dbraw/zinc/24/76/14/819247614.db2.gz TTYIMVFNQNSATM-SCAQPMJSSA-N 2 1 288.435 3.033 20 0 CGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CCCCC[NH3+] ZINC001235961321 819249620 /nfs/dbraw/zinc/24/96/20/819249620.db2.gz FRPCFGGIVDVMIZ-CVEARBPZSA-N 2 1 270.461 3.379 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981846 819258546 /nfs/dbraw/zinc/25/85/46/819258546.db2.gz XSMKKVFZDCDQNB-ZMSDIMECSA-N 2 1 282.472 3.031 20 0 CGADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C2CC2)cc1 ZINC001235990770 819262377 /nfs/dbraw/zinc/26/23/77/819262377.db2.gz COGYZFYETZKDOX-UHFFFAOYSA-N 2 1 292.426 3.497 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235990283 819262391 /nfs/dbraw/zinc/26/23/91/819262391.db2.gz MMXKIDAMDGBJKF-IEBWSBKVSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235990283 819262399 /nfs/dbraw/zinc/26/23/99/819262399.db2.gz MMXKIDAMDGBJKF-IEBWSBKVSA-N 2 1 278.399 3.277 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236018222 819275089 /nfs/dbraw/zinc/27/50/89/819275089.db2.gz UOMNFLQGDLTUTQ-ZTFGCOKTSA-N 2 1 272.436 3.022 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236018222 819275095 /nfs/dbraw/zinc/27/50/95/819275095.db2.gz UOMNFLQGDLTUTQ-ZTFGCOKTSA-N 2 1 272.436 3.022 20 0 CGADMP Fc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001236047475 819285368 /nfs/dbraw/zinc/28/53/68/819285368.db2.gz KYAPGEXCDJQBLI-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP CC1(C)C[N@@H+](Cc2cccc(C[NH3+])c2)Cc2ccccc21 ZINC001236085224 819307188 /nfs/dbraw/zinc/30/71/88/819307188.db2.gz LGEVMSACMABLJP-UHFFFAOYSA-N 2 1 280.415 3.439 20 0 CGADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(OC)cc1 ZINC001236102916 819320048 /nfs/dbraw/zinc/32/00/48/819320048.db2.gz SJLNTWRZJKSSPP-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1ccccc1OCc1ccccc1 ZINC001236141433 819342204 /nfs/dbraw/zinc/34/22/04/819342204.db2.gz JNZPEZWRZRRBEV-UHFFFAOYSA-N 2 1 298.430 3.436 20 0 CGADMP Cc1cc(Br)cc(C)c1C[N@@H+](C)CCCC[NH3+] ZINC001236142228 819342843 /nfs/dbraw/zinc/34/28/43/819342843.db2.gz SWBNVUPZYBUYGM-UHFFFAOYSA-N 2 1 299.256 3.237 20 0 CGADMP CCC[N@@H+](Cc1ccc2ccn(C)c2c1)C1CC[NH2+]CC1 ZINC001236182602 819359231 /nfs/dbraw/zinc/35/92/31/819359231.db2.gz RZTNGBJZPJRNCP-UHFFFAOYSA-N 2 1 285.435 3.142 20 0 CGADMP CCC[N@@H+](Cc1ccc(OCC)cc1C)C1CC[NH2+]CC1 ZINC001236183144 819360074 /nfs/dbraw/zinc/36/00/74/819360074.db2.gz VIVJGWSAOFNQRQ-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP CCC[N@@H+](Cc1c[nH]c2ccc(C)cc12)C1CC[NH2+]CC1 ZINC001236182576 819360318 /nfs/dbraw/zinc/36/03/18/819360318.db2.gz ROJVMCVWELADCM-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)CCCc2ccc(F)cc2)CC1 ZINC001236212694 819374287 /nfs/dbraw/zinc/37/42/87/819374287.db2.gz MDJZXJIKMLQNQU-UHFFFAOYSA-N 2 1 278.415 3.221 20 0 CGADMP C[N@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214596 819375765 /nfs/dbraw/zinc/37/57/65/819375765.db2.gz GKUVAYQVGORPIK-LSDHHAIUSA-N 2 1 276.355 3.274 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214596 819375772 /nfs/dbraw/zinc/37/57/72/819375772.db2.gz GKUVAYQVGORPIK-LSDHHAIUSA-N 2 1 276.355 3.274 20 0 CGADMP C[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216392 819380770 /nfs/dbraw/zinc/38/07/70/819380770.db2.gz KAXBGBSOUBHBBE-DLBZAZTESA-N 2 1 258.409 3.266 20 0 CGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216392 819380780 /nfs/dbraw/zinc/38/07/80/819380780.db2.gz KAXBGBSOUBHBBE-DLBZAZTESA-N 2 1 258.409 3.266 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)ccc1OC(C)C ZINC001236224328 819389476 /nfs/dbraw/zinc/38/94/76/819389476.db2.gz SVUFJDKOZDYFTO-QAQDUYKDSA-N 2 1 290.451 3.484 20 0 CGADMP CC1=CC[C@H](CC[N@H+](C)C2(C)CC[NH2+]CC2)C1(C)C ZINC001236224064 819389508 /nfs/dbraw/zinc/38/95/08/819389508.db2.gz QYDMAFDPMMCATJ-OAHLLOKOSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227802 819391111 /nfs/dbraw/zinc/39/11/11/819391111.db2.gz MEVACOYTRLIGAM-WSDZMALLSA-N 2 1 272.436 3.415 20 0 CGADMP C[N@@H+](Cc1cccc2c1CCCC2)C1(C)CC[NH2+]CC1 ZINC001236226643 819391576 /nfs/dbraw/zinc/39/15/76/819391576.db2.gz QNXNMDMUJXPLGL-UHFFFAOYSA-N 2 1 272.436 3.139 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001236242903 819401442 /nfs/dbraw/zinc/40/14/42/819401442.db2.gz MIDLGGKOEXACLH-GFCCVEGCSA-N 2 1 287.234 3.349 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001236242903 819401444 /nfs/dbraw/zinc/40/14/44/819401444.db2.gz MIDLGGKOEXACLH-GFCCVEGCSA-N 2 1 287.234 3.349 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c(C)c1C ZINC001236246733 819404310 /nfs/dbraw/zinc/40/43/10/819404310.db2.gz IUCTXDKKLZEGBT-MRXNPFEDSA-N 2 1 260.425 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H]2C[NH3+])c(C)c1C ZINC001236246733 819404314 /nfs/dbraw/zinc/40/43/14/819404314.db2.gz IUCTXDKKLZEGBT-MRXNPFEDSA-N 2 1 260.425 3.152 20 0 CGADMP c1ccc(CC[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236271011 819411625 /nfs/dbraw/zinc/41/16/25/819411625.db2.gz XYHIKRXAGFKDLK-FQEVSTJZSA-N 2 1 294.442 3.483 20 0 CGADMP c1ccc(CC[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236271011 819411628 /nfs/dbraw/zinc/41/16/28/819411628.db2.gz XYHIKRXAGFKDLK-FQEVSTJZSA-N 2 1 294.442 3.483 20 0 CGADMP CCCCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286544 819414407 /nfs/dbraw/zinc/41/44/07/819414407.db2.gz MCOZDUJHFGRLHL-UHFFFAOYSA-N 2 1 260.425 3.431 20 0 CGADMP COCC[N@H+](C[C@@H](C)CCC=C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236328328 819427242 /nfs/dbraw/zinc/42/72/42/819427242.db2.gz PESBCMRBXZTCMC-DLBZAZTESA-N 2 1 282.472 3.069 20 0 CGADMP COCC[N@@H+](C[C@@H](C)CCC=C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236328328 819427244 /nfs/dbraw/zinc/42/72/44/819427244.db2.gz PESBCMRBXZTCMC-DLBZAZTESA-N 2 1 282.472 3.069 20 0 CGADMP CC[C@H](C)C[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387667 819444831 /nfs/dbraw/zinc/44/48/31/819444831.db2.gz FAXGUYHASYSCLR-WMLDXEAASA-N 2 1 278.415 3.426 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387667 819444834 /nfs/dbraw/zinc/44/48/34/819444834.db2.gz FAXGUYHASYSCLR-WMLDXEAASA-N 2 1 278.415 3.426 20 0 CGADMP CC[N@H+](Cc1c[nH]c2cccc(Cl)c12)C[C@@H]1CC[NH2+]C1 ZINC001236408073 819455446 /nfs/dbraw/zinc/45/54/46/819455446.db2.gz KSEHIYKPELHZDG-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)cc1CC ZINC001236408046 819456384 /nfs/dbraw/zinc/45/63/84/819456384.db2.gz KIGDUJGQTLKRGR-MRXNPFEDSA-N 2 1 290.451 3.079 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)s1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413050 819458695 /nfs/dbraw/zinc/45/86/95/819458695.db2.gz NGAXLJIPZHBLPS-QLPKVWCKSA-N 2 1 284.428 3.065 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccc2)s1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413050 819458696 /nfs/dbraw/zinc/45/86/96/819458696.db2.gz NGAXLJIPZHBLPS-QLPKVWCKSA-N 2 1 284.428 3.065 20 0 CGADMP COc1cccc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236411894 819458753 /nfs/dbraw/zinc/45/87/53/819458753.db2.gz QDOPPUXIOOKPOP-DLBZAZTESA-N 2 1 288.435 3.017 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236418373 819464605 /nfs/dbraw/zinc/46/46/05/819464605.db2.gz HCIQEXINDGNODH-IMJJTQAJSA-N 2 1 278.827 3.127 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236418373 819464609 /nfs/dbraw/zinc/46/46/09/819464609.db2.gz HCIQEXINDGNODH-IMJJTQAJSA-N 2 1 278.827 3.127 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1cccc(C[NH+](C)C)c1 ZINC001236419691 819465623 /nfs/dbraw/zinc/46/56/23/819465623.db2.gz RYQTYGONNIPLNX-UHFFFAOYSA-N 2 1 269.392 3.185 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001236429489 819474305 /nfs/dbraw/zinc/47/43/05/819474305.db2.gz ZNSRROMLCIGYBY-AEFFLSMTSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236500125 819506126 /nfs/dbraw/zinc/50/61/26/819506126.db2.gz VUGGUTNBWVASFN-OCCSQVGLSA-N 2 1 294.389 3.175 20 0 CGADMP Cn1ccc2c1cccc2C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236597763 819549041 /nfs/dbraw/zinc/54/90/41/819549041.db2.gz DYNNAQYYWQAGPV-HNNXBMFYSA-N 2 1 297.446 3.142 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC001236604306 819550414 /nfs/dbraw/zinc/55/04/14/819550414.db2.gz LOBNQBKZDBIVDW-HNNXBMFYSA-N 2 1 266.454 3.261 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001236606131 819550433 /nfs/dbraw/zinc/55/04/33/819550433.db2.gz ZYTGOMACIADUKY-AWEZNQCLSA-N 2 1 287.234 3.207 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001236606131 819550440 /nfs/dbraw/zinc/55/04/40/819550440.db2.gz ZYTGOMACIADUKY-AWEZNQCLSA-N 2 1 287.234 3.207 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(C)c1OC(C)C ZINC001236615409 819553594 /nfs/dbraw/zinc/55/35/94/819553594.db2.gz HNJYLEVCYRYQNH-GOSISDBHSA-N 2 1 290.451 3.261 20 0 CGADMP Cc1cccc(F)c1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637183 819557345 /nfs/dbraw/zinc/55/73/45/819557345.db2.gz OELQOFPMDKBZEY-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP Cc1cccc(F)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637183 819557348 /nfs/dbraw/zinc/55/73/48/819557348.db2.gz OELQOFPMDKBZEY-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236688261 819572149 /nfs/dbraw/zinc/57/21/49/819572149.db2.gz WWOFMSYJTGMSGC-HIFRSBDPSA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236688261 819572153 /nfs/dbraw/zinc/57/21/53/819572153.db2.gz WWOFMSYJTGMSGC-HIFRSBDPSA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236688261 819572157 /nfs/dbraw/zinc/57/21/57/819572157.db2.gz WWOFMSYJTGMSGC-HIFRSBDPSA-N 2 1 286.444 3.285 20 0 CGADMP Cc1c(F)ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1Cl ZINC001236708468 819578890 /nfs/dbraw/zinc/57/88/90/819578890.db2.gz AFAWTBHEZJKAEY-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1c(F)ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1Cl ZINC001236708468 819578894 /nfs/dbraw/zinc/57/88/94/819578894.db2.gz AFAWTBHEZJKAEY-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1c(F)ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1Cl ZINC001236708468 819578897 /nfs/dbraw/zinc/57/88/97/819578897.db2.gz AFAWTBHEZJKAEY-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Cl ZINC001236708468 819578901 /nfs/dbraw/zinc/57/89/01/819578901.db2.gz AFAWTBHEZJKAEY-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Cl ZINC001236708468 819578907 /nfs/dbraw/zinc/57/89/07/819578907.db2.gz AFAWTBHEZJKAEY-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3occc32)CC1 ZINC001236742545 819590430 /nfs/dbraw/zinc/59/04/30/819590430.db2.gz FKPKDVRGZMEKKU-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3occc32)CC1 ZINC001236742545 819590433 /nfs/dbraw/zinc/59/04/33/819590433.db2.gz FKPKDVRGZMEKKU-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c4ccccc34)C[C@H]12 ZINC001236819844 819605853 /nfs/dbraw/zinc/60/58/53/819605853.db2.gz OLHWCTUEQIDSRR-RPVQJOFSSA-N 2 1 284.378 3.148 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c(F)cccc34)C[C@@H]12 ZINC001236825818 819608100 /nfs/dbraw/zinc/60/81/00/819608100.db2.gz ARMSTPSDBWZDCQ-FDQGKXFDSA-N 2 1 284.378 3.148 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001236833392 819613652 /nfs/dbraw/zinc/61/36/52/819613652.db2.gz ANPDTBJEXWYTRK-AWEZNQCLSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236835366 819614886 /nfs/dbraw/zinc/61/48/86/819614886.db2.gz MEDDZHAYTALBDK-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236835366 819614889 /nfs/dbraw/zinc/61/48/89/819614889.db2.gz MEDDZHAYTALBDK-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c2ccoc21)C[C@@H]1CC[NH2+]C1 ZINC001236844120 819620080 /nfs/dbraw/zinc/62/00/80/819620080.db2.gz SYDQAKYSUGTTBE-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1ccc(F)cc1F ZINC001236908421 819636607 /nfs/dbraw/zinc/63/66/07/819636607.db2.gz IPXNDUZXLBJKEM-LBPRGKRZSA-N 2 1 290.357 3.411 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1ccc(F)cc1F ZINC001236908421 819636612 /nfs/dbraw/zinc/63/66/12/819636612.db2.gz IPXNDUZXLBJKEM-LBPRGKRZSA-N 2 1 290.357 3.411 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001237081240 819661778 /nfs/dbraw/zinc/66/17/78/819661778.db2.gz JQAVLJPGFXPPAA-QGZVFWFLSA-N 2 1 258.409 3.125 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154112 819682042 /nfs/dbraw/zinc/68/20/42/819682042.db2.gz JJJHQZOWSMVZAC-SFHVURJKSA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2c(c1)cccc2C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154112 819682045 /nfs/dbraw/zinc/68/20/45/819682045.db2.gz JJJHQZOWSMVZAC-SFHVURJKSA-N 2 1 295.430 3.341 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@@H]2Nc3ccc(Cl)cc3[C@H]2C1 ZINC001237228808 819706357 /nfs/dbraw/zinc/70/63/57/819706357.db2.gz BEOYUEDDOCACNU-ZBFHGGJFSA-N 2 1 293.842 3.052 20 0 CGADMP C[N@@H+](CC1CC2(C1)CC[NH2+]CC2)[C@H]1CCc2ccccc21 ZINC001237256841 819709865 /nfs/dbraw/zinc/70/98/65/819709865.db2.gz BOIXWWPEOJMHSD-SFHVURJKSA-N 2 1 284.447 3.386 20 0 CGADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266580 819711955 /nfs/dbraw/zinc/71/19/55/819711955.db2.gz XENPHOVFLYCWNC-DZGCQCFKSA-N 2 1 276.424 3.000 20 0 CGADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266580 819711960 /nfs/dbraw/zinc/71/19/60/819711960.db2.gz XENPHOVFLYCWNC-DZGCQCFKSA-N 2 1 276.424 3.000 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300987 819720610 /nfs/dbraw/zinc/72/06/10/819720610.db2.gz SAAHSBHVVPLDOX-LZLYRXPVSA-N 2 1 294.442 3.293 20 0 CGADMP CCc1cccc(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001237328500 819727352 /nfs/dbraw/zinc/72/73/52/819727352.db2.gz DFTUBMDJTFOBCY-SFHVURJKSA-N 2 1 272.436 3.085 20 0 CGADMP CCc1cccc(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001237328500 819727358 /nfs/dbraw/zinc/72/73/58/819727358.db2.gz DFTUBMDJTFOBCY-SFHVURJKSA-N 2 1 272.436 3.085 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3c(C)cc(F)cc3C)C[C@H]2C1 ZINC001237327154 819727517 /nfs/dbraw/zinc/72/75/17/819727517.db2.gz ZMHVHJJJRVLBCW-IYBDPMFKSA-N 2 1 290.426 3.216 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)cc(F)cc3C)C[C@@H]2C1 ZINC001237327154 819727525 /nfs/dbraw/zinc/72/75/25/819727525.db2.gz ZMHVHJJJRVLBCW-IYBDPMFKSA-N 2 1 290.426 3.216 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cc(F)cc3C)C[C@@H]2C1 ZINC001237327154 819727530 /nfs/dbraw/zinc/72/75/30/819727530.db2.gz ZMHVHJJJRVLBCW-IYBDPMFKSA-N 2 1 290.426 3.216 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cc(F)cc3C)C[C@@H]2C1 ZINC001237327154 819727533 /nfs/dbraw/zinc/72/75/33/819727533.db2.gz ZMHVHJJJRVLBCW-IYBDPMFKSA-N 2 1 290.426 3.216 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cc(F)cc3C)C[C@@H]2C1 ZINC001237327154 819727538 /nfs/dbraw/zinc/72/75/38/819727538.db2.gz ZMHVHJJJRVLBCW-IYBDPMFKSA-N 2 1 290.426 3.216 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381808 819737747 /nfs/dbraw/zinc/73/77/47/819737747.db2.gz KDCRXOPCFFIEKQ-RTBURBONSA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381799 819738334 /nfs/dbraw/zinc/73/83/34/819738334.db2.gz KDCRXOPCFFIEKQ-MOPGFXCFSA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237387945 819741749 /nfs/dbraw/zinc/74/17/49/819741749.db2.gz CHSOUWCFYJRMDS-SJLPKXTDSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237387945 819741751 /nfs/dbraw/zinc/74/17/51/819741751.db2.gz CHSOUWCFYJRMDS-SJLPKXTDSA-N 2 1 288.435 3.048 20 0 CGADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2c(c1)CCCC2 ZINC001237419326 819748750 /nfs/dbraw/zinc/74/87/50/819748750.db2.gz ZWRSLYWKJNMKSB-PKOBYXMFSA-N 2 1 284.447 3.139 20 0 CGADMP FC1CC2(C1)CCC[N@@H+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238118559 819939078 /nfs/dbraw/zinc/93/90/78/819939078.db2.gz JENUGFVQOPBGMC-UHFFFAOYSA-N 2 1 287.382 3.439 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cncc(C2CC2)c1 ZINC001238196229 819954031 /nfs/dbraw/zinc/95/40/31/819954031.db2.gz XKFNAUVYYRQRMC-UHFFFAOYSA-N 2 1 275.440 3.123 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cncc(C2CC2)c1 ZINC001238196229 819954036 /nfs/dbraw/zinc/95/40/36/819954036.db2.gz XKFNAUVYYRQRMC-UHFFFAOYSA-N 2 1 275.440 3.123 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC001241248534 821670002 /nfs/dbraw/zinc/67/00/02/821670002.db2.gz OZQNSSIGMPABHP-GFCCVEGCSA-N 2 1 255.365 3.143 20 0 CGADMP C[N@H+]1CCCC[C@@H]1c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001242021278 822285197 /nfs/dbraw/zinc/28/51/97/822285197.db2.gz FAKYAQJITISGGJ-SOLBZPMBSA-N 2 1 283.419 3.146 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC001340058996 936396574 /nfs/dbraw/zinc/39/65/74/936396574.db2.gz YHWKWTFVUFROJF-AWEZNQCLSA-N 2 1 264.457 3.277 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CCc1ccccc1)C1CC1 ZINC001473822159 937202157 /nfs/dbraw/zinc/20/21/57/937202157.db2.gz HNXPDAAZMCVCFA-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CCc1ccc(F)cc1 ZINC001474627040 937207768 /nfs/dbraw/zinc/20/77/68/937207768.db2.gz YWFMYZQZWMOSRV-OAHLLOKOSA-N 2 1 278.415 3.078 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001308555032 928530989 /nfs/dbraw/zinc/53/09/89/928530989.db2.gz UHRNGXROPWNZQP-DRRXZNNHSA-N 2 1 264.457 3.133 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCc1ccc(F)cc1F)C1CCCCC1 ZINC001327416219 928658773 /nfs/dbraw/zinc/65/87/73/928658773.db2.gz QLJIJEDFFBQLPY-MRXNPFEDSA-N 2 1 282.378 3.005 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001460304591 928744386 /nfs/dbraw/zinc/74/43/86/928744386.db2.gz LQXMJWPXPWSAFQ-LSDHHAIUSA-N 2 1 261.413 3.028 20 0 CGADMP C[Si](C)(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001459438362 937488294 /nfs/dbraw/zinc/48/82/94/937488294.db2.gz OHLZCRVWHSTSEN-INIZCTEOSA-N 2 1 282.548 3.452 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001460531223 937534471 /nfs/dbraw/zinc/53/44/71/937534471.db2.gz DMHAJPBSEFSDIC-IRXDYDNUSA-N 2 1 284.488 3.245 20 0 CGADMP Cc1cc2cc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)oc2cc1C ZINC001461183490 937568749 /nfs/dbraw/zinc/56/87/49/937568749.db2.gz SSQHVRBKZCWWCQ-OAHLLOKOSA-N 2 1 286.419 3.481 20 0 CGADMP Cc1cc2cc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)oc2cc1C ZINC001461183490 937568752 /nfs/dbraw/zinc/56/87/52/937568752.db2.gz SSQHVRBKZCWWCQ-OAHLLOKOSA-N 2 1 286.419 3.481 20 0 CGADMP CCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCCC1 ZINC001461342616 937576750 /nfs/dbraw/zinc/57/67/50/937576750.db2.gz GFNJYTXFZSVMTQ-UHFFFAOYSA-N 2 1 261.413 3.208 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC001461415413 937580240 /nfs/dbraw/zinc/58/02/40/937580240.db2.gz VARRLIRDAAYQRQ-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001461644383 937589971 /nfs/dbraw/zinc/58/99/71/937589971.db2.gz WTCFIKQHHSOCFF-JFIYKMOQSA-N 2 1 294.483 3.331 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001461644383 937589974 /nfs/dbraw/zinc/58/99/74/937589974.db2.gz WTCFIKQHHSOCFF-JFIYKMOQSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@H]1CCCC[C@H]1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001462321726 937632258 /nfs/dbraw/zinc/63/22/58/937632258.db2.gz YAQAWGKHWSZRQA-ROUUACIJSA-N 2 1 297.531 3.018 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC001462410415 937639071 /nfs/dbraw/zinc/63/90/71/937639071.db2.gz MXJHTMGYOSJHFV-MRXNPFEDSA-N 2 1 262.441 3.358 20 0 CGADMP CC[C@@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OC ZINC001307531432 932967354 /nfs/dbraw/zinc/96/73/54/932967354.db2.gz UBAGUMBYBDMRAW-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(C)c(F)c1 ZINC001307639422 932979369 /nfs/dbraw/zinc/97/93/69/932979369.db2.gz OFETWZVYTROVIS-INIZCTEOSA-N 2 1 275.371 3.380 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC001307676367 932985450 /nfs/dbraw/zinc/98/54/50/932985450.db2.gz XSLOVUZVDUACRE-INIZCTEOSA-N 2 1 274.452 3.269 20 0 CGADMP Cc1ccc(C)c(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001307978079 933028412 /nfs/dbraw/zinc/02/84/12/933028412.db2.gz INBCSMVAXGMUHY-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C)c(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001307978079 933028415 /nfs/dbraw/zinc/02/84/15/933028415.db2.gz INBCSMVAXGMUHY-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001307978079 933028420 /nfs/dbraw/zinc/02/84/20/933028420.db2.gz INBCSMVAXGMUHY-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001307978079 933028422 /nfs/dbraw/zinc/02/84/22/933028422.db2.gz INBCSMVAXGMUHY-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C)c(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001307978081 933029578 /nfs/dbraw/zinc/02/95/78/933029578.db2.gz INBCSMVAXGMUHY-ROUUACIJSA-N 2 1 272.436 3.077 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001308015234 933033501 /nfs/dbraw/zinc/03/35/01/933033501.db2.gz BQYITVSIPYCRIF-ZDUSSCGKSA-N 2 1 273.424 3.238 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001308015234 933033506 /nfs/dbraw/zinc/03/35/06/933033506.db2.gz BQYITVSIPYCRIF-ZDUSSCGKSA-N 2 1 273.424 3.238 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC001308553205 933130377 /nfs/dbraw/zinc/13/03/77/933130377.db2.gz IOXDZUFHGSYPHV-YDHLFZDLSA-N 2 1 298.352 3.135 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC001308671567 933153352 /nfs/dbraw/zinc/15/33/52/933153352.db2.gz XVYZNOUSIJBEJP-YJBOKZPZSA-N 2 1 287.451 3.196 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC001308671560 933153774 /nfs/dbraw/zinc/15/37/74/933153774.db2.gz XVYZNOUSIJBEJP-CRAIPNDOSA-N 2 1 287.451 3.196 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001308799105 933178682 /nfs/dbraw/zinc/17/86/82/933178682.db2.gz FCLVYMUBKJPAMP-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001308799105 933178683 /nfs/dbraw/zinc/17/86/83/933178683.db2.gz FCLVYMUBKJPAMP-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@@H]1C[C@@H]1C)C1CCCCC1 ZINC001308851542 933190234 /nfs/dbraw/zinc/19/02/34/933190234.db2.gz QOGNFYCFSXCLPX-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2Cl)[C@@H](C)C1 ZINC001319776204 933931723 /nfs/dbraw/zinc/93/17/23/933931723.db2.gz IEDXXQFUTGINGV-LRDDRELGSA-N 2 1 298.833 3.342 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c(F)cccc2Cl)[C@@H](C)C1 ZINC001319776203 933931874 /nfs/dbraw/zinc/93/18/74/933931874.db2.gz IEDXXQFUTGINGV-BLLLJJGKSA-N 2 1 298.833 3.342 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)[C@@H](C)C1 ZINC001320217264 934017539 /nfs/dbraw/zinc/01/75/39/934017539.db2.gz BVNNHVPWCILKOD-CWVYHPPDSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC001320292257 934024782 /nfs/dbraw/zinc/02/47/82/934024782.db2.gz NSYJWICFSYEEPK-HIEASXQVSA-N 2 1 272.436 3.395 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001320442099 934049270 /nfs/dbraw/zinc/04/92/70/934049270.db2.gz VJKLNYYJLNYRLB-XLAORIBOSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2c(F)cccc2Cl)CC[N@H+]1C ZINC001320578988 934068332 /nfs/dbraw/zinc/06/83/32/934068332.db2.gz ZNCHDUIUJHWPEO-VXGBXAGGSA-N 2 1 284.806 3.094 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC001325742393 934925608 /nfs/dbraw/zinc/92/56/08/934925608.db2.gz DSHCYEFYEJKMSW-HIFRSBDPSA-N 2 1 252.402 3.345 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)[C@H]1CCCC[C@H]1C ZINC001326158335 934954770 /nfs/dbraw/zinc/95/47/70/934954770.db2.gz ATYPCISRBNPRJY-OCCSQVGLSA-N 2 1 298.390 3.341 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2c1 ZINC001326202798 934959012 /nfs/dbraw/zinc/95/90/12/934959012.db2.gz UFDVMZOVAGCPLN-UHFFFAOYSA-N 2 1 295.430 3.200 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1Nc1cc[nH+]c2ccsc21 ZINC001327643617 935075450 /nfs/dbraw/zinc/07/54/50/935075450.db2.gz UYJJENNYJRBNHJ-BXUZGUMPSA-N 2 1 275.421 3.003 20 0 CGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C)oc21 ZINC001331835911 935412921 /nfs/dbraw/zinc/41/29/21/935412921.db2.gz TXENWZLRDAROHK-CHWSQXEVSA-N 2 1 290.407 3.480 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C[C@@H]1[NH3+] ZINC001333159989 935515379 /nfs/dbraw/zinc/51/53/79/935515379.db2.gz BJJBMAASCLSQBS-UONOGXRCSA-N 2 1 287.432 3.026 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)C[C@@H]2C1 ZINC001333891077 936073741 /nfs/dbraw/zinc/07/37/41/936073741.db2.gz JALPHMZMSLKTQL-XYJFISCASA-N 2 1 297.446 3.330 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001333891044 936074248 /nfs/dbraw/zinc/07/42/48/936074248.db2.gz IQEDZCYLZOROLV-KSZLIROESA-N 2 1 272.436 3.157 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)CC[N@@H+]1C ZINC001334185829 936089470 /nfs/dbraw/zinc/08/94/70/936089470.db2.gz FFOXVSFWLNHQSR-JQWIXIFHSA-N 2 1 286.341 3.336 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)CC[N@H+]1C ZINC001334185829 936089474 /nfs/dbraw/zinc/08/94/74/936089474.db2.gz FFOXVSFWLNHQSR-JQWIXIFHSA-N 2 1 286.341 3.336 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001334358201 936099954 /nfs/dbraw/zinc/09/99/54/936099954.db2.gz XKJJSNDGYHBDAQ-XBVQOTNRSA-N 2 1 292.492 3.341 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001335135633 936131111 /nfs/dbraw/zinc/13/11/11/936131111.db2.gz YYZRNPSEJOTXSB-SOUVJXGZSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)cc2)C[C@@H]1C ZINC001335390493 936142869 /nfs/dbraw/zinc/14/28/69/936142869.db2.gz JYOKNBSPCNYTLA-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)cc2)C[C@@H]1C ZINC001335390493 936142871 /nfs/dbraw/zinc/14/28/71/936142871.db2.gz JYOKNBSPCNYTLA-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP COc1ccsc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC001473936946 937831517 /nfs/dbraw/zinc/83/15/17/937831517.db2.gz JDIUAFCJZLIVIB-AWEZNQCLSA-N 2 1 296.480 3.358 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC001473968225 937832843 /nfs/dbraw/zinc/83/28/43/937832843.db2.gz OFOWAAXICSFBRG-NSHDSACASA-N 2 1 288.407 3.431 20 0 CGADMP C[C@@H](C[NH2+]CC1([NH+](C)C)CCOCC1)CC1CCCCC1 ZINC001474009982 937835464 /nfs/dbraw/zinc/83/54/64/937835464.db2.gz KBVLGKHOJGYGRT-MRXNPFEDSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)ccc1C ZINC001474020717 937836049 /nfs/dbraw/zinc/83/60/49/937836049.db2.gz OIUXXZXTHHZQDS-UHFFFAOYSA-N 2 1 271.408 3.378 20 0 CGADMP CCC(CC)(CC)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001474065539 937838739 /nfs/dbraw/zinc/83/87/39/937838739.db2.gz DXFJNOYRDXPDFL-UHFFFAOYSA-N 2 1 263.429 3.454 20 0 CGADMP COc1cccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001474109107 937840907 /nfs/dbraw/zinc/84/09/07/937840907.db2.gz OEUQVDSLVXHGJI-HNNXBMFYSA-N 2 1 276.424 3.049 20 0 CGADMP CCC(CC)C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001474647863 937872754 /nfs/dbraw/zinc/87/27/54/937872754.db2.gz VQEJOGOBYSGKAK-ZBFHGGJFSA-N 2 1 254.462 3.475 20 0 CGADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)o1 ZINC001474685794 937875339 /nfs/dbraw/zinc/87/53/39/937875339.db2.gz BVQYZPKMWLDFOK-CYBMUJFWSA-N 2 1 285.391 3.002 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc[nH+]cc3)cc2)C1 ZINC001515203561 938005043 /nfs/dbraw/zinc/00/50/43/938005043.db2.gz DEPKBSAHQHJSMG-INIZCTEOSA-N 2 1 295.430 3.348 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001550309986 938165406 /nfs/dbraw/zinc/16/54/06/938165406.db2.gz IGFXIXHCSSSOKF-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](C3CCC3)CC2)C1 ZINC001550349148 938165548 /nfs/dbraw/zinc/16/55/48/938165548.db2.gz IELNGUSZBQUCIN-VNQPRFMTSA-N 2 1 250.430 3.016 20 0 CGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2Cc3ccccc3C3(CCC3)C2)C1 ZINC001550350553 938166182 /nfs/dbraw/zinc/16/61/82/938166182.db2.gz ZYQFPKXREYOLBS-GDBMZVCRSA-N 2 1 270.420 3.051 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc4ccccc4c3)C[C@H]2C1 ZINC001550540335 938167481 /nfs/dbraw/zinc/16/74/81/938167481.db2.gz BTIZSOZLQASQOH-WOJBJXKFSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc4ccccc4c3)C[C@H]2C1 ZINC001550540335 938167482 /nfs/dbraw/zinc/16/74/82/938167482.db2.gz BTIZSOZLQASQOH-WOJBJXKFSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@H]2C1 ZINC001550540335 938167483 /nfs/dbraw/zinc/16/74/83/938167483.db2.gz BTIZSOZLQASQOH-WOJBJXKFSA-N 2 1 294.442 3.266 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC001553026197 938196103 /nfs/dbraw/zinc/19/61/03/938196103.db2.gz PPNPKPFBCQJHNM-VMBOVVBDSA-N 2 1 270.420 3.115 20 0 CGADMP c1c2ccccc2[nH]c1[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC001553305500 938197952 /nfs/dbraw/zinc/19/79/52/938197952.db2.gz ZNCGQJHBORPWRI-RDJZCZTQSA-N 2 1 297.446 3.347 20 0 CGADMP OC1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCCCC1 ZINC001559550782 938229088 /nfs/dbraw/zinc/22/90/88/938229088.db2.gz RJJFPXFHSUBZCN-KRWDZBQOSA-N 2 1 294.483 3.022 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC001560186293 938246428 /nfs/dbraw/zinc/24/64/28/938246428.db2.gz DFSGCXFZSCHPDO-MOPGFXCFSA-N 2 1 280.415 3.223 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC001560186293 938246429 /nfs/dbraw/zinc/24/64/29/938246429.db2.gz DFSGCXFZSCHPDO-MOPGFXCFSA-N 2 1 280.415 3.223 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC001560186293 938246430 /nfs/dbraw/zinc/24/64/30/938246430.db2.gz DFSGCXFZSCHPDO-MOPGFXCFSA-N 2 1 280.415 3.223 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cccc(Cl)c1 ZINC001560249730 938249155 /nfs/dbraw/zinc/24/91/55/938249155.db2.gz DMERMIPGTTXQGI-UHFFFAOYSA-N 2 1 289.810 3.133 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)s1 ZINC001560297366 938251772 /nfs/dbraw/zinc/25/17/72/938251772.db2.gz AMUPZUIXMCNBEW-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001560319016 938252691 /nfs/dbraw/zinc/25/26/91/938252691.db2.gz MCGYIKVGEVFJLY-HOCLYGCPSA-N 2 1 275.440 3.452 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001560652643 938268151 /nfs/dbraw/zinc/26/81/51/938268151.db2.gz FOGAXGOUCSDCEN-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001560652643 938268153 /nfs/dbraw/zinc/26/81/53/938268153.db2.gz FOGAXGOUCSDCEN-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001560652643 938268154 /nfs/dbraw/zinc/26/81/54/938268154.db2.gz FOGAXGOUCSDCEN-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)CC1 ZINC001560861299 938280246 /nfs/dbraw/zinc/28/02/46/938280246.db2.gz KFQYGTVYSMHQRP-HNNXBMFYSA-N 2 1 288.435 3.001 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000261563365 957685990 /nfs/dbraw/zinc/68/59/90/957685990.db2.gz BURIIBKBSAGZSE-CWSCBRNRSA-N 2 1 285.229 3.226 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001258773739 960428745 /nfs/dbraw/zinc/42/87/45/960428745.db2.gz AISJXCQLWCXCIP-LBPRGKRZSA-N 2 1 278.362 3.135 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001258773739 960428752 /nfs/dbraw/zinc/42/87/52/960428752.db2.gz AISJXCQLWCXCIP-LBPRGKRZSA-N 2 1 278.362 3.135 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC001577463074 960476707 /nfs/dbraw/zinc/47/67/07/960476707.db2.gz JIIBWDIDGFPDKP-NUJGCVRESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC001576158733 960479966 /nfs/dbraw/zinc/47/99/66/960479966.db2.gz IOYPCUSDQZFHFI-RNCFNFMXSA-N 2 1 297.240 3.009 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCSCc1ccccc1 ZINC001575107416 962337529 /nfs/dbraw/zinc/33/75/29/962337529.db2.gz ANQAOMPXJGCYGP-HNNXBMFYSA-N 2 1 280.481 3.273 20 0 CGADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H]([NH3+])C(C)C ZINC001574979595 962340047 /nfs/dbraw/zinc/34/00/47/962340047.db2.gz JVYOWQWNPSYKQJ-ICDLMJIXSA-N 2 1 298.377 3.264 20 0 CGADMP CC(C)C(C[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1)C(C)C ZINC001575428892 962378617 /nfs/dbraw/zinc/37/86/17/962378617.db2.gz OWOIKNQYZSKBCN-RDJZCZTQSA-N 2 1 266.473 3.366 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001575549415 962386471 /nfs/dbraw/zinc/38/64/71/962386471.db2.gz GXZRWWQEWGTUPA-XYTVBORESA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575531268 962393263 /nfs/dbraw/zinc/39/32/63/962393263.db2.gz NCDQIJPCZKWERO-XHSDSOJGSA-N 2 1 252.446 3.120 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@H+]1CCCC(C)(C)C1 ZINC001575933741 962423215 /nfs/dbraw/zinc/42/32/15/962423215.db2.gz JVRWGRYNXQAITJ-SJORKVTESA-N 2 1 295.515 3.009 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC001575966677 962425095 /nfs/dbraw/zinc/42/50/95/962425095.db2.gz RKACSTWMJLUJJP-CMPLNLGQSA-N 2 1 286.872 3.310 20 0 CGADMP CC1(C)CC[C@H](C[NH2+][C@H]2CCC23CCCC3)[NH2+]C1 ZINC001576421302 962455479 /nfs/dbraw/zinc/45/54/79/962455479.db2.gz LPNOKNMKZTWNIJ-KGLIPLIRSA-N 2 1 250.430 3.077 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]2CCC[NH2+][C@H]21 ZINC001576391690 962458663 /nfs/dbraw/zinc/45/86/63/962458663.db2.gz VWPOEAMMOYSKGN-DJIMGWMZSA-N 2 1 284.403 3.299 20 0 CGADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)[NH2+]C1 ZINC001576422173 962461133 /nfs/dbraw/zinc/46/11/33/962461133.db2.gz TYNCVOWWSOLNOI-HOTGVXAUSA-N 2 1 294.483 3.236 20 0 CGADMP C[C@@H](c1nccc2ccccc21)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC001576607922 962472831 /nfs/dbraw/zinc/47/28/31/962472831.db2.gz LJEYMTYZXQBWBF-VNHYZAJKSA-N 2 1 269.392 3.107 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576623772 962478338 /nfs/dbraw/zinc/47/83/38/962478338.db2.gz MRLJMFFLEQJVRJ-WGMGUUHVSA-N 2 1 272.436 3.108 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1C[NH3+] ZINC001576800459 962493782 /nfs/dbraw/zinc/49/37/82/962493782.db2.gz IXXIORBHMSCCAZ-ZBFHGGJFSA-N 2 1 252.446 3.264 20 0 CGADMP CC[C@H]1CCCCC[N@H+]1Cc1cc(C(C)(C)[NH3+])no1 ZINC001577255710 962516120 /nfs/dbraw/zinc/51/61/20/962516120.db2.gz ZTLHERSIOKBUTC-LBPRGKRZSA-N 2 1 265.401 3.023 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3ccccc3cc2OC)CC[C@@H]1[NH3+] ZINC001577279414 962526933 /nfs/dbraw/zinc/52/69/33/962526933.db2.gz GLWVHMLPIIOOGT-KSSFIOAISA-N 2 1 298.430 3.408 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC001577375380 962532560 /nfs/dbraw/zinc/53/25/60/962532560.db2.gz YFIHPLDSIVSMGP-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP CCc1ccc(C[N@@H+](CC(C)C)C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC001578259679 962582250 /nfs/dbraw/zinc/58/22/50/962582250.db2.gz DYFNUCVGNIIOMY-RBUKOAKNSA-N 2 1 286.463 3.317 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC001579571628 962635336 /nfs/dbraw/zinc/63/53/36/962635336.db2.gz IIVMAKMYCZUUAE-MMUANNJHSA-N 2 1 272.436 3.294 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC001579571628 962635343 /nfs/dbraw/zinc/63/53/43/962635343.db2.gz IIVMAKMYCZUUAE-MMUANNJHSA-N 2 1 272.436 3.294 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)cc1F ZINC001579690775 962653898 /nfs/dbraw/zinc/65/38/98/962653898.db2.gz ADUGRIJRBTZYBU-WBVHZDCISA-N 2 1 276.399 3.085 20 0 CGADMP Cc1ccc(CC[NH2+][C@@]2(C[NH3+])CCCC[C@@H]2C)cc1 ZINC001579687298 962655383 /nfs/dbraw/zinc/65/53/83/962655383.db2.gz FKCBAJMQMVMOSJ-DOTOQJQBSA-N 2 1 260.425 3.035 20 0 CGADMP Cc1sccc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001579937195 962679766 /nfs/dbraw/zinc/67/97/66/962679766.db2.gz NIGARUHDYULUMP-HNNXBMFYSA-N 2 1 266.454 3.253 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C12CCC2 ZINC001580162807 962695840 /nfs/dbraw/zinc/69/58/40/962695840.db2.gz GAGNGIOOFIQUJC-QWHCGFSZSA-N 2 1 285.218 3.353 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001580170490 962698423 /nfs/dbraw/zinc/69/84/23/962698423.db2.gz VPYYWSNCAGBDOB-TUAOUCFPSA-N 2 1 299.245 3.348 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001580170490 962698438 /nfs/dbraw/zinc/69/84/38/962698438.db2.gz VPYYWSNCAGBDOB-TUAOUCFPSA-N 2 1 299.245 3.348 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)CC(F)F ZINC001580132888 962698983 /nfs/dbraw/zinc/69/89/83/962698983.db2.gz RFLRSZCGYMRUDD-KWCYVHTRSA-N 2 1 286.341 3.034 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCOc1cccc3ccccc31)C2 ZINC001580157558 962701005 /nfs/dbraw/zinc/70/10/05/962701005.db2.gz JYXPLQLIARYDMO-VQIMIIECSA-N 2 1 296.414 3.032 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCOc1cccc3ccccc31)C2 ZINC001580157558 962701018 /nfs/dbraw/zinc/70/10/18/962701018.db2.gz JYXPLQLIARYDMO-VQIMIIECSA-N 2 1 296.414 3.032 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC001580243342 962710029 /nfs/dbraw/zinc/71/00/29/962710029.db2.gz CLLMMFUUDMTICJ-CQSZACIVSA-N 2 1 294.389 3.273 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC001580337113 962715141 /nfs/dbraw/zinc/71/51/41/962715141.db2.gz KVVQRHSVONXZRH-KRWDZBQOSA-N 2 1 270.351 3.231 20 0 CGADMP [NH3+]CCC[N@@H+](CCc1ccc(F)cc1F)CC1CCCC1 ZINC001580297041 962715838 /nfs/dbraw/zinc/71/58/38/962715838.db2.gz DMOSICXTCWRQAZ-UHFFFAOYSA-N 2 1 296.405 3.348 20 0 CGADMP c1ccc(SC2CC([NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC001580895794 962738581 /nfs/dbraw/zinc/73/85/81/962738581.db2.gz SJLVBPYPTSTHIH-BCLQGDPASA-N 2 1 288.460 3.184 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000651228852 398219380 /nfs/dbraw/zinc/21/93/80/398219380.db2.gz MEEYOGQYLPCYFX-GOEBONIOSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000124688682 187148701 /nfs/dbraw/zinc/14/87/01/187148701.db2.gz PDHJPBUSYFDWTI-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000124688682 187148702 /nfs/dbraw/zinc/14/87/02/187148702.db2.gz PDHJPBUSYFDWTI-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC000621729103 349569224 /nfs/dbraw/zinc/56/92/24/349569224.db2.gz JBGLTJCRKPBXEC-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC000621729103 349569229 /nfs/dbraw/zinc/56/92/29/349569229.db2.gz JBGLTJCRKPBXEC-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC000621729103 349569235 /nfs/dbraw/zinc/56/92/35/349569235.db2.gz JBGLTJCRKPBXEC-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC000621729103 349569238 /nfs/dbraw/zinc/56/92/38/349569238.db2.gz JBGLTJCRKPBXEC-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781691 349585062 /nfs/dbraw/zinc/58/50/62/349585062.db2.gz HUODLGXIQSLYLL-PVXIVEMSSA-N 2 1 296.361 3.162 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781691 349585063 /nfs/dbraw/zinc/58/50/63/349585063.db2.gz HUODLGXIQSLYLL-PVXIVEMSSA-N 2 1 296.361 3.162 20 0 CGADMP Cc1[nH+]ccn1CCCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000337828353 214278698 /nfs/dbraw/zinc/27/86/98/214278698.db2.gz USEMIEQOUHKACM-UHFFFAOYSA-N 2 1 294.402 3.281 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000622003854 349620700 /nfs/dbraw/zinc/62/07/00/349620700.db2.gz GLWZIIBKCPEHDL-PKOBYXMFSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000622003854 349620703 /nfs/dbraw/zinc/62/07/03/349620703.db2.gz GLWZIIBKCPEHDL-PKOBYXMFSA-N 2 1 293.414 3.062 20 0 CGADMP COc1ccc2cc(C[N@@H+]3C[C@H]4CCC[C@]4([NH3+])C3)ccc2c1 ZINC000622005329 349621021 /nfs/dbraw/zinc/62/10/21/349621021.db2.gz BMLXBTNZEIEOAD-MJGOQNOKSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@H]4CCC[C@]4([NH3+])C3)ccc2c1 ZINC000622005329 349621025 /nfs/dbraw/zinc/62/10/25/349621025.db2.gz BMLXBTNZEIEOAD-MJGOQNOKSA-N 2 1 296.414 3.162 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000096971774 185144419 /nfs/dbraw/zinc/14/44/19/185144419.db2.gz MKGAFTXVGSMVGV-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000096971774 185144420 /nfs/dbraw/zinc/14/44/20/185144420.db2.gz MKGAFTXVGSMVGV-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000096971774 185144421 /nfs/dbraw/zinc/14/44/21/185144421.db2.gz MKGAFTXVGSMVGV-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP C[C@H]1CCCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651828176 398294564 /nfs/dbraw/zinc/29/45/64/398294564.db2.gz YDYXKRGKBUTZAZ-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccco1 ZINC000651866003 398298723 /nfs/dbraw/zinc/29/87/23/398298723.db2.gz PYLKUKRGHPJHJY-OAHLLOKOSA-N 2 1 266.429 3.168 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CCC(F)(F)F ZINC000651866011 398298875 /nfs/dbraw/zinc/29/88/75/398298875.db2.gz QJRCTESOHBKUAK-GFCCVEGCSA-N 2 1 268.367 3.285 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000338017719 214362525 /nfs/dbraw/zinc/36/25/25/214362525.db2.gz PINDKWIXIGBKCZ-KRWDZBQOSA-N 2 1 287.382 3.388 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000125692044 187196475 /nfs/dbraw/zinc/19/64/75/187196475.db2.gz PPJLZHNGBOLENX-BRWVUGGUSA-N 2 1 290.451 3.082 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000449132031 529592605 /nfs/dbraw/zinc/59/26/05/529592605.db2.gz RHDKVJJXDPZYAN-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@H]([NH2+]CCSCc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422774641 529604981 /nfs/dbraw/zinc/60/49/81/529604981.db2.gz XVTUTEWLICVTRP-HOTGVXAUSA-N 2 1 296.455 3.179 20 0 CGADMP Cc1ccc(OCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623341826 349782890 /nfs/dbraw/zinc/78/28/90/349782890.db2.gz SWXHNLHEXKVDKB-INIZCTEOSA-N 2 1 290.451 3.145 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000270623937 282207687 /nfs/dbraw/zinc/20/76/87/282207687.db2.gz DXRUBYJBQXDJPV-RDJZCZTQSA-N 2 1 283.419 3.378 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000270623937 282207688 /nfs/dbraw/zinc/20/76/88/282207688.db2.gz DXRUBYJBQXDJPV-RDJZCZTQSA-N 2 1 283.419 3.378 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623360393 349789405 /nfs/dbraw/zinc/78/94/05/349789405.db2.gz HWUIHENWMGBOPA-MRXNPFEDSA-N 2 1 290.426 3.320 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1F ZINC000424379584 529655624 /nfs/dbraw/zinc/65/56/24/529655624.db2.gz VQWPAOXSRVEAEF-QLFBSQMISA-N 2 1 250.361 3.136 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623347674 349784406 /nfs/dbraw/zinc/78/44/06/349784406.db2.gz IBIPXTKWBWJZRE-QGZVFWFLSA-N 2 1 290.451 3.186 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)CC1(C)C ZINC000623347238 349784995 /nfs/dbraw/zinc/78/49/95/349784995.db2.gz UDDRMWYWQWQTHJ-JTQLQIEISA-N 2 1 272.845 3.364 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)CC1(C)C ZINC000623347238 349784999 /nfs/dbraw/zinc/78/49/99/349784999.db2.gz UDDRMWYWQWQTHJ-JTQLQIEISA-N 2 1 272.845 3.364 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623351378 349786110 /nfs/dbraw/zinc/78/61/10/349786110.db2.gz NNSYEJNKCZICDJ-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CCC1 ZINC000449183103 529681723 /nfs/dbraw/zinc/68/17/23/529681723.db2.gz KSLPMYKZOMRBGO-QGZVFWFLSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CSCc3ccccc32)CC1(C)C ZINC000623381905 349795114 /nfs/dbraw/zinc/79/51/14/349795114.db2.gz NRWBUNSCKRLPFX-GOEBONIOSA-N 2 1 290.476 3.437 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSCc3ccccc32)CC1(C)C ZINC000623381905 349795117 /nfs/dbraw/zinc/79/51/17/349795117.db2.gz NRWBUNSCKRLPFX-GOEBONIOSA-N 2 1 290.476 3.437 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623426605 349805916 /nfs/dbraw/zinc/80/59/16/349805916.db2.gz SULQWWKSIXNOMI-GXTWGEPZSA-N 2 1 280.481 3.450 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1(C)C ZINC000623453296 349813098 /nfs/dbraw/zinc/81/30/98/349813098.db2.gz IHJCFNSEJOJCKW-CVEARBPZSA-N 2 1 294.483 3.331 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000351347378 219093170 /nfs/dbraw/zinc/09/31/70/219093170.db2.gz ADRLAFJGBXPSFG-UHFFFAOYSA-N 2 1 254.805 3.114 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000351347378 219093172 /nfs/dbraw/zinc/09/31/72/219093172.db2.gz ADRLAFJGBXPSFG-UHFFFAOYSA-N 2 1 254.805 3.114 20 0 CGADMP CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623492882 349820388 /nfs/dbraw/zinc/82/03/88/349820388.db2.gz MYIUIKZZGDXLHX-WDEREUQCSA-N 2 1 266.351 3.180 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506338 349822975 /nfs/dbraw/zinc/82/29/75/349822975.db2.gz NZFAVPNZVORNGB-JKSUJKDBSA-N 2 1 294.483 3.331 20 0 CGADMP Cc1cscc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623509222 349823467 /nfs/dbraw/zinc/82/34/67/349823467.db2.gz WLTNIUSCPPNLRH-CYBMUJFWSA-N 2 1 252.427 3.019 20 0 CGADMP Cc1cscc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623509222 349823475 /nfs/dbraw/zinc/82/34/75/349823475.db2.gz WLTNIUSCPPNLRH-CYBMUJFWSA-N 2 1 252.427 3.019 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)CC1(C)C ZINC000623535211 349828255 /nfs/dbraw/zinc/82/82/55/349828255.db2.gz QFTLRINKEDQFIE-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1cccc(C)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657515 349859434 /nfs/dbraw/zinc/85/94/34/349859434.db2.gz SLHCRHQFFNCXPB-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP CC(C)C(C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000623657535 349860169 /nfs/dbraw/zinc/86/01/69/349860169.db2.gz TYHJQRFFIKUEJY-HNNXBMFYSA-N 2 1 254.462 3.236 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000623654719 349857079 /nfs/dbraw/zinc/85/70/79/349857079.db2.gz HBUGEFYIKOITCM-CYBMUJFWSA-N 2 1 298.377 3.110 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000623654719 349857084 /nfs/dbraw/zinc/85/70/84/349857084.db2.gz HBUGEFYIKOITCM-CYBMUJFWSA-N 2 1 298.377 3.110 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000623656599 349858301 /nfs/dbraw/zinc/85/83/01/349858301.db2.gz YBOVSUGIOMCJSJ-ZBZNSMLMSA-N 2 1 258.409 3.021 20 0 CGADMP C[N@@H+](CCCCOC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC000354860283 529885026 /nfs/dbraw/zinc/88/50/26/529885026.db2.gz LPEYCZTTWWTHLM-INIZCTEOSA-N 2 1 284.488 3.388 20 0 CGADMP C[NH+](CCCCOC(C)(C)C)CC[C@@H]1CCCC[N@@H+]1C ZINC000354860283 529885028 /nfs/dbraw/zinc/88/50/28/529885028.db2.gz LPEYCZTTWWTHLM-INIZCTEOSA-N 2 1 284.488 3.388 20 0 CGADMP C[NH+](CCCCOC(C)(C)C)CC[C@@H]1CCCC[N@H+]1C ZINC000354860283 529885029 /nfs/dbraw/zinc/88/50/29/529885029.db2.gz LPEYCZTTWWTHLM-INIZCTEOSA-N 2 1 284.488 3.388 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCCO1 ZINC000623864122 349899555 /nfs/dbraw/zinc/89/95/55/349899555.db2.gz HBDWXARMQGFSAB-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC12CC2 ZINC000424186713 529999132 /nfs/dbraw/zinc/99/91/32/529999132.db2.gz TVCDIYZCBSXOJZ-INIZCTEOSA-N 2 1 272.436 3.287 20 0 CGADMP C[NH+]1CCC([NH2+]CC2(C)CCC(C)(C)CC2)CC1 ZINC000414256245 530050442 /nfs/dbraw/zinc/05/04/42/530050442.db2.gz VXNZEKYNISFMEM-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH+](C)Cc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623930728 349919650 /nfs/dbraw/zinc/91/96/50/349919650.db2.gz YBJQWWKTLGVAIJ-MRXNPFEDSA-N 2 1 275.440 3.033 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000040622224 344964566 /nfs/dbraw/zinc/96/45/66/344964566.db2.gz UYMNXZRXOUFVMW-NSHDSACASA-N 2 1 272.845 3.221 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000040622224 344964569 /nfs/dbraw/zinc/96/45/69/344964569.db2.gz UYMNXZRXOUFVMW-NSHDSACASA-N 2 1 272.845 3.221 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC000295117369 199354179 /nfs/dbraw/zinc/35/41/79/199354179.db2.gz WWNWPCZMEGYLSC-ZRUXZUCSSA-N 2 1 294.389 3.283 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086904471 345751579 /nfs/dbraw/zinc/75/15/79/345751579.db2.gz IBLUWGKASBQOAA-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000090115808 345784169 /nfs/dbraw/zinc/78/41/69/345784169.db2.gz JUPVHOYNSSDXPW-IOASZLSFSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000090853907 345796508 /nfs/dbraw/zinc/79/65/08/345796508.db2.gz OOGVHHOKKURERD-VCBZYWHSSA-N 2 1 286.463 3.110 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092799248 345858942 /nfs/dbraw/zinc/85/89/42/345858942.db2.gz QZMLPOGWOSRBLT-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092799248 345858943 /nfs/dbraw/zinc/85/89/43/345858943.db2.gz QZMLPOGWOSRBLT-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccoc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066833 345829110 /nfs/dbraw/zinc/82/91/10/345829110.db2.gz BZOSPJPUHPMBAH-ZBFHGGJFSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066833 345829111 /nfs/dbraw/zinc/82/91/11/345829111.db2.gz BZOSPJPUHPMBAH-ZBFHGGJFSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066833 345829113 /nfs/dbraw/zinc/82/91/13/345829113.db2.gz BZOSPJPUHPMBAH-ZBFHGGJFSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066833 345829114 /nfs/dbraw/zinc/82/91/14/345829114.db2.gz BZOSPJPUHPMBAH-ZBFHGGJFSA-N 2 1 274.408 3.037 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccsc2C)C[C@@H]1C ZINC000351643464 219160187 /nfs/dbraw/zinc/16/01/87/219160187.db2.gz DKNRGKLLUOROMV-WFASDCNBSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2C)C[C@@H]1C ZINC000351643464 219160190 /nfs/dbraw/zinc/16/01/90/219160190.db2.gz DKNRGKLLUOROMV-WFASDCNBSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2C)C[C@@H]1C ZINC000351643464 219160194 /nfs/dbraw/zinc/16/01/94/219160194.db2.gz DKNRGKLLUOROMV-WFASDCNBSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2C)C[C@@H]1C ZINC000351643464 219160195 /nfs/dbraw/zinc/16/01/95/219160195.db2.gz DKNRGKLLUOROMV-WFASDCNBSA-N 2 1 266.454 3.361 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCCC2)CC1 ZINC000127370685 346030627 /nfs/dbraw/zinc/03/06/27/346030627.db2.gz BBNHVGHLALMZMY-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129361779 346049640 /nfs/dbraw/zinc/04/96/40/346049640.db2.gz WIGWYTKPLISXIX-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP CC1(C)CCC[C@@H]1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624027429 349950175 /nfs/dbraw/zinc/95/01/75/349950175.db2.gz UCDCKCSQQMYWEE-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000252217285 346390623 /nfs/dbraw/zinc/39/06/23/346390623.db2.gz YARNCZLORWOIST-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000252694273 346392199 /nfs/dbraw/zinc/39/21/99/346392199.db2.gz ZNLHZPGRNXPLOC-JYJNAYRXSA-N 2 1 260.425 3.342 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000119126460 370646924 /nfs/dbraw/zinc/64/69/24/370646924.db2.gz CSBFRSYTEJCYAB-ZMSDIMECSA-N 2 1 290.451 3.089 20 0 CGADMP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000310759401 346472263 /nfs/dbraw/zinc/47/22/63/346472263.db2.gz KVRLDRYQKBHFKN-ZBFHGGJFSA-N 2 1 252.446 3.133 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000119126460 370646931 /nfs/dbraw/zinc/64/69/31/370646931.db2.gz CSBFRSYTEJCYAB-ZMSDIMECSA-N 2 1 290.451 3.089 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC000382083972 346559811 /nfs/dbraw/zinc/55/98/11/346559811.db2.gz RVSRPSBBFRUTMT-UHFFFAOYSA-N 2 1 284.403 3.046 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000401711211 346592495 /nfs/dbraw/zinc/59/24/95/346592495.db2.gz ICGXPQYIAGYYKW-UHFFFAOYSA-N 2 1 261.413 3.055 20 0 CGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc2ccccc21 ZINC000584700633 346708343 /nfs/dbraw/zinc/70/83/43/346708343.db2.gz YIRWXVQVKGKGPC-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000624120084 349977591 /nfs/dbraw/zinc/97/75/91/349977591.db2.gz QZESBLRZXJVOKI-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP CSCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602498355 347969759 /nfs/dbraw/zinc/96/97/59/347969759.db2.gz ISCWNCDJEOQVBD-NVXWUHKLSA-N 2 1 290.476 3.307 20 0 CGADMP CSCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602498355 347969761 /nfs/dbraw/zinc/96/97/61/347969761.db2.gz ISCWNCDJEOQVBD-NVXWUHKLSA-N 2 1 290.476 3.307 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000624122091 349980443 /nfs/dbraw/zinc/98/04/43/349980443.db2.gz JMHIZLJWJIDTEU-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121660 349980475 /nfs/dbraw/zinc/98/04/75/349980475.db2.gz ALOIKPYEBMFOIG-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000624123051 349981992 /nfs/dbraw/zinc/98/19/92/349981992.db2.gz DVBCLHFYWJNLJT-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nccc2ccccc21 ZINC000607167365 348227353 /nfs/dbraw/zinc/22/73/53/348227353.db2.gz LJKWUVHJEGHARN-AWEZNQCLSA-N 2 1 294.402 3.166 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000624123282 349983130 /nfs/dbraw/zinc/98/31/30/349983130.db2.gz IYCDDWUBIIDWBE-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H](C)C[NH+](C/C=C\C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000613319805 348589644 /nfs/dbraw/zinc/58/96/44/348589644.db2.gz PKWYBTQGFIMSOI-HMBYZQHASA-N 2 1 278.484 3.498 20 0 CGADMP CSc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000358033962 233043776 /nfs/dbraw/zinc/04/37/76/233043776.db2.gz MIOVSCZWDFXVFP-OAHLLOKOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000358033962 233043779 /nfs/dbraw/zinc/04/37/79/233043779.db2.gz MIOVSCZWDFXVFP-OAHLLOKOSA-N 2 1 290.476 3.326 20 0 CGADMP Cc1cc(NCC[N@@H+]2CCCC[C@@H]2C)c2ccccc2[nH+]1 ZINC000613491178 348611136 /nfs/dbraw/zinc/61/11/36/348611136.db2.gz HLGGGMKOECDYDE-HNNXBMFYSA-N 2 1 283.419 3.251 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)CC[N@H+]1C ZINC000624272270 350015988 /nfs/dbraw/zinc/01/59/88/350015988.db2.gz AQICNYWIHPKGDV-NEPJUHHUSA-N 2 1 278.362 3.181 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213164 191005920 /nfs/dbraw/zinc/00/59/20/191005920.db2.gz VLIBJZBBKRVTHU-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213164 191005923 /nfs/dbraw/zinc/00/59/23/191005923.db2.gz VLIBJZBBKRVTHU-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213164 191005925 /nfs/dbraw/zinc/00/59/25/191005925.db2.gz VLIBJZBBKRVTHU-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP c1csc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359197145 233278693 /nfs/dbraw/zinc/27/86/93/233278693.db2.gz AOZANGALESUIFN-CQSZACIVSA-N 2 1 264.438 3.275 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000625445629 350173605 /nfs/dbraw/zinc/17/36/05/350173605.db2.gz GFSLRUGQXYRBAG-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000625445629 350173607 /nfs/dbraw/zinc/17/36/07/350173607.db2.gz GFSLRUGQXYRBAG-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000625445629 350173609 /nfs/dbraw/zinc/17/36/09/350173609.db2.gz GFSLRUGQXYRBAG-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625787110 350214186 /nfs/dbraw/zinc/21/41/86/350214186.db2.gz VCNABUWWQDJJBM-SFHVURJKSA-N 2 1 298.434 3.498 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CC[N@H+]1C ZINC000359717612 233364507 /nfs/dbraw/zinc/36/45/07/233364507.db2.gz JGBZLACJUMVZIE-PBHICJAKSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@]12CCCC[C@H]1C[N@H+]2CCC[NH+]1CCCCC1 ZINC000626103822 350260864 /nfs/dbraw/zinc/26/08/64/350260864.db2.gz RLQMGCKWRBCCSR-HOTGVXAUSA-N 2 1 250.430 3.127 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3[nH]ccc3c2)C[C@H]1C ZINC000628183267 350427953 /nfs/dbraw/zinc/42/79/53/350427953.db2.gz VNPAVRIIGVDXNY-PBHICJAKSA-N 2 1 285.435 3.473 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000628292738 350481727 /nfs/dbraw/zinc/48/17/27/350481727.db2.gz RCOVNPODGGJZHO-SJLPKXTDSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000628292738 350481731 /nfs/dbraw/zinc/48/17/31/350481731.db2.gz RCOVNPODGGJZHO-SJLPKXTDSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000628292738 350481735 /nfs/dbraw/zinc/48/17/35/350481735.db2.gz RCOVNPODGGJZHO-SJLPKXTDSA-N 2 1 272.436 3.126 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000424268228 282711703 /nfs/dbraw/zinc/71/17/03/282711703.db2.gz ZQIRAJPYUGPXNR-QGZVFWFLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC000629535394 350704818 /nfs/dbraw/zinc/70/48/18/350704818.db2.gz CBFCBOYXSAEEKJ-SIXLDLHFSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC000629535395 350705047 /nfs/dbraw/zinc/70/50/47/350705047.db2.gz CBFCBOYXSAEEKJ-XBVQOTNRSA-N 2 1 258.409 3.053 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000629559337 350712881 /nfs/dbraw/zinc/71/28/81/350712881.db2.gz AVPGUBCHVVYPMQ-KBPBESRZSA-N 2 1 292.389 3.416 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1C(F)(F)F ZINC000629561803 350713486 /nfs/dbraw/zinc/71/34/86/350713486.db2.gz JPQWSHLNPSLEMW-OLZOCXBDSA-N 2 1 278.362 3.026 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000629592165 350715414 /nfs/dbraw/zinc/71/54/14/350715414.db2.gz BHSRKBQBIYCZKR-GASCZTMLSA-N 2 1 298.352 3.137 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000629592165 350715417 /nfs/dbraw/zinc/71/54/17/350715417.db2.gz BHSRKBQBIYCZKR-GASCZTMLSA-N 2 1 298.352 3.137 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000629407683 350689319 /nfs/dbraw/zinc/68/93/19/350689319.db2.gz HYTNBPNKCHMEFF-DDUYRFODSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000631606474 351088496 /nfs/dbraw/zinc/08/84/96/351088496.db2.gz JPRSMEITDQJJDH-HNNXBMFYSA-N 2 1 297.446 3.341 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679665 351565056 /nfs/dbraw/zinc/56/50/56/351565056.db2.gz BEVSXTHZWZIWAZ-JKSUJKDBSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679665 351565061 /nfs/dbraw/zinc/56/50/61/351565061.db2.gz BEVSXTHZWZIWAZ-JKSUJKDBSA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634679762 351565763 /nfs/dbraw/zinc/56/57/63/351565763.db2.gz CSHVJWXWSXRYIA-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634679762 351565767 /nfs/dbraw/zinc/56/57/67/351565767.db2.gz CSHVJWXWSXRYIA-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2c1 ZINC000634688532 351573685 /nfs/dbraw/zinc/57/36/85/351573685.db2.gz VURPMWBZLZNELC-HZPDHXFCSA-N 2 1 295.430 3.056 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CNc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000635010094 351628578 /nfs/dbraw/zinc/62/85/78/351628578.db2.gz YGAJHWNUYIQPAC-TWKWOARYSA-N 2 1 299.462 3.048 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cn1 ZINC000635012677 351630765 /nfs/dbraw/zinc/63/07/65/351630765.db2.gz VGHKMWDIFIXUNJ-ZIAGYGMSSA-N 2 1 279.403 3.040 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000123387151 187089049 /nfs/dbraw/zinc/08/90/49/187089049.db2.gz BXDYZIAYNPKALA-GXTWGEPZSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000123387151 187089050 /nfs/dbraw/zinc/08/90/50/187089050.db2.gz BXDYZIAYNPKALA-GXTWGEPZSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH+]1C ZINC000123387151 187089051 /nfs/dbraw/zinc/08/90/51/187089051.db2.gz BXDYZIAYNPKALA-GXTWGEPZSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH+]1C ZINC000123387151 187089052 /nfs/dbraw/zinc/08/90/52/187089052.db2.gz BXDYZIAYNPKALA-GXTWGEPZSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC1 ZINC000271480185 191162110 /nfs/dbraw/zinc/16/21/10/191162110.db2.gz KGLILEXTSASVBE-MAUKXSAKSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC1 ZINC000271480185 191162113 /nfs/dbraw/zinc/16/21/13/191162113.db2.gz KGLILEXTSASVBE-MAUKXSAKSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000271491554 191170689 /nfs/dbraw/zinc/17/06/89/191170689.db2.gz UNRCZOOHANZIBO-UXLLHSPISA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000271491554 191170691 /nfs/dbraw/zinc/17/06/91/191170691.db2.gz UNRCZOOHANZIBO-UXLLHSPISA-N 2 1 289.467 3.409 20 0 CGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000365634364 234118829 /nfs/dbraw/zinc/11/88/29/234118829.db2.gz YIJNPPJDFPORNE-GFCCVEGCSA-N 2 1 289.345 3.332 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152435003 188018503 /nfs/dbraw/zinc/01/85/03/188018503.db2.gz PBJHFZGLIOYHAA-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152435003 188018504 /nfs/dbraw/zinc/01/85/04/188018504.db2.gz PBJHFZGLIOYHAA-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152435003 188018505 /nfs/dbraw/zinc/01/85/05/188018505.db2.gz PBJHFZGLIOYHAA-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152435003 188018507 /nfs/dbraw/zinc/01/85/07/188018507.db2.gz PBJHFZGLIOYHAA-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000153492108 188085187 /nfs/dbraw/zinc/08/51/87/188085187.db2.gz ZXPSNPIZDDXPAW-JKSUJKDBSA-N 2 1 292.492 3.441 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000155185265 188189836 /nfs/dbraw/zinc/18/98/36/188189836.db2.gz VRJURNIFZUVUON-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000155185265 188189837 /nfs/dbraw/zinc/18/98/37/188189837.db2.gz VRJURNIFZUVUON-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccs1 ZINC000155185265 188189839 /nfs/dbraw/zinc/18/98/39/188189839.db2.gz VRJURNIFZUVUON-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccs1 ZINC000155185265 188189840 /nfs/dbraw/zinc/18/98/40/188189840.db2.gz VRJURNIFZUVUON-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000157647570 188330048 /nfs/dbraw/zinc/33/00/48/188330048.db2.gz OOYWQMLMPDNCKV-HZPDHXFCSA-N 2 1 272.436 3.099 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)CCC2 ZINC000420387469 283004255 /nfs/dbraw/zinc/00/42/55/283004255.db2.gz WDWLBPMONCTINK-QZTJIDSGSA-N 2 1 288.410 3.279 20 0 CGADMP C[N@H+]1CC=C(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000271770040 191314531 /nfs/dbraw/zinc/31/45/31/191314531.db2.gz BHICGYBLQFLKMX-UHFFFAOYSA-N 2 1 285.218 3.345 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000271770040 191314533 /nfs/dbraw/zinc/31/45/33/191314533.db2.gz BHICGYBLQFLKMX-UHFFFAOYSA-N 2 1 285.218 3.345 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000271770455 191316229 /nfs/dbraw/zinc/31/62/29/191316229.db2.gz INMHQNJAAIZNGZ-MRXNPFEDSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000271770451 191316663 /nfs/dbraw/zinc/31/66/63/191316663.db2.gz INMHQNJAAIZNGZ-INIZCTEOSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000271803755 191336890 /nfs/dbraw/zinc/33/68/90/191336890.db2.gz PQJPFVVYXHIALN-UHFFFAOYSA-N 2 1 271.408 3.415 20 0 CGADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc12 ZINC000271855942 191369503 /nfs/dbraw/zinc/36/95/03/191369503.db2.gz UQSLSBXJYPKUFT-UHFFFAOYSA-N 2 1 296.414 3.200 20 0 CGADMP Cc1cc(NCCCC[N@H+](C)C2CC2)c2ccccc2[nH+]1 ZINC000413345529 235270626 /nfs/dbraw/zinc/27/06/26/235270626.db2.gz FUBIVYNMYRZHLK-UHFFFAOYSA-N 2 1 283.419 3.251 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172670 235353848 /nfs/dbraw/zinc/35/38/48/235353848.db2.gz DZRZSDQSKHJTEI-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000106868543 138355536 /nfs/dbraw/zinc/35/55/36/138355536.db2.gz LGYMBWBPYHPMPT-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000110117049 138362924 /nfs/dbraw/zinc/36/29/24/138362924.db2.gz RUUDGDQIPGYVIA-UHFFFAOYSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000123728018 138369749 /nfs/dbraw/zinc/36/97/49/138369749.db2.gz CNMZGYRFOFBZKN-CQSZACIVSA-N 2 1 254.443 3.170 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000125967188 138384601 /nfs/dbraw/zinc/38/46/01/138384601.db2.gz ICQPMPNVOPNNOK-HOTGVXAUSA-N 2 1 292.471 3.235 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000125967188 138384602 /nfs/dbraw/zinc/38/46/02/138384602.db2.gz ICQPMPNVOPNNOK-HOTGVXAUSA-N 2 1 292.471 3.235 20 0 CGADMP CCC[N@@H+](CCO[C@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000431079984 283266430 /nfs/dbraw/zinc/26/64/30/283266430.db2.gz KNTWRWVCLGLHIC-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccs1 ZINC000423259016 236011589 /nfs/dbraw/zinc/01/15/89/236011589.db2.gz CYDJPKPYHCTHCF-AAEUAGOBSA-N 2 1 252.427 3.306 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCS2 ZINC000423279477 236019368 /nfs/dbraw/zinc/01/93/68/236019368.db2.gz SAHQWTOIILNVBX-CABCVRRESA-N 2 1 278.465 3.413 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423278962 236019494 /nfs/dbraw/zinc/01/94/94/236019494.db2.gz QOPOUVVTKGHFRQ-BMFZPTHFSA-N 2 1 278.827 3.303 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc2ccccc21 ZINC000423284912 236023081 /nfs/dbraw/zinc/02/30/81/236023081.db2.gz XMVWIPJWPDEAOE-SJCJKPOMSA-N 2 1 254.377 3.228 20 0 CGADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc2c(ccc3ccccc23)o1 ZINC000423308767 236033644 /nfs/dbraw/zinc/03/36/44/236033644.db2.gz YHZWGRMXRFVAJC-LBPRGKRZSA-N 2 1 280.371 3.456 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423316887 236035518 /nfs/dbraw/zinc/03/55/18/236035518.db2.gz BMQGYNGEBXKDKU-DYVFJYSZSA-N 2 1 272.367 3.046 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423319259 236036619 /nfs/dbraw/zinc/03/66/19/236036619.db2.gz DWKZIYLUUAZEAO-ZIAGYGMSSA-N 2 1 254.377 3.351 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423453733 236074498 /nfs/dbraw/zinc/07/44/98/236074498.db2.gz XZGIODRBAOVLTL-IHRRRGAJSA-N 2 1 269.392 3.135 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423454949 236074949 /nfs/dbraw/zinc/07/49/49/236074949.db2.gz ZRWUNHKSWCEENS-PKFCDNJMSA-N 2 1 252.789 3.116 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000423503630 236088727 /nfs/dbraw/zinc/08/87/27/236088727.db2.gz FZHBOIZHIIFSLJ-AKHDSKFASA-N 2 1 284.447 3.300 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1CCCC1 ZINC000423509942 236089659 /nfs/dbraw/zinc/08/96/59/236089659.db2.gz RSDZJTWREPAEJS-SJORKVTESA-N 2 1 276.399 3.310 20 0 CGADMP C[C@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424379370 236158904 /nfs/dbraw/zinc/15/89/04/236158904.db2.gz ONRZCGGNVMODNX-HUUCEWRRSA-N 2 1 290.426 3.393 20 0 CGADMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000262045903 138559327 /nfs/dbraw/zinc/55/93/27/138559327.db2.gz PQSWGWIRORVEHV-PBHICJAKSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262206650 138560309 /nfs/dbraw/zinc/56/03/09/138560309.db2.gz LBDNFHQFKBNEAK-IBGZPJMESA-N 2 1 286.463 3.331 20 0 CGADMP CN(Cc1cccc([O-])c1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294652537 199124083 /nfs/dbraw/zinc/12/40/83/199124083.db2.gz KZAPANNEKUQMOK-PBWFPOADSA-N 2 1 294.826 3.103 20 0 CGADMP CN(Cc1cccc([O-])c1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294652537 199124085 /nfs/dbraw/zinc/12/40/85/199124085.db2.gz KZAPANNEKUQMOK-PBWFPOADSA-N 2 1 294.826 3.103 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000297727563 200269609 /nfs/dbraw/zinc/26/96/09/200269609.db2.gz SFIAQBURMNRJSR-LBPRGKRZSA-N 2 1 275.421 3.035 20 0 CGADMP COCCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979328 189083125 /nfs/dbraw/zinc/08/31/25/189083125.db2.gz DESLHLLZEJSDMN-INIZCTEOSA-N 2 1 292.467 3.432 20 0 CGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178597226 189129602 /nfs/dbraw/zinc/12/96/02/189129602.db2.gz LVDOZZDVAZDQEZ-ZACQAIPSSA-N 2 1 290.451 3.143 20 0 CGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178597226 189129603 /nfs/dbraw/zinc/12/96/03/189129603.db2.gz LVDOZZDVAZDQEZ-ZACQAIPSSA-N 2 1 290.451 3.143 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccsc1 ZINC000178787074 189145614 /nfs/dbraw/zinc/14/56/14/189145614.db2.gz OLXHOGVSCLWXQS-LBPRGKRZSA-N 2 1 263.410 3.384 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000179616851 189208007 /nfs/dbraw/zinc/20/80/07/189208007.db2.gz QHTWKICHTMTSFO-TZMCWYRMSA-N 2 1 298.377 3.423 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240454 189291905 /nfs/dbraw/zinc/29/19/05/189291905.db2.gz OOLXYAUBXAAGPR-IKGGRYGDSA-N 2 1 290.451 3.225 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241415 189292004 /nfs/dbraw/zinc/29/20/04/189292004.db2.gz ZRMXOJFHEYAFHJ-IKGGRYGDSA-N 2 1 290.451 3.225 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000181290563 189293125 /nfs/dbraw/zinc/29/31/25/189293125.db2.gz DVJUVUBKPXFTLY-WMZOPIPTSA-N 2 1 286.463 3.472 20 0 CGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000181922593 189309914 /nfs/dbraw/zinc/30/99/14/189309914.db2.gz NSGJRUBIPBHPBV-INIZCTEOSA-N 2 1 292.398 3.115 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2cccc(F)c2)C1 ZINC000182827537 189336280 /nfs/dbraw/zinc/33/62/80/189336280.db2.gz SKYIQOYFTSCESP-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182827537 189336281 /nfs/dbraw/zinc/33/62/81/189336281.db2.gz SKYIQOYFTSCESP-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182827537 189336282 /nfs/dbraw/zinc/33/62/82/189336282.db2.gz SKYIQOYFTSCESP-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000183955718 189372753 /nfs/dbraw/zinc/37/27/53/189372753.db2.gz HTVLNGJCCDFLSS-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000183955718 189372754 /nfs/dbraw/zinc/37/27/54/189372754.db2.gz HTVLNGJCCDFLSS-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183955718 189372755 /nfs/dbraw/zinc/37/27/55/189372755.db2.gz HTVLNGJCCDFLSS-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183955718 189372756 /nfs/dbraw/zinc/37/27/56/189372756.db2.gz HTVLNGJCCDFLSS-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP c1cc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2o1 ZINC000449026822 239123118 /nfs/dbraw/zinc/12/31/18/239123118.db2.gz GTGBFIKNLJCBBG-OAHLLOKOSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000342542374 216390965 /nfs/dbraw/zinc/39/09/65/216390965.db2.gz DPHHOTZKSPPJRK-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000342542374 216390966 /nfs/dbraw/zinc/39/09/66/216390966.db2.gz DPHHOTZKSPPJRK-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000342542374 216390969 /nfs/dbraw/zinc/39/09/69/216390969.db2.gz DPHHOTZKSPPJRK-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCC12CCC2 ZINC000449069936 239156879 /nfs/dbraw/zinc/15/68/79/239156879.db2.gz AZCFKYDWUFHGBF-ZFWWWQNUSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000449082081 239166414 /nfs/dbraw/zinc/16/64/14/239166414.db2.gz KFTHZJHZWKDEKA-JKSUJKDBSA-N 2 1 278.440 3.312 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449087614 239169588 /nfs/dbraw/zinc/16/95/88/239169588.db2.gz GONASADNMTUSDX-SQWLQELKSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1F ZINC000449169353 239219041 /nfs/dbraw/zinc/21/90/41/239219041.db2.gz GPNWWOCLSWDZBL-CABCVRRESA-N 2 1 264.388 3.097 20 0 CGADMP CCCc1nccn1CCCCn1cc[nH+]c1CCC ZINC000119669866 370696516 /nfs/dbraw/zinc/69/65/16/370696516.db2.gz FJPBWHOQTDKWPK-UHFFFAOYSA-N 2 1 274.412 3.465 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000537648075 376190156 /nfs/dbraw/zinc/19/01/56/376190156.db2.gz QXHLAFMBQDLIKB-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000537648075 376190162 /nfs/dbraw/zinc/19/01/62/376190162.db2.gz QXHLAFMBQDLIKB-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000537648075 376190170 /nfs/dbraw/zinc/19/01/70/376190170.db2.gz QXHLAFMBQDLIKB-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337283143 376190289 /nfs/dbraw/zinc/19/02/89/376190289.db2.gz XVSVUUPQIBPODL-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337283143 376190294 /nfs/dbraw/zinc/19/02/94/376190294.db2.gz XVSVUUPQIBPODL-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CC/C=C/c3ccccc3)C2)C1 ZINC000451064913 240209285 /nfs/dbraw/zinc/20/92/85/240209285.db2.gz TWMKZFXBFLEBES-YXOJNZSOSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CC/C=C/c3ccccc3)C2)C1 ZINC000451064913 240209288 /nfs/dbraw/zinc/20/92/88/240209288.db2.gz TWMKZFXBFLEBES-YXOJNZSOSA-N 2 1 270.420 3.118 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC000120977339 370818960 /nfs/dbraw/zinc/81/89/60/370818960.db2.gz QATWSJOBJKRUEV-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000121062891 370826652 /nfs/dbraw/zinc/82/66/52/370826652.db2.gz JBDVHIDNWNFYOZ-AEFFLSMTSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccsc2Cl)C1 ZINC000459727042 242194437 /nfs/dbraw/zinc/19/44/37/242194437.db2.gz CASVVMMFDRIJDO-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000459779913 242230575 /nfs/dbraw/zinc/23/05/75/242230575.db2.gz LQTCCEXFFMKOBL-ZDUSSCGKSA-N 2 1 289.398 3.129 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000459783963 242232486 /nfs/dbraw/zinc/23/24/86/242232486.db2.gz NOCDGYVCUCALBB-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121489947 370866031 /nfs/dbraw/zinc/86/60/31/370866031.db2.gz HDRRQFZTTIJZQV-CRAIPNDOSA-N 2 1 285.435 3.439 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923655 243060249 /nfs/dbraw/zinc/06/02/49/243060249.db2.gz WLWYDPQHUZBFJC-HNNXBMFYSA-N 2 1 289.467 3.417 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479675271 243119633 /nfs/dbraw/zinc/11/96/33/243119633.db2.gz KAJOPNIIGASFKW-LJQANCHMSA-N 2 1 286.463 3.392 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000479694846 243121106 /nfs/dbraw/zinc/12/11/06/243121106.db2.gz QOZMAHODDZWVPH-CRAIPNDOSA-N 2 1 272.436 3.254 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C(C)C)[C@H](C)C1 ZINC000484178163 243308560 /nfs/dbraw/zinc/30/85/60/243308560.db2.gz QHBPPKUOLQFZLO-ZACQAIPSSA-N 2 1 284.488 3.005 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C/C=C/c1ccncc1 ZINC000486937077 243381219 /nfs/dbraw/zinc/38/12/19/243381219.db2.gz GRYZYSUMGXKVAE-DBWMJRBXSA-N 2 1 287.451 3.339 20 0 CGADMP [NH3+]CCCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000019721340 368761822 /nfs/dbraw/zinc/76/18/22/368761822.db2.gz UQIHDRHYVQEQSJ-UHFFFAOYSA-N 2 1 294.196 3.148 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccnc1 ZINC000019913252 368781327 /nfs/dbraw/zinc/78/13/27/368781327.db2.gz LUXIVZXSDCTPBB-MRXNPFEDSA-N 2 1 283.419 3.254 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccnc1 ZINC000019913252 368781330 /nfs/dbraw/zinc/78/13/30/368781330.db2.gz LUXIVZXSDCTPBB-MRXNPFEDSA-N 2 1 283.419 3.254 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000019913248 368782429 /nfs/dbraw/zinc/78/24/29/368782429.db2.gz IGMCZOFRGNVRBK-MRXNPFEDSA-N 2 1 283.419 3.254 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000019942986 368787845 /nfs/dbraw/zinc/78/78/45/368787845.db2.gz OSJAZRZPBJARKE-CQSZACIVSA-N 2 1 264.413 3.078 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000019958367 368789178 /nfs/dbraw/zinc/78/91/78/368789178.db2.gz VRZIGEGUFAZUFY-LLVKDONJSA-N 2 1 285.229 3.051 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000036866012 369034829 /nfs/dbraw/zinc/03/48/29/369034829.db2.gz IAJNSFCJCVCRLM-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000037267145 369080026 /nfs/dbraw/zinc/08/00/26/369080026.db2.gz XPACPYOFRDTPJZ-NSHDSACASA-N 2 1 286.341 3.450 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000037644148 369093416 /nfs/dbraw/zinc/09/34/16/369093416.db2.gz ZZANQGZMDPWTOW-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649454 369097730 /nfs/dbraw/zinc/09/77/30/369097730.db2.gz HNBCBJLQKUYZEC-SCLBCKFNSA-N 2 1 288.410 3.351 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cl ZINC000037649497 369097784 /nfs/dbraw/zinc/09/77/84/369097784.db2.gz ZOYRZMCDADASRK-OLZOCXBDSA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cl ZINC000037649497 369097787 /nfs/dbraw/zinc/09/77/87/369097787.db2.gz ZOYRZMCDADASRK-OLZOCXBDSA-N 2 1 278.827 3.475 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000040518053 369159699 /nfs/dbraw/zinc/15/96/99/369159699.db2.gz FDWPMTPMEJFEBX-HLVVYCRESA-N 2 1 279.453 3.036 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000040518053 369159701 /nfs/dbraw/zinc/15/97/01/369159701.db2.gz FDWPMTPMEJFEBX-HLVVYCRESA-N 2 1 279.453 3.036 20 0 CGADMP Fc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1Cl ZINC000043388496 369251653 /nfs/dbraw/zinc/25/16/53/369251653.db2.gz CPJLMEFTIGOKHR-UHFFFAOYSA-N 2 1 284.806 3.445 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000048326936 369341243 /nfs/dbraw/zinc/34/12/43/369341243.db2.gz UATSBQCAGXNXJM-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049553850 369409806 /nfs/dbraw/zinc/40/98/06/369409806.db2.gz FTIXDWXXVRNROT-UWVGGRQHSA-N 2 1 260.834 3.392 20 0 CGADMP CC(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000051212099 369446727 /nfs/dbraw/zinc/44/67/27/369446727.db2.gz VXCOMIMEGWDHNX-UHFFFAOYSA-N 2 1 262.441 3.390 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000072857988 369841660 /nfs/dbraw/zinc/84/16/60/369841660.db2.gz SYZZNXKKYOYNJA-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000070148814 369781608 /nfs/dbraw/zinc/78/16/08/369781608.db2.gz KOTQUMDUEKEKPL-ZDUSSCGKSA-N 2 1 252.789 3.043 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000070148814 369781612 /nfs/dbraw/zinc/78/16/12/369781612.db2.gz KOTQUMDUEKEKPL-ZDUSSCGKSA-N 2 1 252.789 3.043 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169794 369786341 /nfs/dbraw/zinc/78/63/41/369786341.db2.gz VLNLQEMYRZRQPO-CZUORRHYSA-N 2 1 264.388 3.338 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000072857988 369841646 /nfs/dbraw/zinc/84/16/46/369841646.db2.gz SYZZNXKKYOYNJA-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000072857988 369841650 /nfs/dbraw/zinc/84/16/50/369841650.db2.gz SYZZNXKKYOYNJA-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000072857988 369841655 /nfs/dbraw/zinc/84/16/55/369841655.db2.gz SYZZNXKKYOYNJA-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP C1CC1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000081634926 369998374 /nfs/dbraw/zinc/99/83/74/369998374.db2.gz QZINAHNMQNNCKC-HOCLYGCPSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563759 370143164 /nfs/dbraw/zinc/14/31/64/370143164.db2.gz MODHJQCIJMDHTE-HNNXBMFYSA-N 2 1 262.397 3.038 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563759 370143173 /nfs/dbraw/zinc/14/31/73/370143173.db2.gz MODHJQCIJMDHTE-HNNXBMFYSA-N 2 1 262.397 3.038 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC=CCC2)[C@H](C)C1 ZINC000093638742 370150930 /nfs/dbraw/zinc/15/09/30/370150930.db2.gz GMVZQJFTSITUDC-PMPSAXMXSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC=CCC2)[C@H](C)C1 ZINC000093638742 370150934 /nfs/dbraw/zinc/15/09/34/370150934.db2.gz GMVZQJFTSITUDC-PMPSAXMXSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC=CCC2)[C@H](C)C1 ZINC000093638742 370150935 /nfs/dbraw/zinc/15/09/35/370150935.db2.gz GMVZQJFTSITUDC-PMPSAXMXSA-N 2 1 250.430 3.005 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)c2C)C1 ZINC000093770263 370157595 /nfs/dbraw/zinc/15/75/95/370157595.db2.gz LVFSNVROQIKKND-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000093770263 370157597 /nfs/dbraw/zinc/15/75/97/370157597.db2.gz LVFSNVROQIKKND-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000093770263 370157600 /nfs/dbraw/zinc/15/76/00/370157600.db2.gz LVFSNVROQIKKND-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1Cl)CC1CC[NH+](C)CC1 ZINC000104085947 370337216 /nfs/dbraw/zinc/33/72/16/370337216.db2.gz MGTRTICVXGACLQ-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000513654493 245086953 /nfs/dbraw/zinc/08/69/53/245086953.db2.gz IUACPNHKQYUDCU-HRCADAONSA-N 2 1 278.827 3.302 20 0 CGADMP CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513714086 245094932 /nfs/dbraw/zinc/09/49/32/245094932.db2.gz XZPOWRDCUZAAMA-OKZBNKHCSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1 ZINC000513732342 245094987 /nfs/dbraw/zinc/09/49/87/245094987.db2.gz DOBREBMAYWBTBX-UHFFFAOYSA-N 2 1 274.452 3.385 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000513760404 245096596 /nfs/dbraw/zinc/09/65/96/245096596.db2.gz IPTLQWKXZFHJKF-ULQDDVLXSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000129578061 370993169 /nfs/dbraw/zinc/99/31/69/370993169.db2.gz OPGYLELBNDOWBX-TYNCELHUSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000129578061 370993179 /nfs/dbraw/zinc/99/31/79/370993179.db2.gz OPGYLELBNDOWBX-TYNCELHUSA-N 2 1 266.816 3.473 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C)C1 ZINC000219686359 376201956 /nfs/dbraw/zinc/20/19/56/376201956.db2.gz NTHGEDOAYVFKNK-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C)C1 ZINC000219686359 376201961 /nfs/dbraw/zinc/20/19/61/376201961.db2.gz NTHGEDOAYVFKNK-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102290 371011594 /nfs/dbraw/zinc/01/15/94/371011594.db2.gz JAZXUNNVPGEBRD-SGMGOOAPSA-N 2 1 298.377 3.421 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130204821 371018957 /nfs/dbraw/zinc/01/89/57/371018957.db2.gz CNLLVMOEPBHVHG-HRCADAONSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000131739144 371127131 /nfs/dbraw/zinc/12/71/31/371127131.db2.gz DOSDGTXNXXVGER-HIFRSBDPSA-N 2 1 254.377 3.009 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000134137615 371305856 /nfs/dbraw/zinc/30/58/56/371305856.db2.gz VIYPOVHUTYFECD-QAPCUYQASA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCC2CCCC2)CC[N@H+]1C ZINC000151596445 371615421 /nfs/dbraw/zinc/61/54/21/371615421.db2.gz KZRRSWKTRCGGDO-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152127525 371674831 /nfs/dbraw/zinc/67/48/31/371674831.db2.gz AMWAGMSRNRFRFA-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152127525 371674838 /nfs/dbraw/zinc/67/48/38/371674838.db2.gz AMWAGMSRNRFRFA-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421821854 371642528 /nfs/dbraw/zinc/64/25/28/371642528.db2.gz ULROTYRKTMLGKJ-STQMWFEESA-N 2 1 298.833 3.342 20 0 CGADMP COc1ccccc1/C=C/C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422564958 371752574 /nfs/dbraw/zinc/75/25/74/371752574.db2.gz XCFPXPSWENMLBB-HBYQBFOVSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422700399 371757978 /nfs/dbraw/zinc/75/79/78/371757978.db2.gz GWQCDYPXCVDIHM-SWLSCSKDSA-N 2 1 278.827 3.102 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000422740159 371776806 /nfs/dbraw/zinc/77/68/06/371776806.db2.gz AWMLVRJCHYPNAE-CXAGYDPISA-N 2 1 288.822 3.388 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2ccccc2o1 ZINC000422758425 371790868 /nfs/dbraw/zinc/79/08/68/371790868.db2.gz DRYGAXMGZDGPCG-SQPSOYEMSA-N 2 1 270.376 3.366 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422829934 371830520 /nfs/dbraw/zinc/83/05/20/371830520.db2.gz CHZSTNNWTZKWSZ-YESZJQIVSA-N 2 1 290.476 3.137 20 0 CGADMP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1C ZINC000422771148 371794445 /nfs/dbraw/zinc/79/44/45/371794445.db2.gz XUDQHTXBINPZOL-SJORKVTESA-N 2 1 282.387 3.238 20 0 CGADMP C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1c[nH+]ccc1N ZINC000422767807 371794569 /nfs/dbraw/zinc/79/45/69/371794569.db2.gz RQLIBNVPHSKXTP-LLVKDONJSA-N 2 1 275.783 3.041 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337375422 214038954 /nfs/dbraw/zinc/03/89/54/214038954.db2.gz GJDFKMYDDJIPPA-ARFHVFGLSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422791618 371811708 /nfs/dbraw/zinc/81/17/08/371811708.db2.gz QLHNDRYVRUWHGK-DZKIICNBSA-N 2 1 278.465 3.287 20 0 CGADMP Cc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1F ZINC000422797343 371815313 /nfs/dbraw/zinc/81/53/13/371815313.db2.gz MEAUOYXHVOYEEA-KDOFPFPSSA-N 2 1 286.394 3.182 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000422806564 371823375 /nfs/dbraw/zinc/82/33/75/371823375.db2.gz NQFFEWHGLBZXOL-ZFWWWQNUSA-N 2 1 281.403 3.265 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422883513 371853884 /nfs/dbraw/zinc/85/38/84/371853884.db2.gz VEBPVOTZZPFFEE-BEFAXECRSA-N 2 1 298.430 3.133 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000422855232 371840904 /nfs/dbraw/zinc/84/09/04/371840904.db2.gz VEDSXPJEDMJYNW-CJNGLKHVSA-N 2 1 278.415 3.224 20 0 CGADMP CC[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)[C@@H]1CCC[NH2+]1 ZINC000422999217 371907327 /nfs/dbraw/zinc/90/73/27/371907327.db2.gz SCYDWFGDWXIVFE-MJGOQNOKSA-N 2 1 295.430 3.369 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCCc2ccccc21)c1c[nH+]ccc1N ZINC000423014183 371917137 /nfs/dbraw/zinc/91/71/37/371917137.db2.gz HPAGDXUWWYQPTK-LIRRHRJNSA-N 2 1 295.430 3.439 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000423030116 371924588 /nfs/dbraw/zinc/92/45/88/371924588.db2.gz JCJQUOVOHGDXGZ-KURKYZTESA-N 3 1 295.515 3.151 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCNc2ccccc2F)c2ccccc21 ZINC000423038288 371928242 /nfs/dbraw/zinc/92/82/42/371928242.db2.gz YFWWVKRKDBOWRP-AEFFLSMTSA-N 2 1 299.393 3.362 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423104128 371967216 /nfs/dbraw/zinc/96/72/16/371967216.db2.gz GSKDHUYLZJTNMW-OAGGEKHMSA-N 2 1 258.409 3.258 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2n[nH]cc2c1 ZINC000423104979 371968481 /nfs/dbraw/zinc/96/84/81/371968481.db2.gz HVRLQSXREWQEFN-PBQZTSCYSA-N 2 1 292.386 3.358 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CCCC[NH2+]1 ZINC000423129099 371981364 /nfs/dbraw/zinc/98/13/64/371981364.db2.gz WTNZCQHDBAOFAM-RANZSIQMSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423136877 371986456 /nfs/dbraw/zinc/98/64/56/371986456.db2.gz ZRTHQXVYIUBWNH-HTQZYQBOSA-N 2 1 296.283 3.199 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000156575743 371986863 /nfs/dbraw/zinc/98/68/63/371986863.db2.gz YDGYQYSEHDJGFS-OUCADQQQSA-N 2 1 264.438 3.198 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)CC[N@H+]1C ZINC000156575743 371986869 /nfs/dbraw/zinc/98/68/69/371986869.db2.gz YDGYQYSEHDJGFS-OUCADQQQSA-N 2 1 264.438 3.198 20 0 CGADMP Cc1csc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423159311 371996614 /nfs/dbraw/zinc/99/66/14/371996614.db2.gz XVAJXUDCWKZJKW-CJNGLKHVSA-N 2 1 274.433 3.105 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000423067744 371946079 /nfs/dbraw/zinc/94/60/79/371946079.db2.gz IHDLKBITMWBUJK-CABCVRRESA-N 2 1 296.842 3.488 20 0 CGADMP [NH3+]CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423192274 372016757 /nfs/dbraw/zinc/01/67/57/372016757.db2.gz UIJOPKUJUWFVBI-INIZCTEOSA-N 2 1 274.795 3.172 20 0 CGADMP CC(C)[C@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423193992 372019724 /nfs/dbraw/zinc/01/97/24/372019724.db2.gz XWHGJISLHGHUFG-ROUUACIJSA-N 2 1 289.467 3.366 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(O)c1 ZINC000423199173 372023581 /nfs/dbraw/zinc/02/35/81/372023581.db2.gz JJQWFVFGJUXYCP-ZDUSSCGKSA-N 2 1 262.397 3.095 20 0 CGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000290639645 372032108 /nfs/dbraw/zinc/03/21/08/372032108.db2.gz YKJBJBAEWGSSRY-DOMZBBRYSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000290639645 372032117 /nfs/dbraw/zinc/03/21/17/372032117.db2.gz YKJBJBAEWGSSRY-DOMZBBRYSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000290639645 372032123 /nfs/dbraw/zinc/03/21/23/372032123.db2.gz YKJBJBAEWGSSRY-DOMZBBRYSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000290639645 372032128 /nfs/dbraw/zinc/03/21/28/372032128.db2.gz YKJBJBAEWGSSRY-DOMZBBRYSA-N 2 1 296.842 3.121 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000037644561 541864750 /nfs/dbraw/zinc/86/47/50/541864750.db2.gz HUOZIXJNPNZSRC-IUODEOHRSA-N 2 1 294.439 3.294 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423243811 372041571 /nfs/dbraw/zinc/04/15/71/372041571.db2.gz KKCIBWKYVJZBTD-GOEBONIOSA-N 2 1 294.414 3.060 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C(C2CC2)C2CC2)C1 ZINC000157918389 372042302 /nfs/dbraw/zinc/04/23/02/372042302.db2.gz XCLNVQAVVDKUIU-AWEZNQCLSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423261611 372043447 /nfs/dbraw/zinc/04/34/47/372043447.db2.gz KGTNWKOOMGMFCS-CHWSQXEVSA-N 2 1 284.394 3.249 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423266978 372044503 /nfs/dbraw/zinc/04/45/03/372044503.db2.gz FAZXYLMRKPILLX-GWCFXTLKSA-N 2 1 274.330 3.339 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423262947 372044966 /nfs/dbraw/zinc/04/49/66/372044966.db2.gz NWQUASNMUGNJSV-ISXOHVOVSA-N 2 1 282.472 3.220 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423281305 372048001 /nfs/dbraw/zinc/04/80/01/372048001.db2.gz UEQYBFSTRXUNCA-CVEARBPZSA-N 2 1 258.409 3.008 20 0 CGADMP C[NH2+][C@H](C)C[NH2+][C@@H](c1ccccc1C)C1CCCC1 ZINC000423389091 372057544 /nfs/dbraw/zinc/05/75/44/372057544.db2.gz LDHFVYUCEKHSCW-RHSMWYFYSA-N 2 1 260.425 3.424 20 0 CGADMP CC(C)(C)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157091511 372006604 /nfs/dbraw/zinc/00/66/04/372006604.db2.gz DEZRUOFOULJGDG-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)C1CCCC1 ZINC000423499794 372070503 /nfs/dbraw/zinc/07/05/03/372070503.db2.gz JVIRXWXSISDVQE-HZPDHXFCSA-N 2 1 278.827 3.434 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(C)c1F ZINC000424370955 372085675 /nfs/dbraw/zinc/08/56/75/372085675.db2.gz FJAAJOZIAIFGSA-NWANDNLSSA-N 2 1 264.388 3.363 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccn1 ZINC000159003127 372098235 /nfs/dbraw/zinc/09/82/35/372098235.db2.gz UOFLPINBHRSQLD-GOEBONIOSA-N 2 1 286.423 3.354 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428997623 372300621 /nfs/dbraw/zinc/30/06/21/372300621.db2.gz QPVPZIBCLDGYSP-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428997623 372300627 /nfs/dbraw/zinc/30/06/27/372300627.db2.gz QPVPZIBCLDGYSP-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428997623 372300631 /nfs/dbraw/zinc/30/06/31/372300631.db2.gz QPVPZIBCLDGYSP-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP c1cc2[nH+]ccc(N3CC[C@H](C[NH+]4CCCC4)C3)c2s1 ZINC000293225195 372330323 /nfs/dbraw/zinc/33/03/23/372330323.db2.gz YJWWZBYSUPBSQI-CYBMUJFWSA-N 2 1 287.432 3.218 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000161522006 372331033 /nfs/dbraw/zinc/33/10/33/372331033.db2.gz AAFJHBHQZXNPME-IAGOWNOFSA-N 2 1 290.451 3.226 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccccc1OC(F)F)C[NH+](C)C ZINC000293279326 372344534 /nfs/dbraw/zinc/34/45/34/372344534.db2.gz CRGBMHIFPIOGKC-VXGBXAGGSA-N 2 1 286.366 3.136 20 0 CGADMP C[C@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000430926841 372406955 /nfs/dbraw/zinc/40/69/55/372406955.db2.gz OXNNJXHAFVFYPY-HNAYVOBHSA-N 2 1 298.430 3.278 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000430942737 372408033 /nfs/dbraw/zinc/40/80/33/372408033.db2.gz DRQNLSPEHOGULV-HOCLYGCPSA-N 2 1 278.465 3.065 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000162687081 372409577 /nfs/dbraw/zinc/40/95/77/372409577.db2.gz SDSRTYHPJIEFGF-CQSZACIVSA-N 2 1 275.421 3.480 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000162687081 372409585 /nfs/dbraw/zinc/40/95/85/372409585.db2.gz SDSRTYHPJIEFGF-CQSZACIVSA-N 2 1 275.421 3.480 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000162695780 372411443 /nfs/dbraw/zinc/41/14/43/372411443.db2.gz DKOJVAVBHKFDGT-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000293575974 372414726 /nfs/dbraw/zinc/41/47/26/372414726.db2.gz HIQMKWUVTSGWBO-CRAIPNDOSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000293575974 372414728 /nfs/dbraw/zinc/41/47/28/372414728.db2.gz HIQMKWUVTSGWBO-CRAIPNDOSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000293575974 372414732 /nfs/dbraw/zinc/41/47/32/372414732.db2.gz HIQMKWUVTSGWBO-CRAIPNDOSA-N 2 1 290.426 3.347 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C(C)C)CC2)oc1C ZINC000162737581 372415244 /nfs/dbraw/zinc/41/52/44/372415244.db2.gz DMAXTWXEOGSGQQ-CYBMUJFWSA-N 2 1 293.455 3.138 20 0 CGADMP CCCC[N@@H+](C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000163492082 372473107 /nfs/dbraw/zinc/47/31/07/372473107.db2.gz FOILCLYURRIDQB-UHFFFAOYSA-N 2 1 295.515 3.105 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCOC1(C)C ZINC000293607067 372423799 /nfs/dbraw/zinc/42/37/99/372423799.db2.gz GIBUJKCGNCXLLC-KRWDZBQOSA-N 2 1 290.451 3.184 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000163620162 372482208 /nfs/dbraw/zinc/48/22/08/372482208.db2.gz SEPBYUPLDGSVNV-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(C)cc1 ZINC000163620162 372482213 /nfs/dbraw/zinc/48/22/13/372482213.db2.gz SEPBYUPLDGSVNV-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000163247159 372455458 /nfs/dbraw/zinc/45/54/58/372455458.db2.gz LREBMKPSJJHVJK-UKRRQHHQSA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2)CC[N@H+]1C ZINC000164772247 372531537 /nfs/dbraw/zinc/53/15/37/372531537.db2.gz GSPDYZKGNKTGAE-CJNGLKHVSA-N 2 1 278.415 3.176 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000165631510 372554485 /nfs/dbraw/zinc/55/44/85/372554485.db2.gz OBWRCUOKXBRFJM-HOTGVXAUSA-N 2 1 263.429 3.386 20 0 CGADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC1(C)CCC1 ZINC000432775362 372572342 /nfs/dbraw/zinc/57/23/42/372572342.db2.gz HMVYEHMSWZUYSW-UHFFFAOYSA-N 2 1 287.451 3.420 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000166549384 372577224 /nfs/dbraw/zinc/57/72/24/372577224.db2.gz WWLCTIWMMIKIHG-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000166549283 372577251 /nfs/dbraw/zinc/57/72/51/372577251.db2.gz WWLCTIWMMIKIHG-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)CC(C)(C)C[NH3+] ZINC000167409304 372596204 /nfs/dbraw/zinc/59/62/04/372596204.db2.gz MMCKCVFKWSOAIV-UHFFFAOYSA-N 2 1 292.320 3.261 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)CC(C)(C)C[NH3+] ZINC000167409304 372596207 /nfs/dbraw/zinc/59/62/07/372596207.db2.gz MMCKCVFKWSOAIV-UHFFFAOYSA-N 2 1 292.320 3.261 20 0 CGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H](C)C1CCCCC1 ZINC000168305219 372609574 /nfs/dbraw/zinc/60/95/74/372609574.db2.gz BBXNOXWBCCBLMK-CVEARBPZSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000168619507 372615799 /nfs/dbraw/zinc/61/57/99/372615799.db2.gz BAFVVSQPNLXROQ-RYUDHWBXSA-N 2 1 289.810 3.057 20 0 CGADMP Cc1ccc(CCC[N@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000353384038 220056839 /nfs/dbraw/zinc/05/68/39/220056839.db2.gz RPSNVLWTCFLSAL-UHFFFAOYSA-N 2 1 289.467 3.127 20 0 CGADMP Cc1ncsc1C[N@@H+](CC1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000435438600 372764548 /nfs/dbraw/zinc/76/45/48/372764548.db2.gz QMMHNDSPFTYQNC-OAHLLOKOSA-N 2 1 293.480 3.053 20 0 CGADMP CC[N@@H+](Cc1cccc(OC(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435392147 372757856 /nfs/dbraw/zinc/75/78/56/372757856.db2.gz GFSUTWQTJRZJJI-KRWDZBQOSA-N 2 1 290.451 3.438 20 0 CGADMP c1cc(C[N@H+](CC2CCC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435692853 372795608 /nfs/dbraw/zinc/79/56/08/372795608.db2.gz KQUVULHEANDMHN-INIZCTEOSA-N 2 1 290.476 3.492 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000435882543 372823864 /nfs/dbraw/zinc/82/38/64/372823864.db2.gz ZBQOYYJWOQDPTJ-KRWDZBQOSA-N 2 1 271.408 3.304 20 0 CGADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000435882543 372823869 /nfs/dbraw/zinc/82/38/69/372823869.db2.gz ZBQOYYJWOQDPTJ-KRWDZBQOSA-N 2 1 271.408 3.304 20 0 CGADMP C([NH2+]C1CCCC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435742028 372801115 /nfs/dbraw/zinc/80/11/15/372801115.db2.gz LLVAKJRTQGZWFL-MRXNPFEDSA-N 2 1 250.430 3.316 20 0 CGADMP C[NH2+]CCC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000435886049 372825625 /nfs/dbraw/zinc/82/56/25/372825625.db2.gz RRDIBQDBGJHCHR-UHFFFAOYSA-N 2 1 278.415 3.222 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cs1 ZINC000295611852 372847232 /nfs/dbraw/zinc/84/72/32/372847232.db2.gz DUFBCOQCWAIQBJ-INIZCTEOSA-N 2 1 278.465 3.220 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(C)c1 ZINC000353461294 220095566 /nfs/dbraw/zinc/09/55/66/220095566.db2.gz FAQAEGNISDAGCJ-KRWDZBQOSA-N 2 1 278.440 3.004 20 0 CGADMP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)c2ccccc2n1 ZINC000172394120 372953603 /nfs/dbraw/zinc/95/36/03/372953603.db2.gz MOKUSKRKDUFSCN-UHFFFAOYSA-N 2 1 283.419 3.069 20 0 CGADMP CSc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172850442 373048581 /nfs/dbraw/zinc/04/85/81/373048581.db2.gz ZTTIIVINEKGSEG-HIFRSBDPSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172850442 373048586 /nfs/dbraw/zinc/04/85/86/373048586.db2.gz ZTTIIVINEKGSEG-HIFRSBDPSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172850442 373048588 /nfs/dbraw/zinc/04/85/88/373048588.db2.gz ZTTIIVINEKGSEG-HIFRSBDPSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172850442 373048593 /nfs/dbraw/zinc/04/85/93/373048593.db2.gz ZTTIIVINEKGSEG-HIFRSBDPSA-N 2 1 278.465 3.323 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000353563014 220160399 /nfs/dbraw/zinc/16/03/99/220160399.db2.gz DOUIJZDRROKMQY-UONOGXRCSA-N 2 1 268.470 3.388 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000353563014 220160400 /nfs/dbraw/zinc/16/04/00/220160400.db2.gz DOUIJZDRROKMQY-UONOGXRCSA-N 2 1 268.470 3.388 20 0 CGADMP CCC1(CC)C[N@@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000444633746 373217408 /nfs/dbraw/zinc/21/74/08/373217408.db2.gz VSNSFUFZYGRJDL-UHFFFAOYSA-N 2 1 284.513 3.470 20 0 CGADMP CCc1ccccc1CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000444662325 373225248 /nfs/dbraw/zinc/22/52/48/373225248.db2.gz IWUGQYBVMQQTBX-UHFFFAOYSA-N 2 1 285.435 3.319 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000444662325 373225252 /nfs/dbraw/zinc/22/52/52/373225252.db2.gz IWUGQYBVMQQTBX-UHFFFAOYSA-N 2 1 285.435 3.319 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000296632090 373201975 /nfs/dbraw/zinc/20/19/75/373201975.db2.gz XLSJTDDCMTXPQG-JZIBPQBNSA-N 2 1 264.438 3.332 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000173887865 373208612 /nfs/dbraw/zinc/20/86/12/373208612.db2.gz IUBNICAZMBOPKD-GFCCVEGCSA-N 2 1 284.806 3.253 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000444675384 373230500 /nfs/dbraw/zinc/23/05/00/373230500.db2.gz LZGXHRQJGBECRR-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000444675384 373230509 /nfs/dbraw/zinc/23/05/09/373230509.db2.gz LZGXHRQJGBECRR-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000444675384 373230515 /nfs/dbraw/zinc/23/05/15/373230515.db2.gz LZGXHRQJGBECRR-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174629645 373346546 /nfs/dbraw/zinc/34/65/46/373346546.db2.gz PMNUCNCYHLFJOP-ZYHUDNBSSA-N 2 1 272.845 3.221 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174629645 373346549 /nfs/dbraw/zinc/34/65/49/373346549.db2.gz PMNUCNCYHLFJOP-ZYHUDNBSSA-N 2 1 272.845 3.221 20 0 CGADMP COc1cccc([C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000175709103 373505976 /nfs/dbraw/zinc/50/59/76/373505976.db2.gz AGPNXRJLWIRGJM-JKSUJKDBSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000175709103 373505977 /nfs/dbraw/zinc/50/59/77/373505977.db2.gz AGPNXRJLWIRGJM-JKSUJKDBSA-N 2 1 288.435 3.174 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000300414074 373631186 /nfs/dbraw/zinc/63/11/86/373631186.db2.gz JBKIKWKNJFFAPS-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300078708 373618456 /nfs/dbraw/zinc/61/84/56/373618456.db2.gz NBGFAEDRGYDVFD-DRPJVOAASA-N 2 1 250.430 3.051 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449436081 373714175 /nfs/dbraw/zinc/71/41/75/373714175.db2.gz WVUARFNGZKIIMV-ZIAGYGMSSA-N 2 1 261.413 3.064 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1F ZINC000353657192 220230186 /nfs/dbraw/zinc/23/01/86/220230186.db2.gz UHDRKRDJXXHIHH-INIZCTEOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1F ZINC000353657192 220230189 /nfs/dbraw/zinc/23/01/89/220230189.db2.gz UHDRKRDJXXHIHH-INIZCTEOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1F ZINC000353657192 220230194 /nfs/dbraw/zinc/23/01/94/220230194.db2.gz UHDRKRDJXXHIHH-INIZCTEOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1F ZINC000353657192 220230200 /nfs/dbraw/zinc/23/02/00/220230200.db2.gz UHDRKRDJXXHIHH-INIZCTEOSA-N 2 1 278.415 3.440 20 0 CGADMP COCC1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000449083988 373661281 /nfs/dbraw/zinc/66/12/81/373661281.db2.gz VZSLTWJNXWEVGP-AOCRQIFASA-N 2 1 296.499 3.293 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCCC2)CC1 ZINC000301270197 373721308 /nfs/dbraw/zinc/72/13/08/373721308.db2.gz NKECLPWBNHVHIR-UHFFFAOYSA-N 2 1 299.393 3.439 20 0 CGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccoc1 ZINC000178401011 373774203 /nfs/dbraw/zinc/77/42/03/373774203.db2.gz GCUOLXRBLALTBS-OCCSQVGLSA-N 2 1 252.402 3.297 20 0 CGADMP C[NH+](C)CC(C)(C)CNc1cc[nH+]c2ccsc21 ZINC000301381288 373766115 /nfs/dbraw/zinc/76/61/15/373766115.db2.gz ZIEQGZWBORUCKL-UHFFFAOYSA-N 2 1 263.410 3.296 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178971911 373823723 /nfs/dbraw/zinc/82/37/23/373823723.db2.gz OWWMNUSGQOBFKW-GOSISDBHSA-N 2 1 272.436 3.256 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000070344091 541893223 /nfs/dbraw/zinc/89/32/23/541893223.db2.gz QOKVQXYIVSTATA-MSOLQXFVSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cc2ccccc2o1 ZINC000178486584 373784363 /nfs/dbraw/zinc/78/43/63/373784363.db2.gz UXTWGCUMOSTNTQ-WWGRRREGSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000178486584 373784382 /nfs/dbraw/zinc/78/43/82/373784382.db2.gz UXTWGCUMOSTNTQ-WWGRRREGSA-N 2 1 272.392 3.251 20 0 CGADMP Cc1cc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000302532861 373891368 /nfs/dbraw/zinc/89/13/68/373891368.db2.gz DDDGSTNTCCTSOI-SFHVURJKSA-N 2 1 295.430 3.348 20 0 CGADMP C[N@@H+](CCCc1ccccc1)CC[C@H]1CCC[NH+]1C ZINC000179278057 373850653 /nfs/dbraw/zinc/85/06/53/373850653.db2.gz FRRQWRGUDMTRHQ-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000179278057 373850663 /nfs/dbraw/zinc/85/06/63/373850663.db2.gz FRRQWRGUDMTRHQ-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCCc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC000179278057 373850672 /nfs/dbraw/zinc/85/06/72/373850672.db2.gz FRRQWRGUDMTRHQ-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP Cc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000302592088 373902386 /nfs/dbraw/zinc/90/23/86/373902386.db2.gz WKWYUIUWGDJLQX-SFHVURJKSA-N 2 1 295.430 3.367 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000180230993 373980654 /nfs/dbraw/zinc/98/06/54/373980654.db2.gz XOGCLEFYMDNVGR-SJLPKXTDSA-N 2 1 274.452 3.454 20 0 CGADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1Cl ZINC000450430585 374122365 /nfs/dbraw/zinc/12/23/65/374122365.db2.gz SVMVHCQVSXWUAV-AWEZNQCLSA-N 2 1 296.842 3.122 20 0 CGADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1Cl ZINC000450430585 374122373 /nfs/dbraw/zinc/12/23/73/374122373.db2.gz SVMVHCQVSXWUAV-AWEZNQCLSA-N 2 1 296.842 3.122 20 0 CGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000450430585 374122378 /nfs/dbraw/zinc/12/23/78/374122378.db2.gz SVMVHCQVSXWUAV-AWEZNQCLSA-N 2 1 296.842 3.122 20 0 CGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000450430585 374122386 /nfs/dbraw/zinc/12/23/86/374122386.db2.gz SVMVHCQVSXWUAV-AWEZNQCLSA-N 2 1 296.842 3.122 20 0 CGADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000450437543 374129132 /nfs/dbraw/zinc/12/91/32/374129132.db2.gz LBQPKCUEUYLTJU-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000309760970 374197328 /nfs/dbraw/zinc/19/73/28/374197328.db2.gz DOVMVQKIVJGUFE-VKJFTORMSA-N 2 1 272.436 3.285 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H]1CCCC12CCOCC2)C(C)C ZINC000312248776 374273726 /nfs/dbraw/zinc/27/37/26/374273726.db2.gz JUCNMGBIYFEWBJ-INIZCTEOSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000312962052 374296919 /nfs/dbraw/zinc/29/69/19/374296919.db2.gz UDSCENCKKFTWBP-CABCVRRESA-N 2 1 278.440 3.032 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000312962052 374296927 /nfs/dbraw/zinc/29/69/27/374296927.db2.gz UDSCENCKKFTWBP-CABCVRRESA-N 2 1 278.440 3.032 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000328298882 374362175 /nfs/dbraw/zinc/36/21/75/374362175.db2.gz UCXIHZFTEQIQEO-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP c1ccc2c(c1)CCC([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000453095955 374364150 /nfs/dbraw/zinc/36/41/50/374364150.db2.gz VLDQAFVQUUGMSI-OAHLLOKOSA-N 2 1 284.447 3.008 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)CC[N@@H+]1C ZINC000453233318 374370898 /nfs/dbraw/zinc/37/08/98/374370898.db2.gz KBXAIXSCWMOFRL-PBFPGSCMSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)CC[N@H+]1C ZINC000453233318 374370908 /nfs/dbraw/zinc/37/09/08/374370908.db2.gz KBXAIXSCWMOFRL-PBFPGSCMSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000183366492 374405418 /nfs/dbraw/zinc/40/54/18/374405418.db2.gz BBAFFZZHANWJNI-QFBILLFUSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000183366492 374405424 /nfs/dbraw/zinc/40/54/24/374405424.db2.gz BBAFFZZHANWJNI-QFBILLFUSA-N 2 1 286.463 3.424 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453335759 374428760 /nfs/dbraw/zinc/42/87/60/374428760.db2.gz DSKQGIQWCGQCQQ-HJQPHTCJSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453373145 374458740 /nfs/dbraw/zinc/45/87/40/374458740.db2.gz WTQAEMDWTQTFNI-MIGBEJBISA-N 2 1 287.451 3.008 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453417784 374474680 /nfs/dbraw/zinc/47/46/80/374474680.db2.gz YAQCJEDHRVCIKX-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000090417964 541961219 /nfs/dbraw/zinc/96/12/19/541961219.db2.gz IZHAXJAUFHNRAX-NSHDSACASA-N 2 1 278.425 3.087 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCc2cccnc21)C[NH+]1CCCCC1 ZINC000091661223 541967897 /nfs/dbraw/zinc/96/78/97/541967897.db2.gz JAQWJHQWHGGNFT-WBVHZDCISA-N 2 1 287.451 3.171 20 0 CGADMP CCn1nccc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000185159670 374599788 /nfs/dbraw/zinc/59/97/88/374599788.db2.gz AGJQCIBERPRLHI-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516874 541983380 /nfs/dbraw/zinc/98/33/80/541983380.db2.gz RZCSISQHRWKILW-XUJVJEKNSA-N 2 1 279.428 3.253 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2coc3ccccc23)CC[N@@H+]1C ZINC000093643989 541983463 /nfs/dbraw/zinc/98/34/63/541983463.db2.gz LCTRMGVWHURMRR-HIFRSBDPSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2coc3ccccc23)CC[N@H+]1C ZINC000093643989 541983468 /nfs/dbraw/zinc/98/34/68/541983468.db2.gz LCTRMGVWHURMRR-HIFRSBDPSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2coc3ccccc23)CC[NH+]1C ZINC000093643989 541983472 /nfs/dbraw/zinc/98/34/72/541983472.db2.gz LCTRMGVWHURMRR-HIFRSBDPSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2coc3ccccc23)CC[NH+]1C ZINC000093643989 541983476 /nfs/dbraw/zinc/98/34/76/541983476.db2.gz LCTRMGVWHURMRR-HIFRSBDPSA-N 2 1 272.392 3.347 20 0 CGADMP Cn1ccnc1[C@@H]1CCN(Cc2cccc(Cl)c2F)C1 ZINC000334416173 374732200 /nfs/dbraw/zinc/73/22/00/374732200.db2.gz ODMWKWXUMLGTJA-GFCCVEGCSA-N 2 1 293.773 3.202 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000459496449 374809430 /nfs/dbraw/zinc/80/94/30/374809430.db2.gz XNGFPFKOSUMNNJ-KXBFYZLASA-N 2 1 284.447 3.264 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000459496449 374809436 /nfs/dbraw/zinc/80/94/36/374809436.db2.gz XNGFPFKOSUMNNJ-KXBFYZLASA-N 2 1 284.447 3.264 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000459496449 374809442 /nfs/dbraw/zinc/80/94/42/374809442.db2.gz XNGFPFKOSUMNNJ-KXBFYZLASA-N 2 1 284.447 3.264 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459734114 374817416 /nfs/dbraw/zinc/81/74/16/374817416.db2.gz GUDALTNQKKNNCO-IVMQYODDSA-N 2 1 286.463 3.428 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000459785663 374821264 /nfs/dbraw/zinc/82/12/64/374821264.db2.gz PAJWJFALOHHTPK-RDBSUJKOSA-N 2 1 292.389 3.429 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000186402793 374844800 /nfs/dbraw/zinc/84/48/00/374844800.db2.gz RSGVETLZFKVGQZ-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000186405679 374847161 /nfs/dbraw/zinc/84/71/61/374847161.db2.gz QPDWDIGUJSGOLN-RDTXWAMCSA-N 2 1 285.435 3.007 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCCc2ccccc2)CC[N@@H+]1C ZINC000187120254 374975354 /nfs/dbraw/zinc/97/53/54/374975354.db2.gz PWGVJAIOSCKDKX-FUHWJXTLSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCCc2ccccc2)CC[N@H+]1C ZINC000187120254 374975359 /nfs/dbraw/zinc/97/53/59/374975359.db2.gz PWGVJAIOSCKDKX-FUHWJXTLSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCCc2ccccc2)CC[NH+]1C ZINC000187120254 374975363 /nfs/dbraw/zinc/97/53/63/374975363.db2.gz PWGVJAIOSCKDKX-FUHWJXTLSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCCc2ccccc2)CC[NH+]1C ZINC000187120254 374975368 /nfs/dbraw/zinc/97/53/68/374975368.db2.gz PWGVJAIOSCKDKX-FUHWJXTLSA-N 2 1 274.452 3.424 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000335687374 375347405 /nfs/dbraw/zinc/34/74/05/375347405.db2.gz WQSBRMNJMKOSAT-SJLPKXTDSA-N 2 1 272.436 3.397 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3c(C)cccc32)CC1 ZINC000189374499 375379418 /nfs/dbraw/zinc/37/94/18/375379418.db2.gz XBHHYBOSCDUIKZ-QGZVFWFLSA-N 2 1 288.435 3.283 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335757346 375404992 /nfs/dbraw/zinc/40/49/92/375404992.db2.gz IRIKNSIHYJTGGC-PBHICJAKSA-N 2 1 283.419 3.116 20 0 CGADMP CC(C)OC1CC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000189567937 375413095 /nfs/dbraw/zinc/41/30/95/375413095.db2.gz IKABMNMGDYRSCD-WMTDPASSSA-N 2 1 294.483 3.185 20 0 CGADMP Cc1csc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000335799901 375440782 /nfs/dbraw/zinc/44/07/82/375440782.db2.gz KXRHOSYTSKPRBC-LSDHHAIUSA-N 2 1 258.390 3.291 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000335951054 375564735 /nfs/dbraw/zinc/56/47/35/375564735.db2.gz DKAJDAMPPDWHIZ-OAHLLOKOSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)cc1 ZINC000191060734 375568949 /nfs/dbraw/zinc/56/89/49/375568949.db2.gz AOBYTWYBLPGSLH-DEYYWGMASA-N 2 1 299.418 3.399 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000336005109 375612021 /nfs/dbraw/zinc/61/20/21/375612021.db2.gz POOHTJKNOLWTGG-NSHDSACASA-N 2 1 296.201 3.364 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000191832130 375668385 /nfs/dbraw/zinc/66/83/85/375668385.db2.gz PULRJTUVQQYZBA-SUNYJGFJSA-N 2 1 299.418 3.256 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000191977769 375686279 /nfs/dbraw/zinc/68/62/79/375686279.db2.gz IJAOXZOKIYUSPX-UHFFFAOYSA-N 2 1 299.393 3.241 20 0 CGADMP C[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000124402566 542032269 /nfs/dbraw/zinc/03/22/69/542032269.db2.gz KBFBPEDMKHFDMD-MRXNPFEDSA-N 2 1 288.435 3.146 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000507499363 375709052 /nfs/dbraw/zinc/70/90/52/375709052.db2.gz YVBRHIPKOYEPOG-VVLHAWIVSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192351772 375738041 /nfs/dbraw/zinc/73/80/41/375738041.db2.gz IIPHHYFZRABLGF-KRWDZBQOSA-N 2 1 299.418 3.345 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192351767 375738488 /nfs/dbraw/zinc/73/84/88/375738488.db2.gz IIPHHYFZRABLGF-QGZVFWFLSA-N 2 1 299.418 3.345 20 0 CGADMP FC1(F)CC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000336187629 375754542 /nfs/dbraw/zinc/75/45/42/375754542.db2.gz NCKDXAOMMBEFEH-HUUCEWRRSA-N 2 1 286.410 3.372 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000507948458 375730092 /nfs/dbraw/zinc/73/00/92/375730092.db2.gz BNCFCUPWYVVXGE-OWCLPIDISA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000507948458 375730098 /nfs/dbraw/zinc/73/00/98/375730098.db2.gz BNCFCUPWYVVXGE-OWCLPIDISA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000128552768 542052364 /nfs/dbraw/zinc/05/23/64/542052364.db2.gz TYUQTRBLMKFQPB-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)CC(C)C ZINC000515506713 375814135 /nfs/dbraw/zinc/81/41/35/375814135.db2.gz BVPHSXOAHAXUOM-TWMKSMIVSA-N 2 1 296.499 3.146 20 0 CGADMP c1cc2c(cc1C[N@@H+](C1CC1)C1CCCC1)C[NH2+]CC2 ZINC000516975041 375824127 /nfs/dbraw/zinc/82/41/27/375824127.db2.gz NWGVUGMZJZKNMU-UHFFFAOYSA-N 2 1 270.420 3.239 20 0 CGADMP CCCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000534334567 375975377 /nfs/dbraw/zinc/97/53/77/375975377.db2.gz XIQBAEXMWABEJZ-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000534334567 375975383 /nfs/dbraw/zinc/97/53/83/375975383.db2.gz XIQBAEXMWABEJZ-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP Cc1sccc1CNCCC[N@@H+]1CCCC[C@H]1C ZINC000336788441 375938395 /nfs/dbraw/zinc/93/83/95/375938395.db2.gz HCIFVISPLYCIDL-CYBMUJFWSA-N 2 1 266.454 3.411 20 0 CGADMP Cc1sccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000336788441 375938401 /nfs/dbraw/zinc/93/84/01/375938401.db2.gz HCIFVISPLYCIDL-CYBMUJFWSA-N 2 1 266.454 3.411 20 0 CGADMP Cc1sccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000336788441 375938407 /nfs/dbraw/zinc/93/84/07/375938407.db2.gz HCIFVISPLYCIDL-CYBMUJFWSA-N 2 1 266.454 3.411 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000194476791 376008175 /nfs/dbraw/zinc/00/81/75/376008175.db2.gz PQOXXGHDHVMZTC-OAHLLOKOSA-N 2 1 271.408 3.365 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000195632313 376115508 /nfs/dbraw/zinc/11/55/08/376115508.db2.gz MZSNDMISWQOAML-GOSISDBHSA-N 2 1 272.436 3.482 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000195139493 376082742 /nfs/dbraw/zinc/08/27/42/376082742.db2.gz WPUNREOGJZGVLW-DOTOQJQBSA-N 2 1 284.403 3.452 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000195139493 376082753 /nfs/dbraw/zinc/08/27/53/376082753.db2.gz WPUNREOGJZGVLW-DOTOQJQBSA-N 2 1 284.403 3.452 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000536853033 376137276 /nfs/dbraw/zinc/13/72/76/376137276.db2.gz TXKNUQNCJIKSSH-XJKSGUPXSA-N 2 1 292.492 3.447 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000536852107 376137894 /nfs/dbraw/zinc/13/78/94/376137894.db2.gz MGJCLSCJHAIFFI-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c2ccccc12 ZINC000215977424 376153708 /nfs/dbraw/zinc/15/37/08/376153708.db2.gz JSWATYFYSMBKSK-KBPBESRZSA-N 2 1 284.403 3.018 20 0 CGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337271620 376182481 /nfs/dbraw/zinc/18/24/81/376182481.db2.gz NVWIQRURVYGXKM-MRXNPFEDSA-N 2 1 260.425 3.474 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337272577 376184434 /nfs/dbraw/zinc/18/44/34/376184434.db2.gz CFNACMXGAHDZEP-BZUAXINKSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000536694917 376123470 /nfs/dbraw/zinc/12/34/70/376123470.db2.gz COZUOCDEAVBIBD-WBVHZDCISA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000536694917 376123473 /nfs/dbraw/zinc/12/34/73/376123473.db2.gz COZUOCDEAVBIBD-WBVHZDCISA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000536694917 376123477 /nfs/dbraw/zinc/12/34/77/376123477.db2.gz COZUOCDEAVBIBD-WBVHZDCISA-N 2 1 262.441 3.006 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000337189442 376125486 /nfs/dbraw/zinc/12/54/86/376125486.db2.gz RNVYWFUAXQXNQL-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000337189442 376125497 /nfs/dbraw/zinc/12/54/97/376125497.db2.gz RNVYWFUAXQXNQL-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000337189442 376125503 /nfs/dbraw/zinc/12/55/03/376125503.db2.gz RNVYWFUAXQXNQL-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000337189442 376125509 /nfs/dbraw/zinc/12/55/09/376125509.db2.gz RNVYWFUAXQXNQL-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000337348672 376214667 /nfs/dbraw/zinc/21/46/67/376214667.db2.gz ZGIOMVFZYVYWDA-LZLYRXPVSA-N 2 1 299.462 3.182 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C1CCCC1 ZINC000337377351 376215982 /nfs/dbraw/zinc/21/59/82/376215982.db2.gz HHMJSTDUNDSGAZ-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C1CCCC1 ZINC000337377351 376215989 /nfs/dbraw/zinc/21/59/89/376215989.db2.gz HHMJSTDUNDSGAZ-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222024702 376227679 /nfs/dbraw/zinc/22/76/79/376227679.db2.gz PWCKZATXMLCTSG-JYJNAYRXSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222024702 376227683 /nfs/dbraw/zinc/22/76/83/376227683.db2.gz PWCKZATXMLCTSG-JYJNAYRXSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222020691 376227827 /nfs/dbraw/zinc/22/78/27/376227827.db2.gz LMXTVDBJPMOCJS-JQHSSLGASA-N 2 1 272.436 3.142 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000539069503 376291396 /nfs/dbraw/zinc/29/13/96/376291396.db2.gz IHZRDAAZDNNSIM-HNAYVOBHSA-N 2 1 282.431 3.312 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000226436607 376359503 /nfs/dbraw/zinc/35/95/03/376359503.db2.gz SNCJUYCOPVJNSM-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000226436607 376359508 /nfs/dbraw/zinc/35/95/08/376359508.db2.gz SNCJUYCOPVJNSM-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000226439018 376359907 /nfs/dbraw/zinc/35/99/07/376359907.db2.gz VEJLUVVVZAJKPJ-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(COC)cc2)C[C@@H]1C ZINC000339009732 376630207 /nfs/dbraw/zinc/63/02/07/376630207.db2.gz HHYCYQJUTUKKKM-YJBOKZPZSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(COC)cc2)C[C@@H]1C ZINC000339009732 376630216 /nfs/dbraw/zinc/63/02/16/376630216.db2.gz HHYCYQJUTUKKKM-YJBOKZPZSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(COC)cc2)C[C@@H]1C ZINC000339009732 376630222 /nfs/dbraw/zinc/63/02/22/376630222.db2.gz HHYCYQJUTUKKKM-YJBOKZPZSA-N 2 1 290.451 3.138 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000543394834 376634388 /nfs/dbraw/zinc/63/43/88/376634388.db2.gz OJLSGVJNDOHTKL-BPQIPLTHSA-N 2 1 278.484 3.476 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)Cc2ccsc2)C1 ZINC000544024124 376695029 /nfs/dbraw/zinc/69/50/29/376695029.db2.gz TVIPZLNZBPCXHH-HOCLYGCPSA-N 2 1 280.481 3.343 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000544024124 376695033 /nfs/dbraw/zinc/69/50/33/376695033.db2.gz TVIPZLNZBPCXHH-HOCLYGCPSA-N 2 1 280.481 3.343 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000544010726 376695635 /nfs/dbraw/zinc/69/56/35/376695635.db2.gz ZLBISEQAWUCSBN-GOEBONIOSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000544010726 376695643 /nfs/dbraw/zinc/69/56/43/376695643.db2.gz ZLBISEQAWUCSBN-GOEBONIOSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000544010726 376695650 /nfs/dbraw/zinc/69/56/50/376695650.db2.gz ZLBISEQAWUCSBN-GOEBONIOSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000245391204 376804523 /nfs/dbraw/zinc/80/45/23/376804523.db2.gz PBZITTRBJPIWSN-RJZRQDKASA-N 2 1 278.465 3.444 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000339848467 376868695 /nfs/dbraw/zinc/86/86/95/376868695.db2.gz UKNBGZUSSIQVOB-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000339848467 376868697 /nfs/dbraw/zinc/86/86/97/376868697.db2.gz UKNBGZUSSIQVOB-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000339848467 376868700 /nfs/dbraw/zinc/86/87/00/376868700.db2.gz UKNBGZUSSIQVOB-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000339848467 376868702 /nfs/dbraw/zinc/86/87/02/376868702.db2.gz UKNBGZUSSIQVOB-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Cc2ccccc2)C1 ZINC000245737729 376894675 /nfs/dbraw/zinc/89/46/75/376894675.db2.gz WUMKMGQBZCNGIR-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000245737729 376894686 /nfs/dbraw/zinc/89/46/86/376894686.db2.gz WUMKMGQBZCNGIR-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000245737729 376894696 /nfs/dbraw/zinc/89/46/96/376894696.db2.gz WUMKMGQBZCNGIR-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)o1 ZINC000245786069 376908174 /nfs/dbraw/zinc/90/81/74/376908174.db2.gz VFLHHPMNNVMBJQ-CZUORRHYSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)o1 ZINC000245786069 376908180 /nfs/dbraw/zinc/90/81/80/376908180.db2.gz VFLHHPMNNVMBJQ-CZUORRHYSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)o1 ZINC000245786069 376908189 /nfs/dbraw/zinc/90/81/89/376908189.db2.gz VFLHHPMNNVMBJQ-CZUORRHYSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)o1 ZINC000245786069 376908198 /nfs/dbraw/zinc/90/81/98/376908198.db2.gz VFLHHPMNNVMBJQ-CZUORRHYSA-N 2 1 264.413 3.004 20 0 CGADMP CC(C)C[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000557084975 376921674 /nfs/dbraw/zinc/92/16/74/376921674.db2.gz UFYZOMZNLTWGPN-UXLLHSPISA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000557084975 376921676 /nfs/dbraw/zinc/92/16/76/376921676.db2.gz UFYZOMZNLTWGPN-UXLLHSPISA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000557084975 376921679 /nfs/dbraw/zinc/92/16/79/376921679.db2.gz UFYZOMZNLTWGPN-UXLLHSPISA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000557084975 376921683 /nfs/dbraw/zinc/92/16/83/376921683.db2.gz UFYZOMZNLTWGPN-UXLLHSPISA-N 2 1 264.457 3.370 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCC(F)(F)C1 ZINC000340281523 376980010 /nfs/dbraw/zinc/98/00/10/376980010.db2.gz WJDXHXPUQZQRDG-KGLIPLIRSA-N 2 1 274.399 3.228 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCC(F)(F)C1 ZINC000340281523 376980014 /nfs/dbraw/zinc/98/00/14/376980014.db2.gz WJDXHXPUQZQRDG-KGLIPLIRSA-N 2 1 274.399 3.228 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C23CCCC3)C1 ZINC000245935660 376938205 /nfs/dbraw/zinc/93/82/05/376938205.db2.gz TXPILVMUFXIMHP-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000245951242 376942802 /nfs/dbraw/zinc/94/28/02/376942802.db2.gz CBEMGQCTRLMUGO-CRAIPNDOSA-N 2 1 272.436 3.459 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246353132 377015035 /nfs/dbraw/zinc/01/50/35/377015035.db2.gz GGMWBJQCXGKDKA-BLLLJJGKSA-N 2 1 282.378 3.127 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000558611249 377025427 /nfs/dbraw/zinc/02/54/27/377025427.db2.gz YMBSKYCCEVZDOL-SOLBZPMBSA-N 2 1 287.451 3.039 20 0 CGADMP CCc1cccc(F)c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000558417757 377003283 /nfs/dbraw/zinc/00/32/83/377003283.db2.gz HJGPZKBSJZCUSD-XYPWUTKMSA-N 2 1 290.426 3.445 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246306422 377008519 /nfs/dbraw/zinc/00/85/19/377008519.db2.gz DLVIPVJULYSJBT-CVEARBPZSA-N 2 1 296.499 3.290 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246899051 377114553 /nfs/dbraw/zinc/11/45/53/377114553.db2.gz FTHLBZGLGSLTNJ-YJBOKZPZSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC(C(C)C)C(C)C ZINC000560050094 377116145 /nfs/dbraw/zinc/11/61/45/377116145.db2.gz ZAMDPJCTDBWAIG-CQSZACIVSA-N 2 1 265.445 3.345 20 0 CGADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000559765759 377096828 /nfs/dbraw/zinc/09/68/28/377096828.db2.gz AUTRIAYISXFJBE-OKZBNKHCSA-N 2 1 290.451 3.083 20 0 CGADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000559765759 377096834 /nfs/dbraw/zinc/09/68/34/377096834.db2.gz AUTRIAYISXFJBE-OKZBNKHCSA-N 2 1 290.451 3.083 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C12CCCCC2 ZINC000246960908 377127648 /nfs/dbraw/zinc/12/76/48/377127648.db2.gz HWVQKABOELEVEE-LTIDMASMSA-N 2 1 294.483 3.187 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C12CCCCC2 ZINC000246960908 377127658 /nfs/dbraw/zinc/12/76/58/377127658.db2.gz HWVQKABOELEVEE-LTIDMASMSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)OCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247131419 377165005 /nfs/dbraw/zinc/16/50/05/377165005.db2.gz ZQMRWPOEHSDYBN-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)OCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247131419 377165011 /nfs/dbraw/zinc/16/50/11/377165011.db2.gz ZQMRWPOEHSDYBN-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)OCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247131419 377165014 /nfs/dbraw/zinc/16/50/14/377165014.db2.gz ZQMRWPOEHSDYBN-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000247183489 377172510 /nfs/dbraw/zinc/17/25/10/377172510.db2.gz VIWKZBWKRUYWGO-WMZOPIPTSA-N 2 1 274.452 3.166 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000247219065 377179526 /nfs/dbraw/zinc/17/95/26/377179526.db2.gz XLMTXFBPICHQCT-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000247219065 377179530 /nfs/dbraw/zinc/17/95/30/377179530.db2.gz XLMTXFBPICHQCT-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000561514885 377230281 /nfs/dbraw/zinc/23/02/81/377230281.db2.gz CDLGTPZSKHQLQK-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@H]1n1ccnc1 ZINC000247674877 377231984 /nfs/dbraw/zinc/23/19/84/377231984.db2.gz RELXMEZMOKPTOA-UKRRQHHQSA-N 2 1 296.374 3.107 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@H]21 ZINC000248008777 377256372 /nfs/dbraw/zinc/25/63/72/377256372.db2.gz LAGDVTFDWVCXBQ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000248008777 377256383 /nfs/dbraw/zinc/25/63/83/377256383.db2.gz LAGDVTFDWVCXBQ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000248008777 377256395 /nfs/dbraw/zinc/25/63/95/377256395.db2.gz LAGDVTFDWVCXBQ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000248008777 377256408 /nfs/dbraw/zinc/25/64/08/377256408.db2.gz LAGDVTFDWVCXBQ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000248008777 377256417 /nfs/dbraw/zinc/25/64/17/377256417.db2.gz LAGDVTFDWVCXBQ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP CC(C)c1cnc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000248493588 377331076 /nfs/dbraw/zinc/33/10/76/377331076.db2.gz PHLWVRKZUXRAHK-KBPBESRZSA-N 2 1 293.480 3.183 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000562585625 377334953 /nfs/dbraw/zinc/33/49/53/377334953.db2.gz XNDBXLVZHPENRH-HNNXBMFYSA-N 2 1 271.408 3.063 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000562585625 377334963 /nfs/dbraw/zinc/33/49/63/377334963.db2.gz XNDBXLVZHPENRH-HNNXBMFYSA-N 2 1 271.408 3.063 20 0 CGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Cl)CC[C@H]21 ZINC000248167598 377273663 /nfs/dbraw/zinc/27/36/63/377273663.db2.gz UBTRFJKPTGJFRO-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Cl)CC[C@H]21 ZINC000248167598 377273674 /nfs/dbraw/zinc/27/36/74/377273674.db2.gz UBTRFJKPTGJFRO-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3Cl)CC[C@H]21 ZINC000248167598 377273682 /nfs/dbraw/zinc/27/36/82/377273682.db2.gz UBTRFJKPTGJFRO-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@H]21 ZINC000248167598 377273695 /nfs/dbraw/zinc/27/36/95/377273695.db2.gz UBTRFJKPTGJFRO-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345584 377292836 /nfs/dbraw/zinc/29/28/36/377292836.db2.gz MYABKOBSSWKHHJ-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345584 377292843 /nfs/dbraw/zinc/29/28/43/377292843.db2.gz MYABKOBSSWKHHJ-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345584 377292851 /nfs/dbraw/zinc/29/28/51/377292851.db2.gz MYABKOBSSWKHHJ-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345584 377292856 /nfs/dbraw/zinc/29/28/56/377292856.db2.gz MYABKOBSSWKHHJ-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccnc3ccccc13)CC[NH2+]CC2 ZINC000562969100 377382008 /nfs/dbraw/zinc/38/20/08/377382008.db2.gz IEENPRXPQSTOEJ-HNNXBMFYSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H](C[NH3+])C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000562744136 377354900 /nfs/dbraw/zinc/35/49/00/377354900.db2.gz QMRXVPYWPJKJGN-SNVBAGLBSA-N 2 1 295.839 3.148 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000249037125 377446806 /nfs/dbraw/zinc/44/68/06/377446806.db2.gz SZNFJSRWXXLLMB-MSOLQXFVSA-N 2 1 287.451 3.225 20 0 CGADMP C[C@@H](CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000249052785 377451199 /nfs/dbraw/zinc/45/11/99/377451199.db2.gz XWHDJBAQNLSFAK-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@@H](CC[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000249052785 377451204 /nfs/dbraw/zinc/45/12/04/377451204.db2.gz XWHDJBAQNLSFAK-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@@H](CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000249052785 377451207 /nfs/dbraw/zinc/45/12/07/377451207.db2.gz XWHDJBAQNLSFAK-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000248824661 377406634 /nfs/dbraw/zinc/40/66/34/377406634.db2.gz FWVGSHWVLZUORN-LDBYLJPUSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000249088714 377459299 /nfs/dbraw/zinc/45/92/99/377459299.db2.gz GCOBOAIDOQJYEL-QXCFHYIPSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000249088714 377459303 /nfs/dbraw/zinc/45/93/03/377459303.db2.gz GCOBOAIDOQJYEL-QXCFHYIPSA-N 2 1 286.463 3.470 20 0 CGADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000249095105 377461137 /nfs/dbraw/zinc/46/11/37/377461137.db2.gz FNFTVTDFGIBAIV-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249095105 377461143 /nfs/dbraw/zinc/46/11/43/377461143.db2.gz FNFTVTDFGIBAIV-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249095105 377461168 /nfs/dbraw/zinc/46/11/68/377461168.db2.gz FNFTVTDFGIBAIV-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249194718 377476635 /nfs/dbraw/zinc/47/66/35/377476635.db2.gz QEDCEWSAYTUCHE-HZPDHXFCSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000249376498 377495376 /nfs/dbraw/zinc/49/53/76/377495376.db2.gz OESZVQSVCZOOCM-BRWVUGGUSA-N 2 1 264.457 3.373 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000249385643 377497519 /nfs/dbraw/zinc/49/75/19/377497519.db2.gz ZZANQGZMDPWTOW-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000164654187 542171298 /nfs/dbraw/zinc/17/12/98/542171298.db2.gz YBQYWEFPFSVXIK-KRWDZBQOSA-N 2 1 287.382 3.388 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720799 249029540 /nfs/dbraw/zinc/02/95/40/249029540.db2.gz ZPIUUHBMDRVFMH-WBVHZDCISA-N 2 1 290.451 3.438 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000312986257 249083897 /nfs/dbraw/zinc/08/38/97/249083897.db2.gz HIDCZYWRZFJDDT-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166482064 542175221 /nfs/dbraw/zinc/17/52/21/542175221.db2.gz DMWOGQURYHCRNT-QZTJIDSGSA-N 2 1 286.463 3.489 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000312502973 249080303 /nfs/dbraw/zinc/08/03/03/249080303.db2.gz QXNIBTSQTMREML-BXUZGUMPSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000312502973 249080305 /nfs/dbraw/zinc/08/03/05/249080305.db2.gz QXNIBTSQTMREML-BXUZGUMPSA-N 2 1 286.341 3.122 20 0 CGADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000469981887 249164997 /nfs/dbraw/zinc/16/49/97/249164997.db2.gz ASFGNBJCFDMIDK-QGZVFWFLSA-N 2 1 272.436 3.092 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000250592672 377563140 /nfs/dbraw/zinc/56/31/40/377563140.db2.gz HWLSZWIZMQGCCX-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000470020341 249166116 /nfs/dbraw/zinc/16/61/16/249166116.db2.gz XZVWQKZWGXIVDC-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000481294578 249170100 /nfs/dbraw/zinc/17/01/00/249170100.db2.gz LHTWEXJPYZUYCK-QZTJIDSGSA-N 2 1 292.442 3.323 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000251234608 377578197 /nfs/dbraw/zinc/57/81/97/377578197.db2.gz KYSFGZUWAFGNOP-RDBSUJKOSA-N 2 1 264.438 3.416 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2cccnc2)C2CC2)c2ccccc21 ZINC000516562447 249236610 /nfs/dbraw/zinc/23/66/10/249236610.db2.gz YSVPEWJWOLLFGE-KZNAEPCWSA-N 2 1 279.387 3.267 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000516580866 249237167 /nfs/dbraw/zinc/23/71/67/249237167.db2.gz USNSWCFENFINDF-RDTXWAMCSA-N 2 1 281.403 3.060 20 0 CGADMP C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000515578809 249215702 /nfs/dbraw/zinc/21/57/02/249215702.db2.gz VHDMSQBPGXDOMA-KFWWJZLASA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000515578809 249215705 /nfs/dbraw/zinc/21/57/05/249215705.db2.gz VHDMSQBPGXDOMA-KFWWJZLASA-N 2 1 250.430 3.124 20 0 CGADMP Cc1ccc2c(c1)[nH+]c(C)cc2OCC[C@H]1CC[NH2+]C1 ZINC000517126554 249257680 /nfs/dbraw/zinc/25/76/80/249257680.db2.gz KQOXCFIXMLSMQA-CQSZACIVSA-N 2 1 270.376 3.230 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000517123168 249257720 /nfs/dbraw/zinc/25/77/20/249257720.db2.gz XWGUBLWFZLYRDY-YJBOKZPZSA-N 2 1 290.451 3.137 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251586485 377588750 /nfs/dbraw/zinc/58/87/50/377588750.db2.gz XATLOKMZYIHJEY-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251586485 377588760 /nfs/dbraw/zinc/58/87/60/377588760.db2.gz XATLOKMZYIHJEY-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251705410 377595709 /nfs/dbraw/zinc/59/57/09/377595709.db2.gz JFUMNUVJZAUIFF-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000251828412 377601012 /nfs/dbraw/zinc/60/10/12/377601012.db2.gz YTLUTYCXDHVQFJ-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672825 377646889 /nfs/dbraw/zinc/64/68/89/377646889.db2.gz DBUDPVCRGUVLNP-IRXDYDNUSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672825 377646898 /nfs/dbraw/zinc/64/68/98/377646898.db2.gz DBUDPVCRGUVLNP-IRXDYDNUSA-N 2 1 288.435 3.190 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000252709040 377652189 /nfs/dbraw/zinc/65/21/89/377652189.db2.gz BVWAWPQINIMCJP-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(C[N@H+](CCn2cc[nH+]c2C)C2CC2)cc1 ZINC000342571922 377666770 /nfs/dbraw/zinc/66/67/70/377666770.db2.gz FAYZJTGPHVVUBD-UHFFFAOYSA-N 2 1 283.419 3.419 20 0 CGADMP CCc1ccc(C[N@@H+](CCn2cc[nH+]c2C)C2CC2)cc1 ZINC000342571922 377666774 /nfs/dbraw/zinc/66/67/74/377666774.db2.gz FAYZJTGPHVVUBD-UHFFFAOYSA-N 2 1 283.419 3.419 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000252891497 377669516 /nfs/dbraw/zinc/66/95/16/377669516.db2.gz KUIBXQLLSNGQBK-WMLDXEAASA-N 2 1 274.452 3.414 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253179972 377680708 /nfs/dbraw/zinc/68/07/08/377680708.db2.gz DCHGNUQTFYIYOI-MBNYWOFBSA-N 2 1 266.816 3.318 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000342604699 377686799 /nfs/dbraw/zinc/68/67/99/377686799.db2.gz FFUUWPDBKWBACD-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000342604699 377686804 /nfs/dbraw/zinc/68/68/04/377686804.db2.gz FFUUWPDBKWBACD-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP Cc1ncncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000574822564 377714197 /nfs/dbraw/zinc/71/41/97/377714197.db2.gz KTLCNBQRGIXOOO-HUUCEWRRSA-N 2 1 290.455 3.090 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000342858171 377839984 /nfs/dbraw/zinc/83/99/84/377839984.db2.gz BCXKIHUDXAJUHH-OAHLLOKOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000342858171 377839998 /nfs/dbraw/zinc/83/99/98/377839998.db2.gz BCXKIHUDXAJUHH-OAHLLOKOSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261694594 377840086 /nfs/dbraw/zinc/84/00/86/377840086.db2.gz NPCHEAZSTXRRET-DZGBDDFRSA-N 2 1 296.361 3.018 20 0 CGADMP CCC[N@@H+](CCC1CCCCC1)C1CC[NH2+]CC1 ZINC000261559996 377818792 /nfs/dbraw/zinc/81/87/92/377818792.db2.gz DZWAPTVOANJDJQ-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261583193 377824156 /nfs/dbraw/zinc/82/41/56/377824156.db2.gz RRIVFXBALDBCNH-UTLUCORTSA-N 2 1 260.303 3.092 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261632913 377832332 /nfs/dbraw/zinc/83/23/32/377832332.db2.gz BLGCWRCSCRCULR-ABAIWWIYSA-N 2 1 284.350 3.020 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2C2CCCCC2)CC[NH2+]C1 ZINC000261899424 377865455 /nfs/dbraw/zinc/86/54/55/377865455.db2.gz VSYULQWNTCZKGU-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2C2CCCCC2)CC[NH2+]C1 ZINC000261899421 377865563 /nfs/dbraw/zinc/86/55/63/377865563.db2.gz VSYULQWNTCZKGU-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3cnccc32)CC[N@@H+]1C ZINC000183357067 542230620 /nfs/dbraw/zinc/23/06/20/542230620.db2.gz WTHIZKWQKJIOOG-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3cnccc32)CC[N@H+]1C ZINC000183357067 542230622 /nfs/dbraw/zinc/23/06/22/542230622.db2.gz WTHIZKWQKJIOOG-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3cnccc32)CC[NH+]1C ZINC000183357067 542230624 /nfs/dbraw/zinc/23/06/24/542230624.db2.gz WTHIZKWQKJIOOG-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3cnccc32)CC[NH+]1C ZINC000183357067 542230627 /nfs/dbraw/zinc/23/06/27/542230627.db2.gz WTHIZKWQKJIOOG-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC12CCCCC2 ZINC000262006149 377877837 /nfs/dbraw/zinc/87/78/37/377877837.db2.gz UOCNADOWZMEZQO-OAHLLOKOSA-N 2 1 264.457 3.278 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)ccc2c1 ZINC000262027917 377880178 /nfs/dbraw/zinc/88/01/78/377880178.db2.gz YKHVMEBXMIFGAE-HNNXBMFYSA-N 2 1 298.430 3.409 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000262078318 377884192 /nfs/dbraw/zinc/88/41/92/377884192.db2.gz SUYPCDIZFYZZMZ-CJNGLKHVSA-N 2 1 293.480 3.014 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000262078318 377884195 /nfs/dbraw/zinc/88/41/95/377884195.db2.gz SUYPCDIZFYZZMZ-CJNGLKHVSA-N 2 1 293.480 3.014 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)ccc2c1 ZINC000262489767 377898847 /nfs/dbraw/zinc/89/88/47/377898847.db2.gz KVUHNALEUOEFJC-GOSISDBHSA-N 2 1 298.430 3.422 20 0 CGADMP CCSCC[C@@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000342866351 377849257 /nfs/dbraw/zinc/84/92/57/377849257.db2.gz ZWOAFBJHUCCWCY-CYBMUJFWSA-N 2 1 269.458 3.045 20 0 CGADMP CCSCC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000342866351 377849268 /nfs/dbraw/zinc/84/92/68/377849268.db2.gz ZWOAFBJHUCCWCY-CYBMUJFWSA-N 2 1 269.458 3.045 20 0 CGADMP CCSCC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000342866351 377849273 /nfs/dbraw/zinc/84/92/73/377849273.db2.gz ZWOAFBJHUCCWCY-CYBMUJFWSA-N 2 1 269.458 3.045 20 0 CGADMP Cc1ncsc1C[N@@H+](CCC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC000261785963 377853895 /nfs/dbraw/zinc/85/38/95/377853895.db2.gz FVKLUJOTFQDHSF-AWEZNQCLSA-N 2 1 295.496 3.299 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000343638427 378049638 /nfs/dbraw/zinc/04/96/38/378049638.db2.gz WXHJYLSQGRQXCW-GJZGRUSLSA-N 2 1 299.393 3.090 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000578517173 378077387 /nfs/dbraw/zinc/07/73/87/378077387.db2.gz VMAYFCGOZYOKIE-HHARLNAUSA-N 2 1 264.457 3.418 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000268813826 378118462 /nfs/dbraw/zinc/11/84/62/378118462.db2.gz FPTLHKBNAJYSEO-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC1 ZINC000268815089 378118795 /nfs/dbraw/zinc/11/87/95/378118795.db2.gz PLHJSFNGGOJPRZ-CRAIPNDOSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC1 ZINC000268815089 378118802 /nfs/dbraw/zinc/11/88/02/378118802.db2.gz PLHJSFNGGOJPRZ-CRAIPNDOSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nc(C(C)(C)C)cs1 ZINC000579004793 378119930 /nfs/dbraw/zinc/11/99/30/378119930.db2.gz PONISLBJZKONAH-SDDRHHMPSA-N 2 1 281.469 3.361 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccccc1F ZINC000268830672 378125639 /nfs/dbraw/zinc/12/56/39/378125639.db2.gz DXQQZKLWYSFBPJ-CQSZACIVSA-N 2 1 289.398 3.332 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000268834532 378127543 /nfs/dbraw/zinc/12/75/43/378127543.db2.gz TXRNPFQIAHVALU-AWEZNQCLSA-N 2 1 273.405 3.018 20 0 CGADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268875898 378139684 /nfs/dbraw/zinc/13/96/84/378139684.db2.gz VODISIZDKSBLRF-NUJGCVRESA-N 2 1 290.451 3.054 20 0 CGADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268875898 378139690 /nfs/dbraw/zinc/13/96/90/378139690.db2.gz VODISIZDKSBLRF-NUJGCVRESA-N 2 1 290.451 3.054 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000268911632 378149649 /nfs/dbraw/zinc/14/96/49/378149649.db2.gz YYZGKFAZEFZFFS-GFCCVEGCSA-N 2 1 261.344 3.072 20 0 CGADMP CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268748532 378101809 /nfs/dbraw/zinc/10/18/09/378101809.db2.gz TWBZBZTUFWFLRD-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268748532 378101810 /nfs/dbraw/zinc/10/18/10/378101810.db2.gz TWBZBZTUFWFLRD-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP CN(CCC[N@H+](C)Cc1ccco1)c1cc[nH+]cc1Cl ZINC000343817399 378102518 /nfs/dbraw/zinc/10/25/18/378102518.db2.gz UVIFRDKIGCQDKV-UHFFFAOYSA-N 2 1 293.798 3.286 20 0 CGADMP CN(CCC[N@@H+](C)Cc1ccco1)c1cc[nH+]cc1Cl ZINC000343817399 378102525 /nfs/dbraw/zinc/10/25/25/378102525.db2.gz UVIFRDKIGCQDKV-UHFFFAOYSA-N 2 1 293.798 3.286 20 0 CGADMP COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000345172147 378213283 /nfs/dbraw/zinc/21/32/83/378213283.db2.gz TVSFGZNGPLAVNE-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000345195459 378219964 /nfs/dbraw/zinc/21/99/64/378219964.db2.gz BMQCFPZCIWSEQW-ZDUSSCGKSA-N 2 1 284.806 3.443 20 0 CGADMP CC(C)(C[NH2+]Cc1cnc(C2CC2)s1)C[NH+]1CCCC1 ZINC000579423809 378158834 /nfs/dbraw/zinc/15/88/34/378158834.db2.gz JIMKNXHYNVWHRE-UHFFFAOYSA-N 2 1 293.480 3.232 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000579554053 378171766 /nfs/dbraw/zinc/17/17/66/378171766.db2.gz AQSHEPVPILZDAJ-JONQDZQNSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000579554053 378171767 /nfs/dbraw/zinc/17/17/67/378171767.db2.gz AQSHEPVPILZDAJ-JONQDZQNSA-N 2 1 282.472 3.043 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc1SC ZINC000269053282 378180079 /nfs/dbraw/zinc/18/00/79/378180079.db2.gz WEELJISUVNWADN-QWHCGFSZSA-N 2 1 296.480 3.408 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269952865 378287421 /nfs/dbraw/zinc/28/74/21/378287421.db2.gz JRBBCTHWIGTMSZ-HOTGVXAUSA-N 2 1 297.446 3.235 20 0 CGADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000580097497 378225432 /nfs/dbraw/zinc/22/54/32/378225432.db2.gz PHYPCSYYJVXNSY-OAGGEKHMSA-N 2 1 296.499 3.026 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000580789071 378257786 /nfs/dbraw/zinc/25/77/86/378257786.db2.gz GVSKODXNUOIIPB-IBGZPJMESA-N 2 1 297.446 3.455 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000580789071 378257789 /nfs/dbraw/zinc/25/77/89/378257789.db2.gz GVSKODXNUOIIPB-IBGZPJMESA-N 2 1 297.446 3.455 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000583612320 378335736 /nfs/dbraw/zinc/33/57/36/378335736.db2.gz XXLLNRCLVQACBB-ZDUSSCGKSA-N 2 1 256.340 3.231 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnc2ccccc12 ZINC000584080865 378373324 /nfs/dbraw/zinc/37/33/24/378373324.db2.gz XPIBNQZDZZGMNN-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213294 378483603 /nfs/dbraw/zinc/48/36/03/378483603.db2.gz VRRUUUIJCFIFJS-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213294 378483606 /nfs/dbraw/zinc/48/36/06/378483606.db2.gz VRRUUUIJCFIFJS-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213294 378483609 /nfs/dbraw/zinc/48/36/09/378483609.db2.gz VRRUUUIJCFIFJS-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000346165710 378486436 /nfs/dbraw/zinc/48/64/36/378486436.db2.gz IRUBTGGWCBFZKD-UONOGXRCSA-N 2 1 284.407 3.054 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000346167441 378488342 /nfs/dbraw/zinc/48/83/42/378488342.db2.gz KKNKNGVXZMSBMB-HUUCEWRRSA-N 2 1 298.434 3.444 20 0 CGADMP CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C1(CC)CC ZINC000346272915 378529230 /nfs/dbraw/zinc/52/92/30/378529230.db2.gz HPXGLFDPDVZNRF-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(CC)CC ZINC000346272915 378529236 /nfs/dbraw/zinc/52/92/36/378529236.db2.gz HPXGLFDPDVZNRF-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP C[C@@H]([NH2+]CC1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272435658 378636914 /nfs/dbraw/zinc/63/69/14/378636914.db2.gz IBQZILVBRNSPGU-QAPCUYQASA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272298997 378607186 /nfs/dbraw/zinc/60/71/86/378607186.db2.gz GRHRMHZTCXMFHS-HDMKZQKVSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000272383152 378625884 /nfs/dbraw/zinc/62/58/84/378625884.db2.gz HYPAUOQVUWSANG-CXAGYDPISA-N 2 1 269.392 3.023 20 0 CGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346825175 378693062 /nfs/dbraw/zinc/69/30/62/378693062.db2.gz AURMRIDESFZOTM-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638324664 378770364 /nfs/dbraw/zinc/77/03/64/378770364.db2.gz SCGBAUFFQOXQLM-RDJZCZTQSA-N 2 1 258.409 3.353 20 0 CGADMP CC(C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638324664 378770369 /nfs/dbraw/zinc/77/03/69/378770369.db2.gz SCGBAUFFQOXQLM-RDJZCZTQSA-N 2 1 258.409 3.353 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC1CCOCC1 ZINC000638366481 378781004 /nfs/dbraw/zinc/78/10/04/378781004.db2.gz PQAODSVQAVPGAN-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000638366471 378781505 /nfs/dbraw/zinc/78/15/05/378781505.db2.gz PFGHEIXZGGHXPB-RBSFLKMASA-N 2 1 270.486 3.125 20 0 CGADMP CC[N@@H+]1CC[C@H](N(C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142920 378811107 /nfs/dbraw/zinc/81/11/07/378811107.db2.gz ZQWJGJGMEKBNDG-RDJZCZTQSA-N 2 1 288.435 3.064 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142920 378811114 /nfs/dbraw/zinc/81/11/14/378811114.db2.gz ZQWJGJGMEKBNDG-RDJZCZTQSA-N 2 1 288.435 3.064 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348237910 378857117 /nfs/dbraw/zinc/85/71/17/378857117.db2.gz DKOBJUDUURBTOO-HYVNUMGLSA-N 2 1 260.425 3.110 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@H]1C[C@H]1c1ccccc1)C(C)C ZINC000348249701 378864268 /nfs/dbraw/zinc/86/42/68/378864268.db2.gz VLCCEQYEUQWYOH-SJORKVTESA-N 2 1 260.425 3.110 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@H]1C[C@H]1c1ccccc1)C(C)C ZINC000348249701 378864271 /nfs/dbraw/zinc/86/42/71/378864271.db2.gz VLCCEQYEUQWYOH-SJORKVTESA-N 2 1 260.425 3.110 20 0 CGADMP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000638707707 378882678 /nfs/dbraw/zinc/88/26/78/378882678.db2.gz KLUFSUVVIDZUEQ-KBAYOESNSA-N 2 1 290.451 3.225 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H]2CCC[NH2+]C2)s1 ZINC000346976815 218076773 /nfs/dbraw/zinc/07/67/73/218076773.db2.gz KBVRBILCAXGHGO-QWHCGFSZSA-N 2 1 281.469 3.006 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)s1 ZINC000346976815 218076775 /nfs/dbraw/zinc/07/67/75/218076775.db2.gz KBVRBILCAXGHGO-QWHCGFSZSA-N 2 1 281.469 3.006 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccn1 ZINC000346983235 218079304 /nfs/dbraw/zinc/07/93/04/218079304.db2.gz FVVHHYLHKKBWKM-HNNXBMFYSA-N 2 1 263.429 3.243 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccn1 ZINC000346983235 218079307 /nfs/dbraw/zinc/07/93/07/218079307.db2.gz FVVHHYLHKKBWKM-HNNXBMFYSA-N 2 1 263.429 3.243 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000347000868 218087658 /nfs/dbraw/zinc/08/76/58/218087658.db2.gz ZQPDVCOULCLAOH-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275293803 378955601 /nfs/dbraw/zinc/95/56/01/378955601.db2.gz PCIIFNBMVDRFBO-WMLDXEAASA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275293803 378955604 /nfs/dbraw/zinc/95/56/04/378955604.db2.gz PCIIFNBMVDRFBO-WMLDXEAASA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275293803 378955611 /nfs/dbraw/zinc/95/56/11/378955611.db2.gz PCIIFNBMVDRFBO-WMLDXEAASA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275293803 378955616 /nfs/dbraw/zinc/95/56/16/378955616.db2.gz PCIIFNBMVDRFBO-WMLDXEAASA-N 2 1 260.425 3.021 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000276717364 378984890 /nfs/dbraw/zinc/98/48/90/378984890.db2.gz DTFPLMXKGCESMO-SUMWQHHRSA-N 2 1 299.418 3.200 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000347067358 218111310 /nfs/dbraw/zinc/11/13/10/218111310.db2.gz MNCJQQDBNQTWOC-MRXNPFEDSA-N 2 1 276.424 3.036 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)s1)C1CC[NH2+]CC1 ZINC000347175445 218145123 /nfs/dbraw/zinc/14/51/23/218145123.db2.gz PLJYGDSXRIUYKK-UHFFFAOYSA-N 2 1 252.427 3.021 20 0 CGADMP CCC[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000347180600 218146531 /nfs/dbraw/zinc/14/65/31/218146531.db2.gz UZOBCJQRJZHKOD-WBVHZDCISA-N 2 1 260.425 3.241 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1Cl ZINC000347227865 218163512 /nfs/dbraw/zinc/16/35/12/218163512.db2.gz WPZGGIMHZGRPGB-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1Cl ZINC000347227865 218163513 /nfs/dbraw/zinc/16/35/13/218163513.db2.gz WPZGGIMHZGRPGB-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)c(F)c1)C1CC[NH2+]CC1 ZINC000347187823 218149530 /nfs/dbraw/zinc/14/95/30/218149530.db2.gz COTFNYKCXVTPRB-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CCC[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH2+]CC1 ZINC000347200323 218153500 /nfs/dbraw/zinc/15/35/00/218153500.db2.gz JGQQVZTUWXKERA-UHFFFAOYSA-N 2 1 286.341 3.068 20 0 CGADMP CCC[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH2+]CC1 ZINC000347200323 218153503 /nfs/dbraw/zinc/15/35/03/218153503.db2.gz JGQQVZTUWXKERA-UHFFFAOYSA-N 2 1 286.341 3.068 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624442 322170835 /nfs/dbraw/zinc/17/08/35/322170835.db2.gz PITQMBZMJOCIGF-BXUZGUMPSA-N 2 1 281.469 3.065 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277063490 379058878 /nfs/dbraw/zinc/05/88/78/379058878.db2.gz DGSPKIVHKIJYOS-HNNXBMFYSA-N 2 1 278.465 3.325 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277063490 379058886 /nfs/dbraw/zinc/05/88/86/379058886.db2.gz DGSPKIVHKIJYOS-HNNXBMFYSA-N 2 1 278.465 3.325 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccccc2n1C ZINC000639175340 379093447 /nfs/dbraw/zinc/09/34/47/379093447.db2.gz NEDGGOAMFAEQFJ-UHFFFAOYSA-N 2 1 296.418 3.205 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000639170778 379089507 /nfs/dbraw/zinc/08/95/07/379089507.db2.gz XVJXSHXSURAZRM-NUJGCVRESA-N 2 1 290.451 3.083 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccccc2n1C ZINC000639175340 379093454 /nfs/dbraw/zinc/09/34/54/379093454.db2.gz NEDGGOAMFAEQFJ-UHFFFAOYSA-N 2 1 296.418 3.205 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000639259987 379204349 /nfs/dbraw/zinc/20/43/49/379204349.db2.gz YSWZEWHTPWFFHA-MRXNPFEDSA-N 2 1 290.451 3.166 20 0 CGADMP Cc1ccccc1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000372368103 379194466 /nfs/dbraw/zinc/19/44/66/379194466.db2.gz IQTYNQCOPUIPKY-UHFFFAOYSA-N 2 1 295.430 3.491 20 0 CGADMP Fc1ccc([C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000278901556 194204844 /nfs/dbraw/zinc/20/48/44/194204844.db2.gz FVKSOZAHHMGKLB-ACJLOTCBSA-N 2 1 299.393 3.326 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+](C)CC2CN(C)C2)cc1C ZINC000639309374 379259644 /nfs/dbraw/zinc/25/96/44/379259644.db2.gz NNOMTWZAJJMXKZ-VOTSOKGWSA-N 2 1 272.436 3.118 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278917803 194211611 /nfs/dbraw/zinc/21/16/11/194211611.db2.gz HLCWXPVVDMRQSR-CHWSQXEVSA-N 2 1 275.421 3.166 20 0 CGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000569138494 322236869 /nfs/dbraw/zinc/23/68/69/322236869.db2.gz WYUOLFDZCHAAHQ-UHFFFAOYSA-N 2 1 289.345 3.017 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CCSC2)c1 ZINC000278346235 379356732 /nfs/dbraw/zinc/35/67/32/379356732.db2.gz HIDXGGOMBMZZAI-QGZVFWFLSA-N 2 1 292.492 3.370 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510242 379442031 /nfs/dbraw/zinc/44/20/31/379442031.db2.gz ZHGLPJAOZIQORY-NVXWUHKLSA-N 2 1 289.467 3.311 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510242 379442043 /nfs/dbraw/zinc/44/20/43/379442043.db2.gz ZHGLPJAOZIQORY-NVXWUHKLSA-N 2 1 289.467 3.311 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510242 379442052 /nfs/dbraw/zinc/44/20/52/379442052.db2.gz ZHGLPJAOZIQORY-NVXWUHKLSA-N 2 1 289.467 3.311 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510242 379442061 /nfs/dbraw/zinc/44/20/61/379442061.db2.gz ZHGLPJAOZIQORY-NVXWUHKLSA-N 2 1 289.467 3.311 20 0 CGADMP CCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000349963751 379459992 /nfs/dbraw/zinc/45/99/92/379459992.db2.gz LMFNRJGYIMCTNB-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000349963751 379459997 /nfs/dbraw/zinc/45/99/97/379459997.db2.gz LMFNRJGYIMCTNB-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CCc1nc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000376669731 379590550 /nfs/dbraw/zinc/59/05/50/379590550.db2.gz DLOTYIKSCRUKGW-UHFFFAOYSA-N 2 1 293.480 3.013 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c(C)n1 ZINC000639698606 379556022 /nfs/dbraw/zinc/55/60/22/379556022.db2.gz NFOXWSQOXPKLNV-CQSZACIVSA-N 2 1 274.408 3.150 20 0 CGADMP Cc1cc(C)c(CN2C[C@@H](C)OC3(CCC3)C2)c(C)n1 ZINC000639698606 379556030 /nfs/dbraw/zinc/55/60/30/379556030.db2.gz NFOXWSQOXPKLNV-CQSZACIVSA-N 2 1 274.408 3.150 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000267197218 190310320 /nfs/dbraw/zinc/31/03/20/190310320.db2.gz FGFZSNXEAQFTGJ-AWEZNQCLSA-N 2 1 269.392 3.013 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CCOC(C)(C)C)CC1 ZINC000639987922 379677945 /nfs/dbraw/zinc/67/79/45/379677945.db2.gz KJKTWIWRJXPEEQ-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP C[N@@H+](CC(C)(C)C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377703749 379724944 /nfs/dbraw/zinc/72/49/44/379724944.db2.gz RMSRPUFQSNAVHW-UHFFFAOYSA-N 2 1 261.413 3.028 20 0 CGADMP CC1(C)[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)[C@@H]2CCCC[C@@H]21 ZINC000377801990 379743595 /nfs/dbraw/zinc/74/35/95/379743595.db2.gz DLCXYXUGODNMSX-RSUWNVLCSA-N 2 1 273.424 3.071 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000267366290 190324457 /nfs/dbraw/zinc/32/44/57/190324457.db2.gz IYCLEWSVPKSWFI-QWRGUYRKSA-N 2 1 253.777 3.020 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C1CCCC1 ZINC000282178877 379868692 /nfs/dbraw/zinc/86/86/92/379868692.db2.gz FNDIJVVPCKDQHS-AWEZNQCLSA-N 2 1 297.446 3.099 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C1CCCC1 ZINC000282178877 379868696 /nfs/dbraw/zinc/86/86/96/379868696.db2.gz FNDIJVVPCKDQHS-AWEZNQCLSA-N 2 1 297.446 3.099 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352527173 379844709 /nfs/dbraw/zinc/84/47/09/379844709.db2.gz XKSMZNMZCYJSDC-IBGZPJMESA-N 2 1 280.415 3.415 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCCCOc1ccccc1 ZINC000352534018 379846810 /nfs/dbraw/zinc/84/68/10/379846810.db2.gz CHCHKKBQWGLEHS-KRWDZBQOSA-N 2 1 290.451 3.439 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H]1C ZINC000352735344 379930604 /nfs/dbraw/zinc/93/06/04/379930604.db2.gz HHIGJLHRQRCYEA-JHJVBQTASA-N 2 1 281.469 3.119 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC23CCCC3)C[NH2+]1 ZINC000399180453 379936251 /nfs/dbraw/zinc/93/62/51/379936251.db2.gz LIYFYVWXRDXLNQ-ILXRZTDVSA-N 2 1 250.430 3.220 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC23CCCC3)C[NH2+]1 ZINC000399180455 379936964 /nfs/dbraw/zinc/93/69/64/379936964.db2.gz LIYFYVWXRDXLNQ-QLFBSQMISA-N 2 1 250.430 3.220 20 0 CGADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000352766480 379948290 /nfs/dbraw/zinc/94/82/90/379948290.db2.gz XFXCZJUTKATAPY-GFCCVEGCSA-N 2 1 281.469 3.263 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000401727181 379959028 /nfs/dbraw/zinc/95/90/28/379959028.db2.gz MHTSDACGEJBUDX-CQSZACIVSA-N 2 1 297.324 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000282798052 379990347 /nfs/dbraw/zinc/99/03/47/379990347.db2.gz ZBRNSOMAHQPDFX-ZDUSSCGKSA-N 2 1 291.826 3.456 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000408510547 380014218 /nfs/dbraw/zinc/01/42/18/380014218.db2.gz SIVIROZLUZENEK-CAOSSQGBSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc(C2CC(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000283391341 380060402 /nfs/dbraw/zinc/06/04/02/380060402.db2.gz PPNHZTSGBNJWHH-SOTJZCEJSA-N 2 1 284.447 3.397 20 0 CGADMP CSc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000641729049 380064055 /nfs/dbraw/zinc/06/40/55/380064055.db2.gz PRMORXKPVPFVSO-UHFFFAOYSA-N 2 1 279.409 3.076 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283461892 380064923 /nfs/dbraw/zinc/06/49/23/380064923.db2.gz VNZZYHRNDAZGHR-LMSBXDPUSA-N 2 1 295.430 3.227 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)CC1CC[NH2+]CC1 ZINC000410070466 380072700 /nfs/dbraw/zinc/07/27/00/380072700.db2.gz CGPHIKLZMOPGAL-UHFFFAOYSA-N 2 1 278.415 3.427 20 0 CGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267973337 190366209 /nfs/dbraw/zinc/36/62/09/190366209.db2.gz CNHOXACGVDSZHA-BQFCYCMXSA-N 2 1 290.451 3.054 20 0 CGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267973337 190366210 /nfs/dbraw/zinc/36/62/10/190366210.db2.gz CNHOXACGVDSZHA-BQFCYCMXSA-N 2 1 290.451 3.054 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000410393873 380092957 /nfs/dbraw/zinc/09/29/57/380092957.db2.gz YTGUEYMQRFOCIB-DLBZAZTESA-N 2 1 284.488 3.101 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000641801624 380112031 /nfs/dbraw/zinc/11/20/31/380112031.db2.gz CZIMHWGXTSJAPN-SJORKVTESA-N 2 1 297.402 3.089 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000284125557 380126385 /nfs/dbraw/zinc/12/63/85/380126385.db2.gz NZWMSRBZOUZWFG-AWEZNQCLSA-N 2 1 286.423 3.101 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000353130228 380131875 /nfs/dbraw/zinc/13/18/75/380131875.db2.gz OERAGPTYANSFDU-OFQRWUPVSA-N 2 1 273.424 3.206 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000414185498 380199302 /nfs/dbraw/zinc/19/93/02/380199302.db2.gz OSPXQOOCTXMKNE-KSSFIOAISA-N 2 1 288.435 3.004 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414189048 380199936 /nfs/dbraw/zinc/19/99/36/380199936.db2.gz QXQSNXZAQCJIJI-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1C(C)(C)C1(C)C ZINC000353909770 380229427 /nfs/dbraw/zinc/22/94/27/380229427.db2.gz BPEZJTJSWAMKJE-STQMWFEESA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1C(C)(C)C1(C)C ZINC000353928282 380239049 /nfs/dbraw/zinc/23/90/49/380239049.db2.gz CBQCNTDTYQSSFC-GFCCVEGCSA-N 2 1 264.457 3.274 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643513498 380333503 /nfs/dbraw/zinc/33/35/03/380333503.db2.gz DOXDYUUDBQYFBX-AWEZNQCLSA-N 2 1 268.351 3.059 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000354085974 380314814 /nfs/dbraw/zinc/31/48/14/380314814.db2.gz LMBZCEYBGJZZBN-UXLLHSPISA-N 2 1 293.430 3.380 20 0 CGADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547449 380363610 /nfs/dbraw/zinc/36/36/10/380363610.db2.gz FRLDBCIGKPDHOY-IAQYHMDHSA-N 2 1 292.373 3.216 20 0 CGADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547450 380363807 /nfs/dbraw/zinc/36/38/07/380363807.db2.gz FRLDBCIGKPDHOY-NHYWBVRUSA-N 2 1 292.373 3.216 20 0 CGADMP CC(C)[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000414671732 380364377 /nfs/dbraw/zinc/36/43/77/380364377.db2.gz OGQOFGOVSZMKMH-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677502 380366810 /nfs/dbraw/zinc/36/68/10/380366810.db2.gz OXQPORLCZRKAJE-GOEBONIOSA-N 2 1 278.415 3.424 20 0 CGADMP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000414678468 380367350 /nfs/dbraw/zinc/36/73/50/380367350.db2.gz YFGOCFBBOXFNLB-OALUTQOASA-N 2 1 280.415 3.251 20 0 CGADMP [NH3+]CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000414678468 380367357 /nfs/dbraw/zinc/36/73/57/380367357.db2.gz YFGOCFBBOXFNLB-OALUTQOASA-N 2 1 280.415 3.251 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)c1cccc(OC)c1 ZINC000414704688 380382032 /nfs/dbraw/zinc/38/20/32/380382032.db2.gz MRADQVNFWXGAPY-OWCLPIDISA-N 2 1 290.451 3.466 20 0 CGADMP C[N@H+](Cc1ccccc1OCc1ccccc1)C1CC([NH3+])C1 ZINC000414768131 380396915 /nfs/dbraw/zinc/39/69/15/380396915.db2.gz HHGPNRZVVSTAAB-UHFFFAOYSA-N 2 1 296.414 3.187 20 0 CGADMP C[N@@H+](Cc1ccccc1OCc1ccccc1)C1CC([NH3+])C1 ZINC000414768131 380396916 /nfs/dbraw/zinc/39/69/16/380396916.db2.gz HHGPNRZVVSTAAB-UHFFFAOYSA-N 2 1 296.414 3.187 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000643526294 380342575 /nfs/dbraw/zinc/34/25/75/380342575.db2.gz XVUVFYHSMGGLPY-KBPBESRZSA-N 2 1 254.377 3.351 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000414759887 380395077 /nfs/dbraw/zinc/39/50/77/380395077.db2.gz FVJGSCJKLLLMFG-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414655815 380353658 /nfs/dbraw/zinc/35/36/58/380353658.db2.gz HMLFBRSXUIRAIE-SMDDNHRTSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414655815 380353665 /nfs/dbraw/zinc/35/36/65/380353665.db2.gz HMLFBRSXUIRAIE-SMDDNHRTSA-N 2 1 286.341 3.232 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC000414762850 380395197 /nfs/dbraw/zinc/39/51/97/380395197.db2.gz LVNLDQBIYANVLH-OAHLLOKOSA-N 2 1 298.352 3.199 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414668572 380360560 /nfs/dbraw/zinc/36/05/60/380360560.db2.gz AHPFPRIKFNGGMG-CABCVRRESA-N 2 1 278.415 3.424 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000354199146 380362303 /nfs/dbraw/zinc/36/23/03/380362303.db2.gz NPOSPRRGUQWGEJ-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000354199146 380362306 /nfs/dbraw/zinc/36/23/06/380362306.db2.gz NPOSPRRGUQWGEJ-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000414812677 380423958 /nfs/dbraw/zinc/42/39/58/380423958.db2.gz LHWZMPKXDDQDQS-MRXNPFEDSA-N 2 1 271.408 3.150 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414855569 380457198 /nfs/dbraw/zinc/45/71/98/380457198.db2.gz XBJAOPJPWNFGBY-HIFRSBDPSA-N 2 1 280.481 3.303 20 0 CGADMP CC(C)CC[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000644522416 380439018 /nfs/dbraw/zinc/43/90/18/380439018.db2.gz VSNVNPZXROBQBG-SJORKVTESA-N 2 1 284.488 3.028 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000414831037 380439801 /nfs/dbraw/zinc/43/98/01/380439801.db2.gz BTEHXOUIADZJRL-LBPRGKRZSA-N 2 1 296.842 3.074 20 0 CGADMP Cc1ccsc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855031 380458128 /nfs/dbraw/zinc/45/81/28/380458128.db2.gz VTWBGRBTUUTIOJ-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000414774972 380398676 /nfs/dbraw/zinc/39/86/76/380398676.db2.gz YZAWIQNQRWVMDR-PIKOESSRSA-N 2 1 298.474 3.428 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCCc1ccc(C)nc1 ZINC000354330441 380403500 /nfs/dbraw/zinc/40/35/00/380403500.db2.gz OKBFLZGUCBARCM-GOSISDBHSA-N 2 1 289.467 3.177 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCCc1ccc(C)nc1 ZINC000354330441 380403506 /nfs/dbraw/zinc/40/35/06/380403506.db2.gz OKBFLZGUCBARCM-GOSISDBHSA-N 2 1 289.467 3.177 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414786231 380404402 /nfs/dbraw/zinc/40/44/02/380404402.db2.gz UICXMGWHVWLGOZ-BPQIPLTHSA-N 2 1 272.436 3.112 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789645 380406744 /nfs/dbraw/zinc/40/67/44/380406744.db2.gz YJSWMRGGIVTAAA-UONOGXRCSA-N 2 1 278.827 3.162 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(SC)cc1 ZINC000414801959 380414933 /nfs/dbraw/zinc/41/49/33/380414933.db2.gz JTGSXWFPXFWEIJ-UHFFFAOYSA-N 2 1 252.427 3.016 20 0 CGADMP Cc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1Oc1cccnc1 ZINC000414804182 380416704 /nfs/dbraw/zinc/41/67/04/380416704.db2.gz NKGYWYJBMQYPHF-UHFFFAOYSA-N 2 1 285.391 3.009 20 0 CGADMP C[C@@]1(C[NH2+]Cc2cc3cc(F)ccc3o2)CCC[NH2+]C1 ZINC000414908368 380485799 /nfs/dbraw/zinc/48/57/99/380485799.db2.gz QVUIQBOFRQCPNU-MRXNPFEDSA-N 2 1 276.355 3.051 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414948865 380501758 /nfs/dbraw/zinc/50/17/58/380501758.db2.gz YJZDGWJATFZASG-GDLCADMTSA-N 2 1 286.341 3.278 20 0 CGADMP C[NH2+]CCC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414860330 380461757 /nfs/dbraw/zinc/46/17/57/380461757.db2.gz PJENWNSUURRBAC-UHFFFAOYSA-N 2 1 280.721 3.058 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000354524371 380471018 /nfs/dbraw/zinc/47/10/18/380471018.db2.gz GOULPIBXGUXNQE-INIZCTEOSA-N 2 1 296.418 3.198 20 0 CGADMP c1ccc(CC(C[NH2+][C@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000414883035 380474407 /nfs/dbraw/zinc/47/44/07/380474407.db2.gz NGRJTPXVJYEVCE-FQEVSTJZSA-N 2 1 294.442 3.040 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)CCc1ccsc1 ZINC000355315922 380639125 /nfs/dbraw/zinc/63/91/25/380639125.db2.gz NSNPHPPCBRKKRT-KGLIPLIRSA-N 2 1 268.470 3.389 20 0 CGADMP COc1cccc2c(NCC3([NH+](C)C)CC3)cc(C)[nH+]c12 ZINC000419009495 380762978 /nfs/dbraw/zinc/76/29/78/380762978.db2.gz NNRKATFKEBLNJL-UHFFFAOYSA-N 2 1 285.391 3.058 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2c(F)cccc2F)C[C@@H]1C ZINC000645811790 380740120 /nfs/dbraw/zinc/74/01/20/380740120.db2.gz KCAVDHXUVFPZRM-KBPBESRZSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2c(F)cccc2F)C[C@@H]1C ZINC000645811790 380740123 /nfs/dbraw/zinc/74/01/23/380740123.db2.gz KCAVDHXUVFPZRM-KBPBESRZSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2c(F)cccc2F)C[C@@H]1C ZINC000645811790 380740131 /nfs/dbraw/zinc/74/01/31/380740131.db2.gz KCAVDHXUVFPZRM-KBPBESRZSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2c(F)cccc2F)C[C@@H]1C ZINC000645811790 380740135 /nfs/dbraw/zinc/74/01/35/380740135.db2.gz KCAVDHXUVFPZRM-KBPBESRZSA-N 2 1 296.405 3.312 20 0 CGADMP C[N@H+]1CCC[C@@H]1CCNC1(c2ccccc2F)CCC1 ZINC000646025726 380804060 /nfs/dbraw/zinc/80/40/60/380804060.db2.gz YAWJGYRXXLHUJX-CQSZACIVSA-N 2 1 276.399 3.279 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000646025726 380804065 /nfs/dbraw/zinc/80/40/65/380804065.db2.gz YAWJGYRXXLHUJX-CQSZACIVSA-N 2 1 276.399 3.279 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000646025726 380804068 /nfs/dbraw/zinc/80/40/68/380804068.db2.gz YAWJGYRXXLHUJX-CQSZACIVSA-N 2 1 276.399 3.279 20 0 CGADMP c1c2cccnc2oc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334760070 207031343 /nfs/dbraw/zinc/03/13/43/207031343.db2.gz BENWLJWYQJDOAV-MRXNPFEDSA-N 2 1 299.418 3.278 20 0 CGADMP c1c2cccnc2oc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334760070 207031345 /nfs/dbraw/zinc/03/13/45/207031345.db2.gz BENWLJWYQJDOAV-MRXNPFEDSA-N 2 1 299.418 3.278 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000356879438 380916360 /nfs/dbraw/zinc/91/63/60/380916360.db2.gz TVOTWHYWQSDQET-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC3(C2)CCCCC3)CCCO1 ZINC000421393835 380942828 /nfs/dbraw/zinc/94/28/28/380942828.db2.gz PDZAKVZHOXUZGZ-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC3(C2)CCCCC3)CCCO1 ZINC000421393835 380942834 /nfs/dbraw/zinc/94/28/34/380942834.db2.gz PDZAKVZHOXUZGZ-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357068024 381018258 /nfs/dbraw/zinc/01/82/58/381018258.db2.gz FOJHMFWTZMPJKJ-KRWDZBQOSA-N 2 1 290.451 3.096 20 0 CGADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1F ZINC000360176467 381466948 /nfs/dbraw/zinc/46/69/48/381466948.db2.gz BEWFLIQRMWRFFE-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP Cc1occc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334878674 207233541 /nfs/dbraw/zinc/23/35/41/207233541.db2.gz HOLUKUIQGQLWDQ-INIZCTEOSA-N 2 1 262.397 3.038 20 0 CGADMP Cc1occc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334878674 207233546 /nfs/dbraw/zinc/23/35/46/207233546.db2.gz HOLUKUIQGQLWDQ-INIZCTEOSA-N 2 1 262.397 3.038 20 0 CGADMP Cc1sc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)nc1C(C)C ZINC000361344974 381708872 /nfs/dbraw/zinc/70/88/72/381708872.db2.gz HHSNVEVFFCZKHS-MBNYWOFBSA-N 2 1 295.496 3.393 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCSc2ccc(F)cc2)CC1 ZINC000362183114 381900093 /nfs/dbraw/zinc/90/00/93/381900093.db2.gz NUGQAPKWWQBYQE-UHFFFAOYSA-N 2 1 296.455 3.334 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCSc2ccc(F)cc2)CC1 ZINC000362183114 381900098 /nfs/dbraw/zinc/90/00/98/381900098.db2.gz NUGQAPKWWQBYQE-UHFFFAOYSA-N 2 1 296.455 3.334 20 0 CGADMP COCC[N@@H+](CCCCn1ccnc1C)[C@H]1CC[C@H](C)C1 ZINC000362163503 381893739 /nfs/dbraw/zinc/89/37/39/381893739.db2.gz OPJKVOGEJKUNEQ-RDJZCZTQSA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CC[C@H](C)C1 ZINC000362163503 381893744 /nfs/dbraw/zinc/89/37/44/381893744.db2.gz OPJKVOGEJKUNEQ-RDJZCZTQSA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CC[C@H](C)C1 ZINC000362163503 381893749 /nfs/dbraw/zinc/89/37/49/381893749.db2.gz OPJKVOGEJKUNEQ-RDJZCZTQSA-N 2 1 293.455 3.109 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000227403065 542293248 /nfs/dbraw/zinc/29/32/48/542293248.db2.gz RZCSISQHRWKILW-SLEUVZQESA-N 2 1 279.428 3.253 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC000362923036 382148853 /nfs/dbraw/zinc/14/88/53/382148853.db2.gz HXFKIDAILUGVOG-INIZCTEOSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000233049498 542307891 /nfs/dbraw/zinc/30/78/91/542307891.db2.gz SACSZSDFMCJRCT-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000233049498 542307894 /nfs/dbraw/zinc/30/78/94/542307894.db2.gz SACSZSDFMCJRCT-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000368617416 382377596 /nfs/dbraw/zinc/37/75/96/382377596.db2.gz HFXOLXAUQGVAFW-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000251873168 542348746 /nfs/dbraw/zinc/34/87/46/542348746.db2.gz UPAKUWHGMUKPFF-KBRIMQKVSA-N 2 1 258.409 3.123 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412689 542349426 /nfs/dbraw/zinc/34/94/26/542349426.db2.gz ASQRGZWJYMNDCI-DOTOQJQBSA-N 2 1 288.435 3.049 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412689 542349428 /nfs/dbraw/zinc/34/94/28/542349428.db2.gz ASQRGZWJYMNDCI-DOTOQJQBSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417970 542349444 /nfs/dbraw/zinc/34/94/44/542349444.db2.gz TYQQYKCGJCYVPT-QZTJIDSGSA-N 2 1 272.436 3.267 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412678 542349966 /nfs/dbraw/zinc/34/99/66/542349966.db2.gz AQIVOTDAHBWTMS-ZWKOTPCHSA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252722587 542351258 /nfs/dbraw/zinc/35/12/58/542351258.db2.gz QZMCTNBWGRFUAL-DYVFJYSZSA-N 2 1 292.854 3.127 20 0 CGADMP C[NH2+][C@H](C)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423401917 533000432 /nfs/dbraw/zinc/00/04/32/533000432.db2.gz WLRGEVPFUFGVHD-CVEARBPZSA-N 2 1 282.431 3.405 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000156941690 533008210 /nfs/dbraw/zinc/00/82/10/533008210.db2.gz ZUXCGWJNYKSSPO-HNNXBMFYSA-N 2 1 290.451 3.466 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425930515 533057140 /nfs/dbraw/zinc/05/71/40/533057140.db2.gz IMGORZKOPKAGCK-CHWSQXEVSA-N 2 1 266.454 3.257 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000353748263 220301299 /nfs/dbraw/zinc/30/12/99/220301299.db2.gz HDYFZUGDUMIWCA-HOCLYGCPSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000353748263 220301304 /nfs/dbraw/zinc/30/13/04/220301304.db2.gz HDYFZUGDUMIWCA-HOCLYGCPSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000353748263 220301307 /nfs/dbraw/zinc/30/13/07/220301307.db2.gz HDYFZUGDUMIWCA-HOCLYGCPSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000353748263 220301311 /nfs/dbraw/zinc/30/13/11/220301311.db2.gz HDYFZUGDUMIWCA-HOCLYGCPSA-N 2 1 278.415 3.439 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)ccc2[nH]1 ZINC000353816849 220347161 /nfs/dbraw/zinc/34/71/61/220347161.db2.gz MVSQWMHKOFPUPO-BHIYHBOVSA-N 2 1 297.446 3.439 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000300247772 542411818 /nfs/dbraw/zinc/41/18/18/542411818.db2.gz CRIPXJMTEMSDJL-NOLJZWGESA-N 2 1 278.827 3.208 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000479475231 285264534 /nfs/dbraw/zinc/26/45/34/285264534.db2.gz FXAPABGIHSGZCX-BBWFWOEESA-N 2 1 264.457 3.300 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339077074 542486185 /nfs/dbraw/zinc/48/61/85/542486185.db2.gz ZDJQNUFTSHJROB-HOTGVXAUSA-N 2 1 290.476 3.433 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339077074 542486186 /nfs/dbraw/zinc/48/61/86/542486186.db2.gz ZDJQNUFTSHJROB-HOTGVXAUSA-N 2 1 290.476 3.433 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000348278081 542517269 /nfs/dbraw/zinc/51/72/69/542517269.db2.gz SXAFPFYSQJGINT-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348278081 542517272 /nfs/dbraw/zinc/51/72/72/542517272.db2.gz SXAFPFYSQJGINT-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000348278081 542517277 /nfs/dbraw/zinc/51/72/77/542517277.db2.gz SXAFPFYSQJGINT-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000283433856 195858426 /nfs/dbraw/zinc/85/84/26/195858426.db2.gz SPALFMOPIZJHTN-LAQRGFTBSA-N 2 1 272.436 3.110 20 0 CGADMP COCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000368498211 533290517 /nfs/dbraw/zinc/29/05/17/533290517.db2.gz FWIHEZKMLADFRC-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc2ccccc2o1 ZINC000423518914 533384390 /nfs/dbraw/zinc/38/43/90/533384390.db2.gz CSJLVEIKHJTYLT-GFCCVEGCSA-N 2 1 258.365 3.226 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000423476501 533422800 /nfs/dbraw/zinc/42/28/00/533422800.db2.gz LPZZXWCUSDHUKM-OEAJRASXSA-N 2 1 294.389 3.013 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c2ccccc12 ZINC000094692769 533567973 /nfs/dbraw/zinc/56/79/73/533567973.db2.gz QBXFPKHERLDTBX-DYVFJYSZSA-N 2 1 284.403 3.018 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1cccc(-c2ccccc2)c1)C1CC1 ZINC000414902449 542639478 /nfs/dbraw/zinc/63/94/78/542639478.db2.gz YHEPGQSIFVGDHQ-SFHVURJKSA-N 2 1 266.388 3.181 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414975021 542642023 /nfs/dbraw/zinc/64/20/23/542642023.db2.gz FPILHQALYLCZFC-QGZVFWFLSA-N 2 1 254.377 3.181 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CC3)C[C@@H]1c1ccccc1 ZINC000417346430 542644616 /nfs/dbraw/zinc/64/46/16/542644616.db2.gz ZKTVVCMTFVZXDC-IXDOHACOSA-N 2 1 270.420 3.212 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC23CC3)C[C@@H]1c1ccccc1 ZINC000417346430 542644619 /nfs/dbraw/zinc/64/46/19/542644619.db2.gz ZKTVVCMTFVZXDC-IXDOHACOSA-N 2 1 270.420 3.212 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000051919610 392074128 /nfs/dbraw/zinc/07/41/28/392074128.db2.gz ABKSIJKACBKIQV-GOEBONIOSA-N 2 1 250.430 3.031 20 0 CGADMP FC(F)(F)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000069381256 392172704 /nfs/dbraw/zinc/17/27/04/392172704.db2.gz MCHPPSGTTHRZLH-AAEUAGOBSA-N 2 1 290.373 3.324 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000070091446 392176839 /nfs/dbraw/zinc/17/68/39/392176839.db2.gz NSYLCZULNOMBKB-GFCCVEGCSA-N 2 1 264.438 3.334 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000070092010 392176999 /nfs/dbraw/zinc/17/69/99/392176999.db2.gz KWEGKRKOEYKMKT-STQMWFEESA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000070092010 392177001 /nfs/dbraw/zinc/17/70/01/392177001.db2.gz KWEGKRKOEYKMKT-STQMWFEESA-N 2 1 252.427 3.049 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000089607686 392227542 /nfs/dbraw/zinc/22/75/42/392227542.db2.gz IEGQZQJNWAIBJY-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868565 392311881 /nfs/dbraw/zinc/31/18/81/392311881.db2.gz DBUDPVCRGUVLNP-IAGOWNOFSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868565 392311883 /nfs/dbraw/zinc/31/18/83/392311883.db2.gz DBUDPVCRGUVLNP-IAGOWNOFSA-N 2 1 288.435 3.190 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000361763655 392316662 /nfs/dbraw/zinc/31/66/62/392316662.db2.gz ISJLISRUANYDNM-UNEWFSDZSA-N 2 1 276.424 3.219 20 0 CGADMP CCCC[C@@H](CC)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000437783693 542661106 /nfs/dbraw/zinc/66/11/06/542661106.db2.gz IURHBTXWSULCEJ-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC000364347383 392437225 /nfs/dbraw/zinc/43/72/25/392437225.db2.gz CXMNEPPQSDGWOP-GOSISDBHSA-N 2 1 281.403 3.101 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000127821889 392447938 /nfs/dbraw/zinc/44/79/38/392447938.db2.gz XTCMPPAMGBQARI-BPQIPLTHSA-N 2 1 274.452 3.499 20 0 CGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000151950533 392489618 /nfs/dbraw/zinc/48/96/18/392489618.db2.gz OPUKXFNFAHZZBM-INIZCTEOSA-N 2 1 276.424 3.058 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000152374401 392505881 /nfs/dbraw/zinc/50/58/81/392505881.db2.gz QJAWAPGYCKNUDF-AAEUAGOBSA-N 2 1 293.480 3.149 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224814 392602745 /nfs/dbraw/zinc/60/27/45/392602745.db2.gz GUTMZMCBGMCUIY-QAPCUYQASA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000156150100 392546711 /nfs/dbraw/zinc/54/67/11/392546711.db2.gz KKBAOVDVSGDLKW-DJSGYFEHSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000156150100 392546718 /nfs/dbraw/zinc/54/67/18/392546718.db2.gz KKBAOVDVSGDLKW-DJSGYFEHSA-N 2 1 278.827 3.400 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000647325177 392668032 /nfs/dbraw/zinc/66/80/32/392668032.db2.gz YNCHESANVWFUJV-LFDJNIOPSA-N 2 1 284.447 3.253 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000647325828 392669290 /nfs/dbraw/zinc/66/92/90/392669290.db2.gz QOYRPELLGPSYER-DZOHQFGASA-N 2 1 272.436 3.110 20 0 CGADMP CC[C@H](C)[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178955950 392685938 /nfs/dbraw/zinc/68/59/38/392685938.db2.gz VHBWOFJQRANKMT-HNNXBMFYSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284118 392635928 /nfs/dbraw/zinc/63/59/28/392635928.db2.gz CJIPXJLMRATUJG-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284118 392635930 /nfs/dbraw/zinc/63/59/30/392635930.db2.gz CJIPXJLMRATUJG-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP CCC(CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343536 392691988 /nfs/dbraw/zinc/69/19/88/392691988.db2.gz VKTAFQLLRGAITQ-WBVHZDCISA-N 2 1 260.425 3.110 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000372992007 392654422 /nfs/dbraw/zinc/65/44/22/392654422.db2.gz HRLSHMFOIWXXSL-GDBMZVCRSA-N 2 1 276.424 3.172 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479670 392734629 /nfs/dbraw/zinc/73/46/29/392734629.db2.gz PCCXVVPGZIGKLL-NEWSRXKRSA-N 2 1 286.463 3.329 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479312 392735380 /nfs/dbraw/zinc/73/53/80/392735380.db2.gz BXJBYRTYZAOTJK-IEBWSBKVSA-N 2 1 295.430 3.199 20 0 CGADMP CCCOc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482870 392736273 /nfs/dbraw/zinc/73/62/73/392736273.db2.gz FBPUVSAKECLVET-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647482539 392736658 /nfs/dbraw/zinc/73/66/58/392736658.db2.gz NJWJWKYYACIYJR-CYBMUJFWSA-N 2 1 276.399 3.146 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c3ncccc3c2)CC[C@@H]1[NH3+] ZINC000647497310 392740796 /nfs/dbraw/zinc/74/07/96/392740796.db2.gz CKKFORRXLYIRHP-WBVHZDCISA-N 2 1 283.419 3.102 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC(C)C)cc2)CC[C@H]1[NH3+] ZINC000647498340 392743047 /nfs/dbraw/zinc/74/30/47/392743047.db2.gz FOWJELRZKKWESS-FUHWJXTLSA-N 2 1 290.451 3.281 20 0 CGADMP c1cc2cnccc2c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000647500072 392744383 /nfs/dbraw/zinc/74/43/83/392744383.db2.gz YDOGBJNCGGLCRN-UHFFFAOYSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@@H]3C)ccc2n1 ZINC000334834664 392753027 /nfs/dbraw/zinc/75/30/27/392753027.db2.gz YMXSGGTYONRBPY-LIRRHRJNSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@@H]3C)ccc2n1 ZINC000334834664 392753030 /nfs/dbraw/zinc/75/30/30/392753030.db2.gz YMXSGGTYONRBPY-LIRRHRJNSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)ccc2n1 ZINC000334834664 392753034 /nfs/dbraw/zinc/75/30/34/392753034.db2.gz YMXSGGTYONRBPY-LIRRHRJNSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)ccc2n1 ZINC000334834664 392753041 /nfs/dbraw/zinc/75/30/41/392753041.db2.gz YMXSGGTYONRBPY-LIRRHRJNSA-N 2 1 297.446 3.315 20 0 CGADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCCCCC1 ZINC000647534000 392754518 /nfs/dbraw/zinc/75/45/18/392754518.db2.gz DIGKRWDJFCMRCN-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCCCCC1 ZINC000647534000 392754522 /nfs/dbraw/zinc/75/45/22/392754522.db2.gz DIGKRWDJFCMRCN-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC1(C)CC([NH2+]Cc2scnc2C2CC2)CC(C)(C)[NH2+]1 ZINC000486957325 542709303 /nfs/dbraw/zinc/70/93/03/542709303.db2.gz PSKCZSYNDIBJQC-UHFFFAOYSA-N 2 1 293.480 3.419 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000647545689 392762415 /nfs/dbraw/zinc/76/24/15/392762415.db2.gz DVEYZVGNCQIIJX-DLBZAZTESA-N 2 1 284.447 3.386 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647937135 392839823 /nfs/dbraw/zinc/83/98/23/392839823.db2.gz RHHDLCKPPXOYOD-IRXDYDNUSA-N 2 1 290.451 3.132 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779439 392791726 /nfs/dbraw/zinc/79/17/26/392791726.db2.gz WQGKOJWUXWAGPR-GOEBONIOSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779439 392791731 /nfs/dbraw/zinc/79/17/31/392791731.db2.gz WQGKOJWUXWAGPR-GOEBONIOSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779439 392791736 /nfs/dbraw/zinc/79/17/36/392791736.db2.gz WQGKOJWUXWAGPR-GOEBONIOSA-N 2 1 280.481 3.485 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCCO2 ZINC000335567909 392798938 /nfs/dbraw/zinc/79/89/38/392798938.db2.gz HVTQOIHMJUSFCN-QGZVFWFLSA-N 2 1 288.435 3.365 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815246 392808801 /nfs/dbraw/zinc/80/88/01/392808801.db2.gz VTKAICDQKFYSEQ-UHFFFAOYSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815246 392808807 /nfs/dbraw/zinc/80/88/07/392808807.db2.gz VTKAICDQKFYSEQ-UHFFFAOYSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000375791641 392820237 /nfs/dbraw/zinc/82/02/37/392820237.db2.gz YQMUXIZKSYDJIL-UMVBOHGHSA-N 2 1 293.480 3.229 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000375791641 392820247 /nfs/dbraw/zinc/82/02/47/392820247.db2.gz YQMUXIZKSYDJIL-UMVBOHGHSA-N 2 1 293.480 3.229 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647879585 392823337 /nfs/dbraw/zinc/82/33/37/392823337.db2.gz UTSXFRVBPCQZRG-ZDUSSCGKSA-N 2 1 250.430 3.029 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000647889403 392827060 /nfs/dbraw/zinc/82/70/60/392827060.db2.gz NIOBKUWNPXBZRT-HZPDHXFCSA-N 2 1 282.497 3.126 20 0 CGADMP CC[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1[NH3+] ZINC000381011754 392905805 /nfs/dbraw/zinc/90/58/05/392905805.db2.gz MBQIWYOSDHFNNQ-HUUCEWRRSA-N 2 1 252.446 3.262 20 0 CGADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647995366 392860418 /nfs/dbraw/zinc/86/04/18/392860418.db2.gz RQHZLKWRTBWZAB-ARFHVFGLSA-N 2 1 264.457 3.134 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000392826185 392931791 /nfs/dbraw/zinc/93/17/91/392931791.db2.gz WTUFYUQFIDIWCR-VNHYZAJKSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000401493073 392951170 /nfs/dbraw/zinc/95/11/70/392951170.db2.gz ZQVHQUFSFWMRHN-CVEARBPZSA-N 2 1 250.430 3.054 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000459778234 392955701 /nfs/dbraw/zinc/95/57/01/392955701.db2.gz KTEBDMSWAPBGMK-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000535266243 542750642 /nfs/dbraw/zinc/75/06/42/542750642.db2.gz QSIRVXQBIQAEDV-IBGZPJMESA-N 2 1 289.382 3.255 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340186683 392966166 /nfs/dbraw/zinc/96/61/66/392966166.db2.gz MYSSCLPTLZVYQV-MOPGFXCFSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340186683 392966175 /nfs/dbraw/zinc/96/61/75/392966175.db2.gz MYSSCLPTLZVYQV-MOPGFXCFSA-N 2 1 295.430 3.315 20 0 CGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340396795 392971872 /nfs/dbraw/zinc/97/18/72/392971872.db2.gz WSUCYTJQXHBWDY-DLBZAZTESA-N 2 1 290.451 3.084 20 0 CGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340396795 392971878 /nfs/dbraw/zinc/97/18/78/392971878.db2.gz WSUCYTJQXHBWDY-DLBZAZTESA-N 2 1 290.451 3.084 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000648452038 393023810 /nfs/dbraw/zinc/02/38/10/393023810.db2.gz BSKHNFPOQUKHMQ-GOEBONIOSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415040586 393108649 /nfs/dbraw/zinc/10/86/49/393108649.db2.gz KGQQIHGDVZIGAT-ZWKOTPCHSA-N 2 1 272.436 3.267 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415002468 393087657 /nfs/dbraw/zinc/08/76/57/393087657.db2.gz NLMIVNSVSTXBSS-CVEARBPZSA-N 2 1 296.405 3.232 20 0 CGADMP Clc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415032353 393105163 /nfs/dbraw/zinc/10/51/63/393105163.db2.gz AEIGHYLJCVRCDE-DGCLKSJQSA-N 2 1 284.856 3.366 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415032353 393105169 /nfs/dbraw/zinc/10/51/69/393105169.db2.gz AEIGHYLJCVRCDE-DGCLKSJQSA-N 2 1 284.856 3.366 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000245547220 393042774 /nfs/dbraw/zinc/04/27/74/393042774.db2.gz XGUYGCYPRBEGMD-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000245547220 393042782 /nfs/dbraw/zinc/04/27/82/393042782.db2.gz XGUYGCYPRBEGMD-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000245547220 393042786 /nfs/dbraw/zinc/04/27/86/393042786.db2.gz XGUYGCYPRBEGMD-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC000414743833 393054542 /nfs/dbraw/zinc/05/45/42/393054542.db2.gz PFPABLDNAZMDJO-GJZGRUSLSA-N 2 1 272.436 3.168 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414951694 393061111 /nfs/dbraw/zinc/06/11/11/393061111.db2.gz PYRJVZDEPZLSFK-YPMHNXCESA-N 2 1 266.816 3.133 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[NH2+]1 ZINC000414954577 393062427 /nfs/dbraw/zinc/06/24/27/393062427.db2.gz STFCTGAWULPBEL-CMPLNLGQSA-N 2 1 293.461 3.102 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414972162 393072677 /nfs/dbraw/zinc/07/26/77/393072677.db2.gz ACLVNLSRXOIAOX-ZDUSSCGKSA-N 2 1 260.406 3.242 20 0 CGADMP CCc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)s1 ZINC000547406077 393112071 /nfs/dbraw/zinc/11/20/71/393112071.db2.gz REMLWTBEBGTWJU-UHFFFAOYSA-N 2 1 266.454 3.228 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)s1 ZINC000547406077 393112076 /nfs/dbraw/zinc/11/20/76/393112076.db2.gz REMLWTBEBGTWJU-UHFFFAOYSA-N 2 1 266.454 3.228 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000415049348 393112568 /nfs/dbraw/zinc/11/25/68/393112568.db2.gz XZGTUKVTTBLURY-INIZCTEOSA-N 2 1 260.425 3.083 20 0 CGADMP Cc1cc(Br)ccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415054214 393117087 /nfs/dbraw/zinc/11/70/87/393117087.db2.gz LKTKXEWAPFUPTR-CYBMUJFWSA-N 2 1 299.256 3.221 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H](C)C1 ZINC000251772337 393120125 /nfs/dbraw/zinc/12/01/25/393120125.db2.gz FCUKNCHNSWTLBF-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415066038 393126867 /nfs/dbraw/zinc/12/68/67/393126867.db2.gz IMPFJXXMWAVZSJ-DZGCQCFKSA-N 2 1 278.465 3.071 20 0 CGADMP c1csc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415087058 393138799 /nfs/dbraw/zinc/13/87/99/393138799.db2.gz SZGBIIWQVZHPDL-RDJZCZTQSA-N 2 1 286.444 3.374 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000415107294 393147234 /nfs/dbraw/zinc/14/72/34/393147234.db2.gz NPQNBYFTPNMTFH-MRXNPFEDSA-N 2 1 292.467 3.326 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)c(C)s1 ZINC000415126713 393152657 /nfs/dbraw/zinc/15/26/57/393152657.db2.gz UYODWUJLKHEDHO-WCQYABFASA-N 2 1 254.443 3.389 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1nccc2ccccc21 ZINC000353423022 393220958 /nfs/dbraw/zinc/22/09/58/393220958.db2.gz CKXWNJCFKVJCCJ-LSDHHAIUSA-N 2 1 295.430 3.370 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC000646243207 393246339 /nfs/dbraw/zinc/24/63/39/393246339.db2.gz GIBTXPXTEMKAQH-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC000646243207 393246348 /nfs/dbraw/zinc/24/63/48/393246348.db2.gz GIBTXPXTEMKAQH-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC000646243207 393246353 /nfs/dbraw/zinc/24/63/53/393246353.db2.gz GIBTXPXTEMKAQH-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC000646243207 393246358 /nfs/dbraw/zinc/24/63/58/393246358.db2.gz GIBTXPXTEMKAQH-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)CCCO2 ZINC000423382292 292010386 /nfs/dbraw/zinc/01/03/86/292010386.db2.gz OVCOJJRIGYHOKS-BFYDXBDKSA-N 2 1 288.435 3.247 20 0 CGADMP Cc1ccoc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355277867 393286862 /nfs/dbraw/zinc/28/68/62/393286862.db2.gz IWSGGSZQKIPYER-ROUUACIJSA-N 2 1 296.414 3.152 20 0 CGADMP Fc1ccccc1C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000647237290 393404324 /nfs/dbraw/zinc/40/43/24/393404324.db2.gz PDHMASDQXAOSIF-HUUCEWRRSA-N 2 1 288.410 3.421 20 0 CGADMP Fc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000647237290 393404328 /nfs/dbraw/zinc/40/43/28/393404328.db2.gz PDHMASDQXAOSIF-HUUCEWRRSA-N 2 1 288.410 3.421 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420298658 393453298 /nfs/dbraw/zinc/45/32/98/393453298.db2.gz FNLSPNZSKKKARA-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP C(C[N@@H+](CC1CCCCC1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000420299100 393453498 /nfs/dbraw/zinc/45/34/98/393453498.db2.gz GGNMYLONHGSCGA-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000420299841 393455501 /nfs/dbraw/zinc/45/55/01/393455501.db2.gz JNLRBXFXLWAXDF-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000420299838 393456162 /nfs/dbraw/zinc/45/61/62/393456162.db2.gz JNLRBXFXLWAXDF-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP c1c2c(oc1-c1ccccc1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420303840 393457396 /nfs/dbraw/zinc/45/73/96/393457396.db2.gz NQRZLSVJIJCOJL-HNNXBMFYSA-N 2 1 296.414 3.304 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420311426 393458922 /nfs/dbraw/zinc/45/89/22/393458922.db2.gz HBVLPPMTQVBABH-OCCSQVGLSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420309382 393459356 /nfs/dbraw/zinc/45/93/56/393459356.db2.gz SZWIWRUXYPQYKV-FUHWJXTLSA-N 2 1 272.436 3.002 20 0 CGADMP CCC1CCC([N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000420319295 393463824 /nfs/dbraw/zinc/46/38/24/393463824.db2.gz PDDMKUAZRHGHAR-PCKAHOCUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000420318080 393463878 /nfs/dbraw/zinc/46/38/78/393463878.db2.gz VPZNQHFLXQTSBU-HNNXBMFYSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000420318080 393463882 /nfs/dbraw/zinc/46/38/82/393463882.db2.gz VPZNQHFLXQTSBU-HNNXBMFYSA-N 2 1 296.842 3.313 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420319890 393466026 /nfs/dbraw/zinc/46/60/26/393466026.db2.gz AVSHYOOFICFEPL-ROUUACIJSA-N 2 1 272.436 3.071 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429008628 393466628 /nfs/dbraw/zinc/46/66/28/393466628.db2.gz XYURDFAHQQXMNN-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429008628 393466634 /nfs/dbraw/zinc/46/66/34/393466634.db2.gz XYURDFAHQQXMNN-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429008628 393466639 /nfs/dbraw/zinc/46/66/39/393466639.db2.gz XYURDFAHQQXMNN-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420322828 393466707 /nfs/dbraw/zinc/46/67/07/393466707.db2.gz SNHRMHFCVMOOJI-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP Clc1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420325004 393467275 /nfs/dbraw/zinc/46/72/75/393467275.db2.gz VXLKZTIYTVSEFE-ZDUSSCGKSA-N 2 1 278.827 3.304 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328667 393467345 /nfs/dbraw/zinc/46/73/45/393467345.db2.gz MRPZCTATSDNPPI-RCCFBDPRSA-N 2 1 272.436 3.459 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334238 393470389 /nfs/dbraw/zinc/47/03/89/393470389.db2.gz UASLQVUTELOOCP-JKSUJKDBSA-N 2 1 294.389 3.446 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420359886 393474354 /nfs/dbraw/zinc/47/43/54/393474354.db2.gz LARCKQNDCAUYNQ-HKUYNNGSSA-N 2 1 286.463 3.348 20 0 CGADMP Clc1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420373744 393477866 /nfs/dbraw/zinc/47/78/66/393477866.db2.gz MYQBZBHKDWLOKJ-UHFFFAOYSA-N 2 1 278.827 3.088 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000359220115 393541182 /nfs/dbraw/zinc/54/11/82/393541182.db2.gz NJUYZEFICQWUQC-HNNXBMFYSA-N 2 1 260.425 3.378 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000488336130 393489569 /nfs/dbraw/zinc/48/95/69/393489569.db2.gz ZGFROTFDDVDVQZ-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430127225 393526587 /nfs/dbraw/zinc/52/65/87/393526587.db2.gz OVLOUQLIRTYYSN-RTBURBONSA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430127225 393526590 /nfs/dbraw/zinc/52/65/90/393526590.db2.gz OVLOUQLIRTYYSN-RTBURBONSA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430127225 393526592 /nfs/dbraw/zinc/52/65/92/393526592.db2.gz OVLOUQLIRTYYSN-RTBURBONSA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000430574857 393578241 /nfs/dbraw/zinc/57/82/41/393578241.db2.gz UOSIVLUKCKOFIZ-INIZCTEOSA-N 2 1 291.826 3.351 20 0 CGADMP C[C@](C[NH3+])([NH2+]CCCc1cccc2ccccc21)C1CC1 ZINC000430587217 393578045 /nfs/dbraw/zinc/57/80/45/393578045.db2.gz VKNYXAYHIZUXOA-LJQANCHMSA-N 2 1 282.431 3.489 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC23CCOCC3)([NH+](C)C)C1 ZINC000370024025 296494136 /nfs/dbraw/zinc/49/41/36/296494136.db2.gz ZQHMBWOLUBOXLG-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000666801091 542817060 /nfs/dbraw/zinc/81/70/60/542817060.db2.gz OVZOBCPKUUZFLX-RDJZCZTQSA-N 2 1 288.435 3.050 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[NH2+]1 ZINC000666873220 542823193 /nfs/dbraw/zinc/82/31/93/542823193.db2.gz HRFREWWNUVYRMV-YPMHNXCESA-N 2 1 289.810 3.118 20 0 CGADMP CC1([NH2+]Cc2c(Cl)ccc3cccnc32)CC[NH2+]CC1 ZINC000666881363 542823279 /nfs/dbraw/zinc/82/32/79/542823279.db2.gz BGAVTLOEPGHWHG-UHFFFAOYSA-N 2 1 289.810 3.120 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCOC1CCCCCC1)CC[NH2+]CC2 ZINC000424302464 393680713 /nfs/dbraw/zinc/68/07/13/393680713.db2.gz ZOLMIVGODZUZEX-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(C)c1F ZINC000424370954 393682333 /nfs/dbraw/zinc/68/23/33/393682333.db2.gz FJAAJOZIAIFGSA-BPLDGKMQSA-N 2 1 264.388 3.363 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ccccc2)C1 ZINC000433079238 393682945 /nfs/dbraw/zinc/68/29/45/393682945.db2.gz YUPOBIWXRWWJQM-MSOLQXFVSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433079238 393682951 /nfs/dbraw/zinc/68/29/51/393682951.db2.gz YUPOBIWXRWWJQM-MSOLQXFVSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433079238 393682954 /nfs/dbraw/zinc/68/29/54/393682954.db2.gz YUPOBIWXRWWJQM-MSOLQXFVSA-N 2 1 272.436 3.350 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423098523 393650291 /nfs/dbraw/zinc/65/02/91/393650291.db2.gz SCKYMISBTJEKHS-YLFCFFPRSA-N 2 1 282.472 3.090 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423066444 393650409 /nfs/dbraw/zinc/65/04/09/393650409.db2.gz DPCJKWFUXDQGLA-ARFHVFGLSA-N 2 1 274.408 3.068 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CCC2 ZINC000423134118 393651752 /nfs/dbraw/zinc/65/17/52/393651752.db2.gz WNNRAAVPWPFUFD-JQFCIGGWSA-N 2 1 258.409 3.103 20 0 CGADMP C[C@@H]([NH2+]CCC1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000432856933 393653678 /nfs/dbraw/zinc/65/36/78/393653678.db2.gz BZRKZRUOJMTSNM-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000490799191 393656177 /nfs/dbraw/zinc/65/61/77/393656177.db2.gz UNGVHHZJZXUGLE-KRWDZBQOSA-N 2 1 286.463 3.387 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000423469337 393669387 /nfs/dbraw/zinc/66/93/87/393669387.db2.gz OUJZNCKNFSHDSV-GBIKHYSHSA-N 2 1 297.240 3.324 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423474587 393670034 /nfs/dbraw/zinc/67/00/34/393670034.db2.gz RKWFJSVBUFDIPR-QMTHXVAHSA-N 2 1 297.240 3.153 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C(C)(C)C)CCCC2)CC1 ZINC000361218528 393704223 /nfs/dbraw/zinc/70/42/23/393704223.db2.gz ZNSQZPJHQVDTBG-OAHLLOKOSA-N 2 1 296.499 3.434 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C(C)C)CCCC2)CC1 ZINC000361221565 393704808 /nfs/dbraw/zinc/70/48/08/393704808.db2.gz UKEJUTWHHHHRDS-HNNXBMFYSA-N 2 1 282.472 3.044 20 0 CGADMP CC1(C)CC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000433300391 393709303 /nfs/dbraw/zinc/70/93/03/393709303.db2.gz DMUQKANCQNHQMI-AWEZNQCLSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000433300391 393709305 /nfs/dbraw/zinc/70/93/05/393709305.db2.gz DMUQKANCQNHQMI-AWEZNQCLSA-N 2 1 250.430 3.029 20 0 CGADMP CCSCC[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437349821 393718924 /nfs/dbraw/zinc/71/89/24/393718924.db2.gz UJEZHFPNSNDSMR-OAHLLOKOSA-N 2 1 270.486 3.126 20 0 CGADMP CCSCC[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437349821 393718930 /nfs/dbraw/zinc/71/89/30/393718930.db2.gz UJEZHFPNSNDSMR-OAHLLOKOSA-N 2 1 270.486 3.126 20 0 CGADMP CCCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498895971 393786325 /nfs/dbraw/zinc/78/63/25/393786325.db2.gz YFUWSMLYVIHXEY-GOSISDBHSA-N 2 1 296.499 3.247 20 0 CGADMP CCCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498895971 393786329 /nfs/dbraw/zinc/78/63/29/393786329.db2.gz YFUWSMLYVIHXEY-GOSISDBHSA-N 2 1 296.499 3.247 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1c(F)cccc1Cl ZINC000499909272 393810978 /nfs/dbraw/zinc/81/09/78/393810978.db2.gz QLZVSISJBVHKCY-UHFFFAOYSA-N 2 1 298.833 3.439 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1c(F)cccc1Cl ZINC000499909272 393810985 /nfs/dbraw/zinc/81/09/85/393810985.db2.gz QLZVSISJBVHKCY-UHFFFAOYSA-N 2 1 298.833 3.439 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000502284699 393872185 /nfs/dbraw/zinc/87/21/85/393872185.db2.gz HMMJFCLBJSLZOG-YYIAUSFCSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000502299618 393872924 /nfs/dbraw/zinc/87/29/24/393872924.db2.gz IVJKKIHQQGOBIW-MJBXVCDLSA-N 2 1 274.399 3.132 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000502719700 393883253 /nfs/dbraw/zinc/88/32/53/393883253.db2.gz FIISUZQXGPILJQ-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000502719700 393883257 /nfs/dbraw/zinc/88/32/57/393883257.db2.gz FIISUZQXGPILJQ-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999445 542834525 /nfs/dbraw/zinc/83/45/25/542834525.db2.gz JAYBHOXJVMKXLX-INIZCTEOSA-N 2 1 288.435 3.238 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cnc3n2CCC3)cc1 ZINC000667462819 542870545 /nfs/dbraw/zinc/87/05/45/542870545.db2.gz VTFVJHFWLGVYCM-QGZVFWFLSA-N 2 1 297.402 3.175 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC3)[C@H]3CCC[C@H]32)cc1 ZINC000453075862 394161928 /nfs/dbraw/zinc/16/19/28/394161928.db2.gz IRDDSWNSXGXCFE-CEXWTWQISA-N 2 1 284.447 3.429 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)C1CCC1 ZINC000453102885 394171334 /nfs/dbraw/zinc/17/13/34/394171334.db2.gz VXKQERQOPQGNNM-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCc2ccccc2CC1 ZINC000453114567 394175946 /nfs/dbraw/zinc/17/59/46/394175946.db2.gz WBMSVBJIKHRKIL-HNNXBMFYSA-N 2 1 297.446 3.365 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453394412 394230663 /nfs/dbraw/zinc/23/06/63/394230663.db2.gz IYICBBZXXVNMJH-IJEWVQPXSA-N 2 1 264.457 3.275 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453396877 394231837 /nfs/dbraw/zinc/23/18/37/394231837.db2.gz IXWYIZCEYIELQZ-LBPRGKRZSA-N 2 1 282.453 3.282 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453404713 394235087 /nfs/dbraw/zinc/23/50/87/394235087.db2.gz BQBRUTHMDHHCGQ-KBUPBQIOSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1coc2ccccc12)C1CC1 ZINC000453596473 394253253 /nfs/dbraw/zinc/25/32/53/394253253.db2.gz LKRUUOHROMEKEI-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000453595028 394253298 /nfs/dbraw/zinc/25/32/98/394253298.db2.gz JVJDVPYAUQSADV-YFHOEESVSA-N 2 1 258.409 3.164 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1sccc1Cl)C1CC1 ZINC000453601662 394254632 /nfs/dbraw/zinc/25/46/32/394254632.db2.gz VBPIAYCAAUUAFT-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc21 ZINC000667667710 542912182 /nfs/dbraw/zinc/91/21/82/542912182.db2.gz UIAIOROVPAFTAJ-GOEBONIOSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc21 ZINC000667667710 542912184 /nfs/dbraw/zinc/91/21/84/542912184.db2.gz UIAIOROVPAFTAJ-GOEBONIOSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc21 ZINC000667667710 542912186 /nfs/dbraw/zinc/91/21/86/542912186.db2.gz UIAIOROVPAFTAJ-GOEBONIOSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc21 ZINC000667667710 542912188 /nfs/dbraw/zinc/91/21/88/542912188.db2.gz UIAIOROVPAFTAJ-GOEBONIOSA-N 2 1 285.435 3.391 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cnc(C)n1C)[C@@H]2C ZINC000667963040 542950773 /nfs/dbraw/zinc/95/07/73/542950773.db2.gz AERFQOJNNBAKJS-QWHCGFSZSA-N 2 1 299.418 3.245 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)N(Cc1cnc(C)n1C)[C@@H]2C ZINC000667963040 542950775 /nfs/dbraw/zinc/95/07/75/542950775.db2.gz AERFQOJNNBAKJS-QWHCGFSZSA-N 2 1 299.418 3.245 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)[nH]c2c1 ZINC000668063694 542964638 /nfs/dbraw/zinc/96/46/38/542964638.db2.gz SGUQKPDZTCJTQP-QGZVFWFLSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)[nH]c2c1 ZINC000668063694 542964640 /nfs/dbraw/zinc/96/46/40/542964640.db2.gz SGUQKPDZTCJTQP-QGZVFWFLSA-N 2 1 285.435 3.392 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000668275791 543001343 /nfs/dbraw/zinc/00/13/43/543001343.db2.gz CEUSYBJLAAZBCK-GFEQUFNTSA-N 2 1 284.447 3.110 20 0 CGADMP C([NH2+]C1CC2(CCC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820597 543066177 /nfs/dbraw/zinc/06/61/77/543066177.db2.gz WXTFUXCMJDKSKN-OAHLLOKOSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000668818172 543066673 /nfs/dbraw/zinc/06/66/73/543066673.db2.gz FRGNQVWAPOQULU-GOEBONIOSA-N 2 1 266.473 3.380 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c(C)c1 ZINC000453260328 292090126 /nfs/dbraw/zinc/09/01/26/292090126.db2.gz XTWANPHYRCVMKF-IRXDYDNUSA-N 2 1 286.463 3.407 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916123 397609881 /nfs/dbraw/zinc/60/98/81/397609881.db2.gz VEYINDIBUCEWJN-WBVHZDCISA-N 2 1 284.403 3.397 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334361849 397682348 /nfs/dbraw/zinc/68/23/48/397682348.db2.gz CFHZETRZBUMNSC-DOMZBBRYSA-N 2 1 274.433 3.331 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334361849 397682352 /nfs/dbraw/zinc/68/23/52/397682352.db2.gz CFHZETRZBUMNSC-DOMZBBRYSA-N 2 1 274.433 3.331 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c3ccccc23)CC[C@H]1[NH3+] ZINC000387515891 397690418 /nfs/dbraw/zinc/69/04/18/397690418.db2.gz OVJNUUUDAUHQGX-KBXCAEBGSA-N 2 1 298.430 3.408 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC2(C1)CCCCC2 ZINC000388882600 397690965 /nfs/dbraw/zinc/69/09/65/397690965.db2.gz JMLRIDCXYGANFM-UHFFFAOYSA-N 2 1 264.457 3.422 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC2CCC1CC2 ZINC000392260347 397692818 /nfs/dbraw/zinc/69/28/18/397692818.db2.gz PSSNDIWDQFQIPL-DXCHVLGVSA-N 2 1 262.441 3.053 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000491065904 397708673 /nfs/dbraw/zinc/70/86/73/397708673.db2.gz MQSYFEISFYZLFK-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCc2ccccc21 ZINC000649835598 397734148 /nfs/dbraw/zinc/73/41/48/397734148.db2.gz MEIGJGQCSKKMFL-DOTOQJQBSA-N 2 1 272.436 3.133 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCc2ccccc21 ZINC000649835598 397734150 /nfs/dbraw/zinc/73/41/50/397734150.db2.gz MEIGJGQCSKKMFL-DOTOQJQBSA-N 2 1 272.436 3.133 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCc2ccccc21 ZINC000649835598 397734155 /nfs/dbraw/zinc/73/41/55/397734155.db2.gz MEIGJGQCSKKMFL-DOTOQJQBSA-N 2 1 272.436 3.133 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)CCOC)C1CCCCC1 ZINC000650131423 397789099 /nfs/dbraw/zinc/78/90/99/397789099.db2.gz MQEFBQGXVCJEGQ-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000650708566 397898164 /nfs/dbraw/zinc/89/81/64/397898164.db2.gz DUCJOBVMOSQUGJ-DISONHOPSA-N 2 1 294.483 3.031 20 0 CGADMP CC[N@@H+](CCCN[C@H](C)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710474 397898466 /nfs/dbraw/zinc/89/84/66/397898466.db2.gz PQRLEBPBLGHUEB-SJORKVTESA-N 2 1 295.515 3.151 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccsc1Cl ZINC000650720224 397901982 /nfs/dbraw/zinc/90/19/82/397901982.db2.gz IXDPDMGBSMDANE-UHFFFAOYSA-N 2 1 280.824 3.411 20 0 CGADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCCC1 ZINC000674717179 543294745 /nfs/dbraw/zinc/29/47/45/543294745.db2.gz LPNXBOAAISIRAL-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000676044906 543379564 /nfs/dbraw/zinc/37/95/64/543379564.db2.gz HQJWMTOEMUEKGU-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1C2CC3CC(C2)CC1C3 ZINC000677237956 543440854 /nfs/dbraw/zinc/44/08/54/543440854.db2.gz RYIRXXFVSYPSMZ-AVGKFFPGSA-N 2 1 288.479 3.275 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677128919 543434193 /nfs/dbraw/zinc/43/41/93/543434193.db2.gz BQSMIKQKCDCOAU-INIZCTEOSA-N 2 1 282.378 3.272 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677128919 543434195 /nfs/dbraw/zinc/43/41/95/543434195.db2.gz BQSMIKQKCDCOAU-INIZCTEOSA-N 2 1 282.378 3.272 20 0 CGADMP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000677152301 543436725 /nfs/dbraw/zinc/43/67/25/543436725.db2.gz BZFUKXARQARUJP-AWEZNQCLSA-N 2 1 269.392 3.074 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2C2CC2)CC1 ZINC000678131528 543485669 /nfs/dbraw/zinc/48/56/69/543485669.db2.gz CHYOPMRMVJIFOS-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2C2CC2)CC1 ZINC000678131528 543485670 /nfs/dbraw/zinc/48/56/70/543485670.db2.gz CHYOPMRMVJIFOS-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C2CCCC2)CC1 ZINC000678079033 543481781 /nfs/dbraw/zinc/48/17/81/543481781.db2.gz MSZWDMKWGVFQDX-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000678604346 543542480 /nfs/dbraw/zinc/54/24/80/543542480.db2.gz IKUDQHQKMFKBJC-ROUUACIJSA-N 2 1 286.463 3.371 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000678766264 543554074 /nfs/dbraw/zinc/55/40/74/543554074.db2.gz NKRSWEAAGGKLRU-CLCXKQKWSA-N 2 1 284.447 3.384 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554049840 289253543 /nfs/dbraw/zinc/25/35/43/289253543.db2.gz CVSCYVGOVUIRAY-JKSUJKDBSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554049840 289253546 /nfs/dbraw/zinc/25/35/46/289253546.db2.gz CVSCYVGOVUIRAY-JKSUJKDBSA-N 2 1 250.430 3.029 20 0 CGADMP CCO[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000459419272 286199870 /nfs/dbraw/zinc/19/98/70/286199870.db2.gz DWVNKKZVMDPLPT-SFHVURJKSA-N 2 1 294.483 3.188 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C12CCCC2 ZINC000479473718 286494008 /nfs/dbraw/zinc/49/40/08/286494008.db2.gz XJCPVUGTFLRTMO-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000093513482 286891676 /nfs/dbraw/zinc/89/16/76/286891676.db2.gz UNFUORBGLBSMGW-ROUUACIJSA-N 3 1 295.515 3.009 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCSCC1 ZINC000187258207 287014325 /nfs/dbraw/zinc/01/43/25/287014325.db2.gz GJDVERKZNUYPJI-OHRKKDJYSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCSCC1 ZINC000187258207 287014328 /nfs/dbraw/zinc/01/43/28/287014328.db2.gz GJDVERKZNUYPJI-OHRKKDJYSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000246939954 287022876 /nfs/dbraw/zinc/02/28/76/287022876.db2.gz HPFRONQENDRDMN-LSDHHAIUSA-N 2 1 264.413 3.442 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1N(C)C ZINC000178414118 287023838 /nfs/dbraw/zinc/02/38/38/287023838.db2.gz XXKPNHXRSBDYRF-CQSZACIVSA-N 2 1 293.430 3.028 20 0 CGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CCSCC1 ZINC000474601310 287026945 /nfs/dbraw/zinc/02/69/45/287026945.db2.gz QQLCWABSMJDUGC-CQSZACIVSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CCSCC1 ZINC000474601310 287026946 /nfs/dbraw/zinc/02/69/46/287026946.db2.gz QQLCWABSMJDUGC-CQSZACIVSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557746 165166210 /nfs/dbraw/zinc/16/62/10/165166210.db2.gz YEIBIFAHOFJZOO-QGZVFWFLSA-N 2 1 281.403 3.467 20 0 CGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccccc23)CC[N@H+]1C ZINC000090795313 165243186 /nfs/dbraw/zinc/24/31/86/165243186.db2.gz RJRILGRNQPLCEA-STQMWFEESA-N 2 1 255.365 3.129 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000430721978 287107762 /nfs/dbraw/zinc/10/77/62/287107762.db2.gz MARGYFVMDHGALN-QMHWVQJVSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000430721978 287107765 /nfs/dbraw/zinc/10/77/65/287107765.db2.gz MARGYFVMDHGALN-QMHWVQJVSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522096 165351886 /nfs/dbraw/zinc/35/18/86/165351886.db2.gz OWUUQOGHPLSPLT-CXAGYDPISA-N 2 1 258.409 3.266 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522096 165351888 /nfs/dbraw/zinc/35/18/88/165351888.db2.gz OWUUQOGHPLSPLT-CXAGYDPISA-N 2 1 258.409 3.266 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000093683589 287118663 /nfs/dbraw/zinc/11/86/63/287118663.db2.gz LZUXGLMTPBBCGS-QGZVFWFLSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000093683589 287118664 /nfs/dbraw/zinc/11/86/64/287118664.db2.gz LZUXGLMTPBBCGS-QGZVFWFLSA-N 2 1 290.426 3.442 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccoc1)C[NH+]1CCCCC1 ZINC000094869105 287123304 /nfs/dbraw/zinc/12/33/04/287123304.db2.gz MLUFDKQVLZSEFP-KGLIPLIRSA-N 2 1 250.386 3.052 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccoc1 ZINC000094869106 287123379 /nfs/dbraw/zinc/12/33/79/287123379.db2.gz MLUFDKQVLZSEFP-UONOGXRCSA-N 2 1 250.386 3.052 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCCC[C@@H]1C ZINC000120055508 287177337 /nfs/dbraw/zinc/17/73/37/287177337.db2.gz FCNXCBOZAWYROV-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCCC[C@@H]1C ZINC000120055508 287177338 /nfs/dbraw/zinc/17/73/38/287177338.db2.gz FCNXCBOZAWYROV-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000300131747 287218999 /nfs/dbraw/zinc/21/89/99/287218999.db2.gz FSDGKRUKJQJXBV-APIJFGDWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000300131747 287219001 /nfs/dbraw/zinc/21/90/01/287219001.db2.gz FSDGKRUKJQJXBV-APIJFGDWSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](OC)c2ccccc2)CC1 ZINC000284335367 196032598 /nfs/dbraw/zinc/03/25/98/196032598.db2.gz JAAITBVRYMQCKU-GOSISDBHSA-N 2 1 290.451 3.180 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](OC)c2ccccc2)CC1 ZINC000284335367 196032599 /nfs/dbraw/zinc/03/25/99/196032599.db2.gz JAAITBVRYMQCKU-GOSISDBHSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000284434865 196054044 /nfs/dbraw/zinc/05/40/44/196054044.db2.gz ROANHSOSWQQPBK-GOSISDBHSA-N 2 1 283.419 3.111 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000020129101 171017504 /nfs/dbraw/zinc/01/75/04/171017504.db2.gz DTGWVBRCASWTEI-OAHLLOKOSA-N 2 1 276.424 3.140 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000020189696 171055383 /nfs/dbraw/zinc/05/53/83/171055383.db2.gz KTRJSPWSBNAFPG-LBPRGKRZSA-N 2 1 252.427 3.273 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000020593548 171262990 /nfs/dbraw/zinc/26/29/90/171262990.db2.gz QYFSZKANRZJEQV-KRWDZBQOSA-N 2 1 258.409 3.213 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129211090 287268319 /nfs/dbraw/zinc/26/83/19/287268319.db2.gz SLMXBDVIKALVSP-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP c1cc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)ccc2o1 ZINC000285489293 196301283 /nfs/dbraw/zinc/30/12/83/196301283.db2.gz PEOUPDFADIXUHG-AWEZNQCLSA-N 2 1 270.376 3.007 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000285510747 196308927 /nfs/dbraw/zinc/30/89/27/196308927.db2.gz QXEGDKOLFYABFQ-HNNXBMFYSA-N 2 1 272.392 3.254 20 0 CGADMP CCc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285608527 196342218 /nfs/dbraw/zinc/34/22/18/196342218.db2.gz VTKVOQFGMFSTRR-JWTNVVGKSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285608527 196342220 /nfs/dbraw/zinc/34/22/20/196342220.db2.gz VTKVOQFGMFSTRR-JWTNVVGKSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285608527 196342221 /nfs/dbraw/zinc/34/22/21/196342221.db2.gz VTKVOQFGMFSTRR-JWTNVVGKSA-N 2 1 272.436 3.306 20 0 CGADMP C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000285627222 196349141 /nfs/dbraw/zinc/34/91/41/196349141.db2.gz WVVIMTBWFXUJPI-NAZJXLNTSA-N 2 1 272.436 3.347 20 0 CGADMP C[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000285627222 196349142 /nfs/dbraw/zinc/34/91/42/196349142.db2.gz WVVIMTBWFXUJPI-NAZJXLNTSA-N 2 1 272.436 3.347 20 0 CGADMP C[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000285627222 196349143 /nfs/dbraw/zinc/34/91/43/196349143.db2.gz WVVIMTBWFXUJPI-NAZJXLNTSA-N 2 1 272.436 3.347 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000037236695 173054561 /nfs/dbraw/zinc/05/45/61/173054561.db2.gz MEORPGJTZGGJBF-UHFFFAOYSA-N 2 1 290.451 3.436 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CSC)cc2)[C@@H](C)C1 ZINC000285714286 196375243 /nfs/dbraw/zinc/37/52/43/196375243.db2.gz PTKLPTBSWOFVQI-WMLDXEAASA-N 2 1 292.492 3.370 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000037515636 173247190 /nfs/dbraw/zinc/24/71/90/173247190.db2.gz CVJGXNVUGGTELL-HNNXBMFYSA-N 2 1 272.436 3.082 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccs1 ZINC000038098003 174112565 /nfs/dbraw/zinc/11/25/65/174112565.db2.gz MRRPIRUQYIAOKM-ZDUSSCGKSA-N 2 1 252.427 3.273 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000040500787 174296856 /nfs/dbraw/zinc/29/68/56/174296856.db2.gz IYEMBUVSIQVYQI-SJLPKXTDSA-N 2 1 286.463 3.390 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000128554841 287313451 /nfs/dbraw/zinc/31/34/51/287313451.db2.gz OTKYAYZAHSSALJ-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccccc1C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953034 416478372 /nfs/dbraw/zinc/47/83/72/416478372.db2.gz DQCBXTBEXVCEHE-UHFFFAOYSA-N 2 1 260.425 3.207 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000314971084 416538061 /nfs/dbraw/zinc/53/80/61/416538061.db2.gz WMUGFRUKJJEVSC-GJZGRUSLSA-N 2 1 298.352 3.266 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000314971084 416538065 /nfs/dbraw/zinc/53/80/65/416538065.db2.gz WMUGFRUKJJEVSC-GJZGRUSLSA-N 2 1 298.352 3.266 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402968133 416548526 /nfs/dbraw/zinc/54/85/26/416548526.db2.gz ZDHWPKFXGXNKRO-XEZPLFJOSA-N 2 1 278.827 3.462 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)[C@H]1CC[NH3+] ZINC000404297978 416551424 /nfs/dbraw/zinc/55/14/24/416551424.db2.gz YBKBYMUQMSSUFV-JSGCOSHPSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)[C@H]1CC[NH3+] ZINC000404297978 416551427 /nfs/dbraw/zinc/55/14/27/416551427.db2.gz YBKBYMUQMSSUFV-JSGCOSHPSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)[C@H]1CC[NH3+] ZINC000404330066 416552061 /nfs/dbraw/zinc/55/20/61/416552061.db2.gz YLUOAALQVXZPRI-WFASDCNBSA-N 2 1 298.377 3.237 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000404437953 416555399 /nfs/dbraw/zinc/55/53/99/416555399.db2.gz SHSPPOSRBLSNGX-KSSFIOAISA-N 2 1 299.418 3.291 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122342099 416504082 /nfs/dbraw/zinc/50/40/82/416504082.db2.gz KFXWQGUIBADLOB-KCXAZCMYSA-N 2 1 264.388 3.336 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000122387155 416504108 /nfs/dbraw/zinc/50/41/08/416504108.db2.gz UPAKUWHGMUKPFF-XOKHGSTOSA-N 2 1 258.409 3.123 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000130232185 287347949 /nfs/dbraw/zinc/34/79/49/287347949.db2.gz KHXYCHDRPJHGRW-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)CCCCO ZINC000679333283 543620421 /nfs/dbraw/zinc/62/04/21/543620421.db2.gz UCYZDRHWMYYDRR-MRXNPFEDSA-N 2 1 292.467 3.168 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000682074602 543822504 /nfs/dbraw/zinc/82/25/04/543822504.db2.gz QELBEPRLCHVQHT-VQIMIIECSA-N 2 1 284.447 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc(C)cc1 ZINC000130907207 287366128 /nfs/dbraw/zinc/36/61/28/287366128.db2.gz YOFCKIQRKVBXDZ-UHFFFAOYSA-N 2 1 271.408 3.065 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc(C)cc1 ZINC000130907207 287366130 /nfs/dbraw/zinc/36/61/30/287366130.db2.gz YOFCKIQRKVBXDZ-UHFFFAOYSA-N 2 1 271.408 3.065 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000366974409 226052011 /nfs/dbraw/zinc/05/20/11/226052011.db2.gz RGNKHJFSIOTSSK-NXOAAHMSSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000366974409 226052018 /nfs/dbraw/zinc/05/20/18/226052018.db2.gz RGNKHJFSIOTSSK-NXOAAHMSSA-N 2 1 272.436 3.313 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683110207 543895032 /nfs/dbraw/zinc/89/50/32/543895032.db2.gz NXACEYLSSLFWPS-KBAYOESNSA-N 2 1 272.436 3.144 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684768075 544028065 /nfs/dbraw/zinc/02/80/65/544028065.db2.gz GLEBKXRBSCFVHO-KBAYOESNSA-N 2 1 294.483 3.331 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000684958202 544045419 /nfs/dbraw/zinc/04/54/19/544045419.db2.gz VLOGBYCSKSHNLM-SFHVURJKSA-N 2 1 299.462 3.456 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000684958201 544045639 /nfs/dbraw/zinc/04/56/39/544045639.db2.gz VLOGBYCSKSHNLM-GOSISDBHSA-N 2 1 299.462 3.456 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000192932845 227395988 /nfs/dbraw/zinc/39/59/88/227395988.db2.gz MMUOFLRZRAWJCF-HKUYNNGSSA-N 2 1 284.447 3.454 20 0 CGADMP CC[N@H+](CCC[NH2+][C@H](C)c1cn[nH]c1)C1CCCCC1 ZINC000652237807 418940891 /nfs/dbraw/zinc/94/08/91/418940891.db2.gz FQUIFOZYDNLKJI-CQSZACIVSA-N 2 1 278.444 3.105 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1cn[nH]c1)C1CCCCC1 ZINC000652237807 418940893 /nfs/dbraw/zinc/94/08/93/418940893.db2.gz FQUIFOZYDNLKJI-CQSZACIVSA-N 2 1 278.444 3.105 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000652352634 418955564 /nfs/dbraw/zinc/95/55/64/418955564.db2.gz GRTBQPJPNIBVAL-QGTPRVQTSA-N 2 1 288.410 3.264 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352177 418955850 /nfs/dbraw/zinc/95/58/50/418955850.db2.gz OQZASZFWTXQZRU-ZLIFDBKOSA-N 2 1 294.389 3.477 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352177 418955853 /nfs/dbraw/zinc/95/58/53/418955853.db2.gz OQZASZFWTXQZRU-ZLIFDBKOSA-N 2 1 294.389 3.477 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000652352802 418955921 /nfs/dbraw/zinc/95/59/21/418955921.db2.gz YHIGAKLZITZNKV-VUCTXSBTSA-N 2 1 290.838 3.388 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCC2CCCC2)C1 ZINC000652362302 418958224 /nfs/dbraw/zinc/95/82/24/418958224.db2.gz DIMDTPFXSYPUSF-FGTMMUONSA-N 2 1 294.483 3.318 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659928252 419035575 /nfs/dbraw/zinc/03/55/75/419035575.db2.gz KLODGTFTKPBKOT-ZACQAIPSSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659928252 419035577 /nfs/dbraw/zinc/03/55/77/419035577.db2.gz KLODGTFTKPBKOT-ZACQAIPSSA-N 2 1 294.483 3.140 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000659943311 419039594 /nfs/dbraw/zinc/03/95/94/419039594.db2.gz ATXFIZMELSGDHF-QYZOEREBSA-N 2 1 284.447 3.493 20 0 CGADMP CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCCCC1 ZINC000655738953 419083203 /nfs/dbraw/zinc/08/32/03/419083203.db2.gz RNHKROBFPBTIBW-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCc2ccccc21 ZINC000653778930 419084599 /nfs/dbraw/zinc/08/45/99/419084599.db2.gz JFVIBHQXMJROAC-HNNXBMFYSA-N 2 1 283.419 3.015 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCc2ccccc21 ZINC000653778930 419084604 /nfs/dbraw/zinc/08/46/04/419084604.db2.gz JFVIBHQXMJROAC-HNNXBMFYSA-N 2 1 283.419 3.015 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(F)c1 ZINC000665246610 419090238 /nfs/dbraw/zinc/09/02/38/419090238.db2.gz JOWITASVKGXKDG-AWEZNQCLSA-N 2 1 250.361 3.138 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665248728 419092568 /nfs/dbraw/zinc/09/25/68/419092568.db2.gz BFAGIHACTUJFJT-ZDUSSCGKSA-N 2 1 262.397 3.007 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253469 419094511 /nfs/dbraw/zinc/09/45/11/419094511.db2.gz RLNHQFGKTDOQIV-WBQNTZJQSA-N 2 1 276.399 3.049 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000665275388 419099843 /nfs/dbraw/zinc/09/98/43/419099843.db2.gz JOUPVPORECILMN-UHFFFAOYSA-N 2 1 282.378 3.194 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCC(F)(F)CC1 ZINC000653872088 419100097 /nfs/dbraw/zinc/10/00/97/419100097.db2.gz OPHPXUNNXUFQBP-JSGCOSHPSA-N 2 1 274.399 3.274 20 0 CGADMP CC1(C)C[C@]1(C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000665275410 419100274 /nfs/dbraw/zinc/10/02/74/419100274.db2.gz KCOOIUYIIAJWEU-VYDXJSESSA-N 2 1 258.409 3.258 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280281 419100839 /nfs/dbraw/zinc/10/08/39/419100839.db2.gz XVBAGBJTTVFUTA-JDCHQWLXSA-N 2 1 270.420 3.213 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000665295217 419109660 /nfs/dbraw/zinc/10/96/60/419109660.db2.gz AJCHOIVOEQBGAM-HOTGVXAUSA-N 2 1 282.431 3.405 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000665298714 419110315 /nfs/dbraw/zinc/11/03/15/419110315.db2.gz ZZLVKDKODVHYDH-RYUDHWBXSA-N 2 1 288.357 3.224 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000665298657 419110709 /nfs/dbraw/zinc/11/07/09/419110709.db2.gz ZLWQQWSGNIICRX-KBPBESRZSA-N 2 1 287.451 3.422 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000653598130 419058140 /nfs/dbraw/zinc/05/81/40/419058140.db2.gz NJDIBNZQZBFZLT-AWEZNQCLSA-N 2 1 287.407 3.102 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CS1 ZINC000655695355 419067126 /nfs/dbraw/zinc/06/71/26/419067126.db2.gz KFVCPQNQACNFPW-WBVHZDCISA-N 2 1 292.492 3.382 20 0 CGADMP C1=CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445933 419145631 /nfs/dbraw/zinc/14/56/31/419145631.db2.gz CPWCBLQKFJMBAT-KDURUIRLSA-N 2 1 282.431 3.016 20 0 CGADMP C1=CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445933 419145635 /nfs/dbraw/zinc/14/56/35/419145635.db2.gz CPWCBLQKFJMBAT-KDURUIRLSA-N 2 1 282.431 3.016 20 0 CGADMP C1=CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445933 419145637 /nfs/dbraw/zinc/14/56/37/419145637.db2.gz CPWCBLQKFJMBAT-KDURUIRLSA-N 2 1 282.431 3.016 20 0 CGADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2nccn2C)c1 ZINC000656371795 419167910 /nfs/dbraw/zinc/16/79/10/419167910.db2.gz VHPVFMNJBUWCFR-CYBMUJFWSA-N 2 1 255.365 3.071 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654486 419176414 /nfs/dbraw/zinc/17/64/14/419176414.db2.gz GMDGDEUZOHETNY-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654486 419176418 /nfs/dbraw/zinc/17/64/18/419176418.db2.gz GMDGDEUZOHETNY-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654486 419176420 /nfs/dbraw/zinc/17/64/20/419176420.db2.gz GMDGDEUZOHETNY-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654486 419176422 /nfs/dbraw/zinc/17/64/22/419176422.db2.gz GMDGDEUZOHETNY-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660658139 419177126 /nfs/dbraw/zinc/17/71/26/419177126.db2.gz CQTNMJLTQFMIPP-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660658139 419177130 /nfs/dbraw/zinc/17/71/30/419177130.db2.gz CQTNMJLTQFMIPP-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660658139 419177134 /nfs/dbraw/zinc/17/71/34/419177134.db2.gz CQTNMJLTQFMIPP-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660658139 419177136 /nfs/dbraw/zinc/17/71/36/419177136.db2.gz CQTNMJLTQFMIPP-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP CCc1ccc(CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660660945 419177163 /nfs/dbraw/zinc/17/71/63/419177163.db2.gz XQRNKGGHWVXFGN-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000656617951 419187266 /nfs/dbraw/zinc/18/72/66/419187266.db2.gz UFGXKPPJRPDEIT-WLYUNCDWSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)[C@@H]1CC1(C)C ZINC000666086366 419188749 /nfs/dbraw/zinc/18/87/49/419188749.db2.gz FIWMARKGQFBRKP-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657315718 419248242 /nfs/dbraw/zinc/24/82/42/419248242.db2.gz RRPNEYZKBAFPNB-ODIFPOPNSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661691334 419285956 /nfs/dbraw/zinc/28/59/56/419285956.db2.gz UNQSBIPBMQIHNS-HNNXBMFYSA-N 2 1 267.392 3.043 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CCF)C1 ZINC000661691334 419285959 /nfs/dbraw/zinc/28/59/59/419285959.db2.gz UNQSBIPBMQIHNS-HNNXBMFYSA-N 2 1 267.392 3.043 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC/C=C\c1ccc(F)cc1 ZINC000657523093 419298164 /nfs/dbraw/zinc/29/81/64/419298164.db2.gz DFOHAVFTZKZCQE-YIEVGGLXSA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC/C=C\c1ccc(F)cc1 ZINC000657523093 419298166 /nfs/dbraw/zinc/29/81/66/419298166.db2.gz DFOHAVFTZKZCQE-YIEVGGLXSA-N 2 1 276.399 3.301 20 0 CGADMP CC(CC[NH+]1CC[C@@H]2C[C@@H]2C1)CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968529 419316958 /nfs/dbraw/zinc/31/69/58/419316958.db2.gz YKQKVXIHYGVHSZ-BRSBDYLESA-N 2 1 276.468 3.086 20 0 CGADMP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1(F)F ZINC000657667738 419324235 /nfs/dbraw/zinc/32/42/35/419324235.db2.gz BSRUHADUPLXOKA-INIZCTEOSA-N 2 1 294.389 3.286 20 0 CGADMP COc1cccc(C2([NH2+]CC[C@@H]3CCC[N@H+]3C)CCC2)c1 ZINC000662109025 419336294 /nfs/dbraw/zinc/33/62/94/419336294.db2.gz DTEWZCCWIWZLPE-INIZCTEOSA-N 2 1 288.435 3.148 20 0 CGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000662161614 419349332 /nfs/dbraw/zinc/34/93/32/419349332.db2.gz URTJJBKDEPMLET-ZWKOTPCHSA-N 2 1 295.515 3.056 20 0 CGADMP Fc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000662309602 419387693 /nfs/dbraw/zinc/38/76/93/419387693.db2.gz AZDNDUZMKMVAOQ-HNNXBMFYSA-N 2 1 290.426 3.427 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662316572 419389786 /nfs/dbraw/zinc/38/97/86/419389786.db2.gz VVHMFYTZVJODRA-KBAYOESNSA-N 2 1 290.451 3.214 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000662314866 419390670 /nfs/dbraw/zinc/39/06/70/419390670.db2.gz PYABJMBVBWHXEP-ROUUACIJSA-N 2 1 294.483 3.047 20 0 CGADMP Fc1ccccc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CC1 ZINC000662310684 419390744 /nfs/dbraw/zinc/39/07/44/419390744.db2.gz MIVKGULGGFNEEY-AWEZNQCLSA-N 2 1 276.399 3.037 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC000662238706 419369303 /nfs/dbraw/zinc/36/93/03/419369303.db2.gz UQAFBSICJVTYMA-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC000662238707 419370174 /nfs/dbraw/zinc/37/01/74/419370174.db2.gz UQAFBSICJVTYMA-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245035 419371513 /nfs/dbraw/zinc/37/15/13/419371513.db2.gz HJGOEPOWQSSWBN-JFIYKMOQSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662266418 419376174 /nfs/dbraw/zinc/37/61/74/419376174.db2.gz YHLAXCLGRXQWPP-HIFRSBDPSA-N 2 1 260.425 3.153 20 0 CGADMP COC1([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000657830158 419377519 /nfs/dbraw/zinc/37/75/19/419377519.db2.gz MHWVAVHEQULVEB-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000657838175 419382012 /nfs/dbraw/zinc/38/20/12/419382012.db2.gz OHNIELMLVQTHMG-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277263 419382716 /nfs/dbraw/zinc/38/27/16/419382716.db2.gz OJWCNSFFQLABQJ-HKUYNNGSSA-N 2 1 284.447 3.182 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662284839 419384202 /nfs/dbraw/zinc/38/42/02/419384202.db2.gz PXCXZXVXTNXVJC-XJKSGUPXSA-N 2 1 260.425 3.296 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295595 419385298 /nfs/dbraw/zinc/38/52/98/419385298.db2.gz VPKHYKPPXRBLRC-CQSZACIVSA-N 2 1 292.389 3.431 20 0 CGADMP CC1(C)CCCC[C@@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662284290 419385364 /nfs/dbraw/zinc/38/53/64/419385364.db2.gz UWYRASKCAODHAY-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1COC2(CCC2)C1)C1CCCCC1 ZINC000658044038 419521244 /nfs/dbraw/zinc/52/12/44/419521244.db2.gz VOFRAGNQMSEKAP-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658075922 419545039 /nfs/dbraw/zinc/54/50/39/419545039.db2.gz BWAVHQLZGPVYAR-KBRIMQKVSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658075922 419545053 /nfs/dbraw/zinc/54/50/53/419545053.db2.gz BWAVHQLZGPVYAR-KBRIMQKVSA-N 2 1 278.415 3.219 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658089683 419561818 /nfs/dbraw/zinc/56/18/18/419561818.db2.gz AAELFNAYBOTYLY-AWEZNQCLSA-N 2 1 290.426 3.282 20 0 CGADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344118 419568977 /nfs/dbraw/zinc/56/89/77/419568977.db2.gz OKUKPXZSNQZUST-OAHLLOKOSA-N 2 1 299.418 3.039 20 0 CGADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344118 419568990 /nfs/dbraw/zinc/56/89/90/419568990.db2.gz OKUKPXZSNQZUST-OAHLLOKOSA-N 2 1 299.418 3.039 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H](C)C1 ZINC000663480097 419633746 /nfs/dbraw/zinc/63/37/46/419633746.db2.gz XQLFZUFYGASLKO-NEPJUHHUSA-N 2 1 280.378 3.285 20 0 CGADMP Cc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346375 419570331 /nfs/dbraw/zinc/57/03/31/419570331.db2.gz MDEPCGFGQJKJEP-QGZVFWFLSA-N 2 1 272.436 3.207 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000663356272 419575607 /nfs/dbraw/zinc/57/56/07/419575607.db2.gz HSLDEMONDOHYFQ-VXGBXAGGSA-N 2 1 278.362 3.181 20 0 CGADMP C[C@@H](CNc1[nH+]ccc2[nH]ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000663389957 419585936 /nfs/dbraw/zinc/58/59/36/419585936.db2.gz ZZKYWDPIWPAMBW-OLZOCXBDSA-N 2 1 272.396 3.095 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccncc1 ZINC000663466135 419615569 /nfs/dbraw/zinc/61/55/69/419615569.db2.gz OMCBRCQUDHRLFB-WMZOPIPTSA-N 2 1 287.451 3.244 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663466248 419616932 /nfs/dbraw/zinc/61/69/32/419616932.db2.gz PXIHHCFJUUHLDB-RDJZCZTQSA-N 2 1 287.451 3.163 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H]2CCC[C@@H]21 ZINC000658264244 419718400 /nfs/dbraw/zinc/71/84/00/419718400.db2.gz DRVSCQTXFVDTGT-OEMZWJQQSA-N 2 1 298.421 3.417 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422718090 292644551 /nfs/dbraw/zinc/64/45/51/292644551.db2.gz WMIJQYSXUDHTGU-OIISXLGYSA-N 2 1 260.425 3.422 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180207232 260095634 /nfs/dbraw/zinc/09/56/34/260095634.db2.gz IHXHRUHGGTYSER-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000180207232 260095635 /nfs/dbraw/zinc/09/56/35/260095635.db2.gz IHXHRUHGGTYSER-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000075760873 260166142 /nfs/dbraw/zinc/16/61/42/260166142.db2.gz CSGFKKIDDUNBOB-UHFFFAOYSA-N 2 1 264.388 3.036 20 0 CGADMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCCC1 ZINC000089558079 260187929 /nfs/dbraw/zinc/18/79/29/260187929.db2.gz MINKHHJUEXBWJP-HZPDHXFCSA-N 2 1 250.430 3.173 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCCC1 ZINC000089558079 260187930 /nfs/dbraw/zinc/18/79/30/260187930.db2.gz MINKHHJUEXBWJP-HZPDHXFCSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394527035 261383067 /nfs/dbraw/zinc/38/30/67/261383067.db2.gz GCORARDQFLQHBF-HOCLYGCPSA-N 2 1 252.446 3.406 20 0 CGADMP FC1(F)CCCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000390601561 262226997 /nfs/dbraw/zinc/22/69/97/262226997.db2.gz UQEILNSCEDNMJK-GFCCVEGCSA-N 2 1 272.383 3.028 20 0 CGADMP CC(C)CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000391959472 265035148 /nfs/dbraw/zinc/03/51/48/265035148.db2.gz YDWLWLWBTZCLDO-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000044534099 270036763 /nfs/dbraw/zinc/03/67/63/270036763.db2.gz GRKNFSAQTWKHHY-KGLIPLIRSA-N 2 1 272.392 3.425 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000044534099 270036765 /nfs/dbraw/zinc/03/67/65/270036765.db2.gz GRKNFSAQTWKHHY-KGLIPLIRSA-N 2 1 272.392 3.425 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182816081 270054497 /nfs/dbraw/zinc/05/44/97/270054497.db2.gz HPXRAJRAPDBQDM-KRWDZBQOSA-N 2 1 292.442 3.422 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)c1 ZINC000187130365 270067969 /nfs/dbraw/zinc/06/79/69/270067969.db2.gz JXZICKKXCMRUKU-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000187119597 270068016 /nfs/dbraw/zinc/06/80/16/270068016.db2.gz LNIWJCPZISMVTO-QGZVFWFLSA-N 2 1 272.436 3.213 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)C1 ZINC000250265629 270091229 /nfs/dbraw/zinc/09/12/29/270091229.db2.gz KKSIDTPCRZONFU-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCC12CCCC2 ZINC000328313306 270095334 /nfs/dbraw/zinc/09/53/34/270095334.db2.gz XIKFJUFXUHKGAV-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(C)C)CC[N@H+]1C ZINC000527919007 270143833 /nfs/dbraw/zinc/14/38/33/270143833.db2.gz QIDRCHORCKSZCP-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000528427416 270165112 /nfs/dbraw/zinc/16/51/12/270165112.db2.gz YSZQASORLABZGQ-WBVHZDCISA-N 2 1 276.468 3.371 20 0 CGADMP CC1(C)CC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000528427416 270165113 /nfs/dbraw/zinc/16/51/13/270165113.db2.gz YSZQASORLABZGQ-WBVHZDCISA-N 2 1 276.468 3.371 20 0 CGADMP CC1(C)CC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000528427416 270165114 /nfs/dbraw/zinc/16/51/14/270165114.db2.gz YSZQASORLABZGQ-WBVHZDCISA-N 2 1 276.468 3.371 20 0 CGADMP C/C(Cl)=C\C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000528386481 270163213 /nfs/dbraw/zinc/16/32/13/270163213.db2.gz IPMWDBNYZGHSHD-CYIWUNGXSA-N 2 1 279.815 3.266 20 0 CGADMP C/C(Cl)=C\C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000528386481 270163214 /nfs/dbraw/zinc/16/32/14/270163214.db2.gz IPMWDBNYZGHSHD-CYIWUNGXSA-N 2 1 279.815 3.266 20 0 CGADMP Fc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nc1 ZINC000529544538 270183474 /nfs/dbraw/zinc/18/34/74/270183474.db2.gz PKGCCFMNDORMIQ-UHFFFAOYSA-N 2 1 299.393 3.106 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C(C)C)cc1 ZINC000530214205 270195904 /nfs/dbraw/zinc/19/59/04/270195904.db2.gz CEIWAVDBQZJBRZ-DLBZAZTESA-N 2 1 288.435 3.267 20 0 CGADMP CC[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000532205406 270214169 /nfs/dbraw/zinc/21/41/69/270214169.db2.gz RYDVAUXSDAMJDA-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000532205406 270214170 /nfs/dbraw/zinc/21/41/70/270214170.db2.gz RYDVAUXSDAMJDA-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)[C@H](C)[NH3+] ZINC000423452421 274262180 /nfs/dbraw/zinc/26/21/80/274262180.db2.gz WGOYLGSEUJSCEX-RBZYPMLTSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)[C@@H](C)C[NH2+]1 ZINC000033635622 274365998 /nfs/dbraw/zinc/36/59/98/274365998.db2.gz XUTWPKJOWFCPRF-MNOVXSKESA-N 2 1 275.783 3.075 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000423329637 274961192 /nfs/dbraw/zinc/96/11/92/274961192.db2.gz TVNFXZOTCDJEAL-CHWSQXEVSA-N 2 1 282.840 3.204 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000186957769 275672225 /nfs/dbraw/zinc/67/22/25/275672225.db2.gz RDVGHZQLPVRACE-LJQANCHMSA-N 2 1 286.463 3.470 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC/C=C\c2ccccc2)C1 ZINC000450472565 276074430 /nfs/dbraw/zinc/07/44/30/276074430.db2.gz LTPNHLBILLPFSA-RLGIIYIFSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450472565 276074431 /nfs/dbraw/zinc/07/44/31/276074431.db2.gz LTPNHLBILLPFSA-RLGIIYIFSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450472565 276074432 /nfs/dbraw/zinc/07/44/32/276074432.db2.gz LTPNHLBILLPFSA-RLGIIYIFSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450449601 276106247 /nfs/dbraw/zinc/10/62/47/276106247.db2.gz FPBZOKNYBDPWLH-GJZGRUSLSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000261560313 276254899 /nfs/dbraw/zinc/25/48/99/276254899.db2.gz FGGTXWPPFNSXDG-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C12CCC2 ZINC000422783230 276355418 /nfs/dbraw/zinc/35/54/18/276355418.db2.gz NVQWUFYPLHEMHD-LTIDMASMSA-N 2 1 286.419 3.069 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424210430 276892550 /nfs/dbraw/zinc/89/25/50/276892550.db2.gz VYHQUGXDWLKVPR-GOEBONIOSA-N 2 1 273.424 3.206 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccc(C(C)C)cc1 ZINC000414662906 277028395 /nfs/dbraw/zinc/02/83/95/277028395.db2.gz QSDVWTNFEZTAGD-KRWDZBQOSA-N 2 1 260.425 3.036 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccc(C(C)C)cc1 ZINC000414662906 277028398 /nfs/dbraw/zinc/02/83/98/277028398.db2.gz QSDVWTNFEZTAGD-KRWDZBQOSA-N 2 1 260.425 3.036 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000435875102 277267291 /nfs/dbraw/zinc/26/72/91/277267291.db2.gz BDPVMYPFIIUIEY-UHFFFAOYSA-N 2 1 268.404 3.395 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415130986 277267442 /nfs/dbraw/zinc/26/74/42/277267442.db2.gz YGJRYTPREZFDOC-IAGOWNOFSA-N 2 1 260.425 3.038 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000481306561 277778061 /nfs/dbraw/zinc/77/80/61/277778061.db2.gz INUAQRHBLXECFL-JYJNAYRXSA-N 2 1 252.446 3.131 20 0 CGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000335782567 277943389 /nfs/dbraw/zinc/94/33/89/277943389.db2.gz WNQBWMHYHVPLJN-QGZVFWFLSA-N 2 1 288.435 3.101 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395143213 288006461 /nfs/dbraw/zinc/00/64/61/288006461.db2.gz ISIRASCOVJJMRA-ZBFHGGJFSA-N 2 1 252.446 3.406 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000397637631 288026011 /nfs/dbraw/zinc/02/60/11/288026011.db2.gz QCONEZODXKJTSK-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086061 278337165 /nfs/dbraw/zinc/33/71/65/278337165.db2.gz VVSGEMHFNWTVBZ-KLHDSHLOSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000086675278 278348922 /nfs/dbraw/zinc/34/89/22/278348922.db2.gz KDUUBJXOYSIOLG-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCOC1 ZINC000481041921 288036512 /nfs/dbraw/zinc/03/65/12/288036512.db2.gz BJHQRXQFCNOFAD-NCOADZHNSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119738683 279014497 /nfs/dbraw/zinc/01/44/97/279014497.db2.gz ZQIYLFMUIWGBGM-XIKOKIGWSA-N 2 1 288.410 3.275 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCO1 ZINC000375887868 279059899 /nfs/dbraw/zinc/05/98/99/279059899.db2.gz JZIWYSAFPKCNSS-ZKXLYKBJSA-N 2 1 294.483 3.043 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459745039 288100659 /nfs/dbraw/zinc/10/06/59/288100659.db2.gz YKBRUUKSQYBNRL-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000187672288 279093072 /nfs/dbraw/zinc/09/30/72/279093072.db2.gz PFADYXUAPLXVOV-HNNXBMFYSA-N 2 1 295.496 3.493 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000187672288 279093073 /nfs/dbraw/zinc/09/30/73/279093073.db2.gz PFADYXUAPLXVOV-HNNXBMFYSA-N 2 1 295.496 3.493 20 0 CGADMP CC(C)C[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000302320141 279096617 /nfs/dbraw/zinc/09/66/17/279096617.db2.gz JOKSHRSDHPYKNC-HNSVSWJLSA-N 2 1 252.446 3.274 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000350262406 279110917 /nfs/dbraw/zinc/11/09/17/279110917.db2.gz ZGSKZJAWWHDRHV-WMZOPIPTSA-N 2 1 290.451 3.180 20 0 CGADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516651663 279128396 /nfs/dbraw/zinc/12/83/96/279128396.db2.gz CIUQODMAUNBSIG-CYBMUJFWSA-N 2 1 276.399 3.135 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423216947 279293257 /nfs/dbraw/zinc/29/32/57/279293257.db2.gz SRWSQTRBYDWWPJ-WFASDCNBSA-N 2 1 294.826 3.143 20 0 CGADMP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448073605 279346272 /nfs/dbraw/zinc/34/62/72/279346272.db2.gz DOCJSYXJGLEHRW-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000448073605 279346275 /nfs/dbraw/zinc/34/62/75/279346275.db2.gz DOCJSYXJGLEHRW-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[N@@H+]1CCCC[C@H]1C ZINC000343274130 279346867 /nfs/dbraw/zinc/34/68/67/279346867.db2.gz BZHMYRVOUUIOFP-BZUAXINKSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[N@H+]1CCCC[C@H]1C ZINC000343274130 279346869 /nfs/dbraw/zinc/34/68/69/279346869.db2.gz BZHMYRVOUUIOFP-BZUAXINKSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)C[NH+](C)C ZINC000293265517 279349158 /nfs/dbraw/zinc/34/91/58/279349158.db2.gz CDICZTGOADYBNT-GDBMZVCRSA-N 2 1 288.435 3.220 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000300411504 279355433 /nfs/dbraw/zinc/35/54/33/279355433.db2.gz NQYZOFQTPZRAEU-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415103948 279380249 /nfs/dbraw/zinc/38/02/49/279380249.db2.gz DGRKJXYUZFKLOA-FMKPAKJESA-N 2 1 278.415 3.077 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423470251 280166770 /nfs/dbraw/zinc/16/67/70/280166770.db2.gz PCAIMMAYYZTFGW-NVXWUHKLSA-N 2 1 288.435 3.106 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791422 280173157 /nfs/dbraw/zinc/17/31/57/280173157.db2.gz QWIOJNCBCYLEQV-AITUJVMLSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791422 280173161 /nfs/dbraw/zinc/17/31/61/280173161.db2.gz QWIOJNCBCYLEQV-AITUJVMLSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000414775946 280173761 /nfs/dbraw/zinc/17/37/61/280173761.db2.gz WHWWLILXAHWVOE-CAMMJAKZSA-N 2 1 284.447 3.038 20 0 CGADMP Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000261957415 281004789 /nfs/dbraw/zinc/00/47/89/281004789.db2.gz OUQLTMVZDFHWMS-QAPCUYQASA-N 2 1 272.436 3.172 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339070465 281059536 /nfs/dbraw/zinc/05/95/36/281059536.db2.gz YLMBBPOTQCBGGM-JZXOWHBKSA-N 2 1 270.420 3.199 20 0 CGADMP CC[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000401566841 281067690 /nfs/dbraw/zinc/06/76/90/281067690.db2.gz BPWGJWXKNJXJOK-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+]CC1CCc2ccccc2CC1)c1c[nH+]ccc1N ZINC000530212144 288300401 /nfs/dbraw/zinc/30/04/01/288300401.db2.gz OXBIJJQXYNWKIH-AWEZNQCLSA-N 2 1 295.430 3.340 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1(CC)CC ZINC000531995274 288349250 /nfs/dbraw/zinc/34/92/50/288349250.db2.gz LZDGOGJYLCQPPE-BPKGMFCQSA-N 2 1 296.499 3.289 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCC[C@H]3C[C@H]31)C2 ZINC000549035032 289032612 /nfs/dbraw/zinc/03/26/12/289032612.db2.gz QDJQXAFRHKAIIK-UHOSZYNNSA-N 2 1 284.447 3.213 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCC[C@H]3C[C@H]31)C2 ZINC000549035032 289032613 /nfs/dbraw/zinc/03/26/13/289032613.db2.gz QDJQXAFRHKAIIK-UHOSZYNNSA-N 2 1 284.447 3.213 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000552033594 289151932 /nfs/dbraw/zinc/15/19/32/289151932.db2.gz KHHWBQRBHWPAON-IXDOHACOSA-N 2 1 292.854 3.345 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554048911 289253083 /nfs/dbraw/zinc/25/30/83/289253083.db2.gz DYWAZFWSXYFKLF-IAGOWNOFSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376194 289278703 /nfs/dbraw/zinc/27/87/03/289278703.db2.gz IVGCDTFPXBVXHM-OEAJRASXSA-N 2 1 294.389 3.140 20 0 CGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313343695 290222652 /nfs/dbraw/zinc/22/26/52/290222652.db2.gz OXBLZRSJUCQHGJ-RHSMWYFYSA-N 2 1 290.451 3.095 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423102563 295296998 /nfs/dbraw/zinc/29/69/98/295296998.db2.gz XBECHPDLMGHZTL-KZNAEPCWSA-N 2 1 293.499 3.033 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000216207404 297250378 /nfs/dbraw/zinc/25/03/78/297250378.db2.gz AQWPKSZSLSIWQI-MNOVXSKESA-N 2 1 275.783 3.062 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435898 302118676 /nfs/dbraw/zinc/11/86/76/302118676.db2.gz GKBFOROOKTULAH-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339435898 302118678 /nfs/dbraw/zinc/11/86/78/302118678.db2.gz GKBFOROOKTULAH-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339435898 302118681 /nfs/dbraw/zinc/11/86/81/302118681.db2.gz GKBFOROOKTULAH-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422718093 302199624 /nfs/dbraw/zinc/19/96/24/302199624.db2.gz WMIJQYSXUDHTGU-USXIJHARSA-N 2 1 260.425 3.422 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)oc21 ZINC000401776148 321969333 /nfs/dbraw/zinc/96/93/33/321969333.db2.gz MXZBNDMXYUVRBS-GFCCVEGCSA-N 2 1 299.374 3.068 20 0 CGADMP F[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000564570585 322034861 /nfs/dbraw/zinc/03/48/61/322034861.db2.gz IQRLBJGKSUNRCE-QZWWFDLISA-N 2 1 276.399 3.350 20 0 CGADMP C[C@H](CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000564798741 322043329 /nfs/dbraw/zinc/04/33/29/322043329.db2.gz QTLLJDUJNDXMHF-NVXWUHKLSA-N 2 1 292.492 3.334 20 0 CGADMP CC(C)C[C@H](C)C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000565331510 322073730 /nfs/dbraw/zinc/07/37/30/322073730.db2.gz ITDLHHVBTZQCKQ-INIZCTEOSA-N 2 1 284.488 3.148 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)CC1 ZINC000565435396 322078011 /nfs/dbraw/zinc/07/80/11/322078011.db2.gz VEARPTPRDZOOPD-HZPDHXFCSA-N 2 1 250.430 3.291 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000565834119 322093297 /nfs/dbraw/zinc/09/32/97/322093297.db2.gz YCKZDESGDMVMLH-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1c[nH+]ccc1N ZINC000566088726 322103754 /nfs/dbraw/zinc/10/37/54/322103754.db2.gz CRGMNPIDXWALEI-JCKWVBRZSA-N 2 1 297.402 3.065 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000566229891 322110515 /nfs/dbraw/zinc/11/05/15/322110515.db2.gz RIWHLXUTNBRFGW-RKDXNWHRSA-N 2 1 278.293 3.060 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ncc(C)cc2C)C[C@@H]1C ZINC000566794359 322138331 /nfs/dbraw/zinc/13/83/31/322138331.db2.gz ZXDWZBHGHRVUFF-IRXDYDNUSA-N 2 1 289.467 3.046 20 0 CGADMP C[C@H]1Cc2[nH+]cn(C[C@H]3CC[C@H](C[NH3+])CC3)c2C[C@@H]1C ZINC000567808687 322178651 /nfs/dbraw/zinc/17/86/51/322178651.db2.gz ZEONAOTUDMYINU-AJNGGQMLSA-N 2 1 275.440 3.019 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)[C@@H]2CCC[C@H]21 ZINC000568405654 322208106 /nfs/dbraw/zinc/20/81/06/322208106.db2.gz GTIMKBYHHMUBCE-SOUVJXGZSA-N 2 1 292.492 3.488 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000569256638 322241167 /nfs/dbraw/zinc/24/11/67/322241167.db2.gz QMFIAQKETZHQDQ-ZFWWWQNUSA-N 2 1 263.429 3.157 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2Cc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000569442934 322247403 /nfs/dbraw/zinc/24/74/03/322247403.db2.gz CHGDIUGOGHQMNR-HSALFYBXSA-N 2 1 298.474 3.254 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC000569661966 322253317 /nfs/dbraw/zinc/25/33/17/322253317.db2.gz CEXKAPCEPCPXJS-FSDCSDTHSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1C=CCCCCC1 ZINC000569944505 322261269 /nfs/dbraw/zinc/26/12/69/322261269.db2.gz MKDGQEXIOOZJMH-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1C=CCCCCC1 ZINC000569944505 322261271 /nfs/dbraw/zinc/26/12/71/322261271.db2.gz MKDGQEXIOOZJMH-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1C=CCCCCC1 ZINC000569944505 322261272 /nfs/dbraw/zinc/26/12/72/322261272.db2.gz MKDGQEXIOOZJMH-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C=CCCCCC1 ZINC000569944505 322261274 /nfs/dbraw/zinc/26/12/74/322261274.db2.gz MKDGQEXIOOZJMH-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@@H]2CCCC[C@H]12 ZINC000570104016 322265104 /nfs/dbraw/zinc/26/51/04/322265104.db2.gz FZBHEHQVSFHWFC-DJIMGWMZSA-N 2 1 275.440 3.253 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@@H]2CCCC[C@H]12 ZINC000570104016 322265105 /nfs/dbraw/zinc/26/51/05/322265105.db2.gz FZBHEHQVSFHWFC-DJIMGWMZSA-N 2 1 275.440 3.253 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000570536273 322276125 /nfs/dbraw/zinc/27/61/25/322276125.db2.gz HMNJRHMRNQNUKN-PMPSAXMXSA-N 2 1 278.827 3.302 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000571299501 322295369 /nfs/dbraw/zinc/29/53/69/322295369.db2.gz SVDBODGFFDSYAR-LZBKUMLDSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000571299501 322295370 /nfs/dbraw/zinc/29/53/70/322295370.db2.gz SVDBODGFFDSYAR-LZBKUMLDSA-N 2 1 284.447 3.428 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2c1cccc2Cl ZINC000571632557 322303824 /nfs/dbraw/zinc/30/38/24/322303824.db2.gz YJBRAYSSCQXMAG-NHYWBVRUSA-N 2 1 266.816 3.290 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCc2c1cccc2Cl ZINC000571632555 322303848 /nfs/dbraw/zinc/30/38/48/322303848.db2.gz YJBRAYSSCQXMAG-ABAIWWIYSA-N 2 1 266.816 3.290 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(F)c(-c2cccs2)c1 ZINC000571682448 322305188 /nfs/dbraw/zinc/30/51/88/322305188.db2.gz WTOHCDVPXAICSF-UHFFFAOYSA-N 2 1 278.396 3.335 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000571942667 322313146 /nfs/dbraw/zinc/31/31/46/322313146.db2.gz JNLLUZRVPILJEX-FZCLSBEQSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccoc1 ZINC000572392357 322334960 /nfs/dbraw/zinc/33/49/60/322334960.db2.gz AKDKEACIQIUVRC-STHQEUCWSA-N 2 1 274.408 3.084 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1C ZINC000572796058 322355541 /nfs/dbraw/zinc/35/55/41/322355541.db2.gz YHHQUTHRHYKHSL-IRXDYDNUSA-N 2 1 289.467 3.380 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000572832939 322357004 /nfs/dbraw/zinc/35/70/04/322357004.db2.gz OMBGHKXKLFGDQX-WMLDXEAASA-N 2 1 276.424 3.044 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671751 322399967 /nfs/dbraw/zinc/39/99/67/322399967.db2.gz DCVYSTQFJWVYDB-KBPBESRZSA-N 2 1 296.405 3.388 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000575172800 322476886 /nfs/dbraw/zinc/47/68/86/322476886.db2.gz GZQKQOWJXMLEMV-WTNVTLLGSA-N 2 1 288.435 3.025 20 0 CGADMP Fc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1C(F)(F)F ZINC000584302010 327230342 /nfs/dbraw/zinc/23/03/42/327230342.db2.gz OUAYLXONGOLANF-UHFFFAOYSA-N 2 1 290.304 3.030 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000583701338 329093242 /nfs/dbraw/zinc/09/32/42/329093242.db2.gz KYJOZDHSRAQSOX-AWEZNQCLSA-N 2 1 263.429 3.253 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000583701338 329093244 /nfs/dbraw/zinc/09/32/44/329093244.db2.gz KYJOZDHSRAQSOX-AWEZNQCLSA-N 2 1 263.429 3.253 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000394029954 329095198 /nfs/dbraw/zinc/09/51/98/329095198.db2.gz DZZGTISRCRNIPB-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000397265986 329346650 /nfs/dbraw/zinc/34/66/50/329346650.db2.gz KIRFOHKGXBLEBP-FMKPAKJESA-N 2 1 283.419 3.040 20 0 CGADMP CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643230 330144788 /nfs/dbraw/zinc/14/47/88/330144788.db2.gz FPWNJPSURHKALT-RDJZCZTQSA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643230 330144790 /nfs/dbraw/zinc/14/47/90/330144790.db2.gz FPWNJPSURHKALT-RDJZCZTQSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@H](C[NH2+]CC1Cc2ccccc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000576392635 335197787 /nfs/dbraw/zinc/19/77/87/335197787.db2.gz UBQJSSVSOZDHHP-HZPDHXFCSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H](C[NH2+]CC1Cc2ccccc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000576392635 335197788 /nfs/dbraw/zinc/19/77/88/335197788.db2.gz UBQJSSVSOZDHHP-HZPDHXFCSA-N 2 1 286.463 3.111 20 0 CGADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576397241 335198337 /nfs/dbraw/zinc/19/83/37/335198337.db2.gz ZLKHUPYSZSNLFP-KSZLIROESA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576822323 335251906 /nfs/dbraw/zinc/25/19/06/335251906.db2.gz BFGQSKADLMVSLU-HKUYNNGSSA-N 2 1 286.463 3.331 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000576983661 335273238 /nfs/dbraw/zinc/27/32/38/335273238.db2.gz FLKQEBBSFOGYPR-AWEZNQCLSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000577493183 335358852 /nfs/dbraw/zinc/35/88/52/335358852.db2.gz WPGFIKGTRQNDCT-KGLIPLIRSA-N 2 1 269.392 3.343 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000578022965 335463708 /nfs/dbraw/zinc/46/37/08/335463708.db2.gz KPYDSKUMOTXSJE-MJGOQNOKSA-N 2 1 297.446 3.354 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCCC13CC3)C2 ZINC000581322082 336049048 /nfs/dbraw/zinc/04/90/48/336049048.db2.gz JKNYOVAPDYQISI-SFHVURJKSA-N 2 1 284.447 3.357 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCCC13CC3)C2 ZINC000581322082 336049049 /nfs/dbraw/zinc/04/90/49/336049049.db2.gz JKNYOVAPDYQISI-SFHVURJKSA-N 2 1 284.447 3.357 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000581364307 336061529 /nfs/dbraw/zinc/06/15/29/336061529.db2.gz XWGUBLWFZLYRDY-CRAIPNDOSA-N 2 1 290.451 3.137 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)c2sccc21 ZINC000581470813 336085223 /nfs/dbraw/zinc/08/52/23/336085223.db2.gz PCNLINPZNXDBPV-FZMZJTMJSA-N 2 1 275.421 3.252 20 0 CGADMP c1ccc(CCC[C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000581671841 336126064 /nfs/dbraw/zinc/12/60/64/336126064.db2.gz LCNLAHKXCAOYQT-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527677 533812609 /nfs/dbraw/zinc/81/26/09/533812609.db2.gz MKRZTEHOQNHRNI-KWCYVHTRSA-N 2 1 286.341 3.063 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071575 533896598 /nfs/dbraw/zinc/89/65/98/533896598.db2.gz SURZNAWGKGEFMJ-DKIMLUQUSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071575 533896605 /nfs/dbraw/zinc/89/66/05/533896605.db2.gz SURZNAWGKGEFMJ-DKIMLUQUSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071575 533896612 /nfs/dbraw/zinc/89/66/12/533896612.db2.gz SURZNAWGKGEFMJ-DKIMLUQUSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071575 533896616 /nfs/dbraw/zinc/89/66/16/533896616.db2.gz SURZNAWGKGEFMJ-DKIMLUQUSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cncs1 ZINC000358475951 533973605 /nfs/dbraw/zinc/97/36/05/533973605.db2.gz XJQKQOOOCBOMGL-MELADBBJSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cncs1 ZINC000358475951 533973610 /nfs/dbraw/zinc/97/36/10/533973610.db2.gz XJQKQOOOCBOMGL-MELADBBJSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000423356898 533990986 /nfs/dbraw/zinc/99/09/86/533990986.db2.gz HLQGGTOBIROAFK-XPXVYLNCSA-N 2 1 292.389 3.331 20 0 CGADMP Cc1ccc2[nH+]ccc(NCCCC[N@H+](C)C3CC3)c2c1 ZINC000413348764 534373479 /nfs/dbraw/zinc/37/34/79/534373479.db2.gz PKIQRPSWTSENKT-UHFFFAOYSA-N 2 1 283.419 3.251 20 0 CGADMP c1cncc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)c1 ZINC000366460792 534512328 /nfs/dbraw/zinc/51/23/28/534512328.db2.gz JKASOHKHTJRTJX-KZNAEPCWSA-N 2 1 285.435 3.139 20 0 CGADMP Fc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192924336 534518687 /nfs/dbraw/zinc/51/86/87/534518687.db2.gz ZQHIIVQKOQYGLW-SFHVURJKSA-N 2 1 298.405 3.437 20 0 CGADMP CCOc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163760 521502064 /nfs/dbraw/zinc/50/20/64/521502064.db2.gz DTSZWVCUGUONPD-ALOPSCKCSA-N 2 1 288.435 3.190 20 0 CGADMP CCn1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000157907199 523456167 /nfs/dbraw/zinc/45/61/67/523456167.db2.gz DGSBVPUSRSTWEF-JKSUJKDBSA-N 2 1 292.471 3.066 20 0 CGADMP CCn1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000157851665 523469798 /nfs/dbraw/zinc/46/97/98/523469798.db2.gz IWNDLBVKRGWIKP-HOTGVXAUSA-N 2 1 292.471 3.208 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093978087 524536994 /nfs/dbraw/zinc/53/69/94/524536994.db2.gz UAYNGKXGNXWITN-ZOBUZTSGSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093978087 524537000 /nfs/dbraw/zinc/53/70/00/524537000.db2.gz UAYNGKXGNXWITN-ZOBUZTSGSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000157807651 525263470 /nfs/dbraw/zinc/26/34/70/525263470.db2.gz SEKYREFMTDWEEG-LMEGTBPZSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000157807651 525263477 /nfs/dbraw/zinc/26/34/77/525263477.db2.gz SEKYREFMTDWEEG-LMEGTBPZSA-N 2 1 276.399 3.144 20 0 CGADMP Fc1cc(Cl)cc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000160817150 526300448 /nfs/dbraw/zinc/30/04/48/526300448.db2.gz AXMGCJIVZKWIET-UHFFFAOYSA-N 2 1 270.779 3.055 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414221999 526814571 /nfs/dbraw/zinc/81/45/71/526814571.db2.gz DTAKTAGGCVNRBE-JKSUJKDBSA-N 2 1 287.451 3.096 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414221999 526814573 /nfs/dbraw/zinc/81/45/73/526814573.db2.gz DTAKTAGGCVNRBE-JKSUJKDBSA-N 2 1 287.451 3.096 20 0 CGADMP C([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCSC1 ZINC000366661554 527489637 /nfs/dbraw/zinc/48/96/37/527489637.db2.gz CYLGPRKEKUEMCT-HOCLYGCPSA-N 2 1 282.497 3.126 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449089907 527814207 /nfs/dbraw/zinc/81/42/07/527814207.db2.gz LTTLASURRYZCDF-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(C)c2)[C@H](C)C1 ZINC000449031448 527831956 /nfs/dbraw/zinc/83/19/56/527831956.db2.gz VLHZMWRCZZMLNN-AEFFLSMTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(C)c2)[C@H](C)C1 ZINC000449031448 527831962 /nfs/dbraw/zinc/83/19/62/527831962.db2.gz VLHZMWRCZZMLNN-AEFFLSMTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(C)c2)[C@H](C)C1 ZINC000449031448 527831973 /nfs/dbraw/zinc/83/19/73/527831973.db2.gz VLHZMWRCZZMLNN-AEFFLSMTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000449372804 527880958 /nfs/dbraw/zinc/88/09/58/527880958.db2.gz APHROTUGEXCHMF-AYBZRNKSSA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449203566 527975363 /nfs/dbraw/zinc/97/53/63/527975363.db2.gz HFOMAROBPZCXDW-RDJZCZTQSA-N 2 1 278.440 3.168 20 0 CGADMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCCCC1 ZINC000423032079 527986933 /nfs/dbraw/zinc/98/69/33/527986933.db2.gz VOBOEFQBTGYNGA-BRWVUGGUSA-N 2 1 294.483 3.094 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1F ZINC000449178998 528172251 /nfs/dbraw/zinc/17/22/51/528172251.db2.gz UTPYGNMOXBFUIZ-RDJZCZTQSA-N 2 1 293.430 3.211 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000174226504 528184785 /nfs/dbraw/zinc/18/47/85/528184785.db2.gz QAYOSZDAKIRGDB-MRXNPFEDSA-N 2 1 292.492 3.442 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000174226504 528184788 /nfs/dbraw/zinc/18/47/88/528184788.db2.gz QAYOSZDAKIRGDB-MRXNPFEDSA-N 2 1 292.492 3.442 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423263800 528311165 /nfs/dbraw/zinc/31/11/65/528311165.db2.gz OXJYRVGHIGMFSW-AAEUAGOBSA-N 2 1 286.366 3.312 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)cccc1F ZINC000359187598 528431168 /nfs/dbraw/zinc/43/11/68/528431168.db2.gz JPZFLPYAGOMBKV-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423259370 528518517 /nfs/dbraw/zinc/51/85/17/528518517.db2.gz DPDNKKDVSYVPCA-GOEBONIOSA-N 2 1 278.440 3.498 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000423347139 528571285 /nfs/dbraw/zinc/57/12/85/528571285.db2.gz QSYRGKQOHUKLOM-IRXDYDNUSA-N 2 1 275.440 3.148 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000423300542 528823696 /nfs/dbraw/zinc/82/36/96/528823696.db2.gz RSZTXFJBVYBNPQ-GOEBONIOSA-N 2 1 264.413 3.253 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423283189 528951558 /nfs/dbraw/zinc/95/15/58/528951558.db2.gz DVPVSKUESKNUJB-CYBMUJFWSA-N 2 1 282.428 3.470 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423290198 528952677 /nfs/dbraw/zinc/95/26/77/528952677.db2.gz ZNAMBPQYGCMHSO-OAHLLOKOSA-N 2 1 278.465 3.124 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423297681 528954435 /nfs/dbraw/zinc/95/44/35/528954435.db2.gz LIIKYFNDXWCXLV-ORQFMDKSSA-N 2 1 260.425 3.286 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449006860 528971147 /nfs/dbraw/zinc/97/11/47/528971147.db2.gz ATOJIDHEMWYVIE-ZDUSSCGKSA-N 2 1 296.405 3.484 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449006860 528971149 /nfs/dbraw/zinc/97/11/49/528971149.db2.gz ATOJIDHEMWYVIE-ZDUSSCGKSA-N 2 1 296.405 3.484 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423285539 529069365 /nfs/dbraw/zinc/06/93/65/529069365.db2.gz ZILAWSDRNKSBJX-WCBMZHEXSA-N 2 1 291.258 3.145 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000437763084 529086311 /nfs/dbraw/zinc/08/63/11/529086311.db2.gz WHSCFQPLKWMPLC-MCIONIFRSA-N 2 1 292.389 3.429 20 0 CGADMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(C(=O)OC)cc1 ZINC000423294908 529156093 /nfs/dbraw/zinc/15/60/93/529156093.db2.gz VPDDCTOSBVLKRS-OAHLLOKOSA-N 2 1 292.423 3.031 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000449285039 529161756 /nfs/dbraw/zinc/16/17/56/529161756.db2.gz QNIBVIYYSCXLHJ-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000449285039 529161757 /nfs/dbraw/zinc/16/17/57/529161757.db2.gz QNIBVIYYSCXLHJ-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414177528 529168082 /nfs/dbraw/zinc/16/80/82/529168082.db2.gz JSOWBIDGAYCXRG-NVXWUHKLSA-N 2 1 260.425 3.459 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cc(C)ccc1OC ZINC000423265809 529178474 /nfs/dbraw/zinc/17/84/74/529178474.db2.gz DADKLEJCWVSPSD-LSDHHAIUSA-N 2 1 264.413 3.028 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423279485 529246877 /nfs/dbraw/zinc/24/68/77/529246877.db2.gz SAUQLMIHYKJHEG-DOMZBBRYSA-N 2 1 266.454 3.433 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000423472832 529247818 /nfs/dbraw/zinc/24/78/18/529247818.db2.gz QJOSUJPVKVUVJM-AAEUAGOBSA-N 2 1 252.427 3.187 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366219565 529373830 /nfs/dbraw/zinc/37/38/30/529373830.db2.gz BBZXQGAGUMTAOX-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@@]1(C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000124706919 536038397 /nfs/dbraw/zinc/03/83/97/536038397.db2.gz WONFXHGOIBYBHS-INIZCTEOSA-N 2 1 263.429 3.484 20 0 CGADMP CC[C@@]1(C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000124706919 536038401 /nfs/dbraw/zinc/03/84/01/536038401.db2.gz WONFXHGOIBYBHS-INIZCTEOSA-N 2 1 263.429 3.484 20 0 CGADMP COc1ccc([C@@H](C)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000469994382 536883328 /nfs/dbraw/zinc/88/33/28/536883328.db2.gz XHUMHZHPYAPZRO-JTUUTPGSSA-N 2 1 288.435 3.014 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCSc1ccc(F)cc1 ZINC000070150167 572351937 /nfs/dbraw/zinc/35/19/37/572351937.db2.gz OHSTVPINNGKYAP-CQSZACIVSA-N 2 1 282.428 3.121 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000045690975 572357323 /nfs/dbraw/zinc/35/73/23/572357323.db2.gz CYEYVNUBKILGCB-HUUCEWRRSA-N 2 1 278.440 3.033 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCC1 ZINC000398186830 572498610 /nfs/dbraw/zinc/49/86/10/572498610.db2.gz LPPUQIBXUJLWCI-YJBOKZPZSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCC1 ZINC000398186830 572498615 /nfs/dbraw/zinc/49/86/15/572498615.db2.gz LPPUQIBXUJLWCI-YJBOKZPZSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[Si](C)(C)C)C1 ZINC000733794438 572602938 /nfs/dbraw/zinc/60/29/38/572602938.db2.gz DFSPFBPIDLAWTP-JKSUJKDBSA-N 2 1 282.548 3.450 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000733794438 572602940 /nfs/dbraw/zinc/60/29/40/572602940.db2.gz DFSPFBPIDLAWTP-JKSUJKDBSA-N 2 1 282.548 3.450 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000733794438 572602944 /nfs/dbraw/zinc/60/29/44/572602944.db2.gz DFSPFBPIDLAWTP-JKSUJKDBSA-N 2 1 282.548 3.450 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)cn1 ZINC000806131562 617835529 /nfs/dbraw/zinc/83/55/29/617835529.db2.gz MBMLMKZLGYKLDN-HOTGVXAUSA-N 2 1 298.434 3.490 20 0 CGADMP CCc1ccc(CNCc2ccc(-n3ccnc3)cc2)o1 ZINC000177748121 618064847 /nfs/dbraw/zinc/06/48/47/618064847.db2.gz LDNPFJRTCYXTSK-UHFFFAOYSA-N 2 1 281.359 3.318 20 0 CGADMP C[NH+](C)CCC1CC[NH+](Cc2nc(C(C)(C)C)co2)CC1 ZINC000891774974 618286255 /nfs/dbraw/zinc/28/62/55/618286255.db2.gz HUAHNMDJIXJYOT-UHFFFAOYSA-N 2 1 293.455 3.136 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1Cl ZINC000051919562 618666992 /nfs/dbraw/zinc/66/69/92/618666992.db2.gz QTSZZSHIKSMBPB-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C1CCC([NH3+])CC1 ZINC000091844436 618737217 /nfs/dbraw/zinc/73/72/17/618737217.db2.gz SQAYAFSROLPFHI-UHFFFAOYSA-N 2 1 270.779 3.181 20 0 CGADMP C[N@@H+](CCCNC(=[NH2+])NC1CCCCC1)C1CCCCC1 ZINC000052047564 618807717 /nfs/dbraw/zinc/80/77/17/618807717.db2.gz LLBNYTHVJFRLLL-UHFFFAOYSA-N 2 1 294.487 3.088 20 0 CGADMP CC[N@H+]1CC[C@H](CNCc2ccc(C(F)F)c(F)c2)C1 ZINC000892615108 618875087 /nfs/dbraw/zinc/87/50/87/618875087.db2.gz VWFFGSMNDMHMLO-GFCCVEGCSA-N 2 1 286.341 3.195 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892615108 618875089 /nfs/dbraw/zinc/87/50/89/618875089.db2.gz VWFFGSMNDMHMLO-GFCCVEGCSA-N 2 1 286.341 3.195 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892615108 618875091 /nfs/dbraw/zinc/87/50/91/618875091.db2.gz VWFFGSMNDMHMLO-GFCCVEGCSA-N 2 1 286.341 3.195 20 0 CGADMP COCCCC1(C[NH2+]CC[N@H+](C)C2CCCC2)CCC1 ZINC000892921097 618953356 /nfs/dbraw/zinc/95/33/56/618953356.db2.gz UOGHHOAFWYYTIM-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP COCCCC1(C[NH2+]CC[N@@H+](C)C2CCCC2)CCC1 ZINC000892921097 618953358 /nfs/dbraw/zinc/95/33/58/618953358.db2.gz UOGHHOAFWYYTIM-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892946621 618959983 /nfs/dbraw/zinc/95/99/83/618959983.db2.gz IQYFEFCJTNNJKG-OPFPJEHXSA-N 2 1 294.389 3.142 20 0 CGADMP CCC(CC)(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925526772 619023062 /nfs/dbraw/zinc/02/30/62/619023062.db2.gz KJSZHOCBCVKCND-ALOPSCKCSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433898 619162955 /nfs/dbraw/zinc/16/29/55/619162955.db2.gz KQYNXTNTURYMGQ-VHDGCEQUSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433898 619162957 /nfs/dbraw/zinc/16/29/57/619162957.db2.gz KQYNXTNTURYMGQ-VHDGCEQUSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433898 619162958 /nfs/dbraw/zinc/16/29/58/619162958.db2.gz KQYNXTNTURYMGQ-VHDGCEQUSA-N 2 1 278.827 3.285 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000093678030 619209016 /nfs/dbraw/zinc/20/90/16/619209016.db2.gz TVLANMYDMRFBIV-ALOPSCKCSA-N 2 1 258.409 3.039 20 0 CGADMP COc1ccccc1C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678099 619209557 /nfs/dbraw/zinc/20/95/57/619209557.db2.gz AFDKKHKUYUCXFI-ZXFUBFMLSA-N 2 1 288.435 3.048 20 0 CGADMP C([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000221846455 619222573 /nfs/dbraw/zinc/22/25/73/619222573.db2.gz KOJJBPRPTWVPEV-YLFCFFPRSA-N 2 1 276.468 3.419 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(F)c1 ZINC000925775333 619238259 /nfs/dbraw/zinc/23/82/59/619238259.db2.gz FTXMVISAZSIYEO-JSGCOSHPSA-N 2 1 286.341 3.111 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)CCC2 ZINC000925776985 619239975 /nfs/dbraw/zinc/23/99/75/619239975.db2.gz BMGBDTHRYPYMFL-WBMJQRKESA-N 2 1 294.389 3.071 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000925781992 619243634 /nfs/dbraw/zinc/24/36/34/619243634.db2.gz CDXXBVQLDVBLNR-MCYUEQNJSA-N 2 1 266.816 3.030 20 0 CGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925783959 619246657 /nfs/dbraw/zinc/24/66/57/619246657.db2.gz QAQITVOGULYGAB-SWLSCSKDSA-N 2 1 298.352 3.038 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000317877567 619256779 /nfs/dbraw/zinc/25/67/79/619256779.db2.gz STYSMIDVBRKJMW-APWZRJJASA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2cccnc21 ZINC000925872676 619302418 /nfs/dbraw/zinc/30/24/18/619302418.db2.gz WZABUQMEEBXHJH-XIRDDKMYSA-N 2 1 287.451 3.359 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2CCc2ccc(F)c(F)c2)CC1 ZINC000893859009 619323110 /nfs/dbraw/zinc/32/31/10/619323110.db2.gz ULCXXIIFGHDENF-UHFFFAOYSA-N 2 1 294.389 3.068 20 0 CGADMP c1ccc2c(c1)ccnc2C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000894205371 619414550 /nfs/dbraw/zinc/41/45/50/619414550.db2.gz XVGFIOOYQRAOFN-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)C(C)C ZINC000924907008 619433333 /nfs/dbraw/zinc/43/33/33/619433333.db2.gz AKRNEXYQHYYXJR-FUHWJXTLSA-N 2 1 289.467 3.113 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)C(C)C ZINC000924907008 619433335 /nfs/dbraw/zinc/43/33/35/619433335.db2.gz AKRNEXYQHYYXJR-FUHWJXTLSA-N 2 1 289.467 3.113 20 0 CGADMP CC[C@H](C)[N@H+](C)CCN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924917430 619440067 /nfs/dbraw/zinc/44/00/67/619440067.db2.gz QNBUAPXTYQBSFR-JKSUJKDBSA-N 2 1 291.483 3.129 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924917430 619440070 /nfs/dbraw/zinc/44/00/70/619440070.db2.gz QNBUAPXTYQBSFR-JKSUJKDBSA-N 2 1 291.483 3.129 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1C(C)C ZINC000261813506 619441013 /nfs/dbraw/zinc/44/10/13/619441013.db2.gz ZZZYLYVEDKOPNZ-SFHVURJKSA-N 2 1 290.451 3.168 20 0 CGADMP C[N@@H+](Cc1csc2ccccc12)C[C@]1(C)CC[NH2+]C1 ZINC000261927904 619480285 /nfs/dbraw/zinc/48/02/85/619480285.db2.gz CJMVBHBUZBHURV-MRXNPFEDSA-N 2 1 274.433 3.333 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cccc3O)s2)CC[N@@H+]1C ZINC000894312318 619485718 /nfs/dbraw/zinc/48/57/18/619485718.db2.gz HKYXBFUCLMFGTD-VXGBXAGGSA-N 2 1 290.432 3.179 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cccc3O)s2)CC[N@H+]1C ZINC000894312318 619485720 /nfs/dbraw/zinc/48/57/20/619485720.db2.gz HKYXBFUCLMFGTD-VXGBXAGGSA-N 2 1 290.432 3.179 20 0 CGADMP C[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000261940867 619494557 /nfs/dbraw/zinc/49/45/57/619494557.db2.gz DRNUFHXIXBSIMQ-AWEZNQCLSA-N 2 1 276.399 3.005 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C/c2cccc(F)c2)C1 ZINC000894781670 619634337 /nfs/dbraw/zinc/63/43/37/619634337.db2.gz HBPXYHYGOOVMDR-HIBMMOJTSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C/c2cccc(F)c2)C1 ZINC000894781670 619634343 /nfs/dbraw/zinc/63/43/43/619634343.db2.gz HBPXYHYGOOVMDR-HIBMMOJTSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C/c2cccc(F)c2)C1 ZINC000894781670 619634347 /nfs/dbraw/zinc/63/43/47/619634347.db2.gz HBPXYHYGOOVMDR-HIBMMOJTSA-N 2 1 288.410 3.255 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cnc(-c2cccs2)s1)[NH+](C)C ZINC000895298144 619799004 /nfs/dbraw/zinc/79/90/04/619799004.db2.gz RNXHMHCPTPGHBO-NSHDSACASA-N 2 1 295.477 3.301 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)ccc2c1 ZINC000262552122 620206523 /nfs/dbraw/zinc/20/65/23/620206523.db2.gz SQEDIRJUPZNRHY-KSSFIOAISA-N 2 1 298.430 3.265 20 0 CGADMP c1cc2cccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)c2[nH]1 ZINC000897980955 620461646 /nfs/dbraw/zinc/46/16/46/620461646.db2.gz GQXGGHNHMAZNHR-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP C[N@@H+](Cc1coc2ccccc12)[C@H]1CCC[NH2+]CC1 ZINC000231465463 620547217 /nfs/dbraw/zinc/54/72/17/620547217.db2.gz PROAOLBVYVADMU-AWEZNQCLSA-N 2 1 258.365 3.007 20 0 CGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000927065983 620569852 /nfs/dbraw/zinc/56/98/52/620569852.db2.gz KAJSKVDKAWHTKD-SFHVURJKSA-N 2 1 288.435 3.220 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000902405590 621292215 /nfs/dbraw/zinc/29/22/15/621292215.db2.gz JEGZENVFSSZIRF-DZGCQCFKSA-N 2 1 278.827 3.447 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902407222 621292809 /nfs/dbraw/zinc/29/28/09/621292809.db2.gz QELPAAXLIBCCFT-ZDUSSCGKSA-N 2 1 262.397 3.007 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cncs1 ZINC000902453050 621332001 /nfs/dbraw/zinc/33/20/01/621332001.db2.gz BULARNLUZOERDL-NWANDNLSSA-N 2 1 287.432 3.287 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCSC(C)(C)C)C1 ZINC000801925283 621392734 /nfs/dbraw/zinc/39/27/34/621392734.db2.gz KUAZPKWUZBGPPX-HNNXBMFYSA-N 2 1 284.513 3.182 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCSC(C)(C)C)C1 ZINC000801925283 621392736 /nfs/dbraw/zinc/39/27/36/621392736.db2.gz KUAZPKWUZBGPPX-HNNXBMFYSA-N 2 1 284.513 3.182 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000801925283 621392741 /nfs/dbraw/zinc/39/27/41/621392741.db2.gz KUAZPKWUZBGPPX-HNNXBMFYSA-N 2 1 284.513 3.182 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC[N@@H+]1C ZINC000902818438 621454122 /nfs/dbraw/zinc/45/41/22/621454122.db2.gz NTTITBPHLCJTCW-VDHUWJSZSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC[N@H+]1C ZINC000902818438 621454129 /nfs/dbraw/zinc/45/41/29/621454129.db2.gz NTTITBPHLCJTCW-VDHUWJSZSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055665 621545506 /nfs/dbraw/zinc/54/55/06/621545506.db2.gz JFYSTBOSMDKYPF-IBWRZXHSSA-N 2 1 262.441 3.313 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000903059929 621549260 /nfs/dbraw/zinc/54/92/60/621549260.db2.gz XQFJPTKVXVSQLW-FGTMMUONSA-N 2 1 294.483 3.046 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000903059930 621549310 /nfs/dbraw/zinc/54/93/10/621549310.db2.gz XQFJPTKVXVSQLW-KZNAEPCWSA-N 2 1 294.483 3.046 20 0 CGADMP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cs1 ZINC000903061502 621550306 /nfs/dbraw/zinc/55/03/06/621550306.db2.gz FQTBMODVRPLNIE-VHRNVKJDSA-N 2 1 276.449 3.038 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000903068018 621553536 /nfs/dbraw/zinc/55/35/36/621553536.db2.gz WLAWWDCGTULBNR-OAHLLOKOSA-N 2 1 292.471 3.064 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000903068018 621553538 /nfs/dbraw/zinc/55/35/38/621553538.db2.gz WLAWWDCGTULBNR-OAHLLOKOSA-N 2 1 292.471 3.064 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000903068018 621553540 /nfs/dbraw/zinc/55/35/40/621553540.db2.gz WLAWWDCGTULBNR-OAHLLOKOSA-N 2 1 292.471 3.064 20 0 CGADMP c1ccc2c(c1)C[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903091221 621566419 /nfs/dbraw/zinc/56/64/19/621566419.db2.gz PKVOIUSDDMTJII-UNPWZGGWSA-N 2 1 282.431 3.074 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1C ZINC000903099326 621572009 /nfs/dbraw/zinc/57/20/09/621572009.db2.gz DXWZPAQRXRMEJL-TWHJKIGZSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1C ZINC000903099326 621572012 /nfs/dbraw/zinc/57/20/12/621572012.db2.gz DXWZPAQRXRMEJL-TWHJKIGZSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000903099325 621572224 /nfs/dbraw/zinc/57/22/24/621572224.db2.gz DXWZPAQRXRMEJL-JOWFITRBSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000903099325 621572230 /nfs/dbraw/zinc/57/22/30/621572230.db2.gz DXWZPAQRXRMEJL-JOWFITRBSA-N 2 1 252.446 3.129 20 0 CGADMP FC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903170408 621619518 /nfs/dbraw/zinc/61/95/18/621619518.db2.gz HEOGHPIVDYDISC-LQDVMPOASA-N 2 1 266.404 3.016 20 0 CGADMP CSCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903198976 621624169 /nfs/dbraw/zinc/62/41/69/621624169.db2.gz ICZBESVSPGZAGD-VHRNVKJDSA-N 2 1 294.508 3.267 20 0 CGADMP CC[N@H+](Cc1ccccc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431548 621743836 /nfs/dbraw/zinc/74/38/36/621743836.db2.gz PDNVECPPFQNWOP-OCCSQVGLSA-N 2 1 266.816 3.289 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430515 621744271 /nfs/dbraw/zinc/74/42/71/621744271.db2.gz UXPUZXUKBPPJKK-PBHICJAKSA-N 2 1 268.404 3.399 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434360 621745479 /nfs/dbraw/zinc/74/54/79/621745479.db2.gz DKGAVMNAGSUVMY-NJAFHUGGSA-N 2 1 272.436 3.129 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903437933 621747496 /nfs/dbraw/zinc/74/74/96/621747496.db2.gz OAZYAGOQASECQL-HYVNUMGLSA-N 2 1 290.476 3.212 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CSc3ccccc3)C2)C1 ZINC000903440482 621749430 /nfs/dbraw/zinc/74/94/30/621749430.db2.gz ZRVYSJLNWBJIRK-ARFHVFGLSA-N 2 1 290.476 3.228 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1CC[NH3+] ZINC000903498985 621765899 /nfs/dbraw/zinc/76/58/99/621765899.db2.gz QGGRDKRHFKHEDZ-DJIMGWMZSA-N 2 1 272.436 3.023 20 0 CGADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+](C1CC1)C1CCCCC1 ZINC000903724292 621796827 /nfs/dbraw/zinc/79/68/27/621796827.db2.gz MULSAIKNEYWTFP-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1csc(C2([NH2+]C[C@H]3CCCC[NH2+]C3)CCCC2)n1 ZINC000903740715 621801054 /nfs/dbraw/zinc/80/10/54/621801054.db2.gz KFXWKVQZFBOGFR-AWEZNQCLSA-N 2 1 293.480 3.200 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811267 621814085 /nfs/dbraw/zinc/81/40/85/621814085.db2.gz KQFZKHBNEPDMQL-CYBMUJFWSA-N 2 1 274.399 3.405 20 0 CGADMP CCc1noc(C)c1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813411 621814536 /nfs/dbraw/zinc/81/45/36/621814536.db2.gz FNTPGRVAMNZKEU-MRXNPFEDSA-N 2 1 291.439 3.029 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@@H]2CCC3(CCC3)O2)CCC1 ZINC000903812681 621814590 /nfs/dbraw/zinc/81/45/90/621814590.db2.gz VYCCVERDVMIVCJ-JKSUJKDBSA-N 2 1 292.467 3.072 20 0 CGADMP C[C@]12C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903825921 621817040 /nfs/dbraw/zinc/81/70/40/621817040.db2.gz FHSFBPNGDZQJEV-OTGMMMNBSA-N 2 1 286.463 3.051 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903891500 621823706 /nfs/dbraw/zinc/82/37/06/621823706.db2.gz BDIAKWDPQZPQOI-INIVZCIXSA-N 2 1 262.441 3.170 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903891501 621824053 /nfs/dbraw/zinc/82/40/53/621824053.db2.gz BDIAKWDPQZPQOI-KTRHNEQQSA-N 2 1 262.441 3.170 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000903915368 621832823 /nfs/dbraw/zinc/83/28/23/621832823.db2.gz BHMFILHVRNAMAU-JONQDZQNSA-N 2 1 294.389 3.380 20 0 CGADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903932194 621834842 /nfs/dbraw/zinc/83/48/42/621834842.db2.gz OBXDWLXRBFEEEA-RWMBFGLXSA-N 2 1 274.399 3.117 20 0 CGADMP CCC1(CC)CCC[N@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903916925 621836316 /nfs/dbraw/zinc/83/63/16/621836316.db2.gz WMMGWSBKXNIIEK-GFCCVEGCSA-N 2 1 262.388 3.261 20 0 CGADMP CCC1(CC)CCC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903916925 621836317 /nfs/dbraw/zinc/83/63/17/621836317.db2.gz WMMGWSBKXNIIEK-GFCCVEGCSA-N 2 1 262.388 3.261 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974281 621844496 /nfs/dbraw/zinc/84/44/96/621844496.db2.gz SVUDBOXJDLAGQN-IXDOHACOSA-N 2 1 294.483 3.094 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904350695 621911206 /nfs/dbraw/zinc/91/12/06/621911206.db2.gz PJWUMWSRVAWNTO-UHFFFAOYSA-N 2 1 274.330 3.370 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC[C@@H]1C[NH3+] ZINC000904410653 621919340 /nfs/dbraw/zinc/91/93/40/621919340.db2.gz QNOACNUIPDRSDR-VHSXEESVSA-N 2 1 292.370 3.184 20 0 CGADMP c1cc2[nH+]ccc(N3CCCC[C@]4(CC[NH2+]C4)C3)c2s1 ZINC000905681160 622096719 /nfs/dbraw/zinc/09/67/19/622096719.db2.gz KYOJBFDKBKCTKI-MRXNPFEDSA-N 2 1 287.432 3.266 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccnc(Cl)c1)C[NH+]1CCCC1 ZINC000165311887 622858898 /nfs/dbraw/zinc/85/88/98/622858898.db2.gz KMTWXFHJTFOSIQ-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224193891 622870125 /nfs/dbraw/zinc/87/01/25/622870125.db2.gz ZAGVLGYQAQXOBZ-KBPBESRZSA-N 2 1 254.377 3.181 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226434745 622967276 /nfs/dbraw/zinc/96/72/76/622967276.db2.gz FWAFYWUDTRINOZ-GFCCVEGCSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226434745 622967279 /nfs/dbraw/zinc/96/72/79/622967279.db2.gz FWAFYWUDTRINOZ-GFCCVEGCSA-N 2 1 287.234 3.425 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000158168798 623010224 /nfs/dbraw/zinc/01/02/24/623010224.db2.gz ORPFMUOHPRTNEH-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000925387019 623518195 /nfs/dbraw/zinc/51/81/95/623518195.db2.gz JXMRCTVACDTQIF-FVQHAEBGSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccccc2CF)C1 ZINC000929761991 623594951 /nfs/dbraw/zinc/59/49/51/623594951.db2.gz ATQAEOOUVZQJPX-MRXNPFEDSA-N 2 1 290.426 3.320 20 0 CGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2CF)C1 ZINC000929761991 623594955 /nfs/dbraw/zinc/59/49/55/623594955.db2.gz ATQAEOOUVZQJPX-MRXNPFEDSA-N 2 1 290.426 3.320 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2CF)C1 ZINC000929761991 623594963 /nfs/dbraw/zinc/59/49/63/623594963.db2.gz ATQAEOOUVZQJPX-MRXNPFEDSA-N 2 1 290.426 3.320 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2CF)C1 ZINC000929761991 623594965 /nfs/dbraw/zinc/59/49/65/623594965.db2.gz ATQAEOOUVZQJPX-MRXNPFEDSA-N 2 1 290.426 3.320 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000929761991 623594972 /nfs/dbraw/zinc/59/49/72/623594972.db2.gz ATQAEOOUVZQJPX-MRXNPFEDSA-N 2 1 290.426 3.320 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC000929780792 623634413 /nfs/dbraw/zinc/63/44/13/623634413.db2.gz HHDRFWLWQNLUQV-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC000929780792 623634417 /nfs/dbraw/zinc/63/44/17/623634417.db2.gz HHDRFWLWQNLUQV-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC000929780792 623634419 /nfs/dbraw/zinc/63/44/19/623634419.db2.gz HHDRFWLWQNLUQV-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC000929780792 623634422 /nfs/dbraw/zinc/63/44/22/623634422.db2.gz HHDRFWLWQNLUQV-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000152422082 623656646 /nfs/dbraw/zinc/65/66/46/623656646.db2.gz MHTPWPIHDHUISB-CABCVRRESA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154689596 624343283 /nfs/dbraw/zinc/34/32/83/624343283.db2.gz CVKVHYGRSWUVKJ-ZDUSSCGKSA-N 2 1 264.388 3.160 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCc2cccnc2)cc1 ZINC000930117091 624447398 /nfs/dbraw/zinc/44/73/98/624447398.db2.gz FTWAKKNTURMXPE-UHFFFAOYSA-N 2 1 297.446 3.208 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[NH+]1CCCCC1 ZINC000921475511 624599462 /nfs/dbraw/zinc/59/94/62/624599462.db2.gz AFBDLJXLILVKMI-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000068635338 624744151 /nfs/dbraw/zinc/74/41/51/624744151.db2.gz BPUHOCPUJJFOBE-IYXRBSQSSA-N 2 1 292.389 3.427 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000921688721 625839678 /nfs/dbraw/zinc/83/96/78/625839678.db2.gz CLGYTBUJCWNAQY-ARFHVFGLSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000251487367 625890360 /nfs/dbraw/zinc/89/03/60/625890360.db2.gz BYGSOUFHPVBSNY-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502313 626158490 /nfs/dbraw/zinc/15/84/90/626158490.db2.gz WIVYFMPJUPAWAJ-IIAWOOMASA-N 2 1 299.418 3.319 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000923493639 626158510 /nfs/dbraw/zinc/15/85/10/626158510.db2.gz UJJYKBHHJPPNAI-LBPRGKRZSA-N 2 1 284.856 3.103 20 0 CGADMP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000923526352 626161024 /nfs/dbraw/zinc/16/10/24/626161024.db2.gz ORKSBWCGAHQITB-FUDCBSFHSA-N 2 1 290.373 3.181 20 0 CGADMP Cc1csc(C[C@H]2CC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000923552345 626163535 /nfs/dbraw/zinc/16/35/35/626163535.db2.gz WHSGUAYMHDTRDW-OAHLLOKOSA-N 2 1 295.496 3.225 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCOCC3CCCC3)C2)CC1 ZINC000838981464 626290560 /nfs/dbraw/zinc/29/05/60/626290560.db2.gz RDFBZRNGSRPCAU-UHFFFAOYSA-N 2 1 294.483 3.001 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1(CC)CC ZINC000766488796 627336773 /nfs/dbraw/zinc/33/67/73/627336773.db2.gz OLQOOMLFRMQOAJ-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000767361510 627401741 /nfs/dbraw/zinc/40/17/41/627401741.db2.gz OBCPWLUSKGDHNZ-OKILXGFUSA-N 2 1 278.440 3.354 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000767361510 627401743 /nfs/dbraw/zinc/40/17/43/627401743.db2.gz OBCPWLUSKGDHNZ-OKILXGFUSA-N 2 1 278.440 3.354 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000773070560 627850354 /nfs/dbraw/zinc/85/03/54/627850354.db2.gz XRVZLHKIYKBNKG-RDJZCZTQSA-N 2 1 260.425 3.123 20 0 CGADMP CCC[N@H+]1CC[C@@H](CNc2cc[nH+]c3cc(OC)ccc23)C1 ZINC000774515660 627999715 /nfs/dbraw/zinc/99/97/15/627999715.db2.gz CETCPHPSDMMMFM-AWEZNQCLSA-N 2 1 299.418 3.387 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630299 628115678 /nfs/dbraw/zinc/11/56/78/628115678.db2.gz YPMNYCUHTPBMAI-KBPBESRZSA-N 2 1 271.408 3.160 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CF)cc2)C[C@H]1C ZINC000777596557 628287895 /nfs/dbraw/zinc/28/78/95/628287895.db2.gz SFXYIKURIAVDFX-RHSMWYFYSA-N 2 1 278.415 3.461 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000777687200 628293005 /nfs/dbraw/zinc/29/30/05/628293005.db2.gz KCKUFWWNFPBHKK-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccn1 ZINC000781902680 628604336 /nfs/dbraw/zinc/60/43/36/628604336.db2.gz IIXSRQDJKSWWBF-QGZVFWFLSA-N 2 1 275.440 3.244 20 0 CGADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782182493 628620972 /nfs/dbraw/zinc/62/09/72/628620972.db2.gz CMVQSPFEYRWTNQ-SFHVURJKSA-N 2 1 290.451 3.420 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000782183257 628621083 /nfs/dbraw/zinc/62/10/83/628621083.db2.gz JGNSHWWUMKRIGC-LBPRGKRZSA-N 2 1 281.469 3.095 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000782183255 628621120 /nfs/dbraw/zinc/62/11/20/628621120.db2.gz JGNSHWWUMKRIGC-GFCCVEGCSA-N 2 1 281.469 3.095 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000788480536 629058408 /nfs/dbraw/zinc/05/84/08/629058408.db2.gz LBKHVXIASBRCJV-QGZVFWFLSA-N 2 1 262.441 3.151 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@]1(C)CCCS1 ZINC000862247719 629329319 /nfs/dbraw/zinc/32/93/19/629329319.db2.gz BIOGLSSVQBSMLZ-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@]1(C)CCCS1 ZINC000862247719 629329322 /nfs/dbraw/zinc/32/93/22/629329322.db2.gz BIOGLSSVQBSMLZ-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@]1(C)CCCS1 ZINC000862247719 629329325 /nfs/dbraw/zinc/32/93/25/629329325.db2.gz BIOGLSSVQBSMLZ-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000793240095 629434934 /nfs/dbraw/zinc/43/49/34/629434934.db2.gz SCBULJTVTYLSBP-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP c1ccc([C@@H]2C[C@H]3C[N@H+](CC[C@@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000863556874 629605667 /nfs/dbraw/zinc/60/56/67/629605667.db2.gz IWKSAEWFWKHMDW-DSLXNQLJSA-N 2 1 284.447 3.112 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000796704847 629817882 /nfs/dbraw/zinc/81/78/82/629817882.db2.gz CFTWOOHNGSOXRP-BNEJOLLZSA-N 2 1 290.426 3.392 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+](C/C(Cl)=C/Cl)C2)CC1 ZINC000799178051 630153053 /nfs/dbraw/zinc/15/30/53/630153053.db2.gz JTYRPXKBQUVVPJ-XFXZXTDPSA-N 2 1 277.239 3.113 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C/C(Cl)=C/Cl)C2)CC1 ZINC000799178051 630153058 /nfs/dbraw/zinc/15/30/58/630153058.db2.gz JTYRPXKBQUVVPJ-XFXZXTDPSA-N 2 1 277.239 3.113 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cnc(Cl)c(F)c1)[NH+]1CCCCC1 ZINC000865525861 630169115 /nfs/dbraw/zinc/16/91/15/630169115.db2.gz HSKRXILMNXDDBV-LBPRGKRZSA-N 2 1 299.821 3.228 20 0 CGADMP CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]C1CC[NH+](C)CC1 ZINC000865698919 630387286 /nfs/dbraw/zinc/38/72/86/630387286.db2.gz TXVFYJGBWOMKLQ-MRXNPFEDSA-N 2 1 299.462 3.183 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cncc2ccccc21 ZINC000809765300 630802129 /nfs/dbraw/zinc/80/21/29/630802129.db2.gz MISPZXNXUKTWMR-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cncc2ccccc21 ZINC000809765300 630802132 /nfs/dbraw/zinc/80/21/32/630802132.db2.gz MISPZXNXUKTWMR-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cncc2ccccc21 ZINC000809765300 630802135 /nfs/dbraw/zinc/80/21/35/630802135.db2.gz MISPZXNXUKTWMR-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cncc2ccccc21 ZINC000809765300 630802137 /nfs/dbraw/zinc/80/21/37/630802137.db2.gz MISPZXNXUKTWMR-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP CCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000815209905 631741041 /nfs/dbraw/zinc/74/10/41/631741041.db2.gz FNVZSWOSZJBFDX-SJPCQFCGSA-N 2 1 282.472 3.140 20 0 CGADMP CCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000815209905 631741050 /nfs/dbraw/zinc/74/10/50/631741050.db2.gz FNVZSWOSZJBFDX-SJPCQFCGSA-N 2 1 282.472 3.140 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000815560534 631795267 /nfs/dbraw/zinc/79/52/67/631795267.db2.gz JQBNIYMRXLWMKF-NUEKZKHPSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000815578747 631799399 /nfs/dbraw/zinc/79/93/99/631799399.db2.gz VMYLHBMIFXIYDM-KBPBESRZSA-N 2 1 264.388 3.127 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000815583480 631800378 /nfs/dbraw/zinc/80/03/78/631800378.db2.gz HEGCTHZODXBNMS-VNHYZAJKSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000815583480 631800381 /nfs/dbraw/zinc/80/03/81/631800381.db2.gz HEGCTHZODXBNMS-VNHYZAJKSA-N 2 1 264.388 3.267 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817907673 632232775 /nfs/dbraw/zinc/23/27/75/632232775.db2.gz HJIQVTOWWHPJAL-HUBLWGQQSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817907685 632233119 /nfs/dbraw/zinc/23/31/19/632233119.db2.gz HJIQVTOWWHPJAL-ZOWXZIJZSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000817938902 632239603 /nfs/dbraw/zinc/23/96/03/632239603.db2.gz VHWKXULWSLUAJD-OAHLLOKOSA-N 2 1 298.434 3.185 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccnc(Cl)c1 ZINC000817959226 632254512 /nfs/dbraw/zinc/25/45/12/632254512.db2.gz QQADNKAFIOGUMR-RISCZKNCSA-N 2 1 281.831 3.293 20 0 CGADMP c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820805087 632678573 /nfs/dbraw/zinc/67/85/73/632678573.db2.gz FKTHZGVFVZFEAH-LQDVMPOASA-N 2 1 276.449 3.038 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000844225338 635833547 /nfs/dbraw/zinc/83/35/47/635833547.db2.gz NTFDKYBJEBZRJN-LSDHHAIUSA-N 2 1 291.439 3.010 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])Cc1nc2c(s1)CCCC2 ZINC000844221916 635833887 /nfs/dbraw/zinc/83/38/87/635833887.db2.gz OAQWQYFQURMLPP-UHFFFAOYSA-N 2 1 295.496 3.363 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822603120 632984089 /nfs/dbraw/zinc/98/40/89/632984089.db2.gz WVKIICJYEVUWKH-GFCCVEGCSA-N 2 1 293.282 3.375 20 0 CGADMP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c2cc(F)ccc2[nH+]1 ZINC000866204207 633028838 /nfs/dbraw/zinc/02/88/38/633028838.db2.gz BCQVCVAQPNHTIU-SUMWQHHRSA-N 2 1 299.393 3.213 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866239183 633039610 /nfs/dbraw/zinc/03/96/10/633039610.db2.gz RMAYCYWUFDEZMX-OAHLLOKOSA-N 2 1 271.408 3.111 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000866239706 633040212 /nfs/dbraw/zinc/04/02/12/633040212.db2.gz ZZBWTZJAAGSYLW-CGTJXYLNSA-N 2 1 272.436 3.142 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866361948 633101643 /nfs/dbraw/zinc/10/16/43/633101643.db2.gz WEDKANSGHSFVMD-JKSUJKDBSA-N 2 1 277.456 3.113 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866361948 633101646 /nfs/dbraw/zinc/10/16/46/633101646.db2.gz WEDKANSGHSFVMD-JKSUJKDBSA-N 2 1 277.456 3.113 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1)C[NH+](C)C ZINC000866364371 633102742 /nfs/dbraw/zinc/10/27/42/633102742.db2.gz NQNYZLSAEUIZLJ-GHMZBOCLSA-N 2 1 295.814 3.330 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000824332390 633232826 /nfs/dbraw/zinc/23/28/26/633232826.db2.gz JTXUHBKAJIETCT-UHFFFAOYSA-N 2 1 278.465 3.364 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000866706022 633234618 /nfs/dbraw/zinc/23/46/18/633234618.db2.gz FBIPTGJOABUXAU-IBGZPJMESA-N 2 1 297.446 3.432 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866715722 633235303 /nfs/dbraw/zinc/23/53/03/633235303.db2.gz FJFQIGWHBNMJBG-AEFFLSMTSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000866710325 633235875 /nfs/dbraw/zinc/23/58/75/633235875.db2.gz YLXBNIRDMWWFJI-JSGCOSHPSA-N 2 1 274.399 3.119 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000828339256 633606215 /nfs/dbraw/zinc/60/62/15/633606215.db2.gz ZWLPDRUMYUIGDC-AGIUHOORSA-N 2 1 293.282 3.232 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000829444023 633734556 /nfs/dbraw/zinc/73/45/56/633734556.db2.gz QGQKWTXCOMMGEA-CQSZACIVSA-N 2 1 286.410 3.230 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+](CC)CC1 ZINC000872018183 633938995 /nfs/dbraw/zinc/93/89/95/633938995.db2.gz IZHCTWMPICNISY-LLVKDONJSA-N 2 1 266.351 3.181 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000872022820 633943311 /nfs/dbraw/zinc/94/33/11/633943311.db2.gz LOUSQVGTSFESSW-JHJVBQTASA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000872022820 633943313 /nfs/dbraw/zinc/94/33/13/633943313.db2.gz LOUSQVGTSFESSW-JHJVBQTASA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000872031808 633950887 /nfs/dbraw/zinc/95/08/87/633950887.db2.gz MXMXWWKKLHISFU-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000872031808 633950893 /nfs/dbraw/zinc/95/08/93/633950893.db2.gz MXMXWWKKLHISFU-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000872035366 633954038 /nfs/dbraw/zinc/95/40/38/633954038.db2.gz MFHULHLRHFLCRD-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000872072190 633992976 /nfs/dbraw/zinc/99/29/76/633992976.db2.gz BEYXDPPCIQLHIQ-NEPJUHHUSA-N 2 1 268.367 3.426 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000872072190 633992980 /nfs/dbraw/zinc/99/29/80/633992980.db2.gz BEYXDPPCIQLHIQ-NEPJUHHUSA-N 2 1 268.367 3.426 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872074309 633996529 /nfs/dbraw/zinc/99/65/29/633996529.db2.gz ZVPQVOADSDKSNR-XHSDSOJGSA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872074309 633996536 /nfs/dbraw/zinc/99/65/36/633996536.db2.gz ZVPQVOADSDKSNR-XHSDSOJGSA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872074306 633997319 /nfs/dbraw/zinc/99/73/19/633997319.db2.gz ZVPQVOADSDKSNR-OAGGEKHMSA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872074306 633997326 /nfs/dbraw/zinc/99/73/26/633997326.db2.gz ZVPQVOADSDKSNR-OAGGEKHMSA-N 2 1 284.488 3.290 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000846217804 636161185 /nfs/dbraw/zinc/16/11/85/636161185.db2.gz CEBKSCCECYBMRD-QGZVFWFLSA-N 2 1 276.424 3.049 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000846218250 636161376 /nfs/dbraw/zinc/16/13/76/636161376.db2.gz LVQBDPZSNKKILI-KRWDZBQOSA-N 2 1 278.415 3.352 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1C(F)(F)F ZINC000872150255 634066827 /nfs/dbraw/zinc/06/68/27/634066827.db2.gz UZKDEPHHEOAEKP-LSDHHAIUSA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1C(F)(F)F ZINC000872150255 634066830 /nfs/dbraw/zinc/06/68/30/634066830.db2.gz UZKDEPHHEOAEKP-LSDHHAIUSA-N 2 1 298.352 3.133 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(C(F)(F)F)co1 ZINC000872157225 634067556 /nfs/dbraw/zinc/06/75/56/634067556.db2.gz NRZBMIORNJEDHG-UHFFFAOYSA-N 2 1 278.318 3.249 20 0 CGADMP Cc1conc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157718 634067609 /nfs/dbraw/zinc/06/76/09/634067609.db2.gz PVWHMKKKCKBGKF-HOCLYGCPSA-N 2 1 291.439 3.103 20 0 CGADMP Cc1nocc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158299 634069559 /nfs/dbraw/zinc/06/95/59/634069559.db2.gz UUKRWRVIVCRFPB-PBHICJAKSA-N 2 1 291.439 3.103 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)[C@@H]2CCC[C@H]21 ZINC000834885997 634267471 /nfs/dbraw/zinc/26/74/71/634267471.db2.gz ZEJSAMPJCAMGDC-RVMXOQNASA-N 2 1 291.266 3.033 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834908115 634282898 /nfs/dbraw/zinc/28/28/98/634282898.db2.gz BTRKNKXZXYWMGY-CYBMUJFWSA-N 2 1 272.502 3.371 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CSc3ccccc32)C1 ZINC000873244428 634298250 /nfs/dbraw/zinc/29/82/50/634298250.db2.gz HLNBRYMMJYCDGI-TZMCWYRMSA-N 2 1 276.449 3.201 20 0 CGADMP C[N@H+](Cc1cccc2ncccc12)CC1CC[NH+](C)CC1 ZINC000876690774 634882002 /nfs/dbraw/zinc/88/20/02/634882002.db2.gz QKETZVXWLFPJNN-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC000876942909 634933602 /nfs/dbraw/zinc/93/36/02/634933602.db2.gz ILOXLVJTGYMWJW-OWCLPIDISA-N 2 1 294.483 3.044 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000877528905 635072726 /nfs/dbraw/zinc/07/27/26/635072726.db2.gz NSOOMCOFBKFIDL-OAHLLOKOSA-N 2 1 284.513 3.182 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc3ncccc23)C1 ZINC000877531753 635075032 /nfs/dbraw/zinc/07/50/32/635075032.db2.gz QYVLDYYFFRDFKR-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000877531753 635075041 /nfs/dbraw/zinc/07/50/41/635075041.db2.gz QYVLDYYFFRDFKR-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000877531753 635075046 /nfs/dbraw/zinc/07/50/46/635075046.db2.gz QYVLDYYFFRDFKR-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000841010170 635106047 /nfs/dbraw/zinc/10/60/47/635106047.db2.gz BYCXTUSLRNWAEW-IIYDPXPESA-N 2 1 294.389 3.490 20 0 CGADMP CC1(C)CCC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)O1 ZINC000877971831 635296765 /nfs/dbraw/zinc/29/67/65/635296765.db2.gz POGXWCKUGPUPOS-QGZVFWFLSA-N 2 1 294.483 3.284 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000878120321 635365792 /nfs/dbraw/zinc/36/57/92/635365792.db2.gz GUDBSSDXBOUCJS-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000842471542 635376693 /nfs/dbraw/zinc/37/66/93/635376693.db2.gz HZKFWHQIDJNVNF-QGZVFWFLSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000842471542 635376696 /nfs/dbraw/zinc/37/66/96/635376696.db2.gz HZKFWHQIDJNVNF-QGZVFWFLSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000842476975 635379817 /nfs/dbraw/zinc/37/98/17/635379817.db2.gz YYOQRJSYMXETOT-GOSISDBHSA-N 2 1 289.467 3.472 20 0 CGADMP CCCCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048584 635549242 /nfs/dbraw/zinc/54/92/42/635549242.db2.gz ISKVEFYOIAILOI-KRWDZBQOSA-N 2 1 290.451 3.426 20 0 CGADMP Cc1cccc(C)c1OCCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354655 635652214 /nfs/dbraw/zinc/65/22/14/635652214.db2.gz ALPGRTNHYRUTKK-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCc1cccc(F)c1 ZINC000843360157 635654149 /nfs/dbraw/zinc/65/41/49/635654149.db2.gz BSXQWJXBTGJRCI-ALOPSCKCSA-N 2 1 276.399 3.103 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCC[NH3+])C1 ZINC000846222235 636163058 /nfs/dbraw/zinc/16/30/58/636163058.db2.gz VECICKLQFYVCPN-QZTJIDSGSA-N 3 1 295.515 3.092 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846222235 636163061 /nfs/dbraw/zinc/16/30/61/636163061.db2.gz VECICKLQFYVCPN-QZTJIDSGSA-N 3 1 295.515 3.092 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846222235 636163063 /nfs/dbraw/zinc/16/30/63/636163063.db2.gz VECICKLQFYVCPN-QZTJIDSGSA-N 3 1 295.515 3.092 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000846221268 636163570 /nfs/dbraw/zinc/16/35/70/636163570.db2.gz VYEDMPXEPOWZMZ-AWEZNQCLSA-N 2 1 296.842 3.312 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1sccc1Cl ZINC000883217103 636591547 /nfs/dbraw/zinc/59/15/47/636591547.db2.gz BSBWSOHWIIVDIQ-LBPRGKRZSA-N 2 1 283.828 3.418 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1C(C)C ZINC000848532733 636592443 /nfs/dbraw/zinc/59/24/43/636592443.db2.gz LPRZPPUABFWVJY-UHFFFAOYSA-N 2 1 257.381 3.105 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]2CCC[C@H]21 ZINC000883321988 636673907 /nfs/dbraw/zinc/67/39/07/636673907.db2.gz RJNLZJJYBJKWNE-YHPRMOQLSA-N 2 1 262.441 3.028 20 0 CGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996389 636708947 /nfs/dbraw/zinc/70/89/47/636708947.db2.gz RELXDJXOLOSIFF-JKSUJKDBSA-N 2 1 296.503 3.045 20 0 CGADMP CCc1cccc(NC(=[NH2+])NCC[N@H+]2CCCC2(C)C)c1 ZINC000849039217 636727625 /nfs/dbraw/zinc/72/76/25/636727625.db2.gz NXMOLSCXKHPLHE-UHFFFAOYSA-N 2 1 288.439 3.060 20 0 CGADMP CCc1cccc(NC(=[NH2+])NCCCC[N@@H+](C)C2CC2)c1 ZINC000849039583 636728192 /nfs/dbraw/zinc/72/81/92/636728192.db2.gz HGFQZEFHJHNUEF-UHFFFAOYSA-N 2 1 288.439 3.060 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883430051 636753157 /nfs/dbraw/zinc/75/31/57/636753157.db2.gz MEFGCRXINVQBTP-ULQDDVLXSA-N 2 1 290.451 3.260 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883430052 636753450 /nfs/dbraw/zinc/75/34/50/636753450.db2.gz MEFGCRXINVQBTP-ZACQAIPSSA-N 2 1 290.451 3.260 20 0 CGADMP CC1(C)C[C@H](C[NH2+][C@H](C[NH3+])C2CCCCC2)C(C)(C)O1 ZINC000883430372 636753535 /nfs/dbraw/zinc/75/35/35/636753535.db2.gz UABHKTNFINLIIX-HUUCEWRRSA-N 2 1 282.472 3.077 20 0 CGADMP [NH3+][C@H]1CCCCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883437847 636756772 /nfs/dbraw/zinc/75/67/72/636756772.db2.gz CJJLGKAMROHITN-STQMWFEESA-N 2 1 260.372 3.015 20 0 CGADMP FC(F)c1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883459311 636760975 /nfs/dbraw/zinc/76/09/75/636760975.db2.gz RRBRBWXRWFQESB-UHFFFAOYSA-N 2 1 280.362 3.342 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883459311 636760983 /nfs/dbraw/zinc/76/09/83/636760983.db2.gz RRBRBWXRWFQESB-UHFFFAOYSA-N 2 1 280.362 3.342 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000850528516 637106562 /nfs/dbraw/zinc/10/65/62/637106562.db2.gz IOVPAGQORKBLMQ-DLBZAZTESA-N 2 1 288.435 3.017 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000850539572 637113962 /nfs/dbraw/zinc/11/39/62/637113962.db2.gz DIEMFOBJDPPYPM-ROUUACIJSA-N 2 1 274.452 3.328 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885953690 637329644 /nfs/dbraw/zinc/32/96/44/637329644.db2.gz CWWWPTQUXBWXIT-OUOZUETKSA-N 2 1 276.399 3.160 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C\c1cccc(F)c1 ZINC000885968834 637336900 /nfs/dbraw/zinc/33/69/00/637336900.db2.gz AZRQKMAAQNAEHQ-KXQLTZBTSA-N 2 1 287.382 3.270 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC(F)(F)F)C[C@@H]1C ZINC000886032680 637374628 /nfs/dbraw/zinc/37/46/28/637374628.db2.gz LLMWPZMHOIMHFP-WDEREUQCSA-N 2 1 284.391 3.044 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC(F)(F)F)C[C@@H]1C ZINC000886032680 637374630 /nfs/dbraw/zinc/37/46/30/637374630.db2.gz LLMWPZMHOIMHFP-WDEREUQCSA-N 2 1 284.391 3.044 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC(F)(F)F)C[C@@H]1C ZINC000886032680 637374635 /nfs/dbraw/zinc/37/46/35/637374635.db2.gz LLMWPZMHOIMHFP-WDEREUQCSA-N 2 1 284.391 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCCCC2)C[C@H]1C ZINC000886032544 637375809 /nfs/dbraw/zinc/37/58/09/637375809.db2.gz IPGUHNSXABXJRT-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CCCCC2)C[C@H]1C ZINC000886032544 637375815 /nfs/dbraw/zinc/37/58/15/637375815.db2.gz IPGUHNSXABXJRT-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CCCCC2)C[C@H]1C ZINC000886032544 637375822 /nfs/dbraw/zinc/37/58/22/637375822.db2.gz IPGUHNSXABXJRT-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000886069946 637398971 /nfs/dbraw/zinc/39/89/71/637398971.db2.gz MQITZTIXCWFVMP-PQEBFOHHSA-N 2 1 264.457 3.085 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886121008 637423891 /nfs/dbraw/zinc/42/38/91/637423891.db2.gz SKXUNJWJOLTPAI-OAGGEKHMSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886121008 637423897 /nfs/dbraw/zinc/42/38/97/637423897.db2.gz SKXUNJWJOLTPAI-OAGGEKHMSA-N 2 1 270.461 3.044 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886153417 637439023 /nfs/dbraw/zinc/43/90/23/637439023.db2.gz GDGZCKHQSRGHBH-KRWDZBQOSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC1(C)C ZINC000886343439 637507341 /nfs/dbraw/zinc/50/73/41/637507341.db2.gz XSQVNSOZLQALIQ-NVXWUHKLSA-N 2 1 294.483 3.188 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886522596 637551955 /nfs/dbraw/zinc/55/19/55/637551955.db2.gz MVGMADLWSRJBLL-AOCRQIFASA-N 3 1 295.515 3.103 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000886719827 637671242 /nfs/dbraw/zinc/67/12/42/637671242.db2.gz IZGSGUKZPRBDOU-INIZCTEOSA-N 2 1 292.467 3.038 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)n1 ZINC000852752812 637706660 /nfs/dbraw/zinc/70/66/60/637706660.db2.gz MMDNUMIRTSYDRL-ZDUSSCGKSA-N 2 1 293.842 3.007 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000886876142 637715196 /nfs/dbraw/zinc/71/51/96/637715196.db2.gz OAWXTIUWZKLSHN-QAPCUYQASA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCCC1 ZINC000854224840 638027451 /nfs/dbraw/zinc/02/74/51/638027451.db2.gz ZPQDNIOEZRMOHJ-ZDUSSCGKSA-N 2 1 280.412 3.224 20 0 CGADMP COc1cccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000924566271 638364538 /nfs/dbraw/zinc/36/45/38/638364538.db2.gz ZMEVKPOZSHYPQG-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924616677 638376501 /nfs/dbraw/zinc/37/65/01/638376501.db2.gz FMDKRSUBRAUMLM-MRXNPFEDSA-N 2 1 291.483 3.129 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924616677 638376504 /nfs/dbraw/zinc/37/65/04/638376504.db2.gz FMDKRSUBRAUMLM-MRXNPFEDSA-N 3 1 291.483 3.129 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924616677 638376510 /nfs/dbraw/zinc/37/65/10/638376510.db2.gz FMDKRSUBRAUMLM-MRXNPFEDSA-N 3 1 291.483 3.129 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)[NH+](C)C ZINC000924633150 638380804 /nfs/dbraw/zinc/38/08/04/638380804.db2.gz NHBOUFNAPUUHIN-BZSNNMDCSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CO[C@@H](C)[C@H]1C ZINC000924655904 638383722 /nfs/dbraw/zinc/38/37/22/638383722.db2.gz FESWMSYJXJDOSS-VKJFTORMSA-N 2 1 290.451 3.040 20 0 CGADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(F)(F)c1ccccc1 ZINC000924965777 638432613 /nfs/dbraw/zinc/43/26/13/638432613.db2.gz YSWCZDADPIMWFU-ZDUSSCGKSA-N 2 1 282.378 3.098 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924964599 638433136 /nfs/dbraw/zinc/43/31/36/638433136.db2.gz RHIVMVYTWFIQQM-PBHCIXSXSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924964599 638433142 /nfs/dbraw/zinc/43/31/42/638433142.db2.gz RHIVMVYTWFIQQM-PBHCIXSXSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925022567 638438505 /nfs/dbraw/zinc/43/85/05/638438505.db2.gz HKCHAEDTWPOUPP-ZACQAIPSSA-N 2 1 296.499 3.028 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000925224288 638478621 /nfs/dbraw/zinc/47/86/21/638478621.db2.gz ZFIYWTPHADIDGB-JMSVASOKSA-N 2 1 293.842 3.185 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(OC)n1 ZINC000925221615 638479176 /nfs/dbraw/zinc/47/91/76/638479176.db2.gz NKOIPPREKLQYAE-ZNMIVQPWSA-N 2 1 291.439 3.004 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000925556040 638527266 /nfs/dbraw/zinc/52/72/66/638527266.db2.gz JNTANVRACQIJEE-QOKNQOGYSA-N 2 1 296.414 3.231 20 0 CGADMP C[C@@H]([NH2+]Cc1ncccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925595774 638539917 /nfs/dbraw/zinc/53/99/17/638539917.db2.gz BCOJQXFSPJXZAK-CYBMUJFWSA-N 2 1 287.382 3.133 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCC(F)(F)F)c1ccccc1 ZINC000925604300 638542609 /nfs/dbraw/zinc/54/26/09/638542609.db2.gz IVRRZRYIGVWAGP-ZYHUDNBSSA-N 2 1 260.303 3.007 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1ccccc1 ZINC000925609867 638543667 /nfs/dbraw/zinc/54/36/67/638543667.db2.gz WUCGVVFIBPDQBJ-HBUWYVDXSA-N 2 1 284.403 3.001 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925604353 638543792 /nfs/dbraw/zinc/54/37/92/638543792.db2.gz JUSXMMUYJGJEQT-ULQDDVLXSA-N 2 1 270.420 3.197 20 0 CGADMP c1c2ccccc2sc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925674496 638564812 /nfs/dbraw/zinc/56/48/12/638564812.db2.gz ARXONOQCROCCDH-MRXNPFEDSA-N 2 1 286.444 3.318 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925706942 638573347 /nfs/dbraw/zinc/57/33/47/638573347.db2.gz PGFNGWAUDIUMJU-DLTWYDFYSA-N 2 1 276.399 3.119 20 0 CGADMP C1=C[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000925733819 638587862 /nfs/dbraw/zinc/58/78/62/638587862.db2.gz YDSKDUBUWPQBHH-USXIJHARSA-N 2 1 256.393 3.036 20 0 CGADMP c1cn2c([nH+]1)CC[C@H]([NH2+]C1CC(Sc3ccccc3)C1)C2 ZINC000925815752 638620798 /nfs/dbraw/zinc/62/07/98/638620798.db2.gz ZFMFOPYAOBTYPQ-HLIUYOAVSA-N 2 1 299.443 3.111 20 0 CGADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925821762 638620970 /nfs/dbraw/zinc/62/09/70/638620970.db2.gz IOBUTYWKAQQPBI-WLGOAYHESA-N 2 1 270.420 3.114 20 0 CGADMP CCSc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925835039 638627363 /nfs/dbraw/zinc/62/73/63/638627363.db2.gz LKKIWVCHFGYJHJ-MRXNPFEDSA-N 2 1 290.476 3.215 20 0 CGADMP Cc1ccc(OC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858115791 638635642 /nfs/dbraw/zinc/63/56/42/638635642.db2.gz LZHHQJAMAKRKHG-CVEARBPZSA-N 2 1 290.451 3.225 20 0 CGADMP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858131526 638639347 /nfs/dbraw/zinc/63/93/47/638639347.db2.gz XXAJYLXKDFSUNR-INIZCTEOSA-N 2 1 289.467 3.105 20 0 CGADMP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858131526 638639351 /nfs/dbraw/zinc/63/93/51/638639351.db2.gz XXAJYLXKDFSUNR-INIZCTEOSA-N 2 1 289.467 3.105 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926446291 638772698 /nfs/dbraw/zinc/77/26/98/638772698.db2.gz COJOIPDAPAJMMR-HOTGVXAUSA-N 2 1 291.483 3.128 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926446291 638772700 /nfs/dbraw/zinc/77/27/00/638772700.db2.gz COJOIPDAPAJMMR-HOTGVXAUSA-N 2 1 291.483 3.128 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000926587552 638788337 /nfs/dbraw/zinc/78/83/37/638788337.db2.gz NEMJLANWNHCQHW-HZPDHXFCSA-N 2 1 270.436 3.367 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926646256 638794481 /nfs/dbraw/zinc/79/44/81/638794481.db2.gz WFNKLSNOESSJHE-OAHLLOKOSA-N 2 1 292.471 3.237 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926646256 638794482 /nfs/dbraw/zinc/79/44/82/638794482.db2.gz WFNKLSNOESSJHE-OAHLLOKOSA-N 2 1 292.471 3.237 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000926897260 638822752 /nfs/dbraw/zinc/82/27/52/638822752.db2.gz HEGCTHZODXBNMS-GUTXKFCHSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926897260 638822754 /nfs/dbraw/zinc/82/27/54/638822754.db2.gz HEGCTHZODXBNMS-GUTXKFCHSA-N 2 1 264.388 3.267 20 0 CGADMP COc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000929470624 638926953 /nfs/dbraw/zinc/92/69/53/638926953.db2.gz OTWFXENLVFESCO-UHFFFAOYSA-N 2 1 290.451 3.308 20 0 CGADMP COc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000929470624 638926954 /nfs/dbraw/zinc/92/69/54/638926954.db2.gz OTWFXENLVFESCO-UHFFFAOYSA-N 2 1 290.451 3.308 20 0 CGADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C[C@@H]21 ZINC000929719317 638944756 /nfs/dbraw/zinc/94/47/56/638944756.db2.gz NJOBQWHKKMSBNT-YHUYYLMFSA-N 2 1 298.421 3.086 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)[nH]1 ZINC000929785518 638951151 /nfs/dbraw/zinc/95/11/51/638951151.db2.gz AYCYCTUSXPDDFV-ZBEGNZNMSA-N 2 1 255.365 3.220 20 0 CGADMP Cc1nc(C)c(CN2C[C@H](C)[C@H]2c2ccccc2)[nH]1 ZINC000929785518 638951153 /nfs/dbraw/zinc/95/11/53/638951153.db2.gz AYCYCTUSXPDDFV-ZBEGNZNMSA-N 2 1 255.365 3.220 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2C)[C@@H](C)C1 ZINC000930000023 638967500 /nfs/dbraw/zinc/96/75/00/638967500.db2.gz LQWQDZWEGRLLPA-WMLDXEAASA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC3(CCC3)O2)[C@H](C)C1 ZINC000929998716 638967741 /nfs/dbraw/zinc/96/77/41/638967741.db2.gz GAIZRSOALHZWBK-ZACQAIPSSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)SCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212454 639110644 /nfs/dbraw/zinc/11/06/44/639110644.db2.gz KRFWRAFARUXSEZ-UHFFFAOYSA-N 2 1 280.481 3.322 20 0 CGADMP Cc1cnc([C@@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000859213687 639110911 /nfs/dbraw/zinc/11/09/11/639110911.db2.gz ZCRHHYSWUFYLBS-OAHLLOKOSA-N 2 1 298.434 3.040 20 0 CGADMP Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000859213687 639110915 /nfs/dbraw/zinc/11/09/15/639110915.db2.gz ZCRHHYSWUFYLBS-OAHLLOKOSA-N 2 1 298.434 3.040 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CCCSC(C)(C)C)C[C@@]2(C)C1 ZINC000931316537 639133728 /nfs/dbraw/zinc/13/37/28/639133728.db2.gz JAMVOSLEEJOTQK-HZPDHXFCSA-N 2 1 284.513 3.182 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C)([NH+](C)C)CC2)cc1C ZINC000931352402 639139511 /nfs/dbraw/zinc/13/95/11/639139511.db2.gz KLNGOGQAWLAFSK-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP Nc1cc[nH+]c2c1C[N@H+](CC[C@@H]1CCc3ccccc31)CC2 ZINC000931516612 639163605 /nfs/dbraw/zinc/16/36/05/639163605.db2.gz WBRLPWWXQGUSRS-HNNXBMFYSA-N 2 1 293.414 3.142 20 0 CGADMP Nc1cc[nH+]c2c1C[N@@H+](CC[C@@H]1CCc3ccccc31)CC2 ZINC000931516612 639163608 /nfs/dbraw/zinc/16/36/08/639163608.db2.gz WBRLPWWXQGUSRS-HNNXBMFYSA-N 2 1 293.414 3.142 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000859564457 639164025 /nfs/dbraw/zinc/16/40/25/639164025.db2.gz DUMHFVYUMBMZKX-RDTXWAMCSA-N 2 1 298.434 3.354 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC000932167458 639282807 /nfs/dbraw/zinc/28/28/07/639282807.db2.gz UMRHCALSHHBULZ-MRXNPFEDSA-N 2 1 293.455 3.251 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC000932167458 639282812 /nfs/dbraw/zinc/28/28/12/639282812.db2.gz UMRHCALSHHBULZ-MRXNPFEDSA-N 2 1 293.455 3.251 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1C ZINC000932573511 639358747 /nfs/dbraw/zinc/35/87/47/639358747.db2.gz VLMXNVLJSODERB-AWEZNQCLSA-N 2 1 287.407 3.249 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932890421 639394379 /nfs/dbraw/zinc/39/43/79/639394379.db2.gz KTCOMGWVXBRUQQ-IAGOWNOFSA-N 2 1 273.424 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932890421 639394387 /nfs/dbraw/zinc/39/43/87/639394387.db2.gz KTCOMGWVXBRUQQ-IAGOWNOFSA-N 2 1 273.424 3.092 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933916334 639505784 /nfs/dbraw/zinc/50/57/84/639505784.db2.gz XYWPXKXCRKJDJT-INIZCTEOSA-N 2 1 293.480 3.189 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933916334 639505791 /nfs/dbraw/zinc/50/57/91/639505791.db2.gz XYWPXKXCRKJDJT-INIZCTEOSA-N 2 1 293.480 3.189 20 0 CGADMP C[C@H](CC[NH2+]C[C@H]1CCC=CO1)[N@@H+](C)Cc1ccccc1 ZINC000194497280 640535221 /nfs/dbraw/zinc/53/52/21/640535221.db2.gz BNDHXASSAFWUSY-SJLPKXTDSA-N 2 1 288.435 3.179 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000250820230 640817349 /nfs/dbraw/zinc/81/73/49/640817349.db2.gz RQDAHPARIHOGDC-VYDXJSESSA-N 2 1 270.376 3.229 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415146564 640859991 /nfs/dbraw/zinc/85/99/91/640859991.db2.gz YZDZMQCHJFFUOO-ZWKOTPCHSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415146564 640859993 /nfs/dbraw/zinc/85/99/93/640859993.db2.gz YZDZMQCHJFFUOO-ZWKOTPCHSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252858388 640865539 /nfs/dbraw/zinc/86/55/39/640865539.db2.gz LVUOIJLGPUVDOU-RYQLBKOJSA-N 2 1 288.435 3.033 20 0 CGADMP COc1ccc2[nH+]c(NC3(C)CC[NH2+]CC3)cc(C)c2c1 ZINC001157401827 805807854 /nfs/dbraw/zinc/80/78/54/805807854.db2.gz UEFVLWGOQUEZHZ-UHFFFAOYSA-N 2 1 285.391 3.106 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC001253096694 806166342 /nfs/dbraw/zinc/16/63/42/806166342.db2.gz VJJPJKHPGSKHMP-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1cc[nH+]c(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC001161131807 806352737 /nfs/dbraw/zinc/35/27/37/806352737.db2.gz YEMWBKUNUXGOOT-UHFFFAOYSA-N 2 1 297.402 3.172 20 0 CGADMP [NH3+]C1(CC2CCC2)CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC001161571571 806396026 /nfs/dbraw/zinc/39/60/26/806396026.db2.gz ONFNLIXGGMTMTR-UHFFFAOYSA-N 2 1 299.462 3.448 20 0 CGADMP CC[N@@H+](CCn1ccnc1)C1CCc2ccccc2CC1 ZINC001254463202 806411130 /nfs/dbraw/zinc/41/11/30/806411130.db2.gz OMFRQTLNXQPGER-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254499728 806421054 /nfs/dbraw/zinc/42/10/54/806421054.db2.gz OWZRNIBLKYTONX-MRXNPFEDSA-N 2 1 276.424 3.048 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)c2cccc(F)c2)CC1 ZINC001254506088 806424861 /nfs/dbraw/zinc/42/48/61/806424861.db2.gz PBDNDHQHNFCCEE-HNNXBMFYSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC001254510296 806430232 /nfs/dbraw/zinc/43/02/32/806430232.db2.gz UVBMZBMVVZVYQT-INIZCTEOSA-N 2 1 290.451 3.438 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001254910397 806505033 /nfs/dbraw/zinc/50/50/33/806505033.db2.gz IUPSDXBSZYPNAJ-BRWVUGGUSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@@H]1CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135942 806551886 /nfs/dbraw/zinc/55/18/86/806551886.db2.gz GKGJOSUMMFZBKE-BGTYHANMSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@@H]1CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135942 806551890 /nfs/dbraw/zinc/55/18/90/806551890.db2.gz GKGJOSUMMFZBKE-BGTYHANMSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@@H]1CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135942 806551896 /nfs/dbraw/zinc/55/18/96/806551896.db2.gz GKGJOSUMMFZBKE-BGTYHANMSA-N 2 1 270.420 3.276 20 0 CGADMP [NH3+][C@H]1CCC[C@H](Nc2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC001162391213 806573219 /nfs/dbraw/zinc/57/32/19/806573219.db2.gz ANECKUUDAJRAPR-RYUDHWBXSA-N 2 1 284.407 3.124 20 0 CGADMP CC1(C)CCC([NH+]2CCC([NH3+])(c3cccnc3)CC2)CC1 ZINC001255301367 806600098 /nfs/dbraw/zinc/60/00/98/806600098.db2.gz PMHGDXDAYOFMOG-UHFFFAOYSA-N 2 1 287.451 3.300 20 0 CGADMP FCC1([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255381990 806630176 /nfs/dbraw/zinc/63/01/76/806630176.db2.gz RFEWTVKPKRECLT-MRXNPFEDSA-N 2 1 276.399 3.133 20 0 CGADMP FCC1([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255381990 806630181 /nfs/dbraw/zinc/63/01/81/806630181.db2.gz RFEWTVKPKRECLT-MRXNPFEDSA-N 2 1 276.399 3.133 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CCC3)CC2)cc1 ZINC001255382825 806630517 /nfs/dbraw/zinc/63/05/17/806630517.db2.gz XFXSSFCAINVQPD-SFHVURJKSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@@H](CC(F)(F)F)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001255632463 806683368 /nfs/dbraw/zinc/68/33/68/806683368.db2.gz AKKUQCOPFJZXRK-NSHDSACASA-N 2 1 266.351 3.311 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036936544 798853405 /nfs/dbraw/zinc/85/34/05/798853405.db2.gz AGJXFSBLGPPAMH-OHRKKDJYSA-N 2 1 292.854 3.486 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649506 798871605 /nfs/dbraw/zinc/87/16/05/798871605.db2.gz CFEXMPIRNFYGRI-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1nc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc2o1 ZINC001255666229 806700182 /nfs/dbraw/zinc/70/01/82/806700182.db2.gz WHVOUKPPLVMNGX-MQVJKMGUSA-N 2 1 299.418 3.241 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255689276 806706596 /nfs/dbraw/zinc/70/65/96/806706596.db2.gz IXUGJOZZBUMLJB-NWDGAFQWSA-N 2 1 266.351 3.168 20 0 CGADMP COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH3+])C3)[nH+]c2c1 ZINC000148402068 799052477 /nfs/dbraw/zinc/05/24/77/799052477.db2.gz HOVYVEHCGNPVCR-STQMWFEESA-N 2 1 285.391 3.234 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]cc4)[C@@H]3C2)cc1 ZINC000309743338 799220750 /nfs/dbraw/zinc/22/07/50/799220750.db2.gz WTKMRKSDPYDYIX-QXAKKESOSA-N 2 1 293.414 3.404 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC000315751895 799238521 /nfs/dbraw/zinc/23/85/21/799238521.db2.gz GRUJXUHSEIHOHH-CABCVRRESA-N 2 1 298.430 3.408 20 0 CGADMP Cc1ccc(SC[C@@H](C)n2c[nH+]cc2CC[NH3+])cc1 ZINC001255749828 806734259 /nfs/dbraw/zinc/73/42/59/806734259.db2.gz JRMHWTZEKZBSGD-CYBMUJFWSA-N 2 1 275.421 3.046 20 0 CGADMP c1ccc(N2CCCC2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000378882647 799345065 /nfs/dbraw/zinc/34/50/65/799345065.db2.gz IVXCTTHBHYZQTF-UHFFFAOYSA-N 2 1 299.462 3.003 20 0 CGADMP C[C@H]1CC([N@H+]2CCC3(C2)CCCCC3)C[C@H](C)[NH2+]1 ZINC000381112912 799372301 /nfs/dbraw/zinc/37/23/01/799372301.db2.gz VAYBCRLSJILUGI-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000381951870 799391318 /nfs/dbraw/zinc/39/13/18/799391318.db2.gz CWVRRDKVHOXYDA-ZGRYLRDCSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396722238 799510135 /nfs/dbraw/zinc/51/01/35/799510135.db2.gz ULAQQKCJOZHDFB-JMSVASOKSA-N 2 1 266.816 3.001 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C12CCC2 ZINC000405213920 799582470 /nfs/dbraw/zinc/58/24/70/799582470.db2.gz FBZDBVRMNSSWCE-CFVMTHIKSA-N 2 1 292.423 3.222 20 0 CGADMP Cc1cccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000688009014 799743699 /nfs/dbraw/zinc/74/36/99/799743699.db2.gz ZLZXBYFMXJJBPQ-UHFFFAOYSA-N 2 1 286.444 3.334 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC001255943524 806791628 /nfs/dbraw/zinc/79/16/28/806791628.db2.gz NVTSWNXKHWHAAW-KGLIPLIRSA-N 2 1 264.413 3.163 20 0 CGADMP C([C@@H]1CCCC[NH2+]1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708762657 799994326 /nfs/dbraw/zinc/99/43/26/799994326.db2.gz AOCMWXOQTCOLDI-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@]12C[C@@H]1CCCC2 ZINC000709171313 800004382 /nfs/dbraw/zinc/00/43/82/800004382.db2.gz QVLXRTPYYZDDTI-YHUYYLMFSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)O ZINC001255951878 806795595 /nfs/dbraw/zinc/79/55/95/806795595.db2.gz BLKBZDFAFZMHKN-WBVHZDCISA-N 2 1 292.467 3.209 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccnc(F)c1)C1CC1 ZINC001255953732 806796622 /nfs/dbraw/zinc/79/66/22/806796622.db2.gz NJWYDSBXRONNTM-CXAGYDPISA-N 2 1 293.430 3.382 20 0 CGADMP Clc1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000710353160 800034050 /nfs/dbraw/zinc/03/40/50/800034050.db2.gz NBYPRUFPTGWPJN-GFCCVEGCSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000710353160 800034055 /nfs/dbraw/zinc/03/40/55/800034055.db2.gz NBYPRUFPTGWPJN-GFCCVEGCSA-N 2 1 299.871 3.008 20 0 CGADMP Cc1cc(C)cc(OCC[N@@H+](C)CCCCCC[NH3+])c1 ZINC000710840825 800039635 /nfs/dbraw/zinc/03/96/35/800039635.db2.gz BQDTXCKMWRPYQU-UHFFFAOYSA-N 2 1 278.440 3.133 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC001255956454 806798634 /nfs/dbraw/zinc/79/86/34/806798634.db2.gz JZVABUADHLFKDL-CQSZACIVSA-N 2 1 266.404 3.378 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC001255956454 806798636 /nfs/dbraw/zinc/79/86/36/806798636.db2.gz JZVABUADHLFKDL-CQSZACIVSA-N 2 1 266.404 3.378 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC001255954507 806798900 /nfs/dbraw/zinc/79/89/00/806798900.db2.gz WVMOFPGBVPWFJW-UONOGXRCSA-N 2 1 292.423 3.186 20 0 CGADMP CC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709691 800179173 /nfs/dbraw/zinc/17/91/73/800179173.db2.gz CPTWEKNWMGTHPD-UBDQQSCGSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]C1CC[NH+](C3CC3)CC1)C2(C)C ZINC001256071596 806811479 /nfs/dbraw/zinc/81/14/79/806811479.db2.gz GGNWJVMGEAOGOO-WRFANHODSA-N 2 1 276.468 3.274 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1(CC2CCC2)CC1 ZINC001256072024 806811586 /nfs/dbraw/zinc/81/15/86/806811586.db2.gz GVXTWWILXXHLHU-UHFFFAOYSA-N 2 1 262.441 3.173 20 0 CGADMP C1CC1[NH+]1CCC([N@@H+]2CCCC3(CCCC3)C2)CC1 ZINC001256075801 806813292 /nfs/dbraw/zinc/81/32/92/806813292.db2.gz QYRBOOAPURUDQJ-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP C1CC1[NH+]1CCC([N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001256075801 806813298 /nfs/dbraw/zinc/81/32/98/806813298.db2.gz QYRBOOAPURUDQJ-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C(F)(F)F ZINC000720858254 800269308 /nfs/dbraw/zinc/26/93/08/800269308.db2.gz SXJGQYQVLCRFPO-QWHCGFSZSA-N 2 1 278.362 3.026 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723563950 800330365 /nfs/dbraw/zinc/33/03/65/800330365.db2.gz BQACMUXEYAXBAI-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723674883 800336466 /nfs/dbraw/zinc/33/64/66/800336466.db2.gz GBPGDNJDSYRLTL-NWDGAFQWSA-N 2 1 297.240 3.181 20 0 CGADMP CCC(C)(C)C1CCC([NH+]2CC3(C2)CC[NH2+]C3)CC1 ZINC000724057027 800354851 /nfs/dbraw/zinc/35/48/51/800354851.db2.gz ONTQLWDUFIPTJN-UHFFFAOYSA-N 2 1 264.457 3.277 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)CC1 ZINC001256198987 806846597 /nfs/dbraw/zinc/84/65/97/806846597.db2.gz FFJNEFKLZQQABY-OAHLLOKOSA-N 2 1 298.352 3.377 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C12CCC(CC1)C2 ZINC000903129921 800594519 /nfs/dbraw/zinc/59/45/19/800594519.db2.gz JTGUQDXPEUQIAG-XSYSFNKCSA-N 2 1 274.452 3.314 20 0 CGADMP C[NH+]1CCC([NH2+]CCCCc2ccc(Cl)cc2)CC1 ZINC001256199143 806846512 /nfs/dbraw/zinc/84/65/12/806846512.db2.gz JKZYOCICFREHGQ-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C23CC(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256523480 806909442 /nfs/dbraw/zinc/90/94/42/806909442.db2.gz OWZFBLJCEHCSSI-YKWDICOMSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C23CC(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256523480 806909446 /nfs/dbraw/zinc/90/94/46/806909446.db2.gz OWZFBLJCEHCSSI-YKWDICOMSA-N 2 1 270.420 3.182 20 0 CGADMP F[C@H]1CCCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256604204 806923701 /nfs/dbraw/zinc/92/37/01/806923701.db2.gz MVZFKILWFQJUHP-KRWDZBQOSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@H]1CCCCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256604204 806923706 /nfs/dbraw/zinc/92/37/06/806923706.db2.gz MVZFKILWFQJUHP-KRWDZBQOSA-N 2 1 290.426 3.475 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256695230 806949986 /nfs/dbraw/zinc/94/99/86/806949986.db2.gz RMCZNOAAJHVVIW-ADKAHSJRSA-N 2 1 294.483 3.284 20 0 CGADMP Cc1cccc2cc[nH+]c(N3C[C@@H](C[NH3+])CC[C@H]3C)c12 ZINC001164474797 806951569 /nfs/dbraw/zinc/95/15/69/806951569.db2.gz VOCQFPRBNHKXHT-ZIAGYGMSSA-N 2 1 269.392 3.107 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575817 807208532 /nfs/dbraw/zinc/20/85/32/807208532.db2.gz IDVSDBHWOLIHFI-HUUCEWRRSA-N 2 1 254.462 3.332 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575817 807208537 /nfs/dbraw/zinc/20/85/37/807208537.db2.gz IDVSDBHWOLIHFI-HUUCEWRRSA-N 2 1 254.462 3.332 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575817 807208543 /nfs/dbraw/zinc/20/85/43/807208543.db2.gz IDVSDBHWOLIHFI-HUUCEWRRSA-N 2 1 254.462 3.332 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC001116293978 802326222 /nfs/dbraw/zinc/32/62/22/802326222.db2.gz NUFYGQBLVYZKAJ-LTIDMASMSA-N 2 1 264.457 3.418 20 0 CGADMP C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)OC1CCCCCC1 ZINC001118263720 802543656 /nfs/dbraw/zinc/54/36/56/802543656.db2.gz LWDAXEYAKKYOLZ-UHFFFAOYSA-N 2 1 294.483 3.191 20 0 CGADMP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001118350035 802551241 /nfs/dbraw/zinc/55/12/41/802551241.db2.gz HEXZAUKNZDOHPH-UHFFFAOYSA-N 2 1 288.439 3.053 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cnc(F)cc1C ZINC001119943053 802712107 /nfs/dbraw/zinc/71/21/07/802712107.db2.gz XBPHWMPCYQMHMF-UHFFFAOYSA-N 2 1 281.419 3.131 20 0 CGADMP c1ccc2c(c1)CC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC001120256711 802736627 /nfs/dbraw/zinc/73/66/27/802736627.db2.gz PFNRTUVNKJATEB-WELJNPPOSA-N 2 1 296.458 3.464 20 0 CGADMP CCc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)[nH+]c1 ZINC001121015080 802800410 /nfs/dbraw/zinc/80/04/10/802800410.db2.gz YKHVVLFYZACMOL-UHFFFAOYSA-N 2 1 282.391 3.120 20 0 CGADMP CCCC[N@@H+](CC)CCN[C@H]1CCC[NH+](C2CCCC2)C1 ZINC001256899754 807003125 /nfs/dbraw/zinc/00/31/25/807003125.db2.gz WBUHBNZKCKZYIQ-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CCCC[NH+](CC)CCN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256899754 807003129 /nfs/dbraw/zinc/00/31/29/807003129.db2.gz WBUHBNZKCKZYIQ-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CCCC[NH+](CC)CCN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256899754 807003138 /nfs/dbraw/zinc/00/31/38/807003138.db2.gz WBUHBNZKCKZYIQ-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256904147 807004627 /nfs/dbraw/zinc/00/46/27/807004627.db2.gz CVIXZCZONHKRBI-LJQANCHMSA-N 2 1 298.474 3.398 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256904147 807004633 /nfs/dbraw/zinc/00/46/33/807004633.db2.gz CVIXZCZONHKRBI-LJQANCHMSA-N 2 1 298.474 3.398 20 0 CGADMP CC1(C)CC([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904963 807004762 /nfs/dbraw/zinc/00/47/62/807004762.db2.gz PLWDRKTYOLWSHD-CYBMUJFWSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CC([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904963 807004767 /nfs/dbraw/zinc/00/47/67/807004767.db2.gz PLWDRKTYOLWSHD-CYBMUJFWSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280540 812928464 /nfs/dbraw/zinc/92/84/64/812928464.db2.gz BUWDVAAAUCHGHW-SFHVURJKSA-N 2 1 299.418 3.353 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@@H]4CCCN(C)[C@@H]4C3)c[nH]c2c1 ZINC001136976178 803665827 /nfs/dbraw/zinc/66/58/27/803665827.db2.gz ZLYNQCODODYIQC-KBXCAEBGSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccc2c(CN3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976178 803665830 /nfs/dbraw/zinc/66/58/30/803665830.db2.gz ZLYNQCODODYIQC-KBXCAEBGSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccc2c(CN3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976178 803665831 /nfs/dbraw/zinc/66/58/31/803665831.db2.gz ZLYNQCODODYIQC-KBXCAEBGSA-N 2 1 283.419 3.002 20 0 CGADMP c1cn(-c2cc[nH+]c(-c3ccc([C@H]4CCC[NH2+]4)cc3)c2)cn1 ZINC001245347934 803706909 /nfs/dbraw/zinc/70/69/09/803706909.db2.gz DLNLBCBDVGATAA-QGZVFWFLSA-N 2 1 290.370 3.359 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137378936 803726201 /nfs/dbraw/zinc/72/62/01/803726201.db2.gz HXQVLNLITMUPGM-UHFFFAOYSA-N 2 1 279.472 3.476 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137378936 803726205 /nfs/dbraw/zinc/72/62/05/803726205.db2.gz HXQVLNLITMUPGM-UHFFFAOYSA-N 2 1 279.472 3.476 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1[nH]c2ccccc2c1C ZINC001138399743 803917694 /nfs/dbraw/zinc/91/76/94/803917694.db2.gz BIJNIEPLNWANBR-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP CCCCC[C@H](O)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246055211 804103987 /nfs/dbraw/zinc/10/39/87/804103987.db2.gz MCCYGSJCNHTWMU-BZSNNMDCSA-N 2 1 296.499 3.300 20 0 CGADMP CCCC[C@@H](O)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064596 804106807 /nfs/dbraw/zinc/10/68/07/804106807.db2.gz FRMBPXALMSBAJB-BZUAXINKSA-N 2 1 284.488 3.156 20 0 CGADMP Fc1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246073110 804110956 /nfs/dbraw/zinc/11/09/56/804110956.db2.gz UOLOBUOHVURWBM-OAHLLOKOSA-N 2 1 276.399 3.370 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@H](CC)[NH2+]1 ZINC001246092334 804124067 /nfs/dbraw/zinc/12/40/67/804124067.db2.gz AERLAZYDWRZHCK-WDNDVIMCSA-N 2 1 282.378 3.364 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246102504 804135726 /nfs/dbraw/zinc/13/57/26/804135726.db2.gz PMTAIHYTPYFEAN-KBAYOESNSA-N 2 1 274.452 3.376 20 0 CGADMP CCCCCC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246110690 804141876 /nfs/dbraw/zinc/14/18/76/804141876.db2.gz NUZRWVKFSZABRX-UYSNPLJNSA-N 2 1 252.446 3.467 20 0 CGADMP CCCC[C@H](CCC)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246111806 804143444 /nfs/dbraw/zinc/14/34/44/804143444.db2.gz JSKCAHPSJCVICW-GJZGRUSLSA-N 2 1 258.425 3.417 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113382 804145273 /nfs/dbraw/zinc/14/52/73/804145273.db2.gz NZTZIVVYKGTWAH-QZTJIDSGSA-N 2 1 292.442 3.469 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246118377 804151585 /nfs/dbraw/zinc/15/15/85/804151585.db2.gz PZGMFAIAMORMBZ-TYNCELHUSA-N 2 1 298.883 3.408 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246133469 804158858 /nfs/dbraw/zinc/15/88/58/804158858.db2.gz JKFICERTGZJHES-VBNZEHGJSA-N 2 1 278.827 3.145 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159937 804175893 /nfs/dbraw/zinc/17/58/93/804175893.db2.gz LPRIHQYIEORHHC-VSZNYVQBSA-N 2 1 296.499 3.338 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160470 804177060 /nfs/dbraw/zinc/17/70/60/804177060.db2.gz NBMHWAKAVDZNOB-BRSBDYLESA-N 2 1 296.499 3.482 20 0 CGADMP CCCC[C@@H](CCC)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160621 804177699 /nfs/dbraw/zinc/17/76/99/804177699.db2.gz NTOAXGARVAVOKG-IXDOHACOSA-N 2 1 282.472 3.236 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2 ZINC001246189038 804198654 /nfs/dbraw/zinc/19/86/54/804198654.db2.gz GZZCVGNZJGOAMH-STQMWFEESA-N 2 1 299.245 3.192 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H](C)C[NH3+] ZINC001246198200 804205370 /nfs/dbraw/zinc/20/53/70/804205370.db2.gz DNIXVLADDOVDCS-ZJUUUORDSA-N 2 1 275.223 3.251 20 0 CGADMP CCCC[C@H](CC)COCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246218022 804213472 /nfs/dbraw/zinc/21/34/72/804213472.db2.gz YMTIEOSGZIHIKK-IXDOHACOSA-N 2 1 284.488 3.340 20 0 CGADMP CCCC[C@H](CC)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246220581 804214832 /nfs/dbraw/zinc/21/48/32/804214832.db2.gz LJKXBLVJZGEPJW-QWHCGFSZSA-N 2 1 262.388 3.180 20 0 CGADMP FC(F)(F)c1cc(Cl)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC001246225401 804219537 /nfs/dbraw/zinc/21/95/37/804219537.db2.gz LIVLFUURAOFYMX-UHFFFAOYSA-N 2 1 292.732 3.200 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246231086 804224110 /nfs/dbraw/zinc/22/41/10/804224110.db2.gz OFJJMPJGWMYLQU-BBRMVZONSA-N 2 1 296.405 3.014 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246238549 804230298 /nfs/dbraw/zinc/23/02/98/804230298.db2.gz PTSGWQDTRMJNTK-GJZGRUSLSA-N 2 1 278.827 3.449 20 0 CGADMP Clc1ccc(CCC[NH2+][C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001246257558 804240505 /nfs/dbraw/zinc/24/05/05/804240505.db2.gz XTESKICTTMRTDA-ZDUSSCGKSA-N 2 1 287.234 3.268 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C(C)C)C2)c(F)c1 ZINC001246260861 804242613 /nfs/dbraw/zinc/24/26/13/804242613.db2.gz BPTWPYGAKLKQPM-DCGLDWPTSA-N 2 1 294.414 3.262 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246282223 804256380 /nfs/dbraw/zinc/25/63/80/804256380.db2.gz BBCGAGPARZDQBQ-KFNAQCHYSA-N 2 1 282.378 3.392 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C)c(C)c1 ZINC001246309148 804271750 /nfs/dbraw/zinc/27/17/50/804271750.db2.gz UMKNHNKKBWVXIK-IAGOWNOFSA-N 2 1 260.425 3.486 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246318012 804277728 /nfs/dbraw/zinc/27/77/28/804277728.db2.gz OSAOCWRBLSKBNO-NEPJUHHUSA-N 2 1 287.234 3.178 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CNCCC1(C)C ZINC001246323898 804280710 /nfs/dbraw/zinc/28/07/10/804280710.db2.gz CWFVHSBPTYRPMD-XHDPSFHLSA-N 2 1 298.833 3.388 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246323898 804280714 /nfs/dbraw/zinc/28/07/14/804280714.db2.gz CWFVHSBPTYRPMD-XHDPSFHLSA-N 2 1 298.833 3.388 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246332051 804287568 /nfs/dbraw/zinc/28/75/68/804287568.db2.gz PHZOHSUTACKZJA-JQHSSLGASA-N 2 1 274.452 3.231 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246333650 804289120 /nfs/dbraw/zinc/28/91/20/804289120.db2.gz WEJVRNAZHATRKV-WFASDCNBSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246334135 804289882 /nfs/dbraw/zinc/28/98/82/804289882.db2.gz YXTSEUIRZXSGPY-ZFWWWQNUSA-N 2 1 250.430 3.077 20 0 CGADMP C[C@]12C[C@@H]3C[C@]([NH2+][C@H]4CCC[NH2+]C4)(C1)C[C@@](C)(C3)C2 ZINC001246338055 804292420 /nfs/dbraw/zinc/29/24/20/804292420.db2.gz ZWJSISXWFMQJSR-KSWRQPAISA-N 2 1 262.441 3.077 20 0 CGADMP CCCCCCOC(=O)CCCCC[NH2+][C@H]1C[NH2+][C@@H](C)C1 ZINC001246342494 804294844 /nfs/dbraw/zinc/29/48/44/804294844.db2.gz PNJRRCSSQOAKSZ-JKSUJKDBSA-N 2 1 298.471 3.010 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]C2(c3ccccc3F)CCC2)CC[NH2+]1 ZINC001246363939 804305362 /nfs/dbraw/zinc/30/53/62/804305362.db2.gz GMECKTMKLVGZDZ-UONOGXRCSA-N 2 1 276.399 3.325 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+][C@H](CC1CC1)c1ccccc1F ZINC001246396743 804321270 /nfs/dbraw/zinc/32/12/70/804321270.db2.gz QYLNBQKJQSBTPA-BLLLJJGKSA-N 2 1 264.388 3.255 20 0 CGADMP CC(C)[NH2+]CC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001246461375 804341554 /nfs/dbraw/zinc/34/15/54/804341554.db2.gz PIDCROPXTKBQHH-GFCCVEGCSA-N 2 1 288.357 3.224 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001140026927 804355356 /nfs/dbraw/zinc/35/53/56/804355356.db2.gz QFEAFGHONKUMSP-GOEBONIOSA-N 2 1 267.376 3.165 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+](C)CC(C)C ZINC001140023831 804356682 /nfs/dbraw/zinc/35/66/82/804356682.db2.gz ZMXNXFFYMCKLMT-UHFFFAOYSA-N 2 1 257.381 3.269 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CC(C)C ZINC001140023831 804356690 /nfs/dbraw/zinc/35/66/90/804356690.db2.gz ZMXNXFFYMCKLMT-UHFFFAOYSA-N 2 1 257.381 3.269 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CC(C)C ZINC001140023831 804356699 /nfs/dbraw/zinc/35/66/99/804356699.db2.gz ZMXNXFFYMCKLMT-UHFFFAOYSA-N 2 1 257.381 3.269 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)C[C@H](C)[NH2+]1 ZINC001246495821 804361196 /nfs/dbraw/zinc/36/11/96/804361196.db2.gz BFEVORHSZVOAKN-WYFUGZQLSA-N 2 1 294.389 3.461 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246498976 804361613 /nfs/dbraw/zinc/36/16/13/804361613.db2.gz VSCQLCDSVVSMCL-ZJPYXAASSA-N 3 1 295.515 3.137 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246507470 804366108 /nfs/dbraw/zinc/36/61/08/804366108.db2.gz BQMBHNLMLQXLSQ-SIXLDLHFSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246517785 804372268 /nfs/dbraw/zinc/37/22/68/804372268.db2.gz BTFLWVDDMQXDRV-NJAFHUGGSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246519426 804374486 /nfs/dbraw/zinc/37/44/86/804374486.db2.gz NUNKYVLSGCTALN-FHERZECASA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246521181 804377469 /nfs/dbraw/zinc/37/74/69/804377469.db2.gz XSIWXJVVOGZUNN-LJISPDSOSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@H]1CCC[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246525387 804378666 /nfs/dbraw/zinc/37/86/66/804378666.db2.gz XCIIFEGNZVCDHF-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C1C[C@H]2C[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C[C@H]2C1 ZINC001246523420 804379071 /nfs/dbraw/zinc/37/90/71/804379071.db2.gz BIUBZDSGCSGRTP-OWCLPIDISA-N 2 1 262.441 3.173 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246523541 804379459 /nfs/dbraw/zinc/37/94/59/804379459.db2.gz NLOAKFCOTZQBMJ-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001246524841 804379687 /nfs/dbraw/zinc/37/96/87/804379687.db2.gz SOWBMOHWZMFQGJ-IBGZPJMESA-N 2 1 298.474 3.318 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001246523531 804379805 /nfs/dbraw/zinc/37/98/05/804379805.db2.gz NFXGZDWEYQIIER-QGZVFWFLSA-N 2 1 286.463 3.392 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246530554 804380951 /nfs/dbraw/zinc/38/09/51/804380951.db2.gz ZAYJCBLJORXSDJ-HZPDHXFCSA-N 2 1 264.388 3.034 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246528702 804381594 /nfs/dbraw/zinc/38/15/94/804381594.db2.gz ZOECOMJXVKKCPQ-IRXDYDNUSA-N 2 1 260.425 3.203 20 0 CGADMP CCC[N@@H+]([C@@H](C)CC)C1CCC2(CC[NH2+]C2)CC1 ZINC001246532150 804382474 /nfs/dbraw/zinc/38/24/74/804382474.db2.gz YRJBAXQSPAMSBF-FHERZECASA-N 2 1 252.446 3.419 20 0 CGADMP C[C@]1([NH3+])CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246532634 804383334 /nfs/dbraw/zinc/38/33/34/804383334.db2.gz XJEYTRJUBKPKTP-AVAKVYKDSA-N 2 1 284.447 3.236 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246531162 804384169 /nfs/dbraw/zinc/38/41/69/804384169.db2.gz NKMNSGBKACLLMW-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP FC1(F)CCCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246546480 804395070 /nfs/dbraw/zinc/39/50/70/804395070.db2.gz KGNHDJZBHVIRPX-UHFFFAOYSA-N 2 1 272.383 3.030 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246550263 804400912 /nfs/dbraw/zinc/40/09/12/804400912.db2.gz JGBVQJNETXSHHC-BPQIPLTHSA-N 2 1 274.452 3.315 20 0 CGADMP CC1(C)CCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246550308 804400982 /nfs/dbraw/zinc/40/09/82/804400982.db2.gz OERWVXJDSGUYSV-CQSZACIVSA-N 2 1 250.430 3.316 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552136 804401896 /nfs/dbraw/zinc/40/18/96/804401896.db2.gz RUQVSBOURXQSKB-GJZGRUSLSA-N 2 1 258.425 3.354 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552192 804402378 /nfs/dbraw/zinc/40/23/78/804402378.db2.gz SWDHZNGKAVCEQQ-IAGOWNOFSA-N 2 1 278.415 3.161 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC(C)(C)C1 ZINC001246551789 804402387 /nfs/dbraw/zinc/40/23/87/804402387.db2.gz REKLFQCQFRDOOY-YCPHGPKFSA-N 2 1 270.436 3.354 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246552053 804402805 /nfs/dbraw/zinc/40/28/05/804402805.db2.gz NPOXJQOZBOLMBZ-CZUORRHYSA-N 2 1 278.827 3.011 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246554548 804403890 /nfs/dbraw/zinc/40/38/90/804403890.db2.gz WIKGRMRTVKWPCJ-RHSMWYFYSA-N 2 1 294.389 3.025 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554159 804404595 /nfs/dbraw/zinc/40/45/95/804404595.db2.gz CSBXLLVQRIFFJE-YNEHKIRRSA-N 2 1 262.388 3.117 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246554083 804404890 /nfs/dbraw/zinc/40/48/90/804404890.db2.gz AYMCFJPGQJQBCM-SQNIBIBYSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246555336 804405030 /nfs/dbraw/zinc/40/50/30/804405030.db2.gz DPQRYAPLBUUWEV-FMKPAKJESA-N 2 1 278.415 3.064 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(O)c12 ZINC001140236269 804405302 /nfs/dbraw/zinc/40/53/02/804405302.db2.gz DNOALRNYIDIOJV-UHFFFAOYSA-N 2 1 289.423 3.037 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246557302 804405907 /nfs/dbraw/zinc/40/59/07/804405907.db2.gz KMCMWYUEUGITKO-SQNIBIBYSA-N 2 1 290.426 3.476 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246556609 804405986 /nfs/dbraw/zinc/40/59/86/804405986.db2.gz JREYSCRAFHFVIQ-ZDUSSCGKSA-N 2 1 276.415 3.363 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC001246558724 804407909 /nfs/dbraw/zinc/40/79/09/804407909.db2.gz MVFBPJZEWCHLOS-QGZVFWFLSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H]1C[N@H+](C2CC(C)(C)OC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246559575 804408286 /nfs/dbraw/zinc/40/82/86/804408286.db2.gz DCXJNBIXWXJGMG-KBPBESRZSA-N 2 1 282.472 3.029 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](C2CCCCCCC2)CCC1(F)F ZINC001246560496 804409607 /nfs/dbraw/zinc/40/96/07/804409607.db2.gz UZYZHSLCUVEASI-GFCCVEGCSA-N 2 1 260.372 3.015 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246563782 804413303 /nfs/dbraw/zinc/41/33/03/804413303.db2.gz SSGJGSVSUFBLMX-MRXNPFEDSA-N 2 1 276.399 3.180 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCCC[C@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246568084 804415533 /nfs/dbraw/zinc/41/55/33/804415533.db2.gz PUWIADWEFOJGSY-BFHYXJOUSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246569717 804417300 /nfs/dbraw/zinc/41/73/00/804417300.db2.gz SGJNCLCITPCOFA-FMKPAKJESA-N 2 1 278.415 3.064 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246575659 804422219 /nfs/dbraw/zinc/42/22/19/804422219.db2.gz KYBKIRHEDKFHIR-DZGCQCFKSA-N 2 1 272.502 3.358 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246575670 804422882 /nfs/dbraw/zinc/42/28/82/804422882.db2.gz KYBKIRHEDKFHIR-HIFRSBDPSA-N 2 1 272.502 3.358 20 0 CGADMP C[C@H]1CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1(F)F ZINC001246578744 804424391 /nfs/dbraw/zinc/42/43/91/804424391.db2.gz HRPDIWPQUHWNEJ-ZDUSSCGKSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1(F)F ZINC001246578744 804424396 /nfs/dbraw/zinc/42/43/96/804424396.db2.gz HRPDIWPQUHWNEJ-ZDUSSCGKSA-N 2 1 286.410 3.276 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246577925 804424826 /nfs/dbraw/zinc/42/48/26/804424826.db2.gz UQJDXOOXYZNXPF-DZKIICNBSA-N 2 1 270.436 3.367 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246585376 804427296 /nfs/dbraw/zinc/42/72/96/804427296.db2.gz JTROEPPWJKFHFC-SQNIBIBYSA-N 2 1 292.442 3.405 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246585376 804427300 /nfs/dbraw/zinc/42/73/00/804427300.db2.gz JTROEPPWJKFHFC-SQNIBIBYSA-N 2 1 292.442 3.405 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246590699 804433357 /nfs/dbraw/zinc/43/33/57/804433357.db2.gz KQJKXEJRNZUYGI-JHJVBQTASA-N 2 1 298.833 3.469 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246590699 804433362 /nfs/dbraw/zinc/43/33/62/804433362.db2.gz KQJKXEJRNZUYGI-JHJVBQTASA-N 2 1 298.833 3.469 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246590484 804433477 /nfs/dbraw/zinc/43/34/77/804433477.db2.gz JREPSUZUARXJIU-OWCLPIDISA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC001246594162 804435657 /nfs/dbraw/zinc/43/56/57/804435657.db2.gz DNTJSALMBVMFRT-ZVZYQTTQSA-N 2 1 272.436 3.382 20 0 CGADMP CC(C)[N@@H+]([C@@H]1CCC(C)(C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597609 804436661 /nfs/dbraw/zinc/43/66/61/804436661.db2.gz XSAZPJHJVMBJQJ-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246600395 804438940 /nfs/dbraw/zinc/43/89/40/804438940.db2.gz FUNYXLQMJMTUIW-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246608757 804443228 /nfs/dbraw/zinc/44/32/28/804443228.db2.gz JLVNASQKDLXPOB-HKUYNNGSSA-N 2 1 284.447 3.070 20 0 CGADMP CSCC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246609362 804443574 /nfs/dbraw/zinc/44/35/74/804443574.db2.gz MRJCSXJIRNWLOM-JKSUJKDBSA-N 2 1 284.513 3.374 20 0 CGADMP C1CCC2(C1)CCC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246611387 804444685 /nfs/dbraw/zinc/44/46/85/804444685.db2.gz GDHSLNIEONRSSH-ZSHCYNCHSA-N 2 1 262.441 3.316 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246610275 804445012 /nfs/dbraw/zinc/44/50/12/804445012.db2.gz MFUHWHCAROFEFK-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246610275 804445014 /nfs/dbraw/zinc/44/50/14/804445014.db2.gz MFUHWHCAROFEFK-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)C[C@@H]21 ZINC001246612139 804447458 /nfs/dbraw/zinc/44/74/58/804447458.db2.gz HNLXYMLYTPVHPF-JYYAWHABSA-N 2 1 262.441 3.029 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CCCC3(CCCC3)C1)CC2 ZINC001246614752 804448302 /nfs/dbraw/zinc/44/83/02/804448302.db2.gz PVWATQXEWITUFQ-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613939 804448366 /nfs/dbraw/zinc/44/83/66/804448366.db2.gz LTKYOLRDNIKJBY-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613939 804448371 /nfs/dbraw/zinc/44/83/71/804448371.db2.gz LTKYOLRDNIKJBY-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246614667 804448599 /nfs/dbraw/zinc/44/85/99/804448599.db2.gz UGJOUSDRKZSODO-PMACEKPBSA-N 2 1 298.474 3.318 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614662 804448623 /nfs/dbraw/zinc/44/86/23/804448623.db2.gz OUDPDZDKXGZBCT-KRWDZBQOSA-N 2 1 296.499 3.293 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246616547 804451437 /nfs/dbraw/zinc/45/14/37/804451437.db2.gz XCLSUABIFZOMGN-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP CC[C@H]1CC([N@H+]2CCC23CCCC3)C[C@H](CC)[NH2+]1 ZINC001246622076 804455211 /nfs/dbraw/zinc/45/52/11/804455211.db2.gz GEONDPOZQRTXQF-KBPBESRZSA-N 2 1 250.430 3.314 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246626465 804457164 /nfs/dbraw/zinc/45/71/64/804457164.db2.gz UNBFAOKONFXNOX-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC(C)(C)C1 ZINC001246624169 804457589 /nfs/dbraw/zinc/45/75/89/804457589.db2.gz CLVKXSJIUVOWQS-INMHGKMJSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001246628133 804459287 /nfs/dbraw/zinc/45/92/87/804459287.db2.gz ATRPVUCWUUYRMP-GFCCVEGCSA-N 2 1 296.867 3.116 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246628133 804459294 /nfs/dbraw/zinc/45/92/94/804459294.db2.gz ATRPVUCWUUYRMP-GFCCVEGCSA-N 2 1 296.867 3.116 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629580 804460495 /nfs/dbraw/zinc/46/04/95/804460495.db2.gz DXJUGLKERGKESP-FGTMMUONSA-N 2 1 272.436 3.224 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629580 804460500 /nfs/dbraw/zinc/46/05/00/804460500.db2.gz DXJUGLKERGKESP-FGTMMUONSA-N 2 1 272.436 3.224 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246629531 804460996 /nfs/dbraw/zinc/46/09/96/804460996.db2.gz FXAYKEFVNKLBBU-WBVHZDCISA-N 2 1 290.476 3.161 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246634537 804463998 /nfs/dbraw/zinc/46/39/98/804463998.db2.gz ODGDUIPOHOLOLR-QUCCMNQESA-N 2 1 298.474 3.460 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633979 804464101 /nfs/dbraw/zinc/46/41/01/804464101.db2.gz GGSYZYVTBCASGE-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634490 804464117 /nfs/dbraw/zinc/46/41/17/804464117.db2.gz OAISZHJRZVIDHY-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246636966 804465909 /nfs/dbraw/zinc/46/59/09/804465909.db2.gz HPDCCPKOPMDTGP-BZUAXINKSA-N 2 1 262.441 3.316 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246634967 804466317 /nfs/dbraw/zinc/46/63/17/804466317.db2.gz INYCYUHWBGBSSF-ZBCRRDGASA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246634967 804466323 /nfs/dbraw/zinc/46/63/23/804466323.db2.gz INYCYUHWBGBSSF-ZBCRRDGASA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246640362 804467520 /nfs/dbraw/zinc/46/75/20/804467520.db2.gz GFBLZJBKYQJVIX-QZTJIDSGSA-N 2 1 295.515 3.153 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246640618 804467750 /nfs/dbraw/zinc/46/77/50/804467750.db2.gz ADVSBNCUDJEUIZ-YOEHRIQHSA-N 2 1 292.854 3.489 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246640618 804467751 /nfs/dbraw/zinc/46/77/51/804467751.db2.gz ADVSBNCUDJEUIZ-YOEHRIQHSA-N 2 1 292.854 3.489 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC23CC[NH2+]CC3)C[C@H]1C ZINC001246646203 804473913 /nfs/dbraw/zinc/47/39/13/804473913.db2.gz PACPLOQRUHFBIT-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647219 804475847 /nfs/dbraw/zinc/47/58/47/804475847.db2.gz JAUNQAFQIYMUAJ-CEXWTWQISA-N 2 1 286.463 3.329 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001246649938 804476604 /nfs/dbraw/zinc/47/66/04/804476604.db2.gz RZODZQRIAQCXKV-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246649079 804477177 /nfs/dbraw/zinc/47/71/77/804477177.db2.gz OXXBWCFKQIGOMI-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C1CCC([NH+]2CCC3(CC[NH2+]3)CC2)CC1 ZINC001246651606 804478524 /nfs/dbraw/zinc/47/85/24/804478524.db2.gz WPCCHBKMZXJXPM-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246652021 804479071 /nfs/dbraw/zinc/47/90/71/804479071.db2.gz NTNCVYKDRJVUDY-ICSRJNTNSA-N 2 1 298.474 3.460 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC001246657746 804481721 /nfs/dbraw/zinc/48/17/21/804481721.db2.gz IFNVPOZDNOQIOA-ZUPWUQBJSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC001246657746 804481725 /nfs/dbraw/zinc/48/17/25/804481725.db2.gz IFNVPOZDNOQIOA-ZUPWUQBJSA-N 2 1 298.474 3.472 20 0 CGADMP CCCCCC[C@@H](CCC)[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246658651 804481987 /nfs/dbraw/zinc/48/19/87/804481987.db2.gz AHIXFLGHGIVTKF-IKGGRYGDSA-N 2 1 282.472 3.188 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246658651 804481991 /nfs/dbraw/zinc/48/19/91/804481991.db2.gz AHIXFLGHGIVTKF-IKGGRYGDSA-N 2 1 282.472 3.188 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@H]4CC[NH2+]C[C@H]43)CC2)cc1 ZINC001246665583 804487216 /nfs/dbraw/zinc/48/72/16/804487216.db2.gz QSMHAZQKRKWXNH-JWHDQAAXSA-N 2 1 284.447 3.082 20 0 CGADMP CCC(CC)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246674635 804490319 /nfs/dbraw/zinc/49/03/19/804490319.db2.gz VIZMXXBMWPCYET-IEBWSBKVSA-N 2 1 286.463 3.428 20 0 CGADMP CCC(CC)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246674637 804490808 /nfs/dbraw/zinc/49/08/08/804490808.db2.gz VIZMXXBMWPCYET-MJGOQNOKSA-N 2 1 286.463 3.428 20 0 CGADMP CCC[C@H](CC)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677343 804491991 /nfs/dbraw/zinc/49/19/91/804491991.db2.gz HVRQMYKYLHBVSF-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP C1[NH2+]CC1[C@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246678283 804492705 /nfs/dbraw/zinc/49/27/05/804492705.db2.gz LHTJOMPMKNKIBJ-RDJZCZTQSA-N 2 1 276.468 3.421 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246678564 804492914 /nfs/dbraw/zinc/49/29/14/804492914.db2.gz XZXASVZVBMMQKF-XGHPGWEVSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246690693 804497102 /nfs/dbraw/zinc/49/71/02/804497102.db2.gz LAMLVAJBUILSBS-SJORKVTESA-N 2 1 290.451 3.438 20 0 CGADMP C[N@@H+](C1CC[NH2+]CC1)C1CCC2(CCCC2)CC1 ZINC001246698103 804499621 /nfs/dbraw/zinc/49/96/21/804499621.db2.gz WGGVSBGJJNNWLB-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246770998 804502249 /nfs/dbraw/zinc/50/22/49/804502249.db2.gz UWJMMUPUHLYQGD-UHFFFAOYSA-N 2 1 272.436 3.349 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2CCOC)C[C@H](CC)[NH2+]1 ZINC001246780980 804507502 /nfs/dbraw/zinc/50/75/02/804507502.db2.gz CZWYTCHGQCYAEN-YVSFHVDLSA-N 2 1 282.472 3.187 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246782253 804508370 /nfs/dbraw/zinc/50/83/70/804508370.db2.gz RENFSUWSCHUEMU-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246782251 804508481 /nfs/dbraw/zinc/50/84/81/804508481.db2.gz RENFSUWSCHUEMU-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246779846 804508521 /nfs/dbraw/zinc/50/85/21/804508521.db2.gz JGFXOSZTIXDUJC-VQSBYGRUSA-N 2 1 298.474 3.484 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC001246791437 804515568 /nfs/dbraw/zinc/51/55/68/804515568.db2.gz YOJOCUNGFCCIJX-CZUORRHYSA-N 2 1 264.388 3.351 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001246791437 804515571 /nfs/dbraw/zinc/51/55/71/804515571.db2.gz YOJOCUNGFCCIJX-CZUORRHYSA-N 2 1 264.388 3.351 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@H]2c2cccc(F)c2)C[C@@H](C)[NH2+]1 ZINC001246793978 804518019 /nfs/dbraw/zinc/51/80/19/804518019.db2.gz FOOZDMWDIHPQQO-XNJGSVPQSA-N 2 1 276.399 3.492 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246799204 804519849 /nfs/dbraw/zinc/51/98/49/804519849.db2.gz WNGYGJVECIIPJG-DLBZAZTESA-N 2 1 260.425 3.069 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC001246797210 804519898 /nfs/dbraw/zinc/51/98/98/804519898.db2.gz NFESPOKVGOXIFC-LBPRGKRZSA-N 2 1 298.833 3.484 20 0 CGADMP C[N@@H+](CCc1cccs1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246796908 804520025 /nfs/dbraw/zinc/52/00/25/804520025.db2.gz NTNQZGKDDOWWTG-ZFWWWQNUSA-N 2 1 280.481 3.389 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C[C@H](C)[NH2+]1 ZINC001246798842 804520096 /nfs/dbraw/zinc/52/00/96/804520096.db2.gz SRPDUSCIUAWUHM-JJLQDPRZSA-N 2 1 266.816 3.301 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001246810553 804526620 /nfs/dbraw/zinc/52/66/20/804526620.db2.gz NWJXLQAGNKPXTO-UKBAYJJMSA-N 2 1 286.463 3.470 20 0 CGADMP Cc1ccc(CC[N@H+](C)C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246813915 804530202 /nfs/dbraw/zinc/53/02/02/804530202.db2.gz MJYYFQAJZJGHHU-UHFFFAOYSA-N 2 1 286.463 3.392 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246813933 804530652 /nfs/dbraw/zinc/53/06/52/804530652.db2.gz MTCUPWDHZBKFAX-RBUKOAKNSA-N 2 1 286.463 3.392 20 0 CGADMP Cc1c[nH]c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1C ZINC001140859834 804535760 /nfs/dbraw/zinc/53/57/60/804535760.db2.gz HEVHNLWUXZOKRJ-UHFFFAOYSA-N 2 1 277.456 3.184 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246836370 804544094 /nfs/dbraw/zinc/54/40/94/804544094.db2.gz XUJHBOXRRYDMRR-USXIJHARSA-N 2 1 276.399 3.146 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246838503 804546888 /nfs/dbraw/zinc/54/68/88/804546888.db2.gz CQBSFIGYYHLJRN-HOTGVXAUSA-N 2 1 264.388 3.178 20 0 CGADMP C1CC[C@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[C@H]2C1 ZINC001246839309 804548626 /nfs/dbraw/zinc/54/86/26/804548626.db2.gz SJPODRXIJSBZQH-ALYAQQCSSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC[C@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[C@H]2C1 ZINC001246839309 804548629 /nfs/dbraw/zinc/54/86/29/804548629.db2.gz SJPODRXIJSBZQH-ALYAQQCSSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246848792 804557856 /nfs/dbraw/zinc/55/78/56/804557856.db2.gz ODZUUZVJVCAQAQ-KBPBESRZSA-N 2 1 296.455 3.238 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001246852255 804561315 /nfs/dbraw/zinc/56/13/15/804561315.db2.gz IFNVEOQIBVTCFL-CHPDAQJUSA-N 2 1 284.447 3.211 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246851667 804562226 /nfs/dbraw/zinc/56/22/26/804562226.db2.gz ZQQLCYHOTSIWSP-ONYGOOLBSA-N 2 1 286.419 3.115 20 0 CGADMP Clc1ccc([C@@H]2CC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246851599 804562590 /nfs/dbraw/zinc/56/25/90/804562590.db2.gz LYSYUYIYEVBKJA-ZBFHGGJFSA-N 2 1 278.827 3.271 20 0 CGADMP C[N@@H+](C1CCC(C(C)(C)C)CC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246855000 804563722 /nfs/dbraw/zinc/56/37/22/804563722.db2.gz SJZQWMMKYHBOKB-UYSNPLJNSA-N 2 1 294.483 3.044 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246864362 804567915 /nfs/dbraw/zinc/56/79/15/804567915.db2.gz UVVYFWAQYZICAC-CLKYRPBMSA-N 2 1 264.457 3.405 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](Cc2ccccc2)CC(C)C)C1 ZINC001246864933 804568880 /nfs/dbraw/zinc/56/88/80/804568880.db2.gz QHBWRDXYMCKARF-ROUUACIJSA-N 2 1 274.452 3.185 20 0 CGADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CCC[C@H]1C1CCCCC1)C2 ZINC001246867497 804570316 /nfs/dbraw/zinc/57/03/16/804570316.db2.gz YFPISQSWJGWQAO-CVEARBPZSA-N 2 1 262.441 3.173 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246868106 804571034 /nfs/dbraw/zinc/57/10/34/804571034.db2.gz QLVCLKYHPSGGKV-WCVJEAGWSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246868106 804571039 /nfs/dbraw/zinc/57/10/39/804571039.db2.gz QLVCLKYHPSGGKV-WCVJEAGWSA-N 2 1 252.446 3.131 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246875444 804574383 /nfs/dbraw/zinc/57/43/83/804574383.db2.gz VXFQPBBSTQIMBY-ZWKOTPCHSA-N 2 1 295.515 3.090 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@@H](C)C1 ZINC001246876789 804574784 /nfs/dbraw/zinc/57/47/84/804574784.db2.gz IECRDYFIVBOUIM-PPLKHSGQSA-N 2 1 298.474 3.284 20 0 CGADMP Fc1cccc(CC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246878679 804576185 /nfs/dbraw/zinc/57/61/85/804576185.db2.gz ADEPIKPEPQYEGI-GOSISDBHSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880170 804576710 /nfs/dbraw/zinc/57/67/10/804576710.db2.gz HQNCGYKSSFYJBA-IAGOWNOFSA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880170 804576712 /nfs/dbraw/zinc/57/67/12/804576712.db2.gz HQNCGYKSSFYJBA-IAGOWNOFSA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)CC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246878340 804576824 /nfs/dbraw/zinc/57/68/24/804576824.db2.gz KQEZPLREIZVHRS-UHOSZYNNSA-N 2 1 286.463 3.284 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC[NH2+]1 ZINC001246884334 804580193 /nfs/dbraw/zinc/58/01/93/804580193.db2.gz AJBQJNUMHYJBPE-YYAJDYIMSA-N 2 1 284.447 3.350 20 0 CGADMP CCCC[C@H]1C[C@H]([NH+]2CC(C)(C)OC(C)(C)C2)CC[NH2+]1 ZINC001246895084 804585062 /nfs/dbraw/zinc/58/50/62/804585062.db2.gz PBRGXDDCIFPIAW-LSDHHAIUSA-N 2 1 282.472 3.187 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CSc2ccccc2C1 ZINC001246894587 804585196 /nfs/dbraw/zinc/58/51/96/804585196.db2.gz OBAWTXHPQUNLNX-INIZCTEOSA-N 2 1 290.476 3.167 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246900246 804586991 /nfs/dbraw/zinc/58/69/91/804586991.db2.gz HAFYTAWETKMRAK-QWQRMKEZSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246900246 804586996 /nfs/dbraw/zinc/58/69/96/804586996.db2.gz HAFYTAWETKMRAK-QWQRMKEZSA-N 2 1 283.419 3.445 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246901946 804588261 /nfs/dbraw/zinc/58/82/61/804588261.db2.gz PSTLRVAEWOPFTR-KRWDZBQOSA-N 2 1 269.392 3.057 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1F)C1CCC2(CC[NH2+]C2)CC1 ZINC001246906652 804592178 /nfs/dbraw/zinc/59/21/78/804592178.db2.gz FMIRLWSAMKOMQW-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C2(C)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246909753 804593776 /nfs/dbraw/zinc/59/37/76/804593776.db2.gz KKFGDKWMSDVDHE-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC([N@@H+](CC2CC2)C2CC2)C[C@@H](CC)[NH2+]1 ZINC001246911077 804595327 /nfs/dbraw/zinc/59/53/27/804595327.db2.gz DTFOYNLMBVVPRO-ZIAGYGMSSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246918238 804598844 /nfs/dbraw/zinc/59/88/44/804598844.db2.gz CSUGIOPXYOIMGJ-QZWWFDLISA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246918238 804598847 /nfs/dbraw/zinc/59/88/47/804598847.db2.gz CSUGIOPXYOIMGJ-QZWWFDLISA-N 2 1 264.457 3.418 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246919530 804600861 /nfs/dbraw/zinc/60/08/61/804600861.db2.gz BGVWBSVDURZIQX-HUUCEWRRSA-N 2 1 290.451 3.089 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC001246932326 804606778 /nfs/dbraw/zinc/60/67/78/804606778.db2.gz ZWICABBBNYUFRW-UAGQMJEPSA-N 2 1 288.435 3.015 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001246933673 804606959 /nfs/dbraw/zinc/60/69/59/804606959.db2.gz AIMNKRKHWMQCJC-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937063 804608775 /nfs/dbraw/zinc/60/87/75/804608775.db2.gz YWCHWYHSJUSWCR-CAOSSQGBSA-N 2 1 252.446 3.133 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](CC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001246946841 804613741 /nfs/dbraw/zinc/61/37/41/804613741.db2.gz IAZUJCYSBATKLA-MAUKXSAKSA-N 2 1 274.452 3.111 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@H](C(C)C)C1)C2 ZINC001246967243 804621057 /nfs/dbraw/zinc/62/10/57/804621057.db2.gz MVHOCBVPVVRDJB-ROUUACIJSA-N 2 1 272.436 3.130 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(C)cc1 ZINC001246971394 804621989 /nfs/dbraw/zinc/62/19/89/804621989.db2.gz BAYILTNINDHJDV-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246977450 804623768 /nfs/dbraw/zinc/62/37/68/804623768.db2.gz DACXKDKYZVMERK-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)[N@@H+]([C@@H](C)c1ccccc1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246976279 804624440 /nfs/dbraw/zinc/62/44/40/804624440.db2.gz YVAZFCMJTHCJDQ-HOCLYGCPSA-N 2 1 290.476 3.306 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246975702 804624705 /nfs/dbraw/zinc/62/47/05/804624705.db2.gz OECJMMZXZDBTKC-IZBNFRDHSA-N 2 1 296.817 3.079 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001247001161 804634845 /nfs/dbraw/zinc/63/48/45/804634845.db2.gz JLTNUFZOEKICFP-FUHWJXTLSA-N 2 1 274.452 3.377 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001247002671 804635861 /nfs/dbraw/zinc/63/58/61/804635861.db2.gz NYOUAEUOZYLLEY-PBHICJAKSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001247002018 804636179 /nfs/dbraw/zinc/63/61/79/804636179.db2.gz JIRKCZYGUPMLST-JYJNAYRXSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001247002810 804636329 /nfs/dbraw/zinc/63/63/29/804636329.db2.gz LKZUPYRNLDMMJY-QBPKDAKJSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012570 804639915 /nfs/dbraw/zinc/63/99/15/804639915.db2.gz FKEMLENBEMZSIF-KZNAEPCWSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)C1 ZINC001247016132 804643445 /nfs/dbraw/zinc/64/34/45/804643445.db2.gz RTEQCAXLOPPFRX-HOCLYGCPSA-N 2 1 270.420 3.270 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015839 804643561 /nfs/dbraw/zinc/64/35/61/804643561.db2.gz QLPHVDJINWWLQY-FRFSOERESA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015839 804643564 /nfs/dbraw/zinc/64/35/64/804643564.db2.gz QLPHVDJINWWLQY-FRFSOERESA-N 2 1 292.854 3.345 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142883501 804780215 /nfs/dbraw/zinc/78/02/15/804780215.db2.gz GJVVSHOFPORVJC-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP CC[NH+]1CCC(N(C)Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143381805 804844054 /nfs/dbraw/zinc/84/40/54/804844054.db2.gz PHDIWBDBWJPSMX-UHFFFAOYSA-N 2 1 278.415 3.359 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143381805 804844050 /nfs/dbraw/zinc/84/40/50/804844050.db2.gz PHDIWBDBWJPSMX-UHFFFAOYSA-N 2 1 278.415 3.359 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143381805 804844058 /nfs/dbraw/zinc/84/40/58/804844058.db2.gz PHDIWBDBWJPSMX-UHFFFAOYSA-N 2 1 278.415 3.359 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143381805 804844063 /nfs/dbraw/zinc/84/40/63/804844063.db2.gz PHDIWBDBWJPSMX-UHFFFAOYSA-N 2 1 278.415 3.359 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001143592015 804870607 /nfs/dbraw/zinc/87/06/07/804870607.db2.gz ODTXWMDHSPQBMX-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP Cc1ccc2c(C[NH+]3CCC([NH+](C)C)CC3)cccc2n1 ZINC001248549854 804949794 /nfs/dbraw/zinc/94/97/94/804949794.db2.gz BDEVIGAZEHMUCC-UHFFFAOYSA-N 2 1 283.419 3.069 20 0 CGADMP C[NH+](C)CCCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001250160906 805452599 /nfs/dbraw/zinc/45/25/99/805452599.db2.gz HXKJRRXBISVRSQ-UHFFFAOYSA-N 2 1 258.409 3.161 20 0 CGADMP CC(C)c1ccc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]c1 ZINC001155116233 805541282 /nfs/dbraw/zinc/54/12/82/805541282.db2.gz GTLBGGGKOGKVDR-HNNXBMFYSA-N 2 1 265.376 3.099 20 0 CGADMP CC(C)(C)C(=[NH2+])Nc1ncccc1C[NH+]1CCCC1 ZINC001155181787 805553173 /nfs/dbraw/zinc/55/31/73/805553173.db2.gz QJDFHNIRFLRGKT-UHFFFAOYSA-N 2 1 260.385 3.113 20 0 CGADMP c1cc2c(s1)CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256857892 806992407 /nfs/dbraw/zinc/99/24/07/806992407.db2.gz YSTUNKTWBPKRIQ-UHFFFAOYSA-N 2 1 299.443 3.170 20 0 CGADMP c1cc(N2CCC([N@@H+]3CCCCC34CC4)CC2)cc[nH+]1 ZINC001256861762 806993434 /nfs/dbraw/zinc/99/34/34/806993434.db2.gz BQOCIMSWBDKSGA-UHFFFAOYSA-N 2 1 271.408 3.069 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001257220428 807064297 /nfs/dbraw/zinc/06/42/97/807064297.db2.gz OXOKXBLFWMXBCF-SFHVURJKSA-N 2 1 288.435 3.013 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001257220428 807064306 /nfs/dbraw/zinc/06/43/06/807064306.db2.gz OXOKXBLFWMXBCF-SFHVURJKSA-N 2 1 288.435 3.013 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCCC3(CCC3)C2)CC1 ZINC001257223767 807065591 /nfs/dbraw/zinc/06/55/91/807065591.db2.gz BCXFHDWZZMEOOC-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCCC3(CCC3)C2)CC1 ZINC001257223767 807065595 /nfs/dbraw/zinc/06/55/95/807065595.db2.gz BCXFHDWZZMEOOC-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP Cc1cc[nH+]c(C)c1NCC1CC[NH+](C(C)C)CC1 ZINC001166623800 807072191 /nfs/dbraw/zinc/07/21/91/807072191.db2.gz XFFMOOZIBRXJCP-UHFFFAOYSA-N 2 1 261.413 3.231 20 0 CGADMP CCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001257311568 807100171 /nfs/dbraw/zinc/10/01/71/807100171.db2.gz NCPMTRSGJOHECV-ZDUSSCGKSA-N 2 1 264.388 3.264 20 0 CGADMP CCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001257312571 807101261 /nfs/dbraw/zinc/10/12/61/807101261.db2.gz YVKVHZUGAMKAKJ-CQSZACIVSA-N 2 1 276.424 3.134 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1CCCSC1 ZINC001257679999 807214328 /nfs/dbraw/zinc/21/43/28/807214328.db2.gz GFKPVKBFCOXWEE-XHSDSOJGSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCCSC1 ZINC001257679999 807214335 /nfs/dbraw/zinc/21/43/35/807214335.db2.gz GFKPVKBFCOXWEE-XHSDSOJGSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCCSC1 ZINC001257679999 807214342 /nfs/dbraw/zinc/21/43/42/807214342.db2.gz GFKPVKBFCOXWEE-XHSDSOJGSA-N 2 1 282.497 3.221 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001257877400 807233749 /nfs/dbraw/zinc/23/37/49/807233749.db2.gz GFHHWESOFZLFRT-AQEOSJORSA-N 2 1 296.499 3.431 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001167786003 807250362 /nfs/dbraw/zinc/25/03/62/807250362.db2.gz JZWQFLPLHDWDNB-MRXNPFEDSA-N 2 1 282.391 3.009 20 0 CGADMP CCCCC[NH+]1CCN([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167825442 807255761 /nfs/dbraw/zinc/25/57/61/807255761.db2.gz JDBHXMQZJCMZAM-SFHVURJKSA-N 2 1 297.531 3.305 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cncs1 ZINC001167840101 807260162 /nfs/dbraw/zinc/26/01/62/807260162.db2.gz DTRHRPVVQTVWNL-ZDUSSCGKSA-N 2 1 269.458 3.085 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001258002199 807263532 /nfs/dbraw/zinc/26/35/32/807263532.db2.gz AVZGIEKLLBUGEO-UHFFFAOYSA-N 3 1 295.515 3.090 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001258002199 807263538 /nfs/dbraw/zinc/26/35/38/807263538.db2.gz AVZGIEKLLBUGEO-UHFFFAOYSA-N 3 1 295.515 3.090 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001258014781 807266523 /nfs/dbraw/zinc/26/65/23/807266523.db2.gz STGAQRIAXQANNI-ZDUSSCGKSA-N 2 1 292.389 3.381 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001258014781 807266528 /nfs/dbraw/zinc/26/65/28/807266528.db2.gz STGAQRIAXQANNI-ZDUSSCGKSA-N 2 1 292.389 3.381 20 0 CGADMP CC(C)C[NH+]1CCC([NH+]2CC3CCC(CC3)C2)CC1 ZINC001258017555 807266595 /nfs/dbraw/zinc/26/65/95/807266595.db2.gz LZIBRUZAEJGEAB-UHFFFAOYSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)CCc2ccc(F)cc2)CC1 ZINC001258016781 807266771 /nfs/dbraw/zinc/26/67/71/807266771.db2.gz LOAPNJNSKFFHII-UHFFFAOYSA-N 2 1 292.442 3.420 20 0 CGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](CC(C)C)CC2)cc1 ZINC001258012848 807267077 /nfs/dbraw/zinc/26/70/77/807267077.db2.gz HLVQYDFEAURJGI-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001258014277 807267656 /nfs/dbraw/zinc/26/76/56/807267656.db2.gz IAHWDIFADPEMDZ-GOSISDBHSA-N 2 1 287.451 3.339 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001258014277 807267660 /nfs/dbraw/zinc/26/76/60/807267660.db2.gz IAHWDIFADPEMDZ-GOSISDBHSA-N 2 1 287.451 3.339 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918011 807273398 /nfs/dbraw/zinc/27/33/98/807273398.db2.gz FAYBLYBTUGINER-DPGUQAFYSA-N 2 1 262.441 3.299 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)C[C@@H](C)CC(C)C ZINC001258053219 807279174 /nfs/dbraw/zinc/27/91/74/807279174.db2.gz VBCYYAUIDYZWIS-QWHCGFSZSA-N 2 1 251.418 3.326 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951813 807281265 /nfs/dbraw/zinc/28/12/65/807281265.db2.gz LLYLVBSAUFQLDB-FUMNGEBKSA-N 2 1 296.458 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951813 807281270 /nfs/dbraw/zinc/28/12/70/807281270.db2.gz LLYLVBSAUFQLDB-FUMNGEBKSA-N 2 1 296.458 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951813 807281274 /nfs/dbraw/zinc/28/12/74/807281274.db2.gz LLYLVBSAUFQLDB-FUMNGEBKSA-N 2 1 296.458 3.383 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(N)cc1 ZINC001167969826 807287579 /nfs/dbraw/zinc/28/75/79/807287579.db2.gz FHSBLXVVWWKYQR-RIJRJKGBSA-N 2 1 299.462 3.325 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(N)c1 ZINC001167971498 807289483 /nfs/dbraw/zinc/28/94/83/807289483.db2.gz WLBQUINGMOIKHJ-RIJRJKGBSA-N 2 1 299.462 3.325 20 0 CGADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC1(F)F ZINC001167985685 807292337 /nfs/dbraw/zinc/29/23/37/807292337.db2.gz ZBVQXONISUUDDX-SLHHOWHOSA-N 2 1 298.421 3.369 20 0 CGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1(F)F ZINC001167985685 807292341 /nfs/dbraw/zinc/29/23/41/807292341.db2.gz ZBVQXONISUUDDX-SLHHOWHOSA-N 2 1 298.421 3.369 20 0 CGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1(F)F ZINC001167985685 807292348 /nfs/dbraw/zinc/29/23/48/807292348.db2.gz ZBVQXONISUUDDX-SLHHOWHOSA-N 2 1 298.421 3.369 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168092165 807308992 /nfs/dbraw/zinc/30/89/92/807308992.db2.gz FKWBOLKMLFZKMS-FPCVCCKLSA-N 2 1 282.472 3.172 20 0 CGADMP COc1cccc(CC[N@@H+](C)C2CCC([NH+](C)C)CC2)c1 ZINC001168324411 807383156 /nfs/dbraw/zinc/38/31/56/807383156.db2.gz NORLFHCBORSYHK-UHFFFAOYSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001168324177 807383903 /nfs/dbraw/zinc/38/39/03/807383903.db2.gz IOCCFJANHGGEQD-QQFBHYJXSA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CCCc2ccccc2)CC1 ZINC001168323108 807384134 /nfs/dbraw/zinc/38/41/34/807384134.db2.gz QSPDROQJRCGELP-UHFFFAOYSA-N 2 1 274.452 3.424 20 0 CGADMP Cc1ccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168357925 807391500 /nfs/dbraw/zinc/39/15/00/807391500.db2.gz LUVOKGFYANCWMD-UHFFFAOYSA-N 2 1 284.447 3.448 20 0 CGADMP Cc1cccc(C[N@H+](C)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168373432 807396013 /nfs/dbraw/zinc/39/60/13/807396013.db2.gz RSQHFZAVEXDUFN-UHFFFAOYSA-N 2 1 272.436 3.301 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349035 807422496 /nfs/dbraw/zinc/42/24/96/807422496.db2.gz KQUJLIVIKOPDEJ-KFWWJZLASA-N 2 1 284.513 3.180 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349035 807422502 /nfs/dbraw/zinc/42/25/02/807422502.db2.gz KQUJLIVIKOPDEJ-KFWWJZLASA-N 2 1 284.513 3.180 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349035 807422505 /nfs/dbraw/zinc/42/25/05/807422505.db2.gz KQUJLIVIKOPDEJ-KFWWJZLASA-N 2 1 284.513 3.180 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3cccc(F)c3)C[C@@H]2C1 ZINC001168500597 807437256 /nfs/dbraw/zinc/43/72/56/807437256.db2.gz JRUOAQZTBPYJBW-OIISXLGYSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3cccc(F)c3)C[C@@H]2C1 ZINC001168500597 807437260 /nfs/dbraw/zinc/43/72/60/807437260.db2.gz JRUOAQZTBPYJBW-OIISXLGYSA-N 2 1 290.426 3.030 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001258389400 807437323 /nfs/dbraw/zinc/43/73/23/807437323.db2.gz MVXWHJACEWKFNJ-WBVHZDCISA-N 2 1 290.451 3.090 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1cccc(F)c1 ZINC001168501315 807437997 /nfs/dbraw/zinc/43/79/97/807437997.db2.gz RJCNRBLZOXADII-AWEZNQCLSA-N 2 1 266.404 3.030 20 0 CGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)CC2CC2)CC1 ZINC001258454067 807460314 /nfs/dbraw/zinc/46/03/14/807460314.db2.gz ZEVHPKYTNCIAJL-CQSZACIVSA-N 2 1 288.435 3.134 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H](C)CC2CC2)CC1 ZINC001258462753 807465611 /nfs/dbraw/zinc/46/56/11/807465611.db2.gz KLXGOJAKRGASKY-AWEZNQCLSA-N 2 1 252.446 3.227 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)CC1 ZINC001258529362 807486523 /nfs/dbraw/zinc/48/65/23/807486523.db2.gz METGQUJXULKFLY-OHYMQKJLSA-N 2 1 264.457 3.418 20 0 CGADMP CCC[C@@H](Cc1ccccc1)n1c(C)c[nH+]c1CC[NH3+] ZINC001258650198 807522463 /nfs/dbraw/zinc/52/24/63/807522463.db2.gz XONQUPFHYHDAKZ-INIZCTEOSA-N 2 1 271.408 3.277 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C(C)(C)C[NH3+] ZINC001258673994 807538684 /nfs/dbraw/zinc/53/86/84/807538684.db2.gz XIDQNTQGXLUQSZ-SECBINFHSA-N 2 1 275.223 3.251 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC001258700793 807554502 /nfs/dbraw/zinc/55/45/02/807554502.db2.gz DCEWYNCEZDZSFD-SFHVURJKSA-N 2 1 274.452 3.472 20 0 CGADMP CCCC[C@H](Cc1ccccc1)n1c[nH+]cc1CC[NH3+] ZINC001258701004 807555223 /nfs/dbraw/zinc/55/52/23/807555223.db2.gz FQGJWBDOZFVMNP-MRXNPFEDSA-N 2 1 271.408 3.358 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC([NH+]3CCC3)CC2)CC(C)(C)C1 ZINC001258704647 807560516 /nfs/dbraw/zinc/56/05/16/807560516.db2.gz SPLRGFMOIVUCNL-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)c1ccccc1)C2 ZINC001169089943 807570709 /nfs/dbraw/zinc/57/07/09/807570709.db2.gz GYUBDZNZVQXPTB-OSYLJGHBSA-N 2 1 272.436 3.179 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3F)C2 ZINC001169099566 807575674 /nfs/dbraw/zinc/57/56/74/807575674.db2.gz BRAOPIHEYBLQHR-IPJQOSJUSA-N 2 1 274.383 3.028 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cccc(F)c1)C1CC1)C2 ZINC001169115702 807581401 /nfs/dbraw/zinc/58/14/01/807581401.db2.gz NBRCLSZOUQCJKE-FJIDUMEYSA-N 2 1 288.410 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(F)c3)CCC1)C2 ZINC001169117166 807583490 /nfs/dbraw/zinc/58/34/90/807583490.db2.gz XAVQOBCKVJHHLC-OSYLJGHBSA-N 2 1 288.410 3.420 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169118034 807583661 /nfs/dbraw/zinc/58/36/61/807583661.db2.gz CEXZWWOEVBQRMP-DFGXFYAUSA-N 2 1 285.435 3.056 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001258740168 807584654 /nfs/dbraw/zinc/58/46/54/807584654.db2.gz MUCCYTIXDXGOHE-XJKSGUPXSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126574 807585064 /nfs/dbraw/zinc/58/50/64/807585064.db2.gz WSJFKAYBLHKXNK-QMCVQRASSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126574 807585065 /nfs/dbraw/zinc/58/50/65/807585065.db2.gz WSJFKAYBLHKXNK-QMCVQRASSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126574 807585071 /nfs/dbraw/zinc/58/50/71/807585071.db2.gz WSJFKAYBLHKXNK-QMCVQRASSA-N 2 1 270.420 3.231 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC001169127921 807585529 /nfs/dbraw/zinc/58/55/29/807585529.db2.gz AMXUHCXGORMJST-BWTSREIZSA-N 2 1 284.447 3.491 20 0 CGADMP CC1(C)C[C@@H](Nc2cc(Cl)cc(N)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169142260 807588144 /nfs/dbraw/zinc/58/81/44/807588144.db2.gz MDXLNQBRTJCSRW-IAQYHMDHSA-N 2 1 296.846 3.273 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC001169237913 807611293 /nfs/dbraw/zinc/61/12/93/807611293.db2.gz CCOUBSJZSWKPRQ-QGZVFWFLSA-N 2 1 276.399 3.277 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258786207 807612049 /nfs/dbraw/zinc/61/20/49/807612049.db2.gz ZLENZYCVEFKZPO-VGWMRTNUSA-N 2 1 282.472 3.172 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)CC1 ZINC001258800967 807622210 /nfs/dbraw/zinc/62/22/10/807622210.db2.gz AQQFULQMYHSSCS-OHYMQKJLSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001258811902 807630322 /nfs/dbraw/zinc/63/03/22/807630322.db2.gz ACBGJSPXTWZUKR-HUUCEWRRSA-N 3 1 283.504 3.040 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001258849992 807657661 /nfs/dbraw/zinc/65/76/61/807657661.db2.gz YISKCLAVAXXIRT-QGZVFWFLSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001258849992 807657666 /nfs/dbraw/zinc/65/76/66/807657666.db2.gz YISKCLAVAXXIRT-QGZVFWFLSA-N 2 1 274.452 3.424 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccccc1OC ZINC001258895047 807667324 /nfs/dbraw/zinc/66/73/24/807667324.db2.gz KOLCOGXXDZOETE-INIZCTEOSA-N 2 1 292.467 3.290 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001170077455 807749408 /nfs/dbraw/zinc/74/94/08/807749408.db2.gz JPIUFLJHHPDMKG-OAGGEKHMSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001170077455 807749412 /nfs/dbraw/zinc/74/94/12/807749412.db2.gz JPIUFLJHHPDMKG-OAGGEKHMSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001170077455 807749415 /nfs/dbraw/zinc/74/94/15/807749415.db2.gz JPIUFLJHHPDMKG-OAGGEKHMSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170117358 807764179 /nfs/dbraw/zinc/76/41/79/807764179.db2.gz KPTXMUFIHJOFIA-RRCSTGOVSA-N 2 1 250.430 3.299 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170122401 807767370 /nfs/dbraw/zinc/76/73/70/807767370.db2.gz QBMAJZOUXYMGDM-VDHUWJSZSA-N 2 1 287.451 3.342 20 0 CGADMP C/C(=C\C=C\N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170333655 807825988 /nfs/dbraw/zinc/82/59/88/807825988.db2.gz QQMBVOXQFCOHOK-QFNRRRHKSA-N 2 1 297.446 3.148 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001262379423 807862683 /nfs/dbraw/zinc/86/26/83/807862683.db2.gz ZVLMGBDOIDFQAD-SOUVJXGZSA-N 2 1 278.465 3.219 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001262378560 807863102 /nfs/dbraw/zinc/86/31/02/807863102.db2.gz FXDWZHYXPGBBLX-OKZBNKHCSA-N 2 1 272.436 3.157 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170730259 807889945 /nfs/dbraw/zinc/88/99/45/807889945.db2.gz JEDDCOQOMQJWSV-MKCDUFERSA-N 2 1 262.441 3.026 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170730259 807889954 /nfs/dbraw/zinc/88/99/54/807889954.db2.gz JEDDCOQOMQJWSV-MKCDUFERSA-N 2 1 262.441 3.026 20 0 CGADMP C[C@@H]1CCN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC001262671441 807892676 /nfs/dbraw/zinc/89/26/76/807892676.db2.gz DXIWADSURHIFLX-MRXNPFEDSA-N 2 1 281.403 3.182 20 0 CGADMP Cc1cc(C)c2[nH+]c(NCC[C@@H](C)[NH3+])cc(C)c2c1 ZINC001170889182 807926077 /nfs/dbraw/zinc/92/60/77/807926077.db2.gz LJGDWQFTYIGREJ-CYBMUJFWSA-N 2 1 257.381 3.309 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCc2cccc(Cl)c2C1 ZINC001170897482 807928358 /nfs/dbraw/zinc/92/83/58/807928358.db2.gz OOXFHNNJCJZTEO-AWEZNQCLSA-N 2 1 280.843 3.257 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccncc1 ZINC001171613820 808105651 /nfs/dbraw/zinc/10/56/51/808105651.db2.gz QQDYASAHEAXLFD-CYBMUJFWSA-N 2 1 275.440 3.384 20 0 CGADMP Cc1cnccc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613150 808105660 /nfs/dbraw/zinc/10/56/60/808105660.db2.gz GJNUASJQECRVPR-UHFFFAOYSA-N 2 1 275.440 3.131 20 0 CGADMP CO[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171644813 808111364 /nfs/dbraw/zinc/11/13/64/808111364.db2.gz PDKRYZRMOWCGCN-ZFWWWQNUSA-N 2 1 282.472 3.137 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967416 808161308 /nfs/dbraw/zinc/16/13/08/808161308.db2.gz ZQHGOTUJBIHYEL-DJIMGWMZSA-N 2 1 272.436 3.428 20 0 CGADMP Cn1c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc2ccccc21 ZINC001172100218 808173037 /nfs/dbraw/zinc/17/30/37/808173037.db2.gz BIMMPNLFQGPYGY-BJWYYQGGSA-N 2 1 297.446 3.283 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCSCc1ccco1)C2 ZINC001172102156 808173066 /nfs/dbraw/zinc/17/30/66/808173066.db2.gz KISLYIYDZOMXIB-QDMKHBRRSA-N 2 1 294.464 3.118 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102422 808173943 /nfs/dbraw/zinc/17/39/43/808173943.db2.gz MSBCXMGMYWHSPB-YHUYYLMFSA-N 2 1 273.424 3.056 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102407 808175089 /nfs/dbraw/zinc/17/50/89/808175089.db2.gz MOOZXVRJIFUIFW-NNZMDNLPSA-N 2 1 272.436 3.408 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1=CCCCC1)C2 ZINC001172107486 808177148 /nfs/dbraw/zinc/17/71/48/808177148.db2.gz YHKYZWJDQVQDIT-OSYLJGHBSA-N 2 1 262.441 3.482 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1ccccn1)C2 ZINC001172109885 808178406 /nfs/dbraw/zinc/17/84/06/808178406.db2.gz GLXWHWBYSXQJIW-BJWYYQGGSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1ccccn1)C2 ZINC001172109885 808178408 /nfs/dbraw/zinc/17/84/08/808178408.db2.gz GLXWHWBYSXQJIW-BJWYYQGGSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(F)c(F)c1)C2 ZINC001172109190 808179115 /nfs/dbraw/zinc/17/91/15/808179115.db2.gz HRRJVEIPRMVHJN-QKDCVEJESA-N 2 1 294.389 3.112 20 0 CGADMP C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115367 808180118 /nfs/dbraw/zinc/18/01/18/808180118.db2.gz WQYWZXMLTCKJNC-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115367 808180121 /nfs/dbraw/zinc/18/01/21/808180121.db2.gz WQYWZXMLTCKJNC-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115367 808180124 /nfs/dbraw/zinc/18/01/24/808180124.db2.gz WQYWZXMLTCKJNC-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115367 808180127 /nfs/dbraw/zinc/18/01/27/808180127.db2.gz WQYWZXMLTCKJNC-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cccnc1)C2 ZINC001172114365 808180223 /nfs/dbraw/zinc/18/02/23/808180223.db2.gz RAMKGTZEOUVJIJ-XMTFNYHQSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cccnc1)C2 ZINC001172114365 808180224 /nfs/dbraw/zinc/18/02/24/808180224.db2.gz RAMKGTZEOUVJIJ-XMTFNYHQSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1cccnc1)C2 ZINC001172114365 808180226 /nfs/dbraw/zinc/18/02/26/808180226.db2.gz RAMKGTZEOUVJIJ-XMTFNYHQSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1cccnc1)C2 ZINC001172114365 808180227 /nfs/dbraw/zinc/18/02/27/808180227.db2.gz RAMKGTZEOUVJIJ-XMTFNYHQSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC(F)(F)CC1)C2 ZINC001172115742 808181524 /nfs/dbraw/zinc/18/15/24/808181524.db2.gz ZTSAIJUSFINEOX-BTTYYORXSA-N 2 1 272.383 3.123 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC(F)(F)CC1)C2 ZINC001172115742 808181530 /nfs/dbraw/zinc/18/15/30/808181530.db2.gz ZTSAIJUSFINEOX-BTTYYORXSA-N 2 1 272.383 3.123 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC(F)(F)CC1)C2 ZINC001172115742 808181533 /nfs/dbraw/zinc/18/15/33/808181533.db2.gz ZTSAIJUSFINEOX-BTTYYORXSA-N 2 1 272.383 3.123 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC(F)(F)CC1)C2 ZINC001172115742 808181541 /nfs/dbraw/zinc/18/15/41/808181541.db2.gz ZTSAIJUSFINEOX-BTTYYORXSA-N 2 1 272.383 3.123 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124113 808185574 /nfs/dbraw/zinc/18/55/74/808185574.db2.gz JNHFHPPGNSZMNF-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124113 808185577 /nfs/dbraw/zinc/18/55/77/808185577.db2.gz JNHFHPPGNSZMNF-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124113 808185578 /nfs/dbraw/zinc/18/55/78/808185578.db2.gz JNHFHPPGNSZMNF-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124113 808185581 /nfs/dbraw/zinc/18/55/81/808185581.db2.gz JNHFHPPGNSZMNF-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001172124540 808185894 /nfs/dbraw/zinc/18/58/94/808185894.db2.gz LIPACQGNIPJGJB-SIRPWMCASA-N 2 1 262.441 3.266 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001172124540 808185898 /nfs/dbraw/zinc/18/58/98/808185898.db2.gz LIPACQGNIPJGJB-SIRPWMCASA-N 2 1 262.441 3.266 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001172124540 808185901 /nfs/dbraw/zinc/18/59/01/808185901.db2.gz LIPACQGNIPJGJB-SIRPWMCASA-N 2 1 262.441 3.266 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001172124540 808185905 /nfs/dbraw/zinc/18/59/05/808185905.db2.gz LIPACQGNIPJGJB-SIRPWMCASA-N 2 1 262.441 3.266 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172314835 808225106 /nfs/dbraw/zinc/22/51/06/808225106.db2.gz FFVMKTQUYVFGJT-CVEARBPZSA-N 2 1 272.477 3.292 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001172346499 808245897 /nfs/dbraw/zinc/24/58/97/808245897.db2.gz CLASFPXHEWFMRW-LUKYLMHMSA-N 2 1 284.488 3.289 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)C[C@H]1C ZINC001172376314 808269574 /nfs/dbraw/zinc/26/95/74/808269574.db2.gz ZQGXITIPCDAFQZ-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@@H]1C ZINC001172380438 808273687 /nfs/dbraw/zinc/27/36/87/808273687.db2.gz SULYOFRUGGDROR-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCOC(C)C)C1 ZINC001172442589 808316321 /nfs/dbraw/zinc/31/63/21/808316321.db2.gz UPUAZVUZLXSVEV-GJZGRUSLSA-N 2 1 270.461 3.043 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)CCOC(C)C)C1 ZINC001172442589 808316329 /nfs/dbraw/zinc/31/63/29/808316329.db2.gz UPUAZVUZLXSVEV-GJZGRUSLSA-N 2 1 270.461 3.043 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172547350 808377946 /nfs/dbraw/zinc/37/79/46/808377946.db2.gz WGVLJOJBQJGDKD-CGTJXYLNSA-N 2 1 272.436 3.254 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172559129 808386940 /nfs/dbraw/zinc/38/69/40/808386940.db2.gz XEUYRXKCILWHJI-SJORKVTESA-N 2 1 260.425 3.206 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172568953 808395224 /nfs/dbraw/zinc/39/52/24/808395224.db2.gz QUOYMCCSIDWPTC-CEXWTWQISA-N 2 1 284.447 3.350 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172568953 808395233 /nfs/dbraw/zinc/39/52/33/808395233.db2.gz QUOYMCCSIDWPTC-CEXWTWQISA-N 2 1 284.447 3.350 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172568953 808395242 /nfs/dbraw/zinc/39/52/42/808395242.db2.gz QUOYMCCSIDWPTC-CEXWTWQISA-N 2 1 284.447 3.350 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172660689 808412585 /nfs/dbraw/zinc/41/25/85/808412585.db2.gz UUFHGMJQEPVCAH-UHFFFAOYSA-N 2 1 294.483 3.281 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC2(CCOCC2)CC1 ZINC001173050525 808501035 /nfs/dbraw/zinc/50/10/35/808501035.db2.gz ZVQCOPGPDRYOKP-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](CF)C2)CC1 ZINC001173114419 808513460 /nfs/dbraw/zinc/51/34/60/808513460.db2.gz JGFUZAAMOFLJAK-QQFBHYJXSA-N 2 1 270.436 3.321 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC001173113258 808513752 /nfs/dbraw/zinc/51/37/52/808513752.db2.gz LWKOAZHJCXPJBC-DAWZGUTISA-N 2 1 294.483 3.142 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001173234631 808544418 /nfs/dbraw/zinc/54/44/18/808544418.db2.gz CMJDFRLPPLDJQP-YJBOKZPZSA-N 2 1 274.452 3.111 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001173278157 808581665 /nfs/dbraw/zinc/58/16/65/808581665.db2.gz WUVYQVGGWSXNRR-OWCLPIDISA-N 2 1 252.446 3.406 20 0 CGADMP CC[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001173296485 808596343 /nfs/dbraw/zinc/59/63/43/808596343.db2.gz UEKATLANIAXHAA-CJNGLKHVSA-N 2 1 250.430 3.124 20 0 CGADMP CCSC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001173306355 808603349 /nfs/dbraw/zinc/60/33/49/808603349.db2.gz NRULDKLEBMCVEL-AWEZNQCLSA-N 2 1 272.502 3.180 20 0 CGADMP COC(=O)CCCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173444251 808636745 /nfs/dbraw/zinc/63/67/45/808636745.db2.gz HCFLYMLBSLKWCS-BZUAXINKSA-N 2 1 298.471 3.089 20 0 CGADMP Cc1c(F)cc(F)cc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275010541 808897826 /nfs/dbraw/zinc/89/78/26/808897826.db2.gz UOTKFTSSAVZQNV-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275010541 808897834 /nfs/dbraw/zinc/89/78/34/808897834.db2.gz UOTKFTSSAVZQNV-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275010541 808897839 /nfs/dbraw/zinc/89/78/39/808897839.db2.gz UOTKFTSSAVZQNV-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001275040957 808900059 /nfs/dbraw/zinc/90/00/59/808900059.db2.gz XICSRPDQSHFCDP-INIZCTEOSA-N 2 1 262.441 3.151 20 0 CGADMP CC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001275087072 808906565 /nfs/dbraw/zinc/90/65/65/808906565.db2.gz RNSIBTLUXKHCRZ-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CCCCCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275125597 808911911 /nfs/dbraw/zinc/91/19/11/808911911.db2.gz MLVCHLDNSJFEFK-INIZCTEOSA-N 2 1 252.446 3.375 20 0 CGADMP CCCCCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275125597 808911913 /nfs/dbraw/zinc/91/19/13/808911913.db2.gz MLVCHLDNSJFEFK-INIZCTEOSA-N 2 1 252.446 3.375 20 0 CGADMP CCCCCC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275125597 808911914 /nfs/dbraw/zinc/91/19/14/808911914.db2.gz MLVCHLDNSJFEFK-INIZCTEOSA-N 2 1 252.446 3.375 20 0 CGADMP C(C1CC1)[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275138234 808916270 /nfs/dbraw/zinc/91/62/70/808916270.db2.gz MRQFFDQRGDSYFW-QGZVFWFLSA-N 2 1 262.441 3.127 20 0 CGADMP C(C1CC1)[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275138234 808916273 /nfs/dbraw/zinc/91/62/73/808916273.db2.gz MRQFFDQRGDSYFW-QGZVFWFLSA-N 2 1 262.441 3.127 20 0 CGADMP C(C1CC1)[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275138234 808916280 /nfs/dbraw/zinc/91/62/80/808916280.db2.gz MRQFFDQRGDSYFW-QGZVFWFLSA-N 2 1 262.441 3.127 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3Cl)C[C@H]2CC1 ZINC001275249643 808923940 /nfs/dbraw/zinc/92/39/40/808923940.db2.gz NIMWXPSHCCUZFZ-OKILXGFUSA-N 2 1 278.827 3.114 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]2CC1 ZINC001275249643 808923946 /nfs/dbraw/zinc/92/39/46/808923946.db2.gz NIMWXPSHCCUZFZ-OKILXGFUSA-N 2 1 278.827 3.114 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2CC1 ZINC001275249643 808923952 /nfs/dbraw/zinc/92/39/52/808923952.db2.gz NIMWXPSHCCUZFZ-OKILXGFUSA-N 2 1 278.827 3.114 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3ccncc31)C2 ZINC001275313968 808928215 /nfs/dbraw/zinc/92/82/15/808928215.db2.gz JDSBIWPEOUVOEP-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3ccncc31)C2 ZINC001275313968 808928222 /nfs/dbraw/zinc/92/82/22/808928222.db2.gz JDSBIWPEOUVOEP-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3ccncc31)C2 ZINC001275313968 808928232 /nfs/dbraw/zinc/92/82/32/808928232.db2.gz JDSBIWPEOUVOEP-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CCC2(C1)CCN(Cc1cc(F)ccc1Cl)CC2 ZINC001275621247 808952660 /nfs/dbraw/zinc/95/26/60/808952660.db2.gz SGIZRFQDDOVUGY-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC001275621247 808952666 /nfs/dbraw/zinc/95/26/66/808952666.db2.gz SGIZRFQDDOVUGY-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC001275621247 808952670 /nfs/dbraw/zinc/95/26/70/808952670.db2.gz SGIZRFQDDOVUGY-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3Cl)C[C@H]2CC1 ZINC001275621747 808952693 /nfs/dbraw/zinc/95/26/93/808952693.db2.gz ZBQXCJKDTYLTPG-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP COc1cccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001275806824 808968706 /nfs/dbraw/zinc/96/87/06/808968706.db2.gz SZOAGOFXCGOOSD-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)oc1C ZINC001276174693 808992606 /nfs/dbraw/zinc/99/26/06/808992606.db2.gz BVBOAAATKAGLIA-KRWDZBQOSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)oc1C ZINC001276174693 808992610 /nfs/dbraw/zinc/99/26/10/808992610.db2.gz BVBOAAATKAGLIA-KRWDZBQOSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)oc1C ZINC001276174693 808992617 /nfs/dbraw/zinc/99/26/17/808992617.db2.gz BVBOAAATKAGLIA-KRWDZBQOSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)oc1C ZINC001276174693 808992623 /nfs/dbraw/zinc/99/26/23/808992623.db2.gz BVBOAAATKAGLIA-KRWDZBQOSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)sc1C ZINC001276527215 809014587 /nfs/dbraw/zinc/01/45/87/809014587.db2.gz JDFAZELCFLFWMZ-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)sc1C ZINC001276527215 809014594 /nfs/dbraw/zinc/01/45/94/809014594.db2.gz JDFAZELCFLFWMZ-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)sc1C ZINC001276527215 809014601 /nfs/dbraw/zinc/01/46/01/809014601.db2.gz JDFAZELCFLFWMZ-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCc1ccccc1F)CC2 ZINC001276725625 809026275 /nfs/dbraw/zinc/02/62/75/809026275.db2.gz BSEBBKWVVCKKLF-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cnc3ccccc3c1)CC2 ZINC001276791221 809030304 /nfs/dbraw/zinc/03/03/04/809030304.db2.gz WQOROQVCRBNJBY-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP CC[C@@H](C)[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277807163 809098618 /nfs/dbraw/zinc/09/86/18/809098618.db2.gz KZKIXVTWLRXYFY-CQSZACIVSA-N 2 1 250.430 3.125 20 0 CGADMP CC[C@@H](C)[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277807163 809098624 /nfs/dbraw/zinc/09/86/24/809098624.db2.gz KZKIXVTWLRXYFY-CQSZACIVSA-N 2 1 250.430 3.125 20 0 CGADMP C1CC1[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277923568 809106540 /nfs/dbraw/zinc/10/65/40/809106540.db2.gz BPZKEYXTJKEUKH-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP CCSc1ccccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001175211044 809309144 /nfs/dbraw/zinc/30/91/44/809309144.db2.gz IUPIRZTZCZDWEM-ZBFHGGJFSA-N 2 1 290.476 3.182 20 0 CGADMP CCSc1ccccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001175211044 809309150 /nfs/dbraw/zinc/30/91/50/809309150.db2.gz IUPIRZTZCZDWEM-ZBFHGGJFSA-N 2 1 290.476 3.182 20 0 CGADMP CCSc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001175211044 809309156 /nfs/dbraw/zinc/30/91/56/809309156.db2.gz IUPIRZTZCZDWEM-ZBFHGGJFSA-N 2 1 290.476 3.182 20 0 CGADMP CCc1ccccc1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176280516 809659094 /nfs/dbraw/zinc/65/90/94/809659094.db2.gz CZRKKIGICBTUCC-INIZCTEOSA-N 2 1 295.430 3.355 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001177295186 809791730 /nfs/dbraw/zinc/79/17/30/809791730.db2.gz YUTFXUJLUWVKAR-KSZLIROESA-N 2 1 296.499 3.434 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC001180030463 809969042 /nfs/dbraw/zinc/96/90/42/809969042.db2.gz MHIFMUSXRVHZME-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC001180030463 809969045 /nfs/dbraw/zinc/96/90/45/809969045.db2.gz MHIFMUSXRVHZME-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC001180030463 809969049 /nfs/dbraw/zinc/96/90/49/809969049.db2.gz MHIFMUSXRVHZME-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001180540237 810009166 /nfs/dbraw/zinc/00/91/66/810009166.db2.gz JCLILBBGTPWRHO-GOSISDBHSA-N 2 1 272.436 3.474 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC2(OC)CCCCCC2)CC1 ZINC001180531340 810009292 /nfs/dbraw/zinc/00/92/92/810009292.db2.gz GWMXNCQJLFQELS-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC2(OC)CCCCCC2)CC1 ZINC001180531340 810009296 /nfs/dbraw/zinc/00/92/96/810009296.db2.gz GWMXNCQJLFQELS-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001182152231 810095445 /nfs/dbraw/zinc/09/54/45/810095445.db2.gz LNFOACFXXJBPTG-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001182152231 810095448 /nfs/dbraw/zinc/09/54/48/810095448.db2.gz LNFOACFXXJBPTG-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccccc1CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196630982 811355019 /nfs/dbraw/zinc/35/50/19/811355019.db2.gz BZVNOSVZSLFYMK-OALUTQOASA-N 2 1 286.463 3.065 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001197367799 811421262 /nfs/dbraw/zinc/42/12/62/811421262.db2.gz ASKCLZKOCXCZLA-QGZVFWFLSA-N 2 1 295.430 3.409 20 0 CGADMP COCCCC[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001198790221 811543418 /nfs/dbraw/zinc/54/34/18/811543418.db2.gz DMWXAYHGUHVXJL-OAHLLOKOSA-N 2 1 293.455 3.244 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2cccnc21 ZINC001200714536 811737455 /nfs/dbraw/zinc/73/74/55/811737455.db2.gz KQIFYSOEYINXHB-UHFFFAOYSA-N 2 1 294.402 3.310 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001200863854 811758049 /nfs/dbraw/zinc/75/80/49/811758049.db2.gz MORNVVVPFLFDCB-ROUUACIJSA-N 2 1 296.499 3.293 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001200863854 811758052 /nfs/dbraw/zinc/75/80/52/811758052.db2.gz MORNVVVPFLFDCB-ROUUACIJSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201515479 811878341 /nfs/dbraw/zinc/87/83/41/811878341.db2.gz NJWGTHJBQICVAX-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201515479 811878349 /nfs/dbraw/zinc/87/83/49/811878349.db2.gz NJWGTHJBQICVAX-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201515479 811878356 /nfs/dbraw/zinc/87/83/56/811878356.db2.gz NJWGTHJBQICVAX-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516803 811878843 /nfs/dbraw/zinc/87/88/43/811878843.db2.gz CBTFGDWIGKMTHP-WDSOQIARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516803 811878853 /nfs/dbraw/zinc/87/88/53/811878853.db2.gz CBTFGDWIGKMTHP-WDSOQIARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516803 811878862 /nfs/dbraw/zinc/87/88/62/811878862.db2.gz CBTFGDWIGKMTHP-WDSOQIARSA-N 2 1 286.463 3.486 20 0 CGADMP CCC(CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201531755 811885394 /nfs/dbraw/zinc/88/53/94/811885394.db2.gz VCCQGARQEIJDJS-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP CCC(CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201531755 811885403 /nfs/dbraw/zinc/88/54/03/811885403.db2.gz VCCQGARQEIJDJS-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP CCC(CC)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201531755 811885412 /nfs/dbraw/zinc/88/54/12/811885412.db2.gz VCCQGARQEIJDJS-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001201637261 811926928 /nfs/dbraw/zinc/92/69/28/811926928.db2.gz SNJLRGKKHFHUFR-INIZCTEOSA-N 2 1 276.424 3.366 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1 ZINC001201665079 811933508 /nfs/dbraw/zinc/93/35/08/811933508.db2.gz VSIVUDHCVDPBFS-AATRIKPKSA-N 2 1 284.447 3.477 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(C)cc1C ZINC001203739075 812446094 /nfs/dbraw/zinc/44/60/94/812446094.db2.gz FFQYERVXSNHUJL-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(OC)cc2C)CC1 ZINC001203760162 812456550 /nfs/dbraw/zinc/45/65/50/812456550.db2.gz LTTKKDPWYLRULP-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(OC)cc2C)CC1 ZINC001203760162 812456552 /nfs/dbraw/zinc/45/65/52/812456552.db2.gz LTTKKDPWYLRULP-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccoc1 ZINC001204244247 812585426 /nfs/dbraw/zinc/58/54/26/812585426.db2.gz VCQFIWOGJHLOBG-JKSUJKDBSA-N 2 1 262.397 3.118 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccoc1 ZINC001204244247 812585427 /nfs/dbraw/zinc/58/54/27/812585427.db2.gz VCQFIWOGJHLOBG-JKSUJKDBSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC001204244247 812585432 /nfs/dbraw/zinc/58/54/32/812585432.db2.gz VCQFIWOGJHLOBG-JKSUJKDBSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccoc1 ZINC001204244247 812585436 /nfs/dbraw/zinc/58/54/36/812585436.db2.gz VCQFIWOGJHLOBG-JKSUJKDBSA-N 2 1 262.397 3.118 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204267508 812592109 /nfs/dbraw/zinc/59/21/09/812592109.db2.gz UAVPTFMMHZYISW-INIZCTEOSA-N 2 1 290.451 3.392 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@H]2C1 ZINC001204399760 812629179 /nfs/dbraw/zinc/62/91/79/812629179.db2.gz WBADFRRLTVDYRJ-IAGOWNOFSA-N 2 1 286.463 3.368 20 0 CGADMP CCC[N@@H+](CCc1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC001204663992 812702965 /nfs/dbraw/zinc/70/29/65/812702965.db2.gz DCKZPVBLQLITOX-UHFFFAOYSA-N 2 1 292.442 3.422 20 0 CGADMP Clc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727626 812718996 /nfs/dbraw/zinc/71/89/96/812718996.db2.gz GOBDTZCBVXRKAV-UHFFFAOYSA-N 2 1 278.827 3.306 20 0 CGADMP Fc1cc(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204735386 812720744 /nfs/dbraw/zinc/72/07/44/812720744.db2.gz SBICYNBUPSMAHM-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP Fc1cc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204735386 812720749 /nfs/dbraw/zinc/72/07/49/812720749.db2.gz SBICYNBUPSMAHM-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP c1cc2cccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2o1 ZINC001204741783 812722715 /nfs/dbraw/zinc/72/27/15/812722715.db2.gz BMWMUYBOKZXFSG-UHFFFAOYSA-N 2 1 284.403 3.398 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204877740 812762010 /nfs/dbraw/zinc/76/20/10/812762010.db2.gz ORLUKFJHCXSUTC-QAPCUYQASA-N 2 1 274.452 3.412 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204877740 812762015 /nfs/dbraw/zinc/76/20/15/812762015.db2.gz ORLUKFJHCXSUTC-QAPCUYQASA-N 2 1 274.452 3.412 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@](C)([NH3+])C2)C1(C)C ZINC001204937507 812785018 /nfs/dbraw/zinc/78/50/18/812785018.db2.gz CTGPRDHIMPNKNG-ZBFHGGJFSA-N 2 1 250.430 3.182 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001204945047 812790731 /nfs/dbraw/zinc/79/07/31/812790731.db2.gz DRGXWCJSRGVPFF-IBGZPJMESA-N 2 1 296.414 3.372 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001204945047 812790734 /nfs/dbraw/zinc/79/07/34/812790734.db2.gz DRGXWCJSRGVPFF-IBGZPJMESA-N 2 1 296.414 3.372 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC001205101776 812866639 /nfs/dbraw/zinc/86/66/39/812866639.db2.gz LISJNQJCIOQRIG-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001205110065 812870219 /nfs/dbraw/zinc/87/02/19/812870219.db2.gz NUXAFBBZJNVGSB-HNNXBMFYSA-N 2 1 287.432 3.123 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001205117525 812874587 /nfs/dbraw/zinc/87/45/87/812874587.db2.gz QDORGHUFPVRNKM-INIZCTEOSA-N 2 1 297.402 3.187 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001205124381 812878211 /nfs/dbraw/zinc/87/82/11/812878211.db2.gz POYOQDSQKQIKKQ-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001205124381 812878219 /nfs/dbraw/zinc/87/82/19/812878219.db2.gz POYOQDSQKQIKKQ-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001205164736 812894489 /nfs/dbraw/zinc/89/44/89/812894489.db2.gz REZFRLTZFQQGFO-OAHLLOKOSA-N 2 1 292.426 3.452 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001205164662 812895899 /nfs/dbraw/zinc/89/58/99/812895899.db2.gz LKQIJIJNDFKUEJ-CQSZACIVSA-N 2 1 278.399 3.409 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205189601 812903173 /nfs/dbraw/zinc/90/31/73/812903173.db2.gz DPHLYDWQBXSCDA-CXAGYDPISA-N 2 1 254.377 3.070 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205189601 812903176 /nfs/dbraw/zinc/90/31/76/812903176.db2.gz DPHLYDWQBXSCDA-CXAGYDPISA-N 2 1 254.377 3.070 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205265762 812922047 /nfs/dbraw/zinc/92/20/47/812922047.db2.gz REXKYWVBQVETCL-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205265762 812922051 /nfs/dbraw/zinc/92/20/51/812922051.db2.gz REXKYWVBQVETCL-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001205274377 812926434 /nfs/dbraw/zinc/92/64/34/812926434.db2.gz WHDYTDCKZXMXLF-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3occc32)CC1 ZINC001205287940 812932171 /nfs/dbraw/zinc/93/21/71/812932171.db2.gz DUFGUVMTQFKWDV-MRXNPFEDSA-N 2 1 258.365 3.136 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC001205303355 812941016 /nfs/dbraw/zinc/94/10/16/812941016.db2.gz CUUNTIRXYASJOO-ZBFHGGJFSA-N 2 1 284.403 3.363 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205316505 812949089 /nfs/dbraw/zinc/94/90/89/812949089.db2.gz KEUHGYMUEXXJDF-ZFWWWQNUSA-N 2 1 294.414 3.030 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205316505 812949094 /nfs/dbraw/zinc/94/90/94/812949094.db2.gz KEUHGYMUEXXJDF-ZFWWWQNUSA-N 2 1 294.414 3.030 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1C[NH3+] ZINC001205317170 812949316 /nfs/dbraw/zinc/94/93/16/812949316.db2.gz MYXGQIVZGMRMQX-KBXCAEBGSA-N 2 1 272.436 3.371 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001205331979 812959277 /nfs/dbraw/zinc/95/92/77/812959277.db2.gz LEYQGXKQTWRVJA-QGZVFWFLSA-N 2 1 294.442 3.461 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001205331979 812959284 /nfs/dbraw/zinc/95/92/84/812959284.db2.gz LEYQGXKQTWRVJA-QGZVFWFLSA-N 2 1 294.442 3.461 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC001205580141 813010518 /nfs/dbraw/zinc/01/05/18/813010518.db2.gz QMIQWZBCFSBTNF-LBPRGKRZSA-N 2 1 276.808 3.054 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205600968 813017503 /nfs/dbraw/zinc/01/75/03/813017503.db2.gz COWSZVJPMZLXPW-IXDOHACOSA-N 2 1 298.515 3.261 20 0 CGADMP C[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001205602280 813018963 /nfs/dbraw/zinc/01/89/63/813018963.db2.gz IGOBBAQOKTVAQE-HIFRSBDPSA-N 2 1 280.843 3.189 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602559 813019654 /nfs/dbraw/zinc/01/96/54/813019654.db2.gz JPQWJEJWCKFOAZ-HIFRSBDPSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205604763 813020838 /nfs/dbraw/zinc/02/08/38/813020838.db2.gz WUCXUTQPGNCCPI-TZMCWYRMSA-N 2 1 298.833 3.328 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618188 813028214 /nfs/dbraw/zinc/02/82/14/813028214.db2.gz SKUWWXZNPBUJRT-HZPDHXFCSA-N 2 1 299.462 3.468 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c2c1 ZINC001205618931 813028226 /nfs/dbraw/zinc/02/82/26/813028226.db2.gz ZIXXYBXYTAVATM-CABCVRRESA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205618501 813028703 /nfs/dbraw/zinc/02/87/03/813028703.db2.gz WQDTYBXMLYEDJL-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2coc3ccccc23)CC[C@@H]1C[NH3+] ZINC001205625267 813031781 /nfs/dbraw/zinc/03/17/81/813031781.db2.gz AQJRCBRHMOWLSU-UONOGXRCSA-N 2 1 272.392 3.240 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(F)c1F ZINC001205625204 813032023 /nfs/dbraw/zinc/03/20/23/813032023.db2.gz ACCGZIGSPFVUSK-BXUZGUMPSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cncc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205627164 813033016 /nfs/dbraw/zinc/03/30/16/813033016.db2.gz NISMYSRSJMVHPO-LSDHHAIUSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)c1 ZINC001205628278 813033516 /nfs/dbraw/zinc/03/35/16/813033516.db2.gz UNNJZHZEYZXHJM-KGLIPLIRSA-N 2 1 280.843 3.455 20 0 CGADMP CCc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205628456 813035250 /nfs/dbraw/zinc/03/52/50/813035250.db2.gz VGJADMRLDQUVDK-HOCLYGCPSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC001205639155 813038584 /nfs/dbraw/zinc/03/85/84/813038584.db2.gz WNMRNQPRIOHENN-ZBFHGGJFSA-N 2 1 299.418 3.148 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ncsc3c2)CC[C@H]1C[NH3+] ZINC001205638866 813038804 /nfs/dbraw/zinc/03/88/04/813038804.db2.gz SRKCRRPQKLOFMG-OCCSQVGLSA-N 2 1 289.448 3.103 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c1 ZINC001205651249 813041266 /nfs/dbraw/zinc/04/12/66/813041266.db2.gz BQGIQBURRABZEP-KBPBESRZSA-N 2 1 294.414 3.031 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651422 813041824 /nfs/dbraw/zinc/04/18/24/813041824.db2.gz FDFJTFYEUVMCIZ-CJNGLKHVSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC[C@@H]1C[NH3+] ZINC001205651157 813042827 /nfs/dbraw/zinc/04/28/27/813042827.db2.gz AQQZONVKWJBVDO-GDBMZVCRSA-N 2 1 299.418 3.148 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205654858 813044546 /nfs/dbraw/zinc/04/45/46/813044546.db2.gz XYJITKZYORTRIK-TZMCWYRMSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[C@@H](CN)[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827965 813098386 /nfs/dbraw/zinc/09/83/86/813098386.db2.gz IJFHJSJBFSYGQO-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827965 813098394 /nfs/dbraw/zinc/09/83/94/813098394.db2.gz IJFHJSJBFSYGQO-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205828266 813099558 /nfs/dbraw/zinc/09/95/58/813099558.db2.gz KOPOIZRLAPGRMM-SMDDNHRTSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205828266 813099564 /nfs/dbraw/zinc/09/95/64/813099564.db2.gz KOPOIZRLAPGRMM-SMDDNHRTSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001205851753 813108552 /nfs/dbraw/zinc/10/85/52/813108552.db2.gz BKOVTRUJCNAHLM-RHSMWYFYSA-N 2 1 268.404 3.351 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205851753 813108555 /nfs/dbraw/zinc/10/85/55/813108555.db2.gz BKOVTRUJCNAHLM-RHSMWYFYSA-N 2 1 268.404 3.351 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCc1ccccc1 ZINC001205901705 813123277 /nfs/dbraw/zinc/12/32/77/813123277.db2.gz FNCUKTJYYOKAKY-NVXWUHKLSA-N 2 1 260.425 3.069 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205902194 813124500 /nfs/dbraw/zinc/12/45/00/813124500.db2.gz IJOJBPWKNABLPO-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)c[nH]c21 ZINC001205902063 813125221 /nfs/dbraw/zinc/12/52/21/813125221.db2.gz HHPRXFUDWUEDED-ZIAGYGMSSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2c1cccc2Cl ZINC001205904445 813126407 /nfs/dbraw/zinc/12/64/07/813126407.db2.gz VGDXRNKZRHVFDL-RYUDHWBXSA-N 2 1 291.826 3.381 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205904605 813126564 /nfs/dbraw/zinc/12/65/64/813126564.db2.gz WDBPOSXFUCLUJP-ARFHVFGLSA-N 2 1 252.446 3.428 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904874 813127555 /nfs/dbraw/zinc/12/75/55/813127555.db2.gz XPISJZQCIPEBDQ-DOTOQJQBSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205916014 813130944 /nfs/dbraw/zinc/13/09/44/813130944.db2.gz RKMGIGTTZCROOO-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(F)c1 ZINC001205923233 813135231 /nfs/dbraw/zinc/13/52/31/813135231.db2.gz LJWAEHKFOBVPSJ-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(F)c1 ZINC001205923233 813135236 /nfs/dbraw/zinc/13/52/36/813135236.db2.gz LJWAEHKFOBVPSJ-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205923343 813135343 /nfs/dbraw/zinc/13/53/43/813135343.db2.gz NFYQIMWQHOMNRY-DZGCQCFKSA-N 2 1 278.465 3.276 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205939914 813142045 /nfs/dbraw/zinc/14/20/45/813142045.db2.gz VWWPMCGQBYGMRG-GOSISDBHSA-N 2 1 296.414 3.372 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205939914 813142047 /nfs/dbraw/zinc/14/20/47/813142047.db2.gz VWWPMCGQBYGMRG-GOSISDBHSA-N 2 1 296.414 3.372 20 0 CGADMP C[C@H]1C[N@@H+](CC2(c3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001205983079 813151583 /nfs/dbraw/zinc/15/15/83/813151583.db2.gz NHAQSMLGVXILHO-HOTGVXAUSA-N 2 1 272.436 3.025 20 0 CGADMP C[C@H]1C[N@@H+](CCCC2CCCC2)CCC[C@@H]1C[NH3+] ZINC001205985471 813152438 /nfs/dbraw/zinc/15/24/38/813152438.db2.gz YKSCLEIOZUYNFV-GOEBONIOSA-N 2 1 252.446 3.264 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205991838 813155342 /nfs/dbraw/zinc/15/53/42/813155342.db2.gz CROGUXYTRIFXGR-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CCC[C@H]1C[NH3+] ZINC001205995895 813157243 /nfs/dbraw/zinc/15/72/43/813157243.db2.gz RPWXWMHTQVJPOI-AAEUAGOBSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(O)c3ccccc23)CCC[C@@H]1C[NH3+] ZINC001205995325 813157518 /nfs/dbraw/zinc/15/75/18/813157518.db2.gz NPYAMXYRUHRUCS-LSDHHAIUSA-N 2 1 298.430 3.352 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3cccnc3c2)CCC[C@@H]1C[NH3+] ZINC001206003459 813160681 /nfs/dbraw/zinc/16/06/81/813160681.db2.gz IFXZIZHNMKSDCP-RHSMWYFYSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2Cl)CCC[C@H]1C[NH3+] ZINC001206004562 813160775 /nfs/dbraw/zinc/16/07/75/813160775.db2.gz UBGPBVOQEWPIBH-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)ccc2n1 ZINC001206004768 813160943 /nfs/dbraw/zinc/16/09/43/813160943.db2.gz UZCAGFDMUBUISN-KSSFIOAISA-N 2 1 297.446 3.350 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001206011562 813163636 /nfs/dbraw/zinc/16/36/36/813163636.db2.gz DSYZYMKBPQTLMN-DGCLKSJQSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(F)c1F ZINC001206015041 813166464 /nfs/dbraw/zinc/16/64/64/813166464.db2.gz ZRQUEJAKMXMIMA-JSGCOSHPSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)o2)CCC[C@H]1C[NH3+] ZINC001206015046 813166506 /nfs/dbraw/zinc/16/65/06/813166506.db2.gz ZSBPMHFEKMVYHG-QWRGUYRKSA-N 2 1 290.329 3.105 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3cccc(F)c3[nH]2)CCC[C@@H]1C[NH3+] ZINC001206025180 813170147 /nfs/dbraw/zinc/17/01/47/813170147.db2.gz MQJJRVDPNBXKOU-TZMCWYRMSA-N 2 1 289.398 3.114 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1F ZINC001206026220 813170470 /nfs/dbraw/zinc/17/04/70/813170470.db2.gz QYGMMYJUKHZYPH-HIFRSBDPSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c12 ZINC001206024522 813170742 /nfs/dbraw/zinc/17/07/42/813170742.db2.gz JPDXAEWNEUWWSU-HOTGVXAUSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3cccnc3s2)CCC[C@@H]1C[NH3+] ZINC001206026185 813170766 /nfs/dbraw/zinc/17/07/66/813170766.db2.gz QREFQTDHFDLAHX-GXTWGEPZSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c3ccoc3ccc2F)CCC[C@H]1C[NH3+] ZINC001206036682 813175998 /nfs/dbraw/zinc/17/59/98/813175998.db2.gz NOPYPUZKMIPAFP-STQMWFEESA-N 2 1 290.382 3.379 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C[C@H]1C ZINC001206109549 813202089 /nfs/dbraw/zinc/20/20/89/813202089.db2.gz BJEPEELRKDCKLM-QWHCGFSZSA-N 2 1 278.465 3.262 20 0 CGADMP N[C@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)CC[C@H]1F ZINC001206152646 813214754 /nfs/dbraw/zinc/21/47/54/813214754.db2.gz ADHFVNJTVIXNNO-SJORKVTESA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CC2(c3ccccc3)CCCC2)CC[C@H]1F ZINC001206152646 813214761 /nfs/dbraw/zinc/21/47/61/813214761.db2.gz ADHFVNJTVIXNNO-SJORKVTESA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)CC[C@H]1F ZINC001206152646 813214764 /nfs/dbraw/zinc/21/47/64/813214764.db2.gz ADHFVNJTVIXNNO-SJORKVTESA-N 2 1 290.426 3.260 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154168 813216616 /nfs/dbraw/zinc/21/66/16/813216616.db2.gz HDVDKYPBQCPJID-OVNWPICBSA-N 2 1 256.409 3.274 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154168 813216619 /nfs/dbraw/zinc/21/66/19/813216619.db2.gz HDVDKYPBQCPJID-OVNWPICBSA-N 2 1 256.409 3.274 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCc2cccc(Cl)c2)CC[C@H]1F ZINC001206155876 813216661 /nfs/dbraw/zinc/21/66/61/813216661.db2.gz MWBFMPITNSVSLN-HUUCEWRRSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2cccc(Cl)c2)CC[C@H]1F ZINC001206155876 813216666 /nfs/dbraw/zinc/21/66/66/813216666.db2.gz MWBFMPITNSVSLN-HUUCEWRRSA-N 2 1 284.806 3.034 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1C(C)C ZINC001206172545 813224803 /nfs/dbraw/zinc/22/48/03/813224803.db2.gz APADWKBOLRCBJZ-HZPDHXFCSA-N 2 1 294.414 3.080 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccnc2)CC[C@@H]1F ZINC001206174589 813226745 /nfs/dbraw/zinc/22/67/45/813226745.db2.gz OHTVTRVLTFVUDX-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccnc2)CC[C@@H]1F ZINC001206174589 813226749 /nfs/dbraw/zinc/22/67/49/813226749.db2.gz OHTVTRVLTFVUDX-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[C@@H]1F ZINC001206182705 813230835 /nfs/dbraw/zinc/23/08/35/813230835.db2.gz DIGMRHDTDHIOJE-KBPBESRZSA-N 2 1 278.396 3.163 20 0 CGADMP CC1(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCCCC1 ZINC001206297620 813276851 /nfs/dbraw/zinc/27/68/51/813276851.db2.gz YZTVATGDXDGJCF-OAHLLOKOSA-N 2 1 252.446 3.408 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297671 813277129 /nfs/dbraw/zinc/27/71/29/813277129.db2.gz ZUGYKPSVYYPDNN-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC001206296971 813277197 /nfs/dbraw/zinc/27/71/97/813277197.db2.gz VSEIRSVZEPWINT-OAHLLOKOSA-N 2 1 266.816 3.291 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001206304159 813279871 /nfs/dbraw/zinc/27/98/71/813279871.db2.gz GQAIKDHHFRSPRK-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC001206305154 813281517 /nfs/dbraw/zinc/28/15/17/813281517.db2.gz UYAMUJQPNLXUQW-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311748 813284649 /nfs/dbraw/zinc/28/46/49/813284649.db2.gz UIVTWAUFJGSBMS-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206317595 813287674 /nfs/dbraw/zinc/28/76/74/813287674.db2.gz HWCCJZXGPPKGMH-INIZCTEOSA-N 2 1 278.465 3.359 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206338028 813294400 /nfs/dbraw/zinc/29/44/00/813294400.db2.gz XZDOBWZKKJIDAC-LSDHHAIUSA-N 2 1 258.425 3.356 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206338028 813294403 /nfs/dbraw/zinc/29/44/03/813294403.db2.gz XZDOBWZKKJIDAC-LSDHHAIUSA-N 2 1 258.425 3.356 20 0 CGADMP CC1(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)CCCCC1 ZINC001206337298 813294835 /nfs/dbraw/zinc/29/48/35/813294835.db2.gz SHXZZYJHAJDCLG-HNNXBMFYSA-N 2 1 256.409 3.110 20 0 CGADMP CC1(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)CCCCC1 ZINC001206337298 813294842 /nfs/dbraw/zinc/29/48/42/813294842.db2.gz SHXZZYJHAJDCLG-HNNXBMFYSA-N 2 1 256.409 3.110 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206343346 813295945 /nfs/dbraw/zinc/29/59/45/813295945.db2.gz FHJYGQXLRXKUDX-KRWDZBQOSA-N 2 1 278.415 3.463 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206343346 813295953 /nfs/dbraw/zinc/29/59/53/813295953.db2.gz FHJYGQXLRXKUDX-KRWDZBQOSA-N 2 1 278.415 3.463 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206369395 813305779 /nfs/dbraw/zinc/30/57/79/813305779.db2.gz DDASPPFVZBYIIU-QGZVFWFLSA-N 2 1 278.415 3.463 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206369395 813305788 /nfs/dbraw/zinc/30/57/88/813305788.db2.gz DDASPPFVZBYIIU-QGZVFWFLSA-N 2 1 278.415 3.463 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001206542197 813344930 /nfs/dbraw/zinc/34/49/30/813344930.db2.gz URPFVLBXNGESIF-GVDBMIGSSA-N 2 1 264.457 3.430 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c2c1 ZINC001206547107 813347048 /nfs/dbraw/zinc/34/70/48/813347048.db2.gz BRORVFKZJMXTJT-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC001206549790 813348187 /nfs/dbraw/zinc/34/81/87/813348187.db2.gz PVYROSPKDZZATG-INIZCTEOSA-N 2 1 298.377 3.239 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001206556274 813352410 /nfs/dbraw/zinc/35/24/10/813352410.db2.gz QDTUSCVAAWBPBW-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP CC(C)[N@@H+](CCc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582776 813361695 /nfs/dbraw/zinc/36/16/95/813361695.db2.gz PPUYVXPPSRPPGM-CQSZACIVSA-N 2 1 296.405 3.360 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632685 813380415 /nfs/dbraw/zinc/38/04/15/813380415.db2.gz NRKVSYBRFLWQQV-OAHLLOKOSA-N 2 1 260.425 3.371 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206641516 813383367 /nfs/dbraw/zinc/38/33/67/813383367.db2.gz YKIYUFPJODBVIG-MRXNPFEDSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC001206641578 813384109 /nfs/dbraw/zinc/38/41/09/813384109.db2.gz ZBMUZDUNSQEVDF-KRWDZBQOSA-N 2 1 290.451 3.343 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206646449 813385402 /nfs/dbraw/zinc/38/54/02/813385402.db2.gz CIIAIBCCFDZLKN-INIZCTEOSA-N 2 1 290.451 3.343 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC001206771029 813432222 /nfs/dbraw/zinc/43/22/22/813432222.db2.gz VTARVSHIAUQQDK-CHWSQXEVSA-N 2 1 274.433 3.461 20 0 CGADMP COc1ccc2oc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cc2c1 ZINC001206770954 813432701 /nfs/dbraw/zinc/43/27/01/813432701.db2.gz VFXKFYHZJBGJFZ-STQMWFEESA-N 2 1 288.391 3.001 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206806608 813441603 /nfs/dbraw/zinc/44/16/03/813441603.db2.gz GYKDJNNKOMAJCC-HUUCEWRRSA-N 2 1 298.430 3.408 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C1(C)C ZINC001207275474 813530509 /nfs/dbraw/zinc/53/05/09/813530509.db2.gz JZGRIDHVMKUDEU-LZLYRXPVSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=CC[C@@H](CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1(C)C ZINC001207277062 813532323 /nfs/dbraw/zinc/53/23/23/813532323.db2.gz QJBRKLSBFIDPBM-FUHWJXTLSA-N 2 1 276.468 3.397 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207287380 813536134 /nfs/dbraw/zinc/53/61/34/813536134.db2.gz DBWXWPIVRKRJMJ-AWEZNQCLSA-N 2 1 260.425 3.021 20 0 CGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207286847 813536840 /nfs/dbraw/zinc/53/68/40/813536840.db2.gz VRXKKBLFRFZUNU-MRXNPFEDSA-N 2 1 290.451 3.036 20 0 CGADMP Cc1ccccc1O[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207286847 813536844 /nfs/dbraw/zinc/53/68/44/813536844.db2.gz VRXKKBLFRFZUNU-MRXNPFEDSA-N 2 1 290.451 3.036 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207351046 813546464 /nfs/dbraw/zinc/54/64/64/813546464.db2.gz VKFIQAWBSPQKNT-UHFFFAOYSA-N 2 1 274.399 3.228 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207351046 813546467 /nfs/dbraw/zinc/54/64/67/813546467.db2.gz VKFIQAWBSPQKNT-UHFFFAOYSA-N 2 1 274.399 3.228 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1cccc(Cl)c1 ZINC001207422669 813560343 /nfs/dbraw/zinc/56/03/43/813560343.db2.gz KABKRJRJPDADAS-UHFFFAOYSA-N 2 1 280.843 3.300 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC001207438042 813565853 /nfs/dbraw/zinc/56/58/53/813565853.db2.gz SAICCMYBOLNLQG-GOSISDBHSA-N 2 1 288.435 3.222 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001207484823 813573009 /nfs/dbraw/zinc/57/30/09/813573009.db2.gz NPDTVJDEBIKOHL-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+](CCC1CC[NH+](C)CC1)CC1CCCCC1 ZINC001207487252 813574046 /nfs/dbraw/zinc/57/40/46/813574046.db2.gz VDLIUEXFSCYUOG-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1ccccc1F ZINC001207503150 813580536 /nfs/dbraw/zinc/58/05/36/813580536.db2.gz RWRSRHZWEXWYAS-UHFFFAOYSA-N 2 1 266.404 3.032 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207625056 813619227 /nfs/dbraw/zinc/61/92/27/813619227.db2.gz LOVDSUSQJCRTIT-BBWFWOEESA-N 2 1 297.446 3.141 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCc4ccccc43)CC2)C1 ZINC001208606176 813770894 /nfs/dbraw/zinc/77/08/94/813770894.db2.gz FHJPOLSLJNOVBF-KRWDZBQOSA-N 2 1 298.474 3.308 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001208597101 813771013 /nfs/dbraw/zinc/77/10/13/813771013.db2.gz CPCVJACDXBXELN-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208607065 813772489 /nfs/dbraw/zinc/77/24/89/813772489.db2.gz ILYZZILVSAWXKB-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208607065 813772494 /nfs/dbraw/zinc/77/24/94/813772494.db2.gz ILYZZILVSAWXKB-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208607065 813772497 /nfs/dbraw/zinc/77/24/97/813772497.db2.gz ILYZZILVSAWXKB-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208607065 813772501 /nfs/dbraw/zinc/77/25/01/813772501.db2.gz ILYZZILVSAWXKB-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(C=Cc4ccccc43)CC2)C1 ZINC001208606475 813773259 /nfs/dbraw/zinc/77/32/59/813773259.db2.gz GSGKBNHBSFOMCX-QGZVFWFLSA-N 2 1 296.458 3.389 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001208607883 813775544 /nfs/dbraw/zinc/77/55/44/813775544.db2.gz OFPBDQSFPQLOQN-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001208607883 813775548 /nfs/dbraw/zinc/77/55/48/813775548.db2.gz OFPBDQSFPQLOQN-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001208607883 813775554 /nfs/dbraw/zinc/77/55/54/813775554.db2.gz OFPBDQSFPQLOQN-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001208607883 813775560 /nfs/dbraw/zinc/77/55/60/813775560.db2.gz OFPBDQSFPQLOQN-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccccc2)C1 ZINC001208609728 813775812 /nfs/dbraw/zinc/77/58/12/813775812.db2.gz WZXVWUJZSAFPNU-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccccc2)C1 ZINC001208609728 813775817 /nfs/dbraw/zinc/77/58/17/813775817.db2.gz WZXVWUJZSAFPNU-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2)C1 ZINC001208609728 813775820 /nfs/dbraw/zinc/77/58/20/813775820.db2.gz WZXVWUJZSAFPNU-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2)C1 ZINC001208609728 813775823 /nfs/dbraw/zinc/77/58/23/813775823.db2.gz WZXVWUJZSAFPNU-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)CC(C)(C)C ZINC001208665248 813789516 /nfs/dbraw/zinc/78/95/16/813789516.db2.gz PMRKGIWBSBTPOQ-NVXWUHKLSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)CC(C)(C)C ZINC001208665248 813789523 /nfs/dbraw/zinc/78/95/23/813789523.db2.gz PMRKGIWBSBTPOQ-NVXWUHKLSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC001208665248 813789526 /nfs/dbraw/zinc/78/95/26/813789526.db2.gz PMRKGIWBSBTPOQ-NVXWUHKLSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCCc3ccc(F)cc3)C2)CC1 ZINC001208768491 813836121 /nfs/dbraw/zinc/83/61/21/813836121.db2.gz BOOSOEJLGJYDSO-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC4(C3)CCCC4)C2)cc1 ZINC001208943871 813905824 /nfs/dbraw/zinc/90/58/24/813905824.db2.gz VXKVZPGROGSWSG-GOSISDBHSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3C[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC001208946840 813907164 /nfs/dbraw/zinc/90/71/64/813907164.db2.gz IZQSGSIONDFVOP-FHWLQOOXSA-N 2 1 284.447 3.240 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CCc2cccs2)CC1 ZINC001209228445 813975931 /nfs/dbraw/zinc/97/59/31/813975931.db2.gz GDPLTOOLQHHSNN-UHFFFAOYSA-N 2 1 280.481 3.487 20 0 CGADMP CC[N@@H+](CCCCOCc1ccccc1)CCC[NH+](C)C ZINC001209261130 813988202 /nfs/dbraw/zinc/98/82/02/813988202.db2.gz CDGBTVAVECPFHF-UHFFFAOYSA-N 2 1 292.467 3.257 20 0 CGADMP CCOC(=[NH2+])c1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC001242675691 823095702 /nfs/dbraw/zinc/09/57/02/823095702.db2.gz ILQPRCJQPAXGQR-UHFFFAOYSA-N 2 1 266.344 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434496 814035490 /nfs/dbraw/zinc/03/54/90/814035490.db2.gz YYBSQOJEAKQPAX-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434496 814035498 /nfs/dbraw/zinc/03/54/98/814035498.db2.gz YYBSQOJEAKQPAX-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434496 814035504 /nfs/dbraw/zinc/03/55/04/814035504.db2.gz YYBSQOJEAKQPAX-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC001209490160 814057978 /nfs/dbraw/zinc/05/79/78/814057978.db2.gz QWMGTEJPWBYKDU-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC001209490160 814057982 /nfs/dbraw/zinc/05/79/82/814057982.db2.gz QWMGTEJPWBYKDU-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP C[C@H]1CC[N@@H+](CCCCCc2ccccc2)CC[NH2+]1 ZINC001210474081 814477684 /nfs/dbraw/zinc/47/76/84/814477684.db2.gz DPNUFAKIZVSTAN-INIZCTEOSA-N 2 1 260.425 3.083 20 0 CGADMP COc1cc[nH+]c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001210705375 814589352 /nfs/dbraw/zinc/58/93/52/814589352.db2.gz RXDNFWBPDSIICG-CQSZACIVSA-N 2 1 273.380 3.034 20 0 CGADMP COc1ccoc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222171660 816368436 /nfs/dbraw/zinc/36/84/36/816368436.db2.gz CVQKFFYXBVPXCG-KRWDZBQOSA-N 2 1 292.423 3.034 20 0 CGADMP COc1ccoc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222171660 816368443 /nfs/dbraw/zinc/36/84/43/816368443.db2.gz CVQKFFYXBVPXCG-KRWDZBQOSA-N 2 1 292.423 3.034 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191066 816372703 /nfs/dbraw/zinc/37/27/03/816372703.db2.gz IRUQLKKVLYDKDX-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191066 816372713 /nfs/dbraw/zinc/37/27/13/816372713.db2.gz IRUQLKKVLYDKDX-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP FC1(F)CCC(C[N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001222232569 816379200 /nfs/dbraw/zinc/37/92/00/816379200.db2.gz WLSMHJVPJLYCJB-AWEZNQCLSA-N 2 1 272.383 3.030 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc21 ZINC001222265360 816390192 /nfs/dbraw/zinc/39/01/92/816390192.db2.gz RXNPYWACAZMEKX-IBGZPJMESA-N 2 1 297.446 3.144 20 0 CGADMP Cn1c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc2ccccc21 ZINC001222264722 816390457 /nfs/dbraw/zinc/39/04/57/816390457.db2.gz HIHGRJPFYOJQEV-LJQANCHMSA-N 2 1 297.446 3.144 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc2ccccc21 ZINC001222264722 816390464 /nfs/dbraw/zinc/39/04/64/816390464.db2.gz HIHGRJPFYOJQEV-LJQANCHMSA-N 2 1 297.446 3.144 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)ccc21 ZINC001222314239 816405894 /nfs/dbraw/zinc/40/58/94/816405894.db2.gz DGGLPRXNWBYJSO-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615405 816478829 /nfs/dbraw/zinc/47/88/29/816478829.db2.gz PRJLICKWVUYLIA-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP CC[N@H+]1CC[C@@H](Oc2ccc3ccccc3c2C[NH+](C)C)C1 ZINC001228441965 817906457 /nfs/dbraw/zinc/90/64/57/817906457.db2.gz PCRWHSODBSWLHQ-MRXNPFEDSA-N 2 1 298.430 3.374 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001232015005 818232022 /nfs/dbraw/zinc/23/20/22/818232022.db2.gz ZIJBWGDZFDSVAD-CQSZACIVSA-N 2 1 292.386 3.338 20 0 CGADMP F[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC1(F)F ZINC001232011136 818233244 /nfs/dbraw/zinc/23/32/44/818233244.db2.gz HGCGRINSNDEVQP-CYBMUJFWSA-N 2 1 283.297 3.132 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001232012866 818233550 /nfs/dbraw/zinc/23/35/50/818233550.db2.gz VFHVUFDJJLWDKP-CHWSQXEVSA-N 2 1 255.365 3.185 20 0 CGADMP COc1cccc2c1C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232011468 818233961 /nfs/dbraw/zinc/23/39/61/818233961.db2.gz LRMYHQXNRAOXAP-UHFFFAOYSA-N 2 1 293.370 3.130 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232145922 818264139 /nfs/dbraw/zinc/26/41/39/818264139.db2.gz FJJQKPMPLLTLSP-OKILXGFUSA-N 2 1 278.415 3.365 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991384 818970328 /nfs/dbraw/zinc/97/03/28/818970328.db2.gz FIXBSVOBQBISKQ-IBGZPJMESA-N 2 1 297.446 3.237 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235000135 818973698 /nfs/dbraw/zinc/97/36/98/818973698.db2.gz OMQQUHLRQLXKBC-QGZVFWFLSA-N 2 1 290.476 3.292 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235000135 818973701 /nfs/dbraw/zinc/97/37/01/818973701.db2.gz OMQQUHLRQLXKBC-QGZVFWFLSA-N 2 1 290.476 3.292 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235007355 818978624 /nfs/dbraw/zinc/97/86/24/818978624.db2.gz MLMJQOZKQFCSOT-QZTJIDSGSA-N 2 1 294.483 3.071 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025248 818980907 /nfs/dbraw/zinc/98/09/07/818980907.db2.gz YTJWREGZPSAAJU-INIZCTEOSA-N 2 1 286.463 3.284 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033596 818985089 /nfs/dbraw/zinc/98/50/89/818985089.db2.gz ZRSDBXVMIVMPIY-IAGOWNOFSA-N 2 1 264.457 3.444 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235041318 818987697 /nfs/dbraw/zinc/98/76/97/818987697.db2.gz PEIQAIGOMCZDDG-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235047727 818991797 /nfs/dbraw/zinc/99/17/97/818991797.db2.gz VSENPPQHYCECNA-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072706 818994663 /nfs/dbraw/zinc/99/46/63/818994663.db2.gz LETVKKFEPBCBLY-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072706 818994671 /nfs/dbraw/zinc/99/46/71/818994671.db2.gz LETVKKFEPBCBLY-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc(C[NH+]2CC3(C2)CC[NH2+]CC3)c(Cl)c1Cl ZINC001235090346 818997740 /nfs/dbraw/zinc/99/77/40/818997740.db2.gz WZSFZJNPBHQSKZ-UHFFFAOYSA-N 2 1 299.245 3.487 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235103614 819002973 /nfs/dbraw/zinc/00/29/73/819002973.db2.gz VLHKSKNZZMWODN-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235101832 819003120 /nfs/dbraw/zinc/00/31/20/819003120.db2.gz GVOPSUNPJDZFRV-UHFFFAOYSA-N 2 1 280.415 3.476 20 0 CGADMP CC1=CC[C@@H](CC[NH+]2CCC3(CC[NH2+]3)CC2)C1(C)C ZINC001235105444 819003911 /nfs/dbraw/zinc/00/39/11/819003911.db2.gz DMCWPHWUFCIMSF-HNNXBMFYSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)s1 ZINC001235154348 819017782 /nfs/dbraw/zinc/01/77/82/819017782.db2.gz LCJFCAPVDKSYHC-MRXNPFEDSA-N 2 1 278.465 3.411 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156548 819018652 /nfs/dbraw/zinc/01/86/52/819018652.db2.gz HDBJLCMCEIIWCP-GOSISDBHSA-N 2 1 290.426 3.488 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc2c1CCN2 ZINC001235157876 819019202 /nfs/dbraw/zinc/01/92/02/819019202.db2.gz SIIXINQVORYPBY-LJQANCHMSA-N 2 1 299.462 3.009 20 0 CGADMP CC/C=C\CCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235170703 819023101 /nfs/dbraw/zinc/02/31/01/819023101.db2.gz FYJJWVNLLZTROP-MJSXRHKHSA-N 2 1 250.430 3.341 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247931 819048655 /nfs/dbraw/zinc/04/86/55/819048655.db2.gz IKSARJFMMGEQAI-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235271833 819059253 /nfs/dbraw/zinc/05/92/53/819059253.db2.gz PEXMVAAZNKEODX-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235271833 819059263 /nfs/dbraw/zinc/05/92/63/819059263.db2.gz PEXMVAAZNKEODX-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP c1cc(-c2cccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)c2)cs1 ZINC001235340021 819072360 /nfs/dbraw/zinc/07/23/60/819072360.db2.gz GNUQMQQISZSIIB-MRXNPFEDSA-N 2 1 298.455 3.456 20 0 CGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCCc1ccccc1)C2 ZINC001235399397 819084854 /nfs/dbraw/zinc/08/48/54/819084854.db2.gz AYINTRYTRGQBOH-ROUUACIJSA-N 2 1 290.426 3.033 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235407485 819087642 /nfs/dbraw/zinc/08/76/42/819087642.db2.gz SMTCHYMUOGQDOG-GVDBMIGSSA-N 2 1 282.447 3.392 20 0 CGADMP C1=CC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001235422309 819092950 /nfs/dbraw/zinc/09/29/50/819092950.db2.gz BEVDNONKNSTQOP-ULQDDVLXSA-N 2 1 262.441 3.054 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424858 819093229 /nfs/dbraw/zinc/09/32/29/819093229.db2.gz KWBGAJWFGLVEDQ-XHSDSOJGSA-N 2 1 252.446 3.134 20 0 CGADMP Fc1cccc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235428231 819094796 /nfs/dbraw/zinc/09/47/96/819094796.db2.gz UODXNGHXSOVPCY-SJORKVTESA-N 2 1 290.426 3.080 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)CC2CC[NH2+]CC2)c(C)c1C ZINC001235433786 819095671 /nfs/dbraw/zinc/09/56/71/819095671.db2.gz QHRQATWCHSWVEC-UHFFFAOYSA-N 2 1 290.451 3.052 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433360 819095933 /nfs/dbraw/zinc/09/59/33/819095933.db2.gz UWSCSGDEYFBCHG-UHFFFAOYSA-N 2 1 290.451 3.214 20 0 CGADMP CCCCCCOc1ccccc1C[N@H+](C)CCC[NH3+] ZINC001235435307 819097233 /nfs/dbraw/zinc/09/72/33/819097233.db2.gz IHSUAWAPUMXMPW-UHFFFAOYSA-N 2 1 278.440 3.426 20 0 CGADMP CCCCCCOc1ccccc1C[N@@H+](C)CCC[NH3+] ZINC001235435307 819097236 /nfs/dbraw/zinc/09/72/36/819097236.db2.gz IHSUAWAPUMXMPW-UHFFFAOYSA-N 2 1 278.440 3.426 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCC[NH3+] ZINC001235435300 819098366 /nfs/dbraw/zinc/09/83/66/819098366.db2.gz HVHQVHWJLXTYJD-HNNXBMFYSA-N 2 1 276.468 3.443 20 0 CGADMP CC1=CC[C@H](CC[N@H+](C)C2CC[NH2+]CC2)C1(C)C ZINC001235475424 819107710 /nfs/dbraw/zinc/10/77/10/819107710.db2.gz XSFHMECXRPNZIK-CQSZACIVSA-N 2 1 250.430 3.053 20 0 CGADMP CC1(C[N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001235663512 819132643 /nfs/dbraw/zinc/13/26/43/819132643.db2.gz HYIOXINLVZFPJT-KRWDZBQOSA-N 2 1 272.436 3.256 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)c1C ZINC001235673492 819133549 /nfs/dbraw/zinc/13/35/49/819133549.db2.gz AGQCCYSKZOIPHG-QGZVFWFLSA-N 2 1 274.452 3.399 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235672441 819134153 /nfs/dbraw/zinc/13/41/53/819134153.db2.gz DUXOCJMQERHQRW-GOSISDBHSA-N 2 1 274.452 3.460 20 0 CGADMP C[C@H]([NH3+])C[NH+]1CCC(CCc2ccc(Cl)cc2)CC1 ZINC001235694651 819143181 /nfs/dbraw/zinc/14/31/81/819143181.db2.gz HIPVDWAJWUNDMQ-ZDUSSCGKSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235694796 819143966 /nfs/dbraw/zinc/14/39/66/819143966.db2.gz KKPDBASONBFQKE-LSDHHAIUSA-N 2 1 297.446 3.365 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711577 819149147 /nfs/dbraw/zinc/14/91/47/819149147.db2.gz RDWFSIJCJJEYIW-UHFFFAOYSA-N 2 1 288.479 3.278 20 0 CGADMP c1cncc([C@@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)c1 ZINC001235714873 819150046 /nfs/dbraw/zinc/15/00/46/819150046.db2.gz LYXUMQSCMKGEEK-QGZVFWFLSA-N 2 1 287.451 3.183 20 0 CGADMP CCc1cccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235716959 819150308 /nfs/dbraw/zinc/15/03/08/819150308.db2.gz OZGKQZIFNPMUOD-UHFFFAOYSA-N 2 1 260.425 3.071 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1C ZINC001235717660 819151969 /nfs/dbraw/zinc/15/19/69/819151969.db2.gz XONGTBNPHBGSEH-UHFFFAOYSA-N 2 1 274.452 3.433 20 0 CGADMP CC(C)(C[N@H+]1CC[C@H](C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001235750696 819160265 /nfs/dbraw/zinc/16/02/65/819160265.db2.gz RZXHYCQCQPBOCM-GFCCVEGCSA-N 2 1 298.883 3.491 20 0 CGADMP Cc1c(C[N@H+]2CC[C@@H](C[NH3+])C2)cccc1-c1ccccc1 ZINC001235751436 819161045 /nfs/dbraw/zinc/16/10/45/819161045.db2.gz YYYQLNMMJNGXCD-INIZCTEOSA-N 2 1 280.415 3.443 20 0 CGADMP CC[N@@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH2+]CC1 ZINC001235762953 819163511 /nfs/dbraw/zinc/16/35/11/819163511.db2.gz XFVVQFGTTAGVDW-UHFFFAOYSA-N 2 1 283.419 3.051 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1 ZINC001235811698 819173692 /nfs/dbraw/zinc/17/36/92/819173692.db2.gz UJUYODAJXOZTPD-BJWYYQGGSA-N 2 1 272.436 3.438 20 0 CGADMP c1c(C[N@H+]2CCCc3ccccc3C2)sc2c1CC[NH2+]C2 ZINC001235834324 819180591 /nfs/dbraw/zinc/18/05/91/819180591.db2.gz MLUXAHAIQSUGFR-UHFFFAOYSA-N 2 1 298.455 3.342 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)s1 ZINC001235843530 819185111 /nfs/dbraw/zinc/18/51/11/819185111.db2.gz YEMZXEITKFGUJE-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235843129 819185262 /nfs/dbraw/zinc/18/52/62/819185262.db2.gz WEHVNTBIWHPJBD-ZDUSSCGKSA-N 2 1 274.433 3.251 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235842632 819185313 /nfs/dbraw/zinc/18/53/13/819185313.db2.gz QGCIOOIKGLQJMO-LLVKDONJSA-N 2 1 287.234 3.077 20 0 CGADMP C[NH2+]CCC[N@@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001235880943 819195039 /nfs/dbraw/zinc/19/50/39/819195039.db2.gz BYZQROQKPGMPFB-GFCCVEGCSA-N 2 1 287.234 3.392 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001235880943 819195043 /nfs/dbraw/zinc/19/50/43/819195043.db2.gz BYZQROQKPGMPFB-GFCCVEGCSA-N 2 1 287.234 3.392 20 0 CGADMP Fc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001235905970 819215974 /nfs/dbraw/zinc/21/59/74/819215974.db2.gz YXAMNMNNBYXIEQ-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925105 819223395 /nfs/dbraw/zinc/22/33/95/819223395.db2.gz ALQRUMREZUYFBE-LBPRGKRZSA-N 2 1 270.779 3.101 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925105 819223403 /nfs/dbraw/zinc/22/34/03/819223403.db2.gz ALQRUMREZUYFBE-LBPRGKRZSA-N 2 1 270.779 3.101 20 0 CGADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925939 819224624 /nfs/dbraw/zinc/22/46/24/819224624.db2.gz SOWXLWDHZPXTLK-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925939 819224630 /nfs/dbraw/zinc/22/46/30/819224630.db2.gz SOWXLWDHZPXTLK-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925928 819225522 /nfs/dbraw/zinc/22/55/22/819225522.db2.gz SHZTVPZMXNOQBL-INIZCTEOSA-N 2 1 290.451 3.404 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])ccc1OC(C)C ZINC001235926324 819226714 /nfs/dbraw/zinc/22/67/14/819226714.db2.gz YGEDXGJNCFJVKS-INIZCTEOSA-N 2 1 276.424 3.095 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)s1 ZINC001235937072 819232659 /nfs/dbraw/zinc/23/26/59/819232659.db2.gz HVXHFOWIRCNODA-ZIAGYGMSSA-N 2 1 278.465 3.132 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235939051 819232850 /nfs/dbraw/zinc/23/28/50/819232850.db2.gz NVCLPERFKTXERM-MSOLQXFVSA-N 2 1 272.436 3.071 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001235950143 819238976 /nfs/dbraw/zinc/23/89/76/819238976.db2.gz RKHBTMCKQKELOY-SJLPKXTDSA-N 2 1 288.435 3.364 20 0 CGADMP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)C[C@H]1CCC[NH2+]C1 ZINC001235950365 819240633 /nfs/dbraw/zinc/24/06/33/819240633.db2.gz CMZAQMZPMAAQLK-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC001235956792 819244393 /nfs/dbraw/zinc/24/43/93/819244393.db2.gz IIXQHZHYDOTIDN-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP C[N@H+](Cc1ccc2ccsc2c1)C[C@H]1CCC[NH2+]C1 ZINC001235956751 819244701 /nfs/dbraw/zinc/24/47/01/819244701.db2.gz HEODWBOSNTTXMJ-AWEZNQCLSA-N 2 1 274.433 3.333 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235958495 819245556 /nfs/dbraw/zinc/24/55/56/819245556.db2.gz GLNRSYNESMFGOT-BCDXTJNWSA-N 2 1 272.436 3.022 20 0 CGADMP C[N@@H+](Cc1ccccc1OC(C)(C)C)C[C@H]1CCC[NH2+]C1 ZINC001235957474 819245837 /nfs/dbraw/zinc/24/58/37/819245837.db2.gz PMWDSYGGZTWDCP-HNNXBMFYSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@H+](Cc1ccccc1OC(C)(C)C)C[C@H]1CCC[NH2+]C1 ZINC001235957474 819245843 /nfs/dbraw/zinc/24/58/43/819245843.db2.gz PMWDSYGGZTWDCP-HNNXBMFYSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@H+](Cc1cc2c(s1)C[NH2+]CC2)CC1CCCC1 ZINC001235959095 819247706 /nfs/dbraw/zinc/24/77/06/819247706.db2.gz SFWXYDFHGIZVPI-UHFFFAOYSA-N 2 1 264.438 3.016 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc3ccccc31)C2 ZINC001235958889 819247845 /nfs/dbraw/zinc/24/78/45/819247845.db2.gz LCUHPMJGGZXTNK-ALXJQNPVSA-N 2 1 266.388 3.009 20 0 CGADMP [NH3+]Cc1cccc(C[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001235962001 819249048 /nfs/dbraw/zinc/24/90/48/819249048.db2.gz GPRDDUWPLVYAPE-UHFFFAOYSA-N 2 1 278.399 3.435 20 0 CGADMP CC[N@H+](Cc1ccc2cccccc1-2)[C@H]1CCC[NH2+]C1 ZINC001236009327 819273951 /nfs/dbraw/zinc/27/39/51/819273951.db2.gz LSJQHPZZGYRASG-KRWDZBQOSA-N 2 1 268.404 3.365 20 0 CGADMP CC[N@@H+](Cc1ccc2cccccc1-2)[C@H]1CCC[NH2+]C1 ZINC001236009327 819273955 /nfs/dbraw/zinc/27/39/55/819273955.db2.gz LSJQHPZZGYRASG-KRWDZBQOSA-N 2 1 268.404 3.365 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236044837 819281480 /nfs/dbraw/zinc/28/14/80/819281480.db2.gz AMLITGNTVQYKBY-XJKSGUPXSA-N 2 1 268.404 3.317 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001236052847 819288954 /nfs/dbraw/zinc/28/89/54/819288954.db2.gz VWJHFRSTDWRYNC-RDTXWAMCSA-N 2 1 296.414 3.228 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001236052847 819288959 /nfs/dbraw/zinc/28/89/59/819288959.db2.gz VWJHFRSTDWRYNC-RDTXWAMCSA-N 2 1 296.414 3.228 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C1 ZINC001236066450 819297980 /nfs/dbraw/zinc/29/79/80/819297980.db2.gz JEIZUNWNZUUONJ-CVEARBPZSA-N 2 1 284.488 3.149 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@H](C)CCC=C(C)C)C1 ZINC001236065993 819298062 /nfs/dbraw/zinc/29/80/62/819298062.db2.gz FHNLJIIPIAAKQD-HZPDHXFCSA-N 2 1 252.446 3.300 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C1 ZINC001236066455 819298136 /nfs/dbraw/zinc/29/81/36/819298136.db2.gz JEIZUNWNZUUONJ-HZPDHXFCSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001236070220 819299934 /nfs/dbraw/zinc/29/99/34/819299934.db2.gz KIFOMMOWNXETQW-NUEKZKHPSA-N 2 1 294.389 3.314 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001236070220 819299939 /nfs/dbraw/zinc/29/99/39/819299939.db2.gz KIFOMMOWNXETQW-NUEKZKHPSA-N 2 1 294.389 3.314 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CCCC[NH3+] ZINC001236141537 819342334 /nfs/dbraw/zinc/34/23/34/819342334.db2.gz HWAIHWDATHLPFC-UHFFFAOYSA-N 2 1 254.805 3.128 20 0 CGADMP C[N@@H+](CC[C@H]1COC(C)(C)N1)C(C)(C)Cc1ccccc1 ZINC001236154697 819349155 /nfs/dbraw/zinc/34/91/55/819349155.db2.gz CTLOAZLJIGPFCR-INIZCTEOSA-N 2 1 290.451 3.054 20 0 CGADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)C(C)(C)Cc1ccccc1 ZINC001236154697 819349163 /nfs/dbraw/zinc/34/91/63/819349163.db2.gz CTLOAZLJIGPFCR-INIZCTEOSA-N 2 1 290.451 3.054 20 0 CGADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)C(C)(C)Cc1ccccc1 ZINC001236154697 819349166 /nfs/dbraw/zinc/34/91/66/819349166.db2.gz CTLOAZLJIGPFCR-INIZCTEOSA-N 2 1 290.451 3.054 20 0 CGADMP CCC[N@@H+](CCCc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236180980 819358990 /nfs/dbraw/zinc/35/89/90/819358990.db2.gz QTXXQZSGHKIISQ-UHFFFAOYSA-N 2 1 290.451 3.092 20 0 CGADMP CC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1cccc(Cl)c1 ZINC001236192614 819364653 /nfs/dbraw/zinc/36/46/53/819364653.db2.gz HCHCRIBHDJKFAQ-HNNXBMFYSA-N 2 1 296.842 3.277 20 0 CGADMP CC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1cccc(Cl)c1 ZINC001236192614 819364660 /nfs/dbraw/zinc/36/46/60/819364660.db2.gz HCHCRIBHDJKFAQ-HNNXBMFYSA-N 2 1 296.842 3.277 20 0 CGADMP C[N@@H+](Cc1ccc2cccccc1-2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213636 819375841 /nfs/dbraw/zinc/37/58/41/819375841.db2.gz CQDBYUUUKVLZIM-MSOLQXFVSA-N 2 1 268.404 3.493 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc3c2CCC3)CC1 ZINC001236215587 819377660 /nfs/dbraw/zinc/37/76/60/819377660.db2.gz CSIDFUGKPIGTRZ-UHFFFAOYSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215861 819380296 /nfs/dbraw/zinc/38/02/96/819380296.db2.gz IQEKDWHYUQBBTG-HZPDHXFCSA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215861 819380298 /nfs/dbraw/zinc/38/02/98/819380298.db2.gz IQEKDWHYUQBBTG-HZPDHXFCSA-N 2 1 264.388 3.144 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1CC ZINC001236219172 819386194 /nfs/dbraw/zinc/38/61/94/819386194.db2.gz VJKNEKCHUYAATN-IAGOWNOFSA-N 2 1 290.451 3.349 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1CC ZINC001236219172 819386200 /nfs/dbraw/zinc/38/62/00/819386200.db2.gz VJKNEKCHUYAATN-IAGOWNOFSA-N 2 1 290.451 3.349 20 0 CGADMP C[N@@H+](Cc1cccc2ccoc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219233 819386842 /nfs/dbraw/zinc/38/68/42/819386842.db2.gz UWLLBSIYBITOSX-CABCVRRESA-N 2 1 258.365 3.135 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236226096 819390990 /nfs/dbraw/zinc/39/09/90/819390990.db2.gz ICRZVZDMMGLRLD-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236226096 819390997 /nfs/dbraw/zinc/39/09/97/819390997.db2.gz ICRZVZDMMGLRLD-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+](C)CC1(F)CC[NH2+]CC1 ZINC001236245275 819402237 /nfs/dbraw/zinc/40/22/37/819402237.db2.gz SGPNRBNQCZAHPC-GFCCVEGCSA-N 2 1 284.806 3.425 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CC1(F)CC[NH2+]CC1 ZINC001236245275 819402242 /nfs/dbraw/zinc/40/22/42/819402242.db2.gz SGPNRBNQCZAHPC-GFCCVEGCSA-N 2 1 284.806 3.425 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1(C)C ZINC001236315293 819421241 /nfs/dbraw/zinc/42/12/41/819421241.db2.gz ZWJVDRTZAIBZLT-BBWFWOEESA-N 2 1 276.468 3.300 20 0 CGADMP CCC[N@H+](Cc1cccc2ccoc21)[C@@H]1CC[NH2+]C1 ZINC001236323621 819425567 /nfs/dbraw/zinc/42/55/67/819425567.db2.gz HSZQTDBMAGBWKX-OAHLLOKOSA-N 2 1 258.365 3.007 20 0 CGADMP CCC[N@@H+](Cc1cccc2ccoc21)[C@@H]1CC[NH2+]C1 ZINC001236323621 819425571 /nfs/dbraw/zinc/42/55/71/819425571.db2.gz HSZQTDBMAGBWKX-OAHLLOKOSA-N 2 1 258.365 3.007 20 0 CGADMP CCCC[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236380477 819443073 /nfs/dbraw/zinc/44/30/73/819443073.db2.gz HSTBUTYRDSGGAG-UHFFFAOYSA-N 2 1 278.415 3.427 20 0 CGADMP CC[N@@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236408976 819456218 /nfs/dbraw/zinc/45/62/18/819456218.db2.gz VGCKCPUVJWXYFZ-LSDHHAIUSA-N 2 1 254.462 3.380 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001236414647 819459920 /nfs/dbraw/zinc/45/99/20/819459920.db2.gz LOUGRWIIUVDVJE-WMZOPIPTSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001236414647 819459922 /nfs/dbraw/zinc/45/99/22/819459922.db2.gz LOUGRWIIUVDVJE-WMZOPIPTSA-N 2 1 290.451 3.185 20 0 CGADMP C[NH+](C)Cc1cccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)c1 ZINC001236416483 819462201 /nfs/dbraw/zinc/46/22/01/819462201.db2.gz LZIIETDZZNJIFF-UHFFFAOYSA-N 2 1 295.308 3.411 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236420703 819466621 /nfs/dbraw/zinc/46/66/21/819466621.db2.gz QKVWPVLCJZFEMV-IFXJQAMLSA-N 2 1 296.414 3.371 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236420703 819466627 /nfs/dbraw/zinc/46/66/27/819466627.db2.gz QKVWPVLCJZFEMV-IFXJQAMLSA-N 2 1 296.414 3.371 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236477904 819495147 /nfs/dbraw/zinc/49/51/47/819495147.db2.gz STYQGWPGPQYDEP-QGZVFWFLSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236477904 819495151 /nfs/dbraw/zinc/49/51/51/819495151.db2.gz STYQGWPGPQYDEP-QGZVFWFLSA-N 2 1 278.415 3.344 20 0 CGADMP CNc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236554732 819535001 /nfs/dbraw/zinc/53/50/01/819535001.db2.gz SRDBYBRYWOISTJ-SAABIXHNSA-N 2 1 289.467 3.456 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2CCCCN2)C2CCCCC2)CC1 ZINC001236565636 819538105 /nfs/dbraw/zinc/53/81/05/819538105.db2.gz KHWSAJNWDCFUHB-BQFCYCMXSA-N 2 1 293.499 3.033 20 0 CGADMP CC/C=C\CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584756 819545461 /nfs/dbraw/zinc/54/54/61/819545461.db2.gz SGHJRVSLXWMZAY-JZIMQPMSSA-N 2 1 250.430 3.197 20 0 CGADMP Cn1ccc2cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)ccc21 ZINC001236597835 819548639 /nfs/dbraw/zinc/54/86/39/819548639.db2.gz FTFKUAOBUNVSES-INIZCTEOSA-N 2 1 297.446 3.142 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236618157 819554265 /nfs/dbraw/zinc/55/42/65/819554265.db2.gz ZBZZGDXQLCKMPQ-QGZVFWFLSA-N 2 1 258.409 3.125 20 0 CGADMP c1cc2c(cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1)NCCC2 ZINC001236637147 819556547 /nfs/dbraw/zinc/55/65/47/819556547.db2.gz NDXPTBIXHIPXDE-UHFFFAOYSA-N 2 1 299.462 3.151 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC001236817236 819606475 /nfs/dbraw/zinc/60/64/75/819606475.db2.gz AMUUBVUPZJYUEC-APHBMKBZSA-N 2 1 278.465 3.260 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1(C)C ZINC001236818241 819606533 /nfs/dbraw/zinc/60/65/33/819606533.db2.gz HHFAJLDRWVEIQS-ZJIFWQFVSA-N 2 1 262.441 3.038 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236827467 819609829 /nfs/dbraw/zinc/60/98/29/819609829.db2.gz GBBDLHAOJJUNOR-APHBMKBZSA-N 2 1 286.444 3.379 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)CC1(C)CCCCC1 ZINC001236827274 819610164 /nfs/dbraw/zinc/61/01/64/819610164.db2.gz FAQXWUJKDFXEFW-HNNXBMFYSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1C ZINC001236832688 819611735 /nfs/dbraw/zinc/61/17/35/819611735.db2.gz WUQCDZHXJJXPDX-UHOSZYNNSA-N 2 1 286.463 3.398 20 0 CGADMP CCC[N@H+](Cc1cccc2c1CCCC2)C[C@@H]1CC[NH2+]C1 ZINC001236843215 819618489 /nfs/dbraw/zinc/61/84/89/819618489.db2.gz LSDILOFQDHLJAN-MRXNPFEDSA-N 2 1 286.463 3.387 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001237081765 819662592 /nfs/dbraw/zinc/66/25/92/819662592.db2.gz MIOFMCDILUIVKW-INIZCTEOSA-N 2 1 280.843 3.463 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001237081765 819662597 /nfs/dbraw/zinc/66/25/97/819662597.db2.gz MIOFMCDILUIVKW-INIZCTEOSA-N 2 1 280.843 3.463 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c2ccccc12 ZINC001237203528 819697568 /nfs/dbraw/zinc/69/75/68/819697568.db2.gz HVLGGQPZOFHQDN-HIFRSBDPSA-N 2 1 254.377 3.070 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c2ccccc12 ZINC001237203528 819697570 /nfs/dbraw/zinc/69/75/70/819697570.db2.gz HVLGGQPZOFHQDN-HIFRSBDPSA-N 2 1 254.377 3.070 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237357874 819734973 /nfs/dbraw/zinc/73/49/73/819734973.db2.gz AIRKRXRWJJFSDR-LZLYRXPVSA-N 2 1 294.442 3.293 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382125 819737380 /nfs/dbraw/zinc/73/73/80/819737380.db2.gz LFPXWNYUNIZZGX-BRWVUGGUSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382125 819737382 /nfs/dbraw/zinc/73/73/82/819737382.db2.gz LFPXWNYUNIZZGX-BRWVUGGUSA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1)c1ccccc1 ZINC001237384931 819740008 /nfs/dbraw/zinc/74/00/08/819740008.db2.gz ZATQPGLCXLZJQH-WMZOPIPTSA-N 2 1 286.463 3.428 20 0 CGADMP Oc1cc2ccccc2c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412363 819747051 /nfs/dbraw/zinc/74/70/51/819747051.db2.gz IEOIPZDCHOJJLM-HNAYVOBHSA-N 2 1 296.414 3.119 20 0 CGADMP Oc1cc2ccccc2c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412363 819747055 /nfs/dbraw/zinc/74/70/55/819747055.db2.gz IEOIPZDCHOJJLM-HNAYVOBHSA-N 2 1 296.414 3.119 20 0 CGADMP [NH3+]Cc1cncc(-c2ccc3[nH]c4cc[nH+]cc4c3c2)c1 ZINC001239809860 820624873 /nfs/dbraw/zinc/62/48/73/820624873.db2.gz YOUHRLGUYQALFG-UHFFFAOYSA-N 2 1 274.327 3.237 20 0 CGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240656526 821220971 /nfs/dbraw/zinc/22/09/71/821220971.db2.gz CZZXYJKLFSODKH-SFHVURJKSA-N 2 1 285.435 3.395 20 0 CGADMP CC[N@H+]1CCCC[C@H]1c1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240656754 821221348 /nfs/dbraw/zinc/22/13/48/821221348.db2.gz LBMNHEDHTJQJTN-KRWDZBQOSA-N 2 1 271.408 3.005 20 0 CGADMP C[C@@H]([NH3+])c1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001241817730 822159830 /nfs/dbraw/zinc/15/98/30/822159830.db2.gz JBVZCNMZCATATH-OAHLLOKOSA-N 2 1 296.414 3.206 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc2c(c1)CCC21CC[NH2+]CC1 ZINC001242084616 822341655 /nfs/dbraw/zinc/34/16/55/822341655.db2.gz XCQPWMYXMWHLLU-UHFFFAOYSA-N 2 1 293.414 3.207 20 0 CGADMP CC[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC001339458742 936374027 /nfs/dbraw/zinc/37/40/27/936374027.db2.gz NALULPDSHZGPFL-KRWDZBQOSA-N 2 1 281.403 3.182 20 0 CGADMP CC(C[NH+]1CC2CCC1CC2)C[N@H+]1CC2CCC1CC2 ZINC001341665974 936446642 /nfs/dbraw/zinc/44/66/42/936446642.db2.gz HNLNLSJVRVZCET-UHFFFAOYSA-N 2 1 276.468 3.371 20 0 CGADMP Cc1cccnc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC001342118043 936460060 /nfs/dbraw/zinc/46/00/60/936460060.db2.gz HCFVLKRKADFISZ-MRXNPFEDSA-N 2 1 275.440 3.134 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]2C1 ZINC001343332427 936495273 /nfs/dbraw/zinc/49/52/73/936495273.db2.gz DHRXBKUKOAGWNZ-XJKCOSOUSA-N 2 1 294.389 3.127 20 0 CGADMP CC1(C)[C@@H]([NH2+]Cc2cccc(C(F)F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001354238695 937095308 /nfs/dbraw/zinc/09/53/08/937095308.db2.gz XXXCGRXMWXTMJN-ILXRZTDVSA-N 2 1 294.389 3.490 20 0 CGADMP CCCC[N@@H+](C[C@H](O)CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001460549575 937534345 /nfs/dbraw/zinc/53/43/45/937534345.db2.gz XDIOQMUKIZQLRY-OAHLLOKOSA-N 2 1 284.488 3.169 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1 ZINC001460558196 937534430 /nfs/dbraw/zinc/53/44/30/937534430.db2.gz GKOGOXQVRCRICP-RTBURBONSA-N 2 1 286.463 3.413 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC001460799574 937545926 /nfs/dbraw/zinc/54/59/26/937545926.db2.gz FHWHNGXBQSHQGC-ZACQAIPSSA-N 2 1 287.451 3.418 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001460989187 937558061 /nfs/dbraw/zinc/55/80/61/937558061.db2.gz HMPDXCYJDRQCBO-UHFFFAOYSA-N 2 1 294.487 3.240 20 0 CGADMP C[C@H]1CCC[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001461109673 937564363 /nfs/dbraw/zinc/56/43/63/937564363.db2.gz KOGVXSMTBQCRBW-KBPBESRZSA-N 2 1 261.413 3.064 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461268694 937573289 /nfs/dbraw/zinc/57/32/89/937573289.db2.gz OBGWUFCKEVPDOV-GOSISDBHSA-N 2 1 274.452 3.256 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461268694 937573292 /nfs/dbraw/zinc/57/32/92/937573292.db2.gz OBGWUFCKEVPDOV-GOSISDBHSA-N 2 1 274.452 3.256 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001461644385 937589909 /nfs/dbraw/zinc/58/99/09/937589909.db2.gz WTCFIKQHHSOCFF-LZLYRXPVSA-N 2 1 294.483 3.331 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001461644385 937589911 /nfs/dbraw/zinc/58/99/11/937589911.db2.gz WTCFIKQHHSOCFF-LZLYRXPVSA-N 2 1 294.483 3.331 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H](C)CC[NH+](CC)CC)cc1F ZINC001461838409 937601193 /nfs/dbraw/zinc/60/11/93/937601193.db2.gz YTOXYQPNDBYHBN-AWEZNQCLSA-N 2 1 296.430 3.434 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CCCc1ccc(F)c(F)c1 ZINC001462145319 937620622 /nfs/dbraw/zinc/62/06/22/937620622.db2.gz HJNKENWISDFFCP-UHFFFAOYSA-N 2 1 293.361 3.082 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462442871 937641979 /nfs/dbraw/zinc/64/19/79/937641979.db2.gz QHCZJFSZTUWVLN-XIRDDKMYSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462442871 937641980 /nfs/dbraw/zinc/64/19/80/937641980.db2.gz QHCZJFSZTUWVLN-XIRDDKMYSA-N 2 1 264.457 3.418 20 0 CGADMP COc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC001308040805 933038827 /nfs/dbraw/zinc/03/88/27/933038827.db2.gz WDLXEHTYFBHCFA-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2NC)CC1 ZINC001462584628 937652150 /nfs/dbraw/zinc/65/21/50/937652150.db2.gz GYHXHJKLGVOQCZ-UHFFFAOYSA-N 2 1 287.451 3.179 20 0 CGADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1C ZINC001308087995 933046078 /nfs/dbraw/zinc/04/60/78/933046078.db2.gz CIEQUOVNFCICOR-KRWDZBQOSA-N 2 1 295.430 3.409 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+]CC1CCC(C(C)C)CC1 ZINC001308198039 933070607 /nfs/dbraw/zinc/07/06/07/933070607.db2.gz TUFQMYDZMCSFNQ-UHFFFAOYSA-N 2 1 284.488 3.007 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001462673631 937658855 /nfs/dbraw/zinc/65/88/55/937658855.db2.gz XULMIXQNDNLSES-CWVYHPPDSA-N 2 1 264.457 3.131 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001308458138 933113606 /nfs/dbraw/zinc/11/36/06/933113606.db2.gz SFDCWOCMUJZQQV-UHFFFAOYSA-N 2 1 277.456 3.104 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001308458138 933113610 /nfs/dbraw/zinc/11/36/10/933113610.db2.gz SFDCWOCMUJZQQV-UHFFFAOYSA-N 2 1 277.456 3.104 20 0 CGADMP CCc1cccc2cc(C[NH2+]CC[C@H](C)[NH+](C)C)oc21 ZINC001308479976 933117381 /nfs/dbraw/zinc/11/73/81/933117381.db2.gz XIUTWLSLZVSFSR-ZDUSSCGKSA-N 2 1 274.408 3.425 20 0 CGADMP CCNc1ccccc1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC001308601592 933140394 /nfs/dbraw/zinc/14/03/94/933140394.db2.gz UYGZHDJCNVBWFO-GOEBONIOSA-N 2 1 275.440 3.033 20 0 CGADMP CCNc1ccccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001308601592 933140398 /nfs/dbraw/zinc/14/03/98/933140398.db2.gz UYGZHDJCNVBWFO-GOEBONIOSA-N 2 1 275.440 3.033 20 0 CGADMP CCNc1ccccc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001308601592 933140402 /nfs/dbraw/zinc/14/04/02/933140402.db2.gz UYGZHDJCNVBWFO-GOEBONIOSA-N 2 1 275.440 3.033 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC001319468700 933881805 /nfs/dbraw/zinc/88/18/05/933881805.db2.gz FNQZYMZBRPKAJO-LRDDRELGSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC001319468700 933881810 /nfs/dbraw/zinc/88/18/10/933881810.db2.gz FNQZYMZBRPKAJO-LRDDRELGSA-N 2 1 294.389 3.274 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001323134274 934366083 /nfs/dbraw/zinc/36/60/83/934366083.db2.gz JDKVSAAYCKKDKM-HOTGVXAUSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001323134274 934366092 /nfs/dbraw/zinc/36/60/92/934366092.db2.gz JDKVSAAYCKKDKM-HOTGVXAUSA-N 2 1 261.413 3.094 20 0 CGADMP C[C@H](CC[NH2+]Cc1cccn1C1CC1)[NH+]1CCCCC1 ZINC001324662312 934544146 /nfs/dbraw/zinc/54/41/46/934544146.db2.gz ZPEGHAIJSIUOLU-OAHLLOKOSA-N 2 1 275.440 3.177 20 0 CGADMP CCc1nc(NCCC2CC[NH+](C(C)C)CC2)cc(C)[nH+]1 ZINC001472844058 937786530 /nfs/dbraw/zinc/78/65/30/937786530.db2.gz BYFGUHNCHXAWJQ-UHFFFAOYSA-N 2 1 290.455 3.270 20 0 CGADMP CCC[C@H](O)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001473303446 937800985 /nfs/dbraw/zinc/80/09/85/937800985.db2.gz PMABZFCSEUBRMA-SFHVURJKSA-N 2 1 298.515 3.227 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC001326034912 934946207 /nfs/dbraw/zinc/94/62/07/934946207.db2.gz BEKBNOXCFUDOLI-ZWNOBZJWSA-N 2 1 284.856 3.465 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583424 934992234 /nfs/dbraw/zinc/99/22/34/934992234.db2.gz JIWDAVDXSWVVHD-CQSZACIVSA-N 2 1 276.399 3.352 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC001328086527 935115734 /nfs/dbraw/zinc/11/57/34/935115734.db2.gz SVMLTRSKRSEASI-FUHWJXTLSA-N 2 1 289.467 3.114 20 0 CGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329499378 935220931 /nfs/dbraw/zinc/22/09/31/935220931.db2.gz ONFPRGBVNQNXQJ-GFCCVEGCSA-N 2 1 291.266 3.036 20 0 CGADMP c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530195 935293006 /nfs/dbraw/zinc/29/30/06/935293006.db2.gz WEWYUQSARCYTSH-BEFAXECRSA-N 2 1 299.462 3.272 20 0 CGADMP c1ccc([C@H]2CSCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC001333159929 935515057 /nfs/dbraw/zinc/51/50/57/935515057.db2.gz BGNKIZLYNPPIKD-DOTOQJQBSA-N 2 1 290.476 3.166 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@H]2C1 ZINC001334356063 936099073 /nfs/dbraw/zinc/09/90/73/936099073.db2.gz JXJOYAQJSWRYFE-PDCGBLAGSA-N 2 1 276.468 3.085 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001335583846 936153724 /nfs/dbraw/zinc/15/37/24/936153724.db2.gz SBZVXERFEFZRAW-AKHDSKFASA-N 2 1 298.474 3.379 20 0 CGADMP CCC1(C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC001473910662 937829642 /nfs/dbraw/zinc/82/96/42/937829642.db2.gz WXJMJZDYVHHOKR-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C[C@H](C)O1 ZINC001474016108 937835339 /nfs/dbraw/zinc/83/53/39/937835339.db2.gz MHOBFHYWIWADSP-IJTOGUNISA-N 2 1 294.483 3.044 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC001474223857 937844662 /nfs/dbraw/zinc/84/46/62/937844662.db2.gz YXBIDDMSALNUFC-UHFFFAOYSA-N 2 1 297.427 3.481 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC001474611637 937870012 /nfs/dbraw/zinc/87/00/12/937870012.db2.gz MXXPUKZNKMWVTG-HNNXBMFYSA-N 2 1 272.477 3.005 20 0 CGADMP CO[C@H](CC(C)C)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001474681302 937874924 /nfs/dbraw/zinc/87/49/24/937874924.db2.gz BZOAUOXLULMICW-QGZVFWFLSA-N 2 1 284.488 3.245 20 0 CGADMP Cc1ccccc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001474757849 937879158 /nfs/dbraw/zinc/87/91/58/937879158.db2.gz RFEMBDBIBSINLS-KDURUIRLSA-N 2 1 284.447 3.303 20 0 CGADMP Cc1ccccc1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001474757849 937879160 /nfs/dbraw/zinc/87/91/60/937879160.db2.gz RFEMBDBIBSINLS-KDURUIRLSA-N 2 1 284.447 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540291 938167819 /nfs/dbraw/zinc/16/78/19/938167819.db2.gz BBJCPAFNSRIICQ-IIYDPXPESA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540291 938167820 /nfs/dbraw/zinc/16/78/20/938167820.db2.gz BBJCPAFNSRIICQ-IIYDPXPESA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540291 938167821 /nfs/dbraw/zinc/16/78/21/938167821.db2.gz BBJCPAFNSRIICQ-IIYDPXPESA-N 2 1 294.389 3.299 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC34CCC4)CC[NH2+]2)cc1 ZINC001551379393 938180813 /nfs/dbraw/zinc/18/08/13/938180813.db2.gz NVIPIHMYQMMSJY-JYJNAYRXSA-N 2 1 256.393 3.012 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C2CCCCC2)C1 ZINC001559977518 938240634 /nfs/dbraw/zinc/24/06/34/938240634.db2.gz WZIUBPMNHLFIII-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001559977518 938240635 /nfs/dbraw/zinc/24/06/35/938240635.db2.gz WZIUBPMNHLFIII-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001559977518 938240636 /nfs/dbraw/zinc/24/06/36/938240636.db2.gz WZIUBPMNHLFIII-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CCCCc3ccccc3)C[C@]2(C)C1 ZINC001560043988 938242399 /nfs/dbraw/zinc/24/23/99/938242399.db2.gz QAUPLFTYSWZVQK-OALUTQOASA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001560155205 938245512 /nfs/dbraw/zinc/24/55/12/938245512.db2.gz FINVGGXISOPLRE-GJZGRUSLSA-N 2 1 299.393 3.492 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCc2ccccc21 ZINC001560155614 938245643 /nfs/dbraw/zinc/24/56/43/938245643.db2.gz PTTJUWCBDSUYHT-BEFAXECRSA-N 2 1 293.414 3.280 20 0 CGADMP CCc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC001560238053 938248298 /nfs/dbraw/zinc/24/82/98/938248298.db2.gz IJOKIDQOEZMPFC-SFHVURJKSA-N 2 1 272.436 3.091 20 0 CGADMP CCc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC001560238053 938248299 /nfs/dbraw/zinc/24/82/99/938248299.db2.gz IJOKIDQOEZMPFC-SFHVURJKSA-N 2 1 272.436 3.091 20 0 CGADMP CCc1ccc2c(c1)CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001560238053 938248300 /nfs/dbraw/zinc/24/83/00/938248300.db2.gz IJOKIDQOEZMPFC-SFHVURJKSA-N 2 1 272.436 3.091 20 0 CGADMP CCc1ccc2c(c1)CC[NH+](CC[C@@H]1CCC[N@H+]1C)C2 ZINC001560238053 938248301 /nfs/dbraw/zinc/24/83/01/938248301.db2.gz IJOKIDQOEZMPFC-SFHVURJKSA-N 2 1 272.436 3.091 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC001560268164 938250219 /nfs/dbraw/zinc/25/02/19/938250219.db2.gz XOHMJTNYKAZIGI-QAPCUYQASA-N 2 1 290.451 3.184 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccccc2OC)C1 ZINC001560291577 938251221 /nfs/dbraw/zinc/25/12/21/938251221.db2.gz XAYGMMYLURQJFG-QKIRZYONSA-N 2 1 288.435 3.030 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001560312096 938252500 /nfs/dbraw/zinc/25/25/00/938252500.db2.gz TYVPRTFCNIVSHV-KLHDSHLOSA-N 2 1 252.446 3.275 20 0 CGADMP Fc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(F)c1F ZINC001560499568 938260596 /nfs/dbraw/zinc/26/05/96/938260596.db2.gz ICQZPISVHFASBV-UHFFFAOYSA-N 2 1 291.276 3.041 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(Cl)c1N ZINC001560624466 938266533 /nfs/dbraw/zinc/26/65/33/938266533.db2.gz PCLSETAWMMXEPF-LBPRGKRZSA-N 2 1 283.847 3.132 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCCc3sccc3C2)CC1 ZINC001560629010 938266919 /nfs/dbraw/zinc/26/69/19/938266919.db2.gz BCSVWDWMQXFTFH-UHFFFAOYSA-N 2 1 278.465 3.228 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC001560663968 938268386 /nfs/dbraw/zinc/26/83/86/938268386.db2.gz BDRJJRGWXNTGRW-SFHVURJKSA-N 2 1 272.436 3.035 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](CC)CC2)C1 ZINC001560676414 938269798 /nfs/dbraw/zinc/26/97/98/938269798.db2.gz CAKXKMNEGXCEKZ-JKSUJKDBSA-N 2 1 284.513 3.324 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001560803029 938276914 /nfs/dbraw/zinc/27/69/14/938276914.db2.gz KVVNRTLKYQGFOB-HZPDHXFCSA-N 2 1 274.452 3.111 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039046 938290819 /nfs/dbraw/zinc/29/08/19/938290819.db2.gz HIGUVTAOWBSACN-JKSUJKDBSA-N 2 1 266.473 3.498 20 0 CGADMP CC(C)CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001575564980 960470564 /nfs/dbraw/zinc/47/05/64/960470564.db2.gz HANATZOOGOEAKG-FXUDXRNXSA-N 2 1 252.446 3.321 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC001576502327 960477401 /nfs/dbraw/zinc/47/74/01/960477401.db2.gz ADHSODJBDOSDPJ-GOEBONIOSA-N 2 1 264.457 3.406 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCc1ccccc1Cl ZINC001575107727 962345384 /nfs/dbraw/zinc/34/53/84/962345384.db2.gz IIPVVKMKAVCEJX-CQSZACIVSA-N 2 1 268.832 3.236 20 0 CGADMP CC(C)[C@@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001575502278 962375869 /nfs/dbraw/zinc/37/58/69/962375869.db2.gz RZTFIDDUDMCQCF-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cc(F)ccc1N(C)C ZINC001575934487 962415827 /nfs/dbraw/zinc/41/58/27/962415827.db2.gz QJZPRNCUKIXXMW-VNHYZAJKSA-N 2 1 293.430 3.073 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC1(C)C)c1nccc2ccccc21 ZINC001576239654 962448378 /nfs/dbraw/zinc/44/83/78/962448378.db2.gz QTWRNHIDTFZHRJ-BBRMVZONSA-N 2 1 283.419 3.274 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])C1 ZINC001576427286 962461088 /nfs/dbraw/zinc/46/10/88/962461088.db2.gz VMDKMCHHZMRSBD-LSDHHAIUSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001576681800 962485540 /nfs/dbraw/zinc/48/55/40/962485540.db2.gz NWDULRIIIXCCAB-NRSFXHEJSA-N 2 1 272.436 3.158 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC001576748742 962492420 /nfs/dbraw/zinc/49/24/20/962492420.db2.gz NEWGGNGAZJENCR-FUBKXQHUSA-N 2 1 276.399 3.048 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001576749564 962493231 /nfs/dbraw/zinc/49/32/31/962493231.db2.gz RMGGUPZKTACMJC-FTRJEVOPSA-N 2 1 294.483 3.090 20 0 CGADMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC001577051515 962508734 /nfs/dbraw/zinc/50/87/34/962508734.db2.gz SFNQTUIJDMCGES-HNNXBMFYSA-N 2 1 294.439 3.328 20 0 CGADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC001577462850 962548948 /nfs/dbraw/zinc/54/89/48/962548948.db2.gz COFIHKKSHXSNKW-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC001577687670 962567955 /nfs/dbraw/zinc/56/79/55/962567955.db2.gz ORKMQBYUYALBQX-BBWFWOEESA-N 3 1 283.504 3.007 20 0 CGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578225515 962570664 /nfs/dbraw/zinc/57/06/64/962570664.db2.gz FGNQSPUUTUSJCB-YHUYYLMFSA-N 2 1 252.446 3.405 20 0 CGADMP CCc1cccc2cc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)oc21 ZINC001578268289 962585678 /nfs/dbraw/zinc/58/56/78/962585678.db2.gz DMWNGSXLKVTDJI-KRWDZBQOSA-N 2 1 272.392 3.166 20 0 CGADMP C[N@H+](CCCC1CC[NH2+]CC1)Cc1c(F)cccc1F ZINC001578464214 962595752 /nfs/dbraw/zinc/59/57/52/962595752.db2.gz ZZJHQYJDTXMHNS-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1c(F)cccc1F ZINC001578464214 962595768 /nfs/dbraw/zinc/59/57/68/962595768.db2.gz ZZJHQYJDTXMHNS-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001579267765 962616328 /nfs/dbraw/zinc/61/63/28/962616328.db2.gz WMLGJJVFNCBTEF-CXHZTBPHSA-N 2 1 288.435 3.206 20 0 CGADMP COc1ccccc1/C=C/C[NH2+][C@](C)(C[NH3+])CC(C)C ZINC001579306925 962618357 /nfs/dbraw/zinc/61/83/57/962618357.db2.gz IAAPQFXVGSTPTJ-LKUPDRCFSA-N 2 1 276.424 3.062 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC2(C[NH3+])CC2)c1 ZINC001579671694 962653997 /nfs/dbraw/zinc/65/39/97/962653997.db2.gz KURPBTLDMLQWIU-MRXNPFEDSA-N 2 1 258.409 3.179 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC001579754576 962671521 /nfs/dbraw/zinc/67/15/21/962671521.db2.gz HRUKUXFCMZAWQY-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP Cc1scc(C[NH2+][C@@](C)(C[NH3+])CC(C)C)c1C ZINC001579936902 962682693 /nfs/dbraw/zinc/68/26/93/962682693.db2.gz DDQXZMZYBVEDSZ-CQSZACIVSA-N 2 1 254.443 3.218 20 0 CGADMP CCOc1cncc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000621338879 349500991 /nfs/dbraw/zinc/50/09/91/349500991.db2.gz OHCCFKPQLPSZRC-UHFFFAOYSA-N 2 1 293.455 3.079 20 0 CGADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC(F)F)cc1 ZINC000124674838 187147963 /nfs/dbraw/zinc/14/79/63/187147963.db2.gz LNLXUAVSYCGRAY-AWEZNQCLSA-N 2 1 298.377 3.204 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC(F)F)cc1 ZINC000124674838 187147964 /nfs/dbraw/zinc/14/79/64/187147964.db2.gz LNLXUAVSYCGRAY-AWEZNQCLSA-N 2 1 298.377 3.204 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(OC(F)F)cc1 ZINC000124674838 187147965 /nfs/dbraw/zinc/14/79/65/187147965.db2.gz LNLXUAVSYCGRAY-AWEZNQCLSA-N 2 1 298.377 3.204 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(OC(F)F)cc1 ZINC000124674838 187147966 /nfs/dbraw/zinc/14/79/66/187147966.db2.gz LNLXUAVSYCGRAY-AWEZNQCLSA-N 2 1 298.377 3.204 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273069746 192036352 /nfs/dbraw/zinc/03/63/52/192036352.db2.gz NCLBJLFEKRQPAQ-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000651676000 398267590 /nfs/dbraw/zinc/26/75/90/398267590.db2.gz KZYXUXWEHTXOMC-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000621784328 349586640 /nfs/dbraw/zinc/58/66/40/349586640.db2.gz NJFVVOWQAXCKAS-COXVUDFISA-N 2 1 274.383 3.016 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000651866223 398298843 /nfs/dbraw/zinc/29/88/43/398298843.db2.gz ZWRZNTVUCPRPCU-OKZBNKHCSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337995626 214350964 /nfs/dbraw/zinc/35/09/64/214350964.db2.gz IYRZHXVRTGVHOT-HUUCEWRRSA-N 2 1 258.425 3.225 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000651910536 398305328 /nfs/dbraw/zinc/30/53/28/398305328.db2.gz XTDJOJIFQSCMGO-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(CC)CC ZINC000338013990 214361305 /nfs/dbraw/zinc/36/13/05/214361305.db2.gz CRBHTWNZGSSWEP-JKSUJKDBSA-N 2 1 293.455 3.155 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000338016441 214363186 /nfs/dbraw/zinc/36/31/86/214363186.db2.gz FAXRSSKCRUVSBG-INIZCTEOSA-N 2 1 290.386 3.103 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180644 529436944 /nfs/dbraw/zinc/43/69/44/529436944.db2.gz BKDXUWUMBDVHHL-KBAYOESNSA-N 2 1 289.467 3.366 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423456932 529453302 /nfs/dbraw/zinc/45/33/02/529453302.db2.gz DYKRZSNYMOWODQ-GUYCJALGSA-N 2 1 269.392 3.137 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)CC1 ZINC000277159480 282188138 /nfs/dbraw/zinc/18/81/38/282188138.db2.gz KBJFTRVSLKOCJI-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000423477351 529568647 /nfs/dbraw/zinc/56/86/47/529568647.db2.gz TVAOZWFWNGKCBF-CJNGLKHVSA-N 2 1 260.381 3.457 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@@H]1C ZINC000414098633 529592805 /nfs/dbraw/zinc/59/28/05/529592805.db2.gz QIKSIHJOOYXORG-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414177532 529605996 /nfs/dbraw/zinc/60/59/96/529605996.db2.gz JSOWBIDGAYCXRG-WBVHZDCISA-N 2 1 260.425 3.459 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000270663286 282205577 /nfs/dbraw/zinc/20/55/77/282205577.db2.gz QYBMZMPQROWKTM-QGZVFWFLSA-N 2 1 283.419 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000270663286 282205580 /nfs/dbraw/zinc/20/55/80/282205580.db2.gz QYBMZMPQROWKTM-QGZVFWFLSA-N 2 1 283.419 3.380 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623364510 349790948 /nfs/dbraw/zinc/79/09/48/349790948.db2.gz APYVFBQQDUEKPD-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623348827 349785571 /nfs/dbraw/zinc/78/55/71/349785571.db2.gz MLVACJDTZGFSEW-QWHCGFSZSA-N 2 1 266.454 3.142 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623372822 349792611 /nfs/dbraw/zinc/79/26/11/349792611.db2.gz HUPPCPCTGULMHI-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)CC1(C)C ZINC000623381901 349795188 /nfs/dbraw/zinc/79/51/88/349795188.db2.gz NRTHPFGUWOLYEU-LRDDRELGSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)CC1(C)C ZINC000623381901 349795192 /nfs/dbraw/zinc/79/51/92/349795192.db2.gz NRTHPFGUWOLYEU-LRDDRELGSA-N 2 1 276.399 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000273157558 192060592 /nfs/dbraw/zinc/06/05/92/192060592.db2.gz YZPCEWITWHOBRY-GOSISDBHSA-N 2 1 283.419 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000273157558 192060594 /nfs/dbraw/zinc/06/05/94/192060594.db2.gz YZPCEWITWHOBRY-GOSISDBHSA-N 2 1 283.419 3.380 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CCCC2)cn1 ZINC000126475279 187242555 /nfs/dbraw/zinc/24/25/55/187242555.db2.gz KJKBYMNYXQXDDW-CYBMUJFWSA-N 2 1 284.407 3.244 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623407495 349800452 /nfs/dbraw/zinc/80/04/52/349800452.db2.gz IOFDQUFAQYZWHZ-AWEZNQCLSA-N 2 1 294.414 3.187 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623407495 349800455 /nfs/dbraw/zinc/80/04/55/349800455.db2.gz IOFDQUFAQYZWHZ-AWEZNQCLSA-N 2 1 294.414 3.187 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623406087 349800996 /nfs/dbraw/zinc/80/09/96/349800996.db2.gz JJCIWIXZWIEFDH-OAHLLOKOSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623406087 349800999 /nfs/dbraw/zinc/80/09/99/349800999.db2.gz JJCIWIXZWIEFDH-OAHLLOKOSA-N 2 1 276.399 3.277 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)c[nH]c21 ZINC000623429873 349806767 /nfs/dbraw/zinc/80/67/67/349806767.db2.gz TXZGBPGZNVKDNE-INIZCTEOSA-N 2 1 299.462 3.481 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623428740 349806627 /nfs/dbraw/zinc/80/66/27/349806627.db2.gz YKSNHNSYAZLHEE-MRXNPFEDSA-N 2 1 260.425 3.211 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C12CCCC2 ZINC000623436032 349808511 /nfs/dbraw/zinc/80/85/11/349808511.db2.gz ANAYAIYNQRCKIS-HRCADAONSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503342 349822033 /nfs/dbraw/zinc/82/20/33/349822033.db2.gz WBLWNHBCMQLQGB-NEPJUHHUSA-N 2 1 280.378 3.426 20 0 CGADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc(C)c1O ZINC000623504309 349822683 /nfs/dbraw/zinc/82/26/83/349822683.db2.gz IYTPBPKBNGUDJA-MRXNPFEDSA-N 2 1 290.451 3.014 20 0 CGADMP Cc1cscc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623509223 349823287 /nfs/dbraw/zinc/82/32/87/349823287.db2.gz WLTNIUSCPPNLRH-ZDUSSCGKSA-N 2 1 252.427 3.019 20 0 CGADMP Cc1cscc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623509223 349823296 /nfs/dbraw/zinc/82/32/96/349823296.db2.gz WLTNIUSCPPNLRH-ZDUSSCGKSA-N 2 1 252.427 3.019 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)CC1(C)C ZINC000623510564 349824069 /nfs/dbraw/zinc/82/40/69/349824069.db2.gz AZEDQQVRFDGPRE-MRXNPFEDSA-N 2 1 283.419 3.197 20 0 CGADMP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623492879 349820239 /nfs/dbraw/zinc/82/02/39/349820239.db2.gz MYIUIKZZGDXLHX-GHMZBOCLSA-N 2 1 266.351 3.180 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623546738 349831111 /nfs/dbraw/zinc/83/11/11/349831111.db2.gz PVJFTKRPCIFVJN-RDJZCZTQSA-N 2 1 289.467 3.255 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)[C@@H]2CCC[C@@H]21 ZINC000367597796 529806287 /nfs/dbraw/zinc/80/62/87/529806287.db2.gz CEEWJQMFHMYDPV-JYJNAYRXSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623654615 349856935 /nfs/dbraw/zinc/85/69/35/349856935.db2.gz DOHBDRRBXDNTJU-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000623656596 349857677 /nfs/dbraw/zinc/85/76/77/349857677.db2.gz YBOVSUGIOMCJSJ-CGICMKJESA-N 2 1 258.409 3.021 20 0 CGADMP C[N@@H+](CCOc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000358350629 529926253 /nfs/dbraw/zinc/92/62/53/529926253.db2.gz DORHQDRTGWYXRF-KRWDZBQOSA-N 2 1 298.430 3.293 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423241751 529978912 /nfs/dbraw/zinc/97/89/12/529978912.db2.gz IGJLZTJDTQMBRV-DZGCQCFKSA-N 2 1 266.816 3.175 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000423267025 529985610 /nfs/dbraw/zinc/98/56/10/529985610.db2.gz DPBTVHWZBHPKFO-ZJUUUORDSA-N 2 1 275.223 3.500 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423277873 529998600 /nfs/dbraw/zinc/99/86/00/529998600.db2.gz QHQTYDNRWWKTQV-ZDUSSCGKSA-N 2 1 266.388 3.202 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000423269153 529999138 /nfs/dbraw/zinc/99/91/38/529999138.db2.gz GUAYFRLHGLBADK-STQMWFEESA-N 2 1 260.381 3.247 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCCCC1CCOCC1)CC2 ZINC000369063325 530051748 /nfs/dbraw/zinc/05/17/48/530051748.db2.gz JJZBMXMDDZONBM-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCCCC1CCOCC1)CC2 ZINC000369063325 530051749 /nfs/dbraw/zinc/05/17/49/530051749.db2.gz JJZBMXMDDZONBM-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000037229565 344948977 /nfs/dbraw/zinc/94/89/77/344948977.db2.gz QIALDQJLMGDVJW-HNNXBMFYSA-N 2 1 276.424 3.140 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534873 345013208 /nfs/dbraw/zinc/01/32/08/345013208.db2.gz YMHFVIBZFIBHSO-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP c1ccc(CC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000090581175 345790331 /nfs/dbraw/zinc/79/03/31/345790331.db2.gz QAMVPCOXXJEHBK-QZTJIDSGSA-N 2 1 284.447 3.226 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090940962 345798254 /nfs/dbraw/zinc/79/82/54/345798254.db2.gz DXNDBPUSSRBZDJ-BBRMVZONSA-N 2 1 292.854 3.301 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000092796682 345859085 /nfs/dbraw/zinc/85/90/85/345859085.db2.gz MELDFCKJHNEEIT-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000128872660 346044686 /nfs/dbraw/zinc/04/46/86/346044686.db2.gz IIUVFNROBKHKQH-XVSSEFHLSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000128872660 346044689 /nfs/dbraw/zinc/04/46/89/346044689.db2.gz IIUVFNROBKHKQH-XVSSEFHLSA-N 2 1 278.362 3.037 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000177844913 232376333 /nfs/dbraw/zinc/37/63/33/232376333.db2.gz BFIGJFUEMQKAPF-KDOFPFPSSA-N 2 1 299.418 3.400 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000172625939 346228238 /nfs/dbraw/zinc/22/82/38/346228238.db2.gz RRJAJLJMZPOZEW-UHFFFAOYSA-N 2 1 277.456 3.110 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257667434 346400977 /nfs/dbraw/zinc/40/09/77/346400977.db2.gz HPYREZRKBXRPSZ-SFHVURJKSA-N 2 1 272.436 3.003 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)CC2)CC[N@@H+]1C ZINC000251693122 346389532 /nfs/dbraw/zinc/38/95/32/346389532.db2.gz AXAKQNKXQROTFL-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)CC2)CC[N@H+]1C ZINC000251693122 346389534 /nfs/dbraw/zinc/38/95/34/346389534.db2.gz AXAKQNKXQROTFL-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000252212522 346390735 /nfs/dbraw/zinc/39/07/35/346390735.db2.gz YLOZNUQOEVGDRY-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](F)CC[N@@H+](C)[C@H]1CCC[NH+](CC[C@H](C)F)CC1 ZINC000351729055 219189361 /nfs/dbraw/zinc/18/93/61/219189361.db2.gz CFGFJYGINBKDMA-ILXRZTDVSA-N 2 1 276.415 3.269 20 0 CGADMP C[C@@H](F)CC[NH+](C)[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC000351729055 219189364 /nfs/dbraw/zinc/18/93/64/219189364.db2.gz CFGFJYGINBKDMA-ILXRZTDVSA-N 2 1 276.415 3.269 20 0 CGADMP C[C@@H](F)CC[NH+](C)[C@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000351729055 219189366 /nfs/dbraw/zinc/18/93/66/219189366.db2.gz CFGFJYGINBKDMA-ILXRZTDVSA-N 2 1 276.415 3.269 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000624068197 349962251 /nfs/dbraw/zinc/96/22/51/349962251.db2.gz OIMODYGOQWPZMI-XLNGHYISSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000624068197 349962252 /nfs/dbraw/zinc/96/22/52/349962252.db2.gz OIMODYGOQWPZMI-XLNGHYISSA-N 2 1 272.436 3.251 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]CCC[N@H+](C)C(C)C ZINC000588177315 346754911 /nfs/dbraw/zinc/75/49/11/346754911.db2.gz BQGUCGFDBFRBIG-SSZFMOIBSA-N 2 1 260.425 3.410 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000624120580 349977050 /nfs/dbraw/zinc/97/70/50/349977050.db2.gz BWHCIPJMOJVSDS-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000624120580 349977053 /nfs/dbraw/zinc/97/70/53/349977053.db2.gz BWHCIPJMOJVSDS-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000624122327 349981243 /nfs/dbraw/zinc/98/12/43/349981243.db2.gz OKVDLIIRTREZGC-YJBOKZPZSA-N 2 1 287.451 3.255 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000339405939 215149287 /nfs/dbraw/zinc/14/92/87/215149287.db2.gz DQEJWBMIGPXOAT-KBPBESRZSA-N 2 1 293.480 3.133 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000624123169 349982938 /nfs/dbraw/zinc/98/29/38/349982938.db2.gz HBWYPQKZCXNSGD-QFBILLFUSA-N 2 1 286.463 3.256 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000624123506 349983191 /nfs/dbraw/zinc/98/31/91/349983191.db2.gz NGPXTNISSIOAME-XUWVNRHRSA-N 2 1 264.457 3.133 20 0 CGADMP C/C=C/C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624198752 349999769 /nfs/dbraw/zinc/99/97/69/349999769.db2.gz XAUYOBMTRPPEFA-OISMPBJASA-N 2 1 270.420 3.348 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000358141836 233063720 /nfs/dbraw/zinc/06/37/20/233063720.db2.gz ZXEVZMXXFRUDKS-CABCVRRESA-N 2 1 296.817 3.238 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3(C(C)C)CC3)sc2C1 ZINC000339504444 215215156 /nfs/dbraw/zinc/21/51/56/215215156.db2.gz KIHXOYWMJLQULS-UHFFFAOYSA-N 2 1 293.480 3.188 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3(C(C)C)CC3)sc2C1 ZINC000339504444 215215158 /nfs/dbraw/zinc/21/51/58/215215158.db2.gz KIHXOYWMJLQULS-UHFFFAOYSA-N 2 1 293.480 3.188 20 0 CGADMP Cc1cc(C)cc(OCC[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000619231394 349224571 /nfs/dbraw/zinc/22/45/71/349224571.db2.gz SYWJSTNOKYFLDB-UHFFFAOYSA-N 2 1 290.451 3.100 20 0 CGADMP Cc1cc(C)cc(OCC[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000619231394 349224574 /nfs/dbraw/zinc/22/45/74/349224574.db2.gz SYWJSTNOKYFLDB-UHFFFAOYSA-N 2 1 290.451 3.100 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)CC[N@H+]1C ZINC000624267612 350014685 /nfs/dbraw/zinc/01/46/85/350014685.db2.gz SRPLSKBNPFETJB-YJBOKZPZSA-N 2 1 295.430 3.321 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(O)ccc2Cl)C[C@@H]1C ZINC000625213624 350141459 /nfs/dbraw/zinc/14/14/59/350141459.db2.gz MRKPPAHQVXMDNY-JSGCOSHPSA-N 2 1 296.842 3.350 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccccc2F)C1 ZINC000271346834 191086974 /nfs/dbraw/zinc/08/69/74/191086974.db2.gz XVIVQFWFPLDMHB-LSDHHAIUSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271346834 191086977 /nfs/dbraw/zinc/08/69/77/191086977.db2.gz XVIVQFWFPLDMHB-LSDHHAIUSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271346834 191086980 /nfs/dbraw/zinc/08/69/80/191086980.db2.gz XVIVQFWFPLDMHB-LSDHHAIUSA-N 2 1 276.399 3.099 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359737 191094730 /nfs/dbraw/zinc/09/47/30/191094730.db2.gz ZUHQDAWKPGLCFO-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359737 191094733 /nfs/dbraw/zinc/09/47/33/191094733.db2.gz ZUHQDAWKPGLCFO-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359737 191094736 /nfs/dbraw/zinc/09/47/36/191094736.db2.gz ZUHQDAWKPGLCFO-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP Cc1nc(C)c(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000628202600 350438782 /nfs/dbraw/zinc/43/87/82/350438782.db2.gz AEFIDPWITAKROS-OKILXGFUSA-N 2 1 293.455 3.139 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628204608 350439040 /nfs/dbraw/zinc/43/90/40/350439040.db2.gz FRWJAKDSQNWIPR-HZPDHXFCSA-N 2 1 260.425 3.030 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCCS2)C[C@@H]1C ZINC000628182641 350426068 /nfs/dbraw/zinc/42/60/68/350426068.db2.gz CJDFVHHMKCMYTK-KKUMJFAQSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]2(C)CCCS2)C[C@@H]1C ZINC000628182641 350426069 /nfs/dbraw/zinc/42/60/69/350426069.db2.gz CJDFVHHMKCMYTK-KKUMJFAQSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]2(C)CCCS2)C[C@@H]1C ZINC000628182641 350426071 /nfs/dbraw/zinc/42/60/71/350426071.db2.gz CJDFVHHMKCMYTK-KKUMJFAQSA-N 2 1 270.486 3.077 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190499 350432602 /nfs/dbraw/zinc/43/26/02/350432602.db2.gz IDVRXTBPZOMERR-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190499 350432606 /nfs/dbraw/zinc/43/26/06/350432606.db2.gz IDVRXTBPZOMERR-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190499 350432610 /nfs/dbraw/zinc/43/26/10/350432610.db2.gz IDVRXTBPZOMERR-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280854 350476385 /nfs/dbraw/zinc/47/63/85/350476385.db2.gz MIEQSVRIWDDHIA-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280854 350476389 /nfs/dbraw/zinc/47/63/89/350476389.db2.gz MIEQSVRIWDDHIA-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280854 350476391 /nfs/dbraw/zinc/47/63/91/350476391.db2.gz MIEQSVRIWDDHIA-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628287924 350479242 /nfs/dbraw/zinc/47/92/42/350479242.db2.gz SMUBBYRVMUCNJY-VXGBXAGGSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628287924 350479244 /nfs/dbraw/zinc/47/92/44/350479244.db2.gz SMUBBYRVMUCNJY-VXGBXAGGSA-N 2 1 262.388 3.130 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000628292794 350481501 /nfs/dbraw/zinc/48/15/01/350481501.db2.gz UVEGQTCVKMXFQA-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000628292794 350481504 /nfs/dbraw/zinc/48/15/04/350481504.db2.gz UVEGQTCVKMXFQA-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000628292794 350481507 /nfs/dbraw/zinc/48/15/07/350481507.db2.gz UVEGQTCVKMXFQA-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000628292793 350481565 /nfs/dbraw/zinc/48/15/65/350481565.db2.gz UVEGQTCVKMXFQA-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000628292793 350481568 /nfs/dbraw/zinc/48/15/68/350481568.db2.gz UVEGQTCVKMXFQA-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000628292793 350481571 /nfs/dbraw/zinc/48/15/71/350481571.db2.gz UVEGQTCVKMXFQA-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000629527106 350703057 /nfs/dbraw/zinc/70/30/57/350703057.db2.gz KDFASTCSQFBOKW-NXOAAHMSSA-N 2 1 272.436 3.299 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000629536940 350705704 /nfs/dbraw/zinc/70/57/04/350705704.db2.gz LAFSULXUKFGWHP-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000629536940 350705707 /nfs/dbraw/zinc/70/57/07/350705707.db2.gz LAFSULXUKFGWHP-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)[C@@H]1CCC[NH3+] ZINC000629544555 350709488 /nfs/dbraw/zinc/70/94/88/350709488.db2.gz FVCPWDCSAJXCOA-UKRRQHHQSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)C1(F)F ZINC000629554390 350712214 /nfs/dbraw/zinc/71/22/14/350712214.db2.gz ZUVDSFFCCAEFSR-BETUJISGSA-N 2 1 294.389 3.055 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565452 350713614 /nfs/dbraw/zinc/71/36/14/350713614.db2.gz VTJFSVCHZZQKJU-AAVRWANBSA-N 2 1 292.389 3.272 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629563499 350713901 /nfs/dbraw/zinc/71/39/01/350713901.db2.gz RAFYXFHCICIJAN-OLZOCXBDSA-N 2 1 278.362 3.026 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000629390032 350687599 /nfs/dbraw/zinc/68/75/99/350687599.db2.gz HBPLAQNJHJQDJD-BHYGNILZSA-N 2 1 260.425 3.046 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629390071 350687775 /nfs/dbraw/zinc/68/77/75/350687775.db2.gz INZIAELTFOYKHZ-IXDOHACOSA-N 2 1 260.425 3.046 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000629418324 350690930 /nfs/dbraw/zinc/69/09/30/350690930.db2.gz WHMZWZFRQHAXGJ-BGTYHANMSA-N 2 1 272.436 3.128 20 0 CGADMP Cc1scc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000631157679 350972725 /nfs/dbraw/zinc/97/27/25/350972725.db2.gz FCLONORHPXGWAO-AWEZNQCLSA-N 2 1 266.454 3.186 20 0 CGADMP c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000631576151 351073315 /nfs/dbraw/zinc/07/33/15/351073315.db2.gz GLSWSQFANQRCOK-SFHVURJKSA-N 2 1 285.435 3.066 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631585333 351078731 /nfs/dbraw/zinc/07/87/31/351078731.db2.gz PEBJYGWVTIJGON-CRAIPNDOSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631585333 351078734 /nfs/dbraw/zinc/07/87/34/351078734.db2.gz PEBJYGWVTIJGON-CRAIPNDOSA-N 2 1 287.451 3.313 20 0 CGADMP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732221 351577221 /nfs/dbraw/zinc/57/72/21/351577221.db2.gz AYMGZHUZFUCFAU-AWEZNQCLSA-N 2 1 264.388 3.002 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)[C@H]3CCCC[C@H]23)cc1 ZINC000634995119 351619772 /nfs/dbraw/zinc/61/97/72/351619772.db2.gz VQOWAJMXKVFJLV-FLBZEUKHSA-N 2 1 296.458 3.397 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCCC34CC4)CC[NH2+]2)cc1 ZINC000634998228 351620574 /nfs/dbraw/zinc/62/05/74/351620574.db2.gz CISXYNOKPTVNGE-ULQDDVLXSA-N 2 1 270.420 3.402 20 0 CGADMP Cc1cc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc2cccnc12 ZINC000634997485 351621247 /nfs/dbraw/zinc/62/12/47/351621247.db2.gz MDFHYSWEYGBLQU-QGZVFWFLSA-N 2 1 283.419 3.247 20 0 CGADMP Cc1cc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc2cccnc12 ZINC000634997485 351621252 /nfs/dbraw/zinc/62/12/52/351621252.db2.gz MDFHYSWEYGBLQU-QGZVFWFLSA-N 2 1 283.419 3.247 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000635010965 351629342 /nfs/dbraw/zinc/62/93/42/351629342.db2.gz LOPDMEFRKPMYAI-STQMWFEESA-N 2 1 264.413 3.271 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2Cl)CC[N@@H+]1C ZINC000123164750 187074815 /nfs/dbraw/zinc/07/48/15/187074815.db2.gz ZMUDPGPDGVUKJX-UONOGXRCSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2Cl)CC[N@H+]1C ZINC000123164750 187074816 /nfs/dbraw/zinc/07/48/16/187074816.db2.gz ZMUDPGPDGVUKJX-UONOGXRCSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccccc2Cl)CC[NH+]1C ZINC000123164750 187074817 /nfs/dbraw/zinc/07/48/17/187074817.db2.gz ZMUDPGPDGVUKJX-UONOGXRCSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccccc2Cl)CC[NH+]1C ZINC000123164750 187074818 /nfs/dbraw/zinc/07/48/18/187074818.db2.gz ZMUDPGPDGVUKJX-UONOGXRCSA-N 2 1 296.842 3.133 20 0 CGADMP C[N@H+](Cc1ccc2ncccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000122772674 187050268 /nfs/dbraw/zinc/05/02/68/187050268.db2.gz BVOFONIADPKLAY-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccc2ncccc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000122772674 187050269 /nfs/dbraw/zinc/05/02/69/187050269.db2.gz BVOFONIADPKLAY-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccc2ncccc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000122772674 187050270 /nfs/dbraw/zinc/05/02/70/187050270.db2.gz BVOFONIADPKLAY-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000122941416 187060927 /nfs/dbraw/zinc/06/09/27/187060927.db2.gz IFOAXUCXAQFKGN-VNQPRFMTSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000122941416 187060928 /nfs/dbraw/zinc/06/09/28/187060928.db2.gz IFOAXUCXAQFKGN-VNQPRFMTSA-N 2 1 260.425 3.437 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000123194590 187077175 /nfs/dbraw/zinc/07/71/75/187077175.db2.gz BHSZRSWASLVNEA-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3cccnc32)CC[N@H+]1C ZINC000123194590 187077176 /nfs/dbraw/zinc/07/71/76/187077176.db2.gz BHSZRSWASLVNEA-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3cccnc32)CC[NH+]1C ZINC000123194590 187077177 /nfs/dbraw/zinc/07/71/77/187077177.db2.gz BHSZRSWASLVNEA-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3cccnc32)CC[NH+]1C ZINC000123194590 187077178 /nfs/dbraw/zinc/07/71/78/187077178.db2.gz BHSZRSWASLVNEA-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000271491552 191170851 /nfs/dbraw/zinc/17/08/51/191170851.db2.gz UNRCZOOHANZIBO-HLLBOEOZSA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000271491552 191170853 /nfs/dbraw/zinc/17/08/53/191170853.db2.gz UNRCZOOHANZIBO-HLLBOEOZSA-N 2 1 289.467 3.409 20 0 CGADMP CC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152169898 188000645 /nfs/dbraw/zinc/00/06/45/188000645.db2.gz GNVHTGJWRUEIJJ-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP COC[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000155427386 188205262 /nfs/dbraw/zinc/20/52/62/188205262.db2.gz PXZKHOROEKQSBI-UONOGXRCSA-N 2 1 287.407 3.114 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](C/C=C/c3ccccc3)CC[C@@H]21 ZINC000158518128 188380016 /nfs/dbraw/zinc/38/00/16/188380016.db2.gz VMUBTOHLMAHBON-CGNNYBMUSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]21 ZINC000158518128 188380017 /nfs/dbraw/zinc/38/00/17/188380017.db2.gz VMUBTOHLMAHBON-CGNNYBMUSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]21 ZINC000158518128 188380019 /nfs/dbraw/zinc/38/00/19/188380019.db2.gz VMUBTOHLMAHBON-CGNNYBMUSA-N 2 1 270.420 3.116 20 0 CGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000182255739 282994744 /nfs/dbraw/zinc/99/47/44/282994744.db2.gz ARRKAHSKCODBFX-SFHVURJKSA-N 2 1 288.410 3.420 20 0 CGADMP Fc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420325650 283028727 /nfs/dbraw/zinc/02/87/27/283028727.db2.gz WKSUGBKQKNSOHL-AWEZNQCLSA-N 2 1 276.399 3.180 20 0 CGADMP CCCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271800202 191335747 /nfs/dbraw/zinc/33/57/47/191335747.db2.gz IVKJCVCKWBHWAW-UHFFFAOYSA-N 2 1 288.435 3.217 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414191310 235358961 /nfs/dbraw/zinc/35/89/61/235358961.db2.gz RUZXDDKCJZZFFD-AEFFLSMTSA-N 2 1 289.467 3.114 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414170508 235352738 /nfs/dbraw/zinc/35/27/38/235352738.db2.gz CHMNHSXAFCOWAG-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172671 235353576 /nfs/dbraw/zinc/35/35/76/235353576.db2.gz DZRZSDQSKHJTEI-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000424355767 283140688 /nfs/dbraw/zinc/14/06/88/283140688.db2.gz RKASPNXAULEVNS-FLXSYLCISA-N 2 1 276.468 3.418 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420324411 235741208 /nfs/dbraw/zinc/74/12/08/235741208.db2.gz VGTOKMQOGURUGH-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1Cl ZINC000124697137 138376833 /nfs/dbraw/zinc/37/68/33/138376833.db2.gz AFBCOHRNRDZLOU-STQMWFEESA-N 2 1 266.816 3.475 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1Cl ZINC000124697137 138376835 /nfs/dbraw/zinc/37/68/35/138376835.db2.gz AFBCOHRNRDZLOU-STQMWFEESA-N 2 1 266.816 3.475 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)C1CC1 ZINC000128228634 138392359 /nfs/dbraw/zinc/39/23/59/138392359.db2.gz OFNCLPFSLYYNKY-INIZCTEOSA-N 2 1 273.424 3.137 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)c2ccccc21 ZINC000423273791 236017595 /nfs/dbraw/zinc/01/75/95/236017595.db2.gz JJVWNKZRCXPLRO-GTNSWQLSSA-N 2 1 272.367 3.367 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423328488 236039669 /nfs/dbraw/zinc/03/96/69/236039669.db2.gz OFGCOSMEQXMGHC-CABCVRRESA-N 2 1 268.404 3.144 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2ccccc2c1 ZINC000423328031 236040473 /nfs/dbraw/zinc/04/04/73/236040473.db2.gz RUPBVSKVWMPIQY-YVEFUNNKSA-N 2 1 254.377 3.228 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423306058 236032471 /nfs/dbraw/zinc/03/24/71/236032471.db2.gz LCRMEYWXGHCVFM-FZKQIMNGSA-N 2 1 295.386 3.102 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000261595958 283280277 /nfs/dbraw/zinc/28/02/77/283280277.db2.gz JLMNWUGQNMAHIO-APWZRJJASA-N 2 1 286.463 3.256 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423387993 236060213 /nfs/dbraw/zinc/06/02/13/236060213.db2.gz MKENIXFKBNFTRW-WBVHZDCISA-N 2 1 289.467 3.161 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+]CC[C@H]3CCC[NH2+]3)oc21 ZINC000423353207 236048220 /nfs/dbraw/zinc/04/82/20/236048220.db2.gz BFPJCAOHCGGZOG-GXTWGEPZSA-N 2 1 288.391 3.234 20 0 CGADMP Cc1cc(OCCC[C@@H](C)[NH2+][C@@H](C)C[NH3+])ccc1Cl ZINC000423361664 236050679 /nfs/dbraw/zinc/05/06/79/236050679.db2.gz ALHWWEIWDVZFHK-OLZOCXBDSA-N 2 1 284.831 3.133 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000423370739 236052700 /nfs/dbraw/zinc/05/27/00/236052700.db2.gz PYBUGYLPTJHNQD-RYUDHWBXSA-N 2 1 260.406 3.413 20 0 CGADMP COC[C@@]1(C[NH2+][C@H](CC(C)C)c2ccccc2)CCC[NH2+]1 ZINC000423410770 236067114 /nfs/dbraw/zinc/06/71/14/236067114.db2.gz AJVSBUQQAFFPPC-MSOLQXFVSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423432378 236070443 /nfs/dbraw/zinc/07/04/43/236070443.db2.gz BIJIBWPBZUSYOE-CIUDSAMLSA-N 2 1 261.196 3.380 20 0 CGADMP COc1cccc(C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c2ccccc2)c1 ZINC000423440928 236071712 /nfs/dbraw/zinc/07/17/12/236071712.db2.gz ISNLNBIALRFUGC-DOXZYTNZSA-N 2 1 298.430 3.304 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000424362832 236156844 /nfs/dbraw/zinc/15/68/44/236156844.db2.gz BAWZLZVBFONNGR-SJLPKXTDSA-N 2 1 281.403 3.108 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000424367339 236157189 /nfs/dbraw/zinc/15/71/89/236157189.db2.gz LMCWTWLQEKRNHZ-NXEZZACHSA-N 2 1 278.343 3.126 20 0 CGADMP COCC(C)(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000426416601 236293589 /nfs/dbraw/zinc/29/35/89/236293589.db2.gz KHGKPXSYSCTISH-KRWDZBQOSA-N 2 1 296.499 3.247 20 0 CGADMP CCCc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000481910043 535430171 /nfs/dbraw/zinc/43/01/71/535430171.db2.gz QBLBRDXMAYLVMM-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000481910043 535430173 /nfs/dbraw/zinc/43/01/73/535430173.db2.gz QBLBRDXMAYLVMM-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000481910043 535430178 /nfs/dbraw/zinc/43/01/78/535430178.db2.gz QBLBRDXMAYLVMM-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CCCCC1 ZINC000423174660 283407023 /nfs/dbraw/zinc/40/70/23/283407023.db2.gz BRHPNYNPUXOXLH-OAHLLOKOSA-N 2 1 262.372 3.064 20 0 CGADMP C=Cc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297492834 200209240 /nfs/dbraw/zinc/20/92/40/200209240.db2.gz UDKJCLPGTYRIIQ-UHFFFAOYSA-N 2 1 270.420 3.089 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000177299097 189042807 /nfs/dbraw/zinc/04/28/07/189042807.db2.gz ZVTDWFUGOIXPFA-HOTGVXAUSA-N 2 1 290.451 3.466 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000178698461 189138121 /nfs/dbraw/zinc/13/81/21/189138121.db2.gz BLKCSEAGITUSPR-NEPJUHHUSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000178698126 189138125 /nfs/dbraw/zinc/13/81/25/189138125.db2.gz ASSTXRDXSIZFIR-CXAGYDPISA-N 2 1 269.392 3.105 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(COC)c2)CC1 ZINC000179227195 189179135 /nfs/dbraw/zinc/17/91/35/189179135.db2.gz WAJLUEIPESLJCM-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC3(C)C)sc2C1 ZINC000342228699 216268820 /nfs/dbraw/zinc/26/88/20/216268820.db2.gz ZDSXRJJHGFKUJB-CQSZACIVSA-N 2 1 293.480 3.188 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC3(C)C)sc2C1 ZINC000342228699 216268823 /nfs/dbraw/zinc/26/88/23/216268823.db2.gz ZDSXRJJHGFKUJB-CQSZACIVSA-N 2 1 293.480 3.188 20 0 CGADMP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000414803573 296030251 /nfs/dbraw/zinc/03/02/51/296030251.db2.gz DCLWCQUVHCFGAQ-CQSZACIVSA-N 3 1 289.467 3.059 20 0 CGADMP Cc1cc[nH+]c(NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000301654594 201118191 /nfs/dbraw/zinc/11/81/91/201118191.db2.gz URYXNCBOTGWLIY-HNNXBMFYSA-N 2 1 261.413 3.314 20 0 CGADMP Cc1cc[nH+]c(NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000301654594 201118195 /nfs/dbraw/zinc/11/81/95/201118195.db2.gz URYXNCBOTGWLIY-HNNXBMFYSA-N 2 1 261.413 3.314 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000183260249 189352989 /nfs/dbraw/zinc/35/29/89/189352989.db2.gz BUPBCDQNZPDQHX-HNNXBMFYSA-N 2 1 292.442 3.420 20 0 CGADMP CCc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)nc(C)[nH+]1 ZINC000302030835 201307849 /nfs/dbraw/zinc/30/78/49/201307849.db2.gz BWZMBUBLSOWEBI-AWEZNQCLSA-N 2 1 290.455 3.414 20 0 CGADMP CCc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)nc(C)[nH+]1 ZINC000302030835 201307850 /nfs/dbraw/zinc/30/78/50/201307850.db2.gz BWZMBUBLSOWEBI-AWEZNQCLSA-N 2 1 290.455 3.414 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000342546340 216392858 /nfs/dbraw/zinc/39/28/58/216392858.db2.gz NPRSBQFVMIQAQI-UHFFFAOYSA-N 2 1 261.413 3.235 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000342546340 216392863 /nfs/dbraw/zinc/39/28/63/216392863.db2.gz NPRSBQFVMIQAQI-UHFFFAOYSA-N 2 1 261.413 3.235 20 0 CGADMP CCc1cc(NCC[N@H+](C)C2CCCCC2)nc(C)[nH+]1 ZINC000302067754 201328599 /nfs/dbraw/zinc/32/85/99/201328599.db2.gz WWDFWKKTNJHRLE-UHFFFAOYSA-N 2 1 276.428 3.024 20 0 CGADMP CCc1cc(NCC[N@@H+](C)C2CCCCC2)nc(C)[nH+]1 ZINC000302067754 201328601 /nfs/dbraw/zinc/32/86/01/201328601.db2.gz WWDFWKKTNJHRLE-UHFFFAOYSA-N 2 1 276.428 3.024 20 0 CGADMP CCc1cc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000302032874 201311135 /nfs/dbraw/zinc/31/11/35/201311135.db2.gz CYFDKBMZJUXJII-KRWDZBQOSA-N 2 1 298.434 3.371 20 0 CGADMP c1c2cccnc2oc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000449181908 239230506 /nfs/dbraw/zinc/23/05/06/239230506.db2.gz JAVKUKHXWCIZQX-UHFFFAOYSA-N 2 1 299.418 3.324 20 0 CGADMP CCc1ccc2[nH+]ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000450829753 240104210 /nfs/dbraw/zinc/10/42/10/240104210.db2.gz QOYKVCHRIMFUIF-MQVJKMGUSA-N 2 1 295.430 3.256 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275356201 193009691 /nfs/dbraw/zinc/00/96/91/193009691.db2.gz AMAVTJIDWOVFQY-GJZGRUSLSA-N 2 1 261.413 3.170 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000120826477 370804824 /nfs/dbraw/zinc/80/48/24/370804824.db2.gz MQKDZMNFJGAGGC-UHFFFAOYSA-N 2 1 289.345 3.246 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)[C@@H](C)c1ccccc1 ZINC000275462886 193047550 /nfs/dbraw/zinc/04/75/50/193047550.db2.gz HDAUXIQOFZPKFB-OWCLPIDISA-N 2 1 283.419 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC000120977484 370818905 /nfs/dbraw/zinc/81/89/05/370818905.db2.gz QATWSJOBJKRUEV-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(F)cc1Cl ZINC000121101227 370829613 /nfs/dbraw/zinc/82/96/13/370829613.db2.gz IRVGYWMVHNKESA-AWEZNQCLSA-N 2 1 284.806 3.395 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000121445408 370860856 /nfs/dbraw/zinc/86/08/56/370860856.db2.gz LMHIZEJYWFKEBE-RYUDHWBXSA-N 2 1 292.814 3.227 20 0 CGADMP C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OCC1CCCC1 ZINC000459345243 242081856 /nfs/dbraw/zinc/08/18/56/242081856.db2.gz SBAHRHYMGTZLLN-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OCC1CCCC1 ZINC000459345243 242081861 /nfs/dbraw/zinc/08/18/61/242081861.db2.gz SBAHRHYMGTZLLN-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCc2cccc(Cl)c2)C1 ZINC000459798792 242239864 /nfs/dbraw/zinc/23/98/64/242239864.db2.gz XXSSNDQHZPLQGB-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000459767150 242220752 /nfs/dbraw/zinc/22/07/52/242220752.db2.gz PNHXEKVOAZKJQW-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000459767150 242220755 /nfs/dbraw/zinc/22/07/55/242220755.db2.gz PNHXEKVOAZKJQW-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000459767150 242220757 /nfs/dbraw/zinc/22/07/57/242220757.db2.gz PNHXEKVOAZKJQW-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459793163 242237762 /nfs/dbraw/zinc/23/77/62/242237762.db2.gz SYNXKEILHVOYDV-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000462821029 242367057 /nfs/dbraw/zinc/36/70/57/242367057.db2.gz ZNJGUMCYEVSMKE-QRVBRYPASA-N 2 1 284.447 3.335 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000479677726 243119550 /nfs/dbraw/zinc/11/95/50/243119550.db2.gz POWPPBJYTRTIFV-IBGZPJMESA-N 2 1 286.463 3.392 20 0 CGADMP C(CCC1CCCC1)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484893507 243323042 /nfs/dbraw/zinc/32/30/42/243323042.db2.gz MNJUYYHOLYMDPI-RCCFBDPRSA-N 2 1 294.483 3.094 20 0 CGADMP Cc1ccc2c(C)cc(NCC3CC[NH+](C)CC3)[nH+]c2c1 ZINC000485862715 243346331 /nfs/dbraw/zinc/34/63/31/243346331.db2.gz VLBXAWQMGBFGLM-UHFFFAOYSA-N 2 1 283.419 3.027 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C/C=C/c1ccncc1 ZINC000486937080 243382060 /nfs/dbraw/zinc/38/20/60/243382060.db2.gz GRYZYSUMGXKVAE-JKNJVXJCSA-N 2 1 287.451 3.339 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000019942982 368787558 /nfs/dbraw/zinc/78/75/58/368787558.db2.gz OSJAZRZPBJARKE-AWEZNQCLSA-N 2 1 264.413 3.078 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000036908064 369036550 /nfs/dbraw/zinc/03/65/50/369036550.db2.gz SGZXQPCDUADTLV-WWGRRREGSA-N 2 1 280.843 3.201 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000037141031 369067898 /nfs/dbraw/zinc/06/78/98/369067898.db2.gz BDXSDSAALRXVCA-QGZVFWFLSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000037649248 369098005 /nfs/dbraw/zinc/09/80/05/369098005.db2.gz AJZAJRZMFUTYER-CHWSQXEVSA-N 2 1 278.827 3.475 20 0 CGADMP CCC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000037905048 369123884 /nfs/dbraw/zinc/12/38/84/369123884.db2.gz GQCXJGLZPGWCEP-QLQQRZLESA-N 2 1 264.457 3.418 20 0 CGADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000494057566 244259851 /nfs/dbraw/zinc/25/98/51/244259851.db2.gz DACDQVYSVIGNDC-QGZVFWFLSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000050569222 369441633 /nfs/dbraw/zinc/44/16/33/369441633.db2.gz JEBSUTAUJHLUOU-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000127546652 370953138 /nfs/dbraw/zinc/95/31/38/370953138.db2.gz LZSZPRLDWUEYKF-LBPRGKRZSA-N 2 1 284.856 3.463 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000052921793 369474947 /nfs/dbraw/zinc/47/49/47/369474947.db2.gz KSMKDKFRGNANFZ-SJPCQFCGSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)C1CCCC1)[NH+]1CCCC1 ZINC000054077894 369492436 /nfs/dbraw/zinc/49/24/36/369492436.db2.gz GWYQTEUBDIUKLR-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+](C)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000054128095 369496088 /nfs/dbraw/zinc/49/60/88/369496088.db2.gz NHPWRBXCQXYBTJ-UHFFFAOYSA-N 2 1 263.772 3.252 20 0 CGADMP CC[N@@H+](C)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000054128095 369496093 /nfs/dbraw/zinc/49/60/93/369496093.db2.gz NHPWRBXCQXYBTJ-UHFFFAOYSA-N 2 1 263.772 3.252 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000059639322 369581605 /nfs/dbraw/zinc/58/16/05/369581605.db2.gz BREDYTBSVHKDEX-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000067452902 369718259 /nfs/dbraw/zinc/71/82/59/369718259.db2.gz OFPWCTROADHBLD-OKILXGFUSA-N 2 1 296.480 3.036 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000183192323 296148906 /nfs/dbraw/zinc/14/89/06/296148906.db2.gz FNSYEBUIJBWHRT-VNHYZAJKSA-N 2 1 250.430 3.028 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000069720643 369768340 /nfs/dbraw/zinc/76/83/40/369768340.db2.gz LRFACBCKWVBMIJ-SNVBAGLBSA-N 2 1 258.818 3.105 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000069720643 369768342 /nfs/dbraw/zinc/76/83/42/369768342.db2.gz LRFACBCKWVBMIJ-SNVBAGLBSA-N 2 1 258.818 3.105 20 0 CGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000067668265 369724093 /nfs/dbraw/zinc/72/40/93/369724093.db2.gz FPKSTEVXEGTOAS-HNNXBMFYSA-N 2 1 298.434 3.074 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000067668265 369724096 /nfs/dbraw/zinc/72/40/96/369724096.db2.gz FPKSTEVXEGTOAS-HNNXBMFYSA-N 2 1 298.434 3.074 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000072858245 369840969 /nfs/dbraw/zinc/84/09/69/369840969.db2.gz UAGCTYPOPZRZRY-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000072858245 369840975 /nfs/dbraw/zinc/84/09/75/369840975.db2.gz UAGCTYPOPZRZRY-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000072858245 369840980 /nfs/dbraw/zinc/84/09/80/369840980.db2.gz UAGCTYPOPZRZRY-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000072858245 369840986 /nfs/dbraw/zinc/84/09/86/369840986.db2.gz UAGCTYPOPZRZRY-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sccc2C)C1 ZINC000070091545 369779264 /nfs/dbraw/zinc/77/92/64/369779264.db2.gz KDDOJSWUNNMYKW-STQMWFEESA-N 2 1 252.427 3.049 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000070148418 369782454 /nfs/dbraw/zinc/78/24/54/369782454.db2.gz VBNFHAHVISYSPF-AWEZNQCLSA-N 2 1 252.789 3.043 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000070148418 369782459 /nfs/dbraw/zinc/78/24/59/369782459.db2.gz VBNFHAHVISYSPF-AWEZNQCLSA-N 2 1 252.789 3.043 20 0 CGADMP c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446092 369938378 /nfs/dbraw/zinc/93/83/78/369938378.db2.gz VSWUZBFAOLGANN-IBGZPJMESA-N 2 1 280.415 3.298 20 0 CGADMP C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043398 370089474 /nfs/dbraw/zinc/08/94/74/370089474.db2.gz SQFULSYJYUOQIO-HDEZJCGLSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043398 370089476 /nfs/dbraw/zinc/08/94/76/370089476.db2.gz SQFULSYJYUOQIO-HDEZJCGLSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000092043398 370089482 /nfs/dbraw/zinc/08/94/82/370089482.db2.gz SQFULSYJYUOQIO-HDEZJCGLSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000092043398 370089486 /nfs/dbraw/zinc/08/94/86/370089486.db2.gz SQFULSYJYUOQIO-HDEZJCGLSA-N 2 1 288.435 3.319 20 0 CGADMP C[N@H+](Cc1cc(Cl)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093096135 370110158 /nfs/dbraw/zinc/11/01/58/370110158.db2.gz GNKUYPUVOAGEGH-FOSCPWQOSA-N 2 1 270.829 3.116 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093096135 370110162 /nfs/dbraw/zinc/11/01/62/370110162.db2.gz GNKUYPUVOAGEGH-FOSCPWQOSA-N 2 1 270.829 3.116 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2sccc2C)C1 ZINC000093742151 370156166 /nfs/dbraw/zinc/15/61/66/370156166.db2.gz MKXDWQCNBXRYKF-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2sccc2C)C1 ZINC000093742151 370156170 /nfs/dbraw/zinc/15/61/70/370156170.db2.gz MKXDWQCNBXRYKF-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000093742151 370156177 /nfs/dbraw/zinc/15/61/77/370156177.db2.gz MKXDWQCNBXRYKF-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000104095567 370336780 /nfs/dbraw/zinc/33/67/80/370336780.db2.gz VARPDFNZZUKAGF-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000104095567 370336786 /nfs/dbraw/zinc/33/67/86/370336786.db2.gz VARPDFNZZUKAGF-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104095567 370336792 /nfs/dbraw/zinc/33/67/92/370336792.db2.gz VARPDFNZZUKAGF-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130559967 371042617 /nfs/dbraw/zinc/04/26/17/371042617.db2.gz KJSXBCAFCRXKFJ-BFYDXBDKSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130559967 371042620 /nfs/dbraw/zinc/04/26/20/371042620.db2.gz KJSXBCAFCRXKFJ-BFYDXBDKSA-N 2 1 260.425 3.437 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000132106524 371152295 /nfs/dbraw/zinc/15/22/95/371152295.db2.gz ZJVYMBGXBPSCRK-NSHDSACASA-N 2 1 283.485 3.252 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000132550584 371183216 /nfs/dbraw/zinc/18/32/16/371183216.db2.gz YBJFFHDGCPRIIO-JZXOWHBKSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000132550584 371183219 /nfs/dbraw/zinc/18/32/19/371183219.db2.gz YBJFFHDGCPRIIO-JZXOWHBKSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132550584 371183223 /nfs/dbraw/zinc/18/32/23/371183223.db2.gz YBJFFHDGCPRIIO-JZXOWHBKSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132550584 371183226 /nfs/dbraw/zinc/18/32/26/371183226.db2.gz YBJFFHDGCPRIIO-JZXOWHBKSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000133033645 371222290 /nfs/dbraw/zinc/22/22/90/371222290.db2.gz ZLBISEQAWUCSBN-HOCLYGCPSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000133033645 371222295 /nfs/dbraw/zinc/22/22/95/371222295.db2.gz ZLBISEQAWUCSBN-HOCLYGCPSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000133033645 371222299 /nfs/dbraw/zinc/22/22/99/371222299.db2.gz ZLBISEQAWUCSBN-HOCLYGCPSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000133639529 371269214 /nfs/dbraw/zinc/26/92/14/371269214.db2.gz OKDNIKYVSFDDCV-TYNCELHUSA-N 2 1 298.377 3.106 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000134119400 371304773 /nfs/dbraw/zinc/30/47/73/371304773.db2.gz FXAPABGIHSGZCX-ZACQAIPSSA-N 2 1 264.457 3.300 20 0 CGADMP c1ccc2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000150759954 371535299 /nfs/dbraw/zinc/53/52/99/371535299.db2.gz RJSAFPOAMBIPFO-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP c1ccc2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000150759954 371535308 /nfs/dbraw/zinc/53/53/08/371535308.db2.gz RJSAFPOAMBIPFO-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805261 371636418 /nfs/dbraw/zinc/63/64/18/371636418.db2.gz FXNSRCKHSSOOGK-AXAPSJFSSA-N 2 1 282.378 3.488 20 0 CGADMP C[C@H](C[NH+]1CCC2(CC[NH2+]2)CC1)c1cccc(Cl)c1 ZINC000422559614 371750114 /nfs/dbraw/zinc/75/01/14/371750114.db2.gz DLLBSRCGUQMXPD-CYBMUJFWSA-N 2 1 278.827 3.271 20 0 CGADMP [NH3+]CC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000422636330 371754378 /nfs/dbraw/zinc/75/43/78/371754378.db2.gz MXDRMMQNJZISDK-UHFFFAOYSA-N 2 1 297.240 3.157 20 0 CGADMP C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000422762779 371792096 /nfs/dbraw/zinc/79/20/96/371792096.db2.gz MTQYHFQBFISCCF-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289570486 371762736 /nfs/dbraw/zinc/76/27/36/371762736.db2.gz DGODOOOSDMAZGS-KBPBESRZSA-N 2 1 271.408 3.226 20 0 CGADMP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000422713610 371764324 /nfs/dbraw/zinc/76/43/24/371764324.db2.gz PUVJBJWEDWCSKH-YUTCNCBUSA-N 2 1 286.341 3.268 20 0 CGADMP CCC1CCC(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422719080 371768326 /nfs/dbraw/zinc/76/83/26/371768326.db2.gz QRTPPMUGLQKTMY-HSBZDZAISA-N 2 1 261.413 3.361 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccccc2)cc1 ZINC000422727479 371769476 /nfs/dbraw/zinc/76/94/76/371769476.db2.gz CPEJRTMUXZTYPH-KXBFYZLASA-N 2 1 280.415 3.282 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000422748855 371782968 /nfs/dbraw/zinc/78/29/68/371782968.db2.gz WNOKJDWNIUBNTK-ZIAGYGMSSA-N 2 1 252.789 3.090 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCNc2ccccc2)c2ccccc21 ZINC000422757433 371786262 /nfs/dbraw/zinc/78/62/62/371786262.db2.gz MUABPIBQPRKMPJ-MSOLQXFVSA-N 2 1 281.403 3.223 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCNc2ccccc2)c2ccccc21 ZINC000422757435 371787360 /nfs/dbraw/zinc/78/73/60/371787360.db2.gz MUABPIBQPRKMPJ-ROUUACIJSA-N 2 1 281.403 3.223 20 0 CGADMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422822605 371829545 /nfs/dbraw/zinc/82/95/45/371829545.db2.gz KFQXYNYNCUUUSX-UONOGXRCSA-N 2 1 297.240 3.035 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000337372449 214037319 /nfs/dbraw/zinc/03/73/19/214037319.db2.gz DHHLXLDWUATXAR-YOEHRIQHSA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000337372449 214037320 /nfs/dbraw/zinc/03/73/20/214037320.db2.gz DHHLXLDWUATXAR-YOEHRIQHSA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337372449 214037322 /nfs/dbraw/zinc/03/73/22/214037322.db2.gz DHHLXLDWUATXAR-YOEHRIQHSA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337372449 214037324 /nfs/dbraw/zinc/03/73/24/214037324.db2.gz DHHLXLDWUATXAR-YOEHRIQHSA-N 2 1 290.451 3.172 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1F ZINC000422794020 371813811 /nfs/dbraw/zinc/81/38/11/371813811.db2.gz GDFAYDMPOFPRIN-KSSFIOAISA-N 2 1 286.394 3.182 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1c[nH+]ccc1N ZINC000422841542 371837221 /nfs/dbraw/zinc/83/72/21/371837221.db2.gz WJASXTLRZJHCJO-SJKOYZFVSA-N 2 1 299.443 3.175 20 0 CGADMP CC[C@@H]([NH2+]CCc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422956975 371891397 /nfs/dbraw/zinc/89/13/97/371891397.db2.gz RTPFBRFTOXLGEV-CABCVRRESA-N 2 1 284.806 3.142 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422989954 371903648 /nfs/dbraw/zinc/90/36/48/371903648.db2.gz MRBHNPPRAMTZCQ-QAPCUYQASA-N 2 1 290.451 3.138 20 0 CGADMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCCCC1 ZINC000423032078 371925080 /nfs/dbraw/zinc/92/50/80/371925080.db2.gz VOBOEFQBTGYNGA-BBWFWOEESA-N 2 1 294.483 3.094 20 0 CGADMP COCC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccco1 ZINC000423046625 371931437 /nfs/dbraw/zinc/93/14/37/371931437.db2.gz UFLVGVHBSZSBLY-PMPSAXMXSA-N 2 1 294.439 3.258 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423046844 371932158 /nfs/dbraw/zinc/93/21/58/371932158.db2.gz FFUKNCVGDYRAKR-YCPHGPKFSA-N 2 1 278.465 3.206 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316525 371961777 /nfs/dbraw/zinc/96/17/77/371961777.db2.gz CPMYGDXIZSTRJQ-SSDWJNDTSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316525 371961779 /nfs/dbraw/zinc/96/17/79/371961779.db2.gz CPMYGDXIZSTRJQ-SSDWJNDTSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316525 371961782 /nfs/dbraw/zinc/96/17/82/371961782.db2.gz CPMYGDXIZSTRJQ-SSDWJNDTSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316525 371961787 /nfs/dbraw/zinc/96/17/87/371961787.db2.gz CPMYGDXIZSTRJQ-SSDWJNDTSA-N 2 1 294.389 3.250 20 0 CGADMP CSc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423101918 371964833 /nfs/dbraw/zinc/96/48/33/371964833.db2.gz WMKUMTJASNOFDH-CJNGLKHVSA-N 2 1 278.465 3.071 20 0 CGADMP COc1ccccc1/C=C/C[N@@H+](C)CCCn1ccnc1C ZINC000290335392 371965681 /nfs/dbraw/zinc/96/56/81/371965681.db2.gz DYURDKVKPQIJKB-RMKNXTFCSA-N 2 1 299.418 3.235 20 0 CGADMP COc1ccccc1/C=C/C[N@H+](C)CCCn1cc[nH+]c1C ZINC000290335392 371965685 /nfs/dbraw/zinc/96/56/85/371965685.db2.gz DYURDKVKPQIJKB-RMKNXTFCSA-N 2 1 299.418 3.235 20 0 CGADMP COc1ccccc1/C=C/C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000290335392 371965691 /nfs/dbraw/zinc/96/56/91/371965691.db2.gz DYURDKVKPQIJKB-RMKNXTFCSA-N 2 1 299.418 3.235 20 0 CGADMP CSc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423111494 371972542 /nfs/dbraw/zinc/97/25/42/371972542.db2.gz WCCFFNZUCKBZBQ-BXUZGUMPSA-N 2 1 282.428 3.025 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cs1 ZINC000156978122 372001925 /nfs/dbraw/zinc/00/19/25/372001925.db2.gz NPEBBMRTQVGIOV-UMVBOHGHSA-N 2 1 295.496 3.127 20 0 CGADMP FC1(F)CC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423127807 371981014 /nfs/dbraw/zinc/98/10/14/371981014.db2.gz KDRBTZWYKUIPEI-LSDHHAIUSA-N 2 1 280.362 3.115 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1c[nH+]ccc1N ZINC000423142909 371989256 /nfs/dbraw/zinc/98/92/56/371989256.db2.gz BPSVZZHCGCSSFF-NEPJUHHUSA-N 2 1 285.416 3.034 20 0 CGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423150863 371992825 /nfs/dbraw/zinc/99/28/25/371992825.db2.gz ZKDRIRPKPIDIPR-YVEFUNNKSA-N 2 1 276.399 3.181 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423086761 371954099 /nfs/dbraw/zinc/95/40/99/371954099.db2.gz NYSUEPLUIWZKGQ-VXGBXAGGSA-N 2 1 276.355 3.301 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423190844 372017047 /nfs/dbraw/zinc/01/70/47/372017047.db2.gz RQTODHCPAPHOSN-INIZCTEOSA-N 2 1 283.419 3.221 20 0 CGADMP CC(C)[C@H]([NH2+]CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423194695 372018989 /nfs/dbraw/zinc/01/89/89/372018989.db2.gz YGBUAJVHUFLJJF-LBPRGKRZSA-N 2 1 261.196 3.239 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CC1([NH3+])CCCCCC1)CCC2 ZINC000423198775 372023343 /nfs/dbraw/zinc/02/33/43/372023343.db2.gz HVMUAPBNFJEMNY-ZDUSSCGKSA-N 2 1 293.480 3.470 20 0 CGADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423204465 372028546 /nfs/dbraw/zinc/02/85/46/372028546.db2.gz AWJSQZQNLTXOKS-UONOGXRCSA-N 2 1 285.435 3.176 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423207005 372030970 /nfs/dbraw/zinc/03/09/70/372030970.db2.gz XNUOQQFQRVOBKP-VIFPVBQESA-N 2 1 261.196 3.254 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000290656484 372035251 /nfs/dbraw/zinc/03/52/51/372035251.db2.gz ZKMQYUXIBIZGFO-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290656484 372035256 /nfs/dbraw/zinc/03/52/56/372035256.db2.gz ZKMQYUXIBIZGFO-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290656484 372035262 /nfs/dbraw/zinc/03/52/62/372035262.db2.gz ZKMQYUXIBIZGFO-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290656484 372035269 /nfs/dbraw/zinc/03/52/69/372035269.db2.gz ZKMQYUXIBIZGFO-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290656484 372035275 /nfs/dbraw/zinc/03/52/75/372035275.db2.gz ZKMQYUXIBIZGFO-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423220036 372037722 /nfs/dbraw/zinc/03/77/22/372037722.db2.gz XTWXBKUSBJQUAU-IUODEOHRSA-N 2 1 296.842 3.389 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C(C1CC1)C1CC1 ZINC000157859255 372040138 /nfs/dbraw/zinc/04/01/38/372040138.db2.gz HRXVUTSFXIOTDA-AWEZNQCLSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000423298416 372050013 /nfs/dbraw/zinc/05/00/13/372050013.db2.gz OJJXQCCRCYFECN-OCCSQVGLSA-N 2 1 264.438 3.331 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423328460 372051832 /nfs/dbraw/zinc/05/18/32/372051832.db2.gz OERDGSMJIXDIHS-RNCFNFMXSA-N 2 1 272.314 3.093 20 0 CGADMP c1ccc([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423354168 372053369 /nfs/dbraw/zinc/05/33/69/372053369.db2.gz FNNIAGFMGJRZDI-ZACQAIPSSA-N 2 1 258.409 3.054 20 0 CGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423185351 372012198 /nfs/dbraw/zinc/01/21/98/372012198.db2.gz VHQUBJRBUMASOB-CQSZACIVSA-N 2 1 292.398 3.073 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423470250 372067505 /nfs/dbraw/zinc/06/75/05/372067505.db2.gz PCAIMMAYYZTFGW-DOTOQJQBSA-N 2 1 288.435 3.106 20 0 CGADMP C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000158656525 372077554 /nfs/dbraw/zinc/07/75/54/372077554.db2.gz PNWNURRQAJKFFN-XHSDSOJGSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCCC(C)(C)C)CC[NH2+]CC2 ZINC000424290416 372081320 /nfs/dbraw/zinc/08/13/20/372081320.db2.gz MNGVVZAQZPDBLA-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000159331177 372132973 /nfs/dbraw/zinc/13/29/73/372132973.db2.gz CTJFLQVRJRDXNY-YVEFUNNKSA-N 2 1 276.399 3.133 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292258905 372184656 /nfs/dbraw/zinc/18/46/56/372184656.db2.gz YJAZFFATIJXODL-DOTOQJQBSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292258905 372184661 /nfs/dbraw/zinc/18/46/61/372184661.db2.gz YJAZFFATIJXODL-DOTOQJQBSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292258905 372184668 /nfs/dbraw/zinc/18/46/68/372184668.db2.gz YJAZFFATIJXODL-DOTOQJQBSA-N 2 1 258.409 3.084 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)CCC1 ZINC000429446988 372368337 /nfs/dbraw/zinc/36/83/37/372368337.db2.gz HGIRWOBZARSDQJ-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430946791 372408230 /nfs/dbraw/zinc/40/82/30/372408230.db2.gz XZWDKFNGBUBYJL-BXUZGUMPSA-N 2 1 284.856 3.101 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000293770832 372475803 /nfs/dbraw/zinc/47/58/03/372475803.db2.gz SEKYREFMTDWEEG-QIJZBDPFSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000293770832 372475811 /nfs/dbraw/zinc/47/58/11/372475811.db2.gz SEKYREFMTDWEEG-QIJZBDPFSA-N 2 1 276.399 3.144 20 0 CGADMP CCCCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)CCC ZINC000431069590 372423398 /nfs/dbraw/zinc/42/33/98/372423398.db2.gz MIZXUMAHKWOWIH-CYBMUJFWSA-N 2 1 296.459 3.444 20 0 CGADMP CCOc1cccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293608069 372424185 /nfs/dbraw/zinc/42/41/85/372424185.db2.gz JUHBSBACNACBHR-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293608069 372424187 /nfs/dbraw/zinc/42/41/87/372424187.db2.gz JUHBSBACNACBHR-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293608069 372424195 /nfs/dbraw/zinc/42/41/95/372424195.db2.gz JUHBSBACNACBHR-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000162918009 372435022 /nfs/dbraw/zinc/43/50/22/372435022.db2.gz QXQWGKJUTRKGSC-NVXWUHKLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000162918009 372435030 /nfs/dbraw/zinc/43/50/30/372435030.db2.gz QXQWGKJUTRKGSC-NVXWUHKLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000162918009 372435041 /nfs/dbraw/zinc/43/50/41/372435041.db2.gz QXQWGKJUTRKGSC-NVXWUHKLSA-N 2 1 288.435 3.316 20 0 CGADMP CCN(CC[C@H]1CCC[N@H+]1C)Cc1cccc(F)c1 ZINC000163668627 372485964 /nfs/dbraw/zinc/48/59/64/372485964.db2.gz KIFUNUWHAZJEIY-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(F)c1 ZINC000163668627 372485968 /nfs/dbraw/zinc/48/59/68/372485968.db2.gz KIFUNUWHAZJEIY-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(F)c1 ZINC000163668627 372485972 /nfs/dbraw/zinc/48/59/72/372485972.db2.gz KIFUNUWHAZJEIY-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(F)c1 ZINC000163668627 372485973 /nfs/dbraw/zinc/48/59/73/372485973.db2.gz KIFUNUWHAZJEIY-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(F)c1 ZINC000163668627 372485976 /nfs/dbraw/zinc/48/59/76/372485976.db2.gz KIFUNUWHAZJEIY-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000163839513 372494509 /nfs/dbraw/zinc/49/45/09/372494509.db2.gz XNYRWQIMCKNGBC-XJKSGUPXSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000163839513 372494519 /nfs/dbraw/zinc/49/45/19/372494519.db2.gz XNYRWQIMCKNGBC-XJKSGUPXSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000163884616 372499211 /nfs/dbraw/zinc/49/92/11/372499211.db2.gz RSDNGLOXWKNXRT-HLLBOEOZSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000163884616 372499219 /nfs/dbraw/zinc/49/92/19/372499219.db2.gz RSDNGLOXWKNXRT-HLLBOEOZSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000163884714 372499269 /nfs/dbraw/zinc/49/92/69/372499269.db2.gz RSDNGLOXWKNXRT-YQQAZPJKSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000163884714 372499275 /nfs/dbraw/zinc/49/92/75/372499275.db2.gz RSDNGLOXWKNXRT-YQQAZPJKSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC000166322296 372570887 /nfs/dbraw/zinc/57/08/87/372570887.db2.gz UJLXEZZMFJVJIT-OLMNPRSZSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@H+]1C ZINC000166322296 372570896 /nfs/dbraw/zinc/57/08/96/372570896.db2.gz UJLXEZZMFJVJIT-OLMNPRSZSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432817796 372573713 /nfs/dbraw/zinc/57/37/13/372573713.db2.gz UCKSAJJDGYZPON-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cs1 ZINC000294124745 372588167 /nfs/dbraw/zinc/58/81/67/372588167.db2.gz DZQNHEDNMGAAQQ-CYBMUJFWSA-N 2 1 254.443 3.437 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cs1 ZINC000294124745 372588171 /nfs/dbraw/zinc/58/81/71/372588171.db2.gz DZQNHEDNMGAAQQ-CYBMUJFWSA-N 2 1 254.443 3.437 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CCOCC1 ZINC000168319372 372609674 /nfs/dbraw/zinc/60/96/74/372609674.db2.gz OCQCUBJDHWDUEI-HOTGVXAUSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000435388689 372755205 /nfs/dbraw/zinc/75/52/05/372755205.db2.gz GQOUCQLVFQJXPB-QGZVFWFLSA-N 2 1 298.434 3.041 20 0 CGADMP CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000435388689 372755210 /nfs/dbraw/zinc/75/52/10/372755210.db2.gz GQOUCQLVFQJXPB-QGZVFWFLSA-N 2 1 298.434 3.041 20 0 CGADMP CCC[C@H](C)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435387747 372755522 /nfs/dbraw/zinc/75/55/22/372755522.db2.gz BJOBAWHMNDYBAE-FUHWJXTLSA-N 2 1 289.467 3.462 20 0 CGADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435381424 372756157 /nfs/dbraw/zinc/75/61/57/372756157.db2.gz WIFXKQRWDISLTI-HNNXBMFYSA-N 2 1 296.414 3.143 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435395082 372758355 /nfs/dbraw/zinc/75/83/55/372758355.db2.gz QWHSYJXUEWFLBH-AWEZNQCLSA-N 2 1 296.842 3.313 20 0 CGADMP CC(C)(C)OCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171502526 372775080 /nfs/dbraw/zinc/77/50/80/372775080.db2.gz GRRJLCLGMHGJTG-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000435868573 372821413 /nfs/dbraw/zinc/82/14/13/372821413.db2.gz FXLVNVHYUALNGL-CQSZACIVSA-N 2 1 252.789 3.086 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000435868573 372821418 /nfs/dbraw/zinc/82/14/18/372821418.db2.gz FXLVNVHYUALNGL-CQSZACIVSA-N 2 1 252.789 3.086 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)O[C@H]1C ZINC000295507203 372807825 /nfs/dbraw/zinc/80/78/25/372807825.db2.gz UPHIOHCWTBHDQK-VKJFTORMSA-N 2 1 290.451 3.182 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCC2 ZINC000295980903 372983999 /nfs/dbraw/zinc/98/39/99/372983999.db2.gz OSNASZFQYLLXRX-NZKYFMOASA-N 2 1 284.447 3.451 20 0 CGADMP CC[C@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+]1CCCC1 ZINC000442714086 373067305 /nfs/dbraw/zinc/06/73/05/373067305.db2.gz KRQCINAMQGKMBZ-JXQTWKCFSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCSc1ccccc1Cl ZINC000442777560 373078430 /nfs/dbraw/zinc/07/84/30/373078430.db2.gz DHRWKDOWRWGWOO-QWHCGFSZSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000442797281 373086779 /nfs/dbraw/zinc/08/67/79/373086779.db2.gz WNUWEDBNSLBGJW-HZPDHXFCSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755921 373073240 /nfs/dbraw/zinc/07/32/40/373073240.db2.gz JODOEUWQXXTPIY-HZSPNIEDSA-N 2 1 285.391 3.072 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755921 373073250 /nfs/dbraw/zinc/07/32/50/373073250.db2.gz JODOEUWQXXTPIY-HZSPNIEDSA-N 2 1 285.391 3.072 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000296516507 373161222 /nfs/dbraw/zinc/16/12/22/373161222.db2.gz PSGABXRWIVVYFW-LNRIEFBSSA-N 2 1 288.435 3.279 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442925332 373128666 /nfs/dbraw/zinc/12/86/66/373128666.db2.gz UZKTYJKSBSLJQT-MRXNPFEDSA-N 2 1 290.451 3.426 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000173344976 373128943 /nfs/dbraw/zinc/12/89/43/373128943.db2.gz TZMFROQTDJNKFL-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000173344976 373128948 /nfs/dbraw/zinc/12/89/48/373128948.db2.gz TZMFROQTDJNKFL-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000174515851 373331727 /nfs/dbraw/zinc/33/17/27/373331727.db2.gz QWZMMFWJRWIEAJ-DOTOQJQBSA-N 2 1 290.451 3.294 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298580463 373359741 /nfs/dbraw/zinc/35/97/41/373359741.db2.gz XTFZOEMVLGVESE-HNNXBMFYSA-N 2 1 272.436 3.315 20 0 CGADMP CCC(CC)n1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000446771008 373362556 /nfs/dbraw/zinc/36/25/56/373362556.db2.gz WNIUTHJBEVOYEH-UHFFFAOYSA-N 2 1 292.471 3.018 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000447819439 373498594 /nfs/dbraw/zinc/49/85/94/373498594.db2.gz AEFFNZDXDHTRBV-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C1CC2(CCC2)C1)C1CCCCC1 ZINC000448058685 373543920 /nfs/dbraw/zinc/54/39/20/373543920.db2.gz QZKFMFOVNKWUGK-INIZCTEOSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(CCC2)C1 ZINC000448071333 373545279 /nfs/dbraw/zinc/54/52/79/373545279.db2.gz WBJDLGDEASDDQQ-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(CCC2)C1 ZINC000448071333 373545285 /nfs/dbraw/zinc/54/52/85/373545285.db2.gz WBJDLGDEASDDQQ-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC)C1 ZINC000176275078 373576632 /nfs/dbraw/zinc/57/66/32/373576632.db2.gz MXDYCOJFFYHREH-MRXNPFEDSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC)C1 ZINC000176275078 373576639 /nfs/dbraw/zinc/57/66/39/373576639.db2.gz MXDYCOJFFYHREH-MRXNPFEDSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCC)C1 ZINC000176275078 373576647 /nfs/dbraw/zinc/57/66/47/373576647.db2.gz MXDYCOJFFYHREH-MRXNPFEDSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCC)C1 ZINC000176275078 373576651 /nfs/dbraw/zinc/57/66/51/373576651.db2.gz MXDYCOJFFYHREH-MRXNPFEDSA-N 2 1 290.451 3.249 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000300316515 373623258 /nfs/dbraw/zinc/62/32/58/373623258.db2.gz RWMMNWAHBAMWGA-YYIAUSFCSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000300316515 373623269 /nfs/dbraw/zinc/62/32/69/373623269.db2.gz RWMMNWAHBAMWGA-YYIAUSFCSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300316898 373623491 /nfs/dbraw/zinc/62/34/91/373623491.db2.gz XMPPGKAJJQOHJT-OAGGEKHMSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000300135599 373619585 /nfs/dbraw/zinc/61/95/85/373619585.db2.gz JJOHOYUSLNQUPQ-NIOBXDJOSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000300135599 373619591 /nfs/dbraw/zinc/61/95/91/373619591.db2.gz JJOHOYUSLNQUPQ-NIOBXDJOSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000177849576 373715978 /nfs/dbraw/zinc/71/59/78/373715978.db2.gz NFVJAZQUGAUOAO-DVOMOZLQSA-N 2 1 296.842 3.037 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449133558 373663836 /nfs/dbraw/zinc/66/38/36/373663836.db2.gz YXKGXIRFXKKCBX-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(CSC)CC2)[C@@H](C)C1 ZINC000449172225 373668171 /nfs/dbraw/zinc/66/81/71/373668171.db2.gz VHVZOKXFVVREQB-SLTXQBBLSA-N 2 1 284.513 3.228 20 0 CGADMP Cc1cc(NCCCCC[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000301280502 373727247 /nfs/dbraw/zinc/72/72/47/373727247.db2.gz SYTHKHXZMBTDPD-UHFFFAOYSA-N 2 1 276.428 3.162 20 0 CGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnccn2)c1 ZINC000177977887 373732140 /nfs/dbraw/zinc/73/21/40/373732140.db2.gz NFOQPFIUXMXNHS-HNNXBMFYSA-N 2 1 298.434 3.168 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnccn2)c1 ZINC000177977887 373732154 /nfs/dbraw/zinc/73/21/54/373732154.db2.gz NFOQPFIUXMXNHS-HNNXBMFYSA-N 2 1 298.434 3.168 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178972057 373823658 /nfs/dbraw/zinc/82/36/58/373823658.db2.gz UNCIVHZFQZFJLK-GOSISDBHSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1cc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000302559099 373894926 /nfs/dbraw/zinc/89/49/26/373894926.db2.gz KTEMIGQQFZUAJL-LJQANCHMSA-N 2 1 295.430 3.491 20 0 CGADMP CN(CC[N@H+](C)C1CC1)c1cc[nH+]c2ccc(Cl)cc21 ZINC000302273611 373848594 /nfs/dbraw/zinc/84/85/94/373848594.db2.gz SKSZEMLJCSDIKV-UHFFFAOYSA-N 2 1 289.810 3.419 20 0 CGADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c2ccc(Cl)cc21 ZINC000302273611 373848599 /nfs/dbraw/zinc/84/85/99/373848599.db2.gz SKSZEMLJCSDIKV-UHFFFAOYSA-N 2 1 289.810 3.419 20 0 CGADMP CC[C@H]1CN(c2cc[nH+]c(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000302395659 373861254 /nfs/dbraw/zinc/86/12/54/373861254.db2.gz GIZKNPYNRXHTGC-SFHVURJKSA-N 2 1 295.430 3.491 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(CC)CC ZINC000181425644 374122150 /nfs/dbraw/zinc/12/21/50/374122150.db2.gz IHFLPTKSBAWIDH-DLBZAZTESA-N 2 1 294.483 3.187 20 0 CGADMP CCc1ccc2[nH+]ccc(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2c1 ZINC000450431539 374125482 /nfs/dbraw/zinc/12/54/82/374125482.db2.gz ZWMKHFRWOJKNRR-BEFAXECRSA-N 2 1 295.430 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308771913 374180405 /nfs/dbraw/zinc/18/04/05/374180405.db2.gz XPQHPDCUKGRUEO-HIFRSBDPSA-N 2 1 250.430 3.053 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360109 374198292 /nfs/dbraw/zinc/19/82/92/374198292.db2.gz DMQIQMISAZTFEF-ICUGJSFKSA-N 2 1 274.452 3.005 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360109 374198299 /nfs/dbraw/zinc/19/82/99/374198299.db2.gz DMQIQMISAZTFEF-ICUGJSFKSA-N 2 1 274.452 3.005 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360109 374198307 /nfs/dbraw/zinc/19/83/07/374198307.db2.gz DMQIQMISAZTFEF-ICUGJSFKSA-N 2 1 274.452 3.005 20 0 CGADMP CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309972782 374204384 /nfs/dbraw/zinc/20/43/84/374204384.db2.gz OQAGZGYIFGWPIA-CGTJXYLNSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309972782 374204387 /nfs/dbraw/zinc/20/43/87/374204387.db2.gz OQAGZGYIFGWPIA-CGTJXYLNSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309972782 374204392 /nfs/dbraw/zinc/20/43/92/374204392.db2.gz OQAGZGYIFGWPIA-CGTJXYLNSA-N 2 1 272.436 3.239 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182051392 374211154 /nfs/dbraw/zinc/21/11/54/374211154.db2.gz FXRSCOVZSRXVCV-JKSUJKDBSA-N 2 1 285.435 3.296 20 0 CGADMP CCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000310751797 374223621 /nfs/dbraw/zinc/22/36/21/374223621.db2.gz KHIWSXRBPKMQRI-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cnc2ccsc2c1 ZINC000311561985 374246911 /nfs/dbraw/zinc/24/69/11/374246911.db2.gz SEMIOTGOVAZURN-NWDGAFQWSA-N 2 1 277.437 3.145 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000312980952 374296849 /nfs/dbraw/zinc/29/68/49/374296849.db2.gz AZMCYYQVCSPYQR-INIZCTEOSA-N 2 1 262.441 3.341 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000314510119 374320172 /nfs/dbraw/zinc/32/01/72/374320172.db2.gz FHHXPSRRRTZKPI-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079342829 541920792 /nfs/dbraw/zinc/92/07/92/541920792.db2.gz ODTPGDWUQNWNBB-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182914147 374340490 /nfs/dbraw/zinc/34/04/90/374340490.db2.gz CCNNQDYVTQGGIR-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328126522 374360769 /nfs/dbraw/zinc/36/07/69/374360769.db2.gz UHZXSNVAKWONAL-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453334917 374427604 /nfs/dbraw/zinc/42/76/04/374427604.db2.gz XLXQWSKUGGMSMI-LOGPRUAHSA-N 2 1 272.436 3.453 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000086904383 541940745 /nfs/dbraw/zinc/94/07/45/541940745.db2.gz RRSDASHWTAWQLJ-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C1CC1 ZINC000453409476 374475220 /nfs/dbraw/zinc/47/52/20/374475220.db2.gz UINYPTVUIGLVMO-NUEKZKHPSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000184499942 374531807 /nfs/dbraw/zinc/53/18/07/374531807.db2.gz REHORRGGTYKMPE-CVEARBPZSA-N 2 1 292.471 3.379 20 0 CGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1nccs1 ZINC000185113324 374589757 /nfs/dbraw/zinc/58/97/57/374589757.db2.gz IDBJMKTUJOECGG-ZDUSSCGKSA-N 2 1 278.425 3.169 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000185358360 374647073 /nfs/dbraw/zinc/64/70/73/374647073.db2.gz JGSGDZTWRRGXJM-DOMZBBRYSA-N 2 1 282.378 3.444 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000185526267 374682073 /nfs/dbraw/zinc/68/20/73/374682073.db2.gz FZLOGEAVAIWCJJ-OAHLLOKOSA-N 2 1 278.465 3.230 20 0 CGADMP Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663245 374707269 /nfs/dbraw/zinc/70/72/69/374707269.db2.gz JNFCUMZKDXQSIN-DOMZBBRYSA-N 2 1 291.439 3.034 20 0 CGADMP Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663245 374707271 /nfs/dbraw/zinc/70/72/71/374707271.db2.gz JNFCUMZKDXQSIN-DOMZBBRYSA-N 2 1 291.439 3.034 20 0 CGADMP COCCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681250 374714244 /nfs/dbraw/zinc/71/42/44/374714244.db2.gz JEMUYHOFNJYLNJ-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000459739539 374817309 /nfs/dbraw/zinc/81/73/09/374817309.db2.gz SUBPNDYJIAUTLE-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000459725071 374817665 /nfs/dbraw/zinc/81/76/65/374817665.db2.gz AYHQKHUFFFUXDA-IYXRBSQSSA-N 2 1 292.389 3.429 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000459780922 374820521 /nfs/dbraw/zinc/82/05/21/374820521.db2.gz LXKVZMHNYQXYBK-QAPCUYQASA-N 2 1 287.451 3.255 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCC2CC2)cn1 ZINC000186261800 374823190 /nfs/dbraw/zinc/82/31/90/374823190.db2.gz ZEGNKRQKTSHIKH-ZDUSSCGKSA-N 2 1 284.407 3.244 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000334555645 374852712 /nfs/dbraw/zinc/85/27/12/374852712.db2.gz QKBKONSCLACLHL-HIFRSBDPSA-N 2 1 273.424 3.055 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528251 541987606 /nfs/dbraw/zinc/98/76/06/541987606.db2.gz KARMRGVQAZPRIV-CQSZACIVSA-N 2 1 258.409 3.125 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000467421680 374974221 /nfs/dbraw/zinc/97/42/21/374974221.db2.gz YSVOWJJZYLLVQL-NBOOPKSLSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000467421680 374974229 /nfs/dbraw/zinc/97/42/29/374974229.db2.gz YSVOWJJZYLLVQL-NBOOPKSLSA-N 2 1 272.436 3.171 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC(F)(F)CC3)CC[C@H]21 ZINC000334785840 375031921 /nfs/dbraw/zinc/03/19/21/375031921.db2.gz DAKJMKKYADVFRO-HUUCEWRRSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)CC[C@H]21 ZINC000334785840 375031928 /nfs/dbraw/zinc/03/19/28/375031928.db2.gz DAKJMKKYADVFRO-HUUCEWRRSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@H]21 ZINC000334785840 375031934 /nfs/dbraw/zinc/03/19/34/375031934.db2.gz DAKJMKKYADVFRO-HUUCEWRRSA-N 2 1 286.410 3.228 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CC1([NH3+])CCCCC1)CCC2 ZINC000335006402 375066990 /nfs/dbraw/zinc/06/69/90/375066990.db2.gz DCILOJCBJRYJMB-LBPRGKRZSA-N 2 1 279.453 3.080 20 0 CGADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000335191427 375214257 /nfs/dbraw/zinc/21/42/57/375214257.db2.gz FDZHYZVRDVEKLY-GFCCVEGCSA-N 2 1 258.365 3.144 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000189508576 375401177 /nfs/dbraw/zinc/40/11/77/375401177.db2.gz DSCRCIOWBFTGGP-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1 ZINC000189508576 375401184 /nfs/dbraw/zinc/40/11/84/375401184.db2.gz DSCRCIOWBFTGGP-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c1 ZINC000189508576 375401192 /nfs/dbraw/zinc/40/11/92/375401192.db2.gz DSCRCIOWBFTGGP-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000189370910 375377748 /nfs/dbraw/zinc/37/77/48/375377748.db2.gz ZYUZDWCXZGYSNX-ABFRBSLYSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000189370910 375377750 /nfs/dbraw/zinc/37/77/50/375377750.db2.gz ZYUZDWCXZGYSNX-ABFRBSLYSA-N 2 1 288.435 3.137 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC3(CCCCC3)O2)CC[N@@H+]1C ZINC000190978926 375556446 /nfs/dbraw/zinc/55/64/46/375556446.db2.gz NOWRPQSMSATBDA-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC3(CCCCC3)O2)CC[N@H+]1C ZINC000190978926 375556451 /nfs/dbraw/zinc/55/64/51/375556451.db2.gz NOWRPQSMSATBDA-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC3(CCCCC3)O2)CC[NH+]1C ZINC000190978926 375556455 /nfs/dbraw/zinc/55/64/55/375556455.db2.gz NOWRPQSMSATBDA-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC3(CCCCC3)O2)CC[NH+]1C ZINC000190978926 375556462 /nfs/dbraw/zinc/55/64/62/375556462.db2.gz NOWRPQSMSATBDA-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000502867817 375648327 /nfs/dbraw/zinc/64/83/27/375648327.db2.gz ORYGZKXERVKWLW-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502867817 375648333 /nfs/dbraw/zinc/64/83/33/375648333.db2.gz ORYGZKXERVKWLW-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000502867817 375648336 /nfs/dbraw/zinc/64/83/36/375648336.db2.gz ORYGZKXERVKWLW-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000191701353 375654360 /nfs/dbraw/zinc/65/43/60/375654360.db2.gz JKQXFZMETTXIMF-HUUCEWRRSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000191832140 375668637 /nfs/dbraw/zinc/66/86/37/375668637.db2.gz PULRJTUVQQYZBA-IYOUNJFTSA-N 2 1 299.418 3.256 20 0 CGADMP CC[C@H](C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192098817 375698014 /nfs/dbraw/zinc/69/80/14/375698014.db2.gz IDBXLYVOXKBFJI-AWEZNQCLSA-N 2 1 257.381 3.411 20 0 CGADMP FC(F)(F)[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123992441 542030580 /nfs/dbraw/zinc/03/05/80/542030580.db2.gz FLTDIMPBWBBFLV-AWEZNQCLSA-N 2 1 298.352 3.107 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)cn1 ZINC000193125515 375830979 /nfs/dbraw/zinc/83/09/79/375830979.db2.gz DUTIHSZAVOIPCQ-CZUORRHYSA-N 2 1 298.434 3.490 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000336811456 375962999 /nfs/dbraw/zinc/96/29/99/375962999.db2.gz NBIRLOUHJTUPEV-WVZRYYJFSA-N 2 1 258.409 3.307 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000336811456 375963003 /nfs/dbraw/zinc/96/30/03/375963003.db2.gz NBIRLOUHJTUPEV-WVZRYYJFSA-N 2 1 258.409 3.307 20 0 CGADMP CC(C)COCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336845175 376006974 /nfs/dbraw/zinc/00/69/74/376006974.db2.gz VIOHXDYZPXTFDJ-SFHVURJKSA-N 2 1 296.499 3.103 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336845175 376006978 /nfs/dbraw/zinc/00/69/78/376006978.db2.gz VIOHXDYZPXTFDJ-SFHVURJKSA-N 2 1 296.499 3.103 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000536658774 376111968 /nfs/dbraw/zinc/11/19/68/376111968.db2.gz LMAZNNJSVTWDOO-CJNGLKHVSA-N 2 1 280.481 3.473 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)s1 ZINC000536658774 376111977 /nfs/dbraw/zinc/11/19/77/376111977.db2.gz LMAZNNJSVTWDOO-CJNGLKHVSA-N 2 1 280.481 3.473 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)s1 ZINC000536658774 376111985 /nfs/dbraw/zinc/11/19/85/376111985.db2.gz LMAZNNJSVTWDOO-CJNGLKHVSA-N 2 1 280.481 3.473 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000195138366 376082561 /nfs/dbraw/zinc/08/25/61/376082561.db2.gz VVEZMFOHCBZMII-WMZOPIPTSA-N 2 1 295.430 3.254 20 0 CGADMP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211951223 376136387 /nfs/dbraw/zinc/13/63/87/376136387.db2.gz CNBGJBHMGCRXJP-KDOFPFPSSA-N 2 1 272.436 3.343 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000536852100 376137609 /nfs/dbraw/zinc/13/76/09/376137609.db2.gz MGJCLSCJHAIFFI-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000212813711 376139405 /nfs/dbraw/zinc/13/94/05/376139405.db2.gz HBKNDPXYPXCPSL-SNVBAGLBSA-N 2 1 258.768 3.081 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000536875937 376139879 /nfs/dbraw/zinc/13/98/79/376139879.db2.gz JNWMPGNSMDJMEO-GZBFAFLISA-N 2 1 296.842 3.037 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000536879591 376142214 /nfs/dbraw/zinc/14/22/14/376142214.db2.gz XGBSTUNFEDFERW-MAUKXSAKSA-N 2 1 298.430 3.148 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1F ZINC000536697820 376123403 /nfs/dbraw/zinc/12/34/03/376123403.db2.gz IFRHEWUDZOLDND-KRWDZBQOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1F ZINC000536697820 376123406 /nfs/dbraw/zinc/12/34/06/376123406.db2.gz IFRHEWUDZOLDND-KRWDZBQOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1F ZINC000536697820 376123409 /nfs/dbraw/zinc/12/34/09/376123409.db2.gz IFRHEWUDZOLDND-KRWDZBQOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1F ZINC000536697820 376123412 /nfs/dbraw/zinc/12/34/12/376123412.db2.gz IFRHEWUDZOLDND-KRWDZBQOSA-N 2 1 290.426 3.298 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000537966095 376214390 /nfs/dbraw/zinc/21/43/90/376214390.db2.gz UJXILNGSNNSPFD-WWGRRREGSA-N 2 1 292.492 3.445 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222020804 376227941 /nfs/dbraw/zinc/22/79/41/376227941.db2.gz LMXTVDBJPMOCJS-SZMVWBNQSA-N 2 1 272.436 3.142 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000222924711 376242921 /nfs/dbraw/zinc/24/29/21/376242921.db2.gz YLODYVFVUFLISR-RCBQFDQVSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000222924711 376242926 /nfs/dbraw/zinc/24/29/26/376242926.db2.gz YLODYVFVUFLISR-RCBQFDQVSA-N 2 1 264.388 3.349 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000224189655 376273877 /nfs/dbraw/zinc/27/38/77/376273877.db2.gz TUTAKTDBWUELSZ-UHFFFAOYSA-N 2 1 258.409 3.041 20 0 CGADMP CC(C)n1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cn1 ZINC000226239813 376344591 /nfs/dbraw/zinc/34/45/91/376344591.db2.gz XGECGVNWBZPQJE-UHFFFAOYSA-N 2 1 292.471 3.208 20 0 CGADMP CC(C)n1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000226239813 376344596 /nfs/dbraw/zinc/34/45/96/376344596.db2.gz XGECGVNWBZPQJE-UHFFFAOYSA-N 2 1 292.471 3.208 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000539226134 376300215 /nfs/dbraw/zinc/30/02/15/376300215.db2.gz LLAOMYSYNGLAGK-AWEZNQCLSA-N 2 1 287.407 3.330 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226327498 376351110 /nfs/dbraw/zinc/35/11/10/376351110.db2.gz UAYNGKXGNXWITN-VYDXJSESSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226327498 376351118 /nfs/dbraw/zinc/35/11/18/376351118.db2.gz UAYNGKXGNXWITN-VYDXJSESSA-N 2 1 260.425 3.080 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cs1 ZINC000227732702 376407511 /nfs/dbraw/zinc/40/75/11/376407511.db2.gz SGYXTMUWADQNPA-LBPRGKRZSA-N 2 1 260.834 3.207 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)cs1 ZINC000227732702 376407515 /nfs/dbraw/zinc/40/75/15/376407515.db2.gz SGYXTMUWADQNPA-LBPRGKRZSA-N 2 1 260.834 3.207 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)C[C@H]1CCC[NH2+]C1 ZINC000226435428 376359682 /nfs/dbraw/zinc/35/96/82/376359682.db2.gz XZDRBVCOSQTLJF-HNNXBMFYSA-N 2 1 268.404 3.271 20 0 CGADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000226436027 376359823 /nfs/dbraw/zinc/35/98/23/376359823.db2.gz QMZSNFWVDFAWFF-AWEZNQCLSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000226449241 376360086 /nfs/dbraw/zinc/36/00/86/376360086.db2.gz RQNULWWMIGFGEC-AWEZNQCLSA-N 2 1 268.351 3.198 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000226439013 376360102 /nfs/dbraw/zinc/36/01/02/376360102.db2.gz VEJLUVVVZAJKPJ-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCOC(C)C)CC1)CC(C)C ZINC000540198748 376365956 /nfs/dbraw/zinc/36/59/56/376365956.db2.gz JNGOXNPKEGLPPD-UHFFFAOYSA-N 2 1 298.515 3.491 20 0 CGADMP CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604445 376366814 /nfs/dbraw/zinc/36/68/14/376366814.db2.gz IYHISARURGGOSY-XEZPLFJOSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccccc1F ZINC000226604445 376366817 /nfs/dbraw/zinc/36/68/17/376366817.db2.gz IYHISARURGGOSY-XEZPLFJOSA-N 2 1 264.388 3.349 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000226918298 376375510 /nfs/dbraw/zinc/37/55/10/376375510.db2.gz IXLCQNZLBUFULZ-CRAIPNDOSA-N 2 1 272.436 3.378 20 0 CGADMP COCC1([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000540750498 376392740 /nfs/dbraw/zinc/39/27/40/376392740.db2.gz GHZJEMXXLIOPBE-CYBMUJFWSA-N 2 1 285.391 3.010 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C2CCC2)o1 ZINC000541744025 376476840 /nfs/dbraw/zinc/47/68/40/376476840.db2.gz GATMSHLDPGRYDX-WMLDXEAASA-N 2 1 276.424 3.361 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CCC2)o1 ZINC000541744025 376476849 /nfs/dbraw/zinc/47/68/49/376476849.db2.gz GATMSHLDPGRYDX-WMLDXEAASA-N 2 1 276.424 3.361 20 0 CGADMP F[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000334278669 206301204 /nfs/dbraw/zinc/30/12/04/206301204.db2.gz PONDKDNMAOFKDK-CVEARBPZSA-N 2 1 268.420 3.264 20 0 CGADMP C[N@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231463918 376560993 /nfs/dbraw/zinc/56/09/93/376560993.db2.gz XXSIGCRBWDPNKY-CQSZACIVSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231463918 376560998 /nfs/dbraw/zinc/56/09/98/376560998.db2.gz XXSIGCRBWDPNKY-CQSZACIVSA-N 2 1 270.779 3.053 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000542464206 376542660 /nfs/dbraw/zinc/54/26/60/376542660.db2.gz BPDFJELVUNLCJV-QZWWFDLISA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000542464206 376542669 /nfs/dbraw/zinc/54/26/69/376542669.db2.gz BPDFJELVUNLCJV-QZWWFDLISA-N 2 1 266.473 3.475 20 0 CGADMP CCC[N@@H+](CCc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000233053569 376595334 /nfs/dbraw/zinc/59/53/34/376595334.db2.gz YNJHSUCSMSURFU-AWEZNQCLSA-N 2 1 266.454 3.002 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC000264390311 190106431 /nfs/dbraw/zinc/10/64/31/190106431.db2.gz SAQMRYQMOWHLLX-AWEZNQCLSA-N 2 1 294.402 3.166 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000544023128 376695170 /nfs/dbraw/zinc/69/51/70/376695170.db2.gz FFQFGDVWLATSPG-VNQPRFMTSA-N 2 1 278.465 3.095 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000544023128 376695173 /nfs/dbraw/zinc/69/51/73/376695173.db2.gz FFQFGDVWLATSPG-VNQPRFMTSA-N 2 1 278.465 3.095 20 0 CGADMP CCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000236940211 376716177 /nfs/dbraw/zinc/71/61/77/376716177.db2.gz JIJMZSABNHVFMN-AWEZNQCLSA-N 2 1 287.407 3.016 20 0 CGADMP C[NH+](C/C=C/C[N@@H+](C)CCC1CC1)CCC1CC1 ZINC000136742137 542092777 /nfs/dbraw/zinc/09/27/77/542092777.db2.gz BJRWDBFUSOPBND-ONEGZZNKSA-N 2 1 250.430 3.006 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000544895522 376768771 /nfs/dbraw/zinc/76/87/71/376768771.db2.gz YOFKXYRSSMNGSP-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000544895522 376768776 /nfs/dbraw/zinc/76/87/76/376768776.db2.gz YOFKXYRSSMNGSP-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000544895522 376768783 /nfs/dbraw/zinc/76/87/83/376768783.db2.gz YOFKXYRSSMNGSP-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245442605 376818724 /nfs/dbraw/zinc/81/87/24/376818724.db2.gz WLCXTFLEYIRAQJ-LRDDRELGSA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245442605 376818734 /nfs/dbraw/zinc/81/87/34/376818734.db2.gz WLCXTFLEYIRAQJ-LRDDRELGSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245442605 376818744 /nfs/dbraw/zinc/81/87/44/376818744.db2.gz WLCXTFLEYIRAQJ-LRDDRELGSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245442605 376818750 /nfs/dbraw/zinc/81/87/50/376818750.db2.gz WLCXTFLEYIRAQJ-LRDDRELGSA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1 ZINC000245456839 376822355 /nfs/dbraw/zinc/82/23/55/376822355.db2.gz UAGCTYPOPZRZRY-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245456839 376822361 /nfs/dbraw/zinc/82/23/61/376822361.db2.gz UAGCTYPOPZRZRY-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245456839 376822368 /nfs/dbraw/zinc/82/23/68/376822368.db2.gz UAGCTYPOPZRZRY-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245456839 376822376 /nfs/dbraw/zinc/82/23/76/376822376.db2.gz UAGCTYPOPZRZRY-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245456839 376822384 /nfs/dbraw/zinc/82/23/84/376822384.db2.gz UAGCTYPOPZRZRY-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339721450 376826341 /nfs/dbraw/zinc/82/63/41/376826341.db2.gz XKAFCUNLUJRGDD-GJZGRUSLSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339721450 376826350 /nfs/dbraw/zinc/82/63/50/376826350.db2.gz XKAFCUNLUJRGDD-GJZGRUSLSA-N 2 1 261.413 3.092 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000245537826 376844671 /nfs/dbraw/zinc/84/46/71/376844671.db2.gz JFZOXKHAPUYHAS-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000347438945 284604642 /nfs/dbraw/zinc/60/46/42/284604642.db2.gz WAELNNWAKMVUFZ-INIZCTEOSA-N 2 1 298.858 3.085 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000245727531 376892769 /nfs/dbraw/zinc/89/27/69/376892769.db2.gz JDRIEALCAYPICA-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000245727531 376892781 /nfs/dbraw/zinc/89/27/81/376892781.db2.gz JDRIEALCAYPICA-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000245727531 376892785 /nfs/dbraw/zinc/89/27/85/376892785.db2.gz JDRIEALCAYPICA-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000556933190 376908094 /nfs/dbraw/zinc/90/80/94/376908094.db2.gz JSGFRXGZFSLCOF-KSZLIROESA-N 2 1 276.468 3.397 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000556933190 376908099 /nfs/dbraw/zinc/90/80/99/376908099.db2.gz JSGFRXGZFSLCOF-KSZLIROESA-N 2 1 276.468 3.397 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000556933190 376908105 /nfs/dbraw/zinc/90/81/05/376908105.db2.gz JSGFRXGZFSLCOF-KSZLIROESA-N 2 1 276.468 3.397 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245810707 376913345 /nfs/dbraw/zinc/91/33/45/376913345.db2.gz ZHPXPRPTPKXCAX-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245810707 376913354 /nfs/dbraw/zinc/91/33/54/376913354.db2.gz ZHPXPRPTPKXCAX-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000245810707 376913365 /nfs/dbraw/zinc/91/33/65/376913365.db2.gz ZHPXPRPTPKXCAX-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000245810707 376913372 /nfs/dbraw/zinc/91/33/72/376913372.db2.gz ZHPXPRPTPKXCAX-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000557393189 376933257 /nfs/dbraw/zinc/93/32/57/376933257.db2.gz OBMKXMUCDSPHTK-KSZLIROESA-N 2 1 290.426 3.139 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000245959259 376945583 /nfs/dbraw/zinc/94/55/83/376945583.db2.gz UMQJAXYPRPNOHQ-UONOGXRCSA-N 2 1 280.843 3.375 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000557904947 376963264 /nfs/dbraw/zinc/96/32/64/376963264.db2.gz KWPNVELAELQZJK-GJZGRUSLSA-N 2 1 278.415 3.249 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000246109568 376969374 /nfs/dbraw/zinc/96/93/74/376969374.db2.gz JRYITTNDQUJVSA-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426634 377051827 /nfs/dbraw/zinc/05/18/27/377051827.db2.gz MBJZLMQNJMUCMG-SWLSCSKDSA-N 2 1 282.378 3.228 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246221861 376991741 /nfs/dbraw/zinc/99/17/41/376991741.db2.gz QPVIRJYQBTXIBC-SJORKVTESA-N 2 1 272.436 3.208 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246272517 377001452 /nfs/dbraw/zinc/00/14/52/377001452.db2.gz VDVQDNWHMXQEHN-XJKSGUPXSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246272517 377001458 /nfs/dbraw/zinc/00/14/58/377001458.db2.gz VDVQDNWHMXQEHN-XJKSGUPXSA-N 2 1 272.392 3.253 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2)C1 ZINC000558419301 377006825 /nfs/dbraw/zinc/00/68/25/377006825.db2.gz SKXDFYSKXAPEEP-RDJZCZTQSA-N 2 1 292.442 3.467 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246939878 377125774 /nfs/dbraw/zinc/12/57/74/377125774.db2.gz HPEVQKMFMMOKSM-YOEHRIQHSA-N 2 1 290.426 3.177 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000246946687 377124897 /nfs/dbraw/zinc/12/48/97/377124897.db2.gz HVRDHBIGCQTBKD-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000246946687 377124903 /nfs/dbraw/zinc/12/49/03/377124903.db2.gz HVRDHBIGCQTBKD-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(F)c1 ZINC000247063245 377152992 /nfs/dbraw/zinc/15/29/92/377152992.db2.gz MQJVPCPAUWQIPM-CWRNSKLLSA-N 2 1 294.414 3.055 20 0 CGADMP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000247097092 377159601 /nfs/dbraw/zinc/15/96/01/377159601.db2.gz OLNAUFQXWQZDJA-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000247128108 377164129 /nfs/dbraw/zinc/16/41/29/377164129.db2.gz ROSVQULSRDQBNJ-HOTGVXAUSA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247145473 377166963 /nfs/dbraw/zinc/16/69/63/377166963.db2.gz WNGDABVCVIVHFH-WCVJEAGWSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247145473 377166967 /nfs/dbraw/zinc/16/69/67/377166967.db2.gz WNGDABVCVIVHFH-WCVJEAGWSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000247183483 377171936 /nfs/dbraw/zinc/17/19/36/377171936.db2.gz VIWKZBWKRUYWGO-FUHWJXTLSA-N 2 1 274.452 3.166 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000247226227 377179636 /nfs/dbraw/zinc/17/96/36/377179636.db2.gz WCOIYCSQQWIHIA-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000561314747 377220298 /nfs/dbraw/zinc/22/02/98/377220298.db2.gz ONECWNCCUIXQID-IRKLFDGPSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2C)[C@@H](C)C1 ZINC000247959043 377249722 /nfs/dbraw/zinc/24/97/22/377249722.db2.gz FYXFGBOXLOYQAI-IRXDYDNUSA-N 2 1 290.451 3.084 20 0 CGADMP CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000247982216 377252662 /nfs/dbraw/zinc/25/26/62/377252662.db2.gz ILXSTSUIUYLRNC-RBOXIYTFSA-N 2 1 282.378 3.488 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000247982216 377252669 /nfs/dbraw/zinc/25/26/69/377252669.db2.gz ILXSTSUIUYLRNC-RBOXIYTFSA-N 2 1 282.378 3.488 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248455331 377324183 /nfs/dbraw/zinc/32/41/83/377324183.db2.gz HUTQODWGMMJIID-VQHPVUNQSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000562744135 377356125 /nfs/dbraw/zinc/35/61/25/377356125.db2.gz QMRXVPYWPJKJGN-JTQLQIEISA-N 2 1 295.839 3.148 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000248882780 377421175 /nfs/dbraw/zinc/42/11/75/377421175.db2.gz RUVYYEIOXUDINA-BRWVUGGUSA-N 2 1 296.499 3.289 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(C)cccc32)[C@@H](C)C1 ZINC000248965043 377434475 /nfs/dbraw/zinc/43/44/75/377434475.db2.gz BPWRIXQIIWJVKN-XIRDDKMYSA-N 2 1 288.435 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(C)cccc32)[C@@H](C)C1 ZINC000248965043 377434481 /nfs/dbraw/zinc/43/44/81/377434481.db2.gz BPWRIXQIIWJVKN-XIRDDKMYSA-N 2 1 288.435 3.139 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249041114 377448807 /nfs/dbraw/zinc/44/88/07/377448807.db2.gz VBRRBYFAVOIPRF-ZIAGYGMSSA-N 2 1 294.389 3.238 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249041114 377448829 /nfs/dbraw/zinc/44/88/29/377448829.db2.gz VBRRBYFAVOIPRF-ZIAGYGMSSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249041114 377448833 /nfs/dbraw/zinc/44/88/33/377448833.db2.gz VBRRBYFAVOIPRF-ZIAGYGMSSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249041114 377448839 /nfs/dbraw/zinc/44/88/39/377448839.db2.gz VBRRBYFAVOIPRF-ZIAGYGMSSA-N 2 1 294.389 3.238 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000563365843 377451285 /nfs/dbraw/zinc/45/12/85/377451285.db2.gz NYZGCCWIKXBVRJ-HOTGVXAUSA-N 2 1 277.456 3.499 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000563365843 377451293 /nfs/dbraw/zinc/45/12/93/377451293.db2.gz NYZGCCWIKXBVRJ-HOTGVXAUSA-N 2 1 277.456 3.499 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC12CC2 ZINC000563444010 377468001 /nfs/dbraw/zinc/46/80/01/377468001.db2.gz XVIWVWMTWSJRGK-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000249182012 377474674 /nfs/dbraw/zinc/47/46/74/377474674.db2.gz IRRKWKWTEHFQRK-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000249182012 377474679 /nfs/dbraw/zinc/47/46/79/377474679.db2.gz IRRKWKWTEHFQRK-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062596 542170373 /nfs/dbraw/zinc/17/03/73/542170373.db2.gz IYHISARURGGOSY-DVOMOZLQSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccccc1F ZINC000164062596 542170377 /nfs/dbraw/zinc/17/03/77/542170377.db2.gz IYHISARURGGOSY-DVOMOZLQSA-N 2 1 264.388 3.349 20 0 CGADMP CC(C)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000095015730 249043040 /nfs/dbraw/zinc/04/30/40/249043040.db2.gz CKQQBMVDHXCPRR-YJBOKZPZSA-N 2 1 274.452 3.457 20 0 CGADMP CC(C)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000094848924 249043696 /nfs/dbraw/zinc/04/36/96/249043696.db2.gz FQAHKYXNMKAFHN-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421357857 249126203 /nfs/dbraw/zinc/12/62/03/249126203.db2.gz RGMYOBMGVYTLPF-QGZVFWFLSA-N 2 1 281.403 3.287 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000341397176 377549769 /nfs/dbraw/zinc/54/97/69/377549769.db2.gz NFDJKXVLWTXHTE-RYSNWHEDSA-N 2 1 292.389 3.427 20 0 CGADMP c1ccc2c(c1)SC[C@@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459564645 249157130 /nfs/dbraw/zinc/15/71/30/249157130.db2.gz IQZATFLWYKDQLT-ZDUSSCGKSA-N 2 1 288.460 3.092 20 0 CGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@H]1CCC[NH2+]C1 ZINC000469875718 249161044 /nfs/dbraw/zinc/16/10/44/249161044.db2.gz YCUHZKBKLMCJEO-INIZCTEOSA-N 2 1 282.431 3.314 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(C)c1OC(F)F ZINC000469865560 249161735 /nfs/dbraw/zinc/16/17/35/249161735.db2.gz VVYUSIPPZDMXNZ-OCCSQVGLSA-N 2 1 298.377 3.074 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000469997122 249165926 /nfs/dbraw/zinc/16/59/26/249165926.db2.gz VWASINHPWABCLN-SJLPKXTDSA-N 2 1 274.452 3.187 20 0 CGADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000469983909 249164220 /nfs/dbraw/zinc/16/42/20/249164220.db2.gz JLKHMPHBRIWHRJ-IAGOWNOFSA-N 2 1 272.436 3.092 20 0 CGADMP c1ccc2cc(CC[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000428047079 249131376 /nfs/dbraw/zinc/13/13/76/249131376.db2.gz XGPCFXWAVKQMMR-OALUTQOASA-N 2 1 280.415 3.066 20 0 CGADMP CC[C@H]1C[N@H+](CC(C)(C)N)CC[C@H]1c1ccccc1 ZINC000469987879 249164845 /nfs/dbraw/zinc/16/48/45/249164845.db2.gz XOUWPGFYOAQDTF-GOEBONIOSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@H]1C[N@@H+](CC(C)(C)N)CC[C@H]1c1ccccc1 ZINC000469987879 249164847 /nfs/dbraw/zinc/16/48/47/249164847.db2.gz XOUWPGFYOAQDTF-GOEBONIOSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000250584464 377562839 /nfs/dbraw/zinc/56/28/39/377562839.db2.gz WUOKBHYDZNKHLS-VVLHAWIVSA-N 2 1 294.483 3.043 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000470019522 249166329 /nfs/dbraw/zinc/16/63/29/249166329.db2.gz GCEHRBSZFTUAJS-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP CC[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470022101 249167002 /nfs/dbraw/zinc/16/70/02/249167002.db2.gz GUNHQJNNYMTVAR-OIISXLGYSA-N 2 1 258.409 3.007 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470022101 249167003 /nfs/dbraw/zinc/16/70/03/249167003.db2.gz GUNHQJNNYMTVAR-OIISXLGYSA-N 2 1 258.409 3.007 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000481294580 249170270 /nfs/dbraw/zinc/17/02/70/249170270.db2.gz LHTWEXJPYZUYCK-ZWKOTPCHSA-N 2 1 292.442 3.323 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000515087251 249201283 /nfs/dbraw/zinc/20/12/83/249201283.db2.gz GMHUJTNPHCHKHS-MAUKXSAKSA-N 2 1 274.452 3.254 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000515087251 249201284 /nfs/dbraw/zinc/20/12/84/249201284.db2.gz GMHUJTNPHCHKHS-MAUKXSAKSA-N 2 1 274.452 3.254 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000515593298 249216242 /nfs/dbraw/zinc/21/62/42/249216242.db2.gz YUCPFZHBDCUWLZ-IBGZPJMESA-N 2 1 286.463 3.249 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CCCCC1 ZINC000251197598 377576083 /nfs/dbraw/zinc/57/60/83/377576083.db2.gz UOLNWNYAKXBCLE-ARFHVFGLSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000251250802 377578038 /nfs/dbraw/zinc/57/80/38/377578038.db2.gz UMHICYOAQNAMRV-QTXGHNMQSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251599716 377591229 /nfs/dbraw/zinc/59/12/29/377591229.db2.gz YZUFKTITFLLNSR-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1nccn1C ZINC000341758512 377615659 /nfs/dbraw/zinc/61/56/59/377615659.db2.gz QFZCMCNWCVKSBV-JKSUJKDBSA-N 2 1 292.471 3.115 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252152373 377616199 /nfs/dbraw/zinc/61/61/99/377616199.db2.gz OTEIWHKOHMJWQG-FXUDXRNXSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252152373 377616208 /nfs/dbraw/zinc/61/62/08/377616208.db2.gz OTEIWHKOHMJWQG-FXUDXRNXSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC000252513284 377636271 /nfs/dbraw/zinc/63/62/71/377636271.db2.gz PIHXUNABCXDRDM-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC000252513284 377636279 /nfs/dbraw/zinc/63/62/79/377636279.db2.gz PIHXUNABCXDRDM-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1ncc(CN[C@@H](C)c2cc3ccccc3o2)n1C ZINC000574339275 377650330 /nfs/dbraw/zinc/65/03/30/377650330.db2.gz DFGABBHARIMTLP-NSHDSACASA-N 2 1 269.348 3.326 20 0 CGADMP CCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000252802370 377664852 /nfs/dbraw/zinc/66/48/52/377664852.db2.gz MMLZTDNCKQMIRO-KBXCAEBGSA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000252802370 377664865 /nfs/dbraw/zinc/66/48/65/377664865.db2.gz MMLZTDNCKQMIRO-KBXCAEBGSA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000252802370 377664871 /nfs/dbraw/zinc/66/48/71/377664871.db2.gz MMLZTDNCKQMIRO-KBXCAEBGSA-N 2 1 288.435 3.291 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252862731 377667086 /nfs/dbraw/zinc/66/70/86/377667086.db2.gz OGHFEZMYAMOYSY-SHPPOPEUSA-N 2 1 278.827 3.460 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000342575523 377669437 /nfs/dbraw/zinc/66/94/37/377669437.db2.gz KLHCGCPCUWUTJJ-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000342575523 377669446 /nfs/dbraw/zinc/66/94/46/377669446.db2.gz KLHCGCPCUWUTJJ-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000342575525 377669604 /nfs/dbraw/zinc/66/96/04/377669604.db2.gz KLHCGCPCUWUTJJ-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000342575525 377669608 /nfs/dbraw/zinc/66/96/08/377669608.db2.gz KLHCGCPCUWUTJJ-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCc2ccc(F)cc2Cl)CC1 ZINC000574247030 377638214 /nfs/dbraw/zinc/63/82/14/377638214.db2.gz VLLMXXNYAZXJTJ-OAHLLOKOSA-N 2 1 298.833 3.438 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2Cl)CC1 ZINC000574247030 377638222 /nfs/dbraw/zinc/63/82/22/377638222.db2.gz VLLMXXNYAZXJTJ-OAHLLOKOSA-N 2 1 298.833 3.438 20 0 CGADMP CC[C@H](C)[C@H](C)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000574924474 377725022 /nfs/dbraw/zinc/72/50/22/377725022.db2.gz PCXLBTBUXRBXRN-KBPBESRZSA-N 2 1 263.429 3.252 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000574924474 377725029 /nfs/dbraw/zinc/72/50/29/377725029.db2.gz PCXLBTBUXRBXRN-KBPBESRZSA-N 2 1 263.429 3.252 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(Cl)ccc1F ZINC000259961758 377806886 /nfs/dbraw/zinc/80/68/86/377806886.db2.gz HLHWHYZISCYCJK-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000261574747 377820770 /nfs/dbraw/zinc/82/07/70/377820770.db2.gz XPNOXJNJGWAFNA-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261573885 377821613 /nfs/dbraw/zinc/82/16/13/377821613.db2.gz AVHPQLNYWFIVQE-KRWDZBQOSA-N 2 1 260.425 3.056 20 0 CGADMP c1ccc2oc([C@@H]3CCCC[N@@H+]3CC3CC[NH2+]CC3)nc2c1 ZINC000261648456 377834515 /nfs/dbraw/zinc/83/45/15/377834515.db2.gz AXLMVPPZQUIHTC-INIZCTEOSA-N 2 1 299.418 3.354 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261648745 377834842 /nfs/dbraw/zinc/83/48/42/377834842.db2.gz QPJNHZZMMIOHNO-KBXCAEBGSA-N 2 1 270.420 3.138 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000261879772 377863414 /nfs/dbraw/zinc/86/34/14/377863414.db2.gz UNQRYKJPVUXKHK-SFHVURJKSA-N 2 1 288.435 3.179 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000261879772 377863418 /nfs/dbraw/zinc/86/34/18/377863418.db2.gz UNQRYKJPVUXKHK-SFHVURJKSA-N 2 1 288.435 3.179 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261911088 377867326 /nfs/dbraw/zinc/86/73/26/377867326.db2.gz YEFOQYKJPLSPQR-HZPDHXFCSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261911088 377867331 /nfs/dbraw/zinc/86/73/31/377867331.db2.gz YEFOQYKJPLSPQR-HZPDHXFCSA-N 2 1 278.827 3.477 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3cnccc32)C1 ZINC000183370564 542230547 /nfs/dbraw/zinc/23/05/47/542230547.db2.gz WEHDDBKFYZADNG-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183370564 542230549 /nfs/dbraw/zinc/23/05/49/542230549.db2.gz WEHDDBKFYZADNG-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183370564 542230551 /nfs/dbraw/zinc/23/05/51/542230551.db2.gz WEHDDBKFYZADNG-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183361769 542230887 /nfs/dbraw/zinc/23/08/87/542230887.db2.gz QEDHAIKKAGAHDZ-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)Cc1ccsc1 ZINC000262037096 377881474 /nfs/dbraw/zinc/88/14/74/377881474.db2.gz XVOFWQUSLQERTP-UKRRQHHQSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC12CCCCC2 ZINC000262039778 377883026 /nfs/dbraw/zinc/88/30/26/377883026.db2.gz PAPOYMNNBVYOCL-HOTGVXAUSA-N 2 1 264.457 3.278 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000262112381 377886118 /nfs/dbraw/zinc/88/61/18/377886118.db2.gz AZCAIBZMQGHJGF-UHFFFAOYSA-N 2 1 260.425 3.144 20 0 CGADMP Cc1ccc(C(C)(C)C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000262114055 377886465 /nfs/dbraw/zinc/88/64/65/377886465.db2.gz WTRYIAMFFJZCKF-GOSISDBHSA-N 2 1 274.452 3.204 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)c1C ZINC000261744274 377849723 /nfs/dbraw/zinc/84/97/23/377849723.db2.gz IZJBZTPEQKLLNX-ZWKOTPCHSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261781033 377853121 /nfs/dbraw/zinc/85/31/21/377853121.db2.gz PMUMLHFJZMULAC-IPELMVKDSA-N 2 1 280.415 3.422 20 0 CGADMP CCC[N@H+]1CC[C@H](CNCc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000263255743 377923227 /nfs/dbraw/zinc/92/32/27/377923227.db2.gz QPBHOBMPJKFRLW-IIAWOOMASA-N 2 1 276.424 3.225 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000263255743 377923230 /nfs/dbraw/zinc/92/32/30/377923230.db2.gz QPBHOBMPJKFRLW-IIAWOOMASA-N 2 1 276.424 3.225 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000263255743 377923232 /nfs/dbraw/zinc/92/32/32/377923232.db2.gz QPBHOBMPJKFRLW-IIAWOOMASA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[N@@H+]1CCCC[C@H]1C ZINC000343274134 377944110 /nfs/dbraw/zinc/94/41/10/377944110.db2.gz BZHMYRVOUUIOFP-OWCLPIDISA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[N@H+]1CCCC[C@H]1C ZINC000343274134 377944114 /nfs/dbraw/zinc/94/41/14/377944114.db2.gz BZHMYRVOUUIOFP-OWCLPIDISA-N 2 1 250.430 3.195 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000343100752 377902898 /nfs/dbraw/zinc/90/28/98/377902898.db2.gz GSBDMEAPDPVTNJ-SJCJKPOMSA-N 2 1 290.838 3.401 20 0 CGADMP c1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccnc2c1 ZINC000575400976 377904791 /nfs/dbraw/zinc/90/47/91/377904791.db2.gz AUONZZYZSPCHIW-CVEARBPZSA-N 2 1 295.430 3.056 20 0 CGADMP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575427694 377907527 /nfs/dbraw/zinc/90/75/27/377907527.db2.gz YRDLYRNJPVSOOC-CABCVRRESA-N 2 1 277.456 3.499 20 0 CGADMP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000575427694 377907533 /nfs/dbraw/zinc/90/75/33/377907533.db2.gz YRDLYRNJPVSOOC-CABCVRRESA-N 2 1 277.456 3.499 20 0 CGADMP Cc1ccoc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343586469 378028514 /nfs/dbraw/zinc/02/85/14/378028514.db2.gz DULSFFJXBCJOOD-GASCZTMLSA-N 2 1 278.440 3.436 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578533341 378078401 /nfs/dbraw/zinc/07/84/01/378078401.db2.gz AWMKNFGUDHVHPQ-ABCZVMIZSA-N 2 1 294.389 3.298 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c[nH]c2c1 ZINC000268807253 378116776 /nfs/dbraw/zinc/11/67/76/378116776.db2.gz LAVIILSIOVYCKQ-RVKKMQEKSA-N 2 1 299.462 3.337 20 0 CGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2sccc2C)CC1 ZINC000268814836 378118692 /nfs/dbraw/zinc/11/86/92/378118692.db2.gz FHMSCUZOGOPVQH-CQSZACIVSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c[nH]c2c1 ZINC000268817234 378120219 /nfs/dbraw/zinc/12/02/19/378120219.db2.gz NYXCCASNBIMNAD-GDBMZVCRSA-N 2 1 285.435 3.091 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(C)c1C ZINC000268835898 378127502 /nfs/dbraw/zinc/12/75/02/378127502.db2.gz ULMDQDSGGOHKRR-CQSZACIVSA-N 2 1 257.381 3.159 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000268869334 378136623 /nfs/dbraw/zinc/13/66/23/378136623.db2.gz FXLUMGCYEWCWED-NRSFXHEJSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000268869334 378136628 /nfs/dbraw/zinc/13/66/28/378136628.db2.gz FXLUMGCYEWCWED-NRSFXHEJSA-N 2 1 272.436 3.395 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000268920924 378153070 /nfs/dbraw/zinc/15/30/70/378153070.db2.gz UQKWSLOACRLQNS-QGZVFWFLSA-N 2 1 287.382 3.388 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccc(F)cc2)CC1 ZINC000269132980 378190852 /nfs/dbraw/zinc/19/08/52/378190852.db2.gz NMBCFWDBXRHSHP-SFHVURJKSA-N 2 1 288.410 3.399 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccc(F)cc2)CC1 ZINC000269132980 378190855 /nfs/dbraw/zinc/19/08/55/378190855.db2.gz NMBCFWDBXRHSHP-SFHVURJKSA-N 2 1 288.410 3.399 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000269132980 378190857 /nfs/dbraw/zinc/19/08/57/378190857.db2.gz NMBCFWDBXRHSHP-SFHVURJKSA-N 2 1 288.410 3.399 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000269132980 378190860 /nfs/dbraw/zinc/19/08/60/378190860.db2.gz NMBCFWDBXRHSHP-SFHVURJKSA-N 2 1 288.410 3.399 20 0 CGADMP C[N@@H+](CCCn1ccnc1)Cc1cc(-c2ccccc2)no1 ZINC000269185838 378194913 /nfs/dbraw/zinc/19/49/13/378194913.db2.gz LTAMKGMWLLKGQW-UHFFFAOYSA-N 2 1 296.374 3.060 20 0 CGADMP C[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000269267858 378201494 /nfs/dbraw/zinc/20/14/94/378201494.db2.gz CKFNOGKOLOSKHQ-UHFFFAOYSA-N 2 1 275.783 3.394 20 0 CGADMP CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000579887007 378204661 /nfs/dbraw/zinc/20/46/61/378204661.db2.gz KZBIRLPUDODAFX-OLZOCXBDSA-N 2 1 281.469 3.039 20 0 CGADMP CC[N@@H+](CCOc1c(C)cccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345210223 378223837 /nfs/dbraw/zinc/22/38/37/378223837.db2.gz QZXHDPQPBLUSLD-QGZVFWFLSA-N 2 1 290.451 3.146 20 0 CGADMP COC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000345182376 378216021 /nfs/dbraw/zinc/21/60/21/378216021.db2.gz VWYZGKVXIXDCEV-JKSUJKDBSA-N 2 1 290.451 3.186 20 0 CGADMP CC[N@H+]1C[C@H](C)N(c2ccnc3cc(F)ccc32)C[C@H]1C ZINC000345190221 378219170 /nfs/dbraw/zinc/21/91/70/378219170.db2.gz MNTOESAIVFVDRP-OLZOCXBDSA-N 2 1 287.382 3.293 20 0 CGADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3cc(F)ccc32)C[C@H]1C ZINC000345190221 378219176 /nfs/dbraw/zinc/21/91/76/378219176.db2.gz MNTOESAIVFVDRP-OLZOCXBDSA-N 2 1 287.382 3.293 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000344031279 378155635 /nfs/dbraw/zinc/15/56/35/378155635.db2.gz HFWHQXISVWDFNJ-FZKQIMNGSA-N 2 1 288.410 3.277 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000344404509 378168012 /nfs/dbraw/zinc/16/80/12/378168012.db2.gz FCJVXGSTKTZJBD-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000344404509 378168018 /nfs/dbraw/zinc/16/80/18/378168018.db2.gz FCJVXGSTKTZJBD-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1 ZINC000269065834 378182977 /nfs/dbraw/zinc/18/29/77/378182977.db2.gz YXLNJDRYJIEANZ-CYBMUJFWSA-N 2 1 276.399 3.493 20 0 CGADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[NH+]1CCC1 ZINC000581021841 378276580 /nfs/dbraw/zinc/27/65/80/378276580.db2.gz AWQTWHNTMOUSGR-WYMLVPIESA-N 2 1 278.827 3.429 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000270896123 378410711 /nfs/dbraw/zinc/41/07/11/378410711.db2.gz QBENOLFPMLMHQD-GFCCVEGCSA-N 2 1 259.353 3.010 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000270896123 378410714 /nfs/dbraw/zinc/41/07/14/378410714.db2.gz QBENOLFPMLMHQD-GFCCVEGCSA-N 2 1 259.353 3.010 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@H](C)C[NH+](C)C ZINC000584348012 378379158 /nfs/dbraw/zinc/37/91/58/378379158.db2.gz UBQOHSYVPLAQRS-LBPRGKRZSA-N 2 1 257.381 3.153 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCn1ccnc1C ZINC000270664092 378384210 /nfs/dbraw/zinc/38/42/10/378384210.db2.gz PNJWMLNTVKTTOI-KRWDZBQOSA-N 2 1 271.408 3.145 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+](C)CCn1cc[nH+]c1C ZINC000270664092 378384219 /nfs/dbraw/zinc/38/42/19/378384219.db2.gz PNJWMLNTVKTTOI-KRWDZBQOSA-N 2 1 271.408 3.145 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000270664092 378384226 /nfs/dbraw/zinc/38/42/26/378384226.db2.gz PNJWMLNTVKTTOI-KRWDZBQOSA-N 2 1 271.408 3.145 20 0 CGADMP Cc1nccn1CCC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000270668985 378384768 /nfs/dbraw/zinc/38/47/68/378384768.db2.gz RTLARYJYTPHLOE-PBHICJAKSA-N 2 1 269.392 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000270668985 378384781 /nfs/dbraw/zinc/38/47/81/378384781.db2.gz RTLARYJYTPHLOE-PBHICJAKSA-N 2 1 269.392 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1ccccc1 ZINC000270712063 378391816 /nfs/dbraw/zinc/39/18/16/378391816.db2.gz ZUYVQOKKYRFLSO-UHFFFAOYSA-N 2 1 257.381 3.107 20 0 CGADMP C[N@@H+](Cc1cnc2ccccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000271063813 378445162 /nfs/dbraw/zinc/44/51/62/378445162.db2.gz HQDAYGKLMNGXDH-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[N@H+](Cc1cnc2ccccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000271063813 378445170 /nfs/dbraw/zinc/44/51/70/378445170.db2.gz HQDAYGKLMNGXDH-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cnc2ccccc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000271063813 378445177 /nfs/dbraw/zinc/44/51/77/378445177.db2.gz HQDAYGKLMNGXDH-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cnc2ccccc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000271063813 378445185 /nfs/dbraw/zinc/44/51/85/378445185.db2.gz HQDAYGKLMNGXDH-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000346167902 378487955 /nfs/dbraw/zinc/48/79/55/378487955.db2.gz HDBQBIOMJNKPEV-HIFRSBDPSA-N 2 1 284.407 3.196 20 0 CGADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271877034 378510297 /nfs/dbraw/zinc/51/02/97/378510297.db2.gz OLKCHMNXNQCKPD-LJQANCHMSA-N 2 1 286.463 3.495 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000346319529 378541179 /nfs/dbraw/zinc/54/11/79/378541179.db2.gz YIDXHRUJVHWUJB-QGZVFWFLSA-N 2 1 269.392 3.033 20 0 CGADMP C[C@H]([NH2+]Cc1cc[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134339 378569991 /nfs/dbraw/zinc/56/99/91/378569991.db2.gz AAXHNMYZLOSNDT-YJBOKZPZSA-N 2 1 283.419 3.015 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000346505286 378598825 /nfs/dbraw/zinc/59/88/25/378598825.db2.gz XRPYMOINOFTTED-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccns2)CC1 ZINC000637904229 378623182 /nfs/dbraw/zinc/62/31/82/378623182.db2.gz COROXSBOPBTKPZ-UHFFFAOYSA-N 2 1 281.469 3.087 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000346629600 378653325 /nfs/dbraw/zinc/65/33/25/378653325.db2.gz BHEXDOJJOBXAAD-GJZGRUSLSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000346668426 378669552 /nfs/dbraw/zinc/66/95/52/378669552.db2.gz IMXLGTCNYQAHOA-STQMWFEESA-N 2 1 288.366 3.255 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H](C)C2 ZINC000272587518 378672163 /nfs/dbraw/zinc/67/21/63/378672163.db2.gz HKSPYOXXRYIBJL-KSSFIOAISA-N 2 1 270.420 3.080 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000346680817 378672701 /nfs/dbraw/zinc/67/27/01/378672701.db2.gz MTBPUVMOJYHVCY-GOEBONIOSA-N 2 1 276.424 3.035 20 0 CGADMP C(C[C@@H]1CCO1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638022652 378672984 /nfs/dbraw/zinc/67/29/84/378672984.db2.gz KFGQNLTUXRNLOE-ZWKOTPCHSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000346692924 378676396 /nfs/dbraw/zinc/67/63/96/378676396.db2.gz JSPRTENFQCZPEP-HOCLYGCPSA-N 2 1 288.435 3.177 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000347000714 378704220 /nfs/dbraw/zinc/70/42/20/378704220.db2.gz ZVWFTIRTNGBARU-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC(C)(C)Oc2ccccc2)CC[N@@H+]1C ZINC000638117267 378705717 /nfs/dbraw/zinc/70/57/17/378705717.db2.gz PWWFLYZRAYPHJS-HZPDHXFCSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC(C)(C)Oc2ccccc2)CC[N@H+]1C ZINC000638117267 378705720 /nfs/dbraw/zinc/70/57/20/378705720.db2.gz PWWFLYZRAYPHJS-HZPDHXFCSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CC(C)(C)Oc2ccccc2)CC[NH+]1C ZINC000638117267 378705723 /nfs/dbraw/zinc/70/57/23/378705723.db2.gz PWWFLYZRAYPHJS-HZPDHXFCSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CC(C)(C)Oc2ccccc2)CC[NH+]1C ZINC000638117267 378705725 /nfs/dbraw/zinc/70/57/25/378705725.db2.gz PWWFLYZRAYPHJS-HZPDHXFCSA-N 2 1 290.451 3.259 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133959 378713835 /nfs/dbraw/zinc/71/38/35/378713835.db2.gz MBEIVSOWFYUKNB-MRXNPFEDSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133959 378713840 /nfs/dbraw/zinc/71/38/40/378713840.db2.gz MBEIVSOWFYUKNB-MRXNPFEDSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133959 378713845 /nfs/dbraw/zinc/71/38/45/378713845.db2.gz MBEIVSOWFYUKNB-MRXNPFEDSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CCC2CCOCC2)C1 ZINC000638371593 378782337 /nfs/dbraw/zinc/78/23/37/378782337.db2.gz SFQXHLJYSXBWOH-CALCHBBNSA-N 2 1 296.499 3.151 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2CCSCC2)C1 ZINC000638372232 378782619 /nfs/dbraw/zinc/78/26/19/378782619.db2.gz VWDIXYKJBXTWES-IYBDPMFKSA-N 2 1 298.540 3.477 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC000348104654 378795577 /nfs/dbraw/zinc/79/55/77/378795577.db2.gz CHKUGYCGZULUFS-JSGCOSHPSA-N 2 1 250.386 3.031 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC000348104654 378795580 /nfs/dbraw/zinc/79/55/80/378795580.db2.gz CHKUGYCGZULUFS-JSGCOSHPSA-N 2 1 250.386 3.031 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000638443526 378804595 /nfs/dbraw/zinc/80/45/95/378804595.db2.gz NKZUAEFBEDIHPA-IAGOWNOFSA-N 2 1 294.483 3.212 20 0 CGADMP CCSc1cccc(C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000274383524 378823653 /nfs/dbraw/zinc/82/36/53/378823653.db2.gz AUMCSFYIJGTDIF-UHFFFAOYSA-N 2 1 275.421 3.093 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638596034 378845041 /nfs/dbraw/zinc/84/50/41/378845041.db2.gz DCNMOXLXSTWPBZ-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP COc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000638566698 378837914 /nfs/dbraw/zinc/83/79/14/378837914.db2.gz NGTXQFUDRCRPCI-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP COc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000638566698 378837918 /nfs/dbraw/zinc/83/79/18/378837918.db2.gz NGTXQFUDRCRPCI-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP c1ccc(CC2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000346904462 218055404 /nfs/dbraw/zinc/05/54/04/218055404.db2.gz LVVASDQMHIXZMY-MSOLQXFVSA-N 2 1 284.447 3.368 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000348341803 378919215 /nfs/dbraw/zinc/91/92/15/378919215.db2.gz RUFLPIIQDFFMCK-IRXDYDNUSA-N 2 1 272.436 3.254 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000276652289 378974714 /nfs/dbraw/zinc/97/47/14/378974714.db2.gz MPHUWQYMTXYNPJ-HNNXBMFYSA-N 2 1 277.799 3.357 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Cl)c1 ZINC000275217118 378950812 /nfs/dbraw/zinc/95/08/12/378950812.db2.gz BYXQQUHBUMIMSP-WFASDCNBSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Cl)c1 ZINC000275217118 378950816 /nfs/dbraw/zinc/95/08/16/378950816.db2.gz BYXQQUHBUMIMSP-WFASDCNBSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Cl)c1 ZINC000275217118 378950818 /nfs/dbraw/zinc/95/08/18/378950818.db2.gz BYXQQUHBUMIMSP-WFASDCNBSA-N 2 1 266.816 3.112 20 0 CGADMP Cc1cnc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000348500748 378970518 /nfs/dbraw/zinc/97/05/18/378970518.db2.gz XHJSLKBPYUVMQI-LBPRGKRZSA-N 2 1 278.425 3.087 20 0 CGADMP CCC[N@@H+](C/C=C/c1ccccc1OC)C1CC[NH2+]CC1 ZINC000347085929 218116991 /nfs/dbraw/zinc/11/69/91/218116991.db2.gz BHMPUSKAMYWRGM-SOFGYWHQSA-N 2 1 288.435 3.172 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000276698672 378982167 /nfs/dbraw/zinc/98/21/67/378982167.db2.gz UAGJZJMLQZANIV-NSHDSACASA-N 2 1 283.828 3.418 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000347151377 218139178 /nfs/dbraw/zinc/13/91/78/218139178.db2.gz AWDFKJDXQBUBFD-OAHLLOKOSA-N 2 1 288.435 3.179 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000347151377 218139180 /nfs/dbraw/zinc/13/91/80/218139180.db2.gz AWDFKJDXQBUBFD-OAHLLOKOSA-N 2 1 288.435 3.179 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347211864 218156648 /nfs/dbraw/zinc/15/66/48/218156648.db2.gz PGZXLDTVHXUKPB-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347183352 218148890 /nfs/dbraw/zinc/14/88/90/218148890.db2.gz WPEZQXOAYSCLQT-INIZCTEOSA-N 2 1 288.435 3.049 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347183352 218148892 /nfs/dbraw/zinc/14/88/92/218148892.db2.gz WPEZQXOAYSCLQT-INIZCTEOSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000370675963 379052245 /nfs/dbraw/zinc/05/22/45/379052245.db2.gz HBAIHRZRXNYXSD-QGZVFWFLSA-N 2 1 299.418 3.394 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1C[C@@H]1C ZINC000348971242 379126116 /nfs/dbraw/zinc/12/61/16/379126116.db2.gz XYGDHRIEJJZBGB-YOEHRIQHSA-N 2 1 260.425 3.226 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000278866470 194189000 /nfs/dbraw/zinc/18/90/00/194189000.db2.gz MLTDCLQVFYOOBZ-CYBMUJFWSA-N 2 1 298.833 3.343 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](CCc2ccccc2)CC1 ZINC000639375255 379331657 /nfs/dbraw/zinc/33/16/57/379331657.db2.gz SHXHQAOHPPJSRU-UHFFFAOYSA-N 2 1 272.436 3.179 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000278323950 379348203 /nfs/dbraw/zinc/34/82/03/379348203.db2.gz VMNZICGZCCPDDQ-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000278323950 379348210 /nfs/dbraw/zinc/34/82/10/379348210.db2.gz VMNZICGZCCPDDQ-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278926374 194216304 /nfs/dbraw/zinc/21/63/04/194216304.db2.gz IMFZGBXENDOINR-CVEARBPZSA-N 2 1 283.419 3.413 20 0 CGADMP CC1=C(c2ccco2)CN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000374511560 379449814 /nfs/dbraw/zinc/44/98/14/379449814.db2.gz CGRZQNBTLUYKKN-OAHLLOKOSA-N 2 1 274.408 3.243 20 0 CGADMP CC1=C(c2ccco2)C[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000374511560 379449824 /nfs/dbraw/zinc/44/98/24/379449824.db2.gz CGRZQNBTLUYKKN-OAHLLOKOSA-N 2 1 274.408 3.243 20 0 CGADMP CC1=C(c2ccco2)C[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000374511560 379449841 /nfs/dbraw/zinc/44/98/41/379449841.db2.gz CGRZQNBTLUYKKN-OAHLLOKOSA-N 2 1 274.408 3.243 20 0 CGADMP CC1=C(c2ccco2)C[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000374511560 379449849 /nfs/dbraw/zinc/44/98/49/379449849.db2.gz CGRZQNBTLUYKKN-OAHLLOKOSA-N 2 1 274.408 3.243 20 0 CGADMP CC1=C(c2ccco2)C[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000374511560 379449864 /nfs/dbraw/zinc/44/98/64/379449864.db2.gz CGRZQNBTLUYKKN-OAHLLOKOSA-N 2 1 274.408 3.243 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000349933596 379451655 /nfs/dbraw/zinc/45/16/55/379451655.db2.gz LLLGLEHVOCYVMZ-DNKSCHSHSA-N 2 1 292.373 3.194 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278988595 194242772 /nfs/dbraw/zinc/24/27/72/194242772.db2.gz PUWUBUFZDMFWCB-JKSUJKDBSA-N 2 1 283.419 3.413 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CC1CCCCC1)CC2 ZINC000374977251 379481668 /nfs/dbraw/zinc/48/16/68/379481668.db2.gz HUSZLWFWGYZLGH-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CC1CCCCC1)CC2 ZINC000374977251 379481678 /nfs/dbraw/zinc/48/16/78/379481678.db2.gz HUSZLWFWGYZLGH-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(C)n1 ZINC000639674761 379541736 /nfs/dbraw/zinc/54/17/36/379541736.db2.gz PSMNTEUTRGZVSR-HKUYNNGSSA-N 2 1 296.414 3.315 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681671 379545871 /nfs/dbraw/zinc/54/58/71/379545871.db2.gz AIGCRETVTUDYFR-HNNXBMFYSA-N 2 1 299.393 3.494 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376558590 379579625 /nfs/dbraw/zinc/57/96/25/379579625.db2.gz PCQMCVPPJSPSTE-QAPCUYQASA-N 2 1 298.434 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376558590 379579630 /nfs/dbraw/zinc/57/96/30/379579630.db2.gz PCQMCVPPJSPSTE-QAPCUYQASA-N 2 1 298.434 3.450 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757082 379569631 /nfs/dbraw/zinc/56/96/31/379569631.db2.gz DHEOZKLEKXJSEB-CYBMUJFWSA-N 2 1 294.389 3.444 20 0 CGADMP C(=C/C[N@H+]1CCC[C@@H]1C1CC1)\C[NH+]1CCC[C@H]1C1CC1 ZINC000377540519 379692724 /nfs/dbraw/zinc/69/27/24/379692724.db2.gz ADYGRMWFTGBPEC-KVHJKKSTSA-N 2 1 274.452 3.291 20 0 CGADMP C(=C/C[N@@H+]1CCC[C@H]1C1CC1)\C[NH+]1CCC[C@@H]1C1CC1 ZINC000377540519 379692733 /nfs/dbraw/zinc/69/27/33/379692733.db2.gz ADYGRMWFTGBPEC-KVHJKKSTSA-N 2 1 274.452 3.291 20 0 CGADMP C(=C/C[N@H+]1CCC[C@H]1C1CC1)\C[NH+]1CCC[C@@H]1C1CC1 ZINC000377540519 379692739 /nfs/dbraw/zinc/69/27/39/379692739.db2.gz ADYGRMWFTGBPEC-KVHJKKSTSA-N 2 1 274.452 3.291 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000267208553 190312031 /nfs/dbraw/zinc/31/20/31/190312031.db2.gz BFUDLRNPCVTBCJ-APWZRJJASA-N 2 1 297.446 3.025 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](C2CC(OC(C)C)C2)CC1 ZINC000639987224 379677368 /nfs/dbraw/zinc/67/73/68/379677368.db2.gz ZDAPYMMZLBXXRB-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC[N@@H+]1C ZINC000280792092 379791827 /nfs/dbraw/zinc/79/18/27/379791827.db2.gz JRWGSZKKUMGLIB-AJNGGQMLSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC[N@H+]1C ZINC000280792092 379791836 /nfs/dbraw/zinc/79/18/36/379791836.db2.gz JRWGSZKKUMGLIB-AJNGGQMLSA-N 2 1 276.399 3.144 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000267366288 190324475 /nfs/dbraw/zinc/32/44/75/190324475.db2.gz IYCLEWSVPKSWFI-GHMZBOCLSA-N 2 1 253.777 3.020 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000352534855 379847417 /nfs/dbraw/zinc/84/74/17/379847417.db2.gz JVSRJYOBCNQWQI-YOEHRIQHSA-N 2 1 276.399 3.005 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000381339275 379866612 /nfs/dbraw/zinc/86/66/12/379866612.db2.gz DVDRXYRRXLWLLJ-NWANDNLSSA-N 2 1 264.438 3.334 20 0 CGADMP Cc1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640530322 379819073 /nfs/dbraw/zinc/81/90/73/379819073.db2.gz BMUCKPVQBVZGSE-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP Cc1nc(C)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000640533981 379819885 /nfs/dbraw/zinc/81/98/85/379819885.db2.gz YSFIUNHGUQKIHO-UHFFFAOYSA-N 2 1 295.496 3.458 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000392277055 379910529 /nfs/dbraw/zinc/91/05/29/379910529.db2.gz CWOHEDRSUULQHR-LLVKDONJSA-N 2 1 282.790 3.392 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000388461226 379887831 /nfs/dbraw/zinc/88/78/31/379887831.db2.gz BCSRYLBKXNYHLV-ULQDDVLXSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000388461226 379887833 /nfs/dbraw/zinc/88/78/33/379887833.db2.gz BCSRYLBKXNYHLV-ULQDDVLXSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000402536638 379967260 /nfs/dbraw/zinc/96/72/60/379967260.db2.gz YHXOSPPTYWPIRC-XQQFMLRXSA-N 2 1 278.362 3.181 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000401727180 379959610 /nfs/dbraw/zinc/95/96/10/379959610.db2.gz MHTSDACGEJBUDX-AWEZNQCLSA-N 2 1 297.324 3.246 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401754089 379959689 /nfs/dbraw/zinc/95/96/89/379959689.db2.gz PUQMOQUBRIARMT-GFCCVEGCSA-N 2 1 275.421 3.035 20 0 CGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000282888637 380007550 /nfs/dbraw/zinc/00/75/50/380007550.db2.gz DFQHBXRPNLFXHZ-GOSISDBHSA-N 2 1 297.446 3.405 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000282888637 380007556 /nfs/dbraw/zinc/00/75/56/380007556.db2.gz DFQHBXRPNLFXHZ-GOSISDBHSA-N 2 1 297.446 3.405 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510548 380013577 /nfs/dbraw/zinc/01/35/77/380013577.db2.gz SIVIROZLUZENEK-JONQDZQNSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510549 380015090 /nfs/dbraw/zinc/01/50/90/380015090.db2.gz SIVIROZLUZENEK-QXSJWSMHSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CCCCOC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352923437 380040194 /nfs/dbraw/zinc/04/01/94/380040194.db2.gz GWRIGMYDYYHWLC-XYPWUTKMSA-N 2 1 282.472 3.139 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641790250 380100543 /nfs/dbraw/zinc/10/05/43/380100543.db2.gz VWBPLZDOAUSZMS-CRAIPNDOSA-N 2 1 272.436 3.459 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000353099463 380114170 /nfs/dbraw/zinc/11/41/70/380114170.db2.gz XHLKRHFXUROFMP-PVAVHDDUSA-N 2 1 260.425 3.108 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000353099463 380114175 /nfs/dbraw/zinc/11/41/75/380114175.db2.gz XHLKRHFXUROFMP-PVAVHDDUSA-N 2 1 260.425 3.108 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000414195354 380202130 /nfs/dbraw/zinc/20/21/30/380202130.db2.gz UTZWZGBPVIKNHN-KSSFIOAISA-N 2 1 288.435 3.091 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)CC(F)(F)F ZINC000414251774 380203407 /nfs/dbraw/zinc/20/34/07/380203407.db2.gz IKSOOZZDBZNJQJ-DGAVXFQQSA-N 2 1 292.389 3.427 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414299433 380209809 /nfs/dbraw/zinc/20/98/09/380209809.db2.gz JSCXCBWDJFPZKQ-CBBWQLFWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414299433 380209813 /nfs/dbraw/zinc/20/98/13/380209813.db2.gz JSCXCBWDJFPZKQ-CBBWQLFWSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@H]2CCC[C@H]21 ZINC000353503363 380210621 /nfs/dbraw/zinc/21/06/21/380210621.db2.gz ORYDMYPUERHCNI-NZSAHSFTSA-N 2 1 295.430 3.197 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353497568 380211155 /nfs/dbraw/zinc/21/11/55/380211155.db2.gz PLMDGDUVGRTOQN-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1C(C)(C)C1(C)C ZINC000353928774 380240945 /nfs/dbraw/zinc/24/09/45/380240945.db2.gz LNCLLZVBZRYTSX-MELADBBJSA-N 2 1 264.457 3.274 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)c1 ZINC000643501629 380323337 /nfs/dbraw/zinc/32/33/37/380323337.db2.gz MRIKQLRHOCNYOI-QZTJIDSGSA-N 2 1 272.436 3.048 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000643521734 380337460 /nfs/dbraw/zinc/33/74/60/380337460.db2.gz AKCSUZOYEFSBEE-HIFRSBDPSA-N 2 1 269.392 3.028 20 0 CGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(C2CC2)C1 ZINC000643345696 380286855 /nfs/dbraw/zinc/28/68/55/380286855.db2.gz GRFPXKMJCOEPMF-UHFFFAOYSA-N 2 1 286.463 3.486 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(C2CC2)C1 ZINC000643345696 380286860 /nfs/dbraw/zinc/28/68/60/380286860.db2.gz GRFPXKMJCOEPMF-UHFFFAOYSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000414672443 380363562 /nfs/dbraw/zinc/36/35/62/380363562.db2.gz PELYMKPUNYBCTA-JSGCOSHPSA-N 2 1 298.377 3.108 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])Cc1ccc(Br)cc1 ZINC000414678362 380367466 /nfs/dbraw/zinc/36/74/66/380367466.db2.gz QJSRGQKPNYDLDG-UHFFFAOYSA-N 2 1 285.229 3.008 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414690363 380376173 /nfs/dbraw/zinc/37/61/73/380376173.db2.gz AMJMXKZAZBXZJH-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000414690344 380376188 /nfs/dbraw/zinc/37/61/88/380376188.db2.gz AIIBDRXDRQKDQP-WMZOPIPTSA-N 2 1 289.467 3.263 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000414690344 380376191 /nfs/dbraw/zinc/37/61/91/380376191.db2.gz AIIBDRXDRQKDQP-WMZOPIPTSA-N 2 1 289.467 3.263 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000414715285 380385379 /nfs/dbraw/zinc/38/53/79/380385379.db2.gz MUPVPUWKXWQVLT-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCCC23CCCCC3)CC[NH2+]1 ZINC000414736970 380389137 /nfs/dbraw/zinc/38/91/37/380389137.db2.gz GYACSVIHVTWQNO-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@H+](Cc1cc(-c2ccccc2)cs1)C1CC([NH3+])C1 ZINC000414767771 380397177 /nfs/dbraw/zinc/39/71/77/380397177.db2.gz GUNKNUXELFWCGR-UHFFFAOYSA-N 2 1 272.417 3.337 20 0 CGADMP C[N@@H+](Cc1cc(-c2ccccc2)cs1)C1CC([NH3+])C1 ZINC000414767771 380397182 /nfs/dbraw/zinc/39/71/82/380397182.db2.gz GUNKNUXELFWCGR-UHFFFAOYSA-N 2 1 272.417 3.337 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414751244 380393322 /nfs/dbraw/zinc/39/33/22/380393322.db2.gz IIVVXZSDZXMBEH-HZPDHXFCSA-N 2 1 260.425 3.123 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)Cc1ccsc1 ZINC000414760863 380394398 /nfs/dbraw/zinc/39/43/98/380394398.db2.gz RQDVOXOFRHIWHW-RRFJBIMHSA-N 2 1 280.481 3.389 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(C)s1 ZINC000643523753 380339199 /nfs/dbraw/zinc/33/91/99/380339199.db2.gz PCJQJXNVAFSCFH-SNVBAGLBSA-N 2 1 287.432 3.214 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414758734 380394462 /nfs/dbraw/zinc/39/44/62/380394462.db2.gz NEYQWHZIIIEETL-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000643526687 380343040 /nfs/dbraw/zinc/34/30/40/380343040.db2.gz DRZWMJMQJSCSRL-SUMWQHHRSA-N 2 1 272.367 3.046 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000643528104 380344753 /nfs/dbraw/zinc/34/47/53/380344753.db2.gz ZOOWOXZWICIIQO-GXFFZTMASA-N 2 1 274.330 3.339 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000643528732 380344812 /nfs/dbraw/zinc/34/48/12/380344812.db2.gz NQBDNLMOFSSNQK-ZJUUUORDSA-N 2 1 292.370 3.339 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643529365 380346766 /nfs/dbraw/zinc/34/67/66/380346766.db2.gz YYHGLDLDDGROSQ-MFKMUULPSA-N 2 1 274.330 3.339 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3coc4ccccc34)C2)C1 ZINC000354167291 380351871 /nfs/dbraw/zinc/35/18/71/380351871.db2.gz OZESUISKOLXIRH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3coc4ccccc34)C2)C1 ZINC000354167291 380351875 /nfs/dbraw/zinc/35/18/75/380351875.db2.gz OZESUISKOLXIRH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3coc4ccccc34)C2)C1 ZINC000354167291 380351885 /nfs/dbraw/zinc/35/18/85/380351885.db2.gz OZESUISKOLXIRH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)c(F)c(F)c1 ZINC000643545827 380357308 /nfs/dbraw/zinc/35/73/08/380357308.db2.gz CQXGVDZGHAPCCE-ZYHUDNBSSA-N 2 1 298.352 3.429 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cn1 ZINC000643547297 380360912 /nfs/dbraw/zinc/36/09/12/380360912.db2.gz CMUHLQAEXDJBPP-GOEBONIOSA-N 2 1 291.414 3.182 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1F ZINC000643547317 380361346 /nfs/dbraw/zinc/36/13/46/380361346.db2.gz CTZBJKXEVFIOMY-JSGCOSHPSA-N 2 1 292.398 3.160 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000414670773 380362273 /nfs/dbraw/zinc/36/22/73/380362273.db2.gz MSIVUZQVONDJQX-OZVIIMIRSA-N 2 1 296.817 3.347 20 0 CGADMP Cc1cc(F)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000414670773 380362279 /nfs/dbraw/zinc/36/22/79/380362279.db2.gz MSIVUZQVONDJQX-OZVIIMIRSA-N 2 1 296.817 3.347 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000414855589 380457437 /nfs/dbraw/zinc/45/74/37/380457437.db2.gz XDZQXPVJDKLNNQ-DOTOQJQBSA-N 2 1 262.441 3.279 20 0 CGADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1SC ZINC000414834310 380441454 /nfs/dbraw/zinc/44/14/54/380441454.db2.gz BOHKOIMJPXEHPS-UHFFFAOYSA-N 2 1 294.464 3.168 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414835172 380443478 /nfs/dbraw/zinc/44/34/78/380443478.db2.gz HFIORCYOFVDIMD-HNNXBMFYSA-N 2 1 291.826 3.351 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414837395 380443897 /nfs/dbraw/zinc/44/38/97/380443897.db2.gz HEQIAJLCYJJKKL-UHFFFAOYSA-N 2 1 276.424 3.225 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414836668 380444449 /nfs/dbraw/zinc/44/44/49/380444449.db2.gz ITEVNHMBVQDLOH-KRWDZBQOSA-N 2 1 283.419 3.212 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000414837761 380445632 /nfs/dbraw/zinc/44/56/32/380445632.db2.gz JWQGOTSXADYGKW-CYBMUJFWSA-N 2 1 274.330 3.168 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)C1CCCCC1 ZINC000414851852 380454477 /nfs/dbraw/zinc/45/44/77/380454477.db2.gz PWZYDVQNXDBGDY-DANOYGIBSA-N 2 1 294.389 3.475 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414776279 380398990 /nfs/dbraw/zinc/39/89/90/380398990.db2.gz GWYABFDHTYGACH-SJORKVTESA-N 2 1 272.436 3.125 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781923 380403011 /nfs/dbraw/zinc/40/30/11/380403011.db2.gz NSWWPCSHGJWUEW-RTBURBONSA-N 2 1 284.447 3.386 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCCOc1ccccc1)C1CCCCC1 ZINC000414853106 380455780 /nfs/dbraw/zinc/45/57/80/380455780.db2.gz RULKHMBZPNGUQU-SFHVURJKSA-N 2 1 290.451 3.343 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1C(F)(F)F ZINC000414789128 380404846 /nfs/dbraw/zinc/40/48/46/380404846.db2.gz FBGHGTPHDSAWBW-CYBMUJFWSA-N 2 1 274.330 3.087 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414788264 380405021 /nfs/dbraw/zinc/40/50/21/380405021.db2.gz WMUCMYUVUWLKBN-AEFFLSMTSA-N 2 1 272.436 3.125 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789647 380406913 /nfs/dbraw/zinc/40/69/13/380406913.db2.gz YJSWMRGGIVTAAA-ZIAGYGMSSA-N 2 1 278.827 3.162 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCCC(F)(F)F ZINC000414805290 380418686 /nfs/dbraw/zinc/41/86/86/380418686.db2.gz AKTJDJMTJBERCU-GHMZBOCLSA-N 2 1 254.340 3.215 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1SC ZINC000414807801 380420849 /nfs/dbraw/zinc/42/08/49/380420849.db2.gz DEOZCMRYMXHMMD-ZFWWWQNUSA-N 2 1 280.481 3.447 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414810544 380421802 /nfs/dbraw/zinc/42/18/02/380421802.db2.gz XPLMXSDCWRPVRJ-UHFFFAOYSA-N 2 1 294.345 3.268 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414932077 380493967 /nfs/dbraw/zinc/49/39/67/380493967.db2.gz SGCLYFGOPBTNGX-GHMZBOCLSA-N 2 1 266.351 3.085 20 0 CGADMP Cc1ccc(COc2ccc(C[NH2+][C@@H](C)C[NH3+])cc2)cc1 ZINC000414939449 380497582 /nfs/dbraw/zinc/49/75/82/380497582.db2.gz GEQSVRLBQXALKH-HNNXBMFYSA-N 2 1 284.403 3.011 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414948863 380502627 /nfs/dbraw/zinc/50/26/27/380502627.db2.gz YJZDGWJATFZASG-BPNCWPANSA-N 2 1 286.341 3.278 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415130988 380509462 /nfs/dbraw/zinc/50/94/62/380509462.db2.gz YGJRYTPREZFDOC-IRXDYDNUSA-N 2 1 260.425 3.038 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414867395 380465148 /nfs/dbraw/zinc/46/51/48/380465148.db2.gz ODFIKSHSKVHCKZ-KURKYZTESA-N 2 1 272.436 3.445 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866228 380465615 /nfs/dbraw/zinc/46/56/15/380465615.db2.gz MQWHOCCJGIYFPY-QWRGUYRKSA-N 2 1 272.845 3.064 20 0 CGADMP CCC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000414877021 380470024 /nfs/dbraw/zinc/47/00/24/380470024.db2.gz FFXYAPFEHZYIFK-WBAXXEDZSA-N 2 1 290.451 3.167 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414877267 380470344 /nfs/dbraw/zinc/47/03/44/380470344.db2.gz LVTQUEXKBSOJMF-LJQANCHMSA-N 2 1 297.446 3.172 20 0 CGADMP CCCc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414878967 380471863 /nfs/dbraw/zinc/47/18/63/380471863.db2.gz ODCVNKMGZYFBOZ-UHFFFAOYSA-N 2 1 297.446 3.304 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414882488 380473725 /nfs/dbraw/zinc/47/37/25/380473725.db2.gz MPLPTUUREAEZJQ-CHWSQXEVSA-N 2 1 287.234 3.266 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCOC(C)(C)C)[C@H](C)C1 ZINC000354685325 380527614 /nfs/dbraw/zinc/52/76/14/380527614.db2.gz YYBQXIJPVMNGHM-CVEARBPZSA-N 2 1 284.488 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCOC(C)(C)C)[C@H](C)C1 ZINC000354685325 380527619 /nfs/dbraw/zinc/52/76/19/380527619.db2.gz YYBQXIJPVMNGHM-CVEARBPZSA-N 2 1 284.488 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCOC(C)(C)C)[C@H](C)C1 ZINC000354685325 380527626 /nfs/dbraw/zinc/52/76/26/380527626.db2.gz YYBQXIJPVMNGHM-CVEARBPZSA-N 2 1 284.488 3.244 20 0 CGADMP C[C@@H](CC[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC000355330406 380645092 /nfs/dbraw/zinc/64/50/92/380645092.db2.gz XAPCQFARXLZIGB-HNNXBMFYSA-N 2 1 283.419 3.431 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645187726 380609943 /nfs/dbraw/zinc/60/99/43/380609943.db2.gz CADVGFLMGULUHD-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645187726 380609952 /nfs/dbraw/zinc/60/99/52/380609952.db2.gz CADVGFLMGULUHD-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000645187726 380609956 /nfs/dbraw/zinc/60/99/56/380609956.db2.gz CADVGFLMGULUHD-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2=CCCC2)CC1 ZINC000645843470 380749426 /nfs/dbraw/zinc/74/94/26/380749426.db2.gz UEMSKXJPVGFOFY-UHFFFAOYSA-N 2 1 294.483 3.167 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421335123 380880764 /nfs/dbraw/zinc/88/07/64/380880764.db2.gz RWDQCGQVAFACNO-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420321058 380847328 /nfs/dbraw/zinc/84/73/28/380847328.db2.gz CFMSHRCVPVNAQN-UAGQMJEPSA-N 2 1 288.435 3.078 20 0 CGADMP C1C([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC12CCCCC2 ZINC000421334103 380879273 /nfs/dbraw/zinc/87/92/73/380879273.db2.gz PILYYDTVOYTYBI-ZBFHGGJFSA-N 2 1 262.441 3.316 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357104027 381030754 /nfs/dbraw/zinc/03/07/54/381030754.db2.gz KVIWEEFEEDOBNA-UONOGXRCSA-N 2 1 284.403 3.037 20 0 CGADMP CC(C)C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000211940470 542284876 /nfs/dbraw/zinc/28/48/76/542284876.db2.gz QJFDRKOIRYFAHX-UHFFFAOYSA-N 2 1 260.425 3.199 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000359994332 381402536 /nfs/dbraw/zinc/40/25/36/381402536.db2.gz MOYDCVGNYKLMSH-QZWWFDLISA-N 2 1 264.457 3.419 20 0 CGADMP Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000360214331 381481046 /nfs/dbraw/zinc/48/10/46/381481046.db2.gz VMIYIAAVFWLHFT-BPUTZDHNSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000360214331 381481049 /nfs/dbraw/zinc/48/10/49/381481049.db2.gz VMIYIAAVFWLHFT-BPUTZDHNSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000360214331 381481052 /nfs/dbraw/zinc/48/10/52/381481052.db2.gz VMIYIAAVFWLHFT-BPUTZDHNSA-N 2 1 261.413 3.092 20 0 CGADMP CC(C)(C[NH2+]Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000360164831 381465048 /nfs/dbraw/zinc/46/50/48/381465048.db2.gz IVMALKFTBJQPKG-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCCCC3)CC[NH2+]2)cc1 ZINC000334843494 207175304 /nfs/dbraw/zinc/17/53/04/207175304.db2.gz QKLUFFGQKVTWCM-SJORKVTESA-N 2 1 258.409 3.402 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000334862279 207206595 /nfs/dbraw/zinc/20/65/95/207206595.db2.gz JTBDSZNMWNQSEW-MWLCHTKSSA-N 2 1 273.207 3.224 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969463 381634542 /nfs/dbraw/zinc/63/45/42/381634542.db2.gz GYIMYEDBAYQDOJ-CVEARBPZSA-N 2 1 278.465 3.097 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969463 381634554 /nfs/dbraw/zinc/63/45/54/381634554.db2.gz GYIMYEDBAYQDOJ-CVEARBPZSA-N 2 1 278.465 3.097 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969463 381634560 /nfs/dbraw/zinc/63/45/60/381634560.db2.gz GYIMYEDBAYQDOJ-CVEARBPZSA-N 2 1 278.465 3.097 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccsc3)CC[C@H]21 ZINC000360969466 381635366 /nfs/dbraw/zinc/63/53/66/381635366.db2.gz GYIMYEDBAYQDOJ-JKSUJKDBSA-N 2 1 278.465 3.097 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccsc3)CC[C@H]21 ZINC000360969466 381635373 /nfs/dbraw/zinc/63/53/73/381635373.db2.gz GYIMYEDBAYQDOJ-JKSUJKDBSA-N 2 1 278.465 3.097 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccsc3)CC[C@H]21 ZINC000360969466 381635379 /nfs/dbraw/zinc/63/53/79/381635379.db2.gz GYIMYEDBAYQDOJ-JKSUJKDBSA-N 2 1 278.465 3.097 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000226542001 542291583 /nfs/dbraw/zinc/29/15/83/542291583.db2.gz FWUSCZNFUZWDOF-YYIAUSFCSA-N 2 1 282.472 3.044 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227171015 542293400 /nfs/dbraw/zinc/29/34/00/542293400.db2.gz SOBLIGOLBAHESG-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475125614 296326956 /nfs/dbraw/zinc/32/69/56/296326956.db2.gz UMXKYOFVMWGRPW-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP Fc1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)[nH]c2c1 ZINC000362923170 382150443 /nfs/dbraw/zinc/15/04/43/382150443.db2.gz IGBFPEWTRDWBDU-GOEBONIOSA-N 2 1 287.382 3.023 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362923713 382150488 /nfs/dbraw/zinc/15/04/88/382150488.db2.gz UODDDRVMVDUJSC-UHFFFAOYSA-N 2 1 277.387 3.127 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362923713 382150491 /nfs/dbraw/zinc/15/04/91/382150491.db2.gz UODDDRVMVDUJSC-UHFFFAOYSA-N 2 1 277.387 3.127 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362924569 382150708 /nfs/dbraw/zinc/15/07/08/382150708.db2.gz YRFOSCNKHURTSU-UHFFFAOYSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000235875556 542314141 /nfs/dbraw/zinc/31/41/41/542314141.db2.gz BGVUBEKKZMTRFF-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247042941 542329573 /nfs/dbraw/zinc/32/95/73/542329573.db2.gz YYIJCZWGMKHSLZ-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247042941 542329578 /nfs/dbraw/zinc/32/95/78/542329578.db2.gz YYIJCZWGMKHSLZ-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247042941 542329582 /nfs/dbraw/zinc/32/95/82/542329582.db2.gz YYIJCZWGMKHSLZ-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000251559027 542346464 /nfs/dbraw/zinc/34/64/64/542346464.db2.gz BKPGBRGEWIIVJK-LALPHHSUSA-N 2 1 298.377 3.408 20 0 CGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250519566 542343230 /nfs/dbraw/zinc/34/32/30/542343230.db2.gz AJDCOGNSWJKENQ-ZOBUZTSGSA-N 2 1 288.460 3.191 20 0 CGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250519566 542343233 /nfs/dbraw/zinc/34/32/33/542343233.db2.gz AJDCOGNSWJKENQ-ZOBUZTSGSA-N 2 1 288.460 3.191 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416220 542349461 /nfs/dbraw/zinc/34/94/61/542349461.db2.gz NGRWWDAGRRYKBT-CKEIUWERSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416220 542349463 /nfs/dbraw/zinc/34/94/63/542349463.db2.gz NGRWWDAGRRYKBT-CKEIUWERSA-N 2 1 276.399 3.351 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C)nc1 ZINC000348969499 218784802 /nfs/dbraw/zinc/78/48/02/218784802.db2.gz UPUHMAXHVXUEBO-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335345889 208240902 /nfs/dbraw/zinc/24/09/02/208240902.db2.gz QUQUIAQVTQGDHQ-CHWSQXEVSA-N 2 1 255.365 3.083 20 0 CGADMP CC[N@@H+](Cc1cc(C)sc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435396574 285095090 /nfs/dbraw/zinc/09/50/90/285095090.db2.gz ZJVHFYQVCKJQJE-OAHLLOKOSA-N 2 1 266.454 3.329 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423269239 533058073 /nfs/dbraw/zinc/05/80/73/533058073.db2.gz VSKZRRRPHOAKHT-CHWSQXEVSA-N 2 1 266.454 3.433 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CCC2)CC1 ZINC000289330463 197298135 /nfs/dbraw/zinc/29/81/35/197298135.db2.gz DMDQTFXZUXXSKZ-UHFFFAOYSA-N 2 1 260.381 3.033 20 0 CGADMP COC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423338934 533090756 /nfs/dbraw/zinc/09/07/56/533090756.db2.gz LFOCAPVVGODDDK-HOTGVXAUSA-N 2 1 296.842 3.007 20 0 CGADMP C[N@@H+](Cc1ccc2occc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289270281 197281257 /nfs/dbraw/zinc/28/12/57/197281257.db2.gz GFRSGWUJKFJFOE-SJPCQFCGSA-N 2 1 284.403 3.490 20 0 CGADMP C[NH+](Cc1ccc2occc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289270281 197281259 /nfs/dbraw/zinc/28/12/59/197281259.db2.gz GFRSGWUJKFJFOE-SJPCQFCGSA-N 2 1 284.403 3.490 20 0 CGADMP C[NH+](Cc1ccc2occc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289270281 197281261 /nfs/dbraw/zinc/28/12/61/197281261.db2.gz GFRSGWUJKFJFOE-SJPCQFCGSA-N 2 1 284.403 3.490 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339066050 542485990 /nfs/dbraw/zinc/48/59/90/542485990.db2.gz AMBQDOVDUFUROC-SNPRPXQTSA-N 2 1 294.389 3.285 20 0 CGADMP CC(C)n1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000179704887 260063727 /nfs/dbraw/zinc/06/37/27/260063727.db2.gz KZEYLQDKQAKTHC-UHFFFAOYSA-N 2 1 292.471 3.018 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc2c1 ZINC000423268943 533337132 /nfs/dbraw/zinc/33/71/32/533337132.db2.gz VJFJCMJCZGJSGU-UGSOOPFHSA-N 2 1 286.419 3.482 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])ccc2c1 ZINC000423437105 533337557 /nfs/dbraw/zinc/33/75/57/533337557.db2.gz FYFZNEBWJWJZKW-AVGNSLFASA-N 2 1 272.392 3.235 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])ccc2c1 ZINC000423437107 533337582 /nfs/dbraw/zinc/33/75/82/533337582.db2.gz FYFZNEBWJWJZKW-XQQFMLRXSA-N 2 1 272.392 3.235 20 0 CGADMP COc1c(C)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000368782163 533399297 /nfs/dbraw/zinc/39/92/97/533399297.db2.gz RPTJSQZMNSRRLU-IAGOWNOFSA-N 2 1 288.435 3.028 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423321060 533412228 /nfs/dbraw/zinc/41/22/28/533412228.db2.gz FXYMELVIEBCWKS-RHSMWYFYSA-N 2 1 276.424 3.044 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423325258 533423897 /nfs/dbraw/zinc/42/38/97/533423897.db2.gz JHRCQIVOIUJTMS-ABAIWWIYSA-N 2 1 268.351 3.005 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1 ZINC000378896870 542593484 /nfs/dbraw/zinc/59/34/84/542593484.db2.gz VFOGFSWISFBYFN-FGTMMUONSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000381088184 542596059 /nfs/dbraw/zinc/59/60/59/542596059.db2.gz VTSDGKORIVMTOF-SFHVURJKSA-N 2 1 295.430 3.136 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCC[NH3+])C1 ZINC000414699203 542638398 /nfs/dbraw/zinc/63/83/98/542638398.db2.gz DMZMKOSJILFZSU-BXUZGUMPSA-N 2 1 286.341 3.437 20 0 CGADMP [NH3+]CCC[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000415089996 542641744 /nfs/dbraw/zinc/64/17/44/542641744.db2.gz OIOPSGGKFWCQJR-MRXNPFEDSA-N 2 1 274.795 3.368 20 0 CGADMP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000037108042 391980530 /nfs/dbraw/zinc/98/05/30/391980530.db2.gz TZEUYGBRYUVTSJ-HNNXBMFYSA-N 2 1 276.424 3.285 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000052332507 392075719 /nfs/dbraw/zinc/07/57/19/392075719.db2.gz FJKMEQIABAAYFO-WWTUQBGBSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000054555334 392092225 /nfs/dbraw/zinc/09/22/25/392092225.db2.gz SUGKUONYNZMGNJ-BHUNQDJPSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000054555334 392092228 /nfs/dbraw/zinc/09/22/28/392092228.db2.gz SUGKUONYNZMGNJ-BHUNQDJPSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000070359510 392182467 /nfs/dbraw/zinc/18/24/67/392182467.db2.gz RHIOPFJETOSISA-BDXSIMOUSA-N 2 1 296.499 3.290 20 0 CGADMP CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821353 392233224 /nfs/dbraw/zinc/23/32/24/392233224.db2.gz WNWZQZAAMOTDOP-UHFFFAOYSA-N 2 1 261.413 3.030 20 0 CGADMP CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000361268540 392273347 /nfs/dbraw/zinc/27/33/47/392273347.db2.gz WKBOALSKDIJALU-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000361268540 392273352 /nfs/dbraw/zinc/27/33/52/392273352.db2.gz WKBOALSKDIJALU-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CC[C@@H]1CC[N@@H+](CC[C@@H](C)[NH+]2CC[C@H](CC)C2)C1 ZINC000431613836 542653030 /nfs/dbraw/zinc/65/30/30/542653030.db2.gz JRVMTFZMSZJBFL-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@H](CC)C2)C1 ZINC000431613836 542653031 /nfs/dbraw/zinc/65/30/31/542653031.db2.gz JRVMTFZMSZJBFL-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@H](CC)C2)C1 ZINC000431613836 542653035 /nfs/dbraw/zinc/65/30/35/542653035.db2.gz JRVMTFZMSZJBFL-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CC1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000432836437 542653631 /nfs/dbraw/zinc/65/36/31/542653631.db2.gz UWQKEVVHCANVEK-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc(C)c1 ZINC000286091541 392374249 /nfs/dbraw/zinc/37/42/49/392374249.db2.gz MTOAVAWYDCBWLP-GOSISDBHSA-N 2 1 290.451 3.147 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000133835537 392465391 /nfs/dbraw/zinc/46/53/91/392465391.db2.gz DODNTOCPMDQQCO-CKEIUWERSA-N 2 1 292.442 3.422 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125279515 392438247 /nfs/dbraw/zinc/43/82/47/392438247.db2.gz WRDRCQHNHBDGLN-FIRUKDTASA-N 2 1 278.827 3.460 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000290163845 392442789 /nfs/dbraw/zinc/44/27/89/392442789.db2.gz DKKFKXVOSDNKRQ-CXAGYDPISA-N 2 1 256.393 3.086 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000136398872 392478046 /nfs/dbraw/zinc/47/80/46/392478046.db2.gz MQDJHVVVBZOURM-QGZVFWFLSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000136398872 392478052 /nfs/dbraw/zinc/47/80/52/392478052.db2.gz MQDJHVVVBZOURM-QGZVFWFLSA-N 2 1 291.439 3.005 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000302320143 392615385 /nfs/dbraw/zinc/61/53/85/392615385.db2.gz JOKSHRSDHPYKNC-WZYMTQMTSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000156150337 392546435 /nfs/dbraw/zinc/54/64/35/392546435.db2.gz KKBAOVDVSGDLKW-DIOULYMOSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000156150337 392546438 /nfs/dbraw/zinc/54/64/38/392546438.db2.gz KKBAOVDVSGDLKW-DIOULYMOSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000156460798 392547711 /nfs/dbraw/zinc/54/77/11/392547711.db2.gz JHNATZKPEJMTTJ-CVEARBPZSA-N 2 1 275.440 3.387 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1(C)CC1 ZINC000157889803 392550467 /nfs/dbraw/zinc/55/04/67/392550467.db2.gz LGIMAGUDDSQFRQ-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480169 392734538 /nfs/dbraw/zinc/73/45/38/392734538.db2.gz DHYJAHFTMMIUDV-SJLPKXTDSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482585 392737076 /nfs/dbraw/zinc/73/70/76/392737076.db2.gz QZZIPSRPAZHDFU-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647497765 392740386 /nfs/dbraw/zinc/74/03/86/392740386.db2.gz UEESPMZTYAJETG-GOEBONIOSA-N 2 1 278.465 3.358 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc3nc(C)sc3c2)CC[C@H]1[NH3+] ZINC000647497255 392740548 /nfs/dbraw/zinc/74/05/48/392740548.db2.gz AZNZPGHTZIGXBF-UONOGXRCSA-N 2 1 289.448 3.164 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H](c2ccccc2)C(C)C)CC[C@H]1[NH3+] ZINC000647497482 392740993 /nfs/dbraw/zinc/74/09/93/392740993.db2.gz JHEIURBFCNZBIJ-KBAYOESNSA-N 2 1 274.452 3.485 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647499102 392742281 /nfs/dbraw/zinc/74/22/81/392742281.db2.gz ZLRARPYHVRDYBO-HLLBOEOZSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2cnc(C3CCCC3)s2)CC[C@H]1[NH3+] ZINC000647498204 392742567 /nfs/dbraw/zinc/74/25/67/392742567.db2.gz COWOJPFNHBGKOY-IUODEOHRSA-N 2 1 293.480 3.360 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CC[C@H]1[NH3+] ZINC000647498204 392742570 /nfs/dbraw/zinc/74/25/70/392742570.db2.gz COWOJPFNHBGKOY-IUODEOHRSA-N 2 1 293.480 3.360 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000647498425 392743012 /nfs/dbraw/zinc/74/30/12/392743012.db2.gz GWVHVLGBHOJOAI-HOCLYGCPSA-N 2 1 276.424 3.033 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000647498425 392743015 /nfs/dbraw/zinc/74/30/15/392743015.db2.gz GWVHVLGBHOJOAI-HOCLYGCPSA-N 2 1 276.424 3.033 20 0 CGADMP c1ccc2oc([C@@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000647513616 392746542 /nfs/dbraw/zinc/74/65/42/392746542.db2.gz PLRQGKWFQYEOFZ-LSDHHAIUSA-N 2 1 299.418 3.007 20 0 CGADMP Fc1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542926 392759521 /nfs/dbraw/zinc/75/95/21/392759521.db2.gz DTFGWZDHOSLBAX-KGLIPLIRSA-N 2 1 294.389 3.176 20 0 CGADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647552671 392765841 /nfs/dbraw/zinc/76/58/41/392765841.db2.gz QJJBGHCDXGCFPC-BZUAXINKSA-N 2 1 264.457 3.134 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)[C@@H](C)C2 ZINC000180095333 392707791 /nfs/dbraw/zinc/70/77/91/392707791.db2.gz WIORRIUXJWBBHJ-YZVOILCLSA-N 2 1 284.447 3.302 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000486963878 542708978 /nfs/dbraw/zinc/70/89/78/542708978.db2.gz GXSBHERUUVOESX-UHFFFAOYSA-N 2 1 293.480 3.231 20 0 CGADMP CC[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000647936928 392837570 /nfs/dbraw/zinc/83/75/70/392837570.db2.gz NOJKUZRJEZGFLE-ABAIWWIYSA-N 2 1 284.806 3.081 20 0 CGADMP CC[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000647936928 392837573 /nfs/dbraw/zinc/83/75/73/392837573.db2.gz NOJKUZRJEZGFLE-ABAIWWIYSA-N 2 1 284.806 3.081 20 0 CGADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[C@H](C)C2)CC[C@H]1[NH3+] ZINC000647937018 392837821 /nfs/dbraw/zinc/83/78/21/392837821.db2.gz PRQRUDKNHAAGOJ-CAOSSQGBSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647874850 392820874 /nfs/dbraw/zinc/82/08/74/392820874.db2.gz DEPPOQGRBDUSRT-QWHCGFSZSA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647874850 392820879 /nfs/dbraw/zinc/82/08/79/392820879.db2.gz DEPPOQGRBDUSRT-QWHCGFSZSA-N 2 1 278.827 3.475 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647881231 392822205 /nfs/dbraw/zinc/82/22/05/392822205.db2.gz XJSZEJZCERJIJH-OLZOCXBDSA-N 2 1 278.827 3.475 20 0 CGADMP Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879893 392822620 /nfs/dbraw/zinc/82/26/20/392822620.db2.gz VCQQCOAKOHABMH-STQMWFEESA-N 2 1 296.817 3.096 20 0 CGADMP Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879893 392822625 /nfs/dbraw/zinc/82/26/25/392822625.db2.gz VCQQCOAKOHABMH-STQMWFEESA-N 2 1 296.817 3.096 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647889330 392826138 /nfs/dbraw/zinc/82/61/38/392826138.db2.gz HXYWCFRNLUMWBX-NJAFHUGGSA-N 2 1 272.436 3.172 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000519759669 392892197 /nfs/dbraw/zinc/89/21/97/392892197.db2.gz ONDQMZMHOQZJFP-LSDHHAIUSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000519759669 392892203 /nfs/dbraw/zinc/89/22/03/392892203.db2.gz ONDQMZMHOQZJFP-LSDHHAIUSA-N 2 1 280.431 3.465 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000519864472 392898538 /nfs/dbraw/zinc/89/85/38/392898538.db2.gz WYTFYJPKZYBDDL-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000519864472 392898541 /nfs/dbraw/zinc/89/85/41/392898541.db2.gz WYTFYJPKZYBDDL-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977015 392853111 /nfs/dbraw/zinc/85/31/11/392853111.db2.gz XAECISCVBHVPKO-OALUTQOASA-N 2 1 286.463 3.331 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1C1CCC1)C1CC[NH2+]CC1 ZINC000647997404 392860327 /nfs/dbraw/zinc/86/03/27/392860327.db2.gz AGQFCBQYLXXZAH-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](Cc1cccc(OCc2ccccc2)c1)C1CC([NH3+])C1 ZINC000394446502 392938269 /nfs/dbraw/zinc/93/82/69/392938269.db2.gz JRCWFFZFUMELNU-UHFFFAOYSA-N 2 1 296.414 3.187 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000459790121 392955240 /nfs/dbraw/zinc/95/52/40/392955240.db2.gz QUVOIXUXNYFHEZ-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459785739 392955723 /nfs/dbraw/zinc/95/57/23/392955723.db2.gz PDTLPIYPDJYAPH-UAGQMJEPSA-N 2 1 264.457 3.300 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000340440630 392973262 /nfs/dbraw/zinc/97/32/62/392973262.db2.gz PVCBNEXYFHRPCC-NCXUSEDFSA-N 2 1 284.447 3.397 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000648426642 393012483 /nfs/dbraw/zinc/01/24/83/393012483.db2.gz KVDLBIPXLHDGRY-BBWFWOEESA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000648433218 393013881 /nfs/dbraw/zinc/01/38/81/393013881.db2.gz MQMKQKKFVRHDGN-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000648433218 393013890 /nfs/dbraw/zinc/01/38/90/393013890.db2.gz MQMKQKKFVRHDGN-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCc2ccncc2)CC1 ZINC000545904488 393014441 /nfs/dbraw/zinc/01/44/41/393014441.db2.gz WQFXKZXBPUDMBD-UHFFFAOYSA-N 2 1 289.467 3.066 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000545949845 393020037 /nfs/dbraw/zinc/02/00/37/393020037.db2.gz WVSCQRZMXKLXDG-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000235301880 393029378 /nfs/dbraw/zinc/02/93/78/393029378.db2.gz MMQWTSCDVQSNJP-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000235301880 393029389 /nfs/dbraw/zinc/02/93/89/393029389.db2.gz MMQWTSCDVQSNJP-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C[C@@H]1C ZINC000414991687 393083125 /nfs/dbraw/zinc/08/31/25/393083125.db2.gz AQQYPEWWHYECIL-XGUBFFRZSA-N 2 1 288.426 3.282 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000547279470 393101042 /nfs/dbraw/zinc/10/10/42/393101042.db2.gz QUMROTKOGRLIDZ-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000415032427 393104589 /nfs/dbraw/zinc/10/45/89/393104589.db2.gz ALYVJFBPHCHEHB-CQSZACIVSA-N 2 1 286.341 3.313 20 0 CGADMP Cc1cccc2c(NC[C@H]3CCC[N@H+](C)C3)c(C)c[nH+]c12 ZINC000547316819 393104727 /nfs/dbraw/zinc/10/47/27/393104727.db2.gz XGVMOHQHWVRDBK-OAHLLOKOSA-N 2 1 283.419 3.027 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1OC ZINC000344098282 393037933 /nfs/dbraw/zinc/03/79/33/393037933.db2.gz JCLZAZZWNSLYLY-BBWFWOEESA-N 2 1 296.499 3.290 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000344003119 393038043 /nfs/dbraw/zinc/03/80/43/393038043.db2.gz XUWIMWYHCDXGOZ-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000344003119 393038048 /nfs/dbraw/zinc/03/80/48/393038048.db2.gz XUWIMWYHCDXGOZ-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[C@@H]1C1CC1 ZINC000414184466 393042253 /nfs/dbraw/zinc/04/22/53/393042253.db2.gz FUUVJKXYVHILKC-WCXIOVBPSA-N 2 1 262.441 3.029 20 0 CGADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000414188634 393043211 /nfs/dbraw/zinc/04/32/11/393043211.db2.gz QMLZXPVWSFPTNN-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC000414748084 393054699 /nfs/dbraw/zinc/05/46/99/393054699.db2.gz VYHZZGIQXNABNF-STQMWFEESA-N 2 1 278.827 3.086 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414787627 393055279 /nfs/dbraw/zinc/05/52/79/393055279.db2.gz VQQALLWAOBWSOE-ZIAGYGMSSA-N 2 1 293.480 3.088 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415035657 393106807 /nfs/dbraw/zinc/10/68/07/393106807.db2.gz DZNQKYDYFVGARG-RDJZCZTQSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414955349 393063120 /nfs/dbraw/zinc/06/31/20/393063120.db2.gz UCHUROFIMPGVHU-ZANVPECISA-N 2 1 290.304 3.075 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000415053477 393114806 /nfs/dbraw/zinc/11/48/06/393114806.db2.gz JZOJVLPKBKEURP-QGZVFWFLSA-N 2 1 283.419 3.212 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415059841 393121926 /nfs/dbraw/zinc/12/19/26/393121926.db2.gz ZKXFKOFWIFDXRI-JFIYKMOQSA-N 2 1 274.452 3.172 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CCCC1 ZINC000415065575 393124259 /nfs/dbraw/zinc/12/42/59/393124259.db2.gz NBOIZIVZVDZPTO-CQSZACIVSA-N 2 1 270.779 3.086 20 0 CGADMP Fc1cc(C[NH2+]CCC[NH2+]C2CC2)cc(C(F)(F)F)c1 ZINC000415069569 393128412 /nfs/dbraw/zinc/12/84/12/393128412.db2.gz PBLLPASQVFSRCB-UHFFFAOYSA-N 2 1 290.304 3.076 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415078254 393132318 /nfs/dbraw/zinc/13/23/18/393132318.db2.gz GFLPKUDJCRLFMZ-QZTJIDSGSA-N 2 1 284.378 3.409 20 0 CGADMP CC(C)CCOc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415075751 393132423 /nfs/dbraw/zinc/13/24/23/393132423.db2.gz AAKBCBTUPHDPFA-INIZCTEOSA-N 2 1 290.451 3.201 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415080272 393133821 /nfs/dbraw/zinc/13/38/21/393133821.db2.gz JEHKGNZFIMZWBN-RBUKOAKNSA-N 2 1 298.405 3.451 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000258919217 393138151 /nfs/dbraw/zinc/13/81/51/393138151.db2.gz FXIMUNOBUNBTIA-MRXNPFEDSA-N 2 1 260.425 3.071 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415088270 393141303 /nfs/dbraw/zinc/14/13/03/393141303.db2.gz WAYFOXWPEANOJE-XOKHGSTOSA-N 2 1 258.409 3.258 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415127369 393153715 /nfs/dbraw/zinc/15/37/15/393153715.db2.gz MUUKQKLDFFRNAR-RHSMWYFYSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@H]1CC[N@@H+](CCCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000415128895 393154203 /nfs/dbraw/zinc/15/42/03/393154203.db2.gz OPTDYKBMQPFFRF-IRXDYDNUSA-N 2 1 290.451 3.152 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@H](C)C1 ZINC000470256907 393234785 /nfs/dbraw/zinc/23/47/85/393234785.db2.gz INAQTIPNIUTHNM-WBVHZDCISA-N 2 1 290.451 3.164 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4cnccc4c3)C2)C1 ZINC000646243224 393246295 /nfs/dbraw/zinc/24/62/95/393246295.db2.gz AHMGSZMIEJAVID-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4cnccc4c3)C2)C1 ZINC000646243224 393246297 /nfs/dbraw/zinc/24/62/97/393246297.db2.gz AHMGSZMIEJAVID-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4cnccc4c3)C2)C1 ZINC000646243224 393246302 /nfs/dbraw/zinc/24/63/02/393246302.db2.gz AHMGSZMIEJAVID-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP CC(C)C[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccn1 ZINC000268750889 393202797 /nfs/dbraw/zinc/20/27/97/393202797.db2.gz HJWXIGHPIBTOHI-KRWDZBQOSA-N 2 1 277.456 3.489 20 0 CGADMP CC(C)C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccn1 ZINC000268750889 393202802 /nfs/dbraw/zinc/20/28/02/393202802.db2.gz HJWXIGHPIBTOHI-KRWDZBQOSA-N 2 1 277.456 3.489 20 0 CGADMP Cc1ccoc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355232300 393273197 /nfs/dbraw/zinc/27/31/97/393273197.db2.gz BZOSPJPUHPMBAH-HOCLYGCPSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355232300 393273203 /nfs/dbraw/zinc/27/32/03/393273203.db2.gz BZOSPJPUHPMBAH-HOCLYGCPSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355232300 393273208 /nfs/dbraw/zinc/27/32/08/393273208.db2.gz BZOSPJPUHPMBAH-HOCLYGCPSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355232300 393273213 /nfs/dbraw/zinc/27/32/13/393273213.db2.gz BZOSPJPUHPMBAH-HOCLYGCPSA-N 2 1 274.408 3.037 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000475338967 393394352 /nfs/dbraw/zinc/39/43/52/393394352.db2.gz TYOSDFWOCXHSNP-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCCCOc1ccccc1 ZINC000356267169 393399913 /nfs/dbraw/zinc/39/99/13/393399913.db2.gz WZMDKYFFJSSUIJ-MRXNPFEDSA-N 2 1 278.440 3.164 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCCCOc1ccccc1 ZINC000356267169 393399918 /nfs/dbraw/zinc/39/99/18/393399918.db2.gz WZMDKYFFJSSUIJ-MRXNPFEDSA-N 2 1 278.440 3.164 20 0 CGADMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000647230278 393400458 /nfs/dbraw/zinc/40/04/58/393400458.db2.gz SSXCQMKPBNBIBT-VSZNYVQBSA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000474614982 393341596 /nfs/dbraw/zinc/34/15/96/393341596.db2.gz JGSBBHOEXFGZBH-BZUAXINKSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1C ZINC000487060184 393448491 /nfs/dbraw/zinc/44/84/91/393448491.db2.gz KEXQAHQZYXEKTC-KRWDZBQOSA-N 2 1 287.382 3.150 20 0 CGADMP CC(C)[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1C ZINC000487060184 393448495 /nfs/dbraw/zinc/44/84/95/393448495.db2.gz KEXQAHQZYXEKTC-KRWDZBQOSA-N 2 1 287.382 3.150 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCCC(F)(F)F ZINC000420287522 393450386 /nfs/dbraw/zinc/45/03/86/393450386.db2.gz HYWIVRJKBTURKY-NSHDSACASA-N 2 1 254.340 3.024 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294559 393451571 /nfs/dbraw/zinc/45/15/71/393451571.db2.gz BDYNCKXVEGKXCX-DOTOQJQBSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000420293750 393451796 /nfs/dbraw/zinc/45/17/96/393451796.db2.gz AHSYBMIYHCSGRR-NUJGCVRESA-N 2 1 272.436 3.112 20 0 CGADMP Clc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301106 393455314 /nfs/dbraw/zinc/45/53/14/393455314.db2.gz IJEFAWYXQFWREN-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399741 393482579 /nfs/dbraw/zinc/48/25/79/393482579.db2.gz OGJNJTRRFHLACN-OALUTQOASA-N 2 1 286.463 3.392 20 0 CGADMP CC(C)C[C@@H]1CCCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301007 393456177 /nfs/dbraw/zinc/45/61/77/393456177.db2.gz KWVMWFZPZHLCCD-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1ccc(C[C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420304260 393457009 /nfs/dbraw/zinc/45/70/09/393457009.db2.gz LJZHHPUWYQVBAT-SJLPKXTDSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420311405 393459786 /nfs/dbraw/zinc/45/97/86/393459786.db2.gz VUSGYPFVHKXZCB-HKUYNNGSSA-N 2 1 286.463 3.392 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc2ccccc2o1 ZINC000420311954 393460936 /nfs/dbraw/zinc/46/09/36/393460936.db2.gz WLHDLMSPGIJZQC-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000420317067 393464065 /nfs/dbraw/zinc/46/40/65/393464065.db2.gz MXNLIRXWOYYLMG-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420323387 393466377 /nfs/dbraw/zinc/46/63/77/393466377.db2.gz TZNMGTQJYSNUPW-UKRRQHHQSA-N 2 1 278.465 3.447 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2CC(C)C)cc1 ZINC000420326263 393467807 /nfs/dbraw/zinc/46/78/07/393467807.db2.gz XBYAPQOGWKMASI-IRXDYDNUSA-N 2 1 290.451 3.248 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330573 393470650 /nfs/dbraw/zinc/47/06/50/393470650.db2.gz QEIHQPSHFQYEPK-BMFZPTHFSA-N 2 1 276.399 3.208 20 0 CGADMP Fc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420333387 393470803 /nfs/dbraw/zinc/47/08/03/393470803.db2.gz SSZKSGQWRDTVGW-OLZOCXBDSA-N 2 1 296.817 3.301 20 0 CGADMP CCCC[N@@H+](C)CCNc1cc(C)[nH+]c2ccccc12 ZINC000488258185 393474781 /nfs/dbraw/zinc/47/47/81/393474781.db2.gz RWHBSNTWGXGBJK-UHFFFAOYSA-N 2 1 271.408 3.109 20 0 CGADMP COc1ccccc1CCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420369322 393477018 /nfs/dbraw/zinc/47/70/18/393477018.db2.gz OIOGSILZBCNTJR-KRWDZBQOSA-N 2 1 290.451 3.125 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCOc2ccccc2)CC1 ZINC000429553388 393477472 /nfs/dbraw/zinc/47/74/72/393477472.db2.gz NTEFBBQHVMOERM-KRWDZBQOSA-N 2 1 290.451 3.262 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OC1CCCCCC1 ZINC000420409981 393484947 /nfs/dbraw/zinc/48/49/47/393484947.db2.gz XUGYFRKEGOMESO-FUHWJXTLSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000356980350 393504610 /nfs/dbraw/zinc/50/46/10/393504610.db2.gz SQWVECWDNDYYIQ-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000488447743 393517201 /nfs/dbraw/zinc/51/72/01/393517201.db2.gz KMEANAOMVBLONI-FHERZECASA-N 2 1 252.446 3.131 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000649644139 393522313 /nfs/dbraw/zinc/52/23/13/393522313.db2.gz UAJXKNGFJCBFAW-UHFFFAOYSA-N 2 1 289.810 3.285 20 0 CGADMP C[C@H](CC[NH2+]C[C@@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000488462050 393523520 /nfs/dbraw/zinc/52/35/20/393523520.db2.gz LDGCRAKJDKHREC-INMHGKMJSA-N 2 1 260.425 3.143 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC000649665605 393533382 /nfs/dbraw/zinc/53/33/82/393533382.db2.gz QBPVQAVOZMGYOG-AWEZNQCLSA-N 2 1 289.448 3.304 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000649665605 393533386 /nfs/dbraw/zinc/53/33/86/393533386.db2.gz QBPVQAVOZMGYOG-AWEZNQCLSA-N 2 1 289.448 3.304 20 0 CGADMP CC1=C[C@@H](C)C[N@@H+](C/C=C/C[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263372 393552974 /nfs/dbraw/zinc/55/29/74/393552974.db2.gz NSTQAQQZOLJZJF-XORFASSUSA-N 2 1 274.452 3.339 20 0 CGADMP CC1=C[C@@H](C)C[NH+](C/C=C/C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263372 393552979 /nfs/dbraw/zinc/55/29/79/393552979.db2.gz NSTQAQQZOLJZJF-XORFASSUSA-N 2 1 274.452 3.339 20 0 CGADMP CC1=C[C@@H](C)C[NH+](C/C=C/C[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263372 393552982 /nfs/dbraw/zinc/55/29/82/393552982.db2.gz NSTQAQQZOLJZJF-XORFASSUSA-N 2 1 274.452 3.339 20 0 CGADMP CCCCc1nc(C[NH+]2CCC(C[NH2+]CC)CC2)cs1 ZINC000430560176 393574037 /nfs/dbraw/zinc/57/40/37/393574037.db2.gz VOHBHRSCNKWSSD-UHFFFAOYSA-N 2 1 295.496 3.307 20 0 CGADMP C[C@@](C[NH3+])([NH2+]CCCc1cccc2ccccc21)C1CC1 ZINC000430587216 393578290 /nfs/dbraw/zinc/57/82/90/393578290.db2.gz VKNYXAYHIZUXOA-IBGZPJMESA-N 2 1 282.431 3.489 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000421002697 393569966 /nfs/dbraw/zinc/56/99/66/393569966.db2.gz GPHZDYLMDXTWGI-UHFFFAOYSA-N 2 1 293.455 3.250 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000421002697 393569970 /nfs/dbraw/zinc/56/99/70/393569970.db2.gz GPHZDYLMDXTWGI-UHFFFAOYSA-N 2 1 293.455 3.250 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCOC3(CCC3)C2)([NH+](C)C)C1 ZINC000094369088 296493831 /nfs/dbraw/zinc/49/38/31/296493831.db2.gz PCRSUIGSAZZUOA-ZACQAIPSSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770750 542814682 /nfs/dbraw/zinc/81/46/82/542814682.db2.gz VBMNZYVSOKOWKE-RYUDHWBXSA-N 2 1 286.872 3.454 20 0 CGADMP Clc1ccccc1SCCC[N@@H+]1CCC[NH2+]CC1 ZINC000430635819 393581737 /nfs/dbraw/zinc/58/17/37/393581737.db2.gz WOXQIJLXFIBLRY-UHFFFAOYSA-N 2 1 284.856 3.118 20 0 CGADMP Clc1ccccc1SCCC[N@H+]1CCC[NH2+]CC1 ZINC000430635819 393581747 /nfs/dbraw/zinc/58/17/47/393581747.db2.gz WOXQIJLXFIBLRY-UHFFFAOYSA-N 2 1 284.856 3.118 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000361133170 393680319 /nfs/dbraw/zinc/68/03/19/393680319.db2.gz VKQSYPVDCGXBLN-AWEZNQCLSA-N 2 1 286.423 3.280 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCCO1 ZINC000432416119 393610725 /nfs/dbraw/zinc/61/07/25/393610725.db2.gz FWDWJQXADNJYIB-KBAYOESNSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCCO1 ZINC000432416119 393610729 /nfs/dbraw/zinc/61/07/29/393610729.db2.gz FWDWJQXADNJYIB-KBAYOESNSA-N 2 1 294.483 3.046 20 0 CGADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCCC2 ZINC000490603761 393648351 /nfs/dbraw/zinc/64/83/51/393648351.db2.gz SKCYVMDFCNVIJE-MOPGFXCFSA-N 2 1 284.447 3.282 20 0 CGADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCCC2 ZINC000490603761 393648355 /nfs/dbraw/zinc/64/83/55/393648355.db2.gz SKCYVMDFCNVIJE-MOPGFXCFSA-N 2 1 284.447 3.282 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CCC2 ZINC000423134117 393651994 /nfs/dbraw/zinc/65/19/94/393651994.db2.gz WNNRAAVPWPFUFD-COXVUDFISA-N 2 1 258.409 3.103 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccnn1-c1ccccc1 ZINC000423188965 393653421 /nfs/dbraw/zinc/65/34/21/393653421.db2.gz ZZBVFQFJLUDYFN-OAHLLOKOSA-N 2 1 298.434 3.185 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000490769895 393655292 /nfs/dbraw/zinc/65/52/92/393655292.db2.gz MQPAFTGBPOETAH-KRWDZBQOSA-N 2 1 286.463 3.387 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423243813 393655640 /nfs/dbraw/zinc/65/56/40/393655640.db2.gz KKCIBWKYVJZBTD-ZBFHGGJFSA-N 2 1 294.414 3.060 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423278020 393658755 /nfs/dbraw/zinc/65/87/55/393658755.db2.gz QJBSEIQZLSPCJP-ZIAGYGMSSA-N 2 1 297.240 3.009 20 0 CGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000361110873 393674656 /nfs/dbraw/zinc/67/46/56/393674656.db2.gz ICNSTWVLDCKWIA-WMZOPIPTSA-N 2 1 292.467 3.330 20 0 CGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000361110873 393674658 /nfs/dbraw/zinc/67/46/58/393674658.db2.gz ICNSTWVLDCKWIA-WMZOPIPTSA-N 2 1 292.467 3.330 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065539 393741338 /nfs/dbraw/zinc/74/13/38/393741338.db2.gz CDOGSUIZOZVDOL-OLZOCXBDSA-N 2 1 279.428 3.094 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000443079101 393743158 /nfs/dbraw/zinc/74/31/58/393743158.db2.gz YRIRKIADXAWTHO-MRXNPFEDSA-N 2 1 298.430 3.279 20 0 CGADMP CCC[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000361232452 393707445 /nfs/dbraw/zinc/70/74/45/393707445.db2.gz OIIBEDWQUBSQES-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000443497020 393759832 /nfs/dbraw/zinc/75/98/32/393759832.db2.gz CDUGVTPIWXBBBM-CHWSQXEVSA-N 2 1 287.382 3.211 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000494898257 393777263 /nfs/dbraw/zinc/77/72/63/393777263.db2.gz PXOMVQGVTTZKGK-RVKKMQEKSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000494898257 393777264 /nfs/dbraw/zinc/77/72/64/393777264.db2.gz PXOMVQGVTTZKGK-RVKKMQEKSA-N 2 1 272.436 3.069 20 0 CGADMP Cc1cccc(C)c1OCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000499930532 393812146 /nfs/dbraw/zinc/81/21/46/393812146.db2.gz SHWVFXGNXBOIGM-UHFFFAOYSA-N 2 1 290.451 3.100 20 0 CGADMP Cc1cccc(C)c1OCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499930532 393812147 /nfs/dbraw/zinc/81/21/47/393812147.db2.gz SHWVFXGNXBOIGM-UHFFFAOYSA-N 2 1 290.451 3.100 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000445881130 393832880 /nfs/dbraw/zinc/83/28/80/393832880.db2.gz RHQVNTHCQCHNMA-GFCCVEGCSA-N 2 1 277.334 3.148 20 0 CGADMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000501994083 393865505 /nfs/dbraw/zinc/86/55/05/393865505.db2.gz JKLPARSYRJYBLT-PVAVHDDUSA-N 2 1 275.440 3.195 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000502707866 393882760 /nfs/dbraw/zinc/88/27/60/393882760.db2.gz NBGRTQWOWOKRCD-RYQLBKOJSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[C@@H](C)C1 ZINC000449764764 393944204 /nfs/dbraw/zinc/94/42/04/393944204.db2.gz DKSPGAWKLOCEAF-XAJHFOFHSA-N 2 1 264.457 3.418 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000449783849 393944429 /nfs/dbraw/zinc/94/44/29/393944429.db2.gz SFTUGQFMAJJDPO-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000449783849 393944432 /nfs/dbraw/zinc/94/44/32/393944432.db2.gz SFTUGQFMAJJDPO-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CCn1ccnc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000453053285 394153774 /nfs/dbraw/zinc/15/37/74/394153774.db2.gz ABDFBGRURDBJSS-CVEARBPZSA-N 2 1 292.471 3.208 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453075864 394161789 /nfs/dbraw/zinc/16/17/89/394161789.db2.gz IRDDSWNSXGXCFE-FHWLQOOXSA-N 2 1 284.447 3.429 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453109424 394174483 /nfs/dbraw/zinc/17/44/83/394174483.db2.gz PLHCNTPTSMCIRN-WMLDXEAASA-N 2 1 264.457 3.275 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C(C)(C)C ZINC000453213295 394207094 /nfs/dbraw/zinc/20/70/94/394207094.db2.gz ORWLFAOCAZOHJT-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C(C)(C)C ZINC000453213295 394207097 /nfs/dbraw/zinc/20/70/97/394207097.db2.gz ORWLFAOCAZOHJT-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP Cc1cc(C)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453604286 394256319 /nfs/dbraw/zinc/25/63/19/394256319.db2.gz YUMFEMJZKOQZGS-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP Cc1cccc(C[NH2+]CCCC[N@H+](C)C2CC2)c1C ZINC000453606155 394256380 /nfs/dbraw/zinc/25/63/80/394256380.db2.gz VAXZKMLAMHQZCS-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP CCOc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453604894 394256950 /nfs/dbraw/zinc/25/69/50/394256950.db2.gz SISUJTFZJWNJLT-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000453266493 394223235 /nfs/dbraw/zinc/22/32/35/394223235.db2.gz FPHWIPHGMGLTQQ-SWHNLWLKSA-N 2 1 296.524 3.371 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000453398256 394232908 /nfs/dbraw/zinc/23/29/08/394232908.db2.gz KKUOKMLRLJFEFI-MRXNPFEDSA-N 2 1 294.389 3.416 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000453410089 394237457 /nfs/dbraw/zinc/23/74/57/394237457.db2.gz UXSBXDLOQGFVML-IBGZPJMESA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000453590763 394252446 /nfs/dbraw/zinc/25/24/46/394252446.db2.gz BFSMJRURMLAZCK-CQSZACIVSA-N 2 1 278.415 3.393 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ncc(C(C)(C)C)s1)C1CC1 ZINC000453600268 394254357 /nfs/dbraw/zinc/25/43/57/394254357.db2.gz SGHYKIBQRJSKHH-UHFFFAOYSA-N 2 1 295.496 3.405 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453602691 394255481 /nfs/dbraw/zinc/25/54/81/394255481.db2.gz ABRRXFQLKABSSN-DZGCQCFKSA-N 2 1 281.469 3.119 20 0 CGADMP CCc1cccc(F)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453603334 394255595 /nfs/dbraw/zinc/25/55/95/394255595.db2.gz XLYMWVGGGLEEST-UHFFFAOYSA-N 2 1 278.415 3.352 20 0 CGADMP C[N@H+](Cc1cc2ccncc2s1)C[C@H]1CCC[NH+](C)C1 ZINC000667517680 542883360 /nfs/dbraw/zinc/88/33/60/542883360.db2.gz BAWBUQZOJYMOKL-ZDUSSCGKSA-N 2 1 289.448 3.070 20 0 CGADMP C[NH+](Cc1cc2ccncc2s1)C[C@H]1CCC[N@H+](C)C1 ZINC000667517680 542883364 /nfs/dbraw/zinc/88/33/64/542883364.db2.gz BAWBUQZOJYMOKL-ZDUSSCGKSA-N 2 1 289.448 3.070 20 0 CGADMP C[NH+](Cc1cc2ccncc2s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000667517680 542883367 /nfs/dbraw/zinc/88/33/67/542883367.db2.gz BAWBUQZOJYMOKL-ZDUSSCGKSA-N 2 1 289.448 3.070 20 0 CGADMP Cc1ncc(CN2CCCCC[C@H]2c2ccco2)n1C ZINC000667642865 542902410 /nfs/dbraw/zinc/90/24/10/542902410.db2.gz MUORPSGWODFDHL-HNNXBMFYSA-N 2 1 273.380 3.439 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667786583 542929437 /nfs/dbraw/zinc/92/94/37/542929437.db2.gz VLCAPEQMTSEVEZ-VVLHAWIVSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1C ZINC000667960321 542950685 /nfs/dbraw/zinc/95/06/85/542950685.db2.gz JVQYTAMUNNGUQJ-QXPKXGMISA-N 2 1 281.403 3.406 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)[nH]c2c1 ZINC000668172261 542980758 /nfs/dbraw/zinc/98/07/58/542980758.db2.gz ITPDTVYHQVQAGR-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@@H]3C)[nH]c2c1 ZINC000668172261 542980759 /nfs/dbraw/zinc/98/07/59/542980759.db2.gz ITPDTVYHQVQAGR-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)[nH]c2c1 ZINC000668172261 542980760 /nfs/dbraw/zinc/98/07/60/542980760.db2.gz ITPDTVYHQVQAGR-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)[nH]c2c1 ZINC000668172261 542980761 /nfs/dbraw/zinc/98/07/61/542980761.db2.gz ITPDTVYHQVQAGR-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP CCCC[N@@H+](Cc1cnc(C)n1C)[C@@H]1CCCC[C@H]1OC ZINC000668218307 542991401 /nfs/dbraw/zinc/99/14/01/542991401.db2.gz HUULAEQXGZQCRO-IAGOWNOFSA-N 2 1 293.455 3.288 20 0 CGADMP Cc1ncc(C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000668235539 542995598 /nfs/dbraw/zinc/99/55/98/542995598.db2.gz NKPUIIGNTPVJIY-MSOLQXFVSA-N 2 1 283.419 3.497 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000668785435 543061298 /nfs/dbraw/zinc/06/12/98/543061298.db2.gz QCSLFQGFCNYTFE-RYQLBKOJSA-N 2 1 294.483 3.021 20 0 CGADMP CC(C)C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000671190529 543162410 /nfs/dbraw/zinc/16/24/10/543162410.db2.gz NPDNJLCJHYTYFF-QGZVFWFLSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000671755124 543186292 /nfs/dbraw/zinc/18/62/92/543186292.db2.gz OFGSWDMQRRDYMT-GBESFXJTSA-N 2 1 298.474 3.254 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037917944 397609552 /nfs/dbraw/zinc/60/95/52/397609552.db2.gz WSRZGZSHKKJVHX-BBRMVZONSA-N 2 1 278.465 3.275 20 0 CGADMP Clc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916549 397609681 /nfs/dbraw/zinc/60/96/81/397609681.db2.gz LOGQEDAIWOLBDE-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916549 397609684 /nfs/dbraw/zinc/60/96/84/397609684.db2.gz LOGQEDAIWOLBDE-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP Cc1c2cccc(C)c2oc1CN(C)Cc1ccnc(N)c1 ZINC000649820135 397728306 /nfs/dbraw/zinc/72/83/06/397728306.db2.gz SONDLIJPAJMWQO-UHFFFAOYSA-N 2 1 295.386 3.489 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(C)c(Cl)c2)CC[C@H]1[NH3+] ZINC000300243400 397673236 /nfs/dbraw/zinc/67/32/36/397673236.db2.gz NGOZSQAFEZRHQZ-UKRRQHHQSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)c(Cl)c2)CC[C@H]1[NH3+] ZINC000300243400 397673238 /nfs/dbraw/zinc/67/32/38/397673238.db2.gz NGOZSQAFEZRHQZ-UKRRQHHQSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC2CCC1CC2 ZINC000392260348 397692807 /nfs/dbraw/zinc/69/28/07/397692807.db2.gz PSSNDIWDQFQIPL-LYSZQXJVSA-N 2 1 262.441 3.053 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCC1 ZINC000429432346 292124007 /nfs/dbraw/zinc/12/40/07/292124007.db2.gz UQMYXADJBPWGFB-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCC1 ZINC000429432350 292124028 /nfs/dbraw/zinc/12/40/28/292124028.db2.gz UQMYXADJBPWGFB-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000491065906 397708762 /nfs/dbraw/zinc/70/87/62/397708762.db2.gz MQSYFEISFYZLFK-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429523168 292125627 /nfs/dbraw/zinc/12/56/27/292125627.db2.gz RFLDBYIGRKUNPQ-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429523168 292125628 /nfs/dbraw/zinc/12/56/28/292125628.db2.gz RFLDBYIGRKUNPQ-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000429523164 292125663 /nfs/dbraw/zinc/12/56/63/292125663.db2.gz RFLDBYIGRKUNPQ-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000429523164 292125664 /nfs/dbraw/zinc/12/56/64/292125664.db2.gz RFLDBYIGRKUNPQ-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000650708569 397898326 /nfs/dbraw/zinc/89/83/26/397898326.db2.gz DUCJOBVMOSQUGJ-RSJGLCBASA-N 2 1 294.483 3.031 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)[C@H]1CC[NH3+] ZINC000650710972 397898806 /nfs/dbraw/zinc/89/88/06/397898806.db2.gz DVQVPLJSSJGIHO-JSGCOSHPSA-N 2 1 295.496 3.390 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)s2)[C@H]1CC[NH3+] ZINC000650710972 397898808 /nfs/dbraw/zinc/89/88/08/397898808.db2.gz DVQVPLJSSJGIHO-JSGCOSHPSA-N 2 1 295.496 3.390 20 0 CGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711555 397898861 /nfs/dbraw/zinc/89/88/61/397898861.db2.gz WYRWOPZYOOPRPO-NUZZVJGCSA-N 2 1 288.435 3.158 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000650711858 397899117 /nfs/dbraw/zinc/89/91/17/397899117.db2.gz GQSQEHVVZVTZLG-AEFFLSMTSA-N 2 1 290.451 3.295 20 0 CGADMP CC[C@@H](OCC[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000650742494 397905061 /nfs/dbraw/zinc/90/50/61/397905061.db2.gz YWGRKDDHQDGYCF-RDTXWAMCSA-N 2 1 299.418 3.313 20 0 CGADMP c1ccc2c(c1)CC[C@@H](CC[NH2+]C1CC[NH+](C3CC3)CC1)N2 ZINC000650759041 397911085 /nfs/dbraw/zinc/91/10/85/397911085.db2.gz BUJIDEDUVZYVLN-KRWDZBQOSA-N 2 1 299.462 3.020 20 0 CGADMP CC(C)(C)OCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000674909185 543306177 /nfs/dbraw/zinc/30/61/77/543306177.db2.gz LOQRNCFJWYJBIN-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC000675740479 543359124 /nfs/dbraw/zinc/35/91/24/543359124.db2.gz KWHMUQIREAFUIS-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675938466 543375344 /nfs/dbraw/zinc/37/53/44/543375344.db2.gz NBZIYIRPVDJKLJ-QAPCUYQASA-N 2 1 270.420 3.348 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000675938466 543375346 /nfs/dbraw/zinc/37/53/46/543375346.db2.gz NBZIYIRPVDJKLJ-QAPCUYQASA-N 2 1 270.420 3.348 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880379 543369246 /nfs/dbraw/zinc/36/92/46/543369246.db2.gz DMPZAMRVFULMFL-SJLPKXTDSA-N 2 1 294.483 3.354 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678139672 543487789 /nfs/dbraw/zinc/48/77/89/543487789.db2.gz BZONSHMWMCEQKF-SFHVURJKSA-N 2 1 290.451 3.247 20 0 CGADMP C[C@@H]([N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)C(C)(C)C ZINC000678154110 543488862 /nfs/dbraw/zinc/48/88/62/543488862.db2.gz ZIRUCPKPCWRPKG-OAHLLOKOSA-N 2 1 292.467 3.493 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C2CCCC2)CC1 ZINC000678079034 543481608 /nfs/dbraw/zinc/48/16/08/543481608.db2.gz MSZWDMKWGVFQDX-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000678270559 543506675 /nfs/dbraw/zinc/50/66/75/543506675.db2.gz QIQBOMGKTJSWDM-HZPDHXFCSA-N 2 1 290.451 3.105 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)n1 ZINC000678413852 543521429 /nfs/dbraw/zinc/52/14/29/543521429.db2.gz LSSJLHOHRNBMBM-OAHLLOKOSA-N 2 1 287.451 3.366 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420298659 292191024 /nfs/dbraw/zinc/19/10/24/292191024.db2.gz FNLSPNZSKKKARA-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346849981 292213513 /nfs/dbraw/zinc/21/35/13/292213513.db2.gz HIOSRQXLPQAOPN-WBVHZDCISA-N 2 1 258.409 3.132 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835999 287028937 /nfs/dbraw/zinc/02/89/37/287028937.db2.gz PFFMFZHPQHEOFW-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000080426589 287065158 /nfs/dbraw/zinc/06/51/58/287065158.db2.gz SIJSBVZQEASVJA-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)s1 ZINC000088163912 287085746 /nfs/dbraw/zinc/08/57/46/287085746.db2.gz CWVRHOYMRBSWTH-MQVJKMGUSA-N 2 1 278.465 3.470 20 0 CGADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834322 165102870 /nfs/dbraw/zinc/10/28/70/165102870.db2.gz IVKGLXJTAHXDBO-KRWDZBQOSA-N 2 1 288.435 3.003 20 0 CGADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834322 165102875 /nfs/dbraw/zinc/10/28/75/165102875.db2.gz IVKGLXJTAHXDBO-KRWDZBQOSA-N 2 1 288.435 3.003 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cccn1C)[N@H+](C)Cc1ccccc1 ZINC000080206489 165153043 /nfs/dbraw/zinc/15/30/43/165153043.db2.gz XMPCCDWSPYIYOG-INIZCTEOSA-N 2 1 285.435 3.025 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cccn1C)[N@@H+](C)Cc1ccccc1 ZINC000080206489 165153047 /nfs/dbraw/zinc/15/30/47/165153047.db2.gz XMPCCDWSPYIYOG-INIZCTEOSA-N 2 1 285.435 3.025 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc3ccccc3o2)[C@H](C)C1 ZINC000090076550 165224809 /nfs/dbraw/zinc/22/48/09/165224809.db2.gz MQXXVMKZBXEECA-RHSMWYFYSA-N 2 1 286.419 3.295 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000090586469 165241378 /nfs/dbraw/zinc/24/13/78/165241378.db2.gz WEXQDJGUCOXJCZ-LSDHHAIUSA-N 2 1 264.413 3.298 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000090586469 165241380 /nfs/dbraw/zinc/24/13/80/165241380.db2.gz WEXQDJGUCOXJCZ-LSDHHAIUSA-N 2 1 264.413 3.298 20 0 CGADMP COCc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000093660000 287118341 /nfs/dbraw/zinc/11/83/41/287118341.db2.gz WPUALBMSRAMQRM-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000093660000 287118342 /nfs/dbraw/zinc/11/83/42/287118342.db2.gz WPUALBMSRAMQRM-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000093660000 287118344 /nfs/dbraw/zinc/11/83/44/287118344.db2.gz WPUALBMSRAMQRM-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000093660000 287118345 /nfs/dbraw/zinc/11/83/45/287118345.db2.gz WPUALBMSRAMQRM-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000252449278 165804650 /nfs/dbraw/zinc/80/46/50/165804650.db2.gz ZMIIBXQPJZXDJZ-RDJZCZTQSA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@H+]1CCC[C@H]1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000252449278 165804652 /nfs/dbraw/zinc/80/46/52/165804652.db2.gz ZMIIBXQPJZXDJZ-RDJZCZTQSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150751016 287151324 /nfs/dbraw/zinc/15/13/24/287151324.db2.gz STFFCOBXEMUUEK-LSDHHAIUSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150751016 287151327 /nfs/dbraw/zinc/15/13/27/287151327.db2.gz STFFCOBXEMUUEK-LSDHHAIUSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)CCC1CC[NH2+]CC1 ZINC000122513743 287210356 /nfs/dbraw/zinc/21/03/56/287210356.db2.gz AMRDIVLCPFZBLQ-UHFFFAOYSA-N 2 1 274.452 3.331 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000122567827 287210775 /nfs/dbraw/zinc/21/07/75/287210775.db2.gz UCKDRGMUYFAPAE-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1ccccc1C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000284377000 196042954 /nfs/dbraw/zinc/04/29/54/196042954.db2.gz OOIMKGNKPJFEFI-LJQANCHMSA-N 2 1 284.447 3.168 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCCC1 ZINC000125538472 287246619 /nfs/dbraw/zinc/24/66/19/287246619.db2.gz OIPHTDQJHDJKFQ-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000125598683 287247324 /nfs/dbraw/zinc/24/73/24/287247324.db2.gz JCIOEAIOGCYIPI-CYBMUJFWSA-N 2 1 282.378 3.319 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000125598683 287247325 /nfs/dbraw/zinc/24/73/25/287247325.db2.gz JCIOEAIOGCYIPI-CYBMUJFWSA-N 2 1 282.378 3.319 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408186 173183560 /nfs/dbraw/zinc/18/35/60/173183560.db2.gz BNPKCEAACWUZKH-LBPRGKRZSA-N 2 1 298.352 3.279 20 0 CGADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1Cl ZINC000043389759 175033591 /nfs/dbraw/zinc/03/35/91/175033591.db2.gz PQSNYQVKMYFIPT-LBPRGKRZSA-N 2 1 282.790 3.053 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312768460 416533147 /nfs/dbraw/zinc/53/31/47/416533147.db2.gz OSJCLIBUKSLMIC-BDAKNGLRSA-N 2 1 279.236 3.414 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000314699043 416537884 /nfs/dbraw/zinc/53/78/84/416537884.db2.gz LTRYMQGGRQQTAG-INIZCTEOSA-N 2 1 275.440 3.445 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000402837944 416548432 /nfs/dbraw/zinc/54/84/32/416548432.db2.gz XWCWEUSCOTXYRY-SZMVWBNQSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)[C@@H]1CC[NH3+] ZINC000404377895 416551747 /nfs/dbraw/zinc/55/17/47/416551747.db2.gz SQTWVPMMBIRCDF-TZMCWYRMSA-N 2 1 298.377 3.237 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)[C@@H]1CC[NH3+] ZINC000404377895 416551754 /nfs/dbraw/zinc/55/17/54/416551754.db2.gz SQTWVPMMBIRCDF-TZMCWYRMSA-N 2 1 298.377 3.237 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)[C@@H]1CC[NH3+] ZINC000404297985 416552958 /nfs/dbraw/zinc/55/29/58/416552958.db2.gz YBKBYMUQMSSUFV-TZMCWYRMSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)[C@@H]1CC[NH3+] ZINC000404297985 416552960 /nfs/dbraw/zinc/55/29/60/416552960.db2.gz YBKBYMUQMSSUFV-TZMCWYRMSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2ccsc2Cl)[C@H]1CC[NH3+] ZINC000405231350 416559704 /nfs/dbraw/zinc/55/97/04/416559704.db2.gz QXOBSRRKKOQLCZ-PWSUYJOCSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)[C@H]1CC[NH3+] ZINC000405231350 416559708 /nfs/dbraw/zinc/55/97/08/416559708.db2.gz QXOBSRRKKOQLCZ-PWSUYJOCSA-N 2 1 272.845 3.351 20 0 CGADMP C(CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000129786441 287339039 /nfs/dbraw/zinc/33/90/39/287339039.db2.gz RYGFTYBLVMCOKP-JKSUJKDBSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226540302 299000855 /nfs/dbraw/zinc/00/08/55/299000855.db2.gz IKAULIFSHFTQON-GVXVVHGQSA-N 2 1 286.341 3.436 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)c1ccccc1 ZINC000680651420 543722692 /nfs/dbraw/zinc/72/26/92/543722692.db2.gz VPDQGSBSUPAACO-UHFFFAOYSA-N 2 1 283.419 3.215 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000429534119 287394916 /nfs/dbraw/zinc/39/49/16/287394916.db2.gz COZAXWGKFPFMLT-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683769748 543939905 /nfs/dbraw/zinc/93/99/05/543939905.db2.gz ZVXWPKSWRYKTIT-QGZVFWFLSA-N 2 1 297.446 3.445 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)CC1 ZINC000683841390 543948130 /nfs/dbraw/zinc/94/81/30/543948130.db2.gz OFYIKARZPCGLPX-SFHVURJKSA-N 2 1 283.419 3.151 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccoc1 ZINC000683889082 543950351 /nfs/dbraw/zinc/95/03/51/543950351.db2.gz JZYSWSBPWIQTFV-MRXNPFEDSA-N 2 1 275.396 3.323 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683926692 543953954 /nfs/dbraw/zinc/95/39/54/543953954.db2.gz FASTVXXGLFOONQ-HNNXBMFYSA-N 2 1 285.435 3.378 20 0 CGADMP C[N@H+]1CCCC12CCN(c1cc[nH+]c3c(O)cccc13)CC2 ZINC000684580178 544016739 /nfs/dbraw/zinc/01/67/39/544016739.db2.gz BRYPNGVTLZAEQG-UHFFFAOYSA-N 2 1 297.402 3.005 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411720 543996570 /nfs/dbraw/zinc/99/65/70/543996570.db2.gz MUONESCWXZKYFX-IYBDPMFKSA-N 2 1 288.435 3.144 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2cnccc2c1 ZINC000684967016 544047988 /nfs/dbraw/zinc/04/79/88/544047988.db2.gz SDMOHBVZCMMJRU-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2cnccc2c1 ZINC000684967016 544047989 /nfs/dbraw/zinc/04/79/89/544047989.db2.gz SDMOHBVZCMMJRU-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000685662208 544093380 /nfs/dbraw/zinc/09/33/80/544093380.db2.gz CIORAYBZFYMXFC-ZIAGYGMSSA-N 2 1 268.470 3.388 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000685662208 544093382 /nfs/dbraw/zinc/09/33/82/544093382.db2.gz CIORAYBZFYMXFC-ZIAGYGMSSA-N 2 1 268.470 3.388 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000652222282 418937334 /nfs/dbraw/zinc/93/73/34/418937334.db2.gz JNEJMDBXYUZFHY-KRWDZBQOSA-N 2 1 277.456 3.346 20 0 CGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1cnn(C)c1)C1CCCCC1 ZINC000652237589 418939497 /nfs/dbraw/zinc/93/94/97/418939497.db2.gz UMNGCIUXRKJCEC-HNNXBMFYSA-N 2 1 292.471 3.115 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1cnn(C)c1)C1CCCCC1 ZINC000652237589 418939501 /nfs/dbraw/zinc/93/95/01/418939501.db2.gz UMNGCIUXRKJCEC-HNNXBMFYSA-N 2 1 292.471 3.115 20 0 CGADMP CC[C@H](OCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000652236374 418940346 /nfs/dbraw/zinc/94/03/46/418940346.db2.gz KOAOGHKQHLJWOB-NXHRZFHOSA-N 2 1 290.451 3.227 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000652343520 418955803 /nfs/dbraw/zinc/95/58/03/418955803.db2.gz PMSYWVYGOKPYJV-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)=CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659945206 419040924 /nfs/dbraw/zinc/04/09/24/419040924.db2.gz TYLTWXPWRZPUTD-INIZCTEOSA-N 2 1 250.430 3.293 20 0 CGADMP CSc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000659947748 419041365 /nfs/dbraw/zinc/04/13/65/419041365.db2.gz MRBTZFFSKPWUGI-MRXNPFEDSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000659947748 419041368 /nfs/dbraw/zinc/04/13/68/419041368.db2.gz MRBTZFFSKPWUGI-MRXNPFEDSA-N 2 1 290.476 3.326 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000659974678 419049497 /nfs/dbraw/zinc/04/94/97/419049497.db2.gz OVTAIOAEIPQSLW-ZFWWWQNUSA-N 2 1 288.426 3.332 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000659974678 419049501 /nfs/dbraw/zinc/04/95/01/419049501.db2.gz OVTAIOAEIPQSLW-ZFWWWQNUSA-N 2 1 288.426 3.332 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974678 419049504 /nfs/dbraw/zinc/04/95/04/419049504.db2.gz OVTAIOAEIPQSLW-ZFWWWQNUSA-N 2 1 288.426 3.332 20 0 CGADMP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000665241481 419088825 /nfs/dbraw/zinc/08/88/25/419088825.db2.gz NYUJKGZBBQETQO-VNQPRFMTSA-N 2 1 278.827 3.003 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2occc2c1 ZINC000665237936 419088913 /nfs/dbraw/zinc/08/89/13/419088913.db2.gz MINMCPSHOIDGBC-KDOFPFPSSA-N 2 1 294.398 3.481 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+]CC3([NH3+])CCCC3)oc21 ZINC000665248096 419090708 /nfs/dbraw/zinc/09/07/08/419090708.db2.gz OUICJSOYORRKKZ-LBPRGKRZSA-N 2 1 288.391 3.364 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CCCC1 ZINC000665247522 419090859 /nfs/dbraw/zinc/09/08/59/419090859.db2.gz DMPSWURXJWCRFQ-OAHLLOKOSA-N 2 1 262.372 3.064 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000665248971 419092655 /nfs/dbraw/zinc/09/26/55/419092655.db2.gz GYMVZHKHUMCEQP-NSHDSACASA-N 2 1 282.428 3.470 20 0 CGADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCCCC2)c1 ZINC000665253649 419094183 /nfs/dbraw/zinc/09/41/83/419094183.db2.gz YDIQBLLKGYYIHR-IRXDYDNUSA-N 2 1 276.399 3.194 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000665254236 419094466 /nfs/dbraw/zinc/09/44/66/419094466.db2.gz KVNJWHJKBFOUKS-BRWVUGGUSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)c1c[nH+]ccc1N ZINC000665283446 419103004 /nfs/dbraw/zinc/10/30/04/419103004.db2.gz OCVGSMNTNPIUFR-CHWSQXEVSA-N 2 1 261.413 3.361 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665288105 419105635 /nfs/dbraw/zinc/10/56/35/419105635.db2.gz DBYQPPSHLPGPJX-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665288105 419105637 /nfs/dbraw/zinc/10/56/37/419105637.db2.gz DBYQPPSHLPGPJX-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000665297483 419110247 /nfs/dbraw/zinc/11/02/47/419110247.db2.gz GYXVWBLHZJYRDK-SDDRHHMPSA-N 2 1 254.805 3.030 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000660304971 419123349 /nfs/dbraw/zinc/12/33/49/419123349.db2.gz INPZJTJYTCSNTE-QFBILLFUSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000660304971 419123353 /nfs/dbraw/zinc/12/33/53/419123353.db2.gz INPZJTJYTCSNTE-QFBILLFUSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000655682962 419063334 /nfs/dbraw/zinc/06/33/34/419063334.db2.gz OCNBQZNOINFZTP-RRFJBIMHSA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655729779 419080751 /nfs/dbraw/zinc/08/07/51/419080751.db2.gz DPGPJUGRSUYYLI-ZOBUZTSGSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655545 419175954 /nfs/dbraw/zinc/17/59/54/419175954.db2.gz NATPAMWHOKAJDF-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655545 419175956 /nfs/dbraw/zinc/17/59/56/419175956.db2.gz NATPAMWHOKAJDF-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655545 419175959 /nfs/dbraw/zinc/17/59/59/419175959.db2.gz NATPAMWHOKAJDF-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655545 419175960 /nfs/dbraw/zinc/17/59/60/419175960.db2.gz NATPAMWHOKAJDF-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CCCCCC1)C2 ZINC000660660804 419176382 /nfs/dbraw/zinc/17/63/82/419176382.db2.gz AVCMZPDBNAXAOI-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCc3ccccc3C1)C2 ZINC000660662407 419180160 /nfs/dbraw/zinc/18/01/60/419180160.db2.gz JWELRCOKVGCRNE-PXNSSMCTSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCc3ccccc3C1)C2 ZINC000660662407 419180162 /nfs/dbraw/zinc/18/01/62/419180162.db2.gz JWELRCOKVGCRNE-PXNSSMCTSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCc3ccccc3C1)C2 ZINC000660662407 419180163 /nfs/dbraw/zinc/18/01/63/419180163.db2.gz JWELRCOKVGCRNE-PXNSSMCTSA-N 2 1 298.474 3.209 20 0 CGADMP Cc1cc(C(F)(F)F)cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000656605974 419185359 /nfs/dbraw/zinc/18/53/59/419185359.db2.gz IJLKZLKQYWERRB-WDEREUQCSA-N 2 1 273.302 3.091 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657317974 419249469 /nfs/dbraw/zinc/24/94/69/419249469.db2.gz GRCDKMUQYSRSHV-UHFFFAOYSA-N 2 1 282.391 3.161 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000657325037 419251338 /nfs/dbraw/zinc/25/13/38/419251338.db2.gz JXVVXDPVHBGIHY-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CO1 ZINC000657396570 419269238 /nfs/dbraw/zinc/26/92/38/419269238.db2.gz MTZHWZHAIZMUQE-FDQGKXFDSA-N 2 1 299.418 3.399 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435150 419259651 /nfs/dbraw/zinc/25/96/51/419259651.db2.gz NFGNFTZHYPVFHI-MRXNPFEDSA-N 2 1 285.391 3.402 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435150 419259654 /nfs/dbraw/zinc/25/96/54/419259654.db2.gz NFGNFTZHYPVFHI-MRXNPFEDSA-N 2 1 285.391 3.402 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCCC1 ZINC000656788263 419219403 /nfs/dbraw/zinc/21/94/03/419219403.db2.gz HBDWGNQEICHAQH-UHFFFAOYSA-N 2 1 290.304 3.206 20 0 CGADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657716774 419332730 /nfs/dbraw/zinc/33/27/30/419332730.db2.gz STAJCDXOYOQIEU-BSDSXHPESA-N 2 1 270.420 3.149 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC(F)CC1 ZINC000657742821 419335486 /nfs/dbraw/zinc/33/54/86/419335486.db2.gz AYLZFEQMWOYGDZ-NXSPZCGBSA-N 2 1 268.420 3.120 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)[C@@H]1CCC[NH3+] ZINC000662318125 419389711 /nfs/dbraw/zinc/38/97/11/419389711.db2.gz WOCJZXADJAUQSK-CZUORRHYSA-N 2 1 264.388 3.165 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662316182 419390349 /nfs/dbraw/zinc/39/03/49/419390349.db2.gz JDCRVHHEHBHVKE-QGZVFWFLSA-N 2 1 264.457 3.278 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657869560 419396359 /nfs/dbraw/zinc/39/63/59/419396359.db2.gz JYAUDVKHNZXXEE-DRPJVOAASA-N 2 1 275.440 3.242 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657815554 419364894 /nfs/dbraw/zinc/36/48/94/419364894.db2.gz IIMWFWWQMDXDDU-ZDUSSCGKSA-N 2 1 275.396 3.210 20 0 CGADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662229836 419366360 /nfs/dbraw/zinc/36/63/60/419366360.db2.gz NGKUCHVUCZDGOY-KRWDZBQOSA-N 2 1 264.457 3.278 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662238744 419370826 /nfs/dbraw/zinc/37/08/26/419370826.db2.gz VIDFAPAUQYZERV-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@@H+](CC[C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263768 419377013 /nfs/dbraw/zinc/37/70/13/419377013.db2.gz FBUFCZHHOHJQSX-XNHLSEOASA-N 2 1 284.447 3.321 20 0 CGADMP CC[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000662271517 419378580 /nfs/dbraw/zinc/37/85/80/419378580.db2.gz VOIITGOKPFVVNO-DOMZBBRYSA-N 2 1 298.883 3.491 20 0 CGADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000657838173 419381012 /nfs/dbraw/zinc/38/10/12/419381012.db2.gz OHNIELMLVQTHMG-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC1(C)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000657839725 419381572 /nfs/dbraw/zinc/38/15/72/419381572.db2.gz DYWLWXJNQMVYNI-CQJMVSDSSA-N 2 1 262.441 3.028 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274680 419382485 /nfs/dbraw/zinc/38/24/85/419382485.db2.gz WBQCJVPUBXZHDE-IAGOWNOFSA-N 2 1 264.457 3.278 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657842731 419382702 /nfs/dbraw/zinc/38/27/02/419382702.db2.gz WYDUJECBQFFJFX-QWHCGFSZSA-N 2 1 289.448 3.289 20 0 CGADMP C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)CC(C)(C)[NH3+] ZINC000662292216 419383968 /nfs/dbraw/zinc/38/39/68/419383968.db2.gz DRAGAAWHTXWCOM-UHFFFAOYSA-N 2 1 288.357 3.307 20 0 CGADMP CC1(C)CCCC[C@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662284286 419385697 /nfs/dbraw/zinc/38/56/97/419385697.db2.gz UWYRASKCAODHAY-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1CCCN(c2cc[nH+]c3ccsc32)[C@@H]1CC[NH3+] ZINC000663243057 419530082 /nfs/dbraw/zinc/53/00/82/419530082.db2.gz VMVUTMHUACNGCE-WCQYABFASA-N 2 1 275.421 3.250 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)F)nc1 ZINC000658028765 419504606 /nfs/dbraw/zinc/50/46/06/419504606.db2.gz FNEXAEPJOIZAHO-NDNKKMJESA-N 2 1 295.377 3.295 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)F)nc1 ZINC000658028765 419504614 /nfs/dbraw/zinc/50/46/14/419504614.db2.gz FNEXAEPJOIZAHO-NDNKKMJESA-N 2 1 295.377 3.295 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000658034466 419511437 /nfs/dbraw/zinc/51/14/37/419511437.db2.gz GAYUEYUNAKFPAI-LVQVYYBASA-N 2 1 264.457 3.133 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000663499327 419636287 /nfs/dbraw/zinc/63/62/87/419636287.db2.gz YBTUPXKLXCZZLZ-CYBMUJFWSA-N 2 1 275.223 3.456 20 0 CGADMP C[C@@H]1CC(C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000658128724 419605421 /nfs/dbraw/zinc/60/54/21/419605421.db2.gz XCCWOGGKIOBGRM-KBPBESRZSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468494 419621780 /nfs/dbraw/zinc/62/17/80/419621780.db2.gz LKRPYWWGXADJSQ-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469574 419624030 /nfs/dbraw/zinc/62/40/30/419624030.db2.gz QOICZZYTVUWZRB-SQWLQELKSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469528 419626122 /nfs/dbraw/zinc/62/61/22/419626122.db2.gz QCFMYRIELZWCEJ-YOEHRIQHSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469525 419626192 /nfs/dbraw/zinc/62/61/92/419626192.db2.gz QCFMYRIELZWCEJ-PBHICJAKSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000658228182 419685166 /nfs/dbraw/zinc/68/51/66/419685166.db2.gz GYWSDTLTCDYRID-GOEBONIOSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000658228182 419685169 /nfs/dbraw/zinc/68/51/69/419685169.db2.gz GYWSDTLTCDYRID-GOEBONIOSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000658230541 419689918 /nfs/dbraw/zinc/68/99/18/419689918.db2.gz ZWEHDWBIDQHPLT-AEFFLSMTSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000658230541 419689928 /nfs/dbraw/zinc/68/99/28/419689928.db2.gz ZWEHDWBIDQHPLT-AEFFLSMTSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000658263484 419720684 /nfs/dbraw/zinc/72/06/84/419720684.db2.gz KGHFZOFPJPIVQV-RKTXRCNFSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000658263484 419720692 /nfs/dbraw/zinc/72/06/92/419720692.db2.gz KGHFZOFPJPIVQV-RKTXRCNFSA-N 2 1 258.409 3.005 20 0 CGADMP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423091766 292641609 /nfs/dbraw/zinc/64/16/09/292641609.db2.gz YSGVJBBDQQRIJG-BXUZGUMPSA-N 2 1 286.341 3.186 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000186372237 260075415 /nfs/dbraw/zinc/07/54/15/260075415.db2.gz HXFNREORXFDGNW-HNNXBMFYSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000037786303 260118161 /nfs/dbraw/zinc/11/81/61/260118161.db2.gz ACDLVAYFGLHZGU-UHFFFAOYSA-N 2 1 282.378 3.317 20 0 CGADMP C[NH+](CCCc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000525783631 262232489 /nfs/dbraw/zinc/23/24/89/262232489.db2.gz BZKGKXLLYLKCBC-SFHVURJKSA-N 2 1 274.452 3.425 20 0 CGADMP C[NH+](CCCc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000525783631 262232491 /nfs/dbraw/zinc/23/24/91/262232491.db2.gz BZKGKXLLYLKCBC-SFHVURJKSA-N 2 1 274.452 3.425 20 0 CGADMP COc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)ccc2c1 ZINC000319692951 262349562 /nfs/dbraw/zinc/34/95/62/262349562.db2.gz SOJGQQIRUVORKB-IFXJQAMLSA-N 2 1 298.430 3.278 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000391196107 262387283 /nfs/dbraw/zinc/38/72/83/262387283.db2.gz YTZFPHIYTWVWSO-UHFFFAOYSA-N 2 1 295.430 3.144 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(C)ccc2OC)CC1 ZINC000037150483 270028677 /nfs/dbraw/zinc/02/86/77/270028677.db2.gz WLKCNXOPQDFQOF-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000044534796 270036113 /nfs/dbraw/zinc/03/61/13/270036113.db2.gz XTCPCHMAHPULNG-DZGCQCFKSA-N 2 1 276.449 3.155 20 0 CGADMP CCC(CC)C[N@@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000192721149 270077560 /nfs/dbraw/zinc/07/75/60/270077560.db2.gz YEPIIKXNOANOOE-UHFFFAOYSA-N 2 1 297.531 3.161 20 0 CGADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000194250575 270081495 /nfs/dbraw/zinc/08/14/95/270081495.db2.gz VSUDJICWVGUJHA-IJEWVQPXSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000194250575 270081496 /nfs/dbraw/zinc/08/14/96/270081496.db2.gz VSUDJICWVGUJHA-IJEWVQPXSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000522623560 270106872 /nfs/dbraw/zinc/10/68/72/270106872.db2.gz XJUZWYAZGXWOLQ-XSVZSIDJSA-N 2 1 272.436 3.411 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000527099950 270125259 /nfs/dbraw/zinc/12/52/59/270125259.db2.gz VZVMRYHJQAMZAJ-DOTOQJQBSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1ccc(CCC[N@@H+](Cc2ccccc2)C[C@H](C)O)cn1 ZINC000527218751 270126970 /nfs/dbraw/zinc/12/69/70/270126970.db2.gz KKRFPQVLPFPFSS-KRWDZBQOSA-N 2 1 298.430 3.206 20 0 CGADMP Cc1ccc(CCC[N@@H+](Cc2ccccc2)C[C@@H](C)O)cn1 ZINC000527218752 270127139 /nfs/dbraw/zinc/12/71/39/270127139.db2.gz KKRFPQVLPFPFSS-QGZVFWFLSA-N 2 1 298.430 3.206 20 0 CGADMP CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527730158 270132815 /nfs/dbraw/zinc/13/28/15/270132815.db2.gz RFKDTRDNLHDFHZ-OAGGEKHMSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527921235 270144352 /nfs/dbraw/zinc/14/43/52/270144352.db2.gz QNSZCTMHGQXQFW-MAUKXSAKSA-N 2 1 274.452 3.457 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CC(F)(F)C1 ZINC000529534992 270183150 /nfs/dbraw/zinc/18/31/50/270183150.db2.gz GOKMXJSQYBAKMZ-GFCCVEGCSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(C)c1OC(F)F ZINC000072726298 533687564 /nfs/dbraw/zinc/68/75/64/533687564.db2.gz LGTQMBINFXLBNV-UHFFFAOYSA-N 2 1 298.377 3.089 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)[C@H](C)C2 ZINC000530216184 270195816 /nfs/dbraw/zinc/19/58/16/270195816.db2.gz NPHBVVDFZXWYBG-XOKHGSTOSA-N 2 1 270.420 3.103 20 0 CGADMP c1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530224269 270196396 /nfs/dbraw/zinc/19/63/96/270196396.db2.gz VWLFMZAXTQAJEK-HZPDHXFCSA-N 2 1 256.393 3.012 20 0 CGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCc1c[nH+]cn1C ZINC000530460331 270200242 /nfs/dbraw/zinc/20/02/42/270200242.db2.gz MGTCJLWWLXAQDE-CJNGLKHVSA-N 2 1 269.392 3.109 20 0 CGADMP C[C@@H](C[N@@H+](C)CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000530235550 270197069 /nfs/dbraw/zinc/19/70/69/270197069.db2.gz ZLBNHQYSANUVDT-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000530242229 270197216 /nfs/dbraw/zinc/19/72/16/270197216.db2.gz ANRLOVZGQLTQNY-NVXWUHKLSA-N 2 1 290.451 3.295 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000530355042 270199262 /nfs/dbraw/zinc/19/92/62/270199262.db2.gz YHAIZODEUMRNLG-QGZVFWFLSA-N 2 1 269.392 3.094 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531438229 270206877 /nfs/dbraw/zinc/20/68/77/270206877.db2.gz AGMNMMUFYFRGLL-XMTFNYHQSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422827965 274249429 /nfs/dbraw/zinc/24/94/29/274249429.db2.gz AHFYZOZGYMNODQ-COXVUDFISA-N 2 1 290.476 3.137 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423005778 274258803 /nfs/dbraw/zinc/25/88/03/274258803.db2.gz SSNKYDSBUUGISR-UTJXIGIESA-N 2 1 258.409 3.355 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000253193352 274303232 /nfs/dbraw/zinc/30/32/32/274303232.db2.gz OPGPYGYVXJABJN-DGCLKSJQSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000253193352 274303233 /nfs/dbraw/zinc/30/32/33/274303233.db2.gz OPGPYGYVXJABJN-DGCLKSJQSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000293733661 274341096 /nfs/dbraw/zinc/34/10/96/274341096.db2.gz OPBQKYHBPMKHQR-RUEOWNRQSA-N 2 1 290.426 3.390 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262398160 275068944 /nfs/dbraw/zinc/06/89/44/275068944.db2.gz CBEQWANIPUGVLW-LSDHHAIUSA-N 2 1 290.410 3.298 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649039 275069502 /nfs/dbraw/zinc/06/95/02/275069502.db2.gz UJNXZQAVWSXVMR-KSSFIOAISA-N 2 1 270.420 3.138 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000279032196 275701561 /nfs/dbraw/zinc/70/15/61/275701561.db2.gz WHFZUCQNEISAMH-MSOLQXFVSA-N 2 1 297.446 3.302 20 0 CGADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436304440 276015118 /nfs/dbraw/zinc/01/51/18/276015118.db2.gz DTUUSBZQIMLZKW-GOEBONIOSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CCC(C)CC1)[NH+]1CCCC1 ZINC000021517192 276018091 /nfs/dbraw/zinc/01/80/91/276018091.db2.gz TZLMHYHQMZAEQM-GPANFISMSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]1CC[N@@H+](CCC[NH+]2CC[C@@H](C(C)C)C2)C1 ZINC000489250992 276027911 /nfs/dbraw/zinc/02/79/11/276027911.db2.gz CZOHTYIWCJOXEX-CALCHBBNSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)[C@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000489250992 276027913 /nfs/dbraw/zinc/02/79/13/276027913.db2.gz CZOHTYIWCJOXEX-CALCHBBNSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)[C@H]1CC[NH+](CCC[N@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000489250992 276027914 /nfs/dbraw/zinc/02/79/14/276027914.db2.gz CZOHTYIWCJOXEX-CALCHBBNSA-N 2 1 266.473 3.332 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449736513 276028537 /nfs/dbraw/zinc/02/85/37/276028537.db2.gz VFLGWUWPQYFSTP-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316676 276074701 /nfs/dbraw/zinc/07/47/01/276074701.db2.gz RPOUDGRFPKORLR-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316676 276074702 /nfs/dbraw/zinc/07/47/02/276074702.db2.gz RPOUDGRFPKORLR-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316676 276074703 /nfs/dbraw/zinc/07/47/03/276074703.db2.gz RPOUDGRFPKORLR-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338306337 276148965 /nfs/dbraw/zinc/14/89/65/276148965.db2.gz NIWYEPDOWFHDBZ-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338306337 276148969 /nfs/dbraw/zinc/14/89/69/276148969.db2.gz NIWYEPDOWFHDBZ-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000271706317 276151805 /nfs/dbraw/zinc/15/18/05/276151805.db2.gz NMSHYAARQVGOAQ-CXAGYDPISA-N 2 1 258.409 3.309 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000246056596 276221863 /nfs/dbraw/zinc/22/18/63/276221863.db2.gz QKOQUINOHAKEMN-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP CC[N@@H+](C/C=C\c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435378905 276310102 /nfs/dbraw/zinc/31/01/02/276310102.db2.gz ACPYKQMQSGPJGU-CHYADLBTSA-N 2 1 276.399 3.303 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)[C@H](C)C1 ZINC000156471151 276315818 /nfs/dbraw/zinc/31/58/18/276315818.db2.gz MIVHFENRJHUXIJ-FPQWYMTMSA-N 2 1 296.499 3.292 20 0 CGADMP CCOCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247009796 276317551 /nfs/dbraw/zinc/31/75/51/276317551.db2.gz QIMXYMUUOFZZNF-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247009796 276317555 /nfs/dbraw/zinc/31/75/55/276317555.db2.gz QIMXYMUUOFZZNF-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247009796 276317557 /nfs/dbraw/zinc/31/75/57/276317557.db2.gz QIMXYMUUOFZZNF-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247009796 276317559 /nfs/dbraw/zinc/31/75/59/276317559.db2.gz QIMXYMUUOFZZNF-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450459603 276332397 /nfs/dbraw/zinc/33/23/97/276332397.db2.gz LGWNIULQJDXBOZ-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000360253375 276360406 /nfs/dbraw/zinc/36/04/06/276360406.db2.gz SFDIQBSWURGIQD-SQWLQELKSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000429798638 276399099 /nfs/dbraw/zinc/39/90/99/276399099.db2.gz JVCRQPBCGVRUQW-XWTMOSNGSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000429798638 276399102 /nfs/dbraw/zinc/39/91/02/276399102.db2.gz JVCRQPBCGVRUQW-XWTMOSNGSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000429798638 276399105 /nfs/dbraw/zinc/39/91/05/276399105.db2.gz JVCRQPBCGVRUQW-XWTMOSNGSA-N 2 1 296.499 3.244 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278952615 287900894 /nfs/dbraw/zinc/90/08/94/287900894.db2.gz LMTIISBDKMTJGY-LSDHHAIUSA-N 2 1 299.418 3.113 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+][C@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000359130222 276587028 /nfs/dbraw/zinc/58/70/28/276587028.db2.gz SABHDLDSJBAKBM-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000251701356 277026641 /nfs/dbraw/zinc/02/66/41/277026641.db2.gz NQYAYYLFCAMSJN-OLZOCXBDSA-N 2 1 298.377 3.280 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423284378 277031307 /nfs/dbraw/zinc/03/13/07/277031307.db2.gz YGDJGKRLXSQUKP-TVQRCGJNSA-N 2 1 287.234 3.426 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434494373 277077358 /nfs/dbraw/zinc/07/73/58/277077358.db2.gz XQAUANAOYLNVNQ-KRWDZBQOSA-N 2 1 290.426 3.432 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000334668405 277149331 /nfs/dbraw/zinc/14/93/31/277149331.db2.gz GKGZSOWFLWEHAX-KRWDZBQOSA-N 2 1 296.524 3.468 20 0 CGADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000414705977 277172512 /nfs/dbraw/zinc/17/25/12/277172512.db2.gz NYYUXIYTHVJIMU-MRXNPFEDSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000414705977 277172513 /nfs/dbraw/zinc/17/25/13/277172513.db2.gz NYYUXIYTHVJIMU-MRXNPFEDSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000311398934 277340456 /nfs/dbraw/zinc/34/04/56/277340456.db2.gz CLEPYJCLSMMBQZ-ZGRYLRDCSA-N 2 1 266.473 3.379 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336731966 277390210 /nfs/dbraw/zinc/39/02/10/277390210.db2.gz RSHUUMYUUVQPJJ-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423217448 277917067 /nfs/dbraw/zinc/91/70/67/277917067.db2.gz UFPQJXVECHETTN-WBMJQRKESA-N 2 1 282.378 3.251 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394536412 288002439 /nfs/dbraw/zinc/00/24/39/288002439.db2.gz OTNDMKCJPJYAGN-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000156578688 278028580 /nfs/dbraw/zinc/02/85/80/278028580.db2.gz GXRKYXNBZYUWHS-SLBVQIDZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@H+]1C ZINC000156578688 278028583 /nfs/dbraw/zinc/02/85/83/278028583.db2.gz GXRKYXNBZYUWHS-SLBVQIDZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1COC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000396853014 288017159 /nfs/dbraw/zinc/01/71/59/288017159.db2.gz NCZOOKVBLLKSCR-DOTOQJQBSA-N 2 1 290.451 3.054 20 0 CGADMP CC1(C)CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000153280284 278196967 /nfs/dbraw/zinc/19/69/67/278196967.db2.gz WORFQSSAFKQJRF-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000397441756 288023912 /nfs/dbraw/zinc/02/39/12/288023912.db2.gz IRMVPYPBUJYSAC-FMKPAKJESA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC1(C)C ZINC000397654229 288026230 /nfs/dbraw/zinc/02/62/30/288026230.db2.gz MMZRDERCUGUWOR-VAQLIOGMSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397654229 288026232 /nfs/dbraw/zinc/02/62/32/288026232.db2.gz MMZRDERCUGUWOR-VAQLIOGMSA-N 2 1 250.430 3.026 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397673119 288026852 /nfs/dbraw/zinc/02/68/52/288026852.db2.gz GICSDOCZXAWZFL-WFDRTZIDSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449097618 278267510 /nfs/dbraw/zinc/26/75/10/278267510.db2.gz MPWHGIKFLDXQLS-VVLHAWIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449097618 278267511 /nfs/dbraw/zinc/26/75/11/278267511.db2.gz MPWHGIKFLDXQLS-VVLHAWIVSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332117 278312982 /nfs/dbraw/zinc/31/29/82/278312982.db2.gz RIFMUUMRVMXXPG-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410817 278324688 /nfs/dbraw/zinc/32/46/88/278324688.db2.gz VITLZNCWVJZSEV-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422700397 278341362 /nfs/dbraw/zinc/34/13/62/278341362.db2.gz GWQCDYPXCVDIHM-DOMZBBRYSA-N 2 1 278.827 3.102 20 0 CGADMP C[NH+](C)C1(CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000397944587 288035718 /nfs/dbraw/zinc/03/57/18/288035718.db2.gz WCJYLDDNJOHGKI-UHFFFAOYSA-N 2 1 275.783 3.394 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCOC1 ZINC000436285435 288049465 /nfs/dbraw/zinc/04/94/65/288049465.db2.gz OVMLCVWNGISRJB-JQHSSLGASA-N 2 1 294.483 3.188 20 0 CGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000447543200 288072324 /nfs/dbraw/zinc/07/23/24/288072324.db2.gz QTMJAJLXJCBXTA-AWEZNQCLSA-N 2 1 294.439 3.048 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000253629702 288090363 /nfs/dbraw/zinc/09/03/63/288090363.db2.gz MGAAOVSJNHWYAH-ULQDDVLXSA-N 2 1 276.399 3.493 20 0 CGADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037249052 279001221 /nfs/dbraw/zinc/00/12/21/279001221.db2.gz KWSRWBWWSWNFDX-QGZVFWFLSA-N 2 1 260.425 3.458 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358391619 279014206 /nfs/dbraw/zinc/01/42/06/279014206.db2.gz FEDJLCDZROIRDF-GADXADSLSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358391619 279014207 /nfs/dbraw/zinc/01/42/07/279014207.db2.gz FEDJLCDZROIRDF-GADXADSLSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000459563377 288097675 /nfs/dbraw/zinc/09/76/75/288097675.db2.gz PZMHQSIEMGXQNL-ILXRZTDVSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000474807249 279026838 /nfs/dbraw/zinc/02/68/38/279026838.db2.gz HSCHMVXEXLMBGV-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000482106720 288111807 /nfs/dbraw/zinc/11/18/07/288111807.db2.gz KJARTLXNYVCHAQ-XJKSGUPXSA-N 2 1 278.415 3.033 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000352214514 279309572 /nfs/dbraw/zinc/30/95/72/279309572.db2.gz ZSVHRNHWSGISOH-OWCLPIDISA-N 2 1 290.451 3.033 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000352214514 279309575 /nfs/dbraw/zinc/30/95/75/279309575.db2.gz ZSVHRNHWSGISOH-OWCLPIDISA-N 2 1 290.451 3.033 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449182706 279668060 /nfs/dbraw/zinc/66/80/60/279668060.db2.gz KEJLLNSYQBNTHV-KRWDZBQOSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C[C@H](C)O1 ZINC000337996593 288160776 /nfs/dbraw/zinc/16/07/76/288160776.db2.gz KQESNHVQOPUXME-CYGHRXIMSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527655103 288182987 /nfs/dbraw/zinc/18/29/87/288182987.db2.gz YXZUEGMGXRADHR-CYBMUJFWSA-N 2 1 282.391 3.099 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527664382 288185265 /nfs/dbraw/zinc/18/52/65/288185265.db2.gz DPPZCDDWRAQJHF-VXGBXAGGSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000414775949 280173879 /nfs/dbraw/zinc/17/38/79/280173879.db2.gz WHWWLILXAHWVOE-FPAYPSAMSA-N 2 1 284.447 3.038 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000449103116 280186280 /nfs/dbraw/zinc/18/62/80/280186280.db2.gz OPOJUVMXSQWYDO-SOLBZPMBSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H]1CCC[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000422565375 281085590 /nfs/dbraw/zinc/08/55/90/281085590.db2.gz YVDVIHPNBMGCIS-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530176374 288294294 /nfs/dbraw/zinc/29/42/94/288294294.db2.gz AQTVTTAKJQHQOB-CJNGLKHVSA-N 2 1 276.399 3.021 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211654 288300549 /nfs/dbraw/zinc/30/05/49/288300549.db2.gz PHPUAFFPXXHVGU-GJZGRUSLSA-N 2 1 272.417 3.385 20 0 CGADMP CC1(C)CC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)c2ccccc21 ZINC000423275599 281135859 /nfs/dbraw/zinc/13/58/59/281135859.db2.gz LWHKCLHEDGQZKN-HOTGVXAUSA-N 2 1 258.409 3.126 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000530547496 288309363 /nfs/dbraw/zinc/30/93/63/288309363.db2.gz DHZSOVAZPBUZIG-CYBMUJFWSA-N 2 1 280.843 3.334 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000530547496 288309364 /nfs/dbraw/zinc/30/93/64/288309364.db2.gz DHZSOVAZPBUZIG-CYBMUJFWSA-N 2 1 280.843 3.334 20 0 CGADMP Cc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c(C)c[nH+]c12 ZINC000443428442 281306900 /nfs/dbraw/zinc/30/69/00/281306900.db2.gz ONWJDWYEDVAEHZ-JKSUJKDBSA-N 2 1 295.430 3.312 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC2(C1)CC[NH2+]CC2 ZINC000335359508 281307057 /nfs/dbraw/zinc/30/70/57/281307057.db2.gz JVGRTRXTHXUNGY-UHFFFAOYSA-N 2 1 281.403 3.123 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420294209 281392705 /nfs/dbraw/zinc/39/27/05/281392705.db2.gz AXJDYONOWSEFCQ-SJORKVTESA-N 2 1 272.436 3.174 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531724442 288343590 /nfs/dbraw/zinc/34/35/90/288343590.db2.gz VCVRIRVWLIYZOY-KEYYUXOJSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531724442 288343592 /nfs/dbraw/zinc/34/35/92/288343592.db2.gz VCVRIRVWLIYZOY-KEYYUXOJSA-N 2 1 278.415 3.219 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1(C)C ZINC000531994202 288348955 /nfs/dbraw/zinc/34/89/55/288348955.db2.gz YWBCOHCBCDQCBL-LTIDMASMSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000532192912 288354118 /nfs/dbraw/zinc/35/41/18/288354118.db2.gz FAPNRCFVKPCDPS-ROUUACIJSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1)C1CCOCC1 ZINC000532479197 288364399 /nfs/dbraw/zinc/36/43/99/288364399.db2.gz UYVFIRBCSRAXDW-SZMVWBNQSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CCCC1 ZINC000502286694 282045237 /nfs/dbraw/zinc/04/52/37/282045237.db2.gz XZQRVMUOQVGJNI-RRFJBIMHSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000549034782 289032625 /nfs/dbraw/zinc/03/26/25/289032625.db2.gz ACEZGDDTHNRLMI-MWDXBVQZSA-N 2 1 264.457 3.133 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000549139110 289035825 /nfs/dbraw/zinc/03/58/25/289035825.db2.gz QOQPYPQJQUELOC-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000549550361 289046396 /nfs/dbraw/zinc/04/63/96/289046396.db2.gz GZBCSFFYIAJYDP-FYXHJSOBSA-N 2 1 272.436 3.410 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)C2CCCCC2)C1 ZINC000549866499 289057875 /nfs/dbraw/zinc/05/78/75/289057875.db2.gz ZZVCAQCUBGIFEN-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)C2CCCCC2)C1 ZINC000549866499 289057877 /nfs/dbraw/zinc/05/78/77/289057877.db2.gz ZZVCAQCUBGIFEN-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)C2CCCCC2)C1 ZINC000549866499 289057881 /nfs/dbraw/zinc/05/78/81/289057881.db2.gz ZZVCAQCUBGIFEN-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC=C(C)CC1 ZINC000550890017 289089182 /nfs/dbraw/zinc/08/91/82/289089182.db2.gz CCVLKSYWBVXJHF-HOTGVXAUSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC=C(C)CC1 ZINC000550890017 289089186 /nfs/dbraw/zinc/08/91/86/289089186.db2.gz CCVLKSYWBVXJHF-HOTGVXAUSA-N 2 1 250.430 3.339 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000550929148 289090943 /nfs/dbraw/zinc/09/09/43/289090943.db2.gz WXZMGIKWRSQVDK-BZZMCLGOSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000550929148 289090945 /nfs/dbraw/zinc/09/09/45/289090945.db2.gz WXZMGIKWRSQVDK-BZZMCLGOSA-N 2 1 290.426 3.377 20 0 CGADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CCCCN2C(C)C)C1 ZINC000551069989 289098074 /nfs/dbraw/zinc/09/80/74/289098074.db2.gz PPTBEXWLTZUVOA-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000551793732 289133215 /nfs/dbraw/zinc/13/32/15/289133215.db2.gz GYDUGRCGAMZINB-RBUKOAKNSA-N 2 1 286.463 3.246 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000552033595 289151849 /nfs/dbraw/zinc/15/18/49/289151849.db2.gz KHHWBQRBHWPAON-ULQDDVLXSA-N 2 1 292.854 3.345 20 0 CGADMP CC[N@H+]1CCN(c2ccnc3ccc(Cl)cc32)[C@@H](C)C1 ZINC000553604022 289231555 /nfs/dbraw/zinc/23/15/55/289231555.db2.gz MKNJYKHKKZISHK-LBPRGKRZSA-N 2 1 289.810 3.419 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554348736 289272851 /nfs/dbraw/zinc/27/28/51/289272851.db2.gz FPPHJYKPEXANIB-VQTJNVASSA-N 2 1 298.474 3.472 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)[NH+]1CCCC1 ZINC000554349722 289273591 /nfs/dbraw/zinc/27/35/91/289273591.db2.gz MZGXKHMEPYWEGN-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000556202484 289377058 /nfs/dbraw/zinc/37/70/58/289377058.db2.gz RSZZUXGECRSPFB-XFIYOXNOSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000556225622 289378298 /nfs/dbraw/zinc/37/82/98/289378298.db2.gz YONSPAMPCLHGSW-ANLGBYQQSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414938414 289551876 /nfs/dbraw/zinc/55/18/76/289551876.db2.gz YJZDGWJATFZASG-DDTOSNHZSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338780579 290017428 /nfs/dbraw/zinc/01/74/28/290017428.db2.gz ZCJKZKLNWHXJLH-PEZLKRJXSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338780579 290017431 /nfs/dbraw/zinc/01/74/31/290017431.db2.gz ZCJKZKLNWHXJLH-PEZLKRJXSA-N 2 1 272.436 3.251 20 0 CGADMP COC[C@]1(C[NH2+][C@H](CC(C)C)c2cccs2)CCC[NH2+]1 ZINC000423430757 293295228 /nfs/dbraw/zinc/29/52/28/293295228.db2.gz QDEHWZIEFQAGMC-GDBMZVCRSA-N 2 1 296.480 3.194 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420313913 294114072 /nfs/dbraw/zinc/11/40/72/294114072.db2.gz KJDVCKROQAGLOH-LYRGGWFBSA-N 2 1 276.811 3.011 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420313913 294114075 /nfs/dbraw/zinc/11/40/75/294114075.db2.gz KJDVCKROQAGLOH-LYRGGWFBSA-N 2 1 276.811 3.011 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)c2ccccc21 ZINC000423114967 295324136 /nfs/dbraw/zinc/32/41/36/295324136.db2.gz WQKOLAFRYQACRD-CHWSQXEVSA-N 2 1 284.325 3.453 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000420396614 303126208 /nfs/dbraw/zinc/12/62/08/303126208.db2.gz LZKDDFQKURUONY-ZNMIVQPWSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1c(F)cccc1Cl ZINC000563425383 321997126 /nfs/dbraw/zinc/99/71/26/321997126.db2.gz OUZZSGGKKWKTHX-GARJFASQSA-N 2 1 270.779 3.400 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000563665866 322005974 /nfs/dbraw/zinc/00/59/74/322005974.db2.gz FGDBWIPZDMZCPM-TWMKSMIVSA-N 2 1 264.457 3.277 20 0 CGADMP Fc1ccc(C[C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000563678658 322006500 /nfs/dbraw/zinc/00/65/00/322006500.db2.gz OVLLPULQVHSEML-SFHVURJKSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000564096185 322020726 /nfs/dbraw/zinc/02/07/26/322020726.db2.gz HEJIZMPMVPRDBX-SFHVURJKSA-N 2 1 283.419 3.498 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000564096185 322020728 /nfs/dbraw/zinc/02/07/28/322020728.db2.gz HEJIZMPMVPRDBX-SFHVURJKSA-N 2 1 283.419 3.498 20 0 CGADMP Cc1ccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000564258625 322024343 /nfs/dbraw/zinc/02/43/43/322024343.db2.gz YDBFEXLLGRPYBT-UHFFFAOYSA-N 2 1 286.463 3.488 20 0 CGADMP CC(C)[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000564971443 322051855 /nfs/dbraw/zinc/05/18/55/322051855.db2.gz LLPFKBDGUDSIBY-FGTMMUONSA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000564971443 322051858 /nfs/dbraw/zinc/05/18/58/322051858.db2.gz LLPFKBDGUDSIBY-FGTMMUONSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000564973807 322052350 /nfs/dbraw/zinc/05/23/50/322052350.db2.gz TTZDCZDWVAZYLU-STQMWFEESA-N 2 1 295.858 3.156 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000565512816 322080375 /nfs/dbraw/zinc/08/03/75/322080375.db2.gz OYUBRJDBLSRIIZ-BHYGNILZSA-N 2 1 264.457 3.395 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000565742389 322089582 /nfs/dbraw/zinc/08/95/82/322089582.db2.gz BKJQJHFMPDWSKM-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000565742389 322089583 /nfs/dbraw/zinc/08/95/83/322089583.db2.gz BKJQJHFMPDWSKM-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000565742389 322089585 /nfs/dbraw/zinc/08/95/85/322089585.db2.gz BKJQJHFMPDWSKM-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCC1 ZINC000565961074 322098914 /nfs/dbraw/zinc/09/89/14/322098914.db2.gz JPZZGCRLWOXEIG-UHFFFAOYSA-N 2 1 266.816 3.088 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000567409986 322162031 /nfs/dbraw/zinc/16/20/31/322162031.db2.gz MMACXCKMLVWSTK-DBWAAGBOSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000567409986 322162034 /nfs/dbraw/zinc/16/20/34/322162034.db2.gz MMACXCKMLVWSTK-DBWAAGBOSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC000569661968 322253626 /nfs/dbraw/zinc/25/36/26/322253626.db2.gz CEXKAPCEPCPXJS-YQFWSFKMSA-N 2 1 282.472 3.043 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569927654 322260739 /nfs/dbraw/zinc/26/07/39/322260739.db2.gz FLNCXTAFVGSSCE-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000569941827 322261432 /nfs/dbraw/zinc/26/14/32/322261432.db2.gz UUHZXWBZYMBIOX-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968853 322261827 /nfs/dbraw/zinc/26/18/27/322261827.db2.gz MYUHHCDRCGJEQZ-LRDDRELGSA-N 2 1 290.382 3.344 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968853 322261829 /nfs/dbraw/zinc/26/18/29/322261829.db2.gz MYUHHCDRCGJEQZ-LRDDRELGSA-N 2 1 290.382 3.344 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968853 322261830 /nfs/dbraw/zinc/26/18/30/322261830.db2.gz MYUHHCDRCGJEQZ-LRDDRELGSA-N 2 1 290.382 3.344 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968853 322261832 /nfs/dbraw/zinc/26/18/32/322261832.db2.gz MYUHHCDRCGJEQZ-LRDDRELGSA-N 2 1 290.382 3.344 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CC3)CCCCC1 ZINC000569988905 322262530 /nfs/dbraw/zinc/26/25/30/322262530.db2.gz SCQVJLSALHHFFK-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccsc2)C1 ZINC000570856963 322283911 /nfs/dbraw/zinc/28/39/11/322283911.db2.gz LMNPURFHHIDCRL-HOCLYGCPSA-N 2 1 280.481 3.389 20 0 CGADMP CCCOc1ccc(C[NH2+]CC([NH3+])(CC)CC)cc1 ZINC000571055243 322288859 /nfs/dbraw/zinc/28/88/59/322288859.db2.gz AULUWXSPZAHAOH-UHFFFAOYSA-N 2 1 264.413 3.083 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000571053454 322288880 /nfs/dbraw/zinc/28/88/80/322288880.db2.gz LTRWBSFXAKYPPN-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CC1CCC([N@@H+](CCCc2cncn2C)C2CC2)CC1 ZINC000571772738 322307394 /nfs/dbraw/zinc/30/73/94/322307394.db2.gz KGEOBZLJBSGVBG-UHFFFAOYSA-N 2 1 275.440 3.396 20 0 CGADMP CC1CCC([N@H+](CCCc2c[nH+]cn2C)C2CC2)CC1 ZINC000571772738 322307395 /nfs/dbraw/zinc/30/73/95/322307395.db2.gz KGEOBZLJBSGVBG-UHFFFAOYSA-N 2 1 275.440 3.396 20 0 CGADMP CC1CCC([N@@H+](CCCc2c[nH+]cn2C)C2CC2)CC1 ZINC000571772738 322307397 /nfs/dbraw/zinc/30/73/97/322307397.db2.gz KGEOBZLJBSGVBG-UHFFFAOYSA-N 2 1 275.440 3.396 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571882568 322310079 /nfs/dbraw/zinc/31/00/79/322310079.db2.gz ILGZOYOZFABHFX-SJORKVTESA-N 2 1 276.399 3.352 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000572326961 322331711 /nfs/dbraw/zinc/33/17/11/322331711.db2.gz OLVFXIWKRAIPIC-KGLIPLIRSA-N 2 1 263.429 3.463 20 0 CGADMP Cc1ncc(C[NH2+]Cc2cc(C3CC3)ccc2F)n1C ZINC000573626009 322397875 /nfs/dbraw/zinc/39/78/75/322397875.db2.gz VDGRPVXXAHFMML-UHFFFAOYSA-N 2 1 273.355 3.035 20 0 CGADMP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cscn1 ZINC000578879245 327352767 /nfs/dbraw/zinc/35/27/67/327352767.db2.gz AJARKLGUUAQIMS-TZMCWYRMSA-N 2 1 275.421 3.274 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000582885994 329285425 /nfs/dbraw/zinc/28/54/25/329285425.db2.gz VYIVSCMIZRMCOD-XMTFNYHQSA-N 2 1 296.499 3.289 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1csc(Cl)c1 ZINC000191276563 330132453 /nfs/dbraw/zinc/13/24/53/330132453.db2.gz HTQFQKMYTDXKRY-MNOVXSKESA-N 2 1 272.845 3.394 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000191276563 330132454 /nfs/dbraw/zinc/13/24/54/330132454.db2.gz HTQFQKMYTDXKRY-MNOVXSKESA-N 2 1 272.845 3.394 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CSC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379632375 330144582 /nfs/dbraw/zinc/14/45/82/330144582.db2.gz SLEQLNZXYXQIFR-BFYDXBDKSA-N 2 1 292.492 3.238 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000174238816 335151082 /nfs/dbraw/zinc/15/10/82/335151082.db2.gz BHHUYXZTXGRQQJ-UHFFFAOYSA-N 2 1 298.430 3.404 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1C ZINC000576289139 335184091 /nfs/dbraw/zinc/18/40/91/335184091.db2.gz VDHQNCYSELALTE-XJKSGUPXSA-N 2 1 288.435 3.126 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1C ZINC000576289139 335184093 /nfs/dbraw/zinc/18/40/93/335184093.db2.gz VDHQNCYSELALTE-XJKSGUPXSA-N 2 1 288.435 3.126 20 0 CGADMP C=Cn1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000194423669 336020766 /nfs/dbraw/zinc/02/07/66/336020766.db2.gz RGEXRENAXFOTCO-UHFFFAOYSA-N 2 1 290.455 3.118 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194855842 336039597 /nfs/dbraw/zinc/03/95/97/336039597.db2.gz SSNKWZJCQDUXLN-WMLDXEAASA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC2CCC1CC2 ZINC000381516242 336067052 /nfs/dbraw/zinc/06/70/52/336067052.db2.gz LSSLUTARWLCOIU-ZBXHDKOXSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC2CCC1CC2 ZINC000381516242 336067054 /nfs/dbraw/zinc/06/70/54/336067054.db2.gz LSSLUTARWLCOIU-ZBXHDKOXSA-N 2 1 264.457 3.274 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C2CCCCCC2)cc1 ZINC000382180799 336084187 /nfs/dbraw/zinc/08/41/87/336084187.db2.gz BDLHOLAYDRKWPB-DLBZAZTESA-N 2 1 258.409 3.054 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3occc3c2)C1 ZINC000581516185 336092714 /nfs/dbraw/zinc/09/27/14/336092714.db2.gz ZYFDAUIMZWZZLY-DLBZAZTESA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3occc3c2)C1 ZINC000581516185 336092715 /nfs/dbraw/zinc/09/27/15/336092715.db2.gz ZYFDAUIMZWZZLY-DLBZAZTESA-N 2 1 284.403 3.349 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000383265997 336106620 /nfs/dbraw/zinc/10/66/20/336106620.db2.gz HPOVHRCXFHZWOB-BBWFWOEESA-N 2 1 272.436 3.357 20 0 CGADMP C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000383684559 336116511 /nfs/dbraw/zinc/11/65/11/336116511.db2.gz PNWCZOKPIQMPHM-JTQLQIEISA-N 2 1 275.223 3.281 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423319544 533885663 /nfs/dbraw/zinc/88/56/63/533885663.db2.gz DLHGTCMLIWKTBV-MLGOLLRUSA-N 2 1 296.842 3.389 20 0 CGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000421852295 533963234 /nfs/dbraw/zinc/96/32/34/533963234.db2.gz GXOGVBQSGMCWLM-RYUDHWBXSA-N 2 1 284.831 3.197 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423278107 533994564 /nfs/dbraw/zinc/99/45/64/533994564.db2.gz PKKQZQKMMBVTTH-JRPNMDOOSA-N 2 1 266.816 3.159 20 0 CGADMP COc1cc(F)cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000449241088 534007237 /nfs/dbraw/zinc/00/72/37/534007237.db2.gz QXHGBBTXPRGBPA-CQSZACIVSA-N 2 1 294.414 3.188 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000171709621 534059396 /nfs/dbraw/zinc/05/93/96/534059396.db2.gz JKGMINLZAJNUQS-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000171709621 534059399 /nfs/dbraw/zinc/05/93/99/534059399.db2.gz JKGMINLZAJNUQS-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000171709621 534059401 /nfs/dbraw/zinc/05/94/01/534059401.db2.gz JKGMINLZAJNUQS-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP CSc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000356093873 534202809 /nfs/dbraw/zinc/20/28/09/534202809.db2.gz JKLAZXNKLJOGQF-LBPRGKRZSA-N 2 1 284.494 3.244 20 0 CGADMP CSc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000356093873 534202814 /nfs/dbraw/zinc/20/28/14/534202814.db2.gz JKLAZXNKLJOGQF-LBPRGKRZSA-N 2 1 284.494 3.244 20 0 CGADMP CSc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000356093873 534202822 /nfs/dbraw/zinc/20/28/22/534202822.db2.gz JKLAZXNKLJOGQF-LBPRGKRZSA-N 2 1 284.494 3.244 20 0 CGADMP CSc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000356093873 534202829 /nfs/dbraw/zinc/20/28/29/534202829.db2.gz JKLAZXNKLJOGQF-LBPRGKRZSA-N 2 1 284.494 3.244 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000414181334 534226748 /nfs/dbraw/zinc/22/67/48/534226748.db2.gz LYWLTYPWVJYDCN-LBPRGKRZSA-N 2 1 255.321 3.087 20 0 CGADMP CC(C)CCC[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000364841048 519641129 /nfs/dbraw/zinc/64/11/29/519641129.db2.gz FGDJLUVRYCNKMH-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000081568458 521493495 /nfs/dbraw/zinc/49/34/95/521493495.db2.gz MKWNFPCJYZVYMK-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000081568458 521493500 /nfs/dbraw/zinc/49/35/00/521493500.db2.gz MKWNFPCJYZVYMK-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000081568458 521493506 /nfs/dbraw/zinc/49/35/06/521493506.db2.gz MKWNFPCJYZVYMK-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000290148720 522201526 /nfs/dbraw/zinc/20/15/26/522201526.db2.gz LDUWTYSIVMUGDS-RYQLBKOJSA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000290148720 522201534 /nfs/dbraw/zinc/20/15/34/522201534.db2.gz LDUWTYSIVMUGDS-RYQLBKOJSA-N 2 1 290.451 3.054 20 0 CGADMP Clc1ccc(Cl)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000437172883 534640473 /nfs/dbraw/zinc/64/04/73/534640473.db2.gz QROUQJKDMUMAIB-JTQLQIEISA-N 2 1 273.207 3.083 20 0 CGADMP COC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000156220197 522738649 /nfs/dbraw/zinc/73/86/49/522738649.db2.gz NUKMTSURLFXTMS-AEFFLSMTSA-N 2 1 292.467 3.158 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)CC1(C)CC[NH2+]CC1 ZINC000062841777 523302173 /nfs/dbraw/zinc/30/21/73/523302173.db2.gz UADZOEYWMSTBPS-UHFFFAOYSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156336236 524559970 /nfs/dbraw/zinc/55/99/70/524559970.db2.gz RNOZYKDIIXQDMF-YOEHRIQHSA-N 2 1 285.435 3.030 20 0 CGADMP c1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000067695102 526404525 /nfs/dbraw/zinc/40/45/25/526404525.db2.gz BXKOVIYJPWVZTL-UHFFFAOYSA-N 2 1 298.434 3.076 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339413763 527364536 /nfs/dbraw/zinc/36/45/36/527364536.db2.gz OIZVHPFFAULCDH-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339413763 527364540 /nfs/dbraw/zinc/36/45/40/527364540.db2.gz OIZVHPFFAULCDH-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368874630 527533990 /nfs/dbraw/zinc/53/39/90/527533990.db2.gz HONMGOUNOJATQN-QDWFBIQASA-N 2 1 270.420 3.306 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000368026073 527743193 /nfs/dbraw/zinc/74/31/93/527743193.db2.gz ZWFWKLRKMCTUCA-MKQDKFQKSA-N 2 1 294.389 3.142 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)nc2C)C[C@@H]1C ZINC000359888507 527834681 /nfs/dbraw/zinc/83/46/81/527834681.db2.gz TXRBNCIAIOWTLZ-YOEHRIQHSA-N 2 1 275.440 3.003 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)nc2C)C[C@@H]1C ZINC000359888507 527834688 /nfs/dbraw/zinc/83/46/88/527834688.db2.gz TXRBNCIAIOWTLZ-YOEHRIQHSA-N 2 1 275.440 3.003 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)nc2C)C[C@@H]1C ZINC000359888507 527834693 /nfs/dbraw/zinc/83/46/93/527834693.db2.gz TXRBNCIAIOWTLZ-YOEHRIQHSA-N 2 1 275.440 3.003 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)nc2C)C[C@@H]1C ZINC000359888507 527834698 /nfs/dbraw/zinc/83/46/98/527834698.db2.gz TXRBNCIAIOWTLZ-YOEHRIQHSA-N 2 1 275.440 3.003 20 0 CGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000449091518 527860364 /nfs/dbraw/zinc/86/03/64/527860364.db2.gz KADZNBXFHBZAGR-IRXDYDNUSA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CCCO2 ZINC000423321145 528150347 /nfs/dbraw/zinc/15/03/47/528150347.db2.gz MVSVTNZHCMYAME-IRXDYDNUSA-N 2 1 288.435 3.351 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449091798 528262200 /nfs/dbraw/zinc/26/22/00/528262200.db2.gz KUEXSDMHETXBMT-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000423388989 528315475 /nfs/dbraw/zinc/31/54/75/528315475.db2.gz NVRLECKFQXCDRR-TUAOUCFPSA-N 2 1 267.442 3.187 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423243812 528335934 /nfs/dbraw/zinc/33/59/34/528335934.db2.gz KKCIBWKYVJZBTD-HOCLYGCPSA-N 2 1 294.414 3.060 20 0 CGADMP CCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424384768 528432070 /nfs/dbraw/zinc/43/20/70/528432070.db2.gz VONUIVJTEXXAKA-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423306966 528517212 /nfs/dbraw/zinc/51/72/12/528517212.db2.gz FWRRPWLOQWHKHL-HOTGVXAUSA-N 2 1 275.440 3.005 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C(C)C)CC2)[C@@H](C)C1 ZINC000358381533 528667296 /nfs/dbraw/zinc/66/72/96/528667296.db2.gz MEWUUUCGEVGLCF-IRXDYDNUSA-N 2 1 296.499 3.149 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423266343 528689531 /nfs/dbraw/zinc/68/95/31/528689531.db2.gz BSINOAPFHKPCFA-CXAGYDPISA-N 2 1 276.424 3.253 20 0 CGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000437106053 528853281 /nfs/dbraw/zinc/85/32/81/528853281.db2.gz FVMHHPDMZWOFCK-NVXWUHKLSA-N 2 1 289.467 3.104 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423304429 528955149 /nfs/dbraw/zinc/95/51/49/528955149.db2.gz YUAPJCFLCOOPLP-WCQYABFASA-N 2 1 277.437 3.464 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000423295772 528957315 /nfs/dbraw/zinc/95/73/15/528957315.db2.gz FPCCJRRGVCDLFO-BRWVUGGUSA-N 2 1 260.425 3.430 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000423295517 528958860 /nfs/dbraw/zinc/95/88/60/528958860.db2.gz DYSGJBUTFVPFLC-HUUCEWRRSA-N 2 1 294.439 3.262 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449060271 528986698 /nfs/dbraw/zinc/98/66/98/528986698.db2.gz CPBNBCCKAIUNGM-UHFFFAOYSA-N 2 1 294.483 3.331 20 0 CGADMP CCC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C(C)(C)C ZINC000423517373 529003554 /nfs/dbraw/zinc/00/35/54/529003554.db2.gz YETJZBGXGVRGPD-OFLPRAFFSA-N 2 1 295.515 3.007 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423504469 529010477 /nfs/dbraw/zinc/01/04/77/529010477.db2.gz GAWSZXFOKPLKRQ-JKSUJKDBSA-N 2 1 296.842 3.149 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(C)ccc1OC ZINC000423557582 529161450 /nfs/dbraw/zinc/16/14/50/529161450.db2.gz NCUMQRFLHGAFIL-MRXNPFEDSA-N 2 1 276.424 3.186 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423361783 529168231 /nfs/dbraw/zinc/16/82/31/529168231.db2.gz MOYFOCNOCBZXJZ-TZMCWYRMSA-N 2 1 298.377 3.471 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000423315896 529173028 /nfs/dbraw/zinc/17/30/28/529173028.db2.gz JGEAOXAZZLCGMD-ZIAGYGMSSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000423325196 529179895 /nfs/dbraw/zinc/17/98/95/529179895.db2.gz BNWTVYXNWKRFEO-SMDDNHRTSA-N 2 1 297.240 3.099 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423314415 529246690 /nfs/dbraw/zinc/24/66/90/529246690.db2.gz HCMZGORPXSZWRX-ABAIWWIYSA-N 2 1 264.438 3.187 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000425341071 529298766 /nfs/dbraw/zinc/29/87/66/529298766.db2.gz FPPXLFZRQSRCSW-ILXRZTDVSA-N 2 1 284.513 3.371 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000425341071 529298769 /nfs/dbraw/zinc/29/87/69/529298769.db2.gz FPPXLFZRQSRCSW-ILXRZTDVSA-N 2 1 284.513 3.371 20 0 CGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cncc(F)c1 ZINC000494450934 535026111 /nfs/dbraw/zinc/02/61/11/535026111.db2.gz FVLFTJRRVOKCNK-UHFFFAOYSA-N 2 1 293.430 3.355 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000125327510 535041664 /nfs/dbraw/zinc/04/16/64/535041664.db2.gz LVUOIJLGPUVDOU-JQHSSLGASA-N 2 1 288.435 3.033 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(C)c2C)CC1 ZINC000125233766 535460373 /nfs/dbraw/zinc/46/03/73/535460373.db2.gz ISWFFPBPRUEBLH-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2C)CC1 ZINC000125233766 535460375 /nfs/dbraw/zinc/46/03/75/535460375.db2.gz ISWFFPBPRUEBLH-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)C2CC2)C1 ZINC000482866387 535819864 /nfs/dbraw/zinc/81/98/64/535819864.db2.gz FDQMDGUZCWSCKE-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)C2CC2)C1 ZINC000482866387 535819865 /nfs/dbraw/zinc/81/98/65/535819865.db2.gz FDQMDGUZCWSCKE-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCCCOc2ccccc2)C1 ZINC000459785720 536384011 /nfs/dbraw/zinc/38/40/11/536384011.db2.gz PCIJMVXOVUDNQJ-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000742385854 572573582 /nfs/dbraw/zinc/57/35/82/572573582.db2.gz YMCFDEHUJARLLF-YJBOKZPZSA-N 2 1 290.451 3.294 20 0 CGADMP OCCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000175759876 617684188 /nfs/dbraw/zinc/68/41/88/617684188.db2.gz ZZHFDROQRBWKKY-SFHVURJKSA-N 2 1 296.499 3.127 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261792176 618136495 /nfs/dbraw/zinc/13/64/95/618136495.db2.gz GEWRSVPWNQZNSU-CFVMTHIKSA-N 2 1 298.352 3.183 20 0 CGADMP C[NH+]1CCC(C[N@@H+](C2CC2)C2CCCCC2)CC1 ZINC000891624674 618242884 /nfs/dbraw/zinc/24/28/84/618242884.db2.gz DWPYRCUEJRWVJB-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)cn1 ZINC000092562483 618383688 /nfs/dbraw/zinc/38/36/88/618383688.db2.gz AIJYKFOFVNOGET-GOEBONIOSA-N 2 1 298.434 3.492 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782185629 618736498 /nfs/dbraw/zinc/73/64/98/618736498.db2.gz ZUHYXUWMWZBLJO-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](Cc2cccs2)C2CC2)CC[NH2+]1 ZINC000235696231 618818868 /nfs/dbraw/zinc/81/88/68/618818868.db2.gz LARVZZGTHBCSTO-QWHCGFSZSA-N 2 1 264.438 3.101 20 0 CGADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000892584841 618868104 /nfs/dbraw/zinc/86/81/04/618868104.db2.gz OXJMKTJPHPWXHD-OAHLLOKOSA-N 2 1 294.439 3.423 20 0 CGADMP CCCSC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000892944562 618959695 /nfs/dbraw/zinc/95/96/95/618959695.db2.gz RZQFYUHBPVMQHR-LSDHHAIUSA-N 2 1 272.502 3.228 20 0 CGADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000925514442 619008653 /nfs/dbraw/zinc/00/86/53/619008653.db2.gz OKKRQBFVLHEFLS-LSDHHAIUSA-N 2 1 299.418 3.337 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C(C)C)C1 ZINC000925587246 619075259 /nfs/dbraw/zinc/07/52/59/619075259.db2.gz HLNRCTSKIJUBDF-KZNAEPCWSA-N 2 1 296.499 3.005 20 0 CGADMP Fc1ccccc1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925663047 619117924 /nfs/dbraw/zinc/11/79/24/619117924.db2.gz ONJYFZHHNFJCEX-MRXNPFEDSA-N 2 1 276.399 3.023 20 0 CGADMP C[C@H]([NH3+])[C@@H](NCC(C)(C)c1cccnc1)c1ccccc1 ZINC000925691844 619140890 /nfs/dbraw/zinc/14/08/90/619140890.db2.gz NERSFFNKRDIJCG-WMLDXEAASA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccccc1 ZINC000925698287 619150125 /nfs/dbraw/zinc/15/01/25/619150125.db2.gz RCBDLWCQSJOHRY-GVXVVHGQSA-N 2 1 274.330 3.253 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000261587788 619289783 /nfs/dbraw/zinc/28/97/83/619289783.db2.gz JPDHLQFKZIHAAA-ZDUSSCGKSA-N 2 1 274.330 3.168 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000924871863 619378920 /nfs/dbraw/zinc/37/89/20/619378920.db2.gz GSIPNEAVEMRUTD-LBPRGKRZSA-N 2 1 269.348 3.289 20 0 CGADMP N[C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1c1ccccc1 ZINC000261749119 619399670 /nfs/dbraw/zinc/39/96/70/619399670.db2.gz PXFJUEXZUSKIOO-ZWKOTPCHSA-N 2 1 292.382 3.360 20 0 CGADMP N[C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1c1ccccc1 ZINC000261749119 619399673 /nfs/dbraw/zinc/39/96/73/619399673.db2.gz PXFJUEXZUSKIOO-ZWKOTPCHSA-N 2 1 292.382 3.360 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261758713 619401739 /nfs/dbraw/zinc/40/17/39/619401739.db2.gz NMWUPUVLVQKLBT-RISCZKNCSA-N 2 1 287.794 3.076 20 0 CGADMP C[N@H+]1CCCC12CCN(CCCSC(C)(C)C)CC2 ZINC000878338708 619423614 /nfs/dbraw/zinc/42/36/14/619423614.db2.gz ASOIHPBRNPRSGY-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCCSC(C)(C)C)CC2 ZINC000878338708 619423620 /nfs/dbraw/zinc/42/36/20/619423620.db2.gz ASOIHPBRNPRSGY-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCCSC(C)(C)C)CC2 ZINC000878338708 619423624 /nfs/dbraw/zinc/42/36/24/619423624.db2.gz ASOIHPBRNPRSGY-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261930333 619484111 /nfs/dbraw/zinc/48/41/11/619484111.db2.gz JMURKNBBXRXSAU-GDBMZVCRSA-N 2 1 298.430 3.408 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894780207 619633222 /nfs/dbraw/zinc/63/32/22/619633222.db2.gz ZTBYPUWSLOLVTO-AWEZNQCLSA-N 2 1 294.464 3.165 20 0 CGADMP c1c2c(oc1-c1ccccc1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000178976968 619721843 /nfs/dbraw/zinc/72/18/43/619721843.db2.gz PQSVWBKRFJZDNZ-UHFFFAOYSA-N 2 1 296.414 3.304 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(C2CCC2)c1 ZINC000925219453 620235266 /nfs/dbraw/zinc/23/52/66/620235266.db2.gz DIISHYHHPSHYAK-JLJPHGGASA-N 2 1 290.455 3.132 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841028106 620406594 /nfs/dbraw/zinc/40/65/94/620406594.db2.gz AAWHLZYVRHFXTN-GFCCVEGCSA-N 2 1 292.370 3.371 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCCCC2)[C@H](C)C1 ZINC000898262281 620500737 /nfs/dbraw/zinc/50/07/37/620500737.db2.gz ZDOPJSCKZVSGDP-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000924628586 620546752 /nfs/dbraw/zinc/54/67/52/620546752.db2.gz KAWQXKQIKWBOAC-BTSKDQLBSA-N 2 1 290.373 3.037 20 0 CGADMP CNc1ccccc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000902064771 621135126 /nfs/dbraw/zinc/13/51/26/621135126.db2.gz ANLLRTQDMVYSGV-INIZCTEOSA-N 2 1 289.467 3.473 20 0 CGADMP CCNc1ccccc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000902265801 621232616 /nfs/dbraw/zinc/23/26/16/621232616.db2.gz DHAFEOUGQGQHMQ-UHFFFAOYSA-N 2 1 286.423 3.193 20 0 CGADMP C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(F)cc1 ZINC000902444163 621321907 /nfs/dbraw/zinc/32/19/07/621321907.db2.gz MRIJTKCDRZEWAY-YMRXKLBXSA-N 2 1 270.351 3.101 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470860 621341611 /nfs/dbraw/zinc/34/16/11/621341611.db2.gz HWJUYVRAHPJMQQ-AQNFWKISSA-N 2 1 298.352 3.119 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000902585129 621381321 /nfs/dbraw/zinc/38/13/21/621381321.db2.gz CODVDDLSAOZEBM-UHFFFAOYSA-N 2 1 275.440 3.001 20 0 CGADMP CC1(C)C(C)(C)C1(C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000902722134 621410900 /nfs/dbraw/zinc/41/09/00/621410900.db2.gz GSWSHSNBHQTYML-CHWSQXEVSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCOCC1 ZINC000902728782 621414232 /nfs/dbraw/zinc/41/42/32/621414232.db2.gz BMMCVHOFQFDMON-QGZVFWFLSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902754717 621425326 /nfs/dbraw/zinc/42/53/26/621425326.db2.gz GYJOTTHFSZDTHN-QGZVFWFLSA-N 2 1 293.455 3.013 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)cn1 ZINC000902756565 621426186 /nfs/dbraw/zinc/42/61/86/621426186.db2.gz JERQAZVYEQDMDX-BJWYYQGGSA-N 2 1 296.418 3.244 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)cn1 ZINC000902756566 621426424 /nfs/dbraw/zinc/42/64/24/621426424.db2.gz JERQAZVYEQDMDX-HOTGVXAUSA-N 2 1 296.418 3.244 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC[N@@H+]1C ZINC000902818435 621454163 /nfs/dbraw/zinc/45/41/63/621454163.db2.gz NTTITBPHLCJTCW-BZZMCLGOSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC[N@H+]1C ZINC000902818435 621454168 /nfs/dbraw/zinc/45/41/68/621454168.db2.gz NTTITBPHLCJTCW-BZZMCLGOSA-N 2 1 294.483 3.044 20 0 CGADMP CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000903068308 621566841 /nfs/dbraw/zinc/56/68/41/621566841.db2.gz BNRJAPHTICYKER-ROUUACIJSA-N 2 1 290.451 3.184 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1C ZINC000903073826 621569963 /nfs/dbraw/zinc/56/99/63/621569963.db2.gz QNRRWZAVQUQAQO-YTLBIWTGSA-N 2 1 264.457 3.274 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1C[C@H]1C1CCC1 ZINC000903192542 621620467 /nfs/dbraw/zinc/62/04/67/621620467.db2.gz NSKXPLWSVDQRJI-LRVKYRPXSA-N 2 1 274.452 3.170 20 0 CGADMP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903220151 621632824 /nfs/dbraw/zinc/63/28/24/621632824.db2.gz LGBVJVHISPPQAG-PIDCBJLOSA-N 2 1 274.452 3.026 20 0 CGADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC(F)(F)C1 ZINC000903217333 621632888 /nfs/dbraw/zinc/63/28/88/621632888.db2.gz UTUGEVZOIQHBJX-QXMXGUDHSA-N 2 1 284.394 3.169 20 0 CGADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903220153 621633273 /nfs/dbraw/zinc/63/32/73/621633273.db2.gz LGBVJVHISPPQAG-VLVMEHSESA-N 2 1 274.452 3.026 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000903283764 621651065 /nfs/dbraw/zinc/65/10/65/621651065.db2.gz MYGAWMKKUKOQAY-APIJFGDWSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000903353093 621711003 /nfs/dbraw/zinc/71/10/03/621711003.db2.gz BNFZJYFEEZWNMK-HLLBOEOZSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903353093 621711007 /nfs/dbraw/zinc/71/10/07/621711007.db2.gz BNFZJYFEEZWNMK-HLLBOEOZSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382159 621724134 /nfs/dbraw/zinc/72/41/34/621724134.db2.gz CYFQETUOHOZAJH-GDBMZVCRSA-N 2 1 263.429 3.243 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903454107 621761037 /nfs/dbraw/zinc/76/10/37/621761037.db2.gz UTGDAESCTIFGKA-KBPBESRZSA-N 2 1 274.399 3.133 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCC(C)(F)F)C1 ZINC000903476098 621763979 /nfs/dbraw/zinc/76/39/79/621763979.db2.gz NMAYAVDGNQQWDU-AWEZNQCLSA-N 2 1 262.388 3.119 20 0 CGADMP Fc1ccc(C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C2CC2)cc1 ZINC000903719338 621796383 /nfs/dbraw/zinc/79/63/83/621796383.db2.gz YMJOUTFMBBZDEH-OAHLLOKOSA-N 2 1 276.399 3.180 20 0 CGADMP CC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000903723849 621796731 /nfs/dbraw/zinc/79/67/31/621796731.db2.gz YRIVVELMLBOJFJ-GJZGRUSLSA-N 2 1 276.424 3.165 20 0 CGADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735211 621800454 /nfs/dbraw/zinc/80/04/54/621800454.db2.gz YMBGUOGQMUIXSW-IRXDYDNUSA-N 2 1 294.483 3.047 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2F)CCC1 ZINC000903814999 621809711 /nfs/dbraw/zinc/80/97/11/621809711.db2.gz PAOOMKFXHXBQCJ-OAHLLOKOSA-N 2 1 294.389 3.448 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cccc(F)c2F)CCC1 ZINC000903814999 621809714 /nfs/dbraw/zinc/80/97/14/621809714.db2.gz PAOOMKFXHXBQCJ-OAHLLOKOSA-N 2 1 294.389 3.448 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cccc3ccccc31)C2 ZINC000903847463 621820587 /nfs/dbraw/zinc/82/05/87/621820587.db2.gz UVCPNOXMDBUFGE-XIRDDKMYSA-N 2 1 296.414 3.030 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000903888557 621823064 /nfs/dbraw/zinc/82/30/64/621823064.db2.gz GAYKBADPENYDDJ-KBPBESRZSA-N 2 1 274.399 3.404 20 0 CGADMP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000903884900 621827070 /nfs/dbraw/zinc/82/70/70/621827070.db2.gz HVGVXMYUDMQQRW-WCQYABFASA-N 2 1 286.366 3.061 20 0 CGADMP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000903884900 621827072 /nfs/dbraw/zinc/82/70/72/621827072.db2.gz HVGVXMYUDMQQRW-WCQYABFASA-N 2 1 286.366 3.061 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903935520 621835722 /nfs/dbraw/zinc/83/57/22/621835722.db2.gz QYANORXQZLJNLR-QWTCZDIYSA-N 2 1 262.441 3.195 20 0 CGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1csc2ccccc12 ZINC000903954301 621842213 /nfs/dbraw/zinc/84/22/13/621842213.db2.gz CTBKKIFGBWXWKV-GFCCVEGCSA-N 2 1 296.386 3.236 20 0 CGADMP C[C@@H](CCC1CCCC1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972420 621843648 /nfs/dbraw/zinc/84/36/48/621843648.db2.gz IIQMQANSAFPBCA-DOTOQJQBSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1CC[NH3+] ZINC000903977800 621844789 /nfs/dbraw/zinc/84/47/89/621844789.db2.gz ZRRUWEYUTDWKOY-DNVCBOLYSA-N 2 1 295.430 3.165 20 0 CGADMP COc1ccc(C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000904305272 621901807 /nfs/dbraw/zinc/90/18/07/621901807.db2.gz JILBMKNQFRMUEP-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])CN1CCC[N@H+](C2CCCC2)CC1 ZINC000904315965 621902963 /nfs/dbraw/zinc/90/29/63/621902963.db2.gz HHFFGTLFZVKGLG-INIZCTEOSA-N 2 1 295.515 3.090 20 0 CGADMP CCOc1ccc(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000904335725 621908262 /nfs/dbraw/zinc/90/82/62/621908262.db2.gz ASXYPXSFUBSGQD-IYBDPMFKSA-N 2 1 276.424 3.033 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000904358320 621912766 /nfs/dbraw/zinc/91/27/66/621912766.db2.gz LBTVNPVZSJDSQY-IRXDYDNUSA-N 2 1 291.483 3.210 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000904374382 621913611 /nfs/dbraw/zinc/91/36/11/621913611.db2.gz RROOHTFFPBCDEF-JYJNAYRXSA-N 2 1 282.472 3.031 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC000904376850 621916441 /nfs/dbraw/zinc/91/64/41/621916441.db2.gz GFYBUBJYPUGHKF-JGZJWPJOSA-N 2 1 285.218 3.089 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000904406355 621918002 /nfs/dbraw/zinc/91/80/02/621918002.db2.gz QRGMMSVTZOHYPC-NSHDSACASA-N 2 1 293.461 3.042 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405026 621918015 /nfs/dbraw/zinc/91/80/15/621918015.db2.gz HGLAFDIKAAMWKA-GFCCVEGCSA-N 2 1 286.341 3.185 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000904405057 621918464 /nfs/dbraw/zinc/91/84/64/621918464.db2.gz IBPKRZGLYDDWET-GFCCVEGCSA-N 2 1 284.806 3.082 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccccc1OC(F)F)C[NH+]1CCCC1 ZINC000057993909 622894965 /nfs/dbraw/zinc/89/49/65/622894965.db2.gz RVVKZKNCNLNENC-ZDUSSCGKSA-N 2 1 298.377 3.110 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC000226441219 622970426 /nfs/dbraw/zinc/97/04/26/622970426.db2.gz WKXWSGIUPLVODF-MQVJKMGUSA-N 2 1 250.430 3.301 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC000226441219 622970428 /nfs/dbraw/zinc/97/04/28/622970428.db2.gz WKXWSGIUPLVODF-MQVJKMGUSA-N 2 1 250.430 3.301 20 0 CGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000231458832 623323201 /nfs/dbraw/zinc/32/32/01/623323201.db2.gz AUWOTMATCJTIMF-ZDUSSCGKSA-N 2 1 286.341 3.279 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000921617260 625699463 /nfs/dbraw/zinc/69/94/63/625699463.db2.gz CADJOBFMZPSMQE-OAHLLOKOSA-N 2 1 299.418 3.304 20 0 CGADMP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000930060611 624390938 /nfs/dbraw/zinc/39/09/38/624390938.db2.gz NENNZQBNDHTJFO-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000930060611 624390941 /nfs/dbraw/zinc/39/09/41/624390941.db2.gz NENNZQBNDHTJFO-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252210170 624878581 /nfs/dbraw/zinc/87/85/81/624878581.db2.gz XYEKRMYEOKRMRP-UMVBOHGHSA-N 2 1 280.843 3.343 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252210170 624878585 /nfs/dbraw/zinc/87/85/85/624878585.db2.gz XYEKRMYEOKRMRP-UMVBOHGHSA-N 2 1 280.843 3.343 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923307960 626144185 /nfs/dbraw/zinc/14/41/85/626144185.db2.gz ZZAFNUHQJZQVQC-CQSZACIVSA-N 2 1 264.438 3.199 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923307960 626144187 /nfs/dbraw/zinc/14/41/87/626144187.db2.gz ZZAFNUHQJZQVQC-CQSZACIVSA-N 2 1 264.438 3.199 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000923492436 626157982 /nfs/dbraw/zinc/15/79/82/626157982.db2.gz ONXIBNSAZNNWNQ-INIZCTEOSA-N 2 1 298.430 3.279 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493201 626158590 /nfs/dbraw/zinc/15/85/90/626158590.db2.gz FKNGCPLETGMWBO-GOEBONIOSA-N 2 1 290.451 3.235 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000753661804 626461348 /nfs/dbraw/zinc/46/13/48/626461348.db2.gz HPTDUPSXGDVOIB-JYJNAYRXSA-N 2 1 290.451 3.445 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000753661804 626461350 /nfs/dbraw/zinc/46/13/50/626461350.db2.gz HPTDUPSXGDVOIB-JYJNAYRXSA-N 2 1 290.451 3.445 20 0 CGADMP CCCCC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121410566 634521018 /nfs/dbraw/zinc/52/10/18/634521018.db2.gz LUCNXMPICMQWEZ-KBPBESRZSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000762915807 627131568 /nfs/dbraw/zinc/13/15/68/627131568.db2.gz FYIDCDCJFFIZGQ-AWEZNQCLSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000762915807 627131571 /nfs/dbraw/zinc/13/15/71/627131571.db2.gz FYIDCDCJFFIZGQ-AWEZNQCLSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000764882040 627231518 /nfs/dbraw/zinc/23/15/18/627231518.db2.gz BFLIQYMSZSXYBK-KBXCAEBGSA-N 2 1 270.420 3.056 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000764966849 627234657 /nfs/dbraw/zinc/23/46/57/627234657.db2.gz OTTWSINLRVSLBK-WBAXXEDZSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000764966849 627234660 /nfs/dbraw/zinc/23/46/60/627234660.db2.gz OTTWSINLRVSLBK-WBAXXEDZSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CC(C(F)F)C2)([NH+](C)C)C1 ZINC000768687950 627493551 /nfs/dbraw/zinc/49/35/51/627493551.db2.gz NFGSAJITIWVREV-XZNOPERXSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCSC1 ZINC000769011943 627517040 /nfs/dbraw/zinc/51/70/40/627517040.db2.gz FLRYCCXEZWJMER-CABCVRRESA-N 2 1 270.486 3.126 20 0 CGADMP C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417584 628558771 /nfs/dbraw/zinc/55/87/71/628558771.db2.gz YFFJUSSQYYGKQG-HIFRSBDPSA-N 2 1 278.465 3.491 20 0 CGADMP C[NH+](C)C1CCN(c2ccc([NH2+]CC3(C)CC3)cc2)CC1 ZINC000785508624 628867858 /nfs/dbraw/zinc/86/78/58/628867858.db2.gz UGRYLFYWDRSQHK-UHFFFAOYSA-N 2 1 287.451 3.429 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000788480501 629058026 /nfs/dbraw/zinc/05/80/26/629058026.db2.gz KSZDEGOBZLILMI-WMLDXEAASA-N 2 1 290.426 3.345 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@]2(C)CCCS2)cc1 ZINC000862367164 629354131 /nfs/dbraw/zinc/35/41/31/629354131.db2.gz XWDHFUUKNZTTLV-KRWDZBQOSA-N 2 1 292.492 3.466 20 0 CGADMP FC(F)C1CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000793207991 629427575 /nfs/dbraw/zinc/42/75/75/629427575.db2.gz VZRWPLANKDNTPP-FHERZECASA-N 2 1 294.389 3.142 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795926471 629726716 /nfs/dbraw/zinc/72/67/16/629726716.db2.gz GGDLYNLKRNMWHK-KSZLIROESA-N 2 1 294.483 3.212 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000795926471 629726722 /nfs/dbraw/zinc/72/67/22/629726722.db2.gz GGDLYNLKRNMWHK-KSZLIROESA-N 2 1 294.483 3.212 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(C)(C)C ZINC000796770491 629829917 /nfs/dbraw/zinc/82/99/17/629829917.db2.gz DFVQFMNWXYHHEF-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000865405863 630107733 /nfs/dbraw/zinc/10/77/33/630107733.db2.gz AJSUQEFBPSFTJA-UHFFFAOYSA-N 2 1 278.827 3.365 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c1 ZINC000865437326 630124371 /nfs/dbraw/zinc/12/43/71/630124371.db2.gz HOGPQNXMBDSOTB-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000865437326 630124374 /nfs/dbraw/zinc/12/43/74/630124374.db2.gz HOGPQNXMBDSOTB-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806133050 630546228 /nfs/dbraw/zinc/54/62/28/630546228.db2.gz FTCDDFGEAQGIPB-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806133050 630546231 /nfs/dbraw/zinc/54/62/31/630546231.db2.gz FTCDDFGEAQGIPB-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP c1csc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000843386384 635656464 /nfs/dbraw/zinc/65/64/64/635656464.db2.gz GURAEDHIWHENHW-CABCVRRESA-N 2 1 278.465 3.002 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815561944 631795890 /nfs/dbraw/zinc/79/58/90/631795890.db2.gz TVLXWVHLLYMRKK-ZDUSSCGKSA-N 2 1 275.371 3.380 20 0 CGADMP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC000816648549 632036024 /nfs/dbraw/zinc/03/60/24/632036024.db2.gz MAQGKZURLWNCMY-CVEARBPZSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC000816648549 632036031 /nfs/dbraw/zinc/03/60/31/632036031.db2.gz MAQGKZURLWNCMY-CVEARBPZSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000816648549 632036037 /nfs/dbraw/zinc/03/60/37/632036037.db2.gz MAQGKZURLWNCMY-CVEARBPZSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000816648549 632036041 /nfs/dbraw/zinc/03/60/41/632036041.db2.gz MAQGKZURLWNCMY-CVEARBPZSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C(C1CCCC1)C1CCCC1 ZINC000817893836 632230574 /nfs/dbraw/zinc/23/05/74/632230574.db2.gz ITAFEDGXTNBOQF-RHSMWYFYSA-N 2 1 294.483 3.092 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000817979898 632270297 /nfs/dbraw/zinc/27/02/97/632270297.db2.gz PZKXCHVIFLGAQK-ZYHUDNBSSA-N 2 1 270.804 3.045 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccnc(Cl)c1 ZINC000817987184 632275681 /nfs/dbraw/zinc/27/56/81/632275681.db2.gz XLOLMSAIQAKTCW-DGCLKSJQSA-N 2 1 279.815 3.060 20 0 CGADMP CC(C)C[N@@H+](CCCOC(C)C)CC1CC[NH+](C)CC1 ZINC000879702614 635839309 /nfs/dbraw/zinc/83/93/09/635839309.db2.gz RYHCKCVRHFNLLD-UHFFFAOYSA-N 2 1 284.488 3.101 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC1(C)C ZINC000865830913 632904679 /nfs/dbraw/zinc/90/46/79/632904679.db2.gz VZBDSUJVXVJFOE-YNEHKIRRSA-N 2 1 290.373 3.346 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2cc(F)ccc2CC[C@H]1C ZINC000866251305 633045969 /nfs/dbraw/zinc/04/59/69/633045969.db2.gz RPTVGONGQYAFEP-PXAZEXFGSA-N 2 1 287.382 3.244 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866259354 633047357 /nfs/dbraw/zinc/04/73/57/633047357.db2.gz APESSIQYLJRXQD-WMZOPIPTSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000866341905 633089028 /nfs/dbraw/zinc/08/90/28/633089028.db2.gz PZNQMGFKZNEKOP-YVEFUNNKSA-N 2 1 287.382 3.015 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866365224 633103431 /nfs/dbraw/zinc/10/34/31/633103431.db2.gz QYUWHMCVGWRGCH-JKSUJKDBSA-N 2 1 277.456 3.113 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866365224 633103438 /nfs/dbraw/zinc/10/34/38/633103438.db2.gz QYUWHMCVGWRGCH-JKSUJKDBSA-N 2 1 277.456 3.113 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000121831343 633267549 /nfs/dbraw/zinc/26/75/49/633267549.db2.gz JTDLNZSZXVPBQT-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CCCCC1 ZINC000872019512 633939955 /nfs/dbraw/zinc/93/99/55/633939955.db2.gz ZCMRFTBNJIDXFA-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872071784 633993469 /nfs/dbraw/zinc/99/34/69/633993469.db2.gz XLFFWIAEDNDYCY-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872071784 633993473 /nfs/dbraw/zinc/99/34/73/633993473.db2.gz XLFFWIAEDNDYCY-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000846218214 636161134 /nfs/dbraw/zinc/16/11/34/636161134.db2.gz NCDOJTPSLLWAIR-UHFFFAOYSA-N 2 1 292.426 3.199 20 0 CGADMP Cc1ccc2c(ccc(C)c2C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000872141878 634064390 /nfs/dbraw/zinc/06/43/90/634064390.db2.gz XTKBHWFSBSLQGU-HNNXBMFYSA-N 2 1 268.404 3.237 20 0 CGADMP COCCCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156105 634066129 /nfs/dbraw/zinc/06/61/29/634066129.db2.gz DVWSOAYUAFMZOA-WBVHZDCISA-N 2 1 282.472 3.033 20 0 CGADMP CC(C)OCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157626 634068278 /nfs/dbraw/zinc/06/82/78/634068278.db2.gz OGTATETUXWPJIX-NVXWUHKLSA-N 2 1 282.472 3.031 20 0 CGADMP CCOCCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158282 634068913 /nfs/dbraw/zinc/06/89/13/634068913.db2.gz UQDFCTCERIKBFJ-WBVHZDCISA-N 2 1 282.472 3.033 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000873223780 634290250 /nfs/dbraw/zinc/29/02/50/634290250.db2.gz SCUZYMVXCDQDDD-INIZCTEOSA-N 2 1 293.480 3.217 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2coc3ccccc23)C[C@@H]1C(F)(F)F ZINC000873228753 634290376 /nfs/dbraw/zinc/29/03/76/634290376.db2.gz VCLSKWJCVONXNX-GWCFXTLKSA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc3ccccc23)C[C@@H]1C(F)(F)F ZINC000873228753 634290380 /nfs/dbraw/zinc/29/03/80/634290380.db2.gz VCLSKWJCVONXNX-GWCFXTLKSA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1C(F)(F)F ZINC000873228754 634290641 /nfs/dbraw/zinc/29/06/41/634290641.db2.gz VCLSKWJCVONXNX-GXFFZTMASA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1C(F)(F)F ZINC000873228754 634290654 /nfs/dbraw/zinc/29/06/54/634290654.db2.gz VCLSKWJCVONXNX-GXFFZTMASA-N 2 1 298.308 3.002 20 0 CGADMP CC1(C)CC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)[NH2+]C1 ZINC000873236675 634297252 /nfs/dbraw/zinc/29/72/52/634297252.db2.gz IDKUQTXXBUGBEC-BPCQOVAHSA-N 2 1 274.399 3.178 20 0 CGADMP CCC(CC)(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000873249173 634299584 /nfs/dbraw/zinc/29/95/84/634299584.db2.gz LJHXCSAKKZIREU-QWRGUYRKSA-N 2 1 266.351 3.085 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000873249172 634300501 /nfs/dbraw/zinc/30/05/01/634300501.db2.gz LJHXCSAKKZIREU-MNOVXSKESA-N 2 1 266.351 3.085 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)nc1 ZINC000840809103 635055826 /nfs/dbraw/zinc/05/58/26/635055826.db2.gz OTRPUKXVXBNYEP-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000841105459 635122283 /nfs/dbraw/zinc/12/22/83/635122283.db2.gz OKOBMSWOLUCEJW-ZBFHGGJFSA-N 2 1 250.430 3.031 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877744202 635180109 /nfs/dbraw/zinc/18/01/09/635180109.db2.gz PUMDAAGVAWJLAM-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877744202 635180112 /nfs/dbraw/zinc/18/01/12/635180112.db2.gz PUMDAAGVAWJLAM-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877744202 635180117 /nfs/dbraw/zinc/18/01/17/635180117.db2.gz PUMDAAGVAWJLAM-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877744202 635180121 /nfs/dbraw/zinc/18/01/21/635180121.db2.gz PUMDAAGVAWJLAM-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)C[N@H+](Cc1ccnc(F)c1)CC1CC[NH+](C)CC1 ZINC000877767446 635193478 /nfs/dbraw/zinc/19/34/78/635193478.db2.gz JQFBQODCWBXKRE-UHFFFAOYSA-N 2 1 293.430 3.021 20 0 CGADMP C[C@@]1(c2ccccc2)C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000842473067 635377180 /nfs/dbraw/zinc/37/71/80/635377180.db2.gz NHSCHMVEHFFPQF-SFHVURJKSA-N 2 1 290.451 3.143 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000842472649 635377488 /nfs/dbraw/zinc/37/74/88/635377488.db2.gz HEVCVBBXNZCDPJ-GOSISDBHSA-N 2 1 274.452 3.385 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878159870 635384598 /nfs/dbraw/zinc/38/45/98/635384598.db2.gz YCWSPAKOZURKRE-GJZGRUSLSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878159870 635384605 /nfs/dbraw/zinc/38/46/05/635384605.db2.gz YCWSPAKOZURKRE-GJZGRUSLSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878159870 635384616 /nfs/dbraw/zinc/38/46/16/635384616.db2.gz YCWSPAKOZURKRE-GJZGRUSLSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC000878159871 635385810 /nfs/dbraw/zinc/38/58/10/635385810.db2.gz YCWSPAKOZURKRE-HUUCEWRRSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878159871 635385819 /nfs/dbraw/zinc/38/58/19/635385819.db2.gz YCWSPAKOZURKRE-HUUCEWRRSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878159871 635385828 /nfs/dbraw/zinc/38/58/28/635385828.db2.gz YCWSPAKOZURKRE-HUUCEWRRSA-N 2 1 288.426 3.476 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCSC(C)(C)C)CC[C@@H]21 ZINC000878196565 635407642 /nfs/dbraw/zinc/40/76/42/635407642.db2.gz GETMKACLXYTBAU-CABCVRRESA-N 2 1 284.513 3.324 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCSC(C)(C)C)CC[C@@H]21 ZINC000878196565 635407653 /nfs/dbraw/zinc/40/76/53/635407653.db2.gz GETMKACLXYTBAU-CABCVRRESA-N 2 1 284.513 3.324 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCSC(C)(C)C)CC[C@@H]21 ZINC000878196565 635407663 /nfs/dbraw/zinc/40/76/63/635407663.db2.gz GETMKACLXYTBAU-CABCVRRESA-N 2 1 284.513 3.324 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3cccc(OC)c3o2)CC[C@@H]1[NH3+] ZINC000843052740 635549539 /nfs/dbraw/zinc/54/95/39/635549539.db2.gz SHDCTPHUALZOEG-WFASDCNBSA-N 2 1 288.391 3.001 20 0 CGADMP CCCCCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000843048585 635549697 /nfs/dbraw/zinc/54/96/97/635549697.db2.gz ISKVEFYOIAILOI-QGZVFWFLSA-N 2 1 290.451 3.426 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000843358266 635654155 /nfs/dbraw/zinc/65/41/55/635654155.db2.gz KAMCOWROPDMRKV-AWEZNQCLSA-N 2 1 286.341 3.452 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000843358266 635654158 /nfs/dbraw/zinc/65/41/58/635654158.db2.gz KAMCOWROPDMRKV-AWEZNQCLSA-N 2 1 286.341 3.452 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000844225335 635833240 /nfs/dbraw/zinc/83/32/40/635833240.db2.gz NTFDKYBJEBZRJN-CABCVRRESA-N 2 1 291.439 3.010 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000880472243 636007463 /nfs/dbraw/zinc/00/74/63/636007463.db2.gz HELJUXBDTKMAJD-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCC2(CCC2)O1 ZINC000880517894 636013177 /nfs/dbraw/zinc/01/31/77/636013177.db2.gz YNTNMHDGGKHPSS-QGZVFWFLSA-N 2 1 294.483 3.286 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000846218798 636161070 /nfs/dbraw/zinc/16/10/70/636161070.db2.gz WZYZKSFCPUVPQR-ROUUACIJSA-N 2 1 290.451 3.094 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883185619 636571108 /nfs/dbraw/zinc/57/11/08/636571108.db2.gz AVLLVEXJSPTVEO-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883186524 636572228 /nfs/dbraw/zinc/57/22/28/636572228.db2.gz UKCPTQKWSTYEBO-DZGCQCFKSA-N 2 1 261.413 3.140 20 0 CGADMP CC(C)CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883345403 636689840 /nfs/dbraw/zinc/68/98/40/636689840.db2.gz BMAMONSEHDWOBR-QGZVFWFLSA-N 2 1 273.424 3.039 20 0 CGADMP CC(C)c1cccc(NC(=[NH2+])NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000849004891 636712320 /nfs/dbraw/zinc/71/23/20/636712320.db2.gz GTUKJBZWOCGLON-AWEZNQCLSA-N 2 1 288.439 3.088 20 0 CGADMP [NH3+]C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000883430102 636754004 /nfs/dbraw/zinc/75/40/04/636754004.db2.gz NHHJYZNWBPMCCW-KGLIPLIRSA-N 2 1 274.399 3.309 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883435288 636754475 /nfs/dbraw/zinc/75/44/75/636754475.db2.gz OEVOGGQTTSOFFJ-DDBAPUKQSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CC(C)(C)OC1(C)C)CC[NH2+]CC2 ZINC000883433978 636754783 /nfs/dbraw/zinc/75/47/83/636754783.db2.gz DEJNZYJLIAPHFH-HUUCEWRRSA-N 2 1 294.483 3.044 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc2ccccc2nc1Cl ZINC000883441927 636758730 /nfs/dbraw/zinc/75/87/30/636758730.db2.gz ALTIXFCEWMEHRP-ZIAGYGMSSA-N 2 1 289.810 3.104 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000883461673 636761225 /nfs/dbraw/zinc/76/12/25/636761225.db2.gz AJIFDAAVCGKMLO-BFYDXBDKSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437366 637062795 /nfs/dbraw/zinc/06/27/95/637062795.db2.gz LVDFAFOHRQUOOW-JKIFEVAISA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437366 637062798 /nfs/dbraw/zinc/06/27/98/637062798.db2.gz LVDFAFOHRQUOOW-JKIFEVAISA-N 2 1 288.435 3.145 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886121009 637423125 /nfs/dbraw/zinc/42/31/25/637423125.db2.gz SKXUNJWJOLTPAI-OWCLPIDISA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886121009 637423130 /nfs/dbraw/zinc/42/31/30/637423130.db2.gz SKXUNJWJOLTPAI-OWCLPIDISA-N 2 1 270.461 3.044 20 0 CGADMP ClC(Cl)=CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000851860227 637524955 /nfs/dbraw/zinc/52/49/55/637524955.db2.gz HWYXJJOZAKCJGJ-WCQYABFASA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000851860227 637524963 /nfs/dbraw/zinc/52/49/63/637524963.db2.gz HWYXJJOZAKCJGJ-WCQYABFASA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000851860227 637524966 /nfs/dbraw/zinc/52/49/66/637524966.db2.gz HWYXJJOZAKCJGJ-WCQYABFASA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000851860227 637524972 /nfs/dbraw/zinc/52/49/72/637524972.db2.gz HWYXJJOZAKCJGJ-WCQYABFASA-N 2 1 289.250 3.254 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886520866 637551032 /nfs/dbraw/zinc/55/10/32/637551032.db2.gz OXUQZKICSQGKSX-AOCRQIFASA-N 3 1 295.515 3.103 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886520866 637551039 /nfs/dbraw/zinc/55/10/39/637551039.db2.gz OXUQZKICSQGKSX-AOCRQIFASA-N 3 1 295.515 3.103 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852748709 637705161 /nfs/dbraw/zinc/70/51/61/637705161.db2.gz ZIGHAOZJRYRCPH-MJGOQNOKSA-N 2 1 284.447 3.182 20 0 CGADMP Fc1cccc(F)c1[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000886860328 637715240 /nfs/dbraw/zinc/71/52/40/637715240.db2.gz ZXRHVOYJXBTNNX-KGLIPLIRSA-N 2 1 294.389 3.144 20 0 CGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873958 637715432 /nfs/dbraw/zinc/71/54/32/637715432.db2.gz CJJJMVCWPKICAJ-OLZOCXBDSA-N 2 1 291.266 3.036 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000887134756 637754740 /nfs/dbraw/zinc/75/47/40/637754740.db2.gz PRARKXVZDWMCHV-ZIAGYGMSSA-N 2 1 295.377 3.028 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc2c(c1)CCO2 ZINC000221917548 637765678 /nfs/dbraw/zinc/76/56/78/637765678.db2.gz JONHYXSKEGXLHC-KRWDZBQOSA-N 2 1 290.451 3.393 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242037 637792853 /nfs/dbraw/zinc/79/28/53/637792853.db2.gz ZNKVUCLDYBBYKP-IXDOHACOSA-N 2 1 264.457 3.133 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(OC)n1 ZINC000924577934 638366235 /nfs/dbraw/zinc/36/62/35/638366235.db2.gz JVXBGVLGUPXZEH-OAHLLOKOSA-N 2 1 291.439 3.007 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000924603956 638372437 /nfs/dbraw/zinc/37/24/37/638372437.db2.gz KQACABOPADEXHJ-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924683684 638388296 /nfs/dbraw/zinc/38/82/96/638388296.db2.gz HIPKAZGMERCTTG-MEWRGDBZSA-N 2 1 296.499 3.005 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000924720628 638394196 /nfs/dbraw/zinc/39/41/96/638394196.db2.gz JJMVGCUCLIOQPI-CHWSQXEVSA-N 2 1 279.428 3.064 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ncco2)c1 ZINC000924829586 638410046 /nfs/dbraw/zinc/41/00/46/638410046.db2.gz RARBYAJGJXCMRQ-AWEZNQCLSA-N 2 1 287.407 3.366 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000925137670 638459246 /nfs/dbraw/zinc/45/92/46/638459246.db2.gz ACSUVFDUYIPRTR-CWRNSKLLSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000925137670 638459253 /nfs/dbraw/zinc/45/92/53/638459253.db2.gz ACSUVFDUYIPRTR-CWRNSKLLSA-N 2 1 258.409 3.055 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(OC)n1 ZINC000925221613 638478750 /nfs/dbraw/zinc/47/87/50/638478750.db2.gz NKOIPPREKLQYAE-KFWWJZLASA-N 2 1 291.439 3.004 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(O)cc(F)c1 ZINC000925222321 638479075 /nfs/dbraw/zinc/47/90/75/638479075.db2.gz RLALZCLPOAMRKX-GLQYFDAESA-N 2 1 280.387 3.055 20 0 CGADMP CC(C)(C)c1csc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925499770 638511558 /nfs/dbraw/zinc/51/15/58/638511558.db2.gz UDLVEMVPWPKXMM-NEPJUHHUSA-N 2 1 295.496 3.436 20 0 CGADMP CC(C)(C)c1csc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925499772 638512269 /nfs/dbraw/zinc/51/22/69/638512269.db2.gz UDLVEMVPWPKXMM-RYUDHWBXSA-N 2 1 295.496 3.436 20 0 CGADMP Fc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925507645 638514518 /nfs/dbraw/zinc/51/45/18/638514518.db2.gz WQZCDIGCDQHXPM-NVXWUHKLSA-N 2 1 276.399 3.084 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000925566363 638531817 /nfs/dbraw/zinc/53/18/17/638531817.db2.gz HFUNIGHKWJPDOE-ZFWWWQNUSA-N 2 1 276.449 3.041 20 0 CGADMP c1ccc(SC2(C[NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925566184 638531884 /nfs/dbraw/zinc/53/18/84/638531884.db2.gz FRMKMAOYNJISTF-HNNXBMFYSA-N 2 1 288.460 3.186 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000925736054 638590511 /nfs/dbraw/zinc/59/05/11/638590511.db2.gz KQSPTVBYFNLZIH-QEJZJMRPSA-N 2 1 282.378 3.490 20 0 CGADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925736362 638590558 /nfs/dbraw/zinc/59/05/58/638590558.db2.gz MJQKXUWTCLIAFT-XJKSGUPXSA-N 2 1 288.435 3.050 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H](C1CC1)C(C)(C)C)C1CC1 ZINC000926561571 638785858 /nfs/dbraw/zinc/78/58/58/638785858.db2.gz ZELRSRMWJCXWSW-OAHLLOKOSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739641 638805756 /nfs/dbraw/zinc/80/57/56/638805756.db2.gz WOKNONLXOYUQMB-KSZLIROESA-N 2 1 296.499 3.028 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739723 638805863 /nfs/dbraw/zinc/80/58/63/638805863.db2.gz XXFGGPUKRWAFKD-MGNMYUMUSA-N 2 1 294.508 3.125 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC3(CCC3)O2)C[C@H]1C ZINC000929780136 638950599 /nfs/dbraw/zinc/95/05/99/638950599.db2.gz LCECFWJUBVUBIR-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC3(CCC3)O2)C[C@H]1C ZINC000929780136 638950601 /nfs/dbraw/zinc/95/06/01/638950601.db2.gz LCECFWJUBVUBIR-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCC3(CCC3)O2)C[C@H]1C ZINC000929780136 638950602 /nfs/dbraw/zinc/95/06/02/638950602.db2.gz LCECFWJUBVUBIR-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCC(C)(C)O2)cc1 ZINC000859213033 639110985 /nfs/dbraw/zinc/11/09/85/639110985.db2.gz QKLWCMYMSYGWOI-QGZVFWFLSA-N 2 1 290.451 3.138 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000931316510 639133066 /nfs/dbraw/zinc/13/30/66/639133066.db2.gz IODPPWCFILJYSU-CALCHBBNSA-N 2 1 292.854 3.156 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000931316510 639133069 /nfs/dbraw/zinc/13/30/69/639133069.db2.gz IODPPWCFILJYSU-CALCHBBNSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000931316510 639133072 /nfs/dbraw/zinc/13/30/72/639133072.db2.gz IODPPWCFILJYSU-CALCHBBNSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000931316510 639133075 /nfs/dbraw/zinc/13/30/75/639133075.db2.gz IODPPWCFILJYSU-CALCHBBNSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000931316512 639133269 /nfs/dbraw/zinc/13/32/69/639133269.db2.gz IODPPWCFILJYSU-IRXDYDNUSA-N 2 1 292.854 3.156 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931347828 639138814 /nfs/dbraw/zinc/13/88/14/639138814.db2.gz BENAUIREJRMWEN-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000931354121 639139403 /nfs/dbraw/zinc/13/94/03/639139403.db2.gz KCZWTLJVDCAWPT-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931351489 639139853 /nfs/dbraw/zinc/13/98/53/639139853.db2.gz OTTMPQQSKYTTPR-HNNXBMFYSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000859564456 639163828 /nfs/dbraw/zinc/16/38/28/639163828.db2.gz DUMHFVYUMBMZKX-KSSFIOAISA-N 2 1 298.434 3.354 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC000933740296 639485586 /nfs/dbraw/zinc/48/55/86/639485586.db2.gz IVBIPGWEZNQOSW-UXHICEINSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC000933740296 639485591 /nfs/dbraw/zinc/48/55/91/639485591.db2.gz IVBIPGWEZNQOSW-UXHICEINSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC000933740296 639485597 /nfs/dbraw/zinc/48/55/97/639485597.db2.gz IVBIPGWEZNQOSW-UXHICEINSA-N 2 1 294.442 3.266 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000415142059 640860051 /nfs/dbraw/zinc/86/00/51/640860051.db2.gz QRCSPVFMABHWBJ-CEXWTWQISA-N 2 1 284.447 3.325 20 0 CGADMP C[N@@H+]1CCC[C@H](CCNc2ccc3c([nH+]2)CCCC3)C1 ZINC001156377805 805680245 /nfs/dbraw/zinc/68/02/45/805680245.db2.gz GGGFBOYOLOINTI-CQSZACIVSA-N 2 1 273.424 3.104 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2ccc3c([nH+]2)CCCC3)C1 ZINC001156377805 805680251 /nfs/dbraw/zinc/68/02/51/805680251.db2.gz GGGFBOYOLOINTI-CQSZACIVSA-N 2 1 273.424 3.104 20 0 CGADMP Cc1cc(C)nc(N(C)CC[N@@H+](C)Cc2ccccc2)c1 ZINC001157551421 805832122 /nfs/dbraw/zinc/83/21/22/805832122.db2.gz CBIZTDLQMITYGA-UHFFFAOYSA-N 2 1 283.419 3.267 20 0 CGADMP Cc1cc(C)[nH+]c(N(C)CC[N@H+](C)Cc2ccccc2)c1 ZINC001157551421 805832132 /nfs/dbraw/zinc/83/21/32/805832132.db2.gz CBIZTDLQMITYGA-UHFFFAOYSA-N 2 1 283.419 3.267 20 0 CGADMP Cc1cc(C)[nH+]c(N(C)CC[N@@H+](C)Cc2ccccc2)c1 ZINC001157551421 805832142 /nfs/dbraw/zinc/83/21/42/805832142.db2.gz CBIZTDLQMITYGA-UHFFFAOYSA-N 2 1 283.419 3.267 20 0 CGADMP CCC[NH+]1C[C@@H]2CN(c3[nH+]c(C)cc4ccccc43)C[C@H]2C1 ZINC001157691895 805852591 /nfs/dbraw/zinc/85/25/91/805852591.db2.gz LXTPDSJRHUQWOK-IAGOWNOFSA-N 2 1 295.430 3.321 20 0 CGADMP Cc1c[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c(N)c1 ZINC001159395087 806094455 /nfs/dbraw/zinc/09/44/55/806094455.db2.gz BZLUHUDXHNGUSB-UHFFFAOYSA-N 2 1 276.428 3.036 20 0 CGADMP Clc1cc2ns[nH]c-2cc1=[NH+]C1=CCC[NH2+]CC1 ZINC001159946865 806201975 /nfs/dbraw/zinc/20/19/75/806201975.db2.gz ZOWMGJINRCSVSQ-UHFFFAOYSA-N 2 1 280.784 3.024 20 0 CGADMP CCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253533396 806237719 /nfs/dbraw/zinc/23/77/19/806237719.db2.gz QPQHDSHJPHCBKH-ZWKOTPCHSA-N 2 1 296.499 3.268 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC001254185162 806359466 /nfs/dbraw/zinc/35/94/66/806359466.db2.gz WDLMSBUEQKNFBR-IKGGRYGDSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCc2ccccc2CC1 ZINC001254460483 806409982 /nfs/dbraw/zinc/40/99/82/806409982.db2.gz JVXLNKSIRIFVIR-UHFFFAOYSA-N 2 1 286.463 3.352 20 0 CGADMP Cc1[nH+]c(NCc2[nH+]cn3ccccc23)cc2[nH]ccc21 ZINC001161685090 806418608 /nfs/dbraw/zinc/41/86/08/806418608.db2.gz AWJCYZJDVXAVNO-UHFFFAOYSA-N 2 1 277.331 3.131 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC001254497788 806419025 /nfs/dbraw/zinc/41/90/25/806419025.db2.gz MTAAPPUFGOCRCK-CQSZACIVSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC001254497788 806419030 /nfs/dbraw/zinc/41/90/30/806419030.db2.gz MTAAPPUFGOCRCK-CQSZACIVSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2coc3ccccc23)CC1 ZINC001254506009 806425044 /nfs/dbraw/zinc/42/50/44/806425044.db2.gz NLEBZJDJYJXXFF-OAHLLOKOSA-N 2 1 272.392 3.049 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001254514036 806434254 /nfs/dbraw/zinc/43/42/54/806434254.db2.gz IPFSXLZVGMXWEY-CYBMUJFWSA-N 2 1 281.831 3.044 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001254514036 806434258 /nfs/dbraw/zinc/43/42/58/806434258.db2.gz IPFSXLZVGMXWEY-CYBMUJFWSA-N 2 1 281.831 3.044 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001254519682 806436610 /nfs/dbraw/zinc/43/66/10/806436610.db2.gz JVMVFVBMQWJFMK-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001254519682 806436612 /nfs/dbraw/zinc/43/66/12/806436612.db2.gz JVMVFVBMQWJFMK-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3C[C@@](C)([NH3+])C3)[nH+]c2c1C ZINC001162329030 806555328 /nfs/dbraw/zinc/55/53/28/806555328.db2.gz XIMCEUZHLYFSDW-XFHMXUHZSA-N 2 1 269.392 3.452 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc12 ZINC001162392416 806575096 /nfs/dbraw/zinc/57/50/96/806575096.db2.gz QBKMEZVAZBCUEV-CHWSQXEVSA-N 2 1 255.365 3.225 20 0 CGADMP CC1([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255380493 806627869 /nfs/dbraw/zinc/62/78/69/806627869.db2.gz KTALDEPETHUABC-INIZCTEOSA-N 2 1 258.409 3.183 20 0 CGADMP COCC(C)(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384246 806630984 /nfs/dbraw/zinc/63/09/84/806630984.db2.gz WMBXIYPHBFCXQS-QGZVFWFLSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399699 806631949 /nfs/dbraw/zinc/63/19/49/806631949.db2.gz XVLSYRFURACHDP-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399699 806631955 /nfs/dbraw/zinc/63/19/55/806631955.db2.gz XVLSYRFURACHDP-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399699 806631958 /nfs/dbraw/zinc/63/19/58/806631958.db2.gz XVLSYRFURACHDP-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccn3c[nH+]cc23)c1 ZINC001162907717 806683304 /nfs/dbraw/zinc/68/33/04/806683304.db2.gz GFXOLYPBKIIDOY-GFCCVEGCSA-N 2 1 276.343 3.298 20 0 CGADMP C[C@H]([NH3+])c1nc2ccccc2n1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255663379 806698642 /nfs/dbraw/zinc/69/86/42/806698642.db2.gz GMOQZPJBHOAGRT-RDGKXADDSA-N 2 1 298.434 3.244 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255672312 806700970 /nfs/dbraw/zinc/70/09/70/806700970.db2.gz AQCZHYGAJPYFOF-PHSGOXPASA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255672312 806700974 /nfs/dbraw/zinc/70/09/74/806700974.db2.gz AQCZHYGAJPYFOF-PHSGOXPASA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ccccc1C[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680564 806703706 /nfs/dbraw/zinc/70/37/06/806703706.db2.gz ZWIZQLHHTUMFHT-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccccc1C[N@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680564 806703713 /nfs/dbraw/zinc/70/37/13/806703713.db2.gz ZWIZQLHHTUMFHT-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccccc1C[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680564 806703716 /nfs/dbraw/zinc/70/37/16/806703716.db2.gz ZWIZQLHHTUMFHT-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccccc1C[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680564 806703723 /nfs/dbraw/zinc/70/37/23/806703723.db2.gz ZWIZQLHHTUMFHT-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP C[N@H+](CCc1cccs1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680029 806704250 /nfs/dbraw/zinc/70/42/50/806704250.db2.gz DORVHGCJKPKJRZ-YIONKMFJSA-N 2 1 278.465 3.238 20 0 CGADMP C[N@@H+](CCc1cccs1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680029 806704254 /nfs/dbraw/zinc/70/42/54/806704254.db2.gz DORVHGCJKPKJRZ-YIONKMFJSA-N 2 1 278.465 3.238 20 0 CGADMP C[NH+](CCc1cccs1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680029 806704257 /nfs/dbraw/zinc/70/42/57/806704257.db2.gz DORVHGCJKPKJRZ-YIONKMFJSA-N 2 1 278.465 3.238 20 0 CGADMP C[NH+](CCc1cccs1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680029 806704261 /nfs/dbraw/zinc/70/42/61/806704261.db2.gz DORVHGCJKPKJRZ-YIONKMFJSA-N 2 1 278.465 3.238 20 0 CGADMP C[NH+](C)C1CC[NH+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255708715 806713789 /nfs/dbraw/zinc/71/37/89/806713789.db2.gz NPEYNKCXXKEQOB-DGCLKSJQSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000235365555 799144488 /nfs/dbraw/zinc/14/44/88/799144488.db2.gz SWORQSAPUSJQNM-TZMCWYRMSA-N 2 1 266.816 3.160 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CSc1ccc(F)cc1 ZINC001255729640 806724560 /nfs/dbraw/zinc/72/45/60/806724560.db2.gz IIQKWTQLGHQWRV-LBPRGKRZSA-N 2 1 293.411 3.185 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000314660046 799234418 /nfs/dbraw/zinc/23/44/18/799234418.db2.gz OOZJBPXNOGYVOQ-DNVCBOLYSA-N 2 1 280.415 3.240 20 0 CGADMP Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Cl)n1 ZINC000320958884 799247622 /nfs/dbraw/zinc/24/76/22/799247622.db2.gz UFVWZDCUMLXVOC-YIONKMFJSA-N 2 1 293.842 3.100 20 0 CGADMP CCCc1cc(NC2CCC(C[NH+](C)C)CC2)nc(C)[nH+]1 ZINC001163301452 806738134 /nfs/dbraw/zinc/73/81/34/806738134.db2.gz CAYZNTTVPJXSFR-UHFFFAOYSA-N 2 1 290.455 3.270 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+])cc1 ZINC001255755470 806738350 /nfs/dbraw/zinc/73/83/50/806738350.db2.gz LJDDZZHXIYHXES-KBPBESRZSA-N 2 1 266.454 3.002 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001255759949 806739166 /nfs/dbraw/zinc/73/91/66/806739166.db2.gz FFXMNUREWUUWSW-ZOBUZTSGSA-N 2 1 292.492 3.405 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001255759949 806739172 /nfs/dbraw/zinc/73/91/72/806739172.db2.gz FFXMNUREWUUWSW-ZOBUZTSGSA-N 2 1 292.492 3.405 20 0 CGADMP Cc1c[nH+]ccc1NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000381086857 799372086 /nfs/dbraw/zinc/37/20/86/799372086.db2.gz VIRDYNWOWJLNTE-LJQANCHMSA-N 2 1 295.430 3.136 20 0 CGADMP C[C@H]([NH2+]C/C=C\Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381799686 799387107 /nfs/dbraw/zinc/38/71/07/799387107.db2.gz RSDGXOVFPVMQFX-PCKHISNJSA-N 2 1 278.827 3.239 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C(CC(C)C)CC(C)C ZINC000385284134 799424593 /nfs/dbraw/zinc/42/45/93/799424593.db2.gz UKWZDIOOLPPQGN-UHFFFAOYSA-N 2 1 251.418 3.242 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)ccc2c1 ZINC000387250878 799444410 /nfs/dbraw/zinc/44/44/10/799444410.db2.gz LYLMKVFEEFGCSW-GDBMZVCRSA-N 2 1 298.430 3.408 20 0 CGADMP C[N@@H+](CCOc1ccc2ccccc2c1)C1CCC([NH3+])CC1 ZINC000388478268 799454015 /nfs/dbraw/zinc/45/40/15/799454015.db2.gz BCQJQYCPYFAGHP-UHFFFAOYSA-N 2 1 298.430 3.420 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c2ccccc12 ZINC000388463153 799454110 /nfs/dbraw/zinc/45/41/10/799454110.db2.gz HNNXOWZAARMRTN-CABCVRRESA-N 2 1 298.430 3.408 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000401529763 799555464 /nfs/dbraw/zinc/55/54/64/799555464.db2.gz AFGOBJINFPIHSG-WBVHZDCISA-N 2 1 290.527 3.364 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000401529763 799555468 /nfs/dbraw/zinc/55/54/68/799555468.db2.gz AFGOBJINFPIHSG-WBVHZDCISA-N 2 1 290.527 3.364 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001255850788 806766900 /nfs/dbraw/zinc/76/69/00/806766900.db2.gz IEOQAJKTZXJJEQ-CQSZACIVSA-N 2 1 278.415 3.030 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC(C)(C)C1 ZINC000687963515 799743781 /nfs/dbraw/zinc/74/37/81/799743781.db2.gz XRFNRACTPNUWPJ-UHFFFAOYSA-N 2 1 264.438 3.014 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCC[NH2+]C1 ZINC000697086689 799842965 /nfs/dbraw/zinc/84/29/65/799842965.db2.gz LPOVQWSLYMNCLI-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCC[NH2+]C1 ZINC000697086689 799842972 /nfs/dbraw/zinc/84/29/72/799842972.db2.gz LPOVQWSLYMNCLI-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CS[C@H]1CC[C@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707271606 799977010 /nfs/dbraw/zinc/97/70/10/799977010.db2.gz SOTOMCSWYUWUKU-AQBKWJQSSA-N 2 1 282.497 3.123 20 0 CGADMP C(C[N@H+]1CC[C@@H](C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000708823684 799994796 /nfs/dbraw/zinc/99/47/96/799994796.db2.gz WXWMATIKUQYDSE-SJORKVTESA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709806489 800017983 /nfs/dbraw/zinc/01/79/83/800017983.db2.gz DJELYGMQCQJXRV-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709893817 800021238 /nfs/dbraw/zinc/02/12/38/800021238.db2.gz VHTYYQVPIDDGAQ-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709893817 800021239 /nfs/dbraw/zinc/02/12/39/800021239.db2.gz VHTYYQVPIDDGAQ-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCc2cc(C)ncc21 ZINC001255954299 806796933 /nfs/dbraw/zinc/79/69/33/806796933.db2.gz SWCCZFAPIKILDI-GUYCJALGSA-N 2 1 275.440 3.087 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CC(F)C2)CC1 ZINC001255956495 806798502 /nfs/dbraw/zinc/79/85/02/806798502.db2.gz KSGSTQXEQSMLOY-AWEZNQCLSA-N 2 1 270.436 3.321 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001255960271 806799992 /nfs/dbraw/zinc/79/99/92/806799992.db2.gz GHYQXQUZCRAWRD-RDJZCZTQSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]1c1ccncc1 ZINC001255960271 806799999 /nfs/dbraw/zinc/79/99/99/806799999.db2.gz GHYQXQUZCRAWRD-RDJZCZTQSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCc1ccccc1F ZINC001255972237 806803998 /nfs/dbraw/zinc/80/39/98/806803998.db2.gz NTUOTTGTPDRPRP-HNNXBMFYSA-N 2 1 280.431 3.420 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000716330535 800168568 /nfs/dbraw/zinc/16/85/68/800168568.db2.gz YLYPAAGUMPXDHT-PWSUYJOCSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716720978 800179444 /nfs/dbraw/zinc/17/94/44/800179444.db2.gz ZDMHTRKGAJWCDY-XIVBQZFQSA-N 2 1 284.447 3.428 20 0 CGADMP CC(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256070114 806810948 /nfs/dbraw/zinc/81/09/48/806810948.db2.gz ZQYYMBJWOXQZTM-ZDUSSCGKSA-N 2 1 286.419 3.167 20 0 CGADMP Cc1ccccc1C[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256078568 806815015 /nfs/dbraw/zinc/81/50/15/806815015.db2.gz ZKLNNWCYMKSWPP-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP Cc1ccccc1C[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256078568 806815025 /nfs/dbraw/zinc/81/50/25/806815025.db2.gz ZKLNNWCYMKSWPP-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP C[N@H+](CCc1ccccc1Cl)C1CC[NH+](C2CC2)CC1 ZINC001256080612 806815133 /nfs/dbraw/zinc/81/51/33/806815133.db2.gz ZZQQSWMHKQQKLZ-UHFFFAOYSA-N 2 1 292.854 3.441 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)C1CC[NH+](C2CC2)CC1 ZINC001256080612 806815139 /nfs/dbraw/zinc/81/51/39/806815139.db2.gz ZZQQSWMHKQQKLZ-UHFFFAOYSA-N 2 1 292.854 3.441 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723885035 800343082 /nfs/dbraw/zinc/34/30/82/800343082.db2.gz YILXXNQJFNLQRJ-NQBHXWOUSA-N 2 1 284.806 3.457 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC)cc2)C1 ZINC000724712088 800365466 /nfs/dbraw/zinc/36/54/66/800365466.db2.gz ZYAPTJAYLZGDTG-KRWDZBQOSA-N 2 1 292.492 3.371 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@H](C)Cc2cccc(OC)c2)CC1 ZINC001256169460 806841714 /nfs/dbraw/zinc/84/17/14/806841714.db2.gz KBFYHJRWGBNNHL-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)Cc2cccc(OC)c2)CC1 ZINC001256169460 806841722 /nfs/dbraw/zinc/84/17/22/806841722.db2.gz KBFYHJRWGBNNHL-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP CN1CCC([N@H+]2CCCC[C@@H]2c2ccccc2F)CC1 ZINC001256207517 806849622 /nfs/dbraw/zinc/84/96/22/806849622.db2.gz KZFIYWSDVACIMH-QGZVFWFLSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC(N2CCCC[C@@H]2c2ccccc2F)CC1 ZINC001256207517 806849625 /nfs/dbraw/zinc/84/96/25/806849625.db2.gz KZFIYWSDVACIMH-QGZVFWFLSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001256201636 806850119 /nfs/dbraw/zinc/85/01/19/806850119.db2.gz JKPDINRJHDKZMI-UHFFFAOYSA-N 2 1 299.418 3.101 20 0 CGADMP CN1CCC([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001256208528 806850699 /nfs/dbraw/zinc/85/06/99/806850699.db2.gz KNVJROFPIIFUNB-AWEZNQCLSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001256208528 806850705 /nfs/dbraw/zinc/85/07/05/806850705.db2.gz KNVJROFPIIFUNB-AWEZNQCLSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001256208528 806850715 /nfs/dbraw/zinc/85/07/15/806850715.db2.gz KNVJROFPIIFUNB-AWEZNQCLSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC001256211004 806851581 /nfs/dbraw/zinc/85/15/81/806851581.db2.gz POJJPCTXPACVOA-UHFFFAOYSA-N 2 1 290.426 3.174 20 0 CGADMP CCOC1CCC([N@@H+](C(C)C)C2CCN(C)CC2)CC1 ZINC001256446510 806901314 /nfs/dbraw/zinc/90/13/14/806901314.db2.gz FOAHDTYRZYIYGM-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@H]([NH3+])c1nccn1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521119 806909108 /nfs/dbraw/zinc/90/91/08/806909108.db2.gz ZUNCAQTVRVPOEB-YQQAZPJKSA-N 2 1 298.434 3.128 20 0 CGADMP CC(C)[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537836 806913127 /nfs/dbraw/zinc/91/31/27/806913127.db2.gz PEAFFCNSPONPLK-RDJZCZTQSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537836 806913131 /nfs/dbraw/zinc/91/31/31/806913131.db2.gz PEAFFCNSPONPLK-RDJZCZTQSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537836 806913134 /nfs/dbraw/zinc/91/31/34/806913134.db2.gz PEAFFCNSPONPLK-RDJZCZTQSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537836 806913136 /nfs/dbraw/zinc/91/31/36/806913136.db2.gz PEAFFCNSPONPLK-RDJZCZTQSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001256569600 806917660 /nfs/dbraw/zinc/91/76/60/806917660.db2.gz LMEUHHHNPMLCDP-OCCSQVGLSA-N 2 1 286.410 3.226 20 0 CGADMP C[N@@H+](CC1CC(F)(F)C1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573661 806919258 /nfs/dbraw/zinc/91/92/58/806919258.db2.gz LWSXTRHAHOLRAM-UHFFFAOYSA-N 2 1 274.399 3.226 20 0 CGADMP COc1cccc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256621148 806928491 /nfs/dbraw/zinc/92/84/91/806928491.db2.gz LAKWCZNJZXVWRP-LNRIEFBSSA-N 2 1 288.435 3.014 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001258058011 807280192 /nfs/dbraw/zinc/28/01/92/807280192.db2.gz UYFWKJBMMGFMDM-OWCLPIDISA-N 2 1 254.462 3.379 20 0 CGADMP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC001116542150 802373859 /nfs/dbraw/zinc/37/38/59/802373859.db2.gz KSIHODDQXUVXSO-AWEZNQCLSA-N 2 1 280.481 3.485 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172382152 808274920 /nfs/dbraw/zinc/27/49/20/808274920.db2.gz JQYNGPLCLYFULD-ARFHVFGLSA-N 2 1 254.462 3.475 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC001117633122 802472341 /nfs/dbraw/zinc/47/23/41/802472341.db2.gz NVDORJTVRIMLDN-CVEARBPZSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC001117633122 802472346 /nfs/dbraw/zinc/47/23/46/802472346.db2.gz NVDORJTVRIMLDN-CVEARBPZSA-N 2 1 262.441 3.244 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cc(C)ccc1OC ZINC001118057704 802520964 /nfs/dbraw/zinc/52/09/64/802520964.db2.gz GIPNTVGMERDLLE-HIFRSBDPSA-N 2 1 264.413 3.042 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC001118122238 802527320 /nfs/dbraw/zinc/52/73/20/802527320.db2.gz RVMBUTYOWWRYQY-IAQYHMDHSA-N 2 1 250.386 3.017 20 0 CGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc2ncccc12 ZINC001119246106 802637619 /nfs/dbraw/zinc/63/76/19/802637619.db2.gz YBWKQGDZLSOGRE-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ncccc12 ZINC001119246106 802637623 /nfs/dbraw/zinc/63/76/23/802637623.db2.gz YBWKQGDZLSOGRE-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ncccc12 ZINC001119246106 802637627 /nfs/dbraw/zinc/63/76/27/802637627.db2.gz YBWKQGDZLSOGRE-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2ncccc12 ZINC001119246106 802637632 /nfs/dbraw/zinc/63/76/32/802637632.db2.gz YBWKQGDZLSOGRE-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2ncccc12 ZINC001119246106 802637637 /nfs/dbraw/zinc/63/76/37/802637637.db2.gz YBWKQGDZLSOGRE-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc2ncccc12 ZINC001119246107 802638112 /nfs/dbraw/zinc/63/81/12/802638112.db2.gz YBWKQGDZLSOGRE-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ncccc12 ZINC001119246107 802638118 /nfs/dbraw/zinc/63/81/18/802638118.db2.gz YBWKQGDZLSOGRE-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ncccc12 ZINC001119246107 802638122 /nfs/dbraw/zinc/63/81/22/802638122.db2.gz YBWKQGDZLSOGRE-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2ncccc12 ZINC001119246107 802638127 /nfs/dbraw/zinc/63/81/27/802638127.db2.gz YBWKQGDZLSOGRE-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2ncccc12 ZINC001119246107 802638130 /nfs/dbraw/zinc/63/81/30/802638130.db2.gz YBWKQGDZLSOGRE-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C(C1CC1)C1([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256907540 807008026 /nfs/dbraw/zinc/00/80/26/807008026.db2.gz DBXRIWKOCXIVDI-HNNXBMFYSA-N 2 1 262.441 3.316 20 0 CGADMP C(C1CC1)C1([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256907540 807008033 /nfs/dbraw/zinc/00/80/33/807008033.db2.gz DBXRIWKOCXIVDI-HNNXBMFYSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(C)(C)C ZINC001206809596 813443237 /nfs/dbraw/zinc/44/32/37/813443237.db2.gz LYPDGWDHWUJAIC-HUUCEWRRSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001206809955 813443596 /nfs/dbraw/zinc/44/35/96/813443596.db2.gz MPQBZTSJGHPSJN-RDJZCZTQSA-N 2 1 290.451 3.341 20 0 CGADMP Nc1[nH]c2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cc2[nH+]1 ZINC001245355668 803710256 /nfs/dbraw/zinc/71/02/56/803710256.db2.gz KZSHUBJYZVIAKC-AWEZNQCLSA-N 2 1 278.359 3.237 20 0 CGADMP Cc1ccc2[nH]c(CN3CC[C@@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001138418491 803926063 /nfs/dbraw/zinc/92/60/63/803926063.db2.gz VBZBAXXUSVTINI-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC001138418491 803926067 /nfs/dbraw/zinc/92/60/67/803926067.db2.gz VBZBAXXUSVTINI-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001138418491 803926073 /nfs/dbraw/zinc/92/60/73/803926073.db2.gz VBZBAXXUSVTINI-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001138418491 803926080 /nfs/dbraw/zinc/92/60/80/803926080.db2.gz VBZBAXXUSVTINI-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001138418491 803926087 /nfs/dbraw/zinc/92/60/87/803926087.db2.gz VBZBAXXUSVTINI-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP CCO[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138547516 803963789 /nfs/dbraw/zinc/96/37/89/803963789.db2.gz NTGISHSBTIRNJX-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP CCO[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138547516 803963791 /nfs/dbraw/zinc/96/37/91/803963791.db2.gz NTGISHSBTIRNJX-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP C[NH+]1CCC2(C[NH+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC001138675263 804002050 /nfs/dbraw/zinc/00/20/50/804002050.db2.gz PXSNYLFSDYVQAU-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP CCCOc1ccccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001138999029 804105054 /nfs/dbraw/zinc/10/50/54/804105054.db2.gz VIQCTFVHLNDULB-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001138999029 804105057 /nfs/dbraw/zinc/10/50/57/804105057.db2.gz VIQCTFVHLNDULB-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001138999029 804105059 /nfs/dbraw/zinc/10/50/59/804105059.db2.gz VIQCTFVHLNDULB-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001138999029 804105062 /nfs/dbraw/zinc/10/50/62/804105062.db2.gz VIQCTFVHLNDULB-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001138999029 804105067 /nfs/dbraw/zinc/10/50/67/804105067.db2.gz VIQCTFVHLNDULB-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC001246073247 804110765 /nfs/dbraw/zinc/11/07/65/804110765.db2.gz VWJQNIGFALWUPF-HNNXBMFYSA-N 2 1 268.404 3.364 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246091377 804123377 /nfs/dbraw/zinc/12/33/77/804123377.db2.gz PTNVSAXHKKEGAH-NWDGAFQWSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@]1([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC001246092383 804124205 /nfs/dbraw/zinc/12/42/05/804124205.db2.gz BQZHNHLGDWDGPH-ZACQAIPSSA-N 2 1 258.409 3.054 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001246094492 804127208 /nfs/dbraw/zinc/12/72/08/804127208.db2.gz FOQSHRSMUIBHOK-YCPHGPKFSA-N 2 1 278.465 3.063 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246097767 804129475 /nfs/dbraw/zinc/12/94/75/804129475.db2.gz MRAPRHNXYVZZRM-DOMZBBRYSA-N 2 1 282.378 3.221 20 0 CGADMP CCn1ccc2ccc(C[N@H+](C)C3CC[NH+](C)CC3)cc21 ZINC001139119434 804130655 /nfs/dbraw/zinc/13/06/55/804130655.db2.gz PIVMPVVAOWXUOA-UHFFFAOYSA-N 2 1 285.435 3.187 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)C3CC[NH+](C)CC3)cc21 ZINC001139119434 804130657 /nfs/dbraw/zinc/13/06/57/804130657.db2.gz PIVMPVVAOWXUOA-UHFFFAOYSA-N 2 1 285.435 3.187 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246112070 804142729 /nfs/dbraw/zinc/14/27/29/804142729.db2.gz KKPXAGPKMVPAQL-CZUORRHYSA-N 2 1 298.833 3.342 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2c1ccn2C ZINC001139163498 804146866 /nfs/dbraw/zinc/14/68/66/804146866.db2.gz LZGIEPSOULXCMZ-UHFFFAOYSA-N 2 1 287.451 3.342 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246118004 804149891 /nfs/dbraw/zinc/14/98/91/804149891.db2.gz UZGBQKWGQPQVLS-FMSQNYNMSA-N 2 1 299.245 3.048 20 0 CGADMP CCCC[C@@H](CCC)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160615 804177475 /nfs/dbraw/zinc/17/74/75/804177475.db2.gz NTOAXGARVAVOKG-BRWVUGGUSA-N 2 1 282.472 3.236 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162086 804178890 /nfs/dbraw/zinc/17/88/90/804178890.db2.gz XBMSELFFKLNWAW-BRWVUGGUSA-N 2 1 282.472 3.092 20 0 CGADMP CC(C)[NH+](CC[NH2+]C1CCC2(CCC[NH2+]C2)CC1)C(C)C ZINC001246176652 804190921 /nfs/dbraw/zinc/19/09/21/804190921.db2.gz NKMMMBPFNVVIAL-UHFFFAOYSA-N 3 1 295.515 3.007 20 0 CGADMP C[C@@H](C[NH3+])[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246198326 804205670 /nfs/dbraw/zinc/20/56/70/804205670.db2.gz FMCLPAXIXZDLHG-ZOODHJKOSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCSCc2ccccc2Cl)CN1 ZINC001246205495 804206787 /nfs/dbraw/zinc/20/67/87/804206787.db2.gz ULYODTBLOBCVEM-TZMCWYRMSA-N 2 1 298.883 3.303 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCSCc2ccccc2Cl)C[NH2+]1 ZINC001246205495 804206795 /nfs/dbraw/zinc/20/67/95/804206795.db2.gz ULYODTBLOBCVEM-TZMCWYRMSA-N 2 1 298.883 3.303 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CC[NH2+][C@H](CC)C1 ZINC001246210167 804208620 /nfs/dbraw/zinc/20/86/20/804208620.db2.gz CJRTXZYJYJFSKA-MSOLQXFVSA-N 3 1 297.531 3.399 20 0 CGADMP CCCC[C@H](CC)COCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246218021 804213495 /nfs/dbraw/zinc/21/34/95/804213495.db2.gz YMTIEOSGZIHIKK-IKGGRYGDSA-N 2 1 284.488 3.340 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC001246256161 804241273 /nfs/dbraw/zinc/24/12/73/804241273.db2.gz NWCXESUZAZITAG-GWCFXTLKSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CN1 ZINC001246264252 804246109 /nfs/dbraw/zinc/24/61/09/804246109.db2.gz HWCMPXANGZTSGO-HZMBPMFUSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC001246264252 804246117 /nfs/dbraw/zinc/24/61/17/804246117.db2.gz HWCMPXANGZTSGO-HZMBPMFUSA-N 2 1 287.234 3.266 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C(C)C)C1)c1ccc(C)o1 ZINC001246306854 804270321 /nfs/dbraw/zinc/27/03/21/804270321.db2.gz LRRHQIFKYDBBBL-ZNMIVQPWSA-N 2 1 264.413 3.405 20 0 CGADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246316628 804277614 /nfs/dbraw/zinc/27/76/14/804277614.db2.gz ILHMVSTUGSPPNS-ZBFHGGJFSA-N 2 1 294.414 3.091 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246326541 804281775 /nfs/dbraw/zinc/28/17/75/804281775.db2.gz PYKZQALPPLGITM-ZOWXZIJZSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)CC(C)(C)C1 ZINC001246325277 804282380 /nfs/dbraw/zinc/28/23/80/804282380.db2.gz JPJMCMFPURQSNB-MGPQQGTHSA-N 2 1 252.446 3.179 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246327930 804284342 /nfs/dbraw/zinc/28/43/42/804284342.db2.gz VGANSJSPKUHJGM-SPUZQDLCSA-N 2 1 272.436 3.443 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2Cl)CC[NH2+]1 ZINC001246342724 804294546 /nfs/dbraw/zinc/29/45/46/804294546.db2.gz JGYBUUJBLPINMZ-ZIAGYGMSSA-N 2 1 266.816 3.269 20 0 CGADMP Cc1ccc(Cl)c(CC[NH2+][C@@H]2CCCC[NH2+]C2)c1F ZINC001246342144 804294954 /nfs/dbraw/zinc/29/49/54/804294954.db2.gz FSBZYKVXHNYMIB-GFCCVEGCSA-N 2 1 284.806 3.062 20 0 CGADMP Cn1c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc2ccccc21 ZINC001139871659 804302981 /nfs/dbraw/zinc/30/29/81/804302981.db2.gz KDSXECRXYXFQME-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246357980 804304442 /nfs/dbraw/zinc/30/44/42/804304442.db2.gz BQMBHNLMLQXLSQ-XLNGHYISSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C[NH2+]1 ZINC001246382956 804313657 /nfs/dbraw/zinc/31/36/57/804313657.db2.gz GOLQVNWZZOMNFI-DOMZBBRYSA-N 2 1 278.827 3.003 20 0 CGADMP Cc1ccc(CC2(C[NH2+][C@@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC001246384011 804315000 /nfs/dbraw/zinc/31/50/00/804315000.db2.gz NFLJOSAODOZQBW-DOTOQJQBSA-N 2 1 272.436 3.048 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139893852 804318037 /nfs/dbraw/zinc/31/80/37/804318037.db2.gz WWXBCIBXARHOFF-IYBDPMFKSA-N 2 1 298.405 3.362 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139893852 804318045 /nfs/dbraw/zinc/31/80/45/804318045.db2.gz WWXBCIBXARHOFF-IYBDPMFKSA-N 2 1 298.405 3.362 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139893852 804318054 /nfs/dbraw/zinc/31/80/54/804318054.db2.gz WWXBCIBXARHOFF-IYBDPMFKSA-N 2 1 298.405 3.362 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139893852 804318063 /nfs/dbraw/zinc/31/80/63/804318063.db2.gz WWXBCIBXARHOFF-IYBDPMFKSA-N 2 1 298.405 3.362 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246459244 804340573 /nfs/dbraw/zinc/34/05/73/804340573.db2.gz CVNFIAZHAOSGKF-FUHWJXTLSA-N 2 1 295.515 3.009 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]2)cc1 ZINC001246458267 804340819 /nfs/dbraw/zinc/34/08/19/804340819.db2.gz XTENUUPLKGHSLB-GDBMZVCRSA-N 2 1 278.465 3.207 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2c3ccccc3-c3ccccc32)C[NH2+]1 ZINC001246472837 804348791 /nfs/dbraw/zinc/34/87/91/804348791.db2.gz ZABBPPHRDLROQC-KGLIPLIRSA-N 2 1 278.399 3.139 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC001246490568 804357452 /nfs/dbraw/zinc/35/74/52/804357452.db2.gz DWYLKFVFEYXCOS-URGYJCLVSA-N 2 1 252.446 3.179 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246493235 804359127 /nfs/dbraw/zinc/35/91/27/804359127.db2.gz XVTJBOFJCXUNTR-IHRRRGAJSA-N 2 1 276.415 3.426 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001246505455 804365831 /nfs/dbraw/zinc/36/58/31/804365831.db2.gz WKBVBLDYFVJRND-JSGCOSHPSA-N 2 1 268.832 3.234 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@@H](C)C1 ZINC001246521621 804375343 /nfs/dbraw/zinc/37/53/43/804375343.db2.gz CSRMEZKATOXAAG-ZSHCYNCHSA-N 2 1 264.457 3.277 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246537345 804384931 /nfs/dbraw/zinc/38/49/31/804384931.db2.gz VJZOVYJEOAPMFM-BFYDXBDKSA-N 2 1 290.451 3.089 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001246535809 804385655 /nfs/dbraw/zinc/38/56/55/804385655.db2.gz LRXCUOLMYYANDX-CYBMUJFWSA-N 2 1 278.827 3.427 20 0 CGADMP C[C@H]1C[N@H+](C2CCC3(CCc4ccccc43)CC2)C[C@H]1C[NH3+] ZINC001246540771 804389873 /nfs/dbraw/zinc/38/98/73/804389873.db2.gz CHAWPACSZAVHQO-JQZVFVSYSA-N 2 1 298.474 3.340 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001246544365 804392527 /nfs/dbraw/zinc/39/25/27/804392527.db2.gz VCHLZRZKEQPKQZ-VJFUWPCTSA-N 2 1 288.435 3.190 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246544662 804392618 /nfs/dbraw/zinc/39/26/18/804392618.db2.gz RQQVVHVPGMAYDC-UKRRQHHQSA-N 2 1 250.430 3.301 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246546817 804395647 /nfs/dbraw/zinc/39/56/47/804395647.db2.gz AOYUVVOCAHXCNV-BBRMVZONSA-N 2 1 280.843 3.474 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246547718 804396244 /nfs/dbraw/zinc/39/62/44/804396244.db2.gz MPSWLCMCSJXGKQ-BCDXTJNWSA-N 2 1 270.420 3.026 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246549922 804400752 /nfs/dbraw/zinc/40/07/52/804400752.db2.gz MKVWBNLMABDUDA-DJIMGWMZSA-N 2 1 258.409 3.354 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001246551253 804401435 /nfs/dbraw/zinc/40/14/35/804401435.db2.gz LRXVSHICJWPZSU-MPGHIAIKSA-N 2 1 274.452 3.097 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001246553094 804402571 /nfs/dbraw/zinc/40/25/71/804402571.db2.gz QYLOAAWDENPSJD-AGIUHOORSA-N 2 1 278.362 3.311 20 0 CGADMP c1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246555111 804404151 /nfs/dbraw/zinc/40/41/51/804404151.db2.gz DCUVPXZSMZKFCB-QRVBRYPASA-N 2 1 284.447 3.398 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246554071 804404270 /nfs/dbraw/zinc/40/42/70/804404270.db2.gz UWONEEFRMUESTA-QAPCUYQASA-N 2 1 274.452 3.383 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C[C@H]1C[NH3+] ZINC001246553793 804404461 /nfs/dbraw/zinc/40/44/61/804404461.db2.gz UUAWKRSODNVYIZ-SRCQZFHVSA-N 2 1 292.854 3.114 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001246557243 804405731 /nfs/dbraw/zinc/40/57/31/804405731.db2.gz GSDMGZRPXVYJJN-LSDHHAIUSA-N 2 1 278.465 3.289 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001246557243 804405733 /nfs/dbraw/zinc/40/57/33/804405733.db2.gz GSDMGZRPXVYJJN-LSDHHAIUSA-N 2 1 278.465 3.289 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CC[C@H]1C[NH3+] ZINC001246558650 804407601 /nfs/dbraw/zinc/40/76/01/804407601.db2.gz NVJAWODRGTYTKZ-IFIJOSMWSA-N 2 1 292.854 3.114 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246559721 804407671 /nfs/dbraw/zinc/40/76/71/804407671.db2.gz PPXSYPWEGSHXGA-NVXWUHKLSA-N 2 1 260.425 3.285 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001246559857 804408583 /nfs/dbraw/zinc/40/85/83/804408583.db2.gz FISLJEKHADZCME-TXPKVOOTSA-N 2 1 288.479 3.487 20 0 CGADMP c1ccc([C@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246558212 804408687 /nfs/dbraw/zinc/40/86/87/804408687.db2.gz PHXJHMUCXCTNQU-ROUUACIJSA-N 2 1 284.447 3.398 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CSc3ccccc3C2)CC[C@H]1C[NH3+] ZINC001246558941 804408717 /nfs/dbraw/zinc/40/87/17/804408717.db2.gz OCZHIGVPGUUMEF-KBMXLJTQSA-N 2 1 290.476 3.010 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1)C2 ZINC001246561447 804409734 /nfs/dbraw/zinc/40/97/34/804409734.db2.gz SSJUCLNVROSASF-JLSDUUJJSA-N 2 1 286.463 3.159 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246563772 804411858 /nfs/dbraw/zinc/41/18/58/804411858.db2.gz SNPIEFQOTOPLQU-IKGGRYGDSA-N 2 1 276.399 3.493 20 0 CGADMP CCCOC1CCC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246562006 804412405 /nfs/dbraw/zinc/41/24/05/804412405.db2.gz VHFIODQQOGSAHT-NJINODPHSA-N 2 1 282.472 3.031 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246568086 804415349 /nfs/dbraw/zinc/41/53/49/804415349.db2.gz PUWIADWEFOJGSY-KBXIAJHMSA-N 2 1 256.409 3.120 20 0 CGADMP CC1(C)CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246571901 804418616 /nfs/dbraw/zinc/41/86/16/804418616.db2.gz BTWQHWIMTKRBAC-INIZCTEOSA-N 2 1 252.446 3.406 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246572444 804418862 /nfs/dbraw/zinc/41/88/62/804418862.db2.gz HALOFLNIGNATEO-KFWWJZLASA-N 2 1 256.409 3.121 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246572444 804418864 /nfs/dbraw/zinc/41/88/64/804418864.db2.gz HALOFLNIGNATEO-KFWWJZLASA-N 2 1 256.409 3.121 20 0 CGADMP C[C@@]1(F)CCC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246571711 804419766 /nfs/dbraw/zinc/41/97/66/804419766.db2.gz FJSVBHDGOQZQNI-LSDHHAIUSA-N 2 1 268.420 3.265 20 0 CGADMP C[C@@]1(F)CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246571711 804419769 /nfs/dbraw/zinc/41/97/69/804419769.db2.gz FJSVBHDGOQZQNI-LSDHHAIUSA-N 2 1 268.420 3.265 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCC(F)(F)CC2)CC1 ZINC001246579925 804423798 /nfs/dbraw/zinc/42/37/98/804423798.db2.gz VHQIORFDLFKPOC-CYBMUJFWSA-N 2 1 260.372 3.015 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246591728 804433281 /nfs/dbraw/zinc/43/32/81/804433281.db2.gz NPAKAPNKTWYPLI-UPJWGTAASA-N 2 1 298.833 3.469 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246591901 804434084 /nfs/dbraw/zinc/43/40/84/804434084.db2.gz VNYKOHTXMOWMSF-XWTMOSNGSA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246591901 804434086 /nfs/dbraw/zinc/43/40/86/804434086.db2.gz VNYKOHTXMOWMSF-XWTMOSNGSA-N 2 1 290.426 3.474 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246593862 804435821 /nfs/dbraw/zinc/43/58/21/804435821.db2.gz TWTVAPGPVAXFJJ-IPYPFGDCSA-N 2 1 292.854 3.257 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246596102 804437149 /nfs/dbraw/zinc/43/71/49/804437149.db2.gz ZFBMAWSTSRUKOD-CVSAEHQPSA-N 2 1 270.436 3.353 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246596102 804437154 /nfs/dbraw/zinc/43/71/54/804437154.db2.gz ZFBMAWSTSRUKOD-CVSAEHQPSA-N 2 1 270.436 3.353 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)C1 ZINC001246595108 804437537 /nfs/dbraw/zinc/43/75/37/804437537.db2.gz RHRKRGALJQFDIM-BZUAXINKSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246605625 804441925 /nfs/dbraw/zinc/44/19/25/804441925.db2.gz PXAWPAHGZXFTSY-INIZCTEOSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246609676 804442743 /nfs/dbraw/zinc/44/27/43/804442743.db2.gz MOLSTWFJLKHAEF-PBHICJAKSA-N 2 1 292.854 3.489 20 0 CGADMP CC(C)CC[C@@H](C)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246607394 804443248 /nfs/dbraw/zinc/44/32/48/804443248.db2.gz DKHOYLLSNOVIHR-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C1CCC([N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246608620 804443739 /nfs/dbraw/zinc/44/37/39/804443739.db2.gz HSVMFIAEXGLTAK-UYSNPLJNSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246608620 804443741 /nfs/dbraw/zinc/44/37/41/804443741.db2.gz HSVMFIAEXGLTAK-UYSNPLJNSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001246616223 804450761 /nfs/dbraw/zinc/45/07/61/804450761.db2.gz GMFLBOZXWTWHAN-MRXNPFEDSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCC[NH2+]3)CC2)CC(C)(C)C1 ZINC001246623038 804455558 /nfs/dbraw/zinc/45/55/58/804455558.db2.gz JLWIFQIEZLWFEL-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC[NH2+]3)CC2)CC(C)(C)C1 ZINC001246623040 804456225 /nfs/dbraw/zinc/45/62/25/804456225.db2.gz JLWIFQIEZLWFEL-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C1CCC([NH+]2CCC3(CCC[NH2+]3)CC2)CC1 ZINC001246624649 804457387 /nfs/dbraw/zinc/45/73/87/804457387.db2.gz NWGNIUJNUDVZRR-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246627187 804458914 /nfs/dbraw/zinc/45/89/14/804458914.db2.gz ZLWOJJJBLNTEIC-IRXDYDNUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C[C@@H](C)C1 ZINC001246626877 804459261 /nfs/dbraw/zinc/45/92/61/804459261.db2.gz VIUCJRHQFSAOPF-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[NH2+]3)CC2)C[C@H]1C ZINC001246626958 804459400 /nfs/dbraw/zinc/45/94/00/804459400.db2.gz VORILBNEWKIMRD-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)C2)cc1 ZINC001246629408 804460805 /nfs/dbraw/zinc/46/08/05/804460805.db2.gz ZBNGBCWFAFOUKN-CADBVGFASA-N 2 1 284.447 3.397 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631026 804462241 /nfs/dbraw/zinc/46/22/41/804462241.db2.gz NQUPKGRSYKSSCH-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634346 804463729 /nfs/dbraw/zinc/46/37/29/804463729.db2.gz BVUOZYOAXYSCNV-KSZLIROESA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C[C@H]1C ZINC001246636811 804465708 /nfs/dbraw/zinc/46/57/08/804465708.db2.gz XCGNSQKMMCTBFE-NCOADZHNSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C[C@H]1C ZINC001246636811 804465711 /nfs/dbraw/zinc/46/57/11/804465711.db2.gz XCGNSQKMMCTBFE-NCOADZHNSA-N 2 1 264.457 3.419 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246640360 804467695 /nfs/dbraw/zinc/46/76/95/804467695.db2.gz GFBLZJBKYQJVIX-MSOLQXFVSA-N 2 1 295.515 3.153 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246643640 804470153 /nfs/dbraw/zinc/47/01/53/804470153.db2.gz ZVKKGTBFODUKJZ-GBESFXJTSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246643964 804470712 /nfs/dbraw/zinc/47/07/12/804470712.db2.gz ONMWTUFRNWVQJZ-PKOBYXMFSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246643964 804470717 /nfs/dbraw/zinc/47/07/17/804470717.db2.gz ONMWTUFRNWVQJZ-PKOBYXMFSA-N 2 1 284.447 3.070 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246646952 804473760 /nfs/dbraw/zinc/47/37/60/804473760.db2.gz PFXSBJRENREWCL-VLOYRQLPSA-N 2 1 284.447 3.082 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@]13CC[NH2+]C3)CC2 ZINC001246645862 804474193 /nfs/dbraw/zinc/47/41/93/804474193.db2.gz WYLUFDXFNGXLPI-MOPGFXCFSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@]13CC[NH2+]C3)CC2 ZINC001246645862 804474195 /nfs/dbraw/zinc/47/41/95/804474195.db2.gz WYLUFDXFNGXLPI-MOPGFXCFSA-N 2 1 284.447 3.070 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246650668 804478712 /nfs/dbraw/zinc/47/87/12/804478712.db2.gz BDIDQRMNGGBJOK-SOLBZPMBSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246651745 804478893 /nfs/dbraw/zinc/47/88/93/804478893.db2.gz ZDAIZRUUDUTFDO-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP C1C[C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C[C@H]2C1 ZINC001246654669 804479961 /nfs/dbraw/zinc/47/99/61/804479961.db2.gz IHGJFIWMMUMUEC-VQHPVUNQSA-N 2 1 262.441 3.031 20 0 CGADMP C1C[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@H]2C1 ZINC001246653442 804480992 /nfs/dbraw/zinc/48/09/92/804480992.db2.gz DUQZHAQXVHDBLQ-NUWOQIAWSA-N 2 1 262.441 3.031 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246658460 804482598 /nfs/dbraw/zinc/48/25/98/804482598.db2.gz KPVLJOZDRGHUBT-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246658460 804482601 /nfs/dbraw/zinc/48/26/01/804482601.db2.gz KPVLJOZDRGHUBT-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246663434 804485745 /nfs/dbraw/zinc/48/57/45/804485745.db2.gz UXWNOOSBGGFVTQ-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246663434 804485750 /nfs/dbraw/zinc/48/57/50/804485750.db2.gz UXWNOOSBGGFVTQ-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCCC[C@H](CCC)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663943 804486659 /nfs/dbraw/zinc/48/66/59/804486659.db2.gz NYQBBFMGNAYMCZ-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663943 804486663 /nfs/dbraw/zinc/48/66/63/804486663.db2.gz NYQBBFMGNAYMCZ-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001246668933 804488510 /nfs/dbraw/zinc/48/85/10/804488510.db2.gz QGQGOGSJMYYXLM-BZUAXINKSA-N 2 1 290.476 3.017 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246676964 804491760 /nfs/dbraw/zinc/49/17/60/804491760.db2.gz FNQONRPRWFALCP-QZWWFDLISA-N 2 1 264.457 3.277 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246678362 804493225 /nfs/dbraw/zinc/49/32/25/804493225.db2.gz MLVRARJHWJLXFQ-HKUYNNGSSA-N 2 1 286.463 3.329 20 0 CGADMP C[N@H+](Cc1cc[nH]c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140710646 804495131 /nfs/dbraw/zinc/49/51/31/804495131.db2.gz PIMVDERXWFWAAU-UHFFFAOYSA-N 2 1 275.440 3.244 20 0 CGADMP C[N@@H+](Cc1cc[nH]c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140710646 804495133 /nfs/dbraw/zinc/49/51/33/804495133.db2.gz PIMVDERXWFWAAU-UHFFFAOYSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246682143 804496179 /nfs/dbraw/zinc/49/61/79/804496179.db2.gz SRFAWAMOCVJPNS-VYDXJSESSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246682143 804496182 /nfs/dbraw/zinc/49/61/82/804496182.db2.gz SRFAWAMOCVJPNS-VYDXJSESSA-N 2 1 258.409 3.272 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692207 804498728 /nfs/dbraw/zinc/49/87/28/804498728.db2.gz NBFNJSNSPUMTGC-CAOSSQGBSA-N 2 1 270.436 3.225 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2)CC[NH2+]1 ZINC001246767283 804501600 /nfs/dbraw/zinc/50/16/00/804501600.db2.gz BHYNCUVRDGZMNI-DLBZAZTESA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC001246773526 804504286 /nfs/dbraw/zinc/50/42/86/804504286.db2.gz AGTCSBQRUGSFEO-MSOLQXFVSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246773629 804504797 /nfs/dbraw/zinc/50/47/97/804504797.db2.gz BVVVPSIVUFGVFK-NXHRZFHOSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246777037 804507023 /nfs/dbraw/zinc/50/70/23/804507023.db2.gz PHDONMLDURKKGQ-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791500 804515722 /nfs/dbraw/zinc/51/57/22/804515722.db2.gz KDLNHUDEINGWEK-GJZGRUSLSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[C@@H]1C ZINC001246793367 804517250 /nfs/dbraw/zinc/51/72/50/804517250.db2.gz YMJDZDGFTVSRGV-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246799740 804521282 /nfs/dbraw/zinc/52/12/82/804521282.db2.gz ATPNONWXJJUHDS-LESCRADOSA-N 2 1 288.435 3.363 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246804177 804523899 /nfs/dbraw/zinc/52/38/99/804523899.db2.gz MNQAJASPLSXHLG-VKJFTORMSA-N 2 1 290.426 3.392 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1Cl)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246809916 804527627 /nfs/dbraw/zinc/52/76/27/804527627.db2.gz JONGNZWNTPCWPZ-CLLJXQQHSA-N 2 1 299.245 3.423 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](C)C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246811840 804528327 /nfs/dbraw/zinc/52/83/27/804528327.db2.gz XTYGRTGBVXUPAP-GVRJEKJASA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246814715 804530240 /nfs/dbraw/zinc/53/02/40/804530240.db2.gz RIZPLVFYRXJOGJ-QZTJIDSGSA-N 2 1 274.452 3.185 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246820013 804535025 /nfs/dbraw/zinc/53/50/25/804535025.db2.gz DTODNBYJFVCWDI-MSOLQXFVSA-N 2 1 290.426 3.222 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246820021 804535555 /nfs/dbraw/zinc/53/55/55/804535555.db2.gz DTODNBYJFVCWDI-ROUUACIJSA-N 2 1 290.426 3.222 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC001246827205 804539447 /nfs/dbraw/zinc/53/94/47/804539447.db2.gz ZURKITPQHGIAKU-BHDPWAOGSA-N 2 1 250.430 3.172 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC001246827205 804539454 /nfs/dbraw/zinc/53/94/54/804539454.db2.gz ZURKITPQHGIAKU-BHDPWAOGSA-N 2 1 250.430 3.172 20 0 CGADMP CCCC[C@@H](CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835301 804544200 /nfs/dbraw/zinc/54/42/00/804544200.db2.gz IOVCNLHDYPLFFQ-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839662 804548651 /nfs/dbraw/zinc/54/86/51/804548651.db2.gz DHFPKRYVUMGJIO-YGSHXTJESA-N 2 1 296.817 3.079 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CC2CCCC2)CC[NH2+]1 ZINC001246841625 804549725 /nfs/dbraw/zinc/54/97/25/804549725.db2.gz NPLXNLUQFLMZJZ-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP C1CC2(C1)C[C@@H]([N@@H+]1CCC[C@H]3CCCC[C@H]31)CC[NH2+]2 ZINC001246841353 804549911 /nfs/dbraw/zinc/54/99/11/804549911.db2.gz YSNXOQBRYKPHFC-OWCLPIDISA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)C[C@@H]([N@H+]1CCC[C@H]3CCCC[C@H]31)CC[NH2+]2 ZINC001246841353 804549914 /nfs/dbraw/zinc/54/99/14/804549914.db2.gz YSNXOQBRYKPHFC-OWCLPIDISA-N 2 1 262.441 3.316 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246841068 804550428 /nfs/dbraw/zinc/55/04/28/804550428.db2.gz LWJNOIOVPMYNAU-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP C1C[C@H]2C[C@H]([N@H+]3CC[C@@H](C4CCCCC4)C3)C[C@@H]1[NH2+]2 ZINC001246845394 804554777 /nfs/dbraw/zinc/55/47/77/804554777.db2.gz FVQGFZNFNSTFSV-WCXIOVBPSA-N 2 1 262.441 3.172 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246846159 804556411 /nfs/dbraw/zinc/55/64/11/804556411.db2.gz QBNNAQDERQIFRW-MSOLQXFVSA-N 2 1 284.447 3.398 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246846567 804556762 /nfs/dbraw/zinc/55/67/62/804556762.db2.gz HOIZPDPBQHULLU-WCVJEAGWSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC2(C)C)C[C@H](CC)[NH2+]1 ZINC001246847316 804556824 /nfs/dbraw/zinc/55/68/24/804556824.db2.gz SWXHINZKHSQRTG-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001246849437 804559546 /nfs/dbraw/zinc/55/95/46/804559546.db2.gz RFQNVEPAXPABFX-HOTGVXAUSA-N 2 1 292.492 3.407 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867338 804570269 /nfs/dbraw/zinc/57/02/69/804570269.db2.gz OCWGFGQPBYROIS-GBESFXJTSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867338 804570273 /nfs/dbraw/zinc/57/02/73/804570273.db2.gz OCWGFGQPBYROIS-GBESFXJTSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@@H+]([C@H](C)Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246894620 804584546 /nfs/dbraw/zinc/58/45/46/804584546.db2.gz OIVHNKLNSBZHIT-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CC[NH2+]1 ZINC001246895187 804584734 /nfs/dbraw/zinc/58/47/34/804584734.db2.gz WKTYUPAJLLKABI-IAGOWNOFSA-N 2 1 274.452 3.470 20 0 CGADMP C[N@@H+](CCCC[NH3+])C1CCC(Cc2ccccc2)CC1 ZINC001246893040 804585564 /nfs/dbraw/zinc/58/55/64/804585564.db2.gz QVDARICXEFKKEI-UHFFFAOYSA-N 2 1 274.452 3.459 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246906161 804592045 /nfs/dbraw/zinc/59/20/45/804592045.db2.gz CRYJGPVYAZSRTP-UHFFFAOYSA-N 2 1 272.436 3.349 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246909913 804592889 /nfs/dbraw/zinc/59/28/89/804592889.db2.gz SDSQEUDNOITEBF-NVXWUHKLSA-N 2 1 260.425 3.266 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246908651 804593166 /nfs/dbraw/zinc/59/31/66/804593166.db2.gz LVGUWCZEHMCESN-PIIMJCKOSA-N 2 1 272.436 3.408 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001246912087 804594714 /nfs/dbraw/zinc/59/47/14/804594714.db2.gz QJTWEZKKVIKKSA-HNNXBMFYSA-N 2 1 292.492 3.382 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001246912369 804595131 /nfs/dbraw/zinc/59/51/31/804595131.db2.gz RYIXOMCXCSCWQP-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246912827 804597456 /nfs/dbraw/zinc/59/74/56/804597456.db2.gz TWJZGWLHFACRKI-NVXWUHKLSA-N 2 1 292.442 3.467 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001246915473 804598664 /nfs/dbraw/zinc/59/86/64/804598664.db2.gz FTCFPHOUMMUPEI-UYSNPLJNSA-N 2 1 290.426 3.145 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC001246932322 804607136 /nfs/dbraw/zinc/60/71/36/804607136.db2.gz ZWICABBBNYUFRW-OIISXLGYSA-N 2 1 288.435 3.015 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](C(F)(F)F)C2)CC(C)(C)C1 ZINC001246933912 804607358 /nfs/dbraw/zinc/60/73/58/804607358.db2.gz JTVSRZJSJAWZDE-YVECIDJPSA-N 2 1 292.389 3.413 20 0 CGADMP Cc1ccc(CN(C(C)C)C2CC[NH+](C)CC2)c(F)c1 ZINC001141198086 804609427 /nfs/dbraw/zinc/60/94/27/804609427.db2.gz UUGZZXFMDKVVQQ-UHFFFAOYSA-N 2 1 278.415 3.439 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945907 804613587 /nfs/dbraw/zinc/61/35/87/804613587.db2.gz MKZSXQGZQPNQTB-BZSNNMDCSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945907 804613592 /nfs/dbraw/zinc/61/35/92/804613592.db2.gz MKZSXQGZQPNQTB-BZSNNMDCSA-N 2 1 294.483 3.044 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246945222 804614616 /nfs/dbraw/zinc/61/46/16/804614616.db2.gz KHGGAUPJSOCFGB-ABHNRTSZSA-N 2 1 290.426 3.161 20 0 CGADMP CCCC[C@H](CCC)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246951544 804616315 /nfs/dbraw/zinc/61/63/15/804616315.db2.gz UMLLJHYVXFRTQG-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246972915 804622798 /nfs/dbraw/zinc/62/27/98/804622798.db2.gz GJGJMOGUINTHSQ-BPUTZDHNSA-N 2 1 252.446 3.405 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2cccc(F)c2C1 ZINC001246973248 804624575 /nfs/dbraw/zinc/62/45/75/804624575.db2.gz GPYPOLSPEIYIKF-GOEBONIOSA-N 2 1 290.426 3.005 20 0 CGADMP C[N@H+](Cc1cccc(-n2ccnc2)c1)C[C@@H]1CC1(C)C ZINC001141244399 804624711 /nfs/dbraw/zinc/62/47/11/804624711.db2.gz MAEADTRNNGLVBA-HNNXBMFYSA-N 2 1 269.392 3.350 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2cc(F)ccc2C1 ZINC001246978600 804625867 /nfs/dbraw/zinc/62/58/67/804625867.db2.gz WLGCYDGPQGLRQH-KSSFIOAISA-N 2 1 290.426 3.005 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246980779 804627569 /nfs/dbraw/zinc/62/75/69/804627569.db2.gz SOCWVYMGZDLQIQ-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](C2CCCC2)CC1 ZINC001247000624 804634573 /nfs/dbraw/zinc/63/45/73/804634573.db2.gz GAINLILCMSDRFT-UHFFFAOYSA-N 2 1 270.420 3.066 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001247002627 804636193 /nfs/dbraw/zinc/63/61/93/804636193.db2.gz NOPVKPWKNPVXIF-RHSMWYFYSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001247002627 804636195 /nfs/dbraw/zinc/63/61/95/804636195.db2.gz NOPVKPWKNPVXIF-RHSMWYFYSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247005156 804637128 /nfs/dbraw/zinc/63/71/28/804637128.db2.gz VBGGZDFYMZQCBO-BBRMVZONSA-N 2 1 280.843 3.332 20 0 CGADMP CCOc1cc2[nH]c(CCCCC[NH3+])[nH+]c2cc1OCC ZINC001247021121 804646363 /nfs/dbraw/zinc/64/63/63/804646363.db2.gz SZVJCJTUUUJMEW-UHFFFAOYSA-N 2 1 291.395 3.032 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256830001 806988332 /nfs/dbraw/zinc/98/83/32/806988332.db2.gz MRBAVUVGSUGBLH-ZWKOTPCHSA-N 2 1 290.451 3.180 20 0 CGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc3ccccc3c2)no1 ZINC001247692192 804796946 /nfs/dbraw/zinc/79/69/46/804796946.db2.gz ALWDGXDFGWJMIJ-HNNXBMFYSA-N 2 1 296.374 3.019 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(F)c(C)c3)C[C@H]2C1 ZINC001143385634 804846728 /nfs/dbraw/zinc/84/67/28/804846728.db2.gz XMOKJRZVEXSVCI-IAGOWNOFSA-N 2 1 290.426 3.216 20 0 CGADMP C[C@H]1CC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C[C@H](C)O1 ZINC001257083169 807047141 /nfs/dbraw/zinc/04/71/41/807047141.db2.gz GDUYARAPNJIEQA-ZOBUZTSGSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H]1CC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C[C@H](C)O1 ZINC001257083169 807047149 /nfs/dbraw/zinc/04/71/49/807047149.db2.gz GDUYARAPNJIEQA-ZOBUZTSGSA-N 2 1 294.483 3.187 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001257101156 807052988 /nfs/dbraw/zinc/05/29/88/807052988.db2.gz AAODBPJDBHKBAI-GJZGRUSLSA-N 2 1 282.472 3.139 20 0 CGADMP CCC[C@@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257320817 807106026 /nfs/dbraw/zinc/10/60/26/807106026.db2.gz XGIUSXBMDZLRQY-HUUCEWRRSA-N 2 1 282.472 3.187 20 0 CGADMP CCC[C@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257320820 807106114 /nfs/dbraw/zinc/10/61/14/807106114.db2.gz XGIUSXBMDZLRQY-LSDHHAIUSA-N 2 1 282.472 3.187 20 0 CGADMP CCCCC[C@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001257510946 807186985 /nfs/dbraw/zinc/18/69/85/807186985.db2.gz SYJUXZCPYLYDQY-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP CCCCC[C@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001257510946 807186989 /nfs/dbraw/zinc/18/69/89/807186989.db2.gz SYJUXZCPYLYDQY-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1cc[nH+]c(C)c1NCCC[N@H+]1CCCC[C@H]1C ZINC001167753558 807241932 /nfs/dbraw/zinc/24/19/32/807241932.db2.gz PQFOPCSMSAULKG-CQSZACIVSA-N 2 1 261.413 3.375 20 0 CGADMP Cc1cc[nH+]c(C)c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167753558 807241938 /nfs/dbraw/zinc/24/19/38/807241938.db2.gz PQFOPCSMSAULKG-CQSZACIVSA-N 2 1 261.413 3.375 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2c1ccn2C ZINC001167754286 807244158 /nfs/dbraw/zinc/24/41/58/807244158.db2.gz QYTYGQUVLIFGTD-CQSZACIVSA-N 2 1 286.423 3.250 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC001167837916 807259585 /nfs/dbraw/zinc/25/95/85/807259585.db2.gz NUDKTQFVTWKGBF-HIFRSBDPSA-N 2 1 294.443 3.025 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2occc2C1 ZINC001167839501 807260275 /nfs/dbraw/zinc/26/02/75/807260275.db2.gz YLXKXIQAGGOYQW-AWEZNQCLSA-N 2 1 264.413 3.148 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007808 807264865 /nfs/dbraw/zinc/26/48/65/807264865.db2.gz UERVFMSBTOZWCP-QAQDUYKDSA-N 2 1 295.515 3.087 20 0 CGADMP CC(C)CN1CCC([N@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007808 807264869 /nfs/dbraw/zinc/26/48/69/807264869.db2.gz UERVFMSBTOZWCP-QAQDUYKDSA-N 2 1 295.515 3.087 20 0 CGADMP CC(C)CN1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258007808 807264872 /nfs/dbraw/zinc/26/48/72/807264872.db2.gz UERVFMSBTOZWCP-QAQDUYKDSA-N 2 1 295.515 3.087 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCCCC[C@H]2C)CC1 ZINC001258014394 807267438 /nfs/dbraw/zinc/26/74/38/807267438.db2.gz IPQRXNDFAQKYTL-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981871 807290273 /nfs/dbraw/zinc/29/02/73/807290273.db2.gz NQHLZFGWSYEEJL-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981871 807290279 /nfs/dbraw/zinc/29/02/79/807290279.db2.gz NQHLZFGWSYEEJL-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC13CCCC3)C2 ZINC001167988005 807292972 /nfs/dbraw/zinc/29/29/72/807292972.db2.gz OFXABJXEKHZUAF-SJPCQFCGSA-N 2 1 274.452 3.410 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCC13CCCC3)C2 ZINC001167988005 807292975 /nfs/dbraw/zinc/29/29/75/807292975.db2.gz OFXABJXEKHZUAF-SJPCQFCGSA-N 2 1 274.452 3.410 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCC13CCCC3)C2 ZINC001167988005 807292981 /nfs/dbraw/zinc/29/29/81/807292981.db2.gz OFXABJXEKHZUAF-SJPCQFCGSA-N 2 1 274.452 3.410 20 0 CGADMP COCC[N@@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039184 807302421 /nfs/dbraw/zinc/30/24/21/807302421.db2.gz BYPDOYUZFMHZAX-ALXJQNPVSA-N 2 1 290.451 3.006 20 0 CGADMP COCC[NH+](C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039184 807302430 /nfs/dbraw/zinc/30/24/30/807302430.db2.gz BYPDOYUZFMHZAX-ALXJQNPVSA-N 2 1 290.451 3.006 20 0 CGADMP COCC[NH+](C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039184 807302438 /nfs/dbraw/zinc/30/24/38/807302438.db2.gz BYPDOYUZFMHZAX-ALXJQNPVSA-N 2 1 290.451 3.006 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001168313763 807379633 /nfs/dbraw/zinc/37/96/33/807379633.db2.gz GTMWQISUZVCLAU-NRXISQOPSA-N 2 1 256.409 3.073 20 0 CGADMP COc1ccc(CC[N@@H+](C)C2CCC([NH+](C)C)CC2)cc1 ZINC001168324616 807383789 /nfs/dbraw/zinc/38/37/89/807383789.db2.gz ROAFBAZPHPVSMA-UHFFFAOYSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CCC(=O)c2cccs2)CC1 ZINC001168329459 807386233 /nfs/dbraw/zinc/38/62/33/807386233.db2.gz UXIRACOBZSBQOP-UHFFFAOYSA-N 2 1 294.464 3.126 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ncccc1C ZINC001168356359 807392954 /nfs/dbraw/zinc/39/29/54/807392954.db2.gz QHNNTGJKUMFFQI-QGZVFWFLSA-N 2 1 287.451 3.305 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC001168363123 807394289 /nfs/dbraw/zinc/39/42/89/807394289.db2.gz TVAZJLGUKJZVBK-GFCCVEGCSA-N 2 1 294.389 3.490 20 0 CGADMP c1ccc([C@H]2CC[N@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168387421 807399322 /nfs/dbraw/zinc/39/93/22/807399322.db2.gz IJBPFWYJAGQFBK-GOSISDBHSA-N 2 1 270.420 3.308 20 0 CGADMP c1ccc([C@H]2CC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168387421 807399330 /nfs/dbraw/zinc/39/93/30/807399330.db2.gz IJBPFWYJAGQFBK-GOSISDBHSA-N 2 1 270.420 3.308 20 0 CGADMP Fc1ccc2c(c1)CC[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001168443326 807417285 /nfs/dbraw/zinc/41/72/85/807417285.db2.gz ANECBOZROZYDBO-KRWDZBQOSA-N 2 1 299.393 3.219 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168454867 807421274 /nfs/dbraw/zinc/42/12/74/807421274.db2.gz BJKDWPNHFJYAGJ-HNNXBMFYSA-N 2 1 280.431 3.468 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168549182 807442863 /nfs/dbraw/zinc/44/28/63/807442863.db2.gz LSQCCYMKRUJJPT-AWEZNQCLSA-N 2 1 296.418 3.040 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC001258599066 807498463 /nfs/dbraw/zinc/49/84/63/807498463.db2.gz RGLRGJCQOPDCPC-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC001258599066 807498466 /nfs/dbraw/zinc/49/84/66/807498466.db2.gz RGLRGJCQOPDCPC-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258704658 807560000 /nfs/dbraw/zinc/56/00/00/807560000.db2.gz SRYRCKJYJPZJPV-LVQVYYBASA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258704658 807560005 /nfs/dbraw/zinc/56/00/05/807560005.db2.gz SRYRCKJYJPZJPV-LVQVYYBASA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258704658 807560007 /nfs/dbraw/zinc/56/00/07/807560007.db2.gz SRYRCKJYJPZJPV-LVQVYYBASA-N 2 1 264.457 3.085 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C2 ZINC001169080358 807569629 /nfs/dbraw/zinc/56/96/29/807569629.db2.gz MUIZRASNTNFPHW-QKDCVEJESA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C2 ZINC001169080358 807569636 /nfs/dbraw/zinc/56/96/36/807569636.db2.gz MUIZRASNTNFPHW-QKDCVEJESA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3occc3c1)C2 ZINC001169091488 807570943 /nfs/dbraw/zinc/57/09/43/807570943.db2.gz SGRPKBSXSPSDMA-MUJYYYPQSA-N 2 1 270.376 3.148 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C2 ZINC001169090863 807571955 /nfs/dbraw/zinc/57/19/55/807571955.db2.gz MJWLMHQHMANMMI-UMHABRDISA-N 2 1 290.373 3.322 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001169092666 807572268 /nfs/dbraw/zinc/57/22/68/807572268.db2.gz CEQJZKFRHZADRW-FVCCEPFGSA-N 2 1 250.411 3.024 20 0 CGADMP Cc1c(CC[NH3+])c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169095968 807573285 /nfs/dbraw/zinc/57/32/85/807573285.db2.gz SXNIHIFIFYMJLS-MUJYYYPQSA-N 2 1 297.446 3.249 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)C2 ZINC001169095748 807574491 /nfs/dbraw/zinc/57/44/91/807574491.db2.gz SPOQYWLORASFNO-BTTYYORXSA-N 2 1 296.361 3.003 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1cc(F)cc3F)C2 ZINC001169099715 807575396 /nfs/dbraw/zinc/57/53/96/807575396.db2.gz FCVDQDAWJMCTNR-JRATXPSKSA-N 2 1 292.373 3.167 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1cc(F)cc3F)C2 ZINC001169099715 807575398 /nfs/dbraw/zinc/57/53/98/807575398.db2.gz FCVDQDAWJMCTNR-JRATXPSKSA-N 2 1 292.373 3.167 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCCCCCCO)C2 ZINC001169099697 807576857 /nfs/dbraw/zinc/57/68/57/807576857.db2.gz DWRWOFLJJBMGEM-NNZMDNLPSA-N 2 1 296.499 3.314 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101244 807578729 /nfs/dbraw/zinc/57/87/29/807578729.db2.gz PUMGQPLAARBIEN-YYQUZTFQSA-N 2 1 292.854 3.486 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCCC1(C)C)C2 ZINC001169115276 807581046 /nfs/dbraw/zinc/58/10/46/807581046.db2.gz IAIGQQPXYRZOAU-XGUBFFRZSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001169114818 807581966 /nfs/dbraw/zinc/58/19/66/807581966.db2.gz YYFUKVSPROZYAA-CUSZFKRNSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001169114818 807581971 /nfs/dbraw/zinc/58/19/71/807581971.db2.gz YYFUKVSPROZYAA-CUSZFKRNSA-N 2 1 287.451 3.384 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169118384 807583119 /nfs/dbraw/zinc/58/31/19/807583119.db2.gz IVXBOYLTTPNVSG-YHUYYLMFSA-N 2 1 288.435 3.361 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118384 807583124 /nfs/dbraw/zinc/58/31/24/807583124.db2.gz IVXBOYLTTPNVSG-YHUYYLMFSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C2 ZINC001169118051 807583897 /nfs/dbraw/zinc/58/38/97/807583897.db2.gz CKWPPPDQNXEKJT-XDQVBPFNSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001258740025 807584591 /nfs/dbraw/zinc/58/45/91/807584591.db2.gz LULGYGOHWHGZIA-UWTIGNOOSA-N 2 1 280.843 3.473 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCCC3)CC1)C2 ZINC001169131780 807586163 /nfs/dbraw/zinc/58/61/63/807586163.db2.gz YZQODNLNVKAJLM-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCCC3)CC1)C2 ZINC001169131780 807586165 /nfs/dbraw/zinc/58/61/65/807586165.db2.gz YZQODNLNVKAJLM-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP Cc1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001169137226 807586704 /nfs/dbraw/zinc/58/67/04/807586704.db2.gz JDLVDLUXAAFJJF-BBRMVZONSA-N 2 1 276.428 3.049 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169138837 807588534 /nfs/dbraw/zinc/58/85/34/807588534.db2.gz KCEZARXNBUQSIE-FVQHAEBGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169138837 807588539 /nfs/dbraw/zinc/58/85/39/807588539.db2.gz KCEZARXNBUQSIE-FVQHAEBGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169138837 807588544 /nfs/dbraw/zinc/58/85/44/807588544.db2.gz KCEZARXNBUQSIE-FVQHAEBGSA-N 2 1 258.409 3.052 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001169142893 807590934 /nfs/dbraw/zinc/59/09/34/807590934.db2.gz XDCJKZSFODRQNM-AKHDSKFASA-N 2 1 284.447 3.176 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001169142893 807590938 /nfs/dbraw/zinc/59/09/38/807590938.db2.gz XDCJKZSFODRQNM-AKHDSKFASA-N 2 1 284.447 3.176 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001169142893 807590942 /nfs/dbraw/zinc/59/09/42/807590942.db2.gz XDCJKZSFODRQNM-AKHDSKFASA-N 2 1 284.447 3.176 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001169230849 807609452 /nfs/dbraw/zinc/60/94/52/807609452.db2.gz MJVHHUPZYJUHAU-HZPDHXFCSA-N 2 1 278.827 3.270 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001169229871 807609986 /nfs/dbraw/zinc/60/99/86/807609986.db2.gz INBSYSQIZLRDOK-INIZCTEOSA-N 2 1 293.842 3.260 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(C)ccc32)CC1 ZINC001169229582 807610161 /nfs/dbraw/zinc/61/01/61/807610161.db2.gz CGZOQITZUHDANE-KRWDZBQOSA-N 2 1 258.409 3.056 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)c2cccc(OC)c2)CC1 ZINC001169237882 807611251 /nfs/dbraw/zinc/61/12/51/807611251.db2.gz BJZRDYQUCOBNSA-UHFFFAOYSA-N 2 1 276.424 3.004 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001169254990 807615409 /nfs/dbraw/zinc/61/54/09/807615409.db2.gz LOAVKPSRFYXGKV-KRWDZBQOSA-N 2 1 272.436 3.350 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001169254990 807615413 /nfs/dbraw/zinc/61/54/13/807615413.db2.gz LOAVKPSRFYXGKV-KRWDZBQOSA-N 2 1 272.436 3.350 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258792656 807615514 /nfs/dbraw/zinc/61/55/14/807615514.db2.gz IGIULUALXCMRHG-LSDHHAIUSA-N 2 1 295.471 3.331 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C(C)C)CC3)C[C@@H]2C1 ZINC001258805884 807626250 /nfs/dbraw/zinc/62/62/50/807626250.db2.gz AGEZEOLIBHJTRQ-ZTOOSOLZSA-N 2 1 278.484 3.475 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC(C(C)C)CC3)C[C@@H]2C1 ZINC001258805884 807626253 /nfs/dbraw/zinc/62/62/53/807626253.db2.gz AGEZEOLIBHJTRQ-ZTOOSOLZSA-N 2 1 278.484 3.475 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCC(C(C)C)CC3)C[C@@H]2C1 ZINC001258805884 807626255 /nfs/dbraw/zinc/62/62/55/807626255.db2.gz AGEZEOLIBHJTRQ-ZTOOSOLZSA-N 2 1 278.484 3.475 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258839124 807652688 /nfs/dbraw/zinc/65/26/88/807652688.db2.gz QVUKIFQLVANTAI-SJORKVTESA-N 2 1 260.425 3.082 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccccc1OC)C1CCN(C)CC1 ZINC001258893095 807665955 /nfs/dbraw/zinc/66/59/55/807665955.db2.gz YMMPNQOKJVPRDN-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@](C)(CF)C1 ZINC001258907612 807672642 /nfs/dbraw/zinc/67/26/42/807672642.db2.gz LHZAFZXRQPEODO-CABCVRRESA-N 2 1 258.425 3.178 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001258908181 807672659 /nfs/dbraw/zinc/67/26/59/807672659.db2.gz WPGYWFAOCZJEEA-ZWKOTPCHSA-N 3 1 297.531 3.338 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC001261492430 807751226 /nfs/dbraw/zinc/75/12/26/807751226.db2.gz CVNAAAGNLCYHEL-IAGOWNOFSA-N 2 1 260.425 3.198 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC001261492431 807751452 /nfs/dbraw/zinc/75/14/52/807751452.db2.gz CVNAAAGNLCYHEL-IRXDYDNUSA-N 2 1 260.425 3.198 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CCO1 ZINC001170233906 807797798 /nfs/dbraw/zinc/79/77/98/807797798.db2.gz HJLNTEJBXCIWEA-XWTMOSNGSA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@@H]1C[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001170233906 807797803 /nfs/dbraw/zinc/79/78/03/807797803.db2.gz HJLNTEJBXCIWEA-XWTMOSNGSA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@@H]1C[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CCO1 ZINC001170233906 807797807 /nfs/dbraw/zinc/79/78/07/807797807.db2.gz HJLNTEJBXCIWEA-XWTMOSNGSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001170274338 807811753 /nfs/dbraw/zinc/81/17/53/807811753.db2.gz BQEGGAIDOAEPIK-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001170274338 807811759 /nfs/dbraw/zinc/81/17/59/807811759.db2.gz BQEGGAIDOAEPIK-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001170274338 807811765 /nfs/dbraw/zinc/81/17/65/807811765.db2.gz BQEGGAIDOAEPIK-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc(F)cc3)C[C@@H]2C1 ZINC001262379378 807863119 /nfs/dbraw/zinc/86/31/19/807863119.db2.gz YQLVHQZOVLYXHE-SOLBZPMBSA-N 2 1 290.426 3.030 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170917387 807933430 /nfs/dbraw/zinc/93/34/30/807933430.db2.gz QMHBGSBCGCDHQI-ZDUSSCGKSA-N 2 1 289.810 3.158 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(Cl)nc2)CC1(C)C ZINC001171618335 808105082 /nfs/dbraw/zinc/10/50/82/808105082.db2.gz VPBMQFFQNPWRTB-UHFFFAOYSA-N 2 1 295.858 3.476 20 0 CGADMP COC[C@@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631049 808107625 /nfs/dbraw/zinc/10/76/25/808107625.db2.gz DEOSOKJXGQKYEC-AWEZNQCLSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171631752 808109486 /nfs/dbraw/zinc/10/94/86/808109486.db2.gz NIIGDAKBDWISKR-KBXCAEBGSA-N 2 1 296.499 3.121 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCc3occc3C2)CC1(C)C ZINC001171643501 808111311 /nfs/dbraw/zinc/11/13/11/808111311.db2.gz WAPIUNXOAUQRTO-UHFFFAOYSA-N 2 1 276.424 3.289 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3occc3C2)CC1(C)C ZINC001171643501 808111315 /nfs/dbraw/zinc/11/13/15/808111315.db2.gz WAPIUNXOAUQRTO-UHFFFAOYSA-N 2 1 276.424 3.289 20 0 CGADMP Cc1ccc(CC[C@@H](C)n2cc[nH+]c2CCC[NH3+])cc1 ZINC001171664972 808117287 /nfs/dbraw/zinc/11/72/87/808117287.db2.gz IMHCZFLYQQDENY-OAHLLOKOSA-N 2 1 271.408 3.277 20 0 CGADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965202 808161731 /nfs/dbraw/zinc/16/17/31/808161731.db2.gz OWJHLMNSPVFETO-NVXWUHKLSA-N 2 1 290.451 3.054 20 0 CGADMP C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079762 808170679 /nfs/dbraw/zinc/17/06/79/808170679.db2.gz QXHZGXDSZZHWGZ-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnc2ccccn21 ZINC001172101227 808172048 /nfs/dbraw/zinc/17/20/48/808172048.db2.gz XPAGHMLMXVJYPZ-FPCVCCKLSA-N 2 1 298.434 3.000 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)C2 ZINC001172102863 808173861 /nfs/dbraw/zinc/17/38/61/808173861.db2.gz PSZTZEJNOZCJNG-XYYAHUGASA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)C2 ZINC001172102863 808173866 /nfs/dbraw/zinc/17/38/66/808173866.db2.gz PSZTZEJNOZCJNG-XYYAHUGASA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C/C=C/c1ccccc1)C2 ZINC001172102277 808174523 /nfs/dbraw/zinc/17/45/23/808174523.db2.gz LPGQSPHVDFFGPB-LMVCOTLASA-N 2 1 270.420 3.305 20 0 CGADMP Cc1nc2cc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc2o1 ZINC001172108426 808175751 /nfs/dbraw/zinc/17/57/51/808175751.db2.gz WHVOUKPPLVMNGX-MUJYYYPQSA-N 2 1 299.418 3.241 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(Cl)cc1)C2 ZINC001172105435 808176524 /nfs/dbraw/zinc/17/65/24/808176524.db2.gz HWIKIPBPLAWEDE-OSYLJGHBSA-N 2 1 292.854 3.487 20 0 CGADMP C[N@H+](CCc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114628 808179960 /nfs/dbraw/zinc/17/99/60/808179960.db2.gz RMZBHXLVMQWMHT-BCDXTJNWSA-N 2 1 272.436 3.176 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114628 808179963 /nfs/dbraw/zinc/17/99/63/808179963.db2.gz RMZBHXLVMQWMHT-BCDXTJNWSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114628 808179969 /nfs/dbraw/zinc/17/99/69/808179969.db2.gz RMZBHXLVMQWMHT-BCDXTJNWSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114628 808179972 /nfs/dbraw/zinc/17/99/72/808179972.db2.gz RMZBHXLVMQWMHT-BCDXTJNWSA-N 2 1 272.436 3.176 20 0 CGADMP Cc1cccc2c1C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172121418 808182126 /nfs/dbraw/zinc/18/21/26/808182126.db2.gz QCAVBXCDMDKYDB-BJWYYQGGSA-N 2 1 270.420 3.326 20 0 CGADMP Cc1cccc2c1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172121418 808182129 /nfs/dbraw/zinc/18/21/29/808182129.db2.gz QCAVBXCDMDKYDB-BJWYYQGGSA-N 2 1 270.420 3.326 20 0 CGADMP Cc1cccc2c1C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172121418 808182132 /nfs/dbraw/zinc/18/21/32/808182132.db2.gz QCAVBXCDMDKYDB-BJWYYQGGSA-N 2 1 270.420 3.326 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CCC1)C1CCOCC1)C2 ZINC001172129869 808185209 /nfs/dbraw/zinc/18/52/09/808185209.db2.gz DQTXGFVAOOWOIT-PIIMJCKOSA-N 2 1 292.467 3.035 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CCC1)C1CCOCC1)C2 ZINC001172129869 808185213 /nfs/dbraw/zinc/18/52/13/808185213.db2.gz DQTXGFVAOOWOIT-PIIMJCKOSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C1CCC1)C1CCOCC1)C2 ZINC001172129869 808185218 /nfs/dbraw/zinc/18/52/18/808185218.db2.gz DQTXGFVAOOWOIT-PIIMJCKOSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C1CCC1)C1CCOCC1)C2 ZINC001172129869 808185221 /nfs/dbraw/zinc/18/52/21/808185221.db2.gz DQTXGFVAOOWOIT-PIIMJCKOSA-N 2 1 292.467 3.035 20 0 CGADMP CC(C)(C)C[N@H+](C1C[C@@H]2C=C[C@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172235888 808206704 /nfs/dbraw/zinc/20/67/04/808206704.db2.gz YIRLJNLYVCQQIS-ZZCJBCQWSA-N 2 1 292.467 3.090 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172322092 808231625 /nfs/dbraw/zinc/23/16/25/808231625.db2.gz RQIOAXHCXLBJNB-HZPDHXFCSA-N 2 1 272.477 3.292 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172322092 808231630 /nfs/dbraw/zinc/23/16/30/808231630.db2.gz RQIOAXHCXLBJNB-HZPDHXFCSA-N 2 1 272.477 3.292 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172403302 808292061 /nfs/dbraw/zinc/29/20/61/808292061.db2.gz LJKNWBGVGSHXBK-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)OCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001172439492 808315821 /nfs/dbraw/zinc/31/58/21/808315821.db2.gz FAXMQQVAABFFGX-IAGOWNOFSA-N 2 1 292.467 3.287 20 0 CGADMP CC(C)OCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172452310 808325322 /nfs/dbraw/zinc/32/53/22/808325322.db2.gz YZJFXDUIHTWIDP-MRXNPFEDSA-N 2 1 284.488 3.242 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172724643 808421128 /nfs/dbraw/zinc/42/11/28/808421128.db2.gz OWCFJKDCOOIUTF-MRXNPFEDSA-N 2 1 280.843 3.081 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(F)cc1Cl ZINC001172860760 808465913 /nfs/dbraw/zinc/46/59/13/808465913.db2.gz FVOQBBWCAMUVPS-GFCCVEGCSA-N 2 1 286.822 3.471 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172864316 808467104 /nfs/dbraw/zinc/46/71/04/808467104.db2.gz VGCJYSZXWXJTHO-LBPRGKRZSA-N 2 1 286.822 3.469 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001172934812 808488921 /nfs/dbraw/zinc/48/89/21/808488921.db2.gz BZUIMPVFFXQMQK-FGTMMUONSA-N 2 1 294.483 3.284 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(OCCC)CC1 ZINC001173091679 808505498 /nfs/dbraw/zinc/50/54/98/808505498.db2.gz YZSFNIIZKSRTRI-UHFFFAOYSA-N 2 1 284.488 3.436 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2nccs2)CC1 ZINC001173113562 808513983 /nfs/dbraw/zinc/51/39/83/808513983.db2.gz UWWLZALBMYLUHZ-UHFFFAOYSA-N 2 1 281.469 3.228 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001173239875 808547600 /nfs/dbraw/zinc/54/76/00/808547600.db2.gz LMOHOKDLEVKIPM-LZQZEXGQSA-N 2 1 286.463 3.064 20 0 CGADMP CCc1ccc(C[C@H](C)[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)cc1 ZINC001173245438 808553384 /nfs/dbraw/zinc/55/33/84/808553384.db2.gz HQOZNFLJAIXLLE-ZYSHUDEJSA-N 2 1 286.463 3.064 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001173245438 808553387 /nfs/dbraw/zinc/55/33/87/808553387.db2.gz HQOZNFLJAIXLLE-ZYSHUDEJSA-N 2 1 286.463 3.064 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001173245438 808553391 /nfs/dbraw/zinc/55/33/91/808553391.db2.gz HQOZNFLJAIXLLE-ZYSHUDEJSA-N 2 1 286.463 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H](n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)C1 ZINC001173373479 808634114 /nfs/dbraw/zinc/63/41/14/808634114.db2.gz XOVSUUZLWMJAGV-ZBFHGGJFSA-N 2 1 298.434 3.118 20 0 CGADMP Cc1cccc2[nH+]cc(Nc3ccccc3C[NH+](C)C)n21 ZINC001173928644 808766964 /nfs/dbraw/zinc/76/69/64/808766964.db2.gz IEWRZTXFUWVDIQ-UHFFFAOYSA-N 2 1 280.375 3.448 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CC1(C)CCCCC1)CC2 ZINC001274905226 808892307 /nfs/dbraw/zinc/89/23/07/808892307.db2.gz ASXWBDRGYYJIQR-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH+](C)C[C@H]2CC1 ZINC001275046246 808900468 /nfs/dbraw/zinc/90/04/68/808900468.db2.gz ZXEUWRADSBQQRR-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@@H+](C)C[C@H]2CC1 ZINC001275046246 808900475 /nfs/dbraw/zinc/90/04/75/808900475.db2.gz ZXEUWRADSBQQRR-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@H+](C)C[C@H]2CC1 ZINC001275046246 808900482 /nfs/dbraw/zinc/90/04/82/808900482.db2.gz ZXEUWRADSBQQRR-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275062127 808902958 /nfs/dbraw/zinc/90/29/58/808902958.db2.gz POZWQLFVCSQRJT-FUHWJXTLSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275062127 808902966 /nfs/dbraw/zinc/90/29/66/808902966.db2.gz POZWQLFVCSQRJT-FUHWJXTLSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275062127 808902975 /nfs/dbraw/zinc/90/29/75/808902975.db2.gz POZWQLFVCSQRJT-FUHWJXTLSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275062127 808902981 /nfs/dbraw/zinc/90/29/81/808902981.db2.gz POZWQLFVCSQRJT-FUHWJXTLSA-N 2 1 289.467 3.349 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)o1 ZINC001275239443 808923094 /nfs/dbraw/zinc/92/30/94/808923094.db2.gz AFXFENAWZUAULQ-UHFFFAOYSA-N 2 1 299.418 3.014 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275308020 808927530 /nfs/dbraw/zinc/92/75/30/808927530.db2.gz KUWWNMPXLBQNHF-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275308020 808927534 /nfs/dbraw/zinc/92/75/34/808927534.db2.gz KUWWNMPXLBQNHF-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275308020 808927539 /nfs/dbraw/zinc/92/75/39/808927539.db2.gz KUWWNMPXLBQNHF-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275308020 808927542 /nfs/dbraw/zinc/92/75/42/808927542.db2.gz KUWWNMPXLBQNHF-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cccc(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275633955 808953540 /nfs/dbraw/zinc/95/35/40/808953540.db2.gz FTBDDTLLPQPGQW-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275633955 808953546 /nfs/dbraw/zinc/95/35/46/808953546.db2.gz FTBDDTLLPQPGQW-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275633955 808953551 /nfs/dbraw/zinc/95/35/51/808953551.db2.gz FTBDDTLLPQPGQW-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)ccc3F)(C1)CCC2 ZINC001275931758 808977701 /nfs/dbraw/zinc/97/77/01/808977701.db2.gz PTODYUNWJRWOJK-JKSUJKDBSA-N 2 1 280.362 3.119 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ncccc3Cl)CC2)C1 ZINC001276387603 809004752 /nfs/dbraw/zinc/00/47/52/809004752.db2.gz DICPAPOSGIMTND-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ncccc3Cl)CC2)C1 ZINC001276387603 809004759 /nfs/dbraw/zinc/00/47/59/809004759.db2.gz DICPAPOSGIMTND-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP CS[C@@H](C)CC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276470203 809012037 /nfs/dbraw/zinc/01/20/37/809012037.db2.gz LLAKXXMSYVHVEU-HNNXBMFYSA-N 2 1 296.524 3.468 20 0 CGADMP CS[C@@H](C)CC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276470203 809012044 /nfs/dbraw/zinc/01/20/44/809012044.db2.gz LLAKXXMSYVHVEU-HNNXBMFYSA-N 2 1 296.524 3.468 20 0 CGADMP Cc1ccc2[nH]c(CN3CCC[C@@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001276597092 809018802 /nfs/dbraw/zinc/01/88/02/809018802.db2.gz GCNDGGVKOSUXER-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC001276597092 809018810 /nfs/dbraw/zinc/01/88/10/809018810.db2.gz GCNDGGVKOSUXER-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001276597092 809018813 /nfs/dbraw/zinc/01/88/13/809018813.db2.gz GCNDGGVKOSUXER-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001276597092 809018822 /nfs/dbraw/zinc/01/88/22/809018822.db2.gz GCNDGGVKOSUXER-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001276597092 809018828 /nfs/dbraw/zinc/01/88/28/809018828.db2.gz GCNDGGVKOSUXER-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCc1ccccc1F)C2 ZINC001276726281 809026433 /nfs/dbraw/zinc/02/64/33/809026433.db2.gz IHCYMJDTAHLZLN-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1F)C2 ZINC001276726281 809026440 /nfs/dbraw/zinc/02/64/40/809026440.db2.gz IHCYMJDTAHLZLN-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1F)C2 ZINC001276726281 809026451 /nfs/dbraw/zinc/02/64/51/809026451.db2.gz IHCYMJDTAHLZLN-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)C1 ZINC001276758750 809029926 /nfs/dbraw/zinc/02/99/26/809029926.db2.gz GYRIEMOOZGLHJU-GVDBMIGSSA-N 2 1 274.452 3.006 20 0 CGADMP Cc1csc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276776807 809030655 /nfs/dbraw/zinc/03/06/55/809030655.db2.gz BUMCMMAKKWIKST-INIZCTEOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276776807 809030660 /nfs/dbraw/zinc/03/06/60/809030660.db2.gz BUMCMMAKKWIKST-INIZCTEOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1O ZINC001276878230 809040012 /nfs/dbraw/zinc/04/00/12/809040012.db2.gz RMGOCDOIUWTGKE-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1O ZINC001276878230 809040020 /nfs/dbraw/zinc/04/00/20/809040020.db2.gz RMGOCDOIUWTGKE-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1O ZINC001276878230 809040029 /nfs/dbraw/zinc/04/00/29/809040029.db2.gz RMGOCDOIUWTGKE-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1O ZINC001276878230 809040035 /nfs/dbraw/zinc/04/00/35/809040035.db2.gz RMGOCDOIUWTGKE-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1[nH+]ccn1Cc1ccc(Nc2cc[nH+]cc2C)cc1 ZINC001174539598 809072109 /nfs/dbraw/zinc/07/21/09/809072109.db2.gz MHMPVVAQMKUQIL-UHFFFAOYSA-N 2 1 278.359 3.109 20 0 CGADMP Cc1c[nH+]c(Nc2ccc(OCC[NH+](C)C)cc2)c(C)c1 ZINC001176224796 809651054 /nfs/dbraw/zinc/65/10/54/809651054.db2.gz ZQCPGJZMVQCJRU-UHFFFAOYSA-N 2 1 285.391 3.382 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001177474642 809800219 /nfs/dbraw/zinc/80/02/19/809800219.db2.gz DCQCWOLTRZGCTC-BPKGMFCQSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001177474642 809800225 /nfs/dbraw/zinc/80/02/25/809800225.db2.gz DCQCWOLTRZGCTC-BPKGMFCQSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC001178310879 809859532 /nfs/dbraw/zinc/85/95/32/809859532.db2.gz MUDZCTNRYCTQOE-WAYWQWQTSA-N 2 1 284.447 3.477 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001179817664 809948877 /nfs/dbraw/zinc/94/88/77/809948877.db2.gz RFGXLVVEAQEMNM-FGTMMUONSA-N 2 1 272.436 3.240 20 0 CGADMP CCNc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001179873622 809954494 /nfs/dbraw/zinc/95/44/94/809954494.db2.gz NLEJBCZDLGEPAG-MRXNPFEDSA-N 2 1 287.451 3.036 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001179873622 809954498 /nfs/dbraw/zinc/95/44/98/809954498.db2.gz NLEJBCZDLGEPAG-MRXNPFEDSA-N 2 1 287.451 3.036 20 0 CGADMP COC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCCCCC1 ZINC001179918575 809957551 /nfs/dbraw/zinc/95/75/51/809957551.db2.gz CTYXDVFKXXYCJG-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCCCCC1 ZINC001179918575 809957555 /nfs/dbraw/zinc/95/75/55/809957555.db2.gz CTYXDVFKXXYCJG-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCCCCC1 ZINC001179918575 809957558 /nfs/dbraw/zinc/95/75/58/809957558.db2.gz CTYXDVFKXXYCJG-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@](C)(CC)C2)CC1 ZINC001179957710 809963813 /nfs/dbraw/zinc/96/38/13/809963813.db2.gz QAVNGYSLMCZRGD-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)C1(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC001181515630 810057609 /nfs/dbraw/zinc/05/76/09/810057609.db2.gz VFPFKLZCFVZCKB-INIZCTEOSA-N 2 1 264.457 3.086 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC=C(c3ccco3)C2)CC1 ZINC001181688129 810066489 /nfs/dbraw/zinc/06/64/89/810066489.db2.gz PLWCJUVIPWOQKD-UHFFFAOYSA-N 2 1 274.408 3.101 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001182152236 810095437 /nfs/dbraw/zinc/09/54/37/810095437.db2.gz LNFOACFXXJBPTG-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001182152236 810095439 /nfs/dbraw/zinc/09/54/39/810095439.db2.gz LNFOACFXXJBPTG-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC(C)(C)SC ZINC001183026208 810134613 /nfs/dbraw/zinc/13/46/13/810134613.db2.gz YCFCFRJEGJCMIW-UHFFFAOYSA-N 2 1 260.491 3.228 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC(C)(C)SC ZINC001183026208 810134616 /nfs/dbraw/zinc/13/46/16/810134616.db2.gz YCFCFRJEGJCMIW-UHFFFAOYSA-N 2 1 260.491 3.228 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001184387757 810196428 /nfs/dbraw/zinc/19/64/28/810196428.db2.gz NEOVCZNAOVMPJR-DGXTUMSLSA-N 2 1 264.457 3.131 20 0 CGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[Si](C)(C)C ZINC001197194671 811405325 /nfs/dbraw/zinc/40/53/25/811405325.db2.gz RMRUTKPJMJGTGH-UHFFFAOYSA-N 2 1 270.537 3.164 20 0 CGADMP C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001199275785 811568349 /nfs/dbraw/zinc/56/83/49/811568349.db2.gz NBCDYQPOJHCASP-DOTOQJQBSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCCCC2)C1 ZINC001199335757 811572289 /nfs/dbraw/zinc/57/22/89/811572289.db2.gz BVIPTRJKCIDBGW-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC001199402986 811576024 /nfs/dbraw/zinc/57/60/24/811576024.db2.gz BWJFMPLQQJGCNI-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccn2C2CC2)CC1 ZINC001199420158 811576775 /nfs/dbraw/zinc/57/67/75/811576775.db2.gz KUGSIKJYJQLZBA-UHFFFAOYSA-N 2 1 275.440 3.176 20 0 CGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1C ZINC001199420564 811576920 /nfs/dbraw/zinc/57/69/20/811576920.db2.gz OAOLBQJPQLTOEA-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cn1c[nH+]cc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201474803 811853752 /nfs/dbraw/zinc/85/37/52/811853752.db2.gz MQPWWEUGYWRTBD-SJORKVTESA-N 2 1 294.402 3.153 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001201544823 811894560 /nfs/dbraw/zinc/89/45/60/811894560.db2.gz SQKOWCLSFGCTRC-CQSZACIVSA-N 2 1 275.440 3.365 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201565048 811905547 /nfs/dbraw/zinc/90/55/47/811905547.db2.gz FXBFEBSXJTVHQV-OAHLLOKOSA-N 2 1 295.471 3.333 20 0 CGADMP CCC[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001201637325 811927676 /nfs/dbraw/zinc/92/76/76/811927676.db2.gz UOVWNBWAPSLGFE-UHFFFAOYSA-N 2 1 291.439 3.132 20 0 CGADMP CCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201647368 811931681 /nfs/dbraw/zinc/93/16/81/811931681.db2.gz IACVPPHDISWYBW-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP CCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201647368 811931685 /nfs/dbraw/zinc/93/16/85/811931685.db2.gz IACVPPHDISWYBW-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP CCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001201647368 811931686 /nfs/dbraw/zinc/93/16/86/811931686.db2.gz IACVPPHDISWYBW-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)o1 ZINC001203292758 812295738 /nfs/dbraw/zinc/29/57/38/812295738.db2.gz XFOOYBPUSVRGIJ-UHFFFAOYSA-N 2 1 285.391 3.030 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccccc2F)CC1 ZINC001203348967 812315888 /nfs/dbraw/zinc/31/58/88/812315888.db2.gz YFFINXPUUFRSIG-UHFFFAOYSA-N 2 1 299.393 3.268 20 0 CGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001203360141 812322770 /nfs/dbraw/zinc/32/27/70/812322770.db2.gz SLEBAJRFBXSTRQ-OAHLLOKOSA-N 2 1 286.350 3.182 20 0 CGADMP Cc1cnccc1O[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001203360141 812322779 /nfs/dbraw/zinc/32/27/79/812322779.db2.gz SLEBAJRFBXSTRQ-OAHLLOKOSA-N 2 1 286.350 3.182 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(O)cc2)CC1 ZINC001204099088 812550517 /nfs/dbraw/zinc/55/05/17/812550517.db2.gz NOOIYDHDWFDZDU-UHFFFAOYSA-N 2 1 276.424 3.089 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001204166956 812561377 /nfs/dbraw/zinc/56/13/77/812561377.db2.gz CHEGJUFUVYLBOQ-MSOLQXFVSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001204166956 812561382 /nfs/dbraw/zinc/56/13/82/812561382.db2.gz CHEGJUFUVYLBOQ-MSOLQXFVSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001204166956 812561385 /nfs/dbraw/zinc/56/13/85/812561385.db2.gz CHEGJUFUVYLBOQ-MSOLQXFVSA-N 2 1 272.436 3.194 20 0 CGADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC(N2CCC2)CC1 ZINC001204299007 812605121 /nfs/dbraw/zinc/60/51/21/812605121.db2.gz ZYWYTTSKBYEAHD-UHFFFAOYSA-N 2 1 283.419 3.146 20 0 CGADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001204299007 812605126 /nfs/dbraw/zinc/60/51/26/812605126.db2.gz ZYWYTTSKBYEAHD-UHFFFAOYSA-N 2 1 283.419 3.146 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)c1 ZINC001204674787 812706015 /nfs/dbraw/zinc/70/60/15/812706015.db2.gz CZJLRNGRSHSMMM-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)c1 ZINC001204674787 812706021 /nfs/dbraw/zinc/70/60/21/812706021.db2.gz CZJLRNGRSHSMMM-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccc(F)cc1 ZINC001204691383 812709421 /nfs/dbraw/zinc/70/94/21/812709421.db2.gz CUJYYLUXLMTERL-UHFFFAOYSA-N 2 1 290.407 3.165 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204770306 812731010 /nfs/dbraw/zinc/73/10/10/812731010.db2.gz CZDCAEFNJPMVJY-GOSISDBHSA-N 2 1 285.435 3.389 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204770306 812731013 /nfs/dbraw/zinc/73/10/13/812731013.db2.gz CZDCAEFNJPMVJY-GOSISDBHSA-N 2 1 285.435 3.389 20 0 CGADMP C[C@]1([NH3+])CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204792690 812738255 /nfs/dbraw/zinc/73/82/55/812738255.db2.gz YQEBXLXWDPQAGB-SFHVURJKSA-N 2 1 284.378 3.416 20 0 CGADMP C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204792690 812738261 /nfs/dbraw/zinc/73/82/61/812738261.db2.gz YQEBXLXWDPQAGB-SFHVURJKSA-N 2 1 284.378 3.416 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)c2ccccc12 ZINC001204939442 812787937 /nfs/dbraw/zinc/78/79/37/812787937.db2.gz RHNYKUPVJPKCGA-SFHVURJKSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)c2ccccc12 ZINC001204939442 812787939 /nfs/dbraw/zinc/78/79/39/812787939.db2.gz RHNYKUPVJPKCGA-SFHVURJKSA-N 2 1 268.404 3.461 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)CCC=C(C)C)C1 ZINC001205000288 812817006 /nfs/dbraw/zinc/81/70/06/812817006.db2.gz CFHUBOFPQKKAAU-JKSUJKDBSA-N 2 1 252.446 3.300 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001205001327 812818757 /nfs/dbraw/zinc/81/87/57/812818757.db2.gz PXLCDGDOKNAPMV-CQSZACIVSA-N 2 1 297.240 3.325 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001205001326 812819419 /nfs/dbraw/zinc/81/94/19/812819419.db2.gz PXLCDGDOKNAPMV-AWEZNQCLSA-N 2 1 297.240 3.325 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001205016245 812825951 /nfs/dbraw/zinc/82/59/51/812825951.db2.gz HNOVPUXSVXZHQH-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001205016245 812825960 /nfs/dbraw/zinc/82/59/60/812825960.db2.gz HNOVPUXSVXZHQH-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1Cl ZINC001205102338 812866933 /nfs/dbraw/zinc/86/69/33/812866933.db2.gz QJTDDFGZRPYKGO-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1Cl ZINC001205102338 812866941 /nfs/dbraw/zinc/86/69/41/812866941.db2.gz QJTDDFGZRPYKGO-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001205124065 812875597 /nfs/dbraw/zinc/87/55/97/812875597.db2.gz JVQFOKCDANZBOF-AWEZNQCLSA-N 2 1 262.372 3.016 20 0 CGADMP COc1ccc2sc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc2c1 ZINC001205124269 812876706 /nfs/dbraw/zinc/87/67/06/812876706.db2.gz MTWHSDVFVHWVCM-ZDUSSCGKSA-N 2 1 290.432 3.223 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205130899 812880550 /nfs/dbraw/zinc/88/05/50/812880550.db2.gz OGTYDFRBUWPFJR-OWCLPIDISA-N 2 1 284.488 3.135 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2[C@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001205164948 812894543 /nfs/dbraw/zinc/89/45/43/812894543.db2.gz XSWCSJWGPJHZMT-IOASZLSFSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[N@H+](C[C@H]2[C@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001205164948 812894550 /nfs/dbraw/zinc/89/45/50/812894550.db2.gz XSWCSJWGPJHZMT-IOASZLSFSA-N 2 1 294.389 3.097 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](Cc1ccc(C[NH3+])cc1)CC2 ZINC001205164984 812895365 /nfs/dbraw/zinc/89/53/65/812895365.db2.gz ZDHAMISLURZPAG-UHFFFAOYSA-N 2 1 266.388 3.012 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)c1 ZINC001205257838 812918945 /nfs/dbraw/zinc/91/89/45/812918945.db2.gz XPAKWMFFILKYEH-QGZVFWFLSA-N 2 1 260.425 3.315 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC001205257471 812918988 /nfs/dbraw/zinc/91/89/88/812918988.db2.gz VRLJTWYLYVGWPH-QGZVFWFLSA-N 2 1 260.425 3.213 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)c1C ZINC001205255574 812919175 /nfs/dbraw/zinc/91/91/75/812919175.db2.gz KIKINVWAFVBODG-QGZVFWFLSA-N 2 1 276.424 3.015 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264779 812922162 /nfs/dbraw/zinc/92/21/62/812922162.db2.gz MFYTVVBJKHGBPA-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264779 812922165 /nfs/dbraw/zinc/92/21/65/812922165.db2.gz MFYTVVBJKHGBPA-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1c(Cl)cccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274673 812926312 /nfs/dbraw/zinc/92/63/12/812926312.db2.gz ZWHOVLQUXDTQIH-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274673 812926314 /nfs/dbraw/zinc/92/63/14/812926314.db2.gz ZWHOVLQUXDTQIH-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)sc1C ZINC001205289397 812933173 /nfs/dbraw/zinc/93/31/73/812933173.db2.gz XTWCSAYYXGETSQ-CQSZACIVSA-N 2 1 252.427 3.068 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205295908 812936116 /nfs/dbraw/zinc/93/61/16/812936116.db2.gz CIEPBMGLUMJKKG-MRXNPFEDSA-N 2 1 296.842 3.442 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205295908 812936122 /nfs/dbraw/zinc/93/61/22/812936122.db2.gz CIEPBMGLUMJKKG-MRXNPFEDSA-N 2 1 296.842 3.442 20 0 CGADMP C[C@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC001205295954 812936335 /nfs/dbraw/zinc/93/63/35/812936335.db2.gz DDVANNMJNKQDJI-HOTGVXAUSA-N 2 1 274.452 3.271 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205296400 812937279 /nfs/dbraw/zinc/93/72/79/812937279.db2.gz OJBWLNGECPEVMQ-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205296400 812937286 /nfs/dbraw/zinc/93/72/86/812937286.db2.gz OJBWLNGECPEVMQ-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205296911 812937505 /nfs/dbraw/zinc/93/75/05/812937505.db2.gz WVWACICJAHZSEC-MRXNPFEDSA-N 2 1 278.465 3.420 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC001205303392 812940232 /nfs/dbraw/zinc/94/02/32/812940232.db2.gz DORNOGFLEMZAPY-GDBMZVCRSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C[C@H]1C[NH3+] ZINC001205318189 812950196 /nfs/dbraw/zinc/95/01/96/812950196.db2.gz SRTXPKRHJHPPEC-IUODEOHRSA-N 2 1 276.399 3.120 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001205339926 812963600 /nfs/dbraw/zinc/96/36/00/812963600.db2.gz NYQVYMOSKUQQRQ-HXUWFJFHSA-N 2 1 292.426 3.322 20 0 CGADMP COC1(C[N@@H+](C)CCC[NH+]2CCCC2)CCCCCC1 ZINC001205535321 812996174 /nfs/dbraw/zinc/99/61/74/812996174.db2.gz KXHYXAGYNKLCRW-UHFFFAOYSA-N 2 1 282.472 3.144 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC001205558826 813002593 /nfs/dbraw/zinc/00/25/93/813002593.db2.gz JGGBSXMFENFHOL-MRXNPFEDSA-N 2 1 276.355 3.086 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2csc(Cl)c2)CC1 ZINC001205571615 813007403 /nfs/dbraw/zinc/00/74/03/813007403.db2.gz WFHUDQUJBVQSCI-LBPRGKRZSA-N 2 1 276.808 3.054 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1C ZINC001205592797 813014667 /nfs/dbraw/zinc/01/46/67/813014667.db2.gz YLPDXSPZEVIKOL-QGZVFWFLSA-N 2 1 294.414 3.047 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC001205602025 813017804 /nfs/dbraw/zinc/01/78/04/813017804.db2.gz HQNJZUDJYAWQSP-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](CCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC001205601775 813017930 /nfs/dbraw/zinc/01/79/30/813017930.db2.gz GISVUGCTWSTMTJ-GOEBONIOSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)CC[C@@H]1C[NH3+] ZINC001205603355 813020114 /nfs/dbraw/zinc/02/01/14/813020114.db2.gz OLQDFEUFCYSFRY-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(C)c1C ZINC001205605365 813021067 /nfs/dbraw/zinc/02/10/67/813021067.db2.gz ZZKQKJQAEHLSAO-BBRMVZONSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c1F ZINC001205616787 813026097 /nfs/dbraw/zinc/02/60/97/813026097.db2.gz GXMWCOBOTSOXKG-DGCLKSJQSA-N 2 1 282.378 3.080 20 0 CGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1Cl ZINC001205617978 813028152 /nfs/dbraw/zinc/02/81/52/813028152.db2.gz QDTIYPGLUPQUEW-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP COc1c(C)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1C ZINC001205618063 813029748 /nfs/dbraw/zinc/02/97/48/813029748.db2.gz RDGKJBSYJNOJIV-DYVFJYSZSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)CC[C@H]1C[NH3+] ZINC001205617829 813029841 /nfs/dbraw/zinc/02/98/41/813029841.db2.gz OGRDFJKYJOFMLR-YOEHRIQHSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)ccc2n1 ZINC001205625997 813031897 /nfs/dbraw/zinc/03/18/97/813031897.db2.gz DOQRQJLOYYFOOH-KBXCAEBGSA-N 2 1 297.446 3.350 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1Cl ZINC001205629225 813033563 /nfs/dbraw/zinc/03/35/63/813033563.db2.gz YRFLBDGAGBHQJX-DOMZBBRYSA-N 2 1 280.843 3.455 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)s1 ZINC001205628799 813035232 /nfs/dbraw/zinc/03/52/32/813035232.db2.gz WURZBBIQFXDAKQ-CHWSQXEVSA-N 2 1 266.454 3.117 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(C(C)(C)C)c2)CC[C@H]1C[NH3+] ZINC001205636866 813036994 /nfs/dbraw/zinc/03/69/94/813036994.db2.gz FQEYVIDFIJFMQQ-ZBFHGGJFSA-N 2 1 289.467 3.186 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC[C@H]1C[NH3+] ZINC001205639560 813038266 /nfs/dbraw/zinc/03/82/66/813038266.db2.gz ZXNTXBGYQYRBNW-QWRGUYRKSA-N 2 1 290.329 3.105 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651423 813041295 /nfs/dbraw/zinc/04/12/95/813041295.db2.gz FDFJTFYEUVMCIZ-CZUORRHYSA-N 2 1 290.451 3.119 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205653303 813042643 /nfs/dbraw/zinc/04/26/43/813042643.db2.gz SPARGWWDTVVMPC-HIFRSBDPSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205654568 813043582 /nfs/dbraw/zinc/04/35/82/813043582.db2.gz XJFVBGHUQNCLJG-SWLSCSKDSA-N 2 1 278.415 3.249 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc3ccccc32)C1 ZINC001205803113 813083946 /nfs/dbraw/zinc/08/39/46/813083946.db2.gz FHJZEVVHCJUJQJ-RHSMWYFYSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc3ccccc32)C1 ZINC001205803113 813083955 /nfs/dbraw/zinc/08/39/55/813083955.db2.gz FHJZEVVHCJUJQJ-RHSMWYFYSA-N 2 1 268.404 3.399 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(C)c1 ZINC001205805045 813085499 /nfs/dbraw/zinc/08/54/99/813085499.db2.gz POCHPYZJFRSZOM-WBMJQRKESA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(C)c1 ZINC001205805045 813085509 /nfs/dbraw/zinc/08/55/09/813085509.db2.gz POCHPYZJFRSZOM-WBMJQRKESA-N 2 1 260.425 3.171 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1CC ZINC001205902534 813124013 /nfs/dbraw/zinc/12/40/13/813124013.db2.gz KEDXNCCJXVCLBA-PBHICJAKSA-N 2 1 290.451 3.207 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)[nH]c2ccccc21 ZINC001205902075 813124534 /nfs/dbraw/zinc/12/45/34/813124534.db2.gz HQDJELNHDDLTTI-VXGBXAGGSA-N 2 1 291.826 3.381 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901960 813124864 /nfs/dbraw/zinc/12/48/64/813124864.db2.gz GLGWDZWGJJGREJ-GOEBONIOSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c2ccccc12 ZINC001205903645 813126402 /nfs/dbraw/zinc/12/64/02/813126402.db2.gz QNXVFXFLHCNCTR-GJZGRUSLSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001205904157 813126508 /nfs/dbraw/zinc/12/65/08/813126508.db2.gz SKWTWFZLTMLOOT-UKRRQHHQSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCC1CCCCC1 ZINC001205904740 813128272 /nfs/dbraw/zinc/12/82/72/813128272.db2.gz XCBYCVYGUIFEIL-GDBMZVCRSA-N 2 1 252.446 3.406 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912790 813129813 /nfs/dbraw/zinc/12/98/13/813129813.db2.gz CKDOEWZGABAHER-ZIAGYGMSSA-N 2 1 264.388 3.002 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205923346 813135475 /nfs/dbraw/zinc/13/54/75/813135475.db2.gz NFYQIMWQHOMNRY-UKRRQHHQSA-N 2 1 278.465 3.276 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](Cc2cccc3sccc32)C1 ZINC001205938812 813141816 /nfs/dbraw/zinc/14/18/16/813141816.db2.gz LCURFWMZXNMCBS-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001205938812 813141817 /nfs/dbraw/zinc/14/18/17/813141817.db2.gz LCURFWMZXNMCBS-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981860 813151234 /nfs/dbraw/zinc/15/12/34/813151234.db2.gz IEMYDFCIHNKDEI-ZACQAIPSSA-N 2 1 298.515 3.261 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCC[C@H]1C[NH3+] ZINC001205995783 813156711 /nfs/dbraw/zinc/15/67/11/813156711.db2.gz QHOIEHOBSIJHLN-CABCVRRESA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206003759 813160702 /nfs/dbraw/zinc/16/07/02/813160702.db2.gz MHKDKJODKPCMRN-KGLIPLIRSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c21 ZINC001206004018 813161000 /nfs/dbraw/zinc/16/10/00/813161000.db2.gz OZAGCBQNCOBTHF-CABCVRRESA-N 2 1 285.435 3.283 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC001206002836 813161280 /nfs/dbraw/zinc/16/12/80/813161280.db2.gz BROBXDPIJZGYDI-STQMWFEESA-N 2 1 281.469 3.073 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3cn2)CCC[C@@H]1C[NH3+] ZINC001206005021 813162061 /nfs/dbraw/zinc/16/20/61/813162061.db2.gz WIRPEOGVSCMUBP-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C(F)F)CCC[C@H]1C[NH3+] ZINC001206005983 813162232 /nfs/dbraw/zinc/16/22/32/813162232.db2.gz ZUMNQMFVZXSRQC-OLZOCXBDSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)CCC[C@H]1C[NH3+] ZINC001206012044 813164895 /nfs/dbraw/zinc/16/48/95/813164895.db2.gz IDTNVTVCTHKBON-ZBFHGGJFSA-N 2 1 299.418 3.148 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206036544 813176423 /nfs/dbraw/zinc/17/64/23/813176423.db2.gz KTAIVPMMHBPWGZ-HZPDHXFCSA-N 2 1 290.451 3.119 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c(Cl)[nH]c3ccccc32)CC[C@@H]1F ZINC001206163522 813220746 /nfs/dbraw/zinc/22/07/46/813220746.db2.gz DCHQAFIKSSWJPQ-QWHCGFSZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC[C@@H]1F ZINC001206163522 813220750 /nfs/dbraw/zinc/22/07/50/813220750.db2.gz DCHQAFIKSSWJPQ-QWHCGFSZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)CC[C@H]1F ZINC001206176098 813227444 /nfs/dbraw/zinc/22/74/44/813227444.db2.gz YBQPVEIEUPZBBV-IAGOWNOFSA-N 2 1 290.357 3.240 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206210664 813241651 /nfs/dbraw/zinc/24/16/51/813241651.db2.gz LCYUXXFRNPAJMS-IAGOWNOFSA-N 2 1 294.414 3.043 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206212958 813242161 /nfs/dbraw/zinc/24/21/61/813242161.db2.gz TZUGEFSGJXRBIE-ZIAGYGMSSA-N 2 1 282.428 3.060 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)cc2)o1 ZINC001206277549 813268480 /nfs/dbraw/zinc/26/84/80/813268480.db2.gz UMVIVXPTJCXGTE-AWEZNQCLSA-N 2 1 284.403 3.296 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)cc2)o1 ZINC001206277549 813268485 /nfs/dbraw/zinc/26/84/85/813268485.db2.gz UMVIVXPTJCXGTE-AWEZNQCLSA-N 2 1 284.403 3.296 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206294143 813275077 /nfs/dbraw/zinc/27/50/77/813275077.db2.gz JLMUNFBGDIAKGL-SFHVURJKSA-N 2 1 290.451 3.426 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001206292534 813275284 /nfs/dbraw/zinc/27/52/84/813275284.db2.gz COVSMXPRFOXTNB-YESZJQIVSA-N 2 1 264.457 3.430 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206296076 813277077 /nfs/dbraw/zinc/27/70/77/813277077.db2.gz PJYWOWMECIJDTR-MRXNPFEDSA-N 2 1 278.465 3.359 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001206303164 813278921 /nfs/dbraw/zinc/27/89/21/813278921.db2.gz CCRVRUXPVZSGAI-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001206304189 813280479 /nfs/dbraw/zinc/28/04/79/813280479.db2.gz GYRWPXXOASHJNJ-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001206304888 813281364 /nfs/dbraw/zinc/28/13/64/813281364.db2.gz QNFZTTSDHDKPTF-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1C ZINC001206305171 813281725 /nfs/dbraw/zinc/28/17/25/813281725.db2.gz VDPHBYCDKFMEET-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)s1 ZINC001206311563 813284812 /nfs/dbraw/zinc/28/48/12/813284812.db2.gz QRSPLWZEGDKCKM-AWEZNQCLSA-N 2 1 284.494 3.421 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3cn2)CC1 ZINC001206311910 813285961 /nfs/dbraw/zinc/28/59/61/813285961.db2.gz WSYKNAWXHYWYMG-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@](F)(C[NH3+])C2)o1 ZINC001206338272 813294288 /nfs/dbraw/zinc/29/42/88/813294288.db2.gz YXFJHDPSGPOZDC-BBRMVZONSA-N 2 1 282.403 3.235 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@](F)(C[NH3+])C2)o1 ZINC001206338272 813294296 /nfs/dbraw/zinc/29/42/96/813294296.db2.gz YXFJHDPSGPOZDC-BBRMVZONSA-N 2 1 282.403 3.235 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001206500888 813336583 /nfs/dbraw/zinc/33/65/83/813336583.db2.gz SPWSVLCQUVVHMM-UHFFFAOYSA-N 2 1 288.769 3.179 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC001206541812 813343631 /nfs/dbraw/zinc/34/36/31/813343631.db2.gz KTVZAAVIOUDKCM-QGZVFWFLSA-N 2 1 278.415 3.209 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c[nH]c2c1 ZINC001206548849 813348832 /nfs/dbraw/zinc/34/88/32/813348832.db2.gz JUEFQZHJVVRCNK-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cccnc3c2)C1 ZINC001206549581 813349273 /nfs/dbraw/zinc/34/92/73/813349273.db2.gz OXMZNRBQQMYKFI-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC001206574221 813359295 /nfs/dbraw/zinc/35/92/95/813359295.db2.gz QZBLJBRLYHLOBY-SFHVURJKSA-N 2 1 299.418 3.293 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc(C)c1O ZINC001206588514 813365294 /nfs/dbraw/zinc/36/52/94/813365294.db2.gz ACIWBIJSUGMCKJ-QGZVFWFLSA-N 2 1 290.451 3.362 20 0 CGADMP Cc1cc(F)cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206592232 813367162 /nfs/dbraw/zinc/36/71/62/813367162.db2.gz YZNFPZRXUGOPFB-KRWDZBQOSA-N 2 1 278.415 3.487 20 0 CGADMP Cc1sccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206597722 813369768 /nfs/dbraw/zinc/36/97/68/813369768.db2.gz FNEBLACXSINKKD-OAHLLOKOSA-N 2 1 266.454 3.409 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC001206606531 813372678 /nfs/dbraw/zinc/37/26/78/813372678.db2.gz OHGCCDUQPVNESS-INIZCTEOSA-N 2 1 274.452 3.415 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(C)c1C ZINC001206617050 813375384 /nfs/dbraw/zinc/37/53/84/813375384.db2.gz ZBCRTZPZKZEHAN-MRXNPFEDSA-N 2 1 290.451 3.181 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001206624841 813378097 /nfs/dbraw/zinc/37/80/97/813378097.db2.gz YWYMICDYDALCLO-INIZCTEOSA-N 2 1 295.430 3.309 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)c12 ZINC001206639437 813382501 /nfs/dbraw/zinc/38/25/01/813382501.db2.gz DDHXTNAEHWQPKA-OAHLLOKOSA-N 2 1 283.419 3.104 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714204 813405068 /nfs/dbraw/zinc/40/50/68/813405068.db2.gz BJJRSNUDRGIVBE-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714204 813405070 /nfs/dbraw/zinc/40/50/70/813405070.db2.gz BJJRSNUDRGIVBE-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)s1 ZINC001206769684 813431941 /nfs/dbraw/zinc/43/19/41/813431941.db2.gz PGCXDHSPFOICCQ-STQMWFEESA-N 2 1 266.454 3.260 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206806162 813441926 /nfs/dbraw/zinc/44/19/26/813441926.db2.gz FVORXQPNLPCAIT-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206806162 813441929 /nfs/dbraw/zinc/44/19/29/813441929.db2.gz FVORXQPNLPCAIT-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286967 813535295 /nfs/dbraw/zinc/53/52/95/813535295.db2.gz PRUPKJRFGHTQEL-MRXNPFEDSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2c(F)cccc2F)CC1 ZINC001207399615 813556684 /nfs/dbraw/zinc/55/66/84/813556684.db2.gz PFCOJQFQFJDZPW-MRXNPFEDSA-N 2 1 294.389 3.444 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(OC)c1 ZINC001207487278 813575194 /nfs/dbraw/zinc/57/51/94/813575194.db2.gz WFFMCPHGMFDWRP-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP C[N@@H+](CCCc1ccccc1F)CC1CC[NH+](C)CC1 ZINC001207493237 813576105 /nfs/dbraw/zinc/57/61/05/813576105.db2.gz JYFYFDUYNPSNPB-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001207590749 813601786 /nfs/dbraw/zinc/60/17/86/813601786.db2.gz VOIQOJABRCQWHY-UHFFFAOYSA-N 2 1 289.810 3.027 20 0 CGADMP Clc1cccc(CCC[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001207590749 813601790 /nfs/dbraw/zinc/60/17/90/813601790.db2.gz VOIQOJABRCQWHY-UHFFFAOYSA-N 2 1 289.810 3.027 20 0 CGADMP CC[N@@H+](CC[C@@H](C)CCCC(C)(C)O)C1CCN(C)CC1 ZINC001207671093 813631567 /nfs/dbraw/zinc/63/15/67/813631567.db2.gz RREKMHATFXFSMW-INIZCTEOSA-N 2 1 298.515 3.370 20 0 CGADMP CCNc1ccccc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001207738782 813642273 /nfs/dbraw/zinc/64/22/73/813642273.db2.gz LXQJTUYXJHTZTB-UHFFFAOYSA-N 2 1 277.456 3.138 20 0 CGADMP CCNc1ccccc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207738782 813642280 /nfs/dbraw/zinc/64/22/80/813642280.db2.gz LXQJTUYXJHTZTB-UHFFFAOYSA-N 2 1 277.456 3.138 20 0 CGADMP C[NH+]1CCC(C)(C[N@@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001208109028 813694207 /nfs/dbraw/zinc/69/42/07/813694207.db2.gz JYMRWICCTUTZIC-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001208109028 813694210 /nfs/dbraw/zinc/69/42/10/813694210.db2.gz JYMRWICCTUTZIC-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP CC/C=C\CCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001208138669 813704948 /nfs/dbraw/zinc/70/49/48/813704948.db2.gz QVTSMVRSHZPFSK-PLNGDYQASA-N 2 1 250.430 3.291 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001208160134 813717901 /nfs/dbraw/zinc/71/79/01/813717901.db2.gz FVPGBBAMPZDZMW-LSDHHAIUSA-N 2 1 250.430 3.005 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001208160134 813717905 /nfs/dbraw/zinc/71/79/05/813717905.db2.gz FVPGBBAMPZDZMW-LSDHHAIUSA-N 2 1 250.430 3.005 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC001208170638 813723989 /nfs/dbraw/zinc/72/39/89/813723989.db2.gz YAEUHVWCHMWWCE-OAHLLOKOSA-N 2 1 290.451 3.499 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208174353 813727728 /nfs/dbraw/zinc/72/77/28/813727728.db2.gz JYTQKDCKJXENFS-HOTGVXAUSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208174353 813727733 /nfs/dbraw/zinc/72/77/33/813727733.db2.gz JYTQKDCKJXENFS-HOTGVXAUSA-N 2 1 264.457 3.395 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)CCc2cccs2)CCCC1 ZINC001208192288 813737941 /nfs/dbraw/zinc/73/79/41/813737941.db2.gz SJMFAOYYLASVLC-UHFFFAOYSA-N 2 1 280.481 3.344 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cccc3cccnc32)CC1 ZINC001208599416 813770794 /nfs/dbraw/zinc/77/07/94/813770794.db2.gz HFSRNUOGEXHQAW-UHFFFAOYSA-N 2 1 297.446 3.399 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001208612680 813774764 /nfs/dbraw/zinc/77/47/64/813774764.db2.gz NAHJQOAORAAEQN-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001208612680 813774769 /nfs/dbraw/zinc/77/47/69/813774769.db2.gz NAHJQOAORAAEQN-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001208612680 813774775 /nfs/dbraw/zinc/77/47/75/813774775.db2.gz NAHJQOAORAAEQN-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CC1(C)CCCCC1)CC2 ZINC001208900853 813888027 /nfs/dbraw/zinc/88/80/27/813888027.db2.gz UDMHQAKTKHVVCY-UHFFFAOYSA-N 2 1 293.455 3.087 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)CC(C)(C)C(=O)CC)CC1 ZINC001208923354 813901590 /nfs/dbraw/zinc/90/15/90/813901590.db2.gz QLVNAALHAYEGOE-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CC(C)(C)C(=O)CC)CC1 ZINC001208923354 813901597 /nfs/dbraw/zinc/90/15/97/813901597.db2.gz QLVNAALHAYEGOE-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP FC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949315 813906136 /nfs/dbraw/zinc/90/61/36/813906136.db2.gz KUDLQYQSVWOSFR-ROUUACIJSA-N 2 1 290.426 3.190 20 0 CGADMP FC[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949315 813906143 /nfs/dbraw/zinc/90/61/43/813906143.db2.gz KUDLQYQSVWOSFR-ROUUACIJSA-N 2 1 290.426 3.190 20 0 CGADMP FC[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949315 813906149 /nfs/dbraw/zinc/90/61/49/813906149.db2.gz KUDLQYQSVWOSFR-ROUUACIJSA-N 2 1 290.426 3.190 20 0 CGADMP FC[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949314 813906403 /nfs/dbraw/zinc/90/64/03/813906403.db2.gz KUDLQYQSVWOSFR-QZTJIDSGSA-N 2 1 290.426 3.190 20 0 CGADMP FC[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949314 813906406 /nfs/dbraw/zinc/90/64/06/813906406.db2.gz KUDLQYQSVWOSFR-QZTJIDSGSA-N 2 1 290.426 3.190 20 0 CGADMP FC[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949314 813906411 /nfs/dbraw/zinc/90/64/11/813906411.db2.gz KUDLQYQSVWOSFR-QZTJIDSGSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209416845 814020626 /nfs/dbraw/zinc/02/06/26/814020626.db2.gz SWHVAUAJPWWXQB-AEFFLSMTSA-N 2 1 299.462 3.026 20 0 CGADMP Cc1[nH+]c(N)ccc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242692548 823101877 /nfs/dbraw/zinc/10/18/77/823101877.db2.gz FZMPDSYPBCKARR-AWEZNQCLSA-N 2 1 257.381 3.004 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210496568 814489676 /nfs/dbraw/zinc/48/96/76/814489676.db2.gz IOSKERVEVDAOMM-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210496568 814489678 /nfs/dbraw/zinc/48/96/78/814489678.db2.gz IOSKERVEVDAOMM-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)CC[NH2+]1 ZINC001210499671 814491297 /nfs/dbraw/zinc/49/12/97/814491297.db2.gz VHOLIQVYKAEMQW-KRWDZBQOSA-N 2 1 294.442 3.461 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)CC[NH2+]1 ZINC001210499671 814491300 /nfs/dbraw/zinc/49/13/00/814491300.db2.gz VHOLIQVYKAEMQW-KRWDZBQOSA-N 2 1 294.442 3.461 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001210561906 814527985 /nfs/dbraw/zinc/52/79/85/814527985.db2.gz XSWCSJWGPJHZMT-DVOMOZLQSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@H]1C[N@H+](C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001210561906 814527988 /nfs/dbraw/zinc/52/79/88/814527988.db2.gz XSWCSJWGPJHZMT-DVOMOZLQSA-N 2 1 294.389 3.097 20 0 CGADMP CC(C)C[C@H](C)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218224392 816132354 /nfs/dbraw/zinc/13/23/54/816132354.db2.gz XJFHUSOFOHSDIO-HNNXBMFYSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1ncccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160059 816364479 /nfs/dbraw/zinc/36/44/79/816364479.db2.gz CIPWJTBGBZTDQK-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001222236886 816381613 /nfs/dbraw/zinc/38/16/13/816381613.db2.gz CPUYNCGLMDMNBQ-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001222236886 816381620 /nfs/dbraw/zinc/38/16/20/816381620.db2.gz CPUYNCGLMDMNBQ-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP c1ccn(-c2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)c1 ZINC001222249300 816385864 /nfs/dbraw/zinc/38/58/64/816385864.db2.gz SDGJNQZXQUDCSV-LJQANCHMSA-N 2 1 295.430 3.195 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)c1 ZINC001222249300 816385871 /nfs/dbraw/zinc/38/58/71/816385871.db2.gz SDGJNQZXQUDCSV-LJQANCHMSA-N 2 1 295.430 3.195 20 0 CGADMP c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc2c1CCC2 ZINC001222308580 816403573 /nfs/dbraw/zinc/40/35/73/816403573.db2.gz JXFPNYNJRJREIA-IBGZPJMESA-N 2 1 284.447 3.283 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316426 816407098 /nfs/dbraw/zinc/40/70/98/816407098.db2.gz WDUDDDSGJZTRQL-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1F ZINC001222315893 816407533 /nfs/dbraw/zinc/40/75/33/816407533.db2.gz QHSFSDCIWNKREW-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1F ZINC001222315893 816407538 /nfs/dbraw/zinc/40/75/38/816407538.db2.gz QHSFSDCIWNKREW-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)cc1F ZINC001222320487 816409031 /nfs/dbraw/zinc/40/90/31/816409031.db2.gz IFDUQABUZDMMNY-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)cc1F ZINC001222320487 816409034 /nfs/dbraw/zinc/40/90/34/816409034.db2.gz IFDUQABUZDMMNY-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Clc1cccc(CCC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222346821 816415129 /nfs/dbraw/zinc/41/51/29/816415129.db2.gz TYFOTGZVNGLMQM-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222346821 816415133 /nfs/dbraw/zinc/41/51/33/816415133.db2.gz TYFOTGZVNGLMQM-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347104 816415238 /nfs/dbraw/zinc/41/52/38/816415238.db2.gz WEPZOMLHHLJYHI-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347104 816415242 /nfs/dbraw/zinc/41/52/42/816415242.db2.gz WEPZOMLHHLJYHI-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222400607 816434023 /nfs/dbraw/zinc/43/40/23/816434023.db2.gz AYSUTVCPAAKURR-ARJAWSKDSA-N 2 1 294.483 3.215 20 0 CGADMP Cc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)c(F)cc1Cl ZINC001222553493 816466364 /nfs/dbraw/zinc/46/63/64/816466364.db2.gz UTRIHZVJDKNMIW-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP CCc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)o1 ZINC001222596150 816475372 /nfs/dbraw/zinc/47/53/72/816475372.db2.gz QTJCPQOMDVMFGC-GOSISDBHSA-N 2 1 296.414 3.031 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)o1 ZINC001222596150 816475375 /nfs/dbraw/zinc/47/53/75/816475375.db2.gz QTJCPQOMDVMFGC-GOSISDBHSA-N 2 1 296.414 3.031 20 0 CGADMP Clc1cccc2[nH]cc(C[N@@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c21 ZINC001222620199 816478875 /nfs/dbraw/zinc/47/88/75/816478875.db2.gz GDZLEWRZZNRINP-XHDPSFHLSA-N 2 1 289.810 3.005 20 0 CGADMP Clc1cccc2[nH]cc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c21 ZINC001222620199 816478877 /nfs/dbraw/zinc/47/88/77/816478877.db2.gz GDZLEWRZZNRINP-XHDPSFHLSA-N 2 1 289.810 3.005 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC001222623203 816480974 /nfs/dbraw/zinc/48/09/74/816480974.db2.gz GEZGNVZDQOHYSG-XJKSGUPXSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC001222623203 816480981 /nfs/dbraw/zinc/48/09/81/816480981.db2.gz GEZGNVZDQOHYSG-XJKSGUPXSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222635208 816486237 /nfs/dbraw/zinc/48/62/37/816486237.db2.gz RSDBJABBNGENEE-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](O[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224135343 816739137 /nfs/dbraw/zinc/73/91/37/816739137.db2.gz VHAHXNZKKKOIEA-MSOLQXFVSA-N 2 1 290.451 3.179 20 0 CGADMP C[C@]1(F)CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232011041 818233111 /nfs/dbraw/zinc/23/31/11/818233111.db2.gz GZHBMYZNFDKIBB-HNNXBMFYSA-N 2 1 261.344 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C2(CC2)C1 ZINC001232148365 818264378 /nfs/dbraw/zinc/26/43/78/818264378.db2.gz CGHXGLSLMWEHOS-ZDUSSCGKSA-N 2 1 276.399 3.262 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Cl)cs3)C2)CC1 ZINC001232280445 818305071 /nfs/dbraw/zinc/30/50/71/818305071.db2.gz OZQYDUXLTYGQIR-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)o1)CC1CC[NH+](C)CC1 ZINC001232444600 818350973 /nfs/dbraw/zinc/35/09/73/818350973.db2.gz ZTHPOSNBZZJPHF-UHFFFAOYSA-N 2 1 290.329 3.072 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccnc(Cl)c1C ZINC001232755379 818434548 /nfs/dbraw/zinc/43/45/48/818434548.db2.gz SGCXPIKSXABOIN-UHFFFAOYSA-N 2 1 283.847 3.207 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnc(Cl)c1C ZINC001232755379 818434549 /nfs/dbraw/zinc/43/45/49/818434549.db2.gz SGCXPIKSXABOIN-UHFFFAOYSA-N 2 1 283.847 3.207 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC001232986632 818493220 /nfs/dbraw/zinc/49/32/20/818493220.db2.gz VNKNHHBOZAKIPR-UHFFFAOYSA-N 2 1 284.447 3.482 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2C1 ZINC001232986246 818493231 /nfs/dbraw/zinc/49/32/31/818493231.db2.gz HPKKZUDUMUSCAQ-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2C1 ZINC001232986246 818493236 /nfs/dbraw/zinc/49/32/36/818493236.db2.gz HPKKZUDUMUSCAQ-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2C1 ZINC001232986246 818493238 /nfs/dbraw/zinc/49/32/38/818493238.db2.gz HPKKZUDUMUSCAQ-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001234991590 818969387 /nfs/dbraw/zinc/96/93/87/818969387.db2.gz HGKUBKXMOOQCSW-IBGZPJMESA-N 2 1 296.414 3.121 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234998871 818974587 /nfs/dbraw/zinc/97/45/87/818974587.db2.gz KYHBSBGDTXEWTF-SFHVURJKSA-N 2 1 272.436 3.386 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1(C)C ZINC001235032625 818984994 /nfs/dbraw/zinc/98/49/94/818984994.db2.gz SAPZHJXUOJFRFN-DOTOQJQBSA-N 2 1 262.441 3.054 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CCCN2 ZINC001235037103 818985682 /nfs/dbraw/zinc/98/56/82/818985682.db2.gz DRAWYECDQMPIGG-LJQANCHMSA-N 2 1 299.462 3.153 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)c1)CCC2 ZINC001235039560 818986423 /nfs/dbraw/zinc/98/64/23/818986423.db2.gz VLSNFTGRRVPWDY-IBGZPJMESA-N 2 1 284.447 3.283 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235044769 818990853 /nfs/dbraw/zinc/99/08/53/818990853.db2.gz KEJGQAAJQYLEDO-GOSISDBHSA-N 2 1 288.435 3.193 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1F ZINC001235047843 818992218 /nfs/dbraw/zinc/99/22/18/818992218.db2.gz WVYIXVKURDHJSO-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1F ZINC001235047843 818992222 /nfs/dbraw/zinc/99/22/22/818992222.db2.gz WVYIXVKURDHJSO-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)cc1Cl ZINC001235094005 818998843 /nfs/dbraw/zinc/99/88/43/818998843.db2.gz WJZLXHHWARRKBH-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP Cc1cc(Cl)c(C[NH+]2CC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC001235092299 818999471 /nfs/dbraw/zinc/99/94/71/818999471.db2.gz HMORKHCNYMJLBP-UHFFFAOYSA-N 2 1 299.245 3.487 20 0 CGADMP Clc1cccc(CCC[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235110071 819005195 /nfs/dbraw/zinc/00/51/95/819005195.db2.gz IFALRCNJFIQESS-MRXNPFEDSA-N 2 1 278.827 3.101 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235110071 819005199 /nfs/dbraw/zinc/00/51/99/819005199.db2.gz IFALRCNJFIQESS-MRXNPFEDSA-N 2 1 278.827 3.101 20 0 CGADMP CCCc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)s1 ZINC001235140189 819014946 /nfs/dbraw/zinc/01/49/46/819014946.db2.gz GDPPNXSCVRQYTJ-UHFFFAOYSA-N 2 1 278.465 3.419 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c2ccccc12 ZINC001235157380 819019344 /nfs/dbraw/zinc/01/93/44/819019344.db2.gz DBAOIWPNTVIKRT-MAUKXSAKSA-N 2 1 266.388 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c2ccccc12 ZINC001235157380 819019350 /nfs/dbraw/zinc/01/93/50/819019350.db2.gz DBAOIWPNTVIKRT-MAUKXSAKSA-N 2 1 266.388 3.071 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235164553 819019801 /nfs/dbraw/zinc/01/98/01/819019801.db2.gz ASKUBAUPPKIFJJ-ZYSHUDEJSA-N 2 1 286.463 3.412 20 0 CGADMP Cc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(C)s1 ZINC001235189754 819029441 /nfs/dbraw/zinc/02/94/41/819029441.db2.gz ANBFQDYZJNVSQF-UHFFFAOYSA-N 2 1 278.465 3.473 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189867 819030508 /nfs/dbraw/zinc/03/05/08/819030508.db2.gz GATZSUBQOZBWRK-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP Fc1cc(F)cc(CC[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191163 819031743 /nfs/dbraw/zinc/03/17/43/819031743.db2.gz QCXNTHWPCAFCEV-UHFFFAOYSA-N 2 1 294.389 3.115 20 0 CGADMP Fc1cc(F)cc(CC[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191163 819031747 /nfs/dbraw/zinc/03/17/47/819031747.db2.gz QCXNTHWPCAFCEV-UHFFFAOYSA-N 2 1 294.389 3.115 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193553 819032804 /nfs/dbraw/zinc/03/28/04/819032804.db2.gz OYAPKNGCULTRSU-IEBWSBKVSA-N 2 1 292.426 3.395 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235241403 819045917 /nfs/dbraw/zinc/04/59/17/819045917.db2.gz UAERMVQHVLSZMV-SJLPKXTDSA-N 2 1 272.436 3.297 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235241403 819045923 /nfs/dbraw/zinc/04/59/23/819045923.db2.gz UAERMVQHVLSZMV-SJLPKXTDSA-N 2 1 272.436 3.297 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC001235253196 819050185 /nfs/dbraw/zinc/05/01/85/819050185.db2.gz CILZVDAIWTXDCS-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254045 819050635 /nfs/dbraw/zinc/05/06/35/819050635.db2.gz APNQCZIKKZUHDO-VQIMIIECSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254045 819050641 /nfs/dbraw/zinc/05/06/41/819050641.db2.gz APNQCZIKKZUHDO-VQIMIIECSA-N 2 1 296.389 3.286 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235257482 819052662 /nfs/dbraw/zinc/05/26/62/819052662.db2.gz ZLTFCJLAIIPTOJ-FCLVOEFKSA-N 2 1 286.463 3.410 20 0 CGADMP CC(C)(C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1)Sc1ccc(Cl)cc1 ZINC001235282904 819061439 /nfs/dbraw/zinc/06/14/39/819061439.db2.gz LBXVEBVTLQMEQT-BTTYYORXSA-N 2 1 296.867 3.100 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235336775 819070275 /nfs/dbraw/zinc/07/02/75/819070275.db2.gz AHUSQSAHHJAPOD-HOTGVXAUSA-N 2 1 264.457 3.300 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)CCCC2)cc1 ZINC001235342225 819072536 /nfs/dbraw/zinc/07/25/36/819072536.db2.gz VFKIBGSMCRAKAW-INIZCTEOSA-N 2 1 284.447 3.040 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1C ZINC001235407470 819087142 /nfs/dbraw/zinc/08/71/42/819087142.db2.gz SBJFMIIDGDMFMU-MSOLQXFVSA-N 2 1 290.426 3.135 20 0 CGADMP c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422355 819092713 /nfs/dbraw/zinc/09/27/13/819092713.db2.gz BWOVACPJDBLLSU-HZPDHXFCSA-N 2 1 297.446 3.380 20 0 CGADMP COc1cc2ccccc2cc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433537 819095865 /nfs/dbraw/zinc/09/58/65/819095865.db2.gz YQVSNQIAPYXMNE-UHFFFAOYSA-N 2 1 298.430 3.280 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccccc1-c1cccs1 ZINC001235435759 819099571 /nfs/dbraw/zinc/09/95/71/819099571.db2.gz XWBLDQUMIAXEOG-UHFFFAOYSA-N 2 1 260.406 3.196 20 0 CGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(C)c1Cl ZINC001235464321 819105203 /nfs/dbraw/zinc/10/52/03/819105203.db2.gz CPKCNDDBOSFCGH-UHFFFAOYSA-N 2 1 266.816 3.141 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC001235474745 819108164 /nfs/dbraw/zinc/10/81/64/819108164.db2.gz UFMVKXZYTPJIOF-OAHLLOKOSA-N 2 1 252.446 3.443 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235674295 819135449 /nfs/dbraw/zinc/13/54/49/819135449.db2.gz REDIOLJZXBLNCP-HZPDHXFCSA-N 2 1 252.446 3.430 20 0 CGADMP c1ccc(C[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235713438 819148669 /nfs/dbraw/zinc/14/86/69/819148669.db2.gz AEXHEVALQYGBPT-SFHVURJKSA-N 2 1 292.426 3.354 20 0 CGADMP C[C@@H](CC[N@H+]1CCCC2(C[NH2+]C2)C1)CC(C)(C)C ZINC001235712015 819148719 /nfs/dbraw/zinc/14/87/19/819148719.db2.gz XVFYYZZMHIFPKX-AWEZNQCLSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235715994 819149812 /nfs/dbraw/zinc/14/98/12/819149812.db2.gz ZZMSHUCCFYDGIO-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235726090 819154911 /nfs/dbraw/zinc/15/49/11/819154911.db2.gz MQYQNMLKMWMJLC-GJZGRUSLSA-N 2 1 276.399 3.005 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001235748882 819160142 /nfs/dbraw/zinc/16/01/42/819160142.db2.gz DXYSSFOPNMQCRZ-GOSISDBHSA-N 2 1 294.442 3.252 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235761515 819161089 /nfs/dbraw/zinc/16/10/89/819161089.db2.gz LXVSUJSMRKFHAM-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP C[N@H+](CCc1ccc(Cl)cc1)CC[C@H]1CCCC[NH2+]1 ZINC001235840583 819181826 /nfs/dbraw/zinc/18/18/26/819181826.db2.gz PXJUHOHAPFLNAM-MRXNPFEDSA-N 2 1 280.843 3.347 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCCCCOCc1ccccc1 ZINC001235894109 819203821 /nfs/dbraw/zinc/20/38/21/819203821.db2.gz ZXPWBSNXKNNTKW-WMZOPIPTSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCCCCOCc1ccccc1 ZINC001235894109 819203825 /nfs/dbraw/zinc/20/38/25/819203825.db2.gz ZXPWBSNXKNNTKW-WMZOPIPTSA-N 2 1 290.451 3.185 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925137 819223684 /nfs/dbraw/zinc/22/36/84/819223684.db2.gz CICCVMGYIUSBIE-HNNXBMFYSA-N 2 1 276.424 3.177 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925666 819224251 /nfs/dbraw/zinc/22/42/51/819224251.db2.gz OGDBROGYINKZHC-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP CC[C@H]1CCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001235927922 819226110 /nfs/dbraw/zinc/22/61/10/819226110.db2.gz OXLDPSKHTHAUPP-ZDUSSCGKSA-N 2 1 264.438 3.158 20 0 CGADMP CC1(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]CC1 ZINC001235936080 819231930 /nfs/dbraw/zinc/23/19/30/819231930.db2.gz ZWIJLLHDMZKGMT-HNNXBMFYSA-N 2 1 276.399 3.005 20 0 CGADMP Fc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235942857 819234428 /nfs/dbraw/zinc/23/44/28/819234428.db2.gz YHKIQNIWMOUQKY-HIFRSBDPSA-N 2 1 284.378 3.020 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235941950 819234795 /nfs/dbraw/zinc/23/47/95/819234795.db2.gz XKSYKJHXIURPLE-OCCSQVGLSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235941950 819234797 /nfs/dbraw/zinc/23/47/97/819234797.db2.gz XKSYKJHXIURPLE-OCCSQVGLSA-N 2 1 298.352 3.055 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001235949770 819239903 /nfs/dbraw/zinc/23/99/03/819239903.db2.gz SSTDZPYGBBBHMJ-HNNXBMFYSA-N 2 1 264.388 3.134 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)cc21 ZINC001235951792 819241371 /nfs/dbraw/zinc/24/13/71/819241371.db2.gz TVCQXJQXWXQDEM-MRXNPFEDSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@H](CC[N@@H+](C)C[C@H]1CCC[NH2+]C1)CC(C)(C)C ZINC001235950662 819241944 /nfs/dbraw/zinc/24/19/44/819241944.db2.gz KYPKMDOAPGFIPU-CABCVRRESA-N 2 1 254.462 3.380 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc3c(F)cccc13)C2 ZINC001235959600 819248366 /nfs/dbraw/zinc/24/83/66/819248366.db2.gz KXCYDCAUYWGEMU-ZSBFGKGUSA-N 2 1 284.378 3.148 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235961461 819250112 /nfs/dbraw/zinc/25/01/12/819250112.db2.gz BDXIPOACMFPSBG-AWEZNQCLSA-N 2 1 296.414 3.491 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989718 819262230 /nfs/dbraw/zinc/26/22/30/819262230.db2.gz JOTNJSOTRHKKHT-VQIMIIECSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989718 819262237 /nfs/dbraw/zinc/26/22/37/819262237.db2.gz JOTNJSOTRHKKHT-VQIMIIECSA-N 2 1 296.389 3.416 20 0 CGADMP FC1CC2(C1)CCC[N@@H+](CC1CC3(C1)CC[NH2+]CC3)CC2 ZINC001235993362 819263807 /nfs/dbraw/zinc/26/38/07/819263807.db2.gz NDAWZKFWGYXWQX-UHFFFAOYSA-N 2 1 294.458 3.370 20 0 CGADMP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@H+](CCC2CCCCC2)C3)cc1 ZINC001236007870 819272005 /nfs/dbraw/zinc/27/20/05/819272005.db2.gz ZXLNIHVKDJICSM-UXHICEINSA-N 2 1 298.474 3.430 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(C(C)(C)C)CC1 ZINC001236007412 819272493 /nfs/dbraw/zinc/27/24/93/819272493.db2.gz BFIPOOJYQYXOBI-WLYUNCDWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014656 819275582 /nfs/dbraw/zinc/27/55/82/819275582.db2.gz IYWYUHWSHROGSM-LSBZLQRGSA-N 2 1 286.463 3.196 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014656 819275586 /nfs/dbraw/zinc/27/55/86/819275586.db2.gz IYWYUHWSHROGSM-LSBZLQRGSA-N 2 1 286.463 3.196 20 0 CGADMP Fc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001236046964 819284748 /nfs/dbraw/zinc/28/47/48/819284748.db2.gz DVBYBPFVMSHLTC-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)cc(OC(C)C)cc2C)C1 ZINC001236066954 819298119 /nfs/dbraw/zinc/29/81/19/819298119.db2.gz KZSVPQPAWKUSAO-MRXNPFEDSA-N 2 1 290.451 3.132 20 0 CGADMP COc1ccc2cc(C[N@@H+]3CCC[NH2+][C@@H](C)C3)ccc2c1 ZINC001236095501 819314611 /nfs/dbraw/zinc/31/46/11/819314611.db2.gz VOFKEPINQRLNHQ-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[NH2+][C@@H](C)C3)ccc2c1 ZINC001236095501 819314615 /nfs/dbraw/zinc/31/46/15/819314615.db2.gz VOFKEPINQRLNHQ-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1SC ZINC001236108093 819324499 /nfs/dbraw/zinc/32/44/99/819324499.db2.gz IQPQWGGULPYHBK-GXTWGEPZSA-N 2 1 264.438 3.283 20 0 CGADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1SC ZINC001236108093 819324506 /nfs/dbraw/zinc/32/45/06/819324506.db2.gz IQPQWGGULPYHBK-GXTWGEPZSA-N 2 1 264.438 3.283 20 0 CGADMP CC1(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CC[NH2+]CC1 ZINC001236123948 819331567 /nfs/dbraw/zinc/33/15/67/819331567.db2.gz INKSKRLFRFDLRK-INIZCTEOSA-N 2 1 294.389 3.491 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)c(F)c1C)C1CC[NH2+]CC1 ZINC001236185040 819359588 /nfs/dbraw/zinc/35/95/88/819359588.db2.gz SZKFVMYPGWXHLP-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP Cc1nc2cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])ccc2s1 ZINC001236218963 819385914 /nfs/dbraw/zinc/38/59/14/819385914.db2.gz TZHQNPBXFIJNSL-UKRRQHHQSA-N 2 1 289.448 3.306 20 0 CGADMP Cc1nc2cc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])ccc2s1 ZINC001236218963 819385918 /nfs/dbraw/zinc/38/59/18/819385918.db2.gz TZHQNPBXFIJNSL-UKRRQHHQSA-N 2 1 289.448 3.306 20 0 CGADMP CC1=CC[C@@H](CC[N@H+](C)C2(C)CC[NH2+]CC2)C1(C)C ZINC001236224063 819389892 /nfs/dbraw/zinc/38/98/92/819389892.db2.gz QYDMAFDPMMCATJ-HNNXBMFYSA-N 2 1 264.457 3.443 20 0 CGADMP CC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccc(C)c(C)c1 ZINC001236240818 819399378 /nfs/dbraw/zinc/39/93/78/819399378.db2.gz MPGXDCNDGLFWSG-KRWDZBQOSA-N 2 1 290.451 3.240 20 0 CGADMP CC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccc(C)c(C)c1 ZINC001236240818 819399384 /nfs/dbraw/zinc/39/93/84/819399384.db2.gz MPGXDCNDGLFWSG-KRWDZBQOSA-N 2 1 290.451 3.240 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])Cc1cccc(F)c1F ZINC001236240037 819399871 /nfs/dbraw/zinc/39/98/71/819399871.db2.gz HZDRQBJUDNENEO-UHFFFAOYSA-N 2 1 270.367 3.306 20 0 CGADMP CCCCc1ccc(C[NH+]2CCC[NH2+]CCC2)s1 ZINC001236239635 819400054 /nfs/dbraw/zinc/40/00/54/819400054.db2.gz JUUUPDPFMJBAFW-UHFFFAOYSA-N 2 1 266.454 3.276 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c2ccccc12 ZINC001236245878 819402694 /nfs/dbraw/zinc/40/26/94/819402694.db2.gz SABBHGNAZHZFFA-OAHLLOKOSA-N 2 1 254.377 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c2ccccc12 ZINC001236245878 819402702 /nfs/dbraw/zinc/40/27/02/819402702.db2.gz SABBHGNAZHZFFA-OAHLLOKOSA-N 2 1 254.377 3.071 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287305 819413655 /nfs/dbraw/zinc/41/36/55/819413655.db2.gz RBSLLQSVMNZOBW-HNNXBMFYSA-N 2 1 260.425 3.287 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Cl ZINC001236322386 819424575 /nfs/dbraw/zinc/42/45/75/819424575.db2.gz UYYGETDRRDRMTB-GASCZTMLSA-N 2 1 278.827 3.080 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367253 819436570 /nfs/dbraw/zinc/43/65/70/819436570.db2.gz LJVTUOYZVRHQOB-AWEZNQCLSA-N 2 1 278.415 3.426 20 0 CGADMP CC[C@H](C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236370362 819439519 /nfs/dbraw/zinc/43/95/19/819439519.db2.gz DRIIPMBVPMOMDP-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+](Cc1cc2ccccc2s1)C[C@@H]1CC[NH2+]C1 ZINC001236409518 819455492 /nfs/dbraw/zinc/45/54/92/819455492.db2.gz VMUSUYDYINYOMH-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP CC[N@H+](Cc1c(C)cc(Cl)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236411651 819457930 /nfs/dbraw/zinc/45/79/30/819457930.db2.gz NTMPBGGHRQEFPA-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001236414643 819460012 /nfs/dbraw/zinc/46/00/12/819460012.db2.gz LOUGRWIIUVDVJE-FUHWJXTLSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001236414643 819460015 /nfs/dbraw/zinc/46/00/15/819460015.db2.gz LOUGRWIIUVDVJE-FUHWJXTLSA-N 2 1 290.451 3.185 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236433865 819476839 /nfs/dbraw/zinc/47/68/39/819476839.db2.gz IWRZLFSIGRZRKX-GJZGRUSLSA-N 2 1 256.409 3.132 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCC[NH2+]C1 ZINC001236471129 819491285 /nfs/dbraw/zinc/49/12/85/819491285.db2.gz VMMQZXKWBNAVJU-CQSZACIVSA-N 2 1 289.398 3.269 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCC[NH2+]C1 ZINC001236471129 819491289 /nfs/dbraw/zinc/49/12/89/819491289.db2.gz VMMQZXKWBNAVJU-CQSZACIVSA-N 2 1 289.398 3.269 20 0 CGADMP COc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236477820 819495450 /nfs/dbraw/zinc/49/54/50/819495450.db2.gz OKXMPPVPBMOEAQ-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP COc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236477820 819495451 /nfs/dbraw/zinc/49/54/51/819495451.db2.gz OKXMPPVPBMOEAQ-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1cc(F)cc(C[N@H+](C[C@H]2C[C@H]2C)C2CC[NH2+]CC2)c1 ZINC001236481552 819497850 /nfs/dbraw/zinc/49/78/50/819497850.db2.gz WYTOHIFBYDQCGB-GDBMZVCRSA-N 2 1 290.426 3.344 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502698 819505944 /nfs/dbraw/zinc/50/59/44/819505944.db2.gz WWHXSWSCDIABGI-TZMCWYRMSA-N 2 1 294.389 3.175 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502698 819505947 /nfs/dbraw/zinc/50/59/47/819505947.db2.gz WWHXSWSCDIABGI-TZMCWYRMSA-N 2 1 294.389 3.175 20 0 CGADMP C[C@H]1C[C@@H]1C[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502694 819506145 /nfs/dbraw/zinc/50/61/45/819506145.db2.gz WWHXSWSCDIABGI-GXTWGEPZSA-N 2 1 294.389 3.175 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502694 819506149 /nfs/dbraw/zinc/50/61/49/819506149.db2.gz WWHXSWSCDIABGI-GXTWGEPZSA-N 2 1 294.389 3.175 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584892 819545715 /nfs/dbraw/zinc/54/57/15/819545715.db2.gz ZSYDCVGBRKWMEI-BBWFWOEESA-N 2 1 276.468 3.443 20 0 CGADMP C(CC1CCCC1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584545 819545945 /nfs/dbraw/zinc/54/59/45/819545945.db2.gz LLUMGDPBXUTTRM-MRXNPFEDSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc(F)c1F ZINC001236601978 819549722 /nfs/dbraw/zinc/54/97/22/819549722.db2.gz RKLRMLWDCNGPIE-ZDUSSCGKSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc(F)c1F ZINC001236601978 819549724 /nfs/dbraw/zinc/54/97/24/819549724.db2.gz RKLRMLWDCNGPIE-ZDUSSCGKSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c2ccccc12 ZINC001236604796 819550366 /nfs/dbraw/zinc/55/03/66/819550366.db2.gz OBTDAEXNNDVFCJ-GOSISDBHSA-N 2 1 268.404 3.319 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236605441 819550919 /nfs/dbraw/zinc/55/09/19/819550919.db2.gz UOQFHMAIXLFUIM-IBGZPJMESA-N 2 1 298.430 3.409 20 0 CGADMP Fc1cccc(CCC[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236633797 819557496 /nfs/dbraw/zinc/55/74/96/819557496.db2.gz MBSFCFXOFCXHMM-UHFFFAOYSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681960 819569996 /nfs/dbraw/zinc/56/99/96/819569996.db2.gz MEVACOYTRLIGAM-VDHUWJSZSA-N 2 1 272.436 3.415 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1ccccc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782250 819593618 /nfs/dbraw/zinc/59/36/18/819593618.db2.gz GZDIZIKCMWUGRJ-WKILWMFISA-N 2 1 289.467 3.387 20 0 CGADMP CCC(CC)[N@@H+](C[C@H]1C[C@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783326 819593681 /nfs/dbraw/zinc/59/36/81/819593681.db2.gz SNLCKUOFWQBRHT-IXYNUQLISA-N 2 1 252.446 3.403 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC(C)=C[C@H]1C ZINC001236825895 819607986 /nfs/dbraw/zinc/60/79/86/819607986.db2.gz AYUGCEJUBMKFGZ-BRWVUGGUSA-N 2 1 264.457 3.300 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236821531 819608551 /nfs/dbraw/zinc/60/85/51/819608551.db2.gz VJISMUCPVUUWIG-YHUYYLMFSA-N 2 1 250.430 3.038 20 0 CGADMP CCC[N@H+](Cc1cccc(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236834285 819613324 /nfs/dbraw/zinc/61/33/24/819613324.db2.gz GMOZMUKVCSSFTJ-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP CCC[N@H+](Cc1c[nH]c2c1cccc2C)C[C@H]1CC[NH2+]C1 ZINC001236833438 819613847 /nfs/dbraw/zinc/61/38/47/819613847.db2.gz BHFYZCADSJSYJH-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@H+](Cc1c(C)cccc1CC)C[C@H]1CC[NH2+]C1 ZINC001236844168 819620180 /nfs/dbraw/zinc/62/01/80/819620180.db2.gz UNCLEDLSSPJBGF-INIZCTEOSA-N 2 1 274.452 3.379 20 0 CGADMP CCC[N@@H+](Cc1cc(C)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843941 819620606 /nfs/dbraw/zinc/62/06/06/819620606.db2.gz NMBUUUIKWNMSLO-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1cc(C)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843941 819620610 /nfs/dbraw/zinc/62/06/10/819620610.db2.gz NMBUUUIKWNMSLO-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237056895 819654227 /nfs/dbraw/zinc/65/42/27/819654227.db2.gz KZSFIXXXPQVRGE-CVEARBPZSA-N 2 1 252.446 3.430 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237081956 819662788 /nfs/dbraw/zinc/66/27/88/819662788.db2.gz ODNOPDSKCYPGBC-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237082934 819663767 /nfs/dbraw/zinc/66/37/67/819663767.db2.gz VHTVZFUCTSMIKT-MRXNPFEDSA-N 2 1 278.465 3.359 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC001237203483 819697725 /nfs/dbraw/zinc/69/77/25/819697725.db2.gz HIMIKCRRJPPASM-FMKPAKJESA-N 2 1 268.404 3.365 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC001237203483 819697726 /nfs/dbraw/zinc/69/77/26/819697726.db2.gz HIMIKCRRJPPASM-FMKPAKJESA-N 2 1 268.404 3.365 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237204275 819697860 /nfs/dbraw/zinc/69/78/60/819697860.db2.gz MHBBCOXEPBLNCT-ZIAGYGMSSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001237204275 819697865 /nfs/dbraw/zinc/69/78/65/819697865.db2.gz MHBBCOXEPBLNCT-ZIAGYGMSSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237204275 819697867 /nfs/dbraw/zinc/69/78/67/819697867.db2.gz MHBBCOXEPBLNCT-ZIAGYGMSSA-N 2 1 286.410 3.133 20 0 CGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](CC2CCCC2)CC1 ZINC001237274311 819713426 /nfs/dbraw/zinc/71/34/26/819713426.db2.gz AGVOJTBSFDWYDW-UHFFFAOYSA-N 2 1 284.447 3.314 20 0 CGADMP CCc1ncc(C[N@@H+](C(C)C)C2CCN(C)CC2)s1 ZINC001237830585 819855768 /nfs/dbraw/zinc/85/57/68/819855768.db2.gz QJRXREBGMPYQFX-UHFFFAOYSA-N 2 1 281.469 3.010 20 0 CGADMP CCc1ncc(CN(C(C)C)C2CC[NH+](C)CC2)s1 ZINC001237830585 819855777 /nfs/dbraw/zinc/85/57/77/819855777.db2.gz QJRXREBGMPYQFX-UHFFFAOYSA-N 2 1 281.469 3.010 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)CCC1(F)F ZINC001238104615 819936099 /nfs/dbraw/zinc/93/60/99/819936099.db2.gz YGMITCBFQZINPW-GFCCVEGCSA-N 2 1 279.334 3.202 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)CCC1(F)F ZINC001238104615 819936104 /nfs/dbraw/zinc/93/61/04/819936104.db2.gz YGMITCBFQZINPW-GFCCVEGCSA-N 2 1 279.334 3.202 20 0 CGADMP C[C@H]([NH3+])c1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001240390146 821014485 /nfs/dbraw/zinc/01/44/85/821014485.db2.gz DDZIDCWIKMGBLM-HNNXBMFYSA-N 2 1 293.414 3.391 20 0 CGADMP C[N@H+]1CC[C@@H](c2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc2)C1 ZINC001240459563 821072680 /nfs/dbraw/zinc/07/26/80/821072680.db2.gz YUZUDHVIXHIZBW-HXUWFJFHSA-N 2 1 292.426 3.418 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1C1([NH3+])CC1 ZINC001241250172 821671202 /nfs/dbraw/zinc/67/12/02/821671202.db2.gz GKABGWRIPRJWCI-UHFFFAOYSA-N 2 1 267.376 3.071 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C3=CC[N@@H+](C)CC3)cc21 ZINC001241330567 821737517 /nfs/dbraw/zinc/73/75/17/821737517.db2.gz VNAJAQAINJYVDC-UHFFFAOYSA-N 2 1 268.404 3.407 20 0 CGADMP Cc1cc(C)c(-c2ccc(CN3CC[NH2+]CC3)cc2)c(C)[nH+]1 ZINC001241981995 822254940 /nfs/dbraw/zinc/25/49/40/822254940.db2.gz OEXYMDDYQNXCAD-UHFFFAOYSA-N 2 1 295.430 3.079 20 0 CGADMP Cc1cc(N)ncc1-c1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001242078353 822337980 /nfs/dbraw/zinc/33/79/80/822337980.db2.gz HVILLSFASLJSPE-CQSZACIVSA-N 2 1 296.418 3.409 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001242078353 822337992 /nfs/dbraw/zinc/33/79/92/822337992.db2.gz HVILLSFASLJSPE-CQSZACIVSA-N 2 1 296.418 3.409 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001242078353 822338003 /nfs/dbraw/zinc/33/80/03/822338003.db2.gz HVILLSFASLJSPE-CQSZACIVSA-N 2 1 296.418 3.409 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC001340517688 936407263 /nfs/dbraw/zinc/40/72/63/936407263.db2.gz VKDCHEUEKZDBLR-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C12CCCC2 ZINC001341793042 936451061 /nfs/dbraw/zinc/45/10/61/936451061.db2.gz ITVAPFYDAFPEGG-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001350637009 936997337 /nfs/dbraw/zinc/99/73/37/936997337.db2.gz VVEYHRKAHJKACR-JFIYKMOQSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCC[NH+](CC)CC ZINC001167841859 927029567 /nfs/dbraw/zinc/02/95/67/927029567.db2.gz SODDEONFHWWOBX-KRWDZBQOSA-N 3 1 285.520 3.161 20 0 CGADMP CCC[N@H+](CCCN(C)C)[C@@H](C)CCC[NH+](CC)CC ZINC001167841859 927029574 /nfs/dbraw/zinc/02/95/74/927029574.db2.gz SODDEONFHWWOBX-KRWDZBQOSA-N 2 1 285.520 3.161 20 0 CGADMP CCC[N@@H+](CCCN(C)C)[C@@H](C)CCC[NH+](CC)CC ZINC001167841859 927029589 /nfs/dbraw/zinc/02/95/89/927029589.db2.gz SODDEONFHWWOBX-KRWDZBQOSA-N 2 1 285.520 3.161 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC001324542483 928093803 /nfs/dbraw/zinc/09/38/03/928093803.db2.gz MRNLBUJTPPFRMM-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459925746 937506492 /nfs/dbraw/zinc/50/64/92/937506492.db2.gz SRXBHPAGBDNSQW-VQHPVUNQSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648156 937537953 /nfs/dbraw/zinc/53/79/53/937537953.db2.gz CAZGFLQKVDWUFT-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648156 937537955 /nfs/dbraw/zinc/53/79/55/937537955.db2.gz CAZGFLQKVDWUFT-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648156 937537956 /nfs/dbraw/zinc/53/79/56/937537956.db2.gz CAZGFLQKVDWUFT-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648156 937537958 /nfs/dbraw/zinc/53/79/58/937537958.db2.gz CAZGFLQKVDWUFT-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648156 937537960 /nfs/dbraw/zinc/53/79/60/937537960.db2.gz CAZGFLQKVDWUFT-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001460803340 937546124 /nfs/dbraw/zinc/54/61/24/937546124.db2.gz XFEWMJATSHSTQY-AWEZNQCLSA-N 2 1 273.424 3.028 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)CC1CCCCC1 ZINC001461176072 937568124 /nfs/dbraw/zinc/56/81/24/937568124.db2.gz BFKAXNPUNUXYST-JQHSSLGASA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)CC1CCCCC1 ZINC001461176072 937568125 /nfs/dbraw/zinc/56/81/25/937568125.db2.gz BFKAXNPUNUXYST-JQHSSLGASA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)c1ccccc1 ZINC001461832101 937600590 /nfs/dbraw/zinc/60/05/90/937600590.db2.gz RXBRAYRBPCYRMV-YDZRNGNQSA-N 2 1 286.463 3.356 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001461847797 937601751 /nfs/dbraw/zinc/60/17/51/937601751.db2.gz CYFBANIOKGOSJV-APWZRJJASA-N 2 1 286.463 3.281 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)o1 ZINC001462471301 937643693 /nfs/dbraw/zinc/64/36/93/937643693.db2.gz LRQLQLWQOGPTPW-HOCLYGCPSA-N 2 1 294.439 3.231 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)o1 ZINC001462471301 937643696 /nfs/dbraw/zinc/64/36/96/937643696.db2.gz LRQLQLWQOGPTPW-HOCLYGCPSA-N 2 1 294.439 3.231 20 0 CGADMP C[C@@H](Cc1cccs1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001307522179 932965727 /nfs/dbraw/zinc/96/57/27/932965727.db2.gz WCUSGBUESMKLOG-HNNXBMFYSA-N 2 1 280.481 3.487 20 0 CGADMP c1cc(N2CCC[N@H+](CC34CCC(CC3)C4)CC2)cc[nH+]1 ZINC001307875248 933013836 /nfs/dbraw/zinc/01/38/36/933013836.db2.gz JJKUZCALXNBUSI-UHFFFAOYSA-N 2 1 285.435 3.174 20 0 CGADMP Cc1cc(C)cc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001308274797 933085780 /nfs/dbraw/zinc/08/57/80/933085780.db2.gz BMIFHPMIRYMPFU-UHFFFAOYSA-N 2 1 283.419 3.097 20 0 CGADMP COc1ccc(C)cc1C[NH2+]CCCCn1cc[nH+]c1C ZINC001308282317 933087229 /nfs/dbraw/zinc/08/72/29/933087229.db2.gz HWIBZFQXXHSDKS-UHFFFAOYSA-N 2 1 287.407 3.079 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001462670014 937658567 /nfs/dbraw/zinc/65/85/67/937658567.db2.gz PGORSIXYBOFRGR-FVCCEPFGSA-N 2 1 278.362 3.037 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001308399878 933106644 /nfs/dbraw/zinc/10/66/44/933106644.db2.gz RAZOCAIQTIRZMO-IXDOHACOSA-N 2 1 264.457 3.443 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001308399878 933106647 /nfs/dbraw/zinc/10/66/47/933106647.db2.gz RAZOCAIQTIRZMO-IXDOHACOSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001308554335 933131543 /nfs/dbraw/zinc/13/15/43/933131543.db2.gz OGWOHJQVQZEZOB-XGXHKWSGSA-N 2 1 286.463 3.185 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC(C)(C)Oc1ccccc1 ZINC001308586155 933138847 /nfs/dbraw/zinc/13/88/47/933138847.db2.gz VUIKOSQOTRCGCB-INIZCTEOSA-N 2 1 290.451 3.118 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC(C)(C)Oc1ccccc1 ZINC001308586155 933138848 /nfs/dbraw/zinc/13/88/48/933138848.db2.gz VUIKOSQOTRCGCB-INIZCTEOSA-N 2 1 290.451 3.118 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC(C)(C)Oc1ccccc1 ZINC001308586155 933138853 /nfs/dbraw/zinc/13/88/53/933138853.db2.gz VUIKOSQOTRCGCB-INIZCTEOSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]CCc1cccc(Cl)c1 ZINC001308735526 933167073 /nfs/dbraw/zinc/16/70/73/933167073.db2.gz HJZMVVBDNAEBAN-CYBMUJFWSA-N 2 1 268.832 3.202 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001308753271 933170392 /nfs/dbraw/zinc/17/03/92/933170392.db2.gz NKSFJUCFKJCXCI-QAPCUYQASA-N 2 1 272.436 3.411 20 0 CGADMP COC1(C[NH2+]CCCC[N@@H+](C)C2CC2)CCCCCC1 ZINC001308805413 933180170 /nfs/dbraw/zinc/18/01/70/933180170.db2.gz UTATWUNKHJAOKP-UHFFFAOYSA-N 2 1 282.472 3.190 20 0 CGADMP Fc1cc(Cl)ccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001308810660 933181519 /nfs/dbraw/zinc/18/15/19/933181519.db2.gz REJXRLQIQHTTHO-UHFFFAOYSA-N 2 1 289.741 3.417 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2CC2CCCC2)CC1 ZINC001308842465 933188194 /nfs/dbraw/zinc/18/81/94/933188194.db2.gz UJOXKUOPZOPVCS-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H](C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C(C)(C)C ZINC001308930328 933206555 /nfs/dbraw/zinc/20/65/55/933206555.db2.gz IWGGOIIONAYURG-CQSZACIVSA-N 2 1 286.423 3.381 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCC34CCCCC4)[C@@H]2C1 ZINC001308985036 933223488 /nfs/dbraw/zinc/22/34/88/933223488.db2.gz VYGZNAREOZFYRV-VVLHAWIVSA-N 2 1 276.468 3.419 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001319281828 933852944 /nfs/dbraw/zinc/85/29/44/933852944.db2.gz CVCBYWAGMHMWHI-RYQLBKOJSA-N 2 1 272.436 3.142 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755715 933927813 /nfs/dbraw/zinc/92/78/13/933927813.db2.gz REPIWUOFWXWUBP-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755715 933927817 /nfs/dbraw/zinc/92/78/17/933927817.db2.gz REPIWUOFWXWUBP-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C[C@@H](C)C1 ZINC001320071030 933992390 /nfs/dbraw/zinc/99/23/90/933992390.db2.gz MPZYTVCPZCLRKC-CWVYHPPDSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)[C@@H]2CCC[C@@H]21 ZINC001322071549 934239196 /nfs/dbraw/zinc/23/91/96/934239196.db2.gz WRDRAJSIELUBDZ-FHWLQOOXSA-N 2 1 284.447 3.138 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001323904348 934437309 /nfs/dbraw/zinc/43/73/09/934437309.db2.gz NWHGHVQLUJWXMJ-YESZJQIVSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001323904348 934437313 /nfs/dbraw/zinc/43/73/13/934437313.db2.gz NWHGHVQLUJWXMJ-YESZJQIVSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001323904348 934437318 /nfs/dbraw/zinc/43/73/18/934437318.db2.gz NWHGHVQLUJWXMJ-YESZJQIVSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001323904348 934437322 /nfs/dbraw/zinc/43/73/22/934437322.db2.gz NWHGHVQLUJWXMJ-YESZJQIVSA-N 2 1 264.457 3.373 20 0 CGADMP CSCC1CCC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001324423227 934501420 /nfs/dbraw/zinc/50/14/20/934501420.db2.gz AUULRADSODQNFM-CKUJCDMFSA-N 2 1 284.513 3.371 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC3(CCC3)C2)C[C@@H]1C ZINC001473211341 937797638 /nfs/dbraw/zinc/79/76/38/937797638.db2.gz XVXLMTWDXFQNIQ-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H](C[NH2+]CCc1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC001325036099 934883942 /nfs/dbraw/zinc/88/39/42/934883942.db2.gz ACEAVRORKSSMHH-OAHLLOKOSA-N 2 1 278.415 3.078 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n(C2CC2)c1 ZINC001325118002 934887454 /nfs/dbraw/zinc/88/74/54/934887454.db2.gz REUOUOIONXVBTR-MRXNPFEDSA-N 2 1 287.451 3.273 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n(C2CC2)c1 ZINC001325118002 934887456 /nfs/dbraw/zinc/88/74/56/934887456.db2.gz REUOUOIONXVBTR-MRXNPFEDSA-N 2 1 287.451 3.273 20 0 CGADMP Fc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001325743433 934925673 /nfs/dbraw/zinc/92/56/73/934925673.db2.gz NHJJIJNMDGWWSX-VHDGCEQUSA-N 2 1 296.817 3.489 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001326035272 934945611 /nfs/dbraw/zinc/94/56/11/934945611.db2.gz HGAKIXNCOOGSFB-OAHLLOKOSA-N 2 1 268.404 3.364 20 0 CGADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)C1 ZINC001329226410 935197676 /nfs/dbraw/zinc/19/76/76/935197676.db2.gz YMDWXDSSRHSYKE-CVEARBPZSA-N 2 1 296.503 3.047 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564109 935228225 /nfs/dbraw/zinc/22/82/25/935228225.db2.gz DUSHWQSWRUNLTD-QWHCGFSZSA-N 2 1 297.393 3.402 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564109 935228228 /nfs/dbraw/zinc/22/82/28/935228228.db2.gz DUSHWQSWRUNLTD-QWHCGFSZSA-N 2 1 297.393 3.402 20 0 CGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccn2C2CC2)C1 ZINC001331259151 935362610 /nfs/dbraw/zinc/36/26/10/935362610.db2.gz YYJBPVWKGFXCHA-HOTGVXAUSA-N 2 1 289.467 3.281 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC001333586041 935549176 /nfs/dbraw/zinc/54/91/76/935549176.db2.gz CLKHZLXPIJBGNG-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccsc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001333891332 936073619 /nfs/dbraw/zinc/07/36/19/936073619.db2.gz KIOQKVXQCPHNRE-RRFJBIMHSA-N 2 1 278.465 3.219 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3Cc4ccccc4C3)C[C@H]2C1 ZINC001333891042 936073857 /nfs/dbraw/zinc/07/38/57/936073857.db2.gz IPJPAYCFIBCIQJ-XUVXKRRUSA-N 2 1 298.474 3.064 20 0 CGADMP Cc1[nH+]ccn1CCCCNc1cc(C)nc(C2CCC2)n1 ZINC001335431142 936145191 /nfs/dbraw/zinc/14/51/91/936145191.db2.gz BBSPFBFGBRUFJR-UHFFFAOYSA-N 2 1 299.422 3.450 20 0 CGADMP C[C@@]12CN(c3cc[nH+]cc3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001336416498 936192522 /nfs/dbraw/zinc/19/25/22/936192522.db2.gz DOVAXFAIVFVQTH-PKOBYXMFSA-N 2 1 293.414 3.040 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C[C@@H]1C ZINC001338076166 936305452 /nfs/dbraw/zinc/30/54/52/936305452.db2.gz XVEIBVQKICXYBT-LYYZXLFJSA-N 2 1 252.446 3.274 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C/C=C\c1cccc(F)c1 ZINC001473912728 937829508 /nfs/dbraw/zinc/82/95/08/937829508.db2.gz VGAQKGZNASAITP-TWGQIWQCSA-N 2 1 264.388 3.160 20 0 CGADMP CC(C)n1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC001473936609 937831373 /nfs/dbraw/zinc/83/13/73/937831373.db2.gz CVAVXHXLDWPTDL-MRXNPFEDSA-N 2 1 292.471 3.208 20 0 CGADMP CCCn1cncc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC001473937534 937831403 /nfs/dbraw/zinc/83/14/03/937831403.db2.gz YFVHFLMFKXYUOQ-MRXNPFEDSA-N 2 1 292.471 3.037 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001473957419 937832235 /nfs/dbraw/zinc/83/22/35/937832235.db2.gz OOTIEEDFFQLJEB-BRWVUGGUSA-N 2 1 296.499 3.434 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001473957419 937832236 /nfs/dbraw/zinc/83/22/36/937832236.db2.gz OOTIEEDFFQLJEB-BRWVUGGUSA-N 2 1 296.499 3.434 20 0 CGADMP CCOc1cccc(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC001474020063 937835842 /nfs/dbraw/zinc/83/58/42/937835842.db2.gz JPSIDRUSANUQDN-UHFFFAOYSA-N 2 1 287.407 3.160 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)ccc1Cl ZINC001474301433 937849208 /nfs/dbraw/zinc/84/92/08/937849208.db2.gz KHFVTNDDNXCNAX-IIAWOOMASA-N 2 1 278.827 3.078 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1Cl ZINC001474301436 937849525 /nfs/dbraw/zinc/84/95/25/937849525.db2.gz KHFVTNDDNXCNAX-SQWLQELKSA-N 2 1 278.827 3.078 20 0 CGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC001550473992 938166830 /nfs/dbraw/zinc/16/68/30/938166830.db2.gz ZKLURJIEGXUXGI-PREGVCBESA-N 2 1 288.410 3.336 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC([NH3+])C2)CCc2ccc(Cl)cc21 ZINC001550705625 938170239 /nfs/dbraw/zinc/17/02/39/938170239.db2.gz XUGCEVLZFMYTSS-XIKARTHZSA-N 2 1 278.827 3.039 20 0 CGADMP CCC(C)(C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001551285160 938179729 /nfs/dbraw/zinc/17/97/29/938179729.db2.gz YCDKCXSJYNHACC-KKUMJFAQSA-N 2 1 252.446 3.085 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3C[C@H]3C3CC3)CC[NH2+]2)cc1 ZINC001552080842 938189969 /nfs/dbraw/zinc/18/99/69/938189969.db2.gz OSCYUNLFJDQNLG-BDXSIMOUSA-N 2 1 270.420 3.115 20 0 CGADMP FC(F)(F)[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552312442 938191098 /nfs/dbraw/zinc/19/10/98/938191098.db2.gz OAQXHVZMNUFWMZ-TUVASFSCSA-N 2 1 298.352 3.268 20 0 CGADMP Cc1ccc(CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001560048123 938242934 /nfs/dbraw/zinc/24/29/34/938242934.db2.gz FSRZQILPSWMEOT-UHFFFAOYSA-N 2 1 286.463 3.488 20 0 CGADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)c1 ZINC001560108954 938244413 /nfs/dbraw/zinc/24/44/13/938244413.db2.gz PSFXFKBYYPTZRG-QGZVFWFLSA-N 2 1 295.430 3.409 20 0 CGADMP CC[N@H+](CC[NH2+]C1CCc2ccccc2CC1)C(C)C ZINC001560306670 938252199 /nfs/dbraw/zinc/25/21/99/938252199.db2.gz UFGVDIREJYODFY-UHFFFAOYSA-N 2 1 274.452 3.254 20 0 CGADMP CC[N@@H+](CC[NH2+]C1CCc2ccccc2CC1)C(C)C ZINC001560306670 938252200 /nfs/dbraw/zinc/25/22/00/938252200.db2.gz UFGVDIREJYODFY-UHFFFAOYSA-N 2 1 274.452 3.254 20 0 CGADMP CCS[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001560367290 938255549 /nfs/dbraw/zinc/25/55/49/938255549.db2.gz FWWCVQBCOGQYRZ-HUUCEWRRSA-N 2 1 293.480 3.302 20 0 CGADMP CCS[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001560367289 938255580 /nfs/dbraw/zinc/25/55/80/938255580.db2.gz FWWCVQBCOGQYRZ-GJZGRUSLSA-N 2 1 293.480 3.302 20 0 CGADMP CCCc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001560500205 938260640 /nfs/dbraw/zinc/26/06/40/938260640.db2.gz GNPPKHZRLVUVGL-SFHVURJKSA-N 2 1 274.452 3.461 20 0 CGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001560670320 938269335 /nfs/dbraw/zinc/26/93/35/938269335.db2.gz AUYTVQSHNLDJOE-GFCCVEGCSA-N 2 1 294.389 3.226 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)CCc1ccc(C)cc1 ZINC001560811509 938277207 /nfs/dbraw/zinc/27/72/07/938277207.db2.gz NJUNGTHIDGVFTC-UHFFFAOYSA-N 2 1 274.452 3.345 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c3CCC4)C[C@@H]2C1 ZINC001561045394 938291263 /nfs/dbraw/zinc/29/12/63/938291263.db2.gz INBBIPSSEBHCMV-YTQUADARSA-N 2 1 298.474 3.337 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001258773738 960428776 /nfs/dbraw/zinc/42/87/76/960428776.db2.gz AISJXCQLWCXCIP-GFCCVEGCSA-N 2 1 278.362 3.135 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001258773738 960428780 /nfs/dbraw/zinc/42/87/80/960428780.db2.gz AISJXCQLWCXCIP-GFCCVEGCSA-N 2 1 278.362 3.135 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001575108728 962346439 /nfs/dbraw/zinc/34/64/39/962346439.db2.gz SENJODBGCXOYRS-INIZCTEOSA-N 2 1 260.425 3.417 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@@H+](CC1CC1)C1CCCCC1 ZINC001575421617 962364335 /nfs/dbraw/zinc/36/43/35/962364335.db2.gz ACIYMXRUDMWYQS-OAHLLOKOSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC001575423468 962376624 /nfs/dbraw/zinc/37/66/24/962376624.db2.gz USYDZANBWWHASQ-CYBMUJFWSA-N 2 1 288.357 3.368 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001575655764 962409861 /nfs/dbraw/zinc/40/98/61/962409861.db2.gz PQUMLMZGHDFFCU-ZWKOTPCHSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@H](C[NH2+][C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1 ZINC001576032479 962427859 /nfs/dbraw/zinc/42/78/59/962427859.db2.gz DXLFRFDYMVNAPK-WQVCFCJDSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC001575966686 962431599 /nfs/dbraw/zinc/43/15/99/962431599.db2.gz RKACSTWMJLUJJP-ZYHUDNBSSA-N 2 1 286.872 3.310 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCc3ccccc3C1)CC[NH2+]CC2 ZINC001576638312 962478843 /nfs/dbraw/zinc/47/88/43/962478843.db2.gz OWIXPQZVWPKDPF-IAGOWNOFSA-N 2 1 298.474 3.256 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[NH2+]1 ZINC001576669876 962484231 /nfs/dbraw/zinc/48/42/31/962484231.db2.gz BITLNMUDZDEVQA-XABYNWHXSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC001576748743 962488441 /nfs/dbraw/zinc/48/84/41/962488441.db2.gz NEWGGNGAZJENCR-HVDRYGHVSA-N 2 1 276.399 3.048 20 0 CGADMP CCC(C)(C)CC[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576941355 962502678 /nfs/dbraw/zinc/50/26/78/962502678.db2.gz FXWDOJZJXNVYSK-GOEBONIOSA-N 2 1 252.446 3.264 20 0 CGADMP CCC1CCC([N@@H+](C)Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC001577246684 962515020 /nfs/dbraw/zinc/51/50/20/962515020.db2.gz MKFNUFKSGSEICF-UHFFFAOYSA-N 2 1 293.480 3.189 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(C)c1 ZINC001577583496 962551475 /nfs/dbraw/zinc/55/14/75/962551475.db2.gz TUQGCIUWGPCLNL-UHFFFAOYSA-N 2 1 278.440 3.201 20 0 CGADMP CCc1ccc(C2=CC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC001578253751 962574766 /nfs/dbraw/zinc/57/47/66/962574766.db2.gz LDIOMABAHAGAHG-QGZVFWFLSA-N 2 1 284.447 3.338 20 0 CGADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)CC(C)(C)C[NH3+] ZINC001578493406 962591939 /nfs/dbraw/zinc/59/19/39/962591939.db2.gz VFMYXOCNPNHRRT-UHFFFAOYSA-N 2 1 262.441 3.401 20 0 CGADMP CSCc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC001579383279 962617014 /nfs/dbraw/zinc/61/70/14/962617014.db2.gz XMLSSNQHQZWPPZ-CQSZACIVSA-N 2 1 266.454 3.013 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001579666343 962649326 /nfs/dbraw/zinc/64/93/26/962649326.db2.gz QYOLZXXXTYZTHF-HLLBOEOZSA-N 2 1 260.425 3.015 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H]([NH3+])CC(F)(F)F)c(C)c1 ZINC001579685507 962656413 /nfs/dbraw/zinc/65/64/13/962656413.db2.gz QMDAUYFUKIKKLA-AWEZNQCLSA-N 2 1 288.357 3.105 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC001579795440 962671064 /nfs/dbraw/zinc/67/10/64/962671064.db2.gz SQKHALUQGPDXQP-QGZVFWFLSA-N 2 1 258.409 3.274 20 0 CGADMP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001580033258 962685411 /nfs/dbraw/zinc/68/54/11/962685411.db2.gz FAQJGTIEGNQUJK-KSZLIROESA-N 2 1 288.410 3.147 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001580157045 962698054 /nfs/dbraw/zinc/69/80/54/962698054.db2.gz DDRGIPMVJWEWMZ-OQIJWPOYSA-N 2 1 284.447 3.384 20 0 CGADMP [NH3+]CCC[N@@H+](C[C@@H]1CC1(Cl)Cl)CC1CCCC1 ZINC001580297459 962712765 /nfs/dbraw/zinc/71/27/65/962712765.db2.gz STCNIRSQBBBOQY-LBPRGKRZSA-N 2 1 279.255 3.021 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337398824 214054185 /nfs/dbraw/zinc/05/41/85/214054185.db2.gz OQLQLIZHPDIFPL-OAHLLOKOSA-N 2 1 292.471 3.379 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337398824 214054188 /nfs/dbraw/zinc/05/41/88/214054188.db2.gz OQLQLIZHPDIFPL-OAHLLOKOSA-N 2 1 292.471 3.379 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000337421078 214072157 /nfs/dbraw/zinc/07/21/57/214072157.db2.gz FRWQJCMDNIZNIX-HZPDHXFCSA-N 2 1 262.441 3.173 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000337421078 214072159 /nfs/dbraw/zinc/07/21/59/214072159.db2.gz FRWQJCMDNIZNIX-HZPDHXFCSA-N 2 1 262.441 3.173 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nn1C ZINC000337521185 214136127 /nfs/dbraw/zinc/13/61/27/214136127.db2.gz PKXWESPAHUMJOM-GDBMZVCRSA-N 2 1 292.471 3.034 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCC12CCOCC2 ZINC000651377886 398236156 /nfs/dbraw/zinc/23/61/56/398236156.db2.gz CCZLGMCYNODWMS-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000124964406 187163205 /nfs/dbraw/zinc/16/32/05/187163205.db2.gz SBJZBQCBGLSJRV-UHFFFAOYSA-N 2 1 287.382 3.385 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000124964406 187163206 /nfs/dbraw/zinc/16/32/06/187163206.db2.gz SBJZBQCBGLSJRV-UHFFFAOYSA-N 2 1 287.382 3.385 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CCC3)CCN1C ZINC000651644386 398261647 /nfs/dbraw/zinc/26/16/47/398261647.db2.gz PSSOVKFLUSFBRI-WMLDXEAASA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2CCC3)CC[N@@H+]1C ZINC000651644386 398261648 /nfs/dbraw/zinc/26/16/48/398261648.db2.gz PSSOVKFLUSFBRI-WMLDXEAASA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2CCC3)CC[N@H+]1C ZINC000651644386 398261649 /nfs/dbraw/zinc/26/16/49/398261649.db2.gz PSSOVKFLUSFBRI-WMLDXEAASA-N 2 1 272.436 3.090 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651681212 398268335 /nfs/dbraw/zinc/26/83/35/398268335.db2.gz HADOITPYHXPHNS-SMDDNHRTSA-N 2 1 296.817 3.398 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651681212 398268338 /nfs/dbraw/zinc/26/83/38/398268338.db2.gz HADOITPYHXPHNS-SMDDNHRTSA-N 2 1 296.817 3.398 20 0 CGADMP c1c2cnccc2oc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000651731012 398278016 /nfs/dbraw/zinc/27/80/16/398278016.db2.gz CTHWFPPQWZLXDQ-UHFFFAOYSA-N 2 1 299.418 3.324 20 0 CGADMP COCCC1(C[NH2+]CCCn2cc[nH+]c2C)CCCCC1 ZINC000337949650 214327754 /nfs/dbraw/zinc/32/77/54/214327754.db2.gz MWCJZDQTCOWFTB-UHFFFAOYSA-N 2 1 293.455 3.158 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000651864856 398297917 /nfs/dbraw/zinc/29/79/17/398297917.db2.gz HCUSJKRIBVLVIX-HNNXBMFYSA-N 2 1 299.462 3.203 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(CC)CC ZINC000338013984 214359852 /nfs/dbraw/zinc/35/98/52/214359852.db2.gz CRBHTWNZGSSWEP-CVEARBPZSA-N 2 1 293.455 3.155 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C1CCCCC1 ZINC000651909913 398304790 /nfs/dbraw/zinc/30/47/90/398304790.db2.gz ACIFYWFRNHYSSY-HLLBOEOZSA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@@H](COC)[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000651910033 398304805 /nfs/dbraw/zinc/30/48/05/398304805.db2.gz FCGYUGJHEWOGSK-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CCCOCC1)C1CCCCC1 ZINC000651910237 398304827 /nfs/dbraw/zinc/30/48/27/398304827.db2.gz MHUGJKZZEMECLY-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccn1 ZINC000338006066 214354286 /nfs/dbraw/zinc/35/42/86/214354286.db2.gz DKPGUYFAXJNGEH-OAHLLOKOSA-N 2 1 272.396 3.108 20 0 CGADMP CC(C)CCOCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590818865 346878835 /nfs/dbraw/zinc/87/88/35/346878835.db2.gz DEEQQEWVIIXJHZ-UHFFFAOYSA-N 2 1 284.488 3.101 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423456599 529569213 /nfs/dbraw/zinc/56/92/13/529569213.db2.gz DRYYFXRVMMAAMD-DGCLKSJQSA-N 2 1 290.329 3.363 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC(F)F)cc1 ZINC000423317805 529611440 /nfs/dbraw/zinc/61/14/40/529611440.db2.gz KPVIVNOUPCPTBZ-KGLIPLIRSA-N 2 1 284.350 3.066 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Cl)c1 ZINC000423313564 529611502 /nfs/dbraw/zinc/61/15/02/529611502.db2.gz FWBVNNLQPCOFHQ-KGLIPLIRSA-N 2 1 252.789 3.118 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+]CCc1c[nH+]cn1C ZINC000623086180 349758055 /nfs/dbraw/zinc/75/80/55/349758055.db2.gz AGVCKSLUPBBFNF-CQSZACIVSA-N 2 1 251.418 3.159 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000289204932 282209772 /nfs/dbraw/zinc/20/97/72/282209772.db2.gz JYIYNRJIXSKFMH-BLLLJJGKSA-N 2 1 255.365 3.030 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000423315889 529619084 /nfs/dbraw/zinc/61/90/84/529619084.db2.gz JGEAOXAZZLCGMD-KBPBESRZSA-N 2 1 297.240 3.227 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192919966 529652549 /nfs/dbraw/zinc/65/25/49/529652549.db2.gz XWGBUPUVNZDWAC-KRWDZBQOSA-N 2 1 298.430 3.454 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192919966 529652553 /nfs/dbraw/zinc/65/25/53/529652553.db2.gz XWGBUPUVNZDWAC-KRWDZBQOSA-N 2 1 298.430 3.454 20 0 CGADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CC1(C)C ZINC000418100568 529637898 /nfs/dbraw/zinc/63/78/98/529637898.db2.gz DQRWKTNBABPKPJ-STQMWFEESA-N 2 1 281.469 3.119 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398903 349798505 /nfs/dbraw/zinc/79/85/05/349798505.db2.gz RSEIALTUMNVMLM-IRXDYDNUSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623414715 349802462 /nfs/dbraw/zinc/80/24/62/349802462.db2.gz NISGNSFOPRMUJC-UNEWFSDZSA-N 2 1 272.436 3.382 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427894 349805247 /nfs/dbraw/zinc/80/52/47/349805247.db2.gz QGVNCWKWZLEQFU-OAHLLOKOSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427894 349805249 /nfs/dbraw/zinc/80/52/49/349805249.db2.gz QGVNCWKWZLEQFU-OAHLLOKOSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cc3ccccc3o2)CC1(C)C ZINC000623427713 349805879 /nfs/dbraw/zinc/80/58/79/349805879.db2.gz KADHYKAZQGWUPG-OAHLLOKOSA-N 2 1 286.419 3.438 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C12CCCC2 ZINC000623436033 349808683 /nfs/dbraw/zinc/80/86/83/349808683.db2.gz ANAYAIYNQRCKIS-OWCLPIDISA-N 2 1 294.483 3.187 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)CC1(C)C ZINC000623453375 349812767 /nfs/dbraw/zinc/81/27/67/349812767.db2.gz LZALFEFKPBCCTP-PFSRBDOWSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)Cc3ccccc3C2)CC1(C)C ZINC000623480934 349817693 /nfs/dbraw/zinc/81/76/93/349817693.db2.gz MWRMVUIBSKOXJS-QGZVFWFLSA-N 2 1 286.463 3.254 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623486348 349818116 /nfs/dbraw/zinc/81/81/16/349818116.db2.gz XMDNDBDVBSKONM-BZUAXINKSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623484955 349818320 /nfs/dbraw/zinc/81/83/20/349818320.db2.gz ILHXDVGECRXNDC-UHFFFAOYSA-N 2 1 290.354 3.118 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623486913 349818405 /nfs/dbraw/zinc/81/84/05/349818405.db2.gz NCPJGNRXZOLHKO-ZACQAIPSSA-N 2 1 296.499 3.433 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000623491168 349819077 /nfs/dbraw/zinc/81/90/77/349819077.db2.gz IARDHLHWHLYKEQ-APIJFGDWSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623532155 349827365 /nfs/dbraw/zinc/82/73/65/349827365.db2.gz FMNVYKBYRBPYRL-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538102 349829413 /nfs/dbraw/zinc/82/94/13/349829413.db2.gz WSVWIZWOBYONKL-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP Cc1sccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000351482567 219101541 /nfs/dbraw/zinc/10/15/41/219101541.db2.gz JRXZJEJOIALFMP-UHFFFAOYSA-N 2 1 289.448 3.245 20 0 CGADMP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623563021 349835707 /nfs/dbraw/zinc/83/57/07/349835707.db2.gz LENACUCEEIKSKY-AWEZNQCLSA-N 2 1 284.488 3.026 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000623656632 349858384 /nfs/dbraw/zinc/85/83/84/349858384.db2.gz YTAPSTCMKYMFEK-AWEZNQCLSA-N 2 1 298.377 3.110 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000623657474 349859697 /nfs/dbraw/zinc/85/96/97/349859697.db2.gz RLPAXQNLVCTABW-OAHLLOKOSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@H+]1CC[C@@H](N[C@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638534 349852524 /nfs/dbraw/zinc/85/25/24/349852524.db2.gz IRNVOCOVCRCLJT-WBVHZDCISA-N 2 1 287.451 3.385 20 0 CGADMP CN1CC[C@@H]([NH2+][C@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638534 349852525 /nfs/dbraw/zinc/85/25/25/349852525.db2.gz IRNVOCOVCRCLJT-WBVHZDCISA-N 2 1 287.451 3.385 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638534 349852528 /nfs/dbraw/zinc/85/25/28/349852528.db2.gz IRNVOCOVCRCLJT-WBVHZDCISA-N 2 1 287.451 3.385 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638534 349852529 /nfs/dbraw/zinc/85/25/29/349852529.db2.gz IRNVOCOVCRCLJT-WBVHZDCISA-N 2 1 287.451 3.385 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656146 349856427 /nfs/dbraw/zinc/85/64/27/349856427.db2.gz OBSBWSFHBZYIFR-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000128127593 187352904 /nfs/dbraw/zinc/35/29/04/187352904.db2.gz KEBZUKFYTKHUEG-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP C[N@H+](CCc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000173636563 529934463 /nfs/dbraw/zinc/93/44/63/529934463.db2.gz AYONJJGCMFEOTB-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000173636563 529934464 /nfs/dbraw/zinc/93/44/64/529934464.db2.gz AYONJJGCMFEOTB-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000173636563 529934465 /nfs/dbraw/zinc/93/44/65/529934465.db2.gz AYONJJGCMFEOTB-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000420400469 529971698 /nfs/dbraw/zinc/97/16/98/529971698.db2.gz INRZWRAMPGDFCK-GOSISDBHSA-N 2 1 286.394 3.309 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000423283098 529986119 /nfs/dbraw/zinc/98/61/19/529986119.db2.gz XCIULRJGUOMIIP-VXGBXAGGSA-N 2 1 286.366 3.103 20 0 CGADMP C[N@H+](Cc1cccc2ccoc21)C[C@H]1CCC[NH+](C)C1 ZINC000449017991 529996745 /nfs/dbraw/zinc/99/67/45/529996745.db2.gz ZVXIZRIRSLSWCF-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1cccc2ccoc21)C[C@H]1CCC[N@H+](C)C1 ZINC000449017991 529996746 /nfs/dbraw/zinc/99/67/46/529996746.db2.gz ZVXIZRIRSLSWCF-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1cccc2ccoc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000449017991 529996747 /nfs/dbraw/zinc/99/67/47/529996747.db2.gz ZVXIZRIRSLSWCF-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CCCO[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000351602328 219142372 /nfs/dbraw/zinc/14/23/72/219142372.db2.gz YNJILHPRKQVFPD-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP CCCO[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351602328 219142375 /nfs/dbraw/zinc/14/23/75/219142375.db2.gz YNJILHPRKQVFPD-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP CCCO[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351602328 219142376 /nfs/dbraw/zinc/14/23/76/219142376.db2.gz YNJILHPRKQVFPD-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000369204554 530051085 /nfs/dbraw/zinc/05/10/85/530051085.db2.gz OWPHNLIRVWCELP-UHFFFAOYSA-N 2 1 264.438 3.056 20 0 CGADMP CC(C)(C)OC1CC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000493276104 534965952 /nfs/dbraw/zinc/96/59/52/534965952.db2.gz GARSUKBXJPYEHJ-KLAILNCOSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)(C)OC1CC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000493276104 534965961 /nfs/dbraw/zinc/96/59/61/534965961.db2.gz GARSUKBXJPYEHJ-KLAILNCOSA-N 2 1 294.483 3.187 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000052920430 345111063 /nfs/dbraw/zinc/11/10/63/345111063.db2.gz RDMURVUBGVSAQX-SJPCQFCGSA-N 2 1 288.435 3.190 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541433 345769996 /nfs/dbraw/zinc/76/99/96/345769996.db2.gz VHEKKHXAHHTBTE-CJNGLKHVSA-N 2 1 280.843 3.202 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1C ZINC000090218863 345785266 /nfs/dbraw/zinc/78/52/66/345785266.db2.gz BUVHOWGZKRRKHI-BBWFWOEESA-N 2 1 290.451 3.082 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392637 345786444 /nfs/dbraw/zinc/78/64/44/345786444.db2.gz CIGARLRNVQRQGW-WMZOPIPTSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000090853909 345796234 /nfs/dbraw/zinc/79/62/34/345796234.db2.gz OOGVHHOKKURERD-SPYBWZPUSA-N 2 1 286.463 3.110 20 0 CGADMP C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC1CCCCCC1 ZINC000119059382 345991601 /nfs/dbraw/zinc/99/16/01/345991601.db2.gz SGSUWXLVIHELMC-QGZVFWFLSA-N 2 1 294.483 3.144 20 0 CGADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC1CCCCCC1 ZINC000119059382 345991604 /nfs/dbraw/zinc/99/16/04/345991604.db2.gz SGSUWXLVIHELMC-QGZVFWFLSA-N 2 1 294.483 3.144 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H](C)[C@H]1OC ZINC000344028828 282442518 /nfs/dbraw/zinc/44/25/18/282442518.db2.gz BALZGVLSQKSCFO-IAOVAPTHSA-N 2 1 294.483 3.043 20 0 CGADMP Cc1csc([C@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)n1 ZINC000273279023 192097901 /nfs/dbraw/zinc/09/79/01/192097901.db2.gz KWMMBMMQBVPSOU-CQSZACIVSA-N 2 1 290.436 3.087 20 0 CGADMP C[N@@H+](CCCOc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000351691109 219175913 /nfs/dbraw/zinc/17/59/13/219175913.db2.gz IAJZRPOMYKQUTR-KRWDZBQOSA-N 2 1 290.451 3.262 20 0 CGADMP C[NH+](CCCOc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000351691109 219175914 /nfs/dbraw/zinc/17/59/14/219175914.db2.gz IAJZRPOMYKQUTR-KRWDZBQOSA-N 2 1 290.451 3.262 20 0 CGADMP C[NH+](CCCOc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000351691109 219175916 /nfs/dbraw/zinc/17/59/16/219175916.db2.gz IAJZRPOMYKQUTR-KRWDZBQOSA-N 2 1 290.451 3.262 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308614499 346467831 /nfs/dbraw/zinc/46/78/31/346467831.db2.gz OZJIVYQRVJKVLZ-HOCLYGCPSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1[nH+]ccc(NC[C@H]2CC[N@H+](C(C)C)C2)c1Cl ZINC000310943724 346472190 /nfs/dbraw/zinc/47/21/90/346472190.db2.gz XIIHRAFLUUGXIE-GFCCVEGCSA-N 2 1 267.804 3.186 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000314018597 346480807 /nfs/dbraw/zinc/48/08/07/346480807.db2.gz RXHYQIICZPCGOU-LBPRGKRZSA-N 2 1 277.799 3.357 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000401854725 346592704 /nfs/dbraw/zinc/59/27/04/346592704.db2.gz VABBOCPBGUCKRP-UHFFFAOYSA-N 2 1 277.456 3.405 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(F)CC1 ZINC000584865465 346719229 /nfs/dbraw/zinc/71/92/29/346719229.db2.gz DDEYBBNHTICNRE-UHFFFAOYSA-N 2 1 264.388 3.072 20 0 CGADMP C[C@H](CSCCF)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000595014723 347257471 /nfs/dbraw/zinc/25/74/71/347257471.db2.gz SKAVPILOGBOZDH-HUUCEWRRSA-N 2 1 290.492 3.179 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120358 349976983 /nfs/dbraw/zinc/97/69/83/349976983.db2.gz XGHNHPZNQOJRHJ-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120358 349976985 /nfs/dbraw/zinc/97/69/85/349976985.db2.gz XGHNHPZNQOJRHJ-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119915 349977495 /nfs/dbraw/zinc/97/74/95/349977495.db2.gz MEVJADJTFQFDHT-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120318 349977609 /nfs/dbraw/zinc/97/76/09/349977609.db2.gz WCOUUYKSMYPOAN-WMZOPIPTSA-N 2 1 274.452 3.329 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000624120660 349978852 /nfs/dbraw/zinc/97/88/52/349978852.db2.gz DOVZTHIXBMTIQD-PVAVHDDUSA-N 2 1 264.457 3.277 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121947 349979805 /nfs/dbraw/zinc/97/98/05/349979805.db2.gz GLGJZKPZCSEGCJ-LSDHHAIUSA-N 2 1 275.440 3.027 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121947 349979807 /nfs/dbraw/zinc/97/98/07/349979807.db2.gz GLGJZKPZCSEGCJ-LSDHHAIUSA-N 2 1 275.440 3.027 20 0 CGADMP CCSCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602728016 348019460 /nfs/dbraw/zinc/01/94/60/348019460.db2.gz HDZHAKQDDOKZMS-WBVHZDCISA-N 2 1 292.492 3.097 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000624122515 349981041 /nfs/dbraw/zinc/98/10/41/349981041.db2.gz TZILDMKHMIAJKC-BLLLJJGKSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000624122515 349981045 /nfs/dbraw/zinc/98/10/45/349981045.db2.gz TZILDMKHMIAJKC-BLLLJJGKSA-N 2 1 294.389 3.274 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624124062 349982882 /nfs/dbraw/zinc/98/28/82/349982882.db2.gz WFJUIGJFOFJMOW-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000339438892 215172570 /nfs/dbraw/zinc/17/25/70/215172570.db2.gz QTEOXXZULZALTQ-RBUKOAKNSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000339438892 215172573 /nfs/dbraw/zinc/17/25/73/215172573.db2.gz QTEOXXZULZALTQ-RBUKOAKNSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000339438892 215172575 /nfs/dbraw/zinc/17/25/75/215172575.db2.gz QTEOXXZULZALTQ-RBUKOAKNSA-N 2 1 284.447 3.482 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000358005537 233035796 /nfs/dbraw/zinc/03/57/96/233035796.db2.gz NRDBQPQMARGFCI-WWGRRREGSA-N 2 1 269.392 3.487 20 0 CGADMP c1ccc(Oc2ccccc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000613552813 348617263 /nfs/dbraw/zinc/61/72/63/348617263.db2.gz PEPIKOBXJKFMFQ-IAGOWNOFSA-N 2 1 294.398 3.130 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000358141839 233064096 /nfs/dbraw/zinc/06/40/96/233064096.db2.gz ZXEVZMXXFRUDKS-LSDHHAIUSA-N 2 1 296.817 3.238 20 0 CGADMP FC(F)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358101411 233057589 /nfs/dbraw/zinc/05/75/89/233057589.db2.gz UPJYTBMWEXYXFA-KBPBESRZSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358101411 233057592 /nfs/dbraw/zinc/05/75/92/233057592.db2.gz UPJYTBMWEXYXFA-KBPBESRZSA-N 2 1 296.361 3.004 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@H](C)C1 ZINC000624272647 350016205 /nfs/dbraw/zinc/01/62/05/350016205.db2.gz NOVGXTWHNUZOFO-OLZOCXBDSA-N 2 1 292.389 3.429 20 0 CGADMP CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000624309481 350023217 /nfs/dbraw/zinc/02/32/17/350023217.db2.gz NWVVKRWUOJNCGO-SIIHOXLZSA-N 2 1 299.418 3.256 20 0 CGADMP c1ccc(C[N@H+](CCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000359212762 233279605 /nfs/dbraw/zinc/27/96/05/233279605.db2.gz FTPVTWAYOZJMMD-UHFFFAOYSA-N 2 1 258.409 3.041 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)nc1 ZINC000271279752 191047584 /nfs/dbraw/zinc/04/75/84/191047584.db2.gz CFUDPVOKRBACGZ-LBPRGKRZSA-N 2 1 293.842 3.403 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3C[C@@H]3C)C2)s1 ZINC000625402622 350167788 /nfs/dbraw/zinc/16/77/88/350167788.db2.gz QYKNBTLWHCZRDS-IMJJTQAJSA-N 2 1 292.492 3.466 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3C[C@@H]3C)C2)s1 ZINC000625402622 350167793 /nfs/dbraw/zinc/16/77/93/350167793.db2.gz QYKNBTLWHCZRDS-IMJJTQAJSA-N 2 1 292.492 3.466 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3C[C@@H]3C)C2)s1 ZINC000625402622 350167798 /nfs/dbraw/zinc/16/77/98/350167798.db2.gz QYKNBTLWHCZRDS-IMJJTQAJSA-N 2 1 292.492 3.466 20 0 CGADMP CCO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000625318631 350158226 /nfs/dbraw/zinc/15/82/26/350158226.db2.gz FTCKQPFTYQCALJ-YXJHDRRASA-N 2 1 294.483 3.044 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc2c1NCC2 ZINC000359460828 233320949 /nfs/dbraw/zinc/32/09/49/233320949.db2.gz XMHFNECZIKGEMO-UHFFFAOYSA-N 2 1 295.430 3.006 20 0 CGADMP CC(C)[NH+](CCCC[N@H+](C)C(C)C)C[C@@H]1C[C@@H]1C ZINC000625931179 350232024 /nfs/dbraw/zinc/23/20/24/350232024.db2.gz OQNHCTPHEKHAEF-HOTGVXAUSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[NH+](C)CCCC[N@H+](C[C@@H]1C[C@@H]1C)C(C)C ZINC000625931179 350232028 /nfs/dbraw/zinc/23/20/28/350232028.db2.gz OQNHCTPHEKHAEF-HOTGVXAUSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[NH+](C)CCCC[N@@H+](C[C@@H]1C[C@@H]1C)C(C)C ZINC000625931179 350232032 /nfs/dbraw/zinc/23/20/32/350232032.db2.gz OQNHCTPHEKHAEF-HOTGVXAUSA-N 2 1 254.462 3.473 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000628234544 350456069 /nfs/dbraw/zinc/45/60/69/350456069.db2.gz DMCNOXATJGWEGB-KBAYOESNSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000628234544 350456071 /nfs/dbraw/zinc/45/60/71/350456071.db2.gz DMCNOXATJGWEGB-KBAYOESNSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000628234544 350456074 /nfs/dbraw/zinc/45/60/74/350456074.db2.gz DMCNOXATJGWEGB-KBAYOESNSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000628234544 350456075 /nfs/dbraw/zinc/45/60/75/350456075.db2.gz DMCNOXATJGWEGB-KBAYOESNSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425885 350536563 /nfs/dbraw/zinc/53/65/63/350536563.db2.gz YKKXTEUQBRZMCC-KGLIPLIRSA-N 2 1 296.405 3.390 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000629527500 350703102 /nfs/dbraw/zinc/70/31/02/350703102.db2.gz XFJJVRWDBVGNJX-LUKYLMHMSA-N 2 1 258.409 3.053 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000629531714 350703747 /nfs/dbraw/zinc/70/37/47/350703747.db2.gz VMTFYFRWLKKBST-MRXNPFEDSA-N 2 1 289.467 3.471 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629568813 350713502 /nfs/dbraw/zinc/71/35/02/350713502.db2.gz UXCNVDITAZPYFT-MRVWCRGKSA-N 2 1 286.341 3.207 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565455 350713631 /nfs/dbraw/zinc/71/36/31/350713631.db2.gz VTJFSVCHZZQKJU-MQYQWHSLSA-N 2 1 292.389 3.272 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564259 350714126 /nfs/dbraw/zinc/71/41/26/350714126.db2.gz SFQCNKOWBFKBIJ-AVGNSLFASA-N 2 1 280.378 3.128 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629561340 350714251 /nfs/dbraw/zinc/71/42/51/350714251.db2.gz IMYCPXNHTBIVGX-KGLIPLIRSA-N 2 1 292.389 3.416 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408422 350689310 /nfs/dbraw/zinc/68/93/10/350689310.db2.gz VCIVOPHAYLBIBT-JBLDHEPKSA-N 2 1 272.845 3.063 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C[NH2+]1 ZINC000629415705 350690905 /nfs/dbraw/zinc/69/09/05/350690905.db2.gz RJETUOGALXTNOM-BSWAZPDLSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000629510892 350699022 /nfs/dbraw/zinc/69/90/22/350699022.db2.gz WVPFSBYUDWRGHA-HIFRSBDPSA-N 2 1 275.440 3.073 20 0 CGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000630060177 350804170 /nfs/dbraw/zinc/80/41/70/350804170.db2.gz IXOSFYRJGVXGMZ-LSDHHAIUSA-N 2 1 250.430 3.195 20 0 CGADMP C[N@H+]1CC=C(C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631108201 350956386 /nfs/dbraw/zinc/95/63/86/350956386.db2.gz MIQOZVZUTPZAQG-UHFFFAOYSA-N 2 1 290.794 3.438 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631108201 350956391 /nfs/dbraw/zinc/95/63/91/350956391.db2.gz MIQOZVZUTPZAQG-UHFFFAOYSA-N 2 1 290.794 3.438 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)C1 ZINC000631569664 351069637 /nfs/dbraw/zinc/06/96/37/351069637.db2.gz MCBQFEPRKWSRIS-CVEARBPZSA-N 2 1 299.462 3.420 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)n1 ZINC000631827284 351148496 /nfs/dbraw/zinc/14/84/96/351148496.db2.gz KGKUYBPNIASVAH-QGZVFWFLSA-N 2 1 275.440 3.004 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000631826467 351149063 /nfs/dbraw/zinc/14/90/63/351149063.db2.gz ODGIPKLCKJMDSO-KKUMJFAQSA-N 2 1 286.410 3.133 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2c1 ZINC000634687941 351573625 /nfs/dbraw/zinc/57/36/25/351573625.db2.gz DEPLHYPUFIFZMP-KXBFYZLASA-N 2 1 295.430 3.199 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)[C@H]3CCCC[C@@H]23)cc1 ZINC000634995121 351619116 /nfs/dbraw/zinc/61/91/16/351619116.db2.gz VQOWAJMXKVFJLV-IJGLDNNQSA-N 2 1 296.458 3.397 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccco1 ZINC000122364063 187028433 /nfs/dbraw/zinc/02/84/33/187028433.db2.gz PMUKLQCBDJKXLC-CQSZACIVSA-N 2 1 288.391 3.071 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000271492474 191170757 /nfs/dbraw/zinc/17/07/57/191170757.db2.gz PCRKTASPYFIKEP-RAGICBKZSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]1CC2(CCC2)C[N@H+]1Cc1cccc2nccn21 ZINC000365442808 234102935 /nfs/dbraw/zinc/10/29/35/234102935.db2.gz LTJKALZSSSYEHW-ZDUSSCGKSA-N 2 1 255.365 3.099 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cn2)C1 ZINC000271565817 191217493 /nfs/dbraw/zinc/21/74/93/191217493.db2.gz XTTHCMLQYXJONG-HUUCEWRRSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cn2)C1 ZINC000271565817 191217496 /nfs/dbraw/zinc/21/74/96/191217496.db2.gz XTTHCMLQYXJONG-HUUCEWRRSA-N 2 1 293.430 3.239 20 0 CGADMP CSC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135384089 187825359 /nfs/dbraw/zinc/82/53/59/187825359.db2.gz YCFPTABRQYTQBO-UHFFFAOYSA-N 2 1 292.492 3.382 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000271624815 191245686 /nfs/dbraw/zinc/24/56/86/191245686.db2.gz BXTGIDBTUXWUFB-KRWDZBQOSA-N 2 1 269.392 3.241 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cc(C)ccc1OC ZINC000271629226 191249381 /nfs/dbraw/zinc/24/93/81/191249381.db2.gz ZXGNJDJWUPTTEE-MRXNPFEDSA-N 2 1 287.407 3.249 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000152726883 188038644 /nfs/dbraw/zinc/03/86/44/188038644.db2.gz AZVUTCREBGIYRB-UXDRXVOSSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@H](CCSc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000153492212 188085238 /nfs/dbraw/zinc/08/52/38/188085238.db2.gz ZXPSNPIZDDXPAW-HZPDHXFCSA-N 2 1 292.492 3.441 20 0 CGADMP CC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000153719543 188098379 /nfs/dbraw/zinc/09/83/79/188098379.db2.gz LMCVCDNOWLGTIF-NSHDSACASA-N 2 1 261.344 3.208 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158584170 188383330 /nfs/dbraw/zinc/38/33/30/188383330.db2.gz BSJSCFAZPFPLPX-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158584170 188383332 /nfs/dbraw/zinc/38/33/32/188383332.db2.gz BSJSCFAZPFPLPX-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158584170 188383333 /nfs/dbraw/zinc/38/33/33/188383333.db2.gz BSJSCFAZPFPLPX-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H](C)c1ccccc1 ZINC000271891776 191392876 /nfs/dbraw/zinc/39/28/76/191392876.db2.gz SCYWINWGEGUFMZ-LSDHHAIUSA-N 2 1 258.409 3.030 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H](C)c1ccccc1 ZINC000271891765 191393649 /nfs/dbraw/zinc/39/36/49/191393649.db2.gz SCYWINWGEGUFMZ-CABCVRRESA-N 2 1 258.409 3.030 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1Cl ZINC000271892633 191393794 /nfs/dbraw/zinc/39/37/94/191393794.db2.gz SKXKUKQZFDZTOS-LLVKDONJSA-N 2 1 282.790 3.392 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@@H]3C[C@@H]3C)CCCC2)CC1 ZINC000414129516 235342633 /nfs/dbraw/zinc/34/26/33/235342633.db2.gz VBNDYEMHGBUVTG-ZMSDIMECSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000414183172 235357286 /nfs/dbraw/zinc/35/72/86/235357286.db2.gz NPTFPFIBSOTCEO-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414821378 235473840 /nfs/dbraw/zinc/47/38/40/235473840.db2.gz CBMWGARTKLZFBE-MNOVXSKESA-N 2 1 272.845 3.064 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000353478680 283187235 /nfs/dbraw/zinc/18/72/35/283187235.db2.gz FUNGSFCNHMDXBT-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000353478680 283187239 /nfs/dbraw/zinc/18/72/39/283187239.db2.gz FUNGSFCNHMDXBT-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000273806987 192315459 /nfs/dbraw/zinc/31/54/59/192315459.db2.gz WFDCNIUPEGQYDC-RDJZCZTQSA-N 2 1 292.492 3.240 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420379974 235746058 /nfs/dbraw/zinc/74/60/58/235746058.db2.gz BXIDVHFCRFSVDN-AEFFLSMTSA-N 2 1 290.426 3.222 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868737 138355756 /nfs/dbraw/zinc/35/57/56/138355756.db2.gz ZMHZIJXQROOESX-ZIAGYGMSSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868737 138355757 /nfs/dbraw/zinc/35/57/57/138355757.db2.gz ZMHZIJXQROOESX-ZIAGYGMSSA-N 2 1 296.361 3.004 20 0 CGADMP Cc1ccc(CC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000124629867 138376963 /nfs/dbraw/zinc/37/69/63/138376963.db2.gz RVPIPRLRYWAVFE-UHFFFAOYSA-N 2 1 297.446 3.226 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000124299616 138373944 /nfs/dbraw/zinc/37/39/44/138373944.db2.gz HHPZCSDUYUNYJN-UHFFFAOYSA-N 2 1 266.816 3.224 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(Cl)c1Cl ZINC000423227646 236002631 /nfs/dbraw/zinc/00/26/31/236002631.db2.gz WMNXOPOAXZMYFP-DTWKUNHWSA-N 2 1 261.196 3.381 20 0 CGADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423314388 236034761 /nfs/dbraw/zinc/03/47/61/236034761.db2.gz GXSGIUFOCMETBU-ZWKOTPCHSA-N 2 1 290.451 3.499 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423314688 236035449 /nfs/dbraw/zinc/03/54/49/236035449.db2.gz HNJCWINMMQCMGE-LSDHHAIUSA-N 2 1 264.800 3.044 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000423321210 236038260 /nfs/dbraw/zinc/03/82/60/236038260.db2.gz NBFNRNNAQCRZFU-GJZGRUSLSA-N 2 1 264.800 3.118 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423336956 236043350 /nfs/dbraw/zinc/04/33/50/236043350.db2.gz UWOSEYZZUSOWJV-ZLDLUXBVSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423389786 236059531 /nfs/dbraw/zinc/05/95/31/236059531.db2.gz JSBKYUDQWUPZJO-SUMWQHHRSA-N 2 1 272.367 3.046 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423364429 236051799 /nfs/dbraw/zinc/05/17/99/236051799.db2.gz AQHJLXXKVSBCOO-XKQJLSEDSA-N 3 1 298.434 3.101 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000219646264 138493785 /nfs/dbraw/zinc/49/37/85/138493785.db2.gz OAVNUBVVGHILGJ-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP CCC[N@@H+](Cc1cccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000219646264 138493786 /nfs/dbraw/zinc/49/37/86/138493786.db2.gz OAVNUBVVGHILGJ-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423446135 236073254 /nfs/dbraw/zinc/07/32/54/236073254.db2.gz NZZLZTJDVYGDLP-BHDSKKPTSA-N 2 1 286.341 3.482 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423505016 236088389 /nfs/dbraw/zinc/08/83/89/236088389.db2.gz GYMVOXPKAIIDGS-UCLAIMLFSA-N 2 1 298.405 3.102 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424355648 236156506 /nfs/dbraw/zinc/15/65/06/236156506.db2.gz RCRDTUDCXNONDF-YYTXDEJISA-N 2 1 284.447 3.285 20 0 CGADMP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cs1 ZINC000294527379 199073510 /nfs/dbraw/zinc/07/35/10/199073510.db2.gz GNBPWUJEJZZJII-UHFFFAOYSA-N 2 1 266.454 3.361 20 0 CGADMP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cs1 ZINC000294527379 199073511 /nfs/dbraw/zinc/07/35/11/199073511.db2.gz GNBPWUJEJZZJII-UHFFFAOYSA-N 2 1 266.454 3.361 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000428359786 236398479 /nfs/dbraw/zinc/39/84/79/236398479.db2.gz BQGGBIKCTBWZGI-UHFFFAOYSA-N 2 1 290.411 3.133 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000428359786 236398481 /nfs/dbraw/zinc/39/84/81/236398481.db2.gz BQGGBIKCTBWZGI-UHFFFAOYSA-N 2 1 290.411 3.133 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC000294793662 199185875 /nfs/dbraw/zinc/18/58/75/199185875.db2.gz KVSCIXALWSTFFN-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC000294793662 199185876 /nfs/dbraw/zinc/18/58/76/199185876.db2.gz KVSCIXALWSTFFN-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC000294793662 199185878 /nfs/dbraw/zinc/18/58/78/199185878.db2.gz KVSCIXALWSTFFN-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC000294793662 199185880 /nfs/dbraw/zinc/18/58/80/199185880.db2.gz KVSCIXALWSTFFN-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP Cc1cnccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000294821574 199198423 /nfs/dbraw/zinc/19/84/23/199198423.db2.gz RHYCMMGHCGGDML-UHFFFAOYSA-N 2 1 295.430 3.144 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000119297311 370664703 /nfs/dbraw/zinc/66/47/03/370664703.db2.gz IXEFLSSDZHBCGB-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCc1cncn1C ZINC000297638072 200248888 /nfs/dbraw/zinc/24/88/88/200248888.db2.gz IEJOHRUXVBUWFH-KRWDZBQOSA-N 2 1 271.408 3.436 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000177796042 189070352 /nfs/dbraw/zinc/07/03/52/189070352.db2.gz JOKAKBASPZHZOF-RDTXWAMCSA-N 2 1 288.410 3.231 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000177796042 189070353 /nfs/dbraw/zinc/07/03/53/189070353.db2.gz JOKAKBASPZHZOF-RDTXWAMCSA-N 2 1 288.410 3.231 20 0 CGADMP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000177887764 189076595 /nfs/dbraw/zinc/07/65/95/189076595.db2.gz WSTREONORZGMRT-GVDBMIGSSA-N 2 1 290.451 3.001 20 0 CGADMP CCN(CC[C@@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000178441969 189116911 /nfs/dbraw/zinc/11/69/11/189116911.db2.gz CCDMCWCWMDTVEV-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000178441969 189116914 /nfs/dbraw/zinc/11/69/14/189116914.db2.gz CCDMCWCWMDTVEV-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000178441969 189116915 /nfs/dbraw/zinc/11/69/15/189116915.db2.gz CCDMCWCWMDTVEV-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178638000 189133407 /nfs/dbraw/zinc/13/34/07/189133407.db2.gz KXKWLHDPUULFTN-DXCKQFNASA-N 2 1 294.389 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178638000 189133408 /nfs/dbraw/zinc/13/34/08/189133408.db2.gz KXKWLHDPUULFTN-DXCKQFNASA-N 2 1 294.389 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178638000 189133409 /nfs/dbraw/zinc/13/34/09/189133409.db2.gz KXKWLHDPUULFTN-DXCKQFNASA-N 2 1 294.389 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178638000 189133410 /nfs/dbraw/zinc/13/34/10/189133410.db2.gz KXKWLHDPUULFTN-DXCKQFNASA-N 2 1 294.389 3.442 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CC2 ZINC000178698780 189138305 /nfs/dbraw/zinc/13/83/05/189138305.db2.gz INXMQXVGFMWDHK-FZKQIMNGSA-N 2 1 299.418 3.113 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCCOC)c1 ZINC000178737415 189141770 /nfs/dbraw/zinc/14/17/70/189141770.db2.gz RLMBAJJPNGZXCH-HNNXBMFYSA-N 2 1 278.440 3.043 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974220 189159100 /nfs/dbraw/zinc/15/91/00/189159100.db2.gz HUMBZCLCLSUWFA-DYVFJYSZSA-N 2 1 276.399 3.208 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179631559 189208185 /nfs/dbraw/zinc/20/81/85/189208185.db2.gz FRJJNGKKDSBLNO-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC000180169788 189241273 /nfs/dbraw/zinc/24/12/73/189241273.db2.gz QMXZTFBQWGONOM-GFCCVEGCSA-N 2 1 275.371 3.065 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccccc2)CC[N@H+]1C ZINC000180955364 189284994 /nfs/dbraw/zinc/28/49/94/189284994.db2.gz INLAPHRNSKVUCJ-DOTOQJQBSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181126688 189289291 /nfs/dbraw/zinc/28/92/91/189289291.db2.gz HLBGTFWYCOPNAE-WBVHZDCISA-N 2 1 260.425 3.239 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850576 189337321 /nfs/dbraw/zinc/33/73/21/189337321.db2.gz LHHROMZZNUGNMK-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850576 189337322 /nfs/dbraw/zinc/33/73/22/189337322.db2.gz LHHROMZZNUGNMK-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850576 189337323 /nfs/dbraw/zinc/33/73/23/189337323.db2.gz LHHROMZZNUGNMK-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000184380306 189384463 /nfs/dbraw/zinc/38/44/63/189384463.db2.gz URWNWJNTAFTJBJ-OAHLLOKOSA-N 2 1 287.451 3.448 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000184396718 189385306 /nfs/dbraw/zinc/38/53/06/189385306.db2.gz MSQVBQNWNNOISH-AWEZNQCLSA-N 2 1 275.440 3.304 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000184418449 189385926 /nfs/dbraw/zinc/38/59/26/189385926.db2.gz HRUGODSYWXMHCY-DLBZAZTESA-N 2 1 289.467 3.409 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3cccnc3o2)C[C@@H]1n1ccnc1 ZINC000449049800 239142873 /nfs/dbraw/zinc/14/28/73/239142873.db2.gz SDNFDPSPLSBQDP-BBRMVZONSA-N 2 1 296.374 3.107 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1 ZINC000119657775 370696314 /nfs/dbraw/zinc/69/63/14/370696314.db2.gz ATIZDRUUABCADJ-HUUCEWRRSA-N 2 1 272.436 3.395 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)Cc3ccoc3)CC2)[nH+]1 ZINC000449137802 239200807 /nfs/dbraw/zinc/20/08/07/239200807.db2.gz AIEWWJZFEKORMK-HNNXBMFYSA-N 2 1 299.418 3.173 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275357820 193009450 /nfs/dbraw/zinc/00/94/50/193009450.db2.gz APKUDYKZFOQLOV-SJLPKXTDSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275403411 193023217 /nfs/dbraw/zinc/02/32/17/193023217.db2.gz ADLHNWOTMCQWJV-ROUUACIJSA-N 2 1 283.419 3.193 20 0 CGADMP CC[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000120762106 370797189 /nfs/dbraw/zinc/79/71/89/370797189.db2.gz JSDDFLSPFZVNDA-QGZVFWFLSA-N 2 1 292.471 3.115 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000120762106 370797194 /nfs/dbraw/zinc/79/71/94/370797194.db2.gz JSDDFLSPFZVNDA-QGZVFWFLSA-N 2 1 292.471 3.115 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000120762106 370797199 /nfs/dbraw/zinc/79/71/99/370797199.db2.gz JSDDFLSPFZVNDA-QGZVFWFLSA-N 2 1 292.471 3.115 20 0 CGADMP c1sc2ccccc2c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335562817 212271847 /nfs/dbraw/zinc/27/18/47/212271847.db2.gz WSMKTEGKOCETLB-UHFFFAOYSA-N 2 1 272.417 3.229 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000121422036 370859688 /nfs/dbraw/zinc/85/96/88/370859688.db2.gz FERRHEDNUGXGEM-BEFAXECRSA-N 2 1 297.446 3.439 20 0 CGADMP Cc1cc(F)c(C[NH2+]CC2=CC[N@H+](C)CC2)c(Cl)c1 ZINC000459457577 242114574 /nfs/dbraw/zinc/11/45/74/242114574.db2.gz FZRGGEOPPCBANR-UHFFFAOYSA-N 2 1 282.790 3.139 20 0 CGADMP Cc1cc(F)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c(Cl)c1 ZINC000459457577 242114579 /nfs/dbraw/zinc/11/45/79/242114579.db2.gz FZRGGEOPPCBANR-UHFFFAOYSA-N 2 1 282.790 3.139 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000335543083 212241885 /nfs/dbraw/zinc/24/18/85/212241885.db2.gz HYZWCVNQBHQRPZ-ZDUSSCGKSA-N 2 1 293.480 3.231 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459725228 242194157 /nfs/dbraw/zinc/19/41/57/242194157.db2.gz BENMUPICCSMZRQ-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459725101 242194335 /nfs/dbraw/zinc/19/43/35/242194335.db2.gz BAEAPYIHTDHWCQ-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459797946 242239235 /nfs/dbraw/zinc/23/92/35/242239235.db2.gz XGSSEOPUYZAOHP-RDJZCZTQSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459781851 242230409 /nfs/dbraw/zinc/23/04/09/242230409.db2.gz MRJGYQOPWHWVFA-AEFFLSMTSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000478009396 243064554 /nfs/dbraw/zinc/06/45/54/243064554.db2.gz IPRDLJNJPSEVJP-SQNIBIBYSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000478009396 243064561 /nfs/dbraw/zinc/06/45/61/243064561.db2.gz IPRDLJNJPSEVJP-SQNIBIBYSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000478009396 243064564 /nfs/dbraw/zinc/06/45/64/243064564.db2.gz IPRDLJNJPSEVJP-SQNIBIBYSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000478009396 243064568 /nfs/dbraw/zinc/06/45/68/243064568.db2.gz IPRDLJNJPSEVJP-SQNIBIBYSA-N 2 1 296.499 3.245 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479120698 243094874 /nfs/dbraw/zinc/09/48/74/243094874.db2.gz UCGXLPMAMUNPCS-LRDDRELGSA-N 2 1 278.827 3.259 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000479379703 243100347 /nfs/dbraw/zinc/10/03/47/243100347.db2.gz HNNYJNRZSFZWHA-DOTOQJQBSA-N 2 1 281.403 3.059 20 0 CGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000479697179 243120492 /nfs/dbraw/zinc/12/04/92/243120492.db2.gz ZBQQUEKQYOJHHP-YOEHRIQHSA-N 2 1 290.426 3.393 20 0 CGADMP c1sc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1-c1ccccc1 ZINC000479945210 243130844 /nfs/dbraw/zinc/13/08/44/243130844.db2.gz YBOVJTCGFCZYKO-IYBDPMFKSA-N 2 1 284.428 3.066 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335488168 212164465 /nfs/dbraw/zinc/16/44/65/212164465.db2.gz NRCKNESOESTODF-OAHLLOKOSA-N 2 1 262.372 3.105 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000482895530 243251302 /nfs/dbraw/zinc/25/13/02/243251302.db2.gz FFMRFNJRHHYRRR-BZSNNMDCSA-N 2 1 296.499 3.028 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000483235262 243268626 /nfs/dbraw/zinc/26/86/26/243268626.db2.gz KZXKAKKDBHEQDK-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019914615 368784056 /nfs/dbraw/zinc/78/40/56/368784056.db2.gz OWZZEZFKQNYKBP-HNNXBMFYSA-N 2 1 260.425 3.285 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000019943130 368787648 /nfs/dbraw/zinc/78/76/48/368787648.db2.gz MRPUXRVQQLSMAV-LBPRGKRZSA-N 2 1 270.367 3.347 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccccc1OC ZINC000019942912 368787664 /nfs/dbraw/zinc/78/76/64/368787664.db2.gz BROKDNGEZPYXCL-AWEZNQCLSA-N 2 1 264.413 3.078 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000036301387 369015104 /nfs/dbraw/zinc/01/51/04/369015104.db2.gz DPICUKLRFSCWPU-UHFFFAOYSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908180 369036827 /nfs/dbraw/zinc/03/68/27/369036827.db2.gz IXDJTMHCCFPVMH-DYEKYZERSA-N 2 1 298.377 3.106 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908180 369036832 /nfs/dbraw/zinc/03/68/32/369036832.db2.gz IXDJTMHCCFPVMH-DYEKYZERSA-N 2 1 298.377 3.106 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036937793 369041756 /nfs/dbraw/zinc/04/17/56/369041756.db2.gz PUMGQPLAARBIEN-FCLXEUQJSA-N 2 1 292.854 3.486 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)c(F)c1 ZINC000036953150 369041821 /nfs/dbraw/zinc/04/18/21/369041821.db2.gz IRDMUNOWASNKOL-HLVVYCRESA-N 2 1 280.362 3.241 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC000036953150 369041827 /nfs/dbraw/zinc/04/18/27/369041827.db2.gz IRDMUNOWASNKOL-HLVVYCRESA-N 2 1 280.362 3.241 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2)CC1 ZINC000037149921 369069409 /nfs/dbraw/zinc/06/94/09/369069409.db2.gz LLUSBORJVUKWMQ-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000037644155 369092630 /nfs/dbraw/zinc/09/26/30/369092630.db2.gz KQLUNVXWSMHONR-UONOGXRCSA-N 2 1 272.392 3.425 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000037644155 369092637 /nfs/dbraw/zinc/09/26/37/369092637.db2.gz KQLUNVXWSMHONR-UONOGXRCSA-N 2 1 272.392 3.425 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649539 369097329 /nfs/dbraw/zinc/09/73/29/369097329.db2.gz YBXQMSMLDGNBCZ-HZPDHXFCSA-N 2 1 272.436 3.438 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649317 369097578 /nfs/dbraw/zinc/09/75/78/369097578.db2.gz RHHHMHHUVNZHEG-DOTOQJQBSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649315 369097764 /nfs/dbraw/zinc/09/77/64/369097764.db2.gz RHHHMHHUVNZHEG-RDJZCZTQSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000041075626 369171966 /nfs/dbraw/zinc/17/19/66/369171966.db2.gz QNKMEMYBTLDFJX-SFHVURJKSA-N 2 1 270.420 3.354 20 0 CGADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532812 369253632 /nfs/dbraw/zinc/25/36/32/369253632.db2.gz ZMIIBXQPJZXDJZ-NVXWUHKLSA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532812 369253639 /nfs/dbraw/zinc/25/36/39/369253639.db2.gz ZMIIBXQPJZXDJZ-NVXWUHKLSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)[C@H]1C ZINC000494895528 244327882 /nfs/dbraw/zinc/32/78/82/244327882.db2.gz SGKLOOYMHDGNOW-VRKREXBASA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000494888521 244328224 /nfs/dbraw/zinc/32/82/24/244328224.db2.gz IIQRHPYNHWNFBA-FXUDXRNXSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000049956852 369425398 /nfs/dbraw/zinc/42/53/98/369425398.db2.gz BRVBYRVPYQYFOO-OAHLLOKOSA-N 2 1 264.438 3.273 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000051919480 369457003 /nfs/dbraw/zinc/45/70/03/369457003.db2.gz XTEDOZAQIDBYNU-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP C(C[N@H+]1CCC[C@H]1C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000051919608 369457198 /nfs/dbraw/zinc/45/71/98/369457198.db2.gz ABKSIJKACBKIQV-HOCLYGCPSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000052206168 369467027 /nfs/dbraw/zinc/46/70/27/369467027.db2.gz OOBNSMVONBGRDL-ZFWWWQNUSA-N 2 1 264.413 3.421 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)c(C)o1 ZINC000052206168 369467034 /nfs/dbraw/zinc/46/70/34/369467034.db2.gz OOBNSMVONBGRDL-ZFWWWQNUSA-N 2 1 264.413 3.421 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)COCc1ccccc1 ZINC000337291926 376196415 /nfs/dbraw/zinc/19/64/15/376196415.db2.gz FNMQRJSRVVKXDH-QGZVFWFLSA-N 2 1 290.451 3.056 20 0 CGADMP C[NH2+]C[C@H]1CCCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000053703682 369488641 /nfs/dbraw/zinc/48/86/41/369488641.db2.gz ULZKETDFIUJTCT-GFCCVEGCSA-N 2 1 275.783 3.076 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(C)o1 ZINC000062078293 369619457 /nfs/dbraw/zinc/61/94/57/369619457.db2.gz NCZOKRVMWDGEHP-JSGCOSHPSA-N 2 1 264.413 3.279 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000067121828 369712060 /nfs/dbraw/zinc/71/20/60/369712060.db2.gz DXWXODKXLOBLHA-GFCCVEGCSA-N 2 1 275.371 3.065 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3cccnc32)C1 ZINC000072858418 369841495 /nfs/dbraw/zinc/84/14/95/369841495.db2.gz KECIZFYXJNRHCV-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072858418 369841499 /nfs/dbraw/zinc/84/14/99/369841499.db2.gz KECIZFYXJNRHCV-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072858418 369841504 /nfs/dbraw/zinc/84/15/04/369841504.db2.gz KECIZFYXJNRHCV-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC000070113483 369780921 /nfs/dbraw/zinc/78/09/21/369780921.db2.gz FCUKNCHNSWTLBF-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCCCO2)C1 ZINC000072965347 369846950 /nfs/dbraw/zinc/84/69/50/369846950.db2.gz BRUPAXGHBVZOGF-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000072965347 369846954 /nfs/dbraw/zinc/84/69/54/369846954.db2.gz BRUPAXGHBVZOGF-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000072965347 369846957 /nfs/dbraw/zinc/84/69/57/369846957.db2.gz BRUPAXGHBVZOGF-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000076002621 369925251 /nfs/dbraw/zinc/92/52/51/369925251.db2.gz LAAWMDRTMJWXTP-JKSUJKDBSA-N 2 1 260.425 3.411 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H]1C ZINC000085097492 370016314 /nfs/dbraw/zinc/01/63/14/370016314.db2.gz USZJQOIFMACWQY-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H]1C ZINC000085097492 370016320 /nfs/dbraw/zinc/01/63/20/370016320.db2.gz USZJQOIFMACWQY-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C12CCCC2 ZINC000085681390 370018950 /nfs/dbraw/zinc/01/89/50/370018950.db2.gz PHGJVBCZWCTJPV-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C12CCCC2 ZINC000085681390 370018953 /nfs/dbraw/zinc/01/89/53/370018953.db2.gz PHGJVBCZWCTJPV-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2csc3ccccc23)CC[N@H+]1C ZINC000090721146 370065004 /nfs/dbraw/zinc/06/50/04/370065004.db2.gz QFRBMBZTQITXHO-TZMCWYRMSA-N 2 1 274.433 3.474 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000090720346 370065170 /nfs/dbraw/zinc/06/51/70/370065170.db2.gz PRGYVDJRBDYOTA-BXUZGUMPSA-N 2 1 297.240 3.021 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043666 370089780 /nfs/dbraw/zinc/08/97/80/370089780.db2.gz FXSNIVCKDZMDQW-YJBOKZPZSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043666 370089784 /nfs/dbraw/zinc/08/97/84/370089784.db2.gz FXSNIVCKDZMDQW-YJBOKZPZSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043666 370089787 /nfs/dbraw/zinc/08/97/87/370089787.db2.gz FXSNIVCKDZMDQW-YJBOKZPZSA-N 2 1 283.419 3.084 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(F)c1 ZINC000423259508 296153212 /nfs/dbraw/zinc/15/32/12/296153212.db2.gz FBBHVPZLAGCOKK-WBMJQRKESA-N 2 1 264.388 3.384 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644470 370153306 /nfs/dbraw/zinc/15/33/06/370153306.db2.gz BTEBWCKARRCSRR-CJNGLKHVSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644470 370153310 /nfs/dbraw/zinc/15/33/10/370153310.db2.gz BTEBWCKARRCSRR-CJNGLKHVSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644470 370153313 /nfs/dbraw/zinc/15/33/13/370153313.db2.gz BTEBWCKARRCSRR-CJNGLKHVSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644470 370153317 /nfs/dbraw/zinc/15/33/17/370153317.db2.gz BTEBWCKARRCSRR-CJNGLKHVSA-N 2 1 264.388 3.049 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC)c2)C1 ZINC000093741886 370156256 /nfs/dbraw/zinc/15/62/56/370156256.db2.gz GOHLIUBZWJOKFL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC)c2)C1 ZINC000093741886 370156259 /nfs/dbraw/zinc/15/62/59/370156259.db2.gz GOHLIUBZWJOKFL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCC)c2)C1 ZINC000093741886 370156261 /nfs/dbraw/zinc/15/62/61/370156261.db2.gz GOHLIUBZWJOKFL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCC)c2)C1 ZINC000093741886 370156264 /nfs/dbraw/zinc/15/62/64/370156264.db2.gz GOHLIUBZWJOKFL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278722 370357224 /nfs/dbraw/zinc/35/72/24/370357224.db2.gz MTBALKKTGWXVFA-DOPJRALCSA-N 2 1 266.388 3.052 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000343981981 217003338 /nfs/dbraw/zinc/00/33/38/217003338.db2.gz KIHPJXVBOCFGSD-CABCVRRESA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000343981981 217003341 /nfs/dbraw/zinc/00/33/41/217003341.db2.gz KIHPJXVBOCFGSD-CABCVRRESA-N 2 1 270.461 3.044 20 0 CGADMP COCCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000117883732 370600598 /nfs/dbraw/zinc/60/05/98/370600598.db2.gz BEZSHNIOZDFDSU-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP COCCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000117883732 370600604 /nfs/dbraw/zinc/60/06/04/370600604.db2.gz BEZSHNIOZDFDSU-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000130143392 371013781 /nfs/dbraw/zinc/01/37/81/371013781.db2.gz JKPAZFATUFFCTK-BFHYXJOUSA-N 2 1 292.398 3.112 20 0 CGADMP Cc1ccsc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000130167499 371015490 /nfs/dbraw/zinc/01/54/90/371015490.db2.gz XWXHUUSZDYWYCJ-UHFFFAOYSA-N 2 1 264.438 3.021 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000130230888 371020088 /nfs/dbraw/zinc/02/00/88/371020088.db2.gz VXGPIDLPKGLRHB-OAHLLOKOSA-N 2 1 260.425 3.438 20 0 CGADMP Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132016678 371145674 /nfs/dbraw/zinc/14/56/74/371145674.db2.gz PFLAMILJNIMGLT-DLBZAZTESA-N 2 1 252.361 3.229 20 0 CGADMP CCOCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000131545776 371115766 /nfs/dbraw/zinc/11/57/66/371115766.db2.gz LSAGBZBMUWXENM-AWEZNQCLSA-N 2 1 287.407 3.258 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131671598 371122235 /nfs/dbraw/zinc/12/22/35/371122235.db2.gz KEBVNNCGRZOULH-WOPDTQHZSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131671598 371122240 /nfs/dbraw/zinc/12/22/40/371122240.db2.gz KEBVNNCGRZOULH-WOPDTQHZSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000131738742 371126225 /nfs/dbraw/zinc/12/62/25/371126225.db2.gz DOSDGTXNXXVGER-UKRRQHHQSA-N 2 1 254.377 3.009 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](CC)CC)[C@@H]1CCOC1 ZINC000132932283 371213620 /nfs/dbraw/zinc/21/36/20/371213620.db2.gz ZCALLODOXMSOEJ-ZACQAIPSSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133315435 371243172 /nfs/dbraw/zinc/24/31/72/371243172.db2.gz HUSPRXIVCTZQRK-CHWSQXEVSA-N 2 1 295.496 3.055 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000133986487 371293759 /nfs/dbraw/zinc/29/37/59/371293759.db2.gz FIYLFDAKMJFDIL-OWCLPIDISA-N 2 1 260.425 3.437 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000133986487 371293762 /nfs/dbraw/zinc/29/37/62/371293762.db2.gz FIYLFDAKMJFDIL-OWCLPIDISA-N 2 1 260.425 3.437 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000145415125 371518307 /nfs/dbraw/zinc/51/83/07/371518307.db2.gz OCSOOLUZNBQVLV-AWEZNQCLSA-N 2 1 291.826 3.490 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]c2ccccc12 ZINC000220296872 376207683 /nfs/dbraw/zinc/20/76/83/376207683.db2.gz IQVLPYRKNDYPBW-ZDUSSCGKSA-N 2 1 257.381 3.377 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150749454 371535878 /nfs/dbraw/zinc/53/58/78/371535878.db2.gz QPVIRJYQBTXIBC-IAGOWNOFSA-N 2 1 272.436 3.208 20 0 CGADMP CC(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000150942765 371552331 /nfs/dbraw/zinc/55/23/31/371552331.db2.gz IKJCKNCRCAHQNZ-UHFFFAOYSA-N 2 1 278.415 3.078 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000152029713 371665944 /nfs/dbraw/zinc/66/59/44/371665944.db2.gz YOUOSDUJJQUKSZ-NVXWUHKLSA-N 2 1 274.452 3.284 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421826725 371649296 /nfs/dbraw/zinc/64/92/96/371649296.db2.gz UMLJQZCIRAITOL-RYUDHWBXSA-N 2 1 292.814 3.227 20 0 CGADMP C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419283 371693240 /nfs/dbraw/zinc/69/32/40/371693240.db2.gz WZIPCUWQPSDSFP-GHMZBOCLSA-N 2 1 298.352 3.239 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419283 371693246 /nfs/dbraw/zinc/69/32/46/371693246.db2.gz WZIPCUWQPSDSFP-GHMZBOCLSA-N 2 1 298.352 3.239 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000422698514 371756481 /nfs/dbraw/zinc/75/64/81/371756481.db2.gz ZPKZEUOZIIQJKS-ACJTYDJDSA-N 2 1 264.800 3.274 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422701944 371759740 /nfs/dbraw/zinc/75/97/40/371759740.db2.gz CTKQNMCUSRZJPS-WBVHZDCISA-N 2 1 282.472 3.094 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000337321705 214005793 /nfs/dbraw/zinc/00/57/93/214005793.db2.gz CGQAQNFZLZTTRT-UHFFFAOYSA-N 2 1 288.357 3.479 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000337321705 214005795 /nfs/dbraw/zinc/00/57/95/214005795.db2.gz CGQAQNFZLZTTRT-UHFFFAOYSA-N 2 1 288.357 3.479 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337327654 214010013 /nfs/dbraw/zinc/01/00/13/214010013.db2.gz DKGVNOXTLDSYAR-CRAIPNDOSA-N 2 1 287.451 3.182 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422757122 371787197 /nfs/dbraw/zinc/78/71/97/371787197.db2.gz JNBNVSYBTLEIFS-YJBOKZPZSA-N 2 1 268.404 3.043 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000337338182 214014761 /nfs/dbraw/zinc/01/47/61/214014761.db2.gz PSLBYEAIHSFUOL-UHFFFAOYSA-N 2 1 256.393 3.223 20 0 CGADMP CC[C@H](C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422821293 371829691 /nfs/dbraw/zinc/82/96/91/371829691.db2.gz VIWUCWSVMLKBMX-BMFZPTHFSA-N 2 1 294.414 3.103 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422799270 371816500 /nfs/dbraw/zinc/81/65/00/371816500.db2.gz VZWGVEQVMSTMND-KGLIPLIRSA-N 2 1 286.341 3.455 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)c1c[nH+]ccc1N ZINC000422799352 371816693 /nfs/dbraw/zinc/81/66/93/371816693.db2.gz WHSBKAMKCKTNAQ-GHMZBOCLSA-N 2 1 291.345 3.227 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289783259 371820316 /nfs/dbraw/zinc/82/03/16/371820316.db2.gz RQOUIMNAFVBOJM-YJJAZYOBSA-N 2 1 286.463 3.422 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289783259 371820322 /nfs/dbraw/zinc/82/03/22/371820322.db2.gz RQOUIMNAFVBOJM-YJJAZYOBSA-N 2 1 286.463 3.422 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289783259 371820334 /nfs/dbraw/zinc/82/03/34/371820334.db2.gz RQOUIMNAFVBOJM-YJJAZYOBSA-N 2 1 286.463 3.422 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Nc1ccccc1 ZINC000154137512 371820948 /nfs/dbraw/zinc/82/09/48/371820948.db2.gz JIZDQRFDQUAWFR-SZMVWBNQSA-N 2 1 289.467 3.053 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000422804244 371821409 /nfs/dbraw/zinc/82/14/09/371821409.db2.gz DZCPCLSYNUGNLK-KBRIMQKVSA-N 2 1 258.409 3.176 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422837955 371835331 /nfs/dbraw/zinc/83/53/31/371835331.db2.gz NFYOAYWTWREGME-NFAWXSAZSA-N 2 1 296.842 3.228 20 0 CGADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422883720 371852897 /nfs/dbraw/zinc/85/28/97/371852897.db2.gz CUAVRCVGTZRVEL-MLGOLLRUSA-N 2 1 296.842 3.011 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCSCC(C)C)C1 ZINC000154871724 371886017 /nfs/dbraw/zinc/88/60/17/371886017.db2.gz LTRSBTAJZQIBOQ-INIZCTEOSA-N 2 1 286.529 3.429 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000154871724 371886021 /nfs/dbraw/zinc/88/60/21/371886021.db2.gz LTRSBTAJZQIBOQ-INIZCTEOSA-N 2 1 286.529 3.429 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000154871724 371886026 /nfs/dbraw/zinc/88/60/26/371886026.db2.gz LTRSBTAJZQIBOQ-INIZCTEOSA-N 2 1 286.529 3.429 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1F ZINC000422918936 371870026 /nfs/dbraw/zinc/87/00/26/371870026.db2.gz JBCWFOMGLZEIHM-DOMZBBRYSA-N 2 1 268.351 3.148 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000422930589 371876098 /nfs/dbraw/zinc/87/60/98/371876098.db2.gz VDRJTKRYAUEIBC-KFWWJZLASA-N 2 1 276.449 3.473 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422937331 371881795 /nfs/dbraw/zinc/88/17/95/371881795.db2.gz JMJAWVCSWJGHGV-RBUKOAKNSA-N 2 1 296.414 3.235 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422855014 371840778 /nfs/dbraw/zinc/84/07/78/371840778.db2.gz BSRDMJRETWIHKE-RBUKOAKNSA-N 2 1 296.414 3.498 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1(C)C ZINC000423048849 371934414 /nfs/dbraw/zinc/93/44/14/371934414.db2.gz JGMDLUVAEICQFG-WCXIOVBPSA-N 2 1 288.435 3.313 20 0 CGADMP C1=C(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000423053034 371935490 /nfs/dbraw/zinc/93/54/90/371935490.db2.gz RVGLFCMRJVTZFE-KURKYZTESA-N 2 1 292.467 3.014 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000422953970 371890343 /nfs/dbraw/zinc/89/03/43/371890343.db2.gz GSGLOHDMNMQQMN-GARJFASQSA-N 2 1 286.341 3.143 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000422967954 371895883 /nfs/dbraw/zinc/89/58/83/371895883.db2.gz PYAGPJLRBSKZMO-BPLDGKMQSA-N 2 1 267.376 3.091 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C/C=C/c1ccccc1 ZINC000422975260 371897778 /nfs/dbraw/zinc/89/77/78/371897778.db2.gz GILSNOZKOPOQIY-OCBLACHDSA-N 2 1 280.415 3.248 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000422981399 371901599 /nfs/dbraw/zinc/90/15/99/371901599.db2.gz SOPHDQUSBRPKJY-NXHRZFHOSA-N 2 1 289.467 3.243 20 0 CGADMP COc1cc(F)cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423016151 371915954 /nfs/dbraw/zinc/91/59/54/371915954.db2.gz MAZOHRRIPZWLEV-BBRMVZONSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423020677 371918410 /nfs/dbraw/zinc/91/84/10/371918410.db2.gz COOIUQSLVLLFPT-KFZJALRRSA-N 2 1 258.409 3.040 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423036645 371926386 /nfs/dbraw/zinc/92/63/86/371926386.db2.gz AURDVKKKKUKVLR-RYUDHWBXSA-N 2 1 288.439 3.409 20 0 CGADMP COCC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccco1 ZINC000423046623 371931749 /nfs/dbraw/zinc/93/17/49/371931749.db2.gz UFLVGVHBSZSBLY-OAGGEKHMSA-N 2 1 294.439 3.258 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)c2ccccc21 ZINC000423104120 371968528 /nfs/dbraw/zinc/96/85/28/371968528.db2.gz GQZURUBSINKRBV-RYUDHWBXSA-N 2 1 270.298 3.063 20 0 CGADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423124985 371978598 /nfs/dbraw/zinc/97/85/98/371978598.db2.gz PSINTTACBSAXNR-IAGOWNOFSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290409223 371984541 /nfs/dbraw/zinc/98/45/41/371984541.db2.gz JXNKEWUUWBICGM-RYRKJORJSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290409223 371984542 /nfs/dbraw/zinc/98/45/42/371984542.db2.gz JXNKEWUUWBICGM-RYRKJORJSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000290409223 371984549 /nfs/dbraw/zinc/98/45/49/371984549.db2.gz JXNKEWUUWBICGM-RYRKJORJSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290409223 371984552 /nfs/dbraw/zinc/98/45/52/371984552.db2.gz JXNKEWUUWBICGM-RYRKJORJSA-N 2 1 274.452 3.137 20 0 CGADMP COc1ccc([C@H](C)C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000290411524 371985043 /nfs/dbraw/zinc/98/50/43/371985043.db2.gz KBVWFBVBHOIMSP-OAHLLOKOSA-N 2 1 287.407 3.017 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1c[nH+]ccc1N ZINC000423142910 371988183 /nfs/dbraw/zinc/98/81/83/371988183.db2.gz BPSVZZHCGCSSFF-NWDGAFQWSA-N 2 1 285.416 3.034 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423073061 371947800 /nfs/dbraw/zinc/94/78/00/371947800.db2.gz KKSOAQSSMNXYFD-BGTYHANMSA-N 2 1 272.436 3.300 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423194694 372018927 /nfs/dbraw/zinc/01/89/27/372018927.db2.gz YGBUAJVHUFLJJF-GFCCVEGCSA-N 2 1 261.196 3.239 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(F)c1 ZINC000423194921 372019046 /nfs/dbraw/zinc/01/90/46/372019046.db2.gz ZMVYQCPQEMVKBD-AWEZNQCLSA-N 2 1 287.382 3.051 20 0 CGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000290639648 372032400 /nfs/dbraw/zinc/03/24/00/372032400.db2.gz YKJBJBAEWGSSRY-WFASDCNBSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000290639648 372032406 /nfs/dbraw/zinc/03/24/06/372032406.db2.gz YKJBJBAEWGSSRY-WFASDCNBSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000290639648 372032413 /nfs/dbraw/zinc/03/24/13/372032413.db2.gz YKJBJBAEWGSSRY-WFASDCNBSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000290639648 372032417 /nfs/dbraw/zinc/03/24/17/372032417.db2.gz YKJBJBAEWGSSRY-WFASDCNBSA-N 2 1 296.842 3.121 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CCCCC1 ZINC000423262358 372044860 /nfs/dbraw/zinc/04/48/60/372044860.db2.gz MDRLQZDDKWKDMH-ZWKOTPCHSA-N 2 1 288.435 3.267 20 0 CGADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000423359224 372055371 /nfs/dbraw/zinc/05/53/71/372055371.db2.gz CYYSWAFRUPYVPG-AYWUYMJWSA-N 2 1 294.389 3.044 20 0 CGADMP [NH3+]C1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCCCC1 ZINC000423175642 372005288 /nfs/dbraw/zinc/00/52/88/372005288.db2.gz FFQAQNOQJCQAII-INIZCTEOSA-N 2 1 273.424 3.174 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000425341081 372121943 /nfs/dbraw/zinc/12/19/43/372121943.db2.gz FPPXLFZRQSRCSW-RBSFLKMASA-N 2 1 284.513 3.371 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000425341081 372121947 /nfs/dbraw/zinc/12/19/47/372121947.db2.gz FPPXLFZRQSRCSW-RBSFLKMASA-N 2 1 284.513 3.371 20 0 CGADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000424210358 372080731 /nfs/dbraw/zinc/08/07/31/372080731.db2.gz VWWYOBPQKZLHPE-LTIDMASMSA-N 2 1 262.441 3.172 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000424372130 372085043 /nfs/dbraw/zinc/08/50/43/372085043.db2.gz VXFFINZWCXCPIT-CHWSQXEVSA-N 2 1 290.304 3.204 20 0 CGADMP Cc1ccc(CSCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000158969620 372095211 /nfs/dbraw/zinc/09/52/11/372095211.db2.gz XTXITELNENLTGY-RDJZCZTQSA-N 2 1 292.492 3.158 20 0 CGADMP CS[C@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000425349288 372122743 /nfs/dbraw/zinc/12/27/43/372122743.db2.gz FJOYTJPEXSSLJE-CABCVRRESA-N 2 1 270.486 3.125 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428997635 372301891 /nfs/dbraw/zinc/30/18/91/372301891.db2.gz QPVPZIBCLDGYSP-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428997635 372301895 /nfs/dbraw/zinc/30/18/95/372301895.db2.gz QPVPZIBCLDGYSP-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428997635 372301897 /nfs/dbraw/zinc/30/18/97/372301897.db2.gz QPVPZIBCLDGYSP-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccn2C)c1 ZINC000161824443 372355966 /nfs/dbraw/zinc/35/59/66/372355966.db2.gz GDDTXURSIIAXPK-UHFFFAOYSA-N 2 1 285.435 3.155 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000429530566 372372619 /nfs/dbraw/zinc/37/26/19/372372619.db2.gz SQKDMFCNNBLEGV-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000429517245 372374089 /nfs/dbraw/zinc/37/40/89/372374089.db2.gz MWVZNINVUSBWBH-XHSDSOJGSA-N 2 1 282.472 3.187 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CCC1 ZINC000429517245 372374095 /nfs/dbraw/zinc/37/40/95/372374095.db2.gz MWVZNINVUSBWBH-XHSDSOJGSA-N 2 1 282.472 3.187 20 0 CGADMP Cc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000162785003 372421506 /nfs/dbraw/zinc/42/15/06/372421506.db2.gz JFFVQDOPAKAORW-GOSISDBHSA-N 2 1 281.403 3.467 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000293778905 372479758 /nfs/dbraw/zinc/47/97/58/372479758.db2.gz SSXCQMKPBNBIBT-XSLAGTTESA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)C[C@@H]1CCCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431083802 372425809 /nfs/dbraw/zinc/42/58/09/372425809.db2.gz MRMVODKIJUEXNE-ZDUSSCGKSA-N 2 1 294.443 3.054 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000293676578 372445644 /nfs/dbraw/zinc/44/56/44/372445644.db2.gz RBSHIHAKPGARMY-NVXWUHKLSA-N 2 1 290.451 3.033 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000293676580 372445928 /nfs/dbraw/zinc/44/59/28/372445928.db2.gz RBSHIHAKPGARMY-RDJZCZTQSA-N 2 1 290.451 3.033 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293677607 372447417 /nfs/dbraw/zinc/44/74/17/372447417.db2.gz KDSRRLUUZLYLNJ-KRWDZBQOSA-N 2 1 292.854 3.345 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000293753978 372470210 /nfs/dbraw/zinc/47/02/10/372470210.db2.gz QOYRPELLGPSYER-LEUOFYLZSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000164612919 372526114 /nfs/dbraw/zinc/52/61/14/372526114.db2.gz RHNXMHYRTCCIAP-QGZVFWFLSA-N 2 1 269.392 3.249 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000165272478 372547631 /nfs/dbraw/zinc/54/76/31/372547631.db2.gz OJKVVTSFYFRUFG-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000432789310 372572614 /nfs/dbraw/zinc/57/26/14/372572614.db2.gz RAYBAOYOQPGSHH-CQSZACIVSA-N 2 1 296.418 3.340 20 0 CGADMP COC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000166704059 372580790 /nfs/dbraw/zinc/58/07/90/372580790.db2.gz NAHSOOCNVYTLFF-SCLBCKFNSA-N 2 1 299.418 3.256 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000167117251 372590943 /nfs/dbraw/zinc/59/09/43/372590943.db2.gz OUBIHQXLYJXEAG-WBMJQRKESA-N 2 1 296.455 3.119 20 0 CGADMP CCSc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435447617 372765439 /nfs/dbraw/zinc/76/54/39/372765439.db2.gz QGVAZZQZKUBQKH-HNNXBMFYSA-N 2 1 278.465 3.373 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1Cl ZINC000435432766 372762018 /nfs/dbraw/zinc/76/20/18/372762018.db2.gz ORHZPDBDCZFJTE-AWEZNQCLSA-N 2 1 266.816 3.222 20 0 CGADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435743396 372801786 /nfs/dbraw/zinc/80/17/86/372801786.db2.gz RNNKALDXAGWKHQ-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000435748704 372803811 /nfs/dbraw/zinc/80/38/11/372803811.db2.gz PNNOYVCDQYHUJX-CJNGLKHVSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)Cc2ccccc2C1 ZINC000297764236 373279231 /nfs/dbraw/zinc/27/92/31/373279231.db2.gz VBOUMOBAYFSTML-UHFFFAOYSA-N 2 1 284.447 3.008 20 0 CGADMP Cc1cc(NCc2ccc(N3CCCCC3)nc2)nc(C)[nH+]1 ZINC000298720627 373391314 /nfs/dbraw/zinc/39/13/14/373391314.db2.gz OOVHFLRXLYOZAN-UHFFFAOYSA-N 2 1 297.406 3.091 20 0 CGADMP CC(C)CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353622907 220198855 /nfs/dbraw/zinc/19/88/55/220198855.db2.gz PNDVMPZPOXAJPN-ARFHVFGLSA-N 2 1 284.513 3.228 20 0 CGADMP CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175725232 373510447 /nfs/dbraw/zinc/51/04/47/373510447.db2.gz QLYGJKFYNIAIML-WBVHZDCISA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175725232 373510449 /nfs/dbraw/zinc/51/04/49/373510449.db2.gz QLYGJKFYNIAIML-WBVHZDCISA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175725232 373510454 /nfs/dbraw/zinc/51/04/54/373510454.db2.gz QLYGJKFYNIAIML-WBVHZDCISA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175725232 373510460 /nfs/dbraw/zinc/51/04/60/373510460.db2.gz QLYGJKFYNIAIML-WBVHZDCISA-N 2 1 290.451 3.247 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000448075238 373547843 /nfs/dbraw/zinc/54/78/43/373547843.db2.gz UNSVBKHEDXRFOZ-OAHLLOKOSA-N 2 1 262.441 3.173 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000448075238 373547852 /nfs/dbraw/zinc/54/78/52/373547852.db2.gz UNSVBKHEDXRFOZ-OAHLLOKOSA-N 2 1 262.441 3.173 20 0 CGADMP CC(C)(C)[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000176827255 373635013 /nfs/dbraw/zinc/63/50/13/373635013.db2.gz IXKDWLHBQDGNGN-UHFFFAOYSA-N 2 1 267.804 3.410 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000300125760 373620417 /nfs/dbraw/zinc/62/04/17/373620417.db2.gz VEJLUVVVZAJKPJ-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449088704 373660980 /nfs/dbraw/zinc/66/09/80/373660980.db2.gz BUQGBRLYNBOXNY-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCSc2ccc(F)cc2)CC[N@H+]1C ZINC000178168932 373751563 /nfs/dbraw/zinc/75/15/63/373751563.db2.gz RCAUDNDZARXIJG-ZFWWWQNUSA-N 2 1 296.455 3.380 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000178344836 373768923 /nfs/dbraw/zinc/76/89/23/373768923.db2.gz LOQOCCIJZDIIPE-UHFFFAOYSA-N 3 1 295.515 3.148 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178957695 373821633 /nfs/dbraw/zinc/82/16/33/373821633.db2.gz JBKPXZDIRXTASD-GOSISDBHSA-N 2 1 272.436 3.083 20 0 CGADMP CC[C@@H](C)[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178955941 373821649 /nfs/dbraw/zinc/82/16/49/373821649.db2.gz VHBWOFJQRANKMT-OAHLLOKOSA-N 2 1 260.425 3.287 20 0 CGADMP CC[N@@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301511995 373782982 /nfs/dbraw/zinc/78/29/82/373782982.db2.gz IVSHZGKFANEDST-UHFFFAOYSA-N 2 1 289.810 3.420 20 0 CGADMP CC[N@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301511995 373782983 /nfs/dbraw/zinc/78/29/83/373782983.db2.gz IVSHZGKFANEDST-UHFFFAOYSA-N 2 1 289.810 3.420 20 0 CGADMP Cc1cc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000302559098 373895557 /nfs/dbraw/zinc/89/55/57/373895557.db2.gz KTEMIGQQFZUAJL-IBGZPJMESA-N 2 1 295.430 3.491 20 0 CGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179633325 373895930 /nfs/dbraw/zinc/89/59/30/373895930.db2.gz WLTNGBMBZOPVNH-QGZVFWFLSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179633325 373895938 /nfs/dbraw/zinc/89/59/38/373895938.db2.gz WLTNGBMBZOPVNH-QGZVFWFLSA-N 2 1 290.451 3.105 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449772021 373900974 /nfs/dbraw/zinc/90/09/74/373900974.db2.gz ZRPQMQQFGSRFIY-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179174370 373845095 /nfs/dbraw/zinc/84/50/95/373845095.db2.gz YJPUXDPZKJOCKH-IEBWSBKVSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179174370 373845098 /nfs/dbraw/zinc/84/50/98/373845098.db2.gz YJPUXDPZKJOCKH-IEBWSBKVSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179174370 373845100 /nfs/dbraw/zinc/84/51/00/373845100.db2.gz YJPUXDPZKJOCKH-IEBWSBKVSA-N 2 1 284.447 3.444 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]2CCC1CC2 ZINC000302768731 373956512 /nfs/dbraw/zinc/95/65/12/373956512.db2.gz MEPIRPCTCMWZAZ-UHFFFAOYSA-N 2 1 287.794 3.173 20 0 CGADMP C[NH+](C)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450253265 374022483 /nfs/dbraw/zinc/02/24/83/374022483.db2.gz NFJOKHQCLRPHHS-UXBLZVDNSA-N 2 1 258.409 3.116 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450463544 374147056 /nfs/dbraw/zinc/14/70/56/374147056.db2.gz PWYYXGZGDMSNQS-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450463544 374147058 /nfs/dbraw/zinc/14/70/58/374147058.db2.gz PWYYXGZGDMSNQS-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450463544 374147064 /nfs/dbraw/zinc/14/70/64/374147064.db2.gz PWYYXGZGDMSNQS-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]Cc1cccc2[nH]ccc21 ZINC000308627052 374171226 /nfs/dbraw/zinc/17/12/26/374171226.db2.gz BZAAEKDDMHYAGD-UHFFFAOYSA-N 2 1 271.408 3.132 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182032876 374206973 /nfs/dbraw/zinc/20/69/73/374206973.db2.gz LWEZGHLDOACVOW-SJLPKXTDSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182032876 374206981 /nfs/dbraw/zinc/20/69/81/374206981.db2.gz LWEZGHLDOACVOW-SJLPKXTDSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182032876 374206988 /nfs/dbraw/zinc/20/69/88/374206988.db2.gz LWEZGHLDOACVOW-SJLPKXTDSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311785383 374255345 /nfs/dbraw/zinc/25/53/45/374255345.db2.gz YZSRAZMDNFKFRO-AEGPPILISA-N 2 1 278.827 3.332 20 0 CGADMP c1coc(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000076276499 541910449 /nfs/dbraw/zinc/91/04/49/541910449.db2.gz JWAPXPAFPJPSEU-UHFFFAOYSA-N 2 1 298.430 3.466 20 0 CGADMP C[N@@H+]1CCC[C@H]1CNC1c2ccccc2-c2ccccc21 ZINC000182589092 374294115 /nfs/dbraw/zinc/29/41/15/374294115.db2.gz CAVVBSGHDJAEGQ-AWEZNQCLSA-N 2 1 278.399 3.440 20 0 CGADMP C[N@H+]1CCC[C@H]1CNC1c2ccccc2-c2ccccc21 ZINC000182589092 374294121 /nfs/dbraw/zinc/29/41/21/374294121.db2.gz CAVVBSGHDJAEGQ-AWEZNQCLSA-N 2 1 278.399 3.440 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCCC3)CC[N@@H+]1C ZINC000328222637 374360847 /nfs/dbraw/zinc/36/08/47/374360847.db2.gz APMTVNVKWHTXHD-ILXRZTDVSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCCC3)CC[N@H+]1C ZINC000328222637 374360854 /nfs/dbraw/zinc/36/08/54/374360854.db2.gz APMTVNVKWHTXHD-ILXRZTDVSA-N 2 1 250.430 3.172 20 0 CGADMP C([NH2+][C@H]1CCCC12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000328095158 374361407 /nfs/dbraw/zinc/36/14/07/374361407.db2.gz JNXRYFKUMOHWHQ-HOCLYGCPSA-N 2 1 262.441 3.173 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CCC1 ZINC000322497163 374352486 /nfs/dbraw/zinc/35/24/86/374352486.db2.gz CRBYFBDNKRQAPZ-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CCC1 ZINC000322497172 374353055 /nfs/dbraw/zinc/35/30/55/374353055.db2.gz CRBYFBDNKRQAPZ-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000084987707 541936039 /nfs/dbraw/zinc/93/60/39/541936039.db2.gz WKQZPDJLZGFKRJ-UGUYLWEFSA-N 2 1 252.446 3.131 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950642 374478052 /nfs/dbraw/zinc/47/80/52/374478052.db2.gz XEXGQJWJLICVLN-OAHLLOKOSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090118847 541957843 /nfs/dbraw/zinc/95/78/43/541957843.db2.gz ZMUOHLGJGRENKP-QAPCUYQASA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000090118847 541957848 /nfs/dbraw/zinc/95/78/48/541957848.db2.gz ZMUOHLGJGRENKP-QAPCUYQASA-N 2 1 272.436 3.429 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000090403580 541958650 /nfs/dbraw/zinc/95/86/50/541958650.db2.gz FBLGQGNWCSDQGD-QWHCGFSZSA-N 2 1 281.469 3.224 20 0 CGADMP CCC(CC)(CC)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400173 541959473 /nfs/dbraw/zinc/95/94/73/541959473.db2.gz AVOLIBDHUJFYPJ-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CC/C=C/CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000184567735 374540255 /nfs/dbraw/zinc/54/02/55/374540255.db2.gz SSXXTJOIZBPBGS-QDLOVBKTSA-N 2 1 250.430 3.293 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185635675 374702146 /nfs/dbraw/zinc/70/21/46/374702146.db2.gz FVEXUBMOURCDTN-YOEHRIQHSA-N 2 1 299.418 3.126 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000186321537 374831682 /nfs/dbraw/zinc/83/16/82/374831682.db2.gz VFDJDHGWPARZGL-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000094357687 541985519 /nfs/dbraw/zinc/98/55/19/541985519.db2.gz YDMWKXVDMAZHRQ-AWEZNQCLSA-N 2 1 270.420 3.138 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000187399459 375016928 /nfs/dbraw/zinc/01/69/28/375016928.db2.gz YTTNCBZRTWEJPD-KRWDZBQOSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000187399459 375016938 /nfs/dbraw/zinc/01/69/38/375016938.db2.gz YTTNCBZRTWEJPD-KRWDZBQOSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000187399459 375016944 /nfs/dbraw/zinc/01/69/44/375016944.db2.gz YTTNCBZRTWEJPD-KRWDZBQOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1F ZINC000335023405 375076862 /nfs/dbraw/zinc/07/68/62/375076862.db2.gz IGAHOJREGMTUBH-IRXDYDNUSA-N 2 1 270.351 3.369 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000187754995 375088701 /nfs/dbraw/zinc/08/87/01/375088701.db2.gz LZVYHZLVPZCAIN-ZBFHGGJFSA-N 2 1 278.415 3.221 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000480620094 375160648 /nfs/dbraw/zinc/16/06/48/375160648.db2.gz ZSPZHTOYZDWIQE-YHUYYLMFSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000480620094 375160655 /nfs/dbraw/zinc/16/06/55/375160655.db2.gz ZSPZHTOYZDWIQE-YHUYYLMFSA-N 2 1 252.446 3.418 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000474605520 375119944 /nfs/dbraw/zinc/11/99/44/375119944.db2.gz LANZHPGRBLBXDL-VSZNYVQBSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C1CC([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000488431013 375308479 /nfs/dbraw/zinc/30/84/79/375308479.db2.gz FRHNFJHKVZJZQD-FXQLRMTLSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000488431013 375308484 /nfs/dbraw/zinc/30/84/84/375308484.db2.gz FRHNFJHKVZJZQD-FXQLRMTLSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1F)CC1CC[NH+](C)CC1 ZINC000189023483 375313149 /nfs/dbraw/zinc/31/31/49/375313149.db2.gz FQMMWRFLAUHJKC-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000189115145 375327350 /nfs/dbraw/zinc/32/73/50/375327350.db2.gz ZGAGXDUJQZFSBO-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000189115145 375327355 /nfs/dbraw/zinc/32/73/55/375327355.db2.gz ZGAGXDUJQZFSBO-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000189115145 375327360 /nfs/dbraw/zinc/32/73/60/375327360.db2.gz ZGAGXDUJQZFSBO-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCCC(F)(F)C1)CC[NH2+]CC2 ZINC000335275787 375258708 /nfs/dbraw/zinc/25/87/08/375258708.db2.gz DFWIADPGLBRAHU-ZIAGYGMSSA-N 2 1 286.410 3.276 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491588277 375334059 /nfs/dbraw/zinc/33/40/59/375334059.db2.gz GQXPALBNNNYOFZ-GFCCVEGCSA-N 2 1 268.832 3.190 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)ccc2n1 ZINC000189702135 375436886 /nfs/dbraw/zinc/43/68/86/375436886.db2.gz QWTOQIGSQGQPSH-KRWDZBQOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2cc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)ccc2n1 ZINC000189702135 375436895 /nfs/dbraw/zinc/43/68/95/375436895.db2.gz QWTOQIGSQGQPSH-KRWDZBQOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2cc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)ccc2n1 ZINC000189702135 375436899 /nfs/dbraw/zinc/43/68/99/375436899.db2.gz QWTOQIGSQGQPSH-KRWDZBQOSA-N 2 1 297.446 3.317 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000191065311 375571063 /nfs/dbraw/zinc/57/10/63/375571063.db2.gz MZLYILVDBLXZPH-WBVHZDCISA-N 2 1 264.457 3.252 20 0 CGADMP C[C@H]1CCSCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000191816629 375667174 /nfs/dbraw/zinc/66/71/74/375667174.db2.gz VVPXCTLNOJXNBW-AWEZNQCLSA-N 2 1 287.432 3.200 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000507498108 375708433 /nfs/dbraw/zinc/70/84/33/375708433.db2.gz UEFSVDANLKVJEL-ZWKOTPCHSA-N 2 1 297.531 3.064 20 0 CGADMP CCC(CC)(CC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000126361106 542040049 /nfs/dbraw/zinc/04/00/49/542040049.db2.gz IUUWQSBXTLAETM-KRWDZBQOSA-N 2 1 292.467 3.038 20 0 CGADMP CCC(CC)(CC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000126361106 542040054 /nfs/dbraw/zinc/04/00/54/542040054.db2.gz IUUWQSBXTLAETM-KRWDZBQOSA-N 2 1 292.467 3.038 20 0 CGADMP FC1(F)CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000336187627 375755179 /nfs/dbraw/zinc/75/51/79/375755179.db2.gz NCKDXAOMMBEFEH-CABCVRRESA-N 2 1 286.410 3.372 20 0 CGADMP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000127904949 542048405 /nfs/dbraw/zinc/04/84/05/542048405.db2.gz YNSOEJKDBKVXJF-CRAIPNDOSA-N 2 1 289.467 3.423 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCc2ccccc2)CC[N@H+]1C ZINC000128728604 542052896 /nfs/dbraw/zinc/05/28/96/542052896.db2.gz GLHNGVBLAKNDKK-NVXWUHKLSA-N 2 1 260.425 3.082 20 0 CGADMP Cc1c[nH+]ccc1NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000192648996 375774034 /nfs/dbraw/zinc/77/40/34/375774034.db2.gz HRRJVOXOGTZVAN-UHFFFAOYSA-N 2 1 273.355 3.073 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)cs1 ZINC000193085636 375824221 /nfs/dbraw/zinc/82/42/21/375824221.db2.gz BPKROFCAJNWKGB-JTQLQIEISA-N 2 1 283.828 3.332 20 0 CGADMP CCO[C@@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000193433117 375878158 /nfs/dbraw/zinc/87/81/58/375878158.db2.gz QZHWYRUGLZYWJW-LAQRGFTBSA-N 2 1 290.451 3.083 20 0 CGADMP FC(F)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000131353287 542069822 /nfs/dbraw/zinc/06/98/22/542069822.db2.gz MVHZEVCNPOQFJW-UHFFFAOYSA-N 2 1 280.362 3.341 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000336655993 375896863 /nfs/dbraw/zinc/89/68/63/375896863.db2.gz JVRBZLPZLVGJDU-BFYDXBDKSA-N 2 1 260.425 3.143 20 0 CGADMP C=Cn1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000194266632 375975481 /nfs/dbraw/zinc/97/54/81/375975481.db2.gz FPVNZKAZOYNPGO-UHFFFAOYSA-N 2 1 298.434 3.114 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336716903 375919519 /nfs/dbraw/zinc/91/95/19/375919519.db2.gz QDOYZPYCXDCJEE-PBHICJAKSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131502497 296237678 /nfs/dbraw/zinc/23/76/78/296237678.db2.gz LLGGTDZRHJCMAN-GRYCIOLGSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131502497 296237679 /nfs/dbraw/zinc/23/76/79/296237679.db2.gz LLGGTDZRHJCMAN-GRYCIOLGSA-N 2 1 297.240 3.179 20 0 CGADMP CSC1(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000336786346 375936599 /nfs/dbraw/zinc/93/65/99/375936599.db2.gz HSMROGCLOFWRFF-AWEZNQCLSA-N 2 1 270.486 3.126 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2CCCCn2ccnc2C)on1 ZINC000336834812 375996326 /nfs/dbraw/zinc/99/63/26/375996326.db2.gz HNAHAIJOXXKVOM-OAHLLOKOSA-N 2 1 288.395 3.105 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)on1 ZINC000336834812 375996332 /nfs/dbraw/zinc/99/63/32/375996332.db2.gz HNAHAIJOXXKVOM-OAHLLOKOSA-N 2 1 288.395 3.105 20 0 CGADMP Cc1[nH+]ccn1CCCCn1cnc2c1C[C@H](C)[C@H](C)C2 ZINC000336849663 376011671 /nfs/dbraw/zinc/01/16/71/376011671.db2.gz SLRDQAWOLXRZGL-KGLIPLIRSA-N 2 1 286.423 3.239 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cscn1 ZINC000536626158 376104824 /nfs/dbraw/zinc/10/48/24/376104824.db2.gz GSUFCQIWHOTTQZ-GFCCVEGCSA-N 2 1 275.421 3.056 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000536700793 376126999 /nfs/dbraw/zinc/12/69/99/376126999.db2.gz YREROPGCYIYZAU-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCSc1ccccc1 ZINC000536862126 376139948 /nfs/dbraw/zinc/13/99/48/376139948.db2.gz HAVOEDBVVMOJEY-BFYDXBDKSA-N 2 1 292.492 3.487 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000537294565 376160275 /nfs/dbraw/zinc/16/02/75/376160275.db2.gz FBAQPGDDMCCMTG-IXDOHACOSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537977564 376213573 /nfs/dbraw/zinc/21/35/73/376213573.db2.gz MLUYBYXVYRBZGL-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP COc1ccc(OC)c([C@@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000221910210 376222923 /nfs/dbraw/zinc/22/29/23/376222923.db2.gz RKJNHLMKLFORSU-CQSZACIVSA-N 2 1 294.439 3.085 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000221851750 376223274 /nfs/dbraw/zinc/22/32/74/376223274.db2.gz PZYASIAKGUGMOX-OFQRWUPVSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000221851750 376223282 /nfs/dbraw/zinc/22/32/82/376223282.db2.gz PZYASIAKGUGMOX-OFQRWUPVSA-N 2 1 276.424 3.219 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000222236977 376231092 /nfs/dbraw/zinc/23/10/92/376231092.db2.gz FIYLFDAKMJFDIL-HRCADAONSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000222236977 376231096 /nfs/dbraw/zinc/23/10/96/376231096.db2.gz FIYLFDAKMJFDIL-HRCADAONSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000338306631 376326028 /nfs/dbraw/zinc/32/60/28/376326028.db2.gz NNMNGIXHYIHSHO-LSDHHAIUSA-N 2 1 297.393 3.481 20 0 CGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000338306631 376326033 /nfs/dbraw/zinc/32/60/33/376326033.db2.gz NNMNGIXHYIHSHO-LSDHHAIUSA-N 2 1 297.393 3.481 20 0 CGADMP CC[NH+](CC)CCC[N@H+](Cc1ccccc1)C1CC1 ZINC000338312319 376328322 /nfs/dbraw/zinc/32/83/22/376328322.db2.gz GZNSFPQDVFZDHO-UHFFFAOYSA-N 2 1 260.425 3.383 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000338312319 376328328 /nfs/dbraw/zinc/32/83/28/376328328.db2.gz GZNSFPQDVFZDHO-UHFFFAOYSA-N 2 1 260.425 3.383 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000539837473 376340111 /nfs/dbraw/zinc/34/01/11/376340111.db2.gz FCXNPRMFJHTPFP-QWHCGFSZSA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000539837473 376340121 /nfs/dbraw/zinc/34/01/21/376340121.db2.gz FCXNPRMFJHTPFP-QWHCGFSZSA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000539837473 376340128 /nfs/dbraw/zinc/34/01/28/376340128.db2.gz FCXNPRMFJHTPFP-QWHCGFSZSA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000539837473 376340135 /nfs/dbraw/zinc/34/01/35/376340135.db2.gz FCXNPRMFJHTPFP-QWHCGFSZSA-N 2 1 266.454 3.225 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000226448020 376359961 /nfs/dbraw/zinc/35/99/61/376359961.db2.gz FWSUDDSJHPSPRR-AWEZNQCLSA-N 2 1 268.351 3.198 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000540606687 376386097 /nfs/dbraw/zinc/38/60/97/376386097.db2.gz PYRDSQAWISCMOJ-MRXNPFEDSA-N 2 1 276.811 3.179 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000230000618 376480212 /nfs/dbraw/zinc/48/02/12/376480212.db2.gz JDLVSQIIMKOWDA-UHFFFAOYSA-N 2 1 260.406 3.099 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1cccs1)Cc1ccccc1 ZINC000230000618 376480223 /nfs/dbraw/zinc/48/02/23/376480223.db2.gz JDLVSQIIMKOWDA-UHFFFAOYSA-N 2 1 260.406 3.099 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000228809292 376449243 /nfs/dbraw/zinc/44/92/43/376449243.db2.gz MUOCDVNVMUCJTI-CHWSQXEVSA-N 2 1 280.378 3.427 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000541536160 376455756 /nfs/dbraw/zinc/45/57/56/376455756.db2.gz BQQAZPVUHVHDAD-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000541536160 376455764 /nfs/dbraw/zinc/45/57/64/376455764.db2.gz BQQAZPVUHVHDAD-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000541536160 376455771 /nfs/dbraw/zinc/45/57/71/376455771.db2.gz BQQAZPVUHVHDAD-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4(C5CC5)CC4)[C@@H]3C2)cc1 ZINC000541882381 376491172 /nfs/dbraw/zinc/49/11/72/376491172.db2.gz JGZBCPKWBZPMOX-QXAKKESOSA-N 2 1 296.458 3.429 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000230993539 376551609 /nfs/dbraw/zinc/55/16/09/376551609.db2.gz PYPNPPAOOBJYOO-XHSDSOJGSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+]C(C2CCC2)C2CCC2)CCCO1 ZINC000338778266 376528299 /nfs/dbraw/zinc/52/82/99/376528299.db2.gz KBRRYAYUNLFDIN-HNNXBMFYSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]C(C2CCC2)C2CCC2)CCCO1 ZINC000338778266 376528308 /nfs/dbraw/zinc/52/83/08/376528308.db2.gz KBRRYAYUNLFDIN-HNNXBMFYSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000230991515 376548534 /nfs/dbraw/zinc/54/85/34/376548534.db2.gz ZIONOZZTQPSHSG-GOEBONIOSA-N 2 1 264.457 3.418 20 0 CGADMP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCC[C@@H]1CN1CCCC1)C2 ZINC000542914281 376589321 /nfs/dbraw/zinc/58/93/21/376589321.db2.gz DPXAUZJVLFGCHF-YLJYHZDGSA-N 2 1 298.474 3.352 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000543137992 376611253 /nfs/dbraw/zinc/61/12/53/376611253.db2.gz CSPKEYDLJYEUSF-BBRMVZONSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000543137992 376611256 /nfs/dbraw/zinc/61/12/56/376611256.db2.gz CSPKEYDLJYEUSF-BBRMVZONSA-N 2 1 296.405 3.169 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cccc(F)c2F)C[C@H]1C ZINC000543208563 376619950 /nfs/dbraw/zinc/61/99/50/376619950.db2.gz UDFRBYXUMFXKCR-HIFRSBDPSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(F)c2F)C[C@H]1C ZINC000543208563 376619956 /nfs/dbraw/zinc/61/99/56/376619956.db2.gz UDFRBYXUMFXKCR-HIFRSBDPSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(F)c2F)C[C@H]1C ZINC000543208563 376619962 /nfs/dbraw/zinc/61/99/62/376619962.db2.gz UDFRBYXUMFXKCR-HIFRSBDPSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(F)c2F)C[C@H]1C ZINC000543208563 376619970 /nfs/dbraw/zinc/61/99/70/376619970.db2.gz UDFRBYXUMFXKCR-HIFRSBDPSA-N 2 1 296.405 3.312 20 0 CGADMP Cc1ccc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000543253306 376624320 /nfs/dbraw/zinc/62/43/20/376624320.db2.gz OVVFXXMZLDPISI-MSOLQXFVSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000543253306 376624329 /nfs/dbraw/zinc/62/43/29/376624329.db2.gz OVVFXXMZLDPISI-MSOLQXFVSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000543253306 376624333 /nfs/dbraw/zinc/62/43/33/376624333.db2.gz OVVFXXMZLDPISI-MSOLQXFVSA-N 2 1 272.436 3.269 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000382360974 572358837 /nfs/dbraw/zinc/35/88/37/572358837.db2.gz MMAREFFXKDFOAG-LRDDRELGSA-N 2 1 280.843 3.126 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000382360974 572358843 /nfs/dbraw/zinc/35/88/43/572358843.db2.gz MMAREFFXKDFOAG-LRDDRELGSA-N 2 1 280.843 3.126 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000235574987 376646582 /nfs/dbraw/zinc/64/65/82/376646582.db2.gz RTJCTQORYOHKEX-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000235697783 376648728 /nfs/dbraw/zinc/64/87/28/376648728.db2.gz GTFMXYDGSGVNTN-JSGCOSHPSA-N 2 1 266.816 3.160 20 0 CGADMP CCc1nocc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339184566 376731152 /nfs/dbraw/zinc/73/11/52/376731152.db2.gz PTBIGXCPKGAAIT-GASCZTMLSA-N 2 1 293.455 3.085 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC000237532150 376747477 /nfs/dbraw/zinc/74/74/77/376747477.db2.gz UAHDFHBLQGBVBD-OAHLLOKOSA-N 2 1 271.408 3.234 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(CC)CC)[C@@H](C)C1 ZINC000154188601 542116385 /nfs/dbraw/zinc/11/63/85/542116385.db2.gz SIDMTMCEJKKGLS-RDJZCZTQSA-N 2 1 284.488 3.149 20 0 CGADMP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)c1cccc(O)c1 ZINC000245684982 376879195 /nfs/dbraw/zinc/87/91/95/376879195.db2.gz UYTBBSRFNVVALI-ZBFHGGJFSA-N 2 1 276.424 3.259 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)c1cccc(O)c1 ZINC000245684982 376879212 /nfs/dbraw/zinc/87/92/12/376879212.db2.gz UYTBBSRFNVVALI-ZBFHGGJFSA-N 2 1 276.424 3.259 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)c1cccc(O)c1 ZINC000245684982 376879218 /nfs/dbraw/zinc/87/92/18/376879218.db2.gz UYTBBSRFNVVALI-ZBFHGGJFSA-N 2 1 276.424 3.259 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)c1cccc(O)c1 ZINC000245684982 376879222 /nfs/dbraw/zinc/87/92/22/376879222.db2.gz UYTBBSRFNVVALI-ZBFHGGJFSA-N 2 1 276.424 3.259 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@H]2CCC[C@H]21 ZINC000556865768 376892088 /nfs/dbraw/zinc/89/20/88/376892088.db2.gz GHJQBONCBHRQTQ-VNQPRFMTSA-N 2 1 278.827 3.302 20 0 CGADMP CSc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000558491074 377014650 /nfs/dbraw/zinc/01/46/50/377014650.db2.gz VAHNVRRXWJIEMH-GFCCVEGCSA-N 2 1 284.494 3.290 20 0 CGADMP CSC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340373606 377026136 /nfs/dbraw/zinc/02/61/36/377026136.db2.gz VHGKONWIQNVTKS-JKSUJKDBSA-N 2 1 290.476 3.307 20 0 CGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340373606 377026142 /nfs/dbraw/zinc/02/61/42/377026142.db2.gz VHGKONWIQNVTKS-JKSUJKDBSA-N 2 1 290.476 3.307 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(C)c1 ZINC000246441621 377030560 /nfs/dbraw/zinc/03/05/60/377030560.db2.gz OOLXYAUBXAAGPR-YESZJQIVSA-N 2 1 290.451 3.225 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558698653 377035858 /nfs/dbraw/zinc/03/58/58/377035858.db2.gz WAQIFNSIFPTWOF-NNXHMXCWSA-N 2 1 264.457 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000246220788 376991709 /nfs/dbraw/zinc/99/17/09/376991709.db2.gz PZQSKJFDNHQWHL-YJBOKZPZSA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2)C1 ZINC000558419286 377006891 /nfs/dbraw/zinc/00/68/91/377006891.db2.gz SKXDFYSKXAPEEP-DOTOQJQBSA-N 2 1 292.442 3.467 20 0 CGADMP CCCC[C@H]([NH2+]C1CC[NH+](CC)CC1)C1CCC1 ZINC000558423709 377007387 /nfs/dbraw/zinc/00/73/87/377007387.db2.gz OPOVUUSNWLAEHL-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246894554 377113618 /nfs/dbraw/zinc/11/36/18/377113618.db2.gz FNSYBLPIFKNDDI-WOSRLPQWSA-N 2 1 278.465 3.227 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000246907547 377116975 /nfs/dbraw/zinc/11/69/75/377116975.db2.gz GDJFZEZHRBTDOO-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000246912523 377117202 /nfs/dbraw/zinc/11/72/02/377117202.db2.gz GISOCTOOQAOKDS-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000246912523 377117209 /nfs/dbraw/zinc/11/72/09/377117209.db2.gz GISOCTOOQAOKDS-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246922407 377119558 /nfs/dbraw/zinc/11/95/58/377119558.db2.gz GNCQRVOBXUSXAK-JFIYKMOQSA-N 2 1 290.451 3.001 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000246932695 377121072 /nfs/dbraw/zinc/12/10/72/377121072.db2.gz HFVDUPDQEWJNIB-LALPHHSUSA-N 2 1 266.454 3.129 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000246926703 377122385 /nfs/dbraw/zinc/12/23/85/377122385.db2.gz JGTZKUXBBDPJIK-YOEHRIQHSA-N 2 1 283.419 3.055 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968189 377056789 /nfs/dbraw/zinc/05/67/89/377056789.db2.gz CUXLHXSXVRSZFZ-LMSBXDPUSA-N 2 1 274.452 3.499 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@H]2CCC[C@H]21 ZINC000340453985 377067530 /nfs/dbraw/zinc/06/75/30/377067530.db2.gz SSSBPILBOPBSFK-IXDOHACOSA-N 2 1 284.403 3.395 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340458557 377072444 /nfs/dbraw/zinc/07/24/44/377072444.db2.gz AZAMKKDHJSSOTA-YQQAZPJKSA-N 2 1 278.415 3.235 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000246785945 377089213 /nfs/dbraw/zinc/08/92/13/377089213.db2.gz CNUPZQPIQLNKAS-AGIUHOORSA-N 2 1 278.362 3.039 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000246965584 377129730 /nfs/dbraw/zinc/12/97/30/377129730.db2.gz LLCMVKQCVVQQSS-DQIHPLBOSA-N 2 1 264.457 3.418 20 0 CGADMP Fc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247027993 377142847 /nfs/dbraw/zinc/14/28/47/377142847.db2.gz YGSWVYGFYDRRAP-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247027993 377142856 /nfs/dbraw/zinc/14/28/56/377142856.db2.gz YGSWVYGFYDRRAP-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247027993 377142872 /nfs/dbraw/zinc/14/28/72/377142872.db2.gz YGSWVYGFYDRRAP-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247027993 377142879 /nfs/dbraw/zinc/14/28/79/377142879.db2.gz YGSWVYGFYDRRAP-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000247093405 377158621 /nfs/dbraw/zinc/15/86/21/377158621.db2.gz PMZADYJEYJXCLW-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000247169882 377169998 /nfs/dbraw/zinc/16/99/98/377169998.db2.gz RCPBMJNOLQNNRD-WFASDCNBSA-N 2 1 298.377 3.108 20 0 CGADMP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)C1CCCC1 ZINC000247193866 377175425 /nfs/dbraw/zinc/17/54/25/377175425.db2.gz UOHUVTPBJHHYQE-RYQLBKOJSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000247221260 377179875 /nfs/dbraw/zinc/17/98/75/377179875.db2.gz RFSWDTGQXOZOFC-FUHWJXTLSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000247221260 377179884 /nfs/dbraw/zinc/17/98/84/377179884.db2.gz RFSWDTGQXOZOFC-FUHWJXTLSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000247221260 377179895 /nfs/dbraw/zinc/17/98/95/377179895.db2.gz RFSWDTGQXOZOFC-FUHWJXTLSA-N 2 1 274.452 3.200 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000562020514 377267401 /nfs/dbraw/zinc/26/74/01/377267401.db2.gz XPGHDVOQWAHGGV-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000561783565 377245646 /nfs/dbraw/zinc/24/56/46/377245646.db2.gz WGVYBIUKUCOMRR-CVEARBPZSA-N 2 1 292.467 3.336 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000561783565 377245655 /nfs/dbraw/zinc/24/56/55/377245655.db2.gz WGVYBIUKUCOMRR-CVEARBPZSA-N 2 1 292.467 3.336 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOC2CCCCCC2)[C@@H](C)C1 ZINC000248170148 377274484 /nfs/dbraw/zinc/27/44/84/377274484.db2.gz UQEHNINKMWOMLW-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248720324 377387308 /nfs/dbraw/zinc/38/73/08/377387308.db2.gz SLNBGXSIUAPEDY-MNOVXSKESA-N 2 1 272.845 3.394 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248720324 377387312 /nfs/dbraw/zinc/38/73/12/377387312.db2.gz SLNBGXSIUAPEDY-MNOVXSKESA-N 2 1 272.845 3.394 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000248757151 377396758 /nfs/dbraw/zinc/39/67/58/377396758.db2.gz CRWFDDSMMCVEMS-CRAIPNDOSA-N 2 1 289.467 3.328 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)nc1 ZINC000563269431 377429416 /nfs/dbraw/zinc/42/94/16/377429416.db2.gz SGPTXMQJCPHVHM-IBGZPJMESA-N 2 1 293.414 3.064 20 0 CGADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000563353131 377446354 /nfs/dbraw/zinc/44/63/54/377446354.db2.gz ATUQSKJMOWNUJK-SFHVURJKSA-N 2 1 299.418 3.198 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000563353131 377446360 /nfs/dbraw/zinc/44/63/60/377446360.db2.gz ATUQSKJMOWNUJK-SFHVURJKSA-N 2 1 299.418 3.198 20 0 CGADMP CCCCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000248824663 377407068 /nfs/dbraw/zinc/40/70/68/377407068.db2.gz FWVGSHWVLZUORN-QHEDDYRISA-N 2 1 294.483 3.185 20 0 CGADMP CC(C)(C)c1nc(C[NH2+]Cc2ccc(C[NH3+])cc2)cs1 ZINC000563135489 377408352 /nfs/dbraw/zinc/40/83/52/377408352.db2.gz NODGPXPWCYXJCC-UHFFFAOYSA-N 2 1 289.448 3.189 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249246425 377480502 /nfs/dbraw/zinc/48/05/02/377480502.db2.gz BDDZCWAVRMCNBD-QXAKKESOSA-N 2 1 286.463 3.380 20 0 CGADMP CCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249257397 377483270 /nfs/dbraw/zinc/48/32/70/377483270.db2.gz GYCQMIXVMRDTKK-DZKIICNBSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249257397 377483275 /nfs/dbraw/zinc/48/32/75/377483275.db2.gz GYCQMIXVMRDTKK-DZKIICNBSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249257397 377483283 /nfs/dbraw/zinc/48/32/83/377483283.db2.gz GYCQMIXVMRDTKK-DZKIICNBSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249257397 377483288 /nfs/dbraw/zinc/48/32/88/377483288.db2.gz GYCQMIXVMRDTKK-DZKIICNBSA-N 2 1 250.430 3.124 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000249876508 377539147 /nfs/dbraw/zinc/53/91/47/377539147.db2.gz JGWYCJWEQKQYMO-HOCLYGCPSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)nc1C ZINC000314056237 249094200 /nfs/dbraw/zinc/09/42/00/249094200.db2.gz QPTHNYUFXPQPNZ-GDBMZVCRSA-N 2 1 275.440 3.099 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCc2ccc(Cl)cc2)C1 ZINC000459549062 249156122 /nfs/dbraw/zinc/15/61/22/249156122.db2.gz CIJRXKPCMNKBFB-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250255575 377557431 /nfs/dbraw/zinc/55/74/31/377557431.db2.gz QIVKZTRLOJDDSY-CCRGXQTGSA-N 2 1 288.410 3.288 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470021234 249165881 /nfs/dbraw/zinc/16/58/81/249165881.db2.gz SOQAPZQPUANADW-DOTOQJQBSA-N 2 1 260.425 3.112 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C12CCC2 ZINC000250488657 377559979 /nfs/dbraw/zinc/55/99/79/377559979.db2.gz HPVBCDSJWYEWFU-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250515328 377561687 /nfs/dbraw/zinc/56/16/87/377561687.db2.gz NAUUDIQFXUXWOR-XHSDSOJGSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250515328 377561693 /nfs/dbraw/zinc/56/16/93/377561693.db2.gz NAUUDIQFXUXWOR-XHSDSOJGSA-N 2 1 288.435 3.363 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250891344 377569715 /nfs/dbraw/zinc/56/97/15/377569715.db2.gz XQRCFHRTTBPVFG-ZOBORPQBSA-N 2 1 290.373 3.324 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250891344 377569722 /nfs/dbraw/zinc/56/97/22/377569722.db2.gz XQRCFHRTTBPVFG-ZOBORPQBSA-N 2 1 290.373 3.324 20 0 CGADMP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250895655 377569763 /nfs/dbraw/zinc/56/97/63/377569763.db2.gz YPFMIHBMJPUNSB-MWDXBVQZSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250895655 377569769 /nfs/dbraw/zinc/56/97/69/377569769.db2.gz YPFMIHBMJPUNSB-MWDXBVQZSA-N 2 1 262.441 3.172 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000514803357 249190182 /nfs/dbraw/zinc/19/01/82/249190182.db2.gz YNCHESANVWFUJV-XCDZQEORSA-N 2 1 284.447 3.253 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000250820190 377567989 /nfs/dbraw/zinc/56/79/89/377567989.db2.gz RMXUDRNGZKRTFV-WBVHZDCISA-N 2 1 258.409 3.213 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2cccnc2)C2CC2)c2ccccc21 ZINC000516562444 249236746 /nfs/dbraw/zinc/23/67/46/249236746.db2.gz YSVPEWJWOLLFGE-FGTMMUONSA-N 2 1 279.387 3.267 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000251245519 377579120 /nfs/dbraw/zinc/57/91/20/377579120.db2.gz ROPWWZNYAFSDMY-IHRRRGAJSA-N 2 1 264.438 3.334 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000251207079 377576205 /nfs/dbraw/zinc/57/62/05/377576205.db2.gz LTNVPHFHZILXQG-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000516191879 249228053 /nfs/dbraw/zinc/22/80/53/249228053.db2.gz YJFHNQJSMQNPRT-AWEZNQCLSA-N 2 1 287.407 3.102 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1OC ZINC000251228889 377577723 /nfs/dbraw/zinc/57/77/23/377577723.db2.gz KCPLTAWHQJRSQH-VYDXJSESSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1OC ZINC000251228889 377577729 /nfs/dbraw/zinc/57/77/29/377577729.db2.gz KCPLTAWHQJRSQH-VYDXJSESSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251609979 377590487 /nfs/dbraw/zinc/59/04/87/377590487.db2.gz CZKHMNNQUGZHSU-NCOADZHNSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000564007810 322018133 /nfs/dbraw/zinc/01/81/33/322018133.db2.gz NLEMURSTSUGURM-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000564007810 322018135 /nfs/dbraw/zinc/01/81/35/322018135.db2.gz NLEMURSTSUGURM-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251718221 377596205 /nfs/dbraw/zinc/59/62/05/377596205.db2.gz JTQKTDFPGCLUEF-UHIISALHSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251718221 377596209 /nfs/dbraw/zinc/59/62/09/377596209.db2.gz JTQKTDFPGCLUEF-UHIISALHSA-N 2 1 252.789 3.070 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1 ZINC000518738526 249286258 /nfs/dbraw/zinc/28/62/58/249286258.db2.gz WGBSZNBOGICLJT-DZGCQCFKSA-N 2 1 278.440 3.104 20 0 CGADMP C[C@H]1CCC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251859881 377600601 /nfs/dbraw/zinc/60/06/01/377600601.db2.gz PTMSPQZMIRBYLN-JPIQDLEPSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H]1C ZINC000251922548 377605432 /nfs/dbraw/zinc/60/54/32/377605432.db2.gz USZJQOIFMACWQY-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H]1C ZINC000251922548 377605441 /nfs/dbraw/zinc/60/54/41/377605441.db2.gz USZJQOIFMACWQY-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000252108666 377615344 /nfs/dbraw/zinc/61/53/44/377615344.db2.gz JGPPXRLKEHKQHM-VISVQNLJSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1C ZINC000251996931 377608354 /nfs/dbraw/zinc/60/83/54/377608354.db2.gz ZQUPBDWQWBMYPN-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1C ZINC000251996931 377608363 /nfs/dbraw/zinc/60/83/63/377608363.db2.gz ZQUPBDWQWBMYPN-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC[N@@H+]1C ZINC000252141988 377614759 /nfs/dbraw/zinc/61/47/59/377614759.db2.gz NIOKCKRUWWBRGM-WRQOLXDDSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC[N@H+]1C ZINC000252141988 377614764 /nfs/dbraw/zinc/61/47/64/377614764.db2.gz NIOKCKRUWWBRGM-WRQOLXDDSA-N 2 1 264.457 3.418 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H](C)C1 ZINC000574225123 377636776 /nfs/dbraw/zinc/63/67/76/377636776.db2.gz WBSUKELSBRRLMI-KBPBESRZSA-N 2 1 254.462 3.379 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000252513516 377635584 /nfs/dbraw/zinc/63/55/84/377635584.db2.gz VLXVUKBGONWZNK-KBPBESRZSA-N 2 1 294.826 3.065 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000252513516 377635590 /nfs/dbraw/zinc/63/55/90/377635590.db2.gz VLXVUKBGONWZNK-KBPBESRZSA-N 2 1 294.826 3.065 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000181481784 542218529 /nfs/dbraw/zinc/21/85/29/542218529.db2.gz BBAMROBYKPPTEF-WMLDXEAASA-N 2 1 260.425 3.384 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000252673463 377650819 /nfs/dbraw/zinc/65/08/19/377650819.db2.gz JMJBBAINDXJZFT-MSOLQXFVSA-N 2 1 272.436 3.328 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2cnccc21 ZINC000181522722 542219564 /nfs/dbraw/zinc/21/95/64/542219564.db2.gz WYPSCAAKOWZLCU-CQSZACIVSA-N 2 1 294.402 3.166 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000574506590 377671951 /nfs/dbraw/zinc/67/19/51/377671951.db2.gz OGLBFCVGLGOFIE-XIRDDKMYSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000342695585 377739783 /nfs/dbraw/zinc/73/97/83/377739783.db2.gz BDBYVAZKQRLWEC-CVEARBPZSA-N 2 1 284.488 3.028 20 0 CGADMP CC(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574808728 377710535 /nfs/dbraw/zinc/71/05/35/377710535.db2.gz CWLJIEYOMZLSBX-INIZCTEOSA-N 2 1 258.409 3.182 20 0 CGADMP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574808728 377710539 /nfs/dbraw/zinc/71/05/39/377710539.db2.gz CWLJIEYOMZLSBX-INIZCTEOSA-N 2 1 258.409 3.182 20 0 CGADMP CC(C)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000261564330 377819185 /nfs/dbraw/zinc/81/91/85/377819185.db2.gz HGINADXHGUJKKC-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261573887 377820104 /nfs/dbraw/zinc/82/01/04/377820104.db2.gz AVHPQLNYWFIVQE-QGZVFWFLSA-N 2 1 260.425 3.056 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261703338 377841169 /nfs/dbraw/zinc/84/11/69/377841169.db2.gz IRMNGUIRXXEJMI-AEFFLSMTSA-N 2 1 266.388 3.024 20 0 CGADMP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000261669622 377836670 /nfs/dbraw/zinc/83/66/70/377836670.db2.gz FVQFVWVJWIKJKV-LLVKDONJSA-N 2 1 286.341 3.450 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261660160 377837389 /nfs/dbraw/zinc/83/73/89/377837389.db2.gz DWIYKBBYPUZICZ-OKZBNKHCSA-N 2 1 272.436 3.054 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000258776338 377799275 /nfs/dbraw/zinc/79/92/75/377799275.db2.gz IDPISGFHZXAMDB-UHFFFAOYSA-N 2 1 254.377 3.181 20 0 CGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261686230 377839541 /nfs/dbraw/zinc/83/95/41/377839541.db2.gz ARFNXLKBWQONLF-SJORKVTESA-N 2 1 278.415 3.454 20 0 CGADMP CC(C)([NH3+])C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000261949721 377871463 /nfs/dbraw/zinc/87/14/63/377871463.db2.gz NSYQILYZRYFSSK-SFHVURJKSA-N 2 1 280.415 3.371 20 0 CGADMP CC(C)([NH3+])C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000261949721 377871466 /nfs/dbraw/zinc/87/14/66/377871466.db2.gz NSYQILYZRYFSSK-SFHVURJKSA-N 2 1 280.415 3.371 20 0 CGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261957380 377874020 /nfs/dbraw/zinc/87/40/20/377874020.db2.gz OUDQNOSVFRAZQZ-YOEHRIQHSA-N 2 1 278.415 3.454 20 0 CGADMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000262045907 377882636 /nfs/dbraw/zinc/88/26/36/377882636.db2.gz PQSWGWIRORVEHV-YOEHRIQHSA-N 2 1 276.424 3.078 20 0 CGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@@]1(C)CC[NH2+]C1 ZINC000262141052 377888209 /nfs/dbraw/zinc/88/82/09/377888209.db2.gz ZBLOMWGYMQPOGP-IBGZPJMESA-N 2 1 282.431 3.314 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000262117688 377888886 /nfs/dbraw/zinc/88/88/86/377888886.db2.gz KIEUEACCZNHYLJ-JCGIZDLHSA-N 2 1 295.430 3.102 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000261703050 377842253 /nfs/dbraw/zinc/84/22/53/377842253.db2.gz IFHWQIBDSNGIHL-INIZCTEOSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000261703050 377842258 /nfs/dbraw/zinc/84/22/58/377842258.db2.gz IFHWQIBDSNGIHL-INIZCTEOSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1cccc(Cl)c1 ZINC000261807639 377855838 /nfs/dbraw/zinc/85/58/38/377855838.db2.gz HMQCNRZWODXALF-XTBFLFJDSA-N 2 1 278.827 3.113 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1ccc2ccccc2c1 ZINC000261834687 377859471 /nfs/dbraw/zinc/85/94/71/377859471.db2.gz UYJKQBXGBZHSGO-SFHVURJKSA-N 2 1 270.420 3.345 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]12 ZINC000261866980 377861588 /nfs/dbraw/zinc/86/15/88/377861588.db2.gz YMKSDGSCHZHKMP-CGTJXYLNSA-N 2 1 266.388 3.009 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417295 542231887 /nfs/dbraw/zinc/23/18/87/542231887.db2.gz QZCFFMMUBIETHZ-HKUYNNGSSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417295 542231889 /nfs/dbraw/zinc/23/18/89/542231889.db2.gz QZCFFMMUBIETHZ-HKUYNNGSSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417295 542231892 /nfs/dbraw/zinc/23/18/92/542231892.db2.gz QZCFFMMUBIETHZ-HKUYNNGSSA-N 2 1 295.430 3.151 20 0 CGADMP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000578512323 378076111 /nfs/dbraw/zinc/07/61/11/378076111.db2.gz SYWDHJRUADWJOG-HNNXBMFYSA-N 2 1 299.418 3.211 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCCc1ccsc1)CC2 ZINC000343728084 378077053 /nfs/dbraw/zinc/07/70/53/378077053.db2.gz JKEUPKSEGGDSJT-UHFFFAOYSA-N 2 1 278.465 3.241 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCCc1ccsc1)CC2 ZINC000343728084 378077057 /nfs/dbraw/zinc/07/70/57/378077057.db2.gz JKEUPKSEGGDSJT-UHFFFAOYSA-N 2 1 278.465 3.241 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268799798 378114429 /nfs/dbraw/zinc/11/44/29/378114429.db2.gz JZUNAWVWIHGZOL-CYGHRXIMSA-N 2 1 272.436 3.143 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268799798 378114435 /nfs/dbraw/zinc/11/44/35/378114435.db2.gz JZUNAWVWIHGZOL-CYGHRXIMSA-N 2 1 272.436 3.143 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000268853263 378131939 /nfs/dbraw/zinc/13/19/39/378131939.db2.gz KSQDLJTYLZLENC-OAHLLOKOSA-N 2 1 287.407 3.478 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000268861658 378133947 /nfs/dbraw/zinc/13/39/47/378133947.db2.gz MRHQHLUHGRKLIX-GUYCJALGSA-N 2 1 269.392 3.105 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(CC)c2)C1 ZINC000580082809 378222060 /nfs/dbraw/zinc/22/20/60/378222060.db2.gz UEPNCMVGAWTRCG-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)C2 ZINC000582055507 378281423 /nfs/dbraw/zinc/28/14/23/378281423.db2.gz PLODKEJYMGTQFD-HXUWFJFHSA-N 2 1 298.474 3.352 20 0 CGADMP CCC1CC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000582172484 378289689 /nfs/dbraw/zinc/28/96/89/378289689.db2.gz WPMBGXCSQGGARB-BCLQGDPASA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(C)c1 ZINC000582412735 378310480 /nfs/dbraw/zinc/31/04/80/378310480.db2.gz IMSRLRGMRKEFJN-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000582412735 378310486 /nfs/dbraw/zinc/31/04/86/378310486.db2.gz IMSRLRGMRKEFJN-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000582412735 378310491 /nfs/dbraw/zinc/31/04/91/378310491.db2.gz IMSRLRGMRKEFJN-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(C)c1 ZINC000582412735 378310496 /nfs/dbraw/zinc/31/04/96/378310496.db2.gz IMSRLRGMRKEFJN-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(C)c1 ZINC000582412735 378310502 /nfs/dbraw/zinc/31/05/02/378310502.db2.gz IMSRLRGMRKEFJN-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1C ZINC000583508076 378327336 /nfs/dbraw/zinc/32/73/36/378327336.db2.gz ZNXVFTOUSMCHGG-CABCVRRESA-N 2 1 278.465 3.207 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(Cl)ccc2F)C1 ZINC000583591844 378333539 /nfs/dbraw/zinc/33/35/39/378333539.db2.gz ILJMLLWRCVFPHZ-WBMJQRKESA-N 2 1 296.817 3.395 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Cl)ccc2F)C1 ZINC000583591843 378334222 /nfs/dbraw/zinc/33/42/22/378334222.db2.gz ILJMLLWRCVFPHZ-MLGOLLRUSA-N 2 1 296.817 3.395 20 0 CGADMP Cc1nccn1CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000270852647 378405735 /nfs/dbraw/zinc/40/57/35/378405735.db2.gz IHCQGXWLMSMKNA-UHFFFAOYSA-N 2 1 277.799 3.019 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000270852647 378405738 /nfs/dbraw/zinc/40/57/38/378405738.db2.gz IHCQGXWLMSMKNA-UHFFFAOYSA-N 2 1 277.799 3.019 20 0 CGADMP Cc1nccn1CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000270858004 378406335 /nfs/dbraw/zinc/40/63/35/378406335.db2.gz RBDQNIVMBUZQQP-UHFFFAOYSA-N 2 1 285.366 3.120 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000271954407 378528488 /nfs/dbraw/zinc/52/84/88/378528488.db2.gz FGSMMDYRDKSPNI-UHFFFAOYSA-N 2 1 272.436 3.181 20 0 CGADMP C[C@@H]([NH2+]Cc1cc[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134336 378569248 /nfs/dbraw/zinc/56/92/48/378569248.db2.gz AAXHNMYZLOSNDT-CRAIPNDOSA-N 2 1 283.419 3.015 20 0 CGADMP CC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274801 378602010 /nfs/dbraw/zinc/60/20/10/378602010.db2.gz CBBNOPOLDQCUSE-ZMSDIMECSA-N 2 1 260.425 3.285 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346677824 378672675 /nfs/dbraw/zinc/67/26/75/378672675.db2.gz LREPEBPZDHRRLS-OLZOCXBDSA-N 2 1 272.392 3.164 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000346694494 378678756 /nfs/dbraw/zinc/67/87/56/378678756.db2.gz UPHZHQVIVWSQIW-DWTRPJMMSA-N 2 1 282.378 3.283 20 0 CGADMP C[N@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000272672224 378686323 /nfs/dbraw/zinc/68/63/23/378686323.db2.gz TYTDTLUOSRSROU-LJQANCHMSA-N 2 1 293.414 3.023 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000272672224 378686330 /nfs/dbraw/zinc/68/63/30/378686330.db2.gz TYTDTLUOSRSROU-LJQANCHMSA-N 2 1 293.414 3.023 20 0 CGADMP CC[C@@H](C)[C@@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC000637957879 378646224 /nfs/dbraw/zinc/64/62/24/378646224.db2.gz KTFZWQOKZRINBC-NVXWUHKLSA-N 2 1 284.488 3.100 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000347959692 378739984 /nfs/dbraw/zinc/73/99/84/378739984.db2.gz MIIXXRIXMWAUCS-KBPBESRZSA-N 2 1 263.429 3.386 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2OC)C[C@@H]1C ZINC000638110722 378702107 /nfs/dbraw/zinc/70/21/07/378702107.db2.gz OZJIVPDOLHPRMV-HOTGVXAUSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2OC)C[C@@H]1C ZINC000638110722 378702115 /nfs/dbraw/zinc/70/21/15/378702115.db2.gz OZJIVPDOLHPRMV-HOTGVXAUSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2OC)C[C@@H]1C ZINC000638110722 378702119 /nfs/dbraw/zinc/70/21/19/378702119.db2.gz OZJIVPDOLHPRMV-HOTGVXAUSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2OC)C[C@@H]1C ZINC000638110722 378702122 /nfs/dbraw/zinc/70/21/22/378702122.db2.gz OZJIVPDOLHPRMV-HOTGVXAUSA-N 2 1 290.451 3.308 20 0 CGADMP Cc1scc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000638116235 378704919 /nfs/dbraw/zinc/70/49/19/378704919.db2.gz IQBQZUULTHXHAQ-ABAIWWIYSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000638116235 378704926 /nfs/dbraw/zinc/70/49/26/378704926.db2.gz IQBQZUULTHXHAQ-ABAIWWIYSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000638116235 378704933 /nfs/dbraw/zinc/70/49/33/378704933.db2.gz IQBQZUULTHXHAQ-ABAIWWIYSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000638116235 378704940 /nfs/dbraw/zinc/70/49/40/378704940.db2.gz IQBQZUULTHXHAQ-ABAIWWIYSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1ccccc1C1CC([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000272823150 378710134 /nfs/dbraw/zinc/71/01/34/378710134.db2.gz CVQAQKNVXSYNES-UHFFFAOYSA-N 2 1 270.420 3.093 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181254 378725073 /nfs/dbraw/zinc/72/50/73/378725073.db2.gz YGHZXAQKFORIDT-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181254 378725081 /nfs/dbraw/zinc/72/50/81/378725081.db2.gz YGHZXAQKFORIDT-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181254 378725090 /nfs/dbraw/zinc/72/50/90/378725090.db2.gz YGHZXAQKFORIDT-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[N@H+](CCC[NH2+]Cc1cccc(F)c1N)C1CCCCC1 ZINC000638301925 378761462 /nfs/dbraw/zinc/76/14/62/378761462.db2.gz QSIODFJGEIZRQM-UHFFFAOYSA-N 2 1 293.430 3.152 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1cccc(F)c1N)C1CCCCC1 ZINC000638301925 378761469 /nfs/dbraw/zinc/76/14/69/378761469.db2.gz QSIODFJGEIZRQM-UHFFFAOYSA-N 2 1 293.430 3.152 20 0 CGADMP C[C@@]1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000638360588 378778205 /nfs/dbraw/zinc/77/82/05/378778205.db2.gz WSSGRIUIMBAYBV-SNRMKQJTSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000638366470 378780436 /nfs/dbraw/zinc/78/04/36/378780436.db2.gz PFGHEIXZGGHXPB-KFWWJZLASA-N 2 1 270.486 3.125 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)sn1 ZINC000638366559 378781480 /nfs/dbraw/zinc/78/14/80/378781480.db2.gz OICWUKCTMNOLLY-CYBMUJFWSA-N 2 1 281.469 3.053 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000638371309 378782662 /nfs/dbraw/zinc/78/26/62/378782662.db2.gz QOLGWUZMUINCNF-QKPAOTATSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784740 218012975 /nfs/dbraw/zinc/01/29/75/218012975.db2.gz YJGSQYBONIURLL-LBTNJELSSA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784740 218012976 /nfs/dbraw/zinc/01/29/76/218012976.db2.gz YJGSQYBONIURLL-LBTNJELSSA-N 2 1 283.419 3.053 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000274395236 378824884 /nfs/dbraw/zinc/82/48/84/378824884.db2.gz DJOOWKKILDJYNH-AWEZNQCLSA-N 2 1 294.414 3.276 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1C ZINC000346847422 218034847 /nfs/dbraw/zinc/03/48/47/218034847.db2.gz MLSDWCBPKVOTTF-AEFFLSMTSA-N 2 1 272.436 3.440 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348249173 378864660 /nfs/dbraw/zinc/86/46/60/378864660.db2.gz UTMVYOBHTQCNKS-IAGOWNOFSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000348251882 378866042 /nfs/dbraw/zinc/86/60/42/378866042.db2.gz ZYEMWWGDXLAKFK-KSZLIROESA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000348267069 378875160 /nfs/dbraw/zinc/87/51/60/378875160.db2.gz ZKSWDBKWSGDRRM-KBAYOESNSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347014897 218092104 /nfs/dbraw/zinc/09/21/04/218092104.db2.gz ANLJHDGWHHASJW-DNVCBOLYSA-N 2 1 295.430 3.450 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347014897 218092106 /nfs/dbraw/zinc/09/21/06/218092106.db2.gz ANLJHDGWHHASJW-DNVCBOLYSA-N 2 1 295.430 3.450 20 0 CGADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000347040219 218101986 /nfs/dbraw/zinc/10/19/86/218101986.db2.gz HUUZSHBNEQWRCL-CYBMUJFWSA-N 2 1 290.407 3.335 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000347040219 218101988 /nfs/dbraw/zinc/10/19/88/218101988.db2.gz HUUZSHBNEQWRCL-CYBMUJFWSA-N 2 1 290.407 3.335 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348434939 378953368 /nfs/dbraw/zinc/95/33/68/378953368.db2.gz WLNLEIQGYKYMMR-DZOHQFGASA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1[NH3+] ZINC000347059484 218108576 /nfs/dbraw/zinc/10/85/76/218108576.db2.gz XERDJPRNMRBOCX-PBHICJAKSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1[NH3+] ZINC000347059484 218108578 /nfs/dbraw/zinc/10/85/78/218108578.db2.gz XERDJPRNMRBOCX-PBHICJAKSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1Cl ZINC000276621954 378968995 /nfs/dbraw/zinc/96/89/95/378968995.db2.gz ICZACSACYDYCFP-SNVBAGLBSA-N 2 1 281.762 3.106 20 0 CGADMP Cc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370132011 378986665 /nfs/dbraw/zinc/98/66/65/378986665.db2.gz MLEQKTYETREVRD-UHFFFAOYSA-N 2 1 258.409 3.102 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495556 379024293 /nfs/dbraw/zinc/02/42/93/379024293.db2.gz YYDJKCLQJGFDJT-FUHWJXTLSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495556 379024299 /nfs/dbraw/zinc/02/42/99/379024299.db2.gz YYDJKCLQJGFDJT-FUHWJXTLSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495556 379024305 /nfs/dbraw/zinc/02/43/05/379024305.db2.gz YYDJKCLQJGFDJT-FUHWJXTLSA-N 2 1 288.435 3.014 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000276977515 379035301 /nfs/dbraw/zinc/03/53/01/379035301.db2.gz YPEUTLDDBSSHOV-OAHLLOKOSA-N 2 1 275.440 3.163 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)CC[N@H+]1C ZINC000370619738 379038754 /nfs/dbraw/zinc/03/87/54/379038754.db2.gz FIWIHXCGOVMAEG-KXBFYZLASA-N 2 1 295.430 3.321 20 0 CGADMP CC[N@@H+](CCC[C@H]1CCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000639171609 379092884 /nfs/dbraw/zinc/09/28/84/379092884.db2.gz XSKLWXGTCFAUSC-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000371258509 379129854 /nfs/dbraw/zinc/12/98/54/379129854.db2.gz OKQSURLHMUWCHT-UHFFFAOYSA-N 2 1 291.439 3.007 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000371258509 379129863 /nfs/dbraw/zinc/12/98/63/379129863.db2.gz OKQSURLHMUWCHT-UHFFFAOYSA-N 2 1 291.439 3.007 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCC2)C3)cc1 ZINC000278803831 194161628 /nfs/dbraw/zinc/16/16/28/194161628.db2.gz RIUJZKOEOMNHRL-NNZMDNLPSA-N 2 1 270.420 3.324 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCCC(F)(F)C1)CC[NH2+]CC2 ZINC000335275780 296294534 /nfs/dbraw/zinc/29/45/34/296294534.db2.gz DFWIADPGLBRAHU-KGLIPLIRSA-N 2 1 286.410 3.276 20 0 CGADMP CC(C)C1(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000639287334 379233074 /nfs/dbraw/zinc/23/30/74/379233074.db2.gz ZJHHYVYURISZMR-MSOLQXFVSA-N 2 1 286.463 3.358 20 0 CGADMP CC[N@@H+](C/C=C/c1ccc(F)cc1F)CCC[NH+](C)C ZINC000349417767 379275985 /nfs/dbraw/zinc/27/59/85/379275985.db2.gz MUXCITRVVMOJPT-FNORWQNLSA-N 2 1 282.378 3.252 20 0 CGADMP CC[N@H+](C/C=C/c1ccc(F)cc1F)CCC[NH+](C)C ZINC000349417767 379275995 /nfs/dbraw/zinc/27/59/95/379275995.db2.gz MUXCITRVVMOJPT-FNORWQNLSA-N 2 1 282.378 3.252 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000639374890 379331100 /nfs/dbraw/zinc/33/11/00/379331100.db2.gz MLWMUOKCTLUMNK-UHFFFAOYSA-N 2 1 258.409 3.137 20 0 CGADMP C[C@@H](CC[NH2+]C[C@@H]1CCSC1)[N@@H+](C)Cc1ccccc1 ZINC000278319039 379346050 /nfs/dbraw/zinc/34/60/50/379346050.db2.gz DSQVDQWUXIXTCS-RDJZCZTQSA-N 2 1 292.492 3.240 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)cc(C)nc2C)C1 ZINC000639504767 379439819 /nfs/dbraw/zinc/43/98/19/379439819.db2.gz BAQZMTAIGVLCBR-KRWDZBQOSA-N 2 1 289.467 3.171 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C)nc2C)C1 ZINC000639504767 379439832 /nfs/dbraw/zinc/43/98/32/379439832.db2.gz BAQZMTAIGVLCBR-KRWDZBQOSA-N 2 1 289.467 3.171 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C)nc2C)C1 ZINC000639504767 379439840 /nfs/dbraw/zinc/43/98/40/379439840.db2.gz BAQZMTAIGVLCBR-KRWDZBQOSA-N 2 1 289.467 3.171 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639504767 379439848 /nfs/dbraw/zinc/43/98/48/379439848.db2.gz BAQZMTAIGVLCBR-KRWDZBQOSA-N 2 1 289.467 3.171 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639504767 379439854 /nfs/dbraw/zinc/43/98/54/379439854.db2.gz BAQZMTAIGVLCBR-KRWDZBQOSA-N 2 1 289.467 3.171 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c(C)n1 ZINC000639720088 379560182 /nfs/dbraw/zinc/56/01/82/379560182.db2.gz USJDNURAZPBCDI-MRXNPFEDSA-N 2 1 276.424 3.396 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000639756223 379570448 /nfs/dbraw/zinc/57/04/48/379570448.db2.gz RUWMEWSFVOHBAV-UHFFFAOYSA-N 2 1 278.827 3.258 20 0 CGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)s1 ZINC000639756584 379570544 /nfs/dbraw/zinc/57/05/44/379570544.db2.gz XOKXRZJUWOPCPS-UHFFFAOYSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758026 379571601 /nfs/dbraw/zinc/57/16/01/379571601.db2.gz ONVWLEIQBAOGIW-INIZCTEOSA-N 2 1 272.436 3.474 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4ncccc34)C2)CC1 ZINC000639758848 379571680 /nfs/dbraw/zinc/57/16/80/379571680.db2.gz YFJBXHAVTQXVBJ-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(SC)cc2)[C@H](C)C1 ZINC000280793675 379790635 /nfs/dbraw/zinc/79/06/35/379790635.db2.gz JVMVDENFIHFKBT-RHSMWYFYSA-N 2 1 292.492 3.271 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000280815554 379797597 /nfs/dbraw/zinc/79/75/97/379797597.db2.gz MQISVUWMNVEFET-QIJZBDPFSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC[N@H+]1C ZINC000280815554 379797602 /nfs/dbraw/zinc/79/76/02/379797602.db2.gz MQISVUWMNVEFET-QIJZBDPFSA-N 2 1 276.399 3.144 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(C)c2)CC1 ZINC000352310312 379762020 /nfs/dbraw/zinc/76/20/20/379762020.db2.gz IRBOOACNFIZHNI-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CC(C)OCC[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000267420551 190329595 /nfs/dbraw/zinc/32/95/95/190329595.db2.gz UNQJWCSLCPXGRJ-UHFFFAOYSA-N 2 1 297.830 3.036 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352568002 379860958 /nfs/dbraw/zinc/86/09/58/379860958.db2.gz SFQLQMRFMHRVKP-GTPINHCMSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ncccc1Cl ZINC000640533391 379818940 /nfs/dbraw/zinc/81/89/40/379818940.db2.gz HMICQQIYOFHDOS-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ncccc1Cl ZINC000640533391 379818944 /nfs/dbraw/zinc/81/89/44/379818944.db2.gz HMICQQIYOFHDOS-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP Cc1ncc(C[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000640532058 379819650 /nfs/dbraw/zinc/81/96/50/379819650.db2.gz UWAVFWUZLHCULC-UHFFFAOYSA-N 2 1 281.469 3.149 20 0 CGADMP CC(C)C1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000382102032 379871614 /nfs/dbraw/zinc/87/16/14/379871614.db2.gz PAYJXPFVOIOTGX-CGZBRXJRSA-N 2 1 266.473 3.380 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398167654 379928317 /nfs/dbraw/zinc/92/83/17/379928317.db2.gz HGAPJXULFHTXNB-FZCLSBEQSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398167654 379928320 /nfs/dbraw/zinc/92/83/20/379928320.db2.gz HGAPJXULFHTXNB-FZCLSBEQSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccn(C)c2)C1 ZINC000352795779 379966439 /nfs/dbraw/zinc/96/64/39/379966439.db2.gz FLKDCOKSIFKATJ-IRXDYDNUSA-N 2 1 289.467 3.112 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccn(C)c2)C1 ZINC000352795779 379966444 /nfs/dbraw/zinc/96/64/44/379966444.db2.gz FLKDCOKSIFKATJ-IRXDYDNUSA-N 2 1 289.467 3.112 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000352795779 379966450 /nfs/dbraw/zinc/96/64/50/379966450.db2.gz FLKDCOKSIFKATJ-IRXDYDNUSA-N 2 1 289.467 3.112 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000352795779 379966457 /nfs/dbraw/zinc/96/64/57/379966457.db2.gz FLKDCOKSIFKATJ-IRXDYDNUSA-N 2 1 289.467 3.112 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000282720351 379975692 /nfs/dbraw/zinc/97/56/92/379975692.db2.gz RQXQKOKGCQBFRF-LBPRGKRZSA-N 2 1 277.799 3.066 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C)cc1 ZINC000401752905 379958565 /nfs/dbraw/zinc/95/85/65/379958565.db2.gz YZWPBIBCDNYOFM-INIZCTEOSA-N 2 1 257.381 3.012 20 0 CGADMP CCCc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401877963 379958765 /nfs/dbraw/zinc/95/87/65/379958765.db2.gz OTTVDWNWMWAPBG-CQSZACIVSA-N 2 1 271.408 3.266 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)C1CC1 ZINC000352840545 379997255 /nfs/dbraw/zinc/99/72/55/379997255.db2.gz NPMLNVTYBYPXIR-INIZCTEOSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)c1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000352855776 380007782 /nfs/dbraw/zinc/00/77/82/380007782.db2.gz ZWGDYPQFNAYSCF-UHFFFAOYSA-N 2 1 290.436 3.369 20 0 CGADMP CCCOc1cccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000352929541 380043908 /nfs/dbraw/zinc/04/39/08/380043908.db2.gz GYOMPJOIVJTTOE-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000352929541 380043911 /nfs/dbraw/zinc/04/39/11/380043911.db2.gz GYOMPJOIVJTTOE-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000284153331 380131363 /nfs/dbraw/zinc/13/13/63/380131363.db2.gz DRJNYLJWMJGNPD-QGZVFWFLSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2n[nH]cc2c1 ZINC000353199553 380163104 /nfs/dbraw/zinc/16/31/04/380163104.db2.gz JQFZCBSHTMDWFU-XJKSGUPXSA-N 2 1 286.423 3.088 20 0 CGADMP CN(c1cc[nH+]c2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286282007 380187266 /nfs/dbraw/zinc/18/72/66/380187266.db2.gz GZKYPBLHVDBXQU-YIONKMFJSA-N 2 1 281.403 3.296 20 0 CGADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414171128 380197449 /nfs/dbraw/zinc/19/74/49/380197449.db2.gz CQTYOJLYNBBZTQ-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000414197366 380201676 /nfs/dbraw/zinc/20/16/76/380201676.db2.gz WHTCRDOXEVCLDW-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000414199931 380202294 /nfs/dbraw/zinc/20/22/94/380202294.db2.gz XBVUEVPIVVOKOJ-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000353945129 380248261 /nfs/dbraw/zinc/24/82/61/380248261.db2.gz NLUJFIKZVNQVLR-IRXDYDNUSA-N 2 1 289.467 3.175 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)cn1 ZINC000353945129 380248264 /nfs/dbraw/zinc/24/82/64/380248264.db2.gz NLUJFIKZVNQVLR-IRXDYDNUSA-N 2 1 289.467 3.175 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)CC(F)(F)F ZINC000414275057 380207410 /nfs/dbraw/zinc/20/74/10/380207410.db2.gz VXHKXYXPNRQFQI-RVMXOQNASA-N 2 1 278.362 3.037 20 0 CGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000643501816 380324513 /nfs/dbraw/zinc/32/45/13/380324513.db2.gz QFZMJDLWTRLHGF-GVDBMIGSSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)C[C@@H](c2ccccc2)C1 ZINC000643506900 380328583 /nfs/dbraw/zinc/32/85/83/380328583.db2.gz MBKQVHXFTMKNDK-QILLFSRXSA-N 2 1 272.436 3.300 20 0 CGADMP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000414613130 380334695 /nfs/dbraw/zinc/33/46/95/380334695.db2.gz FKQNKINJXCRFFP-ZIAGYGMSSA-N 2 1 292.427 3.195 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643548921 380364666 /nfs/dbraw/zinc/36/46/66/380364666.db2.gz XNUKKUURVMHMRF-GDBMZVCRSA-N 2 1 273.424 3.187 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2nc3ccccc3s2)CC[NH2+]1 ZINC000414685074 380372742 /nfs/dbraw/zinc/37/27/42/380372742.db2.gz XSEYLJVSWHYAQC-STQMWFEESA-N 2 1 289.448 3.116 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414690364 380377336 /nfs/dbraw/zinc/37/73/36/380377336.db2.gz AMJMXKZAZBXZJH-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCC[NH3+] ZINC000414707504 380380995 /nfs/dbraw/zinc/38/09/95/380380995.db2.gz ODUJRJUVOVCPFN-VXGBXAGGSA-N 2 1 254.805 3.113 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414705661 380381495 /nfs/dbraw/zinc/38/14/95/380381495.db2.gz LQRHLWUCBXWMJK-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC000414732317 380389399 /nfs/dbraw/zinc/38/93/99/380389399.db2.gz BJSORXNBFACEEY-YPMHNXCESA-N 2 1 284.806 3.299 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000643886608 380391982 /nfs/dbraw/zinc/39/19/82/380391982.db2.gz ISTMZPUFQMDMME-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3[nH]ccc3c2)CC[N@H+]1C ZINC000643886608 380391989 /nfs/dbraw/zinc/39/19/89/380391989.db2.gz ISTMZPUFQMDMME-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3[nH]ccc3c2)CC[NH+]1C ZINC000643886608 380391997 /nfs/dbraw/zinc/39/19/97/380391997.db2.gz ISTMZPUFQMDMME-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3[nH]ccc3c2)CC[NH+]1C ZINC000643886608 380392003 /nfs/dbraw/zinc/39/20/03/380392003.db2.gz ISTMZPUFQMDMME-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000643524359 380340158 /nfs/dbraw/zinc/34/01/58/380340158.db2.gz MDIRVHCRMCJRLH-IMJJTQAJSA-N 2 1 298.434 3.008 20 0 CGADMP CCCc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414766684 380394990 /nfs/dbraw/zinc/39/49/90/380394990.db2.gz IJCPDTARUHKNNK-HDICACEKSA-N 2 1 272.436 3.071 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cn1 ZINC000643547298 380361167 /nfs/dbraw/zinc/36/11/67/380361167.db2.gz CMUHLQAEXDJBPP-HOCLYGCPSA-N 2 1 291.414 3.182 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643547205 380361457 /nfs/dbraw/zinc/36/14/57/380361457.db2.gz AZVZHRLVSQMFOD-WBVHZDCISA-N 2 1 287.451 3.433 20 0 CGADMP CC(C)C[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000414812827 380423791 /nfs/dbraw/zinc/42/37/91/380423791.db2.gz PQUJQYGTYMKFOH-DLBZAZTESA-N 2 1 260.425 3.143 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414811622 380423837 /nfs/dbraw/zinc/42/38/37/380423837.db2.gz PYYRSBIYKNGFDG-UHFFFAOYSA-N 2 1 276.424 3.083 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000414813556 380424360 /nfs/dbraw/zinc/42/43/60/380424360.db2.gz MPENDXHVDCXYTN-ZFWWWQNUSA-N 2 1 296.430 3.120 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414855571 380456963 /nfs/dbraw/zinc/45/69/63/380456963.db2.gz XBJAOPJPWNFGBY-ZFWWWQNUSA-N 2 1 280.481 3.303 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414815219 380425780 /nfs/dbraw/zinc/42/57/80/380425780.db2.gz SZMDOJHOADLPGY-JOYOIKCWSA-N 2 1 272.845 3.050 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414816764 380427698 /nfs/dbraw/zinc/42/76/98/380427698.db2.gz QLTZVNFVWHREEV-BBRMVZONSA-N 2 1 266.404 3.254 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414821379 380431685 /nfs/dbraw/zinc/43/16/85/380431685.db2.gz CBMWGARTKLZFBE-QWRGUYRKSA-N 2 1 272.845 3.064 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414821011 380431722 /nfs/dbraw/zinc/43/17/22/380431722.db2.gz BMQZJEIUNIRVRK-HIFRSBDPSA-N 2 1 266.816 3.175 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCSCc1ccccc1)C1CCCCC1 ZINC000414832831 380441578 /nfs/dbraw/zinc/44/15/78/380441578.db2.gz DZBBWYFCUGFUMX-KRWDZBQOSA-N 2 1 292.492 3.417 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)CC3 ZINC000414853710 380455343 /nfs/dbraw/zinc/45/53/43/380455343.db2.gz SUTCOXRKBXQZKW-LSDHHAIUSA-N 2 1 299.462 3.297 20 0 CGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414772788 380398900 /nfs/dbraw/zinc/39/89/00/380398900.db2.gz CLCUYRAIVLYIOK-ZIAGYGMSSA-N 2 1 296.817 3.301 20 0 CGADMP Fc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414787120 380404578 /nfs/dbraw/zinc/40/45/78/380404578.db2.gz UZBQISAJHLZWRH-ZIAGYGMSSA-N 2 1 296.817 3.301 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789643 380406520 /nfs/dbraw/zinc/40/65/20/380406520.db2.gz YJSWMRGGIVTAAA-KGLIPLIRSA-N 2 1 278.827 3.162 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000414800122 380413077 /nfs/dbraw/zinc/41/30/77/380413077.db2.gz KTMHETDOUJOBHJ-HNNXBMFYSA-N 2 1 290.407 3.381 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414800896 380413186 /nfs/dbraw/zinc/41/31/86/380413186.db2.gz GGDUGNDHNQEUTH-BBRMVZONSA-N 2 1 260.425 3.070 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000414802484 380414679 /nfs/dbraw/zinc/41/46/79/380414679.db2.gz IBODVRWPCAJEIA-DLBZAZTESA-N 2 1 282.472 3.092 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000414802485 380414734 /nfs/dbraw/zinc/41/47/34/380414734.db2.gz IBODVRWPCAJEIA-IAGOWNOFSA-N 2 1 282.472 3.092 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414811188 380422627 /nfs/dbraw/zinc/42/26/27/380422627.db2.gz PBBAVVDLBLEVLU-UHFFFAOYSA-N 2 1 295.477 3.479 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414935222 380495842 /nfs/dbraw/zinc/49/58/42/380495842.db2.gz AZWMAGYWCLCKLL-BLLLJJGKSA-N 2 1 288.366 3.173 20 0 CGADMP CC[C@H](C[NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000414873189 380468947 /nfs/dbraw/zinc/46/89/47/380468947.db2.gz GUBKRXWCVXHXDG-GOSISDBHSA-N 2 1 297.446 3.345 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414876897 380469951 /nfs/dbraw/zinc/46/99/51/380469951.db2.gz WSXHSZIPPIQXMP-JKSUJKDBSA-N 2 1 264.388 3.051 20 0 CGADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414880683 380472816 /nfs/dbraw/zinc/47/28/16/380472816.db2.gz KJEGHTPUIGQNGT-SZMVWBNQSA-N 2 1 288.435 3.061 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000414890944 380475739 /nfs/dbraw/zinc/47/57/39/380475739.db2.gz VTZONDFOVVMCTJ-IKGGRYGDSA-N 2 1 258.409 3.054 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(C)c1 ZINC000355117699 380582199 /nfs/dbraw/zinc/58/21/99/380582199.db2.gz UPRJTJYRTOXSJK-SJORKVTESA-N 2 1 288.435 3.062 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417330765 380594627 /nfs/dbraw/zinc/59/46/27/380594627.db2.gz VMLVTRBCOPNASE-DARAHFNDSA-N 2 1 290.476 3.314 20 0 CGADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CC1(C)C ZINC000417332309 380596249 /nfs/dbraw/zinc/59/62/49/380596249.db2.gz XALASJDPXGFALL-LSDHHAIUSA-N 2 1 263.429 3.386 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417333768 380596494 /nfs/dbraw/zinc/59/64/94/380596494.db2.gz ZAPSXKPVYPQOBS-AEGPPILISA-N 2 1 278.465 3.314 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000355521259 380697278 /nfs/dbraw/zinc/69/72/78/380697278.db2.gz YCMLMHFTZNQVGV-CQSZACIVSA-N 2 1 298.434 3.444 20 0 CGADMP C[C@H]([NH2+]CC1=CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000645854117 380753130 /nfs/dbraw/zinc/75/31/30/380753130.db2.gz VKTYLXRARXIWEA-GOEBONIOSA-N 2 1 262.441 3.339 20 0 CGADMP C[N@H+](CCSc1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000355745994 380766900 /nfs/dbraw/zinc/76/69/00/380766900.db2.gz GXWLGSJIMQUREU-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP C[N@@H+](CCSc1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000355745994 380766906 /nfs/dbraw/zinc/76/69/06/380766906.db2.gz GXWLGSJIMQUREU-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP C[NH+](CCSc1ccccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000355745994 380766912 /nfs/dbraw/zinc/76/69/12/380766912.db2.gz GXWLGSJIMQUREU-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP C[NH+](CCSc1ccccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355745994 380766915 /nfs/dbraw/zinc/76/69/15/380766915.db2.gz GXWLGSJIMQUREU-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP CC[C@@H](C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1)OC ZINC000419227501 380783512 /nfs/dbraw/zinc/78/35/12/380783512.db2.gz KOHJNQBGLDQCOJ-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP COCCCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000419382773 380824239 /nfs/dbraw/zinc/82/42/39/380824239.db2.gz IEBACSOLKWEUFI-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP COc1ccccc1C1([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000646001185 380795535 /nfs/dbraw/zinc/79/55/35/380795535.db2.gz IPFNLNDLKVBKHX-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000420315077 380849343 /nfs/dbraw/zinc/84/93/43/380849343.db2.gz ZOFJTNTUTWCVAO-JKIFEVAISA-N 2 1 276.399 3.208 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)CC[N@@H+]1C ZINC000356840447 380896690 /nfs/dbraw/zinc/89/66/90/380896690.db2.gz JFXKECLLNDFTFY-OJLVUWQFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)CC[N@H+]1C ZINC000356840447 380896700 /nfs/dbraw/zinc/89/67/00/380896700.db2.gz JFXKECLLNDFTFY-OJLVUWQFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](C1CCC1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)C1CCC1 ZINC000357027908 380997939 /nfs/dbraw/zinc/99/79/39/380997939.db2.gz UDDFQNQDQUTEHG-HOTGVXAUSA-N 2 1 296.499 3.244 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358409654 381310463 /nfs/dbraw/zinc/31/04/63/381310463.db2.gz WTUQQCQLGXQRGF-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000360037784 381420297 /nfs/dbraw/zinc/42/02/97/381420297.db2.gz LHCWQPKWCVOEIQ-GOSISDBHSA-N 2 1 290.451 3.012 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C(C)C ZINC000360973585 381639698 /nfs/dbraw/zinc/63/96/98/381639698.db2.gz KNSIQFAOFYRYGT-KZNAEPCWSA-N 2 1 296.499 3.290 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000361397947 381731158 /nfs/dbraw/zinc/73/11/58/381731158.db2.gz ZOJFFAMYRPJRIB-KSZLIROESA-N 2 1 272.436 3.206 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361591452 381822507 /nfs/dbraw/zinc/82/25/07/381822507.db2.gz NMFHETJXFLMROT-CHWSQXEVSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361591452 381822511 /nfs/dbraw/zinc/82/25/11/381822511.db2.gz NMFHETJXFLMROT-CHWSQXEVSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361598927 381829058 /nfs/dbraw/zinc/82/90/58/381829058.db2.gz AVRWVZHPGKZLNW-UHFFFAOYSA-N 2 1 269.392 3.296 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccc(C)cc2C1 ZINC000361598927 381829062 /nfs/dbraw/zinc/82/90/62/381829062.db2.gz AVRWVZHPGKZLNW-UHFFFAOYSA-N 2 1 269.392 3.296 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](CC1CC1)CC1CCC1 ZINC000361571280 381811262 /nfs/dbraw/zinc/81/12/62/381811262.db2.gz JJERSLDMWCFXQE-UHFFFAOYSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC1CC1)CC1CCC1 ZINC000361571280 381811267 /nfs/dbraw/zinc/81/12/67/381811267.db2.gz JJERSLDMWCFXQE-UHFFFAOYSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361768449 381868708 /nfs/dbraw/zinc/86/87/08/381868708.db2.gz YWTMBXMMGWQCCC-UXLLHSPISA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361768449 381868713 /nfs/dbraw/zinc/86/87/13/381868713.db2.gz YWTMBXMMGWQCCC-UXLLHSPISA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@H]3[C@H](C)[NH3+])ccc2n1 ZINC000228688610 542298908 /nfs/dbraw/zinc/29/89/08/542298908.db2.gz IEXFPVWMDZTJFU-KSSFIOAISA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCCC[C@H]3[C@H](C)[NH3+])ccc2n1 ZINC000228688610 542298909 /nfs/dbraw/zinc/29/89/09/542298909.db2.gz IEXFPVWMDZTJFU-KSSFIOAISA-N 2 1 283.419 3.245 20 0 CGADMP c1cncc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)c1 ZINC000366460796 382309258 /nfs/dbraw/zinc/30/92/58/382309258.db2.gz JKASOHKHTJRTJX-RCCFBDPRSA-N 2 1 285.435 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(OC(C)C)CC2)[C@@H](C)C1 ZINC000246276098 542326259 /nfs/dbraw/zinc/32/62/59/542326259.db2.gz BBZPAMSEHYFUCN-OTBWCIGPSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+](CCC[NH2+][C@@H]1CCCc2n[nH]cc21)C1CCCCC1 ZINC000367599192 382350710 /nfs/dbraw/zinc/35/07/10/382350710.db2.gz GYAQTVFOUOYIIB-MRXNPFEDSA-N 2 1 290.455 3.031 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCCc2n[nH]cc21)C1CCCCC1 ZINC000367599192 382350713 /nfs/dbraw/zinc/35/07/13/382350713.db2.gz GYAQTVFOUOYIIB-MRXNPFEDSA-N 2 1 290.455 3.031 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250086187 542341727 /nfs/dbraw/zinc/34/17/27/542341727.db2.gz PDGCQNAVCBGRLN-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250086187 542341730 /nfs/dbraw/zinc/34/17/30/542341730.db2.gz PDGCQNAVCBGRLN-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250083825 542341832 /nfs/dbraw/zinc/34/18/32/542341832.db2.gz MTTICUFBTUKLTO-SJORKVTESA-N 2 1 270.420 3.280 20 0 CGADMP C[C@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252109446 542348991 /nfs/dbraw/zinc/34/89/91/542348991.db2.gz HODKBWUAIDWBKG-NIOBXDJOSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000335253063 208033333 /nfs/dbraw/zinc/03/33/33/208033333.db2.gz GPNXRQGHFNALKN-UKRRQHHQSA-N 2 1 285.435 3.357 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1C ZINC000335253063 208033340 /nfs/dbraw/zinc/03/33/40/208033340.db2.gz GPNXRQGHFNALKN-UKRRQHHQSA-N 2 1 285.435 3.357 20 0 CGADMP C[C@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC[C@H]1[NH3+] ZINC000335335054 208216320 /nfs/dbraw/zinc/21/63/20/208216320.db2.gz MNLGAJDDSQSHIS-GXFFZTMASA-N 2 1 278.783 3.255 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC[C@H]1[NH3+] ZINC000335335054 208216323 /nfs/dbraw/zinc/21/63/23/208216323.db2.gz MNLGAJDDSQSHIS-GXFFZTMASA-N 2 1 278.783 3.255 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(COC)c2)C[C@H]1C ZINC000353745283 220296420 /nfs/dbraw/zinc/29/64/20/220296420.db2.gz IJHWVFSDXZHUMN-QAPCUYQASA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(COC)c2)C[C@H]1C ZINC000353745283 220296422 /nfs/dbraw/zinc/29/64/22/220296422.db2.gz IJHWVFSDXZHUMN-QAPCUYQASA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(COC)c2)C[C@H]1C ZINC000353745283 220296424 /nfs/dbraw/zinc/29/64/24/220296424.db2.gz IJHWVFSDXZHUMN-QAPCUYQASA-N 2 1 290.451 3.138 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2)C[C@@H]1C ZINC000353748810 220299329 /nfs/dbraw/zinc/29/93/29/220299329.db2.gz JIOCNIOVOQBTJW-DOTOQJQBSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C[C@@H]1C ZINC000353748810 220299333 /nfs/dbraw/zinc/29/93/33/220299333.db2.gz JIOCNIOVOQBTJW-DOTOQJQBSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C[C@@H]1C ZINC000353748810 220299338 /nfs/dbraw/zinc/29/93/38/220299338.db2.gz JIOCNIOVOQBTJW-DOTOQJQBSA-N 2 1 260.425 3.300 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000289322556 197296847 /nfs/dbraw/zinc/29/68/47/197296847.db2.gz UUPIOBNOQWHWTH-GUYCJALGSA-N 2 1 269.392 3.420 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000300248410 542411907 /nfs/dbraw/zinc/41/19/07/542411907.db2.gz NACVSRNTFUGRCW-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000300248410 542411910 /nfs/dbraw/zinc/41/19/10/542411910.db2.gz NACVSRNTFUGRCW-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309893956 542427580 /nfs/dbraw/zinc/42/75/80/542427580.db2.gz NIIRQYAMHYXPED-SFHVURJKSA-N 2 1 296.414 3.004 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069012 542485491 /nfs/dbraw/zinc/48/54/91/542485491.db2.gz SYSFVUIBTJOGCO-VYDXJSESSA-N 2 1 286.419 3.117 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069012 542485496 /nfs/dbraw/zinc/48/54/96/542485496.db2.gz SYSFVUIBTJOGCO-VYDXJSESSA-N 2 1 286.419 3.117 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069601 542485938 /nfs/dbraw/zinc/48/59/38/542485938.db2.gz XZYVCEQPEBNPTI-CABCVRRESA-N 2 1 284.403 3.458 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069601 542485943 /nfs/dbraw/zinc/48/59/43/542485943.db2.gz XZYVCEQPEBNPTI-CABCVRRESA-N 2 1 284.403 3.458 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340181163 542490069 /nfs/dbraw/zinc/49/00/69/542490069.db2.gz MEXMMDRWHKWDIO-IAOVAPTHSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340181163 542490072 /nfs/dbraw/zinc/49/00/72/542490072.db2.gz MEXMMDRWHKWDIO-IAOVAPTHSA-N 2 1 258.409 3.210 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CC[C@@H]1C1CC1)C2 ZINC000348088221 542513960 /nfs/dbraw/zinc/51/39/60/542513960.db2.gz QUKHOGJXJOYAJA-MOPGFXCFSA-N 2 1 284.447 3.213 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CC[C@@H]1C1CC1)C2 ZINC000348088221 542513963 /nfs/dbraw/zinc/51/39/63/542513963.db2.gz QUKHOGJXJOYAJA-MOPGFXCFSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1OCc1ccccc1 ZINC000423301562 533369439 /nfs/dbraw/zinc/36/94/39/533369439.db2.gz HNIHPLBRAJVBKW-OAHLLOKOSA-N 2 1 296.414 3.136 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423321062 533417198 /nfs/dbraw/zinc/41/71/98/533417198.db2.gz FXYMELVIEBCWKS-YOEHRIQHSA-N 2 1 276.424 3.044 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000424298462 533519297 /nfs/dbraw/zinc/51/92/97/533519297.db2.gz DGCOYGQEUIATDK-LERXQTSPSA-N 2 1 252.789 3.261 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nccc2ccccc21 ZINC000423518520 533536874 /nfs/dbraw/zinc/53/68/74/533536874.db2.gz ZIWDNCWMLCWTBL-CXAGYDPISA-N 2 1 283.419 3.403 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423530051 533537312 /nfs/dbraw/zinc/53/73/12/533537312.db2.gz PCFPVOPOLCFAMK-RDTXWAMCSA-N 2 1 298.434 3.040 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414191318 533568283 /nfs/dbraw/zinc/56/82/83/533568283.db2.gz RUZXDDKCJZZFFD-WMZOPIPTSA-N 2 1 289.467 3.114 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441356596 533622894 /nfs/dbraw/zinc/62/28/94/533622894.db2.gz MIHSGMRNUKBORQ-KZNAEPCWSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441356596 533622898 /nfs/dbraw/zinc/62/28/98/533622898.db2.gz MIHSGMRNUKBORQ-KZNAEPCWSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441356596 533622904 /nfs/dbraw/zinc/62/29/04/533622904.db2.gz MIHSGMRNUKBORQ-KZNAEPCWSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441356596 533622912 /nfs/dbraw/zinc/62/29/12/533622912.db2.gz MIHSGMRNUKBORQ-KZNAEPCWSA-N 2 1 296.499 3.388 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392269284 542612994 /nfs/dbraw/zinc/61/29/94/542612994.db2.gz JYCYLNIDMXMMRL-GDBMZVCRSA-N 2 1 250.430 3.197 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC1(C)C ZINC000397784404 542617989 /nfs/dbraw/zinc/61/79/89/542617989.db2.gz JTXJAVXGYLQFCY-GWONACJQSA-N 2 1 264.457 3.416 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397784404 542617992 /nfs/dbraw/zinc/61/79/92/542617992.db2.gz JTXJAVXGYLQFCY-GWONACJQSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000406133078 542627965 /nfs/dbraw/zinc/62/79/65/542627965.db2.gz XYEZSWHVRZOERN-ZBFHGGJFSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414975017 542641853 /nfs/dbraw/zinc/64/18/53/542641853.db2.gz FPILHQALYLCZFC-KRWDZBQOSA-N 2 1 254.377 3.181 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000415006653 542641885 /nfs/dbraw/zinc/64/18/85/542641885.db2.gz KUTDBTOBMNXPAG-KBPBESRZSA-N 2 1 254.377 3.179 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC000066152360 392151153 /nfs/dbraw/zinc/15/11/53/392151153.db2.gz KLCBZRIYWUFELJ-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC000066152360 392151162 /nfs/dbraw/zinc/15/11/62/392151162.db2.gz KLCBZRIYWUFELJ-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C12CCCC2 ZINC000085681384 392225292 /nfs/dbraw/zinc/22/52/92/392225292.db2.gz PHGJVBCZWCTJPV-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C12CCCC2 ZINC000085681384 392225295 /nfs/dbraw/zinc/22/52/95/392225295.db2.gz PHGJVBCZWCTJPV-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP c1ccc(CC[C@H](Cc2ccccc2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414867141 285473331 /nfs/dbraw/zinc/47/33/31/285473331.db2.gz GFHOQOKHQPFMBL-UXHICEINSA-N 2 1 294.442 3.182 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000414890951 285487989 /nfs/dbraw/zinc/48/79/89/285487989.db2.gz VTZONDFOVVMCTJ-ZACQAIPSSA-N 2 1 258.409 3.054 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000362015800 392388061 /nfs/dbraw/zinc/38/80/61/392388061.db2.gz OUBIHQXLYJXEAG-MLGOLLRUSA-N 2 1 296.455 3.119 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000125310449 392438345 /nfs/dbraw/zinc/43/83/45/392438345.db2.gz RDECKAWLVRDXEO-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125310449 392438350 /nfs/dbraw/zinc/43/83/50/392438350.db2.gz RDECKAWLVRDXEO-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125310449 392438360 /nfs/dbraw/zinc/43/83/60/392438360.db2.gz RDECKAWLVRDXEO-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130182056 392453495 /nfs/dbraw/zinc/45/34/95/392453495.db2.gz ZZOWDWKIMFMTLI-BFHYXJOUSA-N 2 1 264.438 3.334 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000132234531 392460534 /nfs/dbraw/zinc/46/05/34/392460534.db2.gz JYYBJENSKNJXOG-UONOGXRCSA-N 2 1 278.399 3.426 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000147771092 392480416 /nfs/dbraw/zinc/48/04/16/392480416.db2.gz CSETYRNTRPZMEA-QGZVFWFLSA-N 2 1 276.399 3.275 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000370592708 392507871 /nfs/dbraw/zinc/50/78/71/392507871.db2.gz IFQJNJRHASFNID-ZNMIVQPWSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccsc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000162035446 392589417 /nfs/dbraw/zinc/58/94/17/392589417.db2.gz FYKPNVBSMNZDLK-AWEZNQCLSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccsc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000162035446 392589422 /nfs/dbraw/zinc/58/94/22/392589422.db2.gz FYKPNVBSMNZDLK-AWEZNQCLSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccsc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000162035446 392589424 /nfs/dbraw/zinc/58/94/24/392589424.db2.gz FYKPNVBSMNZDLK-AWEZNQCLSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccsc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000162035446 392589429 /nfs/dbraw/zinc/58/94/29/392589429.db2.gz FYKPNVBSMNZDLK-AWEZNQCLSA-N 2 1 266.454 3.363 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1 ZINC000163232751 392602234 /nfs/dbraw/zinc/60/22/34/392602234.db2.gz QYMFFOJYHJNZSI-RHSMWYFYSA-N 2 1 276.424 3.078 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCC23CCC3)[C@H](c2ccccc2)C1 ZINC000647344427 392693056 /nfs/dbraw/zinc/69/30/56/392693056.db2.gz QLSKPFKQKBFYNA-FGTMMUONSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)C2CCCC2)CC[N@@H+]1C ZINC000647330361 392674940 /nfs/dbraw/zinc/67/49/40/392674940.db2.gz HRNWBMJUSTVNSV-KBRIMQKVSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)C2CCCC2)CC[N@H+]1C ZINC000647330361 392674945 /nfs/dbraw/zinc/67/49/45/392674945.db2.gz HRNWBMJUSTVNSV-KBRIMQKVSA-N 2 1 264.457 3.418 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000482197968 542707013 /nfs/dbraw/zinc/70/70/13/542707013.db2.gz ITMVEEJRBHMABL-HOTGVXAUSA-N 2 1 262.441 3.185 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(C)C ZINC000647343964 392692099 /nfs/dbraw/zinc/69/20/99/392692099.db2.gz GRTGQLVSKKVOEB-FGTMMUONSA-N 2 1 274.452 3.356 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)CC1 ZINC000372990879 392653884 /nfs/dbraw/zinc/65/38/84/392653884.db2.gz QXJPTEJDWMBZTR-HNNXBMFYSA-N 2 1 296.455 3.334 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2)CC1 ZINC000372990879 392653886 /nfs/dbraw/zinc/65/38/86/392653886.db2.gz QXJPTEJDWMBZTR-HNNXBMFYSA-N 2 1 296.455 3.334 20 0 CGADMP Cc1ccccc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000647315985 392660048 /nfs/dbraw/zinc/66/00/48/392660048.db2.gz JFXMYMVTUBUENG-UHFFFAOYSA-N 2 1 284.447 3.448 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000310796587 392660274 /nfs/dbraw/zinc/66/02/74/392660274.db2.gz WERKMNGOZCYSGA-UKRRQHHQSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000647316228 392661793 /nfs/dbraw/zinc/66/17/93/392661793.db2.gz VVAVLWDSXCMCDE-GJZGRUSLSA-N 2 1 258.409 3.056 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000647316228 392661800 /nfs/dbraw/zinc/66/18/00/392661800.db2.gz VVAVLWDSXCMCDE-GJZGRUSLSA-N 2 1 258.409 3.056 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000375051858 392731319 /nfs/dbraw/zinc/73/13/19/392731319.db2.gz XKJRIXAPONUWOI-CTFRIIQPSA-N 2 1 286.463 3.425 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479358 392735218 /nfs/dbraw/zinc/73/52/18/392735218.db2.gz DITLJAFGLPEFLG-FUHWJXTLSA-N 2 1 286.463 3.428 20 0 CGADMP CC[C@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000647497364 392740931 /nfs/dbraw/zinc/74/09/31/392740931.db2.gz FAMPRRXWWXKCAC-FUHWJXTLSA-N 2 1 290.451 3.295 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000647498983 392742878 /nfs/dbraw/zinc/74/28/78/392742878.db2.gz WHCGYCGEOVACEM-WMZOPIPTSA-N 2 1 295.430 3.308 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC[C@H]1[NH3+] ZINC000647498192 392742995 /nfs/dbraw/zinc/74/29/95/392742995.db2.gz CMCCJYFZMAGDSH-IAQYHMDHSA-N 2 1 276.355 3.131 20 0 CGADMP c1ccc2oc([C@@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000647513615 392745603 /nfs/dbraw/zinc/74/56/03/392745603.db2.gz PLRQGKWFQYEOFZ-HUUCEWRRSA-N 2 1 299.418 3.007 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543848 392759675 /nfs/dbraw/zinc/75/96/75/392759675.db2.gz SUMMCEFSSNDDOR-LSDHHAIUSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543241 392759733 /nfs/dbraw/zinc/75/97/33/392759733.db2.gz JXWKBLRGUXWVKK-DOTOQJQBSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544030 392760113 /nfs/dbraw/zinc/76/01/13/392760113.db2.gz VQCCCGJIQNMVEU-HOTGVXAUSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544029 392760194 /nfs/dbraw/zinc/76/01/94/392760194.db2.gz VQCCCGJIQNMVEU-CVEARBPZSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543676 392760768 /nfs/dbraw/zinc/76/07/68/392760768.db2.gz RALQEFGAWQWIPC-JKSUJKDBSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542723 392760851 /nfs/dbraw/zinc/76/08/51/392760851.db2.gz AOBJXZBIIRKTKY-ROUUACIJSA-N 2 1 272.436 3.207 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000647344738 392695517 /nfs/dbraw/zinc/69/55/17/392695517.db2.gz YEUITZWQAFHZCQ-OLMNPRSZSA-N 2 1 284.403 3.276 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000647344738 392695523 /nfs/dbraw/zinc/69/55/23/392695523.db2.gz YEUITZWQAFHZCQ-OLMNPRSZSA-N 2 1 284.403 3.276 20 0 CGADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647552672 392765872 /nfs/dbraw/zinc/76/58/72/392765872.db2.gz QJJBGHCDXGCFPC-HRCADAONSA-N 2 1 264.457 3.134 20 0 CGADMP Cc1cccc(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000181118477 392719278 /nfs/dbraw/zinc/71/92/78/392719278.db2.gz MEQOYQICOLSGHB-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647937319 392839278 /nfs/dbraw/zinc/83/92/78/392839278.db2.gz VTMCJWJNGAECFT-XFBWCDHKSA-N 2 1 282.378 3.475 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647937319 392839281 /nfs/dbraw/zinc/83/92/81/392839281.db2.gz VTMCJWJNGAECFT-XFBWCDHKSA-N 2 1 282.378 3.475 20 0 CGADMP CCOc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375507897 392787976 /nfs/dbraw/zinc/78/79/76/392787976.db2.gz QPKGMCFSIGPFTQ-UHFFFAOYSA-N 2 1 288.435 3.146 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647873391 392818710 /nfs/dbraw/zinc/81/87/10/392818710.db2.gz DDBAFKBYZWUPHV-MRXNPFEDSA-N 2 1 272.436 3.384 20 0 CGADMP c1ccc([C@H]2CCCCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647880999 392822236 /nfs/dbraw/zinc/82/22/36/392822236.db2.gz PZKWMVBTUWUGRK-DOTOQJQBSA-N 2 1 258.409 3.213 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647880311 392822516 /nfs/dbraw/zinc/82/25/16/392822516.db2.gz FCMOTKVOCYMTGD-SNVBAGLBSA-N 2 1 273.207 3.035 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647880311 392822522 /nfs/dbraw/zinc/82/25/22/392822522.db2.gz FCMOTKVOCYMTGD-SNVBAGLBSA-N 2 1 273.207 3.035 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647881137 392822887 /nfs/dbraw/zinc/82/28/87/392822887.db2.gz DMJWXGPQJHGQIK-GFCCVEGCSA-N 2 1 287.234 3.425 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957086 392843571 /nfs/dbraw/zinc/84/35/71/392843571.db2.gz MSYGXTDOKNPYEL-ROUUACIJSA-N 2 1 270.420 3.140 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1C ZINC000647888030 392826647 /nfs/dbraw/zinc/82/66/47/392826647.db2.gz CYWPRYJNWVWCAO-NVXWUHKLSA-N 2 1 258.409 3.050 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000647889471 392827284 /nfs/dbraw/zinc/82/72/84/392827284.db2.gz UOJZAUQTPVRRIK-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)CC2 ZINC000647903042 392828625 /nfs/dbraw/zinc/82/86/25/392828625.db2.gz FGYAQKYOKZBMGH-FHLIZLRMSA-N 2 1 288.410 3.277 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902825 392828937 /nfs/dbraw/zinc/82/89/37/392828937.db2.gz CNCHPYVNHROJIN-HOCLYGCPSA-N 2 1 290.476 3.373 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000647890821 392829188 /nfs/dbraw/zinc/82/91/88/392829188.db2.gz YZHIJKTUTONOIA-LZLYRXPVSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CC2CCC1CC2 ZINC000381883772 392915434 /nfs/dbraw/zinc/91/54/34/392915434.db2.gz KPJIYUBLSLIUFG-VQYWWXLESA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CC2CCC1CC2 ZINC000381883772 392915436 /nfs/dbraw/zinc/91/54/36/392915436.db2.gz KPJIYUBLSLIUFG-VQYWWXLESA-N 2 1 276.468 3.418 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000392298564 392929672 /nfs/dbraw/zinc/92/96/72/392929672.db2.gz XRSTYCNEDKWTJX-MRXNPFEDSA-N 2 1 262.441 3.341 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CCC[NH2+]CC2)C1 ZINC000394551603 392938215 /nfs/dbraw/zinc/93/82/15/392938215.db2.gz ZKFZSTOYEVKDDF-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]1CCCC[C@H]1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000401493075 392951410 /nfs/dbraw/zinc/95/14/10/392951410.db2.gz ZQVHQUFSFWMRHN-HOTGVXAUSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340399743 392971574 /nfs/dbraw/zinc/97/15/74/392971574.db2.gz ZSWWTDLTQZDFDT-IWCQGFGOSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340399743 392971581 /nfs/dbraw/zinc/97/15/81/392971581.db2.gz ZSWWTDLTQZDFDT-IWCQGFGOSA-N 2 1 258.409 3.210 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000340700503 392979087 /nfs/dbraw/zinc/97/90/87/392979087.db2.gz FCMZVPAJCDZHMB-MSOLQXFVSA-N 2 1 288.435 3.222 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000648424199 393010173 /nfs/dbraw/zinc/01/01/73/393010173.db2.gz DUNGKIXSAKFQSN-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000224113754 393011000 /nfs/dbraw/zinc/01/10/00/393011000.db2.gz VIKOJLNRJNIREZ-YSVLISHTSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000224113754 393011008 /nfs/dbraw/zinc/01/10/08/393011008.db2.gz VIKOJLNRJNIREZ-YSVLISHTSA-N 2 1 258.409 3.055 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000648424313 393012136 /nfs/dbraw/zinc/01/21/36/393012136.db2.gz XLMCTJRHVQFSAD-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000226564880 393015646 /nfs/dbraw/zinc/01/56/46/393015646.db2.gz LQDIMJLLIBVNPP-ULQDDVLXSA-N 2 1 276.399 3.493 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000346355491 393085466 /nfs/dbraw/zinc/08/54/66/393085466.db2.gz WODIANAXYYQXEE-UHFFFAOYSA-N 2 1 271.408 3.447 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000346355491 393085470 /nfs/dbraw/zinc/08/54/70/393085470.db2.gz WODIANAXYYQXEE-UHFFFAOYSA-N 2 1 271.408 3.447 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000415006608 393089007 /nfs/dbraw/zinc/08/90/07/393089007.db2.gz KQWUGNKCOONQSD-ZIAGYGMSSA-N 2 1 254.377 3.179 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000415004280 393089690 /nfs/dbraw/zinc/08/96/90/393089690.db2.gz HKPYVESQIXFASU-GHMZBOCLSA-N 2 1 278.396 3.380 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000415011194 393093941 /nfs/dbraw/zinc/09/39/41/393093941.db2.gz QLSYQQWBXLXSBZ-ZIAGYGMSSA-N 2 1 270.376 3.304 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC3(CCCCC3)O2)CC[N@@H+]1C ZINC000248840300 393096575 /nfs/dbraw/zinc/09/65/75/393096575.db2.gz NOWRPQSMSATBDA-BRWVUGGUSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC3(CCCCC3)O2)CC[N@H+]1C ZINC000248840300 393096578 /nfs/dbraw/zinc/09/65/78/393096578.db2.gz NOWRPQSMSATBDA-BRWVUGGUSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC3(CCCCC3)O2)CC[NH+]1C ZINC000248840300 393096587 /nfs/dbraw/zinc/09/65/87/393096587.db2.gz NOWRPQSMSATBDA-BRWVUGGUSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC3(CCCCC3)O2)CC[NH+]1C ZINC000248840300 393096596 /nfs/dbraw/zinc/09/65/96/393096596.db2.gz NOWRPQSMSATBDA-BRWVUGGUSA-N 2 1 294.483 3.283 20 0 CGADMP CCCCCOc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000415023194 393099827 /nfs/dbraw/zinc/09/98/27/393099827.db2.gz WGGLKFCLADNTSK-ZIAGYGMSSA-N 2 1 294.439 3.090 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000414194367 393044053 /nfs/dbraw/zinc/04/40/53/393044053.db2.gz VIOBPZXEFRIBLD-VDHUWJSZSA-N 2 1 286.463 3.356 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000467543474 393105899 /nfs/dbraw/zinc/10/58/99/393105899.db2.gz OQODSUQDFVTDGJ-GDBMZVCRSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000414740809 393052840 /nfs/dbraw/zinc/05/28/40/393052840.db2.gz KFFYGMLDSPJBEB-MCIONIFRSA-N 2 1 294.389 3.142 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414954773 393062483 /nfs/dbraw/zinc/06/24/83/393062483.db2.gz KVVXJYVRMZLUEV-NOZJJQNGSA-N 2 1 273.207 3.081 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(C)(C)OC)CC1 ZINC000468875762 393166235 /nfs/dbraw/zinc/16/62/35/393166235.db2.gz GTGFWDFSKFXSOO-UHFFFAOYSA-N 2 1 284.488 3.245 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C(C)C)C1 ZINC000250336184 393111983 /nfs/dbraw/zinc/11/19/83/393111983.db2.gz PDUJPVQXNZBQLY-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1nc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cs1 ZINC000415050060 393112395 /nfs/dbraw/zinc/11/23/95/393112395.db2.gz IEKPXPHVRTWZSZ-OAHLLOKOSA-N 2 1 275.421 3.021 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648585352 393114347 /nfs/dbraw/zinc/11/43/47/393114347.db2.gz BBBWITRTGKWUSV-QFBILLFUSA-N 2 1 286.463 3.254 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348252831 393117178 /nfs/dbraw/zinc/11/71/78/393117178.db2.gz CARMWNSCZMVYGZ-BHYGNILZSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348252831 393117186 /nfs/dbraw/zinc/11/71/86/393117186.db2.gz CARMWNSCZMVYGZ-BHYGNILZSA-N 2 1 260.425 3.110 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000262078315 393144830 /nfs/dbraw/zinc/14/48/30/393144830.db2.gz SUYPCDIZFYZZMZ-BBRMVZONSA-N 2 1 293.480 3.014 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000262078315 393144832 /nfs/dbraw/zinc/14/48/32/393144832.db2.gz SUYPCDIZFYZZMZ-BBRMVZONSA-N 2 1 293.480 3.014 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415125530 393152992 /nfs/dbraw/zinc/15/29/92/393152992.db2.gz LLAQFCHRJBWKDS-NVXWUHKLSA-N 2 1 290.451 3.282 20 0 CGADMP C[NH2+]CCC[N@@H+](C)C[C@H](C)c1cccc(Br)c1 ZINC000415136823 393156531 /nfs/dbraw/zinc/15/65/31/393156531.db2.gz SKDVFXFKKKCNSO-LBPRGKRZSA-N 2 1 299.256 3.094 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000547862907 393159485 /nfs/dbraw/zinc/15/94/85/393159485.db2.gz QHCQNPJZPCHNDT-IRXDYDNUSA-N 2 1 283.419 3.135 20 0 CGADMP Cc1cc[nH+]c(NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000268371309 393197666 /nfs/dbraw/zinc/19/76/66/393197666.db2.gz YTYRKVKRQNMPJZ-UHFFFAOYSA-N 2 1 299.418 3.333 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCC1CC1 ZINC000469776846 393212792 /nfs/dbraw/zinc/21/27/92/393212792.db2.gz SYUMXWFBCSZEME-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCC1CC1 ZINC000469776846 393212795 /nfs/dbraw/zinc/21/27/95/393212795.db2.gz SYUMXWFBCSZEME-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCC1CC1 ZINC000469776844 393212969 /nfs/dbraw/zinc/21/29/69/393212969.db2.gz SYUMXWFBCSZEME-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCC1CC1 ZINC000469776844 393212973 /nfs/dbraw/zinc/21/29/73/393212973.db2.gz SYUMXWFBCSZEME-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1 ZINC000275259200 393294528 /nfs/dbraw/zinc/29/45/28/393294528.db2.gz JOJMOCKLNXTNQU-IUODEOHRSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1 ZINC000275259200 393294538 /nfs/dbraw/zinc/29/45/38/393294538.db2.gz JOJMOCKLNXTNQU-IUODEOHRSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)cc1 ZINC000275259200 393294544 /nfs/dbraw/zinc/29/45/44/393294544.db2.gz JOJMOCKLNXTNQU-IUODEOHRSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000275259200 393294553 /nfs/dbraw/zinc/29/45/53/393294553.db2.gz JOJMOCKLNXTNQU-IUODEOHRSA-N 2 1 266.816 3.112 20 0 CGADMP CC1CCC(C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355412057 393311205 /nfs/dbraw/zinc/31/12/05/393311205.db2.gz APWQVXXLLCVQNZ-YZUHTNEWSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000475332504 393393603 /nfs/dbraw/zinc/39/36/03/393393603.db2.gz HKVRSEGJZFEYJC-NVXWUHKLSA-N 2 1 262.441 3.328 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000474475042 393341233 /nfs/dbraw/zinc/34/12/33/393341233.db2.gz MJOHIYWDGPMFDI-BZSNNMDCSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCCC1 ZINC000474722706 393344129 /nfs/dbraw/zinc/34/41/29/393344129.db2.gz LYHRWNSRETWSGP-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H](C[N@H+]1CCCC12CC[NH+](C)CC2)c1ccc(F)cc1 ZINC000475122592 393374235 /nfs/dbraw/zinc/37/42/35/393374235.db2.gz UENKBGTWZNTFEI-HNNXBMFYSA-N 2 1 290.426 3.489 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420381887 393480066 /nfs/dbraw/zinc/48/00/66/393480066.db2.gz CVKMWDLVKFVSSR-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420379976 393480358 /nfs/dbraw/zinc/48/03/58/393480358.db2.gz BXIDVHFCRFSVDN-SJLPKXTDSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479484222 393432691 /nfs/dbraw/zinc/43/26/91/393432691.db2.gz AATTUJISIHEUQO-WCZJQEMASA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479484222 393432695 /nfs/dbraw/zinc/43/26/95/393432695.db2.gz AATTUJISIHEUQO-WCZJQEMASA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@H+]1C ZINC000484478741 393445441 /nfs/dbraw/zinc/44/54/41/393445441.db2.gz FFLUJFITNCATLX-RQJABVFESA-N 2 1 292.389 3.427 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1Cl ZINC000420284101 393449800 /nfs/dbraw/zinc/44/98/00/393449800.db2.gz CNGMIWFPDJMDKT-INIZCTEOSA-N 2 1 296.842 3.344 20 0 CGADMP CSc1ccccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420293667 393451351 /nfs/dbraw/zinc/45/13/51/393451351.db2.gz ROMKSIVEGMRHPL-AWEZNQCLSA-N 2 1 266.454 3.214 20 0 CGADMP CC(C)C[C@H]1CCCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301015 393455039 /nfs/dbraw/zinc/45/50/39/393455039.db2.gz KWVMWFZPZHLCCD-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC2CC2)cc1 ZINC000420299649 393455724 /nfs/dbraw/zinc/45/57/24/393455724.db2.gz JEHGPIJRTMIHBY-HNNXBMFYSA-N 2 1 290.426 3.427 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420301722 393456155 /nfs/dbraw/zinc/45/61/55/393456155.db2.gz IXIKMPUPNVFCNQ-PBHICJAKSA-N 2 1 276.399 3.352 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320241 393465748 /nfs/dbraw/zinc/46/57/48/393465748.db2.gz BBMKMADDYRUMRK-YUELXQCFSA-N 2 1 294.389 3.347 20 0 CGADMP C(C[N@H+]1CCC[C@H]1C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000420322305 393466623 /nfs/dbraw/zinc/46/66/23/393466623.db2.gz SLDANGGYEDPQBP-RDJZCZTQSA-N 2 1 264.457 3.421 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccccc2C)cc1 ZINC000420328321 393468177 /nfs/dbraw/zinc/46/81/77/393468177.db2.gz ZDTHUEBTZLKODK-SFHVURJKSA-N 2 1 298.430 3.178 20 0 CGADMP Fc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333393 393470817 /nfs/dbraw/zinc/47/08/17/393470817.db2.gz SSZKSGQWRDTVGW-STQMWFEESA-N 2 1 296.817 3.301 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000429507972 393471520 /nfs/dbraw/zinc/47/15/20/393471520.db2.gz ASQVKXXDJCYBKW-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c2ccccc2n1 ZINC000420366270 393476606 /nfs/dbraw/zinc/47/66/06/393476606.db2.gz LZUACFALTHDUQR-UVBSCNOISA-N 2 1 283.419 3.019 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000647248682 393411009 /nfs/dbraw/zinc/41/10/09/393411009.db2.gz RHTZXQZKJZHURQ-MJGOQNOKSA-N 2 1 298.405 3.261 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000420405953 393484613 /nfs/dbraw/zinc/48/46/13/393484613.db2.gz NECWYLJIHODSDX-AWEZNQCLSA-N 2 1 272.795 3.375 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000657313839 542795161 /nfs/dbraw/zinc/79/51/61/542795161.db2.gz VQCXAGIJUKSUMD-MSOLQXFVSA-N 2 1 288.435 3.110 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000657313839 542795165 /nfs/dbraw/zinc/79/51/65/542795165.db2.gz VQCXAGIJUKSUMD-MSOLQXFVSA-N 2 1 288.435 3.110 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430560832 393575242 /nfs/dbraw/zinc/57/52/42/393575242.db2.gz XNSPAKDMGIMAQS-OLZOCXBDSA-N 2 1 298.883 3.491 20 0 CGADMP Cc1ccc(C)c(OCCC[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000430574287 393578394 /nfs/dbraw/zinc/57/83/94/393578394.db2.gz SGZNEADIMWVUOC-KRWDZBQOSA-N 2 1 278.440 3.035 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430653266 393583508 /nfs/dbraw/zinc/58/35/08/393583508.db2.gz OPYQBFVJWIGRJP-ABAIWWIYSA-N 2 1 268.351 3.087 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430653266 393583514 /nfs/dbraw/zinc/58/35/14/393583514.db2.gz OPYQBFVJWIGRJP-ABAIWWIYSA-N 2 1 268.351 3.087 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000360887055 393607407 /nfs/dbraw/zinc/60/74/07/393607407.db2.gz VERYRQQZIMUPSK-APWZRJJASA-N 2 1 296.414 3.414 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000430721979 393590199 /nfs/dbraw/zinc/59/01/99/393590199.db2.gz MARGYFVMDHGALN-RBZJEDDUSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000430721979 393590203 /nfs/dbraw/zinc/59/02/03/393590203.db2.gz MARGYFVMDHGALN-RBZJEDDUSA-N 2 1 252.446 3.274 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432415406 393610922 /nfs/dbraw/zinc/61/09/22/393610922.db2.gz CGGREPFDSPUUBV-RCCFBDPRSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432415406 393610925 /nfs/dbraw/zinc/61/09/25/393610925.db2.gz CGGREPFDSPUUBV-RCCFBDPRSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414307 393611071 /nfs/dbraw/zinc/61/10/71/393611071.db2.gz KORDFYKYGWUWOL-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[C@H](CC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414307 393611073 /nfs/dbraw/zinc/61/10/73/393611073.db2.gz KORDFYKYGWUWOL-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419371 393612053 /nfs/dbraw/zinc/61/20/53/393612053.db2.gz BGNWLQMEVLAVGH-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419371 393612055 /nfs/dbraw/zinc/61/20/55/393612055.db2.gz BGNWLQMEVLAVGH-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccs1 ZINC000432420820 393612690 /nfs/dbraw/zinc/61/26/90/393612690.db2.gz DEAJYNPMUQCLAT-GJZGRUSLSA-N 2 1 296.480 3.290 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccs1 ZINC000432420820 393612694 /nfs/dbraw/zinc/61/26/94/393612694.db2.gz DEAJYNPMUQCLAT-GJZGRUSLSA-N 2 1 296.480 3.290 20 0 CGADMP C[C@H]([NH2+]CCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000422742334 393640689 /nfs/dbraw/zinc/64/06/89/393640689.db2.gz RLRWOVHLCSHPLN-IINYFYTJSA-N 2 1 287.234 3.266 20 0 CGADMP FCCC[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183358 393654059 /nfs/dbraw/zinc/65/40/59/393654059.db2.gz GLQGKWHBCDIIGM-IAGOWNOFSA-N 2 1 293.430 3.069 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423278018 393658839 /nfs/dbraw/zinc/65/88/39/393658839.db2.gz QJBSEIQZLSPCJP-KGLIPLIRSA-N 2 1 297.240 3.009 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)c2sccc21 ZINC000423278396 393658882 /nfs/dbraw/zinc/65/88/82/393658882.db2.gz PUJFNYXEDZHWJL-WQAKAFBOSA-N 2 1 250.411 3.013 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423440709 393667595 /nfs/dbraw/zinc/66/75/95/393667595.db2.gz AWUQMODXXZQNGG-JSGCOSHPSA-N 2 1 297.240 3.153 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000423476515 393670233 /nfs/dbraw/zinc/67/02/33/393670233.db2.gz SOGPYDWUIBUDIE-OLZOCXBDSA-N 2 1 297.240 3.072 20 0 CGADMP CC(C)CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423512518 393671412 /nfs/dbraw/zinc/67/14/12/393671412.db2.gz UUUKLLWMWQZKNV-HZPDHXFCSA-N 2 1 252.446 3.308 20 0 CGADMP Cc1[nH+]c2ccccc2c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000443434971 393757090 /nfs/dbraw/zinc/75/70/90/393757090.db2.gz FPZMMNDKXWIZFC-HZPDHXFCSA-N 2 1 295.430 3.312 20 0 CGADMP Cc1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c2cc(F)ccc2[nH+]1 ZINC000425282979 393691377 /nfs/dbraw/zinc/69/13/77/393691377.db2.gz LMKLNCKSUICJQX-SCLBCKFNSA-N 2 1 299.393 3.213 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000502700503 393882915 /nfs/dbraw/zinc/88/29/15/393882915.db2.gz WTMVYZVMPIDPLN-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000502701145 393883223 /nfs/dbraw/zinc/88/32/23/393883223.db2.gz ZRDSMZAZFPDDBI-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000502701145 393883227 /nfs/dbraw/zinc/88/32/27/393883227.db2.gz ZRDSMZAZFPDDBI-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCC1 ZINC000449530190 393884533 /nfs/dbraw/zinc/88/45/33/393884533.db2.gz CPEUHLIEPKZKIS-UHFFFAOYSA-N 2 1 281.469 3.407 20 0 CGADMP CCC[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000449734652 393943244 /nfs/dbraw/zinc/94/32/44/393943244.db2.gz NPQWMVPOILCGMG-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000451405761 394045282 /nfs/dbraw/zinc/04/52/82/394045282.db2.gz ISQIWSIKDJSDFD-JHJVBQTASA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000451405761 394045283 /nfs/dbraw/zinc/04/52/83/394045283.db2.gz ISQIWSIKDJSDFD-JHJVBQTASA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000451405761 394045288 /nfs/dbraw/zinc/04/52/88/394045288.db2.gz ISQIWSIKDJSDFD-JHJVBQTASA-N 2 1 278.362 3.134 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453080416 394163916 /nfs/dbraw/zinc/16/39/16/394163916.db2.gz LTZNZXSWBBITNQ-UKRRQHHQSA-N 2 1 296.480 3.244 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C)C1CC1 ZINC000453389464 394227785 /nfs/dbraw/zinc/22/77/85/394227785.db2.gz CMOHBQJSIFMRJH-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453408874 394237704 /nfs/dbraw/zinc/23/77/04/394237704.db2.gz TZGUBGVKWWPRMV-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccnc1 ZINC000453411470 394238359 /nfs/dbraw/zinc/23/83/59/394238359.db2.gz VOMXUUXHIMARSK-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP CC[C@@H]1CCCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667654037 542907575 /nfs/dbraw/zinc/90/75/75/542907575.db2.gz RONACEYLYVMEBY-OAHLLOKOSA-N 2 1 284.407 3.422 20 0 CGADMP CC[C@@H]1CCCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667654037 542907578 /nfs/dbraw/zinc/90/75/78/542907578.db2.gz RONACEYLYVMEBY-OAHLLOKOSA-N 2 1 284.407 3.422 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000667666787 542911761 /nfs/dbraw/zinc/91/17/61/542911761.db2.gz YBWDZNKRFBGPLQ-BBRMVZONSA-N 2 1 296.480 3.057 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000667666787 542911763 /nfs/dbraw/zinc/91/17/63/542911763.db2.gz YBWDZNKRFBGPLQ-BBRMVZONSA-N 2 1 296.480 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000667666787 542911766 /nfs/dbraw/zinc/91/17/66/542911766.db2.gz YBWDZNKRFBGPLQ-BBRMVZONSA-N 2 1 296.480 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000667666787 542911767 /nfs/dbraw/zinc/91/17/67/542911767.db2.gz YBWDZNKRFBGPLQ-BBRMVZONSA-N 2 1 296.480 3.057 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3ccncc3s2)CC1 ZINC000668063521 542964609 /nfs/dbraw/zinc/96/46/09/542964609.db2.gz NTBNNZYKFGKRSW-AWEZNQCLSA-N 2 1 289.448 3.212 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3ccncc3s2)CC1 ZINC000668063521 542964611 /nfs/dbraw/zinc/96/46/11/542964611.db2.gz NTBNNZYKFGKRSW-AWEZNQCLSA-N 2 1 289.448 3.212 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000668818167 543066367 /nfs/dbraw/zinc/06/63/67/543066367.db2.gz FRGNQVWAPOQULU-GDBMZVCRSA-N 2 1 266.473 3.380 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H]2CCC[C@H]21 ZINC000671738774 543183763 /nfs/dbraw/zinc/18/37/63/543183763.db2.gz OTXCBWKQYWHPBJ-IXDOHACOSA-N 2 1 262.441 3.339 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000671754443 543186563 /nfs/dbraw/zinc/18/65/63/543186563.db2.gz QQGCPPIHUUIPBO-YXYCDRMUSA-N 2 1 294.483 3.185 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000037916143 397609770 /nfs/dbraw/zinc/60/97/70/397609770.db2.gz JTFXPRLYXLVHTH-MSOLQXFVSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000302010659 397676196 /nfs/dbraw/zinc/67/61/96/397676196.db2.gz AKGZVXFSNOWHDH-IRXDYDNUSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000302010659 397676198 /nfs/dbraw/zinc/67/61/98/397676198.db2.gz AKGZVXFSNOWHDH-IRXDYDNUSA-N 2 1 287.451 3.481 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2c(OC)ccc3ccccc32)CC[C@@H]1[NH3+] ZINC000387608339 397690402 /nfs/dbraw/zinc/69/04/02/397690402.db2.gz XRIAYCHREZGTET-KSSFIOAISA-N 2 1 298.430 3.408 20 0 CGADMP Fc1ccccc1C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000650715032 397899943 /nfs/dbraw/zinc/89/99/43/397899943.db2.gz MAQRULJHHNRXCE-RDJZCZTQSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC000675748564 543360875 /nfs/dbraw/zinc/36/08/75/543360875.db2.gz AAHWPTABWZBUBH-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC000675748564 543360876 /nfs/dbraw/zinc/36/08/76/543360876.db2.gz AAHWPTABWZBUBH-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000676044904 543378533 /nfs/dbraw/zinc/37/85/33/543378533.db2.gz HQJWMTOEMUEKGU-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000678156153 543490246 /nfs/dbraw/zinc/49/02/46/543490246.db2.gz RLWCQPFYFQAKHP-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678412417 543521661 /nfs/dbraw/zinc/52/16/61/543521661.db2.gz WFBVYBDJQATIID-OAHLLOKOSA-N 2 1 275.440 3.223 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000678765840 543554017 /nfs/dbraw/zinc/55/40/17/543554017.db2.gz HAPZJGLCVWROOF-RDTXWAMCSA-N 2 1 283.419 3.495 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996862 292247815 /nfs/dbraw/zinc/24/78/15/292247815.db2.gz RKQHXNIECJWZDH-USXIJHARSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996862 292247816 /nfs/dbraw/zinc/24/78/16/292247816.db2.gz RKQHXNIECJWZDH-USXIJHARSA-N 2 1 258.409 3.272 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC000555597425 289351299 /nfs/dbraw/zinc/35/12/99/289351299.db2.gz HIPHHXHERRZMJY-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC000555597425 289351300 /nfs/dbraw/zinc/35/13/00/289351300.db2.gz HIPHHXHERRZMJY-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC000555597425 289351301 /nfs/dbraw/zinc/35/13/01/289351301.db2.gz HIPHHXHERRZMJY-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP CCOc1ccccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000037997497 286888895 /nfs/dbraw/zinc/88/88/95/286888895.db2.gz RKNNIQVQMUFAJC-MRXNPFEDSA-N 2 1 290.451 3.297 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000359941288 287022403 /nfs/dbraw/zinc/02/24/03/287022403.db2.gz KECSWFXWDQRXNH-UONOGXRCSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000271278488 287022936 /nfs/dbraw/zinc/02/29/36/287022936.db2.gz BWTZRLYDVVKUSC-LSDHHAIUSA-N 2 1 293.430 3.383 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCC1 ZINC000183193212 287050021 /nfs/dbraw/zinc/05/00/21/287050021.db2.gz DRXFTILOEKGRHW-IJEWVQPXSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000080426582 287065213 /nfs/dbraw/zinc/06/52/13/287065213.db2.gz SIJSBVZQEASVJA-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC000081571111 287074489 /nfs/dbraw/zinc/07/44/89/287074489.db2.gz HMKCCZQIAYZRAQ-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000081571111 287074491 /nfs/dbraw/zinc/07/44/91/287074491.db2.gz HMKCCZQIAYZRAQ-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCOc2ccccc2C)CC1 ZINC000077249470 165120477 /nfs/dbraw/zinc/12/04/77/165120477.db2.gz KUXJZUJBCRJHJQ-UHFFFAOYSA-N 2 1 290.451 3.180 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCOc2ccccc2C)CC1 ZINC000077249470 165120484 /nfs/dbraw/zinc/12/04/84/165120484.db2.gz KUXJZUJBCRJHJQ-UHFFFAOYSA-N 2 1 290.451 3.180 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000084946744 165176128 /nfs/dbraw/zinc/17/61/28/165176128.db2.gz SNKFURKVGSEZDY-UHFFFAOYSA-N 2 1 290.304 3.015 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C(C)C ZINC000090586452 287102882 /nfs/dbraw/zinc/10/28/82/287102882.db2.gz NJYHJYWDPWHNNY-JKSUJKDBSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccn(C)c2)C1 ZINC000092587947 165301207 /nfs/dbraw/zinc/30/12/07/165301207.db2.gz FLKDCOKSIFKATJ-IAGOWNOFSA-N 2 1 289.467 3.112 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccn(C)c2)C1 ZINC000092587947 165301210 /nfs/dbraw/zinc/30/12/10/165301210.db2.gz FLKDCOKSIFKATJ-IAGOWNOFSA-N 2 1 289.467 3.112 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000092587947 165301212 /nfs/dbraw/zinc/30/12/12/165301212.db2.gz FLKDCOKSIFKATJ-IAGOWNOFSA-N 2 1 289.467 3.112 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000092587947 165301215 /nfs/dbraw/zinc/30/12/15/165301215.db2.gz FLKDCOKSIFKATJ-IAGOWNOFSA-N 2 1 289.467 3.112 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+](C)CC(C)(C)C[NH3+])on2)cc1 ZINC000093874197 165339258 /nfs/dbraw/zinc/33/92/58/165339258.db2.gz ARXYVEMXSDDHKY-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+](C)CC(C)(C)C[NH3+])on2)cc1 ZINC000093874197 165339260 /nfs/dbraw/zinc/33/92/60/165339260.db2.gz ARXYVEMXSDDHKY-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000093067048 287114835 /nfs/dbraw/zinc/11/48/35/287114835.db2.gz PZZUGLBGEDLWAN-AEFFLSMTSA-N 2 1 274.452 3.187 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)C ZINC000093337029 287115505 /nfs/dbraw/zinc/11/55/05/287115505.db2.gz IAZIUPZRMRXJHF-QGZVFWFLSA-N 2 1 274.452 3.486 20 0 CGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000093337029 287115508 /nfs/dbraw/zinc/11/55/08/287115508.db2.gz IAZIUPZRMRXJHF-QGZVFWFLSA-N 2 1 274.452 3.486 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC000093742317 287118768 /nfs/dbraw/zinc/11/87/68/287118768.db2.gz ACHBVCBLTKWVCB-SFHVURJKSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093742317 287118770 /nfs/dbraw/zinc/11/87/70/287118770.db2.gz ACHBVCBLTKWVCB-SFHVURJKSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093742317 287118772 /nfs/dbraw/zinc/11/87/72/287118772.db2.gz ACHBVCBLTKWVCB-SFHVURJKSA-N 2 1 274.452 3.467 20 0 CGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000093337029 287115510 /nfs/dbraw/zinc/11/55/10/287115510.db2.gz IAZIUPZRMRXJHF-QGZVFWFLSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169807 287128661 /nfs/dbraw/zinc/12/86/61/287128661.db2.gz VJCKJRJPIFYZLG-NWDGAFQWSA-N 2 1 268.351 3.087 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261809367 165837081 /nfs/dbraw/zinc/83/70/81/165837081.db2.gz HOCFOQXDVZZOPK-WCQYABFASA-N 2 1 266.816 3.072 20 0 CGADMP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119698882 287172816 /nfs/dbraw/zinc/17/28/16/287172816.db2.gz PGDAPVCTJMKPJA-CZUORRHYSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC)CCCC2)[C@@H](C)C1 ZINC000123415684 287219478 /nfs/dbraw/zinc/21/94/78/287219478.db2.gz QSEBWIOLYUANPL-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CO[C@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000284473909 196063944 /nfs/dbraw/zinc/06/39/44/196063944.db2.gz SSNRYBNGJXBFDE-GOSISDBHSA-N 2 1 290.451 3.179 20 0 CGADMP CO[C@H](C[N@@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000284473909 196063946 /nfs/dbraw/zinc/06/39/46/196063946.db2.gz SSNRYBNGJXBFDE-GOSISDBHSA-N 2 1 290.451 3.179 20 0 CGADMP c1cc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2o1 ZINC000285434787 196283358 /nfs/dbraw/zinc/28/33/58/196283358.db2.gz KVXHUVWSXFUUCA-UHFFFAOYSA-N 2 1 284.403 3.397 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000285719782 196377481 /nfs/dbraw/zinc/37/74/81/196377481.db2.gz QCBZDZPWUCSSHT-NVXWUHKLSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)ccc2[nH]1 ZINC000285720262 196378182 /nfs/dbraw/zinc/37/81/82/196378182.db2.gz QCCYRWVXYOEZGI-UVBSCNOISA-N 2 1 285.435 3.295 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000038097986 174112549 /nfs/dbraw/zinc/11/25/49/174112549.db2.gz RNBZNGCYVFPZAQ-LBPRGKRZSA-N 2 1 252.427 3.191 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127848279 287297206 /nfs/dbraw/zinc/29/72/06/287297206.db2.gz ZJFNPDOZWZFLNH-KGLIPLIRSA-N 2 1 266.404 3.249 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127848279 287297209 /nfs/dbraw/zinc/29/72/09/287297209.db2.gz ZJFNPDOZWZFLNH-KGLIPLIRSA-N 2 1 266.404 3.249 20 0 CGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000314850071 416537948 /nfs/dbraw/zinc/53/79/48/416537948.db2.gz HZKBEPZJXCTXSJ-INIZCTEOSA-N 2 1 263.429 3.301 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)[C@@H]1CC[NH3+] ZINC000404291856 416553138 /nfs/dbraw/zinc/55/31/38/416553138.db2.gz LMSAZWNOVNYGET-CMPLNLGQSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)[C@@H]1CC[NH3+] ZINC000404291856 416553141 /nfs/dbraw/zinc/55/31/41/416553141.db2.gz LMSAZWNOVNYGET-CMPLNLGQSA-N 2 1 272.845 3.351 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(C)s1 ZINC000404429443 416553555 /nfs/dbraw/zinc/55/35/55/416553555.db2.gz NRAXPJILXOLECQ-XHDPSFHLSA-N 2 1 266.454 3.314 20 0 CGADMP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000129786198 287339175 /nfs/dbraw/zinc/33/91/75/287339175.db2.gz RYGFTYBLVMCOKP-HZPDHXFCSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000342622968 287347647 /nfs/dbraw/zinc/34/76/47/287347647.db2.gz GZYIGBNZTISXNX-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1C ZINC000679721563 543657427 /nfs/dbraw/zinc/65/74/27/543657427.db2.gz OSGLLTBJZQFTFW-ATLSCFEFSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](Cc1ccccc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680368904 543705275 /nfs/dbraw/zinc/70/52/75/543705275.db2.gz QWUBKVVFXUOPTH-IEBWSBKVSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000681412985 543788612 /nfs/dbraw/zinc/78/86/12/543788612.db2.gz YDBANPMFBWQDSM-IIAWOOMASA-N 2 1 263.429 3.386 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682073947 543820933 /nfs/dbraw/zinc/82/09/33/543820933.db2.gz POZDIENGYDUADV-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000131127311 287371396 /nfs/dbraw/zinc/37/13/96/287371396.db2.gz KGVSPUGHGDUXMD-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000131127311 287371398 /nfs/dbraw/zinc/37/13/98/287371398.db2.gz KGVSPUGHGDUXMD-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000131127311 287371399 /nfs/dbraw/zinc/37/13/99/287371399.db2.gz KGVSPUGHGDUXMD-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000682500394 543849082 /nfs/dbraw/zinc/84/90/82/543849082.db2.gz SNIPTEZQNVOYIL-CRAIPNDOSA-N 2 1 289.467 3.423 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1C ZINC000131410228 287379159 /nfs/dbraw/zinc/37/91/59/287379159.db2.gz DVEGWQUCTCWQNE-INIZCTEOSA-N 2 1 290.451 3.086 20 0 CGADMP COc1c(C)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1C ZINC000131410228 287379160 /nfs/dbraw/zinc/37/91/60/287379160.db2.gz DVEGWQUCTCWQNE-INIZCTEOSA-N 2 1 290.451 3.086 20 0 CGADMP COc1c(C)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000131410228 287379162 /nfs/dbraw/zinc/37/91/62/287379162.db2.gz DVEGWQUCTCWQNE-INIZCTEOSA-N 2 1 290.451 3.086 20 0 CGADMP CC(C)(C)OCCCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000682759661 543865590 /nfs/dbraw/zinc/86/55/90/543865590.db2.gz SFBUCOYLULCNOO-OAHLLOKOSA-N 2 1 279.428 3.115 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000682916972 543878021 /nfs/dbraw/zinc/87/80/21/543878021.db2.gz UFKHUJBEGSBMGE-GFCCVEGCSA-N 2 1 281.469 3.224 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453597332 287398300 /nfs/dbraw/zinc/39/83/00/287398300.db2.gz NETXAEDPEIYQHR-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(CCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000684572252 544014709 /nfs/dbraw/zinc/01/47/09/544014709.db2.gz QFVOOCJGHUZZEB-UHFFFAOYSA-N 2 1 295.430 3.227 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](OC)C1)CC(C)C ZINC000684367235 543986496 /nfs/dbraw/zinc/98/64/96/543986496.db2.gz LWFDXFJOMKUJBR-IKGGRYGDSA-N 2 1 284.488 3.290 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000684369201 543986960 /nfs/dbraw/zinc/98/69/60/543986960.db2.gz JWCQSHHBOPJVGX-RCCFBDPRSA-N 2 1 296.499 3.290 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000684370314 543987368 /nfs/dbraw/zinc/98/73/68/543987368.db2.gz SILBYSDZABRXHK-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](OC)C2)c1 ZINC000684377339 543988581 /nfs/dbraw/zinc/98/85/81/543988581.db2.gz KOWRTWIACZFYSS-ROUUACIJSA-N 2 1 290.451 3.186 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000685462188 544074982 /nfs/dbraw/zinc/07/49/82/544074982.db2.gz ZICPFWOGJDKANV-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2cnccc2c1 ZINC000685462188 544074984 /nfs/dbraw/zinc/07/49/84/544074984.db2.gz ZICPFWOGJDKANV-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)Nc1cc[nH+]c2c(O)cccc12 ZINC000685925912 544109581 /nfs/dbraw/zinc/10/95/81/544109581.db2.gz QUHSDODPMNSAIN-GFCCVEGCSA-N 2 1 273.380 3.081 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000658326398 418936003 /nfs/dbraw/zinc/93/60/03/418936003.db2.gz DSWVLSFGKYUYMX-BSDSXHPESA-N 2 1 294.483 3.044 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000652221168 418937262 /nfs/dbraw/zinc/93/72/62/418937262.db2.gz SMUAPVNTZFHGMS-OAHLLOKOSA-N 2 1 278.440 3.324 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000652221168 418937264 /nfs/dbraw/zinc/93/72/64/418937264.db2.gz SMUAPVNTZFHGMS-OAHLLOKOSA-N 2 1 278.440 3.324 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000652220451 418937363 /nfs/dbraw/zinc/93/73/63/418937363.db2.gz AODUDYIDGCONNR-AWEZNQCLSA-N 2 1 292.423 3.044 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000652220451 418937365 /nfs/dbraw/zinc/93/73/65/418937365.db2.gz AODUDYIDGCONNR-AWEZNQCLSA-N 2 1 292.423 3.044 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1F ZINC000652220849 418937748 /nfs/dbraw/zinc/93/77/48/418937748.db2.gz KVQRQIFKVOIZKJ-CQSZACIVSA-N 2 1 296.430 3.463 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1F ZINC000652220849 418937751 /nfs/dbraw/zinc/93/77/51/418937751.db2.gz KVQRQIFKVOIZKJ-CQSZACIVSA-N 2 1 296.430 3.463 20 0 CGADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCc2ccc(F)cc21 ZINC000652364502 418958515 /nfs/dbraw/zinc/95/85/15/418958515.db2.gz UNWCCNKCQKSWIN-AWEZNQCLSA-N 2 1 290.426 3.177 20 0 CGADMP CO[C@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C1CCCC1 ZINC000659876685 419025438 /nfs/dbraw/zinc/02/54/38/419025438.db2.gz LIBYWOJSCUBERK-GOSISDBHSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1ccccc1C1([NH2+]CCCc2c[nH+]cn2C)CCC1 ZINC000653776368 419082951 /nfs/dbraw/zinc/08/29/51/419082951.db2.gz CGNQMXUHVDWAQV-UHFFFAOYSA-N 2 1 283.419 3.330 20 0 CGADMP FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000665241727 419088378 /nfs/dbraw/zinc/08/83/78/419088378.db2.gz XCBGFSBTEPZPMX-RRFJBIMHSA-N 2 1 298.352 3.293 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CCCC1 ZINC000665247945 419090037 /nfs/dbraw/zinc/09/00/37/419090037.db2.gz MDBASMIDVQKHNT-AWEZNQCLSA-N 2 1 294.826 3.415 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)c(F)c1 ZINC000665247897 419090531 /nfs/dbraw/zinc/09/05/31/419090531.db2.gz LKGMQXUEEPXVHY-JTQLQIEISA-N 2 1 270.779 3.401 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CCCC1 ZINC000665249373 419092012 /nfs/dbraw/zinc/09/20/12/419092012.db2.gz PAJBAZGFYQECDH-ZDUSSCGKSA-N 2 1 280.412 3.224 20 0 CGADMP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655773913 419094818 /nfs/dbraw/zinc/09/48/18/419094818.db2.gz KSKQJDZEBHCFQG-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]CC1CCC([NH2+]CC(F)(F)c2ccc(F)cc2)CC1 ZINC000665275742 419099818 /nfs/dbraw/zinc/09/98/18/419099818.db2.gz QOHGQHRYSLFVBC-UHFFFAOYSA-N 2 1 286.341 3.025 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](CC)CC(F)F)C1 ZINC000659982728 419053024 /nfs/dbraw/zinc/05/30/24/419053024.db2.gz VQAQRMCJLVODTC-KBPBESRZSA-N 2 1 276.415 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](CC)CC(F)F)C1 ZINC000659982728 419053028 /nfs/dbraw/zinc/05/30/28/419053028.db2.gz VQAQRMCJLVODTC-KBPBESRZSA-N 2 1 276.415 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000659982728 419053032 /nfs/dbraw/zinc/05/30/32/419053032.db2.gz VQAQRMCJLVODTC-KBPBESRZSA-N 2 1 276.415 3.332 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)Cc1ccsc1 ZINC000653625377 419062085 /nfs/dbraw/zinc/06/20/85/419062085.db2.gz APYSXDUAOWMLPD-CQSZACIVSA-N 2 1 291.464 3.367 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)Cc1ccsc1 ZINC000653625377 419062088 /nfs/dbraw/zinc/06/20/88/419062088.db2.gz APYSXDUAOWMLPD-CQSZACIVSA-N 2 1 291.464 3.367 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000655682963 419063622 /nfs/dbraw/zinc/06/36/22/419063622.db2.gz OCNBQZNOINFZTP-ZNMIVQPWSA-N 2 1 270.486 3.125 20 0 CGADMP C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000655948708 419129168 /nfs/dbraw/zinc/12/91/68/419129168.db2.gz AGFLKZUVHCSBFO-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000655942708 419129261 /nfs/dbraw/zinc/12/92/61/419129261.db2.gz XNXMFHUTNUHAAO-XJKSGUPXSA-N 2 1 276.424 3.130 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000655942708 419129264 /nfs/dbraw/zinc/12/92/64/419129264.db2.gz XNXMFHUTNUHAAO-XJKSGUPXSA-N 2 1 276.424 3.130 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC000656200574 419149446 /nfs/dbraw/zinc/14/94/46/419149446.db2.gz RSMLIGSCGJQJHW-VXGBXAGGSA-N 2 1 264.800 3.189 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC2CC2)cc1 ZINC000656403718 419168468 /nfs/dbraw/zinc/16/84/68/419168468.db2.gz UHBVJIFRXNEYPK-HAGHYFMRSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CC2)cc1 ZINC000656403718 419168471 /nfs/dbraw/zinc/16/84/71/419168471.db2.gz UHBVJIFRXNEYPK-HAGHYFMRSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CC2)cc1 ZINC000656403718 419168473 /nfs/dbraw/zinc/16/84/73/419168473.db2.gz UHBVJIFRXNEYPK-HAGHYFMRSA-N 2 1 296.458 3.239 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655183 419176030 /nfs/dbraw/zinc/17/60/30/419176030.db2.gz LNBFYSGZJQXPLZ-IEBWSBKVSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655183 419176033 /nfs/dbraw/zinc/17/60/33/419176033.db2.gz LNBFYSGZJQXPLZ-IEBWSBKVSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655183 419176035 /nfs/dbraw/zinc/17/60/35/419176035.db2.gz LNBFYSGZJQXPLZ-IEBWSBKVSA-N 2 1 286.463 3.425 20 0 CGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCN1C[C@@H](C)C[C@H](C)C1 ZINC000660318021 419126835 /nfs/dbraw/zinc/12/68/35/419126835.db2.gz UTCJYXGXWHPWAZ-CAOSSQGBSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H]1[C@H](C)CCN1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660318021 419126840 /nfs/dbraw/zinc/12/68/40/419126840.db2.gz UTCJYXGXWHPWAZ-CAOSSQGBSA-N 2 1 252.446 3.085 20 0 CGADMP COCc1csc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000657317555 419249636 /nfs/dbraw/zinc/24/96/36/419249636.db2.gz ZBMRTSLKKFUEDU-UHFFFAOYSA-N 2 1 296.480 3.247 20 0 CGADMP CCc1cccc2cc(C[NH2+]CCn3cc[nH+]c3C)oc21 ZINC000657338104 419254821 /nfs/dbraw/zinc/25/48/21/419254821.db2.gz PTNKMHAAXDJRCA-UHFFFAOYSA-N 2 1 283.375 3.290 20 0 CGADMP FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000656788070 419220152 /nfs/dbraw/zinc/22/01/52/419220152.db2.gz QCZPXNYSXIGAKA-RRFJBIMHSA-N 2 1 298.352 3.293 20 0 CGADMP Cc1nc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000657182601 419229646 /nfs/dbraw/zinc/22/96/46/419229646.db2.gz BFSNIZKDQOYZGE-FZMZJTMJSA-N 2 1 281.469 3.142 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661870026 419310160 /nfs/dbraw/zinc/31/01/60/419310160.db2.gz BCAOIFNRIZWRQV-QZTJIDSGSA-N 2 1 294.483 3.142 20 0 CGADMP FC1(F)CC12CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000657716420 419332679 /nfs/dbraw/zinc/33/26/79/419332679.db2.gz IOUDKLPTCIMDNF-PIOWNMBXSA-N 2 1 284.394 3.171 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCc1ccsc1 ZINC000662177595 419351023 /nfs/dbraw/zinc/35/10/23/419351023.db2.gz JUQRVQKNWFSHGZ-UHFFFAOYSA-N 2 1 268.470 3.391 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCc1ccsc1 ZINC000662177595 419351029 /nfs/dbraw/zinc/35/10/29/419351029.db2.gz JUQRVQKNWFSHGZ-UHFFFAOYSA-N 2 1 268.470 3.391 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657857723 419390087 /nfs/dbraw/zinc/39/00/87/419390087.db2.gz CGCJBFZRZCTZTQ-MNOVXSKESA-N 2 1 271.355 3.010 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(c2ccccc2)CC1(C)C ZINC000662342887 419398840 /nfs/dbraw/zinc/39/88/40/419398840.db2.gz LBJVWLTWCUIZAF-GOSISDBHSA-N 2 1 283.419 3.497 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000662243447 419370552 /nfs/dbraw/zinc/37/05/52/419370552.db2.gz BFZZCCKCNHNKLY-YOEHRIQHSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000662266906 419375040 /nfs/dbraw/zinc/37/50/40/419375040.db2.gz QPJCYTMPWGWTAP-SFHVURJKSA-N 2 1 272.436 3.170 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662266420 419375673 /nfs/dbraw/zinc/37/56/73/419375673.db2.gz YHLAXCLGRXQWPP-ZFWWWQNUSA-N 2 1 260.425 3.153 20 0 CGADMP CCOC1CCC([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000657835307 419378352 /nfs/dbraw/zinc/37/83/52/419378352.db2.gz WTHNHIFXWWTFJM-OFLPRAFFSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCCCC1 ZINC000662276699 419381123 /nfs/dbraw/zinc/38/11/23/419381123.db2.gz LGSUPBKNBSPLDM-DLBZAZTESA-N 2 1 282.472 3.079 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292154 419385646 /nfs/dbraw/zinc/38/56/46/419385646.db2.gz CAGJGFWGDMZXPN-JTQLQIEISA-N 2 1 272.339 3.018 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292154 419385651 /nfs/dbraw/zinc/38/56/51/419385651.db2.gz CAGJGFWGDMZXPN-JTQLQIEISA-N 2 1 272.339 3.018 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657930870 419448594 /nfs/dbraw/zinc/44/85/94/419448594.db2.gz ODYSCNVOGQAMLJ-CQSZACIVSA-N 2 1 288.426 3.032 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347881 419565532 /nfs/dbraw/zinc/56/55/32/419565532.db2.gz ZECBHVLKFSQIHO-DJIMGWMZSA-N 2 1 264.457 3.277 20 0 CGADMP C1=CC[C@H](C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663346612 419567262 /nfs/dbraw/zinc/56/72/62/419567262.db2.gz AUNYIEJYGDRDTO-DOTOQJQBSA-N 2 1 262.441 3.054 20 0 CGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663347485 419567345 /nfs/dbraw/zinc/56/73/45/419567345.db2.gz MANWOZOVIKHFLV-AWEZNQCLSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000663347485 419567354 /nfs/dbraw/zinc/56/73/54/419567354.db2.gz MANWOZOVIKHFLV-AWEZNQCLSA-N 2 1 294.389 3.176 20 0 CGADMP CCC[NH+]1CCC(CNc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663484885 419632760 /nfs/dbraw/zinc/63/27/60/419632760.db2.gz XERFAOMKHAJSPQ-UHFFFAOYSA-N 2 1 298.434 3.351 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468521 419621330 /nfs/dbraw/zinc/62/13/30/419621330.db2.gz LRRQZJDNFNKOAK-DJIMGWMZSA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468816 419623004 /nfs/dbraw/zinc/62/30/04/419623004.db2.gz MWOYJXXHMAEHIK-CVEARBPZSA-N 2 1 294.483 3.044 20 0 CGADMP CC1(C)CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230473 419688894 /nfs/dbraw/zinc/68/88/94/419688894.db2.gz YWSMXZJDWSFPOJ-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230473 419688901 /nfs/dbraw/zinc/68/89/01/419688901.db2.gz YWSMXZJDWSFPOJ-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccoc1 ZINC000658201096 419654075 /nfs/dbraw/zinc/65/40/75/419654075.db2.gz QOGXKMWMVSYDKE-APWZRJJASA-N 2 1 298.430 3.322 20 0 CGADMP C[NH+](C)C1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000664027821 419804239 /nfs/dbraw/zinc/80/42/39/419804239.db2.gz MELUASAETAHRSN-UHFFFAOYSA-N 2 1 284.407 3.102 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000020128821 262230682 /nfs/dbraw/zinc/23/06/82/262230682.db2.gz WQEORVMXHOJNJN-ZDUSSCGKSA-N 2 1 282.378 3.491 20 0 CGADMP C[NH+](CCCc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000525783630 262232038 /nfs/dbraw/zinc/23/20/38/262232038.db2.gz BZKGKXLLYLKCBC-GOSISDBHSA-N 2 1 274.452 3.425 20 0 CGADMP C[NH+](CCCc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000525783630 262232039 /nfs/dbraw/zinc/23/20/39/262232039.db2.gz BZKGKXLLYLKCBC-GOSISDBHSA-N 2 1 274.452 3.425 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCCCC1 ZINC000525784474 262233756 /nfs/dbraw/zinc/23/37/56/262233756.db2.gz UKWZAYXXCRHASP-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCCCC1 ZINC000525784474 262233757 /nfs/dbraw/zinc/23/37/57/262233757.db2.gz UKWZAYXXCRHASP-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CCCCC1 ZINC000525784474 262233759 /nfs/dbraw/zinc/23/37/59/262233759.db2.gz UKWZAYXXCRHASP-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1cc(C)c(C[NH2+]CCC[N@H+](C)C(C)C)cc1C ZINC000221788939 262296802 /nfs/dbraw/zinc/29/68/02/262296802.db2.gz UALAYCZTLZBASQ-UHFFFAOYSA-N 2 1 262.441 3.432 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCC4CC4)C[C@H]3C2)cc1 ZINC000390811833 262348549 /nfs/dbraw/zinc/34/85/49/262348549.db2.gz WIDLFIXGXJEXNN-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CC4)C[C@H]3C2)cc1 ZINC000390811833 262348551 /nfs/dbraw/zinc/34/85/51/262348551.db2.gz WIDLFIXGXJEXNN-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CC4)C[C@H]3C2)cc1 ZINC000390811833 262348552 /nfs/dbraw/zinc/34/85/52/262348552.db2.gz WIDLFIXGXJEXNN-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535381 270036248 /nfs/dbraw/zinc/03/62/48/270036248.db2.gz CEODWPWPNURTDA-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000045692163 270039076 /nfs/dbraw/zinc/03/90/76/270039076.db2.gz CREDSTUAWHQNGA-ODIFPOPNSA-N 2 1 260.425 3.253 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000084200235 270043378 /nfs/dbraw/zinc/04/33/78/270043378.db2.gz YMTDHRSYHCHEDZ-JJRVBVJISA-N 2 1 260.425 3.067 20 0 CGADMP CC[N@H+]1CC[C@H](CN[C@@H](C)c2csc(C(C)C)n2)C1 ZINC000186255217 270065382 /nfs/dbraw/zinc/06/53/82/270065382.db2.gz VHRCCQMCSRHWIM-QWHCGFSZSA-N 2 1 281.469 3.259 20 0 CGADMP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000186881308 270067470 /nfs/dbraw/zinc/06/74/70/270067470.db2.gz JNTMOIXGZPJSNB-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192744942 270077685 /nfs/dbraw/zinc/07/76/85/270077685.db2.gz WNSWGXNGTCKODV-GOSISDBHSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000223192361 270086227 /nfs/dbraw/zinc/08/62/27/270086227.db2.gz JCWPAMZCCDIZFO-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527652629 270131064 /nfs/dbraw/zinc/13/10/64/270131064.db2.gz GJPHTRDGVRIOKY-FSDCSDTHSA-N 2 1 264.457 3.131 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C)ccc1C ZINC000527896132 270142693 /nfs/dbraw/zinc/14/26/93/270142693.db2.gz ZHOSUARQMRIBGP-QGZVFWFLSA-N 2 1 271.408 3.320 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000527978616 270148184 /nfs/dbraw/zinc/14/81/84/270148184.db2.gz DGHTZLONZCWDDS-XHSDSOJGSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000528371048 270162571 /nfs/dbraw/zinc/16/25/71/270162571.db2.gz IBWCAIONLMWYRX-UHFFFAOYSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000530242228 270197282 /nfs/dbraw/zinc/19/72/82/270197282.db2.gz ANRLOVZGQLTQNY-DOTOQJQBSA-N 2 1 290.451 3.295 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Cl)c1F ZINC000530354847 270199320 /nfs/dbraw/zinc/19/93/20/270199320.db2.gz PEOIWBGVONMKHI-AWEZNQCLSA-N 2 1 295.789 3.496 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCCCC2)C[C@H]1C ZINC000530905573 270203778 /nfs/dbraw/zinc/20/37/78/270203778.db2.gz JLCSEXQSHPTCHD-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCCCC2)C[C@H]1C ZINC000530905573 270203779 /nfs/dbraw/zinc/20/37/79/270203779.db2.gz JLCSEXQSHPTCHD-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCCCC2)C[C@H]1C ZINC000530905573 270203780 /nfs/dbraw/zinc/20/37/80/270203780.db2.gz JLCSEXQSHPTCHD-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000530513227 270200687 /nfs/dbraw/zinc/20/06/87/270200687.db2.gz UFWVQKQZTRMOMZ-SJORKVTESA-N 2 1 287.382 3.028 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000532950077 270220443 /nfs/dbraw/zinc/22/04/43/270220443.db2.gz XRVDZPDVPWGROF-UHFFFAOYSA-N 2 1 274.452 3.281 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(C)C)[C@@H](C)C1 ZINC000499551715 279397373 /nfs/dbraw/zinc/39/73/73/279397373.db2.gz ZUKSRUKXBFZTQP-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)(C)C)[C@@H](C)C1 ZINC000499551715 279397378 /nfs/dbraw/zinc/39/73/78/279397378.db2.gz ZUKSRUKXBFZTQP-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)[C@@H](C)C1 ZINC000499551715 279397381 /nfs/dbraw/zinc/39/73/81/279397381.db2.gz ZUKSRUKXBFZTQP-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C[C@H]1OC ZINC000245838962 287680216 /nfs/dbraw/zinc/68/02/16/287680216.db2.gz DBECGHXMOBUGQU-NUEKZKHPSA-N 2 1 293.455 3.011 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422829932 273722475 /nfs/dbraw/zinc/72/24/75/273722475.db2.gz CHZSTNNWTZKWSZ-IXDOHACOSA-N 2 1 290.476 3.137 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000252711755 274335845 /nfs/dbraw/zinc/33/58/45/274335845.db2.gz KMZCZQHIGXKCSB-BXUZGUMPSA-N 2 1 286.341 3.135 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC000414953712 274392559 /nfs/dbraw/zinc/39/25/59/274392559.db2.gz RUIGQLYCOFLMPC-SKDRFNHKSA-N 2 1 290.304 3.075 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CC[NH2+]1 ZINC000423377383 274407408 /nfs/dbraw/zinc/40/74/08/274407408.db2.gz LOIBXAXURXEERC-QKCSRTOESA-N 2 1 280.412 3.093 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)CC3 ZINC000414853707 274766953 /nfs/dbraw/zinc/76/69/53/274766953.db2.gz SUTCOXRKBXQZKW-GJZGRUSLSA-N 2 1 299.462 3.297 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649041 275069391 /nfs/dbraw/zinc/06/93/91/275069391.db2.gz UJNXZQAVWSXVMR-KDOFPFPSSA-N 2 1 270.420 3.138 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000367602926 276076284 /nfs/dbraw/zinc/07/62/84/276076284.db2.gz WUCCAYZSLHOMQY-KRWDZBQOSA-N 2 1 298.434 3.029 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000423517245 276152228 /nfs/dbraw/zinc/15/22/28/276152228.db2.gz BKSBHLHVIKCWGF-AWEZNQCLSA-N 2 1 262.397 3.025 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000443652347 276180092 /nfs/dbraw/zinc/18/00/92/276180092.db2.gz GDIZRZREWPSDHY-RCCFBDPRSA-N 2 1 276.468 3.397 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000353534835 276219553 /nfs/dbraw/zinc/21/95/53/276219553.db2.gz UVQALAZTEBBEDE-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH2+]CC1CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000113655940 276264525 /nfs/dbraw/zinc/26/45/25/276264525.db2.gz OJZRWJXDGNJPET-UHFFFAOYSA-N 2 1 281.469 3.088 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423175051 276499928 /nfs/dbraw/zinc/49/99/28/276499928.db2.gz CRPSEAZFIIQEEX-CQSZACIVSA-N 2 1 276.424 3.398 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000462105622 276887932 /nfs/dbraw/zinc/88/79/32/276887932.db2.gz PMFUSCZQZZEHEM-YPMHNXCESA-N 2 1 278.362 3.039 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000274294245 277023620 /nfs/dbraw/zinc/02/36/20/277023620.db2.gz RRHRXRPFLZJZDO-ROUUACIJSA-N 2 1 284.447 3.420 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176155 277053265 /nfs/dbraw/zinc/05/32/65/277053265.db2.gz IBHHUSXQWLPGMA-LRDDRELGSA-N 2 1 294.389 3.274 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000429527603 277188963 /nfs/dbraw/zinc/18/89/63/277188963.db2.gz MVEMSXQFVBXXGN-WBVHZDCISA-N 2 1 294.483 3.188 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000429527603 277188965 /nfs/dbraw/zinc/18/89/65/277188965.db2.gz MVEMSXQFVBXXGN-WBVHZDCISA-N 2 1 294.483 3.188 20 0 CGADMP COC1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000373903620 277193464 /nfs/dbraw/zinc/19/34/64/277193464.db2.gz LNWXEECZOHALGD-IIIMJFFVSA-N 2 1 294.483 3.331 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@H](C)[C@@H]3C)CCCC2)CC1 ZINC000495090311 277194335 /nfs/dbraw/zinc/19/43/35/277194335.db2.gz HVTRCMJHCUNWKE-YQQAZPJKSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000414060787 277217675 /nfs/dbraw/zinc/21/76/75/277217675.db2.gz JZFPIISYWCEOIF-NUEKZKHPSA-N 2 1 294.483 3.043 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000251347187 277280127 /nfs/dbraw/zinc/28/01/27/277280127.db2.gz FLUOHOSPQODXNT-NEPJUHHUSA-N 2 1 286.341 3.308 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334998175 277283447 /nfs/dbraw/zinc/28/34/47/277283447.db2.gz LNCUGUQCSVCCER-MLGOLLRUSA-N 2 1 278.827 3.259 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334998175 277283448 /nfs/dbraw/zinc/28/34/48/277283448.db2.gz LNCUGUQCSVCCER-MLGOLLRUSA-N 2 1 278.827 3.259 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000459530338 277706375 /nfs/dbraw/zinc/70/63/75/277706375.db2.gz PJCAPFIBKXBCQF-ILXRZTDVSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000166393015 278027981 /nfs/dbraw/zinc/02/79/81/278027981.db2.gz IAUWAJQRCDQRFA-CKEIUWERSA-N 2 1 272.436 3.481 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000166393015 278027985 /nfs/dbraw/zinc/02/79/85/278027985.db2.gz IAUWAJQRCDQRFA-CKEIUWERSA-N 2 1 272.436 3.481 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268999252 278137404 /nfs/dbraw/zinc/13/74/04/278137404.db2.gz JDEGJPBMWDIXFK-ZMSDIMECSA-N 2 1 292.492 3.381 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268999252 278137405 /nfs/dbraw/zinc/13/74/05/278137405.db2.gz JDEGJPBMWDIXFK-ZMSDIMECSA-N 2 1 292.492 3.381 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414939725 278168486 /nfs/dbraw/zinc/16/84/86/278168486.db2.gz ZXPOVLFCTKJRSL-VXGBXAGGSA-N 2 1 280.378 3.475 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000423323674 278184517 /nfs/dbraw/zinc/18/45/17/278184517.db2.gz KAVJNRFRUNLQPS-QMTHXVAHSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000397269643 288022558 /nfs/dbraw/zinc/02/25/58/288022558.db2.gz MECQVUCZYVNNNB-KEYYUXOJSA-N 2 1 283.419 3.040 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)s1 ZINC000397281354 288022596 /nfs/dbraw/zinc/02/25/96/288022596.db2.gz APMPDIZUMOMZMD-HFAKWTLXSA-N 2 1 266.454 3.170 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C\c2ccccc2)C[C@H]1C[NH3+] ZINC000397399766 288023511 /nfs/dbraw/zinc/02/35/11/288023511.db2.gz QPIUGDQNVBMDPD-GZKHJMOKSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000397396390 288023548 /nfs/dbraw/zinc/02/35/48/288023548.db2.gz PHNHAJVJMRXLNL-HZSPNIEDSA-N 2 1 272.392 3.238 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000449075870 278253964 /nfs/dbraw/zinc/25/39/64/278253964.db2.gz WKODGPGLSVYVDH-KEYYUXOJSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358452281 278308718 /nfs/dbraw/zinc/30/87/18/278308718.db2.gz PEWSNIMVIXFELH-OLZOCXBDSA-N 2 1 298.377 3.233 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358452281 278308719 /nfs/dbraw/zinc/30/87/19/278308719.db2.gz PEWSNIMVIXFELH-OLZOCXBDSA-N 2 1 298.377 3.233 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000367056978 278341863 /nfs/dbraw/zinc/34/18/63/278341863.db2.gz DSAJVNCFJJWVEA-DLBZAZTESA-N 2 1 294.483 3.047 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)c2sccc21 ZINC000334542770 278378645 /nfs/dbraw/zinc/37/86/45/278378645.db2.gz NBULMXOPRZOLEI-SMDDNHRTSA-N 2 1 264.438 3.370 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459385831 288087283 /nfs/dbraw/zinc/08/72/83/288087283.db2.gz GKXNHVQRNICGNA-IPJUCJBFSA-N 2 1 286.463 3.428 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459596449 288099757 /nfs/dbraw/zinc/09/97/57/288099757.db2.gz USRIQCMTOQHQEU-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459596449 288099758 /nfs/dbraw/zinc/09/97/58/288099758.db2.gz USRIQCMTOQHQEU-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459596449 288099760 /nfs/dbraw/zinc/09/97/60/288099760.db2.gz USRIQCMTOQHQEU-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000292535754 279099644 /nfs/dbraw/zinc/09/96/44/279099644.db2.gz XIQZMJGKZVBDQH-XJKSGUPXSA-N 2 1 296.480 3.072 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000155306933 288101575 /nfs/dbraw/zinc/10/15/75/288101575.db2.gz SCLRWBLJPPMIEV-KEYYUXOJSA-N 2 1 290.426 3.176 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)CC(C)C ZINC000507471257 279165053 /nfs/dbraw/zinc/16/50/53/279165053.db2.gz OTWVAYBPCJKAKO-ZACQAIPSSA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000353578815 279383028 /nfs/dbraw/zinc/38/30/28/279383028.db2.gz SQZACKYUDNSBRH-HIFPTAJRSA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000353578815 279383030 /nfs/dbraw/zinc/38/30/30/279383030.db2.gz SQZACKYUDNSBRH-HIFPTAJRSA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000311805551 279383861 /nfs/dbraw/zinc/38/38/61/279383861.db2.gz AJYOTZHRJXRIBP-KGLIPLIRSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000311805551 279383864 /nfs/dbraw/zinc/38/38/64/279383864.db2.gz AJYOTZHRJXRIBP-KGLIPLIRSA-N 2 1 266.404 3.075 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC(F)(F)CC1 ZINC000353281634 279454522 /nfs/dbraw/zinc/45/45/22/279454522.db2.gz ZOBNOAVHVHOXIR-LBPRGKRZSA-N 2 1 286.410 3.417 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000521830781 288140122 /nfs/dbraw/zinc/14/01/22/288140122.db2.gz TXKYSMCCWYCULB-UHFFFAOYSA-N 2 1 288.439 3.165 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000521830781 288140126 /nfs/dbraw/zinc/14/01/26/288140126.db2.gz TXKYSMCCWYCULB-UHFFFAOYSA-N 2 1 288.439 3.165 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000335511774 279536285 /nfs/dbraw/zinc/53/62/85/279536285.db2.gz JMHCBWBTKPPMRL-JQWIXIFHSA-N 2 1 270.779 3.272 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880599 279635072 /nfs/dbraw/zinc/63/50/72/279635072.db2.gz QMZJGWRBOCNXHC-RDJZCZTQSA-N 2 1 289.467 3.366 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000527233004 288158754 /nfs/dbraw/zinc/15/87/54/288158754.db2.gz WQDZBVXNVOCFLK-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C/C(Cl)=C/C[N@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000528460069 288201782 /nfs/dbraw/zinc/20/17/82/288201782.db2.gz QMUSDJPEMLEHIO-YRBHFNIASA-N 2 1 293.842 3.460 20 0 CGADMP C/C(Cl)=C/C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000528460069 288201784 /nfs/dbraw/zinc/20/17/84/288201784.db2.gz QMUSDJPEMLEHIO-YRBHFNIASA-N 2 1 293.842 3.460 20 0 CGADMP C[C@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271346878 280135669 /nfs/dbraw/zinc/13/56/69/280135669.db2.gz XWMXHXWTZRBMEP-STQMWFEESA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271346878 280135671 /nfs/dbraw/zinc/13/56/71/280135671.db2.gz XWMXHXWTZRBMEP-STQMWFEESA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2ccsc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000271346878 280135675 /nfs/dbraw/zinc/13/56/75/280135675.db2.gz XWMXHXWTZRBMEP-STQMWFEESA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2ccsc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000271346878 280135677 /nfs/dbraw/zinc/13/56/77/280135677.db2.gz XWMXHXWTZRBMEP-STQMWFEESA-N 2 1 264.438 3.152 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415134926 280238808 /nfs/dbraw/zinc/23/88/08/280238808.db2.gz WLAAAYPDXZIMCF-SZMVWBNQSA-N 2 1 274.452 3.343 20 0 CGADMP CC(C)[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccnc1 ZINC000423175133 280324496 /nfs/dbraw/zinc/32/44/96/280324496.db2.gz DDRTTWSNKYSPBS-HNNXBMFYSA-N 2 1 261.413 3.030 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@H]4CC[N@H+](C)C[C@H]43)c2c1 ZINC000354591481 281170301 /nfs/dbraw/zinc/17/03/01/281170301.db2.gz HEOOCDBMLOTVSZ-RDTXWAMCSA-N 2 1 281.403 3.074 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423531070 281272992 /nfs/dbraw/zinc/27/29/92/281272992.db2.gz QCLPXKMUPQCGJG-SJORKVTESA-N 2 1 258.409 3.089 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649283 281356186 /nfs/dbraw/zinc/35/61/86/281356186.db2.gz GGQIDZCHARMEJX-HUUCEWRRSA-N 2 1 258.409 3.130 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C(C)C)C1CC1)[NH+](C)C ZINC000532458858 288362161 /nfs/dbraw/zinc/36/21/61/288362161.db2.gz RLIJWXMTWGCEDI-JKSUJKDBSA-N 2 1 254.462 3.377 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000549860879 289056898 /nfs/dbraw/zinc/05/68/98/289056898.db2.gz SVSAOVRMCWONFW-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000549860879 289056904 /nfs/dbraw/zinc/05/69/04/289056904.db2.gz SVSAOVRMCWONFW-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000549860879 289056907 /nfs/dbraw/zinc/05/69/07/289056907.db2.gz SVSAOVRMCWONFW-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)[C@@H](C)C1 ZINC000552043704 289153869 /nfs/dbraw/zinc/15/38/69/289153869.db2.gz ZLMAIWBEAUDGHY-XLAORIBOSA-N 2 1 296.499 3.148 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000552235472 289173666 /nfs/dbraw/zinc/17/36/66/289173666.db2.gz IPNSSTNUWWSWHV-UHOSZYNNSA-N 2 1 284.447 3.429 20 0 CGADMP CC(C)C[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000552281252 289177862 /nfs/dbraw/zinc/17/78/62/289177862.db2.gz NWQZOQJOBAOPSK-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554048910 289253091 /nfs/dbraw/zinc/25/30/91/289253091.db2.gz DYWAZFWSXYFKLF-DLBZAZTESA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000554820542 289311294 /nfs/dbraw/zinc/31/12/94/289311294.db2.gz OOXGFTFDCPKDKH-INIZCTEOSA-N 2 1 278.415 3.347 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000554820542 289311295 /nfs/dbraw/zinc/31/12/95/289311295.db2.gz OOXGFTFDCPKDKH-INIZCTEOSA-N 2 1 278.415 3.347 20 0 CGADMP C[C@H](CC[NH2+]CC1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555531397 289348472 /nfs/dbraw/zinc/34/84/72/289348472.db2.gz ZPGJQRQXUDIKOD-OAHLLOKOSA-N 2 1 260.425 3.287 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000561771500 289654311 /nfs/dbraw/zinc/65/43/11/289654311.db2.gz FRKKOGDCPGATER-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169635 290246874 /nfs/dbraw/zinc/24/68/74/290246874.db2.gz RQPDGZXEVMJUKI-CHWSQXEVSA-N 2 1 266.816 3.462 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000581847356 336151226 /nfs/dbraw/zinc/15/12/26/336151226.db2.gz GSTDDVVHQSQNPH-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000581847356 336151227 /nfs/dbraw/zinc/15/12/27/336151227.db2.gz GSTDDVVHQSQNPH-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP [NH3+]CCC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000414761192 295229875 /nfs/dbraw/zinc/22/98/75/295229875.db2.gz SKQNRASWIQKEKH-IBGZPJMESA-N 2 1 280.415 3.177 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])C(C)C)CCCS2 ZINC000423282729 295274848 /nfs/dbraw/zinc/27/48/48/295274848.db2.gz WDCKPTFOOFCAQI-LSDHHAIUSA-N 2 1 294.464 3.195 20 0 CGADMP CSC1(C[NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCC1 ZINC000311361869 295581823 /nfs/dbraw/zinc/58/18/23/295581823.db2.gz BELOCWAARMSYTG-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])c2ccccc2O1 ZINC000423159016 297287470 /nfs/dbraw/zinc/28/74/70/297287470.db2.gz OMMSFCYXWLVOFN-DMRZNYOFSA-N 2 1 274.408 3.148 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000151950452 301211645 /nfs/dbraw/zinc/21/16/45/301211645.db2.gz OPUKXFNFAHZZBM-MRXNPFEDSA-N 2 1 276.424 3.058 20 0 CGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401760270 321969340 /nfs/dbraw/zinc/96/93/40/321969340.db2.gz UQWGCWIDKCAGLC-HUUCEWRRSA-N 2 1 263.429 3.157 20 0 CGADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(F)c1 ZINC000404645127 321971146 /nfs/dbraw/zinc/97/11/46/321971146.db2.gz FXISWOKLALOYGR-UHFFFAOYSA-N 2 1 294.414 3.233 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000565282527 322071595 /nfs/dbraw/zinc/07/15/95/322071595.db2.gz AHOVZCFFRNKVDV-UKRRQHHQSA-N 2 1 266.454 3.095 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000567298881 322158359 /nfs/dbraw/zinc/15/83/59/322158359.db2.gz VPADQRYEPBJAJN-XLAORIBOSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000567298881 322158360 /nfs/dbraw/zinc/15/83/60/322158360.db2.gz VPADQRYEPBJAJN-XLAORIBOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000568051404 322189939 /nfs/dbraw/zinc/18/99/39/322189939.db2.gz JARLJRKIJXXWAY-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000568408916 322208114 /nfs/dbraw/zinc/20/81/14/322208114.db2.gz IJNNDBGUXUSAHH-UHFFFAOYSA-N 2 1 261.413 3.031 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000568408916 322208116 /nfs/dbraw/zinc/20/81/16/322208116.db2.gz IJNNDBGUXUSAHH-UHFFFAOYSA-N 2 1 261.413 3.031 20 0 CGADMP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568510598 322211862 /nfs/dbraw/zinc/21/18/62/322211862.db2.gz VMASZQUUJPAHLN-INIZCTEOSA-N 2 1 258.409 3.183 20 0 CGADMP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568510598 322211863 /nfs/dbraw/zinc/21/18/63/322211863.db2.gz VMASZQUUJPAHLN-INIZCTEOSA-N 2 1 258.409 3.183 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(Cl)c1 ZINC000568632350 322216493 /nfs/dbraw/zinc/21/64/93/322216493.db2.gz PHLIFSNLCMEFRQ-ZJUUUORDSA-N 2 1 258.768 3.003 20 0 CGADMP c1ccc2c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)noc2c1 ZINC000568900932 322227348 /nfs/dbraw/zinc/22/73/48/322227348.db2.gz HREZSADPXYXFSL-CWRNSKLLSA-N 2 1 299.418 3.228 20 0 CGADMP c1cncc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000569010392 322231641 /nfs/dbraw/zinc/23/16/41/322231641.db2.gz JZCRORAKWGMAHF-LJQANCHMSA-N 2 1 293.414 3.064 20 0 CGADMP CCCCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000569038904 322232705 /nfs/dbraw/zinc/23/27/05/322232705.db2.gz LUDAIGWVJFMRKW-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CCCCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000569038904 322232706 /nfs/dbraw/zinc/23/27/06/322232706.db2.gz LUDAIGWVJFMRKW-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000570605073 322277638 /nfs/dbraw/zinc/27/76/38/322277638.db2.gz PCPDLSRRXCASRD-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@]1(C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[NH2+]C1 ZINC000570719357 322280587 /nfs/dbraw/zinc/28/05/87/322280587.db2.gz MNVJHKBZCZHILF-QGZVFWFLSA-N 2 1 294.389 3.144 20 0 CGADMP C[C@H]([NH+](C)CC(O)C[N@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910224 322285358 /nfs/dbraw/zinc/28/53/58/322285358.db2.gz DKTIWRCRCJSCLM-KBPBESRZSA-N 2 1 286.504 3.080 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000571257439 322294155 /nfs/dbraw/zinc/29/41/55/322294155.db2.gz MEGNANVTMIBLND-KZNAEPCWSA-N 2 1 290.426 3.379 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000571299502 322295312 /nfs/dbraw/zinc/29/53/12/322295312.db2.gz SVDBODGFFDSYAR-RXABAKJHSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000571299502 322295313 /nfs/dbraw/zinc/29/53/13/322295313.db2.gz SVDBODGFFDSYAR-RXABAKJHSA-N 2 1 284.447 3.428 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000571575898 322302238 /nfs/dbraw/zinc/30/22/38/322302238.db2.gz OOSHJDCSKJGPSA-GOEBONIOSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000571575898 322302240 /nfs/dbraw/zinc/30/22/40/322302240.db2.gz OOSHJDCSKJGPSA-GOEBONIOSA-N 2 1 264.457 3.395 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CC[N@H+]1C ZINC000394574305 329123205 /nfs/dbraw/zinc/12/32/05/329123205.db2.gz OBVGMFOQVYJGSL-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000174629717 335161014 /nfs/dbraw/zinc/16/10/14/335161014.db2.gz PZQSKJFDNHQWHL-CRAIPNDOSA-N 2 1 290.451 3.294 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCCCC2)[C@H](C)C1 ZINC000174770032 335165975 /nfs/dbraw/zinc/16/59/75/335165975.db2.gz HRZYMHMKZQYLQW-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCCCC2)[C@H](C)C1 ZINC000174770032 335165977 /nfs/dbraw/zinc/16/59/77/335165977.db2.gz HRZYMHMKZQYLQW-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCCCC2)[C@H](C)C1 ZINC000174770032 335165979 /nfs/dbraw/zinc/16/59/79/335165979.db2.gz HRZYMHMKZQYLQW-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576397245 335198176 /nfs/dbraw/zinc/19/81/76/335198176.db2.gz ZLKHUPYSZSNLFP-RCCFBDPRSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCC1 ZINC000577498822 335359916 /nfs/dbraw/zinc/35/99/16/335359916.db2.gz GBKKYXJPILZAMS-UHFFFAOYSA-N 2 1 272.436 3.485 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000577870428 335415288 /nfs/dbraw/zinc/41/52/88/335415288.db2.gz DXSAMVOQWOAOFF-ZJUUUORDSA-N 2 1 266.772 3.302 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000578022964 335463828 /nfs/dbraw/zinc/46/38/28/335463828.db2.gz KPYDSKUMOTXSJE-IEBWSBKVSA-N 2 1 297.446 3.354 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000579108522 335709904 /nfs/dbraw/zinc/70/99/04/335709904.db2.gz WQKAZSMAVHTKHT-AWEZNQCLSA-N 2 1 264.413 3.042 20 0 CGADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccoc1 ZINC000183952862 335913761 /nfs/dbraw/zinc/91/37/61/335913761.db2.gz RFCDWLPPPKBEEP-CYBMUJFWSA-N 2 1 250.386 3.052 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000581279876 336035989 /nfs/dbraw/zinc/03/59/89/336035989.db2.gz LVAKGBYGNHUQHO-LSDHHAIUSA-N 2 1 266.429 3.311 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000581279876 336035991 /nfs/dbraw/zinc/03/59/91/336035991.db2.gz LVAKGBYGNHUQHO-LSDHHAIUSA-N 2 1 266.429 3.311 20 0 CGADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000194887858 336040209 /nfs/dbraw/zinc/04/02/09/336040209.db2.gz LSAXQBBSVRMZHP-RHSMWYFYSA-N 2 1 288.435 3.004 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000195653537 336057512 /nfs/dbraw/zinc/05/75/12/336057512.db2.gz PJTIWHGSFAEBOU-RGYNNNPXSA-N 2 1 276.468 3.133 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1c(F)cccc1Cl ZINC000581436860 336077563 /nfs/dbraw/zinc/07/75/63/336077563.db2.gz FDJUPYSUXNYFMW-RYUDHWBXSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1c(F)cccc1Cl ZINC000581436860 336077564 /nfs/dbraw/zinc/07/75/64/336077564.db2.gz FDJUPYSUXNYFMW-RYUDHWBXSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000386515696 336175814 /nfs/dbraw/zinc/17/58/14/336175814.db2.gz MWDGAZYIOXLMDP-MGPQQGTHSA-N 2 1 254.462 3.377 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCCCn2cc[nH+]c2C)C[C@@H]1OC ZINC000181809512 500650985 /nfs/dbraw/zinc/65/09/85/500650985.db2.gz XBJOOCXQMABXLC-CVEARBPZSA-N 2 1 293.455 3.155 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423307379 533771691 /nfs/dbraw/zinc/77/16/91/533771691.db2.gz NBEOBRPVTLBWDO-QWRGUYRKSA-N 2 1 293.411 3.195 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423333417 533890432 /nfs/dbraw/zinc/89/04/32/533890432.db2.gz PSIACNRMGXNVSY-NHYWBVRUSA-N 2 1 268.351 3.005 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000424372889 533913527 /nfs/dbraw/zinc/91/35/27/533913527.db2.gz GBHOJFMURBCGJZ-CQSZACIVSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1csc(Cl)c1 ZINC000423375894 534007248 /nfs/dbraw/zinc/00/72/48/534007248.db2.gz IZXRGPVMCAWWGA-YWVKMMECSA-N 2 1 258.818 3.193 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000103173869 534067999 /nfs/dbraw/zinc/06/79/99/534067999.db2.gz VVZMARYHLLKBFF-GOSISDBHSA-N 2 1 298.430 3.242 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000103173869 534068000 /nfs/dbraw/zinc/06/80/00/534068000.db2.gz VVZMARYHLLKBFF-GOSISDBHSA-N 2 1 298.430 3.242 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C)CC1 ZINC000449061370 534163486 /nfs/dbraw/zinc/16/34/86/534163486.db2.gz IHIAUESTKFROSX-CYBMUJFWSA-N 2 1 272.392 3.048 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423514875 534266665 /nfs/dbraw/zinc/26/66/65/534266665.db2.gz XAHWZKZOYFSOCQ-GUYCJALGSA-N 2 1 286.419 3.471 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000088296531 519438005 /nfs/dbraw/zinc/43/80/05/519438005.db2.gz SEJGYMQVKVSTRJ-UHFFFAOYSA-N 2 1 260.425 3.069 20 0 CGADMP Cc1ccc2cc([C@@H](C)[NH2+]CCC[NH+](C)C)oc2c1 ZINC000425928526 534472285 /nfs/dbraw/zinc/47/22/85/534472285.db2.gz YKGDBLAGWBHSJH-CYBMUJFWSA-N 2 1 260.381 3.344 20 0 CGADMP c1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCCC2)cc1 ZINC000423246684 534501377 /nfs/dbraw/zinc/50/13/77/534501377.db2.gz ZSAJIXNEMONUPZ-SJORKVTESA-N 2 1 258.409 3.260 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000037643756 521710338 /nfs/dbraw/zinc/71/03/38/521710338.db2.gz VLNJRQTTZKWMPL-LBPRGKRZSA-N 2 1 286.341 3.137 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Sc2ccccc2)[C@H](C)C1 ZINC000129710689 521715124 /nfs/dbraw/zinc/71/51/24/521715124.db2.gz FTPWXMSGEOTARI-BFYDXBDKSA-N 2 1 292.492 3.487 20 0 CGADMP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)c1 ZINC000423168876 534647772 /nfs/dbraw/zinc/64/77/72/534647772.db2.gz VDLLKWIJWFWHNV-KBMXLJTQSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC000088164139 524430713 /nfs/dbraw/zinc/43/07/13/524430713.db2.gz USKPAPNLOAZLRL-AYHJJNSGSA-N 2 1 272.436 3.408 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000088163827 525403828 /nfs/dbraw/zinc/40/38/28/525403828.db2.gz CMMADHOUCNTDDQ-FCLXEUQJSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000088163827 525403834 /nfs/dbraw/zinc/40/38/34/525403834.db2.gz CMMADHOUCNTDDQ-FCLXEUQJSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cnc2ccsc2c1 ZINC000156579415 525616346 /nfs/dbraw/zinc/61/63/46/525616346.db2.gz XYPSTFCQUBHVOO-DYEKYZERSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cnc2ccsc2c1 ZINC000156579415 525616351 /nfs/dbraw/zinc/61/63/51/525616351.db2.gz XYPSTFCQUBHVOO-DYEKYZERSA-N 2 1 289.448 3.430 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000513111929 534910829 /nfs/dbraw/zinc/91/08/29/534910829.db2.gz PJFNIWVRDZVZJO-YOEHRIQHSA-N 2 1 278.415 3.393 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000513111929 534910833 /nfs/dbraw/zinc/91/08/33/534910833.db2.gz PJFNIWVRDZVZJO-YOEHRIQHSA-N 2 1 278.415 3.393 20 0 CGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cc[nH]c3)C2)c1 ZINC000086252296 526580979 /nfs/dbraw/zinc/58/09/79/526580979.db2.gz KVDKVHGSFOKTEV-HNNXBMFYSA-N 2 1 289.448 3.078 20 0 CGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cc[nH]c3)C2)c1 ZINC000086252296 526580985 /nfs/dbraw/zinc/58/09/85/526580985.db2.gz KVDKVHGSFOKTEV-HNNXBMFYSA-N 2 1 289.448 3.078 20 0 CGADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423342917 527447051 /nfs/dbraw/zinc/44/70/51/527447051.db2.gz ZLUBTWTVWSKKSH-JKSUJKDBSA-N 2 1 290.451 3.290 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368874629 527533855 /nfs/dbraw/zinc/53/38/55/527533855.db2.gz HONMGOUNOJATQN-HRSGCLKMSA-N 2 1 270.420 3.306 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC000449028976 527755520 /nfs/dbraw/zinc/75/55/20/527755520.db2.gz NPPVZXDYKJYYHS-CZUORRHYSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC000449028976 527755525 /nfs/dbraw/zinc/75/55/25/527755525.db2.gz NPPVZXDYKJYYHS-CZUORRHYSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC000449028976 527755528 /nfs/dbraw/zinc/75/55/28/527755528.db2.gz NPPVZXDYKJYYHS-CZUORRHYSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC000449028976 527755532 /nfs/dbraw/zinc/75/55/32/527755532.db2.gz NPPVZXDYKJYYHS-CZUORRHYSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(C)C)C1 ZINC000449092599 527815413 /nfs/dbraw/zinc/81/54/13/527815413.db2.gz UUPTZWTVVWWGQV-MRXNPFEDSA-N 2 1 290.451 3.153 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCC(C)C)C1 ZINC000449092599 527815418 /nfs/dbraw/zinc/81/54/18/527815418.db2.gz UUPTZWTVVWWGQV-MRXNPFEDSA-N 2 1 290.451 3.153 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000358337933 527967192 /nfs/dbraw/zinc/96/71/92/527967192.db2.gz GCLOZMGVWKTBCI-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000358337933 527967198 /nfs/dbraw/zinc/96/71/98/527967198.db2.gz GCLOZMGVWKTBCI-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000480671484 528171407 /nfs/dbraw/zinc/17/14/07/528171407.db2.gz NAVSJFNHYYLTRQ-WMLDXEAASA-N 2 1 260.425 3.382 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414963482 528422588 /nfs/dbraw/zinc/42/25/88/528422588.db2.gz TYQUGVRMUJGZOY-VXGBXAGGSA-N 2 1 288.357 3.224 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1occc1C ZINC000412026301 528475202 /nfs/dbraw/zinc/47/52/02/528475202.db2.gz LFFVTRCGOIGHQZ-UHFFFAOYSA-N 2 1 261.369 3.005 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1occc1C ZINC000412026301 528475206 /nfs/dbraw/zinc/47/52/06/528475206.db2.gz LFFVTRCGOIGHQZ-UHFFFAOYSA-N 2 1 261.369 3.005 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423266462 528519840 /nfs/dbraw/zinc/51/98/40/528519840.db2.gz SCLKXRSAVWOABP-GDBMZVCRSA-N 2 1 264.388 3.166 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423371326 528573537 /nfs/dbraw/zinc/57/35/37/528573537.db2.gz QEAOXBIXYUHDEN-FZMZJTMJSA-N 2 1 254.805 3.364 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(F)ccc1F ZINC000423562600 528585776 /nfs/dbraw/zinc/58/57/76/528585776.db2.gz QUGUDEOGTABXJJ-MRXNPFEDSA-N 2 1 282.378 3.394 20 0 CGADMP CCOc1ccc([C@@H](CC)[NH2+]C[C@H]([NH3+])CC)cc1OCC ZINC000423483602 528598479 /nfs/dbraw/zinc/59/84/79/528598479.db2.gz YAJVYWGVEQKCLY-HUUCEWRRSA-N 2 1 294.439 3.262 20 0 CGADMP CCC(C)(C)[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420373223 528600272 /nfs/dbraw/zinc/60/02/72/528600272.db2.gz MGSDKYRPTJUXMZ-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423263595 528725139 /nfs/dbraw/zinc/72/51/39/528725139.db2.gz BDMHMVWKZXVEAY-BBRMVZONSA-N 2 1 264.413 3.109 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423328693 528725387 /nfs/dbraw/zinc/72/53/87/528725387.db2.gz ODSUOIOUJURADE-ZDUSSCGKSA-N 2 1 262.397 3.007 20 0 CGADMP CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367620915 528733213 /nfs/dbraw/zinc/73/32/13/528733213.db2.gz ZBKMPYCNSBMCRG-BRWVUGGUSA-N 2 1 288.435 3.048 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000423298629 528821349 /nfs/dbraw/zinc/82/13/49/528821349.db2.gz OXJTZQHFZKVUNO-GOEBONIOSA-N 2 1 276.424 3.316 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000423301723 528822090 /nfs/dbraw/zinc/82/20/90/528822090.db2.gz URGLDLXRBBZDQX-WMZOPIPTSA-N 2 1 290.451 3.123 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000423293758 528823346 /nfs/dbraw/zinc/82/33/46/528823346.db2.gz ARJGUQAJJCUPCR-LSDHHAIUSA-N 2 1 252.377 3.384 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000423283457 528954300 /nfs/dbraw/zinc/95/43/00/528954300.db2.gz FFLZYDKUXMJFNI-AWEZNQCLSA-N 2 1 262.397 3.007 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423297581 528954506 /nfs/dbraw/zinc/95/45/06/528954506.db2.gz KXCAVBKRMHXHSP-SWLSCSKDSA-N 2 1 284.394 3.393 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000414292183 528989315 /nfs/dbraw/zinc/98/93/15/528989315.db2.gz BSNDMSPWKULMPK-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCc1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358503956 529039574 /nfs/dbraw/zinc/03/95/74/529039574.db2.gz GJDPSPNHNVWACV-UHFFFAOYSA-N 2 1 293.480 3.061 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000437758252 529086482 /nfs/dbraw/zinc/08/64/82/529086482.db2.gz AWUHFKXWDHPQTQ-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CCC1 ZINC000449132528 529175964 /nfs/dbraw/zinc/17/59/64/529175964.db2.gz UWBQNCPROPBPSC-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Cl)s1 ZINC000423263313 529178787 /nfs/dbraw/zinc/17/87/87/529178787.db2.gz AWAJWFSPGKHZJM-VHSXEESVSA-N 2 1 260.834 3.426 20 0 CGADMP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366219564 529180776 /nfs/dbraw/zinc/18/07/76/529180776.db2.gz BBZXQGAGUMTAOX-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423336213 529205337 /nfs/dbraw/zinc/20/53/37/529205337.db2.gz UDKXYVGGEGALJB-SJKOYZFVSA-N 2 1 272.392 3.236 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCc2cccc(Cl)c2)CC1 ZINC000459315736 535456774 /nfs/dbraw/zinc/45/67/74/535456774.db2.gz SBOZOXURKIGWCE-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCc2cccc(Cl)c2)CC1 ZINC000459315736 535456778 /nfs/dbraw/zinc/45/67/78/535456778.db2.gz SBOZOXURKIGWCE-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000226013978 572343586 /nfs/dbraw/zinc/34/35/86/572343586.db2.gz BHJYPNVJEQLRNY-DOTOQJQBSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225878160 572343968 /nfs/dbraw/zinc/34/39/68/572343968.db2.gz QPIVKKDIZWUJEO-UNEWFSDZSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225878160 572343972 /nfs/dbraw/zinc/34/39/72/572343972.db2.gz QPIVKKDIZWUJEO-UNEWFSDZSA-N 2 1 276.399 3.351 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000045690978 572357446 /nfs/dbraw/zinc/35/74/46/572357446.db2.gz CYEYVNUBKILGCB-CABCVRRESA-N 2 1 278.440 3.033 20 0 CGADMP CSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000300570837 617797005 /nfs/dbraw/zinc/79/70/05/617797005.db2.gz PJXBLVYVOGZAEF-GJZGRUSLSA-N 2 1 282.497 3.269 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245198 618081878 /nfs/dbraw/zinc/08/18/78/618081878.db2.gz RPAQXFFWTNBLDG-BXUZGUMPSA-N 2 1 297.240 3.181 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245198 618081881 /nfs/dbraw/zinc/08/18/81/618081881.db2.gz RPAQXFFWTNBLDG-BXUZGUMPSA-N 2 1 297.240 3.181 20 0 CGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000050247575 618083528 /nfs/dbraw/zinc/08/35/28/618083528.db2.gz ANNIIIGDJIDSKU-JTQLQIEISA-N 2 1 280.824 3.335 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000050247575 618083532 /nfs/dbraw/zinc/08/35/32/618083532.db2.gz ANNIIIGDJIDSKU-JTQLQIEISA-N 2 1 280.824 3.335 20 0 CGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC000891676882 618245675 /nfs/dbraw/zinc/24/56/75/618245675.db2.gz CJWPWGQTYSDSPJ-MRXNPFEDSA-N 2 1 290.451 3.038 20 0 CGADMP Fc1ccc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261984032 618369300 /nfs/dbraw/zinc/36/93/00/618369300.db2.gz JMGQPCTVHZMXBY-UHFFFAOYSA-N 2 1 282.790 3.055 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106396 618534953 /nfs/dbraw/zinc/53/49/53/618534953.db2.gz UWPDSXRGXCIPOQ-MAUKXSAKSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106396 618534955 /nfs/dbraw/zinc/53/49/55/618534955.db2.gz UWPDSXRGXCIPOQ-MAUKXSAKSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106396 618534963 /nfs/dbraw/zinc/53/49/63/618534963.db2.gz UWPDSXRGXCIPOQ-MAUKXSAKSA-N 2 1 290.451 3.166 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2o1)C1CCC([NH3+])CC1 ZINC000091844671 618737362 /nfs/dbraw/zinc/73/73/62/618737362.db2.gz JOBFNXFDYIWPRG-UHFFFAOYSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1coc(-c2cccs2)n1)C1CCC([NH3+])CC1 ZINC000091847094 618737606 /nfs/dbraw/zinc/73/76/06/618737606.db2.gz YSFQDQIJYHDBOM-UHFFFAOYSA-N 2 1 291.420 3.105 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CC3(C2)COC(C)(C)C3)CCCCC1 ZINC000924559036 618831691 /nfs/dbraw/zinc/83/16/91/618831691.db2.gz GSBIRNDFMVOJFI-UHFFFAOYSA-N 2 1 294.483 3.188 20 0 CGADMP CCCSC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000892944561 618959583 /nfs/dbraw/zinc/95/95/83/618959583.db2.gz RZQFYUHBPVMQHR-HUUCEWRRSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925661903 619116577 /nfs/dbraw/zinc/11/65/77/619116577.db2.gz FEXOJRCKHHBPCQ-KCQAQPDRSA-N 2 1 282.378 3.490 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000925703240 619152899 /nfs/dbraw/zinc/15/28/99/619152899.db2.gz CIPCVBHSVHMNQA-UHFFFAOYSA-N 2 1 288.460 3.161 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)CCC2 ZINC000925776979 619239619 /nfs/dbraw/zinc/23/96/19/619239619.db2.gz BMGBDTHRYPYMFL-BLLLJJGKSA-N 2 1 294.389 3.071 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000925780064 619242630 /nfs/dbraw/zinc/24/26/30/619242630.db2.gz RKKOYYSWAPFAGP-JSGCOSHPSA-N 2 1 286.341 3.111 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCCC1 ZINC000925793103 619250842 /nfs/dbraw/zinc/25/08/42/619250842.db2.gz HRZCJHLTQUODRQ-SJORKVTESA-N 2 1 294.483 3.094 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCC(C)(F)F ZINC000931765413 619251290 /nfs/dbraw/zinc/25/12/90/619251290.db2.gz XCTAGMXEAVSMGK-ZDUSSCGKSA-N 2 1 283.366 3.028 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1OC ZINC000925825918 619274075 /nfs/dbraw/zinc/27/40/75/619274075.db2.gz CBNAYCPYNKUYSA-UKRRQHHQSA-N 2 1 280.387 3.017 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2nccc3c2CCCC3)CC1 ZINC000893859070 619323169 /nfs/dbraw/zinc/32/31/69/619323169.db2.gz VOGSMGMJLFHSNJ-UHFFFAOYSA-N 2 1 299.462 3.021 20 0 CGADMP C[C@H]([NH2+]Cc1cscn1)c1cccc(C[NH+](C)C)c1 ZINC000924870183 619377396 /nfs/dbraw/zinc/37/73/96/619377396.db2.gz DGANZBDLAQWKGQ-LBPRGKRZSA-N 2 1 275.421 3.056 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261719928 619386669 /nfs/dbraw/zinc/38/66/69/619386669.db2.gz FSFKRAPFUQFXOA-DYVFJYSZSA-N 2 1 272.392 3.425 20 0 CGADMP CC[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251693534 619389378 /nfs/dbraw/zinc/38/93/78/619389378.db2.gz IMXIRZXVWMJABE-HNSVSWJLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261756969 619401292 /nfs/dbraw/zinc/40/12/92/619401292.db2.gz UNZDQHHWPTXUGZ-IBGZPJMESA-N 2 1 278.399 3.427 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000924953210 619459105 /nfs/dbraw/zinc/45/91/05/619459105.db2.gz QIROARBCBLSZFA-WFASDCNBSA-N 2 1 263.429 3.242 20 0 CGADMP CN(Cc1cc(O)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894418102 619529456 /nfs/dbraw/zinc/52/94/56/619529456.db2.gz ZTPRDWIQGNLFBO-YIONKMFJSA-N 2 1 294.826 3.103 20 0 CGADMP CSc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000894748954 619620070 /nfs/dbraw/zinc/62/00/70/619620070.db2.gz VBLYQSRCRZQKSI-FUNVUKJBSA-N 2 1 280.437 3.059 20 0 CGADMP CC(C)n1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895379369 619816477 /nfs/dbraw/zinc/81/64/77/619816477.db2.gz VCWLUUQKPMWVNV-RDJZCZTQSA-N 2 1 292.471 3.016 20 0 CGADMP CC(C)n1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895379369 619816479 /nfs/dbraw/zinc/81/64/79/619816479.db2.gz VCWLUUQKPMWVNV-RDJZCZTQSA-N 2 1 292.471 3.016 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000895553936 619849289 /nfs/dbraw/zinc/84/92/89/619849289.db2.gz NSTNXNRBUIEOCF-KRWDZBQOSA-N 2 1 292.467 3.410 20 0 CGADMP CC1=CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000896724216 620050075 /nfs/dbraw/zinc/05/00/75/620050075.db2.gz VVDZYNQDGMKQHC-SJORKVTESA-N 2 1 273.424 3.163 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000054242087 620086683 /nfs/dbraw/zinc/08/66/83/620086683.db2.gz HOIWPHSCUZUOFL-HIFPTAJRSA-N 2 1 278.362 3.039 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054323 620289448 /nfs/dbraw/zinc/28/94/48/620289448.db2.gz YAAPXKXRWRDOEL-UHFFFAOYSA-N 2 1 298.352 3.422 20 0 CGADMP CC(C)[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897620137 620412992 /nfs/dbraw/zinc/41/29/92/620412992.db2.gz HVSVYNZDVJBKKI-IPMKNSEASA-N 2 1 286.463 3.310 20 0 CGADMP CC(C)[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897620137 620412994 /nfs/dbraw/zinc/41/29/94/620412994.db2.gz HVSVYNZDVJBKKI-IPMKNSEASA-N 2 1 286.463 3.310 20 0 CGADMP CC(C)[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897620137 620412996 /nfs/dbraw/zinc/41/29/96/620412996.db2.gz HVSVYNZDVJBKKI-IPMKNSEASA-N 2 1 286.463 3.310 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000898310612 620510738 /nfs/dbraw/zinc/51/07/38/620510738.db2.gz YFQAWMJFFSUCBI-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000898310612 620510741 /nfs/dbraw/zinc/51/07/41/620510741.db2.gz YFQAWMJFFSUCBI-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP CSC1CC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000924684194 620562244 /nfs/dbraw/zinc/56/22/44/620562244.db2.gz COCWMAUBZCDLJW-NFOMZHRRSA-N 2 1 270.486 3.125 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2cccc(C)c21 ZINC000924712384 620572309 /nfs/dbraw/zinc/57/23/09/620572309.db2.gz IDTCJSZJJOKWLY-MRXNPFEDSA-N 2 1 269.392 3.167 20 0 CGADMP CNc1ccccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000902038022 621107973 /nfs/dbraw/zinc/10/79/73/621107973.db2.gz WHMYRRZFQXBIFM-HNNXBMFYSA-N 2 1 275.440 3.082 20 0 CGADMP CNc1ccccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000902038022 621107975 /nfs/dbraw/zinc/10/79/75/621107975.db2.gz WHMYRRZFQXBIFM-HNNXBMFYSA-N 2 1 275.440 3.082 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@@H]1c1ccccc1 ZINC000902475323 621326031 /nfs/dbraw/zinc/32/60/31/621326031.db2.gz IIVABZXCWNUFNY-NQNKBUKLSA-N 2 1 270.420 3.051 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cncs1 ZINC000902453051 621332166 /nfs/dbraw/zinc/33/21/66/621332166.db2.gz BULARNLUZOERDL-QEJZJMRPSA-N 2 1 287.432 3.287 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H]1c1ccccc1 ZINC000902470981 621341012 /nfs/dbraw/zinc/34/10/12/621341012.db2.gz IIVABZXCWNUFNY-FIDHJVLJSA-N 2 1 270.420 3.051 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000902882548 621482806 /nfs/dbraw/zinc/48/28/06/621482806.db2.gz UFQUKCIAJAHPIQ-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902993964 621514805 /nfs/dbraw/zinc/51/48/05/621514805.db2.gz ZKGQDVVZKIDOKB-NJAFHUGGSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902993964 621514815 /nfs/dbraw/zinc/51/48/15/621514815.db2.gz ZKGQDVVZKIDOKB-NJAFHUGGSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055664 621544930 /nfs/dbraw/zinc/54/49/30/621544930.db2.gz JFYSTBOSMDKYPF-AIDGVLJZSA-N 2 1 262.441 3.313 20 0 CGADMP C[C@H](C[NH2+][C@@H](c1ccccn1)C1CC1)C[NH+]1CCCCC1 ZINC000903071855 621568787 /nfs/dbraw/zinc/56/87/87/621568787.db2.gz BOVYEBFPDLXWSZ-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP CCO[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903105178 621578467 /nfs/dbraw/zinc/57/84/67/621578467.db2.gz RMYZDOLPSWNQJZ-NXCDMZCRSA-N 2 1 294.483 3.185 20 0 CGADMP FC1(F)CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903123554 621589630 /nfs/dbraw/zinc/58/96/30/621589630.db2.gz BPXUPOCRUJFOPI-IKKMQULASA-N 2 1 284.394 3.312 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903132784 621591846 /nfs/dbraw/zinc/59/18/46/621591846.db2.gz XXSLKQNPVWVUHI-ZVRJUHEZSA-N 2 1 299.462 3.452 20 0 CGADMP c1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903134617 621593486 /nfs/dbraw/zinc/59/34/86/621593486.db2.gz FFHOLLMBINMORY-ZNXRZULTSA-N 2 1 282.431 3.423 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903154050 621600131 /nfs/dbraw/zinc/60/01/31/621600131.db2.gz VXKKCYMEMGZHOV-JATKITJMSA-N 2 1 262.441 3.313 20 0 CGADMP Cc1cccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903164964 621609482 /nfs/dbraw/zinc/60/94/82/621609482.db2.gz KRAHDASKNYLPGJ-JLYLLQBASA-N 2 1 299.462 3.070 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000903185007 621617034 /nfs/dbraw/zinc/61/70/34/621617034.db2.gz BRZSSQJIUVFSMM-CSYFQQSISA-N 2 1 264.457 3.272 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903197191 621622041 /nfs/dbraw/zinc/62/20/41/621622041.db2.gz WLZMTINPUGSPMS-MDKVJWTPSA-N 2 1 294.483 3.185 20 0 CGADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC1CCC1 ZINC000903200014 621623864 /nfs/dbraw/zinc/62/38/64/621623864.db2.gz KKZOIHUBXIXFTM-ZXFUBFMLSA-N 2 1 262.441 3.314 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCC12CC2 ZINC000903210508 621630305 /nfs/dbraw/zinc/63/03/05/621630305.db2.gz YTQPHFGHQPSWQX-ZBSSRIJBSA-N 2 1 274.452 3.314 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)c1cccnc1 ZINC000903378543 621721700 /nfs/dbraw/zinc/72/17/00/621721700.db2.gz QPGBAKPOHYAOIF-MVJTYMMSSA-N 2 1 287.451 3.243 20 0 CGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CC1(C)C ZINC000903379767 621722758 /nfs/dbraw/zinc/72/27/58/621722758.db2.gz ILKCKCCPQYJNHW-CWRNSKLLSA-N 2 1 275.440 3.099 20 0 CGADMP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434570 621745113 /nfs/dbraw/zinc/74/51/13/621745113.db2.gz IAZLWUKBFHKESS-HLLBOEOZSA-N 2 1 288.435 3.350 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1F ZINC000903458670 621752210 /nfs/dbraw/zinc/75/22/10/621752210.db2.gz GVBUJUVBTGMWIX-BFQNTYOBSA-N 2 1 282.378 3.251 20 0 CGADMP Fc1cccc(C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C2CC2)c1 ZINC000903722890 621796299 /nfs/dbraw/zinc/79/62/99/621796299.db2.gz FCWRHDROLGEADB-OAHLLOKOSA-N 2 1 276.399 3.180 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903719313 621796437 /nfs/dbraw/zinc/79/64/37/621796437.db2.gz XZDLGXTWCWBIII-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000903723851 621796948 /nfs/dbraw/zinc/79/69/48/621796948.db2.gz YRIVVELMLBOJFJ-LSDHHAIUSA-N 2 1 276.424 3.165 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)n2)CCC1 ZINC000903815567 621809535 /nfs/dbraw/zinc/80/95/35/621809535.db2.gz ROZFTGYDWNXYFQ-AWEZNQCLSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cccc(Cl)n2)CCC1 ZINC000903815567 621809537 /nfs/dbraw/zinc/80/95/37/621809537.db2.gz ROZFTGYDWNXYFQ-AWEZNQCLSA-N 2 1 293.842 3.219 20 0 CGADMP Cc1cc(C)nc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000903813076 621814889 /nfs/dbraw/zinc/81/48/89/621814889.db2.gz YMGSKMLPFPLKDU-QGZVFWFLSA-N 2 1 287.451 3.182 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]CCC[NH2+]C1CC1)C(C)(C)C ZINC000903829816 621818234 /nfs/dbraw/zinc/81/82/34/621818234.db2.gz LNAXVNUTGFFHOU-MRXNPFEDSA-N 2 1 275.440 3.209 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc3ccccc31)C2 ZINC000903843703 621819916 /nfs/dbraw/zinc/81/99/16/621819916.db2.gz QHQXZRAGWVQWRF-XKQJLSEDSA-N 2 1 266.388 3.151 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000903931646 621834558 /nfs/dbraw/zinc/83/45/58/621834558.db2.gz HGICCDZTLPXEEM-OLZOCXBDSA-N 2 1 260.372 3.014 20 0 CGADMP F[C@]1(c2ccccc2)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918277 621836224 /nfs/dbraw/zinc/83/62/24/621836224.db2.gz WCHFCUUQAYFZMA-NXCDMZCRSA-N 2 1 288.410 3.088 20 0 CGADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306001 621901761 /nfs/dbraw/zinc/90/17/61/621901761.db2.gz XPUUMQHINUQQSU-SDDRHHMPSA-N 2 1 275.421 3.026 20 0 CGADMP CC(C)(C)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317069 621904551 /nfs/dbraw/zinc/90/45/51/621904551.db2.gz VPHLZRYPGPWIFW-IYBDPMFKSA-N 2 1 260.425 3.272 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1C ZINC000904324048 621906908 /nfs/dbraw/zinc/90/69/08/621906908.db2.gz SVRASDSJTRLKKR-UXLLHSPISA-N 2 1 258.409 3.178 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)C1 ZINC000904342485 621909181 /nfs/dbraw/zinc/90/91/81/621909181.db2.gz IQRJRIZVICWURI-VNHYZAJKSA-N 2 1 285.391 3.092 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341348 621909519 /nfs/dbraw/zinc/90/95/19/621909519.db2.gz OBLWOPHEKGBVFU-HYVNUMGLSA-N 2 1 278.415 3.062 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904355156 621911021 /nfs/dbraw/zinc/91/10/21/621911021.db2.gz KLQNSYKKQAAUJH-ZDUSSCGKSA-N 2 1 286.341 3.241 20 0 CGADMP [NH3+]CC[C@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000904406488 621917974 /nfs/dbraw/zinc/91/79/74/621917974.db2.gz WXZDBTSOOGUVHY-QMMMGPOBSA-N 2 1 279.236 3.226 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000904406488 621917977 /nfs/dbraw/zinc/91/79/77/621917977.db2.gz WXZDBTSOOGUVHY-QMMMGPOBSA-N 2 1 279.236 3.226 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000904404648 621918470 /nfs/dbraw/zinc/91/84/70/621918470.db2.gz BTVSTOWORINARR-AWEZNQCLSA-N 2 1 270.376 3.117 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000904405139 621918594 /nfs/dbraw/zinc/91/85/94/621918594.db2.gz FJMKBRBSJVHIBE-OAHLLOKOSA-N 2 1 288.435 3.179 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)cc1C ZINC000904446015 621923389 /nfs/dbraw/zinc/92/33/89/621923389.db2.gz WIQIBCJBKDGEAH-UKRRQHHQSA-N 2 1 264.413 3.028 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@H](C)C1 ZINC000906525343 622243369 /nfs/dbraw/zinc/24/33/69/622243369.db2.gz LWGWKISGZJFDIG-RHSMWYFYSA-N 2 1 299.418 3.162 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@H](C)C1 ZINC000906525342 622243531 /nfs/dbraw/zinc/24/35/31/622243531.db2.gz LWGWKISGZJFDIG-PBHICJAKSA-N 2 1 299.418 3.162 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906589933 622251691 /nfs/dbraw/zinc/25/16/91/622251691.db2.gz FBEJYFPSMMKGFI-SJORKVTESA-N 2 1 287.382 3.209 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906589933 622251694 /nfs/dbraw/zinc/25/16/94/622251694.db2.gz FBEJYFPSMMKGFI-SJORKVTESA-N 2 1 287.382 3.209 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCCSC1)C1CCCCC1 ZINC000061588732 623161653 /nfs/dbraw/zinc/16/16/53/623161653.db2.gz PJDFUDMHPSWWDT-AWEZNQCLSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCc2ccccc2)C1 ZINC000915677810 624019223 /nfs/dbraw/zinc/01/92/23/624019223.db2.gz BMOIAFGHCTVVJY-CALCHBBNSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154772656 624364968 /nfs/dbraw/zinc/36/49/68/624364968.db2.gz QPCTWUIAGRWYDG-GFCCVEGCSA-N 2 1 282.378 3.299 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000070169680 624975423 /nfs/dbraw/zinc/97/54/23/624975423.db2.gz ZVEMWTDQIVUKIM-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)[nH]1 ZINC000929261066 625968730 /nfs/dbraw/zinc/96/87/30/625968730.db2.gz YYAZRCWIGNVLKN-SGIREYDYSA-N 2 1 261.413 3.427 20 0 CGADMP C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923316029 626144897 /nfs/dbraw/zinc/14/48/97/626144897.db2.gz DAJIOQKZDAWNLC-SLUKUZTOSA-N 2 1 294.508 3.267 20 0 CGADMP Fc1cccc2c1C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923370153 626149073 /nfs/dbraw/zinc/14/90/73/626149073.db2.gz CUCMKYYDEXOHMM-VHRNVKJDSA-N 2 1 288.410 3.105 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480736 626157289 /nfs/dbraw/zinc/15/72/89/626157289.db2.gz BWYJXOHRYAGQCS-ABAIWWIYSA-N 2 1 268.351 3.087 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488423 626157995 /nfs/dbraw/zinc/15/79/95/626157995.db2.gz FRUMTOLYLODCPH-CJNGLKHVSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488424 626158022 /nfs/dbraw/zinc/15/80/22/626158022.db2.gz FRUMTOLYLODCPH-CZUORRHYSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1ccc(-c2cnc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)o2)cc1 ZINC000923496816 626158630 /nfs/dbraw/zinc/15/86/30/626158630.db2.gz BQCMANGAJNVKEZ-GDBMZVCRSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500715 626159296 /nfs/dbraw/zinc/15/92/96/626159296.db2.gz XFGODQNYTJAXPK-UPJWGTAASA-N 2 1 266.816 3.318 20 0 CGADMP FC(F)Sc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923518485 626160558 /nfs/dbraw/zinc/16/05/58/626160558.db2.gz LACSTBRYEMFRKD-QWHCGFSZSA-N 2 1 298.402 3.043 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2ccccc2o1 ZINC000020090522 634482772 /nfs/dbraw/zinc/48/27/72/634482772.db2.gz KVIQMGXRFAYHMG-UHFFFAOYSA-N 2 1 260.381 3.254 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839182745 626326651 /nfs/dbraw/zinc/32/66/51/626326651.db2.gz PMCCQXASNKEQIE-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183353 626327164 /nfs/dbraw/zinc/32/71/64/626327164.db2.gz WVUDOAZXQBARLU-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP CCCCCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762650220 627119023 /nfs/dbraw/zinc/11/90/23/627119023.db2.gz QAMOGISHJNZONU-IRXDYDNUSA-N 2 1 284.488 3.436 20 0 CGADMP CCCCCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000762650220 627119020 /nfs/dbraw/zinc/11/90/20/627119020.db2.gz QAMOGISHJNZONU-IRXDYDNUSA-N 2 1 284.488 3.436 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000764805558 627225532 /nfs/dbraw/zinc/22/55/32/627225532.db2.gz FPDBSUSOFMXTLF-HNNXBMFYSA-N 2 1 278.440 3.466 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000764805558 627225533 /nfs/dbraw/zinc/22/55/33/627225533.db2.gz FPDBSUSOFMXTLF-HNNXBMFYSA-N 2 1 278.440 3.466 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000764967654 627234488 /nfs/dbraw/zinc/23/44/88/627234488.db2.gz WYCPPOJDPWMRIH-MCIONIFRSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000764967654 627234489 /nfs/dbraw/zinc/23/44/89/627234489.db2.gz WYCPPOJDPWMRIH-MCIONIFRSA-N 2 1 270.486 3.123 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H](C)CCc1ccc(OC)cc1)C(C)C ZINC000765629193 627263804 /nfs/dbraw/zinc/26/38/04/627263804.db2.gz WOKWWGUPAWQZDQ-INIZCTEOSA-N 2 1 292.467 3.336 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H](C)CCc1ccc(OC)cc1)C(C)C ZINC000765629193 627263805 /nfs/dbraw/zinc/26/38/05/627263805.db2.gz WOKWWGUPAWQZDQ-INIZCTEOSA-N 2 1 292.467 3.336 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000766213389 627303636 /nfs/dbraw/zinc/30/36/36/627303636.db2.gz GFVYHLJSRGBVFF-HYVNUMGLSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)o1 ZINC000767361511 627401480 /nfs/dbraw/zinc/40/14/80/627401480.db2.gz OBCPWLUSKGDHNZ-ZIAGYGMSSA-N 2 1 278.440 3.354 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(C(F)F)C1 ZINC000768677826 627492223 /nfs/dbraw/zinc/49/22/23/627492223.db2.gz KGBJZETXDZPHTO-HSBZDZAISA-N 2 1 274.399 3.274 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCC(C)=O)CC1)CC(C)C ZINC000773729012 627908653 /nfs/dbraw/zinc/90/86/53/627908653.db2.gz BNTWTIDZPDUEGO-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000775622396 628115104 /nfs/dbraw/zinc/11/51/04/628115104.db2.gz BZGONPLDYPYMIR-CYBMUJFWSA-N 2 1 271.408 3.303 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630309 628115853 /nfs/dbraw/zinc/11/58/53/628115853.db2.gz YPMNYCUHTPBMAI-UONOGXRCSA-N 2 1 271.408 3.160 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC000777596259 628287126 /nfs/dbraw/zinc/28/71/26/628287126.db2.gz YWUWPDDSKRRZGY-KRWDZBQOSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC000777596259 628287132 /nfs/dbraw/zinc/28/71/32/628287132.db2.gz YWUWPDDSKRRZGY-KRWDZBQOSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC000777596259 628287137 /nfs/dbraw/zinc/28/71/37/628287137.db2.gz YWUWPDDSKRRZGY-KRWDZBQOSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777596259 628287144 /nfs/dbraw/zinc/28/71/44/628287144.db2.gz YWUWPDDSKRRZGY-KRWDZBQOSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777596259 628287149 /nfs/dbraw/zinc/28/71/49/628287149.db2.gz YWUWPDDSKRRZGY-KRWDZBQOSA-N 2 1 278.415 3.320 20 0 CGADMP CC(C)c1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000783315220 628703024 /nfs/dbraw/zinc/70/30/24/628703024.db2.gz AETKUIPPPYNUPA-HOCLYGCPSA-N 2 1 260.425 3.382 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)CCCO2 ZINC000788258094 629043303 /nfs/dbraw/zinc/04/33/03/629043303.db2.gz TVGCZJSBPICEKK-KRWDZBQOSA-N 2 1 299.418 3.029 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000790047592 629179663 /nfs/dbraw/zinc/17/96/63/629179663.db2.gz AGZLGEHPNANXJI-JFIYKMOQSA-N 2 1 286.463 3.426 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000790047592 629179665 /nfs/dbraw/zinc/17/96/65/629179665.db2.gz AGZLGEHPNANXJI-JFIYKMOQSA-N 2 1 286.463 3.426 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334702 629661267 /nfs/dbraw/zinc/66/12/67/629661267.db2.gz DTXFXKRKFRMHJZ-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334702 629661271 /nfs/dbraw/zinc/66/12/71/629661271.db2.gz DTXFXKRKFRMHJZ-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334702 629661274 /nfs/dbraw/zinc/66/12/74/629661274.db2.gz DTXFXKRKFRMHJZ-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334702 629661277 /nfs/dbraw/zinc/66/12/77/629661277.db2.gz DTXFXKRKFRMHJZ-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@H]2C(C)C)cn1 ZINC000796694312 629815940 /nfs/dbraw/zinc/81/59/40/629815940.db2.gz LFMARJRIQXHOJR-HOTGVXAUSA-N 2 1 284.407 3.100 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956532 630128459 /nfs/dbraw/zinc/12/84/59/630128459.db2.gz BYABINCAJJMGMC-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCCCOC(C)(C)C)C2)CC1 ZINC000799177776 630153313 /nfs/dbraw/zinc/15/33/13/630153313.db2.gz DSZLNIFIYXNNSC-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(CC2CCC2)c1 ZINC000865637722 630241369 /nfs/dbraw/zinc/24/13/69/630241369.db2.gz ISBHAWLUXMFLKK-UHFFFAOYSA-N 2 1 283.419 3.095 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC(C)(C)C)C[C@H]1C ZINC000801925018 630367810 /nfs/dbraw/zinc/36/78/10/630367810.db2.gz YHWNKUSEENYDGR-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC(C)(C)C)C[C@H]1C ZINC000801925018 630367815 /nfs/dbraw/zinc/36/78/15/630367815.db2.gz YHWNKUSEENYDGR-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC(C)(C)C)C[C@H]1C ZINC000801925018 630367816 /nfs/dbraw/zinc/36/78/16/630367816.db2.gz YHWNKUSEENYDGR-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP C[N@@H+](CCSC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC000801923278 630368213 /nfs/dbraw/zinc/36/82/13/630368213.db2.gz CXTLMDKCPJZSSO-AWEZNQCLSA-N 2 1 272.502 3.324 20 0 CGADMP C[NH+](CCSC(C)(C)C)CC[C@@H]1CCCC[N@@H+]1C ZINC000801923278 630368215 /nfs/dbraw/zinc/36/82/15/630368215.db2.gz CXTLMDKCPJZSSO-AWEZNQCLSA-N 2 1 272.502 3.324 20 0 CGADMP C[NH+](CCSC(C)(C)C)CC[C@@H]1CCCC[N@H+]1C ZINC000801923278 630368216 /nfs/dbraw/zinc/36/82/16/630368216.db2.gz CXTLMDKCPJZSSO-AWEZNQCLSA-N 2 1 272.502 3.324 20 0 CGADMP Cc1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)o1 ZINC000120717851 630454391 /nfs/dbraw/zinc/45/43/91/630454391.db2.gz RQFVFRZOHILSQD-HNNXBMFYSA-N 2 1 266.429 3.352 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000815578749 631798877 /nfs/dbraw/zinc/79/88/77/631798877.db2.gz VMYLHBMIFXIYDM-UONOGXRCSA-N 2 1 264.388 3.127 20 0 CGADMP CC1(C)CC[C@@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)OC1 ZINC000879202446 635725316 /nfs/dbraw/zinc/72/53/16/635725316.db2.gz GBSVTAASWCWENK-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817931388 632235978 /nfs/dbraw/zinc/23/59/78/632235978.db2.gz RTOCBGQEHCPQLD-RBSFLKMASA-N 2 1 293.842 3.054 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000817958780 632255320 /nfs/dbraw/zinc/25/53/20/632255320.db2.gz MILXBOQERYZVHS-JSGCOSHPSA-N 2 1 252.377 3.158 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1Cl ZINC000817959967 632256607 /nfs/dbraw/zinc/25/66/07/632256607.db2.gz IZHDUIZQZSSBTE-QMTHXVAHSA-N 2 1 282.815 3.045 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCCC1 ZINC000817982283 632272983 /nfs/dbraw/zinc/27/29/83/632272983.db2.gz QSWHVPUYPWJPJG-XBVQOTNRSA-N 2 1 264.457 3.452 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822751167 633016494 /nfs/dbraw/zinc/01/64/94/633016494.db2.gz UFTIJOXNMVWMGA-UPJWGTAASA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822751167 633016497 /nfs/dbraw/zinc/01/64/97/633016497.db2.gz UFTIJOXNMVWMGA-UPJWGTAASA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822751167 633016501 /nfs/dbraw/zinc/01/65/01/633016501.db2.gz UFTIJOXNMVWMGA-UPJWGTAASA-N 2 1 293.282 3.232 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000823850455 633158268 /nfs/dbraw/zinc/15/82/68/633158268.db2.gz DIMNLCJDPXMUNX-MXSMSXNCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCOC1 ZINC000866562333 633193702 /nfs/dbraw/zinc/19/37/02/633193702.db2.gz RIQMZEIGBLVBHC-XYJFISCASA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCCOC1 ZINC000866562333 633193711 /nfs/dbraw/zinc/19/37/11/633193711.db2.gz RIQMZEIGBLVBHC-XYJFISCASA-N 2 1 294.483 3.188 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000866584723 633202596 /nfs/dbraw/zinc/20/25/96/633202596.db2.gz PYWICJQXHUSDED-KBAYOESNSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000866584723 633202602 /nfs/dbraw/zinc/20/26/02/633202602.db2.gz PYWICJQXHUSDED-KBAYOESNSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000866584723 633202605 /nfs/dbraw/zinc/20/26/05/633202605.db2.gz PYWICJQXHUSDED-KBAYOESNSA-N 2 1 270.420 3.090 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866584161 633203428 /nfs/dbraw/zinc/20/34/28/633203428.db2.gz NAYCBOTYGTZYQY-ZACQAIPSSA-N 2 1 258.409 3.164 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584161 633203434 /nfs/dbraw/zinc/20/34/34/633203434.db2.gz NAYCBOTYGTZYQY-ZACQAIPSSA-N 2 1 258.409 3.164 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584161 633203440 /nfs/dbraw/zinc/20/34/40/633203440.db2.gz NAYCBOTYGTZYQY-ZACQAIPSSA-N 2 1 258.409 3.164 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000866584713 633203971 /nfs/dbraw/zinc/20/39/71/633203971.db2.gz PYWICJQXHUSDED-BPQIPLTHSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000866584713 633203976 /nfs/dbraw/zinc/20/39/76/633203976.db2.gz PYWICJQXHUSDED-BPQIPLTHSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000866584713 633203980 /nfs/dbraw/zinc/20/39/80/633203980.db2.gz PYWICJQXHUSDED-BPQIPLTHSA-N 2 1 270.420 3.090 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC=C(Cl)Cl)C1 ZINC000866710014 633235859 /nfs/dbraw/zinc/23/58/59/633235859.db2.gz VZJBTIDAYPMEBE-LBPRGKRZSA-N 2 1 265.228 3.002 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000866710014 633235863 /nfs/dbraw/zinc/23/58/63/633235863.db2.gz VZJBTIDAYPMEBE-LBPRGKRZSA-N 2 1 265.228 3.002 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)[C@@H](C)C1 ZINC000846033761 636133451 /nfs/dbraw/zinc/13/34/51/636133451.db2.gz PJHFIUOZYPJABD-IGQOVBAYSA-N 2 1 276.827 3.011 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829444020 633734810 /nfs/dbraw/zinc/73/48/10/633734810.db2.gz QFEOWNFZICQTAI-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000872016544 633937286 /nfs/dbraw/zinc/93/72/86/633937286.db2.gz LDGVIEKFQHMKHL-CVEARBPZSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000872020755 633941254 /nfs/dbraw/zinc/94/12/54/633941254.db2.gz JYVGJRKRJCSMIZ-XHSDSOJGSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000872023786 633944823 /nfs/dbraw/zinc/94/48/23/633944823.db2.gz VKMASNDSXHQVDQ-VQHPVUNQSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000872023786 633944829 /nfs/dbraw/zinc/94/48/29/633944829.db2.gz VKMASNDSXHQVDQ-VQHPVUNQSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000872072193 633993225 /nfs/dbraw/zinc/99/32/25/633993225.db2.gz BEYXDPPCIQLHIQ-VXGBXAGGSA-N 2 1 268.367 3.426 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000872072193 633993230 /nfs/dbraw/zinc/99/32/30/633993230.db2.gz BEYXDPPCIQLHIQ-VXGBXAGGSA-N 2 1 268.367 3.426 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C1CC1 ZINC000872079473 634002850 /nfs/dbraw/zinc/00/28/50/634002850.db2.gz YTTAWRXEQCWWES-GOEBONIOSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC[C@@H]2C=CCC2)CC1(C)C ZINC000872105984 634027370 /nfs/dbraw/zinc/02/73/70/634027370.db2.gz GKAYFJZTSXCICM-HUUCEWRRSA-N 2 1 250.430 3.195 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000846218467 636161214 /nfs/dbraw/zinc/16/12/14/636161214.db2.gz OTGIYMADHOYANJ-KRWDZBQOSA-N 2 1 278.415 3.352 20 0 CGADMP Cc1csc([C@@H]2CC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000872149003 634065752 /nfs/dbraw/zinc/06/57/52/634065752.db2.gz RXEQIHUHUVKXLN-CQSZACIVSA-N 2 1 281.469 3.150 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(-c2ccccc2)no1 ZINC000872155230 634065772 /nfs/dbraw/zinc/06/57/72/634065772.db2.gz OQMOCCQNOQVUDZ-UHFFFAOYSA-N 2 1 287.407 3.293 20 0 CGADMP Cc1cnc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156649 634067531 /nfs/dbraw/zinc/06/75/31/634067531.db2.gz KXZIIRUNNYTBJP-GDBMZVCRSA-N 2 1 291.439 3.103 20 0 CGADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157755 634068072 /nfs/dbraw/zinc/06/80/72/634068072.db2.gz QUEUEVCDWSEMQK-ONIAQPFYSA-N 2 1 294.483 3.031 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC2CCOCC2)C1)C1CCCC1 ZINC000872158683 634069264 /nfs/dbraw/zinc/06/92/64/634069264.db2.gz WYUNPNAGNUFHNI-SJLPKXTDSA-N 2 1 294.483 3.033 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872275878 634097439 /nfs/dbraw/zinc/09/74/39/634097439.db2.gz LTWARJIAKHBXMB-WMZOPIPTSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872275878 634097447 /nfs/dbraw/zinc/09/74/47/634097447.db2.gz LTWARJIAKHBXMB-WMZOPIPTSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872275878 634097451 /nfs/dbraw/zinc/09/74/51/634097451.db2.gz LTWARJIAKHBXMB-WMZOPIPTSA-N 2 1 294.483 3.284 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000873223677 634290546 /nfs/dbraw/zinc/29/05/46/634290546.db2.gz QXBZPQXDPVWRPG-LJQANCHMSA-N 2 1 297.446 3.432 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C(F)(F)F ZINC000873227141 634291314 /nfs/dbraw/zinc/29/13/14/634291314.db2.gz CIVXCMGNOUWPOV-GJZGRUSLSA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C(F)(F)F ZINC000873227141 634291319 /nfs/dbraw/zinc/29/13/19/634291319.db2.gz CIVXCMGNOUWPOV-GJZGRUSLSA-N 2 1 298.352 3.133 20 0 CGADMP COc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000873223910 634291454 /nfs/dbraw/zinc/29/14/54/634291454.db2.gz UKJAQJOGEXKDAU-QGZVFWFLSA-N 2 1 294.414 3.031 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000873223910 634291462 /nfs/dbraw/zinc/29/14/62/634291462.db2.gz UKJAQJOGEXKDAU-QGZVFWFLSA-N 2 1 294.414 3.031 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC2(F)CC2)C1)C1CCCC1 ZINC000873232489 634294122 /nfs/dbraw/zinc/29/41/22/634294122.db2.gz ROXXJWFGQFADEM-UKRRQHHQSA-N 2 1 268.420 3.108 20 0 CGADMP CSC(C)(C)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000876754312 634892345 /nfs/dbraw/zinc/89/23/45/634892345.db2.gz FUIKWXOQDJXXNZ-OAHLLOKOSA-N 2 1 284.513 3.468 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](OC(C)C)c2ccccc2)C1 ZINC000876943282 634934215 /nfs/dbraw/zinc/93/42/15/634934215.db2.gz OQARNPLYZGVAFV-AEFFLSMTSA-N 2 1 290.451 3.084 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000877525335 635072185 /nfs/dbraw/zinc/07/21/85/635072185.db2.gz ZPIOEPDQDBGUOA-WMZOPIPTSA-N 2 1 274.452 3.246 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841037616 635111136 /nfs/dbraw/zinc/11/11/36/635111136.db2.gz BHSSCKWUPZRVQC-GFCCVEGCSA-N 2 1 288.407 3.464 20 0 CGADMP CC1(C)Cc2cc(C[NH2+][C@H](C[NH3+])C3CCCC3)ccc2O1 ZINC000841087052 635119771 /nfs/dbraw/zinc/11/97/71/635119771.db2.gz NMHJZRGAYVFIIJ-MRXNPFEDSA-N 2 1 288.435 3.007 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CC1(F)F ZINC000877733248 635167177 /nfs/dbraw/zinc/16/71/77/635167177.db2.gz PPLHNSABKVLMON-CFVMTHIKSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CC1(F)F ZINC000877733248 635167179 /nfs/dbraw/zinc/16/71/79/635167179.db2.gz PPLHNSABKVLMON-CFVMTHIKSA-N 2 1 286.410 3.417 20 0 CGADMP CC(C)C[N@H+](Cc1ccncc1F)CC1CC[NH+](C)CC1 ZINC000877767878 635194218 /nfs/dbraw/zinc/19/42/18/635194218.db2.gz XSIYIFVOFTZWTP-UHFFFAOYSA-N 2 1 293.430 3.021 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc2cc(F)ccc2o1 ZINC000843054039 635551664 /nfs/dbraw/zinc/55/16/64/635551664.db2.gz QHIBLKMQAMWQTI-GOOCMWNKSA-N 2 1 288.366 3.416 20 0 CGADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1SC ZINC000843055413 635553168 /nfs/dbraw/zinc/55/31/68/635553168.db2.gz AYGYYQMOAWTDNY-UHFFFAOYSA-N 2 1 294.464 3.119 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843354656 635652452 /nfs/dbraw/zinc/65/24/52/635652452.db2.gz AMFYKRYPBIEYPM-UHFFFAOYSA-N 2 1 282.815 3.050 20 0 CGADMP CC1(C)CCC[C@@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)O1 ZINC000879203900 635724860 /nfs/dbraw/zinc/72/48/60/635724860.db2.gz XMCGEKYPMHALFJ-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP CC(C)C[N@@H+](CCC[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000879703016 635839205 /nfs/dbraw/zinc/83/92/05/635839205.db2.gz CGQZUEYTKQCBOU-SFHVURJKSA-N 2 1 296.499 3.103 20 0 CGADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724272 635842713 /nfs/dbraw/zinc/84/27/13/635842713.db2.gz FFVYFJLXBGPMAL-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724272 635842718 /nfs/dbraw/zinc/84/27/18/635842718.db2.gz FFVYFJLXBGPMAL-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724272 635842721 /nfs/dbraw/zinc/84/27/21/635842721.db2.gz FFVYFJLXBGPMAL-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724272 635842726 /nfs/dbraw/zinc/84/27/26/635842726.db2.gz FFVYFJLXBGPMAL-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724272 635842734 /nfs/dbraw/zinc/84/27/34/635842734.db2.gz FFVYFJLXBGPMAL-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879750541 635853025 /nfs/dbraw/zinc/85/30/25/635853025.db2.gz WOODBODFGDRKGH-QGZVFWFLSA-N 2 1 284.407 3.122 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879750541 635853030 /nfs/dbraw/zinc/85/30/30/635853030.db2.gz WOODBODFGDRKGH-QGZVFWFLSA-N 2 1 284.407 3.122 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879998125 635893932 /nfs/dbraw/zinc/89/39/32/635893932.db2.gz LLNVJCAFGGEAJF-LJQANCHMSA-N 2 1 295.430 3.172 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879998125 635893937 /nfs/dbraw/zinc/89/39/37/635893937.db2.gz LLNVJCAFGGEAJF-LJQANCHMSA-N 2 1 295.430 3.172 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)c1ccnc(Cl)c1 ZINC000846177782 636153725 /nfs/dbraw/zinc/15/37/25/636153725.db2.gz RNDQIPMMHFQVOR-ZDUSSCGKSA-N 2 1 283.847 3.364 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000846177782 636153727 /nfs/dbraw/zinc/15/37/27/636153727.db2.gz RNDQIPMMHFQVOR-ZDUSSCGKSA-N 2 1 283.847 3.364 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000846177782 636153730 /nfs/dbraw/zinc/15/37/30/636153730.db2.gz RNDQIPMMHFQVOR-ZDUSSCGKSA-N 2 1 283.847 3.364 20 0 CGADMP C[C@]1(c2ccccc2)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219041 636161939 /nfs/dbraw/zinc/16/19/39/636161939.db2.gz DGSYRAVTIZRRFS-KRWDZBQOSA-N 2 1 260.425 3.169 20 0 CGADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCCCC[NH3+] ZINC000846219310 636162272 /nfs/dbraw/zinc/16/22/72/636162272.db2.gz NUVSHFJJIZYZQG-FUHWJXTLSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCCCC[NH3+] ZINC000846218986 636162419 /nfs/dbraw/zinc/16/24/19/636162419.db2.gz BFPCBEGMZKWPKH-DOTOQJQBSA-N 2 1 260.425 3.384 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000846824570 636251575 /nfs/dbraw/zinc/25/15/75/636251575.db2.gz CXAVAMNJJHMURC-UHFFFAOYSA-N 2 1 275.371 3.017 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000131036872 636545415 /nfs/dbraw/zinc/54/54/15/636545415.db2.gz GUSIMMDLIFNBCY-CQSZACIVSA-N 2 1 258.365 3.136 20 0 CGADMP CC(C)CCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848528769 636590632 /nfs/dbraw/zinc/59/06/32/636590632.db2.gz OETLMACEBWZQGU-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nc2ccccc2s1 ZINC000848718197 636640385 /nfs/dbraw/zinc/64/03/85/636640385.db2.gz ZDPQTGCUOWJKLK-TUAOUCFPSA-N 2 1 275.421 3.217 20 0 CGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000849062087 636735676 /nfs/dbraw/zinc/73/56/76/636735676.db2.gz FPTAGNDUCTXUHE-CVEARBPZSA-N 2 1 296.503 3.190 20 0 CGADMP CCCCCCNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000849065221 636737601 /nfs/dbraw/zinc/73/76/01/636737601.db2.gz DDRRAJHHBQSBEI-HNNXBMFYSA-N 2 1 296.503 3.191 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439374 636757067 /nfs/dbraw/zinc/75/70/67/636757067.db2.gz PUYZQVCBMWVXSL-RDJZCZTQSA-N 2 1 294.483 3.175 20 0 CGADMP c1oc2ccccc2c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133620462 636961375 /nfs/dbraw/zinc/96/13/75/636961375.db2.gz NTNBULLUEXIRBM-UHFFFAOYSA-N 2 1 284.403 3.397 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000850381620 637040467 /nfs/dbraw/zinc/04/04/67/637040467.db2.gz HUQZCKUGSORTPI-XYJFISCASA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000850381620 637040472 /nfs/dbraw/zinc/04/04/72/637040472.db2.gz HUQZCKUGSORTPI-XYJFISCASA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000215984096 637106621 /nfs/dbraw/zinc/10/66/21/637106621.db2.gz VECVBUPHYOMNSF-NWDGAFQWSA-N 2 1 266.454 3.215 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000885894004 637307780 /nfs/dbraw/zinc/30/77/80/637307780.db2.gz CBMXHCXSKKCECD-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885926562 637314534 /nfs/dbraw/zinc/31/45/34/637314534.db2.gz FSZXCYZKSBYYJO-MRXNPFEDSA-N 2 1 291.439 3.053 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2cccnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886587978 637594565 /nfs/dbraw/zinc/59/45/65/637594565.db2.gz JEUOQASDJHAMAG-YXJHDRRASA-N 2 1 299.462 3.312 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2cccnc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886587978 637594572 /nfs/dbraw/zinc/59/45/72/637594572.db2.gz JEUOQASDJHAMAG-YXJHDRRASA-N 2 1 299.462 3.312 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CC[C@@H]3CCCCO3)CC2)[nH+]c1C ZINC000886659611 637637147 /nfs/dbraw/zinc/63/71/47/637637147.db2.gz QSOQCSXZYFOQLN-INIZCTEOSA-N 2 1 291.439 3.165 20 0 CGADMP CO[C@H](C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)C1CCC1 ZINC000886659883 637637261 /nfs/dbraw/zinc/63/72/61/637637261.db2.gz XSUVCGQGUOSCSG-MRXNPFEDSA-N 2 1 291.439 3.021 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)[nH+]c1C ZINC000886659196 637637461 /nfs/dbraw/zinc/63/74/61/637637461.db2.gz FYFOBKCBULOZOQ-RBVVOMGSSA-N 2 1 273.424 3.252 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C3CC(OC(C)C)C3)CC2)[nH+]c1C ZINC000886661389 637639855 /nfs/dbraw/zinc/63/98/55/637639855.db2.gz UAOJUHPVOHEMST-UHFFFAOYSA-N 2 1 291.439 3.162 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3cnccc3C)CC2)[nH+]c1C ZINC000886664348 637641128 /nfs/dbraw/zinc/64/11/28/637641128.db2.gz JQEHVPCRILXLIX-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@]4(CCC[NH2+]4)C3)C2)cc1 ZINC000852750795 637706391 /nfs/dbraw/zinc/70/63/91/637706391.db2.gz GQFCWRIAZNFYSG-BHIYHBOVSA-N 2 1 284.447 3.398 20 0 CGADMP COc1ccccc1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924524896 638348853 /nfs/dbraw/zinc/34/88/53/638348853.db2.gz CURLDHMEVBMFQQ-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000924655902 638384295 /nfs/dbraw/zinc/38/42/95/638384295.db2.gz FESWMSYJXJDOSS-RVKKMQEKSA-N 2 1 290.451 3.040 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1(Cl)CC1 ZINC000924689429 638387024 /nfs/dbraw/zinc/38/70/24/638387024.db2.gz XQDZCYBBMQNLLN-KGLIPLIRSA-N 2 1 272.864 3.248 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924688143 638388945 /nfs/dbraw/zinc/38/89/45/638388945.db2.gz QYZYZVJRSXIUEK-KBPBESRZSA-N 2 1 281.469 3.448 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000924698585 638391100 /nfs/dbraw/zinc/39/11/00/638391100.db2.gz ZZQLMCONUOQBQH-YESZJQIVSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000924961046 638431775 /nfs/dbraw/zinc/43/17/75/638431775.db2.gz SMKXSTFCTNHQHZ-SWLSCSKDSA-N 2 1 279.428 3.062 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000924961046 638431780 /nfs/dbraw/zinc/43/17/80/638431780.db2.gz SMKXSTFCTNHQHZ-SWLSCSKDSA-N 2 1 279.428 3.062 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1 ZINC000925513927 638515683 /nfs/dbraw/zinc/51/56/83/638515683.db2.gz ISKYRJRPKAHYSV-SJCJKPOMSA-N 2 1 258.409 3.101 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C2CC2)cc1 ZINC000925534307 638521476 /nfs/dbraw/zinc/52/14/76/638521476.db2.gz VALUTPKEWZQJHQ-VIUKOLAESA-N 2 1 282.431 3.032 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])c1cccnc1 ZINC000925538928 638522689 /nfs/dbraw/zinc/52/26/89/638522689.db2.gz WRZVRRUQPWMNHR-SNRMKQJTSA-N 2 1 297.446 3.499 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccccc1 ZINC000925582358 638536952 /nfs/dbraw/zinc/53/69/52/638536952.db2.gz ZFEMYJDYTSXVRP-XIRDDKMYSA-N 2 1 290.451 3.260 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000925587231 638538377 /nfs/dbraw/zinc/53/83/77/638538377.db2.gz HHHFKRYGGRJHHK-XYTVBORESA-N 2 1 296.524 3.371 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000925588274 638538656 /nfs/dbraw/zinc/53/86/56/638538656.db2.gz PHQKMJUMQHWKJV-UONOGXRCSA-N 2 1 272.864 3.104 20 0 CGADMP Cc1csc(C2([NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CCC2)n1 ZINC000925592438 638539441 /nfs/dbraw/zinc/53/94/41/638539441.db2.gz GXNORQZCSPKQNQ-OLZOCXBDSA-N 2 1 293.480 3.326 20 0 CGADMP C[C@@H](C1C(C)(C)C1(C)C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747132 638595311 /nfs/dbraw/zinc/59/53/11/638595311.db2.gz FIBMUBOWMLAUHG-JTQLQIEISA-N 2 1 293.480 3.031 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C2CC2)c1 ZINC000925777473 638610217 /nfs/dbraw/zinc/61/02/17/638610217.db2.gz PDJZJPLRWUMCHV-WBMJQRKESA-N 2 1 294.389 3.459 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC1(C)C ZINC000858184111 638652267 /nfs/dbraw/zinc/65/22/67/638652267.db2.gz HOCSYHJYBNERSD-FPMFFAJLSA-N 2 1 276.827 3.154 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737915 638805243 /nfs/dbraw/zinc/80/52/43/638805243.db2.gz HNKWCFFTXLWMOW-IIAWOOMASA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CC(F)(F)C1 ZINC000926895971 638822326 /nfs/dbraw/zinc/82/23/26/638822326.db2.gz CAXPHJCPDAFMKJ-IUODEOHRSA-N 2 1 297.393 3.098 20 0 CGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CC(F)(F)C1 ZINC000926895971 638822328 /nfs/dbraw/zinc/82/23/28/638822328.db2.gz CAXPHJCPDAFMKJ-IUODEOHRSA-N 2 1 297.393 3.098 20 0 CGADMP COC/C(C)=C/C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000929507929 638929500 /nfs/dbraw/zinc/92/95/00/638929500.db2.gz BKSJSOPXOCEIRX-GONKEYIRSA-N 2 1 294.483 3.167 20 0 CGADMP COC/C(C)=C/C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000929507929 638929502 /nfs/dbraw/zinc/92/95/02/638929502.db2.gz BKSJSOPXOCEIRX-GONKEYIRSA-N 2 1 294.483 3.167 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2C)[C@H](C)C1 ZINC000930000021 638967450 /nfs/dbraw/zinc/96/74/50/638967450.db2.gz LQWQDZWEGRLLPA-PBHICJAKSA-N 2 1 290.451 3.166 20 0 CGADMP CCCC[N@@H+](CC[C@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033856 639101209 /nfs/dbraw/zinc/10/12/09/639101209.db2.gz KUQKXLFEZLRIAB-AWEZNQCLSA-N 2 1 284.488 3.169 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308402 639132446 /nfs/dbraw/zinc/13/24/46/639132446.db2.gz TUFDRFVGOCTUCA-YTQUADARSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308402 639132448 /nfs/dbraw/zinc/13/24/48/639132448.db2.gz TUFDRFVGOCTUCA-YTQUADARSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931308402 639132451 /nfs/dbraw/zinc/13/24/51/639132451.db2.gz TUFDRFVGOCTUCA-YTQUADARSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931308402 639132455 /nfs/dbraw/zinc/13/24/55/639132455.db2.gz TUFDRFVGOCTUCA-YTQUADARSA-N 2 1 286.463 3.281 20 0 CGADMP Cc1nccn1CCCC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934002144 639519763 /nfs/dbraw/zinc/51/97/63/639519763.db2.gz PVUCTVUHHZAOSP-UHFFFAOYSA-N 2 1 273.380 3.229 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccoc1)C1CC1 ZINC000934002144 639519769 /nfs/dbraw/zinc/51/97/69/639519769.db2.gz PVUCTVUHHZAOSP-UHFFFAOYSA-N 2 1 273.380 3.229 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934002144 639519777 /nfs/dbraw/zinc/51/97/77/639519777.db2.gz PVUCTVUHHZAOSP-UHFFFAOYSA-N 2 1 273.380 3.229 20 0 CGADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)c(C)s1 ZINC000091844597 640723242 /nfs/dbraw/zinc/72/32/42/640723242.db2.gz SCQGGURSKPHNOG-UHFFFAOYSA-N 2 1 252.427 3.067 20 0 CGADMP C[N@@H+](Cc1ncc(-c2ccccc2)o1)C1CCC([NH3+])CC1 ZINC000091847134 640724536 /nfs/dbraw/zinc/72/45/36/640724536.db2.gz HDAJZHNNONUXRX-UHFFFAOYSA-N 2 1 285.391 3.043 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252787401 640863975 /nfs/dbraw/zinc/86/39/75/640863975.db2.gz WJKFOJDDSSXOSK-NJZAAPMLSA-N 2 1 266.816 3.460 20 0 CGADMP Cc1[nH+]c2c(Nc3ccc4c[nH+]cn4c3)cccn2c1C ZINC001250328563 805573015 /nfs/dbraw/zinc/57/30/15/805573015.db2.gz UCSQUMXJOWGAOY-UHFFFAOYSA-N 2 1 277.331 3.342 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001257215424 807061539 /nfs/dbraw/zinc/06/15/39/807061539.db2.gz WAFOPEATROSALX-ZDUSSCGKSA-N 2 1 296.352 3.083 20 0 CGADMP Cc1cc[nH+]c(NCc2cccc(C[NH+](C)C)c2)c1 ZINC001156043790 805645078 /nfs/dbraw/zinc/64/50/78/805645078.db2.gz DXUDWSAHJSTKRS-UHFFFAOYSA-N 2 1 255.365 3.064 20 0 CGADMP COc1ccc2c(cc[nH+]c2NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001156377940 805679732 /nfs/dbraw/zinc/67/97/32/805679732.db2.gz HKBNZFOSPMAXML-AWEZNQCLSA-N 2 1 299.418 3.387 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2nccc3ccccc32)C1 ZINC001156381982 805681265 /nfs/dbraw/zinc/68/12/65/805681265.db2.gz YRFHJIJLPIYGMQ-CQSZACIVSA-N 2 1 269.392 3.379 20 0 CGADMP CCC[NH+]1C[C@H]2CN(c3[nH+]ccc4cccc(C)c43)C[C@@H]2C1 ZINC001157699665 805854808 /nfs/dbraw/zinc/85/48/08/805854808.db2.gz MCQFETVXUOYXCG-IRXDYDNUSA-N 2 1 295.430 3.321 20 0 CGADMP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001257310481 807100014 /nfs/dbraw/zinc/10/00/14/807100014.db2.gz FNCWBMYYVHOMOX-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP COc1cc[nH+]c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001159131483 806048153 /nfs/dbraw/zinc/04/81/53/806048153.db2.gz NTDGJICMMMGOKB-OAHLLOKOSA-N 2 1 269.348 3.258 20 0 CGADMP Cc1cc[nH+]c(C)c1Nc1cccc2c1CC[NH2+]C2 ZINC001159204375 806059628 /nfs/dbraw/zinc/05/96/28/806059628.db2.gz XWAWPMWDIHYHCT-UHFFFAOYSA-N 2 1 253.349 3.088 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001159426358 806100186 /nfs/dbraw/zinc/10/01/86/806100186.db2.gz ICPRLARIRCAPRK-CABCVRRESA-N 2 1 271.408 3.353 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC001253095760 806166631 /nfs/dbraw/zinc/16/66/31/806166631.db2.gz MGPZTBYRYBFVCW-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001253187000 806180983 /nfs/dbraw/zinc/18/09/83/806180983.db2.gz ANPNWIVTRSSYDW-OFLPRAFFSA-N 2 1 298.515 3.226 20 0 CGADMP Cc1cc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)c[nH+]c1N ZINC001160263968 806245279 /nfs/dbraw/zinc/24/52/79/806245279.db2.gz OREIJNLEGXEHBM-HNNXBMFYSA-N 2 1 296.418 3.258 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCCOC2)CC1 ZINC001254372772 806387482 /nfs/dbraw/zinc/38/74/82/806387482.db2.gz YVYHADSSWCJUFR-XIRDDKMYSA-N 2 1 280.456 3.070 20 0 CGADMP Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCC[N@H+](C)CC1 ZINC001254499343 806421880 /nfs/dbraw/zinc/42/18/80/806421880.db2.gz DNJVKGURPZJZIH-INIZCTEOSA-N 2 1 285.435 3.108 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1cc(F)ccc1F ZINC001254505859 806424701 /nfs/dbraw/zinc/42/47/01/806424701.db2.gz KBVHDPFTBJZCFW-CJNGLKHVSA-N 2 1 282.378 3.490 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC001254505859 806424704 /nfs/dbraw/zinc/42/47/04/806424704.db2.gz KBVHDPFTBJZCFW-CJNGLKHVSA-N 2 1 282.378 3.490 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504800 806424723 /nfs/dbraw/zinc/42/47/23/806424723.db2.gz WKOVXMJJNLHVFW-GOEBONIOSA-N 2 1 278.827 3.401 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC001254504474 806425372 /nfs/dbraw/zinc/42/53/72/806425372.db2.gz BNKOYJUKBUNWNT-WBMJQRKESA-N 2 1 278.827 3.401 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254506464 806425755 /nfs/dbraw/zinc/42/57/55/806425755.db2.gz SPDPTYMPCJBMMM-RDJZCZTQSA-N 2 1 258.409 3.056 20 0 CGADMP C[C@@H]([NH3+])Cc1cn([C@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254507070 806427711 /nfs/dbraw/zinc/42/77/11/806427711.db2.gz FJTNPTYUNCFMON-ZBFHGGJFSA-N 2 1 285.435 3.188 20 0 CGADMP Cc1ccccc1C(C)(C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254511725 806430599 /nfs/dbraw/zinc/43/05/99/806430599.db2.gz DMLWITIETKVULD-HNNXBMFYSA-N 2 1 260.425 3.304 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)C2CCCCC2)CC1 ZINC001254510211 806430648 /nfs/dbraw/zinc/43/06/48/806430648.db2.gz TVBOXPQISVZKAQ-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[PH+](CC[NH2+][C@@H]1CCC[N@@H+](C)CC1)C(C)C ZINC001254512081 806432599 /nfs/dbraw/zinc/43/25/99/806432599.db2.gz JCJREQWAYOAUML-OAHLLOKOSA-N 3 1 272.417 3.359 20 0 CGADMP CC(C)P(CC[NH2+][C@@H]1CCC[N@H+](C)CC1)C(C)C ZINC001254512081 806432605 /nfs/dbraw/zinc/43/26/05/806432605.db2.gz JCJREQWAYOAUML-OAHLLOKOSA-N 2 1 272.417 3.359 20 0 CGADMP CC(C)P(CC[NH2+][C@@H]1CCC[N@@H+](C)CC1)C(C)C ZINC001254512081 806432608 /nfs/dbraw/zinc/43/26/08/806432608.db2.gz JCJREQWAYOAUML-OAHLLOKOSA-N 2 1 272.417 3.359 20 0 CGADMP Cc1ccccc1C(C)(C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254511726 806433413 /nfs/dbraw/zinc/43/34/13/806433413.db2.gz DMLWITIETKVULD-OAHLLOKOSA-N 2 1 260.425 3.304 20 0 CGADMP C[C@@H]([NH3+])c1cn([C@@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254515553 806435941 /nfs/dbraw/zinc/43/59/41/806435941.db2.gz YGEFBLSOAFTXBN-ZIAGYGMSSA-N 2 1 271.408 3.318 20 0 CGADMP Cc1cccc(C2([NH2+][C@H]3CCC[N@H+](C)CC3)CC2)c1 ZINC001254515256 806436580 /nfs/dbraw/zinc/43/65/80/806436580.db2.gz USDGYSHUXDMYMM-INIZCTEOSA-N 2 1 258.409 3.058 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]2c2cccs2)CC1 ZINC001254523249 806440396 /nfs/dbraw/zinc/44/03/96/806440396.db2.gz MTCHIHHDTRFZEY-KBPBESRZSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001254523249 806440402 /nfs/dbraw/zinc/44/04/02/806440402.db2.gz MTCHIHHDTRFZEY-KBPBESRZSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001254523249 806440404 /nfs/dbraw/zinc/44/04/04/806440404.db2.gz MTCHIHHDTRFZEY-KBPBESRZSA-N 2 1 264.438 3.369 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CC=C(c3ccccc3)CC2)CC1 ZINC001254528628 806442866 /nfs/dbraw/zinc/44/28/66/806442866.db2.gz HTAHCLIWDVHJPO-GOSISDBHSA-N 2 1 270.420 3.260 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001254528628 806442871 /nfs/dbraw/zinc/44/28/71/806442871.db2.gz HTAHCLIWDVHJPO-GOSISDBHSA-N 2 1 270.420 3.260 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001254528628 806442873 /nfs/dbraw/zinc/44/28/73/806442873.db2.gz HTAHCLIWDVHJPO-GOSISDBHSA-N 2 1 270.420 3.260 20 0 CGADMP C[N@H+](C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136397 806551484 /nfs/dbraw/zinc/55/14/84/806551484.db2.gz KLKQRBCTBQKOJC-BCDXTJNWSA-N 2 1 270.420 3.276 20 0 CGADMP C[N@@H+](C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136397 806551490 /nfs/dbraw/zinc/55/14/90/806551490.db2.gz KLKQRBCTBQKOJC-BCDXTJNWSA-N 2 1 270.420 3.276 20 0 CGADMP C[NH+](C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136397 806551496 /nfs/dbraw/zinc/55/14/96/806551496.db2.gz KLKQRBCTBQKOJC-BCDXTJNWSA-N 2 1 270.420 3.276 20 0 CGADMP C[NH+](C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136397 806551498 /nfs/dbraw/zinc/55/14/98/806551498.db2.gz KLKQRBCTBQKOJC-BCDXTJNWSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(C(C)(C)C)cc[nH+]1 ZINC001162469698 806593159 /nfs/dbraw/zinc/59/31/59/806593159.db2.gz CSRVXAJKJLVYBK-UONOGXRCSA-N 2 1 275.440 3.427 20 0 CGADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn([C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC001255473725 806647302 /nfs/dbraw/zinc/64/73/02/806647302.db2.gz XHZLJWOOAIBGHN-GDBMZVCRSA-N 2 1 285.435 3.106 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(C(C)(C)C)CC1 ZINC001255496455 806651623 /nfs/dbraw/zinc/65/16/23/806651623.db2.gz RYLGBAIKFZUSQX-UHFFFAOYSA-N 2 1 263.429 3.470 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)CC(F)(F)F ZINC001255638422 806687621 /nfs/dbraw/zinc/68/76/21/806687621.db2.gz AECLESIVRDMGDT-STQMWFEESA-N 2 1 288.357 3.424 20 0 CGADMP Cc1ccc2cc[nH+]c(NC3CC4(C3)CCC[NH2+]C4)c2c1 ZINC001162981642 806688947 /nfs/dbraw/zinc/68/89/47/806688947.db2.gz LAPASAXAJYWVKD-UHFFFAOYSA-N 2 1 281.403 3.487 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140920 798860173 /nfs/dbraw/zinc/86/01/73/798860173.db2.gz WBBGWWHCQJRHGE-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccc2c(c1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255673685 806701724 /nfs/dbraw/zinc/70/17/24/806701724.db2.gz DKJGFPJHUCWARU-DFNIBXOVSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255673685 806701727 /nfs/dbraw/zinc/70/17/27/806701727.db2.gz DKJGFPJHUCWARU-DFNIBXOVSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255673685 806701730 /nfs/dbraw/zinc/70/17/30/806701730.db2.gz DKJGFPJHUCWARU-DFNIBXOVSA-N 2 1 284.447 3.368 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)F)c2)CC[N@H+]1C ZINC000156035481 799065349 /nfs/dbraw/zinc/06/53/49/799065349.db2.gz JCXGWYOQKUGSME-BXUZGUMPSA-N 2 1 268.351 3.197 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001255727633 806723592 /nfs/dbraw/zinc/72/35/92/806723592.db2.gz GTQPODSJXNXWGF-HIFRSBDPSA-N 2 1 296.455 3.380 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CSc1ccc(F)cc1 ZINC001255729637 806724272 /nfs/dbraw/zinc/72/42/72/806724272.db2.gz IIQKWTQLGHQWRV-GFCCVEGCSA-N 2 1 293.411 3.185 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H](CNc3cc[nH+]cc3)C2)cc1 ZINC000309825610 799220195 /nfs/dbraw/zinc/22/01/95/799220195.db2.gz QRDWSVIZMGOJAW-KRWDZBQOSA-N 2 1 281.403 3.406 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC000312778850 799228542 /nfs/dbraw/zinc/22/85/42/799228542.db2.gz YRLGSQLSHPTZOC-GOSISDBHSA-N 2 1 274.452 3.446 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380956352 799369394 /nfs/dbraw/zinc/36/93/94/799369394.db2.gz UVMVYVAMLRNFMB-KBAYOESNSA-N 2 1 272.436 3.287 20 0 CGADMP CCCC1CCC([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000381510331 799382168 /nfs/dbraw/zinc/38/21/68/799382168.db2.gz OLRBQTFDQAKXQO-PCKAHOCUSA-N 2 1 252.446 3.406 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001255774959 806746213 /nfs/dbraw/zinc/74/62/13/806746213.db2.gz PTRLPYJKIRMZPF-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)CC1(C)CC[NH2+]CC1 ZINC000383610790 799406062 /nfs/dbraw/zinc/40/60/62/799406062.db2.gz XZXOLVMNSBBOSM-UHFFFAOYSA-N 2 1 260.425 3.288 20 0 CGADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000385450602 799426553 /nfs/dbraw/zinc/42/65/53/799426553.db2.gz XYEDSCSXYAKYLE-KYJSFNMBSA-N 2 1 272.436 3.415 20 0 CGADMP CC(C)Oc1cc[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001163366180 806751458 /nfs/dbraw/zinc/75/14/58/806751458.db2.gz SGAAMSBZMBGDNB-HOCLYGCPSA-N 2 1 291.439 3.400 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398329009 799529525 /nfs/dbraw/zinc/52/95/25/799529525.db2.gz PULHLHWLFLCEJN-DBDQLMEASA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398329009 799529531 /nfs/dbraw/zinc/52/95/31/799529531.db2.gz PULHLHWLFLCEJN-DBDQLMEASA-N 2 1 284.447 3.285 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255840561 806764178 /nfs/dbraw/zinc/76/41/78/806764178.db2.gz FXILNUIVLLIVAT-DZUCGIPZSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255840561 806764183 /nfs/dbraw/zinc/76/41/83/806764183.db2.gz FXILNUIVLLIVAT-DZUCGIPZSA-N 2 1 290.426 3.362 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC001255866228 806774865 /nfs/dbraw/zinc/77/48/65/806774865.db2.gz NMNMOEPOZZJCDK-IIDMSEBBSA-N 2 1 292.442 3.465 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000690736758 799778713 /nfs/dbraw/zinc/77/87/13/799778713.db2.gz CZMPNNPJXGZEBY-SNVBAGLBSA-N 2 1 273.207 3.164 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000691954415 799789747 /nfs/dbraw/zinc/78/97/47/799789747.db2.gz SYOKXXFTDWIEBI-SNVBAGLBSA-N 2 1 274.330 3.436 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000691954415 799789749 /nfs/dbraw/zinc/78/97/49/799789749.db2.gz SYOKXXFTDWIEBI-SNVBAGLBSA-N 2 1 274.330 3.436 20 0 CGADMP c1csc(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000692872311 799802128 /nfs/dbraw/zinc/80/21/28/799802128.db2.gz JHJMBNJVHGLOQM-OAHLLOKOSA-N 2 1 278.465 3.002 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1CCC[NH3+] ZINC000693482296 799810364 /nfs/dbraw/zinc/81/03/64/799810364.db2.gz VXJBSSFFWQZFJU-TZMCWYRMSA-N 2 1 281.831 3.074 20 0 CGADMP C[C@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)C1 ZINC000695353527 799829175 /nfs/dbraw/zinc/82/91/75/799829175.db2.gz ITTYASHKXSJNBZ-HYCWQLOCSA-N 2 1 264.457 3.274 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000700563430 799873397 /nfs/dbraw/zinc/87/33/97/799873397.db2.gz JMKSJKJOLJDYAA-GFCCVEGCSA-N 2 1 260.381 3.171 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc2oc(C)nc2c1 ZINC001255942175 806790168 /nfs/dbraw/zinc/79/01/68/806790168.db2.gz CCTBTXJGNOIZKQ-CYBMUJFWSA-N 2 1 289.423 3.346 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001255944162 806791309 /nfs/dbraw/zinc/79/13/09/806791309.db2.gz SEFMUUAUFXFCCT-BZSNNMDCSA-N 3 1 297.531 3.064 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC001255944740 806791846 /nfs/dbraw/zinc/79/18/46/806791846.db2.gz YQOKDWDNVMLRMM-OAHLLOKOSA-N 2 1 285.435 3.445 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC12CCCC2 ZINC000707623793 799978689 /nfs/dbraw/zinc/97/86/89/799978689.db2.gz YQTQCVMJOBBHLZ-UHFFFAOYSA-N 2 1 250.430 3.317 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709992913 800026583 /nfs/dbraw/zinc/02/65/83/800026583.db2.gz RELJTSCJGWJTHV-WMLDXEAASA-N 2 1 292.854 3.347 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(OC(F)F)cc1 ZINC000710684198 800038807 /nfs/dbraw/zinc/03/88/07/800038807.db2.gz WASSOVRUIXYGFY-UHFFFAOYSA-N 2 1 286.366 3.239 20 0 CGADMP CSc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710800254 800039757 /nfs/dbraw/zinc/03/97/57/800039757.db2.gz UVBZAYZXEUQSPF-UHFFFAOYSA-N 2 1 266.454 3.359 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC001255957340 806798662 /nfs/dbraw/zinc/79/86/62/806798662.db2.gz QPSYOCKECXNBPG-CHWSQXEVSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001255957340 806798664 /nfs/dbraw/zinc/79/86/64/806798664.db2.gz QPSYOCKECXNBPG-CHWSQXEVSA-N 2 1 262.388 3.084 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)C[NH2+]1 ZINC000714263986 800118242 /nfs/dbraw/zinc/11/82/42/800118242.db2.gz ZGHOLJVIQANDBL-IBEHDNSVSA-N 2 1 250.430 3.075 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001255973317 806804330 /nfs/dbraw/zinc/80/43/30/806804330.db2.gz XXROJWQKBLIRTQ-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001255973317 806804338 /nfs/dbraw/zinc/80/43/38/806804338.db2.gz XXROJWQKBLIRTQ-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712544 800179034 /nfs/dbraw/zinc/17/90/34/800179034.db2.gz MKFQNGJYXLSCTL-KSZLIROESA-N 2 1 272.436 3.429 20 0 CGADMP CC(C)([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC001256070679 806810239 /nfs/dbraw/zinc/81/02/39/806810239.db2.gz AXNPKARSHLBLIR-UHFFFAOYSA-N 2 1 276.399 3.277 20 0 CGADMP Cc1cncc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC001256074108 806813310 /nfs/dbraw/zinc/81/33/10/806813310.db2.gz LFLCYBVKTFNEHY-SFHVURJKSA-N 2 1 285.435 3.058 20 0 CGADMP Cc1ccc(CC[N@@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078926 806814826 /nfs/dbraw/zinc/81/48/26/806814826.db2.gz GAWDGJBMRBFEHB-UHFFFAOYSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1ccc(CC[N@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078926 806814831 /nfs/dbraw/zinc/81/48/31/806814831.db2.gz GAWDGJBMRBFEHB-UHFFFAOYSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000723890783 800342537 /nfs/dbraw/zinc/34/25/37/800342537.db2.gz HLLVBRKKKGSXPD-VXGBXAGGSA-N 2 1 286.341 3.122 20 0 CGADMP Cc1[nH+]c2ccc(N[C@@H](C)C[NH+](C)C)cc2n1C(C)C ZINC001163777669 806824274 /nfs/dbraw/zinc/82/42/74/806824274.db2.gz YGGMZTSHPRASMD-LBPRGKRZSA-N 2 1 274.412 3.288 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000725123098 800374842 /nfs/dbraw/zinc/37/48/42/800374842.db2.gz JNWFMPHBIZMTDI-SJORKVTESA-N 2 1 290.476 3.266 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000725123098 800374849 /nfs/dbraw/zinc/37/48/49/800374849.db2.gz JNWFMPHBIZMTDI-SJORKVTESA-N 2 1 290.476 3.266 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CC1 ZINC001256200589 806847953 /nfs/dbraw/zinc/84/79/53/806847953.db2.gz XBTDGZIBWPCENR-QFHJOOASSA-N 2 1 284.447 3.253 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C1CCN(C)CC1 ZINC001256209848 806848506 /nfs/dbraw/zinc/84/85/06/806848506.db2.gz AXYXESYZVAZPKV-QGZVFWFLSA-N 2 1 258.409 3.090 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2C2CCN(C)CC2)c1 ZINC001256207869 806849918 /nfs/dbraw/zinc/84/99/18/806849918.db2.gz XDEDWKLQZCNDAZ-GOSISDBHSA-N 2 1 288.435 3.316 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521966 806908895 /nfs/dbraw/zinc/90/88/95/806908895.db2.gz GKTMTZUBYMOAKI-MXSMSXNCSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521966 806908896 /nfs/dbraw/zinc/90/88/96/806908896.db2.gz GKTMTZUBYMOAKI-MXSMSXNCSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1CC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536299 806911531 /nfs/dbraw/zinc/91/15/31/806911531.db2.gz CRLINWFVRGHIHY-BFYDXBDKSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1CC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536299 806911534 /nfs/dbraw/zinc/91/15/34/806911534.db2.gz CRLINWFVRGHIHY-BFYDXBDKSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1CC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536299 806911541 /nfs/dbraw/zinc/91/15/41/806911541.db2.gz CRLINWFVRGHIHY-BFYDXBDKSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1CC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536299 806911546 /nfs/dbraw/zinc/91/15/46/806911546.db2.gz CRLINWFVRGHIHY-BFYDXBDKSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256528118 806911647 /nfs/dbraw/zinc/91/16/47/806911647.db2.gz XWLRUZSQMOEIKN-QMCVQRASSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256528118 806911649 /nfs/dbraw/zinc/91/16/49/806911649.db2.gz XWLRUZSQMOEIKN-QMCVQRASSA-N 2 1 276.399 3.130 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC001256561597 806916391 /nfs/dbraw/zinc/91/63/91/806916391.db2.gz ATKDDGSMDCHPGO-QGZVFWFLSA-N 2 1 287.451 3.312 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001256572606 806918712 /nfs/dbraw/zinc/91/87/12/806918712.db2.gz TYTYPFGBBOBOJY-HNNXBMFYSA-N 2 1 287.451 3.134 20 0 CGADMP F[C@@H]1CCCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256604205 806924043 /nfs/dbraw/zinc/92/40/43/806924043.db2.gz MVZFKILWFQJUHP-QGZVFWFLSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@@H]1CCCCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256604205 806924048 /nfs/dbraw/zinc/92/40/48/806924048.db2.gz MVZFKILWFQJUHP-QGZVFWFLSA-N 2 1 290.426 3.475 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001256616551 806926184 /nfs/dbraw/zinc/92/61/84/806926184.db2.gz WBOYJLOFCXIZEY-HMQMGEFJSA-N 2 1 273.424 3.138 20 0 CGADMP Cc1cc2cc(C[NH3+])ccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256612604 806926515 /nfs/dbraw/zinc/92/65/15/806926515.db2.gz MSBCQRXHQKEMCS-SJPCQFCGSA-N 2 1 283.419 3.206 20 0 CGADMP C[N@@H+](CC1CCCCC1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695563 806950122 /nfs/dbraw/zinc/95/01/22/806950122.db2.gz DXBICBCDCDMZMD-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CCC4(CC([NH3+])C4)CC3)c12 ZINC001165245320 806979935 /nfs/dbraw/zinc/97/99/35/806979935.db2.gz FXXZJKMBWLWJRD-UHFFFAOYSA-N 2 1 281.403 3.251 20 0 CGADMP C[C@H]([NH2+]C/C=C/C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001117713834 802480026 /nfs/dbraw/zinc/48/00/26/802480026.db2.gz YJPSSMDEKVSGPB-OAWFPAICSA-N 2 1 284.447 3.453 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC001119306785 802646606 /nfs/dbraw/zinc/64/66/06/802646606.db2.gz UPXLXUIWYJYPQP-INIZCTEOSA-N 2 1 282.472 3.140 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001120071861 802733114 /nfs/dbraw/zinc/73/31/14/802733114.db2.gz OBAJPBIXLYHVRH-RRFJBIMHSA-N 2 1 294.389 3.127 20 0 CGADMP Cc1cc[nH+]c(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001120833513 802785144 /nfs/dbraw/zinc/78/51/44/802785144.db2.gz PALJZMXIZGDQJX-GJZGRUSLSA-N 2 1 273.424 3.455 20 0 CGADMP Cc1cc[nH+]c(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001120833513 802785152 /nfs/dbraw/zinc/78/51/52/802785152.db2.gz PALJZMXIZGDQJX-GJZGRUSLSA-N 2 1 273.424 3.455 20 0 CGADMP C1CCC([N@@H+]2CCC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)C2)C1 ZINC001256899818 807002014 /nfs/dbraw/zinc/00/20/14/807002014.db2.gz IIKKPEZALWALJO-KLZNWCGWSA-N 2 1 262.441 3.172 20 0 CGADMP C1CCC([N@H+]2CCC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)C2)C1 ZINC001256899818 807002019 /nfs/dbraw/zinc/00/20/19/807002019.db2.gz IIKKPEZALWALJO-KLZNWCGWSA-N 2 1 262.441 3.172 20 0 CGADMP CCOC(=[NH2+])c1cccc(-c2cccc(OCC[NH3+])c2)c1 ZINC001244324738 803303359 /nfs/dbraw/zinc/30/33/59/803303359.db2.gz MKXAJCMZHZMBMP-UHFFFAOYSA-N 2 1 284.359 3.053 20 0 CGADMP CCc1cccc2c(C[NH+]3C[C@H]4C[N@@H+](CC)C[C@H]4C3)c[nH]c21 ZINC001138363598 803905294 /nfs/dbraw/zinc/90/52/94/803905294.db2.gz LNGFCMBNHIHAQY-CALCHBBNSA-N 2 1 297.446 3.114 20 0 CGADMP CCc1cccc2c(C[N@@H+]3C[C@H]4C[NH+](CC)C[C@H]4C3)c[nH]c21 ZINC001138363598 803905297 /nfs/dbraw/zinc/90/52/97/803905297.db2.gz LNGFCMBNHIHAQY-CALCHBBNSA-N 2 1 297.446 3.114 20 0 CGADMP CCc1cccc2c(C[N@H+]3C[C@H]4C[NH+](CC)C[C@H]4C3)c[nH]c21 ZINC001138363598 803905305 /nfs/dbraw/zinc/90/53/05/803905305.db2.gz LNGFCMBNHIHAQY-CALCHBBNSA-N 2 1 297.446 3.114 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001138399660 803917147 /nfs/dbraw/zinc/91/71/47/803917147.db2.gz HNDKKYLHWPOGOG-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCOC[C@@H]2C(C)C)cc1 ZINC001138548536 803965208 /nfs/dbraw/zinc/96/52/08/803965208.db2.gz HHJXLUMNCZXDIM-GOSISDBHSA-N 2 1 299.418 3.038 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCOC[C@@H]2C(C)C)cc1 ZINC001138548536 803965214 /nfs/dbraw/zinc/96/52/14/803965214.db2.gz HHJXLUMNCZXDIM-GOSISDBHSA-N 2 1 299.418 3.038 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC001246070518 804108701 /nfs/dbraw/zinc/10/87/01/804108701.db2.gz CEAJIYUTNGVLFJ-UKRRQHHQSA-N 2 1 264.388 3.082 20 0 CGADMP CC(C)(C)[C@H](O)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246072168 804110088 /nfs/dbraw/zinc/11/00/88/804110088.db2.gz XHDQJVOBZVIUBX-DJIMGWMZSA-N 2 1 296.499 3.298 20 0 CGADMP CCCCCC[C@@H](CCC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246088026 804120513 /nfs/dbraw/zinc/12/05/13/804120513.db2.gz HPVWYNYVZDDCDD-GOSISDBHSA-N 2 1 297.531 3.401 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(F)CCCC[NH2+]C2)CC(C)(C)C1 ZINC001246112704 804144796 /nfs/dbraw/zinc/14/47/96/804144796.db2.gz MFEXTIHVJLHNKN-YCPHGPKFSA-N 2 1 270.436 3.273 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C[NH2+]1 ZINC001246157230 804173662 /nfs/dbraw/zinc/17/36/62/804173662.db2.gz BEWDPICFZXKXIO-NVXWUHKLSA-N 2 1 296.414 3.361 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160401 804176993 /nfs/dbraw/zinc/17/69/93/804176993.db2.gz MIFVUDXKNOMHFL-YESZJQIVSA-N 2 1 282.472 3.236 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2cc(O)ccc2c1 ZINC001139341341 804177385 /nfs/dbraw/zinc/17/73/85/804177385.db2.gz HEZSPQYTMBVNJX-UHFFFAOYSA-N 2 1 286.419 3.319 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160475 804177560 /nfs/dbraw/zinc/17/75/60/804177560.db2.gz NBMHWAKAVDZNOB-WNRNVDISSA-N 2 1 296.499 3.482 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)CC(C)(C)C1 ZINC001246162493 804179244 /nfs/dbraw/zinc/17/92/44/804179244.db2.gz ZFEJYLBIPXMPEY-BVIKNXMNSA-N 2 1 294.483 3.092 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)C)C2)cc1Cl ZINC001246171842 804186642 /nfs/dbraw/zinc/18/66/42/804186642.db2.gz FIQUSLMAEMJJBG-ZFWWWQNUSA-N 2 1 296.842 3.215 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246174738 804188934 /nfs/dbraw/zinc/18/89/34/804188934.db2.gz DLCKMFSKYZICMP-RISCZKNCSA-N 2 1 284.806 3.142 20 0 CGADMP CCC(CC)([NH2+][C@H]1CC[C@@H](C)NC1)c1ccccc1 ZINC001246185679 804196564 /nfs/dbraw/zinc/19/65/64/804196564.db2.gz WHYDZSOFYTZTRG-ZBFHGGJFSA-N 2 1 260.425 3.432 20 0 CGADMP CCC(CC)([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC001246185679 804196569 /nfs/dbraw/zinc/19/65/69/804196569.db2.gz WHYDZSOFYTZTRG-ZBFHGGJFSA-N 2 1 260.425 3.432 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC[NH2+]1 ZINC001246185225 804197301 /nfs/dbraw/zinc/19/73/01/804197301.db2.gz BZEIANVLJATEOP-CVEARBPZSA-N 3 1 295.515 3.278 20 0 CGADMP CCC(CC)([NH2+][C@H]1CC[C@H](C)NC1)c1ccccc1 ZINC001246185646 804197466 /nfs/dbraw/zinc/19/74/66/804197466.db2.gz WHYDZSOFYTZTRG-HOCLYGCPSA-N 2 1 260.425 3.432 20 0 CGADMP CCC(CC)([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC001246185646 804197469 /nfs/dbraw/zinc/19/74/69/804197469.db2.gz WHYDZSOFYTZTRG-HOCLYGCPSA-N 2 1 260.425 3.432 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246187019 804198505 /nfs/dbraw/zinc/19/85/05/804198505.db2.gz FKYZYRWVDCNWEC-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@]1(C[NH2+]C2CCCCCCC2)CC[NH2+]CC1(F)F ZINC001246222241 804216311 /nfs/dbraw/zinc/21/63/11/804216311.db2.gz QIELHGOZWSFQPQ-CQSZACIVSA-N 2 1 274.399 3.324 20 0 CGADMP CC1(C)CCC([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)CC1 ZINC001246223692 804217949 /nfs/dbraw/zinc/21/79/49/804217949.db2.gz XJGVTEQKKFAYSJ-CQSZACIVSA-N 2 1 274.399 3.180 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)C)C2)c(F)c1 ZINC001246233702 804226455 /nfs/dbraw/zinc/22/64/55/804226455.db2.gz LIEOSLFOKDANRA-HOCLYGCPSA-N 2 1 264.388 3.000 20 0 CGADMP CC[C@H]([NH2+][C@H](C)CC[NH2+]C)c1cc(F)ccc1F ZINC001246268373 804247139 /nfs/dbraw/zinc/24/71/39/804247139.db2.gz PXIWVBWANGTFTC-YGRLFVJLSA-N 2 1 256.340 3.004 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001246268793 804247807 /nfs/dbraw/zinc/24/78/07/804247807.db2.gz XFPFRPKIUSWNJF-LLVKDONJSA-N 2 1 286.341 3.282 20 0 CGADMP [NH3+]CC1([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCCC1 ZINC001246285175 804257922 /nfs/dbraw/zinc/25/79/22/804257922.db2.gz FPDTWXGNDJBESC-HZPDHXFCSA-N 2 1 258.409 3.184 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cc1F ZINC001246313388 804275784 /nfs/dbraw/zinc/27/57/84/804275784.db2.gz FZMCIUIDQFVIGD-ITDIGPHOSA-N 2 1 268.351 3.146 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246333642 804289752 /nfs/dbraw/zinc/28/97/52/804289752.db2.gz WEJVRNAZHATRKV-DOMZBBRYSA-N 2 1 280.843 3.249 20 0 CGADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246342875 804294124 /nfs/dbraw/zinc/29/41/24/804294124.db2.gz TTYJISDKSHKLDJ-YNEHKIRRSA-N 2 1 280.378 3.475 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC1 ZINC001246344448 804295723 /nfs/dbraw/zinc/29/57/23/804295723.db2.gz ZJUVZFFRXWVQGY-CLRIEMFWSA-N 2 1 292.389 3.475 20 0 CGADMP C[C@@H]1CC([NH2+]C2(c3ccccc3F)CCC2)C[C@@H](C)[NH2+]1 ZINC001246365474 804304953 /nfs/dbraw/zinc/30/49/53/804304953.db2.gz KQVHMWCDOQUKFQ-CHWSQXEVSA-N 2 1 276.399 3.324 20 0 CGADMP Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246373371 804310224 /nfs/dbraw/zinc/31/02/24/804310224.db2.gz QPLBDEUWKOWLSV-GOEBONIOSA-N 2 1 260.425 3.046 20 0 CGADMP Clc1cnccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001246389956 804317346 /nfs/dbraw/zinc/31/73/46/804317346.db2.gz BVQASVYCTDGJPQ-TUURBPCVSA-N 2 1 291.826 3.059 20 0 CGADMP CCC1([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCC(F)(F)CC1 ZINC001246417370 804326417 /nfs/dbraw/zinc/32/64/17/804326417.db2.gz UTLZGYJIGSMZBG-RYUDHWBXSA-N 2 1 260.372 3.075 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)C[NH2+]1 ZINC001246438770 804334139 /nfs/dbraw/zinc/33/41/39/804334139.db2.gz ZWFXQWOELMBGHY-CJNGLKHVSA-N 2 1 278.415 3.125 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001140023787 804356435 /nfs/dbraw/zinc/35/64/35/804356435.db2.gz XPLXLILWZOAMIW-DOMZBBRYSA-N 2 1 273.355 3.113 20 0 CGADMP Cc1nccn1-c1ccccc1CN1C[C@@H](F)C[C@H]1C ZINC001140023787 804356441 /nfs/dbraw/zinc/35/64/41/804356441.db2.gz XPLXLILWZOAMIW-DOMZBBRYSA-N 2 1 273.355 3.113 20 0 CGADMP CCCCC[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246483442 804356479 /nfs/dbraw/zinc/35/64/79/804356479.db2.gz TWBZQJHYOKXGPD-CHWSQXEVSA-N 2 1 262.388 3.180 20 0 CGADMP Clc1ccc([C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246514127 804370048 /nfs/dbraw/zinc/37/00/48/804370048.db2.gz HFPDVFSJAQXIEZ-HZPDHXFCSA-N 2 1 278.827 3.175 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246518050 804371023 /nfs/dbraw/zinc/37/10/23/804371023.db2.gz CXOYLNWSMYFPFH-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP C[N@@H+](CCc1ccccc1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246520252 804373492 /nfs/dbraw/zinc/37/34/92/804373492.db2.gz SLRRPRYQAHRCDE-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246528704 804381106 /nfs/dbraw/zinc/38/11/06/804381106.db2.gz ZOECOMJXVKKCPQ-SJORKVTESA-N 2 1 260.425 3.203 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001246537369 804384873 /nfs/dbraw/zinc/38/48/73/804384873.db2.gz VZEHVNFPZQTRGX-KBPBESRZSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246540508 804386996 /nfs/dbraw/zinc/38/69/96/804386996.db2.gz AZUKTULJJKYIGO-GOEBONIOSA-N 2 1 270.420 3.280 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246543577 804392661 /nfs/dbraw/zinc/39/26/61/804392661.db2.gz ULNIROSZRXOGOQ-HZPDHXFCSA-N 2 1 278.827 3.011 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246546273 804395267 /nfs/dbraw/zinc/39/52/67/804395267.db2.gz JLGCBADISLDFQA-SIXLDLHFSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246546826 804396687 /nfs/dbraw/zinc/39/66/87/804396687.db2.gz APYRDFQRFURXFQ-RHSMWYFYSA-N 2 1 294.389 3.025 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246547468 804396782 /nfs/dbraw/zinc/39/67/82/804396782.db2.gz PUYLRFZDPXSDFY-SJORKVTESA-N 2 1 260.425 3.211 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCc3ccccc3CC2)CC1 ZINC001246549798 804400339 /nfs/dbraw/zinc/40/03/39/804400339.db2.gz NRAWOGWTDOISFV-GOSISDBHSA-N 2 1 290.426 3.087 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246550842 804400549 /nfs/dbraw/zinc/40/05/49/804400549.db2.gz ONCUZUNAIBQVPS-XJKSGUPXSA-N 2 1 298.833 3.424 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246551108 804400593 /nfs/dbraw/zinc/40/05/93/804400593.db2.gz KREDBJWQCDONFB-YOEHRIQHSA-N 2 1 294.389 3.025 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)CSc2ccc(F)cc2)C1 ZINC001246550622 804401079 /nfs/dbraw/zinc/40/10/79/804401079.db2.gz OBXKHSNCKMNBMD-KGLIPLIRSA-N 2 1 296.455 3.238 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001246551908 804402068 /nfs/dbraw/zinc/40/20/68/804402068.db2.gz SKLHRPIDBSETBI-UONOGXRCSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001246551908 804402074 /nfs/dbraw/zinc/40/20/74/804402074.db2.gz SKLHRPIDBSETBI-UONOGXRCSA-N 2 1 280.843 3.202 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001246551817 804402926 /nfs/dbraw/zinc/40/29/26/804402926.db2.gz RKTTXGPPTFGPGH-AVGNSLFASA-N 2 1 296.352 3.260 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246554550 804404260 /nfs/dbraw/zinc/40/42/60/804404260.db2.gz WIKGRMRTVKWPCJ-YOEHRIQHSA-N 2 1 294.389 3.025 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)CCc2ccc(C)cc2)C1 ZINC001246554039 804404416 /nfs/dbraw/zinc/40/44/16/804404416.db2.gz YQJMCJWEPHZZAW-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](C2CCC3(CCCC3)CC2)CCC1(F)F ZINC001246555481 804406070 /nfs/dbraw/zinc/40/60/70/804406070.db2.gz GVNCHRGEMKXVOF-ZDUSSCGKSA-N 2 1 286.410 3.405 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246558859 804407544 /nfs/dbraw/zinc/40/75/44/804407544.db2.gz ACXYJLHENAOQHN-HOTGVXAUSA-N 2 1 264.388 3.034 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246558859 804407546 /nfs/dbraw/zinc/40/75/46/804407546.db2.gz ACXYJLHENAOQHN-HOTGVXAUSA-N 2 1 264.388 3.034 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CC[C@@H]1C[NH3+] ZINC001246558652 804408014 /nfs/dbraw/zinc/40/80/14/804408014.db2.gz NVJAWODRGTYTKZ-SUYBPPKGSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC(C(F)(F)F)CC2)CC[C@H]1C[NH3+] ZINC001246561481 804409894 /nfs/dbraw/zinc/40/98/94/804409894.db2.gz TWGNKDJBOIAALO-KBHBFKLGSA-N 2 1 292.389 3.414 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246561921 804410216 /nfs/dbraw/zinc/41/02/16/804410216.db2.gz HEHYAXYKTMCUIP-VHDGCEQUSA-N 2 1 292.854 3.257 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246561833 804410232 /nfs/dbraw/zinc/41/02/32/804410232.db2.gz XCVBDEFRKCRPEL-XVSSEFHLSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246561833 804410235 /nfs/dbraw/zinc/41/02/35/804410235.db2.gz XCVBDEFRKCRPEL-XVSSEFHLSA-N 2 1 278.362 3.167 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](F)CC2)C[C@H](CC)[NH2+]1 ZINC001246561573 804410473 /nfs/dbraw/zinc/41/04/73/804410473.db2.gz WJXGBYHECFERCG-BYNSBNAKSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@H]2c2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC001246563370 804411413 /nfs/dbraw/zinc/41/14/13/804411413.db2.gz QGLJXPYFRCMCPY-XNJGSVPQSA-N 2 1 276.399 3.492 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246562329 804412235 /nfs/dbraw/zinc/41/22/35/804412235.db2.gz YLTDCBSMIAOKGS-NVXWUHKLSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246562329 804412238 /nfs/dbraw/zinc/41/22/38/804412238.db2.gz YLTDCBSMIAOKGS-NVXWUHKLSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)OC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246564770 804414314 /nfs/dbraw/zinc/41/43/14/804414314.db2.gz GLZSGEICSJQCJN-NJINODPHSA-N 2 1 282.472 3.029 20 0 CGADMP F[C@@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246569947 804416831 /nfs/dbraw/zinc/41/68/31/804416831.db2.gz XMPRGTFTVURWAJ-QQFBHYJXSA-N 2 1 268.420 3.123 20 0 CGADMP CC1CC([N@@H+](C)[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246570016 804417309 /nfs/dbraw/zinc/41/73/09/804417309.db2.gz GTYROWNXJAWYLW-MKFDVMFOSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CCC[C@@H]1C[NH3+] ZINC001246570157 804417708 /nfs/dbraw/zinc/41/77/08/804417708.db2.gz SYWWZRLGBBUWDX-YUELXQCFSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1C ZINC001246571289 804419366 /nfs/dbraw/zinc/41/93/66/804419366.db2.gz IIHRSRFQHOBQCP-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1F ZINC001246574383 804420707 /nfs/dbraw/zinc/42/07/07/804420707.db2.gz XYTRBLHNWUFRPR-YYIAUSFCSA-N 2 1 276.399 3.084 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1F ZINC001246574383 804420711 /nfs/dbraw/zinc/42/07/11/804420711.db2.gz XYTRBLHNWUFRPR-YYIAUSFCSA-N 2 1 276.399 3.084 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246575124 804422942 /nfs/dbraw/zinc/42/29/42/804422942.db2.gz VPGMHAGHNJTALX-STQMWFEESA-N 2 1 298.883 3.362 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246575124 804422945 /nfs/dbraw/zinc/42/29/45/804422945.db2.gz VPGMHAGHNJTALX-STQMWFEESA-N 2 1 298.883 3.362 20 0 CGADMP CCC1CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246578973 804424138 /nfs/dbraw/zinc/42/41/38/804424138.db2.gz DIWHNAGRKOPGKY-GPANFISMSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246578956 804424363 /nfs/dbraw/zinc/42/43/63/804424363.db2.gz DDFUDKOQAAZBEF-ROUUACIJSA-N 2 1 290.426 3.134 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246577291 804424587 /nfs/dbraw/zinc/42/45/87/804424587.db2.gz NXZCUPJKMZAULM-WMLDXEAASA-N 2 1 278.415 3.208 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246581520 804426125 /nfs/dbraw/zinc/42/61/25/804426125.db2.gz QJWBSIYNWPQUAA-DLBZAZTESA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246585759 804429308 /nfs/dbraw/zinc/42/93/08/804429308.db2.gz QINKHDDGOJVABT-WMLDXEAASA-N 2 1 278.415 3.208 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246585721 804429704 /nfs/dbraw/zinc/42/97/04/804429704.db2.gz QAKIRWLEKVAOIA-ZFWWWQNUSA-N 2 1 272.502 3.358 20 0 CGADMP C[C@@]1(F)CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1F ZINC001246591807 804433120 /nfs/dbraw/zinc/43/31/20/804433120.db2.gz XSLZFWODBCSSAO-LVDPKSTMSA-N 2 1 286.410 3.071 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246591640 804434197 /nfs/dbraw/zinc/43/41/97/804434197.db2.gz NHPIKVNTTCOHPX-UMVBOHGHSA-N 2 1 292.854 3.257 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246593865 804434508 /nfs/dbraw/zinc/43/45/08/804434508.db2.gz TWTVAPGPVAXFJJ-VNHYZAJKSA-N 2 1 292.854 3.257 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246596486 804437617 /nfs/dbraw/zinc/43/76/17/804437617.db2.gz ZOQRKYPHFSDPHF-RRFJBIMHSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246596486 804437618 /nfs/dbraw/zinc/43/76/18/804437618.db2.gz ZOQRKYPHFSDPHF-RRFJBIMHSA-N 2 1 258.425 3.497 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598863 804439136 /nfs/dbraw/zinc/43/91/36/804439136.db2.gz BJLJQMRQRQYZQA-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001246607582 804443697 /nfs/dbraw/zinc/44/36/97/804443697.db2.gz RBZNZNAMWRLXAH-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246614191 804448136 /nfs/dbraw/zinc/44/81/36/804448136.db2.gz MSPABQDVNXYAAC-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)C[C@H](C)C1 ZINC001246618291 804452063 /nfs/dbraw/zinc/45/20/63/804452063.db2.gz JSLJFMUXBMDNBS-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246619928 804453108 /nfs/dbraw/zinc/45/31/08/804453108.db2.gz MTUNAJWKGPXHJE-VYDXJSESSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246620751 804453828 /nfs/dbraw/zinc/45/38/28/804453828.db2.gz OGNIBGQSXAVOOG-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246624594 804456845 /nfs/dbraw/zinc/45/68/45/804456845.db2.gz VLXQYCOPOUWNNA-IRXDYDNUSA-N 2 1 282.472 3.190 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246624594 804456849 /nfs/dbraw/zinc/45/68/49/804456849.db2.gz VLXQYCOPOUWNNA-IRXDYDNUSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624405 804456903 /nfs/dbraw/zinc/45/69/03/804456903.db2.gz PGTTXOFCUCRFNQ-PVXIVEMSSA-N 2 1 296.817 3.094 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624405 804456908 /nfs/dbraw/zinc/45/69/08/804456908.db2.gz PGTTXOFCUCRFNQ-PVXIVEMSSA-N 2 1 296.817 3.094 20 0 CGADMP c1ccc(C[C@H]2C[C@@H]([N@H+]3CCC34CCCC4)CC[NH2+]2)cc1 ZINC001246626894 804458198 /nfs/dbraw/zinc/45/81/98/804458198.db2.gz UFEQXJDNEWGTMM-ROUUACIJSA-N 2 1 284.447 3.368 20 0 CGADMP C1[NH2+]CC12CC[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001246631078 804462300 /nfs/dbraw/zinc/46/23/00/804462300.db2.gz OQGGWUNUXRPIPK-HNNXBMFYSA-N 2 1 262.441 3.175 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246632193 804462511 /nfs/dbraw/zinc/46/25/11/804462511.db2.gz UUAPZUNYMKGZOO-TYNCELHUSA-N 2 1 296.867 3.114 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246632193 804462514 /nfs/dbraw/zinc/46/25/14/804462514.db2.gz UUAPZUNYMKGZOO-TYNCELHUSA-N 2 1 296.867 3.114 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246632443 804462613 /nfs/dbraw/zinc/46/26/13/804462613.db2.gz YJFAANQTLHGBPN-LVQVYYBASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C[C@@H]1C ZINC001246641845 804468673 /nfs/dbraw/zinc/46/86/73/804468673.db2.gz GMAIXQAZBVHZOS-UGUYLWEFSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246642662 804470414 /nfs/dbraw/zinc/47/04/14/804470414.db2.gz IVOSQKIXXFVZDA-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246647884 804475626 /nfs/dbraw/zinc/47/56/26/804475626.db2.gz UVCMAKSYLMXMCA-CQSZACIVSA-N 2 1 292.854 3.489 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246649532 804476843 /nfs/dbraw/zinc/47/68/43/804476843.db2.gz CMFDEMJOTVVZLQ-UXHICEINSA-N 2 1 298.474 3.460 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@@]34CCC[NH2+]C4)C[C@@H]21 ZINC001246653088 804478632 /nfs/dbraw/zinc/47/86/32/804478632.db2.gz QXUWEEGCWXAPQB-IVSAIRAKSA-N 2 1 262.441 3.029 20 0 CGADMP CCCC[C@H](CC(C)C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246651093 804478887 /nfs/dbraw/zinc/47/88/87/804478887.db2.gz WONJQIJQWYBMMS-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C1C[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]2C1 ZINC001246655079 804480530 /nfs/dbraw/zinc/48/05/30/804480530.db2.gz JSKRGULNQSWMBM-HZPDHXFCSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655412 804480606 /nfs/dbraw/zinc/48/06/06/804480606.db2.gz LGOQCRHMPCSQGB-TUKIKUTGSA-N 2 1 298.352 3.060 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655412 804480610 /nfs/dbraw/zinc/48/06/10/804480610.db2.gz LGOQCRHMPCSQGB-TUKIKUTGSA-N 2 1 298.352 3.060 20 0 CGADMP CCC1CCC([N@H+]2CCCC23CC[NH2+]CC3)CC1 ZINC001246657677 804482224 /nfs/dbraw/zinc/48/22/24/804482224.db2.gz XLWKWUQCKUKQJA-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246659267 804483810 /nfs/dbraw/zinc/48/38/10/804483810.db2.gz WQBPAYNDYHBCIF-ZJIFWQFVSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1CC([N@H+]2CC[C@@H]3CCC[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246659267 804483816 /nfs/dbraw/zinc/48/38/16/804483816.db2.gz WQBPAYNDYHBCIF-ZJIFWQFVSA-N 2 1 264.457 3.418 20 0 CGADMP C1[C@H]2CC[NH2+]C[C@H]2[N@H+]1[C@@H]1CCCC2(CCCCC2)C1 ZINC001246664100 804486477 /nfs/dbraw/zinc/48/64/77/804486477.db2.gz OLONGJLYHMQICY-BZUAXINKSA-N 2 1 262.441 3.173 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)C2)cc1 ZINC001246669896 804487758 /nfs/dbraw/zinc/48/77/58/804487758.db2.gz CLXLYEATZTUGLU-BDXSIMOUSA-N 2 1 270.420 3.007 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246676712 804491388 /nfs/dbraw/zinc/49/13/88/804491388.db2.gz FUOIEYNXQVNLHV-HKUYNNGSSA-N 2 1 286.463 3.329 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246676262 804491466 /nfs/dbraw/zinc/49/14/66/804491466.db2.gz DAUIKUWZESIWAY-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246676714 804491561 /nfs/dbraw/zinc/49/15/61/804491561.db2.gz FUOIEYNXQVNLHV-MJGOQNOKSA-N 2 1 286.463 3.329 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246679256 804494474 /nfs/dbraw/zinc/49/44/74/804494474.db2.gz SAEKADAWQQETQS-PMPSAXMXSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246685710 804495845 /nfs/dbraw/zinc/49/58/45/804495845.db2.gz AWPVIYJBSCYYHJ-JYJNAYRXSA-N 2 1 268.420 3.145 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692197 804498788 /nfs/dbraw/zinc/49/87/88/804498788.db2.gz MZOFIMHQMBGUFA-JYJNAYRXSA-N 2 1 270.436 3.225 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC001246748026 804500302 /nfs/dbraw/zinc/50/03/02/804500302.db2.gz NQXPYZIJDMKDSN-SFHVURJKSA-N 2 1 298.474 3.417 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246767845 804500337 /nfs/dbraw/zinc/50/03/37/804500337.db2.gz CKXJLBNYQXKFMR-QZTJIDSGSA-N 2 1 272.436 3.349 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)C[C@H](CC)[NH2+]1 ZINC001246756898 804500526 /nfs/dbraw/zinc/50/05/26/804500526.db2.gz AMERWRNYBORYNW-IYYNEKPFSA-N 2 1 294.483 3.043 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246770806 804502937 /nfs/dbraw/zinc/50/29/37/804502937.db2.gz SMMDPTLPRDDNSJ-FVQHAEBGSA-N 2 1 290.451 3.436 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001246774425 804504769 /nfs/dbraw/zinc/50/47/69/804504769.db2.gz FEGMZTIFYNVJHY-VIQWUECVSA-N 2 1 286.463 3.472 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246779379 804507044 /nfs/dbraw/zinc/50/70/44/804507044.db2.gz ZWWNNUDYXVQUKQ-ZWKOTPCHSA-N 2 1 284.447 3.083 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246790787 804513713 /nfs/dbraw/zinc/51/37/13/804513713.db2.gz MXOWWROFEQTDJO-OWCLPIDISA-N 2 1 252.446 3.418 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246788927 804513981 /nfs/dbraw/zinc/51/39/81/804513981.db2.gz ABWDPYRRSHTXJN-HDYDNRTBSA-N 2 1 298.474 3.473 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccs2)CC[NH2+]1 ZINC001246790495 804514385 /nfs/dbraw/zinc/51/43/85/804514385.db2.gz WWAMKYWBYJTWHK-FRRDWIJNSA-N 2 1 250.411 3.026 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246792935 804515186 /nfs/dbraw/zinc/51/51/86/804515186.db2.gz SNCOPYTVMJWZHB-FHWLQOOXSA-N 2 1 286.463 3.328 20 0 CGADMP c1cc2c(s1)C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)CC2 ZINC001246794782 804518035 /nfs/dbraw/zinc/51/80/35/804518035.db2.gz GZYGOXDOHXDHMH-UHFFFAOYSA-N 2 1 290.476 3.419 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246795073 804518185 /nfs/dbraw/zinc/51/81/85/804518185.db2.gz HLQYIIMFVUTMGZ-WDEREUQCSA-N 2 1 287.234 3.205 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC001246796024 804518824 /nfs/dbraw/zinc/51/88/24/804518824.db2.gz DWQUXKPELMUXSO-LBPRGKRZSA-N 2 1 298.833 3.484 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246798417 804519640 /nfs/dbraw/zinc/51/96/40/804519640.db2.gz SZCBNONPTSGXDP-INIZCTEOSA-N 2 1 260.425 3.082 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(CCC2)CC1 ZINC001140801886 804521301 /nfs/dbraw/zinc/52/13/01/804521301.db2.gz JRMWDXQBBKOUBL-UHFFFAOYSA-N 2 1 255.365 3.329 20 0 CGADMP C[N@@H+](CC1CCC1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246803426 804523383 /nfs/dbraw/zinc/52/33/83/804523383.db2.gz JZCMFECCTBYYLI-ZWKOTPCHSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC001246810098 804527255 /nfs/dbraw/zinc/52/72/55/804527255.db2.gz MOOYGQSSKJHJHS-MELADBBJSA-N 2 1 278.827 3.270 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246812443 804529317 /nfs/dbraw/zinc/52/93/17/804529317.db2.gz DFMMGCBYXAUAFK-ROUUACIJSA-N 2 1 274.452 3.246 20 0 CGADMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246812883 804530277 /nfs/dbraw/zinc/53/02/77/804530277.db2.gz JUVCROWAQOKWEV-GVDBMIGSSA-N 2 1 258.409 3.007 20 0 CGADMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246812883 804530283 /nfs/dbraw/zinc/53/02/83/804530283.db2.gz JUVCROWAQOKWEV-GVDBMIGSSA-N 2 1 258.409 3.007 20 0 CGADMP c1ccc([C@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246815491 804531955 /nfs/dbraw/zinc/53/19/55/804531955.db2.gz DCUVPXZSMZKFCB-OTWHNJEPSA-N 2 1 284.447 3.398 20 0 CGADMP Cc1ccc(CC[N@H+](C)C2CCC3(C[NH2+]C3)CC2)cc1 ZINC001246815109 804532308 /nfs/dbraw/zinc/53/23/08/804532308.db2.gz WIRBFSSJDXXQNU-UHFFFAOYSA-N 2 1 272.436 3.002 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246825396 804536634 /nfs/dbraw/zinc/53/66/34/804536634.db2.gz VDEHTICFAVSAMY-QGZVFWFLSA-N 2 1 290.426 3.222 20 0 CGADMP CC[C@H]1CC([N@@H+]2Cc3cccc(F)c3C2)C[C@H](CC)[NH2+]1 ZINC001246825544 804536848 /nfs/dbraw/zinc/53/68/48/804536848.db2.gz VQWFTRHEAIIJEQ-KBPBESRZSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@H]1CC([N@H+]2Cc3cccc(F)c3C2)C[C@H](CC)[NH2+]1 ZINC001246825544 804536850 /nfs/dbraw/zinc/53/68/50/804536850.db2.gz VQWFTRHEAIIJEQ-KBPBESRZSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC3(CCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246828641 804538740 /nfs/dbraw/zinc/53/87/40/804538740.db2.gz DWXHILVYDLXRQQ-FICVDOATSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246827391 804538896 /nfs/dbraw/zinc/53/88/96/804538896.db2.gz KUIMLWHUJBBEHE-PIIMJCKOSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246827391 804538902 /nfs/dbraw/zinc/53/89/02/804538902.db2.gz KUIMLWHUJBBEHE-PIIMJCKOSA-N 2 1 290.426 3.493 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246827646 804539636 /nfs/dbraw/zinc/53/96/36/804539636.db2.gz QCJMVGFNBQNAFD-ZWKOTPCHSA-N 2 1 288.410 3.106 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246839354 804548220 /nfs/dbraw/zinc/54/82/20/804548220.db2.gz ABPPANFGUMOFCD-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246842634 804550729 /nfs/dbraw/zinc/55/07/29/804550729.db2.gz UIYRZHUHAVOQFM-CIRFHOKZSA-N 2 1 272.436 3.458 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246842634 804550732 /nfs/dbraw/zinc/55/07/32/804550732.db2.gz UIYRZHUHAVOQFM-CIRFHOKZSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@H+](C[C@@H]1CC1(C)C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246843426 804551441 /nfs/dbraw/zinc/55/14/41/804551441.db2.gz CHWHOGDUFKCHFH-YESZJQIVSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246843426 804551444 /nfs/dbraw/zinc/55/14/44/804551444.db2.gz CHWHOGDUFKCHFH-YESZJQIVSA-N 2 1 272.436 3.458 20 0 CGADMP CCC(CC)[N@@H+](C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246847538 804555471 /nfs/dbraw/zinc/55/54/71/804555471.db2.gz TYCZCUVMMCGDNJ-SJLPKXTDSA-N 2 1 274.452 3.470 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246846163 804555827 /nfs/dbraw/zinc/55/58/27/804555827.db2.gz QBNNAQDERQIFRW-QZTJIDSGSA-N 2 1 284.447 3.398 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246847724 804558474 /nfs/dbraw/zinc/55/84/74/804558474.db2.gz LYFHFCNPCQJERS-ROUUACIJSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@@H+]([C@@H]1CSC2(C[NH2+]C2)C1)C1CCC(C(C)(C)C)CC1 ZINC001246852486 804562033 /nfs/dbraw/zinc/56/20/33/804562033.db2.gz DWQBRASFNBYUDV-NRXISQOPSA-N 2 1 296.524 3.371 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001246852618 804562094 /nfs/dbraw/zinc/56/20/94/804562094.db2.gz RHYHKNZSZAZIFW-CZUORRHYSA-N 2 1 296.842 3.181 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246853571 804563207 /nfs/dbraw/zinc/56/32/07/804563207.db2.gz RIELHOFHVKYVGU-YXJHDRRASA-N 2 1 290.451 3.465 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246863782 804568044 /nfs/dbraw/zinc/56/80/44/804568044.db2.gz NDUMLVCSOJBANV-HZPDHXFCSA-N 2 1 264.388 3.178 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246866518 804568930 /nfs/dbraw/zinc/56/89/30/804568930.db2.gz KQUMQXVRZGOPDW-GBESFXJTSA-N 2 1 286.463 3.328 20 0 CGADMP C1C[C@H](C2CCCCC2)[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246866410 804569192 /nfs/dbraw/zinc/56/91/92/804569192.db2.gz TZMDVNRTKQDXES-YYIAUSFCSA-N 2 1 262.441 3.314 20 0 CGADMP C[C@H]1CC([N@H+]2Cc3ccccc3C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246870532 804571442 /nfs/dbraw/zinc/57/14/42/804571442.db2.gz LUHQXUOJFNOFCV-KBPBESRZSA-N 2 1 272.436 3.309 20 0 CGADMP CC1(C)C[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246871378 804573043 /nfs/dbraw/zinc/57/30/43/804573043.db2.gz RPIPWKPILNUYTP-INIZCTEOSA-N 2 1 284.447 3.455 20 0 CGADMP CCC[N@@H+]([C@@H](C)Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246901135 804588802 /nfs/dbraw/zinc/58/88/02/804588802.db2.gz YZVBOSRWUBRKIP-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001246905623 804589546 /nfs/dbraw/zinc/58/95/46/804589546.db2.gz DKWAEOXYPQSMQY-KKUMJFAQSA-N 2 1 292.854 3.399 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246905300 804589923 /nfs/dbraw/zinc/58/99/23/804589923.db2.gz CWCXIYGKTGMWEB-INIZCTEOSA-N 2 1 260.425 3.082 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246911075 804595012 /nfs/dbraw/zinc/59/50/12/804595012.db2.gz DTFOYNLMBVVPRO-MIFYACCESA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]([C@@H]1CCc2c(Cl)cccc2C1)C1(C)CC[NH2+]CC1 ZINC001246912704 804597598 /nfs/dbraw/zinc/59/75/98/804597598.db2.gz VGGWRIOPWZZJDO-CQSZACIVSA-N 2 1 292.854 3.271 20 0 CGADMP FC(F)(F)C1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246930542 804605333 /nfs/dbraw/zinc/60/53/33/804605333.db2.gz KHDZYPUQQUINSJ-VTXSZYRJSA-N 2 1 290.373 3.039 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246943966 804612595 /nfs/dbraw/zinc/61/25/95/804612595.db2.gz SOAQEZONCBZBLL-SUMWQHHRSA-N 2 1 292.854 3.129 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)C[C@H](C)CC(C)C ZINC001246944762 804612646 /nfs/dbraw/zinc/61/26/46/804612646.db2.gz VIZCVUDZGYJDOP-BZUAXINKSA-N 2 1 254.462 3.379 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(F)cc1Cl ZINC001246950208 804616220 /nfs/dbraw/zinc/61/62/20/804616220.db2.gz VYKYZHLMURQMNL-CHWSQXEVSA-N 2 1 298.833 3.342 20 0 CGADMP CC[N@@H+](Cc1ccncc1)Cc1cccc(-n2ccnc2)c1 ZINC001141236413 804621201 /nfs/dbraw/zinc/62/12/01/804621201.db2.gz CELCODGHVOINFQ-UHFFFAOYSA-N 2 1 292.386 3.289 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001246972288 804622600 /nfs/dbraw/zinc/62/26/00/804622600.db2.gz CRENUZNKSUEFAS-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246978653 804625146 /nfs/dbraw/zinc/62/51/46/804625146.db2.gz ITKYIBILHJWXNN-VNTMZGSJSA-N 2 1 298.474 3.329 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CC(C)(C)SC ZINC001246977659 804625847 /nfs/dbraw/zinc/62/58/47/804625847.db2.gz SUNBTTPHFGLMQJ-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC001246977992 804626278 /nfs/dbraw/zinc/62/62/78/804626278.db2.gz GTQXCROGIQCHIM-BHIYHBOVSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2ccc(C)cc2C1 ZINC001246997657 804633074 /nfs/dbraw/zinc/63/30/74/804633074.db2.gz WZSNPDGLIYNABR-LPHOPBHVSA-N 2 1 286.463 3.174 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001246997293 804633165 /nfs/dbraw/zinc/63/31/65/804633165.db2.gz LVLRVZUEIOCDOF-KBXCAEBGSA-N 2 1 290.426 3.104 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC001247002176 804636026 /nfs/dbraw/zinc/63/60/26/804636026.db2.gz SBIOWFUVXSPPIM-SZMVWBNQSA-N 2 1 272.436 3.382 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247005028 804637228 /nfs/dbraw/zinc/63/72/28/804637228.db2.gz SWSLDBJVONUPFH-ZWKOTPCHSA-N 2 1 274.452 3.459 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)C2)cc1 ZINC001247012147 804639909 /nfs/dbraw/zinc/63/99/09/804639909.db2.gz CCTFDJPYLQEJAO-XWSJACJDSA-N 2 1 284.447 3.397 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012459 804639974 /nfs/dbraw/zinc/63/99/74/804639974.db2.gz DSTSVALJSBHNFQ-RFQIPJPRSA-N 2 1 290.373 3.181 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012459 804639976 /nfs/dbraw/zinc/63/99/76/804639976.db2.gz DSTSVALJSBHNFQ-RFQIPJPRSA-N 2 1 290.373 3.181 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143257440 804829267 /nfs/dbraw/zinc/82/92/67/804829267.db2.gz UQXAYJGHZSOTSK-GJZGRUSLSA-N 2 1 280.362 3.008 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861434 806993497 /nfs/dbraw/zinc/99/34/97/806993497.db2.gz OFWDIZSUQZTPAS-AWEZNQCLSA-N 2 1 273.424 3.028 20 0 CGADMP C1CCC([N@@H+]2CCC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 ZINC001256908178 807006236 /nfs/dbraw/zinc/00/62/36/807006236.db2.gz IIKKPEZALWALJO-JYYAWHABSA-N 2 1 262.441 3.172 20 0 CGADMP C1CCC([N@H+]2CCC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 ZINC001256908178 807006239 /nfs/dbraw/zinc/00/62/39/807006239.db2.gz IIKKPEZALWALJO-JYYAWHABSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001257215424 807061530 /nfs/dbraw/zinc/06/15/30/807061530.db2.gz WAFOPEATROSALX-ZDUSSCGKSA-N 2 1 296.352 3.083 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001257213617 807062237 /nfs/dbraw/zinc/06/22/37/807062237.db2.gz RMGFKUXKZRUBTH-HNNXBMFYSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001257213617 807062245 /nfs/dbraw/zinc/06/22/45/807062245.db2.gz RMGFKUXKZRUBTH-HNNXBMFYSA-N 2 1 272.436 3.479 20 0 CGADMP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001257310481 807100012 /nfs/dbraw/zinc/10/00/12/807100012.db2.gz FNCWBMYYVHOMOX-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001257371023 807129281 /nfs/dbraw/zinc/12/92/81/807129281.db2.gz BLVRVBOXMXVIBQ-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH2+]Cc1cccc(Nc2cc(OC(C)C)cc[nH+]2)c1 ZINC001167032814 807132607 /nfs/dbraw/zinc/13/26/07/807132607.db2.gz ATTANDSWKSJHRL-UHFFFAOYSA-N 2 1 271.364 3.332 20 0 CGADMP COc1ccccc1C1([NH3+])CC[NH+](C2CCCCC2)CC1 ZINC001257452813 807164584 /nfs/dbraw/zinc/16/45/84/807164584.db2.gz QGKLVTPXANYZSJ-UHFFFAOYSA-N 2 1 288.435 3.278 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001167824716 807256018 /nfs/dbraw/zinc/25/60/18/807256018.db2.gz FVOUQBYEZWXBSC-AEFFLSMTSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC001167827837 807257564 /nfs/dbraw/zinc/25/75/64/807257564.db2.gz YFMLCYZQYZRWHV-QZTJIDSGSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001167827837 807257568 /nfs/dbraw/zinc/25/75/68/807257568.db2.gz YFMLCYZQYZRWHV-QZTJIDSGSA-N 2 1 295.515 3.057 20 0 CGADMP Cc1cc2c(cn1)[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258008083 807265164 /nfs/dbraw/zinc/26/51/64/807265164.db2.gz CYYCSBRYTJYKGN-SFHVURJKSA-N 2 1 287.451 3.087 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)C[C@H](C)CC(C)C ZINC001258053217 807279259 /nfs/dbraw/zinc/27/92/59/807279259.db2.gz VBCYYAUIDYZWIS-CHWSQXEVSA-N 2 1 251.418 3.326 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)C[C@@H](C)CC(C)C ZINC001258053220 807279299 /nfs/dbraw/zinc/27/92/99/807279299.db2.gz VBCYYAUIDYZWIS-STQMWFEESA-N 2 1 251.418 3.326 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168093528 807309108 /nfs/dbraw/zinc/30/91/08/807309108.db2.gz NGMVJNFIZWVUCQ-AHCXZYCDSA-N 2 1 294.483 3.459 20 0 CGADMP C[C@@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC001258159530 807329260 /nfs/dbraw/zinc/32/92/60/807329260.db2.gz ZCJUCOVGDDXDLU-XPYWIHLFSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC001258159530 807329265 /nfs/dbraw/zinc/32/92/65/807329265.db2.gz ZCJUCOVGDDXDLU-XPYWIHLFSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001168192016 807343188 /nfs/dbraw/zinc/34/31/88/807343188.db2.gz LIBLVLUGPKZFRY-CQSZACIVSA-N 2 1 292.854 3.441 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001168327893 807385287 /nfs/dbraw/zinc/38/52/87/807385287.db2.gz SJLUASXQXQEXON-FAEJEUNOSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1cncc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)c1 ZINC001168372485 807397884 /nfs/dbraw/zinc/39/78/84/807397884.db2.gz YPESSKHMKROHAK-LJQANCHMSA-N 2 1 299.462 3.305 20 0 CGADMP C(C1CC1)[NH+]1CCC([N@H+]2CCCC3(CCC3)C2)CC1 ZINC001168394746 807402786 /nfs/dbraw/zinc/40/27/86/807402786.db2.gz FQOBFIPTRVRNGW-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H]1CCc2cc(F)ccc2C1)C(C)C ZINC001168400346 807404713 /nfs/dbraw/zinc/40/47/13/807404713.db2.gz MWSLRTQGZSVVSQ-SFHVURJKSA-N 2 1 292.442 3.391 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168454868 807421649 /nfs/dbraw/zinc/42/16/49/807421649.db2.gz BJKDWPNHFJYAGJ-OAHLLOKOSA-N 2 1 280.431 3.468 20 0 CGADMP CSC(C)(C)C[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258345692 807421755 /nfs/dbraw/zinc/42/17/55/807421755.db2.gz PRPLXKMYKAVPHK-GFCCVEGCSA-N 2 1 281.469 3.443 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CC(C)(C)SC ZINC001258346535 807422888 /nfs/dbraw/zinc/42/28/88/807422888.db2.gz SODRPACBUMYVLX-CYBMUJFWSA-N 2 1 260.491 3.180 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349038 807422987 /nfs/dbraw/zinc/42/29/87/807422987.db2.gz KQUJLIVIKOPDEJ-SOUVJXGZSA-N 2 1 284.513 3.180 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349038 807422989 /nfs/dbraw/zinc/42/29/89/807422989.db2.gz KQUJLIVIKOPDEJ-SOUVJXGZSA-N 2 1 284.513 3.180 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349038 807422990 /nfs/dbraw/zinc/42/29/90/807422990.db2.gz KQUJLIVIKOPDEJ-SOUVJXGZSA-N 2 1 284.513 3.180 20 0 CGADMP CCCC1CCC([N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)CC1 ZINC001258533636 807488574 /nfs/dbraw/zinc/48/85/74/807488574.db2.gz DHSLYJAMOHGJQH-MNAZLIDISA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC[NH3+])C(C)C ZINC001258649989 807522491 /nfs/dbraw/zinc/52/24/91/807522491.db2.gz WNSBHQMZUMYSKQ-QGZVFWFLSA-N 2 1 262.441 3.457 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC001169051208 807560303 /nfs/dbraw/zinc/56/03/03/807560303.db2.gz VLPUGWSYSMLZDX-GOSISDBHSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082016 807569073 /nfs/dbraw/zinc/56/90/73/807569073.db2.gz XHEUEPBTMWTJJY-JKJDWNRSSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CCC(F)(F)CC1)C2 ZINC001169090725 807571191 /nfs/dbraw/zinc/57/11/91/807571191.db2.gz LVUKFVADHSVFIY-ZSOGYDGISA-N 2 1 272.383 3.027 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095386 807573620 /nfs/dbraw/zinc/57/36/20/807573620.db2.gz QOILWXKVRHBTTI-OSYLJGHBSA-N 2 1 258.409 3.018 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cccc3F)C2 ZINC001169099568 807575830 /nfs/dbraw/zinc/57/58/30/807575830.db2.gz BRAOPIHEYBLQHR-KOFHJDLBSA-N 2 1 274.383 3.028 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1F)C1CC1)C2 ZINC001169107619 807578759 /nfs/dbraw/zinc/57/87/59/807578759.db2.gz IISZUWHOIPUQRV-ZXFNITATSA-N 2 1 288.410 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1F)C1CC1)C2 ZINC001169107619 807578764 /nfs/dbraw/zinc/57/87/64/807578764.db2.gz IISZUWHOIPUQRV-ZXFNITATSA-N 2 1 288.410 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCc3ccccc3C1)C2 ZINC001169115300 807580643 /nfs/dbraw/zinc/58/06/43/807580643.db2.gz IIRRYOKVLGRZEG-AXUOBQJMSA-N 2 1 284.447 3.006 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCc3ccccc3C1)C2 ZINC001169115301 807581275 /nfs/dbraw/zinc/58/12/75/807581275.db2.gz IIRRYOKVLGRZEG-DQEVTTJGSA-N 2 1 284.447 3.006 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(F)cc3)CC1)C2 ZINC001169120198 807583882 /nfs/dbraw/zinc/58/38/82/807583882.db2.gz ZKDOEAMZFVBFKN-OSYLJGHBSA-N 2 1 288.410 3.116 20 0 CGADMP CC(C)C[NH+](CC(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125362 807585463 /nfs/dbraw/zinc/58/54/63/807585463.db2.gz ZUDRCFFGPVTUGU-ZSHCYNCHSA-N 2 1 252.446 3.226 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccccc1)C2 ZINC001169140202 807588181 /nfs/dbraw/zinc/58/81/81/807588181.db2.gz IUEOHTCMXJGCGZ-XMTFNYHQSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1ccccc1)C2 ZINC001169140202 807588185 /nfs/dbraw/zinc/58/81/85/807588185.db2.gz IUEOHTCMXJGCGZ-XMTFNYHQSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1ccccc1)C2 ZINC001169140202 807588187 /nfs/dbraw/zinc/58/81/87/807588187.db2.gz IUEOHTCMXJGCGZ-XMTFNYHQSA-N 2 1 270.420 3.449 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141452 807588499 /nfs/dbraw/zinc/58/84/99/807588499.db2.gz QNOCENJGTBCCAY-WCVJEAGWSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141452 807588504 /nfs/dbraw/zinc/58/85/04/807588504.db2.gz QNOCENJGTBCCAY-WCVJEAGWSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141452 807588508 /nfs/dbraw/zinc/58/85/08/807588508.db2.gz QNOCENJGTBCCAY-WCVJEAGWSA-N 2 1 288.410 3.240 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C)[C@@H](C)C2)CC1 ZINC001258772354 807605202 /nfs/dbraw/zinc/60/52/02/807605202.db2.gz OHEUVJSBIDBSLA-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP CCCN1CCC([N@H+]2CCC(=O)[C@@H](C)C23CCCC3)CC1 ZINC001258778022 807606228 /nfs/dbraw/zinc/60/62/28/807606228.db2.gz RRICRQSJVZCRNI-OAHLLOKOSA-N 2 1 292.467 3.085 20 0 CGADMP CCC[NH+]1CCC(N2CCC(=O)[C@@H](C)C23CCCC3)CC1 ZINC001258778022 807606231 /nfs/dbraw/zinc/60/62/31/807606231.db2.gz RRICRQSJVZCRNI-OAHLLOKOSA-N 2 1 292.467 3.085 20 0 CGADMP CCCN1CCC([N@@H+](CCC)CCc2ccccn2)CC1 ZINC001258776102 807606287 /nfs/dbraw/zinc/60/62/87/807606287.db2.gz UDPHLYFZILLGLS-UHFFFAOYSA-N 2 1 289.467 3.211 20 0 CGADMP CCC[N@H+](CCc1ccccn1)C1CC[NH+](CCC)CC1 ZINC001258776102 807606290 /nfs/dbraw/zinc/60/62/90/807606290.db2.gz UDPHLYFZILLGLS-UHFFFAOYSA-N 2 1 289.467 3.211 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)C1CC[NH+](CCC)CC1 ZINC001258776102 807606293 /nfs/dbraw/zinc/60/62/93/807606293.db2.gz UDPHLYFZILLGLS-UHFFFAOYSA-N 2 1 289.467 3.211 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)COc2c(C)cccc2C)CC1 ZINC001169229548 807610318 /nfs/dbraw/zinc/61/03/18/807610318.db2.gz AUELPNJMQUVKGD-INIZCTEOSA-N 2 1 290.451 3.145 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258786206 807611739 /nfs/dbraw/zinc/61/17/39/807611739.db2.gz ZLENZYCVEFKZPO-LVQVYYBASA-N 2 1 282.472 3.172 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001169258952 807616288 /nfs/dbraw/zinc/61/62/88/807616288.db2.gz VXXDYXBUYNUUOQ-QGZVFWFLSA-N 2 1 272.436 3.035 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001169258952 807616291 /nfs/dbraw/zinc/61/62/91/807616291.db2.gz VXXDYXBUYNUUOQ-QGZVFWFLSA-N 2 1 272.436 3.035 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC001258814540 807632658 /nfs/dbraw/zinc/63/26/58/807632658.db2.gz PTJFGKJZOUUNSF-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC001258814540 807632661 /nfs/dbraw/zinc/63/26/61/807632661.db2.gz PTJFGKJZOUUNSF-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001258816255 807633390 /nfs/dbraw/zinc/63/33/90/807633390.db2.gz ANLYPNAPKSSXHW-PMPSAXMXSA-N 2 1 252.446 3.406 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258844242 807655428 /nfs/dbraw/zinc/65/54/28/807655428.db2.gz PCVBJSHXJSIONT-PMACEKPBSA-N 2 1 294.442 3.393 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258844242 807655431 /nfs/dbraw/zinc/65/54/31/807655431.db2.gz PCVBJSHXJSIONT-PMACEKPBSA-N 2 1 294.442 3.393 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258851094 807659108 /nfs/dbraw/zinc/65/91/08/807659108.db2.gz NXYLCHMBEFSBNE-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258851094 807659113 /nfs/dbraw/zinc/65/91/13/807659113.db2.gz NXYLCHMBEFSBNE-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258851094 807659116 /nfs/dbraw/zinc/65/91/16/807659116.db2.gz NXYLCHMBEFSBNE-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001258908030 807672518 /nfs/dbraw/zinc/67/25/18/807672518.db2.gz QGZMCRNTVTUZPG-SOUVJXGZSA-N 2 1 276.415 3.269 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C1CC(F)(F)C1 ZINC001258907605 807672848 /nfs/dbraw/zinc/67/28/48/807672848.db2.gz LEHKGGQADQQESB-LBPRGKRZSA-N 2 1 262.388 3.226 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001170088171 807751486 /nfs/dbraw/zinc/75/14/86/807751486.db2.gz OTJXCLBSPCZHAD-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001170088171 807751489 /nfs/dbraw/zinc/75/14/89/807751489.db2.gz OTJXCLBSPCZHAD-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001170088171 807751495 /nfs/dbraw/zinc/75/14/95/807751495.db2.gz OTJXCLBSPCZHAD-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001170116686 807762414 /nfs/dbraw/zinc/76/24/14/807762414.db2.gz FUALETXCQDKPGQ-XIRDDKMYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001170116686 807762420 /nfs/dbraw/zinc/76/24/20/807762420.db2.gz FUALETXCQDKPGQ-XIRDDKMYSA-N 2 1 264.457 3.419 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2c1 ZINC001261890630 807798997 /nfs/dbraw/zinc/79/89/97/807798997.db2.gz KBPANAKVRNSRBP-UHFFFAOYSA-N 2 1 295.430 3.200 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170250376 807804693 /nfs/dbraw/zinc/80/46/93/807804693.db2.gz LLKQTSSMBQJROY-LBPRGKRZSA-N 2 1 277.799 3.066 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001170288166 807815009 /nfs/dbraw/zinc/81/50/09/807815009.db2.gz LZRWGHPEZGIGCJ-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001170288166 807815015 /nfs/dbraw/zinc/81/50/15/807815015.db2.gz LZRWGHPEZGIGCJ-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001170288166 807815024 /nfs/dbraw/zinc/81/50/24/807815024.db2.gz LZRWGHPEZGIGCJ-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001170288166 807815032 /nfs/dbraw/zinc/81/50/32/807815032.db2.gz LZRWGHPEZGIGCJ-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP CSCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001262371732 807860545 /nfs/dbraw/zinc/86/05/45/807860545.db2.gz VIIUKSDXQNFHBI-QGZVFWFLSA-N 2 1 290.476 3.077 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170913145 807931038 /nfs/dbraw/zinc/93/10/38/807931038.db2.gz DSTMUAILORWABL-AWEZNQCLSA-N 2 1 280.843 3.081 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171393561 808044023 /nfs/dbraw/zinc/04/40/23/808044023.db2.gz DTMWRZZQQIWLNC-MRXNPFEDSA-N 2 1 292.442 3.395 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171393561 808044032 /nfs/dbraw/zinc/04/40/32/808044032.db2.gz DTMWRZZQQIWLNC-MRXNPFEDSA-N 2 1 292.442 3.395 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+](C)CC1CC[NH+](C)CC1)C2 ZINC001171570261 808099234 /nfs/dbraw/zinc/09/92/34/808099234.db2.gz IDSJIFLAHSJRCL-SFHVURJKSA-N 2 1 286.463 3.126 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+](C)CCC[NH+]1CCCC1)C2 ZINC001171570205 808099306 /nfs/dbraw/zinc/09/93/06/808099306.db2.gz HPSYFGOAACFDQT-GOSISDBHSA-N 2 1 286.463 3.270 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579886 808104176 /nfs/dbraw/zinc/10/41/76/808104176.db2.gz SBVKAIBKNNXGDO-OTWHNJEPSA-N 2 1 298.474 3.126 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579886 808104183 /nfs/dbraw/zinc/10/41/83/808104183.db2.gz SBVKAIBKNNXGDO-OTWHNJEPSA-N 2 1 298.474 3.126 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579886 808104185 /nfs/dbraw/zinc/10/41/85/808104185.db2.gz SBVKAIBKNNXGDO-OTWHNJEPSA-N 2 1 298.474 3.126 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3cccnc32)CC1(C)C ZINC001171623308 808106284 /nfs/dbraw/zinc/10/62/84/808106284.db2.gz SNDRCPKCHMIGPM-OAHLLOKOSA-N 2 1 287.451 3.310 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCOC(C)(C)C2)CC1(C)C ZINC001171639528 808111785 /nfs/dbraw/zinc/11/17/85/808111785.db2.gz NRMPNAMLFDCTBH-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001171681664 808123612 /nfs/dbraw/zinc/12/36/12/808123612.db2.gz KYPYWEOCQVRDLZ-QGZVFWFLSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102419 808174210 /nfs/dbraw/zinc/17/42/10/808174210.db2.gz MSBCXMGMYWHSPB-JONQDZQNSA-N 2 1 273.424 3.056 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3ncccc31)C2 ZINC001172104253 808174299 /nfs/dbraw/zinc/17/42/99/808174299.db2.gz BHRLXHNHFLAUQI-KRXQYRFLSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3ncccc31)C2 ZINC001172104253 808174302 /nfs/dbraw/zinc/17/43/02/808174302.db2.gz BHRLXHNHFLAUQI-KRXQYRFLSA-N 2 1 285.435 3.064 20 0 CGADMP C=Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172105725 808175613 /nfs/dbraw/zinc/17/56/13/808175613.db2.gz JUXZSSFNZQIWGX-BCDXTJNWSA-N 2 1 270.420 3.435 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001172105749 808175781 /nfs/dbraw/zinc/17/57/81/808175781.db2.gz KCMKKJULHJRAAZ-KYHPRHEASA-N 2 1 287.451 3.384 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172107024 808176193 /nfs/dbraw/zinc/17/61/93/808176193.db2.gz SINUXNKMGOWLML-WCXIOVBPSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172107024 808176194 /nfs/dbraw/zinc/17/61/94/808176194.db2.gz SINUXNKMGOWLML-WCXIOVBPSA-N 2 1 273.424 3.138 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001172105747 808176914 /nfs/dbraw/zinc/17/69/14/808176914.db2.gz KCMKKJULHJRAAZ-CUSZFKRNSA-N 2 1 287.451 3.384 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC001172110921 808178302 /nfs/dbraw/zinc/17/83/02/808178302.db2.gz MABRGCRCRFOEQG-OSYLJGHBSA-N 2 1 299.462 3.027 20 0 CGADMP Cc1cc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)no1 ZINC001172114660 808180476 /nfs/dbraw/zinc/18/04/76/808180476.db2.gz RXCLJDANVKWGGD-IVSAIRAKSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC001172114660 808180479 /nfs/dbraw/zinc/18/04/79/808180479.db2.gz RXCLJDANVKWGGD-IVSAIRAKSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001172114660 808180483 /nfs/dbraw/zinc/18/04/83/808180483.db2.gz RXCLJDANVKWGGD-IVSAIRAKSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001172114660 808180490 /nfs/dbraw/zinc/18/04/90/808180490.db2.gz RXCLJDANVKWGGD-IVSAIRAKSA-N 2 1 289.423 3.135 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1c(F)cccc1F)C2 ZINC001172113050 808181225 /nfs/dbraw/zinc/18/12/25/808181225.db2.gz FPWYNYAFMLTHKI-ZSOGYDGISA-N 2 1 294.389 3.112 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3ccncc31)C2 ZINC001172113558 808181288 /nfs/dbraw/zinc/18/12/88/808181288.db2.gz KHPJTYTXYMHUNO-KYHPRHEASA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3ccncc31)C2 ZINC001172113558 808181290 /nfs/dbraw/zinc/18/12/90/808181290.db2.gz KHPJTYTXYMHUNO-KYHPRHEASA-N 2 1 285.435 3.064 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001172122229 808183445 /nfs/dbraw/zinc/18/34/45/808183445.db2.gz YABRPLXTACHNBQ-ZOBORPQBSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001172122229 808183449 /nfs/dbraw/zinc/18/34/49/808183449.db2.gz YABRPLXTACHNBQ-ZOBORPQBSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001172122229 808183452 /nfs/dbraw/zinc/18/34/52/808183452.db2.gz YABRPLXTACHNBQ-ZOBORPQBSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001172122229 808183456 /nfs/dbraw/zinc/18/34/56/808183456.db2.gz YABRPLXTACHNBQ-ZOBORPQBSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120222 808183732 /nfs/dbraw/zinc/18/37/32/808183732.db2.gz AWAAHRFUPRMHIQ-ZSHCYNCHSA-N 2 1 294.389 3.412 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120222 808183733 /nfs/dbraw/zinc/18/37/33/808183733.db2.gz AWAAHRFUPRMHIQ-ZSHCYNCHSA-N 2 1 294.389 3.412 20 0 CGADMP C[NH+](Cc1ccc(F)cc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120222 808183735 /nfs/dbraw/zinc/18/37/35/808183735.db2.gz AWAAHRFUPRMHIQ-ZSHCYNCHSA-N 2 1 294.389 3.412 20 0 CGADMP C[NH+](Cc1ccc(F)cc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120222 808183737 /nfs/dbraw/zinc/18/37/37/808183737.db2.gz AWAAHRFUPRMHIQ-ZSHCYNCHSA-N 2 1 294.389 3.412 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccccn1)C2 ZINC001172120123 808183962 /nfs/dbraw/zinc/18/39/62/808183962.db2.gz CTOFGELYAGWYNG-DFGXFYAUSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1ccccn1)C2 ZINC001172120123 808183969 /nfs/dbraw/zinc/18/39/69/808183969.db2.gz CTOFGELYAGWYNG-DFGXFYAUSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1ccccn1)C2 ZINC001172120123 808183973 /nfs/dbraw/zinc/18/39/73/808183973.db2.gz CTOFGELYAGWYNG-DFGXFYAUSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1Cc3cccc(F)c3C1)C2 ZINC001172124559 808185037 /nfs/dbraw/zinc/18/50/37/808185037.db2.gz LLMBHBIUPZUKHN-QDMKHBRRSA-N 2 1 274.383 3.157 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cccc(F)c3C1)C2 ZINC001172124559 808185041 /nfs/dbraw/zinc/18/50/41/808185041.db2.gz LLMBHBIUPZUKHN-QDMKHBRRSA-N 2 1 274.383 3.157 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cccc(F)c3C1)C2 ZINC001172124559 808185047 /nfs/dbraw/zinc/18/50/47/808185047.db2.gz LLMBHBIUPZUKHN-QDMKHBRRSA-N 2 1 274.383 3.157 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3cccc(F)c3C1)C2 ZINC001172124559 808185051 /nfs/dbraw/zinc/18/50/51/808185051.db2.gz LLMBHBIUPZUKHN-QDMKHBRRSA-N 2 1 274.383 3.157 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]1c1ccccc1)C2 ZINC001172127204 808185503 /nfs/dbraw/zinc/18/55/03/808185503.db2.gz HKQPHVDTWLWEEY-MLHJIOFPSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]1c1ccccc1)C2 ZINC001172127204 808185507 /nfs/dbraw/zinc/18/55/07/808185507.db2.gz HKQPHVDTWLWEEY-MLHJIOFPSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]1c1ccccc1)C2 ZINC001172127204 808185509 /nfs/dbraw/zinc/18/55/09/808185509.db2.gz HKQPHVDTWLWEEY-MLHJIOFPSA-N 2 1 270.420 3.449 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3ccc(F)cc3C1)C2 ZINC001172126824 808186314 /nfs/dbraw/zinc/18/63/14/808186314.db2.gz YKRSRBIVMXHLOE-PIIMJCKOSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3ccc(F)cc3C1)C2 ZINC001172126824 808186321 /nfs/dbraw/zinc/18/63/21/808186321.db2.gz YKRSRBIVMXHLOE-PIIMJCKOSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3ccc(F)cc3C1)C2 ZINC001172126824 808186327 /nfs/dbraw/zinc/18/63/27/808186327.db2.gz YKRSRBIVMXHLOE-PIIMJCKOSA-N 2 1 288.410 3.199 20 0 CGADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172538789 808370556 /nfs/dbraw/zinc/37/05/56/808370556.db2.gz SXJULDPDHJGWKL-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172825839 808446868 /nfs/dbraw/zinc/44/68/68/808446868.db2.gz KCPVOHBKXCCECZ-AKHDSKFASA-N 2 1 284.447 3.067 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839827 808454627 /nfs/dbraw/zinc/45/46/27/808454627.db2.gz VHBFIQBDLFKVRY-ZCNNSNEGSA-N 2 1 298.474 3.126 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839827 808454631 /nfs/dbraw/zinc/45/46/31/808454631.db2.gz VHBFIQBDLFKVRY-ZCNNSNEGSA-N 2 1 298.474 3.126 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839827 808454636 /nfs/dbraw/zinc/45/46/36/808454636.db2.gz VHBFIQBDLFKVRY-ZCNNSNEGSA-N 2 1 298.474 3.126 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(CC)cc1 ZINC001173236611 808546268 /nfs/dbraw/zinc/54/62/68/808546268.db2.gz AYWPJXYRIRZZPK-HNNXBMFYSA-N 2 1 262.441 3.241 20 0 CGADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001173339381 808619599 /nfs/dbraw/zinc/61/95/99/808619599.db2.gz NZVMMHZSOCBQKT-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP C[NH+]1CCC([NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173685016 808663953 /nfs/dbraw/zinc/66/39/53/808663953.db2.gz ZQUKIBPWQMGCEN-UHFFFAOYSA-N 2 1 298.474 3.497 20 0 CGADMP CC(C)C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001275054601 808902310 /nfs/dbraw/zinc/90/23/10/808902310.db2.gz BBIIQTINNUXWER-UHFFFAOYSA-N 2 1 272.436 3.122 20 0 CGADMP CC[C@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275062129 808903088 /nfs/dbraw/zinc/90/30/88/808903088.db2.gz POZWQLFVCSQRJT-WMZOPIPTSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275062129 808903094 /nfs/dbraw/zinc/90/30/94/808903094.db2.gz POZWQLFVCSQRJT-WMZOPIPTSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@H](C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275062129 808903100 /nfs/dbraw/zinc/90/31/00/808903100.db2.gz POZWQLFVCSQRJT-WMZOPIPTSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275062129 808903103 /nfs/dbraw/zinc/90/31/03/808903103.db2.gz POZWQLFVCSQRJT-WMZOPIPTSA-N 2 1 289.467 3.349 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198732 808920918 /nfs/dbraw/zinc/92/09/18/808920918.db2.gz CSPBZYMYGLUCGI-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198732 808920924 /nfs/dbraw/zinc/92/09/24/808920924.db2.gz CSPBZYMYGLUCGI-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198732 808920931 /nfs/dbraw/zinc/92/09/31/808920931.db2.gz CSPBZYMYGLUCGI-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3occc3c1)C2 ZINC001275660354 808955728 /nfs/dbraw/zinc/95/57/28/808955728.db2.gz NPTIRZHRFRASLM-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3occc3c1)C2 ZINC001275660354 808955737 /nfs/dbraw/zinc/95/57/37/808955737.db2.gz NPTIRZHRFRASLM-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3occc3c1)C2 ZINC001275660354 808955739 /nfs/dbraw/zinc/95/57/39/808955739.db2.gz NPTIRZHRFRASLM-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001275841366 808971448 /nfs/dbraw/zinc/97/14/48/808971448.db2.gz QREZRKUWSHRXSU-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC001275865656 808972668 /nfs/dbraw/zinc/97/26/68/808972668.db2.gz BFSHABANVITMKA-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc2ccccc12 ZINC001276124865 808989330 /nfs/dbraw/zinc/98/93/30/808989330.db2.gz NABUGRSZONNGBA-GOOCMWNKSA-N 2 1 270.376 3.148 20 0 CGADMP Cc1c[nH+]ccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174393155 808993113 /nfs/dbraw/zinc/99/31/13/808993113.db2.gz SBVUWLPCJAEVBP-UHFFFAOYSA-N 2 1 279.387 3.014 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC001276232765 808994524 /nfs/dbraw/zinc/99/45/24/808994524.db2.gz OJCMXWGPFMXWMD-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC001276243193 808996106 /nfs/dbraw/zinc/99/61/06/808996106.db2.gz CLIFWMAQGDQWSG-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3ncccc13)CC2 ZINC001276287551 808999097 /nfs/dbraw/zinc/99/90/97/808999097.db2.gz YAUMMOTVQLGYRB-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)c1ccc(C)o1 ZINC001276471004 809010904 /nfs/dbraw/zinc/01/09/04/809010904.db2.gz WJLMAQXOKIWDJQ-WWTUQBGBSA-N 2 1 276.424 3.296 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1[nH]c2ccccc2c1C ZINC001276594424 809017899 /nfs/dbraw/zinc/01/78/99/809017899.db2.gz WBFDUEAAWXKMHV-GOOCMWNKSA-N 2 1 283.419 3.191 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1[nH]c2ccccc2c1C ZINC001276594424 809017905 /nfs/dbraw/zinc/01/79/05/809017905.db2.gz WBFDUEAAWXKMHV-GOOCMWNKSA-N 2 1 283.419 3.191 20 0 CGADMP Cc1csc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276776808 809031510 /nfs/dbraw/zinc/03/15/10/809031510.db2.gz BUMCMMAKKWIKST-MRXNPFEDSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276776808 809031517 /nfs/dbraw/zinc/03/15/17/809031517.db2.gz BUMCMMAKKWIKST-MRXNPFEDSA-N 2 1 278.465 3.364 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccsc3Cl)C[C@H]2CC1 ZINC001276845631 809037737 /nfs/dbraw/zinc/03/77/37/809037737.db2.gz DUNBVXORKUNAGZ-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccsc3Cl)C[C@H]2CC1 ZINC001276845631 809037745 /nfs/dbraw/zinc/03/77/45/809037745.db2.gz DUNBVXORKUNAGZ-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccsc3Cl)C[C@H]2CC1 ZINC001276845631 809037748 /nfs/dbraw/zinc/03/77/48/809037748.db2.gz DUNBVXORKUNAGZ-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP CCSCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277916578 809104875 /nfs/dbraw/zinc/10/48/75/809104875.db2.gz KWIMGUOHEPRFJM-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP FCCCC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001278205449 809119761 /nfs/dbraw/zinc/11/97/61/809119761.db2.gz MJOSCSJPNYEAHR-UHFFFAOYSA-N 2 1 268.420 3.077 20 0 CGADMP FCCCC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001278205449 809119766 /nfs/dbraw/zinc/11/97/66/809119766.db2.gz MJOSCSJPNYEAHR-UHFFFAOYSA-N 2 1 268.420 3.077 20 0 CGADMP COc1cc[nH+]c(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001176193598 809645403 /nfs/dbraw/zinc/64/54/03/809645403.db2.gz CNKAJAVOLSDZCT-UHFFFAOYSA-N 2 1 283.375 3.430 20 0 CGADMP CCC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC001177541772 809806944 /nfs/dbraw/zinc/80/69/44/809806944.db2.gz CCNWYXYLTYQIKC-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1 ZINC001179815165 809947127 /nfs/dbraw/zinc/94/71/27/809947127.db2.gz DZNYSYABVBVZKI-DJIMGWMZSA-N 2 1 290.476 3.228 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906265 809957115 /nfs/dbraw/zinc/95/71/15/809957115.db2.gz WHGSBDPGWINSIR-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906265 809957119 /nfs/dbraw/zinc/95/71/19/809957119.db2.gz WHGSBDPGWINSIR-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906265 809957127 /nfs/dbraw/zinc/95/71/27/809957127.db2.gz WHGSBDPGWINSIR-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP CCCCC[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001179925992 809958537 /nfs/dbraw/zinc/95/85/37/809958537.db2.gz VBQQGSIRTJOPOJ-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccccc1 ZINC001184336552 810193534 /nfs/dbraw/zinc/19/35/34/810193534.db2.gz ARRNHIURTZWEPG-JZXOWHBKSA-N 2 1 292.467 3.473 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001191743208 810735601 /nfs/dbraw/zinc/73/56/01/810735601.db2.gz RBGBHLVZKJGOOW-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001199267960 811568770 /nfs/dbraw/zinc/56/87/70/811568770.db2.gz UDPHJVLCWHXQFI-LVQVYYBASA-N 2 1 284.513 3.371 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001199267960 811568775 /nfs/dbraw/zinc/56/87/75/811568775.db2.gz UDPHJVLCWHXQFI-LVQVYYBASA-N 2 1 284.513 3.371 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001199335696 811572483 /nfs/dbraw/zinc/57/24/83/811572483.db2.gz AIFLGUQMNOIXTO-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001199924223 811612824 /nfs/dbraw/zinc/61/28/24/811612824.db2.gz DFCGJMGOJWIXDW-UONOGXRCSA-N 2 1 261.413 3.064 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001200439905 811690500 /nfs/dbraw/zinc/69/05/00/811690500.db2.gz XGXRAXZCPHFKAA-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001200439905 811690504 /nfs/dbraw/zinc/69/05/04/811690504.db2.gz XGXRAXZCPHFKAA-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC001201416979 811837426 /nfs/dbraw/zinc/83/74/26/811837426.db2.gz DHVOOVXPWYEMTF-MRXNPFEDSA-N 2 1 264.457 3.395 20 0 CGADMP Cc1[nH+]cn(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1N ZINC001201474394 811854668 /nfs/dbraw/zinc/85/46/68/811854668.db2.gz FMALOAUCSRJLRT-CVEARBPZSA-N 2 1 294.402 3.052 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201515480 811878474 /nfs/dbraw/zinc/87/84/74/811878474.db2.gz NJWGTHJBQICVAX-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201515480 811878479 /nfs/dbraw/zinc/87/84/79/811878479.db2.gz NJWGTHJBQICVAX-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201515480 811878483 /nfs/dbraw/zinc/87/84/83/811878483.db2.gz NJWGTHJBQICVAX-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCC2)CC3)co1 ZINC001202731713 812160726 /nfs/dbraw/zinc/16/07/26/812160726.db2.gz AQHYNODEHLZXKX-UHFFFAOYSA-N 2 1 288.435 3.368 20 0 CGADMP Cc1c(F)cccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001204512732 812660435 /nfs/dbraw/zinc/66/04/35/812660435.db2.gz LOWAMOSPOORNQB-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP Cc1c(F)cccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001204512732 812660439 /nfs/dbraw/zinc/66/04/39/812660439.db2.gz LOWAMOSPOORNQB-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC001204591569 812682282 /nfs/dbraw/zinc/68/22/82/812682282.db2.gz GSJNSNBONAHGQN-GVDBMIGSSA-N 2 1 266.473 3.476 20 0 CGADMP Clc1cccc(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204727983 812718761 /nfs/dbraw/zinc/71/87/61/812718761.db2.gz ZJIZMSOLONJQMB-UHFFFAOYSA-N 2 1 292.854 3.348 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727954 812718830 /nfs/dbraw/zinc/71/88/30/812718830.db2.gz YCZUWSBOHSNBIO-UHFFFAOYSA-N 2 1 290.426 3.224 20 0 CGADMP Fc1ccc(Cl)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735586 812720828 /nfs/dbraw/zinc/72/08/28/812720828.db2.gz YUPRZVVOYZUQGA-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCCC3(CCCCC3)C2)CC1 ZINC001204924434 812776272 /nfs/dbraw/zinc/77/62/72/812776272.db2.gz UKABMICCDYORIQ-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](CCCCCOCc2ccccc2)C1 ZINC001204940661 812789428 /nfs/dbraw/zinc/78/94/28/812789428.db2.gz ZPYBATWWFLHZHV-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001204940661 812789434 /nfs/dbraw/zinc/78/94/34/812789434.db2.gz ZPYBATWWFLHZHV-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001205008825 812822810 /nfs/dbraw/zinc/82/28/10/812822810.db2.gz DGMGQYJLKRHTMN-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001205008825 812822819 /nfs/dbraw/zinc/82/28/19/812822819.db2.gz DGMGQYJLKRHTMN-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2C)C1 ZINC001205018060 812828210 /nfs/dbraw/zinc/82/82/10/812828210.db2.gz RBYMCOYVRZHADB-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2C)C1 ZINC001205018060 812828218 /nfs/dbraw/zinc/82/82/18/812828218.db2.gz RBYMCOYVRZHADB-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001205088355 812855944 /nfs/dbraw/zinc/85/59/44/812855944.db2.gz OLWXLIPNGZFROB-IMJJTQAJSA-N 2 1 278.827 3.257 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@@H]([NH3+])CC3)c[nH]c21 ZINC001205101450 812865317 /nfs/dbraw/zinc/86/53/17/812865317.db2.gz FJWJFHKEADZOLG-OAHLLOKOSA-N 2 1 271.408 3.044 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(F)c3ccccc23)CC1 ZINC001205101504 812865467 /nfs/dbraw/zinc/86/54/67/812865467.db2.gz HJHMPLRRJGKBLU-CQSZACIVSA-N 2 1 272.367 3.292 20 0 CGADMP CN(C)c1ccc2cc(C[N@H+]3CCC[C@@H]([NH3+])CC3)ccc2c1 ZINC001205110552 812870457 /nfs/dbraw/zinc/87/04/57/812870457.db2.gz VUMKZJQXXDCKMX-GOSISDBHSA-N 2 1 297.446 3.219 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205110263 812871187 /nfs/dbraw/zinc/87/11/87/812871187.db2.gz QJHARRSDKLYRPT-KRWDZBQOSA-N 2 1 281.403 3.062 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC001205257422 812918515 /nfs/dbraw/zinc/91/85/15/812918515.db2.gz VIUJETIPHNXFEA-INIZCTEOSA-N 2 1 280.843 3.476 20 0 CGADMP C[C@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@@H]1C[NH3+] ZINC001205295543 812935375 /nfs/dbraw/zinc/93/53/75/812935375.db2.gz ABERXPFSGWVHSB-WMZOPIPTSA-N 2 1 274.452 3.316 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205296826 812937952 /nfs/dbraw/zinc/93/79/52/812937952.db2.gz ULPMXWSYRVXXCY-KSLSASGISA-N 2 1 252.446 3.430 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2ccccc2Cl)C[C@H]1C[NH3+] ZINC001205297046 812938241 /nfs/dbraw/zinc/93/82/41/812938241.db2.gz XWNLLGLTPOIUGQ-DZGCQCFKSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC001205303271 812940871 /nfs/dbraw/zinc/94/08/71/812940871.db2.gz BTUNNJLUWKXUNJ-KXBFYZLASA-N 2 1 295.430 3.165 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC001205303362 812941036 /nfs/dbraw/zinc/94/10/36/812941036.db2.gz CWUKOFBNJIQWED-QWHCGFSZSA-N 2 1 266.454 3.117 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205304316 812942519 /nfs/dbraw/zinc/94/25/19/812942519.db2.gz NSOLHRHVJWFZSR-CRAIPNDOSA-N 2 1 274.452 3.446 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205306571 812943773 /nfs/dbraw/zinc/94/37/73/812943773.db2.gz XUFDSGKOHOTZBG-HOCLYGCPSA-N 2 1 260.425 3.227 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)c1C ZINC001205305010 812944310 /nfs/dbraw/zinc/94/43/10/812944310.db2.gz QMWBQQJKSDFAQB-LRDDRELGSA-N 2 1 290.451 3.037 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205316503 812948783 /nfs/dbraw/zinc/94/87/83/812948783.db2.gz KEUHGYMUEXXJDF-UKRRQHHQSA-N 2 1 294.414 3.030 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205316503 812948785 /nfs/dbraw/zinc/94/87/85/812948785.db2.gz KEUHGYMUEXXJDF-UKRRQHHQSA-N 2 1 294.414 3.030 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3cccccc2-3)C[C@@H]1C[NH3+] ZINC001205317393 812950151 /nfs/dbraw/zinc/95/01/51/812950151.db2.gz ORCGZDQROIGQQR-YOEHRIQHSA-N 2 1 268.404 3.208 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205318828 812952605 /nfs/dbraw/zinc/95/26/05/812952605.db2.gz WWAYNIRCAAPYNI-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205318828 812952609 /nfs/dbraw/zinc/95/26/09/812952609.db2.gz WWAYNIRCAAPYNI-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205340160 812963055 /nfs/dbraw/zinc/96/30/55/812963055.db2.gz PIKLUKICBXMFCI-INIZCTEOSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205340160 812963059 /nfs/dbraw/zinc/96/30/59/812963059.db2.gz PIKLUKICBXMFCI-INIZCTEOSA-N 2 1 290.451 3.274 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205539322 812996703 /nfs/dbraw/zinc/99/67/03/812996703.db2.gz WQRWLWCNINSPAE-CABCVRRESA-N 2 1 258.425 3.356 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205603024 813019907 /nfs/dbraw/zinc/01/99/07/813019907.db2.gz MWSKJJISNDGETB-RDJZCZTQSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618286 813028732 /nfs/dbraw/zinc/02/87/32/813028732.db2.gz UGCICMGNKIKXRI-GXTWGEPZSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)CC[C@H]1C[NH3+] ZINC001205626863 813032944 /nfs/dbraw/zinc/03/29/44/813032944.db2.gz JXVRXEPLHCKTQB-HOCLYGCPSA-N 2 1 272.436 3.371 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(F)c1F ZINC001205625205 813032976 /nfs/dbraw/zinc/03/29/76/813032976.db2.gz ACCGZIGSPFVUSK-FZMZJTMJSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205627191 813033059 /nfs/dbraw/zinc/03/30/59/813033059.db2.gz NSRSBCUDASHLCZ-WCQYABFASA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2coc3ccc(F)cc23)CC[C@H]1C[NH3+] ZINC001205627400 813033106 /nfs/dbraw/zinc/03/31/06/813033106.db2.gz PGNMTAMWLLGDQM-STQMWFEESA-N 2 1 290.382 3.379 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC001205639152 813037328 /nfs/dbraw/zinc/03/73/28/813037328.db2.gz WNMRNQPRIOHENN-GDBMZVCRSA-N 2 1 299.418 3.148 20 0 CGADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1F ZINC001205639467 813037811 /nfs/dbraw/zinc/03/78/11/813037811.db2.gz ZFTPAJQOHQWENG-HIFRSBDPSA-N 2 1 294.414 3.031 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205651813 813041673 /nfs/dbraw/zinc/04/16/73/813041673.db2.gz KBTYSRNILIKAFH-CVEARBPZSA-N 2 1 290.451 3.201 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205663322 813046447 /nfs/dbraw/zinc/04/64/47/813046447.db2.gz HKZWFHBKKPAMKQ-CWIOURORSA-N 2 1 282.472 3.079 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc3ccccc32)C1 ZINC001205803120 813083116 /nfs/dbraw/zinc/08/31/16/813083116.db2.gz FHJZEVVHCJUJQJ-YOEHRIQHSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc3ccccc32)C1 ZINC001205803120 813083124 /nfs/dbraw/zinc/08/31/24/813083124.db2.gz FHJZEVVHCJUJQJ-YOEHRIQHSA-N 2 1 268.404 3.399 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c[nH]c2c1 ZINC001205818952 813096904 /nfs/dbraw/zinc/09/69/04/813096904.db2.gz VJWCDNCOWQXORO-UKRRQHHQSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c[nH]c2c1 ZINC001205818952 813096913 /nfs/dbraw/zinc/09/69/13/813096913.db2.gz VJWCDNCOWQXORO-UKRRQHHQSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205841432 813104297 /nfs/dbraw/zinc/10/42/97/813104297.db2.gz JYUDQQXESYGIGF-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205841432 813104300 /nfs/dbraw/zinc/10/43/00/813104300.db2.gz JYUDQQXESYGIGF-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001205901724 813123329 /nfs/dbraw/zinc/12/33/29/813123329.db2.gz FSAXXNJOPQNMNN-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205901760 813124607 /nfs/dbraw/zinc/12/46/07/813124607.db2.gz GAZRHDWGWMUIPS-NVXWUHKLSA-N 2 1 290.451 3.281 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CC1 ZINC001205902804 813124922 /nfs/dbraw/zinc/12/49/22/813124922.db2.gz LURBVIZIIAUKPP-JONQDZQNSA-N 2 1 250.430 3.038 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1C1CC1 ZINC001205903889 813126098 /nfs/dbraw/zinc/12/60/98/813126098.db2.gz RVSLSXMBIOQBHP-ZFWWWQNUSA-N 2 1 258.409 3.123 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1Cl ZINC001205912762 813129760 /nfs/dbraw/zinc/12/97/60/813129760.db2.gz CAXDCAAKVDJWAX-WFASDCNBSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1Cl ZINC001205912762 813129764 /nfs/dbraw/zinc/12/97/64/813129764.db2.gz CAXDCAAKVDJWAX-WFASDCNBSA-N 2 1 280.843 3.462 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)n1 ZINC001205915812 813131302 /nfs/dbraw/zinc/13/13/02/813131302.db2.gz QQSCRDQEHXKBAH-NVXWUHKLSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923035 813135447 /nfs/dbraw/zinc/13/54/47/813135447.db2.gz GYDFSWVJZRQTHX-HOTGVXAUSA-N 2 1 290.451 3.341 20 0 CGADMP C[C@@H]1C[N@@H+](CC2(C)CCCCC2)CCC[C@H]1C[NH3+] ZINC001205981704 813151227 /nfs/dbraw/zinc/15/12/27/813151227.db2.gz FTYKLOFHIGVREL-CABCVRRESA-N 2 1 252.446 3.264 20 0 CGADMP C[C@H]1C[N@@H+](CCc2ccc(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205985650 813152630 /nfs/dbraw/zinc/15/26/30/813152630.db2.gz ZDTYXROZOSQFQD-JSGCOSHPSA-N 2 1 298.833 3.328 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205991999 813154701 /nfs/dbraw/zinc/15/47/01/813154701.db2.gz CTQPQLUSZLMVEQ-GXTWGEPZSA-N 2 1 266.816 3.147 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC001205994111 813155874 /nfs/dbraw/zinc/15/58/74/813155874.db2.gz JHVWAHJXNNORJQ-HZPDHXFCSA-N 2 1 290.451 3.201 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC001205996180 813156624 /nfs/dbraw/zinc/15/66/24/813156624.db2.gz VTRHHVJXNOPTSE-NVXWUHKLSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC001205994378 813156995 /nfs/dbraw/zinc/15/69/95/813156995.db2.gz LEFAREHYUHZEFD-HOCLYGCPSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001205996345 813158274 /nfs/dbraw/zinc/15/82/74/813158274.db2.gz WHRWMKBWGLVVNB-QWHCGFSZSA-N 2 1 282.378 3.080 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205996583 813158519 /nfs/dbraw/zinc/15/85/19/813158519.db2.gz XMKYMFBETQENJG-PBHICJAKSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CCC[C@@H]1C[NH3+] ZINC001206005528 813162384 /nfs/dbraw/zinc/16/23/84/813162384.db2.gz YKQZSLUVHLFQBL-CZUORRHYSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206014009 813166321 /nfs/dbraw/zinc/16/63/21/813166321.db2.gz UZVPJGRTDVNHGL-CMPLNLGQSA-N 2 1 272.845 3.208 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)sc1C ZINC001206025400 813170444 /nfs/dbraw/zinc/17/04/44/813170444.db2.gz NVOSKDUJPSZSPI-TZMCWYRMSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc3cc[nH]c32)CCC[C@@H]1C[NH3+] ZINC001206035080 813175406 /nfs/dbraw/zinc/17/54/06/813175406.db2.gz BSFXOYRPVVGZIM-GXTWGEPZSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)c[nH]2)CCC[C@@H]1C[NH3+] ZINC001206035055 813175881 /nfs/dbraw/zinc/17/58/81/813175881.db2.gz BKCKHJRQMYIHAK-UONOGXRCSA-N 2 1 277.456 3.119 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206036841 813176444 /nfs/dbraw/zinc/17/64/44/813176444.db2.gz RMRNZICAGPWUTD-RHSMWYFYSA-N 2 1 260.425 3.022 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206036841 813176450 /nfs/dbraw/zinc/17/64/50/813176450.db2.gz RMRNZICAGPWUTD-RHSMWYFYSA-N 2 1 260.425 3.022 20 0 CGADMP CC1(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]CC1 ZINC001206049396 813181450 /nfs/dbraw/zinc/18/14/50/813181450.db2.gz LWRMIJBYJSLOJJ-INIZCTEOSA-N 2 1 276.399 3.352 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156267 813216279 /nfs/dbraw/zinc/21/62/79/813216279.db2.gz PQHWSNZMTWTHEX-KKUMJFAQSA-N 2 1 256.409 3.130 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156267 813216282 /nfs/dbraw/zinc/21/62/82/813216282.db2.gz PQHWSNZMTWTHEX-KKUMJFAQSA-N 2 1 256.409 3.130 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163749 813221012 /nfs/dbraw/zinc/22/10/12/813221012.db2.gz FGOCMOBQRQADNX-HOTGVXAUSA-N 2 1 264.388 3.071 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cccccc2-3)CC[C@@H]1F ZINC001206201890 813237682 /nfs/dbraw/zinc/23/76/82/813237682.db2.gz ZQYNUSSNDUGMJG-DLBZAZTESA-N 2 1 272.367 3.053 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccccc2-3)CC[C@@H]1F ZINC001206201890 813237687 /nfs/dbraw/zinc/23/76/87/813237687.db2.gz ZQYNUSSNDUGMJG-DLBZAZTESA-N 2 1 272.367 3.053 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269544 813266414 /nfs/dbraw/zinc/26/64/14/813266414.db2.gz QJVSPVGNIBLVRL-LBPRGKRZSA-N 2 1 274.433 3.251 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269544 813266418 /nfs/dbraw/zinc/26/64/18/813266418.db2.gz QJVSPVGNIBLVRL-LBPRGKRZSA-N 2 1 274.433 3.251 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1C ZINC001206305172 813281293 /nfs/dbraw/zinc/28/12/93/813281293.db2.gz VDPHBYCDKFMEET-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206304865 813281542 /nfs/dbraw/zinc/28/15/42/813281542.db2.gz PXFHWPHXUKUEGC-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)[nH]1 ZINC001206304510 813281836 /nfs/dbraw/zinc/28/18/36/813281836.db2.gz LURLCEICUXHZDG-KRWDZBQOSA-N 2 1 277.456 3.263 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318697 813287823 /nfs/dbraw/zinc/28/78/23/813287823.db2.gz STUHXSOURFUCGV-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCCc2ccccc2)C1 ZINC001206542283 813343785 /nfs/dbraw/zinc/34/37/85/813343785.db2.gz XDJSUOYZRHHJAT-GOSISDBHSA-N 2 1 274.452 3.460 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC001206541185 813345404 /nfs/dbraw/zinc/34/54/04/813345404.db2.gz FQLYCWGACXTBFS-MRXNPFEDSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC001206541185 813345410 /nfs/dbraw/zinc/34/54/10/813345410.db2.gz FQLYCWGACXTBFS-MRXNPFEDSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001206546987 813346420 /nfs/dbraw/zinc/34/64/20/813346420.db2.gz AJZQOMQFULZFHY-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206550284 813349584 /nfs/dbraw/zinc/34/95/84/813349584.db2.gz ZGWVKPGONRNFGE-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206550284 813349588 /nfs/dbraw/zinc/34/95/88/813349588.db2.gz ZGWVKPGONRNFGE-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP CCOc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206550029 813349988 /nfs/dbraw/zinc/34/99/88/813349988.db2.gz TZMVONMPYQFQML-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001206563264 813354988 /nfs/dbraw/zinc/35/49/88/813354988.db2.gz AQUNVIJHEUFZAQ-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP COc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc1C ZINC001206588515 813365696 /nfs/dbraw/zinc/36/56/96/813365696.db2.gz AETXFHVSEDYNCC-KRWDZBQOSA-N 2 1 290.451 3.356 20 0 CGADMP COc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC001206589935 813366170 /nfs/dbraw/zinc/36/61/70/813366170.db2.gz IXWIWPOEVUVRRC-KRWDZBQOSA-N 2 1 290.451 3.356 20 0 CGADMP COc1c(C)cccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206597321 813368732 /nfs/dbraw/zinc/36/87/32/813368732.db2.gz ACPWEPOCDJSWRP-KRWDZBQOSA-N 2 1 290.451 3.356 20 0 CGADMP COc1cccc(C)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599749 813370530 /nfs/dbraw/zinc/37/05/30/813370530.db2.gz XBKYZSROWHXIDR-MRXNPFEDSA-N 2 1 290.451 3.356 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001206641234 813383092 /nfs/dbraw/zinc/38/30/92/813383092.db2.gz USVLMWZVLSWVNL-LBPRGKRZSA-N 2 1 276.355 3.133 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206649568 813387280 /nfs/dbraw/zinc/38/72/80/813387280.db2.gz WCEHJWCXUPJRBU-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206649568 813387288 /nfs/dbraw/zinc/38/72/88/813387288.db2.gz WCEHJWCXUPJRBU-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cccc2n1 ZINC001206649275 813387727 /nfs/dbraw/zinc/38/77/27/813387727.db2.gz SHWNOYXGADRILR-HNNXBMFYSA-N 2 1 283.419 3.104 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)cc21 ZINC001206768552 813429989 /nfs/dbraw/zinc/42/99/89/813429989.db2.gz KJBWQZALAFRLAT-ZBFHGGJFSA-N 2 1 285.435 3.220 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC001206771034 813432579 /nfs/dbraw/zinc/43/25/79/813432579.db2.gz VTARVSHIAUQQDK-QWHCGFSZSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1ncsc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001206990648 813462181 /nfs/dbraw/zinc/46/21/81/813462181.db2.gz ZXEDDFDWWOVMGB-OAHLLOKOSA-N 2 1 293.480 3.292 20 0 CGADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001206990648 813462185 /nfs/dbraw/zinc/46/21/85/813462185.db2.gz ZXEDDFDWWOVMGB-OAHLLOKOSA-N 2 1 293.480 3.292 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1c1cccs1 ZINC001207287149 813535509 /nfs/dbraw/zinc/53/55/09/813535509.db2.gz YGEKZEHCQJNCBA-ZDUSSCGKSA-N 2 1 266.454 3.473 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286792 813536865 /nfs/dbraw/zinc/53/68/65/813536865.db2.gz MLDPMEXEKLHPTE-MRXNPFEDSA-N 2 1 272.436 3.240 20 0 CGADMP C[N@@H+](C[C@H]1CCCOC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207470380 813571310 /nfs/dbraw/zinc/57/13/10/813571310.db2.gz UTEAGEUORRLFSK-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001207486540 813572592 /nfs/dbraw/zinc/57/25/92/813572592.db2.gz JXIIYXYUWQOFGC-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207487160 813575290 /nfs/dbraw/zinc/57/52/90/813575290.db2.gz IHRPKZMLBYPKDV-OAHLLOKOSA-N 2 1 272.436 3.165 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@H](C)CCCC(C)(C)O ZINC001207682303 813634795 /nfs/dbraw/zinc/63/47/95/813634795.db2.gz ARKNCTIMGOURCB-MRXNPFEDSA-N 2 1 286.504 3.227 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001208109269 813694381 /nfs/dbraw/zinc/69/43/81/813694381.db2.gz MMOLOFDRFVYZBJ-MRXNPFEDSA-N 2 1 290.426 3.347 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001208107829 813694743 /nfs/dbraw/zinc/69/47/43/813694743.db2.gz KXOUQXJKAGBBKF-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001208110088 813695095 /nfs/dbraw/zinc/69/50/95/813695095.db2.gz WQGWKOROJQYZGD-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP C[NH+](C)CC1(C[N@@H+]2CCc3ccsc3C2)CCCC1 ZINC001208191008 813737678 /nfs/dbraw/zinc/73/76/78/813737678.db2.gz JNGVVFLNSZRTJM-UHFFFAOYSA-N 2 1 278.465 3.228 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCc3ccsc3C2)CCCC1 ZINC001208191008 813737684 /nfs/dbraw/zinc/73/76/84/813737684.db2.gz JNGVVFLNSZRTJM-UHFFFAOYSA-N 2 1 278.465 3.228 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2cccs2)C1 ZINC001208610176 813773917 /nfs/dbraw/zinc/77/39/17/813773917.db2.gz ZKVVOQIPYADBFU-KGLIPLIRSA-N 2 1 264.438 3.227 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2cccs2)C1 ZINC001208610176 813773919 /nfs/dbraw/zinc/77/39/19/813773919.db2.gz ZKVVOQIPYADBFU-KGLIPLIRSA-N 2 1 264.438 3.227 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC001208610176 813773925 /nfs/dbraw/zinc/77/39/25/813773925.db2.gz ZKVVOQIPYADBFU-KGLIPLIRSA-N 2 1 264.438 3.227 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccs2)C1 ZINC001208610176 813773934 /nfs/dbraw/zinc/77/39/34/813773934.db2.gz ZKVVOQIPYADBFU-KGLIPLIRSA-N 2 1 264.438 3.227 20 0 CGADMP CC/C=C\CC[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001208732584 813820311 /nfs/dbraw/zinc/82/03/11/813820311.db2.gz CPBJMUSBRJCDIQ-XVWMLYKFSA-N 2 1 260.381 3.199 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC001208940161 813904721 /nfs/dbraw/zinc/90/47/21/813904721.db2.gz ANXSWNPSTRSACS-SFHVURJKSA-N 2 1 284.447 3.385 20 0 CGADMP CSCC[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208944990 813906178 /nfs/dbraw/zinc/90/61/78/813906178.db2.gz QKFYVVGOOIRQBZ-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CSCC[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208944990 813906185 /nfs/dbraw/zinc/90/61/85/813906185.db2.gz QKFYVVGOOIRQBZ-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CSCC[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208944990 813906192 /nfs/dbraw/zinc/90/61/92/813906192.db2.gz QKFYVVGOOIRQBZ-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC001208942512 813907186 /nfs/dbraw/zinc/90/71/86/813907186.db2.gz JDYYYUNTIOBZFE-GBESFXJTSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC001208942512 813907192 /nfs/dbraw/zinc/90/71/92/813907192.db2.gz JDYYYUNTIOBZFE-GBESFXJTSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC001208942512 813907197 /nfs/dbraw/zinc/90/71/97/813907197.db2.gz JDYYYUNTIOBZFE-GBESFXJTSA-N 2 1 284.447 3.383 20 0 CGADMP F[C@@H]1CCCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208945285 813907773 /nfs/dbraw/zinc/90/77/73/813907773.db2.gz BTEGSDXMFNPEBY-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208945285 813907782 /nfs/dbraw/zinc/90/77/82/813907782.db2.gz BTEGSDXMFNPEBY-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208945285 813907794 /nfs/dbraw/zinc/90/77/94/813907794.db2.gz BTEGSDXMFNPEBY-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208945285 813907800 /nfs/dbraw/zinc/90/78/00/813907800.db2.gz BTEGSDXMFNPEBY-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC001208946298 813907834 /nfs/dbraw/zinc/90/78/34/813907834.db2.gz GEFKEHJBNKJPEZ-HNNXBMFYSA-N 2 1 294.389 3.238 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC001208946298 813907843 /nfs/dbraw/zinc/90/78/43/813907843.db2.gz GEFKEHJBNKJPEZ-HNNXBMFYSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC001208946298 813907853 /nfs/dbraw/zinc/90/78/53/813907853.db2.gz GEFKEHJBNKJPEZ-HNNXBMFYSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC001208946298 813907861 /nfs/dbraw/zinc/90/78/61/813907861.db2.gz GEFKEHJBNKJPEZ-HNNXBMFYSA-N 2 1 294.389 3.238 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(CCC4)C3)C2)cc1 ZINC001208952816 813911116 /nfs/dbraw/zinc/91/11/16/813911116.db2.gz MCPSSKOODSOTSP-GOSISDBHSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC4(CCC4)C3)C2)cc1 ZINC001208952816 813911123 /nfs/dbraw/zinc/91/11/23/813911123.db2.gz MCPSSKOODSOTSP-GOSISDBHSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCC4(CCC4)C3)C2)cc1 ZINC001208952816 813911125 /nfs/dbraw/zinc/91/11/25/813911125.db2.gz MCPSSKOODSOTSP-GOSISDBHSA-N 2 1 284.447 3.385 20 0 CGADMP C[NH+](C)CCC[N@H+](C)CCc1ccc(Cl)cc1Cl ZINC001209078355 813927763 /nfs/dbraw/zinc/92/77/63/813927763.db2.gz HYFHTKJWLPAGJS-UHFFFAOYSA-N 2 1 289.250 3.419 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCc1ccc(Cl)cc1Cl ZINC001209078355 813927767 /nfs/dbraw/zinc/92/77/67/813927767.db2.gz HYFHTKJWLPAGJS-UHFFFAOYSA-N 2 1 289.250 3.419 20 0 CGADMP CCOC(C)(C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209075984 813927954 /nfs/dbraw/zinc/92/79/54/813927954.db2.gz ADWQBQKZNWKWTK-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP CCOC(C)(C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209075984 813927962 /nfs/dbraw/zinc/92/79/62/813927962.db2.gz ADWQBQKZNWKWTK-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP CCOC(C)(C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001209075984 813927967 /nfs/dbraw/zinc/92/79/67/813927967.db2.gz ADWQBQKZNWKWTK-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP C[N@H+](CCCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209228750 813976399 /nfs/dbraw/zinc/97/63/99/813976399.db2.gz OQKQCFRGCPPPPI-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP C[N@@H+](CCCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209228750 813976404 /nfs/dbraw/zinc/97/64/04/813976404.db2.gz OQKQCFRGCPPPPI-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP COc1ccc(CC[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC001209450409 814048065 /nfs/dbraw/zinc/04/80/65/814048065.db2.gz IUHQIFQDWHYBGS-UHFFFAOYSA-N 2 1 290.451 3.046 20 0 CGADMP C(C[NH+]1CC2(C1)CCCCC2)C[NH+]1CCCCC1 ZINC001209449945 814048392 /nfs/dbraw/zinc/04/83/92/814048392.db2.gz CDDHLKHBAFVPRH-UHFFFAOYSA-N 2 1 250.430 3.129 20 0 CGADMP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)C1CC[NH+](C)CC1 ZINC001209653187 814106521 /nfs/dbraw/zinc/10/65/21/814106521.db2.gz NCPZEIXGNDBJNS-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)C1CC[NH+](C)CC1 ZINC001209653187 814106524 /nfs/dbraw/zinc/10/65/24/814106524.db2.gz NCPZEIXGNDBJNS-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP c1cn(-c2cc[nH+]c(C3=CC[C@@H]([NH+]4CCCC4)CC3)c2)cn1 ZINC001242691369 823101282 /nfs/dbraw/zinc/10/12/82/823101282.db2.gz OUANRPLUJRTMIC-MRXNPFEDSA-N 2 1 294.402 3.299 20 0 CGADMP c1[nH]c2ccc(Nc3c[nH+]ccc3N3CCCC3)cc2[nH+]1 ZINC001209847987 814165294 /nfs/dbraw/zinc/16/52/94/814165294.db2.gz JUSTWNFLCRTBRI-UHFFFAOYSA-N 2 1 279.347 3.302 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC001222149362 816361643 /nfs/dbraw/zinc/36/16/43/816361643.db2.gz XWFSPQFLQQIVGO-INIZCTEOSA-N 2 1 278.465 3.276 20 0 CGADMP S=C1C=COC1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173910 816369023 /nfs/dbraw/zinc/36/90/23/816369023.db2.gz ZFZXESKOFOXWMQ-MRXNPFEDSA-N 2 1 294.464 3.314 20 0 CGADMP Nc1ccccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173549 816369680 /nfs/dbraw/zinc/36/96/80/816369680.db2.gz UXCRETREXMRFFQ-GOSISDBHSA-N 2 1 287.451 3.015 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191008 816370658 /nfs/dbraw/zinc/37/06/58/816370658.db2.gz HQNNNGOOPYANSF-VEGHNBABSA-N 2 1 288.479 3.421 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191008 816370665 /nfs/dbraw/zinc/37/06/65/816370665.db2.gz HQNNNGOOPYANSF-VEGHNBABSA-N 2 1 288.479 3.421 20 0 CGADMP Oc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c2ccccc12 ZINC001222244054 816385072 /nfs/dbraw/zinc/38/50/72/816385072.db2.gz SKQYRHKECSIARX-LJQANCHMSA-N 2 1 296.414 3.263 20 0 CGADMP Oc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c2ccccc12 ZINC001222244054 816385080 /nfs/dbraw/zinc/38/50/80/816385080.db2.gz SKQYRHKECSIARX-LJQANCHMSA-N 2 1 296.414 3.263 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc(F)c1F ZINC001222320957 816408795 /nfs/dbraw/zinc/40/87/95/816408795.db2.gz PCQFCIFUEMCXEI-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344835 816413568 /nfs/dbraw/zinc/41/35/68/816413568.db2.gz DOWQPMMWMYKLBA-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP Fc1cccc(CCC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222384959 816425522 /nfs/dbraw/zinc/42/55/22/816425522.db2.gz CEVJOZKUWFYPHU-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222384959 816425525 /nfs/dbraw/zinc/42/55/25/816425525.db2.gz CEVJOZKUWFYPHU-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1C ZINC001222385426 816426304 /nfs/dbraw/zinc/42/63/04/816426304.db2.gz MSPDGRJSFSFESR-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1C ZINC001222385426 816426311 /nfs/dbraw/zinc/42/63/11/816426311.db2.gz MSPDGRJSFSFESR-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP C[C@@H](CC[N@H+]1CCOCC2(CC[NH2+]CC2)C1)CC(C)(C)C ZINC001222400679 816433883 /nfs/dbraw/zinc/43/38/83/816433883.db2.gz DBWZTFIRFBNHSG-INIZCTEOSA-N 2 1 296.499 3.151 20 0 CGADMP c1ccc([C@H]2C[N@H+](C[C@H]3CC=CCC3)CC23C[NH2+]C3)cc1 ZINC001222596455 816474491 /nfs/dbraw/zinc/47/44/91/816474491.db2.gz WDLUVIMBUJGGOZ-FUHWJXTLSA-N 2 1 282.431 3.032 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620375 816478826 /nfs/dbraw/zinc/47/88/26/816478826.db2.gz PHJCLQWFMCBNQR-GOEBONIOSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620375 816478827 /nfs/dbraw/zinc/47/88/27/816478827.db2.gz PHJCLQWFMCBNQR-GOEBONIOSA-N 2 1 288.435 3.048 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620627 816481152 /nfs/dbraw/zinc/48/11/52/816481152.db2.gz WMDVKXMDYIKWDT-SWLSCSKDSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620627 816481161 /nfs/dbraw/zinc/48/11/61/816481161.db2.gz WMDVKXMDYIKWDT-SWLSCSKDSA-N 2 1 298.352 3.198 20 0 CGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(F)cc1 ZINC001232010787 818233811 /nfs/dbraw/zinc/23/38/11/818233811.db2.gz AVHQAWWXCVDMAI-UHFFFAOYSA-N 2 1 269.323 3.334 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@](C)(CF)C2)c1 ZINC001232144314 818263451 /nfs/dbraw/zinc/26/34/51/818263451.db2.gz HXYNRHDCWCVQGS-MRXNPFEDSA-N 2 1 282.378 3.069 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C(C)(C)C)c1 ZINC001232148172 818263762 /nfs/dbraw/zinc/26/37/62/818263762.db2.gz XHWMDJIPSBUBLO-UHFFFAOYSA-N 2 1 252.377 3.118 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234994609 818972862 /nfs/dbraw/zinc/97/28/62/818972862.db2.gz VAYQIVPDOLGTLO-GOSISDBHSA-N 2 1 272.436 3.215 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041798 818988886 /nfs/dbraw/zinc/98/88/86/818988886.db2.gz SUFUKEWDMLCTBP-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046305 818990437 /nfs/dbraw/zinc/99/04/37/818990437.db2.gz PETOCFPYALFPPM-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091474 819000105 /nfs/dbraw/zinc/00/01/05/819000105.db2.gz CSDFCEPQPRZABE-UHFFFAOYSA-N 2 1 272.436 3.133 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@]23CC[NH2+]C3)C1(C)C ZINC001235111728 819007119 /nfs/dbraw/zinc/00/71/19/819007119.db2.gz SWMSWLMYUKIVTQ-NVXWUHKLSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112161 819007523 /nfs/dbraw/zinc/00/75/23/819007523.db2.gz XKOJXAKDZXQEAU-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CCCC34CC[NH2+]CC4)cc2)c1 ZINC001235143553 819014749 /nfs/dbraw/zinc/01/47/49/819014749.db2.gz FKZTZTIWGYZOLB-UHFFFAOYSA-N 2 1 295.430 3.195 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235143536 819014975 /nfs/dbraw/zinc/01/49/75/819014975.db2.gz DXLGQEGIWDLBAX-UHFFFAOYSA-N 2 1 276.399 3.161 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235155177 819017914 /nfs/dbraw/zinc/01/79/14/819017914.db2.gz NLSHDIOMSHPLKZ-KRWDZBQOSA-N 2 1 294.389 3.319 20 0 CGADMP c1cnc2c(c1)cccc2C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167519 819020813 /nfs/dbraw/zinc/02/08/13/819020813.db2.gz KLPPYLDSWYKIJG-IBGZPJMESA-N 2 1 295.430 3.343 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167519 819020820 /nfs/dbraw/zinc/02/08/20/819020820.db2.gz KLPPYLDSWYKIJG-IBGZPJMESA-N 2 1 295.430 3.343 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235183594 819028019 /nfs/dbraw/zinc/02/80/19/819028019.db2.gz BWRJKQTUQXZFIJ-WBVHZDCISA-N 2 1 280.415 3.190 20 0 CGADMP Clc1cccc(CC[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190413 819029284 /nfs/dbraw/zinc/02/92/84/819029284.db2.gz HLSXGSVNJVKHSP-UHFFFAOYSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191436 819031386 /nfs/dbraw/zinc/03/13/86/819031386.db2.gz ULZWGVKAVHQXAU-UHFFFAOYSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1ccccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191436 819031392 /nfs/dbraw/zinc/03/13/92/819031392.db2.gz ULZWGVKAVHQXAU-UHFFFAOYSA-N 2 1 278.827 3.448 20 0 CGADMP c1c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001235224509 819040467 /nfs/dbraw/zinc/04/04/67/819040467.db2.gz NDIMXFFXQBLVFA-TZMCWYRMSA-N 2 1 276.449 3.016 20 0 CGADMP CC(C)c1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])ccc1Cl ZINC001235256978 819053143 /nfs/dbraw/zinc/05/31/43/819053143.db2.gz VOYQVTQPZVZYNI-XEZPLFJOSA-N 2 1 278.827 3.385 20 0 CGADMP CC(C)c1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])ccc1Cl ZINC001235256978 819053151 /nfs/dbraw/zinc/05/31/51/819053151.db2.gz VOYQVTQPZVZYNI-XEZPLFJOSA-N 2 1 278.827 3.385 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235336777 819071206 /nfs/dbraw/zinc/07/12/06/819071206.db2.gz AHUSQSAHHJAPOD-JKSUJKDBSA-N 2 1 264.457 3.300 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342463 819072497 /nfs/dbraw/zinc/07/24/97/819072497.db2.gz VYXLZCXOHHVSDM-OAHLLOKOSA-N 2 1 298.455 3.456 20 0 CGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349668 819076549 /nfs/dbraw/zinc/07/65/49/819076549.db2.gz SXTGQVGBPKEIBO-KBAYOESNSA-N 2 1 272.436 3.112 20 0 CGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380182 819081527 /nfs/dbraw/zinc/08/15/27/819081527.db2.gz SXTGQVGBPKEIBO-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235401019 819086032 /nfs/dbraw/zinc/08/60/32/819086032.db2.gz FQHAPHBHLOYLQM-QZTJIDSGSA-N 2 1 290.426 3.163 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235406892 819087612 /nfs/dbraw/zinc/08/76/12/819087612.db2.gz RITROZPYWVXYRQ-MSOLQXFVSA-N 2 1 288.410 3.088 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424857 819092351 /nfs/dbraw/zinc/09/23/51/819092351.db2.gz KWBGAJWFGLVEDQ-JYJNAYRXSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@H+](Cc1cc2ccccc2s1)CC1CC[NH2+]CC1 ZINC001235433109 819096440 /nfs/dbraw/zinc/09/64/40/819096440.db2.gz GJOUZDQMTMBTJM-UHFFFAOYSA-N 2 1 274.433 3.333 20 0 CGADMP C[N@@H+](CCCCCc1ccccc1)CC1CC[NH2+]CC1 ZINC001235433576 819096549 /nfs/dbraw/zinc/09/65/49/819096549.db2.gz ATFZGGJERUZFHS-UHFFFAOYSA-N 2 1 274.452 3.331 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235673771 819135316 /nfs/dbraw/zinc/13/53/16/819135316.db2.gz DFKIPSBIBOLDFD-CYBMUJFWSA-N 2 1 274.433 3.380 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001235674271 819135890 /nfs/dbraw/zinc/13/58/90/819135890.db2.gz DOXKGWQGXDPTOT-FQEVSTJZSA-N 2 1 294.442 3.448 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710824 819147063 /nfs/dbraw/zinc/14/70/63/819147063.db2.gz GQWFGYSWXZIIFR-INIZCTEOSA-N 2 1 296.499 3.293 20 0 CGADMP Fc1ccc(F)c([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC001235712909 819148372 /nfs/dbraw/zinc/14/83/72/819148372.db2.gz DCUXHZQMLSBEPV-DYVFJYSZSA-N 2 1 294.389 3.491 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CCCC3(C[NH2+]C3)C2)s1 ZINC001235713218 819148955 /nfs/dbraw/zinc/14/89/55/819148955.db2.gz KLYHQKXSEDLRQP-UHFFFAOYSA-N 2 1 272.417 3.087 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCCC3(C[NH2+]C3)C2)s1 ZINC001235713218 819148958 /nfs/dbraw/zinc/14/89/58/819148958.db2.gz KLYHQKXSEDLRQP-UHFFFAOYSA-N 2 1 272.417 3.087 20 0 CGADMP Cc1c(F)ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235716440 819149776 /nfs/dbraw/zinc/14/97/76/819149776.db2.gz BZEOTGSIJVJFGG-UHFFFAOYSA-N 2 1 282.378 3.095 20 0 CGADMP Fc1ccccc1[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001235718169 819151368 /nfs/dbraw/zinc/15/13/68/819151368.db2.gz FPUZOQJMNCOSOX-KRWDZBQOSA-N 2 1 276.399 3.352 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001235719534 819152005 /nfs/dbraw/zinc/15/20/05/819152005.db2.gz VWEYBQSQAJPFIN-MRXNPFEDSA-N 2 1 264.388 3.482 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235724040 819153310 /nfs/dbraw/zinc/15/33/10/819153310.db2.gz CFOUAUGNZRJGMZ-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001235724040 819153314 /nfs/dbraw/zinc/15/33/14/819153314.db2.gz CFOUAUGNZRJGMZ-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP COC(C)(C)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001235826756 819176623 /nfs/dbraw/zinc/17/66/23/819176623.db2.gz BKYXSSIXABFCGN-MRXNPFEDSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235839556 819181705 /nfs/dbraw/zinc/18/17/05/819181705.db2.gz UXHNPZVVJLEPQO-UHFFFAOYSA-N 2 1 298.405 3.146 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCCCCOCc1ccccc1 ZINC001235894106 819203659 /nfs/dbraw/zinc/20/36/59/819203659.db2.gz ZXPWBSNXKNNTKW-AEFFLSMTSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCCCCOCc1ccccc1 ZINC001235894106 819203664 /nfs/dbraw/zinc/20/36/64/819203664.db2.gz ZXPWBSNXKNNTKW-AEFFLSMTSA-N 2 1 290.451 3.185 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)cc1 ZINC001235909520 819218533 /nfs/dbraw/zinc/21/85/33/819218533.db2.gz DTOKFHLDIVLQOV-JCGIZDLHSA-N 2 1 292.442 3.360 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)cc1 ZINC001235909520 819218535 /nfs/dbraw/zinc/21/85/35/819218535.db2.gz DTOKFHLDIVLQOV-JCGIZDLHSA-N 2 1 292.442 3.360 20 0 CGADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918914 819221268 /nfs/dbraw/zinc/22/12/68/819221268.db2.gz PIDCJBHCEMPIQW-CYBMUJFWSA-N 2 1 286.341 3.234 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925963 819224653 /nfs/dbraw/zinc/22/46/53/819224653.db2.gz UCLXSZFMTGZXAJ-KRWDZBQOSA-N 2 1 284.403 3.162 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c(Cl)c1 ZINC001235925854 819225546 /nfs/dbraw/zinc/22/55/46/819225546.db2.gz PWGCGLBTNFRLSF-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c(Cl)c1 ZINC001235925854 819225551 /nfs/dbraw/zinc/22/55/51/819225551.db2.gz PWGCGLBTNFRLSF-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235934528 819231129 /nfs/dbraw/zinc/23/11/29/819231129.db2.gz BJLGRKUJKVWKAY-RYUDHWBXSA-N 2 1 296.867 3.103 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235934528 819231134 /nfs/dbraw/zinc/23/11/34/819231134.db2.gz BJLGRKUJKVWKAY-RYUDHWBXSA-N 2 1 296.867 3.103 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948207 819237371 /nfs/dbraw/zinc/23/73/71/819237371.db2.gz LPZGYANIRCDTKR-IBGZPJMESA-N 2 1 282.431 3.469 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948207 819237372 /nfs/dbraw/zinc/23/73/72/819237372.db2.gz LPZGYANIRCDTKR-IBGZPJMESA-N 2 1 282.431 3.469 20 0 CGADMP c1ccc(CC[N@H+](Cc2ccccc2)C[C@H]2CC[NH2+]C2)cc1 ZINC001235948620 819238330 /nfs/dbraw/zinc/23/83/30/819238330.db2.gz RGCANXFTOFUGRK-FQEVSTJZSA-N 2 1 294.442 3.341 20 0 CGADMP C[N@@H+](Cc1cc2ccc(Cl)cc2[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC001235956160 819244603 /nfs/dbraw/zinc/24/46/03/819244603.db2.gz AHWXSEJHVYSQNL-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1cc2ccc(Cl)cc2[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC001235956160 819244606 /nfs/dbraw/zinc/24/46/06/819244606.db2.gz AHWXSEJHVYSQNL-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001235957467 819246143 /nfs/dbraw/zinc/24/61/43/819246143.db2.gz OZUHACNJVCMVPG-SFHVURJKSA-N 2 1 274.452 3.461 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959184 819247870 /nfs/dbraw/zinc/24/78/70/819247870.db2.gz GRBBKJUKXJHESJ-QHBPRCKVSA-N 2 1 296.867 3.231 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959184 819247878 /nfs/dbraw/zinc/24/78/78/819247878.db2.gz GRBBKJUKXJHESJ-QHBPRCKVSA-N 2 1 296.867 3.231 20 0 CGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1CCCCC[NH3+] ZINC001235961323 819249756 /nfs/dbraw/zinc/24/97/56/819249756.db2.gz FRPCFGGIVDVMIZ-HZPDHXFCSA-N 2 1 270.461 3.379 20 0 CGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC12CC([NH3+])(C1)C2 ZINC001235962777 819251435 /nfs/dbraw/zinc/25/14/35/819251435.db2.gz PNYWZYFJTPWDSX-XNIRIUNOSA-N 2 1 280.456 3.131 20 0 CGADMP C[C@H](C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1)c1cccc2ccccc21 ZINC001235977682 819257389 /nfs/dbraw/zinc/25/73/89/819257389.db2.gz HNUHXGOBDKPZEB-IDHHARJASA-N 2 1 280.415 3.366 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC001236068270 819298268 /nfs/dbraw/zinc/29/82/68/819298268.db2.gz XLQJRZOZEMBJDJ-QGZVFWFLSA-N 2 1 274.452 3.270 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236072283 819300557 /nfs/dbraw/zinc/30/05/57/819300557.db2.gz QZJLUEOQSWOHTA-HNNXBMFYSA-N 2 1 292.426 3.279 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236072377 819300762 /nfs/dbraw/zinc/30/07/62/819300762.db2.gz SOEUBKLJVRGXLQ-OAHLLOKOSA-N 2 1 292.426 3.279 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236072971 819301721 /nfs/dbraw/zinc/30/17/21/819301721.db2.gz ZBJCNDXMGXKBNP-ZDUSSCGKSA-N 2 1 298.455 3.341 20 0 CGADMP Clc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001236088029 819309621 /nfs/dbraw/zinc/30/96/21/819309621.db2.gz IQIFLGVAQYFLHO-UHFFFAOYSA-N 2 1 283.762 3.342 20 0 CGADMP C[C@@H]1C[N@H+](CC(C)(C)Sc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001236093003 819312459 /nfs/dbraw/zinc/31/24/59/819312459.db2.gz CTQWADSDBXIUBC-RISCZKNCSA-N 2 1 298.883 3.490 20 0 CGADMP C[C@@H]1C[N@@H+](CC(C)(C)Sc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001236093003 819312464 /nfs/dbraw/zinc/31/24/64/819312464.db2.gz CTQWADSDBXIUBC-RISCZKNCSA-N 2 1 298.883 3.490 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CCC[NH2+][C@@H](C)C2)c(C)c1C ZINC001236095594 819313937 /nfs/dbraw/zinc/31/39/37/819313937.db2.gz WZJGKICEPHBDTK-LBPRGKRZSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[N@@H+](Cc1[nH]c2ccccc2c1C)C1CC[NH2+]CC1 ZINC001236182682 819359421 /nfs/dbraw/zinc/35/94/21/819359421.db2.gz SWKULDJOWTUPMO-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP CCC[N@@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH2+]CC1 ZINC001236182359 819360246 /nfs/dbraw/zinc/36/02/46/819360246.db2.gz MNAACYRXEHOGCA-UHFFFAOYSA-N 2 1 297.446 3.441 20 0 CGADMP CCC[N@H+](Cc1cccc(C)c1F)C1CC[NH2+]CC1 ZINC001236183163 819360707 /nfs/dbraw/zinc/36/07/07/819360707.db2.gz WEECBRJXFAEPQM-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CCC[N@@H+](Cc1cccc(C)c1F)C1CC[NH2+]CC1 ZINC001236183163 819360714 /nfs/dbraw/zinc/36/07/14/819360714.db2.gz WEECBRJXFAEPQM-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CCC[N@@H+](CCc1cccc(C)c1)C1CC[NH2+]CC1 ZINC001236180552 819360836 /nfs/dbraw/zinc/36/08/36/819360836.db2.gz MCBNWWIRNPTLAE-UHFFFAOYSA-N 2 1 260.425 3.002 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001236190343 819362922 /nfs/dbraw/zinc/36/29/22/819362922.db2.gz VZYYXGHBWREJGM-KDOFPFPSSA-N 2 1 283.419 3.304 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)CC1(F)CC[NH2+]CC1 ZINC001236195518 819364406 /nfs/dbraw/zinc/36/44/06/819364406.db2.gz UKZCPCHZGBOZSE-UHFFFAOYSA-N 2 1 284.806 3.254 20 0 CGADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236194236 819364425 /nfs/dbraw/zinc/36/44/25/819364425.db2.gz UVKFYQJHNRNJEL-BLLLJJGKSA-N 2 1 257.381 3.042 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236213857 819376407 /nfs/dbraw/zinc/37/64/07/819376407.db2.gz PCFANOCGSOWACN-WBVHZDCISA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236213857 819376411 /nfs/dbraw/zinc/37/64/11/819376411.db2.gz PCFANOCGSOWACN-WBVHZDCISA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236213855 819376853 /nfs/dbraw/zinc/37/68/53/819376853.db2.gz PCFANOCGSOWACN-RDJZCZTQSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236213855 819376858 /nfs/dbraw/zinc/37/68/58/819376858.db2.gz PCFANOCGSOWACN-RDJZCZTQSA-N 2 1 271.408 3.178 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)cc(F)c2)CC1 ZINC001236214902 819377921 /nfs/dbraw/zinc/37/79/21/819377921.db2.gz KJKTWOIJOPKKLK-UHFFFAOYSA-N 2 1 264.388 3.097 20 0 CGADMP CCOc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1C ZINC001236215425 819378806 /nfs/dbraw/zinc/37/88/06/819378806.db2.gz HYDQQUCZFAXBSY-JKSUJKDBSA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1C ZINC001236215425 819378809 /nfs/dbraw/zinc/37/88/09/819378809.db2.gz HYDQQUCZFAXBSY-JKSUJKDBSA-N 2 1 276.424 3.095 20 0 CGADMP Cc1ccnc2cccc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])c12 ZINC001236216715 819382251 /nfs/dbraw/zinc/38/22/51/819382251.db2.gz LXSANUPHIGQYMU-WBVHZDCISA-N 2 1 283.419 3.245 20 0 CGADMP CCn1ccc2ccc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc21 ZINC001236218672 819383976 /nfs/dbraw/zinc/38/39/76/819383976.db2.gz SUEQLBIPWGEQLP-SJORKVTESA-N 2 1 285.435 3.363 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc21 ZINC001236218672 819383982 /nfs/dbraw/zinc/38/39/82/819383982.db2.gz SUEQLBIPWGEQLP-SJORKVTESA-N 2 1 285.435 3.363 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227085 819391419 /nfs/dbraw/zinc/39/14/19/819391419.db2.gz ZIVVFOXISVMZFM-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236243111 819400958 /nfs/dbraw/zinc/40/09/58/819400958.db2.gz CFOUAUGNZRJGMZ-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001236243111 819400966 /nfs/dbraw/zinc/40/09/66/819400966.db2.gz CFOUAUGNZRJGMZ-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315039 819421081 /nfs/dbraw/zinc/42/10/81/819421081.db2.gz VAEAKWNZPNAENM-VYRCICMXSA-N 2 1 264.457 3.444 20 0 CGADMP c1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001236315230 819421087 /nfs/dbraw/zinc/42/10/87/819421087.db2.gz WYAOJYNDYUQJFQ-KDURUIRLSA-N 2 1 280.415 3.271 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236320618 819424524 /nfs/dbraw/zinc/42/45/24/819424524.db2.gz KAAGXCYWJZFYAP-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP COCC[N@H+](CC[C@@H]1CC=C(C)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236331130 819428467 /nfs/dbraw/zinc/42/84/67/819428467.db2.gz WQBUBFSAVFBJMW-DLBZAZTESA-N 2 1 294.483 3.069 20 0 CGADMP COCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236331130 819428470 /nfs/dbraw/zinc/42/84/70/819428470.db2.gz WQBUBFSAVFBJMW-DLBZAZTESA-N 2 1 294.483 3.069 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236379639 819442785 /nfs/dbraw/zinc/44/27/85/819442785.db2.gz DOAWPOVMKPRVGE-PBHICJAKSA-N 2 1 290.426 3.283 20 0 CGADMP CC[N@H+](Cc1cc(C)cc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236409567 819456649 /nfs/dbraw/zinc/45/66/49/819456649.db2.gz BRMJATYESXQCLT-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CCCc1ccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)s1 ZINC001236410428 819457512 /nfs/dbraw/zinc/45/75/12/819457512.db2.gz ZYYRZIRHXRYJOC-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236418089 819463643 /nfs/dbraw/zinc/46/36/43/819463643.db2.gz ZXRAULFYOQNLQG-HALDLXJZSA-N 2 1 297.446 3.115 20 0 CGADMP C[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236418089 819463646 /nfs/dbraw/zinc/46/36/46/819463646.db2.gz ZXRAULFYOQNLQG-HALDLXJZSA-N 2 1 297.446 3.115 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2cccccc1-2 ZINC001236419081 819465738 /nfs/dbraw/zinc/46/57/38/819465738.db2.gz JTTLDTXGYQBFNG-CXAGYDPISA-N 2 1 254.377 3.103 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001236419081 819465739 /nfs/dbraw/zinc/46/57/39/819465739.db2.gz JTTLDTXGYQBFNG-CXAGYDPISA-N 2 1 254.377 3.103 20 0 CGADMP COc1ccsc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456954 819485173 /nfs/dbraw/zinc/48/51/73/819485173.db2.gz HGYFESXUSKNEBB-UHFFFAOYSA-N 2 1 296.480 3.357 20 0 CGADMP COc1ccsc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456954 819485176 /nfs/dbraw/zinc/48/51/76/819485176.db2.gz HGYFESXUSKNEBB-UHFFFAOYSA-N 2 1 296.480 3.357 20 0 CGADMP CC(C)[N@H+](Cc1cccc2ccoc21)[C@H]1CC[NH2+]C1 ZINC001236530735 819522821 /nfs/dbraw/zinc/52/28/21/819522821.db2.gz UKXIDBWPHOXRRS-HNNXBMFYSA-N 2 1 258.365 3.005 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2ccoc21)[C@H]1CC[NH2+]C1 ZINC001236530735 819522828 /nfs/dbraw/zinc/52/28/28/819522828.db2.gz UKXIDBWPHOXRRS-HNNXBMFYSA-N 2 1 258.365 3.005 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001236604223 819550551 /nfs/dbraw/zinc/55/05/51/819550551.db2.gz JMTMBCDCUUHLMD-UHFFFAOYSA-N 2 1 292.426 3.199 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1F ZINC001236634996 819556504 /nfs/dbraw/zinc/55/65/04/819556504.db2.gz ZTIXNKYKCPEVJR-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP Clc1ccc(CC[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236633370 819556649 /nfs/dbraw/zinc/55/66/49/819556649.db2.gz GIYVJKZDKWPOSA-UHFFFAOYSA-N 2 1 292.854 3.489 20 0 CGADMP CC(C)(C)C[N@@H+](CC[C@@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766640 819591420 /nfs/dbraw/zinc/59/14/20/819591420.db2.gz BCIUTIGUAYSHBJ-ULQDDVLXSA-N 3 1 295.515 3.137 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc12 ZINC001236818110 819605764 /nfs/dbraw/zinc/60/57/64/819605764.db2.gz GHVXZMJNNBGJLJ-ZYSHUDEJSA-N 2 1 280.415 3.317 20 0 CGADMP CCC[N@H+](Cc1c[nH]c2c1cccc2C)C[C@@H]1CC[NH2+]C1 ZINC001236833439 819613815 /nfs/dbraw/zinc/61/38/15/819613815.db2.gz BHFYZCADSJSYJH-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@H+](Cc1ccc2nc(C)ccc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236833457 819613869 /nfs/dbraw/zinc/61/38/69/819613869.db2.gz BNOZXKDOEFYACB-QGZVFWFLSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@@H+](Cc1cc(Cl)ccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236835994 819614447 /nfs/dbraw/zinc/61/44/47/819614447.db2.gz RXHAVQZDIKVLSA-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)ccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236835994 819614449 /nfs/dbraw/zinc/61/44/49/819614449.db2.gz RXHAVQZDIKVLSA-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1ccccc1OC(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236835955 819614514 /nfs/dbraw/zinc/61/45/14/819614514.db2.gz RGGPGQIRUIPVFZ-CYBMUJFWSA-N 2 1 298.377 3.110 20 0 CGADMP CCC[N@H+](Cc1cc(C)sc1C)C[C@@H]1CC[NH2+]C1 ZINC001236835636 819614668 /nfs/dbraw/zinc/61/46/68/819614668.db2.gz OFOIUPVNLGBHKR-CQSZACIVSA-N 2 1 266.454 3.186 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c(F)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236843525 819618314 /nfs/dbraw/zinc/61/83/14/819618314.db2.gz PJMTWRBKKSVZBP-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)cs1)C[C@@H]1CC[NH2+]C1 ZINC001236843894 819619212 /nfs/dbraw/zinc/61/92/12/819619212.db2.gz SCTFPHSYFPOKFJ-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c2ccccc12 ZINC001236868596 819628234 /nfs/dbraw/zinc/62/82/34/819628234.db2.gz NUIRCVDVZWBDIJ-ZDUSSCGKSA-N 2 1 260.356 3.148 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c2ccccc12 ZINC001236868596 819628239 /nfs/dbraw/zinc/62/82/39/819628239.db2.gz NUIRCVDVZWBDIJ-ZDUSSCGKSA-N 2 1 260.356 3.148 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236948664 819638333 /nfs/dbraw/zinc/63/83/33/819638333.db2.gz GMNYKTWYKAMCPW-KRWDZBQOSA-N 2 1 260.425 3.070 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055165 819655181 /nfs/dbraw/zinc/65/51/81/819655181.db2.gz ANIFCSFNSHRYJQ-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055165 819655184 /nfs/dbraw/zinc/65/51/84/819655184.db2.gz ANIFCSFNSHRYJQ-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCC2CCCCC2)C1 ZINC001237057987 819657050 /nfs/dbraw/zinc/65/70/50/819657050.db2.gz OYCMBSJVERYERH-INIZCTEOSA-N 2 1 252.446 3.408 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001237326658 819727502 /nfs/dbraw/zinc/72/75/02/819727502.db2.gz HWASGYBRIIVESH-UHFFFAOYSA-N 2 1 274.452 3.475 20 0 CGADMP CCc1cccc(C)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC001237336538 819732155 /nfs/dbraw/zinc/73/21/55/819732155.db2.gz XDTFACHUXSONJB-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237393332 819741350 /nfs/dbraw/zinc/74/13/50/819741350.db2.gz RIPAVIPOWSXQLO-XJKSGUPXSA-N 2 1 278.465 3.275 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237393332 819741346 /nfs/dbraw/zinc/74/13/46/819741346.db2.gz RIPAVIPOWSXQLO-XJKSGUPXSA-N 2 1 278.465 3.275 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2o1 ZINC001237389476 819741902 /nfs/dbraw/zinc/74/19/02/819741902.db2.gz GLACWDUFOIDLJP-HOTGVXAUSA-N 2 1 270.376 3.007 20 0 CGADMP c1cc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2o1 ZINC001237389476 819741905 /nfs/dbraw/zinc/74/19/05/819741905.db2.gz GLACWDUFOIDLJP-HOTGVXAUSA-N 2 1 270.376 3.007 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237404614 819745127 /nfs/dbraw/zinc/74/51/27/819745127.db2.gz OBOCHOSMKDSECR-QZTJIDSGSA-N 2 1 272.436 3.213 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237414415 819746431 /nfs/dbraw/zinc/74/64/31/819746431.db2.gz KQPRTDOJTSUKEJ-ZBFHGGJFSA-N 2 1 286.444 3.475 20 0 CGADMP CCOc1cc(F)cc(C[N@@H+](CC)C2CCN(C)CC2)c1 ZINC001237917286 819881839 /nfs/dbraw/zinc/88/18/39/819881839.db2.gz QQXGPVWCIHJIHF-UHFFFAOYSA-N 2 1 294.414 3.141 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1cccc(C2([NH3+])CCC2)c1 ZINC001241251449 821673585 /nfs/dbraw/zinc/67/35/85/821673585.db2.gz WIWAMZAKWKJZJD-UHFFFAOYSA-N 2 1 281.403 3.461 20 0 CGADMP Cc1c(N)cc[nH+]c1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241502512 821904208 /nfs/dbraw/zinc/90/42/08/821904208.db2.gz ZBIUYINSORHTEV-UHFFFAOYSA-N 2 1 279.387 3.262 20 0 CGADMP C[N@H+]1CC[C@H](c2ccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC001242027512 822290903 /nfs/dbraw/zinc/29/09/03/822290903.db2.gz DEWGBFWYRLAVDA-JQHSSLGASA-N 2 1 268.404 3.013 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC001335419242 936144353 /nfs/dbraw/zinc/14/43/53/936144353.db2.gz CZRUFJPNWRFMPK-QGZVFWFLSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001335419242 936144355 /nfs/dbraw/zinc/14/43/55/936144355.db2.gz CZRUFJPNWRFMPK-QGZVFWFLSA-N 2 1 290.426 3.032 20 0 CGADMP COCCCC1(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC001335441559 936146414 /nfs/dbraw/zinc/14/64/14/936146414.db2.gz PPGQMTDIYGMLHE-KRWDZBQOSA-N 2 1 296.499 3.293 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC001340517704 936406891 /nfs/dbraw/zinc/40/68/91/936406891.db2.gz VKDCHEUEKZDBLR-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(CC[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001343332615 936495419 /nfs/dbraw/zinc/49/54/19/936495419.db2.gz FVXLRXVMBMKBIA-FHWLQOOXSA-N 2 1 286.463 3.200 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC001343497059 936503681 /nfs/dbraw/zinc/50/36/81/936503681.db2.gz UIZIMEYDFDXSLS-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC001344581219 936539292 /nfs/dbraw/zinc/53/92/92/936539292.db2.gz SMUNYKYAIZHWPE-SOVGHPHASA-N 2 1 297.446 3.098 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)C1CCCCC1 ZINC001474504160 937863616 /nfs/dbraw/zinc/86/36/16/937863616.db2.gz CAOBEQNQDACWKL-BFYDXBDKSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)C1CCCCC1 ZINC001474504160 937863618 /nfs/dbraw/zinc/86/36/18/937863618.db2.gz CAOBEQNQDACWKL-BFYDXBDKSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC001474504160 937863620 /nfs/dbraw/zinc/86/36/20/937863620.db2.gz CAOBEQNQDACWKL-BFYDXBDKSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC001474504160 937863621 /nfs/dbraw/zinc/86/36/21/937863621.db2.gz CAOBEQNQDACWKL-BFYDXBDKSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001350637010 936997529 /nfs/dbraw/zinc/99/75/29/936997529.db2.gz VVEYHRKAHJKACR-NUJGCVRESA-N 2 1 272.436 3.254 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC1CC1)C1CC1 ZINC001167841792 927029771 /nfs/dbraw/zinc/02/97/71/927029771.db2.gz QYOQABVNGFINMC-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C)cc3F)(C1)CCC2 ZINC001275427575 928522085 /nfs/dbraw/zinc/52/20/85/928522085.db2.gz QNCXEYDKEUPOOP-DLBZAZTESA-N 2 1 276.399 3.289 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC001462100897 928775023 /nfs/dbraw/zinc/77/50/23/928775023.db2.gz SVPNDXWHBMUWAT-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP C1[C@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]12 ZINC001462440173 928792010 /nfs/dbraw/zinc/79/20/10/928792010.db2.gz MLCIWLSADJPASU-OHFALNGGSA-N 2 1 262.441 3.172 20 0 CGADMP C1[C@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]12 ZINC001462440173 928792013 /nfs/dbraw/zinc/79/20/13/928792013.db2.gz MLCIWLSADJPASU-OHFALNGGSA-N 2 1 262.441 3.172 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001460577412 937535516 /nfs/dbraw/zinc/53/55/16/937535516.db2.gz LVTDQNURMOQHHZ-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001460800757 937545951 /nfs/dbraw/zinc/54/59/51/937545951.db2.gz KDABKVJVFVAPBX-JKSUJKDBSA-N 2 1 275.440 3.274 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CC)cc2)C1 ZINC000098173234 931995190 /nfs/dbraw/zinc/99/51/90/931995190.db2.gz ZOHRQTFFZFPGDI-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP CC(C)C1CCC(C[NH2+]C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001461068407 937561953 /nfs/dbraw/zinc/56/19/53/937561953.db2.gz YUBOPNIPGQHHIZ-DQPZFDDXSA-N 2 1 266.473 3.379 20 0 CGADMP CC[N@H+]1CC[C@H](Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229448617 932153743 /nfs/dbraw/zinc/15/37/43/932153743.db2.gz MOVVHSVIJUKDEB-SFHVURJKSA-N 2 1 288.435 3.146 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001461860982 937602910 /nfs/dbraw/zinc/60/29/10/937602910.db2.gz JMEICENYBQBNPC-AEFFLSMTSA-N 2 1 287.451 3.035 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001461860982 937602912 /nfs/dbraw/zinc/60/29/12/937602912.db2.gz JMEICENYBQBNPC-AEFFLSMTSA-N 2 1 287.451 3.035 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001461860982 937602915 /nfs/dbraw/zinc/60/29/15/937602915.db2.gz JMEICENYBQBNPC-AEFFLSMTSA-N 2 1 287.451 3.035 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1CC ZINC001462198957 937624705 /nfs/dbraw/zinc/62/47/05/937624705.db2.gz GQGQDZGZGHAHET-UHFFFAOYSA-N 2 1 292.467 3.421 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC001307979377 933028971 /nfs/dbraw/zinc/02/89/71/933028971.db2.gz YNRONIGLRPDKTF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC001307979377 933028975 /nfs/dbraw/zinc/02/89/75/933028975.db2.gz YNRONIGLRPDKTF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001308159616 933062199 /nfs/dbraw/zinc/06/21/99/933062199.db2.gz JASVPKIMOACXSO-DLBZAZTESA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001308159616 933062203 /nfs/dbraw/zinc/06/22/03/933062203.db2.gz JASVPKIMOACXSO-DLBZAZTESA-N 2 1 291.439 3.005 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001308223028 933076343 /nfs/dbraw/zinc/07/63/43/933076343.db2.gz PRLMZWKPYLKYJU-LTIDMASMSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC001308223028 933076345 /nfs/dbraw/zinc/07/63/45/933076345.db2.gz PRLMZWKPYLKYJU-LTIDMASMSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccccc2OC)C1 ZINC001308231787 933077115 /nfs/dbraw/zinc/07/71/15/933077115.db2.gz MIHIATVOOLRGPG-CXSQMQJXSA-N 2 1 288.435 3.030 20 0 CGADMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001462656436 937657340 /nfs/dbraw/zinc/65/73/40/937657340.db2.gz XFGWJQNWKYAWOB-GBESFXJTSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001308740902 933168105 /nfs/dbraw/zinc/16/81/05/933168105.db2.gz OPOXTCJIRKVBJR-AWEZNQCLSA-N 2 1 289.448 3.116 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001308799106 933179535 /nfs/dbraw/zinc/17/95/35/933179535.db2.gz FCLVYMUBKJPAMP-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001308799106 933179539 /nfs/dbraw/zinc/17/95/39/933179539.db2.gz FCLVYMUBKJPAMP-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001308850248 933189405 /nfs/dbraw/zinc/18/94/05/933189405.db2.gz ZZIIGHQPXJOSRF-JYJNAYRXSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001308960785 933213990 /nfs/dbraw/zinc/21/39/90/933213990.db2.gz NFPOYKFBNGHPHY-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP CC[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001308960785 933213987 /nfs/dbraw/zinc/21/39/87/933213987.db2.gz NFPOYKFBNGHPHY-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP CC[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001308960785 933213995 /nfs/dbraw/zinc/21/39/95/933213995.db2.gz NFPOYKFBNGHPHY-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001308976728 933218704 /nfs/dbraw/zinc/21/87/04/933218704.db2.gz BIHXHAYGJREJRR-DFBDCSAJSA-N 2 1 278.484 3.475 20 0 CGADMP CNc1ccc(C)cc1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001308983201 933221307 /nfs/dbraw/zinc/22/13/07/933221307.db2.gz BBMYWUPCVAYIRP-UHFFFAOYSA-N 2 1 289.467 3.389 20 0 CGADMP Cc1sccc1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001308983703 933221770 /nfs/dbraw/zinc/22/17/70/933221770.db2.gz AKWCJGADVYSCPS-CALCHBBNSA-N 2 1 290.476 3.364 20 0 CGADMP Cc1sccc1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001308983703 933221776 /nfs/dbraw/zinc/22/17/76/933221776.db2.gz AKWCJGADVYSCPS-CALCHBBNSA-N 2 1 290.476 3.364 20 0 CGADMP Cc1sccc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308983703 933221780 /nfs/dbraw/zinc/22/17/80/933221780.db2.gz AKWCJGADVYSCPS-CALCHBBNSA-N 2 1 290.476 3.364 20 0 CGADMP Cc1sccc1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308983703 933221786 /nfs/dbraw/zinc/22/17/86/933221786.db2.gz AKWCJGADVYSCPS-CALCHBBNSA-N 2 1 290.476 3.364 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC001319282198 933852134 /nfs/dbraw/zinc/85/21/34/933852134.db2.gz HNDZNQOBFLUKNV-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC001319282198 933852145 /nfs/dbraw/zinc/85/21/45/933852145.db2.gz HNDZNQOBFLUKNV-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001319468701 933880424 /nfs/dbraw/zinc/88/04/24/933880424.db2.gz FNQZYMZBRPKAJO-MLGOLLRUSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001319468701 933880432 /nfs/dbraw/zinc/88/04/32/933880432.db2.gz FNQZYMZBRPKAJO-MLGOLLRUSA-N 2 1 294.389 3.274 20 0 CGADMP C[C@@H](C[NH2+]CCc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC001319913195 933955721 /nfs/dbraw/zinc/95/57/21/933955721.db2.gz JILISJUAOLMYDR-CABCVRRESA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H](C[NH2+]CCc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC001319913195 933955726 /nfs/dbraw/zinc/95/57/26/933955726.db2.gz JILISJUAOLMYDR-CABCVRRESA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H](C[NH2+]CCc1ccc(F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC001319912349 933957065 /nfs/dbraw/zinc/95/70/65/933957065.db2.gz DRHLIOCXMZQOOR-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H](C[NH2+]CCc1ccc(F)cc1)[N@H+]1CCC[C@H](C)C1 ZINC001319912349 933957070 /nfs/dbraw/zinc/95/70/70/933957070.db2.gz DRHLIOCXMZQOOR-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC001320754621 934097830 /nfs/dbraw/zinc/09/78/30/934097830.db2.gz VOUILTDRGJPKJL-MRXNPFEDSA-N 2 1 278.415 3.078 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001321042021 934142451 /nfs/dbraw/zinc/14/24/51/934142451.db2.gz DBQOEIWEVIGNOA-JKSUJKDBSA-N 2 1 262.441 3.246 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001322523211 934310561 /nfs/dbraw/zinc/31/05/61/934310561.db2.gz QFGQMMREFOHIDG-GXTWGEPZSA-N 2 1 298.390 3.341 20 0 CGADMP COc1ccccc1C1([NH2+]CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001323438387 934398215 /nfs/dbraw/zinc/39/82/15/934398215.db2.gz DTELIERBTORZJI-OAHLLOKOSA-N 2 1 288.435 3.148 20 0 CGADMP COc1ccccc1C1([NH2+]CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001323438387 934398225 /nfs/dbraw/zinc/39/82/25/934398225.db2.gz DTELIERBTORZJI-OAHLLOKOSA-N 2 1 288.435 3.148 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001323977313 934444040 /nfs/dbraw/zinc/44/40/40/934444040.db2.gz NWPYLLKMKPWEIU-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC001324158427 934467655 /nfs/dbraw/zinc/46/76/55/934467655.db2.gz LWVHTRMYKMUVBX-WCQYABFASA-N 2 1 289.810 3.141 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001324444308 934504319 /nfs/dbraw/zinc/50/43/19/934504319.db2.gz XACGJQZPPBDSGH-AEFFLSMTSA-N 2 1 274.452 3.246 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC3(CCC3)C2)C[C@H]1C ZINC001473211340 937797607 /nfs/dbraw/zinc/79/76/07/937797607.db2.gz XVXLMTWDXFQNIQ-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP COc1ccc(Cl)cc1CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC001325717695 934924929 /nfs/dbraw/zinc/92/49/29/934924929.db2.gz QFBJAACIPUYPHE-IUODEOHRSA-N 2 1 296.842 3.011 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC001325722850 934925113 /nfs/dbraw/zinc/92/51/13/934925113.db2.gz OPCAIXBAPXTQTD-NEPJUHHUSA-N 2 1 276.380 3.090 20 0 CGADMP C[C@H]([NH2+]CCc1c(F)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC001326459973 934981157 /nfs/dbraw/zinc/98/11/57/934981157.db2.gz YSCKNHLYQZLTIN-XHDPSFHLSA-N 2 1 284.806 3.142 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC001327841347 935088876 /nfs/dbraw/zinc/08/88/76/935088876.db2.gz VXGYXEOBSBIDQC-ZJUUUORDSA-N 2 1 290.329 3.076 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCc3c1cccc3F)C2 ZINC001330566344 935297477 /nfs/dbraw/zinc/29/74/77/935297477.db2.gz JAQVNCMZHRCPFO-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCc3c1cccc3F)C2 ZINC001330566344 935297482 /nfs/dbraw/zinc/29/74/82/935297482.db2.gz JAQVNCMZHRCPFO-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCc3c1cccc3F)C2 ZINC001330566344 935297486 /nfs/dbraw/zinc/29/74/86/935297486.db2.gz JAQVNCMZHRCPFO-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCc3c1cccc3F)C2 ZINC001330566344 935297490 /nfs/dbraw/zinc/29/74/90/935297490.db2.gz JAQVNCMZHRCPFO-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[C@@H](COc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331516913 935387754 /nfs/dbraw/zinc/38/77/54/935387754.db2.gz AUVCFMDNZVLXBX-UONOGXRCSA-N 2 1 294.414 3.055 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC001333422186 935534839 /nfs/dbraw/zinc/53/48/39/935534839.db2.gz ODEZFJJMQOWCFK-RKVPGOIHSA-N 2 1 272.436 3.241 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC001333840531 936070943 /nfs/dbraw/zinc/07/09/43/936070943.db2.gz GUDHHNYVDYTYTO-FSGKZVOOSA-N 2 1 298.474 3.452 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC001473725853 937819497 /nfs/dbraw/zinc/81/94/97/937819497.db2.gz WLCOWVAXQNJEMD-RBUKOAKNSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC001473725853 937819499 /nfs/dbraw/zinc/81/94/99/937819499.db2.gz WLCOWVAXQNJEMD-RBUKOAKNSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC001473725853 937819501 /nfs/dbraw/zinc/81/95/01/937819501.db2.gz WLCOWVAXQNJEMD-RBUKOAKNSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC001473725853 937819503 /nfs/dbraw/zinc/81/95/03/937819503.db2.gz WLCOWVAXQNJEMD-RBUKOAKNSA-N 2 1 286.463 3.411 20 0 CGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCSCc1ccccc1 ZINC001473787942 937821579 /nfs/dbraw/zinc/82/15/79/937821579.db2.gz FIMSTVLNLPLVEO-DLBZAZTESA-N 2 1 290.476 3.088 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCSCc1ccccc1 ZINC001473787942 937821581 /nfs/dbraw/zinc/82/15/81/937821581.db2.gz FIMSTVLNLPLVEO-DLBZAZTESA-N 2 1 290.476 3.088 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCSCc1ccccc1 ZINC001473787942 937821584 /nfs/dbraw/zinc/82/15/84/937821584.db2.gz FIMSTVLNLPLVEO-DLBZAZTESA-N 2 1 290.476 3.088 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001474409651 937858162 /nfs/dbraw/zinc/85/81/62/937858162.db2.gz HLWHFMOOECXNKP-HNNXBMFYSA-N 2 1 260.425 3.411 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cccn1C(F)F)[NH+]1CCCCC1 ZINC001474436454 937860118 /nfs/dbraw/zinc/86/01/18/937860118.db2.gz GECJJBVTMIAFKE-ZDUSSCGKSA-N 2 1 285.382 3.237 20 0 CGADMP CC(C)CCCC[N@H+]1CCCC12CC[NH+](C)CC2 ZINC001474444739 937860150 /nfs/dbraw/zinc/86/01/50/937860150.db2.gz OYIJNHWVSSOKHW-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CCC(CC)C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001474647862 937872733 /nfs/dbraw/zinc/87/27/33/937872733.db2.gz VQEJOGOBYSGKAK-HOCLYGCPSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001549034293 938154462 /nfs/dbraw/zinc/15/44/62/938154462.db2.gz NQVHNIIHEFBTGN-SPUZQDLCSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC001549545578 938157710 /nfs/dbraw/zinc/15/77/10/938157710.db2.gz GMOYXQREXOEIBO-XHSDSOJGSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1nc([C@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)sc1C ZINC001549776745 938159523 /nfs/dbraw/zinc/15/95/23/938159523.db2.gz WFNYFSYPGGJJIK-LSDHHAIUSA-N 2 1 293.480 3.287 20 0 CGADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1[C@@H](c2ccccc2)C1(F)F ZINC001550349311 938166217 /nfs/dbraw/zinc/16/62/17/938166217.db2.gz NVBXDYVKEJFOIW-LSDHHAIUSA-N 2 1 294.389 3.109 20 0 CGADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1[C@@H](c2ccccc2)C1(F)F ZINC001550349311 938166216 /nfs/dbraw/zinc/16/62/16/938166216.db2.gz NVBXDYVKEJFOIW-LSDHHAIUSA-N 2 1 294.389 3.109 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001550543037 938167588 /nfs/dbraw/zinc/16/75/88/938167588.db2.gz DYHHWYGZDVQHBQ-GJZGRUSLSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001550543037 938167589 /nfs/dbraw/zinc/16/75/89/938167589.db2.gz DYHHWYGZDVQHBQ-GJZGRUSLSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001550543037 938167590 /nfs/dbraw/zinc/16/75/90/938167590.db2.gz DYHHWYGZDVQHBQ-GJZGRUSLSA-N 2 1 280.362 3.008 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543232 938167794 /nfs/dbraw/zinc/16/77/94/938167794.db2.gz JTQIPVKGPIPZHA-UPJWGTAASA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543232 938167795 /nfs/dbraw/zinc/16/77/95/938167795.db2.gz JTQIPVKGPIPZHA-UPJWGTAASA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550543232 938167796 /nfs/dbraw/zinc/16/77/96/938167796.db2.gz JTQIPVKGPIPZHA-UPJWGTAASA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550543232 938167797 /nfs/dbraw/zinc/16/77/97/938167797.db2.gz JTQIPVKGPIPZHA-UPJWGTAASA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550541511 938167812 /nfs/dbraw/zinc/16/78/12/938167812.db2.gz YJAMCLYGSXLFBE-BNOWGMLFSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550541511 938167813 /nfs/dbraw/zinc/16/78/13/938167813.db2.gz YJAMCLYGSXLFBE-BNOWGMLFSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550541511 938167814 /nfs/dbraw/zinc/16/78/14/938167814.db2.gz YJAMCLYGSXLFBE-BNOWGMLFSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550541511 938167815 /nfs/dbraw/zinc/16/78/15/938167815.db2.gz YJAMCLYGSXLFBE-BNOWGMLFSA-N 2 1 296.817 3.424 20 0 CGADMP CC[C@H](C)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001559524533 938228705 /nfs/dbraw/zinc/22/87/05/938228705.db2.gz HSUFKWFKNCXWQB-GJZGRUSLSA-N 2 1 254.462 3.473 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3C[C@@H]3C3CC3)CC[NH2+]2)cc1 ZINC001552080844 938189925 /nfs/dbraw/zinc/18/99/25/938189925.db2.gz OSCYUNLFJDQNLG-TVFCKZIOSA-N 2 1 270.420 3.115 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCc3ccc(F)c(F)c32)C1 ZINC001553290931 938197850 /nfs/dbraw/zinc/19/78/50/938197850.db2.gz FTRYBODXOMLZAD-GXTWGEPZSA-N 2 1 294.389 3.320 20 0 CGADMP Cc1ncsc1CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001559568533 938229887 /nfs/dbraw/zinc/22/98/87/938229887.db2.gz ZIDMDIFVPQHEAX-OAHLLOKOSA-N 2 1 295.496 3.190 20 0 CGADMP Cc1ncsc1CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001559568533 938229888 /nfs/dbraw/zinc/22/98/88/938229888.db2.gz ZIDMDIFVPQHEAX-OAHLLOKOSA-N 2 1 295.496 3.190 20 0 CGADMP Cc1ncsc1CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001559568533 938229889 /nfs/dbraw/zinc/22/98/89/938229889.db2.gz ZIDMDIFVPQHEAX-OAHLLOKOSA-N 2 1 295.496 3.190 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](CC)CC2)C1 ZINC001560676413 938269796 /nfs/dbraw/zinc/26/97/96/938269796.db2.gz CAKXKMNEGXCEKZ-HZPDHXFCSA-N 2 1 284.513 3.324 20 0 CGADMP Cc1cc(C)cc(CC[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC001560915961 938283608 /nfs/dbraw/zinc/28/36/08/938283608.db2.gz BBWFVIFYGCVCCQ-UHFFFAOYSA-N 2 1 276.468 3.413 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1 ZINC001561053362 938292417 /nfs/dbraw/zinc/29/24/17/938292417.db2.gz UXWVXSAWJUPFJK-JCHJZTRSSA-N 2 1 286.463 3.246 20 0 CGADMP Cc1ccc(C2([NH2+]C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001257208005 960426009 /nfs/dbraw/zinc/42/60/09/960426009.db2.gz PJWMKPNJZNHVAI-UHFFFAOYSA-N 2 1 272.436 3.447 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001575564982 960468769 /nfs/dbraw/zinc/46/87/69/960468769.db2.gz HANATZOOGOEAKG-LVQVYYBASA-N 2 1 252.446 3.321 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC001574795551 962320458 /nfs/dbraw/zinc/32/04/58/962320458.db2.gz NJOAWZTYEKFTJJ-AEFFLSMTSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)C12CCC2 ZINC001575248006 962352971 /nfs/dbraw/zinc/35/29/71/962352971.db2.gz SKMQGUJAENEINA-HRCADAONSA-N 2 1 294.483 3.235 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC001575422439 962375186 /nfs/dbraw/zinc/37/51/86/962375186.db2.gz JDQABPYPPQIMDU-LESVLKBLSA-N 2 1 278.484 3.366 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cc(N)cc(F)c2)CC1 ZINC001575574458 962396894 /nfs/dbraw/zinc/39/68/94/962396894.db2.gz KGWQFUPLBJBHIG-UHFFFAOYSA-N 2 1 293.430 3.008 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)c1cccc(Cl)c1 ZINC001576004925 962425955 /nfs/dbraw/zinc/42/59/55/962425955.db2.gz IROOWJVMGAFNIX-VNHYZAJKSA-N 2 1 280.843 3.360 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC001576056831 962426184 /nfs/dbraw/zinc/42/61/84/962426184.db2.gz NUNRZGCFQYDDNX-LRDDRELGSA-N 2 1 280.843 3.378 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC001576120607 962441949 /nfs/dbraw/zinc/44/19/49/962441949.db2.gz WUTLPOSGZROPAH-GXSJLCMTSA-N 2 1 295.839 3.119 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC001576120607 962441961 /nfs/dbraw/zinc/44/19/61/962441961.db2.gz WUTLPOSGZROPAH-GXSJLCMTSA-N 2 1 295.839 3.119 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+](C[C@H]([NH3+])CC(F)F)C1CC1 ZINC001576310959 962444789 /nfs/dbraw/zinc/44/47/89/962444789.db2.gz ONDCNQOCLCBDMK-WCQYABFASA-N 2 1 268.351 3.195 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@H]([NH3+])CC(F)F)C1CC1 ZINC001576310959 962444796 /nfs/dbraw/zinc/44/47/96/962444796.db2.gz ONDCNQOCLCBDMK-WCQYABFASA-N 2 1 268.351 3.195 20 0 CGADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC001576457744 962460267 /nfs/dbraw/zinc/46/02/67/962460267.db2.gz KXBJZVSDTZOHIV-INIZCTEOSA-N 2 1 286.463 3.212 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)CC[NH2+]C1 ZINC001576503939 962470123 /nfs/dbraw/zinc/47/01/23/962470123.db2.gz XYMZHHHMRWDEAQ-WBVHZDCISA-N 2 1 292.854 3.347 20 0 CGADMP CC1(C)C[N@@H+](C[C@H]2CCCC[NH2+]C2)Cc2ccccc2O1 ZINC001576457971 962471328 /nfs/dbraw/zinc/47/13/28/962471328.db2.gz RJQLAQXBTNVAPE-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CC1(C)CCCC1)CC[NH2+]CC2 ZINC001576636648 962472881 /nfs/dbraw/zinc/47/28/81/962472881.db2.gz FFHWQDVLHRKHHD-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CCC(F)(F)CC1 ZINC001576747443 962494653 /nfs/dbraw/zinc/49/46/53/962494653.db2.gz ADTKVPWRZPCLNX-HKUMRIAESA-N 2 1 274.399 3.177 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001576915605 962503628 /nfs/dbraw/zinc/50/36/28/962503628.db2.gz XOHVVBFGMGHKIV-JGPFYOFESA-N 2 1 250.430 3.054 20 0 CGADMP CCC1(CC)C[N@@H+](Cc2ccc(C[NH3+])cc2)CCS1 ZINC001577217815 962520501 /nfs/dbraw/zinc/52/05/01/962520501.db2.gz QYWGTDCYSUPOLV-UHFFFAOYSA-N 2 1 278.465 3.253 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC001577463071 962541300 /nfs/dbraw/zinc/54/13/00/962541300.db2.gz JIIBWDIDGFPDKP-JFIYKMOQSA-N 2 1 296.499 3.292 20 0 CGADMP CO[C@@](C)(C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC001578897876 962599235 /nfs/dbraw/zinc/59/92/35/962599235.db2.gz ZMOQGKGTBSCOQS-WMZOPIPTSA-N 2 1 292.467 3.291 20 0 CGADMP CO[C@H](C[N@@H+]1[C@H](C[NH3+])CC[C@@H](C)[C@@H]1C)C1CCCCC1 ZINC001578909077 962600981 /nfs/dbraw/zinc/60/09/81/962600981.db2.gz PLHUVJGEDABAIK-YQFWSFKMSA-N 2 1 282.472 3.029 20 0 CGADMP CO[C@H](C[N@H+]1[C@H](C[NH3+])CC[C@@H](C)[C@@H]1C)C1CCCCC1 ZINC001578909077 962600984 /nfs/dbraw/zinc/60/09/84/962600984.db2.gz PLHUVJGEDABAIK-YQFWSFKMSA-N 2 1 282.472 3.029 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](C[NH3+])C(C)C)cc1 ZINC001579202346 962615118 /nfs/dbraw/zinc/61/51/18/962615118.db2.gz TZJRGPUHAPZZMX-WBVHZDCISA-N 2 1 276.424 3.063 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c(Cl)c1 ZINC001579697158 962656436 /nfs/dbraw/zinc/65/64/36/962656436.db2.gz ZUUANRANJGAXDY-UONOGXRCSA-N 2 1 264.800 3.008 20 0 CGADMP Cc1scc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1C ZINC001579937172 962675521 /nfs/dbraw/zinc/67/55/21/962675521.db2.gz MLPLFMLOAPDHFJ-OAHLLOKOSA-N 2 1 266.454 3.362 20 0 CGADMP Fc1cccc(F)c1CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001580033372 962684316 /nfs/dbraw/zinc/68/43/16/962684316.db2.gz KCNTWCISAYILCH-INIZCTEOSA-N 2 1 294.389 3.162 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001579938940 962686798 /nfs/dbraw/zinc/68/67/98/962686798.db2.gz NZGKFCRWVXWULF-HZPDHXFCSA-N 2 1 292.854 3.204 20 0 CGADMP [NH3+]C[C@@]12C[N@@H+](CCOC3CCCCCC3)C[C@H]1CCCC2 ZINC001580254529 962710127 /nfs/dbraw/zinc/71/01/27/962710127.db2.gz DKKAEFGIRLHVPX-AEFFLSMTSA-N 2 1 294.483 3.177 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C2 ZINC001580335090 962717513 /nfs/dbraw/zinc/71/75/13/962717513.db2.gz YNWCIQKMZGMSHC-YICQSFOJSA-N 2 1 292.373 3.039 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261530 349484665 /nfs/dbraw/zinc/48/46/65/349484665.db2.gz TYZSGHOECQLINT-SWLSCSKDSA-N 2 1 281.831 3.040 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CCC1 ZINC000651242372 398222240 /nfs/dbraw/zinc/22/22/40/398222240.db2.gz BQFWBBHIWMOOEB-GOSISDBHSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2CCC3)C1 ZINC000651646509 398261673 /nfs/dbraw/zinc/26/16/73/398261673.db2.gz GTYKNSAQUPIQRR-MRXNPFEDSA-N 2 1 286.463 3.339 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000337682847 214213692 /nfs/dbraw/zinc/21/36/92/214213692.db2.gz NZSWZWWDYVRFBF-UHFFFAOYSA-N 2 1 294.414 3.009 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1csc3ccccc13)C2 ZINC000621782119 349585318 /nfs/dbraw/zinc/58/53/18/349585318.db2.gz MQXLSWKTHGJQSD-XJKSGUPXSA-N 2 1 272.417 3.215 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1csc3ccccc13)C2 ZINC000621782119 349585322 /nfs/dbraw/zinc/58/53/22/349585322.db2.gz MQXLSWKTHGJQSD-XJKSGUPXSA-N 2 1 272.417 3.215 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000590302542 346841588 /nfs/dbraw/zinc/84/15/88/346841588.db2.gz NRAXWGRUJPFBES-UHFFFAOYSA-N 2 1 288.439 3.165 20 0 CGADMP COc1ccc2cc(C[N@@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)ccc2c1 ZINC000622005327 349620727 /nfs/dbraw/zinc/62/07/27/349620727.db2.gz BMLXBTNZEIEOAD-HKUYNNGSSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)ccc2c1 ZINC000622005327 349620731 /nfs/dbraw/zinc/62/07/31/349620731.db2.gz BMLXBTNZEIEOAD-HKUYNNGSSA-N 2 1 296.414 3.162 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cc3ccccc3s1)C2 ZINC000622003452 349620811 /nfs/dbraw/zinc/62/08/11/349620811.db2.gz ADFLNPAZWHQNPI-CZUORRHYSA-N 2 1 272.417 3.215 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3ccccc3s1)C2 ZINC000622003452 349620816 /nfs/dbraw/zinc/62/08/16/349620816.db2.gz ADFLNPAZWHQNPI-CZUORRHYSA-N 2 1 272.417 3.215 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337993728 214349780 /nfs/dbraw/zinc/34/97/80/214349780.db2.gz SWHLMHXWLNOIMN-MSOLQXFVSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000337998562 214353497 /nfs/dbraw/zinc/35/34/97/214353497.db2.gz VHJPXHONXXYBJJ-HYVNUMGLSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273122739 192050059 /nfs/dbraw/zinc/05/00/59/192050059.db2.gz YIAUSRAIHPPPQL-CQSZACIVSA-N 2 1 276.424 3.139 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000590786382 346876016 /nfs/dbraw/zinc/87/60/16/346876016.db2.gz UUQXDGVAGYJLIW-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423476976 529453428 /nfs/dbraw/zinc/45/34/28/529453428.db2.gz SZFATZQUGLOATA-JQWIXIFHSA-N 2 1 290.329 3.016 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000414201075 529605521 /nfs/dbraw/zinc/60/55/21/529605521.db2.gz YBMNBMAVSAQHCH-QAPCUYQASA-N 2 1 290.451 3.468 20 0 CGADMP COc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1Cl ZINC000623342806 349783703 /nfs/dbraw/zinc/78/37/03/349783703.db2.gz PIFOUJARXLOGQU-UHFFFAOYSA-N 2 1 296.842 3.314 20 0 CGADMP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423344358 529622614 /nfs/dbraw/zinc/62/26/14/529622614.db2.gz XXEWPOXCIZXDEO-JKSUJKDBSA-N 2 1 282.378 3.395 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)CC1(C)C ZINC000623336432 349780890 /nfs/dbraw/zinc/78/08/90/349780890.db2.gz NQOMZJMMCJFYAY-HNNXBMFYSA-N 2 1 285.435 3.173 20 0 CGADMP C[N@H+]1CC[C@H](NCc2ccc(Cl)cc2)CC1(C)C ZINC000623337317 349781827 /nfs/dbraw/zinc/78/18/27/349781827.db2.gz DQVUFABFRPIUIX-AWEZNQCLSA-N 2 1 266.816 3.302 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)CC1(C)C ZINC000623337317 349781828 /nfs/dbraw/zinc/78/18/28/349781828.db2.gz DQVUFABFRPIUIX-AWEZNQCLSA-N 2 1 266.816 3.302 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2)CC1(C)C ZINC000623338920 349783034 /nfs/dbraw/zinc/78/30/34/349783034.db2.gz AWEYSUFSKRZOSY-OAHLLOKOSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423344356 529616718 /nfs/dbraw/zinc/61/67/18/529616718.db2.gz XXEWPOXCIZXDEO-HOTGVXAUSA-N 2 1 282.378 3.395 20 0 CGADMP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423324710 529617094 /nfs/dbraw/zinc/61/70/94/529617094.db2.gz IWRAPFRWTNEIGB-HOTGVXAUSA-N 2 1 282.378 3.395 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623372318 349792330 /nfs/dbraw/zinc/79/23/30/349792330.db2.gz ORLDVRPNOJLCED-UKRRQHHQSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423279039 529654580 /nfs/dbraw/zinc/65/45/80/529654580.db2.gz QXJAJQPKOHOBFV-UWVGGRQHSA-N 2 1 258.818 3.180 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000623417543 349803844 /nfs/dbraw/zinc/80/38/44/349803844.db2.gz BVQQFCAIRQDRTA-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000414182465 529706594 /nfs/dbraw/zinc/70/65/94/529706594.db2.gz NHIFKHVPXFXGMQ-KGLIPLIRSA-N 2 1 264.413 3.225 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623429531 349806789 /nfs/dbraw/zinc/80/67/89/349806789.db2.gz HYQLITGVMRWYMH-ZFWWWQNUSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C2CCCCC2)CC1(C)C ZINC000623430838 349806847 /nfs/dbraw/zinc/80/68/47/349806847.db2.gz HZEFUBJNEQYZNQ-XHSDSOJGSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432820 349808938 /nfs/dbraw/zinc/80/89/38/349808938.db2.gz LNALJFCAERZONG-UKRRQHHQSA-N 2 1 294.414 3.055 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623503021 349821435 /nfs/dbraw/zinc/82/14/35/349821435.db2.gz JEOSASXFCCODAD-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)CC1(C)C ZINC000623503083 349822672 /nfs/dbraw/zinc/82/26/72/349822672.db2.gz LDEJWPSFHGLVJY-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](C[NH2+]Cc1ccsc1C(F)(F)F)C[NH+](C)C ZINC000623530021 349827632 /nfs/dbraw/zinc/82/76/32/349827632.db2.gz JFTPTIQGSKNNLO-SECBINFHSA-N 2 1 280.359 3.054 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)CC1(C)C ZINC000623544819 349829966 /nfs/dbraw/zinc/82/99/66/349829966.db2.gz MHNZIQNLISHTGF-LSDHHAIUSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccnc3ccccc23)CC1(C)C ZINC000623564306 349835783 /nfs/dbraw/zinc/83/57/83/349835783.db2.gz YZJMFGKOOIUQAD-MRXNPFEDSA-N 2 1 297.446 3.240 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351502068 219107820 /nfs/dbraw/zinc/10/78/20/219107820.db2.gz ZDHLJEKPMFNCHI-BVUBDWEXSA-N 2 1 297.402 3.072 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351502068 219107821 /nfs/dbraw/zinc/10/78/21/219107821.db2.gz ZDHLJEKPMFNCHI-BVUBDWEXSA-N 2 1 297.402 3.072 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000623657384 349860060 /nfs/dbraw/zinc/86/00/60/349860060.db2.gz PKAKDCRKNICCFI-KXQLTZBTSA-N 2 1 294.389 3.300 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)o1 ZINC000623655994 349856472 /nfs/dbraw/zinc/85/64/72/349856472.db2.gz KPGCDELDZZRPBS-IIAWOOMASA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000623655994 349856479 /nfs/dbraw/zinc/85/64/79/349856479.db2.gz KPGCDELDZZRPBS-IIAWOOMASA-N 2 1 276.424 3.225 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000623656368 349858260 /nfs/dbraw/zinc/85/82/60/349858260.db2.gz SSLSUKVECZEBDJ-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000127216110 187290608 /nfs/dbraw/zinc/29/06/08/187290608.db2.gz OCUUHTXLQMWBNC-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP C[NH2+]CC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000423228519 529978795 /nfs/dbraw/zinc/97/87/95/529978795.db2.gz ZXWUHYRNKXWHOP-OAHLLOKOSA-N 2 1 268.404 3.016 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423256359 529998673 /nfs/dbraw/zinc/99/86/73/529998673.db2.gz BQQRGLNJRNOKHH-HNNXBMFYSA-N 3 1 297.531 3.111 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC12CC2 ZINC000424186714 529998992 /nfs/dbraw/zinc/99/89/92/529998992.db2.gz TVCDIYZCBSXOJZ-MRXNPFEDSA-N 2 1 272.436 3.287 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000423275842 529999405 /nfs/dbraw/zinc/99/94/05/529999405.db2.gz NRSJAHLNGMXCCL-XHDPSFHLSA-N 2 1 270.367 3.107 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000423275841 529999670 /nfs/dbraw/zinc/99/96/70/529999670.db2.gz NRSJAHLNGMXCCL-NHYWBVRUSA-N 2 1 270.367 3.107 20 0 CGADMP CCCO[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000351602330 219141240 /nfs/dbraw/zinc/14/12/40/219141240.db2.gz YNJILHPRKQVFPD-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP CCCO[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351602330 219141244 /nfs/dbraw/zinc/14/12/44/219141244.db2.gz YNJILHPRKQVFPD-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP CCCO[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351602330 219141246 /nfs/dbraw/zinc/14/12/46/219141246.db2.gz YNJILHPRKQVFPD-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC23CCC(CC2)C3)C1 ZINC000450456861 282388890 /nfs/dbraw/zinc/38/88/90/282388890.db2.gz ZDILQGFVEXADPG-NXYGQSRBSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000450456861 282388891 /nfs/dbraw/zinc/38/88/91/282388891.db2.gz ZDILQGFVEXADPG-NXYGQSRBSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450456861 282388892 /nfs/dbraw/zinc/38/88/92/282388892.db2.gz ZDILQGFVEXADPG-NXYGQSRBSA-N 2 1 276.468 3.230 20 0 CGADMP CCC[C@@H](CC)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000125339886 346016842 /nfs/dbraw/zinc/01/68/42/346016842.db2.gz NRWNRLUZPDFWLR-OWCLPIDISA-N 2 1 270.461 3.044 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1[NH3+] ZINC000139336854 346099996 /nfs/dbraw/zinc/09/99/96/346099996.db2.gz BNTNFXLWGHDVEV-FZMZJTMJSA-N 2 1 260.406 3.070 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250873323 346386601 /nfs/dbraw/zinc/38/66/01/346386601.db2.gz MHXJETCRVBJQIU-ZIAGYGMSSA-N 2 1 264.438 3.163 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250873323 346386605 /nfs/dbraw/zinc/38/66/05/346386605.db2.gz MHXJETCRVBJQIU-ZIAGYGMSSA-N 2 1 264.438 3.163 20 0 CGADMP CC[C@H](C[NH2+]C[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000262248515 346403787 /nfs/dbraw/zinc/40/37/87/346403787.db2.gz PXAXQHPQVVGFBF-DOTOQJQBSA-N 2 1 260.425 3.254 20 0 CGADMP CCOC1CC(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000351722129 219187332 /nfs/dbraw/zinc/18/73/32/219187332.db2.gz VBKNOUMAEPDPLN-UERKLNTKSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1sc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nc1C(C)C ZINC000422714496 282477971 /nfs/dbraw/zinc/47/79/71/282477971.db2.gz RDJGVCOTGVJDLX-STQMWFEESA-N 2 1 281.469 3.182 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000313404740 346479986 /nfs/dbraw/zinc/47/99/86/346479986.db2.gz ZDCIULKFPUPILR-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119650 349975269 /nfs/dbraw/zinc/97/52/69/349975269.db2.gz GQXJHSCJYZXSHR-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624119650 349975271 /nfs/dbraw/zinc/97/52/71/349975271.db2.gz GQXJHSCJYZXSHR-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119650 349975273 /nfs/dbraw/zinc/97/52/73/349975273.db2.gz GQXJHSCJYZXSHR-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119652 349975363 /nfs/dbraw/zinc/97/53/63/349975363.db2.gz GQXJHSCJYZXSHR-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624119652 349975366 /nfs/dbraw/zinc/97/53/66/349975366.db2.gz GQXJHSCJYZXSHR-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119652 349975369 /nfs/dbraw/zinc/97/53/69/349975369.db2.gz GQXJHSCJYZXSHR-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000401663197 346592069 /nfs/dbraw/zinc/59/20/69/346592069.db2.gz GEBBNUALNHFLDE-UHFFFAOYSA-N 2 1 284.190 3.059 20 0 CGADMP Cc1ccnc([C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000583508436 346680109 /nfs/dbraw/zinc/68/01/09/346680109.db2.gz KOAMXYLYMPOPNT-IRXDYDNUSA-N 2 1 287.451 3.054 20 0 CGADMP Cc1ccnc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000583508436 346680114 /nfs/dbraw/zinc/68/01/14/346680114.db2.gz KOAMXYLYMPOPNT-IRXDYDNUSA-N 2 1 287.451 3.054 20 0 CGADMP Cc1ccnc([C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000583508436 346680116 /nfs/dbraw/zinc/68/01/16/346680116.db2.gz KOAMXYLYMPOPNT-IRXDYDNUSA-N 2 1 287.451 3.054 20 0 CGADMP C[C@@H](CSCCF)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000595016722 347258231 /nfs/dbraw/zinc/25/82/31/347258231.db2.gz VUSJXWIBGSZOOD-ZFWWWQNUSA-N 2 1 290.492 3.178 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624119707 349976654 /nfs/dbraw/zinc/97/66/54/349976654.db2.gz HNENKWPLUYQBRA-WBVHZDCISA-N 2 1 260.425 3.459 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121659 349979783 /nfs/dbraw/zinc/97/97/83/349979783.db2.gz ALOIKPYEBMFOIG-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP CCSCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728015 348019588 /nfs/dbraw/zinc/01/95/88/348019588.db2.gz HDZHAKQDDOKZMS-RDJZCZTQSA-N 2 1 292.492 3.097 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120694 349978277 /nfs/dbraw/zinc/97/82/77/349978277.db2.gz FGRVLAKESUTITB-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000624122074 349980516 /nfs/dbraw/zinc/98/05/16/349980516.db2.gz JESBQDSLNDQZDR-ZLPCBKJTSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000624121655 349980676 /nfs/dbraw/zinc/98/06/76/349980676.db2.gz AJNCRGGPKIFHHM-HKUYNNGSSA-N 2 1 286.463 3.329 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000624123181 349982989 /nfs/dbraw/zinc/98/29/89/349982989.db2.gz HIIQYEIYLYWLBH-IYXRBSQSSA-N 2 1 274.399 3.132 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1F ZINC000339408395 215151532 /nfs/dbraw/zinc/15/15/32/215151532.db2.gz HEFBFKRGPKBYGX-OAHLLOKOSA-N 2 1 282.403 3.030 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000339409117 215151749 /nfs/dbraw/zinc/15/17/49/215151749.db2.gz XAMZEDMPDJTHMF-QGZVFWFLSA-N 2 1 278.440 3.063 20 0 CGADMP Cc1nc2ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc2s1 ZINC000339411256 215154654 /nfs/dbraw/zinc/15/46/54/215154654.db2.gz XJMCQJBGKYVTSM-AWEZNQCLSA-N 2 1 291.464 3.410 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000624123216 349983431 /nfs/dbraw/zinc/98/34/31/349983431.db2.gz IEAVBGNIEHHVEY-PBHICJAKSA-N 2 1 288.435 3.091 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339431183 215164264 /nfs/dbraw/zinc/16/42/64/215164264.db2.gz VVYODMKSNCBVDC-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339431183 215164268 /nfs/dbraw/zinc/16/42/68/215164268.db2.gz VVYODMKSNCBVDC-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339431183 215164270 /nfs/dbraw/zinc/16/42/70/215164270.db2.gz VVYODMKSNCBVDC-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339431183 215164273 /nfs/dbraw/zinc/16/42/73/215164273.db2.gz VVYODMKSNCBVDC-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000608061547 348280566 /nfs/dbraw/zinc/28/05/66/348280566.db2.gz JZJHYEHURXWCSJ-ZTMPEJBFSA-N 2 1 258.409 3.162 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCSc2ccccc2)CC[N@H+]1C ZINC000358086772 233055807 /nfs/dbraw/zinc/05/58/07/233055807.db2.gz OSUYEZWXRRRAFC-GJZGRUSLSA-N 2 1 278.465 3.241 20 0 CGADMP COC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358192030 233077460 /nfs/dbraw/zinc/07/74/60/233077460.db2.gz PQXIUVFQCAOFFP-WBVHZDCISA-N 2 1 290.451 3.054 20 0 CGADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358192030 233077463 /nfs/dbraw/zinc/07/74/63/233077463.db2.gz PQXIUVFQCAOFFP-WBVHZDCISA-N 2 1 290.451 3.054 20 0 CGADMP C[C@@H](F)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000352006106 219286137 /nfs/dbraw/zinc/28/61/37/219286137.db2.gz SRLLIDOZJYWOBL-CVEARBPZSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000358452280 233135517 /nfs/dbraw/zinc/13/55/17/233135517.db2.gz PEWSNIMVIXFELH-CHWSQXEVSA-N 2 1 298.377 3.233 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000358452280 233135519 /nfs/dbraw/zinc/13/55/19/233135519.db2.gz PEWSNIMVIXFELH-CHWSQXEVSA-N 2 1 298.377 3.233 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)CC[N@H+]1C ZINC000624267609 350014764 /nfs/dbraw/zinc/01/47/64/350014764.db2.gz SRPLSKBNPFETJB-CRAIPNDOSA-N 2 1 295.430 3.321 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000625265001 350150119 /nfs/dbraw/zinc/15/01/19/350150119.db2.gz PBVCTEXHHFWJLG-XWTMOSNGSA-N 2 1 296.499 3.386 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+](CCn3ccnc3)C2)cc1F ZINC000625658420 350193396 /nfs/dbraw/zinc/19/33/96/350193396.db2.gz YYISUDZIGHMBEF-CQSZACIVSA-N 2 1 291.345 3.041 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC[C@H](C)O1 ZINC000626063002 350254648 /nfs/dbraw/zinc/25/46/48/350254648.db2.gz NZJXFNSIFLZROT-MAUKXSAKSA-N 2 1 290.451 3.138 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@]2(C)CCCS2)CC1 ZINC000628149027 350411345 /nfs/dbraw/zinc/41/13/45/350411345.db2.gz JXIASFZZGOHGNG-HNNXBMFYSA-N 2 1 270.486 3.078 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628186719 350430266 /nfs/dbraw/zinc/43/02/66/350430266.db2.gz UNMNNDPFOHVZQG-QGZVFWFLSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628186719 350430268 /nfs/dbraw/zinc/43/02/68/350430268.db2.gz UNMNNDPFOHVZQG-QGZVFWFLSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628186719 350430271 /nfs/dbraw/zinc/43/02/71/350430271.db2.gz UNMNNDPFOHVZQG-QGZVFWFLSA-N 2 1 297.446 3.332 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000628214921 350444556 /nfs/dbraw/zinc/44/45/56/350444556.db2.gz RMGCKSOIJDIBFJ-HOTGVXAUSA-N 2 1 260.425 3.030 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000628235000 350456430 /nfs/dbraw/zinc/45/64/30/350456430.db2.gz VJXDYVDPXIYHGL-VQHPVUNQSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000628235000 350456434 /nfs/dbraw/zinc/45/64/34/350456434.db2.gz VJXDYVDPXIYHGL-VQHPVUNQSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000628235000 350456437 /nfs/dbraw/zinc/45/64/37/350456437.db2.gz VJXDYVDPXIYHGL-VQHPVUNQSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000628235000 350456440 /nfs/dbraw/zinc/45/64/40/350456440.db2.gz VJXDYVDPXIYHGL-VQHPVUNQSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000628292795 350481673 /nfs/dbraw/zinc/48/16/73/350481673.db2.gz UVEGQTCVKMXFQA-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000628292795 350481677 /nfs/dbraw/zinc/48/16/77/350481677.db2.gz UVEGQTCVKMXFQA-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000628292795 350481681 /nfs/dbraw/zinc/48/16/81/350481681.db2.gz UVEGQTCVKMXFQA-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628425139 350535667 /nfs/dbraw/zinc/53/56/67/350535667.db2.gz BJIMKRBYLVFIDB-SJORKVTESA-N 2 1 274.452 3.420 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629539580 350706694 /nfs/dbraw/zinc/70/66/94/350706694.db2.gz QVYNFLYWUSYHFP-XSLAGTTESA-N 2 1 296.499 3.421 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C[NH2+]1 ZINC000629543110 350708228 /nfs/dbraw/zinc/70/82/28/350708228.db2.gz TVCZOBCKSOFJOH-IWCQGFGOSA-N 2 1 272.436 3.299 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)CC3 ZINC000629542785 350708381 /nfs/dbraw/zinc/70/83/81/350708381.db2.gz LPZWPJMDPJCNNL-ZNMIVQPWSA-N 2 1 297.446 3.064 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585329 350714583 /nfs/dbraw/zinc/71/45/83/350714583.db2.gz RPHRUVAARLUKMJ-YESZJQIVSA-N 2 1 258.409 3.069 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000629390076 350687604 /nfs/dbraw/zinc/68/76/04/350687604.db2.gz IRNCXOCQXCUAMI-BYCMXARLSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H]([NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C)c1c[nH+]ccc1N ZINC000629515255 350699554 /nfs/dbraw/zinc/69/95/54/350699554.db2.gz RENGAMTUXBWKNW-CSMYWGQOSA-N 2 1 281.403 3.337 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000629514482 350699758 /nfs/dbraw/zinc/69/97/58/350699758.db2.gz MIULLZNERIBRMC-IJEWVQPXSA-N 2 1 294.826 3.063 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656225 350731084 /nfs/dbraw/zinc/73/10/84/350731084.db2.gz NCMSXUQJRZZSSY-QWRGUYRKSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656225 350731091 /nfs/dbraw/zinc/73/10/91/350731091.db2.gz NCMSXUQJRZZSSY-QWRGUYRKSA-N 2 1 292.370 3.016 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000629660107 350732743 /nfs/dbraw/zinc/73/27/43/350732743.db2.gz NULMUVSWHWJWBA-ZOWXZIJZSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@@]1(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]C1 ZINC000629665074 350733466 /nfs/dbraw/zinc/73/34/66/350733466.db2.gz NGNGAQZDDJLLDY-OAHLLOKOSA-N 2 1 298.352 3.063 20 0 CGADMP C[C@@]1(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]C1 ZINC000629665074 350733467 /nfs/dbraw/zinc/73/34/67/350733467.db2.gz NGNGAQZDDJLLDY-OAHLLOKOSA-N 2 1 298.352 3.063 20 0 CGADMP CC(C)C[C@@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629671826 350733840 /nfs/dbraw/zinc/73/38/40/350733840.db2.gz IALPVVHRFRBHPB-BHYGNILZSA-N 2 1 260.425 3.156 20 0 CGADMP Cc1scc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000631055934 350938778 /nfs/dbraw/zinc/93/87/78/350938778.db2.gz ICMFIZPYIYTTLC-AWEZNQCLSA-N 2 1 266.454 3.185 20 0 CGADMP c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CCC2 ZINC000631586264 351079636 /nfs/dbraw/zinc/07/96/36/351079636.db2.gz XOBJGDTYRCKDOI-LJQANCHMSA-N 2 1 299.462 3.456 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)[C@@H]1CCC[NH3+] ZINC000631829681 351149305 /nfs/dbraw/zinc/14/93/05/351149305.db2.gz XKVNGTPTYOGNNE-MGPQQGTHSA-N 2 1 274.399 3.261 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631890604 351153220 /nfs/dbraw/zinc/15/32/20/351153220.db2.gz TURHWQCSPMMTQD-CABCVRRESA-N 2 1 280.362 3.198 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631891356 351153237 /nfs/dbraw/zinc/15/32/37/351153237.db2.gz YBAAVPHJDILKNU-GOEBONIOSA-N 2 1 270.376 3.007 20 0 CGADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000631738410 351132462 /nfs/dbraw/zinc/13/24/62/351132462.db2.gz LORMZBHYEDBIQI-DTZQCDIJSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000634678356 351563911 /nfs/dbraw/zinc/56/39/11/351563911.db2.gz QEVHKHFLHJQQPG-IAGOWNOFSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679664 351565228 /nfs/dbraw/zinc/56/52/28/351565228.db2.gz BEVSXTHZWZIWAZ-HZPDHXFCSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679664 351565229 /nfs/dbraw/zinc/56/52/29/351565229.db2.gz BEVSXTHZWZIWAZ-HZPDHXFCSA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634679761 351565838 /nfs/dbraw/zinc/56/58/38/351565838.db2.gz CSHVJWXWSXRYIA-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634679761 351565842 /nfs/dbraw/zinc/56/58/42/351565842.db2.gz CSHVJWXWSXRYIA-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccon2)C[N@H+]1Cc1ccccc1 ZINC000634972721 351613122 /nfs/dbraw/zinc/61/31/22/351613122.db2.gz FNUDROLORQESMS-NVXWUHKLSA-N 2 1 299.418 3.065 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1C ZINC000635020124 351632844 /nfs/dbraw/zinc/63/28/44/351632844.db2.gz JVUDVZXJOFIPQA-KGLIPLIRSA-N 2 1 252.427 3.115 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(F)c1F ZINC000635009510 351627391 /nfs/dbraw/zinc/62/73/91/351627391.db2.gz HPJPNPGPYFHDPC-NWDGAFQWSA-N 2 1 282.378 3.394 20 0 CGADMP Cc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(C)s1 ZINC000123371469 187087778 /nfs/dbraw/zinc/08/77/78/187087778.db2.gz JMUNDNUXCLOEEO-UHFFFAOYSA-N 2 1 278.465 3.329 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000271491553 191170667 /nfs/dbraw/zinc/17/06/67/191170667.db2.gz UNRCZOOHANZIBO-INMHGKMJSA-N 2 1 289.467 3.409 20 0 CGADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000365631414 234118688 /nfs/dbraw/zinc/11/86/88/234118688.db2.gz QSBMTGLSMUKBJQ-LBPRGKRZSA-N 2 1 291.345 3.078 20 0 CGADMP Cn1ccnc1[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000365631414 234118691 /nfs/dbraw/zinc/11/86/91/234118691.db2.gz QSBMTGLSMUKBJQ-LBPRGKRZSA-N 2 1 291.345 3.078 20 0 CGADMP Cc1cscc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367613449 234232295 /nfs/dbraw/zinc/23/22/95/234232295.db2.gz COOYERNALZIKMO-RRFJBIMHSA-N 2 1 264.438 3.019 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292257154 198220939 /nfs/dbraw/zinc/22/09/39/198220939.db2.gz YGXDQQVNKHHVBI-GOSISDBHSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292257154 198220941 /nfs/dbraw/zinc/22/09/41/198220941.db2.gz YGXDQQVNKHHVBI-GOSISDBHSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292257154 198220942 /nfs/dbraw/zinc/22/09/42/198220942.db2.gz YGXDQQVNKHHVBI-GOSISDBHSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292257154 198220943 /nfs/dbraw/zinc/22/09/43/198220943.db2.gz YGXDQQVNKHHVBI-GOSISDBHSA-N 2 1 288.435 3.001 20 0 CGADMP c1coc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000367958987 234263814 /nfs/dbraw/zinc/26/38/14/234263814.db2.gz FLLAWXUIRNBZKH-ZWKOTPCHSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000367958987 234263816 /nfs/dbraw/zinc/26/38/16/234263816.db2.gz FLLAWXUIRNBZKH-ZWKOTPCHSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000367958987 234263817 /nfs/dbraw/zinc/26/38/17/234263817.db2.gz FLLAWXUIRNBZKH-ZWKOTPCHSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000367958987 234263818 /nfs/dbraw/zinc/26/38/18/234263818.db2.gz FLLAWXUIRNBZKH-ZWKOTPCHSA-N 2 1 296.414 3.234 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000368099582 234281233 /nfs/dbraw/zinc/28/12/33/234281233.db2.gz GFKJXPBKTRMDEI-GJYPPUQNSA-N 2 1 295.430 3.367 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)c1ccccc1 ZINC000152377711 188013646 /nfs/dbraw/zinc/01/36/46/188013646.db2.gz NDAWSVJWAIWQFH-HOTGVXAUSA-N 2 1 286.463 3.427 20 0 CGADMP c1ccc(C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000152377365 188013903 /nfs/dbraw/zinc/01/39/03/188013903.db2.gz ZQFJFIIYXQYOBR-VQIMIIECSA-N 2 1 284.447 3.082 20 0 CGADMP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000155947297 188237310 /nfs/dbraw/zinc/23/73/10/188237310.db2.gz GFPSKLLBLUTZHT-KSZLIROESA-N 2 1 270.420 3.354 20 0 CGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000423489500 282949546 /nfs/dbraw/zinc/94/95/46/282949546.db2.gz XGPIOTRXTNYJNP-ZIAGYGMSSA-N 2 1 286.410 3.324 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000271799967 191334875 /nfs/dbraw/zinc/33/48/75/191334875.db2.gz PDSDHWJWOAQLMD-NSHDSACASA-N 2 1 279.334 3.211 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)c1 ZINC000414073008 235329073 /nfs/dbraw/zinc/32/90/73/235329073.db2.gz VLLOHHJFXAOEOG-OAHLLOKOSA-N 2 1 278.440 3.385 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000414097654 235334992 /nfs/dbraw/zinc/33/49/92/235334992.db2.gz IJZZSXPXEQDEMJ-ILXRZTDVSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000414097654 235334993 /nfs/dbraw/zinc/33/49/93/235334993.db2.gz IJZZSXPXEQDEMJ-ILXRZTDVSA-N 2 1 276.424 3.137 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414194244 235361053 /nfs/dbraw/zinc/36/10/53/235361053.db2.gz UNPQVBQVPWEJFR-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1occc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000414297136 235382192 /nfs/dbraw/zinc/38/21/92/235382192.db2.gz YIDMBBBKSAXKKE-CQSZACIVSA-N 2 1 264.413 3.332 20 0 CGADMP Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093491576 138346663 /nfs/dbraw/zinc/34/66/63/138346663.db2.gz MESJPUDYDLQLHB-BHYGNILZSA-N 2 1 294.389 3.365 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000106163060 138353740 /nfs/dbraw/zinc/35/37/40/138353740.db2.gz DLVHTKLTWRXTOW-UHFFFAOYSA-N 2 1 297.446 3.492 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868674 138356334 /nfs/dbraw/zinc/35/63/34/138356334.db2.gz VTBWZULORUNNIZ-LSDHHAIUSA-N 2 1 264.800 3.056 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868674 138356335 /nfs/dbraw/zinc/35/63/35/138356335.db2.gz VTBWZULORUNNIZ-LSDHHAIUSA-N 2 1 264.800 3.056 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCn2ccnc2C)C1 ZINC000125299621 138381285 /nfs/dbraw/zinc/38/12/85/138381285.db2.gz AXEMZAYEJZKDFI-HUUCEWRRSA-N 2 1 281.469 3.188 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000125299621 138381286 /nfs/dbraw/zinc/38/12/86/138381286.db2.gz AXEMZAYEJZKDFI-HUUCEWRRSA-N 2 1 281.469 3.188 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000125299621 138381287 /nfs/dbraw/zinc/38/12/87/138381287.db2.gz AXEMZAYEJZKDFI-HUUCEWRRSA-N 2 1 281.469 3.188 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCCn2ccnc2C)o1 ZINC000125447202 138382587 /nfs/dbraw/zinc/38/25/87/138382587.db2.gz SOQRNJZGVPWLTG-UHFFFAOYSA-N 2 1 261.369 3.005 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)o1 ZINC000125447202 138382589 /nfs/dbraw/zinc/38/25/89/138382589.db2.gz SOQRNJZGVPWLTG-UHFFFAOYSA-N 2 1 261.369 3.005 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423301806 236030371 /nfs/dbraw/zinc/03/03/71/236030371.db2.gz GOBJQCBLPWSSKF-VXGBXAGGSA-N 2 1 275.421 3.056 20 0 CGADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1SC ZINC000423273361 236017300 /nfs/dbraw/zinc/01/73/00/236017300.db2.gz KKRCEFUSTBNQCE-AAEUAGOBSA-N 2 1 282.453 3.051 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423334044 236042019 /nfs/dbraw/zinc/04/20/19/236042019.db2.gz QIARZOWBVSYBOJ-RHSMWYFYSA-N 2 1 276.424 3.126 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423336953 236043423 /nfs/dbraw/zinc/04/34/23/236043423.db2.gz UWOSEYZZUSOWJV-KYOSRNDESA-N 2 1 266.816 3.303 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423306057 236032230 /nfs/dbraw/zinc/03/22/30/236032230.db2.gz LCRMEYWXGHCVFM-ACJLOTCBSA-N 2 1 295.386 3.102 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cs1 ZINC000423495000 236086063 /nfs/dbraw/zinc/08/60/63/236086063.db2.gz BGFJLTZNWSXFBV-SMDDNHRTSA-N 2 1 252.427 3.225 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000261560312 283289945 /nfs/dbraw/zinc/28/99/45/283289945.db2.gz FGGTXWPPFNSXDG-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)C2CCC2)o1 ZINC000423549555 236097271 /nfs/dbraw/zinc/09/72/71/236097271.db2.gz HSFGWXWFVSVPNZ-INIZCTEOSA-N 2 1 262.397 3.161 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]3C3CCC3)CC[NH2+]2)cc1 ZINC000424373214 236157948 /nfs/dbraw/zinc/15/79/48/236157948.db2.gz JDIZWPZLABWTQZ-XLAORIBOSA-N 2 1 270.420 3.258 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)c(F)cc1F)CC[NH2+]CC2 ZINC000424389037 236159285 /nfs/dbraw/zinc/15/92/85/236159285.db2.gz ZVKYKHPHEGIARB-NSHDSACASA-N 2 1 298.352 3.068 20 0 CGADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424298348 236144304 /nfs/dbraw/zinc/14/43/04/236144304.db2.gz UMBIIMZMKFLIOR-ZIAGYGMSSA-N 2 1 297.240 3.117 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3ccoc32)CC[N@@H+]1C ZINC000336226997 213055363 /nfs/dbraw/zinc/05/53/63/213055363.db2.gz AYWFEWRBYQNMJV-CJNGLKHVSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3ccoc32)CC[N@H+]1C ZINC000336226997 213055365 /nfs/dbraw/zinc/05/53/65/213055365.db2.gz AYWFEWRBYQNMJV-CJNGLKHVSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3ccoc32)CC[NH+]1C ZINC000336226997 213055367 /nfs/dbraw/zinc/05/53/67/213055367.db2.gz AYWFEWRBYQNMJV-CJNGLKHVSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccoc32)CC[NH+]1C ZINC000336226997 213055370 /nfs/dbraw/zinc/05/53/70/213055370.db2.gz AYWFEWRBYQNMJV-CJNGLKHVSA-N 2 1 272.392 3.347 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000312015709 138584942 /nfs/dbraw/zinc/58/49/42/138584942.db2.gz VEHNCGJWLJZSOT-LSDHHAIUSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000156462389 299290663 /nfs/dbraw/zinc/29/06/63/299290663.db2.gz ZZSFAQZFMDMBNY-BBWFWOEESA-N 2 1 289.467 3.490 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc[nH]c1 ZINC000177848474 189074230 /nfs/dbraw/zinc/07/42/30/189074230.db2.gz PVIDIUZNASANRE-MCPYQZEQSA-N 2 1 297.446 3.261 20 0 CGADMP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000177887742 189076368 /nfs/dbraw/zinc/07/63/68/189076368.db2.gz WSTREONORZGMRT-YESZJQIVSA-N 2 1 290.451 3.001 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000177892366 189077250 /nfs/dbraw/zinc/07/72/50/189077250.db2.gz LVEBKVSRUOIENK-WZRBSPASSA-N 2 1 286.872 3.262 20 0 CGADMP Cc1ccc(SCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000178380377 189111533 /nfs/dbraw/zinc/11/15/33/189111533.db2.gz PZTXMZXJIWLLOJ-ZOBUZTSGSA-N 2 1 292.492 3.405 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCC1 ZINC000178619881 189131621 /nfs/dbraw/zinc/13/16/21/189131621.db2.gz XHCINXDKPORZBE-SJLPKXTDSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC000178694980 189138142 /nfs/dbraw/zinc/13/81/42/189138142.db2.gz FMYOTVWZWYIYPM-CHWSQXEVSA-N 2 1 275.371 3.318 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000178699575 189138188 /nfs/dbraw/zinc/13/81/88/189138188.db2.gz PKGQADNFTSVXSR-SUNYJGFJSA-N 2 1 283.419 3.351 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC000178694938 189138366 /nfs/dbraw/zinc/13/83/66/189138366.db2.gz FMYOTVWZWYIYPM-STQMWFEESA-N 2 1 275.371 3.318 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000178786152 189145957 /nfs/dbraw/zinc/14/59/57/189145957.db2.gz UAIYPIOOAOHRIB-LLVKDONJSA-N 2 1 292.452 3.396 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000179635692 189209003 /nfs/dbraw/zinc/20/90/03/189209003.db2.gz WEVKJXFJDIYFGF-CYBMUJFWSA-N 2 1 280.481 3.429 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000179635692 189209004 /nfs/dbraw/zinc/20/90/04/189209004.db2.gz WEVKJXFJDIYFGF-CYBMUJFWSA-N 2 1 280.481 3.429 20 0 CGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000180460665 189256478 /nfs/dbraw/zinc/25/64/78/189256478.db2.gz BMPPMKCLXICGSG-GOEBONIOSA-N 2 1 290.451 3.045 20 0 CGADMP Cc1cc[nH+]c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000301666687 201124866 /nfs/dbraw/zinc/12/48/66/201124866.db2.gz WZHLRGFGZQMRSY-GOSISDBHSA-N 2 1 295.430 3.348 20 0 CGADMP Cc1cc[nH+]c(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000301666687 201124868 /nfs/dbraw/zinc/12/48/68/201124868.db2.gz WZHLRGFGZQMRSY-GOSISDBHSA-N 2 1 295.430 3.348 20 0 CGADMP CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccnc1 ZINC000184833169 189396653 /nfs/dbraw/zinc/39/66/53/189396653.db2.gz VMPVERBLZRQTMR-OAHLLOKOSA-N 2 1 263.429 3.100 20 0 CGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000449034725 239133912 /nfs/dbraw/zinc/13/39/12/239133912.db2.gz KLUWYTUDMLAVBQ-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000449034725 239133915 /nfs/dbraw/zinc/13/39/15/239133915.db2.gz KLUWYTUDMLAVBQ-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP Cc1cccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449051961 239143767 /nfs/dbraw/zinc/14/37/67/239143767.db2.gz YKOWEGMIYZAFHL-QUCCMNQESA-N 2 1 298.474 3.486 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(C)(C)C ZINC000449076512 239161357 /nfs/dbraw/zinc/16/13/57/239161357.db2.gz TWPPUUCUYPHVJT-QWHCGFSZSA-N 2 1 251.418 3.242 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000342539613 216388670 /nfs/dbraw/zinc/38/86/70/216388670.db2.gz GFAQHCKITICYNF-LLVKDONJSA-N 2 1 279.334 3.163 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000342539613 216388673 /nfs/dbraw/zinc/38/86/73/216388673.db2.gz GFAQHCKITICYNF-LLVKDONJSA-N 2 1 279.334 3.163 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1F ZINC000449328364 239317635 /nfs/dbraw/zinc/31/76/35/239317635.db2.gz FLFISSSHTMIGGC-ZBFHGGJFSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1F ZINC000449328364 239317640 /nfs/dbraw/zinc/31/76/40/239317640.db2.gz FLFISSSHTMIGGC-ZBFHGGJFSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1F ZINC000449328364 239317644 /nfs/dbraw/zinc/31/76/44/239317644.db2.gz FLFISSSHTMIGGC-ZBFHGGJFSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000449373405 239359931 /nfs/dbraw/zinc/35/99/31/239359931.db2.gz RDIIBDVQKCSGRJ-KBMXLJTQSA-N 2 1 276.399 3.412 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000335634205 212348002 /nfs/dbraw/zinc/34/80/02/212348002.db2.gz NHCUIZLBIGIRDK-ZWKOTPCHSA-N 2 1 295.430 3.056 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000275674690 193101068 /nfs/dbraw/zinc/10/10/68/193101068.db2.gz VVMBZMQSRKWZED-QWHCGFSZSA-N 2 1 289.810 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CCc1ccc(Cl)cc1 ZINC000459442238 242110493 /nfs/dbraw/zinc/11/04/93/242110493.db2.gz XGVRGNJHYUHRLK-UHFFFAOYSA-N 2 1 291.826 3.457 20 0 CGADMP Cc1ccc2cc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)ccc2n1 ZINC000459733519 242195702 /nfs/dbraw/zinc/19/57/02/242195702.db2.gz GPCQWZITLCEIGB-MRXNPFEDSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c2c1 ZINC000460947788 242287428 /nfs/dbraw/zinc/28/74/28/242287428.db2.gz IHGPBLLXGDCXSH-GJZGRUSLSA-N 2 1 283.419 3.168 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c2c1 ZINC000460947788 242287433 /nfs/dbraw/zinc/28/74/33/242287433.db2.gz IHGPBLLXGDCXSH-GJZGRUSLSA-N 2 1 283.419 3.168 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC=C(C)C)[C@@H](C)C1 ZINC000479298578 243096457 /nfs/dbraw/zinc/09/64/57/243096457.db2.gz FRFQYWRULNJDRR-IRXDYDNUSA-N 2 1 282.472 3.069 20 0 CGADMP CCCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000479452015 243105432 /nfs/dbraw/zinc/10/54/32/243105432.db2.gz HXLQEDILXIHIDP-YOEHRIQHSA-N 2 1 260.425 3.211 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000483317048 243275554 /nfs/dbraw/zinc/27/55/54/243275554.db2.gz WUSVTWYDKUGKKG-SQWLQELKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000483317048 243275556 /nfs/dbraw/zinc/27/55/56/243275556.db2.gz WUSVTWYDKUGKKG-SQWLQELKSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000485265968 243329989 /nfs/dbraw/zinc/32/99/89/243329989.db2.gz CGPMBCQHOOSDFZ-CJNGLKHVSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000485265968 243329991 /nfs/dbraw/zinc/32/99/91/243329991.db2.gz CGPMBCQHOOSDFZ-CJNGLKHVSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc(Cl)cc2)CC[NH+]1C ZINC000485265968 243329995 /nfs/dbraw/zinc/32/99/95/243329995.db2.gz CGPMBCQHOOSDFZ-CJNGLKHVSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(Cl)cc2)CC[NH+]1C ZINC000485265968 243329998 /nfs/dbraw/zinc/32/99/98/243329998.db2.gz CGPMBCQHOOSDFZ-CJNGLKHVSA-N 2 1 280.843 3.297 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000122848245 370907333 /nfs/dbraw/zinc/90/73/33/370907333.db2.gz JNGOAZXIIJSPQG-HIFPTAJRSA-N 2 1 280.378 3.427 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488405824 243546900 /nfs/dbraw/zinc/54/69/00/243546900.db2.gz BNSXIONBYDBOEE-CABCVRRESA-N 2 1 281.469 3.091 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000020078479 368797938 /nfs/dbraw/zinc/79/79/38/368797938.db2.gz WHAFNSGXYLJTQA-SNVBAGLBSA-N 2 1 258.768 3.081 20 0 CGADMP CCCCCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000032049342 368923503 /nfs/dbraw/zinc/92/35/03/368923503.db2.gz YKVHGDYJZGAYSG-UHFFFAOYSA-N 2 1 276.424 3.179 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037099280 369061959 /nfs/dbraw/zinc/06/19/59/369061959.db2.gz MEOWFLCQLXXCHB-XPXVYLNCSA-N 2 1 292.389 3.426 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccccc2OC)CC1 ZINC000037149939 369069422 /nfs/dbraw/zinc/06/94/22/369069422.db2.gz VRHADCWCZCDMND-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000037213748 369076910 /nfs/dbraw/zinc/07/69/10/369076910.db2.gz VOSPIZSFFXIGEX-LLVKDONJSA-N 2 1 283.485 3.351 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1OC ZINC000037318582 369081398 /nfs/dbraw/zinc/08/13/98/369081398.db2.gz GMVJBHQEXRFVIR-QGZVFWFLSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649163 369095396 /nfs/dbraw/zinc/09/53/96/369095396.db2.gz TVKMVNGKZIYISZ-PBHICJAKSA-N 2 1 258.409 3.212 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000037644258 369095942 /nfs/dbraw/zinc/09/59/42/369095942.db2.gz VVIKRLXOWQCFRY-STQMWFEESA-N 2 1 298.377 3.280 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000037649225 369096997 /nfs/dbraw/zinc/09/69/97/369096997.db2.gz SYESUSDOPHKDRA-RYUDHWBXSA-N 2 1 280.362 3.100 20 0 CGADMP C[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)[NH+](C)C ZINC000037985881 369132811 /nfs/dbraw/zinc/13/28/11/369132811.db2.gz FFHNCRWCKYYJFU-SNVBAGLBSA-N 2 1 263.772 3.250 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000495051061 244348741 /nfs/dbraw/zinc/34/87/41/244348741.db2.gz UZPDVSUHJSSJBN-GRDNDAEWSA-N 2 1 260.425 3.272 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000227380725 189784384 /nfs/dbraw/zinc/78/43/84/189784384.db2.gz XLHCFWZRPDSLMP-GJZGRUSLSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccsc1 ZINC000050338842 369436069 /nfs/dbraw/zinc/43/60/69/369436069.db2.gz JEPJYPBCCGZVRI-ZDUSSCGKSA-N 2 1 252.427 3.275 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171841 369786265 /nfs/dbraw/zinc/78/62/65/369786265.db2.gz OVHHZXIZZGGPLL-ZBFHGGJFSA-N 2 1 276.424 3.033 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](C)C1 ZINC000085097496 370016213 /nfs/dbraw/zinc/01/62/13/370016213.db2.gz FYSIVPTYIZPPOJ-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](C)C1 ZINC000085097496 370016221 /nfs/dbraw/zinc/01/62/21/370016221.db2.gz FYSIVPTYIZPPOJ-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163803 370030795 /nfs/dbraw/zinc/03/07/95/370030795.db2.gz ZWCNOHOWUPHSGC-WZYMTQMTSA-N 2 1 276.424 3.206 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163803 370030800 /nfs/dbraw/zinc/03/08/00/370030800.db2.gz ZWCNOHOWUPHSGC-WZYMTQMTSA-N 2 1 276.424 3.206 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594761 370043781 /nfs/dbraw/zinc/04/37/81/370043781.db2.gz KGXHXWRZGQTYCW-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000090714607 370064916 /nfs/dbraw/zinc/06/49/16/370064916.db2.gz YSOXSKPVBMOHDK-QKPAOTATSA-N 2 1 250.430 3.172 20 0 CGADMP CC1CCC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000092043717 370090057 /nfs/dbraw/zinc/09/00/57/370090057.db2.gz YBXQOMJAEQWDLG-BACDZXNISA-N 2 1 264.457 3.229 20 0 CGADMP CC1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000092043717 370090061 /nfs/dbraw/zinc/09/00/61/370090061.db2.gz YBXQOMJAEQWDLG-BACDZXNISA-N 2 1 264.457 3.229 20 0 CGADMP CC1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000092043717 370090063 /nfs/dbraw/zinc/09/00/63/370090063.db2.gz YBXQOMJAEQWDLG-BACDZXNISA-N 2 1 264.457 3.229 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066114 370091814 /nfs/dbraw/zinc/09/18/14/370091814.db2.gz MMLZTDNCKQMIRO-RDTXWAMCSA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066114 370091816 /nfs/dbraw/zinc/09/18/16/370091816.db2.gz MMLZTDNCKQMIRO-RDTXWAMCSA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066114 370091820 /nfs/dbraw/zinc/09/18/20/370091820.db2.gz MMLZTDNCKQMIRO-RDTXWAMCSA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066114 370091821 /nfs/dbraw/zinc/09/18/21/370091821.db2.gz MMLZTDNCKQMIRO-RDTXWAMCSA-N 2 1 288.435 3.291 20 0 CGADMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093450857 370132665 /nfs/dbraw/zinc/13/26/65/370132665.db2.gz HMNTUUFDIOKXMB-VNQPRFMTSA-N 2 1 278.827 3.350 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000093644074 370149803 /nfs/dbraw/zinc/14/98/03/370149803.db2.gz PYYGUBAVYYDNIW-WCQYABFASA-N 2 1 284.806 3.394 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000093644074 370149807 /nfs/dbraw/zinc/14/98/07/370149807.db2.gz PYYGUBAVYYDNIW-WCQYABFASA-N 2 1 284.806 3.394 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC000093644074 370149812 /nfs/dbraw/zinc/14/98/12/370149812.db2.gz PYYGUBAVYYDNIW-WCQYABFASA-N 2 1 284.806 3.394 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC000093644074 370149815 /nfs/dbraw/zinc/14/98/15/370149815.db2.gz PYYGUBAVYYDNIW-WCQYABFASA-N 2 1 284.806 3.394 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868748 370353766 /nfs/dbraw/zinc/35/37/66/370353766.db2.gz TZOKYDGITYHREL-UONOGXRCSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868748 370353767 /nfs/dbraw/zinc/35/37/67/370353767.db2.gz TZOKYDGITYHREL-UONOGXRCSA-N 2 1 298.352 3.422 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CCCC[C@H]1C ZINC000423495862 296159443 /nfs/dbraw/zinc/15/94/43/296159443.db2.gz CZBMPYMLQOJEJV-LUYZLQTOSA-N 2 1 252.446 3.308 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000116386577 370559870 /nfs/dbraw/zinc/55/98/70/370559870.db2.gz MSAVAWCHCREPGK-INIZCTEOSA-N 2 1 260.425 3.082 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000344003121 217009288 /nfs/dbraw/zinc/00/92/88/217009288.db2.gz XUWIMWYHCDXGOZ-JYJNAYRXSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000344003121 217009290 /nfs/dbraw/zinc/00/92/90/217009290.db2.gz XUWIMWYHCDXGOZ-JYJNAYRXSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130252695 371021343 /nfs/dbraw/zinc/02/13/43/371021343.db2.gz MHEZRUHVIUQLMS-FPCVCCKLSA-N 2 1 264.457 3.418 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130351101 371027914 /nfs/dbraw/zinc/02/79/14/371027914.db2.gz DHOFBBYUNCNUCH-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP CCOCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000151627959 371619450 /nfs/dbraw/zinc/61/94/50/371619450.db2.gz YBKXBZRDGGQZNR-RLFYNMQTSA-N 2 1 290.451 3.041 20 0 CGADMP COC1([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)CCCCC1 ZINC000421848089 371671520 /nfs/dbraw/zinc/67/15/20/371671520.db2.gz AAPWEMUCOJETBD-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000151663844 371621482 /nfs/dbraw/zinc/62/14/82/371621482.db2.gz ISQWOCZAIZITSW-VYDXJSESSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000151663844 371621488 /nfs/dbraw/zinc/62/14/88/371621488.db2.gz ISQWOCZAIZITSW-VYDXJSESSA-N 3 1 298.434 3.006 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000151873206 371646154 /nfs/dbraw/zinc/64/61/54/371646154.db2.gz ATWCRRQSGUZFCC-OUCADQQQSA-N 2 1 266.454 3.060 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000151873206 371646156 /nfs/dbraw/zinc/64/61/56/371646156.db2.gz ATWCRRQSGUZFCC-OUCADQQQSA-N 2 1 266.454 3.060 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000151873362 371646377 /nfs/dbraw/zinc/64/63/77/371646377.db2.gz ATWCRRQSGUZFCC-SCRDCRAPSA-N 2 1 266.454 3.060 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000151873362 371646381 /nfs/dbraw/zinc/64/63/81/371646381.db2.gz ATWCRRQSGUZFCC-SCRDCRAPSA-N 2 1 266.454 3.060 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)c1ccccc1 ZINC000152377949 371691575 /nfs/dbraw/zinc/69/15/75/371691575.db2.gz NDAWSVJWAIWQFH-JKSUJKDBSA-N 2 1 286.463 3.427 20 0 CGADMP C(CC1CCCCC1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422561563 371749514 /nfs/dbraw/zinc/74/95/14/371749514.db2.gz LZHWMSVANIOTOA-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000422562065 371749801 /nfs/dbraw/zinc/74/98/01/371749801.db2.gz PDZQPUGHNXMHAG-FRRDWIJNSA-N 2 1 295.496 3.246 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000422562065 371749806 /nfs/dbraw/zinc/74/98/06/371749806.db2.gz PDZQPUGHNXMHAG-FRRDWIJNSA-N 2 1 295.496 3.246 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118033 371750216 /nfs/dbraw/zinc/75/02/16/371750216.db2.gz DGMOKJQLEQOMCR-KSSFIOAISA-N 2 1 297.446 3.477 20 0 CGADMP CC[N@@H+](Cc1ccn(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289556597 371760017 /nfs/dbraw/zinc/76/00/17/371760017.db2.gz YCRYBNXLWCEWGP-UHFFFAOYSA-N 2 1 285.435 3.109 20 0 CGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422712142 371763899 /nfs/dbraw/zinc/76/38/99/371763899.db2.gz GMNKVZATKPLBMA-AAEUAGOBSA-N 2 1 291.420 3.010 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422735783 371774971 /nfs/dbraw/zinc/77/49/71/371774971.db2.gz WPNXUSANVQEUJA-PKOBYXMFSA-N 2 1 296.414 3.278 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422734215 371775238 /nfs/dbraw/zinc/77/52/38/371775238.db2.gz SKFJJDDHVBPNFN-IUODEOHRSA-N 2 1 280.843 3.348 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000422740161 371776540 /nfs/dbraw/zinc/77/65/40/371776540.db2.gz AWMLVRJCHYPNAE-GUYCJALGSA-N 2 1 288.822 3.388 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422747334 371782454 /nfs/dbraw/zinc/78/24/54/371782454.db2.gz PWHMESXXKODHRR-GJZGRUSLSA-N 2 1 272.392 3.491 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000422761580 371790722 /nfs/dbraw/zinc/79/07/22/371790722.db2.gz MWWZPAPGLBJHGS-CZUORRHYSA-N 2 1 278.415 3.224 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422761578 371790740 /nfs/dbraw/zinc/79/07/40/371790740.db2.gz MWWZPAPGLBJHGS-BBRMVZONSA-N 2 1 278.415 3.224 20 0 CGADMP C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1c[nH+]ccc1N ZINC000422770555 371794862 /nfs/dbraw/zinc/79/48/62/371794862.db2.gz QIBPJZORGBUTQY-LBPRGKRZSA-N 2 1 285.366 3.016 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOC2CCCCCC2)c2ccccc21 ZINC000422772468 371797484 /nfs/dbraw/zinc/79/74/84/371797484.db2.gz ZBOLEKPOLDTUHX-MSOLQXFVSA-N 2 1 288.435 3.460 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCC12CCC2)[NH+]1CCCC1 ZINC000337382003 214041253 /nfs/dbraw/zinc/04/12/53/214041253.db2.gz DZZUYYFZIASBFB-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422791624 371810413 /nfs/dbraw/zinc/81/04/13/371810413.db2.gz QLHNDRYVRUWHGK-OFQRWUPVSA-N 2 1 278.465 3.287 20 0 CGADMP C[C@H](CC[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422858062 371843558 /nfs/dbraw/zinc/84/35/58/371843558.db2.gz ZMRQDSCATAMGJA-ZIAGYGMSSA-N 2 1 269.392 3.339 20 0 CGADMP CCCCOc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422893493 371857213 /nfs/dbraw/zinc/85/72/13/371857213.db2.gz AADLHUBCWOYMEL-MAUKXSAKSA-N 2 1 290.451 3.138 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000422916242 371868430 /nfs/dbraw/zinc/86/84/30/371868430.db2.gz CZWLHRJBHDVODE-JOCLIGHLSA-N 2 1 294.442 3.166 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290045261 371887922 /nfs/dbraw/zinc/88/79/22/371887922.db2.gz DSHRCUUMDUSJLV-BVIKNXMNSA-N 2 1 290.451 3.053 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290045261 371887925 /nfs/dbraw/zinc/88/79/25/371887925.db2.gz DSHRCUUMDUSJLV-BVIKNXMNSA-N 2 1 290.451 3.053 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)c(F)c(F)c1 ZINC000422954907 371890486 /nfs/dbraw/zinc/89/04/86/371890486.db2.gz IMWNKYXSKLBTLD-TTYIIPLBSA-N 2 1 284.325 3.038 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000422967957 371895723 /nfs/dbraw/zinc/89/57/23/371895723.db2.gz PYAGPJLRBSKZMO-QEJZJMRPSA-N 2 1 267.376 3.091 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000422981395 371902067 /nfs/dbraw/zinc/90/20/67/371902067.db2.gz SOPHDQUSBRPKJY-CGTJXYLNSA-N 2 1 289.467 3.243 20 0 CGADMP CSCc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000423064230 371944112 /nfs/dbraw/zinc/94/41/12/371944112.db2.gz YNCPUOTURBOKBH-LBPRGKRZSA-N 2 1 287.432 3.208 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000423025446 371922144 /nfs/dbraw/zinc/92/21/44/371922144.db2.gz OHKMFUXDNZEXCU-GRYCIOLGSA-N 2 1 268.351 3.004 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)[C@@H]1CCC[NH2+]1 ZINC000423032720 371927172 /nfs/dbraw/zinc/92/71/72/371927172.db2.gz YNDVDIDENVLISW-ABAIWWIYSA-N 2 1 296.817 3.241 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423094776 371959978 /nfs/dbraw/zinc/95/99/78/371959978.db2.gz KTOPIUDPPCTIOV-KFZJALRRSA-N 2 1 276.399 3.192 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423100673 371966448 /nfs/dbraw/zinc/96/64/48/371966448.db2.gz VKYFXPPPJAFNDP-LBPRGKRZSA-N 2 1 287.432 3.109 20 0 CGADMP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423087454 371954065 /nfs/dbraw/zinc/95/40/65/371954065.db2.gz ODFQTCZJBXOSMZ-INWMFGNUSA-N 2 1 296.842 3.005 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2ccccn2)cc1 ZINC000423091098 371956741 /nfs/dbraw/zinc/95/67/41/371956741.db2.gz ZIILRIOUGHLSBS-DAYGRLMNSA-N 2 1 283.419 3.195 20 0 CGADMP Cc1ccc([C@H](Cc2ccccc2)[NH2+]CC[NH3+])cc1C ZINC000423188713 372014792 /nfs/dbraw/zinc/01/47/92/372014792.db2.gz QCDWPMMHDPEAMA-SFHVURJKSA-N 2 1 268.404 3.136 20 0 CGADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccc(F)cc2)s1 ZINC000423193725 372018836 /nfs/dbraw/zinc/01/88/36/372018836.db2.gz WATARCMHOMSMAY-SNVBAGLBSA-N 2 1 264.369 3.164 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+](C)CCCn1ccnc1 ZINC000290579246 372021096 /nfs/dbraw/zinc/02/10/96/372021096.db2.gz ULAFSLIKNGVTKL-UHFFFAOYSA-N 2 1 283.375 3.460 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000423201491 372025130 /nfs/dbraw/zinc/02/51/30/372025130.db2.gz OYXHUERWCKYNLK-HNNXBMFYSA-N 2 1 250.386 3.018 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000290599271 372026593 /nfs/dbraw/zinc/02/65/93/372026593.db2.gz VUWCYBFZVPTMKT-CQSZACIVSA-N 2 1 294.389 3.129 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccnc1 ZINC000423204019 372027969 /nfs/dbraw/zinc/02/79/69/372027969.db2.gz TVPSTUDAAYDXND-MRXNPFEDSA-N 2 1 275.440 3.420 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259899 372044886 /nfs/dbraw/zinc/04/48/86/372044886.db2.gz FYQRPSQVOJLVNZ-OLMNPRSZSA-N 2 1 290.451 3.260 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423293591 372048466 /nfs/dbraw/zinc/04/84/66/372048466.db2.gz AFYLVBYKJUXKRO-XFJVYGCCSA-N 2 1 264.388 3.166 20 0 CGADMP COc1ccccc1[C@H]([NH2+]C[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000423319680 372051097 /nfs/dbraw/zinc/05/10/97/372051097.db2.gz LWQLUBZPXKBHSL-FUHWJXTLSA-N 2 1 288.435 3.253 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000158143834 372055886 /nfs/dbraw/zinc/05/58/86/372055886.db2.gz PMZLOTUEDWTRFJ-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423378748 372058058 /nfs/dbraw/zinc/05/80/58/372058058.db2.gz ZSQZOXFXZGZAOT-FHWLQOOXSA-N 2 1 293.414 3.381 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423382353 372058188 /nfs/dbraw/zinc/05/81/88/372058188.db2.gz OVRFZFHDGJUPKM-MDZLAQPJSA-N 2 1 281.469 3.366 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(F)c1 ZINC000423178173 372007684 /nfs/dbraw/zinc/00/76/84/372007684.db2.gz KOHPZXLNZUNGPM-GFCCVEGCSA-N 2 1 250.361 3.138 20 0 CGADMP COc1ccccc1[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1CCCC1 ZINC000423437138 372064019 /nfs/dbraw/zinc/06/40/19/372064019.db2.gz GCVRXSXHPHWWKE-OGHNNQOOSA-N 2 1 276.424 3.252 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCCCC(F)(F)F)CC[NH2+]CC2 ZINC000424301512 372081815 /nfs/dbraw/zinc/08/18/15/372081815.db2.gz XMVUPZFWVONWOX-GFCCVEGCSA-N 2 1 278.362 3.183 20 0 CGADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)s1 ZINC000424299878 372082287 /nfs/dbraw/zinc/08/22/87/372082287.db2.gz WCPSSYGIYNJPQW-GFCCVEGCSA-N 2 1 278.465 3.329 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158965461 372095439 /nfs/dbraw/zinc/09/54/39/372095439.db2.gz WBUPKVAAZFBCIZ-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000158965461 372095445 /nfs/dbraw/zinc/09/54/45/372095445.db2.gz WBUPKVAAZFBCIZ-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000158965461 372095449 /nfs/dbraw/zinc/09/54/49/372095449.db2.gz WBUPKVAAZFBCIZ-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000159331042 372132549 /nfs/dbraw/zinc/13/25/49/372132549.db2.gz CTJFLQVRJRDXNY-SJCJKPOMSA-N 2 1 276.399 3.133 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000159331454 372133092 /nfs/dbraw/zinc/13/30/92/372133092.db2.gz CTJFLQVRJRDXNY-SJKOYZFVSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)C[NH+](C)C ZINC000425943166 372146214 /nfs/dbraw/zinc/14/62/14/372146214.db2.gz IHNKKJBDTMTWHJ-DOMZBBRYSA-N 2 1 296.842 3.341 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161558869 372335320 /nfs/dbraw/zinc/33/53/20/372335320.db2.gz FRKATJWMKVMGHO-UHFFFAOYSA-N 2 1 291.483 3.498 20 0 CGADMP C[NH+]1CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCC2)CC1 ZINC000293269393 372341413 /nfs/dbraw/zinc/34/14/13/372341413.db2.gz CGVUDJLGNPLNSJ-UHFFFAOYSA-N 2 1 292.854 3.489 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163487969 372472713 /nfs/dbraw/zinc/47/27/13/372472713.db2.gz IRQKKVZLXMBCDP-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163487969 372472722 /nfs/dbraw/zinc/47/27/22/372472722.db2.gz IRQKKVZLXMBCDP-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163487969 372472733 /nfs/dbraw/zinc/47/27/33/372472733.db2.gz IRQKKVZLXMBCDP-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000163268492 372457159 /nfs/dbraw/zinc/45/71/59/372457159.db2.gz ZKJAGHIUKSQMCV-QWHCGFSZSA-N 2 1 278.465 3.229 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)C1 ZINC000163296626 372460234 /nfs/dbraw/zinc/46/02/34/372460234.db2.gz HFCLPQJYFFJURY-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)C1 ZINC000163296626 372460235 /nfs/dbraw/zinc/46/02/35/372460235.db2.gz HFCLPQJYFFJURY-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000165007846 372539386 /nfs/dbraw/zinc/53/93/86/372539386.db2.gz GQWUDPMUHPDBQG-FMKPAKJESA-N 2 1 296.480 3.146 20 0 CGADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000165007846 372539390 /nfs/dbraw/zinc/53/93/90/372539390.db2.gz GQWUDPMUHPDBQG-FMKPAKJESA-N 2 1 296.480 3.146 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1csc(Cl)c1)C[NH+](C)C ZINC000293893722 372514343 /nfs/dbraw/zinc/51/43/43/372514343.db2.gz ZHEKTPWJPSVENC-UWVGGRQHSA-N 2 1 260.834 3.250 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000164497440 372522347 /nfs/dbraw/zinc/52/23/47/372522347.db2.gz FFUBXIHNJJPGES-ZMSDIMECSA-N 2 1 260.425 3.122 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(C)CC1 ZINC000165332304 372549496 /nfs/dbraw/zinc/54/94/96/372549496.db2.gz HIRVBHRJUBQQEQ-FUHWJXTLSA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cccc(C)c23)[C@H](C)C1 ZINC000165234983 372545529 /nfs/dbraw/zinc/54/55/29/372545529.db2.gz WGKBJDWQTKGYSJ-NVXWUHKLSA-N 2 1 299.462 3.339 20 0 CGADMP CC[N@@H+](Cc1sccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435387116 372756181 /nfs/dbraw/zinc/75/61/81/372756181.db2.gz XDSQHCBEYFNWIH-ZDUSSCGKSA-N 2 1 252.427 3.021 20 0 CGADMP CC[N@@H+](C/C=C\c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435392214 372758437 /nfs/dbraw/zinc/75/84/37/372758437.db2.gz VQYGIZWMCLCWBI-YIEVGGLXSA-N 2 1 294.389 3.442 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550309 284347398 /nfs/dbraw/zinc/34/73/98/284347398.db2.gz NVSGPPWYHJEQSM-CVEARBPZSA-N 2 1 290.451 3.072 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550309 284347399 /nfs/dbraw/zinc/34/73/99/284347399.db2.gz NVSGPPWYHJEQSM-CVEARBPZSA-N 2 1 290.451 3.072 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550309 284347400 /nfs/dbraw/zinc/34/74/00/284347400.db2.gz NVSGPPWYHJEQSM-CVEARBPZSA-N 2 1 290.451 3.072 20 0 CGADMP CC(C)(C)CC[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438185508 372908178 /nfs/dbraw/zinc/90/81/78/372908178.db2.gz ZSYUORUHYVIVFQ-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438185508 372908185 /nfs/dbraw/zinc/90/81/85/372908185.db2.gz ZSYUORUHYVIVFQ-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccsc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353500191 220121443 /nfs/dbraw/zinc/12/14/43/220121443.db2.gz WTVQLNBLNHFJGW-MGPQQGTHSA-N 2 1 264.438 3.019 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000295884299 372948082 /nfs/dbraw/zinc/94/80/82/372948082.db2.gz HIXSCWOEUTUUIN-MMNRESRNSA-N 2 1 270.420 3.197 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000172851140 373049514 /nfs/dbraw/zinc/04/95/14/373049514.db2.gz CJHIPWDUIPGKAS-ABAIWWIYSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000172851140 373049526 /nfs/dbraw/zinc/04/95/26/373049526.db2.gz CJHIPWDUIPGKAS-ABAIWWIYSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)s1 ZINC000172851140 373049539 /nfs/dbraw/zinc/04/95/39/373049539.db2.gz CJHIPWDUIPGKAS-ABAIWWIYSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)s1 ZINC000172851140 373049547 /nfs/dbraw/zinc/04/95/47/373049547.db2.gz CJHIPWDUIPGKAS-ABAIWWIYSA-N 2 1 266.454 3.279 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172848816 373046519 /nfs/dbraw/zinc/04/65/19/373046519.db2.gz DQRWUCRJAAGYNW-WBVHZDCISA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172848816 373046526 /nfs/dbraw/zinc/04/65/26/373046526.db2.gz DQRWUCRJAAGYNW-WBVHZDCISA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172848816 373046530 /nfs/dbraw/zinc/04/65/30/373046530.db2.gz DQRWUCRJAAGYNW-WBVHZDCISA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172848816 373046535 /nfs/dbraw/zinc/04/65/35/373046535.db2.gz DQRWUCRJAAGYNW-WBVHZDCISA-N 2 1 290.451 3.388 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1cccc2ccccc21 ZINC000442766997 373075402 /nfs/dbraw/zinc/07/54/02/373075402.db2.gz PNJMNZWMBGKIFE-HOTGVXAUSA-N 2 1 298.430 3.278 20 0 CGADMP Cc1ccc(SCC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000442787073 373082004 /nfs/dbraw/zinc/08/20/04/373082004.db2.gz HELNFLPQGRYPEN-GJZGRUSLSA-N 2 1 278.465 3.065 20 0 CGADMP CSCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173397068 373135983 /nfs/dbraw/zinc/13/59/83/373135983.db2.gz UYPIIDRYVLVDKD-UHFFFAOYSA-N 2 1 292.492 3.336 20 0 CGADMP CSCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173397068 373135989 /nfs/dbraw/zinc/13/59/89/373135989.db2.gz UYPIIDRYVLVDKD-UHFFFAOYSA-N 2 1 292.492 3.336 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(CCSc2ccccc2F)C1 ZINC000173893657 373211353 /nfs/dbraw/zinc/21/13/53/373211353.db2.gz UAACGCOUEYHSQI-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP C[C@H]1CCC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444592065 373206527 /nfs/dbraw/zinc/20/65/27/373206527.db2.gz FREXRLIMVZYSHN-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP COc1ccsc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296648911 373207093 /nfs/dbraw/zinc/20/70/93/373207093.db2.gz YSPPASYDIGFUDG-ODWCKFRGSA-N 2 1 280.437 3.033 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296648911 373207109 /nfs/dbraw/zinc/20/71/09/373207109.db2.gz YSPPASYDIGFUDG-ODWCKFRGSA-N 2 1 280.437 3.033 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000173887848 373208697 /nfs/dbraw/zinc/20/86/97/373208697.db2.gz IUBNICAZMBOPKD-LBPRGKRZSA-N 2 1 284.806 3.253 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444749246 373258673 /nfs/dbraw/zinc/25/86/73/373258673.db2.gz UNCZQRQSXDMKPH-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444748695 373258928 /nfs/dbraw/zinc/25/89/28/373258928.db2.gz RJABZZYHBWFXDV-INIZCTEOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444748695 373258934 /nfs/dbraw/zinc/25/89/34/373258934.db2.gz RJABZZYHBWFXDV-INIZCTEOSA-N 2 1 263.429 3.340 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000174221566 373270143 /nfs/dbraw/zinc/27/01/43/373270143.db2.gz PRBHAJQRUWYGHM-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000174221566 373270147 /nfs/dbraw/zinc/27/01/47/373270147.db2.gz PRBHAJQRUWYGHM-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000174224021 373270304 /nfs/dbraw/zinc/27/03/04/373270304.db2.gz DKVAYCGGSZDOKW-VEGGFIAOSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000174224021 373270307 /nfs/dbraw/zinc/27/03/07/373270307.db2.gz DKVAYCGGSZDOKW-VEGGFIAOSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000445312478 373309717 /nfs/dbraw/zinc/30/97/17/373309717.db2.gz CHWPNGHDISVFIS-LSDHHAIUSA-N 2 1 272.436 3.120 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000298441000 373329864 /nfs/dbraw/zinc/32/98/64/373329864.db2.gz NLGLZWXTMBXFJW-FAEJEUNOSA-N 2 1 272.436 3.038 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000174629041 373346195 /nfs/dbraw/zinc/34/61/95/373346195.db2.gz KVRXRZIQGZRNLH-DOMZBBRYSA-N 2 1 296.842 3.169 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000174629041 373346199 /nfs/dbraw/zinc/34/61/99/373346199.db2.gz KVRXRZIQGZRNLH-DOMZBBRYSA-N 2 1 296.842 3.169 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Cl ZINC000447735697 373480568 /nfs/dbraw/zinc/48/05/68/373480568.db2.gz GNPALQZVYJSCCA-OAHLLOKOSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000447735697 373480574 /nfs/dbraw/zinc/48/05/74/373480574.db2.gz GNPALQZVYJSCCA-OAHLLOKOSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000447735697 373480581 /nfs/dbraw/zinc/48/05/81/373480581.db2.gz GNPALQZVYJSCCA-OAHLLOKOSA-N 2 1 280.843 3.422 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448056897 373543562 /nfs/dbraw/zinc/54/35/62/373543562.db2.gz SSSVQYSGLUYDHK-GASCZTMLSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449084403 373661930 /nfs/dbraw/zinc/66/19/30/373661930.db2.gz XPWYZBVRVDPDLC-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP Fc1ccc2c(NCC[NH+]3CCCCC3)cc[nH+]c2c1 ZINC000301277475 373725747 /nfs/dbraw/zinc/72/57/47/373725747.db2.gz PCXMAZDHNNHPSG-UHFFFAOYSA-N 2 1 273.355 3.272 20 0 CGADMP Clc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178957645 373820553 /nfs/dbraw/zinc/82/05/53/373820553.db2.gz MEIUMYHNVVTNAE-MRXNPFEDSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178973829 373822196 /nfs/dbraw/zinc/82/21/96/373822196.db2.gz MSYFBDAHXYOPJW-QGZVFWFLSA-N 2 1 290.476 3.085 20 0 CGADMP CC(C)C[C@@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178974558 373823644 /nfs/dbraw/zinc/82/36/44/373823644.db2.gz CSCYYEZATIASSP-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP CCc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000178439408 373778865 /nfs/dbraw/zinc/77/88/65/373778865.db2.gz ZQNOJQKAQVRIBJ-UHFFFAOYSA-N 2 1 271.408 3.276 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000178439408 373778872 /nfs/dbraw/zinc/77/88/72/373778872.db2.gz ZQNOJQKAQVRIBJ-UHFFFAOYSA-N 2 1 271.408 3.276 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4o3)CC[C@@H]21 ZINC000178547266 373791112 /nfs/dbraw/zinc/79/11/12/373791112.db2.gz GXZNSLZIASPEAB-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccccc4o3)CC[C@@H]21 ZINC000178547266 373791121 /nfs/dbraw/zinc/79/11/21/373791121.db2.gz GXZNSLZIASPEAB-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4o3)CC[C@@H]21 ZINC000178547266 373791122 /nfs/dbraw/zinc/79/11/22/373791122.db2.gz GXZNSLZIASPEAB-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP Cc1cc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000302578657 373897616 /nfs/dbraw/zinc/89/76/16/373897616.db2.gz RSSMYFZQXZISBC-GOSISDBHSA-N 2 1 281.403 3.467 20 0 CGADMP C[C@H]1C[C@H](NC2(c3ccc(F)cc3F)CCC2)CC[N@H+]1C ZINC000179754478 373912046 /nfs/dbraw/zinc/91/20/46/373912046.db2.gz LGJGNVZQNOKLTI-GXTWGEPZSA-N 2 1 294.389 3.416 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CCN1C ZINC000179754478 373912053 /nfs/dbraw/zinc/91/20/53/373912053.db2.gz LGJGNVZQNOKLTI-GXTWGEPZSA-N 2 1 294.389 3.416 20 0 CGADMP CSCC1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000449783658 373912499 /nfs/dbraw/zinc/91/24/99/373912499.db2.gz QTBXBTQCZSEINJ-UHFFFAOYSA-N 2 1 284.513 3.372 20 0 CGADMP CSCC1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000449783658 373912506 /nfs/dbraw/zinc/91/25/06/373912506.db2.gz QTBXBTQCZSEINJ-UHFFFAOYSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308771915 374180066 /nfs/dbraw/zinc/18/00/66/374180066.db2.gz XPQHPDCUKGRUEO-ZFWWWQNUSA-N 2 1 250.430 3.053 20 0 CGADMP CC[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309745770 374195308 /nfs/dbraw/zinc/19/53/08/374195308.db2.gz UENWQAJSPQVDBV-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CCCC1 ZINC000310807319 374225657 /nfs/dbraw/zinc/22/56/57/374225657.db2.gz YSRHQEAUHVIJCF-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000312602933 374283471 /nfs/dbraw/zinc/28/34/71/374283471.db2.gz NNDIEEJZIRYBDX-WPRPVWTQSA-N 2 1 293.263 3.485 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453335762 374428955 /nfs/dbraw/zinc/42/89/55/374428955.db2.gz DSKQGIQWCGQCQQ-KSAJCEOXSA-N 2 1 264.457 3.416 20 0 CGADMP CCC[C@@H](C)[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453349666 374441102 /nfs/dbraw/zinc/44/11/02/374441102.db2.gz LUQJXZNUHLFYPL-SDKNFDLMSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453393718 374473341 /nfs/dbraw/zinc/47/33/41/374473341.db2.gz FYXUXXACZDTBQJ-RDTXWAMCSA-N 2 1 272.436 3.384 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000090403005 541959891 /nfs/dbraw/zinc/95/98/91/541959891.db2.gz BFUWAIJMQZAASF-HZSPNIEDSA-N 2 1 295.496 3.470 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000090403005 541959895 /nfs/dbraw/zinc/95/98/95/541959895.db2.gz BFUWAIJMQZAASF-HZSPNIEDSA-N 2 1 295.496 3.470 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2coc3ccccc23)CC[N@@H+]1C ZINC000093643988 541982495 /nfs/dbraw/zinc/98/24/95/541982495.db2.gz LCTRMGVWHURMRR-DZGCQCFKSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2coc3ccccc23)CC[N@H+]1C ZINC000093643988 541982499 /nfs/dbraw/zinc/98/24/99/541982499.db2.gz LCTRMGVWHURMRR-DZGCQCFKSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2coc3ccccc23)CC[NH+]1C ZINC000093643988 541982502 /nfs/dbraw/zinc/98/25/02/541982502.db2.gz LCTRMGVWHURMRR-DZGCQCFKSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2coc3ccccc23)CC[NH+]1C ZINC000093643988 541982505 /nfs/dbraw/zinc/98/25/05/541982505.db2.gz LCTRMGVWHURMRR-DZGCQCFKSA-N 2 1 272.392 3.347 20 0 CGADMP Cn1ccnc1[C@H]1CCN(Cc2cccc(Cl)c2F)C1 ZINC000334416174 374732429 /nfs/dbraw/zinc/73/24/29/374732429.db2.gz ODMWKWXUMLGTJA-LBPRGKRZSA-N 2 1 293.773 3.202 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000186201272 374814766 /nfs/dbraw/zinc/81/47/66/374814766.db2.gz XKZYJXHIYXCYOW-GFCCVEGCSA-N 2 1 282.453 3.280 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459796815 374820167 /nfs/dbraw/zinc/82/01/67/374820167.db2.gz WJBUZIAUUFKRRU-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000459780920 374821239 /nfs/dbraw/zinc/82/12/39/374821239.db2.gz LXKVZMHNYQXYBK-CRAIPNDOSA-N 2 1 287.451 3.255 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000094357977 541986231 /nfs/dbraw/zinc/98/62/31/541986231.db2.gz VVCDKLQDTAZVEP-CJNGLKHVSA-N 2 1 258.409 3.136 20 0 CGADMP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000465050742 374929812 /nfs/dbraw/zinc/92/98/12/374929812.db2.gz MPWAQUHWKYVFNG-HNNXBMFYSA-N 2 1 283.419 3.047 20 0 CGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000186884793 374932775 /nfs/dbraw/zinc/93/27/75/374932775.db2.gz OCFISPGJBGHPCY-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1C1CCCCC1)C1CC[NH2+]CC1 ZINC000479702162 375154774 /nfs/dbraw/zinc/15/47/74/375154774.db2.gz SHAHIFBHDMVUQG-QGZVFWFLSA-N 2 1 264.457 3.421 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000474487443 375115631 /nfs/dbraw/zinc/11/56/31/375115631.db2.gz VLLUBPNUVAIKRF-KSZLIROESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CCSCC1 ZINC000474601309 375119000 /nfs/dbraw/zinc/11/90/00/375119000.db2.gz QQLCWABSMJDUGC-AWEZNQCLSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CCSCC1 ZINC000474601309 375119006 /nfs/dbraw/zinc/11/90/06/375119006.db2.gz QQLCWABSMJDUGC-AWEZNQCLSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000187957929 375126513 /nfs/dbraw/zinc/12/65/13/375126513.db2.gz XOYXJKICQZGDJQ-KBPBESRZSA-N 2 1 289.398 3.188 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188445279 375216335 /nfs/dbraw/zinc/21/63/35/375216335.db2.gz SGGHYTHDNWXKCM-GBESFXJTSA-N 2 1 284.447 3.453 20 0 CGADMP Cc1[nH+]ccc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1Cl ZINC000488759187 375312212 /nfs/dbraw/zinc/31/22/12/375312212.db2.gz BBHXHQAXBHHGNJ-GFCCVEGCSA-N 2 1 293.842 3.354 20 0 CGADMP Cn1cccc1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000189093610 375323462 /nfs/dbraw/zinc/32/34/62/375323462.db2.gz ZLCAGNHLTSQGKV-QGZVFWFLSA-N 2 1 275.440 3.038 20 0 CGADMP Cn1cccc1[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000189093610 375323469 /nfs/dbraw/zinc/32/34/69/375323469.db2.gz ZLCAGNHLTSQGKV-QGZVFWFLSA-N 2 1 275.440 3.038 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@H]([NH+](C)C)CC1 ZINC000335355178 375266003 /nfs/dbraw/zinc/26/60/03/375266003.db2.gz DOQYRCCMKIQKFJ-HNNXBMFYSA-N 2 1 283.419 3.464 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCCS2 ZINC000335551553 375329464 /nfs/dbraw/zinc/32/94/64/375329464.db2.gz IEYMSSDANWLZDZ-ZDUSSCGKSA-N 2 1 282.840 3.076 20 0 CGADMP c1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CC21CC1 ZINC000189240642 375346163 /nfs/dbraw/zinc/34/61/63/375346163.db2.gz CYTWHBPCOCHFRI-UHFFFAOYSA-N 2 1 284.447 3.410 20 0 CGADMP c1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CC21CC1 ZINC000189240642 375346170 /nfs/dbraw/zinc/34/61/70/375346170.db2.gz CYTWHBPCOCHFRI-UHFFFAOYSA-N 2 1 284.447 3.410 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335757347 375405018 /nfs/dbraw/zinc/40/50/18/375405018.db2.gz IRIKNSIHYJTGGC-RHSMWYFYSA-N 2 1 283.419 3.116 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000335842054 375475692 /nfs/dbraw/zinc/47/56/92/375475692.db2.gz RWZCOSWAAKDKPZ-DGCLKSJQSA-N 2 1 260.406 3.070 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@@H](C)C1 ZINC000335959606 375572594 /nfs/dbraw/zinc/57/25/94/375572594.db2.gz HJOFTBAXUFCHLZ-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000507489034 375707399 /nfs/dbraw/zinc/70/73/99/375707399.db2.gz VXXVDXAXNBVGNK-JKSUJKDBSA-N 2 1 289.467 3.415 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000507489034 375707403 /nfs/dbraw/zinc/70/74/03/375707403.db2.gz VXXVDXAXNBVGNK-JKSUJKDBSA-N 2 1 289.467 3.415 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000507489032 375707449 /nfs/dbraw/zinc/70/74/49/375707449.db2.gz VXXVDXAXNBVGNK-HZPDHXFCSA-N 2 1 289.467 3.415 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000507489032 375707452 /nfs/dbraw/zinc/70/74/52/375707452.db2.gz VXXVDXAXNBVGNK-HZPDHXFCSA-N 2 1 289.467 3.415 20 0 CGADMP Cc1nc2c(n1[C@H]1CC[N@H+](C3CCCC3)C1)CCCC2 ZINC000336139949 375718441 /nfs/dbraw/zinc/71/84/41/375718441.db2.gz IVWKGCIGHXIVCE-HNNXBMFYSA-N 2 1 273.424 3.260 20 0 CGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C3CCCC3)C1)CCCC2 ZINC000336139949 375718446 /nfs/dbraw/zinc/71/84/46/375718446.db2.gz IVWKGCIGHXIVCE-HNNXBMFYSA-N 2 1 273.424 3.260 20 0 CGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C3CCCC3)C1)CCCC2 ZINC000336139949 375718452 /nfs/dbraw/zinc/71/84/52/375718452.db2.gz IVWKGCIGHXIVCE-HNNXBMFYSA-N 2 1 273.424 3.260 20 0 CGADMP Cc1cc(C)cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192890687 375799343 /nfs/dbraw/zinc/79/93/43/375799343.db2.gz RMFOYENTCKYRRX-AYHJJNSGSA-N 2 1 272.436 3.061 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000513100065 375800851 /nfs/dbraw/zinc/80/08/51/375800851.db2.gz FYLVMQZUIZECSF-TVFCKZIOSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000513100065 375800857 /nfs/dbraw/zinc/80/08/57/375800857.db2.gz FYLVMQZUIZECSF-TVFCKZIOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1coc2ccccc12 ZINC000336396700 375788369 /nfs/dbraw/zinc/78/83/69/375788369.db2.gz USWLPVOAZSMZCV-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1coc2ccccc12 ZINC000336396700 375788372 /nfs/dbraw/zinc/78/83/72/375788372.db2.gz USWLPVOAZSMZCV-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1coc2ccccc12 ZINC000336396700 375788374 /nfs/dbraw/zinc/78/83/74/375788374.db2.gz USWLPVOAZSMZCV-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1coc2ccccc12 ZINC000336396700 375788377 /nfs/dbraw/zinc/78/83/77/375788377.db2.gz USWLPVOAZSMZCV-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1sccc1Cl ZINC000193124405 375830483 /nfs/dbraw/zinc/83/04/83/375830483.db2.gz OAIKCZINUGIXMY-UHFFFAOYSA-N 2 1 283.828 3.476 20 0 CGADMP CC(C)OCc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000520564840 375864348 /nfs/dbraw/zinc/86/43/48/375864348.db2.gz DDVCHNGNQWSTBL-MSOLQXFVSA-N 2 1 290.451 3.361 20 0 CGADMP C[N@@H+](CCSCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000193632745 375901357 /nfs/dbraw/zinc/90/13/57/375901357.db2.gz GJUUCOZOTXBBGO-UHFFFAOYSA-N 2 1 292.492 3.338 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000193358824 375866739 /nfs/dbraw/zinc/86/67/39/375866739.db2.gz QISICTNTXINVKP-RHSMWYFYSA-N 2 1 275.440 3.081 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000194194079 375970418 /nfs/dbraw/zinc/97/04/18/375970418.db2.gz YHEFCRSPGUSIAV-CABCVRRESA-N 2 1 271.408 3.221 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000535468155 376038087 /nfs/dbraw/zinc/03/80/87/376038087.db2.gz HTYNGEXWEJWRDY-QZTJIDSGSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000535468155 376038095 /nfs/dbraw/zinc/03/80/95/376038095.db2.gz HTYNGEXWEJWRDY-QZTJIDSGSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000535468155 376038100 /nfs/dbraw/zinc/03/81/00/376038100.db2.gz HTYNGEXWEJWRDY-QZTJIDSGSA-N 2 1 274.452 3.424 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000535745358 376052768 /nfs/dbraw/zinc/05/27/68/376052768.db2.gz HLNXXDNJTMPVAD-IMJJTQAJSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000535745358 376052776 /nfs/dbraw/zinc/05/27/76/376052776.db2.gz HLNXXDNJTMPVAD-IMJJTQAJSA-N 2 1 261.413 3.092 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000195136629 376082800 /nfs/dbraw/zinc/08/28/00/376082800.db2.gz QYLZFZFRFBMTEN-MRXNPFEDSA-N 2 1 284.447 3.287 20 0 CGADMP C[C@H]([N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)C(C)(C)C ZINC000211949873 376137040 /nfs/dbraw/zinc/13/70/40/376137040.db2.gz VQDTWMBGQPWJKA-ZDUSSCGKSA-N 2 1 260.425 3.199 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000536874255 376138730 /nfs/dbraw/zinc/13/87/30/376138730.db2.gz AZPNXGPYRGGJIW-WLGNDBIMSA-N 2 1 264.457 3.274 20 0 CGADMP CCc1ccc(CC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000536996819 376144780 /nfs/dbraw/zinc/14/47/80/376144780.db2.gz HWXFPDRSNFDRPQ-UHFFFAOYSA-N 2 1 286.463 3.352 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)CC3CC[NH2+]CC3)ccc2c1 ZINC000262367050 190053944 /nfs/dbraw/zinc/05/39/44/190053944.db2.gz XDRHNFYRGPBHIL-UHFFFAOYSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615215 376180408 /nfs/dbraw/zinc/18/04/08/376180408.db2.gz NULWHCXSANCKBA-TZMCWYRMSA-N 2 1 293.480 3.325 20 0 CGADMP COc1ccc([C@@H](C)NCCC[N@@H+](C)C(C)C)c(OC)c1 ZINC000221923698 376223228 /nfs/dbraw/zinc/22/32/28/376223228.db2.gz JDYKWDVTLDCTBE-CQSZACIVSA-N 2 1 294.439 3.085 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221926956 376225579 /nfs/dbraw/zinc/22/55/79/376225579.db2.gz MDINMIJEXPLVBH-OAHLLOKOSA-N 2 1 278.440 3.466 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221926956 376225583 /nfs/dbraw/zinc/22/55/83/376225583.db2.gz MDINMIJEXPLVBH-OAHLLOKOSA-N 2 1 278.440 3.466 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC000538553430 376247551 /nfs/dbraw/zinc/24/75/51/376247551.db2.gz GGLWTGHAUROTGJ-UHFFFAOYSA-N 2 1 270.420 3.183 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000538953589 376281613 /nfs/dbraw/zinc/28/16/13/376281613.db2.gz IFTWNCHCPNVTSJ-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000538953589 376281615 /nfs/dbraw/zinc/28/16/15/376281615.db2.gz IFTWNCHCPNVTSJ-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000538953589 376281618 /nfs/dbraw/zinc/28/16/18/376281618.db2.gz IFTWNCHCPNVTSJ-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP c1ccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c2c1 ZINC000228046321 376425437 /nfs/dbraw/zinc/42/54/37/376425437.db2.gz HUPDLWDNPKVMDY-KBPBESRZSA-N 2 1 267.376 3.274 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000226867369 376374570 /nfs/dbraw/zinc/37/45/70/376374570.db2.gz AFAVWZGDUKUUEB-VNCIIQTRSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000226867369 376374577 /nfs/dbraw/zinc/37/45/77/376374577.db2.gz AFAVWZGDUKUUEB-VNCIIQTRSA-N 2 1 272.436 3.313 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000263258027 190067337 /nfs/dbraw/zinc/06/73/37/190067337.db2.gz RLYYXBVLWVDFNF-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000228538555 376440911 /nfs/dbraw/zinc/44/09/11/376440911.db2.gz RCAWWRVXKIQUKW-YWPYICTPSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000228538555 376440915 /nfs/dbraw/zinc/44/09/15/376440915.db2.gz RCAWWRVXKIQUKW-YWPYICTPSA-N 2 1 282.790 3.038 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000542164045 376513931 /nfs/dbraw/zinc/51/39/31/376513931.db2.gz YQVVGVSLZKVIQU-PBHICJAKSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000542164045 376513939 /nfs/dbraw/zinc/51/39/39/376513939.db2.gz YQVVGVSLZKVIQU-PBHICJAKSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000542164045 376513948 /nfs/dbraw/zinc/51/39/48/376513948.db2.gz YQVVGVSLZKVIQU-PBHICJAKSA-N 2 1 292.492 3.343 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000338772227 376521023 /nfs/dbraw/zinc/52/10/23/376521023.db2.gz APQKIWRQZBOIFP-ZDUSSCGKSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000542549176 376558009 /nfs/dbraw/zinc/55/80/09/376558009.db2.gz AOZPZBZKDVKYRL-ROUUACIJSA-N 2 1 292.442 3.467 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000542464784 376544557 /nfs/dbraw/zinc/54/45/57/376544557.db2.gz JPMDGHXJNLFIAL-WBVHZDCISA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000542694279 376570488 /nfs/dbraw/zinc/57/04/88/376570488.db2.gz SHJGBVJGDYUVTB-DOTOQJQBSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]([NH2+]CCC[NH3+])c1cc(Cl)sc1Cl ZINC000235214504 376634719 /nfs/dbraw/zinc/63/47/19/376634719.db2.gz SXAILUVDIMVNAS-ZCFIWIBFSA-N 2 1 253.198 3.054 20 0 CGADMP Cc1cccc(CCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000544126197 376708066 /nfs/dbraw/zinc/70/80/66/376708066.db2.gz AEGXTDTZPYZKQD-UHFFFAOYSA-N 2 1 286.463 3.488 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000237552768 376751939 /nfs/dbraw/zinc/75/19/39/376751939.db2.gz VIDOQEHEHQOPRG-CYBMUJFWSA-N 2 1 282.391 3.099 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000339440079 376755688 /nfs/dbraw/zinc/75/56/88/376755688.db2.gz XKAZXYWXHCZKQE-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000339440079 376755698 /nfs/dbraw/zinc/75/56/98/376755698.db2.gz XKAZXYWXHCZKQE-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000339440079 376755705 /nfs/dbraw/zinc/75/57/05/376755705.db2.gz XKAZXYWXHCZKQE-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000154732193 542120502 /nfs/dbraw/zinc/12/05/02/542120502.db2.gz RGOIGAQXNVTHKI-QGZVFWFLSA-N 2 1 294.389 3.415 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000156516106 542128564 /nfs/dbraw/zinc/12/85/64/542128564.db2.gz VQRSLVGQGZHYLE-NVXWUHKLSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000556883025 376898226 /nfs/dbraw/zinc/89/82/26/376898226.db2.gz AIZKDGCCRHLLJT-OTWHNJEPSA-N 2 1 286.463 3.308 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896153 376902221 /nfs/dbraw/zinc/90/22/21/376902221.db2.gz TYSPPPOTOCNGLY-SWLSCSKDSA-N 2 1 293.480 3.183 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245599709 376865260 /nfs/dbraw/zinc/86/52/60/376865260.db2.gz MDYKJHGHVIGOIS-BZUAXINKSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245599709 376865266 /nfs/dbraw/zinc/86/52/66/376865266.db2.gz MDYKJHGHVIGOIS-BZUAXINKSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245599709 376865268 /nfs/dbraw/zinc/86/52/68/376865268.db2.gz MDYKJHGHVIGOIS-BZUAXINKSA-N 2 1 252.446 3.371 20 0 CGADMP c1csc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246129539 376971483 /nfs/dbraw/zinc/97/14/83/376971483.db2.gz KTNVLZNTQDJPDX-BBRMVZONSA-N 2 1 276.449 3.197 20 0 CGADMP c1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246129539 376971492 /nfs/dbraw/zinc/97/14/92/376971492.db2.gz KTNVLZNTQDJPDX-BBRMVZONSA-N 2 1 276.449 3.197 20 0 CGADMP c1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246129539 376971500 /nfs/dbraw/zinc/97/15/00/376971500.db2.gz KTNVLZNTQDJPDX-BBRMVZONSA-N 2 1 276.449 3.197 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000556934110 376908763 /nfs/dbraw/zinc/90/87/63/376908763.db2.gz SHDWFIIMOZVPIQ-RYQLBKOJSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000556934110 376908764 /nfs/dbraw/zinc/90/87/64/376908764.db2.gz SHDWFIIMOZVPIQ-RYQLBKOJSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000556934110 376908767 /nfs/dbraw/zinc/90/87/67/376908767.db2.gz SHDWFIIMOZVPIQ-RYQLBKOJSA-N 2 1 276.468 3.397 20 0 CGADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000245840031 376915496 /nfs/dbraw/zinc/91/54/96/376915496.db2.gz FTCUAXCDVLRZDB-QZTJIDSGSA-N 2 1 294.483 3.144 20 0 CGADMP CC[C@@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@@H]1CC ZINC000340145385 376929075 /nfs/dbraw/zinc/92/90/75/376929075.db2.gz IWKJCUKVKNCUJU-AXHPFZFWSA-N 2 1 250.430 3.291 20 0 CGADMP CC[C@@H]1CCC[N@H+]1C/C=C/C[NH+]1CCC[C@@H]1CC ZINC000340145385 376929082 /nfs/dbraw/zinc/92/90/82/376929082.db2.gz IWKJCUKVKNCUJU-AXHPFZFWSA-N 2 1 250.430 3.291 20 0 CGADMP CC[C@@H]1CCC[N@@H+]1C/C=C/C[NH+]1CCC[C@@H]1CC ZINC000340145385 376929093 /nfs/dbraw/zinc/92/90/93/376929093.db2.gz IWKJCUKVKNCUJU-AXHPFZFWSA-N 2 1 250.430 3.291 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000246043937 376956462 /nfs/dbraw/zinc/95/64/62/376956462.db2.gz BOHKVIZCHJJIFT-CRAIPNDOSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CCOC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000340250843 376964096 /nfs/dbraw/zinc/96/40/96/376964096.db2.gz GIQDVYATDYRXLE-NVXWUHKLSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H]1c1cccc(F)c1 ZINC000246501831 377043481 /nfs/dbraw/zinc/04/34/81/377043481.db2.gz PZYQGYUAWMCZEQ-SUMWQHHRSA-N 2 1 276.399 3.208 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC000246547399 377049261 /nfs/dbraw/zinc/04/92/61/377049261.db2.gz WILRGHAHZUSUHS-CVEARBPZSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000558256506 376991415 /nfs/dbraw/zinc/99/14/15/376991415.db2.gz ISLKRSGGASWDBW-IKGGRYGDSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000558256506 376991421 /nfs/dbraw/zinc/99/14/21/376991421.db2.gz ISLKRSGGASWDBW-IKGGRYGDSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246302917 377006139 /nfs/dbraw/zinc/00/61/39/377006139.db2.gz DEWRMQJCXDOVDR-XYJFISCASA-N 2 1 274.452 3.307 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246302917 377006148 /nfs/dbraw/zinc/00/61/48/377006148.db2.gz DEWRMQJCXDOVDR-XYJFISCASA-N 2 1 274.452 3.307 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Sc2ccccc2)[C@H](C)C1 ZINC000246912733 377116451 /nfs/dbraw/zinc/11/64/51/377116451.db2.gz FTPWXMSGEOTARI-VYDXJSESSA-N 2 1 292.492 3.487 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000246932714 377121237 /nfs/dbraw/zinc/12/12/37/377121237.db2.gz HFVDUPDQEWJNIB-TYNCELHUSA-N 2 1 266.454 3.129 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968188 377056438 /nfs/dbraw/zinc/05/64/38/377056438.db2.gz CUXLHXSXVRSZFZ-LAQRGFTBSA-N 2 1 274.452 3.499 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccccc1 ZINC000246669073 377069809 /nfs/dbraw/zinc/06/98/09/377069809.db2.gz FHLXFZMBOVDLIX-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000246669073 377069820 /nfs/dbraw/zinc/06/98/20/377069820.db2.gz FHLXFZMBOVDLIX-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000246669073 377069825 /nfs/dbraw/zinc/06/98/25/377069825.db2.gz FHLXFZMBOVDLIX-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340458559 377072416 /nfs/dbraw/zinc/07/24/16/377072416.db2.gz AZAMKKDHJSSOTA-ZMSDIMECSA-N 2 1 278.415 3.235 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000246939759 377125110 /nfs/dbraw/zinc/12/51/10/377125110.db2.gz HONOKJCIGCUHFS-LZWOXQAQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247379343 377198824 /nfs/dbraw/zinc/19/88/24/377198824.db2.gz UAYNGKXGNXWITN-BFYDXBDKSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247379343 377198829 /nfs/dbraw/zinc/19/88/29/377198829.db2.gz UAYNGKXGNXWITN-BFYDXBDKSA-N 2 1 260.425 3.080 20 0 CGADMP CCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246960465 377126806 /nfs/dbraw/zinc/12/68/06/377126806.db2.gz UXOLYCVQZQQPIM-HOCLYGCPSA-N 2 1 250.430 3.125 20 0 CGADMP CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246960465 377126809 /nfs/dbraw/zinc/12/68/09/377126809.db2.gz UXOLYCVQZQQPIM-HOCLYGCPSA-N 2 1 250.430 3.125 20 0 CGADMP CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246960465 377126814 /nfs/dbraw/zinc/12/68/14/377126814.db2.gz UXOLYCVQZQQPIM-HOCLYGCPSA-N 2 1 250.430 3.125 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000247032735 377144817 /nfs/dbraw/zinc/14/48/17/377144817.db2.gz MGNKKCIKHZXIHO-WBVHZDCISA-N 2 1 292.471 3.115 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cs1 ZINC000247032863 377145616 /nfs/dbraw/zinc/14/56/16/377145616.db2.gz NPEBBMRTQVGIOV-GZBFAFLISA-N 2 1 295.496 3.127 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000247058967 377149999 /nfs/dbraw/zinc/14/99/99/377149999.db2.gz PLHZISKFBYNLTK-SOLBZPMBSA-N 2 1 286.463 3.345 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000560515263 377163964 /nfs/dbraw/zinc/16/39/64/377163964.db2.gz WOCVDAVKBCLRNA-BZUAXINKSA-N 2 1 278.465 3.273 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2F)C1 ZINC000247143120 377167103 /nfs/dbraw/zinc/16/71/03/377167103.db2.gz SKICAHHRWCIISP-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2F)C1 ZINC000247143120 377167106 /nfs/dbraw/zinc/16/71/06/377167106.db2.gz SKICAHHRWCIISP-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554681 377171204 /nfs/dbraw/zinc/17/12/04/377171204.db2.gz HUEIMNBVAITKMW-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554681 377171214 /nfs/dbraw/zinc/17/12/14/377171214.db2.gz HUEIMNBVAITKMW-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554681 377171228 /nfs/dbraw/zinc/17/12/28/377171228.db2.gz HUEIMNBVAITKMW-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000247187387 377174692 /nfs/dbraw/zinc/17/46/92/377174692.db2.gz VPSADLOLGMOEKZ-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000561314765 377220458 /nfs/dbraw/zinc/22/04/58/377220458.db2.gz ONECWNCCUIXQID-YWWDTZIBSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247975717 377253814 /nfs/dbraw/zinc/25/38/14/377253814.db2.gz KRXLGKRJNBQIAO-LSDHHAIUSA-N 2 1 278.465 3.159 20 0 CGADMP CC(C)COc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000561971128 377259005 /nfs/dbraw/zinc/25/90/05/377259005.db2.gz ZTUMDDOYFJQKBX-UHFFFAOYSA-N 2 1 278.440 3.105 20 0 CGADMP CC(C)COc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000561971128 377259008 /nfs/dbraw/zinc/25/90/08/377259008.db2.gz ZTUMDDOYFJQKBX-UHFFFAOYSA-N 2 1 278.440 3.105 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000247415230 377203395 /nfs/dbraw/zinc/20/33/95/377203395.db2.gz ZVTDWFUGOIXPFA-CVEARBPZSA-N 2 1 290.451 3.466 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000562519527 377321510 /nfs/dbraw/zinc/32/15/10/377321510.db2.gz ANQPBZGMMVQTRZ-UYVKZUBASA-N 2 1 296.499 3.289 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161630322 542159352 /nfs/dbraw/zinc/15/93/52/542159352.db2.gz SYSFVUIBTJOGCO-UXLLHSPISA-N 2 1 286.419 3.117 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161630322 542159357 /nfs/dbraw/zinc/15/93/57/542159357.db2.gz SYSFVUIBTJOGCO-UXLLHSPISA-N 2 1 286.419 3.117 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248179054 377276455 /nfs/dbraw/zinc/27/64/55/377276455.db2.gz WBUPKVAAZFBCIZ-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248179054 377276458 /nfs/dbraw/zinc/27/64/58/377276458.db2.gz WBUPKVAAZFBCIZ-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3CCCC3)CC[C@H]21 ZINC000248176700 377276784 /nfs/dbraw/zinc/27/67/84/377276784.db2.gz VRUTXMHKDTWWIH-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@H]21 ZINC000248176700 377276788 /nfs/dbraw/zinc/27/67/88/377276788.db2.gz VRUTXMHKDTWWIH-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000248199098 377280109 /nfs/dbraw/zinc/28/01/09/377280109.db2.gz XZPPIYDTOGDNIZ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000248199098 377280118 /nfs/dbraw/zinc/28/01/18/377280118.db2.gz XZPPIYDTOGDNIZ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000248199098 377280123 /nfs/dbraw/zinc/28/01/23/377280123.db2.gz XZPPIYDTOGDNIZ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000248199098 377280129 /nfs/dbraw/zinc/28/01/29/377280129.db2.gz XZPPIYDTOGDNIZ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000562259043 377287777 /nfs/dbraw/zinc/28/77/77/377287777.db2.gz FUBDRMANEBSOEU-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000562259043 377287780 /nfs/dbraw/zinc/28/77/80/377287780.db2.gz FUBDRMANEBSOEU-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000248734026 377388835 /nfs/dbraw/zinc/38/88/35/377388835.db2.gz MTYDTVVPXLGIIC-HZPDHXFCSA-N 2 1 296.842 3.101 20 0 CGADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000248734026 377388841 /nfs/dbraw/zinc/38/88/41/377388841.db2.gz MTYDTVVPXLGIIC-HZPDHXFCSA-N 2 1 296.842 3.101 20 0 CGADMP CCCNc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000248757155 377396264 /nfs/dbraw/zinc/39/62/64/377396264.db2.gz CRWFDDSMMCVEMS-QAPCUYQASA-N 2 1 289.467 3.328 20 0 CGADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)O1 ZINC000248883222 377421120 /nfs/dbraw/zinc/42/11/20/377421120.db2.gz GSCOAAUARSMZKJ-BSDSXHPESA-N 2 1 294.483 3.140 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000563137725 377408547 /nfs/dbraw/zinc/40/85/47/377408547.db2.gz LMQDXVVBJFBOJC-RBUKOAKNSA-N 2 1 286.463 3.249 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000563442445 377468569 /nfs/dbraw/zinc/46/85/69/377468569.db2.gz JCWZISCDHSYBFZ-RTBURBONSA-N 2 1 298.474 3.473 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000249383709 377496837 /nfs/dbraw/zinc/49/68/37/377496837.db2.gz WLBPQJMIMZQERT-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000249383709 377496844 /nfs/dbraw/zinc/49/68/44/377496844.db2.gz WLBPQJMIMZQERT-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP CC[C@@](C)(O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000249424366 377501039 /nfs/dbraw/zinc/50/10/39/377501039.db2.gz XVKPMRMHLPWNNX-SJLPKXTDSA-N 2 1 296.499 3.124 20 0 CGADMP c1cc2c(cc1C[N@H+]1CC[C@@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000162818277 542165414 /nfs/dbraw/zinc/16/54/14/542165414.db2.gz XGPRGMPYWNLWCJ-WMZOPIPTSA-N 2 1 270.420 3.097 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(OCC)c2)CC1 ZINC000037678433 249002409 /nfs/dbraw/zinc/00/24/09/249002409.db2.gz YZOOJECSUQRSOM-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(OC(F)F)cc1C ZINC000469856583 249160471 /nfs/dbraw/zinc/16/04/71/249160471.db2.gz OOMJHCKYGYHVIF-CHWSQXEVSA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(OC(F)F)cc1C ZINC000469856583 249160473 /nfs/dbraw/zinc/16/04/73/249160473.db2.gz OOMJHCKYGYHVIF-CHWSQXEVSA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(OC(F)F)cc1C ZINC000469856591 249160609 /nfs/dbraw/zinc/16/06/09/249160609.db2.gz OOMJHCKYGYHVIF-STQMWFEESA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(OC(F)F)cc1C ZINC000469856591 249160613 /nfs/dbraw/zinc/16/06/13/249160613.db2.gz OOMJHCKYGYHVIF-STQMWFEESA-N 2 1 298.377 3.074 20 0 CGADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000469984653 249165017 /nfs/dbraw/zinc/16/50/17/249165017.db2.gz UIVZEPXAWGUAAX-GFCCVEGCSA-N 2 1 286.341 3.232 20 0 CGADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000469984653 249165018 /nfs/dbraw/zinc/16/50/18/249165018.db2.gz UIVZEPXAWGUAAX-GFCCVEGCSA-N 2 1 286.341 3.232 20 0 CGADMP CCC[N@@H+](C/C=C/c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000469992617 249166074 /nfs/dbraw/zinc/16/60/74/249166074.db2.gz SEJDUWZXXJWZFD-ONEGZZNKSA-N 2 1 276.399 3.303 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000251326999 377580197 /nfs/dbraw/zinc/58/01/97/377580197.db2.gz NGULGRVINLGUNO-IAQYHMDHSA-N 2 1 270.367 3.331 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000251326999 377580201 /nfs/dbraw/zinc/58/02/01/377580201.db2.gz NGULGRVINLGUNO-IAQYHMDHSA-N 2 1 270.367 3.331 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H](Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC000516054596 249224851 /nfs/dbraw/zinc/22/48/51/249224851.db2.gz VLCIWCBZMIUARS-GJZGRUSLSA-N 2 1 287.382 3.081 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000251499212 377585096 /nfs/dbraw/zinc/58/50/96/377585096.db2.gz FLPKOBRCHHZDPD-IHRRRGAJSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000251499212 377585100 /nfs/dbraw/zinc/58/51/00/377585100.db2.gz FLPKOBRCHHZDPD-IHRRRGAJSA-N 2 1 262.372 3.103 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000180131206 542205606 /nfs/dbraw/zinc/20/56/06/542205606.db2.gz ADDPCEMPKFULOD-KBPBESRZSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000180131206 542205608 /nfs/dbraw/zinc/20/56/08/542205608.db2.gz ADDPCEMPKFULOD-KBPBESRZSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000180131206 542205609 /nfs/dbraw/zinc/20/56/09/542205609.db2.gz ADDPCEMPKFULOD-KBPBESRZSA-N 2 1 278.444 3.023 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252392122 377619639 /nfs/dbraw/zinc/61/96/39/377619639.db2.gz SYKFBRHREMIHMV-VGWMRTNUSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252392122 377619641 /nfs/dbraw/zinc/61/96/41/377619641.db2.gz SYKFBRHREMIHMV-VGWMRTNUSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H](C)C1 ZINC000574225140 377637107 /nfs/dbraw/zinc/63/71/07/377637107.db2.gz WBSUKELSBRRLMI-ZIAGYGMSSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000252890931 377669857 /nfs/dbraw/zinc/66/98/57/377669857.db2.gz JDTBKFNTSCXPBX-RDTXWAMCSA-N 2 1 268.404 3.270 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252675162 377649499 /nfs/dbraw/zinc/64/94/99/377649499.db2.gz XOFNCYLHVWMAPA-QWRGUYRKSA-N 2 1 270.829 3.118 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252675162 377649504 /nfs/dbraw/zinc/64/95/04/377649504.db2.gz XOFNCYLHVWMAPA-QWRGUYRKSA-N 2 1 270.829 3.118 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000252764511 377661732 /nfs/dbraw/zinc/66/17/32/377661732.db2.gz HXIHQSSXLHBYQN-ZQIUZPCESA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000252764511 377661741 /nfs/dbraw/zinc/66/17/41/377661741.db2.gz HXIHQSSXLHBYQN-ZQIUZPCESA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252774296 377662492 /nfs/dbraw/zinc/66/24/92/377662492.db2.gz JQWQPTAFXDZHDK-DMDPSCGWSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252774296 377662498 /nfs/dbraw/zinc/66/24/98/377662498.db2.gz JQWQPTAFXDZHDK-DMDPSCGWSA-N 2 1 297.240 3.179 20 0 CGADMP Cc1nccn1CC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574722812 377699283 /nfs/dbraw/zinc/69/92/83/377699283.db2.gz SGHVCPYYYUZZQS-BETUJISGSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574722812 377699288 /nfs/dbraw/zinc/69/92/88/377699288.db2.gz SGHVCPYYYUZZQS-BETUJISGSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574722812 377699293 /nfs/dbraw/zinc/69/92/93/377699293.db2.gz SGHVCPYYYUZZQS-BETUJISGSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261550484 377816050 /nfs/dbraw/zinc/81/60/50/377816050.db2.gz NYZIITZETPNMBM-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000261582483 377821156 /nfs/dbraw/zinc/82/11/56/377821156.db2.gz RGENFEOELDNBJA-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000261582483 377821162 /nfs/dbraw/zinc/82/11/62/377821162.db2.gz RGENFEOELDNBJA-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)ccc2c1 ZINC000261598231 377825510 /nfs/dbraw/zinc/82/55/10/377825510.db2.gz AVNFXRNIJLMCOE-SFHVURJKSA-N 2 1 284.403 3.019 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000261869429 377861790 /nfs/dbraw/zinc/86/17/90/377861790.db2.gz ONWMYAADOBKRDT-BHYGNILZSA-N 2 1 290.476 3.165 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3cnccc32)CC[N@@H+]1C ZINC000183357025 542229632 /nfs/dbraw/zinc/22/96/32/542229632.db2.gz WTHIZKWQKJIOOG-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3cnccc32)CC[N@H+]1C ZINC000183357025 542229638 /nfs/dbraw/zinc/22/96/38/542229638.db2.gz WTHIZKWQKJIOOG-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3cnccc32)CC[NH+]1C ZINC000183357025 542229640 /nfs/dbraw/zinc/22/96/40/542229640.db2.gz WTHIZKWQKJIOOG-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3cnccc32)CC[NH+]1C ZINC000183357025 542229644 /nfs/dbraw/zinc/22/96/44/542229644.db2.gz WTHIZKWQKJIOOG-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261924606 377869531 /nfs/dbraw/zinc/86/95/31/377869531.db2.gz BZSVJIZUPKTPCV-SJORKVTESA-N 2 1 290.476 3.085 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261924606 377869532 /nfs/dbraw/zinc/86/95/32/377869532.db2.gz BZSVJIZUPKTPCV-SJORKVTESA-N 2 1 290.476 3.085 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000261933308 377869994 /nfs/dbraw/zinc/86/99/94/377869994.db2.gz LTHUIQQOASRBQD-AWEZNQCLSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000261933308 377869999 /nfs/dbraw/zinc/86/99/99/377869999.db2.gz LTHUIQQOASRBQD-AWEZNQCLSA-N 2 1 284.806 3.443 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000261941765 377871851 /nfs/dbraw/zinc/87/18/51/377871851.db2.gz DTEVYZFTAWYMLH-KBAYOESNSA-N 2 1 272.436 3.112 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]2C ZINC000261988584 377876103 /nfs/dbraw/zinc/87/61/03/377876103.db2.gz SBZQRZUGMHAGDC-KKUMJFAQSA-N 2 1 288.435 3.002 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262070075 377884848 /nfs/dbraw/zinc/88/48/48/377884848.db2.gz RZLVZHQDFCEVMB-SFHVURJKSA-N 2 1 282.387 3.132 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262070075 377884853 /nfs/dbraw/zinc/88/48/53/377884853.db2.gz RZLVZHQDFCEVMB-SFHVURJKSA-N 2 1 282.387 3.132 20 0 CGADMP CCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000262089189 377887220 /nfs/dbraw/zinc/88/72/20/377887220.db2.gz UPIPHJOTHQTQDF-QZTJIDSGSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000262215213 377890084 /nfs/dbraw/zinc/89/00/84/377890084.db2.gz MBVCXJGFNNNFLT-MOPGFXCFSA-N 2 1 280.415 3.169 20 0 CGADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261733142 377846905 /nfs/dbraw/zinc/84/69/05/377846905.db2.gz HMXIWFXMVZZZFR-GOSISDBHSA-N 2 1 274.452 3.187 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261749287 377849263 /nfs/dbraw/zinc/84/92/63/377849263.db2.gz CCPFOZCXUSFNAY-HNNXBMFYSA-N 2 1 288.435 3.036 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]C1 ZINC000261778766 377853198 /nfs/dbraw/zinc/85/31/98/377853198.db2.gz NQUASGYBEOSAPG-HOTGVXAUSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]C1 ZINC000261778766 377853205 /nfs/dbraw/zinc/85/32/05/377853205.db2.gz NQUASGYBEOSAPG-HOTGVXAUSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261787741 377853257 /nfs/dbraw/zinc/85/32/57/377853257.db2.gz URPWDYLWDZZOGC-MJGOQNOKSA-N 2 1 298.405 3.308 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261834711 377859663 /nfs/dbraw/zinc/85/96/63/377859663.db2.gz UYMUDZOOWAPQMM-ZWKOTPCHSA-N 2 1 272.436 3.069 20 0 CGADMP CCC[N@H+]1CC[C@H](CNCc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000263255739 377923323 /nfs/dbraw/zinc/92/33/23/377923323.db2.gz QPBHOBMPJKFRLW-FMKPAKJESA-N 2 1 276.424 3.225 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000263255739 377923325 /nfs/dbraw/zinc/92/33/25/377923325.db2.gz QPBHOBMPJKFRLW-FMKPAKJESA-N 2 1 276.424 3.225 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000263255739 377923329 /nfs/dbraw/zinc/92/33/29/377923329.db2.gz QPBHOBMPJKFRLW-FMKPAKJESA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575427696 377908157 /nfs/dbraw/zinc/90/81/57/377908157.db2.gz YRDLYRNJPVSOOC-HUUCEWRRSA-N 2 1 277.456 3.499 20 0 CGADMP C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000575427696 377908165 /nfs/dbraw/zinc/90/81/65/377908165.db2.gz YRDLYRNJPVSOOC-HUUCEWRRSA-N 2 1 277.456 3.499 20 0 CGADMP CC(C)[NH2+]C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000266349812 378019004 /nfs/dbraw/zinc/01/90/04/378019004.db2.gz JFLVXAWJHPITPB-UHFFFAOYSA-N 2 1 275.421 3.263 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268791999 378112491 /nfs/dbraw/zinc/11/24/91/378112491.db2.gz GKTMTZUBYMOAKI-AHCXZYCDSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268791999 378112494 /nfs/dbraw/zinc/11/24/94/378112494.db2.gz GKTMTZUBYMOAKI-AHCXZYCDSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000268849207 378130282 /nfs/dbraw/zinc/13/02/82/378130282.db2.gz XRZAXFALLXIOTR-NSHDSACASA-N 2 1 295.333 3.144 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc2c(c1)CCO2 ZINC000268905299 378148967 /nfs/dbraw/zinc/14/89/67/378148967.db2.gz XQOMMRARCGFHGV-QGZVFWFLSA-N 2 1 299.418 3.257 20 0 CGADMP CCC(CC)[C@@H](NC[C@@H](O)C[N@@H+](C)CC)c1cccs1 ZINC000579854885 378202971 /nfs/dbraw/zinc/20/29/71/378202971.db2.gz OBDIMPZDNUKRJI-GDBMZVCRSA-N 2 1 298.496 3.128 20 0 CGADMP CCC(CC)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1cccs1 ZINC000579854885 378202979 /nfs/dbraw/zinc/20/29/79/378202979.db2.gz OBDIMPZDNUKRJI-GDBMZVCRSA-N 2 1 298.496 3.128 20 0 CGADMP CCC(CC)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1cccs1 ZINC000579854885 378202983 /nfs/dbraw/zinc/20/29/83/378202983.db2.gz OBDIMPZDNUKRJI-GDBMZVCRSA-N 2 1 298.496 3.128 20 0 CGADMP CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000579887006 378204020 /nfs/dbraw/zinc/20/40/20/378204020.db2.gz KZBIRLPUDODAFX-CHWSQXEVSA-N 2 1 281.469 3.039 20 0 CGADMP CCc1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000345177387 378214411 /nfs/dbraw/zinc/21/44/11/378214411.db2.gz HWFBPBRRGDYAFB-QGZVFWFLSA-N 2 1 260.425 3.213 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000580015697 378217279 /nfs/dbraw/zinc/21/72/79/378217279.db2.gz XASJDADXPIGPFW-ZDUSSCGKSA-N 2 1 298.833 3.295 20 0 CGADMP Cc1nc2ccc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)cc2s1 ZINC000579664502 378181683 /nfs/dbraw/zinc/18/16/83/378181683.db2.gz ZQHKIUNZSMMUNE-CQSZACIVSA-N 2 1 289.448 3.036 20 0 CGADMP CC[N@@H+](Cc1cc(F)ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345214063 378225254 /nfs/dbraw/zinc/22/52/54/378225254.db2.gz WBLFEKWGVVPUOL-INIZCTEOSA-N 2 1 264.388 3.098 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000270904789 378412340 /nfs/dbraw/zinc/41/23/40/378412340.db2.gz RYXGIPXQSYRHIP-UHFFFAOYSA-N 2 1 287.382 3.038 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000270904789 378412347 /nfs/dbraw/zinc/41/23/47/378412347.db2.gz RYXGIPXQSYRHIP-UHFFFAOYSA-N 2 1 287.382 3.038 20 0 CGADMP COc1ccccc1[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000270619183 378376504 /nfs/dbraw/zinc/37/65/04/378376504.db2.gz JRGWPFPVNYKJTQ-MRXNPFEDSA-N 2 1 299.418 3.080 20 0 CGADMP COc1ccccc1[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000270619183 378376508 /nfs/dbraw/zinc/37/65/08/378376508.db2.gz JRGWPFPVNYKJTQ-MRXNPFEDSA-N 2 1 299.418 3.080 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000270623940 378378107 /nfs/dbraw/zinc/37/81/07/378378107.db2.gz DXRUBYJBQXDJPV-WBVHZDCISA-N 2 1 283.419 3.378 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000270623940 378378109 /nfs/dbraw/zinc/37/81/09/378378109.db2.gz DXRUBYJBQXDJPV-WBVHZDCISA-N 2 1 283.419 3.378 20 0 CGADMP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2C)C(C)C)s1 ZINC000270642622 378381195 /nfs/dbraw/zinc/38/11/95/378381195.db2.gz JPIYNWPJQZOVCI-UHFFFAOYSA-N 2 1 277.437 3.472 20 0 CGADMP Cc1ccc(C[N@H+](CCn2cc[nH+]c2C)C(C)C)s1 ZINC000270642622 378381199 /nfs/dbraw/zinc/38/11/99/378381199.db2.gz JPIYNWPJQZOVCI-UHFFFAOYSA-N 2 1 277.437 3.472 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CCn1ccnc1C ZINC000270664094 378383865 /nfs/dbraw/zinc/38/38/65/378383865.db2.gz PNJWMLNTVKTTOI-QGZVFWFLSA-N 2 1 271.408 3.145 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+](C)CCn1cc[nH+]c1C ZINC000270664094 378383874 /nfs/dbraw/zinc/38/38/74/378383874.db2.gz PNJWMLNTVKTTOI-QGZVFWFLSA-N 2 1 271.408 3.145 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000270664094 378383877 /nfs/dbraw/zinc/38/38/77/378383877.db2.gz PNJWMLNTVKTTOI-QGZVFWFLSA-N 2 1 271.408 3.145 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000584433964 378384222 /nfs/dbraw/zinc/38/42/22/378384222.db2.gz XSRSKYRHUCNLAE-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000584433964 378384228 /nfs/dbraw/zinc/38/42/28/378384228.db2.gz XSRSKYRHUCNLAE-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000584433964 378384231 /nfs/dbraw/zinc/38/42/31/378384231.db2.gz XSRSKYRHUCNLAE-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000270683470 378388081 /nfs/dbraw/zinc/38/80/81/378388081.db2.gz VAFFTEZODQVTPY-CJNGLKHVSA-N 2 1 287.407 3.430 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000270683470 378388087 /nfs/dbraw/zinc/38/80/87/378388087.db2.gz VAFFTEZODQVTPY-CJNGLKHVSA-N 2 1 287.407 3.430 20 0 CGADMP CC[C@@H](C)C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346134036 378475859 /nfs/dbraw/zinc/47/58/59/378475859.db2.gz DZSFWMJPCFVHNU-CYBMUJFWSA-N 2 1 272.396 3.054 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271904015 378511335 /nfs/dbraw/zinc/51/13/35/378511335.db2.gz WCSHUELDYVTRBS-FZKQIMNGSA-N 2 1 288.410 3.301 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000346276621 378530483 /nfs/dbraw/zinc/53/04/83/378530483.db2.gz LNXSHUFSRFUAAI-QAPCUYQASA-N 2 1 283.419 3.317 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000346276621 378530486 /nfs/dbraw/zinc/53/04/86/378530486.db2.gz LNXSHUFSRFUAAI-QAPCUYQASA-N 2 1 283.419 3.317 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000346592843 378636927 /nfs/dbraw/zinc/63/69/27/378636927.db2.gz KFBVMOQLHDEQLX-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000346592843 378636931 /nfs/dbraw/zinc/63/69/31/378636931.db2.gz KFBVMOQLHDEQLX-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+]Cc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272252847 378596414 /nfs/dbraw/zinc/59/64/14/378596414.db2.gz YORKZKRLCWIIMJ-APWZRJJASA-N 2 1 295.430 3.082 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638001657 378666030 /nfs/dbraw/zinc/66/60/30/378666030.db2.gz XBMKSABEHXRGHK-UHFFFAOYSA-N 2 1 290.451 3.306 20 0 CGADMP C[N@@H+](Cc1cccc(-c2cccnc2)c1)CC(C)(C)C[NH3+] ZINC000346692720 378677237 /nfs/dbraw/zinc/67/72/37/378677237.db2.gz IMKXWSBRIJONHA-UHFFFAOYSA-N 2 1 283.419 3.165 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346956081 378698217 /nfs/dbraw/zinc/69/82/17/378698217.db2.gz BXXINPYDEWFPRA-WBVHZDCISA-N 2 1 290.476 3.085 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346956081 378698225 /nfs/dbraw/zinc/69/82/25/378698225.db2.gz BXXINPYDEWFPRA-WBVHZDCISA-N 2 1 290.476 3.085 20 0 CGADMP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347938373 378734560 /nfs/dbraw/zinc/73/45/60/378734560.db2.gz SGVIZSOGXNJOGT-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000346994626 378703682 /nfs/dbraw/zinc/70/36/82/378703682.db2.gz UQHLLSOAXLKXLC-YQQAZPJKSA-N 2 1 290.476 3.165 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3ncccc23)CC[N@@H+]1C ZINC000638116203 378705514 /nfs/dbraw/zinc/70/55/14/378705514.db2.gz HZHXEIPYOMMDQJ-GDBMZVCRSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3ncccc23)CC[N@H+]1C ZINC000638116203 378705518 /nfs/dbraw/zinc/70/55/18/378705518.db2.gz HZHXEIPYOMMDQJ-GDBMZVCRSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3ncccc23)CC[NH+]1C ZINC000638116203 378705522 /nfs/dbraw/zinc/70/55/22/378705522.db2.gz HZHXEIPYOMMDQJ-GDBMZVCRSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3ncccc23)CC[NH+]1C ZINC000638116203 378705526 /nfs/dbraw/zinc/70/55/26/378705526.db2.gz HZHXEIPYOMMDQJ-GDBMZVCRSA-N 2 1 283.419 3.149 20 0 CGADMP CC(C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638324662 378770813 /nfs/dbraw/zinc/77/08/13/378770813.db2.gz SCGBAUFFQOXQLM-DOTOQJQBSA-N 2 1 258.409 3.353 20 0 CGADMP CC(C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638324662 378770816 /nfs/dbraw/zinc/77/08/16/378770816.db2.gz SCGBAUFFQOXQLM-DOTOQJQBSA-N 2 1 258.409 3.353 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638324663 378770877 /nfs/dbraw/zinc/77/08/77/378770877.db2.gz SCGBAUFFQOXQLM-NVXWUHKLSA-N 2 1 258.409 3.353 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638324663 378770883 /nfs/dbraw/zinc/77/08/83/378770883.db2.gz SCGBAUFFQOXQLM-NVXWUHKLSA-N 2 1 258.409 3.353 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000638335900 378772000 /nfs/dbraw/zinc/77/20/00/378772000.db2.gz XPWGIYXWUNCCNK-DOTOQJQBSA-N 2 1 297.446 3.222 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CC1(F)F ZINC000638367001 378780199 /nfs/dbraw/zinc/78/01/99/378780199.db2.gz RMBXBHPZKLELTF-HZSPNIEDSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CC1(F)F ZINC000638367004 378780842 /nfs/dbraw/zinc/78/08/42/378780842.db2.gz RMBXBHPZKLELTF-MELADBBJSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(F)cc1F ZINC000348083713 378783634 /nfs/dbraw/zinc/78/36/34/378783634.db2.gz QKXKABJNUTYAES-UHFFFAOYSA-N 2 1 293.361 3.382 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(F)cc1F ZINC000348083713 378783638 /nfs/dbraw/zinc/78/36/38/378783638.db2.gz QKXKABJNUTYAES-UHFFFAOYSA-N 2 1 293.361 3.382 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348241544 378858945 /nfs/dbraw/zinc/85/89/45/378858945.db2.gz JJGZBVDGGYWQOZ-DLBZAZTESA-N 2 1 260.425 3.112 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348241544 378858949 /nfs/dbraw/zinc/85/89/49/378858949.db2.gz JJGZBVDGGYWQOZ-DLBZAZTESA-N 2 1 260.425 3.112 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(C)n1 ZINC000346872304 218043656 /nfs/dbraw/zinc/04/36/56/218043656.db2.gz GJKHZUKELPQDDK-KGLIPLIRSA-N 2 1 290.455 3.009 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638770002 378908033 /nfs/dbraw/zinc/90/80/33/378908033.db2.gz ZNTLVHKAITXLEJ-KSSFIOAISA-N 2 1 299.418 3.400 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000347002330 218087666 /nfs/dbraw/zinc/08/76/66/218087666.db2.gz JETAUIUJKHCGOB-RHSMWYFYSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Cl)c1 ZINC000275217109 378950068 /nfs/dbraw/zinc/95/00/68/378950068.db2.gz BYXQQUHBUMIMSP-IUODEOHRSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Cl)c1 ZINC000275217109 378950073 /nfs/dbraw/zinc/95/00/73/378950073.db2.gz BYXQQUHBUMIMSP-IUODEOHRSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Cl)c1 ZINC000275217109 378950082 /nfs/dbraw/zinc/95/00/82/378950082.db2.gz BYXQQUHBUMIMSP-IUODEOHRSA-N 2 1 266.816 3.112 20 0 CGADMP CSc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275303969 378956011 /nfs/dbraw/zinc/95/60/11/378956011.db2.gz QOZKLYDOQVTRIM-CZUORRHYSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275303969 378956016 /nfs/dbraw/zinc/95/60/16/378956016.db2.gz QOZKLYDOQVTRIM-CZUORRHYSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275303969 378956019 /nfs/dbraw/zinc/95/60/19/378956019.db2.gz QOZKLYDOQVTRIM-CZUORRHYSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275303969 378956022 /nfs/dbraw/zinc/95/60/22/378956022.db2.gz QOZKLYDOQVTRIM-CZUORRHYSA-N 2 1 278.465 3.181 20 0 CGADMP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638968497 378961253 /nfs/dbraw/zinc/96/12/53/378961253.db2.gz AXEXMBOZDQBPLX-YQQAZPJKSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347014896 218092725 /nfs/dbraw/zinc/09/27/25/218092725.db2.gz ANLJHDGWHHASJW-BEFAXECRSA-N 2 1 295.430 3.450 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347014896 218092727 /nfs/dbraw/zinc/09/27/27/218092727.db2.gz ANLJHDGWHHASJW-BEFAXECRSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347101541 218121053 /nfs/dbraw/zinc/12/10/53/218121053.db2.gz KXFMGOSOZPPBIR-PBWFPOADSA-N 2 1 296.361 3.003 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)CCC1 ZINC000429446983 284735183 /nfs/dbraw/zinc/73/51/83/284735183.db2.gz HGIRWOBZARSDQJ-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000347180594 218147377 /nfs/dbraw/zinc/14/73/77/218147377.db2.gz UZOBCJQRJZHKOD-NVXWUHKLSA-N 2 1 260.425 3.241 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347187670 218149988 /nfs/dbraw/zinc/14/99/88/218149988.db2.gz CJINYNPAOPSWEB-CABCVRRESA-N 2 1 276.424 3.033 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCC(F)(F)F)CC[C@H]21 ZINC000370962000 379091709 /nfs/dbraw/zinc/09/17/09/379091709.db2.gz YTSLYVPOQGLSQW-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCC(F)(F)F)CC[C@H]21 ZINC000370962000 379091721 /nfs/dbraw/zinc/09/17/21/379091721.db2.gz YTSLYVPOQGLSQW-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCC(F)(F)F)CC[C@H]21 ZINC000370962000 379091730 /nfs/dbraw/zinc/09/17/30/379091730.db2.gz YTSLYVPOQGLSQW-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277231270 379104185 /nfs/dbraw/zinc/10/41/85/379104185.db2.gz OTGDNCZZUZQCMX-MRXNPFEDSA-N 2 1 260.425 3.220 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C)cn1 ZINC000348959795 379121251 /nfs/dbraw/zinc/12/12/51/379121251.db2.gz AQISDOATXCQWHE-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2c(C)cccc2C)CC1 ZINC000355066728 227364460 /nfs/dbraw/zinc/36/44/60/227364460.db2.gz VLDGCEJINOHQFV-INIZCTEOSA-N 2 1 290.451 3.065 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(O)c(C)c1 ZINC000349359768 379246528 /nfs/dbraw/zinc/24/65/28/379246528.db2.gz ZZSLPGJVFCXNRG-UHFFFAOYSA-N 2 1 278.440 3.173 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2c(c1)CCO2 ZINC000349368237 379254353 /nfs/dbraw/zinc/25/43/53/379254353.db2.gz NQTQHSBHDBDSSV-UHFFFAOYSA-N 2 1 290.451 3.175 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2c(c1)CCO2 ZINC000349368237 379254362 /nfs/dbraw/zinc/25/43/62/379254362.db2.gz NQTQHSBHDBDSSV-UHFFFAOYSA-N 2 1 290.451 3.175 20 0 CGADMP C([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639338324 379292243 /nfs/dbraw/zinc/29/22/43/379292243.db2.gz UDLMIQGBPROJEJ-ZJPYXAASSA-N 2 1 276.468 3.134 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OCC2CC2)cc1 ZINC000349385800 379264106 /nfs/dbraw/zinc/26/41/06/379264106.db2.gz ROHKJISYOBKQFL-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC2CC2)cc1 ZINC000349385800 379264115 /nfs/dbraw/zinc/26/41/15/379264115.db2.gz ROHKJISYOBKQFL-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)c(Cl)c1 ZINC000349405046 379266241 /nfs/dbraw/zinc/26/62/41/379266241.db2.gz HAWFZTJDPDVHLF-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c(Cl)c1 ZINC000349405046 379266254 /nfs/dbraw/zinc/26/62/54/379266254.db2.gz HAWFZTJDPDVHLF-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000349411432 379271645 /nfs/dbraw/zinc/27/16/45/379271645.db2.gz WZSNSHNJJWATMI-IAGOWNOFSA-N 2 1 260.425 3.064 20 0 CGADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000349644855 379329211 /nfs/dbraw/zinc/32/92/11/379329211.db2.gz IWHRXUWDMSNNJC-BBRMVZONSA-N 2 1 278.465 3.228 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000349644857 379329817 /nfs/dbraw/zinc/32/98/17/379329817.db2.gz IWHRXUWDMSNNJC-CZUORRHYSA-N 2 1 278.465 3.228 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(F)c1F ZINC000278916517 194210542 /nfs/dbraw/zinc/21/05/42/194210542.db2.gz HJGWPYSRVJSXFN-VXGBXAGGSA-N 2 1 291.345 3.075 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000278345166 379355482 /nfs/dbraw/zinc/35/54/82/379355482.db2.gz YCAIUNXZXGBYCR-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000374481668 379445971 /nfs/dbraw/zinc/44/59/71/379445971.db2.gz OLEJBZBUAHWRJQ-BZZMCLGOSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000374481668 379445981 /nfs/dbraw/zinc/44/59/81/379445981.db2.gz OLEJBZBUAHWRJQ-BZZMCLGOSA-N 2 1 272.436 3.395 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2sccc2OC)CC1 ZINC000349824615 379404537 /nfs/dbraw/zinc/40/45/37/379404537.db2.gz ZXEJITJBZLMPNC-GFCCVEGCSA-N 2 1 282.453 3.282 20 0 CGADMP C[C@@H](CC1CCOCC1)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000349969395 379466647 /nfs/dbraw/zinc/46/66/47/379466647.db2.gz ICGJWBGUJBISFT-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H](CC1CCOCC1)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000349969395 379466663 /nfs/dbraw/zinc/46/66/63/379466663.db2.gz ICGJWBGUJBISFT-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000570058877 322264026 /nfs/dbraw/zinc/26/40/26/322264026.db2.gz KONHQRJUTSULDV-YLFCFFPRSA-N 2 1 264.457 3.275 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000280103933 379606035 /nfs/dbraw/zinc/60/60/35/379606035.db2.gz APJYFEGZHNSJAK-PBHICJAKSA-N 2 1 276.399 3.146 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639929165 379653411 /nfs/dbraw/zinc/65/34/11/379653411.db2.gz KWOONTDKDZMOIP-OAHLLOKOSA-N 2 1 273.380 3.029 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639929165 379653419 /nfs/dbraw/zinc/65/34/19/379653419.db2.gz KWOONTDKDZMOIP-OAHLLOKOSA-N 2 1 273.380 3.029 20 0 CGADMP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000267186711 190309923 /nfs/dbraw/zinc/30/99/23/190309923.db2.gz CRFWTWFCUQJDTD-GFCCVEGCSA-N 2 1 275.421 3.074 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000267186711 190309924 /nfs/dbraw/zinc/30/99/24/190309924.db2.gz CRFWTWFCUQJDTD-GFCCVEGCSA-N 2 1 275.421 3.074 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000351331697 379713673 /nfs/dbraw/zinc/71/36/73/379713673.db2.gz SFBKINOAWPZYEC-CYBMUJFWSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000351331697 379713687 /nfs/dbraw/zinc/71/36/87/379713687.db2.gz SFBKINOAWPZYEC-CYBMUJFWSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000280815551 379798098 /nfs/dbraw/zinc/79/80/98/379798098.db2.gz MQISVUWMNVEFET-ODVANORSSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC[N@H+]1C ZINC000280815551 379798100 /nfs/dbraw/zinc/79/81/00/379798100.db2.gz MQISVUWMNVEFET-ODVANORSSA-N 2 1 276.399 3.144 20 0 CGADMP Cc1ccncc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000280833957 379804100 /nfs/dbraw/zinc/80/41/00/379804100.db2.gz JXYKWGADMBXLHN-QGZVFWFLSA-N 2 1 297.446 3.390 20 0 CGADMP Cc1ccncc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000280833957 379804106 /nfs/dbraw/zinc/80/41/06/379804106.db2.gz JXYKWGADMBXLHN-QGZVFWFLSA-N 2 1 297.446 3.390 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](CC3CCC(c4ccccc4)CC3)C[C@@H]2C1 ZINC000193614234 542272707 /nfs/dbraw/zinc/27/27/07/542272707.db2.gz MKKTXAZSFKEIRO-WHUJAJFLSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCC(c4ccccc4)CC3)C[C@@H]2C1 ZINC000193614234 542272709 /nfs/dbraw/zinc/27/27/09/542272709.db2.gz MKKTXAZSFKEIRO-WHUJAJFLSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCC(c4ccccc4)CC3)C[C@@H]2C1 ZINC000193614234 542272711 /nfs/dbraw/zinc/27/27/11/542272711.db2.gz MKKTXAZSFKEIRO-WHUJAJFLSA-N 2 1 298.474 3.454 20 0 CGADMP Cc1ccncc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533509 379819767 /nfs/dbraw/zinc/81/97/67/379819767.db2.gz UAAJYFGLQNEJPH-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP Cc1noc(C)c1CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532615 379820168 /nfs/dbraw/zinc/82/01/68/379820168.db2.gz HCAVYZRDTBBSEY-UHFFFAOYSA-N 2 1 293.455 3.032 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398167663 379929050 /nfs/dbraw/zinc/92/90/50/379929050.db2.gz HGAPJXULFHTXNB-XYVMCAHJSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398167663 379929054 /nfs/dbraw/zinc/92/90/54/379929054.db2.gz HGAPJXULFHTXNB-XYVMCAHJSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H](F)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352821296 379980498 /nfs/dbraw/zinc/98/04/98/379980498.db2.gz ANPWQYDESYJACZ-SJLPKXTDSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@H](F)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352821296 379980500 /nfs/dbraw/zinc/98/05/00/379980500.db2.gz ANPWQYDESYJACZ-SJLPKXTDSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@H](F)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352821296 379980501 /nfs/dbraw/zinc/98/05/01/379980501.db2.gz ANPWQYDESYJACZ-SJLPKXTDSA-N 2 1 290.426 3.333 20 0 CGADMP CCCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1 ZINC000352754134 379939980 /nfs/dbraw/zinc/93/99/80/379939980.db2.gz GOZSOZCNYPFNKH-UHFFFAOYSA-N 2 1 281.469 3.265 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000399863904 379946566 /nfs/dbraw/zinc/94/65/66/379946566.db2.gz FEUUYMOYXHBAHY-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000399863904 379946575 /nfs/dbraw/zinc/94/65/75/379946575.db2.gz FEUUYMOYXHBAHY-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H](C)C1 ZINC000352781492 379955812 /nfs/dbraw/zinc/95/58/12/379955812.db2.gz ZOXSPPSKROHQAN-DYEKYZERSA-N 2 1 281.469 3.119 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(SC)s2)CC1 ZINC000352841891 379997565 /nfs/dbraw/zinc/99/75/65/379997565.db2.gz TWIQNSIJTNITPE-UHFFFAOYSA-N 2 1 284.494 3.434 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cscc1C(F)(F)F ZINC000352854121 380005427 /nfs/dbraw/zinc/00/54/27/380005427.db2.gz QCNLZTJYSWKOEV-UHFFFAOYSA-N 2 1 289.326 3.062 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000352972966 380061405 /nfs/dbraw/zinc/06/14/05/380061405.db2.gz ZMCUZIOEDCJRPD-TVFCKZIOSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641732664 380067966 /nfs/dbraw/zinc/06/79/66/380067966.db2.gz JRVIDCIZTHNSLT-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410391864 380093804 /nfs/dbraw/zinc/09/38/04/380093804.db2.gz NFIGOXWHLBHOQF-NVXWUHKLSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353086838 380109515 /nfs/dbraw/zinc/10/95/15/380109515.db2.gz XGLPQRHTKBYKGA-HUUCEWRRSA-N 2 1 275.440 3.454 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2oc(-c3ccccc3)nc2C)CC[C@H]1[NH3+] ZINC000641800373 380111259 /nfs/dbraw/zinc/11/12/59/380111259.db2.gz ZRZVJFLNTXJEST-GDBMZVCRSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353171255 380151850 /nfs/dbraw/zinc/15/18/50/380151850.db2.gz HREARWDNDPTNJC-CYBMUJFWSA-N 2 1 297.406 3.199 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000353944562 380247501 /nfs/dbraw/zinc/24/75/01/380247501.db2.gz KQAMFYXNRNQSGK-LBPRGKRZSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000353945811 380247668 /nfs/dbraw/zinc/24/76/68/380247668.db2.gz RXTIELCMMCEMKV-QGZVFWFLSA-N 2 1 289.467 3.177 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC[N@@H+]1C ZINC000414300710 380209744 /nfs/dbraw/zinc/20/97/44/380209744.db2.gz LCKMUBSTBHUBQE-APIJFGDWSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC[N@H+]1C ZINC000414300710 380209747 /nfs/dbraw/zinc/20/97/47/380209747.db2.gz LCKMUBSTBHUBQE-APIJFGDWSA-N 2 1 252.446 3.274 20 0 CGADMP COC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353593384 380214727 /nfs/dbraw/zinc/21/47/27/380214727.db2.gz KUJDILWJNVLMJU-XTJLLSPMSA-N 2 1 294.483 3.044 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000643499007 380321151 /nfs/dbraw/zinc/32/11/51/380321151.db2.gz KWNZDUQOXCOJAX-OAHLLOKOSA-N 2 1 250.386 3.018 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000354101119 380324761 /nfs/dbraw/zinc/32/47/61/380324761.db2.gz QUSXGCRMSYOKDB-ZDUSSCGKSA-N 2 1 282.815 3.097 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(-c2ccncc2)c1 ZINC000643512597 380333222 /nfs/dbraw/zinc/33/32/22/380333222.db2.gz HFYRSYNMWWZWFK-UGSOOPFHSA-N 2 1 281.403 3.137 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cscc2Cl)C[C@@H]1C[NH3+] ZINC000643427664 380304754 /nfs/dbraw/zinc/30/47/54/380304754.db2.gz SWENSPXZLBLNEC-MXWKQRLJSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cscc2Cl)C[C@@H]1C[NH3+] ZINC000643427664 380304760 /nfs/dbraw/zinc/30/47/60/380304760.db2.gz SWENSPXZLBLNEC-MXWKQRLJSA-N 2 1 272.845 3.207 20 0 CGADMP CC1(C)CCC[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000643427486 380305493 /nfs/dbraw/zinc/30/54/93/380305493.db2.gz NKUMPGNHACXCCF-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000643467480 380315676 /nfs/dbraw/zinc/31/56/76/380315676.db2.gz KCYZXAVLFUQCTL-ZWKOTPCHSA-N 2 1 282.387 3.238 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414673144 380365465 /nfs/dbraw/zinc/36/54/65/380365465.db2.gz BVWSYZYPWRGVKB-CHWSQXEVSA-N 2 1 296.842 3.169 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2c(F)cccc2Cl)CC[NH2+]1 ZINC000414673541 380366110 /nfs/dbraw/zinc/36/61/10/380366110.db2.gz COJDNZWIFRGORP-NEPJUHHUSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414676567 380368047 /nfs/dbraw/zinc/36/80/47/380368047.db2.gz NVOJCEDLFXQRKE-ZBFHGGJFSA-N 2 1 278.415 3.424 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414682090 380371422 /nfs/dbraw/zinc/37/14/22/380371422.db2.gz XQWGSKULYIYFBI-GOEBONIOSA-N 2 1 278.415 3.426 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414707356 380382156 /nfs/dbraw/zinc/38/21/56/380382156.db2.gz HSBAUFWLZCTSGF-GOSISDBHSA-N 3 1 297.531 3.194 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccccc1-c1ccccc1 ZINC000414717519 380385695 /nfs/dbraw/zinc/38/56/95/380385695.db2.gz ZPAMZROFJIFXRK-UHFFFAOYSA-N 2 1 254.377 3.134 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414741775 380391524 /nfs/dbraw/zinc/39/15/24/380391524.db2.gz LBPTVIRNPZZAHA-ZIAGYGMSSA-N 2 1 278.465 3.228 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414751248 380393124 /nfs/dbraw/zinc/39/31/24/380393124.db2.gz IIVVXZSDZXMBEH-JKSUJKDBSA-N 2 1 260.425 3.123 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000643526620 380342183 /nfs/dbraw/zinc/34/21/83/380342183.db2.gz CMGJOMUOLYPZAU-RYUDHWBXSA-N 2 1 260.406 3.413 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OCCC ZINC000643526237 380342375 /nfs/dbraw/zinc/34/23/75/380342375.db2.gz VUZXQCLUQSSCAZ-KGLIPLIRSA-N 2 1 294.439 3.262 20 0 CGADMP CCCCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526311 380342837 /nfs/dbraw/zinc/34/28/37/380342837.db2.gz ZACOQCCVHDKHHF-KGLIPLIRSA-N 2 1 264.413 3.253 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000643528401 380344629 /nfs/dbraw/zinc/34/46/29/380344629.db2.gz IUYNQGJQRVRQSJ-KGLIPLIRSA-N 2 1 254.377 3.351 20 0 CGADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643529227 380346309 /nfs/dbraw/zinc/34/63/09/380346309.db2.gz XCVFBDISQDGJRP-CZUORRHYSA-N 2 1 264.413 3.109 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(Br)c1 ZINC000414818114 380429707 /nfs/dbraw/zinc/42/97/07/380429707.db2.gz UUILCFJRMVGIFS-CYBMUJFWSA-N 2 1 285.229 3.056 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414832998 380441715 /nfs/dbraw/zinc/44/17/15/380441715.db2.gz RVUYCGSSVMWYOX-ZIAGYGMSSA-N 2 1 286.341 3.151 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000414841090 380447986 /nfs/dbraw/zinc/44/79/86/380447986.db2.gz YVPZNIIUVVAWKK-ULKQDVFKSA-N 2 1 290.354 3.140 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc3ccccc3o2)CCCCC1 ZINC000414843853 380449675 /nfs/dbraw/zinc/44/96/75/380449675.db2.gz OTHMJVAQLXUXIB-UHFFFAOYSA-N 2 1 258.365 3.184 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414852842 380455395 /nfs/dbraw/zinc/45/53/95/380455395.db2.gz WOKKFCFAPKCVBU-HUUCEWRRSA-N 2 1 266.816 3.175 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414784548 380403096 /nfs/dbraw/zinc/40/30/96/380403096.db2.gz RKZPRVMMNMYNCD-XWSJACJDSA-N 2 1 284.447 3.112 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414784186 380403369 /nfs/dbraw/zinc/40/33/69/380403369.db2.gz QWIJCSBEEIZSIM-HZPDHXFCSA-N 2 1 292.854 3.470 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414782744 380403544 /nfs/dbraw/zinc/40/35/44/380403544.db2.gz OTXGEEJYGYEILN-UONOGXRCSA-N 2 1 293.480 3.088 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414787731 380405288 /nfs/dbraw/zinc/40/52/88/380405288.db2.gz CMFSYQBUDZVHIR-HNNXBMFYSA-N 2 1 274.433 3.488 20 0 CGADMP [NH3+]C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CCCCC1 ZINC000414854092 380456078 /nfs/dbraw/zinc/45/60/78/380456078.db2.gz UIVLZRAVSCPEDU-BZSNNMDCSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414801384 380414458 /nfs/dbraw/zinc/41/44/58/380414458.db2.gz JERJOSGYESCADB-UHFFFAOYSA-N 2 1 260.406 3.242 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000414802682 380416427 /nfs/dbraw/zinc/41/64/27/380416427.db2.gz LDUSMOUYONHEMO-UHFFFAOYSA-N 2 1 264.413 3.081 20 0 CGADMP C[C@@H](C[NH2+][C@H](C)C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000414939577 380497693 /nfs/dbraw/zinc/49/76/93/380497693.db2.gz YZXMXDLHZGQALM-ZIAGYGMSSA-N 2 1 262.441 3.100 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414948868 380501667 /nfs/dbraw/zinc/50/16/67/380501667.db2.gz YJZDGWJATFZASG-ZLKJLUDKSA-N 2 1 286.341 3.278 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000415053989 380506706 /nfs/dbraw/zinc/50/67/06/380506706.db2.gz PHYVFVBCOGSABY-ZBFHGGJFSA-N 2 1 278.465 3.329 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414876237 380470088 /nfs/dbraw/zinc/47/00/88/380470088.db2.gz KHQOPBIUVVQNGL-NVXWUHKLSA-N 2 1 275.440 3.120 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000355110130 380578157 /nfs/dbraw/zinc/57/81/57/380578157.db2.gz BGZUXWMZQMHSTB-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000355110130 380578165 /nfs/dbraw/zinc/57/81/65/380578165.db2.gz BGZUXWMZQMHSTB-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000355110134 380578402 /nfs/dbraw/zinc/57/84/02/380578402.db2.gz BGZUXWMZQMHSTB-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000355110134 380578407 /nfs/dbraw/zinc/57/84/07/380578407.db2.gz BGZUXWMZQMHSTB-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421323635 380874158 /nfs/dbraw/zinc/87/41/58/380874158.db2.gz ITCNHUHAENRGDI-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000420315073 380848168 /nfs/dbraw/zinc/84/81/68/380848168.db2.gz ZOFJTNTUTWCVAO-CKEIUWERSA-N 2 1 276.399 3.208 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420323385 380848398 /nfs/dbraw/zinc/84/83/98/380848398.db2.gz TZNMGTQJYSNUPW-DZGCQCFKSA-N 2 1 278.465 3.447 20 0 CGADMP CCCC[C@H](CC)CC[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000572326962 322331597 /nfs/dbraw/zinc/33/15/97/322331597.db2.gz OLVFXIWKRAIPIC-UONOGXRCSA-N 2 1 263.429 3.463 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000334783833 207068665 /nfs/dbraw/zinc/06/86/65/207068665.db2.gz CVLPLXDWFHHQCN-UHFFFAOYSA-N 2 1 280.362 3.200 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000360014803 381410497 /nfs/dbraw/zinc/41/04/97/381410497.db2.gz JXIQWSSBIDZXBA-GOEBONIOSA-N 2 1 299.418 3.338 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCCc1cccc(F)c1)CC2 ZINC000360314055 381513247 /nfs/dbraw/zinc/51/32/47/381513247.db2.gz PDORNBQCHWEMOB-UHFFFAOYSA-N 2 1 290.426 3.319 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334866773 207212621 /nfs/dbraw/zinc/21/26/21/207212621.db2.gz CJFWQTPOHXKRRU-DZGCQCFKSA-N 2 1 264.438 3.021 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361591489 381822959 /nfs/dbraw/zinc/82/29/59/381822959.db2.gz NMFHETJXFLMROT-STQMWFEESA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361591489 381822962 /nfs/dbraw/zinc/82/29/62/381822962.db2.gz NMFHETJXFLMROT-STQMWFEESA-N 2 1 289.345 3.244 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2SCCc3ccccc32)CC[N@H+]1C ZINC000361967768 381878533 /nfs/dbraw/zinc/87/85/33/381878533.db2.gz WSXKWVKELWYQEH-UNEWFSDZSA-N 2 1 290.476 3.089 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000226865271 542292407 /nfs/dbraw/zinc/29/24/07/542292407.db2.gz WYUAWVNYYMYRKA-XUWVNRHRSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000226865271 542292410 /nfs/dbraw/zinc/29/24/10/542292410.db2.gz WYUAWVNYYMYRKA-XUWVNRHRSA-N 2 1 252.446 3.418 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)c2ccccc21 ZINC000227535350 542294375 /nfs/dbraw/zinc/29/43/75/542294375.db2.gz LBDMDGKXCJDUEP-KURKYZTESA-N 2 1 264.372 3.408 20 0 CGADMP Cc1cc(C)c2c(c1)C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000362595474 382072774 /nfs/dbraw/zinc/07/27/74/382072774.db2.gz DBYAGGHLVNIYFP-KRWDZBQOSA-N 2 1 272.436 3.146 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000362595474 382072780 /nfs/dbraw/zinc/07/27/80/382072780.db2.gz DBYAGGHLVNIYFP-KRWDZBQOSA-N 2 1 272.436 3.146 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000362595474 382072785 /nfs/dbraw/zinc/07/27/85/382072785.db2.gz DBYAGGHLVNIYFP-KRWDZBQOSA-N 2 1 272.436 3.146 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC000230126467 542302832 /nfs/dbraw/zinc/30/28/32/542302832.db2.gz TWKYPWZGCJWARK-OKZBNKHCSA-N 2 1 270.420 3.123 20 0 CGADMP CSC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000365619000 382289834 /nfs/dbraw/zinc/28/98/34/382289834.db2.gz QDJLOYZKYSJITQ-GDBMZVCRSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000365619000 382289841 /nfs/dbraw/zinc/28/98/41/382289841.db2.gz QDJLOYZKYSJITQ-GDBMZVCRSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000365619000 382289846 /nfs/dbraw/zinc/28/98/46/382289846.db2.gz QDJLOYZKYSJITQ-GDBMZVCRSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000365619000 382289851 /nfs/dbraw/zinc/28/98/51/382289851.db2.gz QDJLOYZKYSJITQ-GDBMZVCRSA-N 2 1 294.508 3.221 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+](C)C ZINC000370062855 382414955 /nfs/dbraw/zinc/41/49/55/382414955.db2.gz MSRDZUQSNKDJDQ-ADKAHSJRSA-N 2 1 296.499 3.434 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250083821 542341741 /nfs/dbraw/zinc/34/17/41/542341741.db2.gz MTTICUFBTUKLTO-IRXDYDNUSA-N 2 1 270.420 3.280 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251772867 542347580 /nfs/dbraw/zinc/34/75/80/542347580.db2.gz MOVAJHWARFJCDX-RDTXWAMCSA-N 2 1 268.404 3.399 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000251143927 542345789 /nfs/dbraw/zinc/34/57/89/542345789.db2.gz FKGSVSIZCOIJBZ-NVXWUHKLSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000251143927 542345791 /nfs/dbraw/zinc/34/57/91/542345791.db2.gz FKGSVSIZCOIJBZ-NVXWUHKLSA-N 2 1 276.399 3.098 20 0 CGADMP CSc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423261636 533005169 /nfs/dbraw/zinc/00/51/69/533005169.db2.gz KJWJVHIHPUUZSQ-JSGCOSHPSA-N 2 1 266.454 3.433 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423271352 533057775 /nfs/dbraw/zinc/05/77/75/533057775.db2.gz IZHPMWNPUHTGGE-DGCLKSJQSA-N 2 1 252.427 3.042 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423269240 533058544 /nfs/dbraw/zinc/05/85/44/533058544.db2.gz VSKZRRRPHOAKHT-OLZOCXBDSA-N 2 1 266.454 3.433 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C)C[C@@H]1C ZINC000353745847 220297555 /nfs/dbraw/zinc/29/75/55/220297555.db2.gz BEVADTWXVUFKTB-DOTOQJQBSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C)C[C@@H]1C ZINC000353745847 220297557 /nfs/dbraw/zinc/29/75/57/220297557.db2.gz BEVADTWXVUFKTB-DOTOQJQBSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C[C@@H]1C ZINC000353745847 220297561 /nfs/dbraw/zinc/29/75/61/220297561.db2.gz BEVADTWXVUFKTB-DOTOQJQBSA-N 2 1 260.425 3.300 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CC=CCC1 ZINC000353751850 220307047 /nfs/dbraw/zinc/30/70/47/220307047.db2.gz KQFLDSYOGBIKCW-OAGGEKHMSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CC=CCC1 ZINC000353751850 220307052 /nfs/dbraw/zinc/30/70/52/220307052.db2.gz KQFLDSYOGBIKCW-OAGGEKHMSA-N 2 1 250.430 3.053 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000502415238 285146250 /nfs/dbraw/zinc/14/62/50/285146250.db2.gz LWFKMVDBXSJIQF-BZSNNMDCSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000289209863 197264004 /nfs/dbraw/zinc/26/40/04/197264004.db2.gz IMHGMGKFFKZHQQ-NVXWUHKLSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000289209863 197264006 /nfs/dbraw/zinc/26/40/06/197264006.db2.gz IMHGMGKFFKZHQQ-NVXWUHKLSA-N 2 1 289.467 3.033 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)ccc1F ZINC000152513524 533114523 /nfs/dbraw/zinc/11/45/23/533114523.db2.gz AMFIKLUANJPYQL-GFCCVEGCSA-N 2 1 282.403 3.073 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000414178061 533166878 /nfs/dbraw/zinc/16/68/78/533166878.db2.gz KCSXABYQKHSBAA-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP C/C=C/C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309724572 542425804 /nfs/dbraw/zinc/42/58/04/542425804.db2.gz PDYGBRBGTKPYTC-GILVVUIESA-N 2 1 258.409 3.063 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000309761271 542426187 /nfs/dbraw/zinc/42/61/87/542426187.db2.gz YBCYRXYDMZHFAS-IBGZPJMESA-N 2 1 295.430 3.002 20 0 CGADMP C[C@@H]1C[C@@H](NCC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526039357 260002310 /nfs/dbraw/zinc/00/23/10/260002310.db2.gz HLBCQBVUHGOSEL-ZBFHGGJFSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000526039357 260002312 /nfs/dbraw/zinc/00/23/12/260002312.db2.gz HLBCQBVUHGOSEL-ZBFHGGJFSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526039357 260002313 /nfs/dbraw/zinc/00/23/13/260002313.db2.gz HLBCQBVUHGOSEL-ZBFHGGJFSA-N 2 1 276.399 3.131 20 0 CGADMP CCO[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000339073215 542485711 /nfs/dbraw/zinc/48/57/11/542485711.db2.gz AZWYLKKABWWSLJ-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000339069853 542486159 /nfs/dbraw/zinc/48/61/59/542486159.db2.gz XWNTXYBIFSTMOD-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CC[C@H]1C1CC1)Cc1ccccc1 ZINC000348100718 542515074 /nfs/dbraw/zinc/51/50/74/542515074.db2.gz GHOKJZGPRNGWJQ-ROUUACIJSA-N 2 1 272.436 3.287 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCC1 ZINC000281862800 195413315 /nfs/dbraw/zinc/41/33/15/195413315.db2.gz DOOIDCMSZXYPEJ-LSDHHAIUSA-N 2 1 297.446 3.099 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc2c1 ZINC000423268941 533336842 /nfs/dbraw/zinc/33/68/42/533336842.db2.gz VJFJCMJCZGJSGU-SCLBCKFNSA-N 2 1 286.419 3.482 20 0 CGADMP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OCC1CCCC1 ZINC000459345244 533363775 /nfs/dbraw/zinc/36/37/75/533363775.db2.gz SBAHRHYMGTZLLN-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OCC1CCCC1 ZINC000459345244 533363781 /nfs/dbraw/zinc/36/37/81/533363781.db2.gz SBAHRHYMGTZLLN-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000423514063 533435914 /nfs/dbraw/zinc/43/59/14/533435914.db2.gz LXKPYLQWPYWVFM-RHSMWYFYSA-N 2 1 290.451 3.013 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1C(C)(C)C ZINC000423492224 533436380 /nfs/dbraw/zinc/43/63/80/533436380.db2.gz MGIZHVIZWDLEEE-HUUCEWRRSA-N 2 1 290.451 3.013 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423503706 533469396 /nfs/dbraw/zinc/46/93/96/533469396.db2.gz GDYYMSKEVGWJJR-CWRNSKLLSA-N 2 1 260.425 3.156 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccsc1 ZINC000423268893 533511314 /nfs/dbraw/zinc/51/13/14/533511314.db2.gz VGYJYOKDIOFBQJ-RISCZKNCSA-N 2 1 252.427 3.306 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c2ccccc12 ZINC000094692731 533558228 /nfs/dbraw/zinc/55/82/28/533558228.db2.gz HIEUOMSFLQPQJO-CQSZACIVSA-N 2 1 284.403 3.019 20 0 CGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000391120383 542612557 /nfs/dbraw/zinc/61/25/57/542612557.db2.gz AVOLIBDHUJFYPJ-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)c1ccc(C[C@@H]2CC[N@@H+](CCC[NH3+])C2)cc1 ZINC000414761020 542638146 /nfs/dbraw/zinc/63/81/46/542638146.db2.gz ZTZNQVPIJIHFQG-INIZCTEOSA-N 2 1 260.425 3.023 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000414217967 542634730 /nfs/dbraw/zinc/63/47/30/542634730.db2.gz FHLHEVAEZOEALM-PMPSAXMXSA-N 2 1 258.409 3.210 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000414217967 542634735 /nfs/dbraw/zinc/63/47/35/542634735.db2.gz FHLHEVAEZOEALM-PMPSAXMXSA-N 2 1 258.409 3.210 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000414922896 542641390 /nfs/dbraw/zinc/64/13/90/542641390.db2.gz HROJZTPNAIEPGK-UONOGXRCSA-N 2 1 287.432 3.170 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037649330 391982916 /nfs/dbraw/zinc/98/29/16/391982916.db2.gz RVYFSJDJSOWELF-HOTGVXAUSA-N 2 1 272.436 3.438 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996965 391978159 /nfs/dbraw/zinc/97/81/59/391978159.db2.gz AJIFWQUCXMDEPG-YESZJQIVSA-N 2 1 258.409 3.354 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996965 391978162 /nfs/dbraw/zinc/97/81/62/391978162.db2.gz AJIFWQUCXMDEPG-YESZJQIVSA-N 2 1 258.409 3.354 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000070169457 392178156 /nfs/dbraw/zinc/17/81/56/392178156.db2.gz KYIAQVOLAXVCPG-LBPRGKRZSA-N 2 1 297.240 3.010 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358798 392182502 /nfs/dbraw/zinc/18/25/02/392182502.db2.gz KEPMZGIOWOKLKM-WMZOPIPTSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868569 392311808 /nfs/dbraw/zinc/31/18/08/392311808.db2.gz DBUDPVCRGUVLNP-DLBZAZTESA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868569 392311814 /nfs/dbraw/zinc/31/18/14/392311814.db2.gz DBUDPVCRGUVLNP-DLBZAZTESA-N 2 1 288.435 3.190 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@H](C)[C@@H]1C)[NH+]1CC[C@H](C)[C@H]1C ZINC000431599959 542653058 /nfs/dbraw/zinc/65/30/58/542653058.db2.gz LCMHCHNAJFFOOW-OLMNGRFOSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000431599959 542653059 /nfs/dbraw/zinc/65/30/59/542653059.db2.gz LCMHCHNAJFFOOW-OLMNGRFOSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@H](C)[C@H]1C ZINC000431599959 542653062 /nfs/dbraw/zinc/65/30/62/542653062.db2.gz LCMHCHNAJFFOOW-OLMNGRFOSA-N 2 1 252.446 3.226 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453314161 542681371 /nfs/dbraw/zinc/68/13/71/542681371.db2.gz XSCWTRSPPZKYSD-BZZMCLGOSA-N 2 1 272.436 3.458 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453314161 542681375 /nfs/dbraw/zinc/68/13/75/542681375.db2.gz XSCWTRSPPZKYSD-BZZMCLGOSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCS[C@@H](c2ccccc2)C1 ZINC000361968739 392378401 /nfs/dbraw/zinc/37/84/01/392378401.db2.gz PTLGCHRBJCQGTO-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCS[C@@H](c2ccccc2)C1 ZINC000361968739 392378405 /nfs/dbraw/zinc/37/84/05/392378405.db2.gz PTLGCHRBJCQGTO-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361968739 392378410 /nfs/dbraw/zinc/37/84/10/392378410.db2.gz PTLGCHRBJCQGTO-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361968739 392378412 /nfs/dbraw/zinc/37/84/12/392378412.db2.gz PTLGCHRBJCQGTO-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000294262025 392535463 /nfs/dbraw/zinc/53/54/63/392535463.db2.gz LKIRNIHECGGIJS-VVWQDTPRSA-N 2 1 286.463 3.499 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000161687606 392584509 /nfs/dbraw/zinc/58/45/09/392584509.db2.gz ABYMIBUHHPYIQU-UHFFFAOYSA-N 2 1 297.446 3.088 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccncc1 ZINC000647281850 392633296 /nfs/dbraw/zinc/63/32/96/392633296.db2.gz MAIKGKCLWJZAOR-QGZVFWFLSA-N 2 1 277.456 3.489 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccncc1 ZINC000647281850 392633303 /nfs/dbraw/zinc/63/33/03/392633303.db2.gz MAIKGKCLWJZAOR-QGZVFWFLSA-N 2 1 277.456 3.489 20 0 CGADMP CC1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000174380059 392641610 /nfs/dbraw/zinc/64/16/10/392641610.db2.gz BCTDCBLQIQGYQJ-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000482501792 542706853 /nfs/dbraw/zinc/70/68/53/542706853.db2.gz CTMBXNJTDUMJLH-MAUKXSAKSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCC1 ZINC000647343744 392691807 /nfs/dbraw/zinc/69/18/07/392691807.db2.gz BMIICRLLZNQZTE-QGTPRVQTSA-N 2 1 272.436 3.110 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCc2ccccc2Cl)CC1 ZINC000372989988 392654308 /nfs/dbraw/zinc/65/43/08/392654308.db2.gz NJFQQLMBYCRIDN-HNNXBMFYSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2ccccc2Cl)CC1 ZINC000372989988 392654312 /nfs/dbraw/zinc/65/43/12/392654312.db2.gz NJFQQLMBYCRIDN-HNNXBMFYSA-N 2 1 280.843 3.299 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647483006 392738875 /nfs/dbraw/zinc/73/88/75/392738875.db2.gz QRKPEDKLMRJVEA-UHFFFAOYSA-N 2 1 288.435 3.190 20 0 CGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543730 392759646 /nfs/dbraw/zinc/75/96/46/392759646.db2.gz RMVHMSFJPQYQEV-KGLIPLIRSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543731 392759786 /nfs/dbraw/zinc/75/97/86/392759786.db2.gz RMVHMSFJPQYQEV-UONOGXRCSA-N 2 1 294.389 3.176 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545685 392762096 /nfs/dbraw/zinc/76/20/96/392762096.db2.gz DEPPTUPYCFFLKM-DLBZAZTESA-N 2 1 295.430 3.056 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000647545691 392762441 /nfs/dbraw/zinc/76/24/41/392762441.db2.gz DVEYZVGNCQIIJX-IRXDYDNUSA-N 2 1 284.447 3.386 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545687 392762494 /nfs/dbraw/zinc/76/24/94/392762494.db2.gz DEPPTUPYCFFLKM-IRXDYDNUSA-N 2 1 295.430 3.056 20 0 CGADMP Clc1cscc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545742 392762755 /nfs/dbraw/zinc/76/27/55/392762755.db2.gz LBYHAQVCMJPCLW-NWDGAFQWSA-N 2 1 284.856 3.223 20 0 CGADMP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000647369063 392710723 /nfs/dbraw/zinc/71/07/23/392710723.db2.gz FIIBXEYDPWPUIE-CVEARBPZSA-N 2 1 264.457 3.134 20 0 CGADMP CC[C@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647936815 392837849 /nfs/dbraw/zinc/83/78/49/392837849.db2.gz LSKSJRHKVSAMNO-YJBOKZPZSA-N 2 1 298.430 3.278 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC000647708336 392787349 /nfs/dbraw/zinc/78/73/49/392787349.db2.gz IRUZYNNPOCAZDT-HIFRSBDPSA-N 2 1 269.392 3.473 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)[C@@H](C)Cc1ccsc1 ZINC000187777813 392792219 /nfs/dbraw/zinc/79/22/19/392792219.db2.gz MCLNWVHYOJVKIR-HNNXBMFYSA-N 2 1 280.481 3.487 20 0 CGADMP C[C@H]1CCC[C@@H](CC[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815286 392808718 /nfs/dbraw/zinc/80/87/18/392808718.db2.gz XNNRFZJHNDRZHE-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP FC(F)Oc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814409 392809133 /nfs/dbraw/zinc/80/91/33/392809133.db2.gz MXOYTQPSHRBGFM-UHFFFAOYSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814409 392809139 /nfs/dbraw/zinc/80/91/39/392809139.db2.gz MXOYTQPSHRBGFM-UHFFFAOYSA-N 2 1 296.361 3.004 20 0 CGADMP Cc1ccccc1OCC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647873542 392818836 /nfs/dbraw/zinc/81/88/36/392818836.db2.gz XNKFWTHMVYVWIQ-UHFFFAOYSA-N 2 1 290.451 3.085 20 0 CGADMP COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647873532 392818988 /nfs/dbraw/zinc/81/89/88/392818988.db2.gz WPALZODPWWAILF-QAPCUYQASA-N 2 1 288.435 3.222 20 0 CGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882615 392824944 /nfs/dbraw/zinc/82/49/44/392824944.db2.gz GDICMODWJCZZBL-CGTJXYLNSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886667 392827036 /nfs/dbraw/zinc/82/70/36/392827036.db2.gz GXBQLOJLVYCIJK-NUJGCVRESA-N 2 1 272.436 3.378 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375843995 392831335 /nfs/dbraw/zinc/83/13/35/392831335.db2.gz ZDSLPENCAGPQDF-BBWFWOEESA-N 2 1 290.476 3.371 20 0 CGADMP Cc1nccn1CC[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000337441491 392886192 /nfs/dbraw/zinc/88/61/92/392886192.db2.gz GGHNZLAIZNOLDI-QGZVFWFLSA-N 2 1 287.382 3.071 20 0 CGADMP Cc1nccn1CCN1CC[C@](F)(c2ccccc2C)C1 ZINC000337441491 392886200 /nfs/dbraw/zinc/88/62/00/392886200.db2.gz GGHNZLAIZNOLDI-QGZVFWFLSA-N 2 1 287.382 3.071 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC2CCC1CC2 ZINC000381574338 392911260 /nfs/dbraw/zinc/91/12/60/392911260.db2.gz ZOUSIPJICZUJDO-NSPSMMDPSA-N 2 1 264.457 3.133 20 0 CGADMP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336797371 392869392 /nfs/dbraw/zinc/86/93/92/392869392.db2.gz ZQSMOVOURQWKFU-BFHYXJOUSA-N 2 1 272.383 3.028 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392184854 392930123 /nfs/dbraw/zinc/93/01/23/392930123.db2.gz CMQCNCLTRRAUJR-IRXDYDNUSA-N 2 1 264.457 3.443 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000525864010 392949995 /nfs/dbraw/zinc/94/99/95/392949995.db2.gz BALOZWDBWSFCKA-GJZGRUSLSA-N 2 1 278.415 3.251 20 0 CGADMP CC[C@H]1CCCC[C@@H]1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000401493080 392951315 /nfs/dbraw/zinc/95/13/15/392951315.db2.gz ZQVHQUFSFWMRHN-JKSUJKDBSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C)c1cccc(O)c1)[NH+]1CCCCC1 ZINC000194958000 392946779 /nfs/dbraw/zinc/94/67/79/392946779.db2.gz HHDNSYQRJWILEU-CABCVRRESA-N 2 1 276.424 3.307 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000340174631 392965932 /nfs/dbraw/zinc/96/59/32/392965932.db2.gz RNKIVPFQQTWSDB-RTBURBONSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000340174631 392965941 /nfs/dbraw/zinc/96/59/41/392965941.db2.gz RNKIVPFQQTWSDB-RTBURBONSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CSC2(C)C)C[C@@H]1c1ccccc1 ZINC000340382864 392971924 /nfs/dbraw/zinc/97/19/24/392971924.db2.gz CVELHOIJGLNUMB-XHSDSOJGSA-N 2 1 290.476 3.306 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CSC2(C)C)C[C@@H]1c1ccccc1 ZINC000340382864 392971934 /nfs/dbraw/zinc/97/19/34/392971934.db2.gz CVELHOIJGLNUMB-XHSDSOJGSA-N 2 1 290.476 3.306 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000575599707 542764020 /nfs/dbraw/zinc/76/40/20/542764020.db2.gz OHYYPNKVROXKKU-BZUAXINKSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000575599707 542764026 /nfs/dbraw/zinc/76/40/26/542764026.db2.gz OHYYPNKVROXKKU-BZUAXINKSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000575599707 542764031 /nfs/dbraw/zinc/76/40/31/542764031.db2.gz OHYYPNKVROXKKU-BZUAXINKSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000575599707 542764034 /nfs/dbraw/zinc/76/40/34/542764034.db2.gz OHYYPNKVROXKKU-BZUAXINKSA-N 2 1 266.473 3.475 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000415002575 393087367 /nfs/dbraw/zinc/08/73/67/393087367.db2.gz DWCGMBGIXSKCKQ-LSDHHAIUSA-N 2 1 268.404 3.487 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OCC ZINC000415005903 393089976 /nfs/dbraw/zinc/08/99/76/393089976.db2.gz AZWIRMPIFQZFRD-ZIAGYGMSSA-N 2 1 294.439 3.090 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415009843 393093322 /nfs/dbraw/zinc/09/33/22/393093322.db2.gz XRZYMTLXZJSFDW-GOEBONIOSA-N 2 1 296.405 3.151 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000415011188 393093763 /nfs/dbraw/zinc/09/37/63/393093763.db2.gz QLSYQQWBXLXSBZ-KBPBESRZSA-N 2 1 270.376 3.304 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245698109 393045409 /nfs/dbraw/zinc/04/54/09/393045409.db2.gz RDECKAWLVRDXEO-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245698109 393045414 /nfs/dbraw/zinc/04/54/14/393045414.db2.gz RDECKAWLVRDXEO-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245698109 393045418 /nfs/dbraw/zinc/04/54/18/393045418.db2.gz RDECKAWLVRDXEO-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000414949673 393058629 /nfs/dbraw/zinc/05/86/29/393058629.db2.gz GJJLTIYSOVHWRH-PVAVHDDUSA-N 2 1 260.425 3.156 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000415038228 393106883 /nfs/dbraw/zinc/10/68/83/393106883.db2.gz HUESOZKICWXJNL-QZTJIDSGSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000415053662 393114283 /nfs/dbraw/zinc/11/42/83/393114283.db2.gz OZSJXJFWHMUOOG-WMZOPIPTSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000415053661 393114732 /nfs/dbraw/zinc/11/47/32/393114732.db2.gz OZSJXJFWHMUOOG-SJLPKXTDSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)c1 ZINC000415053651 393115194 /nfs/dbraw/zinc/11/51/94/393115194.db2.gz OYLVLOSCFWNXGE-WMZOPIPTSA-N 2 1 272.436 3.267 20 0 CGADMP Clc1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054146 393116548 /nfs/dbraw/zinc/11/65/48/393116548.db2.gz PLNYORBVEGHYJR-SMDDNHRTSA-N 2 1 284.856 3.366 20 0 CGADMP Clc1csc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054146 393116551 /nfs/dbraw/zinc/11/65/51/393116551.db2.gz PLNYORBVEGHYJR-SMDDNHRTSA-N 2 1 284.856 3.366 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415059842 393122146 /nfs/dbraw/zinc/12/21/46/393122146.db2.gz ZKXFKOFWIFDXRI-LZLYRXPVSA-N 2 1 274.452 3.172 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000415063527 393123483 /nfs/dbraw/zinc/12/34/83/393123483.db2.gz ILCSMYVGCBRIRW-YOEHRIQHSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415067052 393126902 /nfs/dbraw/zinc/12/69/02/393126902.db2.gz OVVLIJFOGGTAOI-IUODEOHRSA-N 2 1 266.454 3.176 20 0 CGADMP C(C[N@H+]1CCC2(C1)CCCCC2)[C@H]1CCC[NH2+]C1 ZINC000261584051 393140649 /nfs/dbraw/zinc/14/06/49/393140649.db2.gz SAZBQLQQHRJSEZ-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000261837131 393142541 /nfs/dbraw/zinc/14/25/41/393142541.db2.gz RRTOJWKKNCFHSV-IAGOWNOFSA-N 2 1 272.436 3.092 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC[NH2+]2)cc1 ZINC000415108991 393147160 /nfs/dbraw/zinc/14/71/60/393147160.db2.gz LKVOKHCFYGHHOX-JCECYMMASA-N 2 1 270.420 3.258 20 0 CGADMP c1ccc(C[C@H](C[NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415123725 393150775 /nfs/dbraw/zinc/15/07/75/393150775.db2.gz QGDJGLNXWVDLLG-UXHICEINSA-N 2 1 294.442 3.355 20 0 CGADMP C[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000470353643 393243754 /nfs/dbraw/zinc/24/37/54/393243754.db2.gz MWXRRCIVGUBTES-ZDUSSCGKSA-N 2 1 278.827 3.295 20 0 CGADMP Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c2cc(F)ccc2[nH+]1 ZINC000352090401 393198378 /nfs/dbraw/zinc/19/83/78/393198378.db2.gz ZMLPEPNCGBLEAS-UGSOOPFHSA-N 2 1 299.393 3.213 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000274524487 393287301 /nfs/dbraw/zinc/28/73/01/393287301.db2.gz OYXDNEXEELTOPA-CGTJXYLNSA-N 2 1 272.436 3.206 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000274524487 393287310 /nfs/dbraw/zinc/28/73/10/393287310.db2.gz OYXDNEXEELTOPA-CGTJXYLNSA-N 2 1 272.436 3.206 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1C ZINC000273123630 393271446 /nfs/dbraw/zinc/27/14/46/393271446.db2.gz ACLJETGSLRWATI-CQSZACIVSA-N 2 1 287.407 3.168 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000475337144 393393261 /nfs/dbraw/zinc/39/32/61/393393261.db2.gz VEXHLRCOSVZNQB-BZOOQXSSSA-N 2 1 278.415 3.392 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CC2(C)CCCCCC2)CC1 ZINC000355686823 393336795 /nfs/dbraw/zinc/33/67/95/393336795.db2.gz VPWLCEVJASVVRK-UHFFFAOYSA-N 2 1 250.430 3.198 20 0 CGADMP CCSCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000355759403 393340068 /nfs/dbraw/zinc/34/00/68/393340068.db2.gz RAZKZGJCJUKYCO-HNNXBMFYSA-N 2 1 280.481 3.240 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217984 393349402 /nfs/dbraw/zinc/34/94/02/393349402.db2.gz TXTVBBQPCVDNQM-VMGRFDJRSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217984 393349412 /nfs/dbraw/zinc/34/94/12/393349412.db2.gz TXTVBBQPCVDNQM-VMGRFDJRSA-N 2 1 276.399 3.275 20 0 CGADMP CC[C@H](C[NH2+]C1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC000647170988 393366922 /nfs/dbraw/zinc/36/69/22/393366922.db2.gz WWYCNRVMRBSABI-CYBMUJFWSA-N 2 1 260.372 3.028 20 0 CGADMP CC[C@@H](C[NH2+]C1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC000647170989 393367029 /nfs/dbraw/zinc/36/70/29/393367029.db2.gz WWYCNRVMRBSABI-ZDUSSCGKSA-N 2 1 260.372 3.028 20 0 CGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000475746352 393416455 /nfs/dbraw/zinc/41/64/55/393416455.db2.gz ALNLRIJIXBYQHO-ZDUSSCGKSA-N 2 1 293.455 3.307 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1C ZINC000481990449 393438581 /nfs/dbraw/zinc/43/85/81/393438581.db2.gz JJQMANPVCJVWDY-IBEHDNSVSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000482441249 393438899 /nfs/dbraw/zinc/43/88/99/393438899.db2.gz SJDCZOLRXYXPHU-WBVHZDCISA-N 2 1 274.452 3.202 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420284117 393449588 /nfs/dbraw/zinc/44/95/88/393449588.db2.gz COQCZUCVDHYNMD-CQSZACIVSA-N 2 1 284.831 3.154 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420284117 393449595 /nfs/dbraw/zinc/44/95/95/393449595.db2.gz COQCZUCVDHYNMD-CQSZACIVSA-N 2 1 284.831 3.154 20 0 CGADMP C[C@H](C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420296010 393452901 /nfs/dbraw/zinc/45/29/01/393452901.db2.gz CVTHAQSOUCPXEE-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000420296388 393453514 /nfs/dbraw/zinc/45/35/14/393453514.db2.gz BSWNVNFHHYFGOE-HNNXBMFYSA-N 2 1 252.446 3.278 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2ccccc2)cc1 ZINC000420299584 393455846 /nfs/dbraw/zinc/45/58/46/393455846.db2.gz GWIONOPKWUCBEL-MAUKXSAKSA-N 2 1 298.430 3.431 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000420304253 393457559 /nfs/dbraw/zinc/45/75/59/393457559.db2.gz LJNNLRQLXTVARW-LZLYRXPVSA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420303555 393457687 /nfs/dbraw/zinc/45/76/87/393457687.db2.gz KRGPOPMBVWHDCL-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP C(C[N@H+]1CCSC2(CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420309867 393458848 /nfs/dbraw/zinc/45/88/48/393458848.db2.gz UFKBLXBWCJZZFF-OAHLLOKOSA-N 2 1 282.497 3.128 20 0 CGADMP CCC1(CC)CC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420308914 393459069 /nfs/dbraw/zinc/45/90/69/393459069.db2.gz SNRDZQBNAYQZED-INIZCTEOSA-N 2 1 290.451 3.250 20 0 CGADMP CC[C@]1(C)CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311518 393460651 /nfs/dbraw/zinc/46/06/51/393460651.db2.gz WDFXWJDZPGVJDK-FUHWJXTLSA-N 2 1 290.451 3.250 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000420312380 393460953 /nfs/dbraw/zinc/46/09/53/393460953.db2.gz WVPCMNCQMKQGTE-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420314577 393461439 /nfs/dbraw/zinc/46/14/39/393461439.db2.gz ZBAWBJHKFDATHE-DZGCQCFKSA-N 2 1 278.827 3.129 20 0 CGADMP c1cc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000420319979 393466752 /nfs/dbraw/zinc/46/67/52/393466752.db2.gz PUQDUGLNZQWALY-DZGCQCFKSA-N 2 1 264.438 3.275 20 0 CGADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(F)c1 ZINC000420328311 393467385 /nfs/dbraw/zinc/46/73/85/393467385.db2.gz ZDGLJPWHSDNILQ-HNNXBMFYSA-N 2 1 278.415 3.426 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1ccc2ccccc2c1 ZINC000420359733 393472918 /nfs/dbraw/zinc/47/29/18/393472918.db2.gz KHXZTHMNBXPJKD-KRWDZBQOSA-N 2 1 270.420 3.345 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420359888 393474907 /nfs/dbraw/zinc/47/49/07/393474907.db2.gz LARCKQNDCAUYNQ-IEBWSBKVSA-N 2 1 286.463 3.348 20 0 CGADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000420375174 393478028 /nfs/dbraw/zinc/47/80/28/393478028.db2.gz STKLOBSCQBOARK-JSGCOSHPSA-N 2 1 274.399 3.309 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000420373939 393478524 /nfs/dbraw/zinc/47/85/24/393478524.db2.gz ZQAFLWLVFAQJIQ-CQSZACIVSA-N 2 1 291.826 3.351 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000420375176 393478762 /nfs/dbraw/zinc/47/87/62/393478762.db2.gz STKLOBSCQBOARK-TZMCWYRMSA-N 2 1 274.399 3.309 20 0 CGADMP Cc1occc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249404 393412371 /nfs/dbraw/zinc/41/23/71/393412371.db2.gz YCPIVKQTPRPPMA-MSOLQXFVSA-N 2 1 284.403 3.023 20 0 CGADMP Cc1occc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249404 393412374 /nfs/dbraw/zinc/41/23/74/393412374.db2.gz YCPIVKQTPRPPMA-MSOLQXFVSA-N 2 1 284.403 3.023 20 0 CGADMP C[N@H+](Cc1ccc2c(c1)CCCC2)CC1CC[NH+](C)CC1 ZINC000430222230 393541933 /nfs/dbraw/zinc/54/19/33/393541933.db2.gz FMKCWIIIZBYFPZ-UHFFFAOYSA-N 2 1 286.463 3.339 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OC1CCCCCC1 ZINC000420409983 393484603 /nfs/dbraw/zinc/48/46/03/393484603.db2.gz XUGYFRKEGOMESO-WMZOPIPTSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408054 393484835 /nfs/dbraw/zinc/48/48/35/393484835.db2.gz OWEXPOMGAUQWQJ-IIAWOOMASA-N 2 1 299.418 3.319 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408054 393484838 /nfs/dbraw/zinc/48/48/38/393484838.db2.gz OWEXPOMGAUQWQJ-IIAWOOMASA-N 2 1 299.418 3.319 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000275603142 285538281 /nfs/dbraw/zinc/53/82/81/285538281.db2.gz QGNZTLIZJJPREJ-NXHRZFHOSA-N 2 1 295.430 3.371 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000360037660 393560477 /nfs/dbraw/zinc/56/04/77/393560477.db2.gz KWFGDGOGYGHCQJ-MAUKXSAKSA-N 2 1 290.451 3.183 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568607 393576719 /nfs/dbraw/zinc/57/67/19/393576719.db2.gz HRGZGBHHYYEOFK-DNVCBOLYSA-N 2 1 282.431 3.442 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCSc1ccccc1Cl ZINC000430562758 393576846 /nfs/dbraw/zinc/57/68/46/393576846.db2.gz GEBQDBWTQKLQRF-LBPRGKRZSA-N 2 1 284.856 3.245 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCSc1ccccc1Cl ZINC000430562758 393576853 /nfs/dbraw/zinc/57/68/53/393576853.db2.gz GEBQDBWTQKLQRF-LBPRGKRZSA-N 2 1 284.856 3.245 20 0 CGADMP Fc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770904 542814480 /nfs/dbraw/zinc/81/44/80/542814480.db2.gz ZDLHUHXDKAFMDM-LBPRGKRZSA-N 2 1 284.806 3.143 20 0 CGADMP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855503 542820955 /nfs/dbraw/zinc/82/09/55/542820955.db2.gz WOUYWJJISZEOGH-LBPRGKRZSA-N 2 1 290.304 3.076 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CCC2 ZINC000360861689 393600993 /nfs/dbraw/zinc/60/09/93/393600993.db2.gz SXMJZAWJNYQTII-RYUDHWBXSA-N 2 1 281.469 3.013 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773928 393582538 /nfs/dbraw/zinc/58/25/38/393582538.db2.gz LVFVTSGYXYLTFK-UHFFFAOYSA-N 2 1 283.366 3.093 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC(OC(C)(C)C)C2)[C@H](C)C1 ZINC000432426915 393612808 /nfs/dbraw/zinc/61/28/08/393612808.db2.gz ASVMLIOTACMKKU-RDHHWEPZSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360965822 393626333 /nfs/dbraw/zinc/62/63/33/393626333.db2.gz ITEGNIVYTPMCFA-IPYPFGDCSA-N 2 1 266.454 3.142 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360965822 393626339 /nfs/dbraw/zinc/62/63/39/393626339.db2.gz ITEGNIVYTPMCFA-IPYPFGDCSA-N 2 1 266.454 3.142 20 0 CGADMP C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422716488 393640477 /nfs/dbraw/zinc/64/04/77/393640477.db2.gz NHHKWFZVEXVZMG-JQFCIGGWSA-N 2 1 258.409 3.258 20 0 CGADMP C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)c1c[nH+]ccc1N ZINC000422841543 393644635 /nfs/dbraw/zinc/64/46/35/393644635.db2.gz WJASXTLRZJHCJO-YVEFUNNKSA-N 2 1 299.443 3.175 20 0 CGADMP C[C@@H]1CC[C@H](C)N1[C@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000432833429 393648717 /nfs/dbraw/zinc/64/87/17/393648717.db2.gz WPYVZDIHEKCIQC-JZXOWHBKSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H]([NH2+]CC1(C)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000432860623 393653030 /nfs/dbraw/zinc/65/30/30/393653030.db2.gz TVBMDBHSLWQIHM-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423273689 393657174 /nfs/dbraw/zinc/65/71/74/393657174.db2.gz KVLMUBRGXCSKJJ-UONOGXRCSA-N 2 1 297.240 3.009 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CCS2 ZINC000423313358 393661215 /nfs/dbraw/zinc/66/12/15/393661215.db2.gz FOYIUTCFMRAKNM-LSDHHAIUSA-N 2 1 276.449 3.167 20 0 CGADMP C[C@@]1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCC[NH2+]C1 ZINC000423326427 393662238 /nfs/dbraw/zinc/66/22/38/393662238.db2.gz KMZHUTPNAXKRAN-GDBMZVCRSA-N 2 1 294.439 3.342 20 0 CGADMP Cc1cccc(N2CCC([NH2+]C3CC(C)(C)C3)CC2)[nH+]1 ZINC000433265613 393705223 /nfs/dbraw/zinc/70/52/23/393705223.db2.gz LZNLGIMSBITNSX-UHFFFAOYSA-N 2 1 273.424 3.137 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(CCC2)C1 ZINC000448071332 393868965 /nfs/dbraw/zinc/86/89/65/393868965.db2.gz WBJDLGDEASDDQQ-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(CCC2)C1 ZINC000448071332 393868970 /nfs/dbraw/zinc/86/89/70/393868970.db2.gz WBJDLGDEASDDQQ-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449433753 393881308 /nfs/dbraw/zinc/88/13/08/393881308.db2.gz NRUSUZSMFHCKFF-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000666969016 542830498 /nfs/dbraw/zinc/83/04/98/542830498.db2.gz UOOLTSBMAMMBLQ-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCC[C@H]1C ZINC000449560710 393904297 /nfs/dbraw/zinc/90/42/97/393904297.db2.gz OSJGQHLZQNMQCZ-ICAOIODUSA-N 2 1 264.457 3.416 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccc2cn1 ZINC000666969001 542830702 /nfs/dbraw/zinc/83/07/02/542830702.db2.gz UKRFSHJPKXBVGP-MOPGFXCFSA-N 2 1 295.430 3.199 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998244 542834802 /nfs/dbraw/zinc/83/48/02/542834802.db2.gz JJHMQSDSRBXEJS-AWEZNQCLSA-N 2 1 270.376 3.197 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccncn1 ZINC000453058068 394155408 /nfs/dbraw/zinc/15/54/08/394155408.db2.gz JOKXLZRRDUEZSQ-HNNXBMFYSA-N 2 1 298.434 3.168 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccncn1 ZINC000453058068 394155411 /nfs/dbraw/zinc/15/54/11/394155411.db2.gz JOKXLZRRDUEZSQ-HNNXBMFYSA-N 2 1 298.434 3.168 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000453074089 394162569 /nfs/dbraw/zinc/16/25/69/394162569.db2.gz OCZRCLKPROEWDK-OAHLLOKOSA-N 2 1 287.451 3.009 20 0 CGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000453082163 394165083 /nfs/dbraw/zinc/16/50/83/394165083.db2.gz AZXWMAIPQJILIK-AWEZNQCLSA-N 2 1 296.480 3.208 20 0 CGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000453082165 394165117 /nfs/dbraw/zinc/16/51/17/394165117.db2.gz AZXWMAIPQJILIK-CQSZACIVSA-N 2 1 296.480 3.208 20 0 CGADMP CCC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C(C)(C)C ZINC000453092567 394168613 /nfs/dbraw/zinc/16/86/13/394168613.db2.gz DULUJRBGZLYHKL-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCC1 ZINC000453224876 394210761 /nfs/dbraw/zinc/21/07/61/394210761.db2.gz XEKPTYZMDQXPCY-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCC1 ZINC000453224876 394210763 /nfs/dbraw/zinc/21/07/63/394210763.db2.gz XEKPTYZMDQXPCY-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000453391531 394228913 /nfs/dbraw/zinc/22/89/13/394228913.db2.gz YBRHOSDFBDMNRK-UHFFFAOYSA-N 2 1 292.854 3.489 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453393316 394229447 /nfs/dbraw/zinc/22/94/47/394229447.db2.gz FYXUXXACZDTBQJ-KDOFPFPSSA-N 2 1 272.436 3.384 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2=CCCC2)[C@H](C)C1 ZINC000453399632 394233337 /nfs/dbraw/zinc/23/33/37/394233337.db2.gz ARVDCZMGQRFYST-GDBMZVCRSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1N(C)C ZINC000453417521 394241219 /nfs/dbraw/zinc/24/12/19/394241219.db2.gz XTTKTAINLGRANW-HNNXBMFYSA-N 2 1 289.467 3.278 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1F ZINC000453420910 394241950 /nfs/dbraw/zinc/24/19/50/394241950.db2.gz ZXATWLYRZDXCGK-ZDUSSCGKSA-N 2 1 294.414 3.359 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cs1 ZINC000453590852 394252304 /nfs/dbraw/zinc/25/23/04/394252304.db2.gz CAHSLTLFCVSNFF-UHFFFAOYSA-N 2 1 252.427 3.021 20 0 CGADMP C[N@@H+](CCCC[NH2+]CCC1CCCCC1)C1CC1 ZINC000453598701 394254406 /nfs/dbraw/zinc/25/44/06/394254406.db2.gz QAJATSBJOLXJQE-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667502967 542880998 /nfs/dbraw/zinc/88/09/98/542880998.db2.gz VQWQMIZKYZBQKY-MRXNPFEDSA-N 2 1 284.407 3.278 20 0 CGADMP CC(C)C[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667502967 542881001 /nfs/dbraw/zinc/88/10/01/542881001.db2.gz VQWQMIZKYZBQKY-MRXNPFEDSA-N 2 1 284.407 3.278 20 0 CGADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667658282 542908242 /nfs/dbraw/zinc/90/82/42/542908242.db2.gz CEXPZMFLGQEBRW-HIFRSBDPSA-N 2 1 261.413 3.230 20 0 CGADMP Cc1ncc(CN2CCCCC[C@@H]2c2ccco2)n1C ZINC000667642866 542902505 /nfs/dbraw/zinc/90/25/05/542902505.db2.gz MUORPSGWODFDHL-OAHLLOKOSA-N 2 1 273.380 3.439 20 0 CGADMP CC(C)[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CCC1 ZINC000668068956 542965509 /nfs/dbraw/zinc/96/55/09/542965509.db2.gz AMJARGGQNLBPJP-UHFFFAOYSA-N 2 1 284.407 3.278 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784531 543061565 /nfs/dbraw/zinc/06/15/65/543061565.db2.gz DXUOQMYLNFELIF-KSZLIROESA-N 2 1 294.483 3.021 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265132 543148156 /nfs/dbraw/zinc/14/81/56/543148156.db2.gz QYQOKALLJXKYHY-CABCVRRESA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265132 543148158 /nfs/dbraw/zinc/14/81/58/543148158.db2.gz QYQOKALLJXKYHY-CABCVRRESA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265132 543148160 /nfs/dbraw/zinc/14/81/60/543148160.db2.gz QYQOKALLJXKYHY-CABCVRRESA-N 2 1 254.462 3.332 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000671754440 543186539 /nfs/dbraw/zinc/18/65/39/543186539.db2.gz QQGCPPIHUUIPBO-ILEACXBISA-N 2 1 294.483 3.185 20 0 CGADMP CCC[N@@H+](CCOc1cc(C)cc(C)c1)C1CC[NH2+]CC1 ZINC000037539164 397608382 /nfs/dbraw/zinc/60/83/82/397608382.db2.gz KSWGIPACMRXJKF-UHFFFAOYSA-N 2 1 290.451 3.146 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2C)CC[C@H]1[NH3+] ZINC000300417637 397673370 /nfs/dbraw/zinc/67/33/70/397673370.db2.gz WFDSIGYWZIRYAT-NVXWUHKLSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cscc2Cl)[C@@H]1CC[NH3+] ZINC000650711562 397898910 /nfs/dbraw/zinc/89/89/10/397898910.db2.gz XJMYGYZUGQSVAV-GXFFZTMASA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cscc2Cl)[C@@H]1CC[NH3+] ZINC000650711562 397898913 /nfs/dbraw/zinc/89/89/13/397898913.db2.gz XJMYGYZUGQSVAV-GXFFZTMASA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)[C@@H]1CC[NH3+] ZINC000650712249 397899650 /nfs/dbraw/zinc/89/96/50/397899650.db2.gz XTIXLJBKTIUVNN-KBXCAEBGSA-N 2 1 283.419 3.184 20 0 CGADMP CC(C)(C)OCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000674909186 543305712 /nfs/dbraw/zinc/30/57/12/543305712.db2.gz LOQRNCFJWYJBIN-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCc2ccccc2)[C@@H](C)C1 ZINC000675736596 543359329 /nfs/dbraw/zinc/35/93/29/543359329.db2.gz XENIYFYCNFCEPZ-WMZOPIPTSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675901573 543371968 /nfs/dbraw/zinc/37/19/68/543371968.db2.gz IZFLXINTQVPPAL-BFHYXJOUSA-N 2 1 266.454 3.142 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675901573 543371971 /nfs/dbraw/zinc/37/19/71/543371971.db2.gz IZFLXINTQVPPAL-BFHYXJOUSA-N 2 1 266.454 3.142 20 0 CGADMP Cc1nc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)s1 ZINC000676491315 543400095 /nfs/dbraw/zinc/40/00/95/543400095.db2.gz ZFHQGXPTZOBSJH-JTQLQIEISA-N 2 1 278.425 3.006 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677130710 543434757 /nfs/dbraw/zinc/43/47/57/543434757.db2.gz VWSNRFBNCDOZRQ-GDZNZVCISA-N 2 1 292.373 3.169 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677130710 543434760 /nfs/dbraw/zinc/43/47/60/543434760.db2.gz VWSNRFBNCDOZRQ-GDZNZVCISA-N 2 1 292.373 3.169 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000678765837 543554022 /nfs/dbraw/zinc/55/40/22/543554022.db2.gz HAPZJGLCVWROOF-KBXCAEBGSA-N 2 1 283.419 3.495 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1(CC)CC ZINC000429348687 286282386 /nfs/dbraw/zinc/28/23/86/286282386.db2.gz KWCLDBXYUVPDAW-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C12CCCC2 ZINC000423260401 286403832 /nfs/dbraw/zinc/40/38/32/286403832.db2.gz HIYUITCFBJOSGJ-IXDOHACOSA-N 2 1 294.483 3.221 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCCO2 ZINC000336345836 292352505 /nfs/dbraw/zinc/35/25/05/292352505.db2.gz AWVMIZQINKRDKC-KRWDZBQOSA-N 2 1 286.419 3.060 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccccc1OC(F)F)C[NH+](C)C ZINC000293279321 286877043 /nfs/dbraw/zinc/87/70/43/286877043.db2.gz CRGBMHIFPIOGKC-RYUDHWBXSA-N 2 1 286.366 3.136 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062078773 286960052 /nfs/dbraw/zinc/96/00/52/286960052.db2.gz XJSXPMDSBDOPCA-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C)[C@H](C)C1 ZINC000081096946 165161393 /nfs/dbraw/zinc/16/13/93/165161393.db2.gz QSTYGVKIHKERKG-NVXWUHKLSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C)[C@H](C)C1 ZINC000081096946 165161395 /nfs/dbraw/zinc/16/13/95/165161395.db2.gz QSTYGVKIHKERKG-NVXWUHKLSA-N 2 1 260.425 3.157 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749430 165214769 /nfs/dbraw/zinc/21/47/69/165214769.db2.gz OIAHMAFEDFWVRR-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000090585820 165237801 /nfs/dbraw/zinc/23/78/01/165237801.db2.gz KJQQMBACPMJROY-JKSUJKDBSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000090585820 165237806 /nfs/dbraw/zinc/23/78/06/165237806.db2.gz KJQQMBACPMJROY-JKSUJKDBSA-N 2 1 275.440 3.100 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000093944999 165342344 /nfs/dbraw/zinc/34/23/44/165342344.db2.gz NHTRAKCCAHFKNM-TVFCKZIOSA-N 2 1 296.499 3.028 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000093941746 287120522 /nfs/dbraw/zinc/12/05/22/287120522.db2.gz JHYMLDKUOVQMHO-VBQJREDUSA-N 2 1 264.457 3.418 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000119240712 287166972 /nfs/dbraw/zinc/16/69/72/287166972.db2.gz YAHMURIYJUZRTR-ZMSDIMECSA-N 2 1 290.451 3.212 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000119240712 287166974 /nfs/dbraw/zinc/16/69/74/287166974.db2.gz YAHMURIYJUZRTR-ZMSDIMECSA-N 2 1 290.451 3.212 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccncc2)c1)C[C@H]1CC[NH+](C)C1 ZINC000120922101 287189671 /nfs/dbraw/zinc/18/96/71/287189671.db2.gz RXQIASIHNRUOIP-KRWDZBQOSA-N 2 1 295.430 3.132 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000123261656 287217622 /nfs/dbraw/zinc/21/76/22/287217622.db2.gz XAYXNDLWNASXHH-UKRRQHHQSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccccc2Cl)CC[N@H+]1C ZINC000123261656 287217624 /nfs/dbraw/zinc/21/76/24/287217624.db2.gz XAYXNDLWNASXHH-UKRRQHHQSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccccc2Cl)CC[NH+]1C ZINC000123261656 287217627 /nfs/dbraw/zinc/21/76/27/287217627.db2.gz XAYXNDLWNASXHH-UKRRQHHQSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccccc2Cl)CC[NH+]1C ZINC000123261656 287217631 /nfs/dbraw/zinc/21/76/31/287217631.db2.gz XAYXNDLWNASXHH-UKRRQHHQSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCO[C@@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424287042 287237325 /nfs/dbraw/zinc/23/73/25/287237325.db2.gz IGEJMLSTSDWJQN-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000125643914 287248309 /nfs/dbraw/zinc/24/83/09/287248309.db2.gz BDJFYISGASVHNJ-HZPDHXFCSA-N 2 1 292.471 3.237 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000020124173 171006321 /nfs/dbraw/zinc/00/63/21/171006321.db2.gz ZKMMJCNFFSLJOX-GFCCVEGCSA-N 2 1 266.816 3.475 20 0 CGADMP Clc1ccc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000020128873 171016288 /nfs/dbraw/zinc/01/62/88/171016288.db2.gz NNUMPJPWYNIUBI-UHFFFAOYSA-N 2 1 272.845 3.367 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000020129090 171016413 /nfs/dbraw/zinc/01/64/13/171016413.db2.gz RSWYUSVJPJHUOP-HNNXBMFYSA-N 2 1 276.424 3.222 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(F)cc2)CC1 ZINC000020146214 171032659 /nfs/dbraw/zinc/03/26/59/171032659.db2.gz CWDAACKRSUSCTK-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020967722 171282136 /nfs/dbraw/zinc/28/21/36/171282136.db2.gz RSDVLHUCMNBUCQ-UHFFFAOYSA-N 2 1 284.831 3.170 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000125975486 287254197 /nfs/dbraw/zinc/25/41/97/287254197.db2.gz OBYZWQJEVJJLQQ-ZBFHGGJFSA-N 2 1 252.446 3.131 20 0 CGADMP CCc1ccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285673986 196362701 /nfs/dbraw/zinc/36/27/01/196362701.db2.gz ZZVRYLYYLYGEDK-DFNIBXOVSA-N 2 1 286.463 3.349 20 0 CGADMP CCc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285673986 196362702 /nfs/dbraw/zinc/36/27/02/196362702.db2.gz ZZVRYLYYLYGEDK-DFNIBXOVSA-N 2 1 286.463 3.349 20 0 CGADMP CCc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285673986 196362704 /nfs/dbraw/zinc/36/27/04/196362704.db2.gz ZZVRYLYYLYGEDK-DFNIBXOVSA-N 2 1 286.463 3.349 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000037248840 173061057 /nfs/dbraw/zinc/06/10/57/173061057.db2.gz RJBHGLHNKKPSQJ-LLVKDONJSA-N 2 1 297.240 3.194 20 0 CGADMP CC(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408278 173184958 /nfs/dbraw/zinc/18/49/58/173184958.db2.gz DOAYAWIMSPMZJE-INIZCTEOSA-N 2 1 272.436 3.384 20 0 CGADMP c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408225 173185426 /nfs/dbraw/zinc/18/54/26/173185426.db2.gz CSPVNVZAFZKODR-OAHLLOKOSA-N 2 1 280.415 3.414 20 0 CGADMP C[N@H+](CCCCF)C1CC[NH+](Cc2ccccc2)CC1 ZINC000285790885 196399846 /nfs/dbraw/zinc/39/98/46/196399846.db2.gz XTVYIJGWUHCYMH-UHFFFAOYSA-N 2 1 278.415 3.333 20 0 CGADMP C[N@@H+](CCCCF)C1CC[NH+](Cc2ccccc2)CC1 ZINC000285790885 196399848 /nfs/dbraw/zinc/39/98/48/196399848.db2.gz XTVYIJGWUHCYMH-UHFFFAOYSA-N 2 1 278.415 3.333 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000038097922 174112558 /nfs/dbraw/zinc/11/25/58/174112558.db2.gz FOZMVTYZHXNZGS-INIZCTEOSA-N 2 1 264.388 3.351 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCn1ccnc1C ZINC000127412733 287287617 /nfs/dbraw/zinc/28/76/17/287287617.db2.gz CXIHNNVMINQMKW-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127412733 287287619 /nfs/dbraw/zinc/28/76/19/287287619.db2.gz CXIHNNVMINQMKW-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000127412733 287287620 /nfs/dbraw/zinc/28/76/20/287287620.db2.gz CXIHNNVMINQMKW-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000040620696 174355179 /nfs/dbraw/zinc/35/51/79/174355179.db2.gz WPKFXQSKKYHMLZ-CQSZACIVSA-N 2 1 266.816 3.160 20 0 CGADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127751340 287295288 /nfs/dbraw/zinc/29/52/88/287295288.db2.gz MNORVTFBSXAJJO-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1F ZINC000050559324 416478206 /nfs/dbraw/zinc/47/82/06/416478206.db2.gz LSVJEKJBXVDOPO-RDJZCZTQSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1F ZINC000050559324 416478209 /nfs/dbraw/zinc/47/82/09/416478209.db2.gz LSVJEKJBXVDOPO-RDJZCZTQSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)c1 ZINC000311462912 416531748 /nfs/dbraw/zinc/53/17/48/416531748.db2.gz MKJIXNYMMIKFOF-HOCLYGCPSA-N 2 1 278.827 3.209 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000314675231 416538421 /nfs/dbraw/zinc/53/84/21/416538421.db2.gz GVPYTZIIRWEWQS-QZTJIDSGSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])ccc2n1 ZINC000404329495 416551513 /nfs/dbraw/zinc/55/15/13/416551513.db2.gz YBTOOVFMZXTBDF-KUHUBIRLSA-N 2 1 297.446 3.493 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000404341836 416552110 /nfs/dbraw/zinc/55/21/10/416552110.db2.gz FIVLCEXHXOTYOM-ZMSDIMECSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358790 416492587 /nfs/dbraw/zinc/49/25/87/416492587.db2.gz KMNGYWNMUSCQMK-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCC[NH3+] ZINC000133229608 416516340 /nfs/dbraw/zinc/51/63/40/416516340.db2.gz ROBASLWQHPEJRU-ZDUSSCGKSA-N 2 1 285.229 3.181 20 0 CGADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000679341965 543622832 /nfs/dbraw/zinc/62/28/32/543622832.db2.gz PROIYOMJVAUMCO-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000679396001 543634526 /nfs/dbraw/zinc/63/45/26/543634526.db2.gz LOUIUBSTTXBKMQ-UHFFFAOYSA-N 2 1 290.451 3.336 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000680333057 543699253 /nfs/dbraw/zinc/69/92/53/543699253.db2.gz UIYQVDZNCLIYDZ-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000130341357 287352578 /nfs/dbraw/zinc/35/25/78/287352578.db2.gz PWCKZATXMLCTSG-ARFHVFGLSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000130341357 287352579 /nfs/dbraw/zinc/35/25/79/287352579.db2.gz PWCKZATXMLCTSG-ARFHVFGLSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)(CC)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000679997763 543674209 /nfs/dbraw/zinc/67/42/09/543674209.db2.gz STEALDBAAHOOCX-QGZVFWFLSA-N 2 1 296.499 3.436 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000681366338 543784143 /nfs/dbraw/zinc/78/41/43/543784143.db2.gz PAUSNUIPRHKEQF-BBWFWOEESA-N 2 1 264.457 3.299 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC000130608227 287359394 /nfs/dbraw/zinc/35/93/94/287359394.db2.gz LECRMNXJFUPTQA-UHFFFAOYSA-N 2 1 293.361 3.034 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000130608227 287359396 /nfs/dbraw/zinc/35/93/96/287359396.db2.gz LECRMNXJFUPTQA-UHFFFAOYSA-N 2 1 293.361 3.034 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC000130622914 287359606 /nfs/dbraw/zinc/35/96/06/287359606.db2.gz SZFMTAVZVWTXHV-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC2CCCCCC2)CC[N@H+]1C ZINC000130622914 287359608 /nfs/dbraw/zinc/35/96/08/287359608.db2.gz SZFMTAVZVWTXHV-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000130622914 287359610 /nfs/dbraw/zinc/35/96/10/287359610.db2.gz SZFMTAVZVWTXHV-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000130622914 287359612 /nfs/dbraw/zinc/35/96/12/287359612.db2.gz SZFMTAVZVWTXHV-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000130817314 287364313 /nfs/dbraw/zinc/36/43/13/287364313.db2.gz DGUTWAHDQMYMDM-WBVHZDCISA-N 2 1 290.451 3.151 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000130817314 287364315 /nfs/dbraw/zinc/36/43/15/287364315.db2.gz DGUTWAHDQMYMDM-WBVHZDCISA-N 2 1 290.451 3.151 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683110208 543895781 /nfs/dbraw/zinc/89/57/81/543895781.db2.gz NXACEYLSSLFWPS-NJAFHUGGSA-N 2 1 272.436 3.144 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000683829371 543945107 /nfs/dbraw/zinc/94/51/07/543945107.db2.gz BIGINBRFZLPAFA-INIZCTEOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684024484 543961859 /nfs/dbraw/zinc/96/18/59/543961859.db2.gz VSGJBVHVHDQSTF-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684024484 543961862 /nfs/dbraw/zinc/96/18/62/543961862.db2.gz VSGJBVHVHDQSTF-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000684370158 543987260 /nfs/dbraw/zinc/98/72/60/543987260.db2.gz NMXJHWFWLPNBPR-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC000685443789 544071442 /nfs/dbraw/zinc/07/14/42/544071442.db2.gz BHZXPBZYNDYIOF-RDGKXADDSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000685443789 544071445 /nfs/dbraw/zinc/07/14/45/544071445.db2.gz BHZXPBZYNDYIOF-RDGKXADDSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000685443789 544071451 /nfs/dbraw/zinc/07/14/51/544071451.db2.gz BHZXPBZYNDYIOF-RDGKXADDSA-N 2 1 252.446 3.226 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+][C@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000685840987 544100210 /nfs/dbraw/zinc/10/02/10/544100210.db2.gz GXUGUIJAOBLDJQ-SFHVURJKSA-N 2 1 284.447 3.008 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+][C@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000685840987 544100211 /nfs/dbraw/zinc/10/02/11/544100211.db2.gz GXUGUIJAOBLDJQ-SFHVURJKSA-N 2 1 284.447 3.008 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]c2c(O)cccc12 ZINC000685906679 544107163 /nfs/dbraw/zinc/10/71/63/544107163.db2.gz UZFCPAIINIYUFF-GFCCVEGCSA-N 2 1 273.380 3.083 20 0 CGADMP CC(C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319915 418934085 /nfs/dbraw/zinc/93/40/85/418934085.db2.gz JUYQKJZYXHFGDX-KRWDZBQOSA-N 2 1 272.436 3.287 20 0 CGADMP CC[N@@H+](CCCN[C@H]1CC[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000650741905 418936286 /nfs/dbraw/zinc/93/62/86/418936286.db2.gz NUUSQHODZMTDBX-WMZOPIPTSA-N 2 1 295.515 3.009 20 0 CGADMP CC[N@H+](CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000650741905 418936290 /nfs/dbraw/zinc/93/62/90/418936290.db2.gz NUUSQHODZMTDBX-WMZOPIPTSA-N 3 1 295.515 3.009 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000650741905 418936291 /nfs/dbraw/zinc/93/62/91/418936291.db2.gz NUUSQHODZMTDBX-WMZOPIPTSA-N 3 1 295.515 3.009 20 0 CGADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cnn1C(C)C ZINC000652222549 418937563 /nfs/dbraw/zinc/93/75/63/418937563.db2.gz REFLAXKIBVMHMV-HNNXBMFYSA-N 2 1 294.487 3.401 20 0 CGADMP Cc1c([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cnn1C(C)C ZINC000652222549 418937564 /nfs/dbraw/zinc/93/75/64/418937564.db2.gz REFLAXKIBVMHMV-HNNXBMFYSA-N 2 1 294.487 3.401 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1O ZINC000652222262 418937618 /nfs/dbraw/zinc/93/76/18/418937618.db2.gz IYFRMJWRFSEZDV-CQSZACIVSA-N 2 1 294.439 3.029 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1O ZINC000652222262 418937620 /nfs/dbraw/zinc/93/76/20/418937620.db2.gz IYFRMJWRFSEZDV-CQSZACIVSA-N 2 1 294.439 3.029 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccsc1 ZINC000652221151 418937710 /nfs/dbraw/zinc/93/77/10/418937710.db2.gz SALUEEKZEKWSRD-CYBMUJFWSA-N 2 1 254.443 3.377 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccsc1 ZINC000652221151 418937714 /nfs/dbraw/zinc/93/77/14/418937714.db2.gz SALUEEKZEKWSRD-CYBMUJFWSA-N 2 1 254.443 3.377 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccncc1 ZINC000652222574 418938044 /nfs/dbraw/zinc/93/80/44/418938044.db2.gz RTGYDFMOCDFLKC-MRXNPFEDSA-N 2 1 263.429 3.100 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccncc1 ZINC000652222574 418938045 /nfs/dbraw/zinc/93/80/45/418938045.db2.gz RTGYDFMOCDFLKC-MRXNPFEDSA-N 2 1 263.429 3.100 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)CCC2 ZINC000652222700 418938723 /nfs/dbraw/zinc/93/87/23/418938723.db2.gz VROATZWDZSICJQ-CQSZACIVSA-N 2 1 295.496 3.396 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@H+](C)CC(C)C)CCC2 ZINC000652222700 418938724 /nfs/dbraw/zinc/93/87/24/418938724.db2.gz VROATZWDZSICJQ-CQSZACIVSA-N 2 1 295.496 3.396 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@H](C)OC)C1CCCCC1 ZINC000652237641 418939256 /nfs/dbraw/zinc/93/92/56/418939256.db2.gz XQZQLDRSRPYGGS-CABCVRRESA-N 2 1 270.461 3.044 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](CC)C1CCCCC1)[C@@H]1CCOC1 ZINC000652237301 418939998 /nfs/dbraw/zinc/93/99/98/418939998.db2.gz KQWUTJWKLDMVDE-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@]1(c2cccc(F)c2)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000652350077 418956458 /nfs/dbraw/zinc/95/64/58/418956458.db2.gz FBGDQHNVJZQKIH-QAPCUYQASA-N 2 1 290.426 3.179 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCC2CCCC2)C1 ZINC000652362305 418958296 /nfs/dbraw/zinc/95/82/96/418958296.db2.gz DIMDTPFXSYPUSF-SQNIBIBYSA-N 2 1 294.483 3.318 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CO1 ZINC000659876607 419026870 /nfs/dbraw/zinc/02/68/70/419026870.db2.gz CLEJPZBTYVOMML-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000659963721 419048272 /nfs/dbraw/zinc/04/82/72/419048272.db2.gz XXPXDFBZRMMHJQ-KGLIPLIRSA-N 2 1 276.415 3.474 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000659963721 419048275 /nfs/dbraw/zinc/04/82/75/419048275.db2.gz XXPXDFBZRMMHJQ-KGLIPLIRSA-N 2 1 276.415 3.474 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000659963721 419048276 /nfs/dbraw/zinc/04/82/76/419048276.db2.gz XXPXDFBZRMMHJQ-KGLIPLIRSA-N 2 1 276.415 3.474 20 0 CGADMP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000665241480 419088094 /nfs/dbraw/zinc/08/80/94/419088094.db2.gz NYUJKGZBBQETQO-KBMXLJTQSA-N 2 1 278.827 3.003 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653813831 419091195 /nfs/dbraw/zinc/09/11/95/419091195.db2.gz FOORRXKNYCPWPS-QGZVFWFLSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653813831 419091201 /nfs/dbraw/zinc/09/12/01/419091201.db2.gz FOORRXKNYCPWPS-QGZVFWFLSA-N 2 1 291.439 3.005 20 0 CGADMP C[C@H]([NH2+]CC1CC=CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220979 419104098 /nfs/dbraw/zinc/10/40/98/419104098.db2.gz NSLYHTRTUALEMI-QFBILLFUSA-N 2 1 284.447 3.453 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CC1 ZINC000653581494 419053927 /nfs/dbraw/zinc/05/39/27/419053927.db2.gz SRDVOTDONSRCSU-CYBMUJFWSA-N 2 1 261.413 3.415 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(C)(C)C3CC3)C2)C1 ZINC000653705230 419074422 /nfs/dbraw/zinc/07/44/22/419074422.db2.gz YGOUTSFGJRDDSU-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(C)(C)C3CC3)C2)C1 ZINC000653705230 419074424 /nfs/dbraw/zinc/07/44/24/419074424.db2.gz YGOUTSFGJRDDSU-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655716864 419076204 /nfs/dbraw/zinc/07/62/04/419076204.db2.gz ZEYAQNOCRGJIPY-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCC1 ZINC000660115418 419080019 /nfs/dbraw/zinc/08/00/19/419080019.db2.gz MYFJVBSNORWRHP-WBVHZDCISA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCC1 ZINC000660115418 419080024 /nfs/dbraw/zinc/08/00/24/419080024.db2.gz MYFJVBSNORWRHP-WBVHZDCISA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCC1 ZINC000660115418 419080028 /nfs/dbraw/zinc/08/00/28/419080028.db2.gz MYFJVBSNORWRHP-WBVHZDCISA-N 2 1 262.441 3.125 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCC(C)(C)C1CC1)CC[NH2+]CC2 ZINC000655940346 419129907 /nfs/dbraw/zinc/12/99/07/419129907.db2.gz RVQJIBRMFGXKLT-CQSZACIVSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000656193613 419148081 /nfs/dbraw/zinc/14/80/81/419148081.db2.gz PBJRYLCEDBJUNP-AYOQOUSVSA-N 2 1 295.430 3.096 20 0 CGADMP CSc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000660463994 419148326 /nfs/dbraw/zinc/14/83/26/419148326.db2.gz KOVVCDUYUPYXAD-UHFFFAOYSA-N 2 1 278.465 3.326 20 0 CGADMP CSc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000660463994 419148330 /nfs/dbraw/zinc/14/83/30/419148330.db2.gz KOVVCDUYUPYXAD-UHFFFAOYSA-N 2 1 278.465 3.326 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000660465409 419148877 /nfs/dbraw/zinc/14/88/77/419148877.db2.gz YKEATDYCNMNVJS-CYBMUJFWSA-N 2 1 262.388 3.086 20 0 CGADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000656268895 419161077 /nfs/dbraw/zinc/16/10/77/419161077.db2.gz IGVXJSDAEXJUAG-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCCc3ccccc31)C2 ZINC000660658621 419178267 /nfs/dbraw/zinc/17/82/67/419178267.db2.gz IBFNTDWZIUKCHY-MOPGFXCFSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000660658621 419178270 /nfs/dbraw/zinc/17/82/70/419178270.db2.gz IBFNTDWZIUKCHY-MOPGFXCFSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000660658621 419178274 /nfs/dbraw/zinc/17/82/74/419178274.db2.gz IBFNTDWZIUKCHY-MOPGFXCFSA-N 2 1 284.447 3.482 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660663692 419178813 /nfs/dbraw/zinc/17/88/13/419178813.db2.gz PFMGYKRVQBOTHB-HOTGVXAUSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660663692 419178816 /nfs/dbraw/zinc/17/88/16/419178816.db2.gz PFMGYKRVQBOTHB-HOTGVXAUSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660663692 419178817 /nfs/dbraw/zinc/17/88/17/419178817.db2.gz PFMGYKRVQBOTHB-HOTGVXAUSA-N 2 1 252.446 3.086 20 0 CGADMP CCc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665888 419179039 /nfs/dbraw/zinc/17/90/39/419179039.db2.gz YRUGAYZEMXYGTA-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000655938046 419127681 /nfs/dbraw/zinc/12/76/81/419127681.db2.gz KQJYODJPTAOJLX-GDBMZVCRSA-N 2 1 290.451 3.378 20 0 CGADMP C[C@H](NCc1cnc2n1CCC2)c1ccc(Cl)s1 ZINC000657300080 419245418 /nfs/dbraw/zinc/24/54/18/419245418.db2.gz HOYMZJYFUUSLLT-VIFPVBQESA-N 2 1 281.812 3.395 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000661486872 419265760 /nfs/dbraw/zinc/26/57/60/419265760.db2.gz ZMBWBAFCYPLNSH-MRXNPFEDSA-N 2 1 275.371 3.318 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000656691284 419203542 /nfs/dbraw/zinc/20/35/42/419203542.db2.gz PRJHFYJDHUDDPB-ROUUACIJSA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000656691284 419203545 /nfs/dbraw/zinc/20/35/45/419203545.db2.gz PRJHFYJDHUDDPB-ROUUACIJSA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656692175 419203581 /nfs/dbraw/zinc/20/35/81/419203581.db2.gz LPWNHOYPCZXUIP-QAPCUYQASA-N 2 1 292.467 3.162 20 0 CGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000656692175 419203585 /nfs/dbraw/zinc/20/35/85/419203585.db2.gz LPWNHOYPCZXUIP-QAPCUYQASA-N 2 1 292.467 3.162 20 0 CGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786627 419219786 /nfs/dbraw/zinc/21/97/86/419219786.db2.gz VDEGLPKEAQEQCL-AWEZNQCLSA-N 2 1 294.389 3.176 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000657182743 419230102 /nfs/dbraw/zinc/23/01/02/419230102.db2.gz NATQZCVCNKURFX-ZIAGYGMSSA-N 2 1 266.454 3.001 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000657179328 419230149 /nfs/dbraw/zinc/23/01/49/419230149.db2.gz BBNOADWLHZGBKD-GJZGRUSLSA-N 2 1 280.481 3.391 20 0 CGADMP c1cc(C[NH+]2CC[C@H]3C[C@H]3C2)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661967275 419316824 /nfs/dbraw/zinc/31/68/24/419316824.db2.gz CTDUPWJFVQHYIQ-FGYAAKKASA-N 2 1 296.458 3.370 20 0 CGADMP c1cc(C[NH+]2CC[C@@H]3C[C@@H]3C2)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661967275 419316825 /nfs/dbraw/zinc/31/68/25/419316825.db2.gz CTDUPWJFVQHYIQ-FGYAAKKASA-N 2 1 296.458 3.370 20 0 CGADMP c1cc(C[NH+]2CC[C@@H]3C[C@@H]3C2)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661967275 419316827 /nfs/dbraw/zinc/31/68/27/419316827.db2.gz CTDUPWJFVQHYIQ-FGYAAKKASA-N 2 1 296.458 3.370 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCCSCC1 ZINC000657848265 419388305 /nfs/dbraw/zinc/38/83/05/419388305.db2.gz MBPSXDHRRPOTJV-QKPAOTATSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCCSCC1 ZINC000657848265 419388309 /nfs/dbraw/zinc/38/83/09/419388309.db2.gz MBPSXDHRRPOTJV-QKPAOTATSA-N 2 1 284.513 3.228 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662312762 419389118 /nfs/dbraw/zinc/38/91/18/419389118.db2.gz DHEHXKAFAKJEAU-NVXWUHKLSA-N 2 1 260.425 3.334 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)[C@@H]1CCC[NH3+] ZINC000662316200 419390534 /nfs/dbraw/zinc/39/05/34/419390534.db2.gz KPIVXWHRBZEHFV-MLGOLLRUSA-N 2 1 282.378 3.304 20 0 CGADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887179 419406039 /nfs/dbraw/zinc/40/60/39/419406039.db2.gz FMMKYPCHJAAWCS-NTZNESFSSA-N 2 1 283.366 3.153 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887179 419406047 /nfs/dbraw/zinc/40/60/47/419406047.db2.gz FMMKYPCHJAAWCS-NTZNESFSSA-N 2 1 283.366 3.153 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657815546 419365245 /nfs/dbraw/zinc/36/52/45/419365245.db2.gz IIMWFWWQMDXDDU-CYBMUJFWSA-N 2 1 275.396 3.210 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657824280 419372124 /nfs/dbraw/zinc/37/21/24/419372124.db2.gz FUIZSQHVUWEGNZ-LBPRGKRZSA-N 2 1 289.448 3.431 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCSCC1 ZINC000657822796 419372861 /nfs/dbraw/zinc/37/28/61/419372861.db2.gz BGQBTHWLVXRMEQ-CABCVRRESA-N 2 1 270.486 3.126 20 0 CGADMP CCOC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000657823021 419373081 /nfs/dbraw/zinc/37/30/81/419373081.db2.gz GZAIEJOOIPMHCR-GTPINHCMSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCSCC1 ZINC000657822798 419373405 /nfs/dbraw/zinc/37/34/05/419373405.db2.gz BGQBTHWLVXRMEQ-HUUCEWRRSA-N 2 1 270.486 3.126 20 0 CGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000662249482 419373475 /nfs/dbraw/zinc/37/34/75/419373475.db2.gz VGXTZXCYYILLIP-FQEVSTJZSA-N 2 1 292.426 3.452 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000657835878 419379832 /nfs/dbraw/zinc/37/98/32/419379832.db2.gz OYJGBOCEXDYPCC-KFWWJZLASA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCSCC1)[N@H+]1CCCC[C@H]1C ZINC000657835878 419379839 /nfs/dbraw/zinc/37/98/39/419379839.db2.gz OYJGBOCEXDYPCC-KFWWJZLASA-N 2 1 270.486 3.125 20 0 CGADMP COc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1Cl ZINC000662273263 419381467 /nfs/dbraw/zinc/38/14/67/419381467.db2.gz NDANYJGFJMYKAY-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1Cl ZINC000662273263 419381473 /nfs/dbraw/zinc/38/14/73/419381473.db2.gz NDANYJGFJMYKAY-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)F)nc1 ZINC000657839813 419381951 /nfs/dbraw/zinc/38/19/51/419381951.db2.gz HBXPEYOOYPNKIH-YUTCNCBUSA-N 2 1 295.377 3.297 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)F)nc1 ZINC000657839813 419381956 /nfs/dbraw/zinc/38/19/56/419381956.db2.gz HBXPEYOOYPNKIH-YUTCNCBUSA-N 2 1 295.377 3.297 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662277714 419382172 /nfs/dbraw/zinc/38/21/72/419382172.db2.gz WBNQLLCHKMDBJE-RDBSUJKOSA-N 2 1 274.399 3.132 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000662284895 419383919 /nfs/dbraw/zinc/38/39/19/419383919.db2.gz QHPPBNYKSKZWNO-WMZOPIPTSA-N 2 1 272.436 3.256 20 0 CGADMP C[C@H]1CCC[C@@](C[NH2+]C2CC(CF)(CF)C2)([NH+](C)C)C1 ZINC000657843806 419384398 /nfs/dbraw/zinc/38/43/98/419384398.db2.gz JJSVXXOIMBABGW-XJKSGUPXSA-N 2 1 288.426 3.174 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc2ccncc2s1 ZINC000657945850 419459718 /nfs/dbraw/zinc/45/97/18/419459718.db2.gz MUGHICZKGKKNCY-WCQYABFASA-N 2 1 298.415 3.158 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468818 419619616 /nfs/dbraw/zinc/61/96/16/419619616.db2.gz MWOYJXXHMAEHIK-HOTGVXAUSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468214 419621584 /nfs/dbraw/zinc/62/15/84/419621584.db2.gz KJRCGFOUNOLVME-GVDBMIGSSA-N 2 1 264.457 3.277 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3ccccc23)[C@H](C)C1 ZINC000658215563 419668648 /nfs/dbraw/zinc/66/86/48/419668648.db2.gz UGQNGZYAVIMXGJ-CRAIPNDOSA-N 2 1 299.462 3.041 20 0 CGADMP C[C@H]([NH2+]CCc1ccoc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658202415 419653731 /nfs/dbraw/zinc/65/37/31/419653731.db2.gz TYYJPEHZOZYYLE-QFBILLFUSA-N 2 1 298.430 3.322 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CCNc1[nH+]ccc2[nH]ccc21 ZINC000663603176 419656724 /nfs/dbraw/zinc/65/67/24/419656724.db2.gz GWGPHUSHWJLLAP-CYBMUJFWSA-N 2 1 272.396 3.239 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000291686088 263124896 /nfs/dbraw/zinc/12/48/96/263124896.db2.gz IIOKHPMNRPZWCU-ZDUSSCGKSA-N 2 1 297.393 3.453 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000040640150 270029740 /nfs/dbraw/zinc/02/97/40/270029740.db2.gz VISVWLLUXPGVCR-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534790 270035829 /nfs/dbraw/zinc/03/58/29/270035829.db2.gz JCJGFEBQUXROGV-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000044535853 270036777 /nfs/dbraw/zinc/03/67/77/270036777.db2.gz SQARSMFYVNMTTO-LBPRGKRZSA-N 2 1 287.234 3.425 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187383480 270068657 /nfs/dbraw/zinc/06/86/57/270068657.db2.gz LPKROYAPNMJXAY-HOTGVXAUSA-N 2 1 298.540 3.476 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000191529953 270075007 /nfs/dbraw/zinc/07/50/07/270075007.db2.gz UOBHWIFAYXZQJO-DOTOQJQBSA-N 2 1 260.425 3.411 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000191529953 270075008 /nfs/dbraw/zinc/07/50/08/270075008.db2.gz UOBHWIFAYXZQJO-DOTOQJQBSA-N 2 1 260.425 3.411 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000236864072 270089473 /nfs/dbraw/zinc/08/94/73/270089473.db2.gz QBOITSVMWDSDBC-FXFXYLOPSA-N 2 1 272.436 3.411 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000322281022 270093686 /nfs/dbraw/zinc/09/36/86/270093686.db2.gz NUJFXJWUEBLWPX-WTXIUTQJSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328137296 270094925 /nfs/dbraw/zinc/09/49/25/270094925.db2.gz YTBRAMAZTDRDCV-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328137296 270094926 /nfs/dbraw/zinc/09/49/26/270094926.db2.gz YTBRAMAZTDRDCV-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000335919491 270095404 /nfs/dbraw/zinc/09/54/04/270095404.db2.gz PRVWKNAQDRQEKX-INIZCTEOSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H]1C[C@@H](CC[NH2+]CC2(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000526984205 270123938 /nfs/dbraw/zinc/12/39/38/270123938.db2.gz LSNPEDCPRSFVLA-DOTOQJQBSA-N 2 1 290.426 3.379 20 0 CGADMP CC1(C)CCC[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527730161 270132953 /nfs/dbraw/zinc/13/29/53/270132953.db2.gz RFKDTRDNLHDFHZ-OWCLPIDISA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)C[NH+](C)C ZINC000527899838 270142958 /nfs/dbraw/zinc/14/29/58/270142958.db2.gz FZUYPBDWRKJIGD-BONVTDFDSA-N 2 1 284.806 3.254 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(C)C)CC[N@H+]1C ZINC000527919009 270143755 /nfs/dbraw/zinc/14/37/55/270143755.db2.gz QIDRCHORCKSZCP-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCc3ccccc3CC2)CC[N@H+]1C ZINC000527935456 270145632 /nfs/dbraw/zinc/14/56/32/270145632.db2.gz YRFBMNKIVMUOQV-BEFAXECRSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)CC[N@@H+]1C ZINC000527943311 270146106 /nfs/dbraw/zinc/14/61/06/270146106.db2.gz NTKJKMQXBVMZQP-NVBQRKALSA-N 2 1 290.838 3.050 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)CC[N@H+]1C ZINC000527943311 270146107 /nfs/dbraw/zinc/14/61/07/270146107.db2.gz NTKJKMQXBVMZQP-NVBQRKALSA-N 2 1 290.838 3.050 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000527967168 270147279 /nfs/dbraw/zinc/14/72/79/270147279.db2.gz MMEMRLHGQVMPFV-SFHVURJKSA-N 2 1 287.451 3.387 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530225960 270196831 /nfs/dbraw/zinc/19/68/31/270196831.db2.gz YFKQZBUSHUTTPS-HZPDHXFCSA-N 2 1 258.409 3.258 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000530242724 270197408 /nfs/dbraw/zinc/19/74/08/270197408.db2.gz CXFSDMIHMRMDIP-DZGCQCFKSA-N 2 1 266.816 3.290 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000530623730 270201066 /nfs/dbraw/zinc/20/10/66/270201066.db2.gz YOCOCLXLQITAHE-GOSISDBHSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000530623730 270201067 /nfs/dbraw/zinc/20/10/67/270201067.db2.gz YOCOCLXLQITAHE-GOSISDBHSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000530623730 270201068 /nfs/dbraw/zinc/20/10/68/270201068.db2.gz YOCOCLXLQITAHE-GOSISDBHSA-N 2 1 272.436 3.159 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCC(C)CC1 ZINC000236723046 287653495 /nfs/dbraw/zinc/65/34/95/287653495.db2.gz WZGIQUKDLVQHEK-HOCLYGCPSA-N 2 1 252.446 3.131 20 0 CGADMP COC[C@]1(C[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CCC[NH2+]1 ZINC000423411578 274052737 /nfs/dbraw/zinc/05/27/37/274052737.db2.gz GAFZTMYRYAEQBI-XNRPHZJLSA-N 2 1 294.464 3.045 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290045278 274075937 /nfs/dbraw/zinc/07/59/37/274075937.db2.gz DSHRCUUMDUSJLV-YFHUEUNASA-N 2 1 290.451 3.053 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290045278 274075939 /nfs/dbraw/zinc/07/59/39/274075939.db2.gz DSHRCUUMDUSJLV-YFHUEUNASA-N 2 1 290.451 3.053 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)c2sccc21 ZINC000423278393 274318525 /nfs/dbraw/zinc/31/85/25/274318525.db2.gz PUJFNYXEDZHWJL-ICCXJUOJSA-N 2 1 250.411 3.013 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000348316520 274354839 /nfs/dbraw/zinc/35/48/39/274354839.db2.gz IUOZKJIVMCIBEQ-UBDQQSCGSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000348316520 274354841 /nfs/dbraw/zinc/35/48/41/274354841.db2.gz IUOZKJIVMCIBEQ-UBDQQSCGSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1F)C1C[NH2+]C1 ZINC000422779782 274519561 /nfs/dbraw/zinc/51/95/61/274519561.db2.gz IVOJTBORHFNFDI-LIRRHRJNSA-N 2 1 298.405 3.307 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348532704 274860947 /nfs/dbraw/zinc/86/09/47/274860947.db2.gz IEUCCKCKGLPPOY-HBUWYVDXSA-N 2 1 299.418 3.124 20 0 CGADMP c1ccc(C2CCC(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000414788437 275066770 /nfs/dbraw/zinc/06/67/70/275066770.db2.gz MNSIUCSDTDLKCM-AWRGBYNESA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc(C2CCC(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000414788437 275066772 /nfs/dbraw/zinc/06/67/72/275066772.db2.gz MNSIUCSDTDLKCM-AWRGBYNESA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262398143 275069026 /nfs/dbraw/zinc/06/90/26/275069026.db2.gz CBEQWANIPUGVLW-GJZGRUSLSA-N 2 1 290.410 3.298 20 0 CGADMP C([NH2+]CC1CCCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000089559672 275394813 /nfs/dbraw/zinc/39/48/13/275394813.db2.gz XZEHKCSAEHEIML-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000362086496 275656722 /nfs/dbraw/zinc/65/67/22/275656722.db2.gz LZDISCJIZIALQN-HNNXBMFYSA-N 2 1 288.435 3.015 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000464882273 276072786 /nfs/dbraw/zinc/07/27/86/276072786.db2.gz GHIAUHSQSXSWOE-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000464882273 276072787 /nfs/dbraw/zinc/07/27/87/276072787.db2.gz GHIAUHSQSXSWOE-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000464882273 276072788 /nfs/dbraw/zinc/07/27/88/276072788.db2.gz GHIAUHSQSXSWOE-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000338320755 276096471 /nfs/dbraw/zinc/09/64/71/276096471.db2.gz ZOQZZKJYASZVEJ-HNNXBMFYSA-N 2 1 278.415 3.347 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000338320755 276096472 /nfs/dbraw/zinc/09/64/72/276096472.db2.gz ZOQZZKJYASZVEJ-HNNXBMFYSA-N 2 1 278.415 3.347 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000276866550 276096483 /nfs/dbraw/zinc/09/64/83/276096483.db2.gz HDBYMAKPHUYCBW-INIZCTEOSA-N 2 1 290.451 3.216 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000276866550 276096485 /nfs/dbraw/zinc/09/64/85/276096485.db2.gz HDBYMAKPHUYCBW-INIZCTEOSA-N 2 1 290.451 3.216 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338692861 276151657 /nfs/dbraw/zinc/15/16/57/276151657.db2.gz JZRTZTJKNBBUOA-FHLIZLRMSA-N 2 1 272.436 3.253 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000159310278 276151759 /nfs/dbraw/zinc/15/17/59/276151759.db2.gz AYDZZEACHUWSCR-CYBMUJFWSA-N 2 1 293.430 3.027 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000479475233 276176083 /nfs/dbraw/zinc/17/60/83/276176083.db2.gz FXAPABGIHSGZCX-GVDBMIGSSA-N 2 1 264.457 3.300 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118029 276221573 /nfs/dbraw/zinc/22/15/73/276221573.db2.gz DGMOKJQLEQOMCR-KDOFPFPSSA-N 2 1 297.446 3.477 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000284399154 276225482 /nfs/dbraw/zinc/22/54/82/276225482.db2.gz NGJLMZFLVBFDIU-SZMVWBNQSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000284399154 276225483 /nfs/dbraw/zinc/22/54/83/276225483.db2.gz NGJLMZFLVBFDIU-SZMVWBNQSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000284399154 276225484 /nfs/dbraw/zinc/22/54/84/276225484.db2.gz NGJLMZFLVBFDIU-SZMVWBNQSA-N 2 1 290.451 3.036 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000502299616 276229737 /nfs/dbraw/zinc/22/97/37/276229737.db2.gz IVJKKIHQQGOBIW-IHRRRGAJSA-N 2 1 274.399 3.132 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)[C@@H](C)C1 ZINC000362452909 276231345 /nfs/dbraw/zinc/23/13/45/276231345.db2.gz RBCNKFMENYEZCE-ULQDDVLXSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000449734653 276273992 /nfs/dbraw/zinc/27/39/92/276273992.db2.gz NPQWMVPOILCGMG-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000353940901 276331096 /nfs/dbraw/zinc/33/10/96/276331096.db2.gz CWKOKDLADSVPEJ-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000430711970 276473769 /nfs/dbraw/zinc/47/37/69/276473769.db2.gz GLWTURACUIBROD-SJXGUFTOSA-N 2 1 252.446 3.131 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000281916173 276892180 /nfs/dbraw/zinc/89/21/80/276892180.db2.gz GNTIJACCDQEVSL-LBPRGKRZSA-N 2 1 283.366 3.063 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000374325348 277038412 /nfs/dbraw/zinc/03/84/12/277038412.db2.gz PBEMCVCYNZLJDO-UHFFFAOYSA-N 2 1 278.827 3.400 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000459797428 277073672 /nfs/dbraw/zinc/07/36/72/277073672.db2.gz WQGOQSHKBPKQHR-DYVFJYSZSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)C[C@@H]1c1ccccc1 ZINC000340382854 277173558 /nfs/dbraw/zinc/17/35/58/277173558.db2.gz CVELHOIJGLNUMB-ARFHVFGLSA-N 2 1 290.476 3.306 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)C[C@@H]1c1ccccc1 ZINC000340382854 277173559 /nfs/dbraw/zinc/17/35/59/277173559.db2.gz CVELHOIJGLNUMB-ARFHVFGLSA-N 2 1 290.476 3.306 20 0 CGADMP COC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353593381 277192907 /nfs/dbraw/zinc/19/29/07/277192907.db2.gz KUJDILWJNVLMJU-MFJUZZNBSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247069844 277359514 /nfs/dbraw/zinc/35/95/14/277359514.db2.gz QDALLSBLSOIZEI-ZACQAIPSSA-N 2 1 284.488 3.290 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000367127852 277365174 /nfs/dbraw/zinc/36/51/74/277365174.db2.gz VSTSYQGHGCKNLO-BBWFWOEESA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000090585618 277391949 /nfs/dbraw/zinc/39/19/49/277391949.db2.gz JSVRTEXWRVJADK-GJZGRUSLSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)=CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000393907486 288000764 /nfs/dbraw/zinc/00/07/64/288000764.db2.gz IZXABYHTRPTYBN-MOPGFXCFSA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)=CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000393907486 288000765 /nfs/dbraw/zinc/00/07/65/288000765.db2.gz IZXABYHTRPTYBN-MOPGFXCFSA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)=CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000393907486 288000766 /nfs/dbraw/zinc/00/07/66/288000766.db2.gz IZXABYHTRPTYBN-MOPGFXCFSA-N 2 1 284.447 3.407 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000395132732 288006025 /nfs/dbraw/zinc/00/60/25/288006025.db2.gz ZLBDOGPZWJXCON-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000395132732 288006026 /nfs/dbraw/zinc/00/60/26/288006026.db2.gz ZLBDOGPZWJXCON-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340517761 278232059 /nfs/dbraw/zinc/23/20/59/278232059.db2.gz GFOCYRIPDZMYTA-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000449075869 278253893 /nfs/dbraw/zinc/25/38/93/278253893.db2.gz WKODGPGLSVYVDH-JKIFEVAISA-N 2 1 264.457 3.418 20 0 CGADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000469982457 278330612 /nfs/dbraw/zinc/33/06/12/278330612.db2.gz MRPAQPXGKFLEDU-KRWDZBQOSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)nc1 ZINC000271279749 278335393 /nfs/dbraw/zinc/33/53/93/278335393.db2.gz CFUDPVOKRBACGZ-GFCCVEGCSA-N 2 1 293.842 3.403 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000342098402 278340489 /nfs/dbraw/zinc/34/04/89/278340489.db2.gz IGMXNIFIVVCMSU-SNVBAGLBSA-N 2 1 272.314 3.237 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000422804247 278846003 /nfs/dbraw/zinc/84/60/03/278846003.db2.gz DZCPCLSYNUGNLK-XOKHGSTOSA-N 2 1 258.409 3.176 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000459384305 288086669 /nfs/dbraw/zinc/08/66/69/288086669.db2.gz VPSAGBLYQHMHTA-DZGCQCFKSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000459384305 288086673 /nfs/dbraw/zinc/08/66/73/288086673.db2.gz VPSAGBLYQHMHTA-DZGCQCFKSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000459384305 288086675 /nfs/dbraw/zinc/08/66/75/288086675.db2.gz VPSAGBLYQHMHTA-DZGCQCFKSA-N 2 1 288.426 3.474 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2cc(F)ccc21 ZINC000343612778 278970462 /nfs/dbraw/zinc/97/04/62/278970462.db2.gz QQSVNFZMICZAHJ-HIFRSBDPSA-N 2 1 299.393 3.437 20 0 CGADMP CC(C)C[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595165 279111664 /nfs/dbraw/zinc/11/16/64/279111664.db2.gz UTYWWMCQEOVDSO-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000423268935 279142247 /nfs/dbraw/zinc/14/22/47/279142247.db2.gz VJBYPVQPCQRWLH-TZMCWYRMSA-N 2 1 264.438 3.187 20 0 CGADMP C[N@H+](Cc1ccc(C(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000526970663 288154815 /nfs/dbraw/zinc/15/48/15/288154815.db2.gz ZJKRJLRDNRCTGR-UHFFFAOYSA-N 2 1 282.378 3.398 20 0 CGADMP C[C@H]1C[C@H](CC[NH2+][C@@](C)(C[NH3+])C2CC2)C[C@@H](C)C1 ZINC000430586106 279991652 /nfs/dbraw/zinc/99/16/52/279991652.db2.gz XZXDRGHEAVKTLK-NHIYQJMISA-N 2 1 252.446 3.166 20 0 CGADMP Cc1c[nH+]ccc1NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000359540927 280281470 /nfs/dbraw/zinc/28/14/70/280281470.db2.gz HYWPMEUFTQEBKV-MRXNPFEDSA-N 2 1 283.419 3.134 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529522659 288257165 /nfs/dbraw/zinc/25/71/65/288257165.db2.gz XPZQBTDDSAZVHK-UHFFFAOYSA-N 2 1 285.435 3.473 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529537271 288259645 /nfs/dbraw/zinc/25/96/45/288259645.db2.gz UWAAXPIQKHCEDJ-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000094277941 280954701 /nfs/dbraw/zinc/95/47/01/280954701.db2.gz ZAXMDDMXAPSPHB-HNNXBMFYSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420421731 281018839 /nfs/dbraw/zinc/01/88/39/281018839.db2.gz YSLBYGNRNDPHIY-XHBSWPGZSA-N 2 1 282.378 3.333 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420421731 281018843 /nfs/dbraw/zinc/01/88/43/281018843.db2.gz YSLBYGNRNDPHIY-XHBSWPGZSA-N 2 1 282.378 3.333 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000532442731 288361019 /nfs/dbraw/zinc/36/10/19/288361019.db2.gz IFUJRZAHBRPZIA-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CCCCC1 ZINC000085670885 282045218 /nfs/dbraw/zinc/04/52/18/282045218.db2.gz UOLNWNYAKXBCLE-OAGGEKHMSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000549237279 289038767 /nfs/dbraw/zinc/03/87/67/289038767.db2.gz MKADSPZFVKKWHE-FUHWJXTLSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000549237279 289038768 /nfs/dbraw/zinc/03/87/68/289038768.db2.gz MKADSPZFVKKWHE-FUHWJXTLSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCc4ccccc4C3)C2)C1 ZINC000549839879 289055563 /nfs/dbraw/zinc/05/55/63/289055563.db2.gz BIIYQLJCSVWRRR-XLIONFOSSA-N 2 1 298.474 3.209 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cscn2)CC1 ZINC000550708586 289082912 /nfs/dbraw/zinc/08/29/12/289082912.db2.gz PBFAMJKVJBUCMU-UHFFFAOYSA-N 2 1 295.496 3.130 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H]2CCC[C@H]21 ZINC000552246602 289175083 /nfs/dbraw/zinc/17/50/83/289175083.db2.gz ZGSWODAUPJMADX-KNXALSJPSA-N 2 1 296.817 3.442 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H]2CCC[C@H]21 ZINC000552246602 289175085 /nfs/dbraw/zinc/17/50/85/289175085.db2.gz ZGSWODAUPJMADX-KNXALSJPSA-N 2 1 296.817 3.442 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554050350 289253484 /nfs/dbraw/zinc/25/34/84/289253484.db2.gz JRZYVBWAGRUUAY-IUKJFTNHSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554050350 289253487 /nfs/dbraw/zinc/25/34/87/289253487.db2.gz JRZYVBWAGRUUAY-IUKJFTNHSA-N 2 1 264.457 3.131 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554049597 289253496 /nfs/dbraw/zinc/25/34/96/289253496.db2.gz UHJWFOIKUDFMAC-MOPGFXCFSA-N 2 1 284.447 3.429 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CCCC1 ZINC000554349876 289273632 /nfs/dbraw/zinc/27/36/32/289273632.db2.gz RKYPKNBEWAFVPU-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000556262225 289383289 /nfs/dbraw/zinc/38/32/89/289383289.db2.gz WXZMGIKWRSQVDK-RANZSIQMSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000556262225 289383295 /nfs/dbraw/zinc/38/32/95/289383295.db2.gz WXZMGIKWRSQVDK-RANZSIQMSA-N 2 1 290.426 3.377 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000562019149 289667703 /nfs/dbraw/zinc/66/77/03/289667703.db2.gz HCUISOJMBUMISQ-QCODTGAPSA-N 2 1 252.446 3.131 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[NH+](C)C ZINC000562020017 289668101 /nfs/dbraw/zinc/66/81/01/289668101.db2.gz QYAZODZERQZEQP-OAGGEKHMSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449081727 290386260 /nfs/dbraw/zinc/38/62/60/290386260.db2.gz HMCDQAIBGKMJTH-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CCCC1 ZINC000423516894 295244238 /nfs/dbraw/zinc/24/42/38/295244238.db2.gz YHAIFNNLVUXUON-DLBZAZTESA-N 2 1 276.399 3.310 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000424379539 295301073 /nfs/dbraw/zinc/30/10/73/295301073.db2.gz VOODPHLVQRTKSH-MGPQQGTHSA-N 2 1 280.412 3.222 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423391364 297109843 /nfs/dbraw/zinc/10/98/43/297109843.db2.gz KYAPMYFDJVUFMO-LYIQGSDWSA-N 2 1 282.478 3.261 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362959 298355741 /nfs/dbraw/zinc/35/57/41/298355741.db2.gz IOMCQZFVZUFBPW-ZLENFMNRSA-N 2 1 294.389 3.189 20 0 CGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423410013 301021999 /nfs/dbraw/zinc/02/19/99/301021999.db2.gz ZMIDLXRPAYWGGT-OSAQELSMSA-N 2 1 272.392 3.390 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2ccccn2)c1 ZINC000423026641 302033934 /nfs/dbraw/zinc/03/39/34/302033934.db2.gz QKJXPWMZAAHVBS-RKVPGOIHSA-N 2 1 283.419 3.195 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000125209136 302243258 /nfs/dbraw/zinc/24/32/58/302243258.db2.gz UGSSXOFGIYJQHX-CVEARBPZSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000125209136 302243260 /nfs/dbraw/zinc/24/32/60/302243260.db2.gz UGSSXOFGIYJQHX-CVEARBPZSA-N 2 1 275.440 3.161 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000423139196 303467066 /nfs/dbraw/zinc/46/70/66/303467066.db2.gz ZETWHZFIGZEVKN-OUAUKWLOSA-N 2 1 270.829 3.248 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000388756634 328300354 /nfs/dbraw/zinc/30/03/54/328300354.db2.gz RXJVZUYIFLFTRN-KBUPBQIOSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000563822816 322011761 /nfs/dbraw/zinc/01/17/61/322011761.db2.gz ITXPPMWIOJYBRL-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000563822816 322011764 /nfs/dbraw/zinc/01/17/64/322011764.db2.gz ITXPPMWIOJYBRL-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP Clc1cc2cccnc2c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000564667038 322038484 /nfs/dbraw/zinc/03/84/84/322038484.db2.gz ICJGPGCPKYRKMS-UHFFFAOYSA-N 2 1 289.810 3.074 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2C=CCCCCC2)CC1 ZINC000565435395 322077760 /nfs/dbraw/zinc/07/77/60/322077760.db2.gz VEARPTPRDZOOPD-HOTGVXAUSA-N 2 1 250.430 3.291 20 0 CGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OC)cc1 ZINC000566017232 322100845 /nfs/dbraw/zinc/10/08/45/322100845.db2.gz DRSGPXUKEPGIRX-KRWDZBQOSA-N 2 1 287.407 3.102 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]Cc1ccc2c(n1)CCC2)C(C)(C)C ZINC000566054539 322102213 /nfs/dbraw/zinc/10/22/13/322102213.db2.gz JDOSNZSNLJQOKB-KRWDZBQOSA-N 2 1 289.467 3.026 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000566796956 322138244 /nfs/dbraw/zinc/13/82/44/322138244.db2.gz PNADDCAOENSYPH-NXEZZACHSA-N 2 1 281.450 3.087 20 0 CGADMP C[C@@]1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCC[NH2+]C1 ZINC000567654828 322172310 /nfs/dbraw/zinc/17/23/10/322172310.db2.gz MINNJAZDPLDVSG-NVXWUHKLSA-N 2 1 290.455 3.010 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000568105407 322193244 /nfs/dbraw/zinc/19/32/44/322193244.db2.gz UDPRLFRMBFBEOE-YJBOKZPZSA-N 2 1 283.419 3.436 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000568105407 322193246 /nfs/dbraw/zinc/19/32/46/322193246.db2.gz UDPRLFRMBFBEOE-YJBOKZPZSA-N 2 1 283.419 3.436 20 0 CGADMP CCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000568169680 322195777 /nfs/dbraw/zinc/19/57/77/322195777.db2.gz QNWZSWZTETZPJK-UHFFFAOYSA-N 2 1 271.408 3.265 20 0 CGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000568169680 322195780 /nfs/dbraw/zinc/19/57/80/322195780.db2.gz QNWZSWZTETZPJK-UHFFFAOYSA-N 2 1 271.408 3.265 20 0 CGADMP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)c1 ZINC000568368461 322206264 /nfs/dbraw/zinc/20/62/64/322206264.db2.gz PXAPXHPJVVQRJM-IAGOWNOFSA-N 2 1 290.451 3.076 20 0 CGADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)c1 ZINC000568368461 322206267 /nfs/dbraw/zinc/20/62/67/322206267.db2.gz PXAPXHPJVVQRJM-IAGOWNOFSA-N 2 1 290.451 3.076 20 0 CGADMP c1nc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000568374410 322206404 /nfs/dbraw/zinc/20/64/04/322206404.db2.gz VGUIJQFTJOPMHP-INIZCTEOSA-N 2 1 298.434 3.013 20 0 CGADMP c1nc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000568374410 322206408 /nfs/dbraw/zinc/20/64/08/322206408.db2.gz VGUIJQFTJOPMHP-INIZCTEOSA-N 2 1 298.434 3.013 20 0 CGADMP c1nc2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC000568374410 322206410 /nfs/dbraw/zinc/20/64/10/322206410.db2.gz VGUIJQFTJOPMHP-INIZCTEOSA-N 2 1 298.434 3.013 20 0 CGADMP c1nc2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC000568374410 322206413 /nfs/dbraw/zinc/20/64/13/322206413.db2.gz VGUIJQFTJOPMHP-INIZCTEOSA-N 2 1 298.434 3.013 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000569044784 322232528 /nfs/dbraw/zinc/23/25/28/322232528.db2.gz QLQZIMMPROREIP-HNNXBMFYSA-N 2 1 274.452 3.111 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000569044784 322232530 /nfs/dbraw/zinc/23/25/30/322232530.db2.gz QLQZIMMPROREIP-HNNXBMFYSA-N 2 1 274.452 3.111 20 0 CGADMP CC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000569064753 322233552 /nfs/dbraw/zinc/23/35/52/322233552.db2.gz PVHDTCFYMFJUSU-UHFFFAOYSA-N 2 1 273.424 3.199 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccc(Cl)cc1 ZINC000569136314 322236224 /nfs/dbraw/zinc/23/62/24/322236224.db2.gz CFJFAUOVXHVFIQ-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP CC1CCC(O)(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000569212851 322239323 /nfs/dbraw/zinc/23/93/23/322239323.db2.gz VVZSIKNAGNLWCI-ADKAHSJRSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC000569661965 322253139 /nfs/dbraw/zinc/25/31/39/322253139.db2.gz CEXKAPCEPCPXJS-ABFRBSLYSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000570058877 322264025 /nfs/dbraw/zinc/26/40/25/322264025.db2.gz KONHQRJUTSULDV-YLFCFFPRSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000570938331 322285849 /nfs/dbraw/zinc/28/58/49/322285849.db2.gz VZGFHTKBCQKEAV-RDJZCZTQSA-N 2 1 290.451 3.423 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000571942671 322312950 /nfs/dbraw/zinc/31/29/50/322312950.db2.gz JNLLUZRVPILJEX-LMSBXDPUSA-N 2 1 272.436 3.110 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000572503260 322340829 /nfs/dbraw/zinc/34/08/29/322340829.db2.gz OFDGVPYUPYNBKG-JKSUJKDBSA-N 2 1 294.389 3.457 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000572503260 322340833 /nfs/dbraw/zinc/34/08/33/322340833.db2.gz OFDGVPYUPYNBKG-JKSUJKDBSA-N 2 1 294.389 3.457 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000573481301 322389835 /nfs/dbraw/zinc/38/98/35/322389835.db2.gz TUSHIPPYGDWNHC-HIFRSBDPSA-N 2 1 269.392 3.438 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2c1 ZINC000573481301 322389839 /nfs/dbraw/zinc/38/98/39/322389839.db2.gz TUSHIPPYGDWNHC-HIFRSBDPSA-N 2 1 269.392 3.438 20 0 CGADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000573574457 322395702 /nfs/dbraw/zinc/39/57/02/322395702.db2.gz ZUPSFNKDGZJCCA-UHFFFAOYSA-N 2 1 263.429 3.253 20 0 CGADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000573574457 322395704 /nfs/dbraw/zinc/39/57/04/322395704.db2.gz ZUPSFNKDGZJCCA-UHFFFAOYSA-N 2 1 263.429 3.253 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000574288413 322433251 /nfs/dbraw/zinc/43/32/51/322433251.db2.gz NAXHDWLFXYXMBL-UHFFFAOYSA-N 2 1 275.371 3.017 20 0 CGADMP C[C@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000389014717 328602845 /nfs/dbraw/zinc/60/28/45/328602845.db2.gz XOKBSALYFSDFAH-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@@H](C)C[NH+](C)C ZINC000584348011 328633473 /nfs/dbraw/zinc/63/34/73/328633473.db2.gz UBQOHSYVPLAQRS-GFCCVEGCSA-N 2 1 257.381 3.153 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CCCC1 ZINC000395688352 329294425 /nfs/dbraw/zinc/29/44/25/329294425.db2.gz YQEGTUCXWOUDJZ-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000576983678 335273219 /nfs/dbraw/zinc/27/32/19/335273219.db2.gz FLKQEBBSFOGYPR-CQSZACIVSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccn2)cc1 ZINC000578082872 335484084 /nfs/dbraw/zinc/48/40/84/335484084.db2.gz BPYQTQQZKWOIFO-LMMKCTJWSA-N 2 1 295.430 3.339 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000383266006 336106721 /nfs/dbraw/zinc/10/67/21/336106721.db2.gz HPOVHRCXFHZWOB-GVDBMIGSSA-N 2 1 272.436 3.357 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000385188066 336141462 /nfs/dbraw/zinc/14/14/62/336141462.db2.gz ODJBWLMVTQTOKG-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccncc2F)C1 ZINC000449081112 533797307 /nfs/dbraw/zinc/79/73/07/533797307.db2.gz BVWQJKCPLLQFEL-GASCZTMLSA-N 2 1 293.430 3.068 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2nc3ccccc3s2)CC[NH2+]1 ZINC000414685069 533838567 /nfs/dbraw/zinc/83/85/67/533838567.db2.gz XSEYLJVSWHYAQC-CHWSQXEVSA-N 2 1 289.448 3.116 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414173497 533874395 /nfs/dbraw/zinc/87/43/95/533874395.db2.gz GHKBREHXWMUPSN-WMLDXEAASA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCCc2ccccc21)c1c[nH+]ccc1N ZINC000423014181 533892235 /nfs/dbraw/zinc/89/22/35/533892235.db2.gz HPAGDXUWWYQPTK-IFXJQAMLSA-N 2 1 295.430 3.439 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436305542 533895609 /nfs/dbraw/zinc/89/56/09/533895609.db2.gz NKVFEFCLXAPEDL-SCTFDZSOSA-N 2 1 294.389 3.141 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436305542 533895618 /nfs/dbraw/zinc/89/56/18/533895618.db2.gz NKVFEFCLXAPEDL-SCTFDZSOSA-N 2 1 294.389 3.141 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000420370597 533907694 /nfs/dbraw/zinc/90/76/94/533907694.db2.gz JRMVUFIBAOUCSF-IUCAKERBSA-N 2 1 291.197 3.393 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000093693215 535596975 /nfs/dbraw/zinc/59/69/75/535596975.db2.gz JVAJVHSGYQZBDW-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CC(C)(C)c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000261969965 519096626 /nfs/dbraw/zinc/09/66/26/519096626.db2.gz ICVMFJJTQNJSTO-UHFFFAOYSA-N 2 1 293.480 3.016 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000339413744 519794251 /nfs/dbraw/zinc/79/42/51/519794251.db2.gz OCYSYRBXLGTFDA-SJORKVTESA-N 2 1 260.425 3.097 20 0 CGADMP c1cc2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2o1 ZINC000449072988 534476166 /nfs/dbraw/zinc/47/61/66/534476166.db2.gz HCWUJERPGSITSN-ZDUSSCGKSA-N 2 1 270.376 3.007 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000163379853 521581016 /nfs/dbraw/zinc/58/10/16/521581016.db2.gz LXEAHVOGXATYHN-LLVKDONJSA-N 2 1 266.351 3.181 20 0 CGADMP COC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000156220058 522351337 /nfs/dbraw/zinc/35/13/37/522351337.db2.gz NUKMTSURLFXTMS-SJLPKXTDSA-N 2 1 292.467 3.158 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)C1CCCC1 ZINC000423533463 534678111 /nfs/dbraw/zinc/67/81/11/534678111.db2.gz TYLJBTNGCWODGD-HUUCEWRRSA-N 2 1 276.449 3.331 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)oc21 ZINC000049553734 524261791 /nfs/dbraw/zinc/26/17/91/524261791.db2.gz ZCRNVACBBGWXQZ-STQMWFEESA-N 2 1 290.407 3.432 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433795 524478616 /nfs/dbraw/zinc/47/86/16/524478616.db2.gz GXVUUFSVNZVERW-RYUDHWBXSA-N 2 1 277.437 3.287 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000157770233 524809357 /nfs/dbraw/zinc/80/93/57/524809357.db2.gz FPMVUUBPVDWNSQ-GUYCJALGSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156092091 524860010 /nfs/dbraw/zinc/86/00/10/524860010.db2.gz MEDYTTBUBNKYSQ-FZMZJTMJSA-N 2 1 268.351 3.183 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000157679106 525090576 /nfs/dbraw/zinc/09/05/76/525090576.db2.gz RGNKHJFSIOTSSK-GYXIZQIFSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000157679106 525090587 /nfs/dbraw/zinc/09/05/87/525090587.db2.gz RGNKHJFSIOTSSK-GYXIZQIFSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370935 534878826 /nfs/dbraw/zinc/87/88/26/534878826.db2.gz FGDMDSWEGJJCNF-RAIGVLPGSA-N 2 1 281.469 3.495 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000513091305 534912728 /nfs/dbraw/zinc/91/27/28/534912728.db2.gz ZNDNVCBJYFTLBD-PBHICJAKSA-N 2 1 278.415 3.221 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000513091305 534912732 /nfs/dbraw/zinc/91/27/32/534912732.db2.gz ZNDNVCBJYFTLBD-PBHICJAKSA-N 2 1 278.415 3.221 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449203565 527987532 /nfs/dbraw/zinc/98/75/32/527987532.db2.gz HFOMAROBPZCXDW-NVXWUHKLSA-N 2 1 278.440 3.168 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C)cc2OC)C1 ZINC000449028249 528184431 /nfs/dbraw/zinc/18/44/31/528184431.db2.gz KUROAAKOXHKZMY-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2OC)C1 ZINC000449028249 528184436 /nfs/dbraw/zinc/18/44/36/528184436.db2.gz KUROAAKOXHKZMY-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152653825 528203761 /nfs/dbraw/zinc/20/37/61/528203761.db2.gz NYTRZNXAKZWGHU-CYBMUJFWSA-N 2 1 294.414 3.359 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436275807 528255120 /nfs/dbraw/zinc/25/51/20/528255120.db2.gz QTISRHXKVHLWNG-ZDUSSCGKSA-N 2 1 289.398 3.129 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccnc2)C(C)C)C1 ZINC000359386609 528261037 /nfs/dbraw/zinc/26/10/37/528261037.db2.gz KUMIYBWLRBKRKV-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423268288 528310331 /nfs/dbraw/zinc/31/03/31/528310331.db2.gz URLSGGJBZQYFJA-ZFWWWQNUSA-N 2 1 274.408 3.327 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000423236424 528332562 /nfs/dbraw/zinc/33/25/62/528332562.db2.gz CJSGERYZYVJQNF-MRXNPFEDSA-N 2 1 282.431 3.406 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423229607 528332603 /nfs/dbraw/zinc/33/26/03/528332603.db2.gz BQXKTGUAXSCCPL-GFCCVEGCSA-N 2 1 288.357 3.226 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423408931 528476020 /nfs/dbraw/zinc/47/60/20/528476020.db2.gz YEJWAWVAROQDDY-SLEUVZQESA-N 2 1 296.842 3.387 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423261521 528533273 /nfs/dbraw/zinc/53/32/73/528533273.db2.gz JZMLHQCKRFSASI-MFKMUULPSA-N 2 1 274.330 3.339 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423364049 528596977 /nfs/dbraw/zinc/59/69/77/528596977.db2.gz JHJVQRMEOASJCZ-GXFFZTMASA-N 2 1 274.330 3.339 20 0 CGADMP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H]([NH3+])CC)cc1OCC ZINC000423483603 528598173 /nfs/dbraw/zinc/59/81/73/528598173.db2.gz YAJVYWGVEQKCLY-LSDHHAIUSA-N 2 1 294.439 3.262 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)C2)[C@@H](C)C1 ZINC000359040627 528669101 /nfs/dbraw/zinc/66/91/01/528669101.db2.gz ZPNLUKLZTUWWTM-FJIDUMEYSA-N 2 1 296.499 3.149 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(CC)sc21 ZINC000423297798 528821414 /nfs/dbraw/zinc/82/14/14/528821414.db2.gz LXVMSMPTTMJCPA-NWDGAFQWSA-N 2 1 281.469 3.190 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)[NH+](C)C ZINC000424257142 528822786 /nfs/dbraw/zinc/82/27/86/528822786.db2.gz AZBWACFYPUNSTD-MDMSPXHWSA-N 2 1 296.499 3.146 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423301502 528823451 /nfs/dbraw/zinc/82/34/51/528823451.db2.gz TZVIUHJJHBCUIC-YPMHNXCESA-N 2 1 266.454 3.405 20 0 CGADMP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519746 528901214 /nfs/dbraw/zinc/90/12/14/528901214.db2.gz QLBUAWQWXXQTDC-AQEOSJORSA-N 2 1 295.515 3.007 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000423289734 528954403 /nfs/dbraw/zinc/95/44/03/528954403.db2.gz XXMGGOMCSBQBBO-AWEZNQCLSA-N 2 1 267.392 3.025 20 0 CGADMP CCC[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423325524 529021988 /nfs/dbraw/zinc/02/19/88/529021988.db2.gz LNNSAVOSQMVSPZ-ZWNOBZJWSA-N 2 1 274.330 3.483 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H](C)C3)sc2C1 ZINC000436404328 529084989 /nfs/dbraw/zinc/08/49/89/529084989.db2.gz LOZBMHISCHJHKE-CHWSQXEVSA-N 2 1 293.480 3.188 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H](C)C3)sc2C1 ZINC000436404328 529084993 /nfs/dbraw/zinc/08/49/93/529084993.db2.gz LOZBMHISCHJHKE-CHWSQXEVSA-N 2 1 293.480 3.188 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423316489 529173423 /nfs/dbraw/zinc/17/34/23/529173423.db2.gz JQQSTJYYXXIFHQ-ZIAGYGMSSA-N 2 1 297.240 3.227 20 0 CGADMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437349818 529180945 /nfs/dbraw/zinc/18/09/45/529180945.db2.gz UJEZHFPNSNDSMR-HNNXBMFYSA-N 2 1 270.486 3.126 20 0 CGADMP CCSCC[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437349818 529180948 /nfs/dbraw/zinc/18/09/48/529180948.db2.gz UJEZHFPNSNDSMR-HNNXBMFYSA-N 2 1 270.486 3.126 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423279574 529206514 /nfs/dbraw/zinc/20/65/14/529206514.db2.gz RNIUNSLWXCHYPX-ZIAGYGMSSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[C@H]1CCOC1 ZINC000482868915 535802850 /nfs/dbraw/zinc/80/28/50/535802850.db2.gz MFERXAODZGCNQW-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[C@H]1CCOC1 ZINC000482868915 535802851 /nfs/dbraw/zinc/80/28/51/535802851.db2.gz MFERXAODZGCNQW-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312913442 536059694 /nfs/dbraw/zinc/05/96/94/536059694.db2.gz BFBAWYXRIAGOPZ-HLLBOEOZSA-N 2 1 276.399 3.208 20 0 CGADMP CC[C@H]1C[C@@]1([NH2+]CCc1c[nH+]cn1C)c1cccc(C)c1 ZINC000459449969 536172366 /nfs/dbraw/zinc/17/23/66/536172366.db2.gz NRXYCJBABGFHGI-YJBOKZPZSA-N 2 1 283.419 3.186 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3occc3c2)C1 ZINC000459729673 536384058 /nfs/dbraw/zinc/38/40/58/536384058.db2.gz DGRJIQFLHJPWEZ-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166329645 571740297 /nfs/dbraw/zinc/74/02/97/571740297.db2.gz WZWPTLYLBAAQMA-CPUCHLNUSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166329645 571740299 /nfs/dbraw/zinc/74/02/99/571740299.db2.gz WZWPTLYLBAAQMA-CPUCHLNUSA-N 2 1 258.409 3.055 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000382360976 572358721 /nfs/dbraw/zinc/35/87/21/572358721.db2.gz MMAREFFXKDFOAG-WBMJQRKESA-N 2 1 280.843 3.126 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000382360976 572358724 /nfs/dbraw/zinc/35/87/24/572358724.db2.gz MMAREFFXKDFOAG-WBMJQRKESA-N 2 1 280.843 3.126 20 0 CGADMP CC[C@H](C[NH2+]C1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC000742366879 572567268 /nfs/dbraw/zinc/56/72/68/572567268.db2.gz ZRHMWMQMZXHCIS-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2nccc3ccccc32)C1 ZINC000749288169 572991602 /nfs/dbraw/zinc/99/16/02/572991602.db2.gz WRVYKXMHZPGRDI-JKSUJKDBSA-N 2 1 283.419 3.197 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000801925690 630367986 /nfs/dbraw/zinc/36/79/86/630367986.db2.gz QEWWYPABXCJSKS-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP C[C@H](c1ccco1)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000891803216 618307663 /nfs/dbraw/zinc/30/76/63/618307663.db2.gz VMPKDMIEVOQLPP-CYBMUJFWSA-N 2 1 262.397 3.147 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(O)cc(Cl)c2)[C@H](C)C1 ZINC000892106176 618535019 /nfs/dbraw/zinc/53/50/19/618535019.db2.gz SFNZZIDIJTXNRL-WBMJQRKESA-N 2 1 296.842 3.208 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(O)cc(Cl)c2)[C@H](C)C1 ZINC000892106176 618535022 /nfs/dbraw/zinc/53/50/22/618535022.db2.gz SFNZZIDIJTXNRL-WBMJQRKESA-N 2 1 296.842 3.208 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(O)cc(Cl)c2)[C@H](C)C1 ZINC000892106176 618535028 /nfs/dbraw/zinc/53/50/28/618535028.db2.gz SFNZZIDIJTXNRL-WBMJQRKESA-N 2 1 296.842 3.208 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(O)cc(Cl)c2)[C@H](C)C1 ZINC000892106176 618535029 /nfs/dbraw/zinc/53/50/29/618535029.db2.gz SFNZZIDIJTXNRL-WBMJQRKESA-N 2 1 296.842 3.208 20 0 CGADMP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000235117319 618665623 /nfs/dbraw/zinc/66/56/23/618665623.db2.gz WIRIZRJAOPBLJH-GOOCMWNKSA-N 2 1 282.497 3.267 20 0 CGADMP CC[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926510629 618717812 /nfs/dbraw/zinc/71/78/12/618717812.db2.gz XDZRMHYPBHQUGU-CIQAELJKSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(C2CCC2)c1 ZINC000926557658 618740731 /nfs/dbraw/zinc/74/07/31/618740731.db2.gz DDAKGONFFPVCAN-AWEZNQCLSA-N 2 1 290.455 3.133 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000892479689 618803235 /nfs/dbraw/zinc/80/32/35/618803235.db2.gz KUAOHWDXHHOOGG-UHFFFAOYSA-N 2 1 289.467 3.243 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CCCCC1 ZINC000924561932 618835269 /nfs/dbraw/zinc/83/52/69/618835269.db2.gz YMLZPOBOAUOLQK-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cnc1F ZINC000892585635 618867549 /nfs/dbraw/zinc/86/75/49/618867549.db2.gz WWIZRDOEHZRKGH-HNNXBMFYSA-N 2 1 293.430 3.273 20 0 CGADMP COC1CCC(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000892585911 618868232 /nfs/dbraw/zinc/86/82/32/618868232.db2.gz YVKSYEOBNCXGSY-WWDZGPRUSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000309452492 618896990 /nfs/dbraw/zinc/89/69/90/618896990.db2.gz RIAFLGNPWUJVHO-GWCFXTLKSA-N 2 1 285.229 3.179 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000309452492 618896991 /nfs/dbraw/zinc/89/69/91/618896991.db2.gz RIAFLGNPWUJVHO-GWCFXTLKSA-N 2 1 285.229 3.179 20 0 CGADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925574880 619070279 /nfs/dbraw/zinc/07/02/79/619070279.db2.gz COVGLCCQOYJNPV-DDBAPUKQSA-N 2 1 290.451 3.116 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000925710604 619157084 /nfs/dbraw/zinc/15/70/84/619157084.db2.gz XFWPWJHRQUHMKV-AWEZNQCLSA-N 2 1 297.402 3.254 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC000931437278 619163322 /nfs/dbraw/zinc/16/33/22/619163322.db2.gz QVECOKHFLKBDCI-CABCVRRESA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC000931437278 619163324 /nfs/dbraw/zinc/16/33/24/619163324.db2.gz QVECOKHFLKBDCI-CABCVRRESA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC000931437278 619163325 /nfs/dbraw/zinc/16/33/25/619163325.db2.gz QVECOKHFLKBDCI-CABCVRRESA-N 2 1 280.362 3.008 20 0 CGADMP C[C@@H]([NH3+])[C@H](NCC1(C)CC(F)(F)C1)c1ccccc1 ZINC000925734998 619209472 /nfs/dbraw/zinc/20/94/72/619209472.db2.gz WVSCDUSCAJVDPT-YPMHNXCESA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1 ZINC000925734998 619209474 /nfs/dbraw/zinc/20/94/74/619209474.db2.gz WVSCDUSCAJVDPT-YPMHNXCESA-N 2 1 268.351 3.100 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3cccc(F)c3)CC[C@H]21 ZINC000894096935 619370891 /nfs/dbraw/zinc/37/08/91/619370891.db2.gz ZIXRNVHRJJJQKK-AWHHDIADSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3cccc(F)c3)CC[C@H]21 ZINC000894096935 619370895 /nfs/dbraw/zinc/37/08/95/619370895.db2.gz ZIXRNVHRJJJQKK-AWHHDIADSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3cccc(F)c3)CC[C@H]21 ZINC000894096935 619370898 /nfs/dbraw/zinc/37/08/98/619370898.db2.gz ZIXRNVHRJJJQKK-AWHHDIADSA-N 2 1 288.410 3.255 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261719925 619386765 /nfs/dbraw/zinc/38/67/65/619386765.db2.gz FSFKRAPFUQFXOA-CXAGYDPISA-N 2 1 272.392 3.425 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261792175 619431161 /nfs/dbraw/zinc/43/11/61/619431161.db2.gz GEWRSVPWNQZNSU-AEGPPILISA-N 2 1 298.352 3.183 20 0 CGADMP Cc1ncsc1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924970122 619467883 /nfs/dbraw/zinc/46/78/83/619467883.db2.gz MGRLMGRYKSYFPP-UHFFFAOYSA-N 2 1 281.469 3.052 20 0 CGADMP C[N@@H+](Cc1csc2ccccc12)C[C@@]1(C)CC[NH2+]C1 ZINC000261927903 619480236 /nfs/dbraw/zinc/48/02/36/619480236.db2.gz CJMVBHBUZBHURV-INIZCTEOSA-N 2 1 274.433 3.333 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000894476295 619549030 /nfs/dbraw/zinc/54/90/30/619549030.db2.gz OYEDZTVCGJQRKP-CQSZACIVSA-N 2 1 299.418 3.037 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000894476295 619549032 /nfs/dbraw/zinc/54/90/32/619549032.db2.gz OYEDZTVCGJQRKP-CQSZACIVSA-N 2 1 299.418 3.037 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894763671 619628775 /nfs/dbraw/zinc/62/87/75/619628775.db2.gz OLSHCLSADYIZCI-UHFFFAOYSA-N 2 1 297.855 3.333 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894763671 619628779 /nfs/dbraw/zinc/62/87/79/619628779.db2.gz OLSHCLSADYIZCI-UHFFFAOYSA-N 2 1 297.855 3.333 20 0 CGADMP Cc1cc[nH+]c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C1CC1 ZINC000895347766 619809466 /nfs/dbraw/zinc/80/94/66/619809466.db2.gz PUYHCJSGEARLOF-GOOCMWNKSA-N 2 1 271.408 3.305 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000895375419 619817358 /nfs/dbraw/zinc/81/73/58/619817358.db2.gz AWGPUWFMNYYPRC-WFASDCNBSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000895375419 619817359 /nfs/dbraw/zinc/81/73/59/619817359.db2.gz AWGPUWFMNYYPRC-WFASDCNBSA-N 2 1 281.469 3.004 20 0 CGADMP CC[C@@H]1C[C@H](C[N@@H+](C)CCCC[NH+]2CCCCC2)CCO1 ZINC000895683487 619872397 /nfs/dbraw/zinc/87/23/97/619872397.db2.gz MCOCKUUGBVCDCW-QZTJIDSGSA-N 2 1 296.499 3.390 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000898017508 620467056 /nfs/dbraw/zinc/46/70/56/620467056.db2.gz OKJSCLSZWRCEMQ-IHRRRGAJSA-N 2 1 274.399 3.132 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000924647403 620555214 /nfs/dbraw/zinc/55/52/14/620555214.db2.gz JLPFMPWIAKYSBI-WMLDXEAASA-N 2 1 270.420 3.056 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@@H+]1CCCC[C@@H]1C ZINC000924661294 620557992 /nfs/dbraw/zinc/55/79/92/620557992.db2.gz OEVGHVBSMDQJQC-MGLUKCQKSA-N 2 1 282.497 3.266 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@H+]1CCCC[C@@H]1C ZINC000924661294 620557996 /nfs/dbraw/zinc/55/79/96/620557996.db2.gz OEVGHVBSMDQJQC-MGLUKCQKSA-N 2 1 282.497 3.266 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000902040846 621113083 /nfs/dbraw/zinc/11/30/83/621113083.db2.gz AMNTYKCMVRHAFN-UHFFFAOYSA-N 2 1 275.440 3.002 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331627 621266452 /nfs/dbraw/zinc/26/64/52/621266452.db2.gz BWJVFAWMRSGYJW-ZDUSSCGKSA-N 2 1 264.388 3.002 20 0 CGADMP COc1ccccc1C1([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902390762 621301945 /nfs/dbraw/zinc/30/19/45/621301945.db2.gz AOJMXVSZMONSGO-CQSZACIVSA-N 2 1 288.435 3.052 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(OCc2ccccc2)cc1 ZINC000902415249 621308541 /nfs/dbraw/zinc/30/85/41/621308541.db2.gz MJZTYGVTGYICNT-OAHLLOKOSA-N 2 1 296.414 3.408 20 0 CGADMP CC[C@H](C[NH2+][C@@H](CC(C)C)C1CCOCC1)[NH+]1CCCC1 ZINC000902741165 621421494 /nfs/dbraw/zinc/42/14/94/621421494.db2.gz NCOISADQYNPLMW-MSOLQXFVSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902789401 621447209 /nfs/dbraw/zinc/44/72/09/621447209.db2.gz GYNXADBXSMSJOE-DOTOQJQBSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902819751 621456108 /nfs/dbraw/zinc/45/61/08/621456108.db2.gz WSAURXCBMGYLOC-MUJYYYPQSA-N 2 1 261.413 3.140 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903097404 621586287 /nfs/dbraw/zinc/58/62/87/621586287.db2.gz FPMXVEQIESWXLU-IBWRZXHSSA-N 2 1 294.508 3.408 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC2(c3ccccc3)CC2)CC[N@H+]1C ZINC000903170072 621618607 /nfs/dbraw/zinc/61/86/07/621618607.db2.gz CSLHWYVGCLQUAH-NVXWUHKLSA-N 2 1 272.436 3.181 20 0 CGADMP c1ccc(C2(CC[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000903171022 621619366 /nfs/dbraw/zinc/61/93/66/621619366.db2.gz PRBXQPSDKOSOQW-UHFFFAOYSA-N 2 1 284.447 3.325 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903341502 621695600 /nfs/dbraw/zinc/69/56/00/621695600.db2.gz YZHFHZWNMZTKSE-GOSISDBHSA-N 2 1 287.451 3.243 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903384399 621725818 /nfs/dbraw/zinc/72/58/18/621725818.db2.gz RNHQENXMVVTAEP-YOEHRIQHSA-N 2 1 275.440 3.243 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2CCc2ccccc2)C1 ZINC000903431036 621744457 /nfs/dbraw/zinc/74/44/57/621744457.db2.gz DSZMCQAFIRHHEU-RCCFBDPRSA-N 2 1 272.436 3.211 20 0 CGADMP COCCCC[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903433248 621745507 /nfs/dbraw/zinc/74/55/07/621745507.db2.gz WWTJKLBJNNPHBO-MSOLQXFVSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439018 621748054 /nfs/dbraw/zinc/74/80/54/621748054.db2.gz BLIQPITTWGSIJW-LOUJCGABSA-N 2 1 276.399 3.064 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC000903463976 621752968 /nfs/dbraw/zinc/75/29/68/621752968.db2.gz VJQHFWBLJIPDHQ-CMPLNLGQSA-N 2 1 299.245 3.479 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498827 621766159 /nfs/dbraw/zinc/76/61/59/621766159.db2.gz FOJAPFKDUFKADH-IIAWOOMASA-N 2 1 299.418 3.319 20 0 CGADMP COCC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000903722318 621796141 /nfs/dbraw/zinc/79/61/41/621796141.db2.gz KORCYNCOOZBYTE-SJORKVTESA-N 2 1 290.451 3.086 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903723566 621797244 /nfs/dbraw/zinc/79/72/44/621797244.db2.gz IOOIAMFBECXLKJ-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903723566 621797246 /nfs/dbraw/zinc/79/72/46/621797246.db2.gz IOOIAMFBECXLKJ-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP Cc1ccc([C@H](C)[N@H+](C)C[C@H]([NH3+])CC(F)F)c(C)c1 ZINC000903880558 621825358 /nfs/dbraw/zinc/82/53/58/621825358.db2.gz UEGIOCPIBOMYJI-QWHCGFSZSA-N 2 1 270.367 3.279 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]([NH3+])CC(F)F)c(C)c1 ZINC000903880558 621825359 /nfs/dbraw/zinc/82/53/59/621825359.db2.gz UEGIOCPIBOMYJI-QWHCGFSZSA-N 2 1 270.367 3.279 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2cc3cc(OC)ccc3o2)CC1 ZINC000903946399 621839860 /nfs/dbraw/zinc/83/98/60/621839860.db2.gz QPQOIDMGBIUQFX-UHFFFAOYSA-N 2 1 288.391 3.145 20 0 CGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313822 621904082 /nfs/dbraw/zinc/90/40/82/621904082.db2.gz LAQFKCOEJHKZTP-KDYLLFBJSA-N 2 1 268.404 3.051 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000904324205 621906522 /nfs/dbraw/zinc/90/65/22/621906522.db2.gz FHWHDHDEHLVEBO-GASCZTMLSA-N 2 1 250.430 3.160 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC000904346601 621910250 /nfs/dbraw/zinc/91/02/50/621910250.db2.gz VZUOPHVQXHVXBY-GHJWDPDVSA-N 2 1 280.362 3.229 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC12CCCCC2 ZINC000904346561 621910371 /nfs/dbraw/zinc/91/03/71/621910371.db2.gz UASOCCNENJWMRJ-KFWWJZLASA-N 2 1 250.430 3.016 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)C1 ZINC000904345679 621910568 /nfs/dbraw/zinc/91/05/68/621910568.db2.gz INQWJFWKDHGPTO-QTUASDBPSA-N 2 1 284.447 3.382 20 0 CGADMP CC(C)(C)CC[C@H](N)C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000904384650 621916704 /nfs/dbraw/zinc/91/67/04/621916704.db2.gz LAFLYZZDSNPABW-JKSUJKDBSA-N 2 1 295.515 3.042 20 0 CGADMP CC(C)(C)CC[C@@H](N)C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000904384649 621916729 /nfs/dbraw/zinc/91/67/29/621916729.db2.gz LAFLYZZDSNPABW-HZPDHXFCSA-N 2 1 295.515 3.042 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000904411710 621918762 /nfs/dbraw/zinc/91/87/62/621918762.db2.gz WSAPRDYZTVNMQN-CYBMUJFWSA-N 2 1 288.366 3.256 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1C[NH3+] ZINC000904412369 621919304 /nfs/dbraw/zinc/91/93/04/621919304.db2.gz UKYCWDOMDGWWNJ-MAUKXSAKSA-N 2 1 295.430 3.165 20 0 CGADMP Clc1cccc2c1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000904469170 621925023 /nfs/dbraw/zinc/92/50/23/621925023.db2.gz JCGXJVRIUSOKFX-QXMXGUDHSA-N 2 1 276.811 3.186 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862365 623271408 /nfs/dbraw/zinc/27/14/08/623271408.db2.gz CXOKJNNRDAHMDU-HNNXBMFYSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862365 623271413 /nfs/dbraw/zinc/27/14/13/623271413.db2.gz CXOKJNNRDAHMDU-HNNXBMFYSA-N 2 1 266.816 3.162 20 0 CGADMP CCCC[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000916835272 624216701 /nfs/dbraw/zinc/21/67/01/624216701.db2.gz XFFVPZVLCMCMRW-UHFFFAOYSA-N 2 1 260.425 3.349 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1Br ZINC000070148500 624960248 /nfs/dbraw/zinc/96/02/48/624960248.db2.gz XHVFULWNHBLYJD-ZDUSSCGKSA-N 2 1 297.240 3.152 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccccc1Br ZINC000070148500 624960260 /nfs/dbraw/zinc/96/02/60/624960260.db2.gz XHVFULWNHBLYJD-ZDUSSCGKSA-N 2 1 297.240 3.152 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccccc1Br ZINC000070148499 624961027 /nfs/dbraw/zinc/96/10/27/624961027.db2.gz XHVFULWNHBLYJD-CYBMUJFWSA-N 2 1 297.240 3.152 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccccc1Br ZINC000070148499 624961056 /nfs/dbraw/zinc/96/10/56/624961056.db2.gz XHVFULWNHBLYJD-CYBMUJFWSA-N 2 1 297.240 3.152 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921737065 625857546 /nfs/dbraw/zinc/85/75/46/625857546.db2.gz RQVAVEGXKGXKAB-BRSBDYLESA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921737065 625857550 /nfs/dbraw/zinc/85/75/50/625857550.db2.gz RQVAVEGXKGXKAB-BRSBDYLESA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccc2ccccc2c1CC[NH2+]C1CC[NH+](C)CC1 ZINC000922683553 626029715 /nfs/dbraw/zinc/02/97/15/626029715.db2.gz LGEFUBUQPBTHHJ-UHFFFAOYSA-N 2 1 298.430 3.075 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922845273 626058086 /nfs/dbraw/zinc/05/80/86/626058086.db2.gz LINYBBLRSZMECI-AWEZNQCLSA-N 2 1 291.464 3.056 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289609 626143314 /nfs/dbraw/zinc/14/33/14/626143314.db2.gz RAPFLZTYFWKDIG-DZGCQCFKSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289612 626143499 /nfs/dbraw/zinc/14/34/99/626143499.db2.gz RAPFLZTYFWKDIG-HIFRSBDPSA-N 2 1 250.430 3.016 20 0 CGADMP CCSCC[C@H](C)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923314016 626144855 /nfs/dbraw/zinc/14/48/55/626144855.db2.gz ACUJOQUCMXBFJY-HNSVSWJLSA-N 2 1 284.513 3.371 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)c(F)c1 ZINC000923305353 626144912 /nfs/dbraw/zinc/14/49/12/626144912.db2.gz XZFYLYLGHMFLCB-LQDVMPOASA-N 2 1 294.389 3.317 20 0 CGADMP c1ccc(SC[C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923317390 626145045 /nfs/dbraw/zinc/14/50/45/626145045.db2.gz QZQYKFGXIYRVHH-OAHLLOKOSA-N 2 1 290.476 3.243 20 0 CGADMP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)sc1C(C)(C)C ZINC000923490085 626157936 /nfs/dbraw/zinc/15/79/36/626157936.db2.gz AWBKPSYUOLIEJX-YPMHNXCESA-N 2 1 295.496 3.166 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1C[NH3+] ZINC000923493547 626158520 /nfs/dbraw/zinc/15/85/20/626158520.db2.gz IJZNQOKBCUNDOZ-FZMZJTMJSA-N 2 1 268.351 3.041 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)CC[C@@H]1C[NH3+] ZINC000923501364 626159362 /nfs/dbraw/zinc/15/93/62/626159362.db2.gz QWDPIVYPHYFVKC-TZMCWYRMSA-N 2 1 293.480 3.217 20 0 CGADMP COc1c(C)cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000839179953 626326181 /nfs/dbraw/zinc/32/61/81/626326181.db2.gz BDTYDKPOBKWQEB-INIZCTEOSA-N 2 1 290.451 3.134 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000765036556 627237931 /nfs/dbraw/zinc/23/79/31/627237931.db2.gz HTSGBXUHQQYGCJ-KCQAQPDRSA-N 2 1 291.464 3.045 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000765036556 627237934 /nfs/dbraw/zinc/23/79/34/627237934.db2.gz HTSGBXUHQQYGCJ-KCQAQPDRSA-N 2 1 291.464 3.045 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)COC2 ZINC000769484575 627559456 /nfs/dbraw/zinc/55/94/56/627559456.db2.gz WKCBDUIKAZMUPW-SFHVURJKSA-N 2 1 288.435 3.023 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)COC2 ZINC000769484575 627559458 /nfs/dbraw/zinc/55/94/58/627559458.db2.gz WKCBDUIKAZMUPW-SFHVURJKSA-N 2 1 288.435 3.023 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)COC2 ZINC000769484575 627559460 /nfs/dbraw/zinc/55/94/60/627559460.db2.gz WKCBDUIKAZMUPW-SFHVURJKSA-N 2 1 288.435 3.023 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)COC2 ZINC000769484575 627559462 /nfs/dbraw/zinc/55/94/62/627559462.db2.gz WKCBDUIKAZMUPW-SFHVURJKSA-N 2 1 288.435 3.023 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000770510687 627623890 /nfs/dbraw/zinc/62/38/90/627623890.db2.gz PZOQRMMDULFUGZ-GFCCVEGCSA-N 2 1 252.427 3.083 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C1(C)C ZINC000776161668 628172317 /nfs/dbraw/zinc/17/23/17/628172317.db2.gz YPHNDGHYLFODBK-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C1(C)C ZINC000776161669 628172592 /nfs/dbraw/zinc/17/25/92/628172592.db2.gz YPHNDGHYLFODBK-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620504 628289512 /nfs/dbraw/zinc/28/95/12/628289512.db2.gz QZAJLXQIKDLSBN-RHSMWYFYSA-N 2 1 278.415 3.318 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620504 628289515 /nfs/dbraw/zinc/28/95/15/628289515.db2.gz QZAJLXQIKDLSBN-RHSMWYFYSA-N 2 1 278.415 3.318 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620504 628289517 /nfs/dbraw/zinc/28/95/17/628289517.db2.gz QZAJLXQIKDLSBN-RHSMWYFYSA-N 2 1 278.415 3.318 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000782181738 628620597 /nfs/dbraw/zinc/62/05/97/628620597.db2.gz KPAMAAQJDDRHSI-DOTOQJQBSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783222535 628689730 /nfs/dbraw/zinc/68/97/30/628689730.db2.gz MKFMHARMMSUTFD-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783222535 628689733 /nfs/dbraw/zinc/68/97/33/628689733.db2.gz MKFMHARMMSUTFD-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)c1cccc(O)c1 ZINC000788480739 629058103 /nfs/dbraw/zinc/05/81/03/629058103.db2.gz DDTHNGGVAGYTPB-CQSZACIVSA-N 2 1 276.424 3.117 20 0 CGADMP C[NH+]1CCC(C[N@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000788479744 629058374 /nfs/dbraw/zinc/05/83/74/629058374.db2.gz APFLDTJPYYYKES-UHFFFAOYSA-N 2 1 290.426 3.380 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[NH+](C)C ZINC000862268003 629334677 /nfs/dbraw/zinc/33/46/77/629334677.db2.gz RJFUHUCEFDHQJX-FZMZJTMJSA-N 2 1 276.415 3.376 20 0 CGADMP c1ccc([C@@H]2C[C@H]3C[N@H+](CC[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000863556876 629604395 /nfs/dbraw/zinc/60/43/95/629604395.db2.gz IWKSAEWFWKHMDW-XGXHKWSGSA-N 2 1 284.447 3.112 20 0 CGADMP COc1ccc([C@H]2CC[N@@H+](CCCCCC[NH3+])C2)cc1F ZINC000863571418 629606944 /nfs/dbraw/zinc/60/69/44/629606944.db2.gz YBVGXKNVGQYYIB-HNNXBMFYSA-N 2 1 294.414 3.143 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000863652202 629632395 /nfs/dbraw/zinc/63/23/95/629632395.db2.gz PLWZQERKRNZVQY-PLOWYNNNSA-N 2 1 284.447 3.110 20 0 CGADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000797602918 629969193 /nfs/dbraw/zinc/96/91/93/629969193.db2.gz YMHAMHIGSUSFJS-CQSZACIVSA-N 2 1 295.858 3.398 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002359 630013808 /nfs/dbraw/zinc/01/38/08/630013808.db2.gz FOEALSUJTIPETN-KBMXLJTQSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3C(F)(F)F)CC[C@H]21 ZINC000865617618 630224706 /nfs/dbraw/zinc/22/47/06/630224706.db2.gz PSIGLFPUVYWMIG-DGCLKSJQSA-N 2 1 299.340 3.021 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@]12C[C@@H]1CCCC2 ZINC000865703783 630397478 /nfs/dbraw/zinc/39/74/78/630397478.db2.gz KNMKUAPJRPOPMQ-LJIGWXMPSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCC1 ZINC000806131171 630546269 /nfs/dbraw/zinc/54/62/69/630546269.db2.gz HTSLBXGYHBZVLT-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP Cc1nccn1CCC[N@@H+](C)CCCSC(C)(C)C ZINC000878288623 635445127 /nfs/dbraw/zinc/44/51/27/635445127.db2.gz ZUQKXLWVHLPZHG-UHFFFAOYSA-N 2 1 283.485 3.435 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCSC(C)(C)C ZINC000878288623 635445130 /nfs/dbraw/zinc/44/51/30/635445130.db2.gz ZUQKXLWVHLPZHG-UHFFFAOYSA-N 2 1 283.485 3.435 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCSC(C)(C)C ZINC000878288623 635445134 /nfs/dbraw/zinc/44/51/34/635445134.db2.gz ZUQKXLWVHLPZHG-UHFFFAOYSA-N 2 1 283.485 3.435 20 0 CGADMP c1csc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000843386386 635657313 /nfs/dbraw/zinc/65/73/13/635657313.db2.gz GURAEDHIWHENHW-HUUCEWRRSA-N 2 1 278.465 3.002 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000816648242 632036108 /nfs/dbraw/zinc/03/61/08/632036108.db2.gz HMBWCJAITRCQGC-CVEARBPZSA-N 2 1 288.435 3.001 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])CCC2 ZINC000817921772 632235091 /nfs/dbraw/zinc/23/50/91/632235091.db2.gz IGOZJQKCFZEEJU-MBNYWOFBSA-N 2 1 279.453 3.079 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)CCO2 ZINC000817957783 632252384 /nfs/dbraw/zinc/25/23/84/632252384.db2.gz DWJIUOHNWOSQDT-CXAGYDPISA-N 2 1 288.435 3.180 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)nc1 ZINC000817958720 632253097 /nfs/dbraw/zinc/25/30/97/632253097.db2.gz MAQUJJCEUDVAFL-FZMZJTMJSA-N 2 1 281.831 3.293 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1Cl ZINC000817965667 632260304 /nfs/dbraw/zinc/26/03/04/632260304.db2.gz SXDGRLPXHPSEKM-YGRLFVJLSA-N 2 1 282.815 3.045 20 0 CGADMP Cc1nc(NC2CCC(C)([NH+](C)C)CC2)c(C)c(C)[nH+]1 ZINC000866148674 633012541 /nfs/dbraw/zinc/01/25/41/633012541.db2.gz NVXQBYHQCLZGNF-UHFFFAOYSA-N 2 1 276.428 3.077 20 0 CGADMP CC(C)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccn1 ZINC000866370137 633107296 /nfs/dbraw/zinc/10/72/96/633107296.db2.gz RNOHNRMYXNMXAR-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561526 633192511 /nfs/dbraw/zinc/19/25/11/633192511.db2.gz GPUCYATUQMWMBW-SOLBZPMBSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561526 633192517 /nfs/dbraw/zinc/19/25/17/633192517.db2.gz GPUCYATUQMWMBW-SOLBZPMBSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)CC(C)(C)C ZINC000866668706 633229893 /nfs/dbraw/zinc/22/98/93/633229893.db2.gz IQFOHYAZIMLFGE-NXOAAHMSSA-N 2 1 296.499 3.420 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000866667681 633230138 /nfs/dbraw/zinc/23/01/38/633230138.db2.gz VAFDYYZUOKEINF-LUKYLMHMSA-N 2 1 296.499 3.277 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697498 633232678 /nfs/dbraw/zinc/23/26/78/633232678.db2.gz RBVOPCSHPQQMRP-KRWDZBQOSA-N 2 1 282.472 3.319 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000866707110 633234487 /nfs/dbraw/zinc/23/44/87/633234487.db2.gz MCAGHBVVMXTFFB-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000866707110 633234491 /nfs/dbraw/zinc/23/44/91/633234491.db2.gz MCAGHBVVMXTFFB-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000866706595 633234500 /nfs/dbraw/zinc/23/45/00/633234500.db2.gz IVKYHCWPRRVNOZ-GOSISDBHSA-N 2 1 296.499 3.280 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866715723 633235904 /nfs/dbraw/zinc/23/59/04/633235904.db2.gz FJFQIGWHBNMJBG-FUHWJXTLSA-N 2 1 288.435 3.048 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc2cc[nH]c2c1 ZINC000866717578 633236019 /nfs/dbraw/zinc/23/60/19/633236019.db2.gz JGEYEDKZJNBRCE-UHFFFAOYSA-N 2 1 259.397 3.119 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC(C(F)F)C1 ZINC000824559347 633258849 /nfs/dbraw/zinc/25/88/49/633258849.db2.gz PYIBDQIIMCGTKT-RUXDESIVSA-N 2 1 274.399 3.130 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCCOC1 ZINC000872019266 633939716 /nfs/dbraw/zinc/93/97/16/633939716.db2.gz UMFFGFLQFDINOA-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000872020751 633941380 /nfs/dbraw/zinc/94/13/80/633941380.db2.gz JYVGJRKRJCSMIZ-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872040571 633961343 /nfs/dbraw/zinc/96/13/43/633961343.db2.gz ZGHJEVSPWQGFCT-GFCCVEGCSA-N 2 1 291.370 3.167 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1C(F)(F)F ZINC000872152209 634066703 /nfs/dbraw/zinc/06/67/03/634066703.db2.gz PEXWKSMWGNSJBH-AAEUAGOBSA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1C(F)(F)F ZINC000872152209 634066709 /nfs/dbraw/zinc/06/67/09/634066709.db2.gz PEXWKSMWGNSJBH-AAEUAGOBSA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCC2)C[C@@H]1C(F)(F)F ZINC000872152524 634066838 /nfs/dbraw/zinc/06/68/38/634066838.db2.gz SPILGFUHXYCKFJ-STQMWFEESA-N 2 1 278.362 3.026 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)[C@@H]2CCC[C@@H]21 ZINC000834885993 634266618 /nfs/dbraw/zinc/26/66/18/634266618.db2.gz ZEJSAMPJCAMGDC-CYDGBPFRSA-N 2 1 291.266 3.033 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873238415 634296569 /nfs/dbraw/zinc/29/65/69/634296569.db2.gz ZSQTZIYBKIIZCA-MNOVXSKESA-N 2 1 266.351 3.085 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873238062 634296946 /nfs/dbraw/zinc/29/69/46/634296946.db2.gz WHNKCSNWWGHZEY-NVXWUHKLSA-N 2 1 289.467 3.161 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000840807936 635055501 /nfs/dbraw/zinc/05/55/01/635055501.db2.gz IORSFTREPMCHAA-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000841105458 635121726 /nfs/dbraw/zinc/12/17/26/635121726.db2.gz OKOBMSWOLUCEJW-HOCLYGCPSA-N 2 1 250.430 3.031 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742642 635180575 /nfs/dbraw/zinc/18/05/75/635180575.db2.gz FVIFYESRNXFCQW-ZJCZKGSNSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877742642 635180581 /nfs/dbraw/zinc/18/05/81/635180581.db2.gz FVIFYESRNXFCQW-ZJCZKGSNSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742642 635180590 /nfs/dbraw/zinc/18/05/90/635180590.db2.gz FVIFYESRNXFCQW-ZJCZKGSNSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742642 635180597 /nfs/dbraw/zinc/18/05/97/635180597.db2.gz FVIFYESRNXFCQW-ZJCZKGSNSA-N 2 1 270.420 3.116 20 0 CGADMP CC(C)C[N@@H+](CCC1CCOCC1)CC1CC[NH+](C)CC1 ZINC000877767147 635193484 /nfs/dbraw/zinc/19/34/84/635193484.db2.gz ABFWZXDGSXGUQK-UHFFFAOYSA-N 2 1 296.499 3.103 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1F ZINC000842473309 635377617 /nfs/dbraw/zinc/37/76/17/635377617.db2.gz UVJCBOUOYODLHC-DYVFJYSZSA-N 2 1 294.389 3.491 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000843056943 635553079 /nfs/dbraw/zinc/55/30/79/635553079.db2.gz CVXJYNXBZTZTFU-PWSUYJOCSA-N 2 1 286.391 3.170 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@@H]1CCCC1(F)F)C2 ZINC000878663501 635595446 /nfs/dbraw/zinc/59/54/46/635595446.db2.gz ZYXQUDOTMVYWKQ-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000878663501 635595448 /nfs/dbraw/zinc/59/54/48/635595448.db2.gz ZYXQUDOTMVYWKQ-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000878663501 635595450 /nfs/dbraw/zinc/59/54/50/635595450.db2.gz ZYXQUDOTMVYWKQ-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879750540 635853433 /nfs/dbraw/zinc/85/34/33/635853433.db2.gz WOODBODFGDRKGH-KRWDZBQOSA-N 2 1 284.407 3.122 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879750540 635853437 /nfs/dbraw/zinc/85/34/37/635853437.db2.gz WOODBODFGDRKGH-KRWDZBQOSA-N 2 1 284.407 3.122 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Cl)nc1 ZINC000844924332 635986058 /nfs/dbraw/zinc/98/60/58/635986058.db2.gz OPEWDRLQCLHGFA-SNVBAGLBSA-N 2 1 293.773 3.184 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCCCCC[NH3+])C1 ZINC000846219279 636162189 /nfs/dbraw/zinc/16/21/89/636162189.db2.gz MYFMJEGTMXXODK-UONOGXRCSA-N 2 1 258.475 3.112 20 0 CGADMP CC(C)c1c[nH]c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000882891880 636448990 /nfs/dbraw/zinc/44/89/90/636448990.db2.gz HHQBKXYPMITWSK-HNNXBMFYSA-N 2 1 292.471 3.135 20 0 CGADMP c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1NC1CCCC1 ZINC000883346098 636690075 /nfs/dbraw/zinc/69/00/75/636690075.db2.gz RRQGSADIDCCYMR-SFHVURJKSA-N 2 1 285.435 3.326 20 0 CGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000849062092 636736252 /nfs/dbraw/zinc/73/62/52/636736252.db2.gz FPTAGNDUCTXUHE-JKSUJKDBSA-N 2 1 296.503 3.190 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000883418057 636749091 /nfs/dbraw/zinc/74/90/91/636749091.db2.gz VSSLDULRSLQXHJ-UHFFFAOYSA-N 2 1 299.418 3.352 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)[C@@H]1CC[NH3+] ZINC000883434852 636755175 /nfs/dbraw/zinc/75/51/75/636755175.db2.gz CKNUIOBHYSDEQI-MGPQQGTHSA-N 2 1 274.399 3.261 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000883439394 636757225 /nfs/dbraw/zinc/75/72/25/636757225.db2.gz QAGQJNHSMBCETG-WMLDXEAASA-N 2 1 282.472 3.031 20 0 CGADMP Cc1cscc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132182729 636789716 /nfs/dbraw/zinc/78/97/16/636789716.db2.gz DXXQUHYNYXUZKV-HUUCEWRRSA-N 2 1 258.390 3.291 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000885922952 637313398 /nfs/dbraw/zinc/31/33/98/637313398.db2.gz MEJOLYYPDFEPGH-WCXIOVBPSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000885922952 637313417 /nfs/dbraw/zinc/31/34/17/637313417.db2.gz MEJOLYYPDFEPGH-WCXIOVBPSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC(F)(F)F)C[C@H]1C ZINC000886032678 637376130 /nfs/dbraw/zinc/37/61/30/637376130.db2.gz LLMWPZMHOIMHFP-MNOVXSKESA-N 2 1 284.391 3.044 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC(F)(F)F)C[C@H]1C ZINC000886032678 637376133 /nfs/dbraw/zinc/37/61/33/637376133.db2.gz LLMWPZMHOIMHFP-MNOVXSKESA-N 2 1 284.391 3.044 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC(F)(F)F)C[C@H]1C ZINC000886032678 637376138 /nfs/dbraw/zinc/37/61/38/637376138.db2.gz LLMWPZMHOIMHFP-MNOVXSKESA-N 2 1 284.391 3.044 20 0 CGADMP CC(C)=CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000852009116 637570993 /nfs/dbraw/zinc/57/09/93/637570993.db2.gz YVXZAEZVXXBEIQ-UHFFFAOYSA-N 2 1 250.430 3.151 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)CCC(C)C)CC2)[nH+]c1C ZINC000886660801 637638450 /nfs/dbraw/zinc/63/84/50/637638450.db2.gz GGOSPUZPIHADOZ-MRXNPFEDSA-N 2 1 293.455 3.003 20 0 CGADMP c1cc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c2c(c1)C[NH2+]CC2 ZINC000852744744 637705357 /nfs/dbraw/zinc/70/53/57/637705357.db2.gz IJGUVVDMNKMEGY-JOUKPKRSSA-N 2 1 296.458 3.343 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc2ncccc12 ZINC000852754878 637706748 /nfs/dbraw/zinc/70/67/48/637706748.db2.gz OZCHQESPQXJURH-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)n1 ZINC000852752811 637706969 /nfs/dbraw/zinc/70/69/69/637706969.db2.gz MMDNUMIRTSYDRL-CYBMUJFWSA-N 2 1 293.842 3.007 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000886874471 637715572 /nfs/dbraw/zinc/71/55/72/637715572.db2.gz OHJCEDHDKDJFFA-LJQANCHMSA-N 2 1 295.430 3.200 20 0 CGADMP CCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(C)o1 ZINC000886882373 637716696 /nfs/dbraw/zinc/71/66/96/637716696.db2.gz PBDFKYMXIURCLG-CABCVRRESA-N 2 1 264.413 3.361 20 0 CGADMP C[NH+](CCCF)Cc1ccccc1C[N@@H+](C)CCCF ZINC000887141036 637759021 /nfs/dbraw/zinc/75/90/21/637759021.db2.gz CPHYZLIYBBBMSV-UHFFFAOYSA-N 2 1 284.394 3.269 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc2c(c1)CCO2 ZINC000221917492 637765136 /nfs/dbraw/zinc/76/51/36/637765136.db2.gz JONHYXSKEGXLHC-QGZVFWFLSA-N 2 1 290.451 3.393 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000300411283 637837117 /nfs/dbraw/zinc/83/71/17/637837117.db2.gz MITPPLNPNHKIGT-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000300411283 637837124 /nfs/dbraw/zinc/83/71/24/637837124.db2.gz MITPPLNPNHKIGT-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000224108872 637905757 /nfs/dbraw/zinc/90/57/57/637905757.db2.gz BVFGGNHATYMYNR-JQFCIGGWSA-N 2 1 288.435 3.145 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000224108872 637905763 /nfs/dbraw/zinc/90/57/63/637905763.db2.gz BVFGGNHATYMYNR-JQFCIGGWSA-N 2 1 288.435 3.145 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000924526958 638349588 /nfs/dbraw/zinc/34/95/88/638349588.db2.gz IRJRZCOMMMVPNQ-OAHLLOKOSA-N 2 1 292.471 3.066 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000924603955 638372802 /nfs/dbraw/zinc/37/28/02/638372802.db2.gz KQACABOPADEXHJ-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750986 638400115 /nfs/dbraw/zinc/40/01/15/638400115.db2.gz HYDLFBCVQPHALJ-IXDOHACOSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750986 638400117 /nfs/dbraw/zinc/40/01/17/638400117.db2.gz HYDLFBCVQPHALJ-IXDOHACOSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)CO)c1 ZINC000924827298 638409924 /nfs/dbraw/zinc/40/99/24/638409924.db2.gz BOXDRNMQLFMYDR-HNNXBMFYSA-N 2 1 292.467 3.023 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000924918667 638424340 /nfs/dbraw/zinc/42/43/40/638424340.db2.gz XHANGNWCUFRVKU-XYJFISCASA-N 2 1 289.467 3.113 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000924918667 638424344 /nfs/dbraw/zinc/42/43/44/638424344.db2.gz XHANGNWCUFRVKU-XYJFISCASA-N 2 1 289.467 3.113 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000924954946 638430699 /nfs/dbraw/zinc/43/06/99/638430699.db2.gz LVKFZTPGVANEGN-XYJFISCASA-N 2 1 289.467 3.113 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2[C@H](C)CC[C@H]2C)C1 ZINC000924962034 638433035 /nfs/dbraw/zinc/43/30/35/638433035.db2.gz YEXRLESAOGMRGN-KFWWJZLASA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc2ccccc2[nH]1 ZINC000925143978 638460108 /nfs/dbraw/zinc/46/01/08/638460108.db2.gz RWRLQTMWXFUVFV-IPYPFGDCSA-N 2 1 271.408 3.301 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2ccccc2[nH]1 ZINC000925143978 638460115 /nfs/dbraw/zinc/46/01/15/638460115.db2.gz RWRLQTMWXFUVFV-IPYPFGDCSA-N 2 1 271.408 3.301 20 0 CGADMP Fc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925507643 638513909 /nfs/dbraw/zinc/51/39/09/638513909.db2.gz WQZCDIGCDQHXPM-DOTOQJQBSA-N 2 1 276.399 3.084 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925586304 638536674 /nfs/dbraw/zinc/53/66/74/638536674.db2.gz ZGGLUMWOHAASLD-KGYLQXTDSA-N 2 1 284.856 3.268 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000925666890 638563717 /nfs/dbraw/zinc/56/37/17/638563717.db2.gz PAHNIAXHCLLCPQ-IWSXDTNSSA-N 2 1 290.451 3.258 20 0 CGADMP Clc1cccc(CC2([NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925687663 638568762 /nfs/dbraw/zinc/56/87/62/638568762.db2.gz LRORZVFFWDBOBM-OAHLLOKOSA-N 2 1 290.838 3.289 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925704003 638571839 /nfs/dbraw/zinc/57/18/39/638571839.db2.gz FRTGTHQYURHRDR-PBHICJAKSA-N 2 1 262.441 3.363 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccccc1 ZINC000925719882 638579082 /nfs/dbraw/zinc/57/90/82/638579082.db2.gz VVBVNCRSJXJEGZ-CWRNSKLLSA-N 2 1 258.409 3.245 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000925756953 638599615 /nfs/dbraw/zinc/59/96/15/638599615.db2.gz CJULUVCVDVMEJG-HNNXBMFYSA-N 2 1 298.434 3.137 20 0 CGADMP C[C@H](CCCC[NH3+])[NH2+]CC(F)(F)c1cc(F)cc(F)c1 ZINC000925759601 638600949 /nfs/dbraw/zinc/60/09/49/638600949.db2.gz PQKZJZKGGZRORW-SNVBAGLBSA-N 2 1 292.320 3.164 20 0 CGADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925772015 638607068 /nfs/dbraw/zinc/60/70/68/638607068.db2.gz FZEMNUWKTPYQSB-XFMWHNAVSA-N 2 1 284.447 3.361 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000925784464 638613061 /nfs/dbraw/zinc/61/30/61/638613061.db2.gz RXNMDCTXIWHNFF-DOMZBBRYSA-N 2 1 298.352 3.038 20 0 CGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)cc1F ZINC000925839720 638628951 /nfs/dbraw/zinc/62/89/51/638628951.db2.gz CRUUFJUPVAMCCW-IUIKQTSFSA-N 2 1 280.362 3.148 20 0 CGADMP CC[NH+](CC)[C@H](C)CN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926329938 638763538 /nfs/dbraw/zinc/76/35/38/638763538.db2.gz IFVKXOOCLJTBIX-HZPDHXFCSA-N 2 1 291.483 3.129 20 0 CGADMP CC[N@@H+](CCC[NH2+]C1[C@H](C)COC[C@H]1C)C1CCCCC1 ZINC000926652455 638795054 /nfs/dbraw/zinc/79/50/54/638795054.db2.gz SYCHNBRMBCXGSM-HZPDHXFCSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926753490 638807124 /nfs/dbraw/zinc/80/71/24/638807124.db2.gz IEPDLFQPXWPNPH-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926753490 638807125 /nfs/dbraw/zinc/80/71/25/638807125.db2.gz IEPDLFQPXWPNPH-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnc3ccccc3c2)[C@H](C)C1 ZINC000926922151 638826056 /nfs/dbraw/zinc/82/60/56/638826056.db2.gz ZIQJYTVPGHLNER-QAPCUYQASA-N 2 1 297.446 3.097 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC3(CCC3)O2)[C@@H](C)C1 ZINC000929998715 638967593 /nfs/dbraw/zinc/96/75/93/638967593.db2.gz GAIZRSOALHZWBK-ULQDDVLXSA-N 2 1 294.483 3.140 20 0 CGADMP CC(F)(F)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930061983 638971849 /nfs/dbraw/zinc/97/18/49/638971849.db2.gz WPIAQVPHUWEOHG-DZGCQCFKSA-N 2 1 286.410 3.371 20 0 CGADMP Cc1cnccc1CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213273 639110616 /nfs/dbraw/zinc/11/06/16/639110616.db2.gz UTJNSGAYDQZPAW-UHFFFAOYSA-N 2 1 297.446 3.126 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CCC3=CCCCC3)C[C@]2(C)C1 ZINC000931313237 639132660 /nfs/dbraw/zinc/13/26/60/639132660.db2.gz ACBKZSYDWNULES-IRXDYDNUSA-N 2 1 262.441 3.151 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCSc3ccccc3)C[C@]2(C)C1 ZINC000931312153 639133133 /nfs/dbraw/zinc/13/31/33/639133133.db2.gz VNUAYQBCHRPESH-CALCHBBNSA-N 2 1 290.476 3.052 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CCSc3ccccc3)C[C@]2(C)C1 ZINC000931312153 639133137 /nfs/dbraw/zinc/13/31/37/639133137.db2.gz VNUAYQBCHRPESH-CALCHBBNSA-N 2 1 290.476 3.052 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CCSc3ccccc3)C[C@]2(C)C1 ZINC000931312153 639133143 /nfs/dbraw/zinc/13/31/43/639133143.db2.gz VNUAYQBCHRPESH-CALCHBBNSA-N 2 1 290.476 3.052 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCSc3ccccc3)C[C@]2(C)C1 ZINC000931312153 639133146 /nfs/dbraw/zinc/13/31/46/639133146.db2.gz VNUAYQBCHRPESH-CALCHBBNSA-N 2 1 290.476 3.052 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433605 639148141 /nfs/dbraw/zinc/14/81/41/639148141.db2.gz DPLWKHGQIAVUKJ-VHDGCEQUSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433605 639148143 /nfs/dbraw/zinc/14/81/43/639148143.db2.gz DPLWKHGQIAVUKJ-VHDGCEQUSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434646 639148841 /nfs/dbraw/zinc/14/88/41/639148841.db2.gz YJAMCLYGSXLFBE-FPMFFAJLSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434646 639148845 /nfs/dbraw/zinc/14/88/45/639148845.db2.gz YJAMCLYGSXLFBE-FPMFFAJLSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434646 639148847 /nfs/dbraw/zinc/14/88/47/639148847.db2.gz YJAMCLYGSXLFBE-FPMFFAJLSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434646 639148850 /nfs/dbraw/zinc/14/88/50/639148850.db2.gz YJAMCLYGSXLFBE-FPMFFAJLSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434646 639148852 /nfs/dbraw/zinc/14/88/52/639148852.db2.gz YJAMCLYGSXLFBE-FPMFFAJLSA-N 2 1 296.817 3.424 20 0 CGADMP Nc1cc[nH+]c2c1C[N@H+](CCCCc1ccccc1)CC2 ZINC000931518569 639163722 /nfs/dbraw/zinc/16/37/22/639163722.db2.gz MNSKVBAZOJXMSP-UHFFFAOYSA-N 2 1 281.403 3.045 20 0 CGADMP Nc1cc[nH+]c2c1C[N@@H+](CCCCc1ccccc1)CC2 ZINC000931518569 639163727 /nfs/dbraw/zinc/16/37/27/639163727.db2.gz MNSKVBAZOJXMSP-UHFFFAOYSA-N 2 1 281.403 3.045 20 0 CGADMP CSCC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000932588825 639362909 /nfs/dbraw/zinc/36/29/09/639362909.db2.gz ARSTZGKWLDDZGS-UHFFFAOYSA-N 2 1 281.469 3.047 20 0 CGADMP CCC[NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000040836345 639897496 /nfs/dbraw/zinc/89/74/96/639897496.db2.gz LEADWULWOMGPFG-UHFFFAOYSA-N 2 1 263.772 3.300 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)oc2C)[C@H](C)C1 ZINC000093639337 640777540 /nfs/dbraw/zinc/77/75/40/640777540.db2.gz ROGBRJCOPJXJAC-MLGOLLRUSA-N 2 1 264.413 3.059 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)oc2C)[C@H](C)C1 ZINC000093639337 640777546 /nfs/dbraw/zinc/77/75/46/640777546.db2.gz ROGBRJCOPJXJAC-MLGOLLRUSA-N 2 1 264.413 3.059 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)oc2C)[C@H](C)C1 ZINC000093639337 640777548 /nfs/dbraw/zinc/77/75/48/640777548.db2.gz ROGBRJCOPJXJAC-MLGOLLRUSA-N 2 1 264.413 3.059 20 0 CGADMP Cc1c[nH+]c(N2CCC3(CC2)CC[NH+](C)CC3)c(C)c1 ZINC001156575859 805716129 /nfs/dbraw/zinc/71/61/29/805716129.db2.gz FRRLCFQZIYHJIP-UHFFFAOYSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cn2cc(Nc3ccc4c(c3)CC[NH2+]C4)ccc2[nH+]1 ZINC001159265955 806070250 /nfs/dbraw/zinc/07/02/50/806070250.db2.gz JZDQWMGUVFTDLY-UHFFFAOYSA-N 2 1 278.359 3.032 20 0 CGADMP CC(C)=CCC/C(C)=C/C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406945 806215454 /nfs/dbraw/zinc/21/54/54/806215454.db2.gz YWAHEOILMJRTSN-KMPOOHAWSA-N 2 1 282.472 3.018 20 0 CGADMP Cc1c(C)n([C@@H]2CCC[N@H+](C)CC2)c2ccc(C[NH3+])cc12 ZINC001254499553 806421624 /nfs/dbraw/zinc/42/16/24/806421624.db2.gz IVBDWYIKOMCEBL-MRXNPFEDSA-N 2 1 285.435 3.374 20 0 CGADMP Cc1cc(F)cc(C)c1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254501768 806422560 /nfs/dbraw/zinc/42/25/60/806422560.db2.gz XKPUIDZITRQDAX-OAHLLOKOSA-N 2 1 264.388 3.016 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001254505861 806425609 /nfs/dbraw/zinc/42/56/09/806425609.db2.gz KEQMPWJZUHKIRH-GOEBONIOSA-N 2 1 293.842 3.260 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254508738 806427637 /nfs/dbraw/zinc/42/76/37/806427637.db2.gz LFUGWXKDMYAKKF-PCKAHOCUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1F ZINC001254506790 806427820 /nfs/dbraw/zinc/42/78/20/806427820.db2.gz AACOQZFGMVMEFG-CZUORRHYSA-N 2 1 282.378 3.490 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC001254506790 806427824 /nfs/dbraw/zinc/42/78/24/806427824.db2.gz AACOQZFGMVMEFG-CZUORRHYSA-N 2 1 282.378 3.490 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccn1 ZINC001254508620 806428611 /nfs/dbraw/zinc/42/86/11/806428611.db2.gz KLDKZYBCVSDROH-WBVHZDCISA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccn1 ZINC001254508620 806428618 /nfs/dbraw/zinc/42/86/18/806428618.db2.gz KLDKZYBCVSDROH-WBVHZDCISA-N 2 1 275.440 3.243 20 0 CGADMP C[N@H+]1CCC[C@H](n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001254508875 806429069 /nfs/dbraw/zinc/42/90/69/806429069.db2.gz TYCSONJDSNTSNT-GJZGRUSLSA-N 2 1 297.446 3.114 20 0 CGADMP COc1cccc(C2([NH2+][C@@H]3CCC[N@@H+](C)CC3)CCC2)c1 ZINC001254511347 806429588 /nfs/dbraw/zinc/42/95/88/806429588.db2.gz ZMSLLYPQBZSVJM-MRXNPFEDSA-N 2 1 288.435 3.148 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001254526715 806441511 /nfs/dbraw/zinc/44/15/11/806441511.db2.gz TYYWIEWOYBLHMU-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001254526715 806441514 /nfs/dbraw/zinc/44/15/14/806441514.db2.gz TYYWIEWOYBLHMU-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCSc3ccccc3C2)CC1 ZINC001254529017 806441731 /nfs/dbraw/zinc/44/17/31/806441731.db2.gz BQULTJRSMBPHCB-OAHLLOKOSA-N 2 1 276.449 3.079 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCSc3ccccc3C2)CC1 ZINC001254529017 806441738 /nfs/dbraw/zinc/44/17/38/806441738.db2.gz BQULTJRSMBPHCB-OAHLLOKOSA-N 2 1 276.449 3.079 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCSc3ccccc3C2)CC1 ZINC001254529017 806441744 /nfs/dbraw/zinc/44/17/44/806441744.db2.gz BQULTJRSMBPHCB-OAHLLOKOSA-N 2 1 276.449 3.079 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3CCC3)CC2)cc1 ZINC001255377205 806628120 /nfs/dbraw/zinc/62/81/20/806628120.db2.gz JYZONVQXKPVUCW-KRWDZBQOSA-N 2 1 258.409 3.183 20 0 CGADMP CCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377058 806628807 /nfs/dbraw/zinc/62/88/07/806628807.db2.gz DXFPOPYGRDKRKB-QGZVFWFLSA-N 2 1 260.425 3.431 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CCC[N@H+](C)C2)n1 ZINC001255493237 806652267 /nfs/dbraw/zinc/65/22/67/806652267.db2.gz WABFWQNVXMJRNL-WBVHZDCISA-N 2 1 298.434 3.001 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CCC[N@@H+](C)C2)n1 ZINC001255493237 806652271 /nfs/dbraw/zinc/65/22/71/806652271.db2.gz WABFWQNVXMJRNL-WBVHZDCISA-N 2 1 298.434 3.001 20 0 CGADMP CC1(C)C[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255534840 806667230 /nfs/dbraw/zinc/66/72/30/806667230.db2.gz XTUWIZPUAIKHOH-FVQBIDKESA-N 2 1 280.456 3.068 20 0 CGADMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3[nH+]c(N)[nH]c3c2)c1 ZINC001162908024 806682980 /nfs/dbraw/zinc/68/29/80/806682980.db2.gz JDZNNEVSTPMNKU-SNVBAGLBSA-N 2 1 291.358 3.109 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H](C)CC(F)(F)F ZINC001255638419 806687737 /nfs/dbraw/zinc/68/77/37/806687737.db2.gz AECLESIVRDMGDT-CHWSQXEVSA-N 2 1 288.357 3.424 20 0 CGADMP C[C@H](C[NH2+]Cc1ccccc1F)C[NH+]1CCCCC1 ZINC000037997503 798883012 /nfs/dbraw/zinc/88/30/12/798883012.db2.gz JYAABDIIYDNSOM-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP CCCOc1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000037996725 798883576 /nfs/dbraw/zinc/88/35/76/798883576.db2.gz IHRVMICHQWVINF-UHFFFAOYSA-N 2 1 278.440 3.153 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680770 806704135 /nfs/dbraw/zinc/70/41/35/806704135.db2.gz JNHFHPPGNSZMNF-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680770 806704136 /nfs/dbraw/zinc/70/41/36/806704136.db2.gz JNHFHPPGNSZMNF-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680770 806704138 /nfs/dbraw/zinc/70/41/38/806704138.db2.gz JNHFHPPGNSZMNF-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680770 806704139 /nfs/dbraw/zinc/70/41/39/806704139.db2.gz JNHFHPPGNSZMNF-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[N@H+](CC(C)C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255682012 806704614 /nfs/dbraw/zinc/70/46/14/806704614.db2.gz HSFDIMWHSREAGW-XYPWUTKMSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[N@@H+](CC(C)C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255682012 806704621 /nfs/dbraw/zinc/70/46/21/806704621.db2.gz HSFDIMWHSREAGW-XYPWUTKMSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[NH+](CC(C)C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255682012 806704624 /nfs/dbraw/zinc/70/46/24/806704624.db2.gz HSFDIMWHSREAGW-XYPWUTKMSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[NH+](CC(C)C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255682012 806704629 /nfs/dbraw/zinc/70/46/29/806704629.db2.gz HSFDIMWHSREAGW-XYPWUTKMSA-N 2 1 252.446 3.370 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC000094901355 798972108 /nfs/dbraw/zinc/97/21/08/798972108.db2.gz KRDOVFGVNOUFMQ-CRAIPNDOSA-N 2 1 274.452 3.444 20 0 CGADMP CC(C)c1nc(C[N@H+](C)CC2CC[NH+](C)CC2)cs1 ZINC000154775248 799061118 /nfs/dbraw/zinc/06/11/18/799061118.db2.gz XQHLQWYTGXZURR-UHFFFAOYSA-N 2 1 281.469 3.040 20 0 CGADMP CC(C)c1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)cs1 ZINC000154775248 799061124 /nfs/dbraw/zinc/06/11/24/799061124.db2.gz XQHLQWYTGXZURR-UHFFFAOYSA-N 2 1 281.469 3.040 20 0 CGADMP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000155163265 799061995 /nfs/dbraw/zinc/06/19/95/799061995.db2.gz MDXZQGNZIJTKBF-UHFFFAOYSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1[NH3+] ZINC000300320713 799203936 /nfs/dbraw/zinc/20/39/36/799203936.db2.gz JHXZQHPRCCYYCS-DNVCBOLYSA-N 2 1 280.415 3.098 20 0 CGADMP Cc1cccnc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309918720 799220021 /nfs/dbraw/zinc/22/00/21/799220021.db2.gz VDLKAVUIVKZNJT-GOSISDBHSA-N 2 1 295.430 3.002 20 0 CGADMP Cc1cccnc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309918720 799220028 /nfs/dbraw/zinc/22/00/28/799220028.db2.gz VDLKAVUIVKZNJT-GOSISDBHSA-N 2 1 295.430 3.002 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Cl ZINC000311005719 799223536 /nfs/dbraw/zinc/22/35/36/799223536.db2.gz JDMJNNJXSDOSGM-AWEZNQCLSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CSc1ccc(C)cc1 ZINC001255750406 806733655 /nfs/dbraw/zinc/73/36/55/806733655.db2.gz OSASWUVNHQDQON-CQSZACIVSA-N 2 1 289.448 3.270 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379655295 799351371 /nfs/dbraw/zinc/35/13/71/799351371.db2.gz LJKJKVCUPNJQKB-JFIYKMOQSA-N 2 1 290.451 3.054 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]12 ZINC000381944677 799390273 /nfs/dbraw/zinc/39/02/73/799390273.db2.gz ZUDWBJDQWCQSKA-FVQBIDKESA-N 2 1 262.441 3.159 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000386560445 799437812 /nfs/dbraw/zinc/43/78/12/799437812.db2.gz VIOMQLRPKSGZDW-NUEKZKHPSA-N 2 1 252.446 3.116 20 0 CGADMP Cc1cc2[nH]ccc2c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)[nH+]1 ZINC001163364551 806749399 /nfs/dbraw/zinc/74/93/99/806749399.db2.gz DKHAMXIXIQWQFQ-SWLSCSKDSA-N 2 1 286.423 3.402 20 0 CGADMP Cc1c[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)cc1C ZINC001163369889 806750503 /nfs/dbraw/zinc/75/05/03/806750503.db2.gz IGJALBHZMAWMBY-CABCVRRESA-N 2 1 261.413 3.229 20 0 CGADMP CCC[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC[NH2+]CC1 ZINC000399334560 799537953 /nfs/dbraw/zinc/53/79/53/799537953.db2.gz DJWYENQCKGJBAI-NSHDSACASA-N 2 1 279.255 3.034 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000423364767 799598705 /nfs/dbraw/zinc/59/87/05/799598705.db2.gz JWXYIHJTSDCIQU-YOEHRIQHSA-N 2 1 260.425 3.115 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001255850787 806767019 /nfs/dbraw/zinc/76/70/19/806767019.db2.gz IEOQAJKTZXJJEQ-AWEZNQCLSA-N 2 1 278.415 3.030 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Cl)n1 ZINC000688597168 799752694 /nfs/dbraw/zinc/75/26/94/799752694.db2.gz IVTYEHUCSDFMTN-IUODEOHRSA-N 2 1 295.858 3.383 20 0 CGADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CCC(F)(F)F ZINC000689159324 799761781 /nfs/dbraw/zinc/76/17/81/799761781.db2.gz ZAXFBWVFBDTKLA-YHWZYXNKSA-N 2 1 278.362 3.181 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000696997651 799842751 /nfs/dbraw/zinc/84/27/51/799842751.db2.gz HINYTORZRMFCEM-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000696997651 799842756 /nfs/dbraw/zinc/84/27/56/799842756.db2.gz HINYTORZRMFCEM-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC001255943523 806791609 /nfs/dbraw/zinc/79/16/09/806791609.db2.gz NVTSWNXKHWHAAW-KBPBESRZSA-N 2 1 264.413 3.163 20 0 CGADMP CSC1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000706884951 799968770 /nfs/dbraw/zinc/96/87/70/799968770.db2.gz AQDSZWZKTLQSQB-UHFFFAOYSA-N 2 1 290.476 3.135 20 0 CGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000707278174 799976915 /nfs/dbraw/zinc/97/69/15/799976915.db2.gz FKXKYSJBSJGHPA-HZPDHXFCSA-N 2 1 290.476 3.048 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccccn1)C(C)C ZINC001255947923 806793802 /nfs/dbraw/zinc/79/38/02/806793802.db2.gz YZEKUJJFWZJHOT-DOTOQJQBSA-N 2 1 277.456 3.489 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708815894 799995444 /nfs/dbraw/zinc/99/54/44/799995444.db2.gz RYNVYNJUQNEELS-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708849730 799996819 /nfs/dbraw/zinc/99/68/19/799996819.db2.gz LUYXEEMPUDIGMW-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000709816234 800020651 /nfs/dbraw/zinc/02/06/51/800020651.db2.gz IDOYREDUFUEPOM-YUTCNCBUSA-N 2 1 284.325 3.017 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc2onc(C)c2c1 ZINC001255953137 806797168 /nfs/dbraw/zinc/79/71/68/806797168.db2.gz XBYFXWIOSOGEPI-CYBMUJFWSA-N 2 1 289.423 3.346 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])c(C)s1 ZINC000710723840 800038903 /nfs/dbraw/zinc/03/89/03/800038903.db2.gz IPGCGDTWCBTJBA-UHFFFAOYSA-N 2 1 254.443 3.316 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCCc2ccncc21 ZINC001255955603 806798575 /nfs/dbraw/zinc/79/85/75/806798575.db2.gz VDEWRMPVLOZCFN-YOEHRIQHSA-N 2 1 275.440 3.169 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001255957610 806798789 /nfs/dbraw/zinc/79/87/89/806798789.db2.gz SQFNYIVTFMRDTR-STQMWFEESA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001255957610 806798791 /nfs/dbraw/zinc/79/87/91/806798791.db2.gz SQFNYIVTFMRDTR-STQMWFEESA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001255956064 806798831 /nfs/dbraw/zinc/79/88/31/806798831.db2.gz GPGVNYDXORWTOA-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001255957884 806799523 /nfs/dbraw/zinc/79/95/23/806799523.db2.gz WKVKTCACNCHQTR-JHJVBQTASA-N 2 1 298.368 3.187 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001255957884 806799526 /nfs/dbraw/zinc/79/95/26/806799526.db2.gz WKVKTCACNCHQTR-JHJVBQTASA-N 2 1 298.368 3.187 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001255960273 806800904 /nfs/dbraw/zinc/80/09/04/806800904.db2.gz GHYQXQUZCRAWRD-WBVHZDCISA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccncc1 ZINC001255960273 806800912 /nfs/dbraw/zinc/80/09/12/806800912.db2.gz GHYQXQUZCRAWRD-WBVHZDCISA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC001255957899 806800975 /nfs/dbraw/zinc/80/09/75/806800975.db2.gz WMCPMIDSTJANQN-GFCCVEGCSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC001255964399 806802208 /nfs/dbraw/zinc/80/22/08/806802208.db2.gz RWEMCXGGXXIFBX-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)[C@@H]1CCC[NH3+] ZINC000714329035 800118868 /nfs/dbraw/zinc/11/88/68/800118868.db2.gz FBXBSLBGAKKHFE-BZUAXINKSA-N 2 1 282.472 3.174 20 0 CGADMP Cc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256068746 806809135 /nfs/dbraw/zinc/80/91/35/806809135.db2.gz HYOIJNRONKQGTR-UHFFFAOYSA-N 2 1 270.420 3.201 20 0 CGADMP CC[C@@H](CC1CCCCC1)[NH2+]CCc1c[nH+]cn1C ZINC000720983568 800275535 /nfs/dbraw/zinc/27/55/35/800275535.db2.gz FQIRQPMDIUQWOV-HNNXBMFYSA-N 2 1 263.429 3.301 20 0 CGADMP CCC1CCC([N@H+]2Cc3ccccc3C[C@H]2CN)CC1 ZINC000721532697 800291997 /nfs/dbraw/zinc/29/19/97/800291997.db2.gz DATXBTXVTOFDAQ-UYJHFMRCSA-N 2 1 272.436 3.341 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723675260 800336164 /nfs/dbraw/zinc/33/61/64/800336164.db2.gz VZZUWCZDYJTNEV-VXGBXAGGSA-N 2 1 297.240 3.181 20 0 CGADMP C[NH+]1CCC([NH2+]CC(C)(C)Cc2ccc(F)cc2)CC1 ZINC001256199829 806847650 /nfs/dbraw/zinc/84/76/50/806847650.db2.gz XSMZQANRTANBBD-UHFFFAOYSA-N 2 1 278.415 3.078 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CC1 ZINC001256200581 806847849 /nfs/dbraw/zinc/84/78/49/806847849.db2.gz XBTDGZIBWPCENR-ISARSNTHSA-N 2 1 284.447 3.253 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2C2CCN(C)CC2)c1 ZINC001256202356 806848942 /nfs/dbraw/zinc/84/89/42/806848942.db2.gz WJJQSHKANWAXMD-KRWDZBQOSA-N 2 1 258.409 3.226 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C23CC(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256523478 806909084 /nfs/dbraw/zinc/90/90/84/806909084.db2.gz OWZFBLJCEHCSSI-FQXVJMBOSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C23CC(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256523478 806909087 /nfs/dbraw/zinc/90/90/87/806909087.db2.gz OWZFBLJCEHCSSI-FQXVJMBOSA-N 2 1 270.420 3.182 20 0 CGADMP CC[N@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536157 806911213 /nfs/dbraw/zinc/91/12/13/806911213.db2.gz FNEJLLFKGUHVIG-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[N@@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536157 806911215 /nfs/dbraw/zinc/91/12/15/806911215.db2.gz FNEJLLFKGUHVIG-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+](CCOC)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536157 806911217 /nfs/dbraw/zinc/91/12/17/806911217.db2.gz FNEJLLFKGUHVIG-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+](CCOC)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536157 806911226 /nfs/dbraw/zinc/91/12/26/806911226.db2.gz FNEJLLFKGUHVIG-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCC(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541403 806912533 /nfs/dbraw/zinc/91/25/33/806912533.db2.gz LLCVJAHPCAGXLJ-QAPCUYQASA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCC(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541403 806912536 /nfs/dbraw/zinc/91/25/36/806912536.db2.gz LLCVJAHPCAGXLJ-QAPCUYQASA-N 2 1 290.426 3.473 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC001256555387 806914988 /nfs/dbraw/zinc/91/49/88/806914988.db2.gz YDIYBAORNQTFIM-UHFFFAOYSA-N 2 1 281.831 3.088 20 0 CGADMP CCC[N@@H+](CC1CC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256568836 806918376 /nfs/dbraw/zinc/91/83/76/806918376.db2.gz HIFJEONVIMYIFH-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CC[N@H+](Cc1ccccn1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573866 806919005 /nfs/dbraw/zinc/91/90/05/806919005.db2.gz PEVFCJOUNXMHDN-UHFFFAOYSA-N 2 1 275.440 3.166 20 0 CGADMP CC[N@@H+](Cc1ccccn1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573866 806919009 /nfs/dbraw/zinc/91/90/09/806919009.db2.gz PEVFCJOUNXMHDN-UHFFFAOYSA-N 2 1 275.440 3.166 20 0 CGADMP C[C@@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC001256573762 806919983 /nfs/dbraw/zinc/91/99/83/806919983.db2.gz NNERJBVFUOXNEC-KGLIPLIRSA-N 2 1 252.446 3.370 20 0 CGADMP FC[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256611101 806925195 /nfs/dbraw/zinc/92/51/95/806925195.db2.gz NORVDXNDNRESOJ-QGZVFWFLSA-N 2 1 290.426 3.333 20 0 CGADMP FC[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256611101 806925202 /nfs/dbraw/zinc/92/52/02/806925202.db2.gz NORVDXNDNRESOJ-QGZVFWFLSA-N 2 1 290.426 3.333 20 0 CGADMP C[NH2+]Cc1ccc2c(ccn2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256623735 806928937 /nfs/dbraw/zinc/92/89/37/806928937.db2.gz RBCBPIBBNVVPEL-SJPCQFCGSA-N 2 1 283.419 3.158 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001116210239 802311096 /nfs/dbraw/zinc/31/10/96/802311096.db2.gz YXGUMRGIMBUZRZ-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001116210239 802311105 /nfs/dbraw/zinc/31/11/05/802311105.db2.gz YXGUMRGIMBUZRZ-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001116210239 802311115 /nfs/dbraw/zinc/31/11/15/802311115.db2.gz YXGUMRGIMBUZRZ-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001116210239 802311123 /nfs/dbraw/zinc/31/11/23/802311123.db2.gz YXGUMRGIMBUZRZ-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001116210239 802311132 /nfs/dbraw/zinc/31/11/32/802311132.db2.gz YXGUMRGIMBUZRZ-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001118243348 802541171 /nfs/dbraw/zinc/54/11/71/802541171.db2.gz QWJKURTYCHZDLF-UHFFFAOYSA-N 2 1 288.435 3.051 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC001119623576 802685931 /nfs/dbraw/zinc/68/59/31/802685931.db2.gz IZPASPIKNQLSMS-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC001119623576 802685937 /nfs/dbraw/zinc/68/59/37/802685937.db2.gz IZPASPIKNQLSMS-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCCC(F)(F)F)C1 ZINC001120020613 802726148 /nfs/dbraw/zinc/72/61/48/802726148.db2.gz OBHUZENVXWPKLA-CYBMUJFWSA-N 2 1 280.378 3.431 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2)C1 ZINC001120780503 802776655 /nfs/dbraw/zinc/77/66/55/802776655.db2.gz ZFKQQKAXIAUTIG-INIZCTEOSA-N 2 1 295.430 3.348 20 0 CGADMP C1[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C12CCCC2 ZINC001256908872 807007444 /nfs/dbraw/zinc/00/74/44/807007444.db2.gz QVORQJZZBQILMU-HOCLYGCPSA-N 2 1 262.441 3.316 20 0 CGADMP C1[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C12CCCC2 ZINC001256908872 807007450 /nfs/dbraw/zinc/00/74/50/807007450.db2.gz QVORQJZZBQILMU-HOCLYGCPSA-N 2 1 262.441 3.316 20 0 CGADMP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001120833515 802785433 /nfs/dbraw/zinc/78/54/33/802785433.db2.gz PALJZMXIZGDQJX-LSDHHAIUSA-N 2 1 273.424 3.455 20 0 CGADMP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001120833515 802785439 /nfs/dbraw/zinc/78/54/39/802785439.db2.gz PALJZMXIZGDQJX-LSDHHAIUSA-N 2 1 273.424 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C[C@@H]1C[NH3+] ZINC001205306677 812944793 /nfs/dbraw/zinc/94/47/93/812944793.db2.gz YVIIIZPDLQEWME-AAEUAGOBSA-N 2 1 291.826 3.238 20 0 CGADMP C[NH+](C)CC1(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCCC1 ZINC001208184542 813736169 /nfs/dbraw/zinc/73/61/69/813736169.db2.gz MZOBUEWWKMUWES-OKILXGFUSA-N 2 1 286.410 3.086 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136975426 803666042 /nfs/dbraw/zinc/66/60/42/803666042.db2.gz GBMOWWXTGYGBEP-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136975426 803666043 /nfs/dbraw/zinc/66/60/43/803666043.db2.gz GBMOWWXTGYGBEP-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cnc4ccccc4c3)C[C@H]2C1 ZINC001137284261 803708104 /nfs/dbraw/zinc/70/81/04/803708104.db2.gz KIAXJLAYMPOWOO-QZTJIDSGSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1Cl ZINC001138029368 803831400 /nfs/dbraw/zinc/83/14/00/803831400.db2.gz RMKQPAJAUVQOSR-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP CC[N@@H+](Cc1ccc(O)c2ccccc12)C1CCN(C)CC1 ZINC001138059607 803842217 /nfs/dbraw/zinc/84/22/17/803842217.db2.gz IROAQBWGXRISDZ-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC001138543367 803963739 /nfs/dbraw/zinc/96/37/39/803963739.db2.gz MRRYDTUEQIAERL-UHFFFAOYSA-N 2 1 273.355 3.115 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC001138772357 804034737 /nfs/dbraw/zinc/03/47/37/804034737.db2.gz HGBIPDWTIXBJIO-HZPDHXFCSA-N 2 1 290.451 3.247 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC)CC[NH2+]1 ZINC001246073066 804110115 /nfs/dbraw/zinc/11/01/15/804110115.db2.gz SMMWPLCRVALGAV-HOTGVXAUSA-N 2 1 276.424 3.096 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC001246084755 804120982 /nfs/dbraw/zinc/12/09/82/804120982.db2.gz GNONAUUYULBZMK-SWLSCSKDSA-N 2 1 284.806 3.345 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246099731 804131667 /nfs/dbraw/zinc/13/16/67/804131667.db2.gz YNSKCYOGROJVCY-YGRLFVJLSA-N 2 1 287.234 3.266 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)cc1 ZINC001246101579 804135633 /nfs/dbraw/zinc/13/56/33/804135633.db2.gz ADJVCNHNSJCROV-MPGHIAIKSA-N 2 1 274.452 3.158 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1CCC([NH+](C)C)CC1 ZINC001139151963 804139977 /nfs/dbraw/zinc/13/99/77/804139977.db2.gz NNPOCATUQANVPL-UHFFFAOYSA-N 2 1 285.435 3.187 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246108644 804140635 /nfs/dbraw/zinc/14/06/35/804140635.db2.gz KTAHIHXZJPFRMR-UAKXVISKSA-N 2 1 299.245 3.048 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4cccnc4c3)C2)CC1 ZINC001139167873 804147835 /nfs/dbraw/zinc/14/78/35/804147835.db2.gz DZGWAATWEDSIKL-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246115668 804148131 /nfs/dbraw/zinc/14/81/31/804148131.db2.gz RYKJVGKWYSEIQN-HUUCEWRRSA-N 2 1 258.425 3.417 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C)CC3CC[NH+](C)CC3)c21 ZINC001139197007 804156818 /nfs/dbraw/zinc/15/68/18/804156818.db2.gz ANTYWNRXSPFGQH-UHFFFAOYSA-N 2 1 285.435 3.250 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3C[NH2+]CC34CC4)C2)cc1 ZINC001246131569 804157847 /nfs/dbraw/zinc/15/78/47/804157847.db2.gz KWOYSQIAWBDAKO-IXDOHACOSA-N 2 1 270.420 3.054 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159944 804175572 /nfs/dbraw/zinc/17/55/72/804175572.db2.gz LPRIHQYIEORHHC-XMTFNYHQSA-N 2 1 296.499 3.338 20 0 CGADMP CCCC[C@H](CCC)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160617 804177621 /nfs/dbraw/zinc/17/76/21/804177621.db2.gz NTOAXGARVAVOKG-GVDBMIGSSA-N 2 1 282.472 3.236 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246161989 804179415 /nfs/dbraw/zinc/17/94/15/804179415.db2.gz UXSBRZFOUWZCAW-YYIAUSFCSA-N 2 1 282.472 3.092 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246174268 804189496 /nfs/dbraw/zinc/18/94/96/804189496.db2.gz JEEZXUTZPUYZKR-HNNXBMFYSA-N 2 1 258.425 3.129 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)C[NH2+]1 ZINC001246180410 804194260 /nfs/dbraw/zinc/19/42/60/804194260.db2.gz QYBJOGJRHCQBNQ-DOMZBBRYSA-N 2 1 280.843 3.391 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246236302 804229021 /nfs/dbraw/zinc/22/90/21/804229021.db2.gz VKRYSQIAGWCXJM-LAVFITLUSA-N 2 1 272.436 3.443 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2ccc(F)cc2OC)C[C@@H](CC)[NH2+]1 ZINC001246264698 804246363 /nfs/dbraw/zinc/24/63/63/804246363.db2.gz OQPULSBKRPRNCY-HUUCEWRRSA-N 2 1 294.414 3.233 20 0 CGADMP CC1(C)CCC([NH2+][C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC001246267476 804247704 /nfs/dbraw/zinc/24/77/04/804247704.db2.gz NDGFCWDXDGFPDC-MRXNPFEDSA-N 2 1 260.425 3.115 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC001246273470 804249251 /nfs/dbraw/zinc/24/92/51/804249251.db2.gz JGSLIZNRPNOZSA-DVOMOZLQSA-N 2 1 264.388 3.253 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299609 804266545 /nfs/dbraw/zinc/26/65/45/804266545.db2.gz LHDJJYAOKWLFSX-WBVHZDCISA-N 2 1 260.425 3.281 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCCCCCCCCC[NH3+])C[NH2+]1 ZINC001246332044 804288023 /nfs/dbraw/zinc/28/80/23/804288023.db2.gz DAFURAKSTQKIHC-SJORKVTESA-N 3 1 283.504 3.186 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC(C)(C)C1 ZINC001246340745 804293188 /nfs/dbraw/zinc/29/31/88/804293188.db2.gz KNXULCLKOGGRQS-MROQNXINSA-N 2 1 292.389 3.331 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246342074 804294589 /nfs/dbraw/zinc/29/45/89/804294589.db2.gz DZAHXGOUNUFYEP-RYUDHWBXSA-N 2 1 266.816 3.267 20 0 CGADMP CCCCC1CCC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246342986 804294816 /nfs/dbraw/zinc/29/48/16/804294816.db2.gz QLEGLPRRYUJUEB-LMPOIIKSSA-N 2 1 252.446 3.466 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001246345386 804296932 /nfs/dbraw/zinc/29/69/32/804296932.db2.gz MMHRWVMVDMBLSG-CJNGLKHVSA-N 2 1 262.441 3.143 20 0 CGADMP c1ccc2c(c1)NC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246355646 804301779 /nfs/dbraw/zinc/30/17/79/804301779.db2.gz LHGIINMZUONAKU-RHSMWYFYSA-N 2 1 285.435 3.198 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2F)C[C@H](CC)[NH2+]1 ZINC001246355971 804301815 /nfs/dbraw/zinc/30/18/15/804301815.db2.gz RAGKIFSRTANLSG-QDMKHBRRSA-N 2 1 294.414 3.233 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246361788 804305242 /nfs/dbraw/zinc/30/52/42/804305242.db2.gz MGOIQJQHYMXDAN-HOCLYGCPSA-N 2 1 290.451 3.297 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246361791 804306683 /nfs/dbraw/zinc/30/66/83/804306683.db2.gz MGOIQJQHYMXDAN-ZBFHGGJFSA-N 2 1 290.451 3.297 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883174 804311567 /nfs/dbraw/zinc/31/15/67/804311567.db2.gz FWLZHFSSLAUKLJ-SJLPKXTDSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cncc4ccccc43)C2)CC1 ZINC001139896528 804321572 /nfs/dbraw/zinc/32/15/72/804321572.db2.gz CYEAAOUCPDCQCM-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP CCC[C@@]1(C[NH2+][C@@H](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246457324 804337827 /nfs/dbraw/zinc/33/78/27/804337827.db2.gz SHVPSRHAWMCDLC-BBRMVZONSA-N 2 1 280.843 3.393 20 0 CGADMP CCC[C@@]1(C[NH2+][C@H](C)CSc2ccc(F)cc2)CC[NH2+]1 ZINC001246459779 804340900 /nfs/dbraw/zinc/34/09/00/804340900.db2.gz GQSGYIGMIHFTAJ-CJNGLKHVSA-N 2 1 296.455 3.428 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC[NH2+]1 ZINC001246486592 804355367 /nfs/dbraw/zinc/35/53/67/804355367.db2.gz COUPTIQGVJHWDC-UVBJJODRSA-N 2 1 294.389 3.318 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC001246487264 804356801 /nfs/dbraw/zinc/35/68/01/804356801.db2.gz KTDQGFBVUVDDPE-RDBSUJKOSA-N 2 1 288.426 3.426 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cc(F)cc(Cl)c1 ZINC001246489460 804356963 /nfs/dbraw/zinc/35/69/63/804356963.db2.gz NPHHJLIIHLHOSK-RBZYPMLTSA-N 2 1 270.779 3.270 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC001246487261 804357664 /nfs/dbraw/zinc/35/76/64/804357664.db2.gz KTDQGFBVUVDDPE-MCIONIFRSA-N 2 1 288.426 3.426 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246494850 804360668 /nfs/dbraw/zinc/36/06/68/804360668.db2.gz LZIACYBXJKGAEA-FIXIBIHLSA-N 2 1 296.867 3.161 20 0 CGADMP CNc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246505009 804365654 /nfs/dbraw/zinc/36/56/54/804365654.db2.gz KBWGURONKFCURK-OALUTQOASA-N 2 1 295.430 3.311 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)C)CC[NH2+]1 ZINC001246520655 804374343 /nfs/dbraw/zinc/37/43/43/804374343.db2.gz USSUAZGNVCHSKX-DLBZAZTESA-N 2 1 260.425 3.428 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246521219 804377246 /nfs/dbraw/zinc/37/72/46/804377246.db2.gz YGYHLFIQVFFOGR-INIZCTEOSA-N 2 1 272.436 3.429 20 0 CGADMP CCC[N@@H+](CC1CC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246533154 804383927 /nfs/dbraw/zinc/38/39/27/804383927.db2.gz TWCLRFRDTOIWJR-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246533583 804384317 /nfs/dbraw/zinc/38/43/17/804384317.db2.gz VSOJGCWYBRFNDD-JKSUJKDBSA-N 2 1 252.446 3.418 20 0 CGADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246538594 804387132 /nfs/dbraw/zinc/38/71/32/804387132.db2.gz DBBDBCHSTUIFIB-KBPBESRZSA-N 2 1 278.827 3.011 20 0 CGADMP C[C@H]1C[N@H+](C2CCC(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC001246538147 804389514 /nfs/dbraw/zinc/38/95/14/804389514.db2.gz ANDYYNQTLGXTNG-WEOZKBJRSA-N 2 1 286.463 3.315 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246545648 804393121 /nfs/dbraw/zinc/39/31/21/804393121.db2.gz HJEWACCTQRPVLP-PKOBYXMFSA-N 2 1 284.447 3.275 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001246545052 804393932 /nfs/dbraw/zinc/39/39/32/804393932.db2.gz WSMLEPXNZYFXEJ-NVXWUHKLSA-N 2 1 260.425 3.129 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246547034 804394922 /nfs/dbraw/zinc/39/49/22/804394922.db2.gz AICJOPKTFWKFSJ-JHJVBQTASA-N 2 1 298.833 3.327 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246547034 804394929 /nfs/dbraw/zinc/39/49/29/804394929.db2.gz AICJOPKTFWKFSJ-JHJVBQTASA-N 2 1 298.833 3.327 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)CSc2ccc(C)cc2)C1 ZINC001246546636 804396517 /nfs/dbraw/zinc/39/65/17/804396517.db2.gz DKABQNUZWGOKEX-HZPDHXFCSA-N 2 1 292.492 3.407 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2Cc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC001246551229 804400789 /nfs/dbraw/zinc/40/07/89/804400789.db2.gz XNQRTXWXFDQULR-FVQBIDKESA-N 2 1 258.409 3.136 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246552050 804402220 /nfs/dbraw/zinc/40/22/20/804402220.db2.gz NPOXJQOZBOLMBZ-CJNGLKHVSA-N 2 1 278.827 3.011 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246553274 804402530 /nfs/dbraw/zinc/40/25/30/804402530.db2.gz XKKZFNRRZUMJHL-HUUCEWRRSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246554402 804403846 /nfs/dbraw/zinc/40/38/46/804403846.db2.gz WIEUEEYFFXLWDL-UMVBOHGHSA-N 2 1 280.843 3.188 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC(C)(C)C1 ZINC001246555628 804406495 /nfs/dbraw/zinc/40/64/95/804406495.db2.gz XUJGEUTVPRKIEK-YCPHGPKFSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CSc3ccccc3C2)CC[C@@H]1C[NH3+] ZINC001246558939 804407734 /nfs/dbraw/zinc/40/77/34/804407734.db2.gz OCZHIGVPGUUMEF-FVQBIDKESA-N 2 1 290.476 3.010 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246567782 804415492 /nfs/dbraw/zinc/41/54/92/804415492.db2.gz XSZKTFLHMMQSRU-UPJWGTAASA-N 2 1 298.833 3.469 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246567782 804415495 /nfs/dbraw/zinc/41/54/95/804415495.db2.gz XSZKTFLHMMQSRU-UPJWGTAASA-N 2 1 298.833 3.469 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246570772 804416991 /nfs/dbraw/zinc/41/69/91/804416991.db2.gz VLOJZKTVQMLJCX-OWCLPIDISA-N 2 1 252.446 3.428 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@@H](C)C2)CC[NH2+]1 ZINC001246571159 804417221 /nfs/dbraw/zinc/41/72/21/804417221.db2.gz HRVVIWHMBZDVJX-JONQDZQNSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCCC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246571831 804418763 /nfs/dbraw/zinc/41/87/63/804418763.db2.gz XANHQACOYRJUCR-RBSFLKMASA-N 2 1 252.446 3.262 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246573468 804420431 /nfs/dbraw/zinc/42/04/31/804420431.db2.gz CVQADSRFIQOQFM-JSGCOSHPSA-N 2 1 276.465 3.060 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246573468 804420434 /nfs/dbraw/zinc/42/04/34/804420434.db2.gz CVQADSRFIQOQFM-JSGCOSHPSA-N 2 1 276.465 3.060 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001246575028 804422142 /nfs/dbraw/zinc/42/21/42/804422142.db2.gz GLTVAWWOSGGVRX-RWMBFGLXSA-N 2 1 296.352 3.260 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001246575028 804422143 /nfs/dbraw/zinc/42/21/43/804422143.db2.gz GLTVAWWOSGGVRX-RWMBFGLXSA-N 2 1 296.352 3.260 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001246575885 804423169 /nfs/dbraw/zinc/42/31/69/804423169.db2.gz LKAQYYUVTOFAJK-ROUUACIJSA-N 2 1 290.426 3.134 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246581532 804425851 /nfs/dbraw/zinc/42/58/51/804425851.db2.gz QLXHXRZXQXNRQD-CABCVRRESA-N 2 1 258.425 3.498 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246581532 804425854 /nfs/dbraw/zinc/42/58/54/804425854.db2.gz QLXHXRZXQXNRQD-CABCVRRESA-N 2 1 258.425 3.498 20 0 CGADMP CCC1CCC([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246581509 804426335 /nfs/dbraw/zinc/42/63/35/804426335.db2.gz QDHKTMXSGUZXOL-YMAMQOFZSA-N 2 1 256.409 3.108 20 0 CGADMP CCC1CCC([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246581509 804426338 /nfs/dbraw/zinc/42/63/38/804426338.db2.gz QDHKTMXSGUZXOL-YMAMQOFZSA-N 2 1 256.409 3.108 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582463 804426691 /nfs/dbraw/zinc/42/66/91/804426691.db2.gz MSXCZLUBGCLWKD-CXAGYDPISA-N 2 1 292.854 3.258 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589210 804431312 /nfs/dbraw/zinc/43/13/12/804431312.db2.gz SFAOZGQQSZWLDJ-BRWVUGGUSA-N 2 1 278.415 3.159 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589210 804431318 /nfs/dbraw/zinc/43/13/18/804431318.db2.gz SFAOZGQQSZWLDJ-BRWVUGGUSA-N 2 1 278.415 3.159 20 0 CGADMP CC[C@@H]1CC([N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246593373 804435442 /nfs/dbraw/zinc/43/54/42/804435442.db2.gz MQNMDYDODSFEPZ-BRWVUGGUSA-N 3 1 295.515 3.148 20 0 CGADMP CC[C@@H]1CC(N(C(C)C)[C@@H]2CCC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246593373 804435444 /nfs/dbraw/zinc/43/54/44/804435444.db2.gz MQNMDYDODSFEPZ-BRWVUGGUSA-N 2 1 295.515 3.148 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001246592686 804435784 /nfs/dbraw/zinc/43/57/84/804435784.db2.gz GTAGTCVUXSGDDR-HUUCEWRRSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001246592686 804435786 /nfs/dbraw/zinc/43/57/86/804435786.db2.gz GTAGTCVUXSGDDR-HUUCEWRRSA-N 2 1 278.465 3.159 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246597567 804437240 /nfs/dbraw/zinc/43/72/40/804437240.db2.gz XMQMCJGZYDWXLZ-ZIAGYGMSSA-N 2 1 296.455 3.367 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598495 804437352 /nfs/dbraw/zinc/43/73/52/804437352.db2.gz ANIQTKQHHFUBSY-RBUKOAKNSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598495 804437354 /nfs/dbraw/zinc/43/73/54/804437354.db2.gz ANIQTKQHHFUBSY-RBUKOAKNSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]23CCC[NH2+]C3)CC(C)(C)C1 ZINC001246602087 804440169 /nfs/dbraw/zinc/44/01/69/804440169.db2.gz IYOAKHDLFZFADL-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246604403 804441993 /nfs/dbraw/zinc/44/19/93/804441993.db2.gz LROUFACGMQHNDA-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001246611968 804446489 /nfs/dbraw/zinc/44/64/89/804446489.db2.gz VETQLMBNUBINPN-MJGOQNOKSA-N 2 1 286.463 3.392 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246614685 804448427 /nfs/dbraw/zinc/44/84/27/804448427.db2.gz UGJOUSDRKZSODO-WOJBJXKFSA-N 2 1 298.474 3.318 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246613967 804449128 /nfs/dbraw/zinc/44/91/28/804449128.db2.gz MLUXMHMWJVAXDM-CRAIPNDOSA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246613967 804449131 /nfs/dbraw/zinc/44/91/31/804449131.db2.gz MLUXMHMWJVAXDM-CRAIPNDOSA-N 2 1 272.436 3.008 20 0 CGADMP C1CCC2(C1)CCC([N@@H+]1CC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246615440 804449949 /nfs/dbraw/zinc/44/99/49/804449949.db2.gz TUACCRDEEZIPML-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1CC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246615440 804449952 /nfs/dbraw/zinc/44/99/52/804449952.db2.gz TUACCRDEEZIPML-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246623657 804455266 /nfs/dbraw/zinc/45/52/66/804455266.db2.gz BGMVRDREMAIDCI-PBHICJAKSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246623657 804455270 /nfs/dbraw/zinc/45/52/70/804455270.db2.gz BGMVRDREMAIDCI-PBHICJAKSA-N 2 1 292.854 3.347 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246623348 804455704 /nfs/dbraw/zinc/45/57/04/804455704.db2.gz PVMMUYGHQYDIKK-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246623348 804455706 /nfs/dbraw/zinc/45/57/06/804455706.db2.gz PVMMUYGHQYDIKK-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246625526 804457087 /nfs/dbraw/zinc/45/70/87/804457087.db2.gz WHSKDPRBDYUJJF-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246628905 804460172 /nfs/dbraw/zinc/46/01/72/804460172.db2.gz MLHMSQHYIQZOBA-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629222 804460507 /nfs/dbraw/zinc/46/05/07/804460507.db2.gz YGYYBACHQSQONF-LVQVYYBASA-N 2 1 252.446 3.131 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246632867 804461959 /nfs/dbraw/zinc/46/19/59/804461959.db2.gz XJQCYIXSJYMBRY-ZBFHGGJFSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633374 804463595 /nfs/dbraw/zinc/46/35/95/804463595.db2.gz DHGHFTPHPPLPAL-MSOLQXFVSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633374 804463601 /nfs/dbraw/zinc/46/36/01/804463601.db2.gz DHGHFTPHPPLPAL-MSOLQXFVSA-N 2 1 272.436 3.082 20 0 CGADMP CCCC(CCC)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246634940 804465659 /nfs/dbraw/zinc/46/56/59/804465659.db2.gz BMGNDFZAHSBNQY-CQSZACIVSA-N 2 1 274.399 3.276 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246639371 804466989 /nfs/dbraw/zinc/46/69/89/804466989.db2.gz QQSSQMFKIZMNRF-ZWKOTPCHSA-N 2 1 296.499 3.293 20 0 CGADMP C1C[C@]2(CC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C2)[NH2+]1 ZINC001246638438 804467609 /nfs/dbraw/zinc/46/76/09/804467609.db2.gz SFLHXXXSUMJFRY-DOTOQJQBSA-N 2 1 262.441 3.317 20 0 CGADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246641693 804469310 /nfs/dbraw/zinc/46/93/10/804469310.db2.gz KIDIIWRLGBDZCX-QDMKHBRRSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246642995 804470928 /nfs/dbraw/zinc/47/09/28/804470928.db2.gz LDOLQKUHSMNAOS-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246644627 804471703 /nfs/dbraw/zinc/47/17/03/804471703.db2.gz IKFUWRYSLBOQIY-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246656959 804482388 /nfs/dbraw/zinc/48/23/88/804482388.db2.gz PMQPNNZBGPGAKQ-QXSJWSMHSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246656959 804482395 /nfs/dbraw/zinc/48/23/95/804482395.db2.gz PMQPNNZBGPGAKQ-QXSJWSMHSA-N 2 1 264.457 3.275 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246668600 804488592 /nfs/dbraw/zinc/48/85/92/804488592.db2.gz ZMDVBLJDOWHDEV-HIEASXQVSA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@H](C4C[NH2+]C4)C3)CC2)cc1 ZINC001246671132 804489240 /nfs/dbraw/zinc/48/92/40/804489240.db2.gz AAKFXJHICOTTBI-QPIRBTGLSA-N 2 1 298.474 3.329 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246676176 804491749 /nfs/dbraw/zinc/49/17/49/804491749.db2.gz AJMBSQRUYNDIHZ-QZWWFDLISA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246682141 804495417 /nfs/dbraw/zinc/49/54/17/804495417.db2.gz SRFAWAMOCVJPNS-INMHGKMJSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246682141 804495421 /nfs/dbraw/zinc/49/54/21/804495421.db2.gz SRFAWAMOCVJPNS-INMHGKMJSA-N 2 1 258.409 3.272 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246685675 804495701 /nfs/dbraw/zinc/49/57/01/804495701.db2.gz ARVDUXZRRCEMLR-QAETUUGQSA-N 2 1 284.463 3.471 20 0 CGADMP C[C@H]1CC([N@@H+](C)CCCc2ccccc2)C[C@H](C)[NH2+]1 ZINC001246775987 804506825 /nfs/dbraw/zinc/50/68/25/804506825.db2.gz MARUKAPKNDAXHY-GJZGRUSLSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@H](C)[C@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246790341 804513889 /nfs/dbraw/zinc/51/38/89/804513889.db2.gz NOSVVZHEPQNIGX-GBJTYRQASA-N 2 1 252.446 3.416 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246790811 804514316 /nfs/dbraw/zinc/51/43/16/804514316.db2.gz MZCCSWTXCITKCK-QXSJWSMHSA-N 2 1 250.430 3.314 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246793204 804517497 /nfs/dbraw/zinc/51/74/97/804517497.db2.gz BDCRQGFWHQOKSH-CQSZACIVSA-N 2 1 278.415 3.078 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794464 804517907 /nfs/dbraw/zinc/51/79/07/804517907.db2.gz ZUQSFZGTCBKTSR-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246796633 804519653 /nfs/dbraw/zinc/51/96/53/804519653.db2.gz MTEMHTZYDFOTTP-IRXDYDNUSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC001246803391 804523408 /nfs/dbraw/zinc/52/34/08/804523408.db2.gz JTGCZKAXGIAVPR-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+](CCc1cccc(F)c1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805401 804523458 /nfs/dbraw/zinc/52/34/58/804523458.db2.gz DLTDBDWYHYONKF-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805401 804523462 /nfs/dbraw/zinc/52/34/62/804523462.db2.gz DLTDBDWYHYONKF-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246803392 804524065 /nfs/dbraw/zinc/52/40/65/804524065.db2.gz JTKCXIBDMBQOCE-KBPBESRZSA-N 2 1 276.399 3.146 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2[C@H]2CCC[NH2+]CC2)c1 ZINC001246807644 804525219 /nfs/dbraw/zinc/52/52/19/804525219.db2.gz OOBXFENHNJFKGV-WMZOPIPTSA-N 2 1 288.435 3.364 20 0 CGADMP Clc1ccccc1[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246811089 804528859 /nfs/dbraw/zinc/52/88/59/804528859.db2.gz RRFVPCWZEYVFFY-UONOGXRCSA-N 2 1 278.827 3.271 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246812442 804529002 /nfs/dbraw/zinc/52/90/02/804529002.db2.gz DFMMGCBYXAUAFK-QZTJIDSGSA-N 2 1 274.452 3.246 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001246813851 804530587 /nfs/dbraw/zinc/53/05/87/804530587.db2.gz OSPKQEFBTUTBQE-OAHLLOKOSA-N 2 1 278.516 3.364 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246813931 804530726 /nfs/dbraw/zinc/53/07/26/804530726.db2.gz MTCUPWDHZBKFAX-MOPGFXCFSA-N 2 1 286.463 3.392 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246820024 804534901 /nfs/dbraw/zinc/53/49/01/804534901.db2.gz DUMOKPCMQPCHKU-AEFFLSMTSA-N 2 1 288.435 3.364 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)C1CCC2(C[NH2+]C2)CC1 ZINC001246820456 804535179 /nfs/dbraw/zinc/53/51/79/804535179.db2.gz GKXGSLWYNJASTH-UHFFFAOYSA-N 2 1 292.854 3.347 20 0 CGADMP Cc1c[nH]c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001140861891 804537258 /nfs/dbraw/zinc/53/72/58/804537258.db2.gz SHXOOIMFIYFGNE-DLBZAZTESA-N 2 1 289.467 3.470 20 0 CGADMP Cc1c[nH]c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001140861891 804537266 /nfs/dbraw/zinc/53/72/66/804537266.db2.gz SHXOOIMFIYFGNE-DLBZAZTESA-N 2 1 289.467 3.470 20 0 CGADMP Cc1c[nH]c(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001140861891 804537273 /nfs/dbraw/zinc/53/72/73/804537273.db2.gz SHXOOIMFIYFGNE-DLBZAZTESA-N 2 1 289.467 3.470 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC3(CCC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246828644 804539317 /nfs/dbraw/zinc/53/93/17/804539317.db2.gz DWXHILVYDLXRQQ-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246831445 804540266 /nfs/dbraw/zinc/54/02/66/804540266.db2.gz FDWKABILFMIWMB-YYIAUSFCSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246831445 804540269 /nfs/dbraw/zinc/54/02/69/804540269.db2.gz FDWKABILFMIWMB-YYIAUSFCSA-N 2 1 264.457 3.275 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839632 804548305 /nfs/dbraw/zinc/54/83/05/804548305.db2.gz JPEKXECWDYLCCF-ZMSDIMECSA-N 2 1 290.451 3.465 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839632 804548310 /nfs/dbraw/zinc/54/83/10/804548310.db2.gz JPEKXECWDYLCCF-ZMSDIMECSA-N 2 1 290.451 3.465 20 0 CGADMP CC[C@H]1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246839355 804548550 /nfs/dbraw/zinc/54/85/50/804548550.db2.gz ABPPANFGUMOFCD-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839917 804548825 /nfs/dbraw/zinc/54/88/25/804548825.db2.gz LIHYZLZUFVKXKW-DLBZAZTESA-N 2 1 278.415 3.424 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001246841605 804550105 /nfs/dbraw/zinc/55/01/05/804550105.db2.gz NNTOQVILEWNLNE-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246841138 804550940 /nfs/dbraw/zinc/55/09/40/804550940.db2.gz TXWASROWEYWFBH-OAHLLOKOSA-N 2 1 264.388 3.178 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844268 804552315 /nfs/dbraw/zinc/55/23/15/804552315.db2.gz YDWLGCRQXGLJLQ-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC1 ZINC001246843587 804552800 /nfs/dbraw/zinc/55/28/00/804552800.db2.gz VEEHQLPTCCABED-OAADTKLRSA-N 2 1 264.457 3.260 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)CC2CCCCC2)CC[NH2+]1 ZINC001246847309 804555918 /nfs/dbraw/zinc/55/59/18/804555918.db2.gz SPCDBMWUYXFDPU-CVEARBPZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+](CC)Cc2ccccc2F)CC[NH2+]1 ZINC001246846253 804556743 /nfs/dbraw/zinc/55/67/43/804556743.db2.gz NOHUEUIKUJKBFG-CABCVRRESA-N 2 1 264.388 3.178 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2ccccc2F)CC[NH2+]1 ZINC001246846253 804556750 /nfs/dbraw/zinc/55/67/50/804556750.db2.gz NOHUEUIKUJKBFG-CABCVRRESA-N 2 1 264.388 3.178 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246847589 804557510 /nfs/dbraw/zinc/55/75/10/804557510.db2.gz UWXOZFNSAGNTEM-BFHYXJOUSA-N 2 1 252.446 3.131 20 0 CGADMP Clc1cccc([C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)c1 ZINC001246850596 804560642 /nfs/dbraw/zinc/56/06/42/804560642.db2.gz JKGDQWOHZDHBKY-GDBMZVCRSA-N 2 1 278.827 3.271 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001246861817 804565030 /nfs/dbraw/zinc/56/50/30/804565030.db2.gz DZCBRVCGCOELFK-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[C@@H](C)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246863938 804568315 /nfs/dbraw/zinc/56/83/15/804568315.db2.gz STLHROUKSFJWED-OAHLLOKOSA-N 2 1 272.436 3.312 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246867442 804570214 /nfs/dbraw/zinc/57/02/14/804570214.db2.gz XSEPDJVRWGLUOK-HNNXBMFYSA-N 2 1 264.388 3.178 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246876683 804574202 /nfs/dbraw/zinc/57/42/02/804574202.db2.gz HIYGGMQNRJHIPI-OWYHZJEWSA-N 2 1 284.447 3.038 20 0 CGADMP CC[N@@H+](Cc1cccs1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246879782 804576045 /nfs/dbraw/zinc/57/60/45/804576045.db2.gz CQWFJMCQBAUMIW-UHFFFAOYSA-N 2 1 278.465 3.492 20 0 CGADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C2(CC2)C1 ZINC001246892875 804582762 /nfs/dbraw/zinc/58/27/62/804582762.db2.gz JOFVMVDQYYZAJF-RYQLBKOJSA-N 2 1 284.447 3.224 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)C(C)(C)Cc2ccccc2)CC1 ZINC001246891448 804582954 /nfs/dbraw/zinc/58/29/54/804582954.db2.gz LFLVUQLEOBFOPO-UHFFFAOYSA-N 2 1 274.452 3.470 20 0 CGADMP CCC[N@@H+]([C@H](CC)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246894674 804585488 /nfs/dbraw/zinc/58/54/88/804585488.db2.gz PJCGESYAPNQSMP-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CC[NH2+]1 ZINC001246895186 804585600 /nfs/dbraw/zinc/58/56/00/804585600.db2.gz WKTYUPAJLLKABI-DLBZAZTESA-N 2 1 274.452 3.470 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH2+]1 ZINC001246901356 804588558 /nfs/dbraw/zinc/58/85/58/804588558.db2.gz MNDHCVIKQISGAR-IYOUNJFTSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246912471 804594661 /nfs/dbraw/zinc/59/46/61/804594661.db2.gz DYHVZQSTSLDYEI-CRAIPNDOSA-N 2 1 272.436 3.429 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001246920943 804600774 /nfs/dbraw/zinc/60/07/74/804600774.db2.gz PNJWGIAQUSHUOU-ACBHZAAOSA-N 2 1 286.463 3.315 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001246922469 804602411 /nfs/dbraw/zinc/60/24/11/804602411.db2.gz WBDRTEKZBPNJFH-TVFCKZIOSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC(C)(C)C1 ZINC001246929848 804605971 /nfs/dbraw/zinc/60/59/71/804605971.db2.gz HBOZZYOODQMNSB-WCVJEAGWSA-N 2 1 264.457 3.133 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@](F)(C[NH3+])C2)CC1 ZINC001246945766 804613998 /nfs/dbraw/zinc/61/39/98/804613998.db2.gz LZPYQQHQYKXKGM-XUJLQICISA-N 2 1 270.436 3.354 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](CC)C[C@H]2CC[NH2+]C2)cc1 ZINC001246946844 804614785 /nfs/dbraw/zinc/61/47/85/804614785.db2.gz IAZUJCYSBATKLA-YJBOKZPZSA-N 2 1 274.452 3.111 20 0 CGADMP Fc1ccc(C[N@@H+](C2CCCC2)C2CC[NH2+]CC2)cc1F ZINC001246954860 804618153 /nfs/dbraw/zinc/61/81/53/804618153.db2.gz IXWDJDFWOVEVBY-UHFFFAOYSA-N 2 1 294.389 3.461 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246966325 804620328 /nfs/dbraw/zinc/62/03/28/804620328.db2.gz RLUMIMGTKOJIJY-PBHICJAKSA-N 2 1 258.409 3.182 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001246971719 804622548 /nfs/dbraw/zinc/62/25/48/804622548.db2.gz BPCTVCMGAMOSDN-XJNFMUPTSA-N 2 1 290.476 3.145 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246977046 804624131 /nfs/dbraw/zinc/62/41/31/804624131.db2.gz RPUZDMVYSISEQK-XUWVNRHRSA-N 2 1 252.446 3.260 20 0 CGADMP CC[C@@H](CC(C)C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246976746 804624306 /nfs/dbraw/zinc/62/43/06/804624306.db2.gz WCHARRCNPCNQFM-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246984066 804628330 /nfs/dbraw/zinc/62/83/30/804628330.db2.gz HFKDPOPSXDWRKW-NJAFHUGGSA-N 2 1 272.436 3.082 20 0 CGADMP CC[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246984064 804628624 /nfs/dbraw/zinc/62/86/24/804628624.db2.gz HFKDPOPSXDWRKW-BPQIPLTHSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246995170 804633120 /nfs/dbraw/zinc/63/31/20/804633120.db2.gz BSCSUQHVQFZUNZ-KGLIPLIRSA-N 2 1 250.430 3.301 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246995170 804633122 /nfs/dbraw/zinc/63/31/22/804633122.db2.gz BSCSUQHVQFZUNZ-KGLIPLIRSA-N 2 1 250.430 3.301 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001247001181 804634234 /nfs/dbraw/zinc/63/42/34/804634234.db2.gz JPDHYOFFINOHKH-IAGOWNOFSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247004344 804636336 /nfs/dbraw/zinc/63/63/36/804636336.db2.gz RIHKLDSPFBKZCA-XJKSGUPXSA-N 2 1 280.843 3.332 20 0 CGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](C2CCCCC2)CC1 ZINC001247007465 804637737 /nfs/dbraw/zinc/63/77/37/804637737.db2.gz WTLFPRMGEMQBRQ-UHFFFAOYSA-N 2 1 284.447 3.456 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012453 804640543 /nfs/dbraw/zinc/64/05/43/804640543.db2.gz DSTLWFUDLKKRIJ-JYJNAYRXSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012453 804640545 /nfs/dbraw/zinc/64/05/45/804640545.db2.gz DSTLWFUDLKKRIJ-JYJNAYRXSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015801 804642702 /nfs/dbraw/zinc/64/27/02/804642702.db2.gz PVEHNAXZANHBCN-KMFMINBZSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015801 804642706 /nfs/dbraw/zinc/64/27/06/804642706.db2.gz PVEHNAXZANHBCN-KMFMINBZSA-N 2 1 292.854 3.345 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015210 804642900 /nfs/dbraw/zinc/64/29/00/804642900.db2.gz NIXFZLUTSTXDQK-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015210 804642904 /nfs/dbraw/zinc/64/29/04/804642904.db2.gz NIXFZLUTSTXDQK-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCC[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014562 804643301 /nfs/dbraw/zinc/64/33/01/804643301.db2.gz KZARIZZWSLOHCW-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014562 804643307 /nfs/dbraw/zinc/64/33/07/804643307.db2.gz KZARIZZWSLOHCW-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP c1cc2c(nccc2C[NH+]2CCC([NH+]3CCCCC3)CC2)[nH]1 ZINC001142866082 804776926 /nfs/dbraw/zinc/77/69/26/804776926.db2.gz AKISAPPZELASFE-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP Cc1cc(F)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001143586400 804872001 /nfs/dbraw/zinc/87/20/01/804872001.db2.gz LFLYDHUHTXBKLH-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP Cc1cc(F)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001143586400 804872009 /nfs/dbraw/zinc/87/20/09/804872009.db2.gz LFLYDHUHTXBKLH-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2scnc2c1 ZINC001144744157 805050284 /nfs/dbraw/zinc/05/02/84/805050284.db2.gz MDJSSUOJTUMPLN-UHFFFAOYSA-N 2 1 291.464 3.460 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)ns1 ZINC001249582661 805180704 /nfs/dbraw/zinc/18/07/04/805180704.db2.gz VZPFKXRSVNHERN-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)ns1 ZINC001249582661 805180706 /nfs/dbraw/zinc/18/07/06/805180706.db2.gz VZPFKXRSVNHERN-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP C[NH+](C)CCC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001250158273 805451480 /nfs/dbraw/zinc/45/14/80/805451480.db2.gz UIAVBCKKLLWDHE-MSOLQXFVSA-N 2 1 270.420 3.301 20 0 CGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(C)c(Cl)c3C)C[C@H]2C1 ZINC001250207744 805490020 /nfs/dbraw/zinc/49/00/20/805490020.db2.gz ZMTPLRZYFAQKLL-IYBDPMFKSA-N 2 1 292.854 3.340 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861909 806994063 /nfs/dbraw/zinc/99/40/63/806994063.db2.gz ZHSINZHWFYLSRM-OAHLLOKOSA-N 2 1 273.424 3.315 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001257214509 807061415 /nfs/dbraw/zinc/06/14/15/807061415.db2.gz GCWAUXYAOLZSTB-OAHLLOKOSA-N 2 1 256.409 3.073 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C)[C@@H](C)C2)CC1 ZINC001257214615 807063867 /nfs/dbraw/zinc/06/38/67/807063867.db2.gz HWCJPKQHHWKHPW-CABCVRRESA-N 2 1 252.446 3.227 20 0 CGADMP CCC[N@H+](CCc1ccccn1)C1CC[NH+](C(C)C)CC1 ZINC001257221710 807065448 /nfs/dbraw/zinc/06/54/48/807065448.db2.gz DOZJCGDCFPGOEH-UHFFFAOYSA-N 2 1 289.467 3.209 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)C1CC[NH+](C(C)C)CC1 ZINC001257221710 807065455 /nfs/dbraw/zinc/06/54/55/807065455.db2.gz DOZJCGDCFPGOEH-UHFFFAOYSA-N 2 1 289.467 3.209 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257365654 807126810 /nfs/dbraw/zinc/12/68/10/807126810.db2.gz NRJTXYVDAAQLSN-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257365654 807126823 /nfs/dbraw/zinc/12/68/23/807126823.db2.gz NRJTXYVDAAQLSN-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257365654 807126828 /nfs/dbraw/zinc/12/68/28/807126828.db2.gz NRJTXYVDAAQLSN-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001257432004 807153216 /nfs/dbraw/zinc/15/32/16/807153216.db2.gz PQVSPCSSXGVIKC-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC2(COC2)CC1 ZINC001257897718 807246661 /nfs/dbraw/zinc/24/66/61/807246661.db2.gz NAAGNEKKEZOCAG-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001167824658 807256322 /nfs/dbraw/zinc/25/63/22/807256322.db2.gz DOEIGIRPNPNCGE-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3sccc32)CC1 ZINC001258008810 807264288 /nfs/dbraw/zinc/26/42/88/807264288.db2.gz GEJNQMNTHYSYTM-HNNXBMFYSA-N 2 1 278.465 3.445 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001258012160 807266802 /nfs/dbraw/zinc/26/68/02/807266802.db2.gz UIOSMLSMMSKFAY-ZDUSSCGKSA-N 2 1 274.399 3.084 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001258012160 807266807 /nfs/dbraw/zinc/26/68/07/807266807.db2.gz UIOSMLSMMSKFAY-ZDUSSCGKSA-N 2 1 274.399 3.084 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4C[C@H]5C[C@H]5C4)[C@H]3C2)cc1 ZINC001167897590 807269913 /nfs/dbraw/zinc/26/99/13/807269913.db2.gz KMDNHIMWJMQBCP-GTYQWKCWSA-N 2 1 296.458 3.285 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCC1)C2 ZINC001167959944 807286789 /nfs/dbraw/zinc/28/67/89/807286789.db2.gz VVCQUCSRFIETJP-ALOPSCKCSA-N 2 1 262.441 3.314 20 0 CGADMP C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1F ZINC001167982845 807290128 /nfs/dbraw/zinc/29/01/28/807290128.db2.gz CKHKLCDHLLFOSN-HYLRJUEESA-N 2 1 280.431 3.072 20 0 CGADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1F ZINC001167982845 807290133 /nfs/dbraw/zinc/29/01/33/807290133.db2.gz CKHKLCDHLLFOSN-HYLRJUEESA-N 2 1 280.431 3.072 20 0 CGADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1F ZINC001167982845 807290136 /nfs/dbraw/zinc/29/01/36/807290136.db2.gz CKHKLCDHLLFOSN-HYLRJUEESA-N 2 1 280.431 3.072 20 0 CGADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1F ZINC001167982845 807290138 /nfs/dbraw/zinc/29/01/38/807290138.db2.gz CKHKLCDHLLFOSN-HYLRJUEESA-N 2 1 280.431 3.072 20 0 CGADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1F ZINC001167982845 807290141 /nfs/dbraw/zinc/29/01/41/807290141.db2.gz CKHKLCDHLLFOSN-HYLRJUEESA-N 2 1 280.431 3.072 20 0 CGADMP F[C@@H]1CCCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983820 807291259 /nfs/dbraw/zinc/29/12/59/807291259.db2.gz IPCLOJQLUYBFMO-VPSFDDGASA-N 2 1 280.431 3.216 20 0 CGADMP F[C@@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983820 807291263 /nfs/dbraw/zinc/29/12/63/807291263.db2.gz IPCLOJQLUYBFMO-VPSFDDGASA-N 2 1 280.431 3.216 20 0 CGADMP F[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983820 807291274 /nfs/dbraw/zinc/29/12/74/807291274.db2.gz IPCLOJQLUYBFMO-VPSFDDGASA-N 2 1 280.431 3.216 20 0 CGADMP F[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983820 807291278 /nfs/dbraw/zinc/29/12/78/807291278.db2.gz IPCLOJQLUYBFMO-VPSFDDGASA-N 2 1 280.431 3.216 20 0 CGADMP F[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983820 807291282 /nfs/dbraw/zinc/29/12/82/807291282.db2.gz IPCLOJQLUYBFMO-VPSFDDGASA-N 2 1 280.431 3.216 20 0 CGADMP CC1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995330 807294568 /nfs/dbraw/zinc/29/45/68/807294568.db2.gz ATQMMLGUNAWTMS-XYPWUTKMSA-N 2 1 262.441 3.124 20 0 CGADMP C[C@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)C1 ZINC001258154523 807324397 /nfs/dbraw/zinc/32/43/97/807324397.db2.gz ZCJUCOVGDDXDLU-LYHPXFHOSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)C1 ZINC001258154523 807324405 /nfs/dbraw/zinc/32/44/05/807324405.db2.gz ZCJUCOVGDDXDLU-LYHPXFHOSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001258182152 807346825 /nfs/dbraw/zinc/34/68/25/807346825.db2.gz WTHYBUXNUUGAGT-ZBFHGGJFSA-N 2 1 276.424 3.065 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001258182152 807346835 /nfs/dbraw/zinc/34/68/35/807346835.db2.gz WTHYBUXNUUGAGT-ZBFHGGJFSA-N 2 1 276.424 3.065 20 0 CGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC001168220531 807355028 /nfs/dbraw/zinc/35/50/28/807355028.db2.gz WMMCMDAOWBUUNZ-HTWSVDAQSA-N 2 1 294.483 3.140 20 0 CGADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258207390 807363407 /nfs/dbraw/zinc/36/34/07/807363407.db2.gz XUKVJLVBIWAGLU-HOCLYGCPSA-N 2 1 284.513 3.372 20 0 CGADMP CSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258207390 807363415 /nfs/dbraw/zinc/36/34/15/807363415.db2.gz XUKVJLVBIWAGLU-HOCLYGCPSA-N 2 1 284.513 3.372 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258340721 807418883 /nfs/dbraw/zinc/41/88/83/807418883.db2.gz HKEZDFVYOHRLSX-CQSZACIVSA-N 2 1 284.513 3.324 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CC(C)(C)SC ZINC001258346537 807422817 /nfs/dbraw/zinc/42/28/17/807422817.db2.gz SODRPACBUMYVLX-ZDUSSCGKSA-N 2 1 260.491 3.180 20 0 CGADMP CCCCC(CCCC)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258381284 807432679 /nfs/dbraw/zinc/43/26/79/807432679.db2.gz XOTGDBBPMCGJDZ-UHFFFAOYSA-N 3 1 285.520 3.338 20 0 CGADMP CCCCC(CCCC)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258381284 807432682 /nfs/dbraw/zinc/43/26/82/807432682.db2.gz XOTGDBBPMCGJDZ-UHFFFAOYSA-N 3 1 285.520 3.338 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)CC1CC1 ZINC001258453496 807459305 /nfs/dbraw/zinc/45/93/05/807459305.db2.gz AZZBMWHERDOTRM-GJZGRUSLSA-N 2 1 260.425 3.272 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258457237 807462704 /nfs/dbraw/zinc/46/27/04/807462704.db2.gz ULPPBAPDKXBLBX-ZTFGCOKTSA-N 2 1 287.451 3.342 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2cccnc2)CC1 ZINC001258630460 807518589 /nfs/dbraw/zinc/51/85/89/807518589.db2.gz AMKUCHATPSVUON-INIZCTEOSA-N 2 1 289.467 3.209 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC(C)(C)C1 ZINC001258703345 807558737 /nfs/dbraw/zinc/55/87/37/807558737.db2.gz HSPMTOKJDQOQGI-KCYZZUKISA-N 2 1 264.457 3.085 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3occc3c1)C2 ZINC001169091489 807571125 /nfs/dbraw/zinc/57/11/25/807571125.db2.gz SGRPKBSXSPSDMA-PHZGNYQRSA-N 2 1 270.376 3.148 20 0 CGADMP CCC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169096793 807573062 /nfs/dbraw/zinc/57/30/62/807573062.db2.gz YKTOCBBVMNHAJI-WQZDSJPGSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095385 807574538 /nfs/dbraw/zinc/57/45/38/807574538.db2.gz QOILWXKVRHBTTI-BJWYYQGGSA-N 2 1 258.409 3.018 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1cccc3F)C2 ZINC001169099569 807576399 /nfs/dbraw/zinc/57/63/99/807576399.db2.gz BRAOPIHEYBLQHR-LKQDWFRTSA-N 2 1 274.383 3.028 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1coc3ccccc13)C2 ZINC001169101912 807578710 /nfs/dbraw/zinc/57/87/10/807578710.db2.gz WHACVJGKNYNRSQ-MUJYYYPQSA-N 2 1 284.403 3.190 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(OC)c1 ZINC001169107665 807579125 /nfs/dbraw/zinc/57/91/25/807579125.db2.gz JKFOOSDDWQNSRZ-XLMAVXFVSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1cccc(F)c1)C2 ZINC001169115707 807581385 /nfs/dbraw/zinc/58/13/85/807581385.db2.gz NCRFYBQFNIJBHJ-OSYLJGHBSA-N 2 1 290.426 3.362 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3cc(F)ccc31)C2 ZINC001169115065 807581750 /nfs/dbraw/zinc/58/17/50/807581750.db2.gz HHIABUHAKQISGA-KYHPRHEASA-N 2 1 288.410 3.418 20 0 CGADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2(C)C ZINC001169119059 807583251 /nfs/dbraw/zinc/58/32/51/807583251.db2.gz PMTMWTJKGQCGCA-HZLIJHQHSA-N 2 1 276.468 3.272 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258761038 807599185 /nfs/dbraw/zinc/59/91/85/807599185.db2.gz GSBPQAXGNSVKOQ-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CCC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258761038 807599190 /nfs/dbraw/zinc/59/91/90/807599190.db2.gz GSBPQAXGNSVKOQ-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CCC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258761038 807599192 /nfs/dbraw/zinc/59/91/92/807599192.db2.gz GSBPQAXGNSVKOQ-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[NH+]1CCC([NH+]2CCC3(CC(F)C3)CC2)CC1 ZINC001258772594 807604896 /nfs/dbraw/zinc/60/48/96/807604896.db2.gz UNMTVCPXHTZXQE-UHFFFAOYSA-N 2 1 268.420 3.075 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258786205 807612152 /nfs/dbraw/zinc/61/21/52/807612152.db2.gz ZLENZYCVEFKZPO-KLHDSHLOSA-N 2 1 282.472 3.172 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC(C(C)(C)C)CC2)CC1 ZINC001169245627 807612739 /nfs/dbraw/zinc/61/27/39/807612739.db2.gz GYFWLBFRLZMHNE-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001258811408 807630261 /nfs/dbraw/zinc/63/02/61/807630261.db2.gz YGQNKJNEAYHSLZ-GVRJEKJASA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001258811408 807630265 /nfs/dbraw/zinc/63/02/65/807630265.db2.gz YGQNKJNEAYHSLZ-GVRJEKJASA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001258826303 807641620 /nfs/dbraw/zinc/64/16/20/807641620.db2.gz CLAXOSGXWTYCQT-CZUORRHYSA-N 2 1 250.430 3.124 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(F)(F)c1ccccn1 ZINC001258901655 807670184 /nfs/dbraw/zinc/67/01/84/807670184.db2.gz KLNVULPSULNYRX-CQSZACIVSA-N 2 1 299.409 3.274 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170008789 807737290 /nfs/dbraw/zinc/73/72/90/807737290.db2.gz HRBPGIPJBJXJSW-UHFFFAOYSA-N 2 1 299.503 3.061 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001170071802 807748170 /nfs/dbraw/zinc/74/81/70/807748170.db2.gz VNZYTLJDNLVQTG-SJLPKXTDSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001170071802 807748171 /nfs/dbraw/zinc/74/81/71/807748171.db2.gz VNZYTLJDNLVQTG-SJLPKXTDSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cccc(N([C@@H]2CC[C@H](C)C2)C2CC[NH2+]CC2)[nH+]1 ZINC001170159215 807780131 /nfs/dbraw/zinc/78/01/31/807780131.db2.gz RFGARVJDHRQOCD-XJKSGUPXSA-N 2 1 273.424 3.137 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001170160981 807783083 /nfs/dbraw/zinc/78/30/83/807783083.db2.gz LDVAYXNFXUIUAK-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192748 807790264 /nfs/dbraw/zinc/79/02/64/807790264.db2.gz KFMXOHQQCQYQOL-HJWJTTGWSA-N 2 1 280.456 3.068 20 0 CGADMP C[C@H](Cc1ccccc1Cl)n1cc[nH+]c1CCC[NH3+] ZINC001170266400 807810364 /nfs/dbraw/zinc/81/03/64/807810364.db2.gz NXRGMYYQWZNCKG-GFCCVEGCSA-N 2 1 277.799 3.232 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001170288165 807816799 /nfs/dbraw/zinc/81/67/99/807816799.db2.gz LZRWGHPEZGIGCJ-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001170288165 807816807 /nfs/dbraw/zinc/81/68/07/807816807.db2.gz LZRWGHPEZGIGCJ-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001170288165 807816815 /nfs/dbraw/zinc/81/68/15/807816815.db2.gz LZRWGHPEZGIGCJ-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001170288165 807816823 /nfs/dbraw/zinc/81/68/23/807816823.db2.gz LZRWGHPEZGIGCJ-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170897760 807928368 /nfs/dbraw/zinc/92/83/68/807928368.db2.gz QZGNBBSHTLSGFI-ZDUSSCGKSA-N 2 1 289.810 3.076 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170914158 807931839 /nfs/dbraw/zinc/93/18/39/807931839.db2.gz HMNCTWIXNXJPSW-SUYBPPKGSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170914158 807931845 /nfs/dbraw/zinc/93/18/45/807931845.db2.gz HMNCTWIXNXJPSW-SUYBPPKGSA-N 2 1 292.854 3.127 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171115461 807987266 /nfs/dbraw/zinc/98/72/66/807987266.db2.gz DDLDQHGVEFOMGN-INIZCTEOSA-N 2 1 280.843 3.081 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+](C)C1CCC([NH3+])CC1)C2 ZINC001171552626 808093075 /nfs/dbraw/zinc/09/30/75/808093075.db2.gz CPUHZTGBMSPPJG-OFLPRAFFSA-N 2 1 272.436 3.054 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001171575989 808102118 /nfs/dbraw/zinc/10/21/18/808102118.db2.gz ZHHNGGJQBDKLAC-SFHVURJKSA-N 2 1 298.474 3.270 20 0 CGADMP Cc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cn1 ZINC001171613044 808105614 /nfs/dbraw/zinc/10/56/14/808105614.db2.gz FJIAFJDWKZFTBW-UHFFFAOYSA-N 2 1 275.440 3.131 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccoc2)CC1(C)C ZINC001171620688 808106858 /nfs/dbraw/zinc/10/68/58/808106858.db2.gz DMVPHPIWVIOTOY-UHFFFAOYSA-N 2 1 250.386 3.021 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1(C)C ZINC001171631102 808107920 /nfs/dbraw/zinc/10/79/20/808107920.db2.gz DUODKPXUAWZYOV-GOSISDBHSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)n1cncc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171627386 808107976 /nfs/dbraw/zinc/10/79/76/808107976.db2.gz RYZBKXYRQDMCGS-UHFFFAOYSA-N 2 1 292.471 3.205 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC001171659894 808113742 /nfs/dbraw/zinc/11/37/42/808113742.db2.gz GAEHUSZVZIHRCA-SJLPKXTDSA-N 2 1 274.452 3.390 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC001171739999 808128962 /nfs/dbraw/zinc/12/89/62/808128962.db2.gz AIEUWIAWUZHRHQ-MRXNPFEDSA-N 2 1 274.452 3.380 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)n1c[nH+]cc1CC[NH3+] ZINC001171958354 808159046 /nfs/dbraw/zinc/15/90/46/808159046.db2.gz VZPKYPIHLUONEH-LLVKDONJSA-N 2 1 297.324 3.207 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CC2)C3)cc1 ZINC001172069479 808170053 /nfs/dbraw/zinc/17/00/53/808170053.db2.gz UGIMGOARGOFQCX-BCDXTJNWSA-N 2 1 270.420 3.324 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC001172101140 808171341 /nfs/dbraw/zinc/17/13/41/808171341.db2.gz WHESFQYMXBCSST-ZSOGYDGISA-N 2 1 264.438 3.161 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3ncccc3c1)C2 ZINC001172101991 808171746 /nfs/dbraw/zinc/17/17/46/808171746.db2.gz ITVLPCQISSKJAE-NNZMDNLPSA-N 2 1 295.430 3.340 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC001172100216 808171951 /nfs/dbraw/zinc/17/19/51/808171951.db2.gz BICKZSKHQCDGEW-QDMKHBRRSA-N 2 1 278.465 3.204 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098995 808172332 /nfs/dbraw/zinc/17/23/32/808172332.db2.gz HSQFKTZSDLXZLZ-HHARLNAUSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172099770 808172705 /nfs/dbraw/zinc/17/27/05/808172705.db2.gz KAWVLEHLJMPVLX-SJWGOKEGSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172099770 808172709 /nfs/dbraw/zinc/17/27/09/808172709.db2.gz KAWVLEHLJMPVLX-SJWGOKEGSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102357 808174586 /nfs/dbraw/zinc/17/45/86/808174586.db2.gz MHGJGDFHKDUVLK-XDKFSHSGSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102357 808174589 /nfs/dbraw/zinc/17/45/89/808174589.db2.gz MHGJGDFHKDUVLK-XDKFSHSGSA-N 2 1 290.426 3.362 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172106523 808176498 /nfs/dbraw/zinc/17/64/98/808176498.db2.gz PWYBHZFWSZDURN-YYIAUSFCSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172106523 808176504 /nfs/dbraw/zinc/17/65/04/808176504.db2.gz PWYBHZFWSZDURN-YYIAUSFCSA-N 2 1 273.424 3.138 20 0 CGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cnc1Cl ZINC001172106486 808177162 /nfs/dbraw/zinc/17/71/62/808177162.db2.gz PFLSRSQEEKXYAL-QDMKHBRRSA-N 2 1 293.842 3.148 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3ccccc3CC1)C2 ZINC001172121187 808182231 /nfs/dbraw/zinc/18/22/31/808182231.db2.gz IWBMOWOQTIPPOQ-BWTSREIZSA-N 2 1 284.447 3.103 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCC3)CC1)C2 ZINC001172121878 808183388 /nfs/dbraw/zinc/18/33/88/808183388.db2.gz UTUKALZXCLGYGP-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP COc1cccc2c1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172127992 808185720 /nfs/dbraw/zinc/18/57/20/808185720.db2.gz NDJWXCGDPKMANU-MUJYYYPQSA-N 2 1 286.419 3.026 20 0 CGADMP COc1cccc2c1C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172127992 808185721 /nfs/dbraw/zinc/18/57/21/808185721.db2.gz NDJWXCGDPKMANU-MUJYYYPQSA-N 2 1 286.419 3.026 20 0 CGADMP COc1cccc2c1C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172127992 808185725 /nfs/dbraw/zinc/18/57/25/808185725.db2.gz NDJWXCGDPKMANU-MUJYYYPQSA-N 2 1 286.419 3.026 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]1c1ccccc1)C2 ZINC001172127196 808186829 /nfs/dbraw/zinc/18/68/29/808186829.db2.gz HKQPHVDTWLWEEY-MHORFTMASA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]1c1ccccc1)C2 ZINC001172127196 808186831 /nfs/dbraw/zinc/18/68/31/808186831.db2.gz HKQPHVDTWLWEEY-MHORFTMASA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H]1c1ccccc1)C2 ZINC001172127196 808186835 /nfs/dbraw/zinc/18/68/35/808186835.db2.gz HKQPHVDTWLWEEY-MHORFTMASA-N 2 1 270.420 3.449 20 0 CGADMP COCCC[NH+]1CCC([N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC001172257647 808209588 /nfs/dbraw/zinc/20/95/88/808209588.db2.gz QEODGHCJEVEXAN-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP COCCC[NH+]1CCC([N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001172257647 808209592 /nfs/dbraw/zinc/20/95/92/808209592.db2.gz QEODGHCJEVEXAN-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001172346502 808245727 /nfs/dbraw/zinc/24/57/27/808245727.db2.gz CLASFPXHEWFMRW-QAETUUGQSA-N 2 1 284.488 3.289 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C[C@H]1C ZINC001172360864 808255239 /nfs/dbraw/zinc/25/52/39/808255239.db2.gz XVEIBVQKICXYBT-SUJAAXHWSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[NH+](CC[NH2+]C1CCC2(CCOCC2)CC1)C(C)C ZINC001173037252 808496653 /nfs/dbraw/zinc/49/66/53/808496653.db2.gz HJNZUZBTEFQFKJ-UHFFFAOYSA-N 2 1 296.499 3.434 20 0 CGADMP CCCOC1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001173090680 808505203 /nfs/dbraw/zinc/50/52/03/808505203.db2.gz FRZJOFCSPJYIEH-GTPINHCMSA-N 2 1 282.472 3.046 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC(C)(C)C[C@@]2(C)CO)CC1 ZINC001173110045 808511638 /nfs/dbraw/zinc/51/16/38/808511638.db2.gz NMUFOSBKWYNUJK-HTWSVDAQSA-N 2 1 296.499 3.122 20 0 CGADMP CCO[C@@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173112099 808513085 /nfs/dbraw/zinc/51/30/85/808513085.db2.gz QFGVOUMTNHQOEI-OFLPRAFFSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3cnc(C)cc3C2)CC1 ZINC001173113492 808513354 /nfs/dbraw/zinc/51/33/54/808513354.db2.gz QRYCIFJDNMCSFY-UHFFFAOYSA-N 2 1 287.451 3.359 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC2(CCCCC2)CC1 ZINC001173118198 808515057 /nfs/dbraw/zinc/51/50/57/808515057.db2.gz IQNOQYAUZWZMFL-CQSZACIVSA-N 2 1 252.446 3.406 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001173261017 808566743 /nfs/dbraw/zinc/56/67/43/808566743.db2.gz VZROYVGAVOECDL-IXDOHACOSA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001173261017 808566748 /nfs/dbraw/zinc/56/67/48/808566748.db2.gz VZROYVGAVOECDL-IXDOHACOSA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001173261017 808566752 /nfs/dbraw/zinc/56/67/52/808566752.db2.gz VZROYVGAVOECDL-IXDOHACOSA-N 2 1 266.473 3.475 20 0 CGADMP CCSC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173290594 808590973 /nfs/dbraw/zinc/59/09/73/808590973.db2.gz DYQBAHYFQKJKES-ZNMIVQPWSA-N 2 1 272.502 3.086 20 0 CGADMP CC[N@H+]1CC[C@H](n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)C1 ZINC001173373478 808633908 /nfs/dbraw/zinc/63/39/08/808633908.db2.gz XOVSUUZLWMJAGV-HOCLYGCPSA-N 2 1 298.434 3.118 20 0 CGADMP C[N@H+]1Cc2ccccc2C2(CC[NH+](C3CCCC3)CC2)C1 ZINC001275044410 808899990 /nfs/dbraw/zinc/89/99/90/808899990.db2.gz ARCXWLLTNVDGFA-UHFFFAOYSA-N 2 1 284.447 3.408 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CC3CCCCC3)CC2)C1 ZINC001275040176 808900021 /nfs/dbraw/zinc/90/00/21/808900021.db2.gz WGAJJMOFAZEEOG-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275051325 808902396 /nfs/dbraw/zinc/90/23/96/808902396.db2.gz WRJXTKBOKYGNFO-UHFFFAOYSA-N 2 1 289.467 3.349 20 0 CGADMP CCC(CC)C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001275072730 808903941 /nfs/dbraw/zinc/90/39/41/808903941.db2.gz QYTOICUYMZPBNS-MSOLQXFVSA-N 2 1 295.515 3.009 20 0 CGADMP CCC[C@@H](C)C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001275072078 808904237 /nfs/dbraw/zinc/90/42/37/808904237.db2.gz DVTQOXNOZNLVQF-KURKYZTESA-N 2 1 295.515 3.009 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275076896 808904865 /nfs/dbraw/zinc/90/48/65/808904865.db2.gz HFCIIWUUFCRKTA-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275076896 808904871 /nfs/dbraw/zinc/90/48/71/808904871.db2.gz HFCIIWUUFCRKTA-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275076896 808904876 /nfs/dbraw/zinc/90/48/76/808904876.db2.gz HFCIIWUUFCRKTA-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275117332 808911081 /nfs/dbraw/zinc/91/10/81/808911081.db2.gz AJHFYUMNONTYPV-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CCCC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275117332 808911084 /nfs/dbraw/zinc/91/10/84/808911084.db2.gz AJHFYUMNONTYPV-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3c1CCCC3)CC2 ZINC001275533734 808945920 /nfs/dbraw/zinc/94/59/20/808945920.db2.gz QBSVAZSZPBWPKE-UHFFFAOYSA-N 2 1 298.474 3.483 20 0 CGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC001275866783 808973018 /nfs/dbraw/zinc/97/30/18/808973018.db2.gz UAXJRTSGUHBFNW-HNNXBMFYSA-N 2 1 264.438 3.056 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC001275866783 808973022 /nfs/dbraw/zinc/97/30/22/808973022.db2.gz UAXJRTSGUHBFNW-HNNXBMFYSA-N 2 1 264.438 3.056 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC001275866783 808973027 /nfs/dbraw/zinc/97/30/27/808973027.db2.gz UAXJRTSGUHBFNW-HNNXBMFYSA-N 2 1 264.438 3.056 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC001275866783 808973031 /nfs/dbraw/zinc/97/30/31/808973031.db2.gz UAXJRTSGUHBFNW-HNNXBMFYSA-N 2 1 264.438 3.056 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1Cl ZINC001276000557 808983958 /nfs/dbraw/zinc/98/39/58/808983958.db2.gz BTOIESBUORBKLC-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1Cl ZINC001276000557 808983959 /nfs/dbraw/zinc/98/39/59/808983959.db2.gz BTOIESBUORBKLC-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1Cl ZINC001276000557 808983963 /nfs/dbraw/zinc/98/39/63/808983963.db2.gz BTOIESBUORBKLC-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3cc[nH]c3c1)CC2 ZINC001276054862 808986014 /nfs/dbraw/zinc/98/60/14/808986014.db2.gz PPQRHTBRELITSI-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276035608 808986583 /nfs/dbraw/zinc/98/65/83/808986583.db2.gz WYPZOBOORSMKTM-NVXWUHKLSA-N 2 1 284.447 3.122 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@H]2CC1 ZINC001276169900 808990388 /nfs/dbraw/zinc/99/03/88/808990388.db2.gz FPXMCCQQJOJSPJ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@H]2CC1 ZINC001276169900 808990392 /nfs/dbraw/zinc/99/03/92/808990392.db2.gz FPXMCCQQJOJSPJ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@H]2CC1 ZINC001276169900 808990396 /nfs/dbraw/zinc/99/03/96/808990396.db2.gz FPXMCCQQJOJSPJ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(F)c1 ZINC001276173957 808992194 /nfs/dbraw/zinc/99/21/94/808992194.db2.gz ILEPILGDRLEZPU-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP Cc1cc(F)c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(F)c1 ZINC001276173957 808992197 /nfs/dbraw/zinc/99/21/97/808992197.db2.gz ILEPILGDRLEZPU-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC(F)F)c1 ZINC001276217456 808993001 /nfs/dbraw/zinc/99/30/01/808993001.db2.gz IOCQXVFFFFRDFM-AGUYFDCRSA-N 2 1 296.361 3.003 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC(F)F)c1 ZINC001276217456 808993005 /nfs/dbraw/zinc/99/30/05/808993005.db2.gz IOCQXVFFFFRDFM-AGUYFDCRSA-N 2 1 296.361 3.003 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276527179 809013725 /nfs/dbraw/zinc/01/37/25/809013725.db2.gz IEZICJYEBFSSGU-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)CCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276527179 809013733 /nfs/dbraw/zinc/01/37/33/809013733.db2.gz IEZICJYEBFSSGU-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)CCC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276527179 809013739 /nfs/dbraw/zinc/01/37/39/809013739.db2.gz IEZICJYEBFSSGU-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCc1csc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)n1 ZINC001276687556 809024444 /nfs/dbraw/zinc/02/44/44/809024444.db2.gz QMGIVDLVBSUPJB-UHFFFAOYSA-N 2 1 293.480 3.013 20 0 CGADMP CCc1csc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)n1 ZINC001276687556 809024452 /nfs/dbraw/zinc/02/44/52/809024452.db2.gz QMGIVDLVBSUPJB-UHFFFAOYSA-N 2 1 293.480 3.013 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccnc3Cl)CC2)C1 ZINC001276806624 809033618 /nfs/dbraw/zinc/03/36/18/809033618.db2.gz PSGZATPOXNPBII-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C(C)(C)C)c[nH]1)CC2 ZINC001276882274 809040831 /nfs/dbraw/zinc/04/08/31/809040831.db2.gz OSIVVWBPACNYGY-UHFFFAOYSA-N 2 1 289.467 3.230 20 0 CGADMP CCSCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277916581 809104766 /nfs/dbraw/zinc/10/47/66/809104766.db2.gz KWIMGUOHEPRFJM-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP FCCCCN1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001278206007 809119604 /nfs/dbraw/zinc/11/96/04/809119604.db2.gz DFRCANDWPFKEGF-UHFFFAOYSA-N 2 1 296.352 3.086 20 0 CGADMP FCCCC[NH+]1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001278206007 809119606 /nfs/dbraw/zinc/11/96/06/809119606.db2.gz DFRCANDWPFKEGF-UHFFFAOYSA-N 2 1 296.352 3.086 20 0 CGADMP CCc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001176281859 809658798 /nfs/dbraw/zinc/65/87/98/809658798.db2.gz QMFCXYOKHXPISI-INIZCTEOSA-N 2 1 295.430 3.355 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2C)C1 ZINC001177487640 809801238 /nfs/dbraw/zinc/80/12/38/809801238.db2.gz IQZLNNFATGXNCO-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(CC(C)C)s2)C1 ZINC001177542647 809807073 /nfs/dbraw/zinc/80/70/73/809807073.db2.gz QPQJTWRQAXEHEF-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(CC(C)C)s2)C1 ZINC001177542647 809807080 /nfs/dbraw/zinc/80/70/80/809807080.db2.gz QPQJTWRQAXEHEF-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001177795047 809823017 /nfs/dbraw/zinc/82/30/17/809823017.db2.gz MNMJLIAUUXBQOD-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001177795047 809823023 /nfs/dbraw/zinc/82/30/23/809823023.db2.gz MNMJLIAUUXBQOD-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CNc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179924500 809958474 /nfs/dbraw/zinc/95/84/74/809958474.db2.gz INNOPPQWWVDCRT-VQIMIIECSA-N 2 1 299.462 3.177 20 0 CGADMP CNc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924500 809958476 /nfs/dbraw/zinc/95/84/76/809958476.db2.gz INNOPPQWWVDCRT-VQIMIIECSA-N 2 1 299.462 3.177 20 0 CGADMP CNc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179924500 809958479 /nfs/dbraw/zinc/95/84/79/809958479.db2.gz INNOPPQWWVDCRT-VQIMIIECSA-N 2 1 299.462 3.177 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001182309089 810103964 /nfs/dbraw/zinc/10/39/64/810103964.db2.gz MNQUIZUOHCRCFE-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC001182309089 810103968 /nfs/dbraw/zinc/10/39/68/810103968.db2.gz MNQUIZUOHCRCFE-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc(C[C@H]2C[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001184339730 810194144 /nfs/dbraw/zinc/19/41/44/810194144.db2.gz SARXQLXGDNMBRJ-IRXDYDNUSA-N 2 1 284.447 3.082 20 0 CGADMP Cc1cc(NC[C@H]2CCCC[N@H+](C)C2)nc(C2CCC2)n1 ZINC001187045920 810380843 /nfs/dbraw/zinc/38/08/43/810380843.db2.gz YNASEHJXBLGEAV-CQSZACIVSA-N 2 1 288.439 3.196 20 0 CGADMP C=C/C=C/CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001192917983 810828315 /nfs/dbraw/zinc/82/83/15/810828315.db2.gz IDOAFJWKCJNNTQ-VOTSOKGWSA-N 2 1 258.409 3.312 20 0 CGADMP CCC[C@@H](C)CCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC001192963381 810835883 /nfs/dbraw/zinc/83/58/83/810835883.db2.gz ABDZCPNNDWWMDC-QGZVFWFLSA-N 2 1 297.531 3.161 20 0 CGADMP CCO[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC001198942987 811552850 /nfs/dbraw/zinc/55/28/50/811552850.db2.gz MRIQCVZCIGWQRR-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001201646048 811930063 /nfs/dbraw/zinc/93/00/63/811930063.db2.gz PZIKYNKIIFTTCD-UHFFFAOYSA-N 2 1 260.425 3.240 20 0 CGADMP CCCCCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201746385 811956599 /nfs/dbraw/zinc/95/65/99/811956599.db2.gz FZMLDLICQASWHR-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201746385 811956602 /nfs/dbraw/zinc/95/66/02/811956602.db2.gz FZMLDLICQASWHR-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201746385 811956606 /nfs/dbraw/zinc/95/66/06/811956606.db2.gz FZMLDLICQASWHR-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201746385 811956608 /nfs/dbraw/zinc/95/66/08/811956608.db2.gz FZMLDLICQASWHR-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(OC)c2)CC1 ZINC001203823452 812470386 /nfs/dbraw/zinc/47/03/86/812470386.db2.gz GGXFUVHEYCFQMQ-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2)CC1 ZINC001203823452 812470390 /nfs/dbraw/zinc/47/03/90/812470390.db2.gz GGXFUVHEYCFQMQ-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001203922178 812493483 /nfs/dbraw/zinc/49/34/83/812493483.db2.gz MIBKFLIRBIRKQR-GASCZTMLSA-N 2 1 278.827 3.114 20 0 CGADMP Cc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001204070492 812540696 /nfs/dbraw/zinc/54/06/96/812540696.db2.gz NCLNQMVINXVUQT-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001204070492 812540701 /nfs/dbraw/zinc/54/07/01/812540701.db2.gz NCLNQMVINXVUQT-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001204070492 812540703 /nfs/dbraw/zinc/54/07/03/812540703.db2.gz NCLNQMVINXVUQT-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001204070492 812540706 /nfs/dbraw/zinc/54/07/06/812540706.db2.gz NCLNQMVINXVUQT-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc(C2CC2)s1 ZINC001204110904 812550477 /nfs/dbraw/zinc/55/04/77/812550477.db2.gz LRJJFQXTPGYBRB-LBPRGKRZSA-N 2 1 281.469 3.231 20 0 CGADMP CCC[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)[C@@H](C)CC ZINC001204629681 812695131 /nfs/dbraw/zinc/69/51/31/812695131.db2.gz GYKUUTFPOUNROL-INIZCTEOSA-N 2 1 289.467 3.107 20 0 CGADMP Cn1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2ccccc21 ZINC001204735016 812720210 /nfs/dbraw/zinc/72/02/10/812720210.db2.gz JCVISAVVUOSHEF-UHFFFAOYSA-N 2 1 297.446 3.144 20 0 CGADMP Cn1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc2ccccc21 ZINC001204735399 812720796 /nfs/dbraw/zinc/72/07/96/812720796.db2.gz SQXDTEVFTLTSGR-UHFFFAOYSA-N 2 1 297.446 3.144 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204763944 812729398 /nfs/dbraw/zinc/72/93/98/812729398.db2.gz UFINYOYPBKJAQU-ZBFHGGJFSA-N 2 1 270.461 3.031 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001204945621 812792130 /nfs/dbraw/zinc/79/21/30/812792130.db2.gz HUIAPEMTHKBHBR-QGZVFWFLSA-N 2 1 254.377 3.105 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001204945621 812792132 /nfs/dbraw/zinc/79/21/32/812792132.db2.gz HUIAPEMTHKBHBR-QGZVFWFLSA-N 2 1 254.377 3.105 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001205000234 812817205 /nfs/dbraw/zinc/81/72/05/812817205.db2.gz AYFNDXXNIIXVBI-QRTARXTBSA-N 2 1 292.854 3.375 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001205077610 812850206 /nfs/dbraw/zinc/85/02/06/812850206.db2.gz PURBBJJQDZETAL-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205094470 812860329 /nfs/dbraw/zinc/86/03/29/812860329.db2.gz MQJHLRHZGLAPLL-MRXNPFEDSA-N 2 1 276.424 3.179 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCCCCOCc2ccccc2)CC1 ZINC001205094990 812861021 /nfs/dbraw/zinc/86/10/21/812861021.db2.gz SNAMPPPPVBNMEY-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001205094888 812861559 /nfs/dbraw/zinc/86/15/59/812861559.db2.gz RIGPVUPMEOYGGD-LBPRGKRZSA-N 2 1 277.799 3.135 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001205116552 812872601 /nfs/dbraw/zinc/87/26/01/812872601.db2.gz CHJXDZNZOCGOIE-CQSZACIVSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001205116552 812872612 /nfs/dbraw/zinc/87/26/12/812872612.db2.gz CHJXDZNZOCGOIE-CQSZACIVSA-N 2 1 289.810 3.201 20 0 CGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124014 812876488 /nfs/dbraw/zinc/87/64/88/812876488.db2.gz ISRMKDXMCGGYCO-CYBMUJFWSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124014 812876496 /nfs/dbraw/zinc/87/64/96/812876496.db2.gz ISRMKDXMCGGYCO-CYBMUJFWSA-N 2 1 297.240 3.071 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2cnc3ccccc3c2Cl)CC1 ZINC001205124063 812876807 /nfs/dbraw/zinc/87/68/07/812876807.db2.gz JVKGUDFJWDEPMK-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2Cl)CC1 ZINC001205124063 812876820 /nfs/dbraw/zinc/87/68/20/812876820.db2.gz JVKGUDFJWDEPMK-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001205170721 812897566 /nfs/dbraw/zinc/89/75/66/812897566.db2.gz BVFMTHVUTSJUMX-QMTHXVAHSA-N 2 1 287.234 3.348 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001205170721 812897573 /nfs/dbraw/zinc/89/75/73/812897573.db2.gz BVFMTHVUTSJUMX-QMTHXVAHSA-N 2 1 287.234 3.348 20 0 CGADMP FC1(C[N@H+]2CCCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC001205171746 812898087 /nfs/dbraw/zinc/89/80/87/812898087.db2.gz WWLINLAKVYICFK-INIZCTEOSA-N 2 1 276.399 3.305 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001205263791 812920811 /nfs/dbraw/zinc/92/08/11/812920811.db2.gz CDAWJJXZAWVEBM-AWEZNQCLSA-N 2 1 252.789 3.043 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)ccc2n1 ZINC001205273120 812924355 /nfs/dbraw/zinc/92/43/55/812924355.db2.gz FLSJRPUDFGLPTD-GOSISDBHSA-N 2 1 283.419 3.247 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC001205288364 812931556 /nfs/dbraw/zinc/93/15/56/812931556.db2.gz JQLJPBFNDYLGJK-KRWDZBQOSA-N 2 1 287.382 3.077 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001205288982 812932794 /nfs/dbraw/zinc/93/27/94/812932794.db2.gz QVZGNQNEJXYYRD-QGZVFWFLSA-N 2 1 285.391 3.045 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1SC ZINC001205297078 812937623 /nfs/dbraw/zinc/93/76/23/812937623.db2.gz YNRHDTIVVKMXCK-INIZCTEOSA-N 2 1 294.464 3.120 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C(C)C ZINC001205303839 812941713 /nfs/dbraw/zinc/94/17/13/812941713.db2.gz LLIREUZDHGHNQO-ZBFHGGJFSA-N 2 1 290.451 3.235 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205304774 812943229 /nfs/dbraw/zinc/94/32/29/812943229.db2.gz PQCPWYXKVZPGAL-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205304774 812943234 /nfs/dbraw/zinc/94/32/34/812943234.db2.gz PQCPWYXKVZPGAL-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205315424 812947474 /nfs/dbraw/zinc/94/74/74/812947474.db2.gz GQNDVSNMKCZRFE-VXGBXAGGSA-N 2 1 298.883 3.479 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205315424 812947476 /nfs/dbraw/zinc/94/74/76/812947476.db2.gz GQNDVSNMKCZRFE-VXGBXAGGSA-N 2 1 298.883 3.479 20 0 CGADMP CC1(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)CCCCC1 ZINC001205545483 812999025 /nfs/dbraw/zinc/99/90/25/812999025.db2.gz HZPKACUDPJSRIX-HNNXBMFYSA-N 2 1 256.409 3.110 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205546901 812999412 /nfs/dbraw/zinc/99/94/12/812999412.db2.gz ZGVQVDSKXSBSQB-KRWDZBQOSA-N 2 1 294.414 3.128 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001205546772 813000444 /nfs/dbraw/zinc/00/04/44/813000444.db2.gz YQVRZEKTMPHJNT-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)CC[C@H]1C[NH3+] ZINC001205601962 813018033 /nfs/dbraw/zinc/01/80/33/813018033.db2.gz HEROAGWYNRFSMC-HOCLYGCPSA-N 2 1 299.418 3.148 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602558 813020152 /nfs/dbraw/zinc/02/01/52/813020152.db2.gz JPQWJEJWCKFOAZ-DZGCQCFKSA-N 2 1 285.435 3.283 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(C)c1C ZINC001205605366 813021138 /nfs/dbraw/zinc/02/11/38/813021138.db2.gz ZZKQKJQAEHLSAO-CJNGLKHVSA-N 2 1 290.451 3.119 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618497 813027926 /nfs/dbraw/zinc/02/79/26/813027926.db2.gz WPPUOWUWXRPQJF-JKSUJKDBSA-N 2 1 290.451 3.281 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c21 ZINC001205618579 813028397 /nfs/dbraw/zinc/02/83/97/813028397.db2.gz XHZNIZBERUQSJV-HIFRSBDPSA-N 2 1 285.435 3.283 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c21 ZINC001205618580 813029578 /nfs/dbraw/zinc/02/95/78/813029578.db2.gz XHZNIZBERUQSJV-UKRRQHHQSA-N 2 1 285.435 3.283 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c[nH]c2c1 ZINC001205618946 813030110 /nfs/dbraw/zinc/03/01/10/813030110.db2.gz ZKXKXHLLGPNXCF-LSDHHAIUSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2C(F)F)CC[C@@H]1C[NH3+] ZINC001205626711 813032563 /nfs/dbraw/zinc/03/25/63/813032563.db2.gz IHWZWSJLAFIFOQ-QWHCGFSZSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2C(F)F)CC[C@H]1C[NH3+] ZINC001205626712 813032862 /nfs/dbraw/zinc/03/28/62/813032862.db2.gz IHWZWSJLAFIFOQ-STQMWFEESA-N 2 1 282.378 3.431 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205625275 813032883 /nfs/dbraw/zinc/03/28/83/813032883.db2.gz ASRBLNPMNFTWEH-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@H]1C[NH3+] ZINC001205628460 813034142 /nfs/dbraw/zinc/03/41/42/813034142.db2.gz VGJWHGDHRDMXTL-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP CSc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205636070 813035597 /nfs/dbraw/zinc/03/55/97/813035597.db2.gz CACWFNXRRLOSQV-KBPBESRZSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)CC[C@H]1C[NH3+] ZINC001205638479 813035755 /nfs/dbraw/zinc/03/57/55/813035755.db2.gz OKOUQKOUJXXLCM-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)CC[C@H]1C[NH3+] ZINC001205637715 813037141 /nfs/dbraw/zinc/03/71/41/813037141.db2.gz IIALYGLWDJETRP-MNOVXSKESA-N 2 1 272.845 3.208 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC001205639154 813037350 /nfs/dbraw/zinc/03/73/50/813037350.db2.gz WNMRNQPRIOHENN-HOCLYGCPSA-N 2 1 299.418 3.148 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCCC3)CC[C@@H]1C[NH3+] ZINC001205639113 813037698 /nfs/dbraw/zinc/03/76/98/813037698.db2.gz VXQZHQRRZPXNMO-NVXWUHKLSA-N 2 1 286.463 3.372 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC[C@@H]1C[NH3+] ZINC001205651158 813042588 /nfs/dbraw/zinc/04/25/88/813042588.db2.gz AQQZONVKWJBVDO-GOEBONIOSA-N 2 1 299.418 3.148 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2csc3ccccc23)CCC1(F)F ZINC001205772131 813072979 /nfs/dbraw/zinc/07/29/79/813072979.db2.gz XYGYNNVVWGYFGM-GFCCVEGCSA-N 2 1 296.386 3.317 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CCC1(F)F ZINC001205772131 813072990 /nfs/dbraw/zinc/07/29/90/813072990.db2.gz XYGYNNVVWGYFGM-GFCCVEGCSA-N 2 1 296.386 3.317 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205803312 813082479 /nfs/dbraw/zinc/08/24/79/813082479.db2.gz FYPGHMBUVQRKTR-UKRRQHHQSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205803312 813082488 /nfs/dbraw/zinc/08/24/88/813082488.db2.gz FYPGHMBUVQRKTR-UKRRQHHQSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])o1 ZINC001205806847 813088629 /nfs/dbraw/zinc/08/86/29/813088629.db2.gz WGDJLOIWDYZLBM-NFAWXSAZSA-N 2 1 264.413 3.141 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])o1 ZINC001205806847 813088639 /nfs/dbraw/zinc/08/86/39/813088639.db2.gz WGDJLOIWDYZLBM-NFAWXSAZSA-N 2 1 264.413 3.141 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001205863208 813112915 /nfs/dbraw/zinc/11/29/15/813112915.db2.gz JIBJLVKADOHOOB-XTBFLFJDSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001205863208 813112921 /nfs/dbraw/zinc/11/29/21/813112921.db2.gz JIBJLVKADOHOOB-XTBFLFJDSA-N 2 1 278.827 3.113 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901571 813122311 /nfs/dbraw/zinc/12/23/11/813122311.db2.gz DGCMZPDMDJUUDB-HUUCEWRRSA-N 2 1 285.435 3.220 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205901762 813125239 /nfs/dbraw/zinc/12/52/39/813125239.db2.gz GAZRHDWGWMUIPS-WBVHZDCISA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2c1cccc2Cl ZINC001205904446 813126156 /nfs/dbraw/zinc/12/61/56/813126156.db2.gz VGDXRNKZRHVFDL-VXGBXAGGSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205904380 813126469 /nfs/dbraw/zinc/12/64/69/813126469.db2.gz URZXUCKKWLENRF-ZIAGYGMSSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cncc(-c2ccccc2)c1 ZINC001205912436 813129285 /nfs/dbraw/zinc/12/92/85/813129285.db2.gz AKCIQWJCBLEQPX-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912767 813129616 /nfs/dbraw/zinc/12/96/16/813129616.db2.gz CDKUTEUBTKNVTG-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c2ccoc21 ZINC001205914083 813131281 /nfs/dbraw/zinc/13/12/81/813131281.db2.gz KXESHPSYLZDMNG-RYUDHWBXSA-N 2 1 276.355 3.131 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccn1Cc1ccccc1 ZINC001205915539 813131289 /nfs/dbraw/zinc/13/12/89/813131289.db2.gz PNMFLHNPBDZOPV-FUHWJXTLSA-N 2 1 297.446 3.096 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1OC(C)C ZINC001205915810 813131394 /nfs/dbraw/zinc/13/13/94/813131394.db2.gz QPYDGPKZWOJQTG-WBVHZDCISA-N 2 1 290.451 3.341 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923901 813135253 /nfs/dbraw/zinc/13/52/53/813135253.db2.gz PWWQPNLVFVJKRY-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923901 813135258 /nfs/dbraw/zinc/13/52/58/813135258.db2.gz PWWQPNLVFVJKRY-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205925647 813136854 /nfs/dbraw/zinc/13/68/54/813136854.db2.gz XTUXRHUJOFDOCZ-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205932993 813139219 /nfs/dbraw/zinc/13/92/19/813139219.db2.gz VCKDGNFTAGUELW-QGZVFWFLSA-N 2 1 260.425 3.342 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205932993 813139222 /nfs/dbraw/zinc/13/92/22/813139222.db2.gz VCKDGNFTAGUELW-QGZVFWFLSA-N 2 1 260.425 3.342 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC001205994107 813154806 /nfs/dbraw/zinc/15/48/06/813154806.db2.gz JHVWAHJXNNORJQ-CVEARBPZSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CCC[C@H]1C[NH3+] ZINC001205995898 813156572 /nfs/dbraw/zinc/15/65/72/813156572.db2.gz RPWXWMHTQVJPOI-YPMHNXCESA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)CCC[C@@H]1C[NH3+] ZINC001205996170 813157354 /nfs/dbraw/zinc/15/73/54/813157354.db2.gz VQCKBDVUEIZYHO-WDEREUQCSA-N 2 1 272.845 3.208 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206004012 813161410 /nfs/dbraw/zinc/16/14/10/813161410.db2.gz OTMTZRUDUXZQOJ-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C(F)F)CCC[C@@H]1C[NH3+] ZINC001206005982 813162120 /nfs/dbraw/zinc/16/21/20/813162120.db2.gz ZUMNQMFVZXSRQC-CHWSQXEVSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206004799 813162477 /nfs/dbraw/zinc/16/24/77/813162477.db2.gz VPFCYLDVLZMGEN-AAEUAGOBSA-N 2 1 284.806 3.286 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206004957 813162566 /nfs/dbraw/zinc/16/25/66/813162566.db2.gz VUJADZJBUNAVLQ-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206012267 813165188 /nfs/dbraw/zinc/16/51/88/813165188.db2.gz JLZIJISNLMLRHO-QAPCUYQASA-N 2 1 274.452 3.446 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCCC3)CCC[C@H]1C[NH3+] ZINC001206012736 813165458 /nfs/dbraw/zinc/16/54/58/813165458.db2.gz NJIYPPJLEIIDKN-WBVHZDCISA-N 2 1 286.463 3.372 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccnc(C(C)(C)C)c2)CCC[C@H]1C[NH3+] ZINC001206014059 813166293 /nfs/dbraw/zinc/16/62/93/813166293.db2.gz VUOXCYIXKYMOKB-HOCLYGCPSA-N 2 1 289.467 3.186 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206014870 813166557 /nfs/dbraw/zinc/16/65/57/813166557.db2.gz YIIMVSJMLODLPV-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206035156 813175567 /nfs/dbraw/zinc/17/55/67/813175567.db2.gz BWPJPXJLIUQOOX-JKSUJKDBSA-N 2 1 290.451 3.201 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206036833 813175712 /nfs/dbraw/zinc/17/57/12/813175712.db2.gz RGFDXLMQDFHHAT-CVEARBPZSA-N 2 1 290.451 3.201 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)CC[C@@H]1F ZINC001206157530 813218038 /nfs/dbraw/zinc/21/80/38/813218038.db2.gz ZMZOXDMQCQOTSF-DLBZAZTESA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1F ZINC001206157530 813218040 /nfs/dbraw/zinc/21/80/40/813218040.db2.gz ZMZOXDMQCQOTSF-DLBZAZTESA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3ccc(Cl)cc23)CC[C@@H]1F ZINC001206165795 813222137 /nfs/dbraw/zinc/22/21/37/813222137.db2.gz OUWJAJWLMNOVCS-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC[C@@H]1F ZINC001206165795 813222142 /nfs/dbraw/zinc/22/21/42/813222142.db2.gz OUWJAJWLMNOVCS-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206183083 813230755 /nfs/dbraw/zinc/23/07/55/813230755.db2.gz FLOWDJGUAOYGPO-DLBZAZTESA-N 2 1 278.415 3.146 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206183198 813230908 /nfs/dbraw/zinc/23/09/08/813230908.db2.gz GCAUHYVJATWDQD-JKSUJKDBSA-N 2 1 264.388 3.071 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206183198 813230911 /nfs/dbraw/zinc/23/09/11/813230911.db2.gz GCAUHYVJATWDQD-JKSUJKDBSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001206276110 813267276 /nfs/dbraw/zinc/26/72/76/813267276.db2.gz BZPMINYWKXIABL-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001206276110 813267283 /nfs/dbraw/zinc/26/72/83/813267283.db2.gz BZPMINYWKXIABL-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3ccccc23)CC1 ZINC001206296251 813276126 /nfs/dbraw/zinc/27/61/26/813276126.db2.gz QSMBOCATHBBNNW-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC001206304215 813279699 /nfs/dbraw/zinc/27/96/99/813279699.db2.gz HOCZCPDZIOKTKQ-OAHLLOKOSA-N 2 1 286.341 3.055 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC001206304259 813280707 /nfs/dbraw/zinc/28/07/07/813280707.db2.gz IPRUFMRHXFPYLG-OAHLLOKOSA-N 2 1 286.341 3.055 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC001206304494 813281350 /nfs/dbraw/zinc/28/13/50/813281350.db2.gz LKQRBFVFEKTBIM-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206305240 813281644 /nfs/dbraw/zinc/28/16/44/813281644.db2.gz WYIANZIHYPVGLU-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c[nH]c21 ZINC001206304868 813281867 /nfs/dbraw/zinc/28/18/67/813281867.db2.gz QAYRDVZVTYKSNV-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001206304787 813282408 /nfs/dbraw/zinc/28/24/08/813282408.db2.gz PQIYQEXPHMSPAM-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001206311339 813284477 /nfs/dbraw/zinc/28/44/77/813284477.db2.gz MTZQNIWYBMNIFV-GOSISDBHSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001206311339 813284482 /nfs/dbraw/zinc/28/44/82/813284482.db2.gz MTZQNIWYBMNIFV-GOSISDBHSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001206311339 813284487 /nfs/dbraw/zinc/28/44/87/813284487.db2.gz MTZQNIWYBMNIFV-GOSISDBHSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2-n2cccc2)CC1 ZINC001206319165 813286741 /nfs/dbraw/zinc/28/67/41/813286741.db2.gz YVTCWWBHJCILHX-LJQANCHMSA-N 2 1 297.446 3.428 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001206318109 813287755 /nfs/dbraw/zinc/28/77/55/813287755.db2.gz MNXWNSPSRZMRME-GOSISDBHSA-N 2 1 299.418 3.293 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)cc3ccccc32)CC1 ZINC001206326563 813290691 /nfs/dbraw/zinc/29/06/91/813290691.db2.gz PFPYXTVDOZYRML-IBGZPJMESA-N 2 1 298.430 3.496 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001206336112 813294461 /nfs/dbraw/zinc/29/44/61/813294461.db2.gz JZDRJTOYXBOGPS-XHSDSOJGSA-N 2 1 268.420 3.132 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001206336112 813294465 /nfs/dbraw/zinc/29/44/65/813294465.db2.gz JZDRJTOYXBOGPS-XHSDSOJGSA-N 2 1 268.420 3.132 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001206500308 813337100 /nfs/dbraw/zinc/33/71/00/813337100.db2.gz LGBRWCVXYDYQPX-UHFFFAOYSA-N 2 1 288.769 3.179 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001206549364 813348025 /nfs/dbraw/zinc/34/80/25/813348025.db2.gz LYTPWPPRGOCUJA-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001206549824 813349820 /nfs/dbraw/zinc/34/98/20/813349820.db2.gz QFOPSPOULURZGY-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001206549824 813349827 /nfs/dbraw/zinc/34/98/27/813349827.db2.gz QFOPSPOULURZGY-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206563244 813354897 /nfs/dbraw/zinc/35/48/97/813354897.db2.gz AGCWEPSHQZPGER-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206563244 813354903 /nfs/dbraw/zinc/35/49/03/813354903.db2.gz AGCWEPSHQZPGER-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)cc1F ZINC001206563871 813355047 /nfs/dbraw/zinc/35/50/47/813355047.db2.gz JIMHAJNXLAEFHR-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)cc1F ZINC001206563871 813355055 /nfs/dbraw/zinc/35/50/55/813355055.db2.gz JIMHAJNXLAEFHR-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563245 813355222 /nfs/dbraw/zinc/35/52/22/813355222.db2.gz AGCWEPSHQZPGER-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563245 813355228 /nfs/dbraw/zinc/35/52/28/813355228.db2.gz AGCWEPSHQZPGER-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)ccc(F)c1F ZINC001206575825 813358738 /nfs/dbraw/zinc/35/87/38/813358738.db2.gz ZKMNITONMKXYTD-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc(F)c1F ZINC001206575825 813358743 /nfs/dbraw/zinc/35/87/43/813358743.db2.gz ZKMNITONMKXYTD-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001206622476 813377107 /nfs/dbraw/zinc/37/71/07/813377107.db2.gz CMEVNDSHEHGPNQ-KRWDZBQOSA-N 2 1 295.430 3.309 20 0 CGADMP CCCc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206624224 813378852 /nfs/dbraw/zinc/37/88/52/813378852.db2.gz REXTXYLHDVCDMQ-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001206641523 813383462 /nfs/dbraw/zinc/38/34/62/813383462.db2.gz YMUIBRQBVGMFPY-AWEZNQCLSA-N 2 1 284.403 3.106 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC001206647170 813385580 /nfs/dbraw/zinc/38/55/80/813385580.db2.gz GENIQIXAPPFMLR-CYBMUJFWSA-N 2 1 296.842 3.300 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC001206647170 813385592 /nfs/dbraw/zinc/38/55/92/813385592.db2.gz GENIQIXAPPFMLR-CYBMUJFWSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cccc(C[NH+](C)C)c1 ZINC001206736521 813412940 /nfs/dbraw/zinc/41/29/40/813412940.db2.gz IJTIZEUYCPVXNM-UHFFFAOYSA-N 2 1 284.407 3.261 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(CC[NH+](C)C)cc1 ZINC001206748491 813418433 /nfs/dbraw/zinc/41/84/33/813418433.db2.gz IZJXRFMVUYNSFQ-UHFFFAOYSA-N 2 1 298.434 3.304 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1ccccc1Cl ZINC001206760473 813425379 /nfs/dbraw/zinc/42/53/79/813425379.db2.gz HHRDHBUZVUCFAD-KBPBESRZSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1cccc(Cl)c1 ZINC001206760305 813425581 /nfs/dbraw/zinc/42/55/81/813425581.db2.gz COLJUKLMVDBJCQ-UKRRQHHQSA-N 2 1 280.843 3.332 20 0 CGADMP CCCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206767373 813429358 /nfs/dbraw/zinc/42/93/58/813429358.db2.gz ABDGKSSDVRJDMD-DOTOQJQBSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cncc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001207156784 813500429 /nfs/dbraw/zinc/50/04/29/813500429.db2.gz HUXWOQPMXYQUOM-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cncc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001207156784 813500432 /nfs/dbraw/zinc/50/04/32/813500432.db2.gz HUXWOQPMXYQUOM-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001207282860 813534667 /nfs/dbraw/zinc/53/46/67/813534667.db2.gz WSYKDXCZNUKBOZ-KRWDZBQOSA-N 2 1 274.452 3.454 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001207283681 813534884 /nfs/dbraw/zinc/53/48/84/813534884.db2.gz CQXDJKPOXUKOKN-KRWDZBQOSA-N 2 1 292.442 3.420 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC1CCC(F)(F)CC1 ZINC001207349680 813546276 /nfs/dbraw/zinc/54/62/76/813546276.db2.gz SRKVFWHTKGRAMU-UHFFFAOYSA-N 2 1 262.388 3.086 20 0 CGADMP c1ccc(C[N@@H+](Cc2ccncc2)CC2CC[NH2+]CC2)cc1 ZINC001207436306 813565627 /nfs/dbraw/zinc/56/56/27/813565627.db2.gz BTAWWEHEEBGKED-UHFFFAOYSA-N 2 1 295.430 3.083 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001208106935 813692478 /nfs/dbraw/zinc/69/24/78/813692478.db2.gz LQDXXYNEJSTPLX-KRWDZBQOSA-N 2 1 287.451 3.341 20 0 CGADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)Cc2ccccc21 ZINC001208106941 813693694 /nfs/dbraw/zinc/69/36/94/813693694.db2.gz HOYDYJWGYNZCMG-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)CC1(C)CC[NH+](C)CC1 ZINC001208110414 813694258 /nfs/dbraw/zinc/69/42/58/813694258.db2.gz ZXCKSGUSYLLUDE-UHFFFAOYSA-N 2 1 289.467 3.068 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001208110975 813694802 /nfs/dbraw/zinc/69/48/02/813694802.db2.gz ANCPFQZRNSQSHX-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208169421 813723429 /nfs/dbraw/zinc/72/34/29/813723429.db2.gz PGTHYVJIXKNYOD-HOTGVXAUSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208174356 813727276 /nfs/dbraw/zinc/72/72/76/813727276.db2.gz JYTQKDCKJXENFS-HZPDHXFCSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208174356 813727280 /nfs/dbraw/zinc/72/72/80/813727280.db2.gz JYTQKDCKJXENFS-HZPDHXFCSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2OC)CC1 ZINC001208601942 813771471 /nfs/dbraw/zinc/77/14/71/813771471.db2.gz UFFOHMRLEIIQTC-HNNXBMFYSA-N 2 1 290.451 3.420 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)cc2F)CC1 ZINC001208600949 813771761 /nfs/dbraw/zinc/77/17/61/813771761.db2.gz HAFMKBXKXSEKJZ-UHFFFAOYSA-N 2 1 282.378 3.129 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606946 813773135 /nfs/dbraw/zinc/77/31/35/813773135.db2.gz JNLAGBAQLQUTEA-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606946 813773140 /nfs/dbraw/zinc/77/31/40/813773140.db2.gz JNLAGBAQLQUTEA-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606946 813773144 /nfs/dbraw/zinc/77/31/44/813773144.db2.gz JNLAGBAQLQUTEA-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606946 813773148 /nfs/dbraw/zinc/77/31/48/813773148.db2.gz JNLAGBAQLQUTEA-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208607353 813774417 /nfs/dbraw/zinc/77/44/17/813774417.db2.gz MEGZHAWXUPMULP-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208607353 813774422 /nfs/dbraw/zinc/77/44/22/813774422.db2.gz MEGZHAWXUPMULP-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208607353 813774426 /nfs/dbraw/zinc/77/44/26/813774426.db2.gz MEGZHAWXUPMULP-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208607353 813774430 /nfs/dbraw/zinc/77/44/30/813774430.db2.gz MEGZHAWXUPMULP-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001208612671 813774601 /nfs/dbraw/zinc/77/46/01/813774601.db2.gz NAHJQOAORAAEQN-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001208612671 813774605 /nfs/dbraw/zinc/77/46/05/813774605.db2.gz NAHJQOAORAAEQN-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001208612671 813774610 /nfs/dbraw/zinc/77/46/10/813774610.db2.gz NAHJQOAORAAEQN-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208607068 813775841 /nfs/dbraw/zinc/77/58/41/813775841.db2.gz ILYZZILVSAWXKB-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208607068 813775844 /nfs/dbraw/zinc/77/58/44/813775844.db2.gz ILYZZILVSAWXKB-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208607068 813775849 /nfs/dbraw/zinc/77/58/49/813775849.db2.gz ILYZZILVSAWXKB-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208607068 813775852 /nfs/dbraw/zinc/77/58/52/813775852.db2.gz ILYZZILVSAWXKB-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP CCC(=O)C(C)(C)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208917105 813900049 /nfs/dbraw/zinc/90/00/49/813900049.db2.gz SDGTWSUQDQWMDH-UHFFFAOYSA-N 2 1 282.472 3.044 20 0 CGADMP CCC(=O)C(C)(C)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001208919822 813900090 /nfs/dbraw/zinc/90/00/90/813900090.db2.gz FGJHRQNTODMTIW-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP CCC(=O)C(C)(C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001208919822 813900094 /nfs/dbraw/zinc/90/00/94/813900094.db2.gz FGJHRQNTODMTIW-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP CCC(=O)C(C)(C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208919822 813900098 /nfs/dbraw/zinc/90/00/98/813900098.db2.gz FGJHRQNTODMTIW-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP CCC(=O)C(C)(C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001208919822 813900102 /nfs/dbraw/zinc/90/01/02/813900102.db2.gz FGJHRQNTODMTIW-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930418 813903539 /nfs/dbraw/zinc/90/35/39/813903539.db2.gz BDEWQYIMWPPXLI-BPQIPLTHSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930418 813903545 /nfs/dbraw/zinc/90/35/45/813903545.db2.gz BDEWQYIMWPPXLI-BPQIPLTHSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@@H](F)C[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930418 813903550 /nfs/dbraw/zinc/90/35/50/813903550.db2.gz BDEWQYIMWPPXLI-BPQIPLTHSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@@H](F)C[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930418 813903553 /nfs/dbraw/zinc/90/35/53/813903553.db2.gz BDEWQYIMWPPXLI-BPQIPLTHSA-N 2 1 290.426 3.331 20 0 CGADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952996 813910920 /nfs/dbraw/zinc/91/09/20/813910920.db2.gz NHTQCOZEBURAMT-ZWKOTPCHSA-N 2 1 286.463 3.486 20 0 CGADMP C[NH+](C[C@H]1CC1(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952996 813910924 /nfs/dbraw/zinc/91/09/24/813910924.db2.gz NHTQCOZEBURAMT-ZWKOTPCHSA-N 2 1 286.463 3.486 20 0 CGADMP C[NH+](C[C@H]1CC1(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952996 813910927 /nfs/dbraw/zinc/91/09/27/813910927.db2.gz NHTQCOZEBURAMT-ZWKOTPCHSA-N 2 1 286.463 3.486 20 0 CGADMP FC1CC[NH+](C2CC[NH+](CCc3cccs3)CC2)CC1 ZINC001209226750 813974699 /nfs/dbraw/zinc/97/46/99/813974699.db2.gz DBQJRBJATCIHSM-UHFFFAOYSA-N 2 1 296.455 3.189 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235375 813978056 /nfs/dbraw/zinc/97/80/56/813978056.db2.gz OVLWTJVXSKPVHO-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209429202 814030743 /nfs/dbraw/zinc/03/07/43/814030743.db2.gz VRXPEAFUEATVII-CABCVRRESA-N 2 1 264.457 3.371 20 0 CGADMP C[N@H+](CC/C=C/c1cccnc1)CCC[NH+]1CCCCC1 ZINC001209452689 814048423 /nfs/dbraw/zinc/04/84/23/814048423.db2.gz RRTSJAKZIBOLEJ-YCRREMRBSA-N 2 1 287.451 3.293 20 0 CGADMP CN(C)c1cc[nH+]cc1Nc1ccc2c[nH+]ccc2c1 ZINC001210044823 814262228 /nfs/dbraw/zinc/26/22/28/814262228.db2.gz FNUNNRVFDJEXLY-UHFFFAOYSA-N 2 1 264.332 3.439 20 0 CGADMP Cc1ccc(-c2ccc(C[NH+]3CC(C[NH3+])C3)cc2)cc1 ZINC001210542889 814517900 /nfs/dbraw/zinc/51/79/00/814517900.db2.gz CIWTYDVCWJQRFS-UHFFFAOYSA-N 2 1 266.388 3.053 20 0 CGADMP C[NH2+]Cc1cccc(Nc2c(C)cc[nH+]c2C)c1F ZINC001216220081 815741427 /nfs/dbraw/zinc/74/14/27/815741427.db2.gz HPIGMEIPSNZGLI-UHFFFAOYSA-N 2 1 259.328 3.301 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222147911 816359965 /nfs/dbraw/zinc/35/99/65/816359965.db2.gz FANHKUPTIICXKW-IBGZPJMESA-N 2 1 295.430 3.053 20 0 CGADMP C(C1CCSCC1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153898 816360717 /nfs/dbraw/zinc/36/07/17/816360717.db2.gz CGKYQCQYKFOQIM-QGZVFWFLSA-N 2 1 296.524 3.375 20 0 CGADMP CC1(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCOCC1 ZINC001222154271 816361585 /nfs/dbraw/zinc/36/15/85/816361585.db2.gz JLCJZLHBUDKYNM-SFHVURJKSA-N 2 1 294.483 3.049 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154914 816362504 /nfs/dbraw/zinc/36/25/04/816362504.db2.gz SQLIJCRHAXJRDX-QGZVFWFLSA-N 2 1 276.399 3.018 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)C(F)(F)F ZINC001222160028 816364880 /nfs/dbraw/zinc/36/48/80/816364880.db2.gz CGHREIISQKYCQK-KGLIPLIRSA-N 2 1 292.389 3.431 20 0 CGADMP Nc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167748 816367722 /nfs/dbraw/zinc/36/77/22/816367722.db2.gz QBLGTGPCBATONF-GOSISDBHSA-N 2 1 287.451 3.015 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181746 816369472 /nfs/dbraw/zinc/36/94/72/816369472.db2.gz XMCPNJCQFOJOLU-ARJAWSKDSA-N 2 1 294.483 3.358 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231098 816379010 /nfs/dbraw/zinc/37/90/10/816379010.db2.gz JBLJOGHPAWTRNN-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001222231859 816380353 /nfs/dbraw/zinc/38/03/53/816380353.db2.gz QCGMNMFGHMSBAG-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(C)s1 ZINC001222242663 816384560 /nfs/dbraw/zinc/38/45/60/816384560.db2.gz GICYBJWHNALRFJ-HNNXBMFYSA-N 2 1 264.438 3.083 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(C)s1 ZINC001222242663 816384565 /nfs/dbraw/zinc/38/45/65/816384565.db2.gz GICYBJWHNALRFJ-HNNXBMFYSA-N 2 1 264.438 3.083 20 0 CGADMP CCc1cccc2c(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001222242110 816385157 /nfs/dbraw/zinc/38/51/57/816385157.db2.gz ALLCSFAHMNKBDA-IBGZPJMESA-N 2 1 297.446 3.448 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001222242110 816385162 /nfs/dbraw/zinc/38/51/62/816385162.db2.gz ALLCSFAHMNKBDA-IBGZPJMESA-N 2 1 297.446 3.448 20 0 CGADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308627 816403875 /nfs/dbraw/zinc/40/38/75/816403875.db2.gz KTMREZSNHQXDSE-QGZVFWFLSA-N 2 1 294.389 3.115 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309677 816405178 /nfs/dbraw/zinc/40/51/78/816405178.db2.gz PIVMFXZUXZZOFT-GOSISDBHSA-N 2 1 288.435 3.193 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(C)c1 ZINC001222315251 816406232 /nfs/dbraw/zinc/40/62/32/816406232.db2.gz LTOFUZOKEKNSEO-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc(F)c1F ZINC001222316738 816407208 /nfs/dbraw/zinc/40/72/08/816407208.db2.gz XQUGXBFSRYUIDH-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc(F)c1F ZINC001222316738 816407213 /nfs/dbraw/zinc/40/72/13/816407213.db2.gz XQUGXBFSRYUIDH-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1F ZINC001222315839 816407237 /nfs/dbraw/zinc/40/72/37/816407237.db2.gz PKHULPAHFHDOIB-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1F ZINC001222315839 816407241 /nfs/dbraw/zinc/40/72/41/816407241.db2.gz PKHULPAHFHDOIB-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1 ZINC001222320564 816408931 /nfs/dbraw/zinc/40/89/31/816408931.db2.gz KEGXBKNMVGOWLY-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1 ZINC001222320564 816408935 /nfs/dbraw/zinc/40/89/35/816408935.db2.gz KEGXBKNMVGOWLY-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346818 816415057 /nfs/dbraw/zinc/41/50/57/816415057.db2.gz TWOIVNIBPBMHBQ-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346818 816415060 /nfs/dbraw/zinc/41/50/60/816415060.db2.gz TWOIVNIBPBMHBQ-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)[nH]1 ZINC001222385411 816426456 /nfs/dbraw/zinc/42/64/56/816426456.db2.gz MLLRCOVIKVAEAB-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)[nH]1 ZINC001222385411 816426461 /nfs/dbraw/zinc/42/64/61/816426461.db2.gz MLLRCOVIKVAEAB-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP CCC[C@@H](C)C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595906 816475105 /nfs/dbraw/zinc/47/51/05/816475105.db2.gz LNGINEPVAMJBAC-NVXWUHKLSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21)CC(C)(C)C ZINC001222615997 816479138 /nfs/dbraw/zinc/47/91/38/816479138.db2.gz VDJDYSGKBAFVSP-SOUVJXGZSA-N 2 1 252.446 3.133 20 0 CGADMP COc1ccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1 ZINC001232011305 818232979 /nfs/dbraw/zinc/23/29/79/818232979.db2.gz AQQYXTKXVJTKSH-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP CC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232147221 818263690 /nfs/dbraw/zinc/26/36/90/818263690.db2.gz MFFOHZAWPAEROQ-MRXNPFEDSA-N 2 1 264.388 3.262 20 0 CGADMP C[N@H+](Cc1cccc2ncsc21)CC1CC[NH+](C)CC1 ZINC001232734048 818427957 /nfs/dbraw/zinc/42/79/57/818427957.db2.gz UTMVIXUTRHXUHI-UHFFFAOYSA-N 2 1 289.448 3.070 20 0 CGADMP c1cc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cs1 ZINC001234978753 818967627 /nfs/dbraw/zinc/96/76/27/818967627.db2.gz JTOFAPKYVJEDRM-CALCHBBNSA-N 2 1 284.428 3.066 20 0 CGADMP Clc1sc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC001234982571 818970427 /nfs/dbraw/zinc/97/04/27/818970427.db2.gz VEMRLDUEKBQIQT-PHIMTYICSA-N 2 1 292.835 3.206 20 0 CGADMP Clc1sc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC001234982571 818970434 /nfs/dbraw/zinc/97/04/34/818970434.db2.gz VEMRLDUEKBQIQT-PHIMTYICSA-N 2 1 292.835 3.206 20 0 CGADMP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccccc1-c1ccccc1 ZINC001235007379 818978890 /nfs/dbraw/zinc/97/88/90/818978890.db2.gz NHWOXJNHEAHAPM-UHFFFAOYSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccccc1-c1ccccc1 ZINC001235007379 818978896 /nfs/dbraw/zinc/97/88/96/818978896.db2.gz NHWOXJNHEAHAPM-UHFFFAOYSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCc1cccc(C(F)(F)F)c1 ZINC001235007965 818979026 /nfs/dbraw/zinc/97/90/26/818979026.db2.gz OYAFMGIJGFVFLN-UHFFFAOYSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2CCCc1cccc(C(F)(F)F)c1 ZINC001235007965 818979030 /nfs/dbraw/zinc/97/90/30/818979030.db2.gz OYAFMGIJGFVFLN-UHFFFAOYSA-N 2 1 298.352 3.061 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024612 818979874 /nfs/dbraw/zinc/97/98/74/818979874.db2.gz OWVCAGRHAPHWAG-OAHLLOKOSA-N 2 1 250.430 3.054 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235032514 818984364 /nfs/dbraw/zinc/98/43/64/818984364.db2.gz QJWTYUCYXYKFRN-DOTOQJQBSA-N 2 1 272.436 3.168 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235032514 818984372 /nfs/dbraw/zinc/98/43/72/818984372.db2.gz QJWTYUCYXYKFRN-DOTOQJQBSA-N 2 1 272.436 3.168 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235034080 818984778 /nfs/dbraw/zinc/98/47/78/818984778.db2.gz CEUGRKOYQBWSRC-UHFFFAOYSA-N 2 1 289.398 3.204 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235034080 818984786 /nfs/dbraw/zinc/98/47/86/818984786.db2.gz CEUGRKOYQBWSRC-UHFFFAOYSA-N 2 1 289.398 3.204 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038011 818985651 /nfs/dbraw/zinc/98/56/51/818985651.db2.gz LETVKKFEPBCBLY-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038011 818985659 /nfs/dbraw/zinc/98/56/59/818985659.db2.gz LETVKKFEPBCBLY-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP Clc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235039960 818988354 /nfs/dbraw/zinc/98/83/54/818988354.db2.gz JOFBLGUYURCUKC-INIZCTEOSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235039960 818988361 /nfs/dbraw/zinc/98/83/61/818988361.db2.gz JOFBLGUYURCUKC-INIZCTEOSA-N 2 1 278.827 3.448 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235043764 818990388 /nfs/dbraw/zinc/99/03/88/818990388.db2.gz HDSSQQWYELXMRG-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP CC1=CC[C@H](CC[NH+]2CCC3(CC[NH2+]3)CC2)C1(C)C ZINC001235105446 819003954 /nfs/dbraw/zinc/00/39/54/819003954.db2.gz DMCWPHWUFCIMSF-OAHLLOKOSA-N 2 1 262.441 3.197 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110130 819005946 /nfs/dbraw/zinc/00/59/46/819005946.db2.gz JMOVGTDAQDLQFU-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c1)NCC2 ZINC001235154613 819017795 /nfs/dbraw/zinc/01/77/95/819017795.db2.gz IREZRGWBAWVBKS-SFHVURJKSA-N 2 1 299.462 3.009 20 0 CGADMP c1csc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235152589 819018307 /nfs/dbraw/zinc/01/83/07/819018307.db2.gz ONLMETLTYYMVGS-MRXNPFEDSA-N 2 1 278.465 3.145 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)oc1C ZINC001235156703 819019302 /nfs/dbraw/zinc/01/93/02/819019302.db2.gz RILNOAPZIZOZDZ-KRWDZBQOSA-N 2 1 276.424 3.251 20 0 CGADMP Fc1cccc(F)c1CC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189759 819030587 /nfs/dbraw/zinc/03/05/87/819030587.db2.gz ARDQSBDYJCDZGM-UHFFFAOYSA-N 2 1 294.389 3.115 20 0 CGADMP Fc1cccc(F)c1CC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189759 819030594 /nfs/dbraw/zinc/03/05/94/819030594.db2.gz ARDQSBDYJCDZGM-UHFFFAOYSA-N 2 1 294.389 3.115 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc2ccccc21 ZINC001235192541 819031869 /nfs/dbraw/zinc/03/18/69/819031869.db2.gz CONQCSZDNAIMLY-KBAYOESNSA-N 2 1 294.442 3.485 20 0 CGADMP c1c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001235225874 819040380 /nfs/dbraw/zinc/04/03/80/819040380.db2.gz VYCFUHHYESHKBS-OLZOCXBDSA-N 2 1 276.449 3.016 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1(C)C ZINC001235240010 819044604 /nfs/dbraw/zinc/04/46/04/819044604.db2.gz ISNKQWFNGUPSBD-BFYDXBDKSA-N 2 1 262.441 3.182 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235254052 819050960 /nfs/dbraw/zinc/05/09/60/819050960.db2.gz AQBDDZUFJYLKHZ-RHSMWYFYSA-N 2 1 292.382 3.380 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235254052 819050966 /nfs/dbraw/zinc/05/09/66/819050966.db2.gz AQBDDZUFJYLKHZ-RHSMWYFYSA-N 2 1 292.382 3.380 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2CCCc1ccc(Cl)c(Cl)c1 ZINC001235254486 819051933 /nfs/dbraw/zinc/05/19/33/819051933.db2.gz JJERBEUVQDJPBQ-HUBLWGQQSA-N 2 1 299.245 3.348 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235273339 819059976 /nfs/dbraw/zinc/05/99/76/819059976.db2.gz RHVXDVXXHMQNTJ-APWZRJJASA-N 2 1 280.415 3.332 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235338383 819071046 /nfs/dbraw/zinc/07/10/46/819071046.db2.gz OCXORQXVFZVYMW-JZIMQPMSSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC1C[NH2+]C1 ZINC001235348973 819076404 /nfs/dbraw/zinc/07/64/04/819076404.db2.gz IKOGDXMHFFOTNM-INIZCTEOSA-N 2 1 280.415 3.469 20 0 CGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235400431 819084490 /nfs/dbraw/zinc/08/44/90/819084490.db2.gz CXOVVLLSYMHSOZ-RBUKOAKNSA-N 2 1 298.405 3.363 20 0 CGADMP CCCCC1CC[NH+](C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)CC1 ZINC001235432059 819095635 /nfs/dbraw/zinc/09/56/35/819095635.db2.gz GWEJCAOSCRLIJP-UKRRQHHQSA-N 2 1 288.426 3.379 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433683 819096266 /nfs/dbraw/zinc/09/62/66/819096266.db2.gz XXIDQVDOJKWKFW-OAHLLOKOSA-N 2 1 252.446 3.300 20 0 CGADMP Cc1ccc(C[N@H+](C)CCC[NH3+])c(OCc2ccccc2)c1 ZINC001235435323 819097727 /nfs/dbraw/zinc/09/77/27/819097727.db2.gz JHRCVPULKIQSEC-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])c(OCc2ccccc2)c1 ZINC001235435323 819097732 /nfs/dbraw/zinc/09/77/32/819097732.db2.gz JHRCVPULKIQSEC-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP C[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH2+]CC1 ZINC001235464324 819105576 /nfs/dbraw/zinc/10/55/76/819105576.db2.gz CREAQVIXRYRMSX-UHFFFAOYSA-N 2 1 258.409 3.138 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC001235608742 819125145 /nfs/dbraw/zinc/12/51/45/819125145.db2.gz UBXNQNIZHDDJBS-GOSISDBHSA-N 2 1 298.474 3.417 20 0 CGADMP Cc1ccc(O[C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)cc1 ZINC001235687483 819141338 /nfs/dbraw/zinc/14/13/38/819141338.db2.gz IHBOXXKSNNXPSE-SFHVURJKSA-N 2 1 290.451 3.357 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710825 819146789 /nfs/dbraw/zinc/14/67/89/819146789.db2.gz GQWFGYSWXZIIFR-MRXNPFEDSA-N 2 1 296.499 3.293 20 0 CGADMP COc1ccc2cc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)ccc2c1 ZINC001235711602 819148749 /nfs/dbraw/zinc/14/87/49/819148749.db2.gz RQYGSYXUQVRGCW-UHFFFAOYSA-N 2 1 296.414 3.034 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCCC4(C[NH2+]C4)C3)ccc2c1 ZINC001235711602 819148751 /nfs/dbraw/zinc/14/87/51/819148751.db2.gz RQYGSYXUQVRGCW-UHFFFAOYSA-N 2 1 296.414 3.034 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713267 819148853 /nfs/dbraw/zinc/14/88/53/819148853.db2.gz VUELFUAIEFYEFE-JSGCOSHPSA-N 2 1 286.341 3.232 20 0 CGADMP CC[C@H]([NH3+])C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713267 819148856 /nfs/dbraw/zinc/14/88/56/819148856.db2.gz VUELFUAIEFYEFE-JSGCOSHPSA-N 2 1 286.341 3.232 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+](C)CCC3CC[NH2+]CC3)c12 ZINC001235717512 819149766 /nfs/dbraw/zinc/14/97/66/819149766.db2.gz HNUSUZFXFLQTKD-UHFFFAOYSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc(C)c1F ZINC001235717342 819150095 /nfs/dbraw/zinc/15/00/95/819150095.db2.gz RKLMEMLQIUGRSL-UHFFFAOYSA-N 2 1 278.415 3.264 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C)CCC3CC[NH2+]CC3)c21 ZINC001235716475 819150175 /nfs/dbraw/zinc/15/01/75/819150175.db2.gz DQJHQVDEVXWOAV-UHFFFAOYSA-N 2 1 285.435 3.298 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1C ZINC001235714558 819150271 /nfs/dbraw/zinc/15/02/71/819150271.db2.gz NMOUXOXBFUPMBR-UHFFFAOYSA-N 2 1 290.451 3.134 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc2occc21 ZINC001235717527 819150282 /nfs/dbraw/zinc/15/02/82/819150282.db2.gz HXPZRYXQZJFINO-UHFFFAOYSA-N 2 1 272.392 3.254 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235716878 819150430 /nfs/dbraw/zinc/15/04/30/819150430.db2.gz KYXAWMIYAWJGON-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP C[N@H+](CCc1ccc(F)cc1Cl)CCC1CC[NH2+]CC1 ZINC001235715782 819150456 /nfs/dbraw/zinc/15/04/56/819150456.db2.gz WKOMVHYBRQCQSQ-UHFFFAOYSA-N 2 1 298.833 3.343 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1csc(Cl)c1 ZINC001235716885 819150780 /nfs/dbraw/zinc/15/07/80/819150780.db2.gz LINSJUKDNKBKLT-UHFFFAOYSA-N 2 1 272.845 3.223 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(C)s1 ZINC001235717619 819152204 /nfs/dbraw/zinc/15/22/04/819152204.db2.gz WOJBALWUDQQPCV-UHFFFAOYSA-N 2 1 266.454 3.186 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001235726063 819154705 /nfs/dbraw/zinc/15/47/05/819154705.db2.gz MDHIIOIWUQKIRI-QAPCUYQASA-N 2 1 288.435 3.222 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001235839012 819180365 /nfs/dbraw/zinc/18/03/65/819180365.db2.gz GUIOOXQDJDBEJG-JTQLQIEISA-N 2 1 258.818 3.277 20 0 CGADMP CCCC[NH+](CCCC)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235834777 819180846 /nfs/dbraw/zinc/18/08/46/819180846.db2.gz OVLRWIJSLNFNTQ-KGLIPLIRSA-N 2 1 276.415 3.379 20 0 CGADMP C[N@H+](CCc1ccccc1Cl)CC[C@@H]1CCC[NH2+]C1 ZINC001235839434 819181988 /nfs/dbraw/zinc/18/19/88/819181988.db2.gz RPFCKFFQNBAIHY-AWEZNQCLSA-N 2 1 280.843 3.204 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001235866343 819190561 /nfs/dbraw/zinc/19/05/61/819190561.db2.gz IUJOUPXOCDSMPM-IRXDYDNUSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCCCOCc1ccccc1 ZINC001235894107 819203298 /nfs/dbraw/zinc/20/32/98/819203298.db2.gz ZXPWBSNXKNNTKW-FUHWJXTLSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCCCCOCc1ccccc1 ZINC001235894107 819203303 /nfs/dbraw/zinc/20/33/03/819203303.db2.gz ZXPWBSNXKNNTKW-FUHWJXTLSA-N 2 1 290.451 3.185 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1Cl ZINC001235924925 819222809 /nfs/dbraw/zinc/22/28/09/819222809.db2.gz CPMGMUXJQGQWPA-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1Cl ZINC001235924925 819222819 /nfs/dbraw/zinc/22/28/19/819222819.db2.gz CPMGMUXJQGQWPA-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235934611 819230384 /nfs/dbraw/zinc/23/03/84/819230384.db2.gz BWJUYHKXMUXKNB-ZIAGYGMSSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235934611 819230389 /nfs/dbraw/zinc/23/03/89/819230389.db2.gz BWJUYHKXMUXKNB-ZIAGYGMSSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235934608 819230805 /nfs/dbraw/zinc/23/08/05/819230805.db2.gz BWJUYHKXMUXKNB-KBPBESRZSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235934608 819230812 /nfs/dbraw/zinc/23/08/12/819230812.db2.gz BWJUYHKXMUXKNB-KBPBESRZSA-N 2 1 298.352 3.055 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235934533 819231330 /nfs/dbraw/zinc/23/13/30/819231330.db2.gz BJLGRKUJKVWKAY-VXGBXAGGSA-N 2 1 296.867 3.103 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235934533 819231333 /nfs/dbraw/zinc/23/13/33/819231333.db2.gz BJLGRKUJKVWKAY-VXGBXAGGSA-N 2 1 296.867 3.103 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001235939530 819234268 /nfs/dbraw/zinc/23/42/68/819234268.db2.gz PUBVDONAPTUDCS-QZTJIDSGSA-N 2 1 286.463 3.270 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939853 819234602 /nfs/dbraw/zinc/23/46/02/819234602.db2.gz QNDNELICCLFTQX-KBPBESRZSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc(C[N@@H+](CC[NH3+])C(C)C)c2ccccc12 ZINC001235948325 819238214 /nfs/dbraw/zinc/23/82/14/819238214.db2.gz NQDWYXMXSNYRIO-UHFFFAOYSA-N 2 1 256.393 3.317 20 0 CGADMP Cc1ccc(C[N@H+](CC[NH3+])C(C)C)c2ccccc12 ZINC001235948325 819238217 /nfs/dbraw/zinc/23/82/17/819238217.db2.gz NQDWYXMXSNYRIO-UHFFFAOYSA-N 2 1 256.393 3.317 20 0 CGADMP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)C[C@@H]1CCC[NH2+]C1 ZINC001235950364 819240448 /nfs/dbraw/zinc/24/04/48/819240448.db2.gz CMZAQMZPMAAQLK-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235950290 819240619 /nfs/dbraw/zinc/24/06/19/819240619.db2.gz YWSLYLPMHZAXQL-GOEBONIOSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235949350 819240686 /nfs/dbraw/zinc/24/06/86/819240686.db2.gz GHWZPALLZTTYMO-DOMZBBRYSA-N 2 1 296.842 3.447 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235949350 819240691 /nfs/dbraw/zinc/24/06/91/819240691.db2.gz GHWZPALLZTTYMO-DOMZBBRYSA-N 2 1 296.842 3.447 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)s1 ZINC001235950808 819241467 /nfs/dbraw/zinc/24/14/67/819241467.db2.gz NIGUUGUKAABAAG-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950611 819241483 /nfs/dbraw/zinc/24/14/83/819241483.db2.gz INZBXURJYBTOPS-UKPHBRMFSA-N 2 1 292.854 3.375 20 0 CGADMP CC1=CC[C@H](CC[N@H+](C)C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC001235951398 819242212 /nfs/dbraw/zinc/24/22/12/819242212.db2.gz RUVCJRJKIKLVRM-HZPDHXFCSA-N 2 1 264.457 3.300 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959167 819247231 /nfs/dbraw/zinc/24/72/31/819247231.db2.gz FXKQXVMEVGTNLI-AGGWBTHJSA-N 2 1 298.352 3.183 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc3ccccc3s1)C2 ZINC001235960470 819250048 /nfs/dbraw/zinc/25/00/48/819250048.db2.gz WOQVVIZKDDRVGQ-YWVIFJGQSA-N 2 1 272.417 3.070 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001235975104 819255059 /nfs/dbraw/zinc/25/50/59/819255059.db2.gz WDUQUEAXXJXOQV-MRXNPFEDSA-N 2 1 296.842 3.312 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235982809 819258282 /nfs/dbraw/zinc/25/82/82/819258282.db2.gz WYYIMIQDKOIHTC-DJJJIMSYSA-N 2 1 297.446 3.389 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235982809 819258290 /nfs/dbraw/zinc/25/82/90/819258290.db2.gz WYYIMIQDKOIHTC-DJJJIMSYSA-N 2 1 297.446 3.389 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235996618 819265754 /nfs/dbraw/zinc/26/57/54/819265754.db2.gz YLBRZCZWZUSQFO-QAPCUYQASA-N 2 1 266.388 3.071 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236017374 819275269 /nfs/dbraw/zinc/27/52/69/819275269.db2.gz RVFXKEQLCPJMIZ-RCCFBDPRSA-N 2 1 274.452 3.492 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236017374 819275274 /nfs/dbraw/zinc/27/52/74/819275274.db2.gz RVFXKEQLCPJMIZ-RCCFBDPRSA-N 2 1 274.452 3.492 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CCCCCc2ccccc2)C1 ZINC001236045929 819284037 /nfs/dbraw/zinc/28/40/37/819284037.db2.gz YIBVVASMMVNVAO-DOTOQJQBSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)(CC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1ccccc1 ZINC001236061538 819293820 /nfs/dbraw/zinc/29/38/20/819293820.db2.gz ZYCUKVQCLOLLAV-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)(CC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1ccccc1 ZINC001236061538 819293825 /nfs/dbraw/zinc/29/38/25/819293825.db2.gz ZYCUKVQCLOLLAV-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001236066839 819298358 /nfs/dbraw/zinc/29/83/58/819298358.db2.gz LNSWBYVHUADKRK-HNNXBMFYSA-N 2 1 286.444 3.456 20 0 CGADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001236085735 819308185 /nfs/dbraw/zinc/30/81/85/819308185.db2.gz VJTQREFHEUAIFX-OAHLLOKOSA-N 2 1 272.436 3.170 20 0 CGADMP CC[N@@H+](Cc1cccs1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236088745 819309325 /nfs/dbraw/zinc/30/93/25/819309325.db2.gz IMMVXUHVBSUTMS-YPMHNXCESA-N 2 1 288.407 3.061 20 0 CGADMP CC[N@H+](Cc1cccs1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236088745 819309332 /nfs/dbraw/zinc/30/93/32/819309332.db2.gz IMMVXUHVBSUTMS-YPMHNXCESA-N 2 1 288.407 3.061 20 0 CGADMP CC[N@H+](Cc1cccs1)CC1CC2(C1)CC[NH2+]CC2 ZINC001236088331 819309743 /nfs/dbraw/zinc/30/97/43/819309743.db2.gz DWDMDPQBZOWTPN-UHFFFAOYSA-N 2 1 278.465 3.350 20 0 CGADMP CCC[N@@H+](CCc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001236181133 819360275 /nfs/dbraw/zinc/36/02/75/819360275.db2.gz SQAOJQKSGDRLGT-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@H]1c1c[nH]c2ccccc12 ZINC001236192063 819363938 /nfs/dbraw/zinc/36/39/38/819363938.db2.gz NPZOYOVRTUQMCY-KRWDZBQOSA-N 2 1 271.408 3.434 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236207171 819369960 /nfs/dbraw/zinc/36/99/60/819369960.db2.gz MSMLYUOKHBLBOL-SFHVURJKSA-N 2 1 285.435 3.235 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236207171 819369968 /nfs/dbraw/zinc/36/99/68/819369968.db2.gz MSMLYUOKHBLBOL-SFHVURJKSA-N 2 1 285.435 3.235 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1C ZINC001236211016 819371408 /nfs/dbraw/zinc/37/14/08/819371408.db2.gz FIUAFYYHCUBELX-JKSUJKDBSA-N 2 1 276.424 3.014 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1C ZINC001236211016 819371412 /nfs/dbraw/zinc/37/14/12/819371412.db2.gz FIUAFYYHCUBELX-JKSUJKDBSA-N 2 1 276.424 3.014 20 0 CGADMP Cc1cccc2c(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c[nH]c21 ZINC001236210568 819372161 /nfs/dbraw/zinc/37/21/61/819372161.db2.gz DKVJJRXFSCVGDW-HZPDHXFCSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cccc2c(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c[nH]c21 ZINC001236210568 819372169 /nfs/dbraw/zinc/37/21/69/819372169.db2.gz DKVJJRXFSCVGDW-HZPDHXFCSA-N 2 1 271.408 3.178 20 0 CGADMP CCCOc1ccccc1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236212061 819374067 /nfs/dbraw/zinc/37/40/67/819374067.db2.gz BSSCSGVMDGMXFJ-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(C)c(F)c2F)CC1 ZINC001236213775 819375330 /nfs/dbraw/zinc/37/53/30/819375330.db2.gz VOMXOWQNOZIBBP-UHFFFAOYSA-N 2 1 282.378 3.236 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236213847 819375876 /nfs/dbraw/zinc/37/58/76/819375876.db2.gz PCFANOCGSOWACN-DOTOQJQBSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236213847 819375882 /nfs/dbraw/zinc/37/58/82/819375882.db2.gz PCFANOCGSOWACN-DOTOQJQBSA-N 2 1 271.408 3.178 20 0 CGADMP CC(C)COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236214823 819378614 /nfs/dbraw/zinc/37/86/14/819378614.db2.gz FNSLASCLVGUGIY-ROUUACIJSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236214823 819378620 /nfs/dbraw/zinc/37/86/20/819378620.db2.gz FNSLASCLVGUGIY-ROUUACIJSA-N 2 1 290.451 3.423 20 0 CGADMP C[N@H+](Cc1ccc2occc2c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217323 819383007 /nfs/dbraw/zinc/38/30/07/819383007.db2.gz NYHWGDAXASJJAL-CABCVRRESA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1ccc2occc2c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217323 819383012 /nfs/dbraw/zinc/38/30/12/819383012.db2.gz NYHWGDAXASJJAL-CABCVRRESA-N 2 1 258.365 3.135 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1 ZINC001236221899 819387431 /nfs/dbraw/zinc/38/74/31/819387431.db2.gz ICMZOHRLVJNHIJ-WKILWMFISA-N 2 1 260.425 3.314 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236224649 819392188 /nfs/dbraw/zinc/39/21/88/819392188.db2.gz UQDQZKXPFKLYMT-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP Cc1cc(C[NH+]2CCC[NH2+]CCC2)cc(C)c1OC(C)C ZINC001236241696 819401198 /nfs/dbraw/zinc/40/11/98/819401198.db2.gz UJXVQOLSISPDIJ-UHFFFAOYSA-N 2 1 290.451 3.276 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236245727 819402791 /nfs/dbraw/zinc/40/27/91/819402791.db2.gz VDBSZKBMVDOQKT-HUUCEWRRSA-N 2 1 270.461 3.031 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236245727 819402797 /nfs/dbraw/zinc/40/27/97/819402797.db2.gz VDBSZKBMVDOQKT-HUUCEWRRSA-N 2 1 270.461 3.031 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315515 819422096 /nfs/dbraw/zinc/42/20/96/819422096.db2.gz JWGYKVALHIXYLU-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)NCCC2 ZINC001236323219 819425774 /nfs/dbraw/zinc/42/57/74/819425774.db2.gz YQCNYJVMAIBNPU-UHFFFAOYSA-N 2 1 289.467 3.208 20 0 CGADMP Nc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236376084 819442164 /nfs/dbraw/zinc/44/21/64/819442164.db2.gz OYYKHALNUNWAMU-INIZCTEOSA-N 2 1 287.451 3.013 20 0 CGADMP CC[C@@H](C)C[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387666 819445020 /nfs/dbraw/zinc/44/50/20/819445020.db2.gz FAXGUYHASYSCLR-RHSMWYFYSA-N 2 1 278.415 3.426 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387666 819445022 /nfs/dbraw/zinc/44/50/22/819445022.db2.gz FAXGUYHASYSCLR-RHSMWYFYSA-N 2 1 278.415 3.426 20 0 CGADMP Fc1cccc(C[N@@H+](CC2CCC2)C2CC[NH2+]CC2)c1 ZINC001236400498 819450867 /nfs/dbraw/zinc/45/08/67/819450867.db2.gz DPKPVIMGVNMOGX-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP CC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407571 819454336 /nfs/dbraw/zinc/45/43/36/819454336.db2.gz HCHBSIAAQSVJRC-UKPHBRMFSA-N 2 1 292.854 3.375 20 0 CGADMP CC[N@@H+](CCCC1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC001236407546 819454848 /nfs/dbraw/zinc/45/48/48/819454848.db2.gz GNRWVIRXADXQAJ-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407570 819454862 /nfs/dbraw/zinc/45/48/62/819454862.db2.gz HCHBSIAAQSVJRC-KMFMINBZSA-N 2 1 292.854 3.375 20 0 CGADMP CC(C)(C)C[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH2+]CC1 ZINC001236455730 819484585 /nfs/dbraw/zinc/48/45/85/819484585.db2.gz YEFOOKADYDBGQF-XHSDSOJGSA-N 2 1 276.468 3.299 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236500123 819505975 /nfs/dbraw/zinc/50/59/75/819505975.db2.gz VUGGUTNBWVASFN-GXTWGEPZSA-N 2 1 294.389 3.175 20 0 CGADMP COc1ccccc1C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550175 819534022 /nfs/dbraw/zinc/53/40/22/819534022.db2.gz IBWZZTJPEGTVJZ-QAQDUYKDSA-N 2 1 290.451 3.423 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+](C)C1CCN(C)CC1 ZINC001236682833 819570096 /nfs/dbraw/zinc/57/00/96/819570096.db2.gz XRADMZFBIKCUSY-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP COc1cc2ccccc2cc1C[N@@H+](C)C1CCN(C)CC1 ZINC001236682833 819570101 /nfs/dbraw/zinc/57/01/01/819570101.db2.gz XRADMZFBIKCUSY-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC001236817240 819606205 /nfs/dbraw/zinc/60/62/05/819606205.db2.gz AMUUBVUPZJYUEC-VBNZEHGJSA-N 2 1 278.465 3.260 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001236832355 819612311 /nfs/dbraw/zinc/61/23/11/819612311.db2.gz VAYXSYMATAUICH-RCCFBDPRSA-N 2 1 272.436 3.198 20 0 CGADMP CCC[N@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236834167 819612935 /nfs/dbraw/zinc/61/29/35/819612935.db2.gz DZYDYZOCUPFDED-CQSZACIVSA-N 2 1 298.377 3.110 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(OC)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236836250 819615716 /nfs/dbraw/zinc/61/57/16/819615716.db2.gz UADPFHXKRUCPTA-INIZCTEOSA-N 2 1 290.451 3.134 20 0 CGADMP CCC[N@H+](Cc1ccc(-n2cccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236842925 819618372 /nfs/dbraw/zinc/61/83/72/819618372.db2.gz HUBRHEPTIYLMHL-GOSISDBHSA-N 2 1 297.446 3.299 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c4ccoc43)C2)C1 ZINC001236900946 819635025 /nfs/dbraw/zinc/63/50/25/819635025.db2.gz GBRXCUBFZOZKMN-KRWDZBQOSA-N 2 1 288.366 3.100 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c4ccoc43)C2)C1 ZINC001236900946 819635029 /nfs/dbraw/zinc/63/50/29/819635029.db2.gz GBRXCUBFZOZKMN-KRWDZBQOSA-N 2 1 288.366 3.100 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)c4ccoc43)C2)C1 ZINC001236900946 819635033 /nfs/dbraw/zinc/63/50/33/819635033.db2.gz GBRXCUBFZOZKMN-KRWDZBQOSA-N 2 1 288.366 3.100 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c4ccoc43)C2)C1 ZINC001236900946 819635038 /nfs/dbraw/zinc/63/50/38/819635038.db2.gz GBRXCUBFZOZKMN-KRWDZBQOSA-N 2 1 288.366 3.100 20 0 CGADMP CCC[N@@H+](C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236904288 819635440 /nfs/dbraw/zinc/63/54/40/819635440.db2.gz RYJQNFHRPQJVDR-UHFFFAOYSA-N 2 1 263.772 3.368 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237056165 819654146 /nfs/dbraw/zinc/65/41/46/819654146.db2.gz HDYWALUXMVVJOU-GOSISDBHSA-N 2 1 290.451 3.426 20 0 CGADMP CCCOc1ccccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055185 819654157 /nfs/dbraw/zinc/65/41/57/819654157.db2.gz ASKHMNSOYKDLCO-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055185 819654160 /nfs/dbraw/zinc/65/41/60/819654160.db2.gz ASKHMNSOYKDLCO-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@](C)(C[NH3+])C3)c[nH]c21 ZINC001237057472 819657407 /nfs/dbraw/zinc/65/74/07/819657407.db2.gz NENRTUJTANLRMK-GOSISDBHSA-N 2 1 285.435 3.291 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237078812 819661870 /nfs/dbraw/zinc/66/18/70/819661870.db2.gz RVUGKJUXEXYZKO-JMGFVUJMSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237078812 819661874 /nfs/dbraw/zinc/66/18/74/819661874.db2.gz RVUGKJUXEXYZKO-JMGFVUJMSA-N 2 1 278.827 3.113 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083195 819663567 /nfs/dbraw/zinc/66/35/67/819663567.db2.gz XAFPSRLVAUCWFK-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083195 819663569 /nfs/dbraw/zinc/66/35/69/819663569.db2.gz XAFPSRLVAUCWFK-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237083859 819663841 /nfs/dbraw/zinc/66/38/41/819663841.db2.gz YVGPWSGAOQZEBO-SFHVURJKSA-N 2 1 290.451 3.343 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237083859 819663846 /nfs/dbraw/zinc/66/38/46/819663846.db2.gz YVGPWSGAOQZEBO-SFHVURJKSA-N 2 1 290.451 3.343 20 0 CGADMP CC[C@@H]([NH3+])C[NH+]1CCC(Cc2cnc3ccccc3c2)CC1 ZINC001237258408 819709875 /nfs/dbraw/zinc/70/98/75/819709875.db2.gz MGQJCWOZPFFHDN-GOSISDBHSA-N 2 1 297.446 3.227 20 0 CGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001237274451 819713434 /nfs/dbraw/zinc/71/34/34/819713434.db2.gz CSUMQMAVRNVAQR-KRWDZBQOSA-N 2 1 296.458 3.480 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237393921 819741656 /nfs/dbraw/zinc/74/16/56/819741656.db2.gz UKPFNLGKDRIDHN-AEFFLSMTSA-N 2 1 295.430 3.117 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237393921 819741658 /nfs/dbraw/zinc/74/16/58/819741658.db2.gz UKPFNLGKDRIDHN-AEFFLSMTSA-N 2 1 295.430 3.117 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(C)c1F ZINC001237401682 819743252 /nfs/dbraw/zinc/74/32/52/819743252.db2.gz FHFVCZZVPBGHRF-CVEARBPZSA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(C)c1F ZINC001237401682 819743255 /nfs/dbraw/zinc/74/32/55/819743255.db2.gz FHFVCZZVPBGHRF-CVEARBPZSA-N 2 1 276.399 3.016 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237395566 819743864 /nfs/dbraw/zinc/74/38/64/819743864.db2.gz XSHCVXKPCBRTHK-HOCLYGCPSA-N 2 1 270.376 3.007 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237395566 819743867 /nfs/dbraw/zinc/74/38/67/819743867.db2.gz XSHCVXKPCBRTHK-HOCLYGCPSA-N 2 1 270.376 3.007 20 0 CGADMP c1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406805 819744805 /nfs/dbraw/zinc/74/48/05/819744805.db2.gz VOUDVJXMEFGNFT-CJNGLKHVSA-N 2 1 270.376 3.007 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406805 819744809 /nfs/dbraw/zinc/74/48/09/819744809.db2.gz VOUDVJXMEFGNFT-CJNGLKHVSA-N 2 1 270.376 3.007 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237404254 819744966 /nfs/dbraw/zinc/74/49/66/819744966.db2.gz NMWCUBUNNXFBDV-WMZOPIPTSA-N 2 1 272.436 3.384 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2occc21 ZINC001237418344 819749463 /nfs/dbraw/zinc/74/94/63/819749463.db2.gz YDZYPNNMZXPCSN-LRDDRELGSA-N 2 1 288.366 3.146 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2occc21 ZINC001237418344 819749467 /nfs/dbraw/zinc/74/94/67/819749467.db2.gz YDZYPNNMZXPCSN-LRDDRELGSA-N 2 1 288.366 3.146 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(C)c1OC ZINC001237507030 819767356 /nfs/dbraw/zinc/76/73/56/819767356.db2.gz JFNSCLVYEAJWNP-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(C)c1OC ZINC001237507030 819767358 /nfs/dbraw/zinc/76/73/58/819767358.db2.gz JFNSCLVYEAJWNP-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2c[nH+]cn21 ZINC001238109865 819936615 /nfs/dbraw/zinc/93/66/15/819936615.db2.gz MABPTSUKJPUEMG-UHFFFAOYSA-N 2 1 295.386 3.365 20 0 CGADMP c1[nH+]cn2c1cccc2C[NH+]1CCC(c2ccncc2)CC1 ZINC001238113325 819937918 /nfs/dbraw/zinc/93/79/18/819937918.db2.gz JBHWRVVCYBWPDJ-UHFFFAOYSA-N 2 1 292.386 3.109 20 0 CGADMP COc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1C ZINC001238984881 820182847 /nfs/dbraw/zinc/18/28/47/820182847.db2.gz WQPVZRLKKQNNRY-UHFFFAOYSA-N 2 1 293.370 3.005 20 0 CGADMP Cc1[nH+]c(N)ccc1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001243656256 823476815 /nfs/dbraw/zinc/47/68/15/823476815.db2.gz BKIVZXCOYGRGSC-UHFFFAOYSA-N 2 1 281.403 3.448 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1C[NH+](C)C ZINC001239681541 820518017 /nfs/dbraw/zinc/51/80/17/820518017.db2.gz KZVWILNJZBZQAB-UHFFFAOYSA-N 2 1 269.392 3.185 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1cccc(OCC[NH+](C)C)c1 ZINC001241249877 821670738 /nfs/dbraw/zinc/67/07/38/821670738.db2.gz AQQLOOMDBYFUQJ-UHFFFAOYSA-N 2 1 299.418 3.063 20 0 CGADMP Cc1[nH+]c(N)ccc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241506560 821907712 /nfs/dbraw/zinc/90/77/12/821907712.db2.gz GSPOBJJTJVXXRW-UHFFFAOYSA-N 2 1 279.387 3.262 20 0 CGADMP Cc1[nH+]c(N)ccc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241506560 821907718 /nfs/dbraw/zinc/90/77/18/821907718.db2.gz GSPOBJJTJVXXRW-UHFFFAOYSA-N 2 1 279.387 3.262 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001242085453 822340797 /nfs/dbraw/zinc/34/07/97/822340797.db2.gz RIYGKKYYDHUXRK-UHFFFAOYSA-N 2 1 267.376 3.106 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001340513128 936406983 /nfs/dbraw/zinc/40/69/83/936406983.db2.gz FQSNPYNNAKUYPV-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001349913278 936968658 /nfs/dbraw/zinc/96/86/58/936968658.db2.gz RQBBNLILURRBMZ-RYRKJORJSA-N 2 1 272.436 3.084 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](C)CC12CC2 ZINC001167841608 927030624 /nfs/dbraw/zinc/03/06/24/927030624.db2.gz NATBWIPOMUJWFW-HUUCEWRRSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1scc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC001474547418 937206029 /nfs/dbraw/zinc/20/60/29/937206029.db2.gz ZSUTZDDNNJHJTN-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](C[C@H]3CCCCC3(C)C)C[C@@]2(C)C1 ZINC001460557964 937534280 /nfs/dbraw/zinc/53/42/80/937534280.db2.gz DWYAAUOIVPXLKK-KBAYOESNSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC001460559487 937534591 /nfs/dbraw/zinc/53/45/91/937534591.db2.gz HYCSZRYKPHRVJV-BDXSIMOUSA-N 2 1 278.484 3.476 20 0 CGADMP C[N@H+]1CC[C@H]2CN(CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651209 937538350 /nfs/dbraw/zinc/53/83/50/937538350.db2.gz HLZZXCVBRRPJLR-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651209 937538352 /nfs/dbraw/zinc/53/83/52/937538352.db2.gz HLZZXCVBRRPJLR-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651209 937538354 /nfs/dbraw/zinc/53/83/54/937538354.db2.gz HLZZXCVBRRPJLR-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651209 937538356 /nfs/dbraw/zinc/53/83/56/937538356.db2.gz HLZZXCVBRRPJLR-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651209 937538358 /nfs/dbraw/zinc/53/83/58/937538358.db2.gz HLZZXCVBRRPJLR-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC000299843670 931985274 /nfs/dbraw/zinc/98/52/74/931985274.db2.gz WDQYGYKLAFGFEI-QXAKKESOSA-N 2 1 299.462 3.024 20 0 CGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC000299843670 931985279 /nfs/dbraw/zinc/98/52/79/931985279.db2.gz WDQYGYKLAFGFEI-QXAKKESOSA-N 2 1 299.462 3.024 20 0 CGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000299843670 931985283 /nfs/dbraw/zinc/98/52/83/931985283.db2.gz WDQYGYKLAFGFEI-QXAKKESOSA-N 2 1 299.462 3.024 20 0 CGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000299843670 931985287 /nfs/dbraw/zinc/98/52/87/931985287.db2.gz WDQYGYKLAFGFEI-QXAKKESOSA-N 2 1 299.462 3.024 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C)cn1 ZINC001461071441 937562212 /nfs/dbraw/zinc/56/22/12/937562212.db2.gz GNJCPHKODLODSU-RHSMWYFYSA-N 2 1 298.434 3.492 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)CC1CCCCC1 ZINC001461176070 937568161 /nfs/dbraw/zinc/56/81/61/937568161.db2.gz BFKAXNPUNUXYST-CGTJXYLNSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)CC1CCCCC1 ZINC001461176070 937568162 /nfs/dbraw/zinc/56/81/62/937568162.db2.gz BFKAXNPUNUXYST-CGTJXYLNSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCC(C)(C)CC2)CCCO1 ZINC001461429129 937581003 /nfs/dbraw/zinc/58/10/03/937581003.db2.gz XIBSYMBWQIJKOS-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC(C)(C)CC2)CCCO1 ZINC001461429129 937581005 /nfs/dbraw/zinc/58/10/05/937581005.db2.gz XIBSYMBWQIJKOS-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP CCCOc1ccc(CN[C@@H]2CC[N@H+](CCC)C2)c(C)c1 ZINC001461652307 937590400 /nfs/dbraw/zinc/59/04/00/937590400.db2.gz LPMPQGGLXQQGHV-QGZVFWFLSA-N 2 1 290.451 3.358 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C)CCCC2)C[C@H]1C ZINC001461862263 937603087 /nfs/dbraw/zinc/60/30/87/937603087.db2.gz SFZLSVJVASREAX-HUUCEWRRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C)CCCC2)C[C@H]1C ZINC001461862263 937603089 /nfs/dbraw/zinc/60/30/89/937603089.db2.gz SFZLSVJVASREAX-HUUCEWRRSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC001307979378 933028595 /nfs/dbraw/zinc/02/85/95/933028595.db2.gz YNRONIGLRPDKTF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC001307979378 933028602 /nfs/dbraw/zinc/02/86/02/933028602.db2.gz YNRONIGLRPDKTF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCSC(C)(C)C ZINC001308089847 933046891 /nfs/dbraw/zinc/04/68/91/933046891.db2.gz OOIJGNNOYDYYTP-AWEZNQCLSA-N 2 1 293.480 3.124 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC001308233997 933077393 /nfs/dbraw/zinc/07/73/93/933077393.db2.gz MLQGAWJXABSJEC-NSHDSACASA-N 2 1 264.344 3.002 20 0 CGADMP CC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001308261051 933083386 /nfs/dbraw/zinc/08/33/86/933083386.db2.gz PNMLJQPAUVUKCM-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP CC(C)C1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC001308609380 933141310 /nfs/dbraw/zinc/14/13/10/933141310.db2.gz BKCDFPQKGSEKGR-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(C)s2)CC1 ZINC001308620856 933144799 /nfs/dbraw/zinc/14/47/99/933144799.db2.gz ZFGIYJRUVKYOCV-UHFFFAOYSA-N 2 1 266.454 3.220 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748933 933170136 /nfs/dbraw/zinc/17/01/36/933170136.db2.gz XRAQPAUKYLZDFG-WOJBJXKFSA-N 2 1 298.474 3.482 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748933 933170138 /nfs/dbraw/zinc/17/01/38/933170138.db2.gz XRAQPAUKYLZDFG-WOJBJXKFSA-N 2 1 298.474 3.482 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748933 933170142 /nfs/dbraw/zinc/17/01/42/933170142.db2.gz XRAQPAUKYLZDFG-WOJBJXKFSA-N 2 1 298.474 3.482 20 0 CGADMP CC(C)(C)[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC001318470428 933731972 /nfs/dbraw/zinc/73/19/72/933731972.db2.gz DWLHOONMYCLFKY-UHFFFAOYSA-N 2 1 287.382 3.294 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)C1CCCCC1 ZINC001319198508 933840412 /nfs/dbraw/zinc/84/04/12/933840412.db2.gz DSSGSHWHJLHCBA-IMJJTQAJSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC001319916365 933957183 /nfs/dbraw/zinc/95/71/83/933957183.db2.gz HDGGXEUEMWUSLK-CRAIPNDOSA-N 2 1 272.436 3.459 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC001320292258 934025001 /nfs/dbraw/zinc/02/50/01/934025001.db2.gz NSYJWICFSYEEPK-OPQOLIRYSA-N 2 1 272.436 3.395 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001323960250 934443118 /nfs/dbraw/zinc/44/31/18/934443118.db2.gz OVRJFHUXHFXDBC-KBPBESRZSA-N 2 1 281.403 3.002 20 0 CGADMP CSCC1CCC([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001324423230 934501164 /nfs/dbraw/zinc/50/11/64/934501164.db2.gz AUULRADSODQNFM-SSHXOBKSSA-N 2 1 284.513 3.371 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001324702203 934551328 /nfs/dbraw/zinc/55/13/28/934551328.db2.gz VJKLNYYJLNYRLB-WNRNVDISSA-N 2 1 272.436 3.253 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC001326034909 934946099 /nfs/dbraw/zinc/94/60/99/934946099.db2.gz BEKBNOXCFUDOLI-GWCFXTLKSA-N 2 1 284.856 3.465 20 0 CGADMP CC[C@@H]([NH2+]CCc1cc(Cl)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC001326458400 934981225 /nfs/dbraw/zinc/98/12/25/934981225.db2.gz HTXMUGRVTYGTRI-CABCVRRESA-N 2 1 296.842 3.011 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001328852178 935173022 /nfs/dbraw/zinc/17/30/22/935173022.db2.gz QLGNLDHVGOITDO-UHFFFAOYSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC001331286375 935365908 /nfs/dbraw/zinc/36/59/08/935365908.db2.gz ANBOXDAYVDMLFB-CABCVRRESA-N 2 1 264.438 3.021 20 0 CGADMP c1ccc(N2CCCC2)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001331420008 935377802 /nfs/dbraw/zinc/37/78/02/935377802.db2.gz TYDYVLMNAMMFFN-QGZVFWFLSA-N 2 1 299.462 3.051 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332423499 935467604 /nfs/dbraw/zinc/46/76/04/935467604.db2.gz CYZDBDJEODAJEL-KRWDZBQOSA-N 2 1 288.410 3.279 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4cc[nH]c43)C[C@H]2C1 ZINC001333890602 936074038 /nfs/dbraw/zinc/07/40/38/936074038.db2.gz FEJOLQWLZWGBMT-CGTJXYLNSA-N 2 1 297.446 3.330 20 0 CGADMP CCC(CC)C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336887920 936225615 /nfs/dbraw/zinc/22/56/15/936225615.db2.gz GGRBMFVFVFPIOF-ARFHVFGLSA-N 2 1 252.446 3.085 20 0 CGADMP CS[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC001473915491 937829767 /nfs/dbraw/zinc/82/97/67/937829767.db2.gz APFBPVGGKUKOPW-KBPBESRZSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001473935661 937831420 /nfs/dbraw/zinc/83/14/20/937831420.db2.gz BGYKXNCSKKLEIT-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC001473998626 937834561 /nfs/dbraw/zinc/83/45/61/937834561.db2.gz CTUCBZMRRAETEL-MRXNPFEDSA-N 2 1 296.430 3.290 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cncc2ccccc21 ZINC001474019273 937835885 /nfs/dbraw/zinc/83/58/85/937835885.db2.gz UMJBDZBQSKGPPK-UHFFFAOYSA-N 2 1 294.402 3.310 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1C[C@H]1C1CCCC1 ZINC001474301372 937849591 /nfs/dbraw/zinc/84/95/91/937849591.db2.gz KEENPBGIZAKXSO-NCOADZHNSA-N 2 1 262.441 3.029 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2(C)CCCC2)C1 ZINC001474344718 937853050 /nfs/dbraw/zinc/85/30/50/937853050.db2.gz RRWOJDDBIFWULS-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC001474478165 937862584 /nfs/dbraw/zinc/86/25/84/937862584.db2.gz ZXQXBCLLYYTKGG-AWEZNQCLSA-N 2 1 296.405 3.486 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC001474612056 937870232 /nfs/dbraw/zinc/87/02/32/937870232.db2.gz AYODXLQBYFTBOB-GOSISDBHSA-N 2 1 274.452 3.111 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC001548919760 938154210 /nfs/dbraw/zinc/15/42/10/938154210.db2.gz SRGFUSYECKQUQO-ZSYWTGECSA-N 2 1 284.447 3.254 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC001549548345 938157907 /nfs/dbraw/zinc/15/79/07/938157907.db2.gz VSSCMRAMPIZSRW-ZJPYXAASSA-N 2 1 284.447 3.395 20 0 CGADMP c1cc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)ccn1 ZINC001550242618 938164592 /nfs/dbraw/zinc/16/45/92/938164592.db2.gz IWPZWIGOEIUJQW-OKZBNKHCSA-N 2 1 285.435 3.139 20 0 CGADMP c1cc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)ccn1 ZINC001550242617 938164744 /nfs/dbraw/zinc/16/47/44/938164744.db2.gz IWPZWIGOEIUJQW-KZNAEPCWSA-N 2 1 285.435 3.139 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540290 938167731 /nfs/dbraw/zinc/16/77/31/938167731.db2.gz BBJCPAFNSRIICQ-GDZNZVCISA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540290 938167732 /nfs/dbraw/zinc/16/77/32/938167732.db2.gz BBJCPAFNSRIICQ-GDZNZVCISA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540290 938167733 /nfs/dbraw/zinc/16/77/33/938167733.db2.gz BBJCPAFNSRIICQ-GDZNZVCISA-N 2 1 294.389 3.299 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552414072 938192170 /nfs/dbraw/zinc/19/21/70/938192170.db2.gz XNCUKVGTKSKRGK-CIRFHOKZSA-N 2 1 272.436 3.239 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001553024680 938195799 /nfs/dbraw/zinc/19/57/99/938195799.db2.gz NPLYIJOLLJRIOH-ULQDDVLXSA-N 2 1 270.420 3.115 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001559584592 938230604 /nfs/dbraw/zinc/23/06/04/938230604.db2.gz RLRWRCAJIBKWJN-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C2CCCCC2)C1 ZINC001559977516 938240692 /nfs/dbraw/zinc/24/06/92/938240692.db2.gz WZIUBPMNHLFIII-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001559977516 938240693 /nfs/dbraw/zinc/24/06/93/938240693.db2.gz WZIUBPMNHLFIII-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001559977516 938240694 /nfs/dbraw/zinc/24/06/94/938240694.db2.gz WZIUBPMNHLFIII-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP Cc1c(Cl)ccc2c1CN(CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001560089399 938243664 /nfs/dbraw/zinc/24/36/64/938243664.db2.gz KKTGVKHCAUINRS-OAHLLOKOSA-N 2 1 292.854 3.491 20 0 CGADMP CS[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC001560523830 938261606 /nfs/dbraw/zinc/26/16/06/938261606.db2.gz QCUNHOOPUOEQRD-CABCVRRESA-N 2 1 272.502 3.228 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC001560679128 938269483 /nfs/dbraw/zinc/26/94/83/938269483.db2.gz BZRVXMWIACUXLY-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC001560706048 938271367 /nfs/dbraw/zinc/27/13/67/938271367.db2.gz ZLJKGKFOCCXSOS-BHYGNILZSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039220 938291163 /nfs/dbraw/zinc/29/11/63/938291163.db2.gz MFLSXEPLNNBWQQ-UHFFFAOYSA-N 2 1 266.404 3.154 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039220 938291164 /nfs/dbraw/zinc/29/11/64/938291164.db2.gz MFLSXEPLNNBWQQ-UHFFFAOYSA-N 2 1 266.404 3.154 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC001575422210 962374520 /nfs/dbraw/zinc/37/45/20/962374520.db2.gz FWPMIJPVWSDCPT-DLBZAZTESA-N 2 1 275.440 3.230 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001575423774 962374805 /nfs/dbraw/zinc/37/48/05/962374805.db2.gz XQZIDVMKXDDTQJ-ZWKOTPCHSA-N 2 1 274.452 3.172 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001575498070 962382981 /nfs/dbraw/zinc/38/29/81/962382981.db2.gz IDJIYBQPHIVEHC-ZGRYLRDCSA-N 2 1 266.473 3.366 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575531261 962387733 /nfs/dbraw/zinc/38/77/33/962387733.db2.gz NCDQIJPCZKWERO-ARFHVFGLSA-N 2 1 252.446 3.120 20 0 CGADMP CC(C)[N@@H+](CCC1C[NH2+]C1)[C@@H](C)c1ccsc1 ZINC001575690292 962410226 /nfs/dbraw/zinc/41/02/26/962410226.db2.gz GJXGEKWFPJZJQG-LBPRGKRZSA-N 2 1 252.427 3.129 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC001575853766 962411650 /nfs/dbraw/zinc/41/16/50/962411650.db2.gz CLALDQXDNDYOMT-OALUTQOASA-N 2 1 286.463 3.413 20 0 CGADMP C[C@H](CC1CCCCC1)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001575934674 962414543 /nfs/dbraw/zinc/41/45/43/962414543.db2.gz RZUZVHLSBJYAJF-OIISXLGYSA-N 2 1 264.457 3.406 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001576058180 962426250 /nfs/dbraw/zinc/42/62/50/962426250.db2.gz VDNRLOFPBPEXKJ-ONGXEEELSA-N 2 1 294.748 3.140 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC001576120612 962433814 /nfs/dbraw/zinc/43/38/14/962433814.db2.gz WUTLPOSGZROPAH-MWLCHTKSSA-N 2 1 295.839 3.119 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC001576120612 962433820 /nfs/dbraw/zinc/43/38/20/962433820.db2.gz WUTLPOSGZROPAH-MWLCHTKSSA-N 2 1 295.839 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@H]2CCCC[C@@H]12 ZINC001576800059 962492145 /nfs/dbraw/zinc/49/21/45/962492145.db2.gz GCGSSUACJJVDRH-PVAVHDDUSA-N 2 1 264.457 3.277 20 0 CGADMP CCCc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC001577608431 962556969 /nfs/dbraw/zinc/55/69/69/962556969.db2.gz DDOMBVUPFYXAFW-BZSNNMDCSA-N 2 1 272.436 3.198 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(C)c1 ZINC001578176325 962574923 /nfs/dbraw/zinc/57/49/23/962574923.db2.gz BKWGSSHYEHRZIG-KRWDZBQOSA-N 2 1 278.440 3.199 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001578266542 962586734 /nfs/dbraw/zinc/58/67/34/962586734.db2.gz KUKIXJPMXSKVRM-XOKHGSTOSA-N 2 1 290.426 3.254 20 0 CGADMP CSCC[C@@H](C)[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC001579370869 962624062 /nfs/dbraw/zinc/62/40/62/962624062.db2.gz SXCYPONJDTWZNM-OLZOCXBDSA-N 2 1 260.491 3.213 20 0 CGADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC001579370869 962624078 /nfs/dbraw/zinc/62/40/78/962624078.db2.gz SXCYPONJDTWZNM-OLZOCXBDSA-N 2 1 260.491 3.213 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC001579571630 962637668 /nfs/dbraw/zinc/63/76/68/962637668.db2.gz IIVMAKMYCZUUAE-ROEZOGTPSA-N 2 1 272.436 3.294 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC001579571630 962637677 /nfs/dbraw/zinc/63/76/77/962637677.db2.gz IIVMAKMYCZUUAE-ROEZOGTPSA-N 2 1 272.436 3.294 20 0 CGADMP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc1 ZINC001579677734 962655565 /nfs/dbraw/zinc/65/55/65/962655565.db2.gz BHOKHBNNHIGFLQ-ATLSCFEFSA-N 2 1 272.436 3.028 20 0 CGADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC3(C[NH3+])CCC3)C2)cc1 ZINC001579677832 962657115 /nfs/dbraw/zinc/65/71/15/962657115.db2.gz DESDECINIIEQMV-NVXWUHKLSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c1F ZINC001579761298 962668061 /nfs/dbraw/zinc/66/80/61/962668061.db2.gz YSWXKJAGHLYFHQ-RDJZCZTQSA-N 2 1 276.399 3.085 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c1F ZINC001579761296 962674410 /nfs/dbraw/zinc/67/44/10/962674410.db2.gz YSWXKJAGHLYFHQ-NVXWUHKLSA-N 2 1 276.399 3.085 20 0 CGADMP Clc1cc(C[NH2+]CC2C[NH2+]C2)ccc1-c1ccccc1 ZINC001579938308 962677878 /nfs/dbraw/zinc/67/78/78/962677878.db2.gz RNXQUFIIWLNQNP-UHFFFAOYSA-N 2 1 286.806 3.316 20 0 CGADMP Fc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001580030016 962685904 /nfs/dbraw/zinc/68/59/04/962685904.db2.gz FFSUUNAFETWTPE-SJLPKXTDSA-N 2 1 290.426 3.222 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)C1 ZINC001580386953 962715610 /nfs/dbraw/zinc/71/56/10/962715610.db2.gz AKEDZDUGRKPAJN-UAGQMJEPSA-N 2 1 276.399 3.075 20 0 CGADMP [NH3+]Cc1cccc(C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC001580343085 962719398 /nfs/dbraw/zinc/71/93/98/962719398.db2.gz WOJHNVALVBMJHS-UHFFFAOYSA-N 2 1 258.409 3.157 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CCC1 ZINC000651242373 398222152 /nfs/dbraw/zinc/22/21/52/398222152.db2.gz BQFWBBHIWMOOEB-SFHVURJKSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491989 398253336 /nfs/dbraw/zinc/25/33/36/398253336.db2.gz CKVTXHRNLFAARG-ZDUSSCGKSA-N 2 1 266.454 3.143 20 0 CGADMP C[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](C)C3)cc2)C1 ZINC000337703511 214226011 /nfs/dbraw/zinc/22/60/11/214226011.db2.gz YLYZBAQYPFCJBO-HZPDHXFCSA-N 2 1 272.436 3.370 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1csc3ccccc13)C2 ZINC000621782118 349585144 /nfs/dbraw/zinc/58/51/44/349585144.db2.gz MQXLSWKTHGJQSD-CZUORRHYSA-N 2 1 272.417 3.215 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1csc3ccccc13)C2 ZINC000621782118 349585148 /nfs/dbraw/zinc/58/51/48/349585148.db2.gz MQXLSWKTHGJQSD-CZUORRHYSA-N 2 1 272.417 3.215 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783239 349586628 /nfs/dbraw/zinc/58/66/28/349586628.db2.gz YZQJNLZEPGEDGI-NUEKZKHPSA-N 2 1 262.372 3.090 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783239 349586630 /nfs/dbraw/zinc/58/66/30/349586630.db2.gz YZQJNLZEPGEDGI-NUEKZKHPSA-N 2 1 262.372 3.090 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000651741414 398279355 /nfs/dbraw/zinc/27/93/55/398279355.db2.gz JGRYUANGXCUZER-SJORKVTESA-N 2 1 298.515 3.395 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000651865171 398297898 /nfs/dbraw/zinc/29/78/98/398297898.db2.gz PJSVVWTYMDNFOH-UHFFFAOYSA-N 2 1 276.415 3.378 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866438 398298761 /nfs/dbraw/zinc/29/87/61/398298761.db2.gz DYYCBHXRMRSMCA-YFHOEESVSA-N 2 1 290.451 3.276 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866438 398298763 /nfs/dbraw/zinc/29/87/63/398298763.db2.gz DYYCBHXRMRSMCA-YFHOEESVSA-N 2 1 290.451 3.276 20 0 CGADMP CCn1cc(C[NH2+]CCC[N@H+](CC)C2CCCCC2)cn1 ZINC000651910553 398305379 /nfs/dbraw/zinc/30/53/79/398305379.db2.gz YMNMWASOGKMYLW-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP CCn1cc(C[NH2+]CCC[N@@H+](CC)C2CCCCC2)cn1 ZINC000651910553 398305383 /nfs/dbraw/zinc/30/53/83/398305383.db2.gz YMNMWASOGKMYLW-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CCOC[C@H]1C)C1CCCCC1 ZINC000651910533 398305700 /nfs/dbraw/zinc/30/57/00/398305700.db2.gz XPWDJOJXRBYMIW-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000338017605 214362385 /nfs/dbraw/zinc/36/23/85/214362385.db2.gz NZNOXVSJRDRVJD-SJKOYZFVSA-N 2 1 287.382 3.244 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000338018929 214363511 /nfs/dbraw/zinc/36/35/11/214363511.db2.gz MSDVEVSMJQNUHD-QLFBSQMISA-N 2 1 258.425 3.225 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCCn2cc[nH+]c2C)[C@H](C)[C@@H]1OC ZINC000338019455 214365082 /nfs/dbraw/zinc/36/50/82/214365082.db2.gz LBERQYYWVOYJLR-IMJJTQAJSA-N 2 1 293.455 3.011 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000623335997 349780629 /nfs/dbraw/zinc/78/06/29/349780629.db2.gz PVKJQENVANGNOV-AAEUAGOBSA-N 2 1 282.378 3.488 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000623335997 349780630 /nfs/dbraw/zinc/78/06/30/349780630.db2.gz PVKJQENVANGNOV-AAEUAGOBSA-N 2 1 282.378 3.488 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000126174763 187222590 /nfs/dbraw/zinc/22/25/90/187222590.db2.gz VPSOFGHLJSQZCO-NUJGCVRESA-N 2 1 290.451 3.082 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Cl)c1 ZINC000423313563 529619125 /nfs/dbraw/zinc/61/91/25/529619125.db2.gz FWBVNNLQPCOFHQ-KBPBESRZSA-N 2 1 252.789 3.118 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623360871 349789086 /nfs/dbraw/zinc/78/90/86/349789086.db2.gz BZCKXFHDNCAIPK-INIZCTEOSA-N 2 1 290.451 3.438 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623360871 349789090 /nfs/dbraw/zinc/78/90/90/349789090.db2.gz BZCKXFHDNCAIPK-INIZCTEOSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1cccc(OC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623372259 349792339 /nfs/dbraw/zinc/79/23/39/349792339.db2.gz MCGMIISPTKKMJI-HZPDHXFCSA-N 2 1 290.451 3.225 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC(F)F)cc1 ZINC000423282072 529668729 /nfs/dbraw/zinc/66/87/29/529668729.db2.gz UTTYDGZJKCOIIO-UONOGXRCSA-N 2 1 284.350 3.066 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126314691 187232926 /nfs/dbraw/zinc/23/29/26/187232926.db2.gz DIPLJXSQRUQBHT-STQMWFEESA-N 2 1 272.396 3.100 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623410678 349802203 /nfs/dbraw/zinc/80/22/03/349802203.db2.gz AEWVLPVBLSMFDX-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623410678 349802206 /nfs/dbraw/zinc/80/22/06/349802206.db2.gz AEWVLPVBLSMFDX-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CC[C@H](N[C@@H]2CSc3ccccc32)CC1(C)C ZINC000623424374 349804462 /nfs/dbraw/zinc/80/44/62/349804462.db2.gz PAGWNGREHCBYBF-GXTWGEPZSA-N 2 1 276.449 3.296 20 0 CGADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1C ZINC000623429278 349806974 /nfs/dbraw/zinc/80/69/74/349806974.db2.gz VUWQQVIMQOCSGB-MRXNPFEDSA-N 2 1 290.451 3.009 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1OC ZINC000623452599 349813206 /nfs/dbraw/zinc/81/32/06/349813206.db2.gz JCLUFZFVCLAXQW-ZNMIVQPWSA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000358341455 282273620 /nfs/dbraw/zinc/27/36/20/282273620.db2.gz NTFDCHVFQNXMNL-UAGQMJEPSA-N 2 1 284.488 3.148 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC23CCC(CC2)C3)CC1(C)C ZINC000623474216 349815850 /nfs/dbraw/zinc/81/58/50/349815850.db2.gz VKWRJDKGTYWVBU-NPCAHTBFSA-N 2 1 250.430 3.029 20 0 CGADMP CCc1[nH+]ccn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412999481 529760210 /nfs/dbraw/zinc/76/02/10/529760210.db2.gz LHWLCEPKCGOTLA-UHFFFAOYSA-N 2 1 283.419 3.480 20 0 CGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623486912 349818353 /nfs/dbraw/zinc/81/83/53/349818353.db2.gz NCPJGNRXZOLHKO-ULQDDVLXSA-N 2 1 296.499 3.433 20 0 CGADMP CSc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623512476 349824440 /nfs/dbraw/zinc/82/44/40/349824440.db2.gz IZZDYUCYMVXXMQ-HNNXBMFYSA-N 2 1 292.492 3.413 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623515847 349825247 /nfs/dbraw/zinc/82/52/47/349825247.db2.gz SKFDOEPHJTVIER-YPMHNXCESA-N 2 1 252.427 3.272 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623515847 349825252 /nfs/dbraw/zinc/82/52/52/349825252.db2.gz SKFDOEPHJTVIER-YPMHNXCESA-N 2 1 252.427 3.272 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623528780 349827690 /nfs/dbraw/zinc/82/76/90/349827690.db2.gz CXDQUMMDHKIQIH-QGZVFWFLSA-N 2 1 272.436 3.335 20 0 CGADMP CC[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538100 349829478 /nfs/dbraw/zinc/82/94/78/349829478.db2.gz WSVWIZWOBYONKL-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623546739 349831308 /nfs/dbraw/zinc/83/13/08/349831308.db2.gz PVJFTKRPCIFVJN-WBVHZDCISA-N 2 1 289.467 3.255 20 0 CGADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623563022 349835718 /nfs/dbraw/zinc/83/57/18/349835718.db2.gz LENACUCEEIKSKY-CQSZACIVSA-N 2 1 284.488 3.026 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656900 349858682 /nfs/dbraw/zinc/85/86/82/349858682.db2.gz FDPIKUUMUACEDP-XIRDDKMYSA-N 2 1 264.457 3.300 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000623656627 349858766 /nfs/dbraw/zinc/85/87/66/349858766.db2.gz YNTVDYDWRQXJBY-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000623656627 349858767 /nfs/dbraw/zinc/85/87/67/349858767.db2.gz YNTVDYDWRQXJBY-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657347 349859732 /nfs/dbraw/zinc/85/97/32/349859732.db2.gz OJSVMKIYSVTGKD-GVDBMIGSSA-N 2 1 264.457 3.300 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cc21 ZINC000623657690 349859902 /nfs/dbraw/zinc/85/99/02/349859902.db2.gz WRAFLNXWONOEKF-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000623656638 349857626 /nfs/dbraw/zinc/85/76/26/349857626.db2.gz YWKAMVAEJREDAU-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000623656638 349857627 /nfs/dbraw/zinc/85/76/27/349857627.db2.gz YWKAMVAEJREDAU-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657260 349857655 /nfs/dbraw/zinc/85/76/55/349857655.db2.gz MIEASSJFFVTZBM-IRXDYDNUSA-N 2 1 274.452 3.248 20 0 CGADMP C[N@@H+](CCCCOc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000357903883 529885118 /nfs/dbraw/zinc/88/51/18/529885118.db2.gz MCLYDIJWOHWAHH-KRWDZBQOSA-N 2 1 290.451 3.119 20 0 CGADMP C[NH+](CCCCOc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000357903883 529885119 /nfs/dbraw/zinc/88/51/19/529885119.db2.gz MCLYDIJWOHWAHH-KRWDZBQOSA-N 2 1 290.451 3.119 20 0 CGADMP C[NH+](CCCCOc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000357903883 529885120 /nfs/dbraw/zinc/88/51/20/529885120.db2.gz MCLYDIJWOHWAHH-KRWDZBQOSA-N 2 1 290.451 3.119 20 0 CGADMP C/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623739787 349874501 /nfs/dbraw/zinc/87/45/01/349874501.db2.gz GIFDKLJQGFQUOE-RCAFFNEUSA-N 2 1 270.420 3.349 20 0 CGADMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623739787 349874504 /nfs/dbraw/zinc/87/45/04/349874504.db2.gz GIFDKLJQGFQUOE-RCAFFNEUSA-N 2 1 270.420 3.349 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC000623881011 349903837 /nfs/dbraw/zinc/90/38/37/349903837.db2.gz ANZOTHJZBSOFEX-KRWDZBQOSA-N 2 1 271.408 3.193 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000414192864 530060915 /nfs/dbraw/zinc/06/09/15/530060915.db2.gz TWCHOJYMFXLDML-MJGOQNOKSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000040622746 344963926 /nfs/dbraw/zinc/96/39/26/344963926.db2.gz GTZWTEYGDCLFRK-MXWWQKGMSA-N 2 1 290.426 3.392 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000040623158 344964062 /nfs/dbraw/zinc/96/40/62/344964062.db2.gz IYQOCJPPJLFYOW-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000049670308 345075210 /nfs/dbraw/zinc/07/52/10/345075210.db2.gz NUBILISLLGPDBY-MRXNPFEDSA-N 2 1 260.425 3.123 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCSc2ccccc21 ZINC000096543569 232181546 /nfs/dbraw/zinc/18/15/46/232181546.db2.gz XOPGCLPBUWMWML-AWEZNQCLSA-N 2 1 278.465 3.401 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(F)(F)F)CC1 ZINC000077313205 345568330 /nfs/dbraw/zinc/56/83/30/345568330.db2.gz HSBOKABMZUQHRH-UHFFFAOYSA-N 2 1 280.378 3.383 20 0 CGADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000091482779 345816600 /nfs/dbraw/zinc/81/66/00/345816600.db2.gz JTNYJFYAEDKMNF-NSHDSACASA-N 2 1 261.394 3.050 20 0 CGADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000091482779 345816605 /nfs/dbraw/zinc/81/66/05/345816605.db2.gz JTNYJFYAEDKMNF-NSHDSACASA-N 2 1 261.394 3.050 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000090115809 345784004 /nfs/dbraw/zinc/78/40/04/345784004.db2.gz JUPVHOYNSSDXPW-ZENOOKHLSA-N 2 1 296.842 3.037 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597586 345884069 /nfs/dbraw/zinc/88/40/69/345884069.db2.gz URINYWOXYVEFIL-NEWSRXKRSA-N 2 1 284.447 3.208 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000129033749 346046167 /nfs/dbraw/zinc/04/61/67/346046167.db2.gz PJBZNHZWRCEZBJ-YOEHRIQHSA-N 2 1 284.403 3.030 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000158141215 346163460 /nfs/dbraw/zinc/16/34/60/346163460.db2.gz PLDOAJXNIRJYAN-BLLLJJGKSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000158141215 346163468 /nfs/dbraw/zinc/16/34/68/346163468.db2.gz PLDOAJXNIRJYAN-BLLLJJGKSA-N 2 1 282.378 3.347 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCOC2CCCCCC2)CC1 ZINC000157407990 346161204 /nfs/dbraw/zinc/16/12/04/346161204.db2.gz MZHLCUQUIJEYDX-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCOC2CCCCCC2)CC1 ZINC000157407990 346161208 /nfs/dbraw/zinc/16/12/08/346161208.db2.gz MZHLCUQUIJEYDX-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+](C/C=C/C[N@H+](CCC)C1CC1)C1CC1 ZINC000171679736 346210090 /nfs/dbraw/zinc/21/00/90/346210090.db2.gz QDYORFUPOIHDMQ-AATRIKPKSA-N 2 1 250.430 3.291 20 0 CGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228537757 346315276 /nfs/dbraw/zinc/31/52/76/346315276.db2.gz NQFDAPCOAMEEMC-CGTJXYLNSA-N 2 1 288.435 3.035 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000624068194 349962216 /nfs/dbraw/zinc/96/22/16/349962216.db2.gz OIMODYGOQWPZMI-MWQQHZPXSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000624068194 349962217 /nfs/dbraw/zinc/96/22/17/349962217.db2.gz OIMODYGOQWPZMI-MWQQHZPXSA-N 2 1 272.436 3.251 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000401668330 346591941 /nfs/dbraw/zinc/59/19/41/346591941.db2.gz JLKLDKXLBGCPKH-UHFFFAOYSA-N 2 1 284.190 3.059 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000584697042 346708043 /nfs/dbraw/zinc/70/80/43/346708043.db2.gz ARVICXXECWPZRX-CAOSSQGBSA-N 2 1 252.446 3.133 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000119188446 370652269 /nfs/dbraw/zinc/65/22/69/370652269.db2.gz QTJFBVMSRBBMAK-FDQGKXFDSA-N 2 1 288.435 3.219 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000119188446 370652274 /nfs/dbraw/zinc/65/22/74/370652274.db2.gz QTJFBVMSRBBMAK-FDQGKXFDSA-N 2 1 288.435 3.219 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120757 349978747 /nfs/dbraw/zinc/97/87/47/349978747.db2.gz GJVTVSSARBGRQG-CVEARBPZSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000624122094 349980791 /nfs/dbraw/zinc/98/07/91/349980791.db2.gz JMHIZLJWJIDTEU-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000624122427 349982065 /nfs/dbraw/zinc/98/20/65/349982065.db2.gz RCSULRSJUXAAET-GOEBONIOSA-N 2 1 275.440 3.081 20 0 CGADMP CCC[NH+](CC(C)C[N@H+](CCC)C1CC1)C1CC1 ZINC000605574233 348162379 /nfs/dbraw/zinc/16/23/79/348162379.db2.gz DIESLOYAZHDXGH-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000339405386 215149255 /nfs/dbraw/zinc/14/92/55/215149255.db2.gz BRGDFANOQUDTRO-GOSISDBHSA-N 2 1 290.451 3.281 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000624123167 349983066 /nfs/dbraw/zinc/98/30/66/349983066.db2.gz HBWYPQKZCXNSGD-APWZRJJASA-N 2 1 286.463 3.256 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123669 349983095 /nfs/dbraw/zinc/98/30/95/349983095.db2.gz QFKLJGSKLQOHKM-WMZOPIPTSA-N 2 1 289.467 3.114 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123340 349983197 /nfs/dbraw/zinc/98/31/97/349983197.db2.gz KCZDLTLIKVRFSU-JZXOWHBKSA-N 2 1 290.451 3.084 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000339409162 215151624 /nfs/dbraw/zinc/15/16/24/215151624.db2.gz XOTZJAZKHADJPJ-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000339408236 215152093 /nfs/dbraw/zinc/15/20/93/215152093.db2.gz WJPZFUBVCSQVHK-OIISXLGYSA-N 2 1 260.425 3.095 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339439465 215172501 /nfs/dbraw/zinc/17/25/01/215172501.db2.gz KIQDYRSLXMLRQU-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339439465 215172503 /nfs/dbraw/zinc/17/25/03/215172503.db2.gz KIQDYRSLXMLRQU-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339439465 215172505 /nfs/dbraw/zinc/17/25/05/215172505.db2.gz KIQDYRSLXMLRQU-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000358005535 233035900 /nfs/dbraw/zinc/03/59/00/233035900.db2.gz NRDBQPQMARGFCI-DVOMOZLQSA-N 2 1 269.392 3.487 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000358089315 233056852 /nfs/dbraw/zinc/05/68/52/233056852.db2.gz UDVYVFNYSOWIEK-STQMWFEESA-N 2 1 277.456 3.488 20 0 CGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358192018 233076988 /nfs/dbraw/zinc/07/69/88/233076988.db2.gz PQXIUVFQCAOFFP-NVXWUHKLSA-N 2 1 290.451 3.054 20 0 CGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358192018 233076991 /nfs/dbraw/zinc/07/69/91/233076991.db2.gz PQXIUVFQCAOFFP-NVXWUHKLSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628229738 350451548 /nfs/dbraw/zinc/45/15/48/350451548.db2.gz GUOCFZSYPZNLQU-JKSUJKDBSA-N 2 1 284.513 3.230 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261548033 290264267 /nfs/dbraw/zinc/26/42/67/290264267.db2.gz IZNBBYNWASVMRF-RISCZKNCSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261548033 290264271 /nfs/dbraw/zinc/26/42/71/290264271.db2.gz IZNBBYNWASVMRF-RISCZKNCSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC(F)(F)C1 ZINC000628353283 350514225 /nfs/dbraw/zinc/51/42/25/350514225.db2.gz PMLMULMXQRBYDT-GXTWGEPZSA-N 2 1 286.410 3.132 20 0 CGADMP CCc1ccc(C)[nH+]c1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628337596 350504788 /nfs/dbraw/zinc/50/47/88/350504788.db2.gz LNVZCCWVFSRWMM-AWEZNQCLSA-N 2 1 261.413 3.237 20 0 CGADMP Cc1ccc2ncc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc2c1 ZINC000629535391 350704757 /nfs/dbraw/zinc/70/47/57/350704757.db2.gz FWQFACWFMPWOBC-MRXNPFEDSA-N 2 1 271.408 3.006 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000629535200 350705068 /nfs/dbraw/zinc/70/50/68/350705068.db2.gz CIBCEIOSPCMKKZ-HOCLYGCPSA-N 2 1 289.467 3.184 20 0 CGADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000629550884 350710872 /nfs/dbraw/zinc/71/08/72/350710872.db2.gz PPUYPUDSDLIBHJ-NEPJUHHUSA-N 2 1 278.362 3.229 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC2(CC2)CC1 ZINC000629585654 350714744 /nfs/dbraw/zinc/71/47/44/350714744.db2.gz BYYUJAJRFZUMMN-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000629390920 350687540 /nfs/dbraw/zinc/68/75/40/350687540.db2.gz ZGCRPKZGTWAAIB-BHYGNILZSA-N 2 1 260.425 3.046 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629411991 350690360 /nfs/dbraw/zinc/69/03/60/350690360.db2.gz JLSGEXAYZFOIET-GRYCIOLGSA-N 2 1 286.872 3.453 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000629514484 350700111 /nfs/dbraw/zinc/70/01/11/350700111.db2.gz MIULLZNERIBRMC-SQWLQELKSA-N 2 1 294.826 3.063 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656224 350731070 /nfs/dbraw/zinc/73/10/70/350731070.db2.gz NCMSXUQJRZZSSY-MNOVXSKESA-N 2 1 292.370 3.016 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656224 350731076 /nfs/dbraw/zinc/73/10/76/350731076.db2.gz NCMSXUQJRZZSSY-MNOVXSKESA-N 2 1 292.370 3.016 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C[NH2+]1 ZINC000629659852 350732257 /nfs/dbraw/zinc/73/22/57/350732257.db2.gz IXEXWWLQKVYXHP-RYUDHWBXSA-N 2 1 284.806 3.142 20 0 CGADMP Cc1[nH+]c(N)ccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000629696744 350741520 /nfs/dbraw/zinc/74/15/20/350741520.db2.gz HDGVKGUACIIZDI-UHFFFAOYSA-N 2 1 281.403 3.455 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH2+]CCc2c[nH+]cn2C)c(C)c1 ZINC000631179745 350981207 /nfs/dbraw/zinc/98/12/07/350981207.db2.gz JAXFBJQOKNWVNF-AATRIKPKSA-N 2 1 283.419 3.191 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631576420 351074265 /nfs/dbraw/zinc/07/42/65/351074265.db2.gz AECHUKNJKOMSIF-MAUKXSAKSA-N 2 1 287.451 3.169 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886705 351152339 /nfs/dbraw/zinc/15/23/39/351152339.db2.gz JKFCWLSCGDOIAI-FUHWJXTLSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000631738411 351132636 /nfs/dbraw/zinc/13/26/36/351132636.db2.gz LORMZBHYEDBIQI-MIGQKNRLSA-N 2 1 250.430 3.028 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000634678411 351563415 /nfs/dbraw/zinc/56/34/15/351563415.db2.gz SBYAUSFKCSGTNR-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2Cl)CC[N@@H+]1C ZINC000123164472 187074929 /nfs/dbraw/zinc/07/49/29/187074929.db2.gz ZMUDPGPDGVUKJX-ZIAGYGMSSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2Cl)CC[N@H+]1C ZINC000123164472 187074930 /nfs/dbraw/zinc/07/49/30/187074930.db2.gz ZMUDPGPDGVUKJX-ZIAGYGMSSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2Cl)CC[NH+]1C ZINC000123164472 187074931 /nfs/dbraw/zinc/07/49/31/187074931.db2.gz ZMUDPGPDGVUKJX-ZIAGYGMSSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2Cl)CC[NH+]1C ZINC000123164472 187074932 /nfs/dbraw/zinc/07/49/32/187074932.db2.gz ZMUDPGPDGVUKJX-ZIAGYGMSSA-N 2 1 296.842 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(OC)ccc3ccccc32)C1 ZINC000124170076 187125129 /nfs/dbraw/zinc/12/51/29/187125129.db2.gz LWRYRERNPKSMHD-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccccc2F)CC[N@@H+]1C ZINC000123299993 187084028 /nfs/dbraw/zinc/08/40/28/187084028.db2.gz FJWCWPKSPFOASZ-KBPBESRZSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccccc2F)CC[N@H+]1C ZINC000123299993 187084029 /nfs/dbraw/zinc/08/40/29/187084029.db2.gz FJWCWPKSPFOASZ-KBPBESRZSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCSc2ccccc2F)CC[NH+]1C ZINC000123299993 187084030 /nfs/dbraw/zinc/08/40/30/187084030.db2.gz FJWCWPKSPFOASZ-KBPBESRZSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCSc2ccccc2F)CC[NH+]1C ZINC000123299993 187084031 /nfs/dbraw/zinc/08/40/31/187084031.db2.gz FJWCWPKSPFOASZ-KBPBESRZSA-N 2 1 296.455 3.332 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000271516161 191187705 /nfs/dbraw/zinc/18/77/05/191187705.db2.gz IRBSBOCYUSKBEQ-OAHLLOKOSA-N 2 1 287.451 3.448 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271577005 191223250 /nfs/dbraw/zinc/22/32/50/191223250.db2.gz ZTNHQWHRDNOFOS-INMHGKMJSA-N 2 1 292.492 3.238 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000367699658 234243716 /nfs/dbraw/zinc/24/37/16/234243716.db2.gz IFGSWHLUCUXGEG-AWEZNQCLSA-N 2 1 295.386 3.464 20 0 CGADMP C[C@H]1CC([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H](C)C1 ZINC000453396381 290353643 /nfs/dbraw/zinc/35/36/43/290353643.db2.gz IMVCOKJENKZZEC-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368100268 234281703 /nfs/dbraw/zinc/28/17/03/234281703.db2.gz HDJZWDWFBHSQER-OCCSQVGLSA-N 2 1 287.382 3.017 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000152890672 188050606 /nfs/dbraw/zinc/05/06/06/188050606.db2.gz MEALFQPCYBOEHG-IYOUNJFTSA-N 2 1 299.418 3.399 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC[NH+]1C ZINC000336447124 213312411 /nfs/dbraw/zinc/31/24/11/213312411.db2.gz GAYUJYUMWVRYMT-LRDDRELGSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC[NH+]1C ZINC000336447124 213312408 /nfs/dbraw/zinc/31/24/08/213312408.db2.gz GAYUJYUMWVRYMT-LRDDRELGSA-N 2 1 289.398 3.222 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000156819250 188283482 /nfs/dbraw/zinc/28/34/82/188283482.db2.gz NGJVJOYACUGXJP-TYNCELHUSA-N 2 1 296.842 3.167 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000156819250 188283483 /nfs/dbraw/zinc/28/34/83/188283483.db2.gz NGJVJOYACUGXJP-TYNCELHUSA-N 2 1 296.842 3.167 20 0 CGADMP c1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157145640 188300008 /nfs/dbraw/zinc/30/00/08/188300008.db2.gz HLPDFEHUHORJJY-QGZVFWFLSA-N 2 1 288.435 3.016 20 0 CGADMP c1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157145640 188300009 /nfs/dbraw/zinc/30/00/09/188300009.db2.gz HLPDFEHUHORJJY-QGZVFWFLSA-N 2 1 288.435 3.016 20 0 CGADMP CC1=C(C)C[NH+](CCC[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483360638 535235172 /nfs/dbraw/zinc/23/51/72/535235172.db2.gz UOXSUJHKXSWRDX-UHFFFAOYSA-N 2 1 262.441 3.461 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119267404 370661995 /nfs/dbraw/zinc/66/19/95/370661995.db2.gz YYFVVDINJRLFEX-UKRRQHHQSA-N 2 1 278.465 3.289 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119267404 370661998 /nfs/dbraw/zinc/66/19/98/370661998.db2.gz YYFVVDINJRLFEX-UKRRQHHQSA-N 2 1 278.465 3.289 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000411279362 235042397 /nfs/dbraw/zinc/04/23/97/235042397.db2.gz BVSSYLUELYKEES-JLSDUUJJSA-N 2 1 288.410 3.099 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000411279362 235042404 /nfs/dbraw/zinc/04/24/04/235042404.db2.gz BVSSYLUELYKEES-JLSDUUJJSA-N 2 1 288.410 3.099 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000271854343 191370039 /nfs/dbraw/zinc/37/00/39/191370039.db2.gz JALHHPYZGHQXOJ-QGZVFWFLSA-N 2 1 258.409 3.298 20 0 CGADMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC)cc1 ZINC000271863488 191375999 /nfs/dbraw/zinc/37/59/99/191375999.db2.gz KZHOSFAFJHQJCZ-GOSISDBHSA-N 2 1 288.435 3.388 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(C)ccc1OC ZINC000271864737 191376824 /nfs/dbraw/zinc/37/68/24/191376824.db2.gz LECRZNNACUUHNF-QGZVFWFLSA-N 2 1 288.435 3.306 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000414172280 235353947 /nfs/dbraw/zinc/35/39/47/235353947.db2.gz DRQVFBJXQZJZJD-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172668 235353549 /nfs/dbraw/zinc/35/35/49/235353549.db2.gz DZRZSDQSKHJTEI-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414201147 235362555 /nfs/dbraw/zinc/36/25/55/235362555.db2.gz YDSFUXPPCNIOJF-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414201149 235363021 /nfs/dbraw/zinc/36/30/21/235363021.db2.gz YDSFUXPPCNIOJF-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414937447 235498394 /nfs/dbraw/zinc/49/83/94/235498394.db2.gz VRCMFRRRODIDAM-WZRBSPASSA-N 2 1 286.872 3.310 20 0 CGADMP CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476978451 535350924 /nfs/dbraw/zinc/35/09/24/535350924.db2.gz CDPCPONNXPVICM-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP Fc1c(Cl)cccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000125103037 138379982 /nfs/dbraw/zinc/37/99/82/138379982.db2.gz OCVRFRWRZRMLNE-QWHCGFSZSA-N 2 1 282.790 3.196 20 0 CGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146082 235982095 /nfs/dbraw/zinc/98/20/95/235982095.db2.gz NXULMFRTXMBMDG-WFGGJUAMSA-N 2 1 278.827 3.174 20 0 CGADMP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423189866 235991727 /nfs/dbraw/zinc/99/17/27/235991727.db2.gz QDUUYUCRWCXJMB-VNQPRFMTSA-N 2 1 278.827 3.318 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1F ZINC000423278024 236019411 /nfs/dbraw/zinc/01/94/11/236019411.db2.gz QJJDABOYPIBMAU-ZWNOBZJWSA-N 2 1 270.417 3.182 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000423310730 236032984 /nfs/dbraw/zinc/03/29/84/236032984.db2.gz AWVBQOKNTWRQKS-LSDHHAIUSA-N 2 1 298.352 3.483 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000423310727 236033860 /nfs/dbraw/zinc/03/38/60/236033860.db2.gz AWVBQOKNTWRQKS-CABCVRRESA-N 2 1 298.352 3.483 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423314687 236035496 /nfs/dbraw/zinc/03/54/96/236035496.db2.gz HNJCWINMMQCMGE-HUUCEWRRSA-N 2 1 264.800 3.044 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423317527 236037242 /nfs/dbraw/zinc/03/72/42/236037242.db2.gz CJRYVBHDJZKXIA-QMTHXVAHSA-N 2 1 252.789 3.118 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423321963 236038050 /nfs/dbraw/zinc/03/80/50/236038050.db2.gz IFTJQPKYJZARAT-HUUCEWRRSA-N 2 1 284.403 3.263 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423341525 236044680 /nfs/dbraw/zinc/04/46/80/236044680.db2.gz YBROMZTWIUXLEA-NXEZZACHSA-N 2 1 292.370 3.339 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(F)c1F ZINC000423350782 236047428 /nfs/dbraw/zinc/04/74/28/236047428.db2.gz XZLGAGWKXIOUGA-XHDPSFHLSA-N 2 1 268.351 3.005 20 0 CGADMP Cc1cc(F)c(C[NH2+]CCCC[N@H+](C)C2CC2)c(F)c1 ZINC000424179049 236129297 /nfs/dbraw/zinc/12/92/97/236129297.db2.gz YCPCFNDNPAOGOA-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCCCC1CCOCC1)CC[NH2+]CC2 ZINC000424285250 236142024 /nfs/dbraw/zinc/14/20/24/236142024.db2.gz FQPUNNJGPOGGBF-MRXNPFEDSA-N 2 1 294.483 3.047 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1F)CC[NH2+]CC2 ZINC000424288686 236143224 /nfs/dbraw/zinc/14/32/24/236143224.db2.gz KZFNBUJPUPYJHD-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCSc1ccccc1)CC[NH2+]CC2 ZINC000424297561 236143726 /nfs/dbraw/zinc/14/37/26/236143726.db2.gz SXRIHTIRLYKEMF-OAHLLOKOSA-N 2 1 290.476 3.243 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+](CC(C)C)CC(C)C ZINC000428275880 236387148 /nfs/dbraw/zinc/38/71/48/236387148.db2.gz ADHSHPJUUNVIOR-UHFFFAOYSA-N 2 1 251.418 3.196 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1N(C)C ZINC000423186083 299282390 /nfs/dbraw/zinc/28/23/90/299282390.db2.gz WHRKJPUGSHMPQB-AWEZNQCLSA-N 2 1 275.440 3.065 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000296389443 199876273 /nfs/dbraw/zinc/87/62/73/199876273.db2.gz KZJIATGGAPVRMF-LBPRGKRZSA-N 2 1 293.361 3.253 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000436299218 237074684 /nfs/dbraw/zinc/07/46/84/237074684.db2.gz RKSOLBXYHVKNCI-JZXOWHBKSA-N 2 1 294.483 3.188 20 0 CGADMP CSc1cc(C)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297646039 200251034 /nfs/dbraw/zinc/25/10/34/200251034.db2.gz MYVRTNNADXIWMD-UHFFFAOYSA-N 2 1 290.476 3.433 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000341933374 216156686 /nfs/dbraw/zinc/15/66/86/216156686.db2.gz SYFNLMFZAMOYQR-UHFFFAOYSA-N 2 1 291.345 3.139 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000178705294 189138569 /nfs/dbraw/zinc/13/85/69/189138569.db2.gz VLBGJXLHUGLSES-QWHCGFSZSA-N 2 1 275.371 3.318 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000178707436 189139051 /nfs/dbraw/zinc/13/90/51/189139051.db2.gz SNVOUGSHSGWSBK-LSDHHAIUSA-N 2 1 271.408 3.487 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)nc1 ZINC000179136552 189172689 /nfs/dbraw/zinc/17/26/89/189172689.db2.gz PPJYTVGPJOPDJX-BNOWGMLFSA-N 2 1 281.831 3.258 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000180506688 189259177 /nfs/dbraw/zinc/25/91/77/189259177.db2.gz YOZGIMKIFKRBLW-BBRMVZONSA-N 2 1 280.843 3.345 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1 ZINC000180719048 189271951 /nfs/dbraw/zinc/27/19/51/189271951.db2.gz GYIXUKVYSFTEAX-HOCLYGCPSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000119449069 370676467 /nfs/dbraw/zinc/67/64/67/370676467.db2.gz OLEVKTBAXHEHKN-WWGRRREGSA-N 2 1 280.843 3.201 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182064888 189313083 /nfs/dbraw/zinc/31/30/83/189313083.db2.gz APBANFGNUWGZKJ-MRXNPFEDSA-N 2 1 285.435 3.440 20 0 CGADMP Cc1cc[nH+]c(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000301619573 201099448 /nfs/dbraw/zinc/09/94/48/201099448.db2.gz CCVYKMLUVAGLSY-HUUCEWRRSA-N 2 1 261.413 3.170 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000183092555 189346127 /nfs/dbraw/zinc/34/61/27/189346127.db2.gz UZNOZBLKDQWAGX-NVXWUHKLSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000183092555 189346128 /nfs/dbraw/zinc/34/61/28/189346128.db2.gz UZNOZBLKDQWAGX-NVXWUHKLSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000183092555 189346129 /nfs/dbraw/zinc/34/61/29/189346129.db2.gz UZNOZBLKDQWAGX-NVXWUHKLSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000183092555 189346130 /nfs/dbraw/zinc/34/61/30/189346130.db2.gz UZNOZBLKDQWAGX-NVXWUHKLSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221323 189350658 /nfs/dbraw/zinc/35/06/58/189350658.db2.gz OIXZJRVKWZBNHW-NEPJUHHUSA-N 2 1 280.362 3.100 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000184366678 189384353 /nfs/dbraw/zinc/38/43/53/189384353.db2.gz CPQALSRTKODPPE-CQSZACIVSA-N 2 1 272.396 3.026 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cncc(F)c1 ZINC000184497454 189387963 /nfs/dbraw/zinc/38/79/63/189387963.db2.gz VJAYEDQIZPBWRW-UONOGXRCSA-N 2 1 279.403 3.136 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccnc1 ZINC000184899409 189398427 /nfs/dbraw/zinc/39/84/27/189398427.db2.gz QZFGHQIIOIRGEE-QGZVFWFLSA-N 2 1 275.440 3.388 20 0 CGADMP COc1cccc2c(NC[C@H]3CCC[N@H+](C)C3)cc(C)[nH+]c12 ZINC000301983618 201287694 /nfs/dbraw/zinc/28/76/94/201287694.db2.gz KISCOHVGUYHSKR-CQSZACIVSA-N 2 1 299.418 3.306 20 0 CGADMP COc1cccc2c(NC[C@H]3CCC[N@@H+](C)C3)cc(C)[nH+]c12 ZINC000301983618 201287696 /nfs/dbraw/zinc/28/76/96/201287696.db2.gz KISCOHVGUYHSKR-CQSZACIVSA-N 2 1 299.418 3.306 20 0 CGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000449034726 239133779 /nfs/dbraw/zinc/13/37/79/239133779.db2.gz KLUWYTUDMLAVBQ-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000449034726 239133784 /nfs/dbraw/zinc/13/37/84/239133784.db2.gz KLUWYTUDMLAVBQ-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC12CCC2 ZINC000449069935 239157868 /nfs/dbraw/zinc/15/78/68/239157868.db2.gz AZCFKYDWUFHGBF-UKRRQHHQSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449171911 239221751 /nfs/dbraw/zinc/22/17/51/239221751.db2.gz LFBVUZZLDONGKV-YCPHGPKFSA-N 2 1 286.419 3.436 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449171911 239221755 /nfs/dbraw/zinc/22/17/55/239221755.db2.gz LFBVUZZLDONGKV-YCPHGPKFSA-N 2 1 286.419 3.436 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414708394 297311815 /nfs/dbraw/zinc/31/18/15/297311815.db2.gz ZURXMCPKXAGWLR-SUJAAXHWSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1nccn1CCCC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451368947 240284651 /nfs/dbraw/zinc/28/46/51/240284651.db2.gz MTMUTHBQYJEZKS-OWSLCNJRSA-N 2 1 285.435 3.116 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451368947 240284657 /nfs/dbraw/zinc/28/46/57/240284657.db2.gz MTMUTHBQYJEZKS-OWSLCNJRSA-N 2 1 285.435 3.116 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451368947 240284664 /nfs/dbraw/zinc/28/46/64/240284664.db2.gz MTMUTHBQYJEZKS-OWSLCNJRSA-N 2 1 285.435 3.116 20 0 CGADMP Cc1nccn1CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451849392 240369696 /nfs/dbraw/zinc/36/96/96/240369696.db2.gz HKUPZDYRPZCBEE-OAHLLOKOSA-N 2 1 271.364 3.012 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC000275500541 193059995 /nfs/dbraw/zinc/05/99/95/193059995.db2.gz JOWPYOXVOOZINT-BPQIPLTHSA-N 2 1 295.430 3.371 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000121422344 370859587 /nfs/dbraw/zinc/85/95/87/370859587.db2.gz FERRHEDNUGXGEM-DNVCBOLYSA-N 2 1 297.446 3.439 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc3ncccc3c1)CC[NH2+]CC2 ZINC000335545210 212243511 /nfs/dbraw/zinc/24/35/11/212243511.db2.gz YGYNEKKGKRCTKU-HNNXBMFYSA-N 2 1 295.430 3.199 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000459356460 242087280 /nfs/dbraw/zinc/08/72/80/242087280.db2.gz KTCUSYZOLFTIDE-VJANTYMQSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000459356460 242087283 /nfs/dbraw/zinc/08/72/83/242087283.db2.gz KTCUSYZOLFTIDE-VJANTYMQSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000459356460 242087288 /nfs/dbraw/zinc/08/72/88/242087288.db2.gz KTCUSYZOLFTIDE-VJANTYMQSA-N 2 1 284.447 3.206 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459731221 242197482 /nfs/dbraw/zinc/19/74/82/242197482.db2.gz KYEPDYJJYWHRMD-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000459738055 242202566 /nfs/dbraw/zinc/20/25/66/242202566.db2.gz XIGNKXNLFRMDKS-ZFZWDLNGSA-N 2 1 276.399 3.002 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459810950 242242372 /nfs/dbraw/zinc/24/23/72/242242372.db2.gz USEPJEIMGJEFTO-HUUCEWRRSA-N 2 1 293.455 3.153 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480691985 243162332 /nfs/dbraw/zinc/16/23/32/243162332.db2.gz XPERFKKATJNMRW-GOEBONIOSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000486957563 243386747 /nfs/dbraw/zinc/38/67/47/243386747.db2.gz PGLRBDLDHCPFLO-APIJFGDWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000486957563 243386752 /nfs/dbraw/zinc/38/67/52/243386752.db2.gz PGLRBDLDHCPFLO-APIJFGDWSA-N 2 1 252.446 3.131 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)CCCn1ccnc1 ZINC000124217340 370921426 /nfs/dbraw/zinc/92/14/26/370921426.db2.gz OOEJGYDIFIKMKF-UHFFFAOYSA-N 2 1 293.798 3.067 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000019232562 368746110 /nfs/dbraw/zinc/74/61/10/368746110.db2.gz JWEBZHUVLNADNC-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP c1coc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000035121614 368999574 /nfs/dbraw/zinc/99/95/74/368999574.db2.gz QRAZKEPNAGGERZ-UHFFFAOYSA-N 2 1 284.403 3.076 20 0 CGADMP COc1ccc(C)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000035162125 369001262 /nfs/dbraw/zinc/00/12/62/369001262.db2.gz NGVIDFROSVKOLE-INIZCTEOSA-N 2 1 290.451 3.358 20 0 CGADMP COc1ccc(C)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000035162125 369001267 /nfs/dbraw/zinc/00/12/67/369001267.db2.gz NGVIDFROSVKOLE-INIZCTEOSA-N 2 1 290.451 3.358 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000035451468 369003439 /nfs/dbraw/zinc/00/34/39/369003439.db2.gz KEPGYXUSZSFAOQ-OAHLLOKOSA-N 2 1 278.440 3.455 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000036908277 369037247 /nfs/dbraw/zinc/03/72/47/369037247.db2.gz WJFVNCMVOPUZRL-JMSVASOKSA-N 2 1 298.377 3.106 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000035053255 368994086 /nfs/dbraw/zinc/99/40/86/368994086.db2.gz FUSUNTPQKZDFNW-KRWDZBQOSA-N 2 1 258.409 3.212 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000037118212 369063347 /nfs/dbraw/zinc/06/33/47/369063347.db2.gz AALHHZSPUWLIQP-LLVKDONJSA-N 2 1 284.350 3.033 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000037140814 369066329 /nfs/dbraw/zinc/06/63/29/369066329.db2.gz RDVHNXXOOFSDKK-CQSZACIVSA-N 2 1 264.438 3.416 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCC2 ZINC000037140820 369066776 /nfs/dbraw/zinc/06/67/76/369066776.db2.gz KOORLXFNMZLDTL-CQSZACIVSA-N 2 1 284.447 3.453 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000037498295 369086668 /nfs/dbraw/zinc/08/66/68/369086668.db2.gz YROWNVYMOZGXKQ-CYBMUJFWSA-N 2 1 274.412 3.485 20 0 CGADMP c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649221 369095067 /nfs/dbraw/zinc/09/50/67/369095067.db2.gz HFIOMNXHUKDJQJ-XJKSGUPXSA-N 2 1 288.460 3.297 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cl ZINC000037649498 369097659 /nfs/dbraw/zinc/09/76/59/369097659.db2.gz ZOYRZMCDADASRK-QWHCGFSZSA-N 2 1 278.827 3.475 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cl ZINC000037649498 369097663 /nfs/dbraw/zinc/09/76/63/369097663.db2.gz ZOYRZMCDADASRK-QWHCGFSZSA-N 2 1 278.827 3.475 20 0 CGADMP CCOc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000037678183 369099296 /nfs/dbraw/zinc/09/92/96/369099296.db2.gz LZFHFVYTGNSXED-MRXNPFEDSA-N 2 1 290.451 3.439 20 0 CGADMP CCOc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000037678183 369099301 /nfs/dbraw/zinc/09/93/01/369099301.db2.gz LZFHFVYTGNSXED-MRXNPFEDSA-N 2 1 290.451 3.439 20 0 CGADMP C[N@@H+](CCC[NH2+]C(C1CC1)C1CC1)C1CCCCC1 ZINC000037901110 369123797 /nfs/dbraw/zinc/12/37/97/369123797.db2.gz OFNXUOPSOHBSPJ-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000041075627 369172102 /nfs/dbraw/zinc/17/21/02/369172102.db2.gz QNKMEMYBTLDFJX-GOSISDBHSA-N 2 1 270.420 3.354 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc2ccccc21 ZINC000050973958 369445104 /nfs/dbraw/zinc/44/51/04/369445104.db2.gz ZCVWUQDVCNYLEF-UHFFFAOYSA-N 2 1 265.360 3.135 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149232 369477573 /nfs/dbraw/zinc/47/75/73/369477573.db2.gz TUKOILTWZRDDDZ-HFAKWTLXSA-N 2 1 284.806 3.297 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149232 369477577 /nfs/dbraw/zinc/47/75/77/369477577.db2.gz TUKOILTWZRDDDZ-HFAKWTLXSA-N 2 1 284.806 3.297 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000062010647 369613467 /nfs/dbraw/zinc/61/34/67/369613467.db2.gz IFFNYQKKOGBQDS-GFCCVEGCSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000062014469 369613907 /nfs/dbraw/zinc/61/39/07/369613907.db2.gz XANMSVMFMACQEE-LBPRGKRZSA-N 2 1 266.816 3.332 20 0 CGADMP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000502697693 244657377 /nfs/dbraw/zinc/65/73/77/244657377.db2.gz PYLPCOBOEZEQSB-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000066057162 369688283 /nfs/dbraw/zinc/68/82/83/369688283.db2.gz KUWGDGQMWJDOPD-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)CC[N@@H+]1C ZINC000336447124 213312404 /nfs/dbraw/zinc/31/24/04/213312404.db2.gz GAYUJYUMWVRYMT-LRDDRELGSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)CC[N@H+]1C ZINC000336447124 213312406 /nfs/dbraw/zinc/31/24/06/213312406.db2.gz GAYUJYUMWVRYMT-LRDDRELGSA-N 2 1 289.398 3.222 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000069754349 369770599 /nfs/dbraw/zinc/77/05/99/369770599.db2.gz BFOSNCOOMZEJGE-IUODEOHRSA-N 2 1 273.380 3.088 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000070074281 369779147 /nfs/dbraw/zinc/77/91/47/369779147.db2.gz GRILPLHRCWJLNN-MRXNPFEDSA-N 2 1 260.425 3.173 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2sccc2C)CC1 ZINC000070091869 369780381 /nfs/dbraw/zinc/78/03/81/369780381.db2.gz GGLFMPKXHJZJGY-LBPRGKRZSA-N 2 1 252.427 3.191 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169400 369786694 /nfs/dbraw/zinc/78/66/94/369786694.db2.gz HKLRRBLWERECIP-CHWSQXEVSA-N 2 1 266.816 3.462 20 0 CGADMP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000081635402 369998600 /nfs/dbraw/zinc/99/86/00/369998600.db2.gz TXAIMYCMZNLLMV-BPUTZDHNSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@H]1CCCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595215 370043214 /nfs/dbraw/zinc/04/32/14/370043214.db2.gz NEPFNRSIGOSSHP-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000092043306 370089408 /nfs/dbraw/zinc/08/94/08/370089408.db2.gz IWVDLVMCEHLDDF-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000092043306 370089412 /nfs/dbraw/zinc/08/94/12/370089412.db2.gz IWVDLVMCEHLDDF-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000092043306 370089415 /nfs/dbraw/zinc/08/94/15/370089415.db2.gz IWVDLVMCEHLDDF-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000092043307 370090093 /nfs/dbraw/zinc/09/00/93/370090093.db2.gz IWVDLVMCEHLDDF-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000092043307 370090099 /nfs/dbraw/zinc/09/00/99/370090099.db2.gz IWVDLVMCEHLDDF-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000092043307 370090103 /nfs/dbraw/zinc/09/01/03/370090103.db2.gz IWVDLVMCEHLDDF-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP CC(C)c1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000093088673 370108168 /nfs/dbraw/zinc/10/81/68/370108168.db2.gz HSEANEAPSWMFHN-UHFFFAOYSA-N 2 1 281.469 3.040 20 0 CGADMP C[N@H+](Cc1ccc(F)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000093088825 370108206 /nfs/dbraw/zinc/10/82/06/370108206.db2.gz IGTJUYFELVZLOQ-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093370370 370120562 /nfs/dbraw/zinc/12/05/62/370120562.db2.gz SFUMMVDZNDWNMH-MRXNPFEDSA-N 2 1 276.424 3.139 20 0 CGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000111149310 370393419 /nfs/dbraw/zinc/39/34/19/370393419.db2.gz HWBRLYNVZRXNCM-BMFZPTHFSA-N 2 1 272.436 3.196 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198455 370492792 /nfs/dbraw/zinc/49/27/92/370492792.db2.gz WWWZFLIVPJHKEB-CHWSQXEVSA-N 2 1 266.816 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198455 370492795 /nfs/dbraw/zinc/49/27/95/370492795.db2.gz WWWZFLIVPJHKEB-CHWSQXEVSA-N 2 1 266.816 3.285 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000513760402 245097280 /nfs/dbraw/zinc/09/72/80/245097280.db2.gz IPTLQWKXZFHJKF-IKGGRYGDSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129580688 370993651 /nfs/dbraw/zinc/99/36/51/370993651.db2.gz PMPWWEDNFZUPIF-XUJVJEKNSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129580688 370993656 /nfs/dbraw/zinc/99/36/56/370993656.db2.gz PMPWWEDNFZUPIF-XUJVJEKNSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129719968 370997534 /nfs/dbraw/zinc/99/75/34/370997534.db2.gz VZJCGQFUQPMVAJ-DLTWYDFYSA-N 2 1 292.492 3.486 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[NH+](CC)CC)s1 ZINC000131395444 371105170 /nfs/dbraw/zinc/10/51/70/371105170.db2.gz LINDYLWQNWTELY-LBPRGKRZSA-N 2 1 283.485 3.396 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131701622 371123661 /nfs/dbraw/zinc/12/36/61/371123661.db2.gz IIXYVAOLEJOLQD-DYVFJYSZSA-N 2 1 286.350 3.435 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c2ccccc12 ZINC000132214996 371158957 /nfs/dbraw/zinc/15/89/57/371158957.db2.gz MWLDMZYSKCCDMF-UONOGXRCSA-N 2 1 284.403 3.018 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000133310047 371242491 /nfs/dbraw/zinc/24/24/91/371242491.db2.gz PSIMXRHHUIFQBS-DOTOQJQBSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000133836807 371282639 /nfs/dbraw/zinc/28/26/39/371282639.db2.gz KJARTLXNYVCHAQ-CJNGLKHVSA-N 2 1 278.415 3.033 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000134137421 371305913 /nfs/dbraw/zinc/30/59/13/371305913.db2.gz VIYPOVHUTYFECD-CRAIPNDOSA-N 2 1 292.442 3.467 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c(C)o1 ZINC000020437681 541855005 /nfs/dbraw/zinc/85/50/05/541855005.db2.gz DREKREJHETVNFN-LBPRGKRZSA-N 2 1 252.402 3.135 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCCCC1 ZINC000149714750 371529231 /nfs/dbraw/zinc/52/92/31/371529231.db2.gz XERRWJLAEXZRQA-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000151120471 371572533 /nfs/dbraw/zinc/57/25/33/371572533.db2.gz GISOCTOOQAOKDS-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000151120471 371572538 /nfs/dbraw/zinc/57/25/38/371572538.db2.gz GISOCTOOQAOKDS-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000151139258 371574057 /nfs/dbraw/zinc/57/40/57/371574057.db2.gz VENVBUKZZVTCEU-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC000421820544 371642700 /nfs/dbraw/zinc/64/27/00/371642700.db2.gz MUGYVPJWKUSBPP-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP COC1([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)CCCCC1 ZINC000421831404 371656503 /nfs/dbraw/zinc/65/65/03/371656503.db2.gz LHCKCOWFTRAHAY-OAHLLOKOSA-N 2 1 293.455 3.299 20 0 CGADMP C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419213 371694557 /nfs/dbraw/zinc/69/45/57/371694557.db2.gz WZIPCUWQPSDSFP-WDEREUQCSA-N 2 1 298.352 3.239 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419213 371694561 /nfs/dbraw/zinc/69/45/61/371694561.db2.gz WZIPCUWQPSDSFP-WDEREUQCSA-N 2 1 298.352 3.239 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(C3CC3)c2)CCCCC1 ZINC000422552608 371748261 /nfs/dbraw/zinc/74/82/61/371748261.db2.gz HRUWHBKTRQLXOE-UHFFFAOYSA-N 2 1 258.409 3.315 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1F ZINC000422561468 371750479 /nfs/dbraw/zinc/75/04/79/371750479.db2.gz LIOJFYOZQOIWDX-YDHLFZDLSA-N 2 1 294.414 3.030 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1F ZINC000422561468 371750484 /nfs/dbraw/zinc/75/04/84/371750484.db2.gz LIOJFYOZQOIWDX-YDHLFZDLSA-N 2 1 294.414 3.030 20 0 CGADMP CSc1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422626026 371754450 /nfs/dbraw/zinc/75/44/50/371754450.db2.gz DBLKXLNXKCUFPZ-IPYPFGDCSA-N 2 1 278.465 3.214 20 0 CGADMP Cc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422729680 371771078 /nfs/dbraw/zinc/77/10/78/371771078.db2.gz IICCKJJIVUBHFI-LJQANCHMSA-N 2 1 280.415 3.426 20 0 CGADMP C[C@H]([NH2+]CCCSc1ccccc1)c1c[nH+]ccc1N ZINC000422750097 371784751 /nfs/dbraw/zinc/78/47/51/371784751.db2.gz CDKXZQKZKPOVAF-ZDUSSCGKSA-N 2 1 287.432 3.327 20 0 CGADMP C[C@H]([NH2+]CCc1ccccc1Cl)c1c[nH+]ccc1N ZINC000422776272 371798643 /nfs/dbraw/zinc/79/86/43/371798643.db2.gz CMRDHPFLIDKTSO-NSHDSACASA-N 2 1 275.783 3.041 20 0 CGADMP CC[C@H]1C[C@@]1([NH2+]CCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000337379983 214040278 /nfs/dbraw/zinc/04/02/78/214040278.db2.gz CORAQMAKSSZPOO-WMZOPIPTSA-N 2 1 283.419 3.415 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1cccs1 ZINC000422787651 371808762 /nfs/dbraw/zinc/80/87/62/371808762.db2.gz UTCOXZNMQYSNKM-RYUDHWBXSA-N 2 1 275.421 3.085 20 0 CGADMP CCOCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422838888 371834366 /nfs/dbraw/zinc/83/43/66/371834366.db2.gz YMSHKUWTANLBLG-RTBURBONSA-N 2 1 296.414 3.458 20 0 CGADMP Cc1ccc(CN(C)CCC[N@@H+](C)Cc2ccco2)o1 ZINC000289789234 371822195 /nfs/dbraw/zinc/82/21/95/371822195.db2.gz LVSXEKUGVDZXCT-UHFFFAOYSA-N 2 1 276.380 3.135 20 0 CGADMP C[N@@H+](Cc1cccc2cc[nH]c21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289888888 371845967 /nfs/dbraw/zinc/84/59/67/371845967.db2.gz WJGATWWNOWRILT-SJPCQFCGSA-N 2 1 283.419 3.225 20 0 CGADMP CCCCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422872101 371847270 /nfs/dbraw/zinc/84/72/70/371847270.db2.gz FRMQTKQGTPBWBC-HNNXBMFYSA-N 2 1 290.451 3.262 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422880200 371851121 /nfs/dbraw/zinc/85/11/21/371851121.db2.gz WNTYPNNWWHPGKE-HZPDHXFCSA-N 2 1 276.424 3.143 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3sccc3c2)CC[N@H+]1C ZINC000289947476 371858869 /nfs/dbraw/zinc/85/88/69/371858869.db2.gz WFOLLLABHHVTIQ-IUODEOHRSA-N 2 1 274.433 3.474 20 0 CGADMP COc1ccc([C@H]([NH2+]CC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422901848 371861550 /nfs/dbraw/zinc/86/15/50/371861550.db2.gz SKLOKAOGHNXGDJ-ROUUACIJSA-N 2 1 288.435 3.268 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC000154678599 371867006 /nfs/dbraw/zinc/86/70/06/371867006.db2.gz OGYCBMRKWXTRLD-ZDUSSCGKSA-N 2 1 280.378 3.383 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000154678599 371867011 /nfs/dbraw/zinc/86/70/11/371867011.db2.gz OGYCBMRKWXTRLD-ZDUSSCGKSA-N 2 1 280.378 3.383 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422948497 371886319 /nfs/dbraw/zinc/88/63/19/371886319.db2.gz SAHDAXXBJMGFBH-KGLIPLIRSA-N 2 1 284.350 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932728 371877641 /nfs/dbraw/zinc/87/76/41/371877641.db2.gz GNWPGLCHIQTLIH-MSOLQXFVSA-N 2 1 296.414 3.202 20 0 CGADMP C[C@H]([NH2+]CCc1csc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422935544 371879793 /nfs/dbraw/zinc/87/97/93/371879793.db2.gz KVXVVWCGZFNRNY-WFASDCNBSA-N 2 1 274.433 3.174 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)s1 ZINC000422947745 371886777 /nfs/dbraw/zinc/88/67/77/371886777.db2.gz YSSZGCHJVMVJME-SMDDNHRTSA-N 2 1 294.851 3.450 20 0 CGADMP CC(C)CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000154375139 371840087 /nfs/dbraw/zinc/84/00/87/371840087.db2.gz HQOAFXPTBSOHCP-ZWKOTPCHSA-N 2 1 292.467 3.066 20 0 CGADMP CCc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000422854451 371840694 /nfs/dbraw/zinc/84/06/94/371840694.db2.gz CUTFDMNFVHHMCD-CXAGYDPISA-N 2 1 288.460 3.359 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423052332 371935660 /nfs/dbraw/zinc/93/56/60/371935660.db2.gz QHIIJNUOLKQLLV-MLGOLLRUSA-N 2 1 272.392 3.014 20 0 CGADMP C[C@H](C1CC1)[N@@H+](CCc1cncn1C)Cc1ccccc1 ZINC000290055839 371890214 /nfs/dbraw/zinc/89/02/14/371890214.db2.gz PATGNXWIZBWDLM-OAHLLOKOSA-N 2 1 283.419 3.263 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422968498 371894440 /nfs/dbraw/zinc/89/44/40/371894440.db2.gz RGYJAQSRNQAYGC-QSPRXWTASA-N 2 1 258.409 3.053 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422986351 371904420 /nfs/dbraw/zinc/90/44/20/371904420.db2.gz CEZGXTSUZOSACG-CQSZACIVSA-N 2 1 299.418 3.176 20 0 CGADMP CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423005276 371912442 /nfs/dbraw/zinc/91/24/42/371912442.db2.gz RBFMBVOXOQYYBI-DZKIICNBSA-N 2 1 278.465 3.287 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)[C@@H]1CCC[NH2+]1 ZINC000423032724 371926816 /nfs/dbraw/zinc/92/68/16/371926816.db2.gz YNDVDIDENVLISW-NHYWBVRUSA-N 2 1 296.817 3.241 20 0 CGADMP Cn1c2ccc(N[C@H]3CCC[C@@H]3[NH3+])cc2[nH+]c1C(C)(C)C ZINC000423037125 371928220 /nfs/dbraw/zinc/92/82/20/371928220.db2.gz BCHHWYQQZYJAJA-STQMWFEESA-N 2 1 286.423 3.163 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2C)[C@H](C)C1 ZINC000155465229 371929304 /nfs/dbraw/zinc/92/93/04/371929304.db2.gz VIWKZBWKRUYWGO-AEFFLSMTSA-N 2 1 274.452 3.166 20 0 CGADMP CC(C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290201800 371932495 /nfs/dbraw/zinc/93/24/95/371932495.db2.gz PEVHFNAVHQFHNA-QGZVFWFLSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423050089 371933982 /nfs/dbraw/zinc/93/39/82/371933982.db2.gz LGLOLCMKWJGRDL-RANZSIQMSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423092610 371958146 /nfs/dbraw/zinc/95/81/46/371958146.db2.gz CQKVXDOGNOWWOW-MZGVZZPPSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000423098913 371963375 /nfs/dbraw/zinc/96/33/75/371963375.db2.gz SYARGTLYYUANIF-WHOFXGATSA-N 2 1 285.366 3.230 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cs2)C1 ZINC000290368242 371974363 /nfs/dbraw/zinc/97/43/63/371974363.db2.gz HGOIJMJCYBZBLV-BXUZGUMPSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cs2)C1 ZINC000290368242 371974372 /nfs/dbraw/zinc/97/43/72/371974372.db2.gz HGOIJMJCYBZBLV-BXUZGUMPSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cs2)C1 ZINC000290368242 371974379 /nfs/dbraw/zinc/97/43/79/371974379.db2.gz HGOIJMJCYBZBLV-BXUZGUMPSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cs2)C1 ZINC000290368242 371974384 /nfs/dbraw/zinc/97/43/84/371974384.db2.gz HGOIJMJCYBZBLV-BXUZGUMPSA-N 2 1 284.856 3.318 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CSCc3ccccc32)CC1 ZINC000037236985 541863543 /nfs/dbraw/zinc/86/35/43/541863543.db2.gz HDMPLFGGPHFIEC-QGZVFWFLSA-N 2 1 290.476 3.439 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423128578 371980959 /nfs/dbraw/zinc/98/09/59/371980959.db2.gz LCUSSNGLHXEUEX-CSFVBSKPSA-N 2 1 276.399 3.192 20 0 CGADMP FC1(F)CC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423127805 371981246 /nfs/dbraw/zinc/98/12/46/371981246.db2.gz KDRBTZWYKUIPEI-GJZGRUSLSA-N 2 1 280.362 3.115 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000423162477 371998005 /nfs/dbraw/zinc/99/80/05/371998005.db2.gz PLBGECJXEKRKIJ-RTBURBONSA-N 2 1 295.430 3.281 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559615 372017011 /nfs/dbraw/zinc/01/70/11/372017011.db2.gz SHYRUYAZSOIZGH-NHYWBVRUSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559615 372017016 /nfs/dbraw/zinc/01/70/16/372017016.db2.gz SHYRUYAZSOIZGH-NHYWBVRUSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559615 372017020 /nfs/dbraw/zinc/01/70/20/372017020.db2.gz SHYRUYAZSOIZGH-NHYWBVRUSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559615 372017024 /nfs/dbraw/zinc/01/70/24/372017024.db2.gz SHYRUYAZSOIZGH-NHYWBVRUSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000423333962 372053353 /nfs/dbraw/zinc/05/33/53/372053353.db2.gz RYYDWSOJEXZVAY-NOZJJQNGSA-N 2 1 297.240 3.108 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CCC1 ZINC000423339094 372053958 /nfs/dbraw/zinc/05/39/58/372053958.db2.gz WKUPPBNJCZJDND-AWEZNQCLSA-N 2 1 264.800 3.188 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423365165 372055049 /nfs/dbraw/zinc/05/50/49/372055049.db2.gz PGYITXGWPFHSMK-ORQFMDKSSA-N 2 1 287.451 3.004 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000423371621 372055285 /nfs/dbraw/zinc/05/52/85/372055285.db2.gz HRGCQQJVJXNWBS-BFQNTYOBSA-N 2 1 282.378 3.016 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000158152614 372055468 /nfs/dbraw/zinc/05/54/68/372055468.db2.gz IGVBEFSUAWOVST-ZFWWWQNUSA-N 2 1 276.424 3.225 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000158152614 372055473 /nfs/dbraw/zinc/05/54/73/372055473.db2.gz IGVBEFSUAWOVST-ZFWWWQNUSA-N 2 1 276.424 3.225 20 0 CGADMP C[NH2+][C@H](C)C[NH2+][C@H](c1ccccc1C)C1CCCC1 ZINC000423389089 372058023 /nfs/dbraw/zinc/05/80/23/372058023.db2.gz LDHFVYUCEKHSCW-PBHICJAKSA-N 2 1 260.425 3.424 20 0 CGADMP CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[NH3+] ZINC000423182440 372011178 /nfs/dbraw/zinc/01/11/78/372011178.db2.gz KIOJIGKSUSJZHV-ZDUSSCGKSA-N 2 1 289.250 3.499 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184479 372012541 /nfs/dbraw/zinc/01/25/41/372012541.db2.gz IDJLPCKBMKCFBE-BEFAXECRSA-N 2 1 295.430 3.084 20 0 CGADMP c1ccc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)cc1 ZINC000423186316 372013277 /nfs/dbraw/zinc/01/32/77/372013277.db2.gz KYSDNZYURHEEBH-LJQANCHMSA-N 2 1 295.430 3.302 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000423503631 372070687 /nfs/dbraw/zinc/07/06/87/372070687.db2.gz FZHBOIZHIIFSLJ-CADBVGFASA-N 2 1 284.447 3.300 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424371270 372085719 /nfs/dbraw/zinc/08/57/19/372085719.db2.gz DIBHCQYFSIEEQE-INIZCTEOSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000344252217 217119727 /nfs/dbraw/zinc/11/97/27/217119727.db2.gz BASQPKBRPDNUGO-BEFAXECRSA-N 2 1 295.430 3.178 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCc2ccccc2)CC[N@H+]1C ZINC000162434129 372395213 /nfs/dbraw/zinc/39/52/13/372395213.db2.gz CZBSISJELLQYBE-AEFFLSMTSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@H]1CCC[C@@H](C[NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000344345531 217160463 /nfs/dbraw/zinc/16/04/63/217160463.db2.gz FAQPWTAPRYVHNP-GOEBONIOSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000430929956 372406758 /nfs/dbraw/zinc/40/67/58/372406758.db2.gz YRWSIKGZTUHTKO-OCCSQVGLSA-N 2 1 298.883 3.491 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1C ZINC000430942735 372408788 /nfs/dbraw/zinc/40/87/88/372408788.db2.gz DRQNLSPEHOGULV-GDBMZVCRSA-N 2 1 278.465 3.065 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4cc[nH]c43)C2)C1 ZINC000293650444 372436158 /nfs/dbraw/zinc/43/61/58/372436158.db2.gz MZZANSPHSUAQRQ-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC000293650444 372436161 /nfs/dbraw/zinc/43/61/61/372436161.db2.gz MZZANSPHSUAQRQ-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000163398737 372467246 /nfs/dbraw/zinc/46/72/46/372467246.db2.gz FGSZPIUQQHGXTG-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000163398737 372467250 /nfs/dbraw/zinc/46/72/50/372467250.db2.gz FGSZPIUQQHGXTG-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP C[C@@H]([C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1)C1CCCCC1 ZINC000168305322 372608093 /nfs/dbraw/zinc/60/80/93/372608093.db2.gz BBXNOXWBCCBLMK-HOTGVXAUSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CCOCC1 ZINC000168319478 372608126 /nfs/dbraw/zinc/60/81/26/372608126.db2.gz OCQCUBJDHWDUEI-HZPDHXFCSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)COc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000434176580 372660583 /nfs/dbraw/zinc/66/05/83/372660583.db2.gz FZJIJEWLBMYDFE-QGZVFWFLSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000434176580 372660586 /nfs/dbraw/zinc/66/05/86/372660586.db2.gz FZJIJEWLBMYDFE-QGZVFWFLSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000434176580 372660589 /nfs/dbraw/zinc/66/05/89/372660589.db2.gz FZJIJEWLBMYDFE-QGZVFWFLSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000434176580 372660592 /nfs/dbraw/zinc/66/05/92/372660592.db2.gz FZJIJEWLBMYDFE-QGZVFWFLSA-N 2 1 290.451 3.105 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435395090 372757958 /nfs/dbraw/zinc/75/79/58/372757958.db2.gz QXQLLVLBQUNROR-LLVKDONJSA-N 2 1 272.845 3.366 20 0 CGADMP CC[N@@H+](Cc1cc(C)sc1C)[C@H]1CCC[NH2+]CC1 ZINC000435396570 372760599 /nfs/dbraw/zinc/76/05/99/372760599.db2.gz ZJVHFYQVCKJQJE-HNNXBMFYSA-N 2 1 266.454 3.329 20 0 CGADMP COc1ccc2oc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cc2c1 ZINC000435448446 372764513 /nfs/dbraw/zinc/76/45/13/372764513.db2.gz WFKSLKDWWYHESR-AWEZNQCLSA-N 2 1 288.391 3.015 20 0 CGADMP Cc1cnccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295433295 372779934 /nfs/dbraw/zinc/77/99/34/372779934.db2.gz OVKVQOBIVWBADJ-NVXWUHKLSA-N 2 1 287.451 3.133 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172350131 372947470 /nfs/dbraw/zinc/94/74/70/372947470.db2.gz ROAZWRVFYGEGDD-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172350131 372947478 /nfs/dbraw/zinc/94/74/78/372947478.db2.gz ROAZWRVFYGEGDD-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172350131 372947491 /nfs/dbraw/zinc/94/74/91/372947491.db2.gz ROAZWRVFYGEGDD-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645102 373001593 /nfs/dbraw/zinc/00/15/93/373001593.db2.gz LRKUDMXXWFQSAB-LSDHHAIUSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645102 373001604 /nfs/dbraw/zinc/00/16/04/373001604.db2.gz LRKUDMXXWFQSAB-LSDHHAIUSA-N 2 1 276.399 3.304 20 0 CGADMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000296103225 373023933 /nfs/dbraw/zinc/02/39/33/373023933.db2.gz YYFUKVSPROZYAA-MMNRESRNSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC000296103225 373023942 /nfs/dbraw/zinc/02/39/42/373023942.db2.gz YYFUKVSPROZYAA-MMNRESRNSA-N 2 1 287.451 3.384 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000353537746 220145127 /nfs/dbraw/zinc/14/51/27/220145127.db2.gz QXCPZFJFMTVDGO-MRXNPFEDSA-N 2 1 281.419 3.239 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000296365533 373106159 /nfs/dbraw/zinc/10/61/59/373106159.db2.gz IFZYKNPHSBYYAE-GOEBONIOSA-N 2 1 296.480 3.290 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442761192 373072314 /nfs/dbraw/zinc/07/23/14/373072314.db2.gz BRGJEXMNYVQKLH-HSBZDZAISA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755928 373072954 /nfs/dbraw/zinc/07/29/54/373072954.db2.gz JODOEUWQXXTPIY-RDBSUJKOSA-N 2 1 285.391 3.072 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755928 373072963 /nfs/dbraw/zinc/07/29/63/373072963.db2.gz JODOEUWQXXTPIY-RDBSUJKOSA-N 2 1 285.391 3.072 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000443652338 373161027 /nfs/dbraw/zinc/16/10/27/373161027.db2.gz GDIZRZREWPSDHY-KSZLIROESA-N 2 1 276.468 3.397 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442889760 373123083 /nfs/dbraw/zinc/12/30/83/373123083.db2.gz LMHGUMJKWDHALX-DLBZAZTESA-N 2 1 297.531 3.063 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442919883 373127776 /nfs/dbraw/zinc/12/77/76/373127776.db2.gz JZNZTVOJPHMHEF-MRXNPFEDSA-N 2 1 290.451 3.282 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000173386390 373133162 /nfs/dbraw/zinc/13/31/62/373133162.db2.gz GCUNBEQEZZGRFG-VXGBXAGGSA-N 2 1 293.361 3.457 20 0 CGADMP CC(C)CCc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443056880 373146319 /nfs/dbraw/zinc/14/63/19/373146319.db2.gz DTNIXGMZHVECKX-AWEZNQCLSA-N 2 1 295.496 3.293 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCCC2)ccc1F ZINC000444730593 373252397 /nfs/dbraw/zinc/25/23/97/373252397.db2.gz HLBDYYKQILJXFB-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCCC2)ccc1F ZINC000444730593 373252401 /nfs/dbraw/zinc/25/24/01/373252401.db2.gz HLBDYYKQILJXFB-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP C[NH+](CC1CCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174397594 373306709 /nfs/dbraw/zinc/30/67/09/373306709.db2.gz YTGUCGILMNXKNC-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300078683 373617806 /nfs/dbraw/zinc/61/78/06/373617806.db2.gz MVKUZDYHQRIBPG-IMJJTQAJSA-N 2 1 262.441 3.053 20 0 CGADMP C[C@H]1CSC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449085055 373661892 /nfs/dbraw/zinc/66/18/92/373661892.db2.gz ZYBJQZOARZSDQW-XUWVNRHRSA-N 2 1 284.513 3.086 20 0 CGADMP C[C@H]([N@@H+](C)Cc1ccc(-n2ccnc2)cc1)C1(C)CC1 ZINC000177219736 373666067 /nfs/dbraw/zinc/66/60/67/373666067.db2.gz KOTUAQMUARVXEA-AWEZNQCLSA-N 2 1 269.392 3.493 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000178412683 373773718 /nfs/dbraw/zinc/77/37/18/373773718.db2.gz ISOAASGAOQKTJC-OAHLLOKOSA-N 2 1 276.424 3.369 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)cc1 ZINC000179241089 373849439 /nfs/dbraw/zinc/84/94/39/373849439.db2.gz OALYKRAJJVRVEN-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)cc1 ZINC000179241089 373849447 /nfs/dbraw/zinc/84/94/47/373849447.db2.gz OALYKRAJJVRVEN-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450449602 374137041 /nfs/dbraw/zinc/13/70/41/374137041.db2.gz FPBZOKNYBDPWLH-HUUCEWRRSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462535 374146029 /nfs/dbraw/zinc/14/60/29/374146029.db2.gz HEXJMMLWLJIHHX-CABCVRRESA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462535 374146036 /nfs/dbraw/zinc/14/60/36/374146036.db2.gz HEXJMMLWLJIHHX-CABCVRRESA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462535 374146042 /nfs/dbraw/zinc/14/60/42/374146042.db2.gz HEXJMMLWLJIHHX-CABCVRRESA-N 2 1 288.426 3.476 20 0 CGADMP C[C@@H]([NH2+]Cc1ccn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309748478 374195021 /nfs/dbraw/zinc/19/50/21/374195021.db2.gz YQISBGBCXQMUHD-APWZRJJASA-N 2 1 297.446 3.025 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309745772 374195598 /nfs/dbraw/zinc/19/55/98/374195598.db2.gz UENWQAJSPQVDBV-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000311354233 374239070 /nfs/dbraw/zinc/23/90/70/374239070.db2.gz ACNXYTVMUJUJIS-YOEHRIQHSA-N 2 1 264.457 3.275 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000313096428 374299664 /nfs/dbraw/zinc/29/96/64/374299664.db2.gz DPKWJKVFUJTIKQ-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000453059084 374363423 /nfs/dbraw/zinc/36/34/23/374363423.db2.gz HZBRBRYBIKFULW-ULQDDVLXSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c(C)c1 ZINC000453260329 374376899 /nfs/dbraw/zinc/37/68/99/374376899.db2.gz XTWANPHYRCVMKF-SJORKVTESA-N 2 1 286.463 3.407 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)[C@H]1OC ZINC000453361173 374448360 /nfs/dbraw/zinc/44/83/60/374448360.db2.gz QSKRHNYJWWHUGB-FUIIOZAVSA-N 2 1 294.483 3.041 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1CCC(C)(C)CC1)C1CC1 ZINC000453395861 374473161 /nfs/dbraw/zinc/47/31/61/374473161.db2.gz HXSXJGKXYOVYAQ-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453417786 374474338 /nfs/dbraw/zinc/47/43/38/374474338.db2.gz YAQCJEDHRVCIKX-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950624 374475455 /nfs/dbraw/zinc/47/54/55/374475455.db2.gz XEXGQJWJLICVLN-HNNXBMFYSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1ncc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000090417339 541961408 /nfs/dbraw/zinc/96/14/08/541961408.db2.gz MSIQDEHAAHGBLN-SMDDNHRTSA-N 2 1 283.485 3.469 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)CCc1cccs1 ZINC000093291835 541980312 /nfs/dbraw/zinc/98/03/12/541980312.db2.gz SSVOBBNJAAZPEG-UHFFFAOYSA-N 2 1 266.454 3.002 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000186187191 374809931 /nfs/dbraw/zinc/80/99/31/374809931.db2.gz OZRCJDGEUUYADB-UPJWGTAASA-N 2 1 282.453 3.280 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CCSCC1 ZINC000186916840 374939140 /nfs/dbraw/zinc/93/91/40/374939140.db2.gz CKSLUGWBSVXFKF-AWEZNQCLSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000187084054 374967225 /nfs/dbraw/zinc/96/72/25/374967225.db2.gz LKFOAANDRIXKMQ-KRWDZBQOSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000187084054 374967232 /nfs/dbraw/zinc/96/72/32/374967232.db2.gz LKFOAANDRIXKMQ-KRWDZBQOSA-N 2 1 287.451 3.006 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000464876952 374914308 /nfs/dbraw/zinc/91/43/08/374914308.db2.gz HUQAELDRMRWJMQ-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000464876952 374914315 /nfs/dbraw/zinc/91/43/15/374914315.db2.gz HUQAELDRMRWJMQ-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC000334723305 375006258 /nfs/dbraw/zinc/00/62/58/375006258.db2.gz WHPAZVASUXUMDM-HNNXBMFYSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3CCC(F)(F)CC3)C2)C1 ZINC000334723305 375006263 /nfs/dbraw/zinc/00/62/63/375006263.db2.gz WHPAZVASUXUMDM-HNNXBMFYSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3CCC(F)(F)CC3)C2)C1 ZINC000334723305 375006266 /nfs/dbraw/zinc/00/62/66/375006266.db2.gz WHPAZVASUXUMDM-HNNXBMFYSA-N 2 1 286.410 3.230 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000187399478 375016978 /nfs/dbraw/zinc/01/69/78/375016978.db2.gz YTTNCBZRTWEJPD-QGZVFWFLSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000187399478 375016987 /nfs/dbraw/zinc/01/69/87/375016987.db2.gz YTTNCBZRTWEJPD-QGZVFWFLSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000187399478 375016991 /nfs/dbraw/zinc/01/69/91/375016991.db2.gz YTTNCBZRTWEJPD-QGZVFWFLSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000472568057 375025013 /nfs/dbraw/zinc/02/50/13/375025013.db2.gz DPYRWEALVFSJEF-UHFFFAOYSA-N 2 1 266.404 3.382 20 0 CGADMP CC[NH+](CCc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000472747886 375031774 /nfs/dbraw/zinc/03/17/74/375031774.db2.gz JQYPWWPADRADCN-GOSISDBHSA-N 2 1 274.452 3.425 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000474404617 375106649 /nfs/dbraw/zinc/10/66/49/375106649.db2.gz XRHABJYJOXGCPJ-QAPCUYQASA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000474404617 375106657 /nfs/dbraw/zinc/10/66/57/375106657.db2.gz XRHABJYJOXGCPJ-QAPCUYQASA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000474404617 375106660 /nfs/dbraw/zinc/10/66/60/375106660.db2.gz XRHABJYJOXGCPJ-QAPCUYQASA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000474404617 375106668 /nfs/dbraw/zinc/10/66/68/375106668.db2.gz XRHABJYJOXGCPJ-QAPCUYQASA-N 2 1 290.426 3.304 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCCC23CC[NH+](C)CC3)C1 ZINC000475126015 375129683 /nfs/dbraw/zinc/12/96/83/375129683.db2.gz YXUUYAYHKKBSOP-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000474605522 375119773 /nfs/dbraw/zinc/11/97/73/375119773.db2.gz LANZHPGRBLBXDL-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000488462832 375310381 /nfs/dbraw/zinc/31/03/81/375310381.db2.gz RMFXYUPSOPHLPQ-SHARSMKWSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000488462832 375310387 /nfs/dbraw/zinc/31/03/87/375310387.db2.gz RMFXYUPSOPHLPQ-SHARSMKWSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C)[C@@H]3CN)ccc2n1 ZINC000097862648 541994615 /nfs/dbraw/zinc/99/46/15/541994615.db2.gz FOAYLLNRTYSYBH-UGSOOPFHSA-N 2 1 283.419 3.102 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189080095 375322435 /nfs/dbraw/zinc/32/24/35/375322435.db2.gz PCTGEVFIESGASP-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335757348 375404655 /nfs/dbraw/zinc/40/46/55/375404655.db2.gz IRIKNSIHYJTGGC-WMLDXEAASA-N 2 1 283.419 3.116 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000495163376 375497829 /nfs/dbraw/zinc/49/78/29/375497829.db2.gz IUYHWRUYUGTOPO-FZKCQIBNSA-N 2 1 282.497 3.077 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccsc1 ZINC000191216837 375596349 /nfs/dbraw/zinc/59/63/49/375596349.db2.gz XSFUHCFYAFHGTB-INIZCTEOSA-N 2 1 296.480 3.026 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191102551 375577142 /nfs/dbraw/zinc/57/71/42/375577142.db2.gz OYDVRQFHHXTYEO-CQSZACIVSA-N 2 1 280.460 3.155 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2cccnc12 ZINC000335967664 375580519 /nfs/dbraw/zinc/58/05/19/375580519.db2.gz LCCOAFRHHMFSNF-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cnn1C(C)C ZINC000191131988 375581748 /nfs/dbraw/zinc/58/17/48/375581748.db2.gz ZESFXCCWOBCWFE-OAHLLOKOSA-N 2 1 292.471 3.299 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)C[NH+]1CCCC1 ZINC000121100503 542015252 /nfs/dbraw/zinc/01/52/52/542015252.db2.gz GJAXXDUJIKQDJM-YVEFUNNKSA-N 2 1 294.389 3.274 20 0 CGADMP CC[C@H](c1ccncc1)[N@H+](C)CCC[NH+](CC)CC ZINC000191601055 375643471 /nfs/dbraw/zinc/64/34/71/375643471.db2.gz CARCLYADKALJJW-MRXNPFEDSA-N 2 1 263.429 3.196 20 0 CGADMP CC[C@H](c1ccncc1)[N@@H+](C)CCC[NH+](CC)CC ZINC000191601055 375643477 /nfs/dbraw/zinc/64/34/77/375643477.db2.gz CARCLYADKALJJW-MRXNPFEDSA-N 2 1 263.429 3.196 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713836 296232962 /nfs/dbraw/zinc/23/29/62/296232962.db2.gz UMQKUURIJCMUKI-SUNKGSAMSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713836 296232964 /nfs/dbraw/zinc/23/29/64/296232964.db2.gz UMQKUURIJCMUKI-SUNKGSAMSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261549556 296233024 /nfs/dbraw/zinc/23/30/24/296233024.db2.gz KPWKJQATCHSIFK-FZMZJTMJSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261549556 296233025 /nfs/dbraw/zinc/23/30/25/296233025.db2.gz KPWKJQATCHSIFK-FZMZJTMJSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccccc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125292991 542036604 /nfs/dbraw/zinc/03/66/04/542036604.db2.gz ZYOBTJBXRJEJCT-AWEZNQCLSA-N 2 1 285.366 3.104 20 0 CGADMP CC(C[NH+]1CCCC[C@H]1C)C[N@H+]1CCCC[C@H]1C ZINC000510261808 375785044 /nfs/dbraw/zinc/78/50/44/375785044.db2.gz QJULSJRBKVGBMS-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000192508679 375759029 /nfs/dbraw/zinc/75/90/29/375759029.db2.gz BLXUVQMCJKZEQH-MAUKXSAKSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192664432 375776148 /nfs/dbraw/zinc/77/61/48/375776148.db2.gz BCOCUHCQBUPBHI-UHFFFAOYSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1cccs1 ZINC000192902029 375800018 /nfs/dbraw/zinc/80/00/18/375800018.db2.gz DPJINYYULMBDAL-AVOUXACISA-N 2 1 278.465 3.142 20 0 CGADMP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927982 375805048 /nfs/dbraw/zinc/80/50/48/375805048.db2.gz XYLYCGPOQIZLLQ-RDJZCZTQSA-N 2 1 260.425 3.144 20 0 CGADMP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927994 375805242 /nfs/dbraw/zinc/80/52/42/375805242.db2.gz XYLYCGPOQIZLLQ-NVXWUHKLSA-N 2 1 260.425 3.144 20 0 CGADMP CC(C)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000192952461 375808379 /nfs/dbraw/zinc/80/83/79/375808379.db2.gz YLTZLLWRPKILHV-MQVJKMGUSA-N 2 1 264.457 3.418 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192952297 375808405 /nfs/dbraw/zinc/80/84/05/375808405.db2.gz VSHMXNVGTKFQAP-ALOPSCKCSA-N 2 1 288.435 3.109 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192952297 375808414 /nfs/dbraw/zinc/80/84/14/375808414.db2.gz VSHMXNVGTKFQAP-ALOPSCKCSA-N 2 1 288.435 3.109 20 0 CGADMP CSCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193327424 375861652 /nfs/dbraw/zinc/86/16/52/375861652.db2.gz RGFSJMCBAHXKQG-ALOPSCKCSA-N 2 1 290.476 3.264 20 0 CGADMP C[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC000193457034 375879005 /nfs/dbraw/zinc/87/90/05/375879005.db2.gz GKDLSBKULJUWGO-UHFFFAOYSA-N 2 1 264.388 3.134 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC000193457034 375879008 /nfs/dbraw/zinc/87/90/08/375879008.db2.gz GKDLSBKULJUWGO-UHFFFAOYSA-N 2 1 264.388 3.134 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000336812248 375964903 /nfs/dbraw/zinc/96/49/03/375964903.db2.gz QQFKOBZFOOTLBQ-HZPDHXFCSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000534298976 375968690 /nfs/dbraw/zinc/96/86/90/375968690.db2.gz YNSNRNKECQCWKX-UHFFFAOYSA-N 2 1 287.382 3.210 20 0 CGADMP CSC[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336819150 375974166 /nfs/dbraw/zinc/97/41/66/375974166.db2.gz YNIWKNWCENJKHU-OAHLLOKOSA-N 2 1 281.469 3.047 20 0 CGADMP CSC[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336819150 375974170 /nfs/dbraw/zinc/97/41/70/375974170.db2.gz YNIWKNWCENJKHU-OAHLLOKOSA-N 2 1 281.469 3.047 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193903746 375938318 /nfs/dbraw/zinc/93/83/18/375938318.db2.gz YESSMPITCIETFE-KRWDZBQOSA-N 2 1 292.492 3.241 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(C)C ZINC000193946106 375941621 /nfs/dbraw/zinc/94/16/21/375941621.db2.gz PXRUGUOVEHZJQS-BRWVUGGUSA-N 2 1 294.483 3.043 20 0 CGADMP CC(C)COCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336845019 376007462 /nfs/dbraw/zinc/00/74/62/376007462.db2.gz MEBWZLWUATYPRU-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336845019 376007465 /nfs/dbraw/zinc/00/74/65/376007465.db2.gz MEBWZLWUATYPRU-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336845019 376007469 /nfs/dbraw/zinc/00/74/69/376007469.db2.gz MEBWZLWUATYPRU-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336845019 376007472 /nfs/dbraw/zinc/00/74/72/376007472.db2.gz MEBWZLWUATYPRU-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000336865864 376016799 /nfs/dbraw/zinc/01/67/99/376016799.db2.gz NNVYKEDCJBRVHB-UHFFFAOYSA-N 2 1 299.349 3.380 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000536652102 376109597 /nfs/dbraw/zinc/10/95/97/376109597.db2.gz GSKYHEFDJIGDNZ-MRXNPFEDSA-N 2 1 264.457 3.395 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000536853024 376137726 /nfs/dbraw/zinc/13/77/26/376137726.db2.gz TXKNUQNCJIKSSH-BBRMVZONSA-N 2 1 292.492 3.447 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(F)cc1 ZINC000221924241 376223743 /nfs/dbraw/zinc/22/37/43/376223743.db2.gz OTKLFXQUMNYTPW-ZDUSSCGKSA-N 2 1 252.377 3.207 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000221924241 376223745 /nfs/dbraw/zinc/22/37/45/376223745.db2.gz OTKLFXQUMNYTPW-ZDUSSCGKSA-N 2 1 252.377 3.207 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000221924241 376223749 /nfs/dbraw/zinc/22/37/49/376223749.db2.gz OTKLFXQUMNYTPW-ZDUSSCGKSA-N 2 1 252.377 3.207 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000221924980 376225237 /nfs/dbraw/zinc/22/52/37/376225237.db2.gz WXYIDVPWIGYDBS-SFHVURJKSA-N 2 1 290.451 3.393 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CC[C@H]1C1CCC1)C1CCCC1 ZINC000337998130 376252127 /nfs/dbraw/zinc/25/21/27/376252127.db2.gz QPKODAHJMFWBON-HOTGVXAUSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@H]1C1CCC1)C1CCCC1 ZINC000337998130 376252133 /nfs/dbraw/zinc/25/21/33/376252133.db2.gz QPKODAHJMFWBON-HOTGVXAUSA-N 2 1 250.430 3.029 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000538719929 376258929 /nfs/dbraw/zinc/25/89/29/376258929.db2.gz SMUQGSWYILNHQE-AWEZNQCLSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000538719929 376258937 /nfs/dbraw/zinc/25/89/37/376258937.db2.gz SMUQGSWYILNHQE-AWEZNQCLSA-N 2 1 278.465 3.228 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cs1 ZINC000227732706 376407400 /nfs/dbraw/zinc/40/74/00/376407400.db2.gz SGYXTMUWADQNPA-GFCCVEGCSA-N 2 1 260.834 3.207 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)cs1 ZINC000227732706 376407407 /nfs/dbraw/zinc/40/74/07/376407407.db2.gz SGYXTMUWADQNPA-GFCCVEGCSA-N 2 1 260.834 3.207 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226434884 376359420 /nfs/dbraw/zinc/35/94/20/376359420.db2.gz GINFKKILUUVAAS-KRWDZBQOSA-N 2 1 260.425 3.207 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000226436195 376360204 /nfs/dbraw/zinc/36/02/04/376360204.db2.gz ZARAXXIRGJJIIG-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@@H+](Cc1cccc(C2CC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000226449863 376361419 /nfs/dbraw/zinc/36/14/19/376361419.db2.gz GTUPWZDAOYRZDX-QGZVFWFLSA-N 2 1 258.409 3.138 20 0 CGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000226449889 376361689 /nfs/dbraw/zinc/36/16/89/376361689.db2.gz GCVUIJVUYWVCKO-KRWDZBQOSA-N 2 1 258.409 3.138 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1(C)C ZINC000540596818 376384213 /nfs/dbraw/zinc/38/42/13/376384213.db2.gz WCPABZBDAHCTTI-VVLHAWIVSA-N 2 1 294.483 3.187 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1(C)C ZINC000540596818 376384218 /nfs/dbraw/zinc/38/42/18/376384218.db2.gz WCPABZBDAHCTTI-VVLHAWIVSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000540645297 376388133 /nfs/dbraw/zinc/38/81/33/376388133.db2.gz LVXGHYSTOCEDIP-OAHLLOKOSA-N 2 1 250.430 3.054 20 0 CGADMP Clc1cc(Cl)cc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000228409306 376436859 /nfs/dbraw/zinc/43/68/59/376436859.db2.gz DEXGEOLGHLHVAK-UHFFFAOYSA-N 2 1 273.207 3.225 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000263770652 190077547 /nfs/dbraw/zinc/07/75/47/190077547.db2.gz ZUQJIMLXNBMHGQ-UHFFFAOYSA-N 2 1 260.425 3.300 20 0 CGADMP CC1CCC(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000542506917 376550371 /nfs/dbraw/zinc/55/03/71/376550371.db2.gz NAKLSWREVRZXRR-VJFUWPCTSA-N 2 1 278.484 3.476 20 0 CGADMP CC1CCC(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000542506917 376550378 /nfs/dbraw/zinc/55/03/78/376550378.db2.gz NAKLSWREVRZXRR-VJFUWPCTSA-N 2 1 278.484 3.476 20 0 CGADMP Cc1cccc([C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000543254348 376626346 /nfs/dbraw/zinc/62/63/46/376626346.db2.gz YBXASOYAEMFKAR-ZWKOTPCHSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000543254348 376626351 /nfs/dbraw/zinc/62/63/51/376626351.db2.gz YBXASOYAEMFKAR-ZWKOTPCHSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc([C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000543254348 376626358 /nfs/dbraw/zinc/62/63/58/376626358.db2.gz YBXASOYAEMFKAR-ZWKOTPCHSA-N 2 1 272.436 3.269 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC000235696747 376649506 /nfs/dbraw/zinc/64/95/06/376649506.db2.gz KCIKUIJCQZRRSR-ZJIFWQFVSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C[C@@H]1CC=CCC1)C2 ZINC000236711327 376685772 /nfs/dbraw/zinc/68/57/72/376685772.db2.gz VGDPPEMCJUBYEE-QGZVFWFLSA-N 2 1 284.447 3.381 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C[C@@H]1CC=CCC1)C2 ZINC000236711327 376685776 /nfs/dbraw/zinc/68/57/76/376685776.db2.gz VGDPPEMCJUBYEE-QGZVFWFLSA-N 2 1 284.447 3.381 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000157024206 542132234 /nfs/dbraw/zinc/13/22/34/542132234.db2.gz FHVHBRDLCNRNQG-PBHICJAKSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000157024206 542132236 /nfs/dbraw/zinc/13/22/36/542132236.db2.gz FHVHBRDLCNRNQG-PBHICJAKSA-N 2 1 276.399 3.098 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000245621266 376869528 /nfs/dbraw/zinc/86/95/28/376869528.db2.gz WSEQUBMJCFNSPC-YJBOKZPZSA-N 2 1 286.463 3.111 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000245656827 376876742 /nfs/dbraw/zinc/87/67/42/376876742.db2.gz DWNHAJKLWCALAG-XHSDSOJGSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000245656827 376876756 /nfs/dbraw/zinc/87/67/56/376876756.db2.gz DWNHAJKLWCALAG-XHSDSOJGSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000245656827 376876764 /nfs/dbraw/zinc/87/67/64/376876764.db2.gz DWNHAJKLWCALAG-XHSDSOJGSA-N 2 1 250.430 3.125 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C12CCC2 ZINC000245827473 376913529 /nfs/dbraw/zinc/91/35/29/376913529.db2.gz BCAHVRPBQVXERK-BRWVUGGUSA-N 2 1 294.483 3.044 20 0 CGADMP COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000340197186 376946683 /nfs/dbraw/zinc/94/66/83/376946683.db2.gz SDDVDNYCVFINQO-OAHLLOKOSA-N 2 1 292.467 3.430 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000246376289 377017258 /nfs/dbraw/zinc/01/72/58/377017258.db2.gz JSVRTEXWRVJADK-CABCVRRESA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC23CCCC3)CCCO1 ZINC000340369328 377023051 /nfs/dbraw/zinc/02/30/51/377023051.db2.gz HBAAJFLWTPQLPJ-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC23CCCC3)CCCO1 ZINC000340369328 377023054 /nfs/dbraw/zinc/02/30/54/377023054.db2.gz HBAAJFLWTPQLPJ-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CCc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000340372082 377025844 /nfs/dbraw/zinc/02/58/44/377025844.db2.gz LEPCHABKSPORAO-KRWDZBQOSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000340372082 377025846 /nfs/dbraw/zinc/02/58/46/377025846.db2.gz LEPCHABKSPORAO-KRWDZBQOSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000340372082 377025851 /nfs/dbraw/zinc/02/58/51/377025851.db2.gz LEPCHABKSPORAO-KRWDZBQOSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000340372082 377025854 /nfs/dbraw/zinc/02/58/54/377025854.db2.gz LEPCHABKSPORAO-KRWDZBQOSA-N 2 1 260.425 3.165 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426623 377052353 /nfs/dbraw/zinc/05/23/53/377052353.db2.gz MBJZLMQNJMUCMG-DOMZBBRYSA-N 2 1 282.378 3.228 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246901764 377115262 /nfs/dbraw/zinc/11/52/62/377115262.db2.gz RMWLQXOSUXRAGM-AZUAARDMSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246901764 377115271 /nfs/dbraw/zinc/11/52/71/377115271.db2.gz RMWLQXOSUXRAGM-AZUAARDMSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246901764 377115274 /nfs/dbraw/zinc/11/52/74/377115274.db2.gz RMWLQXOSUXRAGM-AZUAARDMSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246901764 377115280 /nfs/dbraw/zinc/11/52/80/377115280.db2.gz RMWLQXOSUXRAGM-AZUAARDMSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)no1 ZINC000340473857 377085795 /nfs/dbraw/zinc/08/57/95/377085795.db2.gz RATOYDSFPMVGAW-DZGCQCFKSA-N 2 1 279.428 3.146 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@]1(C)CCCO1 ZINC000340474499 377086638 /nfs/dbraw/zinc/08/66/38/377086638.db2.gz SLJWDUFPVUCIPM-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@]2(C)CCCO2)c1 ZINC000340476244 377089086 /nfs/dbraw/zinc/08/90/86/377089086.db2.gz HGIPXFAZDJFDTM-QAPCUYQASA-N 2 1 290.451 3.186 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247094129 377157973 /nfs/dbraw/zinc/15/79/73/377157973.db2.gz POSDLXYMLBCERN-YJBOKZPZSA-N 2 1 290.451 3.186 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000247109963 377161507 /nfs/dbraw/zinc/16/15/07/377161507.db2.gz SZPVAQPOXNZJPU-ZIAGYGMSSA-N 2 1 250.386 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000247109963 377161516 /nfs/dbraw/zinc/16/15/16/377161516.db2.gz SZPVAQPOXNZJPU-ZIAGYGMSSA-N 2 1 250.386 3.051 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000247149168 377168149 /nfs/dbraw/zinc/16/81/49/377168149.db2.gz RIRCXEMXTCMZOI-IACUBPJLSA-N 2 1 281.469 3.283 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000247243161 377184410 /nfs/dbraw/zinc/18/44/10/377184410.db2.gz ZCNQAOHVFBAZTP-SJLPKXTDSA-N 2 1 292.442 3.324 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)CC2)C1 ZINC000561467502 377228363 /nfs/dbraw/zinc/22/83/63/377228363.db2.gz CYBZGJBPFDOPLG-PCKAHOCUSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000248072700 377266206 /nfs/dbraw/zinc/26/62/06/377266206.db2.gz MPURJFPZEBPXQW-BZUAXINKSA-N 2 1 290.451 3.119 20 0 CGADMP COC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000247436704 377204964 /nfs/dbraw/zinc/20/49/64/377204964.db2.gz MTOCJPWEERAFTE-HZPDHXFCSA-N 2 1 290.451 3.186 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248186820 377275600 /nfs/dbraw/zinc/27/56/00/377275600.db2.gz XNKAWFSMXIPZJR-ZVZYQTTQSA-N 2 1 288.435 3.172 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248186820 377275605 /nfs/dbraw/zinc/27/56/05/377275605.db2.gz XNKAWFSMXIPZJR-ZVZYQTTQSA-N 2 1 288.435 3.172 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000562090544 377275844 /nfs/dbraw/zinc/27/58/44/377275844.db2.gz IZGWNFUPDYVNMX-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000562090544 377275855 /nfs/dbraw/zinc/27/58/55/377275855.db2.gz IZGWNFUPDYVNMX-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCc2ccccc21 ZINC000562187009 377281643 /nfs/dbraw/zinc/28/16/43/377281643.db2.gz QRSGFZMCTMBFTH-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCc2ccccc21 ZINC000562187009 377281650 /nfs/dbraw/zinc/28/16/50/377281650.db2.gz QRSGFZMCTMBFTH-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCc2ccccc21 ZINC000562187009 377281655 /nfs/dbraw/zinc/28/16/55/377281655.db2.gz QRSGFZMCTMBFTH-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCc2ccccc21 ZINC000562187009 377281664 /nfs/dbraw/zinc/28/16/64/377281664.db2.gz QRSGFZMCTMBFTH-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347489 377292116 /nfs/dbraw/zinc/29/21/16/377292116.db2.gz NLQPJOFQIXEASL-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347489 377292124 /nfs/dbraw/zinc/29/21/24/377292124.db2.gz NLQPJOFQIXEASL-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347489 377292129 /nfs/dbraw/zinc/29/21/29/377292129.db2.gz NLQPJOFQIXEASL-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248347489 377292135 /nfs/dbraw/zinc/29/21/35/377292135.db2.gz NLQPJOFQIXEASL-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP [NH3+]C1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CCCCCC1 ZINC000562956141 377376326 /nfs/dbraw/zinc/37/63/26/377376326.db2.gz IGZWLXNYSVTWIA-INIZCTEOSA-N 2 1 291.414 3.313 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015770 377443875 /nfs/dbraw/zinc/44/38/75/377443875.db2.gz POLOAIHAZJRPTP-YOEHRIQHSA-N 2 1 278.415 3.030 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015770 377443879 /nfs/dbraw/zinc/44/38/79/377443879.db2.gz POLOAIHAZJRPTP-YOEHRIQHSA-N 2 1 278.415 3.030 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015770 377443885 /nfs/dbraw/zinc/44/38/85/377443885.db2.gz POLOAIHAZJRPTP-YOEHRIQHSA-N 2 1 278.415 3.030 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000563351287 377446703 /nfs/dbraw/zinc/44/67/03/377446703.db2.gz YHDCJFKEGANYFM-MRXNPFEDSA-N 2 1 289.810 3.453 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000563351287 377446710 /nfs/dbraw/zinc/44/67/10/377446710.db2.gz YHDCJFKEGANYFM-MRXNPFEDSA-N 2 1 289.810 3.453 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249074261 377456814 /nfs/dbraw/zinc/45/68/14/377456814.db2.gz KJPLHZCJGKDJFT-WNRNVDISSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249074261 377456821 /nfs/dbraw/zinc/45/68/21/377456821.db2.gz KJPLHZCJGKDJFT-WNRNVDISSA-N 2 1 276.468 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000249088717 377458838 /nfs/dbraw/zinc/45/88/38/377458838.db2.gz GCOBOAIDOQJYEL-XGXHKWSGSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000249088717 377458848 /nfs/dbraw/zinc/45/88/48/377458848.db2.gz GCOBOAIDOQJYEL-XGXHKWSGSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000249376503 377494541 /nfs/dbraw/zinc/49/45/41/377494541.db2.gz OESZVQSVCZOOCM-IKGGRYGDSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092566797 249034708 /nfs/dbraw/zinc/03/47/08/249034708.db2.gz JGIJEHXBYJKQHY-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312586774 249082133 /nfs/dbraw/zinc/08/21/33/249082133.db2.gz SHGNCNDDIUTEGK-UHFFFAOYSA-N 2 1 291.247 3.406 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312586774 249082135 /nfs/dbraw/zinc/08/21/35/249082135.db2.gz SHGNCNDDIUTEGK-UHFFFAOYSA-N 2 1 291.247 3.406 20 0 CGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000315163270 249098103 /nfs/dbraw/zinc/09/81/03/249098103.db2.gz IBNOPJQABMBXSZ-OKILXGFUSA-N 2 1 298.352 3.137 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000249999572 377547038 /nfs/dbraw/zinc/54/70/38/377547038.db2.gz BOHNGWVUBWUKEE-ZACQAIPSSA-N 2 1 290.838 3.024 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250192001 377556044 /nfs/dbraw/zinc/55/60/44/377556044.db2.gz KADSILHLKRHGRK-GRAKBVBRSA-N 2 1 288.410 3.288 20 0 CGADMP CC[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000469877188 249161794 /nfs/dbraw/zinc/16/17/94/249161794.db2.gz DWQOCZIKZCBKES-BZZMCLGOSA-N 2 1 272.436 3.239 20 0 CGADMP C[N@H+](CC(C)(C)[NH3+])C1c2ccccc2-c2ccccc21 ZINC000469971221 249165067 /nfs/dbraw/zinc/16/50/67/249165067.db2.gz GCAJEVIXQHLCTE-UHFFFAOYSA-N 2 1 266.388 3.426 20 0 CGADMP C[N@@H+](CC(C)(C)[NH3+])C1c2ccccc2-c2ccccc21 ZINC000469971221 249165069 /nfs/dbraw/zinc/16/50/69/249165069.db2.gz GCAJEVIXQHLCTE-UHFFFAOYSA-N 2 1 266.388 3.426 20 0 CGADMP CC[C@@H]1C[N@H+](CC(C)(C)N)CC[C@H]1c1ccccc1 ZINC000469987878 249165199 /nfs/dbraw/zinc/16/51/99/249165199.db2.gz XOUWPGFYOAQDTF-GDBMZVCRSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@@H]1C[N@@H+](CC(C)(C)N)CC[C@H]1c1ccccc1 ZINC000469987878 249165201 /nfs/dbraw/zinc/16/52/01/249165201.db2.gz XOUWPGFYOAQDTF-GDBMZVCRSA-N 2 1 260.425 3.239 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000514871015 249192900 /nfs/dbraw/zinc/19/29/00/249192900.db2.gz PEESCKMIAWUAOJ-SFHVURJKSA-N 2 1 297.446 3.368 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000514871015 249192903 /nfs/dbraw/zinc/19/29/03/249192903.db2.gz PEESCKMIAWUAOJ-SFHVURJKSA-N 2 1 297.446 3.368 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251295796 377580425 /nfs/dbraw/zinc/58/04/25/377580425.db2.gz XELZYBKDZJOLFA-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251343414 377580519 /nfs/dbraw/zinc/58/05/19/377580519.db2.gz MNORVTFBSXAJJO-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP C(CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251425248 377582342 /nfs/dbraw/zinc/58/23/42/377582342.db2.gz STLJZSAHQXBKAO-HOTGVXAUSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000515593299 249216208 /nfs/dbraw/zinc/21/62/08/249216208.db2.gz YUCPFZHBDCUWLZ-LJQANCHMSA-N 2 1 286.463 3.249 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000518558557 249283375 /nfs/dbraw/zinc/28/33/75/249283375.db2.gz YIBDAEZRYKPPEJ-DZGCQCFKSA-N 2 1 270.376 3.258 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000518558557 249283377 /nfs/dbraw/zinc/28/33/77/249283377.db2.gz YIBDAEZRYKPPEJ-DZGCQCFKSA-N 2 1 270.376 3.258 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000517755431 249270802 /nfs/dbraw/zinc/27/08/02/249270802.db2.gz XOWSCUIWUSYQTJ-LJQANCHMSA-N 2 1 297.446 3.406 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000517755431 249270804 /nfs/dbraw/zinc/27/08/04/249270804.db2.gz XOWSCUIWUSYQTJ-LJQANCHMSA-N 2 1 297.446 3.406 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251690751 377595503 /nfs/dbraw/zinc/59/55/03/377595503.db2.gz IHIXETOVECPGDM-JTNHKYCSSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251690751 377595518 /nfs/dbraw/zinc/59/55/18/377595518.db2.gz IHIXETOVECPGDM-JTNHKYCSSA-N 2 1 252.789 3.070 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000573950954 377598156 /nfs/dbraw/zinc/59/81/56/377598156.db2.gz FBNLXNURXGCIIP-RBUKOAKNSA-N 2 1 295.430 3.498 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1C ZINC000251946480 377605020 /nfs/dbraw/zinc/60/50/20/377605020.db2.gz WKQHSYRVVUZZFO-LEOABGAYSA-N 2 1 250.430 3.028 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000564252115 322024487 /nfs/dbraw/zinc/02/44/87/322024487.db2.gz NSXJKSHDWVPMGW-WFASDCNBSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000181481764 542218273 /nfs/dbraw/zinc/21/82/73/542218273.db2.gz BBAMROBYKPPTEF-RHSMWYFYSA-N 2 1 260.425 3.384 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252513450 377635543 /nfs/dbraw/zinc/63/55/43/377635543.db2.gz QUXNJLCNBOSJNN-GQGLESIBSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000252646862 377644655 /nfs/dbraw/zinc/64/46/55/377644655.db2.gz SOVQROBWRDGQRM-YUTCNCBUSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000252646862 377644658 /nfs/dbraw/zinc/64/46/58/377644658.db2.gz SOVQROBWRDGQRM-YUTCNCBUSA-N 2 1 280.362 3.242 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000252666894 377647819 /nfs/dbraw/zinc/64/78/19/377647819.db2.gz CJDPGCXGUZLCIP-OLZOCXBDSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000252666894 377647829 /nfs/dbraw/zinc/64/78/29/377647829.db2.gz CJDPGCXGUZLCIP-OLZOCXBDSA-N 2 1 282.790 3.196 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000252709333 377652649 /nfs/dbraw/zinc/65/26/49/377652649.db2.gz CQQWSECZKBCDPD-VOAKCMCISA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000252709333 377652653 /nfs/dbraw/zinc/65/26/53/377652653.db2.gz CQQWSECZKBCDPD-VOAKCMCISA-N 2 1 278.362 3.037 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252789998 377664634 /nfs/dbraw/zinc/66/46/34/377664634.db2.gz YLAMYCILCHAIRE-DMDPSCGWSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000574812430 377713472 /nfs/dbraw/zinc/71/34/72/377713472.db2.gz DIALULPUDPJBOD-AEFFLSMTSA-N 2 1 272.436 3.256 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000574924453 377725359 /nfs/dbraw/zinc/72/53/59/377725359.db2.gz NUFFDSXKWJZUIA-KRWDZBQOSA-N 2 1 299.418 3.198 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000574924453 377725365 /nfs/dbraw/zinc/72/53/65/377725365.db2.gz NUFFDSXKWJZUIA-KRWDZBQOSA-N 2 1 299.418 3.198 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574998024 377737232 /nfs/dbraw/zinc/73/72/32/377737232.db2.gz WTWFEQXJFAGYBI-YVSFHVDLSA-N 2 1 282.472 3.187 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574998024 377737237 /nfs/dbraw/zinc/73/72/37/377737237.db2.gz WTWFEQXJFAGYBI-YVSFHVDLSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000574796618 377709389 /nfs/dbraw/zinc/70/93/89/377709389.db2.gz IWKXTXCTFLKMOM-KBMXLJTQSA-N 2 1 278.465 3.095 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000574796618 377709401 /nfs/dbraw/zinc/70/94/01/377709401.db2.gz IWKXTXCTFLKMOM-KBMXLJTQSA-N 2 1 278.465 3.095 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC3(C)C)CC2)[nH+]1 ZINC000342714543 377750757 /nfs/dbraw/zinc/75/07/57/377750757.db2.gz VYIVSEUTBIOZDK-OAHLLOKOSA-N 2 1 273.424 3.137 20 0 CGADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000342717639 377754357 /nfs/dbraw/zinc/75/43/57/377754357.db2.gz ADSLIYOAZYBBKD-ZWKOTPCHSA-N 2 1 294.483 3.001 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000255545458 377765188 /nfs/dbraw/zinc/76/51/88/377765188.db2.gz DXCTYNHNPDKSRB-ARJAWSKDSA-N 2 1 276.399 3.113 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000258988161 377802791 /nfs/dbraw/zinc/80/27/91/377802791.db2.gz MLKJFRIJPQXNGN-UHFFFAOYSA-N 2 1 254.377 3.024 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261565694 377818397 /nfs/dbraw/zinc/81/83/97/377818397.db2.gz HXXDTFXEIGGGET-HNNXBMFYSA-N 2 1 252.446 3.134 20 0 CGADMP CC[N@@H+](C[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000261994122 377876468 /nfs/dbraw/zinc/87/64/68/377876468.db2.gz SSIRUBKUGQTDGG-PBHICJAKSA-N 2 1 278.415 3.393 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000261995789 377877787 /nfs/dbraw/zinc/87/77/87/377877787.db2.gz KSMSPKLZROGWMM-IAGOWNOFSA-N 2 1 260.425 3.459 20 0 CGADMP CC(C)C[C@H]1CCCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262056564 377884046 /nfs/dbraw/zinc/88/40/46/377884046.db2.gz QTCRLYYSMYDMHY-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1ccc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262257882 377892403 /nfs/dbraw/zinc/89/24/03/377892403.db2.gz QXQOLYLDASQZOO-KRWDZBQOSA-N 2 1 276.399 3.352 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261823156 377857302 /nfs/dbraw/zinc/85/73/02/377857302.db2.gz INXCCGLMKONKSX-YRGRVCCFSA-N 2 1 266.816 3.113 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccn2)cc1 ZINC000578082874 378035912 /nfs/dbraw/zinc/03/59/12/378035912.db2.gz BPYQTQQZKWOIFO-SCTDSRPQSA-N 2 1 295.430 3.339 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343609762 378039338 /nfs/dbraw/zinc/03/93/38/378039338.db2.gz HOXRIPQIPQMTSZ-KGLIPLIRSA-N 2 1 291.464 3.127 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343609762 378039342 /nfs/dbraw/zinc/03/93/42/378039342.db2.gz HOXRIPQIPQMTSZ-KGLIPLIRSA-N 2 1 291.464 3.127 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000268908508 378148930 /nfs/dbraw/zinc/14/89/30/378148930.db2.gz YIRXVHIRNFAVPK-MRXNPFEDSA-N 2 1 275.371 3.462 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000579854831 378203476 /nfs/dbraw/zinc/20/34/76/378203476.db2.gz MKGXXJFOBNJTQQ-TZMCWYRMSA-N 2 1 287.432 3.122 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000579854831 378203477 /nfs/dbraw/zinc/20/34/77/378203477.db2.gz MKGXXJFOBNJTQQ-TZMCWYRMSA-N 2 1 287.432 3.122 20 0 CGADMP CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000579887008 378204634 /nfs/dbraw/zinc/20/46/34/378204634.db2.gz KZBIRLPUDODAFX-QWHCGFSZSA-N 2 1 281.469 3.039 20 0 CGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000345189379 378219151 /nfs/dbraw/zinc/21/91/51/378219151.db2.gz MQQIRDRXBMZEIF-KRWDZBQOSA-N 2 1 260.425 3.267 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1OC ZINC000344098284 378159343 /nfs/dbraw/zinc/15/93/43/378159343.db2.gz JCLZAZZWNSLYLY-BRWVUGGUSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000579473292 378164044 /nfs/dbraw/zinc/16/40/44/378164044.db2.gz OQVDXTDTOCMBGE-INIZCTEOSA-N 2 1 293.480 3.362 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000579473292 378164050 /nfs/dbraw/zinc/16/40/50/378164050.db2.gz OQVDXTDTOCMBGE-INIZCTEOSA-N 2 1 293.480 3.362 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000579488880 378166127 /nfs/dbraw/zinc/16/61/27/378166127.db2.gz YVUWTNAQDCVSFG-VYDXJSESSA-N 2 1 260.425 3.067 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000344829231 378178373 /nfs/dbraw/zinc/17/83/73/378178373.db2.gz NKNSDSQJIDYUIH-ZBFHGGJFSA-N 2 1 264.413 3.270 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc1SC ZINC000269053281 378180600 /nfs/dbraw/zinc/18/06/00/378180600.db2.gz WEELJISUVNWADN-OLZOCXBDSA-N 2 1 296.480 3.408 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000580707872 378251031 /nfs/dbraw/zinc/25/10/31/378251031.db2.gz WMBPPUJYUOOGFI-LAQRGFTBSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000580707872 378251038 /nfs/dbraw/zinc/25/10/38/378251038.db2.gz WMBPPUJYUOOGFI-LAQRGFTBSA-N 2 1 274.452 3.497 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000583558596 378330347 /nfs/dbraw/zinc/33/03/47/378330347.db2.gz VHZRNUMSVMTFPO-CHWSQXEVSA-N 2 1 298.833 3.342 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000583572503 378332597 /nfs/dbraw/zinc/33/25/97/378332597.db2.gz LGCPLKUGKLYMCI-HNNXBMFYSA-N 2 1 275.421 3.251 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000583572503 378332601 /nfs/dbraw/zinc/33/26/01/378332601.db2.gz LGCPLKUGKLYMCI-HNNXBMFYSA-N 2 1 275.421 3.251 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000583746903 378342483 /nfs/dbraw/zinc/34/24/83/378342483.db2.gz PVNMCHGVMNKPJJ-AWEZNQCLSA-N 2 1 278.444 3.037 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)CC1 ZINC000584447487 378385381 /nfs/dbraw/zinc/38/53/81/378385381.db2.gz XFRODSPQVNJRAD-INIZCTEOSA-N 2 1 283.419 3.151 20 0 CGADMP CC(C)[C@@H]1CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000346173622 378489240 /nfs/dbraw/zinc/48/92/40/378489240.db2.gz KKSHXTBZKZQXRU-AWEZNQCLSA-N 2 1 261.394 3.164 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000346206807 378503999 /nfs/dbraw/zinc/50/39/99/378503999.db2.gz QXMIKOSRMMCCLM-INIZCTEOSA-N 2 1 298.434 3.444 20 0 CGADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271904016 378511432 /nfs/dbraw/zinc/51/14/32/378511432.db2.gz WCSHUELDYVTRBS-SCLBCKFNSA-N 2 1 288.410 3.301 20 0 CGADMP CCCCO[C@@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346325798 378544780 /nfs/dbraw/zinc/54/47/80/378544780.db2.gz MBQDAUQIHFABIQ-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346325798 378544784 /nfs/dbraw/zinc/54/47/84/378544784.db2.gz MBQDAUQIHFABIQ-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3ccccc3)CCC2)CC1 ZINC000272049588 378553228 /nfs/dbraw/zinc/55/32/28/378553228.db2.gz MWFSLDKAKXMUEP-UHFFFAOYSA-N 2 1 258.409 3.140 20 0 CGADMP C[C@@H](NCc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272166854 378576375 /nfs/dbraw/zinc/57/63/75/378576375.db2.gz HAXFHGXBCQXCTM-NVXWUHKLSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@@H]([NH2+]Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272166854 378576378 /nfs/dbraw/zinc/57/63/78/378576378.db2.gz HAXFHGXBCQXCTM-NVXWUHKLSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@@H]([NH2+]Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272166854 378576389 /nfs/dbraw/zinc/57/63/89/378576389.db2.gz HAXFHGXBCQXCTM-NVXWUHKLSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC[C@@H]2CCO2)C1 ZINC000637978350 378655558 /nfs/dbraw/zinc/65/55/58/378655558.db2.gz NUTTWYUVQPEOSU-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000637978350 378655562 /nfs/dbraw/zinc/65/55/62/378655562.db2.gz NUTTWYUVQPEOSU-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000637978350 378655566 /nfs/dbraw/zinc/65/55/66/378655566.db2.gz NUTTWYUVQPEOSU-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1Cl ZINC000346648889 378661483 /nfs/dbraw/zinc/66/14/83/378661483.db2.gz BPUCAQJMAKREPB-UHFFFAOYSA-N 2 1 254.805 3.065 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346662183 378666487 /nfs/dbraw/zinc/66/64/87/378666487.db2.gz WIBWFNWLCHTQJF-OLZOCXBDSA-N 2 1 266.816 3.126 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346680815 378673701 /nfs/dbraw/zinc/67/37/01/378673701.db2.gz MTBPUVMOJYHVCY-GDBMZVCRSA-N 2 1 276.424 3.035 20 0 CGADMP C[N@H+](Cc1cnc(-c2ccccc2)s1)CC(C)(C)C[NH3+] ZINC000346686779 378674046 /nfs/dbraw/zinc/67/40/46/378674046.db2.gz UHJMDORDGIKLDY-UHFFFAOYSA-N 2 1 289.448 3.227 20 0 CGADMP C[N@@H+](Cc1cnc(-c2ccccc2)s1)CC(C)(C)C[NH3+] ZINC000346686779 378674051 /nfs/dbraw/zinc/67/40/51/378674051.db2.gz UHJMDORDGIKLDY-UHFFFAOYSA-N 2 1 289.448 3.227 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000346690201 378677446 /nfs/dbraw/zinc/67/74/46/378677446.db2.gz STZSNEMBVGINJP-GHMZBOCLSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000346690201 378677452 /nfs/dbraw/zinc/67/74/52/378677452.db2.gz STZSNEMBVGINJP-GHMZBOCLSA-N 2 1 293.461 3.041 20 0 CGADMP COc1ccc([C@@H](C)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346693748 378678118 /nfs/dbraw/zinc/67/81/18/378678118.db2.gz PKSPOXKADWFNSE-WMLDXEAASA-N 2 1 278.440 3.104 20 0 CGADMP CSc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000272938793 378726637 /nfs/dbraw/zinc/72/66/37/378726637.db2.gz RQLBSDFVZMEFIB-UHFFFAOYSA-N 2 1 289.448 3.436 20 0 CGADMP CSc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000272938793 378726641 /nfs/dbraw/zinc/72/66/41/378726641.db2.gz RQLBSDFVZMEFIB-UHFFFAOYSA-N 2 1 289.448 3.436 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000638302420 378761244 /nfs/dbraw/zinc/76/12/44/378761244.db2.gz VBGYONSSZXOGPP-BCDXTJNWSA-N 2 1 284.447 3.287 20 0 CGADMP CCC[NH+]1CCC([NH2+]C2(c3ccccc3)CC2)CC1 ZINC000346732852 218001785 /nfs/dbraw/zinc/00/17/85/218001785.db2.gz NYFQNZVZNGMFSH-UHFFFAOYSA-N 2 1 258.409 3.140 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348086345 378785089 /nfs/dbraw/zinc/78/50/89/378785089.db2.gz YXOJACREUJCRRT-HOTGVXAUSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348086345 378785092 /nfs/dbraw/zinc/78/50/92/378785092.db2.gz YXOJACREUJCRRT-HOTGVXAUSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348086345 378785096 /nfs/dbraw/zinc/78/50/96/378785096.db2.gz YXOJACREUJCRRT-HOTGVXAUSA-N 2 1 260.425 3.472 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000348100611 378791992 /nfs/dbraw/zinc/79/19/92/378791992.db2.gz FIJCJTIAGSKEBU-IAGOWNOFSA-N 2 1 260.425 3.287 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000348136455 378807993 /nfs/dbraw/zinc/80/79/93/378807993.db2.gz NNKYSSNMKKUKQB-KEYYUXOJSA-N 2 1 299.418 3.399 20 0 CGADMP Cc1cc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)oc2cc1C ZINC000346827938 218027153 /nfs/dbraw/zinc/02/71/53/218027153.db2.gz MXXANCRAONFCQA-XKQJLSEDSA-N 2 1 284.403 3.219 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@@H]21 ZINC000346838321 218030998 /nfs/dbraw/zinc/03/09/98/218030998.db2.gz WXUXOUYLEZDLQT-VNQPRFMTSA-N 2 1 286.444 3.461 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346836825 218031167 /nfs/dbraw/zinc/03/11/67/218031167.db2.gz VRJZBSHRQKDIEE-JQHSSLGASA-N 2 1 288.435 3.035 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638588490 378843207 /nfs/dbraw/zinc/84/32/07/378843207.db2.gz LXANGBGRDZVCQH-CQSZACIVSA-N 2 1 262.441 3.341 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Cl ZINC000346849804 218035756 /nfs/dbraw/zinc/03/57/56/218035756.db2.gz SKHLMZJKOZYHNR-DZKIICNBSA-N 2 1 278.827 3.208 20 0 CGADMP CCSc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000274465488 378837844 /nfs/dbraw/zinc/83/78/44/378837844.db2.gz UFUYPJYCAWIIBK-UHFFFAOYSA-N 2 1 289.448 3.483 20 0 CGADMP Cc1nc(F)ccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000278524493 194025866 /nfs/dbraw/zinc/02/58/66/194025866.db2.gz QSRKWPYRMZINOM-UHFFFAOYSA-N 2 1 291.414 3.026 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278509256 194018657 /nfs/dbraw/zinc/01/86/57/194018657.db2.gz MBHUJSJIKCRRDB-LSDHHAIUSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278509256 194018659 /nfs/dbraw/zinc/01/86/59/194018659.db2.gz MBHUJSJIKCRRDB-LSDHHAIUSA-N 2 1 296.480 3.208 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347004652 218088326 /nfs/dbraw/zinc/08/83/26/218088326.db2.gz AIVBGFXYYVYJLS-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000346993875 218083425 /nfs/dbraw/zinc/08/34/25/218083425.db2.gz AWNMDLKLIYEXGM-TZMCWYRMSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000346993875 218083428 /nfs/dbraw/zinc/08/34/28/218083428.db2.gz AWNMDLKLIYEXGM-TZMCWYRMSA-N 2 1 293.480 3.360 20 0 CGADMP CC[NH2+]CC1CC[NH+](Cc2ncc(C(C)C)s2)CC1 ZINC000347031234 218099285 /nfs/dbraw/zinc/09/92/85/218099285.db2.gz YPUYBIIBHLWVFL-UHFFFAOYSA-N 2 1 281.469 3.088 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC000275500556 378956801 /nfs/dbraw/zinc/95/68/01/378956801.db2.gz JOWPYOXVOOZINT-RYQLBKOJSA-N 2 1 295.430 3.371 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000275640124 378958998 /nfs/dbraw/zinc/95/89/98/378958998.db2.gz VEPFJOBFSDABSF-KBAYOESNSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000347014312 218093371 /nfs/dbraw/zinc/09/33/71/218093371.db2.gz WRINDRNSLODMLG-RYRKJORJSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000348532706 378979834 /nfs/dbraw/zinc/97/98/34/378979834.db2.gz IEUCCKCKGLPPOY-LBTNJELSSA-N 2 1 299.418 3.124 20 0 CGADMP Cc1cc([C@@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)ccc1F ZINC000276698713 378982191 /nfs/dbraw/zinc/98/21/91/378982191.db2.gz UAMWVYNPRSXJPR-KRWDZBQOSA-N 2 1 287.382 3.151 20 0 CGADMP CC(C)c1nc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cs1 ZINC000370167759 378990552 /nfs/dbraw/zinc/99/05/52/378990552.db2.gz URFUIDWDKMDKLM-GFCCVEGCSA-N 2 1 290.436 3.369 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cs1 ZINC000370167759 378990563 /nfs/dbraw/zinc/99/05/63/378990563.db2.gz URFUIDWDKMDKLM-GFCCVEGCSA-N 2 1 290.436 3.369 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1C)C1CC[NH2+]CC1 ZINC000347183520 218147698 /nfs/dbraw/zinc/14/76/98/218147698.db2.gz XNOXOFBGZLEGLC-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP Cc1cc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)oc1C ZINC000370306620 379005125 /nfs/dbraw/zinc/00/51/25/379005125.db2.gz WOTBHZHFVWONCR-CFVMTHIKSA-N 2 1 262.397 3.174 20 0 CGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000347173366 218144585 /nfs/dbraw/zinc/14/45/85/218144585.db2.gz OLRGNMFBMFQEOK-AWEZNQCLSA-N 2 1 284.378 3.273 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000347173366 218144587 /nfs/dbraw/zinc/14/45/87/218144587.db2.gz OLRGNMFBMFQEOK-AWEZNQCLSA-N 2 1 284.378 3.273 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)CC1 ZINC000277122529 379074495 /nfs/dbraw/zinc/07/44/95/379074495.db2.gz HXVWOWPRXFWKAD-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)CC1 ZINC000277122529 379074497 /nfs/dbraw/zinc/07/44/97/379074497.db2.gz HXVWOWPRXFWKAD-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277390259 379146937 /nfs/dbraw/zinc/14/69/37/379146937.db2.gz YWABGRUAPWNTIV-CJNGLKHVSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277390259 379146942 /nfs/dbraw/zinc/14/69/42/379146942.db2.gz YWABGRUAPWNTIV-CJNGLKHVSA-N 2 1 264.388 3.303 20 0 CGADMP CC(C)=CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278900926 194203563 /nfs/dbraw/zinc/20/35/63/194203563.db2.gz PGWAARJQSIXHIA-UHFFFAOYSA-N 2 1 273.424 3.365 20 0 CGADMP Cc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)cc[nH+]1 ZINC000278503164 379398529 /nfs/dbraw/zinc/39/85/29/379398529.db2.gz QSCIGPBTQHRKPJ-UHFFFAOYSA-N 2 1 283.375 3.141 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000349988581 379470186 /nfs/dbraw/zinc/47/01/86/379470186.db2.gz FGHLHYLKIRVVKT-WMZOPIPTSA-N 2 1 272.436 3.206 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000349988581 379470193 /nfs/dbraw/zinc/47/01/93/379470193.db2.gz FGHLHYLKIRVVKT-WMZOPIPTSA-N 2 1 272.436 3.206 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C)cc1 ZINC000639567465 379478732 /nfs/dbraw/zinc/47/87/32/379478732.db2.gz QDRWWXQDQIADHV-JJRVBVJISA-N 2 1 299.418 3.256 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682692 379545482 /nfs/dbraw/zinc/54/54/82/379545482.db2.gz JQDWALDLWMDEHS-OAHLLOKOSA-N 2 1 299.393 3.494 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681711 379545887 /nfs/dbraw/zinc/54/58/87/379545887.db2.gz CFTIWTQFNDPTMQ-XBXARRHUSA-N 2 1 293.414 3.307 20 0 CGADMP CCCC[N@@H+](C)CC1CCN(Cc2nccs2)CC1 ZINC000350178680 379525501 /nfs/dbraw/zinc/52/55/01/379525501.db2.gz ZZYHICNMRZBFQK-UHFFFAOYSA-N 2 1 281.469 3.087 20 0 CGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nccs2)CC1 ZINC000350178680 379525504 /nfs/dbraw/zinc/52/55/04/379525504.db2.gz ZZYHICNMRZBFQK-UHFFFAOYSA-N 2 1 281.469 3.087 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nccs2)CC1 ZINC000350178680 379525511 /nfs/dbraw/zinc/52/55/11/379525511.db2.gz ZZYHICNMRZBFQK-UHFFFAOYSA-N 2 1 281.469 3.087 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+](C)C ZINC000376584911 379584609 /nfs/dbraw/zinc/58/46/09/379584609.db2.gz DGBQIRMEGVJBGN-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000639755177 379569254 /nfs/dbraw/zinc/56/92/54/379569254.db2.gz HIRHFTQQAZDROG-INIZCTEOSA-N 2 1 262.441 3.293 20 0 CGADMP C(C[NH+]1CCCCC1)C[NH+]1CCC2(CCSCC2)CC1 ZINC000639983871 379674791 /nfs/dbraw/zinc/67/47/91/379674791.db2.gz ZAAYSBLUGSYLLS-UHFFFAOYSA-N 2 1 296.524 3.472 20 0 CGADMP CC(C)C[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000267254654 190315424 /nfs/dbraw/zinc/31/54/24/190315424.db2.gz JDKRMQZKUTZOFP-UHFFFAOYSA-N 2 1 267.804 3.267 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000377803789 379743638 /nfs/dbraw/zinc/74/36/38/379743638.db2.gz ZVKPKVYZNCOJJP-IXYNUQLISA-N 2 1 275.440 3.317 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000125227198 535456697 /nfs/dbraw/zinc/45/66/97/535456697.db2.gz HYUSOUVOAUFDCC-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000125227198 535456701 /nfs/dbraw/zinc/45/67/01/535456701.db2.gz HYUSOUVOAUFDCC-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC1 ZINC000280817268 379798980 /nfs/dbraw/zinc/79/89/80/379798980.db2.gz MVNKQSGHSSBVMR-JCNLHEQBSA-N 2 1 258.409 3.007 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCCC[C@H]3CC[NH3+])cc2c1 ZINC000352536094 379846511 /nfs/dbraw/zinc/84/65/11/379846511.db2.gz ZGSZIFWBHHRNAJ-AWEZNQCLSA-N 2 1 288.391 3.145 20 0 CGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352535225 379846632 /nfs/dbraw/zinc/84/66/32/379846632.db2.gz OADVVVLZNWBCFG-GDBMZVCRSA-N 2 1 276.424 3.002 20 0 CGADMP C[C@@H](c1ccncc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530364 379820219 /nfs/dbraw/zinc/82/02/19/379820219.db2.gz DBQHFITZZBOPHC-INIZCTEOSA-N 2 1 275.440 3.341 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1C ZINC000352713245 379919841 /nfs/dbraw/zinc/91/98/41/379919841.db2.gz RKSPAFVYIHNULU-MCIONIFRSA-N 2 1 295.496 3.367 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000388011574 379880580 /nfs/dbraw/zinc/88/05/80/379880580.db2.gz NMHUAOITRTXODZ-MSOLQXFVSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1C ZINC000279026136 194254440 /nfs/dbraw/zinc/25/44/40/194254440.db2.gz VPTWSMDQJBURKQ-HZPDHXFCSA-N 2 1 283.419 3.413 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352740471 379932507 /nfs/dbraw/zinc/93/25/07/379932507.db2.gz XOLARAJAIDHSFO-UHFFFAOYSA-N 2 1 290.838 3.438 20 0 CGADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000352760682 379944048 /nfs/dbraw/zinc/94/40/48/379944048.db2.gz RDVPMNGOPHDIIQ-LBPRGKRZSA-N 2 1 269.458 3.119 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)s1 ZINC000352760948 379944568 /nfs/dbraw/zinc/94/45/68/379944568.db2.gz BTSANFNQBNKVOD-MGPQQGTHSA-N 2 1 293.480 3.263 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000352860242 380009989 /nfs/dbraw/zinc/00/99/89/380009989.db2.gz AALOLYDHQOESJY-SZMVWBNQSA-N 2 1 294.483 3.069 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000641717484 380058887 /nfs/dbraw/zinc/05/88/87/380058887.db2.gz BZNAUOWOGFMLIM-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP c1ccc(C2CC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000283391332 380060478 /nfs/dbraw/zinc/06/04/78/380060478.db2.gz PPNHZTSGBNJWHH-AWRGBYNESA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641732666 380067998 /nfs/dbraw/zinc/06/79/98/380067998.db2.gz JRVIDCIZTHNSLT-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP COc1ccc(F)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000267890657 190361011 /nfs/dbraw/zinc/36/10/11/190361011.db2.gz UCINLALMWLWPQN-UHFFFAOYSA-N 2 1 294.414 3.233 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000353157283 380145397 /nfs/dbraw/zinc/14/53/97/380145397.db2.gz VAJYFJDJKMJGCD-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000353157283 380145404 /nfs/dbraw/zinc/14/54/04/380145404.db2.gz VAJYFJDJKMJGCD-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000353157283 380145406 /nfs/dbraw/zinc/14/54/06/380145406.db2.gz VAJYFJDJKMJGCD-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000414176974 380199257 /nfs/dbraw/zinc/19/92/57/380199257.db2.gz IPRADDWXMPCJMW-PMPSAXMXSA-N 2 1 270.436 3.226 20 0 CGADMP Cc1occc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414430421 380231590 /nfs/dbraw/zinc/23/15/90/380231590.db2.gz JNCLQRRAJSPDGC-UHFFFAOYSA-N 2 1 299.418 3.331 20 0 CGADMP Cc1occc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414430908 380231982 /nfs/dbraw/zinc/23/19/82/380231982.db2.gz MXSUYTAVHIPKFU-BBRMVZONSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1occc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000414430908 380231988 /nfs/dbraw/zinc/23/19/88/380231988.db2.gz MXSUYTAVHIPKFU-BBRMVZONSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502017 380325202 /nfs/dbraw/zinc/32/52/02/380325202.db2.gz VWUHKHNYQLBPBM-ROUUACIJSA-N 2 1 272.436 3.048 20 0 CGADMP Clc1ccc([C@H]2CC[C@@H]([NH2+]CC[NH2+]C3CC3)C2)cc1 ZINC000643508022 380332457 /nfs/dbraw/zinc/33/24/57/380332457.db2.gz ZWKTYFGGJDOLHP-XJKSGUPXSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)n1 ZINC000643511398 380334045 /nfs/dbraw/zinc/33/40/45/380334045.db2.gz BPHYOCRUCZDAHZ-YOEHRIQHSA-N 2 1 275.440 3.257 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)Cc1cccs1 ZINC000643514342 380336340 /nfs/dbraw/zinc/33/63/40/380336340.db2.gz JRTBACUBMHKEMP-STQMWFEESA-N 2 1 254.443 3.176 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414679559 380369655 /nfs/dbraw/zinc/36/96/55/380369655.db2.gz LROXEQRZQKCXDO-FRRDWIJNSA-N 2 1 282.378 3.346 20 0 CGADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000414696904 380377891 /nfs/dbraw/zinc/37/78/91/380377891.db2.gz WENDYTXXFSOFLW-QGZVFWFLSA-N 2 1 254.377 3.326 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)CC[NH2+]1 ZINC000414708371 380383949 /nfs/dbraw/zinc/38/39/49/380383949.db2.gz NSZUBWSADXGODJ-UPJWGTAASA-N 2 1 294.389 3.272 20 0 CGADMP CC[N@@H+](C[C@@H](C)Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000414713458 380385719 /nfs/dbraw/zinc/38/57/19/380385719.db2.gz KQHJRFKZDAXERK-FUHWJXTLSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414742287 380391077 /nfs/dbraw/zinc/39/10/77/380391077.db2.gz FZOFUSIYSZWDJS-JKSUJKDBSA-N 2 1 260.425 3.123 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000643528400 380344365 /nfs/dbraw/zinc/34/43/65/380344365.db2.gz IUYNQGJQRVRQSJ-KBPBESRZSA-N 2 1 254.377 3.351 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414652189 380352901 /nfs/dbraw/zinc/35/29/01/380352901.db2.gz GKGCSJHXWGVWOV-FQEVSTJZSA-N 2 1 294.442 3.121 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414652189 380352905 /nfs/dbraw/zinc/35/29/05/380352905.db2.gz GKGCSJHXWGVWOV-FQEVSTJZSA-N 2 1 294.442 3.121 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547349 380361823 /nfs/dbraw/zinc/36/18/23/380361823.db2.gz DFIFAUXKSQMUAI-LRDDRELGSA-N 2 1 292.373 3.216 20 0 CGADMP CC(C)[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000414671726 380363385 /nfs/dbraw/zinc/36/33/85/380363385.db2.gz OGQOFGOVSZMKMH-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(F)cc3cccnc32)CCCCC1 ZINC000414844519 380449648 /nfs/dbraw/zinc/44/96/48/380449648.db2.gz PRWZSTIFBSHNQE-UHFFFAOYSA-N 2 1 287.382 3.125 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Cl ZINC000414772595 380398002 /nfs/dbraw/zinc/39/80/02/380398002.db2.gz UWDSVFDUSJVCOA-GASCZTMLSA-N 2 1 278.827 3.080 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414780924 380401028 /nfs/dbraw/zinc/40/10/28/380401028.db2.gz MDOKVWWUNCPCKB-KBPBESRZSA-N 2 1 293.480 3.088 20 0 CGADMP Clc1sccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782791 380402501 /nfs/dbraw/zinc/40/25/01/380402501.db2.gz OVPPUXPVKBYXTH-VXGBXAGGSA-N 2 1 284.856 3.223 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787631 380405186 /nfs/dbraw/zinc/40/51/86/380405186.db2.gz VQSXDMHLIVLDIC-LQIFBCGMSA-N 2 1 270.420 3.021 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414806405 380418710 /nfs/dbraw/zinc/41/87/10/380418710.db2.gz QETYRIHACIWSJF-IBGZPJMESA-N 2 1 296.414 3.093 20 0 CGADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414807256 380419663 /nfs/dbraw/zinc/41/96/63/380419663.db2.gz NUHRJQHPBSVMOX-OTYXRUKQSA-N 2 1 287.234 3.251 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414806776 380420957 /nfs/dbraw/zinc/42/09/57/380420957.db2.gz QHMOKHFLEMVACI-UHFFFAOYSA-N 2 1 284.403 3.189 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414918459 380487265 /nfs/dbraw/zinc/48/72/65/380487265.db2.gz ULTNMJXCVBFCOC-MRXNPFEDSA-N 2 1 296.842 3.218 20 0 CGADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H](C)C[NH3+] ZINC000414926407 380491389 /nfs/dbraw/zinc/49/13/89/380491389.db2.gz KLQHMRGWECRMNX-IUODEOHRSA-N 2 1 268.832 3.234 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414932356 380492942 /nfs/dbraw/zinc/49/29/42/380492942.db2.gz QYAVWIBFQJDHRT-KUQKPQIMSA-N 2 1 272.436 3.300 20 0 CGADMP Cc1ccc(-c2cccc(C[NH2+][C@@H](C)C[NH3+])c2)cc1 ZINC000414936099 380495164 /nfs/dbraw/zinc/49/51/64/380495164.db2.gz BQIBEAOSVYLQBH-AWEZNQCLSA-N 2 1 254.377 3.099 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+][C@@H](C)C[NH3+])c1 ZINC000414945636 380502118 /nfs/dbraw/zinc/50/21/18/380502118.db2.gz QUQCZDHAJBSCTB-AWEZNQCLSA-N 2 1 254.377 3.099 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)CC[NH2+]1 ZINC000414946443 380502723 /nfs/dbraw/zinc/50/27/23/380502723.db2.gz JNWQTNQBIBGUMX-ZFWWWQNUSA-N 2 1 270.376 3.177 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000415059109 380507350 /nfs/dbraw/zinc/50/73/50/380507350.db2.gz WPDKCPRJHBCSBC-OALUTQOASA-N 2 1 284.447 3.139 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415068959 380507817 /nfs/dbraw/zinc/50/78/17/380507817.db2.gz RWYPLXKUDZUQHW-GUYCJALGSA-N 2 1 278.415 3.254 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)c(C)s1 ZINC000415126714 380508894 /nfs/dbraw/zinc/50/88/94/380508894.db2.gz UYODWUJLKHEDHO-YPMHNXCESA-N 2 1 254.443 3.389 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414873460 380468179 /nfs/dbraw/zinc/46/81/79/380468179.db2.gz XOGGYUGBPHOUMV-IAGOWNOFSA-N 2 1 260.425 3.130 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@H](CC3CC3)C2)cn1 ZINC000354525744 380470650 /nfs/dbraw/zinc/47/06/50/380470650.db2.gz KWBPCAFGOJPFOH-QGZVFWFLSA-N 2 1 258.409 3.445 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000414895205 380478022 /nfs/dbraw/zinc/47/80/22/380478022.db2.gz MWTHHVBVSCGSMF-INIZCTEOSA-N 2 1 272.417 3.242 20 0 CGADMP C[C@H](CC[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC000355330408 380644900 /nfs/dbraw/zinc/64/49/00/380644900.db2.gz XAPCQFARXLZIGB-OAHLLOKOSA-N 2 1 283.419 3.431 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC12CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417345243 380601984 /nfs/dbraw/zinc/60/19/84/380601984.db2.gz XILSXCNDSDBGIE-RYQLBKOJSA-N 2 1 284.447 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC12CC2 ZINC000417359429 380607109 /nfs/dbraw/zinc/60/71/09/380607109.db2.gz IPYAIZKWDHEFNG-NXHRZFHOSA-N 2 1 284.447 3.287 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC000645188239 380609260 /nfs/dbraw/zinc/60/92/60/380609260.db2.gz VIDUJMBATLIBMN-MSOLQXFVSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCc4ccccc43)C2)C1 ZINC000645188239 380609264 /nfs/dbraw/zinc/60/92/64/380609264.db2.gz VIDUJMBATLIBMN-MSOLQXFVSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCc4ccccc43)C2)C1 ZINC000645188239 380609270 /nfs/dbraw/zinc/60/92/70/380609270.db2.gz VIDUJMBATLIBMN-MSOLQXFVSA-N 2 1 270.420 3.092 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000418086502 380698618 /nfs/dbraw/zinc/69/86/18/380698618.db2.gz CSHVUQMVACMHGQ-BPQIPLTHSA-N 2 1 272.436 3.112 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418116542 380703883 /nfs/dbraw/zinc/70/38/83/380703883.db2.gz QKZCAYGTYHZTQB-IRXDYDNUSA-N 2 1 272.436 3.254 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418116542 380703887 /nfs/dbraw/zinc/70/38/87/380703887.db2.gz QKZCAYGTYHZTQB-IRXDYDNUSA-N 2 1 272.436 3.254 20 0 CGADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2ccccc21 ZINC000355713466 380756993 /nfs/dbraw/zinc/75/69/93/380756993.db2.gz FYZZJFHLDRTTFI-AWEZNQCLSA-N 2 1 269.392 3.013 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2c(F)cccc2F)[C@H](C)C1 ZINC000645830185 380745800 /nfs/dbraw/zinc/74/58/00/380745800.db2.gz GSKHHBRXDADVQH-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2c(F)cccc2F)[C@H](C)C1 ZINC000645830185 380745803 /nfs/dbraw/zinc/74/58/03/380745803.db2.gz GSKHHBRXDADVQH-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2c(F)cccc2F)[C@H](C)C1 ZINC000645830185 380745806 /nfs/dbraw/zinc/74/58/06/380745806.db2.gz GSKHHBRXDADVQH-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646019952 380800304 /nfs/dbraw/zinc/80/03/04/380800304.db2.gz WMRWYLUOOCFWDN-UHFFFAOYSA-N 2 1 298.434 3.197 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646019952 380800308 /nfs/dbraw/zinc/80/03/08/380800308.db2.gz WMRWYLUOOCFWDN-UHFFFAOYSA-N 2 1 298.434 3.197 20 0 CGADMP Cc1ccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)CC2CC2)cn1 ZINC000646019883 380800701 /nfs/dbraw/zinc/80/07/01/380800701.db2.gz LXQHGDOMBSDZTQ-SFHVURJKSA-N 2 1 287.451 3.086 20 0 CGADMP Cc1ccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC2CC2)cn1 ZINC000646019883 380800706 /nfs/dbraw/zinc/80/07/06/380800706.db2.gz LXQHGDOMBSDZTQ-SFHVURJKSA-N 2 1 287.451 3.086 20 0 CGADMP Cc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)CC2CC2)cn1 ZINC000646019883 380800713 /nfs/dbraw/zinc/80/07/13/380800713.db2.gz LXQHGDOMBSDZTQ-SFHVURJKSA-N 2 1 287.451 3.086 20 0 CGADMP Cc1ccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC2CC2)cn1 ZINC000646019883 380800719 /nfs/dbraw/zinc/80/07/19/380800719.db2.gz LXQHGDOMBSDZTQ-SFHVURJKSA-N 2 1 287.451 3.086 20 0 CGADMP CC[C@H](C)C[N@@H+](CC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314573 380849539 /nfs/dbraw/zinc/84/95/39/380849539.db2.gz ZACPKQIJGZTSOP-GOEBONIOSA-N 2 1 278.440 3.106 20 0 CGADMP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@H](C)[NH3+])C(C)C ZINC000420412725 380851415 /nfs/dbraw/zinc/85/14/15/380851415.db2.gz SORKUAVFRYLURB-NHYWBVRUSA-N 2 1 260.381 3.375 20 0 CGADMP Clc1cc(Cl)c2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420366059 380851689 /nfs/dbraw/zinc/85/16/89/380851689.db2.gz FKDSPPMCZFONJR-NSHDSACASA-N 2 1 299.245 3.351 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000356887539 380919858 /nfs/dbraw/zinc/91/98/58/380919858.db2.gz YRKBACPYVJZIMO-NUEKZKHPSA-N 2 1 275.440 3.167 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000360014802 381410146 /nfs/dbraw/zinc/41/01/46/381410146.db2.gz JXIQWSSBIDZXBA-GDBMZVCRSA-N 2 1 299.418 3.338 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@H]3C)ccc2n1 ZINC000334834657 207158779 /nfs/dbraw/zinc/15/87/79/207158779.db2.gz YMXSGGTYONRBPY-AUUYWEPGSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@H]3C)ccc2n1 ZINC000334834657 207158782 /nfs/dbraw/zinc/15/87/82/207158782.db2.gz YMXSGGTYONRBPY-AUUYWEPGSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)ccc2n1 ZINC000334834657 207158787 /nfs/dbraw/zinc/15/87/87/207158787.db2.gz YMXSGGTYONRBPY-AUUYWEPGSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)ccc2n1 ZINC000334834657 207158790 /nfs/dbraw/zinc/15/87/90/207158790.db2.gz YMXSGGTYONRBPY-AUUYWEPGSA-N 2 1 297.446 3.315 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCCCC3)CC[NH2+]2)cc1 ZINC000334843487 207171780 /nfs/dbraw/zinc/17/17/80/207171780.db2.gz QKLUFFGQKVTWCM-DLBZAZTESA-N 2 1 258.409 3.402 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCOC ZINC000361175314 381658905 /nfs/dbraw/zinc/65/89/05/381658905.db2.gz NNWMJKYBTNGZEZ-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCOC ZINC000361175314 381658915 /nfs/dbraw/zinc/65/89/15/381658915.db2.gz NNWMJKYBTNGZEZ-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP C(C[N@@H+](CC1CC1)C1CCC1)C[NH+]1CCCCC1 ZINC000361586074 381821363 /nfs/dbraw/zinc/82/13/63/381821363.db2.gz KVUNEQUDKSXFCV-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361591488 381822356 /nfs/dbraw/zinc/82/23/56/381822356.db2.gz NMFHETJXFLMROT-QWHCGFSZSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361591488 381822363 /nfs/dbraw/zinc/82/23/63/381822363.db2.gz NMFHETJXFLMROT-QWHCGFSZSA-N 2 1 289.345 3.244 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)nc1 ZINC000362344316 381950210 /nfs/dbraw/zinc/95/02/10/381950210.db2.gz YLNXQLIVDDPBPU-YUTCNCBUSA-N 2 1 279.815 3.012 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)nc1 ZINC000362344316 381950215 /nfs/dbraw/zinc/95/02/15/381950215.db2.gz YLNXQLIVDDPBPU-YUTCNCBUSA-N 2 1 279.815 3.012 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000363669936 382244303 /nfs/dbraw/zinc/24/43/03/382244303.db2.gz DETCGIYXTCIHRB-UHFFFAOYSA-N 2 1 298.434 3.165 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(C)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000234102435 542309006 /nfs/dbraw/zinc/30/90/06/542309006.db2.gz NGOZSQAFEZRHQZ-ZFWWWQNUSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000234102435 542309010 /nfs/dbraw/zinc/30/90/10/542309010.db2.gz NGOZSQAFEZRHQZ-ZFWWWQNUSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000246322036 542326697 /nfs/dbraw/zinc/32/66/97/542326697.db2.gz XCCCAVMOUKFLLJ-DOOVEFGSSA-N 2 1 250.430 3.006 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251549135 542346716 /nfs/dbraw/zinc/34/67/16/542346716.db2.gz BAHURDVINLJHMJ-XJKSGUPXSA-N 2 1 296.842 3.168 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251678106 542347090 /nfs/dbraw/zinc/34/70/90/542347090.db2.gz HUDASKQCYAZXIL-YWPYICTPSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251678106 542347095 /nfs/dbraw/zinc/34/70/95/542347095.db2.gz HUDASKQCYAZXIL-YWPYICTPSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OC(C)C)c2)CC[C@H]1[NH3+] ZINC000251841069 542348543 /nfs/dbraw/zinc/34/85/43/542348543.db2.gz QUNRGQQEYNIVMO-NVXWUHKLSA-N 2 1 276.424 3.033 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000252823992 542350936 /nfs/dbraw/zinc/35/09/36/542350936.db2.gz CRGOEJHNQCGYTR-SMDDNHRTSA-N 2 1 268.351 3.054 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414176589 533007375 /nfs/dbraw/zinc/00/73/75/533007375.db2.gz JEBIKKJSKVXIMK-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000280912650 195025792 /nfs/dbraw/zinc/02/57/92/195025792.db2.gz SGUVJXBUOPNUGI-UKRRQHHQSA-N 2 1 278.465 3.023 20 0 CGADMP C[C@H]([NH2+]CCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586291 542368013 /nfs/dbraw/zinc/36/80/13/542368013.db2.gz WVCSYRJWVFHCLU-MAUKXSAKSA-N 2 1 272.436 3.287 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2)C[C@@H]1C ZINC000353749633 220299797 /nfs/dbraw/zinc/29/97/97/220299797.db2.gz WFVNDZAVXXBYPI-XJKSGUPXSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2)C[C@@H]1C ZINC000353749633 220299802 /nfs/dbraw/zinc/29/98/02/220299802.db2.gz WFVNDZAVXXBYPI-XJKSGUPXSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2)C[C@@H]1C ZINC000353749633 220299805 /nfs/dbraw/zinc/29/98/05/220299805.db2.gz WFVNDZAVXXBYPI-XJKSGUPXSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C[C@@H]1C ZINC000353749633 220299812 /nfs/dbraw/zinc/29/98/12/220299812.db2.gz WFVNDZAVXXBYPI-XJKSGUPXSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(C)c2)C[C@@H]1C ZINC000353751298 220306662 /nfs/dbraw/zinc/30/66/62/220306662.db2.gz XUWFNERSSKJIJI-HOCLYGCPSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(C)c2)C[C@@H]1C ZINC000353751298 220306664 /nfs/dbraw/zinc/30/66/64/220306664.db2.gz XUWFNERSSKJIJI-HOCLYGCPSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(C)c2)C[C@@H]1C ZINC000353751298 220306667 /nfs/dbraw/zinc/30/66/67/220306667.db2.gz XUWFNERSSKJIJI-HOCLYGCPSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C)c2)C[C@@H]1C ZINC000353751298 220306670 /nfs/dbraw/zinc/30/66/70/220306670.db2.gz XUWFNERSSKJIJI-HOCLYGCPSA-N 2 1 278.415 3.439 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)ccc1SC ZINC000423259519 533120773 /nfs/dbraw/zinc/12/07/73/533120773.db2.gz FDSMVQODODXCDN-OCCSQVGLSA-N 2 1 296.480 3.441 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000211141841 572519754 /nfs/dbraw/zinc/51/97/54/572519754.db2.gz ZBZPMNIIYMASJA-MLGOLLRUSA-N 2 1 280.843 3.127 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1F ZINC000423534399 533172462 /nfs/dbraw/zinc/17/24/62/533172462.db2.gz VUWSLCJJOYOEQH-NHYWBVRUSA-N 2 1 280.387 3.002 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c2ccccc12 ZINC000423279032 533172194 /nfs/dbraw/zinc/17/21/94/533172194.db2.gz QVTZTFUQWKMPLM-SJCJKPOMSA-N 2 1 284.403 3.236 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423258065 533176216 /nfs/dbraw/zinc/17/62/16/533176216.db2.gz AWYBWYOIPSCYFI-YCPHGPKFSA-N 2 1 278.440 3.150 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+](Cc2ccc(F)cc2)CC2CC2)CC[NH2+]1 ZINC000414712329 297396230 /nfs/dbraw/zinc/39/62/30/297396230.db2.gz TYIXJQVJXZALND-RHSMWYFYSA-N 2 1 290.426 3.426 20 0 CGADMP C[C@@H](CCN(C)Cc1ccco1)[N@@H+](C)Cc1ccco1 ZINC000348276599 542517096 /nfs/dbraw/zinc/51/70/96/542517096.db2.gz PGMOZTSYJHMALZ-AWEZNQCLSA-N 2 1 276.380 3.215 20 0 CGADMP COCC[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357011809 542574438 /nfs/dbraw/zinc/57/44/38/542574438.db2.gz JTGVVLXKYUWLHJ-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512331879 285371927 /nfs/dbraw/zinc/37/19/27/285371927.db2.gz LVUYNFDRFPOIPO-BBWFWOEESA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(Br)cs1 ZINC000423342597 533360936 /nfs/dbraw/zinc/36/09/36/533360936.db2.gz YZHDFSSTIOIBCB-MRVPVSSYSA-N 2 1 289.242 3.043 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2ccccc2c1 ZINC000423328024 533431477 /nfs/dbraw/zinc/43/14/77/533431477.db2.gz RUPBVSKVWMPIQY-PXAZEXFGSA-N 2 1 254.377 3.228 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449129264 533469959 /nfs/dbraw/zinc/46/99/59/533469959.db2.gz USULQUBYFHOTFZ-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449129264 533469961 /nfs/dbraw/zinc/46/99/61/533469961.db2.gz USULQUBYFHOTFZ-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000423259217 533537347 /nfs/dbraw/zinc/53/73/47/533537347.db2.gz DHXWNLINRYCSBS-MLGOLLRUSA-N 2 1 264.388 3.384 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000156169668 533543696 /nfs/dbraw/zinc/54/36/96/533543696.db2.gz OPGYLELBNDOWBX-ZOWXZIJZSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000156169668 533543699 /nfs/dbraw/zinc/54/36/99/533543699.db2.gz OPGYLELBNDOWBX-ZOWXZIJZSA-N 2 1 266.816 3.473 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000414757181 542638916 /nfs/dbraw/zinc/63/89/16/542638916.db2.gz SAXGGEDHGIDHHS-UHFFFAOYSA-N 2 1 297.240 3.010 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000414921398 542639655 /nfs/dbraw/zinc/63/96/55/542639655.db2.gz FMGYVKWMDLIWBT-WDEREUQCSA-N 2 1 293.461 3.231 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037649329 391982448 /nfs/dbraw/zinc/98/24/48/391982448.db2.gz RVYFSJDJSOWELF-CVEARBPZSA-N 2 1 272.436 3.438 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCCC2)C1 ZINC000053344078 392084083 /nfs/dbraw/zinc/08/40/83/392084083.db2.gz UKTWIAVWOWKQDV-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCCC2)C1 ZINC000053344078 392084087 /nfs/dbraw/zinc/08/40/87/392084087.db2.gz UKTWIAVWOWKQDV-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000070092011 392176888 /nfs/dbraw/zinc/17/68/88/392176888.db2.gz KWEGKRKOEYKMKT-CHWSQXEVSA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000070092011 392176890 /nfs/dbraw/zinc/17/68/90/392176890.db2.gz KWEGKRKOEYKMKT-CHWSQXEVSA-N 2 1 252.427 3.049 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000071142001 392188732 /nfs/dbraw/zinc/18/87/32/392188732.db2.gz FLUOHOSPQODXNT-VXGBXAGGSA-N 2 1 286.341 3.308 20 0 CGADMP CC1(C)CC([NH2+]Cc2cccc(F)c2F)CC(C)(C)[NH2+]1 ZINC000107037998 392315331 /nfs/dbraw/zinc/31/53/31/392315331.db2.gz WHATYQXHSBURSI-UHFFFAOYSA-N 2 1 282.378 3.364 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCCO2 ZINC000361773455 392320680 /nfs/dbraw/zinc/32/06/80/392320680.db2.gz PTCXYMAOTSDTET-BFYDXBDKSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCCO2 ZINC000361773455 392320685 /nfs/dbraw/zinc/32/06/85/392320685.db2.gz PTCXYMAOTSDTET-BFYDXBDKSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CC1(C)CCC1 ZINC000434761051 542655593 /nfs/dbraw/zinc/65/55/93/542655593.db2.gz VBVQAOPBEIYNKK-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1(CCOC)CCCCC1 ZINC000436232678 542658273 /nfs/dbraw/zinc/65/82/73/542658273.db2.gz PPWOTQYZXPGUOK-INIZCTEOSA-N 2 1 284.488 3.293 20 0 CGADMP Cc1cc([C@@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)no1 ZINC000361944118 392371560 /nfs/dbraw/zinc/37/15/60/392371560.db2.gz MMZYJOONVMPOOG-INIZCTEOSA-N 2 1 288.395 3.105 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)no1 ZINC000361944118 392371568 /nfs/dbraw/zinc/37/15/68/392371568.db2.gz MMZYJOONVMPOOG-INIZCTEOSA-N 2 1 288.395 3.105 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000453392843 542681864 /nfs/dbraw/zinc/68/18/64/542681864.db2.gz URLXXVCVESELBD-ZSYWTGECSA-N 2 1 284.447 3.458 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000453392843 542681870 /nfs/dbraw/zinc/68/18/70/542681870.db2.gz URLXXVCVESELBD-ZSYWTGECSA-N 2 1 284.447 3.458 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000110116867 392378541 /nfs/dbraw/zinc/37/85/41/392378541.db2.gz GSUIFHUETNLWMJ-UHFFFAOYSA-N 2 1 266.816 3.114 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000125300088 392438757 /nfs/dbraw/zinc/43/87/57/392438757.db2.gz GHIHWMHBBCROQI-LLLHUVSDSA-N 2 1 258.409 3.115 20 0 CGADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)C(C)C ZINC000162285823 392594440 /nfs/dbraw/zinc/59/44/40/392594440.db2.gz POGIJQYEJWIUMX-MRXNPFEDSA-N 2 1 290.455 3.086 20 0 CGADMP C(C1CCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157098708 392548996 /nfs/dbraw/zinc/54/89/96/392548996.db2.gz YXZFHPIFWAJMIR-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000372950111 392648814 /nfs/dbraw/zinc/64/88/14/392648814.db2.gz OECHOWWPZYABIS-HZMVEIRTSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000372950111 392648820 /nfs/dbraw/zinc/64/88/20/392648820.db2.gz OECHOWWPZYABIS-HZMVEIRTSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000372950111 392648825 /nfs/dbraw/zinc/64/88/25/392648825.db2.gz OECHOWWPZYABIS-HZMVEIRTSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000372950111 392648829 /nfs/dbraw/zinc/64/88/29/392648829.db2.gz OECHOWWPZYABIS-HZMVEIRTSA-N 2 1 262.441 3.005 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308770008 392656561 /nfs/dbraw/zinc/65/65/61/392656561.db2.gz MJKHCFNIBYZTCZ-IJEWVQPXSA-N 2 1 264.457 3.441 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCC1 ZINC000647343743 392692764 /nfs/dbraw/zinc/69/27/64/392692764.db2.gz BMIICRLLZNQZTE-OLMNPRSZSA-N 2 1 272.436 3.110 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479728 392735116 /nfs/dbraw/zinc/73/51/16/392735116.db2.gz RCCLHQRYKZXDAE-CRAIPNDOSA-N 2 1 290.426 3.352 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479728 392735120 /nfs/dbraw/zinc/73/51/20/392735120.db2.gz RCCLHQRYKZXDAE-CRAIPNDOSA-N 2 1 290.426 3.352 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647497554 392740773 /nfs/dbraw/zinc/74/07/73/392740773.db2.gz MBVJPRXNNMKWDY-DLBZAZTESA-N 2 1 260.425 3.198 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@H]1[NH3+] ZINC000647498416 392742760 /nfs/dbraw/zinc/74/27/60/392742760.db2.gz GWALEJXAFHYOFU-NVXWUHKLSA-N 2 1 288.435 3.035 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334869068 392755480 /nfs/dbraw/zinc/75/54/80/392755480.db2.gz OKKGBWBHKNDVLZ-UONOGXRCSA-N 2 1 264.438 3.021 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543673 392759990 /nfs/dbraw/zinc/75/99/90/392759990.db2.gz RALQEFGAWQWIPC-CVEARBPZSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544031 392760390 /nfs/dbraw/zinc/76/03/90/392760390.db2.gz VQCCCGJIQNMVEU-HZPDHXFCSA-N 2 1 290.426 3.346 20 0 CGADMP Fc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543296 392760549 /nfs/dbraw/zinc/76/05/49/392760549.db2.gz KQKNZIJJSSEGFE-LSDHHAIUSA-N 2 1 276.399 3.037 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544288 392761922 /nfs/dbraw/zinc/76/19/22/392761922.db2.gz YZKHPEOVSFQHHN-FUHWJXTLSA-N 2 1 272.436 3.207 20 0 CGADMP CC1CC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000334349881 392722479 /nfs/dbraw/zinc/72/24/79/392722479.db2.gz FDJIHRHLSHNISC-PZJKJEQHSA-N 2 1 258.409 3.210 20 0 CGADMP CC1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000334349881 392722483 /nfs/dbraw/zinc/72/24/83/392722483.db2.gz FDJIHRHLSHNISC-PZJKJEQHSA-N 2 1 258.409 3.210 20 0 CGADMP CC[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647936756 392838035 /nfs/dbraw/zinc/83/80/35/392838035.db2.gz KTKGWYXOSHRGCY-DOMZBBRYSA-N 2 1 298.883 3.491 20 0 CGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCF)C2)CC1 ZINC000375686268 392802768 /nfs/dbraw/zinc/80/27/68/392802768.db2.gz AZMYENWJYKYIQR-INIZCTEOSA-N 2 1 270.436 3.180 20 0 CGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCCO1 ZINC000189098241 392804555 /nfs/dbraw/zinc/80/45/55/392804555.db2.gz PXJOTGGNFNKFNU-MSOLQXFVSA-N 2 1 294.483 3.144 20 0 CGADMP CCc1ccc(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814734 392808381 /nfs/dbraw/zinc/80/83/81/392808381.db2.gz BWGLFWADKAHNAC-UHFFFAOYSA-N 2 1 272.436 3.008 20 0 CGADMP CCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000647886814 392826343 /nfs/dbraw/zinc/82/63/43/392826343.db2.gz XMWYQYCEULDDKY-JKSUJKDBSA-N 2 1 260.425 3.459 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903273 392829354 /nfs/dbraw/zinc/82/93/54/392829354.db2.gz INKLOJXAHXCMFW-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP Clc1ccccc1C[N@H+](CC1CC1)C[C@H]1CC[NH2+]C1 ZINC000647990204 392859168 /nfs/dbraw/zinc/85/91/68/392859168.db2.gz FWVWAVBNAUMSRY-AWEZNQCLSA-N 2 1 278.827 3.162 20 0 CGADMP Clc1ccccc1C[N@@H+](CC1CC1)C[C@H]1CC[NH2+]C1 ZINC000647990204 392859178 /nfs/dbraw/zinc/85/91/78/392859178.db2.gz FWVWAVBNAUMSRY-AWEZNQCLSA-N 2 1 278.827 3.162 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CSC2(C)C)C[C@H]1c1ccccc1 ZINC000340382860 392972574 /nfs/dbraw/zinc/97/25/74/392972574.db2.gz CVELHOIJGLNUMB-JYJNAYRXSA-N 2 1 290.476 3.306 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CSC2(C)C)C[C@H]1c1ccccc1 ZINC000340382860 392972578 /nfs/dbraw/zinc/97/25/78/392972578.db2.gz CVELHOIJGLNUMB-JYJNAYRXSA-N 2 1 290.476 3.306 20 0 CGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340360297 392969986 /nfs/dbraw/zinc/96/99/86/392969986.db2.gz SNANODYCLDPBIF-IAGOWNOFSA-N 2 1 290.451 3.227 20 0 CGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340360297 392969989 /nfs/dbraw/zinc/96/99/89/392969989.db2.gz SNANODYCLDPBIF-IAGOWNOFSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000340376335 392971899 /nfs/dbraw/zinc/97/18/99/392971899.db2.gz ZGDXMKYWGCWRJJ-XIRDDKMYSA-N 2 1 290.476 3.165 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000340376335 392971905 /nfs/dbraw/zinc/97/19/05/392971905.db2.gz ZGDXMKYWGCWRJJ-XIRDDKMYSA-N 2 1 290.476 3.165 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385219 392993667 /nfs/dbraw/zinc/99/36/67/392993667.db2.gz NKPHYMWECJPRLV-HDICACEKSA-N 2 1 292.426 3.313 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000226927212 393015428 /nfs/dbraw/zinc/01/54/28/393015428.db2.gz SNJWBCUCAALJFI-YOEHRIQHSA-N 2 1 260.425 3.369 20 0 CGADMP CCCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000546699059 393068191 /nfs/dbraw/zinc/06/81/91/393068191.db2.gz NNLWEKGPVVPLCK-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000546699059 393068194 /nfs/dbraw/zinc/06/81/94/393068194.db2.gz NNLWEKGPVVPLCK-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000414973721 393075342 /nfs/dbraw/zinc/07/53/42/393075342.db2.gz CMCUCMSYZYJJHU-QGZVFWFLSA-N 2 1 284.403 3.093 20 0 CGADMP CC[C@H]1CCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346149098 393076238 /nfs/dbraw/zinc/07/62/38/393076238.db2.gz LNWXBIIQSNNBFT-INIZCTEOSA-N 2 1 284.407 3.340 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415049536 393112749 /nfs/dbraw/zinc/11/27/49/393112749.db2.gz AXEUQHFGJAEAEA-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cnc(C3CCCC3)s2)C[C@@]1(C)C[NH3+] ZINC000415052488 393115130 /nfs/dbraw/zinc/11/51/30/393115130.db2.gz HTBOSTWHBDWZLK-MLGOLLRUSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)C[C@@]1(C)C[NH3+] ZINC000415052488 393115135 /nfs/dbraw/zinc/11/51/35/393115135.db2.gz HTBOSTWHBDWZLK-MLGOLLRUSA-N 2 1 293.480 3.217 20 0 CGADMP CC[C@@H](C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000415059229 393119057 /nfs/dbraw/zinc/11/90/57/393119057.db2.gz XSABRZOYQOKYHQ-HLLBOEOZSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1cccc(Cl)c1 ZINC000415059476 393120334 /nfs/dbraw/zinc/12/03/34/393120334.db2.gz YDPHMMKPBZHYRC-RISCZKNCSA-N 2 1 268.832 3.407 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000251645671 393120292 /nfs/dbraw/zinc/12/02/92/393120292.db2.gz FIPXNIJANOHMJL-DVOMOZLQSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCCCOc1ccccc1 ZINC000415059102 393120445 /nfs/dbraw/zinc/12/04/45/393120445.db2.gz WZCQNASXSCKLNO-MRXNPFEDSA-N 2 1 278.440 3.199 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415069773 393128695 /nfs/dbraw/zinc/12/86/95/393128695.db2.gz UAQZWCBVJYJMBG-MAUKXSAKSA-N 2 1 274.452 3.423 20 0 CGADMP CC(C)(C)[NH2+]CC[NH2+]CCc1csc2ccccc12 ZINC000415075947 393131813 /nfs/dbraw/zinc/13/18/13/393131813.db2.gz BVPHWNREGCHOLB-UHFFFAOYSA-N 2 1 276.449 3.422 20 0 CGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415088802 393140085 /nfs/dbraw/zinc/14/00/85/393140085.db2.gz MLWOPZVSDFETOJ-MAZHCROVSA-N 2 1 298.858 3.379 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415088271 393140816 /nfs/dbraw/zinc/14/08/16/393140816.db2.gz WAYFOXWPEANOJE-XYPHTWIQSA-N 2 1 258.409 3.258 20 0 CGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261701340 393143455 /nfs/dbraw/zinc/14/34/55/393143455.db2.gz ILJVQUFFWGASCU-WBAXXEDZSA-N 2 1 272.436 3.412 20 0 CGADMP c1ccc(C[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415123723 393151048 /nfs/dbraw/zinc/15/10/48/393151048.db2.gz QGDJGLNXWVDLLG-PMACEKPBSA-N 2 1 294.442 3.355 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415135396 393155147 /nfs/dbraw/zinc/15/51/47/393155147.db2.gz WQJLCKWBGYOZKC-RYRKJORJSA-N 2 1 274.452 3.172 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(CC)c2)C1 ZINC000469720848 393208399 /nfs/dbraw/zinc/20/83/99/393208399.db2.gz PTDKCBMVUIMAIS-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(CC)c2)C1 ZINC000469720848 393208408 /nfs/dbraw/zinc/20/84/08/393208408.db2.gz PTDKCBMVUIMAIS-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(CC)c2)C1 ZINC000469720848 393208417 /nfs/dbraw/zinc/20/84/17/393208417.db2.gz PTDKCBMVUIMAIS-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CC[C@H]1Cc2ccccc2C[N@H+]1CCn1ccnc1C ZINC000274494267 393286998 /nfs/dbraw/zinc/28/69/98/393286998.db2.gz RIWBWLLQLWYDNY-KRWDZBQOSA-N 2 1 269.392 3.028 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000471221318 393278109 /nfs/dbraw/zinc/27/81/09/393278109.db2.gz SWYCSBDLASCFCH-LPHOPBHVSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000471221318 393278114 /nfs/dbraw/zinc/27/81/14/393278114.db2.gz SWYCSBDLASCFCH-LPHOPBHVSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccc(CC[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000471221318 393278120 /nfs/dbraw/zinc/27/81/20/393278120.db2.gz SWYCSBDLASCFCH-LPHOPBHVSA-N 2 1 288.479 3.454 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000474924684 393356892 /nfs/dbraw/zinc/35/68/92/393356892.db2.gz IOOVRYURURAJBB-GBESFXJTSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000474924684 393356896 /nfs/dbraw/zinc/35/68/96/393356896.db2.gz IOOVRYURURAJBB-GBESFXJTSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000474924684 393356898 /nfs/dbraw/zinc/35/68/98/393356898.db2.gz IOOVRYURURAJBB-GBESFXJTSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000474924684 393356901 /nfs/dbraw/zinc/35/69/01/393356901.db2.gz IOOVRYURURAJBB-GBESFXJTSA-N 2 1 286.463 3.452 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000475112081 393373573 /nfs/dbraw/zinc/37/35/73/393373573.db2.gz RXZQHSQJUMRVSP-CYBMUJFWSA-N 2 1 280.843 3.286 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000475112081 393373578 /nfs/dbraw/zinc/37/35/78/393373578.db2.gz RXZQHSQJUMRVSP-CYBMUJFWSA-N 2 1 280.843 3.286 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647280022 393422422 /nfs/dbraw/zinc/42/24/22/393422422.db2.gz NUCVEXRTIYORQC-QGZVFWFLSA-N 2 1 277.456 3.490 20 0 CGADMP COC[C@H](CC(C)C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000480255183 393435228 /nfs/dbraw/zinc/43/52/28/393435228.db2.gz XZGWIEHWRAUCSN-INIZCTEOSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000482436031 393438568 /nfs/dbraw/zinc/43/85/68/393438568.db2.gz BQUPOQMSWXHOIJ-CZUORRHYSA-N 2 1 278.415 3.033 20 0 CGADMP CC[N@@H+](C[C@H]1C[C@@H]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488300665 393481229 /nfs/dbraw/zinc/48/12/29/393481229.db2.gz PLTJFEZFQHHRBW-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[NH+](C[C@H]1C[C@@H]1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488300665 393481233 /nfs/dbraw/zinc/48/12/33/393481233.db2.gz PLTJFEZFQHHRBW-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[NH+](C[C@H]1C[C@@H]1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488300665 393481238 /nfs/dbraw/zinc/48/12/38/393481238.db2.gz PLTJFEZFQHHRBW-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000481992648 393438937 /nfs/dbraw/zinc/43/89/37/393438937.db2.gz RGQWZBRFWFKTCH-HHARLNAUSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+](CCc1cccc2ccccc21)CC[C@H]1CC[NH2+]C1 ZINC000420296110 393453641 /nfs/dbraw/zinc/45/36/41/393453641.db2.gz DCKPTYXGXDOCHZ-MRXNPFEDSA-N 2 1 282.431 3.314 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1c(F)cccc1F ZINC000420307135 393456988 /nfs/dbraw/zinc/45/69/88/393456988.db2.gz RFHBSPSGCWZRQK-CYBMUJFWSA-N 2 1 282.378 3.176 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420304420 393457584 /nfs/dbraw/zinc/45/75/84/393457584.db2.gz OLPBINHSDSZXAX-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP CCC1(CC)CC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420308916 393459511 /nfs/dbraw/zinc/45/95/11/393459511.db2.gz SNRDZQBNAYQZED-MRXNPFEDSA-N 2 1 290.451 3.250 20 0 CGADMP C(C[N@@H+](CC1CC1)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000420310484 393459772 /nfs/dbraw/zinc/45/97/72/393459772.db2.gz VBNSKHRZSSZDDN-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420311408 393459879 /nfs/dbraw/zinc/45/98/79/393459879.db2.gz VUSGYPFVHKXZCB-MJGOQNOKSA-N 2 1 286.463 3.392 20 0 CGADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420314701 393460859 /nfs/dbraw/zinc/46/08/59/393460859.db2.gz ZJGCHGDARAYPPB-CHWSQXEVSA-N 2 1 289.448 3.289 20 0 CGADMP CC[N@@H+](C[C@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]CC1 ZINC000420315909 393461788 /nfs/dbraw/zinc/46/17/88/393461788.db2.gz SEZLIBACCQMHRR-UONOGXRCSA-N 2 1 274.399 3.276 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]CC1 ZINC000420315908 393461939 /nfs/dbraw/zinc/46/19/39/393461939.db2.gz SEZLIBACCQMHRR-KGLIPLIRSA-N 2 1 274.399 3.276 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420407216 393484305 /nfs/dbraw/zinc/48/43/05/393484305.db2.gz OFSCRJHOIHDYSN-XJKSGUPXSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420407216 393484311 /nfs/dbraw/zinc/48/43/11/393484311.db2.gz OFSCRJHOIHDYSN-XJKSGUPXSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420317626 393463080 /nfs/dbraw/zinc/46/30/80/393463080.db2.gz NNHPXDWYKALGGF-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)CC2 ZINC000420337202 393469262 /nfs/dbraw/zinc/46/92/62/393469262.db2.gz WNWORLBETNVWON-IIDMSEBBSA-N 2 1 288.410 3.135 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330577 393470547 /nfs/dbraw/zinc/47/05/47/393470547.db2.gz QEIHQPSHFQYEPK-KBMXLJTQSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000420357443 393472507 /nfs/dbraw/zinc/47/25/07/393472507.db2.gz HVFZOGQTXBDYOS-LJQANCHMSA-N 2 1 286.463 3.348 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420365253 393475412 /nfs/dbraw/zinc/47/54/12/393475412.db2.gz IWAGHCANUOJMEO-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420365253 393475418 /nfs/dbraw/zinc/47/54/18/393475418.db2.gz IWAGHCANUOJMEO-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000420370595 393476404 /nfs/dbraw/zinc/47/64/04/393476404.db2.gz JRMVUFIBAOUCSF-BDAKNGLRSA-N 2 1 291.197 3.393 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420373625 393478432 /nfs/dbraw/zinc/47/84/32/393478432.db2.gz MRLWSFPMKBFRML-VHSXEESVSA-N 2 1 273.207 3.254 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647248532 393410556 /nfs/dbraw/zinc/41/05/56/393410556.db2.gz GIJLYDCSAVHIDU-AEFFLSMTSA-N 2 1 284.403 3.023 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647248532 393410563 /nfs/dbraw/zinc/41/05/63/393410563.db2.gz GIJLYDCSAVHIDU-AEFFLSMTSA-N 2 1 284.403 3.023 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000356295017 393411907 /nfs/dbraw/zinc/41/19/07/393411907.db2.gz MXIZZDSDYSQLMS-QGZVFWFLSA-N 2 1 296.418 3.196 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)[C@H]1OC ZINC000356706403 393501239 /nfs/dbraw/zinc/50/12/39/393501239.db2.gz XFMKZIMIBYKDRW-WRQOLXDDSA-N 2 1 294.483 3.043 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488416892 393504625 /nfs/dbraw/zinc/50/46/25/393504625.db2.gz QZKSVLPXEVGLNX-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488416889 393505043 /nfs/dbraw/zinc/50/50/43/393505043.db2.gz QZKSVLPXEVGLNX-KFWWJZLASA-N 2 1 284.513 3.228 20 0 CGADMP CCc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc2[nH+]1 ZINC000488710567 393547812 /nfs/dbraw/zinc/54/78/12/393547812.db2.gz FQJOZZZWCMKDKE-LJQANCHMSA-N 2 1 295.430 3.329 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000666853147 542821086 /nfs/dbraw/zinc/82/10/86/542821086.db2.gz QPXYOVFYMYYQCE-UONOGXRCSA-N 2 1 287.432 3.170 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000430637007 393582793 /nfs/dbraw/zinc/58/27/93/393582793.db2.gz BTUBYGUVVBBNCW-ZDUSSCGKSA-N 2 1 298.883 3.493 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1COc2ccccc21 ZINC000423003986 393647448 /nfs/dbraw/zinc/64/74/48/393647448.db2.gz NXNWQDHVSSZEJL-GYIHYUDTSA-N 2 1 294.398 3.286 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(OC)cc1 ZINC000423258646 393656383 /nfs/dbraw/zinc/65/63/83/393656383.db2.gz CFSXEOYOTKFDAY-GOEBONIOSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000423269244 393658001 /nfs/dbraw/zinc/65/80/01/393658001.db2.gz VSXSYFKOLGHZAC-FZMZJTMJSA-N 2 1 254.805 3.364 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423285598 393658823 /nfs/dbraw/zinc/65/88/23/393658823.db2.gz ZKAOLEPOHWJDKZ-CHWSQXEVSA-N 2 1 284.856 3.450 20 0 CGADMP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)C[NH3+] ZINC000423327653 393662334 /nfs/dbraw/zinc/66/23/34/393662334.db2.gz NOJCTWZAHGNRBW-PWSUYJOCSA-N 2 1 272.845 3.148 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423457897 393668560 /nfs/dbraw/zinc/66/85/60/393668560.db2.gz GHZLUZHMXFIVNJ-OCCSQVGLSA-N 2 1 297.240 3.153 20 0 CGADMP CCC(CC)(CC)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433028432 393670829 /nfs/dbraw/zinc/67/08/29/393670829.db2.gz OJFPQINCQSXXAB-INIZCTEOSA-N 2 1 284.488 3.293 20 0 CGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000361110806 393674436 /nfs/dbraw/zinc/67/44/36/393674436.db2.gz QYZMSZPFVGWFBG-CRAIPNDOSA-N 2 1 290.451 3.084 20 0 CGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000361110806 393674439 /nfs/dbraw/zinc/67/44/39/393674439.db2.gz QYZMSZPFVGWFBG-CRAIPNDOSA-N 2 1 290.451 3.084 20 0 CGADMP CCc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000443676841 393770466 /nfs/dbraw/zinc/77/04/66/393770466.db2.gz VPEWKMFDJKEEOZ-HOTGVXAUSA-N 2 1 295.430 3.258 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000502425491 393875248 /nfs/dbraw/zinc/87/52/48/393875248.db2.gz CSMNOGVVTJWFSZ-KSZLIROESA-N 2 1 294.483 3.046 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000502425491 393875252 /nfs/dbraw/zinc/87/52/52/393875252.db2.gz CSMNOGVVTJWFSZ-KSZLIROESA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000502592336 393880848 /nfs/dbraw/zinc/88/08/48/393880848.db2.gz FEZFKSSYBBPIBJ-MQYQWHSLSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502914830 393887392 /nfs/dbraw/zinc/88/73/92/393887392.db2.gz RDHRXSXQZQIHIB-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[C@@H](C)C1 ZINC000449764762 393944384 /nfs/dbraw/zinc/94/43/84/393944384.db2.gz DKSPGAWKLOCEAF-HMDCTGQHSA-N 2 1 264.457 3.418 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC1=CCCCC1 ZINC000450593642 394027057 /nfs/dbraw/zinc/02/70/57/394027057.db2.gz BPKHCJKAQJSNMD-KURKYZTESA-N 2 1 292.467 3.060 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453074434 394161914 /nfs/dbraw/zinc/16/19/14/394161914.db2.gz GJXJEPLEYYUZDC-MRXNPFEDSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000453108976 394173559 /nfs/dbraw/zinc/17/35/59/394173559.db2.gz MAIKXAHCADUHDA-JKSUJKDBSA-N 2 1 284.488 3.028 20 0 CGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccncc1 ZINC000453110418 394174610 /nfs/dbraw/zinc/17/46/10/394174610.db2.gz AZNSCJFFSBODTI-INIZCTEOSA-N 2 1 272.396 3.108 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453387821 394227048 /nfs/dbraw/zinc/22/70/48/394227048.db2.gz BGLAQZFCSVJFET-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCC1 ZINC000453390135 394228974 /nfs/dbraw/zinc/22/89/74/394228974.db2.gz CXZOQGYRQWXIOT-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)ccc1F ZINC000453396997 394231908 /nfs/dbraw/zinc/23/19/08/394231908.db2.gz JCIZITRDBDLCQR-CYBMUJFWSA-N 2 1 294.414 3.359 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404262 394234921 /nfs/dbraw/zinc/23/49/21/394234921.db2.gz PJUNVBNCWQAGRO-NSHDSACASA-N 2 1 266.351 3.181 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000453404712 394235327 /nfs/dbraw/zinc/23/53/27/394235327.db2.gz BQBRUTHMDHHCGQ-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1OC ZINC000453413982 394239332 /nfs/dbraw/zinc/23/93/32/394239332.db2.gz WXDKVNURPOGEBY-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000453415179 394239813 /nfs/dbraw/zinc/23/98/13/394239813.db2.gz XEYDOCDHWIWLKU-GFCCVEGCSA-N 2 1 282.378 3.490 20 0 CGADMP CCC1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453420461 394242075 /nfs/dbraw/zinc/24/20/75/394242075.db2.gz KLSRCQTVOWEJMF-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC[N@@H+]1C ZINC000453424061 394242818 /nfs/dbraw/zinc/24/28/18/394242818.db2.gz MXLWBWAXRHPVFE-BYNSBNAKSA-N 2 1 294.464 3.041 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC[N@H+]1C ZINC000453424061 394242820 /nfs/dbraw/zinc/24/28/20/394242820.db2.gz MXLWBWAXRHPVFE-BYNSBNAKSA-N 2 1 294.464 3.041 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667589796 542895132 /nfs/dbraw/zinc/89/51/32/542895132.db2.gz CRDQVIRHALKFCB-MRXNPFEDSA-N 2 1 284.407 3.278 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667589796 542895133 /nfs/dbraw/zinc/89/51/33/542895133.db2.gz CRDQVIRHALKFCB-MRXNPFEDSA-N 2 1 284.407 3.278 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)n1C ZINC000667543329 542887114 /nfs/dbraw/zinc/88/71/14/542887114.db2.gz XJQDOWFUNSFNGH-INIZCTEOSA-N 2 1 287.382 3.075 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667786443 542928561 /nfs/dbraw/zinc/92/85/61/542928561.db2.gz QPGSCAXLIGMWLH-NCOADZHNSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000667987823 542955429 /nfs/dbraw/zinc/95/54/29/542955429.db2.gz RQAVSQLLOBREFQ-CQSZACIVSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000667987823 542955431 /nfs/dbraw/zinc/95/54/31/542955431.db2.gz RQAVSQLLOBREFQ-CQSZACIVSA-N 2 1 284.407 3.135 20 0 CGADMP Cc1ncc(C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000668235540 542995174 /nfs/dbraw/zinc/99/51/74/542995174.db2.gz NKPUIIGNTPVJIY-QZTJIDSGSA-N 2 1 283.419 3.497 20 0 CGADMP CN(C)c1ncc(C[N@H+]2CCCC3(CCCC3)CC2)n1C ZINC000668478877 543017958 /nfs/dbraw/zinc/01/79/58/543017958.db2.gz RDAINNQYCUFAEN-UHFFFAOYSA-N 2 1 290.455 3.032 20 0 CGADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C1CC1 ZINC000668512429 543021297 /nfs/dbraw/zinc/02/12/97/543021297.db2.gz MTDHLCUTVPRWIV-CABCVRRESA-N 2 1 271.408 3.306 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000670264821 543147487 /nfs/dbraw/zinc/14/74/87/543147487.db2.gz GTFUPHZDEXMXHQ-ZNMIVQPWSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000670264821 543147491 /nfs/dbraw/zinc/14/74/91/543147491.db2.gz GTFUPHZDEXMXHQ-ZNMIVQPWSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000670264821 543147493 /nfs/dbraw/zinc/14/74/93/543147493.db2.gz GTFUPHZDEXMXHQ-ZNMIVQPWSA-N 2 1 254.462 3.331 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000671730369 543182446 /nfs/dbraw/zinc/18/24/46/543182446.db2.gz LWZPEYDTEGMBHG-KRWDZBQOSA-N 2 1 283.419 3.199 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000671730369 543182448 /nfs/dbraw/zinc/18/24/48/543182448.db2.gz LWZPEYDTEGMBHG-KRWDZBQOSA-N 2 1 283.419 3.199 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000671738775 543183684 /nfs/dbraw/zinc/18/36/84/543183684.db2.gz OTXCBWKQYWHPBJ-ULQDDVLXSA-N 2 1 262.441 3.339 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000671752442 543185925 /nfs/dbraw/zinc/18/59/25/543185925.db2.gz YYGNFJPQMSVNJT-XCLNPWKQSA-N 2 1 298.474 3.254 20 0 CGADMP COC1(CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000339085120 292108704 /nfs/dbraw/zinc/10/87/04/292108704.db2.gz PBYXMZDRWHOLEY-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916241 397609656 /nfs/dbraw/zinc/60/96/56/397609656.db2.gz LFNBXQUEVYINQP-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2C)CC[C@H]1[NH3+] ZINC000300417636 397673363 /nfs/dbraw/zinc/67/33/63/397673363.db2.gz WFDSIGYWZIRYAT-DOTOQJQBSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000302010648 397676226 /nfs/dbraw/zinc/67/62/26/397676226.db2.gz AKGZVXFSNOWHDH-DLBZAZTESA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000302010648 397676228 /nfs/dbraw/zinc/67/62/28/397676228.db2.gz AKGZVXFSNOWHDH-DLBZAZTESA-N 2 1 287.451 3.481 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421323554 397702408 /nfs/dbraw/zinc/70/24/08/397702408.db2.gz IIWOEUMRWWORTL-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP c1c2c(oc1-c1ccccc1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000650709488 397898167 /nfs/dbraw/zinc/89/81/67/397898167.db2.gz BDFOFTLKXWFGMN-HNNXBMFYSA-N 2 1 296.414 3.304 20 0 CGADMP c1c2c(oc1-c1ccccc1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000650709488 397898170 /nfs/dbraw/zinc/89/81/70/397898170.db2.gz BDFOFTLKXWFGMN-HNNXBMFYSA-N 2 1 296.414 3.304 20 0 CGADMP C[C@@]1(C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)CC[NH2+]C1 ZINC000650709661 397898394 /nfs/dbraw/zinc/89/83/94/397898394.db2.gz KVOJUVUTGQACPL-LJQANCHMSA-N 2 1 296.414 3.304 20 0 CGADMP C[C@@]1(C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)CC[NH2+]C1 ZINC000650709661 397898398 /nfs/dbraw/zinc/89/83/98/397898398.db2.gz KVOJUVUTGQACPL-LJQANCHMSA-N 2 1 296.414 3.304 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000650720015 397901897 /nfs/dbraw/zinc/90/18/97/397901897.db2.gz CAJMPSLXKJGFMH-GOSISDBHSA-N 2 1 286.419 3.481 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1F ZINC000650752690 397908672 /nfs/dbraw/zinc/90/86/72/397908672.db2.gz XKZARLGZSKVFFC-LLVKDONJSA-N 2 1 276.330 3.274 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000421822957 292136372 /nfs/dbraw/zinc/13/63/72/292136372.db2.gz BTQOLDKKWZVHNQ-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000675881799 543370029 /nfs/dbraw/zinc/37/00/29/543370029.db2.gz NNNOZQWEUBNNAR-BPQIPLTHSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)C1 ZINC000676644689 543409300 /nfs/dbraw/zinc/40/93/00/543409300.db2.gz ZFGRGTGMYRUGKC-RKVPGOIHSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1nc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000676839001 543420978 /nfs/dbraw/zinc/42/09/78/543420978.db2.gz ISIUIFPXNKEWJC-MNOVXSKESA-N 2 1 292.452 3.252 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000677129302 543434057 /nfs/dbraw/zinc/43/40/57/543434057.db2.gz JELLDMAACMZMTR-QGZVFWFLSA-N 2 1 294.389 3.418 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678121063 543485086 /nfs/dbraw/zinc/48/50/86/543485086.db2.gz YOAYWUJOQJQNPJ-IYBDPMFKSA-N 2 1 290.451 3.105 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000678222756 543496036 /nfs/dbraw/zinc/49/60/36/543496036.db2.gz UPHJOBMVGATKIT-HZPDHXFCSA-N 2 1 290.451 3.247 20 0 CGADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CCCC1 ZINC000122504801 286050237 /nfs/dbraw/zinc/05/02/37/286050237.db2.gz OFLMHVSJKGFYTG-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C2CC2)cc1 ZINC000037256102 292204346 /nfs/dbraw/zinc/20/43/46/292204346.db2.gz QWVAHSBAEIWZPW-QGZVFWFLSA-N 2 1 258.409 3.130 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554049837 289253584 /nfs/dbraw/zinc/25/35/84/289253584.db2.gz CVSCYVGOVUIRAY-HOTGVXAUSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554049837 289253587 /nfs/dbraw/zinc/25/35/87/289253587.db2.gz CVSCYVGOVUIRAY-HOTGVXAUSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420306001 292225806 /nfs/dbraw/zinc/22/58/06/292225806.db2.gz QFTLJZACNNRAMW-WBVHZDCISA-N 2 1 290.476 3.085 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000120790045 287023485 /nfs/dbraw/zinc/02/34/85/287023485.db2.gz VNIXFHSRBQFYNN-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1c(F)cccc1Cl ZINC000422920928 287048672 /nfs/dbraw/zinc/04/86/72/287048672.db2.gz NXWMIHOSZAGESL-LPEHRKFASA-N 2 1 258.768 3.256 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCSCC1 ZINC000423258572 287054009 /nfs/dbraw/zinc/05/40/09/287054009.db2.gz BYMFFUZZDYAJMC-DOMZBBRYSA-N 2 1 270.486 3.015 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469463 287056827 /nfs/dbraw/zinc/05/68/27/287056827.db2.gz CYFGIZQIYNEKKH-HOTGVXAUSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469463 287056828 /nfs/dbraw/zinc/05/68/28/287056828.db2.gz CYFGIZQIYNEKKH-HOTGVXAUSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469463 287056829 /nfs/dbraw/zinc/05/68/29/287056829.db2.gz CYFGIZQIYNEKKH-HOTGVXAUSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469463 287056832 /nfs/dbraw/zinc/05/68/32/287056832.db2.gz CYFGIZQIYNEKKH-HOTGVXAUSA-N 2 1 290.451 3.420 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C12CCCCC2 ZINC000087299936 287085408 /nfs/dbraw/zinc/08/54/08/287085408.db2.gz HJCCNEUPBRKHSI-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000071306929 165068859 /nfs/dbraw/zinc/06/88/59/165068859.db2.gz JMNNAPGYHBHOJS-JFGNBEQYSA-N 2 1 272.845 3.220 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000071306929 165068864 /nfs/dbraw/zinc/06/88/64/165068864.db2.gz JMNNAPGYHBHOJS-JFGNBEQYSA-N 2 1 272.845 3.220 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000086256633 165180934 /nfs/dbraw/zinc/18/09/34/165180934.db2.gz RHGHJDFJOXNQNZ-QAPCUYQASA-N 2 1 283.419 3.157 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000086256633 165180935 /nfs/dbraw/zinc/18/09/35/165180935.db2.gz RHGHJDFJOXNQNZ-QAPCUYQASA-N 2 1 283.419 3.157 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000090795098 287104794 /nfs/dbraw/zinc/10/47/94/287104794.db2.gz BSSYTQZEIWEAQH-ZIAGYGMSSA-N 2 1 269.392 3.438 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2sccc2C)CC1 ZINC000092165711 165282002 /nfs/dbraw/zinc/28/20/02/165282002.db2.gz KXMJEQVTGJBSMY-UHFFFAOYSA-N 2 1 266.454 3.363 20 0 CGADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(C2CC2)c1 ZINC000094519071 165352898 /nfs/dbraw/zinc/35/28/98/165352898.db2.gz VZNCQGHXXKYCOE-OAHLLOKOSA-N 2 1 270.420 3.138 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522162 165353538 /nfs/dbraw/zinc/35/35/38/165353538.db2.gz OMJYIKSLDIKNNW-CXAGYDPISA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000094827497 165391840 /nfs/dbraw/zinc/39/18/40/165391840.db2.gz XFMYPJRKLLXIBI-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449106222 292524143 /nfs/dbraw/zinc/52/41/43/292524143.db2.gz LDLPFZCGJRBLDC-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1OC ZINC000093406344 287116381 /nfs/dbraw/zinc/11/63/81/287116381.db2.gz FYFJGNJEEVMUMK-DOTOQJQBSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([NH+](C)C)CC1 ZINC000489881588 287140835 /nfs/dbraw/zinc/14/08/35/287140835.db2.gz GHIWEXZVRKYEPP-AWEZNQCLSA-N 2 1 272.436 3.262 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000121099355 287192980 /nfs/dbraw/zinc/19/29/80/287192980.db2.gz AVBROUKKGYHIIV-KSSFIOAISA-N 2 1 268.404 3.270 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000121719394 287202605 /nfs/dbraw/zinc/20/26/05/287202605.db2.gz YRKVXXXGLHJBAD-VQTJNVASSA-N 2 1 298.474 3.497 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410816 287219314 /nfs/dbraw/zinc/21/93/14/287219314.db2.gz VITLZNCWVJZSEV-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccccn1 ZINC000093496610 289727903 /nfs/dbraw/zinc/72/79/03/289727903.db2.gz LCSOLYFWSSTYCE-ILXRZTDVSA-N 2 1 261.413 3.043 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000124705978 287236231 /nfs/dbraw/zinc/23/62/31/287236231.db2.gz CZLLVTAVOHZUFD-NVXWUHKLSA-N 2 1 290.451 3.089 20 0 CGADMP CC[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](CC)C2)C1 ZINC000125283393 287242190 /nfs/dbraw/zinc/24/21/90/287242190.db2.gz JCCMIFBRUGNWON-IYBDPMFKSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](CC)C2)C1 ZINC000125283393 287242194 /nfs/dbraw/zinc/24/21/94/287242194.db2.gz JCCMIFBRUGNWON-IYBDPMFKSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](CC)C2)C1 ZINC000125283393 287242196 /nfs/dbraw/zinc/24/21/96/287242196.db2.gz JCCMIFBRUGNWON-IYBDPMFKSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccnc1 ZINC000020143264 171029027 /nfs/dbraw/zinc/02/90/27/171029027.db2.gz BYCQEOWJZTVYLZ-LBPRGKRZSA-N 2 1 261.413 3.041 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[NH2+]CC1 ZINC000022108000 171352947 /nfs/dbraw/zinc/35/29/47/171352947.db2.gz NEYKGHNWARYWLT-CQSZACIVSA-N 2 1 254.377 3.196 20 0 CGADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000126458992 287265193 /nfs/dbraw/zinc/26/51/93/287265193.db2.gz FZSJMBXKDFWXKL-HNNXBMFYSA-N 2 1 296.842 3.403 20 0 CGADMP c1cc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)ccc2o1 ZINC000285489294 196301801 /nfs/dbraw/zinc/30/18/01/196301801.db2.gz PEOUPDFADIXUHG-CQSZACIVSA-N 2 1 270.376 3.007 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000285509258 196308303 /nfs/dbraw/zinc/30/83/03/196308303.db2.gz AZSXYYCCXBUMLJ-XJKSGUPXSA-N 2 1 278.465 3.122 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285571928 196329851 /nfs/dbraw/zinc/32/98/51/196329851.db2.gz SOALDBHIZHGPIC-SJPCQFCGSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285571928 196329853 /nfs/dbraw/zinc/32/98/53/196329853.db2.gz SOALDBHIZHGPIC-SJPCQFCGSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285571928 196329855 /nfs/dbraw/zinc/32/98/55/196329855.db2.gz SOALDBHIZHGPIC-SJPCQFCGSA-N 2 1 276.399 3.191 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCCCO2)C1 ZINC000246278551 287275089 /nfs/dbraw/zinc/27/50/89/287275089.db2.gz BRUPAXGHBVZOGF-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000246278551 287275093 /nfs/dbraw/zinc/27/50/93/287275093.db2.gz BRUPAXGHBVZOGF-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000246278551 287275096 /nfs/dbraw/zinc/27/50/96/287275096.db2.gz BRUPAXGHBVZOGF-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000037248856 173061118 /nfs/dbraw/zinc/06/11/18/173061118.db2.gz QZKAMZIOWCJQCV-NSHDSACASA-N 2 1 286.341 3.450 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000037248671 173061252 /nfs/dbraw/zinc/06/12/52/173061252.db2.gz KKQUOZVHRNBJHC-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267095 173077119 /nfs/dbraw/zinc/07/71/19/173077119.db2.gz VYSRTBPXOOUHKG-AWEZNQCLSA-N 2 1 276.424 3.219 20 0 CGADMP FCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285741959 196385063 /nfs/dbraw/zinc/38/50/63/196385063.db2.gz YDUXNFUZLJOJTL-SFHVURJKSA-N 2 1 290.426 3.334 20 0 CGADMP FCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285741959 196385065 /nfs/dbraw/zinc/38/50/65/196385065.db2.gz YDUXNFUZLJOJTL-SFHVURJKSA-N 2 1 290.426 3.334 20 0 CGADMP FCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285741959 196385067 /nfs/dbraw/zinc/38/50/67/196385067.db2.gz YDUXNFUZLJOJTL-SFHVURJKSA-N 2 1 290.426 3.334 20 0 CGADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CCC[NH2+]CC1 ZINC000037389338 173172502 /nfs/dbraw/zinc/17/25/02/173172502.db2.gz HGAWZMBVKITOBT-UHFFFAOYSA-N 2 1 274.452 3.396 20 0 CGADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[NH2+]CC1 ZINC000037389338 173172504 /nfs/dbraw/zinc/17/25/04/173172504.db2.gz HGAWZMBVKITOBT-UHFFFAOYSA-N 2 1 274.452 3.396 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000127168338 287282196 /nfs/dbraw/zinc/28/21/96/287282196.db2.gz RCFFNYDOJQOVSC-ZDUSSCGKSA-N 2 1 280.481 3.477 20 0 CGADMP C[C@H]1CCC[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000050953386 416479208 /nfs/dbraw/zinc/47/92/08/416479208.db2.gz OKCBWEOYDLCONK-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404343482 416551907 /nfs/dbraw/zinc/55/19/07/416551907.db2.gz GAFHRGNKGSFILH-BBRMVZONSA-N 2 1 278.465 3.358 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)[C@@H]1CC[NH3+] ZINC000404451820 416555554 /nfs/dbraw/zinc/55/55/54/416555554.db2.gz ZFHAYIWWIUBSCY-RHSMWYFYSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)[C@@H]1CC[NH3+] ZINC000404451820 416555558 /nfs/dbraw/zinc/55/55/58/416555558.db2.gz ZFHAYIWWIUBSCY-RHSMWYFYSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000129584222 287335492 /nfs/dbraw/zinc/33/54/92/287335492.db2.gz AKHCFVFSJCELSN-VNQPRFMTSA-N 2 1 288.435 3.219 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000129584222 287335495 /nfs/dbraw/zinc/33/54/95/287335495.db2.gz AKHCFVFSJCELSN-VNQPRFMTSA-N 2 1 288.435 3.219 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000679444159 543637068 /nfs/dbraw/zinc/63/70/68/543637068.db2.gz UAYDMZNCULKWJO-NXHRZFHOSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCCCO)c1 ZINC000679334880 543620375 /nfs/dbraw/zinc/62/03/75/543620375.db2.gz FYPYSUCLIBEHRE-INIZCTEOSA-N 2 1 292.467 3.168 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]1C ZINC000679721565 543657346 /nfs/dbraw/zinc/65/73/46/543657346.db2.gz OSGLLTBJZQFTFW-LMSBXDPUSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000681052564 543761642 /nfs/dbraw/zinc/76/16/42/543761642.db2.gz JWCDVWDBODEIGV-MXSMSXNCSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682070726 543819130 /nfs/dbraw/zinc/81/91/30/543819130.db2.gz FYMNDBDYIQAPGS-UHFFFAOYSA-N 2 1 285.435 3.474 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682070726 543819133 /nfs/dbraw/zinc/81/91/33/543819133.db2.gz FYMNDBDYIQAPGS-UHFFFAOYSA-N 2 1 285.435 3.474 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683769746 543939672 /nfs/dbraw/zinc/93/96/72/543939672.db2.gz ZVXWPKSWRYKTIT-KRWDZBQOSA-N 2 1 297.446 3.445 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)CC1 ZINC000683789055 543942889 /nfs/dbraw/zinc/94/28/89/543942889.db2.gz WDNFWZLBAPMVOP-NVXWUHKLSA-N 2 1 258.409 3.090 20 0 CGADMP C[N@H+](Cc1ccc2cnccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000683826799 543944789 /nfs/dbraw/zinc/94/47/89/543944789.db2.gz QVPOROJKHPSVHG-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccc2cnccc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000683826799 543944792 /nfs/dbraw/zinc/94/47/92/543944792.db2.gz QVPOROJKHPSVHG-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccc2cnccc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000683826799 543944794 /nfs/dbraw/zinc/94/47/94/543944794.db2.gz QVPOROJKHPSVHG-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(C(C)C)s1 ZINC000132075861 287396250 /nfs/dbraw/zinc/39/62/50/287396250.db2.gz NZECRAQWWLBJHF-LBPRGKRZSA-N 2 1 292.452 3.197 20 0 CGADMP Oc1cccc2c(NC[C@@H]3CCCC[N@H+]3C3CC3)cc[nH+]c12 ZINC000684589504 544016695 /nfs/dbraw/zinc/01/66/95/544016695.db2.gz CNLSQTVDTOQZRG-AWEZNQCLSA-N 2 1 297.402 3.369 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000684373107 543987544 /nfs/dbraw/zinc/98/75/44/543987544.db2.gz RUVXJOPRAIJHOW-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000684373107 543987548 /nfs/dbraw/zinc/98/75/48/543987548.db2.gz RUVXJOPRAIJHOW-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000684394102 543992752 /nfs/dbraw/zinc/99/27/52/543992752.db2.gz WYOZZFNEGOSUCF-NBOOPKSLSA-N 2 1 294.483 3.187 20 0 CGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CC4CCC4)C3)C2)cc1 ZINC000352833929 227309317 /nfs/dbraw/zinc/30/93/17/227309317.db2.gz UCSLDJQTUYYPJT-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CC4CCC4)C3)C2)cc1 ZINC000352833929 227309321 /nfs/dbraw/zinc/30/93/21/227309321.db2.gz UCSLDJQTUYYPJT-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CC4CCC4)C3)C2)cc1 ZINC000352833929 227309323 /nfs/dbraw/zinc/30/93/23/227309323.db2.gz UCSLDJQTUYYPJT-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)CC2 ZINC000652220747 418937535 /nfs/dbraw/zinc/93/75/35/418937535.db2.gz IMMMNHFQXGWAKM-GOSISDBHSA-N 2 1 290.451 3.250 20 0 CGADMP CCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000652306793 418950978 /nfs/dbraw/zinc/95/09/78/418950978.db2.gz CWNGRINUFUSHCY-RCCFBDPRSA-N 2 1 272.436 3.211 20 0 CGADMP C(C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000652344278 418955993 /nfs/dbraw/zinc/95/59/93/418955993.db2.gz DPSRYGITSJIYSV-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348876 418956133 /nfs/dbraw/zinc/95/61/33/418956133.db2.gz ULNQKQQVWIYHKX-ARFHVFGLSA-N 2 1 282.472 3.031 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(C)c1OC(F)F ZINC000653279594 419022794 /nfs/dbraw/zinc/02/27/94/419022794.db2.gz RURKSYZTISXSGP-JSGCOSHPSA-N 2 1 298.377 3.216 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659975457 419050016 /nfs/dbraw/zinc/05/00/16/419050016.db2.gz LQOIXSSGOYFJLD-LTIDMASMSA-N 2 1 264.457 3.086 20 0 CGADMP COc1ccc(C[N@H+](CCCc2c[nH+]cn2C)C2CC2)cc1 ZINC000653480728 419034912 /nfs/dbraw/zinc/03/49/12/419034912.db2.gz NZUXWAGYXOOSOO-UHFFFAOYSA-N 2 1 299.418 3.026 20 0 CGADMP COc1ccc(C[N@@H+](CCCc2c[nH+]cn2C)C2CC2)cc1 ZINC000653480728 419034915 /nfs/dbraw/zinc/03/49/15/419034915.db2.gz NZUXWAGYXOOSOO-UHFFFAOYSA-N 2 1 299.418 3.026 20 0 CGADMP CCC(CC)(CC)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655732460 419081358 /nfs/dbraw/zinc/08/13/58/419081358.db2.gz CBZBVMMZLNYNSA-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1F ZINC000665247873 419090344 /nfs/dbraw/zinc/09/03/44/419090344.db2.gz LECCKWQRGDOUGB-CQSZACIVSA-N 2 1 250.361 3.138 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257488 419095688 /nfs/dbraw/zinc/09/56/88/419095688.db2.gz KZPJAKICHBPGDR-BASLNEPJSA-N 2 1 276.399 3.049 20 0 CGADMP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655789947 419099251 /nfs/dbraw/zinc/09/92/51/419099251.db2.gz BVRLBVZRRLDYEI-USXIJHARSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665275493 419099478 /nfs/dbraw/zinc/09/94/78/419099478.db2.gz LWNSWVISWWJPAH-SOUVJXGZSA-N 2 1 294.389 3.065 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCC2)cc1 ZINC000665279001 419101100 /nfs/dbraw/zinc/10/11/00/419101100.db2.gz UKEMVRLUIYUBAG-GMXGEUMGSA-N 2 1 270.420 3.178 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280139 419101781 /nfs/dbraw/zinc/10/17/81/419101781.db2.gz ULWHHUKVMNZXBE-KZGIRGLMSA-N 2 1 295.430 3.195 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280284 419101946 /nfs/dbraw/zinc/10/19/46/419101946.db2.gz XVBAGBJTTVFUTA-NBIFXARBSA-N 2 1 270.420 3.213 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000665297395 419110468 /nfs/dbraw/zinc/11/04/68/419110468.db2.gz FJSMAZYXYRPHST-CORIIIEPSA-N 2 1 266.816 3.174 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccccc1C)C1CCCC1 ZINC000665297685 419110871 /nfs/dbraw/zinc/11/08/71/419110871.db2.gz JUUUQCWONQNPGC-RHSMWYFYSA-N 2 1 260.425 3.424 20 0 CGADMP CSc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659983753 419055381 /nfs/dbraw/zinc/05/53/81/419055381.db2.gz UVJCXLYRKPZLHO-DZGCQCFKSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659983753 419055387 /nfs/dbraw/zinc/05/53/87/419055387.db2.gz UVJCXLYRKPZLHO-DZGCQCFKSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000659983753 419055390 /nfs/dbraw/zinc/05/53/90/419055390.db2.gz UVJCXLYRKPZLHO-DZGCQCFKSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000659983753 419055393 /nfs/dbraw/zinc/05/53/93/419055393.db2.gz UVJCXLYRKPZLHO-DZGCQCFKSA-N 2 1 278.465 3.323 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000655682960 419063593 /nfs/dbraw/zinc/06/35/93/419063593.db2.gz OCNBQZNOINFZTP-RBSFLKMASA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CS1 ZINC000655695354 419067185 /nfs/dbraw/zinc/06/71/85/419067185.db2.gz KFVCPQNQACNFPW-RDJZCZTQSA-N 2 1 292.492 3.382 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000653664610 419067641 /nfs/dbraw/zinc/06/76/41/419067641.db2.gz LAJYUOHRSVDHCV-UHFFFAOYSA-N 2 1 271.408 3.220 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000653664610 419067644 /nfs/dbraw/zinc/06/76/44/419067644.db2.gz LAJYUOHRSVDHCV-UHFFFAOYSA-N 2 1 271.408 3.220 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CCC2)[C@@H](C)C1 ZINC000660083612 419072735 /nfs/dbraw/zinc/07/27/35/419072735.db2.gz VEMJKOKWKDUQQP-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2CCC2)[C@@H](C)C1 ZINC000660083612 419072739 /nfs/dbraw/zinc/07/27/39/419072739.db2.gz VEMJKOKWKDUQQP-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2CCC2)[C@@H](C)C1 ZINC000660083612 419072743 /nfs/dbraw/zinc/07/27/43/419072743.db2.gz VEMJKOKWKDUQQP-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)=CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000660115172 419079213 /nfs/dbraw/zinc/07/92/13/419079213.db2.gz LRECEDCUQBKZDC-RDJZCZTQSA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000660115172 419079216 /nfs/dbraw/zinc/07/92/16/419079216.db2.gz LRECEDCUQBKZDC-RDJZCZTQSA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000660115172 419079219 /nfs/dbraw/zinc/07/92/19/419079219.db2.gz LRECEDCUQBKZDC-RDJZCZTQSA-N 2 1 262.441 3.291 20 0 CGADMP c1ccc([C@H]2C[C@H]2[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000660115207 419079279 /nfs/dbraw/zinc/07/92/79/419079279.db2.gz MONXMLLDBXWYIH-VBSBHUPXSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000660115207 419079284 /nfs/dbraw/zinc/07/92/84/419079284.db2.gz MONXMLLDBXWYIH-VBSBHUPXSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660115207 419079287 /nfs/dbraw/zinc/07/92/87/419079287.db2.gz MONXMLLDBXWYIH-VBSBHUPXSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660115207 419079291 /nfs/dbraw/zinc/07/92/91/419079291.db2.gz MONXMLLDBXWYIH-VBSBHUPXSA-N 2 1 296.458 3.491 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCC1CCCC1)C2 ZINC000660657518 419176641 /nfs/dbraw/zinc/17/66/41/419176641.db2.gz QSZKBHQYHTZMFY-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCC1CCCC1)C2 ZINC000660657518 419176644 /nfs/dbraw/zinc/17/66/44/419176644.db2.gz QSZKBHQYHTZMFY-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCC1CCCC1)C2 ZINC000660657518 419176647 /nfs/dbraw/zinc/17/66/47/419176647.db2.gz QSZKBHQYHTZMFY-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP CC1CCC(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000660662038 419179886 /nfs/dbraw/zinc/17/98/86/419179886.db2.gz HAGDOYAHOLPFHT-JCYILVPMSA-N 2 1 264.457 3.230 20 0 CGADMP CC1CCC(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000660662038 419179889 /nfs/dbraw/zinc/17/98/89/419179889.db2.gz HAGDOYAHOLPFHT-JCYILVPMSA-N 2 1 264.457 3.230 20 0 CGADMP CC1CCC(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660662038 419179891 /nfs/dbraw/zinc/17/98/91/419179891.db2.gz HAGDOYAHOLPFHT-JCYILVPMSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657304388 419246914 /nfs/dbraw/zinc/24/69/14/419246914.db2.gz GUSVTPIQMDLRJV-UHFFFAOYSA-N 2 1 277.437 3.116 20 0 CGADMP CCc1cccc2cc(CNC[C@@H]3CC[N@H+](CC)C3)oc21 ZINC000657314789 419248067 /nfs/dbraw/zinc/24/80/67/419248067.db2.gz ADAHMPUEFUWYRT-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](CC)C3)oc21 ZINC000657314789 419248069 /nfs/dbraw/zinc/24/80/69/419248069.db2.gz ADAHMPUEFUWYRT-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@@H]3CC[N@H+](CC)C3)oc21 ZINC000657314789 419248072 /nfs/dbraw/zinc/24/80/72/419248072.db2.gz ADAHMPUEFUWYRT-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP COCc1csc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000657384358 419265931 /nfs/dbraw/zinc/26/59/31/419265931.db2.gz UZDPLJYSQUSNDZ-UHFFFAOYSA-N 2 1 298.496 3.493 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cscc2Cl)C1 ZINC000657182797 419229989 /nfs/dbraw/zinc/22/99/89/419229989.db2.gz UVCKTOUXXWXJET-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838499 419302934 /nfs/dbraw/zinc/30/29/34/419302934.db2.gz GFLFXOIAXVRIJQ-OAGGEKHMSA-N 2 1 294.483 3.187 20 0 CGADMP c1cc(C[NH+]2CC[C@@H]3C[C@@H]3C2)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661967278 419317097 /nfs/dbraw/zinc/31/70/97/419317097.db2.gz CTDUPWJFVQHYIQ-UAFMIMERSA-N 2 1 296.458 3.370 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970997 419317346 /nfs/dbraw/zinc/31/73/46/419317346.db2.gz GVJRALYGFNJNTO-UAFMIMERSA-N 2 1 296.458 3.370 20 0 CGADMP CCOC1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000657848626 419388884 /nfs/dbraw/zinc/38/88/84/419388884.db2.gz SWXGXURZHGLJAO-NJINODPHSA-N 2 1 282.472 3.044 20 0 CGADMP CCOC1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000657848626 419388887 /nfs/dbraw/zinc/38/88/87/419388887.db2.gz SWXGXURZHGLJAO-NJINODPHSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H]1CCC[NH3+] ZINC000662311762 419389072 /nfs/dbraw/zinc/38/90/72/419389072.db2.gz DUMOEQFWKUDUEZ-OVYGPGRDSA-N 2 1 264.457 3.262 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCSCC1)C1CCCCC1 ZINC000657854939 419389378 /nfs/dbraw/zinc/38/93/78/419389378.db2.gz YVGUBONRWNMDMQ-CQSZACIVSA-N 2 1 270.486 3.126 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCSCC1)C1CCCCC1 ZINC000657854939 419389383 /nfs/dbraw/zinc/38/93/83/419389383.db2.gz YVGUBONRWNMDMQ-CQSZACIVSA-N 2 1 270.486 3.126 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000662313174 419390464 /nfs/dbraw/zinc/39/04/64/419390464.db2.gz KNJWLRSCXCXUPM-HNNXBMFYSA-N 2 1 278.415 3.427 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000657870778 419395628 /nfs/dbraw/zinc/39/56/28/419395628.db2.gz FXUBLEXWEVWMGV-OLZOCXBDSA-N 2 1 276.415 3.376 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657818764 419367380 /nfs/dbraw/zinc/36/73/80/419367380.db2.gz XPBNSWHSSXVVRM-LBPRGKRZSA-N 2 1 285.382 3.402 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662238741 419369264 /nfs/dbraw/zinc/36/92/64/419369264.db2.gz VIDFAPAUQYZERV-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H](C1CC1)[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662252739 419374308 /nfs/dbraw/zinc/37/43/08/419374308.db2.gz SPXDPJRMWVBLAN-CYBMUJFWSA-N 2 1 270.420 3.095 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662264763 419375468 /nfs/dbraw/zinc/37/54/68/419375468.db2.gz LBFPLNANMJIGQD-MGPQQGTHSA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)[N@@H+](Cc1ccccn1)Cc1cccc2c1CC[NH2+]C2 ZINC000662259872 419375534 /nfs/dbraw/zinc/37/55/34/419375534.db2.gz CYNINHBQMBNONC-UHFFFAOYSA-N 2 1 295.430 3.138 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662264472 419376074 /nfs/dbraw/zinc/37/60/74/419376074.db2.gz DNBJFDMSEWJLMJ-ZFWWWQNUSA-N 2 1 260.425 3.153 20 0 CGADMP CC(C)=CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662274817 419381813 /nfs/dbraw/zinc/38/18/13/419381813.db2.gz XIEKAQXMDNCGJR-HOTGVXAUSA-N 2 1 250.430 3.054 20 0 CGADMP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662274771 419382902 /nfs/dbraw/zinc/38/29/02/419382902.db2.gz MAMRJSVGNAZHOW-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662274771 419382905 /nfs/dbraw/zinc/38/29/05/419382905.db2.gz MAMRJSVGNAZHOW-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293690 419385694 /nfs/dbraw/zinc/38/56/94/419385694.db2.gz MCMROGZHTNHISF-ZFWWWQNUSA-N 2 1 288.426 3.379 20 0 CGADMP C([NH2+]C1CCC2(CC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345901 419567804 /nfs/dbraw/zinc/56/78/04/419567804.db2.gz OFGZKGCRCZUASH-MRXNPFEDSA-N 2 1 276.468 3.421 20 0 CGADMP C([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000663347662 419569583 /nfs/dbraw/zinc/56/95/83/419569583.db2.gz ROKCCZMJECXFNZ-KRWDZBQOSA-N 2 1 264.457 3.278 20 0 CGADMP FC1(F)CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343774 419569619 /nfs/dbraw/zinc/56/96/19/419569619.db2.gz FCHAXWTUKWLULB-CQSZACIVSA-N 2 1 286.410 3.276 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccncc1 ZINC000663466132 419614555 /nfs/dbraw/zinc/61/45/55/419614555.db2.gz OMCBRCQUDHRLFB-AEFFLSMTSA-N 2 1 287.451 3.244 20 0 CGADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466034 419617427 /nfs/dbraw/zinc/61/74/27/419617427.db2.gz NFNQJOKUIWKTCS-QAPCUYQASA-N 2 1 276.468 3.277 20 0 CGADMP CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468492 419620975 /nfs/dbraw/zinc/62/09/75/419620975.db2.gz LKRPYWWGXADJSQ-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP C1CC12CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230675 419690682 /nfs/dbraw/zinc/69/06/82/419690682.db2.gz QKOYIVRMBZPTBS-GDBMZVCRSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC12CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230675 419690688 /nfs/dbraw/zinc/69/06/88/419690688.db2.gz QKOYIVRMBZPTBS-GDBMZVCRSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC000658229359 419690951 /nfs/dbraw/zinc/69/09/51/419690951.db2.gz QVLIEKOXSRRXHS-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC000658229359 419690960 /nfs/dbraw/zinc/69/09/60/419690960.db2.gz QVLIEKOXSRRXHS-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658256812 419713344 /nfs/dbraw/zinc/71/33/44/419713344.db2.gz ZMZLZWUVTHOKQQ-HZPDHXFCSA-N 2 1 294.483 3.187 20 0 CGADMP CCCOc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000322950266 260030740 /nfs/dbraw/zinc/03/07/40/260030740.db2.gz SMVPBQPYSUUXAB-ALOPSCKCSA-N 2 1 288.435 3.190 20 0 CGADMP CCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000322950266 260030743 /nfs/dbraw/zinc/03/07/43/260030743.db2.gz SMVPBQPYSUUXAB-ALOPSCKCSA-N 2 1 288.435 3.190 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000221936536 262333438 /nfs/dbraw/zinc/33/34/38/262333438.db2.gz CZNLSAZWXQMZLF-FDYHWXHSSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000221936536 262333440 /nfs/dbraw/zinc/33/34/40/262333440.db2.gz CZNLSAZWXQMZLF-FDYHWXHSSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000390806835 262347861 /nfs/dbraw/zinc/34/78/61/262347861.db2.gz LBULGJHDVUMPCD-ATLSCFEFSA-N 2 1 272.436 3.143 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)[NH+]1CCCC1 ZINC000035258581 270027425 /nfs/dbraw/zinc/02/74/25/270027425.db2.gz NKSAVYYYMBKYFB-RBUKOAKNSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000043533648 270034651 /nfs/dbraw/zinc/03/46/51/270034651.db2.gz YFLYRKSWOKJQKP-KBAYOESNSA-N 2 1 272.436 3.397 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044534282 270035787 /nfs/dbraw/zinc/03/57/87/270035787.db2.gz UJKJGYTWEHJTNU-GXTWGEPZSA-N 2 1 266.454 3.357 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000045692451 270038766 /nfs/dbraw/zinc/03/87/66/270038766.db2.gz WUGXBHYNVJYPEI-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP C[NH+](CCCc1cccc(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000182806899 270054558 /nfs/dbraw/zinc/05/45/58/270054558.db2.gz DLXDFVMNQXGPOI-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP C[NH+](CCCc1cccc(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000182806899 270054559 /nfs/dbraw/zinc/05/45/59/270054559.db2.gz DLXDFVMNQXGPOI-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218952437 270085592 /nfs/dbraw/zinc/08/55/92/270085592.db2.gz RTRBEQAHMHFMDQ-CHWSQXEVSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@@H]1C[C@H](CC[NH2+]CC2(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000526984208 270123884 /nfs/dbraw/zinc/12/38/84/270123884.db2.gz LSNPEDCPRSFVLA-WBVHZDCISA-N 2 1 290.426 3.379 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000527115718 270125893 /nfs/dbraw/zinc/12/58/93/270125893.db2.gz KYDFQNOSMXYETA-HZMVEIRTSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000527115718 270125894 /nfs/dbraw/zinc/12/58/94/270125894.db2.gz KYDFQNOSMXYETA-HZMVEIRTSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000527115718 270125895 /nfs/dbraw/zinc/12/58/95/270125895.db2.gz KYDFQNOSMXYETA-HZMVEIRTSA-N 2 1 266.473 3.475 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527637690 270130266 /nfs/dbraw/zinc/13/02/66/270130266.db2.gz KXAQZZFPYZAKOL-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cs1 ZINC000527811818 270137868 /nfs/dbraw/zinc/13/78/68/270137868.db2.gz SLCMODKCXBXXOJ-OAHLLOKOSA-N 2 1 264.438 3.163 20 0 CGADMP Cc1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)cs1 ZINC000527811818 270137869 /nfs/dbraw/zinc/13/78/69/270137869.db2.gz SLCMODKCXBXXOJ-OAHLLOKOSA-N 2 1 264.438 3.163 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527892786 270142307 /nfs/dbraw/zinc/14/23/07/270142307.db2.gz OSTBCIGUAMSSJV-OAHLLOKOSA-N 2 1 293.773 3.032 20 0 CGADMP C/C(Cl)=C\C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000528370618 270162632 /nfs/dbraw/zinc/16/26/32/270162632.db2.gz GRJIASZHKCKFNJ-WLRTZDKTSA-N 2 1 258.837 3.181 20 0 CGADMP C/C(Cl)=C\C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000528386517 270162944 /nfs/dbraw/zinc/16/29/44/270162944.db2.gz IPMWDBNYZGHSHD-TZWLIRKLSA-N 2 1 279.815 3.266 20 0 CGADMP C/C(Cl)=C\C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000528386517 270162945 /nfs/dbraw/zinc/16/29/45/270162945.db2.gz IPMWDBNYZGHSHD-TZWLIRKLSA-N 2 1 279.815 3.266 20 0 CGADMP C/C(Cl)=C/C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000528386512 270163026 /nfs/dbraw/zinc/16/30/26/270163026.db2.gz IPMWDBNYZGHSHD-NFEOESJKSA-N 2 1 279.815 3.266 20 0 CGADMP C/C(Cl)=C/C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000528386512 270163027 /nfs/dbraw/zinc/16/30/27/270163027.db2.gz IPMWDBNYZGHSHD-NFEOESJKSA-N 2 1 279.815 3.266 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC000528391718 270163613 /nfs/dbraw/zinc/16/36/13/270163613.db2.gz AHIPMHPMAWYKRP-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000528414683 270164573 /nfs/dbraw/zinc/16/45/73/270164573.db2.gz FUQXPTYATRZGEJ-UKRRQHHQSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000528414683 270164574 /nfs/dbraw/zinc/16/45/74/270164574.db2.gz FUQXPTYATRZGEJ-UKRRQHHQSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000528414683 270164575 /nfs/dbraw/zinc/16/45/75/270164575.db2.gz FUQXPTYATRZGEJ-UKRRQHHQSA-N 2 1 252.446 3.085 20 0 CGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000529528563 270182759 /nfs/dbraw/zinc/18/27/59/270182759.db2.gz JZRIYGACPDUWAH-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000529528563 270182762 /nfs/dbraw/zinc/18/27/62/270182762.db2.gz JZRIYGACPDUWAH-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000529528563 270182763 /nfs/dbraw/zinc/18/27/63/270182763.db2.gz JZRIYGACPDUWAH-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530222043 270196721 /nfs/dbraw/zinc/19/67/21/270196721.db2.gz QBSJCSZPOWCSHW-DLBZAZTESA-N 2 1 270.420 3.328 20 0 CGADMP CC(C)C[N@H+](CCc1ccc(F)cc1)CC[C@H]1CC[NH2+]C1 ZINC000530238351 270197081 /nfs/dbraw/zinc/19/70/81/270197081.db2.gz PXTVFOUTGJINFJ-QGZVFWFLSA-N 2 1 292.442 3.326 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1 ZINC000530244512 270197279 /nfs/dbraw/zinc/19/72/79/270197279.db2.gz MARZHHCSYPCOMF-IUODEOHRSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000530249278 270197535 /nfs/dbraw/zinc/19/75/35/270197535.db2.gz UOVSZMRYFASFNP-HOCLYGCPSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000530413167 270199452 /nfs/dbraw/zinc/19/94/52/270199452.db2.gz BLVCHWQJMKFNCQ-OLZOCXBDSA-N 2 1 291.826 3.398 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000531931936 270210809 /nfs/dbraw/zinc/21/08/09/270210809.db2.gz VCTKYJUKRUSUAY-MAUKXSAKSA-N 2 1 274.452 3.425 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000531682954 270208566 /nfs/dbraw/zinc/20/85/66/270208566.db2.gz WHCDOLIBAIEVNM-WMZOPIPTSA-N 2 1 296.499 3.293 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1Cl ZINC000531962216 270211513 /nfs/dbraw/zinc/21/15/13/270211513.db2.gz ALHKXSYLZWXTQQ-NEPJUHHUSA-N 2 1 284.831 3.339 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000531957096 270211715 /nfs/dbraw/zinc/21/17/15/270211715.db2.gz GVWWLRJRJUGPKQ-RDJZCZTQSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000531957096 270211716 /nfs/dbraw/zinc/21/17/16/270211716.db2.gz GVWWLRJRJUGPKQ-RDJZCZTQSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000532565285 270217301 /nfs/dbraw/zinc/21/73/01/270217301.db2.gz AOGKKOMGFDVTCC-GDBMZVCRSA-N 2 1 269.392 3.493 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734654 270219168 /nfs/dbraw/zinc/21/91/68/270219168.db2.gz ZPHMQQICKJSSLW-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734654 270219169 /nfs/dbraw/zinc/21/91/69/270219169.db2.gz ZPHMQQICKJSSLW-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734654 270219170 /nfs/dbraw/zinc/21/91/70/270219170.db2.gz ZPHMQQICKJSSLW-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCCc2ccc(Cl)cc21)[C@H](C)[NH3+] ZINC000423435914 274261287 /nfs/dbraw/zinc/26/12/87/274261287.db2.gz DUPVZPNNHCSEHL-RWSFTLGLSA-N 2 1 266.816 3.433 20 0 CGADMP C[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1C[NH3+] ZINC000253197282 274563357 /nfs/dbraw/zinc/56/33/57/274563357.db2.gz UPQZMBFRJLSSFS-NWDGAFQWSA-N 2 1 289.810 3.309 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508527079 275398628 /nfs/dbraw/zinc/39/86/28/275398628.db2.gz GICUKYVQWSAIRM-XOQYZJNISA-N 2 1 272.436 3.364 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000508527079 275398629 /nfs/dbraw/zinc/39/86/29/275398629.db2.gz GICUKYVQWSAIRM-XOQYZJNISA-N 2 1 272.436 3.364 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000508527079 275398630 /nfs/dbraw/zinc/39/86/30/275398630.db2.gz GICUKYVQWSAIRM-XOQYZJNISA-N 2 1 272.436 3.364 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000353970315 276009253 /nfs/dbraw/zinc/00/92/53/276009253.db2.gz CRVOWSZKTVLOQV-OAGGEKHMSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000353970315 276009254 /nfs/dbraw/zinc/00/92/54/276009254.db2.gz CRVOWSZKTVLOQV-OAGGEKHMSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@]2(C)CCCO2)c1 ZINC000340476242 276075869 /nfs/dbraw/zinc/07/58/69/276075869.db2.gz HGIPXFAZDJFDTM-CRAIPNDOSA-N 2 1 290.451 3.186 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000350262403 276100629 /nfs/dbraw/zinc/10/06/29/276100629.db2.gz ZGSKZJAWWHDRHV-AEFFLSMTSA-N 2 1 290.451 3.180 20 0 CGADMP CC1(C)Cc2cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])ccc2O1 ZINC000352526311 276150654 /nfs/dbraw/zinc/15/06/54/276150654.db2.gz MLJPVUFTCQJVOZ-MRXNPFEDSA-N 2 1 288.435 3.103 20 0 CGADMP CC1CCC([N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000420325701 276189831 /nfs/dbraw/zinc/18/98/31/276189831.db2.gz WSKRYTRIPAXQEN-SLTAFYQDSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414854780 276574473 /nfs/dbraw/zinc/57/44/73/276574473.db2.gz VLXNEMAEWQVRGV-SJORKVTESA-N 2 1 262.441 3.279 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332125 277139213 /nfs/dbraw/zinc/13/92/13/277139213.db2.gz RIFMUUMRVMXXPG-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP COC[C@H](CC(C)C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000359935842 277259681 /nfs/dbraw/zinc/25/96/81/277259681.db2.gz QMEJVFQOBQDOLG-IRXDYDNUSA-N 2 1 284.488 3.149 20 0 CGADMP C[NH2+]CCC[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000435872193 277267681 /nfs/dbraw/zinc/26/76/81/277267681.db2.gz XDDFPFZEIZNDIV-KRWDZBQOSA-N 2 1 276.424 3.222 20 0 CGADMP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415088805 277333318 /nfs/dbraw/zinc/33/33/18/277333318.db2.gz MLWOPZVSDFETOJ-WQVCFCJDSA-N 2 1 298.858 3.379 20 0 CGADMP CC(C)C1CCC([N@@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000232544590 277340516 /nfs/dbraw/zinc/34/05/16/277340516.db2.gz PIMBOLTVQVTQBH-QQFBHYJXSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361315613 277366490 /nfs/dbraw/zinc/36/64/90/277366490.db2.gz LOYMVFBWVZSXHL-JZXOWHBKSA-N 2 1 296.499 3.026 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060052 277390140 /nfs/dbraw/zinc/39/01/40/277390140.db2.gz VDKBNKUYWCKHLI-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000354220444 277451519 /nfs/dbraw/zinc/45/15/19/277451519.db2.gz YJVXTCUJFAOLGN-IRXDYDNUSA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000400330881 277918586 /nfs/dbraw/zinc/91/85/86/277918586.db2.gz CTJLTHPGXJNLFO-MAZHCROVSA-N 2 1 264.388 3.253 20 0 CGADMP CC(C)=CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000393907488 288000909 /nfs/dbraw/zinc/00/09/09/288000909.db2.gz IZXABYHTRPTYBN-OALUTQOASA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)=CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000393907488 288000912 /nfs/dbraw/zinc/00/09/12/288000912.db2.gz IZXABYHTRPTYBN-OALUTQOASA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)=CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000393907488 288000913 /nfs/dbraw/zinc/00/09/13/288000913.db2.gz IZXABYHTRPTYBN-OALUTQOASA-N 2 1 284.447 3.407 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CCCC1 ZINC000474613659 278190159 /nfs/dbraw/zinc/19/01/59/278190159.db2.gz FBDLYRGMOGPWIC-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CCCC1 ZINC000474613659 278190161 /nfs/dbraw/zinc/19/01/61/278190161.db2.gz FBDLYRGMOGPWIC-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414653803 278194629 /nfs/dbraw/zinc/19/46/29/278194629.db2.gz IJAVNKCMUFJXPD-NEPJUHHUSA-N 2 1 286.341 3.090 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)s1 ZINC000397281355 288022564 /nfs/dbraw/zinc/02/25/64/288022564.db2.gz APMPDIZUMOMZMD-PGUXBMHVSA-N 2 1 266.454 3.170 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C\c2ccccc2)C[C@@H]1C[NH3+] ZINC000397399768 288023335 /nfs/dbraw/zinc/02/33/35/288023335.db2.gz QPIUGDQNVBMDPD-KCOYDGFKSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000226331108 278228017 /nfs/dbraw/zinc/22/80/17/278228017.db2.gz OEWXPBDYBFGQLX-SDDRHHMPSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000226331108 278228019 /nfs/dbraw/zinc/22/80/19/278228019.db2.gz OEWXPBDYBFGQLX-SDDRHHMPSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC1(C)C ZINC000397571139 288024443 /nfs/dbraw/zinc/02/44/43/288024443.db2.gz DVVAAYKYNYHNFZ-LSDHHAIUSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000360240548 278255317 /nfs/dbraw/zinc/25/53/17/278255317.db2.gz FYJRIMVRYDYXHD-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000360240548 278255318 /nfs/dbraw/zinc/25/53/18/278255318.db2.gz FYJRIMVRYDYXHD-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(F)cc(F)c1 ZINC000423532941 278279140 /nfs/dbraw/zinc/27/91/40/278279140.db2.gz SDUMGESHZOZTDL-ZUZCIYMTSA-N 2 1 268.351 3.133 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854314 278297598 /nfs/dbraw/zinc/29/75/98/278297598.db2.gz UUHAYJIAWDDJSY-SUMWQHHRSA-N 2 1 278.415 3.254 20 0 CGADMP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265641956 278313991 /nfs/dbraw/zinc/31/39/91/278313991.db2.gz KDVBPVMDCKDCSP-NVXWUHKLSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265641956 278313992 /nfs/dbraw/zinc/31/39/92/278313992.db2.gz KDVBPVMDCKDCSP-NVXWUHKLSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337525940 278341090 /nfs/dbraw/zinc/34/10/90/278341090.db2.gz RPJLEWLVWNSPLM-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337525940 278341093 /nfs/dbraw/zinc/34/10/93/278341093.db2.gz RPJLEWLVWNSPLM-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000356879437 278344305 /nfs/dbraw/zinc/34/43/05/278344305.db2.gz TVOTWHYWQSDQET-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000422910815 278365523 /nfs/dbraw/zinc/36/55/23/278365523.db2.gz JKSHNJXDXSZONH-AGIUHOORSA-N 2 1 293.480 3.061 20 0 CGADMP C[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC12CCC2 ZINC000357036047 278367860 /nfs/dbraw/zinc/36/78/60/278367860.db2.gz JXJBWXCCLKKNLI-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC12CCC2 ZINC000357036047 278367862 /nfs/dbraw/zinc/36/78/62/278367862.db2.gz JXJBWXCCLKKNLI-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC12CCC2 ZINC000357036047 278367863 /nfs/dbraw/zinc/36/78/63/278367863.db2.gz JXJBWXCCLKKNLI-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1F ZINC000163828351 288058936 /nfs/dbraw/zinc/05/89/36/288058936.db2.gz IXGIAUNZXBYXFE-WFASDCNBSA-N 2 1 252.377 3.207 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(Cl)c1 ZINC000423279349 288084727 /nfs/dbraw/zinc/08/47/27/288084727.db2.gz RLLPYMDQJOYDAB-UONOGXRCSA-N 2 1 252.789 3.118 20 0 CGADMP Clc1ccccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459388385 288087451 /nfs/dbraw/zinc/08/74/51/288087451.db2.gz LNIDUNZSZSODHH-UHFFFAOYSA-N 2 1 278.827 3.099 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CCCOC)c1 ZINC000178737428 279040791 /nfs/dbraw/zinc/04/07/91/279040791.db2.gz RLMBAJJPNGZXCH-OAHLLOKOSA-N 2 1 278.440 3.043 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000507498107 279097460 /nfs/dbraw/zinc/09/74/60/279097460.db2.gz UEFSVDANLKVJEL-ROUUACIJSA-N 2 1 297.531 3.064 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459745897 288100799 /nfs/dbraw/zinc/10/07/99/288100799.db2.gz YTEJAHZTWBHAAF-IYICPGQYSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126321641 288101709 /nfs/dbraw/zinc/10/17/09/288101709.db2.gz FMFIMEOFYWLUEC-RYRKJORJSA-N 2 1 286.463 3.427 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414651357 279177199 /nfs/dbraw/zinc/17/71/99/279177199.db2.gz CFQJJOBJSLTYNJ-YDZRNGNQSA-N 2 1 284.447 3.323 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414651357 279177201 /nfs/dbraw/zinc/17/72/01/279177201.db2.gz CFQJJOBJSLTYNJ-YDZRNGNQSA-N 2 1 284.447 3.323 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000226436636 279219456 /nfs/dbraw/zinc/21/94/56/279219456.db2.gz RIIPNCPADKUHKS-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414939716 279254155 /nfs/dbraw/zinc/25/41/55/279254155.db2.gz ZXPOVLFCTKJRSL-NEPJUHHUSA-N 2 1 280.378 3.475 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414655814 279311250 /nfs/dbraw/zinc/31/12/50/279311250.db2.gz HMLFBRSXUIRAIE-RISCZKNCSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414655814 279311252 /nfs/dbraw/zinc/31/12/52/279311252.db2.gz HMLFBRSXUIRAIE-RISCZKNCSA-N 2 1 286.341 3.232 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353572627 279383114 /nfs/dbraw/zinc/38/31/14/279383114.db2.gz YLGQXEMJHQOGMX-HNNXBMFYSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353572627 279383116 /nfs/dbraw/zinc/38/31/16/279383116.db2.gz YLGQXEMJHQOGMX-HNNXBMFYSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCc2sccc21)c1c[nH+]ccc1N ZINC000335058427 279540465 /nfs/dbraw/zinc/54/04/65/279540465.db2.gz ITWNBFZSHPSPDG-HZMBPMFUSA-N 2 1 273.405 3.284 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2C2CC2)C[C@H](C)O1 ZINC000359317432 288160095 /nfs/dbraw/zinc/16/00/95/288160095.db2.gz WBHQPAOUYHJLRJ-CYGHRXIMSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000339408201 280238981 /nfs/dbraw/zinc/23/89/81/280238981.db2.gz RJTRQPQCDQGJQY-BHYGNILZSA-N 2 1 260.425 3.095 20 0 CGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000335191477 280274167 /nfs/dbraw/zinc/27/41/67/280274167.db2.gz FDZHYZVRDVEKLY-LBPRGKRZSA-N 2 1 258.365 3.144 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376675274 280329326 /nfs/dbraw/zinc/32/93/26/280329326.db2.gz XYSZENXFSNATSV-UTSKFRMZSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530213578 288300829 /nfs/dbraw/zinc/30/08/29/288300829.db2.gz ANYBYDFSCLFDMT-BLLLJJGKSA-N 2 1 294.389 3.160 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414687477 281366318 /nfs/dbraw/zinc/36/63/18/281366318.db2.gz BVKVYIAKBVJXQN-GVDBMIGSSA-N 2 1 272.436 3.172 20 0 CGADMP Clc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000532449510 288361454 /nfs/dbraw/zinc/36/14/54/288361454.db2.gz KXPVQLWJPMNCFU-YVEFUNNKSA-N 2 1 290.838 3.401 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000532469317 288363091 /nfs/dbraw/zinc/36/30/91/288363091.db2.gz GMJQQMTZDWEJJE-INMHGKMJSA-N 2 1 260.425 3.110 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CCCC1 ZINC000474033289 282044460 /nfs/dbraw/zinc/04/44/60/282044460.db2.gz KZKCTDQFOYYKSR-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCCCC1 ZINC000510706106 282045231 /nfs/dbraw/zinc/04/52/31/282045231.db2.gz SBLCXRAJFNGDSN-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCc4ccccc4C3)C2)C1 ZINC000549839880 289055597 /nfs/dbraw/zinc/05/55/97/289055597.db2.gz BIIYQLJCSVWRRR-YLJYHZDGSA-N 2 1 298.474 3.209 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000549860878 289057163 /nfs/dbraw/zinc/05/71/63/289057163.db2.gz SVSAOVRMCWONFW-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000549860878 289057164 /nfs/dbraw/zinc/05/71/64/289057164.db2.gz SVSAOVRMCWONFW-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000549860878 289057170 /nfs/dbraw/zinc/05/71/70/289057170.db2.gz SVSAOVRMCWONFW-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866498 289057712 /nfs/dbraw/zinc/05/77/12/289057712.db2.gz ZZVCAQCUBGIFEN-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866498 289057715 /nfs/dbraw/zinc/05/77/15/289057715.db2.gz ZZVCAQCUBGIFEN-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866498 289057717 /nfs/dbraw/zinc/05/77/17/289057717.db2.gz ZZVCAQCUBGIFEN-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550123161 289067335 /nfs/dbraw/zinc/06/73/35/289067335.db2.gz PEICUJZIMAGNJB-KDOFPFPSSA-N 2 1 272.436 3.384 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000550621115 289079148 /nfs/dbraw/zinc/07/91/48/289079148.db2.gz CLKWRFZJIMSLMC-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000551132177 289099708 /nfs/dbraw/zinc/09/97/08/289099708.db2.gz DDXDDLQWEMFYNC-IAGOWNOFSA-N 2 1 270.420 3.354 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000551132177 289099710 /nfs/dbraw/zinc/09/97/10/289099710.db2.gz DDXDDLQWEMFYNC-IAGOWNOFSA-N 2 1 270.420 3.354 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552111348 289164351 /nfs/dbraw/zinc/16/43/51/289164351.db2.gz YOIMUVZVIRXQAM-ZBFHGGJFSA-N 2 1 278.465 3.097 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552111348 289164352 /nfs/dbraw/zinc/16/43/52/289164352.db2.gz YOIMUVZVIRXQAM-ZBFHGGJFSA-N 2 1 278.465 3.097 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552111348 289164353 /nfs/dbraw/zinc/16/43/53/289164353.db2.gz YOIMUVZVIRXQAM-ZBFHGGJFSA-N 2 1 278.465 3.097 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC000553506897 289228065 /nfs/dbraw/zinc/22/80/65/289228065.db2.gz BNJYEHBHRPCTIC-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554364282 289275966 /nfs/dbraw/zinc/27/59/66/289275966.db2.gz XJZXWZDVURQEFS-MISYRCLQSA-N 2 1 298.474 3.329 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000554875172 289316031 /nfs/dbraw/zinc/31/60/31/289316031.db2.gz VHGZTHFREHOBLA-PVAVHDDUSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699931 290227514 /nfs/dbraw/zinc/22/75/14/290227514.db2.gz WZJZDECFVZJJEU-UTUOFQBUSA-N 2 1 252.789 3.070 20 0 CGADMP Clc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346820720 294116359 /nfs/dbraw/zinc/11/63/59/294116359.db2.gz IFPABXWQFUSXSM-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000423259914 528533126 /nfs/dbraw/zinc/53/31/26/528533126.db2.gz GBJOUYVFRBTPPK-BDAKNGLRSA-N 2 1 291.258 3.145 20 0 CGADMP [NH3+]CC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423193050 303383410 /nfs/dbraw/zinc/38/34/10/303383410.db2.gz WJACIKORWKYKQQ-KBPBESRZSA-N 2 1 286.341 3.280 20 0 CGADMP c1cc2cc[nH+]cc2c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000312645072 321958737 /nfs/dbraw/zinc/95/87/37/321958737.db2.gz XSYIBBQGLILHPY-UHFFFAOYSA-N 2 1 267.376 3.274 20 0 CGADMP Clc1cc2c(s1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000563535595 322002016 /nfs/dbraw/zinc/00/20/16/322002016.db2.gz GNAAGMVSFNGQSF-LLVKDONJSA-N 2 1 284.856 3.149 20 0 CGADMP Fc1ccc(C[C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000563678651 322006373 /nfs/dbraw/zinc/00/63/73/322006373.db2.gz OVLLPULQVHSEML-GOSISDBHSA-N 2 1 290.426 3.222 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000564252115 322024485 /nfs/dbraw/zinc/02/44/85/322024485.db2.gz NSXJKSHDWVPMGW-WFASDCNBSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000564252115 322024479 /nfs/dbraw/zinc/02/44/79/322024479.db2.gz NSXJKSHDWVPMGW-WFASDCNBSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000564252115 322024482 /nfs/dbraw/zinc/02/44/82/322024482.db2.gz NSXJKSHDWVPMGW-WFASDCNBSA-N 2 1 266.454 3.083 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCCOc1ccccc1 ZINC000564324033 322027089 /nfs/dbraw/zinc/02/70/89/322027089.db2.gz CLKNRMSFIMMZDK-AEFFLSMTSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCCOc1ccccc1 ZINC000564324033 322027091 /nfs/dbraw/zinc/02/70/91/322027091.db2.gz CLKNRMSFIMMZDK-AEFFLSMTSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCCOc1ccccc1 ZINC000564324033 322027093 /nfs/dbraw/zinc/02/70/93/322027093.db2.gz CLKNRMSFIMMZDK-AEFFLSMTSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCCOc1ccccc1 ZINC000564324033 322027094 /nfs/dbraw/zinc/02/70/94/322027094.db2.gz CLKNRMSFIMMZDK-AEFFLSMTSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCCOc1ccccc1 ZINC000564324036 322027161 /nfs/dbraw/zinc/02/71/61/322027161.db2.gz CLKNRMSFIMMZDK-WMZOPIPTSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCCOc1ccccc1 ZINC000564324036 322027163 /nfs/dbraw/zinc/02/71/63/322027163.db2.gz CLKNRMSFIMMZDK-WMZOPIPTSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCCOc1ccccc1 ZINC000564324036 322027165 /nfs/dbraw/zinc/02/71/65/322027165.db2.gz CLKNRMSFIMMZDK-WMZOPIPTSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCCOc1ccccc1 ZINC000564324036 322027168 /nfs/dbraw/zinc/02/71/68/322027168.db2.gz CLKNRMSFIMMZDK-WMZOPIPTSA-N 2 1 290.451 3.118 20 0 CGADMP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000564570594 322034984 /nfs/dbraw/zinc/03/49/84/322034984.db2.gz IQRLBJGKSUNRCE-YYIAUSFCSA-N 2 1 276.399 3.350 20 0 CGADMP Cc1cc(C)cc([C@@H]2CC[N@H+](CCCc3cncn3C)C2)c1 ZINC000565167294 322064296 /nfs/dbraw/zinc/06/42/96/322064296.db2.gz VGGSGDJNWWHTGN-QGZVFWFLSA-N 2 1 297.446 3.459 20 0 CGADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000565167294 322064299 /nfs/dbraw/zinc/06/42/99/322064299.db2.gz VGGSGDJNWWHTGN-QGZVFWFLSA-N 2 1 297.446 3.459 20 0 CGADMP Cc1cc(C)cc([C@@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000565167294 322064301 /nfs/dbraw/zinc/06/43/01/322064301.db2.gz VGGSGDJNWWHTGN-QGZVFWFLSA-N 2 1 297.446 3.459 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccccc1Cl ZINC000565357379 322074574 /nfs/dbraw/zinc/07/45/74/322074574.db2.gz NTEXKGJMQUXCIV-GFCCVEGCSA-N 2 1 254.805 3.379 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccc(F)c(F)c2)CCN1C ZINC000565391519 322075783 /nfs/dbraw/zinc/07/57/83/322075783.db2.gz YAYYDZYPIYUSQM-DTJRNEMCSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@@H](N(C)C/C=C\c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000565391519 322075785 /nfs/dbraw/zinc/07/57/85/322075785.db2.gz YAYYDZYPIYUSQM-DTJRNEMCSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@@H](N(C)C/C=C\c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000565391519 322075788 /nfs/dbraw/zinc/07/57/88/322075788.db2.gz YAYYDZYPIYUSQM-DTJRNEMCSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000565592707 322083235 /nfs/dbraw/zinc/08/32/35/322083235.db2.gz NCFHJDMVAMQSFQ-CJNGLKHVSA-N 2 1 264.413 3.098 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[NH2+]1 ZINC000565821617 322092826 /nfs/dbraw/zinc/09/28/26/322092826.db2.gz PROUAQMILRHGDD-OCCSQVGLSA-N 2 1 293.480 3.421 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000567624583 322170623 /nfs/dbraw/zinc/17/06/23/322170623.db2.gz STTZCYCMXIQDEX-ZDUSSCGKSA-N 2 1 289.448 3.425 20 0 CGADMP C[C@]1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCC[NH2+]C1 ZINC000567654829 322171959 /nfs/dbraw/zinc/17/19/59/322171959.db2.gz MINNJAZDPLDVSG-RDJZCZTQSA-N 2 1 290.455 3.010 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)co2)cc1 ZINC000568486832 322211164 /nfs/dbraw/zinc/21/11/64/322211164.db2.gz FFCVWZZBSSVQAZ-GJZGRUSLSA-N 2 1 285.391 3.010 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000569468655 322247979 /nfs/dbraw/zinc/24/79/79/322247979.db2.gz HNEHLLGGFDKJAV-GDBMZVCRSA-N 2 1 276.424 3.033 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000569635862 322253028 /nfs/dbraw/zinc/25/30/28/322253028.db2.gz JREZMDAONUQVKE-PMPSAXMXSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000569635862 322253029 /nfs/dbraw/zinc/25/30/29/322253029.db2.gz JREZMDAONUQVKE-PMPSAXMXSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C(C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000569752683 322256273 /nfs/dbraw/zinc/25/62/73/322256273.db2.gz BYMWDNIJPIYGOM-LSDHHAIUSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000569752683 322256275 /nfs/dbraw/zinc/25/62/75/322256275.db2.gz BYMWDNIJPIYGOM-LSDHHAIUSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000569752683 322256277 /nfs/dbraw/zinc/25/62/77/322256277.db2.gz BYMWDNIJPIYGOM-LSDHHAIUSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000569752683 322256278 /nfs/dbraw/zinc/25/62/78/322256278.db2.gz BYMWDNIJPIYGOM-LSDHHAIUSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000569752680 322256441 /nfs/dbraw/zinc/25/64/41/322256441.db2.gz BYMWDNIJPIYGOM-CABCVRRESA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000569752680 322256443 /nfs/dbraw/zinc/25/64/43/322256443.db2.gz BYMWDNIJPIYGOM-CABCVRRESA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000569752680 322256445 /nfs/dbraw/zinc/25/64/45/322256445.db2.gz BYMWDNIJPIYGOM-CABCVRRESA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000569752680 322256446 /nfs/dbraw/zinc/25/64/46/322256446.db2.gz BYMWDNIJPIYGOM-CABCVRRESA-N 2 1 254.462 3.329 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000570094009 322264555 /nfs/dbraw/zinc/26/45/55/322264555.db2.gz WXMFJQUJKIGVED-RKDXNWHRSA-N 2 1 261.196 3.209 20 0 CGADMP CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000570760683 322281752 /nfs/dbraw/zinc/28/17/52/322281752.db2.gz NJNROOMMPHJMCU-JCURWCKSSA-N 2 1 285.391 3.009 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1cccc(F)c1 ZINC000572613602 322346578 /nfs/dbraw/zinc/34/65/78/322346578.db2.gz HSKAVZBLIKSGCT-UHFFFAOYSA-N 2 1 275.371 3.014 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1cccc(F)c1 ZINC000572613602 322346581 /nfs/dbraw/zinc/34/65/81/322346581.db2.gz HSKAVZBLIKSGCT-UHFFFAOYSA-N 2 1 275.371 3.014 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572644185 322347898 /nfs/dbraw/zinc/34/78/98/322347898.db2.gz WWNXWHCYWGBHAZ-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572644185 322347900 /nfs/dbraw/zinc/34/79/00/322347900.db2.gz WWNXWHCYWGBHAZ-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP CC[NH+]1CCC(CNc2cc[nH+]c3ccsc32)CC1 ZINC000574019824 322419140 /nfs/dbraw/zinc/41/91/40/322419140.db2.gz JGXXUXXOGGKZIS-UHFFFAOYSA-N 2 1 275.421 3.440 20 0 CGADMP CCC[C@H](C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000582573843 329109777 /nfs/dbraw/zinc/10/97/77/329109777.db2.gz VNHSHFCTQMORJI-QGZVFWFLSA-N 2 1 262.441 3.454 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000394589885 329128018 /nfs/dbraw/zinc/12/80/18/329128018.db2.gz ZDUICGOEWHGJNH-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336863059 335121938 /nfs/dbraw/zinc/12/19/38/335121938.db2.gz HQWOEPXXIWADBN-HOTGVXAUSA-N 2 1 297.446 3.203 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)s1 ZINC000576129768 335158635 /nfs/dbraw/zinc/15/86/35/335158635.db2.gz MILZSZCDHMYUSA-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)s1 ZINC000576129768 335158636 /nfs/dbraw/zinc/15/86/36/335158636.db2.gz MILZSZCDHMYUSA-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000576129768 335158637 /nfs/dbraw/zinc/15/86/37/335158637.db2.gz MILZSZCDHMYUSA-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1F ZINC000577236769 335328506 /nfs/dbraw/zinc/32/85/06/335328506.db2.gz NYKFKCUCXJHOCR-ZBFHGGJFSA-N 2 1 278.415 3.221 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1F ZINC000577236769 335328508 /nfs/dbraw/zinc/32/85/08/335328508.db2.gz NYKFKCUCXJHOCR-ZBFHGGJFSA-N 2 1 278.415 3.221 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)C1CCCC1 ZINC000577739570 335394962 /nfs/dbraw/zinc/39/49/62/335394962.db2.gz UIRLMGSJCCZUCN-IBGZPJMESA-N 2 1 295.430 3.356 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000581364308 336061639 /nfs/dbraw/zinc/06/16/39/336061639.db2.gz XWGUBLWFZLYRDY-MAUKXSAKSA-N 2 1 290.451 3.137 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC000383598887 336115009 /nfs/dbraw/zinc/11/50/09/336115009.db2.gz UNFXJXBYRFWEJS-GDBMZVCRSA-N 2 1 258.409 3.039 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000385438163 336146420 /nfs/dbraw/zinc/14/64/20/336146420.db2.gz RDIDKGXJLZQDCA-BMFZPTHFSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000385438163 336146422 /nfs/dbraw/zinc/14/64/22/336146422.db2.gz RDIDKGXJLZQDCA-BMFZPTHFSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000087472113 521993910 /nfs/dbraw/zinc/99/39/10/521993910.db2.gz ZHDQSUDMMFKRAX-UHFFFAOYSA-N 2 1 261.196 3.035 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414191425 533774873 /nfs/dbraw/zinc/77/48/73/533774873.db2.gz SLXRYOKBBCMMDY-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000086670207 533791723 /nfs/dbraw/zinc/79/17/23/533791723.db2.gz XXCPQKQKZVNNPV-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP Cc1ccc(CC[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420369252 533807047 /nfs/dbraw/zinc/80/70/47/533807047.db2.gz OGGCNMWQQMEHMQ-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP C[C@@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424372839 533808799 /nfs/dbraw/zinc/80/87/99/533808799.db2.gz FYHCSWNWLNSOGI-JKSUJKDBSA-N 2 1 272.436 3.254 20 0 CGADMP COc1cccc2c(C[N@H+]3CC[C@H](C[NH+](C)C)C3)cccc12 ZINC000449037585 533834920 /nfs/dbraw/zinc/83/49/20/533834920.db2.gz ZXCALVJUBUMMAG-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1OC(F)F ZINC000423525214 533852786 /nfs/dbraw/zinc/85/27/86/533852786.db2.gz KFNZYJOCSVZTLD-NSHDSACASA-N 2 1 284.350 3.081 20 0 CGADMP C[C@H](CF)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449332118 534006175 /nfs/dbraw/zinc/00/61/75/534006175.db2.gz QDQZRFXZQKMBBS-HUUCEWRRSA-N 2 1 278.415 3.030 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc2ccccc2o1 ZINC000423366351 534006683 /nfs/dbraw/zinc/00/66/83/534006683.db2.gz CMEQHIYTDLGMGS-DYEKYZERSA-N 2 1 258.365 3.224 20 0 CGADMP COc1ccccc1C[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359228748 534062860 /nfs/dbraw/zinc/06/28/60/534062860.db2.gz XQAVSIUUROPFMK-UHFFFAOYSA-N 2 1 288.435 3.049 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000356135456 534206101 /nfs/dbraw/zinc/20/61/01/534206101.db2.gz ZZUHIIUVTJOREL-JSGCOSHPSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000356135456 534206105 /nfs/dbraw/zinc/20/61/05/534206105.db2.gz ZZUHIIUVTJOREL-JSGCOSHPSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000356135456 534206110 /nfs/dbraw/zinc/20/61/10/534206110.db2.gz ZZUHIIUVTJOREL-JSGCOSHPSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000356135456 534206116 /nfs/dbraw/zinc/20/61/16/534206116.db2.gz ZZUHIIUVTJOREL-JSGCOSHPSA-N 2 1 296.505 3.386 20 0 CGADMP Cc1ccncc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000366339656 534416273 /nfs/dbraw/zinc/41/62/73/534416273.db2.gz OJRDDXXCZMGPSP-UHFFFAOYSA-N 2 1 287.451 3.277 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359217354 534496309 /nfs/dbraw/zinc/49/63/09/534496309.db2.gz KNJGMZILSDIYCN-QGZVFWFLSA-N 2 1 276.399 3.352 20 0 CGADMP Fc1cccc(Cl)c1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501359 534522259 /nfs/dbraw/zinc/52/22/59/534522259.db2.gz SMIXUGVHDHTLFT-UHFFFAOYSA-N 2 1 296.817 3.097 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000087472113 521993899 /nfs/dbraw/zinc/99/38/99/521993899.db2.gz ZHDQSUDMMFKRAX-UHFFFAOYSA-N 2 1 261.196 3.035 20 0 CGADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000086583969 524069061 /nfs/dbraw/zinc/06/90/61/524069061.db2.gz TUOZJHUNVCHFKH-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290622253 524099327 /nfs/dbraw/zinc/09/93/27/524099327.db2.gz XIKUAJZYJOVYHJ-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290622253 524099336 /nfs/dbraw/zinc/09/93/36/524099336.db2.gz XIKUAJZYJOVYHJ-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290622253 524099341 /nfs/dbraw/zinc/09/93/41/524099341.db2.gz XIKUAJZYJOVYHJ-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290622253 524099348 /nfs/dbraw/zinc/09/93/48/524099348.db2.gz XIKUAJZYJOVYHJ-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000088163911 524103093 /nfs/dbraw/zinc/10/30/93/524103093.db2.gz MOOZXVRJIFUIFW-AYHJJNSGSA-N 2 1 272.436 3.408 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000049553464 524168169 /nfs/dbraw/zinc/16/81/69/524168169.db2.gz LORALXNFWPYGIS-OLZOCXBDSA-N 2 1 260.381 3.424 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093978085 524537150 /nfs/dbraw/zinc/53/71/50/524537150.db2.gz UAYNGKXGNXWITN-YQQAZPJKSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093978085 524537154 /nfs/dbraw/zinc/53/71/54/524537154.db2.gz UAYNGKXGNXWITN-YQQAZPJKSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000157769944 524922833 /nfs/dbraw/zinc/92/28/33/524922833.db2.gz FPMVUUBPVDWNSQ-SUMWQHHRSA-N 2 1 258.409 3.136 20 0 CGADMP CC(C)(C)[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2ccccc2o1 ZINC000423445420 526640373 /nfs/dbraw/zinc/64/03/73/526640373.db2.gz XUBUNERVRJHSPJ-IXKJSCDLSA-N 2 1 284.403 3.327 20 0 CGADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCC1 ZINC000173874262 527483217 /nfs/dbraw/zinc/48/32/17/527483217.db2.gz TZIOYQAJFGEQHO-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@H]1CCC12CCC2 ZINC000423264628 527484543 /nfs/dbraw/zinc/48/45/43/527484543.db2.gz AKDMNQPTKZOZDQ-HNNXBMFYSA-N 2 1 250.430 3.221 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026004 527753287 /nfs/dbraw/zinc/75/32/87/527753287.db2.gz DGBJNVMJKFVQHT-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026004 527753292 /nfs/dbraw/zinc/75/32/92/527753292.db2.gz DGBJNVMJKFVQHT-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026004 527753294 /nfs/dbraw/zinc/75/32/94/527753294.db2.gz DGBJNVMJKFVQHT-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(C)cc2)[C@H](C)C1 ZINC000175722823 527832048 /nfs/dbraw/zinc/83/20/48/527832048.db2.gz RFSWDTGQXOZOFC-AEFFLSMTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(C)cc2)[C@H](C)C1 ZINC000175722823 527832052 /nfs/dbraw/zinc/83/20/52/527832052.db2.gz RFSWDTGQXOZOFC-AEFFLSMTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(C)cc2)[C@H](C)C1 ZINC000175722823 527832055 /nfs/dbraw/zinc/83/20/55/527832055.db2.gz RFSWDTGQXOZOFC-AEFFLSMTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccoc2)c1 ZINC000449133140 527847262 /nfs/dbraw/zinc/84/72/62/527847262.db2.gz XFTURXAJJVEVIP-HNNXBMFYSA-N 2 1 286.419 3.452 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc32)[C@@H](C)C1 ZINC000449361224 527883286 /nfs/dbraw/zinc/88/32/86/527883286.db2.gz IVNKHKBXNQAEIG-DZKIICNBSA-N 2 1 290.476 3.196 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423341968 528203110 /nfs/dbraw/zinc/20/31/10/528203110.db2.gz YOXWUQANPZQNGH-CYBMUJFWSA-N 2 1 262.397 3.006 20 0 CGADMP CCCCCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423339344 528237807 /nfs/dbraw/zinc/23/78/07/528237807.db2.gz WKWLSGPGLOQEOJ-KGLIPLIRSA-N 2 1 264.413 3.253 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000414712542 528346744 /nfs/dbraw/zinc/34/67/44/528346744.db2.gz UOCDRKABOYMZLQ-MRXNPFEDSA-N 2 1 282.472 3.031 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)C[NH2+]C ZINC000423276113 528475113 /nfs/dbraw/zinc/47/51/13/528475113.db2.gz OAIJGENCGPPPPN-NEPJUHHUSA-N 2 1 284.831 3.245 20 0 CGADMP CCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359134699 528693884 /nfs/dbraw/zinc/69/38/84/528693884.db2.gz JGZSZTUNWXSZJK-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359134699 528693889 /nfs/dbraw/zinc/69/38/89/528693889.db2.gz JGZSZTUNWXSZJK-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)c2ccccc21 ZINC000423275323 528767343 /nfs/dbraw/zinc/76/73/43/528767343.db2.gz LQJFRGSZZSUJEM-GVDBMIGSSA-N 2 1 258.409 3.198 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423301673 528820216 /nfs/dbraw/zinc/82/02/16/528820216.db2.gz UKZJHVNNSXPWBF-AAEUAGOBSA-N 2 1 286.366 3.456 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000423298905 528821971 /nfs/dbraw/zinc/82/19/71/528821971.db2.gz PEXRKJNXBMKWOD-GJZGRUSLSA-N 2 1 252.377 3.384 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000423294480 528823196 /nfs/dbraw/zinc/82/31/96/528823196.db2.gz CDDUKUVOVRLWFK-ZBFHGGJFSA-N 2 1 286.423 3.040 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1cccc(F)c1 ZINC000423298907 528823221 /nfs/dbraw/zinc/82/32/21/528823221.db2.gz PEXRKJNXBMKWOD-LSDHHAIUSA-N 2 1 252.377 3.384 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000423304016 528957287 /nfs/dbraw/zinc/95/72/87/528957287.db2.gz XZOPIJSBNRAEEQ-ZIAGYGMSSA-N 2 1 294.439 3.180 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423268988 529070823 /nfs/dbraw/zinc/07/08/23/529070823.db2.gz GSSCRCZCPDNLCE-RDTXWAMCSA-N 2 1 283.419 3.383 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000423269420 529071806 /nfs/dbraw/zinc/07/18/06/529071806.db2.gz HDCCCOHVFPLVSH-CABCVRRESA-N 2 1 270.367 3.235 20 0 CGADMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccc2c(c1)OCCO2 ZINC000423289021 529156141 /nfs/dbraw/zinc/15/61/41/529156141.db2.gz VSEGQOKNRBNLSS-CQSZACIVSA-N 2 1 292.423 3.016 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(OC)c(OC)c1 ZINC000423271237 529206188 /nfs/dbraw/zinc/20/61/88/529206188.db2.gz XQFYLNMZZMNVSW-LSDHHAIUSA-N 2 1 294.439 3.118 20 0 CGADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698355 535702554 /nfs/dbraw/zinc/70/25/54/535702554.db2.gz CZGVVMMRXUTCLT-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422904562 535820085 /nfs/dbraw/zinc/82/00/85/535820085.db2.gz GYIAKBVZBJMRQN-IKGGRYGDSA-N 2 1 295.515 3.137 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649243 535912442 /nfs/dbraw/zinc/91/24/42/535912442.db2.gz JWTTZLZLOIUCMP-KDOFPFPSSA-N 2 1 288.435 3.220 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000130224846 535947476 /nfs/dbraw/zinc/94/74/76/535947476.db2.gz RHPNUFKTWOKEPR-BBWFWOEESA-N 2 1 276.399 3.493 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000459790096 536383916 /nfs/dbraw/zinc/38/39/16/536383916.db2.gz QTQJAQCUJFETIT-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccoc3)C2)c1 ZINC000727469769 571750154 /nfs/dbraw/zinc/75/01/54/571750154.db2.gz GGBYWUVXTQITCC-CQSZACIVSA-N 2 1 290.432 3.343 20 0 CGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccoc3)C2)c1 ZINC000727469769 571750159 /nfs/dbraw/zinc/75/01/59/571750159.db2.gz GGBYWUVXTQITCC-CQSZACIVSA-N 2 1 290.432 3.343 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2cccs2)CC1 ZINC000728572032 571811159 /nfs/dbraw/zinc/81/11/59/571811159.db2.gz PEBBKQSLPMLCOA-UHFFFAOYSA-N 2 1 280.481 3.343 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000728686052 571815201 /nfs/dbraw/zinc/81/52/01/571815201.db2.gz LHGYUMLPJSJEEB-CYBMUJFWSA-N 2 1 293.282 3.232 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C)cc2)C[C@H]1C ZINC000740882111 571891155 /nfs/dbraw/zinc/89/11/55/571891155.db2.gz GPOSIAUJKRWGKM-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C)cc2)C[C@H]1C ZINC000740882111 571891156 /nfs/dbraw/zinc/89/11/56/571891156.db2.gz GPOSIAUJKRWGKM-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C)cc2)C[C@H]1C ZINC000740882111 571891157 /nfs/dbraw/zinc/89/11/57/571891157.db2.gz GPOSIAUJKRWGKM-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000311874191 572349939 /nfs/dbraw/zinc/34/99/39/572349939.db2.gz ZQVDXUKFUCBTKA-YVECIDJPSA-N 2 1 278.362 3.024 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000394590795 572469125 /nfs/dbraw/zinc/46/91/25/572469125.db2.gz WURMGSLLZOWRFH-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CCC(CC)(CC)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000395173578 572475611 /nfs/dbraw/zinc/47/56/11/572475611.db2.gz FCMJTZCCLLDWRX-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCC1 ZINC000398186826 572498514 /nfs/dbraw/zinc/49/85/14/572498514.db2.gz LPPUQIBXUJLWCI-MAUKXSAKSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCC1 ZINC000398186826 572498518 /nfs/dbraw/zinc/49/85/18/572498518.db2.gz LPPUQIBXUJLWCI-MAUKXSAKSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[Si](C)(C)C)C1 ZINC000733794437 572603086 /nfs/dbraw/zinc/60/30/86/572603086.db2.gz DFSPFBPIDLAWTP-HZPDHXFCSA-N 2 1 282.548 3.450 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000733794437 572603090 /nfs/dbraw/zinc/60/30/90/572603090.db2.gz DFSPFBPIDLAWTP-HZPDHXFCSA-N 2 1 282.548 3.450 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000733794437 572603095 /nfs/dbraw/zinc/60/30/95/572603095.db2.gz DFSPFBPIDLAWTP-HZPDHXFCSA-N 2 1 282.548 3.450 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000891440110 618208215 /nfs/dbraw/zinc/20/82/15/618208215.db2.gz IBWKDTGKNQPXFJ-GOSISDBHSA-N 2 1 287.451 3.341 20 0 CGADMP CSCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000892105754 618533932 /nfs/dbraw/zinc/53/39/32/618533932.db2.gz QHNSSPDSFUPQFK-WMLDXEAASA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000892105754 618533939 /nfs/dbraw/zinc/53/39/39/618533939.db2.gz QHNSSPDSFUPQFK-WMLDXEAASA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000892105754 618533942 /nfs/dbraw/zinc/53/39/42/618533942.db2.gz QHNSSPDSFUPQFK-WMLDXEAASA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000892105754 618533944 /nfs/dbraw/zinc/53/39/44/618533944.db2.gz QHNSSPDSFUPQFK-WMLDXEAASA-N 2 1 292.492 3.464 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CCCOC)CCC2)[C@@H](C)C1 ZINC000892106391 618534572 /nfs/dbraw/zinc/53/45/72/618534572.db2.gz UVQFRLDXXIPHNE-DLBZAZTESA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CCCOC)CCC2)[C@@H](C)C1 ZINC000892106391 618534576 /nfs/dbraw/zinc/53/45/76/618534576.db2.gz UVQFRLDXXIPHNE-DLBZAZTESA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CCCOC)CCC2)[C@@H](C)C1 ZINC000892106391 618534580 /nfs/dbraw/zinc/53/45/80/618534580.db2.gz UVQFRLDXXIPHNE-DLBZAZTESA-N 2 1 296.499 3.245 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262039736 618540051 /nfs/dbraw/zinc/54/00/51/618540051.db2.gz PAMVOLJEHTXUCF-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C[NH+](C)C)c1 ZINC000892375314 618739377 /nfs/dbraw/zinc/73/93/77/618739377.db2.gz MTYXHXLOHTYIBT-ALOPSCKCSA-N 2 1 287.451 3.094 20 0 CGADMP COCCCC1(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000892510759 618825108 /nfs/dbraw/zinc/82/51/08/618825108.db2.gz UCWKENGAONLINX-HNNXBMFYSA-N 2 1 293.455 3.014 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000892583226 618867754 /nfs/dbraw/zinc/86/77/54/618867754.db2.gz AQGKUBTYBBXPTP-CQSZACIVSA-N 2 1 294.414 3.133 20 0 CGADMP Cc1cc(CNCCC[N@@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000163270064 618886780 /nfs/dbraw/zinc/88/67/80/618886780.db2.gz KWSQSMOUCOPMEW-ZDUSSCGKSA-N 2 1 264.413 3.251 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000163270064 618886781 /nfs/dbraw/zinc/88/67/81/618886781.db2.gz KWSQSMOUCOPMEW-ZDUSSCGKSA-N 2 1 264.413 3.251 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000163270064 618886784 /nfs/dbraw/zinc/88/67/84/618886784.db2.gz KWSQSMOUCOPMEW-ZDUSSCGKSA-N 2 1 264.413 3.251 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(CC(C)C)nc2)C1 ZINC000892668007 618893991 /nfs/dbraw/zinc/89/39/91/618893991.db2.gz GPOOKYCRKSOCFJ-QGZVFWFLSA-N 2 1 289.467 3.102 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CC(C)C)nc2)C1 ZINC000892668007 618893992 /nfs/dbraw/zinc/89/39/92/618893992.db2.gz GPOOKYCRKSOCFJ-QGZVFWFLSA-N 2 1 289.467 3.102 20 0 CGADMP CC(C)N(CC[NH2+][C@@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925507423 618998599 /nfs/dbraw/zinc/99/85/99/618998599.db2.gz AJUYZYASDSBVGY-SFHVURJKSA-N 2 1 291.483 3.175 20 0 CGADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC000925657246 619112055 /nfs/dbraw/zinc/11/20/55/619112055.db2.gz ROVOSESUEXMMFP-XIRDDKMYSA-N 2 1 288.410 3.336 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000925678697 619127925 /nfs/dbraw/zinc/12/79/25/619127925.db2.gz WKBBEKCNKQRPHA-UDTPNQRGSA-N 2 1 280.415 3.468 20 0 CGADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000925682865 619131289 /nfs/dbraw/zinc/13/12/89/619131289.db2.gz GXJZEQXQOPONRF-CIRFHOKZSA-N 2 1 290.451 3.116 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccccc1 ZINC000925698286 619150295 /nfs/dbraw/zinc/15/02/95/619150295.db2.gz RCBDLWCQSJOHRY-GMXVVIOVSA-N 2 1 274.330 3.253 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000257765942 619179444 /nfs/dbraw/zinc/17/94/44/619179444.db2.gz ZQWJEWLRBYTTQY-NEPJUHHUSA-N 2 1 252.789 3.072 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c(Cl)n1 ZINC000925765568 619226781 /nfs/dbraw/zinc/22/67/81/619226781.db2.gz KXBOEIUXKCJDBS-STQMWFEESA-N 2 1 281.831 3.039 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(C)s1 ZINC000925779698 619242032 /nfs/dbraw/zinc/24/20/32/619242032.db2.gz OQKXZAHTMZFKLU-PWSUYJOCSA-N 2 1 288.407 3.260 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1F ZINC000925783825 619246583 /nfs/dbraw/zinc/24/65/83/619246583.db2.gz HFVMHOWHOXFBHM-SUNKGSAMSA-N 2 1 284.806 3.375 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccn1 ZINC000925786612 619247522 /nfs/dbraw/zinc/24/75/22/619247522.db2.gz XDOUOFSDDRPHAF-HIFRSBDPSA-N 2 1 297.393 3.003 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000893979328 619343733 /nfs/dbraw/zinc/34/37/33/619343733.db2.gz BDUQDDMJIGJWOZ-UHFFFAOYSA-N 2 1 278.827 3.040 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2cccc(F)c2)C1 ZINC000894086939 619364364 /nfs/dbraw/zinc/36/43/64/619364364.db2.gz OFQYLXRKWQKRDR-YERXGYGTSA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2cccc(F)c2)C1 ZINC000894086939 619364367 /nfs/dbraw/zinc/36/43/67/619364367.db2.gz OFQYLXRKWQKRDR-YERXGYGTSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2cccc(F)c2)C1 ZINC000894086939 619364370 /nfs/dbraw/zinc/36/43/70/619364370.db2.gz OFQYLXRKWQKRDR-YERXGYGTSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC000894086939 619364373 /nfs/dbraw/zinc/36/43/73/619364373.db2.gz OFQYLXRKWQKRDR-YERXGYGTSA-N 2 1 276.399 3.113 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2nccc3ccccc32)CC1 ZINC000894153189 619394612 /nfs/dbraw/zinc/39/46/12/619394612.db2.gz WERLGVRYQUMJEP-UHFFFAOYSA-N 2 1 297.446 3.446 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000262045411 619574971 /nfs/dbraw/zinc/57/49/71/619574971.db2.gz YXKBEWFDENQAIH-GFCCVEGCSA-N 2 1 286.341 3.055 20 0 CGADMP CCCC1CCC([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262134565 619739197 /nfs/dbraw/zinc/73/91/97/619739197.db2.gz YNAMTXODGQTJAB-GPANFISMSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000895377699 619816394 /nfs/dbraw/zinc/81/63/94/619816394.db2.gz GJJVEWNOLOBNBO-UPJWGTAASA-N 2 1 293.282 3.232 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895669777 619868677 /nfs/dbraw/zinc/86/86/77/619868677.db2.gz BYOPZDGVGKSICB-AWEZNQCLSA-N 2 1 278.465 3.239 20 0 CGADMP CC(C)c1c[nH]c(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000895683871 619872662 /nfs/dbraw/zinc/87/26/62/619872662.db2.gz WGSHKDCMHSNUMA-UHFFFAOYSA-N 2 1 292.471 3.231 20 0 CGADMP CC(C)c1c[nH]c(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000895683871 619872663 /nfs/dbraw/zinc/87/26/63/619872663.db2.gz WGSHKDCMHSNUMA-UHFFFAOYSA-N 2 1 292.471 3.231 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000896028667 619934566 /nfs/dbraw/zinc/93/45/66/619934566.db2.gz VDYOBOPRESKNMZ-UHFFFAOYSA-N 2 1 294.439 3.376 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000897414480 620295609 /nfs/dbraw/zinc/29/56/09/620295609.db2.gz CYAQHXXCEKLBDE-LZWOXQAQSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000897414480 620295612 /nfs/dbraw/zinc/29/56/12/620295612.db2.gz CYAQHXXCEKLBDE-LZWOXQAQSA-N 2 1 276.424 3.137 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000898308093 620509695 /nfs/dbraw/zinc/50/96/95/620509695.db2.gz NSGIBXRCMWWXAS-UHFFFAOYSA-N 2 1 273.424 3.188 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000898308093 620509696 /nfs/dbraw/zinc/50/96/96/620509696.db2.gz NSGIBXRCMWWXAS-UHFFFAOYSA-N 2 1 273.424 3.188 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCSC3(CCC3)C2)CC1 ZINC000927041033 620567547 /nfs/dbraw/zinc/56/75/47/620567547.db2.gz XHZITSVAGMHGAA-AWEZNQCLSA-N 2 1 280.481 3.021 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC3(C2)CCCC3)cn1 ZINC000924725182 620578937 /nfs/dbraw/zinc/57/89/37/620578937.db2.gz SUWGJRJUUSAEOI-UHFFFAOYSA-N 2 1 296.418 3.388 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902359842 621289182 /nfs/dbraw/zinc/28/91/82/621289182.db2.gz HHLWASADMLVCHX-NFAWXSAZSA-N 2 1 276.424 3.271 20 0 CGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902418033 621310846 /nfs/dbraw/zinc/31/08/46/621310846.db2.gz ULXFDPOJBVOOIV-GFCCVEGCSA-N 2 1 264.438 3.329 20 0 CGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)c1 ZINC000902462359 621336740 /nfs/dbraw/zinc/33/67/40/621336740.db2.gz VEWBLJQSFZCXJP-UVLCOCDESA-N 2 1 290.838 3.459 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC[N@@H+]1C ZINC000902818437 621454465 /nfs/dbraw/zinc/45/44/65/621454465.db2.gz NTTITBPHLCJTCW-NRSFXHEJSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC[N@H+]1C ZINC000902818437 621454469 /nfs/dbraw/zinc/45/44/69/621454469.db2.gz NTTITBPHLCJTCW-NRSFXHEJSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902895820 621489692 /nfs/dbraw/zinc/48/96/92/621489692.db2.gz CVGKRUOGQDSBHR-LLVKDONJSA-N 2 1 299.340 3.013 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903068017 621554010 /nfs/dbraw/zinc/55/40/10/621554010.db2.gz WLAWWDCGTULBNR-HNNXBMFYSA-N 2 1 292.471 3.064 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903068017 621554017 /nfs/dbraw/zinc/55/40/17/621554017.db2.gz WLAWWDCGTULBNR-HNNXBMFYSA-N 2 1 292.471 3.064 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903068017 621554021 /nfs/dbraw/zinc/55/40/21/621554021.db2.gz WLAWWDCGTULBNR-HNNXBMFYSA-N 2 1 292.471 3.064 20 0 CGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1F ZINC000903081526 621561723 /nfs/dbraw/zinc/56/17/23/621561723.db2.gz UZAIQXFQMLWKAM-LQDVMPOASA-N 2 1 292.373 3.212 20 0 CGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1F ZINC000903081526 621561732 /nfs/dbraw/zinc/56/17/32/621561732.db2.gz UZAIQXFQMLWKAM-LQDVMPOASA-N 2 1 292.373 3.212 20 0 CGADMP CS[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903103339 621576055 /nfs/dbraw/zinc/57/60/55/621576055.db2.gz HBMBLOXAYGGRSQ-SITCHJJWSA-N 2 1 280.481 3.018 20 0 CGADMP CN(C)c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903117406 621588284 /nfs/dbraw/zinc/58/82/84/621588284.db2.gz AIRMBPSTUSZRHN-ZNXRZULTSA-N 2 1 299.462 3.000 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(SC)CC2)[C@H](C)C1 ZINC000903156223 621599846 /nfs/dbraw/zinc/59/98/46/621599846.db2.gz QHYXOPSPJQQERQ-LMPOIIKSSA-N 2 1 284.513 3.228 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3ncccc3c2)[C@H](C)C1 ZINC000903195686 621622124 /nfs/dbraw/zinc/62/21/24/621622124.db2.gz YMLZYSMQVJPECR-QAPCUYQASA-N 2 1 297.446 3.097 20 0 CGADMP CC(F)(F)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903214767 621632032 /nfs/dbraw/zinc/63/20/32/621632032.db2.gz XKMHMOYCOCJKLF-QXMXGUDHSA-N 2 1 286.410 3.415 20 0 CGADMP CC(C)OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903217124 621632115 /nfs/dbraw/zinc/63/21/15/621632115.db2.gz PRUFCUNJWMBUDS-ZXFUBFMLSA-N 2 1 292.467 3.082 20 0 CGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903243658 621636617 /nfs/dbraw/zinc/63/66/17/621636617.db2.gz GTERXPDWGRDWAN-VHRNVKJDSA-N 2 1 262.441 3.170 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CC2)[C@@H](C)C1 ZINC000903244596 621637281 /nfs/dbraw/zinc/63/72/81/621637281.db2.gz ZEETVIIXWAOTSF-RDJZCZTQSA-N 2 1 296.499 3.149 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCS1 ZINC000903281965 621662049 /nfs/dbraw/zinc/66/20/49/621662049.db2.gz JILGBOPECRKXHY-WYQXTGKHSA-N 2 1 294.508 3.408 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000903341326 621695413 /nfs/dbraw/zinc/69/54/13/621695413.db2.gz MXVBHRCOLGTSEA-ZQDZILKHSA-N 2 1 286.410 3.274 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000903438277 621747483 /nfs/dbraw/zinc/74/74/83/621747483.db2.gz SXDRYPTUAVBRLR-GHJWDPDVSA-N 2 1 280.362 3.229 20 0 CGADMP CC(C)C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000903722326 621796393 /nfs/dbraw/zinc/79/63/93/621796393.db2.gz KPVRERGAUSXIAO-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@]1(C)CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735210 621800351 /nfs/dbraw/zinc/80/03/51/621800351.db2.gz YMBGUOGQMUIXSW-IAGOWNOFSA-N 2 1 294.483 3.047 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2)CCC1 ZINC000903816492 621809776 /nfs/dbraw/zinc/80/97/76/621809776.db2.gz YVQCEMOUBCEHHJ-INIZCTEOSA-N 2 1 294.389 3.448 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)CCC1 ZINC000903816492 621809778 /nfs/dbraw/zinc/80/97/78/621809778.db2.gz YVQCEMOUBCEHHJ-INIZCTEOSA-N 2 1 294.389 3.448 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cccc3ccccc31)C2 ZINC000903847460 621820513 /nfs/dbraw/zinc/82/05/13/621820513.db2.gz UVCPNOXMDBUFGE-UAGQMJEPSA-N 2 1 296.414 3.030 20 0 CGADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902979 621830731 /nfs/dbraw/zinc/83/07/31/621830731.db2.gz QDTYFMSOGOBGPT-IUKMKKQMSA-N 2 1 290.373 3.180 20 0 CGADMP Oc1ccc([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903903277 621831330 /nfs/dbraw/zinc/83/13/30/621831330.db2.gz HPXNQLIJVDJYJY-NZZOQPFGSA-N 2 1 286.419 3.060 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)CC(F)F ZINC000903935433 621835694 /nfs/dbraw/zinc/83/56/94/621835694.db2.gz PKRIWDYVJVKHBK-DGCLKSJQSA-N 2 1 288.769 3.290 20 0 CGADMP C[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903917275 621836044 /nfs/dbraw/zinc/83/60/44/621836044.db2.gz YEQMMMZSIDBKFJ-GOEBONIOSA-N 2 1 282.378 3.066 20 0 CGADMP C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903917275 621836047 /nfs/dbraw/zinc/83/60/47/621836047.db2.gz YEQMMMZSIDBKFJ-GOEBONIOSA-N 2 1 282.378 3.066 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000903960080 621837879 /nfs/dbraw/zinc/83/78/79/621837879.db2.gz WPLUOSZFPFTFCB-GBESFXJTSA-N 2 1 284.447 3.256 20 0 CGADMP CCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972691 621843591 /nfs/dbraw/zinc/84/35/91/621843591.db2.gz JZTNMKRNUDWXLJ-HZPDHXFCSA-N 2 1 282.472 3.094 20 0 CGADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308564 621902823 /nfs/dbraw/zinc/90/28/23/621902823.db2.gz RWZRTWYUNSZWPM-COPLHBTASA-N 2 1 286.341 3.436 20 0 CGADMP COc1ccccc1C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904307253 621903109 /nfs/dbraw/zinc/90/31/09/621903109.db2.gz MZGNVXYVWHDQRA-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP COc1ccccc1C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904307253 621903112 /nfs/dbraw/zinc/90/31/12/621903112.db2.gz MZGNVXYVWHDQRA-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@]2(C)CCC[NH2+]C2)s1 ZINC000904318824 621904688 /nfs/dbraw/zinc/90/46/88/621904688.db2.gz XDUSHPXEVLZUEW-IUODEOHRSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)s1 ZINC000904318824 621904693 /nfs/dbraw/zinc/90/46/93/621904693.db2.gz XDUSHPXEVLZUEW-IUODEOHRSA-N 2 1 281.469 3.142 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)cc1C ZINC000904389848 621916026 /nfs/dbraw/zinc/91/60/26/621916026.db2.gz WIQIBCJBKDGEAH-ZFWWWQNUSA-N 2 1 264.413 3.028 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc(C)c1OC(F)F ZINC000904411279 621919535 /nfs/dbraw/zinc/91/95/35/621919535.db2.gz TXCMMOSGPNGUHD-CYBMUJFWSA-N 2 1 298.377 3.076 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876933119 622865445 /nfs/dbraw/zinc/86/54/45/622865445.db2.gz FVWUVSDTGBJWQM-QWHCGFSZSA-N 2 1 293.282 3.424 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929748517 623552447 /nfs/dbraw/zinc/55/24/47/623552447.db2.gz JYACFTYLIPLQCJ-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP Cc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)sc1C(C)(C)C ZINC000923490082 626157919 /nfs/dbraw/zinc/15/79/19/626157919.db2.gz AWBKPSYUOLIEJX-WCQYABFASA-N 2 1 295.496 3.166 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1C[NH3+] ZINC000923495918 626158017 /nfs/dbraw/zinc/15/80/17/626158017.db2.gz GDNRSPVILHSDPF-ZBFHGGJFSA-N 2 1 268.404 3.257 20 0 CGADMP C[C@]1(Cc2cccs2)CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923531754 626161343 /nfs/dbraw/zinc/16/13/43/626161343.db2.gz UYNPUXGPVXNIDY-MRXNPFEDSA-N 2 1 278.465 3.287 20 0 CGADMP Cc1cc(C)c(CN2C[C@@H](CC[NH3+])c3ccccc32)c(C)[nH+]1 ZINC000923553229 626163448 /nfs/dbraw/zinc/16/34/48/626163448.db2.gz IRGPALPHDJFHFH-MRXNPFEDSA-N 2 1 295.430 3.459 20 0 CGADMP c1ccc(CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000923555689 626163464 /nfs/dbraw/zinc/16/34/64/626163464.db2.gz UHKOJHVBSHALHF-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806139727 626367630 /nfs/dbraw/zinc/36/76/30/626367630.db2.gz QWFNQRMGBDMSKT-ZACQAIPSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnc(Cl)c1 ZINC000765141523 627241677 /nfs/dbraw/zinc/24/16/77/627241677.db2.gz KYEIHKBPCLCKHW-LBPRGKRZSA-N 2 1 293.842 3.260 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000765401693 627247915 /nfs/dbraw/zinc/24/79/15/627247915.db2.gz BDIGZDLZDUWBFR-UHFFFAOYSA-N 2 1 297.446 3.445 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(C2CCCCC2)CC1 ZINC000766239582 627305885 /nfs/dbraw/zinc/30/58/85/627305885.db2.gz MROFIDCKEQYQJF-UHFFFAOYSA-N 2 1 275.440 3.484 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000766325011 627320606 /nfs/dbraw/zinc/32/06/06/627320606.db2.gz IUBXTOAAIKQLKF-OAHLLOKOSA-N 2 1 298.434 3.007 20 0 CGADMP C[C@@H](C[NH2+]Cc1nccc2ccccc21)C[NH+]1CCCC1 ZINC000776024786 628158919 /nfs/dbraw/zinc/15/89/19/628158919.db2.gz VOZHODHBIUHXNY-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C1(CC)CC ZINC000776158982 628171874 /nfs/dbraw/zinc/17/18/74/628171874.db2.gz GQLZEGPTWBJKPA-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CF)cc2)C[C@H]1C ZINC000777596556 628287463 /nfs/dbraw/zinc/28/74/63/628287463.db2.gz SFXYIKURIAVDFX-PBHICJAKSA-N 2 1 278.415 3.461 20 0 CGADMP C[C@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783225041 628690259 /nfs/dbraw/zinc/69/02/59/628690259.db2.gz UNHZIYIUVCYURT-FZKCQIBNSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000788469626 629056554 /nfs/dbraw/zinc/05/65/54/629056554.db2.gz HNBZFAOSXIOZAH-QGZVFWFLSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H](c2ccco2)C1 ZINC000788481176 629058354 /nfs/dbraw/zinc/05/83/54/629058354.db2.gz FLKLVJYSUQZWJF-GOEBONIOSA-N 2 1 276.424 3.394 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000790047627 629179725 /nfs/dbraw/zinc/17/97/25/629179725.db2.gz AGZLGEHPNANXJI-SOLBZPMBSA-N 2 1 286.463 3.426 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000790047627 629179726 /nfs/dbraw/zinc/17/97/26/629179726.db2.gz AGZLGEHPNANXJI-SOLBZPMBSA-N 2 1 286.463 3.426 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@]1(C)CCCS1 ZINC000862247720 629330230 /nfs/dbraw/zinc/33/02/30/629330230.db2.gz BIOGLSSVQBSMLZ-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@]1(C)CCCS1 ZINC000862247720 629330234 /nfs/dbraw/zinc/33/02/34/629330234.db2.gz BIOGLSSVQBSMLZ-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@]1(C)CCCS1 ZINC000862247720 629330240 /nfs/dbraw/zinc/33/02/40/629330240.db2.gz BIOGLSSVQBSMLZ-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000863543477 629601707 /nfs/dbraw/zinc/60/17/07/629601707.db2.gz ZNFMOAYWKPFZPN-UHFFFAOYSA-N 2 1 275.440 3.215 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)C3CCC([NH3+])CC3)cc2c1 ZINC000863543472 629602485 /nfs/dbraw/zinc/60/24/85/629602485.db2.gz ZLCKYULVXLSCEQ-UHFFFAOYSA-N 2 1 283.419 3.245 20 0 CGADMP CC(C)(C)[NH2+]CC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863651340 629632076 /nfs/dbraw/zinc/63/20/76/629632076.db2.gz JGELZXOUZBDAIE-YESZJQIVSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)(C)[NH2+]CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863651340 629632083 /nfs/dbraw/zinc/63/20/83/629632083.db2.gz JGELZXOUZBDAIE-YESZJQIVSA-N 2 1 272.436 3.110 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)SC ZINC000796784477 629833419 /nfs/dbraw/zinc/83/34/19/629833419.db2.gz VTLUNSGPJLILDJ-ZNMIVQPWSA-N 2 1 284.513 3.371 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000797594187 629966397 /nfs/dbraw/zinc/96/63/97/629966397.db2.gz LPEYZLOKWHIJFF-UHFFFAOYSA-N 2 1 281.831 3.009 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797592041 629966502 /nfs/dbraw/zinc/96/65/02/629966502.db2.gz LHOKPBUONWFCEV-IUODEOHRSA-N 2 1 295.858 3.206 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797592041 629966505 /nfs/dbraw/zinc/96/65/05/629966505.db2.gz LHOKPBUONWFCEV-IUODEOHRSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797592041 629966509 /nfs/dbraw/zinc/96/65/09/629966509.db2.gz LHOKPBUONWFCEV-IUODEOHRSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797592041 629966514 /nfs/dbraw/zinc/96/65/14/629966514.db2.gz LHOKPBUONWFCEV-IUODEOHRSA-N 2 1 295.858 3.206 20 0 CGADMP Fc1cccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000865416507 630110949 /nfs/dbraw/zinc/11/09/49/630110949.db2.gz AQGWBXOQQMWBHF-HOTGVXAUSA-N 2 1 299.393 3.090 20 0 CGADMP Fc1cccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cnc12 ZINC000865416507 630110953 /nfs/dbraw/zinc/11/09/53/630110953.db2.gz AQGWBXOQQMWBHF-HOTGVXAUSA-N 2 1 299.393 3.090 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000798957213 630128035 /nfs/dbraw/zinc/12/80/35/630128035.db2.gz YUPUERROESVZAF-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957052 630128066 /nfs/dbraw/zinc/12/80/66/630128066.db2.gz KEMZKOHRZUKDFO-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1F ZINC000798956520 630128089 /nfs/dbraw/zinc/12/80/89/630128089.db2.gz BREMAFVUZNCCIX-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(CC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177808 630153019 /nfs/dbraw/zinc/15/30/19/630153019.db2.gz FMJRRDQKPLEYMT-UHFFFAOYSA-N 2 1 286.463 3.345 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cncc2ccccc21 ZINC000809756276 630801018 /nfs/dbraw/zinc/80/10/18/630801018.db2.gz NDGBTBGMRBTMIP-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000815560047 631795859 /nfs/dbraw/zinc/79/58/59/631795859.db2.gz XBKBREKGWRJZRP-RRQGHBQHSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000815560047 631795860 /nfs/dbraw/zinc/79/58/60/631795860.db2.gz XBKBREKGWRJZRP-RRQGHBQHSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000817938307 632238607 /nfs/dbraw/zinc/23/86/07/632238607.db2.gz IQNXHAZIPFWOSQ-CYBMUJFWSA-N 2 1 264.388 3.446 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000817964057 632259169 /nfs/dbraw/zinc/25/91/69/632259169.db2.gz XTLCUWQGUXWIFO-QKPAOTATSA-N 2 1 252.446 3.452 20 0 CGADMP CCCCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000817978260 632270153 /nfs/dbraw/zinc/27/01/53/632270153.db2.gz ZNTLADSWLAMEPZ-VVLHAWIVSA-N 2 1 258.409 3.115 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000865804616 632894535 /nfs/dbraw/zinc/89/45/35/632894535.db2.gz CHZSUSPTDMWGJX-RYQLBKOJSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000865804616 632894538 /nfs/dbraw/zinc/89/45/38/632894538.db2.gz CHZSUSPTDMWGJX-RYQLBKOJSA-N 2 1 294.483 3.331 20 0 CGADMP Cc1ccc2ccnc(N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)c2c1 ZINC000866208391 633030069 /nfs/dbraw/zinc/03/00/69/633030069.db2.gz ITMVUKZUFXILRU-DOTOQJQBSA-N 2 1 281.403 3.074 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000866233655 633038400 /nfs/dbraw/zinc/03/84/00/633038400.db2.gz XVNGFVIZOHERJR-BRWVUGGUSA-N 2 1 289.467 3.255 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000866233655 633038406 /nfs/dbraw/zinc/03/84/06/633038406.db2.gz XVNGFVIZOHERJR-BRWVUGGUSA-N 2 1 289.467 3.255 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(F)(F)F ZINC000866505515 633166588 /nfs/dbraw/zinc/16/65/88/633166588.db2.gz NPTDAXIBTMWOKY-VXGBXAGGSA-N 2 1 280.378 3.427 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561594 633192385 /nfs/dbraw/zinc/19/23/85/633192385.db2.gz HUEZCGQTICELMM-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561594 633192392 /nfs/dbraw/zinc/19/23/92/633192392.db2.gz HUEZCGQTICELMM-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000866704973 633234954 /nfs/dbraw/zinc/23/49/54/633234954.db2.gz ROVKJLCSRCUYCZ-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000866704973 633234958 /nfs/dbraw/zinc/23/49/58/633234958.db2.gz ROVKJLCSRCUYCZ-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc2cc[nH]c2c1 ZINC000866717631 633235375 /nfs/dbraw/zinc/23/53/75/633235375.db2.gz KOQBMJYHSBJXHQ-UHFFFAOYSA-N 2 1 285.435 3.380 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)[C@@H](C)C1 ZINC000846033760 636132614 /nfs/dbraw/zinc/13/26/14/636132614.db2.gz PJHFIUOZYPJABD-FQUUOJAGSA-N 2 1 276.827 3.011 20 0 CGADMP C[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000871784743 633863411 /nfs/dbraw/zinc/86/34/11/633863411.db2.gz JWDLRPJWDNRLFV-RLAWYHOSSA-N 2 1 281.444 3.040 20 0 CGADMP C[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000871784743 633863415 /nfs/dbraw/zinc/86/34/15/633863415.db2.gz JWDLRPJWDNRLFV-RLAWYHOSSA-N 2 1 281.444 3.040 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](CC)[C@H]1CCCOC1)[NH+](C)C ZINC000872021853 633942338 /nfs/dbraw/zinc/94/23/38/633942338.db2.gz SGLSGUQJNNTFEG-ULQDDVLXSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCOC1 ZINC000872024216 633944616 /nfs/dbraw/zinc/94/46/16/633944616.db2.gz YUBXMOUPLOMEDR-SQNIBIBYSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000872025478 633946246 /nfs/dbraw/zinc/94/62/46/633946246.db2.gz NMZDZIKRQZKNEA-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872071783 633993484 /nfs/dbraw/zinc/99/34/84/633993484.db2.gz XLFFWIAEDNDYCY-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872071783 633993488 /nfs/dbraw/zinc/99/34/88/633993488.db2.gz XLFFWIAEDNDYCY-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872073588 633995214 /nfs/dbraw/zinc/99/52/14/633995214.db2.gz SFTVMHLTJKYCMY-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872073588 633995220 /nfs/dbraw/zinc/99/52/20/633995220.db2.gz SFTVMHLTJKYCMY-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872082280 634006192 /nfs/dbraw/zinc/00/61/92/634006192.db2.gz TXXDHGFFAPUDNX-HZPDHXFCSA-N 2 1 284.488 3.148 20 0 CGADMP [NH3+]CCCCCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000846218377 636161158 /nfs/dbraw/zinc/16/11/58/636161158.db2.gz SBKSNMXKOQRECG-UHFFFAOYSA-N 2 1 278.415 3.352 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc2ncccc12 ZINC000872141309 634064789 /nfs/dbraw/zinc/06/47/89/634064789.db2.gz CWZAEUGKQYVSOX-MQVJKMGUSA-N 2 1 281.403 3.079 20 0 CGADMP C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000872147006 634065884 /nfs/dbraw/zinc/06/58/84/634065884.db2.gz BYRLIEWLNGAPID-HNNXBMFYSA-N 2 1 298.352 3.107 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1)C1CCCC1 ZINC000872156140 634066018 /nfs/dbraw/zinc/06/60/18/634066018.db2.gz FGESRUQJWVHZEU-CGTJXYLNSA-N 2 1 294.483 3.175 20 0 CGADMP Cc1csc([C@H]2CC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000872149002 634066297 /nfs/dbraw/zinc/06/62/97/634066297.db2.gz RXEQIHUHUVKXLN-AWEZNQCLSA-N 2 1 281.469 3.150 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)on1 ZINC000872156687 634068204 /nfs/dbraw/zinc/06/82/04/634068204.db2.gz LEUNYLMMMZFCHO-RHSMWYFYSA-N 2 1 291.439 3.103 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc(-c2ccccc2)[nH]1 ZINC000873231507 634293996 /nfs/dbraw/zinc/29/39/96/634293996.db2.gz LJJQNPYRRFSREA-UHFFFAOYSA-N 2 1 286.423 3.028 20 0 CGADMP C[N@H+](CCCCCC[NH3+])Cc1c[nH]c(-c2ccccc2)n1 ZINC000873231507 634294004 /nfs/dbraw/zinc/29/40/04/634294004.db2.gz LJJQNPYRRFSREA-UHFFFAOYSA-N 2 1 286.423 3.028 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1c[nH]c(-c2ccccc2)n1 ZINC000873231507 634294006 /nfs/dbraw/zinc/29/40/06/634294006.db2.gz LJJQNPYRRFSREA-UHFFFAOYSA-N 2 1 286.423 3.028 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1F)CCCCCC[NH3+] ZINC000873231707 634294031 /nfs/dbraw/zinc/29/40/31/634294031.db2.gz UUSBLYCWPGXOSG-SREVYHEPSA-N 2 1 282.378 3.429 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CC2(F)CC2)C1)C1CCCC1 ZINC000873232488 634294736 /nfs/dbraw/zinc/29/47/36/634294736.db2.gz ROXXJWFGQFADEM-HIFRSBDPSA-N 2 1 268.420 3.108 20 0 CGADMP Cc1ccsc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000019912961 634376462 /nfs/dbraw/zinc/37/64/62/634376462.db2.gz ZHHZRXCHKFRAGK-CQSZACIVSA-N 2 1 266.454 3.411 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000876917492 634928903 /nfs/dbraw/zinc/92/89/03/634928903.db2.gz UIYDRUMSWRJWTN-UHFFFAOYSA-N 2 1 295.814 3.301 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000876917492 634928909 /nfs/dbraw/zinc/92/89/09/634928909.db2.gz UIYDRUMSWRJWTN-UHFFFAOYSA-N 2 1 295.814 3.301 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841037617 635111335 /nfs/dbraw/zinc/11/13/35/635111335.db2.gz BHSSCKWUPZRVQC-LBPRGKRZSA-N 2 1 288.407 3.464 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)CCC1 ZINC000841051049 635114127 /nfs/dbraw/zinc/11/41/27/635114127.db2.gz NAFYBGDQYDQOJY-UHFFFAOYSA-N 2 1 290.354 3.270 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877739048 635172976 /nfs/dbraw/zinc/17/29/76/635172976.db2.gz DULMJERLOIFFGV-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000877739048 635172979 /nfs/dbraw/zinc/17/29/79/635172979.db2.gz DULMJERLOIFFGV-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000877739048 635172982 /nfs/dbraw/zinc/17/29/82/635172982.db2.gz DULMJERLOIFFGV-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000842473022 635377123 /nfs/dbraw/zinc/37/71/23/635377123.db2.gz MFHVOUIUARLTBN-HNNXBMFYSA-N 2 1 282.453 3.031 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000842473022 635377129 /nfs/dbraw/zinc/37/71/29/635377129.db2.gz MFHVOUIUARLTBN-HNNXBMFYSA-N 2 1 282.453 3.031 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2CCCCCCC[NH3+])on1 ZINC000842472465 635377250 /nfs/dbraw/zinc/37/72/50/635377250.db2.gz YMDLHHCSRVXDDG-CQSZACIVSA-N 2 1 265.401 3.029 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])CCc1ccccc1F ZINC000842472085 635378011 /nfs/dbraw/zinc/37/80/11/635378011.db2.gz QBLOSLKLRXIPJT-UHFFFAOYSA-N 2 1 266.404 3.209 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000878163572 635386973 /nfs/dbraw/zinc/38/69/73/635386973.db2.gz USJGKFWVNYPOSI-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCC2(F)F)CC[N@H+]1C ZINC000878163572 635386976 /nfs/dbraw/zinc/38/69/76/635386976.db2.gz USJGKFWVNYPOSI-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)CC[NH+]1C ZINC000878163572 635386978 /nfs/dbraw/zinc/38/69/78/635386978.db2.gz USJGKFWVNYPOSI-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)CC[NH+]1C ZINC000878163572 635386980 /nfs/dbraw/zinc/38/69/80/635386980.db2.gz USJGKFWVNYPOSI-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCSC(C)(C)C)CC[C@@H]21 ZINC000878196566 635408204 /nfs/dbraw/zinc/40/82/04/635408204.db2.gz GETMKACLXYTBAU-GJZGRUSLSA-N 2 1 284.513 3.324 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCSC(C)(C)C)CC[C@@H]21 ZINC000878196566 635408210 /nfs/dbraw/zinc/40/82/10/635408210.db2.gz GETMKACLXYTBAU-GJZGRUSLSA-N 2 1 284.513 3.324 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCSC(C)(C)C)CC[C@@H]21 ZINC000878196566 635408214 /nfs/dbraw/zinc/40/82/14/635408214.db2.gz GETMKACLXYTBAU-GJZGRUSLSA-N 2 1 284.513 3.324 20 0 CGADMP Cc1nccn1CCC[N@H+](C)CC1CC2(CCC2)C1 ZINC000878288328 635444235 /nfs/dbraw/zinc/44/42/35/635444235.db2.gz VQKGGCDOGWTWNR-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC000878288328 635444238 /nfs/dbraw/zinc/44/42/38/635444238.db2.gz VQKGGCDOGWTWNR-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CC2(CCC2)C1 ZINC000878288328 635444242 /nfs/dbraw/zinc/44/42/42/635444242.db2.gz VQKGGCDOGWTWNR-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP C[C@H]([NH2+]CCCC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412423 635496008 /nfs/dbraw/zinc/49/60/08/635496008.db2.gz VADIJNPDGXRMFM-GOEBONIOSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)[C@H](c2ccccc2)C1 ZINC000842924650 635512969 /nfs/dbraw/zinc/51/29/69/635512969.db2.gz RLAQLZCVSAWYLV-YDZRNGNQSA-N 2 1 284.447 3.110 20 0 CGADMP C([C@@H]1CCC[NH2+]1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000843062334 635555259 /nfs/dbraw/zinc/55/52/59/635555259.db2.gz OFVLYGAKBWEYJA-HNNXBMFYSA-N 2 1 250.430 3.175 20 0 CGADMP C([C@@H]1CCC[NH2+]1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000843062334 635555264 /nfs/dbraw/zinc/55/52/64/635555264.db2.gz OFVLYGAKBWEYJA-HNNXBMFYSA-N 2 1 250.430 3.175 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000878653185 635592967 /nfs/dbraw/zinc/59/29/67/635592967.db2.gz ZYYZTQRAROPODP-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000878653185 635592970 /nfs/dbraw/zinc/59/29/70/635592970.db2.gz ZYYZTQRAROPODP-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000878653185 635592972 /nfs/dbraw/zinc/59/29/72/635592972.db2.gz ZYYZTQRAROPODP-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cc2cnccc2o1 ZINC000879712270 635840824 /nfs/dbraw/zinc/84/08/24/635840824.db2.gz IMNSTKOWRCVIIS-UKRRQHHQSA-N 2 1 287.407 3.353 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cc2cnccc2o1 ZINC000879712270 635840827 /nfs/dbraw/zinc/84/08/27/635840827.db2.gz IMNSTKOWRCVIIS-UKRRQHHQSA-N 2 1 287.407 3.353 20 0 CGADMP CC(C)OCCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948986 635885692 /nfs/dbraw/zinc/88/56/92/635885692.db2.gz PWFSVFXNECYEIZ-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCc2nc(Cl)ccc21 ZINC000846175943 636154044 /nfs/dbraw/zinc/15/40/44/636154044.db2.gz AMDRVDDEWAZQSL-CQSZACIVSA-N 2 1 295.858 3.290 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000846175943 636154047 /nfs/dbraw/zinc/15/40/47/636154047.db2.gz AMDRVDDEWAZQSL-CQSZACIVSA-N 2 1 295.858 3.290 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000846175943 636154051 /nfs/dbraw/zinc/15/40/51/636154051.db2.gz AMDRVDDEWAZQSL-CQSZACIVSA-N 2 1 295.858 3.290 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](c2ccc(F)cc2)O1 ZINC000846219023 636162291 /nfs/dbraw/zinc/16/22/91/636162291.db2.gz CXMLXQWZPWWNAE-RHSMWYFYSA-N 2 1 294.414 3.107 20 0 CGADMP CCC[C@@H](C)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000883251295 636621831 /nfs/dbraw/zinc/62/18/31/636621831.db2.gz KAWDAVJTDMIBFK-GFCCVEGCSA-N 2 1 269.458 3.121 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)F)CC1(C)C ZINC000883251521 636622856 /nfs/dbraw/zinc/62/28/56/636622856.db2.gz SIWYEDVJGXQAQM-NSHDSACASA-N 2 1 262.388 3.130 20 0 CGADMP CCC[C@@H](C)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883257581 636626545 /nfs/dbraw/zinc/62/65/45/636626545.db2.gz FWXGEOQRWODLJR-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP FC1(F)CCC[C@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883274819 636647215 /nfs/dbraw/zinc/64/72/15/636647215.db2.gz VSGJFEIZTWKDKQ-LBPRGKRZSA-N 2 1 272.383 3.028 20 0 CGADMP Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(Cl)n1 ZINC000883301893 636656616 /nfs/dbraw/zinc/65/66/16/636656616.db2.gz LAIVDFODLKDSPL-ZNMIVQPWSA-N 2 1 293.842 3.006 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(Cl)n1 ZINC000883301893 636656618 /nfs/dbraw/zinc/65/66/18/636656618.db2.gz LAIVDFODLKDSPL-ZNMIVQPWSA-N 2 1 293.842 3.006 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(Cl)n1 ZINC000883301893 636656621 /nfs/dbraw/zinc/65/66/21/636656621.db2.gz LAIVDFODLKDSPL-ZNMIVQPWSA-N 2 1 293.842 3.006 20 0 CGADMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@H+](C)C(C)C)c1 ZINC000848987953 636706279 /nfs/dbraw/zinc/70/62/79/636706279.db2.gz RZCQXWZEMGTFLU-UHFFFAOYSA-N 2 1 290.455 3.477 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CCCSC1)[N@@H+](C)Cc1ccccc1 ZINC000131656822 636715985 /nfs/dbraw/zinc/71/59/85/636715985.db2.gz WJNNRNJBFAIZME-WBVHZDCISA-N 2 1 292.492 3.382 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2ccns2)C1)C1CCCC1 ZINC000883440889 636758294 /nfs/dbraw/zinc/75/82/94/636758294.db2.gz BYVYMCXIMMLXBQ-BBRMVZONSA-N 2 1 293.480 3.263 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2ccns2)C1)C1CCCC1 ZINC000883440892 636758763 /nfs/dbraw/zinc/75/87/63/636758763.db2.gz BYVYMCXIMMLXBQ-XJKSGUPXSA-N 2 1 293.480 3.263 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459015 636760567 /nfs/dbraw/zinc/76/05/67/636760567.db2.gz GFWOBSRQKRSXLQ-UHFFFAOYSA-N 2 1 270.376 3.151 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459015 636760578 /nfs/dbraw/zinc/76/05/78/636760578.db2.gz GFWOBSRQKRSXLQ-UHFFFAOYSA-N 2 1 270.376 3.151 20 0 CGADMP FC(F)Oc1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458710 636761209 /nfs/dbraw/zinc/76/12/09/636761209.db2.gz URAKYSRILJEOSU-UHFFFAOYSA-N 2 1 296.361 3.006 20 0 CGADMP FC(F)Oc1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458710 636761214 /nfs/dbraw/zinc/76/12/14/636761214.db2.gz URAKYSRILJEOSU-UHFFFAOYSA-N 2 1 296.361 3.006 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000850539570 637113681 /nfs/dbraw/zinc/11/36/81/637113681.db2.gz DIEMFOBJDPPYPM-QZTJIDSGSA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000850539568 637114112 /nfs/dbraw/zinc/11/41/12/637114112.db2.gz DIEMFOBJDPPYPM-MSOLQXFVSA-N 2 1 274.452 3.328 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000885946971 637325144 /nfs/dbraw/zinc/32/51/44/637325144.db2.gz WSEHKNKLFOOIPF-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000885946971 637325147 /nfs/dbraw/zinc/32/51/47/637325147.db2.gz WSEHKNKLFOOIPF-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885953688 637328966 /nfs/dbraw/zinc/32/89/66/637328966.db2.gz CWWWPTQUXBWXIT-HQQUCIOCSA-N 2 1 276.399 3.160 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000885969157 637337862 /nfs/dbraw/zinc/33/78/62/637337862.db2.gz LQNKEYSUUWGZME-BRWVUGGUSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000852007518 637571122 /nfs/dbraw/zinc/57/11/22/637571122.db2.gz OHFRWLSGVLNTIT-AWEZNQCLSA-N 2 1 288.426 3.476 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCSC(C)C)CC2)[nH+]c1C ZINC000886661125 637639459 /nfs/dbraw/zinc/63/94/59/637639459.db2.gz NDIJCGANKMAGKF-UHFFFAOYSA-N 2 1 281.469 3.348 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3ccncc3)CC2)[nH+]c1C ZINC000886666174 637640984 /nfs/dbraw/zinc/64/09/84/637640984.db2.gz OBDBSWIFIAKLGL-AWEZNQCLSA-N 2 1 284.407 3.362 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000852716051 637699784 /nfs/dbraw/zinc/69/97/84/637699784.db2.gz GTCBBBQPQAJVJR-NSHDSACASA-N 2 1 281.271 3.280 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000852716051 637699790 /nfs/dbraw/zinc/69/97/90/637699790.db2.gz GTCBBBQPQAJVJR-NSHDSACASA-N 2 1 281.271 3.280 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852758983 637708027 /nfs/dbraw/zinc/70/80/27/637708027.db2.gz IHGLDMNODSYLSO-IRXDYDNUSA-N 2 1 282.472 3.177 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000886858147 637716154 /nfs/dbraw/zinc/71/61/54/637716154.db2.gz OTFUOFOZQKKWNZ-HLLBOEOZSA-N 2 1 258.409 3.069 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222840780 637830942 /nfs/dbraw/zinc/83/09/42/637830942.db2.gz XYEKRMYEOKRMRP-IPYPFGDCSA-N 2 1 280.843 3.343 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222840780 637830946 /nfs/dbraw/zinc/83/09/46/637830946.db2.gz XYEKRMYEOKRMRP-IPYPFGDCSA-N 2 1 280.843 3.343 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000300411282 637837465 /nfs/dbraw/zinc/83/74/65/637837465.db2.gz MITPPLNPNHKIGT-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000300411282 637837470 /nfs/dbraw/zinc/83/74/70/637837470.db2.gz MITPPLNPNHKIGT-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2[nH+]ccc3c(N)cccc32)C1 ZINC000853412158 637839196 /nfs/dbraw/zinc/83/91/96/637839196.db2.gz WZSMQYCNKHVOPV-OLZOCXBDSA-N 2 1 284.407 3.102 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000300667788 637849208 /nfs/dbraw/zinc/84/92/08/637849208.db2.gz IJJKSTDQHREEQW-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000300667788 637849210 /nfs/dbraw/zinc/84/92/10/637849210.db2.gz IJJKSTDQHREEQW-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000223191597 637851780 /nfs/dbraw/zinc/85/17/80/637851780.db2.gz ALEUAPMPYMEGNW-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cnn1-c1ccccc1 ZINC000854221972 638026046 /nfs/dbraw/zinc/02/60/46/638026046.db2.gz BFHAPKZGGRCYFK-CQSZACIVSA-N 2 1 298.434 3.103 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000924958746 638430555 /nfs/dbraw/zinc/43/05/55/638430555.db2.gz HHTWKGKQULAEBI-KURKYZTESA-N 2 1 296.499 3.028 20 0 CGADMP CC[NH+](CC)C[C@H](C)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924956283 638430669 /nfs/dbraw/zinc/43/06/69/638430669.db2.gz XZKGUKDRZIXUER-JKSUJKDBSA-N 2 1 291.483 3.129 20 0 CGADMP CC[NH+](CC)C[C@@H](C)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924956282 638431336 /nfs/dbraw/zinc/43/13/36/638431336.db2.gz XZKGUKDRZIXUER-HZPDHXFCSA-N 2 1 291.483 3.129 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000925063340 638444983 /nfs/dbraw/zinc/44/49/83/638444983.db2.gz RQZGUQAGRHFEST-NVXWUHKLSA-N 2 1 294.483 3.212 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000925784265 638612877 /nfs/dbraw/zinc/61/28/77/638612877.db2.gz IMATVQKHOLVIEV-BFQNTYOBSA-N 2 1 282.378 3.107 20 0 CGADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000925834061 638627229 /nfs/dbraw/zinc/62/72/29/638627229.db2.gz VGCHFMRASKGDAK-NWDGAFQWSA-N 2 1 293.480 3.018 20 0 CGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000925843509 638631668 /nfs/dbraw/zinc/63/16/68/638631668.db2.gz QNARLKCIZRRGOT-QSGSBWRWSA-N 2 1 298.352 3.287 20 0 CGADMP COc1c(C)cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1C ZINC000858245348 638662760 /nfs/dbraw/zinc/66/27/60/638662760.db2.gz QRHMPMLHWQODOI-MRXNPFEDSA-N 2 1 290.451 3.134 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926445560 638772316 /nfs/dbraw/zinc/77/23/16/638772316.db2.gz XNZDAOSGRXMVFU-HPUBIQBYSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926445560 638772318 /nfs/dbraw/zinc/77/23/18/638772318.db2.gz XNZDAOSGRXMVFU-HPUBIQBYSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cccc(C[NH+](C)C)c1 ZINC000926534170 638782170 /nfs/dbraw/zinc/78/21/70/638782170.db2.gz XMHHUZDGJUNXHG-KEYYUXOJSA-N 2 1 298.434 3.301 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926645045 638794566 /nfs/dbraw/zinc/79/45/66/638794566.db2.gz NBRGTXPSHCXGLI-HNNXBMFYSA-N 2 1 292.471 3.237 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926645045 638794567 /nfs/dbraw/zinc/79/45/67/638794567.db2.gz NBRGTXPSHCXGLI-HNNXBMFYSA-N 2 1 292.471 3.237 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926799300 638813396 /nfs/dbraw/zinc/81/33/96/638813396.db2.gz QMKOOXXHJPRSNG-CHWSQXEVSA-N 2 1 278.362 3.037 20 0 CGADMP COC/C(C)=C/C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000929421885 638924390 /nfs/dbraw/zinc/92/43/90/638924390.db2.gz NWUVCGSNZNFBHI-SMHZUEHJSA-N 2 1 294.483 3.023 20 0 CGADMP COC/C(C)=C/C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000929421885 638924391 /nfs/dbraw/zinc/92/43/91/638924391.db2.gz NWUVCGSNZNFBHI-SMHZUEHJSA-N 2 1 294.483 3.023 20 0 CGADMP COC/C(C)=C/CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000929644298 638936972 /nfs/dbraw/zinc/93/69/72/638936972.db2.gz PDCSFNKMKHEACJ-BIJQAGJASA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C/C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000929644298 638936974 /nfs/dbraw/zinc/93/69/74/638936974.db2.gz PDCSFNKMKHEACJ-BIJQAGJASA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C/C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000929644298 638936976 /nfs/dbraw/zinc/93/69/76/638936976.db2.gz PDCSFNKMKHEACJ-BIJQAGJASA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C/C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000929644298 638936978 /nfs/dbraw/zinc/93/69/78/638936978.db2.gz PDCSFNKMKHEACJ-BIJQAGJASA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C/C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000929644298 638936979 /nfs/dbraw/zinc/93/69/79/638936979.db2.gz PDCSFNKMKHEACJ-BIJQAGJASA-N 2 1 294.483 3.166 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000859212045 639110682 /nfs/dbraw/zinc/11/06/82/639110682.db2.gz CGFNMFHHDLRQMT-BCDXTJNWSA-N 2 1 272.436 3.226 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@H]2CCCCO2)cc1 ZINC000859212403 639110875 /nfs/dbraw/zinc/11/08/75/639110875.db2.gz JBNGLPJOXMEFHO-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CCSC3CCCCC3)C[C@]2(C)C1 ZINC000931313481 639133444 /nfs/dbraw/zinc/13/34/44/639133444.db2.gz BUTGDVGGOROFRW-IRXDYDNUSA-N 2 1 296.524 3.326 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931923749 639233425 /nfs/dbraw/zinc/23/34/25/639233425.db2.gz ABCNWMFBTZHWRG-MOPGFXCFSA-N 2 1 295.430 3.245 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931923749 639233432 /nfs/dbraw/zinc/23/34/32/639233432.db2.gz ABCNWMFBTZHWRG-MOPGFXCFSA-N 2 1 295.430 3.245 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCC[C@H]1COC(C)(C)C ZINC000932171112 639287080 /nfs/dbraw/zinc/28/70/80/639287080.db2.gz UMRHCALSHHBULZ-INIZCTEOSA-N 2 1 293.455 3.251 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1COC(C)(C)C ZINC000932171112 639287094 /nfs/dbraw/zinc/28/70/94/639287094.db2.gz UMRHCALSHHBULZ-INIZCTEOSA-N 2 1 293.455 3.251 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1COC(C)(C)C ZINC000932171112 639287098 /nfs/dbraw/zinc/28/70/98/639287098.db2.gz UMRHCALSHHBULZ-INIZCTEOSA-N 2 1 293.455 3.251 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000076443453 640199276 /nfs/dbraw/zinc/19/92/76/640199276.db2.gz YPEPISIAHSRPPF-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000091661176 640718126 /nfs/dbraw/zinc/71/81/26/640718126.db2.gz HTHUDZHMTSUVJA-INIZCTEOSA-N 2 1 287.451 3.312 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000250592232 640814655 /nfs/dbraw/zinc/81/46/55/640814655.db2.gz HSQOVNCAWVCPBC-QBPKDAKJSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+]1CCC[C@@H](CCNc2ccc3c([nH+]2)CCCC3)C1 ZINC001156377804 805680065 /nfs/dbraw/zinc/68/00/65/805680065.db2.gz GGGFBOYOLOINTI-AWEZNQCLSA-N 2 1 273.424 3.104 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2ccc3c([nH+]2)CCCC3)C1 ZINC001156377804 805680071 /nfs/dbraw/zinc/68/00/71/805680071.db2.gz GGGFBOYOLOINTI-AWEZNQCLSA-N 2 1 273.424 3.104 20 0 CGADMP CCSc1ccnc(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001156385898 805681499 /nfs/dbraw/zinc/68/14/99/805681499.db2.gz LUDVLSGOZSCLAR-ZDUSSCGKSA-N 2 1 279.453 3.337 20 0 CGADMP Cc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c(C)c(C)[nH+]1 ZINC001158270419 805934218 /nfs/dbraw/zinc/93/42/18/805934218.db2.gz CYWYXUBBHAETIW-RHSMWYFYSA-N 2 1 290.455 3.357 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CCC[C@](C)(C[NH3+])C3)c2c1 ZINC001158679296 805985552 /nfs/dbraw/zinc/98/55/52/805985552.db2.gz TWKULDBQSICZPB-QGZVFWFLSA-N 2 1 269.392 3.108 20 0 CGADMP Cc1ccc2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c2c1 ZINC001158827145 806009746 /nfs/dbraw/zinc/00/97/46/806009746.db2.gz PFGBIZJJXQUMTH-UHFFFAOYSA-N 2 1 281.403 3.441 20 0 CGADMP CC(C)c1ccc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]c1 ZINC001160744249 806299164 /nfs/dbraw/zinc/29/91/64/806299164.db2.gz ZDWJRWUVQUMIDJ-NWDGAFQWSA-N 2 1 287.329 3.157 20 0 CGADMP [NH3+]Cc1ccccc1CNc1cc(C2CC2)cc[nH+]1 ZINC001160907294 806318612 /nfs/dbraw/zinc/31/86/12/806318612.db2.gz PDRZLSOPCVQWFV-UHFFFAOYSA-N 2 1 253.349 3.030 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC(F)(F)CC1 ZINC001254207687 806364559 /nfs/dbraw/zinc/36/45/59/806364559.db2.gz PCVCHBLMFJHQET-UHFFFAOYSA-N 2 1 262.388 3.276 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(F)(F)CC1 ZINC001254207687 806364569 /nfs/dbraw/zinc/36/45/69/806364569.db2.gz PCVCHBLMFJHQET-UHFFFAOYSA-N 2 1 262.388 3.276 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453587 806406304 /nfs/dbraw/zinc/40/63/04/806406304.db2.gz JWRRHKMZCIVYOY-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453587 806406307 /nfs/dbraw/zinc/40/63/07/806406307.db2.gz JWRRHKMZCIVYOY-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453587 806406313 /nfs/dbraw/zinc/40/63/13/806406313.db2.gz JWRRHKMZCIVYOY-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](C3CCc4ccccc4CC3)C2)CC1 ZINC001254461854 806409803 /nfs/dbraw/zinc/40/98/03/806409803.db2.gz NWZXGSULMQRDDO-UHFFFAOYSA-N 2 1 298.474 3.352 20 0 CGADMP CCC[C@H](CCc1ccccc1)n1c[nH+]cc1CC[NH3+] ZINC001254482219 806412678 /nfs/dbraw/zinc/41/26/78/806412678.db2.gz HHOYKPQSAXMFKC-MRXNPFEDSA-N 2 1 271.408 3.358 20 0 CGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254503299 806423127 /nfs/dbraw/zinc/42/31/27/806423127.db2.gz LULWWLXXRAYFLH-SJORKVTESA-N 2 1 290.451 3.145 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3occc3c2)CC1 ZINC001254501761 806423650 /nfs/dbraw/zinc/42/36/50/806423650.db2.gz XJMSHBZFJQWAGN-HNNXBMFYSA-N 2 1 258.365 3.007 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C2CC2)cc1 ZINC001254506220 806425853 /nfs/dbraw/zinc/42/58/53/806425853.db2.gz PJJHXRGDBSSRBG-SJLPKXTDSA-N 2 1 288.435 3.220 20 0 CGADMP Cc1ccc(Cl)c(CC[NH2+][C@H]2CCC[N@H+](C)CC2)c1F ZINC001254508806 806427957 /nfs/dbraw/zinc/42/79/57/806427957.db2.gz MHMUQTRZLNCOIX-ZDUSSCGKSA-N 2 1 298.833 3.404 20 0 CGADMP CCC1([NH2+][C@@H]2CCC[N@@H+](C)CC2)CCC(F)(F)CC1 ZINC001254511664 806430573 /nfs/dbraw/zinc/43/05/73/806430573.db2.gz BYCLDSOFWZORQL-CYBMUJFWSA-N 2 1 274.399 3.418 20 0 CGADMP Cc1c[nH+]c(NCCCC[NH+](C)C)c2ccccc12 ZINC001161725088 806435801 /nfs/dbraw/zinc/43/58/01/806435801.db2.gz UHPCQPYCQJVNNY-UHFFFAOYSA-N 2 1 257.381 3.297 20 0 CGADMP Cc1cccc(C(=[NH2+])N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001255102890 806544094 /nfs/dbraw/zinc/54/40/94/806544094.db2.gz PXJQPLDNPOIIKA-SFHVURJKSA-N 2 1 293.414 3.184 20 0 CGADMP Cc1cccc(C(=[NH2+])N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001255102890 806544100 /nfs/dbraw/zinc/54/41/00/806544100.db2.gz PXJQPLDNPOIIKA-SFHVURJKSA-N 2 1 293.414 3.184 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C24CC(C2)C4)C3)cc1 ZINC001255121829 806548149 /nfs/dbraw/zinc/54/81/49/806548149.db2.gz HSMADFCDYBQDRI-MHHKEESVSA-N 2 1 282.431 3.324 20 0 CGADMP C[NH2+]Cc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001255119695 806548760 /nfs/dbraw/zinc/54/87/60/806548760.db2.gz ZIDIFRXAYSECLL-LJQANCHMSA-N 2 1 295.430 3.092 20 0 CGADMP CCCOCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255387626 806629881 /nfs/dbraw/zinc/62/98/81/806629881.db2.gz UONRKDULFJGODX-SFHVURJKSA-N 2 1 290.451 3.057 20 0 CGADMP C[C@H]([NH3+])c1ccc2c(ccn2-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001162914345 806685176 /nfs/dbraw/zinc/68/51/76/806685176.db2.gz RZMAJJVOXZZYTJ-LBPRGKRZSA-N 2 1 292.386 3.181 20 0 CGADMP C[C@H](CC(F)(F)F)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001255638421 806687416 /nfs/dbraw/zinc/68/74/16/806687416.db2.gz AECLESIVRDMGDT-QWHCGFSZSA-N 2 1 288.357 3.424 20 0 CGADMP COc1ccc2c(c1)C[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255680467 806703534 /nfs/dbraw/zinc/70/35/34/806703534.db2.gz VZJPLEIZWRZOJD-SJPCQFCGSA-N 2 1 286.419 3.026 20 0 CGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255680467 806703540 /nfs/dbraw/zinc/70/35/40/806703540.db2.gz VZJPLEIZWRZOJD-SJPCQFCGSA-N 2 1 286.419 3.026 20 0 CGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255680467 806703545 /nfs/dbraw/zinc/70/35/45/806703545.db2.gz VZJPLEIZWRZOJD-SJPCQFCGSA-N 2 1 286.419 3.026 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001255727634 806723626 /nfs/dbraw/zinc/72/36/26/806723626.db2.gz GTQPODSJXNXWGF-UKRRQHHQSA-N 2 1 296.455 3.380 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000312754142 799229154 /nfs/dbraw/zinc/22/91/54/799229154.db2.gz WNRLJFQABOARTF-OAHLLOKOSA-N 2 1 268.404 3.401 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c[nH]c21 ZINC000314266800 799233448 /nfs/dbraw/zinc/23/34/48/799233448.db2.gz TUNXKHKBAJWZQL-AWEZNQCLSA-N 2 1 285.435 3.291 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001255748637 806734174 /nfs/dbraw/zinc/73/41/74/806734174.db2.gz DIPCWDFGOABHOQ-HUUCEWRRSA-N 2 1 278.465 3.017 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+])cc1 ZINC001255755476 806737743 /nfs/dbraw/zinc/73/77/43/806737743.db2.gz LJDDZZHXIYHXES-ZIAGYGMSSA-N 2 1 266.454 3.002 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+](C)C(C)(C)C[NH3+])cc1 ZINC001255757822 806738381 /nfs/dbraw/zinc/73/83/81/806738381.db2.gz AIVUOCSNJFXRFP-CYBMUJFWSA-N 2 1 266.454 3.145 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+](C)C(C)(C)C[NH3+])cc1 ZINC001255757822 806738387 /nfs/dbraw/zinc/73/83/87/806738387.db2.gz AIVUOCSNJFXRFP-CYBMUJFWSA-N 2 1 266.454 3.145 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000388881827 799457041 /nfs/dbraw/zinc/45/70/41/799457041.db2.gz JKPSIOXTMCHMLD-UHFFFAOYSA-N 2 1 258.409 3.302 20 0 CGADMP CC[C@]1(C)CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000399372865 799537859 /nfs/dbraw/zinc/53/78/59/799537859.db2.gz WBIUFCWIBGBWIT-WTXIUTQJSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000401475530 799555528 /nfs/dbraw/zinc/55/55/28/799555528.db2.gz LGLCJHDOXMGOFE-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798260 806758064 /nfs/dbraw/zinc/75/80/64/806758064.db2.gz YVOJLYAIFWPRFO-YTQUADARSA-N 2 1 286.463 3.200 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798260 806758067 /nfs/dbraw/zinc/75/80/67/806758067.db2.gz YVOJLYAIFWPRFO-YTQUADARSA-N 2 1 286.463 3.200 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798260 806758071 /nfs/dbraw/zinc/75/80/71/806758071.db2.gz YVOJLYAIFWPRFO-YTQUADARSA-N 2 1 286.463 3.200 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1OC(F)F ZINC000405353974 799583969 /nfs/dbraw/zinc/58/39/69/799583969.db2.gz PYGNAGWTTNUYEH-LEWSCRJBSA-N 2 1 296.361 3.209 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421861477 799597155 /nfs/dbraw/zinc/59/71/55/799597155.db2.gz VXDQFZMYFISKLE-WBVHZDCISA-N 2 1 289.467 3.039 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421861477 799597160 /nfs/dbraw/zinc/59/71/60/799597160.db2.gz VXDQFZMYFISKLE-WBVHZDCISA-N 2 1 289.467 3.039 20 0 CGADMP C[N@H+](Cc1ccsc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687980211 799742347 /nfs/dbraw/zinc/74/23/47/799742347.db2.gz VMGMYZIQWWEXTP-UHFFFAOYSA-N 2 1 278.446 3.087 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687962833 799743467 /nfs/dbraw/zinc/74/34/67/799743467.db2.gz PEMWZTTVNHIMPP-CQSZACIVSA-N 2 1 264.438 3.014 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687962934 799743756 /nfs/dbraw/zinc/74/37/56/799743756.db2.gz PQRFGHNVFLIMIT-GFCCVEGCSA-N 2 1 264.438 3.158 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001255872508 806776824 /nfs/dbraw/zinc/77/68/24/806776824.db2.gz IZLMUIUPUHYVFE-AWEZNQCLSA-N 2 1 278.415 3.030 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001255874502 806777595 /nfs/dbraw/zinc/77/75/95/806777595.db2.gz AMRSAVCAEOCAIE-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001255874502 806777598 /nfs/dbraw/zinc/77/75/98/806777598.db2.gz AMRSAVCAEOCAIE-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC2(CC2)CC1 ZINC000695733424 799833398 /nfs/dbraw/zinc/83/33/98/799833398.db2.gz AUQCPDBFZDZYLK-MQVJKMGUSA-N 2 1 262.441 3.301 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC2(CC2)CC1 ZINC000695733424 799833402 /nfs/dbraw/zinc/83/34/02/799833402.db2.gz AUQCPDBFZDZYLK-MQVJKMGUSA-N 2 1 262.441 3.301 20 0 CGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCCCCC1 ZINC001255882607 806782429 /nfs/dbraw/zinc/78/24/29/806782429.db2.gz DIXMSJGDDJGSML-UHFFFAOYSA-N 3 1 283.504 3.185 20 0 CGADMP FC1(F)CCC[N@@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC000702818937 799915508 /nfs/dbraw/zinc/91/55/08/799915508.db2.gz ZMXQRCYVAUXUNR-UHFFFAOYSA-N 2 1 274.399 3.420 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(Cl)cn1 ZINC000703861718 799931530 /nfs/dbraw/zinc/93/15/30/799931530.db2.gz XDJQHWKZTZZBMU-CYBMUJFWSA-N 2 1 281.831 3.089 20 0 CGADMP C[C@@H]1CCCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000705634858 799952241 /nfs/dbraw/zinc/95/22/41/799952241.db2.gz XWSKQSIDEKULQA-GFCCVEGCSA-N 2 1 264.438 3.016 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000708822585 799994905 /nfs/dbraw/zinc/99/49/05/799994905.db2.gz OQPIXKHATVWVQG-CWRNSKLLSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708849732 799996092 /nfs/dbraw/zinc/99/60/92/799996092.db2.gz LUYXEEMPUDIGMW-KBMXLJTQSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)C[NH2+]1 ZINC000708850887 799998124 /nfs/dbraw/zinc/99/81/24/799998124.db2.gz ROKNWKIJNZYFNQ-FVQBIDKESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@H](C3CCCCC3)C2)C[C@@H](C)[NH2+]1 ZINC000708851597 799998341 /nfs/dbraw/zinc/99/83/41/799998341.db2.gz VMHMTPNFGJLNPA-FMKPAKJESA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709893814 800022145 /nfs/dbraw/zinc/02/21/45/800022145.db2.gz VHTYYQVPIDDGAQ-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709893814 800022152 /nfs/dbraw/zinc/02/21/52/800022152.db2.gz VHTYYQVPIDDGAQ-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000710827619 800041015 /nfs/dbraw/zinc/04/10/15/800041015.db2.gz FISDTVWOPPOBMQ-LBPRGKRZSA-N 2 1 270.367 3.477 20 0 CGADMP c1cc2c(s1)C[N@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC000711911256 800080953 /nfs/dbraw/zinc/08/09/53/800080953.db2.gz OXQSTQZMUJQCHL-UHFFFAOYSA-N 2 1 278.465 3.419 20 0 CGADMP c1cc2c(s1)C[N@@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC000711911256 800080962 /nfs/dbraw/zinc/08/09/62/800080962.db2.gz OXQSTQZMUJQCHL-UHFFFAOYSA-N 2 1 278.465 3.419 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000715511689 800137644 /nfs/dbraw/zinc/13/76/44/800137644.db2.gz XFUCBGVMXIEFAT-ZIAGYGMSSA-N 2 1 281.831 3.006 20 0 CGADMP CC(C)([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC001256069145 806809480 /nfs/dbraw/zinc/80/94/80/806809480.db2.gz SEKQEGYBCSPHFY-UHFFFAOYSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000717460516 800201656 /nfs/dbraw/zinc/20/16/56/800201656.db2.gz COUPMLQTJSOFJY-IXIBIKRGSA-N 2 1 264.457 3.416 20 0 CGADMP COc1cccc(C(C)(C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256071891 806811778 /nfs/dbraw/zinc/81/17/78/806811778.db2.gz BVGZTEQOBQECSV-UHFFFAOYSA-N 2 1 288.435 3.147 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000718800414 800224101 /nfs/dbraw/zinc/22/41/01/800224101.db2.gz LTHRZCRGPPNQTN-JKSUJKDBSA-N 2 1 270.461 3.043 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256077773 806814288 /nfs/dbraw/zinc/81/42/88/806814288.db2.gz RHKOTJPDRXGAFS-SFHVURJKSA-N 2 1 270.420 3.450 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256077773 806814297 /nfs/dbraw/zinc/81/42/97/806814297.db2.gz RHKOTJPDRXGAFS-SFHVURJKSA-N 2 1 270.420 3.450 20 0 CGADMP C[N@H+](CCc1ccc(Cl)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256078976 806814947 /nfs/dbraw/zinc/81/49/47/806814947.db2.gz HLKVRVSHIIGLSK-UHFFFAOYSA-N 2 1 292.854 3.441 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256078976 806814953 /nfs/dbraw/zinc/81/49/53/806814953.db2.gz HLKVRVSHIIGLSK-UHFFFAOYSA-N 2 1 292.854 3.441 20 0 CGADMP CSC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000720521444 800260251 /nfs/dbraw/zinc/26/02/51/800260251.db2.gz IBVRNXSBNHMDRB-FYRZTWFESA-N 2 1 282.497 3.125 20 0 CGADMP CC1(C[N@H+]2Cc3ccccc3C[C@H]2CN)CCCCC1 ZINC000721553888 800293148 /nfs/dbraw/zinc/29/31/48/800293148.db2.gz XDHKYGOIFGEWRF-KRWDZBQOSA-N 2 1 272.436 3.342 20 0 CGADMP Cc1cc(C)nc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000723844783 800339286 /nfs/dbraw/zinc/33/92/86/800339286.db2.gz BLNRRICIQJXDNT-UHFFFAOYSA-N 2 1 283.419 3.049 20 0 CGADMP Cc1cc(C)nc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000723844783 800339295 /nfs/dbraw/zinc/33/92/95/800339295.db2.gz BLNRRICIQJXDNT-UHFFFAOYSA-N 2 1 283.419 3.049 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCc3ccccc3[C@@H](C)C2)[nH]1 ZINC000724792120 800366980 /nfs/dbraw/zinc/36/69/80/800366980.db2.gz NFCRQGBDANEQKP-LBPRGKRZSA-N 2 1 269.392 3.188 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000822128028 800459852 /nfs/dbraw/zinc/45/98/52/800459852.db2.gz LSSDBEXQLXNGNH-HZPDHXFCSA-N 2 1 264.388 3.351 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1cccc(OC)c1 ZINC001256169292 806842248 /nfs/dbraw/zinc/84/22/48/806842248.db2.gz JFALQWMMFYWOJC-INIZCTEOSA-N 2 1 292.467 3.290 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001256197616 806847080 /nfs/dbraw/zinc/84/70/80/806847080.db2.gz MYCJBFXVFRKKRQ-INIZCTEOSA-N 2 1 264.388 3.351 20 0 CGADMP C[NH+]1CCC([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC001256200080 806847429 /nfs/dbraw/zinc/84/74/29/806847429.db2.gz LSBCFNWATUNNRX-LMMRHLTPSA-N 2 1 276.468 3.419 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CCN(C)CC1 ZINC001256202352 806850605 /nfs/dbraw/zinc/85/06/05/806850605.db2.gz DWQPWIGSPBBTLA-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP C[C@@H](Cc1ccccn1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256406209 806884522 /nfs/dbraw/zinc/88/45/22/806884522.db2.gz RQZGCMSEXFVPNA-MPGHIAIKSA-N 2 1 287.451 3.137 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256565489 806916225 /nfs/dbraw/zinc/91/62/25/806916225.db2.gz ITLQSRKFNGCOAX-INIZCTEOSA-N 2 1 295.515 3.102 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(C(F)F)CC2)CC1 ZINC001256573872 806919410 /nfs/dbraw/zinc/91/94/10/806919410.db2.gz PHXJFYPEIVQUOW-UHFFFAOYSA-N 2 1 274.399 3.226 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001256570081 806920164 /nfs/dbraw/zinc/92/01/64/806920164.db2.gz XLJKCSLTKCANLG-MRXNPFEDSA-N 2 1 270.436 3.463 20 0 CGADMP CC[N@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621001 806928568 /nfs/dbraw/zinc/92/85/68/806928568.db2.gz IDJQUEHWTLMACV-XYPWUTKMSA-N 2 1 250.430 3.266 20 0 CGADMP CC[N@@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621001 806928571 /nfs/dbraw/zinc/92/85/71/806928571.db2.gz IDJQUEHWTLMACV-XYPWUTKMSA-N 2 1 250.430 3.266 20 0 CGADMP CC[NH+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621001 806928573 /nfs/dbraw/zinc/92/85/73/806928573.db2.gz IDJQUEHWTLMACV-XYPWUTKMSA-N 2 1 250.430 3.266 20 0 CGADMP CC[NH+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621001 806928576 /nfs/dbraw/zinc/92/85/76/806928576.db2.gz IDJQUEHWTLMACV-XYPWUTKMSA-N 2 1 250.430 3.266 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001116292717 802326265 /nfs/dbraw/zinc/32/62/65/802326265.db2.gz BWJHAFIIDQMCNB-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)[C@H]2CCC[C@@H]21 ZINC001117138991 802436616 /nfs/dbraw/zinc/43/66/16/802436616.db2.gz AMXJHXYOXABEHG-SNPRPXQTSA-N 2 1 296.817 3.442 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC001119375434 802655394 /nfs/dbraw/zinc/65/53/94/802655394.db2.gz FNIOPGXBEHXNJA-BFYDXBDKSA-N 2 1 258.409 3.069 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC(CC)CC3)C[C@@H]2C1 ZINC001256876231 806998953 /nfs/dbraw/zinc/99/89/53/806998953.db2.gz JXPBMGAWDYZDTJ-HPZPOOBXSA-N 2 1 264.457 3.229 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC(CC)CC3)C[C@@H]2C1 ZINC001256876231 806998956 /nfs/dbraw/zinc/99/89/56/806998956.db2.gz JXPBMGAWDYZDTJ-HPZPOOBXSA-N 2 1 264.457 3.229 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCC(CC)CC3)C[C@@H]2C1 ZINC001256876231 806998960 /nfs/dbraw/zinc/99/89/60/806998960.db2.gz JXPBMGAWDYZDTJ-HPZPOOBXSA-N 2 1 264.457 3.229 20 0 CGADMP Fc1ccccc1CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256893897 807000602 /nfs/dbraw/zinc/00/06/02/807000602.db2.gz BDDSNLMIKHSXPF-INIZCTEOSA-N 2 1 290.426 3.365 20 0 CGADMP Fc1ccccc1CC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256893897 807000608 /nfs/dbraw/zinc/00/06/08/807000608.db2.gz BDDSNLMIKHSXPF-INIZCTEOSA-N 2 1 290.426 3.365 20 0 CGADMP CC[NH+](CC)CCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898061 807002782 /nfs/dbraw/zinc/00/27/82/807002782.db2.gz JKHHLVZRVNPMJS-QGZVFWFLSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898061 807002790 /nfs/dbraw/zinc/00/27/90/807002790.db2.gz JKHHLVZRVNPMJS-QGZVFWFLSA-N 3 1 295.515 3.105 20 0 CGADMP CC1(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CCC1 ZINC001256901555 807003499 /nfs/dbraw/zinc/00/34/99/807003499.db2.gz XYUYASCURMSJPI-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CCC1 ZINC001256901555 807003506 /nfs/dbraw/zinc/00/35/06/807003506.db2.gz XYUYASCURMSJPI-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811889 813443697 /nfs/dbraw/zinc/44/36/97/813443697.db2.gz WOZVGGNYGAUDMM-CVEARBPZSA-N 2 1 290.451 3.341 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208663412 813786561 /nfs/dbraw/zinc/78/65/61/813786561.db2.gz KFXXGIGKPGSFTI-OAGGEKHMSA-N 2 1 266.473 3.332 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208663412 813786567 /nfs/dbraw/zinc/78/65/67/813786567.db2.gz KFXXGIGKPGSFTI-OAGGEKHMSA-N 2 1 266.473 3.332 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208663412 813786576 /nfs/dbraw/zinc/78/65/76/813786576.db2.gz KFXXGIGKPGSFTI-OAGGEKHMSA-N 2 1 266.473 3.332 20 0 CGADMP CC[N@H+]1CCc2cc(-c3cccc(OCC[NH3+])c3)ccc2C1 ZINC001244321911 803301733 /nfs/dbraw/zinc/30/17/33/803301733.db2.gz JPOJUXSUDYJAKM-UHFFFAOYSA-N 2 1 296.414 3.069 20 0 CGADMP CN(C)c1cc[nH+]c(-c2cccc(C[NH+](C)C)c2F)c1 ZINC001244865156 803555856 /nfs/dbraw/zinc/55/58/56/803555856.db2.gz VVNPFXXEXPCCIF-UHFFFAOYSA-N 2 1 273.355 3.015 20 0 CGADMP [NH3+]Cc1cnccc1-c1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001245559855 803813137 /nfs/dbraw/zinc/81/31/37/803813137.db2.gz GMMXBSFEMGGTKS-UHFFFAOYSA-N 2 1 274.327 3.237 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)s1 ZINC001138529544 803961511 /nfs/dbraw/zinc/96/15/11/803961511.db2.gz UGNJKAXZCYUTCP-KBPBESRZSA-N 2 1 278.465 3.084 20 0 CGADMP COC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138544756 803964152 /nfs/dbraw/zinc/96/41/52/803964152.db2.gz OHXWBICITZKUJA-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP COC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138544756 803964159 /nfs/dbraw/zinc/96/41/59/803964159.db2.gz OHXWBICITZKUJA-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC001138547506 803964522 /nfs/dbraw/zinc/96/45/22/803964522.db2.gz NJILNECEUXTPJI-MRXNPFEDSA-N 2 1 287.382 3.362 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1 ZINC001138547506 803964528 /nfs/dbraw/zinc/96/45/28/803964528.db2.gz NJILNECEUXTPJI-MRXNPFEDSA-N 2 1 287.382 3.362 20 0 CGADMP C[NH2+]CCN[C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246071897 804110715 /nfs/dbraw/zinc/11/07/15/804110715.db2.gz CRANLLVMMBTNFO-MRXNPFEDSA-N 2 1 282.431 3.406 20 0 CGADMP C[NH2+]CC[NH2+][C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246071897 804110720 /nfs/dbraw/zinc/11/07/20/804110720.db2.gz CRANLLVMMBTNFO-MRXNPFEDSA-N 2 1 282.431 3.406 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246074430 804112387 /nfs/dbraw/zinc/11/23/87/804112387.db2.gz DTCQYIRQWFTLQG-FZMZJTMJSA-N 2 1 264.800 3.059 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246075511 804114289 /nfs/dbraw/zinc/11/42/89/804114289.db2.gz UWVVOXFCGMNRBD-JKSUJKDBSA-N 2 1 282.378 3.365 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246089119 804121812 /nfs/dbraw/zinc/12/18/12/804121812.db2.gz BTPMWTFOMPINRJ-TZMCWYRMSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246099514 804131922 /nfs/dbraw/zinc/13/19/22/804131922.db2.gz UWMSTLWXJYOBSX-ZBFHGGJFSA-N 2 1 264.457 3.467 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC001246103511 804137334 /nfs/dbraw/zinc/13/73/34/804137334.db2.gz WBMXKCYCIQQZAV-XSCHDIRWSA-N 2 1 252.446 3.179 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC001246109683 804141788 /nfs/dbraw/zinc/14/17/88/804141788.db2.gz YRQKLTFIRGAVSP-VHSXEESVSA-N 2 1 258.768 3.128 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113356 804144957 /nfs/dbraw/zinc/14/49/57/804144957.db2.gz NYSSLOQTPBDXNC-GJZGRUSLSA-N 2 1 258.425 3.273 20 0 CGADMP CCCCCC[C@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246115667 804148374 /nfs/dbraw/zinc/14/83/74/804148374.db2.gz RYKJVGKWYSEIQN-GJZGRUSLSA-N 2 1 258.425 3.417 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3cccc(C)c23)CC1 ZINC001139197711 804158529 /nfs/dbraw/zinc/15/85/29/804158529.db2.gz WUFSEVWGWABJPS-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3cccc(C)c23)CC1 ZINC001139197711 804158532 /nfs/dbraw/zinc/15/85/32/804158532.db2.gz WUFSEVWGWABJPS-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1cccc2[nH]cc(C[NH+]3CCC([NH+]4CCC4)CC3)c21 ZINC001139198148 804159343 /nfs/dbraw/zinc/15/93/43/804159343.db2.gz IFDSCCOQCHFFIG-UHFFFAOYSA-N 2 1 283.419 3.146 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139338766 804175007 /nfs/dbraw/zinc/17/50/07/804175007.db2.gz HVMHCXDMQYHVRG-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139338766 804175013 /nfs/dbraw/zinc/17/50/13/804175013.db2.gz HVMHCXDMQYHVRG-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)C[NH2+]1 ZINC001246170703 804185967 /nfs/dbraw/zinc/18/59/67/804185967.db2.gz IZZUHSQEPBDQEG-VXGQWTEUSA-N 2 1 252.446 3.321 20 0 CGADMP c1ccc(OC2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246174662 804189756 /nfs/dbraw/zinc/18/97/56/804189756.db2.gz CLBFTNCZKPXTHQ-UPTPFMHGSA-N 2 1 288.435 3.108 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246178529 804192051 /nfs/dbraw/zinc/19/20/51/804192051.db2.gz OXEYFNAGVSERCR-ROUUACIJSA-N 2 1 292.442 3.325 20 0 CGADMP CCCC[N@@H+](C)CCCNC1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246185920 804197279 /nfs/dbraw/zinc/19/72/79/804197279.db2.gz WQISWULLKODIIR-HOTGVXAUSA-N 3 1 283.504 3.007 20 0 CGADMP CCCC[N@H+](C)CCC[NH2+]C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246185920 804197284 /nfs/dbraw/zinc/19/72/84/804197284.db2.gz WQISWULLKODIIR-HOTGVXAUSA-N 3 1 283.504 3.007 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246185920 804197288 /nfs/dbraw/zinc/19/72/88/804197288.db2.gz WQISWULLKODIIR-HOTGVXAUSA-N 3 1 283.504 3.007 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246185717 804197421 /nfs/dbraw/zinc/19/74/21/804197421.db2.gz CRVVSWNIMXGXGL-GXFFZTMASA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC001246189106 804198860 /nfs/dbraw/zinc/19/88/60/804198860.db2.gz HKMOWFNCIPDJAY-AAEUAGOBSA-N 2 1 284.856 3.162 20 0 CGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC1([NH3+])CC1 ZINC001246211352 804208153 /nfs/dbraw/zinc/20/81/53/804208153.db2.gz QRRDCYMKQVHQOM-VIFPVBQESA-N 2 1 288.769 3.020 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]CC[NH2+]CCC ZINC001246268667 804247662 /nfs/dbraw/zinc/24/76/62/804247662.db2.gz JFKAYDOFMRAWTN-QGZVFWFLSA-N 2 1 262.441 3.377 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC001246276215 804252919 /nfs/dbraw/zinc/25/29/19/804252919.db2.gz KSDCBGPGGUUNKE-XJKCOSOUSA-N 2 1 264.388 3.397 20 0 CGADMP [NH3+]CC1([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCCC1 ZINC001246285173 804259069 /nfs/dbraw/zinc/25/90/69/804259069.db2.gz FPDTWXGNDJBESC-CVEARBPZSA-N 2 1 258.409 3.184 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246332163 804288478 /nfs/dbraw/zinc/28/84/78/804288478.db2.gz PMTAIHYTPYFEAN-JQHSSLGASA-N 2 1 274.452 3.376 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC001246343583 804295065 /nfs/dbraw/zinc/29/50/65/804295065.db2.gz MXENAGGGIGIXRN-QDMKHBRRSA-N 2 1 278.827 3.411 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246341854 804295167 /nfs/dbraw/zinc/29/51/67/804295167.db2.gz COHSPZLDBZUAOA-YOEHRIQHSA-N 2 1 260.425 3.083 20 0 CGADMP c1ccc2c(c1)NC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246355869 804301289 /nfs/dbraw/zinc/30/12/89/804301289.db2.gz LHGIINMZUONAKU-YOEHRIQHSA-N 2 1 285.435 3.198 20 0 CGADMP CC[C@@H]1CC([NH2+][C@@H]2CNc3ccccc32)C[C@@H](CC)[NH2+]1 ZINC001246357535 804304513 /nfs/dbraw/zinc/30/45/13/804304513.db2.gz VXMYUEHDXUDRFD-PBFPGSCMSA-N 2 1 273.424 3.052 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CCC2)C[C@H](C)[NH2+]1 ZINC001246365473 804305156 /nfs/dbraw/zinc/30/51/56/804305156.db2.gz KQVHMWCDOQUKFQ-BTTYYORXSA-N 2 1 276.399 3.324 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246364892 804306913 /nfs/dbraw/zinc/30/69/13/804306913.db2.gz VCJRHVJOUYLIOJ-DJIMGWMZSA-N 2 1 260.425 3.128 20 0 CGADMP CCc1cc2c(cc1CC)CC([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246377224 804312554 /nfs/dbraw/zinc/31/25/54/804312554.db2.gz FOIAULFBPGXPDG-SCLBCKFNSA-N 2 1 286.463 3.009 20 0 CGADMP c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246403524 804322361 /nfs/dbraw/zinc/32/23/61/804322361.db2.gz GZLSQSJVWYVMPK-IAGOWNOFSA-N 2 1 258.409 3.260 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)CC[NH2+]2)cc1 ZINC001246458330 804341006 /nfs/dbraw/zinc/34/10/06/804341006.db2.gz QDYFFOQDDGQQBJ-NBZXXOOGSA-N 2 1 270.420 3.258 20 0 CGADMP CC1(C)CCC([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC001246480757 804354800 /nfs/dbraw/zinc/35/48/00/804354800.db2.gz FRMWVDUXFAECAU-LBPRGKRZSA-N 2 1 274.399 3.180 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140025912 804355240 /nfs/dbraw/zinc/35/52/40/804355240.db2.gz GDHKJFUVJCISQO-JYJNAYRXSA-N 2 1 285.366 3.113 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[NH2+]1 ZINC001246486590 804355256 /nfs/dbraw/zinc/35/52/56/804355256.db2.gz COUPTIQGVJHWDC-LYRGGWFBSA-N 2 1 294.389 3.318 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)C[C@H](C)[NH2+]1 ZINC001246495820 804360691 /nfs/dbraw/zinc/36/06/91/804360691.db2.gz BFEVORHSZVOAKN-QTFJUKGGSA-N 2 1 294.389 3.461 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246497758 804360766 /nfs/dbraw/zinc/36/07/66/804360766.db2.gz QZWKWCSQDVIPNM-NJAFHUGGSA-N 2 1 274.452 3.376 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246505738 804366300 /nfs/dbraw/zinc/36/63/00/804366300.db2.gz WGGKBIUIRHUMBN-YHUYYLMFSA-N 2 1 252.446 3.323 20 0 CGADMP CC[C@H]1CC([N@@H+](C)Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246518125 804372103 /nfs/dbraw/zinc/37/21/03/804372103.db2.gz DRSGGAYYJIDURC-HOTGVXAUSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246520614 804374852 /nfs/dbraw/zinc/37/48/52/804374852.db2.gz UEHMUVKHSCOSMQ-BPQIPLTHSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@]1([NH3+])CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246530804 804382108 /nfs/dbraw/zinc/38/21/08/804382108.db2.gz OEIIAPSYWCBYLU-ABHNRTSZSA-N 2 1 272.436 3.211 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246536630 804386450 /nfs/dbraw/zinc/38/64/50/804386450.db2.gz VPVCDMPFYUROCO-HZPDHXFCSA-N 2 1 270.461 3.175 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@@H](CC)[NH2+]1 ZINC001246542069 804391868 /nfs/dbraw/zinc/39/18/68/804391868.db2.gz VETACSKWZJWNSX-SRABZTEZSA-N 2 1 292.467 3.129 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@@H](CC)[NH2+]1 ZINC001246542069 804391875 /nfs/dbraw/zinc/39/18/75/804391875.db2.gz VETACSKWZJWNSX-SRABZTEZSA-N 2 1 292.467 3.129 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544898 804392188 /nfs/dbraw/zinc/39/21/88/804392188.db2.gz HVUZOCCBWLEUKJ-QZTJIDSGSA-N 2 1 274.452 3.457 20 0 CGADMP FC1(F)CCCC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246545445 804392397 /nfs/dbraw/zinc/39/23/97/804392397.db2.gz GVPDXEFZVKFVEZ-KBPBESRZSA-N 2 1 272.383 3.030 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC001246545018 804393196 /nfs/dbraw/zinc/39/31/96/804393196.db2.gz GCDZKYZNZFNUSA-ZVZYQTTQSA-N 2 1 272.436 3.382 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C[C@H](C)CC(C)C)C1 ZINC001246550031 804399888 /nfs/dbraw/zinc/39/98/88/804399888.db2.gz LINKLFMMJAGOFA-PMPSAXMXSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246551106 804401195 /nfs/dbraw/zinc/40/11/95/804401195.db2.gz KREDBJWQCDONFB-WMLDXEAASA-N 2 1 294.389 3.025 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246551542 804401426 /nfs/dbraw/zinc/40/14/26/804401426.db2.gz ZSLIUOYJDXWHTL-GOSISDBHSA-N 2 1 284.447 3.275 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552400 804402882 /nfs/dbraw/zinc/40/28/82/804402882.db2.gz OGHCSVNBQHVOAE-XJKSGUPXSA-N 2 1 280.843 3.474 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001246554096 804404219 /nfs/dbraw/zinc/40/42/19/804404219.db2.gz YROGDPXQWJVFPD-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001246554096 804404223 /nfs/dbraw/zinc/40/42/23/804404223.db2.gz YROGDPXQWJVFPD-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246560584 804409162 /nfs/dbraw/zinc/40/91/62/804409162.db2.gz HQWGNWZWUQLOLD-KCXAZCMYSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@@H]1CCCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246560309 804409673 /nfs/dbraw/zinc/40/96/73/804409673.db2.gz QMRDPJLGEJJMEF-QQFBHYJXSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246561801 804410030 /nfs/dbraw/zinc/41/00/30/804410030.db2.gz GIDAEVJDSWWZAQ-DJIMGWMZSA-N 2 1 260.425 3.067 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC(C(F)(F)F)CC2)CC[C@@H]1C[NH3+] ZINC001246561482 804410103 /nfs/dbraw/zinc/41/01/03/804410103.db2.gz TWGNKDJBOIAALO-MRFVTOPCSA-N 2 1 292.389 3.414 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246560619 804410633 /nfs/dbraw/zinc/41/06/33/804410633.db2.gz QTVFCCZEMPJDPR-PMPSAXMXSA-N 2 1 252.446 3.428 20 0 CGADMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246564952 804414018 /nfs/dbraw/zinc/41/40/18/804414018.db2.gz XUTLKZMDPBWBSW-AEFFLSMTSA-N 2 1 294.483 3.055 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246568088 804415131 /nfs/dbraw/zinc/41/51/31/804415131.db2.gz PUWIADWEFOJGSY-XQLPTFJDSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1C ZINC001246568790 804416963 /nfs/dbraw/zinc/41/69/63/804416963.db2.gz BHOBLQGBAAAHEM-XNIRIUNOSA-N 2 1 264.457 3.277 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1(C)C ZINC001246573054 804420228 /nfs/dbraw/zinc/42/02/28/804420228.db2.gz FCQHARTVIOEUGD-GOSISDBHSA-N 3 1 295.515 3.089 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001246574278 804421084 /nfs/dbraw/zinc/42/10/84/804421084.db2.gz UDGCUVLZWNXXEU-HUUCEWRRSA-N 2 1 278.465 3.017 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001246574278 804421088 /nfs/dbraw/zinc/42/10/88/804421088.db2.gz UDGCUVLZWNXXEU-HUUCEWRRSA-N 2 1 278.465 3.017 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246573994 804421102 /nfs/dbraw/zinc/42/11/02/804421102.db2.gz HHGHMZLYPWCYCY-YOEHRIQHSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001246575880 804422050 /nfs/dbraw/zinc/42/20/50/804422050.db2.gz LKAQYYUVTOFAJK-MSOLQXFVSA-N 2 1 290.426 3.134 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246582347 804426222 /nfs/dbraw/zinc/42/62/22/804426222.db2.gz GOCGMBCPWAFYHA-ZQDZILKHSA-N 2 1 258.425 3.353 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246582347 804426226 /nfs/dbraw/zinc/42/62/26/804426226.db2.gz GOCGMBCPWAFYHA-ZQDZILKHSA-N 2 1 258.425 3.353 20 0 CGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246587240 804429562 /nfs/dbraw/zinc/42/95/62/804429562.db2.gz WJLBDHMKQYAMPJ-CRAIPNDOSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246588433 804431053 /nfs/dbraw/zinc/43/10/53/804431053.db2.gz ZFTWZPNZFASABZ-WMLDXEAASA-N 2 1 278.415 3.208 20 0 CGADMP CC(C)[N@@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246593353 804435328 /nfs/dbraw/zinc/43/53/28/804435328.db2.gz MLIWREJFNAXJOE-JONQDZQNSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246597563 804437528 /nfs/dbraw/zinc/43/75/28/804437528.db2.gz XMQMCJGZYDWXLZ-KGLIPLIRSA-N 2 1 296.455 3.367 20 0 CGADMP CC(C)[N@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597242 804437688 /nfs/dbraw/zinc/43/76/88/804437688.db2.gz WWJJIJCNBKGKNX-IKGGRYGDSA-N 3 1 295.515 3.006 20 0 CGADMP CC(C)[N@@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597242 804437690 /nfs/dbraw/zinc/43/76/90/804437690.db2.gz WWJJIJCNBKGKNX-IKGGRYGDSA-N 3 1 295.515 3.006 20 0 CGADMP CCC(CC)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246600021 804438882 /nfs/dbraw/zinc/43/88/82/804438882.db2.gz CRGLWEOZRKBVRF-MRXNPFEDSA-N 2 1 252.446 3.421 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246600244 804438912 /nfs/dbraw/zinc/43/89/12/804438912.db2.gz DOZUUJQCTYWJLC-APWZRJJASA-N 2 1 286.463 3.256 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246603780 804440499 /nfs/dbraw/zinc/44/04/99/804440499.db2.gz MNZFWDZIZQJORZ-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CC[NH2+]3)C2)CC(C)(C)C1 ZINC001246613854 804448811 /nfs/dbraw/zinc/44/88/11/804448811.db2.gz RAXNEDXHNBOYIY-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246615001 804448901 /nfs/dbraw/zinc/44/89/01/804448901.db2.gz QQFWRRDSJYHEOE-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246615459 804449781 /nfs/dbraw/zinc/44/97/81/804449781.db2.gz WDWSVZBFDUZVQC-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246615459 804449783 /nfs/dbraw/zinc/44/97/83/804449783.db2.gz WDWSVZBFDUZVQC-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246623660 804454999 /nfs/dbraw/zinc/45/49/99/804454999.db2.gz BGMVRDREMAIDCI-WMLDXEAASA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246623660 804455004 /nfs/dbraw/zinc/45/50/04/804455004.db2.gz BGMVRDREMAIDCI-WMLDXEAASA-N 2 1 292.854 3.347 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246624291 804456588 /nfs/dbraw/zinc/45/65/88/804456588.db2.gz DBFPXLWRPCFXSI-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246624771 804457463 /nfs/dbraw/zinc/45/74/63/804457463.db2.gz RZAXRWPDYUKERE-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246624771 804457464 /nfs/dbraw/zinc/45/74/64/804457464.db2.gz RZAXRWPDYUKERE-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246628117 804458509 /nfs/dbraw/zinc/45/85/09/804458509.db2.gz APHZRRYPKHVBKV-SOAGJPPSSA-N 2 1 298.474 3.473 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246628363 804458531 /nfs/dbraw/zinc/45/85/31/804458531.db2.gz XKWDVTJPIYAFAR-LVQVYYBASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CC([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H](C)C1 ZINC001246626895 804459003 /nfs/dbraw/zinc/45/90/03/804459003.db2.gz VIUCJRHQFSAOPF-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246630353 804460397 /nfs/dbraw/zinc/46/03/97/804460397.db2.gz JFFDUJARWXNGPG-UHFFFAOYSA-N 2 1 296.458 3.109 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246630586 804460815 /nfs/dbraw/zinc/46/08/15/804460815.db2.gz PKEDQYOJKUFTOR-JCYILVPMSA-N 2 1 264.457 3.277 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246630548 804461044 /nfs/dbraw/zinc/46/10/44/804461044.db2.gz PHCAGPNWJWHYBQ-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629235 804461169 /nfs/dbraw/zinc/46/11/69/804461169.db2.gz YGYYBACHQSQONF-XUWVNRHRSA-N 2 1 252.446 3.131 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCC[N@H+](C1CCCCCCC1)C2 ZINC001246629484 804461442 /nfs/dbraw/zinc/46/14/42/804461442.db2.gz NQYDIXCUATZXKZ-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633377 804463581 /nfs/dbraw/zinc/46/35/81/804463581.db2.gz DHGHFTPHPPLPAL-ZWKOTPCHSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633377 804463583 /nfs/dbraw/zinc/46/35/83/804463583.db2.gz DHGHFTPHPPLPAL-ZWKOTPCHSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246634054 804463662 /nfs/dbraw/zinc/46/36/62/804463662.db2.gz ZMDVBLJDOWHDEV-FOIPXRHGSA-N 2 1 270.420 3.149 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634746 804463968 /nfs/dbraw/zinc/46/39/68/804463968.db2.gz ORKKLTSVDLQBGP-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246634891 804466015 /nfs/dbraw/zinc/46/60/15/804466015.db2.gz PKYMHVCGMKBNDJ-PMPSAXMXSA-N 2 1 250.430 3.173 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246641281 804469350 /nfs/dbraw/zinc/46/93/50/804469350.db2.gz CUBFZWFBOONEND-ZFWWWQNUSA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246642997 804470169 /nfs/dbraw/zinc/47/01/69/804470169.db2.gz LDOLQKUHSMNAOS-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246643360 804470389 /nfs/dbraw/zinc/47/03/89/804470389.db2.gz GBCOPNTUEGQIAI-XJKSGUPXSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc2c(c1)CCC([N@@H+]1CCCC[C@@]13CC[NH2+]C3)CC2 ZINC001246645043 804472005 /nfs/dbraw/zinc/47/20/05/804472005.db2.gz AGCQYJINMUOFGS-IBGZPJMESA-N 2 1 284.447 3.152 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246644631 804472043 /nfs/dbraw/zinc/47/20/43/804472043.db2.gz IKFUWRYSLBOQIY-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246644594 804472523 /nfs/dbraw/zinc/47/25/23/804472523.db2.gz RLFRHRXXGMOQQI-QFBILLFUSA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246644594 804472525 /nfs/dbraw/zinc/47/25/25/804472525.db2.gz RLFRHRXXGMOQQI-QFBILLFUSA-N 2 1 286.463 3.398 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)CC2)cc1 ZINC001246649816 804476998 /nfs/dbraw/zinc/47/69/98/804476998.db2.gz FOVVHXOKABVFLY-VLOYRQLPSA-N 2 1 284.447 3.082 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246650987 804479105 /nfs/dbraw/zinc/47/91/05/804479105.db2.gz VKAPFRGWCMYAQE-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP C1C[C@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@H]2C1 ZINC001246653433 804479939 /nfs/dbraw/zinc/47/99/39/804479939.db2.gz DUQZHAQXVHDBLQ-NJINODPHSA-N 2 1 262.441 3.031 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC001246654372 804480241 /nfs/dbraw/zinc/48/02/41/804480241.db2.gz CSUMPINWZDGZIY-LISQQWEMSA-N 2 1 250.430 3.014 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246657847 804481978 /nfs/dbraw/zinc/48/19/78/804481978.db2.gz JSFPHARSQYFWBL-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246657847 804481981 /nfs/dbraw/zinc/48/19/81/804481981.db2.gz JSFPHARSQYFWBL-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246657418 804482243 /nfs/dbraw/zinc/48/22/43/804482243.db2.gz IALRQPQCXFVYMM-AXAPSJFSSA-N 2 1 296.817 3.094 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246657418 804482244 /nfs/dbraw/zinc/48/22/44/804482244.db2.gz IALRQPQCXFVYMM-AXAPSJFSSA-N 2 1 296.817 3.094 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660611 804483545 /nfs/dbraw/zinc/48/35/45/804483545.db2.gz WBSONXITKFAQBM-QRVBRYPASA-N 2 1 286.463 3.472 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661901 804484883 /nfs/dbraw/zinc/48/48/83/804484883.db2.gz HGSAYHXPIBAQMZ-FGTMMUONSA-N 2 1 272.436 3.211 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246661855 804484967 /nfs/dbraw/zinc/48/49/67/804484967.db2.gz MHCDJAXJQGHOFL-FZKCQIBNSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246661727 804485236 /nfs/dbraw/zinc/48/52/36/804485236.db2.gz GLAJBEGNMWIICI-KNCOVGOOSA-N 2 1 250.430 3.014 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC001246662980 804485289 /nfs/dbraw/zinc/48/52/89/804485289.db2.gz WQJXLTMGCZYMBA-DJIMGWMZSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667027 804488465 /nfs/dbraw/zinc/48/84/65/804488465.db2.gz WYQJNTHIAIGYBX-KZNAEPCWSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667027 804488470 /nfs/dbraw/zinc/48/84/70/804488470.db2.gz WYQJNTHIAIGYBX-KZNAEPCWSA-N 2 1 272.436 3.082 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246670704 804489354 /nfs/dbraw/zinc/48/93/54/804489354.db2.gz FCQURSDURZPBHG-USXIJHARSA-N 2 1 258.409 3.007 20 0 CGADMP CCC[C@@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246677496 804491967 /nfs/dbraw/zinc/49/19/67/804491967.db2.gz VIRIUOCQIDOVAF-KBAYOESNSA-N 2 1 272.436 3.397 20 0 CGADMP C1[C@@H]2C[NH2+]CC[C@@H]2[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246678738 804493112 /nfs/dbraw/zinc/49/31/12/804493112.db2.gz YLRAJXKEDHBTAP-JYJNAYRXSA-N 2 1 262.441 3.173 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001246690402 804497648 /nfs/dbraw/zinc/49/76/48/804497648.db2.gz KLEPRGPRGAVYRH-SJJHQCBESA-N 2 1 282.447 3.225 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246693764 804499389 /nfs/dbraw/zinc/49/93/89/804499389.db2.gz QPRMWSDZFBMRNW-IAGOWNOFSA-N 2 1 284.463 3.471 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246770280 804502422 /nfs/dbraw/zinc/50/24/22/804502422.db2.gz PKIRBXQFJBLYER-HUUCEWRRSA-N 2 1 266.816 3.302 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246774479 804505109 /nfs/dbraw/zinc/50/51/09/804505109.db2.gz GERVQQHWHAZRJZ-GUDVDZBRSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@H+](Cc1cccs1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246783597 804509701 /nfs/dbraw/zinc/50/97/01/804509701.db2.gz PKMXXNMYKPPJNL-JSGCOSHPSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](Cc1cccs1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246783597 804509707 /nfs/dbraw/zinc/50/97/07/804509707.db2.gz PKMXXNMYKPPJNL-JSGCOSHPSA-N 2 1 266.454 3.347 20 0 CGADMP COCC[C@H]1CCCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246785754 804512117 /nfs/dbraw/zinc/51/21/17/804512117.db2.gz MONOLNUDDWZCSU-WWDZGPRUSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cnc3cc[nH]cc2-3)C[C@H]1C ZINC001140801046 804520766 /nfs/dbraw/zinc/52/07/66/804520766.db2.gz AICPUQAQPWHDLW-QWHCGFSZSA-N 2 1 257.381 3.431 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cnc3cc[nH]cc2-3)C[C@H]1C ZINC001140801046 804520769 /nfs/dbraw/zinc/52/07/69/804520769.db2.gz AICPUQAQPWHDLW-QWHCGFSZSA-N 2 1 257.381 3.431 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+](C)CCC1CC[NH2+]CC1)CC2 ZINC001246800199 804520807 /nfs/dbraw/zinc/52/08/07/804520807.db2.gz WJTIFJAFEBKKNO-IBGZPJMESA-N 2 1 286.463 3.174 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001246799288 804520827 /nfs/dbraw/zinc/52/08/27/804520827.db2.gz XRIBJQOISQRVES-CYBMUJFWSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246803489 804522919 /nfs/dbraw/zinc/52/29/19/804522919.db2.gz KZGQQULDRWWSCQ-HUUCEWRRSA-N 2 1 250.430 3.316 20 0 CGADMP CC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246807645 804524781 /nfs/dbraw/zinc/52/47/81/804524781.db2.gz OOIXWJXLQKQDLK-KSZLIROESA-N 2 1 272.436 3.224 20 0 CGADMP Clc1ccccc1[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246810080 804526331 /nfs/dbraw/zinc/52/63/31/804526331.db2.gz MFHLUKSATPYNOB-RDGKXADDSA-N 2 1 290.838 3.412 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3ccsc3C2)C[C@H](CC)[NH2+]1 ZINC001246809618 804527582 /nfs/dbraw/zinc/52/75/82/804527582.db2.gz XMMRHGBPPKMSPU-FICVDOATSA-N 2 1 278.465 3.415 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246815024 804531470 /nfs/dbraw/zinc/53/14/70/804531470.db2.gz UHPQMURGYDTHNO-GOSISDBHSA-N 2 1 286.463 3.392 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246814876 804532365 /nfs/dbraw/zinc/53/23/65/804532365.db2.gz SYQSHKCEPFXFIX-BJWYYQGGSA-N 2 1 292.854 3.487 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC001246819881 804533720 /nfs/dbraw/zinc/53/37/20/804533720.db2.gz KVWKHOKWMFQVOF-XUWVNRHRSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC001246819881 804533724 /nfs/dbraw/zinc/53/37/24/804533724.db2.gz KVWKHOKWMFQVOF-XUWVNRHRSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@H](c3cccc(F)c3)C2)C[C@@H](C)[NH2+]1 ZINC001246831219 804540356 /nfs/dbraw/zinc/54/03/56/804540356.db2.gz BZPDRBRYJRBKGW-NFAWXSAZSA-N 2 1 276.399 3.144 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840132 804548251 /nfs/dbraw/zinc/54/82/51/804548251.db2.gz FFXIPCCFCYYSGH-GVRJEKJASA-N 2 1 252.446 3.260 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839233 804548558 /nfs/dbraw/zinc/54/85/58/804548558.db2.gz CBKRWDZJQLVCKE-LSSIXWDNSA-N 2 1 296.817 3.079 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839233 804548560 /nfs/dbraw/zinc/54/85/60/804548560.db2.gz CBKRWDZJQLVCKE-LSSIXWDNSA-N 2 1 296.817 3.079 20 0 CGADMP C[N@@H+](C[C@H]1CC1(C)C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246843214 804552728 /nfs/dbraw/zinc/55/27/28/804552728.db2.gz BJJBEWWXKZLXJI-HPUBIQBYSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246844983 804554807 /nfs/dbraw/zinc/55/48/07/804554807.db2.gz JVYSZHFRARTTPG-QQFBHYJXSA-N 2 1 250.430 3.173 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246847159 804556324 /nfs/dbraw/zinc/55/63/24/804556324.db2.gz QDKGFHLUCJPHBL-KAXARAQCSA-N 2 1 298.474 3.329 20 0 CGADMP C1[NH2+]CC12CC[C@H]([N@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001246847199 804556776 /nfs/dbraw/zinc/55/67/76/804556776.db2.gz JMFRTSTWOFASLO-HOTGVXAUSA-N 2 1 262.441 3.031 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](CC)C2)cc1 ZINC001246848122 804557402 /nfs/dbraw/zinc/55/74/02/804557402.db2.gz WEPKBAQFFAKALY-IRXDYDNUSA-N 2 1 260.425 3.211 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC2(C)C)CC[NH2+]1 ZINC001246847561 804557490 /nfs/dbraw/zinc/55/74/90/804557490.db2.gz UJKYPQYKQVTHTO-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1C[C@H]3CC[NH2+]C[C@H]3C1)CC2 ZINC001246847714 804558233 /nfs/dbraw/zinc/55/82/33/804558233.db2.gz RTTHYGFVFOEHRM-CABCVRRESA-N 2 1 262.441 3.031 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246847722 804558328 /nfs/dbraw/zinc/55/83/28/804558328.db2.gz LYFHFCNPCQJERS-QZTJIDSGSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246848795 804558392 /nfs/dbraw/zinc/55/83/92/804558392.db2.gz ODZUUZVJVCAQAQ-ZIAGYGMSSA-N 2 1 296.455 3.238 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849576 804559532 /nfs/dbraw/zinc/55/95/32/804559532.db2.gz GHGQDLQAXLQELA-ZBFHGGJFSA-N 2 1 278.827 3.271 20 0 CGADMP Clc1ccc([C@@H]2CC[N@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849576 804559538 /nfs/dbraw/zinc/55/95/38/804559538.db2.gz GHGQDLQAXLQELA-ZBFHGGJFSA-N 2 1 278.827 3.271 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccccc2)CC[NH2+]1 ZINC001246849201 804560363 /nfs/dbraw/zinc/56/03/63/804560363.db2.gz ZPHDVNDCWMCHCX-INHTXZAOSA-N 2 1 272.436 3.408 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001246861814 804565211 /nfs/dbraw/zinc/56/52/11/804565211.db2.gz DZCBRVCGCOELFK-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246863725 804567612 /nfs/dbraw/zinc/56/76/12/804567612.db2.gz YYIGANIJETZBRR-INMHGKMJSA-N 2 1 298.434 3.047 20 0 CGADMP CC1(C)C[N@H+](C2CCC3(C[NH2+]C3)CC2)Cc2ccccc21 ZINC001246869466 804571203 /nfs/dbraw/zinc/57/12/03/804571203.db2.gz HELIKRDENSZDME-UHFFFAOYSA-N 2 1 284.447 3.312 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870612 804572196 /nfs/dbraw/zinc/57/21/96/804572196.db2.gz YSZHKJCBGWPHOY-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870612 804572199 /nfs/dbraw/zinc/57/21/99/804572199.db2.gz YSZHKJCBGWPHOY-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C2)cc1 ZINC001246868314 804572230 /nfs/dbraw/zinc/57/22/30/804572230.db2.gz RWUHOTAUGVTINK-RANZSIQMSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C2)cc1 ZINC001246868314 804572231 /nfs/dbraw/zinc/57/22/31/804572231.db2.gz RWUHOTAUGVTINK-RANZSIQMSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H]1C ZINC001246871177 804573692 /nfs/dbraw/zinc/57/36/92/804573692.db2.gz CUEZWSOODUKNAT-ZJXIFLPPSA-N 2 1 298.474 3.284 20 0 CGADMP C1C[C@@H]2CCC[C@H]1[N@H+]2C1CCC2(CCC[NH2+]C2)CC1 ZINC001246877303 804574271 /nfs/dbraw/zinc/57/42/71/804574271.db2.gz BSOMWDRIPHJRPY-RYTJFDOTSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]1 ZINC001246875068 804574359 /nfs/dbraw/zinc/57/43/59/804574359.db2.gz MBANTTAQUSJAGS-ABAIWWIYSA-N 2 1 298.352 3.204 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]1 ZINC001246875068 804574364 /nfs/dbraw/zinc/57/43/64/804574364.db2.gz MBANTTAQUSJAGS-ABAIWWIYSA-N 2 1 298.352 3.204 20 0 CGADMP CC[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246876672 804574823 /nfs/dbraw/zinc/57/48/23/804574823.db2.gz HIYGGMQNRJHIPI-AITUJVMLSA-N 2 1 284.447 3.038 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246875231 804575506 /nfs/dbraw/zinc/57/55/06/804575506.db2.gz ZIYLBHCWBUOFNS-ROUUACIJSA-N 2 1 295.515 3.233 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246877762 804576964 /nfs/dbraw/zinc/57/69/64/804576964.db2.gz GHKSUWGPPJWVME-FUHWJXTLSA-N 2 1 290.451 3.294 20 0 CGADMP CCC[N@@H+]([C@@H]1Cc2cccc(Cl)c2C1)C1CC[NH2+]CC1 ZINC001246893617 804585267 /nfs/dbraw/zinc/58/52/67/804585267.db2.gz LDDNURNBRRHCFK-OAHLLOKOSA-N 2 1 292.854 3.271 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001246898124 804586399 /nfs/dbraw/zinc/58/63/99/804586399.db2.gz AFWHYNKYXBASHJ-SUMWQHHRSA-N 2 1 271.408 3.303 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246901947 804588676 /nfs/dbraw/zinc/58/86/76/804588676.db2.gz PSTLRVAEWOPFTR-QGZVFWFLSA-N 2 1 269.392 3.057 20 0 CGADMP C[N@@H+]([C@H]1CCc2cc(Cl)ccc2C1)C1(C)CC[NH2+]CC1 ZINC001246912312 804594775 /nfs/dbraw/zinc/59/47/75/804594775.db2.gz ROMIBVORIVPTSC-INIZCTEOSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246914653 804596529 /nfs/dbraw/zinc/59/65/29/804596529.db2.gz ZOUMIGMAFNETJE-IRXDYDNUSA-N 2 1 292.442 3.467 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246923364 804602362 /nfs/dbraw/zinc/60/23/62/804602362.db2.gz WNBGUHNUSOWRPV-NRXISQOPSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC(C)(C)C1 ZINC001246929846 804605934 /nfs/dbraw/zinc/60/59/34/804605934.db2.gz HBOZZYOODQMNSB-JONQDZQNSA-N 2 1 264.457 3.133 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC2(CCCC2)CC1 ZINC001246934357 804606851 /nfs/dbraw/zinc/60/68/51/804606851.db2.gz CMAULVMJOJMOTK-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246938853 804611088 /nfs/dbraw/zinc/61/10/88/804611088.db2.gz OFLFOGTXLCHPAP-XHSDSOJGSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246963322 804619228 /nfs/dbraw/zinc/61/92/28/804619228.db2.gz ABBKYROKPFMFKX-ROUUACIJSA-N 2 1 274.452 3.315 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC001246968892 804620916 /nfs/dbraw/zinc/62/09/16/804620916.db2.gz RGWMCDXYSOLQPH-IZZQQSIFSA-N 2 1 284.447 3.266 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCC(C)(C)C1 ZINC001246975808 804623553 /nfs/dbraw/zinc/62/35/53/804623553.db2.gz PGADJOCMNRNZCS-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CCC(CC)[N@@H+](C)Cc1cccc(-n2ccnc2)c1 ZINC001141244722 804624230 /nfs/dbraw/zinc/62/42/30/804624230.db2.gz SPOWXPGWVJVBQG-UHFFFAOYSA-N 2 1 257.381 3.493 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)C[C@H]1C ZINC001246977956 804625237 /nfs/dbraw/zinc/62/52/37/804625237.db2.gz RVFYSBDTWNFKRU-CPUCHLNUSA-N 2 1 264.457 3.418 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]12 ZINC001246978213 804626009 /nfs/dbraw/zinc/62/60/09/804626009.db2.gz VEYIZLATLZMTNE-UJWQCDCRSA-N 2 1 284.447 3.382 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC001247004672 804636099 /nfs/dbraw/zinc/63/60/99/804636099.db2.gz SQGXCDGFJMFEKJ-NEPJUHHUSA-N 2 1 299.256 3.440 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247017091 804644543 /nfs/dbraw/zinc/64/45/43/804644543.db2.gz ZMHVCNKCSKATNR-KMFMINBZSA-N 2 1 292.854 3.345 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247016386 804644688 /nfs/dbraw/zinc/64/46/88/804644688.db2.gz UPCFOHQFQYXCQD-PKOBYXMFSA-N 2 1 284.447 3.008 20 0 CGADMP C[C@@H]1CC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001257078919 807044813 /nfs/dbraw/zinc/04/48/13/807044813.db2.gz AZUCZRQWCZGUNO-IXYNUQLISA-N 2 1 280.456 3.067 20 0 CGADMP Cc1cc(Nc2cc[nH+]c(C(C)(C)C)c2)c[nH+]c1N ZINC001249784822 805244180 /nfs/dbraw/zinc/24/41/80/805244180.db2.gz MATXDZBFGSYGPI-UHFFFAOYSA-N 2 1 256.353 3.408 20 0 CGADMP c1ccc(C[N@@H+]2CC=C(CC[NH+]3CCCC3)CC2)cc1 ZINC001250164340 805453629 /nfs/dbraw/zinc/45/36/29/805453629.db2.gz PFKKWUVWUJOMOR-UHFFFAOYSA-N 2 1 270.420 3.305 20 0 CGADMP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001154986814 805518609 /nfs/dbraw/zinc/51/86/09/805518609.db2.gz UMSTUQWAVGWJFN-QWHCGFSZSA-N 2 1 299.422 3.228 20 0 CGADMP CC(C)c1ccc(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]c1 ZINC001155023960 805525217 /nfs/dbraw/zinc/52/52/17/805525217.db2.gz GJCSNHVYYIGVKF-DZGCQCFKSA-N 2 1 261.413 3.253 20 0 CGADMP F[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895837 806999733 /nfs/dbraw/zinc/99/97/33/806999733.db2.gz YSGYWXPBZVROMA-KFWWJZLASA-N 2 1 268.420 3.121 20 0 CGADMP F[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895837 806999735 /nfs/dbraw/zinc/99/97/35/806999735.db2.gz YSGYWXPBZVROMA-KFWWJZLASA-N 2 1 268.420 3.121 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C)[C@@H](C)C2)CC1 ZINC001257214617 807061573 /nfs/dbraw/zinc/06/15/73/807061573.db2.gz HWCJPKQHHWKHPW-GJZGRUSLSA-N 2 1 252.446 3.227 20 0 CGADMP CC(C)N1CCC([N@H+]2CCCc3ccccc3C2)CC1 ZINC001257216752 807063829 /nfs/dbraw/zinc/06/38/29/807063829.db2.gz ICCRWLUEAGUSDE-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCCc3ccccc3C2)CC1 ZINC001257216752 807063841 /nfs/dbraw/zinc/06/38/41/807063841.db2.gz ICCRWLUEAGUSDE-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP CCc1cccc(NCC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC001166622860 807071539 /nfs/dbraw/zinc/07/15/39/807071539.db2.gz ITXANIOKAKTIPZ-UHFFFAOYSA-N 2 1 261.413 3.176 20 0 CGADMP CCC(CC)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001257292239 807089370 /nfs/dbraw/zinc/08/93/70/807089370.db2.gz WNWJGCGCCNYJPV-UHFFFAOYSA-N 2 1 264.388 3.264 20 0 CGADMP CCC[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257313589 807102353 /nfs/dbraw/zinc/10/23/53/807102353.db2.gz OGADIPUVLZEDOV-ZOBUZTSGSA-N 2 1 275.440 3.342 20 0 CGADMP CCCCCC1CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001257370480 807129522 /nfs/dbraw/zinc/12/95/22/807129522.db2.gz MQHANANTZZYNJN-HWOWSKLDSA-N 2 1 293.455 3.057 20 0 CGADMP CC[C@@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001257432324 807153860 /nfs/dbraw/zinc/15/38/60/807153860.db2.gz WEKZVDMFIFWKIA-KVAWTWKZSA-N 2 1 292.426 3.361 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001257486473 807180061 /nfs/dbraw/zinc/18/00/61/807180061.db2.gz WIHPVFVRQDSCOM-LUKYLMHMSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001257486473 807180067 /nfs/dbraw/zinc/18/00/67/807180067.db2.gz WIHPVFVRQDSCOM-LUKYLMHMSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001257486473 807180074 /nfs/dbraw/zinc/18/00/74/807180074.db2.gz WIHPVFVRQDSCOM-LUKYLMHMSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001257486567 807180230 /nfs/dbraw/zinc/18/02/30/807180230.db2.gz YAFPLECJSAIJNI-GJZGRUSLSA-N 2 1 263.429 3.346 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001257486567 807180234 /nfs/dbraw/zinc/18/02/34/807180234.db2.gz YAFPLECJSAIJNI-GJZGRUSLSA-N 2 1 263.429 3.346 20 0 CGADMP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]ccc2cc[nH]c21 ZINC001167626296 807218940 /nfs/dbraw/zinc/21/89/40/807218940.db2.gz DIGDREJGCIRCTK-UHFFFAOYSA-N 2 1 272.396 3.048 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C2CCC(OC(C)C)CC2)CC1 ZINC001257885726 807237772 /nfs/dbraw/zinc/23/77/72/807237772.db2.gz SDRLJPJWMZEYGZ-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cccc2c1CC[C@@H]2[NH3+] ZINC001167755012 807243957 /nfs/dbraw/zinc/24/39/57/807243957.db2.gz YMBAXCGKSFQVDM-PBHICJAKSA-N 2 1 287.451 3.309 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001167824718 807255941 /nfs/dbraw/zinc/25/59/41/807255941.db2.gz FVOUQBYEZWXBSC-SJLPKXTDSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001167824745 807256434 /nfs/dbraw/zinc/25/64/34/807256434.db2.gz GESCLSLMHRMPMO-ZIAGYGMSSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cccnc1C ZINC001167840057 807260361 /nfs/dbraw/zinc/26/03/61/807260361.db2.gz DMZBHAMSTIFVBT-HNNXBMFYSA-N 2 1 277.456 3.332 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC001258014633 807266335 /nfs/dbraw/zinc/26/63/35/807266335.db2.gz PFVXBJYPOBZNFO-HUUCEWRRSA-N 2 1 252.446 3.227 20 0 CGADMP C(C1CC1)[N@H+]1CCCC12CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167927796 807276832 /nfs/dbraw/zinc/27/68/32/807276832.db2.gz NTLXQGKHUGMFTQ-FVQHAEBGSA-N 2 1 274.452 3.125 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCC1 ZINC001167959562 807286192 /nfs/dbraw/zinc/28/61/92/807286192.db2.gz QVVNBPQQDIRKMM-ALOPSCKCSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccnc1 ZINC001167958788 807286758 /nfs/dbraw/zinc/28/67/58/807286758.db2.gz KGCDMTMCHSYSFW-TZUVLKIQSA-N 2 1 285.435 3.138 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccnc1 ZINC001167958788 807286761 /nfs/dbraw/zinc/28/67/61/807286761.db2.gz KGCDMTMCHSYSFW-TZUVLKIQSA-N 2 1 285.435 3.138 20 0 CGADMP C[C@@]1(F)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1F ZINC001167985134 807290047 /nfs/dbraw/zinc/29/00/47/807290047.db2.gz VYWKCUFJWXWGDV-PFUJJPPESA-N 2 1 298.421 3.164 20 0 CGADMP C[NH2+]Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167991423 807292173 /nfs/dbraw/zinc/29/21/73/807292173.db2.gz AOTWMPCYKSKCGQ-YQQQUEKLSA-N 2 1 299.462 3.223 20 0 CGADMP FC(F)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995141 807294878 /nfs/dbraw/zinc/29/48/78/807294878.db2.gz XOVOGVDZXDDYKJ-XYPWUTKMSA-N 2 1 298.421 3.369 20 0 CGADMP C[N@@H+](C[C@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994538 807295507 /nfs/dbraw/zinc/29/55/07/807295507.db2.gz IACKLEMWTLZYSL-VPSFDDGASA-N 2 1 276.468 3.370 20 0 CGADMP C[NH+](C[C@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994538 807295513 /nfs/dbraw/zinc/29/55/13/807295513.db2.gz IACKLEMWTLZYSL-VPSFDDGASA-N 2 1 276.468 3.370 20 0 CGADMP C[NH+](C[C@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994538 807295518 /nfs/dbraw/zinc/29/55/18/807295518.db2.gz IACKLEMWTLZYSL-VPSFDDGASA-N 2 1 276.468 3.370 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001168188931 807340955 /nfs/dbraw/zinc/34/09/55/807340955.db2.gz PRKQLIQMXSVJGD-FRFSOERESA-N 2 1 292.854 3.155 20 0 CGADMP CC(C)[N@@H+]([C@H](C)Cc1ccco1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258182529 807346958 /nfs/dbraw/zinc/34/69/58/807346958.db2.gz QYNFINXSJHVMMU-RBSFLKMASA-N 2 1 264.413 3.191 20 0 CGADMP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001258185141 807349264 /nfs/dbraw/zinc/34/92/64/807349264.db2.gz LJVOSRUXWNTEJQ-CABCVRRESA-N 2 1 264.413 3.052 20 0 CGADMP CC[N@@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168314272 807381025 /nfs/dbraw/zinc/38/10/25/807381025.db2.gz AQJFYDGENYPOEH-UHFFFAOYSA-N 2 1 260.425 3.381 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001168316577 807382916 /nfs/dbraw/zinc/38/29/16/807382916.db2.gz ZSNYVBKQHSMNQJ-UHFFFAOYSA-N 2 1 264.388 3.130 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCCCCCC3)C[C@@H]2C1 ZINC001258244076 807386136 /nfs/dbraw/zinc/38/61/36/807386136.db2.gz MXGPKFBYLWLQAW-IYBDPMFKSA-N 2 1 264.457 3.373 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCCCCCC3)C[C@@H]2C1 ZINC001258244076 807386145 /nfs/dbraw/zinc/38/61/45/807386145.db2.gz MXGPKFBYLWLQAW-IYBDPMFKSA-N 2 1 264.457 3.373 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCCCCCC3)C[C@@H]2C1 ZINC001258244076 807386152 /nfs/dbraw/zinc/38/61/52/807386152.db2.gz MXGPKFBYLWLQAW-IYBDPMFKSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001168328206 807386550 /nfs/dbraw/zinc/38/65/50/807386550.db2.gz ZMNAOWGIZOQHFD-UHFFFAOYSA-N 2 1 282.447 3.463 20 0 CGADMP C[N@@H+](CC1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168387573 807399642 /nfs/dbraw/zinc/39/96/42/807399642.db2.gz LEHXESSZMUEFKA-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001258303600 807404686 /nfs/dbraw/zinc/40/46/86/807404686.db2.gz VBEHKBWRDHUSQP-KBPBESRZSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001258303600 807404691 /nfs/dbraw/zinc/40/46/91/807404691.db2.gz VBEHKBWRDHUSQP-KBPBESRZSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168458386 807422587 /nfs/dbraw/zinc/42/25/87/807422587.db2.gz FAWBCCRNOMFKFJ-JQFCIGGWSA-N 2 1 278.415 3.219 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1cccc(F)c1 ZINC001168501316 807438237 /nfs/dbraw/zinc/43/82/37/807438237.db2.gz RJCNRBLZOXADII-CQSZACIVSA-N 2 1 266.404 3.030 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258444436 807454083 /nfs/dbraw/zinc/45/40/83/807454083.db2.gz XCTJZLQBBXKXRM-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[C@@H](CC)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258444436 807454087 /nfs/dbraw/zinc/45/40/87/807454087.db2.gz XCTJZLQBBXKXRM-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[C@@H](CC)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258444436 807454091 /nfs/dbraw/zinc/45/40/91/807454091.db2.gz XCTJZLQBBXKXRM-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258444003 807454172 /nfs/dbraw/zinc/45/41/72/807454172.db2.gz QPMBVXSFVRHKKN-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC[NH3+])C(C)C ZINC001258649988 807522123 /nfs/dbraw/zinc/52/21/23/807522123.db2.gz WNSBHQMZUMYSKQ-KRWDZBQOSA-N 2 1 262.441 3.457 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C(C)(C)C[NH3+] ZINC001258673996 807538777 /nfs/dbraw/zinc/53/87/77/807538777.db2.gz XIDQNTQGXLUQSZ-VIFPVBQESA-N 2 1 275.223 3.251 20 0 CGADMP C[C@@H]1[C@@H]2CC[N@H+]1C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C2 ZINC001258690517 807546091 /nfs/dbraw/zinc/54/60/91/807546091.db2.gz SJTJXEUAIBQDQW-DGXTUMSLSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258698581 807551473 /nfs/dbraw/zinc/55/14/73/807551473.db2.gz QYCYHCDYZAASLW-GDBMZVCRSA-N 2 1 266.473 3.475 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(F)cc31)C2 ZINC001169100680 807576959 /nfs/dbraw/zinc/57/69/59/807576959.db2.gz LFKYEVPVFFKAES-PNBKFKSVSA-N 2 1 274.383 3.028 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3cccc(F)c3)CC1)C2 ZINC001169116650 807580872 /nfs/dbraw/zinc/58/08/72/807580872.db2.gz RNKIOUCNWYOZMN-OSYLJGHBSA-N 2 1 288.410 3.116 20 0 CGADMP Cc1cncc([C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001169123329 807584013 /nfs/dbraw/zinc/58/40/13/807584013.db2.gz JJCYABJKAJCUDD-MHORFTMASA-N 2 1 285.435 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccccc3)C1)C2 ZINC001169124513 807584689 /nfs/dbraw/zinc/58/46/89/807584689.db2.gz DJAPYZDCNUWKSI-FJIDUMEYSA-N 2 1 270.420 3.101 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC001169124513 807584695 /nfs/dbraw/zinc/58/46/95/807584695.db2.gz DJAPYZDCNUWKSI-FJIDUMEYSA-N 2 1 270.420 3.101 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC001169124513 807584697 /nfs/dbraw/zinc/58/46/97/807584697.db2.gz DJAPYZDCNUWKSI-FJIDUMEYSA-N 2 1 270.420 3.101 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC3(CCCC3)C1)C2 ZINC001169129917 807584794 /nfs/dbraw/zinc/58/47/94/807584794.db2.gz MAQWOINLRIPTHS-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC3(CCCC3)C1)C2 ZINC001169129917 807584798 /nfs/dbraw/zinc/58/47/98/807584798.db2.gz MAQWOINLRIPTHS-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC3(CCCC3)C1)C2 ZINC001169129917 807584799 /nfs/dbraw/zinc/58/47/99/807584799.db2.gz MAQWOINLRIPTHS-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141446 807588207 /nfs/dbraw/zinc/58/82/07/807588207.db2.gz QNOCENJGTBCCAY-CAOSSQGBSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141446 807588210 /nfs/dbraw/zinc/58/82/10/807588210.db2.gz QNOCENJGTBCCAY-CAOSSQGBSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141446 807588212 /nfs/dbraw/zinc/58/82/12/807588212.db2.gz QNOCENJGTBCCAY-CAOSSQGBSA-N 2 1 288.410 3.240 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139492 807588304 /nfs/dbraw/zinc/58/83/04/807588304.db2.gz NSFDMHIROIWJRM-MUJYYYPQSA-N 2 1 278.827 3.397 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139492 807588307 /nfs/dbraw/zinc/58/83/07/807588307.db2.gz NSFDMHIROIWJRM-MUJYYYPQSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139492 807588311 /nfs/dbraw/zinc/58/83/11/807588311.db2.gz NSFDMHIROIWJRM-MUJYYYPQSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139492 807588313 /nfs/dbraw/zinc/58/83/13/807588313.db2.gz NSFDMHIROIWJRM-MUJYYYPQSA-N 2 1 278.827 3.397 20 0 CGADMP CCC[NH+]1CCC([NH2+]C2(c3cccc(C)c3)CC2)CC1 ZINC001258770487 807603704 /nfs/dbraw/zinc/60/37/04/807603704.db2.gz KMIFMWRDWVSIFJ-UHFFFAOYSA-N 2 1 272.436 3.448 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccncc1 ZINC001258769169 807603950 /nfs/dbraw/zinc/60/39/50/807603950.db2.gz DUUJQGJALXTYQW-KRWDZBQOSA-N 2 1 275.440 3.387 20 0 CGADMP CCCN1CCC([N@@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001258776174 807606724 /nfs/dbraw/zinc/60/67/24/807606724.db2.gz WQYBQKKWWZQDJD-SFHVURJKSA-N 2 1 287.451 3.401 20 0 CGADMP CCCN1CCC([N@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001258776174 807606729 /nfs/dbraw/zinc/60/67/29/807606729.db2.gz WQYBQKKWWZQDJD-SFHVURJKSA-N 2 1 287.451 3.401 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001258776174 807606734 /nfs/dbraw/zinc/60/67/34/807606734.db2.gz WQYBQKKWWZQDJD-SFHVURJKSA-N 2 1 287.451 3.401 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001258776174 807606737 /nfs/dbraw/zinc/60/67/37/807606737.db2.gz WQYBQKKWWZQDJD-SFHVURJKSA-N 2 1 287.451 3.401 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001258816149 807633489 /nfs/dbraw/zinc/63/34/89/807633489.db2.gz YGQNKJNEAYHSLZ-XFIYOXNOSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001258816149 807633493 /nfs/dbraw/zinc/63/34/93/807633493.db2.gz YGQNKJNEAYHSLZ-XFIYOXNOSA-N 2 1 250.430 3.170 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001258905316 807671504 /nfs/dbraw/zinc/67/15/04/807671504.db2.gz XGPGYKPILIQAKE-DLBZAZTESA-N 3 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001258905316 807671505 /nfs/dbraw/zinc/67/15/05/807671505.db2.gz XGPGYKPILIQAKE-DLBZAZTESA-N 3 1 295.515 3.103 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001170117833 807764160 /nfs/dbraw/zinc/76/41/60/807764160.db2.gz NWXGQNDBCMDKGR-IMJJTQAJSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001170117833 807764164 /nfs/dbraw/zinc/76/41/64/807764164.db2.gz NWXGQNDBCMDKGR-IMJJTQAJSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170153231 807777100 /nfs/dbraw/zinc/77/71/00/807777100.db2.gz OPYLHMZSZQAIEB-YSHGAJCASA-N 2 1 284.447 3.239 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170153231 807777105 /nfs/dbraw/zinc/77/71/05/807777105.db2.gz OPYLHMZSZQAIEB-YSHGAJCASA-N 2 1 284.447 3.239 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170153231 807777110 /nfs/dbraw/zinc/77/71/10/807777110.db2.gz OPYLHMZSZQAIEB-YSHGAJCASA-N 2 1 284.447 3.239 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192159 807790667 /nfs/dbraw/zinc/79/06/67/807790667.db2.gz JBVKEOVXHCFOBH-QBPKDAKJSA-N 2 1 282.472 3.172 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001170246353 807802680 /nfs/dbraw/zinc/80/26/80/807802680.db2.gz UCHXUUKZBOSKAL-IAGOWNOFSA-N 2 1 282.472 3.140 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccccc1Cl ZINC001170251401 807804502 /nfs/dbraw/zinc/80/45/02/807804502.db2.gz ZPSUMRABYCLTKQ-NSHDSACASA-N 2 1 277.799 3.150 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC001262481526 807866275 /nfs/dbraw/zinc/86/62/75/807866275.db2.gz VUYYEUCLILHANI-UONOGXRCSA-N 2 1 282.815 3.008 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171032600 807966596 /nfs/dbraw/zinc/96/65/96/807966596.db2.gz GYIGYIHNRPUTTI-SUYBPPKGSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171032600 807966604 /nfs/dbraw/zinc/96/66/04/807966604.db2.gz GYIGYIHNRPUTTI-SUYBPPKGSA-N 2 1 292.854 3.127 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171094023 807982342 /nfs/dbraw/zinc/98/23/42/807982342.db2.gz JQTJCSKHXZQYEX-OAHLLOKOSA-N 2 1 289.810 3.076 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cncc(Cl)c2)CC1(C)C ZINC001171625828 808107690 /nfs/dbraw/zinc/10/76/90/808107690.db2.gz OWLGODDZPCMXOZ-UHFFFAOYSA-N 2 1 295.858 3.476 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC(C)(C)C2)CC1(C)C ZINC001171635965 808108955 /nfs/dbraw/zinc/10/89/55/808108955.db2.gz AWJSHUZRPXTCEJ-UHFFFAOYSA-N 2 1 252.446 3.370 20 0 CGADMP CC[N@@H+](C1CCOCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171635978 808109925 /nfs/dbraw/zinc/10/99/25/808109925.db2.gz BIVJJSCTMLSZLR-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H](N[C@H]2Cc3cccc(F)c3C2)C1 ZINC001171785290 808138804 /nfs/dbraw/zinc/13/88/04/808138804.db2.gz LXBWQGXXNWDYSK-GJZGRUSLSA-N 2 1 290.426 3.145 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2Cc3cccc(F)c3C2)C1 ZINC001171785290 808138809 /nfs/dbraw/zinc/13/88/09/808138809.db2.gz LXBWQGXXNWDYSK-GJZGRUSLSA-N 2 1 290.426 3.145 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171785290 808138811 /nfs/dbraw/zinc/13/88/11/808138811.db2.gz LXBWQGXXNWDYSK-GJZGRUSLSA-N 2 1 290.426 3.145 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171785290 808138815 /nfs/dbraw/zinc/13/88/15/808138815.db2.gz LXBWQGXXNWDYSK-GJZGRUSLSA-N 2 1 290.426 3.145 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c(C[NH3+])cc3ccccc31)C2 ZINC001172100570 808172880 /nfs/dbraw/zinc/17/28/80/808172880.db2.gz FGFUALDWRUUWKF-ZSHCYNCHSA-N 2 1 283.419 3.288 20 0 CGADMP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172102765 808175082 /nfs/dbraw/zinc/17/50/82/808175082.db2.gz OUQUUUVJTPFKIC-XDQVBPFNSA-N 2 1 279.453 3.117 20 0 CGADMP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172102765 808175085 /nfs/dbraw/zinc/17/50/85/808175085.db2.gz OUQUUUVJTPFKIC-XDQVBPFNSA-N 2 1 279.453 3.117 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172107032 808175840 /nfs/dbraw/zinc/17/58/40/808175840.db2.gz SMUJREOPDCOYIP-OSYLJGHBSA-N 2 1 276.399 3.239 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3F)C2 ZINC001172106502 808176591 /nfs/dbraw/zinc/17/65/91/808176591.db2.gz PPSKXYBXLQOCCK-KYZVSKTDSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3F)C2 ZINC001172106502 808176596 /nfs/dbraw/zinc/17/65/96/808176596.db2.gz PPSKXYBXLQOCCK-KYZVSKTDSA-N 2 1 288.410 3.418 20 0 CGADMP CC(C)CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC001172110252 808177800 /nfs/dbraw/zinc/17/78/00/808177800.db2.gz JFXNWJYOLUOUAS-BJWYYQGGSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172110252 808177804 /nfs/dbraw/zinc/17/78/04/808177804.db2.gz JFXNWJYOLUOUAS-BJWYYQGGSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C2 ZINC001172112170 808178870 /nfs/dbraw/zinc/17/88/70/808178870.db2.gz SXQAGSKNIRXJJB-XQLPTFJDSA-N 2 1 286.410 3.417 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC(C)(C)C1)C2 ZINC001172109629 808179221 /nfs/dbraw/zinc/17/92/21/808179221.db2.gz IDSKYNBMACTJQZ-QKDCVEJESA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCC[C@H](C)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113562 808179929 /nfs/dbraw/zinc/17/99/29/808179929.db2.gz KIHUQYVPNMEOTE-FRXHMLBDSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113562 808179918 /nfs/dbraw/zinc/17/99/18/808179918.db2.gz KIHUQYVPNMEOTE-FRXHMLBDSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113562 808179924 /nfs/dbraw/zinc/17/99/24/808179924.db2.gz KIHUQYVPNMEOTE-FRXHMLBDSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@H](C)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113562 808179934 /nfs/dbraw/zinc/17/99/34/808179934.db2.gz KIHUQYVPNMEOTE-FRXHMLBDSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001172121467 808183818 /nfs/dbraw/zinc/18/38/18/808183818.db2.gz JRMGCGPJHVAAMA-LEOABGAYSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001172121467 808183822 /nfs/dbraw/zinc/18/38/22/808183822.db2.gz JRMGCGPJHVAAMA-LEOABGAYSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC001172121467 808183827 /nfs/dbraw/zinc/18/38/27/808183827.db2.gz JRMGCGPJHVAAMA-LEOABGAYSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC001172121467 808183835 /nfs/dbraw/zinc/18/38/35/808183835.db2.gz JRMGCGPJHVAAMA-LEOABGAYSA-N 2 1 250.430 3.122 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC(F)C3)CC1)C2 ZINC001172120743 808184229 /nfs/dbraw/zinc/18/42/29/808184229.db2.gz MFQHIUHPNSKOOM-MUJYYYPQSA-N 2 1 280.431 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccccn1)C2 ZINC001172120125 808184372 /nfs/dbraw/zinc/18/43/72/808184372.db2.gz CTOFGELYAGWYNG-LHHMISFZSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1ccccn1)C2 ZINC001172120125 808184375 /nfs/dbraw/zinc/18/43/75/808184375.db2.gz CTOFGELYAGWYNG-LHHMISFZSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1ccccn1)C2 ZINC001172120125 808184377 /nfs/dbraw/zinc/18/43/77/808184377.db2.gz CTOFGELYAGWYNG-LHHMISFZSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CCC1)C1CCOCC1)C2 ZINC001172129867 808186612 /nfs/dbraw/zinc/18/66/12/808186612.db2.gz DQTXGFVAOOWOIT-BCDXTJNWSA-N 2 1 292.467 3.035 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CCC1)C1CCOCC1)C2 ZINC001172129867 808186617 /nfs/dbraw/zinc/18/66/17/808186617.db2.gz DQTXGFVAOOWOIT-BCDXTJNWSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C1CCC1)C1CCOCC1)C2 ZINC001172129867 808186620 /nfs/dbraw/zinc/18/66/20/808186620.db2.gz DQTXGFVAOOWOIT-BCDXTJNWSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C1CCC1)C1CCOCC1)C2 ZINC001172129867 808186625 /nfs/dbraw/zinc/18/66/25/808186625.db2.gz DQTXGFVAOOWOIT-BCDXTJNWSA-N 2 1 292.467 3.035 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172124617 808186902 /nfs/dbraw/zinc/18/69/02/808186902.db2.gz LZSHUPCLOORVNQ-REPLKXPHSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172124617 808186905 /nfs/dbraw/zinc/18/69/05/808186905.db2.gz LZSHUPCLOORVNQ-REPLKXPHSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172124617 808186906 /nfs/dbraw/zinc/18/69/06/808186906.db2.gz LZSHUPCLOORVNQ-REPLKXPHSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172124617 808186909 /nfs/dbraw/zinc/18/69/09/808186909.db2.gz LZSHUPCLOORVNQ-REPLKXPHSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172124617 808186911 /nfs/dbraw/zinc/18/69/11/808186911.db2.gz LZSHUPCLOORVNQ-REPLKXPHSA-N 2 1 286.463 3.485 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172200690 808196153 /nfs/dbraw/zinc/19/61/53/808196153.db2.gz CHQKSCUZPZSQMJ-INIZCTEOSA-N 2 1 290.476 3.120 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172200690 808196155 /nfs/dbraw/zinc/19/61/55/808196155.db2.gz CHQKSCUZPZSQMJ-INIZCTEOSA-N 2 1 290.476 3.120 20 0 CGADMP c1[nH+]cn([C@@H]2CSc3ccccc3C2)c1C1CC[NH2+]CC1 ZINC001172206407 808199232 /nfs/dbraw/zinc/19/92/32/808199232.db2.gz QCPABTPEGXCCOI-HNNXBMFYSA-N 2 1 299.443 3.240 20 0 CGADMP COCCC[NH+]1CCC([NH+](CC(C)C)CC(C)C)CC1 ZINC001172250475 808209042 /nfs/dbraw/zinc/20/90/42/808209042.db2.gz SZGWRPMVGUSJFE-UHFFFAOYSA-N 2 1 284.488 3.101 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)CCO[C@H](C)CC ZINC001172348814 808247232 /nfs/dbraw/zinc/24/72/32/808247232.db2.gz ROXXWUPOZHJKBU-HZPDHXFCSA-N 2 1 272.477 3.244 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172361074 808254762 /nfs/dbraw/zinc/25/47/62/808254762.db2.gz ZFISUOWMKLCHHA-GTDBDLECSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)OCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436858 808312279 /nfs/dbraw/zinc/31/22/79/808312279.db2.gz JRWIQIODCNDPMK-BZUAXINKSA-N 2 1 270.461 3.170 20 0 CGADMP CC(C)OCC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172452308 808323994 /nfs/dbraw/zinc/32/39/94/808323994.db2.gz YZJFXDUIHTWIDP-INIZCTEOSA-N 2 1 284.488 3.242 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172463927 808333980 /nfs/dbraw/zinc/33/39/80/808333980.db2.gz WFSPBKRXYHZCDI-WMZOPIPTSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172463927 808333987 /nfs/dbraw/zinc/33/39/87/808333987.db2.gz WFSPBKRXYHZCDI-WMZOPIPTSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546027 808375831 /nfs/dbraw/zinc/37/58/31/808375831.db2.gz IQKSOCATBNVSJK-CVEARBPZSA-N 2 1 269.392 3.202 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550291 808379873 /nfs/dbraw/zinc/37/98/73/808379873.db2.gz DMNIRRJDSAQQHF-KURKYZTESA-N 2 1 272.436 3.397 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172824933 808446803 /nfs/dbraw/zinc/44/68/03/808446803.db2.gz LCEJWKRUBDEKAY-REPIYIIUSA-N 2 1 298.474 3.281 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172824933 808446805 /nfs/dbraw/zinc/44/68/05/808446805.db2.gz LCEJWKRUBDEKAY-REPIYIIUSA-N 2 1 298.474 3.281 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172824933 808446809 /nfs/dbraw/zinc/44/68/09/808446809.db2.gz LCEJWKRUBDEKAY-REPIYIIUSA-N 2 1 298.474 3.281 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001172849603 808462287 /nfs/dbraw/zinc/46/22/87/808462287.db2.gz OSJZOFRYTSDGPO-XHBSWPGZSA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001172849603 808462290 /nfs/dbraw/zinc/46/22/90/808462290.db2.gz OSJZOFRYTSDGPO-XHBSWPGZSA-N 2 1 298.833 3.340 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001173109678 808511688 /nfs/dbraw/zinc/51/16/88/808511688.db2.gz JJOGWIVIXCUGBV-GPANFISMSA-N 2 1 270.436 3.463 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001173109396 808511761 /nfs/dbraw/zinc/51/17/61/808511761.db2.gz ICMMHYAVBNMODD-QQFBHYJXSA-N 2 1 270.436 3.463 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)C2CC(C)C2)CC1 ZINC001173108325 808511790 /nfs/dbraw/zinc/51/17/90/808511790.db2.gz BQCSSSBNWJUDLW-UHFFFAOYSA-N 2 1 252.446 3.370 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001173115297 808515323 /nfs/dbraw/zinc/51/53/23/808515323.db2.gz TXRUKGQPJRPDBE-HNNXBMFYSA-N 2 1 250.430 3.303 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001173115297 808515326 /nfs/dbraw/zinc/51/53/26/808515326.db2.gz TXRUKGQPJRPDBE-HNNXBMFYSA-N 2 1 250.430 3.303 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001173234629 808544740 /nfs/dbraw/zinc/54/47/40/808544740.db2.gz CMJDFRLPPLDJQP-MAUKXSAKSA-N 2 1 274.452 3.111 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001173243559 808551947 /nfs/dbraw/zinc/55/19/47/808551947.db2.gz JEEGMODNSDGGCV-HNNXBMFYSA-N 2 1 286.463 3.396 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001173276183 808579246 /nfs/dbraw/zinc/57/92/46/808579246.db2.gz UNZHKXCYPNRMGJ-CABCVRRESA-N 3 1 283.504 3.040 20 0 CGADMP CCSC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173295886 808595570 /nfs/dbraw/zinc/59/55/70/808595570.db2.gz NZIYDUNNDIKCMR-YDHLFZDLSA-N 2 1 270.486 3.252 20 0 CGADMP CC[N@@H+]1CC[C@@H](n2ccc([C@H](C)[NH2+]Cc3ccccc3)n2)C1 ZINC001173371033 808633731 /nfs/dbraw/zinc/63/37/31/808633731.db2.gz KEUSMOZDTOZVLC-DOTOQJQBSA-N 2 1 298.434 3.001 20 0 CGADMP CC[N@H+]1CC[C@@H](n2ccc([C@H](C)[NH2+]Cc3ccccc3)n2)C1 ZINC001173371033 808633736 /nfs/dbraw/zinc/63/37/36/808633736.db2.gz KEUSMOZDTOZVLC-DOTOQJQBSA-N 2 1 298.434 3.001 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCC[N@H+](C)C2 ZINC001275045576 808899750 /nfs/dbraw/zinc/89/97/50/808899750.db2.gz PLYLIDZJOBMDBR-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](C)C2 ZINC001275045576 808899753 /nfs/dbraw/zinc/89/97/53/808899753.db2.gz PLYLIDZJOBMDBR-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275076895 808904690 /nfs/dbraw/zinc/90/46/90/808904690.db2.gz HFCIIWUUFCRKTA-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275076895 808904694 /nfs/dbraw/zinc/90/46/94/808904694.db2.gz HFCIIWUUFCRKTA-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275076895 808904695 /nfs/dbraw/zinc/90/46/95/808904695.db2.gz HFCIIWUUFCRKTA-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4ccncc43)C[C@H]2CC1 ZINC001275315306 808928424 /nfs/dbraw/zinc/92/84/24/808928424.db2.gz RZJGLJDAAKALOO-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4ccncc43)C[C@H]2CC1 ZINC001275315306 808928427 /nfs/dbraw/zinc/92/84/27/808928427.db2.gz RZJGLJDAAKALOO-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4ccncc43)C[C@H]2CC1 ZINC001275315306 808928434 /nfs/dbraw/zinc/92/84/34/808928434.db2.gz RZJGLJDAAKALOO-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(C)c1F ZINC001275830754 808969941 /nfs/dbraw/zinc/96/99/41/808969941.db2.gz ZAXUQFUWPDLGOU-CALCHBBNSA-N 2 1 290.426 3.216 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(C)c1F ZINC001275830754 808969943 /nfs/dbraw/zinc/96/99/43/808969943.db2.gz ZAXUQFUWPDLGOU-CALCHBBNSA-N 2 1 290.426 3.216 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(C)c1F ZINC001275830754 808969949 /nfs/dbraw/zinc/96/99/49/808969949.db2.gz ZAXUQFUWPDLGOU-CALCHBBNSA-N 2 1 290.426 3.216 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276170112 808990988 /nfs/dbraw/zinc/99/09/88/808990988.db2.gz OMGXIRZPECDMNN-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276170112 808990991 /nfs/dbraw/zinc/99/09/91/808990991.db2.gz OMGXIRZPECDMNN-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276170112 808990995 /nfs/dbraw/zinc/99/09/95/808990995.db2.gz OMGXIRZPECDMNN-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276170112 808990997 /nfs/dbraw/zinc/99/09/97/808990997.db2.gz OMGXIRZPECDMNN-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001276372274 809004862 /nfs/dbraw/zinc/00/48/62/809004862.db2.gz MLKDPOMVLYAOCN-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001276372274 809004867 /nfs/dbraw/zinc/00/48/67/809004867.db2.gz MLKDPOMVLYAOCN-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)CC1 ZINC001276473039 809013075 /nfs/dbraw/zinc/01/30/75/809013075.db2.gz UIEHIJNADUUQLN-IRXDYDNUSA-N 2 1 276.468 3.397 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCC2CC2)C3)c1 ZINC001276512849 809014723 /nfs/dbraw/zinc/01/47/23/809014723.db2.gz AWJLGAQZZWNOQC-GOSISDBHSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCC2CC2)C3)c1 ZINC001276512849 809014728 /nfs/dbraw/zinc/01/47/28/809014728.db2.gz AWJLGAQZZWNOQC-GOSISDBHSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCC2CC2)C3)c1 ZINC001276512849 809014734 /nfs/dbraw/zinc/01/47/34/809014734.db2.gz AWJLGAQZZWNOQC-GOSISDBHSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCC2CC2)C3)c1 ZINC001276512849 809014743 /nfs/dbraw/zinc/01/47/43/809014743.db2.gz AWJLGAQZZWNOQC-GOSISDBHSA-N 2 1 287.451 3.103 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)cc2c1 ZINC001276597156 809018970 /nfs/dbraw/zinc/01/89/70/809018970.db2.gz HUCOTAOCLBUZLH-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1ccccc1F)C2 ZINC001276726279 809026338 /nfs/dbraw/zinc/02/63/38/809026338.db2.gz IHCYMJDTAHLZLN-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1F)C2 ZINC001276726279 809026344 /nfs/dbraw/zinc/02/63/44/809026344.db2.gz IHCYMJDTAHLZLN-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1F)C2 ZINC001276726279 809026351 /nfs/dbraw/zinc/02/63/51/809026351.db2.gz IHCYMJDTAHLZLN-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)cn3)CC2)C1 ZINC001276745160 809027200 /nfs/dbraw/zinc/02/72/00/809027200.db2.gz PSHRFRMWRBFJFR-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)cn3)CC2)C1 ZINC001276745160 809027207 /nfs/dbraw/zinc/02/72/07/809027207.db2.gz PSHRFRMWRBFJFR-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3ccoc31)CC2 ZINC001276790624 809030333 /nfs/dbraw/zinc/03/03/33/809030333.db2.gz SCRQOKDBMKTQOI-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc4ccccc4c3)C[C@H]2CC1 ZINC001276788250 809030583 /nfs/dbraw/zinc/03/05/83/809030583.db2.gz COVLQAZPHFVPKC-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@H]2CC1 ZINC001276788250 809030590 /nfs/dbraw/zinc/03/05/90/809030590.db2.gz COVLQAZPHFVPKC-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@H]2CC1 ZINC001276788250 809030598 /nfs/dbraw/zinc/03/05/98/809030598.db2.gz COVLQAZPHFVPKC-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP Cn1ccc2c1cccc2C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276829767 809034591 /nfs/dbraw/zinc/03/45/91/809034591.db2.gz AIHFCPKIMFQZDV-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3cccnc3c1)C2 ZINC001276833071 809036039 /nfs/dbraw/zinc/03/60/39/809036039.db2.gz HJFJISRWDWXBBX-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3cccnc3c1)C2 ZINC001276833071 809036048 /nfs/dbraw/zinc/03/60/48/809036048.db2.gz HJFJISRWDWXBBX-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3cccnc3c1)C2 ZINC001276833071 809036055 /nfs/dbraw/zinc/03/60/55/809036055.db2.gz HJFJISRWDWXBBX-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3cccnc3c1)C2 ZINC001276833071 809036062 /nfs/dbraw/zinc/03/60/62/809036062.db2.gz HJFJISRWDWXBBX-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC001277798764 809096252 /nfs/dbraw/zinc/09/62/52/809096252.db2.gz AUTXVNXFADQVEN-GASCZTMLSA-N 2 1 293.480 3.004 20 0 CGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](C(C)C)C[C@H]2CC1 ZINC001277798764 809096259 /nfs/dbraw/zinc/09/62/59/809096259.db2.gz AUTXVNXFADQVEN-GASCZTMLSA-N 2 1 293.480 3.004 20 0 CGADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](C(C)C)C[C@H]2CC1 ZINC001277798764 809096262 /nfs/dbraw/zinc/09/62/62/809096262.db2.gz AUTXVNXFADQVEN-GASCZTMLSA-N 2 1 293.480 3.004 20 0 CGADMP CC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277887101 809102784 /nfs/dbraw/zinc/10/27/84/809102784.db2.gz BZBNJMGQNJNKMA-OAHLLOKOSA-N 2 1 292.467 3.085 20 0 CGADMP Cc1cc[nH+]c(Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001176222723 809650422 /nfs/dbraw/zinc/65/04/22/809650422.db2.gz NCFQNUSADUOWBJ-UHFFFAOYSA-N 2 1 271.364 3.074 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177009188 809774769 /nfs/dbraw/zinc/77/47/69/809774769.db2.gz ZKZGITQLGFCXPE-VVLHAWIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177009188 809774773 /nfs/dbraw/zinc/77/47/73/809774773.db2.gz ZKZGITQLGFCXPE-VVLHAWIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177009188 809774777 /nfs/dbraw/zinc/77/47/77/809774777.db2.gz ZKZGITQLGFCXPE-VVLHAWIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001177298470 809792416 /nfs/dbraw/zinc/79/24/16/809792416.db2.gz FILGFUUZSLKYIO-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC001177337910 809795393 /nfs/dbraw/zinc/79/53/93/809795393.db2.gz OFSNMIJOQBTJBV-DZGCQCFKSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCOc3ccccc3[C@H]2C)CC1 ZINC001180166995 809981566 /nfs/dbraw/zinc/98/15/66/809981566.db2.gz YKXJGIBKISGNLQ-OAHLLOKOSA-N 2 1 288.435 3.174 20 0 CGADMP CN(Cc1ccnn1-c1ccncc1)Cc1ccc(F)cc1 ZINC001180566283 810010932 /nfs/dbraw/zinc/01/09/32/810010932.db2.gz OLKMIFYSSUOXEQ-UHFFFAOYSA-N 2 1 296.349 3.038 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC23CCC(CC2)C3)[C@H](C)C1 ZINC001191601958 810727598 /nfs/dbraw/zinc/72/75/98/810727598.db2.gz SUZXXAPXTYDUDQ-KZYLPZIUSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC23CCC(CC2)C3)[C@H](C)C1 ZINC001191601958 810727603 /nfs/dbraw/zinc/72/76/03/810727603.db2.gz SUZXXAPXTYDUDQ-KZYLPZIUSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC23CCC(CC2)C3)[C@H](C)C1 ZINC001191601958 810727608 /nfs/dbraw/zinc/72/76/08/810727608.db2.gz SUZXXAPXTYDUDQ-KZYLPZIUSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197368002 811420910 /nfs/dbraw/zinc/42/09/10/811420910.db2.gz CKQFPDYOTZGDKL-GJZGRUSLSA-N 2 1 299.393 3.492 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC001200254818 811654412 /nfs/dbraw/zinc/65/44/12/811654412.db2.gz JZUIAHJYFHDPIK-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC001200254818 811654417 /nfs/dbraw/zinc/65/44/17/811654417.db2.gz JZUIAHJYFHDPIK-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201482307 811859535 /nfs/dbraw/zinc/85/95/35/811859535.db2.gz IBZXWEXEHIFOJQ-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201482307 811859545 /nfs/dbraw/zinc/85/95/45/811859545.db2.gz IBZXWEXEHIFOJQ-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201482307 811859555 /nfs/dbraw/zinc/85/95/55/811859555.db2.gz IBZXWEXEHIFOJQ-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201616682 811922104 /nfs/dbraw/zinc/92/21/04/811922104.db2.gz CVUNNSVZKWHQMI-OAHLLOKOSA-N 2 1 292.471 3.146 20 0 CGADMP CC(C)CC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201616682 811922110 /nfs/dbraw/zinc/92/21/10/811922110.db2.gz CVUNNSVZKWHQMI-OAHLLOKOSA-N 2 1 292.471 3.146 20 0 CGADMP CC(C)CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201616682 811922116 /nfs/dbraw/zinc/92/21/16/811922116.db2.gz CVUNNSVZKWHQMI-OAHLLOKOSA-N 2 1 292.471 3.146 20 0 CGADMP CC(C)CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201616682 811922124 /nfs/dbraw/zinc/92/21/24/811922124.db2.gz CVUNNSVZKWHQMI-OAHLLOKOSA-N 2 1 292.471 3.146 20 0 CGADMP CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201640862 811928471 /nfs/dbraw/zinc/92/84/71/811928471.db2.gz FRDPBSSNXVJXMX-RYQLBKOJSA-N 2 1 287.451 3.024 20 0 CGADMP CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201640862 811928478 /nfs/dbraw/zinc/92/84/78/811928478.db2.gz FRDPBSSNXVJXMX-RYQLBKOJSA-N 2 1 287.451 3.024 20 0 CGADMP CCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201640862 811928482 /nfs/dbraw/zinc/92/84/82/811928482.db2.gz FRDPBSSNXVJXMX-RYQLBKOJSA-N 2 1 287.451 3.024 20 0 CGADMP CCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201640862 811928486 /nfs/dbraw/zinc/92/84/86/811928486.db2.gz FRDPBSSNXVJXMX-RYQLBKOJSA-N 2 1 287.451 3.024 20 0 CGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC001204016787 812521026 /nfs/dbraw/zinc/52/10/26/812521026.db2.gz IZGAMMBRRJJUGF-ZDUSSCGKSA-N 2 1 274.389 3.105 20 0 CGADMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC001204016787 812521031 /nfs/dbraw/zinc/52/10/31/812521031.db2.gz IZGAMMBRRJJUGF-ZDUSSCGKSA-N 2 1 274.389 3.105 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2NCC)C1 ZINC001204163759 812558802 /nfs/dbraw/zinc/55/88/02/812558802.db2.gz UAWIXRUBOZHXLW-MRXNPFEDSA-N 2 1 289.467 3.282 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2NCC)C1 ZINC001204163759 812558805 /nfs/dbraw/zinc/55/88/05/812558805.db2.gz UAWIXRUBOZHXLW-MRXNPFEDSA-N 2 1 289.467 3.282 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2NCC)C1 ZINC001204163759 812558807 /nfs/dbraw/zinc/55/88/07/812558807.db2.gz UAWIXRUBOZHXLW-MRXNPFEDSA-N 2 1 289.467 3.282 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2NCC)C1 ZINC001204163759 812558809 /nfs/dbraw/zinc/55/88/09/812558809.db2.gz UAWIXRUBOZHXLW-MRXNPFEDSA-N 2 1 289.467 3.282 20 0 CGADMP C[C@@H](c1nccc2ccccc21)[NH+]1CCC([NH+](C)C)CC1 ZINC001204411704 812631914 /nfs/dbraw/zinc/63/19/14/812631914.db2.gz QFJKJBSITREROW-AWEZNQCLSA-N 2 1 283.419 3.322 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001204599324 812685586 /nfs/dbraw/zinc/68/55/86/812685586.db2.gz WVJWKMBMYXDHEF-TXEJJXNPSA-N 2 1 264.438 3.157 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204667525 812704821 /nfs/dbraw/zinc/70/48/21/812704821.db2.gz MCWGHSHIRXRBHF-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204667525 812704827 /nfs/dbraw/zinc/70/48/27/812704827.db2.gz MCWGHSHIRXRBHF-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204734988 812720647 /nfs/dbraw/zinc/72/06/47/812720647.db2.gz INNXCPJMOGYJPE-UHFFFAOYSA-N 2 1 294.389 3.239 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)o1 ZINC001204742251 812724099 /nfs/dbraw/zinc/72/40/99/812724099.db2.gz LITDWMBZWKKDDS-UHFFFAOYSA-N 2 1 284.403 3.398 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@](C)([NH3+])C1)c1cccc2ccccc21 ZINC001204763430 812729721 /nfs/dbraw/zinc/72/97/21/812729721.db2.gz JYLLLUUAPLNDFM-RDTXWAMCSA-N 2 1 268.404 3.366 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@](C)([NH3+])C1)c1cccc2ccccc21 ZINC001204763430 812729727 /nfs/dbraw/zinc/72/97/27/812729727.db2.gz JYLLLUUAPLNDFM-RDTXWAMCSA-N 2 1 268.404 3.366 20 0 CGADMP Clc1cc(Cl)cc(C2=CC[N@H+](CC3C[NH2+]C3)CC2)c1 ZINC001205000305 812816861 /nfs/dbraw/zinc/81/68/61/812816861.db2.gz CWSOXEVTROIWQI-UHFFFAOYSA-N 2 1 297.229 3.302 20 0 CGADMP Clc1cc(Cl)cc(C2=CC[N@@H+](CC3C[NH2+]C3)CC2)c1 ZINC001205000305 812816870 /nfs/dbraw/zinc/81/68/70/812816870.db2.gz CWSOXEVTROIWQI-UHFFFAOYSA-N 2 1 297.229 3.302 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001205009241 812822681 /nfs/dbraw/zinc/82/26/81/812822681.db2.gz JWJFRDSBOLUGPZ-CQSZACIVSA-N 2 1 286.394 3.410 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2OC)C1 ZINC001205015377 812826141 /nfs/dbraw/zinc/82/61/41/812826141.db2.gz CHVMSYALNHOGGY-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2OC)C1 ZINC001205015377 812826149 /nfs/dbraw/zinc/82/61/49/812826149.db2.gz CHVMSYALNHOGGY-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(C)C)c(C)c2)C1 ZINC001205018570 812828904 /nfs/dbraw/zinc/82/89/04/812828904.db2.gz UXDBNDAQZATMQN-KRWDZBQOSA-N 2 1 290.451 3.214 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(C)C)c(C)c2)C1 ZINC001205018570 812828911 /nfs/dbraw/zinc/82/89/11/812828911.db2.gz UXDBNDAQZATMQN-KRWDZBQOSA-N 2 1 290.451 3.214 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001205088353 812856192 /nfs/dbraw/zinc/85/61/92/812856192.db2.gz OLWXLIPNGZFROB-FVQBIDKESA-N 2 1 278.827 3.257 20 0 CGADMP CN(C)c1ccc2cc(C[N@H+]3CCC[C@H]([NH3+])CC3)ccc2c1 ZINC001205110553 812870667 /nfs/dbraw/zinc/87/06/67/812870667.db2.gz VUMKZJQXXDCKMX-SFHVURJKSA-N 2 1 297.446 3.219 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205117691 812875093 /nfs/dbraw/zinc/87/50/93/812875093.db2.gz RXMMFTPJCBSRRY-KRWDZBQOSA-N 2 1 260.425 3.198 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccc1Cl ZINC001205124427 812877929 /nfs/dbraw/zinc/87/79/29/812877929.db2.gz RFXBZYLDIDSYHQ-CQSZACIVSA-N 2 1 266.816 3.216 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1Cl ZINC001205124427 812877934 /nfs/dbraw/zinc/87/79/34/812877934.db2.gz RFXBZYLDIDSYHQ-CQSZACIVSA-N 2 1 266.816 3.216 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001205164959 812895036 /nfs/dbraw/zinc/89/50/36/812895036.db2.gz YERWBZJMGWLJHA-IOASZLSFSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001205164959 812895049 /nfs/dbraw/zinc/89/50/49/812895049.db2.gz YERWBZJMGWLJHA-IOASZLSFSA-N 2 1 294.389 3.097 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c2ccccc12 ZINC001205177522 812899694 /nfs/dbraw/zinc/89/96/94/812899694.db2.gz PGTMNVIDYVXJAT-CXAGYDPISA-N 2 1 254.377 3.070 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c2ccccc12 ZINC001205177522 812899699 /nfs/dbraw/zinc/89/96/99/812899699.db2.gz PGTMNVIDYVXJAT-CXAGYDPISA-N 2 1 254.377 3.070 20 0 CGADMP Cc1csc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205264035 812921590 /nfs/dbraw/zinc/92/15/90/812921590.db2.gz GWUMMDLBLCFFLY-ZDUSSCGKSA-N 2 1 272.845 3.413 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205264035 812921599 /nfs/dbraw/zinc/92/15/99/812921599.db2.gz GWUMMDLBLCFFLY-ZDUSSCGKSA-N 2 1 272.845 3.413 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCC[C@](C)([NH3+])CC3)ccc2c1 ZINC001205266732 812921721 /nfs/dbraw/zinc/92/17/21/812921721.db2.gz XAAWWUBFIXBPBF-SFHVURJKSA-N 2 1 283.419 3.247 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cc2c1 ZINC001205264045 812922628 /nfs/dbraw/zinc/92/26/28/812922628.db2.gz HAFNXPQDICUVSM-QGZVFWFLSA-N 2 1 271.408 3.180 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001205273086 812925064 /nfs/dbraw/zinc/92/50/64/812925064.db2.gz DRORTPDSTCJTAV-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(F)c1 ZINC001205295701 812936026 /nfs/dbraw/zinc/93/60/26/812936026.db2.gz AYUHURXNNRAXGM-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(F)c1 ZINC001205295701 812936028 /nfs/dbraw/zinc/93/60/28/812936028.db2.gz AYUHURXNNRAXGM-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C[C@@H]1C[NH3+] ZINC001205303394 812941095 /nfs/dbraw/zinc/94/10/95/812941095.db2.gz DORNOGFLEMZAPY-HOCLYGCPSA-N 2 1 290.451 3.281 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205304317 812941689 /nfs/dbraw/zinc/94/16/89/812941689.db2.gz NSOLHRHVJWFZSR-MAUKXSAKSA-N 2 1 274.452 3.446 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205315338 812948112 /nfs/dbraw/zinc/94/81/12/812948112.db2.gz DWAKWSADRALGRN-RISCZKNCSA-N 2 1 266.816 3.065 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205317974 812950388 /nfs/dbraw/zinc/95/03/88/812950388.db2.gz RDMKWKLYYDBTPH-HIFRSBDPSA-N 2 1 294.414 3.031 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205317974 812950395 /nfs/dbraw/zinc/95/03/95/812950395.db2.gz RDMKWKLYYDBTPH-HIFRSBDPSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC001205411645 812979948 /nfs/dbraw/zinc/97/99/48/812979948.db2.gz KAXQVOYYPMIWGP-UHFFFAOYSA-N 2 1 286.463 3.406 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001205539416 812996644 /nfs/dbraw/zinc/99/66/44/812996644.db2.gz YRSRMRHMCUOKHB-INIZCTEOSA-N 2 1 298.833 3.426 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546449 813000181 /nfs/dbraw/zinc/00/01/81/813000181.db2.gz VRMAMSLZFKUCOH-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)s1 ZINC001205558833 813002741 /nfs/dbraw/zinc/00/27/41/813002741.db2.gz JTFMOXBMKKHXNF-HNNXBMFYSA-N 2 1 284.444 3.354 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591178 813015165 /nfs/dbraw/zinc/01/51/65/813015165.db2.gz GGBYRUALRBXRJO-INIZCTEOSA-N 2 1 296.455 3.452 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1C ZINC001205601348 813017228 /nfs/dbraw/zinc/01/72/28/813017228.db2.gz DQTXVKSQJHRGAR-PBHICJAKSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205600976 813017961 /nfs/dbraw/zinc/01/79/61/813017961.db2.gz COWSZVJPMZLXPW-ZACQAIPSSA-N 2 1 298.515 3.261 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC2CCCCC2)CC[C@H]1C[NH3+] ZINC001205601777 813017986 /nfs/dbraw/zinc/01/79/86/813017986.db2.gz GISVUGCTWSTMTJ-ZBFHGGJFSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@H]1CC[N@@H+](CCCC2CCCC2)CC[C@H]1C[NH3+] ZINC001205603565 813019890 /nfs/dbraw/zinc/01/98/90/813019890.db2.gz QIESCHOVPFRPEN-HOCLYGCPSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1)c1ccccc1 ZINC001205602274 813020007 /nfs/dbraw/zinc/02/00/07/813020007.db2.gz IEDPCHKJNFJGAR-UXLLHSPISA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3ncccc23)CC[C@@H]1C[NH3+] ZINC001205616432 813025645 /nfs/dbraw/zinc/02/56/45/813025645.db2.gz FLKJTYFMLXUWTM-LSDHHAIUSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)CC[C@H]1C[NH3+] ZINC001205618175 813028908 /nfs/dbraw/zinc/02/89/08/813028908.db2.gz SHXKWGOEPAHGBB-OLZOCXBDSA-N 2 1 298.377 3.095 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205627190 813032383 /nfs/dbraw/zinc/03/23/83/813032383.db2.gz NSRSBCUDASHLCZ-DGCLKSJQSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2csc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205626759 813033140 /nfs/dbraw/zinc/03/31/40/813033140.db2.gz IXPVXXXAIIZGDQ-PWSUYJOCSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2nccc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205638477 813035767 /nfs/dbraw/zinc/03/57/67/813035767.db2.gz OKOUQKOUJXXLCM-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1(C)C ZINC001205735094 813063962 /nfs/dbraw/zinc/06/39/62/813063962.db2.gz JYWYIOKLJXFMGW-ZIAGYGMSSA-N 2 1 286.410 3.285 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205806324 813089130 /nfs/dbraw/zinc/08/91/30/813089130.db2.gz TYOMJUKIEYIILO-TZMCWYRMSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205806324 813089140 /nfs/dbraw/zinc/08/91/40/813089140.db2.gz TYOMJUKIEYIILO-TZMCWYRMSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001205903015 813124548 /nfs/dbraw/zinc/12/45/48/813124548.db2.gz MTIQCFLBBRIHMM-TZMCWYRMSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1-n1cccc1 ZINC001205913048 813128998 /nfs/dbraw/zinc/12/89/98/813128998.db2.gz GKYNJHLJRMTGET-HOTGVXAUSA-N 2 1 283.419 3.037 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1C ZINC001205984620 813153200 /nfs/dbraw/zinc/15/32/00/813153200.db2.gz SOCZEGQWWOKAJT-CJNGLKHVSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CCC[C@H]1C[NH3+] ZINC001205993438 813155386 /nfs/dbraw/zinc/15/53/86/813155386.db2.gz HPTWWLAIIXCNIH-JSGCOSHPSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCC[C@@H]1C[NH3+] ZINC001205992081 813155613 /nfs/dbraw/zinc/15/56/13/813155613.db2.gz DIVMNSATVBLYHD-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CCC[C@@H]1C[NH3+] ZINC001205996167 813156675 /nfs/dbraw/zinc/15/66/75/813156675.db2.gz VQCKBDVUEIZYHO-GHMZBOCLSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CCC[C@@H]1C[NH3+] ZINC001205996090 813157088 /nfs/dbraw/zinc/15/70/88/813157088.db2.gz UQBSYEOICJHKKC-ZIAGYGMSSA-N 2 1 277.456 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205995768 813157263 /nfs/dbraw/zinc/15/72/63/813157263.db2.gz QAZLQLWHOZSKMD-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CCC[C@@H]1C[NH3+] ZINC001205994920 813157471 /nfs/dbraw/zinc/15/74/71/813157471.db2.gz NFKUGXZSOLBCIN-HUUCEWRRSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c[nH]c2c1 ZINC001205996589 813157856 /nfs/dbraw/zinc/15/78/56/813157856.db2.gz XNASEWADNAVGIV-HUUCEWRRSA-N 2 1 285.435 3.283 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1Cl ZINC001206004731 813161113 /nfs/dbraw/zinc/16/11/13/813161113.db2.gz UUANLTIVPRBIKG-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(C)c1F ZINC001206013186 813165357 /nfs/dbraw/zinc/16/53/57/813165357.db2.gz QARJOLSEEYPKDZ-GOEBONIOSA-N 2 1 278.415 3.249 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206021655 813168911 /nfs/dbraw/zinc/16/89/11/813168911.db2.gz APNGWXRHKUFJPM-OCCSQVGLSA-N 2 1 280.843 3.455 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206023826 813169317 /nfs/dbraw/zinc/16/93/17/813169317.db2.gz GUJLVHDYHJLQEH-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206024403 813169972 /nfs/dbraw/zinc/16/99/72/813169972.db2.gz JKRCMTKWEYVWCJ-RDJZCZTQSA-N 2 1 274.452 3.364 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c3ccoc32)CCC[C@H]1C[NH3+] ZINC001206026520 813170590 /nfs/dbraw/zinc/17/05/90/813170590.db2.gz SQCOBBSYNJVQAS-OLZOCXBDSA-N 2 1 290.382 3.379 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)sc1C ZINC001206025399 813170630 /nfs/dbraw/zinc/17/06/30/813170630.db2.gz NVOSKDUJPSZSPI-OCCSQVGLSA-N 2 1 266.454 3.172 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043910 813179788 /nfs/dbraw/zinc/17/97/88/813179788.db2.gz ZLROMCUBYVCKQC-IAQYHMDHSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043910 813179793 /nfs/dbraw/zinc/17/97/93/813179793.db2.gz ZLROMCUBYVCKQC-IAQYHMDHSA-N 2 1 274.433 3.379 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC2(CCC2)CC1 ZINC001206109457 813202057 /nfs/dbraw/zinc/20/20/57/813202057.db2.gz RHRJQNSSXGKKGR-AWEZNQCLSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC2(CCC2)CC1 ZINC001206109457 813202062 /nfs/dbraw/zinc/20/20/62/813202062.db2.gz RHRJQNSSXGKKGR-AWEZNQCLSA-N 2 1 252.446 3.418 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3ccccc32)CC[C@H]1F ZINC001206156440 813217008 /nfs/dbraw/zinc/21/70/08/813217008.db2.gz QWIIXFABTVYHFQ-IAGOWNOFSA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3ccccc32)CC[C@H]1F ZINC001206156440 813217012 /nfs/dbraw/zinc/21/70/12/813217012.db2.gz QWIIXFABTVYHFQ-IAGOWNOFSA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3sccc32)CC[C@@H]1F ZINC001206200144 813236106 /nfs/dbraw/zinc/23/61/06/813236106.db2.gz QQFNCAXFTSRYPL-UONOGXRCSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3sccc32)CC[C@@H]1F ZINC001206200144 813236111 /nfs/dbraw/zinc/23/61/11/813236111.db2.gz QQFNCAXFTSRYPL-UONOGXRCSA-N 2 1 278.396 3.163 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC001206292910 813275709 /nfs/dbraw/zinc/27/57/09/813275709.db2.gz FPJSGJUKVSWYEM-SFHVURJKSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206303179 813278656 /nfs/dbraw/zinc/27/86/56/813278656.db2.gz CLHXBBSVDXEMBC-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206305408 813281574 /nfs/dbraw/zinc/28/15/74/813281574.db2.gz YLXQURDTVRYBMB-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311704 813284952 /nfs/dbraw/zinc/28/49/52/813284952.db2.gz SJYTYMJHZUZVOB-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001206326130 813290707 /nfs/dbraw/zinc/29/07/07/813290707.db2.gz KMKAXBLECZZVPZ-GOSISDBHSA-N 2 1 299.418 3.293 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)c2c1 ZINC001206343205 813296299 /nfs/dbraw/zinc/29/62/99/813296299.db2.gz CZXIRBPBRQTIQU-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)c2c1 ZINC001206343205 813296303 /nfs/dbraw/zinc/29/63/03/813296303.db2.gz CZXIRBPBRQTIQU-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP Cn1c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc2ccccc21 ZINC001206554524 813350643 /nfs/dbraw/zinc/35/06/43/813350643.db2.gz DSMOPDAPXNCEQZ-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC001206556498 813351495 /nfs/dbraw/zinc/35/14/95/813351495.db2.gz TVQARIODOLCYMV-GOSISDBHSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC001206556498 813351500 /nfs/dbraw/zinc/35/15/00/813351500.db2.gz TVQARIODOLCYMV-GOSISDBHSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001206564444 813355207 /nfs/dbraw/zinc/35/52/07/813355207.db2.gz NTDDXZPULOVZTB-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001206563265 813355463 /nfs/dbraw/zinc/35/54/63/813355463.db2.gz AQUNVIJHEUFZAQ-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)s1 ZINC001206565993 813356199 /nfs/dbraw/zinc/35/61/99/813356199.db2.gz XIDDNFFTRRYUBW-OAHLLOKOSA-N 2 1 266.454 3.261 20 0 CGADMP COc1c(C)ccc(F)c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206580991 813362964 /nfs/dbraw/zinc/36/29/64/813362964.db2.gz GZRNQEOYMYLQJQ-QGZVFWFLSA-N 2 1 294.414 3.094 20 0 CGADMP COc1c(C)ccc(F)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206580991 813362967 /nfs/dbraw/zinc/36/29/67/813362967.db2.gz GZRNQEOYMYLQJQ-QGZVFWFLSA-N 2 1 294.414 3.094 20 0 CGADMP Cc1cccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1F ZINC001206584183 813364862 /nfs/dbraw/zinc/36/48/62/813364862.db2.gz XKQQUUJJGRTKCR-INIZCTEOSA-N 2 1 278.415 3.487 20 0 CGADMP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1C ZINC001206588516 813365449 /nfs/dbraw/zinc/36/54/49/813365449.db2.gz AETXFHVSEDYNCC-QGZVFWFLSA-N 2 1 290.451 3.356 20 0 CGADMP CC(C)[N@H+](Cc1ccc(O)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206592139 813367247 /nfs/dbraw/zinc/36/72/47/813367247.db2.gz XPZVNULEZAGOGF-AWEZNQCLSA-N 2 1 296.842 3.398 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(O)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206592139 813367254 /nfs/dbraw/zinc/36/72/54/813367254.db2.gz XPZVNULEZAGOGF-AWEZNQCLSA-N 2 1 296.842 3.398 20 0 CGADMP COc1cc(F)cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206591063 813367445 /nfs/dbraw/zinc/36/74/45/813367445.db2.gz QBFFJNMFJPMYEX-INIZCTEOSA-N 2 1 294.414 3.187 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)ccc2c1 ZINC001206615880 813375557 /nfs/dbraw/zinc/37/55/57/813375557.db2.gz JMWTYVPMWBWEHJ-HNNXBMFYSA-N 2 1 283.419 3.104 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCC(C)(C)c1ccccc1 ZINC001206761472 813427263 /nfs/dbraw/zinc/42/72/63/813427263.db2.gz ZAYDPCXHSVSRTQ-JKSUJKDBSA-N 2 1 274.452 3.414 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cc21 ZINC001206768550 813430437 /nfs/dbraw/zinc/43/04/37/813430437.db2.gz KJBWQZALAFRLAT-HOCLYGCPSA-N 2 1 285.435 3.220 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206772264 813433605 /nfs/dbraw/zinc/43/36/05/813433605.db2.gz ZZGWEYORHZXIGF-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206806172 813440989 /nfs/dbraw/zinc/44/09/89/813440989.db2.gz FWYCKBYSNDUVAB-RYUDHWBXSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206806172 813440997 /nfs/dbraw/zinc/44/09/97/813440997.db2.gz FWYCKBYSNDUVAB-RYUDHWBXSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1ccnc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001206852873 813454093 /nfs/dbraw/zinc/45/40/93/813454093.db2.gz JDYXDPGLJWIPQV-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccnc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001206852873 813454099 /nfs/dbraw/zinc/45/40/99/813454099.db2.gz JDYXDPGLJWIPQV-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccnc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001206852873 813454105 /nfs/dbraw/zinc/45/41/05/813454105.db2.gz JDYXDPGLJWIPQV-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccnc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001206852873 813454109 /nfs/dbraw/zinc/45/41/09/813454109.db2.gz JDYXDPGLJWIPQV-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001207000082 813463464 /nfs/dbraw/zinc/46/34/64/813463464.db2.gz UNCMBSUGOKPXRH-LLCTXKFZSA-N 2 1 264.457 3.397 20 0 CGADMP CC(C)c1nc(C[N@H+](C)CCC2CC[NH+](C)CC2)cs1 ZINC001207487287 813574824 /nfs/dbraw/zinc/57/48/24/813574824.db2.gz WWJKBWLJARBPEX-UHFFFAOYSA-N 2 1 295.496 3.430 20 0 CGADMP CC(C)c1nc(C[N@@H+](C)CCC2CC[NH+](C)CC2)cs1 ZINC001207487287 813574829 /nfs/dbraw/zinc/57/48/29/813574829.db2.gz WWJKBWLJARBPEX-UHFFFAOYSA-N 2 1 295.496 3.430 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC001207589836 813601624 /nfs/dbraw/zinc/60/16/24/813601624.db2.gz UTTOSAPLKZOGSG-HUUCEWRRSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001208108648 813694828 /nfs/dbraw/zinc/69/48/28/813694828.db2.gz XOELVEFKBNMTEI-UHFFFAOYSA-N 2 1 274.399 3.086 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001208183011 813733616 /nfs/dbraw/zinc/73/36/16/813733616.db2.gz WLXCMTOCWABICM-IAGOWNOFSA-N 2 1 276.468 3.397 20 0 CGADMP C[NH+](C)CC1(C[N@H+](C)Cc2cccs2)CCCC1 ZINC001208192301 813737991 /nfs/dbraw/zinc/73/79/91/813737991.db2.gz SXXPFDSDCNEJRG-UHFFFAOYSA-N 2 1 266.454 3.302 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)Cc2cccs2)CCCC1 ZINC001208192301 813737994 /nfs/dbraw/zinc/73/79/94/813737994.db2.gz SXXPFDSDCNEJRG-UHFFFAOYSA-N 2 1 266.454 3.302 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208605682 813771575 /nfs/dbraw/zinc/77/15/75/813771575.db2.gz CLPSXFLJHQABRS-DOTOQJQBSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208605682 813771579 /nfs/dbraw/zinc/77/15/79/813771579.db2.gz CLPSXFLJHQABRS-DOTOQJQBSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208605682 813771583 /nfs/dbraw/zinc/77/15/83/813771583.db2.gz CLPSXFLJHQABRS-DOTOQJQBSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208605682 813771586 /nfs/dbraw/zinc/77/15/86/813771586.db2.gz CLPSXFLJHQABRS-DOTOQJQBSA-N 2 1 288.435 3.174 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(C)c(C)c2)CC1 ZINC001208602319 813771693 /nfs/dbraw/zinc/77/16/93/813771693.db2.gz BCRHYNIMINRLJW-UHFFFAOYSA-N 2 1 274.452 3.467 20 0 CGADMP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208608791 813772821 /nfs/dbraw/zinc/77/28/21/813772821.db2.gz SJHZLTSQQMUVRF-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208608791 813772826 /nfs/dbraw/zinc/77/28/26/813772826.db2.gz SJHZLTSQQMUVRF-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208608791 813772832 /nfs/dbraw/zinc/77/28/32/813772832.db2.gz SJHZLTSQQMUVRF-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208608791 813772838 /nfs/dbraw/zinc/77/28/38/813772838.db2.gz SJHZLTSQQMUVRF-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607635 813772920 /nfs/dbraw/zinc/77/29/20/813772920.db2.gz DRDDBLKUDWRCTN-HOCLYGCPSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607635 813772925 /nfs/dbraw/zinc/77/29/25/813772925.db2.gz DRDDBLKUDWRCTN-HOCLYGCPSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607635 813772932 /nfs/dbraw/zinc/77/29/32/813772932.db2.gz DRDDBLKUDWRCTN-HOCLYGCPSA-N 2 1 292.854 3.471 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccccc2)C1 ZINC001208609727 813773407 /nfs/dbraw/zinc/77/34/07/813773407.db2.gz WZXVWUJZSAFPNU-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccccc2)C1 ZINC001208609727 813773413 /nfs/dbraw/zinc/77/34/13/813773413.db2.gz WZXVWUJZSAFPNU-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2)C1 ZINC001208609727 813773418 /nfs/dbraw/zinc/77/34/18/813773418.db2.gz WZXVWUJZSAFPNU-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2)C1 ZINC001208609727 813773423 /nfs/dbraw/zinc/77/34/23/813773423.db2.gz WZXVWUJZSAFPNU-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001208608579 813774813 /nfs/dbraw/zinc/77/48/13/813774813.db2.gz QQNYYVWAOASLDE-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001208608579 813774817 /nfs/dbraw/zinc/77/48/17/813774817.db2.gz QQNYYVWAOASLDE-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001208608579 813774824 /nfs/dbraw/zinc/77/48/24/813774824.db2.gz QQNYYVWAOASLDE-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)CC(C)(C)C ZINC001208665246 813789353 /nfs/dbraw/zinc/78/93/53/813789353.db2.gz PMRKGIWBSBTPOQ-DOTOQJQBSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)CC(C)(C)C ZINC001208665246 813789357 /nfs/dbraw/zinc/78/93/57/813789357.db2.gz PMRKGIWBSBTPOQ-DOTOQJQBSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC001208665246 813789363 /nfs/dbraw/zinc/78/93/63/813789363.db2.gz PMRKGIWBSBTPOQ-DOTOQJQBSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC001208711583 813809166 /nfs/dbraw/zinc/80/91/66/813809166.db2.gz VRWLYYSGPDDPSZ-RYQLBKOJSA-N 2 1 294.442 3.437 20 0 CGADMP C[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC001208711583 813809172 /nfs/dbraw/zinc/80/91/72/813809172.db2.gz VRWLYYSGPDDPSZ-RYQLBKOJSA-N 2 1 294.442 3.437 20 0 CGADMP C[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC001208711583 813809179 /nfs/dbraw/zinc/80/91/79/813809179.db2.gz VRWLYYSGPDDPSZ-RYQLBKOJSA-N 2 1 294.442 3.437 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCCCCOCc1ccccc1 ZINC001208803231 813852876 /nfs/dbraw/zinc/85/28/76/813852876.db2.gz DYIBBZLASQGAPN-UHFFFAOYSA-N 2 1 292.467 3.257 20 0 CGADMP C1=CO[C@H](C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001208881036 813878646 /nfs/dbraw/zinc/87/86/46/813878646.db2.gz TXTVXLRAEDWKJW-IRXDYDNUSA-N 2 1 278.440 3.020 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208941181 813907689 /nfs/dbraw/zinc/90/76/89/813907689.db2.gz IZQSGSIONDFVOP-QRVBRYPASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208941181 813907696 /nfs/dbraw/zinc/90/76/96/813907696.db2.gz IZQSGSIONDFVOP-QRVBRYPASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208941181 813907706 /nfs/dbraw/zinc/90/77/06/813907706.db2.gz IZQSGSIONDFVOP-QRVBRYPASA-N 2 1 284.447 3.240 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCCCc1ccccc1)C2 ZINC001209236371 813980109 /nfs/dbraw/zinc/98/01/09/813980109.db2.gz ZSWMNYPSPWZNHA-RTBURBONSA-N 2 1 286.463 3.283 20 0 CGADMP COC(C)(C)CC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001209406985 814015218 /nfs/dbraw/zinc/01/52/18/814015218.db2.gz VXDHBVVXSHVEII-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209416846 814021821 /nfs/dbraw/zinc/02/18/21/814021821.db2.gz SWHVAUAJPWWXQB-FUHWJXTLSA-N 2 1 299.462 3.026 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3ccc(C)cc23)CC1 ZINC001209500144 814063977 /nfs/dbraw/zinc/06/39/77/814063977.db2.gz RVGSASCIBWWRTG-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3ccc(C)cc23)CC1 ZINC001209500144 814063982 /nfs/dbraw/zinc/06/39/82/814063982.db2.gz RVGSASCIBWWRTG-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+](C)Cc1c[nH+]ccc1N ZINC001209737566 814124936 /nfs/dbraw/zinc/12/49/36/814124936.db2.gz ORVHEARQSRBSBI-MRXNPFEDSA-N 2 1 255.365 3.077 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209737566 814124940 /nfs/dbraw/zinc/12/49/40/814124940.db2.gz ORVHEARQSRBSBI-MRXNPFEDSA-N 2 1 255.365 3.077 20 0 CGADMP C[N@@H+]1CCc2ccc(Nc3ccc4[nH]c[nH+]c4c3)cc2C1 ZINC001209850318 814170204 /nfs/dbraw/zinc/17/02/04/814170204.db2.gz KZKVLKBESGDYHH-UHFFFAOYSA-N 2 1 278.359 3.294 20 0 CGADMP C[N@H+]1CCc2ccc(Nc3ccc4[nH]c[nH+]c4c3)cc2C1 ZINC001209850318 814170207 /nfs/dbraw/zinc/17/02/07/814170207.db2.gz KZKVLKBESGDYHH-UHFFFAOYSA-N 2 1 278.359 3.294 20 0 CGADMP CC[NH2+]CC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC001210580232 814540786 /nfs/dbraw/zinc/54/07/86/814540786.db2.gz GTWBKIWFYOCYGZ-UHFFFAOYSA-N 2 1 260.425 3.431 20 0 CGADMP CC[NH2+]CC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001210580232 814540790 /nfs/dbraw/zinc/54/07/90/814540790.db2.gz GTWBKIWFYOCYGZ-UHFFFAOYSA-N 2 1 260.425 3.431 20 0 CGADMP COc1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)[nH+]cc1C ZINC001210708456 814592413 /nfs/dbraw/zinc/59/24/13/814592413.db2.gz MGXZFQBIFZKBGS-HNNXBMFYSA-N 2 1 287.407 3.343 20 0 CGADMP CNc1cc(Nc2ccc(Cn3cc[nH+]c3C)cc2)cc[nH+]1 ZINC001216334601 815788402 /nfs/dbraw/zinc/78/84/02/815788402.db2.gz JYRAMFUVMCYNSF-UHFFFAOYSA-N 2 1 293.374 3.420 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001222142225 816360272 /nfs/dbraw/zinc/36/02/72/816360272.db2.gz YAWSFWYINGISSZ-IBGZPJMESA-N 2 1 286.463 3.430 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)C(F)(F)F ZINC001222160029 816364781 /nfs/dbraw/zinc/36/47/81/816364781.db2.gz CGHREIISQKYCQK-UONOGXRCSA-N 2 1 292.389 3.431 20 0 CGADMP CCOC(C)(C)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161913 816366434 /nfs/dbraw/zinc/36/64/34/816366434.db2.gz SWJQNPQUKDHRBZ-QGZVFWFLSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)o1 ZINC001222231411 816379102 /nfs/dbraw/zinc/37/91/02/816379102.db2.gz LWAZQDFAMYNCLP-WMLDXEAASA-N 2 1 276.424 3.300 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)o1 ZINC001222231411 816379108 /nfs/dbraw/zinc/37/91/08/816379108.db2.gz LWAZQDFAMYNCLP-WMLDXEAASA-N 2 1 276.424 3.300 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001222231842 816380715 /nfs/dbraw/zinc/38/07/15/816380715.db2.gz PVUXEJCWEJSQOE-GVDBMIGSSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1C ZINC001222237932 816383560 /nfs/dbraw/zinc/38/35/60/816383560.db2.gz XFNYVSJJFXBROC-KRWDZBQOSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1C ZINC001222237932 816383568 /nfs/dbraw/zinc/38/35/68/816383568.db2.gz XFNYVSJJFXBROC-KRWDZBQOSA-N 2 1 258.409 3.021 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)o1 ZINC001222253970 816387541 /nfs/dbraw/zinc/38/75/41/816387541.db2.gz UEKZDPKYUPMMIX-QGZVFWFLSA-N 2 1 270.376 3.151 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@@]23CCC[NH2+]C3)o1 ZINC001222253970 816387547 /nfs/dbraw/zinc/38/75/47/816387547.db2.gz UEKZDPKYUPMMIX-QGZVFWFLSA-N 2 1 270.376 3.151 20 0 CGADMP Fc1ccccc1CCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222258699 816388981 /nfs/dbraw/zinc/38/89/81/816388981.db2.gz FQELJKPHFWTADR-SFHVURJKSA-N 2 1 290.426 3.224 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc(C)c1F ZINC001222272644 816392395 /nfs/dbraw/zinc/39/23/95/816392395.db2.gz YBPBAPJNRCFBQE-SFHVURJKSA-N 2 1 290.426 3.408 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc(C)c1F ZINC001222272644 816392402 /nfs/dbraw/zinc/39/24/02/816392402.db2.gz YBPBAPJNRCFBQE-SFHVURJKSA-N 2 1 290.426 3.408 20 0 CGADMP c1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc2c1CCC2 ZINC001222293518 816399580 /nfs/dbraw/zinc/39/95/80/816399580.db2.gz VHTYOKRGFKDMEQ-UHFFFAOYSA-N 2 1 284.447 3.283 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1F ZINC001222309250 816403661 /nfs/dbraw/zinc/40/36/61/816403661.db2.gz OYNVXHAOJKMIFY-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)c1)CCC2 ZINC001222320133 816408976 /nfs/dbraw/zinc/40/89/76/816408976.db2.gz AQAPKSBOWHKAOA-LJQANCHMSA-N 2 1 284.447 3.283 20 0 CGADMP C(C[N@H+]1CCCC2(CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC001222400719 816433511 /nfs/dbraw/zinc/43/35/11/816433511.db2.gz FONXNWCEAYMINC-OAHLLOKOSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@@H](CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222464870 816450205 /nfs/dbraw/zinc/45/02/05/816450205.db2.gz GMAGFZZBUDGZDB-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222464870 816450209 /nfs/dbraw/zinc/45/02/09/816450209.db2.gz GMAGFZZBUDGZDB-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+]Cc1cccc(-c2ccc([C@H]3CC[N@@H+](C)C3)cc2)c1 ZINC001242999956 823206547 /nfs/dbraw/zinc/20/65/47/823206547.db2.gz VGZYHCWSWDIISS-IBGZPJMESA-N 2 1 280.415 3.492 20 0 CGADMP C[NH+](C)CC[C@H](OC[C@H]1CCCC[N@H+]1C)c1cccs1 ZINC001224703679 816857844 /nfs/dbraw/zinc/85/78/44/816857844.db2.gz UXVQDQTUUYYWTO-CABCVRRESA-N 2 1 296.480 3.242 20 0 CGADMP CCOC(=[NH2+])CCCCO[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001224964707 816918307 /nfs/dbraw/zinc/91/83/07/816918307.db2.gz BQFAURHFDYYGES-CQSZACIVSA-N 2 1 270.417 3.060 20 0 CGADMP CCOC(=[NH2+])CCCCO[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001224964707 816918311 /nfs/dbraw/zinc/91/83/11/816918311.db2.gz BQFAURHFDYYGES-CQSZACIVSA-N 2 1 270.417 3.060 20 0 CGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(C2=CC[NH2+]C2)nc1 ZINC001243108828 823250252 /nfs/dbraw/zinc/25/02/52/823250252.db2.gz QNRFLKSPUDQWAG-QGZVFWFLSA-N 2 1 271.408 3.005 20 0 CGADMP c1ccc(CCCC[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226785390 817463718 /nfs/dbraw/zinc/46/37/18/817463718.db2.gz RENCPJDDKQYCQS-UHFFFAOYSA-N 2 1 272.436 3.227 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)nc1 ZINC001231640594 818143960 /nfs/dbraw/zinc/14/39/60/818143960.db2.gz IXORAWWAMWHQPU-UHFFFAOYSA-N 2 1 289.467 3.196 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC1(F)F ZINC001232011197 818232187 /nfs/dbraw/zinc/23/21/87/818232187.db2.gz IZYLURBTGQYNAH-SNVBAGLBSA-N 2 1 265.307 3.040 20 0 CGADMP C[C@@H]1C(=O)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C12CCCC2 ZINC001232018377 818234595 /nfs/dbraw/zinc/23/45/95/818234595.db2.gz JUXDEKFXXXYQCA-CYBMUJFWSA-N 2 1 297.402 3.287 20 0 CGADMP C[C@@H]1C(=O)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C12CCCC2 ZINC001232018377 818234600 /nfs/dbraw/zinc/23/46/00/818234600.db2.gz JUXDEKFXXXYQCA-CYBMUJFWSA-N 2 1 297.402 3.287 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc(F)ccn1 ZINC001232494856 818370277 /nfs/dbraw/zinc/37/02/77/818370277.db2.gz GRSPWPZVNRWVEN-IRXDYDNUSA-N 2 1 291.414 3.060 20 0 CGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3[nH+]ccn3c1)C2 ZINC001233755249 818697441 /nfs/dbraw/zinc/69/74/41/818697441.db2.gz QTISEJMGQPLTPX-FOLVSLTJSA-N 2 1 285.391 3.117 20 0 CGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3[nH+]ccn3c1)C2 ZINC001233755249 818697444 /nfs/dbraw/zinc/69/74/44/818697444.db2.gz QTISEJMGQPLTPX-FOLVSLTJSA-N 2 1 285.391 3.117 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994819 818972985 /nfs/dbraw/zinc/97/29/85/818972985.db2.gz SWKRYPIZDJGBRT-SJLPKXTDSA-N 2 1 296.499 3.029 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c(C)c1C ZINC001235030957 818983056 /nfs/dbraw/zinc/98/30/56/818983056.db2.gz JIRFDOYQHKXQPW-FUHWJXTLSA-N 2 1 272.436 3.022 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1(C)C ZINC001235032629 818985110 /nfs/dbraw/zinc/98/51/10/818985110.db2.gz SAPZHJXUOJFRFN-RDJZCZTQSA-N 2 1 262.441 3.054 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1)c1ccccc1 ZINC001235039710 818989087 /nfs/dbraw/zinc/98/90/87/818989087.db2.gz HKXDJWXBGCWOLR-AEFFLSMTSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1cccc(F)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235039664 818989116 /nfs/dbraw/zinc/98/91/16/818989116.db2.gz PCXOCOXLLZPSGI-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235039664 818989120 /nfs/dbraw/zinc/98/91/20/818989120.db2.gz PCXOCOXLLZPSGI-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001235065070 818993038 /nfs/dbraw/zinc/99/30/38/818993038.db2.gz JKIFBCXQCHHJDW-LPHOPBHVSA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001235065070 818993040 /nfs/dbraw/zinc/99/30/40/818993040.db2.gz JKIFBCXQCHHJDW-LPHOPBHVSA-N 2 1 286.463 3.426 20 0 CGADMP Cc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC001235093832 818999736 /nfs/dbraw/zinc/99/97/36/818999736.db2.gz RFVFGQQYKNNSBZ-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091810 818999853 /nfs/dbraw/zinc/99/98/53/818999853.db2.gz CPOZDRMWRUSZQU-UHFFFAOYSA-N 2 1 297.446 3.237 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110004 819005769 /nfs/dbraw/zinc/00/57/69/819005769.db2.gz GPUDYVURNCJCKY-PVAVHDDUSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110004 819005773 /nfs/dbraw/zinc/00/57/73/819005773.db2.gz GPUDYVURNCJCKY-PVAVHDDUSA-N 2 1 290.838 3.271 20 0 CGADMP Fc1ccc(CC[N@@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235139736 819015168 /nfs/dbraw/zinc/01/51/68/819015168.db2.gz CRUGBHNIMDHTRF-UHFFFAOYSA-N 2 1 296.817 3.240 20 0 CGADMP Fc1ccc(CC[N@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235139736 819015174 /nfs/dbraw/zinc/01/51/74/819015174.db2.gz CRUGBHNIMDHTRF-UHFFFAOYSA-N 2 1 296.817 3.240 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156432 819017602 /nfs/dbraw/zinc/01/76/02/819017602.db2.gz PWJZBMWYRHIJNF-OAHLLOKOSA-N 2 1 278.465 3.411 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151613 819018176 /nfs/dbraw/zinc/01/81/76/819018176.db2.gz IGQKDTFMTJEVLN-RANZSIQMSA-N 2 1 274.452 3.053 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235154575 819018592 /nfs/dbraw/zinc/01/85/92/819018592.db2.gz MVSGVRTWTGRGFJ-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP Fc1ccc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235151496 819018821 /nfs/dbraw/zinc/01/88/21/819018821.db2.gz GWVHGVKCTCHDMH-SFHVURJKSA-N 2 1 290.426 3.222 20 0 CGADMP Fc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001235160869 819020174 /nfs/dbraw/zinc/02/01/74/819020174.db2.gz ZYDSHGUKQPQHSD-INIZCTEOSA-N 2 1 294.389 3.319 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001235171295 819022551 /nfs/dbraw/zinc/02/25/51/819022551.db2.gz IUIAIDSMDFBHDN-IBGZPJMESA-N 2 1 284.447 3.010 20 0 CGADMP c1cc2cccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c2[nH]1 ZINC001235176053 819024075 /nfs/dbraw/zinc/02/40/75/819024075.db2.gz CIXZDFFERZJXGR-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2cccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c2[nH]1 ZINC001235176053 819024083 /nfs/dbraw/zinc/02/40/83/819024083.db2.gz CIXZDFFERZJXGR-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)sc1C ZINC001235178863 819026110 /nfs/dbraw/zinc/02/61/10/819026110.db2.gz PJGAMVUGPZFHFY-MRXNPFEDSA-N 2 1 278.465 3.473 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)sc1C ZINC001235178863 819026118 /nfs/dbraw/zinc/02/61/18/819026118.db2.gz PJGAMVUGPZFHFY-MRXNPFEDSA-N 2 1 278.465 3.473 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)ccc1Oc1ccccc1 ZINC001235208997 819036594 /nfs/dbraw/zinc/03/65/94/819036594.db2.gz GBZOLMTYJSTRTO-DZFIZOCASA-N 2 1 294.398 3.176 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)ccc1Oc1ccccc1 ZINC001235208997 819036603 /nfs/dbraw/zinc/03/66/03/819036603.db2.gz GBZOLMTYJSTRTO-DZFIZOCASA-N 2 1 294.398 3.176 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235246500 819046215 /nfs/dbraw/zinc/04/62/15/819046215.db2.gz YDIMCQOQVWCCHO-QZTJIDSGSA-N 2 1 272.436 3.198 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235246500 819046220 /nfs/dbraw/zinc/04/62/20/819046220.db2.gz YDIMCQOQVWCCHO-QZTJIDSGSA-N 2 1 272.436 3.198 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001235241395 819046420 /nfs/dbraw/zinc/04/64/20/819046420.db2.gz TUNNJFAUQNOAEZ-GDBMZVCRSA-N 2 1 278.827 3.086 20 0 CGADMP Clc1ccc(CC[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235338678 819071122 /nfs/dbraw/zinc/07/11/22/819071122.db2.gz BVGIWQZZQWHOLM-LBPRGKRZSA-N 2 1 299.245 3.077 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235425187 819092624 /nfs/dbraw/zinc/09/26/24/819092624.db2.gz ILWQXZUVIPGEQG-IRXDYDNUSA-N 2 1 290.426 3.346 20 0 CGADMP CC(C)c1cc(Br)cc(C[N@@H+](C)CCC[NH3+])c1 ZINC001235442418 819100050 /nfs/dbraw/zinc/10/00/50/819100050.db2.gz LDHMSQRMXXAIEQ-UHFFFAOYSA-N 2 1 299.256 3.353 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001235446604 819101259 /nfs/dbraw/zinc/10/12/59/819101259.db2.gz YVGRHDXJDUGODD-WBVHZDCISA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001235446604 819101262 /nfs/dbraw/zinc/10/12/62/819101262.db2.gz YVGRHDXJDUGODD-WBVHZDCISA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC001235608745 819124985 /nfs/dbraw/zinc/12/49/85/819124985.db2.gz UBXNQNIZHDDJBS-SFHVURJKSA-N 2 1 298.474 3.417 20 0 CGADMP CCCC[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccccc1 ZINC001235664336 819132591 /nfs/dbraw/zinc/13/25/91/819132591.db2.gz RCFUXEZSSKMLSG-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1c(C)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1Cl ZINC001235673763 819133652 /nfs/dbraw/zinc/13/36/52/819133652.db2.gz DARGNJOANQMCBZ-ZDUSSCGKSA-N 2 1 266.816 3.128 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001235674274 819135675 /nfs/dbraw/zinc/13/56/75/819135675.db2.gz DOXKGWQGXDPTOT-HXUWFJFHSA-N 2 1 294.442 3.448 20 0 CGADMP c1ccc(O[C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235689847 819142154 /nfs/dbraw/zinc/14/21/54/819142154.db2.gz DFZUGVGCYJLYKY-SJLPKXTDSA-N 2 1 288.435 3.062 20 0 CGADMP C[C@@H]([NH3+])C[NH+]1CCC(CCc2ccc(Cl)cc2)CC1 ZINC001235694649 819143193 /nfs/dbraw/zinc/14/31/93/819143193.db2.gz HIPVDWAJWUNDMQ-CYBMUJFWSA-N 2 1 280.843 3.332 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235694767 819143705 /nfs/dbraw/zinc/14/37/05/819143705.db2.gz TXWKQPLYDURINB-SFHVURJKSA-N 2 1 272.436 3.487 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)sc1C ZINC001235717980 819151664 /nfs/dbraw/zinc/15/16/64/819151664.db2.gz QTDMKICOGOBNKI-UHFFFAOYSA-N 2 1 266.454 3.186 20 0 CGADMP Cc1cc(F)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c(F)c1 ZINC001235718281 819151805 /nfs/dbraw/zinc/15/18/05/819151805.db2.gz VUIVEKVIDGOHHA-UHFFFAOYSA-N 2 1 282.378 3.095 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235718262 819151890 /nfs/dbraw/zinc/15/18/90/819151890.db2.gz UWZWUIVHECLKKA-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC001235725151 819153746 /nfs/dbraw/zinc/15/37/46/819153746.db2.gz HWDQQOWAVKFITP-MRXNPFEDSA-N 2 1 284.378 3.274 20 0 CGADMP CCCCc1ccc(C[NH+]2CCC([NH2+]C)CC2)s1 ZINC001235788144 819167851 /nfs/dbraw/zinc/16/78/51/819167851.db2.gz DJFVPFWAICTFCH-UHFFFAOYSA-N 2 1 266.454 3.275 20 0 CGADMP Clc1ccc([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001235881106 819194630 /nfs/dbraw/zinc/19/46/30/819194630.db2.gz DULAKUPAVOVOLG-YPMHNXCESA-N 2 1 299.245 3.392 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001235881106 819194634 /nfs/dbraw/zinc/19/46/34/819194634.db2.gz DULAKUPAVOVOLG-YPMHNXCESA-N 2 1 299.245 3.392 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCCCCc1ccccc1 ZINC001235892197 819202452 /nfs/dbraw/zinc/20/24/52/819202452.db2.gz MFIVYSTYZFRELB-NVXWUHKLSA-N 2 1 260.425 3.211 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]3CCC[C@H]31)CC[NH2+]C2 ZINC001235894190 819204589 /nfs/dbraw/zinc/20/45/89/819204589.db2.gz VHLIXJHSBSTTMI-MAUKXSAKSA-N 2 1 270.420 3.097 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001235894446 819204832 /nfs/dbraw/zinc/20/48/32/819204832.db2.gz WYQTXNJJLIFURW-HZPDHXFCSA-N 2 1 262.441 3.031 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235924932 819223128 /nfs/dbraw/zinc/22/31/28/819223128.db2.gz CTQFKKBABMVBAL-INIZCTEOSA-N 2 1 276.424 3.179 20 0 CGADMP CCCC[C@H](CC)C[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235936696 819232091 /nfs/dbraw/zinc/23/20/91/819232091.db2.gz UWFWMZPASFSOLT-INIZCTEOSA-N 2 1 284.488 3.293 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001235947799 819237395 /nfs/dbraw/zinc/23/73/95/819237395.db2.gz LAWIFECFEZEOIJ-CQSZACIVSA-N 2 1 266.816 3.258 20 0 CGADMP CC1(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001235949883 819238838 /nfs/dbraw/zinc/23/88/38/819238838.db2.gz WPASYYOKIDYVRX-OAHLLOKOSA-N 2 1 276.399 3.005 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(F)CC[NH2+]CC1 ZINC001235949545 819239507 /nfs/dbraw/zinc/23/95/07/819239507.db2.gz OMINNSUZNBFVDV-LBPRGKRZSA-N 2 1 284.806 3.425 20 0 CGADMP Cc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cccc1C(F)(F)F ZINC001235960360 819249737 /nfs/dbraw/zinc/24/97/37/819249737.db2.gz UQOLAGWCGOXSSM-AGGWBTHJSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cccc1C(F)(F)F ZINC001235960360 819249742 /nfs/dbraw/zinc/24/97/42/819249742.db2.gz UQOLAGWCGOXSSM-AGGWBTHJSA-N 2 1 298.352 3.183 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235979981 819256678 /nfs/dbraw/zinc/25/66/78/819256678.db2.gz PFPLNYVDDFPZBH-GJZGRUSLSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235979981 819256683 /nfs/dbraw/zinc/25/66/83/819256683.db2.gz PFPLNYVDDFPZBH-GJZGRUSLSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235981492 819256838 /nfs/dbraw/zinc/25/68/38/819256838.db2.gz WFGGRDPJGDAQDR-GJZGRUSLSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235981492 819256840 /nfs/dbraw/zinc/25/68/40/819256840.db2.gz WFGGRDPJGDAQDR-GJZGRUSLSA-N 2 1 298.352 3.061 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(C)c1C ZINC001235996924 819265547 /nfs/dbraw/zinc/26/55/47/819265547.db2.gz YROFFBZEQLLVGX-WMZOPIPTSA-N 2 1 272.436 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(C)c1C ZINC001235996924 819265551 /nfs/dbraw/zinc/26/55/51/819265551.db2.gz YROFFBZEQLLVGX-WMZOPIPTSA-N 2 1 272.436 3.152 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1F ZINC001236005659 819270362 /nfs/dbraw/zinc/27/03/62/819270362.db2.gz MIEJOFNRXZZZIZ-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP CC1(C)C[N@@H+](CC[C@@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001236085398 819306972 /nfs/dbraw/zinc/30/69/72/819306972.db2.gz PTSHZAAOSWZGJR-INIZCTEOSA-N 2 1 272.436 3.312 20 0 CGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001236097583 819316136 /nfs/dbraw/zinc/31/61/36/819316136.db2.gz LDRHBXCDOBLNIS-IRXDYDNUSA-N 2 1 288.435 3.017 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C2(CC2)C1 ZINC001236154767 819348558 /nfs/dbraw/zinc/34/85/58/819348558.db2.gz SBNNKKYUFQJMQW-AWEZNQCLSA-N 2 1 295.430 3.119 20 0 CGADMP CCC[N@@H+](Cc1cc2ccccc2n1C)C1CC[NH2+]CC1 ZINC001236182383 819359718 /nfs/dbraw/zinc/35/97/18/819359718.db2.gz NTJWRZKHFGUUOO-UHFFFAOYSA-N 2 1 285.435 3.142 20 0 CGADMP CCC[N@@H+](Cc1c[nH]c2c1cccc2C)C1CC[NH2+]CC1 ZINC001236182440 819359741 /nfs/dbraw/zinc/35/97/41/819359741.db2.gz OWFWFZAVMVQOAE-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP CCC[N@@H+](Cc1ccc2occc2c1)C1CC[NH2+]CC1 ZINC001236181692 819360181 /nfs/dbraw/zinc/36/01/81/819360181.db2.gz AYFBJTWRGMNZJC-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236199050 819365516 /nfs/dbraw/zinc/36/55/16/819365516.db2.gz CXANKCZLVCCXNG-SFHVURJKSA-N 2 1 268.404 3.414 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236199050 819365523 /nfs/dbraw/zinc/36/55/23/819365523.db2.gz CXANKCZLVCCXNG-SFHVURJKSA-N 2 1 268.404 3.414 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1C ZINC001236211014 819371734 /nfs/dbraw/zinc/37/17/34/819371734.db2.gz FIUAFYYHCUBELX-HOTGVXAUSA-N 2 1 276.424 3.014 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1C ZINC001236211014 819371738 /nfs/dbraw/zinc/37/17/38/819371738.db2.gz FIUAFYYHCUBELX-HOTGVXAUSA-N 2 1 276.424 3.014 20 0 CGADMP C[N@H+](Cc1c[nH]c2c1cccc2F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211808 819374496 /nfs/dbraw/zinc/37/44/96/819374496.db2.gz JJSKJNIZDKCORF-CABCVRRESA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2c1cccc2F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211808 819374502 /nfs/dbraw/zinc/37/45/02/819374502.db2.gz JJSKJNIZDKCORF-CABCVRRESA-N 2 1 275.371 3.009 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227529 819391162 /nfs/dbraw/zinc/39/11/62/819391162.db2.gz GDFCVRXCTTUMME-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)C3(C)CC[NH2+]CC3)cc21 ZINC001236226440 819391451 /nfs/dbraw/zinc/39/14/51/819391451.db2.gz LQBCNTSZCSPNJV-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP C[N@@H+](Cc1ccc2cccccc1-2)C1(C)CC[NH2+]CC1 ZINC001236226129 819391619 /nfs/dbraw/zinc/39/16/19/819391619.db2.gz JQSYIBJVNRASPW-UHFFFAOYSA-N 2 1 268.404 3.365 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227019 819391901 /nfs/dbraw/zinc/39/19/01/819391901.db2.gz XPJULNYJHRDMCC-UHFFFAOYSA-N 2 1 260.425 3.131 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227098 819391993 /nfs/dbraw/zinc/39/19/93/819391993.db2.gz ZQCJHRYNEWTHNO-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP Cc1ccc([C@@H]2CCCC[N@H+]2CCC2C[NH2+]C2)cc1C ZINC001236244781 819403126 /nfs/dbraw/zinc/40/31/26/819403126.db2.gz NKBYKEKXENLVEU-SFHVURJKSA-N 2 1 272.436 3.440 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321851 819424500 /nfs/dbraw/zinc/42/45/00/819424500.db2.gz QVJKTLZBDJGTMA-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP C[C@H]1C[C@H]1C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367273 819437017 /nfs/dbraw/zinc/43/70/17/819437017.db2.gz LZEVLTTVCDZZFJ-ZFWWWQNUSA-N 2 1 276.399 3.036 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367273 819437020 /nfs/dbraw/zinc/43/70/20/819437020.db2.gz LZEVLTTVCDZZFJ-ZFWWWQNUSA-N 2 1 276.399 3.036 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236379640 819442434 /nfs/dbraw/zinc/44/24/34/819442434.db2.gz DOAWPOVMKPRVGE-RHSMWYFYSA-N 2 1 290.426 3.283 20 0 CGADMP CC[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407569 819454546 /nfs/dbraw/zinc/45/45/46/819454546.db2.gz HCHBSIAAQSVJRC-FRFSOERESA-N 2 1 292.854 3.375 20 0 CGADMP CCCc1ccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236408863 819455775 /nfs/dbraw/zinc/45/57/75/819455775.db2.gz PRLFOCLMKOKXAT-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP CCCc1ccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236408862 819456523 /nfs/dbraw/zinc/45/65/23/819456523.db2.gz PRLFOCLMKOKXAT-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP CC[N@H+](Cc1ccc2cccccc1-2)C[C@H]1CC[NH2+]C1 ZINC001236410687 819457910 /nfs/dbraw/zinc/45/79/10/819457910.db2.gz JDKUQTDVHPGSKM-HNNXBMFYSA-N 2 1 268.404 3.223 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001236415418 819460577 /nfs/dbraw/zinc/46/05/77/819460577.db2.gz OCYUHBMZGFCIQC-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001236415418 819460582 /nfs/dbraw/zinc/46/05/82/819460582.db2.gz OCYUHBMZGFCIQC-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236433663 819476690 /nfs/dbraw/zinc/47/66/90/819476690.db2.gz GTKQTTFCHPMRSB-GOSISDBHSA-N 2 1 298.361 3.459 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236433663 819476693 /nfs/dbraw/zinc/47/66/93/819476693.db2.gz GTKQTTFCHPMRSB-GOSISDBHSA-N 2 1 298.361 3.459 20 0 CGADMP COc1ccc2c(c1)C[N@H+](Cc1ccc(C[NH3+])cc1)CCC2 ZINC001236434066 819477122 /nfs/dbraw/zinc/47/71/22/819477122.db2.gz NURHBXWMUCRIMA-UHFFFAOYSA-N 2 1 296.414 3.102 20 0 CGADMP CS[C@H](C)CC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458672 819486350 /nfs/dbraw/zinc/48/63/50/819486350.db2.gz VKYZQVQKPBEQPM-CYBMUJFWSA-N 2 1 272.502 3.228 20 0 CGADMP CCc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)o1 ZINC001236458783 819486636 /nfs/dbraw/zinc/48/66/36/819486636.db2.gz YBUKMHKHEVZNFX-UHFFFAOYSA-N 2 1 278.440 3.442 20 0 CGADMP Cc1cc(F)cc(C[N@H+](C[C@@H]2C[C@H]2C)C2CC[NH2+]CC2)c1 ZINC001236481555 819497609 /nfs/dbraw/zinc/49/76/09/819497609.db2.gz WYTOHIFBYDQCGB-ZBFHGGJFSA-N 2 1 290.426 3.344 20 0 CGADMP Nc1ccccc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539468 819529208 /nfs/dbraw/zinc/52/92/08/819529208.db2.gz FHZGGRVHRKQUFA-QAQDUYKDSA-N 2 1 287.451 3.141 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3c(c2)CCN3)C2CCC2)CC1 ZINC001236572128 819540942 /nfs/dbraw/zinc/54/09/42/819540942.db2.gz INDSAKLZMGYBKO-SAABIXHNSA-N 2 1 299.462 3.279 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236819977 819606095 /nfs/dbraw/zinc/60/60/95/819606095.db2.gz PCSKBXAJLVOXCX-MWDXBVQZSA-N 2 1 296.499 3.277 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001236820378 819607422 /nfs/dbraw/zinc/60/74/22/819607422.db2.gz RNPUFUKZYLKTPS-LXTVHRRPSA-N 2 1 252.446 3.118 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c(F)cccc34)C[C@@H]12 ZINC001236825819 819608310 /nfs/dbraw/zinc/60/83/10/819608310.db2.gz ARMSTPSDBWZDCQ-MZMPZRCHSA-N 2 1 284.378 3.148 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236826389 819608663 /nfs/dbraw/zinc/60/86/63/819608663.db2.gz CMPIFGZNDWTFKO-GDLCADMTSA-N 2 1 296.867 3.231 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236827494 819609290 /nfs/dbraw/zinc/60/92/90/819609290.db2.gz GFFOWRRLSBVQSG-NVBFEUDRSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236827494 819609291 /nfs/dbraw/zinc/60/92/91/819609291.db2.gz GFFOWRRLSBVQSG-NVBFEUDRSA-N 2 1 299.245 3.471 20 0 CGADMP CCC[N@@H+](Cc1cc(OC)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836820 819616432 /nfs/dbraw/zinc/61/64/32/819616432.db2.gz YCZQXCAWKCIOJT-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cc(OC)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836820 819616435 /nfs/dbraw/zinc/61/64/35/819616435.db2.gz YCZQXCAWKCIOJT-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@@H+](Cc1cc(OC)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836821 819617551 /nfs/dbraw/zinc/61/75/51/819617551.db2.gz YCZQXCAWKCIOJT-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cc(OC)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836821 819617554 /nfs/dbraw/zinc/61/75/54/819617554.db2.gz YCZQXCAWKCIOJT-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237055095 819654825 /nfs/dbraw/zinc/65/48/25/819654825.db2.gz AAOFIKNIYVBARL-SFHVURJKSA-N 2 1 290.451 3.282 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237055220 819655231 /nfs/dbraw/zinc/65/52/31/819655231.db2.gz BLDPWCHVNQDDAD-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237055220 819655235 /nfs/dbraw/zinc/65/52/35/819655235.db2.gz BLDPWCHVNQDDAD-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(C)c1C ZINC001237059307 819657316 /nfs/dbraw/zinc/65/73/16/819657316.db2.gz SOGFWDNLXJSQKV-GOSISDBHSA-N 2 1 290.451 3.181 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc(CC)c1O ZINC001237057919 819657350 /nfs/dbraw/zinc/65/73/50/819657350.db2.gz OPOFPECDNODDLS-GOSISDBHSA-N 2 1 290.451 3.078 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237081344 819661908 /nfs/dbraw/zinc/66/19/08/819661908.db2.gz LDOAQYWVCPTHKI-SFHVURJKSA-N 2 1 290.451 3.343 20 0 CGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cccc2)cc1 ZINC001237082091 819662084 /nfs/dbraw/zinc/66/20/84/819662084.db2.gz OVXSHRSZSSXATF-JLYLLQBASA-N 2 1 295.430 3.179 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237080685 819662271 /nfs/dbraw/zinc/66/22/71/819662271.db2.gz HWZAQZWEFMPNCR-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237080685 819662275 /nfs/dbraw/zinc/66/22/75/819662275.db2.gz HWZAQZWEFMPNCR-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001237081766 819662527 /nfs/dbraw/zinc/66/25/27/819662527.db2.gz MIOFMCDILUIVKW-MRXNPFEDSA-N 2 1 280.843 3.463 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001237081766 819662530 /nfs/dbraw/zinc/66/25/30/819662530.db2.gz MIOFMCDILUIVKW-MRXNPFEDSA-N 2 1 280.843 3.463 20 0 CGADMP c1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc2c1CCC2 ZINC001237146464 819678618 /nfs/dbraw/zinc/67/86/18/819678618.db2.gz RPPDTNWGWUXJNU-IBGZPJMESA-N 2 1 284.447 3.282 20 0 CGADMP c1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc2c1CCC2 ZINC001237146464 819678619 /nfs/dbraw/zinc/67/86/19/819678619.db2.gz RPPDTNWGWUXJNU-IBGZPJMESA-N 2 1 284.447 3.282 20 0 CGADMP c1cc2c(cc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1)CCCN2 ZINC001237154491 819681022 /nfs/dbraw/zinc/68/10/22/819681022.db2.gz CVLQJAYDLLEYOC-GOSISDBHSA-N 2 1 299.462 3.151 20 0 CGADMP c1cc2c(cc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1)CCCN2 ZINC001237154491 819681028 /nfs/dbraw/zinc/68/10/28/819681028.db2.gz CVLQJAYDLLEYOC-GOSISDBHSA-N 2 1 299.462 3.151 20 0 CGADMP S=C1C=COC1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001237177987 819687223 /nfs/dbraw/zinc/68/72/23/819687223.db2.gz HDYKUABBUNRLQR-CQSZACIVSA-N 2 1 294.464 3.409 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H](N)C[C@H]1C ZINC001237204828 819697993 /nfs/dbraw/zinc/69/79/93/819697993.db2.gz UHTBOLRLDQKJPZ-HIFRSBDPSA-N 2 1 254.377 3.070 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](N)C[C@H]1C ZINC001237204828 819697996 /nfs/dbraw/zinc/69/79/96/819697996.db2.gz UHTBOLRLDQKJPZ-HIFRSBDPSA-N 2 1 254.377 3.070 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204828 819697998 /nfs/dbraw/zinc/69/79/98/819697998.db2.gz UHTBOLRLDQKJPZ-HIFRSBDPSA-N 2 1 254.377 3.070 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204828 819698003 /nfs/dbraw/zinc/69/80/03/819698003.db2.gz UHTBOLRLDQKJPZ-HIFRSBDPSA-N 2 1 254.377 3.070 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237374020 819736179 /nfs/dbraw/zinc/73/61/79/819736179.db2.gz ARSWTKMGGKUVJB-ULQDDVLXSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237374020 819736180 /nfs/dbraw/zinc/73/61/80/819736180.db2.gz ARSWTKMGGKUVJB-ULQDDVLXSA-N 2 1 264.457 3.443 20 0 CGADMP c1cc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2s1 ZINC001237414544 819747391 /nfs/dbraw/zinc/74/73/91/819747391.db2.gz LOAJGBMXNTUSQV-HZPDHXFCSA-N 2 1 286.444 3.475 20 0 CGADMP c1cc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2s1 ZINC001237414544 819747393 /nfs/dbraw/zinc/74/73/93/819747393.db2.gz LOAJGBMXNTUSQV-HZPDHXFCSA-N 2 1 286.444 3.475 20 0 CGADMP Cc1cc(CN(C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC001237719894 819819078 /nfs/dbraw/zinc/81/90/78/819819078.db2.gz YYCPUXUPGZGMHP-UHFFFAOYSA-N 2 1 290.451 3.308 20 0 CGADMP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC001237719894 819819086 /nfs/dbraw/zinc/81/90/86/819819086.db2.gz YYCPUXUPGZGMHP-UHFFFAOYSA-N 2 1 290.451 3.308 20 0 CGADMP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC001237719894 819819094 /nfs/dbraw/zinc/81/90/94/819819094.db2.gz YYCPUXUPGZGMHP-UHFFFAOYSA-N 2 1 290.451 3.308 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C[C@H]1C ZINC001238103643 819932909 /nfs/dbraw/zinc/93/29/09/819932909.db2.gz NWMDYPNRKACZDY-ZIAGYGMSSA-N 2 1 257.381 3.202 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@H]1C ZINC001238103643 819932915 /nfs/dbraw/zinc/93/29/15/819932915.db2.gz NWMDYPNRKACZDY-ZIAGYGMSSA-N 2 1 257.381 3.202 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001238112319 819936309 /nfs/dbraw/zinc/93/63/09/819936309.db2.gz CYLKTMMGZQLWNU-HNNXBMFYSA-N 2 1 292.386 3.109 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001238112319 819936313 /nfs/dbraw/zinc/93/63/13/819936313.db2.gz CYLKTMMGZQLWNU-HNNXBMFYSA-N 2 1 292.386 3.109 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+](C)CCC[NH+](C)C ZINC001238478196 820019217 /nfs/dbraw/zinc/01/92/17/820019217.db2.gz UBSHLKFKQJQFGD-UHFFFAOYSA-N 2 1 278.440 3.166 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(C)cc1OC ZINC001238771372 820112748 /nfs/dbraw/zinc/11/27/48/820112748.db2.gz YASNSAJSZULKRU-UHFFFAOYSA-N 2 1 292.467 3.476 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(C)cc1OC ZINC001238771372 820112752 /nfs/dbraw/zinc/11/27/52/820112752.db2.gz YASNSAJSZULKRU-UHFFFAOYSA-N 2 1 292.467 3.476 20 0 CGADMP c1cc2ccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc2[nH]1 ZINC001240797766 821341223 /nfs/dbraw/zinc/34/12/23/821341223.db2.gz OGRPOURKZVEWOR-UHFFFAOYSA-N 2 1 288.354 3.169 20 0 CGADMP CCOc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241117315 821572143 /nfs/dbraw/zinc/57/21/43/821572143.db2.gz XPNVVUABWSVGLY-UHFFFAOYSA-N 2 1 293.370 3.087 20 0 CGADMP Cc1ccc(C)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241191209 821626863 /nfs/dbraw/zinc/62/68/63/821626863.db2.gz YQBJRVOZKBJEAT-UHFFFAOYSA-N 2 1 277.371 3.305 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C2([NH3+])CCC2)cc1 ZINC001241242647 821663163 /nfs/dbraw/zinc/66/31/63/821663163.db2.gz IADIETXUBHVJIM-UHFFFAOYSA-N 2 1 281.403 3.461 20 0 CGADMP CC[N@@H+]1CC=C(c2cnc(C3=CC[NH+](C)CC3)c(C)c2)CC1 ZINC001241312428 821724144 /nfs/dbraw/zinc/72/41/44/821724144.db2.gz AGHGYXCZMRYHDZ-UHFFFAOYSA-N 2 1 297.446 3.218 20 0 CGADMP CC[NH+]1CC=C(c2cnc(C3=CC[N@H+](C)CC3)c(C)c2)CC1 ZINC001241312428 821724145 /nfs/dbraw/zinc/72/41/45/821724145.db2.gz AGHGYXCZMRYHDZ-UHFFFAOYSA-N 2 1 297.446 3.218 20 0 CGADMP CC[NH+]1CC=C(c2cnc(C3=CC[N@@H+](C)CC3)c(C)c2)CC1 ZINC001241312428 821724149 /nfs/dbraw/zinc/72/41/49/821724149.db2.gz AGHGYXCZMRYHDZ-UHFFFAOYSA-N 2 1 297.446 3.218 20 0 CGADMP [NH3+]Cc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001241502801 821904657 /nfs/dbraw/zinc/90/46/57/821904657.db2.gz BGLVZPHRGATGBD-UHFFFAOYSA-N 2 1 278.399 3.435 20 0 CGADMP CCc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241546231 821935773 /nfs/dbraw/zinc/93/57/73/821935773.db2.gz AORZADMQQPTRSV-UHFFFAOYSA-N 2 1 277.371 3.251 20 0 CGADMP C[N@H+]1CC[C@@H](c2ccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC001242027513 822291592 /nfs/dbraw/zinc/29/15/92/822291592.db2.gz DEWGBFWYRLAVDA-NXHRZFHOSA-N 2 1 268.404 3.013 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001341802884 936451038 /nfs/dbraw/zinc/45/10/38/936451038.db2.gz QFLGJTRIZUQWAF-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC001342997764 936486390 /nfs/dbraw/zinc/48/63/90/936486390.db2.gz FOGRLOCNZUJWHL-ZDUSSCGKSA-N 2 1 280.378 3.287 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]2C1 ZINC001343332424 936495465 /nfs/dbraw/zinc/49/54/65/936495465.db2.gz DHRXBKUKOAGWNZ-DVOMOZLQSA-N 2 1 294.389 3.127 20 0 CGADMP Cc1sccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343333833 936495547 /nfs/dbraw/zinc/49/55/47/936495547.db2.gz PUFJYZALJMQGHX-ARFHVFGLSA-N 2 1 278.465 3.219 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1ccc(O)c(F)c1)C(C)C ZINC001352006634 937031516 /nfs/dbraw/zinc/03/15/16/937031516.db2.gz RSYQBIWLDZWCCJ-UHFFFAOYSA-N 2 1 282.403 3.130 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001355263275 937133039 /nfs/dbraw/zinc/13/30/39/937133039.db2.gz JMFGRVVUZPFBMT-PKKNCYCMSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001355263275 937133042 /nfs/dbraw/zinc/13/30/42/937133042.db2.gz JMFGRVVUZPFBMT-PKKNCYCMSA-N 2 1 294.389 3.283 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)C1 ZINC001356083086 937152482 /nfs/dbraw/zinc/15/24/82/937152482.db2.gz JLGUVHZTYKWLKY-NRSFXHEJSA-N 2 1 270.420 3.125 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001460304580 928744263 /nfs/dbraw/zinc/74/42/63/928744263.db2.gz LQXMJWPXPWSAFQ-HUUCEWRRSA-N 2 1 261.413 3.028 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[N@H+](C)C1CCCC1 ZINC001473993139 937834131 /nfs/dbraw/zinc/83/41/31/937834131.db2.gz SZAOALNVVHJASN-WBVHZDCISA-N 2 1 264.457 3.443 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC001473993139 937834133 /nfs/dbraw/zinc/83/41/33/937834133.db2.gz SZAOALNVVHJASN-WBVHZDCISA-N 2 1 264.457 3.443 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC001461123682 937565433 /nfs/dbraw/zinc/56/54/33/937565433.db2.gz YVRBRHXYOPKLDI-BZUAXINKSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H](c1cccc(O[C@@H]2CCC[N@@H+](C)CC2)c1)[NH+](C)C ZINC001229628149 932180175 /nfs/dbraw/zinc/18/01/75/932180175.db2.gz SYBACARBQQOOCJ-GDBMZVCRSA-N 2 1 276.424 3.172 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccsc2)CC1(C)C ZINC001461833203 937600345 /nfs/dbraw/zinc/60/03/45/937600345.db2.gz XWQOZCQOTZXOAX-AWEZNQCLSA-N 2 1 266.454 3.143 20 0 CGADMP CCC[C@]1(C)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001461969316 937610105 /nfs/dbraw/zinc/61/01/05/937610105.db2.gz PJUBLHGXSROUSQ-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001462019876 937613310 /nfs/dbraw/zinc/61/33/10/937613310.db2.gz XQFIOFAZANWUJE-DLBZAZTESA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2ccc(F)c(F)c2)CC1 ZINC001462041028 937614076 /nfs/dbraw/zinc/61/40/76/937614076.db2.gz QSKOKLNDPYJSNF-UHFFFAOYSA-N 2 1 296.405 3.314 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccc(F)c(F)c2)CC1 ZINC001462041028 937614077 /nfs/dbraw/zinc/61/40/77/937614077.db2.gz QSKOKLNDPYJSNF-UHFFFAOYSA-N 2 1 296.405 3.314 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC001462188301 937623800 /nfs/dbraw/zinc/62/38/00/937623800.db2.gz BWFSHEMWVGDFID-QWHCGFSZSA-N 2 1 280.378 3.427 20 0 CGADMP N[C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C1CC1 ZINC000383667251 932740311 /nfs/dbraw/zinc/74/03/11/932740311.db2.gz SDLOUGZJJFJELH-GOSISDBHSA-N 2 1 280.415 3.221 20 0 CGADMP N[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000383667251 932740318 /nfs/dbraw/zinc/74/03/18/932740318.db2.gz SDLOUGZJJFJELH-GOSISDBHSA-N 2 1 280.415 3.221 20 0 CGADMP COCC1(C[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCC1 ZINC001462163854 937622193 /nfs/dbraw/zinc/62/21/93/937622193.db2.gz PMLGREVSEVCYET-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CCC(CC)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336887936 932825007 /nfs/dbraw/zinc/82/50/07/932825007.db2.gz GGRBMFVFVFPIOF-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CO[C@@H](C[NH2+]CCC[N@@H+](C)CC(C)C)C1CCCCC1 ZINC001462407292 937638796 /nfs/dbraw/zinc/63/87/96/937638796.db2.gz VVUUSESGUZQYLP-KRWDZBQOSA-N 2 1 284.488 3.149 20 0 CGADMP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001462516544 937646647 /nfs/dbraw/zinc/64/66/47/937646647.db2.gz CUGNBCLCZUEWAA-DFGXFYAUSA-N 2 1 276.468 3.419 20 0 CGADMP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001462516544 937646648 /nfs/dbraw/zinc/64/66/48/937646648.db2.gz CUGNBCLCZUEWAA-DFGXFYAUSA-N 2 1 276.468 3.419 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987348 933030963 /nfs/dbraw/zinc/03/09/63/933030963.db2.gz KBMDHKLCYMCOCO-IGCXYCKISA-N 2 1 290.838 3.211 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987348 933030966 /nfs/dbraw/zinc/03/09/66/933030966.db2.gz KBMDHKLCYMCOCO-IGCXYCKISA-N 2 1 290.838 3.211 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987348 933030972 /nfs/dbraw/zinc/03/09/72/933030972.db2.gz KBMDHKLCYMCOCO-IGCXYCKISA-N 2 1 290.838 3.211 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(F)cc1C ZINC001308282442 933087080 /nfs/dbraw/zinc/08/70/80/933087080.db2.gz KOFQYEULBSHZST-UHFFFAOYSA-N 2 1 275.371 3.209 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001308433721 933110172 /nfs/dbraw/zinc/11/01/72/933110172.db2.gz ONTHFGIJXVXMCH-JKSUJKDBSA-N 2 1 264.457 3.443 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001308433721 933110174 /nfs/dbraw/zinc/11/01/74/933110174.db2.gz ONTHFGIJXVXMCH-JKSUJKDBSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001308585643 933138489 /nfs/dbraw/zinc/13/84/89/933138489.db2.gz POMHSSGEHCWPKD-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001308585643 933138490 /nfs/dbraw/zinc/13/84/90/933138490.db2.gz POMHSSGEHCWPKD-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001308585643 933138493 /nfs/dbraw/zinc/13/84/93/933138493.db2.gz POMHSSGEHCWPKD-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001308751459 933169506 /nfs/dbraw/zinc/16/95/06/933169506.db2.gz RQFPIPAEMGYDSP-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001308751459 933169508 /nfs/dbraw/zinc/16/95/08/933169508.db2.gz RQFPIPAEMGYDSP-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CCCCNc1c(C)c[nH+]c2ccccc21 ZINC001319129678 933829786 /nfs/dbraw/zinc/82/97/86/933829786.db2.gz ICAYVAADOJXKHY-UHFFFAOYSA-N 2 1 294.402 3.362 20 0 CGADMP CC[N@H+]1CC[C@@H](NCc2cccc(Cl)c2F)[C@H](C)C1 ZINC001319382031 933866334 /nfs/dbraw/zinc/86/63/34/933866334.db2.gz CQXZTVXZUWBAHP-BXUZGUMPSA-N 2 1 284.806 3.299 20 0 CGADMP C[C@@H]([NH2+]C1(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001320409326 934045366 /nfs/dbraw/zinc/04/53/66/934045366.db2.gz CTLJSHPRZSMWJP-GDBMZVCRSA-N 2 1 258.409 3.039 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC001321264056 934170146 /nfs/dbraw/zinc/17/01/46/934170146.db2.gz UVDUHURLIHOECR-IRXDYDNUSA-N 2 1 292.492 3.382 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001323534109 934404917 /nfs/dbraw/zinc/40/49/17/934404917.db2.gz ISFVJBCEZCTBFV-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001323534109 934404926 /nfs/dbraw/zinc/40/49/26/934404926.db2.gz ISFVJBCEZCTBFV-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001323534109 934404929 /nfs/dbraw/zinc/40/49/29/934404929.db2.gz ISFVJBCEZCTBFV-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001323534109 934404938 /nfs/dbraw/zinc/40/49/38/934404938.db2.gz ISFVJBCEZCTBFV-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323534111 934405598 /nfs/dbraw/zinc/40/55/98/934405598.db2.gz ISFVJBCEZCTBFV-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323534111 934405604 /nfs/dbraw/zinc/40/56/04/934405604.db2.gz ISFVJBCEZCTBFV-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323534111 934405605 /nfs/dbraw/zinc/40/56/05/934405605.db2.gz ISFVJBCEZCTBFV-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323534111 934405609 /nfs/dbraw/zinc/40/56/09/934405609.db2.gz ISFVJBCEZCTBFV-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001323991552 934446584 /nfs/dbraw/zinc/44/65/84/934446584.db2.gz QDUXKQSOUFGRMZ-SZMVWBNQSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNCc1cccn1C1CC1 ZINC001324424270 934500816 /nfs/dbraw/zinc/50/08/16/934500816.db2.gz IMHXORSOIQOULD-HNNXBMFYSA-N 2 1 275.440 3.177 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccn1C1CC1 ZINC001324424270 934500819 /nfs/dbraw/zinc/50/08/19/934500819.db2.gz IMHXORSOIQOULD-HNNXBMFYSA-N 2 1 275.440 3.177 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccn1C1CC1 ZINC001324424270 934500823 /nfs/dbraw/zinc/50/08/23/934500823.db2.gz IMHXORSOIQOULD-HNNXBMFYSA-N 2 1 275.440 3.177 20 0 CGADMP CC[N@@H+](CCCn1ccnc1C)Cc1ccccc1F ZINC001324566867 934525806 /nfs/dbraw/zinc/52/58/06/934525806.db2.gz RJWMAAXPSASNLZ-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1F ZINC001324566867 934525810 /nfs/dbraw/zinc/52/58/10/934525810.db2.gz RJWMAAXPSASNLZ-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1F ZINC001324566867 934525817 /nfs/dbraw/zinc/52/58/17/934525817.db2.gz RJWMAAXPSASNLZ-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC001324849257 934865444 /nfs/dbraw/zinc/86/54/44/934865444.db2.gz XUUFZDMFQFGEKH-RHSMWYFYSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C\C1CC1 ZINC001324969579 934878414 /nfs/dbraw/zinc/87/84/14/934878414.db2.gz RZGOJRNYEJQXGK-AZTIMDOBSA-N 2 1 284.447 3.453 20 0 CGADMP CC[C@@H]([NH2+]CCc1coc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]1 ZINC001326039775 934946055 /nfs/dbraw/zinc/94/60/55/934946055.db2.gz UDOMTTZPLRROSO-SJORKVTESA-N 2 1 299.418 3.004 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001473717489 937818539 /nfs/dbraw/zinc/81/85/39/937818539.db2.gz XOUHEMJAJSEWGA-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328764603 935168010 /nfs/dbraw/zinc/16/80/10/935168010.db2.gz OMJOAERUURJCCX-RDBSUJKOSA-N 2 1 296.480 3.023 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC001328815766 935170928 /nfs/dbraw/zinc/17/09/28/935170928.db2.gz NBEFBPGCGTWNEX-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP c1c2c(oc1-c1ccccc1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC001330545075 935294234 /nfs/dbraw/zinc/29/42/34/935294234.db2.gz POAJGYVEDYTEJB-HNNXBMFYSA-N 2 1 296.414 3.304 20 0 CGADMP c1c2c(oc1-c1ccccc1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC001330545075 935294236 /nfs/dbraw/zinc/29/42/36/935294236.db2.gz POAJGYVEDYTEJB-HNNXBMFYSA-N 2 1 296.414 3.304 20 0 CGADMP C[C@H](COc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331516914 935386998 /nfs/dbraw/zinc/38/69/98/935386998.db2.gz AUVCFMDNZVLXBX-ZIAGYGMSSA-N 2 1 294.414 3.055 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC001333560292 935546769 /nfs/dbraw/zinc/54/67/69/935546769.db2.gz SXRREQMUKOURSE-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC001333560292 935546774 /nfs/dbraw/zinc/54/67/74/935546774.db2.gz SXRREQMUKOURSE-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3(C)CCCC3)C[C@H]2C1 ZINC001333893456 936073942 /nfs/dbraw/zinc/07/39/42/936073942.db2.gz YPCFLIBCHDKKIJ-ARFHVFGLSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H]1Cc2ccccc2C[N@H+]1Cc1[nH]c(C)nc1C ZINC001334076751 936083948 /nfs/dbraw/zinc/08/39/48/936083948.db2.gz OKAXKKHSBMBHCW-INIZCTEOSA-N 2 1 269.392 3.363 20 0 CGADMP CO[C@H](C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccc(F)cc1 ZINC001337838343 936293624 /nfs/dbraw/zinc/29/36/24/936293624.db2.gz NWFQXRSNXXVBEX-JKSUJKDBSA-N 2 1 296.430 3.256 20 0 CGADMP Cc1cccc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[nH+]1 ZINC001337915907 936298056 /nfs/dbraw/zinc/29/80/56/936298056.db2.gz RVGJBKUPYIVIEQ-LSDHHAIUSA-N 2 1 273.424 3.455 20 0 CGADMP Cc1cccc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[nH+]1 ZINC001337915907 936298058 /nfs/dbraw/zinc/29/80/58/936298058.db2.gz RVGJBKUPYIVIEQ-LSDHHAIUSA-N 2 1 273.424 3.455 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C[C@H]1C ZINC001338075995 936304169 /nfs/dbraw/zinc/30/41/69/936304169.db2.gz XVEIBVQKICXYBT-IBEHDNSVSA-N 2 1 252.446 3.274 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC001473936784 937831442 /nfs/dbraw/zinc/83/14/42/937831442.db2.gz FNFCOVIEOBGVLL-MULDZMIYSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC001473936784 937831444 /nfs/dbraw/zinc/83/14/44/937831444.db2.gz FNFCOVIEOBGVLL-MULDZMIYSA-N 2 1 292.373 3.194 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001474139557 937841849 /nfs/dbraw/zinc/84/18/49/937841849.db2.gz LZMMYGZIAOSLPN-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001474139557 937841850 /nfs/dbraw/zinc/84/18/50/937841850.db2.gz LZMMYGZIAOSLPN-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[C@H]1C1CCCC1 ZINC001474301376 937849240 /nfs/dbraw/zinc/84/92/40/937849240.db2.gz KEENPBGIZAKXSO-TWMKSMIVSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)c1 ZINC001474561032 937867194 /nfs/dbraw/zinc/86/71/94/937867194.db2.gz OOJAMJZAKUJKRX-JKSUJKDBSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)c1 ZINC001474561032 937867196 /nfs/dbraw/zinc/86/71/96/937867196.db2.gz OOJAMJZAKUJKRX-JKSUJKDBSA-N 2 1 262.441 3.244 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001521023605 938029439 /nfs/dbraw/zinc/02/94/39/938029439.db2.gz CFXOKTNXJWMJDD-OAHLLOKOSA-N 2 1 273.424 3.172 20 0 CGADMP [NH3+][C@H]1CC[C@@H](C[N@H+]2CCCC3(CCCC3)CC2)C1 ZINC001550350628 938166112 /nfs/dbraw/zinc/16/61/12/938166112.db2.gz YERGUCVLSYEBRJ-CABCVRRESA-N 2 1 250.430 3.160 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550541546 938167659 /nfs/dbraw/zinc/16/76/59/938167659.db2.gz ZEMGVOCUYBTRAI-RDBSUJKOSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccccc1Cl)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550541546 938167660 /nfs/dbraw/zinc/16/76/60/938167660.db2.gz ZEMGVOCUYBTRAI-RDBSUJKOSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccccc1Cl)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550541546 938167661 /nfs/dbraw/zinc/16/76/61/938167661.db2.gz ZEMGVOCUYBTRAI-RDBSUJKOSA-N 2 1 278.827 3.285 20 0 CGADMP CC[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552080783 938190004 /nfs/dbraw/zinc/19/00/04/938190004.db2.gz CVDHWPSONKPZEL-MXASKKJJSA-N 2 1 258.409 3.115 20 0 CGADMP CCNc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001560827690 938278360 /nfs/dbraw/zinc/27/83/60/938278360.db2.gz WMMWENIGLHYYPH-SJPCQFCGSA-N 2 1 287.451 3.175 20 0 CGADMP CCNc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001560827690 938278362 /nfs/dbraw/zinc/27/83/62/938278362.db2.gz WMMWENIGLHYYPH-SJPCQFCGSA-N 2 1 287.451 3.175 20 0 CGADMP CCNc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001560827690 938278363 /nfs/dbraw/zinc/27/83/63/938278363.db2.gz WMMWENIGLHYYPH-SJPCQFCGSA-N 2 1 287.451 3.175 20 0 CGADMP CCNc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001560827690 938278364 /nfs/dbraw/zinc/27/83/64/938278364.db2.gz WMMWENIGLHYYPH-SJPCQFCGSA-N 2 1 287.451 3.175 20 0 CGADMP Cc1coc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001560948331 938285609 /nfs/dbraw/zinc/28/56/09/938285609.db2.gz UNUMCMTWGMXWRP-ZBFHGGJFSA-N 2 1 264.413 3.140 20 0 CGADMP Cc1coc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001560948331 938285610 /nfs/dbraw/zinc/28/56/10/938285610.db2.gz UNUMCMTWGMXWRP-ZBFHGGJFSA-N 2 1 264.413 3.140 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222271283 960403585 /nfs/dbraw/zinc/40/35/85/960403585.db2.gz FDVVTHIBRWQHAP-QGZVFWFLSA-N 2 1 290.476 3.374 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CCO2 ZINC001257201912 960426164 /nfs/dbraw/zinc/42/61/64/960426164.db2.gz MDUYMHQDMQZTMT-MRXNPFEDSA-N 2 1 288.435 3.281 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCc2ccccc2CC1 ZINC001580293066 960487728 /nfs/dbraw/zinc/48/77/28/960487728.db2.gz NQWSTPNZKFSLNE-UHFFFAOYSA-N 2 1 274.452 3.387 20 0 CGADMP C1=C[C@H]([N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCCC1 ZINC001574773518 962322370 /nfs/dbraw/zinc/32/23/70/962322370.db2.gz FAYGSEKPMVMLHH-IKGGRYGDSA-N 2 1 262.441 3.197 20 0 CGADMP C1=C[C@H]([N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCCC1 ZINC001574773522 962326128 /nfs/dbraw/zinc/32/61/28/962326128.db2.gz FAYGSEKPMVMLHH-ZACQAIPSSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+]C2(C[NH3+])CCCC2)s1 ZINC001575274674 962352632 /nfs/dbraw/zinc/35/26/32/962352632.db2.gz ACWBJAFDAFSPBX-UHFFFAOYSA-N 2 1 266.454 3.407 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC001575422255 962373087 /nfs/dbraw/zinc/37/30/87/962373087.db2.gz GPONVFWBDXBARC-CWRNSKLLSA-N 2 1 278.415 3.234 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC2(CCCC2)[C@H]1C(C)C ZINC001575423312 962375550 /nfs/dbraw/zinc/37/55/50/962375550.db2.gz RSQBORQWDMDQOF-HUUCEWRRSA-N 2 1 252.446 3.118 20 0 CGADMP CC(C)[C@H]1CCCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001575499972 962376822 /nfs/dbraw/zinc/37/68/22/962376822.db2.gz GXSPYSKSTABUQL-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001576057874 962429077 /nfs/dbraw/zinc/42/90/77/962429077.db2.gz VDNRLOFPBPEXKJ-GXSJLCMTSA-N 2 1 294.748 3.140 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576309717 962449622 /nfs/dbraw/zinc/44/96/22/962449622.db2.gz COKKCWFZHKUVNM-DJIMGWMZSA-N 2 1 258.409 3.199 20 0 CGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC23CCCC3)[NH2+]C1 ZINC001576421468 962456719 /nfs/dbraw/zinc/45/67/19/962456719.db2.gz LPNOKNMKZTWNIJ-ZIAGYGMSSA-N 2 1 250.430 3.077 20 0 CGADMP CC(C)[N@@H+](CCc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC001576597656 962477884 /nfs/dbraw/zinc/47/78/84/962477884.db2.gz GZPZYGWVSNQWNO-AEFFLSMTSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)[C@@H]1CC[NH3+] ZINC001576708733 962486512 /nfs/dbraw/zinc/48/65/12/962486512.db2.gz IIZDREUJWFYKRG-CXAGYDPISA-N 2 1 271.408 3.117 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC2(CC[NH2+]CC2)O1 ZINC001576800582 962493339 /nfs/dbraw/zinc/49/33/39/962493339.db2.gz KJWYJFUGIKDZJB-JKSUJKDBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001576749568 962493939 /nfs/dbraw/zinc/49/39/39/962493939.db2.gz RMGGUPZKTACMJC-VXEMLPKJSA-N 2 1 294.483 3.090 20 0 CGADMP CC[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H]1C ZINC001577262599 962517600 /nfs/dbraw/zinc/51/76/00/962517600.db2.gz KAFHAMZVVYOQNQ-NEPJUHHUSA-N 2 1 264.438 3.014 20 0 CGADMP CCC1(C)CCC([NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)CC1 ZINC001577204793 962518655 /nfs/dbraw/zinc/51/86/55/962518655.db2.gz ARRLJPSDVKKHFP-XAOLJHCVSA-N 2 1 252.446 3.321 20 0 CGADMP CC[C@H]1C[N@H+](Cc2c(C)cccc2Cl)CC[C@H]1[NH3+] ZINC001577279522 962527320 /nfs/dbraw/zinc/52/73/20/962527320.db2.gz JTFHUOWYLFLSRE-SWLSCSKDSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2c(C)cccc2Cl)CC[C@H]1[NH3+] ZINC001577279522 962527327 /nfs/dbraw/zinc/52/73/27/962527327.db2.gz JTFHUOWYLFLSRE-SWLSCSKDSA-N 2 1 266.816 3.208 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC001577377404 962534338 /nfs/dbraw/zinc/53/43/38/962534338.db2.gz MPVMLXIZOZJWCU-ZJIFWQFVSA-N 2 1 252.446 3.181 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC001578176326 962573498 /nfs/dbraw/zinc/57/34/98/962573498.db2.gz BKWGSSHYEHRZIG-QGZVFWFLSA-N 2 1 278.440 3.199 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001578266540 962587630 /nfs/dbraw/zinc/58/76/30/962587630.db2.gz KUKIXJPMXSKVRM-RRQGHBQHSA-N 2 1 290.426 3.254 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)[nH]c2c1 ZINC001579739831 962661015 /nfs/dbraw/zinc/66/10/15/962661015.db2.gz BQMNKTLLUZSNRB-HIFRSBDPSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001579795334 962668375 /nfs/dbraw/zinc/66/83/75/962668375.db2.gz NPYWMHAQYQIBIC-CVEARBPZSA-N 2 1 260.425 3.015 20 0 CGADMP Cc1ccccc1OCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC001579804877 962676898 /nfs/dbraw/zinc/67/68/98/962676898.db2.gz PMIKBWUAGGLNKB-ZACQAIPSSA-N 2 1 290.451 3.069 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001579938938 962687529 /nfs/dbraw/zinc/68/75/29/962687529.db2.gz NZGKFCRWVXWULF-CVEARBPZSA-N 2 1 292.854 3.204 20 0 CGADMP Fc1cccc(F)c1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001580033373 962688056 /nfs/dbraw/zinc/68/80/56/962688056.db2.gz KCNTWCISAYILCH-MRXNPFEDSA-N 2 1 294.389 3.162 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)C1CCCCC1 ZINC001580228462 962704470 /nfs/dbraw/zinc/70/44/70/962704470.db2.gz BSVHPFAZTCWCPB-RBUKOAKNSA-N 2 1 286.463 3.431 20 0 CGADMP c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC001580892922 962738972 /nfs/dbraw/zinc/73/89/72/962738972.db2.gz MBOJQPOFDBZMKN-QRVBRYPASA-N 2 1 284.447 3.083 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337394876 214051607 /nfs/dbraw/zinc/05/16/07/214051607.db2.gz MWULUHMQXXKXBS-HNNXBMFYSA-N 2 1 292.471 3.381 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000337488449 214114577 /nfs/dbraw/zinc/11/45/77/214114577.db2.gz UOGPISHRJZLBIN-ROUUACIJSA-N 2 1 284.447 3.431 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000651218735 398217637 /nfs/dbraw/zinc/21/76/37/398217637.db2.gz JTDHPMZQXLQBMO-CHWSQXEVSA-N 2 1 251.418 3.242 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccs1)C1CC1 ZINC000124862070 187158545 /nfs/dbraw/zinc/15/85/45/187158545.db2.gz SLYAYHYAZTZMLC-UHFFFAOYSA-N 2 1 275.421 3.308 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccs1)C1CC1 ZINC000124862070 187158546 /nfs/dbraw/zinc/15/85/46/187158546.db2.gz SLYAYHYAZTZMLC-UHFFFAOYSA-N 2 1 275.421 3.308 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000651646068 398261921 /nfs/dbraw/zinc/26/19/21/398261921.db2.gz NIDRHGWFDSEHMV-INIZCTEOSA-N 2 1 286.463 3.339 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651669469 398265625 /nfs/dbraw/zinc/26/56/25/398265625.db2.gz VYYJQQQKKWPPCJ-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2C)C1 ZINC000651692748 398270167 /nfs/dbraw/zinc/27/01/67/398270167.db2.gz QBZCCUWLTAXCIY-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622005014 349620526 /nfs/dbraw/zinc/62/05/26/349620526.db2.gz XTBAKZBCEXYOMF-DYVFJYSZSA-N 2 1 270.376 3.054 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622005014 349620529 /nfs/dbraw/zinc/62/05/29/349620529.db2.gz XTBAKZBCEXYOMF-DYVFJYSZSA-N 2 1 270.376 3.054 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000337946749 214325570 /nfs/dbraw/zinc/32/55/70/214325570.db2.gz VMIMUSGVFMCPJZ-RQOWECAXSA-N 2 1 273.355 3.024 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000651864999 398297943 /nfs/dbraw/zinc/29/79/43/398297943.db2.gz KOTSJSABYVCZCI-OKZBNKHCSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]CCC[N@@H+](C)CC(C)C)s1 ZINC000651865806 398298742 /nfs/dbraw/zinc/29/87/42/398298742.db2.gz INWMODWEAQDLAV-UHFFFAOYSA-N 2 1 297.512 3.409 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]CCC[N@H+](C)CC(C)C)s1 ZINC000651865806 398298744 /nfs/dbraw/zinc/29/87/44/398298744.db2.gz INWMODWEAQDLAV-UHFFFAOYSA-N 2 1 297.512 3.409 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338018768 214364157 /nfs/dbraw/zinc/36/41/57/214364157.db2.gz LWSTVECSNDYZHR-DZGCQCFKSA-N 2 1 251.418 3.386 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H]1CCCF)C(C)C ZINC000337998312 214353078 /nfs/dbraw/zinc/35/30/78/214353078.db2.gz RZBRKWBWJPKBKJ-GJZGRUSLSA-N 2 1 258.425 3.225 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H]1CCCF)C(C)C ZINC000337998312 214353080 /nfs/dbraw/zinc/35/30/80/214353080.db2.gz RZBRKWBWJPKBKJ-GJZGRUSLSA-N 2 1 258.425 3.225 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000652190709 398326729 /nfs/dbraw/zinc/32/67/29/398326729.db2.gz YFFFDROSGRJAEM-CYBMUJFWSA-N 2 1 293.773 3.032 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423486581 529453952 /nfs/dbraw/zinc/45/39/52/529453952.db2.gz ZOMSWKUAVIJMQR-KBPBESRZSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@H](F)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000440494107 529438798 /nfs/dbraw/zinc/43/87/98/529438798.db2.gz ZPQJULSSQAEUSE-BHYGNILZSA-N 2 1 278.415 3.235 20 0 CGADMP CCc1ccccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283132 529579418 /nfs/dbraw/zinc/57/94/18/529579418.db2.gz AULZCDQIOIKEQR-OAHLLOKOSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1C(F)(F)F ZINC000623085834 349757920 /nfs/dbraw/zinc/75/79/20/349757920.db2.gz IDLZZZMDJAUVOH-UHFFFAOYSA-N 2 1 297.324 3.080 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000350893321 219069275 /nfs/dbraw/zinc/06/92/75/219069275.db2.gz GEOMNLJIHFQLTE-SJORKVTESA-N 2 1 294.483 3.047 20 0 CGADMP C[N@@H+](CCCN[C@H]1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346126 349784329 /nfs/dbraw/zinc/78/43/29/349784329.db2.gz HAQUOKSMSFPQRN-INIZCTEOSA-N 3 1 295.515 3.103 20 0 CGADMP C[NH+](CCCN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346126 349784334 /nfs/dbraw/zinc/78/43/34/349784334.db2.gz HAQUOKSMSFPQRN-INIZCTEOSA-N 3 1 295.515 3.103 20 0 CGADMP C[NH+](CCCN[C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346126 349784338 /nfs/dbraw/zinc/78/43/38/349784338.db2.gz HAQUOKSMSFPQRN-INIZCTEOSA-N 3 1 295.515 3.103 20 0 CGADMP C[N@H+](CCC[NH2+][C@H]1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346126 349784340 /nfs/dbraw/zinc/78/43/40/349784340.db2.gz HAQUOKSMSFPQRN-INIZCTEOSA-N 3 1 295.515 3.103 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346126 349784345 /nfs/dbraw/zinc/78/43/45/349784345.db2.gz HAQUOKSMSFPQRN-INIZCTEOSA-N 3 1 295.515 3.103 20 0 CGADMP C[NH+](CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346126 349784348 /nfs/dbraw/zinc/78/43/48/349784348.db2.gz HAQUOKSMSFPQRN-INIZCTEOSA-N 3 1 295.515 3.103 20 0 CGADMP C[NH+](CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346126 349784354 /nfs/dbraw/zinc/78/43/54/349784354.db2.gz HAQUOKSMSFPQRN-INIZCTEOSA-N 3 1 295.515 3.103 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000423507845 529668557 /nfs/dbraw/zinc/66/85/57/529668557.db2.gz IPPCSWFPXZRADS-JKSUJKDBSA-N 2 1 252.446 3.452 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1F ZINC000423380058 529671521 /nfs/dbraw/zinc/67/15/21/529671521.db2.gz MNTSPYGMHVNUIA-HUBLWGQQSA-N 2 1 250.361 3.007 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000248430176 282215849 /nfs/dbraw/zinc/21/58/49/282215849.db2.gz VLZIYIZLLCKARV-UKPHBRMFSA-N 2 1 275.440 3.410 20 0 CGADMP C[N@H+]1CC[C@@H](NCc2ccc3ccccc3n2)CC1(C)C ZINC000623378835 349794131 /nfs/dbraw/zinc/79/41/31/349794131.db2.gz TYSYVRMTRPQEQJ-OAHLLOKOSA-N 2 1 283.419 3.197 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623392684 349796760 /nfs/dbraw/zinc/79/67/60/349796760.db2.gz MIJFVCXAZKAWQY-MRXNPFEDSA-N 2 1 290.451 3.226 20 0 CGADMP CCc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623425330 349805395 /nfs/dbraw/zinc/80/53/95/349805395.db2.gz YHLUVYAXQWCESI-KRWDZBQOSA-N 2 1 274.452 3.254 20 0 CGADMP CCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623428739 349807068 /nfs/dbraw/zinc/80/70/68/349807068.db2.gz YKSNHNSYAZLHEE-INIZCTEOSA-N 2 1 260.425 3.211 20 0 CGADMP CCc1ccc([C@@H](CC)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423415884 529708111 /nfs/dbraw/zinc/70/81/11/529708111.db2.gz FDTQMOIRNJNVFB-MSOLQXFVSA-N 2 1 290.451 3.058 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)CC1(C)C ZINC000623468475 349814441 /nfs/dbraw/zinc/81/44/41/349814441.db2.gz WJTJGHIKOLPQAK-KRWDZBQOSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1(C)C ZINC000623452601 349813266 /nfs/dbraw/zinc/81/32/66/349813266.db2.gz JDQFYNAAOKSRFS-DZOHQFGASA-N 2 1 284.447 3.035 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000423261660 529729899 /nfs/dbraw/zinc/72/98/99/529729899.db2.gz KMCXJYHYGCZADA-CMPLNLGQSA-N 2 1 269.458 3.038 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CCC2 ZINC000423501889 529747719 /nfs/dbraw/zinc/74/77/19/529747719.db2.gz LNSUDWNXTMRQAY-OCCSQVGLSA-N 2 1 293.480 3.190 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccccc2F)CC1(C)C ZINC000623490826 349819255 /nfs/dbraw/zinc/81/92/55/349819255.db2.gz ZEADJRAZOHYDLY-AWEZNQCLSA-N 2 1 293.430 3.090 20 0 CGADMP C[C@@H](C[NH2+]Cc1csc(C(F)(F)F)c1)C[NH+](C)C ZINC000623529962 349827586 /nfs/dbraw/zinc/82/75/86/349827586.db2.gz HFWODQHTKKBBRR-VIFPVBQESA-N 2 1 280.359 3.054 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623528779 349827654 /nfs/dbraw/zinc/82/76/54/349827654.db2.gz CXDQUMMDHKIQIH-KRWDZBQOSA-N 2 1 272.436 3.335 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623532156 349827744 /nfs/dbraw/zinc/82/77/44/349827744.db2.gz FMNVYKBYRBPYRL-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538101 349829600 /nfs/dbraw/zinc/82/96/00/349829600.db2.gz WSVWIZWOBYONKL-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657261 349858510 /nfs/dbraw/zinc/85/85/10/349858510.db2.gz MIEASSJFFVTZBM-SJORKVTESA-N 2 1 274.452 3.248 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000623656820 349857917 /nfs/dbraw/zinc/85/79/17/349857917.db2.gz CMXUFYHIFNQEGY-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP C[N@@H+](CCSc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000355898438 529929204 /nfs/dbraw/zinc/92/92/04/529929204.db2.gz WVJWYBXHAIFHEY-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP C[NH+](CCSc1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000355898438 529929205 /nfs/dbraw/zinc/92/92/05/529929205.db2.gz WVJWYBXHAIFHEY-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP C[NH+](CCSc1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355898438 529929206 /nfs/dbraw/zinc/92/92/06/529929206.db2.gz WVJWYBXHAIFHEY-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)CCC2 ZINC000441368332 529931595 /nfs/dbraw/zinc/93/15/95/529931595.db2.gz JYWHZOLSSDCVAU-LJQANCHMSA-N 2 1 286.463 3.482 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)CCC2 ZINC000441368332 529931596 /nfs/dbraw/zinc/93/15/96/529931596.db2.gz JYWHZOLSSDCVAU-LJQANCHMSA-N 2 1 286.463 3.482 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)CCC2 ZINC000441368332 529931598 /nfs/dbraw/zinc/93/15/98/529931598.db2.gz JYWHZOLSSDCVAU-LJQANCHMSA-N 2 1 286.463 3.482 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCCO2)c1 ZINC000623887685 349905920 /nfs/dbraw/zinc/90/59/20/349905920.db2.gz KCALSGQWHAIDLU-YJBOKZPZSA-N 2 1 290.451 3.186 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423278464 529985705 /nfs/dbraw/zinc/98/57/05/529985705.db2.gz QYPWZPOQJSUDME-CABCVRRESA-N 2 1 299.418 3.380 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4ccoc43)C2)C1 ZINC000449343044 530065216 /nfs/dbraw/zinc/06/52/16/530065216.db2.gz HGSHPNLMQFEUDT-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4ccoc43)C2)C1 ZINC000449343044 530065217 /nfs/dbraw/zinc/06/52/17/530065217.db2.gz HGSHPNLMQFEUDT-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4ccoc43)C2)C1 ZINC000449343044 530065218 /nfs/dbraw/zinc/06/52/18/530065218.db2.gz HGSHPNLMQFEUDT-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP CC(C)(C)OC1CC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000493276103 534965990 /nfs/dbraw/zinc/96/59/90/534965990.db2.gz GARSUKBXJPYEHJ-GTPINHCMSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)(C)OC1CC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000493276103 534965995 /nfs/dbraw/zinc/96/59/95/534965995.db2.gz GARSUKBXJPYEHJ-GTPINHCMSA-N 2 1 294.483 3.187 20 0 CGADMP CCC1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040620916 344964122 /nfs/dbraw/zinc/96/41/22/344964122.db2.gz YUZZDCCJKYTJFT-HWOWSKLDSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000040621971 344964367 /nfs/dbraw/zinc/96/43/67/344964367.db2.gz SXZYEVGUAHIUAX-ZDUSSCGKSA-N 2 1 298.377 3.108 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000040621971 344964369 /nfs/dbraw/zinc/96/43/69/344964369.db2.gz SXZYEVGUAHIUAX-ZDUSSCGKSA-N 2 1 298.377 3.108 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996343 344946168 /nfs/dbraw/zinc/94/61/68/344946168.db2.gz ILXQLUVIZJKCJZ-QZTJIDSGSA-N 2 1 288.435 3.192 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996343 344946169 /nfs/dbraw/zinc/94/61/69/344946169.db2.gz ILXQLUVIZJKCJZ-QZTJIDSGSA-N 2 1 288.435 3.192 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC(C)(C)C)cc1F ZINC000066989606 345311086 /nfs/dbraw/zinc/31/10/86/345311086.db2.gz ARTYIXOOBIGMMS-UHFFFAOYSA-N 2 1 275.371 3.456 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000070148514 345388959 /nfs/dbraw/zinc/38/89/59/345388959.db2.gz HFWWZXJMJOHBLC-LBPRGKRZSA-N 2 1 252.427 3.014 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000069382241 345379678 /nfs/dbraw/zinc/37/96/78/345379678.db2.gz JTKQENXSUNAKSV-HZSPNIEDSA-N 2 1 292.389 3.427 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000075206862 345497372 /nfs/dbraw/zinc/49/73/72/345497372.db2.gz GURSNRFCZPMMNM-ALOPSCKCSA-N 2 1 258.409 3.018 20 0 CGADMP C[N@@H+](Cc1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110315 345533174 /nfs/dbraw/zinc/53/31/74/345533174.db2.gz JKLMYFGUACZYKX-IBGZPJMESA-N 2 1 295.430 3.036 20 0 CGADMP C[N@H+](Cc1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110315 345533177 /nfs/dbraw/zinc/53/31/77/345533177.db2.gz JKLMYFGUACZYKX-IBGZPJMESA-N 2 1 295.430 3.036 20 0 CGADMP C[NH+](Cc1ccncc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110315 345533180 /nfs/dbraw/zinc/53/31/80/345533180.db2.gz JKLMYFGUACZYKX-IBGZPJMESA-N 2 1 295.430 3.036 20 0 CGADMP C[NH+](Cc1ccncc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110315 345533183 /nfs/dbraw/zinc/53/31/83/345533183.db2.gz JKLMYFGUACZYKX-IBGZPJMESA-N 2 1 295.430 3.036 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000075713441 345519507 /nfs/dbraw/zinc/51/95/07/345519507.db2.gz QRAXJTRZAKUPAK-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000480194923 535004911 /nfs/dbraw/zinc/00/49/11/535004911.db2.gz UIWBRRUAMXPKHD-SFHVURJKSA-N 2 1 274.452 3.328 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000086585675 345750403 /nfs/dbraw/zinc/75/04/03/345750403.db2.gz MUEFLSKRIGELKQ-AWEZNQCLSA-N 2 1 296.842 3.169 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000086907451 345751430 /nfs/dbraw/zinc/75/14/30/345751430.db2.gz MSDHUHLVUSFUKH-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000156562010 232228975 /nfs/dbraw/zinc/22/89/75/232228975.db2.gz QUKLLDKILKHNFS-VNHYZAJKSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000156562010 232228978 /nfs/dbraw/zinc/22/89/78/232228978.db2.gz QUKLLDKILKHNFS-VNHYZAJKSA-N 2 1 264.388 3.267 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nccs2)C1 ZINC000351646093 219159796 /nfs/dbraw/zinc/15/97/96/219159796.db2.gz ORNDORIYWPZFGQ-GJZGRUSLSA-N 2 1 293.480 3.197 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nccs2)C1 ZINC000351646093 219159799 /nfs/dbraw/zinc/15/97/99/219159799.db2.gz ORNDORIYWPZFGQ-GJZGRUSLSA-N 2 1 293.480 3.197 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000351646093 219159802 /nfs/dbraw/zinc/15/98/02/219159802.db2.gz ORNDORIYWPZFGQ-GJZGRUSLSA-N 2 1 293.480 3.197 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000351646093 219159803 /nfs/dbraw/zinc/15/98/03/219159803.db2.gz ORNDORIYWPZFGQ-GJZGRUSLSA-N 2 1 293.480 3.197 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093770323 345886222 /nfs/dbraw/zinc/88/62/22/345886222.db2.gz NJTSQWWLXUBKDF-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093770323 345886226 /nfs/dbraw/zinc/88/62/26/345886226.db2.gz NJTSQWWLXUBKDF-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093770323 345886233 /nfs/dbraw/zinc/88/62/33/345886233.db2.gz NJTSQWWLXUBKDF-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCOC2CCCCCC2)CC[N@@H+]1C ZINC000123677745 346010094 /nfs/dbraw/zinc/01/00/94/346010094.db2.gz ACQRSOHOLWKETF-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCOC2CCCCCC2)CC[N@H+]1C ZINC000123677745 346010096 /nfs/dbraw/zinc/01/00/96/346010096.db2.gz ACQRSOHOLWKETF-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCOC2CCCCCC2)CC[NH+]1C ZINC000123677745 346010098 /nfs/dbraw/zinc/01/00/98/346010098.db2.gz ACQRSOHOLWKETF-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOC2CCCCCC2)CC[NH+]1C ZINC000123677745 346010100 /nfs/dbraw/zinc/01/01/00/346010100.db2.gz ACQRSOHOLWKETF-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCOC2CCCCCC2)CC[N@@H+]1C ZINC000123677045 346010516 /nfs/dbraw/zinc/01/05/16/346010516.db2.gz ACQRSOHOLWKETF-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCOC2CCCCCC2)CC[N@H+]1C ZINC000123677045 346010520 /nfs/dbraw/zinc/01/05/20/346010520.db2.gz ACQRSOHOLWKETF-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCOC2CCCCCC2)CC[NH+]1C ZINC000123677045 346010525 /nfs/dbraw/zinc/01/05/25/346010525.db2.gz ACQRSOHOLWKETF-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOC2CCCCCC2)CC[NH+]1C ZINC000123677045 346010529 /nfs/dbraw/zinc/01/05/29/346010529.db2.gz ACQRSOHOLWKETF-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351694985 219177521 /nfs/dbraw/zinc/17/75/21/219177521.db2.gz VSPMAQZNZIFFDX-HZPDHXFCSA-N 2 1 284.513 3.468 20 0 CGADMP CCS[C@@H]1CCCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351694985 219177523 /nfs/dbraw/zinc/17/75/23/219177523.db2.gz VSPMAQZNZIFFDX-HZPDHXFCSA-N 2 1 284.513 3.468 20 0 CGADMP CCS[C@@H]1CCCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351694985 219177526 /nfs/dbraw/zinc/17/75/26/219177526.db2.gz VSPMAQZNZIFFDX-HZPDHXFCSA-N 2 1 284.513 3.468 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000248886178 346379483 /nfs/dbraw/zinc/37/94/83/346379483.db2.gz MDAKJRQMGYKNMI-RVKKMQEKSA-N 2 1 289.467 3.327 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000250497396 346385426 /nfs/dbraw/zinc/38/54/26/346385426.db2.gz JTKQENXSUNAKSV-RDBSUJKOSA-N 2 1 292.389 3.427 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000250495891 346385626 /nfs/dbraw/zinc/38/56/26/346385626.db2.gz IYQOCJPPJLFYOW-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000316993678 346485816 /nfs/dbraw/zinc/48/58/16/346485816.db2.gz UMHNCROIBCEHHB-LJQANCHMSA-N 2 1 292.426 3.322 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000315291840 346483186 /nfs/dbraw/zinc/48/31/86/346483186.db2.gz JDMUKSUMGQFXLV-HOTGVXAUSA-N 2 1 292.467 3.335 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000315291840 346483189 /nfs/dbraw/zinc/48/31/89/346483189.db2.gz JDMUKSUMGQFXLV-HOTGVXAUSA-N 2 1 292.467 3.335 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000119170311 370651713 /nfs/dbraw/zinc/65/17/13/370651713.db2.gz GEWCCCUTLZPVRJ-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000119170311 370651722 /nfs/dbraw/zinc/65/17/22/370651722.db2.gz GEWCCCUTLZPVRJ-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000339278779 215060861 /nfs/dbraw/zinc/06/08/61/215060861.db2.gz CEHDJJWPRVAIHN-WFASDCNBSA-N 2 1 266.816 3.221 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000351866993 219231992 /nfs/dbraw/zinc/23/19/92/219231992.db2.gz VSPSRBPAHJZLIN-RDTXWAMCSA-N 2 1 268.404 3.051 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000624121356 349978834 /nfs/dbraw/zinc/97/88/34/349978834.db2.gz ULZFMXJQAVHLTQ-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000624123041 349981543 /nfs/dbraw/zinc/98/15/43/349981543.db2.gz DQGISFVEDMBVSG-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCOC(C)(C)C1 ZINC000351928028 219250828 /nfs/dbraw/zinc/25/08/28/219250828.db2.gz SKGBHPAWHNQQNK-INIZCTEOSA-N 2 1 293.455 3.251 20 0 CGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCOC(C)(C)C1 ZINC000351928028 219250829 /nfs/dbraw/zinc/25/08/29/219250829.db2.gz SKGBHPAWHNQQNK-INIZCTEOSA-N 2 1 293.455 3.251 20 0 CGADMP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606447782 348184271 /nfs/dbraw/zinc/18/42/71/348184271.db2.gz RUWCNOQMOFCEIF-DOTOQJQBSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606447782 348184273 /nfs/dbraw/zinc/18/42/73/348184273.db2.gz RUWCNOQMOFCEIF-DOTOQJQBSA-N 2 1 273.424 3.093 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cccnc3c2)[C@H](C)C1 ZINC000607957059 348276230 /nfs/dbraw/zinc/27/62/30/348276230.db2.gz YRYKJXWIPUWXIZ-RHSMWYFYSA-N 2 1 283.419 3.055 20 0 CGADMP CC1(C)CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000608057065 348279822 /nfs/dbraw/zinc/27/98/22/348279822.db2.gz BQGHUEVDTYWYOI-KRWDZBQOSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000339438887 215173129 /nfs/dbraw/zinc/17/31/29/215173129.db2.gz QTEOXXZULZALTQ-OALUTQOASA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000339438887 215173131 /nfs/dbraw/zinc/17/31/31/215173131.db2.gz QTEOXXZULZALTQ-OALUTQOASA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000339438887 215173133 /nfs/dbraw/zinc/17/31/33/215173133.db2.gz QTEOXXZULZALTQ-OALUTQOASA-N 2 1 284.447 3.482 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)o1 ZINC000357828637 233013109 /nfs/dbraw/zinc/01/31/09/233013109.db2.gz ABKQXUMDYCLTLH-AWEZNQCLSA-N 2 1 264.413 3.361 20 0 CGADMP CC(C)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273383297 192134134 /nfs/dbraw/zinc/13/41/34/192134134.db2.gz CIVPRBVSAOANGB-WMZOPIPTSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273383297 192134135 /nfs/dbraw/zinc/13/41/35/192134135.db2.gz CIVPRBVSAOANGB-WMZOPIPTSA-N 2 1 290.451 3.054 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000339509310 215220107 /nfs/dbraw/zinc/22/01/07/215220107.db2.gz JNXAOWVHQWQQPN-DOTOQJQBSA-N 2 1 281.403 3.041 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCC2(C)C)s1 ZINC000339574348 215249964 /nfs/dbraw/zinc/24/99/64/215249964.db2.gz IKQMGXNLLFWXMH-LBPRGKRZSA-N 2 1 281.469 3.121 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000624214271 350003575 /nfs/dbraw/zinc/00/35/75/350003575.db2.gz XPHHKNAMXVYJRD-OAHLLOKOSA-N 2 1 298.434 3.074 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359226478 233283665 /nfs/dbraw/zinc/28/36/65/233283665.db2.gz VAYVMUQZPYASJV-SFHVURJKSA-N 2 1 272.436 3.083 20 0 CGADMP c1[nH]nc2cccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c12 ZINC000628181939 350426165 /nfs/dbraw/zinc/42/61/65/350426165.db2.gz XKVVZAMSIQRGRS-MRXNPFEDSA-N 2 1 298.434 3.013 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000628214923 350444640 /nfs/dbraw/zinc/44/46/40/350444640.db2.gz RMGCKSOIJDIBFJ-JKSUJKDBSA-N 2 1 260.425 3.030 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@]1(C)CCCS1 ZINC000628280065 350475066 /nfs/dbraw/zinc/47/50/66/350475066.db2.gz OFVVIYOIIQMBLJ-INIZCTEOSA-N 2 1 295.496 3.443 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@]1(C)CCCS1 ZINC000628280065 350475070 /nfs/dbraw/zinc/47/50/70/350475070.db2.gz OFVVIYOIIQMBLJ-INIZCTEOSA-N 2 1 295.496 3.443 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@]1(C)CCCS1 ZINC000628279651 350475375 /nfs/dbraw/zinc/47/53/75/350475375.db2.gz SNPZHKIFOSRHNI-HNNXBMFYSA-N 2 1 270.486 3.080 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2n[nH]cc21 ZINC000628279714 350475594 /nfs/dbraw/zinc/47/55/94/350475594.db2.gz WBGISRVMKLLNOL-UHFFFAOYSA-N 2 1 288.439 3.117 20 0 CGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1Cl ZINC000628280709 350476749 /nfs/dbraw/zinc/47/67/49/350476749.db2.gz CVJBAICPCHJQSW-WFASDCNBSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1Cl ZINC000628280709 350476752 /nfs/dbraw/zinc/47/67/52/350476752.db2.gz CVJBAICPCHJQSW-WFASDCNBSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000628280709 350476755 /nfs/dbraw/zinc/47/67/55/350476755.db2.gz CVJBAICPCHJQSW-WFASDCNBSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000628280709 350476757 /nfs/dbraw/zinc/47/67/57/350476757.db2.gz CVJBAICPCHJQSW-WFASDCNBSA-N 2 1 296.842 3.121 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000629527499 350703190 /nfs/dbraw/zinc/70/31/90/350703190.db2.gz XFJJVRWDBVGNJX-LTIDMASMSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc2c1 ZINC000629531202 350703891 /nfs/dbraw/zinc/70/38/91/350703891.db2.gz DFGWCTRZOJBAKR-QGZVFWFLSA-N 2 1 283.419 3.247 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C[NH2+]1 ZINC000629542868 350708245 /nfs/dbraw/zinc/70/82/45/350708245.db2.gz NUCJWPHUPNISGS-LAVFITLUSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C[NH2+]1 ZINC000629543112 350708652 /nfs/dbraw/zinc/70/86/52/350708652.db2.gz TVCZOBCKSOFJOH-XLNGHYISSA-N 2 1 272.436 3.299 20 0 CGADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000629550994 350711298 /nfs/dbraw/zinc/71/12/98/350711298.db2.gz RJNQLZOZFOIFNC-IYBDPMFKSA-N 2 1 292.373 3.094 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](C)C1(F)F ZINC000629552262 350711874 /nfs/dbraw/zinc/71/18/74/350711874.db2.gz GLKRTEYKSQEMPL-BETUJISGSA-N 2 1 294.389 3.055 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564260 350713516 /nfs/dbraw/zinc/71/35/16/350713516.db2.gz SFQCNKOWBFKBIJ-RWMBFGLXSA-N 2 1 280.378 3.128 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1C(F)(F)F ZINC000629563500 350713596 /nfs/dbraw/zinc/71/35/96/350713596.db2.gz RAFYXFHCICIJAN-QWHCGFSZSA-N 2 1 278.362 3.026 20 0 CGADMP CC(C)(C)CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565636 350714083 /nfs/dbraw/zinc/71/40/83/350714083.db2.gz WSKGJDGSIYCFLH-NEPJUHHUSA-N 2 1 280.378 3.272 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629397451 350689422 /nfs/dbraw/zinc/68/94/22/350689422.db2.gz VQNBUBXOGNNYPY-YQQAZPJKSA-N 2 1 260.425 3.046 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629411994 350690248 /nfs/dbraw/zinc/69/02/48/350690248.db2.gz JLSGEXAYZFOIET-UTUOFQBUSA-N 2 1 286.872 3.453 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000629509654 350698726 /nfs/dbraw/zinc/69/87/26/350698726.db2.gz GPGSCMFFSAPBGZ-LSDHHAIUSA-N 2 1 289.467 3.327 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631065277 350941004 /nfs/dbraw/zinc/94/10/04/350941004.db2.gz PXFGBVNFNWGGTO-AWEZNQCLSA-N 2 1 297.393 3.229 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631065277 350941007 /nfs/dbraw/zinc/94/10/07/350941007.db2.gz PXFGBVNFNWGGTO-AWEZNQCLSA-N 2 1 297.393 3.229 20 0 CGADMP CC1(C)CC([NH2+]Cc2ccc(C(F)F)nc2)CC(C)(C)[NH2+]1 ZINC000631035254 350931770 /nfs/dbraw/zinc/93/17/70/350931770.db2.gz LXSOZHOAFMTNSW-UHFFFAOYSA-N 2 1 297.393 3.418 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631581134 351076263 /nfs/dbraw/zinc/07/62/63/351076263.db2.gz FRFVJGDDHYITSF-INIZCTEOSA-N 2 1 284.407 3.034 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839498 351150408 /nfs/dbraw/zinc/15/04/08/351150408.db2.gz HDBRKOKEPPYFHO-GRYCIOLGSA-N 2 1 297.240 3.037 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839498 351150411 /nfs/dbraw/zinc/15/04/11/351150411.db2.gz HDBRKOKEPPYFHO-GRYCIOLGSA-N 2 1 297.240 3.037 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000631838162 351150650 /nfs/dbraw/zinc/15/06/50/351150650.db2.gz JRKQTUOKNQBOJQ-TZMCWYRMSA-N 2 1 296.842 3.154 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000631838162 351150653 /nfs/dbraw/zinc/15/06/53/351150653.db2.gz JRKQTUOKNQBOJQ-TZMCWYRMSA-N 2 1 296.842 3.154 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000634680239 351565696 /nfs/dbraw/zinc/56/56/96/351565696.db2.gz ONJMCRXAYXXBRO-QGZVFWFLSA-N 2 1 290.451 3.186 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000634683484 351570041 /nfs/dbraw/zinc/57/00/41/351570041.db2.gz SHMWQQFKRLNLID-DOTOQJQBSA-N 2 1 294.483 3.331 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3ncccc23)C[C@H]1C[NH3+] ZINC000634687975 351574075 /nfs/dbraw/zinc/57/40/75/351574075.db2.gz DYYWOXNUQYBYDS-IJEWVQPXSA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000291475174 198031253 /nfs/dbraw/zinc/03/12/53/198031253.db2.gz PTPDXUARZCRLAE-CZUORRHYSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCc2cccc(Cl)c2)CC[N@H+]1C ZINC000291475174 198031255 /nfs/dbraw/zinc/03/12/55/198031255.db2.gz PTPDXUARZCRLAE-CZUORRHYSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCc2cccc(Cl)c2)CC[NH+]1C ZINC000291475174 198031257 /nfs/dbraw/zinc/03/12/57/198031257.db2.gz PTPDXUARZCRLAE-CZUORRHYSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2cccc(Cl)c2)CC[NH+]1C ZINC000291475174 198031258 /nfs/dbraw/zinc/03/12/58/198031258.db2.gz PTPDXUARZCRLAE-CZUORRHYSA-N 2 1 280.843 3.297 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000635007707 351625526 /nfs/dbraw/zinc/62/55/26/351625526.db2.gz BCXSWVVEYQOPPC-STQMWFEESA-N 2 1 250.386 3.017 20 0 CGADMP CC[C@@H]([NH2+]Cc1cccc2[nH]ccc21)[C@H]1CCCC[NH2+]1 ZINC000635011258 351629429 /nfs/dbraw/zinc/62/94/29/351629429.db2.gz DJINIDBSQSZGNU-NVXWUHKLSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121898351 187003529 /nfs/dbraw/zinc/00/35/29/187003529.db2.gz DKZHNVKFHWZFGA-UHFFFAOYSA-N 2 1 291.439 3.071 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000123193856 187076693 /nfs/dbraw/zinc/07/66/93/187076693.db2.gz BHSZRSWASLVNEA-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3cccnc32)CC[N@H+]1C ZINC000123193856 187076694 /nfs/dbraw/zinc/07/66/94/187076694.db2.gz BHSZRSWASLVNEA-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3cccnc32)CC[NH+]1C ZINC000123193856 187076695 /nfs/dbraw/zinc/07/66/95/187076695.db2.gz BHSZRSWASLVNEA-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3cccnc32)CC[NH+]1C ZINC000123193856 187076696 /nfs/dbraw/zinc/07/66/96/187076696.db2.gz BHSZRSWASLVNEA-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccccc2F)CC[N@@H+]1C ZINC000123299391 187083899 /nfs/dbraw/zinc/08/38/99/187083899.db2.gz FJWCWPKSPFOASZ-ZIAGYGMSSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccccc2F)CC[N@H+]1C ZINC000123299391 187083900 /nfs/dbraw/zinc/08/39/00/187083900.db2.gz FJWCWPKSPFOASZ-ZIAGYGMSSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCSc2ccccc2F)CC[NH+]1C ZINC000123299391 187083901 /nfs/dbraw/zinc/08/39/01/187083901.db2.gz FJWCWPKSPFOASZ-ZIAGYGMSSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCSc2ccccc2F)CC[NH+]1C ZINC000123299391 187083902 /nfs/dbraw/zinc/08/39/02/187083902.db2.gz FJWCWPKSPFOASZ-ZIAGYGMSSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000366002333 234144250 /nfs/dbraw/zinc/14/42/50/234144250.db2.gz UXJHHHFWHFYFFK-WMZOPIPTSA-N 2 1 287.451 3.341 20 0 CGADMP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000366002333 234144254 /nfs/dbraw/zinc/14/42/54/234144254.db2.gz UXJHHHFWHFYFFK-WMZOPIPTSA-N 2 1 287.451 3.341 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000271621677 191246150 /nfs/dbraw/zinc/24/61/50/191246150.db2.gz YPNARRYBNLUBCL-JKSUJKDBSA-N 2 1 275.440 3.161 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Nc1ccccc1 ZINC000154120331 188124792 /nfs/dbraw/zinc/12/47/92/188124792.db2.gz SHSAOZBTMNQBMO-JQHSSLGASA-N 2 1 289.467 3.195 20 0 CGADMP C[N@H+](Cc1cccc2cccnc21)CC1CC[NH+](C)CC1 ZINC000154824145 188163774 /nfs/dbraw/zinc/16/37/74/188163774.db2.gz COZOPLVABCNEDA-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000156660936 188275799 /nfs/dbraw/zinc/27/57/99/188275799.db2.gz CCFJCVIDZGBSOG-YJBOKZPZSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000156660936 188275801 /nfs/dbraw/zinc/27/58/01/188275801.db2.gz CCFJCVIDZGBSOG-YJBOKZPZSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CC2CC2)CC[NH+]1Cc1ccccc1 ZINC000156660936 188275802 /nfs/dbraw/zinc/27/58/02/188275802.db2.gz CCFJCVIDZGBSOG-YJBOKZPZSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC2)CC[NH+]1Cc1ccccc1 ZINC000156660936 188275803 /nfs/dbraw/zinc/27/58/03/188275803.db2.gz CCFJCVIDZGBSOG-YJBOKZPZSA-N 2 1 272.436 3.381 20 0 CGADMP COCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157017883 188293663 /nfs/dbraw/zinc/29/36/63/188293663.db2.gz ZSNDRLQEHWSOEF-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157017883 188293665 /nfs/dbraw/zinc/29/36/65/188293665.db2.gz ZSNDRLQEHWSOEF-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157017883 188293666 /nfs/dbraw/zinc/29/36/66/188293666.db2.gz ZSNDRLQEHWSOEF-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157017883 188293668 /nfs/dbraw/zinc/29/36/68/188293668.db2.gz ZSNDRLQEHWSOEF-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000369538222 234384198 /nfs/dbraw/zinc/38/41/98/234384198.db2.gz YERIKXSKQMNRGX-UHFFFAOYSA-N 2 1 258.409 3.102 20 0 CGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423513990 295872816 /nfs/dbraw/zinc/87/28/16/295872816.db2.gz WCFTYKIDTZKBGV-YVEFUNNKSA-N 2 1 296.405 3.393 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119267543 370661675 /nfs/dbraw/zinc/66/16/75/370661675.db2.gz YYFVVDINJRLFEX-HIFRSBDPSA-N 2 1 278.465 3.289 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119267543 370661678 /nfs/dbraw/zinc/66/16/78/370661678.db2.gz YYFVVDINJRLFEX-HIFRSBDPSA-N 2 1 278.465 3.289 20 0 CGADMP Fc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336568069 283020517 /nfs/dbraw/zinc/02/05/17/283020517.db2.gz NEWIVZPYRCXDGH-GOSISDBHSA-N 2 1 288.410 3.420 20 0 CGADMP COc1ccc(F)cc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000165633896 188632860 /nfs/dbraw/zinc/63/28/60/188632860.db2.gz JAUPMEPORGRZSF-GFCCVEGCSA-N 2 1 291.370 3.080 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000271897494 191396817 /nfs/dbraw/zinc/39/68/17/191396817.db2.gz UOZCLBIKMQMSRG-GFCCVEGCSA-N 2 1 264.800 3.253 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782252 235463636 /nfs/dbraw/zinc/46/36/36/235463636.db2.gz ODCTZBDYEORAHH-NEWSRXKRSA-N 2 1 286.463 3.187 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353481500 283186690 /nfs/dbraw/zinc/18/66/90/283186690.db2.gz DEFVZLHJDLVOJS-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353481500 283186691 /nfs/dbraw/zinc/18/66/91/283186691.db2.gz DEFVZLHJDLVOJS-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2ccccc2C1 ZINC000094011797 283195906 /nfs/dbraw/zinc/19/59/06/283195906.db2.gz SVOVVTCRELEPNG-IBGZPJMESA-N 2 1 286.463 3.256 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000091284531 138343781 /nfs/dbraw/zinc/34/37/81/138343781.db2.gz YHJPERCRXFOVJS-DZGCQCFKSA-N 2 1 292.854 3.345 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000124841565 138378105 /nfs/dbraw/zinc/37/81/05/138378105.db2.gz UMJNJOLDXOAKSZ-UHFFFAOYSA-N 2 1 266.454 3.446 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000124841565 138378106 /nfs/dbraw/zinc/37/81/06/138378106.db2.gz UMJNJOLDXOAKSZ-UHFFFAOYSA-N 2 1 266.454 3.446 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124774277 138377718 /nfs/dbraw/zinc/37/77/18/138377718.db2.gz BWIRKHKOTHSIDH-BBRMVZONSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124774277 138377719 /nfs/dbraw/zinc/37/77/19/138377719.db2.gz BWIRKHKOTHSIDH-BBRMVZONSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124774277 138377720 /nfs/dbraw/zinc/37/77/20/138377720.db2.gz BWIRKHKOTHSIDH-BBRMVZONSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124774277 138377721 /nfs/dbraw/zinc/37/77/21/138377721.db2.gz BWIRKHKOTHSIDH-BBRMVZONSA-N 2 1 264.388 3.303 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000124002096 138372402 /nfs/dbraw/zinc/37/24/02/138372402.db2.gz UMWXYZMJHCRXAU-IBGZPJMESA-N 2 1 297.446 3.461 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000124002096 138372404 /nfs/dbraw/zinc/37/24/04/138372404.db2.gz UMWXYZMJHCRXAU-IBGZPJMESA-N 2 1 297.446 3.461 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423278108 236019327 /nfs/dbraw/zinc/01/93/27/236019327.db2.gz PKKQZQKMMBVTTH-PGUXBMHVSA-N 2 1 266.816 3.159 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2ccccc2c1 ZINC000423281658 236021041 /nfs/dbraw/zinc/02/10/41/236021041.db2.gz UIJHTIXAJYLKKQ-SJCJKPOMSA-N 2 1 254.377 3.228 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423316209 236035500 /nfs/dbraw/zinc/03/55/00/236035500.db2.gz ASXBIYCXAIOSIV-HONMWMINSA-N 2 1 286.341 3.278 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423339202 236043146 /nfs/dbraw/zinc/04/31/46/236043146.db2.gz WSOSIYGGMRDIKB-JTQLQIEISA-N 2 1 281.469 3.281 20 0 CGADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000423395961 236062233 /nfs/dbraw/zinc/06/22/33/236062233.db2.gz TXZZGXUDPLLNLS-NTZNESFSSA-N 2 1 282.428 3.339 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000423443957 236072284 /nfs/dbraw/zinc/07/22/84/236072284.db2.gz LEBCIDXCFOZPKU-MQIPJXDCSA-N 2 1 264.388 3.382 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Oc2ccccc2)cc1 ZINC000423441144 236072314 /nfs/dbraw/zinc/07/23/14/236072314.db2.gz UINBGBZADFZCSV-NOENWEJRSA-N 2 1 294.398 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000424189116 236131521 /nfs/dbraw/zinc/13/15/21/236131521.db2.gz ZSLOWASHALUDHT-PVAVHDDUSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000424189116 236131522 /nfs/dbraw/zinc/13/15/22/236131522.db2.gz ZSLOWASHALUDHT-PVAVHDDUSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1F)CC[NH2+]CC2 ZINC000424373368 236158147 /nfs/dbraw/zinc/15/81/47/236158147.db2.gz GQXIZQORHDZNND-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP Cc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424378437 236158860 /nfs/dbraw/zinc/15/88/60/236158860.db2.gz NDJCXLXLTDCFMC-OAHLLOKOSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)s1)CC[NH2+]CC2 ZINC000424286064 236142237 /nfs/dbraw/zinc/14/22/37/236142237.db2.gz GWQCHFWPFMHTOC-NSHDSACASA-N 2 1 284.856 3.366 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCCc1ccsc1)CC[NH2+]CC2 ZINC000424292879 236143799 /nfs/dbraw/zinc/14/37/99/236143799.db2.gz ONMCUZAWQWIHDG-CQSZACIVSA-N 2 1 278.465 3.145 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC12CC2 ZINC000424317004 236147845 /nfs/dbraw/zinc/14/78/45/236147845.db2.gz GJKAZDRKDFZOGR-OIISXLGYSA-N 2 1 270.420 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC12CC2 ZINC000424317004 236147848 /nfs/dbraw/zinc/14/78/48/236147848.db2.gz GJKAZDRKDFZOGR-OIISXLGYSA-N 2 1 270.420 3.039 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000424326830 236150199 /nfs/dbraw/zinc/15/01/99/236150199.db2.gz PIYSOCRNJPVFFE-MHORFTMASA-N 2 1 282.431 3.039 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000424335633 236152178 /nfs/dbraw/zinc/15/21/78/236152178.db2.gz ZZANYUUWVVCSPF-LRDDRELGSA-N 2 1 267.376 3.384 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425949012 236275342 /nfs/dbraw/zinc/27/53/42/236275342.db2.gz DEDNDVDVOWOYLV-RYUDHWBXSA-N 2 1 284.831 3.197 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000252177396 291147627 /nfs/dbraw/zinc/14/76/27/291147627.db2.gz SGMPCEDTIXWXND-DGADGQDISA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000178035156 299290011 /nfs/dbraw/zinc/29/00/11/299290011.db2.gz NJQRSIYISDTIKA-ZNMIVQPWSA-N 2 1 296.480 3.288 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000437086771 237246553 /nfs/dbraw/zinc/24/65/53/237246553.db2.gz GWSUZWDQTPLFSM-BVBHFADKSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000437086771 237246558 /nfs/dbraw/zinc/24/65/58/237246558.db2.gz GWSUZWDQTPLFSM-BVBHFADKSA-N 2 1 286.463 3.328 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000177295531 189042923 /nfs/dbraw/zinc/04/29/23/189042923.db2.gz NXNGESDJQHJXGE-HZPDHXFCSA-N 2 1 285.435 3.439 20 0 CGADMP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000177947089 189081323 /nfs/dbraw/zinc/08/13/23/189081323.db2.gz GNCQRVOBXUSXAK-BQFCYCMXSA-N 2 1 290.451 3.001 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178597238 189129581 /nfs/dbraw/zinc/12/95/81/189129581.db2.gz LVDOZZDVAZDQEZ-BBWFWOEESA-N 2 1 290.451 3.143 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178597238 189129582 /nfs/dbraw/zinc/12/95/82/189129582.db2.gz LVDOZZDVAZDQEZ-BBWFWOEESA-N 2 1 290.451 3.143 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccsc1 ZINC000178706236 189138889 /nfs/dbraw/zinc/13/88/89/189138889.db2.gz QDHYLVUYBCECQT-VXGBXAGGSA-N 2 1 263.410 3.240 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccs1 ZINC000178785253 189145706 /nfs/dbraw/zinc/14/57/06/189145706.db2.gz RUZVDLYXCXJHNI-LBPRGKRZSA-N 2 1 263.410 3.384 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179092433 189169050 /nfs/dbraw/zinc/16/90/50/189169050.db2.gz XZYBTNBGNUOSHS-LBPRGKRZSA-N 2 1 269.820 3.118 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000342143452 216236622 /nfs/dbraw/zinc/23/66/22/216236622.db2.gz TYEMMWBCIURKFN-SNVBAGLBSA-N 2 1 288.313 3.117 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000342172950 216246996 /nfs/dbraw/zinc/24/69/96/216246996.db2.gz SJESKJFLRZZFFK-ZDUSSCGKSA-N 2 1 252.789 3.262 20 0 CGADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Cl)c1ccccc1 ZINC000301598526 201090836 /nfs/dbraw/zinc/09/08/36/201090836.db2.gz TZVYYFZVRALZMQ-HNNXBMFYSA-N 2 1 275.783 3.450 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)cc(F)c1 ZINC000449082901 239167061 /nfs/dbraw/zinc/16/70/61/239167061.db2.gz QOVUNAYGJNGJDI-OAUYIBNBSA-N 2 1 294.389 3.285 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc(F)c1 ZINC000449082901 239167068 /nfs/dbraw/zinc/16/70/68/239167068.db2.gz QOVUNAYGJNGJDI-OAUYIBNBSA-N 2 1 294.389 3.285 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449105358 239181954 /nfs/dbraw/zinc/18/19/54/239181954.db2.gz DDFVREDCLWNFPI-ZDUSSCGKSA-N 2 1 283.375 3.159 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000335634202 212348388 /nfs/dbraw/zinc/34/83/88/212348388.db2.gz NHCUIZLBIGIRDK-MSOLQXFVSA-N 2 1 295.430 3.056 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC000450750641 240068275 /nfs/dbraw/zinc/06/82/75/240068275.db2.gz BEYBZVSLFKZIFI-SJLPKXTDSA-N 2 1 294.483 3.213 20 0 CGADMP CCCC[N@@H+](C)CC1CCN(Cc2csc(C)n2)CC1 ZINC000120813546 370803217 /nfs/dbraw/zinc/80/32/17/370803217.db2.gz HTRVZKYCNSYZGE-UHFFFAOYSA-N 2 1 295.496 3.395 20 0 CGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000120813546 370803223 /nfs/dbraw/zinc/80/32/23/370803223.db2.gz HTRVZKYCNSYZGE-UHFFFAOYSA-N 2 1 295.496 3.395 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000120813546 370803227 /nfs/dbraw/zinc/80/32/27/370803227.db2.gz HTRVZKYCNSYZGE-UHFFFAOYSA-N 2 1 295.496 3.395 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275709383 193109709 /nfs/dbraw/zinc/10/97/09/193109709.db2.gz YEVVHRXHNYOJNF-RDJZCZTQSA-N 2 1 283.419 3.056 20 0 CGADMP C[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000275785435 193127396 /nfs/dbraw/zinc/12/73/96/193127396.db2.gz YBHTUKFYUGXNLF-AWEZNQCLSA-N 2 1 278.415 3.203 20 0 CGADMP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000121126705 370832244 /nfs/dbraw/zinc/83/22/44/370832244.db2.gz JBGMXPYHBHRFGF-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](CCCC1CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000121126705 370832248 /nfs/dbraw/zinc/83/22/48/370832248.db2.gz JBGMXPYHBHRFGF-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](CCCC1CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121126705 370832252 /nfs/dbraw/zinc/83/22/52/370832252.db2.gz JBGMXPYHBHRFGF-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000335543082 212242871 /nfs/dbraw/zinc/24/28/71/212242871.db2.gz HYZWCVNQBHQRPZ-CYBMUJFWSA-N 2 1 293.480 3.231 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C/c2ccccc2)C1 ZINC000459723859 242191613 /nfs/dbraw/zinc/19/16/13/242191613.db2.gz DDWSACCVBAXATF-MPNRVQBSSA-N 2 1 258.409 3.021 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C\c2ccccc2)C1 ZINC000459723861 242192041 /nfs/dbraw/zinc/19/20/41/242192041.db2.gz DDWSACCVBAXATF-OOYWPUHTSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000459726108 242194232 /nfs/dbraw/zinc/19/42/32/242194232.db2.gz GFFPPJYSDCFVRI-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP C[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000459733253 242196130 /nfs/dbraw/zinc/19/61/30/242196130.db2.gz GMBORMXJMOAFRR-LSDHHAIUSA-N 2 1 278.415 3.251 20 0 CGADMP C[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000459733231 242196194 /nfs/dbraw/zinc/19/61/94/242196194.db2.gz GMBORMXJMOAFRR-CABCVRRESA-N 2 1 278.415 3.251 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459793114 242237394 /nfs/dbraw/zinc/23/73/94/242237394.db2.gz SUHVUKYLAULFJH-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000462803087 242364428 /nfs/dbraw/zinc/36/44/28/242364428.db2.gz NCLCDIGAKPCRTL-MAUKXSAKSA-N 2 1 272.436 3.192 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000121478619 370863855 /nfs/dbraw/zinc/86/38/55/370863855.db2.gz CCBGKACETYPOGF-UONOGXRCSA-N 2 1 289.398 3.188 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000480634255 243158544 /nfs/dbraw/zinc/15/85/44/243158544.db2.gz STOSRYHDQQOZDJ-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000480693093 243161735 /nfs/dbraw/zinc/16/17/35/243161735.db2.gz JBRUZQNRVKVWOJ-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc2[nH]c(C[N@H+]3CC[C@H](C[NH+](C)C)C3)cc2c(C)c1 ZINC000481991637 243212618 /nfs/dbraw/zinc/21/26/18/243212618.db2.gz ONBZQPXZBSMCEH-OAHLLOKOSA-N 2 1 285.435 3.168 20 0 CGADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)cc2c(C)c1 ZINC000481991637 243212622 /nfs/dbraw/zinc/21/26/22/243212622.db2.gz ONBZQPXZBSMCEH-OAHLLOKOSA-N 2 1 285.435 3.168 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1ccc(F)cc1 ZINC000482704271 243240814 /nfs/dbraw/zinc/24/08/14/243240814.db2.gz FYBKNAWCFIIOIL-UHFFFAOYSA-N 2 1 278.415 3.176 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000482558449 243233540 /nfs/dbraw/zinc/23/35/40/243233540.db2.gz SXINJCKCTUDALT-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000482558449 243233545 /nfs/dbraw/zinc/23/35/45/243233545.db2.gz SXINJCKCTUDALT-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000483805477 243298740 /nfs/dbraw/zinc/29/87/40/243298740.db2.gz IYARMDBUNSBNJF-WOSRLPQWSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000484917728 243323435 /nfs/dbraw/zinc/32/34/35/243323435.db2.gz PZSXCNOJWNJIOF-MAUKXSAKSA-N 2 1 282.431 3.442 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C/C=C/c2ccncc2)C1 ZINC000486951563 243384098 /nfs/dbraw/zinc/38/40/98/243384098.db2.gz SCTQPPZGPBCFNB-BBOMDTFKSA-N 2 1 287.451 3.197 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000011888400 368598505 /nfs/dbraw/zinc/59/85/05/368598505.db2.gz FAYUNRZIIMETAN-HNNXBMFYSA-N 2 1 260.425 3.155 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000125310255 370934267 /nfs/dbraw/zinc/93/42/67/370934267.db2.gz RDECKAWLVRDXEO-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125310255 370934271 /nfs/dbraw/zinc/93/42/71/370934271.db2.gz RDECKAWLVRDXEO-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125310255 370934275 /nfs/dbraw/zinc/93/42/75/370934275.db2.gz RDECKAWLVRDXEO-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000019959006 368789599 /nfs/dbraw/zinc/78/95/99/368789599.db2.gz SSLSYGAFUKUAFC-CQSZACIVSA-N 2 1 264.413 3.076 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000034958912 368982907 /nfs/dbraw/zinc/98/29/07/368982907.db2.gz ZWMPQVKAAFHKGD-LNRIEFBSSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996328 369046744 /nfs/dbraw/zinc/04/67/44/369046744.db2.gz CCULJWMTQSQBTH-HYVNUMGLSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996328 369046749 /nfs/dbraw/zinc/04/67/49/369046749.db2.gz CCULJWMTQSQBTH-HYVNUMGLSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036997885 369049170 /nfs/dbraw/zinc/04/91/70/369049170.db2.gz HLTKQKREOFVBDE-FCLXEUQJSA-N 2 1 292.854 3.486 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000037122866 369064040 /nfs/dbraw/zinc/06/40/40/369064040.db2.gz UDGKRZSJWZSYDB-GFCCVEGCSA-N 2 1 266.454 3.500 20 0 CGADMP Fc1ccccc1C1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000037141049 369068080 /nfs/dbraw/zinc/06/80/80/369068080.db2.gz OMAHBUYNNDYDFZ-UHFFFAOYSA-N 2 1 288.410 3.288 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649219 369094442 /nfs/dbraw/zinc/09/44/42/369094442.db2.gz UWYVFQNLABPWIN-HUUCEWRRSA-N 2 1 288.435 3.220 20 0 CGADMP Fc1cccc(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000037648912 369094475 /nfs/dbraw/zinc/09/44/75/369094475.db2.gz ZDLMBJJYBKZJPQ-BZOOQXSSSA-N 2 1 288.410 3.146 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037648949 369095501 /nfs/dbraw/zinc/09/55/01/369095501.db2.gz KZYAYHHDJULKIU-INIZCTEOSA-N 2 1 288.435 3.048 20 0 CGADMP CCc1ncc(C[NH2+]CCC[N@H+](C)C2CCCCC2)s1 ZINC000037924776 369126364 /nfs/dbraw/zinc/12/63/64/369126364.db2.gz IUTXODAQDDMMOT-UHFFFAOYSA-N 2 1 295.496 3.450 20 0 CGADMP CCc1ncc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)s1 ZINC000037924776 369126366 /nfs/dbraw/zinc/12/63/66/369126366.db2.gz IUTXODAQDDMMOT-UHFFFAOYSA-N 2 1 295.496 3.450 20 0 CGADMP c1csc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000042331054 369213721 /nfs/dbraw/zinc/21/37/21/369213721.db2.gz FQDZOBFGOGGKIK-INIZCTEOSA-N 2 1 276.449 3.416 20 0 CGADMP CCC1CCC([N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000042516075 369223764 /nfs/dbraw/zinc/22/37/64/369223764.db2.gz OBXKIVXAFAUYIK-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1F ZINC000494897006 244327853 /nfs/dbraw/zinc/32/78/53/244327853.db2.gz WYTXUJWUCNVXAF-HWWQOWPSSA-N 2 1 287.382 3.454 20 0 CGADMP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047852770 369328867 /nfs/dbraw/zinc/32/88/67/369328867.db2.gz QHLMIWJPSKUVHN-IYBDPMFKSA-N 2 1 290.451 3.041 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000049529304 369406533 /nfs/dbraw/zinc/40/65/33/369406533.db2.gz FMEVFLLDUPVSBK-GSPSYOTPSA-N 2 1 264.438 3.414 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000128988752 370969825 /nfs/dbraw/zinc/96/98/25/370969825.db2.gz XUDAELKEWDJOKT-HLLBOEOZSA-N 2 1 290.451 3.292 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000128988752 370969832 /nfs/dbraw/zinc/96/98/32/370969832.db2.gz XUDAELKEWDJOKT-HLLBOEOZSA-N 2 1 290.451 3.292 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000129007783 370970320 /nfs/dbraw/zinc/97/03/20/370970320.db2.gz LKCPCGUQEVRZCO-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000062010646 369613884 /nfs/dbraw/zinc/61/38/84/369613884.db2.gz IFFNYQKKOGBQDS-LBPRGKRZSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000062014425 369614072 /nfs/dbraw/zinc/61/40/72/369614072.db2.gz XATLOKMZYIHJEY-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000062014425 369614078 /nfs/dbraw/zinc/61/40/78/369614078.db2.gz XATLOKMZYIHJEY-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169805 369786069 /nfs/dbraw/zinc/78/60/69/369786069.db2.gz IUPFEISZYYIURW-QWHCGFSZSA-N 2 1 266.816 3.462 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000090720348 370064645 /nfs/dbraw/zinc/06/46/45/370064645.db2.gz PRGYVDJRBDYOTA-SMDDNHRTSA-N 2 1 297.240 3.021 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)CC1CC[NH+](C)CC1 ZINC000093089333 370108229 /nfs/dbraw/zinc/10/82/29/370108229.db2.gz IUZRBJMOZUAKKC-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nccs2)c1 ZINC000093405300 370124556 /nfs/dbraw/zinc/12/45/56/370124556.db2.gz XQCLBAPHPPPDHS-ZDUSSCGKSA-N 2 1 289.448 3.446 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nccs2)c1 ZINC000093405300 370124561 /nfs/dbraw/zinc/12/45/61/370124561.db2.gz XQCLBAPHPPPDHS-ZDUSSCGKSA-N 2 1 289.448 3.446 20 0 CGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC000094024344 370164504 /nfs/dbraw/zinc/16/45/04/370164504.db2.gz VXGFUKWZRLEPRH-UHFFFAOYSA-N 2 1 296.842 3.040 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)ccc2n1 ZINC000097862644 370255690 /nfs/dbraw/zinc/25/56/90/370255690.db2.gz QSUBVCLBSLWNQV-OAHLLOKOSA-N 2 1 283.419 3.104 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@H]3[C@@H](C)[NH3+])ccc2n1 ZINC000097862620 370255980 /nfs/dbraw/zinc/25/59/80/370255980.db2.gz IEXFPVWMDZTJFU-KDOFPFPSSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCCC[C@H]3[C@@H](C)[NH3+])ccc2n1 ZINC000097862620 370255983 /nfs/dbraw/zinc/25/59/83/370255983.db2.gz IEXFPVWMDZTJFU-KDOFPFPSSA-N 2 1 283.419 3.245 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000101726459 370295480 /nfs/dbraw/zinc/29/54/80/370295480.db2.gz OKGOFRFDYQZIGP-UHFFFAOYSA-N 2 1 274.433 3.427 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086059 296157582 /nfs/dbraw/zinc/15/75/82/296157582.db2.gz VVSGEMHFNWTVBZ-BPKGMFCQSA-N 2 1 294.483 3.185 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH2+]CC1 ZINC000219647701 376200760 /nfs/dbraw/zinc/20/07/60/376200760.db2.gz OVARKFZDBVXEGL-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP COC1CCC([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000129813681 371002346 /nfs/dbraw/zinc/00/23/46/371002346.db2.gz KZGJYLKZBNZYMY-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000130175899 371016833 /nfs/dbraw/zinc/01/68/33/371016833.db2.gz APUITFHRYSJQFN-JFIYKMOQSA-N 2 1 288.435 3.363 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000130266070 371021999 /nfs/dbraw/zinc/02/19/99/371021999.db2.gz WLXAEYKGBRTJOA-BLLLJJGKSA-N 2 1 278.827 3.259 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000133290617 371241432 /nfs/dbraw/zinc/24/14/32/371241432.db2.gz NJURDKLNSRJAOZ-DLBZAZTESA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134869441 371370273 /nfs/dbraw/zinc/37/02/73/371370273.db2.gz RMWLQXOSUXRAGM-QUCCMNQESA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134869441 371370276 /nfs/dbraw/zinc/37/02/76/371370276.db2.gz RMWLQXOSUXRAGM-QUCCMNQESA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134869441 371370280 /nfs/dbraw/zinc/37/02/80/371370280.db2.gz RMWLQXOSUXRAGM-QUCCMNQESA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134869441 371370283 /nfs/dbraw/zinc/37/02/83/371370283.db2.gz RMWLQXOSUXRAGM-QUCCMNQESA-N 2 1 298.474 3.486 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150104827 371532376 /nfs/dbraw/zinc/53/23/76/371532376.db2.gz QVAFDFMXXLKZFU-ZDUSSCGKSA-N 2 1 268.351 3.056 20 0 CGADMP Fc1ccccc1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000137611220 371499334 /nfs/dbraw/zinc/49/93/34/371499334.db2.gz NLTHGNVXKKWSEC-MRXNPFEDSA-N 2 1 290.426 3.176 20 0 CGADMP Fc1ccccc1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000137611220 371499337 /nfs/dbraw/zinc/49/93/37/371499337.db2.gz NLTHGNVXKKWSEC-MRXNPFEDSA-N 2 1 290.426 3.176 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805390 371636329 /nfs/dbraw/zinc/63/63/29/371636329.db2.gz FXNSRCKHSSOOGK-PVXIVEMSSA-N 2 1 282.378 3.488 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+](C)CC1 ZINC000421820618 371641828 /nfs/dbraw/zinc/64/18/28/371641828.db2.gz NBIDUEZQDLTGGI-NSHDSACASA-N 2 1 284.806 3.094 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421826723 371650191 /nfs/dbraw/zinc/65/01/91/371650191.db2.gz UMLJQZCIRAITOL-NEPJUHHUSA-N 2 1 292.814 3.227 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccncc1Cl ZINC000421860987 371682936 /nfs/dbraw/zinc/68/29/36/371682936.db2.gz UVNUORPAVFFGBD-LBPRGKRZSA-N 2 1 281.831 3.260 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1Cl ZINC000421863721 371686511 /nfs/dbraw/zinc/68/65/11/371686511.db2.gz XNZGKTCKFRXVBV-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000152478053 371697463 /nfs/dbraw/zinc/69/74/63/371697463.db2.gz LMEIMZUVGJJDRC-RHSMWYFYSA-N 2 1 264.457 3.419 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000337347343 214020687 /nfs/dbraw/zinc/02/06/87/214020687.db2.gz XKTFYMWZGHAXJF-UHFFFAOYSA-N 2 1 278.440 3.078 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000337347343 214020688 /nfs/dbraw/zinc/02/06/88/214020688.db2.gz XKTFYMWZGHAXJF-UHFFFAOYSA-N 2 1 278.440 3.078 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(C2CC2)c1 ZINC000422556486 371747102 /nfs/dbraw/zinc/74/71/02/371747102.db2.gz SZVCBGFNAFGKCJ-RTBURBONSA-N 2 1 284.447 3.386 20 0 CGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(C2CC2)c1 ZINC000422551196 371747477 /nfs/dbraw/zinc/74/74/77/371747477.db2.gz DCVWWVQMHMCOOD-UHFFFAOYSA-N 2 1 270.420 3.140 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(C3CCC3)s2)C[C@H]1C[NH3+] ZINC000422561425 371750166 /nfs/dbraw/zinc/75/01/66/371750166.db2.gz LEBXXCJKHGZNDM-MBNYWOFBSA-N 2 1 293.480 3.216 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(C3CCC3)s2)C[C@H]1C[NH3+] ZINC000422561425 371750173 /nfs/dbraw/zinc/75/01/73/371750173.db2.gz LEBXXCJKHGZNDM-MBNYWOFBSA-N 2 1 293.480 3.216 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000422564332 371752345 /nfs/dbraw/zinc/75/23/45/371752345.db2.gz VRCWFJGTDYEUOG-BRWVUGGUSA-N 2 1 290.451 3.151 20 0 CGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422712144 371764142 /nfs/dbraw/zinc/76/41/42/371764142.db2.gz GMNKVZATKPLBMA-WCQYABFASA-N 2 1 291.420 3.010 20 0 CGADMP c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422748997 371782670 /nfs/dbraw/zinc/78/26/70/371782670.db2.gz WZEWWBKPEBGOAD-QZTJIDSGSA-N 2 1 266.388 3.270 20 0 CGADMP Cc1ccc(SCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422773153 371797155 /nfs/dbraw/zinc/79/71/55/371797155.db2.gz TUWDOCMDLVDRCM-CYBMUJFWSA-N 2 1 287.432 3.245 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000337372444 214036679 /nfs/dbraw/zinc/03/66/79/214036679.db2.gz DHHLXLDWUATXAR-WMLDXEAASA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000337372444 214036680 /nfs/dbraw/zinc/03/66/80/214036680.db2.gz DHHLXLDWUATXAR-WMLDXEAASA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337372444 214036682 /nfs/dbraw/zinc/03/66/82/214036682.db2.gz DHHLXLDWUATXAR-WMLDXEAASA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337372444 214036685 /nfs/dbraw/zinc/03/66/85/214036685.db2.gz DHHLXLDWUATXAR-WMLDXEAASA-N 2 1 290.451 3.172 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)on1 ZINC000422782600 371803872 /nfs/dbraw/zinc/80/38/72/371803872.db2.gz JUMKOOFEDBKCMI-IUODEOHRSA-N 2 1 279.428 3.056 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000422785184 371806696 /nfs/dbraw/zinc/80/66/96/371806696.db2.gz PDTMLBQWSMFIEU-IKGGRYGDSA-N 2 1 267.376 3.267 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000422788790 371808820 /nfs/dbraw/zinc/80/88/20/371808820.db2.gz RNFFRYCKZMBDQG-HIFRSBDPSA-N 2 1 279.428 3.185 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000422788791 371809379 /nfs/dbraw/zinc/80/93/79/371809379.db2.gz RNFFRYCKZMBDQG-UKRRQHHQSA-N 2 1 279.428 3.185 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(F)cc1F ZINC000422799354 371815261 /nfs/dbraw/zinc/81/52/61/371815261.db2.gz WHSBKAMKCKTNAQ-QWRGUYRKSA-N 2 1 291.345 3.227 20 0 CGADMP C[C@H]([NH2+]CCc1ccc(Cl)s1)c1c[nH+]ccc1N ZINC000422945380 371885178 /nfs/dbraw/zinc/88/51/78/371885178.db2.gz UIUUFGQUESXDKR-VIFPVBQESA-N 2 1 281.812 3.102 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](CC)[NH+]2CCCC2)C12CCCC2 ZINC000344088111 217045786 /nfs/dbraw/zinc/04/57/86/217045786.db2.gz NKYMXUWSBZTFGU-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP CCOCCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000422891996 371857426 /nfs/dbraw/zinc/85/74/26/371857426.db2.gz XFTUKYKGJAKMLV-CQSZACIVSA-N 2 1 291.439 3.132 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422948499 371886079 /nfs/dbraw/zinc/88/60/79/371886079.db2.gz SAHDAXXBJMGFBH-ZIAGYGMSSA-N 2 1 284.350 3.038 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422933460 371877280 /nfs/dbraw/zinc/87/72/80/371877280.db2.gz HTKLFEJSDXVYNH-KGLIPLIRSA-N 2 1 297.240 3.199 20 0 CGADMP Cc1ccccc1Oc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422861949 371842606 /nfs/dbraw/zinc/84/26/06/371842606.db2.gz PEILLJMXALNQSZ-OAHLLOKOSA-N 2 1 296.414 3.485 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423052325 371935507 /nfs/dbraw/zinc/93/55/07/371935507.db2.gz QHIIJNUOLKQLLV-BLLLJJGKSA-N 2 1 272.392 3.014 20 0 CGADMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000290220800 371938946 /nfs/dbraw/zinc/93/89/46/371938946.db2.gz QUIOYBPVGNOUJO-RDBSUJKOSA-N 2 1 287.407 3.255 20 0 CGADMP C[C@H]([NH2+][C@@H](COc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422952135 371888364 /nfs/dbraw/zinc/88/83/64/371888364.db2.gz BVRBXLIFRIOATD-KXBFYZLASA-N 2 1 296.414 3.004 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000422968111 371894251 /nfs/dbraw/zinc/89/42/51/371894251.db2.gz VPXKGIAVFQWMJD-HEHGZKQESA-N 2 1 258.365 3.084 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422968492 371895366 /nfs/dbraw/zinc/89/53/66/371895366.db2.gz RGYJAQSRNQAYGC-DZUCGIPZSA-N 2 1 258.409 3.053 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Nc1ccccc1 ZINC000422980243 371899427 /nfs/dbraw/zinc/89/94/27/371899427.db2.gz OYVOIOZFWJXCIM-KSSFIOAISA-N 2 1 298.434 3.281 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000423093601 371958470 /nfs/dbraw/zinc/95/84/70/371958470.db2.gz IEBVOTACVZZPSQ-FHIRATQRSA-N 2 1 276.399 3.049 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000156576365 371987020 /nfs/dbraw/zinc/98/70/20/371987020.db2.gz SORGABBTIRHDGD-QIIPPGSGSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000156576365 371987027 /nfs/dbraw/zinc/98/70/27/371987027.db2.gz SORGABBTIRHDGD-QIIPPGSGSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1c[nH+]ccc1N ZINC000423142911 371988572 /nfs/dbraw/zinc/98/85/72/371988572.db2.gz BPSVZZHCGCSSFF-RYUDHWBXSA-N 2 1 285.416 3.034 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1F ZINC000423187194 372014824 /nfs/dbraw/zinc/01/48/24/372014824.db2.gz XJYGDASEMJDCRQ-LBPRGKRZSA-N 2 1 280.387 3.147 20 0 CGADMP CC[C@H]1CCCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188216 372015290 /nfs/dbraw/zinc/01/52/90/372015290.db2.gz NGTJGMPOVOSWCT-DLBZAZTESA-N 2 1 275.440 3.120 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187312 372015469 /nfs/dbraw/zinc/01/54/69/372015469.db2.gz MIYNLGSWUKBYAV-NXHRZFHOSA-N 2 1 289.467 3.366 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccnc1 ZINC000423194919 372018679 /nfs/dbraw/zinc/01/86/79/372018679.db2.gz ZMUGOPKGKAFAPT-GOSISDBHSA-N 2 1 298.434 3.087 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1 ZINC000423194244 372019140 /nfs/dbraw/zinc/01/91/40/372019140.db2.gz YQUYTMBWUUEEKG-AWEZNQCLSA-N 2 1 287.382 3.051 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157438120 372021298 /nfs/dbraw/zinc/02/12/98/372021298.db2.gz VKQUHSLXSNIKHX-IBGZPJMESA-N 2 1 286.463 3.488 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000290588605 372024470 /nfs/dbraw/zinc/02/44/70/372024470.db2.gz VCFVYBUMCRMHMN-NJMKNOHLSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000290588605 372024476 /nfs/dbraw/zinc/02/44/76/372024476.db2.gz VCFVYBUMCRMHMN-NJMKNOHLSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290588605 372024481 /nfs/dbraw/zinc/02/44/81/372024481.db2.gz VCFVYBUMCRMHMN-NJMKNOHLSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290588605 372024488 /nfs/dbraw/zinc/02/44/88/372024488.db2.gz VCFVYBUMCRMHMN-NJMKNOHLSA-N 2 1 272.436 3.362 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423200943 372024872 /nfs/dbraw/zinc/02/48/72/372024872.db2.gz NNZYCYPMBHCLLR-ZDUSSCGKSA-N 2 1 260.381 3.310 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423199634 372025075 /nfs/dbraw/zinc/02/50/75/372025075.db2.gz KFYUQUIUWLWUFE-CQSZACIVSA-N 2 1 276.424 3.398 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200733 372025463 /nfs/dbraw/zinc/02/54/63/372025463.db2.gz MZDHJFCZHDMRKU-MRXNPFEDSA-N 2 1 288.435 3.324 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423206474 372030924 /nfs/dbraw/zinc/03/09/24/372030924.db2.gz XBEJWFSSKFKUHZ-GFCCVEGCSA-N 2 1 270.829 3.076 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423260667 372044313 /nfs/dbraw/zinc/04/43/13/372044313.db2.gz HZBCFUURRDIPIW-SUMWQHHRSA-N 2 1 276.424 3.253 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C1CCCCC1 ZINC000423259714 372044818 /nfs/dbraw/zinc/04/48/18/372044818.db2.gz FQXBUVJLVNSEHH-DLBZAZTESA-N 2 1 288.435 3.267 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1F ZINC000423267529 372045551 /nfs/dbraw/zinc/04/55/51/372045551.db2.gz TWYPLPJVXURDOK-MLGOLLRUSA-N 2 1 294.414 3.393 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)s1 ZINC000423267572 372046015 /nfs/dbraw/zinc/04/60/15/372046015.db2.gz UAJHZXQFFDEOMC-DGCLKSJQSA-N 2 1 254.443 3.389 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC000423285815 372047600 /nfs/dbraw/zinc/04/76/00/372047600.db2.gz YTTURXIZVNWZLA-UONOGXRCSA-N 2 1 285.218 3.308 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423316899 372051616 /nfs/dbraw/zinc/05/16/16/372051616.db2.gz BOQBNGWGQVOCJF-OQPBUACISA-N 2 1 273.207 3.381 20 0 CGADMP COC1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423173511 372004577 /nfs/dbraw/zinc/00/45/77/372004577.db2.gz ZBKMYJAKGMZKNS-FPQWYMTMSA-N 2 1 288.435 3.027 20 0 CGADMP Cc1cccc([C@@H]([NH2+]CCC[NH3+])c2cccc(F)c2)c1 ZINC000423178358 372005976 /nfs/dbraw/zinc/00/59/76/372005976.db2.gz BVSRWKVCLMTWMA-QGZVFWFLSA-N 2 1 272.367 3.162 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290514996 372006745 /nfs/dbraw/zinc/00/67/45/372006745.db2.gz PUNIKRUQUDUBQB-DHSOXLPSSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290514996 372006752 /nfs/dbraw/zinc/00/67/52/372006752.db2.gz PUNIKRUQUDUBQB-DHSOXLPSSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290514996 372006765 /nfs/dbraw/zinc/00/67/65/372006765.db2.gz PUNIKRUQUDUBQB-DHSOXLPSSA-N 2 1 288.410 3.255 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(F)cc(F)c1 ZINC000423183136 372011275 /nfs/dbraw/zinc/01/12/75/372011275.db2.gz RGRBGSDSFUXMBY-NSHDSACASA-N 2 1 268.351 3.277 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184864 372013625 /nfs/dbraw/zinc/01/36/25/372013625.db2.gz IVOOQSJSKZYODE-INIZCTEOSA-N 2 1 283.419 3.221 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)C1CCCC1 ZINC000423497971 372070061 /nfs/dbraw/zinc/07/00/61/372070061.db2.gz ASBIKUDBAUFTRV-CVEARBPZSA-N 2 1 278.827 3.434 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc3c(c1)CCC3)CC[NH2+]CC2 ZINC000424289011 372082149 /nfs/dbraw/zinc/08/21/49/372082149.db2.gz LFNYIODXNCPZIV-OAHLLOKOSA-N 2 1 284.447 3.139 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000159296805 372129208 /nfs/dbraw/zinc/12/92/08/372129208.db2.gz YULNLAFJWYYBDB-LBPRGKRZSA-N 2 1 278.465 3.372 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000344252219 217119551 /nfs/dbraw/zinc/11/95/51/217119551.db2.gz BASQPKBRPDNUGO-DNVCBOLYSA-N 2 1 295.430 3.178 20 0 CGADMP CN(C)c1cc[nH+]cc1CNc1cccc(C2CC2)[nH+]1 ZINC000292948863 372257593 /nfs/dbraw/zinc/25/75/93/372257593.db2.gz KIOFATMGKWSBJC-UHFFFAOYSA-N 2 1 268.364 3.032 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1ccccc1C ZINC000292991963 372271053 /nfs/dbraw/zinc/27/10/53/372271053.db2.gz MHTWKPHZRDSNAY-UHFFFAOYSA-N 2 1 257.381 3.025 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429523169 372373659 /nfs/dbraw/zinc/37/36/59/372373659.db2.gz RFLDBYIGRKUNPQ-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429523169 372373664 /nfs/dbraw/zinc/37/36/64/372373664.db2.gz RFLDBYIGRKUNPQ-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC000429514830 372373684 /nfs/dbraw/zinc/37/36/84/372373684.db2.gz MOJUHFPKBILPSP-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430939111 372408765 /nfs/dbraw/zinc/40/87/65/372408765.db2.gz FEJKRIODHGYDEK-CRAIPNDOSA-N 2 1 298.430 3.278 20 0 CGADMP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1cccc(O)c1 ZINC000161967170 372364082 /nfs/dbraw/zinc/36/40/82/372364082.db2.gz UYTBBSRFNVVALI-HOCLYGCPSA-N 2 1 276.424 3.259 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1cccc(O)c1 ZINC000161967170 372364088 /nfs/dbraw/zinc/36/40/88/372364088.db2.gz UYTBBSRFNVVALI-HOCLYGCPSA-N 2 1 276.424 3.259 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1cccc(O)c1 ZINC000161967170 372364093 /nfs/dbraw/zinc/36/40/93/372364093.db2.gz UYTBBSRFNVVALI-HOCLYGCPSA-N 2 1 276.424 3.259 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1cccc(O)c1 ZINC000161967170 372364102 /nfs/dbraw/zinc/36/41/02/372364102.db2.gz UYTBBSRFNVVALI-HOCLYGCPSA-N 2 1 276.424 3.259 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000163247297 372455656 /nfs/dbraw/zinc/45/56/56/372455656.db2.gz LREBMKPSJJHVJK-DZGCQCFKSA-N 2 1 276.424 3.225 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000163223500 372455896 /nfs/dbraw/zinc/45/58/96/372455896.db2.gz WNTJXBDLVPPOKB-USXIJHARSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000163223500 372455900 /nfs/dbraw/zinc/45/59/00/372455900.db2.gz WNTJXBDLVPPOKB-USXIJHARSA-N 2 1 290.476 3.135 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000163268358 372458347 /nfs/dbraw/zinc/45/83/47/372458347.db2.gz ZCNQAOHVFBAZTP-WMZOPIPTSA-N 2 1 292.442 3.324 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000163278497 372459059 /nfs/dbraw/zinc/45/90/59/372459059.db2.gz ANQGQAWHAVVLPK-OWCLPIDISA-N 2 1 290.451 3.119 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccnc1 ZINC000164152046 372509898 /nfs/dbraw/zinc/50/98/98/372509898.db2.gz OPWRVEJIMGYUEU-AHCXZYCDSA-N 2 1 289.467 3.140 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c[nH]c21 ZINC000164417037 372518445 /nfs/dbraw/zinc/51/84/45/372518445.db2.gz YTAYCKQEHLQDHT-DAYGRLMNSA-N 2 1 299.462 3.337 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000164486936 372521869 /nfs/dbraw/zinc/52/18/69/372521869.db2.gz HSVJIEJHPNCENH-ZDUSSCGKSA-N 2 1 279.403 3.136 20 0 CGADMP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165301716 372547594 /nfs/dbraw/zinc/54/75/94/372547594.db2.gz LFYKHEVFJAQYGR-FUHWJXTLSA-N 2 1 274.452 3.185 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000294165498 372600284 /nfs/dbraw/zinc/60/02/84/372600284.db2.gz PQOUXFURFGHVLB-QGZVFWFLSA-N 2 1 289.467 3.430 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000294165498 372600289 /nfs/dbraw/zinc/60/02/89/372600289.db2.gz PQOUXFURFGHVLB-QGZVFWFLSA-N 2 1 289.467 3.430 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]CC2CCC(C)(C)CC2)CCCO1 ZINC000432348005 372563746 /nfs/dbraw/zinc/56/37/46/372563746.db2.gz RAZHWUQOXOXMPC-INIZCTEOSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1sccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000294043233 372564063 /nfs/dbraw/zinc/56/40/63/372564063.db2.gz IWGZRCZZJQUKPU-UHFFFAOYSA-N 2 1 266.454 3.267 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515663 372576699 /nfs/dbraw/zinc/57/66/99/372576699.db2.gz MIMADFPLIBCCIL-CXAGYDPISA-N 2 1 276.399 3.351 20 0 CGADMP c1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000294118268 372586756 /nfs/dbraw/zinc/58/67/56/372586756.db2.gz KLZBDCJOIBKKLF-QYZOEREBSA-N 2 1 284.447 3.397 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c21 ZINC000165240332 372545848 /nfs/dbraw/zinc/54/58/48/372545848.db2.gz OYDJKCODPLSXJE-MPGHIAIKSA-N 2 1 299.462 3.337 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H](C)C1CCCCC1 ZINC000168305115 372609339 /nfs/dbraw/zinc/60/93/39/372609339.db2.gz BBXNOXWBCCBLMK-JKSUJKDBSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000294176793 372603427 /nfs/dbraw/zinc/60/34/27/372603427.db2.gz JVDHPNXAGLRZFC-CHWSQXEVSA-N 2 1 264.438 3.191 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@@H](C)C3)CCCC2)CC1 ZINC000344522931 217219628 /nfs/dbraw/zinc/21/96/28/217219628.db2.gz LIUVVHUDFFGRKC-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc([C@]2(C)CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000434747968 372705794 /nfs/dbraw/zinc/70/57/94/372705794.db2.gz NUINQESVNFBSSQ-RTBURBONSA-N 2 1 286.463 3.443 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000434747968 372705804 /nfs/dbraw/zinc/70/58/04/372705804.db2.gz NUINQESVNFBSSQ-RTBURBONSA-N 2 1 286.463 3.443 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000434747968 372705811 /nfs/dbraw/zinc/70/58/11/372705811.db2.gz NUINQESVNFBSSQ-RTBURBONSA-N 2 1 286.463 3.443 20 0 CGADMP CC[C@@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435446033 372764884 /nfs/dbraw/zinc/76/48/84/372764884.db2.gz IWKMYUDYMKLYBO-DOTOQJQBSA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@@H+](Cc1ccc(OC(C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435387018 372755988 /nfs/dbraw/zinc/75/59/88/372755988.db2.gz WHFAXJMTRALCIN-KRWDZBQOSA-N 2 1 290.451 3.438 20 0 CGADMP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC([NH3+])CC1 ZINC000435395031 372757677 /nfs/dbraw/zinc/75/76/77/372757677.db2.gz NYQNQCGXJZTJKW-UHFFFAOYSA-N 2 1 296.414 3.285 20 0 CGADMP CCC(CC)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435392737 372757742 /nfs/dbraw/zinc/75/77/42/372757742.db2.gz HRCFMCJUIHOTMR-SFHVURJKSA-N 2 1 289.467 3.462 20 0 CGADMP Cc1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc[nH+]1 ZINC000435586422 372780715 /nfs/dbraw/zinc/78/07/15/372780715.db2.gz AYIPNRGGMUOMEY-KRWDZBQOSA-N 2 1 273.424 3.021 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442783005 373080439 /nfs/dbraw/zinc/08/04/39/373080439.db2.gz MAERIGZMWUBOGD-PNESKVBLSA-N 2 1 262.388 3.130 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442783005 373080446 /nfs/dbraw/zinc/08/04/46/373080446.db2.gz MAERIGZMWUBOGD-PNESKVBLSA-N 2 1 262.388 3.130 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000442856177 373105748 /nfs/dbraw/zinc/10/57/48/373105748.db2.gz OCQSGMSSQOLTPE-ZDUSSCGKSA-N 2 1 276.449 3.321 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442927921 373127642 /nfs/dbraw/zinc/12/76/42/373127642.db2.gz OSOKYWGEUBEVOM-SJLPKXTDSA-N 2 1 274.452 3.316 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000442932986 373131225 /nfs/dbraw/zinc/13/12/25/373131225.db2.gz ZEUXTTUADQGBDB-HNNXBMFYSA-N 2 1 288.435 3.036 20 0 CGADMP CC1(C)CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000444596687 373205199 /nfs/dbraw/zinc/20/51/99/373205199.db2.gz NOFVOPJKDQQFSR-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP CCc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000174629820 373346834 /nfs/dbraw/zinc/34/68/34/373346834.db2.gz XTKXOJCTQZQUPR-WFASDCNBSA-N 2 1 266.454 3.130 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000447578404 373455063 /nfs/dbraw/zinc/45/50/63/373455063.db2.gz FHMPXISYJXPUIV-AGUYFDCRSA-N 2 1 293.480 3.056 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000447578404 373455068 /nfs/dbraw/zinc/45/50/68/373455068.db2.gz FHMPXISYJXPUIV-AGUYFDCRSA-N 2 1 293.480 3.056 20 0 CGADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000300408898 373627313 /nfs/dbraw/zinc/62/73/13/373627313.db2.gz QPDUVYDPWUCDEY-HOTGVXAUSA-N 2 1 250.430 3.173 20 0 CGADMP c1ccc(SC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178976107 373822380 /nfs/dbraw/zinc/82/23/80/373822380.db2.gz QVWMRCSLDIDZDT-MRXNPFEDSA-N 2 1 290.476 3.100 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000449593438 373834375 /nfs/dbraw/zinc/83/43/75/373834375.db2.gz PETWNJZVDPUOCT-OALUTQOASA-N 2 1 284.447 3.150 20 0 CGADMP CC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181122023 374082714 /nfs/dbraw/zinc/08/27/14/374082714.db2.gz RQSNDNGVOCDJAJ-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(CC)CC ZINC000181425586 374122452 /nfs/dbraw/zinc/12/24/52/374122452.db2.gz IHFLPTKSBAWIDH-SJORKVTESA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCCC2(F)F)CC[N@@H+]1C ZINC000450470034 374153617 /nfs/dbraw/zinc/15/36/17/374153617.db2.gz SLFWBGYGZSYTDW-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCCC2(F)F)CC[N@H+]1C ZINC000450470034 374153621 /nfs/dbraw/zinc/15/36/21/374153621.db2.gz SLFWBGYGZSYTDW-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCCC2(F)F)CC[NH+]1C ZINC000450470034 374153628 /nfs/dbraw/zinc/15/36/28/374153628.db2.gz SLFWBGYGZSYTDW-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCCC2(F)F)CC[NH+]1C ZINC000450470034 374153630 /nfs/dbraw/zinc/15/36/30/374153630.db2.gz SLFWBGYGZSYTDW-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCC2(C)C)([NH+](C)C)C1 ZINC000310931663 374230009 /nfs/dbraw/zinc/23/00/09/374230009.db2.gz LTMYPBICSPQRHG-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309705596 374191820 /nfs/dbraw/zinc/19/18/20/374191820.db2.gz HQOGKJHLRVEHOB-KRWDZBQOSA-N 2 1 292.492 3.241 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000312015704 374265728 /nfs/dbraw/zinc/26/57/28/374265728.db2.gz VEHNCGJWLJZSOT-CABCVRRESA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCc1cccc(F)c1 ZINC000452096125 374233627 /nfs/dbraw/zinc/23/36/27/374233627.db2.gz MUFJLVRVBIEAFK-UHFFFAOYSA-N 2 1 278.415 3.222 20 0 CGADMP Fc1cccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000182660597 374307602 /nfs/dbraw/zinc/30/76/02/374307602.db2.gz XUXCGSDHWIYFOA-UHFFFAOYSA-N 2 1 290.426 3.319 20 0 CGADMP CCC1([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000453299598 374401787 /nfs/dbraw/zinc/40/17/87/374401787.db2.gz UYVNUDMBJCWJDM-RCCFBDPRSA-N 2 1 284.447 3.429 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000086279056 541939750 /nfs/dbraw/zinc/93/97/50/541939750.db2.gz YCIPSXBBHJTASS-CQSZACIVSA-N 2 1 292.386 3.427 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090118846 541957552 /nfs/dbraw/zinc/95/75/52/541957552.db2.gz ZMUOHLGJGRENKP-MAUKXSAKSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000090118846 541957557 /nfs/dbraw/zinc/95/75/57/541957557.db2.gz ZMUOHLGJGRENKP-MAUKXSAKSA-N 2 1 272.436 3.429 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccnc1 ZINC000185074719 374584952 /nfs/dbraw/zinc/58/49/52/374584952.db2.gz NBLVXYOGQWPVRP-SFHVURJKSA-N 2 1 287.451 3.387 20 0 CGADMP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721258 374723143 /nfs/dbraw/zinc/72/31/43/374723143.db2.gz ZUNBCQPKLRFWCX-LSDHHAIUSA-N 2 1 250.430 3.195 20 0 CGADMP c1[nH]nc2c1cccc2C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000334420877 374736062 /nfs/dbraw/zinc/73/60/62/374736062.db2.gz QMZWVRWMVDBQTH-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC000186122517 374800996 /nfs/dbraw/zinc/80/09/96/374800996.db2.gz ZEQNEXUTNQNXJN-STQMWFEESA-N 2 1 282.453 3.139 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC000186122517 374800999 /nfs/dbraw/zinc/80/09/99/374800999.db2.gz ZEQNEXUTNQNXJN-STQMWFEESA-N 2 1 282.453 3.139 20 0 CGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000186405695 374846289 /nfs/dbraw/zinc/84/62/89/374846289.db2.gz QPDWDIGUJSGOLN-KDOFPFPSSA-N 2 1 285.435 3.007 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@]2(CCSC2)C1 ZINC000334627026 374919636 /nfs/dbraw/zinc/91/96/36/374919636.db2.gz OGOYEDPTGKRHEW-JKSUJKDBSA-N 2 1 282.497 3.080 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528246 541987812 /nfs/dbraw/zinc/98/78/12/541987812.db2.gz CAAYQZMYAJOLRN-INIZCTEOSA-N 2 1 258.409 3.267 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000479677727 375155214 /nfs/dbraw/zinc/15/52/14/375155214.db2.gz POWPPBJYTRTIFV-LJQANCHMSA-N 2 1 286.463 3.392 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000483142205 375175632 /nfs/dbraw/zinc/17/56/32/375175632.db2.gz USCXVDNDWHJQGN-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000474628448 375123204 /nfs/dbraw/zinc/12/32/04/375123204.db2.gz STRLWOAIWAKPPM-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000474628448 375123208 /nfs/dbraw/zinc/12/32/08/375123208.db2.gz STRLWOAIWAKPPM-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)[C@H]3CC3(C)C)CC2)[nH+]c1 ZINC000487307284 375224960 /nfs/dbraw/zinc/22/49/60/375224960.db2.gz YLOBITJOJFYIPA-GOEBONIOSA-N 2 1 287.451 3.383 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189076079 375320964 /nfs/dbraw/zinc/32/09/64/375320964.db2.gz QLXOBGQPKLVFGM-KRWDZBQOSA-N 2 1 296.499 3.295 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)ccc1C ZINC000189258002 375350741 /nfs/dbraw/zinc/35/07/41/375350741.db2.gz CJJCXJXZXHVCPE-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)ccc1C ZINC000189258002 375350746 /nfs/dbraw/zinc/35/07/46/375350746.db2.gz CJJCXJXZXHVCPE-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335836314 375470438 /nfs/dbraw/zinc/47/04/38/375470438.db2.gz VSWNHAXOCOWZIX-HTWSVDAQSA-N 2 1 288.410 3.420 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCSCc2ccccc2)CCN1C ZINC000190052580 375473647 /nfs/dbraw/zinc/47/36/47/375473647.db2.gz IDSFYSZCIFVSOC-WBVHZDCISA-N 2 1 292.492 3.334 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSCc2ccccc2)CC[N@@H+]1C ZINC000190052580 375473653 /nfs/dbraw/zinc/47/36/53/375473653.db2.gz IDSFYSZCIFVSOC-WBVHZDCISA-N 2 1 292.492 3.334 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSCc2ccccc2)CC[N@H+]1C ZINC000190052580 375473658 /nfs/dbraw/zinc/47/36/58/375473658.db2.gz IDSFYSZCIFVSOC-WBVHZDCISA-N 2 1 292.492 3.334 20 0 CGADMP C[N@@H+](CCCn1ccnc1)Cc1ccc(F)c(Cl)c1 ZINC000189784923 375445956 /nfs/dbraw/zinc/44/59/56/375445956.db2.gz QPHCBZWLSWKJJC-UHFFFAOYSA-N 2 1 281.762 3.198 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)[C@@H](C)C1 ZINC000336092326 375681027 /nfs/dbraw/zinc/68/10/27/375681027.db2.gz JELNMJRUHZVQEB-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](CC)C2)C1 ZINC000125453916 542036422 /nfs/dbraw/zinc/03/64/22/542036422.db2.gz XCCCAVMOUKFLLJ-AXHPFZFWSA-N 2 1 250.430 3.006 20 0 CGADMP CC[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](CC)C2)C1 ZINC000125453916 542036426 /nfs/dbraw/zinc/03/64/26/542036426.db2.gz XCCCAVMOUKFLLJ-AXHPFZFWSA-N 2 1 250.430 3.006 20 0 CGADMP CC[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](CC)C2)C1 ZINC000125453916 542036430 /nfs/dbraw/zinc/03/64/30/542036430.db2.gz XCCCAVMOUKFLLJ-AXHPFZFWSA-N 2 1 250.430 3.006 20 0 CGADMP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123992672 542030602 /nfs/dbraw/zinc/03/06/02/542030602.db2.gz FLTDIMPBWBBFLV-CQSZACIVSA-N 2 1 298.352 3.107 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389339 375784834 /nfs/dbraw/zinc/78/48/34/375784834.db2.gz MLPNKVCVGVTUGV-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389339 375784840 /nfs/dbraw/zinc/78/48/40/375784840.db2.gz MLPNKVCVGVTUGV-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389339 375784844 /nfs/dbraw/zinc/78/48/44/375784844.db2.gz MLPNKVCVGVTUGV-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389339 375784849 /nfs/dbraw/zinc/78/48/49/375784849.db2.gz MLPNKVCVGVTUGV-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000128448652 542052391 /nfs/dbraw/zinc/05/23/91/542052391.db2.gz QPEUWPPDDCCUQF-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(CC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927891 375803510 /nfs/dbraw/zinc/80/35/10/375803510.db2.gz GKYGFZUVZRHGCT-INIZCTEOSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)(C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192934389 375805207 /nfs/dbraw/zinc/80/52/07/375805207.db2.gz STKIMUCRJVZSND-MRXNPFEDSA-N 2 1 260.425 3.144 20 0 CGADMP CC(C)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192964634 375809841 /nfs/dbraw/zinc/80/98/41/375809841.db2.gz XBNJHNWCLAEMJY-QLQQRZLESA-N 2 1 264.457 3.416 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000192975119 375810619 /nfs/dbraw/zinc/81/06/19/375810619.db2.gz ZDOMFUUOXMYHAJ-UHFFFAOYSA-N 2 1 293.436 3.081 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000336538027 375815315 /nfs/dbraw/zinc/81/53/15/375815315.db2.gz OXIMVFQMOUHYHZ-RYUDHWBXSA-N 2 1 276.355 3.131 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)[NH+]1CCCC1 ZINC000510676665 375787897 /nfs/dbraw/zinc/78/78/97/375787897.db2.gz VOUITWIVEKEFHH-BZUAXINKSA-N 2 1 270.436 3.369 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000193139058 375831973 /nfs/dbraw/zinc/83/19/73/375831973.db2.gz JODLCTZEEOISJH-NEPJUHHUSA-N 2 1 272.845 3.364 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000193138956 375832926 /nfs/dbraw/zinc/83/29/26/375832926.db2.gz XJGQWPBOERCENA-MNOVXSKESA-N 2 1 272.845 3.364 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654623 375894990 /nfs/dbraw/zinc/89/49/90/375894990.db2.gz CTGZYGATCNJENT-AHCXZYCDSA-N 2 1 272.436 3.285 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261407 375964811 /nfs/dbraw/zinc/96/48/11/375964811.db2.gz GNPOMMUPXUUKAD-WBMJQRKESA-N 2 1 278.827 3.259 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000336812246 375965307 /nfs/dbraw/zinc/96/53/07/375965307.db2.gz QQFKOBZFOOTLBQ-CVEARBPZSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000336819267 375974199 /nfs/dbraw/zinc/97/41/99/375974199.db2.gz ZCDJUZZFKMPEJH-GFCCVEGCSA-N 2 1 278.465 3.204 20 0 CGADMP Cc1ccsc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000336709290 375914212 /nfs/dbraw/zinc/91/42/12/375914212.db2.gz LTIFTDAUVHOMNF-UHFFFAOYSA-N 2 1 263.410 3.084 20 0 CGADMP Cc1ccsc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000336709290 375914218 /nfs/dbraw/zinc/91/42/18/375914218.db2.gz LTIFTDAUVHOMNF-UHFFFAOYSA-N 2 1 263.410 3.084 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000535082959 376023801 /nfs/dbraw/zinc/02/38/01/376023801.db2.gz GJUOGHQJEYLZIE-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@@H]12 ZINC000535765283 376056092 /nfs/dbraw/zinc/05/60/92/376056092.db2.gz HUTCFJWYDJRHFY-LTIDMASMSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCCC[C@@H]12 ZINC000535765283 376056100 /nfs/dbraw/zinc/05/61/00/376056100.db2.gz HUTCFJWYDJRHFY-LTIDMASMSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCCC[C@@H]12 ZINC000535765283 376056109 /nfs/dbraw/zinc/05/61/09/376056109.db2.gz HUTCFJWYDJRHFY-LTIDMASMSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000195139466 376082325 /nfs/dbraw/zinc/08/23/25/376082325.db2.gz WPUNREOGJZGVLW-RDJZCZTQSA-N 2 1 284.403 3.452 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000195139466 376082328 /nfs/dbraw/zinc/08/23/28/376082328.db2.gz WPUNREOGJZGVLW-RDJZCZTQSA-N 2 1 284.403 3.452 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000195136530 376082968 /nfs/dbraw/zinc/08/29/68/376082968.db2.gz NZFHEIXVHNJLOF-RDJZCZTQSA-N 2 1 284.403 3.452 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000195136530 376082975 /nfs/dbraw/zinc/08/29/75/376082975.db2.gz NZFHEIXVHNJLOF-RDJZCZTQSA-N 2 1 284.403 3.452 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C2(CC)CC)C1 ZINC000537296787 376160776 /nfs/dbraw/zinc/16/07/76/376160776.db2.gz ZZIQGQNJPLUODU-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H](C)C1CCCCC1 ZINC000537306164 376163130 /nfs/dbraw/zinc/16/31/30/376163130.db2.gz CKFBNGRZLOMHHM-HUUCEWRRSA-N 2 1 264.457 3.443 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696064 376123517 /nfs/dbraw/zinc/12/35/17/376123517.db2.gz QKUYCLSWGIVDRR-YSIASYRMSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696064 376123519 /nfs/dbraw/zinc/12/35/19/376123519.db2.gz QKUYCLSWGIVDRR-YSIASYRMSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696064 376123521 /nfs/dbraw/zinc/12/35/21/376123521.db2.gz QKUYCLSWGIVDRR-YSIASYRMSA-N 2 1 298.474 3.454 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337510204 376225804 /nfs/dbraw/zinc/22/58/04/376225804.db2.gz INWFFZHPWGRVSJ-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)[C@@H](C)C1 ZINC000337531982 376227233 /nfs/dbraw/zinc/22/72/33/376227233.db2.gz VPAVPIURBSWINA-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)s1 ZINC000538749797 376268034 /nfs/dbraw/zinc/26/80/34/376268034.db2.gz GTKJSLYYUALUNO-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)s1 ZINC000538749797 376268041 /nfs/dbraw/zinc/26/80/41/376268041.db2.gz GTKJSLYYUALUNO-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000338341123 376338356 /nfs/dbraw/zinc/33/83/56/376338356.db2.gz JITKSYYMKAHMEW-CQSZACIVSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000338341123 376338361 /nfs/dbraw/zinc/33/83/61/376338361.db2.gz JITKSYYMKAHMEW-CQSZACIVSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000539086360 376293156 /nfs/dbraw/zinc/29/31/56/376293156.db2.gz JUPVHOYNSSDXPW-XJKCOSOUSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000539294676 376302122 /nfs/dbraw/zinc/30/21/22/376302122.db2.gz LXTBSZYEJFBBBL-AYOQOUSVSA-N 2 1 286.463 3.210 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000226448349 376360522 /nfs/dbraw/zinc/36/05/22/376360522.db2.gz DWPUTTASXRYQMM-CQSZACIVSA-N 2 1 266.816 3.222 20 0 CGADMP C[C@@H](CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000226450525 376361544 /nfs/dbraw/zinc/36/15/44/376361544.db2.gz KFKBICDWYAVUGA-DOTOQJQBSA-N 2 1 260.425 3.254 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000540508137 376379832 /nfs/dbraw/zinc/37/98/32/376379832.db2.gz VBFUOVCTJMZDBS-HNNXBMFYSA-N 2 1 290.451 3.215 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000540508137 376379840 /nfs/dbraw/zinc/37/98/40/376379840.db2.gz VBFUOVCTJMZDBS-HNNXBMFYSA-N 2 1 290.451 3.215 20 0 CGADMP Cc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000227189226 376385389 /nfs/dbraw/zinc/38/53/89/376385389.db2.gz CZOSFHLQAFEZMZ-DLBZAZTESA-N 2 1 290.451 3.132 20 0 CGADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540605696 376385700 /nfs/dbraw/zinc/38/57/00/376385700.db2.gz JBVKPBVODWKJTM-IRXDYDNUSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1ccc(OCCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000227189232 376385813 /nfs/dbraw/zinc/38/58/13/376385813.db2.gz CZOSFHLQAFEZMZ-IRXDYDNUSA-N 2 1 290.451 3.132 20 0 CGADMP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540605697 376386423 /nfs/dbraw/zinc/38/64/23/376386423.db2.gz JBVKPBVODWKJTM-SJORKVTESA-N 2 1 264.457 3.443 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000541773175 376480747 /nfs/dbraw/zinc/48/07/47/376480747.db2.gz QJTNKDOIAZSCQR-SDQPKGBYSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000541773175 376480756 /nfs/dbraw/zinc/48/07/56/376480756.db2.gz QJTNKDOIAZSCQR-SDQPKGBYSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000541773175 376480767 /nfs/dbraw/zinc/48/07/67/376480767.db2.gz QJTNKDOIAZSCQR-SDQPKGBYSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000541773175 376480780 /nfs/dbraw/zinc/48/07/80/376480780.db2.gz QJTNKDOIAZSCQR-SDQPKGBYSA-N 2 1 294.389 3.252 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000228761270 376447209 /nfs/dbraw/zinc/44/72/09/376447209.db2.gz HNYQUSLGRGDBAA-LBPRGKRZSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000228761270 376447212 /nfs/dbraw/zinc/44/72/12/376447212.db2.gz HNYQUSLGRGDBAA-LBPRGKRZSA-N 2 1 282.815 3.052 20 0 CGADMP C[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]c4cc(F)ccc43)C2)C1 ZINC000338742641 376511043 /nfs/dbraw/zinc/51/10/43/376511043.db2.gz GIWATPOEEWSVMI-SFHVURJKSA-N 2 1 299.393 3.296 20 0 CGADMP C[N@H+]1CCC[C@]2(CCN(c3cc[nH+]c4cc(F)ccc43)C2)C1 ZINC000338742641 376511046 /nfs/dbraw/zinc/51/10/46/376511046.db2.gz GIWATPOEEWSVMI-SFHVURJKSA-N 2 1 299.393 3.296 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC(C)CC2)C1 ZINC000542507954 376551325 /nfs/dbraw/zinc/55/13/25/376551325.db2.gz UVPIOBOIZVPLEI-OFLPRAFFSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000542507954 376551330 /nfs/dbraw/zinc/55/13/30/376551330.db2.gz UVPIOBOIZVPLEI-OFLPRAFFSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000542507954 376551336 /nfs/dbraw/zinc/55/13/36/376551336.db2.gz UVPIOBOIZVPLEI-OFLPRAFFSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000542694282 376569992 /nfs/dbraw/zinc/56/99/92/376569992.db2.gz SHJGBVJGDYUVTB-NVXWUHKLSA-N 2 1 266.473 3.476 20 0 CGADMP c1ccc2c(c1)CC[C@H](C[N@@H+]1CCC[C@H]1CN1CCCC1)C2 ZINC000542914278 376589857 /nfs/dbraw/zinc/58/98/57/376589857.db2.gz DPXAUZJVLFGCHF-PXNSSMCTSA-N 2 1 298.474 3.352 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000235168844 376631847 /nfs/dbraw/zinc/63/18/47/376631847.db2.gz RGENFEOELDNBJA-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000235168844 376631855 /nfs/dbraw/zinc/63/18/55/376631855.db2.gz RGENFEOELDNBJA-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1Cl ZINC000235070340 376632428 /nfs/dbraw/zinc/63/24/28/376632428.db2.gz CRTQCAMBRKMNLY-LBPRGKRZSA-N 2 1 254.805 3.078 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCC(C)CC1 ZINC000236723075 376685679 /nfs/dbraw/zinc/68/56/79/376685679.db2.gz WZGIQUKDLVQHEK-ZBFHGGJFSA-N 2 1 252.446 3.131 20 0 CGADMP CCCC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000544415816 376734062 /nfs/dbraw/zinc/73/40/62/376734062.db2.gz UOWUIVPOQJLZTC-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339657196 376787626 /nfs/dbraw/zinc/78/76/26/376787626.db2.gz ACPLHKADNBYJMB-SJPCQFCGSA-N 2 1 296.499 3.386 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000151120609 542100597 /nfs/dbraw/zinc/10/05/97/542100597.db2.gz AUCGYDBGAHYXNP-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000556783001 376879396 /nfs/dbraw/zinc/87/93/96/376879396.db2.gz IGSUDXPPJSIWRD-ZIAGYGMSSA-N 2 1 266.454 3.001 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000245769529 376905018 /nfs/dbraw/zinc/90/50/18/376905018.db2.gz RLZILHFKNLCFCQ-IJEWVQPXSA-N 2 1 276.424 3.177 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000556922482 376906765 /nfs/dbraw/zinc/90/67/65/376906765.db2.gz CRVOWSZKTVLOQV-HRCADAONSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000556922482 376906773 /nfs/dbraw/zinc/90/67/73/376906773.db2.gz CRVOWSZKTVLOQV-HRCADAONSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000245856596 376920990 /nfs/dbraw/zinc/92/09/90/376920990.db2.gz NRBXZJOOYZBHCH-UXLLHSPISA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000245856596 376920997 /nfs/dbraw/zinc/92/09/97/376920997.db2.gz NRBXZJOOYZBHCH-UXLLHSPISA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000245856596 376921005 /nfs/dbraw/zinc/92/10/05/376921005.db2.gz NRBXZJOOYZBHCH-UXLLHSPISA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245856600 376921112 /nfs/dbraw/zinc/92/11/12/376921112.db2.gz NRBXZJOOYZBHCH-YQQAZPJKSA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245856600 376921116 /nfs/dbraw/zinc/92/11/16/376921116.db2.gz NRBXZJOOYZBHCH-YQQAZPJKSA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245856600 376921123 /nfs/dbraw/zinc/92/11/23/376921123.db2.gz NRBXZJOOYZBHCH-YQQAZPJKSA-N 2 1 264.457 3.371 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000557330518 376931361 /nfs/dbraw/zinc/93/13/61/376931361.db2.gz NCGJTQHVAHARIT-HNNXBMFYSA-N 2 1 288.435 3.145 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244764 376960461 /nfs/dbraw/zinc/96/04/61/376960461.db2.gz OBUXBLZTHUCESW-HZPDHXFCSA-N 2 1 278.465 3.165 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244764 376960469 /nfs/dbraw/zinc/96/04/69/376960469.db2.gz OBUXBLZTHUCESW-HZPDHXFCSA-N 2 1 278.465 3.165 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340244762 376961341 /nfs/dbraw/zinc/96/13/41/376961341.db2.gz OBUXBLZTHUCESW-CVEARBPZSA-N 2 1 278.465 3.165 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340244762 376961352 /nfs/dbraw/zinc/96/13/52/376961352.db2.gz OBUXBLZTHUCESW-CVEARBPZSA-N 2 1 278.465 3.165 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246118436 376969660 /nfs/dbraw/zinc/96/96/60/376969660.db2.gz IWDNXDAKKLDOOX-SWLSCSKDSA-N 2 1 266.816 3.160 20 0 CGADMP CC(C)CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246361722 377015609 /nfs/dbraw/zinc/01/56/09/377015609.db2.gz IOCYKHYDBWBUCA-RRFJBIMHSA-N 2 1 254.462 3.377 20 0 CGADMP CCC[N@H+](C/C=C/c1ccccc1OC)CCC[NH+](C)C ZINC000558419288 377007063 /nfs/dbraw/zinc/00/70/63/377007063.db2.gz MSBROGNUMZUAEP-DHZHZOJOSA-N 2 1 290.451 3.372 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCCF)CC1 ZINC000560159206 377126278 /nfs/dbraw/zinc/12/62/78/377126278.db2.gz KRODQUMRVDQCAY-UHFFFAOYSA-N 2 1 258.425 3.178 20 0 CGADMP C[C@H](c1cccs1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246677419 377070835 /nfs/dbraw/zinc/07/08/35/377070835.db2.gz FXYIBUKMTAJNAC-CHWSQXEVSA-N 2 1 252.427 3.225 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246677419 377070841 /nfs/dbraw/zinc/07/08/41/377070841.db2.gz FXYIBUKMTAJNAC-CHWSQXEVSA-N 2 1 252.427 3.225 20 0 CGADMP C[C@H](c1cccs1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000246677419 377070850 /nfs/dbraw/zinc/07/08/50/377070850.db2.gz FXYIBUKMTAJNAC-CHWSQXEVSA-N 2 1 252.427 3.225 20 0 CGADMP C[C@H](c1cccs1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000246677419 377070857 /nfs/dbraw/zinc/07/08/57/377070857.db2.gz FXYIBUKMTAJNAC-CHWSQXEVSA-N 2 1 252.427 3.225 20 0 CGADMP Cc1ccc(CCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000559310678 377077143 /nfs/dbraw/zinc/07/71/43/377077143.db2.gz BZKZMVQGMGOXJN-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000559310678 377077154 /nfs/dbraw/zinc/07/71/54/377077154.db2.gz BZKZMVQGMGOXJN-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000559310678 377077168 /nfs/dbraw/zinc/07/71/68/377077168.db2.gz BZKZMVQGMGOXJN-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000559283808 377077706 /nfs/dbraw/zinc/07/77/06/377077706.db2.gz XPLWGPKIWJUWBA-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000559283808 377077715 /nfs/dbraw/zinc/07/77/15/377077715.db2.gz XPLWGPKIWJUWBA-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP Clc1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246735571 377078882 /nfs/dbraw/zinc/07/88/82/377078882.db2.gz WHOUUGMHZDRLTI-WFASDCNBSA-N 2 1 291.826 3.188 20 0 CGADMP Clc1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246735571 377078893 /nfs/dbraw/zinc/07/88/93/377078893.db2.gz WHOUUGMHZDRLTI-WFASDCNBSA-N 2 1 291.826 3.188 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC000246817487 377096237 /nfs/dbraw/zinc/09/62/37/377096237.db2.gz BAEDUZSEQOJLHP-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247024975 377141475 /nfs/dbraw/zinc/14/14/75/377141475.db2.gz UYUFBDSYDWGQJD-OLZOCXBDSA-N 2 1 289.448 3.289 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247022452 377142178 /nfs/dbraw/zinc/14/21/78/377142178.db2.gz LVDOZZDVAZDQEZ-ULQDDVLXSA-N 2 1 290.451 3.143 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247022452 377142189 /nfs/dbraw/zinc/14/21/89/377142189.db2.gz LVDOZZDVAZDQEZ-ULQDDVLXSA-N 2 1 290.451 3.143 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2Cl)[C@@H](C)C1 ZINC000247099364 377159656 /nfs/dbraw/zinc/15/96/56/377159656.db2.gz SGOPBFMQRZRBDG-XJKSGUPXSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000247119589 377162072 /nfs/dbraw/zinc/16/20/72/377162072.db2.gz PPJLZHNGBOLENX-IKGGRYGDSA-N 2 1 290.451 3.082 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000247128095 377165208 /nfs/dbraw/zinc/16/52/08/377165208.db2.gz ROSVQULSRDQBNJ-CVEARBPZSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)OCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247131428 377165487 /nfs/dbraw/zinc/16/54/87/377165487.db2.gz ZQMRWPOEHSDYBN-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)OCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247131428 377165495 /nfs/dbraw/zinc/16/54/95/377165495.db2.gz ZQMRWPOEHSDYBN-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)OCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247131428 377165505 /nfs/dbraw/zinc/16/55/05/377165505.db2.gz ZQMRWPOEHSDYBN-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000248072705 377267639 /nfs/dbraw/zinc/26/76/39/377267639.db2.gz MPURJFPZEBPXQW-OWCLPIDISA-N 2 1 290.451 3.119 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000562066324 377274513 /nfs/dbraw/zinc/27/45/13/377274513.db2.gz ULUIDXYOXCXJLQ-NZSAHSFTSA-N 2 1 284.447 3.287 20 0 CGADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[C@H]2C)[C@@H]1C ZINC000248344689 377290750 /nfs/dbraw/zinc/29/07/50/377290750.db2.gz LXBVSFMVABFGFI-QKPAOTATSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[C@H]2C)[C@@H]1C ZINC000248344689 377290756 /nfs/dbraw/zinc/29/07/56/377290756.db2.gz LXBVSFMVABFGFI-QKPAOTATSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[C@H]2C)[C@@H]1C ZINC000248344689 377290766 /nfs/dbraw/zinc/29/07/66/377290766.db2.gz LXBVSFMVABFGFI-QKPAOTATSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161593052 542160036 /nfs/dbraw/zinc/16/00/36/542160036.db2.gz KWODFYLHHKAMDQ-CWLKWCNXSA-N 2 1 272.436 3.395 20 0 CGADMP CCCCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000248824666 377406672 /nfs/dbraw/zinc/40/66/72/377406672.db2.gz FWVGSHWVLZUORN-VEDBGLOESA-N 2 1 294.483 3.185 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000249142120 377470369 /nfs/dbraw/zinc/47/03/69/377470369.db2.gz WEZUGCHLVWOYDE-OTWHNJEPSA-N 2 1 286.463 3.329 20 0 CGADMP CC[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062353 542169673 /nfs/dbraw/zinc/16/96/73/542169673.db2.gz IYHISARURGGOSY-XJKCOSOUSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccccc1F ZINC000164062353 542169677 /nfs/dbraw/zinc/16/96/77/542169677.db2.gz IYHISARURGGOSY-XJKCOSOUSA-N 2 1 264.388 3.349 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000090720183 249029909 /nfs/dbraw/zinc/02/99/09/249029909.db2.gz SCEBDDBLFBNCDO-BXUZGUMPSA-N 2 1 286.341 3.278 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000094896160 249043350 /nfs/dbraw/zinc/04/33/50/249043350.db2.gz IJJHTABHENFJQK-GOSISDBHSA-N 2 1 286.463 3.459 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC000094896156 249043674 /nfs/dbraw/zinc/04/36/74/249043674.db2.gz HRCWZKSMZAXXPG-SFHVURJKSA-N 2 1 274.452 3.317 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000414908409 249124327 /nfs/dbraw/zinc/12/43/27/249124327.db2.gz BHTXWTIBSXPUJY-ZIAGYGMSSA-N 2 1 287.432 3.170 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000249999565 377547073 /nfs/dbraw/zinc/54/70/73/377547073.db2.gz BOHNGWVUBWUKEE-BBWFWOEESA-N 2 1 290.838 3.024 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428045531 249130702 /nfs/dbraw/zinc/13/07/02/249130702.db2.gz QIHOLACNYMEFBI-AZUAARDMSA-N 2 1 294.442 3.456 20 0 CGADMP CCCC[N@@H+](CC)Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)O)c1 ZINC000573676370 377561056 /nfs/dbraw/zinc/56/10/56/377561056.db2.gz JFFVQUFRQXHKLO-JKSUJKDBSA-N 2 1 292.467 3.168 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250521929 377561749 /nfs/dbraw/zinc/56/17/49/377561749.db2.gz CQWVOHZCQYNDEC-SQNIBIBYSA-N 2 1 284.447 3.323 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250539267 377562819 /nfs/dbraw/zinc/56/28/19/377562819.db2.gz TYOZNMWHNLTOKC-YOEHRIQHSA-N 2 1 258.409 3.125 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000250567566 377562935 /nfs/dbraw/zinc/56/29/35/377562935.db2.gz VICQQYUMOPJCEA-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCCC(C)C)cc2)C1 ZINC000470011311 249166546 /nfs/dbraw/zinc/16/65/46/249166546.db2.gz JBFNIMURJGCJNF-KRWDZBQOSA-N 2 1 290.451 3.153 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCCC(C)C)cc2)C1 ZINC000470011311 249166549 /nfs/dbraw/zinc/16/65/49/249166549.db2.gz JBFNIMURJGCJNF-KRWDZBQOSA-N 2 1 290.451 3.153 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000472477712 249167765 /nfs/dbraw/zinc/16/77/65/249167765.db2.gz QUDKKKPVUTTXRY-FUHWJXTLSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477712 249167768 /nfs/dbraw/zinc/16/77/68/249167768.db2.gz QUDKKKPVUTTXRY-FUHWJXTLSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477712 249167770 /nfs/dbraw/zinc/16/77/70/249167770.db2.gz QUDKKKPVUTTXRY-FUHWJXTLSA-N 2 1 286.463 3.454 20 0 CGADMP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251343410 377580594 /nfs/dbraw/zinc/58/05/94/377580594.db2.gz MNORVTFBSXAJJO-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000518558558 249283826 /nfs/dbraw/zinc/28/38/26/249283826.db2.gz YIBDAEZRYKPPEJ-HIFRSBDPSA-N 2 1 270.376 3.258 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000518558558 249283828 /nfs/dbraw/zinc/28/38/28/249283828.db2.gz YIBDAEZRYKPPEJ-HIFRSBDPSA-N 2 1 270.376 3.258 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1 ZINC000518738529 249286029 /nfs/dbraw/zinc/28/60/29/249286029.db2.gz WGBSZNBOGICLJT-ZFWWWQNUSA-N 2 1 278.440 3.104 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135535 542206458 /nfs/dbraw/zinc/20/64/58/542206458.db2.gz UXMYDHJLIKJQOB-ZNMIVQPWSA-N 2 1 292.471 3.127 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135535 542206463 /nfs/dbraw/zinc/20/64/63/542206463.db2.gz UXMYDHJLIKJQOB-ZNMIVQPWSA-N 2 1 292.471 3.127 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135535 542206468 /nfs/dbraw/zinc/20/64/68/542206468.db2.gz UXMYDHJLIKJQOB-ZNMIVQPWSA-N 2 1 292.471 3.127 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252410434 377620683 /nfs/dbraw/zinc/62/06/83/377620683.db2.gz LMDNNZYEXYWRGY-SDKNFDLMSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252667817 377647459 /nfs/dbraw/zinc/64/74/59/377647459.db2.gz OJHBDODPWWIGMH-IRXDYDNUSA-N 2 1 258.409 3.020 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000252839970 377666627 /nfs/dbraw/zinc/66/66/27/377666627.db2.gz BGZSUAKNFWUDKM-LAVFITLUSA-N 2 1 272.436 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000253233032 377680981 /nfs/dbraw/zinc/68/09/81/377680981.db2.gz LPKROYAPNMJXAY-HZPDHXFCSA-N 2 1 298.540 3.476 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000342604705 377688123 /nfs/dbraw/zinc/68/81/23/377688123.db2.gz FFUUWPDBKWBACD-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000342604705 377688126 /nfs/dbraw/zinc/68/81/26/377688126.db2.gz FFUUWPDBKWBACD-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000574812435 377712816 /nfs/dbraw/zinc/71/28/16/377712816.db2.gz DIALULPUDPJBOD-SJLPKXTDSA-N 2 1 272.436 3.256 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261565695 377819009 /nfs/dbraw/zinc/81/90/09/377819009.db2.gz HXXDTFXEIGGGET-OAHLLOKOSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261573932 377821451 /nfs/dbraw/zinc/82/14/51/377821451.db2.gz WHRGALNKPXTUJS-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1ccsc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261697934 377839577 /nfs/dbraw/zinc/83/95/77/377839577.db2.gz LIMPLHQIKSBUTG-CVEARBPZSA-N 2 1 286.444 3.231 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cc2s1 ZINC000261977955 377873362 /nfs/dbraw/zinc/87/33/62/377873362.db2.gz QXXMWOXPRLVJGB-FZMZJTMJSA-N 2 1 289.448 3.164 20 0 CGADMP C[C@]1(Cc2ccccc2)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261965518 377874115 /nfs/dbraw/zinc/87/41/15/377874115.db2.gz PVGKQEDQIIGKER-GOSISDBHSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC12CCCCC2 ZINC000262006146 377877876 /nfs/dbraw/zinc/87/78/76/377877876.db2.gz UOCNADOWZMEZQO-HNNXBMFYSA-N 2 1 264.457 3.278 20 0 CGADMP c1cnc2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2c1 ZINC000262063808 377883965 /nfs/dbraw/zinc/88/39/65/377883965.db2.gz FGQDYELMOXFMKE-UHFFFAOYSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)c1OC(F)F ZINC000261705072 377843160 /nfs/dbraw/zinc/84/31/60/377843160.db2.gz LYTMFRLJNGUBHA-INIZCTEOSA-N 2 1 298.377 3.076 20 0 CGADMP CCOc1c(Cl)cccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000261805478 377854960 /nfs/dbraw/zinc/85/49/60/377854960.db2.gz HGGSVBQXFDIUIB-UHFFFAOYSA-N 2 1 284.831 3.155 20 0 CGADMP CCOc1c(Cl)cccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000261805478 377854964 /nfs/dbraw/zinc/85/49/64/377854964.db2.gz HGGSVBQXFDIUIB-UHFFFAOYSA-N 2 1 284.831 3.155 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000261796744 377855502 /nfs/dbraw/zinc/85/55/02/377855502.db2.gz NWONLAXWRGLXAI-SFHVURJKSA-N 2 1 297.402 3.045 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000261796744 377855506 /nfs/dbraw/zinc/85/55/06/377855506.db2.gz NWONLAXWRGLXAI-SFHVURJKSA-N 2 1 297.402 3.045 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)ccc2c1 ZINC000261823945 377856507 /nfs/dbraw/zinc/85/65/07/377856507.db2.gz AXPAQSARJLIAIV-RDTXWAMCSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262496109 377900801 /nfs/dbraw/zinc/90/08/01/377900801.db2.gz LLOMPFJSEHJETR-LJQANCHMSA-N 2 1 296.414 3.034 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000343421988 377975547 /nfs/dbraw/zinc/97/55/47/377975547.db2.gz OVHQHRHOSVOZJM-OAGGEKHMSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000343421988 377975553 /nfs/dbraw/zinc/97/55/53/377975553.db2.gz OVHQHRHOSVOZJM-OAGGEKHMSA-N 2 1 250.430 3.053 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CCS2 ZINC000343471605 377990808 /nfs/dbraw/zinc/99/08/08/377990808.db2.gz UVXCFUCCVUCQAX-WFASDCNBSA-N 2 1 294.464 3.162 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)CCC[NH+]1CCCC1 ZINC000343629102 378047667 /nfs/dbraw/zinc/04/76/67/378047667.db2.gz YCPNGABDCYGZHF-GQCTYLIASA-N 2 1 294.389 3.396 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1F)CCC[NH+]1CCCC1 ZINC000343629102 378047676 /nfs/dbraw/zinc/04/76/76/378047676.db2.gz YCPNGABDCYGZHF-GQCTYLIASA-N 2 1 294.389 3.396 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000268778634 378107313 /nfs/dbraw/zinc/10/73/13/378107313.db2.gz CBCMFSOXJULBPM-CYBMUJFWSA-N 2 1 275.371 3.380 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000269035101 378178381 /nfs/dbraw/zinc/17/83/81/378178381.db2.gz SKEKEDXPMLQLLV-RISCZKNCSA-N 2 1 282.428 3.292 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)C2 ZINC000582055506 378281549 /nfs/dbraw/zinc/28/15/49/378281549.db2.gz PLODKEJYMGTQFD-FQEVSTJZSA-N 2 1 298.474 3.352 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC000184507952 542236303 /nfs/dbraw/zinc/23/63/03/542236303.db2.gz AIZKWHOEHOIDJK-STQMWFEESA-N 2 1 281.469 3.367 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1c[nH]c2ccccc12 ZINC000582249552 378297238 /nfs/dbraw/zinc/29/72/38/378297238.db2.gz QQQXAOLOPBFJEI-UHFFFAOYSA-N 2 1 296.418 3.356 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1c[nH]c2ccccc12 ZINC000582249552 378297244 /nfs/dbraw/zinc/29/72/44/378297244.db2.gz QQQXAOLOPBFJEI-UHFFFAOYSA-N 2 1 296.418 3.356 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1F)C(C)C ZINC000270873701 378409437 /nfs/dbraw/zinc/40/94/37/378409437.db2.gz USJVPXRYQYTQNR-UHFFFAOYSA-N 2 1 275.371 3.241 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1F)C(C)C ZINC000270873701 378409443 /nfs/dbraw/zinc/40/94/43/378409443.db2.gz USJVPXRYQYTQNR-UHFFFAOYSA-N 2 1 275.371 3.241 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346011485 378437800 /nfs/dbraw/zinc/43/78/00/378437800.db2.gz FGNSVHSTHKSOGK-INIZCTEOSA-N 2 1 298.430 3.465 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000346167897 378488457 /nfs/dbraw/zinc/48/84/57/378488457.db2.gz HDBQBIOMJNKPEV-DZGCQCFKSA-N 2 1 284.407 3.196 20 0 CGADMP Fc1ccc(CC[N@@H+](CCCn2ccnc2)C2CC2)cc1 ZINC000271910755 378513175 /nfs/dbraw/zinc/51/31/75/378513175.db2.gz IOCVVGUPJPRGKK-UHFFFAOYSA-N 2 1 287.382 3.119 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000271919909 378518177 /nfs/dbraw/zinc/51/81/77/378518177.db2.gz ZVWRXXARUASTHV-KDOFPFPSSA-N 2 1 270.420 3.477 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000272003278 378544432 /nfs/dbraw/zinc/54/44/32/378544432.db2.gz SEJUDIQVSXHBJD-ZDUSSCGKSA-N 2 1 275.371 3.114 20 0 CGADMP C[C@@H](NCc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272168958 378575793 /nfs/dbraw/zinc/57/57/93/378575793.db2.gz HJKYAKKUVSTKHM-AEFFLSMTSA-N 2 1 295.430 3.082 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272168958 378575800 /nfs/dbraw/zinc/57/58/00/378575800.db2.gz HJKYAKKUVSTKHM-AEFFLSMTSA-N 2 1 295.430 3.082 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272168958 378575808 /nfs/dbraw/zinc/57/58/08/378575808.db2.gz HJKYAKKUVSTKHM-AEFFLSMTSA-N 2 1 295.430 3.082 20 0 CGADMP CCS[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000346538453 378611040 /nfs/dbraw/zinc/61/10/40/378611040.db2.gz SMLOWUUXMVBKLB-GJZGRUSLSA-N 2 1 281.469 3.236 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000272383154 378625628 /nfs/dbraw/zinc/62/56/28/378625628.db2.gz HYPAUOQVUWSANG-DYVFJYSZSA-N 2 1 269.392 3.023 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000346677622 378673634 /nfs/dbraw/zinc/67/36/34/378673634.db2.gz KSYQKTTWEMDCMI-OAHLLOKOSA-N 2 1 278.371 3.377 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000346849185 378694500 /nfs/dbraw/zinc/69/45/00/378694500.db2.gz RSVOWTRQOASZDP-HOCLYGCPSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CCSCC2)CC1 ZINC000637958944 378647458 /nfs/dbraw/zinc/64/74/58/378647458.db2.gz WLVMQSOVHIZNOB-UHFFFAOYSA-N 2 1 284.513 3.182 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000348049361 378766205 /nfs/dbraw/zinc/76/62/05/378766205.db2.gz QNLJBXDREGLKGS-ROUUACIJSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000348049361 378766208 /nfs/dbraw/zinc/76/62/08/378766208.db2.gz QNLJBXDREGLKGS-ROUUACIJSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000348049361 378766213 /nfs/dbraw/zinc/76/62/13/378766213.db2.gz QNLJBXDREGLKGS-ROUUACIJSA-N 2 1 290.426 3.317 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638318916 378769096 /nfs/dbraw/zinc/76/90/96/378769096.db2.gz XQISOPZYYMNROE-WBVHZDCISA-N 2 1 256.393 3.107 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638318916 378769101 /nfs/dbraw/zinc/76/91/01/378769101.db2.gz XQISOPZYYMNROE-WBVHZDCISA-N 2 1 256.393 3.107 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000638371310 378782604 /nfs/dbraw/zinc/78/26/04/378782604.db2.gz QOLGWUZMUINCNF-QXSJWSMHSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H]([NH2+]C1CC(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274348439 378816753 /nfs/dbraw/zinc/81/67/53/378816753.db2.gz FSZAUGABOCIEMK-HILOLKJVSA-N 2 1 272.436 3.285 20 0 CGADMP CCC[C@@H](C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1)OC ZINC000638562936 378835704 /nfs/dbraw/zinc/83/57/04/378835704.db2.gz GLAJLCRZIQPZRC-KRWDZBQOSA-N 2 1 278.440 3.043 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346848501 218036118 /nfs/dbraw/zinc/03/61/18/218036118.db2.gz DVNYGEJDBYVRJA-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000348262076 378871626 /nfs/dbraw/zinc/87/16/26/378871626.db2.gz QFEMSHKDIASHJQ-KBAYOESNSA-N 2 1 272.436 3.112 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000348249700 378864677 /nfs/dbraw/zinc/86/46/77/378864677.db2.gz VLCCEQYEUQWYOH-IRXDYDNUSA-N 2 1 260.425 3.110 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000348249700 378864682 /nfs/dbraw/zinc/86/46/82/378864682.db2.gz VLCCEQYEUQWYOH-IRXDYDNUSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000274631002 378865964 /nfs/dbraw/zinc/86/59/64/378865964.db2.gz RJSKAOCNTLAHGJ-AWEZNQCLSA-N 2 1 273.424 3.058 20 0 CGADMP C[C@@]1(F)CCC[NH+](CCCC[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000567123985 322151705 /nfs/dbraw/zinc/15/17/05/322151705.db2.gz XDCAKPFKNCANJJ-IYBDPMFKSA-N 2 1 288.426 3.415 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)Cc1ccsc1 ZINC000275133631 378943553 /nfs/dbraw/zinc/94/35/53/378943553.db2.gz LHKXUDSWWQBGLT-ZDUSSCGKSA-N 2 1 277.437 3.206 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)Cc1ccsc1 ZINC000275133631 378943556 /nfs/dbraw/zinc/94/35/56/378943556.db2.gz LHKXUDSWWQBGLT-ZDUSSCGKSA-N 2 1 277.437 3.206 20 0 CGADMP CCC[N@@H+](Cc1sccc1C)C1CC[NH2+]CC1 ZINC000347048021 218104747 /nfs/dbraw/zinc/10/47/47/218104747.db2.gz PJXXIKCTVVYSSZ-UHFFFAOYSA-N 2 1 252.427 3.021 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000567528595 322166946 /nfs/dbraw/zinc/16/69/46/322166946.db2.gz GSPKDTNKZDKGRN-BHYGNILZSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000567528595 322166949 /nfs/dbraw/zinc/16/69/49/322166949.db2.gz GSPKDTNKZDKGRN-BHYGNILZSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000567528595 322166951 /nfs/dbraw/zinc/16/69/51/322166951.db2.gz GSPKDTNKZDKGRN-BHYGNILZSA-N 2 1 264.457 3.252 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000276791434 378997748 /nfs/dbraw/zinc/99/77/48/378997748.db2.gz OYKFAYYLSXFZDO-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000276791434 378997760 /nfs/dbraw/zinc/99/77/60/378997760.db2.gz OYKFAYYLSXFZDO-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347173437 218145652 /nfs/dbraw/zinc/14/56/52/218145652.db2.gz ORICYXBPKQZGLW-QGZVFWFLSA-N 2 1 295.430 3.180 20 0 CGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347121409 218130137 /nfs/dbraw/zinc/13/01/37/218130137.db2.gz OXZJVWVWJFULQX-HNNXBMFYSA-N 2 1 298.430 3.408 20 0 CGADMP CCC[N@H+](Cc1cnc(C2CCC2)s1)C1CC[NH2+]CC1 ZINC000347205442 218154274 /nfs/dbraw/zinc/15/42/74/218154274.db2.gz LOYFGLIIMKDZFH-UHFFFAOYSA-N 2 1 293.480 3.375 20 0 CGADMP CCC[N@@H+](Cc1cnc(C2CCC2)s1)C1CC[NH2+]CC1 ZINC000347205442 218154277 /nfs/dbraw/zinc/15/42/77/218154277.db2.gz LOYFGLIIMKDZFH-UHFFFAOYSA-N 2 1 293.480 3.375 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000639117204 379040223 /nfs/dbraw/zinc/04/02/23/379040223.db2.gz DRHLAMGODHMWTO-BPUTZDHNSA-N 2 1 294.389 3.142 20 0 CGADMP CCC1(CC)CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000568166556 322195554 /nfs/dbraw/zinc/19/55/54/322195554.db2.gz NPUDJJWKZCDOOH-UHFFFAOYSA-N 2 1 263.429 3.255 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639217705 379153581 /nfs/dbraw/zinc/15/35/81/379153581.db2.gz JVKFFYJMIFQPKT-MELADBBJSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000278833656 194175780 /nfs/dbraw/zinc/17/57/80/194175780.db2.gz IZXBLUNNULHTOS-OAHLLOKOSA-N 2 1 271.408 3.365 20 0 CGADMP Clc1c[nH+]ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000278023955 379282712 /nfs/dbraw/zinc/28/27/12/379282712.db2.gz ZTCZFJXALHTAEF-UHFFFAOYSA-N 2 1 265.788 3.021 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278216137 379319896 /nfs/dbraw/zinc/31/98/96/379319896.db2.gz INDNQPYUJAKUOQ-QGZVFWFLSA-N 2 1 284.407 3.118 20 0 CGADMP Cc1c[nH+]ccc1OC1CCN(c2cc[nH+]cc2C)CC1 ZINC000373686660 379320481 /nfs/dbraw/zinc/32/04/81/379320481.db2.gz SSAHGXVSBPOORN-UHFFFAOYSA-N 2 1 283.375 3.141 20 0 CGADMP COc1cccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000192679748 542268234 /nfs/dbraw/zinc/26/82/34/542268234.db2.gz LIWTUSGKIUFRPQ-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000192679748 542268237 /nfs/dbraw/zinc/26/82/37/542268237.db2.gz LIWTUSGKIUFRPQ-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000192679748 542268238 /nfs/dbraw/zinc/26/82/38/542268238.db2.gz LIWTUSGKIUFRPQ-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP CC[C@H](c1ccccc1OC)[N@H+](C)CCn1cc[nH+]c1C ZINC000347593030 218284890 /nfs/dbraw/zinc/28/48/90/218284890.db2.gz FXOVBGSHGBCOJO-MRXNPFEDSA-N 2 1 287.407 3.283 20 0 CGADMP CC[C@H](c1ccccc1OC)[N@@H+](C)CCn1cc[nH+]c1C ZINC000347593030 218284892 /nfs/dbraw/zinc/28/48/92/218284892.db2.gz FXOVBGSHGBCOJO-MRXNPFEDSA-N 2 1 287.407 3.283 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(C)n1 ZINC000639674762 379540697 /nfs/dbraw/zinc/54/06/97/379540697.db2.gz PSMNTEUTRGZVSR-IEBWSBKVSA-N 2 1 296.414 3.315 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000569889214 322259787 /nfs/dbraw/zinc/25/97/87/322259787.db2.gz PSUFLYXZMJRHRH-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000569889214 322259788 /nfs/dbraw/zinc/25/97/88/322259788.db2.gz PSUFLYXZMJRHRH-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000569889214 322259790 /nfs/dbraw/zinc/25/97/90/322259790.db2.gz PSUFLYXZMJRHRH-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376558588 379580374 /nfs/dbraw/zinc/58/03/74/379580374.db2.gz PCQMCVPPJSPSTE-CRAIPNDOSA-N 2 1 298.434 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376558588 379580381 /nfs/dbraw/zinc/58/03/81/379580381.db2.gz PCQMCVPPJSPSTE-CRAIPNDOSA-N 2 1 298.434 3.450 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC000639756246 379570079 /nfs/dbraw/zinc/57/00/79/379570079.db2.gz SQPUSQBTGULXNU-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C(=C/C[N@H+]1CCC[C@@H]1C1CC1)\C[NH+]1CCC[C@@H]1C1CC1 ZINC000377540523 379692756 /nfs/dbraw/zinc/69/27/56/379692756.db2.gz ADYGRMWFTGBPEC-ZHEVZCJESA-N 2 1 274.452 3.291 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000640106656 379722512 /nfs/dbraw/zinc/72/25/12/379722512.db2.gz KJLXSIHFGSQRDF-INIZCTEOSA-N 2 1 275.440 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000640106656 379722516 /nfs/dbraw/zinc/72/25/16/379722516.db2.gz KJLXSIHFGSQRDF-INIZCTEOSA-N 2 1 275.440 3.255 20 0 CGADMP COc1cccc(C2([NH2+]CCCCn3cc[nH+]c3C)CC2)c1 ZINC000352245511 379756421 /nfs/dbraw/zinc/75/64/21/379756421.db2.gz ICPWDDAPBNCWNM-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP COc1cccc(C2([NH2+]CCC[NH+]3CCCCC3)CC2)c1 ZINC000352244936 379756699 /nfs/dbraw/zinc/75/66/99/379756699.db2.gz AJPJKQSUTKNHPI-UHFFFAOYSA-N 2 1 288.435 3.150 20 0 CGADMP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1SC ZINC000352496130 379837833 /nfs/dbraw/zinc/83/78/33/379837833.db2.gz SBLCRGZLOLUQHI-AWEZNQCLSA-N 2 1 294.464 3.120 20 0 CGADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1SC ZINC000352496130 379837844 /nfs/dbraw/zinc/83/78/44/379837844.db2.gz SBLCRGZLOLUQHI-AWEZNQCLSA-N 2 1 294.464 3.120 20 0 CGADMP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352539424 379849315 /nfs/dbraw/zinc/84/93/15/379849315.db2.gz ALZKVFSGISDVCQ-LBPRGKRZSA-N 2 1 281.469 3.144 20 0 CGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352539424 379849318 /nfs/dbraw/zinc/84/93/18/379849318.db2.gz ALZKVFSGISDVCQ-LBPRGKRZSA-N 2 1 281.469 3.144 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000381339272 379867562 /nfs/dbraw/zinc/86/75/62/379867562.db2.gz DVDRXYRRXLWLLJ-CFVMTHIKSA-N 2 1 264.438 3.334 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@]1(C)CCCS1 ZINC000392864072 379913319 /nfs/dbraw/zinc/91/33/19/379913319.db2.gz GAZFPAQHUJZESF-CABCVRRESA-N 2 1 270.486 3.126 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@@]2(C)CCCS2)CCCCC1 ZINC000393119932 379914973 /nfs/dbraw/zinc/91/49/73/379914973.db2.gz ZSZSVFWZHQSNBV-CQSZACIVSA-N 2 1 270.486 3.126 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000352757940 379942365 /nfs/dbraw/zinc/94/23/65/379942365.db2.gz WEMQKHAVARBSJW-KRWDZBQOSA-N 2 1 289.467 3.102 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000352757940 379942369 /nfs/dbraw/zinc/94/23/69/379942369.db2.gz WEMQKHAVARBSJW-KRWDZBQOSA-N 2 1 289.467 3.102 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCCC2(C)C)s1 ZINC000352763840 379946868 /nfs/dbraw/zinc/94/68/68/379946868.db2.gz HUPZJSFRBBCBGC-ZDUSSCGKSA-N 2 1 281.469 3.263 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000401887815 379958697 /nfs/dbraw/zinc/95/86/97/379958697.db2.gz VCYRHDKPWVLTBV-QGZVFWFLSA-N 2 1 269.392 3.020 20 0 CGADMP CC(C)(C)c1cc[nH+]c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000641289437 379986008 /nfs/dbraw/zinc/98/60/08/379986008.db2.gz ZTSVUMILLCCXNY-CYBMUJFWSA-N 2 1 273.424 3.275 20 0 CGADMP CC(C)(C)c1cc[nH+]c(NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000641289437 379986011 /nfs/dbraw/zinc/98/60/11/379986011.db2.gz ZTSVUMILLCCXNY-CYBMUJFWSA-N 2 1 273.424 3.275 20 0 CGADMP Cc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000352832797 379989573 /nfs/dbraw/zinc/98/95/73/379989573.db2.gz PYUBUCPYSPMVFO-GDBMZVCRSA-N 2 1 278.827 3.174 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cscc1C(F)(F)F ZINC000352857903 380007289 /nfs/dbraw/zinc/00/72/89/380007289.db2.gz ZWNSALWICGAPIW-UHFFFAOYSA-N 2 1 294.386 3.444 20 0 CGADMP C[N@H+]1CC=C(CNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641479327 380014350 /nfs/dbraw/zinc/01/43/50/380014350.db2.gz MCYLGPVVMQJLSF-UHFFFAOYSA-N 2 1 259.397 3.053 20 0 CGADMP C[N@@H+]1CC=C(CNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641479327 380014362 /nfs/dbraw/zinc/01/43/62/380014362.db2.gz MCYLGPVVMQJLSF-UHFFFAOYSA-N 2 1 259.397 3.053 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(O)c(C)c2)C[C@@H]1C ZINC000347875633 218387738 /nfs/dbraw/zinc/38/77/38/218387738.db2.gz WRJMVYQUZICYGB-RDJZCZTQSA-N 2 1 290.451 3.314 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(O)c(C)c2)C[C@@H]1C ZINC000347875633 218387739 /nfs/dbraw/zinc/38/77/39/218387739.db2.gz WRJMVYQUZICYGB-RDJZCZTQSA-N 2 1 290.451 3.314 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(O)c(C)c2)C[C@@H]1C ZINC000347875633 218387741 /nfs/dbraw/zinc/38/77/41/218387741.db2.gz WRJMVYQUZICYGB-RDJZCZTQSA-N 2 1 290.451 3.314 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000352893127 380022128 /nfs/dbraw/zinc/02/21/28/380022128.db2.gz MPEIRXWGSOZPNS-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000409445175 380031884 /nfs/dbraw/zinc/03/18/84/380031884.db2.gz HTAOVYYIVQVVTP-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000409445175 380031888 /nfs/dbraw/zinc/03/18/88/380031888.db2.gz HTAOVYYIVQVVTP-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000409445175 380031892 /nfs/dbraw/zinc/03/18/92/380031892.db2.gz HTAOVYYIVQVVTP-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CN1CC[C@@H]2CC[N@@H+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995776 380068777 /nfs/dbraw/zinc/06/87/77/380068777.db2.gz NVEPOBHIYDMABD-CZUORRHYSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@@H+]1CC[C@@H]2CCN(Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995776 380068783 /nfs/dbraw/zinc/06/87/83/380068783.db2.gz NVEPOBHIYDMABD-CZUORRHYSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@H+]1CC[C@@H]2CCN(Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995776 380068787 /nfs/dbraw/zinc/06/87/87/380068787.db2.gz NVEPOBHIYDMABD-CZUORRHYSA-N 2 1 286.444 3.427 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000353099462 380114457 /nfs/dbraw/zinc/11/44/57/380114457.db2.gz XHLKRHFXUROFMP-OIISXLGYSA-N 2 1 260.425 3.108 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000353099462 380114462 /nfs/dbraw/zinc/11/44/62/380114462.db2.gz XHLKRHFXUROFMP-OIISXLGYSA-N 2 1 260.425 3.108 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C12CCCC2 ZINC000414198184 380201933 /nfs/dbraw/zinc/20/19/33/380201933.db2.gz WFYQQOYKHPXNFZ-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414299440 380209187 /nfs/dbraw/zinc/20/91/87/380209187.db2.gz JSCXCBWDJFPZKQ-QPSCCSFWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414299440 380209193 /nfs/dbraw/zinc/20/91/93/380209193.db2.gz JSCXCBWDJFPZKQ-QPSCCSFWSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502015 380324566 /nfs/dbraw/zinc/32/45/66/380324566.db2.gz VWUHKHNYQLBPBM-MSOLQXFVSA-N 2 1 272.436 3.048 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502485 380326043 /nfs/dbraw/zinc/32/60/43/380326043.db2.gz HVHOAKDAOWZUKO-SWLSCSKDSA-N 2 1 282.378 3.018 20 0 CGADMP Cc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000643502416 380327066 /nfs/dbraw/zinc/32/70/66/380327066.db2.gz FQUWQQGYDIVECP-ZWKOTPCHSA-N 2 1 272.436 3.048 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506584 380328278 /nfs/dbraw/zinc/32/82/78/380328278.db2.gz CAVQPTMJWJJRRE-MRXNPFEDSA-N 2 1 260.425 3.130 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCOc2cccc(Cl)c2)CC[NH2+]1 ZINC000414672597 380363906 /nfs/dbraw/zinc/36/39/06/380363906.db2.gz AWUFXPBBPQZTFM-KBPBESRZSA-N 2 1 296.842 3.039 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414671634 380364265 /nfs/dbraw/zinc/36/42/65/380364265.db2.gz MMMSICYEVPMVFG-UHFFFAOYSA-N 2 1 286.341 3.198 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414676561 380367559 /nfs/dbraw/zinc/36/75/59/380367559.db2.gz NVOJCEDLFXQRKE-GDBMZVCRSA-N 2 1 278.415 3.424 20 0 CGADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000414713754 380385864 /nfs/dbraw/zinc/38/58/64/380385864.db2.gz VGQBAPHGAIENBV-CYBMUJFWSA-N 2 1 289.448 3.460 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1csc(Cl)c1 ZINC000643521813 380337967 /nfs/dbraw/zinc/33/79/67/380337967.db2.gz CNMHEFYAXUEHDI-GXSJLCMTSA-N 2 1 258.818 3.194 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000643525889 380341295 /nfs/dbraw/zinc/34/12/95/380341295.db2.gz GTDFRWBTPKTLIM-ZIAGYGMSSA-N 2 1 270.376 3.477 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000643527537 380342911 /nfs/dbraw/zinc/34/29/11/380342911.db2.gz OFJFLHFDKWPKBJ-NHYWBVRUSA-N 2 1 260.381 3.457 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000643526296 380343099 /nfs/dbraw/zinc/34/30/99/380343099.db2.gz XVUVFYHSMGGLPY-UONOGXRCSA-N 2 1 254.377 3.351 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000643528350 380344424 /nfs/dbraw/zinc/34/44/24/380344424.db2.gz HJSPFGIJXXXQKE-VXGBXAGGSA-N 2 1 260.406 3.413 20 0 CGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643529018 380346613 /nfs/dbraw/zinc/34/66/13/380346613.db2.gz SSOJQYPEIIKDKX-KGLIPLIRSA-N 2 1 284.403 3.360 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000643528955 380346948 /nfs/dbraw/zinc/34/69/48/380346948.db2.gz RSKCXTWQBZNSQH-RISCZKNCSA-N 2 1 254.805 3.364 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414761625 380395214 /nfs/dbraw/zinc/39/52/14/380395214.db2.gz UHJCRYDRWDFZBN-HZPDHXFCSA-N 2 1 272.436 3.050 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1F ZINC000643546081 380359003 /nfs/dbraw/zinc/35/90/03/380359003.db2.gz IDYSCCCTHMVHNR-DGCLKSJQSA-N 2 1 280.362 3.290 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414664329 380359071 /nfs/dbraw/zinc/35/90/71/380359071.db2.gz CDYISNJMAIAQMQ-CGTJXYLNSA-N 2 1 272.436 3.038 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2(c3ccccc3)CC2)CC[NH2+]1 ZINC000414760132 380395367 /nfs/dbraw/zinc/39/53/67/380395367.db2.gz YANCUEARXMIJFQ-CVEARBPZSA-N 2 1 272.436 3.038 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000414668528 380360004 /nfs/dbraw/zinc/36/00/04/380360004.db2.gz ADQYGAMPVAZQCK-UHFFFAOYSA-N 2 1 254.377 3.153 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000414668183 380360266 /nfs/dbraw/zinc/36/02/66/380360266.db2.gz ZNVCOKZBMLPIHD-YESZJQIVSA-N 2 1 260.425 3.095 20 0 CGADMP c1cc(-c2ccccc2)oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826045 380436150 /nfs/dbraw/zinc/43/61/50/380436150.db2.gz HZWZEGCRGSOLIQ-XYPWUTKMSA-N 2 1 282.387 3.319 20 0 CGADMP COc1ccc2cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc2c1 ZINC000414830692 380439577 /nfs/dbraw/zinc/43/95/77/380439577.db2.gz BJEAKMVRLOFJDD-QGZVFWFLSA-N 2 1 286.419 3.311 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000414831260 380440329 /nfs/dbraw/zinc/44/03/29/380440329.db2.gz CTYZUZDMNHWTFZ-OAHLLOKOSA-N 2 1 298.430 3.307 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414837244 380444390 /nfs/dbraw/zinc/44/43/90/380444390.db2.gz JGQWPLUSNIFJCK-CZUORRHYSA-N 2 1 266.404 3.110 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414841506 380448269 /nfs/dbraw/zinc/44/82/69/380448269.db2.gz NIEGJIGMWSBNMP-QWRGUYRKSA-N 2 1 254.340 3.071 20 0 CGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414844226 380449394 /nfs/dbraw/zinc/44/93/94/380449394.db2.gz KPEISWDQRNYWKK-NSHDSACASA-N 2 1 287.234 3.268 20 0 CGADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414784472 380403343 /nfs/dbraw/zinc/40/33/43/380403343.db2.gz SJCXNPRLKZRHNT-UHFFFAOYSA-N 2 1 296.414 3.204 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414787625 380405002 /nfs/dbraw/zinc/40/50/02/380405002.db2.gz VQQALLWAOBWSOE-UONOGXRCSA-N 2 1 293.480 3.088 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414790429 380406496 /nfs/dbraw/zinc/40/64/96/380406496.db2.gz ZUUDYPZNSRYFPM-CVEARBPZSA-N 2 1 290.426 3.210 20 0 CGADMP Cc1cc2cc(C[NH2+]CC[C@H]3CCC[NH2+]3)oc2cc1C ZINC000414910987 380485561 /nfs/dbraw/zinc/48/55/61/380485561.db2.gz WAICBYXROXEKBF-OAHLLOKOSA-N 2 1 272.392 3.281 20 0 CGADMP C[C@@H]1[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C[C@H]1c1ccccc1 ZINC000415003954 380505412 /nfs/dbraw/zinc/50/54/12/380505412.db2.gz PPTOSEJFOLZZGM-LCGIIJARSA-N 2 1 294.389 3.013 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414866962 380465165 /nfs/dbraw/zinc/46/51/65/380465165.db2.gz HZKDKAHYZXPTSS-DLBZAZTESA-N 2 1 260.425 3.086 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414866936 380465650 /nfs/dbraw/zinc/46/56/50/380465650.db2.gz NLBQJEWLMHTRMY-PMPSAXMXSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1C(C)(C)C1(C)C ZINC000354515486 380466079 /nfs/dbraw/zinc/46/60/79/380466079.db2.gz SRHDFFZGFBJZQK-AGIUHOORSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1C(C)(C)C1(C)C ZINC000354515486 380466082 /nfs/dbraw/zinc/46/60/82/380466082.db2.gz SRHDFFZGFBJZQK-AGIUHOORSA-N 2 1 252.446 3.129 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3)s2)CCC1 ZINC000414876343 380469752 /nfs/dbraw/zinc/46/97/52/380469752.db2.gz DFDBKACEXOCNPN-UHFFFAOYSA-N 2 1 272.417 3.386 20 0 CGADMP Clc1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414890947 380475482 /nfs/dbraw/zinc/47/54/82/380475482.db2.gz NLBQJEWLMHTRMY-ARFHVFGLSA-N 2 1 278.827 3.318 20 0 CGADMP CC(C)C1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414887107 380476389 /nfs/dbraw/zinc/47/63/89/380476389.db2.gz WYZSVGASRPVSAK-UHFFFAOYSA-N 2 1 289.467 3.366 20 0 CGADMP Clc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414905480 380483338 /nfs/dbraw/zinc/48/33/38/380483338.db2.gz NYRFPIWKWFNBRO-GFCCVEGCSA-N 2 1 273.207 3.225 20 0 CGADMP CC(C)COc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355312256 380637895 /nfs/dbraw/zinc/63/78/95/380637895.db2.gz GHPAVRHJNMGHOM-MRXNPFEDSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355312256 380637900 /nfs/dbraw/zinc/63/79/00/380637900.db2.gz GHPAVRHJNMGHOM-MRXNPFEDSA-N 2 1 290.451 3.105 20 0 CGADMP CC[NH+](CC)CCCCNc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645140261 380592769 /nfs/dbraw/zinc/59/27/69/380592769.db2.gz SISGNNXPJVMCKD-UHFFFAOYSA-N 2 1 289.427 3.109 20 0 CGADMP C[C@@H]([NH2+]CC1=CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000645854119 380753465 /nfs/dbraw/zinc/75/34/65/380753465.db2.gz VKTYLXRARXIWEA-ZBFHGGJFSA-N 2 1 262.441 3.339 20 0 CGADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC1CCC1 ZINC000355606680 380726210 /nfs/dbraw/zinc/72/62/10/380726210.db2.gz MKWIQYIMDZTHDQ-UHFFFAOYSA-N 2 1 284.407 3.198 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645977560 380788940 /nfs/dbraw/zinc/78/89/40/380788940.db2.gz HJOKDBBJFGYARM-UHFFFAOYSA-N 2 1 275.783 3.124 20 0 CGADMP CC(C)c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357038958 381006164 /nfs/dbraw/zinc/00/61/64/381006164.db2.gz AMTKSCBWHANHMV-CQSZACIVSA-N 2 1 293.480 3.088 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OC)c1 ZINC000360028453 381418275 /nfs/dbraw/zinc/41/82/75/381418275.db2.gz FONGOLHIYQQUQE-BQFCYCMXSA-N 2 1 288.435 3.363 20 0 CGADMP CC(C)c1ncc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000360167230 381465148 /nfs/dbraw/zinc/46/51/48/381465148.db2.gz WCNLIFIBLFFSFX-UHFFFAOYSA-N 2 1 295.496 3.478 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000360677931 381616131 /nfs/dbraw/zinc/61/61/31/381616131.db2.gz BNMVQZVRFPHKRE-HOCLYGCPSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000360677931 381616138 /nfs/dbraw/zinc/61/61/38/381616138.db2.gz BNMVQZVRFPHKRE-HOCLYGCPSA-N 2 1 261.413 3.094 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000334866677 207212988 /nfs/dbraw/zinc/21/29/88/207212988.db2.gz BPPXPJYHAMKKEL-IEBWSBKVSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000361768693 381868023 /nfs/dbraw/zinc/86/80/23/381868023.db2.gz ROMDJDDAXKTBFD-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC[N@H+]1C ZINC000361768693 381868028 /nfs/dbraw/zinc/86/80/28/381868028.db2.gz ROMDJDDAXKTBFD-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+](Cc1cc(F)cc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000362507329 382024566 /nfs/dbraw/zinc/02/45/66/382024566.db2.gz VQRPVCLUZKWUEX-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000365549314 382289038 /nfs/dbraw/zinc/28/90/38/382289038.db2.gz QVOIDWADPRKQNY-CQSZACIVSA-N 2 1 292.386 3.352 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000366535196 382312509 /nfs/dbraw/zinc/31/25/09/382312509.db2.gz NHRHLALJTFYOMH-BHYGNILZSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000366535196 382312512 /nfs/dbraw/zinc/31/25/12/382312512.db2.gz NHRHLALJTFYOMH-BHYGNILZSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000366535196 382312514 /nfs/dbraw/zinc/31/25/14/382312514.db2.gz NHRHLALJTFYOMH-BHYGNILZSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000366535199 382312615 /nfs/dbraw/zinc/31/26/15/382312615.db2.gz NHRHLALJTFYOMH-XIRDDKMYSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000366535199 382312618 /nfs/dbraw/zinc/31/26/18/382312618.db2.gz NHRHLALJTFYOMH-XIRDDKMYSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000366535199 382312622 /nfs/dbraw/zinc/31/26/22/382312622.db2.gz NHRHLALJTFYOMH-XIRDDKMYSA-N 2 1 262.441 3.006 20 0 CGADMP FCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000367206380 382339319 /nfs/dbraw/zinc/33/93/19/382339319.db2.gz QIJFCPOOZAOFFP-MRXNPFEDSA-N 2 1 270.436 3.324 20 0 CGADMP Fc1cccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000245735508 542323180 /nfs/dbraw/zinc/32/31/80/542323180.db2.gz KDTMSYGVMKHVRI-HOTGVXAUSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000245735508 542323184 /nfs/dbraw/zinc/32/31/84/542323184.db2.gz KDTMSYGVMKHVRI-HOTGVXAUSA-N 2 1 274.383 3.031 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2cc(C)ccc2C)CC[C@H]1[NH3+] ZINC000251633783 542347120 /nfs/dbraw/zinc/34/71/20/542347120.db2.gz FPAQSIBMEJTSQJ-IAGOWNOFSA-N 2 1 290.451 3.132 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000516191881 535472018 /nfs/dbraw/zinc/47/20/18/535472018.db2.gz YJFHNQJSMQNPRT-CQSZACIVSA-N 2 1 287.407 3.102 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417028 542350140 /nfs/dbraw/zinc/35/01/40/542350140.db2.gz QBBHTQAUHHALNK-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000280912642 195025652 /nfs/dbraw/zinc/02/56/52/195025652.db2.gz SGUVJXBUOPNUGI-DZGCQCFKSA-N 2 1 278.465 3.023 20 0 CGADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000423395959 533005626 /nfs/dbraw/zinc/00/56/26/533005626.db2.gz TXZZGXUDPLLNLS-GVXVVHGQSA-N 2 1 282.428 3.339 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@@H](C)[NH3+])CC1 ZINC000335357938 208267339 /nfs/dbraw/zinc/26/73/39/208267339.db2.gz FMCZWMOTKPIWOO-CYBMUJFWSA-N 2 1 269.392 3.107 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c1OC ZINC000423260645 533112285 /nfs/dbraw/zinc/11/22/85/533112285.db2.gz HVFAWPBJOXTDJV-ZIAGYGMSSA-N 2 1 294.439 3.036 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293570965 542403804 /nfs/dbraw/zinc/40/38/04/542403804.db2.gz MXPGHHJFDOKCKR-UHFFFAOYSA-N 2 1 269.392 3.249 20 0 CGADMP c1ccc2c(c1)CCC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000317398248 542438276 /nfs/dbraw/zinc/43/82/76/542438276.db2.gz NEYXWTZCVMBOBW-UHFFFAOYSA-N 2 1 292.426 3.281 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)C[C@H]1c1ccccc1 ZINC000334520228 542458174 /nfs/dbraw/zinc/45/81/74/542458174.db2.gz NYXJOEYQJKBUMX-GYXIZQIFSA-N 2 1 276.399 3.302 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)C[C@H]1c1ccccc1 ZINC000334520228 542458178 /nfs/dbraw/zinc/45/81/78/542458178.db2.gz NYXJOEYQJKBUMX-GYXIZQIFSA-N 2 1 276.399 3.302 20 0 CGADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000281403475 195228116 /nfs/dbraw/zinc/22/81/16/195228116.db2.gz YVZANYOLGSXACV-INIZCTEOSA-N 2 1 294.414 3.142 20 0 CGADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000281403475 195228117 /nfs/dbraw/zinc/22/81/17/195228117.db2.gz YVZANYOLGSXACV-INIZCTEOSA-N 2 1 294.414 3.142 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068512 542486264 /nfs/dbraw/zinc/48/62/64/542486264.db2.gz PSMIEKVTCBKMPE-XIRDDKMYSA-N 2 1 288.435 3.363 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C[NH3+])CC(C)C ZINC000423264643 533249263 /nfs/dbraw/zinc/24/92/63/533249263.db2.gz PZPPODJSYWOIHZ-YOEHRIQHSA-N 2 1 276.424 3.036 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCC[NH+]2C(C)C)C[C@H]1C ZINC000450466855 285396100 /nfs/dbraw/zinc/39/61/00/285396100.db2.gz JYTRGEJJQPAHPJ-SQNIBIBYSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC000450466855 285396101 /nfs/dbraw/zinc/39/61/01/285396101.db2.gz JYTRGEJJQPAHPJ-SQNIBIBYSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC000450466855 285396102 /nfs/dbraw/zinc/39/61/02/285396102.db2.gz JYTRGEJJQPAHPJ-SQNIBIBYSA-N 2 1 295.515 3.054 20 0 CGADMP COc1ccc2cc([C@@H](C)[NH2+][C@@H](C[NH3+])C3CC3)ccc2c1 ZINC000423285843 533336414 /nfs/dbraw/zinc/33/64/14/533336414.db2.gz YVRQZAZACJYMJY-XIKOKIGWSA-N 2 1 284.403 3.236 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+]C[C@H]([NH3+])C3CC3)ccc2c1 ZINC000423339189 533338065 /nfs/dbraw/zinc/33/80/65/533338065.db2.gz ZIJPTTKDUHYAGJ-SGTLLEGYSA-N 2 1 284.403 3.236 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000414069098 533338879 /nfs/dbraw/zinc/33/88/79/533338879.db2.gz RHVAGKNWPXIULM-MDZRGWNJSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cn[nH]c1 ZINC000358346833 533339972 /nfs/dbraw/zinc/33/99/72/533339972.db2.gz AXVFAJHINWABNS-CPUCHLNUSA-N 2 1 290.455 3.103 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1nccs1 ZINC000357778244 533378485 /nfs/dbraw/zinc/37/84/85/533378485.db2.gz MOMIJHHHJKTLJV-ZIAGYGMSSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000423476502 533434463 /nfs/dbraw/zinc/43/44/63/533434463.db2.gz LPZZXWCUSDHUKM-OJLVUWQFSA-N 2 1 294.389 3.013 20 0 CGADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390755575 542611318 /nfs/dbraw/zinc/61/13/18/542611318.db2.gz VRDZUVGHUZIOCJ-SFHVURJKSA-N 2 1 297.446 3.027 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000020553445 391939589 /nfs/dbraw/zinc/93/95/89/391939589.db2.gz PFLGVUUXMNIKOL-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP Fc1ccc(C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000037141041 391980296 /nfs/dbraw/zinc/98/02/96/391980296.db2.gz YXUBZSYQMZYZSX-UHFFFAOYSA-N 2 1 288.410 3.288 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000052332509 392076121 /nfs/dbraw/zinc/07/61/21/392076121.db2.gz FJKMEQIABAAYFO-OHRKKDJYSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C1CCCCC1 ZINC000052335113 392076490 /nfs/dbraw/zinc/07/64/90/392076490.db2.gz SRNNSFGWKBCRQL-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000069381528 392172693 /nfs/dbraw/zinc/17/26/93/392172693.db2.gz XVZBCEBEMIZELN-YNEHKIRRSA-N 2 1 290.373 3.181 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000090234591 392228738 /nfs/dbraw/zinc/22/87/38/392228738.db2.gz JURMZCLMZVZVLJ-QLFBSQMISA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000092797667 392232578 /nfs/dbraw/zinc/23/25/78/392232578.db2.gz XGUYGCYPRBEGMD-BZUAXINKSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000092797667 392232583 /nfs/dbraw/zinc/23/25/83/392232583.db2.gz XGUYGCYPRBEGMD-BZUAXINKSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000092797667 392232586 /nfs/dbraw/zinc/23/25/86/392232586.db2.gz XGUYGCYPRBEGMD-BZUAXINKSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2(C)CCC2)C1 ZINC000434757571 542655672 /nfs/dbraw/zinc/65/56/72/542655672.db2.gz QASAUYNYFKDIPE-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2(C)CCC2)C1 ZINC000434757571 542655675 /nfs/dbraw/zinc/65/56/75/542655675.db2.gz QASAUYNYFKDIPE-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000123694431 392430053 /nfs/dbraw/zinc/43/00/53/392430053.db2.gz ZZVSNKNNOOSYBK-CQSZACIVSA-N 2 1 299.256 3.254 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000130048401 392453147 /nfs/dbraw/zinc/45/31/47/392453147.db2.gz DJSYLCCXOMGRJQ-YVEFUNNKSA-N 2 1 290.838 3.401 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000136398829 392477619 /nfs/dbraw/zinc/47/76/19/392477619.db2.gz MQDJHVVVBZOURM-KRWDZBQOSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000136398829 392477623 /nfs/dbraw/zinc/47/76/23/392477623.db2.gz MQDJHVVVBZOURM-KRWDZBQOSA-N 2 1 291.439 3.005 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C)cc1 ZINC000368001677 392484831 /nfs/dbraw/zinc/48/48/31/392484831.db2.gz ZJAGQQOAQQDPSU-CABCVRRESA-N 2 1 269.392 3.316 20 0 CGADMP CC[C@@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947280 392490216 /nfs/dbraw/zinc/49/02/16/392490216.db2.gz PSTQBLIHWIKCHP-USXIJHARSA-N 2 1 290.451 3.465 20 0 CGADMP CC[C@@H](N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947280 392490222 /nfs/dbraw/zinc/49/02/22/392490222.db2.gz PSTQBLIHWIKCHP-USXIJHARSA-N 2 1 290.451 3.465 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000369222817 392497563 /nfs/dbraw/zinc/49/75/63/392497563.db2.gz BVYPGKFKZDZPBI-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](c1cc(F)ccc1F)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158500414 392568503 /nfs/dbraw/zinc/56/85/03/392568503.db2.gz YZYMITNTKWBZJB-PBFPGSCMSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000158676227 392574255 /nfs/dbraw/zinc/57/42/55/392574255.db2.gz HMVPRTFFKNHCSU-ZNMIVQPWSA-N 2 1 293.430 3.239 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000158676227 392574258 /nfs/dbraw/zinc/57/42/58/392574258.db2.gz HMVPRTFFKNHCSU-ZNMIVQPWSA-N 2 1 293.430 3.239 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccon2)CC1 ZINC000158902580 392579635 /nfs/dbraw/zinc/57/96/35/392579635.db2.gz VPZVSOUHEVEVRU-HNNXBMFYSA-N 2 1 291.439 3.151 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccon2)CC1 ZINC000158902580 392579640 /nfs/dbraw/zinc/57/96/40/392579640.db2.gz VPZVSOUHEVEVRU-HNNXBMFYSA-N 2 1 291.439 3.151 20 0 CGADMP CCS[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163119053 392600919 /nfs/dbraw/zinc/60/09/19/392600919.db2.gz PQJAOBVKHIWQPU-KBXIAJHMSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163119053 392600922 /nfs/dbraw/zinc/60/09/22/392600922.db2.gz PQJAOBVKHIWQPU-KBXIAJHMSA-N 2 1 270.486 3.123 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163732936 392604121 /nfs/dbraw/zinc/60/41/21/392604121.db2.gz RVZPGELRJNCWOZ-NXHRZFHOSA-N 2 1 274.452 3.470 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163732936 392604124 /nfs/dbraw/zinc/60/41/24/392604124.db2.gz RVZPGELRJNCWOZ-NXHRZFHOSA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000156218213 392546553 /nfs/dbraw/zinc/54/65/53/392546553.db2.gz PGNYZLXJGYUJMB-BMFZPTHFSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000156218213 392546561 /nfs/dbraw/zinc/54/65/61/392546561.db2.gz PGNYZLXJGYUJMB-BMFZPTHFSA-N 2 1 252.446 3.418 20 0 CGADMP C(=C/C[N@H+]1CC[C@@H](C2CC2)C1)\C[NH+]1CC[C@H](C2CC2)C1 ZINC000372860255 392642005 /nfs/dbraw/zinc/64/20/05/392642005.db2.gz SZQQATVIWYYYAB-KVHJKKSTSA-N 2 1 274.452 3.006 20 0 CGADMP C(=C/C[N@@H+]1CC[C@H](C2CC2)C1)\C[NH+]1CC[C@@H](C2CC2)C1 ZINC000372860255 392642008 /nfs/dbraw/zinc/64/20/08/392642008.db2.gz SZQQATVIWYYYAB-KVHJKKSTSA-N 2 1 274.452 3.006 20 0 CGADMP C(=C/C[N@H+]1CC[C@H](C2CC2)C1)\C[NH+]1CC[C@@H](C2CC2)C1 ZINC000372860255 392642013 /nfs/dbraw/zinc/64/20/13/392642013.db2.gz SZQQATVIWYYYAB-KVHJKKSTSA-N 2 1 274.452 3.006 20 0 CGADMP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480323 392735279 /nfs/dbraw/zinc/73/52/79/392735279.db2.gz JRHSKLAQZJZHGM-IDIOJLOMSA-N 2 1 288.410 3.303 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480323 392735280 /nfs/dbraw/zinc/73/52/80/392735280.db2.gz JRHSKLAQZJZHGM-IDIOJLOMSA-N 2 1 288.410 3.303 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482524 392736155 /nfs/dbraw/zinc/73/61/55/392736155.db2.gz MAWBGXQRYPUDKG-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP c1oc2ccccc2c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482547 392737438 /nfs/dbraw/zinc/73/74/38/392737438.db2.gz OEAJAHFMKTVXKI-UHFFFAOYSA-N 2 1 270.376 3.149 20 0 CGADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000647513171 392744673 /nfs/dbraw/zinc/74/46/73/392744673.db2.gz HNNWFODMAIILCF-GOSISDBHSA-N 2 1 274.452 3.416 20 0 CGADMP Fc1cccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542927 392759859 /nfs/dbraw/zinc/75/98/59/392759859.db2.gz DTFGWZDHOSLBAX-UONOGXRCSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543782 392760165 /nfs/dbraw/zinc/76/01/65/392760165.db2.gz RYUNEGRGAHEIQR-GJZGRUSLSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647543584 392760746 /nfs/dbraw/zinc/76/07/46/392760746.db2.gz PUSYNEVHUOEVMQ-ZIAGYGMSSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542733 392761083 /nfs/dbraw/zinc/76/10/83/392761083.db2.gz BBMQFBKRHKBURN-CVEARBPZSA-N 2 1 276.399 3.037 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000647545748 392762792 /nfs/dbraw/zinc/76/27/92/392762792.db2.gz MCOPOPPGHVGAMF-IAGOWNOFSA-N 2 1 286.463 3.286 20 0 CGADMP Cc1ccc(C2([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CCC2)cc1 ZINC000647353251 392701783 /nfs/dbraw/zinc/70/17/83/392701783.db2.gz UZBFVUAPHLOUFS-WBVHZDCISA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CCC2)cc1 ZINC000647353251 392701792 /nfs/dbraw/zinc/70/17/92/392701792.db2.gz UZBFVUAPHLOUFS-WBVHZDCISA-N 2 1 272.436 3.447 20 0 CGADMP CC[C@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000647936931 392837579 /nfs/dbraw/zinc/83/75/79/392837579.db2.gz NOJKUZRJEZGFLE-XHDPSFHLSA-N 2 1 284.806 3.081 20 0 CGADMP CC[C@H]1C[N@@H+](CCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000647936931 392837581 /nfs/dbraw/zinc/83/75/81/392837581.db2.gz NOJKUZRJEZGFLE-XHDPSFHLSA-N 2 1 284.806 3.081 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937052 392837626 /nfs/dbraw/zinc/83/76/26/392837626.db2.gz QDESKBPWIVNOLR-GDBMZVCRSA-N 2 1 280.843 3.332 20 0 CGADMP C[NH+](CCCCC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375751436 392814342 /nfs/dbraw/zinc/81/43/42/392814342.db2.gz RWUWLYPILPLGSV-JWTNVVGKSA-N 2 1 294.483 3.140 20 0 CGADMP C[NH+](CCCCC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375751436 392814346 /nfs/dbraw/zinc/81/43/46/392814346.db2.gz RWUWLYPILPLGSV-JWTNVVGKSA-N 2 1 294.483 3.140 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000647874630 392821448 /nfs/dbraw/zinc/82/14/48/392821448.db2.gz IFKFNHKKLKWNKN-HNNXBMFYSA-N 2 1 290.451 3.468 20 0 CGADMP Fc1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)c(F)c1 ZINC000647879594 392822426 /nfs/dbraw/zinc/82/24/26/392822426.db2.gz XQHLIUBVLVKPSV-CYBMUJFWSA-N 2 1 294.389 3.319 20 0 CGADMP Fc1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)c(F)c1 ZINC000647879594 392822432 /nfs/dbraw/zinc/82/24/32/392822432.db2.gz XQHLIUBVLVKPSV-CYBMUJFWSA-N 2 1 294.389 3.319 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)CCc1ccc(F)cc1 ZINC000647881224 392822801 /nfs/dbraw/zinc/82/28/01/392822801.db2.gz VQFXNVWYXNROJL-UHFFFAOYSA-N 2 1 278.415 3.080 20 0 CGADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000647884330 392825404 /nfs/dbraw/zinc/82/54/04/392825404.db2.gz BPRHVDBVVXKZKA-KRWDZBQOSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1C ZINC000647889446 392826585 /nfs/dbraw/zinc/82/65/85/392826585.db2.gz RMWAHJULTONOHA-AEFFLSMTSA-N 2 1 272.436 3.440 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000647888119 392826731 /nfs/dbraw/zinc/82/67/31/392826731.db2.gz NJJKHEAWADOOBQ-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647904136 392829101 /nfs/dbraw/zinc/82/91/01/392829101.db2.gz XKYJDTZFFDLKBA-ZWKOTPCHSA-N 2 1 272.436 3.002 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337510201 392888309 /nfs/dbraw/zinc/88/83/09/392888309.db2.gz INWFFZHPWGRVSJ-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC2CCC1CC2 ZINC000381831576 392914848 /nfs/dbraw/zinc/91/48/48/392914848.db2.gz GGQALNKVQNGNMZ-RKUYKLOISA-N 2 1 276.468 3.418 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647990053 392858346 /nfs/dbraw/zinc/85/83/46/392858346.db2.gz XZJYYEZRHPTHLA-STQMWFEESA-N 2 1 281.469 3.177 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647990053 392858350 /nfs/dbraw/zinc/85/83/50/392858350.db2.gz XZJYYEZRHPTHLA-STQMWFEESA-N 2 1 281.469 3.177 20 0 CGADMP CN(c1cc[nH+]c2cc(F)ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376174659 392870289 /nfs/dbraw/zinc/87/02/89/392870289.db2.gz RLVRVCRCBXPAHH-YIONKMFJSA-N 2 1 299.393 3.435 20 0 CGADMP CN(c1cc[nH+]c2cc(F)ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376174659 392870295 /nfs/dbraw/zinc/87/02/95/392870295.db2.gz RLVRVCRCBXPAHH-YIONKMFJSA-N 2 1 299.393 3.435 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000519641850 392875291 /nfs/dbraw/zinc/87/52/91/392875291.db2.gz VNFDWTOLFAZEFT-SCVCMEIPSA-N 2 1 270.779 3.270 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000521292572 542739064 /nfs/dbraw/zinc/73/90/64/542739064.db2.gz PWOMIDQQEVXNCG-YALNPMBYSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000220747102 393004833 /nfs/dbraw/zinc/00/48/33/393004833.db2.gz QKQMYDCLEOWSSO-UONOGXRCSA-N 2 1 279.403 3.136 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648413209 393004745 /nfs/dbraw/zinc/00/47/45/393004745.db2.gz HVEUQHZMJRPBEI-UHFFFAOYSA-N 2 1 295.814 3.301 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648413209 393004749 /nfs/dbraw/zinc/00/47/49/393004749.db2.gz HVEUQHZMJRPBEI-UHFFFAOYSA-N 2 1 295.814 3.301 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000648417826 393007245 /nfs/dbraw/zinc/00/72/45/393007245.db2.gz BEFMHZCTSWWFSW-CRAIPNDOSA-N 2 1 284.447 3.008 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648433227 393013796 /nfs/dbraw/zinc/01/37/96/393013796.db2.gz MTLRCDFJRMJAMJ-QFBILLFUSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCC1 ZINC000248393244 393086709 /nfs/dbraw/zinc/08/67/09/393086709.db2.gz DRXFTILOEKGRHW-DZKIICNBSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000248394286 393086800 /nfs/dbraw/zinc/08/68/00/393086800.db2.gz FNSYEBUIJBWHRT-YDHLFZDLSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000346524497 393089358 /nfs/dbraw/zinc/08/93/58/393089358.db2.gz GHNVIENTBPQOQJ-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415033306 393104163 /nfs/dbraw/zinc/10/41/63/393104163.db2.gz BMAVFASGVAFHSN-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000414060788 393037735 /nfs/dbraw/zinc/03/77/35/393037735.db2.gz JZFPIISYWCEOIF-VNQPRFMTSA-N 2 1 294.483 3.043 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000414176030 393042339 /nfs/dbraw/zinc/04/23/39/393042339.db2.gz HVTPQTIOTDJPME-RHSMWYFYSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414654695 393050463 /nfs/dbraw/zinc/05/04/63/393050463.db2.gz CJYCYZHDCMPBLY-XYVMCAHJSA-N 2 1 272.436 3.166 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414821009 393054376 /nfs/dbraw/zinc/05/43/76/393054376.db2.gz BMQZJEIUNIRVRK-DZGCQCFKSA-N 2 1 266.816 3.175 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C[NH3+] ZINC000414935689 393058052 /nfs/dbraw/zinc/05/80/52/393058052.db2.gz BFORNCKTSLUGLU-JOYOIKCWSA-N 2 1 275.223 3.251 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[NH2+]1 ZINC000414949115 393058905 /nfs/dbraw/zinc/05/89/05/393058905.db2.gz NAGJZLAUSLQCAR-TZMCWYRMSA-N 2 1 287.432 3.040 20 0 CGADMP CC[NH+]1CCC([NH2+][C@]2(C)CCCc3ccccc32)CC1 ZINC000546606269 393060677 /nfs/dbraw/zinc/06/06/77/393060677.db2.gz MSXIBMITBOWCHP-GOSISDBHSA-N 2 1 272.436 3.312 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414952735 393061584 /nfs/dbraw/zinc/06/15/84/393061584.db2.gz IVBYJVYHTMBTDP-ZANVPECISA-N 2 1 273.207 3.081 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414956650 393062676 /nfs/dbraw/zinc/06/26/76/393062676.db2.gz PYKZQALPPLGITM-TYNCELHUSA-N 2 1 266.816 3.001 20 0 CGADMP C[NH2+][C@@H](C)C[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414963342 393068754 /nfs/dbraw/zinc/06/87/54/393068754.db2.gz AQQVJFXUJFKQAC-UQPPLGOBSA-N 2 1 260.425 3.158 20 0 CGADMP CC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414966927 393071493 /nfs/dbraw/zinc/07/14/93/393071493.db2.gz WVYDQXCKJHMKBP-NORZTCDRSA-N 2 1 282.378 3.046 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000414987694 393080814 /nfs/dbraw/zinc/08/08/14/393080814.db2.gz YYJQDXGSPZINIE-HNNXBMFYSA-N 2 1 270.376 3.306 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000351269699 393173551 /nfs/dbraw/zinc/17/35/51/393173551.db2.gz MRIKDQWZKXXFFY-OAHLLOKOSA-N 2 1 272.502 3.326 20 0 CGADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000415049289 393112627 /nfs/dbraw/zinc/11/26/27/393112627.db2.gz XTTQMJQJWBSOFJ-CQSZACIVSA-N 2 1 284.806 3.142 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000415049350 393112911 /nfs/dbraw/zinc/11/29/11/393112911.db2.gz XZGTUKVTTBLURY-MRXNPFEDSA-N 2 1 260.425 3.083 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@@]1(C)C[NH3+] ZINC000415059168 393119089 /nfs/dbraw/zinc/11/90/89/393119089.db2.gz XFKZSUOXEHSYBW-DNVCBOLYSA-N 2 1 295.430 3.165 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057369 393119189 /nfs/dbraw/zinc/11/91/89/393119189.db2.gz UAMOVTRFYOFTPX-OKMWKSJFSA-N 2 1 270.420 3.164 20 0 CGADMP c1ccc(C[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415083347 393136942 /nfs/dbraw/zinc/13/69/42/393136942.db2.gz PUDYRELFTZSBQY-RCCFBDPRSA-N 2 1 272.436 3.130 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1C[NH3+] ZINC000415103215 393144902 /nfs/dbraw/zinc/14/49/02/393144902.db2.gz CULRSVAJNQFTBO-MAUKXSAKSA-N 2 1 295.430 3.165 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000648639383 393158562 /nfs/dbraw/zinc/15/85/62/393158562.db2.gz SQGZYSIAIIZKQT-ULQDDVLXSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000648772097 393245232 /nfs/dbraw/zinc/24/52/32/393245232.db2.gz OMDGKTQAZBRQAG-FFHGMXDLSA-N 2 1 278.465 3.284 20 0 CGADMP c1ccc2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000271194245 393246816 /nfs/dbraw/zinc/24/68/16/393246816.db2.gz MZGSKOXJMLRLSS-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP c1ccc2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000271194245 393246821 /nfs/dbraw/zinc/24/68/21/393246821.db2.gz MZGSKOXJMLRLSS-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP CCC[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000271906928 393255176 /nfs/dbraw/zinc/25/51/76/393255176.db2.gz LJTXXDOBWUOJOZ-MRXNPFEDSA-N 2 1 260.425 3.254 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccs1 ZINC000471781224 393303045 /nfs/dbraw/zinc/30/30/45/393303045.db2.gz PFTYWLPGTPNCHX-CQSZACIVSA-N 2 1 277.437 3.401 20 0 CGADMP Cc1cccc(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475571605 393408451 /nfs/dbraw/zinc/40/84/51/393408451.db2.gz VYSCUBPCGTVGII-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+]CCc1ccc(F)cc1Cl ZINC000356167905 393366058 /nfs/dbraw/zinc/36/60/58/393366058.db2.gz PARVRLWHXXGWNL-LBPRGKRZSA-N 2 1 286.822 3.342 20 0 CGADMP CC(C)N1CCCC[C@H]1C[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419361127 393369293 /nfs/dbraw/zinc/36/92/93/393369293.db2.gz SQVUPKMZQAPYTG-QXSJWSMHSA-N 2 1 252.446 3.226 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000475159441 393380273 /nfs/dbraw/zinc/38/02/73/393380273.db2.gz YDUWFZHPLTVWRK-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000488296560 393481897 /nfs/dbraw/zinc/48/18/97/393481897.db2.gz JTNWNXQYMKPDAC-WCXIOVBPSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000488296560 393481901 /nfs/dbraw/zinc/48/19/01/393481901.db2.gz JTNWNXQYMKPDAC-WCXIOVBPSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000488296560 393481909 /nfs/dbraw/zinc/48/19/09/393481909.db2.gz JTNWNXQYMKPDAC-WCXIOVBPSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420294597 393451439 /nfs/dbraw/zinc/45/14/39/393451439.db2.gz BJCDZDJOFYKUPV-FMKPAKJESA-N 2 1 276.399 3.003 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399745 393482454 /nfs/dbraw/zinc/48/24/54/393482454.db2.gz OGJNJTRRFHLACN-RTBURBONSA-N 2 1 286.463 3.392 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(OC(F)F)cc1 ZINC000420300440 393454920 /nfs/dbraw/zinc/45/49/20/393454920.db2.gz HKGAKJYZNNZHTR-CYBMUJFWSA-N 2 1 298.377 3.110 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301637 393455772 /nfs/dbraw/zinc/45/57/72/393455772.db2.gz IQZHSQMJOYKWMB-HZPDHXFCSA-N 2 1 276.424 3.002 20 0 CGADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1c(F)cccc1Cl ZINC000420302273 393455914 /nfs/dbraw/zinc/45/59/14/393455914.db2.gz JKSMXDIBBWABGY-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1c(F)cccc1Cl ZINC000420302273 393455917 /nfs/dbraw/zinc/45/59/17/393455917.db2.gz JKSMXDIBBWABGY-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420399743 393482608 /nfs/dbraw/zinc/48/26/08/393482608.db2.gz OGJNJTRRFHLACN-RBUKOAKNSA-N 2 1 286.463 3.392 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(Cl)c1Cl ZINC000420301640 393456118 /nfs/dbraw/zinc/45/61/18/393456118.db2.gz IRAMZCYFMPPMGA-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP Fc1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC2CC2)cc1 ZINC000420299651 393456214 /nfs/dbraw/zinc/45/62/14/393456214.db2.gz JEHGPIJRTMIHBY-OAHLLOKOSA-N 2 1 290.426 3.427 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420301706 393456335 /nfs/dbraw/zinc/45/63/35/393456335.db2.gz IURUDNITRNMIAY-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CC[N@@H+](CCCc1ccsc1)[C@@H]1CCC[NH2+]CC1 ZINC000420305196 393457154 /nfs/dbraw/zinc/45/71/54/393457154.db2.gz GEVQUAKSTQEPLB-OAHLLOKOSA-N 2 1 266.454 3.145 20 0 CGADMP CC[N@@H+](Cc1ccccc1SC)[C@@H]1CCC[NH2+]CC1 ZINC000420304607 393457988 /nfs/dbraw/zinc/45/79/88/393457988.db2.gz FDMBKDCUNXNCDF-OAHLLOKOSA-N 2 1 278.465 3.373 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000420315080 393461020 /nfs/dbraw/zinc/46/10/20/393461020.db2.gz ZOFJTNTUTWCVAO-KEYYUXOJSA-N 2 1 276.399 3.208 20 0 CGADMP Clc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420315926 393461710 /nfs/dbraw/zinc/46/17/10/393461710.db2.gz LYEQSWQDKJEHNV-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420317735 393464074 /nfs/dbraw/zinc/46/40/74/393464074.db2.gz NVJLMYJVHVLGDK-UONOGXRCSA-N 2 1 272.392 3.425 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000420321134 393465857 /nfs/dbraw/zinc/46/58/57/393465857.db2.gz QUFRIKLBPFZIBS-OIISXLGYSA-N 2 1 290.451 3.248 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325574 393467208 /nfs/dbraw/zinc/46/72/08/393467208.db2.gz IVQSFYLECSOTET-HUUCEWRRSA-N 2 1 290.476 3.230 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326053 393467553 /nfs/dbraw/zinc/46/75/53/393467553.db2.gz JBPLPAPXHKTVOD-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c2ccccc2n1 ZINC000420356318 393473098 /nfs/dbraw/zinc/47/30/98/393473098.db2.gz GDIGKAYVUCEHEW-INIZCTEOSA-N 2 1 271.408 3.006 20 0 CGADMP CCC(C)(C)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420363199 393474461 /nfs/dbraw/zinc/47/44/61/393474461.db2.gz BJBGTLOUURXNQD-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000420407568 393485089 /nfs/dbraw/zinc/48/50/89/393485089.db2.gz OLKCOCDPGMNUMD-QWRGUYRKSA-N 2 1 270.779 3.129 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2C[C@H]2C)CC1)CC1CC1 ZINC000488332613 393489882 /nfs/dbraw/zinc/48/98/82/393489882.db2.gz LYEQUJKHWZWFBZ-QAPCUYQASA-N 2 1 278.484 3.476 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCOC[C@H](C3CCC3)C2)cn1 ZINC000430148973 393529999 /nfs/dbraw/zinc/52/99/99/393529999.db2.gz UVENGNOLCUWKQW-GOSISDBHSA-N 2 1 288.435 3.071 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663144 393532332 /nfs/dbraw/zinc/53/23/32/393532332.db2.gz ZEMVDFAKXPMUBO-ROUUACIJSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663144 393532337 /nfs/dbraw/zinc/53/23/37/393532337.db2.gz ZEMVDFAKXPMUBO-ROUUACIJSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663144 393532340 /nfs/dbraw/zinc/53/23/40/393532340.db2.gz ZEMVDFAKXPMUBO-ROUUACIJSA-N 2 1 290.426 3.273 20 0 CGADMP CCCC[N@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420905529 393539535 /nfs/dbraw/zinc/53/95/35/393539535.db2.gz RDMWNIPAEFADOM-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CCCC[N@@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420905529 393539542 /nfs/dbraw/zinc/53/95/42/393539542.db2.gz RDMWNIPAEFADOM-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000657313841 542795208 /nfs/dbraw/zinc/79/52/08/542795208.db2.gz VQCXAGIJUKSUMD-ROUUACIJSA-N 2 1 288.435 3.110 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000657313841 542795210 /nfs/dbraw/zinc/79/52/10/542795210.db2.gz VQCXAGIJUKSUMD-ROUUACIJSA-N 2 1 288.435 3.110 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430543396 393573422 /nfs/dbraw/zinc/57/34/22/393573422.db2.gz RHYVCPRIOWFELP-LZWOXQAQSA-N 2 1 299.418 3.462 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430543396 393573426 /nfs/dbraw/zinc/57/34/26/393573426.db2.gz RHYVCPRIOWFELP-LZWOXQAQSA-N 2 1 299.418 3.462 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCOc1cccc2ccccc21 ZINC000430562419 393577213 /nfs/dbraw/zinc/57/72/13/393577213.db2.gz DLVBTNMACLYTLI-INIZCTEOSA-N 2 1 284.403 3.032 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCOc1cccc2ccccc21 ZINC000430562419 393577217 /nfs/dbraw/zinc/57/72/17/393577217.db2.gz DLVBTNMACLYTLI-INIZCTEOSA-N 2 1 284.403 3.032 20 0 CGADMP COc1cccc2c(NC[C@@H](C)C[NH+](C)C)c(C)c[nH+]c12 ZINC000489010180 393570364 /nfs/dbraw/zinc/57/03/64/393570364.db2.gz KKVJBTISKIZKKP-GFCCVEGCSA-N 2 1 287.407 3.161 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430581942 393578797 /nfs/dbraw/zinc/57/87/97/393578797.db2.gz VKVJDDPNSCIMFK-AWEZNQCLSA-N 2 1 270.367 3.333 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430581942 393578799 /nfs/dbraw/zinc/57/87/99/393578799.db2.gz VKVJDDPNSCIMFK-AWEZNQCLSA-N 2 1 270.367 3.333 20 0 CGADMP C[N@@H+](CCSc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000430628920 393582631 /nfs/dbraw/zinc/58/26/31/393582631.db2.gz PFEWYIHLSMRLHO-UHFFFAOYSA-N 2 1 284.856 3.116 20 0 CGADMP CC(C)(C)c1cccc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000430657433 393584107 /nfs/dbraw/zinc/58/41/07/393584107.db2.gz VYDYENKCWUBAHK-OAHLLOKOSA-N 2 1 290.451 3.034 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccs1 ZINC000432420822 393612882 /nfs/dbraw/zinc/61/28/82/393612882.db2.gz DEAJYNPMUQCLAT-LSDHHAIUSA-N 2 1 296.480 3.290 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccs1 ZINC000432420822 393612883 /nfs/dbraw/zinc/61/28/83/393612883.db2.gz DEAJYNPMUQCLAT-LSDHHAIUSA-N 2 1 296.480 3.290 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCC1CCCC1)CC[NH2+]CC2 ZINC000424302386 393680735 /nfs/dbraw/zinc/68/07/35/393680735.db2.gz ZJIFEXFXCCWVQF-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424350969 393682322 /nfs/dbraw/zinc/68/23/22/393682322.db2.gz MZQXJEZQZHNUCN-FTWQHDNSSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424350969 393682325 /nfs/dbraw/zinc/68/23/25/393682325.db2.gz MZQXJEZQZHNUCN-FTWQHDNSSA-N 2 1 284.447 3.285 20 0 CGADMP CC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000432777437 393638603 /nfs/dbraw/zinc/63/86/03/393638603.db2.gz CPUHDCFLGSHJFP-ZBFHGGJFSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000432777437 393638604 /nfs/dbraw/zinc/63/86/04/393638604.db2.gz CPUHDCFLGSHJFP-ZBFHGGJFSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000432777437 393638610 /nfs/dbraw/zinc/63/86/10/393638610.db2.gz CPUHDCFLGSHJFP-ZBFHGGJFSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000432777437 393638614 /nfs/dbraw/zinc/63/86/14/393638614.db2.gz CPUHDCFLGSHJFP-ZBFHGGJFSA-N 2 1 262.441 3.125 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1(C)C ZINC000423048844 393648640 /nfs/dbraw/zinc/64/86/40/393648640.db2.gz JGMDLUVAEICQFG-LUKYLMHMSA-N 2 1 288.435 3.313 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2sccc21 ZINC000423258775 393656349 /nfs/dbraw/zinc/65/63/49/393656349.db2.gz CIUAPSOMYXJDSX-WCQYABFASA-N 2 1 252.427 3.089 20 0 CGADMP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)oc2c1 ZINC000423397209 393665265 /nfs/dbraw/zinc/66/52/65/393665265.db2.gz OGHPBWQEMLGLKA-KCQAQPDRSA-N 2 1 272.392 3.390 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423454503 393667464 /nfs/dbraw/zinc/66/74/64/393667464.db2.gz ZGIXTWGGVOELHS-BHDSKKPTSA-N 2 1 252.789 3.043 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065532 393741379 /nfs/dbraw/zinc/74/13/79/393741379.db2.gz CDOGSUIZOZVDOL-CHWSQXEVSA-N 2 1 279.428 3.094 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CC(C)(C)C ZINC000443204837 393749071 /nfs/dbraw/zinc/74/90/71/393749071.db2.gz QVNDSXCJNZYOJZ-ILXRZTDVSA-N 2 1 254.462 3.379 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CCC[C@H]4C[N@H+](C)C[C@H]43)c2c1 ZINC000425287439 393691423 /nfs/dbraw/zinc/69/14/23/393691423.db2.gz RONMAKRNROTLJJ-KBXCAEBGSA-N 2 1 281.403 3.074 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000425333408 393692487 /nfs/dbraw/zinc/69/24/87/393692487.db2.gz CBBJMFRIUVXZSQ-QLFBSQMISA-N 2 1 270.486 3.125 20 0 CGADMP Cc1ccc(CCC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000499928988 393812256 /nfs/dbraw/zinc/81/22/56/393812256.db2.gz OAPZHKFWQSTYQD-UHFFFAOYSA-N 2 1 274.452 3.345 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445765397 393821981 /nfs/dbraw/zinc/82/19/81/393821981.db2.gz FHTULFKZQZPSAI-QGZVFWFLSA-N 2 1 284.407 3.108 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000445986701 393839228 /nfs/dbraw/zinc/83/92/28/393839228.db2.gz XBYWZHSMHLOIAJ-KZNAEPCWSA-N 2 1 272.436 3.397 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000502707865 393882663 /nfs/dbraw/zinc/88/26/63/393882663.db2.gz NBGRTQWOWOKRCD-JQHSSLGASA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccccc1[C@]1(F)CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000502919175 393887442 /nfs/dbraw/zinc/88/74/42/393887442.db2.gz LSWBEKSDWURMFP-WMZOPIPTSA-N 2 1 290.426 3.350 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@@H](C)C2 ZINC000449560459 393904145 /nfs/dbraw/zinc/90/41/45/393904145.db2.gz LLGKWWVZCIFVSV-AQUVMHGZSA-N 2 1 284.447 3.443 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCOCC(C)C)CC1 ZINC000501089172 393846392 /nfs/dbraw/zinc/84/63/92/393846392.db2.gz MNXWHOCPJGVXQF-UHFFFAOYSA-N 2 1 284.488 3.103 20 0 CGADMP CCC[N@@H+](CCCc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000503916714 393908704 /nfs/dbraw/zinc/90/87/04/393908704.db2.gz NTXZTBFMMLQIER-UHFFFAOYSA-N 2 1 278.415 3.222 20 0 CGADMP CC(C)Cc1ncc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666996741 542833982 /nfs/dbraw/zinc/83/39/82/542833982.db2.gz CWMAZJWCHOZTKB-CYBMUJFWSA-N 2 1 293.480 3.106 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666998142 542835035 /nfs/dbraw/zinc/83/50/35/542835035.db2.gz FASYGNRIDGFIIL-SNVBAGLBSA-N 2 1 270.829 3.166 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497098 394006170 /nfs/dbraw/zinc/00/61/70/394006170.db2.gz CBRRCXODUBGSIM-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497098 394006171 /nfs/dbraw/zinc/00/61/71/394006171.db2.gz CBRRCXODUBGSIM-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497098 394006174 /nfs/dbraw/zinc/00/61/74/394006174.db2.gz CBRRCXODUBGSIM-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC(C)(C)C1 ZINC000452100688 394050344 /nfs/dbraw/zinc/05/03/44/394050344.db2.gz FBWHBSJZYBZCNZ-CQSZACIVSA-N 2 1 252.446 3.370 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000450595633 394027843 /nfs/dbraw/zinc/02/78/43/394027843.db2.gz FHKNWXHGDSWDSZ-SQWLQELKSA-N 2 1 298.421 3.371 20 0 CGADMP FC1(F)CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000450595633 394027846 /nfs/dbraw/zinc/02/78/46/394027846.db2.gz FHKNWXHGDSWDSZ-SQWLQELKSA-N 2 1 298.421 3.371 20 0 CGADMP FC1(F)CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000450595633 394027848 /nfs/dbraw/zinc/02/78/48/394027848.db2.gz FHKNWXHGDSWDSZ-SQWLQELKSA-N 2 1 298.421 3.371 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000667493946 542875947 /nfs/dbraw/zinc/87/59/47/542875947.db2.gz IKGNKHSRURCIKB-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000667493946 542875950 /nfs/dbraw/zinc/87/59/50/542875950.db2.gz IKGNKHSRURCIKB-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](C2CC2)C2CCC2)C[C@H](C)O1 ZINC000453072788 394161159 /nfs/dbraw/zinc/16/11/59/394161159.db2.gz AUUCYNWMGBMTOA-DAYGRLMNSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cccc(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453602581 394255773 /nfs/dbraw/zinc/25/57/73/394255773.db2.gz XAYZGQKGZFJKHI-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000453247723 394219148 /nfs/dbraw/zinc/21/91/48/394219148.db2.gz FAGQALSEVWWNHF-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453395284 394230822 /nfs/dbraw/zinc/23/08/22/394230822.db2.gz HOGBISMSKZDZSD-LLVKDONJSA-N 2 1 281.469 3.285 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000453417813 394241232 /nfs/dbraw/zinc/24/12/32/394241232.db2.gz YBTDGFWVXVNHHY-GOSISDBHSA-N 2 1 288.435 3.234 20 0 CGADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453596972 394253137 /nfs/dbraw/zinc/25/31/37/394253137.db2.gz MQOWEAJRCPZFDV-GDBMZVCRSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453599499 394254602 /nfs/dbraw/zinc/25/46/02/394254602.db2.gz RMIOEWHXTRAFFT-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453602708 394255272 /nfs/dbraw/zinc/25/52/72/394255272.db2.gz ABRRXFQLKABSSN-UKRRQHHQSA-N 2 1 281.469 3.119 20 0 CGADMP Cc1ncc(CN2CCS[C@H](c3ccccc3)C2)n1C ZINC000667642652 542902518 /nfs/dbraw/zinc/90/25/18/542902518.db2.gz GDPJWJPEOUGEGN-INIZCTEOSA-N 2 1 287.432 3.019 20 0 CGADMP Cc1ccc2cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000667705524 542919959 /nfs/dbraw/zinc/91/99/59/542919959.db2.gz FUYQUSKACWIHSJ-APWZRJJASA-N 2 1 297.446 3.392 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336844997 292054616 /nfs/dbraw/zinc/05/46/16/292054616.db2.gz LLQWOAKHNVUYAV-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336844997 292054618 /nfs/dbraw/zinc/05/46/18/292054618.db2.gz LLQWOAKHNVUYAV-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336844997 292054619 /nfs/dbraw/zinc/05/46/19/292054619.db2.gz LLQWOAKHNVUYAV-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000670262770 543145972 /nfs/dbraw/zinc/14/59/72/543145972.db2.gz JODPMDMXKSPDFQ-AWEZNQCLSA-N 2 1 254.462 3.475 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)[C@@H]2CCC[C@@H]21 ZINC000671753569 543185963 /nfs/dbraw/zinc/18/59/63/543185963.db2.gz XQDQFSYZZMHIIO-QAETUUGQSA-N 2 1 294.483 3.044 20 0 CGADMP Clc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916190 397609646 /nfs/dbraw/zinc/60/96/46/397609646.db2.gz LQUFJMNVVKQTOY-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916190 397609649 /nfs/dbraw/zinc/60/96/49/397609649.db2.gz LQUFJMNVVKQTOY-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ncccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062052020 397637647 /nfs/dbraw/zinc/63/76/47/397637647.db2.gz KDGVNMXUHJYCBC-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062078775 397638189 /nfs/dbraw/zinc/63/81/89/397638189.db2.gz XJSXPMDSBDOPCA-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCC1 ZINC000429432348 292125685 /nfs/dbraw/zinc/12/56/85/292125685.db2.gz UQMYXADJBPWGFB-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP c1cc2c(c(C[NH+]3CCC([NH2+]CC4CC4)CC3)c1)CCC2 ZINC000650703415 397897557 /nfs/dbraw/zinc/89/75/57/397897557.db2.gz ZSUZWKAMFREPKU-UHFFFAOYSA-N 2 1 284.447 3.139 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c1)CCC2 ZINC000650704317 397897562 /nfs/dbraw/zinc/89/75/62/397897562.db2.gz SZMJEWAKVITMEX-APWZRJJASA-N 2 1 284.447 3.139 20 0 CGADMP c1c2c(oc1-c1ccccc1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000650709489 397898242 /nfs/dbraw/zinc/89/82/42/397898242.db2.gz BDFOFTLKXWFGMN-OAHLLOKOSA-N 2 1 296.414 3.304 20 0 CGADMP c1c2c(oc1-c1ccccc1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000650709489 397898244 /nfs/dbraw/zinc/89/82/44/397898244.db2.gz BDFOFTLKXWFGMN-OAHLLOKOSA-N 2 1 296.414 3.304 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(F)cccc1Cl ZINC000650718812 397901390 /nfs/dbraw/zinc/90/13/90/397901390.db2.gz WSYOFWKUKKOFDM-UHFFFAOYSA-N 2 1 292.785 3.488 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724152 397902700 /nfs/dbraw/zinc/90/27/00/397902700.db2.gz ZDIIKQGOSVTTCH-SFFUCWETSA-N 2 1 294.483 3.174 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000375887239 286048979 /nfs/dbraw/zinc/04/89/79/286048979.db2.gz IMRLHMZTZDYPHN-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000678895086 543569919 /nfs/dbraw/zinc/56/99/19/543569919.db2.gz LMUXVHFXFGUQSK-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554048912 289253103 /nfs/dbraw/zinc/25/31/03/289253103.db2.gz DYWAZFWSXYFKLF-IRXDYDNUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000556202482 289376978 /nfs/dbraw/zinc/37/69/78/289376978.db2.gz RSZZUXGECRSPFB-OXGONZEZSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccnc1 ZINC000245604858 287022467 /nfs/dbraw/zinc/02/24/67/287022467.db2.gz LYCCBXFHIPHDIQ-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP COCc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000088552588 165194393 /nfs/dbraw/zinc/19/43/93/165194393.db2.gz HWMBBKGRLHPHPW-MRXNPFEDSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]cc1Cl ZINC000094266937 165345819 /nfs/dbraw/zinc/34/58/19/165345819.db2.gz RBGUHARVUDJWDJ-LBPRGKRZSA-N 2 1 267.804 3.411 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]cc1Cl ZINC000094266937 165345823 /nfs/dbraw/zinc/34/58/23/165345823.db2.gz RBGUHARVUDJWDJ-LBPRGKRZSA-N 2 1 267.804 3.411 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[NH+]1CCCC1 ZINC000094422856 165349308 /nfs/dbraw/zinc/34/93/08/165349308.db2.gz MBGINQKWESJCIW-HUUCEWRRSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1C(C)C ZINC000094342256 165350049 /nfs/dbraw/zinc/35/00/49/165350049.db2.gz SNCJOVHGQHCWBJ-QAPCUYQASA-N 2 1 290.451 3.166 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccoc1 ZINC000094867686 287123025 /nfs/dbraw/zinc/12/30/25/287123025.db2.gz OEQOWXUEWXZQIJ-AWEZNQCLSA-N 2 1 250.386 3.052 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000122809107 287212690 /nfs/dbraw/zinc/21/26/90/287212690.db2.gz JIVZEIFWKFGYKE-SFHVURJKSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000122809107 287212691 /nfs/dbraw/zinc/21/26/91/287212691.db2.gz JIVZEIFWKFGYKE-SFHVURJKSA-N 2 1 272.436 3.213 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000124214996 287230582 /nfs/dbraw/zinc/23/05/82/287230582.db2.gz CSDKREKHMHOGCP-SJLPKXTDSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000124214996 287230585 /nfs/dbraw/zinc/23/05/85/287230585.db2.gz CSDKREKHMHOGCP-SJLPKXTDSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000124214996 287230587 /nfs/dbraw/zinc/23/05/87/287230587.db2.gz CSDKREKHMHOGCP-SJLPKXTDSA-N 2 1 290.426 3.174 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125600029 287247183 /nfs/dbraw/zinc/24/71/83/287247183.db2.gz UXAFATJBYVKXPS-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125600029 287247186 /nfs/dbraw/zinc/24/71/86/287247186.db2.gz UXAFATJBYVKXPS-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000020121873 171000953 /nfs/dbraw/zinc/00/09/53/171000953.db2.gz GCYXHLZQNOZYNM-LLVKDONJSA-N 2 1 252.789 3.085 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000020129089 171016149 /nfs/dbraw/zinc/01/61/49/171016149.db2.gz RSWYUSVJPJHUOP-OAHLLOKOSA-N 2 1 276.424 3.222 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020593546 171262912 /nfs/dbraw/zinc/26/29/12/171262912.db2.gz CTDNGPFNSQJRGQ-DLBZAZTESA-N 2 1 258.409 3.356 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502269370 287268026 /nfs/dbraw/zinc/26/80/26/287268026.db2.gz OAQRSLKBGPXSCC-YYIAUSFCSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337990862 287268675 /nfs/dbraw/zinc/26/86/75/287268675.db2.gz FGNYQPLRIUCYJY-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2[nH]1 ZINC000285677712 196363693 /nfs/dbraw/zinc/36/36/93/196363693.db2.gz NKWJGXMOXQQRMR-IAGOWNOFSA-N 2 1 283.419 3.193 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000037248697 173060822 /nfs/dbraw/zinc/06/08/22/173060822.db2.gz WJRYPQABUBRSMP-UHFFFAOYSA-N 2 1 254.377 3.024 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267094 173077024 /nfs/dbraw/zinc/07/70/24/173077024.db2.gz VYSRTBPXOOUHKG-CQSZACIVSA-N 2 1 276.424 3.219 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccco1)C[NH+]1CCCCC1 ZINC000038041781 174043741 /nfs/dbraw/zinc/04/37/41/174043741.db2.gz LIRXHUIHAYIRMG-ZIAGYGMSSA-N 2 1 250.386 3.052 20 0 CGADMP c1ccc(C2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000043325730 175007558 /nfs/dbraw/zinc/00/75/58/175007558.db2.gz UEYWDMSGSQPTCN-JCYILVPMSA-N 2 1 258.409 3.054 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043391269 175034291 /nfs/dbraw/zinc/03/42/91/175034291.db2.gz UOXXYEXTWHZGIT-FUNVUKJBSA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043391269 175034292 /nfs/dbraw/zinc/03/42/92/175034292.db2.gz UOXXYEXTWHZGIT-FUNVUKJBSA-N 2 1 282.790 3.194 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252107711 287317097 /nfs/dbraw/zinc/31/70/97/287317097.db2.gz HHBLBTSXKQOFHM-MOTUXRJWSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252107711 287317099 /nfs/dbraw/zinc/31/70/99/287317099.db2.gz HHBLBTSXKQOFHM-MOTUXRJWSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1c2ccsc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000050953831 416478163 /nfs/dbraw/zinc/47/81/63/416478163.db2.gz VVUDXEGYAHMBKJ-ZDUSSCGKSA-N 2 1 278.465 3.447 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1F ZINC000050953042 416479662 /nfs/dbraw/zinc/47/96/62/416479662.db2.gz PAPWLNUMNIHDKT-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000226436077 416522234 /nfs/dbraw/zinc/52/22/34/416522234.db2.gz ORFOYPHTKYEDQT-AWEZNQCLSA-N 2 1 264.388 3.036 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000226436077 416522237 /nfs/dbraw/zinc/52/22/37/416522237.db2.gz ORFOYPHTKYEDQT-AWEZNQCLSA-N 2 1 264.388 3.036 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)CC[C@H]1[NH3+] ZINC000317263213 416539958 /nfs/dbraw/zinc/53/99/58/416539958.db2.gz QQCXQIHNKDDHPA-RHSMWYFYSA-N 2 1 299.418 3.209 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)CC[C@H]1[NH3+] ZINC000317263213 416539964 /nfs/dbraw/zinc/53/99/64/416539964.db2.gz QQCXQIHNKDDHPA-RHSMWYFYSA-N 2 1 299.418 3.209 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1Cl ZINC000404494525 416554539 /nfs/dbraw/zinc/55/45/39/416554539.db2.gz DZZBJSNYLRBOMS-SWLSCSKDSA-N 2 1 296.842 3.298 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1Cl ZINC000404494525 416554544 /nfs/dbraw/zinc/55/45/44/416554544.db2.gz DZZBJSNYLRBOMS-SWLSCSKDSA-N 2 1 296.842 3.298 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000404452696 416555498 /nfs/dbraw/zinc/55/54/98/416555498.db2.gz ZORZNHMVFFPARH-BXUZGUMPSA-N 2 1 252.427 3.006 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC000404753510 416556651 /nfs/dbraw/zinc/55/66/51/416556651.db2.gz YQCDMTDYCALBIF-OAGGEKHMSA-N 2 1 272.436 3.036 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000134096550 416516895 /nfs/dbraw/zinc/51/68/95/416516895.db2.gz SDGLHKBUJIHJHU-RDJZCZTQSA-N 2 1 260.425 3.369 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cccc(F)c2)[C@H](C)C1 ZINC000182880632 260080787 /nfs/dbraw/zinc/08/07/87/260080787.db2.gz WUTFMXDWROVYSW-CRAIPNDOSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679438952 543636831 /nfs/dbraw/zinc/63/68/31/543636831.db2.gz OFYSUPCTMDSBLY-AWEZNQCLSA-N 2 1 285.366 3.104 20 0 CGADMP Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721124 543657694 /nfs/dbraw/zinc/65/76/94/543657694.db2.gz IJLHIENGNNFPBT-RDJZCZTQSA-N 2 1 287.451 3.133 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000680333055 543699233 /nfs/dbraw/zinc/69/92/33/543699233.db2.gz UIYQVDZNCLIYDZ-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)CC[N@@H+]1C ZINC000682070650 543819166 /nfs/dbraw/zinc/81/91/66/543819166.db2.gz DWUFLMVHXNYTIL-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)CC[N@H+]1C ZINC000682070650 543819169 /nfs/dbraw/zinc/81/91/69/543819169.db2.gz DWUFLMVHXNYTIL-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)CC[NH+]1C ZINC000682070650 543819171 /nfs/dbraw/zinc/81/91/71/543819171.db2.gz DWUFLMVHXNYTIL-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)CC[NH+]1C ZINC000682070650 543819175 /nfs/dbraw/zinc/81/91/75/543819175.db2.gz DWUFLMVHXNYTIL-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP COc1cc(C)c([C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000682069728 543820106 /nfs/dbraw/zinc/82/01/06/543820106.db2.gz HYZWYCXFRAMFHF-JKSUJKDBSA-N 2 1 290.451 3.257 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682075606 543821659 /nfs/dbraw/zinc/82/16/59/543821659.db2.gz SACCEQJLXGSLBM-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682075606 543821661 /nfs/dbraw/zinc/82/16/61/543821661.db2.gz SACCEQJLXGSLBM-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC(C)(C[NH2+]Cc1nccc2ccccc21)C[NH+]1CCCC1 ZINC000682953506 543881874 /nfs/dbraw/zinc/88/18/74/543881874.db2.gz IJCHNXWZLHSSFT-UHFFFAOYSA-N 2 1 297.446 3.446 20 0 CGADMP C[N@H+](Cc1ccc2cnccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000683826798 543945300 /nfs/dbraw/zinc/94/53/00/543945300.db2.gz QVPOROJKHPSVHG-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccc2cnccc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000683826798 543945303 /nfs/dbraw/zinc/94/53/03/543945303.db2.gz QVPOROJKHPSVHG-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccc2cnccc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000683826798 543945305 /nfs/dbraw/zinc/94/53/05/543945305.db2.gz QVPOROJKHPSVHG-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685471202 544078517 /nfs/dbraw/zinc/07/85/17/544078517.db2.gz XAXRCKSJVZUJDD-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000685634131 544091152 /nfs/dbraw/zinc/09/11/52/544091152.db2.gz LUSPCQSRAUOHMS-HOTGVXAUSA-N 2 1 290.451 3.263 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000685634131 544091155 /nfs/dbraw/zinc/09/11/55/544091155.db2.gz LUSPCQSRAUOHMS-HOTGVXAUSA-N 2 1 290.451 3.263 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000652221957 418937132 /nfs/dbraw/zinc/93/71/32/418937132.db2.gz AUBYDZFVBGXHFR-KRWDZBQOSA-N 2 1 290.451 3.337 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000652221957 418937134 /nfs/dbraw/zinc/93/71/34/418937134.db2.gz AUBYDZFVBGXHFR-KRWDZBQOSA-N 2 1 290.451 3.337 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652221025 418937384 /nfs/dbraw/zinc/93/73/84/418937384.db2.gz ORCKIUDNFFMJMS-HNNXBMFYSA-N 2 1 278.440 3.324 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221025 418937388 /nfs/dbraw/zinc/93/73/88/418937388.db2.gz ORCKIUDNFFMJMS-HNNXBMFYSA-N 2 1 278.440 3.324 20 0 CGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000658331664 418939706 /nfs/dbraw/zinc/93/97/06/418939706.db2.gz LZXJTVPBNSJTHQ-JLZZUVOBSA-N 2 1 285.391 3.009 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349577 418957191 /nfs/dbraw/zinc/95/71/91/418957191.db2.gz SZFYMODUOIJMQU-JYJNAYRXSA-N 2 1 282.472 3.031 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000653279889 419022742 /nfs/dbraw/zinc/02/27/42/419022742.db2.gz HSRGILVPJCYHNH-SMDDNHRTSA-N 2 1 286.341 3.325 20 0 CGADMP CO[C@@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C1CCCC1 ZINC000659876686 419025915 /nfs/dbraw/zinc/02/59/15/419025915.db2.gz LIBYWOJSCUBERK-SFHVURJKSA-N 2 1 296.499 3.244 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000659929477 419036231 /nfs/dbraw/zinc/03/62/31/419036231.db2.gz ZLQYDAXXDMUHTO-LSDHHAIUSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCC(C)(C)C2CC2)CC[N@@H+]1C ZINC000653564871 419050369 /nfs/dbraw/zinc/05/03/69/419050369.db2.gz PUYDGBXXVFROHF-DZGCQCFKSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCC(C)(C)C2CC2)CC[N@H+]1C ZINC000653564871 419050372 /nfs/dbraw/zinc/05/03/72/419050372.db2.gz PUYDGBXXVFROHF-DZGCQCFKSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCC(C)(C)C2CC2)CC[NH+]1C ZINC000653564871 419050374 /nfs/dbraw/zinc/05/03/74/419050374.db2.gz PUYDGBXXVFROHF-DZGCQCFKSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(C)(C)C2CC2)CC[NH+]1C ZINC000653564871 419050376 /nfs/dbraw/zinc/05/03/76/419050376.db2.gz PUYDGBXXVFROHF-DZGCQCFKSA-N 2 1 252.446 3.227 20 0 CGADMP CCCCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523003 419043069 /nfs/dbraw/zinc/04/30/69/419043069.db2.gz YYOREAQNVMHYOO-HOTGVXAUSA-N 2 1 296.455 3.064 20 0 CGADMP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCCCC1 ZINC000655738954 419083697 /nfs/dbraw/zinc/08/36/97/419083697.db2.gz RNHKROBFPBTIBW-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237592 419088425 /nfs/dbraw/zinc/08/84/25/419088425.db2.gz FGDUAZMTIUQHFA-GJZGRUSLSA-N 2 1 258.365 3.182 20 0 CGADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000665241729 419088943 /nfs/dbraw/zinc/08/89/43/419088943.db2.gz XCILDWJHTWZAMH-CKQIIDDLSA-N 2 1 276.399 3.395 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCC1)CCS2 ZINC000665247580 419091194 /nfs/dbraw/zinc/09/11/94/419091194.db2.gz FOZHQRFSZIQHBT-AWEZNQCLSA-N 2 1 292.448 3.093 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)ccc1SC ZINC000665249081 419091834 /nfs/dbraw/zinc/09/18/34/419091834.db2.gz JGFJYNCNAJNSLJ-GFCCVEGCSA-N 2 1 294.464 3.339 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CCCC1 ZINC000665248570 419091942 /nfs/dbraw/zinc/09/19/42/419091942.db2.gz ZILKUJUWJLOSDL-AWEZNQCLSA-N 2 1 264.800 3.188 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1OC(F)F ZINC000665248815 419092590 /nfs/dbraw/zinc/09/25/90/419092590.db2.gz CXNDUZWOWJQWNT-NSHDSACASA-N 2 1 284.350 3.210 20 0 CGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCCC2)cc1 ZINC000665254368 419093552 /nfs/dbraw/zinc/09/35/52/419093552.db2.gz OSJZQOOBXCYLGB-ROUUACIJSA-N 2 1 288.435 3.063 20 0 CGADMP CCC1(CC)CCC([NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000655787997 419097747 /nfs/dbraw/zinc/09/77/47/419097747.db2.gz BRXAWQBRURPIIO-UHFFFAOYSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CCC(F)(F)CC1 ZINC000653872543 419100457 /nfs/dbraw/zinc/10/04/57/419100457.db2.gz ABXOXKSONXCDSM-GFCCVEGCSA-N 2 1 285.382 3.156 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCC(F)(F)CC1 ZINC000653872087 419100626 /nfs/dbraw/zinc/10/06/26/419100626.db2.gz OPHPXUNNXUFQBP-GXTWGEPZSA-N 2 1 274.399 3.274 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000665295218 419109398 /nfs/dbraw/zinc/10/93/98/419109398.db2.gz AJCHOIVOEQBGAM-HZPDHXFCSA-N 2 1 282.431 3.405 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000665297397 419111447 /nfs/dbraw/zinc/11/14/47/419111447.db2.gz FJSMAZYXYRPHST-NJZAAPMLSA-N 2 1 266.816 3.174 20 0 CGADMP CSc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000660002908 419060849 /nfs/dbraw/zinc/06/08/49/419060849.db2.gz BWWMGIBQXJUYJB-UHFFFAOYSA-N 2 1 299.443 3.126 20 0 CGADMP CSc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000660011452 419062692 /nfs/dbraw/zinc/06/26/92/419062692.db2.gz ODOMOOCRBFTSGU-WBVHZDCISA-N 2 1 290.476 3.325 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000660011452 419062693 /nfs/dbraw/zinc/06/26/93/419062693.db2.gz ODOMOOCRBFTSGU-WBVHZDCISA-N 2 1 290.476 3.325 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000660011452 419062696 /nfs/dbraw/zinc/06/26/96/419062696.db2.gz ODOMOOCRBFTSGU-WBVHZDCISA-N 2 1 290.476 3.325 20 0 CGADMP COc1ccc(C(C)C)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000655941392 419129037 /nfs/dbraw/zinc/12/90/37/419129037.db2.gz SDTMGMIGYLLZCL-KRWDZBQOSA-N 2 1 290.451 3.296 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660540915 419159995 /nfs/dbraw/zinc/15/99/95/419159995.db2.gz GNHUIEVWVDQRFU-ICIURTGMSA-N 2 1 274.399 3.225 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660540915 419159996 /nfs/dbraw/zinc/15/99/96/419159996.db2.gz GNHUIEVWVDQRFU-ICIURTGMSA-N 2 1 274.399 3.225 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655543 419177930 /nfs/dbraw/zinc/17/79/30/419177930.db2.gz NATPAMWHOKAJDF-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655543 419177934 /nfs/dbraw/zinc/17/79/34/419177934.db2.gz NATPAMWHOKAJDF-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655543 419177937 /nfs/dbraw/zinc/17/79/37/419177937.db2.gz NATPAMWHOKAJDF-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655543 419177941 /nfs/dbraw/zinc/17/79/41/419177941.db2.gz NATPAMWHOKAJDF-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660662356 419178968 /nfs/dbraw/zinc/17/89/68/419178968.db2.gz IWGQHBJJRQFGGY-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660662356 419178971 /nfs/dbraw/zinc/17/89/71/419178971.db2.gz IWGQHBJJRQFGGY-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660662356 419178974 /nfs/dbraw/zinc/17/89/74/419178974.db2.gz IWGQHBJJRQFGGY-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)[C@H]1CC1(C)C ZINC000666086367 419188861 /nfs/dbraw/zinc/18/88/61/419188861.db2.gz FIWMARKGQFBRKP-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000657295350 419244979 /nfs/dbraw/zinc/24/49/79/419244979.db2.gz NVQZLDMRSNDNES-UHFFFAOYSA-N 2 1 288.435 3.110 20 0 CGADMP c1[nH+]c2n(c1CNc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000657320864 419250076 /nfs/dbraw/zinc/25/00/76/419250076.db2.gz IMTKFEJIRBTIDD-UHFFFAOYSA-N 2 1 296.418 3.037 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(cccc3C)[nH]2)C1 ZINC000657325986 419250591 /nfs/dbraw/zinc/25/05/91/419250591.db2.gz QOLXYXMSIKRUGI-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000656787921 419219918 /nfs/dbraw/zinc/21/99/18/419219918.db2.gz ZFPCGDNVBSSMIB-HNNXBMFYSA-N 2 1 272.436 3.168 20 0 CGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H](C)CC)cc1 ZINC000656790489 419221305 /nfs/dbraw/zinc/22/13/05/419221305.db2.gz VIXJASOQIWGPCU-WBAXXEDZSA-N 2 1 290.451 3.167 20 0 CGADMP COc1ccccc1/C=C/CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525521 419297751 /nfs/dbraw/zinc/29/77/51/419297751.db2.gz RUXWFUIOSJBJME-MNDMWVCDSA-N 2 1 288.435 3.171 20 0 CGADMP COc1ccccc1/C=C/CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525521 419297754 /nfs/dbraw/zinc/29/77/54/419297754.db2.gz RUXWFUIOSJBJME-MNDMWVCDSA-N 2 1 288.435 3.171 20 0 CGADMP COc1ccc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000657523615 419297787 /nfs/dbraw/zinc/29/77/87/419297787.db2.gz HIWXDGCNWCAGPQ-CYBMUJFWSA-N 2 1 296.842 3.311 20 0 CGADMP COc1ccc(CNC[C@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000657523615 419297789 /nfs/dbraw/zinc/29/77/89/419297789.db2.gz HIWXDGCNWCAGPQ-CYBMUJFWSA-N 2 1 296.842 3.311 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1ccccc1OC(F)F ZINC000657523839 419297910 /nfs/dbraw/zinc/29/79/10/419297910.db2.gz LEWUEOBCDWHBBB-CYBMUJFWSA-N 2 1 298.377 3.250 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNCc1ccccc1OC(F)F ZINC000657523839 419297912 /nfs/dbraw/zinc/29/79/12/419297912.db2.gz LEWUEOBCDWHBBB-CYBMUJFWSA-N 2 1 298.377 3.250 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838501 419303291 /nfs/dbraw/zinc/30/32/91/419303291.db2.gz GFLFXOIAXVRIJQ-PMPSAXMXSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657559694 419303464 /nfs/dbraw/zinc/30/34/64/419303464.db2.gz PYGPEVPQKNIDAM-JCGIZDLHSA-N 2 1 290.426 3.282 20 0 CGADMP C1C[N@@H+](C2CCCCC2)C[C@@H]1[NH2+]C1CCCCC1 ZINC000657675803 419326992 /nfs/dbraw/zinc/32/69/92/419326992.db2.gz ZZNNWFNSANANPI-OAHLLOKOSA-N 2 1 250.430 3.316 20 0 CGADMP C1C[N@H+](C2CCCCC2)C[C@@H]1[NH2+]C1CCCCC1 ZINC000657675803 419326994 /nfs/dbraw/zinc/32/69/94/419326994.db2.gz ZZNNWFNSANANPI-OAHLLOKOSA-N 2 1 250.430 3.316 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCCC1 ZINC000662130885 419340707 /nfs/dbraw/zinc/34/07/07/419340707.db2.gz YLWAIZRBTDMDMB-MQVJKMGUSA-N 2 1 250.430 3.125 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751930 419337049 /nfs/dbraw/zinc/33/70/49/419337049.db2.gz WIPYXCYMBOQBJP-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CC1(C)C[C@@]1(C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657761853 419339287 /nfs/dbraw/zinc/33/92/87/419339287.db2.gz SMBIOYLMYJQHEK-LJQANCHMSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662303737 419388089 /nfs/dbraw/zinc/38/80/89/419388089.db2.gz FDBZABKBYSVGFJ-WRSVWVKZSA-N 2 1 266.388 3.324 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662303737 419388091 /nfs/dbraw/zinc/38/80/91/419388091.db2.gz FDBZABKBYSVGFJ-WRSVWVKZSA-N 2 1 266.388 3.324 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657871657 419397234 /nfs/dbraw/zinc/39/72/34/419397234.db2.gz WDVAEKNAXHMCHB-GHMZBOCLSA-N 2 1 273.371 3.097 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000662248885 419372038 /nfs/dbraw/zinc/37/20/38/419372038.db2.gz DSKTYEPDIVYMKN-DOTOQJQBSA-N 2 1 260.425 3.070 20 0 CGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+](C)CC1 ZINC000657824540 419372435 /nfs/dbraw/zinc/37/24/35/419372435.db2.gz UGABCDOEKYQTNF-OAHLLOKOSA-N 2 1 286.463 3.180 20 0 CGADMP CCC[N@@H+](C[C@H](CC)CC(F)F)C1CC[NH2+]CC1 ZINC000662265865 419376584 /nfs/dbraw/zinc/37/65/84/419376584.db2.gz WILWHJUFEYQTHR-GFCCVEGCSA-N 2 1 262.388 3.132 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662266419 419377147 /nfs/dbraw/zinc/37/71/47/419377147.db2.gz YHLAXCLGRXQWPP-UKRRQHHQSA-N 2 1 260.425 3.153 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662278049 419381989 /nfs/dbraw/zinc/38/19/89/419381989.db2.gz ZYWYGAKHOIFADV-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662275472 419382450 /nfs/dbraw/zinc/38/24/50/419382450.db2.gz CZQWPRVFMYXJSQ-OKZBNKHCSA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000662284893 419384979 /nfs/dbraw/zinc/38/49/79/419384979.db2.gz QHPPBNYKSKZWNO-FUHWJXTLSA-N 2 1 272.436 3.256 20 0 CGADMP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347240 419567611 /nfs/dbraw/zinc/56/76/11/419567611.db2.gz HVCSDMCEZLRSSX-LKJUBWIJSA-N 2 1 284.447 3.411 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC000663315653 419551067 /nfs/dbraw/zinc/55/10/67/419551067.db2.gz ZYHBXRQBVGWTBN-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658089581 419560339 /nfs/dbraw/zinc/56/03/39/419560339.db2.gz ZVYFLEOGGFDHKQ-VBQJREDUSA-N 2 1 278.415 3.137 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658089581 419560345 /nfs/dbraw/zinc/56/03/45/419560345.db2.gz ZVYFLEOGGFDHKQ-VBQJREDUSA-N 2 1 278.415 3.137 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000658034467 419510144 /nfs/dbraw/zinc/51/01/44/419510144.db2.gz GAYUEYUNAKFPAI-WCVJEAGWSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497342 419636624 /nfs/dbraw/zinc/63/66/24/419636624.db2.gz FBCBXZHDTGAZCR-RWWNRMGGSA-N 2 1 299.245 3.266 20 0 CGADMP Cc1nc([C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466521 419619219 /nfs/dbraw/zinc/61/92/19/419619219.db2.gz UYZDFPFYECXCQC-WFASDCNBSA-N 2 1 293.480 3.224 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC[N@@H+]1C ZINC000658252252 419705070 /nfs/dbraw/zinc/70/50/70/419705070.db2.gz IIOLKDSKMOJYIH-LVQVYYBASA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC[N@H+]1C ZINC000658252252 419705081 /nfs/dbraw/zinc/70/50/81/419705081.db2.gz IIOLKDSKMOJYIH-LVQVYYBASA-N 2 1 294.483 3.185 20 0 CGADMP CC1(C)C[C@@]1(C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000658309978 419750689 /nfs/dbraw/zinc/75/06/89/419750689.db2.gz ZZEOWTFOLWQWPZ-GOSISDBHSA-N 2 1 272.436 3.429 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cccc(F)c2)[C@H](C)C1 ZINC000182880632 260080786 /nfs/dbraw/zinc/08/07/86/260080786.db2.gz WUTFMXDWROVYSW-CRAIPNDOSA-N 2 1 292.442 3.420 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C)[C@H](C)C1 ZINC000180194678 260096679 /nfs/dbraw/zinc/09/66/79/260096679.db2.gz CNIZEQDVQGCQMD-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)[NH+]1CCCC1 ZINC000035258579 270027685 /nfs/dbraw/zinc/02/76/85/270027685.db2.gz NKSAVYYYMBKYFB-RTBURBONSA-N 2 1 286.463 3.254 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000108429127 270050912 /nfs/dbraw/zinc/05/09/12/270050912.db2.gz FALWPJPHKHSALZ-HNNXBMFYSA-N 2 1 284.403 3.378 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000108429127 270050914 /nfs/dbraw/zinc/05/09/14/270050914.db2.gz FALWPJPHKHSALZ-HNNXBMFYSA-N 2 1 284.403 3.378 20 0 CGADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@H](c2ccco2)C1 ZINC000519175578 265351358 /nfs/dbraw/zinc/35/13/58/265351358.db2.gz PDPQUGDJGWDKMG-ZBFHGGJFSA-N 2 1 287.407 3.419 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H](c2ccco2)C1 ZINC000519175578 265351362 /nfs/dbraw/zinc/35/13/62/265351362.db2.gz PDPQUGDJGWDKMG-ZBFHGGJFSA-N 2 1 287.407 3.419 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000191529969 270075063 /nfs/dbraw/zinc/07/50/63/270075063.db2.gz UOBHWIFAYXZQJO-NVXWUHKLSA-N 2 1 260.425 3.411 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000191529969 270075064 /nfs/dbraw/zinc/07/50/64/270075064.db2.gz UOBHWIFAYXZQJO-NVXWUHKLSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000223042131 270086203 /nfs/dbraw/zinc/08/62/03/270086203.db2.gz PGNYZLXJGYUJMB-IMJJTQAJSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000223042131 270086204 /nfs/dbraw/zinc/08/62/04/270086204.db2.gz PGNYZLXJGYUJMB-IMJJTQAJSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccc(F)c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000227284325 270087029 /nfs/dbraw/zinc/08/70/29/270087029.db2.gz HSLDUKKXSUZIIR-HNNXBMFYSA-N 2 1 278.415 3.346 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000237432278 270090360 /nfs/dbraw/zinc/09/03/60/270090360.db2.gz XDXNDYVAABMGDB-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527686925 270131679 /nfs/dbraw/zinc/13/16/79/270131679.db2.gz YZVBQKUDJAKGQS-UHFFFAOYSA-N 2 1 290.354 3.118 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527864705 270140706 /nfs/dbraw/zinc/14/07/06/270140706.db2.gz KEDMUHDEDNQRJD-JQHSSLGASA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527864705 270140707 /nfs/dbraw/zinc/14/07/07/270140707.db2.gz KEDMUHDEDNQRJD-JQHSSLGASA-N 2 1 274.452 3.470 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527842481 270138843 /nfs/dbraw/zinc/13/88/43/270138843.db2.gz KHFUDDQLMPAMTI-QAPCUYQASA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@@H]1CC12CC2 ZINC000527848033 270139369 /nfs/dbraw/zinc/13/93/69/270139369.db2.gz DUFZYZJUFZQNDO-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@@H]1CC12CC2 ZINC000527848033 270139370 /nfs/dbraw/zinc/13/93/70/270139370.db2.gz DUFZYZJUFZQNDO-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP COc1ccccc1[C@H](C)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006977 270150903 /nfs/dbraw/zinc/15/09/03/270150903.db2.gz AMRFVWWHFASEKW-GOEBONIOSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000529526896 270182668 /nfs/dbraw/zinc/18/26/68/270182668.db2.gz ALGWNOPFPSEYMB-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC000529526896 270182669 /nfs/dbraw/zinc/18/26/69/270182669.db2.gz ALGWNOPFPSEYMB-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH+]1C ZINC000529526896 270182670 /nfs/dbraw/zinc/18/26/70/270182670.db2.gz ALGWNOPFPSEYMB-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH+]1C ZINC000529526896 270182671 /nfs/dbraw/zinc/18/26/71/270182671.db2.gz ALGWNOPFPSEYMB-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530222046 270196579 /nfs/dbraw/zinc/19/65/79/270196579.db2.gz QBSJCSZPOWCSHW-IAGOWNOFSA-N 2 1 270.420 3.328 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530225962 270196985 /nfs/dbraw/zinc/19/69/85/270196985.db2.gz YFKQZBUSHUTTPS-JKSUJKDBSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCc1c[nH+]cn1C)CCCO2 ZINC000530355038 270199369 /nfs/dbraw/zinc/19/93/69/270199369.db2.gz XMLABHHEYQNPGM-QGZVFWFLSA-N 2 1 299.418 3.083 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CC2 ZINC000178698768 274136633 /nfs/dbraw/zinc/13/66/33/274136633.db2.gz INXMQXVGFMWDHK-SCLBCKFNSA-N 2 1 299.418 3.113 20 0 CGADMP COc1ccc2cc(C[NH2+][C@@H](C[NH3+])C3CCCC3)ccc2c1 ZINC000415056177 274141335 /nfs/dbraw/zinc/14/13/35/274141335.db2.gz RUUQCTAZHDMSHI-IBGZPJMESA-N 2 1 298.430 3.456 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423401535 274217032 /nfs/dbraw/zinc/21/70/32/274217032.db2.gz QZQJXOQIZBARGI-LNSITVRQSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)C[C@@H]1[NH3+] ZINC000235367451 274345611 /nfs/dbraw/zinc/34/56/11/274345611.db2.gz FXPXFSDLBXZWQP-PXAZEXFGSA-N 2 1 264.372 3.035 20 0 CGADMP C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)C[C@@H]1[NH3+] ZINC000235367451 274345613 /nfs/dbraw/zinc/34/56/13/274345613.db2.gz FXPXFSDLBXZWQP-PXAZEXFGSA-N 2 1 264.372 3.035 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC000414692378 274385665 /nfs/dbraw/zinc/38/56/65/274385665.db2.gz PWYPJFUYRQGHCP-UWWQBHOKSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000422811442 274495886 /nfs/dbraw/zinc/49/58/86/274495886.db2.gz VYYIXEMQMCNSRS-WBMJQRKESA-N 2 1 282.378 3.365 20 0 CGADMP [NH3+]CCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000414702112 274945272 /nfs/dbraw/zinc/94/52/72/274945272.db2.gz WXMYWXRDWATDMB-UHFFFAOYSA-N 2 1 252.361 3.018 20 0 CGADMP c1ccc([C@@H]2CSCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420318350 275068300 /nfs/dbraw/zinc/06/83/00/275068300.db2.gz ONGXQTUNNYBRLO-WBVHZDCISA-N 2 1 290.476 3.166 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223929992 275069363 /nfs/dbraw/zinc/06/93/63/275069363.db2.gz LDQAOGASGCEPME-KSZLIROESA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000223929992 275069364 /nfs/dbraw/zinc/06/93/64/275069364.db2.gz LDQAOGASGCEPME-KSZLIROESA-N 2 1 270.420 3.280 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@@H]1C1CC1 ZINC000414207650 275394555 /nfs/dbraw/zinc/39/45/55/275394555.db2.gz ZPVQHJKICCPWLN-WMLDXEAASA-N 2 1 262.441 3.029 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000251189510 287832078 /nfs/dbraw/zinc/83/20/78/287832078.db2.gz ZNXGCJXTKVHZPM-QLFBSQMISA-N 2 1 276.424 3.185 20 0 CGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000122085868 275938792 /nfs/dbraw/zinc/93/87/92/275938792.db2.gz GYCINGKCPJSOSI-MRXNPFEDSA-N 2 1 276.424 3.369 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414812713 275985151 /nfs/dbraw/zinc/98/51/51/275985151.db2.gz LJJGUQCXAFYEQO-GRYCIOLGSA-N 2 1 266.351 3.215 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000353122215 276008948 /nfs/dbraw/zinc/00/89/48/276008948.db2.gz FYLVMQZUIZECSF-BSDSXHPESA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000353122215 276008950 /nfs/dbraw/zinc/00/89/50/276008950.db2.gz FYLVMQZUIZECSF-BSDSXHPESA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000513077969 276011938 /nfs/dbraw/zinc/01/19/38/276011938.db2.gz WGAMVMQPBYRNCR-OKZBNKHCSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000513077969 276011939 /nfs/dbraw/zinc/01/19/39/276011939.db2.gz WGAMVMQPBYRNCR-OKZBNKHCSA-N 2 1 272.436 3.254 20 0 CGADMP CCC1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232919449 276222071 /nfs/dbraw/zinc/22/20/71/276222071.db2.gz PWLWJIWLFWFPKJ-JWMHWRSXSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572565 276224713 /nfs/dbraw/zinc/22/47/13/276224713.db2.gz UZWYOUDUBFMRKG-KKUMJFAQSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572565 276224714 /nfs/dbraw/zinc/22/47/14/276224714.db2.gz UZWYOUDUBFMRKG-KKUMJFAQSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572565 276224715 /nfs/dbraw/zinc/22/47/15/276224715.db2.gz UZWYOUDUBFMRKG-KKUMJFAQSA-N 2 1 288.426 3.474 20 0 CGADMP CCC[N@@H+](C[C@H](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000414660197 276255289 /nfs/dbraw/zinc/25/52/89/276255289.db2.gz UMZMEUCQIDVFOB-MRXNPFEDSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)C1 ZINC000449090024 276263635 /nfs/dbraw/zinc/26/36/35/276263635.db2.gz FYWJHRXIXZQIRS-ZJIFWQFVSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000348135958 276325532 /nfs/dbraw/zinc/32/55/32/276325532.db2.gz MTCMVZFBGRFROF-QGZVFWFLSA-N 2 1 292.492 3.339 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cn1)C[NH+]1CCCC1 ZINC000274948914 287897423 /nfs/dbraw/zinc/89/74/23/287897423.db2.gz UWSYPFMNHBZSQG-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000401566844 276607672 /nfs/dbraw/zinc/60/76/72/276607672.db2.gz BPWGJWXKNJXJOK-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000037256148 277031498 /nfs/dbraw/zinc/03/14/98/277031498.db2.gz SYZRUTWKSKKHMF-MSOLQXFVSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180888 277086559 /nfs/dbraw/zinc/08/65/59/277086559.db2.gz FLUIOYKCXSFDGV-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180888 277086561 /nfs/dbraw/zinc/08/65/61/277086561.db2.gz FLUIOYKCXSFDGV-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180888 277086562 /nfs/dbraw/zinc/08/65/62/277086562.db2.gz FLUIOYKCXSFDGV-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000414338826 277218050 /nfs/dbraw/zinc/21/80/50/277218050.db2.gz MDOSYVLHUZWSEA-JKSUJKDBSA-N 2 1 294.483 3.185 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502687229 277237343 /nfs/dbraw/zinc/23/73/43/277237343.db2.gz YXLAYYZHTZIKSI-MHORFTMASA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000094848925 277353664 /nfs/dbraw/zinc/35/36/64/277353664.db2.gz FQAHKYXNMKAFHN-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000353545381 277759438 /nfs/dbraw/zinc/75/94/38/277759438.db2.gz SPSOOPYJVBBHBR-QGZVFWFLSA-N 2 1 293.430 3.383 20 0 CGADMP C[N@@H+](CCC1CCCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000394537164 288002378 /nfs/dbraw/zinc/00/23/78/288002378.db2.gz PPKRLTNZHKFICB-INIZCTEOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000290462578 278026786 /nfs/dbraw/zinc/02/67/86/278026786.db2.gz WQBQFUAXCHTCAH-CPUCHLNUSA-N 2 1 281.403 3.284 20 0 CGADMP CS[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000425349289 278163258 /nfs/dbraw/zinc/16/32/58/278163258.db2.gz FJOYTJPEXSSLJE-GJZGRUSLSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000163289081 278168363 /nfs/dbraw/zinc/16/83/63/278168363.db2.gz BDGFDKBCHMJKFA-JHJVBQTASA-N 2 1 278.362 3.324 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000163289081 278168364 /nfs/dbraw/zinc/16/83/64/278168364.db2.gz BDGFDKBCHMJKFA-JHJVBQTASA-N 2 1 278.362 3.324 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000093513483 278216119 /nfs/dbraw/zinc/21/61/19/278216119.db2.gz UNFUORBGLBSMGW-MSOLQXFVSA-N 3 1 295.515 3.009 20 0 CGADMP CSc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000397397393 288023398 /nfs/dbraw/zinc/02/33/98/288023398.db2.gz HFOXHKMYBJIEJI-YDHLFZDLSA-N 2 1 278.465 3.214 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000352214515 278297374 /nfs/dbraw/zinc/29/73/74/278297374.db2.gz ZSVHRNHWSGISOH-PMPSAXMXSA-N 2 1 290.451 3.033 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000352214515 278297375 /nfs/dbraw/zinc/29/73/75/278297375.db2.gz ZSVHRNHWSGISOH-PMPSAXMXSA-N 2 1 290.451 3.033 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000356704231 278343637 /nfs/dbraw/zinc/34/36/37/278343637.db2.gz VNBFKLIDMFCASU-JKSUJKDBSA-N 2 1 275.440 3.387 20 0 CGADMP C[C@@H]1SCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000420312721 279072787 /nfs/dbraw/zinc/07/27/87/279072787.db2.gz XCCCSNYOBUDJMF-UXLLHSPISA-N 2 1 290.476 3.165 20 0 CGADMP C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346993015 279175803 /nfs/dbraw/zinc/17/58/03/279175803.db2.gz UIDXGVJGRUYYLW-SJLPKXTDSA-N 2 1 272.436 3.040 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000438209803 279206277 /nfs/dbraw/zinc/20/62/77/279206277.db2.gz DZVVSPHWIWUPPU-QWHCGFSZSA-N 2 1 280.378 3.427 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000438209803 279206280 /nfs/dbraw/zinc/20/62/80/279206280.db2.gz DZVVSPHWIWUPPU-QWHCGFSZSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@@H](C1CCCCC1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000521894817 288142847 /nfs/dbraw/zinc/14/28/47/288142847.db2.gz XRZYIUCXNBHHDV-AWEZNQCLSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000521894817 288142848 /nfs/dbraw/zinc/14/28/48/288142848.db2.gz XRZYIUCXNBHHDV-AWEZNQCLSA-N 2 1 263.429 3.253 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252871742 288160494 /nfs/dbraw/zinc/16/04/94/288160494.db2.gz SZIHNFPCEOPYPA-MWDXBVQZSA-N 2 1 258.409 3.197 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000432422829 280009686 /nfs/dbraw/zinc/00/96/86/280009686.db2.gz VINURSRERQSZSH-JWMHWRSXSA-N 2 1 282.472 3.043 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057668 280216305 /nfs/dbraw/zinc/21/63/05/280216305.db2.gz HRFNLPXYQSZLLR-WBMJQRKESA-N 2 1 282.378 3.477 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652733 288211650 /nfs/dbraw/zinc/21/16/50/288211650.db2.gz WHVRNUUBTSMFSZ-WMZOPIPTSA-N 2 1 287.451 3.387 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652733 288211653 /nfs/dbraw/zinc/21/16/53/288211653.db2.gz WHVRNUUBTSMFSZ-WMZOPIPTSA-N 2 1 287.451 3.387 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528658975 288212029 /nfs/dbraw/zinc/21/20/29/288212029.db2.gz NIJDMGRPQOFFED-QGZVFWFLSA-N 2 1 284.407 3.108 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422812816 280255275 /nfs/dbraw/zinc/25/52/75/280255275.db2.gz RATUGTSPZKTQQW-BHYGNILZSA-N 2 1 260.425 3.014 20 0 CGADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414171126 280325762 /nfs/dbraw/zinc/32/57/62/280325762.db2.gz CQTYOJLYNBBZTQ-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000530407502 288305584 /nfs/dbraw/zinc/30/55/84/288305584.db2.gz RHRVAUVZYQCLBT-INIZCTEOSA-N 2 1 289.810 3.283 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414687476 281366343 /nfs/dbraw/zinc/36/63/43/281366343.db2.gz BVKVYIAKBVJXQN-BRWVUGGUSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101304 288329340 /nfs/dbraw/zinc/32/93/40/288329340.db2.gz DBSZQBJSIFEQCG-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531101304 288329342 /nfs/dbraw/zinc/32/93/42/288329342.db2.gz DBSZQBJSIFEQCG-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531101304 288329344 /nfs/dbraw/zinc/32/93/44/288329344.db2.gz DBSZQBJSIFEQCG-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1(CC)CC ZINC000531995276 288349134 /nfs/dbraw/zinc/34/91/34/288349134.db2.gz LZDGOGJYLCQPPE-OVYGPGRDSA-N 2 1 296.499 3.289 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CCCn1cc[nH+]c1C)CCC2 ZINC000268859967 282042464 /nfs/dbraw/zinc/04/24/64/282042464.db2.gz MFXSAJDDHZSCAR-CYBMUJFWSA-N 2 1 290.436 3.014 20 0 CGADMP C[C@H]([NH2+]C1(C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483697 289008465 /nfs/dbraw/zinc/00/84/65/289008465.db2.gz PURWXCCPOGLTTP-RDJZCZTQSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)([NH+](C)C)C1 ZINC000548885328 289028112 /nfs/dbraw/zinc/02/81/12/289028112.db2.gz XWQSMKUVNDMPDX-BPKGMFCQSA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000553214685 289213463 /nfs/dbraw/zinc/21/34/63/289213463.db2.gz YCODVFGXFPHRDD-HNNXBMFYSA-N 2 1 272.436 3.397 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000558241679 289480918 /nfs/dbraw/zinc/48/09/18/289480918.db2.gz QNJZWQWSZTYQSM-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125282022 290229995 /nfs/dbraw/zinc/22/99/95/290229995.db2.gz FKOVVGDDSMISLT-HBCZOZSTSA-N 2 1 280.362 3.085 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)CCCO2 ZINC000423397658 301213164 /nfs/dbraw/zinc/21/31/64/301213164.db2.gz USZTWKDXLXHTQM-BFYDXBDKSA-N 2 1 288.435 3.247 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCCCC1 ZINC000423176585 303359856 /nfs/dbraw/zinc/35/98/56/303359856.db2.gz HBQCGDJRTNECOD-OAHLLOKOSA-N 2 1 292.398 3.291 20 0 CGADMP c1csc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCCC2)c1 ZINC000232469039 304862649 /nfs/dbraw/zinc/86/26/49/304862649.db2.gz YFDUSVUUCPDULA-UKRRQHHQSA-N 2 1 264.438 3.321 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC1(C)C)C1CCCCC1 ZINC000385035014 328008779 /nfs/dbraw/zinc/00/87/79/328008779.db2.gz IIZHMWRJNQXZDE-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCC3CCCCC3)[C@@H]2C1 ZINC000582513807 329099546 /nfs/dbraw/zinc/09/95/46/329099546.db2.gz QPHJWICWARFTNP-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCC3CCCCC3)[C@@H]2C1 ZINC000582513807 329099547 /nfs/dbraw/zinc/09/95/47/329099547.db2.gz QPHJWICWARFTNP-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCC3CCCCC3)[C@@H]2C1 ZINC000582513807 329099548 /nfs/dbraw/zinc/09/95/48/329099548.db2.gz QPHJWICWARFTNP-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCC3CCCCC3)[C@@H]2C1 ZINC000582513807 329099549 /nfs/dbraw/zinc/09/95/49/329099549.db2.gz QPHJWICWARFTNP-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000395151746 329281428 /nfs/dbraw/zinc/28/14/28/329281428.db2.gz ZCUZAWWPPLPRDB-CQSZACIVSA-N 2 1 280.843 3.468 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000563486184 322000285 /nfs/dbraw/zinc/00/02/85/322000285.db2.gz WNVFEULTQDMYIY-MCIONIFRSA-N 2 1 261.413 3.216 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000564312644 322026310 /nfs/dbraw/zinc/02/63/10/322026310.db2.gz GXOIRUOHJZOFSP-INIZCTEOSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000564328507 322028005 /nfs/dbraw/zinc/02/80/05/322028005.db2.gz FPLHRPMJUMTJKK-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000564328507 322028007 /nfs/dbraw/zinc/02/80/07/322028007.db2.gz FPLHRPMJUMTJKK-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000564376031 322028897 /nfs/dbraw/zinc/02/88/97/322028897.db2.gz CBECEFUXNMDGJD-WMLDXEAASA-N 2 1 264.457 3.252 20 0 CGADMP Cc1cccc2c1ccnc2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000564893287 322048289 /nfs/dbraw/zinc/04/82/89/322048289.db2.gz KTPLDMVTTSOQBY-ZIAGYGMSSA-N 2 1 269.392 3.438 20 0 CGADMP Cc1ccc2ccnc(N(C)CC[N@@H+](C)C3CC3)c2c1 ZINC000564893231 322048300 /nfs/dbraw/zinc/04/83/00/322048300.db2.gz KKQMQZJEEXNNPO-UHFFFAOYSA-N 2 1 269.392 3.074 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000564973805 322052389 /nfs/dbraw/zinc/05/23/89/322052389.db2.gz TTZDCZDWVAZYLU-OLZOCXBDSA-N 2 1 295.858 3.156 20 0 CGADMP CC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000565866515 322094414 /nfs/dbraw/zinc/09/44/14/322094414.db2.gz VWUDBVHUHJTZIU-MSOLQXFVSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566413905 322121047 /nfs/dbraw/zinc/12/10/47/322121047.db2.gz JXLQYVNLLIMXNK-WMZOPIPTSA-N 2 1 297.446 3.306 20 0 CGADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000566413905 322121050 /nfs/dbraw/zinc/12/10/50/322121050.db2.gz JXLQYVNLLIMXNK-WMZOPIPTSA-N 2 1 297.446 3.306 20 0 CGADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566413902 322121122 /nfs/dbraw/zinc/12/11/22/322121122.db2.gz JXLQYVNLLIMXNK-FUHWJXTLSA-N 2 1 297.446 3.306 20 0 CGADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000566413902 322121123 /nfs/dbraw/zinc/12/11/23/322121123.db2.gz JXLQYVNLLIMXNK-FUHWJXTLSA-N 2 1 297.446 3.306 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](CCCC[NH+]2CCC[C@](C)(F)C2)C1 ZINC000567123985 322151702 /nfs/dbraw/zinc/15/17/02/322151702.db2.gz XDCAKPFKNCANJJ-IYBDPMFKSA-N 2 1 288.426 3.415 20 0 CGADMP C[C@@]1(F)CCC[NH+](CCCC[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000567123985 322151704 /nfs/dbraw/zinc/15/17/04/322151704.db2.gz XDCAKPFKNCANJJ-IYBDPMFKSA-N 2 1 288.426 3.415 20 0 CGADMP C[C@@H]1Cc2c([nH+]cn2C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1C ZINC000567808690 322178556 /nfs/dbraw/zinc/17/85/56/322178556.db2.gz ZEONAOTUDMYINU-XGUBFFRZSA-N 2 1 275.440 3.019 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2s1 ZINC000568161921 322195079 /nfs/dbraw/zinc/19/50/79/322195079.db2.gz LTEFEAOZGGGULT-WCQYABFASA-N 2 1 260.406 3.213 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000568169108 322195803 /nfs/dbraw/zinc/19/58/03/322195803.db2.gz BKCLWADIFAWXTO-RDJZCZTQSA-N 2 1 283.419 3.231 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000568169108 322195805 /nfs/dbraw/zinc/19/58/05/322195805.db2.gz BKCLWADIFAWXTO-RDJZCZTQSA-N 2 1 283.419 3.231 20 0 CGADMP CC[C@H](F)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000569514285 322249389 /nfs/dbraw/zinc/24/93/89/322249389.db2.gz ZEFCOZUGKDJFKI-BZSNNMDCSA-N 2 1 290.426 3.188 20 0 CGADMP CC[C@H](F)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569514285 322249390 /nfs/dbraw/zinc/24/93/90/322249390.db2.gz ZEFCOZUGKDJFKI-BZSNNMDCSA-N 2 1 290.426 3.188 20 0 CGADMP CC[C@H](F)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569514285 322249392 /nfs/dbraw/zinc/24/93/92/322249392.db2.gz ZEFCOZUGKDJFKI-BZSNNMDCSA-N 2 1 290.426 3.188 20 0 CGADMP CCO[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000570760682 322281576 /nfs/dbraw/zinc/28/15/76/322281576.db2.gz NJNROOMMPHJMCU-CSMYWGQOSA-N 2 1 285.391 3.009 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCCC2(C)C)CCCO1 ZINC000571382387 322297171 /nfs/dbraw/zinc/29/71/71/322297171.db2.gz ZMURZKABUWTDMU-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCCC2(C)C)CCCO1 ZINC000571382387 322297173 /nfs/dbraw/zinc/29/71/73/322297173.db2.gz ZMURZKABUWTDMU-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000572658834 322349214 /nfs/dbraw/zinc/34/92/14/322349214.db2.gz TVRCBDCGKSEJED-KDOFPFPSSA-N 2 1 281.403 3.060 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000572842074 322357430 /nfs/dbraw/zinc/35/74/30/322357430.db2.gz PNDZKSKWZPKTQN-QGZVFWFLSA-N 2 1 278.415 3.427 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000572842074 322357433 /nfs/dbraw/zinc/35/74/33/322357433.db2.gz PNDZKSKWZPKTQN-QGZVFWFLSA-N 2 1 278.415 3.427 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000573249313 322378031 /nfs/dbraw/zinc/37/80/31/322378031.db2.gz DKJPFOFGHXYZAA-PMPSAXMXSA-N 2 1 252.446 3.131 20 0 CGADMP CC[NH+](CC)Cc1ccc(NCc2c[nH+]c(C)n2C)cc1 ZINC000574465153 322442230 /nfs/dbraw/zinc/44/22/30/322442230.db2.gz CXMZRVNQIQDNOQ-UHFFFAOYSA-N 2 1 286.423 3.182 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000583389212 327339334 /nfs/dbraw/zinc/33/93/34/327339334.db2.gz FQWFTCUEBSTFJF-UHFFFAOYSA-N 2 1 277.799 3.138 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000583389212 327339336 /nfs/dbraw/zinc/33/93/36/327339336.db2.gz FQWFTCUEBSTFJF-UHFFFAOYSA-N 2 1 277.799 3.138 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000582666653 329121889 /nfs/dbraw/zinc/12/18/89/329121889.db2.gz YGKNTMWUFGBOIK-QWHCGFSZSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000582666653 329121890 /nfs/dbraw/zinc/12/18/90/329121890.db2.gz YGKNTMWUFGBOIK-QWHCGFSZSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000395133335 329275252 /nfs/dbraw/zinc/27/52/52/329275252.db2.gz HAEPZZDHKROVLJ-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(C)C ZINC000191471016 330143068 /nfs/dbraw/zinc/14/30/68/330143068.db2.gz XTDAOFMNKHLGPH-UHFFFAOYSA-N 2 1 251.418 3.204 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(C)C ZINC000191471016 330143070 /nfs/dbraw/zinc/14/30/70/330143070.db2.gz XTDAOFMNKHLGPH-UHFFFAOYSA-N 2 1 251.418 3.204 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336863058 335121750 /nfs/dbraw/zinc/12/17/50/335121750.db2.gz HQWOEPXXIWADBN-CVEARBPZSA-N 2 1 297.446 3.203 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](CC1CCCCC1)C1CC1 ZINC000576118226 335156978 /nfs/dbraw/zinc/15/69/78/335156978.db2.gz BENBLXLRGQJZDS-UHFFFAOYSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000576118226 335156979 /nfs/dbraw/zinc/15/69/79/335156979.db2.gz BENBLXLRGQJZDS-UHFFFAOYSA-N 2 1 275.440 3.397 20 0 CGADMP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000576392632 335197711 /nfs/dbraw/zinc/19/77/11/335197711.db2.gz UBQJSSVSOZDHHP-CVEARBPZSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000576392632 335197713 /nfs/dbraw/zinc/19/77/13/335197713.db2.gz UBQJSSVSOZDHHP-CVEARBPZSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576822324 335251975 /nfs/dbraw/zinc/25/19/75/335251975.db2.gz BFGQSKADLMVSLU-IEBWSBKVSA-N 2 1 286.463 3.331 20 0 CGADMP CC1=C(c2ccco2)C[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000577623162 335380746 /nfs/dbraw/zinc/38/07/46/335380746.db2.gz HAWGXNGQTBHIFO-UHFFFAOYSA-N 2 1 285.391 3.125 20 0 CGADMP CC1=C(c2ccco2)C[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000577623162 335380748 /nfs/dbraw/zinc/38/07/48/335380748.db2.gz HAWGXNGQTBHIFO-UHFFFAOYSA-N 2 1 285.391 3.125 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2Cc3ccccc3C2)C[C@@H]1C ZINC000581102684 336008501 /nfs/dbraw/zinc/00/85/01/336008501.db2.gz HQKINBMZJIKOLX-HNAYVOBHSA-N 2 1 286.463 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2Cc3ccccc3C2)C[C@@H]1C ZINC000581102684 336008502 /nfs/dbraw/zinc/00/85/02/336008502.db2.gz HQKINBMZJIKOLX-HNAYVOBHSA-N 2 1 286.463 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2Cc3ccccc3C2)C[C@@H]1C ZINC000581102684 336008503 /nfs/dbraw/zinc/00/85/03/336008503.db2.gz HQKINBMZJIKOLX-HNAYVOBHSA-N 2 1 286.463 3.206 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000581173604 336019217 /nfs/dbraw/zinc/01/92/17/336019217.db2.gz VQRPYYJUERFZPS-ZDUSSCGKSA-N 2 1 251.418 3.386 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000581191197 336021977 /nfs/dbraw/zinc/02/19/77/336021977.db2.gz PKFBNWCJPWLCFI-SZMVWBNQSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC000383598889 336114981 /nfs/dbraw/zinc/11/49/81/336114981.db2.gz UNFXJXBYRFWEJS-HOCLYGCPSA-N 2 1 258.409 3.039 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000385429917 336146118 /nfs/dbraw/zinc/14/61/18/336146118.db2.gz LWUKVXKGOFWEER-ZBFHGGJFSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2C)CC[C@@H]1[NH3+] ZINC000220233496 572875813 /nfs/dbraw/zinc/87/58/13/572875813.db2.gz WFDSIGYWZIRYAT-WBVHZDCISA-N 2 1 260.425 3.171 20 0 CGADMP C[C@@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424372648 533809041 /nfs/dbraw/zinc/80/90/41/533809041.db2.gz FYHCSWNWLNSOGI-HOTGVXAUSA-N 2 1 272.436 3.254 20 0 CGADMP COc1cccc2c(NCC[C@H]3CCC[NH2+]3)cc(C)[nH+]c12 ZINC000420244220 533845489 /nfs/dbraw/zinc/84/54/89/533845489.db2.gz YLGQYMLBRFIQBP-CYBMUJFWSA-N 2 1 285.391 3.106 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000411449210 533920838 /nfs/dbraw/zinc/92/08/38/533920838.db2.gz SDFYDTOPXCQVKB-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000411449210 533920845 /nfs/dbraw/zinc/92/08/45/533920845.db2.gz SDFYDTOPXCQVKB-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288048 534157472 /nfs/dbraw/zinc/15/74/72/534157472.db2.gz JVUOAWRWIIOGHB-AWEZNQCLSA-N 2 1 276.399 3.098 20 0 CGADMP c1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCCC2)cc1 ZINC000423246683 534500588 /nfs/dbraw/zinc/50/05/88/534500588.db2.gz ZSAJIXNEMONUPZ-IRXDYDNUSA-N 2 1 258.409 3.260 20 0 CGADMP Fc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc21 ZINC000436295746 534528686 /nfs/dbraw/zinc/52/86/86/534528686.db2.gz ZRRDMDXKJHPSCN-OCCSQVGLSA-N 2 1 287.382 3.023 20 0 CGADMP Fc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000436295746 534528687 /nfs/dbraw/zinc/52/86/87/534528687.db2.gz ZRRDMDXKJHPSCN-OCCSQVGLSA-N 2 1 287.382 3.023 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157387274 521373135 /nfs/dbraw/zinc/37/31/35/521373135.db2.gz YWPYLSBIRARYGV-QZTJIDSGSA-N 2 1 282.387 3.320 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157455367 521841818 /nfs/dbraw/zinc/84/18/18/521841818.db2.gz UCBPKMCGSKWJHL-QZTJIDSGSA-N 2 1 266.388 3.483 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccc(Br)c1 ZINC000087472105 521994898 /nfs/dbraw/zinc/99/48/98/521994898.db2.gz FTOFBRGITRIRJC-LLVKDONJSA-N 2 1 285.229 3.051 20 0 CGADMP COC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000156220318 522355016 /nfs/dbraw/zinc/35/50/16/522355016.db2.gz NUKMTSURLFXTMS-FUHWJXTLSA-N 2 1 292.467 3.158 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000037643694 524045950 /nfs/dbraw/zinc/04/59/50/524045950.db2.gz ZDWVWMCGGBVJDX-HOCLYGCPSA-N 2 1 260.425 3.241 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157395592 524156130 /nfs/dbraw/zinc/15/61/30/524156130.db2.gz KDQFSFXPHAMLKE-IGNZVWTISA-N 2 1 282.387 3.491 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433796 524166864 /nfs/dbraw/zinc/16/68/64/524166864.db2.gz GXVUUFSVNZVERW-NEPJUHHUSA-N 2 1 277.437 3.287 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000193138235 534769390 /nfs/dbraw/zinc/76/93/90/534769390.db2.gz FZJVCXFFMCSMTO-HIFRSBDPSA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000414060785 526566009 /nfs/dbraw/zinc/56/60/09/526566009.db2.gz JZFPIISYWCEOIF-FVQBIDKESA-N 2 1 294.483 3.043 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000156090111 527194332 /nfs/dbraw/zinc/19/43/32/527194332.db2.gz CCQAIEMMULHORA-CQSZACIVSA-N 2 1 268.351 3.328 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423288091 527256684 /nfs/dbraw/zinc/25/66/84/527256684.db2.gz QLJJPSQIHSJJQJ-KRWDZBQOSA-N 2 1 286.394 3.436 20 0 CGADMP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156023250 527476904 /nfs/dbraw/zinc/47/69/04/527476904.db2.gz STLJZSAHQXBKAO-HZPDHXFCSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423316694 527782182 /nfs/dbraw/zinc/78/21/82/527782182.db2.gz JYUGLBZPPWYOGX-KDOFPFPSSA-N 2 1 290.451 3.499 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2Cl)C1 ZINC000424262790 527815151 /nfs/dbraw/zinc/81/51/51/527815151.db2.gz GQMAWHDOLAVQAB-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2Cl)C1 ZINC000424262790 527815154 /nfs/dbraw/zinc/81/51/54/527815154.db2.gz GQMAWHDOLAVQAB-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026003 527832116 /nfs/dbraw/zinc/83/21/16/527832116.db2.gz DGBJNVMJKFVQHT-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026003 527832120 /nfs/dbraw/zinc/83/21/20/527832120.db2.gz DGBJNVMJKFVQHT-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026003 527832124 /nfs/dbraw/zinc/83/21/24/527832124.db2.gz DGBJNVMJKFVQHT-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026006 527833067 /nfs/dbraw/zinc/83/30/67/527833067.db2.gz DGBJNVMJKFVQHT-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026006 527833070 /nfs/dbraw/zinc/83/30/70/527833070.db2.gz DGBJNVMJKFVQHT-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026006 527833075 /nfs/dbraw/zinc/83/30/75/527833075.db2.gz DGBJNVMJKFVQHT-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000449025402 527836375 /nfs/dbraw/zinc/83/63/75/527836375.db2.gz BNGNLXKSRKCPAM-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000449025402 527836382 /nfs/dbraw/zinc/83/63/82/527836382.db2.gz BNGNLXKSRKCPAM-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000449025402 527836387 /nfs/dbraw/zinc/83/63/87/527836387.db2.gz BNGNLXKSRKCPAM-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000449025402 527836391 /nfs/dbraw/zinc/83/63/91/527836391.db2.gz BNGNLXKSRKCPAM-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc32)[C@H](C)C1 ZINC000449361227 527882706 /nfs/dbraw/zinc/88/27/06/527882706.db2.gz IVNKHKBXNQAEIG-YCPHGPKFSA-N 2 1 290.476 3.196 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000449379772 527882999 /nfs/dbraw/zinc/88/29/99/527882999.db2.gz UOSRPZPTVGWTLQ-MJBXVCDLSA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)O[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000428253464 528075667 /nfs/dbraw/zinc/07/56/67/528075667.db2.gz QSCSJORBQUAIAQ-SJLPKXTDSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000152509795 528113144 /nfs/dbraw/zinc/11/31/44/528113144.db2.gz PFNXTPKAFJXEEU-ZDUSSCGKSA-N 2 1 282.403 3.217 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423272824 528312526 /nfs/dbraw/zinc/31/25/26/528312526.db2.gz ZLFODGHRVFJURH-YPMHNXCESA-N 2 1 277.437 3.320 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](F)CC)CC1 ZINC000440694017 528339421 /nfs/dbraw/zinc/33/94/21/528339421.db2.gz PVNSRSMIRLPULR-OAHLLOKOSA-N 2 1 258.425 3.178 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423312901 528512414 /nfs/dbraw/zinc/51/24/14/528512414.db2.gz STCGGQTZQRNMDG-STQMWFEESA-N 2 1 268.832 3.421 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000423433326 528690511 /nfs/dbraw/zinc/69/05/11/528690511.db2.gz CCGWWVURXZYHTL-MCIONIFRSA-N 2 1 294.439 3.260 20 0 CGADMP CC[N@@H+](Cc1ccc(C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435392550 528777316 /nfs/dbraw/zinc/77/73/16/528777316.db2.gz XDENPDAWTZCKGS-ZDUSSCGKSA-N 2 1 252.427 3.021 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[NH+](C)C ZINC000449079208 528823514 /nfs/dbraw/zinc/82/35/14/528823514.db2.gz XUGHSWBTHKBEMZ-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367999230 528897477 /nfs/dbraw/zinc/89/74/77/528897477.db2.gz UAXLLOQIXLHCER-VGWMRTNUSA-N 2 1 252.446 3.418 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423287259 528950233 /nfs/dbraw/zinc/95/02/33/528950233.db2.gz LDLJEOHDRUPGPT-JTQLQIEISA-N 2 1 256.340 3.133 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000423289613 528951380 /nfs/dbraw/zinc/95/13/80/528951380.db2.gz XVTANBQJDQDCSU-HNNXBMFYSA-N 2 1 263.429 3.276 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000423289074 528952382 /nfs/dbraw/zinc/95/23/82/528952382.db2.gz WAUZHZULXGQDDJ-GFCCVEGCSA-N 2 1 281.419 3.060 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423301501 528955358 /nfs/dbraw/zinc/95/53/58/528955358.db2.gz TZVIUHJJHBCUIC-WCQYABFASA-N 2 1 266.454 3.405 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000423298198 528956563 /nfs/dbraw/zinc/95/65/63/528956563.db2.gz NOKISAZKRJXMOY-UKRRQHHQSA-N 2 1 292.423 3.016 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423302898 528957015 /nfs/dbraw/zinc/95/70/15/528957015.db2.gz WFNIOQMUIWYEMA-UKRRQHHQSA-N 2 1 274.408 3.471 20 0 CGADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414194613 529008240 /nfs/dbraw/zinc/00/82/40/529008240.db2.gz ULGSQQMIHPCESY-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc(Br)c1 ZINC000423280377 529178704 /nfs/dbraw/zinc/17/87/04/529178704.db2.gz UATVBXWAFWPKJR-UONOGXRCSA-N 2 1 299.256 3.473 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358515834 529182080 /nfs/dbraw/zinc/18/20/80/529182080.db2.gz NOXGRAHMYXZADX-MRXNPFEDSA-N 2 1 258.409 3.213 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(F)cc1 ZINC000423262967 529201633 /nfs/dbraw/zinc/20/16/33/529201633.db2.gz NXIZMNPHIWKTFN-HUUCEWRRSA-N 2 1 252.377 3.240 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000414229056 529203260 /nfs/dbraw/zinc/20/32/60/529203260.db2.gz ZGNRTDCJRGHIDR-IXDOHACOSA-N 2 1 258.409 3.354 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423343193 529246706 /nfs/dbraw/zinc/24/67/06/529246706.db2.gz ZLIVAUJKBQDKOZ-GFCCVEGCSA-N 2 1 264.438 3.331 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000495076447 535215447 /nfs/dbraw/zinc/21/54/47/535215447.db2.gz ASDHONLJGBUSBB-INIZCTEOSA-N 2 1 284.513 3.183 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738311268 572370976 /nfs/dbraw/zinc/37/09/76/572370976.db2.gz DLQNYNGNXHNHIV-ZDUSSCGKSA-N 2 1 264.388 3.160 20 0 CGADMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397956261 572494128 /nfs/dbraw/zinc/49/41/28/572494128.db2.gz BSPMVQBLTDUTQK-NSWPXQNRSA-N 2 1 258.409 3.063 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCC1 ZINC000398186823 572498706 /nfs/dbraw/zinc/49/87/06/572498706.db2.gz LPPUQIBXUJLWCI-CRAIPNDOSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCC1 ZINC000398186823 572498709 /nfs/dbraw/zinc/49/87/09/572498709.db2.gz LPPUQIBXUJLWCI-CRAIPNDOSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166389122 572814679 /nfs/dbraw/zinc/81/46/79/572814679.db2.gz RBZLKMOKODUTNZ-ZWKOTPCHSA-N 2 1 286.463 3.489 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C)C[C@H]1C ZINC000749118121 572989309 /nfs/dbraw/zinc/98/93/09/572989309.db2.gz ZHFVSAPLFNTNSC-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccc(CC[NH+]2CCC([NH2+]C(C)C)CC2)cc1C ZINC000891877086 618355317 /nfs/dbraw/zinc/35/53/17/618355317.db2.gz UVNIZLGJEHRRPV-UHFFFAOYSA-N 2 1 274.452 3.308 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CCCOC)CCC2)[C@H](C)C1 ZINC000892106394 618534053 /nfs/dbraw/zinc/53/40/53/618534053.db2.gz UVQFRLDXXIPHNE-SJORKVTESA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CCCOC)CCC2)[C@H](C)C1 ZINC000892106394 618534063 /nfs/dbraw/zinc/53/40/63/618534063.db2.gz UVQFRLDXXIPHNE-SJORKVTESA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CCCOC)CCC2)[C@H](C)C1 ZINC000892106394 618534070 /nfs/dbraw/zinc/53/40/70/618534070.db2.gz UVQFRLDXXIPHNE-SJORKVTESA-N 2 1 296.499 3.245 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926510635 618717739 /nfs/dbraw/zinc/71/77/39/618717739.db2.gz XDZRMHYPBHQUGU-VUCRHFMTSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000235530871 618806777 /nfs/dbraw/zinc/80/67/77/618806777.db2.gz ZROJDDPJVSFWPG-ZFWWWQNUSA-N 2 1 254.377 3.242 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707682 618832646 /nfs/dbraw/zinc/83/26/46/618832646.db2.gz SCZXKZBDKVCLGS-RYQLBKOJSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707682 618832649 /nfs/dbraw/zinc/83/26/49/618832649.db2.gz SCZXKZBDKVCLGS-RYQLBKOJSA-N 2 1 294.483 3.044 20 0 CGADMP COc1ccnc([C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000924573541 618856269 /nfs/dbraw/zinc/85/62/69/618856269.db2.gz QDQPEJRKHPCMFP-GJZGRUSLSA-N 2 1 291.439 3.005 20 0 CGADMP COCCC1(C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CCCC1 ZINC000925556061 619056296 /nfs/dbraw/zinc/05/62/96/619056296.db2.gz JPWGRUVPXNOYHV-RDJZCZTQSA-N 2 1 290.451 3.261 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000925630806 619097512 /nfs/dbraw/zinc/09/75/12/619097512.db2.gz UAKYLSQYONRIRZ-BXUZGUMPSA-N 2 1 268.351 3.242 20 0 CGADMP COC1CCC(CCN[C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925648681 619106797 /nfs/dbraw/zinc/10/67/97/619106797.db2.gz WRSBAZXKMVTZHB-OBHHBEAMSA-N 2 1 290.451 3.260 20 0 CGADMP COC1CCC(CC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925648681 619106799 /nfs/dbraw/zinc/10/67/99/619106799.db2.gz WRSBAZXKMVTZHB-OBHHBEAMSA-N 2 1 290.451 3.260 20 0 CGADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000925682868 619131309 /nfs/dbraw/zinc/13/13/09/619131309.db2.gz GXJZEQXQOPONRF-XYVMCAHJSA-N 2 1 290.451 3.116 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000925724906 619181347 /nfs/dbraw/zinc/18/13/47/619181347.db2.gz NXCAYIJPAXFDKJ-ABAIWWIYSA-N 2 1 291.826 3.094 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)CCC2 ZINC000925776983 619239649 /nfs/dbraw/zinc/23/96/49/619239649.db2.gz BMGBDTHRYPYMFL-MLGOLLRUSA-N 2 1 294.389 3.071 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925779204 619241851 /nfs/dbraw/zinc/24/18/51/619241851.db2.gz MFTCOKRRXYXDGW-WFASDCNBSA-N 2 1 282.378 3.144 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925781742 619243495 /nfs/dbraw/zinc/24/34/95/619243495.db2.gz JOZUIKLMAYFTRM-UKRRQHHQSA-N 2 1 282.378 3.199 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C1CCC1)C1CCCC1)C2 ZINC000925814845 619261217 /nfs/dbraw/zinc/26/12/17/619261217.db2.gz REYJRTBHKAQVMK-WBVHZDCISA-N 2 1 273.424 3.146 20 0 CGADMP Fc1cccc(/C=C\C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000893966174 619341301 /nfs/dbraw/zinc/34/13/01/619341301.db2.gz IXVFPSNLENGUSA-ZSQCLPQSSA-N 2 1 285.366 3.442 20 0 CGADMP Cc1coc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000894096855 619370805 /nfs/dbraw/zinc/37/08/05/619370805.db2.gz YSABGJUCOBIWKD-RHSMWYFYSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000894096855 619370807 /nfs/dbraw/zinc/37/08/07/619370807.db2.gz YSABGJUCOBIWKD-RHSMWYFYSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000894096855 619370808 /nfs/dbraw/zinc/37/08/08/619370808.db2.gz YSABGJUCOBIWKD-RHSMWYFYSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000894096855 619370810 /nfs/dbraw/zinc/37/08/10/619370810.db2.gz YSABGJUCOBIWKD-RHSMWYFYSA-N 2 1 274.408 3.037 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261719930 619386506 /nfs/dbraw/zinc/38/65/06/619386506.db2.gz FSFKRAPFUQFXOA-GUYCJALGSA-N 2 1 272.392 3.425 20 0 CGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000877539645 619400436 /nfs/dbraw/zinc/40/04/36/619400436.db2.gz QQLNCDVNPOUQEX-KSMMKXTCSA-N 2 1 292.404 3.028 20 0 CGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000877539645 619400439 /nfs/dbraw/zinc/40/04/39/619400439.db2.gz QQLNCDVNPOUQEX-KSMMKXTCSA-N 2 1 292.404 3.028 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1C(C)C ZINC000261813504 619441081 /nfs/dbraw/zinc/44/10/81/619441081.db2.gz ZZZYLYVEDKOPNZ-GOSISDBHSA-N 2 1 290.451 3.168 20 0 CGADMP CC(C)(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000925056609 619513201 /nfs/dbraw/zinc/51/32/01/619513201.db2.gz GVNPDVJGUQIZBY-IAGOWNOFSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000894458759 619543376 /nfs/dbraw/zinc/54/33/76/619543376.db2.gz ZKHDAVJETVJDHE-KRWDZBQOSA-N 2 1 289.467 3.100 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000894458759 619543380 /nfs/dbraw/zinc/54/33/80/619543380.db2.gz ZKHDAVJETVJDHE-KRWDZBQOSA-N 2 1 289.467 3.100 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccc(C(F)(F)F)s1)[NH+](C)C ZINC000895294063 619797516 /nfs/dbraw/zinc/79/75/16/619797516.db2.gz OJBRLUGKPWEVCN-SECBINFHSA-N 2 1 280.359 3.197 20 0 CGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC1CCSCC1 ZINC000895375996 619815864 /nfs/dbraw/zinc/81/58/64/619815864.db2.gz BEIGIYOHRXYGSP-ZBFHGGJFSA-N 2 1 284.513 3.182 20 0 CGADMP Cc1cc(NC2CCC(C)([NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000895528882 619842044 /nfs/dbraw/zinc/84/20/44/619842044.db2.gz QRPKEBRBWPMCJP-UHFFFAOYSA-N 2 1 288.439 3.302 20 0 CGADMP Cc1coc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000895682459 619871984 /nfs/dbraw/zinc/87/19/84/619871984.db2.gz DMVWFQNQPHHNEW-UHFFFAOYSA-N 2 1 264.413 3.286 20 0 CGADMP C[NH+](C)CC[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1cccnc1 ZINC000895890877 619901601 /nfs/dbraw/zinc/90/16/01/619901601.db2.gz CYBZCHBTWQJOES-CQSZACIVSA-N 2 1 295.390 3.063 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621771 620411057 /nfs/dbraw/zinc/41/10/57/620411057.db2.gz SFUFMVCWBBMVMK-BPQIPLTHSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@H](CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621771 620411064 /nfs/dbraw/zinc/41/10/64/620411064.db2.gz SFUFMVCWBBMVMK-BPQIPLTHSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@H](CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621771 620411069 /nfs/dbraw/zinc/41/10/69/620411069.db2.gz SFUFMVCWBBMVMK-BPQIPLTHSA-N 2 1 272.436 3.064 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)CC1(C)C ZINC000897772326 620426620 /nfs/dbraw/zinc/42/66/20/620426620.db2.gz RBCSEZKYLIOSTO-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP FC1(F)CC[C@H](CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000898017845 620467121 /nfs/dbraw/zinc/46/71/21/620467121.db2.gz UTVHZFNJMMVTRO-HZSPNIEDSA-N 2 1 272.383 3.028 20 0 CGADMP FC1(F)CCC(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000898031226 620468973 /nfs/dbraw/zinc/46/89/73/620468973.db2.gz CVLWQABVQBQJNG-UHFFFAOYSA-N 2 1 286.410 3.418 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000924688216 620563684 /nfs/dbraw/zinc/56/36/84/620563684.db2.gz RUZCQLXARGZLLS-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C/C=C\Cl)CC1 ZINC000898434916 620587619 /nfs/dbraw/zinc/58/76/19/620587619.db2.gz YTHRNXCUFMIIQE-ZJSMVXQZSA-N 2 1 270.848 3.372 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1c(C)noc1C ZINC000902373464 621278534 /nfs/dbraw/zinc/27/85/34/621278534.db2.gz XLMXNIVZSDDYJJ-ZIAGYGMSSA-N 2 1 279.428 3.110 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902471789 621342434 /nfs/dbraw/zinc/34/24/34/621342434.db2.gz SOAJTFSLHTWSNZ-NNPSNHGLSA-N 2 1 270.420 3.114 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000903060095 621549447 /nfs/dbraw/zinc/54/94/47/621549447.db2.gz QPVRCCDUASEUSD-XJIUQZFPSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC(F)F ZINC000903193195 621621387 /nfs/dbraw/zinc/62/13/87/621621387.db2.gz TULZYEWAETWTDH-WDFAYWTNSA-N 2 1 272.383 3.025 20 0 CGADMP C(C[C@H]1CCCS1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903210983 621630349 /nfs/dbraw/zinc/63/03/49/621630349.db2.gz CIIKDKHHWHHVLA-YPAMNDHTSA-N 2 1 280.481 3.020 20 0 CGADMP CCCC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382162 621723978 /nfs/dbraw/zinc/72/39/78/621723978.db2.gz CYFQETUOHOZAJH-ZBFHGGJFSA-N 2 1 263.429 3.243 20 0 CGADMP C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903438423 621747392 /nfs/dbraw/zinc/74/73/92/621747392.db2.gz VJJXSCHFBMPNOK-BPQIPLTHSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000903439101 621747945 /nfs/dbraw/zinc/74/79/45/621747945.db2.gz DHZBRALIWPAHHD-HDEZJCGLSA-N 2 1 290.476 3.292 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903461582 621752587 /nfs/dbraw/zinc/75/25/87/621752587.db2.gz VCQRCRBEPFBPIN-GXTWGEPZSA-N 2 1 264.438 3.110 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903454110 621761415 /nfs/dbraw/zinc/76/14/15/621761415.db2.gz UTGDAESCTIFGKA-ZIAGYGMSSA-N 2 1 274.399 3.133 20 0 CGADMP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481820 621765039 /nfs/dbraw/zinc/76/50/39/621765039.db2.gz NSCUKYMDKNSTAP-CHWSQXEVSA-N 2 1 272.383 3.076 20 0 CGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903565741 621767513 /nfs/dbraw/zinc/76/75/13/621767513.db2.gz CYBPANOOHLBEHN-NUJGCVRESA-N 2 1 272.436 3.254 20 0 CGADMP COCC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000903722317 621796318 /nfs/dbraw/zinc/79/63/18/621796318.db2.gz KORCYNCOOZBYTE-IRXDYDNUSA-N 2 1 290.451 3.086 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811268 621814194 /nfs/dbraw/zinc/81/41/94/621814194.db2.gz KQFZKHBNEPDMQL-ZDUSSCGKSA-N 2 1 274.399 3.405 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCCC2CC2)CCC1 ZINC000903812598 621814714 /nfs/dbraw/zinc/81/47/14/621814714.db2.gz UOPALDUNILLWMF-HNNXBMFYSA-N 2 1 250.430 3.160 20 0 CGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCc2ccccc21 ZINC000903878086 621825531 /nfs/dbraw/zinc/82/55/31/621825531.db2.gz FLBZXLODQXPWSB-NZZOQPFGSA-N 2 1 270.420 3.136 20 0 CGADMP Fc1cccc([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903883864 621825960 /nfs/dbraw/zinc/82/59/60/621825960.db2.gz KWPUEWOLUKDYGO-ZKVVCRCRSA-N 2 1 288.410 3.493 20 0 CGADMP Oc1ccc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903903270 621831417 /nfs/dbraw/zinc/83/14/17/621831417.db2.gz HPXNQLIJVDJYJY-NPVYPNSJSA-N 2 1 286.419 3.060 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903925656 621833836 /nfs/dbraw/zinc/83/38/36/621833836.db2.gz PEAREWQFBYUPIC-LSDHHAIUSA-N 2 1 284.394 3.360 20 0 CGADMP c1ccc2c(c1)CC[C@@]21CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937054 621835364 /nfs/dbraw/zinc/83/53/64/621835364.db2.gz AMSPPMRRXQXEDK-IVZBYUQCSA-N 2 1 296.458 3.107 20 0 CGADMP C(C1CC1)[N@@H+](CC1CCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917920 621836211 /nfs/dbraw/zinc/83/62/11/621836211.db2.gz OTCDLKJHNCZZHY-ALOPSCKCSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2c2cccs2)CCC[NH2+]C1 ZINC000904303823 621901859 /nfs/dbraw/zinc/90/18/59/621901859.db2.gz IKQUAQXRVAAHEN-UKRRQHHQSA-N 2 1 264.438 3.275 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000904333360 621908774 /nfs/dbraw/zinc/90/87/74/621908774.db2.gz XYZALXMDMVYRTJ-CORIIIEPSA-N 2 1 298.352 3.232 20 0 CGADMP C[N@@H+](CC1(c2ccccc2)CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904342647 621909322 /nfs/dbraw/zinc/90/93/22/621909322.db2.gz LZRGKLSZLJDBOI-QGZVFWFLSA-N 2 1 272.436 3.040 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)C1 ZINC000904342856 621909379 /nfs/dbraw/zinc/90/93/79/621909379.db2.gz OWHSGDDVYCRMDQ-WDYCEAGBSA-N 2 1 284.447 3.094 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC3(CCCCC3)CC2)C1 ZINC000904340688 621909463 /nfs/dbraw/zinc/90/94/63/621909463.db2.gz BOIPOSOGHQATCR-GASCZTMLSA-N 2 1 250.430 3.160 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)C1 ZINC000904346712 621910363 /nfs/dbraw/zinc/91/03/63/621910363.db2.gz ZDTDGJXZAPJHLU-WOVMCDHWSA-N 2 1 290.426 3.350 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000904406913 621919326 /nfs/dbraw/zinc/91/93/26/621919326.db2.gz WWAIWJBHJCFYJY-HNNXBMFYSA-N 2 1 288.435 3.179 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1C[NH3+] ZINC000904412370 621919403 /nfs/dbraw/zinc/91/94/03/621919403.db2.gz UKYCWDOMDGWWNJ-QAPCUYQASA-N 2 1 295.430 3.165 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(C)o1 ZINC000163671982 622794730 /nfs/dbraw/zinc/79/47/30/622794730.db2.gz FXVQTUWNORTIAQ-CYBMUJFWSA-N 2 1 264.413 3.108 20 0 CGADMP CCOc1cccc([C@H](C)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000156567872 622826298 /nfs/dbraw/zinc/82/62/98/622826298.db2.gz DHRHYPQOZKKRKF-HOCLYGCPSA-N 2 1 276.424 3.220 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000057847481 622889801 /nfs/dbraw/zinc/88/98/01/622889801.db2.gz PIWVUALMDLNIMQ-UHFFFAOYSA-N 2 1 295.858 3.289 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252512831 624883075 /nfs/dbraw/zinc/88/30/75/624883075.db2.gz ABTWUGGVMTVVPG-GQGLESIBSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252512831 624883078 /nfs/dbraw/zinc/88/30/78/624883078.db2.gz ABTWUGGVMTVVPG-GQGLESIBSA-N 2 1 294.483 3.044 20 0 CGADMP C(=C\[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)\c1ccccc1 ZINC000923272700 626142116 /nfs/dbraw/zinc/14/21/16/626142116.db2.gz OZKANQALHJNMKY-GIFJBRJJSA-N 2 1 270.420 3.164 20 0 CGADMP C[C@H](C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccs1 ZINC000923372354 626149438 /nfs/dbraw/zinc/14/94/38/626149438.db2.gz GAKQPEMEXDLOPH-FFHGMXDLSA-N 2 1 293.480 3.099 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492212 626157930 /nfs/dbraw/zinc/15/79/30/626157930.db2.gz AIMYUILXXZARGC-YRGRVCCFSA-N 2 1 266.816 3.318 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493203 626158515 /nfs/dbraw/zinc/15/85/15/626158515.db2.gz FKNGCPLETGMWBO-ZBFHGGJFSA-N 2 1 290.451 3.235 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517568 626160656 /nfs/dbraw/zinc/16/06/56/626160656.db2.gz FBVYWBBHVXOAKX-HYVNUMGLSA-N 2 1 280.415 3.442 20 0 CGADMP CCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000759381529 626892505 /nfs/dbraw/zinc/89/25/05/626892505.db2.gz ZCXAJZHRGVTBMJ-BBWFWOEESA-N 2 1 284.488 3.122 20 0 CGADMP CCCCCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000759381529 626892508 /nfs/dbraw/zinc/89/25/08/626892508.db2.gz ZCXAJZHRGVTBMJ-BBWFWOEESA-N 2 1 284.488 3.122 20 0 CGADMP CCCCCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000759381529 626892513 /nfs/dbraw/zinc/89/25/13/626892513.db2.gz ZCXAJZHRGVTBMJ-BBWFWOEESA-N 2 1 284.488 3.122 20 0 CGADMP CCCCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762649582 627119134 /nfs/dbraw/zinc/11/91/34/627119134.db2.gz OCNVACHSELIPQP-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762649582 627119136 /nfs/dbraw/zinc/11/91/36/627119136.db2.gz OCNVACHSELIPQP-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000765238172 627243217 /nfs/dbraw/zinc/24/32/17/627243217.db2.gz GUTIQALLSYOSPX-JKSUJKDBSA-N 2 1 284.407 3.244 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765974432 627283156 /nfs/dbraw/zinc/28/31/56/627283156.db2.gz HJTDXMQCMWUMEX-CGTJXYLNSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cc(C)oc1C ZINC000767353222 627400403 /nfs/dbraw/zinc/40/04/03/627400403.db2.gz DQYAFXPGFIRFNZ-UHFFFAOYSA-N 2 1 266.429 3.498 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)Cc2ccccc21 ZINC000767355788 627400911 /nfs/dbraw/zinc/40/09/11/627400911.db2.gz VHJKHYVMSWJLIJ-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)Cc2ccccc21 ZINC000767355788 627400913 /nfs/dbraw/zinc/40/09/13/627400913.db2.gz VHJKHYVMSWJLIJ-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)Cc2ccccc21 ZINC000767355788 627400917 /nfs/dbraw/zinc/40/09/17/627400917.db2.gz VHJKHYVMSWJLIJ-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000768236254 627470032 /nfs/dbraw/zinc/47/00/32/627470032.db2.gz DLCZDTACKYFSLN-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc3ccccc32)[C@@H](C)C1 ZINC000769484017 627559532 /nfs/dbraw/zinc/55/95/32/627559532.db2.gz JEVASFIECZNIIU-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc3ccccc32)[C@@H](C)C1 ZINC000769484017 627559534 /nfs/dbraw/zinc/55/95/34/627559534.db2.gz JEVASFIECZNIIU-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc3ccccc32)[C@@H](C)C1 ZINC000769484017 627559535 /nfs/dbraw/zinc/55/95/35/627559535.db2.gz JEVASFIECZNIIU-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000769503784 627560374 /nfs/dbraw/zinc/56/03/74/627560374.db2.gz LZJAAMSXTOGPIK-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000769503784 627560377 /nfs/dbraw/zinc/56/03/77/627560377.db2.gz LZJAAMSXTOGPIK-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000769870227 627585179 /nfs/dbraw/zinc/58/51/79/627585179.db2.gz FNNUSGLSEZKWIM-NWDGAFQWSA-N 2 1 290.411 3.037 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776252789 628184602 /nfs/dbraw/zinc/18/46/02/628184602.db2.gz ZAMAPOHTCOAKJU-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776252789 628184603 /nfs/dbraw/zinc/18/46/03/628184603.db2.gz ZAMAPOHTCOAKJU-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000780302018 628480317 /nfs/dbraw/zinc/48/03/17/628480317.db2.gz NBPSOVCDBHFBJT-WDYCEAGBSA-N 2 1 286.463 3.379 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000780302018 628480320 /nfs/dbraw/zinc/48/03/20/628480320.db2.gz NBPSOVCDBHFBJT-WDYCEAGBSA-N 2 1 286.463 3.379 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000780302018 628480323 /nfs/dbraw/zinc/48/03/23/628480323.db2.gz NBPSOVCDBHFBJT-WDYCEAGBSA-N 2 1 286.463 3.379 20 0 CGADMP C[NH+]1CCC(C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000788468879 629056874 /nfs/dbraw/zinc/05/68/74/629056874.db2.gz CDZWIZBQMVFDGC-UHFFFAOYSA-N 2 1 276.399 3.132 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000788479110 629057126 /nfs/dbraw/zinc/05/71/26/629057126.db2.gz NXKLTCMBGAMNBB-KRWDZBQOSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)cn1 ZINC000796694314 629816192 /nfs/dbraw/zinc/81/61/92/629816192.db2.gz LFMARJRIQXHOJR-HZPDHXFCSA-N 2 1 284.407 3.100 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1F ZINC000798957522 630128628 /nfs/dbraw/zinc/12/86/28/630128628.db2.gz ZBSXNCTWUSEFOA-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000865633962 630240525 /nfs/dbraw/zinc/24/05/25/630240525.db2.gz SCLWPRQHXZVTKO-INIZCTEOSA-N 2 1 289.467 3.039 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000865633962 630240535 /nfs/dbraw/zinc/24/05/35/630240535.db2.gz SCLWPRQHXZVTKO-INIZCTEOSA-N 2 1 289.467 3.039 20 0 CGADMP Cc1cc(Br)cc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000809729809 630793346 /nfs/dbraw/zinc/79/33/46/630793346.db2.gz OHNJHVDUXWBFLX-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP Cc1cc(Br)cc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000809729809 630793352 /nfs/dbraw/zinc/79/33/52/630793352.db2.gz OHNJHVDUXWBFLX-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000817958716 632253333 /nfs/dbraw/zinc/25/33/33/632253333.db2.gz LVEAOXNAKKISNB-TZMCWYRMSA-N 2 1 272.502 3.404 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(SC(F)F)cc1 ZINC000817960690 632255844 /nfs/dbraw/zinc/25/58/44/632255844.db2.gz PVMIOYFNDMCEBX-NOZJJQNGSA-N 2 1 286.391 3.389 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000817963504 632258854 /nfs/dbraw/zinc/25/88/54/632258854.db2.gz SOSUYSFMPBWGFH-BBRMVZONSA-N 2 1 294.439 3.010 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000817964059 632258911 /nfs/dbraw/zinc/25/89/11/632258911.db2.gz XTLCUWQGUXWIFO-ZJIFWQFVSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000817980881 632271913 /nfs/dbraw/zinc/27/19/13/632271913.db2.gz FLXGVFUUKRHMQG-WCQYABFASA-N 2 1 258.475 3.014 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000865804614 632895128 /nfs/dbraw/zinc/89/51/28/632895128.db2.gz CHZSUSPTDMWGJX-CGTJXYLNSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000865804614 632895132 /nfs/dbraw/zinc/89/51/32/632895132.db2.gz CHZSUSPTDMWGJX-CGTJXYLNSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866266127 633052712 /nfs/dbraw/zinc/05/27/12/633052712.db2.gz WXKRCXMEVJOUBS-FUHWJXTLSA-N 2 1 289.467 3.257 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866266127 633052719 /nfs/dbraw/zinc/05/27/19/633052719.db2.gz WXKRCXMEVJOUBS-FUHWJXTLSA-N 2 1 289.467 3.257 20 0 CGADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000823121112 633063242 /nfs/dbraw/zinc/06/32/42/633063242.db2.gz FNNUADBLROZFIN-FKJOKYEKSA-N 2 1 291.266 3.127 20 0 CGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000823121112 633063244 /nfs/dbraw/zinc/06/32/44/633063244.db2.gz FNNUADBLROZFIN-FKJOKYEKSA-N 2 1 291.266 3.127 20 0 CGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000823121112 633063245 /nfs/dbraw/zinc/06/32/45/633063245.db2.gz FNNUADBLROZFIN-FKJOKYEKSA-N 2 1 291.266 3.127 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000866369272 633106410 /nfs/dbraw/zinc/10/64/10/633106410.db2.gz KJXSSGSBYVINCP-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000866373652 633108933 /nfs/dbraw/zinc/10/89/33/633108933.db2.gz OYKWTLXRUVGSRB-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC23CCC3)cn1 ZINC000823677558 633136076 /nfs/dbraw/zinc/13/60/76/633136076.db2.gz XIEJLWBXZZTBDT-MRXNPFEDSA-N 2 1 296.418 3.388 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866595418 633205914 /nfs/dbraw/zinc/20/59/14/633205914.db2.gz OJQKHTJPQRGOLZ-AWEZNQCLSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000866667684 633229677 /nfs/dbraw/zinc/22/96/77/633229677.db2.gz VAFDYYZUOKEINF-QAETUUGQSA-N 2 1 296.499 3.277 20 0 CGADMP CO[C@@H](C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccccc1 ZINC000866706440 633234789 /nfs/dbraw/zinc/23/47/89/633234789.db2.gz BPKJBLMIGPTRPS-WMZOPIPTSA-N 2 1 290.451 3.071 20 0 CGADMP FC(F)C1CC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000827259141 633476445 /nfs/dbraw/zinc/47/64/45/633476445.db2.gz CCYWNJYEFHAKSM-OTTFEQOBSA-N 2 1 272.383 3.027 20 0 CGADMP FC(F)C1CC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000827259141 633476457 /nfs/dbraw/zinc/47/64/57/633476457.db2.gz CCYWNJYEFHAKSM-OTTFEQOBSA-N 2 1 272.383 3.027 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CCC[N@@H+](C)C(C)C ZINC000872021249 633942516 /nfs/dbraw/zinc/94/25/16/633942516.db2.gz PLWJYZKTIPXUJY-LBPRGKRZSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872031810 633950336 /nfs/dbraw/zinc/95/03/36/633950336.db2.gz MXMXWWKKLHISFU-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872031810 633950339 /nfs/dbraw/zinc/95/03/39/633950339.db2.gz MXMXWWKKLHISFU-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])CCc1cccs1 ZINC000846218506 636161144 /nfs/dbraw/zinc/16/11/44/636161144.db2.gz PKYBZHWZFKVPLE-UHFFFAOYSA-N 2 1 254.443 3.132 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1)C1CCCC1 ZINC000872157042 634067785 /nfs/dbraw/zinc/06/77/85/634067785.db2.gz NCYYFRLDUUIHAH-RYQLBKOJSA-N 2 1 294.483 3.175 20 0 CGADMP COc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872251762 634089266 /nfs/dbraw/zinc/08/92/66/634089266.db2.gz MLJNHDWFJPANJN-LBPRGKRZSA-N 2 1 296.842 3.216 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cn1 ZINC000834523606 634175655 /nfs/dbraw/zinc/17/56/55/634175655.db2.gz YKFTZUMIBGXSRS-SFHVURJKSA-N 2 1 296.418 3.244 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@@H]2C=CCC2)s1 ZINC000873153887 634260666 /nfs/dbraw/zinc/26/06/66/634260666.db2.gz KNVUSTWINHVQLQ-CYBMUJFWSA-N 2 1 279.453 3.041 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)[C@H]2CCC[C@H]21 ZINC000834886001 634268024 /nfs/dbraw/zinc/26/80/24/634268024.db2.gz ZEJSAMPJCAMGDC-XQHKEYJVSA-N 2 1 291.266 3.033 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cnc1Cl ZINC000873224063 634291701 /nfs/dbraw/zinc/29/17/01/634291701.db2.gz XCXYRCHKIFOLBD-MRXNPFEDSA-N 2 1 295.858 3.240 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cnc1Cl ZINC000873224063 634291707 /nfs/dbraw/zinc/29/17/07/634291707.db2.gz XCXYRCHKIFOLBD-MRXNPFEDSA-N 2 1 295.858 3.240 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873238413 634297030 /nfs/dbraw/zinc/29/70/30/634297030.db2.gz ZSQTZIYBKIIZCA-GHMZBOCLSA-N 2 1 266.351 3.085 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)nc1 ZINC000840809101 635055457 /nfs/dbraw/zinc/05/54/57/635055457.db2.gz OTRPUKXVXBNYEP-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000840809169 635055959 /nfs/dbraw/zinc/05/59/59/635055959.db2.gz PSWGMSGYHMEBMD-LSDHHAIUSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CCCCCCC2)CC[NH2+]1 ZINC000841008017 635104794 /nfs/dbraw/zinc/10/47/94/635104794.db2.gz XFCMQWXEMUPZGV-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc([NH+](C)C)cc(C)c1NC[C@@H]([NH3+])CC(C)C ZINC000841011975 635106324 /nfs/dbraw/zinc/10/63/24/635106324.db2.gz VVAJDPYFTFIPST-AWEZNQCLSA-N 2 1 263.429 3.155 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CSC3)CC[N@H+]2C2CC2)cc1 ZINC000877633547 635123637 /nfs/dbraw/zinc/12/36/37/635123637.db2.gz APNGRSIDWGOQRE-YOEHRIQHSA-N 2 1 288.460 3.060 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CSC3)CC[N@@H+]2C2CC2)cc1 ZINC000877633547 635123640 /nfs/dbraw/zinc/12/36/40/635123640.db2.gz APNGRSIDWGOQRE-YOEHRIQHSA-N 2 1 288.460 3.060 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CSC3)CC[N@H+]2C2CC2)cc1 ZINC000877633546 635123905 /nfs/dbraw/zinc/12/39/05/635123905.db2.gz APNGRSIDWGOQRE-WMLDXEAASA-N 2 1 288.460 3.060 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CSC3)CC[N@@H+]2C2CC2)cc1 ZINC000877633546 635123910 /nfs/dbraw/zinc/12/39/10/635123910.db2.gz APNGRSIDWGOQRE-WMLDXEAASA-N 2 1 288.460 3.060 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000877742073 635177577 /nfs/dbraw/zinc/17/75/77/635177577.db2.gz OFRFWCOZRCGGRD-UKPHBRMFSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000877742073 635177580 /nfs/dbraw/zinc/17/75/80/635177580.db2.gz OFRFWCOZRCGGRD-UKPHBRMFSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC000877742073 635177584 /nfs/dbraw/zinc/17/75/84/635177584.db2.gz OFRFWCOZRCGGRD-UKPHBRMFSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC000877742073 635177592 /nfs/dbraw/zinc/17/75/92/635177592.db2.gz OFRFWCOZRCGGRD-UKPHBRMFSA-N 2 1 292.854 3.470 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc2cccnc12 ZINC000877743739 635179774 /nfs/dbraw/zinc/17/97/74/635179774.db2.gz YDRGFTQJFUMCII-QZTJIDSGSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc2cccnc12 ZINC000877743739 635179780 /nfs/dbraw/zinc/17/97/80/635179780.db2.gz YDRGFTQJFUMCII-QZTJIDSGSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc2cccnc12 ZINC000877743739 635179784 /nfs/dbraw/zinc/17/97/84/635179784.db2.gz YDRGFTQJFUMCII-QZTJIDSGSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc2cccnc12 ZINC000877743739 635179789 /nfs/dbraw/zinc/17/97/89/635179789.db2.gz YDRGFTQJFUMCII-QZTJIDSGSA-N 2 1 295.430 3.069 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000877743982 635180439 /nfs/dbraw/zinc/18/04/39/635180439.db2.gz ZDDMHGCZBDJFTM-QZTJIDSGSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000877743982 635180443 /nfs/dbraw/zinc/18/04/43/635180443.db2.gz ZDDMHGCZBDJFTM-QZTJIDSGSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000877743982 635180450 /nfs/dbraw/zinc/18/04/50/635180450.db2.gz ZDDMHGCZBDJFTM-QZTJIDSGSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000877743982 635180458 /nfs/dbraw/zinc/18/04/58/635180458.db2.gz ZDDMHGCZBDJFTM-QZTJIDSGSA-N 2 1 270.420 3.090 20 0 CGADMP Cc1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000877767748 635194318 /nfs/dbraw/zinc/19/43/18/635194318.db2.gz VXWWDHXHJPKJDE-UHFFFAOYSA-N 2 1 295.496 3.251 20 0 CGADMP CCSCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794924 635204729 /nfs/dbraw/zinc/20/47/29/635204729.db2.gz WFYPGRKBGSSCPL-UHFFFAOYSA-N 2 1 270.486 3.080 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878033944 635330724 /nfs/dbraw/zinc/33/07/24/635330724.db2.gz CRVMHWFMVHGHPE-INIZCTEOSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@@H](c2ccccc2)O1 ZINC000842471941 635375597 /nfs/dbraw/zinc/37/55/97/635375597.db2.gz IMIUPVKUXYFIQP-AEFFLSMTSA-N 2 1 290.451 3.358 20 0 CGADMP CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000842473243 635378165 /nfs/dbraw/zinc/37/81/65/635378165.db2.gz RZRMNVYEFXTRAI-BBWFWOEESA-N 2 1 296.499 3.421 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000879580262 635815867 /nfs/dbraw/zinc/81/58/67/635815867.db2.gz GKCZNRLPSMFISM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000879580262 635815869 /nfs/dbraw/zinc/81/58/69/635815869.db2.gz GKCZNRLPSMFISM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000879580262 635815872 /nfs/dbraw/zinc/81/58/72/635815872.db2.gz GKCZNRLPSMFISM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000879580262 635815876 /nfs/dbraw/zinc/81/58/76/635815876.db2.gz GKCZNRLPSMFISM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000880473752 636007413 /nfs/dbraw/zinc/00/74/13/636007413.db2.gz NBGQPCHXDSYJBK-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CCC[N@@H+](CCCCCC[NH3+])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000846219849 636162283 /nfs/dbraw/zinc/16/22/83/636162283.db2.gz ZNMZITYFNVVESZ-ARFHVFGLSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCCCC[NH3+] ZINC000846218988 636162432 /nfs/dbraw/zinc/16/24/32/636162432.db2.gz BFPCBEGMZKWPKH-RDJZCZTQSA-N 2 1 260.425 3.384 20 0 CGADMP [NH3+]CCCCCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000846219891 636162588 /nfs/dbraw/zinc/16/25/88/636162588.db2.gz BBUGHGJPVQHBOF-UHFFFAOYSA-N 2 1 295.515 3.094 20 0 CGADMP CCn1c2ccccc2nc1C[N@@H+](C)CCCCCC[NH3+] ZINC000846221483 636163345 /nfs/dbraw/zinc/16/33/45/636163345.db2.gz LAIGSGFBBRTVQM-UHFFFAOYSA-N 2 1 288.439 3.007 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883228382 636599184 /nfs/dbraw/zinc/59/91/84/636599184.db2.gz MATUJLCJJZHOBO-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041868 636728497 /nfs/dbraw/zinc/72/84/97/636728497.db2.gz YORXDIGZHFPEDC-HZPDHXFCSA-N 2 1 296.503 3.047 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000131740900 636745179 /nfs/dbraw/zinc/74/51/79/636745179.db2.gz XFDRRDQXWLPCEO-RYUDHWBXSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000131740900 636745187 /nfs/dbraw/zinc/74/51/87/636745187.db2.gz XFDRRDQXWLPCEO-RYUDHWBXSA-N 2 1 289.810 3.057 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850354967 637024632 /nfs/dbraw/zinc/02/46/32/637024632.db2.gz DYEPLEQQASYGNA-NSHDSACASA-N 2 1 269.458 3.119 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C=CCC1 ZINC000850511648 637097496 /nfs/dbraw/zinc/09/74/96/637097496.db2.gz KJXIGOINNDEGLC-NXHRZFHOSA-N 2 1 270.420 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C=CCC1 ZINC000850511648 637097502 /nfs/dbraw/zinc/09/75/02/637097502.db2.gz KJXIGOINNDEGLC-NXHRZFHOSA-N 2 1 270.420 3.205 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](O)c3ccccc32)CC1 ZINC000850528518 637106792 /nfs/dbraw/zinc/10/67/92/637106792.db2.gz IOVPAGQORKBLMQ-IRXDYDNUSA-N 2 1 288.435 3.017 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCO2 ZINC000850541117 637114936 /nfs/dbraw/zinc/11/49/36/637114936.db2.gz RVXCHMFFHUUKCB-YOEHRIQHSA-N 2 1 288.435 3.147 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2cccs2)CC1 ZINC000109788254 637268780 /nfs/dbraw/zinc/26/87/80/637268780.db2.gz AOTFIMMHDZVTJH-UHFFFAOYSA-N 2 1 266.454 3.097 20 0 CGADMP Cc1coc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000885922853 637312736 /nfs/dbraw/zinc/31/27/36/637312736.db2.gz JPLVXYPLUNXYGP-AWEZNQCLSA-N 2 1 264.413 3.190 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885954166 637329123 /nfs/dbraw/zinc/32/91/23/637329123.db2.gz PQDQYPXHSRXYPY-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP Fc1cccc(/C=C/C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000886102269 637412161 /nfs/dbraw/zinc/41/21/61/637412161.db2.gz CDIASMCTQLKDLW-FNORWQNLSA-N 2 1 288.410 3.445 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886142850 637433496 /nfs/dbraw/zinc/43/34/96/637433496.db2.gz MMHROVCOZDOIHQ-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000851903890 637539288 /nfs/dbraw/zinc/53/92/88/637539288.db2.gz XPWSJRUSSNBENA-QGZVFWFLSA-N 2 1 296.499 3.026 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCCC3CC3)CC2)[nH+]c1C ZINC000886659559 637637359 /nfs/dbraw/zinc/63/73/59/637637359.db2.gz PKNRMRFFNTZNRC-UHFFFAOYSA-N 2 1 261.413 3.396 20 0 CGADMP Cc1noc(C)c1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886661391 637638636 /nfs/dbraw/zinc/63/86/36/637638636.db2.gz UCDYOHBVHDTLFJ-UHFFFAOYSA-N 2 1 288.395 3.011 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886841658 637713809 /nfs/dbraw/zinc/71/38/09/637713809.db2.gz RNASJQKUZCSANI-QAPCUYQASA-N 2 1 294.483 3.033 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)o1 ZINC000853093924 637755131 /nfs/dbraw/zinc/75/51/31/637755131.db2.gz ULLBNHJIPBBNBS-INIZCTEOSA-N 2 1 276.424 3.108 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000853093924 637755136 /nfs/dbraw/zinc/75/51/36/637755136.db2.gz ULLBNHJIPBBNBS-INIZCTEOSA-N 2 1 276.424 3.108 20 0 CGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000854224752 638027210 /nfs/dbraw/zinc/02/72/10/638027210.db2.gz QVVMEXMLWHFTTO-FJIDUMEYSA-N 2 1 288.410 3.049 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000854229435 638028308 /nfs/dbraw/zinc/02/83/08/638028308.db2.gz NPUYGZDALDQZEP-IDCJVQTKSA-N 2 1 288.435 3.065 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC(C)(C)C1 ZINC000106868863 638210230 /nfs/dbraw/zinc/21/02/30/638210230.db2.gz OSJKIPMXQHZNPH-XUWVNRHRSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccnn1CC1CCC1 ZINC000924618317 638376531 /nfs/dbraw/zinc/37/65/31/638376531.db2.gz XNVWQJGLZVFVCM-OAHLLOKOSA-N 2 1 292.471 3.064 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000924618317 638376536 /nfs/dbraw/zinc/37/65/36/638376536.db2.gz XNVWQJGLZVFVCM-OAHLLOKOSA-N 2 1 292.471 3.064 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000924618317 638376546 /nfs/dbraw/zinc/37/65/46/638376546.db2.gz XNVWQJGLZVFVCM-OAHLLOKOSA-N 2 1 292.471 3.064 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CO[C@@H](C)[C@@H]1C ZINC000924655898 638384485 /nfs/dbraw/zinc/38/44/85/638384485.db2.gz FESWMSYJXJDOSS-MPGHIAIKSA-N 2 1 290.451 3.040 20 0 CGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924683192 638388122 /nfs/dbraw/zinc/38/81/22/638388122.db2.gz FVIVRQURKSFQES-XDNAFOTISA-N 2 1 296.499 3.005 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924749018 638397882 /nfs/dbraw/zinc/39/78/82/638397882.db2.gz DQOJYEKFWLPWMM-MTSZKFMLSA-N 2 1 296.499 3.004 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000924751451 638400131 /nfs/dbraw/zinc/40/01/31/638400131.db2.gz KRKQOCDSUGKPMK-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000924751451 638400133 /nfs/dbraw/zinc/40/01/33/638400133.db2.gz KRKQOCDSUGKPMK-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924765279 638401114 /nfs/dbraw/zinc/40/11/14/638401114.db2.gz KRCZJUCQTLFZSX-YZDRTPDPSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924765279 638401118 /nfs/dbraw/zinc/40/11/18/638401118.db2.gz KRCZJUCQTLFZSX-YZDRTPDPSA-N 2 1 282.497 3.123 20 0 CGADMP Cc1csc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925479737 638508647 /nfs/dbraw/zinc/50/86/47/638508647.db2.gz RXMPWYHXGCMIIU-TUAOUCFPSA-N 2 1 267.442 3.008 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925514891 638516341 /nfs/dbraw/zinc/51/63/41/638516341.db2.gz GUIRFRAZVCBRIB-MAZHCROVSA-N 2 1 274.408 3.006 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000925556044 638528698 /nfs/dbraw/zinc/52/86/98/638528698.db2.gz JNTANVRACQIJEE-ZSZQSSIHSA-N 2 1 296.414 3.231 20 0 CGADMP c1ccc(C2CC([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925604352 638544203 /nfs/dbraw/zinc/54/42/03/638544203.db2.gz JUSXMMUYJGJEQT-OFLPRAFFSA-N 2 1 270.420 3.197 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccccc1 ZINC000925660311 638561051 /nfs/dbraw/zinc/56/10/51/638561051.db2.gz KXVZKPMIZUAONX-IFXJQAMLSA-N 2 1 293.414 3.389 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCC(C)(F)F)c1ccccc1 ZINC000925677797 638566910 /nfs/dbraw/zinc/56/69/10/638566910.db2.gz AXDDYQKSUATAIR-YPMHNXCESA-N 2 1 256.340 3.100 20 0 CGADMP Cc1cccnc1CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925683426 638568776 /nfs/dbraw/zinc/56/87/76/638568776.db2.gz QFYDWYXGEYLKBL-CRAIPNDOSA-N 2 1 283.419 3.001 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1 ZINC000925686490 638568799 /nfs/dbraw/zinc/56/87/99/638568799.db2.gz VCSBHGWLQYJASQ-FZMZJTMJSA-N 2 1 268.351 3.100 20 0 CGADMP FC(F)(F)C1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCCC1 ZINC000925718839 638579216 /nfs/dbraw/zinc/57/92/16/638579216.db2.gz NMMLPOLXDRMNLK-GFCCVEGCSA-N 2 1 290.373 3.373 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000925757664 638599577 /nfs/dbraw/zinc/59/95/77/638599577.db2.gz VNLUOKQXDHZKAR-CYBMUJFWSA-N 2 1 293.430 3.156 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000925756646 638599884 /nfs/dbraw/zinc/59/98/84/638599884.db2.gz NXAWHOQQZDIFMP-OAHLLOKOSA-N 2 1 298.434 3.137 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1F ZINC000925782450 638611812 /nfs/dbraw/zinc/61/18/12/638611812.db2.gz LSQNZCUXSIQCTL-FZMZJTMJSA-N 2 1 286.341 3.111 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1coc2ccccc12 ZINC000925808564 638619290 /nfs/dbraw/zinc/61/92/90/638619290.db2.gz YVNPYOKTEFJBJY-CHWSQXEVSA-N 2 1 281.359 3.295 20 0 CGADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925832321 638626173 /nfs/dbraw/zinc/62/61/73/638626173.db2.gz OAQXHVZMNUFWMZ-BYNSBNAKSA-N 2 1 298.352 3.268 20 0 CGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2ccccc2n1 ZINC000925843020 638629470 /nfs/dbraw/zinc/62/94/70/638629470.db2.gz MCHWQEYGAVDZHP-GDIGMMSISA-N 2 1 295.430 3.418 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)CC1(C)C ZINC000858183374 638651020 /nfs/dbraw/zinc/65/10/20/638651020.db2.gz CYXCAEIVWKPDIS-NWDGAFQWSA-N 2 1 293.282 3.423 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC23CCCCC3)CC1(C)C ZINC000858193285 638655668 /nfs/dbraw/zinc/65/56/68/638655668.db2.gz BIOAQPJZPUOPFC-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc[nH+]c(CO)c1 ZINC000858352292 638689855 /nfs/dbraw/zinc/68/98/55/638689855.db2.gz XXAVVEDKVLAUQM-UHFFFAOYSA-N 2 1 299.418 3.026 20 0 CGADMP CSC1CC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000926118738 638711115 /nfs/dbraw/zinc/71/11/15/638711115.db2.gz BSURXEZMSHBUEX-NNNQGMHWSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000926128858 638715507 /nfs/dbraw/zinc/71/55/07/638715507.db2.gz WSQGEXZNJRIUNW-CQSZACIVSA-N 2 1 293.430 3.382 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490592 638741410 /nfs/dbraw/zinc/74/14/10/638741410.db2.gz KCKVANQBDWEMLT-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP C[N@@H+](CCCC(C)(F)F)CC[C@H]1CCCC[NH+]1C ZINC000929721520 638944631 /nfs/dbraw/zinc/94/46/31/638944631.db2.gz BRVPRLCEWWVZRF-CYBMUJFWSA-N 2 1 262.388 3.228 20 0 CGADMP C[NH+](CCCC(C)(F)F)CC[C@H]1CCCC[N@@H+]1C ZINC000929721520 638944634 /nfs/dbraw/zinc/94/46/34/638944634.db2.gz BRVPRLCEWWVZRF-CYBMUJFWSA-N 2 1 262.388 3.228 20 0 CGADMP C[NH+](CCCC(C)(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000929721520 638944637 /nfs/dbraw/zinc/94/46/37/638944637.db2.gz BRVPRLCEWWVZRF-CYBMUJFWSA-N 2 1 262.388 3.228 20 0 CGADMP CC(F)(F)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929719006 638945006 /nfs/dbraw/zinc/94/50/06/638945006.db2.gz LLEAKCBQKQXYQB-AWEZNQCLSA-N 2 1 274.399 3.230 20 0 CGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cccc(F)c2)C1 ZINC000929762365 638948683 /nfs/dbraw/zinc/94/86/83/638948683.db2.gz FSLCIEYCUPMNDY-KRWDZBQOSA-N 2 1 290.426 3.032 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cccc(F)c2)C1 ZINC000929762365 638948685 /nfs/dbraw/zinc/94/86/85/638948685.db2.gz FSLCIEYCUPMNDY-KRWDZBQOSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000929762365 638948688 /nfs/dbraw/zinc/94/86/88/638948688.db2.gz FSLCIEYCUPMNDY-KRWDZBQOSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000929762365 638948689 /nfs/dbraw/zinc/94/86/89/638948689.db2.gz FSLCIEYCUPMNDY-KRWDZBQOSA-N 2 1 290.426 3.032 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929777770 638949525 /nfs/dbraw/zinc/94/95/25/638949525.db2.gz COAJNQRFCHQWKL-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929777770 638949528 /nfs/dbraw/zinc/94/95/28/638949528.db2.gz COAJNQRFCHQWKL-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929777770 638949531 /nfs/dbraw/zinc/94/95/31/638949531.db2.gz COAJNQRFCHQWKL-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779657 638950485 /nfs/dbraw/zinc/95/04/85/638950485.db2.gz GYIXLVOWKCZNHH-WBVHZDCISA-N 2 1 275.440 3.003 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1CF ZINC000930310571 638990187 /nfs/dbraw/zinc/99/01/87/638990187.db2.gz IZRSCANDUDTLHG-UHFFFAOYSA-N 2 1 264.388 3.074 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1CF ZINC000930310571 638990189 /nfs/dbraw/zinc/99/01/89/638990189.db2.gz IZRSCANDUDTLHG-UHFFFAOYSA-N 2 1 264.388 3.074 20 0 CGADMP CCSc1ccccc1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931545447 639167428 /nfs/dbraw/zinc/16/74/28/639167428.db2.gz DWOMEPDXANFDMQ-ZBFHGGJFSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000931545447 639167432 /nfs/dbraw/zinc/16/74/32/639167432.db2.gz DWOMEPDXANFDMQ-ZBFHGGJFSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000931545447 639167436 /nfs/dbraw/zinc/16/74/36/639167436.db2.gz DWOMEPDXANFDMQ-ZBFHGGJFSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931545447 639167439 /nfs/dbraw/zinc/16/74/39/639167439.db2.gz DWOMEPDXANFDMQ-ZBFHGGJFSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931545447 639167442 /nfs/dbraw/zinc/16/74/42/639167442.db2.gz DWOMEPDXANFDMQ-ZBFHGGJFSA-N 2 1 290.476 3.325 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000931749431 639200374 /nfs/dbraw/zinc/20/03/74/639200374.db2.gz TWBWBVNAJOQABB-HIFRSBDPSA-N 2 1 261.413 3.252 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3cc(C)cc(C)n3)CC2)[nH+]c1C ZINC000931747592 639200544 /nfs/dbraw/zinc/20/05/44/639200544.db2.gz AHTDDDBCTNJUNR-UHFFFAOYSA-N 2 1 298.434 3.418 20 0 CGADMP CC[N@@H+](C/C=C/Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000859994891 639264550 /nfs/dbraw/zinc/26/45/50/639264550.db2.gz GWVFXAZGHBPDOA-BJMVGYQFSA-N 2 1 266.816 3.323 20 0 CGADMP CCC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000190280369 640237773 /nfs/dbraw/zinc/23/77/73/640237773.db2.gz SQKGAEWHZAQPQY-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP COc1ccccc1C[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000088204339 640615299 /nfs/dbraw/zinc/61/52/99/640615299.db2.gz KLAJVTLXHBWDKW-HNNXBMFYSA-N 2 1 278.440 3.077 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091843912 640723338 /nfs/dbraw/zinc/72/33/38/640723338.db2.gz XOJWJTURACIAAH-UHFFFAOYSA-N 2 1 276.424 3.177 20 0 CGADMP c1ccc([C@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000250797749 640816752 /nfs/dbraw/zinc/81/67/52/640816752.db2.gz BXWYRCBABLGNEX-SCDLOJPASA-N 2 1 284.447 3.397 20 0 CGADMP CC[C@H]1CC[C@H](C)[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251742612 640831622 /nfs/dbraw/zinc/83/16/22/640831622.db2.gz UABXBROCDKJKTJ-IXIBIKRGSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251742617 640831822 /nfs/dbraw/zinc/83/18/22/640831822.db2.gz UABXBROCDKJKTJ-MOTUXRJWSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CC[C@@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251936648 640835996 /nfs/dbraw/zinc/83/59/96/640835996.db2.gz VTAZZRWNGJWPDD-YZDRTPDPSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000252431394 640845149 /nfs/dbraw/zinc/84/51/49/640845149.db2.gz IKWSLUFYBODTAR-KFWWJZLASA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000415141710 640859213 /nfs/dbraw/zinc/85/92/13/640859213.db2.gz PVMGDGFALPDUPM-BZUAXINKSA-N 2 1 250.430 3.031 20 0 CGADMP CC[NH+](CC)C1CCN(c2[nH+]cc(C)cc2C)CC1 ZINC001165053487 722002975 /nfs/dbraw/zinc/00/29/75/722002975.db2.gz NSJAWCHGUQIZIA-UHFFFAOYSA-N 2 1 261.413 3.009 20 0 CGADMP CSc1ccnc(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001156925208 805752563 /nfs/dbraw/zinc/75/25/63/805752563.db2.gz FTVGBLKPGPXJPM-CYBMUJFWSA-N 2 1 279.453 3.480 20 0 CGADMP CC(C)(C)CN(c1ccc2c([nH+]1)CCC2)C1CC[NH2+]CC1 ZINC001157883721 805895086 /nfs/dbraw/zinc/89/50/86/805895086.db2.gz BLEIJLHZVICWOP-UHFFFAOYSA-N 2 1 287.451 3.175 20 0 CGADMP CC(C)([NH3+])c1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001159106881 806042338 /nfs/dbraw/zinc/04/23/38/806042338.db2.gz IZSYVNVXEJUSFJ-UHFFFAOYSA-N 2 1 295.308 3.460 20 0 CGADMP Cc1[nH+]c2ccccn2c1Nc1cccc2c1CC[NH2+]C2 ZINC001159204366 806058769 /nfs/dbraw/zinc/05/87/69/806058769.db2.gz XJCHXMHRGDYNET-UHFFFAOYSA-N 2 1 278.359 3.032 20 0 CGADMP CC[NH+](CC)c1ccc(NC=C2CC[NH2+]CC2)cc1 ZINC001159426791 806099730 /nfs/dbraw/zinc/09/97/30/806099730.db2.gz LRIKXXULKZQXLS-UHFFFAOYSA-N 2 1 259.397 3.212 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC001253095763 806166051 /nfs/dbraw/zinc/16/60/51/806166051.db2.gz MGPZTBYRYBFVCW-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCO3)C1 ZINC001253096805 806166115 /nfs/dbraw/zinc/16/61/15/806166115.db2.gz WKJXMXCZCRCMRX-CABCVRRESA-N 2 1 288.435 3.004 20 0 CGADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC001253192640 806181283 /nfs/dbraw/zinc/18/12/83/806181283.db2.gz VWBYWPRXIQQYMN-FUHWJXTLSA-N 2 1 292.467 3.161 20 0 CGADMP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ccc2c([nH+]1)CCC2 ZINC001160662157 806292476 /nfs/dbraw/zinc/29/24/76/806292476.db2.gz PPKQJBOAOAQEMQ-HNNXBMFYSA-N 2 1 295.430 3.172 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@H](C)C1 ZINC001254439717 806398665 /nfs/dbraw/zinc/39/86/65/806398665.db2.gz HGKVLHSKQOGEBX-ZBFHGGJFSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCCOc2cccc(Cl)c2)CC1 ZINC001254500629 806421105 /nfs/dbraw/zinc/42/11/05/806421105.db2.gz WYFWZAGMVYMTEE-HNNXBMFYSA-N 2 1 296.842 3.183 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC001254502876 806422425 /nfs/dbraw/zinc/42/24/25/806422425.db2.gz JLFQSEGROIPIDP-LJQANCHMSA-N 2 1 282.431 3.456 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC001254502875 806423461 /nfs/dbraw/zinc/42/34/61/806423461.db2.gz JLFQSEGROIPIDP-IBGZPJMESA-N 2 1 282.431 3.456 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001254505258 806424972 /nfs/dbraw/zinc/42/49/72/806424972.db2.gz DPEYGPWYZKICPY-WBMJQRKESA-N 2 1 280.362 3.026 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)c2ccccc21 ZINC001254505217 806425632 /nfs/dbraw/zinc/42/56/32/806425632.db2.gz CKQRRYGSRJCQID-CKEIUWERSA-N 2 1 258.409 3.309 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC1 ZINC001254505458 806425714 /nfs/dbraw/zinc/42/57/14/806425714.db2.gz GIYGYZHRGLMZCR-OAHLLOKOSA-N 2 1 282.378 3.274 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001254508467 806428489 /nfs/dbraw/zinc/42/84/89/806428489.db2.gz JFZJPLULLITLHW-MRXNPFEDSA-N 2 1 290.451 3.438 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001254511101 806430268 /nfs/dbraw/zinc/43/02/68/806430268.db2.gz VHCMLWZBVNDTCX-JKSUJKDBSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CC1 ZINC001254513060 806432556 /nfs/dbraw/zinc/43/25/56/806432556.db2.gz WKEMNWGRHOITTB-KRWDZBQOSA-N 2 1 290.426 3.222 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(F)c(F)c1 ZINC001254512983 806433311 /nfs/dbraw/zinc/43/33/11/806433311.db2.gz ULYJKVHVFBHBNI-XJKSGUPXSA-N 2 1 282.378 3.490 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001254515750 806436490 /nfs/dbraw/zinc/43/64/90/806436490.db2.gz CDROBQRHMZGSRQ-IBGZPJMESA-N 2 1 286.463 3.425 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001254515751 806436502 /nfs/dbraw/zinc/43/65/02/806436502.db2.gz CDROBQRHMZGSRQ-LJQANCHMSA-N 2 1 286.463 3.425 20 0 CGADMP COc1cccc(CCC[N@@H+](C)[C@H]2CCC[NH+](C)CC2)c1 ZINC001254529882 806441464 /nfs/dbraw/zinc/44/14/64/806441464.db2.gz SJNNMISADOSZNW-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254529882 806441472 /nfs/dbraw/zinc/44/14/72/806441472.db2.gz SJNNMISADOSZNW-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254529882 806441478 /nfs/dbraw/zinc/44/14/78/806441478.db2.gz SJNNMISADOSZNW-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001254526797 806443181 /nfs/dbraw/zinc/44/31/81/806443181.db2.gz URQYEYRHOGNRLY-HRCADAONSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001254526797 806443196 /nfs/dbraw/zinc/44/31/96/806443196.db2.gz URQYEYRHOGNRLY-HRCADAONSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001254526797 806443199 /nfs/dbraw/zinc/44/31/99/806443199.db2.gz URQYEYRHOGNRLY-HRCADAONSA-N 2 1 250.430 3.125 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254528849 806443239 /nfs/dbraw/zinc/44/32/39/806443239.db2.gz IQHFFUXEIABFHR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254528849 806443243 /nfs/dbraw/zinc/44/32/43/806443243.db2.gz IQHFFUXEIABFHR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254528849 806443250 /nfs/dbraw/zinc/44/32/50/806443250.db2.gz IQHFFUXEIABFHR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2cc(F)ccc21 ZINC001162453349 806587527 /nfs/dbraw/zinc/58/75/27/806587527.db2.gz JRTNDBHWHGLWDJ-GXTWGEPZSA-N 2 1 287.382 3.422 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(C2CC2)c[nH+]1 ZINC001162468540 806592799 /nfs/dbraw/zinc/59/27/99/806592799.db2.gz ZPSSRTVBMKCYJK-GXTWGEPZSA-N 2 1 259.397 3.007 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCSCC3)CC2)cc1 ZINC001255399893 806631921 /nfs/dbraw/zinc/63/19/21/806631921.db2.gz BMBPPJCVUCVZNM-KRWDZBQOSA-N 2 1 290.476 3.090 20 0 CGADMP F[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399403 806632423 /nfs/dbraw/zinc/63/24/23/806632423.db2.gz RHRXZNMZFFBMQW-IAGOWNOFSA-N 2 1 276.399 3.085 20 0 CGADMP F[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399403 806632428 /nfs/dbraw/zinc/63/24/28/806632428.db2.gz RHRXZNMZFFBMQW-IAGOWNOFSA-N 2 1 276.399 3.085 20 0 CGADMP F[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399403 806632435 /nfs/dbraw/zinc/63/24/35/806632435.db2.gz RHRXZNMZFFBMQW-IAGOWNOFSA-N 2 1 276.399 3.085 20 0 CGADMP F[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399403 806632437 /nfs/dbraw/zinc/63/24/37/806632437.db2.gz RHRXZNMZFFBMQW-IAGOWNOFSA-N 2 1 276.399 3.085 20 0 CGADMP COC1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001255458254 806644839 /nfs/dbraw/zinc/64/48/39/806644839.db2.gz KAXYNBJWIVSXFV-WWDZGPRUSA-N 2 1 294.483 3.284 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(F)(F)F)[C@H](C)C1 ZINC001255646658 806693382 /nfs/dbraw/zinc/69/33/82/806693382.db2.gz REGQDJXSXJPTCG-IJLUTSLNSA-N 2 1 266.351 3.036 20 0 CGADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+]C1CCCCCCC1 ZINC000036996501 798855623 /nfs/dbraw/zinc/85/56/23/798855623.db2.gz BIHQGZWVNKITEY-HZPDHXFCSA-N 2 1 250.430 3.316 20 0 CGADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+]C1CCCCCCC1 ZINC000036996501 798855627 /nfs/dbraw/zinc/85/56/27/798855627.db2.gz BIHQGZWVNKITEY-HZPDHXFCSA-N 2 1 250.430 3.316 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000037643896 798871205 /nfs/dbraw/zinc/87/12/05/798871205.db2.gz OIISBIQOWZUXTL-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP CCCC(C[NH3+])(CCC)Nc1nc(C)[nH+]c(C)c1C ZINC001163040972 806696708 /nfs/dbraw/zinc/69/67/08/806696708.db2.gz XPEMCHJLANOXRJ-UHFFFAOYSA-N 2 1 264.417 3.111 20 0 CGADMP COC1CCC(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255671274 806701292 /nfs/dbraw/zinc/70/12/92/806701292.db2.gz HPBJPCDYVYMTLH-DDEIOVDASA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255684886 806705641 /nfs/dbraw/zinc/70/56/41/806705641.db2.gz VNURUXNKRLHUSU-QXULXFAOSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684886 806705647 /nfs/dbraw/zinc/70/56/47/806705647.db2.gz VNURUXNKRLHUSU-QXULXFAOSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684886 806705649 /nfs/dbraw/zinc/70/56/49/806705649.db2.gz VNURUXNKRLHUSU-QXULXFAOSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255684886 806705655 /nfs/dbraw/zinc/70/56/55/806705655.db2.gz VNURUXNKRLHUSU-QXULXFAOSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255684886 806705662 /nfs/dbraw/zinc/70/56/62/806705662.db2.gz VNURUXNKRLHUSU-QXULXFAOSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001255727454 806721752 /nfs/dbraw/zinc/72/17/52/806721752.db2.gz DZGQQDBIXQGTSZ-HIFRSBDPSA-N 2 1 296.455 3.380 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000309544136 799218950 /nfs/dbraw/zinc/21/89/50/799218950.db2.gz NUIZRHLNULIJKT-INIZCTEOSA-N 2 1 298.430 3.465 20 0 CGADMP Cc1ccc(SC[C@H](C)n2cc[nH+]c2CCC[NH3+])cc1 ZINC001255761385 806738886 /nfs/dbraw/zinc/73/88/86/806738886.db2.gz PDKQRMZDCGJJEG-AWEZNQCLSA-N 2 1 289.448 3.436 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000380501497 799364037 /nfs/dbraw/zinc/36/40/37/799364037.db2.gz NWHSLQRBQAZYRD-NSHDSACASA-N 2 1 286.404 3.152 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001255774961 806745486 /nfs/dbraw/zinc/74/54/86/806745486.db2.gz PTRLPYJKIRMZPF-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC000382202894 799394178 /nfs/dbraw/zinc/39/41/78/799394178.db2.gz MREUVGURVAWEHD-MRXNPFEDSA-N 2 1 260.425 3.371 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC001255776203 806745941 /nfs/dbraw/zinc/74/59/41/806745941.db2.gz GQHJTUJGLQLAGE-OOHWJJMZSA-N 2 1 260.425 3.128 20 0 CGADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000385438248 799426423 /nfs/dbraw/zinc/42/64/23/799426423.db2.gz PICPGVSBHFDOGW-WBVHZDCISA-N 2 1 272.436 3.287 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000386349786 799435649 /nfs/dbraw/zinc/43/56/49/799435649.db2.gz MXOOKEWWCSRQIE-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)ccc2c1 ZINC000387250881 799444015 /nfs/dbraw/zinc/44/40/15/799444015.db2.gz LYLMKVFEEFGCSW-ZBFHGGJFSA-N 2 1 298.430 3.408 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]ccc3[nH]ccc32)[C@H](C)C1 ZINC001163362943 806747739 /nfs/dbraw/zinc/74/77/39/806747739.db2.gz OTLCKTVFCHPODL-TZMCWYRMSA-N 2 1 272.396 3.094 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc1C ZINC001163369892 806751491 /nfs/dbraw/zinc/75/14/91/806751491.db2.gz IGJALBHZMAWMBY-LSDHHAIUSA-N 2 1 261.413 3.229 20 0 CGADMP CC[C@@]1(C)CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000399372864 799537630 /nfs/dbraw/zinc/53/76/30/799537630.db2.gz WBIUFCWIBGBWIT-UYTSQGDYSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001255797126 806756284 /nfs/dbraw/zinc/75/62/84/806756284.db2.gz NLYZQTNUFNAVRJ-KRWDZBQOSA-N 2 1 286.463 3.344 20 0 CGADMP C[C@@]1([NH3+])CC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC000405842023 799587079 /nfs/dbraw/zinc/58/70/79/799587079.db2.gz IWUKFVVAKMWCHX-YYUOFMGYSA-N 2 1 262.441 3.016 20 0 CGADMP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CCC1 ZINC000687969670 799743569 /nfs/dbraw/zinc/74/35/69/799743569.db2.gz VQSSEUAUKFTJBF-UHFFFAOYSA-N 2 1 264.438 3.016 20 0 CGADMP c1csc(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000692872307 799802457 /nfs/dbraw/zinc/80/24/57/799802457.db2.gz JHJMBNJVHGLOQM-HNNXBMFYSA-N 2 1 278.465 3.002 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000693534117 799811577 /nfs/dbraw/zinc/81/15/77/799811577.db2.gz MLHCXNUGNDABSB-MJGOQNOKSA-N 2 1 284.447 3.431 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)s1 ZINC000693966470 799817379 /nfs/dbraw/zinc/81/73/79/799817379.db2.gz OYGIOWINPMGANE-UHFFFAOYSA-N 2 1 292.473 3.396 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC000693928114 799818354 /nfs/dbraw/zinc/81/83/54/799818354.db2.gz ZMTWUUXZKMCNPD-GOEBONIOSA-N 2 1 276.424 3.220 20 0 CGADMP CC(C)C[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699235644 799858538 /nfs/dbraw/zinc/85/85/38/799858538.db2.gz UPPDDJBQDPXGTK-WTXIUTQJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000705220168 799945347 /nfs/dbraw/zinc/94/53/47/799945347.db2.gz XNZVSGDJSNMUCQ-BPQIPLTHSA-N 2 1 272.436 3.144 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(OC)c(F)c1 ZINC001255945589 806792972 /nfs/dbraw/zinc/79/29/72/806792972.db2.gz HAWJOBAWIOYHCO-CYBMUJFWSA-N 2 1 282.403 3.044 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](CC)CC)c1cccnc1 ZINC001255947950 806793937 /nfs/dbraw/zinc/79/39/37/806793937.db2.gz ZMZHVBNKYZWCBV-GOEBONIOSA-N 2 1 263.429 3.243 20 0 CGADMP CC1(C[N@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000708850451 799996504 /nfs/dbraw/zinc/99/65/04/799996504.db2.gz PINZKFNEYMKWIW-INIZCTEOSA-N 2 1 264.457 3.278 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(F)cc(OC)c1 ZINC001255951169 806794891 /nfs/dbraw/zinc/79/48/91/806794891.db2.gz NMGVZZYMXUTECT-CYBMUJFWSA-N 2 1 282.403 3.044 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952249 806795739 /nfs/dbraw/zinc/79/57/39/806795739.db2.gz DPMGCWRMZNFZJY-ULQDDVLXSA-N 3 1 283.504 3.087 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000709828617 800020322 /nfs/dbraw/zinc/02/03/22/800020322.db2.gz PGUHMBSNPZJQNZ-JCYILVPMSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709992908 800026477 /nfs/dbraw/zinc/02/64/77/800026477.db2.gz RELJTSCJGWJTHV-PBHICJAKSA-N 2 1 292.854 3.347 20 0 CGADMP COc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1Cl ZINC000710831528 800040064 /nfs/dbraw/zinc/04/00/64/800040064.db2.gz WQRGQIWMPIGAKF-UHFFFAOYSA-N 2 1 284.831 3.300 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001255955768 806798851 /nfs/dbraw/zinc/79/88/51/806798851.db2.gz DKOYDQWOZYXBBB-ZIAGYGMSSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001255965281 806801259 /nfs/dbraw/zinc/80/12/59/806801259.db2.gz ZJFVOTPHLSOOEO-DLBZAZTESA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001255965281 806801264 /nfs/dbraw/zinc/80/12/64/806801264.db2.gz ZJFVOTPHLSOOEO-DLBZAZTESA-N 2 1 289.467 3.381 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1C(F)(F)F ZINC000712568893 800094080 /nfs/dbraw/zinc/09/40/80/800094080.db2.gz HOQMWHJEMMNDDM-VIFPVBQESA-N 2 1 294.748 3.446 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCc1ccccc1OC ZINC001255963847 806803078 /nfs/dbraw/zinc/80/30/78/806803078.db2.gz LNQGENKEYGUZNO-MRXNPFEDSA-N 2 1 292.467 3.290 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001255973314 806804457 /nfs/dbraw/zinc/80/44/57/806804457.db2.gz XXROJWQKBLIRTQ-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001255973314 806804466 /nfs/dbraw/zinc/80/44/66/806804466.db2.gz XXROJWQKBLIRTQ-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP FC(F)c1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066863 806808935 /nfs/dbraw/zinc/80/89/35/806808935.db2.gz VBABRGGETKVKEY-UHFFFAOYSA-N 2 1 280.362 3.341 20 0 CGADMP CC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716717159 800178707 /nfs/dbraw/zinc/17/87/07/800178707.db2.gz IUJIGYJCZRAXGC-OHVWCFSRSA-N 2 1 284.447 3.428 20 0 CGADMP C/C=C/C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716691639 800178722 /nfs/dbraw/zinc/17/87/22/800178722.db2.gz IRUTYWDVODMNPL-PVQYNPGXSA-N 2 1 270.420 3.205 20 0 CGADMP CC(C)(Cc1cccc(F)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071761 806811566 /nfs/dbraw/zinc/81/15/66/806811566.db2.gz NXKVBQZJYRJUFM-UHFFFAOYSA-N 2 1 290.426 3.363 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000718636850 800218070 /nfs/dbraw/zinc/21/80/70/800218070.db2.gz YMPBTHCLIIURSF-CQSZACIVSA-N 2 1 274.399 3.133 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCCC2)C[C@H]1C(F)(F)F ZINC000720890928 800271001 /nfs/dbraw/zinc/27/10/01/800271001.db2.gz XQPXABVUUSJMDD-UONOGXRCSA-N 2 1 292.389 3.416 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722108893 800308769 /nfs/dbraw/zinc/30/87/69/800308769.db2.gz PQMRVDKNEBTTMQ-UHFFFAOYSA-N 2 1 298.217 3.331 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256110188 806823615 /nfs/dbraw/zinc/82/36/15/806823615.db2.gz WWRCZNQEESYMMS-HYVNUMGLSA-N 2 1 260.425 3.239 20 0 CGADMP CCc1ccc(NCc2cccnc2C2CC[NH2+]CC2)[nH+]c1 ZINC001163912150 806848710 /nfs/dbraw/zinc/84/87/10/806848710.db2.gz QXPOVNWAFIQAOL-UHFFFAOYSA-N 2 1 296.418 3.118 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(C)(c3ccccc3)CC2)CC1 ZINC001256209650 806849644 /nfs/dbraw/zinc/84/96/44/806849644.db2.gz QSKTVQNKBSNXRZ-UHFFFAOYSA-N 2 1 272.436 3.134 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001256358206 806865911 /nfs/dbraw/zinc/86/59/11/806865911.db2.gz DKSKHXZLGPFIAM-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001256358206 806865917 /nfs/dbraw/zinc/86/59/17/806865917.db2.gz DKSKHXZLGPFIAM-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001256368242 806871135 /nfs/dbraw/zinc/87/11/35/806871135.db2.gz BNEDNNKECCDFCZ-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc(C)c1C ZINC001164210359 806916238 /nfs/dbraw/zinc/91/62/38/806916238.db2.gz BWVSGSYRCWGTQO-UHFFFAOYSA-N 2 1 289.467 3.050 20 0 CGADMP COc1ccc2cc[nH+]c(N3CCC[C@@](C)(C[NH3+])CC3)c2c1 ZINC001164249046 806922591 /nfs/dbraw/zinc/92/25/91/806922591.db2.gz UPTAGVJVBSXARF-GOSISDBHSA-N 2 1 299.418 3.199 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC001116488386 802362964 /nfs/dbraw/zinc/36/29/64/802362964.db2.gz RBIUTRYEXMLUSK-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C1CC1 ZINC001275413608 808935488 /nfs/dbraw/zinc/93/54/88/808935488.db2.gz LEQNEIWZBYORQC-ALOPSCKCSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCC(F)(F)F)C1 ZINC001119940908 802710816 /nfs/dbraw/zinc/71/08/16/802710816.db2.gz PVVSAVHJDXQIGQ-GFCCVEGCSA-N 2 1 280.378 3.429 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCC(F)(F)F)C1 ZINC001119940908 802710821 /nfs/dbraw/zinc/71/08/21/802710821.db2.gz PVVSAVHJDXQIGQ-GFCCVEGCSA-N 2 1 280.378 3.429 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]2C1 ZINC001119988969 802721514 /nfs/dbraw/zinc/72/15/14/802721514.db2.gz MMAOCYYYJKGCNF-BFHYXJOUSA-N 2 1 294.389 3.127 20 0 CGADMP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC001120020220 802725498 /nfs/dbraw/zinc/72/54/98/802725498.db2.gz LDEYFINMJOBEGT-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC001120020220 802725501 /nfs/dbraw/zinc/72/55/01/802725501.db2.gz LDEYFINMJOBEGT-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP CCn1c2ccc(C)cc2[nH+]c1NCC1CC[NH+](C)CC1 ZINC001184462322 810200960 /nfs/dbraw/zinc/20/09/60/810200960.db2.gz KGAJSDGLZMGKGY-UHFFFAOYSA-N 2 1 286.423 3.118 20 0 CGADMP C[C@@H](CCCC(C)(C)O)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256902414 807004958 /nfs/dbraw/zinc/00/49/58/807004958.db2.gz UIENUXOTVQMUBD-HOTGVXAUSA-N 2 1 296.499 3.313 20 0 CGADMP C[C@@H](CCCC(C)(C)O)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256902414 807004965 /nfs/dbraw/zinc/00/49/65/807004965.db2.gz UIENUXOTVQMUBD-HOTGVXAUSA-N 2 1 296.499 3.313 20 0 CGADMP [NH3+]Cc1ccc2nn([C@H]3CCC[N@H+](C4CCCC4)C3)cc2c1 ZINC001256901614 807005025 /nfs/dbraw/zinc/00/50/25/807005025.db2.gz ZFNIFVGLENDVKV-KRWDZBQOSA-N 2 1 298.434 3.075 20 0 CGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280539 812929062 /nfs/dbraw/zinc/92/90/62/812929062.db2.gz BUWDVAAAUCHGHW-GOSISDBHSA-N 2 1 299.418 3.353 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)s1 ZINC001205280901 812929147 /nfs/dbraw/zinc/92/91/47/812929147.db2.gz LKGFYLOVMCUXAI-AWEZNQCLSA-N 2 1 252.427 3.014 20 0 CGADMP Cc1cc(F)cc(C)c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001243917533 803074281 /nfs/dbraw/zinc/07/42/81/803074281.db2.gz NZRRPDQCDCTSPX-UHFFFAOYSA-N 2 1 295.361 3.444 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(F)c1 ZINC001206808785 813442880 /nfs/dbraw/zinc/44/28/80/813442880.db2.gz KMCWGABSKYVATN-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(F)c1 ZINC001206808785 813442882 /nfs/dbraw/zinc/44/28/82/813442882.db2.gz KMCWGABSKYVATN-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206810869 813442906 /nfs/dbraw/zinc/44/29/06/813442906.db2.gz QGJFQASSTFFQDI-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206810869 813442910 /nfs/dbraw/zinc/44/29/10/813442910.db2.gz QGJFQASSTFFQDI-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)CCCC1 ZINC001208183705 813735438 /nfs/dbraw/zinc/73/54/38/813735438.db2.gz FHSSJVNQNOKUAF-JKSUJKDBSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC001136967784 803664213 /nfs/dbraw/zinc/66/42/13/803664213.db2.gz RPSSVHIBNOHINU-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Cc1ccc2c(C[N@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC001136967784 803664215 /nfs/dbraw/zinc/66/42/15/803664215.db2.gz RPSSVHIBNOHINU-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccncc2C[NH3+])nc1 ZINC001245556716 803812181 /nfs/dbraw/zinc/81/21/81/803812181.db2.gz CJESYKQKVZASBC-SFHVURJKSA-N 2 1 296.418 3.149 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001138772356 804035964 /nfs/dbraw/zinc/03/59/64/804035964.db2.gz HGBIPDWTIXBJIO-HOTGVXAUSA-N 2 1 290.451 3.247 20 0 CGADMP CCCCC[C@@H](O)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246031287 804103137 /nfs/dbraw/zinc/10/31/37/804103137.db2.gz POFFSSATFIPWDL-QZTJIDSGSA-N 2 1 296.499 3.173 20 0 CGADMP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246072024 804110214 /nfs/dbraw/zinc/11/02/14/804110214.db2.gz OEEQRYXOSIEWBS-RBUKOAKNSA-N 2 1 298.405 3.279 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccccc2OC)CC[NH2+]1 ZINC001246073068 804111077 /nfs/dbraw/zinc/11/10/77/804111077.db2.gz SMMWPLCRVALGAV-JKSUJKDBSA-N 2 1 276.424 3.096 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246073464 804112542 /nfs/dbraw/zinc/11/25/42/804112542.db2.gz YMUIDMYVGRHQHT-MAUKXSAKSA-N 2 1 280.415 3.159 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246074439 804112698 /nfs/dbraw/zinc/11/26/98/804112698.db2.gz DTCQYIRQWFTLQG-SMDDNHRTSA-N 2 1 264.800 3.059 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)C[NH2+]1 ZINC001246079060 804115395 /nfs/dbraw/zinc/11/53/95/804115395.db2.gz IZZUHSQEPBDQEG-PPWQZUPISA-N 2 1 252.446 3.321 20 0 CGADMP C[C@@]1([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]C1 ZINC001246096202 804128169 /nfs/dbraw/zinc/12/81/69/804128169.db2.gz IUNQKGYCHOEIHT-IUODEOHRSA-N 2 1 299.245 3.192 20 0 CGADMP C[C@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246100454 804133404 /nfs/dbraw/zinc/13/34/04/804133404.db2.gz DHZHBAHJKMRUOZ-DDHOLCJHSA-N 2 1 299.245 3.191 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246112068 804143358 /nfs/dbraw/zinc/14/33/58/804143358.db2.gz KKPXAGPKMVPAQL-CJNGLKHVSA-N 2 1 298.833 3.342 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(C)c34)C[C@@H]2C1 ZINC001139200438 804159957 /nfs/dbraw/zinc/15/99/57/804159957.db2.gz XJXCRBGRGPCPRQ-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cccc(C)c34)C[C@@H]2C1 ZINC001139200438 804159964 /nfs/dbraw/zinc/15/99/64/804159964.db2.gz XJXCRBGRGPCPRQ-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4cccc(C)c34)C[C@@H]2C1 ZINC001139200438 804159971 /nfs/dbraw/zinc/15/99/71/804159971.db2.gz XJXCRBGRGPCPRQ-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3ccn(C)c3c2)CC1 ZINC001139204369 804162356 /nfs/dbraw/zinc/16/23/56/804162356.db2.gz LGQGWEVBSTUXRD-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3ccn(C)c3c2)CC1 ZINC001139204369 804162361 /nfs/dbraw/zinc/16/23/61/804162361.db2.gz LGQGWEVBSTUXRD-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CCCC[N@@H+](CC)CCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246160245 804177765 /nfs/dbraw/zinc/17/77/65/804177765.db2.gz DLTYHGUWNMCVMS-KRWDZBQOSA-N 2 1 295.515 3.153 20 0 CGADMP CCCC[N@@H+](CC)CCN[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246161381 804177793 /nfs/dbraw/zinc/17/77/93/804177793.db2.gz KYYFXZLZNMDGDH-BJWYYQGGSA-N 2 1 283.504 3.007 20 0 CGADMP CCCC[N@@H+](CC)CCN[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246161382 804177960 /nfs/dbraw/zinc/17/79/60/804177960.db2.gz KYYFXZLZNMDGDH-FVQHAEBGSA-N 2 1 283.504 3.007 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246161986 804179237 /nfs/dbraw/zinc/17/92/37/804179237.db2.gz UXSBRZFOUWZCAW-VVLHAWIVSA-N 2 1 282.472 3.092 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246166773 804182100 /nfs/dbraw/zinc/18/21/00/804182100.db2.gz CBEWSCPEABPBHI-QZTJIDSGSA-N 2 1 274.452 3.376 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246180019 804194070 /nfs/dbraw/zinc/19/40/70/804194070.db2.gz QCKQNPLHRWYOHI-QFBILLFUSA-N 2 1 294.442 3.333 20 0 CGADMP C[C@]1([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246192337 804199623 /nfs/dbraw/zinc/19/96/23/804199623.db2.gz ZTCQFUMFYBANLY-IKGGRYGDSA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC001246192173 804200602 /nfs/dbraw/zinc/20/06/02/804200602.db2.gz SWSVCJUBCJLEFQ-QGZVFWFLSA-N 2 1 268.404 3.112 20 0 CGADMP CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@H]1CC[NH2+]C1 ZINC001246192172 804200617 /nfs/dbraw/zinc/20/06/17/804200617.db2.gz SWSVCJUBCJLEFQ-KRWDZBQOSA-N 2 1 268.404 3.112 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246191327 804200828 /nfs/dbraw/zinc/20/08/28/804200828.db2.gz VTQMVXWKWRPZDZ-ROUUACIJSA-N 2 1 274.452 3.376 20 0 CGADMP CC[C@@H]1CC(NCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246193600 804201838 /nfs/dbraw/zinc/20/18/38/804201838.db2.gz BIKIPNVIZJWXEH-GVDBMIGSSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1CC([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246193600 804201844 /nfs/dbraw/zinc/20/18/44/804201844.db2.gz BIKIPNVIZJWXEH-GVDBMIGSSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1CC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246193600 804201849 /nfs/dbraw/zinc/20/18/49/804201849.db2.gz BIKIPNVIZJWXEH-GVDBMIGSSA-N 3 1 295.515 3.150 20 0 CGADMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+]C1CCCCCCC1 ZINC001246206550 804206458 /nfs/dbraw/zinc/20/64/58/804206458.db2.gz HBMQEUIGJYRGPY-HNNXBMFYSA-N 2 1 298.471 3.138 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246215485 804212167 /nfs/dbraw/zinc/21/21/67/804212167.db2.gz YKRFBWHJPFSGJW-SJORKVTESA-N 3 1 283.504 3.009 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CC[NH2+]1 ZINC001246245201 804235478 /nfs/dbraw/zinc/23/54/78/804235478.db2.gz RYROJZMWXJEAOP-HOCLYGCPSA-N 2 1 272.392 3.299 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2cccc(Cl)c2)C[NH2+]1 ZINC001246258628 804242413 /nfs/dbraw/zinc/24/24/13/804242413.db2.gz LMXJICAFPFSWBN-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC001246263801 804244860 /nfs/dbraw/zinc/24/48/60/804244860.db2.gz LNDUQEDIZOTGPA-FICVDOATSA-N 2 1 278.827 3.411 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001246264088 804246264 /nfs/dbraw/zinc/24/62/64/804246264.db2.gz DYTLAZSJUMZNFY-OXQOHEQNSA-N 2 1 296.458 3.340 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001246266321 804246540 /nfs/dbraw/zinc/24/65/40/804246540.db2.gz JYBFTBQUPWJBTN-QFBILLFUSA-N 2 1 282.431 3.086 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246298441 804265929 /nfs/dbraw/zinc/26/59/29/804265929.db2.gz BOOGDHZAYHTROD-LPHOPBHVSA-N 2 1 282.431 3.086 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299336 804266980 /nfs/dbraw/zinc/26/69/80/804266980.db2.gz IZMKURINSRCLPM-OALUTQOASA-N 2 1 282.431 3.167 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+]C[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246301455 804268620 /nfs/dbraw/zinc/26/86/20/804268620.db2.gz WZYNCTPNZSDFSH-OALUTQOASA-N 2 1 294.442 3.012 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246324602 804282244 /nfs/dbraw/zinc/28/22/44/804282244.db2.gz FZGKRJALHLLDAX-SOUVJXGZSA-N 2 1 254.462 3.425 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246333430 804287720 /nfs/dbraw/zinc/28/77/20/804287720.db2.gz VDSYPXOZPSHYBR-WFASDCNBSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246333424 804288295 /nfs/dbraw/zinc/28/82/95/804288295.db2.gz VDSYPXOZPSHYBR-DOMZBBRYSA-N 2 1 280.843 3.249 20 0 CGADMP CCCCCCOC(=O)CCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246338899 804292494 /nfs/dbraw/zinc/29/24/94/804292494.db2.gz DEOBWSKTXFQBFS-INIZCTEOSA-N 2 1 298.471 3.012 20 0 CGADMP CCCCC1CCC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246342987 804293847 /nfs/dbraw/zinc/29/38/47/804293847.db2.gz QLEGLPRRYUJUEB-PRLABOORSA-N 2 1 252.446 3.466 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246356349 804301459 /nfs/dbraw/zinc/30/14/59/804301459.db2.gz NKHWXFIKTJNAQS-INIZCTEOSA-N 2 1 260.425 3.259 20 0 CGADMP CC[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246359290 804303898 /nfs/dbraw/zinc/30/38/98/804303898.db2.gz AIPKKRSTTAUUBO-YVSFHVDLSA-N 2 1 295.515 3.006 20 0 CGADMP Clc1ccccc1C1([NH2+]C2CCCC2)CC[NH2+]CC1 ZINC001246374798 804309763 /nfs/dbraw/zinc/30/97/63/804309763.db2.gz LZIWEWZDUGOYAZ-UHFFFAOYSA-N 2 1 278.827 3.451 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC001139898391 804319961 /nfs/dbraw/zinc/31/99/61/804319961.db2.gz LPRLIZFROSJZKL-ROUUACIJSA-N 2 1 295.430 3.008 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246408892 804322881 /nfs/dbraw/zinc/32/28/81/804322881.db2.gz XRKUCAIIGRWCDE-UOVPBQLFSA-N 3 1 293.499 3.032 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246407033 804323733 /nfs/dbraw/zinc/32/37/33/804323733.db2.gz SKORCHSCFHBRAV-UOVPBQLFSA-N 2 1 293.499 3.032 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C(C)C)c1 ZINC001246476630 804351840 /nfs/dbraw/zinc/35/18/40/804351840.db2.gz SXDIHEVMWOAQIO-IAGOWNOFSA-N 2 1 260.425 3.424 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246495616 804359968 /nfs/dbraw/zinc/35/99/68/804359968.db2.gz KSVJSUOOGIPRCK-NXHRZFHOSA-N 2 1 274.452 3.376 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC001246503356 804364193 /nfs/dbraw/zinc/36/41/93/804364193.db2.gz LOURLDNWACQRMA-PBHICJAKSA-N 2 1 262.441 3.143 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246509501 804368355 /nfs/dbraw/zinc/36/83/55/804368355.db2.gz DZOMRGCHNNOGGC-DLBZAZTESA-N 3 1 295.515 3.151 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)C2CC2)C[NH2+]1 ZINC001246516269 804370025 /nfs/dbraw/zinc/37/00/25/804370025.db2.gz REPHIWMPOSUEQN-HFBAOOFYSA-N 2 1 278.827 3.174 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccc2)CC[NH2+]1 ZINC001246518941 804371417 /nfs/dbraw/zinc/37/14/17/804371417.db2.gz JCLUPAUOTSPDFX-MSOLQXFVSA-N 2 1 274.452 3.472 20 0 CGADMP CCCC[N@@H+](CC)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246523003 804376754 /nfs/dbraw/zinc/37/67/54/804376754.db2.gz VQCXKKGVALOYLX-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246522340 804376846 /nfs/dbraw/zinc/37/68/46/804376846.db2.gz JPCFOMOSSWVIHL-SFHVURJKSA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246521139 804377050 /nfs/dbraw/zinc/37/70/50/804377050.db2.gz WPOOYDMCKQFHMS-HUUCEWRRSA-N 2 1 260.425 3.426 20 0 CGADMP CCCC(CCC)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246525660 804377758 /nfs/dbraw/zinc/37/77/58/804377758.db2.gz ZVUMWNOMDPHOMK-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246523418 804378808 /nfs/dbraw/zinc/37/88/08/804378808.db2.gz FWHZXZUWJKJBEA-JKSUJKDBSA-N 2 1 278.415 3.424 20 0 CGADMP CC(C)CC[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246525428 804378954 /nfs/dbraw/zinc/37/89/54/804378954.db2.gz YDSNSMYOLRRJOM-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246530360 804380337 /nfs/dbraw/zinc/38/03/37/804380337.db2.gz LNOJERRDRLYFDM-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246533581 804383020 /nfs/dbraw/zinc/38/30/20/804383020.db2.gz VSOJGCWYBRFNDD-HOTGVXAUSA-N 2 1 252.446 3.418 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](C2CCC3(CCCC3)CC2)CC1 ZINC001246538627 804387886 /nfs/dbraw/zinc/38/78/86/804387886.db2.gz DMBYKDBSEYEOCQ-CQSZACIVSA-N 2 1 250.430 3.303 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538469 804389026 /nfs/dbraw/zinc/38/90/26/804389026.db2.gz CEKALLUNCBAGMU-VXGBXAGGSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538469 804389034 /nfs/dbraw/zinc/38/90/34/804389034.db2.gz CEKALLUNCBAGMU-VXGBXAGGSA-N 2 1 284.806 3.223 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246542066 804391486 /nfs/dbraw/zinc/39/14/86/804391486.db2.gz VETACSKWZJWNSX-QEOTZNIISA-N 2 1 292.467 3.129 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246542066 804391493 /nfs/dbraw/zinc/39/14/93/804391493.db2.gz VETACSKWZJWNSX-QEOTZNIISA-N 2 1 292.467 3.129 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001246545051 804394395 /nfs/dbraw/zinc/39/43/95/804394395.db2.gz WSMLEPXNZYFXEJ-DOTOQJQBSA-N 2 1 260.425 3.129 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246549580 804397879 /nfs/dbraw/zinc/39/78/79/804397879.db2.gz JDYDVICPUOTEKT-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001246549101 804399170 /nfs/dbraw/zinc/39/91/70/804399170.db2.gz HAPJEUANMIZYOW-PMPSAXMXSA-N 2 1 292.492 3.392 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246553276 804402637 /nfs/dbraw/zinc/40/26/37/804402637.db2.gz XKKZFNRRZUMJHL-LSDHHAIUSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001246553499 804404340 /nfs/dbraw/zinc/40/43/40/804404340.db2.gz BBUFTYFZMHRWHF-MROQNXINSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001246553499 804404343 /nfs/dbraw/zinc/40/43/43/804404343.db2.gz BBUFTYFZMHRWHF-MROQNXINSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)C[C@@H](C)C1 ZINC001246554579 804404661 /nfs/dbraw/zinc/40/46/61/804404661.db2.gz BLZNPGDUTYFEFQ-JKJDWNRSSA-N 2 1 252.446 3.118 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246554934 804404757 /nfs/dbraw/zinc/40/47/57/804404757.db2.gz CZXWODVEVOEIEM-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246556624 804406230 /nfs/dbraw/zinc/40/62/30/804406230.db2.gz JWSYRBBDNNDTRQ-JHJVBQTASA-N 2 1 274.399 3.117 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@](C)([NH3+])CC1)CC2 ZINC001246556433 804406556 /nfs/dbraw/zinc/40/65/56/804406556.db2.gz ZSTZYTVLDRBHCA-ZWKOTPCHSA-N 2 1 272.436 3.056 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246557382 804406619 /nfs/dbraw/zinc/40/66/19/804406619.db2.gz LKUVRYIUBCOYHM-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc([C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246558211 804408094 /nfs/dbraw/zinc/40/80/94/804408094.db2.gz PHXJHMUCXCTNQU-QZTJIDSGSA-N 2 1 284.447 3.398 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246558610 804408472 /nfs/dbraw/zinc/40/84/72/804408472.db2.gz NASARJIEAYGKPQ-IHRRRGAJSA-N 2 1 272.502 3.213 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246564024 804413143 /nfs/dbraw/zinc/41/31/43/804413143.db2.gz YNNNFLZDTXIPRF-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC1CC([N@@H+](C)[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246570014 804417618 /nfs/dbraw/zinc/41/76/18/804417618.db2.gz GTYROWNXJAWYLW-FFDQMNFHSA-N 2 1 272.436 3.080 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246571439 804419223 /nfs/dbraw/zinc/41/92/23/804419223.db2.gz SBFIPXKFCZZGCF-RBSFLKMASA-N 2 1 258.425 3.353 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246571439 804419228 /nfs/dbraw/zinc/41/92/28/804419228.db2.gz SBFIPXKFCZZGCF-RBSFLKMASA-N 2 1 258.425 3.353 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC[C@H]1F ZINC001246573003 804420512 /nfs/dbraw/zinc/42/05/12/804420512.db2.gz VNYKOHTXMOWMSF-XMTFNYHQSA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC[C@H]1F ZINC001246573003 804420516 /nfs/dbraw/zinc/42/05/16/804420516.db2.gz VNYKOHTXMOWMSF-XMTFNYHQSA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001246575021 804422181 /nfs/dbraw/zinc/42/21/81/804422181.db2.gz GLTVAWWOSGGVRX-FRRDWIJNSA-N 2 1 296.352 3.260 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001246575021 804422186 /nfs/dbraw/zinc/42/21/86/804422186.db2.gz GLTVAWWOSGGVRX-FRRDWIJNSA-N 2 1 296.352 3.260 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140376653 804423531 /nfs/dbraw/zinc/42/35/31/804423531.db2.gz HOOTVFHMTMUIMX-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246578809 804424009 /nfs/dbraw/zinc/42/40/09/804424009.db2.gz CJRUUPPBIRRPQT-GDBMZVCRSA-N 2 1 252.446 3.406 20 0 CGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001246580590 804426666 /nfs/dbraw/zinc/42/66/66/804426666.db2.gz XEHZFXFSLZQOPO-MAUKXSAKSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246580540 804426676 /nfs/dbraw/zinc/42/66/76/804426676.db2.gz WZDRYEFKQGLCLA-YOEHRIQHSA-N 2 1 278.415 3.208 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246585374 804427660 /nfs/dbraw/zinc/42/76/60/804427660.db2.gz JTROEPPWJKFHFC-KURKYZTESA-N 2 1 292.442 3.405 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246585374 804427662 /nfs/dbraw/zinc/42/76/62/804427662.db2.gz JTROEPPWJKFHFC-KURKYZTESA-N 2 1 292.442 3.405 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246584274 804427999 /nfs/dbraw/zinc/42/79/99/804427999.db2.gz IXVJIJUMIAAUJC-BYCMXARLSA-N 2 1 284.806 3.032 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246584274 804428004 /nfs/dbraw/zinc/42/80/04/804428004.db2.gz IXVJIJUMIAAUJC-BYCMXARLSA-N 2 1 284.806 3.032 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246585765 804429513 /nfs/dbraw/zinc/42/95/13/804429513.db2.gz QINKHDDGOJVABT-YOEHRIQHSA-N 2 1 278.415 3.208 20 0 CGADMP C[C@@]1(F)CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1F ZINC001246590002 804431162 /nfs/dbraw/zinc/43/11/62/804431162.db2.gz RFWIENFUYYBRBM-LSDHHAIUSA-N 2 1 286.410 3.071 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589505 804432481 /nfs/dbraw/zinc/43/24/81/804432481.db2.gz SFAOZGQQSZWLDJ-ZACQAIPSSA-N 2 1 278.415 3.159 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589505 804432483 /nfs/dbraw/zinc/43/24/83/804432483.db2.gz SFAOZGQQSZWLDJ-ZACQAIPSSA-N 2 1 278.415 3.159 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246595063 804437180 /nfs/dbraw/zinc/43/71/80/804437180.db2.gz XLFMTEFPKGYKGN-CVSAEHQPSA-N 2 1 256.409 3.107 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246595063 804437182 /nfs/dbraw/zinc/43/71/82/804437182.db2.gz XLFMTEFPKGYKGN-CVSAEHQPSA-N 2 1 256.409 3.107 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@]23CCC[NH2+]C3)C[C@H](C)C1 ZINC001246606246 804441348 /nfs/dbraw/zinc/44/13/48/804441348.db2.gz DJDFKLRVHHASLF-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246610355 804444634 /nfs/dbraw/zinc/44/46/34/804444634.db2.gz QSGFMUKQHAGYLA-IAGOWNOFSA-N 2 1 282.472 3.047 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246613968 804447957 /nfs/dbraw/zinc/44/79/57/804447957.db2.gz MLUXMHMWJVAXDM-MAUKXSAKSA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246613968 804447960 /nfs/dbraw/zinc/44/79/60/804447960.db2.gz MLUXMHMWJVAXDM-MAUKXSAKSA-N 2 1 272.436 3.008 20 0 CGADMP C1C[C@]2(CCC[N@@H+](C3CCC4(CCCC4)CC3)C2)[NH2+]1 ZINC001246614924 804448102 /nfs/dbraw/zinc/44/81/02/804448102.db2.gz VVMWNUIGFYVLSL-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP C1C[C@]2(CCC[N@H+](C3CCC4(CCCC4)CC3)C2)[NH2+]1 ZINC001246614924 804448107 /nfs/dbraw/zinc/44/81/07/804448107.db2.gz VVMWNUIGFYVLSL-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246614988 804448119 /nfs/dbraw/zinc/44/81/19/804448119.db2.gz QJTGDOBAYJVSJT-RTBURBONSA-N 2 1 286.463 3.472 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246615127 804448793 /nfs/dbraw/zinc/44/87/93/804448793.db2.gz CRLWAMYKTGRQFP-UKRRQHHQSA-N 2 1 270.486 3.125 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001246616221 804450546 /nfs/dbraw/zinc/45/05/46/804450546.db2.gz GMFLBOZXWTWHAN-INIZCTEOSA-N 2 1 272.436 3.002 20 0 CGADMP CCCC[C@H](C)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246617582 804452371 /nfs/dbraw/zinc/45/23/71/804452371.db2.gz DTOYDADNKDHXGK-DOTOQJQBSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246619083 804453683 /nfs/dbraw/zinc/45/36/83/804453683.db2.gz HGPFTOIWUGLMSA-CVEARBPZSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246619083 804453689 /nfs/dbraw/zinc/45/36/89/804453689.db2.gz HGPFTOIWUGLMSA-CVEARBPZSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@H](CC(C)C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620266 804453988 /nfs/dbraw/zinc/45/39/88/804453988.db2.gz QQOYQVFCJNQTKM-NJAFHUGGSA-N 2 1 272.436 3.382 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620266 804453992 /nfs/dbraw/zinc/45/39/92/804453992.db2.gz QQOYQVFCJNQTKM-NJAFHUGGSA-N 2 1 272.436 3.382 20 0 CGADMP C1CC2(CCCC2)[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246622312 804454857 /nfs/dbraw/zinc/45/48/57/804454857.db2.gz IBTPKPVHIVHJTG-UHFFFAOYSA-N 2 1 262.441 3.317 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC3(CCC[NH2+]3)CC2)CC(C)(C)C1 ZINC001246623039 804455110 /nfs/dbraw/zinc/45/51/10/804455110.db2.gz JLWIFQIEZLWFEL-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246623705 804455149 /nfs/dbraw/zinc/45/51/49/804455149.db2.gz MNEVRPJYGBYHPQ-DLBZAZTESA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246623341 804455346 /nfs/dbraw/zinc/45/53/46/804455346.db2.gz SFPQBRBJTWTDLJ-HZPDHXFCSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246623341 804455352 /nfs/dbraw/zinc/45/53/52/804455352.db2.gz SFPQBRBJTWTDLJ-HZPDHXFCSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246622256 804455496 /nfs/dbraw/zinc/45/54/96/804455496.db2.gz QIQUYVADRXSXOO-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1cc(F)cc(Cl)c1 ZINC001140542160 804456694 /nfs/dbraw/zinc/45/66/94/804456694.db2.gz FFEJUORNLOGFMF-UHFFFAOYSA-N 2 1 281.762 3.198 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246626781 804456740 /nfs/dbraw/zinc/45/67/40/804456740.db2.gz YKSQMSASJCIQMZ-VQIMIIECSA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246626781 804456748 /nfs/dbraw/zinc/45/67/48/804456748.db2.gz YKSQMSASJCIQMZ-VQIMIIECSA-N 2 1 286.463 3.398 20 0 CGADMP CCC1CCC([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001246625720 804457106 /nfs/dbraw/zinc/45/71/06/804457106.db2.gz UCLNUHBZABLBCT-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246624197 804457308 /nfs/dbraw/zinc/45/73/08/804457308.db2.gz COGIQNNSERCVTR-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627367 804459107 /nfs/dbraw/zinc/45/91/07/804459107.db2.gz JGNYTIZAEUCLMC-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)C[C@@H]21 ZINC001246633268 804464312 /nfs/dbraw/zinc/46/43/12/804464312.db2.gz KZHNROWGSWEQCR-PNBKFKSVSA-N 2 1 262.441 3.029 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)C[C@@H]21 ZINC001246633268 804464317 /nfs/dbraw/zinc/46/43/17/804464317.db2.gz KZHNROWGSWEQCR-PNBKFKSVSA-N 2 1 262.441 3.029 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246632985 804464667 /nfs/dbraw/zinc/46/46/67/804464667.db2.gz CVRPUXIZANZPTP-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246632985 804464668 /nfs/dbraw/zinc/46/46/68/804464668.db2.gz CVRPUXIZANZPTP-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246639368 804467769 /nfs/dbraw/zinc/46/77/69/804467769.db2.gz QQSSQMFKIZMNRF-MSOLQXFVSA-N 2 1 296.499 3.293 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246641425 804469076 /nfs/dbraw/zinc/46/90/76/804469076.db2.gz ZSUSHCZDPGDRKE-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC23CC[NH2+]CC3)CC(C)(C)C1 ZINC001246644095 804471987 /nfs/dbraw/zinc/47/19/87/804471987.db2.gz VKKIDUKXVWJOGL-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246645315 804472095 /nfs/dbraw/zinc/47/20/95/804472095.db2.gz UBSDMHUJPHYLTP-WZOJCFFYSA-N 2 1 284.447 3.224 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)CC(C)(C)C1 ZINC001246645790 804473599 /nfs/dbraw/zinc/47/35/99/804473599.db2.gz DTWGHHGUHWGWKT-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246645932 804473832 /nfs/dbraw/zinc/47/38/32/804473832.db2.gz FATCXXQHDQGTCX-OAHLLOKOSA-N 2 1 290.426 3.365 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1CCC[C@@]13CC[NH2+]C3)CC2 ZINC001246647115 804474305 /nfs/dbraw/zinc/47/43/05/804474305.db2.gz HOVQQDXNBQRBPC-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP CCC[C@@H](CC)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246647430 804474818 /nfs/dbraw/zinc/47/48/18/804474818.db2.gz SCBZKNYCFUDVPW-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650029 804477435 /nfs/dbraw/zinc/47/74/35/804477435.db2.gz GBHJBDULSUWTDH-YESZJQIVSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246648833 804477842 /nfs/dbraw/zinc/47/78/42/804477842.db2.gz ZWXHDSZCMFCWFX-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246650264 804479009 /nfs/dbraw/zinc/47/90/09/804479009.db2.gz SHEDVBAKNQTFLE-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650499 804479146 /nfs/dbraw/zinc/47/91/46/804479146.db2.gz IWDKOTHSKORVBE-ZWKOTPCHSA-N 2 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CCCC[C@]12CCC[NH2+]C2 ZINC001246650499 804479149 /nfs/dbraw/zinc/47/91/49/804479149.db2.gz IWDKOTHSKORVBE-ZWKOTPCHSA-N 2 1 295.515 3.105 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246650263 804479166 /nfs/dbraw/zinc/47/91/66/804479166.db2.gz SHEDVBAKNQTFLE-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655408 804480368 /nfs/dbraw/zinc/48/03/68/804480368.db2.gz LGOQCRHMPCSQGB-BYCMXARLSA-N 2 1 298.352 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655408 804480372 /nfs/dbraw/zinc/48/03/72/804480372.db2.gz LGOQCRHMPCSQGB-BYCMXARLSA-N 2 1 298.352 3.060 20 0 CGADMP C1C[C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C[C@@H]2C1 ZINC001246654672 804480740 /nfs/dbraw/zinc/48/07/40/804480740.db2.gz IHGJFIWMMUMUEC-YYIAUSFCSA-N 2 1 262.441 3.031 20 0 CGADMP CCCCC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246654030 804481017 /nfs/dbraw/zinc/48/10/17/804481017.db2.gz GVSWBTRBEINHIT-AGIUHOORSA-N 2 1 278.362 3.039 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246654116 804481154 /nfs/dbraw/zinc/48/11/54/804481154.db2.gz ULMQTWMFPUTMRD-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246659474 804483442 /nfs/dbraw/zinc/48/34/42/804483442.db2.gz XKYNHUFCVSZPHA-MJBXVCDLSA-N 2 1 292.389 3.429 20 0 CGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](C1CCCCCCC1)C2 ZINC001246659231 804483880 /nfs/dbraw/zinc/48/38/80/804483880.db2.gz WPJSQRWXQPVDPX-JSGCOSHPSA-N 2 1 290.373 3.183 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661906 804484947 /nfs/dbraw/zinc/48/49/47/804484947.db2.gz HGSAYHXPIBAQMZ-KZNAEPCWSA-N 2 1 272.436 3.211 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246663438 804485189 /nfs/dbraw/zinc/48/51/89/804485189.db2.gz UXWNOOSBGGFVTQ-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246663438 804485194 /nfs/dbraw/zinc/48/51/94/804485194.db2.gz UXWNOOSBGGFVTQ-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246668203 804488532 /nfs/dbraw/zinc/48/85/32/804488532.db2.gz MIKDJHAHRIFYKY-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246678365 804493150 /nfs/dbraw/zinc/49/31/50/804493150.db2.gz MLVRARJHWJLXFQ-PKOBYXMFSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)CCC[NH3+] ZINC001246680507 804494346 /nfs/dbraw/zinc/49/43/46/804494346.db2.gz JXIFWASAKDJOQI-SNVBAGLBSA-N 2 1 290.785 3.220 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001246693740 804499715 /nfs/dbraw/zinc/49/97/15/804499715.db2.gz QKVWOOPUJJQJIY-SJJHQCBESA-N 2 1 282.447 3.369 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246767932 804500945 /nfs/dbraw/zinc/50/09/45/804500945.db2.gz DJLISHBJDAFMMI-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246769064 804503034 /nfs/dbraw/zinc/50/30/34/804503034.db2.gz HSKBKEDKWVFORX-WBVHZDCISA-N 2 1 290.451 3.294 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC001246774243 804504038 /nfs/dbraw/zinc/50/40/38/804504038.db2.gz DVNPEBCOKAGCBZ-IAGOWNOFSA-N 2 1 290.451 3.308 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246773326 804504390 /nfs/dbraw/zinc/50/43/90/804504390.db2.gz APSJZWQIGSRARI-HRBLRVMOSA-N 2 1 270.420 3.149 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC001246774244 804504986 /nfs/dbraw/zinc/50/49/86/804504986.db2.gz DVNPEBCOKAGCBZ-IRXDYDNUSA-N 2 1 290.451 3.308 20 0 CGADMP c1ccc(CCC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246779787 804508128 /nfs/dbraw/zinc/50/81/28/804508128.db2.gz JAWQCAQPRLBCAR-IBGZPJMESA-N 2 1 286.463 3.473 20 0 CGADMP CC1(C)CC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246782460 804508305 /nfs/dbraw/zinc/50/83/05/804508305.db2.gz KMYHSQOVNNTQPH-HOTGVXAUSA-N 2 1 258.409 3.212 20 0 CGADMP CC1(C)CC[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246782460 804508312 /nfs/dbraw/zinc/50/83/12/804508312.db2.gz KMYHSQOVNNTQPH-HOTGVXAUSA-N 2 1 258.409 3.212 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246782599 804508759 /nfs/dbraw/zinc/50/87/59/804508759.db2.gz SZUCMZHVKVOGGZ-XIRDDKMYSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246782599 804508762 /nfs/dbraw/zinc/50/87/62/804508762.db2.gz SZUCMZHVKVOGGZ-XIRDDKMYSA-N 2 1 258.409 3.272 20 0 CGADMP COCC[C@H]1CCCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246789258 804513502 /nfs/dbraw/zinc/51/35/02/804513502.db2.gz WTOFPERTCVNDBD-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791697 804515027 /nfs/dbraw/zinc/51/50/27/804515027.db2.gz LRYLKZSXDJALFU-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246794511 804517003 /nfs/dbraw/zinc/51/70/03/804517003.db2.gz FQDLVYROAONAPO-OAHLLOKOSA-N 2 1 252.446 3.443 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[C@H]1C ZINC001246793371 804517216 /nfs/dbraw/zinc/51/72/16/804517216.db2.gz YMJDZDGFTVSRGV-QXSJWSMHSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246793343 804517939 /nfs/dbraw/zinc/51/79/39/804517939.db2.gz VBZJBCOQPLGYFI-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](Cc1ccccc1F)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246793769 804517990 /nfs/dbraw/zinc/51/79/90/804517990.db2.gz VYSREXLVTNBTSO-DOTOQJQBSA-N 2 1 276.399 3.180 20 0 CGADMP c1[nH]c2ccncc2c1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140800947 804520246 /nfs/dbraw/zinc/52/02/46/804520246.db2.gz BQXWZTWSBBVLLV-STQMWFEESA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2ccncc2c1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140800947 804520253 /nfs/dbraw/zinc/52/02/53/804520253.db2.gz BQXWZTWSBBVLLV-STQMWFEESA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140800947 804520257 /nfs/dbraw/zinc/52/02/57/804520257.db2.gz BQXWZTWSBBVLLV-STQMWFEESA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140800947 804520261 /nfs/dbraw/zinc/52/02/61/804520261.db2.gz BQXWZTWSBBVLLV-STQMWFEESA-N 2 1 255.365 3.185 20 0 CGADMP FC1(F)CC[C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]21 ZINC001140801495 804520497 /nfs/dbraw/zinc/52/04/97/804520497.db2.gz PTXZBFXQNLTIBW-MFKMUULPSA-N 2 1 277.318 3.040 20 0 CGADMP FC1(F)CC[C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]21 ZINC001140801495 804520502 /nfs/dbraw/zinc/52/05/02/804520502.db2.gz PTXZBFXQNLTIBW-MFKMUULPSA-N 2 1 277.318 3.040 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccccc2F)C[C@H](C)[NH2+]1 ZINC001246799471 804521402 /nfs/dbraw/zinc/52/14/02/804521402.db2.gz UUBVNUVWMQDILS-LOUJCGABSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246803487 804523094 /nfs/dbraw/zinc/52/30/94/804523094.db2.gz KZGQQULDRWWSCQ-CABCVRRESA-N 2 1 250.430 3.316 20 0 CGADMP C[N@H+](CCC=Cc1cccnc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804686 804523109 /nfs/dbraw/zinc/52/31/09/804523109.db2.gz ACKOHXVNXMNGEF-GORDUTHDSA-N 2 1 292.386 3.493 20 0 CGADMP C[N@@H+](CCC=Cc1cccnc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804686 804523114 /nfs/dbraw/zinc/52/31/14/804523114.db2.gz ACKOHXVNXMNGEF-GORDUTHDSA-N 2 1 292.386 3.493 20 0 CGADMP C[N@@H+](CC(C)(C)C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246803525 804523781 /nfs/dbraw/zinc/52/37/81/804523781.db2.gz ZAOPNVPOXWDZQV-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246804174 804524143 /nfs/dbraw/zinc/52/41/43/804524143.db2.gz MNQAJASPLSXHLG-DAYGRLMNSA-N 2 1 290.426 3.392 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2[C@H]2CCC[NH2+]CC2)c1 ZINC001246807642 804525249 /nfs/dbraw/zinc/52/52/49/804525249.db2.gz OOBXFENHNJFKGV-FUHWJXTLSA-N 2 1 288.435 3.364 20 0 CGADMP Clc1ccccc1[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246811088 804528638 /nfs/dbraw/zinc/52/86/38/804528638.db2.gz RRFVPCWZEYVFFY-KGLIPLIRSA-N 2 1 278.827 3.271 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246820539 804535656 /nfs/dbraw/zinc/53/56/56/804535656.db2.gz GVDFRYAFISKYPW-FVQHAEBGSA-N 2 1 292.854 3.487 20 0 CGADMP CCCC(CCC)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828050 804539096 /nfs/dbraw/zinc/53/90/96/804539096.db2.gz URUHNDCXYSBVQV-MNOVXSKESA-N 2 1 266.351 3.167 20 0 CGADMP CCCC(CCC)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828050 804539101 /nfs/dbraw/zinc/53/91/01/804539101.db2.gz URUHNDCXYSBVQV-MNOVXSKESA-N 2 1 266.351 3.167 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC[NH2+]1 ZINC001246831258 804540644 /nfs/dbraw/zinc/54/06/44/804540644.db2.gz CSUGIOPXYOIMGJ-VVLHAWIVSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]3CCCC[C@H]32)CC[NH2+]1 ZINC001246831258 804540649 /nfs/dbraw/zinc/54/06/49/804540649.db2.gz CSUGIOPXYOIMGJ-VVLHAWIVSA-N 2 1 264.457 3.418 20 0 CGADMP C1CC[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246834630 804542984 /nfs/dbraw/zinc/54/29/84/804542984.db2.gz IQZFWTSUTHESPQ-FIDHJVLJSA-N 2 1 262.441 3.314 20 0 CGADMP C1CC[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246834630 804542989 /nfs/dbraw/zinc/54/29/89/804542989.db2.gz IQZFWTSUTHESPQ-FIDHJVLJSA-N 2 1 262.441 3.314 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](CC)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246838507 804545812 /nfs/dbraw/zinc/54/58/12/804545812.db2.gz CQBSFIGYYHLJRN-JKSUJKDBSA-N 2 1 264.388 3.178 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246839407 804548121 /nfs/dbraw/zinc/54/81/21/804548121.db2.gz AXLSTGYBVRCGGI-YWPYICTPSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246838976 804548173 /nfs/dbraw/zinc/54/81/73/804548173.db2.gz KYJBEDGXWHCQAZ-NBMJBFSESA-N 2 1 286.463 3.328 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839626 804548855 /nfs/dbraw/zinc/54/88/55/804548855.db2.gz JPEKXECWDYLCCF-UXLLHSPISA-N 2 1 290.451 3.465 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839626 804548862 /nfs/dbraw/zinc/54/88/62/804548862.db2.gz JPEKXECWDYLCCF-UXLLHSPISA-N 2 1 290.451 3.465 20 0 CGADMP C1CC2(C1)C[C@@H]([N@@H+]1CCC[C@@H]3CCCC[C@H]31)CC[NH2+]2 ZINC001246841349 804550599 /nfs/dbraw/zinc/55/05/99/804550599.db2.gz YSNXOQBRYKPHFC-HRCADAONSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)C[C@@H]([N@H+]1CCC[C@@H]3CCCC[C@H]31)CC[NH2+]2 ZINC001246841349 804550605 /nfs/dbraw/zinc/55/06/05/804550605.db2.gz YSNXOQBRYKPHFC-HRCADAONSA-N 2 1 262.441 3.316 20 0 CGADMP CC[C@@H]1CC([N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246843403 804551743 /nfs/dbraw/zinc/55/17/43/804551743.db2.gz WALPZKQSMSITMD-LXTVHRRPSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246843449 804551829 /nfs/dbraw/zinc/55/18/29/804551829.db2.gz GGOZVSDPYRRGHB-CEXWTWQISA-N 2 1 286.463 3.329 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001246843637 804552811 /nfs/dbraw/zinc/55/28/11/804552811.db2.gz GVHJVURVPBXBEK-RDJZCZTQSA-N 2 1 260.425 3.129 20 0 CGADMP CC(C)(C)C1CCC([N@H+](C2COC2)C2CC[NH2+]CC2)CC1 ZINC001246847226 804556577 /nfs/dbraw/zinc/55/65/77/804556577.db2.gz REFGOZYFLIJOFN-UHFFFAOYSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)C1CCC([N@@H+](C2COC2)C2CC[NH2+]CC2)CC1 ZINC001246847226 804556586 /nfs/dbraw/zinc/55/65/86/804556586.db2.gz REFGOZYFLIJOFN-UHFFFAOYSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C)CC[NH2+]C ZINC001246846778 804556844 /nfs/dbraw/zinc/55/68/44/804556844.db2.gz RATYLJSPYWABGR-LBPRGKRZSA-N 2 1 254.805 3.160 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC001246859944 804565543 /nfs/dbraw/zinc/56/55/43/804565543.db2.gz MVUQIBMMZSDUDA-QZTJIDSGSA-N 2 1 272.436 3.428 20 0 CGADMP Fc1cccc2c1CC[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246862135 804566052 /nfs/dbraw/zinc/56/60/52/804566052.db2.gz LQHLTORROVKZRD-MAUKXSAKSA-N 2 1 288.410 3.106 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)C1 ZINC001246859267 804566434 /nfs/dbraw/zinc/56/64/34/804566434.db2.gz JCBCATXJCPGODS-NVXWUHKLSA-N 2 1 284.447 3.312 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246862428 804567753 /nfs/dbraw/zinc/56/77/53/804567753.db2.gz GQAPIKAOBCDDJE-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246865302 804568851 /nfs/dbraw/zinc/56/88/51/804568851.db2.gz SWXKUPJMZYJPMQ-OKZBNKHCSA-N 2 1 272.436 3.397 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246870057 804571892 /nfs/dbraw/zinc/57/18/92/804571892.db2.gz YHXQGALQECVKBT-RDJZCZTQSA-N 2 1 258.409 3.138 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246870057 804571899 /nfs/dbraw/zinc/57/18/99/804571899.db2.gz YHXQGALQECVKBT-RDJZCZTQSA-N 2 1 258.409 3.138 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001246868608 804572268 /nfs/dbraw/zinc/57/22/68/804572268.db2.gz BJDUHLRDKJRFJR-STQMWFEESA-N 2 1 280.843 3.300 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246869724 804572265 /nfs/dbraw/zinc/57/22/65/804572265.db2.gz IOCVGPWTVBEOHQ-GOSISDBHSA-N 2 1 295.515 3.090 20 0 CGADMP c1cn(C2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)c2ccccc12 ZINC001246871285 804573086 /nfs/dbraw/zinc/57/30/86/804573086.db2.gz YUWAXTOBBPANMQ-KRWDZBQOSA-N 2 1 283.419 3.030 20 0 CGADMP CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246878874 804576870 /nfs/dbraw/zinc/57/68/70/804576870.db2.gz KTODYDSRPYERSQ-ITGUQSILSA-N 2 1 296.817 3.299 20 0 CGADMP CCC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001246882174 804577937 /nfs/dbraw/zinc/57/79/37/804577937.db2.gz XFRUZCMUYDQLBV-MLFFRYNPSA-N 2 1 298.474 3.428 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC001246887508 804581097 /nfs/dbraw/zinc/58/10/97/804581097.db2.gz POMNFYSFIJJJQX-DVJFUJMWSA-N 2 1 292.373 3.385 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC001246887508 804581101 /nfs/dbraw/zinc/58/11/01/804581101.db2.gz POMNFYSFIJJJQX-DVJFUJMWSA-N 2 1 292.373 3.385 20 0 CGADMP Clc1cccc([C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)c1 ZINC001246888426 804581908 /nfs/dbraw/zinc/58/19/08/804581908.db2.gz UHDDQCJYVXPDQU-HNNXBMFYSA-N 2 1 264.800 3.229 20 0 CGADMP Clc1cccc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)c1 ZINC001246888426 804581912 /nfs/dbraw/zinc/58/19/12/804581912.db2.gz UHDDQCJYVXPDQU-HNNXBMFYSA-N 2 1 264.800 3.229 20 0 CGADMP C[N@@H+](C1CCC2(C[NH2+]C2)CC1)C(C)(C)Cc1ccccc1 ZINC001246890471 804583222 /nfs/dbraw/zinc/58/32/22/804583222.db2.gz GILFLXYKOKOWMF-UHFFFAOYSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246894787 804584575 /nfs/dbraw/zinc/58/45/75/804584575.db2.gz QGLJXPYFRCMCPY-GDZNZVCISA-N 2 1 276.399 3.492 20 0 CGADMP CCC[N@@H+]([C@@H](C)Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246894618 804585013 /nfs/dbraw/zinc/58/50/13/804585013.db2.gz OIVHNKLNSBZHIT-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246893126 804585105 /nfs/dbraw/zinc/58/51/05/804585105.db2.gz HQWGNWZWUQLOLD-APHBMKBZSA-N 2 1 262.372 3.103 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)CCCC[NH3+] ZINC001246895309 804585229 /nfs/dbraw/zinc/58/52/29/804585229.db2.gz UVAFSUMQDPIBIL-QGZVFWFLSA-N 2 1 262.441 3.315 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246899347 804586187 /nfs/dbraw/zinc/58/61/87/804586187.db2.gz DPTRBLJHGDZXNF-KDOFPFPSSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246899347 804586192 /nfs/dbraw/zinc/58/61/92/804586192.db2.gz DPTRBLJHGDZXNF-KDOFPFPSSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246899332 804586757 /nfs/dbraw/zinc/58/67/57/804586757.db2.gz DOFUCECOOGIELT-KBXCAEBGSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246902663 804588504 /nfs/dbraw/zinc/58/85/04/804588504.db2.gz UGUKTPPWLFSPMR-MMMWYMCRSA-N 2 1 295.430 3.303 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH2+]1 ZINC001246901358 804588628 /nfs/dbraw/zinc/58/86/28/804588628.db2.gz MNDHCVIKQISGAR-PMUMKWKESA-N 2 1 283.419 3.445 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)C[C@H]2C1 ZINC001141106370 804590481 /nfs/dbraw/zinc/59/04/81/804590481.db2.gz YXDGMQCSCRVXNR-IAGOWNOFSA-N 2 1 286.463 3.368 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246908402 804592927 /nfs/dbraw/zinc/59/29/27/804592927.db2.gz ASWXGBDHLRLXOK-ROUUACIJSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246912475 804594464 /nfs/dbraw/zinc/59/44/64/804594464.db2.gz DYHVZQSTSLDYEI-MAUKXSAKSA-N 2 1 272.436 3.429 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922669 804602375 /nfs/dbraw/zinc/60/23/75/804602375.db2.gz WITRDEKEUSNPLG-GRAKBVBRSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922669 804602380 /nfs/dbraw/zinc/60/23/80/804602380.db2.gz WITRDEKEUSNPLG-GRAKBVBRSA-N 2 1 250.430 3.029 20 0 CGADMP CCOCC[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924879 804604371 /nfs/dbraw/zinc/60/43/71/804604371.db2.gz NIEHVCXPTULHGH-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP CCOCC[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924879 804604375 /nfs/dbraw/zinc/60/43/75/804604375.db2.gz NIEHVCXPTULHGH-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@@H+]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001246934327 804606563 /nfs/dbraw/zinc/60/65/63/804606563.db2.gz UGSNKGHPUWIAMV-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@H+]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001246934327 804606566 /nfs/dbraw/zinc/60/65/66/804606566.db2.gz UGSNKGHPUWIAMV-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1cccc(Cl)c1 ZINC001246936301 804608375 /nfs/dbraw/zinc/60/83/75/804608375.db2.gz IQYAQPHOYWIIKR-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP CCCCC[C@H](CC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937699 804608487 /nfs/dbraw/zinc/60/84/87/804608487.db2.gz ZZMSBCOXKDOYJP-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+]([C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCC2(CCCCC2)C1 ZINC001246948378 804613619 /nfs/dbraw/zinc/61/36/19/804613619.db2.gz PRINSGGJLPHSPX-CAOSSQGBSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)OCC[C@@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246949630 804615273 /nfs/dbraw/zinc/61/52/73/804615273.db2.gz JWJKCKNLZZRWOU-OAHLLOKOSA-N 2 1 284.488 3.290 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@@H](C(C)C)C1)C2 ZINC001246967242 804620890 /nfs/dbraw/zinc/62/08/90/804620890.db2.gz MVHOCBVPVVRDJB-QZTJIDSGSA-N 2 1 272.436 3.130 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246977448 804623573 /nfs/dbraw/zinc/62/35/73/804623573.db2.gz DACXKDKYZVMERK-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccccc1F ZINC001246977653 804625802 /nfs/dbraw/zinc/62/58/02/804625802.db2.gz SRVGSQCELNNYHK-HUUCEWRRSA-N 2 1 278.415 3.078 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246986062 804628505 /nfs/dbraw/zinc/62/85/05/804628505.db2.gz JOHVUIZLUIAOKS-AEFFLSMTSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001246986062 804628507 /nfs/dbraw/zinc/62/85/07/804628507.db2.gz JOHVUIZLUIAOKS-AEFFLSMTSA-N 2 1 295.515 3.103 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001246991083 804631236 /nfs/dbraw/zinc/63/12/36/804631236.db2.gz KTWKLXCPKDYQJR-ZJIFWQFVSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC001247005530 804636973 /nfs/dbraw/zinc/63/69/73/804636973.db2.gz SDRJQBIBVYVWCI-SQNIBIBYSA-N 2 1 290.426 3.363 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C2)cc1 ZINC001247012148 804639954 /nfs/dbraw/zinc/63/99/54/804639954.db2.gz CCTFDJPYLQEJAO-YDZRNGNQSA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)C1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014816 804642970 /nfs/dbraw/zinc/64/29/70/804642970.db2.gz LKNQAZQYIYGDNE-XGHPGWEVSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014816 804642974 /nfs/dbraw/zinc/64/29/74/804642974.db2.gz LKNQAZQYIYGDNE-XGHPGWEVSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1cc(F)cc(C[N@H+](C(C)C)C2CCN(C)CC2)c1 ZINC001143591844 804871668 /nfs/dbraw/zinc/87/16/68/804871668.db2.gz MCHPTBBWVPNTLL-UHFFFAOYSA-N 2 1 278.415 3.439 20 0 CGADMP Cc1noc2ccc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)cc12 ZINC001248706471 804971770 /nfs/dbraw/zinc/97/17/70/804971770.db2.gz VDNLPEYDBPGHOV-UHFFFAOYSA-N 2 1 299.418 3.054 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4cc[nH]c43)C2)CC1 ZINC001144717114 805038927 /nfs/dbraw/zinc/03/89/27/805038927.db2.gz ABUGDURZXSBMBD-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2ccccc21 ZINC001155019007 805523774 /nfs/dbraw/zinc/52/37/74/805523774.db2.gz BUXJAQLYFFAWFV-DZGCQCFKSA-N 2 1 269.392 3.282 20 0 CGADMP Cc1c[nH+]c(N2CCCC[C@@H]2C2CC[NH2+]CC2)c(C)c1 ZINC001165323506 806993545 /nfs/dbraw/zinc/99/35/45/806993545.db2.gz KXKRHNXFCWXERP-MRXNPFEDSA-N 2 1 273.424 3.057 20 0 CGADMP FC(F)[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256861569 806993551 /nfs/dbraw/zinc/99/35/51/806993551.db2.gz QGGYMCYAPYJELE-CYBMUJFWSA-N 2 1 295.377 3.028 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC001256861837 806993788 /nfs/dbraw/zinc/99/37/88/806993788.db2.gz XFQPEMOTOXQJRU-CABCVRRESA-N 2 1 273.424 3.171 20 0 CGADMP Cc1cncc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)c1 ZINC001257213577 807061730 /nfs/dbraw/zinc/06/17/30/807061730.db2.gz QQPJWUPGXYHYHQ-GOSISDBHSA-N 2 1 287.451 3.304 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3sccc32)CC1 ZINC001257214111 807062032 /nfs/dbraw/zinc/06/20/32/807062032.db2.gz WXZOSQPJBLZQKF-CQSZACIVSA-N 2 1 264.438 3.198 20 0 CGADMP CCC[C@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257320814 807106121 /nfs/dbraw/zinc/10/61/21/807106121.db2.gz XGIUSXBMDZLRQY-GJZGRUSLSA-N 2 1 282.472 3.187 20 0 CGADMP C(C1CC1)[N@H+]1CCCC12CC[NH+](C1CCCC1)CC2 ZINC001257350239 807116936 /nfs/dbraw/zinc/11/69/36/807116936.db2.gz MBGWLTPHHJEUIA-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP CCCCCC[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257357795 807121471 /nfs/dbraw/zinc/12/14/71/807121471.db2.gz UIZPQBJXNHPDOR-BZUAXINKSA-N 2 1 282.472 3.316 20 0 CGADMP CCCCCC[C@@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257369900 807127820 /nfs/dbraw/zinc/12/78/20/807127820.db2.gz XBKHFUMJICISFY-OAHLLOKOSA-N 2 1 295.471 3.475 20 0 CGADMP c1csc(C[N@H+]2C[C@@H]3C[NH+](C4CCCCC4)C[C@@H]3C2)c1 ZINC001257456401 807165489 /nfs/dbraw/zinc/16/54/89/807165489.db2.gz UETIUESDVCNBOM-GASCZTMLSA-N 2 1 290.476 3.444 20 0 CGADMP c1csc(C[N@@H+]2C[C@@H]3C[NH+](C4CCCCC4)C[C@@H]3C2)c1 ZINC001257456401 807165491 /nfs/dbraw/zinc/16/54/91/807165491.db2.gz UETIUESDVCNBOM-GASCZTMLSA-N 2 1 290.476 3.444 20 0 CGADMP c1csc(C[NH+]2C[C@@H]3C[N@H+](C4CCCCC4)C[C@@H]3C2)c1 ZINC001257456401 807165494 /nfs/dbraw/zinc/16/54/94/807165494.db2.gz UETIUESDVCNBOM-GASCZTMLSA-N 2 1 290.476 3.444 20 0 CGADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+](C4CCCCC4)C[C@@H]3C2)c1 ZINC001257456401 807165497 /nfs/dbraw/zinc/16/54/97/807165497.db2.gz UETIUESDVCNBOM-GASCZTMLSA-N 2 1 290.476 3.444 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C2CCCCC2)CC1 ZINC001257457480 807167182 /nfs/dbraw/zinc/16/71/82/807167182.db2.gz GPZALEHCXFPIQO-UHFFFAOYSA-N 2 1 273.424 3.262 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC001257657807 807205206 /nfs/dbraw/zinc/20/52/06/807205206.db2.gz PUFGARIZKWUSQR-HOTGVXAUSA-N 2 1 278.465 3.165 20 0 CGADMP COC(=[NH2+])c1cccc(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001167626759 807219097 /nfs/dbraw/zinc/21/90/97/807219097.db2.gz SJPCJSOYJUBCKY-UHFFFAOYSA-N 2 1 289.423 3.143 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257826451 807222555 /nfs/dbraw/zinc/22/25/55/807222555.db2.gz UUSARDNHQSBFBK-FAEJEUNOSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCNc1cccn2cc[nH+]c12 ZINC001167752489 807242465 /nfs/dbraw/zinc/24/24/65/807242465.db2.gz UHPNUCPHVMUIKX-AWEZNQCLSA-N 2 1 272.396 3.011 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1cccn2cc[nH+]c12 ZINC001167752489 807242466 /nfs/dbraw/zinc/24/24/66/807242466.db2.gz UHPNUCPHVMUIKX-AWEZNQCLSA-N 2 1 272.396 3.011 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2CCC3(COC3)CC2)CC1 ZINC001257902450 807247697 /nfs/dbraw/zinc/24/76/97/807247697.db2.gz FYYHWUCRZYAPTP-KOMQPUFPSA-N 2 1 292.467 3.070 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001167839947 807260323 /nfs/dbraw/zinc/26/03/23/807260323.db2.gz CVFACSIBSSHJMG-INIZCTEOSA-N 3 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@H+](C)C2CC2)CC1 ZINC001167839947 807260331 /nfs/dbraw/zinc/26/03/31/807260331.db2.gz CVFACSIBSSHJMG-INIZCTEOSA-N 2 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001167839947 807260337 /nfs/dbraw/zinc/26/03/37/807260337.db2.gz CVFACSIBSSHJMG-INIZCTEOSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3sccc32)CC1 ZINC001258008811 807264048 /nfs/dbraw/zinc/26/40/48/807264048.db2.gz GEJNQMNTHYSYTM-OAHLLOKOSA-N 2 1 278.465 3.445 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc3ncoc32)CC1 ZINC001258005353 807264524 /nfs/dbraw/zinc/26/45/24/807264524.db2.gz PHGQTRNZLPPWRL-UHFFFAOYSA-N 2 1 287.407 3.038 20 0 CGADMP COc1cccc(C[N@H+](C)C2CC[NH+](CC(C)C)CC2)c1 ZINC001258014066 807266556 /nfs/dbraw/zinc/26/65/56/807266556.db2.gz DPIAUJWIHQQSJB-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP COc1cccc(C[N@@H+](C)C2CC[NH+](CC(C)C)CC2)c1 ZINC001258014066 807266564 /nfs/dbraw/zinc/26/65/64/807266564.db2.gz DPIAUJWIHQQSJB-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](C)C(F)(F)CC2)CC1 ZINC001258012085 807266708 /nfs/dbraw/zinc/26/67/08/807266708.db2.gz RZKJDJNOVHXRIF-CQSZACIVSA-N 2 1 288.426 3.474 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC001258017012 807267098 /nfs/dbraw/zinc/26/70/98/807267098.db2.gz QBKBYQBZPBJCCM-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001167896972 807268416 /nfs/dbraw/zinc/26/84/16/807268416.db2.gz GVVLRDIGEVKBID-IQRFUGTFSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001167896972 807268417 /nfs/dbraw/zinc/26/84/17/807268417.db2.gz GVVLRDIGEVKBID-IQRFUGTFSA-N 2 1 284.447 3.428 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC001258051111 807276450 /nfs/dbraw/zinc/27/64/50/807276450.db2.gz HZFBPJOEOXIKME-KBPBESRZSA-N 2 1 251.418 3.242 20 0 CGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167940996 807278016 /nfs/dbraw/zinc/27/80/16/807278016.db2.gz TYFHCYOQONCYEU-YVSFHVDLSA-N 2 1 262.441 3.125 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001258061115 807283699 /nfs/dbraw/zinc/28/36/99/807283699.db2.gz FXOHZRYOPGKCQS-FZKCQIBNSA-N 2 1 254.462 3.377 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001258061115 807283700 /nfs/dbraw/zinc/28/37/00/807283700.db2.gz FXOHZRYOPGKCQS-FZKCQIBNSA-N 2 1 254.462 3.377 20 0 CGADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167961294 807288657 /nfs/dbraw/zinc/28/86/57/807288657.db2.gz HNBBVICEQYRASG-MQVJKMGUSA-N 2 1 262.441 3.170 20 0 CGADMP FC(F)[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995745 807295335 /nfs/dbraw/zinc/29/53/35/807295335.db2.gz PNWKGRXLAASOAW-JZWPEALZSA-N 2 1 298.421 3.369 20 0 CGADMP CC[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995326 807295463 /nfs/dbraw/zinc/29/54/63/807295463.db2.gz ARJCARCKVPLMBT-PMRDEQMMSA-N 2 1 262.441 3.266 20 0 CGADMP c1ccc(CC[NH+]2CCC([N@@H+]3C[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001258140641 807318563 /nfs/dbraw/zinc/31/85/63/807318563.db2.gz ALRHXMVIQBMOHK-KDURUIRLSA-N 2 1 298.474 3.425 20 0 CGADMP c1ccc(CC[NH+]2CCC([N@H+]3C[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001258140641 807318573 /nfs/dbraw/zinc/31/85/73/807318573.db2.gz ALRHXMVIQBMOHK-KDURUIRLSA-N 2 1 298.474 3.425 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H](C)C[C@H](C)C3)C[C@@H]2C1 ZINC001258171273 807338533 /nfs/dbraw/zinc/33/85/33/807338533.db2.gz PRKMRBYIDDJSNZ-UYVKZUBASA-N 2 1 264.457 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3C[C@H](C)C[C@H](C)C3)C[C@@H]2C1 ZINC001258171273 807338541 /nfs/dbraw/zinc/33/85/41/807338541.db2.gz PRKMRBYIDDJSNZ-UYVKZUBASA-N 2 1 264.457 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3C[C@H](C)C[C@H](C)C3)C[C@@H]2C1 ZINC001258171273 807338546 /nfs/dbraw/zinc/33/85/46/807338546.db2.gz PRKMRBYIDDJSNZ-UYVKZUBASA-N 2 1 264.457 3.085 20 0 CGADMP CSCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258209635 807365919 /nfs/dbraw/zinc/36/59/19/807365919.db2.gz QLAVGMRPUUPBDD-CYBMUJFWSA-N 2 1 296.455 3.217 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CCC1(F)F ZINC001168313357 807378445 /nfs/dbraw/zinc/37/84/45/807378445.db2.gz ACBBRTWRIQJVIO-HSBZDZAISA-N 2 1 274.399 3.226 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001168315041 807379850 /nfs/dbraw/zinc/37/98/50/807379850.db2.gz PZLPLKPGAZPTPP-UHFFFAOYSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCC[C@@H]1C ZINC001168315534 807380346 /nfs/dbraw/zinc/38/03/46/807380346.db2.gz YBOAQXYBYKAEMR-FXQLRMTLSA-N 2 1 252.446 3.227 20 0 CGADMP C(C1CC1)[NH+]1CCC([NH+]2CCC3(CCC3)CC2)CC1 ZINC001168373770 807396066 /nfs/dbraw/zinc/39/60/66/807396066.db2.gz UHXWKSAOGPLSDO-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168374332 807398038 /nfs/dbraw/zinc/39/80/38/807398038.db2.gz ZBKWEFZDCAKFGY-UHFFFAOYSA-N 2 1 276.399 3.132 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168374332 807398047 /nfs/dbraw/zinc/39/80/47/807398047.db2.gz ZBKWEFZDCAKFGY-UHFFFAOYSA-N 2 1 276.399 3.132 20 0 CGADMP C(C1CC1)[NH+]1CCC([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001168389383 807401366 /nfs/dbraw/zinc/40/13/66/807401366.db2.gz NAPTYADIUPWNDV-IAGOWNOFSA-N 2 1 276.468 3.373 20 0 CGADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001168389383 807401371 /nfs/dbraw/zinc/40/13/71/807401371.db2.gz NAPTYADIUPWNDV-IAGOWNOFSA-N 2 1 276.468 3.373 20 0 CGADMP C[N@H+](Cc1ccsc1)C1CC[NH+](CC2CC2)CC1 ZINC001168392709 807402239 /nfs/dbraw/zinc/40/22/39/807402239.db2.gz SCJRHLHAVDFNHH-UHFFFAOYSA-N 2 1 264.438 3.054 20 0 CGADMP C[N@@H+](Cc1ccsc1)C1CC[NH+](CC2CC2)CC1 ZINC001168392709 807402243 /nfs/dbraw/zinc/40/22/43/807402243.db2.gz SCJRHLHAVDFNHH-UHFFFAOYSA-N 2 1 264.438 3.054 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2cc(F)ccc2C1 ZINC001168443580 807417048 /nfs/dbraw/zinc/41/70/48/807417048.db2.gz CVPZFEIKMNDCGY-SFHVURJKSA-N 2 1 292.442 3.347 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001258337759 807417061 /nfs/dbraw/zinc/41/70/61/807417061.db2.gz OPYGIQZSLDAERF-AWEZNQCLSA-N 2 1 296.524 3.324 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001258337759 807417064 /nfs/dbraw/zinc/41/70/64/807417064.db2.gz OPYGIQZSLDAERF-AWEZNQCLSA-N 2 1 296.524 3.324 20 0 CGADMP Cc1c2[nH+]c[nH]c2ccc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168549139 807442780 /nfs/dbraw/zinc/44/27/80/807442780.db2.gz KROPSWVIGLUMGH-ZDUSSCGKSA-N 2 1 292.386 3.455 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258461870 807465088 /nfs/dbraw/zinc/46/50/88/807465088.db2.gz QCSAVEWMOQIPFE-CWRNSKLLSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258461870 807465095 /nfs/dbraw/zinc/46/50/95/807465095.db2.gz QCSAVEWMOQIPFE-CWRNSKLLSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H](CC1CC1)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001258461870 807465100 /nfs/dbraw/zinc/46/51/00/807465100.db2.gz QCSAVEWMOQIPFE-CWRNSKLLSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H](CC1CC1)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001258461870 807465105 /nfs/dbraw/zinc/46/51/05/807465105.db2.gz QCSAVEWMOQIPFE-CWRNSKLLSA-N 2 1 290.476 3.300 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CC2CC2)CC1 ZINC001258473091 807471630 /nfs/dbraw/zinc/47/16/30/807471630.db2.gz QYGCGUUSZRHGOW-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP CCCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258666757 807535027 /nfs/dbraw/zinc/53/50/27/807535027.db2.gz KOSOEIUJIQRGCN-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001258701873 807555986 /nfs/dbraw/zinc/55/59/86/807555986.db2.gz NSFZOILDLOKQSP-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)n1c[nH+]cc1CC[NH3+] ZINC001169050282 807560016 /nfs/dbraw/zinc/56/00/16/807560016.db2.gz OSUDCWNPXLJDAS-QGZVFWFLSA-N 2 1 271.408 3.214 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1c(F)cccc1Cl)C2 ZINC001169081292 807568999 /nfs/dbraw/zinc/56/89/99/807568999.db2.gz PZJZMJXSQVBBQL-CLLJXQQHSA-N 2 1 296.817 3.236 20 0 CGADMP Cc1cc(F)cc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090899 807571321 /nfs/dbraw/zinc/57/13/21/807571321.db2.gz NMJJCAWFRWBETP-PHZGNYQRSA-N 2 1 276.399 3.157 20 0 CGADMP C[C@H]([NH3+])c1ccc2c(ccn2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095701 807573123 /nfs/dbraw/zinc/57/31/23/807573123.db2.gz RRAXARVGPUEFGL-KKBVYLPWSA-N 2 1 283.419 3.459 20 0 CGADMP Cc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096891 807573638 /nfs/dbraw/zinc/57/36/38/807573638.db2.gz ZKLXWPSXODLYQK-PHZGNYQRSA-N 2 1 278.827 3.363 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001169093455 807573659 /nfs/dbraw/zinc/57/36/59/807573659.db2.gz HUNLLMINKBHKEK-BCDXTJNWSA-N 2 1 272.436 3.061 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001169100337 807576077 /nfs/dbraw/zinc/57/60/77/807576077.db2.gz JJCQDYDHRLPMNA-QCODTGAPSA-N 2 1 264.457 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1cccc(Cl)c1)C2 ZINC001169101396 807579602 /nfs/dbraw/zinc/57/96/02/807579602.db2.gz SKPVSENWEYDGMN-OSYLJGHBSA-N 2 1 292.854 3.487 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(F)c(Cl)c1)C2 ZINC001169116316 807580776 /nfs/dbraw/zinc/58/07/76/807580776.db2.gz PWJCOWUZGUWERM-ZSBIGDGJSA-N 2 1 295.789 3.019 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001169114820 807581946 /nfs/dbraw/zinc/58/19/46/807581946.db2.gz YYFUKVSPROZYAA-KYHPRHEASA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001169114820 807581951 /nfs/dbraw/zinc/58/19/51/807581951.db2.gz YYFUKVSPROZYAA-KYHPRHEASA-N 2 1 287.451 3.384 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C[NH3+])cc3cccc(F)c31)C2 ZINC001169122604 807582970 /nfs/dbraw/zinc/58/29/70/807582970.db2.gz BIKFUFHDNUCBMP-BTTYYORXSA-N 2 1 287.382 3.037 20 0 CGADMP Cc1ccccc1C(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118733 807583083 /nfs/dbraw/zinc/58/30/83/807583083.db2.gz MLHQEDXFTDQRCC-MUJYYYPQSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1cccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169123627 807585971 /nfs/dbraw/zinc/58/59/71/807585971.db2.gz LKVJHWPYTKRAET-BJWYYQGGSA-N 2 1 270.420 3.199 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)n1cc[nH+]c1CCC[NH3+] ZINC001258743531 807587750 /nfs/dbraw/zinc/58/77/50/807587750.db2.gz GBOTUCOLEKDFMR-LBPRGKRZSA-N 2 1 277.799 3.232 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169143364 807590717 /nfs/dbraw/zinc/59/07/17/807590717.db2.gz FKJKXTURGZOHHM-PIIMJCKOSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1cccc(CC[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169143364 807590718 /nfs/dbraw/zinc/59/07/18/807590718.db2.gz FKJKXTURGZOHHM-PIIMJCKOSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1cccc(CC[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169143364 807590722 /nfs/dbraw/zinc/59/07/22/807590722.db2.gz FKJKXTURGZOHHM-PIIMJCKOSA-N 2 1 272.436 3.095 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001169142808 807590998 /nfs/dbraw/zinc/59/09/98/807590998.db2.gz WCQKTKWUCLXRBS-OKYOBFRVSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001169142808 807591000 /nfs/dbraw/zinc/59/10/00/807591000.db2.gz WCQKTKWUCLXRBS-OKYOBFRVSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001169142808 807591005 /nfs/dbraw/zinc/59/10/05/807591005.db2.gz WCQKTKWUCLXRBS-OKYOBFRVSA-N 2 1 284.447 3.491 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169145568 807592710 /nfs/dbraw/zinc/59/27/10/807592710.db2.gz NAFRSGWXYLHKPO-BCDXTJNWSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145568 807592715 /nfs/dbraw/zinc/59/27/15/807592715.db2.gz NAFRSGWXYLHKPO-BCDXTJNWSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145568 807592720 /nfs/dbraw/zinc/59/27/20/807592720.db2.gz NAFRSGWXYLHKPO-BCDXTJNWSA-N 2 1 272.436 3.095 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169145927 807592792 /nfs/dbraw/zinc/59/27/92/807592792.db2.gz NIPAJVMDSHSRFC-SIXLDLHFSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145927 807592795 /nfs/dbraw/zinc/59/27/95/807592795.db2.gz NIPAJVMDSHSRFC-SIXLDLHFSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145927 807592801 /nfs/dbraw/zinc/59/28/01/807592801.db2.gz NIPAJVMDSHSRFC-SIXLDLHFSA-N 2 1 288.435 3.313 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](c2cccnc2C)C2CC2)CC1 ZINC001258770198 807603591 /nfs/dbraw/zinc/60/35/91/807603591.db2.gz GXSIRQSZQOVZPT-SFHVURJKSA-N 2 1 287.451 3.305 20 0 CGADMP CCCN1CCC([N@@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001258776173 807606699 /nfs/dbraw/zinc/60/66/99/807606699.db2.gz WQYBQKKWWZQDJD-GOSISDBHSA-N 2 1 287.451 3.401 20 0 CGADMP CCCN1CCC([N@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001258776173 807606704 /nfs/dbraw/zinc/60/67/04/807606704.db2.gz WQYBQKKWWZQDJD-GOSISDBHSA-N 2 1 287.451 3.401 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001258776173 807606708 /nfs/dbraw/zinc/60/67/08/807606708.db2.gz WQYBQKKWWZQDJD-GOSISDBHSA-N 2 1 287.451 3.401 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001258776173 807606712 /nfs/dbraw/zinc/60/67/12/807606712.db2.gz WQYBQKKWWZQDJD-GOSISDBHSA-N 2 1 287.451 3.401 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001169229872 807609681 /nfs/dbraw/zinc/60/96/81/807609681.db2.gz INBSYSQIZLRDOK-MRXNPFEDSA-N 2 1 293.842 3.260 20 0 CGADMP C[C@@H]1CCC[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001258812192 807630051 /nfs/dbraw/zinc/63/00/51/807630051.db2.gz IQVMHRFEJQZXNF-KONPQCLYSA-N 2 1 294.483 3.316 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1cccn1C1CC1)C(C)C ZINC001261255430 807721984 /nfs/dbraw/zinc/72/19/84/807721984.db2.gz YEPBZDUIEBCHBN-UHFFFAOYSA-N 2 1 277.456 3.422 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090503 807755290 /nfs/dbraw/zinc/75/52/90/807755290.db2.gz LVDJSYYDHXJEBG-YESZJQIVSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090503 807755294 /nfs/dbraw/zinc/75/52/94/807755294.db2.gz LVDJSYYDHXJEBG-YESZJQIVSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090503 807755297 /nfs/dbraw/zinc/75/52/97/807755297.db2.gz LVDJSYYDHXJEBG-YESZJQIVSA-N 2 1 266.473 3.475 20 0 CGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 ZINC001170115950 807762933 /nfs/dbraw/zinc/76/29/33/807762933.db2.gz BWJJSHRXNJEFJP-CABCVRRESA-N 2 1 288.435 3.134 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170119412 807765555 /nfs/dbraw/zinc/76/55/55/807765555.db2.gz AELUDRZIFHZMSZ-LAQRGFTBSA-N 2 1 287.451 3.342 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CCO1 ZINC001170183430 807787908 /nfs/dbraw/zinc/78/79/08/807787908.db2.gz SASPOBOGRIERST-RYQLBKOJSA-N 2 1 290.451 3.041 20 0 CGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCCOCC1 ZINC001170776415 807905251 /nfs/dbraw/zinc/90/52/51/807905251.db2.gz RBEVSAZRRLNAIL-MRXNPFEDSA-N 2 1 270.461 3.047 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170897201 807928566 /nfs/dbraw/zinc/92/85/66/807928566.db2.gz MJQPOFNLHFWOOB-CQSZACIVSA-N 2 1 280.843 3.258 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170941415 807940517 /nfs/dbraw/zinc/94/05/17/807940517.db2.gz DPGFPWDFSVBYMR-HNNXBMFYSA-N 2 1 294.870 3.471 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171019054 807962312 /nfs/dbraw/zinc/96/23/12/807962312.db2.gz VNZUEVPSFJSACO-OAHLLOKOSA-N 2 1 292.854 3.271 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171116262 807988862 /nfs/dbraw/zinc/98/88/62/807988862.db2.gz MEZWDJGMZYFYDR-JLZZUVOBSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171116262 807988868 /nfs/dbraw/zinc/98/88/68/807988868.db2.gz MEZWDJGMZYFYDR-JLZZUVOBSA-N 2 1 292.854 3.127 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001171665135 808117043 /nfs/dbraw/zinc/11/70/43/808117043.db2.gz KJQLRTAOIGDQMG-INIZCTEOSA-N 2 1 262.441 3.200 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2Cc3cccc(F)c3C2)[C@H](C)C1 ZINC001171790529 808140645 /nfs/dbraw/zinc/14/06/45/808140645.db2.gz NIXJVABISOXHLC-QIIPPGSGSA-N 2 1 290.426 3.001 20 0 CGADMP CC1(C)C[C@@H]([NH+]2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978182 808162546 /nfs/dbraw/zinc/16/25/46/808162546.db2.gz XBPDFRBWIGYPAM-KRWDZBQOSA-N 2 1 270.420 3.301 20 0 CGADMP CCc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100562 808171553 /nfs/dbraw/zinc/17/15/53/808171553.db2.gz FDILXTQILYRNOU-REPLKXPHSA-N 2 1 286.463 3.396 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172103480 808174564 /nfs/dbraw/zinc/17/45/64/808174564.db2.gz UVTZLRMGNKKNKM-OSYLJGHBSA-N 2 1 288.435 3.190 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1F ZINC001172104686 808174940 /nfs/dbraw/zinc/17/49/40/808174940.db2.gz FHBGIEILHXGXBH-QDMKHBRRSA-N 2 1 294.389 3.378 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1F ZINC001172104686 808174943 /nfs/dbraw/zinc/17/49/43/808174943.db2.gz FHBGIEILHXGXBH-QDMKHBRRSA-N 2 1 294.389 3.378 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC001172104219 808175012 /nfs/dbraw/zinc/17/50/12/808175012.db2.gz AUPZVIQJSXGIKH-MUJYYYPQSA-N 2 1 276.399 3.239 20 0 CGADMP Cc1ncccc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172108499 808175674 /nfs/dbraw/zinc/17/56/74/808175674.db2.gz AQCZHYGAJPYFOF-VXIBKDFQSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ncccc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172108499 808175678 /nfs/dbraw/zinc/17/56/78/808175678.db2.gz AQCZHYGAJPYFOF-VXIBKDFQSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001172108731 808175710 /nfs/dbraw/zinc/17/57/10/808175710.db2.gz DOHAROQQLLVYGE-BMFAXAFESA-N 2 1 299.462 3.446 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3cccnc31)C2 ZINC001172107454 808175811 /nfs/dbraw/zinc/17/58/11/808175811.db2.gz XUHFWTGZYGXDDR-WCXIOVBPSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3cccnc31)C2 ZINC001172107453 808176341 /nfs/dbraw/zinc/17/63/41/808176341.db2.gz XUHFWTGZYGXDDR-NXOAAHMSSA-N 2 1 285.435 3.064 20 0 CGADMP Cc1c(F)cccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172106021 808176372 /nfs/dbraw/zinc/17/63/72/808176372.db2.gz MKODUBBWRGGUFL-MUJYYYPQSA-N 2 1 276.399 3.239 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCc3ccccc31)C2 ZINC001172110654 808177676 /nfs/dbraw/zinc/17/76/76/808177676.db2.gz LEDSJGAPUMJOGM-ZJPYXAASSA-N 2 1 284.447 3.321 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)ccc31)C2 ZINC001172113006 808177860 /nfs/dbraw/zinc/17/78/60/808177860.db2.gz BRICJSVDOKUHPT-CUSZFKRNSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)ccc31)C2 ZINC001172113006 808177866 /nfs/dbraw/zinc/17/78/66/808177866.db2.gz BRICJSVDOKUHPT-CUSZFKRNSA-N 2 1 288.410 3.418 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC001172110920 808178744 /nfs/dbraw/zinc/17/87/44/808178744.db2.gz MABRGCRCRFOEQG-BJWYYQGGSA-N 2 1 299.462 3.027 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113159 808181268 /nfs/dbraw/zinc/18/12/68/808181268.db2.gz HHMDTMHXCUHGKM-ARILJUKYSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113159 808181270 /nfs/dbraw/zinc/18/12/70/808181270.db2.gz HHMDTMHXCUHGKM-ARILJUKYSA-N 2 1 250.430 3.026 20 0 CGADMP C[N@H+](CCc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122479 808184248 /nfs/dbraw/zinc/18/42/48/808184248.db2.gz BPWPBHUMHOQTKV-BCDXTJNWSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122479 808184249 /nfs/dbraw/zinc/18/42/49/808184249.db2.gz BPWPBHUMHOQTKV-BCDXTJNWSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122479 808184252 /nfs/dbraw/zinc/18/42/52/808184252.db2.gz BPWPBHUMHOQTKV-BCDXTJNWSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122479 808184253 /nfs/dbraw/zinc/18/42/53/808184253.db2.gz BPWPBHUMHOQTKV-BCDXTJNWSA-N 2 1 290.426 3.315 20 0 CGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2ccccc2)CC1 ZINC001172244095 808207880 /nfs/dbraw/zinc/20/78/80/808207880.db2.gz ZMDNZGLBBUMSBV-UHFFFAOYSA-N 2 1 290.451 3.012 20 0 CGADMP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001172394510 808284704 /nfs/dbraw/zinc/28/47/04/808284704.db2.gz VVMHPHFDVRSWLY-MRXNPFEDSA-N 2 1 275.440 3.156 20 0 CGADMP CCOCC[C@@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172418087 808301200 /nfs/dbraw/zinc/30/12/00/808301200.db2.gz BMYORVXEDHFLAZ-BFYDXBDKSA-N 2 1 282.472 3.316 20 0 CGADMP CC(C)OCC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172433052 808309486 /nfs/dbraw/zinc/30/94/86/808309486.db2.gz FQVPOHYHUDOGNU-OAHLLOKOSA-N 2 1 270.461 3.174 20 0 CGADMP C[N@@H+]([C@@H]1Cc2ccc(Cl)cc2C1)C1CCC([NH3+])CC1 ZINC001172709602 808413941 /nfs/dbraw/zinc/41/39/41/808413941.db2.gz CCJLUGAKKSVFME-UYSNPLJNSA-N 2 1 278.827 3.009 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172855829 808463561 /nfs/dbraw/zinc/46/35/61/808463561.db2.gz HZHSKMLFKPCNTH-IUODEOHRSA-N 2 1 298.833 3.484 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCn3c(C)ncc3C2)cc1 ZINC001173239647 808547254 /nfs/dbraw/zinc/54/72/54/808547254.db2.gz JQAMGYSYSBEADA-AWEZNQCLSA-N 2 1 283.419 3.201 20 0 CGADMP CCc1ccc(C[C@H](C)N2CCn3c(C)ncc3C2)cc1 ZINC001173239647 808547258 /nfs/dbraw/zinc/54/72/58/808547258.db2.gz JQAMGYSYSBEADA-AWEZNQCLSA-N 2 1 283.419 3.201 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001173246143 808553738 /nfs/dbraw/zinc/55/37/38/808553738.db2.gz WEXMQNYLFFBHJB-QAPCUYQASA-N 2 1 274.452 3.254 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)C1 ZINC001173278728 808581164 /nfs/dbraw/zinc/58/11/64/808581164.db2.gz ZRFQNBBEFGXWIZ-WCVJEAGWSA-N 2 1 252.446 3.274 20 0 CGADMP COC(=O)CCCC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173444252 808637205 /nfs/dbraw/zinc/63/72/05/808637205.db2.gz HCFLYMLBSLKWCS-JYJNAYRXSA-N 2 1 298.471 3.089 20 0 CGADMP CCc1cccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001275059070 808902003 /nfs/dbraw/zinc/90/20/03/808902003.db2.gz YYGMJPRNEMWQSM-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP CSCCC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275113022 808909111 /nfs/dbraw/zinc/90/91/11/808909111.db2.gz XXDPDGXSLXSDNO-UHFFFAOYSA-N 2 1 282.497 3.080 20 0 CGADMP CSCCC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275113022 808909120 /nfs/dbraw/zinc/90/91/20/808909120.db2.gz XXDPDGXSLXSDNO-UHFFFAOYSA-N 2 1 282.497 3.080 20 0 CGADMP COc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275253231 808924188 /nfs/dbraw/zinc/92/41/88/808924188.db2.gz YNEIFBHQJIQJOJ-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275253231 808924195 /nfs/dbraw/zinc/92/41/95/808924195.db2.gz YNEIFBHQJIQJOJ-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275253231 808924198 /nfs/dbraw/zinc/92/41/98/808924198.db2.gz YNEIFBHQJIQJOJ-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275253231 808924207 /nfs/dbraw/zinc/92/42/07/808924207.db2.gz YNEIFBHQJIQJOJ-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(C)c1 ZINC001275285459 808925239 /nfs/dbraw/zinc/92/52/39/808925239.db2.gz UEKPKQNYODUJLE-HDICACEKSA-N 2 1 286.463 3.385 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)c1 ZINC001275285459 808925249 /nfs/dbraw/zinc/92/52/49/808925249.db2.gz UEKPKQNYODUJLE-HDICACEKSA-N 2 1 286.463 3.385 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)c1 ZINC001275285459 808925259 /nfs/dbraw/zinc/92/52/59/808925259.db2.gz UEKPKQNYODUJLE-HDICACEKSA-N 2 1 286.463 3.385 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)ccc1O ZINC001275306089 808928954 /nfs/dbraw/zinc/92/89/54/808928954.db2.gz AHISQYCROSTQHD-UHFFFAOYSA-N 2 1 288.435 3.008 20 0 CGADMP CC(C)c1nc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cs1 ZINC001275674239 808957125 /nfs/dbraw/zinc/95/71/25/808957125.db2.gz CORHLSDXBWPXLU-UHFFFAOYSA-N 2 1 293.480 3.184 20 0 CGADMP CC(C)c1nc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cs1 ZINC001275674239 808957130 /nfs/dbraw/zinc/95/71/30/808957130.db2.gz CORHLSDXBWPXLU-UHFFFAOYSA-N 2 1 293.480 3.184 20 0 CGADMP CCOc1ccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001275841493 808970556 /nfs/dbraw/zinc/97/05/56/808970556.db2.gz VJJHHMSKZOPSNV-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001275841493 808970563 /nfs/dbraw/zinc/97/05/63/808970563.db2.gz VJJHHMSKZOPSNV-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001275841493 808970567 /nfs/dbraw/zinc/97/05/67/808970567.db2.gz VJJHHMSKZOPSNV-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001275841493 808970573 /nfs/dbraw/zinc/97/05/73/808970573.db2.gz VJJHHMSKZOPSNV-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc4ccccc4cn3)(C1)CCC2 ZINC001275891398 808974493 /nfs/dbraw/zinc/97/44/93/808974493.db2.gz ZLQDRIDTUMGSCV-RBUKOAKNSA-N 2 1 295.430 3.389 20 0 CGADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c[nH]1 ZINC001276101922 808987045 /nfs/dbraw/zinc/98/70/45/808987045.db2.gz QOJDDEGBYMBUSW-CALCHBBNSA-N 2 1 287.451 3.101 20 0 CGADMP c1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c[nH]1 ZINC001276101922 808987047 /nfs/dbraw/zinc/98/70/47/808987047.db2.gz QOJDDEGBYMBUSW-CALCHBBNSA-N 2 1 287.451 3.101 20 0 CGADMP c1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c[nH]1 ZINC001276101922 808987053 /nfs/dbraw/zinc/98/70/53/808987053.db2.gz QOJDDEGBYMBUSW-CALCHBBNSA-N 2 1 287.451 3.101 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276170111 808991162 /nfs/dbraw/zinc/99/11/62/808991162.db2.gz OMGXIRZPECDMNN-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276170111 808991169 /nfs/dbraw/zinc/99/11/69/808991169.db2.gz OMGXIRZPECDMNN-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276170111 808991174 /nfs/dbraw/zinc/99/11/74/808991174.db2.gz OMGXIRZPECDMNN-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276170111 808991181 /nfs/dbraw/zinc/99/11/81/808991181.db2.gz OMGXIRZPECDMNN-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276451709 809010086 /nfs/dbraw/zinc/01/00/86/809010086.db2.gz ATJMXBDGMYTYJN-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276451709 809010093 /nfs/dbraw/zinc/01/00/93/809010093.db2.gz ATJMXBDGMYTYJN-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276451709 809010100 /nfs/dbraw/zinc/01/01/00/809010100.db2.gz ATJMXBDGMYTYJN-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(C)cccc3F)(C1)CCC2 ZINC001276688138 809025052 /nfs/dbraw/zinc/02/50/52/809025052.db2.gz LXAJBAJMGWGLGH-DLBZAZTESA-N 2 1 276.399 3.289 20 0 CGADMP C[C@H](C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1)CC(F)(F)F ZINC001278183275 809118773 /nfs/dbraw/zinc/11/87/73/809118773.db2.gz DRFTUVCBBXVSAA-ZDUSSCGKSA-N 2 1 292.389 3.383 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001174703967 809137850 /nfs/dbraw/zinc/13/78/50/809137850.db2.gz ASKPNVPBYGZXIX-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@H](C)[C@H](C)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177009185 809774621 /nfs/dbraw/zinc/77/46/21/809774621.db2.gz ZKZGITQLGFCXPE-LUKYLMHMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](C)[C@H](C)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177009185 809774624 /nfs/dbraw/zinc/77/46/24/809774624.db2.gz ZKZGITQLGFCXPE-LUKYLMHMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](C)[C@H](C)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177009185 809774628 /nfs/dbraw/zinc/77/46/28/809774628.db2.gz ZKZGITQLGFCXPE-LUKYLMHMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](C)C[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001177256846 809790398 /nfs/dbraw/zinc/79/03/98/809790398.db2.gz OKSODPRHUGMTML-GOEBONIOSA-N 2 1 254.462 3.379 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C(C)(C)C)C2)CC1 ZINC001181195574 810042518 /nfs/dbraw/zinc/04/25/18/810042518.db2.gz AKNRVGQPUYVIBJ-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CCCC4)CC[C@H]21 ZINC001183370901 810146226 /nfs/dbraw/zinc/14/62/26/810146226.db2.gz MSIPNQGBSZIAET-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CCCC4)CC[C@H]21 ZINC001183370901 810146227 /nfs/dbraw/zinc/14/62/27/810146227.db2.gz MSIPNQGBSZIAET-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCCC4)CC[C@H]21 ZINC001183370901 810146228 /nfs/dbraw/zinc/14/62/28/810146228.db2.gz MSIPNQGBSZIAET-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCCC4)CC[C@H]21 ZINC001183370901 810146229 /nfs/dbraw/zinc/14/62/29/810146229.db2.gz MSIPNQGBSZIAET-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)s1 ZINC001183372261 810147690 /nfs/dbraw/zinc/14/76/90/810147690.db2.gz ZWGBKKZCBFVHMM-XJKSGUPXSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)s1 ZINC001183372261 810147692 /nfs/dbraw/zinc/14/76/92/810147692.db2.gz ZWGBKKZCBFVHMM-XJKSGUPXSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)s1 ZINC001183372261 810147696 /nfs/dbraw/zinc/14/76/96/810147696.db2.gz ZWGBKKZCBFVHMM-XJKSGUPXSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)s1 ZINC001183372261 810147698 /nfs/dbraw/zinc/14/76/98/810147698.db2.gz ZWGBKKZCBFVHMM-XJKSGUPXSA-N 2 1 278.465 3.227 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCc1cccc(F)c1 ZINC001196368018 811337028 /nfs/dbraw/zinc/33/70/28/811337028.db2.gz UIEVKROQLZABJL-UHFFFAOYSA-N 2 1 266.404 3.078 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCc1cccc(F)c1 ZINC001196368018 811337038 /nfs/dbraw/zinc/33/70/38/811337038.db2.gz UIEVKROQLZABJL-UHFFFAOYSA-N 2 1 266.404 3.078 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196788948 811367057 /nfs/dbraw/zinc/36/70/57/811367057.db2.gz FVRQNHUSELAPGO-WBVHZDCISA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1ccccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001196788948 811367066 /nfs/dbraw/zinc/36/70/66/811367066.db2.gz FVRQNHUSELAPGO-WBVHZDCISA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1ccccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001196788948 811367075 /nfs/dbraw/zinc/36/70/75/811367075.db2.gz FVRQNHUSELAPGO-WBVHZDCISA-N 2 1 272.436 3.194 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001197701198 811447582 /nfs/dbraw/zinc/44/75/82/811447582.db2.gz FMDNUYNVCTZIHX-RYQLBKOJSA-N 2 1 272.436 3.176 20 0 CGADMP CCc1ncc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC001199346100 811572961 /nfs/dbraw/zinc/57/29/61/811572961.db2.gz XBPDQQWQJNWHGN-CQSZACIVSA-N 2 1 295.496 3.307 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001200838489 811752304 /nfs/dbraw/zinc/75/23/04/811752304.db2.gz SBZBOIOBXJOUPA-RCCFBDPRSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001200838489 811752309 /nfs/dbraw/zinc/75/23/09/811752309.db2.gz SBZBOIOBXJOUPA-RCCFBDPRSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201442208 811850568 /nfs/dbraw/zinc/85/05/68/811850568.db2.gz UVHSDMXTVUJLOT-MSOLQXFVSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201442208 811850576 /nfs/dbraw/zinc/85/05/76/811850576.db2.gz UVHSDMXTVUJLOT-MSOLQXFVSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201442208 811850588 /nfs/dbraw/zinc/85/05/88/811850588.db2.gz UVHSDMXTVUJLOT-MSOLQXFVSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001201495571 811865175 /nfs/dbraw/zinc/86/51/75/811865175.db2.gz DXQOYANOMBUWNN-IAGOWNOFSA-N 2 1 264.457 3.397 20 0 CGADMP CC(C)=CCC[C@@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001201495571 811865183 /nfs/dbraw/zinc/86/51/83/811865183.db2.gz DXQOYANOMBUWNN-IAGOWNOFSA-N 2 1 264.457 3.397 20 0 CGADMP CC(C)=CCC[C@@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001201495571 811865191 /nfs/dbraw/zinc/86/51/91/811865191.db2.gz DXQOYANOMBUWNN-IAGOWNOFSA-N 2 1 264.457 3.397 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1Cl ZINC001203269827 812286100 /nfs/dbraw/zinc/28/61/00/812286100.db2.gz DVUDRCRAYDERJA-LBPRGKRZSA-N 2 1 254.805 3.078 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001203786587 812460438 /nfs/dbraw/zinc/46/04/38/812460438.db2.gz MTZUYVRKZCNNOJ-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204043374 812531781 /nfs/dbraw/zinc/53/17/81/812531781.db2.gz RFUKUFFMWMPOTE-UHFFFAOYSA-N 2 1 285.435 3.474 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)oc1C ZINC001204541989 812673010 /nfs/dbraw/zinc/67/30/10/812673010.db2.gz QWZGXDYPOFXVPO-HNNXBMFYSA-N 2 1 286.375 3.253 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)CC1(F)CC[NH2+]CC1 ZINC001204604377 812686736 /nfs/dbraw/zinc/68/67/36/812686736.db2.gz LCDRNKMAMUTZFN-UHFFFAOYSA-N 2 1 278.415 3.379 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@](C)([NH3+])C2)c(C)c1C ZINC001204790813 812738293 /nfs/dbraw/zinc/73/82/93/812738293.db2.gz MZYCODXRJZYHPQ-KRWDZBQOSA-N 2 1 260.425 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@](C)([NH3+])C2)c(C)c1C ZINC001204790813 812738297 /nfs/dbraw/zinc/73/82/97/812738297.db2.gz MZYCODXRJZYHPQ-KRWDZBQOSA-N 2 1 260.425 3.152 20 0 CGADMP Clc1ccc(C2=CC[N@@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC001204870445 812758386 /nfs/dbraw/zinc/75/83/86/812758386.db2.gz UKAHQXNFOUOPKD-UHFFFAOYSA-N 2 1 290.838 3.429 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870613 812759331 /nfs/dbraw/zinc/75/93/31/812759331.db2.gz YKOXMBSROXRILQ-INIZCTEOSA-N 2 1 292.467 3.467 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204938491 812786137 /nfs/dbraw/zinc/78/61/37/812786137.db2.gz MBVTYFHZNWFSTG-KRWDZBQOSA-N 2 1 298.471 3.093 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205075812 812849514 /nfs/dbraw/zinc/84/95/14/812849514.db2.gz OGOTYVDQGULCHV-LIRRHRJNSA-N 2 1 297.446 3.217 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205075812 812849524 /nfs/dbraw/zinc/84/95/24/812849524.db2.gz OGOTYVDQGULCHV-LIRRHRJNSA-N 2 1 297.446 3.217 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C)c3C)C[C@@H]2C1 ZINC001205095303 812861157 /nfs/dbraw/zinc/86/11/57/812861157.db2.gz BQDFCLBRRYRDJT-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C)c3C)C[C@@H]2C1 ZINC001205095303 812861166 /nfs/dbraw/zinc/86/11/66/812861166.db2.gz BQDFCLBRRYRDJT-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C)c3C)C[C@@H]2C1 ZINC001205095303 812861174 /nfs/dbraw/zinc/86/11/74/812861174.db2.gz BQDFCLBRRYRDJT-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c2ccccc12 ZINC001205095259 812862070 /nfs/dbraw/zinc/86/20/70/812862070.db2.gz WHUQGROXCIFUBM-HNNXBMFYSA-N 2 1 284.403 3.162 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1Cl ZINC001205117944 812874865 /nfs/dbraw/zinc/87/48/65/812874865.db2.gz ZIXSPEGAVHHISQ-CQSZACIVSA-N 2 1 296.842 3.440 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1Cl ZINC001205117944 812874872 /nfs/dbraw/zinc/87/48/72/812874872.db2.gz ZIXSPEGAVHHISQ-CQSZACIVSA-N 2 1 296.842 3.440 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124591 812879083 /nfs/dbraw/zinc/87/90/83/812879083.db2.gz WCJHAIHKPPAZKP-CQSZACIVSA-N 2 1 266.816 3.270 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(C(C)(C)C)CC1 ZINC001205164588 812894724 /nfs/dbraw/zinc/89/47/24/812894724.db2.gz INYLFCRZKJIRLG-GXTWGEPZSA-N 2 1 288.426 3.235 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164754 812895600 /nfs/dbraw/zinc/89/56/00/812895600.db2.gz RXGZWIXLKQTNCM-ZBFHGGJFSA-N 2 1 258.409 3.138 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265656 812921372 /nfs/dbraw/zinc/92/13/72/812921372.db2.gz QMSGYFQUWJXVMG-QGZVFWFLSA-N 2 1 271.408 3.180 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205265759 812921857 /nfs/dbraw/zinc/92/18/57/812921857.db2.gz REXKYWVBQVETCL-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205265759 812921865 /nfs/dbraw/zinc/92/18/65/812921865.db2.gz REXKYWVBQVETCL-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@](C)([NH3+])CC3)c[nH]c2c1 ZINC001205266488 812922468 /nfs/dbraw/zinc/92/24/68/812922468.db2.gz VGEIVXYMTVYKEB-KRWDZBQOSA-N 2 1 271.408 3.180 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273485 812926155 /nfs/dbraw/zinc/92/61/55/812926155.db2.gz LVBHGTMZQUXLNF-QGZVFWFLSA-N 2 1 276.424 3.179 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@](C)([NH3+])CC3)c21 ZINC001205274335 812926280 /nfs/dbraw/zinc/92/62/80/812926280.db2.gz VLHMCRWMXIWFLQ-KRWDZBQOSA-N 2 1 271.408 3.180 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205296096 812936048 /nfs/dbraw/zinc/93/60/48/812936048.db2.gz GREPWKSLYJYLCB-CRAIPNDOSA-N 2 1 274.452 3.269 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)CC(C)(C)C ZINC001205297132 812937328 /nfs/dbraw/zinc/93/73/28/812937328.db2.gz ZPUFJWPLWFUZDM-QLFBSQMISA-N 2 1 254.462 3.366 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C[C@H]1C[NH3+] ZINC001205303166 812940858 /nfs/dbraw/zinc/94/08/58/812940858.db2.gz ACLYJUKKBYJGSE-UKRRQHHQSA-N 2 1 286.394 3.396 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC001205303361 812941080 /nfs/dbraw/zinc/94/10/80/812941080.db2.gz CWUKOFBNJIQWED-OLZOCXBDSA-N 2 1 266.454 3.117 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C(C)C ZINC001205303837 812941914 /nfs/dbraw/zinc/94/19/14/812941914.db2.gz LLIREUZDHGHNQO-GOEBONIOSA-N 2 1 290.451 3.235 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205305003 812944268 /nfs/dbraw/zinc/94/42/68/812944268.db2.gz QMCAMWNATFZKCB-WMLDXEAASA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1C[NH3+] ZINC001205317173 812949755 /nfs/dbraw/zinc/94/97/55/812949755.db2.gz MYXGQIVZGMRMQX-RDTXWAMCSA-N 2 1 272.436 3.371 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205317957 812951089 /nfs/dbraw/zinc/95/10/89/812951089.db2.gz QZOCATYMQAAKAD-GXTWGEPZSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205317957 812951094 /nfs/dbraw/zinc/95/10/94/812951094.db2.gz QZOCATYMQAAKAD-GXTWGEPZSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c2ccccc12 ZINC001205324422 812954353 /nfs/dbraw/zinc/95/43/53/812954353.db2.gz BFOWOWACVOSGKX-HNNXBMFYSA-N 2 1 268.404 3.332 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)c2ccccc12 ZINC001205324425 812954840 /nfs/dbraw/zinc/95/48/40/812954840.db2.gz BFOWOWACVOSGKX-OAHLLOKOSA-N 2 1 268.404 3.332 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(C)s1 ZINC001205560080 813003366 /nfs/dbraw/zinc/00/33/66/813003366.db2.gz ZFARONZBGLLLCC-AWEZNQCLSA-N 2 1 270.417 3.018 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c3ccoc3ccc2F)CC1 ZINC001205591710 813014334 /nfs/dbraw/zinc/01/43/34/813014334.db2.gz OESLPCKHFKTEGI-INIZCTEOSA-N 2 1 294.345 3.225 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592038 813015016 /nfs/dbraw/zinc/01/50/16/813015016.db2.gz QLVRYVYPXWQVSB-INIZCTEOSA-N 2 1 282.378 3.095 20 0 CGADMP C[C@H]1CC[N@@H+](CCCCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205600402 813018329 /nfs/dbraw/zinc/01/83/29/813018329.db2.gz BFXGGZIQYAITEU-WMZOPIPTSA-N 2 1 274.452 3.316 20 0 CGADMP C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205603316 813019556 /nfs/dbraw/zinc/01/95/56/813019556.db2.gz OCTJEYISFDOUKT-DZGCQCFKSA-N 2 1 280.843 3.189 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205603939 813020447 /nfs/dbraw/zinc/02/04/47/813020447.db2.gz SOWHEFDYEMQZAI-DOTOQJQBSA-N 2 1 290.451 3.281 20 0 CGADMP C[N@@H+](C1CC1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC001205605492 813021420 /nfs/dbraw/zinc/02/14/20/813021420.db2.gz DBXRTRDJCZQIAN-UHFFFAOYSA-N 2 1 283.419 3.227 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1C ZINC001205605023 813021674 /nfs/dbraw/zinc/02/16/74/813021674.db2.gz YOFUXULYKAVFKN-HOCLYGCPSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c21 ZINC001205618581 813028357 /nfs/dbraw/zinc/02/83/57/813028357.db2.gz XHZNIZBERUQSJV-ZFWWWQNUSA-N 2 1 285.435 3.283 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205617690 813029809 /nfs/dbraw/zinc/02/98/09/813029809.db2.gz MJPMZXIAYPMRLM-CVEARBPZSA-N 2 1 290.451 3.282 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2coc3ccccc23)CC[C@H]1C[NH3+] ZINC001205625265 813032070 /nfs/dbraw/zinc/03/20/70/813032070.db2.gz AQJRCBRHMOWLSU-KBPBESRZSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205627543 813032092 /nfs/dbraw/zinc/03/20/92/813032092.db2.gz QKVZLCLCRGGOLL-DOMZBBRYSA-N 2 1 282.378 3.431 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205651837 813041853 /nfs/dbraw/zinc/04/18/53/813041853.db2.gz KMXAPIPNHHOVMK-KBPBESRZSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3ccoc32)CC[C@@H]1C[NH3+] ZINC001205651241 813042282 /nfs/dbraw/zinc/04/22/82/813042282.db2.gz BJEQMJNHDCVEHT-DZGCQCFKSA-N 2 1 272.392 3.240 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205651252 813043053 /nfs/dbraw/zinc/04/30/53/813043053.db2.gz BQGIQBURRABZEP-ZIAGYGMSSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@@H]1CCCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001205662909 813045795 /nfs/dbraw/zinc/04/57/95/813045795.db2.gz FHYSZGBDZBLVLQ-OAHLLOKOSA-N 2 1 297.446 3.367 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H](C)C(C)(C)C ZINC001205693238 813054529 /nfs/dbraw/zinc/05/45/29/813054529.db2.gz SCIKLDXQINLBRZ-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC(C)(C)Oc1ccccc1 ZINC001205692599 813054201 /nfs/dbraw/zinc/05/42/01/813054201.db2.gz GSQVLSAKVDPVTF-UHFFFAOYSA-N 2 1 278.440 3.118 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC001205716411 813059213 /nfs/dbraw/zinc/05/92/13/813059213.db2.gz IBVDGZTXIMCFNT-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC001205716411 813059221 /nfs/dbraw/zinc/05/92/21/813059221.db2.gz IBVDGZTXIMCFNT-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1cccc2c(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c[nH]c21 ZINC001205815158 813092635 /nfs/dbraw/zinc/09/26/35/813092635.db2.gz FOBAAZWOLNODME-XJKSGUPXSA-N 2 1 285.435 3.290 20 0 CGADMP CCc1cccc2c(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c[nH]c21 ZINC001205815158 813092642 /nfs/dbraw/zinc/09/26/42/813092642.db2.gz FOBAAZWOLNODME-XJKSGUPXSA-N 2 1 285.435 3.290 20 0 CGADMP C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826584 813099143 /nfs/dbraw/zinc/09/91/43/813099143.db2.gz ANGAEWZQVYTMOX-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826584 813099151 /nfs/dbraw/zinc/09/91/51/813099151.db2.gz ANGAEWZQVYTMOX-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826584 813099158 /nfs/dbraw/zinc/09/91/58/813099158.db2.gz ANGAEWZQVYTMOX-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826584 813099165 /nfs/dbraw/zinc/09/91/65/813099165.db2.gz ANGAEWZQVYTMOX-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(C)c1 ZINC001205901753 813122734 /nfs/dbraw/zinc/12/27/34/813122734.db2.gz GAOFZHKFQOOTOA-CVEARBPZSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001205902273 813124296 /nfs/dbraw/zinc/12/42/96/813124296.db2.gz JLLDMUMUYKBYIJ-CYBMUJFWSA-N 2 1 274.399 3.276 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001205902273 813124299 /nfs/dbraw/zinc/12/42/99/813124299.db2.gz JLLDMUMUYKBYIJ-CYBMUJFWSA-N 2 1 274.399 3.276 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cccc(Cl)c12 ZINC001205903050 813124464 /nfs/dbraw/zinc/12/44/64/813124464.db2.gz NFEANQQIIDYVJG-RYUDHWBXSA-N 2 1 291.826 3.381 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901961 813124763 /nfs/dbraw/zinc/12/47/63/813124763.db2.gz GLGWDZWGJJGREJ-HOCLYGCPSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccncc2)cc1 ZINC001205903286 813125078 /nfs/dbraw/zinc/12/50/78/813125078.db2.gz NZCGQXOQXMOROU-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205904622 813126858 /nfs/dbraw/zinc/12/68/58/813126858.db2.gz WDBPOSXFUCLUJP-JYJNAYRXSA-N 2 1 252.446 3.428 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1Cl ZINC001205912761 813129058 /nfs/dbraw/zinc/12/90/58/813129058.db2.gz CAXDCAAKVDJWAX-SWLSCSKDSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1Cl ZINC001205912761 813129062 /nfs/dbraw/zinc/12/90/62/813129062.db2.gz CAXDCAAKVDJWAX-SWLSCSKDSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(CC)c1O ZINC001205913711 813131596 /nfs/dbraw/zinc/13/15/96/813131596.db2.gz JFYXHAOOEIXOIY-DYVFJYSZSA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)CCC[C@@H]1C[NH3+] ZINC001205983969 813151424 /nfs/dbraw/zinc/15/14/24/813151424.db2.gz QOIPNQUORWIXIF-TZMCWYRMSA-N 2 1 274.399 3.119 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)CCC[C@@H]1C[NH3+] ZINC001205993168 813155154 /nfs/dbraw/zinc/15/51/54/813155154.db2.gz HKZDIPZHBLRTMT-GOEBONIOSA-N 2 1 299.418 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)CCC[C@@H]1C[NH3+] ZINC001205993578 813155332 /nfs/dbraw/zinc/15/53/32/813155332.db2.gz IDUNTILFOZMJAX-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cncc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206003450 813160970 /nfs/dbraw/zinc/16/09/70/813160970.db2.gz IECHKMCZUVLEBC-CABCVRRESA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001206011202 813163554 /nfs/dbraw/zinc/16/35/54/813163554.db2.gz AOWBHTKSQNCKNJ-IUODEOHRSA-N 2 1 282.378 3.431 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206013535 813164568 /nfs/dbraw/zinc/16/45/68/813164568.db2.gz RZXOBAJPKQZXQZ-AAEUAGOBSA-N 2 1 282.378 3.080 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206012545 813164590 /nfs/dbraw/zinc/16/45/90/813164590.db2.gz MDJMGKRZTIMRAD-PBHICJAKSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)CCC[C@@H]1C[NH3+] ZINC001206012061 813164745 /nfs/dbraw/zinc/16/47/45/813164745.db2.gz IPFFCLQVQKTFLX-GHMZBOCLSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3scnc3c2)CCC[C@@H]1C[NH3+] ZINC001206014159 813165964 /nfs/dbraw/zinc/16/59/64/813165964.db2.gz WDTIRTXQLQZUCP-TZMCWYRMSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3cccc(F)c3[nH]2)CCC[C@H]1C[NH3+] ZINC001206025179 813170068 /nfs/dbraw/zinc/17/00/68/813170068.db2.gz MQJJRVDPNBXKOU-OCCSQVGLSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206026917 813170484 /nfs/dbraw/zinc/17/04/84/813170484.db2.gz VAVZFEQBOOKZDT-ZFWWWQNUSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc(F)c1F ZINC001206026224 813170704 /nfs/dbraw/zinc/17/07/04/813170704.db2.gz QYVABJJVELVEBK-AAEUAGOBSA-N 2 1 282.378 3.080 20 0 CGADMP N[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153707 813215748 /nfs/dbraw/zinc/21/57/48/813215748.db2.gz FDLQTANCFOYSDC-QCEMKRCNSA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153707 813215751 /nfs/dbraw/zinc/21/57/51/813215751.db2.gz FDLQTANCFOYSDC-QCEMKRCNSA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153707 813215755 /nfs/dbraw/zinc/21/57/55/813215755.db2.gz FDLQTANCFOYSDC-QCEMKRCNSA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCC2CCCCC2)CC[C@H]1F ZINC001206156259 813216685 /nfs/dbraw/zinc/21/66/85/813216685.db2.gz PMUHYGCVNWMHPV-HUUCEWRRSA-N 2 1 256.409 3.108 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCC2CCCCC2)CC[C@H]1F ZINC001206156259 813216688 /nfs/dbraw/zinc/21/66/88/813216688.db2.gz PMUHYGCVNWMHPV-HUUCEWRRSA-N 2 1 256.409 3.108 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206164889 813222291 /nfs/dbraw/zinc/22/22/91/813222291.db2.gz LNTFAZRHCFHYBG-HZPDHXFCSA-N 2 1 278.415 3.245 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1OC(C)C ZINC001206183732 813230687 /nfs/dbraw/zinc/23/06/87/813230687.db2.gz HADFOTBWPFDDPS-JKSUJKDBSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1OC(C)C ZINC001206183732 813230691 /nfs/dbraw/zinc/23/06/91/813230691.db2.gz HADFOTBWPFDDPS-JKSUJKDBSA-N 2 1 294.414 3.043 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc3sccc32)CC[C@H]1F ZINC001206200143 813236816 /nfs/dbraw/zinc/23/68/16/813236816.db2.gz QQFNCAXFTSRYPL-KGLIPLIRSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3sccc32)CC[C@H]1F ZINC001206200143 813236818 /nfs/dbraw/zinc/23/68/18/813236818.db2.gz QQFNCAXFTSRYPL-KGLIPLIRSA-N 2 1 278.396 3.163 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269543 813265586 /nfs/dbraw/zinc/26/55/86/813265586.db2.gz QJVSPVGNIBLVRL-GFCCVEGCSA-N 2 1 274.433 3.251 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269543 813265591 /nfs/dbraw/zinc/26/55/91/813265591.db2.gz QJVSPVGNIBLVRL-GFCCVEGCSA-N 2 1 274.433 3.251 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001206276567 813267817 /nfs/dbraw/zinc/26/78/17/813267817.db2.gz GLCVMYQIGNTFMP-INIZCTEOSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001206276567 813267821 /nfs/dbraw/zinc/26/78/21/813267821.db2.gz GLCVMYQIGNTFMP-INIZCTEOSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC001206303138 813279049 /nfs/dbraw/zinc/27/90/49/813279049.db2.gz BMYHTBNAYPMVLV-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc2c1 ZINC001206304335 813280167 /nfs/dbraw/zinc/28/01/67/813280167.db2.gz IWWQMHGDVMOYPQ-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC001206305422 813282265 /nfs/dbraw/zinc/28/22/65/813282265.db2.gz YYWIGBCUAXJLCH-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311414 813284656 /nfs/dbraw/zinc/28/46/56/813284656.db2.gz OCNBCKZHVAFIBV-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)c1 ZINC001206325786 813290768 /nfs/dbraw/zinc/29/07/68/813290768.db2.gz JVPNHZFIXFCMAJ-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP COc1cccc(CCC[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206541779 813343906 /nfs/dbraw/zinc/34/39/06/813343906.db2.gz KCSWQJHUDALNOL-GOSISDBHSA-N 2 1 290.451 3.079 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cccnc3c2)C1 ZINC001206549583 813347894 /nfs/dbraw/zinc/34/78/94/813347894.db2.gz OXMZNRBQQMYKFI-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC001206548773 813348206 /nfs/dbraw/zinc/34/82/06/813348206.db2.gz ISDYTMVPDJANMN-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206549959 813348460 /nfs/dbraw/zinc/34/84/60/813348460.db2.gz RZPCGWISNPMLQL-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c[nH]c21 ZINC001206549851 813348665 /nfs/dbraw/zinc/34/86/65/813348665.db2.gz RAVBUFKUVBSTPA-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC001206549860 813349141 /nfs/dbraw/zinc/34/91/41/813349141.db2.gz REYVJNDKRIQNGR-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001206550201 813349328 /nfs/dbraw/zinc/34/93/28/813349328.db2.gz XKXXNLDGCAFQEG-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001206564171 813355698 /nfs/dbraw/zinc/35/56/98/813355698.db2.gz LZGUDKHUCSHQQJ-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cnc1C1CC1 ZINC001206572188 813357361 /nfs/dbraw/zinc/35/73/61/813357361.db2.gz BZKHIEHAEBIJMW-SFHVURJKSA-N 2 1 287.451 3.218 20 0 CGADMP COc1cc(C)cc(F)c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206574730 813359158 /nfs/dbraw/zinc/35/91/58/813359158.db2.gz UMGRJHIZIDDIJI-QGZVFWFLSA-N 2 1 294.414 3.094 20 0 CGADMP COc1cc(C)cc(F)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206574730 813359164 /nfs/dbraw/zinc/35/91/64/813359164.db2.gz UMGRJHIZIDDIJI-QGZVFWFLSA-N 2 1 294.414 3.094 20 0 CGADMP Cc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206579955 813362281 /nfs/dbraw/zinc/36/22/81/813362281.db2.gz BNMCFUBIIRGQOY-QGZVFWFLSA-N 2 1 260.425 3.348 20 0 CGADMP Cc1noc2ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc12 ZINC001206581463 813362500 /nfs/dbraw/zinc/36/25/00/813362500.db2.gz JDHKMKPGGDDUPT-QGZVFWFLSA-N 2 1 287.407 3.087 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2c1CCN2)[C@H]1CCC[NH2+]CC1 ZINC001206599152 813369702 /nfs/dbraw/zinc/36/97/02/813369702.db2.gz PBZGKKPIPTWQOQ-INIZCTEOSA-N 2 1 287.451 3.007 20 0 CGADMP CNc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206599307 813369853 /nfs/dbraw/zinc/36/98/53/813369853.db2.gz QOQZLFACJMYRKD-QGZVFWFLSA-N 2 1 275.440 3.081 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c[nH]c21 ZINC001206616003 813375289 /nfs/dbraw/zinc/37/52/89/813375289.db2.gz LMYHJXSRPAHKEK-AWEZNQCLSA-N 2 1 271.408 3.037 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206616964 813376113 /nfs/dbraw/zinc/37/61/13/813376113.db2.gz VJTAFFDMQYARAE-OAHLLOKOSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206624028 813378750 /nfs/dbraw/zinc/37/87/50/813378750.db2.gz QPYPBXUEVANLAW-HNNXBMFYSA-N 2 1 299.418 3.211 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2ccccc2CCc2ccccc2)C1 ZINC001206736386 813412624 /nfs/dbraw/zinc/41/26/24/813412624.db2.gz DSTFOQNUKBXFGY-UHFFFAOYSA-N 2 1 294.442 3.252 20 0 CGADMP CCc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(CC)c1O ZINC001206772143 813433410 /nfs/dbraw/zinc/43/34/10/813433410.db2.gz YPPZJIZRHGHKGJ-KBPBESRZSA-N 2 1 290.451 3.076 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206812277 813445760 /nfs/dbraw/zinc/44/57/60/813445760.db2.gz YYHNVCCFJCTLMO-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccnc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001206853874 813452960 /nfs/dbraw/zinc/45/29/60/813452960.db2.gz GRMSWWQCQJEOOV-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1ccnc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001206853874 813452962 /nfs/dbraw/zinc/45/29/62/813452962.db2.gz GRMSWWQCQJEOOV-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207178555 813506982 /nfs/dbraw/zinc/50/69/82/813506982.db2.gz WCFRZNBRPASKEC-HOCLYGCPSA-N 2 1 280.843 3.327 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@H]3[C@H](C2)CCCN3C)C1(C)C ZINC001207275421 813530390 /nfs/dbraw/zinc/53/03/90/813530390.db2.gz IVXFQEDCSPVGJG-BBWFWOEESA-N 2 1 276.468 3.395 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)CC(C)(C)C[NH+](C)C ZINC001207287367 813535637 /nfs/dbraw/zinc/53/56/37/813535637.db2.gz CLWWGUUOEIMPCQ-UHFFFAOYSA-N 2 1 278.440 3.105 20 0 CGADMP C[Si](C)(C)C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207438228 813566148 /nfs/dbraw/zinc/56/61/48/813566148.db2.gz ZHXNJYSWMVMXCM-UHFFFAOYSA-N 2 1 290.527 3.366 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001207486048 813572649 /nfs/dbraw/zinc/57/26/49/813572649.db2.gz CHMQYFRNWAWMMH-AWEZNQCLSA-N 2 1 279.453 3.012 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001207523480 813588101 /nfs/dbraw/zinc/58/81/01/813588101.db2.gz IWSONZMTYLGCIM-RTBURBONSA-N 2 1 286.463 3.236 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC001207592911 813604962 /nfs/dbraw/zinc/60/49/62/813604962.db2.gz LPSHLJOAVIJVFH-UHFFFAOYSA-N 2 1 268.832 3.156 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC001207615486 813615341 /nfs/dbraw/zinc/61/53/41/813615341.db2.gz XGAZWRNLCPZWHG-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP C[N@@H+](C[C@H]1CCCCO1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207963257 813680917 /nfs/dbraw/zinc/68/09/17/813680917.db2.gz DWJVYLCLYYZRSF-GOSISDBHSA-N 2 1 294.483 3.284 20 0 CGADMP CC1(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCOCC1 ZINC001207968824 813682411 /nfs/dbraw/zinc/68/24/11/813682411.db2.gz QDHMEVQATWFJKT-QGZVFWFLSA-N 2 1 294.483 3.144 20 0 CGADMP CS[C@H](C)CC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208141353 813707076 /nfs/dbraw/zinc/70/70/76/813707076.db2.gz KBEBVMRWZAGCKG-CQSZACIVSA-N 2 1 272.502 3.180 20 0 CGADMP Cc1ccccc1C[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208107698 813694029 /nfs/dbraw/zinc/69/40/29/813694029.db2.gz YXYQPNQMFUIGOB-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108688 813694814 /nfs/dbraw/zinc/69/48/14/813694814.db2.gz YUICAFKHBXVCME-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001208113183 813695703 /nfs/dbraw/zinc/69/57/03/813695703.db2.gz DWLNVZRKNOCFGT-SFHVURJKSA-N 2 1 286.463 3.283 20 0 CGADMP CC[N@H+](Cc1ccncc1)CC1(C[NH+](C)C)CCCC1 ZINC001208182422 813734179 /nfs/dbraw/zinc/73/41/79/813734179.db2.gz RDBKTEQDDIRGHV-UHFFFAOYSA-N 2 1 275.440 3.026 20 0 CGADMP CC[N@@H+](Cc1ccncc1)CC1(C[NH+](C)C)CCCC1 ZINC001208182422 813734182 /nfs/dbraw/zinc/73/41/82/813734182.db2.gz RDBKTEQDDIRGHV-UHFFFAOYSA-N 2 1 275.440 3.026 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2c2ccncc2)CCCC1 ZINC001208190535 813738305 /nfs/dbraw/zinc/73/83/05/813738305.db2.gz GBBFLAWSEHZERC-QGZVFWFLSA-N 2 1 287.451 3.341 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605965 813770680 /nfs/dbraw/zinc/77/06/80/813770680.db2.gz CSLVUIDSTDVEMH-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605965 813770683 /nfs/dbraw/zinc/77/06/83/813770683.db2.gz CSLVUIDSTDVEMH-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605965 813770688 /nfs/dbraw/zinc/77/06/88/813770688.db2.gz CSLVUIDSTDVEMH-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605965 813770691 /nfs/dbraw/zinc/77/06/91/813770691.db2.gz CSLVUIDSTDVEMH-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP COc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208608329 813774564 /nfs/dbraw/zinc/77/45/64/813774564.db2.gz HFNMNRMDJQBPMQ-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208608329 813774571 /nfs/dbraw/zinc/77/45/71/813774571.db2.gz HFNMNRMDJQBPMQ-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)c1 ZINC001208608329 813774576 /nfs/dbraw/zinc/77/45/76/813774576.db2.gz HFNMNRMDJQBPMQ-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)c1 ZINC001208608329 813774584 /nfs/dbraw/zinc/77/45/84/813774584.db2.gz HFNMNRMDJQBPMQ-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001208607292 813775511 /nfs/dbraw/zinc/77/55/11/813775511.db2.gz LGWMNIOEAMITMN-RTBURBONSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001208607292 813775513 /nfs/dbraw/zinc/77/55/13/813775513.db2.gz LGWMNIOEAMITMN-RTBURBONSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001208607292 813775516 /nfs/dbraw/zinc/77/55/16/813775516.db2.gz LGWMNIOEAMITMN-RTBURBONSA-N 2 1 286.463 3.283 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208607255 813775584 /nfs/dbraw/zinc/77/55/84/813775584.db2.gz KXEFMZJHVQZZST-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208607255 813775590 /nfs/dbraw/zinc/77/55/90/813775590.db2.gz KXEFMZJHVQZZST-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208607255 813775595 /nfs/dbraw/zinc/77/55/95/813775595.db2.gz KXEFMZJHVQZZST-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208607255 813775601 /nfs/dbraw/zinc/77/56/01/813775601.db2.gz KXEFMZJHVQZZST-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001208607882 813775759 /nfs/dbraw/zinc/77/57/59/813775759.db2.gz OFPBDQSFPQLOQN-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001208607882 813775762 /nfs/dbraw/zinc/77/57/62/813775762.db2.gz OFPBDQSFPQLOQN-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001208607882 813775766 /nfs/dbraw/zinc/77/57/66/813775766.db2.gz OFPBDQSFPQLOQN-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001208607882 813775771 /nfs/dbraw/zinc/77/57/71/813775771.db2.gz OFPBDQSFPQLOQN-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)CC(C)(C)C ZINC001208665253 813788997 /nfs/dbraw/zinc/78/89/97/813788997.db2.gz PMRKGIWBSBTPOQ-WBVHZDCISA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)CC(C)(C)C ZINC001208665253 813789001 /nfs/dbraw/zinc/78/90/01/813789001.db2.gz PMRKGIWBSBTPOQ-WBVHZDCISA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC001208665253 813789005 /nfs/dbraw/zinc/78/90/05/813789005.db2.gz PMRKGIWBSBTPOQ-WBVHZDCISA-N 2 1 266.473 3.476 20 0 CGADMP CC1(C[NH+]2CCC([NH+]3CCC3)CC2)CCCCC1 ZINC001208907348 813895184 /nfs/dbraw/zinc/89/51/84/813895184.db2.gz IATLSTSWUUFKLU-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929135 813903802 /nfs/dbraw/zinc/90/38/02/813903802.db2.gz OFBVQFDMIBIZKB-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929135 813903809 /nfs/dbraw/zinc/90/38/09/813903809.db2.gz OFBVQFDMIBIZKB-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929135 813903814 /nfs/dbraw/zinc/90/38/14/813903814.db2.gz OFBVQFDMIBIZKB-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001208948326 813906269 /nfs/dbraw/zinc/90/62/69/813906269.db2.gz PONYMWXXBLGCMD-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC34CC4)C2)cc1 ZINC001208947869 813908880 /nfs/dbraw/zinc/90/88/80/813908880.db2.gz MZEUCBHLFPKNTC-KRWDZBQOSA-N 2 1 270.420 3.137 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC34CC4)C2)cc1 ZINC001208947869 813908884 /nfs/dbraw/zinc/90/88/84/813908884.db2.gz MZEUCBHLFPKNTC-KRWDZBQOSA-N 2 1 270.420 3.137 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCCC34CC4)C2)cc1 ZINC001208947869 813908886 /nfs/dbraw/zinc/90/88/86/813908886.db2.gz MZEUCBHLFPKNTC-KRWDZBQOSA-N 2 1 270.420 3.137 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCCC34CC4)C2)cc1 ZINC001208947869 813908889 /nfs/dbraw/zinc/90/88/89/813908889.db2.gz MZEUCBHLFPKNTC-KRWDZBQOSA-N 2 1 270.420 3.137 20 0 CGADMP COC1CCC(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001209394574 814012526 /nfs/dbraw/zinc/01/25/26/814012526.db2.gz ZRVILIOZQDAKHG-UHFFFAOYSA-N 2 1 296.499 3.244 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001209405689 814015368 /nfs/dbraw/zinc/01/53/68/814015368.db2.gz YVLNNCNUQHWAME-BJWYYQGGSA-N 2 1 296.499 3.386 20 0 CGADMP CC[N@@H+](Cc1c[nH]c2ccc(C)cc12)C1CCN(C)CC1 ZINC001209496323 814062601 /nfs/dbraw/zinc/06/26/01/814062601.db2.gz DUVXGHNFXKHGTD-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209692717 814113208 /nfs/dbraw/zinc/11/32/08/814113208.db2.gz SYJPDNVVFOFXOC-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209692717 814113215 /nfs/dbraw/zinc/11/32/15/814113215.db2.gz SYJPDNVVFOFXOC-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnccc2N)c1 ZINC001209728828 814122257 /nfs/dbraw/zinc/12/22/57/814122257.db2.gz VOSXWZDTBJIJLG-KRWDZBQOSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH+]ccc2N)c1 ZINC001209728828 814122260 /nfs/dbraw/zinc/12/22/60/814122260.db2.gz VOSXWZDTBJIJLG-KRWDZBQOSA-N 2 1 267.376 3.140 20 0 CGADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001209730687 814122611 /nfs/dbraw/zinc/12/26/11/814122611.db2.gz IHLZWLPUIWTOBB-GFCCVEGCSA-N 2 1 287.794 3.137 20 0 CGADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001209730687 814122617 /nfs/dbraw/zinc/12/26/17/814122617.db2.gz IHLZWLPUIWTOBB-GFCCVEGCSA-N 2 1 287.794 3.137 20 0 CGADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001209732130 814123970 /nfs/dbraw/zinc/12/39/70/814123970.db2.gz XGQQZTLLBYLWMO-CYBMUJFWSA-N 2 1 287.794 3.137 20 0 CGADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001209732130 814123978 /nfs/dbraw/zinc/12/39/78/814123978.db2.gz XGQQZTLLBYLWMO-CYBMUJFWSA-N 2 1 287.794 3.137 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476680 814479339 /nfs/dbraw/zinc/47/93/39/814479339.db2.gz XMAFDLDKLUWNLA-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H]1CC[N@H+](Cc2csc3ccccc23)CC[NH2+]1 ZINC001210498795 814491458 /nfs/dbraw/zinc/49/14/58/814491458.db2.gz RWKQBIQPAMERNU-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2csc3ccccc23)CC[NH2+]1 ZINC001210498795 814491460 /nfs/dbraw/zinc/49/14/60/814491460.db2.gz RWKQBIQPAMERNU-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP [NH3+]CCCCCCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001217823292 815970665 /nfs/dbraw/zinc/97/06/65/815970665.db2.gz QNEXMZSIXNPCLH-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001218484931 816239404 /nfs/dbraw/zinc/23/94/04/816239404.db2.gz MRYPECYWLHNTHQ-KXBFYZLASA-N 2 1 296.414 3.045 20 0 CGADMP Fc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001222141155 816357298 /nfs/dbraw/zinc/35/72/98/816357298.db2.gz GLEBMRFJPXHWPQ-INIZCTEOSA-N 2 1 296.817 3.097 20 0 CGADMP Fc1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001222141155 816357307 /nfs/dbraw/zinc/35/73/07/816357307.db2.gz GLEBMRFJPXHWPQ-INIZCTEOSA-N 2 1 296.817 3.097 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC001222141402 816357835 /nfs/dbraw/zinc/35/78/35/816357835.db2.gz KLGIIDDLLXFWCA-PBHICJAKSA-N 2 1 276.424 3.157 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148134 816359828 /nfs/dbraw/zinc/35/98/28/816359828.db2.gz LGVCYQWMPFIXNB-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148134 816359837 /nfs/dbraw/zinc/35/98/37/816359837.db2.gz LGVCYQWMPFIXNB-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222160269 816364433 /nfs/dbraw/zinc/36/44/33/816364433.db2.gz DLZSZQMDVHISAW-MRXNPFEDSA-N 2 1 278.465 3.494 20 0 CGADMP c1csc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160571 816366394 /nfs/dbraw/zinc/36/63/94/816366394.db2.gz GBMJSOJUBAVUKL-MRXNPFEDSA-N 2 1 278.465 3.494 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222230848 816380766 /nfs/dbraw/zinc/38/07/66/816380766.db2.gz FEVBOAXXUXBAFP-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237904 816382673 /nfs/dbraw/zinc/38/26/73/816382673.db2.gz WRSZTWARELPPFI-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237904 816382685 /nfs/dbraw/zinc/38/26/85/816382685.db2.gz WRSZTWARELPPFI-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP Oc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c2ccccc12 ZINC001222244053 816384641 /nfs/dbraw/zinc/38/46/41/816384641.db2.gz SKQYRHKECSIARX-IBGZPJMESA-N 2 1 296.414 3.263 20 0 CGADMP Oc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c2ccccc12 ZINC001222244053 816384647 /nfs/dbraw/zinc/38/46/47/816384647.db2.gz SKQYRHKECSIARX-IBGZPJMESA-N 2 1 296.414 3.263 20 0 CGADMP COc1cc(C)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001222249576 816386542 /nfs/dbraw/zinc/38/65/42/816386542.db2.gz UILNXACSFOOXBG-SFHVURJKSA-N 2 1 288.435 3.030 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001222249576 816386549 /nfs/dbraw/zinc/38/65/49/816386549.db2.gz UILNXACSFOOXBG-SFHVURJKSA-N 2 1 288.435 3.030 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001222252216 816387094 /nfs/dbraw/zinc/38/70/94/816387094.db2.gz AOJGVVGMUQHDFA-LJQANCHMSA-N 2 1 299.462 3.005 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001222252216 816387101 /nfs/dbraw/zinc/38/71/01/816387101.db2.gz AOJGVVGMUQHDFA-LJQANCHMSA-N 2 1 299.462 3.005 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2o1 ZINC001222278072 816392819 /nfs/dbraw/zinc/39/28/19/816392819.db2.gz XBBKWMMCMBVWRZ-GOSISDBHSA-N 2 1 284.403 3.398 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)[nH]1 ZINC001222308610 816403386 /nfs/dbraw/zinc/40/33/86/816403386.db2.gz KITLBEUCIFPJAD-GOSISDBHSA-N 2 1 289.467 3.420 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1C ZINC001222309253 816403697 /nfs/dbraw/zinc/40/36/97/816403697.db2.gz PADPQRQWQPVWPV-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1F ZINC001222308168 816403706 /nfs/dbraw/zinc/40/37/06/816403706.db2.gz HNYBUEWPLQARMU-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Clc1ccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222309238 816403859 /nfs/dbraw/zinc/40/38/59/816403859.db2.gz ORVPFYBGTCWGKM-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316422 816407126 /nfs/dbraw/zinc/40/71/26/816407126.db2.gz WDUDDDSGJZTRQL-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)s1 ZINC001222316788 816407598 /nfs/dbraw/zinc/40/75/98/816407598.db2.gz YLAMJOUTJDHUOR-MRXNPFEDSA-N 2 1 278.465 3.419 20 0 CGADMP COc1cccc(C)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321401 816408810 /nfs/dbraw/zinc/40/88/10/816408810.db2.gz VFZYOKRSQLVCBY-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP C[C@H](CC[NH+]1CC2(C1)CCC[NH2+]C2)CC(C)(C)C ZINC001222335489 816410814 /nfs/dbraw/zinc/41/08/14/816410814.db2.gz QPXQYEZMJZIOJV-CQSZACIVSA-N 2 1 252.446 3.134 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335381 816411067 /nfs/dbraw/zinc/41/10/67/816411067.db2.gz JSWKLKLRVMYKGW-INIZCTEOSA-N 2 1 296.499 3.293 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344834 816414436 /nfs/dbraw/zinc/41/44/36/816414436.db2.gz DOWQPMMWMYKLBA-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP CCc1cccc(C)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222360516 816419197 /nfs/dbraw/zinc/41/91/97/816419197.db2.gz QZACZGPHHYRSSS-SFHVURJKSA-N 2 1 272.436 3.275 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222360516 816419199 /nfs/dbraw/zinc/41/91/99/816419199.db2.gz QZACZGPHHYRSSS-SFHVURJKSA-N 2 1 272.436 3.275 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC12CCCCC2 ZINC001222402022 816433974 /nfs/dbraw/zinc/43/39/74/816433974.db2.gz WXKGZOXRLXHNNY-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465279 816451741 /nfs/dbraw/zinc/45/17/41/816451741.db2.gz MLKJUCLUERBOHU-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CCC(F)(C[NH3+])CC2)c1Cl ZINC001222553235 816466156 /nfs/dbraw/zinc/46/61/56/816466156.db2.gz PUZQSMXYBCAIFW-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620420 816478780 /nfs/dbraw/zinc/47/87/80/816478780.db2.gz RKODYZLUSZPQLO-SWLSCSKDSA-N 2 1 298.352 3.198 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615873 816479159 /nfs/dbraw/zinc/47/91/59/816479159.db2.gz SZXDHRLBGVEARK-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222630106 816483664 /nfs/dbraw/zinc/48/36/64/816483664.db2.gz YXAWNYLLFNEQAD-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP C[NH2+]Cc1ccc(-c2ccc3c(c2)C[N@H+](C)CC3)cc1 ZINC001242994693 823202954 /nfs/dbraw/zinc/20/29/54/823202954.db2.gz OQQDJKUADAUHMU-UHFFFAOYSA-N 2 1 266.388 3.061 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224926651 816910575 /nfs/dbraw/zinc/91/05/75/816910575.db2.gz ZHJACVJCTJZUHR-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP C1=C(c2cccc3c2C[N@@H+](Cc2ccccc2)C3)C[NH2+]C1 ZINC001243111488 823251009 /nfs/dbraw/zinc/25/10/09/823251009.db2.gz VHSIKZUFFUXFRG-UHFFFAOYSA-N 2 1 276.383 3.189 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(CC(C)C)cc3)C[C@@H]2C1 ZINC001231790464 818177400 /nfs/dbraw/zinc/17/74/00/818177400.db2.gz VEWYAEGLWDFTRM-KDURUIRLSA-N 2 1 286.463 3.269 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(CC(C)C)cc3)C[C@@H]2C1 ZINC001231790464 818177401 /nfs/dbraw/zinc/17/74/01/818177401.db2.gz VEWYAEGLWDFTRM-KDURUIRLSA-N 2 1 286.463 3.269 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(CC(C)C)cc3)C[C@@H]2C1 ZINC001231790464 818177402 /nfs/dbraw/zinc/17/74/02/818177402.db2.gz VEWYAEGLWDFTRM-KDURUIRLSA-N 2 1 286.463 3.269 20 0 CGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccs1 ZINC001232014360 818232456 /nfs/dbraw/zinc/23/24/56/818232456.db2.gz OLIKYAOVYGOOLO-UHFFFAOYSA-N 2 1 257.362 3.256 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C2CCCC2)c1 ZINC001232147124 818264082 /nfs/dbraw/zinc/26/40/82/818264082.db2.gz JIAUQJQEYBJSAU-UHFFFAOYSA-N 2 1 264.388 3.262 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001234990735 818970064 /nfs/dbraw/zinc/97/00/64/818970064.db2.gz FAERFRUIUUWNIO-IBGZPJMESA-N 2 1 297.446 3.237 20 0 CGADMP Cc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)c2ccccc12 ZINC001235006110 818976060 /nfs/dbraw/zinc/97/60/60/818976060.db2.gz DRRJGJQAPGTZMX-UHFFFAOYSA-N 2 1 266.388 3.071 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2CC(c1ccccc1)c1ccccc1 ZINC001235007498 818979212 /nfs/dbraw/zinc/97/92/12/818979212.db2.gz KWWHBHBKPYWYGW-UHFFFAOYSA-N 2 1 292.426 3.242 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC3(C[NH2+]C3)C2)cc1Cl ZINC001235024903 818980640 /nfs/dbraw/zinc/98/06/40/818980640.db2.gz RRVYYAXXUVBXFK-UHFFFAOYSA-N 2 1 299.245 3.221 20 0 CGADMP c1ccc(C(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC001235025909 818981785 /nfs/dbraw/zinc/98/17/85/818981785.db2.gz FZUQMUCEKGOKAX-AZUAARDMSA-N 2 1 292.426 3.112 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235026824 818982910 /nfs/dbraw/zinc/98/29/10/818982910.db2.gz TZCCBEXOOODGOS-UHFFFAOYSA-N 2 1 292.426 3.457 20 0 CGADMP Cc1ccc(-c2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235026824 818982913 /nfs/dbraw/zinc/98/29/13/818982913.db2.gz TZCCBEXOOODGOS-UHFFFAOYSA-N 2 1 292.426 3.457 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032323 818984347 /nfs/dbraw/zinc/98/43/47/818984347.db2.gz JYVDIBRIBLAJOE-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032323 818984352 /nfs/dbraw/zinc/98/43/52/818984352.db2.gz JYVDIBRIBLAJOE-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001235032575 818984856 /nfs/dbraw/zinc/98/48/56/818984856.db2.gz RGLBLOHHUJMGQF-HOCLYGCPSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)sc1C ZINC001235041214 818988829 /nfs/dbraw/zinc/98/88/29/818988829.db2.gz YGYVMOGTFKTDCK-INIZCTEOSA-N 2 1 278.465 3.473 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001235093131 818999583 /nfs/dbraw/zinc/99/95/83/818999583.db2.gz PPHDIPKJHKNBDH-CVEARBPZSA-N 2 1 262.441 3.054 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001235105650 819004267 /nfs/dbraw/zinc/00/42/67/819004267.db2.gz GOENLMINPRCEET-UHFFFAOYSA-N 2 1 288.479 3.421 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235112188 819007135 /nfs/dbraw/zinc/00/71/35/819007135.db2.gz YCJOJVWNWQSTBX-GOSISDBHSA-N 2 1 272.436 3.180 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235112188 819007141 /nfs/dbraw/zinc/00/71/41/819007141.db2.gz YCJOJVWNWQSTBX-GOSISDBHSA-N 2 1 272.436 3.180 20 0 CGADMP C[C@@H](C[N@@H+]1CCCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001235126598 819012314 /nfs/dbraw/zinc/01/23/14/819012314.db2.gz USIKWJSXGCIBOJ-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001235126598 819012319 /nfs/dbraw/zinc/01/23/19/819012319.db2.gz USIKWJSXGCIBOJ-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1C ZINC001235141627 819015656 /nfs/dbraw/zinc/01/56/56/819015656.db2.gz UOMMXWOCMKQBTA-UHFFFAOYSA-N 2 1 288.435 3.030 20 0 CGADMP Fc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001235160872 819019567 /nfs/dbraw/zinc/01/95/67/819019567.db2.gz ZYDSHGUKQPQHSD-MRXNPFEDSA-N 2 1 294.389 3.319 20 0 CGADMP CCc1cccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235176606 819026287 /nfs/dbraw/zinc/02/62/87/819026287.db2.gz CMFYYYIZSLSZOR-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235176606 819026293 /nfs/dbraw/zinc/02/62/93/819026293.db2.gz CMFYYYIZSLSZOR-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235210069 819037505 /nfs/dbraw/zinc/03/75/05/819037505.db2.gz JSTPLKJRWSBNEQ-BWTSREIZSA-N 2 1 278.399 3.051 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001235241535 819045958 /nfs/dbraw/zinc/04/59/58/819045958.db2.gz XLSNBFZVYNDXKH-HUUCEWRRSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001235241535 819045960 /nfs/dbraw/zinc/04/59/60/819045960.db2.gz XLSNBFZVYNDXKH-HUUCEWRRSA-N 2 1 298.352 3.061 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235254056 819050790 /nfs/dbraw/zinc/05/07/90/819050790.db2.gz AQBDDZUFJYLKHZ-WMLDXEAASA-N 2 1 292.382 3.380 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235254056 819050797 /nfs/dbraw/zinc/05/07/97/819050797.db2.gz AQBDDZUFJYLKHZ-WMLDXEAASA-N 2 1 292.382 3.380 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235274038 819060456 /nfs/dbraw/zinc/06/04/56/819060456.db2.gz UAERYQSZRMQFER-VQIMIIECSA-N 2 1 280.415 3.332 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283850 819060706 /nfs/dbraw/zinc/06/07/06/819060706.db2.gz HMSWQJJQUWXWEI-REPLKXPHSA-N 2 1 278.399 3.051 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235401018 819085619 /nfs/dbraw/zinc/08/56/19/819085619.db2.gz FQHAPHBHLOYLQM-MSOLQXFVSA-N 2 1 290.426 3.163 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1F ZINC001235433746 819095565 /nfs/dbraw/zinc/09/55/65/819095565.db2.gz OCPVWNAJISNMPE-UHFFFAOYSA-N 2 1 284.806 3.219 20 0 CGADMP C[N@H+](Cc1cc(Cl)c(F)cc1F)CC1CC[NH2+]CC1 ZINC001235433570 819096086 /nfs/dbraw/zinc/09/60/86/819096086.db2.gz MQYPSPULQKSBJJ-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP C[N@H+](Cc1cc2cc(Cl)ccc2[nH]1)CC1CC[NH2+]CC1 ZINC001235433049 819096215 /nfs/dbraw/zinc/09/62/15/819096215.db2.gz FPBVCPOTPILKDZ-UHFFFAOYSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1ccc(F)c(F)c1Cl)CC1CC[NH2+]CC1 ZINC001235433776 819096503 /nfs/dbraw/zinc/09/65/03/819096503.db2.gz PSRQEDVBOUHNSY-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1sccc1Oc1ccccc1 ZINC001235435394 819097494 /nfs/dbraw/zinc/09/74/94/819097494.db2.gz MILKKKUHEPOQOP-UHFFFAOYSA-N 2 1 276.405 3.321 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1sccc1Oc1ccccc1 ZINC001235435394 819097502 /nfs/dbraw/zinc/09/75/02/819097502.db2.gz MILKKKUHEPOQOP-UHFFFAOYSA-N 2 1 276.405 3.321 20 0 CGADMP CC(C)c1ccccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235434060 819098492 /nfs/dbraw/zinc/09/84/92/819098492.db2.gz ZSKJLCWJCKRAPI-UHFFFAOYSA-N 2 1 260.425 3.241 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235662880 819131582 /nfs/dbraw/zinc/13/15/82/819131582.db2.gz CTYAXVXOFLZTHZ-KRWDZBQOSA-N 2 1 260.425 3.288 20 0 CGADMP [NH3+]CCCC[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001235676624 819137148 /nfs/dbraw/zinc/13/71/48/819137148.db2.gz CBCUCAQFPZRFIB-OAHLLOKOSA-N 2 1 250.361 3.092 20 0 CGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001235676141 819137449 /nfs/dbraw/zinc/13/74/49/819137449.db2.gz XQEIZORMNAJZRC-GOSISDBHSA-N 2 1 296.414 3.107 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc2cc(O)ccc2c1 ZINC001235716493 819149701 /nfs/dbraw/zinc/14/97/01/819149701.db2.gz FNZOQXHYFQHKIG-UHFFFAOYSA-N 2 1 298.430 3.367 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC001235842588 819184000 /nfs/dbraw/zinc/18/40/00/819184000.db2.gz PICWZZDDFNYUOA-CVEARBPZSA-N 2 1 282.431 3.485 20 0 CGADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001235842620 819185391 /nfs/dbraw/zinc/18/53/91/819185391.db2.gz PYCUAGSDPBZIFT-OAHLLOKOSA-N 2 1 260.425 3.025 20 0 CGADMP c1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235929838 819227821 /nfs/dbraw/zinc/22/78/21/819227821.db2.gz UXEVPOYDDQMWLK-WOJBJXKFSA-N 2 1 292.426 3.395 20 0 CGADMP COCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001235945172 819235585 /nfs/dbraw/zinc/23/55/85/819235585.db2.gz BJHWMDDNFGMWCF-MRXNPFEDSA-N 2 1 294.483 3.069 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235950190 819239624 /nfs/dbraw/zinc/23/96/24/819239624.db2.gz UHVABTIWMBPRAH-CQSZACIVSA-N 2 1 296.414 3.491 20 0 CGADMP c1c(C[N@H+]2CC[C@@H]2c2ccccc2)sc2c1CC[NH2+]C2 ZINC001235949684 819239700 /nfs/dbraw/zinc/23/97/00/819239700.db2.gz QYMSNQHMHDIYTB-MRXNPFEDSA-N 2 1 284.428 3.341 20 0 CGADMP C[N@H+](Cc1c[nH]c2c1cccc2Cl)C[C@H]1CCC[NH2+]C1 ZINC001235952023 819241742 /nfs/dbraw/zinc/24/17/42/819241742.db2.gz WWGOOXINWISOGL-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957674 819245443 /nfs/dbraw/zinc/24/54/43/819245443.db2.gz RQEADJKBLSHIAO-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP COc1cc2ccccc2cc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957674 819245444 /nfs/dbraw/zinc/24/54/44/819245444.db2.gz RQEADJKBLSHIAO-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)C[C@@H]1CCC[NH2+]C1 ZINC001235957865 819245492 /nfs/dbraw/zinc/24/54/92/819245492.db2.gz VJDRKVJZEFGYBT-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235963788 819253019 /nfs/dbraw/zinc/25/30/19/819253019.db2.gz VFTSZNRLRYSIAJ-VMPITWQZSA-N 2 1 278.399 3.435 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001236059406 819292859 /nfs/dbraw/zinc/29/28/59/819292859.db2.gz HJDPGGHMZDSBAE-LJQANCHMSA-N 2 1 295.430 3.101 20 0 CGADMP [NH3+]Cc1cccc(C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001236078026 819304687 /nfs/dbraw/zinc/30/46/87/819304687.db2.gz CECPVENJVRCFLY-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001236078026 819304693 /nfs/dbraw/zinc/30/46/93/819304693.db2.gz CECPVENJVRCFLY-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2-c2ccccc2)C[C@@H]1[NH3+] ZINC001236092854 819310079 /nfs/dbraw/zinc/31/00/79/819310079.db2.gz FKDDFWWAGDLXFN-KDOFPFPSSA-N 2 1 266.388 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)C[C@@H]1[NH3+] ZINC001236092854 819310084 /nfs/dbraw/zinc/31/00/84/819310084.db2.gz FKDDFWWAGDLXFN-KDOFPFPSSA-N 2 1 266.388 3.133 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCc2ccccc2)CCC[NH2+]1 ZINC001236098954 819316281 /nfs/dbraw/zinc/31/62/81/819316281.db2.gz VTWOQVTWDNADST-INIZCTEOSA-N 2 1 260.425 3.083 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCC[NH3+])c(C)c1Cl ZINC001236141033 819341006 /nfs/dbraw/zinc/34/10/06/819341006.db2.gz DBTFCXTUZNQSEV-UHFFFAOYSA-N 2 1 254.805 3.128 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)C(C)(C)Cc1ccccc1 ZINC001236155571 819349047 /nfs/dbraw/zinc/34/90/47/819349047.db2.gz OXICCKPJEPNBMY-UHFFFAOYSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c(C)c1F)C1CC[NH2+]CC1 ZINC001236182554 819360744 /nfs/dbraw/zinc/36/07/44/819360744.db2.gz RCGXXLKAMBSAGZ-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)c(C)c1F)C1CC[NH2+]CC1 ZINC001236182554 819360752 /nfs/dbraw/zinc/36/07/52/819360752.db2.gz RCGXXLKAMBSAGZ-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236211052 819371483 /nfs/dbraw/zinc/37/14/83/819371483.db2.gz GOIGNAOEBXDPSJ-DLBZAZTESA-N 2 1 276.424 3.176 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236211052 819371486 /nfs/dbraw/zinc/37/14/86/819371486.db2.gz GOIGNAOEBXDPSJ-DLBZAZTESA-N 2 1 276.424 3.176 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC001236212566 819374776 /nfs/dbraw/zinc/37/47/76/819374776.db2.gz HMHQNBQZCAMQBR-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](Cc1ccc2cccccc1-2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213639 819376756 /nfs/dbraw/zinc/37/67/56/819376756.db2.gz CQDBYUUUKVLZIM-QZTJIDSGSA-N 2 1 268.404 3.493 20 0 CGADMP C[N@H+](Cc1cc(F)cc2cc[nH]c21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215429 819378410 /nfs/dbraw/zinc/37/84/10/819378410.db2.gz HZURCWXXMXYPHF-CABCVRRESA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1cc(F)cc2cc[nH]c21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215429 819378419 /nfs/dbraw/zinc/37/84/19/819378419.db2.gz HZURCWXXMXYPHF-CABCVRRESA-N 2 1 275.371 3.009 20 0 CGADMP C[N@H+](Cc1ccc(F)c(C2CC2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217065 819382555 /nfs/dbraw/zinc/38/25/55/819382555.db2.gz NIWYXBQCLJFAIH-DLBZAZTESA-N 2 1 276.399 3.405 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(C2CC2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217065 819382563 /nfs/dbraw/zinc/38/25/63/819382563.db2.gz NIWYXBQCLJFAIH-DLBZAZTESA-N 2 1 276.399 3.405 20 0 CGADMP c1ccc(C[N@@H+](C[C@H]2CCC[NH2+]2)C2CCSCC2)cc1 ZINC001236265803 819410560 /nfs/dbraw/zinc/41/05/60/819410560.db2.gz MZHSJNISZBXSON-MRXNPFEDSA-N 2 1 290.476 3.136 20 0 CGADMP c1ccc(C[N@H+](C[C@H]2CCC[NH2+]2)C2CCSCC2)cc1 ZINC001236265803 819410565 /nfs/dbraw/zinc/41/05/65/819410565.db2.gz MZHSJNISZBXSON-MRXNPFEDSA-N 2 1 290.476 3.136 20 0 CGADMP Nc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236301202 819416252 /nfs/dbraw/zinc/41/62/52/819416252.db2.gz XLBIBTWEXJXNRB-UHFFFAOYSA-N 2 1 295.430 3.023 20 0 CGADMP Cc1csc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236314404 819420755 /nfs/dbraw/zinc/42/07/55/819420755.db2.gz DACNOLDIDUUNDU-TXEJJXNPSA-N 2 1 284.856 3.141 20 0 CGADMP c1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236375046 819443058 /nfs/dbraw/zinc/44/30/58/819443058.db2.gz UUTVNHAWABSECR-KRWDZBQOSA-N 2 1 272.436 3.431 20 0 CGADMP CC[C@@H](C)C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387665 819445000 /nfs/dbraw/zinc/44/50/00/819445000.db2.gz FAXGUYHASYSCLR-PBHICJAKSA-N 2 1 278.415 3.426 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387665 819445004 /nfs/dbraw/zinc/44/50/04/819445004.db2.gz FAXGUYHASYSCLR-PBHICJAKSA-N 2 1 278.415 3.426 20 0 CGADMP CC[N@H+](Cc1ccc(-c2ccccc2)o1)C[C@H]1CC[NH2+]C1 ZINC001236407093 819454385 /nfs/dbraw/zinc/45/43/85/819454385.db2.gz BPMUTARBCBSMIU-HNNXBMFYSA-N 2 1 284.403 3.378 20 0 CGADMP CC[N@@H+](CCCc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407506 819454895 /nfs/dbraw/zinc/45/48/95/819454895.db2.gz DXHJVLCNNUTZAV-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP CC/C=C\CCCCC[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236409217 819456008 /nfs/dbraw/zinc/45/60/08/819456008.db2.gz ZFIXKFGJHGQXOW-OGZRUICASA-N 2 1 252.446 3.444 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236409437 819456139 /nfs/dbraw/zinc/45/61/39/819456139.db2.gz UVKWFVAYNUBRFX-HNNXBMFYSA-N 2 1 285.435 3.093 20 0 CGADMP CC[N@H+](Cc1cc2ccccc2s1)C[C@H]1CC[NH2+]C1 ZINC001236409520 819456185 /nfs/dbraw/zinc/45/61/85/819456185.db2.gz VMUSUYDYINYOMH-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP C[N@H+](Cc1ccc(-c2cccs2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411330 819457404 /nfs/dbraw/zinc/45/74/04/819457404.db2.gz FYIPADQXUMSXKN-QLPKVWCKSA-N 2 1 284.428 3.065 20 0 CGADMP C[N@@H+](Cc1ccc(-c2cccs2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411330 819457410 /nfs/dbraw/zinc/45/74/10/819457410.db2.gz FYIPADQXUMSXKN-QLPKVWCKSA-N 2 1 284.428 3.065 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236420707 819467475 /nfs/dbraw/zinc/46/74/75/819467475.db2.gz QKVWPVLCJZFEMV-LIRRHRJNSA-N 2 1 296.414 3.371 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236420707 819467478 /nfs/dbraw/zinc/46/74/78/819467478.db2.gz QKVWPVLCJZFEMV-LIRRHRJNSA-N 2 1 296.414 3.371 20 0 CGADMP CC(C)(C)C[N@H+](Cc1ccc(O)cc1F)C1CC[NH2+]CC1 ZINC001236457727 819486104 /nfs/dbraw/zinc/48/61/04/819486104.db2.gz PUXHEBOBZRFITP-UHFFFAOYSA-N 2 1 294.414 3.131 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1ccc(O)cc1F)C1CC[NH2+]CC1 ZINC001236457727 819486107 /nfs/dbraw/zinc/48/61/07/819486107.db2.gz PUXHEBOBZRFITP-UHFFFAOYSA-N 2 1 294.414 3.131 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468456 819489395 /nfs/dbraw/zinc/48/93/95/819489395.db2.gz GJAWTPKKRXWORW-MRXNPFEDSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468456 819489397 /nfs/dbraw/zinc/48/93/97/819489397.db2.gz GJAWTPKKRXWORW-MRXNPFEDSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1cc(F)cc(C[N@H+](C[C@@H]2C[C@@H]2C)C2CC[NH2+]CC2)c1 ZINC001236481554 819497349 /nfs/dbraw/zinc/49/73/49/819497349.db2.gz WYTOHIFBYDQCGB-HOCLYGCPSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)sc1C ZINC001236602469 819549938 /nfs/dbraw/zinc/54/99/38/819549938.db2.gz WDUVNJPRLAWASE-AWEZNQCLSA-N 2 1 278.465 3.329 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236601622 819550155 /nfs/dbraw/zinc/55/01/55/819550155.db2.gz NTJSUHBGFRQVPD-OAHLLOKOSA-N 2 1 290.426 3.407 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236606043 819550456 /nfs/dbraw/zinc/55/04/56/819550456.db2.gz YQEPQDAZKKADIK-GOSISDBHSA-N 2 1 268.404 3.319 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236821689 819608705 /nfs/dbraw/zinc/60/87/05/819608705.db2.gz WBWXEXAWWXPBJU-YBVPMBIDSA-N 2 1 250.430 3.182 20 0 CGADMP Cc1c(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC001236829528 819609852 /nfs/dbraw/zinc/60/98/52/819609852.db2.gz KXWUZAFPGPRRFX-SQWLQELKSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1c(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC001236829525 819610227 /nfs/dbraw/zinc/61/02/27/819610227.db2.gz KXWUZAFPGPRRFX-LZWOXQAQSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C)c1Cl ZINC001236833122 819611457 /nfs/dbraw/zinc/61/14/57/819611457.db2.gz YRVFXNHVNRPJRL-ZNMIVQPWSA-N 2 1 278.827 3.126 20 0 CGADMP CCc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Cl ZINC001236833543 819613054 /nfs/dbraw/zinc/61/30/54/819613054.db2.gz YZMFFEYQVXCDSV-DZKIICNBSA-N 2 1 278.827 3.072 20 0 CGADMP CCc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC001236833547 819613356 /nfs/dbraw/zinc/61/33/56/819613356.db2.gz YZMFFEYQVXCDSV-SQWLQELKSA-N 2 1 278.827 3.072 20 0 CGADMP CCC[N@H+](Cc1coc2ccc(F)cc12)C[C@@H]1CC[NH2+]C1 ZINC001236833428 819613787 /nfs/dbraw/zinc/61/37/87/819613787.db2.gz BDNBWOMVKWSMFN-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP CCC[N@H+](Cc1cc(C)cc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236842338 819618512 /nfs/dbraw/zinc/61/85/12/819618512.db2.gz FESVAQVMFFGEBC-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236841957 819618612 /nfs/dbraw/zinc/61/86/12/819618612.db2.gz BFEVRHPQDNBWGC-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236841957 819618614 /nfs/dbraw/zinc/61/86/14/819618614.db2.gz BFEVRHPQDNBWGC-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(C)s1)C[C@H]1CC[NH2+]C1 ZINC001236843224 819618778 /nfs/dbraw/zinc/61/87/78/819618778.db2.gz LTSJWUHKIFSFII-AWEZNQCLSA-N 2 1 266.454 3.186 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1cccs1 ZINC001236899558 819634985 /nfs/dbraw/zinc/63/49/85/819634985.db2.gz LFUAPFOQTLOQQA-LBPRGKRZSA-N 2 1 260.406 3.194 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1cccs1 ZINC001236899558 819634989 /nfs/dbraw/zinc/63/49/89/819634989.db2.gz LFUAPFOQTLOQQA-LBPRGKRZSA-N 2 1 260.406 3.194 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237055218 819654989 /nfs/dbraw/zinc/65/49/89/819654989.db2.gz BLDPWCHVNQDDAD-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237055218 819654992 /nfs/dbraw/zinc/65/49/92/819654992.db2.gz BLDPWCHVNQDDAD-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccnc2c(Cl)cccc12 ZINC001237144599 819678400 /nfs/dbraw/zinc/67/84/00/819678400.db2.gz SASUMVFSIVAZNO-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccnc2c(Cl)cccc12 ZINC001237144599 819678402 /nfs/dbraw/zinc/67/84/02/819678402.db2.gz SASUMVFSIVAZNO-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP Cc1c(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc(F)c1F ZINC001237158183 819684655 /nfs/dbraw/zinc/68/46/55/819684655.db2.gz JUIRDNNXDWZAEQ-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2OC=CC2=S)CC1 ZINC001237178976 819687562 /nfs/dbraw/zinc/68/75/62/819687562.db2.gz NMILRJALPUURBI-UHFFFAOYSA-N 2 1 282.453 3.121 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC001237256751 819709819 /nfs/dbraw/zinc/70/98/19/819709819.db2.gz ATWMQNGJDIHHEI-FQEVSTJZSA-N 2 1 292.426 3.452 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC001237256755 819710727 /nfs/dbraw/zinc/71/07/27/819710727.db2.gz ATWMQNGJDIHHEI-HXUWFJFHSA-N 2 1 292.426 3.452 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265080 819711873 /nfs/dbraw/zinc/71/18/73/819711873.db2.gz LRIKTKBSATUPCE-CVEARBPZSA-N 2 1 290.451 3.391 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237393330 819741646 /nfs/dbraw/zinc/74/16/46/819741646.db2.gz RIPAVIPOWSXQLO-CZUORRHYSA-N 2 1 278.465 3.275 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237393330 819741649 /nfs/dbraw/zinc/74/16/49/819741649.db2.gz RIPAVIPOWSXQLO-CZUORRHYSA-N 2 1 278.465 3.275 20 0 CGADMP c1cc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2s1 ZINC001237414545 819746864 /nfs/dbraw/zinc/74/68/64/819746864.db2.gz LOAJGBMXNTUSQV-JKSUJKDBSA-N 2 1 286.444 3.475 20 0 CGADMP c1cc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2s1 ZINC001237414545 819746870 /nfs/dbraw/zinc/74/68/70/819746870.db2.gz LOAJGBMXNTUSQV-JKSUJKDBSA-N 2 1 286.444 3.475 20 0 CGADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cccc2n1 ZINC001237418046 819749566 /nfs/dbraw/zinc/74/95/66/819749566.db2.gz XJLLTAOSOBESIE-AEFFLSMTSA-N 2 1 295.430 3.117 20 0 CGADMP Cc1c(Cl)cccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001237733105 819824442 /nfs/dbraw/zinc/82/44/42/819824442.db2.gz AWUMOCKRMFJPFR-MRXNPFEDSA-N 2 1 278.827 3.176 20 0 CGADMP Cc1c(Cl)cccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001237733105 819824448 /nfs/dbraw/zinc/82/44/48/819824448.db2.gz AWUMOCKRMFJPFR-MRXNPFEDSA-N 2 1 278.827 3.176 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001237733105 819824456 /nfs/dbraw/zinc/82/44/56/819824456.db2.gz AWUMOCKRMFJPFR-MRXNPFEDSA-N 2 1 278.827 3.176 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001237733105 819824464 /nfs/dbraw/zinc/82/44/64/819824464.db2.gz AWUMOCKRMFJPFR-MRXNPFEDSA-N 2 1 278.827 3.176 20 0 CGADMP CCC[C@@H]1CCCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238113411 819938434 /nfs/dbraw/zinc/93/84/34/819938434.db2.gz KMYAAUBBJRAIAR-CQSZACIVSA-N 2 1 257.381 3.489 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238113411 819938438 /nfs/dbraw/zinc/93/84/38/819938438.db2.gz KMYAAUBBJRAIAR-CQSZACIVSA-N 2 1 257.381 3.489 20 0 CGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cnc1C1CC1 ZINC001238622821 820065508 /nfs/dbraw/zinc/06/55/08/820065508.db2.gz FEEFPJLXNIRVNZ-UHFFFAOYSA-N 2 1 299.462 3.185 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240873554 821383968 /nfs/dbraw/zinc/38/39/68/821383968.db2.gz CZHBJWSGYSZYCU-HNNXBMFYSA-N 2 1 285.435 3.223 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001241250242 821672524 /nfs/dbraw/zinc/67/25/24/821672524.db2.gz JNGQHHDOFGKSKG-MRXNPFEDSA-N 2 1 281.403 3.200 20 0 CGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C[NH3+])cc2)nc1 ZINC001241912788 822213072 /nfs/dbraw/zinc/21/30/72/822213072.db2.gz KKWMVJAOEBOOQI-GOSISDBHSA-N 2 1 281.403 3.364 20 0 CGADMP Cc1ccc(-c2c[nH+]c(N)cc2C)c(C[NH+](C)C)c1 ZINC001242096107 822350168 /nfs/dbraw/zinc/35/01/68/822350168.db2.gz ANDYDFITYJAKRY-UHFFFAOYSA-N 2 1 255.365 3.009 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C12CCCC2 ZINC001341793040 936451293 /nfs/dbraw/zinc/45/12/93/936451293.db2.gz ITVAPFYDAFPEGG-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001342709876 936476568 /nfs/dbraw/zinc/47/65/68/936476568.db2.gz NSLDDVMELMIWMJ-KBMXLJTQSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC001343497071 936503932 /nfs/dbraw/zinc/50/39/32/936503932.db2.gz UIZIMEYDFDXSLS-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC001348515475 936924615 /nfs/dbraw/zinc/92/46/15/936924615.db2.gz MWCZJBDVHWYFHF-GFCCVEGCSA-N 2 1 296.842 3.216 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1 ZINC001351556951 937019462 /nfs/dbraw/zinc/01/94/62/937019462.db2.gz BJUAGHMOSADUFR-HUUCEWRRSA-N 2 1 286.410 3.086 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(C)o1 ZINC001352112285 937037207 /nfs/dbraw/zinc/03/72/07/937037207.db2.gz MDZPHCYUWAHPTQ-UAGQMJEPSA-N 2 1 276.424 3.059 20 0 CGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCCCF)C2 ZINC001460751137 937543215 /nfs/dbraw/zinc/54/32/15/937543215.db2.gz ZAHDPFQNUMRRLU-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@]12C[NH+](CCCCF)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001460751137 937543216 /nfs/dbraw/zinc/54/32/16/937543216.db2.gz ZAHDPFQNUMRRLU-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@]12C[NH+](CCCCF)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001460751137 937543218 /nfs/dbraw/zinc/54/32/18/937543218.db2.gz ZAHDPFQNUMRRLU-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP COc1ccsc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001461047571 937561810 /nfs/dbraw/zinc/56/18/10/937561810.db2.gz ZUAZDFRIXSMNQK-OKILXGFUSA-N 2 1 296.480 3.214 20 0 CGADMP COc1ccsc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001461047571 937561813 /nfs/dbraw/zinc/56/18/13/937561813.db2.gz ZUAZDFRIXSMNQK-OKILXGFUSA-N 2 1 296.480 3.214 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC001461120679 937564707 /nfs/dbraw/zinc/56/47/07/937564707.db2.gz KLJASDODNQFKPC-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1)[NH+](C)C ZINC001229625916 932180481 /nfs/dbraw/zinc/18/04/81/932180481.db2.gz IYJNLDKWVQEKCO-NYCLONFESA-N 2 1 288.435 3.313 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001461261174 937573084 /nfs/dbraw/zinc/57/30/84/937573084.db2.gz WXIBSNWAHBTVSJ-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001461261174 937573086 /nfs/dbraw/zinc/57/30/86/937573086.db2.gz WXIBSNWAHBTVSJ-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C)CCCC2)C[C@H]1C ZINC001461862246 937602815 /nfs/dbraw/zinc/60/28/15/937602815.db2.gz SFZLSVJVASREAX-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C)CCCC2)C[C@H]1C ZINC001461862246 937602817 /nfs/dbraw/zinc/60/28/17/937602817.db2.gz SFZLSVJVASREAX-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1C ZINC001308087996 933046385 /nfs/dbraw/zinc/04/63/85/933046385.db2.gz CIEQUOVNFCICOR-QGZVFWFLSA-N 2 1 295.430 3.409 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001308091168 933046809 /nfs/dbraw/zinc/04/68/09/933046809.db2.gz YBMHQUXTVYCPLY-IKGGRYGDSA-N 2 1 287.451 3.418 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001308245589 933080192 /nfs/dbraw/zinc/08/01/92/933080192.db2.gz YWDUJUPGMQCUEB-GBJTYRQASA-N 2 1 270.486 3.123 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001462673653 937659135 /nfs/dbraw/zinc/65/91/35/937659135.db2.gz XULMIXQNDNLSES-QCODTGAPSA-N 2 1 264.457 3.131 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(F)c1 ZINC001308748652 933170636 /nfs/dbraw/zinc/17/06/36/933170636.db2.gz VLYYNKHABBEERQ-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(F)c1 ZINC001308748652 933170638 /nfs/dbraw/zinc/17/06/38/933170638.db2.gz VLYYNKHABBEERQ-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(F)c1 ZINC001308748652 933170643 /nfs/dbraw/zinc/17/06/43/933170643.db2.gz VLYYNKHABBEERQ-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(F)c1 ZINC001308748652 933170644 /nfs/dbraw/zinc/17/06/44/933170644.db2.gz VLYYNKHABBEERQ-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001308847607 933189176 /nfs/dbraw/zinc/18/91/76/933189176.db2.gz LKENQOJGCUWKGF-JKSUJKDBSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2c(F)cccc2Cl)CC[N@H+]1C ZINC001320578985 934069417 /nfs/dbraw/zinc/06/94/17/934069417.db2.gz ZNCHDUIUJHWPEO-NEPJUHHUSA-N 2 1 284.806 3.094 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001321020871 934136587 /nfs/dbraw/zinc/13/65/87/934136587.db2.gz XXGSEXFUSKFNLW-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001323134273 934366146 /nfs/dbraw/zinc/36/61/46/934366146.db2.gz JDKVSAAYCKKDKM-CVEARBPZSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001323134273 934366157 /nfs/dbraw/zinc/36/61/57/934366157.db2.gz JDKVSAAYCKKDKM-CVEARBPZSA-N 2 1 261.413 3.094 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321344 934386257 /nfs/dbraw/zinc/38/62/57/934386257.db2.gz IECVMKIGRKTCBU-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321344 934386270 /nfs/dbraw/zinc/38/62/70/934386270.db2.gz IECVMKIGRKTCBU-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321344 934386281 /nfs/dbraw/zinc/38/62/81/934386281.db2.gz IECVMKIGRKTCBU-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321344 934386289 /nfs/dbraw/zinc/38/62/89/934386289.db2.gz IECVMKIGRKTCBU-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2(C)CC2)cc1 ZINC001323506379 934403560 /nfs/dbraw/zinc/40/35/60/934403560.db2.gz WDKOMLAGZVNLDA-LBPRGKRZSA-N 2 1 255.365 3.384 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2)[C@H](C)C1 ZINC001323567592 934408168 /nfs/dbraw/zinc/40/81/68/934408168.db2.gz LZFOJGNSUNMCHE-RHSMWYFYSA-N 2 1 278.415 3.030 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCc1ccc(F)cc1 ZINC001323565320 934408463 /nfs/dbraw/zinc/40/84/63/934408463.db2.gz AUGGLTLWJADFRA-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCc1ccc(F)cc1 ZINC001323565320 934408466 /nfs/dbraw/zinc/40/84/66/934408466.db2.gz AUGGLTLWJADFRA-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNCc1cccn1C1CC1 ZINC001324424271 934501590 /nfs/dbraw/zinc/50/15/90/934501590.db2.gz IMHXORSOIQOULD-OAHLLOKOSA-N 2 1 275.440 3.177 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccn1C1CC1 ZINC001324424271 934501598 /nfs/dbraw/zinc/50/15/98/934501598.db2.gz IMHXORSOIQOULD-OAHLLOKOSA-N 2 1 275.440 3.177 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccn1C1CC1 ZINC001324424271 934501604 /nfs/dbraw/zinc/50/16/04/934501604.db2.gz IMHXORSOIQOULD-OAHLLOKOSA-N 2 1 275.440 3.177 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC001324762295 934564460 /nfs/dbraw/zinc/56/44/60/934564460.db2.gz BMYBVZXPVKIPQP-HZPDHXFCSA-N 2 1 289.467 3.135 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325597408 934920003 /nfs/dbraw/zinc/92/00/03/934920003.db2.gz IKSGKFGWGXLWOY-KBAYOESNSA-N 2 1 274.452 3.470 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2c1 ZINC001326520136 934987544 /nfs/dbraw/zinc/98/75/44/934987544.db2.gz VZXSQBZUPZNPIQ-UHFFFAOYSA-N 2 1 295.430 3.200 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001473678297 937817225 /nfs/dbraw/zinc/81/72/25/937817225.db2.gz WELQFYYDKMKJCP-IRXDYDNUSA-N 2 1 284.488 3.245 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC001327841346 935089251 /nfs/dbraw/zinc/08/92/51/935089251.db2.gz VXGYXEOBSBIDQC-VHSXEESVSA-N 2 1 290.329 3.076 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564107 935227958 /nfs/dbraw/zinc/22/79/58/935227958.db2.gz DUSHWQSWRUNLTD-CHWSQXEVSA-N 2 1 297.393 3.402 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564107 935227964 /nfs/dbraw/zinc/22/79/64/935227964.db2.gz DUSHWQSWRUNLTD-CHWSQXEVSA-N 2 1 297.393 3.402 20 0 CGADMP C(C1CCC1)[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001329925718 935254944 /nfs/dbraw/zinc/25/49/44/935254944.db2.gz NJLINPLWDLTQKL-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP c1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530200 935293184 /nfs/dbraw/zinc/29/31/84/935293184.db2.gz WEWYUQSARCYTSH-HNAYVOBHSA-N 2 1 299.462 3.272 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccn2C2CC2)C1 ZINC001331259153 935362079 /nfs/dbraw/zinc/36/20/79/935362079.db2.gz YYJBPVWKGFXCHA-IYBDPMFKSA-N 2 1 289.467 3.281 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccn2C2CC2)C1 ZINC001331259153 935362084 /nfs/dbraw/zinc/36/20/84/935362084.db2.gz YYJBPVWKGFXCHA-IYBDPMFKSA-N 2 1 289.467 3.281 20 0 CGADMP COc1ccccc1C1([NH2+]CCCc2c[nH+]cn2C)CCC1 ZINC001332844430 935492111 /nfs/dbraw/zinc/49/21/11/935492111.db2.gz UCIBFXYEHAPXEW-UHFFFAOYSA-N 2 1 299.418 3.030 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001333891956 936074263 /nfs/dbraw/zinc/07/42/63/936074263.db2.gz NMKGGLJOSDWEMF-BQFCYCMXSA-N 2 1 290.426 3.296 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC001334032554 936080031 /nfs/dbraw/zinc/08/00/31/936080031.db2.gz KREUPLWUKBUVIS-GVDBMIGSSA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)C[N@@H+](CC1CCC1)CC1CC[NH+](C)CC1 ZINC001473739371 937819702 /nfs/dbraw/zinc/81/97/02/937819702.db2.gz PUPOQHBMCNCRRC-UHFFFAOYSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(F)c1F ZINC001474018880 937835741 /nfs/dbraw/zinc/83/57/41/937835741.db2.gz HQMHZXBVHFSWPT-UHFFFAOYSA-N 2 1 279.334 3.040 20 0 CGADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@H+](C)C[C@H]34)oc21 ZINC001474302278 937849726 /nfs/dbraw/zinc/84/97/26/937849726.db2.gz VGLHGFIKKSIVQJ-BPQIPLTHSA-N 2 1 298.430 3.425 20 0 CGADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](C)C[C@H]34)oc21 ZINC001474302278 937849727 /nfs/dbraw/zinc/84/97/27/937849727.db2.gz VGLHGFIKKSIVQJ-BPQIPLTHSA-N 2 1 298.430 3.425 20 0 CGADMP Cc1cc(C)cc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC001474320525 937851368 /nfs/dbraw/zinc/85/13/68/937851368.db2.gz IKYOXVIFSJHPMW-OALUTQOASA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001474320525 937851369 /nfs/dbraw/zinc/85/13/69/937851369.db2.gz IKYOXVIFSJHPMW-OALUTQOASA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001474320525 937851370 /nfs/dbraw/zinc/85/13/70/937851370.db2.gz IKYOXVIFSJHPMW-OALUTQOASA-N 2 1 286.463 3.262 20 0 CGADMP Cn1c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc2ccccc21 ZINC001474351241 937853596 /nfs/dbraw/zinc/85/35/96/937853596.db2.gz HALZTHBILBCHKW-QGZVFWFLSA-N 2 1 299.462 3.485 20 0 CGADMP Cn1c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc2ccccc21 ZINC001474351241 937853598 /nfs/dbraw/zinc/85/35/98/937853598.db2.gz HALZTHBILBCHKW-QGZVFWFLSA-N 2 1 299.462 3.485 20 0 CGADMP Cn1c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc2ccccc21 ZINC001474351241 937853600 /nfs/dbraw/zinc/85/36/00/937853600.db2.gz HALZTHBILBCHKW-QGZVFWFLSA-N 2 1 299.462 3.485 20 0 CGADMP Cn1c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc2ccccc21 ZINC001474351241 937853602 /nfs/dbraw/zinc/85/36/02/937853602.db2.gz HALZTHBILBCHKW-QGZVFWFLSA-N 2 1 299.462 3.485 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1(C)C ZINC001474499163 937863095 /nfs/dbraw/zinc/86/30/95/937863095.db2.gz LWTOSNNVOMCIBI-YESZJQIVSA-N 2 1 296.499 3.290 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1(C)C ZINC001474628198 937871454 /nfs/dbraw/zinc/87/14/54/937871454.db2.gz AOTXAPIVHPYUOQ-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001549034475 938154585 /nfs/dbraw/zinc/15/45/85/938154585.db2.gz SRZKYTBEHYUZHI-UBDQQSCGSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H]2C[NH2+]C[C@@H]2C)sc1C ZINC001550352833 938166186 /nfs/dbraw/zinc/16/61/86/938166186.db2.gz GYQNXCXAKZTJKU-CQDKDKBSSA-N 2 1 293.480 3.142 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H]2C[NH2+]C[C@@H]2C)sc1C ZINC001550352833 938166187 /nfs/dbraw/zinc/16/61/87/938166187.db2.gz GYQNXCXAKZTJKU-CQDKDKBSSA-N 2 1 293.480 3.142 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550541544 938167535 /nfs/dbraw/zinc/16/75/35/938167535.db2.gz ZEMGVOCUYBTRAI-MCIONIFRSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccccc1Cl)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550541544 938167536 /nfs/dbraw/zinc/16/75/36/938167536.db2.gz ZEMGVOCUYBTRAI-MCIONIFRSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccccc1Cl)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550541544 938167537 /nfs/dbraw/zinc/16/75/37/938167537.db2.gz ZEMGVOCUYBTRAI-MCIONIFRSA-N 2 1 278.827 3.285 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001550936552 938172786 /nfs/dbraw/zinc/17/27/86/938172786.db2.gz WDDOSTMRUNEFNA-BHYGNILZSA-N 2 1 272.436 3.382 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2conc2C2CC2)CCC1 ZINC001551389315 938181154 /nfs/dbraw/zinc/18/11/54/938181154.db2.gz LHMYWGUXOLWCJQ-OAHLLOKOSA-N 2 1 289.423 3.036 20 0 CGADMP CC(C)OC1CC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001552080882 938189913 /nfs/dbraw/zinc/18/99/13/938189913.db2.gz WSXBTLGWZMSEIO-CPFNUKBASA-N 2 1 288.435 3.025 20 0 CGADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001559547127 938229222 /nfs/dbraw/zinc/22/92/22/938229222.db2.gz OJXVSMSYRHKBJC-JQHSSLGASA-N 2 1 276.468 3.230 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC1CCCCCC1 ZINC001559558517 938229546 /nfs/dbraw/zinc/22/95/46/938229546.db2.gz XVCCOFFBOFBSIS-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC1CCCCCC1 ZINC001559558517 938229547 /nfs/dbraw/zinc/22/95/47/938229547.db2.gz XVCCOFFBOFBSIS-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC1CCCCCC1 ZINC001559558517 938229548 /nfs/dbraw/zinc/22/95/48/938229548.db2.gz XVCCOFFBOFBSIS-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1cc(C)c2c(c1)CC[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC001560241536 938248765 /nfs/dbraw/zinc/24/87/65/938248765.db2.gz NGECHZLOFXYYSL-UHFFFAOYSA-N 2 1 283.419 3.028 20 0 CGADMP Cc1cc(C)c2c(c1)CC[N@H+](CCCc1c[nH+]cn1C)C2 ZINC001560241536 938248766 /nfs/dbraw/zinc/24/87/66/938248766.db2.gz NGECHZLOFXYYSL-UHFFFAOYSA-N 2 1 283.419 3.028 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH2+]CCC[NH+]2CCC2)c(C)c1 ZINC001560427955 938257882 /nfs/dbraw/zinc/25/78/82/938257882.db2.gz VMTAJOHHGLIAOU-QPJJXVBHSA-N 2 1 272.436 3.310 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cnc1Cl ZINC001560437006 938258733 /nfs/dbraw/zinc/25/87/33/938258733.db2.gz ZDQNTKIYDLXAQM-AWEZNQCLSA-N 2 1 295.858 3.398 20 0 CGADMP CCCc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001560500204 938260784 /nfs/dbraw/zinc/26/07/84/938260784.db2.gz GNPPKHZRLVUVGL-GOSISDBHSA-N 2 1 274.452 3.461 20 0 CGADMP C1=C[C@H]([N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCCC1 ZINC001574773514 962319134 /nfs/dbraw/zinc/31/91/34/962319134.db2.gz FAYGSEKPMVMLHH-BBWFWOEESA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001575423100 962371872 /nfs/dbraw/zinc/37/18/72/962371872.db2.gz PKBKMZRGYHXCEA-HZPDHXFCSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)[C@@H](C)[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC001575418587 962377634 /nfs/dbraw/zinc/37/76/34/962377634.db2.gz VIOLWNWARIKTSR-CQSZACIVSA-N 2 1 272.436 3.341 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC2(CCCC2)[C@@H]1C(C)C ZINC001575423310 962380290 /nfs/dbraw/zinc/38/02/90/962380290.db2.gz RSQBORQWDMDQOF-CABCVRRESA-N 2 1 252.446 3.118 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[N@H+]1CCCC(C)(C)C1 ZINC001575933731 962416296 /nfs/dbraw/zinc/41/62/96/962416296.db2.gz JVRWGRYNXQAITJ-DLBZAZTESA-N 2 1 295.515 3.009 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001576627733 962477661 /nfs/dbraw/zinc/47/76/61/962477661.db2.gz VESLCDUIFOOCKO-INMHGKMJSA-N 2 1 258.409 3.069 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)Cc1ccccc1 ZINC001576850318 962488276 /nfs/dbraw/zinc/48/82/76/962488276.db2.gz RYLPJNMDJFHDRN-SZMVWBNQSA-N 2 1 274.452 3.089 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)[C@@H]2CCCC[C@@H]21 ZINC001576809235 962494258 /nfs/dbraw/zinc/49/42/58/962494258.db2.gz QQFKKLLDSZJVOH-KBRIMQKVSA-N 2 1 258.409 3.156 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2(C[NH3+])CCC2)C1(CC)CC ZINC001578087224 962562102 /nfs/dbraw/zinc/56/21/02/962562102.db2.gz GJRFGQKSJRPPHO-LSDHHAIUSA-N 2 1 282.472 3.031 20 0 CGADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1SC ZINC001578241848 962574348 /nfs/dbraw/zinc/57/43/48/962574348.db2.gz OJNUSPQAZQJVMF-CFVMTHIKSA-N 2 1 278.465 3.070 20 0 CGADMP CCn1c2ccc(C)cc2[nH+]c1NC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001578342621 962584788 /nfs/dbraw/zinc/58/47/88/962584788.db2.gz YBKMMPJUGYFSET-UONOGXRCSA-N 2 1 286.423 3.165 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001578486542 962591119 /nfs/dbraw/zinc/59/11/19/962591119.db2.gz PISIWLGYYANFRS-RANZSIQMSA-N 2 1 272.436 3.382 20 0 CGADMP COCC[C@H]([NH3+])C[N@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001579000645 962605250 /nfs/dbraw/zinc/60/52/50/962605250.db2.gz ZWCAQYUIIDXMPP-SFHVURJKSA-N 2 1 292.467 3.125 20 0 CGADMP COCCC1(C[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)CCCCC1 ZINC001579007479 962614492 /nfs/dbraw/zinc/61/44/92/962614492.db2.gz UXZCVPOVZFBMIB-INIZCTEOSA-N 2 1 296.499 3.341 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+]2CC[C@H](CC[NH3+])C2)cc1C ZINC001579571345 962641559 /nfs/dbraw/zinc/64/15/59/962641559.db2.gz CIYKUBYWSHCFIQ-CHYADLBTSA-N 2 1 272.436 3.296 20 0 CGADMP Cc1cc(F)ccc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001579613658 962643963 /nfs/dbraw/zinc/64/39/63/962643963.db2.gz HNHVIRWAMXUBMF-BZUAXINKSA-N 2 1 276.399 3.000 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H]3C[NH2+]C[C@@H](C)C3)CCC2)cc1C ZINC001579678326 962652303 /nfs/dbraw/zinc/65/23/03/962652303.db2.gz QSCPBYAGRWKJQI-KBXCAEBGSA-N 2 1 286.463 3.313 20 0 CGADMP Cc1ccc(CC[NH2+][C@]2(C[NH3+])CCCC[C@@H]2C)cc1 ZINC001579687300 962658592 /nfs/dbraw/zinc/65/85/92/962658592.db2.gz FKCBAJMQMVMOSJ-RDJZCZTQSA-N 2 1 260.425 3.035 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC001579740372 962659561 /nfs/dbraw/zinc/65/95/61/962659561.db2.gz MZLWPVIVVXODIC-IAGOWNOFSA-N 2 1 297.446 3.298 20 0 CGADMP Cc1scc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1C ZINC001579937171 962676538 /nfs/dbraw/zinc/67/65/38/962676538.db2.gz MLPLFMLOAPDHFJ-HNNXBMFYSA-N 2 1 266.454 3.362 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC2CCC2)C1)C1CCCC1 ZINC001580126693 962692803 /nfs/dbraw/zinc/69/28/03/962692803.db2.gz HYBWIFIKYLGJRA-DOTOQJQBSA-N 2 1 264.457 3.406 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC001580337155 962719514 /nfs/dbraw/zinc/71/95/14/962719514.db2.gz MXAVDLDJGQTPTR-UHFFFAOYSA-N 2 1 296.414 3.263 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)C1 ZINC001580418773 962721988 /nfs/dbraw/zinc/72/19/88/962721988.db2.gz AFBXOGPMNXXSCY-HYVNUMGLSA-N 2 1 270.420 3.341 20 0 CGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000423476481 282950044 /nfs/dbraw/zinc/95/00/44/282950044.db2.gz LOCCKZSHBPCEOQ-UONOGXRCSA-N 2 1 286.410 3.324 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000337416821 214068497 /nfs/dbraw/zinc/06/84/97/214068497.db2.gz PNWRUJBRJDSYJL-IKGGRYGDSA-N 2 1 282.472 3.046 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000621328263 349497304 /nfs/dbraw/zinc/49/73/04/349497304.db2.gz MKJRSVWUUKPTAF-ZDUSSCGKSA-N 2 1 278.465 3.275 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000651786450 398288154 /nfs/dbraw/zinc/28/81/54/398288154.db2.gz YQGCGUFGBSLMIX-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000651786450 398288156 /nfs/dbraw/zinc/28/81/56/398288156.db2.gz YQGCGUFGBSLMIX-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C[NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000337952132 214328660 /nfs/dbraw/zinc/32/86/60/214328660.db2.gz YJCWQNSIMASCBY-MRXNPFEDSA-N 2 1 271.408 3.365 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000337951298 214329252 /nfs/dbraw/zinc/32/92/52/214329252.db2.gz RXSUSWOZEDUZDX-CHWSQXEVSA-N 2 1 289.345 3.292 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125510025 187188166 /nfs/dbraw/zinc/18/81/66/187188166.db2.gz VEQOKZVWGFWOAM-AWEZNQCLSA-N 2 1 272.392 3.125 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc2cnccc21 ZINC000651865981 398298776 /nfs/dbraw/zinc/29/87/76/398298776.db2.gz PGAVMARDGQGQBX-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000338007682 214356861 /nfs/dbraw/zinc/35/68/61/214356861.db2.gz ARTSNEVFTIXNTC-JKSUJKDBSA-N 2 1 261.413 3.140 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000590786443 346875822 /nfs/dbraw/zinc/87/58/22/346875822.db2.gz XJTQAXYGNVMCMC-OAHLLOKOSA-N 2 1 275.440 3.195 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423459413 529453270 /nfs/dbraw/zinc/45/32/70/529453270.db2.gz HZABVGUIWSWKFV-UONOGXRCSA-N 2 1 286.341 3.483 20 0 CGADMP CC[C@H](F)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000440494111 529438340 /nfs/dbraw/zinc/43/83/40/529438340.db2.gz ZPQJULSSQAEUSE-PVAVHDDUSA-N 2 1 278.415 3.235 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000192932898 282190613 /nfs/dbraw/zinc/19/06/13/282190613.db2.gz HHICHKGCXGAWBL-UMVBOHGHSA-N 2 1 262.397 3.119 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423473731 529568830 /nfs/dbraw/zinc/56/88/30/529568830.db2.gz QVJLWYLXKSQHKN-PSASIEDQSA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1C[C@H]1C ZINC000414087279 529613104 /nfs/dbraw/zinc/61/31/04/529613104.db2.gz ABFCHZDAADHJPS-QZWWFDLISA-N 2 1 266.473 3.379 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339194 349782624 /nfs/dbraw/zinc/78/26/24/349782624.db2.gz NYIGIDHSJZDAHP-ZIAGYGMSSA-N 2 1 276.424 3.219 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339194 349782625 /nfs/dbraw/zinc/78/26/25/349782625.db2.gz NYIGIDHSJZDAHP-ZIAGYGMSSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000423276840 529619070 /nfs/dbraw/zinc/61/90/70/529619070.db2.gz OYDUDQRACVGBIO-KBPBESRZSA-N 2 1 299.256 3.473 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623361792 349789364 /nfs/dbraw/zinc/78/93/64/349789364.db2.gz PQLIRLXMZWQNIJ-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623361792 349789367 /nfs/dbraw/zinc/78/93/67/349789367.db2.gz PQLIRLXMZWQNIJ-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623364509 349790901 /nfs/dbraw/zinc/79/09/01/349790901.db2.gz APYVFBQQDUEKPD-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000423515845 529654550 /nfs/dbraw/zinc/65/45/50/529654550.db2.gz XMHWMHGWQBXPMR-KBPBESRZSA-N 2 1 252.427 3.306 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc(OC)c1 ZINC000423270860 529668444 /nfs/dbraw/zinc/66/84/44/529668444.db2.gz XDJSYFDESNWGFR-HOCLYGCPSA-N 2 1 264.413 3.109 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC000423380411 529671778 /nfs/dbraw/zinc/67/17/78/529671778.db2.gz MNTSPYGMHVNUIA-XUJVJEKNSA-N 2 1 250.361 3.007 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623407496 349800434 /nfs/dbraw/zinc/80/04/34/349800434.db2.gz IOFDQUFAQYZWHZ-CQSZACIVSA-N 2 1 294.414 3.187 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623407496 349800436 /nfs/dbraw/zinc/80/04/36/349800436.db2.gz IOFDQUFAQYZWHZ-CQSZACIVSA-N 2 1 294.414 3.187 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623414712 349802761 /nfs/dbraw/zinc/80/27/61/349802761.db2.gz NISGNSFOPRMUJC-FRFSOERESA-N 2 1 272.436 3.382 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC1(C)C ZINC000623452603 349813163 /nfs/dbraw/zinc/81/31/63/349813163.db2.gz JDQFYNAAOKSRFS-OWLYRPNTSA-N 2 1 284.447 3.035 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000423261663 529729175 /nfs/dbraw/zinc/72/91/75/529729175.db2.gz KMCXJYHYGCZADA-PWSUYJOCSA-N 2 1 269.458 3.038 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)c1ccccc1 ZINC000295064100 199326590 /nfs/dbraw/zinc/32/65/90/199326590.db2.gz QLOJJSZZGQNUML-ODLRDIKDSA-N 2 1 272.436 3.393 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@H]2CCC[C@H]21 ZINC000367621749 529806575 /nfs/dbraw/zinc/80/65/75/529806575.db2.gz SYVDCOARGHBVFP-NZSAHSFTSA-N 2 1 297.446 3.173 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000623657783 349859407 /nfs/dbraw/zinc/85/94/07/349859407.db2.gz YZDFJGWRJPNOGA-DRDHIDPGSA-N 2 1 294.389 3.300 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000623657697 349859479 /nfs/dbraw/zinc/85/94/79/349859479.db2.gz WUOZKEGIFSTRNT-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)c1 ZINC000623655052 349856220 /nfs/dbraw/zinc/85/62/20/349856220.db2.gz NCHZZEXVRLKRLP-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656027 349856348 /nfs/dbraw/zinc/85/63/48/349856348.db2.gz LGTVPRVLSZJCIU-FXFXYLOPSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000623655995 349856842 /nfs/dbraw/zinc/85/68/42/349856842.db2.gz KPGCDELDZZRPBS-IJEWVQPXSA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000623655995 349856843 /nfs/dbraw/zinc/85/68/43/349856843.db2.gz KPGCDELDZZRPBS-IJEWVQPXSA-N 2 1 276.424 3.225 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000623656385 349857639 /nfs/dbraw/zinc/85/76/39/349857639.db2.gz SZOSFQHAWQBIPC-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656515 349857719 /nfs/dbraw/zinc/85/77/19/349857719.db2.gz VYEJOFFBGONFHB-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(OC(F)F)cc1 ZINC000359187611 529877520 /nfs/dbraw/zinc/87/75/20/529877520.db2.gz JQHQCIGIJYHADM-UHFFFAOYSA-N 2 1 298.377 3.110 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050696 530064736 /nfs/dbraw/zinc/06/47/36/530064736.db2.gz VSXANGXAQGIHML-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050696 530064737 /nfs/dbraw/zinc/06/47/37/530064737.db2.gz VSXANGXAQGIHML-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050696 530064738 /nfs/dbraw/zinc/06/47/38/530064738.db2.gz VSXANGXAQGIHML-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050697 530058909 /nfs/dbraw/zinc/05/89/09/530058909.db2.gz VSXANGXAQGIHML-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050697 530058910 /nfs/dbraw/zinc/05/89/10/530058910.db2.gz VSXANGXAQGIHML-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050697 530058911 /nfs/dbraw/zinc/05/89/11/530058911.db2.gz VSXANGXAQGIHML-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295091283 199340808 /nfs/dbraw/zinc/34/08/08/199340808.db2.gz TVPOYMBHHFGVED-DXJOGWAWSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295091283 199340810 /nfs/dbraw/zinc/34/08/10/199340810.db2.gz TVPOYMBHHFGVED-DXJOGWAWSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534871 345012757 /nfs/dbraw/zinc/01/27/57/345012757.db2.gz YMHFVIBZFIBHSO-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP COc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000068722682 345360188 /nfs/dbraw/zinc/36/01/88/345360188.db2.gz UQFVJMVLMXAGOF-INIZCTEOSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000086670213 232179352 /nfs/dbraw/zinc/17/93/52/232179352.db2.gz XXCPQKQKZVNNPV-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086904468 345751378 /nfs/dbraw/zinc/75/13/78/345751378.db2.gz IBLUWGKASBQOAA-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000090418254 345786880 /nfs/dbraw/zinc/78/68/80/345786880.db2.gz YOOCRHQCTACECO-NDNKKMJESA-N 2 1 279.453 3.117 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519313 345898684 /nfs/dbraw/zinc/89/86/84/345898684.db2.gz BWSZXBDPXXFHEN-INIZCTEOSA-N 2 1 272.436 3.384 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000129570915 346050250 /nfs/dbraw/zinc/05/02/50/346050250.db2.gz RACCMMHNPQUDEV-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000177844944 232375874 /nfs/dbraw/zinc/37/58/74/232375874.db2.gz BFIGJFUEMQKAPF-KBXCAEBGSA-N 2 1 299.418 3.400 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1C(C)C ZINC000250964914 346387089 /nfs/dbraw/zinc/38/70/89/346387089.db2.gz XJPZKNNDUGQOPQ-CVEARBPZSA-N 2 1 290.451 3.309 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000401688975 346592777 /nfs/dbraw/zinc/59/27/77/346592777.db2.gz ZFGCQHAXHSHVEX-OAHLLOKOSA-N 2 1 261.413 3.055 20 0 CGADMP CC1(C)CC([NH2+]Cc2cc3cccnc3o2)CC(C)(C)[NH2+]1 ZINC000583605094 346680395 /nfs/dbraw/zinc/68/03/95/346680395.db2.gz BYSUMKDSJDJUQB-UHFFFAOYSA-N 2 1 287.407 3.227 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000128497862 535063547 /nfs/dbraw/zinc/06/35/47/535063547.db2.gz PAENHZBEWZIWHW-CQSZACIVSA-N 2 1 286.366 3.093 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000598964782 347701499 /nfs/dbraw/zinc/70/14/99/347701499.db2.gz RKYHBKULCMMEHG-BFHYXJOUSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000351863695 219230540 /nfs/dbraw/zinc/23/05/40/219230540.db2.gz UOHLYVPLCHOTFW-RDJZCZTQSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120656 349976702 /nfs/dbraw/zinc/97/67/02/349976702.db2.gz DMTSRJYUVCJJAN-WBVHZDCISA-N 2 1 292.442 3.468 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120442 349977147 /nfs/dbraw/zinc/97/71/47/349977147.db2.gz ZHMXAALRKOMMAJ-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120442 349977152 /nfs/dbraw/zinc/97/71/52/349977152.db2.gz ZHMXAALRKOMMAJ-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121848 349979709 /nfs/dbraw/zinc/97/97/09/349979709.db2.gz DVWMHRXGZSUWCA-SJKOYZFVSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121848 349979711 /nfs/dbraw/zinc/97/97/11/349979711.db2.gz DVWMHRXGZSUWCA-SJKOYZFVSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000624122221 349979748 /nfs/dbraw/zinc/97/97/48/349979748.db2.gz MOXKHNIQCQNMJY-NXVRBGIVSA-N 2 1 290.426 3.393 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121170 349978013 /nfs/dbraw/zinc/97/80/13/349978013.db2.gz PNEACBRZEAPQIL-RKVPGOIHSA-N 2 1 272.436 3.241 20 0 CGADMP CC(C)[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000624122685 349981459 /nfs/dbraw/zinc/98/14/59/349981459.db2.gz YOVIDPRPURFPAS-RHSMWYFYSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000624122685 349981462 /nfs/dbraw/zinc/98/14/62/349981462.db2.gz YOVIDPRPURFPAS-RHSMWYFYSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000624122685 349981464 /nfs/dbraw/zinc/98/14/64/349981464.db2.gz YOVIDPRPURFPAS-RHSMWYFYSA-N 2 1 293.430 3.239 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624121786 349980588 /nfs/dbraw/zinc/98/05/88/349980588.db2.gz CXGOKBJIYDUMJF-DOTOQJQBSA-N 2 1 275.440 3.244 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(F)c1F ZINC000624122286 349981638 /nfs/dbraw/zinc/98/16/38/349981638.db2.gz NRPRYELHUQLGHV-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000624122286 349981643 /nfs/dbraw/zinc/98/16/43/349981643.db2.gz NRPRYELHUQLGHV-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123668 349982408 /nfs/dbraw/zinc/98/24/08/349982408.db2.gz QFKLJGSKLQOHKM-SJLPKXTDSA-N 2 1 289.467 3.114 20 0 CGADMP C[N@@H+](CCCCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000339406450 215150195 /nfs/dbraw/zinc/15/01/95/215150195.db2.gz IEZHVRJUOGKZCS-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123596 349982925 /nfs/dbraw/zinc/98/29/25/349982925.db2.gz OTLKRZCRALSNGX-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123667 349983040 /nfs/dbraw/zinc/98/30/40/349983040.db2.gz QFKLJGSKLQOHKM-FUHWJXTLSA-N 2 1 289.467 3.114 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CCC1CC[NH2+]CC1)CCC2 ZINC000359200649 233278742 /nfs/dbraw/zinc/27/87/42/233278742.db2.gz GMVBUJZTUWQYSC-OAHLLOKOSA-N 2 1 293.480 3.150 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)CCC1(C)C ZINC000625723468 350203579 /nfs/dbraw/zinc/20/35/79/350203579.db2.gz PJCNOLQLZPTNLQ-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)CCC1(C)C ZINC000625723468 350203582 /nfs/dbraw/zinc/20/35/82/350203582.db2.gz PJCNOLQLZPTNLQ-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cc(C)ccc1C ZINC000626020406 350249440 /nfs/dbraw/zinc/24/94/40/350249440.db2.gz KJLOCGRYGIDLEN-FUHWJXTLSA-N 2 1 292.467 3.045 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cc(C)ccc1C ZINC000626020406 350249442 /nfs/dbraw/zinc/24/94/42/350249442.db2.gz KJLOCGRYGIDLEN-FUHWJXTLSA-N 2 1 292.467 3.045 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCn1cc[nH+]c1C ZINC000628205665 350439492 /nfs/dbraw/zinc/43/94/92/350439492.db2.gz YWXBGGODBAJITH-HZPDHXFCSA-N 2 1 263.429 3.388 20 0 CGADMP CC[C@H]1CCCC[C@@H]1C[NH2+]CCCn1cc[nH+]c1C ZINC000628205666 350439077 /nfs/dbraw/zinc/43/90/77/350439077.db2.gz YWXBGGODBAJITH-JKSUJKDBSA-N 2 1 263.429 3.388 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2[nH]ccc2c1 ZINC000628259575 350468715 /nfs/dbraw/zinc/46/87/15/350468715.db2.gz ZHIAOLLQZIRYPL-UHFFFAOYSA-N 2 1 271.408 3.086 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2[nH]ccc2c1 ZINC000628259575 350468718 /nfs/dbraw/zinc/46/87/18/350468718.db2.gz ZHIAOLLQZIRYPL-UHFFFAOYSA-N 2 1 271.408 3.086 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628284030 350477287 /nfs/dbraw/zinc/47/72/87/350477287.db2.gz WSVGLWGDSQMCNY-RYUDHWBXSA-N 2 1 262.388 3.130 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628284030 350477289 /nfs/dbraw/zinc/47/72/89/350477289.db2.gz WSVGLWGDSQMCNY-RYUDHWBXSA-N 2 1 262.388 3.130 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000628425131 350535843 /nfs/dbraw/zinc/53/58/43/350535843.db2.gz BAQWCBYVYIJNIV-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537704 350706107 /nfs/dbraw/zinc/70/61/07/350706107.db2.gz KPKLWEXRUGJMQU-COXVUDFISA-N 2 1 278.415 3.123 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000629542668 350707431 /nfs/dbraw/zinc/70/74/31/350707431.db2.gz INYQOLHNTMSZPV-BGTYHANMSA-N 2 1 272.436 3.128 20 0 CGADMP C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1c[nH+]ccc1N ZINC000629547392 350710538 /nfs/dbraw/zinc/71/05/38/350710538.db2.gz AAXGOLNMGVXJTQ-JTQLQIEISA-N 2 1 287.329 3.267 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629568811 350713625 /nfs/dbraw/zinc/71/36/25/350713625.db2.gz UXCNVDITAZPYFT-BNOWGMLFSA-N 2 1 286.341 3.207 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000629595862 350717021 /nfs/dbraw/zinc/71/70/21/350717021.db2.gz RYFZLRSTXYKBST-IYBDPMFKSA-N 2 1 280.362 3.056 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000629595862 350717023 /nfs/dbraw/zinc/71/70/23/350717023.db2.gz RYFZLRSTXYKBST-IYBDPMFKSA-N 2 1 280.362 3.056 20 0 CGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)on1 ZINC000631052916 350937417 /nfs/dbraw/zinc/93/74/17/350937417.db2.gz RBMNBNCMVIYOCF-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)on1 ZINC000631052916 350937421 /nfs/dbraw/zinc/93/74/21/350937421.db2.gz RBMNBNCMVIYOCF-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)CC1(C)C ZINC000631246033 351004268 /nfs/dbraw/zinc/00/42/68/351004268.db2.gz WSHIXKMEWAPWEO-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631576423 351074201 /nfs/dbraw/zinc/07/42/01/351074201.db2.gz AECHUKNJKOMSIF-YJBOKZPZSA-N 2 1 287.451 3.169 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000634683533 351569942 /nfs/dbraw/zinc/56/99/42/351569942.db2.gz SVFNHCGPWFQMRU-HRCADAONSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1F ZINC000635011854 351629987 /nfs/dbraw/zinc/62/99/87/351629987.db2.gz PSKONXVAOKLCID-QWHCGFSZSA-N 2 1 264.388 3.255 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000339845082 215360505 /nfs/dbraw/zinc/36/05/05/215360505.db2.gz IHCONUWHRGQIIQ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000339845082 215360508 /nfs/dbraw/zinc/36/05/08/215360508.db2.gz IHCONUWHRGQIIQ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000339845082 215360512 /nfs/dbraw/zinc/36/05/12/215360512.db2.gz IHCONUWHRGQIIQ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000339845082 215360517 /nfs/dbraw/zinc/36/05/17/215360517.db2.gz IHCONUWHRGQIIQ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2Cl)C1 ZINC000339843272 215361714 /nfs/dbraw/zinc/36/17/14/215361714.db2.gz HQEUIXPHGGWNRT-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2Cl)C1 ZINC000339843272 215361715 /nfs/dbraw/zinc/36/17/15/215361715.db2.gz HQEUIXPHGGWNRT-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000339843272 215361718 /nfs/dbraw/zinc/36/17/18/215361718.db2.gz HQEUIXPHGGWNRT-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000339843272 215361722 /nfs/dbraw/zinc/36/17/22/215361722.db2.gz HQEUIXPHGGWNRT-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123081209 187069953 /nfs/dbraw/zinc/06/99/53/187069953.db2.gz LCUURNSOFAPDFL-BFYDXBDKSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000123081209 187069954 /nfs/dbraw/zinc/06/99/54/187069954.db2.gz LCUURNSOFAPDFL-BFYDXBDKSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123081209 187069955 /nfs/dbraw/zinc/06/99/55/187069955.db2.gz LCUURNSOFAPDFL-BFYDXBDKSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123081209 187069956 /nfs/dbraw/zinc/06/99/56/187069956.db2.gz LCUURNSOFAPDFL-BFYDXBDKSA-N 2 1 260.425 3.205 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000122626330 187041865 /nfs/dbraw/zinc/04/18/65/187041865.db2.gz FTHLBZGLGSLTNJ-QAPCUYQASA-N 2 1 290.451 3.043 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123020699 187066230 /nfs/dbraw/zinc/06/62/30/187066230.db2.gz KYOHKCJEGPJRKU-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123020699 187066231 /nfs/dbraw/zinc/06/62/31/187066231.db2.gz KYOHKCJEGPJRKU-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123020699 187066232 /nfs/dbraw/zinc/06/62/32/187066232.db2.gz KYOHKCJEGPJRKU-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123020699 187066233 /nfs/dbraw/zinc/06/62/33/187066233.db2.gz KYOHKCJEGPJRKU-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccccc2F)CC[N@@H+]1C ZINC000123299560 187083628 /nfs/dbraw/zinc/08/36/28/187083628.db2.gz FJWCWPKSPFOASZ-UONOGXRCSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccccc2F)CC[N@H+]1C ZINC000123299560 187083629 /nfs/dbraw/zinc/08/36/29/187083629.db2.gz FJWCWPKSPFOASZ-UONOGXRCSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCSc2ccccc2F)CC[NH+]1C ZINC000123299560 187083630 /nfs/dbraw/zinc/08/36/30/187083630.db2.gz FJWCWPKSPFOASZ-UONOGXRCSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCSc2ccccc2F)CC[NH+]1C ZINC000123299560 187083631 /nfs/dbraw/zinc/08/36/31/187083631.db2.gz FJWCWPKSPFOASZ-UONOGXRCSA-N 2 1 296.455 3.332 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000339905513 215390026 /nfs/dbraw/zinc/39/00/26/215390026.db2.gz LUCPVNNOYDELBW-GOSISDBHSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000271544078 191202923 /nfs/dbraw/zinc/20/29/23/191202923.db2.gz ZKVIXOJMMHTKHN-CVEARBPZSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000271544078 191202926 /nfs/dbraw/zinc/20/29/26/191202926.db2.gz ZKVIXOJMMHTKHN-CVEARBPZSA-N 2 1 275.440 3.305 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000366434686 234169050 /nfs/dbraw/zinc/16/90/50/234169050.db2.gz QKDLEWJRTFAEIK-ODIFPOPNSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000367616970 234235246 /nfs/dbraw/zinc/23/52/46/234235246.db2.gz MSBCXMGMYWHSPB-HNSVSWJLSA-N 2 1 273.424 3.056 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000271658619 191264864 /nfs/dbraw/zinc/26/48/64/191264864.db2.gz GJNYQWYKKQQBBI-CHWSQXEVSA-N 2 1 298.377 3.423 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1OC(F)F ZINC000271658619 191264866 /nfs/dbraw/zinc/26/48/66/191264866.db2.gz GJNYQWYKKQQBBI-CHWSQXEVSA-N 2 1 298.377 3.423 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000152406409 188016969 /nfs/dbraw/zinc/01/69/69/188016969.db2.gz HHRHAIXWENLMNK-SJKOYZFVSA-N 2 1 294.389 3.490 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000152406409 188016971 /nfs/dbraw/zinc/01/69/71/188016971.db2.gz HHRHAIXWENLMNK-SJKOYZFVSA-N 2 1 294.389 3.490 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000152490386 188023005 /nfs/dbraw/zinc/02/30/05/188023005.db2.gz SHHPBMUCXBCHEO-PXNSSMCTSA-N 2 1 298.474 3.390 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000154849887 188165511 /nfs/dbraw/zinc/16/55/11/188165511.db2.gz NMCBJTAUTVLGNO-CRAIPNDOSA-N 2 1 290.451 3.041 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000369111035 234355924 /nfs/dbraw/zinc/35/59/24/234355924.db2.gz FFWBUDYPLZHJPB-SJLPKXTDSA-N 2 1 298.434 3.293 20 0 CGADMP COCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000158266857 188367130 /nfs/dbraw/zinc/36/71/30/188367130.db2.gz GIJLMJOETLBTGW-AWEZNQCLSA-N 2 1 287.407 3.258 20 0 CGADMP Cc1oc2ccccc2c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292730375 198391877 /nfs/dbraw/zinc/39/18/77/198391877.db2.gz GFJPMFPNWIGRCK-GOSISDBHSA-N 2 1 284.403 3.269 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000271836741 191357197 /nfs/dbraw/zinc/35/71/97/191357197.db2.gz YEZXQSMKAAHGOF-OAHLLOKOSA-N 2 1 298.434 3.143 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271831452 191353824 /nfs/dbraw/zinc/35/38/24/191353824.db2.gz DWHKQFVLSQHNHC-SFHVURJKSA-N 2 1 272.436 3.249 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000414085306 235332321 /nfs/dbraw/zinc/33/23/21/235332321.db2.gz YOFUIPCOQDOWRV-JYJNAYRXSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414169652 235352894 /nfs/dbraw/zinc/35/28/94/235352894.db2.gz BGNQPURUZXWOOD-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414170510 235353023 /nfs/dbraw/zinc/35/30/23/235353023.db2.gz CHMNHSXAFCOWAG-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cnccc1C(C)(C)C ZINC000414229667 235369503 /nfs/dbraw/zinc/36/95/03/235369503.db2.gz NDMPRAJZZDMQHW-CKEIUWERSA-N 2 1 289.467 3.197 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414229667 235369508 /nfs/dbraw/zinc/36/95/08/235369508.db2.gz NDMPRAJZZDMQHW-CKEIUWERSA-N 2 1 289.467 3.197 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000420375797 235745079 /nfs/dbraw/zinc/74/50/79/235745079.db2.gz PSFTVRGXVCUZAB-LPHOPBHVSA-N 2 1 280.415 3.284 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000106868555 138355454 /nfs/dbraw/zinc/35/54/54/138355454.db2.gz HTOFIJLMOYHBJA-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868763 138356139 /nfs/dbraw/zinc/35/61/39/138356139.db2.gz LHIDREUVEZNFMW-HUUCEWRRSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868763 138356140 /nfs/dbraw/zinc/35/61/40/138356140.db2.gz LHIDREUVEZNFMW-HUUCEWRRSA-N 2 1 298.352 3.422 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000111695864 138364554 /nfs/dbraw/zinc/36/45/54/138364554.db2.gz MCGXYXWBIGNKRV-DGCLKSJQSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000111695864 138364555 /nfs/dbraw/zinc/36/45/55/138364555.db2.gz MCGXYXWBIGNKRV-DGCLKSJQSA-N 2 1 286.341 3.265 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@@H+](CCCn1ccnc1C)C1CC1 ZINC000125135998 138379647 /nfs/dbraw/zinc/37/96/47/138379647.db2.gz CZTCKEJVOTVPLG-KGLIPLIRSA-N 2 1 263.429 3.481 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000125135998 138379649 /nfs/dbraw/zinc/37/96/49/138379649.db2.gz CZTCKEJVOTVPLG-KGLIPLIRSA-N 2 1 263.429 3.481 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000125135998 138379650 /nfs/dbraw/zinc/37/96/50/138379650.db2.gz CZTCKEJVOTVPLG-KGLIPLIRSA-N 2 1 263.429 3.481 20 0 CGADMP COCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000125546513 138383232 /nfs/dbraw/zinc/38/32/32/138383232.db2.gz FGXCTSMLWVEHTD-HNNXBMFYSA-N 2 1 294.439 3.028 20 0 CGADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423222567 236000283 /nfs/dbraw/zinc/00/02/83/236000283.db2.gz BRGGAXOJLCYIFY-KBPBESRZSA-N 2 1 285.391 3.262 20 0 CGADMP c1ccc([C@@H](CC2CCC2)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423233519 236004790 /nfs/dbraw/zinc/00/47/90/236004790.db2.gz KAJKNBIPJHNMFS-DLBZAZTESA-N 2 1 258.409 3.260 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000423259216 236011520 /nfs/dbraw/zinc/01/15/20/236011520.db2.gz DHXWNLINRYCSBS-LRDDRELGSA-N 2 1 264.388 3.384 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423273250 236017076 /nfs/dbraw/zinc/01/70/76/236017076.db2.gz IWIVNMYQTSBIAC-ZANVPECISA-N 2 1 272.314 3.093 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423325687 236039119 /nfs/dbraw/zinc/03/91/19/236039119.db2.gz MAZJQJDVJHECPQ-QKCSRTOESA-N 2 1 286.341 3.278 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000423393915 236061862 /nfs/dbraw/zinc/06/18/62/236061862.db2.gz MKECPIMQVSGMGH-SGMGOOAPSA-N 2 1 298.377 3.245 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000423401098 236064816 /nfs/dbraw/zinc/06/48/16/236064816.db2.gz VUFVUQRBGGOMIX-JFIYKMOQSA-N 2 1 299.393 3.170 20 0 CGADMP COc1cccc(C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c2ccccc2)c1 ZINC000423440930 236070997 /nfs/dbraw/zinc/07/09/97/236070997.db2.gz ISNLNBIALRFUGC-VCBZYWHSSA-N 2 1 298.430 3.304 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000428277315 236388223 /nfs/dbraw/zinc/38/82/23/236388223.db2.gz NCJIVICIGZICAX-VNQPRFMTSA-N 2 1 261.413 3.235 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000428277315 236388227 /nfs/dbraw/zinc/38/82/27/236388227.db2.gz NCJIVICIGZICAX-VNQPRFMTSA-N 2 1 261.413 3.235 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC(C)(C)C1 ZINC000035054402 291145167 /nfs/dbraw/zinc/14/51/67/291145167.db2.gz QWLRYEZZIUJVFJ-ZFWWWQNUSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000156461195 299289524 /nfs/dbraw/zinc/28/95/24/299289524.db2.gz JFZOXKHAPUYHAS-HOTGVXAUSA-N 2 1 275.440 3.244 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cncc(F)c1 ZINC000157941864 299289566 /nfs/dbraw/zinc/28/95/66/299289566.db2.gz YXMGZVKKHYIWSF-CABCVRRESA-N 2 1 293.430 3.383 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000436268625 237061828 /nfs/dbraw/zinc/06/18/28/237061828.db2.gz HHWHDPZJRACRNQ-IAGOWNOFSA-N 2 1 293.455 3.155 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000414853154 283455082 /nfs/dbraw/zinc/45/50/82/283455082.db2.gz RYOCMXWILUXFGW-ZWKOTPCHSA-N 2 1 272.436 3.041 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2cccc(Cl)c2)CC[N@@H+]1C ZINC000177061607 189025256 /nfs/dbraw/zinc/02/52/56/189025256.db2.gz BETZRYKDNLDWRV-ZFWWWQNUSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2cccc(Cl)c2)CC[N@H+]1C ZINC000177061607 189025257 /nfs/dbraw/zinc/02/52/57/189025257.db2.gz BETZRYKDNLDWRV-ZFWWWQNUSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2cccc(Cl)c2)CC[NH+]1C ZINC000177061607 189025258 /nfs/dbraw/zinc/02/52/58/189025258.db2.gz BETZRYKDNLDWRV-ZFWWWQNUSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2cccc(Cl)c2)CC[NH+]1C ZINC000177061607 189025259 /nfs/dbraw/zinc/02/52/59/189025259.db2.gz BETZRYKDNLDWRV-ZFWWWQNUSA-N 2 1 296.842 3.133 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000177299081 189042857 /nfs/dbraw/zinc/04/28/57/189042857.db2.gz ZVTDWFUGOIXPFA-JKSUJKDBSA-N 2 1 290.451 3.466 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000178622033 189131871 /nfs/dbraw/zinc/13/18/71/189131871.db2.gz VNFASELMLVJRBA-JTQLQIEISA-N 2 1 297.324 3.035 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000178702860 189138780 /nfs/dbraw/zinc/13/87/80/189138780.db2.gz MHQWXJOGFHSIRN-YOEHRIQHSA-N 2 1 299.418 3.331 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342095691 216216132 /nfs/dbraw/zinc/21/61/32/216216132.db2.gz YQWOIHYOSQOSNW-UAGQMJEPSA-N 2 1 288.435 3.033 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974257 189158951 /nfs/dbraw/zinc/15/89/51/189158951.db2.gz PNDASMCRECECLJ-DYVFJYSZSA-N 2 1 276.399 3.208 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC000179111114 189170550 /nfs/dbraw/zinc/17/05/50/189170550.db2.gz YDDAHRPSEYGCDO-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC000179111114 189170551 /nfs/dbraw/zinc/17/05/51/189170551.db2.gz YDDAHRPSEYGCDO-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CCOc1cccc2cc([C@H](C)[NH2+]CCC[NH+](C)C)oc21 ZINC000181392821 189295666 /nfs/dbraw/zinc/29/56/66/189295666.db2.gz ILVNQCHACOGCIG-ZDUSSCGKSA-N 2 1 290.407 3.434 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181169669 189290289 /nfs/dbraw/zinc/29/02/89/189290289.db2.gz DEWRMQJCXDOVDR-JZXOWHBKSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181169669 189290290 /nfs/dbraw/zinc/29/02/90/189290290.db2.gz DEWRMQJCXDOVDR-JZXOWHBKSA-N 2 1 274.452 3.307 20 0 CGADMP COc1cccc2c(N[C@@H](C)CC[NH+](C)C)cc(C)[nH+]c12 ZINC000301693299 201142882 /nfs/dbraw/zinc/14/28/82/201142882.db2.gz XPCNIBJLLNPTFO-LBPRGKRZSA-N 2 1 287.407 3.304 20 0 CGADMP c1cc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2o1 ZINC000449026821 239124070 /nfs/dbraw/zinc/12/40/70/239124070.db2.gz GTGBFIKNLJCBBG-HNNXBMFYSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000342539615 216389271 /nfs/dbraw/zinc/38/92/71/216389271.db2.gz GFAQHCKITICYNF-NSHDSACASA-N 2 1 279.334 3.163 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000342539615 216389273 /nfs/dbraw/zinc/38/92/73/216389273.db2.gz GFAQHCKITICYNF-NSHDSACASA-N 2 1 279.334 3.163 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000449094969 239176066 /nfs/dbraw/zinc/17/60/66/239176066.db2.gz VHZMJUWFQGRTPT-LSDHHAIUSA-N 2 1 278.440 3.311 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000449094969 239176071 /nfs/dbraw/zinc/17/60/71/239176071.db2.gz VHZMJUWFQGRTPT-LSDHHAIUSA-N 2 1 278.440 3.311 20 0 CGADMP Cc1nccn1CCCC[N@H+](C)C(C1CC1)C1CC1 ZINC000120109895 370738558 /nfs/dbraw/zinc/73/85/58/370738558.db2.gz YMOJSFKPJZFQIC-UHFFFAOYSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C(C1CC1)C1CC1 ZINC000120109895 370738561 /nfs/dbraw/zinc/73/85/61/370738561.db2.gz YMOJSFKPJZFQIC-UHFFFAOYSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C(C1CC1)C1CC1 ZINC000120109895 370738564 /nfs/dbraw/zinc/73/85/64/370738564.db2.gz YMOJSFKPJZFQIC-UHFFFAOYSA-N 2 1 261.413 3.092 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000120511679 370775551 /nfs/dbraw/zinc/77/55/51/370775551.db2.gz FLPFIKSVYYIZOP-JKIFEVAISA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc2cc(Cl)ccc2o1 ZINC000335593413 212306488 /nfs/dbraw/zinc/30/64/88/212306488.db2.gz AGLNPJLIKWNDQJ-SNVBAGLBSA-N 2 1 278.783 3.489 20 0 CGADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cc(F)ccc2[nH+]1 ZINC000450830939 240106074 /nfs/dbraw/zinc/10/60/74/240106074.db2.gz SDJXPPTUOJQOOI-GOOCMWNKSA-N 2 1 299.393 3.141 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451853354 240370934 /nfs/dbraw/zinc/37/09/34/240370934.db2.gz LLTLTEQJNDESJT-MRXNPFEDSA-N 2 1 285.391 3.402 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451853354 240370939 /nfs/dbraw/zinc/37/09/39/240370939.db2.gz LLTLTEQJNDESJT-MRXNPFEDSA-N 2 1 285.391 3.402 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000275493152 193057894 /nfs/dbraw/zinc/05/78/94/193057894.db2.gz JCRRMESJSHYUGX-BBRMVZONSA-N 2 1 287.382 3.326 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675490 193102292 /nfs/dbraw/zinc/10/22/92/193102292.db2.gz GOWDRGYWVMYACG-LSDHHAIUSA-N 2 1 278.415 3.203 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675490 193102293 /nfs/dbraw/zinc/10/22/93/193102293.db2.gz GOWDRGYWVMYACG-LSDHHAIUSA-N 2 1 278.415 3.203 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675490 193102295 /nfs/dbraw/zinc/10/22/95/193102295.db2.gz GOWDRGYWVMYACG-LSDHHAIUSA-N 2 1 278.415 3.203 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404384 370858620 /nfs/dbraw/zinc/85/86/20/370858620.db2.gz POLOAIHAZJRPTP-PBHICJAKSA-N 2 1 278.415 3.030 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404384 370858623 /nfs/dbraw/zinc/85/86/23/370858623.db2.gz POLOAIHAZJRPTP-PBHICJAKSA-N 2 1 278.415 3.030 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404384 370858626 /nfs/dbraw/zinc/85/86/26/370858626.db2.gz POLOAIHAZJRPTP-PBHICJAKSA-N 2 1 278.415 3.030 20 0 CGADMP C[C@]1(C[NH+]2CCC(c3c(F)cccc3F)CC2)CC[NH2+]C1 ZINC000261921288 291380278 /nfs/dbraw/zinc/38/02/78/291380278.db2.gz BQTPFPRFOHCPPM-KRWDZBQOSA-N 2 1 294.389 3.144 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000459340618 242079551 /nfs/dbraw/zinc/07/95/51/242079551.db2.gz NBZCDTCMAMLPER-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459340618 242079554 /nfs/dbraw/zinc/07/95/54/242079554.db2.gz NBZCDTCMAMLPER-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459340618 242079559 /nfs/dbraw/zinc/07/95/59/242079559.db2.gz NBZCDTCMAMLPER-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459725227 242194698 /nfs/dbraw/zinc/19/46/98/242194698.db2.gz BENMUPICCSMZRQ-CABCVRRESA-N 2 1 278.415 3.078 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459799174 242239358 /nfs/dbraw/zinc/23/93/58/242239358.db2.gz YNXBCYVZSBGPEO-JYJNAYRXSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000459738053 242201731 /nfs/dbraw/zinc/20/17/31/242201731.db2.gz XIGNKXNLFRMDKS-NQZOLGFYSA-N 2 1 276.399 3.002 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000121478755 370863383 /nfs/dbraw/zinc/86/33/83/370863383.db2.gz CCBGKACETYPOGF-ZIAGYGMSSA-N 2 1 289.398 3.188 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479484220 243106561 /nfs/dbraw/zinc/10/65/61/243106561.db2.gz AATTUJISIHEUQO-SIUPPRGNSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479484220 243106566 /nfs/dbraw/zinc/10/65/66/243106566.db2.gz AATTUJISIHEUQO-SIUPPRGNSA-N 2 1 290.426 3.392 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1 ZINC000482022971 243215395 /nfs/dbraw/zinc/21/53/95/243215395.db2.gz WIVOROHGUFDLIT-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000482022971 243215398 /nfs/dbraw/zinc/21/53/98/243215398.db2.gz WIVOROHGUFDLIT-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c1 ZINC000482022971 243215402 /nfs/dbraw/zinc/21/54/02/243215402.db2.gz WIVOROHGUFDLIT-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1F ZINC000340472232 296121975 /nfs/dbraw/zinc/12/19/75/296121975.db2.gz HIOWMZWIKLFJRO-LSDHHAIUSA-N 2 1 293.430 3.383 20 0 CGADMP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482542992 243231252 /nfs/dbraw/zinc/23/12/52/243231252.db2.gz KBTUKGBGMOGPTA-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000483317045 243275520 /nfs/dbraw/zinc/27/55/20/243275520.db2.gz WUSVTWYDKUGKKG-LZWOXQAQSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000483317045 243275524 /nfs/dbraw/zinc/27/55/24/243275524.db2.gz WUSVTWYDKUGKKG-LZWOXQAQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C/C=C\c2ccncc2)C1 ZINC000486951565 243384691 /nfs/dbraw/zinc/38/46/91/243384691.db2.gz SCTQPPZGPBCFNB-IMXKFXGHSA-N 2 1 287.451 3.197 20 0 CGADMP CC(C)[NH+](CC[NH2+]C[C@@H](C)c1ccccc1)C(C)C ZINC000019994255 368792216 /nfs/dbraw/zinc/79/22/16/368792216.db2.gz ULMLFFHREGCFGR-MRXNPFEDSA-N 2 1 262.441 3.499 20 0 CGADMP CC(C)[NH+](CC[NH2+]C[C@H](C)c1ccccc1)C(C)C ZINC000019994258 368792353 /nfs/dbraw/zinc/79/23/53/368792353.db2.gz ULMLFFHREGCFGR-INIZCTEOSA-N 2 1 262.441 3.499 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000035009793 368987975 /nfs/dbraw/zinc/98/79/75/368987975.db2.gz WBSSNLWNVXNEQB-CQSZACIVSA-N 2 1 260.425 3.384 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000034996534 368988495 /nfs/dbraw/zinc/98/84/95/368988495.db2.gz QICWWVPTOHLJFV-OAHLLOKOSA-N 2 1 276.449 3.297 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000037140872 369067432 /nfs/dbraw/zinc/06/74/32/369067432.db2.gz BLZUSBUFUWPUKQ-NSHDSACASA-N 2 1 280.362 3.242 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649172 369094583 /nfs/dbraw/zinc/09/45/83/369094583.db2.gz OSAGBIACIPGEEJ-CXAGYDPISA-N 2 1 276.399 3.351 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000037644268 369095641 /nfs/dbraw/zinc/09/56/41/369095641.db2.gz ZAVWSAUICJGUBU-STQMWFEESA-N 2 1 298.377 3.280 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649441 369097994 /nfs/dbraw/zinc/09/79/94/369097994.db2.gz ICBBUUQHUYBJLY-MAUKXSAKSA-N 2 1 272.436 3.458 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000037770216 369107799 /nfs/dbraw/zinc/10/77/99/369107799.db2.gz JRHZGBCRZBPFHO-HZTRTUMWSA-N 2 1 258.409 3.271 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000492817498 244030643 /nfs/dbraw/zinc/03/06/43/244030643.db2.gz KNIVZBLKISHDGV-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000042276512 369210381 /nfs/dbraw/zinc/21/03/81/369210381.db2.gz SJSNQAWEQBFWPB-ZDUSSCGKSA-N 2 1 286.341 3.137 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000042276512 369210386 /nfs/dbraw/zinc/21/03/86/369210386.db2.gz SJSNQAWEQBFWPB-ZDUSSCGKSA-N 2 1 286.341 3.137 20 0 CGADMP COCC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000494371302 244284098 /nfs/dbraw/zinc/28/40/98/244284098.db2.gz UKBZMZAIDOJYKB-UHFFFAOYSA-N 2 1 292.467 3.289 20 0 CGADMP C(=C\c1ccncc1)\C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000494970883 244338784 /nfs/dbraw/zinc/33/87/84/244338784.db2.gz IEGIJKPZVGCMIW-HSWFUWHYSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C\c1ccncc1)\C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000494970883 244338786 /nfs/dbraw/zinc/33/87/86/244338786.db2.gz IEGIJKPZVGCMIW-HSWFUWHYSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C\c1ccncc1)\C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000494970883 244338792 /nfs/dbraw/zinc/33/87/92/244338792.db2.gz IEGIJKPZVGCMIW-HSWFUWHYSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C\c1ccncc1)\C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000494970883 244338796 /nfs/dbraw/zinc/33/87/96/244338796.db2.gz IEGIJKPZVGCMIW-HSWFUWHYSA-N 2 1 297.446 3.044 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000127546429 370953335 /nfs/dbraw/zinc/95/33/35/370953335.db2.gz LZSZPRLDWUEYKF-GFCCVEGCSA-N 2 1 284.856 3.463 20 0 CGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129108773 370974745 /nfs/dbraw/zinc/97/47/45/370974745.db2.gz FWZNAHSMWAJWBQ-LZWOXQAQSA-N 2 1 288.460 3.440 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062014533 369613664 /nfs/dbraw/zinc/61/36/64/369613664.db2.gz YZUFKTITFLLNSR-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP CCCc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000063200883 369645311 /nfs/dbraw/zinc/64/53/11/369645311.db2.gz LYACEUPMBNNDRG-HNNXBMFYSA-N 2 1 293.480 3.060 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000065976580 369687087 /nfs/dbraw/zinc/68/70/87/369687087.db2.gz ZMQXVSPBNWNAFP-UHFFFAOYSA-N 2 1 272.392 3.410 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070170893 369786023 /nfs/dbraw/zinc/78/60/23/369786023.db2.gz LBNGNMXYSJHWEY-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070170626 369786528 /nfs/dbraw/zinc/78/65/28/369786528.db2.gz SCMIXCRIOYVMJH-QGZVFWFLSA-N 2 1 290.451 3.133 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000076446380 369938067 /nfs/dbraw/zinc/93/80/67/369938067.db2.gz GQCXORGXDOLTHN-INIZCTEOSA-N 2 1 258.409 3.041 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000093645026 370154520 /nfs/dbraw/zinc/15/45/20/370154520.db2.gz KDPIPAHSPSISRL-ZFWWWQNUSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3[nH]ccc32)CC[N@H+]1C ZINC000093645026 370154524 /nfs/dbraw/zinc/15/45/24/370154524.db2.gz KDPIPAHSPSISRL-ZFWWWQNUSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3[nH]ccc32)CC[NH+]1C ZINC000093645026 370154529 /nfs/dbraw/zinc/15/45/29/370154529.db2.gz KDPIPAHSPSISRL-ZFWWWQNUSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3[nH]ccc32)CC[NH+]1C ZINC000093645026 370154534 /nfs/dbraw/zinc/15/45/34/370154534.db2.gz KDPIPAHSPSISRL-ZFWWWQNUSA-N 2 1 271.408 3.082 20 0 CGADMP CCc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094021742 370164919 /nfs/dbraw/zinc/16/49/19/370164919.db2.gz RHQORLSIJRSNKJ-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021301 370165296 /nfs/dbraw/zinc/16/52/96/370165296.db2.gz KSEYDDCDLXVMJZ-GOSISDBHSA-N 2 1 270.420 3.138 20 0 CGADMP COCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103227498 370321486 /nfs/dbraw/zinc/32/14/86/370321486.db2.gz JLCINXIGTBAXMI-GOSISDBHSA-N 2 1 296.499 3.247 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086062 296157488 /nfs/dbraw/zinc/15/74/88/296157488.db2.gz VVSGEMHFNWTVBZ-ZHCJQAHYSA-N 2 1 294.483 3.185 20 0 CGADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000103474058 370329096 /nfs/dbraw/zinc/32/90/96/370329096.db2.gz POKWRBQHZHPEQR-QGZVFWFLSA-N 2 1 281.403 3.324 20 0 CGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000103474058 370329104 /nfs/dbraw/zinc/32/91/04/370329104.db2.gz POKWRBQHZHPEQR-QGZVFWFLSA-N 2 1 281.403 3.324 20 0 CGADMP C[C@H]1C[C@H](CC[NH2+]CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000513511548 245082496 /nfs/dbraw/zinc/08/24/96/245082496.db2.gz JQLSYHRBJSKIOJ-YJBOKZPZSA-N 2 1 272.436 3.287 20 0 CGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cnccn2)cc1 ZINC000114538147 370505355 /nfs/dbraw/zinc/50/53/55/370505355.db2.gz JZQVXVRUMZBRAH-OAHLLOKOSA-N 2 1 298.434 3.169 20 0 CGADMP C[N@@H+](C[C@H]1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513145485 245066990 /nfs/dbraw/zinc/06/69/90/245066990.db2.gz UMGCOZVGMDQQAT-LATSOQNDSA-N 2 1 298.474 3.349 20 0 CGADMP C[NH+](C[C@H]1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513145485 245066993 /nfs/dbraw/zinc/06/69/93/245066993.db2.gz UMGCOZVGMDQQAT-LATSOQNDSA-N 2 1 298.474 3.349 20 0 CGADMP C[NH+](C[C@H]1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513145485 245067001 /nfs/dbraw/zinc/06/70/01/245067001.db2.gz UMGCOZVGMDQQAT-LATSOQNDSA-N 2 1 298.474 3.349 20 0 CGADMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129719747 370997719 /nfs/dbraw/zinc/99/77/19/370997719.db2.gz VZJCGQFUQPMVAJ-ANQUJSFKSA-N 2 1 292.492 3.486 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccn1 ZINC000132108103 371151478 /nfs/dbraw/zinc/15/14/78/371151478.db2.gz QKOPNLZQPKBIGG-MRXNPFEDSA-N 2 1 277.456 3.346 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CCC2 ZINC000132158537 371156841 /nfs/dbraw/zinc/15/68/41/371156841.db2.gz MHODEFFSVLFEDL-GFCCVEGCSA-N 2 1 281.469 3.006 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000133392866 371248233 /nfs/dbraw/zinc/24/82/33/371248233.db2.gz LTFKNZINVREZIA-AWEZNQCLSA-N 2 1 272.795 3.284 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000133392866 371248240 /nfs/dbraw/zinc/24/82/40/371248240.db2.gz LTFKNZINVREZIA-AWEZNQCLSA-N 2 1 272.795 3.284 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2F)[C@H](C)C1 ZINC000133823483 371282179 /nfs/dbraw/zinc/28/21/79/371282179.db2.gz ORFYXWXYRXZIPT-PBHICJAKSA-N 2 1 292.442 3.423 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncs2)CC1 ZINC000134151938 371307545 /nfs/dbraw/zinc/30/75/45/371307545.db2.gz VPSYMZZDMFVEDI-UHFFFAOYSA-N 2 1 281.469 3.087 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000134409540 371333468 /nfs/dbraw/zinc/33/34/68/371333468.db2.gz PAIOEXPHFZXEFU-YOEHRIQHSA-N 2 1 260.425 3.240 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000136048338 371458901 /nfs/dbraw/zinc/45/89/01/371458901.db2.gz ITIBONYGMQTYOB-DZGCQCFKSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1ccccc1 ZINC000136304387 371473555 /nfs/dbraw/zinc/47/35/55/371473555.db2.gz RXQLIYNYKCKFKU-UHFFFAOYSA-N 2 1 271.408 3.146 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1ccccc1 ZINC000136304387 371473556 /nfs/dbraw/zinc/47/35/56/371473556.db2.gz RXQLIYNYKCKFKU-UHFFFAOYSA-N 2 1 271.408 3.146 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000149243463 371527681 /nfs/dbraw/zinc/52/76/81/371527681.db2.gz XMXMCNHPGQRVJD-GJZGRUSLSA-N 2 1 276.424 3.220 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000149243463 371527683 /nfs/dbraw/zinc/52/76/83/371527683.db2.gz XMXMCNHPGQRVJD-GJZGRUSLSA-N 2 1 276.424 3.220 20 0 CGADMP c1ccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150769897 371538010 /nfs/dbraw/zinc/53/80/10/371538010.db2.gz LYYKHEQGERJDCV-MRXNPFEDSA-N 2 1 290.476 3.196 20 0 CGADMP c1ccc(SCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150769897 371538019 /nfs/dbraw/zinc/53/80/19/371538019.db2.gz LYYKHEQGERJDCV-MRXNPFEDSA-N 2 1 290.476 3.196 20 0 CGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccccc2OC)C1 ZINC000151111136 371569420 /nfs/dbraw/zinc/56/94/20/371569420.db2.gz CXHXUBUPFBGNPO-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000151111136 371569425 /nfs/dbraw/zinc/56/94/25/371569425.db2.gz CXHXUBUPFBGNPO-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000151111136 371569428 /nfs/dbraw/zinc/56/94/28/371569428.db2.gz CXHXUBUPFBGNPO-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000151601305 371617899 /nfs/dbraw/zinc/61/78/99/371617899.db2.gz VMNGNPYQJSBDRO-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1ccc(F)c(F)c1 ZINC000152153806 371678149 /nfs/dbraw/zinc/67/81/49/371678149.db2.gz APUNENKTVUCTPC-CABCVRRESA-N 2 1 294.389 3.066 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(F)c(F)c1 ZINC000152153806 371678155 /nfs/dbraw/zinc/67/81/55/371678155.db2.gz APUNENKTVUCTPC-CABCVRRESA-N 2 1 294.389 3.066 20 0 CGADMP COc1ccc([C@@H]([NH2+]CCC[NH+](C)C)C(C)C)c(F)c1 ZINC000421801844 371636879 /nfs/dbraw/zinc/63/68/79/371636879.db2.gz LURVOHYNEPMTJW-INIZCTEOSA-N 2 1 282.403 3.073 20 0 CGADMP C(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000152796525 371723714 /nfs/dbraw/zinc/72/37/14/371723714.db2.gz MNIKJTDRPKRJHG-XLAORIBOSA-N 2 1 276.468 3.230 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1F ZINC000422561467 371750550 /nfs/dbraw/zinc/75/05/50/371750550.db2.gz LIOJFYOZQOIWDX-NFAWXSAZSA-N 2 1 294.414 3.030 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1F ZINC000422561467 371750555 /nfs/dbraw/zinc/75/05/55/371750555.db2.gz LIOJFYOZQOIWDX-NFAWXSAZSA-N 2 1 294.414 3.030 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118036 371750937 /nfs/dbraw/zinc/75/09/37/371750937.db2.gz DGMOKJQLEQOMCR-RDTXWAMCSA-N 2 1 297.446 3.477 20 0 CGADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1C ZINC000422763228 371792669 /nfs/dbraw/zinc/79/26/69/371792669.db2.gz OPHOELIRJLNEKH-QAPCUYQASA-N 2 1 298.430 3.052 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@H](C)c3c[nH+]ccc3N)cc2c1C ZINC000422725233 371770073 /nfs/dbraw/zinc/77/00/73/371770073.db2.gz XSNZZPBDQAFLLT-CYBMUJFWSA-N 2 1 294.402 3.443 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000422740160 371777330 /nfs/dbraw/zinc/77/73/30/371777330.db2.gz AWMLVRJCHYPNAE-DYVFJYSZSA-N 2 1 288.822 3.388 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000422824146 371830954 /nfs/dbraw/zinc/83/09/54/371830954.db2.gz NDRZSZWPCMWTAG-SWLSCSKDSA-N 2 1 280.843 3.348 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1c[nH+]ccc1N ZINC000422945379 371884934 /nfs/dbraw/zinc/88/49/34/371884934.db2.gz UIUUFGQUESXDKR-SECBINFHSA-N 2 1 281.812 3.102 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCC1 ZINC000422872934 371848423 /nfs/dbraw/zinc/84/84/23/371848423.db2.gz JFFIFSPFUZGXSA-ZDUSSCGKSA-N 2 1 261.413 3.361 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422897075 371859311 /nfs/dbraw/zinc/85/93/11/371859311.db2.gz BKCHBKVGIPLHTH-DOTOQJQBSA-N 2 1 272.436 3.147 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCS2 ZINC000422909404 371863720 /nfs/dbraw/zinc/86/37/20/371863720.db2.gz FUVQWUDUEBWOSP-RLCAUIQDSA-N 2 1 292.423 3.235 20 0 CGADMP CC(C)=CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154722858 371873044 /nfs/dbraw/zinc/87/30/44/371873044.db2.gz DXTQLROPTAGMBT-QGZVFWFLSA-N 2 1 264.457 3.397 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000422925518 371873973 /nfs/dbraw/zinc/87/39/73/371873973.db2.gz AVWVWASBVBILRZ-QWRGUYRKSA-N 2 1 258.818 3.151 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000290028350 371881852 /nfs/dbraw/zinc/88/18/52/371881852.db2.gz VOYQEXBGLSFPKA-BBRMVZONSA-N 2 1 261.413 3.164 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422847653 371838101 /nfs/dbraw/zinc/83/81/01/371838101.db2.gz IPPSEKRLNGZHMY-MSOLQXFVSA-N 2 1 288.435 3.368 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCCC(F)(F)F)CC[N@@H+]1C ZINC000154959778 371893641 /nfs/dbraw/zinc/89/36/41/371893641.db2.gz MLTUQUWHMBMMBM-VXGBXAGGSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCCC(F)(F)F)CC[N@H+]1C ZINC000154959778 371893648 /nfs/dbraw/zinc/89/36/48/371893648.db2.gz MLTUQUWHMBMMBM-VXGBXAGGSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCCC(F)(F)F)CC[NH+]1C ZINC000154959778 371893655 /nfs/dbraw/zinc/89/36/55/371893655.db2.gz MLTUQUWHMBMMBM-VXGBXAGGSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCC(F)(F)F)CC[NH+]1C ZINC000154959778 371893659 /nfs/dbraw/zinc/89/36/59/371893659.db2.gz MLTUQUWHMBMMBM-VXGBXAGGSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422968493 371894410 /nfs/dbraw/zinc/89/44/10/371894410.db2.gz RGYJAQSRNQAYGC-HJWJTTGWSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000422968114 371895755 /nfs/dbraw/zinc/89/57/55/371895755.db2.gz VPXKGIAVFQWMJD-ZENOOKHLSA-N 2 1 258.365 3.084 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000422985390 371903963 /nfs/dbraw/zinc/90/39/63/371903963.db2.gz DNPDHBYBALKGAF-RNFRBKRXSA-N 2 1 267.225 3.270 20 0 CGADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423008651 371911490 /nfs/dbraw/zinc/91/14/90/371911490.db2.gz AUAMNOLOEOUZTM-KGLIPLIRSA-N 2 1 299.418 3.032 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423036646 371926230 /nfs/dbraw/zinc/92/62/30/371926230.db2.gz AURDVKKKKUKVLR-VXGBXAGGSA-N 2 1 288.439 3.409 20 0 CGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092054 371958571 /nfs/dbraw/zinc/95/85/71/371958571.db2.gz AHIVSXBFCCWDJO-DLKVLKDVSA-N 2 1 278.827 3.174 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423125167 371979349 /nfs/dbraw/zinc/97/93/49/371979349.db2.gz NCZJZBDHPLYIAY-UONOGXRCSA-N 2 1 293.455 3.112 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000156576485 371985995 /nfs/dbraw/zinc/98/59/95/371985995.db2.gz SORGABBTIRHDGD-DHSIGJKJSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000156576485 371986000 /nfs/dbraw/zinc/98/60/00/371986000.db2.gz SORGABBTIRHDGD-DHSIGJKJSA-N 2 1 288.435 3.145 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000423162295 371995721 /nfs/dbraw/zinc/99/57/21/371995721.db2.gz OZWCGYTZHLYNBW-KBMXLJTQSA-N 2 1 278.827 3.318 20 0 CGADMP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423189863 372017179 /nfs/dbraw/zinc/01/71/79/372017179.db2.gz QDUUYUCRWCXJMB-FVQBIDKESA-N 2 1 278.827 3.318 20 0 CGADMP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423189864 372017675 /nfs/dbraw/zinc/01/76/75/372017675.db2.gz QDUUYUCRWCXJMB-KBMXLJTQSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1csc(Cl)c1 ZINC000423202319 372027167 /nfs/dbraw/zinc/02/71/67/372027167.db2.gz AQNZBRFPIVCEAT-UWVGGRQHSA-N 2 1 258.818 3.052 20 0 CGADMP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000423219242 372037643 /nfs/dbraw/zinc/03/76/43/372037643.db2.gz VYIMROSNLQHQPG-VHDGCEQUSA-N 2 1 298.352 3.293 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423299979 372050163 /nfs/dbraw/zinc/05/01/63/372050163.db2.gz QQJPYJQEMPOUHM-PAYONLEZSA-N 2 1 290.451 3.294 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2sccc21 ZINC000423297648 372050284 /nfs/dbraw/zinc/05/02/84/372050284.db2.gz LEBRPTRBBSWLCY-DGCLKSJQSA-N 2 1 252.427 3.233 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CCC1 ZINC000423339102 372053555 /nfs/dbraw/zinc/05/35/55/372053555.db2.gz WKUPPBNJCZJDND-CQSZACIVSA-N 2 1 264.800 3.188 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423372398 372056442 /nfs/dbraw/zinc/05/64/42/372056442.db2.gz GFORBJCQVBKQOB-FVQBIDKESA-N 2 1 260.425 3.156 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000158163967 372056573 /nfs/dbraw/zinc/05/65/73/372056573.db2.gz PFAMVXAPHLCVSZ-GHMZBOCLSA-N 2 1 286.341 3.096 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000158163967 372056579 /nfs/dbraw/zinc/05/65/79/372056579.db2.gz PFAMVXAPHLCVSZ-GHMZBOCLSA-N 2 1 286.341 3.096 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423175050 372004220 /nfs/dbraw/zinc/00/42/20/372004220.db2.gz CRPSEAZFIIQEEX-AWEZNQCLSA-N 2 1 276.424 3.398 20 0 CGADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181416 372010494 /nfs/dbraw/zinc/01/04/94/372010494.db2.gz CQKIRBKEQSVMFX-QZTJIDSGSA-N 2 1 289.467 3.366 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181418 372011197 /nfs/dbraw/zinc/01/11/97/372011197.db2.gz CQKIRBKEQSVMFX-ZWKOTPCHSA-N 2 1 289.467 3.366 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000423184024 372011404 /nfs/dbraw/zinc/01/14/04/372011404.db2.gz HHXHUSFNXYWGHT-KRWDZBQOSA-N 2 1 287.451 3.264 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423186890 372014520 /nfs/dbraw/zinc/01/45/20/372014520.db2.gz ONJYOXKQBWFSPF-CQSZACIVSA-N 2 1 282.815 3.141 20 0 CGADMP CC(C)(C)C[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1 ZINC000423188153 372014591 /nfs/dbraw/zinc/01/45/91/372014591.db2.gz PSDSOLBGLKNIIU-CYBMUJFWSA-N 2 1 254.805 3.366 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CC2)CC1 ZINC000158911651 372088731 /nfs/dbraw/zinc/08/87/31/372088731.db2.gz LCVCMESZBGUIHQ-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCC1 ZINC000344220750 217106123 /nfs/dbraw/zinc/10/61/23/217106123.db2.gz WMBSRMUNSGZQRB-UHFFFAOYSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292871240 372232809 /nfs/dbraw/zinc/23/28/09/372232809.db2.gz WMYNXMKRAKAMGT-YJBOKZPZSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292871240 372232814 /nfs/dbraw/zinc/23/28/14/372232814.db2.gz WMYNXMKRAKAMGT-YJBOKZPZSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292871240 372232818 /nfs/dbraw/zinc/23/28/18/372232818.db2.gz WMYNXMKRAKAMGT-YJBOKZPZSA-N 2 1 290.426 3.174 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cccn1C ZINC000161641714 372343814 /nfs/dbraw/zinc/34/38/14/372343814.db2.gz ZFKSJHICNGSDMG-UHFFFAOYSA-N 2 1 285.435 3.155 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000161673374 372345421 /nfs/dbraw/zinc/34/54/21/372345421.db2.gz MTZLTPHFDIYHNV-MPGHIAIKSA-N 2 1 290.451 3.294 20 0 CGADMP C[C@H](Cc1ccsc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000162147090 372376188 /nfs/dbraw/zinc/37/61/88/372376188.db2.gz GVTKLRULEUIVMH-CQSZACIVSA-N 2 1 266.454 3.097 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430947143 372408717 /nfs/dbraw/zinc/40/87/17/372408717.db2.gz ZHHXURNFXMNAAH-INIZCTEOSA-N 2 1 298.430 3.150 20 0 CGADMP CC(C)(C)c1cccc(OCCC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430965580 372411685 /nfs/dbraw/zinc/41/16/85/372411685.db2.gz KFOYZZYTRAVZJZ-OAHLLOKOSA-N 2 1 290.451 3.034 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429435115 372366282 /nfs/dbraw/zinc/36/62/82/372366282.db2.gz IYARMDBUNSBNJF-WWGRRREGSA-N 2 1 296.842 3.037 20 0 CGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cnccn2)c1 ZINC000163551525 372479717 /nfs/dbraw/zinc/47/97/17/372479717.db2.gz VITHXIOKVVZBCR-OAHLLOKOSA-N 2 1 298.434 3.169 20 0 CGADMP CCC[N@@H+](CCCc1ccccc1C)C1CC[NH2+]CC1 ZINC000431065365 372422571 /nfs/dbraw/zinc/42/25/71/372422571.db2.gz IPSCUNLDDIFYSA-UHFFFAOYSA-N 2 1 274.452 3.392 20 0 CGADMP CCC[N@@H+](CCOC1CCCCCC1)C1CC[NH2+]CC1 ZINC000431086475 372425908 /nfs/dbraw/zinc/42/59/08/372425908.db2.gz TUKAHIOLZMCLKZ-UHFFFAOYSA-N 2 1 282.472 3.190 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3c2cccc3C)[C@H](C)C1 ZINC000164412066 372517606 /nfs/dbraw/zinc/51/76/06/372517606.db2.gz GFOHOIPCVVTHHF-QAPCUYQASA-N 2 1 299.462 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000165639273 372554400 /nfs/dbraw/zinc/55/44/00/372554400.db2.gz UOJCNZWJPBMNPD-HIFRSBDPSA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168359604 372611788 /nfs/dbraw/zinc/61/17/88/372611788.db2.gz GGYWQQADNGIXAK-BRWVUGGUSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1ccc(OC(F)F)c(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000168612775 372615831 /nfs/dbraw/zinc/61/58/31/372615831.db2.gz PIYVXCLSUJVDGB-JSGCOSHPSA-N 2 1 298.377 3.026 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCN(C)C[C@@H]2C)c1 ZINC000168612775 372615836 /nfs/dbraw/zinc/61/58/36/372615836.db2.gz PIYVXCLSUJVDGB-JSGCOSHPSA-N 2 1 298.377 3.026 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000168612775 372615841 /nfs/dbraw/zinc/61/58/41/372615841.db2.gz PIYVXCLSUJVDGB-JSGCOSHPSA-N 2 1 298.377 3.026 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000168612775 372615845 /nfs/dbraw/zinc/61/58/45/372615845.db2.gz PIYVXCLSUJVDGB-JSGCOSHPSA-N 2 1 298.377 3.026 20 0 CGADMP CC[N@@H+](Cc1cnc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435372184 372753604 /nfs/dbraw/zinc/75/36/04/372753604.db2.gz QFUHZVFJDBHNKT-QGZVFWFLSA-N 2 1 283.419 3.199 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000435374880 372753878 /nfs/dbraw/zinc/75/38/78/372753878.db2.gz RXCDNXUHHJGGOP-KGLIPLIRSA-N 2 1 270.376 3.116 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435393478 372758891 /nfs/dbraw/zinc/75/88/91/372758891.db2.gz ZZLAOORFLRTJHX-OAHLLOKOSA-N 2 1 266.816 3.304 20 0 CGADMP CCCC[N@H+](CCC[NH2+]C)Cc1ccccc1F ZINC000435875189 372821105 /nfs/dbraw/zinc/82/11/05/372821105.db2.gz BKRYVWZGKUVQGJ-UHFFFAOYSA-N 2 1 252.377 3.037 20 0 CGADMP CCCC[N@@H+](CCC[NH2+]C)Cc1ccccc1F ZINC000435875189 372821109 /nfs/dbraw/zinc/82/11/09/372821109.db2.gz BKRYVWZGKUVQGJ-UHFFFAOYSA-N 2 1 252.377 3.037 20 0 CGADMP CC(C)CC[C@H]([NH2+]CCC[NH+](C)C)c1ccoc1 ZINC000353445882 220087304 /nfs/dbraw/zinc/08/73/04/220087304.db2.gz JJHLGMYKNGZKLD-HNNXBMFYSA-N 2 1 252.402 3.298 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC=C(c2cccnc2)C1 ZINC000295681564 372875107 /nfs/dbraw/zinc/87/51/07/372875107.db2.gz CINASXZXLLWSGH-SFHVURJKSA-N 2 1 285.435 3.045 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC=C(c2cccnc2)C1 ZINC000295681564 372875119 /nfs/dbraw/zinc/87/51/19/372875119.db2.gz CINASXZXLLWSGH-SFHVURJKSA-N 2 1 285.435 3.045 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295681564 372875128 /nfs/dbraw/zinc/87/51/28/372875128.db2.gz CINASXZXLLWSGH-SFHVURJKSA-N 2 1 285.435 3.045 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000295681564 372875140 /nfs/dbraw/zinc/87/51/40/372875140.db2.gz CINASXZXLLWSGH-SFHVURJKSA-N 2 1 285.435 3.045 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2OC2CC2)CC1 ZINC000296031188 373000058 /nfs/dbraw/zinc/00/00/58/373000058.db2.gz PDHBXGAQRJHJGE-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CC2)CC1 ZINC000296031188 373000069 /nfs/dbraw/zinc/00/00/69/373000069.db2.gz PDHBXGAQRJHJGE-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000296112180 373025204 /nfs/dbraw/zinc/02/52/04/373025204.db2.gz XWLCQECXQOSSAE-MSOLQXFVSA-N 2 1 287.451 3.135 20 0 CGADMP CSc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000172850438 373048932 /nfs/dbraw/zinc/04/89/32/373048932.db2.gz ZTTIIVINEKGSEG-DZGCQCFKSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000172850438 373048939 /nfs/dbraw/zinc/04/89/39/373048939.db2.gz ZTTIIVINEKGSEG-DZGCQCFKSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000172850438 373048942 /nfs/dbraw/zinc/04/89/42/373048942.db2.gz ZTTIIVINEKGSEG-DZGCQCFKSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000172850438 373048945 /nfs/dbraw/zinc/04/89/45/373048945.db2.gz ZTTIIVINEKGSEG-DZGCQCFKSA-N 2 1 278.465 3.323 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)cn1 ZINC000344829178 217324134 /nfs/dbraw/zinc/32/41/34/217324134.db2.gz NBFDEKPKVVXMHX-WMZOPIPTSA-N 2 1 289.467 3.380 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442786720 373082142 /nfs/dbraw/zinc/08/21/42/373082142.db2.gz WAOLKTAGGHLRAK-HSBZDZAISA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cn1 ZINC000353546026 220149963 /nfs/dbraw/zinc/14/99/63/220149963.db2.gz VBLUQBICUIOCSP-HNNXBMFYSA-N 2 1 281.419 3.095 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442754234 373073410 /nfs/dbraw/zinc/07/34/10/373073410.db2.gz HVCSHRMPYUFZHM-VPEURPPWSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296458363 373140161 /nfs/dbraw/zinc/14/01/61/373140161.db2.gz NCBAASGWWMRHKP-PRICJXRYSA-N 2 1 270.420 3.450 20 0 CGADMP COC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000173923477 373216436 /nfs/dbraw/zinc/21/64/36/373216436.db2.gz DWVPNXLAINNPFB-CVEARBPZSA-N 2 1 290.451 3.043 20 0 CGADMP CCc1ccc[nH+]c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000297613828 373277159 /nfs/dbraw/zinc/27/71/59/373277159.db2.gz KTHGOOHSKBUQMD-UHFFFAOYSA-N 2 1 282.391 3.120 20 0 CGADMP C[NH+](CC1CCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174397581 373306019 /nfs/dbraw/zinc/30/60/19/373306019.db2.gz YTGUCGILMNXKNC-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724169 373475710 /nfs/dbraw/zinc/47/57/10/373475710.db2.gz UIQIHGDWKZYYTG-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724169 373475717 /nfs/dbraw/zinc/47/57/17/373475717.db2.gz UIQIHGDWKZYYTG-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724169 373475727 /nfs/dbraw/zinc/47/57/27/373475727.db2.gz UIQIHGDWKZYYTG-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000447398029 373433670 /nfs/dbraw/zinc/43/36/70/373433670.db2.gz REZAHMPGNUUYEA-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](C1CCCCC1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000447398029 373433676 /nfs/dbraw/zinc/43/36/76/373433676.db2.gz REZAHMPGNUUYEA-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](C1CCCCC1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000447398029 373433686 /nfs/dbraw/zinc/43/36/86/373433686.db2.gz REZAHMPGNUUYEA-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ccc(N2CCC([NH2+]C3CC4(CCC4)C3)CC2)[nH+]c1 ZINC000448055580 373542913 /nfs/dbraw/zinc/54/29/13/373542913.db2.gz IEGXWVIWSQVRLZ-UHFFFAOYSA-N 2 1 285.435 3.281 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@H+](CC)CCN ZINC000300831296 373640262 /nfs/dbraw/zinc/64/02/62/373640262.db2.gz OSBUXJBAXBUTPO-CYBMUJFWSA-N 2 1 285.229 3.181 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300078577 373618235 /nfs/dbraw/zinc/61/82/35/373618235.db2.gz MBLWCMUHBLLFKB-LLLHUVSDSA-N 2 1 262.441 3.195 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449209055 373670742 /nfs/dbraw/zinc/67/07/42/373670742.db2.gz RQYYNDOWYLFVKQ-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449209055 373670748 /nfs/dbraw/zinc/67/07/48/373670748.db2.gz RQYYNDOWYLFVKQ-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449352197 373682794 /nfs/dbraw/zinc/68/27/94/373682794.db2.gz STGOSMNYFGBYDE-GLJUWKHASA-N 2 1 288.410 3.420 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)s1 ZINC000178981768 373824945 /nfs/dbraw/zinc/82/49/45/373824945.db2.gz PEHJWNACVBYTTF-LBPRGKRZSA-N 2 1 281.469 3.006 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000178620676 373800134 /nfs/dbraw/zinc/80/01/34/373800134.db2.gz ZMNTZMLMPAESJG-AEFFLSMTSA-N 2 1 298.430 3.495 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000178620676 373800142 /nfs/dbraw/zinc/80/01/42/373800142.db2.gz ZMNTZMLMPAESJG-AEFFLSMTSA-N 2 1 298.430 3.495 20 0 CGADMP Cc1cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000302534750 373891765 /nfs/dbraw/zinc/89/17/65/373891765.db2.gz DPEPJHUFFDCODI-GUTXKFCHSA-N 2 1 261.413 3.168 20 0 CGADMP Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000302314092 373851744 /nfs/dbraw/zinc/85/17/44/373851744.db2.gz PRVXKKZGDUYJAV-HNNXBMFYSA-N 2 1 261.413 3.457 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000289516728 197386385 /nfs/dbraw/zinc/38/63/85/197386385.db2.gz FTGHONZDMHNKAV-MRXNPFEDSA-N 2 1 271.408 3.340 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000289516725 197385923 /nfs/dbraw/zinc/38/59/23/197385923.db2.gz FTGHONZDMHNKAV-INIZCTEOSA-N 2 1 271.408 3.340 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448768 374135140 /nfs/dbraw/zinc/13/51/40/374135140.db2.gz DKZXDDGUTJWBQV-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CC(C)N1CCCC[C@H]1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000450476805 374153502 /nfs/dbraw/zinc/15/35/02/374153502.db2.gz RUGUHBBUXQHODU-BBWFWOEESA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976670 374203874 /nfs/dbraw/zinc/20/38/74/374203874.db2.gz ROWQULHKXAQGFM-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976670 374203881 /nfs/dbraw/zinc/20/38/81/374203881.db2.gz ROWQULHKXAQGFM-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976670 374203886 /nfs/dbraw/zinc/20/38/86/374203886.db2.gz ROWQULHKXAQGFM-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]CC3CC3)C2)cc1 ZINC000310001083 374205561 /nfs/dbraw/zinc/20/55/61/374205561.db2.gz FBMZLFZYHSCXJM-SFHVURJKSA-N 2 1 272.436 3.288 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000310796585 374225501 /nfs/dbraw/zinc/22/55/01/374225501.db2.gz WERKMNGOZCYSGA-DZGCQCFKSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000311879943 374260251 /nfs/dbraw/zinc/26/02/51/374260251.db2.gz MVUIWAPAKUOOJU-KGLIPLIRSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000311879943 374260260 /nfs/dbraw/zinc/26/02/60/374260260.db2.gz MVUIWAPAKUOOJU-KGLIPLIRSA-N 2 1 266.404 3.075 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802634 374332497 /nfs/dbraw/zinc/33/24/97/374332497.db2.gz BCPYFMHWAJEZMQ-KDOFPFPSSA-N 2 1 297.446 3.477 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000453060783 374362812 /nfs/dbraw/zinc/36/28/12/374362812.db2.gz OGWQQNPSRQFVGR-OALUTQOASA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000453060783 374362822 /nfs/dbraw/zinc/36/28/22/374362822.db2.gz OGWQQNPSRQFVGR-OALUTQOASA-N 2 1 284.447 3.150 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086887695 541940684 /nfs/dbraw/zinc/94/06/84/541940684.db2.gz ACHNCJUBTQSSJN-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCOc2ccccc21)C1CC1 ZINC000453386307 374471124 /nfs/dbraw/zinc/47/11/24/374471124.db2.gz AMEDGRKGYIJBQP-QGZVFWFLSA-N 2 1 288.435 3.364 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H]1C ZINC000453389454 374472917 /nfs/dbraw/zinc/47/29/17/374472917.db2.gz CLPFEOZUBGDCIG-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)COC[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccco1 ZINC000184154082 374498487 /nfs/dbraw/zinc/49/84/87/374498487.db2.gz QHEJXQBBCOLYLE-HOTGVXAUSA-N 2 1 294.439 3.067 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000091661001 541967733 /nfs/dbraw/zinc/96/77/33/541967733.db2.gz LVCDKFNIZZIQBD-QGZVFWFLSA-N 2 1 287.451 3.313 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC(C)(C)C)cc1 ZINC000092217595 541972915 /nfs/dbraw/zinc/97/29/15/541972915.db2.gz WVLGSWIWTPUOFV-UHFFFAOYSA-N 2 1 278.440 3.105 20 0 CGADMP FC1(F)CC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000334347749 374672702 /nfs/dbraw/zinc/67/27/02/374672702.db2.gz XUXSARSVQRBCRT-CQSZACIVSA-N 2 1 286.410 3.372 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000094357623 541985833 /nfs/dbraw/zinc/98/58/33/541985833.db2.gz HDUXHTVWSPHVHI-UHFFFAOYSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000334555647 374852367 /nfs/dbraw/zinc/85/23/67/374852367.db2.gz QKBKONSCLACLHL-UKRRQHHQSA-N 2 1 273.424 3.055 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CCCC1 ZINC000464060804 374860822 /nfs/dbraw/zinc/86/08/22/374860822.db2.gz FHZBAVZOZINLJX-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CCCC1 ZINC000464060804 374860825 /nfs/dbraw/zinc/86/08/25/374860825.db2.gz FHZBAVZOZINLJX-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000186839602 374927249 /nfs/dbraw/zinc/92/72/49/374927249.db2.gz FONQZEZFQSOUGO-AWEZNQCLSA-N 2 1 286.341 3.016 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCCc2ccccc2)CC[N@@H+]1C ZINC000187120235 374975580 /nfs/dbraw/zinc/97/55/80/374975580.db2.gz PWGVJAIOSCKDKX-SJLPKXTDSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCCc2ccccc2)CC[N@H+]1C ZINC000187120235 374975584 /nfs/dbraw/zinc/97/55/84/374975584.db2.gz PWGVJAIOSCKDKX-SJLPKXTDSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCCc2ccccc2)CC[NH+]1C ZINC000187120235 374975592 /nfs/dbraw/zinc/97/55/92/374975592.db2.gz PWGVJAIOSCKDKX-SJLPKXTDSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCc2ccccc2)CC[NH+]1C ZINC000187120235 374975598 /nfs/dbraw/zinc/97/55/98/374975598.db2.gz PWGVJAIOSCKDKX-SJLPKXTDSA-N 2 1 274.452 3.424 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Cc2ccccc2)C1 ZINC000472576020 375024784 /nfs/dbraw/zinc/02/47/84/375024784.db2.gz YLWZYKAHLLNURO-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000472576020 375024788 /nfs/dbraw/zinc/02/47/88/375024788.db2.gz YLWZYKAHLLNURO-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000472576020 375024796 /nfs/dbraw/zinc/02/47/96/375024796.db2.gz YLWZYKAHLLNURO-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000472581067 375024893 /nfs/dbraw/zinc/02/48/93/375024893.db2.gz SSRYSMRBOVNDFF-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472581067 375024899 /nfs/dbraw/zinc/02/48/99/375024899.db2.gz SSRYSMRBOVNDFF-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472581067 375024905 /nfs/dbraw/zinc/02/49/05/375024905.db2.gz SSRYSMRBOVNDFF-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000474276544 375093339 /nfs/dbraw/zinc/09/33/39/375093339.db2.gz OGIGIMHYUFJWSE-RCCFBDPRSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000474276544 375093344 /nfs/dbraw/zinc/09/33/44/375093344.db2.gz OGIGIMHYUFJWSE-RCCFBDPRSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC1CC[NH2+]CC1 ZINC000479687713 375155121 /nfs/dbraw/zinc/15/51/21/375155121.db2.gz NGQSDMAXYKWLTM-VNQPRFMTSA-N 2 1 250.430 3.029 20 0 CGADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCCCC1 ZINC000480300247 375158067 /nfs/dbraw/zinc/15/80/67/375158067.db2.gz IFBGXJFKGIJWKL-KRWDZBQOSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)ccc2n1 ZINC000335229355 375247607 /nfs/dbraw/zinc/24/76/07/375247607.db2.gz ZKPPZTSATPKHDB-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc2n1 ZINC000335229355 375247613 /nfs/dbraw/zinc/24/76/13/375247613.db2.gz ZKPPZTSATPKHDB-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc2n1 ZINC000335229355 375247619 /nfs/dbraw/zinc/24/76/19/375247619.db2.gz ZKPPZTSATPKHDB-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000335181755 375206630 /nfs/dbraw/zinc/20/66/30/375206630.db2.gz QSTSFORKUOSDRN-SWLSCSKDSA-N 2 1 274.433 3.331 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000488301026 375307093 /nfs/dbraw/zinc/30/70/93/375307093.db2.gz VBBGYNDKNRGFSF-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H](C2CC2)C1)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000491232906 375324609 /nfs/dbraw/zinc/32/46/09/375324609.db2.gz UTVIFXVFDAIYFI-GJWQZFMSSA-N 2 1 276.468 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C2CC2)C1)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491232906 375324614 /nfs/dbraw/zinc/32/46/14/375324614.db2.gz UTVIFXVFDAIYFI-GJWQZFMSSA-N 2 1 276.468 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C2CC2)C1)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491232906 375324619 /nfs/dbraw/zinc/32/46/19/375324619.db2.gz UTVIFXVFDAIYFI-GJWQZFMSSA-N 2 1 276.468 3.086 20 0 CGADMP CCCCOc1ccccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491558351 375331598 /nfs/dbraw/zinc/33/15/98/375331598.db2.gz FVZFGAOCOMNJKO-OAHLLOKOSA-N 2 1 278.440 3.153 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000335910592 375533815 /nfs/dbraw/zinc/53/38/15/375533815.db2.gz WJULFCJJGKOUGA-NSHDSACASA-N 2 1 293.773 3.202 20 0 CGADMP Cn1ccnc1[C@H]1CCN(Cc2c(F)cccc2Cl)C1 ZINC000335910592 375533819 /nfs/dbraw/zinc/53/38/19/375533819.db2.gz WJULFCJJGKOUGA-NSHDSACASA-N 2 1 293.773 3.202 20 0 CGADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000190487722 375514406 /nfs/dbraw/zinc/51/44/06/375514406.db2.gz WYRRBTMKGZQRJV-HKUYNNGSSA-N 2 1 299.462 3.192 20 0 CGADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000190487722 375514414 /nfs/dbraw/zinc/51/44/14/375514414.db2.gz WYRRBTMKGZQRJV-HKUYNNGSSA-N 2 1 299.462 3.192 20 0 CGADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000190487722 375514424 /nfs/dbraw/zinc/51/44/24/375514424.db2.gz WYRRBTMKGZQRJV-HKUYNNGSSA-N 2 1 299.462 3.192 20 0 CGADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000190487722 375514431 /nfs/dbraw/zinc/51/44/31/375514431.db2.gz WYRRBTMKGZQRJV-HKUYNNGSSA-N 2 1 299.462 3.192 20 0 CGADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000190512491 375516905 /nfs/dbraw/zinc/51/69/05/375516905.db2.gz ILNSRUACOGAPAL-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP Fc1ccc(C2(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000335960524 375572965 /nfs/dbraw/zinc/57/29/65/375572965.db2.gz MKOVZPGIWUWYEG-CVEARBPZSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000335960524 375572968 /nfs/dbraw/zinc/57/29/68/375572968.db2.gz MKOVZPGIWUWYEG-CVEARBPZSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000335960524 375572971 /nfs/dbraw/zinc/57/29/71/375572971.db2.gz MKOVZPGIWUWYEG-CVEARBPZSA-N 2 1 274.383 3.031 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000120926406 542013972 /nfs/dbraw/zinc/01/39/72/542013972.db2.gz RCVOIBHNLWXVOR-HNNXBMFYSA-N 2 1 282.378 3.130 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000121479897 542019419 /nfs/dbraw/zinc/01/94/19/542019419.db2.gz DKGHKTWSSWFUEA-SJCJKPOMSA-N 2 1 287.382 3.244 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000336225330 375762041 /nfs/dbraw/zinc/76/20/41/375762041.db2.gz QUZOIVOWOHMHGR-NWDGAFQWSA-N 2 1 289.810 3.057 20 0 CGADMP CCc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192880117 375798106 /nfs/dbraw/zinc/79/81/06/375798106.db2.gz PZUOQETVKMQEKS-AYHJJNSGSA-N 2 1 272.436 3.006 20 0 CGADMP Cc1ncccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192921793 375803232 /nfs/dbraw/zinc/80/32/32/375803232.db2.gz WIFPLVNNZLTTCX-GOSISDBHSA-N 2 1 295.430 3.002 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1coc2ccccc12 ZINC000336396703 375788440 /nfs/dbraw/zinc/78/84/40/375788440.db2.gz USWLPVOAZSMZCV-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1coc2ccccc12 ZINC000336396703 375788447 /nfs/dbraw/zinc/78/84/47/375788447.db2.gz USWLPVOAZSMZCV-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1coc2ccccc12 ZINC000336396703 375788453 /nfs/dbraw/zinc/78/84/53/375788453.db2.gz USWLPVOAZSMZCV-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1coc2ccccc12 ZINC000336396703 375788459 /nfs/dbraw/zinc/78/84/59/375788459.db2.gz USWLPVOAZSMZCV-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000519400570 375835563 /nfs/dbraw/zinc/83/55/63/375835563.db2.gz ISHNCDTYKFRTRS-BDAKNGLRSA-N 2 1 261.196 3.209 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193460991 375880529 /nfs/dbraw/zinc/88/05/29/375880529.db2.gz MTFIFUHBHFQBQK-CQSZACIVSA-N 2 1 264.388 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193460991 375880536 /nfs/dbraw/zinc/88/05/36/375880536.db2.gz MTFIFUHBHFQBQK-CQSZACIVSA-N 2 1 264.388 3.304 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]CC1CCC(C(C)C)CC1 ZINC000336811903 375965379 /nfs/dbraw/zinc/96/53/79/375965379.db2.gz PAZLVUJCGCEQOP-UHFFFAOYSA-N 2 1 263.429 3.244 20 0 CGADMP C(CC[N@H+]1CC[C@@H](C2CC2)C1)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000534278050 375967226 /nfs/dbraw/zinc/96/72/26/375967226.db2.gz WBLKICJHOUIKTP-QZTJIDSGSA-N 2 1 276.468 3.230 20 0 CGADMP C[C@@H]1c2c(F)cccc2CCN1CC[C@H]1CCC[N@H+]1C ZINC000535050729 376016539 /nfs/dbraw/zinc/01/65/39/376016539.db2.gz NBGLKVJRLMFBBJ-UKRRQHHQSA-N 2 1 276.399 3.229 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000337178596 376117892 /nfs/dbraw/zinc/11/78/92/376117892.db2.gz KUXVDJBVEXLJJR-INIZCTEOSA-N 2 1 284.488 3.245 20 0 CGADMP c1c[nH+]c(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)[nH]1 ZINC000535822974 376066166 /nfs/dbraw/zinc/06/61/66/376066166.db2.gz XJLUJPOFVVZGBC-UHFFFAOYSA-N 2 1 288.420 3.123 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000195136539 376082440 /nfs/dbraw/zinc/08/24/40/376082440.db2.gz NZFHEIXVHNJLOF-WBVHZDCISA-N 2 1 284.403 3.452 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000195136539 376082446 /nfs/dbraw/zinc/08/24/46/376082446.db2.gz NZFHEIXVHNJLOF-WBVHZDCISA-N 2 1 284.403 3.452 20 0 CGADMP C[NH+](CCCCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000536262898 376084204 /nfs/dbraw/zinc/08/42/04/376084204.db2.gz JFQYNQGFRCKVDM-SFHVURJKSA-N 2 1 274.452 3.425 20 0 CGADMP C[NH+](CCCCc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC000536262898 376084206 /nfs/dbraw/zinc/08/42/06/376084206.db2.gz JFQYNQGFRCKVDM-SFHVURJKSA-N 2 1 274.452 3.425 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCCC(C)(C)C)CC2 ZINC000337196910 376128989 /nfs/dbraw/zinc/12/89/89/376128989.db2.gz XXLZYMCSGHHHIL-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCCC(C)(C)C)CC2 ZINC000337196910 376128992 /nfs/dbraw/zinc/12/89/92/376128992.db2.gz XXLZYMCSGHHHIL-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615213 376180458 /nfs/dbraw/zinc/18/04/58/376180458.db2.gz NULWHCXSANCKBA-JSGCOSHPSA-N 2 1 293.480 3.325 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CC)s2)C1 ZINC000537619373 376184069 /nfs/dbraw/zinc/18/40/69/376184069.db2.gz DGAACRLVMUNOOF-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CC)s2)C1 ZINC000537619373 376184075 /nfs/dbraw/zinc/18/40/75/376184075.db2.gz DGAACRLVMUNOOF-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CC)s2)C1 ZINC000537619373 376184079 /nfs/dbraw/zinc/18/40/79/376184079.db2.gz DGAACRLVMUNOOF-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CC)s2)C1 ZINC000537619373 376184086 /nfs/dbraw/zinc/18/40/86/376184086.db2.gz DGAACRLVMUNOOF-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cc(F)cc(F)c1 ZINC000221919240 376223565 /nfs/dbraw/zinc/22/35/65/376223565.db2.gz VFSXJHPBYQYAIN-GFCCVEGCSA-N 2 1 270.367 3.346 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000221919240 376223568 /nfs/dbraw/zinc/22/35/68/376223568.db2.gz VFSXJHPBYQYAIN-GFCCVEGCSA-N 2 1 270.367 3.346 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000221919240 376223572 /nfs/dbraw/zinc/22/35/72/376223572.db2.gz VFSXJHPBYQYAIN-GFCCVEGCSA-N 2 1 270.367 3.346 20 0 CGADMP Cc1nccn1CCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000338283909 376312968 /nfs/dbraw/zinc/31/29/68/376312968.db2.gz IKFWQJOHOABTBG-CQSZACIVSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000338283909 376312974 /nfs/dbraw/zinc/31/29/74/376312974.db2.gz IKFWQJOHOABTBG-CQSZACIVSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000338283909 376312979 /nfs/dbraw/zinc/31/29/79/376312979.db2.gz IKFWQJOHOABTBG-CQSZACIVSA-N 2 1 285.382 3.339 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226324842 376352232 /nfs/dbraw/zinc/35/22/32/376352232.db2.gz HKLRRBLWERECIP-STQMWFEESA-N 2 1 266.816 3.462 20 0 CGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000338306628 376326395 /nfs/dbraw/zinc/32/63/95/376326395.db2.gz NNMNGIXHYIHSHO-CABCVRRESA-N 2 1 297.393 3.481 20 0 CGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000338306628 376326402 /nfs/dbraw/zinc/32/64/02/376326402.db2.gz NNMNGIXHYIHSHO-CABCVRRESA-N 2 1 297.393 3.481 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCc2cccc(C)c2C1 ZINC000338344003 376340058 /nfs/dbraw/zinc/34/00/58/376340058.db2.gz BQQZQQHWGWIIIK-UHFFFAOYSA-N 2 1 260.425 3.085 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCc2cccc(C)c2C1 ZINC000338344003 376340065 /nfs/dbraw/zinc/34/00/65/376340065.db2.gz BQQZQQHWGWIIIK-UHFFFAOYSA-N 2 1 260.425 3.085 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1C ZINC000539056249 376287972 /nfs/dbraw/zinc/28/79/72/376287972.db2.gz BUVHOWGZKRRKHI-BRWVUGGUSA-N 2 1 290.451 3.082 20 0 CGADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226436021 376359246 /nfs/dbraw/zinc/35/92/46/376359246.db2.gz QMZSNFWVDFAWFF-CQSZACIVSA-N 2 1 266.816 3.162 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)ccc2n1 ZINC000226447304 376359814 /nfs/dbraw/zinc/35/98/14/376359814.db2.gz IZXBUZONCSJCNW-KRWDZBQOSA-N 2 1 283.419 3.117 20 0 CGADMP CCC[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000540196597 376365742 /nfs/dbraw/zinc/36/57/42/376365742.db2.gz ASNUMNHLNWDGHR-UHFFFAOYSA-N 2 1 254.462 3.476 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473434 376436583 /nfs/dbraw/zinc/43/65/83/376436583.db2.gz SZIHNFPCEOPYPA-YLFCFFPRSA-N 2 1 258.409 3.197 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338689132 376482558 /nfs/dbraw/zinc/48/25/58/376482558.db2.gz RILJVDPSHXOIFG-AIHBUXEESA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229067028 376457882 /nfs/dbraw/zinc/45/78/82/376457882.db2.gz DCHGNUQTFYIYOI-BZPMIXESSA-N 2 1 266.816 3.318 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000542144166 376511147 /nfs/dbraw/zinc/51/11/47/376511147.db2.gz YQJPCKIHXLSNBZ-HZPDHXFCSA-N 2 1 252.446 3.443 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000338772226 376521721 /nfs/dbraw/zinc/52/17/21/376521721.db2.gz APQKIWRQZBOIFP-CYBMUJFWSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231463944 376559695 /nfs/dbraw/zinc/55/96/95/376559695.db2.gz XXSIGCRBWDPNKY-AWEZNQCLSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231463944 376559707 /nfs/dbraw/zinc/55/97/07/376559707.db2.gz XXSIGCRBWDPNKY-AWEZNQCLSA-N 2 1 270.779 3.053 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@H](C)Cc2ccsc2)[C@H](C)C1 ZINC000543080768 376602871 /nfs/dbraw/zinc/60/28/71/376602871.db2.gz GECDQRCYGLPTJU-FMKPAKJESA-N 2 1 280.481 3.341 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@H](C)Cc2ccsc2)[C@H](C)C1 ZINC000543080768 376602873 /nfs/dbraw/zinc/60/28/73/376602873.db2.gz GECDQRCYGLPTJU-FMKPAKJESA-N 2 1 280.481 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H](C)Cc2ccsc2)[C@H](C)C1 ZINC000543080768 376602877 /nfs/dbraw/zinc/60/28/77/376602877.db2.gz GECDQRCYGLPTJU-FMKPAKJESA-N 2 1 280.481 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H](C)Cc2ccsc2)[C@H](C)C1 ZINC000543080768 376602881 /nfs/dbraw/zinc/60/28/81/376602881.db2.gz GECDQRCYGLPTJU-FMKPAKJESA-N 2 1 280.481 3.341 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000231747711 376570638 /nfs/dbraw/zinc/57/06/38/376570638.db2.gz LSLXRMBIRYFAGT-WFASDCNBSA-N 2 1 266.816 3.221 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CC(C(C)C)C1)[NH+]1CCCC1 ZINC000232537263 376581944 /nfs/dbraw/zinc/58/19/44/376581944.db2.gz OMCUSMXQMKOYDV-GPANFISMSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000543394839 376635620 /nfs/dbraw/zinc/63/56/20/376635620.db2.gz OJLSGVJNDOHTKL-NJAFHUGGSA-N 2 1 278.484 3.476 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000237670546 376757293 /nfs/dbraw/zinc/75/72/93/376757293.db2.gz ZYWXIWQWVZZSCS-CQSZACIVSA-N 2 1 264.413 3.332 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339683148 376810017 /nfs/dbraw/zinc/81/00/17/376810017.db2.gz NDPWULOOLICUHL-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339683148 376810023 /nfs/dbraw/zinc/81/00/23/376810023.db2.gz NDPWULOOLICUHL-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000245628690 376872027 /nfs/dbraw/zinc/87/20/27/376872027.db2.gz PMJDHARPNLZKLB-GDBMZVCRSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000245628690 376872031 /nfs/dbraw/zinc/87/20/31/376872031.db2.gz PMJDHARPNLZKLB-GDBMZVCRSA-N 2 1 276.424 3.172 20 0 CGADMP FCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245643832 376872087 /nfs/dbraw/zinc/87/20/87/376872087.db2.gz BGPAUDCRULZBQI-OSYLJGHBSA-N 2 1 276.399 3.131 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683367 376878645 /nfs/dbraw/zinc/87/86/45/376878645.db2.gz AAJKEEOBGAXFPV-MAUKXSAKSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683367 376878660 /nfs/dbraw/zinc/87/86/60/376878660.db2.gz AAJKEEOBGAXFPV-MAUKXSAKSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683367 376878668 /nfs/dbraw/zinc/87/86/68/376878668.db2.gz AAJKEEOBGAXFPV-MAUKXSAKSA-N 2 1 274.452 3.466 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245687326 376881957 /nfs/dbraw/zinc/88/19/57/376881957.db2.gz JUIFPRYSIJGJGN-LHKMKVQPSA-N 2 1 270.420 3.180 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245715712 376889102 /nfs/dbraw/zinc/88/91/02/376889102.db2.gz CTZUFRAQVKBJII-JSGCOSHPSA-N 2 1 275.421 3.336 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000245725474 376892516 /nfs/dbraw/zinc/89/25/16/376892516.db2.gz PJNRJOXJIRJAKD-IMJJTQAJSA-N 2 1 263.429 3.386 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCC(F)(F)C1 ZINC000340281525 376980173 /nfs/dbraw/zinc/98/01/73/376980173.db2.gz WJDXHXPUQZQRDG-ZIAGYGMSSA-N 2 1 274.399 3.228 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCC(F)(F)C1 ZINC000340281525 376980178 /nfs/dbraw/zinc/98/01/78/376980178.db2.gz WJDXHXPUQZQRDG-ZIAGYGMSSA-N 2 1 274.399 3.228 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)C2 ZINC000245905927 376931702 /nfs/dbraw/zinc/93/17/02/376931702.db2.gz FGTMPRGMKMMWTO-CXHZTBPHSA-N 2 1 272.436 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)C2 ZINC000245905927 376931708 /nfs/dbraw/zinc/93/17/08/376931708.db2.gz FGTMPRGMKMMWTO-CXHZTBPHSA-N 2 1 272.436 3.301 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244765 376961704 /nfs/dbraw/zinc/96/17/04/376961704.db2.gz OBUXBLZTHUCESW-JKSUJKDBSA-N 2 1 278.465 3.165 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244765 376961712 /nfs/dbraw/zinc/96/17/12/376961712.db2.gz OBUXBLZTHUCESW-JKSUJKDBSA-N 2 1 278.465 3.165 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000246385198 377020659 /nfs/dbraw/zinc/02/06/59/377020659.db2.gz KJQQMBACPMJROY-CVEARBPZSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000246385198 377020666 /nfs/dbraw/zinc/02/06/66/377020666.db2.gz KJQQMBACPMJROY-CVEARBPZSA-N 2 1 275.440 3.100 20 0 CGADMP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340373605 377026296 /nfs/dbraw/zinc/02/62/96/377026296.db2.gz VHGKONWIQNVTKS-HZPDHXFCSA-N 2 1 290.476 3.307 20 0 CGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340373605 377026301 /nfs/dbraw/zinc/02/63/01/377026301.db2.gz VHGKONWIQNVTKS-HZPDHXFCSA-N 2 1 290.476 3.307 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000246463406 377034414 /nfs/dbraw/zinc/03/44/14/377034414.db2.gz QARLOJFCQCSYDR-HUUCEWRRSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000246463406 377034420 /nfs/dbraw/zinc/03/44/20/377034420.db2.gz QARLOJFCQCSYDR-HUUCEWRRSA-N 2 1 293.430 3.239 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340471332 377080560 /nfs/dbraw/zinc/08/05/60/377080560.db2.gz VAXXHEGQZBRGDP-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559722771 377095813 /nfs/dbraw/zinc/09/58/13/377095813.db2.gz YDAKWGMHLVVYSJ-DLBZAZTESA-N 2 1 260.425 3.458 20 0 CGADMP CC(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559722771 377095824 /nfs/dbraw/zinc/09/58/24/377095824.db2.gz YDAKWGMHLVVYSJ-DLBZAZTESA-N 2 1 260.425 3.458 20 0 CGADMP CC(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559722774 377097266 /nfs/dbraw/zinc/09/72/66/377097266.db2.gz YDAKWGMHLVVYSJ-SJORKVTESA-N 2 1 260.425 3.458 20 0 CGADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559722774 377097276 /nfs/dbraw/zinc/09/72/76/377097276.db2.gz YDAKWGMHLVVYSJ-SJORKVTESA-N 2 1 260.425 3.458 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246831987 377100594 /nfs/dbraw/zinc/10/05/94/377100594.db2.gz ALRVOTALOGHCAC-DOTOQJQBSA-N 2 1 274.452 3.345 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000247288404 377189553 /nfs/dbraw/zinc/18/95/53/377189553.db2.gz GRYRPWCPJDBRMR-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000247044408 377147498 /nfs/dbraw/zinc/14/74/98/377147498.db2.gz NXUJIHZEFBQBNK-JZXOWHBKSA-N 2 1 274.452 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000247044408 377147507 /nfs/dbraw/zinc/14/75/07/377147507.db2.gz NXUJIHZEFBQBNK-JZXOWHBKSA-N 2 1 274.452 3.452 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]2CCC[C@@H]21 ZINC000560521862 377164215 /nfs/dbraw/zinc/16/42/15/377164215.db2.gz GXJMSZIROJUDKX-ULQDDVLXSA-N 2 1 284.403 3.395 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)CC)[C@@H](C)C1 ZINC000247202406 377176138 /nfs/dbraw/zinc/17/61/38/377176138.db2.gz WLFINGPJLSQJNM-TWMKSMIVSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000247226216 377179650 /nfs/dbraw/zinc/17/96/50/377179650.db2.gz WCOIYCSQQWIHIA-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247220990 377180706 /nfs/dbraw/zinc/18/07/06/377180706.db2.gz VXVFJOOZLAYKRE-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247220990 377180714 /nfs/dbraw/zinc/18/07/14/377180714.db2.gz VXVFJOOZLAYKRE-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247220990 377180724 /nfs/dbraw/zinc/18/07/24/377180724.db2.gz VXVFJOOZLAYKRE-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000247239945 377184223 /nfs/dbraw/zinc/18/42/23/377184223.db2.gz YVUILFKXOVBJHO-IEBWSBKVSA-N 2 1 286.463 3.248 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000247253825 377185740 /nfs/dbraw/zinc/18/57/40/377185740.db2.gz YNINTOZDQVTZKB-YHUYYLMFSA-N 2 1 282.472 3.043 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000247253825 377185748 /nfs/dbraw/zinc/18/57/48/377185748.db2.gz YNINTOZDQVTZKB-YHUYYLMFSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000340675624 377208396 /nfs/dbraw/zinc/20/83/96/377208396.db2.gz IWXCXHZMRYWUJQ-KRWDZBQOSA-N 2 1 286.463 3.331 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000248127675 377268947 /nfs/dbraw/zinc/26/89/47/377268947.db2.gz OCNQVJOUPGPVTC-NEWSRXKRSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000248127675 377268956 /nfs/dbraw/zinc/26/89/56/377268956.db2.gz OCNQVJOUPGPVTC-NEWSRXKRSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000248127675 377268966 /nfs/dbraw/zinc/26/89/66/377268966.db2.gz OCNQVJOUPGPVTC-NEWSRXKRSA-N 2 1 284.447 3.480 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248014354 377257638 /nfs/dbraw/zinc/25/76/38/377257638.db2.gz LOQOMELBYPRJPX-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248014354 377257647 /nfs/dbraw/zinc/25/76/47/377257647.db2.gz LOQOMELBYPRJPX-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248014354 377257653 /nfs/dbraw/zinc/25/76/53/377257653.db2.gz LOQOMELBYPRJPX-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248036877 377261084 /nfs/dbraw/zinc/26/10/84/377261084.db2.gz RWRZWTWJDAYTSY-BBRMVZONSA-N 2 1 280.843 3.202 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000161613086 542159646 /nfs/dbraw/zinc/15/96/46/542159646.db2.gz PSMIEKVTCBKMPE-USXIJHARSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1cccc(Cl)c1 ZINC000563348858 377445822 /nfs/dbraw/zinc/44/58/22/377445822.db2.gz DDOYNTLUKPBITI-TYNCELHUSA-N 2 1 266.816 3.255 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000563352311 377445875 /nfs/dbraw/zinc/44/58/75/377445875.db2.gz BZATVRYZADCRSB-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000563352311 377445881 /nfs/dbraw/zinc/44/58/81/377445881.db2.gz BZATVRYZADCRSB-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000563137724 377407926 /nfs/dbraw/zinc/40/79/26/377407926.db2.gz LMQDXVVBJFBOJC-OALUTQOASA-N 2 1 286.463 3.249 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC3(CCCCC3)O2)CCN1C ZINC000248840302 377410739 /nfs/dbraw/zinc/41/07/39/377410739.db2.gz NOWRPQSMSATBDA-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC3(CCCCC3)O2)CC[N@@H+]1C ZINC000248840302 377410748 /nfs/dbraw/zinc/41/07/48/377410748.db2.gz NOWRPQSMSATBDA-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC3(CCCCC3)O2)CC[N@H+]1C ZINC000248840302 377410760 /nfs/dbraw/zinc/41/07/60/377410760.db2.gz NOWRPQSMSATBDA-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC3(CCCCC3)O2)CC[NH+]1C ZINC000248840302 377410768 /nfs/dbraw/zinc/41/07/68/377410768.db2.gz NOWRPQSMSATBDA-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP CCC[N@@H+](C[C@H]1CCOc2ccccc21)C1CC[NH2+]CC1 ZINC000162064303 542162807 /nfs/dbraw/zinc/16/28/07/542162807.db2.gz NANUYBWAJDOMKV-OAHLLOKOSA-N 2 1 288.435 3.017 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000341264135 377476897 /nfs/dbraw/zinc/47/68/97/377476897.db2.gz SSIXODPQRZSHMD-YOEHRIQHSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000341264135 377476908 /nfs/dbraw/zinc/47/69/08/377476908.db2.gz SSIXODPQRZSHMD-YOEHRIQHSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000090720187 249029627 /nfs/dbraw/zinc/02/96/27/249029627.db2.gz SCEBDDBLFBNCDO-RISCZKNCSA-N 2 1 286.341 3.278 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250641573 377564914 /nfs/dbraw/zinc/56/49/14/377564914.db2.gz YZQXFYMBVUQJGO-UAGQMJEPSA-N 2 1 288.435 3.363 20 0 CGADMP CCC(CC)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459474938 249151145 /nfs/dbraw/zinc/15/11/45/249151145.db2.gz ZZPDPOGWNWRFKY-SJLPKXTDSA-N 2 1 294.483 3.187 20 0 CGADMP c1ccc(CC[C@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000469879265 249161170 /nfs/dbraw/zinc/16/11/70/249161170.db2.gz FJTCCUGLRXMZLR-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000469983911 249164913 /nfs/dbraw/zinc/16/49/13/249164913.db2.gz JLKHMPHBRIWHRJ-SJORKVTESA-N 2 1 272.436 3.092 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000250584456 377563710 /nfs/dbraw/zinc/56/37/10/377563710.db2.gz WUOKBHYDZNKHLS-LTIDMASMSA-N 2 1 294.483 3.043 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C2CC2)c1 ZINC000481296879 249170185 /nfs/dbraw/zinc/17/01/85/249170185.db2.gz UXJFXZJOLTUGID-RTBURBONSA-N 2 1 286.463 3.246 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000481294577 249170283 /nfs/dbraw/zinc/17/02/83/249170283.db2.gz LHTWEXJPYZUYCK-MSOLQXFVSA-N 2 1 292.442 3.323 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cncnc2C)c1 ZINC000514680004 249185414 /nfs/dbraw/zinc/18/54/14/249185414.db2.gz VBDKKKFVRJECRD-AWEZNQCLSA-N 2 1 298.434 3.088 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251136380 377573830 /nfs/dbraw/zinc/57/38/30/377573830.db2.gz ZJQMBUVCHMEUPS-JGGQBBKZSA-N 2 1 264.388 3.336 20 0 CGADMP Clc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250761305 377566216 /nfs/dbraw/zinc/56/62/16/377566216.db2.gz IHRBHEJOQNSIAN-RYUDHWBXSA-N 2 1 270.829 3.118 20 0 CGADMP Clc1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250761305 377566223 /nfs/dbraw/zinc/56/62/23/377566223.db2.gz IHRBHEJOQNSIAN-RYUDHWBXSA-N 2 1 270.829 3.118 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000516781248 249243947 /nfs/dbraw/zinc/24/39/47/249243947.db2.gz DXHWDZFNASJBSV-KDOFPFPSSA-N 2 1 268.404 3.194 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](CCCc2cncn2C)C1 ZINC000573813369 377580622 /nfs/dbraw/zinc/58/06/22/377580622.db2.gz QAYJNTKXGUWWPV-OAHLLOKOSA-N 2 1 263.429 3.111 20 0 CGADMP CC(C)C[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000573813369 377580630 /nfs/dbraw/zinc/58/06/30/377580630.db2.gz QAYJNTKXGUWWPV-OAHLLOKOSA-N 2 1 263.429 3.111 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000573813369 377580640 /nfs/dbraw/zinc/58/06/40/377580640.db2.gz QAYJNTKXGUWWPV-OAHLLOKOSA-N 2 1 263.429 3.111 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC000516054597 249224754 /nfs/dbraw/zinc/22/47/54/249224754.db2.gz VLCIWCBZMIUARS-HUUCEWRRSA-N 2 1 287.382 3.081 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000517582472 249268304 /nfs/dbraw/zinc/26/83/04/249268304.db2.gz FFVBJNGAWYUAQH-ZWKOTPCHSA-N 2 1 283.419 3.279 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000517730988 249269794 /nfs/dbraw/zinc/26/97/94/249269794.db2.gz WMFGFMTVDDDVGL-GFCCVEGCSA-N 2 1 286.366 3.327 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000251887941 377602396 /nfs/dbraw/zinc/60/23/96/377602396.db2.gz VTMBQLMVMYPQIE-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000251887941 377602399 /nfs/dbraw/zinc/60/23/99/377602399.db2.gz VTMBQLMVMYPQIE-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000180344593 542209603 /nfs/dbraw/zinc/20/96/03/542209603.db2.gz OAPUJKCBBIWAJL-DLBZAZTESA-N 2 1 270.420 3.282 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252152375 377616142 /nfs/dbraw/zinc/61/61/42/377616142.db2.gz OTEIWHKOHMJWQG-UGUYLWEFSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252152375 377616147 /nfs/dbraw/zinc/61/61/47/377616147.db2.gz OTEIWHKOHMJWQG-UGUYLWEFSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC000251969161 377607967 /nfs/dbraw/zinc/60/79/67/377607967.db2.gz YAKUEYXJPMYXNW-ICAOIODUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000251969161 377607975 /nfs/dbraw/zinc/60/79/75/377607975.db2.gz YAKUEYXJPMYXNW-ICAOIODUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000252215514 377619532 /nfs/dbraw/zinc/61/95/32/377619532.db2.gz ZCJUCOVGDDXDLU-MELXAWMUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000252215514 377619537 /nfs/dbraw/zinc/61/95/37/377619537.db2.gz ZCJUCOVGDDXDLU-MELXAWMUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccnc2ccccc12 ZINC000574202285 377634024 /nfs/dbraw/zinc/63/40/24/377634024.db2.gz ZNRSHYSRUSRXMD-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccnc2ccccc12 ZINC000574202285 377634030 /nfs/dbraw/zinc/63/40/30/377634030.db2.gz ZNRSHYSRUSRXMD-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccnc2ccccc12 ZINC000574202285 377634038 /nfs/dbraw/zinc/63/40/38/377634038.db2.gz ZNRSHYSRUSRXMD-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccnc2ccccc12 ZINC000574202285 377634046 /nfs/dbraw/zinc/63/40/46/377634046.db2.gz ZNRSHYSRUSRXMD-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252675305 377649134 /nfs/dbraw/zinc/64/91/34/377649134.db2.gz ZMHZIJXQROOESX-KGLIPLIRSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252675305 377649139 /nfs/dbraw/zinc/64/91/39/377649139.db2.gz ZMHZIJXQROOESX-KGLIPLIRSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673709 377649682 /nfs/dbraw/zinc/64/96/82/377649682.db2.gz LHIDREUVEZNFMW-CABCVRRESA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252673709 377649690 /nfs/dbraw/zinc/64/96/90/377649690.db2.gz LHIDREUVEZNFMW-CABCVRRESA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674664 377649973 /nfs/dbraw/zinc/64/99/73/377649973.db2.gz TZFWQBZERAFJHG-KGLIPLIRSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674664 377649976 /nfs/dbraw/zinc/64/99/76/377649976.db2.gz TZFWQBZERAFJHG-KGLIPLIRSA-N 2 1 296.361 3.004 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000252764509 377662820 /nfs/dbraw/zinc/66/28/20/377662820.db2.gz HXIHQSSXLHBYQN-KEYYUXOJSA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000252764509 377662824 /nfs/dbraw/zinc/66/28/24/377662824.db2.gz HXIHQSSXLHBYQN-KEYYUXOJSA-N 2 1 276.399 3.493 20 0 CGADMP CSCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000574439202 377663549 /nfs/dbraw/zinc/66/35/49/377663549.db2.gz GVJZQBZIZCCFEG-AWEZNQCLSA-N 2 1 298.521 3.173 20 0 CGADMP CSCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574439202 377663556 /nfs/dbraw/zinc/66/35/56/377663556.db2.gz GVJZQBZIZCCFEG-AWEZNQCLSA-N 2 1 298.521 3.173 20 0 CGADMP CSCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574439202 377663559 /nfs/dbraw/zinc/66/35/59/377663559.db2.gz GVJZQBZIZCCFEG-AWEZNQCLSA-N 2 1 298.521 3.173 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000252802761 377665097 /nfs/dbraw/zinc/66/50/97/377665097.db2.gz USYCXNJYWIGCSA-JYYAWHABSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C(C)C)C1CC1)[NH+]1CCCC1 ZINC000574692669 377697291 /nfs/dbraw/zinc/69/72/91/377697291.db2.gz IHSGCIMTDBUFSI-HOTGVXAUSA-N 2 1 252.446 3.131 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000574757196 377703810 /nfs/dbraw/zinc/70/38/10/377703810.db2.gz SVJNWHJPULUJKG-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000574757196 377703817 /nfs/dbraw/zinc/70/38/17/377703817.db2.gz SVJNWHJPULUJKG-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CC1=CC[NH+](Cc2cncc(C[N@H+]3CC=C(C)CC3)c2)CC1 ZINC000574841577 377714966 /nfs/dbraw/zinc/71/49/66/377714966.db2.gz FGERTDGAAWEBFY-UHFFFAOYSA-N 2 1 297.446 3.386 20 0 CGADMP CC1=CC[NH+](Cc2cncc(C[N@@H+]3CC=C(C)CC3)c2)CC1 ZINC000574841577 377714968 /nfs/dbraw/zinc/71/49/68/377714968.db2.gz FGERTDGAAWEBFY-UHFFFAOYSA-N 2 1 297.446 3.386 20 0 CGADMP C[N@H+](CC1(C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000574861388 377717270 /nfs/dbraw/zinc/71/72/70/377717270.db2.gz DPPSUMUFNHEJSJ-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@@H+](CC1(C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000574861388 377717278 /nfs/dbraw/zinc/71/72/78/377717278.db2.gz DPPSUMUFNHEJSJ-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261686224 377840127 /nfs/dbraw/zinc/84/01/27/377840127.db2.gz ARFNXLKBWQONLF-IRXDYDNUSA-N 2 1 278.415 3.454 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000342811490 377811900 /nfs/dbraw/zinc/81/19/00/377811900.db2.gz UQRRMNVIPRDNHG-JSGCOSHPSA-N 2 1 296.842 3.311 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000342811490 377811907 /nfs/dbraw/zinc/81/19/07/377811907.db2.gz UQRRMNVIPRDNHG-JSGCOSHPSA-N 2 1 296.842 3.311 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261612056 377827179 /nfs/dbraw/zinc/82/71/79/377827179.db2.gz FCRHOWXWYIVOJK-YJBOKZPZSA-N 2 1 280.415 3.364 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261886099 377863279 /nfs/dbraw/zinc/86/32/79/377863279.db2.gz RWWZJNCTSCVTLX-INIZCTEOSA-N 2 1 264.388 3.036 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000342932221 377864406 /nfs/dbraw/zinc/86/44/06/377864406.db2.gz YJSJBMRDBGWDAY-SJLPKXTDSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000342932221 377864411 /nfs/dbraw/zinc/86/44/11/377864411.db2.gz YJSJBMRDBGWDAY-SJLPKXTDSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000342932221 377864417 /nfs/dbraw/zinc/86/44/17/377864417.db2.gz YJSJBMRDBGWDAY-SJLPKXTDSA-N 2 1 272.436 3.220 20 0 CGADMP c1ccc2oc([C@H]3CCCC[N@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000261991162 377874977 /nfs/dbraw/zinc/87/49/77/377874977.db2.gz SIBUQFBDEAULQT-GOEBONIOSA-N 2 1 299.418 3.354 20 0 CGADMP c1ccc2oc([C@H]3CCCC[N@@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000261991162 377874983 /nfs/dbraw/zinc/87/49/83/377874983.db2.gz SIBUQFBDEAULQT-GOEBONIOSA-N 2 1 299.418 3.354 20 0 CGADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000261993822 377875106 /nfs/dbraw/zinc/87/51/06/377875106.db2.gz NAWZLTZLUIEZNK-CYBMUJFWSA-N 2 1 293.455 3.355 20 0 CGADMP CC[N@@H+](C[C@H](C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262037070 377881738 /nfs/dbraw/zinc/88/17/38/377881738.db2.gz XVCZNNIVWZIJQW-RDJZCZTQSA-N 2 1 260.425 3.254 20 0 CGADMP CC1CCC([N@@H+](C[C@@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262043202 377881874 /nfs/dbraw/zinc/88/18/74/377881874.db2.gz PJCJDKBHPXRKSW-ZGUYJTEBSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262055211 377885268 /nfs/dbraw/zinc/88/52/68/377885268.db2.gz QNRTZOQGXZWHHI-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262055211 377885273 /nfs/dbraw/zinc/88/52/73/377885273.db2.gz QNRTZOQGXZWHHI-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262134572 377888055 /nfs/dbraw/zinc/88/80/55/377888055.db2.gz YNNUPRHALFCUOM-MAUKXSAKSA-N 2 1 290.426 3.395 20 0 CGADMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000262456452 377899231 /nfs/dbraw/zinc/89/92/31/377899231.db2.gz IDNNBJNBDWFDCQ-RCCFBDPRSA-N 2 1 295.430 3.102 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC[NH2+]C1 ZINC000261731147 377848091 /nfs/dbraw/zinc/84/80/91/377848091.db2.gz HEVSBZGSKHTSIC-CVEARBPZSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC[NH2+]C1 ZINC000261731147 377848095 /nfs/dbraw/zinc/84/80/95/377848095.db2.gz HEVSBZGSKHTSIC-CVEARBPZSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261823151 377858016 /nfs/dbraw/zinc/85/80/16/377858016.db2.gz INXCCGLMKONKSX-DYEKYZERSA-N 2 1 266.816 3.113 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417314 542231801 /nfs/dbraw/zinc/23/18/01/542231801.db2.gz QZCFFMMUBIETHZ-MJGOQNOKSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417314 542231804 /nfs/dbraw/zinc/23/18/04/542231804.db2.gz QZCFFMMUBIETHZ-MJGOQNOKSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417314 542231807 /nfs/dbraw/zinc/23/18/07/542231807.db2.gz QZCFFMMUBIETHZ-MJGOQNOKSA-N 2 1 295.430 3.151 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[N@@H+]1CCCC[C@H]1C ZINC000343274135 377944016 /nfs/dbraw/zinc/94/40/16/377944016.db2.gz BZHMYRVOUUIOFP-PMPSAXMXSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[N@H+]1CCCC[C@H]1C ZINC000343274135 377944021 /nfs/dbraw/zinc/94/40/21/377944021.db2.gz BZHMYRVOUUIOFP-PMPSAXMXSA-N 2 1 250.430 3.195 20 0 CGADMP c1ccc([C@H]2C[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000343092914 377901603 /nfs/dbraw/zinc/90/16/03/377901603.db2.gz NKTLGEHRUMOHNE-MAUKXSAKSA-N 2 1 270.420 3.007 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3c4ccccc4-c4ccccc43)C[C@@H]12 ZINC000262559912 377902270 /nfs/dbraw/zinc/90/22/70/377902270.db2.gz VDBFKJCFYTYPNI-MJXNMMHHSA-N 2 1 290.410 3.426 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3c4ccccc4-c4ccccc43)C[C@H]12 ZINC000262559914 377902494 /nfs/dbraw/zinc/90/24/94/377902494.db2.gz VDBFKJCFYTYPNI-ZNZDAUKMSA-N 2 1 290.410 3.426 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000575427419 377908099 /nfs/dbraw/zinc/90/80/99/377908099.db2.gz QFCQZTDVXIZQDR-OAHLLOKOSA-N 2 1 271.408 3.320 20 0 CGADMP Fc1ccc(CNCCC[NH+]2CCC2)c(C(F)(F)F)c1 ZINC000578205627 378047725 /nfs/dbraw/zinc/04/77/25/378047725.db2.gz VXYUIWWMXCZLMV-UHFFFAOYSA-N 2 1 290.304 3.030 20 0 CGADMP Fc1ccc(C[NH2+]CCC[NH+]2CCC2)c(C(F)(F)F)c1 ZINC000578205627 378047729 /nfs/dbraw/zinc/04/77/29/378047729.db2.gz VXYUIWWMXCZLMV-UHFFFAOYSA-N 2 1 290.304 3.030 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343752758 378082472 /nfs/dbraw/zinc/08/24/72/378082472.db2.gz RTSYICBDAIHQSZ-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343752758 378082477 /nfs/dbraw/zinc/08/24/77/378082477.db2.gz RTSYICBDAIHQSZ-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000268811919 378119695 /nfs/dbraw/zinc/11/96/95/378119695.db2.gz MEQCCRZXFDKWNE-OAHLLOKOSA-N 2 1 275.783 3.122 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCc1cncn1C ZINC000579001375 378120552 /nfs/dbraw/zinc/12/05/52/378120552.db2.gz QKGGWICLVFBDBA-KRWDZBQOSA-N 2 1 285.435 3.306 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000579001375 378120558 /nfs/dbraw/zinc/12/05/58/378120558.db2.gz QKGGWICLVFBDBA-KRWDZBQOSA-N 2 1 285.435 3.306 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000579001375 378120565 /nfs/dbraw/zinc/12/05/65/378120565.db2.gz QKGGWICLVFBDBA-KRWDZBQOSA-N 2 1 285.435 3.306 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268827041 378123948 /nfs/dbraw/zinc/12/39/48/378123948.db2.gz RBKZUJFUQAMRDU-NSHDSACASA-N 2 1 292.452 3.431 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000268835896 378127285 /nfs/dbraw/zinc/12/72/85/378127285.db2.gz ULMDQDSGGOHKRR-AWEZNQCLSA-N 2 1 257.381 3.159 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(Cl)c1 ZINC000343915333 378132612 /nfs/dbraw/zinc/13/26/12/378132612.db2.gz NZWOJYSYNXKXEZ-MRXNPFEDSA-N 2 1 298.858 3.349 20 0 CGADMP COc1ccsc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000268780154 378108842 /nfs/dbraw/zinc/10/88/42/378108842.db2.gz IJNYWBUKHWPGJX-UHFFFAOYSA-N 2 1 282.453 3.156 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC(C)(C)C1 ZINC000344330285 378168327 /nfs/dbraw/zinc/16/83/27/378168327.db2.gz OAXCOMQKVQGNFK-DZGCQCFKSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1ccoc1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000344513002 378173481 /nfs/dbraw/zinc/17/34/81/378173481.db2.gz AKLIIMONZAUIQP-UHFFFAOYSA-N 2 1 285.391 3.050 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000582094282 378286075 /nfs/dbraw/zinc/28/60/75/378286075.db2.gz DCMWFCMEAXDUKV-KRWDZBQOSA-N 2 1 288.479 3.458 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000583257490 378315311 /nfs/dbraw/zinc/31/53/11/378315311.db2.gz QFESTCXMWCCLFD-MOPGFXCFSA-N 2 1 295.430 3.498 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000270623930 378377911 /nfs/dbraw/zinc/37/79/11/378377911.db2.gz DXRUBYJBQXDJPV-DOTOQJQBSA-N 2 1 283.419 3.378 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000270623930 378377914 /nfs/dbraw/zinc/37/79/14/378377914.db2.gz DXRUBYJBQXDJPV-DOTOQJQBSA-N 2 1 283.419 3.378 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccs2)CC1 ZINC000271054109 378441565 /nfs/dbraw/zinc/44/15/65/378441565.db2.gz YHOOVTDTLGZBKR-UHFFFAOYSA-N 2 1 252.427 3.053 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccs2)CC1 ZINC000271054109 378441572 /nfs/dbraw/zinc/44/15/72/378441572.db2.gz YHOOVTDTLGZBKR-UHFFFAOYSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@@H](C)C1 ZINC000271942027 378525338 /nfs/dbraw/zinc/52/53/38/378525338.db2.gz BYPZHYVURWIGJC-WEOZKBJRSA-N 2 1 286.463 3.427 20 0 CGADMP CC[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346133091 378476128 /nfs/dbraw/zinc/47/61/28/378476128.db2.gz MHVNJWAXAACAMA-OAHLLOKOSA-N 2 1 284.407 3.198 20 0 CGADMP COc1ccccc1/C=C/C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346686615 378675527 /nfs/dbraw/zinc/67/55/27/378675527.db2.gz RPLASAXQSJSCHM-MNDMWVCDSA-N 2 1 276.424 3.014 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000346692337 378676928 /nfs/dbraw/zinc/67/69/28/378676928.db2.gz YFPYRQSCRVPRMS-QWRGUYRKSA-N 2 1 293.461 3.041 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346693888 378679251 /nfs/dbraw/zinc/67/92/51/378679251.db2.gz QJPKQIIGZQCESQ-MRXNPFEDSA-N 2 1 278.440 3.279 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346693888 378679254 /nfs/dbraw/zinc/67/92/54/378679254.db2.gz QJPKQIIGZQCESQ-MRXNPFEDSA-N 2 1 278.440 3.279 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346850047 378694477 /nfs/dbraw/zinc/69/44/77/378694477.db2.gz PFUWVNBTNLOVRF-ROUUACIJSA-N 2 1 272.436 3.002 20 0 CGADMP CO[C@](C)(CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950675 378642972 /nfs/dbraw/zinc/64/29/72/378642972.db2.gz FEAVFYBAJIEYCU-CIRFHOKZSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347932295 378733093 /nfs/dbraw/zinc/73/30/93/378733093.db2.gz MAIVDXFOSMZIFX-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccncc1CCC[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000348049132 378766414 /nfs/dbraw/zinc/76/64/14/378766414.db2.gz UXWXJNGCUSCZSH-CALCHBBNSA-N 2 1 289.467 3.175 20 0 CGADMP Cc1ccncc1CCC[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000348049132 378766421 /nfs/dbraw/zinc/76/64/21/378766421.db2.gz UXWXJNGCUSCZSH-CALCHBBNSA-N 2 1 289.467 3.175 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000348081109 378782734 /nfs/dbraw/zinc/78/27/34/378782734.db2.gz IFLNRESKTZPUFX-MAUKXSAKSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000348081109 378782743 /nfs/dbraw/zinc/78/27/43/378782743.db2.gz IFLNRESKTZPUFX-MAUKXSAKSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000348107091 378794956 /nfs/dbraw/zinc/79/49/56/378794956.db2.gz IQBAOQZBZRPVEO-GJZGRUSLSA-N 2 1 263.429 3.386 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3F)C[C@@H]21 ZINC000346844074 218034110 /nfs/dbraw/zinc/03/41/10/218034110.db2.gz YQPYQODVBCRZGG-PYSTUKBXSA-N 2 1 292.373 3.037 20 0 CGADMP CN(C)Cc1cnc(C[N@H+]2CCCC3(CCCC3)C2)s1 ZINC000348210842 378840636 /nfs/dbraw/zinc/84/06/36/378840636.db2.gz CNOYOTZGQYCUCL-UHFFFAOYSA-N 2 1 293.480 3.361 20 0 CGADMP CN(C)Cc1cnc(CN2CCCC3(CCCC3)C2)s1 ZINC000348210842 378840641 /nfs/dbraw/zinc/84/06/41/378840641.db2.gz CNOYOTZGQYCUCL-UHFFFAOYSA-N 2 1 293.480 3.361 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348249171 378863856 /nfs/dbraw/zinc/86/38/56/378863856.db2.gz UTMVYOBHTQCNKS-DLBZAZTESA-N 2 1 260.425 3.110 20 0 CGADMP FCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638756067 378900081 /nfs/dbraw/zinc/90/00/81/378900081.db2.gz DQIFZESOQCKEHK-RDJZCZTQSA-N 2 1 276.399 3.304 20 0 CGADMP FCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638756067 378900084 /nfs/dbraw/zinc/90/00/84/378900084.db2.gz DQIFZESOQCKEHK-RDJZCZTQSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H](C[NH3+])C3)c2)cc1 ZINC000347008992 218090847 /nfs/dbraw/zinc/09/08/47/218090847.db2.gz FERPZUURWZDZPO-QGZVFWFLSA-N 2 1 280.415 3.443 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000346982348 218078374 /nfs/dbraw/zinc/07/83/74/218078374.db2.gz NNLFBUVHCXPEBR-MRXNPFEDSA-N 2 1 264.457 3.422 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638770001 378907585 /nfs/dbraw/zinc/90/75/85/378907585.db2.gz ZNTLVHKAITXLEJ-KDOFPFPSSA-N 2 1 299.418 3.400 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347132749 218132685 /nfs/dbraw/zinc/13/26/85/218132685.db2.gz RNKNLJDDVAUXKO-JPIQDLEPSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000347131582 218133108 /nfs/dbraw/zinc/13/31/08/218133108.db2.gz RIPODYXACWSPCS-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347181883 218147670 /nfs/dbraw/zinc/14/76/70/218147670.db2.gz VOFBWBDAVMHHQJ-INIZCTEOSA-N 2 1 288.435 3.179 20 0 CGADMP CCC[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000370402411 379014292 /nfs/dbraw/zinc/01/42/92/379014292.db2.gz AMLGUTZVTWRJLN-NJAFHUGGSA-N 2 1 289.467 3.442 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347211859 218156816 /nfs/dbraw/zinc/15/68/16/218156816.db2.gz PGZXLDTVHXUKPB-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3n2)[C@H](C)C1 ZINC000347368307 218208804 /nfs/dbraw/zinc/20/88/04/218208804.db2.gz XRYUCTBCGAHACW-QAPCUYQASA-N 2 1 297.446 3.097 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277296192 379122006 /nfs/dbraw/zinc/12/20/06/379122006.db2.gz TWUXECNNDWAXJJ-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277296192 379122014 /nfs/dbraw/zinc/12/20/14/379122014.db2.gz TWUXECNNDWAXJJ-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)CC1 ZINC000277340486 379136127 /nfs/dbraw/zinc/13/61/27/379136127.db2.gz WCHSUTUJZXAGDX-OAHLLOKOSA-N 2 1 272.392 3.349 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC000277340486 379136133 /nfs/dbraw/zinc/13/61/33/379136133.db2.gz WCHSUTUJZXAGDX-OAHLLOKOSA-N 2 1 272.392 3.349 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4ncccc34)C2)C1 ZINC000639207762 379141825 /nfs/dbraw/zinc/14/18/25/379141825.db2.gz KPFOTVVOSHJKJT-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4ncccc34)C2)C1 ZINC000639207762 379141832 /nfs/dbraw/zinc/14/18/32/379141832.db2.gz KPFOTVVOSHJKJT-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4ncccc34)C2)C1 ZINC000639207762 379141839 /nfs/dbraw/zinc/14/18/39/379141839.db2.gz KPFOTVVOSHJKJT-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C/C=C\c1ccncc1 ZINC000349153098 379171928 /nfs/dbraw/zinc/17/19/28/379171928.db2.gz RHLVXBAPJGTJIO-XQRVVYSFSA-N 2 1 298.434 3.266 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C/C=C\c1ccncc1 ZINC000349153098 379171935 /nfs/dbraw/zinc/17/19/35/379171935.db2.gz RHLVXBAPJGTJIO-XQRVVYSFSA-N 2 1 298.434 3.266 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000372528524 379197033 /nfs/dbraw/zinc/19/70/33/379197033.db2.gz BQTNPTZDPMTPQR-ZTFGCOKTSA-N 2 1 283.419 3.363 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H](C)CC1CCOCC1 ZINC000349367920 379253887 /nfs/dbraw/zinc/25/38/87/379253887.db2.gz MQQCEKKSAMMUKE-QGZVFWFLSA-N 2 1 296.499 3.247 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CCSCc1ccccc1 ZINC000349373920 379256142 /nfs/dbraw/zinc/25/61/42/379256142.db2.gz XTAQDJHJVLMCBG-UHFFFAOYSA-N 2 1 280.481 3.193 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000349387779 379263226 /nfs/dbraw/zinc/26/32/26/379263226.db2.gz WOJQJTUASSPMJY-GOEBONIOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000349387779 379263236 /nfs/dbraw/zinc/26/32/36/379263236.db2.gz WOJQJTUASSPMJY-GOEBONIOSA-N 2 1 263.429 3.340 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000639378549 379337921 /nfs/dbraw/zinc/33/79/21/379337921.db2.gz IECVFKFEVIDKAM-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000374075650 379371378 /nfs/dbraw/zinc/37/13/78/379371378.db2.gz VTQHTWXSWMASGL-UHFFFAOYSA-N 2 1 299.418 3.136 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2c(C)cc(C)nc2C)C1 ZINC000639504779 379440855 /nfs/dbraw/zinc/44/08/55/379440855.db2.gz BAQZMTAIGVLCBR-QGZVFWFLSA-N 2 1 289.467 3.171 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C)nc2C)C1 ZINC000639504779 379440856 /nfs/dbraw/zinc/44/08/56/379440856.db2.gz BAQZMTAIGVLCBR-QGZVFWFLSA-N 2 1 289.467 3.171 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C)nc2C)C1 ZINC000639504779 379440858 /nfs/dbraw/zinc/44/08/58/379440858.db2.gz BAQZMTAIGVLCBR-QGZVFWFLSA-N 2 1 289.467 3.171 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639504779 379440863 /nfs/dbraw/zinc/44/08/63/379440863.db2.gz BAQZMTAIGVLCBR-QGZVFWFLSA-N 2 1 289.467 3.171 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639504779 379440867 /nfs/dbraw/zinc/44/08/67/379440867.db2.gz BAQZMTAIGVLCBR-QGZVFWFLSA-N 2 1 289.467 3.171 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCc3ccccc3[C@H]2CO)c(C)n1 ZINC000639538841 379462534 /nfs/dbraw/zinc/46/25/34/379462534.db2.gz WENXGHBBWPZYGH-LJQANCHMSA-N 2 1 296.414 3.099 20 0 CGADMP Cc1cc(C)c(CN2CCc3ccccc3[C@H]2CO)c(C)n1 ZINC000639538841 379462541 /nfs/dbraw/zinc/46/25/41/379462541.db2.gz WENXGHBBWPZYGH-LJQANCHMSA-N 2 1 296.414 3.099 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2cccnc2)C1 ZINC000639693635 379549164 /nfs/dbraw/zinc/54/91/64/379549164.db2.gz RHKIIPIKTKGJHE-QZTJIDSGSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639693635 379549171 /nfs/dbraw/zinc/54/91/71/379549171.db2.gz RHKIIPIKTKGJHE-QZTJIDSGSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639693635 379549179 /nfs/dbraw/zinc/54/91/79/379549179.db2.gz RHKIIPIKTKGJHE-QZTJIDSGSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4ncccc4c3)C2)CC1 ZINC000639756661 379570175 /nfs/dbraw/zinc/57/01/75/379570175.db2.gz BCHPPEZDRCEWIB-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1ccccc1 ZINC000377084132 379629266 /nfs/dbraw/zinc/62/92/66/379629266.db2.gz QJTIJKPFJJXLJC-VOPPSRPRSA-N 2 1 284.447 3.393 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000376798843 379604356 /nfs/dbraw/zinc/60/43/56/379604356.db2.gz KQLXYNFFESFWFY-UHFFFAOYSA-N 2 1 281.403 3.182 20 0 CGADMP CCC1([NH+](C)C)CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000640016365 379686823 /nfs/dbraw/zinc/68/68/23/379686823.db2.gz ZNGWMAFAGLTCHL-IAGOWNOFSA-N 2 1 272.436 3.349 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000280687921 379764568 /nfs/dbraw/zinc/76/45/68/379764568.db2.gz ATCZOFCBAGQQNO-DKIMLUQUSA-N 2 1 272.436 3.253 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCCCOc1ccccc1 ZINC000352534019 379846262 /nfs/dbraw/zinc/84/62/62/379846262.db2.gz CHCHKKBQWGLEHS-QGZVFWFLSA-N 2 1 290.451 3.439 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352718205 379921019 /nfs/dbraw/zinc/92/10/19/379921019.db2.gz JCSWOOOCMLEQSS-QQFBHYJXSA-N 2 1 282.472 3.043 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)[C@@H]1CC1(C)C ZINC000397669804 379924112 /nfs/dbraw/zinc/92/41/12/379924112.db2.gz FLMUPEJFSXZCDY-KKUMJFAQSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(SC)s2)C1 ZINC000352792658 379964277 /nfs/dbraw/zinc/96/42/77/379964277.db2.gz BUZKCWYQAPEWAP-LBPRGKRZSA-N 2 1 284.494 3.292 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C)c1 ZINC000401725070 379959508 /nfs/dbraw/zinc/95/95/08/379959508.db2.gz LCTASZTZRDGKOY-INIZCTEOSA-N 2 1 257.381 3.012 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000410393875 380092395 /nfs/dbraw/zinc/09/23/95/380092395.db2.gz YTGUEYMQRFOCIB-IAGOWNOFSA-N 2 1 284.488 3.101 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000641796618 380109033 /nfs/dbraw/zinc/10/90/33/380109033.db2.gz DPAHDARLLRBETM-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000641796618 380109040 /nfs/dbraw/zinc/10/90/40/380109040.db2.gz DPAHDARLLRBETM-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000641796935 380109479 /nfs/dbraw/zinc/10/94/79/380109479.db2.gz MLWXPCICKMNOII-XJKSGUPXSA-N 2 1 299.418 3.209 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)[C@@H]1CCC[NH3+] ZINC000641825578 380114787 /nfs/dbraw/zinc/11/47/87/380114787.db2.gz ZQMOMBAREKEQRR-BRWVUGGUSA-N 2 1 294.483 3.318 20 0 CGADMP Cc1cccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000642621067 380182429 /nfs/dbraw/zinc/18/24/29/380182429.db2.gz NVIYOXUALLDFGT-CALCHBBNSA-N 2 1 274.452 3.453 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC000414149766 380193225 /nfs/dbraw/zinc/19/32/25/380193225.db2.gz OJWQKMICWLDAEG-JKSUJKDBSA-N 2 1 296.499 3.433 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000414176973 380200383 /nfs/dbraw/zinc/20/03/83/380200383.db2.gz IPRADDWXMPCJMW-OWCLPIDISA-N 2 1 270.436 3.226 20 0 CGADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000643058157 380210537 /nfs/dbraw/zinc/21/05/37/380210537.db2.gz JCEIRMGXLVFBRQ-KBPBESRZSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000353926937 380238823 /nfs/dbraw/zinc/23/88/23/380238823.db2.gz HQNRVYAAUSPONN-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000643502555 380326250 /nfs/dbraw/zinc/32/62/50/380326250.db2.gz KAMYYCRLODLHHA-BRWVUGGUSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507212 380330000 /nfs/dbraw/zinc/33/00/00/380330000.db2.gz VYWPEYCCJVAKEB-CQSZACIVSA-N 2 1 260.425 3.084 20 0 CGADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C1(c2ccccc2)CCCC1 ZINC000643507794 380330369 /nfs/dbraw/zinc/33/03/69/380330369.db2.gz PQJHUKRGZCVLRB-OAHLLOKOSA-N 2 1 272.436 3.229 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643513499 380333951 /nfs/dbraw/zinc/33/39/51/380333951.db2.gz DOXDYUUDBQYFBX-CQSZACIVSA-N 2 1 268.351 3.059 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000643467481 380314922 /nfs/dbraw/zinc/31/49/22/380314922.db2.gz KJKZAIVWHJJZMG-ARFHVFGLSA-N 2 1 296.842 3.277 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCOc2cccc(Cl)c2)CC[NH2+]1 ZINC000414672598 380363917 /nfs/dbraw/zinc/36/39/17/380363917.db2.gz AWUFXPBBPQZTFM-KGLIPLIRSA-N 2 1 296.842 3.039 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cn1 ZINC000643548714 380365508 /nfs/dbraw/zinc/36/55/08/380365508.db2.gz UCKUUKXJKKADCO-YPMHNXCESA-N 2 1 279.815 3.060 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccsc2)CC[NH2+]1 ZINC000414676592 380367021 /nfs/dbraw/zinc/36/70/21/380367021.db2.gz NXUBSWVENDMFHT-UMVBOHGHSA-N 2 1 264.438 3.273 20 0 CGADMP CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684123 380372778 /nfs/dbraw/zinc/37/27/78/380372778.db2.gz UVWVIZCGRXYPBU-UKRRQHHQSA-N 2 1 264.388 3.036 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684571 380373242 /nfs/dbraw/zinc/37/32/42/380373242.db2.gz VZMXNKQNLRSEMU-MGPQQGTHSA-N 2 1 264.388 3.207 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414687919 380375397 /nfs/dbraw/zinc/37/53/97/380375397.db2.gz CSNHTMLGGGQRDR-ZQDZILKHSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000414708887 380383881 /nfs/dbraw/zinc/38/38/81/380383881.db2.gz DFCSLKSHOODFBP-CQSZACIVSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000414708887 380383887 /nfs/dbraw/zinc/38/38/87/380383887.db2.gz DFCSLKSHOODFBP-CQSZACIVSA-N 2 1 284.806 3.443 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](C)(c3ccccc3)C2)CC[NH2+]1 ZINC000414734318 380388978 /nfs/dbraw/zinc/38/89/78/380388978.db2.gz DNBVYKRHTUYLFG-NUJGCVRESA-N 2 1 272.436 3.038 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771725 380397101 /nfs/dbraw/zinc/39/71/01/380397101.db2.gz AHSXEFHNCOHBDD-GJZGRUSLSA-N 2 1 284.403 3.254 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)CC2(c3ccccc3)CC2)CC[NH2+]1 ZINC000414760135 380394145 /nfs/dbraw/zinc/39/41/45/380394145.db2.gz YANCUEARXMIJFQ-JKSUJKDBSA-N 2 1 272.436 3.038 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000643525912 380340486 /nfs/dbraw/zinc/34/04/86/380340486.db2.gz IGHJWYHQOVYGTJ-PELKAZGASA-N 2 1 261.196 3.381 20 0 CGADMP Cc1cc([C@@H]2CCC[N@@H+]2CCC[NH3+])ccc1Br ZINC000414760960 380394755 /nfs/dbraw/zinc/39/47/55/380394755.db2.gz ZMHSENQGAAZZDG-AWEZNQCLSA-N 2 1 297.240 3.243 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2CCC[NH3+])ccc1Br ZINC000414760960 380394758 /nfs/dbraw/zinc/39/47/58/380394758.db2.gz ZMHSENQGAAZZDG-AWEZNQCLSA-N 2 1 297.240 3.243 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643529180 380347153 /nfs/dbraw/zinc/34/71/53/380347153.db2.gz WMZOGAGFIJBSMJ-ZWNOBZJWSA-N 2 1 274.330 3.483 20 0 CGADMP C[N@@H+]([C@H]1CC[C@](C)(c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000414651692 380352429 /nfs/dbraw/zinc/35/24/29/380352429.db2.gz FVTSUUFRCHDSOZ-ROUUACIJSA-N 2 1 272.436 3.181 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000354180938 380356807 /nfs/dbraw/zinc/35/68/07/380356807.db2.gz KDXVDQKYODIJEW-WBVHZDCISA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000354180938 380356817 /nfs/dbraw/zinc/35/68/17/380356817.db2.gz KDXVDQKYODIJEW-WBVHZDCISA-N 2 1 289.467 3.033 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546525 380359869 /nfs/dbraw/zinc/35/98/69/380359869.db2.gz QEFVCMKMUOZOBX-CABCVRRESA-N 2 1 288.435 3.329 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414818791 380430433 /nfs/dbraw/zinc/43/04/33/380430433.db2.gz WNWQTSMZBRIJOW-CYBMUJFWSA-N 2 1 277.437 3.212 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC(F)F)cc2)CCCCC1 ZINC000414835040 380441888 /nfs/dbraw/zinc/44/18/88/380441888.db2.gz CUFWMETYOGAACF-UHFFFAOYSA-N 2 1 298.377 3.082 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000348107089 218460849 /nfs/dbraw/zinc/46/08/49/218460849.db2.gz IQBAOQZBZRPVEO-CABCVRRESA-N 2 1 263.429 3.386 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414845699 380450318 /nfs/dbraw/zinc/45/03/18/380450318.db2.gz RLJPOYFNZWDLRV-UHFFFAOYSA-N 2 1 276.424 3.009 20 0 CGADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)Cc1ccccc1 ZINC000414851802 380454432 /nfs/dbraw/zinc/45/44/32/380454432.db2.gz PRPQCNGMIHWRJX-YJBOKZPZSA-N 2 1 274.452 3.362 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C(F)(F)F ZINC000414773850 380398333 /nfs/dbraw/zinc/39/83/33/380398333.db2.gz TZLJEMTYNGNRHE-ZFWWWQNUSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C(F)(F)F ZINC000414773850 380398340 /nfs/dbraw/zinc/39/83/40/380398340.db2.gz TZLJEMTYNGNRHE-ZFWWWQNUSA-N 2 1 298.352 3.198 20 0 CGADMP Clc1csc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774721 380399034 /nfs/dbraw/zinc/39/90/34/380399034.db2.gz FUXSQKPBOKTXLS-NWDGAFQWSA-N 2 1 284.856 3.223 20 0 CGADMP Clc1sccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782784 380402702 /nfs/dbraw/zinc/40/27/02/380402702.db2.gz OVPPUXPVKBYXTH-NEPJUHHUSA-N 2 1 284.856 3.223 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781922 380403475 /nfs/dbraw/zinc/40/34/75/380403475.db2.gz NSWWPCSHGJWUEW-RBUKOAKNSA-N 2 1 284.447 3.386 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1Cl ZINC000414852723 380455902 /nfs/dbraw/zinc/45/59/02/380455902.db2.gz RJJBIBFLYKQHED-CYBMUJFWSA-N 2 1 254.805 3.111 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414789943 380406973 /nfs/dbraw/zinc/40/69/73/380406973.db2.gz GBPNIVGNQZGHPG-LLVKDONJSA-N 2 1 292.757 3.014 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414800902 380412729 /nfs/dbraw/zinc/41/27/29/380412729.db2.gz GGDUGNDHNQEUTH-XJKSGUPXSA-N 2 1 260.425 3.070 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000414801831 380414833 /nfs/dbraw/zinc/41/48/33/380414833.db2.gz MICYFMWFMOYBFR-GOSISDBHSA-N 2 1 282.387 3.306 20 0 CGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000414806445 380417591 /nfs/dbraw/zinc/41/75/91/380417591.db2.gz QIKNEOFCIYSHFA-AAEUAGOBSA-N 2 1 291.420 3.010 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1SC ZINC000414807795 380419745 /nfs/dbraw/zinc/41/97/45/380419745.db2.gz DEOZCMRYMXHMMD-DZGCQCFKSA-N 2 1 280.481 3.447 20 0 CGADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414807252 380420513 /nfs/dbraw/zinc/42/05/13/380420513.db2.gz NUHRJQHPBSVMOX-LKFCYVNXSA-N 2 1 287.234 3.251 20 0 CGADMP CCCc1csc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000414809423 380421652 /nfs/dbraw/zinc/42/16/52/380421652.db2.gz GOTWBVVSXUQLDG-GFCCVEGCSA-N 2 1 289.448 3.405 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000414811341 380422582 /nfs/dbraw/zinc/42/25/82/380422582.db2.gz ZKGPCZQTICLNAU-UHFFFAOYSA-N 2 1 294.439 3.090 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415073066 380506563 /nfs/dbraw/zinc/50/65/63/380506563.db2.gz YYNYPXFTASOQRI-QZTJIDSGSA-N 2 1 274.452 3.423 20 0 CGADMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(OC)cc1 ZINC000268800421 190434235 /nfs/dbraw/zinc/43/42/35/190434235.db2.gz JBWSVJLIQLHLAM-KRWDZBQOSA-N 2 1 287.407 3.331 20 0 CGADMP [NH3+]C1(C[NH2+]C/C=C\c2ccccc2)CCCCCC1 ZINC000414857715 380459280 /nfs/dbraw/zinc/45/92/80/380459280.db2.gz FJVRVLFYMMFHCL-FLIBITNWSA-N 2 1 258.409 3.341 20 0 CGADMP C[NH2+]CCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414860743 380460931 /nfs/dbraw/zinc/46/09/31/380460931.db2.gz QMDMKAUTKHQBEY-UHFFFAOYSA-N 2 1 294.345 3.140 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414876235 380469855 /nfs/dbraw/zinc/46/98/55/380469855.db2.gz KHQOPBIUVVQNGL-DOTOQJQBSA-N 2 1 275.440 3.120 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417300630 380588257 /nfs/dbraw/zinc/58/82/57/380588257.db2.gz AQCUYIABVJQSTH-SBJFKYEJSA-N 2 1 278.465 3.312 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417300630 380588262 /nfs/dbraw/zinc/58/82/62/380588262.db2.gz AQCUYIABVJQSTH-SBJFKYEJSA-N 2 1 278.465 3.312 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420293656 380845375 /nfs/dbraw/zinc/84/53/75/380845375.db2.gz AAVHDHVRZFMMFL-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc([C@H]2CSCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420318346 380847071 /nfs/dbraw/zinc/84/70/71/380847071.db2.gz ONGXQTUNNYBRLO-NVXWUHKLSA-N 2 1 290.476 3.166 20 0 CGADMP C1C([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC12CCCCC2 ZINC000421334101 380879155 /nfs/dbraw/zinc/87/91/55/380879155.db2.gz PILYYDTVOYTYBI-GOEBONIOSA-N 2 1 262.441 3.316 20 0 CGADMP Cc1c[nH+]ccc1N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000359484956 381349970 /nfs/dbraw/zinc/34/99/70/381349970.db2.gz RTNDXZRQGAIJRO-UHFFFAOYSA-N 2 1 295.430 3.491 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000360235101 381493359 /nfs/dbraw/zinc/49/33/59/381493359.db2.gz RQTCDFRJZKNGGU-HUUCEWRRSA-N 2 1 288.435 3.099 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000334856762 207194387 /nfs/dbraw/zinc/19/43/87/207194387.db2.gz KSAQKBSAOYVFKA-GWCFXTLKSA-N 2 1 278.783 3.174 20 0 CGADMP Cc1[nH+]ccn1CCCN1CCn2c(cc3ccccc32)C1 ZINC000361514037 381782005 /nfs/dbraw/zinc/78/20/05/381782005.db2.gz JVJYYFZVLIRZFH-UHFFFAOYSA-N 2 1 294.402 3.052 20 0 CGADMP C(CC1CCCCC1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361580090 381815346 /nfs/dbraw/zinc/81/53/46/381815346.db2.gz VWCBYNPVMPVBPQ-UHFFFAOYSA-N 2 1 294.483 3.191 20 0 CGADMP CCC1(CC)C[N@H+](CCCn2cc[nH+]c2C)CCS1 ZINC000362251827 381920927 /nfs/dbraw/zinc/92/09/27/381920927.db2.gz UNZNSZVVVXLCFG-UHFFFAOYSA-N 2 1 281.469 3.189 20 0 CGADMP CCC1(CC)C[N@@H+](CCCn2cc[nH+]c2C)CCS1 ZINC000362251827 381920931 /nfs/dbraw/zinc/92/09/31/381920931.db2.gz UNZNSZVVVXLCFG-UHFFFAOYSA-N 2 1 281.469 3.189 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000226540286 542291603 /nfs/dbraw/zinc/29/16/03/542291603.db2.gz CQYUPSBGHKXYAL-ZWKOTPCHSA-N 2 1 290.451 3.056 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362921986 382149574 /nfs/dbraw/zinc/14/95/74/382149574.db2.gz LASWHUYYFRTENU-UHFFFAOYSA-N 2 1 289.398 3.269 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000363459515 382225044 /nfs/dbraw/zinc/22/50/44/382225044.db2.gz NMGHEMWPQQOEBY-KRWDZBQOSA-N 2 1 299.418 3.427 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000363459515 382225048 /nfs/dbraw/zinc/22/50/48/382225048.db2.gz NMGHEMWPQQOEBY-KRWDZBQOSA-N 2 1 299.418 3.427 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000235168712 542311243 /nfs/dbraw/zinc/31/12/43/542311243.db2.gz NACVSRNTFUGRCW-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000235168712 542311247 /nfs/dbraw/zinc/31/12/47/542311247.db2.gz NACVSRNTFUGRCW-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP Fc1cccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000245735497 542323320 /nfs/dbraw/zinc/32/33/20/542323320.db2.gz KDTMSYGVMKHVRI-CVEARBPZSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000245735497 542323324 /nfs/dbraw/zinc/32/33/24/542323324.db2.gz KDTMSYGVMKHVRI-CVEARBPZSA-N 2 1 274.383 3.031 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251902929 542348631 /nfs/dbraw/zinc/34/86/31/542348631.db2.gz WZZXVRLXSDKMRS-YWPYICTPSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251902929 542348632 /nfs/dbraw/zinc/34/86/32/542348632.db2.gz WZZXVRLXSDKMRS-YWPYICTPSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413131 296343245 /nfs/dbraw/zinc/34/32/45/296343245.db2.gz ZVHMEDQUSDQQMN-TVFCKZIOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435394430 285017463 /nfs/dbraw/zinc/01/74/63/285017463.db2.gz NGWJSTGEWZYUGZ-WBVHZDCISA-N 2 1 290.451 3.263 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000335359422 208270092 /nfs/dbraw/zinc/27/00/92/208270092.db2.gz ISGVOWWVRVSSSI-KGLIPLIRSA-N 2 1 269.392 3.107 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C)C[C@@H]1C ZINC000353746637 220296207 /nfs/dbraw/zinc/29/62/07/220296207.db2.gz MKTKRZMKSHRYIP-WMLDXEAASA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C)C[C@@H]1C ZINC000353746637 220296212 /nfs/dbraw/zinc/29/62/12/220296212.db2.gz MKTKRZMKSHRYIP-WMLDXEAASA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)C[C@@H]1C ZINC000353746637 220296214 /nfs/dbraw/zinc/29/62/14/220296214.db2.gz MKTKRZMKSHRYIP-WMLDXEAASA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)C[C@@H]1C ZINC000353746637 220296217 /nfs/dbraw/zinc/29/62/17/220296217.db2.gz MKTKRZMKSHRYIP-WMLDXEAASA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770429 220317729 /nfs/dbraw/zinc/31/77/29/220317729.db2.gz UQXLFBPVCRVMMA-ZBFHGGJFSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770429 220317731 /nfs/dbraw/zinc/31/77/31/220317731.db2.gz UQXLFBPVCRVMMA-ZBFHGGJFSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770429 220317734 /nfs/dbraw/zinc/31/77/34/220317734.db2.gz UQXLFBPVCRVMMA-ZBFHGGJFSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000350262405 219003899 /nfs/dbraw/zinc/00/38/99/219003899.db2.gz ZGSKZJAWWHDRHV-SJLPKXTDSA-N 2 1 290.451 3.180 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289056793 197223063 /nfs/dbraw/zinc/22/30/63/197223063.db2.gz AFSMMXUDIOXVPH-UJAVWCLSSA-N 2 1 294.389 3.394 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289056793 197223065 /nfs/dbraw/zinc/22/30/65/197223065.db2.gz AFSMMXUDIOXVPH-UJAVWCLSSA-N 2 1 294.389 3.394 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000311947361 542431248 /nfs/dbraw/zinc/43/12/48/542431248.db2.gz XGFPOQGGLFUDQQ-GASCZTMLSA-N 2 1 278.827 3.080 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337989744 542483026 /nfs/dbraw/zinc/48/30/26/542483026.db2.gz NLEMBUCZULKYEM-KKUMJFAQSA-N 2 1 258.425 3.225 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337989746 542483243 /nfs/dbraw/zinc/48/32/43/542483243.db2.gz NLEMBUCZULKYEM-SOUVJXGZSA-N 2 1 258.425 3.225 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283488390 195867282 /nfs/dbraw/zinc/86/72/82/195867282.db2.gz XTLWFUSFUKKPNY-CCKFTAQKSA-N 2 1 284.447 3.395 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000359643603 542580135 /nfs/dbraw/zinc/58/01/35/542580135.db2.gz PWTGDHMHHOAMFJ-INIZCTEOSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000359643603 542580139 /nfs/dbraw/zinc/58/01/39/542580139.db2.gz PWTGDHMHHOAMFJ-INIZCTEOSA-N 2 1 264.388 3.133 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+][C@@H](C[NH3+])C3CC3)ccc2c1 ZINC000423285842 533337484 /nfs/dbraw/zinc/33/74/84/533337484.db2.gz YVRQZAZACJYMJY-SGTLLEGYSA-N 2 1 284.403 3.236 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+]C[C@H]([NH3+])C3CC3)c(C)c2c1 ZINC000423336545 533359225 /nfs/dbraw/zinc/35/92/25/533359225.db2.gz XTXFJGHUFJPRSI-ABAIWWIYSA-N 2 1 288.391 3.138 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1C ZINC000414069063 533384047 /nfs/dbraw/zinc/38/40/47/533384047.db2.gz RGIBPEAANVXZAL-IIDMSEBBSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1C ZINC000414069063 533384050 /nfs/dbraw/zinc/38/40/50/533384050.db2.gz RGIBPEAANVXZAL-IIDMSEBBSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000423299954 533408615 /nfs/dbraw/zinc/40/86/15/533408615.db2.gz QOPADIZFWLDIBQ-JGVFFNPUSA-N 2 1 279.186 3.378 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423315465 533412827 /nfs/dbraw/zinc/41/28/27/533412827.db2.gz ITRLBBIOIPQTIE-AMIZOPFISA-N 2 1 273.207 3.381 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378921779 542593522 /nfs/dbraw/zinc/59/35/22/542593522.db2.gz PUKUUNSTTNPQEE-ZSYWTGECSA-N 2 1 284.447 3.287 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000414922897 542640825 /nfs/dbraw/zinc/64/08/25/542640825.db2.gz HROJZTPNAIEPGK-ZIAGYGMSSA-N 2 1 287.432 3.170 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000414922471 542641026 /nfs/dbraw/zinc/64/10/26/542641026.db2.gz GYIPYMOLDPZNBB-VHSXEESVSA-N 2 1 291.197 3.492 20 0 CGADMP C[N@H+](CC[NH2+]C(C1CC1)C1CC1)C1CCCCC1 ZINC000053344074 392085079 /nfs/dbraw/zinc/08/50/79/392085079.db2.gz LKCCWQQFKPTHAP-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+]C(C1CC1)C1CC1)C1CCCCC1 ZINC000053344074 392085085 /nfs/dbraw/zinc/08/50/85/392085085.db2.gz LKCCWQQFKPTHAP-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000086675277 392224956 /nfs/dbraw/zinc/22/49/56/392224956.db2.gz KDUUBJXOYSIOLG-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000361877619 392350676 /nfs/dbraw/zinc/35/06/76/392350676.db2.gz QKLFMIAALWHUAX-DNVCBOLYSA-N 2 1 295.430 3.178 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113515551 392382657 /nfs/dbraw/zinc/38/26/57/392382657.db2.gz FNGRIRJZQWEDQB-INIZCTEOSA-N 2 1 260.425 3.194 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)CC[N@H+]1C ZINC000153396971 392517285 /nfs/dbraw/zinc/51/72/85/392517285.db2.gz IQNGHSCNTPBNOK-HNAYVOBHSA-N 2 1 295.430 3.321 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000295028483 392542402 /nfs/dbraw/zinc/54/24/02/392542402.db2.gz LINHYRSWJNUZMG-WBTNSWJXSA-N 2 1 286.419 3.115 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000295028483 392542406 /nfs/dbraw/zinc/54/24/06/392542406.db2.gz LINHYRSWJNUZMG-WBTNSWJXSA-N 2 1 286.419 3.115 20 0 CGADMP Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc[nH+]1 ZINC000302555018 392616141 /nfs/dbraw/zinc/61/61/41/392616141.db2.gz JKTMPFPUKSRMHD-IAGOWNOFSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000302154507 392610949 /nfs/dbraw/zinc/61/09/49/392610949.db2.gz MAECMXAQABRKMQ-CABCVRRESA-N 2 1 281.403 3.216 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178974432 392685989 /nfs/dbraw/zinc/68/59/89/392685989.db2.gz DBKGMIYSJUGMOM-CZUORRHYSA-N 2 1 276.399 3.003 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000647289964 392640421 /nfs/dbraw/zinc/64/04/21/392640421.db2.gz RCDZTGUZWSOBBJ-PVAVHDDUSA-N 2 1 275.440 3.241 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000647289964 392640425 /nfs/dbraw/zinc/64/04/25/392640425.db2.gz RCDZTGUZWSOBBJ-PVAVHDDUSA-N 2 1 275.440 3.241 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000647343754 392692049 /nfs/dbraw/zinc/69/20/49/392692049.db2.gz BQGTXIQUDZIELD-IQRFUGTFSA-N 2 1 286.463 3.356 20 0 CGADMP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1C ZINC000647483024 392739180 /nfs/dbraw/zinc/73/91/80/392739180.db2.gz RWUZBZBLEQIHJK-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000647531341 392752347 /nfs/dbraw/zinc/75/23/47/392752347.db2.gz PQPMWSOWYVPAGS-UHFFFAOYSA-N 2 1 299.393 3.201 20 0 CGADMP CCc1cccc(Cl)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531051 392752419 /nfs/dbraw/zinc/75/24/19/392752419.db2.gz ZCRRPFPSJBDXEA-UHFFFAOYSA-N 2 1 266.816 3.216 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000647535762 392756042 /nfs/dbraw/zinc/75/60/42/392756042.db2.gz JCLPGXMPOCJZBC-OAHLLOKOSA-N 2 1 260.425 3.025 20 0 CGADMP CC[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647936814 392837506 /nfs/dbraw/zinc/83/75/06/392837506.db2.gz LSKSJRHKVSAMNO-QAPCUYQASA-N 2 1 298.430 3.278 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647800451 392801814 /nfs/dbraw/zinc/80/18/14/392801814.db2.gz BELYPUIPKZCDTP-QWRGUYRKSA-N 2 1 252.789 3.045 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@@H]21 ZINC000647907788 392831104 /nfs/dbraw/zinc/83/11/04/392831104.db2.gz VASHMXCKCOPZHU-SLFFLAALSA-N 2 1 294.442 3.442 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC2CCC1CC2 ZINC000381883762 392915169 /nfs/dbraw/zinc/91/51/69/392915169.db2.gz KPJIYUBLSLIUFG-MFYFJRRASA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC2CCC1CC2 ZINC000381883762 392915174 /nfs/dbraw/zinc/91/51/74/392915174.db2.gz KPJIYUBLSLIUFG-MFYFJRRASA-N 2 1 276.468 3.418 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000336356855 392850660 /nfs/dbraw/zinc/85/06/60/392850660.db2.gz NBHQLJQAJPODHR-LRDDRELGSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000336356855 392850663 /nfs/dbraw/zinc/85/06/63/392850663.db2.gz NBHQLJQAJPODHR-LRDDRELGSA-N 2 1 278.827 3.211 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCCC1 ZINC000513696584 392854043 /nfs/dbraw/zinc/85/40/43/392854043.db2.gz AWWZNZREGLWAHQ-XHSDSOJGSA-N 2 1 264.457 3.419 20 0 CGADMP Fc1cc(F)c2c(c1)C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647989900 392859009 /nfs/dbraw/zinc/85/90/09/392859009.db2.gz BVBPCAHJECKMST-UHFFFAOYSA-N 2 1 294.389 3.103 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000401453886 392950643 /nfs/dbraw/zinc/95/06/43/392950643.db2.gz BIVVWXYNQXWVNG-ARFHVFGLSA-N 2 1 252.446 3.134 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459785757 392955317 /nfs/dbraw/zinc/95/53/17/392955317.db2.gz PDTLPIYPDJYAPH-XIRDDKMYSA-N 2 1 264.457 3.300 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459792608 392955386 /nfs/dbraw/zinc/95/53/86/392955386.db2.gz STGSUYDFZLBDPP-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340399746 392972566 /nfs/dbraw/zinc/97/25/66/392972566.db2.gz ZSWWTDLTQZDFDT-MXASKKJJSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340399746 392972569 /nfs/dbraw/zinc/97/25/69/392972569.db2.gz ZSWWTDLTQZDFDT-MXASKKJJSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@]1(C)CCCO1 ZINC000340474497 392973550 /nfs/dbraw/zinc/97/35/50/392973550.db2.gz SLJWDUFPVUCIPM-IKGGRYGDSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1CC ZINC000340145386 392965490 /nfs/dbraw/zinc/96/54/90/392965490.db2.gz IWKJCUKVKNCUJU-DOOVEFGSSA-N 2 1 250.430 3.291 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648438450 393017891 /nfs/dbraw/zinc/01/78/91/393017891.db2.gz KCVZSXRKTPNROH-LPHOPBHVSA-N 2 1 286.463 3.256 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648448186 393022072 /nfs/dbraw/zinc/02/20/72/393022072.db2.gz AJOGNJAEDWMITJ-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648448186 393022076 /nfs/dbraw/zinc/02/20/76/393022076.db2.gz AJOGNJAEDWMITJ-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Br)cc1)C1CCCC1 ZINC000415040069 393108496 /nfs/dbraw/zinc/10/84/96/393108496.db2.gz JTMSANCAQWSVMP-CQSZACIVSA-N 2 1 297.240 3.056 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000415041730 393108737 /nfs/dbraw/zinc/10/87/37/393108737.db2.gz LPVSVICZJMNVDH-AWEZNQCLSA-N 2 1 286.341 3.313 20 0 CGADMP Clc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415041474 393108939 /nfs/dbraw/zinc/10/89/39/393108939.db2.gz LKYSMLFDDDYJKA-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415041474 393108945 /nfs/dbraw/zinc/10/89/45/393108945.db2.gz LKYSMLFDDDYJKA-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP Cc1ccc(-c2cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c2)cc1 ZINC000415007044 393091653 /nfs/dbraw/zinc/09/16/53/393091653.db2.gz LBJRCGQZDZBXAT-GJZGRUSLSA-N 2 1 268.404 3.487 20 0 CGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCCO1 ZINC000249377208 393103929 /nfs/dbraw/zinc/10/39/29/393103929.db2.gz PXJOTGGNFNKFNU-QZTJIDSGSA-N 2 1 294.483 3.144 20 0 CGADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415033304 393104842 /nfs/dbraw/zinc/10/48/42/393104842.db2.gz BMAVFASGVAFHSN-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)CC[N@@H+]1C ZINC000648464998 393035027 /nfs/dbraw/zinc/03/50/27/393035027.db2.gz NIXFMHXHIPWRIB-ZTFGCOKTSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)CC[N@H+]1C ZINC000648464998 393035028 /nfs/dbraw/zinc/03/50/28/393035028.db2.gz NIXFMHXHIPWRIB-ZTFGCOKTSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414700852 393052778 /nfs/dbraw/zinc/05/27/78/393052778.db2.gz GQGVGXUXJQOMHY-QWHCGFSZSA-N 2 1 278.827 3.086 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038130 393106692 /nfs/dbraw/zinc/10/66/92/393106692.db2.gz HJVCADZVKZRLHZ-RDJZCZTQSA-N 2 1 290.476 3.373 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[NH2+]1 ZINC000414954586 393063020 /nfs/dbraw/zinc/06/30/20/393063020.db2.gz STFCTGAWULPBEL-ZYHUDNBSSA-N 2 1 293.461 3.102 20 0 CGADMP CC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414966926 393070629 /nfs/dbraw/zinc/07/06/29/393070629.db2.gz WVYDQXCKJHMKBP-GHJWDPDVSA-N 2 1 282.378 3.046 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000648510805 393073264 /nfs/dbraw/zinc/07/32/64/393073264.db2.gz XVJWBXKNEHZYFY-YFHUEUNASA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H]([NH2+]CCC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347932302 393110303 /nfs/dbraw/zinc/11/03/03/393110303.db2.gz MAIVDXFOSMZIFX-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@@]1(C)C[NH3+] ZINC000415055293 393117278 /nfs/dbraw/zinc/11/72/78/393117278.db2.gz OGFJRDPQVKODRV-MLGOLLRUSA-N 2 1 274.433 3.318 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000415060170 393122108 /nfs/dbraw/zinc/12/21/08/393122108.db2.gz YHNRHKWBLPOROJ-QGPMSJSTSA-N 2 1 290.426 3.393 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415072677 393130184 /nfs/dbraw/zinc/13/01/84/393130184.db2.gz YNBOQRDKHXSACB-CJNGLKHVSA-N 2 1 292.492 3.447 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000258870304 393137944 /nfs/dbraw/zinc/13/79/44/393137944.db2.gz ATIBQPGSZOIOAE-UHFFFAOYSA-N 2 1 260.425 3.071 20 0 CGADMP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261743584 393143600 /nfs/dbraw/zinc/14/36/00/393143600.db2.gz BPCOLWASKAFVRT-PBHICJAKSA-N 2 1 276.399 3.352 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC[NH2+]2)cc1 ZINC000415108993 393147686 /nfs/dbraw/zinc/14/76/86/393147686.db2.gz LKVOKHCFYGHHOX-TZNCUMHOSA-N 2 1 270.420 3.258 20 0 CGADMP c1ccc(C[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415123728 393150706 /nfs/dbraw/zinc/15/07/06/393150706.db2.gz QGDJGLNXWVDLLG-VQTJNVASSA-N 2 1 294.442 3.355 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000415128894 393152523 /nfs/dbraw/zinc/15/25/23/393152523.db2.gz OPTDYKBMQPFFRF-IAGOWNOFSA-N 2 1 290.451 3.152 20 0 CGADMP CC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353400506 393220519 /nfs/dbraw/zinc/22/05/19/393220519.db2.gz GLFHQWIJSCTJPJ-PEHJNBARSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1C1CCC1 ZINC000646138377 393224062 /nfs/dbraw/zinc/22/40/62/393224062.db2.gz FEWZJDGYFKCXTJ-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138377 393224070 /nfs/dbraw/zinc/22/40/70/393224070.db2.gz FEWZJDGYFKCXTJ-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138377 393224074 /nfs/dbraw/zinc/22/40/74/393224074.db2.gz FEWZJDGYFKCXTJ-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP CCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471835229 393315610 /nfs/dbraw/zinc/31/56/10/393315610.db2.gz UXCXKTIFHYOXRP-IAGOWNOFSA-N 2 1 260.425 3.069 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000472041508 393327952 /nfs/dbraw/zinc/32/79/52/393327952.db2.gz NEWVKYZVNVXTAF-OAHLLOKOSA-N 2 1 285.435 3.216 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccn1 ZINC000278925406 393329169 /nfs/dbraw/zinc/32/91/69/393329169.db2.gz IJMMGTSHMCRRDV-NVXWUHKLSA-N 2 1 298.434 3.218 20 0 CGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000648816822 393261911 /nfs/dbraw/zinc/26/19/11/393261911.db2.gz KYSYGFIFKJNPJB-KGLIPLIRSA-N 2 1 294.826 3.065 20 0 CGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000648816822 393261915 /nfs/dbraw/zinc/26/19/15/393261915.db2.gz KYSYGFIFKJNPJB-KGLIPLIRSA-N 2 1 294.826 3.065 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000648868940 393278465 /nfs/dbraw/zinc/27/84/65/393278465.db2.gz HCLQUYZDWAWNJN-CYBMUJFWSA-N 2 1 266.454 3.143 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000281120269 393347542 /nfs/dbraw/zinc/34/75/42/393347542.db2.gz XNIPFHNJDNTOQA-GOSISDBHSA-N 2 1 299.418 3.345 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000481730785 393437385 /nfs/dbraw/zinc/43/73/85/393437385.db2.gz BDDSAJITWGGHKL-NVXWUHKLSA-N 2 1 274.452 3.202 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000481730786 393438847 /nfs/dbraw/zinc/43/88/47/393438847.db2.gz BDDSAJITWGGHKL-WBVHZDCISA-N 2 1 274.452 3.202 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000484487006 393445171 /nfs/dbraw/zinc/44/51/71/393445171.db2.gz RMUUWJPZPKFEJU-MQYQWHSLSA-N 2 1 292.389 3.285 20 0 CGADMP CC[N@@H+](C[C@H]1C[C@H]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488300660 393482131 /nfs/dbraw/zinc/48/21/31/393482131.db2.gz PLTJFEZFQHHRBW-NZSAHSFTSA-N 2 1 286.463 3.486 20 0 CGADMP CC[NH+](C[C@H]1C[C@H]1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488300660 393482138 /nfs/dbraw/zinc/48/21/38/393482138.db2.gz PLTJFEZFQHHRBW-NZSAHSFTSA-N 2 1 286.463 3.486 20 0 CGADMP CC[NH+](C[C@H]1C[C@H]1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488300660 393482145 /nfs/dbraw/zinc/48/21/45/393482145.db2.gz PLTJFEZFQHHRBW-NZSAHSFTSA-N 2 1 286.463 3.486 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420295768 393451557 /nfs/dbraw/zinc/45/15/57/393451557.db2.gz CRPSUXMTYCUVPS-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420294972 393451712 /nfs/dbraw/zinc/45/17/12/393451712.db2.gz BPYDPXBDOIZRNU-WBVHZDCISA-N 2 1 260.425 3.315 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420299551 393452965 /nfs/dbraw/zinc/45/29/65/393452965.db2.gz GVIGEIMYWYRBPB-CRAIPNDOSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420297821 393453072 /nfs/dbraw/zinc/45/30/72/393453072.db2.gz DPNVPCDOKIZJAM-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP c1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)CC2CCC2)cc1 ZINC000420298331 393453457 /nfs/dbraw/zinc/45/34/57/393453457.db2.gz DZBZTTKAPUAALI-MRXNPFEDSA-N 2 1 272.436 3.288 20 0 CGADMP CC[N@H+](CCc1cccs1)CC[C@H]1CCC[NH2+]C1 ZINC000420298665 393453660 /nfs/dbraw/zinc/45/36/60/393453660.db2.gz FNROOALBMBZBFX-CQSZACIVSA-N 2 1 266.454 3.002 20 0 CGADMP CCC[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296367 393453677 /nfs/dbraw/zinc/45/36/77/393453677.db2.gz DKJGAHKRCCREDS-DOTOQJQBSA-N 2 1 290.451 3.250 20 0 CGADMP Clc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301103 393455303 /nfs/dbraw/zinc/45/53/03/393455303.db2.gz IJEFAWYXQFWREN-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420300700 393456053 /nfs/dbraw/zinc/45/60/53/393456053.db2.gz KJEYFKXWSXIRTD-WMZOPIPTSA-N 2 1 292.442 3.324 20 0 CGADMP C[C@H]([NH3+])C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000420302035 393456307 /nfs/dbraw/zinc/45/63/07/393456307.db2.gz LUWWSCJTRGBLML-AWEZNQCLSA-N 2 1 268.404 3.366 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420306017 393457019 /nfs/dbraw/zinc/45/70/19/393457019.db2.gz QGDRAKCPKRMVKL-ZWKOTPCHSA-N 2 1 274.452 3.248 20 0 CGADMP CC[N@@H+](CCCOCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000420306537 393457510 /nfs/dbraw/zinc/45/75/10/393457510.db2.gz HUGKNWKKQGQWFD-GOSISDBHSA-N 2 1 290.451 3.057 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420309384 393459825 /nfs/dbraw/zinc/45/98/25/393459825.db2.gz SZWIWRUXYPQYKV-SJLPKXTDSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420314098 393461307 /nfs/dbraw/zinc/46/13/07/393461307.db2.gz YSNOLVHJDHNQKM-RYRKJORJSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@@H+](CCCc1ccccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000420311539 393461399 /nfs/dbraw/zinc/46/13/99/393461399.db2.gz NNAJIARNZYDJMD-QGZVFWFLSA-N 2 1 290.451 3.092 20 0 CGADMP CCC1CCC([N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000420319292 393463531 /nfs/dbraw/zinc/46/35/31/393463531.db2.gz PDDMKUAZRHGHAR-HWOWSKLDSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420322833 393465946 /nfs/dbraw/zinc/46/59/46/393465946.db2.gz SNHRMHFCVMOOJI-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420321358 393466428 /nfs/dbraw/zinc/46/64/28/393466428.db2.gz RAYPCWZHQUFNDE-ZIAGYGMSSA-N 2 1 295.496 3.396 20 0 CGADMP Fc1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420326797 393467761 /nfs/dbraw/zinc/46/77/61/393467761.db2.gz XTKLDONBBAETTD-AWEZNQCLSA-N 2 1 276.399 3.180 20 0 CGADMP CC1CCC([N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000420325699 393468577 /nfs/dbraw/zinc/46/85/77/393468577.db2.gz WSKRYTRIPAXQEN-SHARSMKWSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cccc2c1C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000429567984 393483677 /nfs/dbraw/zinc/48/36/77/393483677.db2.gz MYAYUSOURPBORN-KRWDZBQOSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000429567984 393483686 /nfs/dbraw/zinc/48/36/86/393483686.db2.gz MYAYUSOURPBORN-KRWDZBQOSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000429567984 393483692 /nfs/dbraw/zinc/48/36/92/393483692.db2.gz MYAYUSOURPBORN-KRWDZBQOSA-N 2 1 272.436 3.228 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354609 393472846 /nfs/dbraw/zinc/47/28/46/393472846.db2.gz BTXURMGXTASDAT-IAGOWNOFSA-N 2 1 290.838 3.403 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354609 393472850 /nfs/dbraw/zinc/47/28/50/393472850.db2.gz BTXURMGXTASDAT-IAGOWNOFSA-N 2 1 290.838 3.403 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420378355 393478719 /nfs/dbraw/zinc/47/87/19/393478719.db2.gz QIVBXGYJAXCMJU-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420378355 393478728 /nfs/dbraw/zinc/47/87/28/393478728.db2.gz QIVBXGYJAXCMJU-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC12CCC2 ZINC000357036046 393506176 /nfs/dbraw/zinc/50/61/76/393506176.db2.gz JXJBWXCCLKKNLI-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC12CCC2 ZINC000357036046 393506180 /nfs/dbraw/zinc/50/61/80/393506180.db2.gz JXJBWXCCLKKNLI-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC12CCC2 ZINC000357036046 393506183 /nfs/dbraw/zinc/50/61/83/393506183.db2.gz JXJBWXCCLKKNLI-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000488437983 393513350 /nfs/dbraw/zinc/51/33/50/393513350.db2.gz LREYCRLTXIVETQ-OAGGEKHMSA-N 2 1 284.513 3.371 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488450474 393519554 /nfs/dbraw/zinc/51/95/54/393519554.db2.gz QHXSBPLEEKCKCT-DOTOQJQBSA-N 2 1 272.436 3.205 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CS1 ZINC000488452834 393520835 /nfs/dbraw/zinc/52/08/35/393520835.db2.gz YNKFMEKTGQMAOM-JYJNAYRXSA-N 2 1 284.513 3.227 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)Cc1cccc2nccn21 ZINC000488508639 393529897 /nfs/dbraw/zinc/52/98/97/393529897.db2.gz AXVJOFZWMYWFJY-UHFFFAOYSA-N 2 1 283.350 3.414 20 0 CGADMP Cc1cc(F)ccc1CN(C)Cc1cccc2nccn21 ZINC000488508639 393529901 /nfs/dbraw/zinc/52/99/01/393529901.db2.gz AXVJOFZWMYWFJY-UHFFFAOYSA-N 2 1 283.350 3.414 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000430627781 393582164 /nfs/dbraw/zinc/58/21/64/393582164.db2.gz NKWMNMBQHJPHQJ-MRXNPFEDSA-N 2 1 298.430 3.279 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424299858 393680190 /nfs/dbraw/zinc/68/01/90/393680190.db2.gz WAHRESYLMDHIKL-ZDUSSCGKSA-N 2 1 278.827 3.304 20 0 CGADMP CC(C)(C)OC1CC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000432424548 393612996 /nfs/dbraw/zinc/61/29/96/393612996.db2.gz JMXUGRVPROCOMY-VUROTCPHSA-N 2 1 294.483 3.187 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090767 393632139 /nfs/dbraw/zinc/63/21/39/393632139.db2.gz OHCQVQSVLFXEEO-UKRRQHHQSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090767 393632142 /nfs/dbraw/zinc/63/21/42/393632142.db2.gz OHCQVQSVLFXEEO-UKRRQHHQSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090767 393632146 /nfs/dbraw/zinc/63/21/46/393632146.db2.gz OHCQVQSVLFXEEO-UKRRQHHQSA-N 2 1 296.405 3.312 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000432800810 393641682 /nfs/dbraw/zinc/64/16/82/393641682.db2.gz QTWGIQQPIJTNSS-OAHLLOKOSA-N 2 1 290.382 3.488 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000432800810 393641687 /nfs/dbraw/zinc/64/16/87/393641687.db2.gz QTWGIQQPIJTNSS-OAHLLOKOSA-N 2 1 290.382 3.488 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CCO1 ZINC000423042203 393648755 /nfs/dbraw/zinc/64/87/55/393648755.db2.gz KMZOPQZRIFMRAY-QEORTHHSSA-N 2 1 291.439 3.129 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)C1CC1 ZINC000423314433 393661621 /nfs/dbraw/zinc/66/16/21/393661621.db2.gz HEBBQQXCSWXHTH-STQMWFEESA-N 2 1 282.840 3.204 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CCS2 ZINC000423442914 393667365 /nfs/dbraw/zinc/66/73/65/393667365.db2.gz KHACRVGBSANTRB-YRGRVCCFSA-N 2 1 264.438 3.166 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CCS2 ZINC000423442909 393667734 /nfs/dbraw/zinc/66/77/34/393667734.db2.gz KHACRVGBSANTRB-MBNYWOFBSA-N 2 1 264.438 3.166 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300979 393709617 /nfs/dbraw/zinc/70/96/17/393709617.db2.gz FBSCFDNOILJLNX-OAHLLOKOSA-N 2 1 289.810 3.334 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300979 393709621 /nfs/dbraw/zinc/70/96/21/393709621.db2.gz FBSCFDNOILJLNX-OAHLLOKOSA-N 2 1 289.810 3.334 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000435374250 393714601 /nfs/dbraw/zinc/71/46/01/393714601.db2.gz PNGWEGKCASRUJE-WMLDXEAASA-N 2 1 260.425 3.022 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000435380031 393714776 /nfs/dbraw/zinc/71/47/76/393714776.db2.gz PEYWFJNPKANZRP-PBHICJAKSA-N 2 1 260.425 3.022 20 0 CGADMP CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000501850396 393863449 /nfs/dbraw/zinc/86/34/49/393863449.db2.gz NWTVIWKACFCZQE-NXHRZFHOSA-N 2 1 272.436 3.239 20 0 CGADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000501850396 393863450 /nfs/dbraw/zinc/86/34/50/393863450.db2.gz NWTVIWKACFCZQE-NXHRZFHOSA-N 2 1 272.436 3.239 20 0 CGADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000501850396 393863452 /nfs/dbraw/zinc/86/34/52/393863452.db2.gz NWTVIWKACFCZQE-NXHRZFHOSA-N 2 1 272.436 3.239 20 0 CGADMP C[N@H+](CCc1ccc(Cl)cc1)CC[C@H]1CCC[NH+]1C ZINC000502854643 393885975 /nfs/dbraw/zinc/88/59/75/393885975.db2.gz DSTAPUUMPODRFL-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000502854643 393885978 /nfs/dbraw/zinc/88/59/78/393885978.db2.gz DSTAPUUMPODRFL-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)CC[C@H]1CCC[N@H+]1C ZINC000502854643 393885981 /nfs/dbraw/zinc/88/59/81/393885981.db2.gz DSTAPUUMPODRFL-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCC1 ZINC000449668618 393937638 /nfs/dbraw/zinc/93/76/38/393937638.db2.gz LFGXTQSGAZITRQ-CQSZACIVSA-N 2 1 281.469 3.263 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cnc(C)n2C)cc1 ZINC000667462548 542870759 /nfs/dbraw/zinc/87/07/59/542870759.db2.gz LUSQHVIZBQSTKY-QGZVFWFLSA-N 2 1 285.391 3.074 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555356 394016434 /nfs/dbraw/zinc/01/64/34/394016434.db2.gz AQXQUBODERRPOP-ZBFHGGJFSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555356 394016437 /nfs/dbraw/zinc/01/64/37/394016437.db2.gz AQXQUBODERRPOP-ZBFHGGJFSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555356 394016440 /nfs/dbraw/zinc/01/64/40/394016440.db2.gz AQXQUBODERRPOP-ZBFHGGJFSA-N 2 1 250.430 3.149 20 0 CGADMP c1nc2n(c1C[N@H+]1CCCCC[C@H]1c1ccncc1)CCC2 ZINC000667470675 542871698 /nfs/dbraw/zinc/87/16/98/542871698.db2.gz GJYOAVOAKPBXGD-KRWDZBQOSA-N 2 1 296.418 3.342 20 0 CGADMP c1nc2n(c1CN1CCCCC[C@H]1c1ccncc1)CCC2 ZINC000667470675 542871700 /nfs/dbraw/zinc/87/17/00/542871700.db2.gz GJYOAVOAKPBXGD-KRWDZBQOSA-N 2 1 296.418 3.342 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000453060764 394157270 /nfs/dbraw/zinc/15/72/70/394157270.db2.gz OGFOZNOYNBEUCP-NXHRZFHOSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000453060764 394157273 /nfs/dbraw/zinc/15/72/73/394157273.db2.gz OGFOZNOYNBEUCP-NXHRZFHOSA-N 2 1 287.451 3.009 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000453067339 394159328 /nfs/dbraw/zinc/15/93/28/394159328.db2.gz AHLPHEGOGWQYHR-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453077501 394162885 /nfs/dbraw/zinc/16/28/85/394162885.db2.gz RCJUEEVEGWQQEW-INIZCTEOSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453077502 394163020 /nfs/dbraw/zinc/16/30/20/394163020.db2.gz RCJUEEVEGWQQEW-MRXNPFEDSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453109422 394174273 /nfs/dbraw/zinc/17/42/73/394174273.db2.gz PLHCNTPTSMCIRN-RHSMWYFYSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C3CCC3)CCC2)[C@@H](C)C1 ZINC000453388132 394227321 /nfs/dbraw/zinc/22/73/21/394227321.db2.gz FRQMOFSTWYPWSV-GOEBONIOSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404261 394235144 /nfs/dbraw/zinc/23/51/44/394235144.db2.gz PJUNVBNCWQAGRO-LLVKDONJSA-N 2 1 266.351 3.181 20 0 CGADMP CC(C)O[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1(C)C ZINC000453406965 394235888 /nfs/dbraw/zinc/23/58/88/394235888.db2.gz RQILQVGDDPSPHJ-HOTGVXAUSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453408142 394236692 /nfs/dbraw/zinc/23/66/92/394236692.db2.gz SHNUOAIDQVEXNW-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410738 394238516 /nfs/dbraw/zinc/23/85/16/394238516.db2.gz VATOLCPDYKCMLA-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1C ZINC000667960322 542950326 /nfs/dbraw/zinc/95/03/26/542950326.db2.gz JVQYTAMUNNGUQJ-SXSDINLZSA-N 2 1 281.403 3.406 20 0 CGADMP C[C@H]1CC[C@]2(CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000667964665 542950569 /nfs/dbraw/zinc/95/05/69/542950569.db2.gz NJAPCBQMGYNROQ-YJBOKZPZSA-N 2 1 296.418 3.279 20 0 CGADMP C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000667964665 542950571 /nfs/dbraw/zinc/95/05/71/542950571.db2.gz NJAPCBQMGYNROQ-YJBOKZPZSA-N 2 1 296.418 3.279 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000668159396 542977309 /nfs/dbraw/zinc/97/73/09/542977309.db2.gz VEMBRRKAJUDDDP-KGLIPLIRSA-N 2 1 287.407 3.209 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000668159396 542977311 /nfs/dbraw/zinc/97/73/11/542977311.db2.gz VEMBRRKAJUDDDP-KGLIPLIRSA-N 2 1 287.407 3.209 20 0 CGADMP Cc1cccc2[nH]c(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc21 ZINC000668188799 542985505 /nfs/dbraw/zinc/98/55/05/542985505.db2.gz OVWULZGPQROIFQ-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc21 ZINC000668188799 542985507 /nfs/dbraw/zinc/98/55/07/542985507.db2.gz OVWULZGPQROIFQ-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc21 ZINC000668188799 542985510 /nfs/dbraw/zinc/98/55/10/542985510.db2.gz OVWULZGPQROIFQ-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc21 ZINC000668188799 542985514 /nfs/dbraw/zinc/98/55/14/542985514.db2.gz OVWULZGPQROIFQ-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP C([NH2+]C1CC2(CCC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820595 543066562 /nfs/dbraw/zinc/06/65/62/543066562.db2.gz WXTFUXCMJDKSKN-HNNXBMFYSA-N 2 1 262.441 3.031 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000734850316 572688113 /nfs/dbraw/zinc/68/81/13/572688113.db2.gz ZVSDBZZURLRAPS-UHFFFAOYSA-N 2 1 288.407 3.385 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000734850316 572688119 /nfs/dbraw/zinc/68/81/19/572688119.db2.gz ZVSDBZZURLRAPS-UHFFFAOYSA-N 2 1 288.407 3.385 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccs1 ZINC000671770664 543188732 /nfs/dbraw/zinc/18/87/32/543188732.db2.gz TWMGRGBBGAZGBE-KGLIPLIRSA-N 2 1 266.454 3.143 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccs1 ZINC000671770664 543188733 /nfs/dbraw/zinc/18/87/33/543188733.db2.gz TWMGRGBBGAZGBE-KGLIPLIRSA-N 2 1 266.454 3.143 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000394842805 397696493 /nfs/dbraw/zinc/69/64/93/397696493.db2.gz ZZGVHLPXXXPTEA-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)CCC1 ZINC000429431986 292125622 /nfs/dbraw/zinc/12/56/22/292125622.db2.gz NWIIMLQLNFWFNN-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)CCC1 ZINC000429431986 292125623 /nfs/dbraw/zinc/12/56/23/292125623.db2.gz NWIIMLQLNFWFNN-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1F ZINC000650712199 397899695 /nfs/dbraw/zinc/89/96/95/397899695.db2.gz WAIFVMOKOARTRA-XJKSGUPXSA-N 2 1 294.414 3.174 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(F)cc(F)c1 ZINC000650751871 397908740 /nfs/dbraw/zinc/90/87/40/397908740.db2.gz DDQKFPLIAICWGG-JTQLQIEISA-N 2 1 294.320 3.413 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000675795204 543365966 /nfs/dbraw/zinc/36/59/66/543365966.db2.gz ONTDMESOVRLDDZ-CVEARBPZSA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882409 543370214 /nfs/dbraw/zinc/37/02/14/543370214.db2.gz RTXQCOKUNIQIRB-AEFFLSMTSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677240017 543441208 /nfs/dbraw/zinc/44/12/08/543441208.db2.gz CZQIODJPPJQDOT-QBPKDAKJSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC000678278176 543509949 /nfs/dbraw/zinc/50/99/49/543509949.db2.gz NUEDWFLJNDVZBK-RHSMWYFYSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000678278176 543509950 /nfs/dbraw/zinc/50/99/50/543509950.db2.gz NUEDWFLJNDVZBK-RHSMWYFYSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2C2CC2)CC[NH+]1C ZINC000678278176 543509952 /nfs/dbraw/zinc/50/99/52/543509952.db2.gz NUEDWFLJNDVZBK-RHSMWYFYSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C2CC2)CC[NH+]1C ZINC000678278176 543509953 /nfs/dbraw/zinc/50/99/53/543509953.db2.gz NUEDWFLJNDVZBK-RHSMWYFYSA-N 2 1 272.436 3.479 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678281809 543510405 /nfs/dbraw/zinc/51/04/05/543510405.db2.gz GGCHQJQSSYBDLC-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678281809 543510406 /nfs/dbraw/zinc/51/04/06/543510406.db2.gz GGCHQJQSSYBDLC-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000678728843 543550799 /nfs/dbraw/zinc/55/07/99/543550799.db2.gz PXMJXFFOWOIFJS-INIZCTEOSA-N 2 1 274.452 3.284 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678898801 543570034 /nfs/dbraw/zinc/57/00/34/543570034.db2.gz SUWQMLNOEBMGPJ-QRQLOZEOSA-N 2 1 286.463 3.472 20 0 CGADMP Fc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000679013671 543582354 /nfs/dbraw/zinc/58/23/54/543582354.db2.gz MAUYZTGNIPUHMX-SJORKVTESA-N 2 1 288.410 3.421 20 0 CGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCCCC1 ZINC000353555742 292247796 /nfs/dbraw/zinc/24/77/96/292247796.db2.gz DIDRWVNXPGEIMT-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C12CCCCC2 ZINC000344010291 286282864 /nfs/dbraw/zinc/28/28/64/286282864.db2.gz HNLGPVUVJBPDFT-GVDBMIGSSA-N 2 1 294.483 3.044 20 0 CGADMP COCC1CCC([NH2+][C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000449258960 292266156 /nfs/dbraw/zinc/26/61/56/292266156.db2.gz RPDGUZKMMVJXMA-KLAILNCOSA-N 2 1 282.472 3.046 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)[C@H](C)CC)C12CCCC2 ZINC000300413740 286386316 /nfs/dbraw/zinc/38/63/16/286386316.db2.gz CGRSAKUJBGLXLP-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)[C@H](C)CC)C12CCCC2 ZINC000300413740 286386319 /nfs/dbraw/zinc/38/63/19/286386319.db2.gz CGRSAKUJBGLXLP-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc(C)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000037997602 286889126 /nfs/dbraw/zinc/88/91/26/286889126.db2.gz OXSMNRTXFDYYDM-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOC(C)(C)C)C1 ZINC000072965368 287000661 /nfs/dbraw/zinc/00/06/61/287000661.db2.gz YZWWJFWRVZUDOO-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOC(C)(C)C)C1 ZINC000072965368 287000662 /nfs/dbraw/zinc/00/06/62/287000662.db2.gz YZWWJFWRVZUDOO-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000072965368 287000663 /nfs/dbraw/zinc/00/06/63/287000663.db2.gz YZWWJFWRVZUDOO-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000072965368 287000666 /nfs/dbraw/zinc/00/06/66/287000666.db2.gz YZWWJFWRVZUDOO-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000077249812 287038467 /nfs/dbraw/zinc/03/84/67/287038467.db2.gz LWUGATAAUIOPBV-UHFFFAOYSA-N 2 1 266.816 3.256 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000077249812 287038470 /nfs/dbraw/zinc/03/84/70/287038470.db2.gz LWUGATAAUIOPBV-UHFFFAOYSA-N 2 1 266.816 3.256 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3cccnc32)CC1 ZINC000077249873 287038481 /nfs/dbraw/zinc/03/84/81/287038481.db2.gz KIEBBKGNZBYPTG-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3cccnc32)CC1 ZINC000077249873 287038484 /nfs/dbraw/zinc/03/84/84/287038484.db2.gz KIEBBKGNZBYPTG-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000070091556 165053597 /nfs/dbraw/zinc/05/35/97/165053597.db2.gz GBZGKSGTLFLUSF-CHWSQXEVSA-N 2 1 264.438 3.191 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)cc1 ZINC000072957066 165072808 /nfs/dbraw/zinc/07/28/08/165072808.db2.gz GQHFMINIHQMRQY-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)cc1 ZINC000072957066 165072812 /nfs/dbraw/zinc/07/28/12/165072812.db2.gz GQHFMINIHQMRQY-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000072957066 165072814 /nfs/dbraw/zinc/07/28/14/165072814.db2.gz GQHFMINIHQMRQY-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1 ZINC000072957066 165072817 /nfs/dbraw/zinc/07/28/17/165072817.db2.gz GQHFMINIHQMRQY-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000076002671 165106356 /nfs/dbraw/zinc/10/63/56/165106356.db2.gz XHDNWWAYROOOMZ-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000076002671 165106360 /nfs/dbraw/zinc/10/63/60/165106360.db2.gz XHDNWWAYROOOMZ-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(COC)cc2)CC1 ZINC000092165506 165283282 /nfs/dbraw/zinc/28/32/82/165283282.db2.gz USJAECAPARGRDM-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP CC(C)CCn1cccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253999 165291111 /nfs/dbraw/zinc/29/11/11/165291111.db2.gz PGWXCGXKPQYGTA-QGZVFWFLSA-N 2 1 291.483 3.308 20 0 CGADMP CC(C)CCn1cccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253999 165291114 /nfs/dbraw/zinc/29/11/14/165291114.db2.gz PGWXCGXKPQYGTA-QGZVFWFLSA-N 2 1 291.483 3.308 20 0 CGADMP CC(C)CCn1cccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253999 165291115 /nfs/dbraw/zinc/29/11/15/165291115.db2.gz PGWXCGXKPQYGTA-QGZVFWFLSA-N 2 1 291.483 3.308 20 0 CGADMP CC(C)CCn1cccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253999 165291118 /nfs/dbraw/zinc/29/11/18/165291118.db2.gz PGWXCGXKPQYGTA-QGZVFWFLSA-N 2 1 291.483 3.308 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000092739426 165313657 /nfs/dbraw/zinc/31/36/57/165313657.db2.gz DHIBTMARUHOWLD-XHSDSOJGSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000092739426 165313661 /nfs/dbraw/zinc/31/36/61/165313661.db2.gz DHIBTMARUHOWLD-XHSDSOJGSA-N 2 1 275.440 3.100 20 0 CGADMP C[N@H+](Cc1c(Cl)cccc1Cl)CC1CC[NH2+]CC1 ZINC000094010926 165343746 /nfs/dbraw/zinc/34/37/46/165343746.db2.gz ZPQIEIIQJBWONC-UHFFFAOYSA-N 2 1 287.234 3.425 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000094522090 165353149 /nfs/dbraw/zinc/35/31/49/165353149.db2.gz RUQIJDSKUKPNFR-DYVFJYSZSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094522090 165353153 /nfs/dbraw/zinc/35/31/53/165353153.db2.gz RUQIJDSKUKPNFR-DYVFJYSZSA-N 2 1 258.409 3.266 20 0 CGADMP C[N@@H+](Cc1cccc(C2CC2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094522041 165353603 /nfs/dbraw/zinc/35/36/03/165353603.db2.gz PZEQDSNNQAXYHQ-JWTNVVGKSA-N 2 1 270.420 3.279 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000094837349 165354768 /nfs/dbraw/zinc/35/47/68/165354768.db2.gz BLOCQONZBIKIAY-CYBMUJFWSA-N 2 1 276.399 3.412 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000094827496 165390737 /nfs/dbraw/zinc/39/07/37/165390737.db2.gz XFMYPJRKLLXIBI-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094901471 165395153 /nfs/dbraw/zinc/39/51/53/165395153.db2.gz YTINSCANEUXVIS-PBHICJAKSA-N 2 1 260.425 3.054 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)cc2C)C1 ZINC000093742252 287118566 /nfs/dbraw/zinc/11/85/66/287118566.db2.gz MBEOWLRQMVEGKM-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)cc2C)C1 ZINC000093742252 287118568 /nfs/dbraw/zinc/11/85/68/287118568.db2.gz MBEOWLRQMVEGKM-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000093742252 287118571 /nfs/dbraw/zinc/11/85/71/287118571.db2.gz MBEOWLRQMVEGKM-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000093742252 287118573 /nfs/dbraw/zinc/11/85/73/287118573.db2.gz MBEOWLRQMVEGKM-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000094278217 287122027 /nfs/dbraw/zinc/12/20/27/287122027.db2.gz HUVFJDXYERLNRC-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000120777669 287187046 /nfs/dbraw/zinc/18/70/46/287187046.db2.gz JEXHBMQQHLFJPT-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC000120778018 287187258 /nfs/dbraw/zinc/18/72/58/287187258.db2.gz JEXHBMQQHLFJPT-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CCC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000122482337 287210177 /nfs/dbraw/zinc/21/01/77/287210177.db2.gz ZDRRUXASPNLIND-SLTXQBBLSA-N 2 1 252.446 3.133 20 0 CGADMP CCc1cccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123706303 287224009 /nfs/dbraw/zinc/22/40/09/287224009.db2.gz OYWFEIVLCNTLOU-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123706303 287224012 /nfs/dbraw/zinc/22/40/12/287224012.db2.gz OYWFEIVLCNTLOU-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123706303 287224015 /nfs/dbraw/zinc/22/40/15/287224015.db2.gz OYWFEIVLCNTLOU-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123706303 287224018 /nfs/dbraw/zinc/22/40/18/287224018.db2.gz OYWFEIVLCNTLOU-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccccc2)[C@H](C)C1 ZINC000284399145 196047192 /nfs/dbraw/zinc/04/71/92/196047192.db2.gz NGJLMZFLVBFDIU-BPQIPLTHSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)c2ccccc2)[C@H](C)C1 ZINC000284399145 196047193 /nfs/dbraw/zinc/04/71/93/196047193.db2.gz NGJLMZFLVBFDIU-BPQIPLTHSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)c2ccccc2)[C@H](C)C1 ZINC000284399145 196047194 /nfs/dbraw/zinc/04/71/94/196047194.db2.gz NGJLMZFLVBFDIU-BPQIPLTHSA-N 2 1 290.451 3.036 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000020128820 171016084 /nfs/dbraw/zinc/01/60/84/171016084.db2.gz WQEORVMXHOJNJN-CYBMUJFWSA-N 2 1 282.378 3.491 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000020128841 171016330 /nfs/dbraw/zinc/01/63/30/171016330.db2.gz CAKWEDIOCHLGRA-AWEZNQCLSA-N 2 1 264.388 3.352 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524005 171236444 /nfs/dbraw/zinc/23/64/44/171236444.db2.gz WPWGBSPICNBPGO-HNSVSWJLSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC2(CCC2)C1 ZINC000448056598 287268372 /nfs/dbraw/zinc/26/83/72/287268372.db2.gz PBFPJUXAABMCSJ-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC2)CC1 ZINC000285604204 196341153 /nfs/dbraw/zinc/34/11/53/196341153.db2.gz JWHKGRWQDWDFGR-UHFFFAOYSA-N 2 1 272.436 3.429 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]CC3CCC3)CC2)cc1 ZINC000037180285 173012722 /nfs/dbraw/zinc/01/27/22/173012722.db2.gz YUXYJNDYGFWYBB-UHFFFAOYSA-N 2 1 258.409 3.041 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000038097978 174112229 /nfs/dbraw/zinc/11/22/29/174112229.db2.gz LXSSKUCIDNLIGV-HNNXBMFYSA-N 2 1 260.425 3.438 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH3+])C3)ccc2c1 ZINC000044527749 175192467 /nfs/dbraw/zinc/19/24/67/175192467.db2.gz RUZJWQVPKPSKFF-HNNXBMFYSA-N 2 1 284.403 3.019 20 0 CGADMP COc1ccc(C)cc1[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128621608 287315044 /nfs/dbraw/zinc/31/50/44/287315044.db2.gz ASOVYEWNSIEREN-KKUMJFAQSA-N 2 1 288.435 3.279 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000129273131 287328041 /nfs/dbraw/zinc/32/80/41/287328041.db2.gz ZTTYZCHUCUFYCF-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312768474 416533053 /nfs/dbraw/zinc/53/30/53/416533053.db2.gz OSJCLIBUKSLMIC-RKDXNWHRSA-N 2 1 279.236 3.414 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)[C@H]1CC[NH3+] ZINC000404369270 416552617 /nfs/dbraw/zinc/55/26/17/416552617.db2.gz IFOOAHKCLMEYEI-KSSFIOAISA-N 2 1 283.419 3.184 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)[C@@H]1CC[NH3+] ZINC000404319563 416552909 /nfs/dbraw/zinc/55/29/09/416552909.db2.gz IOVCTCWEVNOUGG-RDTXWAMCSA-N 2 1 283.419 3.184 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000404452699 416554739 /nfs/dbraw/zinc/55/47/39/416554739.db2.gz ZORZNHMVFFPARH-RISCZKNCSA-N 2 1 252.427 3.006 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404443648 416555256 /nfs/dbraw/zinc/55/52/56/416555256.db2.gz WCCDLMLGJKLSKX-YOEHRIQHSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC000070359496 416492415 /nfs/dbraw/zinc/49/24/15/416492415.db2.gz QJMQYKUGEWIUMP-BFYDXBDKSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000130067229 287344373 /nfs/dbraw/zinc/34/43/73/287344373.db2.gz IPONRQGHMLYMMQ-YGRLFVJLSA-N 2 1 287.234 3.423 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352568003 287347692 /nfs/dbraw/zinc/34/76/92/287347692.db2.gz SFQLQMRFMHRVKP-KLAILNCOSA-N 2 1 296.499 3.434 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)C1 ZINC000130352009 287352875 /nfs/dbraw/zinc/35/28/75/287352875.db2.gz PDUJPVQXNZBQLY-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000681052333 543761381 /nfs/dbraw/zinc/76/13/81/543761381.db2.gz JWCDVWDBODEIGV-FZCLSBEQSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000130532143 287357495 /nfs/dbraw/zinc/35/74/95/287357495.db2.gz APFRYNXUAMVWQY-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000130532143 287357500 /nfs/dbraw/zinc/35/75/00/287357500.db2.gz APFRYNXUAMVWQY-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC000682069798 543819591 /nfs/dbraw/zinc/81/95/91/543819591.db2.gz ADLABSAOMFIACS-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069798 543819593 /nfs/dbraw/zinc/81/95/93/543819593.db2.gz ADLABSAOMFIACS-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069798 543819595 /nfs/dbraw/zinc/81/95/95/543819595.db2.gz ADLABSAOMFIACS-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000682075809 543822335 /nfs/dbraw/zinc/82/23/35/543822335.db2.gz ZQEQSROKMXYEQH-YJBOKZPZSA-N 2 1 270.420 3.092 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCc2ccccc2)C[C@@H]1C ZINC000682078012 543823119 /nfs/dbraw/zinc/82/31/19/543823119.db2.gz UHTSWZRZVLCUMA-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCc2ccccc2)C[C@@H]1C ZINC000682078012 543823120 /nfs/dbraw/zinc/82/31/20/543823120.db2.gz UHTSWZRZVLCUMA-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCc2ccccc2)C[C@@H]1C ZINC000682078012 543823124 /nfs/dbraw/zinc/82/31/24/543823124.db2.gz UHTSWZRZVLCUMA-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000683020002 543890556 /nfs/dbraw/zinc/89/05/56/543890556.db2.gz ZBIPPRYGMIIGCT-CQSZACIVSA-N 2 1 291.345 3.268 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)C1 ZINC000683816152 543943676 /nfs/dbraw/zinc/94/36/76/543943676.db2.gz LMNZSMIEDKPYII-JZXOWHBKSA-N 2 1 290.451 3.084 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3cnccc3c2)CCN1C ZINC000683831401 543946100 /nfs/dbraw/zinc/94/61/00/543946100.db2.gz WEIRSKFYQVOKRQ-KBXCAEBGSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3cnccc3c2)CC[N@@H+]1C ZINC000683831401 543946102 /nfs/dbraw/zinc/94/61/02/543946102.db2.gz WEIRSKFYQVOKRQ-KBXCAEBGSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3cnccc3c2)CC[N@H+]1C ZINC000683831401 543946104 /nfs/dbraw/zinc/94/61/04/543946104.db2.gz WEIRSKFYQVOKRQ-KBXCAEBGSA-N 2 1 283.419 3.149 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832433 543946304 /nfs/dbraw/zinc/94/63/04/543946304.db2.gz SSYHNNMMFWQECL-RBUKOAKNSA-N 2 1 295.430 3.151 20 0 CGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021831 543960897 /nfs/dbraw/zinc/96/08/97/543960897.db2.gz VWCTWDDKAVDBNN-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021831 543960899 /nfs/dbraw/zinc/96/08/99/543960899.db2.gz VWCTWDDKAVDBNN-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021831 543960901 /nfs/dbraw/zinc/96/09/01/543960901.db2.gz VWCTWDDKAVDBNN-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021831 543960904 /nfs/dbraw/zinc/96/09/04/543960904.db2.gz VWCTWDDKAVDBNN-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000684369934 543987250 /nfs/dbraw/zinc/98/72/50/543987250.db2.gz FGCMYTHJSFDTST-GVDBMIGSSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCN3CCC2CC3)C1 ZINC000685458585 544073293 /nfs/dbraw/zinc/07/32/93/544073293.db2.gz YEXVYKSTDWFAKM-MOPGFXCFSA-N 2 1 284.447 3.277 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685838059 544099926 /nfs/dbraw/zinc/09/99/26/544099926.db2.gz AMMPXODDXROTIW-INIZCTEOSA-N 2 1 286.463 3.065 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000685849521 544102224 /nfs/dbraw/zinc/10/22/24/544102224.db2.gz UWVKEERVMWVQRZ-HOTGVXAUSA-N 2 1 262.441 3.184 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000685849521 544102229 /nfs/dbraw/zinc/10/22/29/544102229.db2.gz UWVKEERVMWVQRZ-HOTGVXAUSA-N 2 1 262.441 3.184 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000685849348 544102283 /nfs/dbraw/zinc/10/22/83/544102283.db2.gz DQAHHDPQABLVJI-HRCADAONSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000685849348 544102287 /nfs/dbraw/zinc/10/22/87/544102287.db2.gz DQAHHDPQABLVJI-HRCADAONSA-N 2 1 252.446 3.297 20 0 CGADMP Clc1ccccc1C1([NH2+]C2CC[NH2+]CC2)CCC1 ZINC000650741681 418936346 /nfs/dbraw/zinc/93/63/46/418936346.db2.gz JICLEWUIYYAZPV-UHFFFAOYSA-N 2 1 264.800 3.061 20 0 CGADMP Cc1ccccc1C1([NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000652218248 418936610 /nfs/dbraw/zinc/93/66/10/418936610.db2.gz CZZBLFBTEGFYTA-UHFFFAOYSA-N 2 1 258.409 3.058 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221900 418937491 /nfs/dbraw/zinc/93/74/91/418937491.db2.gz AAFSNXULEYSREP-HNNXBMFYSA-N 2 1 263.429 3.019 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652221900 418937494 /nfs/dbraw/zinc/93/74/94/418937494.db2.gz AAFSNXULEYSREP-HNNXBMFYSA-N 2 1 263.429 3.019 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3c(C)cccc32)CC1 ZINC000658337336 418942384 /nfs/dbraw/zinc/94/23/84/418942384.db2.gz GDOFNZVQDLOMGG-SFHVURJKSA-N 2 1 272.436 3.446 20 0 CGADMP CCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000652306790 418951172 /nfs/dbraw/zinc/95/11/72/418951172.db2.gz CWNGRINUFUSHCY-KSZLIROESA-N 2 1 272.436 3.211 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659956659 419045244 /nfs/dbraw/zinc/04/52/44/419045244.db2.gz LPFGIWPLXBFXHK-CABCVRRESA-N 2 1 288.426 3.476 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665256616 419095619 /nfs/dbraw/zinc/09/56/19/419095619.db2.gz HEOJPLCIQCKRDQ-KBRIMQKVSA-N 2 1 278.415 3.295 20 0 CGADMP Clc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000665278269 419099774 /nfs/dbraw/zinc/09/97/74/419099774.db2.gz ZUIICZTVSKEKFB-YWCUFVOSSA-N 2 1 276.811 3.133 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000665282404 419103355 /nfs/dbraw/zinc/10/33/55/419103355.db2.gz XMRXKHNAXQEOJF-NEPJUHHUSA-N 2 1 286.341 3.054 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000660304970 419123540 /nfs/dbraw/zinc/12/35/40/419123540.db2.gz INPZJTJYTCSNTE-LPHOPBHVSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000660304970 419123543 /nfs/dbraw/zinc/12/35/43/419123543.db2.gz INPZJTJYTCSNTE-LPHOPBHVSA-N 2 1 284.447 3.453 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000660010727 419062735 /nfs/dbraw/zinc/06/27/35/419062735.db2.gz LKGIPBLQKVBEOR-RDBSUJKOSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000660010727 419062736 /nfs/dbraw/zinc/06/27/36/419062736.db2.gz LKGIPBLQKVBEOR-RDBSUJKOSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000660010727 419062737 /nfs/dbraw/zinc/06/27/37/419062737.db2.gz LKGIPBLQKVBEOR-RDBSUJKOSA-N 2 1 274.399 3.084 20 0 CGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655688281 419064785 /nfs/dbraw/zinc/06/47/85/419064785.db2.gz UZTMHKFXOYSGEU-CRAIPNDOSA-N 2 1 284.447 3.365 20 0 CGADMP CCCC[C@H](CC)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655684313 419065339 /nfs/dbraw/zinc/06/53/39/419065339.db2.gz NRXQEVOBXBHFFS-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CS1 ZINC000655690318 419066106 /nfs/dbraw/zinc/06/61/06/419066106.db2.gz LTWYVRYDFVDTQU-KBPBESRZSA-N 2 1 270.486 3.125 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694248 419067745 /nfs/dbraw/zinc/06/77/45/419067745.db2.gz FCZPFBFYLHIKEX-WBVHZDCISA-N 2 1 272.436 3.222 20 0 CGADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC1CCCC1 ZINC000655696427 419068505 /nfs/dbraw/zinc/06/85/05/419068505.db2.gz PHPNLIFIGOFHHR-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000655710488 419072609 /nfs/dbraw/zinc/07/26/09/419072609.db2.gz BYRSLXATQUPOKF-DOTOQJQBSA-N 2 1 272.436 3.222 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655729774 419079974 /nfs/dbraw/zinc/07/99/74/419079974.db2.gz DPGPJUGRSUYYLI-UXLLHSPISA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660614962 419169293 /nfs/dbraw/zinc/16/92/93/419169293.db2.gz CNEMMUQYIODUQL-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660614962 419169296 /nfs/dbraw/zinc/16/92/96/419169296.db2.gz CNEMMUQYIODUQL-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660614962 419169298 /nfs/dbraw/zinc/16/92/98/419169298.db2.gz CNEMMUQYIODUQL-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCCc3ccccc31)C2 ZINC000660658624 419176800 /nfs/dbraw/zinc/17/68/00/419176800.db2.gz IBFNTDWZIUKCHY-RBUKOAKNSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000660658624 419176802 /nfs/dbraw/zinc/17/68/02/419176802.db2.gz IBFNTDWZIUKCHY-RBUKOAKNSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCCc3ccccc31)C2 ZINC000660658624 419176804 /nfs/dbraw/zinc/17/68/04/419176804.db2.gz IBFNTDWZIUKCHY-RBUKOAKNSA-N 2 1 284.447 3.482 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654747 419176889 /nfs/dbraw/zinc/17/68/89/419176889.db2.gz IKMQAMGQMAHJQD-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654747 419176892 /nfs/dbraw/zinc/17/68/92/419176892.db2.gz IKMQAMGQMAHJQD-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660654747 419176894 /nfs/dbraw/zinc/17/68/94/419176894.db2.gz IKMQAMGQMAHJQD-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660654747 419176896 /nfs/dbraw/zinc/17/68/96/419176896.db2.gz IKMQAMGQMAHJQD-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC[N@@H+]1C ZINC000666093988 419189573 /nfs/dbraw/zinc/18/95/73/419189573.db2.gz YQGYIRKIHMDDJO-VHDGCEQUSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC[N@H+]1C ZINC000666093988 419189576 /nfs/dbraw/zinc/18/95/76/419189576.db2.gz YQGYIRKIHMDDJO-VHDGCEQUSA-N 2 1 292.854 3.270 20 0 CGADMP CC[NH+](CC)Cc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000657321816 419249874 /nfs/dbraw/zinc/24/98/74/419249874.db2.gz ILRYPIWRMJWOHG-UHFFFAOYSA-N 2 1 298.434 3.283 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657338453 419254866 /nfs/dbraw/zinc/25/48/66/419254866.db2.gz XMSPWEKSAURBSE-UHFFFAOYSA-N 2 1 261.413 3.140 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC(c2ccco2)CC1 ZINC000661160973 419236737 /nfs/dbraw/zinc/23/67/37/419236737.db2.gz IJZGHKZFZAWCDJ-UHFFFAOYSA-N 2 1 264.413 3.191 20 0 CGADMP CCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1 ZINC000657426696 419276217 /nfs/dbraw/zinc/27/62/17/419276217.db2.gz DVLOIIZLHXITSH-UHFFFAOYSA-N 2 1 288.435 3.135 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657492411 419292717 /nfs/dbraw/zinc/29/27/17/419292717.db2.gz VZRHSLJYSAKDAT-CYBMUJFWSA-N 2 1 289.448 3.118 20 0 CGADMP CC(C)Oc1ccccc1CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657522321 419297456 /nfs/dbraw/zinc/29/74/56/419297456.db2.gz CXJKLTDGOGWNIB-MRXNPFEDSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)Oc1ccccc1CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC000657522321 419297459 /nfs/dbraw/zinc/29/74/59/419297459.db2.gz CXJKLTDGOGWNIB-MRXNPFEDSA-N 2 1 290.451 3.436 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000193130722 228105782 /nfs/dbraw/zinc/10/57/82/228105782.db2.gz DUKSCXCIDKAZAY-VNHYZAJKSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662042911 419328515 /nfs/dbraw/zinc/32/85/15/419328515.db2.gz HOGFYZIWLGVBCD-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662042911 419328517 /nfs/dbraw/zinc/32/85/17/419328517.db2.gz HOGFYZIWLGVBCD-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCc2ccccc21 ZINC000662321788 419389085 /nfs/dbraw/zinc/38/90/85/419389085.db2.gz JFOWZVVJKYESPH-GOSISDBHSA-N 2 1 286.463 3.428 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000662314867 419389696 /nfs/dbraw/zinc/38/96/96/419389696.db2.gz PYABJMBVBWHXEP-ZWKOTPCHSA-N 2 1 294.483 3.047 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C)[C@@H]1CCC[NH3+] ZINC000662314487 419390502 /nfs/dbraw/zinc/39/05/02/419390502.db2.gz DTKNAXNDHAORAF-NVXWUHKLSA-N 2 1 289.467 3.092 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251731 419373996 /nfs/dbraw/zinc/37/39/96/419373996.db2.gz DXRZSSXQIWQUBC-UHFFFAOYSA-N 2 1 298.405 3.146 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657824837 419374358 /nfs/dbraw/zinc/37/43/58/419374358.db2.gz WAJPPNXUAWTUPQ-ZDUSSCGKSA-N 2 1 287.407 3.353 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000662266998 419375814 /nfs/dbraw/zinc/37/58/14/419375814.db2.gz PJZWYZCEWKWHHO-STQMWFEESA-N 2 1 262.388 3.132 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662266778 419376316 /nfs/dbraw/zinc/37/63/16/419376316.db2.gz OXDVKAHEEIJZJF-RYUDHWBXSA-N 2 1 284.856 3.101 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CC(CF)(CF)C1)C1CCCCC1 ZINC000657831164 419376293 /nfs/dbraw/zinc/37/62/93/419376293.db2.gz YWIQOOGMKGAUNT-UHFFFAOYSA-N 2 1 288.426 3.318 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662272640 419379537 /nfs/dbraw/zinc/37/95/37/419379537.db2.gz GNJXNPUAVZUGQB-KURKYZTESA-N 2 1 284.447 3.038 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@H]1CCc2ccccc21 ZINC000662272505 419379823 /nfs/dbraw/zinc/37/98/23/419379823.db2.gz FVQMIGHYVPOTAZ-SJORKVTESA-N 2 1 272.436 3.310 20 0 CGADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000657838178 419381043 /nfs/dbraw/zinc/38/10/43/419381043.db2.gz OHNIELMLVQTHMG-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657837957 419381669 /nfs/dbraw/zinc/38/16/69/419381669.db2.gz KXAUGCFPXCWKTR-HZPDHXFCSA-N 2 1 284.513 3.374 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC000662274873 419381853 /nfs/dbraw/zinc/38/18/53/419381853.db2.gz YCKZWRLYDVNMCK-NXWXRZEISA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC000662274873 419381860 /nfs/dbraw/zinc/38/18/60/419381860.db2.gz YCKZWRLYDVNMCK-NXWXRZEISA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000662276594 419382688 /nfs/dbraw/zinc/38/26/88/419382688.db2.gz KRTYMCXNUKAXAN-GOEBONIOSA-N 2 1 260.425 3.070 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cnccc2o1 ZINC000657840256 419383084 /nfs/dbraw/zinc/38/30/84/419383084.db2.gz OORGOAVQBZUXOK-QEJZJMRPSA-N 2 1 285.391 3.105 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2cnccc2o1 ZINC000657840256 419383088 /nfs/dbraw/zinc/38/30/88/419383088.db2.gz OORGOAVQBZUXOK-QEJZJMRPSA-N 2 1 285.391 3.105 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274378 419383270 /nfs/dbraw/zinc/38/32/70/419383270.db2.gz SOTKRTFKPGOXDN-WBVHZDCISA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274378 419383271 /nfs/dbraw/zinc/38/32/71/419383271.db2.gz SOTKRTFKPGOXDN-WBVHZDCISA-N 2 1 272.436 3.168 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657843773 419384409 /nfs/dbraw/zinc/38/44/09/419384409.db2.gz HJFZOBCNJGFECZ-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657843773 419384414 /nfs/dbraw/zinc/38/44/14/419384414.db2.gz HJFZOBCNJGFECZ-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP CC(C)c1ccc([C@H](C)[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662307163 419387502 /nfs/dbraw/zinc/38/75/02/419387502.db2.gz WLLPVGUIBYMLJJ-CBCUQQMYSA-N 2 1 258.409 3.294 20 0 CGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662307163 419387507 /nfs/dbraw/zinc/38/75/07/419387507.db2.gz WLLPVGUIBYMLJJ-CBCUQQMYSA-N 2 1 258.409 3.294 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657930869 419449951 /nfs/dbraw/zinc/44/99/51/419449951.db2.gz ODYSCNVOGQAMLJ-AWEZNQCLSA-N 2 1 288.426 3.032 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658043671 419517954 /nfs/dbraw/zinc/51/79/54/419517954.db2.gz QOUWFQUYGJORBX-GFCCVEGCSA-N 2 1 264.404 3.234 20 0 CGADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344117 419566636 /nfs/dbraw/zinc/56/66/36/419566636.db2.gz OKUKPXZSNQZUST-HNNXBMFYSA-N 2 1 299.418 3.039 20 0 CGADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344117 419566650 /nfs/dbraw/zinc/56/66/50/419566650.db2.gz OKUKPXZSNQZUST-HNNXBMFYSA-N 2 1 299.418 3.039 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CC1(C)C ZINC000663344342 419570162 /nfs/dbraw/zinc/57/01/62/419570162.db2.gz RVNXCADLOBOZAR-IMJJTQAJSA-N 2 1 264.457 3.133 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)[C@H]2CCC[C@H]21 ZINC000658116238 419591944 /nfs/dbraw/zinc/59/19/44/419591944.db2.gz HVLITBWNXMLQNI-IXDOHACOSA-N 2 1 284.403 3.395 20 0 CGADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465580 419617978 /nfs/dbraw/zinc/61/79/78/419617978.db2.gz KQFUKYDNRWPECK-SZMVWBNQSA-N 2 1 276.468 3.277 20 0 CGADMP CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468491 419619475 /nfs/dbraw/zinc/61/94/75/419619475.db2.gz LKRPYWWGXADJSQ-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC2CCC2)[C@@H](C)C1 ZINC000658220803 419677801 /nfs/dbraw/zinc/67/78/01/419677801.db2.gz IPWXWGFGEMWUHD-FUHWJXTLSA-N 2 1 296.499 3.293 20 0 CGADMP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658227741 419687725 /nfs/dbraw/zinc/68/77/25/419687725.db2.gz CCWZKKKSWFOSDY-CYBMUJFWSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658227741 419687737 /nfs/dbraw/zinc/68/77/37/419687737.db2.gz CCWZKKKSWFOSDY-CYBMUJFWSA-N 2 1 250.430 3.172 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229681 419689554 /nfs/dbraw/zinc/68/95/54/419689554.db2.gz SZHUVQLHLJVJCT-BQFCYCMXSA-N 2 1 294.483 3.188 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229681 419689568 /nfs/dbraw/zinc/68/95/68/419689568.db2.gz SZHUVQLHLJVJCT-BQFCYCMXSA-N 2 1 294.483 3.188 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000663513189 419641715 /nfs/dbraw/zinc/64/17/15/419641715.db2.gz JMEUAPSVICUJJI-JTQLQIEISA-N 2 1 275.223 3.124 20 0 CGADMP C[C@@H]([NH2+]CCc1ccoc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658202416 419655435 /nfs/dbraw/zinc/65/54/35/419655435.db2.gz TYYJPEHZOZYYLE-VQIMIIECSA-N 2 1 298.430 3.322 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H](C)C1 ZINC000658264132 419718000 /nfs/dbraw/zinc/71/80/00/419718000.db2.gz GXVGYCXLLKRACP-FEWQNLEASA-N 2 1 286.410 3.274 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cnn1C(C)C ZINC000191328561 287589722 /nfs/dbraw/zinc/58/97/22/287589722.db2.gz CTFIAECJBXUNAB-IMJJTQAJSA-N 2 1 292.471 3.296 20 0 CGADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCCCCC1 ZINC000394525917 261378273 /nfs/dbraw/zinc/37/82/73/261378273.db2.gz FHGCNBHXDNWNCF-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCCCCC1 ZINC000394525917 261378275 /nfs/dbraw/zinc/37/82/75/261378275.db2.gz FHGCNBHXDNWNCF-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000221732683 262293062 /nfs/dbraw/zinc/29/30/62/262293062.db2.gz MIFKQFFCPYMTRJ-JYJNAYRXSA-N 2 1 260.425 3.437 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221912978 262322929 /nfs/dbraw/zinc/32/29/29/262322929.db2.gz HUJZEOHGPBUSCV-MRXNPFEDSA-N 2 1 292.467 3.336 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000044535741 270035897 /nfs/dbraw/zinc/03/58/97/270035897.db2.gz LQFBCZYKSJXPJT-INIZCTEOSA-N 2 1 268.404 3.271 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000044533811 270036066 /nfs/dbraw/zinc/03/60/66/270036066.db2.gz FVMCAXWBDIWISK-NEPJUHHUSA-N 2 1 284.806 3.472 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1C ZINC000044533390 270036403 /nfs/dbraw/zinc/03/64/03/270036403.db2.gz YTMIFKHHTSZTMZ-MRXNPFEDSA-N 2 1 260.425 3.043 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535377 270036844 /nfs/dbraw/zinc/03/68/44/270036844.db2.gz CEODWPWPNURTDA-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000011888893 265309473 /nfs/dbraw/zinc/30/94/73/265309473.db2.gz ASZXNXCYCUTSOH-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186594157 270066580 /nfs/dbraw/zinc/06/65/80/270066580.db2.gz QNXDQNBYELNWEG-ROKHWSDSSA-N 2 1 292.389 3.287 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186594183 270066599 /nfs/dbraw/zinc/06/65/99/270066599.db2.gz QNXDQNBYELNWEG-MOKVOYLWSA-N 2 1 292.389 3.287 20 0 CGADMP CC[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000322507487 270093737 /nfs/dbraw/zinc/09/37/37/270093737.db2.gz HWQVIDXXSHMEOU-GOSISDBHSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322872620 270094322 /nfs/dbraw/zinc/09/43/22/270094322.db2.gz YSOHPBHVQNQATK-VAQLIOGMSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H](CNc1cc[nH+]c2ccccc12)[N@H+]1CCC[C@H](C)C1 ZINC000521090914 270100392 /nfs/dbraw/zinc/10/03/92/270100392.db2.gz ZTTLHDPYVCYUIJ-GJZGRUSLSA-N 2 1 283.419 3.189 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527877347 270141479 /nfs/dbraw/zinc/14/14/79/270141479.db2.gz VBJMEYUIWFVAEY-MRXNPFEDSA-N 2 1 294.801 3.318 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527846924 270139664 /nfs/dbraw/zinc/13/96/64/270139664.db2.gz NNZHFSQYLSEZBY-OAHLLOKOSA-N 2 1 282.790 3.150 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527854223 270140033 /nfs/dbraw/zinc/14/00/33/270140033.db2.gz JEAAJKUPHSGZTM-ZUZCIYMTSA-N 2 1 284.806 3.396 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527861056 270140316 /nfs/dbraw/zinc/14/03/16/270140316.db2.gz XAQPFXBUQHVTHU-YTQUADARSA-N 2 1 298.474 3.329 20 0 CGADMP Cc1cccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)c1 ZINC000527889704 270142131 /nfs/dbraw/zinc/14/21/31/270142131.db2.gz BHGUGPVWOTXDOE-KRWDZBQOSA-N 2 1 271.408 3.258 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@H](C)C1 ZINC000527978614 270148064 /nfs/dbraw/zinc/14/80/64/270148064.db2.gz DGHTZLONZCWDDS-OAGGEKHMSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527985984 270148494 /nfs/dbraw/zinc/14/84/94/270148494.db2.gz OFLCXHQTDNSUNS-WCVJEAGWSA-N 2 1 250.430 3.051 20 0 CGADMP Clc1cccnc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000528348077 270161489 /nfs/dbraw/zinc/16/14/89/270161489.db2.gz BXFCHFLPPCIMMC-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528768617 270172173 /nfs/dbraw/zinc/17/21/73/270172173.db2.gz LXTMSPSIXUERMA-LBPRGKRZSA-N 2 1 271.355 3.091 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528768617 270172174 /nfs/dbraw/zinc/17/21/74/270172174.db2.gz LXTMSPSIXUERMA-LBPRGKRZSA-N 2 1 271.355 3.091 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000528772347 270172608 /nfs/dbraw/zinc/17/26/08/270172608.db2.gz HWCJOEJUWJDBFP-CQSZACIVSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC000528772347 270172609 /nfs/dbraw/zinc/17/26/09/270172609.db2.gz HWCJOEJUWJDBFP-CQSZACIVSA-N 2 1 263.429 3.340 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530225958 270196658 /nfs/dbraw/zinc/19/66/58/270196658.db2.gz YFKQZBUSHUTTPS-HOTGVXAUSA-N 2 1 258.409 3.258 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCc1c[nH+]cn1C ZINC000530354903 270199335 /nfs/dbraw/zinc/19/93/35/270199335.db2.gz DTOBSJCPFAJTIS-LLVKDONJSA-N 2 1 297.855 3.288 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCCCC2)C[C@@H]1C ZINC000530905574 270203879 /nfs/dbraw/zinc/20/38/79/270203879.db2.gz JLCSEXQSHPTCHD-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCCCC2)C[C@@H]1C ZINC000530905574 270203880 /nfs/dbraw/zinc/20/38/80/270203880.db2.gz JLCSEXQSHPTCHD-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCCCC2)C[C@@H]1C ZINC000530905574 270203881 /nfs/dbraw/zinc/20/38/81/270203881.db2.gz JLCSEXQSHPTCHD-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532522961 270216982 /nfs/dbraw/zinc/21/69/82/270216982.db2.gz KQOVIXXNKHFHFO-IJEWVQPXSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532522961 270216983 /nfs/dbraw/zinc/21/69/83/270216983.db2.gz KQOVIXXNKHFHFO-IJEWVQPXSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309950 270222919 /nfs/dbraw/zinc/22/29/19/270222919.db2.gz LAYIEXDTEFEXGE-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309950 270222920 /nfs/dbraw/zinc/22/29/20/270222920.db2.gz LAYIEXDTEFEXGE-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309950 270222921 /nfs/dbraw/zinc/22/29/21/270222921.db2.gz LAYIEXDTEFEXGE-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1F ZINC000366875798 533687800 /nfs/dbraw/zinc/68/78/00/533687800.db2.gz INZIWEFHRFEECC-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414655813 274218791 /nfs/dbraw/zinc/21/87/91/274218791.db2.gz HMLFBRSXUIRAIE-FZMZJTMJSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414655813 274218792 /nfs/dbraw/zinc/21/87/92/274218792.db2.gz HMLFBRSXUIRAIE-FZMZJTMJSA-N 2 1 286.341 3.232 20 0 CGADMP CC1(C)CN(c2cc[nH+]c3cc(Cl)ccc32)CC[NH2+]1 ZINC000212811149 275851029 /nfs/dbraw/zinc/85/10/29/275851029.db2.gz YDSAOKBDMNCTTH-UHFFFAOYSA-N 2 1 275.783 3.076 20 0 CGADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000261650809 276138727 /nfs/dbraw/zinc/13/87/27/276138727.db2.gz RIIPNCPADKUHKS-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC2CCC(C)CC2)CC1 ZINC000125292263 276148998 /nfs/dbraw/zinc/14/89/98/276148998.db2.gz GZAQQJYKYVIPGZ-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC2CCC(C)CC2)CC1 ZINC000125292263 276149000 /nfs/dbraw/zinc/14/90/00/276149000.db2.gz GZAQQJYKYVIPGZ-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)CCO1 ZINC000423042200 276212404 /nfs/dbraw/zinc/21/24/04/276212404.db2.gz KMZOPQZRIFMRAY-IFIJOSMWSA-N 2 1 291.439 3.129 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000514094950 276224946 /nfs/dbraw/zinc/22/49/46/276224946.db2.gz NFDQANKKZPNKAC-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000514094950 276224947 /nfs/dbraw/zinc/22/49/47/276224947.db2.gz NFDQANKKZPNKAC-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000514094950 276224948 /nfs/dbraw/zinc/22/49/48/276224948.db2.gz NFDQANKKZPNKAC-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H](C)C1 ZINC000294955191 276230901 /nfs/dbraw/zinc/23/09/01/276230901.db2.gz DJKNEFGRXOQGTL-HDEZJCGLSA-N 2 1 288.435 3.219 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H](C)C1 ZINC000294955191 276230903 /nfs/dbraw/zinc/23/09/03/276230903.db2.gz DJKNEFGRXOQGTL-HDEZJCGLSA-N 2 1 288.435 3.219 20 0 CGADMP CCO[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC000194459945 276358311 /nfs/dbraw/zinc/35/83/11/276358311.db2.gz OEJTXFQWXNGUJG-GOSISDBHSA-N 2 1 299.418 3.015 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2=CCCC2)[C@@H](C)C1 ZINC000453399633 276396027 /nfs/dbraw/zinc/39/60/27/276396027.db2.gz ARVDCZMGQRFYST-GOEBONIOSA-N 2 1 264.457 3.443 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000360014707 276574467 /nfs/dbraw/zinc/57/44/67/276574467.db2.gz JELCVQKEXFZATC-SJORKVTESA-N 2 1 283.419 3.117 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000037266988 276888196 /nfs/dbraw/zinc/88/81/96/276888196.db2.gz LBJCPZYAIUWANG-KRWDZBQOSA-N 2 1 272.436 3.483 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000181007303 277031226 /nfs/dbraw/zinc/03/12/26/277031226.db2.gz ROIJSRLMIQZEEG-IAGOWNOFSA-N 2 1 272.436 3.253 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccncc2)CC1 ZINC000277225483 277046153 /nfs/dbraw/zinc/04/61/53/277046153.db2.gz OGPVRVSBOHMSBM-SFHVURJKSA-N 2 1 287.451 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000414192738 277053463 /nfs/dbraw/zinc/05/34/63/277053463.db2.gz SYAJHZKWKOJLJB-DZGCQCFKSA-N 2 1 278.465 3.447 20 0 CGADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000459754160 277219034 /nfs/dbraw/zinc/21/90/34/277219034.db2.gz MDOSYVLHUZWSEA-HOTGVXAUSA-N 2 1 294.483 3.185 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000430598297 277275594 /nfs/dbraw/zinc/27/55/94/277275594.db2.gz CGYUOYNTQBSCSZ-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414659879 277275759 /nfs/dbraw/zinc/27/57/59/277275759.db2.gz UHXJJNDINMYIPJ-WDSOQIARSA-N 2 1 286.463 3.428 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459449977 277396745 /nfs/dbraw/zinc/39/67/45/277396745.db2.gz NTCSGUUVOXBFSX-OAHLLOKOSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449084401 278003583 /nfs/dbraw/zinc/00/35/83/278003583.db2.gz XPWYZBVRVDPDLC-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000395181810 288006669 /nfs/dbraw/zinc/00/66/69/288006669.db2.gz NSTFNOTYGJFFMS-UHFFFAOYSA-N 2 1 286.463 3.472 20 0 CGADMP CSC1(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000348094797 278125219 /nfs/dbraw/zinc/12/52/19/278125219.db2.gz HLXBFXVDWZSOLZ-HNNXBMFYSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000486957564 278210188 /nfs/dbraw/zinc/21/01/88/278210188.db2.gz PGLRBDLDHCPFLO-KBUPBQIOSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000486957564 278210190 /nfs/dbraw/zinc/21/01/90/278210190.db2.gz PGLRBDLDHCPFLO-KBUPBQIOSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000397343089 288023111 /nfs/dbraw/zinc/02/31/11/288023111.db2.gz QZESARSTDVILIZ-UPJWGTAASA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000397343089 288023112 /nfs/dbraw/zinc/02/31/12/288023112.db2.gz QZESARSTDVILIZ-UPJWGTAASA-N 2 1 289.448 3.102 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414929587 278222417 /nfs/dbraw/zinc/22/24/17/278222417.db2.gz OUACEMAHVMTTBC-MRXNPFEDSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000397427468 288023934 /nfs/dbraw/zinc/02/39/34/288023934.db2.gz YGSNDVLQIDDYQW-RQJABVFESA-N 2 1 274.399 3.117 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000397637632 288026021 /nfs/dbraw/zinc/02/60/21/288026021.db2.gz QCONEZODXKJTSK-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([NH+](C)C)CC1 ZINC000489881590 278309084 /nfs/dbraw/zinc/30/90/84/278309084.db2.gz GHIWEXZVRKYEPP-CQSZACIVSA-N 2 1 272.436 3.262 20 0 CGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119672816 278506999 /nfs/dbraw/zinc/50/69/99/278506999.db2.gz QVDJHMITMXMPAR-UGSOOPFHSA-N 2 1 270.420 3.136 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355729 288061934 /nfs/dbraw/zinc/06/19/34/288061934.db2.gz JNYFPNYLIKKACJ-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C2CC2)c1 ZINC000421355729 288061937 /nfs/dbraw/zinc/06/19/37/288061937.db2.gz JNYFPNYLIKKACJ-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C2CC2)c1 ZINC000421355729 288061941 /nfs/dbraw/zinc/06/19/41/288061941.db2.gz JNYFPNYLIKKACJ-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355729 288061943 /nfs/dbraw/zinc/06/19/43/288061943.db2.gz JNYFPNYLIKKACJ-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355729 288061945 /nfs/dbraw/zinc/06/19/45/288061945.db2.gz JNYFPNYLIKKACJ-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453107200 288075819 /nfs/dbraw/zinc/07/58/19/288075819.db2.gz KNKSJMRHNMWSRO-SUMWQHHRSA-N 2 1 275.440 3.386 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472616 279036819 /nfs/dbraw/zinc/03/68/19/279036819.db2.gz MASYWHFPDQUCPB-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472616 279036820 /nfs/dbraw/zinc/03/68/20/279036820.db2.gz MASYWHFPDQUCPB-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472616 279036821 /nfs/dbraw/zinc/03/68/21/279036821.db2.gz MASYWHFPDQUCPB-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000157253099 279101894 /nfs/dbraw/zinc/10/18/94/279101894.db2.gz WDZHDMXBFLZQAO-WBAXXEDZSA-N 2 1 289.467 3.231 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000174216114 279135363 /nfs/dbraw/zinc/13/53/63/279135363.db2.gz KZCUFRBWAXVXKY-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423259369 279142340 /nfs/dbraw/zinc/14/23/40/279142340.db2.gz DPDNKKDVSYVPCA-GDBMZVCRSA-N 2 1 278.440 3.498 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000423268932 279142681 /nfs/dbraw/zinc/14/26/81/279142681.db2.gz VJBYPVQPCQRWLH-OCCSQVGLSA-N 2 1 264.438 3.187 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000459745925 288101196 /nfs/dbraw/zinc/10/11/96/288101196.db2.gz YWALQBQIUWBFIL-MRXNPFEDSA-N 2 1 294.483 3.047 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000438209801 279206430 /nfs/dbraw/zinc/20/64/30/279206430.db2.gz DZVVSPHWIWUPPU-CHWSQXEVSA-N 2 1 280.378 3.427 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000438209801 279206432 /nfs/dbraw/zinc/20/64/32/279206432.db2.gz DZVVSPHWIWUPPU-CHWSQXEVSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000093515805 279366829 /nfs/dbraw/zinc/36/68/29/279366829.db2.gz KAKFWFFXNXWFDA-WBVHZDCISA-N 3 1 295.515 3.150 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000353578423 279372804 /nfs/dbraw/zinc/37/28/04/279372804.db2.gz RHRBOIMCLCNFPC-GHMZBOCLSA-N 2 1 254.340 3.036 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000353578423 279372806 /nfs/dbraw/zinc/37/28/06/279372806.db2.gz RHRBOIMCLCNFPC-GHMZBOCLSA-N 2 1 254.340 3.036 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCC[NH2+]C1 ZINC000423149077 279547977 /nfs/dbraw/zinc/54/79/77/279547977.db2.gz AIWZBFYCQDSXCC-NDMJEZRESA-N 2 1 298.352 3.069 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[C@H]1C1CC1 ZINC000527666628 288185764 /nfs/dbraw/zinc/18/57/64/288185764.db2.gz PTHDTGBPAHPRKP-KLWKXFFLSA-N 2 1 262.441 3.026 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1C1CC1 ZINC000527666628 288185767 /nfs/dbraw/zinc/18/57/67/288185767.db2.gz PTHDTGBPAHPRKP-KLWKXFFLSA-N 2 1 262.441 3.026 20 0 CGADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119738562 280024478 /nfs/dbraw/zinc/02/44/78/280024478.db2.gz ZQIYLFMUIWGBGM-KPZWWZAWSA-N 2 1 288.410 3.275 20 0 CGADMP Cc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)C2CCCC2)o1 ZINC000423191584 280991246 /nfs/dbraw/zinc/99/12/46/280991246.db2.gz UNMIKFBAOFAGML-MRXNPFEDSA-N 2 1 262.397 3.161 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000443433055 281039153 /nfs/dbraw/zinc/03/91/53/281039153.db2.gz UUMCCZLKEDVHTI-LSDHHAIUSA-N 2 1 281.403 3.004 20 0 CGADMP Cc1ccc2c(c1)CC[NH+](CC[C@H]1CCCC[N@H+]1C)C2 ZINC000361841811 281053643 /nfs/dbraw/zinc/05/36/43/281053643.db2.gz GUAHVUWKTNYMAM-GOSISDBHSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1ccc2c(c1)CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000361841811 281053648 /nfs/dbraw/zinc/05/36/48/281053648.db2.gz GUAHVUWKTNYMAM-GOSISDBHSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000361841811 281053652 /nfs/dbraw/zinc/05/36/52/281053652.db2.gz GUAHVUWKTNYMAM-GOSISDBHSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000361841811 281053656 /nfs/dbraw/zinc/05/36/56/281053656.db2.gz GUAHVUWKTNYMAM-GOSISDBHSA-N 2 1 272.436 3.228 20 0 CGADMP CC[C@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453407101 281069908 /nfs/dbraw/zinc/06/99/08/281069908.db2.gz RURSMTNPQMZIHL-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176376 288294471 /nfs/dbraw/zinc/29/44/71/288294471.db2.gz AQTVTTAKJQHQOB-XJKSGUPXSA-N 2 1 276.399 3.021 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000302225522 281170383 /nfs/dbraw/zinc/17/03/83/281170383.db2.gz OUFMOEMHHFWJRL-CRAIPNDOSA-N 2 1 295.430 3.464 20 0 CGADMP Cc1ccc2[nH+]ccc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c2c1 ZINC000443511673 281170827 /nfs/dbraw/zinc/17/08/27/281170827.db2.gz QSXCYOJNAQNARF-UONOGXRCSA-N 2 1 269.392 3.072 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000530389594 288303360 /nfs/dbraw/zinc/30/33/60/288303360.db2.gz QWWQRZMZIZXLHO-CQSZACIVSA-N 2 1 278.465 3.239 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000530953002 288320296 /nfs/dbraw/zinc/32/02/96/288320296.db2.gz NBDBXFSNHFTDOX-SJLPKXTDSA-N 2 1 290.451 3.382 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C(C)C)C1CC1)[NH+](C)C ZINC000532458855 288362112 /nfs/dbraw/zinc/36/21/12/288362112.db2.gz RLIJWXMTWGCEDI-CVEARBPZSA-N 2 1 254.462 3.377 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000532469322 288363228 /nfs/dbraw/zinc/36/32/28/288363228.db2.gz GMJQQMTZDWEJJE-ZMSDIMECSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178958970 288381716 /nfs/dbraw/zinc/38/17/16/288381716.db2.gz OZMQLKXFKLQXAT-AWEZNQCLSA-N 2 1 264.438 3.057 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551309487 289110948 /nfs/dbraw/zinc/11/09/48/289110948.db2.gz UWXHHIHWECVUMS-LAVFITLUSA-N 2 1 290.426 3.377 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000552048520 289155020 /nfs/dbraw/zinc/15/50/20/289155020.db2.gz VUDJVIFUNMCYON-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000552048520 289155022 /nfs/dbraw/zinc/15/50/22/289155022.db2.gz VUDJVIFUNMCYON-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000553214445 289213427 /nfs/dbraw/zinc/21/34/27/289213427.db2.gz QNONLVVMCUFYDE-CQSZACIVSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554049599 289253643 /nfs/dbraw/zinc/25/36/43/289253643.db2.gz UHJWFOIKUDFMAC-RBUKOAKNSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554090441 289257646 /nfs/dbraw/zinc/25/76/46/289257646.db2.gz RJPTXJKNCIJKMK-TUUVXOQKSA-N 2 1 294.389 3.140 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554090441 289257649 /nfs/dbraw/zinc/25/76/49/289257649.db2.gz RJPTXJKNCIJKMK-TUUVXOQKSA-N 2 1 294.389 3.140 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000554362740 289275436 /nfs/dbraw/zinc/27/54/36/289275436.db2.gz ZAUZXOYUSHSXPB-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251518116 290247561 /nfs/dbraw/zinc/24/75/61/290247561.db2.gz KCSANHQQJADRSI-SCRDCRAPSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1Cl ZINC000382489448 336091587 /nfs/dbraw/zinc/09/15/87/336091587.db2.gz ZLOPOYGGRLXCDU-NSHDSACASA-N 2 1 252.789 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC[NH2+]1 ZINC000423381727 297286405 /nfs/dbraw/zinc/28/64/05/297286405.db2.gz OLXBZYRJSQSEHV-TYNCELHUSA-N 2 1 294.826 3.284 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)CCCO2 ZINC000423397664 301213197 /nfs/dbraw/zinc/21/31/97/301213197.db2.gz USZTWKDXLXHTQM-ZMSDIMECSA-N 2 1 288.435 3.247 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178957745 302217588 /nfs/dbraw/zinc/21/75/88/302217588.db2.gz RJFVWKXUHXDFKN-QGZVFWFLSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261697511 302218113 /nfs/dbraw/zinc/21/81/13/302218113.db2.gz CDCJSDRFKKHJKS-SJORKVTESA-N 2 1 258.409 3.132 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000563135041 321979281 /nfs/dbraw/zinc/97/92/81/321979281.db2.gz CBKPRDQALSEBCX-RNFRBKRXSA-N 2 1 267.225 3.270 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(Cl)c1Cl ZINC000563135040 321979541 /nfs/dbraw/zinc/97/95/41/321979541.db2.gz CBKPRDQALSEBCX-NKWVEPMBSA-N 2 1 267.225 3.270 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000565096833 322059417 /nfs/dbraw/zinc/05/94/17/322059417.db2.gz ZVYKFFQABZVFKJ-UHFFFAOYSA-N 2 1 293.480 3.362 20 0 CGADMP CC(C)C1(C)CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000565157039 322063126 /nfs/dbraw/zinc/06/31/26/322063126.db2.gz LHKLBEKGXGSPEQ-UHFFFAOYSA-N 2 1 263.429 3.111 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1c[nH+]ccc1N ZINC000565886274 322095257 /nfs/dbraw/zinc/09/52/57/322095257.db2.gz KVCHMLATIHVVRY-RFQIPJPRSA-N 2 1 259.397 3.114 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566331525 322116535 /nfs/dbraw/zinc/11/65/35/322116535.db2.gz UWXHHIHWECVUMS-DDBAPUKQSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000566706553 322135354 /nfs/dbraw/zinc/13/53/54/322135354.db2.gz YLPLLQYVXCJYDK-SOLBZPMBSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@@H]2C2CC2)([NH+](C)C)C1 ZINC000567261400 322156864 /nfs/dbraw/zinc/15/68/64/322156864.db2.gz JMQBKPHUYWOLBV-DZUCGIPZSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000567871477 322181100 /nfs/dbraw/zinc/18/11/00/322181100.db2.gz DCHCBOKRIKPUKU-ZWKOTPCHSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000568105406 322193355 /nfs/dbraw/zinc/19/33/55/322193355.db2.gz UDPRLFRMBFBEOE-QAPCUYQASA-N 2 1 283.419 3.436 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000568105406 322193358 /nfs/dbraw/zinc/19/33/58/322193358.db2.gz UDPRLFRMBFBEOE-QAPCUYQASA-N 2 1 283.419 3.436 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000568169106 322195876 /nfs/dbraw/zinc/19/58/76/322195876.db2.gz BKCLWADIFAWXTO-DOTOQJQBSA-N 2 1 283.419 3.231 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000568169106 322195879 /nfs/dbraw/zinc/19/58/79/322195879.db2.gz BKCLWADIFAWXTO-DOTOQJQBSA-N 2 1 283.419 3.231 20 0 CGADMP c1nc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000568374411 322206079 /nfs/dbraw/zinc/20/60/79/322206079.db2.gz VGUIJQFTJOPMHP-MRXNPFEDSA-N 2 1 298.434 3.013 20 0 CGADMP c1nc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000568374411 322206080 /nfs/dbraw/zinc/20/60/80/322206080.db2.gz VGUIJQFTJOPMHP-MRXNPFEDSA-N 2 1 298.434 3.013 20 0 CGADMP c1nc2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC000568374411 322206083 /nfs/dbraw/zinc/20/60/83/322206083.db2.gz VGUIJQFTJOPMHP-MRXNPFEDSA-N 2 1 298.434 3.013 20 0 CGADMP c1nc2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC000568374411 322206085 /nfs/dbraw/zinc/20/60/85/322206085.db2.gz VGUIJQFTJOPMHP-MRXNPFEDSA-N 2 1 298.434 3.013 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)co2)cc1 ZINC000568486831 322211129 /nfs/dbraw/zinc/21/11/29/322211129.db2.gz FFCVWZZBSSVQAZ-CABCVRRESA-N 2 1 285.391 3.010 20 0 CGADMP CC1(C)CCCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000569200046 322238990 /nfs/dbraw/zinc/23/89/90/322238990.db2.gz BAPAJKFJRVOFGR-MRXNPFEDSA-N 2 1 275.440 3.120 20 0 CGADMP CC[C@H](F)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000569514288 322249301 /nfs/dbraw/zinc/24/93/01/322249301.db2.gz ZEFCOZUGKDJFKI-SQNIBIBYSA-N 2 1 290.426 3.188 20 0 CGADMP CC[C@H](F)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569514288 322249302 /nfs/dbraw/zinc/24/93/02/322249302.db2.gz ZEFCOZUGKDJFKI-SQNIBIBYSA-N 2 1 290.426 3.188 20 0 CGADMP CC[C@H](F)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569514288 322249304 /nfs/dbraw/zinc/24/93/04/322249304.db2.gz ZEFCOZUGKDJFKI-SQNIBIBYSA-N 2 1 290.426 3.188 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000569566683 322250321 /nfs/dbraw/zinc/25/03/21/322250321.db2.gz QJHRLJHEPZXHQP-RHSMWYFYSA-N 2 1 260.425 3.083 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569605543 322251741 /nfs/dbraw/zinc/25/17/41/322251741.db2.gz MBZKCDSHHFBUET-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569605543 322251743 /nfs/dbraw/zinc/25/17/43/322251743.db2.gz MBZKCDSHHFBUET-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP [NH3+]CC12CCC(CC1)C[N@H+]2[C@H]1CCCc2ccccc21 ZINC000569744745 322255850 /nfs/dbraw/zinc/25/58/50/322255850.db2.gz PEGLNLGIBDZYGQ-GMXGEUMGSA-N 2 1 270.420 3.267 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000570094006 322264600 /nfs/dbraw/zinc/26/46/00/322264600.db2.gz WXMFJQUJKIGVED-BDAKNGLRSA-N 2 1 261.196 3.209 20 0 CGADMP Cc1cc([C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC000570128042 322265433 /nfs/dbraw/zinc/26/54/33/322265433.db2.gz RWQBYTGNSCFFSU-DGCLKSJQSA-N 2 1 266.454 3.357 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570514712 322275527 /nfs/dbraw/zinc/27/55/27/322275527.db2.gz UBPAEXAIPQWXTJ-KBAYOESNSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570514712 322275528 /nfs/dbraw/zinc/27/55/28/322275528.db2.gz UBPAEXAIPQWXTJ-KBAYOESNSA-N 2 1 284.447 3.429 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000571823179 322308952 /nfs/dbraw/zinc/30/89/52/322308952.db2.gz AKHLOPGLDHIRSU-IQIBNGDESA-N 2 1 288.435 3.028 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000571991797 322314692 /nfs/dbraw/zinc/31/46/92/322314692.db2.gz VWXQCRIHTOLPSQ-CQSZACIVSA-N 2 1 282.815 3.143 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000572589968 322345116 /nfs/dbraw/zinc/34/51/16/322345116.db2.gz WWOKTCQLQYEBOW-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccnc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000573384221 322385472 /nfs/dbraw/zinc/38/54/72/322385472.db2.gz SLWFWMSOGOTWPM-KRWDZBQOSA-N 2 1 287.451 3.055 20 0 CGADMP Cc1ccnc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000573384221 322385474 /nfs/dbraw/zinc/38/54/74/322385474.db2.gz SLWFWMSOGOTWPM-KRWDZBQOSA-N 2 1 287.451 3.055 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000573481300 322390017 /nfs/dbraw/zinc/39/00/17/322390017.db2.gz TUSHIPPYGDWNHC-DZGCQCFKSA-N 2 1 269.392 3.438 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000573481300 322390020 /nfs/dbraw/zinc/39/00/20/322390020.db2.gz TUSHIPPYGDWNHC-DZGCQCFKSA-N 2 1 269.392 3.438 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CC[N@H+]1C ZINC000394574306 329123252 /nfs/dbraw/zinc/12/32/52/329123252.db2.gz OBVGMFOQVYJGSL-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000395125175 329277019 /nfs/dbraw/zinc/27/70/19/329277019.db2.gz BOZSQUFMCNZODI-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1cc(C)ccc1OC ZINC000583018769 329297914 /nfs/dbraw/zinc/29/79/14/329297914.db2.gz TWQHUBLTQGINEH-INIZCTEOSA-N 2 1 278.440 3.432 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)[C@H](C)C1 ZINC000174629368 335161191 /nfs/dbraw/zinc/16/11/91/335161191.db2.gz VDVQDNWHMXQEHN-CZUORRHYSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)[C@H](C)C1 ZINC000174629368 335161193 /nfs/dbraw/zinc/16/11/93/335161193.db2.gz VDVQDNWHMXQEHN-CZUORRHYSA-N 2 1 272.392 3.253 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000576527337 335215552 /nfs/dbraw/zinc/21/55/52/335215552.db2.gz XSTYDOCCDGJWKS-NRSFXHEJSA-N 2 1 272.436 3.308 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccs2)[C@H]2CCC[C@@H]21 ZINC000576774454 335246666 /nfs/dbraw/zinc/24/66/66/335246666.db2.gz SPRZHXKEGGMOMF-PMPSAXMXSA-N 2 1 278.465 3.143 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C(C)C)CCCO2 ZINC000577620174 335379828 /nfs/dbraw/zinc/37/98/28/335379828.db2.gz LFUSYOFTTLRFDN-INIZCTEOSA-N 2 1 276.424 3.186 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1c(F)cccc1Cl ZINC000577622438 335380037 /nfs/dbraw/zinc/38/00/37/335380037.db2.gz YNOBMMRAGVTFEZ-LLVKDONJSA-N 2 1 295.789 3.496 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000581131408 336012848 /nfs/dbraw/zinc/01/28/48/336012848.db2.gz HHXCTJRMPBFMCG-UONOGXRCSA-N 2 1 269.392 3.473 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000581191144 336022140 /nfs/dbraw/zinc/02/21/40/336022140.db2.gz MLRPKSBGDUOAMV-SJLPKXTDSA-N 2 1 292.442 3.324 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000581456591 336080149 /nfs/dbraw/zinc/08/01/49/336080149.db2.gz LRCDEUPJIPUCTA-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000581456591 336080150 /nfs/dbraw/zinc/08/01/50/336080150.db2.gz LRCDEUPJIPUCTA-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000383283302 336106813 /nfs/dbraw/zinc/10/68/13/336106813.db2.gz LNGMMEOPGFDEHD-CALCHBBNSA-N 2 1 272.436 3.043 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385685644 336154424 /nfs/dbraw/zinc/15/44/24/336154424.db2.gz NVYILWUGVDWTDW-NFOMZHRRSA-N 2 1 272.502 3.228 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359216022 533727405 /nfs/dbraw/zinc/72/74/05/533727405.db2.gz JGXGWHASMFDSLS-SFHVURJKSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000358323696 533899537 /nfs/dbraw/zinc/89/95/37/533899537.db2.gz ASMUUCQCHMFIRZ-MAUKXSAKSA-N 2 1 295.430 3.178 20 0 CGADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423373798 533929751 /nfs/dbraw/zinc/92/97/51/533929751.db2.gz SGMXEFFPMDDUFF-LPEHRKFASA-N 2 1 291.222 3.086 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063039 533990206 /nfs/dbraw/zinc/99/02/06/533990206.db2.gz GQZGUSIUZRWMNP-CRAIPNDOSA-N 2 1 274.452 3.362 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000449065898 534258221 /nfs/dbraw/zinc/25/82/21/534258221.db2.gz XIEOEOWSEFXCKR-AWEZNQCLSA-N 2 1 264.413 3.065 20 0 CGADMP Cc1cc[nH+]c(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000425246265 534402616 /nfs/dbraw/zinc/40/26/16/534402616.db2.gz YBJMAMSGEYHNIN-OAHLLOKOSA-N 2 1 296.418 3.423 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccccc2C)C1 ZINC000084678478 520249711 /nfs/dbraw/zinc/24/97/11/520249711.db2.gz MNQOTUFFJVQVAM-KRWDZBQOSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC000084678478 520249716 /nfs/dbraw/zinc/24/97/16/520249716.db2.gz MNQOTUFFJVQVAM-KRWDZBQOSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000084678478 520249724 /nfs/dbraw/zinc/24/97/24/520249724.db2.gz MNQOTUFFJVQVAM-KRWDZBQOSA-N 2 1 274.452 3.201 20 0 CGADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)c1cccc(OC)c1 ZINC000094011583 520976974 /nfs/dbraw/zinc/97/69/74/520976974.db2.gz OQQROSGOVKQWFI-AWEZNQCLSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037643635 521160576 /nfs/dbraw/zinc/16/05/76/521160576.db2.gz GJQKEWHUCSWPOC-WBVHZDCISA-N 2 1 260.425 3.459 20 0 CGADMP CC[N@H+](Cc1ccccc1Cl)CC1CC[NH2+]CC1 ZINC000094011446 521383202 /nfs/dbraw/zinc/38/32/02/521383202.db2.gz HJZBNIRVTUWSIX-UHFFFAOYSA-N 2 1 266.816 3.162 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000081095687 521714169 /nfs/dbraw/zinc/71/41/69/521714169.db2.gz WLCXTFLEYIRAQJ-MLGOLLRUSA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000081095687 521714172 /nfs/dbraw/zinc/71/41/72/521714172.db2.gz WLCXTFLEYIRAQJ-MLGOLLRUSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000081095687 521714173 /nfs/dbraw/zinc/71/41/73/521714173.db2.gz WLCXTFLEYIRAQJ-MLGOLLRUSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000081095687 521714176 /nfs/dbraw/zinc/71/41/76/521714176.db2.gz WLCXTFLEYIRAQJ-MLGOLLRUSA-N 2 1 282.378 3.127 20 0 CGADMP [NH3+]CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423520571 534622337 /nfs/dbraw/zinc/62/23/37/534622337.db2.gz RLUCMIASPBAARB-GBESFXJTSA-N 3 1 295.430 3.201 20 0 CGADMP [NH3+]CC[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000420377507 534636820 /nfs/dbraw/zinc/63/68/20/534636820.db2.gz SDACVHSQXOAULM-MRXNPFEDSA-N 2 1 274.795 3.172 20 0 CGADMP COCc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157411350 523056507 /nfs/dbraw/zinc/05/65/07/523056507.db2.gz IHUYPTZGLDGGKL-ZWKOTPCHSA-N 2 1 282.387 3.067 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCC(F)(F)F)CC[C@@H]21 ZINC000155780446 523857751 /nfs/dbraw/zinc/85/77/51/523857751.db2.gz YTSLYVPOQGLSQW-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC(F)(F)F)CC[C@@H]21 ZINC000155780446 523857753 /nfs/dbraw/zinc/85/77/53/523857753.db2.gz YTSLYVPOQGLSQW-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCC(F)(F)F)CC[C@@H]21 ZINC000155780446 523857759 /nfs/dbraw/zinc/85/77/59/523857759.db2.gz YTSLYVPOQGLSQW-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000037643695 524025058 /nfs/dbraw/zinc/02/50/58/524025058.db2.gz ZDWVWMCGGBVJDX-GDBMZVCRSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1csc(C2([NH2+]CCCn3cc[nH+]c3C)CCC2)n1 ZINC000358791982 534795378 /nfs/dbraw/zinc/79/53/78/534795378.db2.gz MZTRPVHMLOPLSR-UHFFFAOYSA-N 2 1 290.436 3.016 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000088163717 525404383 /nfs/dbraw/zinc/40/43/83/525404383.db2.gz UXYMMJVHJITTJW-JZIBPQBNSA-N 2 1 264.438 3.414 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000088163717 525404393 /nfs/dbraw/zinc/40/43/93/525404393.db2.gz UXYMMJVHJITTJW-JZIBPQBNSA-N 2 1 264.438 3.414 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257685697 526403467 /nfs/dbraw/zinc/40/34/67/526403467.db2.gz MCHZSRZADKFKDY-UHFFFAOYSA-N 2 1 270.376 3.008 20 0 CGADMP C(C[NH+]1CC[C@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528254 527482833 /nfs/dbraw/zinc/48/28/33/527482833.db2.gz YRQNEQHJTKINNI-YYIAUSFCSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@@H]2CCC[C@H]21)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528254 527482842 /nfs/dbraw/zinc/48/28/42/527482842.db2.gz YRQNEQHJTKINNI-YYIAUSFCSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@@H]2CCC[C@H]21)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528254 527482847 /nfs/dbraw/zinc/48/28/47/527482847.db2.gz YRQNEQHJTKINNI-YYIAUSFCSA-N 2 1 262.441 3.125 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000436468735 527629308 /nfs/dbraw/zinc/62/93/08/527629308.db2.gz FZXZRUCXTDCCOC-PFSRBDOWSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000436468735 527629313 /nfs/dbraw/zinc/62/93/13/527629313.db2.gz FZXZRUCXTDCCOC-PFSRBDOWSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccs2)C[C@H]1C ZINC000353751179 527836456 /nfs/dbraw/zinc/83/64/56/527836456.db2.gz IYOUFZLNIPQXMN-OLZOCXBDSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccs2)C[C@H]1C ZINC000353751179 527836461 /nfs/dbraw/zinc/83/64/61/527836461.db2.gz IYOUFZLNIPQXMN-OLZOCXBDSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccs2)C[C@H]1C ZINC000353751179 527836464 /nfs/dbraw/zinc/83/64/64/527836464.db2.gz IYOUFZLNIPQXMN-OLZOCXBDSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccs2)C[C@H]1C ZINC000353751179 527836468 /nfs/dbraw/zinc/83/64/68/527836468.db2.gz IYOUFZLNIPQXMN-OLZOCXBDSA-N 2 1 252.427 3.053 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449069895 527964183 /nfs/dbraw/zinc/96/41/83/527964183.db2.gz AQABJUTWPLFLNF-UHFFFAOYSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)O[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000428253466 528055729 /nfs/dbraw/zinc/05/57/29/528055729.db2.gz QSCSJORBQUAIAQ-WMZOPIPTSA-N 2 1 290.451 3.036 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2cccc(C)c2)CC1 ZINC000449018797 528193573 /nfs/dbraw/zinc/19/35/73/528193573.db2.gz UHHHYUFNAUWHRK-UHFFFAOYSA-N 2 1 274.452 3.344 20 0 CGADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423326231 528329008 /nfs/dbraw/zinc/32/90/08/528329008.db2.gz MKQQCPREYAXFLF-NEPJUHHUSA-N 2 1 252.427 3.185 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423229261 528332464 /nfs/dbraw/zinc/33/24/64/528332464.db2.gz ANCVEEOABNQBJF-UKRRQHHQSA-N 2 1 266.816 3.175 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449129854 528469613 /nfs/dbraw/zinc/46/96/13/528469613.db2.gz DVPWHAQOLRLAKA-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449129854 528469616 /nfs/dbraw/zinc/46/96/16/528469616.db2.gz DVPWHAQOLRLAKA-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423268286 528518755 /nfs/dbraw/zinc/51/87/55/528518755.db2.gz URLSGGJBZQYFJA-UKRRQHHQSA-N 2 1 274.408 3.327 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000423347137 528570967 /nfs/dbraw/zinc/57/09/67/528570967.db2.gz QSYRGKQOHUKLOM-DLBZAZTESA-N 2 1 275.440 3.148 20 0 CGADMP CCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359134701 528692415 /nfs/dbraw/zinc/69/24/15/528692415.db2.gz JGZSZTUNWXSZJK-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359134701 528692421 /nfs/dbraw/zinc/69/24/21/528692421.db2.gz JGZSZTUNWXSZJK-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423303542 528822110 /nfs/dbraw/zinc/82/21/10/528822110.db2.gz XFRHGZRGIUAGJR-GOEBONIOSA-N 2 1 278.465 3.124 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000423300354 528823665 /nfs/dbraw/zinc/82/36/65/528823665.db2.gz RJHNCNJEBRANQQ-ZWKOTPCHSA-N 2 1 274.452 3.423 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000423302240 528956020 /nfs/dbraw/zinc/95/60/20/528956020.db2.gz VBGNPILGTILASC-WCQYABFASA-N 2 1 268.376 3.002 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000414292185 528988203 /nfs/dbraw/zinc/98/82/03/528988203.db2.gz BSNDMSPWKULMPK-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449105462 529086493 /nfs/dbraw/zinc/08/64/93/529086493.db2.gz IAJVRBXNCGKCSQ-ZIAGYGMSSA-N 2 1 296.405 3.390 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423314416 529246575 /nfs/dbraw/zinc/24/65/75/529246575.db2.gz HCMZGORPXSZWRX-IAQYHMDHSA-N 2 1 264.438 3.187 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423449562 529248110 /nfs/dbraw/zinc/24/81/10/529248110.db2.gz RUWORVHDVQKAED-UTUOFQBUSA-N 2 1 252.427 3.185 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423268950 529257141 /nfs/dbraw/zinc/25/71/41/529257141.db2.gz FGTYQQJXPCKASK-RISCZKNCSA-N 2 1 264.438 3.187 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000125993074 535065028 /nfs/dbraw/zinc/06/50/28/535065028.db2.gz NMWBCRQRFWKTBP-ZBFHGGJFSA-N 2 1 294.487 3.481 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459726909 535364308 /nfs/dbraw/zinc/36/43/08/535364308.db2.gz GSHGYYSUDJXUAI-HZPDHXFCSA-N 2 1 252.446 3.443 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512050561 535525667 /nfs/dbraw/zinc/52/56/67/535525667.db2.gz CVYZHASGUJENSQ-UJAVWCLSSA-N 2 1 294.389 3.300 20 0 CGADMP CC[C@@H](C[N@H+]1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470020529 535744874 /nfs/dbraw/zinc/74/48/74/535744874.db2.gz JDTNUZQAVKUYPG-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc4ccccc43)[C@@H]2C1 ZINC000495150709 536464693 /nfs/dbraw/zinc/46/46/93/536464693.db2.gz XOIVFGLFMZPEFD-VQIMIIECSA-N 2 1 280.415 3.366 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc4ccccc43)[C@@H]2C1 ZINC000495150709 536464694 /nfs/dbraw/zinc/46/46/94/536464694.db2.gz XOIVFGLFMZPEFD-VQIMIIECSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc4ccccc43)[C@@H]2C1 ZINC000495150709 536464695 /nfs/dbraw/zinc/46/46/95/536464695.db2.gz XOIVFGLFMZPEFD-VQIMIIECSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc4ccccc43)[C@@H]2C1 ZINC000495150709 536464697 /nfs/dbraw/zinc/46/46/97/536464697.db2.gz XOIVFGLFMZPEFD-VQIMIIECSA-N 2 1 280.415 3.366 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000382360973 572359075 /nfs/dbraw/zinc/35/90/75/572359075.db2.gz MMAREFFXKDFOAG-BLLLJJGKSA-N 2 1 280.843 3.126 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000382360973 572359080 /nfs/dbraw/zinc/35/90/80/572359080.db2.gz MMAREFFXKDFOAG-BLLLJJGKSA-N 2 1 280.843 3.126 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000390836037 572360323 /nfs/dbraw/zinc/36/03/23/572360323.db2.gz JFUQXCNBIIABJX-LNRIEFBSSA-N 2 1 264.457 3.418 20 0 CGADMP CCOc1ccccc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222927709 572361939 /nfs/dbraw/zinc/36/19/39/572361939.db2.gz POQLYXAAROIYIB-SOUVJXGZSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000222927709 572361943 /nfs/dbraw/zinc/36/19/43/572361943.db2.gz POQLYXAAROIYIB-SOUVJXGZSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222927709 572361948 /nfs/dbraw/zinc/36/19/48/572361948.db2.gz POQLYXAAROIYIB-SOUVJXGZSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222927709 572361951 /nfs/dbraw/zinc/36/19/51/572361951.db2.gz POQLYXAAROIYIB-SOUVJXGZSA-N 2 1 276.424 3.219 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[Si](C)(C)C)C1 ZINC000733794435 572603275 /nfs/dbraw/zinc/60/32/75/572603275.db2.gz DFSPFBPIDLAWTP-HOTGVXAUSA-N 2 1 282.548 3.450 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000733794435 572603280 /nfs/dbraw/zinc/60/32/80/572603280.db2.gz DFSPFBPIDLAWTP-HOTGVXAUSA-N 2 1 282.548 3.450 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000733794435 572603283 /nfs/dbraw/zinc/60/32/83/572603283.db2.gz DFSPFBPIDLAWTP-HOTGVXAUSA-N 2 1 282.548 3.450 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261541948 618079746 /nfs/dbraw/zinc/07/97/46/618079746.db2.gz MXDXKQSPUJRIOW-AGIUHOORSA-N 2 1 252.427 3.129 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000050245306 618083338 /nfs/dbraw/zinc/08/33/38/618083338.db2.gz JGPICVNCGZYEMZ-NSHDSACASA-N 2 1 290.354 3.079 20 0 CGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCc2c[nH+]cn2C)CC1 ZINC000926204372 618243549 /nfs/dbraw/zinc/24/35/49/618243549.db2.gz SFEDUEAOKRBCCJ-LSDHHAIUSA-N 2 1 261.413 3.077 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000891933904 618393179 /nfs/dbraw/zinc/39/31/79/618393179.db2.gz OJSQWQSOTGXXIR-UHFFFAOYSA-N 2 1 289.467 3.054 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(O)cc(Cl)c2)[C@H](C)C1 ZINC000892106175 618535773 /nfs/dbraw/zinc/53/57/73/618535773.db2.gz SFNZZIDIJTXNRL-MLGOLLRUSA-N 2 1 296.842 3.208 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(O)cc(Cl)c2)[C@H](C)C1 ZINC000892106175 618535784 /nfs/dbraw/zinc/53/57/84/618535784.db2.gz SFNZZIDIJTXNRL-MLGOLLRUSA-N 2 1 296.842 3.208 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(O)cc(Cl)c2)[C@H](C)C1 ZINC000892106175 618535793 /nfs/dbraw/zinc/53/57/93/618535793.db2.gz SFNZZIDIJTXNRL-MLGOLLRUSA-N 2 1 296.842 3.208 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(O)cc(Cl)c2)[C@H](C)C1 ZINC000892106175 618535802 /nfs/dbraw/zinc/53/58/02/618535802.db2.gz SFNZZIDIJTXNRL-MLGOLLRUSA-N 2 1 296.842 3.208 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000121785394 618611441 /nfs/dbraw/zinc/61/14/41/618611441.db2.gz RVEXFANQYOJBFA-OWCLPIDISA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000892583225 618867831 /nfs/dbraw/zinc/86/78/31/618867831.db2.gz AQGKUBTYBBXPTP-AWEZNQCLSA-N 2 1 294.414 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H](CNCc2ccc(C(F)F)c(F)c2)C1 ZINC000892615111 618875066 /nfs/dbraw/zinc/87/50/66/618875066.db2.gz VWFFGSMNDMHMLO-LBPRGKRZSA-N 2 1 286.341 3.195 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892615111 618875067 /nfs/dbraw/zinc/87/50/67/618875067.db2.gz VWFFGSMNDMHMLO-LBPRGKRZSA-N 2 1 286.341 3.195 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892615111 618875069 /nfs/dbraw/zinc/87/50/69/618875069.db2.gz VWFFGSMNDMHMLO-LBPRGKRZSA-N 2 1 286.341 3.195 20 0 CGADMP C[C@@H](N)[C@H]([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000925523894 619018192 /nfs/dbraw/zinc/01/81/92/619018192.db2.gz OSFHQGIVZFJSNR-QAPCUYQASA-N 2 1 284.403 3.134 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CCC(C)(C)C3CC3)C[C@]2(C)C1 ZINC000931318442 619143847 /nfs/dbraw/zinc/14/38/47/619143847.db2.gz TXAQNKJNSNPAHX-IRXDYDNUSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000925786715 619247892 /nfs/dbraw/zinc/24/78/92/619247892.db2.gz VHNRLWXDJXMQJX-RMPHRYRLSA-N 2 1 284.856 3.091 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094371407 619250049 /nfs/dbraw/zinc/25/00/49/619250049.db2.gz AQGZZNIVDOYINU-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925791958 619250822 /nfs/dbraw/zinc/25/08/22/619250822.db2.gz DIULWUPPORRACZ-KRWDZBQOSA-N 2 1 296.499 3.196 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000925822346 619268172 /nfs/dbraw/zinc/26/81/72/619268172.db2.gz LUMOVFWHBKAYJH-KYJSFNMBSA-N 2 1 287.451 3.433 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261551678 619288418 /nfs/dbraw/zinc/28/84/18/619288418.db2.gz QUEQQBMAPQFONN-UHFFFAOYSA-N 2 1 284.403 3.093 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CSC(C)(C)C ZINC000178701329 619375182 /nfs/dbraw/zinc/37/51/82/619375182.db2.gz OLWUOHVULKROIB-CHWSQXEVSA-N 2 1 283.485 3.337 20 0 CGADMP CN(C/C=C\c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894747912 619618945 /nfs/dbraw/zinc/61/89/45/619618945.db2.gz FZHUTUJSXLPACY-VQYIBSCJSA-N 2 1 288.410 3.396 20 0 CGADMP C[N@H+](C/C=C\c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894747912 619618947 /nfs/dbraw/zinc/61/89/47/619618947.db2.gz FZHUTUJSXLPACY-VQYIBSCJSA-N 2 1 288.410 3.396 20 0 CGADMP C[NH+](C/C=C\c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894747912 619618957 /nfs/dbraw/zinc/61/89/57/619618957.db2.gz FZHUTUJSXLPACY-VQYIBSCJSA-N 2 1 288.410 3.396 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925120594 619762986 /nfs/dbraw/zinc/76/29/86/619762986.db2.gz KTFWERLWBFGELR-VUCRHFMTSA-N 2 1 294.483 3.187 20 0 CGADMP C/C=C/C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895670185 619869402 /nfs/dbraw/zinc/86/94/02/619869402.db2.gz BKRKLSBZHGGKFQ-BWPKMQGJSA-N 2 1 250.430 3.006 20 0 CGADMP COC1CCC(C[N@@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000896026927 619934016 /nfs/dbraw/zinc/93/40/16/619934016.db2.gz FKWXVIZFYWBHMH-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897620123 620412915 /nfs/dbraw/zinc/41/29/15/620412915.db2.gz HVSVYNZDVJBKKI-GBESFXJTSA-N 2 1 286.463 3.310 20 0 CGADMP CC(C)[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897620123 620412918 /nfs/dbraw/zinc/41/29/18/620412918.db2.gz HVSVYNZDVJBKKI-GBESFXJTSA-N 2 1 286.463 3.310 20 0 CGADMP CC(C)[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897620123 620412922 /nfs/dbraw/zinc/41/29/22/620412922.db2.gz HVSVYNZDVJBKKI-GBESFXJTSA-N 2 1 286.463 3.310 20 0 CGADMP C1=CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000898032169 620470148 /nfs/dbraw/zinc/47/01/48/620470148.db2.gz LIKHDRPPOLGEIQ-GVDBMIGSSA-N 2 1 262.441 3.339 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc2ccncc2s1 ZINC000898306429 620509276 /nfs/dbraw/zinc/50/92/76/620509276.db2.gz JECXEZMXZZXNPA-UHFFFAOYSA-N 2 1 291.464 3.316 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc2cccnc21 ZINC000898309445 620510410 /nfs/dbraw/zinc/51/04/10/620510410.db2.gz MLYUEGDCIIJESS-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1[C@H](C)COC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000924650968 620556059 /nfs/dbraw/zinc/55/60/59/620556059.db2.gz OEGYBGNBZKFLOR-BRWVUGGUSA-N 2 1 296.499 3.004 20 0 CGADMP C[C@H]1CC2(CC([NH2+]CCCC[N@H+]3CCCC[C@H]3C)C2)CO1 ZINC000924685361 620562437 /nfs/dbraw/zinc/56/24/37/620562437.db2.gz IJPCLFNFIGLVLT-VEZWFGLTSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1(Cl)CC1 ZINC000924689034 620563722 /nfs/dbraw/zinc/56/37/22/620563722.db2.gz WFVZUNRMMFWOGY-ZIAGYGMSSA-N 2 1 272.864 3.391 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000902407202 621293204 /nfs/dbraw/zinc/29/32/04/621293204.db2.gz QBKPRVCTKMMWMQ-HIFRSBDPSA-N 2 1 278.827 3.132 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(OCc2ccccc2)c1 ZINC000902416892 621309881 /nfs/dbraw/zinc/30/98/81/621309881.db2.gz PAKPUYQPPJWPQF-HNNXBMFYSA-N 2 1 296.414 3.408 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H](C)c1ccc(Cl)cc1 ZINC000902469375 621340223 /nfs/dbraw/zinc/34/02/23/621340223.db2.gz PUEJXSWZKAASND-AISHXMHISA-N 2 1 278.827 3.315 20 0 CGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470215 621341041 /nfs/dbraw/zinc/34/10/41/621341041.db2.gz UULSLXNHCIBODX-DZGBDDFRSA-N 2 1 298.352 3.119 20 0 CGADMP CNc1ccc(C)cc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000902626267 621388632 /nfs/dbraw/zinc/38/86/32/621388632.db2.gz SZHMURSMFVXRHM-KRWDZBQOSA-N 2 1 287.451 3.143 20 0 CGADMP CNc1ccc(C)cc1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000902626267 621388635 /nfs/dbraw/zinc/38/86/35/621388635.db2.gz SZHMURSMFVXRHM-KRWDZBQOSA-N 2 1 287.451 3.143 20 0 CGADMP CC(C)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000903009546 621531494 /nfs/dbraw/zinc/53/14/94/621531494.db2.gz BBJPKSPBCQMERY-HQSKLWIPSA-N 2 1 294.483 3.043 20 0 CGADMP C([NH2+]C1C[C@H]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000903060083 621549022 /nfs/dbraw/zinc/54/90/22/621549022.db2.gz ZVCDYTARHBEBJM-BRWVUGGUSA-N 2 1 276.468 3.277 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903111809 621584677 /nfs/dbraw/zinc/58/46/77/621584677.db2.gz XBQSBOGXCLIFRF-AIDGVLJZSA-N 2 1 262.441 3.313 20 0 CGADMP c1cc2c(cccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[nH]1 ZINC000903214422 621631809 /nfs/dbraw/zinc/63/18/09/621631809.db2.gz VEJIDJATBIHHEH-ZXFUBFMLSA-N 2 1 295.430 3.415 20 0 CGADMP C1=CCCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903219527 621632971 /nfs/dbraw/zinc/63/29/71/621632971.db2.gz HSDGTURJPCBKLW-ZXFUBFMLSA-N 2 1 260.425 3.233 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@]12C[C@H]1CCCC2 ZINC000903220290 621633817 /nfs/dbraw/zinc/63/38/17/621633817.db2.gz KVBKHNLNPHXWBO-LHCMDFTLSA-N 2 1 274.452 3.314 20 0 CGADMP C[C@H](CC1CCC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903384396 621726631 /nfs/dbraw/zinc/72/66/31/621726631.db2.gz RNHQENXMVVTAEP-PBHICJAKSA-N 2 1 275.440 3.243 20 0 CGADMP CCSc1ccccc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000903427176 621741525 /nfs/dbraw/zinc/74/15/25/621741525.db2.gz UKWNYIRCPPEYES-HNNXBMFYSA-N 2 1 264.438 3.016 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435881 621745262 /nfs/dbraw/zinc/74/52/62/621745262.db2.gz ZGUHJUNAMXNYKC-MFKMUULPSA-N 2 1 270.779 3.038 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439336 621748548 /nfs/dbraw/zinc/74/85/48/621748548.db2.gz GHEWOZDLRKQYPN-QDEZUTFSSA-N 2 1 276.399 3.336 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000903460671 621752719 /nfs/dbraw/zinc/75/27/19/621752719.db2.gz HJUAEMNVYIIXON-WMLDXEAASA-N 2 1 296.414 3.432 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2[nH]1 ZINC000903454365 621761902 /nfs/dbraw/zinc/76/19/02/621761902.db2.gz YZAHINJGRVQOPL-ZWKOTPCHSA-N 2 1 297.446 3.380 20 0 CGADMP Clc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469852 621762609 /nfs/dbraw/zinc/76/26/09/621762609.db2.gz YKYMHXGVMJEDMJ-OAHLLOKOSA-N 2 1 278.827 3.147 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903455302 621762820 /nfs/dbraw/zinc/76/28/20/621762820.db2.gz SNPUIKONHJEOLT-JLHFOLKXSA-N 2 1 294.389 3.011 20 0 CGADMP Cc1csc(C2([NH2+]C[C@@H]3CCCC[NH2+]C3)CCCC2)n1 ZINC000903740716 621801129 /nfs/dbraw/zinc/80/11/29/621801129.db2.gz KFXWKVQZFBOGFR-CQSZACIVSA-N 2 1 293.480 3.200 20 0 CGADMP CCCCC[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764537 621803078 /nfs/dbraw/zinc/80/30/78/621803078.db2.gz URIQQZNAOKEDIV-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cc(C)nc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000903813075 621815038 /nfs/dbraw/zinc/81/50/38/621815038.db2.gz YMGSKMLPFPLKDU-KRWDZBQOSA-N 2 1 287.451 3.182 20 0 CGADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902981 621830558 /nfs/dbraw/zinc/83/05/58/621830558.db2.gz QDTYFMSOGOBGPT-KZWUZSNJSA-N 2 1 290.373 3.180 20 0 CGADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)c1cccc(O)c1 ZINC000903904664 621831692 /nfs/dbraw/zinc/83/16/92/621831692.db2.gz XZQXVTKBFWCPFP-ZBSSRIJBSA-N 2 1 288.435 3.306 20 0 CGADMP CCCCC1CCC([NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC000903924700 621833921 /nfs/dbraw/zinc/83/39/21/621833921.db2.gz HSHCDLVBTVXYQO-OTTFEQOBSA-N 2 1 262.388 3.308 20 0 CGADMP CC[C@@](C)([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc(F)cc1 ZINC000903935443 621835705 /nfs/dbraw/zinc/83/57/05/621835705.db2.gz POPGMXSIUTXHNU-GXTWGEPZSA-N 2 1 274.330 3.023 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000903938779 621836233 /nfs/dbraw/zinc/83/62/33/621836233.db2.gz KCCOFEYCEPOTIG-UHFFFAOYSA-N 2 1 278.293 3.062 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)ccc2cn1 ZINC000903959565 621836944 /nfs/dbraw/zinc/83/69/44/621836944.db2.gz JVWOWFFYKJHELI-IBGZPJMESA-N 2 1 295.430 3.200 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000903964924 621845433 /nfs/dbraw/zinc/84/54/33/621845433.db2.gz YCRMZGXFMYXXAB-JTNHKYCSSA-N 2 1 286.341 3.006 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C[C@H]3C[C@@H]([NH3+])C3)ccc2c1 ZINC000904304287 621902289 /nfs/dbraw/zinc/90/22/89/621902289.db2.gz XZCRFKMBRZITOQ-KDYLLFBJSA-N 2 1 284.403 3.018 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000904340186 621909661 /nfs/dbraw/zinc/90/96/61/621909661.db2.gz GABKXAVAKBXZEY-OAHLLOKOSA-N 2 1 282.472 3.033 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCCC2(CCOCC2)C1 ZINC000904340186 621909667 /nfs/dbraw/zinc/90/96/67/621909667.db2.gz GABKXAVAKBXZEY-OAHLLOKOSA-N 2 1 282.472 3.033 20 0 CGADMP COCc1ccccc1C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904360861 621911907 /nfs/dbraw/zinc/91/19/07/621911907.db2.gz QNOUDAJEUBINTA-INIZCTEOSA-N 2 1 278.440 3.076 20 0 CGADMP CC(C)(C)CC[C@H](N)C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000904384648 621916584 /nfs/dbraw/zinc/91/65/84/621916584.db2.gz LAFLYZZDSNPABW-HOTGVXAUSA-N 2 1 295.515 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCc2ccc(Cl)cc21 ZINC000904376711 621916775 /nfs/dbraw/zinc/91/67/75/621916775.db2.gz XUGCEVLZFMYTSS-JMSVASOKSA-N 2 1 278.827 3.039 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000904451640 621924099 /nfs/dbraw/zinc/92/40/99/621924099.db2.gz XUHDBYPOLCPFRS-UHFFFAOYSA-N 2 1 268.360 3.060 20 0 CGADMP Cc1[nH+]ccn1CCCOc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000905618546 622091142 /nfs/dbraw/zinc/09/11/42/622091142.db2.gz ZVJNDXDRVZCQSQ-KRWDZBQOSA-N 2 1 285.391 3.085 20 0 CGADMP [NH3+]C1CC([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000906508637 622241355 /nfs/dbraw/zinc/24/13/55/622241355.db2.gz SDDYADKKVJYNEY-UHFFFAOYSA-N 2 1 292.329 3.021 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC000229060701 623096098 /nfs/dbraw/zinc/09/60/98/623096098.db2.gz VOCJGBUMLBHPIP-MPKXVKKWSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC000229060701 623096103 /nfs/dbraw/zinc/09/61/03/623096103.db2.gz VOCJGBUMLBHPIP-MPKXVKKWSA-N 2 1 282.790 3.038 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[NH+](C)C ZINC000921522285 625631779 /nfs/dbraw/zinc/63/17/79/625631779.db2.gz PMNZGGDYEDJASM-XDNAFOTISA-N 2 1 296.499 3.148 20 0 CGADMP CSCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230391770 623236762 /nfs/dbraw/zinc/23/67/62/623236762.db2.gz BPMBKGRAWKQOST-LSDHHAIUSA-N 2 1 270.486 3.126 20 0 CGADMP CC(C)[N@@H+](Cc1cccs1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862600 623271904 /nfs/dbraw/zinc/27/19/04/623271904.db2.gz HTFGEHDZMYMHNM-HNNXBMFYSA-N 2 1 266.454 3.348 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231455529 623323902 /nfs/dbraw/zinc/32/39/02/623323902.db2.gz FLMOKLSFCNQCHZ-OAHLLOKOSA-N 2 1 266.816 3.222 20 0 CGADMP C[C@H]1CC[C@H](C)C1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000925387045 623518113 /nfs/dbraw/zinc/51/81/13/623518113.db2.gz JXMRCTVACDTQIF-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2CF)C1 ZINC000929747148 623549341 /nfs/dbraw/zinc/54/93/41/623549341.db2.gz BDPOUYGEJTYHKG-OAHLLOKOSA-N 2 1 278.415 3.320 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000929747148 623549345 /nfs/dbraw/zinc/54/93/45/623549345.db2.gz BDPOUYGEJTYHKG-OAHLLOKOSA-N 2 1 278.415 3.320 20 0 CGADMP CSC(C)(C)CC[NH2+]CCCCn1cc[nH+]c1C ZINC000877058014 634966651 /nfs/dbraw/zinc/96/66/51/634966651.db2.gz SCISLTRVRWFTSU-UHFFFAOYSA-N 2 1 269.458 3.093 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000921685439 625832969 /nfs/dbraw/zinc/83/29/69/625832969.db2.gz HZSCHXHSCCNFNM-AEGPPILISA-N 2 1 281.469 3.091 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000230048546 625855165 /nfs/dbraw/zinc/85/51/65/625855165.db2.gz KNHFCKAMRYHHHY-VHDGCEQUSA-N 2 1 298.352 3.265 20 0 CGADMP CSCc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000922181034 625979890 /nfs/dbraw/zinc/97/98/90/625979890.db2.gz KXAITOJLNJKHNA-INIZCTEOSA-N 2 1 292.492 3.371 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000922269330 625992005 /nfs/dbraw/zinc/99/20/05/625992005.db2.gz MPMKFHYQWGWOHF-GVDBMIGSSA-N 2 1 296.524 3.372 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922667232 626028494 /nfs/dbraw/zinc/02/84/94/626028494.db2.gz JQBNIYMRXLWMKF-BMFZPTHFSA-N 2 1 276.399 3.412 20 0 CGADMP c1cc([C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000923375052 626149525 /nfs/dbraw/zinc/14/95/25/626149525.db2.gz XNNRMJYOTFVVPX-ONQFOCNCSA-N 2 1 285.435 3.139 20 0 CGADMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000923432787 626153965 /nfs/dbraw/zinc/15/39/65/626153965.db2.gz PWDLIBZHHONEJY-INIZCTEOSA-N 2 1 286.419 3.165 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493841 626158486 /nfs/dbraw/zinc/15/84/86/626158486.db2.gz IRXYFHWDFNRUPK-MBNYWOFBSA-N 2 1 266.816 3.318 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923502710 626158838 /nfs/dbraw/zinc/15/88/38/626158838.db2.gz DPAKMUJYSCFYSC-NWDGAFQWSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502315 626158904 /nfs/dbraw/zinc/15/89/04/626158904.db2.gz WIVYFMPJUPAWAJ-IJEWVQPXSA-N 2 1 299.418 3.319 20 0 CGADMP c1cc2c(nc[nH+]c2NC2CCC([NH+]3CCCCC3)CC2)[nH]1 ZINC000751110750 626376516 /nfs/dbraw/zinc/37/65/16/626376516.db2.gz JGYYGQSFJOTCPH-UHFFFAOYSA-N 2 1 299.422 3.167 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000754785659 626587098 /nfs/dbraw/zinc/58/70/98/626587098.db2.gz MZMSPPJEWUNJPE-KBRIMQKVSA-N 2 1 276.399 3.146 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000754977215 626595133 /nfs/dbraw/zinc/59/51/33/626595133.db2.gz NMLKNOMEEADDFU-OAHLLOKOSA-N 2 1 260.425 3.338 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000754977215 626595136 /nfs/dbraw/zinc/59/51/36/626595136.db2.gz NMLKNOMEEADDFU-OAHLLOKOSA-N 2 1 260.425 3.338 20 0 CGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000839533123 626757043 /nfs/dbraw/zinc/75/70/43/626757043.db2.gz PNCUGKKZSSPYKZ-ZWKOTPCHSA-N 2 1 270.420 3.267 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000765790564 627271085 /nfs/dbraw/zinc/27/10/85/627271085.db2.gz GHCQCBVZRVMWIF-BZSNNMDCSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000765790564 627271087 /nfs/dbraw/zinc/27/10/87/627271087.db2.gz GHCQCBVZRVMWIF-BZSNNMDCSA-N 2 1 294.483 3.188 20 0 CGADMP CCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765977086 627283313 /nfs/dbraw/zinc/28/33/13/627283313.db2.gz PVAXGKIWXCBPMS-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000768677044 627492569 /nfs/dbraw/zinc/49/25/69/627492569.db2.gz HZQMPOLLJJCYGI-JXQTWKCFSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+]C2CC(C(F)F)C2)([NH+](C)C)C1 ZINC000768687948 627493324 /nfs/dbraw/zinc/49/33/24/627493324.db2.gz NFGSAJITIWVREV-LPXQKFACSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCSC1 ZINC000769011945 627516768 /nfs/dbraw/zinc/51/67/68/627516768.db2.gz FLRYCCXEZWJMER-GJZGRUSLSA-N 2 1 270.486 3.126 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCc2cccs2)cc1 ZINC000769499145 627560419 /nfs/dbraw/zinc/56/04/19/627560419.db2.gz MYKIANQGZWGVKL-UHFFFAOYSA-N 2 1 288.460 3.484 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000772949917 627833657 /nfs/dbraw/zinc/83/36/57/627833657.db2.gz ZNAIFEDDMMUADX-GFCCVEGCSA-N 2 1 281.831 3.258 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000773070550 627849824 /nfs/dbraw/zinc/84/98/24/627849824.db2.gz XRVZLHKIYKBNKG-DOTOQJQBSA-N 2 1 260.425 3.123 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2ccc(C[NH+](C)C)c(F)c2)[C@H](C)C1 ZINC000777699260 628293759 /nfs/dbraw/zinc/29/37/59/628293759.db2.gz ARTOEBHQTNFQBO-CXAGYDPISA-N 2 1 293.430 3.030 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183226 628621398 /nfs/dbraw/zinc/62/13/98/628621398.db2.gz IXJRZGBWUHYNLG-GOSISDBHSA-N 2 1 274.452 3.281 20 0 CGADMP CC[N@H+](Cc1ccccc1C)CC1CC[NH+](C)CC1 ZINC000788468028 629056357 /nfs/dbraw/zinc/05/63/57/629056357.db2.gz CZTOHBXRSOXALX-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790049558 629179703 /nfs/dbraw/zinc/17/97/03/629179703.db2.gz NZAVOWGEJDQDKK-HOCLYGCPSA-N 2 1 260.425 3.036 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790049558 629179706 /nfs/dbraw/zinc/17/97/06/629179706.db2.gz NZAVOWGEJDQDKK-HOCLYGCPSA-N 2 1 260.425 3.036 20 0 CGADMP Cc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cnc1Cl ZINC000791010800 629249644 /nfs/dbraw/zinc/24/96/44/629249644.db2.gz KOSUSMMHIVQXGX-UHFFFAOYSA-N 2 1 295.858 3.255 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@]3(C)CCCS3)C2)CC1 ZINC000862353264 629347149 /nfs/dbraw/zinc/34/71/49/629347149.db2.gz YNKLQNMUTUYMIH-OAHLLOKOSA-N 2 1 282.497 3.080 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002694 630014484 /nfs/dbraw/zinc/01/44/84/630014484.db2.gz PGFDHNONXVEICG-SOLBZPMBSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cncc2ccccc21 ZINC000798958409 630128278 /nfs/dbraw/zinc/12/82/78/630128278.db2.gz XSJBLFAFCOVBQC-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cncc2ccccc21 ZINC000798958409 630128281 /nfs/dbraw/zinc/12/82/81/630128281.db2.gz XSJBLFAFCOVBQC-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000798957967 630128291 /nfs/dbraw/zinc/12/82/91/630128291.db2.gz VDUKRLSMVRJKPU-UHFFFAOYSA-N 2 1 272.436 3.303 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000798956621 630128598 /nfs/dbraw/zinc/12/85/98/630128598.db2.gz GRFHXHXPCNTDOW-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000865456755 630133355 /nfs/dbraw/zinc/13/33/55/630133355.db2.gz RBPWHBGAUNHWTD-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC000799177314 630153395 /nfs/dbraw/zinc/15/33/95/630153395.db2.gz LMAXAIDCGBMFDT-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000808694559 630294706 /nfs/dbraw/zinc/29/47/06/630294706.db2.gz DTFKQFAYXMNLRB-XYJFISCASA-N 2 1 296.499 3.434 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cccc(Cl)n1)CC1CCCC1 ZINC000843384990 635656416 /nfs/dbraw/zinc/65/64/16/635656416.db2.gz NBAYQKFSFHITNF-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP Clc1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000843386451 635657323 /nfs/dbraw/zinc/65/73/23/635657323.db2.gz IGEYUWNUGLQDSO-RYUDHWBXSA-N 2 1 299.871 3.008 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817931390 632236301 /nfs/dbraw/zinc/23/63/01/632236301.db2.gz RTOCBGQEHCPQLD-SOUVJXGZSA-N 2 1 293.842 3.054 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000817959152 632254456 /nfs/dbraw/zinc/25/44/56/632254456.db2.gz PUFKEAOTPOSIRE-UKRRQHHQSA-N 2 1 264.413 3.109 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(SC(F)F)cc1 ZINC000817960603 632255872 /nfs/dbraw/zinc/25/58/72/632255872.db2.gz OSEJMUGJKKLQDS-SECBINFHSA-N 2 1 274.380 3.389 20 0 CGADMP Cc1cnc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000820812120 632681242 /nfs/dbraw/zinc/68/12/42/632681242.db2.gz DEKHBNWEWGGEFU-ZDUSSCGKSA-N 2 1 289.448 3.364 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C[C@H](C)O1 ZINC000865804724 632894263 /nfs/dbraw/zinc/89/42/63/632894263.db2.gz GEQOONCXBAQSNI-KYHPRHEASA-N 2 1 294.483 3.329 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C[C@H](C)O1 ZINC000865804724 632894268 /nfs/dbraw/zinc/89/42/68/632894268.db2.gz GEQOONCXBAQSNI-KYHPRHEASA-N 2 1 294.483 3.329 20 0 CGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865829597 632904225 /nfs/dbraw/zinc/90/42/25/632904225.db2.gz CWHZHMSTOWYKLX-AAVRWANBSA-N 2 1 288.357 3.100 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000866218025 633032409 /nfs/dbraw/zinc/03/24/09/633032409.db2.gz KLKMPIYDEBKDGS-DLBZAZTESA-N 2 1 289.467 3.257 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866259350 633047857 /nfs/dbraw/zinc/04/78/57/633047857.db2.gz APESSIQYLJRXQD-FUHWJXTLSA-N 2 1 289.467 3.113 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866261864 633050058 /nfs/dbraw/zinc/05/00/58/633050058.db2.gz XYFVYUJLQBZBTJ-KBAYOESNSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866365223 633103322 /nfs/dbraw/zinc/10/33/22/633103322.db2.gz QYUWHMCVGWRGCH-HZPDHXFCSA-N 2 1 277.456 3.113 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866365223 633103324 /nfs/dbraw/zinc/10/33/24/633103324.db2.gz QYUWHMCVGWRGCH-HZPDHXFCSA-N 2 1 277.456 3.113 20 0 CGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561523 633192121 /nfs/dbraw/zinc/19/21/21/633192121.db2.gz GPUCYATUQMWMBW-JFIYKMOQSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561523 633192124 /nfs/dbraw/zinc/19/21/24/633192124.db2.gz GPUCYATUQMWMBW-JFIYKMOQSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCOC1 ZINC000866562327 633193860 /nfs/dbraw/zinc/19/38/60/633193860.db2.gz RIQMZEIGBLVBHC-BQFCYCMXSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCCOC1 ZINC000866562327 633193865 /nfs/dbraw/zinc/19/38/65/633193865.db2.gz RIQMZEIGBLVBHC-BQFCYCMXSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)nc1Cl ZINC000866667250 633229663 /nfs/dbraw/zinc/22/96/63/633229663.db2.gz GUALGPQHVPKZFG-ZDUSSCGKSA-N 2 1 293.842 3.007 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCOC(C)C)CC1 ZINC000880255584 635958879 /nfs/dbraw/zinc/95/88/79/635958879.db2.gz QPWVPKCEFAMBNX-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)C[C@@]2(C)CC2(Cl)Cl)C[C@H]1C ZINC000827973118 633542425 /nfs/dbraw/zinc/54/24/25/633542425.db2.gz GMIXQJUCIKGGBT-FRRDWIJNSA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CC2(Cl)Cl)C[C@H]1C ZINC000827973118 633542438 /nfs/dbraw/zinc/54/24/38/633542438.db2.gz GMIXQJUCIKGGBT-FRRDWIJNSA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CC2(Cl)Cl)C[C@H]1C ZINC000827973118 633542445 /nfs/dbraw/zinc/54/24/45/633542445.db2.gz GMIXQJUCIKGGBT-FRRDWIJNSA-N 2 1 293.282 3.375 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)CCC(F)(F)F)C1 ZINC000872023347 633943208 /nfs/dbraw/zinc/94/32/08/633943208.db2.gz GCKYULMXHMYBJA-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C(C)(C)CC ZINC000872025565 633946404 /nfs/dbraw/zinc/94/64/04/633946404.db2.gz OZBFZMUAIIKKIM-CQSZACIVSA-N 2 1 251.418 3.386 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872033896 633953172 /nfs/dbraw/zinc/95/31/72/633953172.db2.gz JZYNFXGCKHRXFX-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(O)ccc1F ZINC000872077430 634000420 /nfs/dbraw/zinc/00/04/20/634000420.db2.gz IGPWTKBMSKAEMJ-GFCCVEGCSA-N 2 1 280.387 3.056 20 0 CGADMP COc1ccccc1C[N@@H+](CCCCCC[NH3+])C1CC1 ZINC000846218483 636161204 /nfs/dbraw/zinc/16/12/04/636161204.db2.gz VMRWCQIDGUCOEB-UHFFFAOYSA-N 2 1 276.424 3.179 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)nc(Cl)c1 ZINC000872155589 634065619 /nfs/dbraw/zinc/06/56/19/634065619.db2.gz RTOUFYFWPOTHKM-UHFFFAOYSA-N 2 1 290.238 3.339 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCCc1cccc(F)c1 ZINC000872155699 634065739 /nfs/dbraw/zinc/06/57/39/634065739.db2.gz SCPCVKNGJXWCPK-UHFFFAOYSA-N 2 1 266.404 3.209 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000872155819 634066635 /nfs/dbraw/zinc/06/66/35/634066635.db2.gz WRRGMMGYEJIEHI-INIZCTEOSA-N 2 1 264.388 3.264 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C/C=C\Cl)C1)C1CCCC1 ZINC000872156450 634067242 /nfs/dbraw/zinc/06/72/42/634067242.db2.gz JXUKUDJOGHGFCF-BPELZBTASA-N 2 1 270.848 3.359 20 0 CGADMP Cc1nocc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158302 634068735 /nfs/dbraw/zinc/06/87/35/634068735.db2.gz UUKRWRVIVCRFPB-YOEHRIQHSA-N 2 1 291.439 3.103 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000832761941 634092888 /nfs/dbraw/zinc/09/28/88/634092888.db2.gz YXUYRIXUCAUFKZ-LBPRGKRZSA-N 2 1 279.255 3.034 20 0 CGADMP CC(C)[C@@H](C)[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873200884 634283359 /nfs/dbraw/zinc/28/33/59/634283359.db2.gz MAXICYQWCDODAL-GFCCVEGCSA-N 2 1 278.465 3.403 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1Cl ZINC000873244737 634297999 /nfs/dbraw/zinc/29/79/99/634297999.db2.gz JKIBKQZNAXKOKH-NEPJUHHUSA-N 2 1 281.831 3.164 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)SC)[C@H](C)C1 ZINC000876764741 634894853 /nfs/dbraw/zinc/89/48/53/634894853.db2.gz QTIZCCSJRQWYGO-KGLIPLIRSA-N 2 1 272.502 3.180 20 0 CGADMP COc1cccc(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000876947470 634934994 /nfs/dbraw/zinc/93/49/94/634934994.db2.gz ALAWCMDHXPJOCO-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877739545 635176118 /nfs/dbraw/zinc/17/61/18/635176118.db2.gz HEALIYNIIFIQKT-HZMVEIRTSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877739545 635176122 /nfs/dbraw/zinc/17/61/22/635176122.db2.gz HEALIYNIIFIQKT-HZMVEIRTSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877739545 635176127 /nfs/dbraw/zinc/17/61/27/635176127.db2.gz HEALIYNIIFIQKT-HZMVEIRTSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877739545 635176130 /nfs/dbraw/zinc/17/61/30/635176130.db2.gz HEALIYNIIFIQKT-HZMVEIRTSA-N 2 1 262.441 3.005 20 0 CGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCO[C@@H](C)C1 ZINC000877767164 635192946 /nfs/dbraw/zinc/19/29/46/635192946.db2.gz AWROVDDCTCUOMV-WMZOPIPTSA-N 2 1 296.499 3.101 20 0 CGADMP CO[C@](C)(C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)C1CC1 ZINC000877767360 635192973 /nfs/dbraw/zinc/19/29/73/635192973.db2.gz GBXCTPUZAKRDTP-GOSISDBHSA-N 2 1 296.499 3.101 20 0 CGADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)OC1 ZINC000878120474 635366853 /nfs/dbraw/zinc/36/68/53/635366853.db2.gz IOYHSLYDOJDSTO-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2CCCCCCC[NH3+])no1 ZINC000842471717 635376521 /nfs/dbraw/zinc/37/65/21/635376521.db2.gz VCAFQTQEVDBNMR-HNNXBMFYSA-N 2 1 265.401 3.029 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878159869 635384719 /nfs/dbraw/zinc/38/47/19/635384719.db2.gz YCWSPAKOZURKRE-CABCVRRESA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878159869 635384725 /nfs/dbraw/zinc/38/47/25/635384725.db2.gz YCWSPAKOZURKRE-CABCVRRESA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878159869 635384732 /nfs/dbraw/zinc/38/47/32/635384732.db2.gz YCWSPAKOZURKRE-CABCVRRESA-N 2 1 288.426 3.476 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000878257156 635435165 /nfs/dbraw/zinc/43/51/65/635435165.db2.gz FNCMZJCSQPPASD-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000878257156 635435172 /nfs/dbraw/zinc/43/51/72/635435172.db2.gz FNCMZJCSQPPASD-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000878257156 635435179 /nfs/dbraw/zinc/43/51/79/635435179.db2.gz FNCMZJCSQPPASD-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP CCc1cccc(F)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843054679 635551371 /nfs/dbraw/zinc/55/13/71/635551371.db2.gz AWHUXDCPRZDISM-UHFFFAOYSA-N 2 1 264.388 3.090 20 0 CGADMP C[N@@H+](C[C@H]1CCCC(C)(C)C1)C1CCC([NH3+])CC1 ZINC000843055457 635553783 /nfs/dbraw/zinc/55/37/83/635553783.db2.gz CKTJNHPJWFVEFI-NFOMZHRRSA-N 2 1 252.446 3.405 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1F ZINC000843062219 635554892 /nfs/dbraw/zinc/55/48/92/635554892.db2.gz NLBIULBIFOIFOO-LRDDRELGSA-N 2 1 280.362 3.101 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1F ZINC000843062219 635554898 /nfs/dbraw/zinc/55/48/98/635554898.db2.gz NLBIULBIFOIFOO-LRDDRELGSA-N 2 1 280.362 3.101 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125526 635561845 /nfs/dbraw/zinc/56/18/45/635561845.db2.gz XPDULKRDKSCMAI-RDJZCZTQSA-N 2 1 295.430 3.056 20 0 CGADMP FCc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878747428 635622006 /nfs/dbraw/zinc/62/20/06/635622006.db2.gz LZEOKIUDCDADDY-UHFFFAOYSA-N 2 1 299.393 3.263 20 0 CGADMP C[C@H]1CCC[C@H](CC[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000843355449 635652606 /nfs/dbraw/zinc/65/26/06/635652606.db2.gz POVJNYFUVNHUEG-QRNKSROTSA-N 2 1 252.446 3.405 20 0 CGADMP C[NH2+]CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000843359080 635653960 /nfs/dbraw/zinc/65/39/60/635653960.db2.gz GSDXTYJZDADWJU-LSDHHAIUSA-N 2 1 296.480 3.026 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749373 635852787 /nfs/dbraw/zinc/85/27/87/635852787.db2.gz HNNPTHJPRUHELH-QGZVFWFLSA-N 2 1 275.440 3.259 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749373 635852793 /nfs/dbraw/zinc/85/27/93/635852793.db2.gz HNNPTHJPRUHELH-QGZVFWFLSA-N 2 1 275.440 3.259 20 0 CGADMP C(C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC000880203656 635936801 /nfs/dbraw/zinc/93/68/01/635936801.db2.gz LRRJAEYOAPQNKZ-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC000880203656 635936806 /nfs/dbraw/zinc/93/68/06/635936806.db2.gz LRRJAEYOAPQNKZ-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000844902561 635980953 /nfs/dbraw/zinc/98/09/53/635980953.db2.gz QPKPOFWFDUGKSD-GXTWGEPZSA-N 2 1 281.469 3.216 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cnc1Cl ZINC000845995378 636127722 /nfs/dbraw/zinc/12/77/22/636127722.db2.gz CLHUEGSTXVQUNY-UHFFFAOYSA-N 2 1 283.847 3.111 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cnc1Cl ZINC000845995378 636127725 /nfs/dbraw/zinc/12/77/25/636127725.db2.gz CLHUEGSTXVQUNY-UHFFFAOYSA-N 2 1 283.847 3.111 20 0 CGADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCCCCC[NH3+])C1 ZINC000846219277 636161926 /nfs/dbraw/zinc/16/19/26/636161926.db2.gz MYFMJEGTMXXODK-KBPBESRZSA-N 2 1 258.475 3.112 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000846219444 636161998 /nfs/dbraw/zinc/16/19/98/636161998.db2.gz QXEKUEYSKJGRFM-MRXNPFEDSA-N 2 1 262.441 3.377 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCCCC[NH3+] ZINC000846219000 636162166 /nfs/dbraw/zinc/16/21/66/636162166.db2.gz BZXFOURQJWKJHJ-WBVHZDCISA-N 2 1 260.425 3.384 20 0 CGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCCCCC[NH3+] ZINC000846219497 636162544 /nfs/dbraw/zinc/16/25/44/636162544.db2.gz RTVRYHIGTZLHSR-LBPRGKRZSA-N 2 1 282.378 3.403 20 0 CGADMP Cc1ccccc1[C@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](C)CO1 ZINC000846219619 636162608 /nfs/dbraw/zinc/16/26/08/636162608.db2.gz UENCNYKXXQBQKF-FUHWJXTLSA-N 2 1 290.451 3.276 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883193105 636576956 /nfs/dbraw/zinc/57/69/56/636576956.db2.gz OVAVSYDXWFIWDO-HNNXBMFYSA-N 2 1 261.413 3.284 20 0 CGADMP C[N@@H+](CCCc1c(F)cccc1F)C1CCC([NH3+])CC1 ZINC000848600162 636618025 /nfs/dbraw/zinc/61/80/25/636618025.db2.gz ZJNALKFTVDSDOM-UHFFFAOYSA-N 2 1 282.378 3.099 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CC3CC3)CC2)CC1(C)C ZINC000883248381 636618692 /nfs/dbraw/zinc/61/86/92/636618692.db2.gz RBCRBVKNGQZKJJ-AWEZNQCLSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H]2CCC[C@@H]21 ZINC000883321985 636674160 /nfs/dbraw/zinc/67/41/60/636674160.db2.gz RJNLZJJYBJKWNE-JNNCMOEMSA-N 2 1 262.441 3.028 20 0 CGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCn2cc[nH+]c2C)cc1 ZINC000849000120 636710154 /nfs/dbraw/zinc/71/01/54/636710154.db2.gz PBZISBNTAXQNCP-ZDUSSCGKSA-N 2 1 299.422 3.341 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)O1 ZINC000883435086 636754491 /nfs/dbraw/zinc/75/44/91/636754491.db2.gz KGFRUDGBMKPUSS-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1nsc2ccccc21 ZINC000883441261 636758817 /nfs/dbraw/zinc/75/88/17/636758817.db2.gz KMWKPHGNXVKKNJ-UHFFFAOYSA-N 2 1 277.437 3.247 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000850528517 637106357 /nfs/dbraw/zinc/10/63/57/637106357.db2.gz IOVPAGQORKBLMQ-IAGOWNOFSA-N 2 1 288.435 3.017 20 0 CGADMP Cc1coc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000886059317 637394196 /nfs/dbraw/zinc/39/41/96/637394196.db2.gz AEJBTJHWYFRWRH-LSDHHAIUSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1coc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000886059317 637394200 /nfs/dbraw/zinc/39/42/00/637394200.db2.gz AEJBTJHWYFRWRH-LSDHHAIUSA-N 2 1 276.424 3.331 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCc2cccnc21)C(C)(C)C ZINC000886528180 637554317 /nfs/dbraw/zinc/55/43/17/637554317.db2.gz IHFAMYNVSPGSQV-CABCVRRESA-N 2 1 275.440 3.025 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CCO[C@@H](C)C3)CC2)[nH+]c1C ZINC000886662440 637639922 /nfs/dbraw/zinc/63/99/22/637639922.db2.gz DNBHKQPJHWBCQK-SWLSCSKDSA-N 2 1 291.439 3.021 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCCOC(C)(C)C)CC2)[nH+]c1C ZINC000886666710 637641682 /nfs/dbraw/zinc/64/16/82/637641682.db2.gz YOKPVBUPLLWEHB-UHFFFAOYSA-N 2 1 293.455 3.411 20 0 CGADMP C[N@@H+](CCc1ccccc1F)Cc1cccc2c1CC[NH2+]C2 ZINC000852744647 637703470 /nfs/dbraw/zinc/70/34/70/637703470.db2.gz GAGUULBSRPHIMX-UHFFFAOYSA-N 2 1 298.405 3.146 20 0 CGADMP CC1(C)C[C@@H](C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000886876141 637715601 /nfs/dbraw/zinc/71/56/01/637715601.db2.gz OAWXTIUWZKLSHN-MAUKXSAKSA-N 2 1 294.483 3.046 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)SC ZINC000300409109 637837679 /nfs/dbraw/zinc/83/76/79/637837679.db2.gz ZKXWDIYJIDYGMM-KGLIPLIRSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000924666645 638385901 /nfs/dbraw/zinc/38/59/01/638385901.db2.gz CGDKHRJGNXXKNO-MHAAMQRSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@H+]1CCC[C@@H](C)C1 ZINC000924666645 638385910 /nfs/dbraw/zinc/38/59/10/638385910.db2.gz CGDKHRJGNXXKNO-MHAAMQRSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1CC2(CC([NH2+]CCCC[N@H+]3CCC[C@@H](C)C3)C2)CO1 ZINC000924683529 638388610 /nfs/dbraw/zinc/38/86/10/638388610.db2.gz AFKWRQGSOHZYLQ-VEZWFGLTSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)C1 ZINC000924962038 638432454 /nfs/dbraw/zinc/43/24/54/638432454.db2.gz YEXRLESAOGMRGN-XUWVNRHRSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccns1 ZINC000925085477 638448905 /nfs/dbraw/zinc/44/89/05/638448905.db2.gz HRWUVCJVOUYTLT-YPMHNXCESA-N 2 1 269.458 3.160 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCC(F)(F)F)c1ccccc1 ZINC000925604297 638542845 /nfs/dbraw/zinc/54/28/45/638542845.db2.gz IVRRZRYIGVWAGP-CMPLNLGQSA-N 2 1 260.303 3.007 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1 ZINC000925652269 638558422 /nfs/dbraw/zinc/55/84/22/638558422.db2.gz PGBONXOSIATVMP-XJKSGUPXSA-N 2 1 258.409 3.387 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925711511 638575960 /nfs/dbraw/zinc/57/59/60/638575960.db2.gz NPLYIJOLLJRIOH-BBWFWOEESA-N 2 1 270.420 3.115 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857901275 638597662 /nfs/dbraw/zinc/59/76/62/638597662.db2.gz KAUMFEDVQPLVFO-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857901275 638597663 /nfs/dbraw/zinc/59/76/63/638597663.db2.gz KAUMFEDVQPLVFO-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CCc1ccc([C@H](C)[NH+]2CCC([NH3+])(CC)CC2)o1 ZINC000925756903 638599212 /nfs/dbraw/zinc/59/92/12/638599212.db2.gz PQNWDNDDYKLHOT-LBPRGKRZSA-N 2 1 250.386 3.106 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000925757665 638599267 /nfs/dbraw/zinc/59/92/67/638599267.db2.gz VNLUOKQXDHZKAR-ZDUSSCGKSA-N 2 1 293.430 3.156 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH+]2CCC([NH3+])(CC)CC2)s1 ZINC000925757264 638599458 /nfs/dbraw/zinc/59/94/58/638599458.db2.gz SOEODGJHIVSCKZ-LBPRGKRZSA-N 2 1 281.469 3.278 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2ccc(Cl)nc21)C1CC1 ZINC000857914593 638603331 /nfs/dbraw/zinc/60/33/31/638603331.db2.gz WJZPFHBNIXGQJY-CQSZACIVSA-N 2 1 293.842 3.186 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775539 638608967 /nfs/dbraw/zinc/60/89/67/638608967.db2.gz GZDIHHNSFGFKBS-RYUDHWBXSA-N 2 1 286.341 3.030 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc2ccccc2[nH]1 ZINC000925805419 638618345 /nfs/dbraw/zinc/61/83/45/638618345.db2.gz IKRJEUUJDNCVAQ-GXTWGEPZSA-N 2 1 280.375 3.030 20 0 CGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)cc1F ZINC000925839719 638628262 /nfs/dbraw/zinc/62/82/62/638628262.db2.gz CRUUFJUPVAMCCW-HFBAOOFYSA-N 2 1 280.362 3.148 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(C)o1 ZINC000925839393 638628648 /nfs/dbraw/zinc/62/86/48/638628648.db2.gz BKNFEWHJBUUCEU-DAXOMENPSA-N 2 1 262.397 3.079 20 0 CGADMP C[N@@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)CC1(C)C ZINC000858419879 638710838 /nfs/dbraw/zinc/71/08/38/638710838.db2.gz GBOSLHJCLCDKCH-OAHLLOKOSA-N 2 1 273.424 3.245 20 0 CGADMP C[N@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)CC1(C)C ZINC000858419879 638710843 /nfs/dbraw/zinc/71/08/43/638710843.db2.gz GBOSLHJCLCDKCH-OAHLLOKOSA-N 2 1 273.424 3.245 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000926203588 638739297 /nfs/dbraw/zinc/73/92/97/638739297.db2.gz MVNRWTLIMIQNSG-CZUORRHYSA-N 2 1 261.413 3.077 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000858490620 638741231 /nfs/dbraw/zinc/74/12/31/638741231.db2.gz KXHIQIGDOJMWIJ-LSDHHAIUSA-N 2 1 288.435 3.004 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(F)F)C[C@@H]1C ZINC000929781880 638950933 /nfs/dbraw/zinc/95/09/33/638950933.db2.gz SDUJNYGSKUYFEE-QWHCGFSZSA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)(F)F)C[C@@H]1C ZINC000929781880 638950935 /nfs/dbraw/zinc/95/09/35/638950935.db2.gz SDUJNYGSKUYFEE-QWHCGFSZSA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)(F)F)C[C@@H]1C ZINC000929781880 638950937 /nfs/dbraw/zinc/95/09/37/638950937.db2.gz SDUJNYGSKUYFEE-QWHCGFSZSA-N 2 1 262.388 3.226 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2=CCCC2)cc1 ZINC000859212412 639110489 /nfs/dbraw/zinc/11/04/89/639110489.db2.gz JGGYLPJESJWDFQ-UHFFFAOYSA-N 2 1 258.409 3.290 20 0 CGADMP CCSc1ccccc1CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931545445 639168266 /nfs/dbraw/zinc/16/82/66/639168266.db2.gz DWOMEPDXANFDMQ-GOEBONIOSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000931545445 639168269 /nfs/dbraw/zinc/16/82/69/639168269.db2.gz DWOMEPDXANFDMQ-GOEBONIOSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000931545445 639168274 /nfs/dbraw/zinc/16/82/74/639168274.db2.gz DWOMEPDXANFDMQ-GOEBONIOSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931545445 639168277 /nfs/dbraw/zinc/16/82/77/639168277.db2.gz DWOMEPDXANFDMQ-GOEBONIOSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931545445 639168287 /nfs/dbraw/zinc/16/82/87/639168287.db2.gz DWOMEPDXANFDMQ-GOEBONIOSA-N 2 1 290.476 3.325 20 0 CGADMP Cc1nnsc1[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704353 639193241 /nfs/dbraw/zinc/19/32/41/639193241.db2.gz VADNGSMBMNNQJW-CQSZACIVSA-N 2 1 296.484 3.105 20 0 CGADMP Cc1nnsc1[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704353 639193243 /nfs/dbraw/zinc/19/32/43/639193243.db2.gz VADNGSMBMNNQJW-CQSZACIVSA-N 2 1 296.484 3.105 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253191746 640874326 /nfs/dbraw/zinc/87/43/26/640874326.db2.gz MNBFTEZNVQLQNR-MBNYWOFBSA-N 2 1 298.377 3.266 20 0 CGADMP CCCc1cc(N2CCC([NH+](CC)CC)CC2)nc(C)[nH+]1 ZINC001165054113 722004391 /nfs/dbraw/zinc/00/43/91/722004391.db2.gz ZOPKOTJGBQBFNI-UHFFFAOYSA-N 2 1 290.455 3.048 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C(C)(C)c2ccnc(Cl)c2)C1 ZINC001156386575 805682808 /nfs/dbraw/zinc/68/28/08/805682808.db2.gz YFXJWHMUPPUAHL-ZDUSSCGKSA-N 2 1 295.858 3.292 20 0 CGADMP Cc1cc2[nH]ccc2c(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001156389812 805683048 /nfs/dbraw/zinc/68/30/48/805683048.db2.gz SPPPYIXHUPPVPQ-ZDUSSCGKSA-N 2 1 272.396 3.015 20 0 CGADMP COc1ccc2c(C)cc(NC3(C)CC[NH2+]CC3)[nH+]c2c1 ZINC001157401475 805806875 /nfs/dbraw/zinc/80/68/75/805806875.db2.gz JHXULSVAQAZXAQ-UHFFFAOYSA-N 2 1 285.391 3.106 20 0 CGADMP Cc1c[nH+]c(N2CCC(C)([NH+]3CCCC3)CC2)c(C)c1 ZINC001157658054 805845695 /nfs/dbraw/zinc/84/56/95/805845695.db2.gz YLNMMOFRGICYKP-UHFFFAOYSA-N 2 1 273.424 3.153 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc(N(C)C)[nH+]1 ZINC001158730392 805990504 /nfs/dbraw/zinc/99/05/04/805990504.db2.gz SSVVNQLWNPQZBY-OAHLLOKOSA-N 2 1 296.418 3.388 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001253403518 806215639 /nfs/dbraw/zinc/21/56/39/806215639.db2.gz FQPVQWLVFDRAEA-GJZGRUSLSA-N 2 1 298.858 3.130 20 0 CGADMP COc1ccc2ccnc(NCC[C@H]3CCC[N@H+]3C)c2c1 ZINC001160971240 806331307 /nfs/dbraw/zinc/33/13/07/806331307.db2.gz ZQKMZVMHOGOTMP-CQSZACIVSA-N 2 1 285.391 3.140 20 0 CGADMP COc1ccc2cc[nH+]c(NCC[C@H]3CCC[N@@H+]3C)c2c1 ZINC001160971240 806331315 /nfs/dbraw/zinc/33/13/15/806331315.db2.gz ZQKMZVMHOGOTMP-CQSZACIVSA-N 2 1 285.391 3.140 20 0 CGADMP COc1ccc2cc[nH+]c(NCC[C@H]3CCC[N@H+]3C)c2c1 ZINC001160971240 806331323 /nfs/dbraw/zinc/33/13/23/806331323.db2.gz ZQKMZVMHOGOTMP-CQSZACIVSA-N 2 1 285.391 3.140 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC001254500114 806420710 /nfs/dbraw/zinc/42/07/10/806420710.db2.gz FLGGGLYTUSHCKI-CVEARBPZSA-N 2 1 264.388 3.351 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254506433 806424809 /nfs/dbraw/zinc/42/48/09/806424809.db2.gz SAJKZAZZADUMDK-DOTOQJQBSA-N 2 1 258.409 3.056 20 0 CGADMP Cc1cccc(C(C)(C)[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC001254507588 806427359 /nfs/dbraw/zinc/42/73/59/806427359.db2.gz CNPLVNLMFQQSCO-INIZCTEOSA-N 2 1 260.425 3.304 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2csc3ccccc23)CC1 ZINC001254507755 806427469 /nfs/dbraw/zinc/42/74/69/806427469.db2.gz CZAGIIWLEGAZER-AWEZNQCLSA-N 2 1 274.433 3.475 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254509263 806428453 /nfs/dbraw/zinc/42/84/53/806428453.db2.gz XPSBXHNUBREXIM-GDBMZVCRSA-N 2 1 276.424 3.220 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(CC3CCC3)CC2)CC1 ZINC001254510780 806430763 /nfs/dbraw/zinc/43/07/63/806430763.db2.gz QKZRKYIHWAXFMR-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC001254511137 806431452 /nfs/dbraw/zinc/43/14/52/806431452.db2.gz WSWKEJDMIYXZPK-AWEZNQCLSA-N 2 1 276.399 3.279 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC001254511137 806431456 /nfs/dbraw/zinc/43/14/56/806431456.db2.gz WSWKEJDMIYXZPK-AWEZNQCLSA-N 2 1 276.399 3.279 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001254510981 806431512 /nfs/dbraw/zinc/43/15/12/806431512.db2.gz SQZDUPYZIXZZQD-KRWDZBQOSA-N 2 1 290.426 3.365 20 0 CGADMP C[NH+](C)CCCCNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001161728702 806438184 /nfs/dbraw/zinc/43/81/84/806438184.db2.gz QLMBGCKAQQTWFN-UHFFFAOYSA-N 2 1 286.423 3.195 20 0 CGADMP C[NH+](C)CCCC[NH2+]c1cc2c3c(c1)CCCN3CCC2 ZINC001161730491 806438251 /nfs/dbraw/zinc/43/82/51/806438251.db2.gz GBLIMFIUURTGRE-UHFFFAOYSA-N 2 1 287.451 3.139 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001254523606 806438288 /nfs/dbraw/zinc/43/82/88/806438288.db2.gz PWKBKWKXFTWLRD-MRXNPFEDSA-N 2 1 290.426 3.489 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525465 806439003 /nfs/dbraw/zinc/43/90/03/806439003.db2.gz JHDAQFNRNMGISC-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525465 806439009 /nfs/dbraw/zinc/43/90/09/806439009.db2.gz JHDAQFNRNMGISC-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525465 806439014 /nfs/dbraw/zinc/43/90/14/806439014.db2.gz JHDAQFNRNMGISC-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524616 806439468 /nfs/dbraw/zinc/43/94/68/806439468.db2.gz XXJZKVNRSKWOTB-AEFFLSMTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524616 806439473 /nfs/dbraw/zinc/43/94/73/806439473.db2.gz XXJZKVNRSKWOTB-AEFFLSMTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524616 806439478 /nfs/dbraw/zinc/43/94/78/806439478.db2.gz XXJZKVNRSKWOTB-AEFFLSMTSA-N 2 1 288.435 3.014 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522394 806440542 /nfs/dbraw/zinc/44/05/42/806440542.db2.gz FQUVCICXJXXQOG-WMLDXEAASA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522394 806440545 /nfs/dbraw/zinc/44/05/45/806440545.db2.gz FQUVCICXJXXQOG-WMLDXEAASA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522394 806440553 /nfs/dbraw/zinc/44/05/53/806440553.db2.gz FQUVCICXJXXQOG-WMLDXEAASA-N 2 1 276.399 3.447 20 0 CGADMP C[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCC[NH+](C)CC1 ZINC001254531125 806445232 /nfs/dbraw/zinc/44/52/32/806445232.db2.gz DRHCUAJVENVLOF-NVXWUHKLSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+]([C@@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531125 806445236 /nfs/dbraw/zinc/44/52/36/806445236.db2.gz DRHCUAJVENVLOF-NVXWUHKLSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+]([C@@H]1CCc2ccccc21)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531125 806445239 /nfs/dbraw/zinc/44/52/39/806445239.db2.gz DRHCUAJVENVLOF-NVXWUHKLSA-N 2 1 258.409 3.090 20 0 CGADMP FC(F)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001161813546 806461582 /nfs/dbraw/zinc/46/15/82/806461582.db2.gz LQQRFOMJCWZPQI-LBPRGKRZSA-N 2 1 294.349 3.028 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001254910398 806505212 /nfs/dbraw/zinc/50/52/12/806505212.db2.gz IUPSDXBSZYPNAJ-GVDBMIGSSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2cc(F)ccc21 ZINC001162453350 806587519 /nfs/dbraw/zinc/58/75/19/806587519.db2.gz JRTNDBHWHGLWDJ-JSGCOSHPSA-N 2 1 287.382 3.422 20 0 CGADMP CCCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001255328771 806615400 /nfs/dbraw/zinc/61/54/00/806615400.db2.gz DHQQZROQIVMIQI-OAHLLOKOSA-N 2 1 282.472 3.140 20 0 CGADMP Cn1cccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377640 806628608 /nfs/dbraw/zinc/62/86/08/806628608.db2.gz GZAFAUDCWXCOOB-GOSISDBHSA-N 2 1 297.446 3.169 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC001255377586 806628756 /nfs/dbraw/zinc/62/87/56/806628756.db2.gz GVGHBWKIQVLINA-MAUKXSAKSA-N 2 1 272.436 3.429 20 0 CGADMP CC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388299 806629809 /nfs/dbraw/zinc/62/98/09/806629809.db2.gz YGPZGHOQZOFWSM-NVXWUHKLSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@H]([NH3+])c1ccn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255393559 806633873 /nfs/dbraw/zinc/63/38/73/806633873.db2.gz OVIDAOGQIBUVCL-DOTOQJQBSA-N 2 1 298.434 3.130 20 0 CGADMP CC1(C)C[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255536438 806668422 /nfs/dbraw/zinc/66/84/22/806668422.db2.gz JFCISZVMJKJDDW-XIRDDKMYSA-N 2 1 294.483 3.459 20 0 CGADMP COC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255565011 806675684 /nfs/dbraw/zinc/67/56/84/806675684.db2.gz JJNRLDDVBSOKDD-KBAYOESNSA-N 2 1 290.451 3.102 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000037643752 798871267 /nfs/dbraw/zinc/87/12/67/798871267.db2.gz BMNXXKGHRDELLI-LBPRGKRZSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@H+](CCC[NH2+]Cc1cccc(O)c1)C1CCCCC1 ZINC000037860288 798877093 /nfs/dbraw/zinc/87/70/93/798877093.db2.gz VCDWGFWVPQBVLA-UHFFFAOYSA-N 2 1 276.424 3.136 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1cccc(O)c1)C1CCCCC1 ZINC000037860288 798877099 /nfs/dbraw/zinc/87/70/99/798877099.db2.gz VCDWGFWVPQBVLA-UHFFFAOYSA-N 2 1 276.424 3.136 20 0 CGADMP Cc1cccc(CC[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001255681100 806704461 /nfs/dbraw/zinc/70/44/61/806704461.db2.gz LZSHUPCLOORVNQ-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001255681100 806704467 /nfs/dbraw/zinc/70/44/67/806704467.db2.gz LZSHUPCLOORVNQ-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001255681100 806704474 /nfs/dbraw/zinc/70/44/74/806704474.db2.gz LZSHUPCLOORVNQ-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255681100 806704478 /nfs/dbraw/zinc/70/44/78/806704478.db2.gz LZSHUPCLOORVNQ-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163415685 799082057 /nfs/dbraw/zinc/08/20/57/799082057.db2.gz NHGNWUOSXAAMCH-YOEHRIQHSA-N 2 1 260.425 3.227 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255714278 806714989 /nfs/dbraw/zinc/71/49/89/806714989.db2.gz RMOZTUSBTXQEEF-UONOGXRCSA-N 2 1 292.389 3.381 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC000300248881 799203783 /nfs/dbraw/zinc/20/37/83/799203783.db2.gz WECDYKVYIHFLPF-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC000300248881 799203788 /nfs/dbraw/zinc/20/37/88/799203788.db2.gz WECDYKVYIHFLPF-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000309544137 799219070 /nfs/dbraw/zinc/21/90/70/799219070.db2.gz NUIZRHLNULIJKT-MRXNPFEDSA-N 2 1 298.430 3.465 20 0 CGADMP Cc1cc(NCCC[N@@H+]2CCCC[C@H]2C)cc(C)[nH+]1 ZINC000311442885 799224818 /nfs/dbraw/zinc/22/48/18/799224818.db2.gz JLRPFRFOPYCJGK-OAHLLOKOSA-N 2 1 261.413 3.375 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC000380823259 799367987 /nfs/dbraw/zinc/36/79/87/799367987.db2.gz QIYFFRGUXCTRPK-MRXNPFEDSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380956354 799369721 /nfs/dbraw/zinc/36/97/21/799369721.db2.gz UVMVYVAMLRNFMB-NXHRZFHOSA-N 2 1 272.436 3.287 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000382510055 799396134 /nfs/dbraw/zinc/39/61/34/799396134.db2.gz QXGOCIZYIJGUPC-OAHLLOKOSA-N 2 1 258.409 3.125 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](Nc2ccc3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC001163362380 806747636 /nfs/dbraw/zinc/74/76/36/806747636.db2.gz MZAFFSOOUKKTNY-GOEBONIOSA-N 2 1 287.451 3.491 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2ccc3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC001163362380 806747640 /nfs/dbraw/zinc/74/76/40/806747640.db2.gz MZAFFSOOUKKTNY-GOEBONIOSA-N 2 1 287.451 3.491 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC001255791192 806753370 /nfs/dbraw/zinc/75/33/70/806753370.db2.gz BADMBOHMVWFCAT-INIZCTEOSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC001255791192 806753375 /nfs/dbraw/zinc/75/33/75/806753375.db2.gz BADMBOHMVWFCAT-INIZCTEOSA-N 2 1 274.452 3.342 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC001255829338 806759562 /nfs/dbraw/zinc/75/95/62/806759562.db2.gz HZFXWEBYEXHDSE-HNNXBMFYSA-N 2 1 280.431 3.468 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC001255829338 806759566 /nfs/dbraw/zinc/75/95/66/806759566.db2.gz HZFXWEBYEXHDSE-HNNXBMFYSA-N 2 1 280.431 3.468 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000423364763 799598693 /nfs/dbraw/zinc/59/86/93/799598693.db2.gz JWXYIHJTSDCIQU-WMLDXEAASA-N 2 1 260.425 3.115 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001255874923 806778425 /nfs/dbraw/zinc/77/84/25/806778425.db2.gz DSQHXUDOCKZYDG-HNNXBMFYSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000705220169 799945565 /nfs/dbraw/zinc/94/55/65/799945565.db2.gz XNZVSGDJSNMUCQ-KBAYOESNSA-N 2 1 272.436 3.144 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1 ZINC001255947838 806793878 /nfs/dbraw/zinc/79/38/78/806793878.db2.gz XHEIGSNABWLLCP-CZUORRHYSA-N 2 1 298.858 3.083 20 0 CGADMP C1C[N@H+]([C@H]2CCC[NH2+]CC2)C[C@H]1C1CCCCC1 ZINC000708837741 799996118 /nfs/dbraw/zinc/99/61/18/799996118.db2.gz QILYVBUSGVMSKR-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC001255949223 806794187 /nfs/dbraw/zinc/79/41/87/806794187.db2.gz VHQKDFIPJKRPFH-SUMWQHHRSA-N 2 1 276.424 3.090 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853811 799997892 /nfs/dbraw/zinc/99/78/92/799997892.db2.gz IOAYJVXCKHYXMS-NTZNESFSSA-N 2 1 286.341 3.293 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC001255947809 806794222 /nfs/dbraw/zinc/79/42/22/806794222.db2.gz WXHVFODOYTUXSK-ZBFHGGJFSA-N 2 1 275.440 3.169 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc2ccccc2o1 ZINC000710760850 800038116 /nfs/dbraw/zinc/03/81/16/800038116.db2.gz SVFXZPMQRJSFEN-UHFFFAOYSA-N 2 1 260.381 3.384 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC000714753694 800128347 /nfs/dbraw/zinc/12/83/47/800128347.db2.gz NTYGSGXFPPTZFA-UHFFFAOYSA-N 2 1 276.424 3.177 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@@H]1C(F)(F)F ZINC000720858252 800269192 /nfs/dbraw/zinc/26/91/92/800269192.db2.gz SXJGQYQVLCRFPO-OLZOCXBDSA-N 2 1 278.362 3.026 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CC[NH3+] ZINC000723891759 800343924 /nfs/dbraw/zinc/34/39/24/800343924.db2.gz QYTHOIUOYIPYOR-DGCLKSJQSA-N 2 1 286.341 3.122 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cccc3sccc32)CC1 ZINC001256200292 806846797 /nfs/dbraw/zinc/84/67/97/806846797.db2.gz OPNRDOYJUSCZCM-UHFFFAOYSA-N 2 1 260.406 3.085 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001256196513 806847559 /nfs/dbraw/zinc/84/75/59/806847559.db2.gz QCLPRZAZVMKFDV-UHFFFAOYSA-N 2 1 286.341 3.198 20 0 CGADMP CN1CCC([N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC1 ZINC001256207251 806849131 /nfs/dbraw/zinc/84/91/31/806849131.db2.gz FGHJDZHYTFTKHV-CYBMUJFWSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC(N2CC[C@@H](c3ccccc3Cl)C2)CC1 ZINC001256207251 806849140 /nfs/dbraw/zinc/84/91/40/806849140.db2.gz FGHJDZHYTFTKHV-CYBMUJFWSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1[nH+]ccn1CCNc1cccc(N2CCCC[C@H]2C)[nH+]1 ZINC001163920082 806851051 /nfs/dbraw/zinc/85/10/51/806851051.db2.gz QTJVBFSDTCHHQQ-CQSZACIVSA-N 2 1 299.422 3.077 20 0 CGADMP CC(C)CC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001256370514 806871816 /nfs/dbraw/zinc/87/18/16/806871816.db2.gz APYQDSIEDGNYKY-CQSZACIVSA-N 2 1 252.446 3.370 20 0 CGADMP CC1=Cc2cccc(NCC3([NH+](C)C)CC[NH+](C)CC3)c2C1 ZINC001164212945 806917188 /nfs/dbraw/zinc/91/71/88/806917188.db2.gz KUVPMYUTZOIHIK-UHFFFAOYSA-N 2 1 299.462 3.084 20 0 CGADMP C[C@H]1C[N@@H+](C2CC[NH+](C(C)(C)C)CC2)CCC1(F)F ZINC001256569695 806919824 /nfs/dbraw/zinc/91/98/24/806919824.db2.gz NPGKUXZDHBMDDR-LBPRGKRZSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[N@H+](C2CC[NH+](C(C)(C)C)CC2)CCC1(F)F ZINC001256569695 806919829 /nfs/dbraw/zinc/91/98/29/806919829.db2.gz NPGKUXZDHBMDDR-LBPRGKRZSA-N 2 1 274.399 3.226 20 0 CGADMP CC[N@@H+](C(C)C)C1CCN(Cc2ccccc2)CC1 ZINC001256604846 806923246 /nfs/dbraw/zinc/92/32/46/806923246.db2.gz XYIICRKWWYLGNR-UHFFFAOYSA-N 2 1 260.425 3.381 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccncc2)CC1 ZINC001256752748 806971841 /nfs/dbraw/zinc/97/18/41/806971841.db2.gz FHDYQPKDOQVAEU-INIZCTEOSA-N 2 1 289.467 3.209 20 0 CGADMP c1cc(CCC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)ccn1 ZINC001256899903 807001692 /nfs/dbraw/zinc/00/16/92/807001692.db2.gz XFVPJTGESBQXBC-KRWDZBQOSA-N 2 1 287.451 3.011 20 0 CGADMP c1cc(CCC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)ccn1 ZINC001256899903 807001699 /nfs/dbraw/zinc/00/16/99/807001699.db2.gz XFVPJTGESBQXBC-KRWDZBQOSA-N 2 1 287.451 3.011 20 0 CGADMP [NH3+]Cc1cccc2cnn([C@H]3CCC[N@H+](C4CCCC4)C3)c21 ZINC001256903163 807005682 /nfs/dbraw/zinc/00/56/82/807005682.db2.gz YRAQRTZAXSBKPS-KRWDZBQOSA-N 2 1 298.434 3.075 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001201523362 811881660 /nfs/dbraw/zinc/88/16/60/811881660.db2.gz INSALDPFCHSEDE-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CCC(CC)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201523362 811881666 /nfs/dbraw/zinc/88/16/66/811881666.db2.gz INSALDPFCHSEDE-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201523362 811881674 /nfs/dbraw/zinc/88/16/74/811881674.db2.gz INSALDPFCHSEDE-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CCC(CC)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201523362 811881685 /nfs/dbraw/zinc/88/16/85/811881685.db2.gz INSALDPFCHSEDE-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CCC(CC)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201523362 811881693 /nfs/dbraw/zinc/88/16/93/811881693.db2.gz INSALDPFCHSEDE-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243949164 803094598 /nfs/dbraw/zinc/09/45/98/803094598.db2.gz SIAPCIPUNUIZBF-CQSZACIVSA-N 2 1 271.408 3.180 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243949164 803094603 /nfs/dbraw/zinc/09/46/03/803094603.db2.gz SIAPCIPUNUIZBF-CQSZACIVSA-N 2 1 271.408 3.180 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206809391 813443776 /nfs/dbraw/zinc/44/37/76/813443776.db2.gz LOYKOFNFAYSEAS-HUUCEWRRSA-N 2 1 260.425 3.117 20 0 CGADMP C[C@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC1(F)F ZINC001208184134 813735341 /nfs/dbraw/zinc/73/53/41/813735341.db2.gz JWWIIXFDUZOTHX-AWEZNQCLSA-N 2 1 288.426 3.476 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)CC2CCCC2)CCCC1 ZINC001208185594 813736031 /nfs/dbraw/zinc/73/60/31/813736031.db2.gz GKHGDORCIKYNLI-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP Oc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(Cl)c1 ZINC001245083348 803637443 /nfs/dbraw/zinc/63/74/43/803637443.db2.gz LQWNSXKJRIKDEZ-UHFFFAOYSA-N 2 1 299.761 3.047 20 0 CGADMP Cc1csc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1Cl ZINC001137292552 803710610 /nfs/dbraw/zinc/71/06/10/803710610.db2.gz FPOCJNDYPUOPFP-AWEZNQCLSA-N 2 1 284.856 3.238 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2ncccc12 ZINC001137631771 803747803 /nfs/dbraw/zinc/74/78/03/803747803.db2.gz AZSRQCWYJFSGAK-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137682368 803756862 /nfs/dbraw/zinc/75/68/62/803756862.db2.gz JAVFTSVBPCLQCY-CABCVRRESA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137682368 803756867 /nfs/dbraw/zinc/75/68/67/803756867.db2.gz JAVFTSVBPCLQCY-CABCVRRESA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137682368 803756873 /nfs/dbraw/zinc/75/68/73/803756873.db2.gz JAVFTSVBPCLQCY-CABCVRRESA-N 2 1 286.444 3.285 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137687846 803759319 /nfs/dbraw/zinc/75/93/19/803759319.db2.gz FWZGBFMPUOLWTG-GJZGRUSLSA-N 2 1 286.444 3.285 20 0 CGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccncc2C[NH3+])nc1 ZINC001245556715 803812199 /nfs/dbraw/zinc/81/21/99/803812199.db2.gz CJESYKQKVZASBC-GOSISDBHSA-N 2 1 296.418 3.149 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062698 803846164 /nfs/dbraw/zinc/84/61/64/803846164.db2.gz WSWXDDJJZNXTRS-MAUKXSAKSA-N 2 1 296.414 3.071 20 0 CGADMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062698 803846172 /nfs/dbraw/zinc/84/61/72/803846172.db2.gz WSWXDDJJZNXTRS-MAUKXSAKSA-N 2 1 296.414 3.071 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062698 803846182 /nfs/dbraw/zinc/84/61/82/803846182.db2.gz WSWXDDJJZNXTRS-MAUKXSAKSA-N 2 1 296.414 3.071 20 0 CGADMP Cc1ccc2[nH]c(CN3CC[C@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001138418493 803926246 /nfs/dbraw/zinc/92/62/46/803926246.db2.gz VBZBAXXUSVTINI-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC001138418493 803926252 /nfs/dbraw/zinc/92/62/52/803926252.db2.gz VBZBAXXUSVTINI-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001138418493 803926259 /nfs/dbraw/zinc/92/62/59/803926259.db2.gz VBZBAXXUSVTINI-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001138418493 803926261 /nfs/dbraw/zinc/92/62/61/803926261.db2.gz VBZBAXXUSVTINI-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001138418493 803926265 /nfs/dbraw/zinc/92/62/65/803926265.db2.gz VBZBAXXUSVTINI-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)cc1 ZINC001138543372 803965269 /nfs/dbraw/zinc/96/52/69/803965269.db2.gz MUTKYQWMSAGTJA-IUODEOHRSA-N 2 1 273.355 3.113 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)cc1 ZINC001138543372 803965275 /nfs/dbraw/zinc/96/52/75/803965275.db2.gz MUTKYQWMSAGTJA-IUODEOHRSA-N 2 1 273.355 3.113 20 0 CGADMP Cc1cccc(Cl)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001138721353 804018202 /nfs/dbraw/zinc/01/82/02/804018202.db2.gz QGBCGXVIGUMGQH-KGLIPLIRSA-N 2 1 278.827 3.032 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001138721353 804018210 /nfs/dbraw/zinc/01/82/10/804018210.db2.gz QGBCGXVIGUMGQH-KGLIPLIRSA-N 2 1 278.827 3.032 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001138721353 804018213 /nfs/dbraw/zinc/01/82/13/804018213.db2.gz QGBCGXVIGUMGQH-KGLIPLIRSA-N 2 1 278.827 3.032 20 0 CGADMP COc1cc(C)c(C[N@H+](C)CCC[NH+](C)C)c(C)c1C ZINC001138723333 804020263 /nfs/dbraw/zinc/02/02/63/804020263.db2.gz OLEYOXIPRMJBLO-UHFFFAOYSA-N 2 1 278.440 3.004 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)CCC[NH+](C)C)c(C)c1C ZINC001138723333 804020271 /nfs/dbraw/zinc/02/02/71/804020271.db2.gz OLEYOXIPRMJBLO-UHFFFAOYSA-N 2 1 278.440 3.004 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1 ZINC001138773048 804035594 /nfs/dbraw/zinc/03/55/94/804035594.db2.gz NGYHWSWLZFTSNZ-MRXNPFEDSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC001246070520 804108095 /nfs/dbraw/zinc/10/80/95/804108095.db2.gz CEAJIYUTNGVLFJ-ZFWWWQNUSA-N 2 1 264.388 3.082 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246077239 804116421 /nfs/dbraw/zinc/11/64/21/804116421.db2.gz QYPGZXXFVVKCEE-HUUCEWRRSA-N 2 1 278.827 3.449 20 0 CGADMP C[C@]1([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC001246092378 804123883 /nfs/dbraw/zinc/12/38/83/804123883.db2.gz BQZHNHLGDWDGPH-IKGGRYGDSA-N 2 1 258.409 3.054 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc21 ZINC001139121704 804132838 /nfs/dbraw/zinc/13/28/38/804132838.db2.gz NQFPQCWZWOYMSW-MSOLQXFVSA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2ccc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cc21 ZINC001139121704 804132841 /nfs/dbraw/zinc/13/28/41/804132841.db2.gz NQFPQCWZWOYMSW-MSOLQXFVSA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2ccc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cc21 ZINC001139121704 804132846 /nfs/dbraw/zinc/13/28/46/804132846.db2.gz NQFPQCWZWOYMSW-MSOLQXFVSA-N 2 1 297.446 3.045 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246112072 804142665 /nfs/dbraw/zinc/14/26/65/804142665.db2.gz KKPXAGPKMVPAQL-XJKSGUPXSA-N 2 1 298.833 3.342 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C[C@]2(F)CCCC[NH2+]C2)cc1 ZINC001246115681 804148003 /nfs/dbraw/zinc/14/80/03/804148003.db2.gz RYRRHZTZEDWBMI-QAPCUYQASA-N 2 1 292.442 3.251 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3cccnc3c2)CC1 ZINC001139170114 804148074 /nfs/dbraw/zinc/14/80/74/804148074.db2.gz ZKFWBVAXHAOHTM-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3cccnc3c2)CC1 ZINC001139170114 804148075 /nfs/dbraw/zinc/14/80/75/804148075.db2.gz ZKFWBVAXHAOHTM-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246137388 804160253 /nfs/dbraw/zinc/16/02/53/804160253.db2.gz VMAMUUUYKAPJBF-UHOFOFEASA-N 2 1 278.827 3.145 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC001246156953 804172357 /nfs/dbraw/zinc/17/23/57/804172357.db2.gz DJBDZZDDPHLPMH-DOMZBBRYSA-N 2 1 284.806 3.345 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4cc(O)ccc4c3)C2)C1 ZINC001139341312 804177045 /nfs/dbraw/zinc/17/70/45/804177045.db2.gz GTPZLNBGAGZRQW-LJQANCHMSA-N 2 1 296.414 3.073 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4cc(O)ccc4c3)C2)C1 ZINC001139341312 804177049 /nfs/dbraw/zinc/17/70/49/804177049.db2.gz GTPZLNBGAGZRQW-LJQANCHMSA-N 2 1 296.414 3.073 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4cc(O)ccc4c3)C2)C1 ZINC001139341312 804177052 /nfs/dbraw/zinc/17/70/52/804177052.db2.gz GTPZLNBGAGZRQW-LJQANCHMSA-N 2 1 296.414 3.073 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001246168594 804182188 /nfs/dbraw/zinc/18/21/88/804182188.db2.gz DYJMOCSABNNIEU-ZWKOTPCHSA-N 2 1 292.442 3.469 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246168594 804182196 /nfs/dbraw/zinc/18/21/96/804182196.db2.gz DYJMOCSABNNIEU-ZWKOTPCHSA-N 2 1 292.442 3.469 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001246167094 804182233 /nfs/dbraw/zinc/18/22/33/804182233.db2.gz CLJVUHCKSADBCU-KZNAEPCWSA-N 2 1 272.436 3.445 20 0 CGADMP CC[C@@H]1CC([N@H+](CCC[NH3+])C2CCCCC2)C[C@@H](CC)[NH2+]1 ZINC001246175187 804189904 /nfs/dbraw/zinc/18/99/04/804189904.db2.gz HLSGSFXUUYOWPS-HZPDHXFCSA-N 3 1 295.515 3.279 20 0 CGADMP CC[C@@H]1CC([N@@H+](CCC[NH3+])C2CCCCC2)C[C@@H](CC)[NH2+]1 ZINC001246175187 804189909 /nfs/dbraw/zinc/18/99/09/804189909.db2.gz HLSGSFXUUYOWPS-HZPDHXFCSA-N 3 1 295.515 3.279 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246178535 804192638 /nfs/dbraw/zinc/19/26/38/804192638.db2.gz OXEYFNAGVSERCR-ZWKOTPCHSA-N 2 1 292.442 3.325 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246180021 804194003 /nfs/dbraw/zinc/19/40/03/804194003.db2.gz QCKQNPLHRWYOHI-VQIMIIECSA-N 2 1 294.442 3.333 20 0 CGADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246186859 804198823 /nfs/dbraw/zinc/19/88/23/804198823.db2.gz IJIDALSSRSERNU-QWHCGFSZSA-N 2 1 299.245 3.192 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246189496 804200056 /nfs/dbraw/zinc/20/00/56/804200056.db2.gz MZQDOSSFKKHKSS-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP CCCC[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC001246196280 804204266 /nfs/dbraw/zinc/20/42/66/804204266.db2.gz SFNCZTQSFMSMNS-KSZLIROESA-N 2 1 295.515 3.151 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC001246198919 804205407 /nfs/dbraw/zinc/20/54/07/804205407.db2.gz ITTAMUZINZURRG-CYBMUJFWSA-N 2 1 266.388 3.344 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC001246215553 804212152 /nfs/dbraw/zinc/21/21/52/804212152.db2.gz ZAVQXVVSVVOWEP-UMNHJUIQSA-N 2 1 270.779 3.270 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)C[C@H]1C ZINC001246222848 804217441 /nfs/dbraw/zinc/21/74/41/804217441.db2.gz SIBWCEWSGDXXJS-MQYQWHSLSA-N 2 1 274.399 3.036 20 0 CGADMP CCOc1ccc(C)cc1C[N@@H+](CC)C1CCN(C)CC1 ZINC001139603230 804221695 /nfs/dbraw/zinc/22/16/95/804221695.db2.gz BWFXAJQYYLUZAI-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CCOc1ccc(C)cc1CN(CC)C1CC[NH+](C)CC1 ZINC001139603230 804221703 /nfs/dbraw/zinc/22/17/03/804221703.db2.gz BWFXAJQYYLUZAI-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246236303 804228741 /nfs/dbraw/zinc/22/87/41/804228741.db2.gz VKRYSQIAGWCXJM-LEUOFYLZSA-N 2 1 272.436 3.443 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC001246266549 804245366 /nfs/dbraw/zinc/24/53/66/804245366.db2.gz LBLTVJUSIAOZAG-DAWZGUTISA-N 2 1 274.452 3.361 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246266573 804245775 /nfs/dbraw/zinc/24/57/75/804245775.db2.gz XTGYVYBWUVXUIY-RLCCDNCMSA-N 2 1 282.378 3.392 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([NH2+]C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001246284691 804258442 /nfs/dbraw/zinc/25/84/42/804258442.db2.gz CLJVUHCKSADBCU-KSZLIROESA-N 2 1 272.436 3.445 20 0 CGADMP CCCCCC[C@@H](CCCC)N[C@H]([NH3+])CCC[NH3+] ZINC001246302252 804268714 /nfs/dbraw/zinc/26/87/14/804268714.db2.gz XJHHLJJNQONKOT-CABCVRRESA-N 2 1 257.466 3.129 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C(C)(C)c2ccccc2Cl)CC[NH2+]1 ZINC001246314470 804275864 /nfs/dbraw/zinc/27/58/64/804275864.db2.gz XSHWSWNLCQGZHE-NWDGAFQWSA-N 2 1 266.816 3.305 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3C(F)F)C2)C1 ZINC001139800526 804285026 /nfs/dbraw/zinc/28/50/26/804285026.db2.gz OLTVHHHHTGNNOE-MRXNPFEDSA-N 2 1 280.362 3.152 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3C(F)F)C2)C1 ZINC001139800526 804285030 /nfs/dbraw/zinc/28/50/30/804285030.db2.gz OLTVHHHHTGNNOE-MRXNPFEDSA-N 2 1 280.362 3.152 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3C(F)F)C2)C1 ZINC001139800526 804285036 /nfs/dbraw/zinc/28/50/36/804285036.db2.gz OLTVHHHHTGNNOE-MRXNPFEDSA-N 2 1 280.362 3.152 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3C(F)F)C2)C1 ZINC001139800526 804285042 /nfs/dbraw/zinc/28/50/42/804285042.db2.gz OLTVHHHHTGNNOE-MRXNPFEDSA-N 2 1 280.362 3.152 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246333496 804288234 /nfs/dbraw/zinc/28/82/34/804288234.db2.gz VGANSJSPKUHJGM-BZZMCLGOSA-N 2 1 272.436 3.443 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(F)c1 ZINC001246347396 804297821 /nfs/dbraw/zinc/29/78/21/804297821.db2.gz KIJMLDJAPPTMMF-XJKSGUPXSA-N 2 1 294.414 3.091 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC001246351003 804300009 /nfs/dbraw/zinc/30/00/09/804300009.db2.gz SXVVKLZCSCOESE-DISONHOPSA-N 2 1 270.420 3.195 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC001246351004 804300109 /nfs/dbraw/zinc/30/01/09/804300109.db2.gz SXVVKLZCSCOESE-IGKNDFSCSA-N 2 1 270.420 3.195 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2F)C[C@H](CC)[NH2+]1 ZINC001246355969 804302204 /nfs/dbraw/zinc/30/22/04/804302204.db2.gz RAGKIFSRTANLSG-FICVDOATSA-N 2 1 294.414 3.233 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C[NH2+]1 ZINC001246358033 804303348 /nfs/dbraw/zinc/30/33/48/804303348.db2.gz BYMCQCSNADZKQW-JIMOISOXSA-N 2 1 299.245 3.191 20 0 CGADMP CCCC[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C(CC)CC)C2)CC[NH2+]1 ZINC001246360207 804303369 /nfs/dbraw/zinc/30/33/69/804303369.db2.gz GFNFKOQJVUOYEL-IKGGRYGDSA-N 2 1 295.515 3.150 20 0 CGADMP Cc1ccc(CC(C)(C)C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246382870 804314538 /nfs/dbraw/zinc/31/45/38/804314538.db2.gz FXDYRQUSCYEZIO-RDJZCZTQSA-N 2 1 274.452 3.294 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2F)CC[NH2+]1 ZINC001246389991 804318507 /nfs/dbraw/zinc/31/85/07/804318507.db2.gz CMAPMDKTWZIHNB-HACGYAERSA-N 2 1 276.399 3.397 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001139931350 804330001 /nfs/dbraw/zinc/33/00/01/804330001.db2.gz MEIRARSUHYJVPU-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001139931350 804330012 /nfs/dbraw/zinc/33/00/12/804330012.db2.gz MEIRARSUHYJVPU-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)CC[NH2+]2)cc1 ZINC001246458332 804339935 /nfs/dbraw/zinc/33/99/35/804339935.db2.gz QDYFFOQDDGQQBJ-PLLDYVMSSA-N 2 1 270.420 3.258 20 0 CGADMP Clc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)nc1 ZINC001246459899 804340930 /nfs/dbraw/zinc/34/09/30/804340930.db2.gz TULKUBIFTQOKKY-DXBFTMOHSA-N 2 1 291.826 3.059 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246463018 804345023 /nfs/dbraw/zinc/34/50/23/804345023.db2.gz UMEBJUWNHZRGQI-RDTXWAMCSA-N 2 1 290.426 3.269 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246472882 804351028 /nfs/dbraw/zinc/35/10/28/804351028.db2.gz ZUEUVIPFDZJMOJ-CQSZACIVSA-N 2 1 278.399 3.141 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001246494533 804361045 /nfs/dbraw/zinc/36/10/45/804361045.db2.gz HFUYBMFLLVRATF-INIZCTEOSA-N 2 1 290.451 3.050 20 0 CGADMP C(=C/c1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1)\c1ccccc1 ZINC001246508014 804364905 /nfs/dbraw/zinc/36/49/05/804364905.db2.gz BBMORALFYJLVIL-YJJPMGAVSA-N 2 1 292.426 3.351 20 0 CGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CCCCC2)CC[NH2+]1 ZINC001246519807 804373423 /nfs/dbraw/zinc/37/34/23/804373423.db2.gz QFIBINBCUSUJAJ-DOTOQJQBSA-N 2 1 276.399 3.413 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246525386 804378421 /nfs/dbraw/zinc/37/84/21/804378421.db2.gz XCIIFEGNZVCDHF-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C1C[C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]2C1 ZINC001246525124 804378636 /nfs/dbraw/zinc/37/86/36/804378636.db2.gz IATPNGRMFYWUTF-RYTJFDOTSA-N 2 1 262.441 3.031 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246524487 804379231 /nfs/dbraw/zinc/37/92/31/804379231.db2.gz FCXWZXIAKHAYKB-HUSMAVQQSA-N 2 1 250.430 3.028 20 0 CGADMP FC1(F)CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246530528 804380779 /nfs/dbraw/zinc/38/07/79/804380779.db2.gz YRNYVZLONCXSMJ-UHFFFAOYSA-N 2 1 272.383 3.030 20 0 CGADMP FC1(F)CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246530528 804380785 /nfs/dbraw/zinc/38/07/85/804380785.db2.gz YRNYVZLONCXSMJ-UHFFFAOYSA-N 2 1 272.383 3.030 20 0 CGADMP CCC[N@@H+]([C@H](C)CC)C1CCC2(CC[NH2+]C2)CC1 ZINC001246532353 804382798 /nfs/dbraw/zinc/38/27/98/804382798.db2.gz YRJBAXQSPAMSBF-QQFBHYJXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246534832 804383085 /nfs/dbraw/zinc/38/30/85/804383085.db2.gz ZLTXACNKZIPIGD-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246537346 804385968 /nfs/dbraw/zinc/38/59/68/804385968.db2.gz VJZOVYJEOAPMFM-HLLBOEOZSA-N 2 1 290.451 3.089 20 0 CGADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539293 804387714 /nfs/dbraw/zinc/38/77/14/804387714.db2.gz HDWUTEXINJPXNW-IXDOHACOSA-N 2 1 258.409 3.136 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542321 804390512 /nfs/dbraw/zinc/39/05/12/804390512.db2.gz OKHMABMCFLNXBS-JQHSSLGASA-N 2 1 274.452 3.170 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001246547028 804395730 /nfs/dbraw/zinc/39/57/30/804395730.db2.gz ADZHFMDKWSOOAJ-HUUCEWRRSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001246547028 804395738 /nfs/dbraw/zinc/39/57/38/804395738.db2.gz ADZHFMDKWSOOAJ-HUUCEWRRSA-N 2 1 278.465 3.159 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH+]3CCCCCC3)CC[NH2+]2)cc1 ZINC001246547700 804396346 /nfs/dbraw/zinc/39/63/46/804396346.db2.gz MKXCDPVFUVXFAC-DLBZAZTESA-N 2 1 258.409 3.356 20 0 CGADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001246547415 804396897 /nfs/dbraw/zinc/39/68/97/804396897.db2.gz CWSUFGDHXHQMPC-AEFFLSMTSA-N 2 1 294.483 3.055 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246549576 804398952 /nfs/dbraw/zinc/39/89/52/804398952.db2.gz JDYDVICPUOTEKT-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C[C@H]1C[NH3+] ZINC001246551339 804400639 /nfs/dbraw/zinc/40/06/39/804400639.db2.gz MAVHWXUNOIROPA-YUELXQCFSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1C[NH3+] ZINC001246553202 804402173 /nfs/dbraw/zinc/40/21/73/804402173.db2.gz SGDDFYUOLASPOW-VDHUWJSZSA-N 2 1 272.436 3.239 20 0 CGADMP [NH3+]C[C@]1(O)CCC[N@H+](C2CCC3(CCCCC3)CC2)CC1 ZINC001246552126 804402658 /nfs/dbraw/zinc/40/26/58/804402658.db2.gz OAKZCUJMOZQHJK-SFHVURJKSA-N 2 1 294.483 3.055 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001246553366 804402670 /nfs/dbraw/zinc/40/26/70/804402670.db2.gz QYLOAAWDENPSJD-UPJWGTAASA-N 2 1 278.362 3.311 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001246551707 804402842 /nfs/dbraw/zinc/40/28/42/804402842.db2.gz MOYXVVREMRQCRU-KSZLIROESA-N 2 1 288.435 3.110 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C[C@@H]1C[NH3+] ZINC001246553787 804403833 /nfs/dbraw/zinc/40/38/33/804403833.db2.gz UUAWKRSODNVYIZ-ISTRZQFTSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCCC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246554734 804404451 /nfs/dbraw/zinc/40/44/51/804404451.db2.gz CNDQTBGLZGJPDJ-QLFBSQMISA-N 2 1 252.446 3.262 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001246554076 804404639 /nfs/dbraw/zinc/40/46/39/804404639.db2.gz YROGDPXQWJVFPD-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001246554076 804404643 /nfs/dbraw/zinc/40/46/43/804404643.db2.gz YROGDPXQWJVFPD-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555460 804404692 /nfs/dbraw/zinc/40/46/92/804404692.db2.gz GTFLQKPCVFFXRZ-CHWSQXEVSA-N 2 1 260.372 3.037 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246559358 804407696 /nfs/dbraw/zinc/40/76/96/804407696.db2.gz PHDQILRZKHKKLA-KRWDZBQOSA-N 2 1 272.436 3.287 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246559294 804407868 /nfs/dbraw/zinc/40/78/68/804407868.db2.gz PBBDFQDPMXHBSB-KBAYOESNSA-N 2 1 274.452 3.315 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246561094 804409764 /nfs/dbraw/zinc/40/97/64/804409764.db2.gz IFZYCSVTUFUICO-IRXDYDNUSA-N 2 1 276.399 3.180 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246560353 804410306 /nfs/dbraw/zinc/41/03/06/804410306.db2.gz CWLLRMKFFAVORQ-YRGRVCCFSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C[C@@H]1C ZINC001246560439 804410555 /nfs/dbraw/zinc/41/05/55/804410555.db2.gz GTHLRHINLGTMEP-JKJDWNRSSA-N 2 1 252.446 3.118 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001246563182 804412126 /nfs/dbraw/zinc/41/21/26/804412126.db2.gz JGACWQARNLIOJH-HDMKZQKVSA-N 2 1 274.452 3.239 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)CC2)CC[NH2+]1 ZINC001246563781 804414121 /nfs/dbraw/zinc/41/41/21/804414121.db2.gz BYJILGJRWJIIOR-LZWOXQAQSA-N 2 1 270.436 3.367 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](F)C2)CC[NH2+]1 ZINC001246565106 804414403 /nfs/dbraw/zinc/41/44/03/804414403.db2.gz ABHVUEYPQJWMOY-ZNMIVQPWSA-N 2 1 256.409 3.121 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](F)C2)CC[NH2+]1 ZINC001246565106 804414405 /nfs/dbraw/zinc/41/44/05/804414405.db2.gz ABHVUEYPQJWMOY-ZNMIVQPWSA-N 2 1 256.409 3.121 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@@H]1C ZINC001246573046 804421155 /nfs/dbraw/zinc/42/11/55/804421155.db2.gz DZXQYBRQCRGEEG-UGUYLWEFSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246577935 804424787 /nfs/dbraw/zinc/42/47/87/804424787.db2.gz UQJDXOOXYZNXPF-LZWOXQAQSA-N 2 1 270.436 3.367 20 0 CGADMP CC1(C)CCC([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246582176 804426439 /nfs/dbraw/zinc/42/64/39/804426439.db2.gz RHIJHRUQFHHQLJ-HNNXBMFYSA-N 2 1 256.409 3.108 20 0 CGADMP CC1(C)CCC([N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246582176 804426441 /nfs/dbraw/zinc/42/64/41/804426441.db2.gz RHIJHRUQFHHQLJ-HNNXBMFYSA-N 2 1 256.409 3.108 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(c3ccccc3)CC2)CC[C@@H]1F ZINC001246585438 804430366 /nfs/dbraw/zinc/43/03/66/804430366.db2.gz KNYYWYLCKKLAPA-ZGUYJTEBSA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C2CCC(c3ccccc3)CC2)CC[C@@H]1F ZINC001246585438 804430369 /nfs/dbraw/zinc/43/03/69/804430369.db2.gz KNYYWYLCKKLAPA-ZGUYJTEBSA-N 2 1 290.426 3.474 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246590694 804433257 /nfs/dbraw/zinc/43/32/57/804433257.db2.gz KQJKXEJRNZUYGI-AGIUHOORSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246590694 804433260 /nfs/dbraw/zinc/43/32/60/804433260.db2.gz KQJKXEJRNZUYGI-AGIUHOORSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246595061 804435746 /nfs/dbraw/zinc/43/57/46/804435746.db2.gz XLCWKLBPCVKJPZ-MGPQQGTHSA-N 2 1 296.455 3.366 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)C1 ZINC001246595116 804437347 /nfs/dbraw/zinc/43/73/47/804437347.db2.gz RHRKRGALJQFDIM-OWCLPIDISA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246601915 804438447 /nfs/dbraw/zinc/43/84/47/804438447.db2.gz HXSGJMYCGJTRLT-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246600262 804438545 /nfs/dbraw/zinc/43/85/45/804438545.db2.gz DOZUUJQCTYWJLC-VQIMIIECSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246609364 804443501 /nfs/dbraw/zinc/44/35/01/804443501.db2.gz MTCGZJDNSFZQJJ-RHSMWYFYSA-N 2 1 292.854 3.347 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246612953 804446956 /nfs/dbraw/zinc/44/69/56/804446956.db2.gz JIWRURSTLGQISI-SJORKVTESA-N 2 1 296.499 3.149 20 0 CGADMP Nc1[nH+]cccc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001212399791 815018546 /nfs/dbraw/zinc/01/85/46/815018546.db2.gz LLDFBFPMUOJAGG-UHFFFAOYSA-N 2 1 282.391 3.393 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246614907 804448233 /nfs/dbraw/zinc/44/82/33/804448233.db2.gz VQRJLRBOVAGPOW-INIZCTEOSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246615829 804450087 /nfs/dbraw/zinc/45/00/87/804450087.db2.gz SVLFYWDFVQHZKZ-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615836 804450740 /nfs/dbraw/zinc/45/07/40/804450740.db2.gz SVSOUWSDOQBTAT-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc([C@@H]2C[N@@H+](C3CCCCC3)CC23C[NH2+]C3)cc1 ZINC001246616668 804451566 /nfs/dbraw/zinc/45/15/66/804451566.db2.gz AAZXWZFQMYPEAU-KRWDZBQOSA-N 2 1 270.420 3.008 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617085 804451846 /nfs/dbraw/zinc/45/18/46/804451846.db2.gz XQKVWHUXCRHJRU-VQTJNVASSA-N 2 1 298.474 3.460 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617085 804451849 /nfs/dbraw/zinc/45/18/49/804451849.db2.gz XQKVWHUXCRHJRU-VQTJNVASSA-N 2 1 298.474 3.460 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)C[C@H](C)C1 ZINC001246618300 804451917 /nfs/dbraw/zinc/45/19/17/804451917.db2.gz JSLJFMUXBMDNBS-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246620491 804453120 /nfs/dbraw/zinc/45/31/20/804453120.db2.gz JUWKKGPEGWPJQD-APWZRJJASA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246620491 804453125 /nfs/dbraw/zinc/45/31/25/804453125.db2.gz JUWKKGPEGWPJQD-APWZRJJASA-N 2 1 286.463 3.398 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246622703 804455594 /nfs/dbraw/zinc/45/55/94/804455594.db2.gz RSEVWWJTMSVXTN-PKOBYXMFSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246622703 804455599 /nfs/dbraw/zinc/45/55/99/804455599.db2.gz RSEVWWJTMSVXTN-PKOBYXMFSA-N 2 1 284.447 3.070 20 0 CGADMP C1C[C@@]2(C[N@H+]1C1CCCCCCC1)CCCC[NH2+]2 ZINC001246624779 804457257 /nfs/dbraw/zinc/45/72/57/804457257.db2.gz SFPBRBFRNPRKNP-MRXNPFEDSA-N 2 1 250.430 3.317 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624213 804457275 /nfs/dbraw/zinc/45/72/75/804457275.db2.gz OHLMLTHCJOINCE-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001246626283 804457410 /nfs/dbraw/zinc/45/74/10/804457410.db2.gz IKVIOJSQHCJBHM-ZYSHUDEJSA-N 2 1 286.463 3.111 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246625557 804457532 /nfs/dbraw/zinc/45/75/32/804457532.db2.gz WRCSQTQKCJRSLZ-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@@]3(C1)CCCC[NH2+]3)C2 ZINC001246627023 804459307 /nfs/dbraw/zinc/45/93/07/804459307.db2.gz VYTJGAXZNWTBQT-PKOBYXMFSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@]3(C1)CCCC[NH2+]3)C2 ZINC001246627023 804459310 /nfs/dbraw/zinc/45/93/10/804459310.db2.gz VYTJGAXZNWTBQT-PKOBYXMFSA-N 2 1 284.447 3.070 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(F)c1Cl)CC2 ZINC001140567575 804460865 /nfs/dbraw/zinc/46/08/65/804460865.db2.gz BUVIAVJLXDYENQ-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246631502 804462036 /nfs/dbraw/zinc/46/20/36/804462036.db2.gz UDOZCCCXUOLTNO-VVLHAWIVSA-N 2 1 266.473 3.379 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CC2 ZINC001246634460 804463564 /nfs/dbraw/zinc/46/35/64/804463564.db2.gz NTRHWQFOEPNZDV-VQTJNVASSA-N 2 1 298.474 3.460 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246637178 804465764 /nfs/dbraw/zinc/46/57/64/804465764.db2.gz OWJATJMKHKEUKX-KZNAEPCWSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246637178 804465766 /nfs/dbraw/zinc/46/57/66/804465766.db2.gz OWJATJMKHKEUKX-KZNAEPCWSA-N 2 1 270.420 3.151 20 0 CGADMP CCC1CCC([N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)CC1 ZINC001246639806 804467545 /nfs/dbraw/zinc/46/75/45/804467545.db2.gz RECNEPMZRVWLIZ-YMAMQOFZSA-N 2 1 286.410 3.276 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CCOCC23CC[NH2+]CC3)CC1 ZINC001246641750 804468867 /nfs/dbraw/zinc/46/88/67/804468867.db2.gz FIBHHUBWTBBRLZ-UHFFFAOYSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCOCC23CC[NH2+]CC3)CC1 ZINC001246641750 804468870 /nfs/dbraw/zinc/46/88/70/804468870.db2.gz FIBHHUBWTBBRLZ-UHFFFAOYSA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246642153 804469146 /nfs/dbraw/zinc/46/91/46/804469146.db2.gz ZMDVBLJDOWHDEV-OPQOLIRYSA-N 2 1 270.420 3.149 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)C[C@@H]21 ZINC001246643466 804470943 /nfs/dbraw/zinc/47/09/43/804470943.db2.gz HCYZMNQRJXXCBP-YYIAUSFCSA-N 2 1 276.468 3.275 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC001246644510 804471826 /nfs/dbraw/zinc/47/18/26/804471826.db2.gz JZPGSJRZZJQSMP-DJIMGWMZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644460 804471958 /nfs/dbraw/zinc/47/19/58/804471958.db2.gz QBHRSLKRSURDKU-HZPDHXFCSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644460 804471961 /nfs/dbraw/zinc/47/19/61/804471961.db2.gz QBHRSLKRSURDKU-HZPDHXFCSA-N 2 1 250.430 3.339 20 0 CGADMP C1C[C@H]2[C@H](CC[N@H+]2[C@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246644421 804472146 /nfs/dbraw/zinc/47/21/46/804472146.db2.gz HPDCCPKOPMDTGP-JYJNAYRXSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001246648252 804475120 /nfs/dbraw/zinc/47/51/20/804475120.db2.gz XEGXZJDSLHQCPL-NUYPLMSZSA-N 2 1 298.352 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246648252 804475125 /nfs/dbraw/zinc/47/51/25/804475125.db2.gz XEGXZJDSLHQCPL-NUYPLMSZSA-N 2 1 298.352 3.060 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647222 804475972 /nfs/dbraw/zinc/47/59/72/804475972.db2.gz JAUNQAFQIYMUAJ-QYZOEREBSA-N 2 1 286.463 3.329 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650016 804476525 /nfs/dbraw/zinc/47/65/25/804476525.db2.gz GBHJBDULSUWTDH-IKGGRYGDSA-N 2 1 282.472 3.188 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650497 804478667 /nfs/dbraw/zinc/47/86/67/804478667.db2.gz IWDKOTHSKORVBE-QZTJIDSGSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CCCC[C@]12CCC[NH2+]C2 ZINC001246650497 804478671 /nfs/dbraw/zinc/47/86/71/804478671.db2.gz IWDKOTHSKORVBE-QZTJIDSGSA-N 2 1 295.515 3.105 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246650605 804479242 /nfs/dbraw/zinc/47/92/42/804479242.db2.gz UWMYUBIAOWZEMZ-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677372 804491959 /nfs/dbraw/zinc/49/19/59/804491959.db2.gz ICBQMPQUIPDSLL-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246681689 804494015 /nfs/dbraw/zinc/49/40/15/804494015.db2.gz PPNRSRYYKNYQHY-ZDUSSCGKSA-N 2 1 280.843 3.202 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246681000 804494825 /nfs/dbraw/zinc/49/48/25/804494825.db2.gz YZQFRURMCDFPSJ-SOUVJXGZSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246689303 804497810 /nfs/dbraw/zinc/49/78/10/804497810.db2.gz IKUVAGMUBTUWQL-CAOSSQGBSA-N 2 1 284.463 3.456 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001246693735 804498745 /nfs/dbraw/zinc/49/87/45/804498745.db2.gz QKVWOOPUJJQJIY-BACDZXNISA-N 2 1 282.447 3.369 20 0 CGADMP Cc1ccccc1C[N@H+](C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246762973 804500974 /nfs/dbraw/zinc/50/09/74/804500974.db2.gz BJRZDTZLGINPQY-UHFFFAOYSA-N 2 1 272.436 3.349 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cccc2ccccc21 ZINC001246773360 804504347 /nfs/dbraw/zinc/50/43/47/804504347.db2.gz BMQXEEYVPOPTCL-CQSZACIVSA-N 2 1 256.393 3.270 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC001246775948 804506012 /nfs/dbraw/zinc/50/60/12/804506012.db2.gz LIOQJRHBIHANGP-LSDHHAIUSA-N 2 1 278.465 3.146 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246777726 804506351 /nfs/dbraw/zinc/50/63/51/804506351.db2.gz TVJIHWRNISZOIY-ROUUACIJSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246782239 804508096 /nfs/dbraw/zinc/50/80/96/804508096.db2.gz QXQXYQILXXTAKA-RYUDHWBXSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246782239 804508102 /nfs/dbraw/zinc/50/81/02/804508102.db2.gz QXQXYQILXXTAKA-RYUDHWBXSA-N 2 1 284.806 3.081 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH2+]CC2)cc1 ZINC001246782252 804508678 /nfs/dbraw/zinc/50/86/78/804508678.db2.gz RENFSUWSCHUEMU-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246783429 804509325 /nfs/dbraw/zinc/50/93/25/804509325.db2.gz XBIOWBHGEGHSCU-VXGBXAGGSA-N 2 1 284.806 3.081 20 0 CGADMP C[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)C12CC3CC(CC(C3)C1)C2 ZINC001246784463 804509342 /nfs/dbraw/zinc/50/93/42/804509342.db2.gz XKKPNBBZJGFAKR-IYVKNKIOSA-N 2 1 274.452 3.170 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246783009 804509548 /nfs/dbraw/zinc/50/95/48/804509548.db2.gz VHVPLALYZYXJLI-JLAWEPINSA-N 2 1 286.463 3.459 20 0 CGADMP C[N@@H+](C1CCC2(C[NH2+]C2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001246784352 804510058 /nfs/dbraw/zinc/51/00/58/804510058.db2.gz VZABEHIEFOWFJY-UHFFFAOYSA-N 2 1 288.479 3.419 20 0 CGADMP CC[C@H]1CC([N@@H+]2CCOc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246786305 804512148 /nfs/dbraw/zinc/51/21/48/804512148.db2.gz NLBGSVRAJNGNKE-HOTGVXAUSA-N 2 1 288.435 3.190 20 0 CGADMP CC[C@H]1CC([N@H+]2CCOc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246786305 804512154 /nfs/dbraw/zinc/51/21/54/804512154.db2.gz NLBGSVRAJNGNKE-HOTGVXAUSA-N 2 1 288.435 3.190 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CC2CC2)C(C)C)C[C@H](CC)[NH2+]1 ZINC001246788649 804513740 /nfs/dbraw/zinc/51/37/40/804513740.db2.gz HQGLGZPXVRACQQ-MUJYYYPQSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cccs2)CC[NH2+]1 ZINC001246790491 804513842 /nfs/dbraw/zinc/51/38/42/804513842.db2.gz WWAMKYWBYJTWHK-AGIUHOORSA-N 2 1 250.411 3.026 20 0 CGADMP CCCC1CCC([N@H+]2CCCC3(C[NH2+]C3)C2)CC1 ZINC001246793646 804517624 /nfs/dbraw/zinc/51/76/24/804517624.db2.gz VQENMGOLJLDYTF-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](CC1CCC1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246799706 804521251 /nfs/dbraw/zinc/52/12/51/804521251.db2.gz ANLNLLUCHYHVQV-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246799648 804521294 /nfs/dbraw/zinc/52/12/94/804521294.db2.gz YKWVLBIFYQIPKY-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP C1CCC2(C1)CC[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246807137 804525128 /nfs/dbraw/zinc/52/51/28/804525128.db2.gz NBPJPRHEAFWCTD-NVXWUHKLSA-N 2 1 262.441 3.175 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC001246810092 804526467 /nfs/dbraw/zinc/52/64/67/804526467.db2.gz MOOYGQSSKJHJHS-BFHYXJOUSA-N 2 1 278.827 3.270 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCCC[C@H]1c1cccc(OC)c1 ZINC001246810159 804526773 /nfs/dbraw/zinc/52/67/73/804526773.db2.gz YMLYVPQSEMVNQC-YOEHRIQHSA-N 2 1 276.424 3.220 20 0 CGADMP CC[C@H]1CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246809487 804527016 /nfs/dbraw/zinc/52/70/16/804527016.db2.gz WTZHOTNNCHSBTQ-FHERZECASA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H](C)C1 ZINC001246810551 804527361 /nfs/dbraw/zinc/52/73/61/804527361.db2.gz NWJXLQAGNKPXTO-PSBWJHGTSA-N 2 1 286.463 3.470 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001246813325 804530259 /nfs/dbraw/zinc/53/02/59/804530259.db2.gz IECIPYHJLPVUMK-GJZGRUSLSA-N 2 1 278.465 3.017 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246814177 804530674 /nfs/dbraw/zinc/53/06/74/804530674.db2.gz ODWMUTZYKXSNJP-HOTGVXAUSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC2(CCc3ccccc32)CC1 ZINC001246815347 804531572 /nfs/dbraw/zinc/53/15/72/804531572.db2.gz YDDSSEDQEAEBAO-PPDQVPDSSA-N 2 1 298.474 3.355 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246814823 804532668 /nfs/dbraw/zinc/53/26/68/804532668.db2.gz SKPAXTABICILCL-HUUCEWRRSA-N 2 1 266.454 3.491 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246814823 804532671 /nfs/dbraw/zinc/53/26/71/804532671.db2.gz SKPAXTABICILCL-HUUCEWRRSA-N 2 1 266.454 3.491 20 0 CGADMP C1C[C@@H]2CCC[N@H+](C3CCC4(CC[NH2+]C4)CC3)[C@H]2C1 ZINC001246822255 804534925 /nfs/dbraw/zinc/53/49/25/804534925.db2.gz WODXZTXDCWCSFS-GYXIZQIFSA-N 2 1 262.441 3.173 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246822673 804537356 /nfs/dbraw/zinc/53/73/56/804537356.db2.gz MIZQSLDOJJEIQE-ZVZYQTTQSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828122 804538249 /nfs/dbraw/zinc/53/82/49/804538249.db2.gz XMBSRPNCFSLDQW-NDBYEHHHSA-N 2 1 280.378 3.413 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828122 804538250 /nfs/dbraw/zinc/53/82/50/804538250.db2.gz XMBSRPNCFSLDQW-NDBYEHHHSA-N 2 1 280.378 3.413 20 0 CGADMP C1CC[C@@H]2[C@H](C1)CCC[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246834649 804541846 /nfs/dbraw/zinc/54/18/46/804541846.db2.gz IQZFWTSUTHESPQ-UHDSXZAQSA-N 2 1 262.441 3.314 20 0 CGADMP C1CC[C@@H]2[C@H](C1)CCC[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246834649 804541850 /nfs/dbraw/zinc/54/18/50/804541850.db2.gz IQZFWTSUTHESPQ-UHDSXZAQSA-N 2 1 262.441 3.314 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(Cc3ccccc3)CC2)C[C@@H]1F ZINC001246834492 804542873 /nfs/dbraw/zinc/54/28/73/804542873.db2.gz IMEHAWRYDYLACB-ZGUYJTEBSA-N 2 1 290.426 3.159 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C2CCC(Cc3ccccc3)CC2)C[C@@H]1F ZINC001246834492 804542878 /nfs/dbraw/zinc/54/28/78/804542878.db2.gz IMEHAWRYDYLACB-ZGUYJTEBSA-N 2 1 290.426 3.159 20 0 CGADMP C1CC2(C[C@@H]1[N@H+]1CC[C@H]3CCCC[C@H]3C1)CC[NH2+]CC2 ZINC001246833694 804543145 /nfs/dbraw/zinc/54/31/45/804543145.db2.gz ICHWWIJLIMEENZ-IXDOHACOSA-N 2 1 276.468 3.421 20 0 CGADMP CCC(CC)[N@@H+](CC)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246839961 804548039 /nfs/dbraw/zinc/54/80/39/804548039.db2.gz MFBDMCZBUSDMCN-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246839406 804548449 /nfs/dbraw/zinc/54/84/49/804548449.db2.gz AXLSTGYBVRCGGI-SLEUVZQESA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]1c2cccn2CC[N@@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246842315 804549683 /nfs/dbraw/zinc/54/96/83/804549683.db2.gz YKTDIMSSOWMRJY-KLHKWILBSA-N 2 1 287.451 3.177 20 0 CGADMP C[C@@H]1c2cccn2CC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246842315 804549688 /nfs/dbraw/zinc/54/96/88/804549688.db2.gz YKTDIMSSOWMRJY-KLHKWILBSA-N 2 1 287.451 3.177 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246841249 804550042 /nfs/dbraw/zinc/55/00/42/804550042.db2.gz NLQZIFOKFRMGLD-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246840803 804550540 /nfs/dbraw/zinc/55/05/40/804550540.db2.gz KTGDDZQZCLITBG-QWHCGFSZSA-N 2 1 298.833 3.342 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246844851 804553781 /nfs/dbraw/zinc/55/37/81/804553781.db2.gz HCPVJVLMSMVJEN-KSZLIROESA-N 2 1 286.463 3.328 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246849334 804559345 /nfs/dbraw/zinc/55/93/45/804559345.db2.gz ZRFLEKQFVOYWLT-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C[C@H](C)[NH2+]1 ZINC001246851050 804560438 /nfs/dbraw/zinc/56/04/38/804560438.db2.gz XYYMTTCXEHNIMT-YXPYIKCWSA-N 2 1 276.399 3.144 20 0 CGADMP C1[C@@H]2CC[NH2+]C[C@H]2C[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849304 804560533 /nfs/dbraw/zinc/56/05/33/804560533.db2.gz ZPWFZAZVRSCURZ-HOTGVXAUSA-N 2 1 276.468 3.421 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001246852617 804562365 /nfs/dbraw/zinc/56/23/65/804562365.db2.gz RHYHKNZSZAZIFW-CJNGLKHVSA-N 2 1 296.842 3.181 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246862430 804567465 /nfs/dbraw/zinc/56/74/65/804567465.db2.gz GQAPIKAOBCDDJE-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)C1CCC2(C[NH2+]C2)CC1 ZINC001246867628 804569022 /nfs/dbraw/zinc/56/90/22/804569022.db2.gz YUVGRLHPHRBQCT-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246874005 804573429 /nfs/dbraw/zinc/57/34/29/804573429.db2.gz UUKMKQHCEGHBTC-QAPCUYQASA-N 2 1 284.447 3.356 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246874204 804574291 /nfs/dbraw/zinc/57/42/91/804574291.db2.gz WCIDIAYMDSWBQJ-DOTOQJQBSA-N 2 1 294.389 3.319 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246879428 804576525 /nfs/dbraw/zinc/57/65/25/804576525.db2.gz NMYLGSBTJIPJRO-CVEARBPZSA-N 2 1 276.424 3.048 20 0 CGADMP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCC4(CC4)CC2)C3)cc1 ZINC001246881718 804577945 /nfs/dbraw/zinc/57/79/45/804577945.db2.gz VSNWHRZNKNCSPY-XLIONFOSSA-N 2 1 296.458 3.182 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC[NH2+]1 ZINC001246884321 804579800 /nfs/dbraw/zinc/57/98/00/804579800.db2.gz AJBQJNUMHYJBPE-CYJAXWMASA-N 2 1 284.447 3.350 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246899335 804587047 /nfs/dbraw/zinc/58/70/47/804587047.db2.gz DOFUCECOOGIELT-KDOFPFPSSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246899337 804587164 /nfs/dbraw/zinc/58/71/64/804587164.db2.gz DOFUCECOOGIELT-KSSFIOAISA-N 2 1 283.419 3.447 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC[NH2+]CCC1 ZINC001246904811 804590131 /nfs/dbraw/zinc/59/01/31/804590131.db2.gz JBCLZEHERBKFHQ-GFCCVEGCSA-N 2 1 284.806 3.096 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+]2CCSc3ccccc3C2)CC[NH2+]1 ZINC001246909075 804592644 /nfs/dbraw/zinc/59/26/44/804592644.db2.gz ZIZBLINWSWXHGL-HZPDHXFCSA-N 2 1 290.476 3.371 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCSc3ccccc3C2)CC[NH2+]1 ZINC001246909075 804592650 /nfs/dbraw/zinc/59/26/50/804592650.db2.gz ZIZBLINWSWXHGL-HZPDHXFCSA-N 2 1 290.476 3.371 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001246922467 804602316 /nfs/dbraw/zinc/60/23/16/804602316.db2.gz WBDRTEKZBPNJFH-BDXSIMOUSA-N 2 1 276.468 3.421 20 0 CGADMP CCOCC[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924877 804603501 /nfs/dbraw/zinc/60/35/01/804603501.db2.gz NIEHVCXPTULHGH-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP CCOCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924877 804603505 /nfs/dbraw/zinc/60/35/05/804603505.db2.gz NIEHVCXPTULHGH-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP CCCCCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246930952 804605737 /nfs/dbraw/zinc/60/57/37/804605737.db2.gz KVZGIXOCBTYQPC-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937886 804609038 /nfs/dbraw/zinc/60/90/38/804609038.db2.gz NIILJJDFPUMWQQ-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246946251 804614470 /nfs/dbraw/zinc/61/44/70/804614470.db2.gz OLKLGZUAXSXLSH-GOEBONIOSA-N 2 1 268.420 3.252 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246946251 804614472 /nfs/dbraw/zinc/61/44/72/804614472.db2.gz OLKLGZUAXSXLSH-GOEBONIOSA-N 2 1 268.420 3.252 20 0 CGADMP CCOCC[N@@H+]([C@H](C)CCCC(C)C)C1CC[NH2+]CC1 ZINC001246948865 804615987 /nfs/dbraw/zinc/61/59/87/804615987.db2.gz GBJKFSVOEMBXDW-MRXNPFEDSA-N 2 1 284.488 3.292 20 0 CGADMP c1ccc(C[N@H+](C2CCC2)[C@H]2CCCC[NH2+]C2)cc1 ZINC001246967069 804621403 /nfs/dbraw/zinc/62/14/03/804621403.db2.gz SUUUVHNSWHQSSA-KRWDZBQOSA-N 2 1 258.409 3.183 20 0 CGADMP c1ccc(C[N@@H+](C2CCC2)[C@H]2CCCC[NH2+]C2)cc1 ZINC001246967069 804621407 /nfs/dbraw/zinc/62/14/07/804621407.db2.gz SUUUVHNSWHQSSA-KRWDZBQOSA-N 2 1 258.409 3.183 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246970344 804622149 /nfs/dbraw/zinc/62/21/49/804622149.db2.gz YAQTVEVIIKMYLO-UAGQMJEPSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@H]1CC[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246970344 804622152 /nfs/dbraw/zinc/62/21/52/804622152.db2.gz YAQTVEVIIKMYLO-UAGQMJEPSA-N 2 1 258.409 3.354 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001246991067 804631956 /nfs/dbraw/zinc/63/19/56/804631956.db2.gz KTWKLXCPKDYQJR-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP C1CC2(C[N@H+]1[C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CCCCC2 ZINC001247000780 804634097 /nfs/dbraw/zinc/63/40/97/804634097.db2.gz XDPQKYVEPSEHSU-ZSHCYNCHSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC(C)(C)C1 ZINC001247012444 804639895 /nfs/dbraw/zinc/63/98/95/804639895.db2.gz DPRHRWPBXXHAPM-UGUYLWEFSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC(C)(C)C1 ZINC001247012444 804639896 /nfs/dbraw/zinc/63/98/96/804639896.db2.gz DPRHRWPBXXHAPM-UGUYLWEFSA-N 2 1 264.457 3.275 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC001247015294 804642657 /nfs/dbraw/zinc/64/26/57/804642657.db2.gz HDLYKBLOWDWPQR-RYUDHWBXSA-N 2 1 299.256 3.440 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247016523 804644998 /nfs/dbraw/zinc/64/49/98/804644998.db2.gz WUMKDXVUTSOITO-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247016523 804645001 /nfs/dbraw/zinc/64/50/01/804645001.db2.gz WUMKDXVUTSOITO-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001155031171 805528010 /nfs/dbraw/zinc/52/80/10/805528010.db2.gz SPSNCTURPOLSIJ-QWHCGFSZSA-N 2 1 298.434 3.099 20 0 CGADMP CC[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256860849 806992563 /nfs/dbraw/zinc/99/25/63/806992563.db2.gz GUUGUGDZPGJXOS-HNNXBMFYSA-N 2 1 273.424 3.172 20 0 CGADMP C[C@@]1(F)CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256855828 806992973 /nfs/dbraw/zinc/99/29/73/806992973.db2.gz XOGUXKASVNHPFG-QGZVFWFLSA-N 2 1 291.414 3.265 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3sccc32)CC1 ZINC001257214110 807063478 /nfs/dbraw/zinc/06/34/78/807063478.db2.gz WXZOSQPJBLZQKF-AWEZNQCLSA-N 2 1 264.438 3.198 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257223430 807064175 /nfs/dbraw/zinc/06/41/75/807064175.db2.gz OVAKJBUTKYQGAQ-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257223430 807064182 /nfs/dbraw/zinc/06/41/82/807064182.db2.gz OVAKJBUTKYQGAQ-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](CC)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001257260060 807074996 /nfs/dbraw/zinc/07/49/96/807074996.db2.gz QLGUQECDHVIAJS-AWEZNQCLSA-N 2 1 292.471 3.120 20 0 CGADMP CC[C@@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001257435458 807154672 /nfs/dbraw/zinc/15/46/72/807154672.db2.gz DIPQOQDATOAQAN-OAHLLOKOSA-N 2 1 260.425 3.429 20 0 CGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCCCC3)C2)C1 ZINC001257456344 807165222 /nfs/dbraw/zinc/16/52/22/807165222.db2.gz SMPRFWBEPXPUHA-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCCCC3)C2)C1 ZINC001257456344 807165224 /nfs/dbraw/zinc/16/52/24/807165224.db2.gz SMPRFWBEPXPUHA-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCCCC3)C2)C1 ZINC001257456344 807165227 /nfs/dbraw/zinc/16/52/27/807165227.db2.gz SMPRFWBEPXPUHA-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCCCC3)C2)C1 ZINC001257456344 807165230 /nfs/dbraw/zinc/16/52/30/807165230.db2.gz SMPRFWBEPXPUHA-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@@H]2CCCSC2)CC1 ZINC001257666365 807208873 /nfs/dbraw/zinc/20/88/73/807208873.db2.gz LCLACYFZGSGTPG-BPLDGKMQSA-N 2 1 268.470 3.006 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(N)cc[nH+]c2c1 ZINC001167755009 807243920 /nfs/dbraw/zinc/24/39/20/807243920.db2.gz YKBUNWKLQVRQHC-CQSZACIVSA-N 2 1 298.434 3.493 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC(=O)c1ccccc1 ZINC001167842436 807261580 /nfs/dbraw/zinc/26/15/80/807261580.db2.gz XIDVEVQMYWRZMB-INIZCTEOSA-N 2 1 290.451 3.312 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167890427 807267114 /nfs/dbraw/zinc/26/71/14/807267114.db2.gz CVMXZSNHICWKPN-VQFNDLOPSA-N 2 1 270.420 3.039 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001167896971 807268859 /nfs/dbraw/zinc/26/88/59/807268859.db2.gz GVVLRDIGEVKBID-FTWQHDNSSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001167896971 807268864 /nfs/dbraw/zinc/26/88/64/807268864.db2.gz GVVLRDIGEVKBID-FTWQHDNSSA-N 2 1 284.447 3.428 20 0 CGADMP [NH2+]=C(Nc1ccc(F)c2ccccc12)SCC[NH3+] ZINC001167913524 807272239 /nfs/dbraw/zinc/27/22/39/807272239.db2.gz BFPASCFCHROBQP-UHFFFAOYSA-N 2 1 263.341 3.017 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918012 807273772 /nfs/dbraw/zinc/27/37/72/807273772.db2.gz FAYBLYBTUGINER-LSZYHPAVSA-N 2 1 262.441 3.299 20 0 CGADMP CC1([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001167919300 807275381 /nfs/dbraw/zinc/27/53/81/807275381.db2.gz XUPJWAOLVQITKB-BCDXTJNWSA-N 2 1 284.447 3.429 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@@H](C)C1 ZINC001168094518 807310906 /nfs/dbraw/zinc/31/09/06/807310906.db2.gz VEJOMTZRFMOMTD-OTRWWLKZSA-N 2 1 282.472 3.314 20 0 CGADMP CC(C)[N@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140638 807320142 /nfs/dbraw/zinc/32/01/42/807320142.db2.gz AJDXWIYGNSFKST-UHFFFAOYSA-N 2 1 260.425 3.034 20 0 CGADMP CC(C)[N@@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140638 807320151 /nfs/dbraw/zinc/32/01/51/807320151.db2.gz AJDXWIYGNSFKST-UHFFFAOYSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@H]1CC([NH+]2CCC([N@@H+](C)C3CC3)CC2)C[C@H](C)C1 ZINC001258171263 807338449 /nfs/dbraw/zinc/33/84/49/807338449.db2.gz PQORRHTVCGKTDE-ZIAGYGMSSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001168189628 807340383 /nfs/dbraw/zinc/34/03/83/807340383.db2.gz UACZASSHUMYRGJ-ZDUSSCGKSA-N 2 1 289.810 3.026 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001168189628 807340392 /nfs/dbraw/zinc/34/03/92/807340392.db2.gz UACZASSHUMYRGJ-ZDUSSCGKSA-N 2 1 289.810 3.026 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258173287 807340983 /nfs/dbraw/zinc/34/09/83/807340983.db2.gz ZDHBLUJXRCXUFR-OWCLPIDISA-N 2 1 278.440 3.168 20 0 CGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)Cc2ccco2)CC1 ZINC001258177084 807343746 /nfs/dbraw/zinc/34/37/46/807343746.db2.gz LUVBNNLYVYYBHR-HNNXBMFYSA-N 2 1 299.418 3.173 20 0 CGADMP CC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001168199858 807346881 /nfs/dbraw/zinc/34/68/81/807346881.db2.gz XMYJTQSIBZBYHS-VXSNREPFSA-N 2 1 250.430 3.170 20 0 CGADMP CC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001168199858 807346887 /nfs/dbraw/zinc/34/68/87/807346887.db2.gz XMYJTQSIBZBYHS-VXSNREPFSA-N 2 1 250.430 3.170 20 0 CGADMP CC1CCC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC1 ZINC001168204274 807348491 /nfs/dbraw/zinc/34/84/91/807348491.db2.gz HMYJFHAGYATOKY-UHFFFAOYSA-N 3 1 283.504 3.040 20 0 CGADMP CSCC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001258207285 807363526 /nfs/dbraw/zinc/36/35/26/807363526.db2.gz CNDNMZVLMZMHOQ-CABCVRRESA-N 2 1 280.481 3.225 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cccs2)CC1 ZINC001168323177 807383380 /nfs/dbraw/zinc/38/33/80/807383380.db2.gz SZYHWDLYGKSHFS-UHFFFAOYSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)C1CCC([NH+](C)C)CC1 ZINC001168329422 807387031 /nfs/dbraw/zinc/38/70/31/807387031.db2.gz TUTJPABGWTVYSE-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP Cc1cc(F)cc(C)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168355855 807391738 /nfs/dbraw/zinc/39/17/38/807391738.db2.gz CSAAECBBQBTCIT-UHFFFAOYSA-N 2 1 290.426 3.407 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168379661 807396526 /nfs/dbraw/zinc/39/65/26/807396526.db2.gz NIVSBUYUMAAEOO-CQSZACIVSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389637 807400863 /nfs/dbraw/zinc/40/08/63/807400863.db2.gz VBXODVVPKJPRNC-GORDUTHDSA-N 2 1 299.462 3.291 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001258321154 807408359 /nfs/dbraw/zinc/40/83/59/807408359.db2.gz HWJRUUYBZVGRDH-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168443562 807417800 /nfs/dbraw/zinc/41/78/00/807417800.db2.gz CHZYUFMIGWQEIS-SFHVURJKSA-N 2 1 290.426 3.099 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168443562 807417801 /nfs/dbraw/zinc/41/78/01/807417801.db2.gz CHZYUFMIGWQEIS-SFHVURJKSA-N 2 1 290.426 3.099 20 0 CGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC001258451379 807458242 /nfs/dbraw/zinc/45/82/42/807458242.db2.gz LHUNQQQFGQVKGS-AWEZNQCLSA-N 2 1 273.424 3.137 20 0 CGADMP C[C@H](CC1CC1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258453094 807458518 /nfs/dbraw/zinc/45/85/18/807458518.db2.gz IQSFJBHRUDVSKT-CYBMUJFWSA-N 2 1 276.399 3.264 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258663359 807531774 /nfs/dbraw/zinc/53/17/74/807531774.db2.gz RFNOJOHKQBWQHP-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258663359 807531782 /nfs/dbraw/zinc/53/17/82/807531782.db2.gz RFNOJOHKQBWQHP-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258663359 807531787 /nfs/dbraw/zinc/53/17/87/807531787.db2.gz RFNOJOHKQBWQHP-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)n1c[nH+]cc1CC[NH3+] ZINC001169050281 807559596 /nfs/dbraw/zinc/55/95/96/807559596.db2.gz OSUDCWNPXLJDAS-KRWDZBQOSA-N 2 1 271.408 3.214 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001169062040 807563669 /nfs/dbraw/zinc/56/36/69/807563669.db2.gz QDHSMXPLDOPWQI-RDJZCZTQSA-N 2 1 262.441 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)F)c1)C2 ZINC001169094025 807572936 /nfs/dbraw/zinc/57/29/36/807572936.db2.gz KCEWSEBBVOGBFT-QKDCVEJESA-N 2 1 280.362 3.339 20 0 CGADMP Cc1ccc(C(C)(C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099167 807576267 /nfs/dbraw/zinc/57/62/67/807576267.db2.gz OJTBQQIRBDRSGJ-BJWYYQGGSA-N 2 1 272.436 3.445 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1cccc(F)c1)C2 ZINC001169100690 807576826 /nfs/dbraw/zinc/57/68/26/807576826.db2.gz LIRDNDLVCMFDIA-PHZGNYQRSA-N 2 1 276.399 3.276 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C)o1 ZINC001169108986 807579220 /nfs/dbraw/zinc/57/92/20/807579220.db2.gz XMLQEIZFWQIAQD-LXTVHRRPSA-N 2 1 262.397 3.254 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)o1 ZINC001169108986 807579227 /nfs/dbraw/zinc/57/92/27/807579227.db2.gz XMLQEIZFWQIAQD-LXTVHRRPSA-N 2 1 262.397 3.254 20 0 CGADMP Cc1cncc([C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001169123330 807584666 /nfs/dbraw/zinc/58/46/66/807584666.db2.gz JJCYABJKAJCUDD-XMTFNYHQSA-N 2 1 285.435 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001169123655 807584993 /nfs/dbraw/zinc/58/49/93/807584993.db2.gz LXACOYZJQABJKB-JJTUDDRGSA-N 2 1 290.838 3.411 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169145698 807593338 /nfs/dbraw/zinc/59/33/38/807593338.db2.gz NIPAJVMDSHSRFC-LLLHUVSDSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145698 807593342 /nfs/dbraw/zinc/59/33/42/807593342.db2.gz NIPAJVMDSHSRFC-LLLHUVSDSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145698 807593346 /nfs/dbraw/zinc/59/33/46/807593346.db2.gz NIPAJVMDSHSRFC-LLLHUVSDSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1C ZINC001169154325 807596883 /nfs/dbraw/zinc/59/68/83/807596883.db2.gz WSZZRAXVEMFIRW-SUMWQHHRSA-N 2 1 291.439 3.354 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258761037 807598443 /nfs/dbraw/zinc/59/84/43/807598443.db2.gz GSBPQAXGNSVKOQ-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@@H](CCC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258761037 807598447 /nfs/dbraw/zinc/59/84/47/807598447.db2.gz GSBPQAXGNSVKOQ-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@@H](CCC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258761037 807598451 /nfs/dbraw/zinc/59/84/51/807598451.db2.gz GSBPQAXGNSVKOQ-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cncc(Cl)c2)CC1 ZINC001258770962 807603694 /nfs/dbraw/zinc/60/36/94/807603694.db2.gz RYVXAUVILBBTQD-GFCCVEGCSA-N 2 1 281.831 3.260 20 0 CGADMP CCCN1CCC([N@@H+](CC)Cc2ccc(OC)cc2)CC1 ZINC001258775806 807606244 /nfs/dbraw/zinc/60/62/44/807606244.db2.gz FSAXJXIRINBTDP-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[NH+]1CCC([N@@H+](CC)Cc2ccc(OC)cc2)CC1 ZINC001258775806 807606251 /nfs/dbraw/zinc/60/62/51/807606251.db2.gz FSAXJXIRINBTDP-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CC23CCC(F)(F)CC3)CC1 ZINC001169240396 807612218 /nfs/dbraw/zinc/61/22/18/807612218.db2.gz HATQQOHWJWWRNM-ZDUSSCGKSA-N 2 1 272.383 3.028 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001169241333 807613358 /nfs/dbraw/zinc/61/33/58/807613358.db2.gz VCFCVYLUZBLPGQ-UHFFFAOYSA-N 2 1 290.426 3.365 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001169246684 807614539 /nfs/dbraw/zinc/61/45/39/807614539.db2.gz UUYBGJUXDDAPIH-CQSZACIVSA-N 2 1 258.409 3.090 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001169246684 807614542 /nfs/dbraw/zinc/61/45/42/807614542.db2.gz UUYBGJUXDDAPIH-CQSZACIVSA-N 2 1 258.409 3.090 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001258848409 807658346 /nfs/dbraw/zinc/65/83/46/807658346.db2.gz NSOSVTNDYWKJNX-IBGZPJMESA-N 2 1 298.474 3.425 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001258848409 807658349 /nfs/dbraw/zinc/65/83/49/807658349.db2.gz NSOSVTNDYWKJNX-IBGZPJMESA-N 2 1 298.474 3.425 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001258908027 807672039 /nfs/dbraw/zinc/67/20/39/807672039.db2.gz QGZMCRNTVTUZPG-KKUMJFAQSA-N 2 1 276.415 3.269 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001258908032 807672732 /nfs/dbraw/zinc/67/27/32/807672732.db2.gz QGZMCRNTVTUZPG-ZNMIVQPWSA-N 2 1 276.415 3.269 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H](F)C1 ZINC001258907976 807672863 /nfs/dbraw/zinc/67/28/63/807672863.db2.gz PGKMEHQDCFODTC-GJZGRUSLSA-N 2 1 258.425 3.321 20 0 CGADMP C[NH+](C)CCOc1cccc(Nc2c[nH+]c3ccccn23)c1 ZINC001212803990 815142853 /nfs/dbraw/zinc/14/28/53/815142853.db2.gz GOQBMWXTGXOGGK-UHFFFAOYSA-N 2 1 296.374 3.018 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1N(C)C(C)(C)C[NH3+] ZINC001170060577 807743227 /nfs/dbraw/zinc/74/32/27/807743227.db2.gz RTRBLVQOWXOKKD-UHFFFAOYSA-N 2 1 275.440 3.159 20 0 CGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 ZINC001170115956 807762907 /nfs/dbraw/zinc/76/29/07/807762907.db2.gz BWJJSHRXNJEFJP-LSDHHAIUSA-N 2 1 288.435 3.134 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001170117372 807764275 /nfs/dbraw/zinc/76/42/75/807764275.db2.gz KUTJNXWAFGTDIW-XJKSGUPXSA-N 2 1 276.399 3.264 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC001170145606 807775071 /nfs/dbraw/zinc/77/50/71/807775071.db2.gz UVJXAXPORXFGEJ-GOEBONIOSA-N 2 1 252.446 3.227 20 0 CGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001261836578 807793033 /nfs/dbraw/zinc/79/30/33/807793033.db2.gz GZOACQSYZJZZBD-PBHICJAKSA-N 2 1 290.426 3.393 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@H](CC)C2)CC1 ZINC001170246351 807802774 /nfs/dbraw/zinc/80/27/74/807802774.db2.gz UCHXUUKZBOSKAL-DLBZAZTESA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]1CCN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC001262671440 807892965 /nfs/dbraw/zinc/89/29/65/807892965.db2.gz DXIWADSURHIFLX-INIZCTEOSA-N 2 1 281.403 3.182 20 0 CGADMP C[C@@H]([NH3+])CCNc1[nH+]ccc2ccn(Cc3ccccc3)c21 ZINC001170890294 807926142 /nfs/dbraw/zinc/92/61/42/807926142.db2.gz WAXHLCCQZJXQKI-CQSZACIVSA-N 2 1 294.402 3.234 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccnc1 ZINC001171613286 808105044 /nfs/dbraw/zinc/10/50/44/808105044.db2.gz IIYLRCIRRGLQFF-ZDUSSCGKSA-N 2 1 275.440 3.384 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001171658197 808114365 /nfs/dbraw/zinc/11/43/65/808114365.db2.gz PNZDIQMVMHBIJQ-AEFFLSMTSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@H]1C[C@@H](Nc2cccc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171724866 808125789 /nfs/dbraw/zinc/12/57/89/808125789.db2.gz DGBSPJOZYPMQRI-HNAYVOBHSA-N 2 1 295.430 3.220 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171774776 808135786 /nfs/dbraw/zinc/13/57/86/808135786.db2.gz DRIMTUKGTXNBDP-ZBFHGGJFSA-N 2 1 290.426 3.147 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3cc(C[NH3+])ccc31)C2 ZINC001172100988 808171279 /nfs/dbraw/zinc/17/12/79/808171279.db2.gz VQVQXEURLBZEDK-FVQHAEBGSA-N 2 1 283.419 3.288 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3ccccc3n1)C2 ZINC001172100514 808172435 /nfs/dbraw/zinc/17/24/35/808172435.db2.gz DDPAUXHNLZRVJH-NNZMDNLPSA-N 2 1 295.430 3.340 20 0 CGADMP Cn1ccc2cc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc21 ZINC001172099121 808172555 /nfs/dbraw/zinc/17/25/55/808172555.db2.gz IWOOJPFNBFQRJV-NNZMDNLPSA-N 2 1 297.446 3.283 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172099487 808172724 /nfs/dbraw/zinc/17/27/24/808172724.db2.gz IMBYAWISIQCMLH-BJWYYQGGSA-N 2 1 258.409 3.100 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001172108732 808175997 /nfs/dbraw/zinc/17/59/97/808175997.db2.gz DOHAROQQLLVYGE-SFNKJDCFSA-N 2 1 299.462 3.446 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172107197 808176302 /nfs/dbraw/zinc/17/63/02/808176302.db2.gz UNQZLSOLYDWLNU-ZJPYXAASSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172107197 808176305 /nfs/dbraw/zinc/17/63/05/808176305.db2.gz UNQZLSOLYDWLNU-ZJPYXAASSA-N 2 1 287.451 3.384 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC001172107431 808176993 /nfs/dbraw/zinc/17/69/93/808176993.db2.gz XKUBCSDLRZUJRH-DMRZNYOFSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC001172107431 808176996 /nfs/dbraw/zinc/17/69/96/808176996.db2.gz XKUBCSDLRZUJRH-DMRZNYOFSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccccn1)C2 ZINC001172120126 808183515 /nfs/dbraw/zinc/18/35/15/808183515.db2.gz CTOFGELYAGWYNG-MUQADHOPSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1ccccn1)C2 ZINC001172120126 808183518 /nfs/dbraw/zinc/18/35/18/808183518.db2.gz CTOFGELYAGWYNG-MUQADHOPSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1ccccn1)C2 ZINC001172120126 808183521 /nfs/dbraw/zinc/18/35/21/808183521.db2.gz CTOFGELYAGWYNG-MUQADHOPSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001172122226 808183610 /nfs/dbraw/zinc/18/36/10/808183610.db2.gz YABRPLXTACHNBQ-CRWXNKLISA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001172122226 808183614 /nfs/dbraw/zinc/18/36/14/808183614.db2.gz YABRPLXTACHNBQ-CRWXNKLISA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001172122226 808183615 /nfs/dbraw/zinc/18/36/15/808183615.db2.gz YABRPLXTACHNBQ-CRWXNKLISA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001172122226 808183619 /nfs/dbraw/zinc/18/36/19/808183619.db2.gz YABRPLXTACHNBQ-CRWXNKLISA-N 2 1 290.373 3.071 20 0 CGADMP CC[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129417 808185403 /nfs/dbraw/zinc/18/54/03/808185403.db2.gz ZNEQJWMBWDMIOS-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129417 808185404 /nfs/dbraw/zinc/18/54/04/808185404.db2.gz ZNEQJWMBWDMIOS-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129417 808185408 /nfs/dbraw/zinc/18/54/08/808185408.db2.gz ZNEQJWMBWDMIOS-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129417 808185411 /nfs/dbraw/zinc/18/54/11/808185411.db2.gz ZNEQJWMBWDMIOS-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP CC1(C)C[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172279166 808212322 /nfs/dbraw/zinc/21/23/22/808212322.db2.gz BYURLYDHUUDMLY-XIRDDKMYSA-N 2 1 294.483 3.459 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172390497 808281405 /nfs/dbraw/zinc/28/14/05/808281405.db2.gz MMWXHJJCUBKZCA-SFHVURJKSA-N 2 1 297.531 3.353 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172565850 808393042 /nfs/dbraw/zinc/39/30/42/808393042.db2.gz PEQFMTPKFXAAMR-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172565850 808393049 /nfs/dbraw/zinc/39/30/49/808393049.db2.gz PEQFMTPKFXAAMR-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172717211 808417479 /nfs/dbraw/zinc/41/74/79/808417479.db2.gz FAKUYEHSJMLLQU-KRWDZBQOSA-N 2 1 292.854 3.225 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)C1CCC2(CCCC2)CC1 ZINC001172727786 808423587 /nfs/dbraw/zinc/42/35/87/808423587.db2.gz XNLHLYWRLLYRNI-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001172840374 808454848 /nfs/dbraw/zinc/45/48/48/808454848.db2.gz BMMPSXCPERGULJ-GOSISDBHSA-N 2 1 284.447 3.069 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([N@@H+](C)C3CC3)CC1)CC2 ZINC001172841680 808456368 /nfs/dbraw/zinc/45/63/68/808456368.db2.gz HFDLOLFMCJLVEO-HXUWFJFHSA-N 2 1 298.474 3.411 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001172941221 808490309 /nfs/dbraw/zinc/49/03/09/808490309.db2.gz DNNNFXKEYIBQAO-XWTMOSNGSA-N 2 1 294.483 3.283 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001172941221 808490313 /nfs/dbraw/zinc/49/03/13/808490313.db2.gz DNNNFXKEYIBQAO-XWTMOSNGSA-N 2 1 294.483 3.283 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001172941221 808490320 /nfs/dbraw/zinc/49/03/20/808490320.db2.gz DNNNFXKEYIBQAO-XWTMOSNGSA-N 2 1 294.483 3.283 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001173236449 808546522 /nfs/dbraw/zinc/54/65/22/808546522.db2.gz XMSGCVBDYQLTEX-FZDIXFNVSA-N 2 1 286.463 3.395 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173270045 808575086 /nfs/dbraw/zinc/57/50/86/808575086.db2.gz MFWBTWDDHLJLSG-YFHUEUNASA-N 2 1 294.483 3.316 20 0 CGADMP CCSC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001173294126 808593635 /nfs/dbraw/zinc/59/36/35/808593635.db2.gz CLZXXAJJCKYAQB-LSDHHAIUSA-N 2 1 280.481 3.225 20 0 CGADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(Cl)ccc32)C1 ZINC001173350430 808627195 /nfs/dbraw/zinc/62/71/95/808627195.db2.gz OFCNUMHEAYCMSI-CQSZACIVSA-N 2 1 291.826 3.063 20 0 CGADMP CN1C[C@H]2C[C@@H](C1)[N@@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001274880948 808891652 /nfs/dbraw/zinc/89/16/52/808891652.db2.gz ZUHWNKAQLBMMGV-AEFFLSMTSA-N 2 1 284.447 3.134 20 0 CGADMP Cc1cc(F)cc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001274998965 808898166 /nfs/dbraw/zinc/89/81/66/808898166.db2.gz JQCPCPUWEXRYNI-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001274998965 808898172 /nfs/dbraw/zinc/89/81/72/808898172.db2.gz JQCPCPUWEXRYNI-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001274998965 808898180 /nfs/dbraw/zinc/89/81/80/808898180.db2.gz JQCPCPUWEXRYNI-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001274998965 808898188 /nfs/dbraw/zinc/89/81/88/808898188.db2.gz JQCPCPUWEXRYNI-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001274998965 808898194 /nfs/dbraw/zinc/89/81/94/808898194.db2.gz JQCPCPUWEXRYNI-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001275045626 808900181 /nfs/dbraw/zinc/90/01/81/808900181.db2.gz QMURGUIBAOJIQY-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001275045626 808900186 /nfs/dbraw/zinc/90/01/86/808900186.db2.gz QMURGUIBAOJIQY-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275045626 808900190 /nfs/dbraw/zinc/90/01/90/808900190.db2.gz QMURGUIBAOJIQY-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275045626 808900195 /nfs/dbraw/zinc/90/01/95/808900195.db2.gz QMURGUIBAOJIQY-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275117518 808913232 /nfs/dbraw/zinc/91/32/32/808913232.db2.gz ICRABNOQDIWWKH-UHFFFAOYSA-N 2 1 275.440 3.103 20 0 CGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)ccc1Cl ZINC001275444992 808937672 /nfs/dbraw/zinc/93/76/72/808937672.db2.gz SMFLKSWKQJYHAN-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1Cl ZINC001275444992 808937678 /nfs/dbraw/zinc/93/76/78/808937678.db2.gz SMFLKSWKQJYHAN-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1Cl ZINC001275444992 808937684 /nfs/dbraw/zinc/93/76/84/808937684.db2.gz SMFLKSWKQJYHAN-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2occc2c1 ZINC001275660808 808955351 /nfs/dbraw/zinc/95/53/51/808955351.db2.gz XMLBKCNVTFBXSO-MQVJKMGUSA-N 2 1 270.376 3.148 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2occc2c1 ZINC001275660808 808955358 /nfs/dbraw/zinc/95/53/58/808955358.db2.gz XMLBKCNVTFBXSO-MQVJKMGUSA-N 2 1 270.376 3.148 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4cn3)C[C@H]2CC1 ZINC001275890773 808974505 /nfs/dbraw/zinc/97/45/05/808974505.db2.gz KZMKYFVEOVLIAL-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4cn3)C[C@H]2CC1 ZINC001275890773 808974510 /nfs/dbraw/zinc/97/45/10/808974510.db2.gz KZMKYFVEOVLIAL-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4ccccc4cn3)C[C@H]2CC1 ZINC001275890773 808974514 /nfs/dbraw/zinc/97/45/14/808974514.db2.gz KZMKYFVEOVLIAL-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4occc43)C[C@H]2CC1 ZINC001276790383 809031098 /nfs/dbraw/zinc/03/10/98/809031098.db2.gz ROZXFISFYCIUMF-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4occc43)C[C@H]2CC1 ZINC001276790383 809031105 /nfs/dbraw/zinc/03/11/05/809031105.db2.gz ROZXFISFYCIUMF-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4occc43)C[C@H]2CC1 ZINC001276790383 809031110 /nfs/dbraw/zinc/03/11/10/809031110.db2.gz ROZXFISFYCIUMF-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cs1 ZINC001277310842 809068469 /nfs/dbraw/zinc/06/84/69/809068469.db2.gz VOCXTOWZLNJCIP-UHFFFAOYSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1cnc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(C)c1 ZINC001278306609 809125381 /nfs/dbraw/zinc/12/53/81/809125381.db2.gz KLMHWZLRYBNPHG-UHFFFAOYSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1c[nH+]c(Nc2cccc(C[NH+]3CCCC3)c2)c(N)c1 ZINC001176194267 809645284 /nfs/dbraw/zinc/64/52/84/809645284.db2.gz AKWOKRDLWIIDSG-UHFFFAOYSA-N 2 1 282.391 3.312 20 0 CGADMP Cn1c2ccccc2[nH+]c1Nc1ccc(C[NH+](C)C)cc1 ZINC001176289635 809662436 /nfs/dbraw/zinc/66/24/36/809662436.db2.gz MYBABJYAWUBUCW-UHFFFAOYSA-N 2 1 280.375 3.379 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001177209693 809787461 /nfs/dbraw/zinc/78/74/61/809787461.db2.gz QYAIIKNDNCTPGU-XHSDSOJGSA-N 2 1 284.513 3.371 20 0 CGADMP COCCC1(C[NH2+]CC[N@@H+]2CCCC2(C)C)CCCCC1 ZINC001178934891 809895224 /nfs/dbraw/zinc/89/52/24/809895224.db2.gz VAXVGTHFFHDYDI-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP COCCC1(C[NH2+]CC[N@H+]2CCCC2(C)C)CCCCC1 ZINC001178934891 809895228 /nfs/dbraw/zinc/89/52/28/809895228.db2.gz VAXVGTHFFHDYDI-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP Cc1ccc(CCC[NH2+]Cc2c[nH+]ccc2N(C)C)c(C)c1 ZINC001179347817 809917874 /nfs/dbraw/zinc/91/78/74/809917874.db2.gz FKTSSTKHDWJMNT-UHFFFAOYSA-N 2 1 297.446 3.487 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001179818420 809948561 /nfs/dbraw/zinc/94/85/61/809948561.db2.gz YGNAUVBZYYUCBQ-RCCFBDPRSA-N 2 1 272.436 3.069 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001179824474 809949198 /nfs/dbraw/zinc/94/91/98/809949198.db2.gz AYPZILXVMJSYIX-ZDUSSCGKSA-N 2 1 252.377 3.036 20 0 CGADMP CCCCC[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001179925993 809958990 /nfs/dbraw/zinc/95/89/90/809958990.db2.gz VBQQGSIRTJOPOJ-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)C1(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC001181515631 810057531 /nfs/dbraw/zinc/05/75/31/810057531.db2.gz VFPFKLZCFVZCKB-MRXNPFEDSA-N 2 1 264.457 3.086 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC001182152663 810096065 /nfs/dbraw/zinc/09/60/65/810096065.db2.gz QTYTWNBQCNTTRW-NVXWUHKLSA-N 2 1 274.452 3.426 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC001182152663 810096068 /nfs/dbraw/zinc/09/60/68/810096068.db2.gz QTYTWNBQCNTTRW-NVXWUHKLSA-N 2 1 274.452 3.426 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001183370657 810146220 /nfs/dbraw/zinc/14/62/20/810146220.db2.gz IQTQVZQFTNIRBR-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001183370657 810146221 /nfs/dbraw/zinc/14/62/21/810146221.db2.gz IQTQVZQFTNIRBR-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001183370657 810146222 /nfs/dbraw/zinc/14/62/22/810146222.db2.gz IQTQVZQFTNIRBR-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001183370657 810146223 /nfs/dbraw/zinc/14/62/23/810146223.db2.gz IQTQVZQFTNIRBR-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCC3(C)C)C[C@@H]2C1 ZINC001196781929 811366782 /nfs/dbraw/zinc/36/67/82/811366782.db2.gz KXOHSUMLRLENJM-OWCLPIDISA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCCC3(C)C)C[C@@H]2C1 ZINC001196781929 811366792 /nfs/dbraw/zinc/36/67/92/811366792.db2.gz KXOHSUMLRLENJM-OWCLPIDISA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCC3(C)C)C[C@@H]2C1 ZINC001196781929 811366801 /nfs/dbraw/zinc/36/68/01/811366801.db2.gz KXOHSUMLRLENJM-OWCLPIDISA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CC3(CO2)CCCCC3)CC1 ZINC001196982354 811390076 /nfs/dbraw/zinc/39/00/76/811390076.db2.gz MLSXGRVNKXZSPH-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)C[N@@H+](CCCOC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001197194200 811405038 /nfs/dbraw/zinc/40/50/38/811405038.db2.gz KGELMRQHNRZORO-UHFFFAOYSA-N 2 1 298.515 3.491 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2C)C1 ZINC001199843590 811602833 /nfs/dbraw/zinc/60/28/33/811602833.db2.gz PIJOMCAFZAORLF-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001200257405 811656174 /nfs/dbraw/zinc/65/61/74/811656174.db2.gz YUHIXUIKGDJPAK-MRXNPFEDSA-N 2 1 274.452 3.459 20 0 CGADMP CSc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC001200715428 811737935 /nfs/dbraw/zinc/73/79/35/811737935.db2.gz ZXOPZTXKTRHVBO-UHFFFAOYSA-N 2 1 289.448 3.483 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001200863745 811758710 /nfs/dbraw/zinc/75/87/10/811758710.db2.gz IMNSPYAPVBZBJU-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001200863745 811758714 /nfs/dbraw/zinc/75/87/14/811758714.db2.gz IMNSPYAPVBZBJU-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201616680 811921970 /nfs/dbraw/zinc/92/19/70/811921970.db2.gz CVUNNSVZKWHQMI-HNNXBMFYSA-N 2 1 292.471 3.146 20 0 CGADMP CC(C)CC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201616680 811921973 /nfs/dbraw/zinc/92/19/73/811921973.db2.gz CVUNNSVZKWHQMI-HNNXBMFYSA-N 2 1 292.471 3.146 20 0 CGADMP CC(C)CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201616680 811921980 /nfs/dbraw/zinc/92/19/80/811921980.db2.gz CVUNNSVZKWHQMI-HNNXBMFYSA-N 2 1 292.471 3.146 20 0 CGADMP CC(C)CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201616680 811921986 /nfs/dbraw/zinc/92/19/86/811921986.db2.gz CVUNNSVZKWHQMI-HNNXBMFYSA-N 2 1 292.471 3.146 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCC3)CC2)c(C)c1 ZINC001203740167 812447393 /nfs/dbraw/zinc/44/73/93/812447393.db2.gz DURCSXKSWRDBQP-UHFFFAOYSA-N 2 1 272.436 3.282 20 0 CGADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001203822467 812469833 /nfs/dbraw/zinc/46/98/33/812469833.db2.gz RCDUTHRLWMUJTM-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP Oc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203860313 812475173 /nfs/dbraw/zinc/47/51/73/812475173.db2.gz KWGWFHBCLLDBQL-KRWDZBQOSA-N 2 1 288.435 3.233 20 0 CGADMP Oc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203860313 812475176 /nfs/dbraw/zinc/47/51/76/812475176.db2.gz KWGWFHBCLLDBQL-KRWDZBQOSA-N 2 1 288.435 3.233 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]2C1 ZINC001203982851 812508880 /nfs/dbraw/zinc/50/88/80/812508880.db2.gz CNOZYOAGLCSGRX-AEFFLSMTSA-N 2 1 280.415 3.223 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@@H]2C1 ZINC001203982851 812508886 /nfs/dbraw/zinc/50/88/86/812508886.db2.gz CNOZYOAGLCSGRX-AEFFLSMTSA-N 2 1 280.415 3.223 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]2C1 ZINC001203982851 812508891 /nfs/dbraw/zinc/50/88/91/812508891.db2.gz CNOZYOAGLCSGRX-AEFFLSMTSA-N 2 1 280.415 3.223 20 0 CGADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001204070493 812540331 /nfs/dbraw/zinc/54/03/31/812540331.db2.gz NCLNQMVINXVUQT-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001204070493 812540335 /nfs/dbraw/zinc/54/03/35/812540335.db2.gz NCLNQMVINXVUQT-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001204070493 812540338 /nfs/dbraw/zinc/54/03/38/812540338.db2.gz NCLNQMVINXVUQT-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001204070493 812540339 /nfs/dbraw/zinc/54/03/39/812540339.db2.gz NCLNQMVINXVUQT-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[NH+](C)C)cc1 ZINC001204631591 812696388 /nfs/dbraw/zinc/69/63/88/812696388.db2.gz IRIQQAAXFGPIQS-UHFFFAOYSA-N 2 1 269.392 3.185 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735351 812720619 /nfs/dbraw/zinc/72/06/19/812720619.db2.gz QBAHJKHHJINOFG-UHFFFAOYSA-N 2 1 284.403 3.398 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204782822 812735446 /nfs/dbraw/zinc/73/54/46/812735446.db2.gz KMXRLCSSZHUJHH-QGZVFWFLSA-N 2 1 254.377 3.071 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204782822 812735449 /nfs/dbraw/zinc/73/54/49/812735449.db2.gz KMXRLCSSZHUJHH-QGZVFWFLSA-N 2 1 254.377 3.071 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204903996 812771262 /nfs/dbraw/zinc/77/12/62/812771262.db2.gz JKMBMIKEKVFFEK-MAUKXSAKSA-N 2 1 286.463 3.412 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204903996 812771268 /nfs/dbraw/zinc/77/12/68/812771268.db2.gz JKMBMIKEKVFFEK-MAUKXSAKSA-N 2 1 286.463 3.412 20 0 CGADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccc(C4CCCCC4)cc3)C[C@H]21 ZINC001204918866 812775855 /nfs/dbraw/zinc/77/58/55/812775855.db2.gz OFUGCUHWRULUGQ-LDLYASANSA-N 2 1 284.447 3.371 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@](C)([NH3+])C1)c1ccccc1 ZINC001204938089 812787006 /nfs/dbraw/zinc/78/70/06/812787006.db2.gz IIGLXNKZMNYLRX-QGZVFWFLSA-N 2 1 260.425 3.168 20 0 CGADMP CN(C)c1ccc2cc(C[N@@H+]3CCC[C@](C)([NH3+])C3)ccc2c1 ZINC001204947362 812793139 /nfs/dbraw/zinc/79/31/39/812793139.db2.gz XTQJVIOXKVULRP-IBGZPJMESA-N 2 1 297.446 3.219 20 0 CGADMP CN(C)c1ccc2cc(C[N@H+]3CCC[C@](C)([NH3+])C3)ccc2c1 ZINC001204947362 812793144 /nfs/dbraw/zinc/79/31/44/812793144.db2.gz XTQJVIOXKVULRP-IBGZPJMESA-N 2 1 297.446 3.219 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)cccc2Cl)C1 ZINC001205009505 812822144 /nfs/dbraw/zinc/82/21/44/812822144.db2.gz VLJQZQHCIZWXSQ-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)cccc2Cl)C1 ZINC001205009505 812822152 /nfs/dbraw/zinc/82/21/52/812822152.db2.gz VLJQZQHCIZWXSQ-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2sccc21 ZINC001205083197 812853130 /nfs/dbraw/zinc/85/31/30/812853130.db2.gz QGHLMBCJTBNJSV-AAEUAGOBSA-N 2 1 260.406 3.213 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2sccc21 ZINC001205083197 812853126 /nfs/dbraw/zinc/85/31/26/812853126.db2.gz QGHLMBCJTBNJSV-AAEUAGOBSA-N 2 1 260.406 3.213 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(F)c3ccccc23)CC1 ZINC001205101503 812864927 /nfs/dbraw/zinc/86/49/27/812864927.db2.gz HJHMPLRRJGKBLU-AWEZNQCLSA-N 2 1 272.367 3.292 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001205101452 812865718 /nfs/dbraw/zinc/86/57/18/812865718.db2.gz FMZXJJTYPBCCDF-OAHLLOKOSA-N 2 1 287.432 3.123 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1C(C)C ZINC001205109410 812871597 /nfs/dbraw/zinc/87/15/97/812871597.db2.gz GHSHZOXGTDIRFH-MRXNPFEDSA-N 2 1 290.451 3.440 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001205116551 812872997 /nfs/dbraw/zinc/87/29/97/812872997.db2.gz CHJXDZNZOCGOIE-AWEZNQCLSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001205116551 812873009 /nfs/dbraw/zinc/87/30/09/812873009.db2.gz CHJXDZNZOCGOIE-AWEZNQCLSA-N 2 1 289.810 3.201 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1Cl ZINC001205117943 812873958 /nfs/dbraw/zinc/87/39/58/812873958.db2.gz ZIXSPEGAVHHISQ-AWEZNQCLSA-N 2 1 296.842 3.440 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1Cl ZINC001205117943 812873966 /nfs/dbraw/zinc/87/39/66/812873966.db2.gz ZIXSPEGAVHHISQ-AWEZNQCLSA-N 2 1 296.842 3.440 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117776 812874031 /nfs/dbraw/zinc/87/40/31/812874031.db2.gz UWCVTSWXQRHAKM-NSHDSACASA-N 2 1 284.856 3.375 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117776 812874038 /nfs/dbraw/zinc/87/40/38/812874038.db2.gz UWCVTSWXQRHAKM-NSHDSACASA-N 2 1 284.856 3.375 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1OC(C)C ZINC001205117565 812875005 /nfs/dbraw/zinc/87/50/05/812875005.db2.gz RJGIBOUAVMUMRU-INIZCTEOSA-N 2 1 276.424 3.095 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC001205117166 812875129 /nfs/dbraw/zinc/87/51/29/812875129.db2.gz MJKNZUXJGHGDAK-OAHLLOKOSA-N 2 1 270.376 3.260 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001205116917 812875357 /nfs/dbraw/zinc/87/53/57/812875357.db2.gz JCAZZOOOQJKVCU-AWEZNQCLSA-N 2 1 289.810 3.201 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130396 812881016 /nfs/dbraw/zinc/88/10/16/812881016.db2.gz DJTAPRLONPFOIN-AWEZNQCLSA-N 2 1 264.438 3.112 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001205263795 812920449 /nfs/dbraw/zinc/92/04/49/812920449.db2.gz CDAWJJXZAWVEBM-CQSZACIVSA-N 2 1 252.789 3.043 20 0 CGADMP Cc1csc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205264034 812922580 /nfs/dbraw/zinc/92/25/80/812922580.db2.gz GWUMMDLBLCFFLY-CYBMUJFWSA-N 2 1 272.845 3.413 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205264034 812922586 /nfs/dbraw/zinc/92/25/86/812922586.db2.gz GWUMMDLBLCFFLY-CYBMUJFWSA-N 2 1 272.845 3.413 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273437 812926362 /nfs/dbraw/zinc/92/63/62/812926362.db2.gz KXXRDLQYPXHWDC-MRXNPFEDSA-N 2 1 296.842 3.442 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273437 812926365 /nfs/dbraw/zinc/92/63/65/812926365.db2.gz KXXRDLQYPXHWDC-MRXNPFEDSA-N 2 1 296.842 3.442 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318319 812951398 /nfs/dbraw/zinc/95/13/98/812951398.db2.gz UCRPQKZHMSQGPV-WBVHZDCISA-N 2 1 290.451 3.199 20 0 CGADMP COc1ccc2cc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)ccc2c1 ZINC001205326049 812956220 /nfs/dbraw/zinc/95/62/20/812956220.db2.gz UCZGQHRZEAAWNH-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[NH2+]CC[C@@H]3C)ccc2c1 ZINC001205326049 812956223 /nfs/dbraw/zinc/95/62/23/812956223.db2.gz UCZGQHRZEAAWNH-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205332331 812958514 /nfs/dbraw/zinc/95/85/14/812958514.db2.gz OSFGEIQTLDEVIR-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205332331 812958518 /nfs/dbraw/zinc/95/85/18/812958518.db2.gz OSFGEIQTLDEVIR-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP c1ccc([C@H]2CC[N@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001205340671 812963630 /nfs/dbraw/zinc/96/36/30/812963630.db2.gz YKJYXEKLKXRSQE-SFHVURJKSA-N 2 1 284.447 3.256 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1C ZINC001205592796 813014534 /nfs/dbraw/zinc/01/45/34/813014534.db2.gz YLPDXSPZEVIKOL-KRWDZBQOSA-N 2 1 294.414 3.047 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205601357 813018065 /nfs/dbraw/zinc/01/80/65/813018065.db2.gz DTVFJGMQAREDPX-DGCLKSJQSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2sccc2Cl)CC[C@H]1C[NH3+] ZINC001205602564 813019291 /nfs/dbraw/zinc/01/92/91/813019291.db2.gz JSCLOHPLBDMXHK-QWRGUYRKSA-N 2 1 272.845 3.208 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205617457 813025483 /nfs/dbraw/zinc/02/54/83/813025483.db2.gz KBXDDYJHQKYIED-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205617458 813027585 /nfs/dbraw/zinc/02/75/85/813027585.db2.gz KBXDDYJHQKYIED-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(F)c23)CC[C@@H]1C[NH3+] ZINC001205616958 813027644 /nfs/dbraw/zinc/02/76/44/813027644.db2.gz HTFMOGUPZZDWPG-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)s1 ZINC001205628800 813034097 /nfs/dbraw/zinc/03/40/97/813034097.db2.gz WURZBBIQFXDAKQ-OLZOCXBDSA-N 2 1 266.454 3.117 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)cccc2n1 ZINC001205651445 813041880 /nfs/dbraw/zinc/04/18/80/813041880.db2.gz FGBKXHICLBDAPI-GDBMZVCRSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)CC[C@@H]1C[NH3+] ZINC001205651339 813042426 /nfs/dbraw/zinc/04/24/26/813042426.db2.gz CUAAHMNMPATCSK-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cnc1C1CC1 ZINC001205651939 813043320 /nfs/dbraw/zinc/04/33/20/813043320.db2.gz MDTSSJTVKVSQIS-GUYCJALGSA-N 2 1 287.451 3.074 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(O)cc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205654910 813044783 /nfs/dbraw/zinc/04/47/83/813044783.db2.gz YCWAVRJPCYEDHW-GDBMZVCRSA-N 2 1 298.430 3.352 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H](C)C(C)(C)C ZINC001205693237 813053470 /nfs/dbraw/zinc/05/34/70/813053470.db2.gz SCIKLDXQINLBRZ-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCC[C@@H]1C ZINC001205696274 813053860 /nfs/dbraw/zinc/05/38/60/813053860.db2.gz FZTUXJWKLKOAAY-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP Cc1cccc2c(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c[nH]c21 ZINC001205802985 813082649 /nfs/dbraw/zinc/08/26/49/813082649.db2.gz DRFNUVHVFNEHLF-SWLSCSKDSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2c(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c[nH]c21 ZINC001205802985 813082659 /nfs/dbraw/zinc/08/26/59/813082659.db2.gz DRFNUVHVFNEHLF-SWLSCSKDSA-N 2 1 271.408 3.036 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205803998 813086278 /nfs/dbraw/zinc/08/62/78/813086278.db2.gz LFCANOWAVJNIAW-ZBFHGGJFSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205803998 813086286 /nfs/dbraw/zinc/08/62/86/813086286.db2.gz LFCANOWAVJNIAW-ZBFHGGJFSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001205829121 813100752 /nfs/dbraw/zinc/10/07/52/813100752.db2.gz OBIUASMUMVDZID-QAPCUYQASA-N 2 1 283.419 3.037 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001205829121 813100754 /nfs/dbraw/zinc/10/07/54/813100754.db2.gz OBIUASMUMVDZID-QAPCUYQASA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001205845323 813105726 /nfs/dbraw/zinc/10/57/26/813105726.db2.gz ZPJITLNTPCAKTK-DOTOQJQBSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001205845323 813105729 /nfs/dbraw/zinc/10/57/29/813105729.db2.gz ZPJITLNTPCAKTK-DOTOQJQBSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1csc2ccccc12 ZINC001205901970 813124512 /nfs/dbraw/zinc/12/45/12/813124512.db2.gz GNFQWYOUSRNUEY-QWHCGFSZSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(Br)c1 ZINC001205903584 813126757 /nfs/dbraw/zinc/12/67/57/813126757.db2.gz QFRAGHCMFCXWFE-DGCLKSJQSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(Br)c1 ZINC001205903584 813126762 /nfs/dbraw/zinc/12/67/62/813126762.db2.gz QFRAGHCMFCXWFE-DGCLKSJQSA-N 2 1 297.240 3.008 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904898 813128214 /nfs/dbraw/zinc/12/82/14/813128214.db2.gz YBVWWFFIKCIJKM-GOEBONIOSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1C ZINC001205912743 813129173 /nfs/dbraw/zinc/12/91/73/813129173.db2.gz BXKGGKXIVQCDBI-CVEARBPZSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912912 813129558 /nfs/dbraw/zinc/12/95/58/813129558.db2.gz DWQSVDGABYILOU-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC001205981012 813151287 /nfs/dbraw/zinc/15/12/87/813151287.db2.gz BBCZAFBEZWYMJO-DLBZAZTESA-N 2 1 274.452 3.419 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205993177 813154930 /nfs/dbraw/zinc/15/49/30/813154930.db2.gz HLJBFLGQPJODDC-DZGCQCFKSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205994325 813155124 /nfs/dbraw/zinc/15/51/24/813155124.db2.gz KUSGJBIKLRJGHM-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CCC[C@H]1C[NH3+] ZINC001206002745 813161219 /nfs/dbraw/zinc/16/12/19/813161219.db2.gz AIDNISPTONGCCH-CABCVRRESA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(C)c1F ZINC001206013188 813165222 /nfs/dbraw/zinc/16/52/22/813165222.db2.gz QARJOLSEEYPKDZ-ZBFHGGJFSA-N 2 1 278.415 3.249 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc3cc[nH]c32)CCC[C@H]1C[NH3+] ZINC001206035088 813175244 /nfs/dbraw/zinc/17/52/44/813175244.db2.gz BSFXOYRPVVGZIM-JSGCOSHPSA-N 2 1 289.398 3.114 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Cl)CC[C@@H]1F ZINC001206165518 813222310 /nfs/dbraw/zinc/22/23/10/813222310.db2.gz NRSMFNWTLSWROQ-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC[C@@H]1F ZINC001206165518 813222313 /nfs/dbraw/zinc/22/23/13/813222313.db2.gz NRSMFNWTLSWROQ-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206183193 813230883 /nfs/dbraw/zinc/23/08/83/813230883.db2.gz GCAUHYVJATWDQD-HOTGVXAUSA-N 2 1 264.388 3.071 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206183193 813230885 /nfs/dbraw/zinc/23/08/85/813230885.db2.gz GCAUHYVJATWDQD-HOTGVXAUSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001206247105 813253970 /nfs/dbraw/zinc/25/39/70/813253970.db2.gz GEMAPIJYQHCMCV-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001206247105 813253977 /nfs/dbraw/zinc/25/39/77/813253977.db2.gz GEMAPIJYQHCMCV-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295840 813277099 /nfs/dbraw/zinc/27/70/99/813277099.db2.gz NZSKLFYRZBJENQ-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001206311608 813284551 /nfs/dbraw/zinc/28/45/51/813284551.db2.gz RIKJDPCPZYEZBO-IBGZPJMESA-N 2 1 298.430 3.496 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001206318089 813287193 /nfs/dbraw/zinc/28/71/93/813287193.db2.gz MJGIMOVTCJXSLM-ZDUSSCGKSA-N 2 1 290.329 3.249 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c12 ZINC001206326241 813290678 /nfs/dbraw/zinc/29/06/78/813290678.db2.gz LZUUTAUEICTMLR-LJQANCHMSA-N 2 1 297.446 3.494 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cccc2n1 ZINC001206335961 813294607 /nfs/dbraw/zinc/29/46/07/813294607.db2.gz INHPCAMRIHPMMU-LJQANCHMSA-N 2 1 297.446 3.494 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1C ZINC001206363630 813304404 /nfs/dbraw/zinc/30/44/04/813304404.db2.gz YUYRYMVPYSVITB-QGZVFWFLSA-N 2 1 278.415 3.265 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1C ZINC001206363630 813304410 /nfs/dbraw/zinc/30/44/10/813304410.db2.gz YUYRYMVPYSVITB-QGZVFWFLSA-N 2 1 278.415 3.265 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCCc2ccccc2)C1 ZINC001206542284 813343820 /nfs/dbraw/zinc/34/38/20/813343820.db2.gz XDJSUOYZRHHJAT-SFHVURJKSA-N 2 1 274.452 3.460 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541981 813344222 /nfs/dbraw/zinc/34/42/22/813344222.db2.gz OPIURSYJTKVIRM-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCc2ccccc2F)C1 ZINC001206541825 813345441 /nfs/dbraw/zinc/34/54/41/813345441.db2.gz LFBZSTOEEMBSQF-KRWDZBQOSA-N 2 1 278.415 3.209 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206548946 813348924 /nfs/dbraw/zinc/34/89/24/813348924.db2.gz KXCDSXZFQCJAID-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)ccc21 ZINC001206548786 813349481 /nfs/dbraw/zinc/34/94/81/813349481.db2.gz IZVFANMNRBNODL-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1C ZINC001206549807 813349572 /nfs/dbraw/zinc/34/95/72/813349572.db2.gz PZDQFLSATUTXLI-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC001206550169 813349680 /nfs/dbraw/zinc/34/96/80/813349680.db2.gz WYNSDDDNIHLAJW-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001206549544 813349712 /nfs/dbraw/zinc/34/97/12/813349712.db2.gz ONIQVWCLMGSAQV-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001206549544 813349718 /nfs/dbraw/zinc/34/97/18/813349718.db2.gz ONIQVWCLMGSAQV-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP CCOc1cc(F)cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206572049 813357720 /nfs/dbraw/zinc/35/77/20/813357720.db2.gz ABDFDDABFKSARX-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206572049 813357728 /nfs/dbraw/zinc/35/77/28/813357728.db2.gz ABDFDDABFKSARX-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cs1 ZINC001206580073 813361563 /nfs/dbraw/zinc/36/15/63/813361563.db2.gz BYKLWCUTEOEREO-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP COc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206579836 813361733 /nfs/dbraw/zinc/36/17/33/813361733.db2.gz AAXZPICJNRAXEV-HNNXBMFYSA-N 2 1 294.414 3.187 20 0 CGADMP COc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206579836 813361741 /nfs/dbraw/zinc/36/17/41/813361741.db2.gz AAXZPICJNRAXEV-HNNXBMFYSA-N 2 1 294.414 3.187 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206581005 813362297 /nfs/dbraw/zinc/36/22/97/813362297.db2.gz HCCVICYZRZPEPJ-QGZVFWFLSA-N 2 1 260.425 3.348 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589530 813365783 /nfs/dbraw/zinc/36/57/83/813365783.db2.gz HTRNAZKCUPSGRL-QGZVFWFLSA-N 2 1 278.415 3.487 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001206606310 813372362 /nfs/dbraw/zinc/37/23/62/813372362.db2.gz KCWGODMASAERIF-XHSDSOJGSA-N 2 1 250.430 3.040 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206606409 813372974 /nfs/dbraw/zinc/37/29/74/813372974.db2.gz NBQVHQZGKHKYGX-QGZVFWFLSA-N 2 1 290.451 3.426 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001206606876 813373659 /nfs/dbraw/zinc/37/36/59/813373659.db2.gz VKLNAXNNIRFOFV-OAHLLOKOSA-N 2 1 280.843 3.333 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001206616942 813375332 /nfs/dbraw/zinc/37/53/32/813375332.db2.gz UVYWYXKVUMYSHX-LBPRGKRZSA-N 2 1 291.826 3.382 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001206767450 813429943 /nfs/dbraw/zinc/42/99/43/813429943.db2.gz BPJMZVXHKMBOJJ-GOEBONIOSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206767624 813430771 /nfs/dbraw/zinc/43/07/71/813430771.db2.gz CNPSOOUHUFIKCW-WBVHZDCISA-N 2 1 290.451 3.281 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770143 813431953 /nfs/dbraw/zinc/43/19/53/813431953.db2.gz RQLHHURMJCWSMQ-CABCVRRESA-N 2 1 285.435 3.220 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206806193 813441969 /nfs/dbraw/zinc/44/19/69/813441969.db2.gz FWYCKBYSNDUVAB-VXGBXAGGSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206806193 813441973 /nfs/dbraw/zinc/44/19/73/813441973.db2.gz FWYCKBYSNDUVAB-VXGBXAGGSA-N 2 1 284.806 3.347 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001207283515 813534127 /nfs/dbraw/zinc/53/41/27/813534127.db2.gz ZTJRITFFQOGEBO-CQSZACIVSA-N 2 1 278.440 3.276 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001207282305 813534269 /nfs/dbraw/zinc/53/42/69/813534269.db2.gz HGBDYUMRWBZDDK-FMIVXFBMSA-N 2 1 260.425 3.219 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C/C=C/c1ccccc1 ZINC001207282305 813534273 /nfs/dbraw/zinc/53/42/73/813534273.db2.gz HGBDYUMRWBZDDK-FMIVXFBMSA-N 2 1 260.425 3.219 20 0 CGADMP CCC[N@H+](CCCc1ccc(C)o1)CCC[NH+](C)C ZINC001207949366 813678036 /nfs/dbraw/zinc/67/80/36/813678036.db2.gz GOYXHWOTSZDBAT-UHFFFAOYSA-N 2 1 266.429 3.184 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1(C)CCOCC1 ZINC001208077499 813688415 /nfs/dbraw/zinc/68/84/15/813688415.db2.gz VHILNKVPLRGCGP-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1(C)CCOCC1 ZINC001208077499 813688417 /nfs/dbraw/zinc/68/84/17/813688417.db2.gz VHILNKVPLRGCGP-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1(C)CCOCC1 ZINC001208077499 813688420 /nfs/dbraw/zinc/68/84/20/813688420.db2.gz VHILNKVPLRGCGP-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1C ZINC001208105734 813692800 /nfs/dbraw/zinc/69/28/00/813692800.db2.gz BEJVEBROFSJQAH-HUUCEWRRSA-N 2 1 252.446 3.086 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC2(C)CC[NH+](C)CC2)cc1 ZINC001208108809 813694544 /nfs/dbraw/zinc/69/45/44/813694544.db2.gz JBSQWDYBJXWYGC-UHFFFAOYSA-N 2 1 274.452 3.413 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001208114067 813696580 /nfs/dbraw/zinc/69/65/80/813696580.db2.gz QTVWNIISDIPKOP-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP CS[C@@H](C)CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001208140223 813706493 /nfs/dbraw/zinc/70/64/93/813706493.db2.gz DVEKGPGUPUYDFT-JKSUJKDBSA-N 2 1 284.513 3.468 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001208172648 813727163 /nfs/dbraw/zinc/72/71/63/813727163.db2.gz ZLHFAJJCJHLNOE-AEFFLSMTSA-N 2 1 288.479 3.397 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605968 813771732 /nfs/dbraw/zinc/77/17/32/813771732.db2.gz CSLVUIDSTDVEMH-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605968 813771734 /nfs/dbraw/zinc/77/17/34/813771734.db2.gz CSLVUIDSTDVEMH-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605968 813771737 /nfs/dbraw/zinc/77/17/37/813771737.db2.gz CSLVUIDSTDVEMH-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605968 813771742 /nfs/dbraw/zinc/77/17/42/813771742.db2.gz CSLVUIDSTDVEMH-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C1CC1 ZINC001208683812 813793835 /nfs/dbraw/zinc/79/38/35/813793835.db2.gz MGCMFBCXEIHVSZ-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCC4CC4)C[C@H]3C2)cc1 ZINC001208687401 813796909 /nfs/dbraw/zinc/79/69/09/813796909.db2.gz CPVAKLQYIJGFOT-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=CC[N@H+](C)CC2)c(C)c1 ZINC001208855504 813866108 /nfs/dbraw/zinc/86/61/08/813866108.db2.gz BNHKTKAOQBXTOM-UHFFFAOYSA-N 2 1 273.424 3.473 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=CC[N@@H+](C)CC2)c(C)c1 ZINC001208855504 813866115 /nfs/dbraw/zinc/86/61/15/813866115.db2.gz BNHKTKAOQBXTOM-UHFFFAOYSA-N 2 1 273.424 3.473 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC4CCC3CC4)C2)cc1 ZINC001208952370 813910245 /nfs/dbraw/zinc/91/02/45/813910245.db2.gz JJQGOHDQSDZUSU-JLAWEPINSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC4CCC3CC4)C2)cc1 ZINC001208952370 813910250 /nfs/dbraw/zinc/91/02/50/813910250.db2.gz JJQGOHDQSDZUSU-JLAWEPINSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC4CCC3CC4)C2)cc1 ZINC001208952370 813910255 /nfs/dbraw/zinc/91/02/55/813910255.db2.gz JJQGOHDQSDZUSU-JLAWEPINSA-N 2 1 284.447 3.383 20 0 CGADMP CC[N@H+](CCc1ccc(F)cc1Cl)CCn1ccnc1 ZINC001209114948 813937406 /nfs/dbraw/zinc/93/74/06/813937406.db2.gz HWKHSNOSZCSNFG-UHFFFAOYSA-N 2 1 295.789 3.240 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235371 813978019 /nfs/dbraw/zinc/97/80/19/813978019.db2.gz OVLWTJVXSKPVHO-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209429945 814030593 /nfs/dbraw/zinc/03/05/93/814030593.db2.gz IDVFBTVQTHQMSV-ZBFHGGJFSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209429945 814030601 /nfs/dbraw/zinc/03/06/01/814030601.db2.gz IDVFBTVQTHQMSV-ZBFHGGJFSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209434499 814034766 /nfs/dbraw/zinc/03/47/66/814034766.db2.gz YYBSQOJEAKQPAX-QXCFHYIPSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209434499 814034770 /nfs/dbraw/zinc/03/47/70/814034770.db2.gz YYBSQOJEAKQPAX-QXCFHYIPSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209434499 814034773 /nfs/dbraw/zinc/03/47/73/814034773.db2.gz YYBSQOJEAKQPAX-QXCFHYIPSA-N 2 1 284.447 3.096 20 0 CGADMP FC[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448143 814048193 /nfs/dbraw/zinc/04/81/93/814048193.db2.gz NWLKZFHLCKCPBE-ZDUSSCGKSA-N 2 1 296.352 3.086 20 0 CGADMP FC[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448143 814048203 /nfs/dbraw/zinc/04/82/03/814048203.db2.gz NWLKZFHLCKCPBE-ZDUSSCGKSA-N 2 1 296.352 3.086 20 0 CGADMP CC1(C)CCC2(CC[NH+](CCC[NH+]3CCCCC3)CC2)O1 ZINC001209452087 814048442 /nfs/dbraw/zinc/04/84/42/814048442.db2.gz BRSKWXLGWLTPCJ-UHFFFAOYSA-N 2 1 294.483 3.286 20 0 CGADMP Cc1ccc2[nH]cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC001209500183 814064278 /nfs/dbraw/zinc/06/42/78/814064278.db2.gz SRSDJUSLZIOFKM-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c2c1 ZINC001209500183 814064280 /nfs/dbraw/zinc/06/42/80/814064280.db2.gz SRSDJUSLZIOFKM-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c2c1 ZINC001209500183 814064286 /nfs/dbraw/zinc/06/42/86/814064286.db2.gz SRSDJUSLZIOFKM-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3ccon3)CC2)CC1 ZINC001209567337 814084051 /nfs/dbraw/zinc/08/40/51/814084051.db2.gz FCRGOFCGAPHGHU-UHFFFAOYSA-N 2 1 291.439 3.009 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141736 816358172 /nfs/dbraw/zinc/35/81/72/816358172.db2.gz ROIHBCYZMKAQAM-KRWDZBQOSA-N 2 1 292.854 3.348 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC001222149059 816359384 /nfs/dbraw/zinc/35/93/84/816359384.db2.gz WCARCMROLBHRAM-LJQANCHMSA-N 2 1 295.430 3.053 20 0 CGADMP CS[C@@H](C)CC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153988 816361769 /nfs/dbraw/zinc/36/17/69/816361769.db2.gz FBIPSUALQSVJSU-HOTGVXAUSA-N 2 1 284.513 3.374 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181520 816369446 /nfs/dbraw/zinc/36/94/46/816369446.db2.gz LLZWKPNQNUXYJC-KRWDZBQOSA-N 2 1 294.483 3.213 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191551 816371857 /nfs/dbraw/zinc/37/18/57/816371857.db2.gz MXTCMMUBILFGTL-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191551 816371864 /nfs/dbraw/zinc/37/18/64/816371864.db2.gz MXTCMMUBILFGTL-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222310291 816405123 /nfs/dbraw/zinc/40/51/23/816405123.db2.gz STIWYWKGIYKRIL-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1 ZINC001222320565 816408858 /nfs/dbraw/zinc/40/88/58/816408858.db2.gz KEGXBKNMVGOWLY-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1 ZINC001222320565 816408863 /nfs/dbraw/zinc/40/88/63/816408863.db2.gz KEGXBKNMVGOWLY-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP CC1(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)CCCCC1 ZINC001222347117 816415266 /nfs/dbraw/zinc/41/52/66/816415266.db2.gz WMRPRIFWNGFUPX-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360676 816418959 /nfs/dbraw/zinc/41/89/59/816418959.db2.gz SIPGEZDVELRSSR-QZTJIDSGSA-N 2 1 294.483 3.213 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360676 816418966 /nfs/dbraw/zinc/41/89/66/816418966.db2.gz SIPGEZDVELRSSR-QZTJIDSGSA-N 2 1 294.483 3.213 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1C ZINC001222385427 816426186 /nfs/dbraw/zinc/42/61/86/816426186.db2.gz MSPDGRJSFSFESR-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1C ZINC001222385427 816426191 /nfs/dbraw/zinc/42/61/91/816426191.db2.gz MSPDGRJSFSFESR-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615876 816478901 /nfs/dbraw/zinc/47/89/01/816478901.db2.gz SZXDHRLBGVEARK-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1(C)C ZINC001222624368 816482901 /nfs/dbraw/zinc/48/29/01/816482901.db2.gz ZBDOWMHJLUAEGE-IXDOHACOSA-N 2 1 276.468 3.300 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)cc1 ZINC001231789946 818176780 /nfs/dbraw/zinc/17/67/80/818176780.db2.gz MUQQXRAOWHFZMO-MOPGFXCFSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001231789951 818176839 /nfs/dbraw/zinc/17/68/39/818176839.db2.gz MUQQXRAOWHFZMO-RBUKOAKNSA-N 2 1 286.463 3.411 20 0 CGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)cc1F ZINC001232787416 818441178 /nfs/dbraw/zinc/44/11/78/818441178.db2.gz ZPSFCGQWUCUZKY-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)CCC[NH+](C)C ZINC001233247939 818550160 /nfs/dbraw/zinc/55/01/60/818550160.db2.gz PYYXQRZSRCOYBL-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+](C)CCC[NH+](C)C ZINC001233247939 818550163 /nfs/dbraw/zinc/55/01/63/818550163.db2.gz PYYXQRZSRCOYBL-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP Cc1ccc(Cl)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001233248741 818552573 /nfs/dbraw/zinc/55/25/73/818552573.db2.gz WSSUHVMOKMXLJS-HIFRSBDPSA-N 2 1 278.827 3.032 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001233248741 818552579 /nfs/dbraw/zinc/55/25/79/818552579.db2.gz WSSUHVMOKMXLJS-HIFRSBDPSA-N 2 1 278.827 3.032 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001233248741 818552587 /nfs/dbraw/zinc/55/25/87/818552587.db2.gz WSSUHVMOKMXLJS-HIFRSBDPSA-N 2 1 278.827 3.032 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235000233 818975007 /nfs/dbraw/zinc/97/50/07/818975007.db2.gz PPKTUNHQQOKZLV-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235000233 818975010 /nfs/dbraw/zinc/97/50/10/818975010.db2.gz PPKTUNHQQOKZLV-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024557 818981118 /nfs/dbraw/zinc/98/11/18/818981118.db2.gz NSTDBTBINGPYAO-UHFFFAOYSA-N 2 1 292.382 3.381 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235046176 818990353 /nfs/dbraw/zinc/99/03/53/818990353.db2.gz NKJXZDDFYUEWCQ-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235046176 818990356 /nfs/dbraw/zinc/99/03/56/818990356.db2.gz NKJXZDDFYUEWCQ-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Clc1cccc(Cl)c1CC[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235090414 818997815 /nfs/dbraw/zinc/99/78/15/818997815.db2.gz YOBFVIWRRICTAF-UHFFFAOYSA-N 2 1 299.245 3.221 20 0 CGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2cccccc1-2 ZINC001235093948 818999695 /nfs/dbraw/zinc/99/96/95/818999695.db2.gz SZIYYOUIXWPMIP-UHFFFAOYSA-N 2 1 280.415 3.367 20 0 CGADMP CCCCOc1cccc(C[N@@H+]2CCC23CC[NH2+]CC3)c1 ZINC001235103184 819002122 /nfs/dbraw/zinc/00/21/22/819002122.db2.gz UBJSCJMXUSIRMF-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC23CC[NH2+]CC3)c1 ZINC001235103184 819002129 /nfs/dbraw/zinc/00/21/29/819002129.db2.gz UBJSCJMXUSIRMF-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP C[C@@H](C[N@@H+]1CCCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001235126594 819011951 /nfs/dbraw/zinc/01/19/51/819011951.db2.gz USIKWJSXGCIBOJ-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001235126594 819011953 /nfs/dbraw/zinc/01/19/53/819011953.db2.gz USIKWJSXGCIBOJ-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP Fc1ccccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151339 819018100 /nfs/dbraw/zinc/01/81/00/819018100.db2.gz GJSADUJWJDPASE-QGZVFWFLSA-N 2 1 276.399 3.180 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235161488 819019697 /nfs/dbraw/zinc/01/96/97/819019697.db2.gz RYIBLVUOBWICFV-GOSISDBHSA-N 2 1 290.426 3.488 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)o1 ZINC001235157290 819019935 /nfs/dbraw/zinc/01/99/35/819019935.db2.gz IETJWVKSPHPYQO-CQSZACIVSA-N 2 1 282.815 3.287 20 0 CGADMP c1ccc(C2(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC001235171561 819022971 /nfs/dbraw/zinc/02/29/71/819022971.db2.gz JZXFQIOXKPYIQU-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC001235171561 819022973 /nfs/dbraw/zinc/02/29/73/819022973.db2.gz JZXFQIOXKPYIQU-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP c1cc2c(c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c1)CCC2 ZINC001235177963 819026466 /nfs/dbraw/zinc/02/64/66/819026466.db2.gz SWMNNGVUZNBGIP-IBGZPJMESA-N 2 1 284.447 3.283 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c1)CCC2 ZINC001235177963 819026471 /nfs/dbraw/zinc/02/64/71/819026471.db2.gz SWMNNGVUZNBGIP-IBGZPJMESA-N 2 1 284.447 3.283 20 0 CGADMP CCc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235191068 819029207 /nfs/dbraw/zinc/02/92/07/819029207.db2.gz PFSLVRMFHVIENX-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCCCC34CC[NH2+]CC4)cc21 ZINC001235190054 819029952 /nfs/dbraw/zinc/02/99/52/819029952.db2.gz SOFGQLXVSITZNZ-UHFFFAOYSA-N 2 1 297.446 3.286 20 0 CGADMP Clc1ncsc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235231621 819041742 /nfs/dbraw/zinc/04/17/42/819041742.db2.gz VBHGSMHAIJRMLM-GFCCVEGCSA-N 2 1 299.871 3.151 20 0 CGADMP C[C@H](C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235260103 819055472 /nfs/dbraw/zinc/05/54/72/819055472.db2.gz NGAKLDRZNPOSKG-IDHHARJASA-N 2 1 280.415 3.237 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC001235263818 819058456 /nfs/dbraw/zinc/05/84/56/819058456.db2.gz VHUCQNXZYRTASZ-WOJBJXKFSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC001235263818 819058462 /nfs/dbraw/zinc/05/84/62/819058462.db2.gz VHUCQNXZYRTASZ-WOJBJXKFSA-N 2 1 292.426 3.456 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235272867 819059344 /nfs/dbraw/zinc/05/93/44/819059344.db2.gz RCLDISNREYIPNZ-ZWKOTPCHSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)cc2)c1 ZINC001235282640 819061340 /nfs/dbraw/zinc/06/13/40/819061340.db2.gz CIPZQJCPNNKCBD-REPLKXPHSA-N 2 1 278.399 3.051 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339248 819070893 /nfs/dbraw/zinc/07/08/93/819070893.db2.gz FDSHAZGHJNXVQA-INIZCTEOSA-N 2 1 280.415 3.190 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235341219 819072200 /nfs/dbraw/zinc/07/22/00/819072200.db2.gz PLBPXYUICHFOAG-WCWCZOKXSA-N 2 1 288.479 3.134 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)o1 ZINC001235403615 819085675 /nfs/dbraw/zinc/08/56/75/819085675.db2.gz LJUFWLFFFDICGS-XOKHGSTOSA-N 2 1 294.414 3.105 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235420737 819091794 /nfs/dbraw/zinc/09/17/94/819091794.db2.gz ANWFXLZHVOGWJI-QWHCGFSZSA-N 2 1 282.815 3.145 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235425178 819092614 /nfs/dbraw/zinc/09/26/14/819092614.db2.gz ILWQXZUVIPGEQG-DLBZAZTESA-N 2 1 290.426 3.346 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC001235426194 819093119 /nfs/dbraw/zinc/09/31/19/819093119.db2.gz NVHMBGYZHDXHAL-JKSUJKDBSA-N 2 1 276.424 3.108 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1CCC2 ZINC001235427433 819094954 /nfs/dbraw/zinc/09/49/54/819094954.db2.gz RZADRJXTCZMBRR-VQTJNVASSA-N 2 1 298.474 3.387 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)ccc1Cl ZINC001235433422 819095681 /nfs/dbraw/zinc/09/56/81/819095681.db2.gz HMXYQHJFWPQCEM-UHFFFAOYSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)ccc1OC(C)C ZINC001235432630 819095827 /nfs/dbraw/zinc/09/58/27/819095827.db2.gz OMUDKRIQXXMJKO-UHFFFAOYSA-N 2 1 290.451 3.214 20 0 CGADMP C[N@@H+](CCC[NH3+])CC(C)(C)Sc1ccc(Cl)cc1 ZINC001235435564 819097519 /nfs/dbraw/zinc/09/75/19/819097519.db2.gz POTYRWINZBYYTJ-UHFFFAOYSA-N 2 1 286.872 3.491 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235679849 819139759 /nfs/dbraw/zinc/13/97/59/819139759.db2.gz RPMSQSBLTVMNJV-AEFFLSMTSA-N 2 1 288.435 3.364 20 0 CGADMP C[C@H](CC[N@H+]1CCCC2(C[NH2+]C2)C1)CC(C)(C)C ZINC001235712016 819148679 /nfs/dbraw/zinc/14/86/79/819148679.db2.gz XVFYYZZMHIFPKX-CQSZACIVSA-N 2 1 252.446 3.134 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717357 819150542 /nfs/dbraw/zinc/15/05/42/819150542.db2.gz RTMBXKNDWMYMQR-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])c2ccccc12 ZINC001235725620 819153574 /nfs/dbraw/zinc/15/35/74/819153574.db2.gz SABBHGNAZHZFFA-HNNXBMFYSA-N 2 1 254.377 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])c2ccccc12 ZINC001235725620 819153577 /nfs/dbraw/zinc/15/35/77/819153577.db2.gz SABBHGNAZHZFFA-HNNXBMFYSA-N 2 1 254.377 3.071 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001235726065 819154531 /nfs/dbraw/zinc/15/45/31/819154531.db2.gz MDHIIOIWUQKIRI-YJBOKZPZSA-N 2 1 288.435 3.222 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001235751057 819160187 /nfs/dbraw/zinc/16/01/87/819160187.db2.gz VFXHMJMCJGNXKY-HNNXBMFYSA-N 2 1 284.378 3.273 20 0 CGADMP Cc1c(C)c(C[NH+]2CCC(C)([NH3+])CC2)ccc1Cl ZINC001235752015 819161346 /nfs/dbraw/zinc/16/13/46/819161346.db2.gz HTVUGPSIMNAPLY-UHFFFAOYSA-N 2 1 266.816 3.270 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001235825416 819176810 /nfs/dbraw/zinc/17/68/10/819176810.db2.gz MQRZEOBMYXZLFX-ZDUSSCGKSA-N 2 1 266.816 3.258 20 0 CGADMP Cc1cccc(CC[N@H+](C)Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001235838676 819180433 /nfs/dbraw/zinc/18/04/33/819180433.db2.gz AZJQLARTGLSKKT-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2CCCCC[NH3+])cc1 ZINC001235840489 819182244 /nfs/dbraw/zinc/18/22/44/819182244.db2.gz MUAUDXKMMQSBNE-QGZVFWFLSA-N 2 1 276.424 3.351 20 0 CGADMP CC/C=C\CCCCCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841458 819183018 /nfs/dbraw/zinc/18/30/18/819183018.db2.gz GBAHZOBBGSBFHT-YIEVGGLXSA-N 2 1 252.446 3.444 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccsc2)c1)C[C@H]1CC[NH2+]C1 ZINC001235843087 819184876 /nfs/dbraw/zinc/18/48/76/819184876.db2.gz VJZNMHZNIPNMNL-HNNXBMFYSA-N 2 1 286.444 3.456 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)c2ccccc12 ZINC001235892073 819200495 /nfs/dbraw/zinc/20/04/95/819200495.db2.gz LJKZDWUXVSLYGY-GDBMZVCRSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)c2ccccc12 ZINC001235892073 819200501 /nfs/dbraw/zinc/20/05/01/819200501.db2.gz LJKZDWUXVSLYGY-GDBMZVCRSA-N 2 1 268.404 3.460 20 0 CGADMP c1ccc(C2(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)CCCC2)cc1 ZINC001235930250 819228314 /nfs/dbraw/zinc/22/83/14/819228314.db2.gz VFUGRVICHXIMJK-SJORKVTESA-N 2 1 284.447 3.040 20 0 CGADMP c1cc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)cs1 ZINC001235934652 819231212 /nfs/dbraw/zinc/23/12/12/819231212.db2.gz CHIFJVWHGCDSKT-SJLPKXTDSA-N 2 1 298.455 3.456 20 0 CGADMP CC/C=C\CCCCC[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001235947178 819235779 /nfs/dbraw/zinc/23/57/79/819235779.db2.gz YAPAVKHYQPOFJL-PLNGDYQASA-N 2 1 282.472 3.213 20 0 CGADMP CCC(CC)[N@@H+](C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235959858 819248138 /nfs/dbraw/zinc/24/81/38/819248138.db2.gz LWMKQNPNTOIUEB-UHFFFAOYSA-N 2 1 252.427 3.014 20 0 CGADMP CCC(CC)[N@@H+](CC)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235961715 819249476 /nfs/dbraw/zinc/24/94/76/819249476.db2.gz DUXVTXCFNALWRF-UHFFFAOYSA-N 2 1 260.425 3.343 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235985619 819259855 /nfs/dbraw/zinc/25/98/55/819259855.db2.gz BRHOXBVHLAEFLZ-BLLLJJGKSA-N 2 1 272.417 3.133 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235985619 819259862 /nfs/dbraw/zinc/25/98/62/819259862.db2.gz BRHOXBVHLAEFLZ-BLLLJJGKSA-N 2 1 272.417 3.133 20 0 CGADMP C[C@H]1C[N@@H+](CCCC[NH3+])CCc2ccc(Cl)cc21 ZINC001236085862 819308160 /nfs/dbraw/zinc/30/81/60/819308160.db2.gz XQAPAYNVVCQAEP-LBPRGKRZSA-N 2 1 266.816 3.041 20 0 CGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001236097582 819316108 /nfs/dbraw/zinc/31/61/08/819316108.db2.gz LDRHBXCDOBLNIS-IAGOWNOFSA-N 2 1 288.435 3.017 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1C ZINC001236211013 819371984 /nfs/dbraw/zinc/37/19/84/819371984.db2.gz FIUAFYYHCUBELX-CVEARBPZSA-N 2 1 276.424 3.014 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1C ZINC001236211013 819371992 /nfs/dbraw/zinc/37/19/92/819371992.db2.gz FIUAFYYHCUBELX-CVEARBPZSA-N 2 1 276.424 3.014 20 0 CGADMP C[N@H+](Cc1c[nH]c2cccc(F)c12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212435 819373455 /nfs/dbraw/zinc/37/34/55/819373455.db2.gz LMMZPXLXDWXCFN-HIFRSBDPSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cccc(F)c12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212435 819373462 /nfs/dbraw/zinc/37/34/62/819373462.db2.gz LMMZPXLXDWXCFN-HIFRSBDPSA-N 2 1 275.371 3.009 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc3c(c2)CCCN3)CC1 ZINC001236214454 819375401 /nfs/dbraw/zinc/37/54/01/819375401.db2.gz FNJKRRVVMPQUIS-UHFFFAOYSA-N 2 1 287.451 3.007 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215693 819380317 /nfs/dbraw/zinc/38/03/17/819380317.db2.gz IDMFLGYUKMLUID-FUHWJXTLSA-N 2 1 285.435 3.363 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216447 819381089 /nfs/dbraw/zinc/38/10/89/819381089.db2.gz KVHUUTPQJVYGIN-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216447 819381097 /nfs/dbraw/zinc/38/10/97/819381097.db2.gz KVHUUTPQJVYGIN-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP C[N@H+](Cc1ccc(F)c(C2CC2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217068 819382914 /nfs/dbraw/zinc/38/29/14/819382914.db2.gz NIWYXBQCLJFAIH-SJORKVTESA-N 2 1 276.399 3.405 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(C2CC2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217068 819382917 /nfs/dbraw/zinc/38/29/17/819382917.db2.gz NIWYXBQCLJFAIH-SJORKVTESA-N 2 1 276.399 3.405 20 0 CGADMP CCc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)ccc1Cl ZINC001236227506 819391488 /nfs/dbraw/zinc/39/14/88/819391488.db2.gz FGZCLGMYLASGBO-UHFFFAOYSA-N 2 1 280.843 3.476 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236224883 819392061 /nfs/dbraw/zinc/39/20/61/819392061.db2.gz YBCJJONRIKSEBN-QKPAOTATSA-N 2 1 250.430 3.181 20 0 CGADMP CC[N@@H+](CCCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001236238471 819398010 /nfs/dbraw/zinc/39/80/10/819398010.db2.gz AQXMGKYJCARNLG-UHFFFAOYSA-N 2 1 274.330 3.266 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH3+])cc1)Cc1cccc(F)c1F ZINC001236241414 819401516 /nfs/dbraw/zinc/40/15/16/819401516.db2.gz RHYMPLARMIPGKS-UHFFFAOYSA-N 2 1 290.357 3.446 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1cccc(F)c1F ZINC001236241414 819401518 /nfs/dbraw/zinc/40/15/18/819401518.db2.gz RHYMPLARMIPGKS-UHFFFAOYSA-N 2 1 290.357 3.446 20 0 CGADMP FC(F)(F)c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314674 819420677 /nfs/dbraw/zinc/42/06/77/819420677.db2.gz RVUVGOIGSARIKP-OKILXGFUSA-N 2 1 298.352 3.137 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322004 819424696 /nfs/dbraw/zinc/42/46/96/819424696.db2.gz ZYXVQSDVXXXWQV-KDURUIRLSA-N 2 1 284.447 3.386 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)s1 ZINC001236320455 819424713 /nfs/dbraw/zinc/42/47/13/819424713.db2.gz HHIKILZLRHNKTL-OKILXGFUSA-N 2 1 286.444 3.333 20 0 CGADMP c1cc(C[N@H+]2CCCC3(CCC3)C2)cc2c1C[NH2+]C2 ZINC001236322880 819424752 /nfs/dbraw/zinc/42/47/52/819424752.db2.gz VGEYXMAPZLNIGI-UHFFFAOYSA-N 2 1 256.393 3.056 20 0 CGADMP CS[C@@H](C)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372610 819441221 /nfs/dbraw/zinc/44/12/21/819441221.db2.gz QWZGXVUYZYDYSY-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP CCCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372689 819441795 /nfs/dbraw/zinc/44/17/95/819441795.db2.gz SSYRGASRSXYXOT-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@@H+](CCCc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411323 819458093 /nfs/dbraw/zinc/45/80/93/819458093.db2.gz FWWBAJUGKAYYMQ-JYAVWHMHSA-N 2 1 299.245 3.076 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001236415629 819461353 /nfs/dbraw/zinc/46/13/53/819461353.db2.gz OZEQTMRFOJQQJU-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001236415629 819461355 /nfs/dbraw/zinc/46/13/55/819461355.db2.gz OZEQTMRFOJQQJU-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@](F)(C[NH3+])C2)c2ccccc12 ZINC001236436508 819478359 /nfs/dbraw/zinc/47/83/59/819478359.db2.gz YBIZSGNOGOCCQO-QGZVFWFLSA-N 2 1 272.367 3.021 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@](F)(C[NH3+])C2)c2ccccc12 ZINC001236436508 819478364 /nfs/dbraw/zinc/47/83/64/819478364.db2.gz YBIZSGNOGOCCQO-QGZVFWFLSA-N 2 1 272.367 3.021 20 0 CGADMP c1cc2n(c1C[N@@H+](Cc1ccccc1)C1CCC1)CC[NH2+]C2 ZINC001236443035 819481591 /nfs/dbraw/zinc/48/15/91/819481591.db2.gz SQCSKYPVHFYKNQ-UHFFFAOYSA-N 2 1 295.430 3.146 20 0 CGADMP CNc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236458930 819485632 /nfs/dbraw/zinc/48/56/32/819485632.db2.gz DYESTROVAUOODN-UHFFFAOYSA-N 2 1 289.467 3.328 20 0 CGADMP CCc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236467952 819488119 /nfs/dbraw/zinc/48/81/19/819488119.db2.gz AZKOVQYVODABJQ-QGZVFWFLSA-N 2 1 260.425 3.211 20 0 CGADMP CCc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236467952 819488122 /nfs/dbraw/zinc/48/81/22/819488122.db2.gz AZKOVQYVODABJQ-QGZVFWFLSA-N 2 1 260.425 3.211 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc3c2NCC3)CC2CC2)CC1 ZINC001236549836 819533918 /nfs/dbraw/zinc/53/39/18/819533918.db2.gz AUAWAWXQYVKRQA-IYARVYRRSA-N 2 1 299.462 3.137 20 0 CGADMP CCC[N@@H+](CCCc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236830009 819611797 /nfs/dbraw/zinc/61/17/97/819611797.db2.gz MKSQPLMQMHDFPL-MRXNPFEDSA-N 2 1 278.415 3.080 20 0 CGADMP CCC[N@H+](Cc1ccccc1CC)C[C@@H]1CC[NH2+]C1 ZINC001236833773 819612656 /nfs/dbraw/zinc/61/26/56/819612656.db2.gz CJDRMDBUTWHFDN-OAHLLOKOSA-N 2 1 260.425 3.071 20 0 CGADMP CCC[N@H+](Cc1c[nH]c2cccc(C)c12)C[C@@H]1CC[NH2+]C1 ZINC001236833885 819612697 /nfs/dbraw/zinc/61/26/97/819612697.db2.gz CWQIRGGZGMAIJZ-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@@H+](Cc1c(C)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836449 819614387 /nfs/dbraw/zinc/61/43/87/819614387.db2.gz VHNABWQFYPBZHA-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1c(C)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836449 819614389 /nfs/dbraw/zinc/61/43/89/819614389.db2.gz VHNABWQFYPBZHA-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1coc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236836254 819614480 /nfs/dbraw/zinc/61/44/80/819614480.db2.gz UELAYDHHAQVSSF-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP CCC[N@H+](Cc1ccc(CC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835724 819614549 /nfs/dbraw/zinc/61/45/49/819614549.db2.gz POLXRMLFDUKGAF-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(OCC)c1)C[C@H]1CC[NH2+]C1 ZINC001236843281 819619075 /nfs/dbraw/zinc/61/90/75/819619075.db2.gz MTMAXEFPCJCAFR-KRWDZBQOSA-N 2 1 290.451 3.215 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)c(C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236842359 819619161 /nfs/dbraw/zinc/61/91/61/819619161.db2.gz FIXNOPFRQAKUIX-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c(C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236842359 819619165 /nfs/dbraw/zinc/61/91/65/819619165.db2.gz FIXNOPFRQAKUIX-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236902834 819634636 /nfs/dbraw/zinc/63/46/36/819634636.db2.gz JJVUGVXXIDIOPC-UHFFFAOYSA-N 2 1 263.772 3.366 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001237056354 819654888 /nfs/dbraw/zinc/65/48/88/819654888.db2.gz ICXNCLAGWRKYLO-INIZCTEOSA-N 2 1 280.843 3.333 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC001237057001 819656207 /nfs/dbraw/zinc/65/62/07/819656207.db2.gz DZLNRASGHRSISX-MRXNPFEDSA-N 2 1 294.389 3.491 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237057402 819656461 /nfs/dbraw/zinc/65/64/61/819656461.db2.gz MCULZENFKPSREK-SFHVURJKSA-N 2 1 285.435 3.222 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1C ZINC001237057404 819657368 /nfs/dbraw/zinc/65/73/68/819657368.db2.gz MDBPDCFYLNJADR-QGZVFWFLSA-N 2 1 260.425 3.173 20 0 CGADMP CC[N@@H+](Cc1cc(O)cc2ccccc21)C1CCN(C)CC1 ZINC001237069148 819658718 /nfs/dbraw/zinc/65/87/18/819658718.db2.gz RCESLSKMHCULCF-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237082796 819663512 /nfs/dbraw/zinc/66/35/12/819663512.db2.gz SYMWJUSNSURNJD-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237082796 819663517 /nfs/dbraw/zinc/66/35/17/819663517.db2.gz SYMWJUSNSURNJD-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001237258822 819710073 /nfs/dbraw/zinc/71/00/73/819710073.db2.gz OSKCRHPGULCWQT-WQVCFCJDSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001237258822 819710078 /nfs/dbraw/zinc/71/00/78/819710078.db2.gz OSKCRHPGULCWQT-WQVCFCJDSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001237258822 819710085 /nfs/dbraw/zinc/71/00/85/819710085.db2.gz OSKCRHPGULCWQT-WQVCFCJDSA-N 2 1 294.389 3.097 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381300 819738666 /nfs/dbraw/zinc/73/86/66/819738666.db2.gz ISPRYLIWFXHWNZ-AEFFLSMTSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381300 819738671 /nfs/dbraw/zinc/73/86/71/819738671.db2.gz ISPRYLIWFXHWNZ-AEFFLSMTSA-N 2 1 288.435 3.048 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237383835 819738845 /nfs/dbraw/zinc/73/88/45/819738845.db2.gz RZVWVBZELQOBIP-LUKYLMHMSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237383835 819738847 /nfs/dbraw/zinc/73/88/47/819738847.db2.gz RZVWVBZELQOBIP-LUKYLMHMSA-N 2 1 262.441 3.053 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412396 819746521 /nfs/dbraw/zinc/74/65/21/819746521.db2.gz IHNLXKRCJLBTLN-WBVHZDCISA-N 2 1 290.476 3.291 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412396 819746528 /nfs/dbraw/zinc/74/65/28/819746528.db2.gz IHNLXKRCJLBTLN-WBVHZDCISA-N 2 1 290.476 3.291 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416653 819748856 /nfs/dbraw/zinc/74/88/56/819748856.db2.gz SCBCUYGINFPSHL-GDBMZVCRSA-N 2 1 290.476 3.373 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416653 819748860 /nfs/dbraw/zinc/74/88/60/819748860.db2.gz SCBCUYGINFPSHL-GDBMZVCRSA-N 2 1 290.476 3.373 20 0 CGADMP C[C@]1(F)CCC[N@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238102342 819932984 /nfs/dbraw/zinc/93/29/84/819932984.db2.gz BEZWPNVSQUMMGS-HNNXBMFYSA-N 2 1 261.344 3.048 20 0 CGADMP C[C@]1(F)CCC[N@@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238102342 819932992 /nfs/dbraw/zinc/93/29/92/819932992.db2.gz BEZWPNVSQUMMGS-HNNXBMFYSA-N 2 1 261.344 3.048 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1Cl ZINC001238783770 820119439 /nfs/dbraw/zinc/11/94/39/820119439.db2.gz JEJVSZURLCIAIZ-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP Cc1cc(-c2ccccc2C[NH+](C)C)cn2cc[nH+]c12 ZINC001239685160 820521409 /nfs/dbraw/zinc/52/14/09/820521409.db2.gz XDKHBYNJYHJEGJ-UHFFFAOYSA-N 2 1 265.360 3.371 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[NH+]2CCC2)cc1 ZINC001241250183 821670935 /nfs/dbraw/zinc/67/09/35/821670935.db2.gz GXQASYUULPRWFV-UHFFFAOYSA-N 2 1 281.403 3.329 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001241250241 821672505 /nfs/dbraw/zinc/67/25/05/821672505.db2.gz JNGQHHDOFGKSKG-INIZCTEOSA-N 2 1 281.403 3.200 20 0 CGADMP C[N@@H+]1CCC=C(c2ccc3c(c2)[nH]c2cc[nH+]cc23)C1 ZINC001241571334 821958509 /nfs/dbraw/zinc/95/85/09/821958509.db2.gz YIYVAINZCPCYHF-UHFFFAOYSA-N 2 1 263.344 3.435 20 0 CGADMP C[N@H+]1CCC=C(c2ccc3c(c2)[nH]c2cc[nH+]cc23)C1 ZINC001241571334 821958514 /nfs/dbraw/zinc/95/85/14/821958514.db2.gz YIYVAINZCPCYHF-UHFFFAOYSA-N 2 1 263.344 3.435 20 0 CGADMP CC[NH+](CC)Cc1ccc(C2=CCC[N@@H+](C)C2)cc1F ZINC001241572314 821959318 /nfs/dbraw/zinc/95/93/18/821959318.db2.gz VYFCWFUVJSFFRJ-UHFFFAOYSA-N 2 1 276.399 3.386 20 0 CGADMP COc1ccc(-c2c[nH+]c(N)cc2C)cc1C[NH+]1CCCC1 ZINC001242096669 822350448 /nfs/dbraw/zinc/35/04/48/822350448.db2.gz XVAJLCIANCSVFF-UHFFFAOYSA-N 2 1 297.402 3.244 20 0 CGADMP COc1ccc(C[C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC001341476381 936439312 /nfs/dbraw/zinc/43/93/12/936439312.db2.gz RJEBSORIMSSDSY-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccc(C[C@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001341476381 936439314 /nfs/dbraw/zinc/43/93/14/936439314.db2.gz RJEBSORIMSSDSY-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccc(C[C@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001341476381 936439316 /nfs/dbraw/zinc/43/93/16/936439316.db2.gz RJEBSORIMSSDSY-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccnc1 ZINC001342390050 936466078 /nfs/dbraw/zinc/46/60/78/936466078.db2.gz OEYYHPSPNVYPSC-WBVHZDCISA-N 2 1 275.440 3.244 20 0 CGADMP C[N@@H+](CCCC(F)(F)F)CC[C@H]1CCCC[NH+]1C ZINC001342780242 936479251 /nfs/dbraw/zinc/47/92/51/936479251.db2.gz UDAJEDOXWOEEAI-GFCCVEGCSA-N 2 1 266.351 3.135 20 0 CGADMP C[NH+](CCCC(F)(F)F)CC[C@H]1CCCC[N@@H+]1C ZINC001342780242 936479254 /nfs/dbraw/zinc/47/92/54/936479254.db2.gz UDAJEDOXWOEEAI-GFCCVEGCSA-N 2 1 266.351 3.135 20 0 CGADMP C[NH+](CCCC(F)(F)F)CC[C@H]1CCCC[N@H+]1C ZINC001342780242 936479255 /nfs/dbraw/zinc/47/92/55/936479255.db2.gz UDAJEDOXWOEEAI-GFCCVEGCSA-N 2 1 266.351 3.135 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCC4)C2)CC1 ZINC001343352849 936496470 /nfs/dbraw/zinc/49/64/70/936496470.db2.gz FXVWRJRXZZSNEE-HXUWFJFHSA-N 2 1 298.474 3.339 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC001344581215 936539456 /nfs/dbraw/zinc/53/94/56/936539456.db2.gz SMUNYKYAIZHWPE-BOFPYLFWSA-N 2 1 297.446 3.098 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346016990 936834178 /nfs/dbraw/zinc/83/41/78/936834178.db2.gz HRRKMKJHLCMZFE-IAGOWNOFSA-N 2 1 294.483 3.047 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]2C1 ZINC001352111914 937036989 /nfs/dbraw/zinc/03/69/89/937036989.db2.gz JLYVVZMMMIVCNE-DUVNUKRYSA-N 2 1 294.389 3.127 20 0 CGADMP CCC[C@H](CC)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398286930 926942152 /nfs/dbraw/zinc/94/21/52/926942152.db2.gz JGIRRFIABKJGFN-WNRNVDISSA-N 2 1 272.436 3.285 20 0 CGADMP CCC[C@H](CC)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398286930 926942156 /nfs/dbraw/zinc/94/21/56/926942156.db2.gz JGIRRFIABKJGFN-WNRNVDISSA-N 2 1 272.436 3.285 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@H]2C1 ZINC001343334403 927037315 /nfs/dbraw/zinc/03/73/15/927037315.db2.gz SFBBNWAOHPLHFC-YLFCFFPRSA-N 2 1 262.441 3.005 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261961116 927207796 /nfs/dbraw/zinc/20/77/96/927207796.db2.gz PGPXCUKXWMTXHF-RISCZKNCSA-N 2 1 286.341 3.183 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CCCCC1 ZINC000921486262 927621643 /nfs/dbraw/zinc/62/16/43/927621643.db2.gz GWMDXWXHCGJRMF-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC001474437303 937205441 /nfs/dbraw/zinc/20/54/41/937205441.db2.gz WQZDMLGUQUYFTC-OCCSQVGLSA-N 2 1 292.389 3.381 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)CC(C)(C)C ZINC001459949135 928727220 /nfs/dbraw/zinc/72/72/20/928727220.db2.gz DXRYTIKYDBIMPJ-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cncc3ccccc32)C[C@@H]1C[NH3+] ZINC000397241831 928803971 /nfs/dbraw/zinc/80/39/71/928803971.db2.gz MEXCFZDPDFDTHE-YCPHGPKFSA-N 2 1 283.419 3.040 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC3CCC2CC3)[C@H](C)C1 ZINC001459672301 937495620 /nfs/dbraw/zinc/49/56/20/937495620.db2.gz ZUSWHAKYGNROSW-BNGPMPHDSA-N 2 1 278.484 3.475 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCC2(CCC2)O1 ZINC001459580629 937492247 /nfs/dbraw/zinc/49/22/47/937492247.db2.gz NVIXTVDPUMBTOG-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCC2(CCC2)O1 ZINC001459580629 937492249 /nfs/dbraw/zinc/49/22/49/937492249.db2.gz NVIXTVDPUMBTOG-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCC2(CCC2)O1 ZINC001459580629 937492250 /nfs/dbraw/zinc/49/22/50/937492250.db2.gz NVIXTVDPUMBTOG-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCC2(CCC2)O1 ZINC001459580629 937492252 /nfs/dbraw/zinc/49/22/52/937492252.db2.gz NVIXTVDPUMBTOG-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP CCCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@H](C)c1ccccc1 ZINC001459614502 937494216 /nfs/dbraw/zinc/49/42/16/937494216.db2.gz OSYZRBFDELIESG-SJLPKXTDSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@H](C)c1ccccc1 ZINC001459614502 937494218 /nfs/dbraw/zinc/49/42/18/937494218.db2.gz OSYZRBFDELIESG-SJLPKXTDSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)c1ccccc1 ZINC001459614502 937494220 /nfs/dbraw/zinc/49/42/20/937494220.db2.gz OSYZRBFDELIESG-SJLPKXTDSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1ccccc1 ZINC001459614502 937494221 /nfs/dbraw/zinc/49/42/21/937494221.db2.gz OSYZRBFDELIESG-SJLPKXTDSA-N 2 1 292.467 3.162 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)CCC2 ZINC001459862370 937503701 /nfs/dbraw/zinc/50/37/01/937503701.db2.gz BMGWLLDWZQQNGB-CQSZACIVSA-N 2 1 283.419 3.192 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651205 937538479 /nfs/dbraw/zinc/53/84/79/937538479.db2.gz HLZZXCVBRRPJLR-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651205 937538480 /nfs/dbraw/zinc/53/84/80/937538480.db2.gz HLZZXCVBRRPJLR-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651205 937538482 /nfs/dbraw/zinc/53/84/82/937538482.db2.gz HLZZXCVBRRPJLR-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651205 937538484 /nfs/dbraw/zinc/53/84/84/937538484.db2.gz HLZZXCVBRRPJLR-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC001460651205 937538485 /nfs/dbraw/zinc/53/84/85/937538485.db2.gz HLZZXCVBRRPJLR-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647774 937538514 /nfs/dbraw/zinc/53/85/14/937538514.db2.gz AYSAZFOEUFDKAC-ROUUACIJSA-N 2 1 290.426 3.432 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000163471001 932002950 /nfs/dbraw/zinc/00/29/50/932002950.db2.gz UBPRZVDMTSQCFD-CZUORRHYSA-N 2 1 260.425 3.029 20 0 CGADMP CCc1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC001461050694 937561176 /nfs/dbraw/zinc/56/11/76/937561176.db2.gz JTILSUCJVWTCPL-AWEZNQCLSA-N 2 1 295.496 3.450 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC001461069381 937562237 /nfs/dbraw/zinc/56/22/37/937562237.db2.gz WOZLUBRFOWYUGC-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001461181094 937567926 /nfs/dbraw/zinc/56/79/26/937567926.db2.gz ZJOYIZIEWRCICF-VSZNYVQBSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001461181094 937567930 /nfs/dbraw/zinc/56/79/30/937567930.db2.gz ZJOYIZIEWRCICF-VSZNYVQBSA-N 2 1 294.483 3.044 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccs2)CC1 ZINC001461883960 937603940 /nfs/dbraw/zinc/60/39/40/937603940.db2.gz JXVAAHJCHZWJPT-ZDUSSCGKSA-N 2 1 266.454 3.473 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001462202374 937624726 /nfs/dbraw/zinc/62/47/26/937624726.db2.gz NEBXJKRYJPXINY-OALUTQOASA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001462202374 937624728 /nfs/dbraw/zinc/62/47/28/937624728.db2.gz NEBXJKRYJPXINY-OALUTQOASA-N 2 1 286.463 3.262 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC001331833202 932720856 /nfs/dbraw/zinc/72/08/56/932720856.db2.gz GWVSYIRELWPAJH-WDEREUQCSA-N 2 1 290.329 3.234 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)CC1 ZINC001462371161 937636313 /nfs/dbraw/zinc/63/63/13/937636313.db2.gz BAMNSVFCIHUOSF-DLBZAZTESA-N 2 1 278.484 3.476 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC001307476740 932957324 /nfs/dbraw/zinc/95/73/24/932957324.db2.gz HEOWTOQNPWPTHX-INIZCTEOSA-N 2 1 254.462 3.476 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1ccccc1Cl ZINC001307849702 933008072 /nfs/dbraw/zinc/00/80/72/933008072.db2.gz PYPNPZHWBJSVDX-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCc1cccs1 ZINC001308038492 933039056 /nfs/dbraw/zinc/03/90/56/933039056.db2.gz LSDPHKBEEFNYGY-UHFFFAOYSA-N 2 1 280.481 3.489 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041409 933039432 /nfs/dbraw/zinc/03/94/32/933039432.db2.gz SSOUGUWVRMUNKG-HOTGVXAUSA-N 2 1 281.403 3.353 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1C=CCCCCC1 ZINC001308089166 933046934 /nfs/dbraw/zinc/04/69/34/933046934.db2.gz KSOURKATZGYUEX-WMZOPIPTSA-N 2 1 285.435 3.481 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001308203252 933071901 /nfs/dbraw/zinc/07/19/01/933071901.db2.gz NMWUYSIWMQSTMQ-KZNAEPCWSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C)CC2)C1 ZINC001308231760 933077138 /nfs/dbraw/zinc/07/71/38/933077138.db2.gz LWMIHBWZWYIORP-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@H]2c2ccccc2)CC1 ZINC001308591269 933137636 /nfs/dbraw/zinc/13/76/36/933137636.db2.gz ONVZEBWEQBWCSK-QGZVFWFLSA-N 2 1 272.436 3.411 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2C)CC1 ZINC001308942677 933208983 /nfs/dbraw/zinc/20/89/83/933208983.db2.gz JACLNAWSDUEGQR-UHFFFAOYSA-N 2 1 272.436 3.445 20 0 CGADMP CC[NH+](CC)CC[C@@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC001308980668 933220293 /nfs/dbraw/zinc/22/02/93/933220293.db2.gz ATUQAUJYCRTIQL-DOTOQJQBSA-N 2 1 278.440 3.084 20 0 CGADMP CCCC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC001319326668 933858228 /nfs/dbraw/zinc/85/82/28/933858228.db2.gz XDZVQMVPUFELAE-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC001319755092 933926966 /nfs/dbraw/zinc/92/69/66/933926966.db2.gz NAXWPTOQPKPBSA-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC001323977234 934445000 /nfs/dbraw/zinc/44/50/00/934445000.db2.gz NBJRLMPNWZFSRU-RHSMWYFYSA-N 2 1 288.435 3.004 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC001325742108 934925957 /nfs/dbraw/zinc/92/59/57/934925957.db2.gz BKIUXQUUXHRVSL-FZMZJTMJSA-N 2 1 282.815 3.141 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC001326045542 934947065 /nfs/dbraw/zinc/94/70/65/934947065.db2.gz JFHKZFNYNSEAKJ-OAGGEKHMSA-N 2 1 296.499 3.290 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC001328086524 935115582 /nfs/dbraw/zinc/11/55/82/935115582.db2.gz SVMLTRSKRSEASI-AEFFLSMTSA-N 2 1 289.467 3.114 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC001329022976 935179332 /nfs/dbraw/zinc/17/93/32/935179332.db2.gz IJCRFZUBKWATNY-GXFFZTMASA-N 2 1 284.856 3.465 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCc3c1cccc3F)C2 ZINC001330566349 935297338 /nfs/dbraw/zinc/29/73/38/935297338.db2.gz JAQVNCMZHRCPFO-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCc3c1cccc3F)C2 ZINC001330566349 935297340 /nfs/dbraw/zinc/29/73/40/935297340.db2.gz JAQVNCMZHRCPFO-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCc3c1cccc3F)C2 ZINC001330566349 935297345 /nfs/dbraw/zinc/29/73/45/935297345.db2.gz JAQVNCMZHRCPFO-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCc3c1cccc3F)C2 ZINC001330566349 935297349 /nfs/dbraw/zinc/29/73/49/935297349.db2.gz JAQVNCMZHRCPFO-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001333159991 935514903 /nfs/dbraw/zinc/51/49/03/935514903.db2.gz BJJBMAASCLSQBS-ZIAGYGMSSA-N 2 1 287.432 3.026 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC001333424538 935534344 /nfs/dbraw/zinc/53/43/44/935534344.db2.gz SYCUSPCTMBUDGW-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC001333586040 935549271 /nfs/dbraw/zinc/54/92/71/935549271.db2.gz CLKHZLXPIJBGNG-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001333843527 936070409 /nfs/dbraw/zinc/07/04/09/936070409.db2.gz XKCOQEOFUAPSRD-KKUMJFAQSA-N 2 1 276.424 3.004 20 0 CGADMP Cc1cccc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[nH+]1 ZINC001337915904 936298132 /nfs/dbraw/zinc/29/81/32/936298132.db2.gz RVGJBKUPYIVIEQ-CABCVRRESA-N 2 1 273.424 3.455 20 0 CGADMP Cc1cccc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[nH+]1 ZINC001337915904 936298135 /nfs/dbraw/zinc/29/81/35/936298135.db2.gz RVGJBKUPYIVIEQ-CABCVRRESA-N 2 1 273.424 3.455 20 0 CGADMP Cc1cccc(Cl)c1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842619 937824697 /nfs/dbraw/zinc/82/46/97/937824697.db2.gz SBPAYCDEFBGUIV-CJNGLKHVSA-N 2 1 278.827 3.032 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC001474303131 937849674 /nfs/dbraw/zinc/84/96/74/937849674.db2.gz QYEFVQQOTVENIL-XZJROXQQSA-N 2 1 288.366 3.002 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC001474303131 937849676 /nfs/dbraw/zinc/84/96/76/937849676.db2.gz QYEFVQQOTVENIL-XZJROXQQSA-N 2 1 288.366 3.002 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C)oc1C ZINC001474304229 937850007 /nfs/dbraw/zinc/85/00/07/937850007.db2.gz LOGNNFUNMFUDAY-GFCCVEGCSA-N 2 1 252.402 3.106 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C(C)C)C2)CC1 ZINC001474453393 937860583 /nfs/dbraw/zinc/86/05/83/937860583.db2.gz UZWZAXKZMQXTIC-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC001474612207 937870325 /nfs/dbraw/zinc/87/03/25/937870325.db2.gz CNWNETQTLOMIBJ-HOTGVXAUSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CC1 ZINC001474670067 937873931 /nfs/dbraw/zinc/87/39/31/937873931.db2.gz AWNXNARTIBGMKX-CZUORRHYSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CC1 ZINC001474670067 937873932 /nfs/dbraw/zinc/87/39/32/937873932.db2.gz AWNXNARTIBGMKX-CZUORRHYSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)CCCC[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001474747392 937878835 /nfs/dbraw/zinc/87/88/35/937878835.db2.gz BVMLJGLWJJJKNN-ULQDDVLXSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549087436 938154891 /nfs/dbraw/zinc/15/48/91/938154891.db2.gz KTYWNHGZYIVRCE-BLLLJJGKSA-N 2 1 293.480 3.001 20 0 CGADMP CC(C)(C)c1ncc(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549087436 938154892 /nfs/dbraw/zinc/15/48/92/938154892.db2.gz KTYWNHGZYIVRCE-BLLLJJGKSA-N 2 1 293.480 3.001 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3ccsc32)C1 ZINC001549546924 938157783 /nfs/dbraw/zinc/15/77/83/938157783.db2.gz OAGQTRQGLRETEQ-GXTWGEPZSA-N 2 1 264.438 3.057 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccncc2)C2CCC2)CC1(C)C ZINC001550242723 938164619 /nfs/dbraw/zinc/16/46/19/938164619.db2.gz SUNFTDKQQLXZMJ-IAGOWNOFSA-N 2 1 287.451 3.385 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(C)(C)C)oc2C)C1 ZINC001560273422 938250589 /nfs/dbraw/zinc/25/05/89/938250589.db2.gz RGHWXKLPJUXHBG-AWEZNQCLSA-N 2 1 278.440 3.317 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(C)(C)C)oc2C)C1 ZINC001560273422 938250590 /nfs/dbraw/zinc/25/05/90/938250590.db2.gz RGHWXKLPJUXHBG-AWEZNQCLSA-N 2 1 278.440 3.317 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001560882234 938281681 /nfs/dbraw/zinc/28/16/81/938281681.db2.gz FHNPHSUJEAWFAA-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001560882234 938281682 /nfs/dbraw/zinc/28/16/82/938281682.db2.gz FHNPHSUJEAWFAA-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039073 938290954 /nfs/dbraw/zinc/29/09/54/938290954.db2.gz HUSPGOFWADBIKG-LSDHHAIUSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001258774405 960428177 /nfs/dbraw/zinc/42/81/77/960428177.db2.gz NETAVTHLDVCOSW-GOSISDBHSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@H]([NH3+])C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001576158706 960474861 /nfs/dbraw/zinc/47/48/61/960474861.db2.gz IDYKXROEJCPGHE-JTQLQIEISA-N 2 1 272.314 3.021 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC001576158735 960481055 /nfs/dbraw/zinc/48/10/55/960481055.db2.gz IOYPCUSDQZFHFI-ZANVPECISA-N 2 1 297.240 3.009 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCc2ccccc2F)C1 ZINC001575116205 962345311 /nfs/dbraw/zinc/34/53/11/962345311.db2.gz QNGDTUBJMYRRQP-KRWDZBQOSA-N 2 1 278.415 3.065 20 0 CGADMP CC(C)(C)OCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001575248924 962357065 /nfs/dbraw/zinc/35/70/65/962357065.db2.gz BZPSORZUEWUWQJ-NVXWUHKLSA-N 2 1 296.499 3.421 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC001575423469 962374171 /nfs/dbraw/zinc/37/41/71/962374171.db2.gz USYDZANBWWHASQ-ZDUSSCGKSA-N 2 1 288.357 3.368 20 0 CGADMP CC(C)[C@@H]1[N@@H+](Cc2cccc(C[NH3+])c2)CC12CCC2 ZINC001575520685 962388587 /nfs/dbraw/zinc/38/85/87/962388587.db2.gz LFWZJVMPYUFPRB-INIZCTEOSA-N 2 1 258.409 3.156 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC001575859852 962423559 /nfs/dbraw/zinc/42/35/59/962423559.db2.gz SJQHTKZSVBEXJS-SJORKVTESA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC001575859852 962423564 /nfs/dbraw/zinc/42/35/64/962423564.db2.gz SJQHTKZSVBEXJS-SJORKVTESA-N 2 1 258.409 3.123 20 0 CGADMP CC1(C)CCC(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001576409742 962455882 /nfs/dbraw/zinc/45/58/82/962455882.db2.gz MVHRIWCVZDAUNE-GDBMZVCRSA-N 2 1 250.430 3.016 20 0 CGADMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC001576392144 962457245 /nfs/dbraw/zinc/45/72/45/962457245.db2.gz XTWJAWJOZPPJTO-OIISXLGYSA-N 2 1 284.403 3.299 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2cc3ccccc3o2)[C@H]2CCC[NH2+][C@H]21 ZINC001576391693 962458221 /nfs/dbraw/zinc/45/82/21/962458221.db2.gz VWPOEAMMOYSKGN-USXIJHARSA-N 2 1 284.403 3.299 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC001576434681 962460169 /nfs/dbraw/zinc/46/01/69/962460169.db2.gz IGOUVFULSWUDTM-CABCVRRESA-N 2 1 252.446 3.264 20 0 CGADMP C[C@@]1(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001576502640 962464792 /nfs/dbraw/zinc/46/47/92/962464792.db2.gz DNGIJYBMPIYSDJ-ZWKOTPCHSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)[C@H]2CCCC[C@@H]12 ZINC001576809234 962491471 /nfs/dbraw/zinc/49/14/71/962491471.db2.gz QQFKKLLDSZJVOH-COXVUDFISA-N 2 1 258.409 3.156 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC001577377403 962534791 /nfs/dbraw/zinc/53/47/91/962534791.db2.gz MPVMLXIZOZJWCU-KLHDSHLOSA-N 2 1 252.446 3.181 20 0 CGADMP Cn1cc(Cl)cc1C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578463640 962590541 /nfs/dbraw/zinc/59/05/41/962590541.db2.gz MDYXOLNCKPGFAF-LQDVMPOASA-N 2 1 295.858 3.031 20 0 CGADMP COCC[C@@H]([NH3+])C[N@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001579000644 962600358 /nfs/dbraw/zinc/60/03/58/962600358.db2.gz ZWCAQYUIIDXMPP-GOSISDBHSA-N 2 1 292.467 3.125 20 0 CGADMP COC1(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC1 ZINC001578926343 962604779 /nfs/dbraw/zinc/60/47/79/962604779.db2.gz FMZNPIDUNVJEHG-IAGOWNOFSA-N 2 1 288.435 3.029 20 0 CGADMP CS[C@@H]1CC[C@H]([N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC001579368267 962617089 /nfs/dbraw/zinc/61/70/89/962617089.db2.gz XIVAXHUEPODQMZ-HZSPNIEDSA-N 2 1 272.502 3.356 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC001579383290 962619521 /nfs/dbraw/zinc/61/95/21/962619521.db2.gz YDSOKNMFVCEHSB-OAHLLOKOSA-N 2 1 266.454 3.013 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC001579572183 962634228 /nfs/dbraw/zinc/63/42/28/962634228.db2.gz RDCXXGAIMDFMPR-LSLCWXNRSA-N 2 1 284.447 3.309 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC001579572183 962634250 /nfs/dbraw/zinc/63/42/50/962634250.db2.gz RDCXXGAIMDFMPR-LSLCWXNRSA-N 2 1 284.447 3.309 20 0 CGADMP Cc1cc(NCCCCCC2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001579635287 962643798 /nfs/dbraw/zinc/64/37/98/962643798.db2.gz CSDWZQWYFJJJBR-UHFFFAOYSA-N 2 1 276.428 3.065 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)[nH]c2c1 ZINC001579739829 962662736 /nfs/dbraw/zinc/66/27/36/962662736.db2.gz BQMNKTLLUZSNRB-DZGCQCFKSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ncoc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001579888119 962683413 /nfs/dbraw/zinc/68/34/13/962683413.db2.gz OLCOWOTYABYXBA-GOEBONIOSA-N 2 1 291.439 3.103 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccccc2C1)C1CCCCC1 ZINC001580228461 962705191 /nfs/dbraw/zinc/70/51/91/962705191.db2.gz BSVHPFAZTCWCPB-OALUTQOASA-N 2 1 286.463 3.431 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC001580244183 962707042 /nfs/dbraw/zinc/70/70/42/962707042.db2.gz SGNZEECCFTVBFB-IBGZPJMESA-N 2 1 284.447 3.095 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000337421076 214072166 /nfs/dbraw/zinc/07/21/66/214072166.db2.gz FRWQJCMDNIZNIX-CVEARBPZSA-N 2 1 262.441 3.173 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000337421076 214072168 /nfs/dbraw/zinc/07/21/68/214072168.db2.gz FRWQJCMDNIZNIX-CVEARBPZSA-N 2 1 262.441 3.173 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccccc1 ZINC000124803721 187154953 /nfs/dbraw/zinc/15/49/53/187154953.db2.gz FHLXFZMBOVDLIX-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000124803721 187154954 /nfs/dbraw/zinc/15/49/54/187154954.db2.gz FHLXFZMBOVDLIX-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000124803721 187154955 /nfs/dbraw/zinc/15/49/55/187154955.db2.gz FHLXFZMBOVDLIX-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335488167 212165751 /nfs/dbraw/zinc/16/57/51/212165751.db2.gz NRCKNESOESTODF-HNNXBMFYSA-N 2 1 262.372 3.105 20 0 CGADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000651670478 398265674 /nfs/dbraw/zinc/26/56/74/398265674.db2.gz KJDAIIRPWGRIQE-HOTGVXAUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651669109 398266032 /nfs/dbraw/zinc/26/60/32/398266032.db2.gz FUCCUCDOUQENAV-AWEZNQCLSA-N 2 1 287.407 3.182 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651669109 398266035 /nfs/dbraw/zinc/26/60/35/398266035.db2.gz FUCCUCDOUQENAV-AWEZNQCLSA-N 2 1 287.407 3.182 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000651672821 398266446 /nfs/dbraw/zinc/26/64/46/398266446.db2.gz MBANPKPKYYBKCB-FVQBIDKESA-N 2 1 263.429 3.386 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000651686259 398268910 /nfs/dbraw/zinc/26/89/10/398268910.db2.gz VYMITGKQJZLFKE-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705036 398271946 /nfs/dbraw/zinc/27/19/46/398271946.db2.gz DWQLCWICCQWBQT-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2c1CCC2 ZINC000651808912 398290833 /nfs/dbraw/zinc/29/08/33/398290833.db2.gz IPQZIWFALLAFCU-UHFFFAOYSA-N 2 1 283.419 3.202 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2c1CCC2 ZINC000651808912 398290834 /nfs/dbraw/zinc/29/08/34/398290834.db2.gz IPQZIWFALLAFCU-UHFFFAOYSA-N 2 1 283.419 3.202 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000337948182 214327162 /nfs/dbraw/zinc/32/71/62/214327162.db2.gz MDFWLGSIETVSLM-UHFFFAOYSA-N 2 1 298.365 3.059 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000651864693 398298191 /nfs/dbraw/zinc/29/81/91/398298191.db2.gz AQTYNEUSVADBMN-MRXNPFEDSA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000651864693 398298193 /nfs/dbraw/zinc/29/81/93/398298193.db2.gz AQTYNEUSVADBMN-MRXNPFEDSA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000651911283 398305474 /nfs/dbraw/zinc/30/54/74/398305474.db2.gz OELQYGKKGVSYFF-SWLSCSKDSA-N 2 1 250.430 3.028 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCCn2cc[nH+]c2C)[C@H](C)[C@H]1OC ZINC000338019456 214365052 /nfs/dbraw/zinc/36/50/52/214365052.db2.gz LBERQYYWVOYJLR-NUEKZKHPSA-N 2 1 293.455 3.011 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000423467779 529453180 /nfs/dbraw/zinc/45/31/80/529453180.db2.gz OBYKFPNDTXMZIF-ZFWWWQNUSA-N 2 1 264.413 3.109 20 0 CGADMP CC[C@H](F)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000440532929 529438722 /nfs/dbraw/zinc/43/87/22/529438722.db2.gz PURSYMNXRINYHL-CIRFHOKZSA-N 2 1 292.442 3.481 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423484020 529567838 /nfs/dbraw/zinc/56/78/38/529567838.db2.gz YDERNTLWFILGNZ-MSOLQXFVSA-N 2 1 286.394 3.436 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(F)cn1 ZINC000357858938 529589470 /nfs/dbraw/zinc/58/94/70/529589470.db2.gz VTPBTIAKCZMVOV-HNNXBMFYSA-N 2 1 293.430 3.383 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(Br)c1 ZINC000423335960 529591569 /nfs/dbraw/zinc/59/15/69/529591569.db2.gz UKUATNGBPBNPKZ-ZDUSSCGKSA-N 2 1 297.240 3.371 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)cn1 ZINC000352682604 529620690 /nfs/dbraw/zinc/62/06/90/529620690.db2.gz FVWUUSUDORFJOM-ZBFHGGJFSA-N 2 1 293.430 3.382 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)cn1 ZINC000352682604 529620694 /nfs/dbraw/zinc/62/06/94/529620694.db2.gz FVWUUSUDORFJOM-ZBFHGGJFSA-N 2 1 293.430 3.382 20 0 CGADMP COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623342653 349783785 /nfs/dbraw/zinc/78/37/85/349783785.db2.gz GYEQPDIZRXXCFP-JSGCOSHPSA-N 2 1 294.414 3.358 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623342653 349783794 /nfs/dbraw/zinc/78/37/94/349783794.db2.gz GYEQPDIZRXXCFP-JSGCOSHPSA-N 2 1 294.414 3.358 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623335786 349780794 /nfs/dbraw/zinc/78/07/94/349780794.db2.gz DMXJXDIYPFNLEX-UHFFFAOYSA-N 2 1 294.386 3.444 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1F ZINC000623344836 349783963 /nfs/dbraw/zinc/78/39/63/349783963.db2.gz FECUOBGADLBMMS-AWEZNQCLSA-N 2 1 264.388 3.097 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccc1F ZINC000623344836 349783968 /nfs/dbraw/zinc/78/39/68/349783968.db2.gz FECUOBGADLBMMS-AWEZNQCLSA-N 2 1 264.388 3.097 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339363 349782966 /nfs/dbraw/zinc/78/29/66/349782966.db2.gz WNOLWUSMDGWPDZ-KBPBESRZSA-N 2 1 264.413 3.063 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000423257924 529619156 /nfs/dbraw/zinc/61/91/56/529619156.db2.gz ASQIDMQYGZGHAK-KBPBESRZSA-N 2 1 254.805 3.364 20 0 CGADMP C[N@H+]1CC[C@H](N[C@H]2CCCc3occc32)CC1(C)C ZINC000623356175 349787055 /nfs/dbraw/zinc/78/70/55/349787055.db2.gz AZLJUELTWODCEF-JSGCOSHPSA-N 2 1 262.397 3.119 20 0 CGADMP CN1CC[C@H]([NH2+][C@H]2CCCc3occc32)CC1(C)C ZINC000623356175 349787060 /nfs/dbraw/zinc/78/70/60/349787060.db2.gz AZLJUELTWODCEF-JSGCOSHPSA-N 2 1 262.397 3.119 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)CC1(C)C ZINC000623356175 349787063 /nfs/dbraw/zinc/78/70/63/349787063.db2.gz AZLJUELTWODCEF-JSGCOSHPSA-N 2 1 262.397 3.119 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)CC1(C)C ZINC000623356175 349787068 /nfs/dbraw/zinc/78/70/68/349787068.db2.gz AZLJUELTWODCEF-JSGCOSHPSA-N 2 1 262.397 3.119 20 0 CGADMP CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623372283 349792817 /nfs/dbraw/zinc/79/28/17/349792817.db2.gz NBCYWMUQCGLTKT-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623372283 349792822 /nfs/dbraw/zinc/79/28/22/349792822.db2.gz NBCYWMUQCGLTKT-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623429530 349806674 /nfs/dbraw/zinc/80/66/74/349806674.db2.gz HYQLITGVMRWYMH-UKRRQHHQSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432819 349808448 /nfs/dbraw/zinc/80/84/48/349808448.db2.gz LNALJFCAERZONG-HIFRSBDPSA-N 2 1 294.414 3.055 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)CC1(C)C ZINC000623446957 349811406 /nfs/dbraw/zinc/81/14/06/349811406.db2.gz YBXFBYWKAUQDHI-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP CCC(CC)[C@H](C[NH2+]CC1(SC)CC1)[NH+]1CCCC1 ZINC000347931608 282276640 /nfs/dbraw/zinc/27/66/40/282276640.db2.gz CPVVLNHUUKHGJH-HNNXBMFYSA-N 2 1 284.513 3.372 20 0 CGADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623451695 349813323 /nfs/dbraw/zinc/81/33/23/349813323.db2.gz GLCXPWWLXWOHHQ-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623486347 349818306 /nfs/dbraw/zinc/81/83/06/349818306.db2.gz XMDNDBDVBSKONM-ARFHVFGLSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506335 349823646 /nfs/dbraw/zinc/82/36/46/349823646.db2.gz NZFAVPNZVORNGB-CVEARBPZSA-N 2 1 294.483 3.331 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1(C)C ZINC000623557198 349833492 /nfs/dbraw/zinc/83/34/92/349833492.db2.gz NXZRTUPRYDZHGD-BRWVUGGUSA-N 2 1 272.436 3.253 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1(C)C ZINC000623533930 349828227 /nfs/dbraw/zinc/82/82/27/349828227.db2.gz NXZRTUPRYDZHGD-BBWFWOEESA-N 2 1 272.436 3.253 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560139 349834775 /nfs/dbraw/zinc/83/47/75/349834775.db2.gz WNGRZLYKDMOQEN-BHYGNILZSA-N 2 1 272.436 3.313 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2(C3CCC3)CCC2)CC1(C)C ZINC000623547744 349830911 /nfs/dbraw/zinc/83/09/11/349830911.db2.gz AGZKLXGDSWEOMS-CQSZACIVSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC1(C)C ZINC000623552124 349832210 /nfs/dbraw/zinc/83/22/10/349832210.db2.gz YCSSLARDENTFQU-IHRRRGAJSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623564492 349835794 /nfs/dbraw/zinc/83/57/94/349835794.db2.gz FNKREUZCIZUWTM-MRXNPFEDSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423528035 293203307 /nfs/dbraw/zinc/20/33/07/293203307.db2.gz NKIUCLIDZYOVHA-LLVKDONJSA-N 2 1 281.469 3.368 20 0 CGADMP c1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000128090283 187351294 /nfs/dbraw/zinc/35/12/94/187351294.db2.gz LHLRPZVXQHIYDB-JYSRZZCRSA-N 2 1 270.420 3.149 20 0 CGADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000623849849 349895516 /nfs/dbraw/zinc/89/55/16/349895516.db2.gz PZYSMPXEYGUKIN-LBPRGKRZSA-N 2 1 299.256 3.360 20 0 CGADMP Cc1ccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc2n1 ZINC000295088946 199338860 /nfs/dbraw/zinc/33/88/60/199338860.db2.gz SXVRMNWWUPEFEI-AYHJJNSGSA-N 2 1 295.430 3.258 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1C ZINC000351603081 219142665 /nfs/dbraw/zinc/14/26/65/219142665.db2.gz RFLGPPQPURQZAG-QGZVFWFLSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000351603081 219142667 /nfs/dbraw/zinc/14/26/67/219142667.db2.gz RFLGPPQPURQZAG-QGZVFWFLSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000351603081 219142669 /nfs/dbraw/zinc/14/26/69/219142669.db2.gz RFLGPPQPURQZAG-QGZVFWFLSA-N 2 1 260.425 3.077 20 0 CGADMP C[C@H]1CCC[C@](C[NH2+]C(C2CC2)C2CC2)([NH+](C)C)C1 ZINC000040668361 344964944 /nfs/dbraw/zinc/96/49/44/344964944.db2.gz ZHTLLEHTASYBRS-GUYCJALGSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534869 345012971 /nfs/dbraw/zinc/01/29/71/345012971.db2.gz ZRVRILRDMXMDEC-JKSUJKDBSA-N 2 1 290.451 3.466 20 0 CGADMP CC(C)CCOC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351633956 219155467 /nfs/dbraw/zinc/15/54/67/219155467.db2.gz PUNFTXDLXWGQRT-QGZVFWFLSA-N 2 1 296.499 3.388 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000127397746 187302188 /nfs/dbraw/zinc/30/21/88/187302188.db2.gz DPTCYYMNRWDPCR-MAUKXSAKSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000127397746 187302189 /nfs/dbraw/zinc/30/21/89/187302189.db2.gz DPTCYYMNRWDPCR-MAUKXSAKSA-N 2 1 283.419 3.460 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070171668 345388385 /nfs/dbraw/zinc/38/83/85/345388385.db2.gz IIFGHTVKOWEAMX-GDBMZVCRSA-N 2 1 276.424 3.035 20 0 CGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1 ZINC000071376870 345402198 /nfs/dbraw/zinc/40/21/98/345402198.db2.gz GURSJTUYDKJEOE-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1 ZINC000071376870 345402204 /nfs/dbraw/zinc/40/22/04/345402204.db2.gz GURSJTUYDKJEOE-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+]CCCn1cc[nH+]c1C ZINC000127430452 187306142 /nfs/dbraw/zinc/30/61/42/187306142.db2.gz XUBBFMNUYKHARZ-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636225 345716492 /nfs/dbraw/zinc/71/64/92/345716492.db2.gz NBIQBHIDBJUYJU-QGZVFWFLSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636225 345716494 /nfs/dbraw/zinc/71/64/94/345716494.db2.gz NBIQBHIDBJUYJU-QGZVFWFLSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636225 345716498 /nfs/dbraw/zinc/71/64/98/345716498.db2.gz NBIQBHIDBJUYJU-QGZVFWFLSA-N 2 1 272.436 3.159 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000092043352 345827873 /nfs/dbraw/zinc/82/78/73/345827873.db2.gz KTCUSYZOLFTIDE-HCXYKTFWSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000092043352 345827877 /nfs/dbraw/zinc/82/78/77/345827877.db2.gz KTCUSYZOLFTIDE-HCXYKTFWSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000092043352 345827882 /nfs/dbraw/zinc/82/78/82/345827882.db2.gz KTCUSYZOLFTIDE-HCXYKTFWSA-N 2 1 284.447 3.206 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000168946446 232266162 /nfs/dbraw/zinc/26/61/62/232266162.db2.gz FXYRTAJTIPUMLL-KBRIMQKVSA-N 2 1 292.854 3.487 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C)[C@H](C)C1 ZINC000351658599 219165655 /nfs/dbraw/zinc/16/56/55/219165655.db2.gz IXXFCFRMPVTSPO-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2C)[C@H](C)C1 ZINC000351658599 219165657 /nfs/dbraw/zinc/16/56/57/219165657.db2.gz IXXFCFRMPVTSPO-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2C)[C@H](C)C1 ZINC000351658599 219165659 /nfs/dbraw/zinc/16/56/59/219165659.db2.gz IXXFCFRMPVTSPO-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccnc2ccccc12 ZINC000156696074 346159434 /nfs/dbraw/zinc/15/94/34/346159434.db2.gz OFRKRKWBSBTPML-MRXNPFEDSA-N 2 1 271.408 3.040 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000227055512 346308395 /nfs/dbraw/zinc/30/83/95/346308395.db2.gz ZNLHZPGRNXPLOC-HRCADAONSA-N 2 1 260.425 3.342 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000315291839 346483423 /nfs/dbraw/zinc/48/34/23/346483423.db2.gz JDMUKSUMGQFXLV-CVEARBPZSA-N 2 1 292.467 3.335 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000315291839 346483425 /nfs/dbraw/zinc/48/34/25/346483425.db2.gz JDMUKSUMGQFXLV-CVEARBPZSA-N 2 1 292.467 3.335 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCC2 ZINC000624120624 349976727 /nfs/dbraw/zinc/97/67/27/349976727.db2.gz CQRZJHOIQIKEAN-KGLIPLIRSA-N 2 1 293.480 3.150 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119867 349976965 /nfs/dbraw/zinc/97/69/65/349976965.db2.gz LBXWHFOAIAORCZ-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CC2 ZINC000624121006 349978498 /nfs/dbraw/zinc/97/84/98/349978498.db2.gz LMJOSCUWXYEBMI-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000624123153 349981725 /nfs/dbraw/zinc/98/17/25/349981725.db2.gz GTPKSOTWXSKGNP-AWEZNQCLSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122740 349982023 /nfs/dbraw/zinc/98/20/23/349982023.db2.gz ZULFXRYUESZALC-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000339405942 215150217 /nfs/dbraw/zinc/15/02/17/215150217.db2.gz DQEJWBMIGPXOAT-UONOGXRCSA-N 2 1 293.480 3.133 20 0 CGADMP CC[NH+](CC)C[C@@H](C)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000607144187 348223547 /nfs/dbraw/zinc/22/35/47/348223547.db2.gz YBZFYZUBLXSOTA-GFCCVEGCSA-N 2 1 291.826 3.452 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3c(F)cccc3Cl)C[C@@H]12 ZINC000339408336 215153733 /nfs/dbraw/zinc/15/37/33/215153733.db2.gz ZFBZUKUOFTZFLJ-AXAPSJFSSA-N 2 1 296.817 3.081 20 0 CGADMP CC[N@@H+](CCCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000339409836 215155635 /nfs/dbraw/zinc/15/56/35/215155635.db2.gz NZJMPEABPXWHGC-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1cccc([C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431276 215164373 /nfs/dbraw/zinc/16/43/73/215164373.db2.gz IVBFUYDDZAKGDE-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431276 215164376 /nfs/dbraw/zinc/16/43/76/215164376.db2.gz IVBFUYDDZAKGDE-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339431276 215164378 /nfs/dbraw/zinc/16/43/78/215164378.db2.gz IVBFUYDDZAKGDE-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339431276 215164380 /nfs/dbraw/zinc/16/43/80/215164380.db2.gz IVBFUYDDZAKGDE-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC(C(C)(C)C)C2)s1 ZINC000339470064 215192084 /nfs/dbraw/zinc/19/20/84/215192084.db2.gz SMNPFJJTHOZYGA-UHFFFAOYSA-N 2 1 281.469 3.119 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000359662047 233353491 /nfs/dbraw/zinc/35/34/91/233353491.db2.gz ISKWYEADWVOIBE-JQWIXIFHSA-N 2 1 266.351 3.037 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cc(C)ccc1C ZINC000626020408 350248901 /nfs/dbraw/zinc/24/89/01/350248901.db2.gz KJLOCGRYGIDLEN-WMZOPIPTSA-N 2 1 292.467 3.045 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cc(C)ccc1C ZINC000626020408 350248903 /nfs/dbraw/zinc/24/89/03/350248903.db2.gz KJLOCGRYGIDLEN-WMZOPIPTSA-N 2 1 292.467 3.045 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cncc(C)c1 ZINC000626063311 350254799 /nfs/dbraw/zinc/25/47/99/350254799.db2.gz YXYZSXMQNIYIFQ-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351281 191089597 /nfs/dbraw/zinc/08/95/97/191089597.db2.gz YMFNRQSKFKPSKE-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351281 191089599 /nfs/dbraw/zinc/08/95/99/191089599.db2.gz YMFNRQSKFKPSKE-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351281 191089600 /nfs/dbraw/zinc/08/96/00/191089600.db2.gz YMFNRQSKFKPSKE-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352174608 219347111 /nfs/dbraw/zinc/34/71/11/219347111.db2.gz CCXHXXWPOZNMBP-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000628149529 350411221 /nfs/dbraw/zinc/41/12/21/350411221.db2.gz COLKDIUPUHTPSL-INIZCTEOSA-N 2 1 284.513 3.324 20 0 CGADMP c1cc(C[N@H+]2CCCC3(CC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000628480315 350550425 /nfs/dbraw/zinc/55/04/25/350550425.db2.gz PMKKFBZOZVQFLT-UHFFFAOYSA-N 2 1 282.391 3.033 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000034996638 282711543 /nfs/dbraw/zinc/71/15/43/282711543.db2.gz HWLSZWIZMQGCCX-SQWLQELKSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629546899 350710297 /nfs/dbraw/zinc/71/02/97/350710297.db2.gz YVSWKBWEWJXXCL-KKJSVHSVSA-N 2 1 284.856 3.234 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000629549080 350711197 /nfs/dbraw/zinc/71/11/97/350711197.db2.gz PZURNCGPPAAULV-ZFWWWQNUSA-N 2 1 275.440 3.079 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000629549080 350711198 /nfs/dbraw/zinc/71/11/98/350711198.db2.gz PZURNCGPPAAULV-ZFWWWQNUSA-N 2 1 275.440 3.079 20 0 CGADMP C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000629549752 350711393 /nfs/dbraw/zinc/71/13/93/350711393.db2.gz HXWURHYVZAFQIE-KOLCDFICSA-N 2 1 292.370 3.245 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(c3c(F)cccc3F)CCC2)C1 ZINC000629555673 350712690 /nfs/dbraw/zinc/71/26/90/350712690.db2.gz AKZUKTTTYCEYPX-VXGBXAGGSA-N 2 1 280.362 3.204 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1C(F)(F)F ZINC000629561802 350713892 /nfs/dbraw/zinc/71/38/92/350713892.db2.gz JPQWSHLNPSLEMW-CHWSQXEVSA-N 2 1 278.362 3.026 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629411993 350690184 /nfs/dbraw/zinc/69/01/84/350690184.db2.gz JLSGEXAYZFOIET-IJLUTSLNSA-N 2 1 286.872 3.453 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC000629410469 350690291 /nfs/dbraw/zinc/69/02/91/350690291.db2.gz FHYDEXZNKUTQLD-ISWURRPUSA-N 2 1 276.399 3.192 20 0 CGADMP c1ccc([C@H]2CCCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629409886 350690460 /nfs/dbraw/zinc/69/04/60/350690460.db2.gz VTZONDFOVVMCTJ-GVDBMIGSSA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)(F)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000631189666 350984883 /nfs/dbraw/zinc/98/48/83/350984883.db2.gz WAYCHJGMBAFXPH-UHFFFAOYSA-N 2 1 296.405 3.170 20 0 CGADMP CC(C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196165 350987265 /nfs/dbraw/zinc/98/72/65/350987265.db2.gz NYIQOOKZDFELQC-RDJZCZTQSA-N 2 1 260.425 3.000 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631658791 351108427 /nfs/dbraw/zinc/10/84/27/351108427.db2.gz NLQVFQRLLJHCRX-HIFRSBDPSA-N 2 1 270.436 3.367 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(C)ccn1 ZINC000631569571 351070144 /nfs/dbraw/zinc/07/01/44/351070144.db2.gz KJNJDUZJNQOSRE-BBWFWOEESA-N 2 1 287.451 3.448 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(C)ccn1 ZINC000631569571 351070147 /nfs/dbraw/zinc/07/01/47/351070147.db2.gz KJNJDUZJNQOSRE-BBWFWOEESA-N 2 1 287.451 3.448 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC000631571806 351071616 /nfs/dbraw/zinc/07/16/16/351071616.db2.gz IRTOJQDORZVROS-KSSFIOAISA-N 2 1 288.435 3.004 20 0 CGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000631575538 351073268 /nfs/dbraw/zinc/07/32/68/351073268.db2.gz NCKIQBKNUFSJEN-UGSOOPFHSA-N 2 1 299.418 3.113 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)n1 ZINC000631827283 351148815 /nfs/dbraw/zinc/14/88/15/351148815.db2.gz KGKUYBPNIASVAH-KRWDZBQOSA-N 2 1 275.440 3.004 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679586 351565029 /nfs/dbraw/zinc/56/50/29/351565029.db2.gz ZEULYYPSQCXLPO-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679586 351565031 /nfs/dbraw/zinc/56/50/31/351565031.db2.gz ZEULYYPSQCXLPO-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000634733832 351579492 /nfs/dbraw/zinc/57/94/92/351579492.db2.gz PGTUOXWQXBNMQL-NSHDSACASA-N 2 1 272.845 3.269 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)oc1C ZINC000635010354 351628109 /nfs/dbraw/zinc/62/81/09/351628109.db2.gz JXJQLDTYOBTCNT-JSGCOSHPSA-N 2 1 264.413 3.325 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CNc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000635010095 351628496 /nfs/dbraw/zinc/62/84/96/351628496.db2.gz YGAJHWNUYIQPAC-XIVBQZFQSA-N 2 1 299.462 3.048 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000635011901 351629227 /nfs/dbraw/zinc/62/92/27/351629227.db2.gz QAXKZEDEIULSML-XHDPSFHLSA-N 2 1 294.389 3.320 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123508567 187096085 /nfs/dbraw/zinc/09/60/85/187096085.db2.gz UNYBLNUPVSINBJ-WBVHZDCISA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123508567 187096086 /nfs/dbraw/zinc/09/60/86/187096086.db2.gz UNYBLNUPVSINBJ-WBVHZDCISA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123508567 187096087 /nfs/dbraw/zinc/09/60/87/187096087.db2.gz UNYBLNUPVSINBJ-WBVHZDCISA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123508567 187096088 /nfs/dbraw/zinc/09/60/88/187096088.db2.gz UNYBLNUPVSINBJ-WBVHZDCISA-N 2 1 290.451 3.388 20 0 CGADMP Cc1cc([C@H]([NH2+]C2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000271523343 191191446 /nfs/dbraw/zinc/19/14/46/191191446.db2.gz OTEWFRXGABNRCC-QGZVFWFLSA-N 2 1 276.399 3.269 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000271534877 191197293 /nfs/dbraw/zinc/19/72/93/191197293.db2.gz KXCOGXZJHUMTSL-PBHICJAKSA-N 2 1 290.426 3.221 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cc(C)ccc1OC ZINC000271629224 191248453 /nfs/dbraw/zinc/24/84/53/191248453.db2.gz ZXGNJDJWUPTTEE-INIZCTEOSA-N 2 1 287.407 3.249 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000152726963 188038398 /nfs/dbraw/zinc/03/83/98/188038398.db2.gz AZVUTCREBGIYRB-BPIHKTFHSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCF ZINC000368509251 234317056 /nfs/dbraw/zinc/31/70/56/234317056.db2.gz YZPIRFPEJDFHGC-DOTOQJQBSA-N 2 1 278.415 3.236 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCF ZINC000368509251 234317060 /nfs/dbraw/zinc/31/70/60/234317060.db2.gz YZPIRFPEJDFHGC-DOTOQJQBSA-N 2 1 278.415 3.236 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Nc1ccccc1 ZINC000154120208 188124059 /nfs/dbraw/zinc/12/40/59/188124059.db2.gz SHSAOZBTMNQBMO-NXHRZFHOSA-N 2 1 289.467 3.195 20 0 CGADMP C[N@H+](Cc1ccc(OC(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000154833594 188164695 /nfs/dbraw/zinc/16/46/95/188164695.db2.gz VZMYAXYLJDAYES-UHFFFAOYSA-N 2 1 298.377 3.062 20 0 CGADMP C[C@@H]1C[C@@H](NCc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000155161777 188187954 /nfs/dbraw/zinc/18/79/54/188187954.db2.gz GSPGSDIMNCICFP-PWSUYJOCSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CCN1C ZINC000155161777 188187955 /nfs/dbraw/zinc/18/79/55/188187955.db2.gz GSPGSDIMNCICFP-PWSUYJOCSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000155161777 188187956 /nfs/dbraw/zinc/18/79/56/188187956.db2.gz GSPGSDIMNCICFP-PWSUYJOCSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000155161777 188187958 /nfs/dbraw/zinc/18/79/58/188187958.db2.gz GSPGSDIMNCICFP-PWSUYJOCSA-N 2 1 270.779 3.051 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292512823 198315428 /nfs/dbraw/zinc/31/54/28/198315428.db2.gz DIMOPWNEOBSBQY-CZIWCDLHSA-N 2 1 299.393 3.323 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336433981 213295005 /nfs/dbraw/zinc/29/50/05/213295005.db2.gz XALIFMBGPJXNGI-HNNXBMFYSA-N 2 1 258.409 3.308 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158497970 188378906 /nfs/dbraw/zinc/37/89/06/188378906.db2.gz GXEZYYJHLBLWGM-CKEIUWERSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158497970 188378907 /nfs/dbraw/zinc/37/89/07/188378907.db2.gz GXEZYYJHLBLWGM-CKEIUWERSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158497970 188378909 /nfs/dbraw/zinc/37/89/09/188378909.db2.gz GXEZYYJHLBLWGM-CKEIUWERSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158497970 188378910 /nfs/dbraw/zinc/37/89/10/188378910.db2.gz GXEZYYJHLBLWGM-CKEIUWERSA-N 2 1 276.399 3.303 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+]CCn3cc[nH+]c3C)oc21 ZINC000271886321 191390054 /nfs/dbraw/zinc/39/00/54/191390054.db2.gz QRYFUGSGNBPQKP-LBPRGKRZSA-N 2 1 299.374 3.297 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271897480 191396679 /nfs/dbraw/zinc/39/66/79/191396679.db2.gz UOGRDYIJCHTQGG-CQSZACIVSA-N 2 1 258.409 3.162 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271840933 191361777 /nfs/dbraw/zinc/36/17/77/191361777.db2.gz GRKLWLYZOYKVSA-HNNXBMFYSA-N 2 1 288.435 3.388 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000414177576 235354483 /nfs/dbraw/zinc/35/44/83/235354483.db2.gz JVGIUNCLUYANDF-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414170423 235352987 /nfs/dbraw/zinc/35/29/87/235352987.db2.gz BZEYJEOWXUNNDO-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)C[NH+](C)C ZINC000293827217 198787881 /nfs/dbraw/zinc/78/78/81/198787881.db2.gz WJAKRMCVAINXAD-OLZOCXBDSA-N 2 1 260.381 3.281 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000093491374 138345894 /nfs/dbraw/zinc/34/58/94/138345894.db2.gz SZCATPNXYOXTFN-BHYGNILZSA-N 2 1 294.389 3.365 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)ccc1F ZINC000093516509 138347224 /nfs/dbraw/zinc/34/72/24/138347224.db2.gz GWGPKSQEKIRJDV-IUODEOHRSA-N 2 1 282.378 3.365 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(F)cc1F ZINC000093516276 138347633 /nfs/dbraw/zinc/34/76/33/138347633.db2.gz PFLKCGVRHCYARW-DOMZBBRYSA-N 2 1 282.378 3.365 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCCOc2ccccc2)CC[N@@H+]1C ZINC000123956219 138371545 /nfs/dbraw/zinc/37/15/45/138371545.db2.gz JYGYOINCUADPCO-IAGOWNOFSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCCOc2ccccc2)CC[N@H+]1C ZINC000123956219 138371546 /nfs/dbraw/zinc/37/15/46/138371546.db2.gz JYGYOINCUADPCO-IAGOWNOFSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCCOc2ccccc2)CC[NH+]1C ZINC000123956219 138371547 /nfs/dbraw/zinc/37/15/47/138371547.db2.gz JYGYOINCUADPCO-IAGOWNOFSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCOc2ccccc2)CC[NH+]1C ZINC000123956219 138371548 /nfs/dbraw/zinc/37/15/48/138371548.db2.gz JYGYOINCUADPCO-IAGOWNOFSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@@H]([NH2+][C@H](COc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422952133 235949122 /nfs/dbraw/zinc/94/91/22/235949122.db2.gz BVRBXLIFRIOATD-DNVCBOLYSA-N 2 1 296.414 3.004 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000482261518 535358767 /nfs/dbraw/zinc/35/87/67/535358767.db2.gz XJNBHBOATRGJLW-QGZVFWFLSA-N 2 1 296.499 3.195 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Cl)cc1Cl ZINC000423228560 236003434 /nfs/dbraw/zinc/00/34/34/236003434.db2.gz DBCWPKSNYOLWIZ-DTWKUNHWSA-N 2 1 261.196 3.381 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C[NH3+])C1CC1)CCS2 ZINC000423267587 236014126 /nfs/dbraw/zinc/01/41/26/236014126.db2.gz CTQHFFXHHNGGDL-LSDHHAIUSA-N 2 1 276.449 3.167 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OCC(F)(F)F)cc1 ZINC000423289944 236025728 /nfs/dbraw/zinc/02/57/28/236025728.db2.gz YOVLPVZWSMYBIH-JTQLQIEISA-N 2 1 290.329 3.016 20 0 CGADMP Fc1cccc2c1SCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423369079 236053104 /nfs/dbraw/zinc/05/31/04/236053104.db2.gz SFPKELUQCQIVPA-BXUZGUMPSA-N 2 1 280.412 3.094 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C2CCC2)o1 ZINC000423370936 236053400 /nfs/dbraw/zinc/05/34/00/236053400.db2.gz FBALDNMAHVKCJV-HZUKXOBISA-N 2 1 262.397 3.159 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000423399763 236064469 /nfs/dbraw/zinc/06/44/69/236064469.db2.gz UYXNKAXVWHMAQR-NUJGCVRESA-N 2 1 281.403 3.031 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCCO2 ZINC000423528678 236093064 /nfs/dbraw/zinc/09/30/64/236093064.db2.gz OUAIXCURHHZFRR-QGZVFWFLSA-N 2 1 288.435 3.249 20 0 CGADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535842 236094535 /nfs/dbraw/zinc/09/45/35/236094535.db2.gz FOXZBYMDSSWWGU-MRXNPFEDSA-N 2 1 294.389 3.152 20 0 CGADMP CCOc1ccccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424375819 236158653 /nfs/dbraw/zinc/15/86/53/236158653.db2.gz KDKWBWZYQXDQDS-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000424332457 236151026 /nfs/dbraw/zinc/15/10/26/236151026.db2.gz WKMVWRQYADUFPE-RDGPPVDQSA-N 2 1 296.458 3.429 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccccc2)CC1 ZINC000341645102 216048988 /nfs/dbraw/zinc/04/89/88/216048988.db2.gz ZWBPLKQRKTWKLO-UHFFFAOYSA-N 2 1 269.392 3.251 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOCC2CC2)cc1 ZINC000178009766 189085258 /nfs/dbraw/zinc/08/52/58/189085258.db2.gz OMUVZZCGNHUCRZ-AWEZNQCLSA-N 2 1 299.418 3.258 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC000178703286 189138624 /nfs/dbraw/zinc/13/86/24/189138624.db2.gz IIBQIYZUHFPBFK-UKRRQHHQSA-N 2 1 271.408 3.487 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1c1cccc(F)c1 ZINC000178975894 189158876 /nfs/dbraw/zinc/15/88/76/189158876.db2.gz PZYQGYUAWMCZEQ-DYVFJYSZSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)CC(C)(C)C ZINC000441310410 238392872 /nfs/dbraw/zinc/39/28/72/238392872.db2.gz KMXVTKLUBXEVLT-UHFFFAOYSA-N 2 1 251.418 3.386 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000181906800 189309632 /nfs/dbraw/zinc/30/96/32/189309632.db2.gz CWLGCGOMYVQSAO-CQSZACIVSA-N 2 1 291.439 3.028 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000181600297 189302072 /nfs/dbraw/zinc/30/20/72/189302072.db2.gz JZQILGTYFWPVOK-GOEBONIOSA-N 2 1 290.451 3.045 20 0 CGADMP CC(C)C[C@H](CNc1cc[nH+]cc1Cl)[NH+](C)C ZINC000301572847 201075706 /nfs/dbraw/zinc/07/57/06/201075706.db2.gz LJTBJXAOYWPYOD-LLVKDONJSA-N 2 1 255.793 3.123 20 0 CGADMP COc1ccccc1CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000182533264 189327117 /nfs/dbraw/zinc/32/71/17/189327117.db2.gz KIOIGNBYZAYNFT-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000182533264 189327118 /nfs/dbraw/zinc/32/71/18/189327118.db2.gz KIOIGNBYZAYNFT-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182533264 189327119 /nfs/dbraw/zinc/32/71/19/189327119.db2.gz KIOIGNBYZAYNFT-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182533264 189327120 /nfs/dbraw/zinc/32/71/20/189327120.db2.gz KIOIGNBYZAYNFT-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000301666280 201124694 /nfs/dbraw/zinc/12/46/94/201124694.db2.gz WTJRNGPCEDYBBL-NVXWUHKLSA-N 2 1 296.418 3.108 20 0 CGADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000301666280 201124697 /nfs/dbraw/zinc/12/46/97/201124697.db2.gz WTJRNGPCEDYBBL-NVXWUHKLSA-N 2 1 296.418 3.108 20 0 CGADMP Cc1nc(NCCC[N@@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000301701626 201148123 /nfs/dbraw/zinc/14/81/23/201148123.db2.gz SXNXRTZFXNYKJX-UHFFFAOYSA-N 2 1 298.434 3.336 20 0 CGADMP Cc1nc(NCCC[N@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000301701626 201148125 /nfs/dbraw/zinc/14/81/25/201148125.db2.gz SXNXRTZFXNYKJX-UHFFFAOYSA-N 2 1 298.434 3.336 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000119679497 370698086 /nfs/dbraw/zinc/69/80/86/370698086.db2.gz XJPPRKXRFBDBTD-AWEZNQCLSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1F ZINC000449373404 239359580 /nfs/dbraw/zinc/35/95/80/239359580.db2.gz RDIIBDVQKCSGRJ-FVQBIDKESA-N 2 1 276.399 3.412 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2s1 ZINC000336350155 213198790 /nfs/dbraw/zinc/19/87/90/213198790.db2.gz IUJOYVYYLOPMSX-RISCZKNCSA-N 2 1 289.448 3.177 20 0 CGADMP CC[N@H+]1CC[C@@H](NCc2ccccc2OC(F)F)[C@H](C)C1 ZINC000119771286 370707084 /nfs/dbraw/zinc/70/70/84/370707084.db2.gz WZSKDGWMBUQAFN-TZMCWYRMSA-N 2 1 298.377 3.108 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000119771286 370707089 /nfs/dbraw/zinc/70/70/89/370707089.db2.gz WZSKDGWMBUQAFN-TZMCWYRMSA-N 2 1 298.377 3.108 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000119771286 370707095 /nfs/dbraw/zinc/70/70/95/370707095.db2.gz WZSKDGWMBUQAFN-TZMCWYRMSA-N 2 1 298.377 3.108 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCc1ccc(Cl)cc1)CC2 ZINC000450648671 240017533 /nfs/dbraw/zinc/01/75/33/240017533.db2.gz WPMCIFVFSWCBHW-UHFFFAOYSA-N 2 1 292.854 3.443 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCc1ccc(Cl)cc1)CC2 ZINC000450648671 240017538 /nfs/dbraw/zinc/01/75/38/240017538.db2.gz WPMCIFVFSWCBHW-UHFFFAOYSA-N 2 1 292.854 3.443 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CC(F)(F)C1 ZINC000450858301 240123658 /nfs/dbraw/zinc/12/36/58/240123658.db2.gz SKEZAHQYTPLDAJ-UHFFFAOYSA-N 2 1 285.382 3.203 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CC(F)(F)C1 ZINC000450858301 240123667 /nfs/dbraw/zinc/12/36/67/240123667.db2.gz SKEZAHQYTPLDAJ-UHFFFAOYSA-N 2 1 285.382 3.203 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000275472850 193051605 /nfs/dbraw/zinc/05/16/05/193051605.db2.gz HWIRGUZHUOJXQS-OLZOCXBDSA-N 2 1 289.810 3.450 20 0 CGADMP c1ccc2cc(C[NH+]3CCC4(CC[NH2+]4)CC3)ccc2c1 ZINC000335561683 212269141 /nfs/dbraw/zinc/26/91/41/212269141.db2.gz OWAPDXWHXBAZBH-UHFFFAOYSA-N 2 1 266.388 3.168 20 0 CGADMP COCCC1(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000459724361 242192887 /nfs/dbraw/zinc/19/28/87/242192887.db2.gz APXVMHYXEGYEIP-QGZVFWFLSA-N 2 1 296.499 3.295 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459731560 242195585 /nfs/dbraw/zinc/19/55/85/242195585.db2.gz FHEABKNJDQKBJD-GDBMZVCRSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1ccc2cc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)ccc2n1 ZINC000459733514 242195775 /nfs/dbraw/zinc/19/57/75/242195775.db2.gz GPCQWZITLCEIGB-INIZCTEOSA-N 2 1 297.446 3.365 20 0 CGADMP CCc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459729305 242197319 /nfs/dbraw/zinc/19/73/19/242197319.db2.gz IYWOZHORJZEBSD-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC=C(C)C)[C@H](C)C1 ZINC000479298577 243096801 /nfs/dbraw/zinc/09/68/01/243096801.db2.gz FRFQYWRULNJDRR-IAGOWNOFSA-N 2 1 282.472 3.069 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000479379706 243099889 /nfs/dbraw/zinc/09/98/89/243099889.db2.gz HNNYJNRZSFZWHA-RDJZCZTQSA-N 2 1 281.403 3.059 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000479452010 243105623 /nfs/dbraw/zinc/10/56/23/243105623.db2.gz HXLQEDILXIHIDP-RHSMWYFYSA-N 2 1 260.425 3.211 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)c[nH]c21 ZINC000482884290 243248627 /nfs/dbraw/zinc/24/86/27/243248627.db2.gz BMIJSDNQWBWHMJ-RDTXWAMCSA-N 2 1 299.462 3.203 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000483235260 243267622 /nfs/dbraw/zinc/26/76/22/243267622.db2.gz KZXKAKKDBHEQDK-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC000483242065 243267935 /nfs/dbraw/zinc/26/79/35/243267935.db2.gz JYDOGORAFYXRRP-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483242065 243267939 /nfs/dbraw/zinc/26/79/39/243267939.db2.gz JYDOGORAFYXRRP-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483242065 243267944 /nfs/dbraw/zinc/26/79/44/243267944.db2.gz JYDOGORAFYXRRP-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C(CCC1CCCC1)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484893505 243324294 /nfs/dbraw/zinc/32/42/94/243324294.db2.gz MNJUYYHOLYMDPI-KZNAEPCWSA-N 2 1 294.483 3.094 20 0 CGADMP [NH3+]C1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000032053431 368923455 /nfs/dbraw/zinc/92/34/55/368923455.db2.gz GNTGFOTUKUGEMC-UHFFFAOYSA-N 2 1 296.414 3.189 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000036994568 369047546 /nfs/dbraw/zinc/04/75/46/369047546.db2.gz XUBXTFAKNHFTKS-MRXNPFEDSA-N 2 1 260.425 3.458 20 0 CGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000035016367 368990005 /nfs/dbraw/zinc/99/00/05/368990005.db2.gz VXPBBKIJRDLEBK-INIZCTEOSA-N 2 1 264.388 3.207 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000037644558 369094956 /nfs/dbraw/zinc/09/49/56/369094956.db2.gz RYDSDRVXVXNYLW-RYUDHWBXSA-N 2 1 284.806 3.472 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000037644558 369094965 /nfs/dbraw/zinc/09/49/65/369094965.db2.gz RYDSDRVXVXNYLW-RYUDHWBXSA-N 2 1 284.806 3.472 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000037644263 369095780 /nfs/dbraw/zinc/09/57/80/369095780.db2.gz NXEGCARUFVFBSK-NWDGAFQWSA-N 2 1 284.806 3.472 20 0 CGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649224 369097543 /nfs/dbraw/zinc/09/75/43/369097543.db2.gz HFIOMNXHUKDJQJ-CJNGLKHVSA-N 2 1 288.460 3.297 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000038098093 369145392 /nfs/dbraw/zinc/14/53/92/369145392.db2.gz FEFHXLDYPIVPPQ-UHFFFAOYSA-N 2 1 276.399 3.146 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000041203296 369179772 /nfs/dbraw/zinc/17/97/72/369179772.db2.gz FVNIAPDOIUYRBN-NSHDSACASA-N 2 1 252.427 3.055 20 0 CGADMP CC(C)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000053657611 369488589 /nfs/dbraw/zinc/48/85/89/369488589.db2.gz HTMKAJHYDLUOTG-CQSZACIVSA-N 2 1 266.454 3.206 20 0 CGADMP CC(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000053657611 369488595 /nfs/dbraw/zinc/48/85/95/369488595.db2.gz HTMKAJHYDLUOTG-CQSZACIVSA-N 2 1 266.454 3.206 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000059639326 369582244 /nfs/dbraw/zinc/58/22/44/369582244.db2.gz BREDYTBSVHKDEX-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(F)c1 ZINC000062078670 369619476 /nfs/dbraw/zinc/61/94/76/369619476.db2.gz DWUISVSCHOPJKG-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000069754041 369769469 /nfs/dbraw/zinc/76/94/69/369769469.db2.gz XSDPROABLZKLTI-UHFFFAOYSA-N 2 1 271.408 3.297 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169594 369786620 /nfs/dbraw/zinc/78/66/20/369786620.db2.gz JXYJWVRPGMRXJU-NWDGAFQWSA-N 2 1 268.351 3.087 20 0 CGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173845 369786992 /nfs/dbraw/zinc/78/69/92/369786992.db2.gz QGCBBELWFPJINO-SJORKVTESA-N 2 1 290.451 3.132 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000076446054 369938344 /nfs/dbraw/zinc/93/83/44/369938344.db2.gz NQGHMDMUKOOBAV-KRWDZBQOSA-N 2 1 272.436 3.431 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[NH+]1CCCC1 ZINC000094422858 370168120 /nfs/dbraw/zinc/16/81/20/370168120.db2.gz MBGINQKWESJCIW-CABCVRRESA-N 2 1 282.472 3.043 20 0 CGADMP CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000093638559 370150050 /nfs/dbraw/zinc/15/00/50/370150050.db2.gz QNNNXXGTCAKPKK-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000093638559 370150054 /nfs/dbraw/zinc/15/00/54/370150054.db2.gz QNNNXXGTCAKPKK-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000093638559 370150058 /nfs/dbraw/zinc/15/00/58/370150058.db2.gz QNNNXXGTCAKPKK-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000093643772 370150569 /nfs/dbraw/zinc/15/05/69/370150569.db2.gz QZZYBYPRISVFCX-SWLSCSKDSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3cc(F)ccc3o2)CC[N@H+]1C ZINC000093643772 370150572 /nfs/dbraw/zinc/15/05/72/370150572.db2.gz QZZYBYPRISVFCX-SWLSCSKDSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3cc(F)ccc3o2)CC[NH+]1C ZINC000093643772 370150575 /nfs/dbraw/zinc/15/05/75/370150575.db2.gz QZZYBYPRISVFCX-SWLSCSKDSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3cc(F)ccc3o2)CC[NH+]1C ZINC000093643772 370150580 /nfs/dbraw/zinc/15/05/80/370150580.db2.gz QZZYBYPRISVFCX-SWLSCSKDSA-N 2 1 290.382 3.486 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])ccc2n1 ZINC000097862619 370255830 /nfs/dbraw/zinc/25/58/30/370255830.db2.gz IEXFPVWMDZTJFU-RDTXWAMCSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])ccc2n1 ZINC000097862619 370255837 /nfs/dbraw/zinc/25/58/37/370255837.db2.gz IEXFPVWMDZTJFU-RDTXWAMCSA-N 2 1 283.419 3.245 20 0 CGADMP Clc1ccc2[nH+]ccc(NCC[NH+]3CCCCC3)c2c1 ZINC000513649687 245085663 /nfs/dbraw/zinc/08/56/63/245085663.db2.gz FJLTYUAWFYDLKZ-UHFFFAOYSA-N 2 1 289.810 3.208 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000116385674 370559938 /nfs/dbraw/zinc/55/99/38/370559938.db2.gz PJALFUADHKIYDY-SJORKVTESA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)s1 ZINC000133290755 371241372 /nfs/dbraw/zinc/24/13/72/371241372.db2.gz QKJFRSIWJSKPQD-NSHDSACASA-N 2 1 260.834 3.207 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000133290755 371241377 /nfs/dbraw/zinc/24/13/77/371241377.db2.gz QKJFRSIWJSKPQD-NSHDSACASA-N 2 1 260.834 3.207 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000537851128 376205259 /nfs/dbraw/zinc/20/52/59/376205259.db2.gz IKPGJEHVQWKSLA-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000537851129 376205420 /nfs/dbraw/zinc/20/54/20/376205420.db2.gz IKPGJEHVQWKSLA-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000134136984 371305969 /nfs/dbraw/zinc/30/59/69/371305969.db2.gz VIYPOVHUTYFECD-MAUKXSAKSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000136255684 371471581 /nfs/dbraw/zinc/47/15/81/371471581.db2.gz OWBRHHIBDBONPE-KGLIPLIRSA-N 2 1 276.399 3.003 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750846 371535970 /nfs/dbraw/zinc/53/59/70/371535970.db2.gz IDEXSBBIKMEHRC-APWZRJJASA-N 2 1 284.447 3.482 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150839283 371542237 /nfs/dbraw/zinc/54/22/37/371542237.db2.gz PHKHOYYMOWRPIN-MRXNPFEDSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150839283 371542238 /nfs/dbraw/zinc/54/22/38/371542238.db2.gz PHKHOYYMOWRPIN-MRXNPFEDSA-N 2 1 288.435 3.003 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559378 371613902 /nfs/dbraw/zinc/61/39/02/371613902.db2.gz ASSAGBNZAPFWEE-GZBFAFLISA-N 2 1 296.842 3.180 20 0 CGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000287214372 371622419 /nfs/dbraw/zinc/62/24/19/371622419.db2.gz XDKDNXLHURAEGP-RYRKJORJSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000287214372 371622422 /nfs/dbraw/zinc/62/24/22/371622422.db2.gz XDKDNXLHURAEGP-RYRKJORJSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(F)cc1F ZINC000151859818 371644533 /nfs/dbraw/zinc/64/45/33/371644533.db2.gz RSNCCNOLIXCDHA-KOFHJDLBSA-N 2 1 296.405 3.387 20 0 CGADMP CCCCOc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422559112 371749236 /nfs/dbraw/zinc/74/92/36/371749236.db2.gz CAOMXZGIOYPMRG-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc2cccnc12 ZINC000422558548 371749611 /nfs/dbraw/zinc/74/96/11/371749611.db2.gz BDETVWCTTAKELZ-YEWWUXTCSA-N 2 1 297.446 3.348 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422734429 371775645 /nfs/dbraw/zinc/77/56/45/371775645.db2.gz SZPSUOLWPMSFQE-IUCAKERBSA-N 2 1 261.196 3.209 20 0 CGADMP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422822604 371829652 /nfs/dbraw/zinc/82/96/52/371829652.db2.gz KFQXYNYNCUUUSX-KGLIPLIRSA-N 2 1 297.240 3.035 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422824147 371831323 /nfs/dbraw/zinc/83/13/23/371831323.db2.gz NDRZSZWPCMWTAG-WFASDCNBSA-N 2 1 280.843 3.348 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422766071 371794801 /nfs/dbraw/zinc/79/48/01/371794801.db2.gz RKUNWXVTRXIJNR-ZIAGYGMSSA-N 2 1 297.240 3.199 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000422774025 371796218 /nfs/dbraw/zinc/79/62/18/371796218.db2.gz ZTOIZONFAPHGJX-HSMVNMDESA-N 2 1 282.378 3.394 20 0 CGADMP C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1c[nH+]ccc1N ZINC000422786038 371805271 /nfs/dbraw/zinc/80/52/71/371805271.db2.gz OANRGXNGMAIPRG-HUUCEWRRSA-N 2 1 299.418 3.313 20 0 CGADMP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)c1 ZINC000422784971 371806030 /nfs/dbraw/zinc/80/60/30/371806030.db2.gz JDDVSNJFMBVSTK-RTBURBONSA-N 2 1 296.414 3.332 20 0 CGADMP FC(F)(F)CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000154120222 371819301 /nfs/dbraw/zinc/81/93/01/371819301.db2.gz BSKVYDARQFHQCW-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000154120222 371819306 /nfs/dbraw/zinc/81/93/06/371819306.db2.gz BSKVYDARQFHQCW-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422806209 371820664 /nfs/dbraw/zinc/82/06/64/371820664.db2.gz MZFOJDMCQHJWAK-YJBOKZPZSA-N 2 1 268.404 3.043 20 0 CGADMP CC[C@@H]([NH2+]CCc1ccc(OC)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422888154 371854751 /nfs/dbraw/zinc/85/47/51/371854751.db2.gz MHCLFZXCYLSIAZ-CVEARBPZSA-N 2 1 296.842 3.011 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954208 371861785 /nfs/dbraw/zinc/86/17/85/371861785.db2.gz ICDUKEHSFBMILO-RDJZCZTQSA-N 2 1 290.451 3.171 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954208 371861792 /nfs/dbraw/zinc/86/17/92/371861792.db2.gz ICDUKEHSFBMILO-RDJZCZTQSA-N 2 1 290.451 3.171 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954208 371861797 /nfs/dbraw/zinc/86/17/97/371861797.db2.gz ICDUKEHSFBMILO-RDJZCZTQSA-N 2 1 290.451 3.171 20 0 CGADMP C[C@@H]([NH2+]C(c1cccs1)c1cccs1)C1C[NH2+]C1 ZINC000422917548 371867182 /nfs/dbraw/zinc/86/71/82/371867182.db2.gz GGCOHKYBMPXKMQ-SNVBAGLBSA-N 2 1 278.446 3.097 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC000154678687 371867635 /nfs/dbraw/zinc/86/76/35/371867635.db2.gz OGYCBMRKWXTRLD-CYBMUJFWSA-N 2 1 280.378 3.383 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000154678687 371867643 /nfs/dbraw/zinc/86/76/43/371867643.db2.gz OGYCBMRKWXTRLD-CYBMUJFWSA-N 2 1 280.378 3.383 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)c1c[nH+]ccc1N ZINC000422920465 371870000 /nfs/dbraw/zinc/87/00/00/371870000.db2.gz MDAOZPSTCAUUGJ-NORZTCDRSA-N 2 1 259.397 3.114 20 0 CGADMP Clc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422946500 371884308 /nfs/dbraw/zinc/88/43/08/371884308.db2.gz OYBOPMCTOHUHSU-BTQFLJHSSA-N 2 1 292.810 3.036 20 0 CGADMP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000423048153 371934362 /nfs/dbraw/zinc/93/43/62/371934362.db2.gz IFEIYSRJDYRFIH-BBWFWOEESA-N 2 1 294.483 3.094 20 0 CGADMP C1=C(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000423053035 371936166 /nfs/dbraw/zinc/93/61/66/371936166.db2.gz RVGLFCMRJVTZFE-KZNAEPCWSA-N 2 1 292.467 3.014 20 0 CGADMP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422968496 371894166 /nfs/dbraw/zinc/89/41/66/371894166.db2.gz RGYJAQSRNQAYGC-MFNRNEDNSA-N 2 1 258.409 3.053 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423006515 371912134 /nfs/dbraw/zinc/91/21/34/371912134.db2.gz VOPIFJUUXCIFCB-YOEHRIQHSA-N 2 1 290.451 3.093 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000290318930 371961965 /nfs/dbraw/zinc/96/19/65/371961965.db2.gz CVOYRFCANVHLQT-PBHICJAKSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000290318930 371961968 /nfs/dbraw/zinc/96/19/68/371961968.db2.gz CVOYRFCANVHLQT-PBHICJAKSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000290318930 371961970 /nfs/dbraw/zinc/96/19/70/371961970.db2.gz CVOYRFCANVHLQT-PBHICJAKSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000290318930 371961972 /nfs/dbraw/zinc/96/19/72/371961972.db2.gz CVOYRFCANVHLQT-PBHICJAKSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000290373812 371974650 /nfs/dbraw/zinc/97/46/50/371974650.db2.gz HQAQVDBAWKSKSM-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000290373812 371974657 /nfs/dbraw/zinc/97/46/57/371974657.db2.gz HQAQVDBAWKSKSM-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC000290373812 371974667 /nfs/dbraw/zinc/97/46/67/371974667.db2.gz HQAQVDBAWKSKSM-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC000290373812 371974673 /nfs/dbraw/zinc/97/46/73/371974673.db2.gz HQAQVDBAWKSKSM-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP CSCc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423115499 371975067 /nfs/dbraw/zinc/97/50/67/371975067.db2.gz YBEPJDCHXCBBHE-GFCCVEGCSA-N 2 1 287.432 3.208 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCc2ccccc21)c1c[nH+]ccc1N ZINC000423143636 371988787 /nfs/dbraw/zinc/98/87/87/371988787.db2.gz DNKRXHOVERTYCJ-DZGCQCFKSA-N 2 1 281.403 3.265 20 0 CGADMP [NH3+]CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000423189233 372016817 /nfs/dbraw/zinc/01/68/17/372016817.db2.gz QQSJHSRNWGACFG-CABCVRRESA-N 2 1 266.816 3.305 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc21 ZINC000423189919 372017113 /nfs/dbraw/zinc/01/71/13/372017113.db2.gz QGNDKCIMGJRIIQ-KXBFYZLASA-N 2 1 295.430 3.399 20 0 CGADMP C[C@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)[C@H]1CCC[NH2+]1 ZINC000423195293 372019490 /nfs/dbraw/zinc/01/94/90/372019490.db2.gz XOZMSURAVYLTAM-SWLSCSKDSA-N 2 1 294.389 3.117 20 0 CGADMP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423196636 372020865 /nfs/dbraw/zinc/02/08/65/372020865.db2.gz VTLPGCUMGGBMGV-ZBFHGGJFSA-N 2 1 278.827 3.003 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423217445 372036054 /nfs/dbraw/zinc/03/60/54/372036054.db2.gz UFPQJXVECHETTN-BLLLJJGKSA-N 2 1 282.378 3.251 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218647 372038504 /nfs/dbraw/zinc/03/85/04/372038504.db2.gz SECASRVFGVEDET-FRRDWIJNSA-N 2 1 296.842 3.387 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)c2ccccc21 ZINC000423275325 372045894 /nfs/dbraw/zinc/04/58/94/372045894.db2.gz LQJFRGSZZSUJEM-YESZJQIVSA-N 2 1 258.409 3.198 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)C1CC1 ZINC000423311586 372050225 /nfs/dbraw/zinc/05/02/25/372050225.db2.gz CBIMUFKJRNJYHN-JKSUJKDBSA-N 2 1 278.827 3.434 20 0 CGADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423378750 372058001 /nfs/dbraw/zinc/05/80/01/372058001.db2.gz ZSQZOXFXZGZAOT-QYZOEREBSA-N 2 1 293.414 3.381 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423183981 372010634 /nfs/dbraw/zinc/01/06/34/372010634.db2.gz HDLMIDYFGBBUFQ-INIZCTEOSA-N 2 1 297.446 3.475 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000424378495 372085696 /nfs/dbraw/zinc/08/56/96/372085696.db2.gz SUIKVWIKWWMXET-MGPQQGTHSA-N 2 1 262.422 3.083 20 0 CGADMP CN(CC[C@H]1CCC[N@H+]1C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426723713 372168896 /nfs/dbraw/zinc/16/88/96/372168896.db2.gz NEGFWMQZQMLEPW-QGZVFWFLSA-N 2 1 295.515 3.057 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292907246 372244207 /nfs/dbraw/zinc/24/42/07/372244207.db2.gz HARRHTGGSHNSDD-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292907246 372244210 /nfs/dbraw/zinc/24/42/10/372244210.db2.gz HARRHTGGSHNSDD-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292907246 372244217 /nfs/dbraw/zinc/24/42/17/372244217.db2.gz HARRHTGGSHNSDD-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292907246 372244221 /nfs/dbraw/zinc/24/42/21/372244221.db2.gz HARRHTGGSHNSDD-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP Cc1cccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)c1C ZINC000428716137 372254988 /nfs/dbraw/zinc/25/49/88/372254988.db2.gz HTNKGMXPZKWASU-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1cccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)c1C ZINC000428716137 372254994 /nfs/dbraw/zinc/25/49/94/372254994.db2.gz HTNKGMXPZKWASU-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1cccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)c1C ZINC000428716137 372254999 /nfs/dbraw/zinc/25/49/99/372254999.db2.gz HTNKGMXPZKWASU-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000293040338 372285666 /nfs/dbraw/zinc/28/56/66/372285666.db2.gz SGTUIRAIKGGTAZ-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293040338 372285676 /nfs/dbraw/zinc/28/56/76/372285676.db2.gz SGTUIRAIKGGTAZ-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293040338 372285682 /nfs/dbraw/zinc/28/56/82/372285682.db2.gz SGTUIRAIKGGTAZ-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293040338 372285688 /nfs/dbraw/zinc/28/56/88/372285688.db2.gz SGTUIRAIKGGTAZ-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293040338 372285695 /nfs/dbraw/zinc/28/56/95/372285695.db2.gz SGTUIRAIKGGTAZ-RDJZCZTQSA-N 2 1 258.409 3.165 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000429048741 372309661 /nfs/dbraw/zinc/30/96/61/372309661.db2.gz NTZUJUIFZUGFKJ-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000429048741 372309664 /nfs/dbraw/zinc/30/96/64/372309664.db2.gz NTZUJUIFZUGFKJ-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000429048741 372309670 /nfs/dbraw/zinc/30/96/70/372309670.db2.gz NTZUJUIFZUGFKJ-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccccc1OC(F)F)C[NH+](C)C ZINC000293279311 372344205 /nfs/dbraw/zinc/34/42/05/372344205.db2.gz CRGBMHIFPIOGKC-NEPJUHHUSA-N 2 1 286.366 3.136 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000429525047 372374107 /nfs/dbraw/zinc/37/41/07/372374107.db2.gz ZMJKROLQDSYZIX-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000430956746 372409929 /nfs/dbraw/zinc/40/99/29/372409929.db2.gz PZFHRLDKPZKAQG-YOEHRIQHSA-N 2 1 290.451 3.032 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@H+](C)CC[C@@H]1CCC[NH+]1C)CCC2 ZINC000162986872 372439301 /nfs/dbraw/zinc/43/93/01/372439301.db2.gz NCZGVIJKZWRXSQ-DZGCQCFKSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CC[C@@H]1CCC[NH+]1C)CCC2 ZINC000162986872 372439306 /nfs/dbraw/zinc/43/93/06/372439306.db2.gz NCZGVIJKZWRXSQ-DZGCQCFKSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH+](C)CC[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000162986872 372439309 /nfs/dbraw/zinc/43/93/09/372439309.db2.gz NCZGVIJKZWRXSQ-DZGCQCFKSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH+](C)CC[C@@H]1CCC[N@H+]1C)CCC2 ZINC000162986872 372439314 /nfs/dbraw/zinc/43/93/14/372439314.db2.gz NCZGVIJKZWRXSQ-DZGCQCFKSA-N 2 1 293.480 3.245 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000293791829 372483628 /nfs/dbraw/zinc/48/36/28/372483628.db2.gz UJLLNIGZVABWLK-PSOLEGPJSA-N 2 1 272.436 3.108 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000163194842 372453771 /nfs/dbraw/zinc/45/37/71/372453771.db2.gz ZPYWBCFGIIIWJR-UKRRQHHQSA-N 2 1 260.425 3.153 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000163234061 372456363 /nfs/dbraw/zinc/45/63/63/372456363.db2.gz JTVWMZZQXRSGSX-NEPJUHHUSA-N 2 1 260.406 3.070 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000164627254 372526049 /nfs/dbraw/zinc/52/60/49/372526049.db2.gz PJCIFORNSURJFU-KSSFIOAISA-N 2 1 283.419 3.495 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000164714214 372529933 /nfs/dbraw/zinc/52/99/33/372529933.db2.gz NQBCOEATGZIEMV-ZDUSSCGKSA-N 2 1 275.396 3.478 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000164786116 372531766 /nfs/dbraw/zinc/53/17/66/372531766.db2.gz BQUPOQMSWXHOIJ-BBRMVZONSA-N 2 1 278.415 3.033 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000165631139 372554027 /nfs/dbraw/zinc/55/40/27/372554027.db2.gz OBWRCUOKXBRFJM-HZPDHXFCSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377307 372572809 /nfs/dbraw/zinc/57/28/09/372572809.db2.gz QQDWQEPOKLSAGF-HLLBOEOZSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377307 372572814 /nfs/dbraw/zinc/57/28/14/372572814.db2.gz QQDWQEPOKLSAGF-HLLBOEOZSA-N 2 1 298.434 3.006 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c21 ZINC000166483514 372574867 /nfs/dbraw/zinc/57/48/67/372574867.db2.gz MPBFXTPFERWBAP-IAGOWNOFSA-N 2 1 297.446 3.235 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000166640489 372578351 /nfs/dbraw/zinc/57/83/51/372578351.db2.gz HAGCZVDFBPOYSR-KCXAZCMYSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000166640489 372578364 /nfs/dbraw/zinc/57/83/64/372578364.db2.gz HAGCZVDFBPOYSR-KCXAZCMYSA-N 2 1 264.388 3.349 20 0 CGADMP CC(C)COc1cccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000434176579 372660823 /nfs/dbraw/zinc/66/08/23/372660823.db2.gz FZJIJEWLBMYDFE-KRWDZBQOSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000434176579 372660825 /nfs/dbraw/zinc/66/08/25/372660825.db2.gz FZJIJEWLBMYDFE-KRWDZBQOSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1cccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000434176579 372660831 /nfs/dbraw/zinc/66/08/31/372660831.db2.gz FZJIJEWLBMYDFE-KRWDZBQOSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000434176579 372660835 /nfs/dbraw/zinc/66/08/35/372660835.db2.gz FZJIJEWLBMYDFE-KRWDZBQOSA-N 2 1 290.451 3.105 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000294668645 372666588 /nfs/dbraw/zinc/66/65/88/372666588.db2.gz AQMNHKFOXPXJKC-CXAGYDPISA-N 2 1 299.418 3.399 20 0 CGADMP CCSCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434681555 372702739 /nfs/dbraw/zinc/70/27/39/372702739.db2.gz PZEUFJDIAWXGNL-UHFFFAOYSA-N 2 1 293.480 3.152 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435372234 372754130 /nfs/dbraw/zinc/75/41/30/372754130.db2.gz QPNGDQZQJFDYDQ-HNNXBMFYSA-N 2 1 284.403 3.378 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435372234 372754137 /nfs/dbraw/zinc/75/41/37/372754137.db2.gz QPNGDQZQJFDYDQ-HNNXBMFYSA-N 2 1 284.403 3.378 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000435880304 372823616 /nfs/dbraw/zinc/82/36/16/372823616.db2.gz OEBXQKHMYSMUNV-ZDUSSCGKSA-N 2 1 281.469 3.055 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000435880304 372823623 /nfs/dbraw/zinc/82/36/23/372823623.db2.gz OEBXQKHMYSMUNV-ZDUSSCGKSA-N 2 1 281.469 3.055 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1cccc2ccccc21 ZINC000442766999 373075771 /nfs/dbraw/zinc/07/57/71/373075771.db2.gz PNJMNZWMBGKIFE-HZPDHXFCSA-N 2 1 298.430 3.278 20 0 CGADMP Cc1ccc(SCC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000442787075 373082593 /nfs/dbraw/zinc/08/25/93/373082593.db2.gz HELNFLPQGRYPEN-LSDHHAIUSA-N 2 1 278.465 3.065 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442790045 373082713 /nfs/dbraw/zinc/08/27/13/373082713.db2.gz ZWTGWOKZZPKFOS-UEKVPHQBSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442790045 373082720 /nfs/dbraw/zinc/08/27/20/373082720.db2.gz ZWTGWOKZZPKFOS-UEKVPHQBSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccc2ccccc2c1 ZINC000442759983 373072347 /nfs/dbraw/zinc/07/23/47/373072347.db2.gz MMTBBPCMXAAPBK-HOCLYGCPSA-N 2 1 268.404 3.051 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442919050 373128691 /nfs/dbraw/zinc/12/86/91/373128691.db2.gz ILSLDQAMBGPPEM-MRXNPFEDSA-N 2 1 290.451 3.426 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000442918085 373128703 /nfs/dbraw/zinc/12/87/03/373128703.db2.gz FSBJUXVFIVCQCI-OHVSUOQFSA-N 2 1 280.362 3.039 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296458367 373141149 /nfs/dbraw/zinc/14/11/49/373141149.db2.gz NCBAASGWWMRHKP-QCCXBYOVSA-N 2 1 270.420 3.450 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC000296477018 373149023 /nfs/dbraw/zinc/14/90/23/373149023.db2.gz PUZVBXLZUADZAI-RHSMWYFYSA-N 2 1 292.492 3.368 20 0 CGADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CC1(C)C ZINC000444646245 373219841 /nfs/dbraw/zinc/21/98/41/373219841.db2.gz RQBVCHDVOTZYJG-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP Fc1ccc(C2([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000444570253 373202192 /nfs/dbraw/zinc/20/21/92/373202192.db2.gz OGGPVQSDJJTZCF-UHFFFAOYSA-N 2 1 276.399 3.280 20 0 CGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1CC1 ZINC000174451495 373319583 /nfs/dbraw/zinc/31/95/83/373319583.db2.gz IUMHTSNNVKSGHM-UHFFFAOYSA-N 2 1 284.403 3.411 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Cl ZINC000447735696 373480651 /nfs/dbraw/zinc/48/06/51/373480651.db2.gz GNPALQZVYJSCCA-HNNXBMFYSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000447735696 373480658 /nfs/dbraw/zinc/48/06/58/373480658.db2.gz GNPALQZVYJSCCA-HNNXBMFYSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000447735696 373480663 /nfs/dbraw/zinc/48/06/63/373480663.db2.gz GNPALQZVYJSCCA-HNNXBMFYSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000299539104 373565809 /nfs/dbraw/zinc/56/58/09/373565809.db2.gz IQBABHNXLPMPSK-UHFFFAOYSA-N 2 1 260.425 3.300 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C(C)C)C2)C1 ZINC000300316112 373624236 /nfs/dbraw/zinc/62/42/36/373624236.db2.gz NMXKFXBMNFSYMV-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP Clc1c[nH+]ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176934335 373642935 /nfs/dbraw/zinc/64/29/35/373642935.db2.gz AYTIONKMUUFRAH-ZDUSSCGKSA-N 2 1 279.815 3.190 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177832766 373714780 /nfs/dbraw/zinc/71/47/80/373714780.db2.gz NLQPJOFQIXEASL-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177832766 373714794 /nfs/dbraw/zinc/71/47/94/373714794.db2.gz NLQPJOFQIXEASL-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177832766 373714803 /nfs/dbraw/zinc/71/48/03/373714803.db2.gz NLQPJOFQIXEASL-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177832766 373714816 /nfs/dbraw/zinc/71/48/16/373714816.db2.gz NLQPJOFQIXEASL-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177832766 373714823 /nfs/dbraw/zinc/71/48/23/373714823.db2.gz NLQPJOFQIXEASL-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2c(C)cccc2C)[C@H](C)C1 ZINC000177887705 373720949 /nfs/dbraw/zinc/72/09/49/373720949.db2.gz SCXJAPWCJANXDD-IAGOWNOFSA-N 2 1 290.451 3.002 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000178412893 373774841 /nfs/dbraw/zinc/77/48/41/373774841.db2.gz MRLLLHKOYYYNBI-LLVKDONJSA-N 2 1 286.341 3.240 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)s1 ZINC000178411859 373775006 /nfs/dbraw/zinc/77/50/06/373775006.db2.gz LFXLIGBPGGWMHI-GFCCVEGCSA-N 2 1 281.469 3.150 20 0 CGADMP c1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000178410886 373775084 /nfs/dbraw/zinc/77/50/84/373775084.db2.gz USYBSIMEUUMSCK-QGZVFWFLSA-N 2 1 288.435 3.366 20 0 CGADMP CCc1cc(NCc2cccc(C[N@@H+](C)CC)c2)nc(C)[nH+]1 ZINC000301380336 373766296 /nfs/dbraw/zinc/76/62/96/373766296.db2.gz ZUJLWOTZUOLPOW-UHFFFAOYSA-N 2 1 298.434 3.411 20 0 CGADMP CCc1cc(NCc2cccc(C[N@H+](C)CC)c2)nc(C)[nH+]1 ZINC000301380336 373766302 /nfs/dbraw/zinc/76/63/02/373766302.db2.gz ZUJLWOTZUOLPOW-UHFFFAOYSA-N 2 1 298.434 3.411 20 0 CGADMP Clc1cccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178957662 373821200 /nfs/dbraw/zinc/82/12/00/373821200.db2.gz SUTNLJZJRLTKGW-INIZCTEOSA-N 2 1 278.827 3.477 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000179632472 373896104 /nfs/dbraw/zinc/89/61/04/373896104.db2.gz RYXPYIQKXMLRJL-BWPKMQGJSA-N 2 1 278.827 3.237 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000179632472 373896110 /nfs/dbraw/zinc/89/61/10/373896110.db2.gz RYXPYIQKXMLRJL-BWPKMQGJSA-N 2 1 278.827 3.237 20 0 CGADMP Cc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000353667457 220240696 /nfs/dbraw/zinc/24/06/96/220240696.db2.gz TXNKCMKGOFFGQJ-INIZCTEOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000353667457 220240698 /nfs/dbraw/zinc/24/06/98/220240698.db2.gz TXNKCMKGOFFGQJ-INIZCTEOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000353667457 220240701 /nfs/dbraw/zinc/24/07/01/220240701.db2.gz TXNKCMKGOFFGQJ-INIZCTEOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000353667457 220240703 /nfs/dbraw/zinc/24/07/03/220240703.db2.gz TXNKCMKGOFFGQJ-INIZCTEOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000180280207 373986890 /nfs/dbraw/zinc/98/68/90/373986890.db2.gz ZYHBHUPAGYIHPP-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000180280207 373986896 /nfs/dbraw/zinc/98/68/96/373986896.db2.gz ZYHBHUPAGYIHPP-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180881106 374054491 /nfs/dbraw/zinc/05/44/91/374054491.db2.gz OKDXGDVSLKTFBZ-CYBMUJFWSA-N 2 1 282.378 3.274 20 0 CGADMP C[C@H]1C[C@@H](NCc2ccccc2OC2CCC2)CC[N@H+]1C ZINC000180973679 374064328 /nfs/dbraw/zinc/06/43/28/374064328.db2.gz RANDKUXELJBAEM-HOCLYGCPSA-N 2 1 288.435 3.190 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCC2)CCN1C ZINC000180973679 374064336 /nfs/dbraw/zinc/06/43/36/374064336.db2.gz RANDKUXELJBAEM-HOCLYGCPSA-N 2 1 288.435 3.190 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCC2=CCCCC2)CCN1C ZINC000450465730 374148041 /nfs/dbraw/zinc/14/80/41/374148041.db2.gz GLJXVDGLIDKEBU-GOEBONIOSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCC2=CCCCC2)CC[N@@H+]1C ZINC000450465730 374148043 /nfs/dbraw/zinc/14/80/43/374148043.db2.gz GLJXVDGLIDKEBU-GOEBONIOSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCC2=CCCCC2)CC[N@H+]1C ZINC000450465730 374148048 /nfs/dbraw/zinc/14/80/48/374148048.db2.gz GLJXVDGLIDKEBU-GOEBONIOSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC000450465730 374148052 /nfs/dbraw/zinc/14/80/52/374148052.db2.gz GLJXVDGLIDKEBU-GOEBONIOSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC000450465730 374148054 /nfs/dbraw/zinc/14/80/54/374148054.db2.gz GLJXVDGLIDKEBU-GOEBONIOSA-N 2 1 250.430 3.291 20 0 CGADMP CCC[NH+]1CCC(N(C)C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450464681 374148351 /nfs/dbraw/zinc/14/83/51/374148351.db2.gz AXJRNKMALJVJJO-GOSISDBHSA-N 2 1 295.515 3.056 20 0 CGADMP C[C@@H]([NH2+]Cc1ccn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309748481 374194143 /nfs/dbraw/zinc/19/41/43/374194143.db2.gz YQISBGBCXQMUHD-VQIMIIECSA-N 2 1 297.446 3.025 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C[NH+](C)C ZINC000310916530 374229675 /nfs/dbraw/zinc/22/96/75/374229675.db2.gz ZFXBLSOWQRVTLF-QWRGUYRKSA-N 2 1 272.795 3.327 20 0 CGADMP CSC1(C[NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CCC1 ZINC000311361866 374239621 /nfs/dbraw/zinc/23/96/21/374239621.db2.gz BELOCWAARMSYTG-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccon2)CC1 ZINC000182776112 374325126 /nfs/dbraw/zinc/32/51/26/374325126.db2.gz DPBQPCUMFTUSOQ-UHFFFAOYSA-N 2 1 279.428 3.009 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000183047331 374361447 /nfs/dbraw/zinc/36/14/47/374361447.db2.gz PNCOAPHDAWNNMC-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccncc1 ZINC000453087439 374364079 /nfs/dbraw/zinc/36/40/79/374364079.db2.gz PTDXBPBJEVBKLS-QGZVFWFLSA-N 2 1 273.424 3.139 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183704655 374444451 /nfs/dbraw/zinc/44/44/51/374444451.db2.gz QZGJYFXIPKTXNA-ROKHWSDSSA-N 2 1 292.389 3.287 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(CC)C(C)C)[C@H](C)C1 ZINC000453469130 374477186 /nfs/dbraw/zinc/47/71/86/374477186.db2.gz ZQPSKLWTPRILPU-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000183953706 374478191 /nfs/dbraw/zinc/47/81/91/374478191.db2.gz RVDYWZDYGAIKOT-OAHLLOKOSA-N 2 1 292.471 3.237 20 0 CGADMP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090228100 541958118 /nfs/dbraw/zinc/95/81/18/541958118.db2.gz NYUPDJRHPQVZHA-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000091660398 541968362 /nfs/dbraw/zinc/96/83/62/541968362.db2.gz VYJHEZLTYGZISE-KRWDZBQOSA-N 2 1 287.451 3.171 20 0 CGADMP Cc1nccn1CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000334430757 374744480 /nfs/dbraw/zinc/74/44/80/374744480.db2.gz JUZRTYWSGYPOJA-INIZCTEOSA-N 2 1 259.397 3.014 20 0 CGADMP C[N@H+]1CCCC12CCN(C[C@H]1CCCC(F)(F)C1)CC2 ZINC000334391251 374708325 /nfs/dbraw/zinc/70/83/25/374708325.db2.gz VBUMENSDVNOOFB-AWEZNQCLSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCC(F)(F)C1)CC2 ZINC000334391251 374708333 /nfs/dbraw/zinc/70/83/33/374708333.db2.gz VBUMENSDVNOOFB-AWEZNQCLSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCC(F)(F)C1)CC2 ZINC000334391251 374708339 /nfs/dbraw/zinc/70/83/39/374708339.db2.gz VBUMENSDVNOOFB-AWEZNQCLSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000459785660 374821388 /nfs/dbraw/zinc/82/13/88/374821388.db2.gz PAJWJFALOHHTPK-MGPQQGTHSA-N 2 1 292.389 3.429 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000334624596 374917770 /nfs/dbraw/zinc/91/77/70/374917770.db2.gz LBFAQOLPVCFNJU-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000334624596 374917772 /nfs/dbraw/zinc/91/77/72/374917772.db2.gz LBFAQOLPVCFNJU-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000334624596 374917779 /nfs/dbraw/zinc/91/77/79/374917779.db2.gz LBFAQOLPVCFNJU-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334671133 374959626 /nfs/dbraw/zinc/95/96/26/374959626.db2.gz NPTRCWSQRBPPRA-MRXNPFEDSA-N 2 1 282.497 3.080 20 0 CGADMP Cc1ccccc1OCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472852444 375037231 /nfs/dbraw/zinc/03/72/31/375037231.db2.gz RHVBOTMCJKIMGJ-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472852444 375037239 /nfs/dbraw/zinc/03/72/39/375037239.db2.gz RHVBOTMCJKIMGJ-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000472852444 375037246 /nfs/dbraw/zinc/03/72/46/375037246.db2.gz RHVBOTMCJKIMGJ-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000472852444 375037254 /nfs/dbraw/zinc/03/72/54/375037254.db2.gz RHVBOTMCJKIMGJ-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP CCSc1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)ccn1 ZINC000187799653 375096623 /nfs/dbraw/zinc/09/66/23/375096623.db2.gz FNGJRYAWKMIYTI-HIFRSBDPSA-N 2 1 293.480 3.014 20 0 CGADMP CCSc1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)ccn1 ZINC000187799653 375096630 /nfs/dbraw/zinc/09/66/30/375096630.db2.gz FNGJRYAWKMIYTI-HIFRSBDPSA-N 2 1 293.480 3.014 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000474404614 375106826 /nfs/dbraw/zinc/10/68/26/375106826.db2.gz XRHABJYJOXGCPJ-MAUKXSAKSA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000474404614 375106831 /nfs/dbraw/zinc/10/68/31/375106831.db2.gz XRHABJYJOXGCPJ-MAUKXSAKSA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000474404614 375106838 /nfs/dbraw/zinc/10/68/38/375106838.db2.gz XRHABJYJOXGCPJ-MAUKXSAKSA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000474404614 375106841 /nfs/dbraw/zinc/10/68/41/375106841.db2.gz XRHABJYJOXGCPJ-MAUKXSAKSA-N 2 1 290.426 3.304 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000482248415 375169719 /nfs/dbraw/zinc/16/97/19/375169719.db2.gz UFUYFRNCWWZREA-XJKSGUPXSA-N 2 1 292.854 3.301 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CCCC1 ZINC000474613655 375120792 /nfs/dbraw/zinc/12/07/92/375120792.db2.gz FBDLYRGMOGPWIC-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CCCC1 ZINC000474613655 375120799 /nfs/dbraw/zinc/12/07/99/375120799.db2.gz FBDLYRGMOGPWIC-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2)s1)C[NH+](C)C ZINC000491589380 375334540 /nfs/dbraw/zinc/33/45/40/375334540.db2.gz QEXOUAPITBOIAA-ZDUSSCGKSA-N 2 1 289.448 3.097 20 0 CGADMP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2)s1)C[NH+](C)C ZINC000491589379 375334617 /nfs/dbraw/zinc/33/46/17/375334617.db2.gz QEXOUAPITBOIAA-CYBMUJFWSA-N 2 1 289.448 3.097 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)C[NH+](C)C ZINC000491589278 375334736 /nfs/dbraw/zinc/33/47/36/375334736.db2.gz PMKVDLNWKDRWMH-CQSZACIVSA-N 2 1 272.392 3.234 20 0 CGADMP Cc1nc(C(C)C)oc1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000335821012 375458460 /nfs/dbraw/zinc/45/84/60/375458460.db2.gz KENQICCKUYMUHF-UHFFFAOYSA-N 2 1 291.439 3.167 20 0 CGADMP FC(F)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000335851952 375483496 /nfs/dbraw/zinc/48/34/96/375483496.db2.gz COOSGFCBFPQEDY-HOAMVYINSA-N 2 1 272.383 3.027 20 0 CGADMP FC(F)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000335851952 375483504 /nfs/dbraw/zinc/48/35/04/375483504.db2.gz COOSGFCBFPQEDY-HOAMVYINSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000335951052 375564964 /nfs/dbraw/zinc/56/49/64/375564964.db2.gz DKAJDAMPPDWHIZ-HNNXBMFYSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2cccnc12 ZINC000335967667 375580464 /nfs/dbraw/zinc/58/04/64/375580464.db2.gz LCCOAFRHHMFSNF-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cnn1C(C)C ZINC000191328585 375611717 /nfs/dbraw/zinc/61/17/17/375611717.db2.gz CTFIAECJBXUNAB-BPUTZDHNSA-N 2 1 292.471 3.296 20 0 CGADMP CC[N@@H+](C)Cc1cccc(CNc2cc[nH+]cc2C)c1 ZINC000191979510 375686620 /nfs/dbraw/zinc/68/66/20/375686620.db2.gz YEDQLCMLLHKOIP-UHFFFAOYSA-N 2 1 269.392 3.454 20 0 CGADMP C[N@@H+](Cc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000123899137 542029864 /nfs/dbraw/zinc/02/98/64/542029864.db2.gz OKNVODRVWPIFKU-UHFFFAOYSA-N 2 1 272.417 3.026 20 0 CGADMP C[N@@H+](Cc1ccccc1F)Cc1cccc2c1CC[NH2+]C2 ZINC000123916649 542030416 /nfs/dbraw/zinc/03/04/16/542030416.db2.gz OHLXSYGPIHMNRO-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP Cc1c[nH+]ccc1NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000192487310 375756244 /nfs/dbraw/zinc/75/62/44/375756244.db2.gz MHPIIPOOAPGDKR-ZDUSSCGKSA-N 2 1 287.432 3.310 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000336187630 375755280 /nfs/dbraw/zinc/75/52/80/375755280.db2.gz NCKDXAOMMBEFEH-LSDHHAIUSA-N 2 1 286.410 3.372 20 0 CGADMP C[C@@H](F)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000508979836 375767162 /nfs/dbraw/zinc/76/71/62/375767162.db2.gz SICYNQIFBFSYRJ-HPFXQQBRSA-N 2 1 292.442 3.481 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000128448387 542052042 /nfs/dbraw/zinc/05/20/42/542052042.db2.gz QPEUWPPDDCCUQF-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192882833 375797923 /nfs/dbraw/zinc/79/79/23/375797923.db2.gz ZJQDJGAQLVYVKL-CCNLRDMRSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192917722 375801842 /nfs/dbraw/zinc/80/18/42/375801842.db2.gz ZMIMMXRBGJTXPZ-QGZVFWFLSA-N 2 1 284.403 3.200 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192917722 375801843 /nfs/dbraw/zinc/80/18/43/375801843.db2.gz ZMIMMXRBGJTXPZ-QGZVFWFLSA-N 2 1 284.403 3.200 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192917722 375801846 /nfs/dbraw/zinc/80/18/46/375801846.db2.gz ZMIMMXRBGJTXPZ-QGZVFWFLSA-N 2 1 284.403 3.200 20 0 CGADMP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918448 375803588 /nfs/dbraw/zinc/80/35/88/375803588.db2.gz VDHMGTHIOQZQTQ-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927968 375804572 /nfs/dbraw/zinc/80/45/72/375804572.db2.gz XYLYCGPOQIZLLQ-WBVHZDCISA-N 2 1 260.425 3.144 20 0 CGADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000192959322 375808733 /nfs/dbraw/zinc/80/87/33/375808733.db2.gz LTVMCFPLLRMSOD-GOOCMWNKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC2(C)CC2)C1 ZINC000515578810 375814565 /nfs/dbraw/zinc/81/45/65/375814565.db2.gz VHDMSQBPGXDOMA-QLFBSQMISA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000519600704 375849891 /nfs/dbraw/zinc/84/98/91/375849891.db2.gz CPMYGDXIZSTRJQ-MERHEKELSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000519600704 375849908 /nfs/dbraw/zinc/84/99/08/375849908.db2.gz CPMYGDXIZSTRJQ-MERHEKELSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000519600704 375849909 /nfs/dbraw/zinc/84/99/09/375849909.db2.gz CPMYGDXIZSTRJQ-MERHEKELSA-N 2 1 294.389 3.250 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000131369288 542070250 /nfs/dbraw/zinc/07/02/50/542070250.db2.gz STTWAAKSLLRSKK-AEFFLSMTSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)CCC1CCCCC1 ZINC000520598945 375865769 /nfs/dbraw/zinc/86/57/69/375865769.db2.gz VXPRPZIXROPCBP-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC1CCCCC1 ZINC000520598945 375865772 /nfs/dbraw/zinc/86/57/72/375865772.db2.gz VXPRPZIXROPCBP-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC1CCCCC1 ZINC000520598945 375865776 /nfs/dbraw/zinc/86/57/76/375865776.db2.gz VXPRPZIXROPCBP-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC1CCCCC1 ZINC000520598945 375865780 /nfs/dbraw/zinc/86/57/80/375865780.db2.gz VXPRPZIXROPCBP-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC1CCCCC1 ZINC000520598945 375865782 /nfs/dbraw/zinc/86/57/82/375865782.db2.gz VXPRPZIXROPCBP-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CCSCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336803244 375953310 /nfs/dbraw/zinc/95/33/10/375953310.db2.gz XPPBMYPJYSNNFW-JKSUJKDBSA-N 2 1 284.513 3.326 20 0 CGADMP CCSCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336803244 375953317 /nfs/dbraw/zinc/95/33/17/375953317.db2.gz XPPBMYPJYSNNFW-JKSUJKDBSA-N 2 1 284.513 3.326 20 0 CGADMP CCSCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336803244 375953322 /nfs/dbraw/zinc/95/33/22/375953322.db2.gz XPPBMYPJYSNNFW-JKSUJKDBSA-N 2 1 284.513 3.326 20 0 CGADMP C[N@@H+](CCC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336723344 375921338 /nfs/dbraw/zinc/92/13/38/375921338.db2.gz WCXNJDKHFCBSIF-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](CCC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723344 375921346 /nfs/dbraw/zinc/92/13/46/375921346.db2.gz WCXNJDKHFCBSIF-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](CCC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723344 375921350 /nfs/dbraw/zinc/92/13/50/375921350.db2.gz WCXNJDKHFCBSIF-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP CC(C)SCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336786710 375937493 /nfs/dbraw/zinc/93/74/93/375937493.db2.gz IXNZAXMATPLDAY-UHFFFAOYSA-N 2 1 270.486 3.078 20 0 CGADMP CCSCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336800210 375947992 /nfs/dbraw/zinc/94/79/92/375947992.db2.gz LHUSWPMXMDCLFC-MRXNPFEDSA-N 2 1 284.513 3.183 20 0 CGADMP C[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000336830031 375991532 /nfs/dbraw/zinc/99/15/32/375991532.db2.gz BCNGLLJOUJKRBA-YJBOKZPZSA-N 2 1 272.436 3.082 20 0 CGADMP CSc1ccccc1[C@@H](C)NC1CC[NH+](C)CC1 ZINC000194836898 376047614 /nfs/dbraw/zinc/04/76/14/376047614.db2.gz OUUBTQYNFCVKLC-GFCCVEGCSA-N 2 1 264.438 3.153 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000194836898 376047620 /nfs/dbraw/zinc/04/76/20/376047620.db2.gz OUUBTQYNFCVKLC-GFCCVEGCSA-N 2 1 264.438 3.153 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000261964193 190046529 /nfs/dbraw/zinc/04/65/29/190046529.db2.gz AMMATVGEELCMHO-XJKCOSOUSA-N 2 1 287.407 3.334 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000195138454 376082228 /nfs/dbraw/zinc/08/22/28/376082228.db2.gz HKMVPPVYJRSNBT-SJLPKXTDSA-N 2 1 295.430 3.254 20 0 CGADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211946482 376136604 /nfs/dbraw/zinc/13/66/04/376136604.db2.gz GFNUYTHTQUAAFU-KSSFIOAISA-N 2 1 272.436 3.343 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000536853030 376137345 /nfs/dbraw/zinc/13/73/45/376137345.db2.gz TXKNUQNCJIKSSH-CJNGLKHVSA-N 2 1 292.492 3.447 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536858662 376137943 /nfs/dbraw/zinc/13/79/43/376137943.db2.gz RFUZFOIFFXTOJA-TWMKSMIVSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000536865517 376139137 /nfs/dbraw/zinc/13/91/37/376139137.db2.gz VHEKKHXAHHTBTE-XJKSGUPXSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646962 376189001 /nfs/dbraw/zinc/18/90/01/376189001.db2.gz DYLAHCJPSCYHKF-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646962 376189007 /nfs/dbraw/zinc/18/90/07/376189007.db2.gz DYLAHCJPSCYHKF-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646962 376189011 /nfs/dbraw/zinc/18/90/11/376189011.db2.gz DYLAHCJPSCYHKF-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000337234422 376153671 /nfs/dbraw/zinc/15/36/71/376153671.db2.gz AMERIAJYIJDFCB-UHFFFAOYSA-N 2 1 283.366 3.063 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337268674 376181122 /nfs/dbraw/zinc/18/11/22/376181122.db2.gz KSAYGCCCQFDQPC-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337268674 376181129 /nfs/dbraw/zinc/18/11/29/376181129.db2.gz KSAYGCCCQFDQPC-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1F ZINC000536697821 376124713 /nfs/dbraw/zinc/12/47/13/376124713.db2.gz IFRHEWUDZOLDND-QGZVFWFLSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1F ZINC000536697821 376124719 /nfs/dbraw/zinc/12/47/19/376124719.db2.gz IFRHEWUDZOLDND-QGZVFWFLSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1F ZINC000536697821 376124731 /nfs/dbraw/zinc/12/47/31/376124731.db2.gz IFRHEWUDZOLDND-QGZVFWFLSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1F ZINC000536697821 376124742 /nfs/dbraw/zinc/12/47/42/376124742.db2.gz IFRHEWUDZOLDND-QGZVFWFLSA-N 2 1 290.426 3.298 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCSc2ccccc2)[C@@H](C)C1 ZINC000537971751 376213757 /nfs/dbraw/zinc/21/37/57/376213757.db2.gz FPLDPRMPPHSQTB-RDJZCZTQSA-N 2 1 292.492 3.489 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000222661698 376241338 /nfs/dbraw/zinc/24/13/38/376241338.db2.gz VXDVRDQVVSTMGD-WCFLWFBJSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000222661698 376241348 /nfs/dbraw/zinc/24/13/48/376241348.db2.gz VXDVRDQVVSTMGD-WCFLWFBJSA-N 2 1 252.427 3.190 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC000338305261 376326151 /nfs/dbraw/zinc/32/61/51/376326151.db2.gz LJCFVEQAFAHQJK-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCC(F)(F)C2)CC[N@H+]1C ZINC000338305261 376326157 /nfs/dbraw/zinc/32/61/57/376326157.db2.gz LJCFVEQAFAHQJK-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)CC[NH+]1C ZINC000338305261 376326161 /nfs/dbraw/zinc/32/61/61/376326161.db2.gz LJCFVEQAFAHQJK-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)CC[NH+]1C ZINC000338305261 376326170 /nfs/dbraw/zinc/32/61/70/376326170.db2.gz LJCFVEQAFAHQJK-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP CCCC[C@H](CC)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539073691 376291985 /nfs/dbraw/zinc/29/19/85/376291985.db2.gz WYRIRVBWOWVFCW-BBWFWOEESA-N 2 1 284.488 3.434 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(OC)c(F)c1 ZINC000338265049 376303522 /nfs/dbraw/zinc/30/35/22/376303522.db2.gz UCFCZQCEVNVUFU-UHFFFAOYSA-N 2 1 296.430 3.388 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(OC)c(F)c1 ZINC000338265049 376303527 /nfs/dbraw/zinc/30/35/27/376303527.db2.gz UCFCZQCEVNVUFU-UHFFFAOYSA-N 2 1 296.430 3.388 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000226540113 376363390 /nfs/dbraw/zinc/36/33/90/376363390.db2.gz DSYQDHAENROTIW-JBLDHEPKSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000226540113 376363392 /nfs/dbraw/zinc/36/33/92/376363392.db2.gz DSYQDHAENROTIW-JBLDHEPKSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+]C[C@@H]2CC=CCC2)([NH+](C)C)C1 ZINC000226701509 376369633 /nfs/dbraw/zinc/36/96/33/376369633.db2.gz UJOMYBABDOVECH-ZACQAIPSSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000226892242 376375153 /nfs/dbraw/zinc/37/51/53/376375153.db2.gz SUGKUONYNZMGNJ-GQGLESIBSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000226892242 376375155 /nfs/dbraw/zinc/37/51/55/376375155.db2.gz SUGKUONYNZMGNJ-GQGLESIBSA-N 2 1 264.457 3.418 20 0 CGADMP CCC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000540505198 376377471 /nfs/dbraw/zinc/37/74/71/376377471.db2.gz VPJLSWOEXRKUDY-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000540505198 376377479 /nfs/dbraw/zinc/37/74/79/376377479.db2.gz VPJLSWOEXRKUDY-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000540505198 376377484 /nfs/dbraw/zinc/37/74/84/376377484.db2.gz VPJLSWOEXRKUDY-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000228496864 376438333 /nfs/dbraw/zinc/43/83/33/376438333.db2.gz FLIAAZXVYYZVLV-HNNXBMFYSA-N 2 1 296.842 3.080 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000228496864 376438336 /nfs/dbraw/zinc/43/83/36/376438336.db2.gz FLIAAZXVYYZVLV-HNNXBMFYSA-N 2 1 296.842 3.080 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000338686703 376480400 /nfs/dbraw/zinc/48/04/00/376480400.db2.gz IZYORCBOZWJWDT-UHFFFAOYSA-N 2 1 261.413 3.140 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC000228767781 376446915 /nfs/dbraw/zinc/44/69/15/376446915.db2.gz OCIFRPXVTWCEOI-WDBKCZKBSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC000228767781 376446919 /nfs/dbraw/zinc/44/69/19/376446919.db2.gz OCIFRPXVTWCEOI-WDBKCZKBSA-N 2 1 282.790 3.038 20 0 CGADMP CS[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000541568401 376459978 /nfs/dbraw/zinc/45/99/78/376459978.db2.gz QEAAKBLVOPEPBV-IGQOVBAYSA-N 2 1 272.502 3.082 20 0 CGADMP CC(C)CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000338793813 376538091 /nfs/dbraw/zinc/53/80/91/376538091.db2.gz OKPQNQWTOYDRQN-INIZCTEOSA-N 2 1 250.430 3.053 20 0 CGADMP CC[N@H+]1CC[C@H](CN[C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670826 376567831 /nfs/dbraw/zinc/56/78/31/376567831.db2.gz NTDCAIDNNCQKSZ-RHSMWYFYSA-N 2 1 276.424 3.361 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670826 376567839 /nfs/dbraw/zinc/56/78/39/376567839.db2.gz NTDCAIDNNCQKSZ-RHSMWYFYSA-N 2 1 276.424 3.361 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccc(F)cc2F)CCN1C ZINC000542702439 376570764 /nfs/dbraw/zinc/57/07/64/376570764.db2.gz GUNDTPGGOBRQFG-DUIDPNDXSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccc(F)cc2F)CCN1C ZINC000542702439 376570768 /nfs/dbraw/zinc/57/07/68/376570768.db2.gz GUNDTPGGOBRQFG-DUIDPNDXSA-N 2 1 294.389 3.393 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000237169746 376732752 /nfs/dbraw/zinc/73/27/52/376732752.db2.gz MNAGDOQAZSVWKU-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000339174279 376725395 /nfs/dbraw/zinc/72/53/95/376725395.db2.gz SEXPOWYUULZFAH-UHFFFAOYSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(C)c1C ZINC000237372758 376740983 /nfs/dbraw/zinc/74/09/83/376740983.db2.gz NPMAIOWYHFQHBN-ZDUSSCGKSA-N 2 1 271.408 3.234 20 0 CGADMP CC(C)[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000339409455 376750616 /nfs/dbraw/zinc/75/06/16/376750616.db2.gz YXBKQSFAOBEMNV-AEFFLSMTSA-N 2 1 274.452 3.487 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC000245444127 376818841 /nfs/dbraw/zinc/81/88/41/376818841.db2.gz JJLCGSDAZLQBKN-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC000245444127 376818856 /nfs/dbraw/zinc/81/88/56/376818856.db2.gz JJLCGSDAZLQBKN-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000245444127 376818867 /nfs/dbraw/zinc/81/88/67/376818867.db2.gz JJLCGSDAZLQBKN-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000245444127 376818872 /nfs/dbraw/zinc/81/88/72/376818872.db2.gz JJLCGSDAZLQBKN-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449112 376819565 /nfs/dbraw/zinc/81/95/65/376819565.db2.gz NKGAWFQNIYFSJW-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449112 376819568 /nfs/dbraw/zinc/81/95/68/376819568.db2.gz NKGAWFQNIYFSJW-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449112 376819573 /nfs/dbraw/zinc/81/95/73/376819573.db2.gz NKGAWFQNIYFSJW-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccccc2)[C@@H](C)C1 ZINC000245443824 376817269 /nfs/dbraw/zinc/81/72/69/376817269.db2.gz XLHUXSVSEVGGCX-WMZOPIPTSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccccc2)[C@@H](C)C1 ZINC000245443824 376817273 /nfs/dbraw/zinc/81/72/73/376817273.db2.gz XLHUXSVSEVGGCX-WMZOPIPTSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2ccccc2)[C@@H](C)C1 ZINC000245443824 376817280 /nfs/dbraw/zinc/81/72/80/376817280.db2.gz XLHUXSVSEVGGCX-WMZOPIPTSA-N 2 1 290.451 3.118 20 0 CGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245605677 376868173 /nfs/dbraw/zinc/86/81/73/376868173.db2.gz JZZFCDXICVDPED-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245605677 376868180 /nfs/dbraw/zinc/86/81/80/376868180.db2.gz JZZFCDXICVDPED-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245605677 376868189 /nfs/dbraw/zinc/86/81/89/376868189.db2.gz JZZFCDXICVDPED-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]2CCCC[C@H]21 ZINC000245656826 376877060 /nfs/dbraw/zinc/87/70/60/376877060.db2.gz DWNHAJKLWCALAG-BZUAXINKSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245656826 376877072 /nfs/dbraw/zinc/87/70/72/376877072.db2.gz DWNHAJKLWCALAG-BZUAXINKSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245656826 376877086 /nfs/dbraw/zinc/87/70/86/376877086.db2.gz DWNHAJKLWCALAG-BZUAXINKSA-N 2 1 250.430 3.125 20 0 CGADMP CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000245765079 376903410 /nfs/dbraw/zinc/90/34/10/376903410.db2.gz QNNNXXGTCAKPKK-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000245765079 376903419 /nfs/dbraw/zinc/90/34/19/376903419.db2.gz QNNNXXGTCAKPKK-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000245765079 376903428 /nfs/dbraw/zinc/90/34/28/376903428.db2.gz QNNNXXGTCAKPKK-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000245694089 376881489 /nfs/dbraw/zinc/88/14/89/376881489.db2.gz QOYRPELLGPSYER-DKIMLUQUSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000245708370 376886252 /nfs/dbraw/zinc/88/62/52/376886252.db2.gz SJUOJRNEAQCJCK-LSDHHAIUSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000245708370 376886259 /nfs/dbraw/zinc/88/62/59/376886259.db2.gz SJUOJRNEAQCJCK-LSDHHAIUSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1C ZINC000245781652 376906493 /nfs/dbraw/zinc/90/64/93/376906493.db2.gz ULFGRZOYJAQBGE-YOEHRIQHSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000245781652 376906507 /nfs/dbraw/zinc/90/65/07/376906507.db2.gz ULFGRZOYJAQBGE-YOEHRIQHSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000245781652 376906519 /nfs/dbraw/zinc/90/65/19/376906519.db2.gz ULFGRZOYJAQBGE-YOEHRIQHSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000245781652 376906529 /nfs/dbraw/zinc/90/65/29/376906529.db2.gz ULFGRZOYJAQBGE-YOEHRIQHSA-N 2 1 260.425 3.218 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000245904113 376929678 /nfs/dbraw/zinc/92/96/78/376929678.db2.gz OHIBRBQBNILAHF-DJIMGWMZSA-N 2 1 294.483 3.044 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000245904118 376930510 /nfs/dbraw/zinc/93/05/10/376930510.db2.gz OHIBRBQBNILAHF-HYVNUMGLSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000245986059 376949431 /nfs/dbraw/zinc/94/94/31/376949431.db2.gz CCNNQDYVTQGGIR-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000246873186 377110289 /nfs/dbraw/zinc/11/02/89/377110289.db2.gz DBSLORBFQDQLEA-FPMFFAJLSA-N 2 1 282.378 3.488 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000246890490 377111815 /nfs/dbraw/zinc/11/18/15/377111815.db2.gz FKEXKGGTORUZRD-CVEARBPZSA-N 2 1 252.446 3.443 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C12CCCC2 ZINC000246898818 377114070 /nfs/dbraw/zinc/11/40/70/377114070.db2.gz FDQWVNCEDIMYMB-OVYGPGRDSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCCCC1 ZINC000559898195 377106222 /nfs/dbraw/zinc/10/62/22/377106222.db2.gz YMWHITVNXCQNLG-BSWAZPDLSA-N 2 1 264.457 3.133 20 0 CGADMP CCn1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000246966893 377129638 /nfs/dbraw/zinc/12/96/38/377129638.db2.gz IWNDLBVKRGWIKP-HZPDHXFCSA-N 2 1 292.471 3.208 20 0 CGADMP Cc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247030980 377141914 /nfs/dbraw/zinc/14/19/14/377141914.db2.gz YJPUXDPZKJOCKH-PKOBYXMFSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247030980 377141918 /nfs/dbraw/zinc/14/19/18/377141918.db2.gz YJPUXDPZKJOCKH-PKOBYXMFSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247030980 377141921 /nfs/dbraw/zinc/14/19/21/377141921.db2.gz YJPUXDPZKJOCKH-PKOBYXMFSA-N 2 1 284.447 3.444 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000560364850 377142612 /nfs/dbraw/zinc/14/26/12/377142612.db2.gz NVZHFGJUROREDK-HJWJTTGWSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000560364850 377142620 /nfs/dbraw/zinc/14/26/20/377142620.db2.gz NVZHFGJUROREDK-HJWJTTGWSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000560364850 377142628 /nfs/dbraw/zinc/14/26/28/377142628.db2.gz NVZHFGJUROREDK-HJWJTTGWSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000560364850 377142636 /nfs/dbraw/zinc/14/26/36/377142636.db2.gz NVZHFGJUROREDK-HJWJTTGWSA-N 2 1 264.457 3.251 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c21 ZINC000247142057 377166994 /nfs/dbraw/zinc/16/69/94/377166994.db2.gz WFAMZYBIPDFLSE-GOEBONIOSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@@H]1C[C@@H](N[C@H]2CCSc3c(F)cccc32)CC[N@H+]1C ZINC000247213496 377177017 /nfs/dbraw/zinc/17/70/17/377177017.db2.gz XCMBBPJGCWWUGF-XUJVJEKNSA-N 2 1 294.439 3.435 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)CCN1C ZINC000247213496 377177025 /nfs/dbraw/zinc/17/70/25/377177025.db2.gz XCMBBPJGCWWUGF-XUJVJEKNSA-N 2 1 294.439 3.435 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)CC)[C@H](C)C1 ZINC000247202419 377177342 /nfs/dbraw/zinc/17/73/42/377177342.db2.gz WLFINGPJLSQJNM-VQHPVUNQSA-N 2 1 284.488 3.148 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)[C@@H](C)C1 ZINC000247202391 377177789 /nfs/dbraw/zinc/17/77/89/377177789.db2.gz WLFINGPJLSQJNM-NXOAAHMSSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000560593906 377177915 /nfs/dbraw/zinc/17/79/15/377177915.db2.gz ADVMLEYFGHQHQX-HKUYNNGSSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000560593906 377177919 /nfs/dbraw/zinc/17/79/19/377177919.db2.gz ADVMLEYFGHQHQX-HKUYNNGSSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000560593906 377177921 /nfs/dbraw/zinc/17/79/21/377177921.db2.gz ADVMLEYFGHQHQX-HKUYNNGSSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCC2)C1 ZINC000247246299 377183630 /nfs/dbraw/zinc/18/36/30/377183630.db2.gz DRPXSHYOKYJIBM-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000247246299 377183638 /nfs/dbraw/zinc/18/36/38/377183638.db2.gz DRPXSHYOKYJIBM-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000247246299 377183647 /nfs/dbraw/zinc/18/36/47/377183647.db2.gz DRPXSHYOKYJIBM-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000247458582 377207550 /nfs/dbraw/zinc/20/75/50/377207550.db2.gz ICZMDLXGUOHABO-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000247458582 377207557 /nfs/dbraw/zinc/20/75/57/377207557.db2.gz ICZMDLXGUOHABO-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000247458582 377207561 /nfs/dbraw/zinc/20/75/61/377207561.db2.gz ICZMDLXGUOHABO-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000247458582 377207565 /nfs/dbraw/zinc/20/75/65/377207565.db2.gz ICZMDLXGUOHABO-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP C[C@H](C[NH+]1C[C@H]2CCC[C@@H]2C1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000247470225 377208984 /nfs/dbraw/zinc/20/89/84/377208984.db2.gz VEJXTSKZGCWXLA-ZKXLYKBJSA-N 2 1 276.468 3.086 20 0 CGADMP [NH3+][C@H]1CCC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000561267671 377216595 /nfs/dbraw/zinc/21/65/95/377216595.db2.gz QMVGGKJYBNPOAQ-MNOVXSKESA-N 2 1 261.394 3.226 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000561771504 377245437 /nfs/dbraw/zinc/24/54/37/377245437.db2.gz FRKKOGDCPGATER-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000248048296 377259860 /nfs/dbraw/zinc/25/98/60/377259860.db2.gz VUQMPXVDEGKMMR-LFEHRJTNSA-N 2 1 286.463 3.425 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[NH+](C)C ZINC000562020015 377266166 /nfs/dbraw/zinc/26/61/66/377266166.db2.gz QYAZODZERQZEQP-JYJNAYRXSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(F)c1 ZINC000340672881 377204029 /nfs/dbraw/zinc/20/40/29/377204029.db2.gz CDPOPRIEUCYAKK-UHFFFAOYSA-N 2 1 294.414 3.142 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(F)c1 ZINC000340672881 377204038 /nfs/dbraw/zinc/20/40/38/377204038.db2.gz CDPOPRIEUCYAKK-UHFFFAOYSA-N 2 1 294.414 3.142 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000562020355 377266667 /nfs/dbraw/zinc/26/66/67/377266667.db2.gz XPGHDVOQWAHGGV-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000248430173 377320135 /nfs/dbraw/zinc/32/01/35/377320135.db2.gz VLZIYIZLLCKARV-QRTARXTBSA-N 2 1 275.440 3.410 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000248487812 377330168 /nfs/dbraw/zinc/33/01/68/377330168.db2.gz MBGYFBRIBQTETA-HRCADAONSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000248487812 377330175 /nfs/dbraw/zinc/33/01/75/377330175.db2.gz MBGYFBRIBQTETA-HRCADAONSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000248487812 377330182 /nfs/dbraw/zinc/33/01/82/377330182.db2.gz MBGYFBRIBQTETA-HRCADAONSA-N 2 1 252.446 3.086 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000562066315 377274247 /nfs/dbraw/zinc/27/42/47/377274247.db2.gz ULUIDXYOXCXJLQ-NEWSRXKRSA-N 2 1 284.447 3.287 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000562206085 377284874 /nfs/dbraw/zinc/28/48/74/377284874.db2.gz LUMBTDDJUSXAFQ-ZDUSSCGKSA-N 2 1 298.833 3.342 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2ccccc2C1(C)C ZINC000562863101 377367088 /nfs/dbraw/zinc/36/70/88/377367088.db2.gz VWLRCXZZWJCDBO-MRXNPFEDSA-N 2 1 272.436 3.264 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000562962759 377380679 /nfs/dbraw/zinc/38/06/79/377380679.db2.gz YASZMYZMOPWWOD-BBRMVZONSA-N 2 1 276.424 3.172 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(CC)CC ZINC000248760188 377398938 /nfs/dbraw/zinc/39/89/38/377398938.db2.gz DJPUVBHSXJTDET-SLUKUZTOSA-N 2 1 294.483 3.185 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000562740803 377355681 /nfs/dbraw/zinc/35/56/81/377355681.db2.gz YLJPQBDWAUQCAC-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000341187510 377438074 /nfs/dbraw/zinc/43/80/74/377438074.db2.gz CSGGBCXUWGFYAD-GFCCVEGCSA-N 2 1 289.448 3.364 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCC=CO2)C1 ZINC000248875102 377417976 /nfs/dbraw/zinc/41/79/76/377417976.db2.gz JBWSFVQLESQHCP-FGTMMUONSA-N 2 1 292.467 3.266 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248875102 377417985 /nfs/dbraw/zinc/41/79/85/377417985.db2.gz JBWSFVQLESQHCP-FGTMMUONSA-N 2 1 292.467 3.266 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248875102 377417997 /nfs/dbraw/zinc/41/79/97/377417997.db2.gz JBWSFVQLESQHCP-FGTMMUONSA-N 2 1 292.467 3.266 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341248281 377464370 /nfs/dbraw/zinc/46/43/70/377464370.db2.gz XLWITBBVQKYQLU-LZWOXQAQSA-N 2 1 292.492 3.412 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341248281 377464375 /nfs/dbraw/zinc/46/43/75/377464375.db2.gz XLWITBBVQKYQLU-LZWOXQAQSA-N 2 1 292.492 3.412 20 0 CGADMP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000249132234 377470033 /nfs/dbraw/zinc/47/00/33/377470033.db2.gz SSTHBJKPHFHZLX-IPMKNSEASA-N 2 1 298.474 3.472 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249425709 377500705 /nfs/dbraw/zinc/50/07/05/377500705.db2.gz DPHCWTBXNUDRCG-CABCVRRESA-N 2 1 276.424 3.163 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249425709 377500712 /nfs/dbraw/zinc/50/07/12/377500712.db2.gz DPHCWTBXNUDRCG-CABCVRRESA-N 2 1 276.424 3.163 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649240 249002237 /nfs/dbraw/zinc/00/22/37/249002237.db2.gz FKGJUSWVZBFYAF-LSDHHAIUSA-N 2 1 288.435 3.220 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649240 249002238 /nfs/dbraw/zinc/00/22/38/249002238.db2.gz FKGJUSWVZBFYAF-LSDHHAIUSA-N 2 1 288.435 3.220 20 0 CGADMP Cc1cc2cc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)oc2cc1C ZINC000469857916 249160060 /nfs/dbraw/zinc/16/00/60/249160060.db2.gz YZXIRJWKOHZNBT-ZIAGYGMSSA-N 2 1 272.392 3.219 20 0 CGADMP Clc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250264986 377557254 /nfs/dbraw/zinc/55/72/54/377557254.db2.gz WNBXRQNCZRJPBD-HOTGVXAUSA-N 2 1 278.827 3.099 20 0 CGADMP CC[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000469877191 249161313 /nfs/dbraw/zinc/16/13/13/249161313.db2.gz DWQOCZIKZCBKES-SPUZQDLCSA-N 2 1 272.436 3.239 20 0 CGADMP Cc1cccc(C[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C2CC2)c1 ZINC000481296878 249170304 /nfs/dbraw/zinc/17/03/04/249170304.db2.gz UXJFXZJOLTUGID-RBUKOAKNSA-N 2 1 286.463 3.246 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000514803356 249190154 /nfs/dbraw/zinc/19/01/54/249190154.db2.gz YNCHESANVWFUJV-VPAKFMSCSA-N 2 1 284.447 3.253 20 0 CGADMP Cc1cnc(C)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000573815130 377581645 /nfs/dbraw/zinc/58/16/45/377581645.db2.gz MBTNUVOHABROQX-PBHICJAKSA-N 2 1 296.418 3.168 20 0 CGADMP [NH3+]C[C@H](C[N@@H+](C1CC1)C1CCCC1)c1ccc(F)cc1 ZINC000573793751 377576425 /nfs/dbraw/zinc/57/64/25/377576425.db2.gz VIOOQJDCNBBWFI-CQSZACIVSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000252107631 377616364 /nfs/dbraw/zinc/61/63/64/377616364.db2.gz JDDRCMQVPAMKKD-FAHTYWLASA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000252107631 377616370 /nfs/dbraw/zinc/61/63/70/377616370.db2.gz JDDRCMQVPAMKKD-FAHTYWLASA-N 2 1 264.457 3.416 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCC3(CCCO3)CC2)CCCCC1 ZINC000574377311 377654740 /nfs/dbraw/zinc/65/47/40/377654740.db2.gz HZWATTVETLZLGY-UHFFFAOYSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252771723 377662703 /nfs/dbraw/zinc/66/27/03/377662703.db2.gz LUGLQSDIIPGQHP-QJPTWQEYSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252771723 377662710 /nfs/dbraw/zinc/66/27/10/377662710.db2.gz LUGLQSDIIPGQHP-QJPTWQEYSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261554716 377815539 /nfs/dbraw/zinc/81/55/39/377815539.db2.gz BCRXUZRKLISYNJ-REJLFOLJSA-N 2 1 264.800 3.070 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000261582480 377820735 /nfs/dbraw/zinc/82/07/35/377820735.db2.gz RGENFEOELDNBJA-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000261582480 377820740 /nfs/dbraw/zinc/82/07/40/377820740.db2.gz RGENFEOELDNBJA-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261632917 377831320 /nfs/dbraw/zinc/83/13/20/377831320.db2.gz BLGCWRCSCRCULR-IAQYHMDHSA-N 2 1 284.350 3.020 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257708483 377798969 /nfs/dbraw/zinc/79/89/69/377798969.db2.gz SAKGUBWLMBFZQW-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257708483 377798972 /nfs/dbraw/zinc/79/89/72/377798972.db2.gz SAKGUBWLMBFZQW-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000261888362 377862427 /nfs/dbraw/zinc/86/24/27/377862427.db2.gz SJEIEDVSYRVXPX-XJKSGUPXSA-N 2 1 264.388 3.208 20 0 CGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000342937745 377866934 /nfs/dbraw/zinc/86/69/34/377866934.db2.gz INOPTUUQTXSXFC-QGZVFWFLSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000342937745 377866941 /nfs/dbraw/zinc/86/69/41/377866941.db2.gz INOPTUUQTXSXFC-QGZVFWFLSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)C[N@H+](CC(C)(C)[NH3+])[C@@H]1CCCc2cccnc21 ZINC000261919625 377867637 /nfs/dbraw/zinc/86/76/37/377867637.db2.gz KFQOLMQCQWNPMU-OAHLLOKOSA-N 2 1 275.440 3.154 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261933258 377869686 /nfs/dbraw/zinc/86/96/86/377869686.db2.gz LSLWNXATXVBXLG-HNNXBMFYSA-N 2 1 266.816 3.073 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261933258 377869690 /nfs/dbraw/zinc/86/96/90/377869690.db2.gz LSLWNXATXVBXLG-HNNXBMFYSA-N 2 1 266.816 3.073 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261924600 377869700 /nfs/dbraw/zinc/86/97/00/377869700.db2.gz BZSVJIZUPKTPCV-DLBZAZTESA-N 2 1 290.476 3.085 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261924600 377869704 /nfs/dbraw/zinc/86/97/04/377869704.db2.gz BZSVJIZUPKTPCV-DLBZAZTESA-N 2 1 290.476 3.085 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261971078 377873810 /nfs/dbraw/zinc/87/38/10/377873810.db2.gz IGUKBIXNGSSHBW-IAGOWNOFSA-N 2 1 260.425 3.315 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261983999 377875412 /nfs/dbraw/zinc/87/54/12/377875412.db2.gz RWJBLLCWSWGYJT-INIZCTEOSA-N 2 1 298.430 3.279 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261994358 377876696 /nfs/dbraw/zinc/87/66/96/377876696.db2.gz KPOWGCOXFWRURK-XJKSGUPXSA-N 2 1 280.843 3.202 20 0 CGADMP CC1CCC([N@@H+](C[C@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262043201 377883089 /nfs/dbraw/zinc/88/30/89/377883089.db2.gz PJCJDKBHPXRKSW-OPQOLIRYSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262080974 377885030 /nfs/dbraw/zinc/88/50/30/377885030.db2.gz TWALGEPEBHYBQA-FRFSOERESA-N 2 1 276.399 3.003 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000262117684 377887729 /nfs/dbraw/zinc/88/77/29/377887729.db2.gz KIEUEACCZNHYLJ-BMGDILEWSA-N 2 1 295.430 3.102 20 0 CGADMP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000261723866 377845089 /nfs/dbraw/zinc/84/50/89/377845089.db2.gz KPZHTKAXNFTDEW-LLVKDONJSA-N 2 1 284.350 3.033 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCn1ccnc1C ZINC000342863905 377846713 /nfs/dbraw/zinc/84/67/13/377846713.db2.gz KGEFHMOCOSWZCZ-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000342863905 377846718 /nfs/dbraw/zinc/84/67/18/377846718.db2.gz KGEFHMOCOSWZCZ-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000342863905 377846725 /nfs/dbraw/zinc/84/67/25/377846725.db2.gz KGEFHMOCOSWZCZ-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000261869430 377860651 /nfs/dbraw/zinc/86/06/51/377860651.db2.gz ONWMYAADOBKRDT-UAGQMJEPSA-N 2 1 290.476 3.165 20 0 CGADMP CCCOCc1ccccc1CN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000343560944 378021523 /nfs/dbraw/zinc/02/15/23/378021523.db2.gz HMSIMIFQHTUNGJ-YJBOKZPZSA-N 2 1 290.451 3.043 20 0 CGADMP CCCOCc1ccccc1CN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343560944 378021529 /nfs/dbraw/zinc/02/15/29/378021529.db2.gz HMSIMIFQHTUNGJ-YJBOKZPZSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000268874524 378138109 /nfs/dbraw/zinc/13/81/09/378138109.db2.gz QEVCPOLAMHDWLH-LLVKDONJSA-N 2 1 279.334 3.211 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268918793 378152998 /nfs/dbraw/zinc/15/29/98/378152998.db2.gz PTCUMRANANLTBP-UONOGXRCSA-N 2 1 299.418 3.209 20 0 CGADMP CC[N@H+](Cc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345204485 378222666 /nfs/dbraw/zinc/22/26/66/378222666.db2.gz NQTTWFVSKYVKBZ-AWEZNQCLSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345204485 378222672 /nfs/dbraw/zinc/22/26/72/378222672.db2.gz NQTTWFVSKYVKBZ-AWEZNQCLSA-N 2 1 284.806 3.443 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000579915918 378207391 /nfs/dbraw/zinc/20/73/91/378207391.db2.gz KYNACVIBVWDAQY-HNNXBMFYSA-N 2 1 288.426 3.474 20 0 CGADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000580045959 378219612 /nfs/dbraw/zinc/21/96/12/378219612.db2.gz HCSFONALCIQWSW-AWEZNQCLSA-N 2 1 266.454 3.186 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1F ZINC000579409533 378158687 /nfs/dbraw/zinc/15/86/87/378158687.db2.gz VRUOLIVOOPRTDL-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1F ZINC000579409533 378158691 /nfs/dbraw/zinc/15/86/91/378158691.db2.gz VRUOLIVOOPRTDL-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1F ZINC000579409533 378158695 /nfs/dbraw/zinc/15/86/95/378158695.db2.gz VRUOLIVOOPRTDL-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1(CC)CC ZINC000344134237 378160287 /nfs/dbraw/zinc/16/02/87/378160287.db2.gz RRIWGJCSSBWLKZ-LUKYLMHMSA-N 2 1 294.483 3.187 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1(CC)CC ZINC000344134237 378160292 /nfs/dbraw/zinc/16/02/92/378160292.db2.gz RRIWGJCSSBWLKZ-LUKYLMHMSA-N 2 1 294.483 3.187 20 0 CGADMP CCC(CC)[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000579693478 378183826 /nfs/dbraw/zinc/18/38/26/378183826.db2.gz NFIPVFFFAZATKM-HNNXBMFYSA-N 2 1 290.451 3.391 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000580984952 378273162 /nfs/dbraw/zinc/27/31/62/378273162.db2.gz ULXYCWVZAUDQIP-ZIAGYGMSSA-N 2 1 266.404 3.248 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000580984952 378273165 /nfs/dbraw/zinc/27/31/65/378273165.db2.gz ULXYCWVZAUDQIP-ZIAGYGMSSA-N 2 1 266.404 3.248 20 0 CGADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000269856792 378273563 /nfs/dbraw/zinc/27/35/63/378273563.db2.gz HJPNBYRSLPXKCO-BDJLRTHQSA-N 2 1 292.373 3.026 20 0 CGADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000269856792 378273568 /nfs/dbraw/zinc/27/35/68/378273568.db2.gz HJPNBYRSLPXKCO-BDJLRTHQSA-N 2 1 292.373 3.026 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581038310 378277168 /nfs/dbraw/zinc/27/71/68/378277168.db2.gz CSUQBFLMSOSNOW-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000581038310 378277173 /nfs/dbraw/zinc/27/71/73/378277173.db2.gz CSUQBFLMSOSNOW-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000582056953 378283178 /nfs/dbraw/zinc/28/31/78/378283178.db2.gz ICIJJZZPNNIUEZ-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000582056953 378283186 /nfs/dbraw/zinc/28/31/86/378283186.db2.gz ICIJJZZPNNIUEZ-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(Cl)ccc2F)C1 ZINC000583591841 378333806 /nfs/dbraw/zinc/33/38/06/378333806.db2.gz ILJMLLWRCVFPHZ-BLLLJJGKSA-N 2 1 296.817 3.395 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000583612319 378335280 /nfs/dbraw/zinc/33/52/80/378335280.db2.gz XXLLNRCLVQACBB-CYBMUJFWSA-N 2 1 256.340 3.231 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000583743494 378342687 /nfs/dbraw/zinc/34/26/87/378342687.db2.gz SINDTQNHZCQQPN-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCc1ccc(F)cc1Cl ZINC000583804779 378348286 /nfs/dbraw/zinc/34/82/86/378348286.db2.gz BHCJSEUALDRWIA-MLGOLLRUSA-N 2 1 298.833 3.294 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCc1ccc(F)cc1Cl ZINC000583804779 378348290 /nfs/dbraw/zinc/34/82/90/378348290.db2.gz BHCJSEUALDRWIA-MLGOLLRUSA-N 2 1 298.833 3.294 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCc1ccc(F)cc1Cl ZINC000583804779 378348294 /nfs/dbraw/zinc/34/82/94/378348294.db2.gz BHCJSEUALDRWIA-MLGOLLRUSA-N 2 1 298.833 3.294 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000583804779 378348298 /nfs/dbraw/zinc/34/82/98/378348298.db2.gz BHCJSEUALDRWIA-MLGOLLRUSA-N 2 1 298.833 3.294 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000270633300 378379230 /nfs/dbraw/zinc/37/92/30/378379230.db2.gz HGTJAKPPBIONQC-ZDUSSCGKSA-N 2 1 291.826 3.408 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000270633300 378379237 /nfs/dbraw/zinc/37/92/37/378379237.db2.gz HGTJAKPPBIONQC-ZDUSSCGKSA-N 2 1 291.826 3.408 20 0 CGADMP Cc1nccn1CCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000270668986 378384929 /nfs/dbraw/zinc/38/49/29/378384929.db2.gz RTLARYJYTPHLOE-RHSMWYFYSA-N 2 1 269.392 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000270668986 378384938 /nfs/dbraw/zinc/38/49/38/378384938.db2.gz RTLARYJYTPHLOE-RHSMWYFYSA-N 2 1 269.392 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000270687413 378387278 /nfs/dbraw/zinc/38/72/78/378387278.db2.gz VMFCTOHSERXWIC-CQSZACIVSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@H]1C ZINC000270687413 378387280 /nfs/dbraw/zinc/38/72/80/378387280.db2.gz VMFCTOHSERXWIC-CQSZACIVSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CC(C)C)C(C)C ZINC000346131602 378473752 /nfs/dbraw/zinc/47/37/52/378473752.db2.gz KOJWVTYLSAMVBO-UHFFFAOYSA-N 2 1 286.423 3.442 20 0 CGADMP Cc1cccc(C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)c1 ZINC000271910498 378513298 /nfs/dbraw/zinc/51/32/98/378513298.db2.gz XXRJEVZUULAIKM-IBGZPJMESA-N 2 1 284.447 3.168 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000272055831 378554257 /nfs/dbraw/zinc/55/42/57/378554257.db2.gz SLZKYZMLWFXUDH-MAUKXSAKSA-N 2 1 289.467 3.199 20 0 CGADMP CC(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272208045 378585462 /nfs/dbraw/zinc/58/54/62/378585462.db2.gz PSWCPFMZGWFNEL-NVXWUHKLSA-N 2 1 260.425 3.143 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000346550271 378615788 /nfs/dbraw/zinc/61/57/88/378615788.db2.gz FXVKSXNCNMDTBC-RYRKJORJSA-N 2 1 290.451 3.054 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272671339 378685433 /nfs/dbraw/zinc/68/54/33/378685433.db2.gz TVKUNQXTWZPYTD-KRWDZBQOSA-N 2 1 288.410 3.445 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272706181 378691581 /nfs/dbraw/zinc/69/15/81/378691581.db2.gz BSBXAAAFMFMVQH-HLLBOEOZSA-N 2 1 292.492 3.238 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566416365 322121395 /nfs/dbraw/zinc/12/13/95/322121395.db2.gz LEDXQDVHKCHBQD-DGCLKSJQSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000566416365 322121398 /nfs/dbraw/zinc/12/13/98/322121398.db2.gz LEDXQDVHKCHBQD-DGCLKSJQSA-N 2 1 289.345 3.016 20 0 CGADMP Cc1scc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000638116236 378704240 /nfs/dbraw/zinc/70/42/40/378704240.db2.gz IQBQZUULTHXHAQ-IAQYHMDHSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000638116236 378704244 /nfs/dbraw/zinc/70/42/44/378704244.db2.gz IQBQZUULTHXHAQ-IAQYHMDHSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000638116236 378704247 /nfs/dbraw/zinc/70/42/47/378704247.db2.gz IQBQZUULTHXHAQ-IAQYHMDHSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000638116236 378704249 /nfs/dbraw/zinc/70/42/49/378704249.db2.gz IQBQZUULTHXHAQ-IAQYHMDHSA-N 2 1 266.454 3.279 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)cccc2OC)C1 ZINC000638127026 378711734 /nfs/dbraw/zinc/71/17/34/378711734.db2.gz GBRNDBJKBHHIIF-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cccc2OC)C1 ZINC000638127026 378711737 /nfs/dbraw/zinc/71/17/37/378711737.db2.gz GBRNDBJKBHHIIF-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cccc2OC)C1 ZINC000638127026 378711740 /nfs/dbraw/zinc/71/17/40/378711740.db2.gz GBRNDBJKBHHIIF-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cccc2OC)C1 ZINC000638127026 378711745 /nfs/dbraw/zinc/71/17/45/378711745.db2.gz GBRNDBJKBHHIIF-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP Cc1ccoc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000266170403 190237308 /nfs/dbraw/zinc/23/73/08/190237308.db2.gz QXSBEOZXVMNCNS-AWEZNQCLSA-N 2 1 252.402 3.044 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(F)F ZINC000638365479 378778825 /nfs/dbraw/zinc/77/88/25/378778825.db2.gz DRVPOHXIXNVQIM-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000638366472 378780249 /nfs/dbraw/zinc/78/02/49/378780249.db2.gz PFGHEIXZGGHXPB-RRFJBIMHSA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000278483885 194005368 /nfs/dbraw/zinc/00/53/68/194005368.db2.gz KOVHOUMZOWOVTJ-WMZOPIPTSA-N 2 1 290.451 3.228 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000274578699 378853899 /nfs/dbraw/zinc/85/38/99/378853899.db2.gz KKILUCAFMFYWKL-LBPRGKRZSA-N 2 1 294.464 3.424 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000274631710 378865645 /nfs/dbraw/zinc/86/56/45/378865645.db2.gz ZUIPCHQYEFQIQU-LBPRGKRZSA-N 2 1 270.442 3.138 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000274631710 378865649 /nfs/dbraw/zinc/86/56/49/378865649.db2.gz ZUIPCHQYEFQIQU-LBPRGKRZSA-N 2 1 270.442 3.138 20 0 CGADMP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000638707706 378882388 /nfs/dbraw/zinc/88/23/88/378882388.db2.gz KLUFSUVVIDZUEQ-CGTJXYLNSA-N 2 1 290.451 3.225 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000638709280 378884201 /nfs/dbraw/zinc/88/42/01/378884201.db2.gz QFQPSCXFCFNDOS-DZOHQFGASA-N 2 1 272.436 3.253 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000348267070 378875476 /nfs/dbraw/zinc/87/54/76/378875476.db2.gz ZKSWDBKWSGDRRM-NJAFHUGGSA-N 2 1 272.436 3.112 20 0 CGADMP COc1cccc(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000638701028 378879709 /nfs/dbraw/zinc/87/97/09/378879709.db2.gz NFHQBGIZSQLEIE-MQVJKMGUSA-N 2 1 288.435 3.109 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000638770000 378906982 /nfs/dbraw/zinc/90/69/82/378906982.db2.gz ZNTLVHKAITXLEJ-KBXCAEBGSA-N 2 1 299.418 3.400 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1[NH3+] ZINC000347059489 218107098 /nfs/dbraw/zinc/10/70/98/218107098.db2.gz XERDJPRNMRBOCX-RHSMWYFYSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1[NH3+] ZINC000347059489 218107101 /nfs/dbraw/zinc/10/71/01/218107101.db2.gz XERDJPRNMRBOCX-RHSMWYFYSA-N 2 1 288.435 3.177 20 0 CGADMP Cc1cnc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000348500747 378970560 /nfs/dbraw/zinc/97/05/60/378970560.db2.gz XHJSLKBPYUVMQI-GFCCVEGCSA-N 2 1 278.425 3.087 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000347103194 218123454 /nfs/dbraw/zinc/12/34/54/218123454.db2.gz MESATLWOOSHQFE-AWEZNQCLSA-N 2 1 272.392 3.091 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000347103194 218123456 /nfs/dbraw/zinc/12/34/56/218123456.db2.gz MESATLWOOSHQFE-AWEZNQCLSA-N 2 1 272.392 3.091 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1Cl ZINC000347227867 218162734 /nfs/dbraw/zinc/16/27/34/218162734.db2.gz WPZGGIMHZGRPGB-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1Cl ZINC000347227867 218162736 /nfs/dbraw/zinc/16/27/36/218162736.db2.gz WPZGGIMHZGRPGB-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000276977513 379035503 /nfs/dbraw/zinc/03/55/03/379035503.db2.gz YPEUTLDDBSSHOV-HNNXBMFYSA-N 2 1 275.440 3.163 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277065577 379058552 /nfs/dbraw/zinc/05/85/52/379058552.db2.gz DJEDKLWSPGNQCS-KRWDZBQOSA-N 2 1 260.425 3.165 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370670549 379049677 /nfs/dbraw/zinc/04/96/77/379049677.db2.gz DRVXAVGPFMJIDJ-FZKCQIBNSA-N 2 1 252.446 3.418 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000639170779 379088792 /nfs/dbraw/zinc/08/87/92/379088792.db2.gz XVJXSHXSURAZRM-RYRKJORJSA-N 2 1 290.451 3.083 20 0 CGADMP Cc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277173428 379089944 /nfs/dbraw/zinc/08/99/44/379089944.db2.gz KVYRZQSIGUGRIK-GOSISDBHSA-N 2 1 274.452 3.344 20 0 CGADMP C[N@@H+](Cc1cccc2ncccc12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161223 379079860 /nfs/dbraw/zinc/07/98/60/379079860.db2.gz AKKDJZSLACGCQK-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2ncccc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161223 379079865 /nfs/dbraw/zinc/07/98/65/379079865.db2.gz AKKDJZSLACGCQK-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2ncccc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161223 379079867 /nfs/dbraw/zinc/07/98/67/379079867.db2.gz AKKDJZSLACGCQK-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000277301023 379124045 /nfs/dbraw/zinc/12/40/45/379124045.db2.gz UFBLCKJBXZFFRC-NVXWUHKLSA-N 2 1 276.399 3.229 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000277301023 379124055 /nfs/dbraw/zinc/12/40/55/379124055.db2.gz UFBLCKJBXZFFRC-NVXWUHKLSA-N 2 1 276.399 3.229 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c2ccccc2n1 ZINC000277262333 379113726 /nfs/dbraw/zinc/11/37/26/379113726.db2.gz RAEKRODMFIFNCJ-QGZVFWFLSA-N 2 1 297.446 3.459 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246331228 804285395 /nfs/dbraw/zinc/28/53/95/804285395.db2.gz MTYMKCJAWVQEOA-OAHLLOKOSA-N 2 1 254.462 3.425 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000277553728 379187277 /nfs/dbraw/zinc/18/72/77/379187277.db2.gz RESJYVOMTNLKHQ-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000349153405 379174302 /nfs/dbraw/zinc/17/43/02/379174302.db2.gz RZRCGTJZNLTECM-ZDUSSCGKSA-N 2 1 282.815 3.097 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](C)CC1CCOCC1 ZINC000349413027 379273125 /nfs/dbraw/zinc/27/31/25/379273125.db2.gz ZTAWYMRTWBOPNB-INIZCTEOSA-N 2 1 284.488 3.103 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC1(F)F ZINC000639322431 379274406 /nfs/dbraw/zinc/27/44/06/379274406.db2.gz SORGQGKODQUUFO-SCRDCRAPSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC1(F)F ZINC000639322431 379274421 /nfs/dbraw/zinc/27/44/21/379274421.db2.gz SORGQGKODQUUFO-SCRDCRAPSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347578305 218280261 /nfs/dbraw/zinc/28/02/61/218280261.db2.gz IWINPGWYQAROGA-UHFFFAOYSA-N 2 1 271.355 3.091 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCC(F)(F)CC1 ZINC000347578305 218280263 /nfs/dbraw/zinc/28/02/63/218280263.db2.gz IWINPGWYQAROGA-UHFFFAOYSA-N 2 1 271.355 3.091 20 0 CGADMP C[C@@H](CC[NH2+]C[C@H]1CCSC1)[N@@H+](C)Cc1ccccc1 ZINC000278319034 379345946 /nfs/dbraw/zinc/34/59/46/379345946.db2.gz DSQVDQWUXIXTCS-DOTOQJQBSA-N 2 1 292.492 3.240 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000639377853 379337570 /nfs/dbraw/zinc/33/75/70/379337570.db2.gz JRGWIKVRDSZGCZ-UHFFFAOYSA-N 2 1 285.435 3.474 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000569172555 322237951 /nfs/dbraw/zinc/23/79/51/322237951.db2.gz ZHCBRPBAEBUBPK-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c1 ZINC000334564180 206724311 /nfs/dbraw/zinc/72/43/11/206724311.db2.gz UOCCMINRBZWTLV-SFHVURJKSA-N 2 1 297.446 3.459 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c1 ZINC000334564180 206724315 /nfs/dbraw/zinc/72/43/15/206724315.db2.gz UOCCMINRBZWTLV-SFHVURJKSA-N 2 1 297.446 3.459 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1C=CCCCCC1 ZINC000569944502 322261305 /nfs/dbraw/zinc/26/13/05/322261305.db2.gz MKDGQEXIOOZJMH-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1C=CCCCCC1 ZINC000569944502 322261306 /nfs/dbraw/zinc/26/13/06/322261306.db2.gz MKDGQEXIOOZJMH-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1C=CCCCCC1 ZINC000569944502 322261308 /nfs/dbraw/zinc/26/13/08/322261308.db2.gz MKDGQEXIOOZJMH-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccsc3Cl)C2)CC1 ZINC000639754733 379569344 /nfs/dbraw/zinc/56/93/44/379569344.db2.gz FAEJFXUOMMZZFJ-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000639983550 379674012 /nfs/dbraw/zinc/67/40/12/379674012.db2.gz IOFAKPRGFDZIKC-QZTJIDSGSA-N 2 1 284.447 3.493 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000639983043 379674840 /nfs/dbraw/zinc/67/48/40/379674840.db2.gz NKWJRUWSKFDHBZ-OAHLLOKOSA-N 2 1 282.497 3.080 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000377803790 379744058 /nfs/dbraw/zinc/74/40/58/379744058.db2.gz ZVKPKVYZNCOJJP-KQTLUZQSSA-N 2 1 275.440 3.317 20 0 CGADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000377801991 379744167 /nfs/dbraw/zinc/74/41/67/379744167.db2.gz DLCXYXUGODNMSX-ZWUHOBOKSA-N 2 1 273.424 3.071 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C1c2ccccc2-c2ccccc21 ZINC000380176480 379862043 /nfs/dbraw/zinc/86/20/43/379862043.db2.gz AGQQJHLCFXIRSW-SJCJKPOMSA-N 2 1 264.372 3.178 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217967 379823909 /nfs/dbraw/zinc/82/39/09/379823909.db2.gz TXTVBBQPCVDNQM-MJEQTWJJSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217967 379823913 /nfs/dbraw/zinc/82/39/13/379823913.db2.gz TXTVBBQPCVDNQM-MJEQTWJJSA-N 2 1 276.399 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000282484775 379930092 /nfs/dbraw/zinc/93/00/92/379930092.db2.gz HIUZFLCLFMFHKJ-YOEHRIQHSA-N 2 1 285.435 3.030 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000387713241 379879208 /nfs/dbraw/zinc/87/92/08/379879208.db2.gz ZGZXJHBBOQPTHS-CJNGLKHVSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000388997626 379891855 /nfs/dbraw/zinc/89/18/55/379891855.db2.gz DNTOSYBCJOYNSI-CQSZACIVSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000282706337 379974212 /nfs/dbraw/zinc/97/42/12/379974212.db2.gz QMXQABKDMAUIIN-HIFRSBDPSA-N 2 1 292.854 3.345 20 0 CGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)cc1 ZINC000352819083 379979612 /nfs/dbraw/zinc/97/96/12/379979612.db2.gz WLJUISVBHOVWOV-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCC4CC4)C3)C2)cc1 ZINC000352819083 379979616 /nfs/dbraw/zinc/97/96/16/379979616.db2.gz WLJUISVBHOVWOV-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCC4CC4)C3)C2)cc1 ZINC000352819083 379979631 /nfs/dbraw/zinc/97/96/31/379979631.db2.gz WLJUISVBHOVWOV-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC000399051988 379934398 /nfs/dbraw/zinc/93/43/98/379934398.db2.gz VTPQPIIVDCOTNZ-LTDKPHRXSA-N 2 1 272.436 3.443 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCCCC3)C[NH2+]1 ZINC000399072090 379934624 /nfs/dbraw/zinc/93/46/24/379934624.db2.gz FIVGYKNPCZODEN-ILXRZTDVSA-N 2 1 250.430 3.220 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)C[NH2+]1 ZINC000399072096 379934991 /nfs/dbraw/zinc/93/49/91/379934991.db2.gz FIVGYKNPCZODEN-RBSFLKMASA-N 2 1 250.430 3.220 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000282551462 379943648 /nfs/dbraw/zinc/94/36/48/379943648.db2.gz CPVXOJJTYYQSSO-CYBMUJFWSA-N 2 1 292.854 3.487 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352766008 379948141 /nfs/dbraw/zinc/94/81/41/379948141.db2.gz UNXMFIRUGWQESO-CHWSQXEVSA-N 2 1 281.469 3.121 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000401767042 379958626 /nfs/dbraw/zinc/95/86/26/379958626.db2.gz GZKRKIWBFRKUJM-UHFFFAOYSA-N 2 1 289.382 3.322 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cc(C(C)(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000641397741 379997417 /nfs/dbraw/zinc/99/74/17/379997417.db2.gz ZRCCGFMNURRIAE-OCCSQVGLSA-N 2 1 261.413 3.274 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cc(C(C)(C)C)cc[nH+]2)CC[N@H+]1C ZINC000641397741 379997422 /nfs/dbraw/zinc/99/74/22/379997422.db2.gz ZRCCGFMNURRIAE-OCCSQVGLSA-N 2 1 261.413 3.274 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(O)c(C)c2)C[C@@H]1C ZINC000347875630 218387320 /nfs/dbraw/zinc/38/73/20/218387320.db2.gz WRJMVYQUZICYGB-DOTOQJQBSA-N 2 1 290.451 3.314 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(O)c(C)c2)C[C@@H]1C ZINC000347875630 218387322 /nfs/dbraw/zinc/38/73/22/218387322.db2.gz WRJMVYQUZICYGB-DOTOQJQBSA-N 2 1 290.451 3.314 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(O)c(C)c2)C[C@@H]1C ZINC000347875630 218387325 /nfs/dbraw/zinc/38/73/25/218387325.db2.gz WRJMVYQUZICYGB-DOTOQJQBSA-N 2 1 290.451 3.314 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000414189192 380199882 /nfs/dbraw/zinc/19/98/82/380199882.db2.gz QQMGOZHOKBBGIP-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccccc1[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643057854 380208803 /nfs/dbraw/zinc/20/88/03/380208803.db2.gz MLYWSGZHMZRJGQ-DOTOQJQBSA-N 2 1 288.435 3.222 20 0 CGADMP Cc1occc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000414417913 380228195 /nfs/dbraw/zinc/22/81/95/380228195.db2.gz YCXWVWFNFFVVOC-WBVHZDCISA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000414417913 380228204 /nfs/dbraw/zinc/22/82/04/380228204.db2.gz YCXWVWFNFFVVOC-WBVHZDCISA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000414417913 380228210 /nfs/dbraw/zinc/22/82/10/380228210.db2.gz YCXWVWFNFFVVOC-WBVHZDCISA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414417913 380228218 /nfs/dbraw/zinc/22/82/18/380228218.db2.gz YCXWVWFNFFVVOC-WBVHZDCISA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414430910 380232102 /nfs/dbraw/zinc/23/21/02/380232102.db2.gz MXSUYTAVHIPKFU-CJNGLKHVSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1occc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000414430910 380232107 /nfs/dbraw/zinc/23/21/07/380232107.db2.gz MXSUYTAVHIPKFU-CJNGLKHVSA-N 2 1 276.424 3.331 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1c[nH+]ccc1N ZINC000643484813 380318493 /nfs/dbraw/zinc/31/84/93/380318493.db2.gz ZGBOJTWTHAWHQQ-LBPRGKRZSA-N 2 1 267.376 3.222 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000643499095 380320726 /nfs/dbraw/zinc/32/07/26/380320726.db2.gz SNPNFBRHQPGTTC-HNNXBMFYSA-N 2 1 252.402 3.346 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)ccc1F ZINC000643522234 380337347 /nfs/dbraw/zinc/33/73/47/380337347.db2.gz KEZYKQZZDDZHJO-XJKSGUPXSA-N 2 1 282.378 3.394 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354031711 380287682 /nfs/dbraw/zinc/28/76/82/380287682.db2.gz NVIKEVBJMWMJLZ-AWEZNQCLSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354031711 380287687 /nfs/dbraw/zinc/28/76/87/380287687.db2.gz NVIKEVBJMWMJLZ-AWEZNQCLSA-N 2 1 263.429 3.340 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521465 380335534 /nfs/dbraw/zinc/33/55/34/380335534.db2.gz JFCFFUVJMKSFGC-YPMHNXCESA-N 2 1 282.815 3.141 20 0 CGADMP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000643467477 380313267 /nfs/dbraw/zinc/31/32/67/380313267.db2.gz KCYZXAVLFUQCTL-MSOLQXFVSA-N 2 1 282.387 3.238 20 0 CGADMP CCSc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000414679451 380369760 /nfs/dbraw/zinc/36/97/60/380369760.db2.gz ZWGLVCQILXQPGS-XIRDDKMYSA-N 2 1 290.476 3.358 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](Cc2ccc(F)cc2F)C2CC2)CC[NH2+]1 ZINC000414682185 380370840 /nfs/dbraw/zinc/37/08/40/380370840.db2.gz XZTQUWKJXXVUBT-STQMWFEESA-N 2 1 294.389 3.317 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2F)C2CC2)CC[NH2+]1 ZINC000414681328 380370937 /nfs/dbraw/zinc/37/09/37/380370937.db2.gz OVPHAZIEQIKSQA-KGLIPLIRSA-N 2 1 276.399 3.178 20 0 CGADMP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414693964 380376075 /nfs/dbraw/zinc/37/60/75/380376075.db2.gz SIQZKZYEEIURPG-IAGOWNOFSA-N 2 1 290.451 3.076 20 0 CGADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414693964 380376078 /nfs/dbraw/zinc/37/60/78/380376078.db2.gz SIQZKZYEEIURPG-IAGOWNOFSA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700007 380379882 /nfs/dbraw/zinc/37/98/82/380379882.db2.gz KBDZUGYFTKEGSK-ANQUJSFKSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cc3ccccc3o2)CC[NH2+]1 ZINC000414703394 380382060 /nfs/dbraw/zinc/38/20/60/380382060.db2.gz JQIYMIXMLFIEEQ-ZIAGYGMSSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+](Cc1cc(Cl)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000414708886 380383235 /nfs/dbraw/zinc/38/32/35/380383235.db2.gz DFCSLKSHOODFBP-AWEZNQCLSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](Cc1cc(Cl)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000414708886 380383240 /nfs/dbraw/zinc/38/32/40/380383240.db2.gz DFCSLKSHOODFBP-AWEZNQCLSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000414716921 380384812 /nfs/dbraw/zinc/38/48/12/380384812.db2.gz PEEQRKRTOXPJQB-KSZLIROESA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000414712539 380384964 /nfs/dbraw/zinc/38/49/64/380384964.db2.gz UOCDRKABOYMZLQ-INIZCTEOSA-N 2 1 282.472 3.031 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000414715282 380385774 /nfs/dbraw/zinc/38/57/74/380385774.db2.gz MUPVPUWKXWQVLT-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000414732176 380389225 /nfs/dbraw/zinc/38/92/25/380389225.db2.gz HZMPXFRPZVFCKK-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414745744 380390470 /nfs/dbraw/zinc/39/04/70/380390470.db2.gz PVVPKCNUOYMJOY-IIDMSEBBSA-N 2 1 290.426 3.177 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414745752 380391144 /nfs/dbraw/zinc/39/11/44/380391144.db2.gz PVVPKCNUOYMJOY-VKJFTORMSA-N 2 1 290.426 3.177 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000643525915 380340607 /nfs/dbraw/zinc/34/06/07/380340607.db2.gz IGHJWYHQOVYGTJ-UFBFGSQYSA-N 2 1 261.196 3.381 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414659880 380356570 /nfs/dbraw/zinc/35/65/70/380356570.db2.gz UHXJJNDINMYIPJ-YTQUADARSA-N 2 1 286.463 3.428 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546890 380361998 /nfs/dbraw/zinc/36/19/98/380361998.db2.gz WHONNPQUOORJGK-GJZGRUSLSA-N 2 1 288.435 3.411 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000414813553 380423646 /nfs/dbraw/zinc/42/36/46/380423646.db2.gz MPENDXHVDCXYTN-UKRRQHHQSA-N 2 1 296.430 3.120 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CCCCC1 ZINC000414855545 380457011 /nfs/dbraw/zinc/45/70/11/380457011.db2.gz WYFPNQJVLSBZEL-IKGGRYGDSA-N 2 1 264.457 3.452 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414813780 380425732 /nfs/dbraw/zinc/42/57/32/380425732.db2.gz UNBWDHLZWCHGSW-UHFFFAOYSA-N 2 1 292.320 3.452 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414819302 380429393 /nfs/dbraw/zinc/42/93/93/380429393.db2.gz YKLBISFZIGJRLM-BBRMVZONSA-N 2 1 266.404 3.254 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCCCC1 ZINC000414836795 380443806 /nfs/dbraw/zinc/44/38/06/380443806.db2.gz GMGBSIWQVNGFFR-UHFFFAOYSA-N 2 1 270.779 3.230 20 0 CGADMP CC[NH2+]CC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414847376 380451493 /nfs/dbraw/zinc/45/14/93/380451493.db2.gz ONVAGCWAJZFXET-UHFFFAOYSA-N 2 1 275.223 3.125 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000414854378 380455295 /nfs/dbraw/zinc/45/52/95/380455295.db2.gz UZAGWEVTIMXBHH-ZDUSSCGKSA-N 2 1 274.330 3.168 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414776811 380398425 /nfs/dbraw/zinc/39/84/25/380398425.db2.gz HTRDNIONMJLONP-ZBFHGGJFSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000414774734 380398922 /nfs/dbraw/zinc/39/89/22/380398922.db2.gz YZAWIQNQRWVMDR-KVPLUYHFSA-N 2 1 298.474 3.428 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782254 380403391 /nfs/dbraw/zinc/40/33/91/380403391.db2.gz ODCTZBDYEORAHH-QRQLOZEOSA-N 2 1 286.463 3.187 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787632 380404454 /nfs/dbraw/zinc/40/44/54/380404454.db2.gz VQSXDMHLIVLDIC-PGHYUYILSA-N 2 1 270.420 3.021 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414797636 380411169 /nfs/dbraw/zinc/41/11/69/380411169.db2.gz BILBZFXCQZEHPB-IRXDYDNUSA-N 2 1 260.425 3.115 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccncc2)c1)C1(C[NH3+])CCC1 ZINC000414797592 380411282 /nfs/dbraw/zinc/41/12/82/380411282.db2.gz YNMLOWCHXYVGJX-UHFFFAOYSA-N 2 1 281.403 3.062 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)C1(C[NH3+])CCC1 ZINC000414797592 380411286 /nfs/dbraw/zinc/41/12/86/380411286.db2.gz YNMLOWCHXYVGJX-UHFFFAOYSA-N 2 1 281.403 3.062 20 0 CGADMP CCCCOc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1OCC ZINC000414809999 380421979 /nfs/dbraw/zinc/42/19/79/380421979.db2.gz WHMPNFKDPRXIMH-UHFFFAOYSA-N 2 1 294.439 3.091 20 0 CGADMP CC1([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414930893 380493551 /nfs/dbraw/zinc/49/35/51/380493551.db2.gz BKWVEGRSJNXYOZ-UHFFFAOYSA-N 2 1 290.304 3.076 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1F ZINC000415032868 380505618 /nfs/dbraw/zinc/50/56/18/380505618.db2.gz BDAGTJYSANHHLS-RDJZCZTQSA-N 2 1 276.399 3.098 20 0 CGADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414861459 380461629 /nfs/dbraw/zinc/46/16/29/380461629.db2.gz FPKXAAGCBAIFEO-IAGOWNOFSA-N 2 1 260.425 3.158 20 0 CGADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CCC(C)(C)C)cc1 ZINC000414877439 380471957 /nfs/dbraw/zinc/47/19/57/380471957.db2.gz FXESEEWWVPXIOL-IAGOWNOFSA-N 2 1 290.451 3.167 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000644893926 380540905 /nfs/dbraw/zinc/54/09/05/380540905.db2.gz AZIUWPNOQDHUJG-CTYIDZIISA-N 2 1 261.413 3.206 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000420296116 380845513 /nfs/dbraw/zinc/84/55/13/380845513.db2.gz DCWUMJYVMBBTKJ-LLVKDONJSA-N 2 1 299.245 3.351 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000356866132 380908935 /nfs/dbraw/zinc/90/89/35/380908935.db2.gz LTFISUZUYLJKGG-LSDHHAIUSA-N 2 1 275.440 3.027 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000357310850 381101008 /nfs/dbraw/zinc/10/10/08/381101008.db2.gz UDUWYDXNDULUMA-ZDUSSCGKSA-N 2 1 281.831 3.212 20 0 CGADMP C(C[N@H+]1CCCC2(CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359214781 381340418 /nfs/dbraw/zinc/34/04/18/381340418.db2.gz HDBCVFNWNUUMEI-UHFFFAOYSA-N 2 1 264.457 3.422 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000360014804 381411158 /nfs/dbraw/zinc/41/11/58/381411158.db2.gz JXIQWSSBIDZXBA-HOCLYGCPSA-N 2 1 299.418 3.338 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362516482 382031298 /nfs/dbraw/zinc/03/12/98/382031298.db2.gz QEYKRLBTGBUMAV-GJZGRUSLSA-N 2 1 284.806 3.442 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ncsc2c1 ZINC000362712907 382104789 /nfs/dbraw/zinc/10/47/89/382104789.db2.gz BYEWHQIEFYTAFR-OBJOEFQTSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ncsc2c1 ZINC000362712907 382104793 /nfs/dbraw/zinc/10/47/93/382104793.db2.gz BYEWHQIEFYTAFR-OBJOEFQTSA-N 2 1 289.448 3.430 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362922058 382148973 /nfs/dbraw/zinc/14/89/73/382148973.db2.gz BALRAZZMZWTYKL-UHFFFAOYSA-N 2 1 277.387 3.129 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558034 382313583 /nfs/dbraw/zinc/31/35/83/382313583.db2.gz PMWWDRHATABNKF-ULQDDVLXSA-N 2 1 262.441 3.006 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cnccc32)[C@@H](C)C1 ZINC000248384616 542334804 /nfs/dbraw/zinc/33/48/04/542334804.db2.gz FNPYCFVEUOHQPK-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cnccc32)[C@@H](C)C1 ZINC000248384616 542334810 /nfs/dbraw/zinc/33/48/10/542334810.db2.gz FNPYCFVEUOHQPK-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cnccc32)[C@@H](C)C1 ZINC000248384616 542334812 /nfs/dbraw/zinc/33/48/12/542334812.db2.gz FNPYCFVEUOHQPK-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2c(C)oc3ccccc32)CC[C@H]1[NH3+] ZINC000251749256 542347706 /nfs/dbraw/zinc/34/77/06/542347706.db2.gz LGZRFDDFMKETSM-XJKSGUPXSA-N 2 1 272.392 3.300 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251023449 542345291 /nfs/dbraw/zinc/34/52/91/542345291.db2.gz WKIXFBTWXUUJKQ-JYJNAYRXSA-N 2 1 288.435 3.281 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251023449 542345293 /nfs/dbraw/zinc/34/52/93/542345293.db2.gz WKIXFBTWXUUJKQ-JYJNAYRXSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417257 542349487 /nfs/dbraw/zinc/34/94/87/542349487.db2.gz QPIVKKDIZWUJEO-UKPHBRMFSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417257 542349490 /nfs/dbraw/zinc/34/94/90/542349490.db2.gz QPIVKKDIZWUJEO-UKPHBRMFSA-N 2 1 276.399 3.351 20 0 CGADMP CC[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@H]1[NH3+] ZINC000252706954 542351235 /nfs/dbraw/zinc/35/12/35/542351235.db2.gz VPFSRPNKKNLYHB-GXTWGEPZSA-N 2 1 268.351 3.183 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1[NH3+] ZINC000252706954 542351238 /nfs/dbraw/zinc/35/12/38/542351238.db2.gz VPFSRPNKKNLYHB-GXTWGEPZSA-N 2 1 268.351 3.183 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413129 296343235 /nfs/dbraw/zinc/34/32/35/296343235.db2.gz ZVHMEDQUSDQQMN-BDXSIMOUSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)c1cccc(O)c1 ZINC000414747840 285034588 /nfs/dbraw/zinc/03/45/88/285034588.db2.gz NETKIOKETLRCMF-SOUVJXGZSA-N 2 1 276.424 3.163 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000424378522 533001576 /nfs/dbraw/zinc/00/15/76/533001576.db2.gz SWORJKZDVHLHAS-LERXQTSPSA-N 2 1 282.428 3.468 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(SC)CC1 ZINC000348967591 218784481 /nfs/dbraw/zinc/78/44/81/218784481.db2.gz QBSMCHOBERZBLM-UHFFFAOYSA-N 2 1 292.492 3.466 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC=CCC2)C[C@H]1C ZINC000353752700 220306759 /nfs/dbraw/zinc/30/67/59/220306759.db2.gz UAMLVUGDYQBMEB-PMPSAXMXSA-N 2 1 250.430 3.147 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC=CCC2)C[C@H]1C ZINC000353752700 220306761 /nfs/dbraw/zinc/30/67/61/220306761.db2.gz UAMLVUGDYQBMEB-PMPSAXMXSA-N 2 1 250.430 3.147 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC=CCC2)C[C@H]1C ZINC000353752700 220306765 /nfs/dbraw/zinc/30/67/65/220306765.db2.gz UAMLVUGDYQBMEB-PMPSAXMXSA-N 2 1 250.430 3.147 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ncc[nH]1 ZINC000285694620 542389273 /nfs/dbraw/zinc/38/92/73/542389273.db2.gz OQEYOKHMGHMGOJ-HNNXBMFYSA-N 2 1 298.434 3.246 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(O)c(C)c2)CC1 ZINC000289229937 197268940 /nfs/dbraw/zinc/26/89/40/197268940.db2.gz YLUINHDUFJJCIG-UHFFFAOYSA-N 2 1 290.451 3.315 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000211141999 572519373 /nfs/dbraw/zinc/51/93/73/572519373.db2.gz ZBZPMNIIYMASJA-LRDDRELGSA-N 2 1 280.843 3.127 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423438628 533177356 /nfs/dbraw/zinc/17/73/56/533177356.db2.gz HCVJYRLVGROYJY-KEYYUXOJSA-N 2 1 278.440 3.498 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Sc1ccccc1 ZINC000339070530 542485517 /nfs/dbraw/zinc/48/55/17/542485517.db2.gz ZKQTXPHIKHYLST-OAGGEKHMSA-N 2 1 290.476 3.384 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000339070682 542486311 /nfs/dbraw/zinc/48/63/11/542486311.db2.gz OAGRAOYZVWZXEO-SQNIBIBYSA-N 2 1 287.451 3.038 20 0 CGADMP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OCC1CCCC1 ZINC000459335541 533356925 /nfs/dbraw/zinc/35/69/25/533356925.db2.gz GTBHOGCWRWEFNA-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OCC1CCCC1 ZINC000459335541 533356927 /nfs/dbraw/zinc/35/69/27/533356927.db2.gz GTBHOGCWRWEFNA-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[C@H]1C ZINC000414075579 533377815 /nfs/dbraw/zinc/37/78/15/533377815.db2.gz PDAAYTRQYAUKCK-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000385657262 542602070 /nfs/dbraw/zinc/60/20/70/542602070.db2.gz ZKHYARBRNQBFAY-GJZGRUSLSA-N 2 1 298.352 3.266 20 0 CGADMP c1ccc([C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000388349427 542605816 /nfs/dbraw/zinc/60/58/16/542605816.db2.gz PLNVDLUGIVYALP-SFHVURJKSA-N 2 1 292.426 3.322 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392269286 542612391 /nfs/dbraw/zinc/61/23/91/542612391.db2.gz JYCYLNIDMXMMRL-GOEBONIOSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000079675984 392221633 /nfs/dbraw/zinc/22/16/33/392221633.db2.gz MDGRTXZFEBZIAF-IPYPFGDCSA-N 2 1 252.446 3.274 20 0 CGADMP C1=CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000092066242 392231008 /nfs/dbraw/zinc/23/10/08/392231008.db2.gz IKGAFDHMGLYAOG-JZXOWHBKSA-N 2 1 274.452 3.291 20 0 CGADMP C1=CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000092066242 392231011 /nfs/dbraw/zinc/23/10/11/392231011.db2.gz IKGAFDHMGLYAOG-JZXOWHBKSA-N 2 1 274.452 3.291 20 0 CGADMP C1=CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000092066242 392231012 /nfs/dbraw/zinc/23/10/12/392231012.db2.gz IKGAFDHMGLYAOG-JZXOWHBKSA-N 2 1 274.452 3.291 20 0 CGADMP Clc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868755 392311996 /nfs/dbraw/zinc/31/19/96/392311996.db2.gz WCMXYBVCBCMJDQ-LSDHHAIUSA-N 2 1 264.800 3.056 20 0 CGADMP Clc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868755 392311997 /nfs/dbraw/zinc/31/19/97/392311997.db2.gz WCMXYBVCBCMJDQ-LSDHHAIUSA-N 2 1 264.800 3.056 20 0 CGADMP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763804 392316770 /nfs/dbraw/zinc/31/67/70/392316770.db2.gz GMTMVFWSUZRAPG-YDHLFZDLSA-N 2 1 293.430 3.025 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763804 392316774 /nfs/dbraw/zinc/31/67/74/392316774.db2.gz GMTMVFWSUZRAPG-YDHLFZDLSA-N 2 1 293.430 3.025 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763804 392316777 /nfs/dbraw/zinc/31/67/77/392316777.db2.gz GMTMVFWSUZRAPG-YDHLFZDLSA-N 2 1 293.430 3.025 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000361895669 392356053 /nfs/dbraw/zinc/35/60/53/392356053.db2.gz ALNKUFSYQGEIJJ-INIZCTEOSA-N 2 1 294.487 3.228 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3sccc3Cl)C2)C1 ZINC000293054596 392518668 /nfs/dbraw/zinc/51/86/68/392518668.db2.gz UFLVZVOTHXZPKK-CQSZACIVSA-N 2 1 284.856 3.319 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000294261995 392535343 /nfs/dbraw/zinc/53/53/43/392535343.db2.gz LKIRNIHECGGIJS-OHDICMOHSA-N 2 1 286.463 3.499 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000647325176 392667990 /nfs/dbraw/zinc/66/79/90/392667990.db2.gz YNCHESANVWFUJV-IEWDOMPSSA-N 2 1 284.447 3.253 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC[N@@H+]1C ZINC000647331319 392675796 /nfs/dbraw/zinc/67/57/96/392675796.db2.gz YJVPONATBUSANO-CZUORRHYSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC[N@H+]1C ZINC000647331319 392675803 /nfs/dbraw/zinc/67/58/03/392675803.db2.gz YJVPONATBUSANO-CZUORRHYSA-N 2 1 276.399 3.277 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647280949 392633757 /nfs/dbraw/zinc/63/37/57/392633757.db2.gz OPXPPRKULWKFBQ-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP C[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482394 392737663 /nfs/dbraw/zinc/73/76/63/392737663.db2.gz BBPCGFHCPYJOAD-CQSZACIVSA-N 2 1 258.409 3.007 20 0 CGADMP C(C1CCCCCC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482902 392737857 /nfs/dbraw/zinc/73/78/57/392737857.db2.gz IABRHZMWMKJPST-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000647487595 392739036 /nfs/dbraw/zinc/73/90/36/392739036.db2.gz QSIPGJRBJCCWPJ-ZDUSSCGKSA-N 2 1 293.480 3.362 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000647487595 392739040 /nfs/dbraw/zinc/73/90/40/392739040.db2.gz QSIPGJRBJCCWPJ-ZDUSSCGKSA-N 2 1 293.480 3.362 20 0 CGADMP CCC[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534951 392756691 /nfs/dbraw/zinc/75/66/91/392756691.db2.gz ZFCXEEUIWJJDIK-KZNAEPCWSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534951 392756696 /nfs/dbraw/zinc/75/66/96/392756696.db2.gz ZFCXEEUIWJJDIK-KZNAEPCWSA-N 2 1 272.436 3.254 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647543583 392759966 /nfs/dbraw/zinc/75/99/66/392759966.db2.gz PUSYNEVHUOEVMQ-UONOGXRCSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543244 392760827 /nfs/dbraw/zinc/76/08/27/392760827.db2.gz JXWKBLRGUXWVKK-WBVHZDCISA-N 2 1 290.426 3.346 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000647545692 392762589 /nfs/dbraw/zinc/76/25/89/392762589.db2.gz DVEYZVGNCQIIJX-SJORKVTESA-N 2 1 284.447 3.386 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000647545750 392762809 /nfs/dbraw/zinc/76/28/09/392762809.db2.gz MCOPOPPGHVGAMF-SJORKVTESA-N 2 1 286.463 3.286 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc2cn1 ZINC000647545717 392762841 /nfs/dbraw/zinc/76/28/41/392762841.db2.gz JQZSESBQSHSSJE-MOPGFXCFSA-N 2 1 295.430 3.056 20 0 CGADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000647937020 392837870 /nfs/dbraw/zinc/83/78/70/392837870.db2.gz PRQRUDKNHAAGOJ-QKPAOTATSA-N 2 1 252.446 3.262 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000186115743 392778190 /nfs/dbraw/zinc/77/81/90/392778190.db2.gz WBTOMKCKPCHCLO-QWHCGFSZSA-N 2 1 282.453 3.139 20 0 CGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCF)C2)CC1 ZINC000375686269 392803069 /nfs/dbraw/zinc/80/30/69/392803069.db2.gz AZMYENWJYKYIQR-MRXNPFEDSA-N 2 1 270.436 3.180 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H]1CCCF)C1CCCC1 ZINC000510667332 392808051 /nfs/dbraw/zinc/80/80/51/392808051.db2.gz GULFSADKBXCJCS-ZBFHGGJFSA-N 2 1 270.436 3.369 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H]1CCCF)C1CCCC1 ZINC000510667332 392808053 /nfs/dbraw/zinc/80/80/53/392808053.db2.gz GULFSADKBXCJCS-ZBFHGGJFSA-N 2 1 270.436 3.369 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(C)c1 ZINC000647815019 392809043 /nfs/dbraw/zinc/80/90/43/392809043.db2.gz LKNWYAPSKVOIPG-UHFFFAOYSA-N 2 1 272.436 3.328 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510734070 392811472 /nfs/dbraw/zinc/81/14/72/392811472.db2.gz MZPRELBYFKSQQY-CYBMUJFWSA-N 2 1 296.405 3.360 20 0 CGADMP C[N@@H+](CCCC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765288 392816702 /nfs/dbraw/zinc/81/67/02/392816702.db2.gz VHFKBSCPZJNNEL-YIONKMFJSA-N 2 1 252.446 3.370 20 0 CGADMP C[NH+](CCCC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765288 392816705 /nfs/dbraw/zinc/81/67/05/392816705.db2.gz VHFKBSCPZJNNEL-YIONKMFJSA-N 2 1 252.446 3.370 20 0 CGADMP C[NH+](CCCC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765288 392816709 /nfs/dbraw/zinc/81/67/09/392816709.db2.gz VHFKBSCPZJNNEL-YIONKMFJSA-N 2 1 252.446 3.370 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647874849 392820767 /nfs/dbraw/zinc/82/07/67/392820767.db2.gz DEPPOQGRBDUSRT-OLZOCXBDSA-N 2 1 278.827 3.475 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647874849 392820773 /nfs/dbraw/zinc/82/07/73/392820773.db2.gz DEPPOQGRBDUSRT-OLZOCXBDSA-N 2 1 278.827 3.475 20 0 CGADMP FC(F)(F)CC[N@@H+](CCCC1CC[NH2+]CC1)CC1CC1 ZINC000647891580 392828863 /nfs/dbraw/zinc/82/88/63/392828863.db2.gz SXMGVAXVLNLJQD-UHFFFAOYSA-N 2 1 292.389 3.431 20 0 CGADMP Cc1ccc(OCCC[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000193821390 392886718 /nfs/dbraw/zinc/88/67/18/392886718.db2.gz BDZXAMSGQPUVNS-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192748993 392860605 /nfs/dbraw/zinc/86/06/05/392860605.db2.gz OBYOIRWXQKVGJJ-CCNLRDMRSA-N 2 1 272.436 3.395 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392282175 392930450 /nfs/dbraw/zinc/93/04/50/392930450.db2.gz RYGWJUIHQRCBLH-JKSUJKDBSA-N 2 1 250.430 3.053 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340169125 392965404 /nfs/dbraw/zinc/96/54/04/392965404.db2.gz ZFANQXIHDLGADN-RBUKOAKNSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340169125 392965407 /nfs/dbraw/zinc/96/54/07/392965407.db2.gz ZFANQXIHDLGADN-RBUKOAKNSA-N 2 1 295.430 3.049 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000195438839 392968266 /nfs/dbraw/zinc/96/82/66/392968266.db2.gz GGMTYAGGNFCVBO-HNNXBMFYSA-N 2 1 280.843 3.470 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340258794 392968597 /nfs/dbraw/zinc/96/85/97/392968597.db2.gz UWZJMWIQUUVADK-KZNAEPCWSA-N 2 1 290.451 3.083 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340258794 392968603 /nfs/dbraw/zinc/96/86/03/392968603.db2.gz UWZJMWIQUUVADK-KZNAEPCWSA-N 2 1 290.451 3.083 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCCN1CC[C@@H](C)c1ccccc1 ZINC000221204632 393008074 /nfs/dbraw/zinc/00/80/74/393008074.db2.gz AYJVUERQBWXVRC-INMHGKMJSA-N 2 1 260.425 3.382 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000648424201 393010660 /nfs/dbraw/zinc/01/06/60/393010660.db2.gz DUNGKIXSAKFQSN-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648438451 393017302 /nfs/dbraw/zinc/01/73/02/393017302.db2.gz KCVZSXRKTPNROH-QFBILLFUSA-N 2 1 286.463 3.256 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]21 ZINC000230046657 393022378 /nfs/dbraw/zinc/02/23/78/393022378.db2.gz BGEFCLNUDYYPEG-OWCLPIDISA-N 2 1 250.430 3.016 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414991139 393083107 /nfs/dbraw/zinc/08/31/07/393083107.db2.gz AKDDSOMRMODPGX-CHWSQXEVSA-N 2 1 262.388 3.036 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415039587 393108353 /nfs/dbraw/zinc/10/83/53/393108353.db2.gz JFGRJBTZZZGUEL-CZUORRHYSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415039587 393108358 /nfs/dbraw/zinc/10/83/58/393108358.db2.gz JFGRJBTZZZGUEL-CZUORRHYSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000415004282 393089885 /nfs/dbraw/zinc/08/98/85/393089885.db2.gz HKPYVESQIXFASU-QWRGUYRKSA-N 2 1 278.396 3.380 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415008445 393091936 /nfs/dbraw/zinc/09/19/36/393091936.db2.gz MOWWEXBYQKOFPZ-HTQZYQBOSA-N 2 1 280.721 3.184 20 0 CGADMP CC(C)N(CC[C@@H]1CCC[N@H+]1C)CC[NH+]1CCCCCC1 ZINC000347378948 393103186 /nfs/dbraw/zinc/10/31/86/393103186.db2.gz RIHVYJSGTCTGHP-SFHVURJKSA-N 2 1 295.515 3.057 20 0 CGADMP Clc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415032358 393104142 /nfs/dbraw/zinc/10/41/42/393104142.db2.gz AEIGHYLJCVRCDE-YPMHNXCESA-N 2 1 284.856 3.366 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415032358 393104146 /nfs/dbraw/zinc/10/41/46/393104146.db2.gz AEIGHYLJCVRCDE-YPMHNXCESA-N 2 1 284.856 3.366 20 0 CGADMP Clc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415032351 393104747 /nfs/dbraw/zinc/10/47/47/393104747.db2.gz AEIGHYLJCVRCDE-AAEUAGOBSA-N 2 1 284.856 3.366 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415032351 393104753 /nfs/dbraw/zinc/10/47/53/393104753.db2.gz AEIGHYLJCVRCDE-AAEUAGOBSA-N 2 1 284.856 3.366 20 0 CGADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414179938 393042275 /nfs/dbraw/zinc/04/22/75/393042275.db2.gz KZMLLZAGXIWXMX-WBVHZDCISA-N 2 1 275.440 3.244 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000245547651 393042740 /nfs/dbraw/zinc/04/27/40/393042740.db2.gz XRUAFYADRIKAJC-WCVJEAGWSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000245547651 393042744 /nfs/dbraw/zinc/04/27/44/393042744.db2.gz XRUAFYADRIKAJC-WCVJEAGWSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000245547651 393042751 /nfs/dbraw/zinc/04/27/51/393042751.db2.gz XRUAFYADRIKAJC-WCVJEAGWSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000245547651 393042755 /nfs/dbraw/zinc/04/27/55/393042755.db2.gz XRUAFYADRIKAJC-WCVJEAGWSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000414194365 393043877 /nfs/dbraw/zinc/04/38/77/393043877.db2.gz VIOBPZXEFRIBLD-NRSFXHEJSA-N 2 1 286.463 3.356 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000414199927 393043967 /nfs/dbraw/zinc/04/39/67/393043967.db2.gz XBVUEVPIVVOKOJ-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700012 393052880 /nfs/dbraw/zinc/05/28/80/393052880.db2.gz KBDZUGYFTKEGSK-JYYAWHABSA-N 2 1 290.426 3.392 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415037652 393106310 /nfs/dbraw/zinc/10/63/10/393106310.db2.gz GZRQIWSKJRDULV-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000414954434 393062646 /nfs/dbraw/zinc/06/26/46/393062646.db2.gz MWPUTMABIJNEEB-ORQFMDKSSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1nc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cs1 ZINC000415050058 393113255 /nfs/dbraw/zinc/11/32/55/393113255.db2.gz IEKPXPHVRTWZSZ-HNNXBMFYSA-N 2 1 275.421 3.021 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251227573 393117343 /nfs/dbraw/zinc/11/73/43/393117343.db2.gz AFEFNSQQJWYTRM-DMDPSCGWSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251227573 393117352 /nfs/dbraw/zinc/11/73/52/393117352.db2.gz AFEFNSQQJWYTRM-DMDPSCGWSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415054476 393117681 /nfs/dbraw/zinc/11/76/81/393117681.db2.gz MCRAQSCVGMWDPZ-GOEBONIOSA-N 2 1 262.441 3.218 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCCCOc1ccccc1 ZINC000415059101 393120371 /nfs/dbraw/zinc/12/03/71/393120371.db2.gz WZCQNASXSCKLNO-INIZCTEOSA-N 2 1 278.440 3.199 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000253193353 393128073 /nfs/dbraw/zinc/12/80/73/393128073.db2.gz OPGPYGYVXJABJN-WCQYABFASA-N 2 1 286.341 3.122 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000253193353 393128078 /nfs/dbraw/zinc/12/80/78/393128078.db2.gz OPGPYGYVXJABJN-WCQYABFASA-N 2 1 286.341 3.122 20 0 CGADMP c1csc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415087060 393138468 /nfs/dbraw/zinc/13/84/68/393138468.db2.gz SZGBIIWQVZHPDL-WBVHZDCISA-N 2 1 286.444 3.374 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138307 393224152 /nfs/dbraw/zinc/22/41/52/393224152.db2.gz BCXMEYYLPJGIJV-MRXNPFEDSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138307 393224157 /nfs/dbraw/zinc/22/41/57/393224157.db2.gz BCXMEYYLPJGIJV-MRXNPFEDSA-N 2 1 261.413 3.236 20 0 CGADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cscn1 ZINC000271132336 393244664 /nfs/dbraw/zinc/24/46/64/393244664.db2.gz MDBWZYTTXNOSGK-LBPRGKRZSA-N 2 1 275.421 3.056 20 0 CGADMP CCC[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000271906531 393255119 /nfs/dbraw/zinc/25/51/19/393255119.db2.gz RIBWTVCPVSQHRG-GOSISDBHSA-N 2 1 272.436 3.422 20 0 CGADMP Cc1nc2ccccn2c1Cn1cc[nH+]c1C(C)C ZINC000355443420 393324552 /nfs/dbraw/zinc/32/45/52/393324552.db2.gz XQOMEEWQVSWWSF-UHFFFAOYSA-N 2 1 254.337 3.011 20 0 CGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000648816903 393263459 /nfs/dbraw/zinc/26/34/59/393263459.db2.gz QCEYEMMRLXAYDE-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP CC(C)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472585248 393336771 /nfs/dbraw/zinc/33/67/71/393336771.db2.gz XDSLCKCLHBCQAR-INIZCTEOSA-N 2 1 252.446 3.229 20 0 CGADMP c1cncc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCC2)c1 ZINC000280269889 393340280 /nfs/dbraw/zinc/34/02/80/393340280.db2.gz KSTALBIEACWIRJ-GOSISDBHSA-N 2 1 285.435 3.139 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000474475045 393341271 /nfs/dbraw/zinc/34/12/71/393341271.db2.gz MJOHIYWDGPMFDI-OKZBNKHCSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CCCC1 ZINC000474710451 393342579 /nfs/dbraw/zinc/34/25/79/393342579.db2.gz PSPFBISOJMDIPW-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CCCC1 ZINC000474710451 393342582 /nfs/dbraw/zinc/34/25/82/393342582.db2.gz PSPFBISOJMDIPW-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000474822036 393351489 /nfs/dbraw/zinc/35/14/89/393351489.db2.gz NPYGTTYDUBKNBB-QSJFSLAZSA-N 2 1 290.451 3.260 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000474822036 393351492 /nfs/dbraw/zinc/35/14/92/393351492.db2.gz NPYGTTYDUBKNBB-QSJFSLAZSA-N 2 1 290.451 3.260 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000417949506 393357810 /nfs/dbraw/zinc/35/78/10/393357810.db2.gz KLIOUWLSIVMCKC-XJKSGUPXSA-N 2 1 299.418 3.399 20 0 CGADMP C(C[N@H+]1CCC[C@H]1C1CCCCC1)C1CC[NH2+]CC1 ZINC000479702161 393433617 /nfs/dbraw/zinc/43/36/17/393433617.db2.gz SHAHIFBHDMVUQG-KRWDZBQOSA-N 2 1 264.457 3.421 20 0 CGADMP C[NH2+]C[C@@H](C)CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000420187369 393434386 /nfs/dbraw/zinc/43/43/86/393434386.db2.gz DGNJUZQPHSLRPA-SECBINFHSA-N 2 1 281.762 3.295 20 0 CGADMP c1cc2[nH+]ccc(NCC[C@@H]3CCC[NH2+]C3)c2s1 ZINC000420196502 393435856 /nfs/dbraw/zinc/43/58/56/393435856.db2.gz LDGBDOQTYRRXRP-NSHDSACASA-N 2 1 261.394 3.098 20 0 CGADMP c1ccc(CCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420392024 393482311 /nfs/dbraw/zinc/48/23/11/393482311.db2.gz IUEWEAQOUOVYTR-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP c1cc(CCC[NH+]2CCC([NH2+]CC3CC3)CC2)cs1 ZINC000420291218 393451684 /nfs/dbraw/zinc/45/16/84/393451684.db2.gz MYISFNHHLKFZDM-UHFFFAOYSA-N 2 1 278.465 3.145 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301507 393456138 /nfs/dbraw/zinc/45/61/38/393456138.db2.gz LHYKBUUNLOXILP-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1cccc(CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420304450 393458027 /nfs/dbraw/zinc/45/80/27/393458027.db2.gz OMSYUYBZMPCRJJ-MRXNPFEDSA-N 2 1 290.426 3.222 20 0 CGADMP C(C[N@H+]1CCSC2(CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420309865 393459168 /nfs/dbraw/zinc/45/91/68/393459168.db2.gz UFKBLXBWCJZZFF-HNNXBMFYSA-N 2 1 282.497 3.128 20 0 CGADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313242 393461249 /nfs/dbraw/zinc/46/12/49/393461249.db2.gz XTXGDKPHDMGVDW-RTBURBONSA-N 2 1 286.463 3.331 20 0 CGADMP c1ccc(Oc2ccccc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420313149 393461730 /nfs/dbraw/zinc/46/17/30/393461730.db2.gz PEPIKOBXJKFMFQ-CALCHBBNSA-N 2 1 294.398 3.130 20 0 CGADMP c1ccc(Oc2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420313149 393461734 /nfs/dbraw/zinc/46/17/34/393461734.db2.gz PEPIKOBXJKFMFQ-CALCHBBNSA-N 2 1 294.398 3.130 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2C(C)(C)C)cc1 ZINC000420312748 393461809 /nfs/dbraw/zinc/46/18/09/393461809.db2.gz XDAQMIKSKIAYNQ-WBVHZDCISA-N 2 1 290.451 3.248 20 0 CGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420317799 393463185 /nfs/dbraw/zinc/46/31/85/393463185.db2.gz OAFNKXKYGHXWBN-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000420316002 393463476 /nfs/dbraw/zinc/46/34/76/393463476.db2.gz MCNILAQNXMDCNB-RDJZCZTQSA-N 2 1 260.425 3.459 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000420316005 393464125 /nfs/dbraw/zinc/46/41/25/393464125.db2.gz MCNILAQNXMDCNB-WBVHZDCISA-N 2 1 260.425 3.459 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000420320409 393466508 /nfs/dbraw/zinc/46/65/08/393466508.db2.gz QEGFIMJUZNXCHZ-GXTWGEPZSA-N 2 1 296.842 3.296 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000420320409 393466515 /nfs/dbraw/zinc/46/65/15/393466515.db2.gz QEGFIMJUZNXCHZ-GXTWGEPZSA-N 2 1 296.842 3.296 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)CC1(OC)CCC1)[NH+](C)C ZINC000429524548 393473411 /nfs/dbraw/zinc/47/34/11/393473411.db2.gz XFZRXDPMTDUXPD-HOCLYGCPSA-N 2 1 284.488 3.290 20 0 CGADMP CCc1cccc(OCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429541066 393474927 /nfs/dbraw/zinc/47/49/27/393474927.db2.gz YRWANOWXZAZHPX-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP CCc1cccc(OCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429541066 393474931 /nfs/dbraw/zinc/47/49/31/393474931.db2.gz YRWANOWXZAZHPX-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420367786 393476929 /nfs/dbraw/zinc/47/69/29/393476929.db2.gz WDHJHIJNHZMSAN-PBHICJAKSA-N 2 1 278.415 3.454 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](c2ccccc2)C1 ZINC000647248509 393410491 /nfs/dbraw/zinc/41/04/91/393410491.db2.gz DOOWWKQUWJSWNB-SJORKVTESA-N 2 1 286.444 3.183 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(F)cc1F ZINC000420409738 393484723 /nfs/dbraw/zinc/48/47/23/393484723.db2.gz QRBUSAKYXUEQLA-CQSZACIVSA-N 2 1 256.340 3.005 20 0 CGADMP c1cc(CCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420404361 393485074 /nfs/dbraw/zinc/48/50/74/393485074.db2.gz RYIYLGVYYWXFPK-CVEARBPZSA-N 2 1 278.465 3.145 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000430226782 393543253 /nfs/dbraw/zinc/54/32/53/393543253.db2.gz PPJMVLXCXRWKIO-KXBFYZLASA-N 2 1 286.463 3.480 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000430226782 393543257 /nfs/dbraw/zinc/54/32/57/393543257.db2.gz PPJMVLXCXRWKIO-KXBFYZLASA-N 2 1 286.463 3.480 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCCC3)CC[NH+]1C ZINC000430226782 393543258 /nfs/dbraw/zinc/54/32/58/393543258.db2.gz PPJMVLXCXRWKIO-KXBFYZLASA-N 2 1 286.463 3.480 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCCC3)CC[NH+]1C ZINC000430226782 393543261 /nfs/dbraw/zinc/54/32/61/393543261.db2.gz PPJMVLXCXRWKIO-KXBFYZLASA-N 2 1 286.463 3.480 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000488416060 393504545 /nfs/dbraw/zinc/50/45/45/393504545.db2.gz ULWUHHZGYPZJGT-WMLDXEAASA-N 2 1 260.425 3.272 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430125663 393526455 /nfs/dbraw/zinc/52/64/55/393526455.db2.gz CLQMYPYAVVESJI-IEBWSBKVSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430125663 393526458 /nfs/dbraw/zinc/52/64/58/393526458.db2.gz CLQMYPYAVVESJI-IEBWSBKVSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430125663 393526462 /nfs/dbraw/zinc/52/64/62/393526462.db2.gz CLQMYPYAVVESJI-IEBWSBKVSA-N 2 1 286.463 3.283 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430161275 393532228 /nfs/dbraw/zinc/53/22/28/393532228.db2.gz HSHQOOXNQAVTFB-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430161275 393532233 /nfs/dbraw/zinc/53/22/33/393532233.db2.gz HSHQOOXNQAVTFB-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430161275 393532235 /nfs/dbraw/zinc/53/22/35/393532235.db2.gz HSHQOOXNQAVTFB-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430161275 393532240 /nfs/dbraw/zinc/53/22/40/393532240.db2.gz HSHQOOXNQAVTFB-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCOC1 ZINC000359950723 393558695 /nfs/dbraw/zinc/55/86/95/393558695.db2.gz UEFMYAQYVXTLIX-IKGGRYGDSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1c[nH+]ccc1N ZINC000643484812 542790301 /nfs/dbraw/zinc/79/03/01/542790301.db2.gz ZGBOJTWTHAWHQQ-GFCCVEGCSA-N 2 1 267.376 3.222 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420957943 393557253 /nfs/dbraw/zinc/55/72/53/393557253.db2.gz BLSNIPWHHJBKGU-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420957943 393557257 /nfs/dbraw/zinc/55/72/57/393557257.db2.gz BLSNIPWHHJBKGU-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430560831 393574486 /nfs/dbraw/zinc/57/44/86/393574486.db2.gz XNSPAKDMGIMAQS-CHWSQXEVSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568606 393576522 /nfs/dbraw/zinc/57/65/22/393576522.db2.gz HRGZGBHHYYEOFK-BEFAXECRSA-N 2 1 282.431 3.442 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666770296 542814340 /nfs/dbraw/zinc/81/43/40/542814340.db2.gz RTOSOYRCWPWQOW-NVXWUHKLSA-N 2 1 260.425 3.048 20 0 CGADMP Fc1cc(-c2ccncc2)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856607 542820890 /nfs/dbraw/zinc/82/08/90/542820890.db2.gz TYYCNWDAXCTHNE-KRWDZBQOSA-N 2 1 299.393 3.119 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]CCSCc1ccccc1 ZINC000430760043 393594256 /nfs/dbraw/zinc/59/42/56/393594256.db2.gz IDMJSRBNBBXSHK-UHFFFAOYSA-N 2 1 280.481 3.240 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421336290 393605272 /nfs/dbraw/zinc/60/52/72/393605272.db2.gz VYZCWCMHPZPFLI-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430601429 393580669 /nfs/dbraw/zinc/58/06/69/393580669.db2.gz UEEVABDVLBNZIW-XJKSGUPXSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430601429 393580679 /nfs/dbraw/zinc/58/06/79/393580679.db2.gz UEEVABDVLBNZIW-XJKSGUPXSA-N 2 1 299.418 3.209 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430620126 393582659 /nfs/dbraw/zinc/58/26/59/393582659.db2.gz HHDBYAMSPYIAPN-QGZVFWFLSA-N 2 1 282.431 3.314 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCCO1 ZINC000432416118 393611063 /nfs/dbraw/zinc/61/10/63/393611063.db2.gz FWDWJQXADNJYIB-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCCO1 ZINC000432416118 393611066 /nfs/dbraw/zinc/61/10/66/393611066.db2.gz FWDWJQXADNJYIB-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000361133067 393680526 /nfs/dbraw/zinc/68/05/26/393680526.db2.gz UQUDBMYNMYKODX-GOEBONIOSA-N 2 1 275.440 3.169 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000361133067 393680530 /nfs/dbraw/zinc/68/05/30/393680530.db2.gz UQUDBMYNMYKODX-GOEBONIOSA-N 2 1 275.440 3.169 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)CCCO1 ZINC000432420811 393612858 /nfs/dbraw/zinc/61/28/58/393612858.db2.gz MUYUUYXNCOBKRX-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000490013120 393625408 /nfs/dbraw/zinc/62/54/08/393625408.db2.gz LROWEAZRVLHAER-AEFFLSMTSA-N 2 1 272.436 3.256 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000361016630 393643265 /nfs/dbraw/zinc/64/32/65/393643265.db2.gz BUJFVAZSPXUAHE-HNNXBMFYSA-N 2 1 299.418 3.255 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000361016630 393643267 /nfs/dbraw/zinc/64/32/67/393643267.db2.gz BUJFVAZSPXUAHE-HNNXBMFYSA-N 2 1 299.418 3.255 20 0 CGADMP c1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000490577590 393645888 /nfs/dbraw/zinc/64/58/88/393645888.db2.gz GTLOULSKHUBIKX-MRXNPFEDSA-N 2 1 284.447 3.139 20 0 CGADMP C[C@@H]1CC[C@@H](C)N1[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000432833427 393648032 /nfs/dbraw/zinc/64/80/32/393648032.db2.gz WPYVZDIHEKCIQC-JFIYKMOQSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1F ZINC000423028067 393649310 /nfs/dbraw/zinc/64/93/10/393649310.db2.gz FSKULPLHSRVBNT-MEBBXXQBSA-N 2 1 284.806 3.374 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[NH2+]C1 ZINC000423149079 393651912 /nfs/dbraw/zinc/65/19/12/393651912.db2.gz AIWZBFYCQDSXCC-XHVZSJERSA-N 2 1 298.352 3.069 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423258105 393656443 /nfs/dbraw/zinc/65/64/43/393656443.db2.gz AZTCKLQILHATLL-DZGCQCFKSA-N 2 1 266.816 3.290 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423273864 393657107 /nfs/dbraw/zinc/65/71/07/393657107.db2.gz KZXVCVUGGYMGKX-LYRGGWFBSA-N 2 1 264.388 3.022 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C[NH3+])C1CC1)CCS2 ZINC000423267284 393657358 /nfs/dbraw/zinc/65/73/58/393657358.db2.gz CTQHFFXHHNGGDL-CABCVRRESA-N 2 1 276.449 3.167 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423285446 393659368 /nfs/dbraw/zinc/65/93/68/393659368.db2.gz YCAGAEDDPNHVCL-LRDDRELGSA-N 2 1 260.425 3.372 20 0 CGADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423361170 393664244 /nfs/dbraw/zinc/66/42/44/393664244.db2.gz MDRNTLWJOKQVGU-SJHCENCUSA-N 2 1 298.883 3.481 20 0 CGADMP CC(C)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cc2ccccc2o1 ZINC000423452455 393667771 /nfs/dbraw/zinc/66/77/71/393667771.db2.gz WJMHSFHWKMENQK-OZVIIMIRSA-N 2 1 260.381 3.455 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1 ZINC000423445585 393667895 /nfs/dbraw/zinc/66/78/95/393667895.db2.gz YDKLBFXDCKUMDY-BARDWOONSA-N 2 1 298.352 3.210 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000423459796 393668422 /nfs/dbraw/zinc/66/84/22/393668422.db2.gz IKALZQOTKYHTCT-JSGCOSHPSA-N 2 1 264.438 3.167 20 0 CGADMP Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000443497021 393759547 /nfs/dbraw/zinc/75/95/47/393759547.db2.gz CDUGVTPIWXBBBM-OLZOCXBDSA-N 2 1 287.382 3.211 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000502439881 393875674 /nfs/dbraw/zinc/87/56/74/393875674.db2.gz CKRJQJWMBVEVOV-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000502439881 393875679 /nfs/dbraw/zinc/87/56/79/393875679.db2.gz CKRJQJWMBVEVOV-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC12CCC2)C1CCCCC1 ZINC000502709246 393882975 /nfs/dbraw/zinc/88/29/75/393882975.db2.gz UVUHOUKYDYIYMA-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000502867818 393885485 /nfs/dbraw/zinc/88/54/85/393885485.db2.gz ORYGZKXERVKWLW-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502867818 393885489 /nfs/dbraw/zinc/88/54/89/393885489.db2.gz ORYGZKXERVKWLW-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000502867818 393885492 /nfs/dbraw/zinc/88/54/92/393885492.db2.gz ORYGZKXERVKWLW-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP Clc1ccsc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995180 542832544 /nfs/dbraw/zinc/83/25/44/542832544.db2.gz FLOQVGWTKFXYCO-JTQLQIEISA-N 2 1 270.829 3.166 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666996896 542834023 /nfs/dbraw/zinc/83/40/23/542834023.db2.gz KUGIKLWRBVFATC-LBPRGKRZSA-N 2 1 282.790 3.243 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555350 394016494 /nfs/dbraw/zinc/01/64/94/394016494.db2.gz AQXQUBODERRPOP-GOEBONIOSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555350 394016497 /nfs/dbraw/zinc/01/64/97/394016497.db2.gz AQXQUBODERRPOP-GOEBONIOSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555350 394016500 /nfs/dbraw/zinc/01/65/00/394016500.db2.gz AQXQUBODERRPOP-GOEBONIOSA-N 2 1 250.430 3.149 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H](C)CCCc1cccnc1)C(C)C ZINC000453093536 394168853 /nfs/dbraw/zinc/16/88/53/394168853.db2.gz NGSFUIMPCUXBPB-INIZCTEOSA-N 2 1 277.456 3.113 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H](C)CCCc1cccnc1)C(C)C ZINC000453093536 394168855 /nfs/dbraw/zinc/16/88/55/394168855.db2.gz NGSFUIMPCUXBPB-INIZCTEOSA-N 2 1 277.456 3.113 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000453602548 394255757 /nfs/dbraw/zinc/25/57/57/394255757.db2.gz WTVBDSHMZKIYIN-UHFFFAOYSA-N 2 1 298.377 3.252 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000453245140 394217699 /nfs/dbraw/zinc/21/76/99/394217699.db2.gz HYKJMCSEBDWMGK-FQXVJMBOSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000453245140 394217702 /nfs/dbraw/zinc/21/77/02/394217702.db2.gz HYKJMCSEBDWMGK-FQXVJMBOSA-N 2 1 290.426 3.377 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453250146 394219776 /nfs/dbraw/zinc/21/97/76/394219776.db2.gz KNTKHGRJPTUJAK-CVEARBPZSA-N 2 1 277.456 3.111 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453250146 394219778 /nfs/dbraw/zinc/21/97/78/394219778.db2.gz KNTKHGRJPTUJAK-CVEARBPZSA-N 2 1 277.456 3.111 20 0 CGADMP Cc1ncc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)n1C ZINC000667496826 542877416 /nfs/dbraw/zinc/87/74/16/542877416.db2.gz GNQUFLSGTHDDPR-MRXNPFEDSA-N 2 1 287.432 3.019 20 0 CGADMP Cc1ncc(C[N@H+]2CCSC[C@@H]2c2ccccc2)n1C ZINC000667496826 542877420 /nfs/dbraw/zinc/87/74/20/542877420.db2.gz GNQUFLSGTHDDPR-MRXNPFEDSA-N 2 1 287.432 3.019 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)COC2 ZINC000453408186 394236753 /nfs/dbraw/zinc/23/67/53/394236753.db2.gz SKHRUSAHHJSNNK-AWEZNQCLSA-N 2 1 288.435 3.242 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000453595027 394253316 /nfs/dbraw/zinc/25/33/16/394253316.db2.gz JVJDVPYAUQSADV-JXMROGBWSA-N 2 1 258.409 3.164 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000453594995 394253404 /nfs/dbraw/zinc/25/34/04/394253404.db2.gz JIJPBRHDEMOFRO-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)CC3CC[NH+](C)CC3)[nH]c2c1 ZINC000667597536 542896412 /nfs/dbraw/zinc/89/64/12/542896412.db2.gz QNCWBMVQEHAHEC-UHFFFAOYSA-N 2 1 285.435 3.250 20 0 CGADMP CCC1(CC)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667621833 542899331 /nfs/dbraw/zinc/89/93/31/542899331.db2.gz XOVPFZXJUUVMIE-UHFFFAOYSA-N 2 1 284.407 3.279 20 0 CGADMP CCC1(CC)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667621833 542899335 /nfs/dbraw/zinc/89/93/35/542899335.db2.gz XOVPFZXJUUVMIE-UHFFFAOYSA-N 2 1 284.407 3.279 20 0 CGADMP CCc1cccc2cc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)oc21 ZINC000667629057 542900537 /nfs/dbraw/zinc/90/05/37/542900537.db2.gz YYIHDANEVMPRIW-CQSZACIVSA-N 2 1 286.419 3.379 20 0 CGADMP CCc1cccc2cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)oc21 ZINC000667629057 542900539 /nfs/dbraw/zinc/90/05/39/542900539.db2.gz YYIHDANEVMPRIW-CQSZACIVSA-N 2 1 286.419 3.379 20 0 CGADMP Cc1nc2c(s1)[C@H](N(C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667630066 542900721 /nfs/dbraw/zinc/90/07/21/542900721.db2.gz WAPNERPWZDOINO-CQSZACIVSA-N 2 1 290.436 3.003 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cnc(C)n1C)[C@H]2C ZINC000667963041 542950207 /nfs/dbraw/zinc/95/02/07/542950207.db2.gz AERFQOJNNBAKJS-STQMWFEESA-N 2 1 299.418 3.245 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)N(Cc1cnc(C)n1C)[C@H]2C ZINC000667963041 542950211 /nfs/dbraw/zinc/95/02/11/542950211.db2.gz AERFQOJNNBAKJS-STQMWFEESA-N 2 1 299.418 3.245 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC1(C)C ZINC000669419993 543104591 /nfs/dbraw/zinc/10/45/91/543104591.db2.gz ABGJVDPQELCSAT-MCIONIFRSA-N 2 1 261.413 3.002 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153793 543141969 /nfs/dbraw/zinc/14/19/69/543141969.db2.gz NAWFAFSBTXZPBM-SZMVWBNQSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000674049756 543265739 /nfs/dbraw/zinc/26/57/39/543265739.db2.gz ZBAZWFWZVJJFJF-CRAIPNDOSA-N 2 1 294.483 3.188 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408281 397608470 /nfs/dbraw/zinc/60/84/70/397608470.db2.gz XZBUBGXDVUQEOL-MRXNPFEDSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCc2ccc(F)cc21 ZINC000649894854 397746546 /nfs/dbraw/zinc/74/65/46/397746546.db2.gz WOIWOXYSDVKJIV-RHSMWYFYSA-N 2 1 290.426 3.272 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCc2ccc(F)cc21 ZINC000649894854 397746552 /nfs/dbraw/zinc/74/65/52/397746552.db2.gz WOIWOXYSDVKJIV-RHSMWYFYSA-N 2 1 290.426 3.272 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCc2ccc(F)cc21 ZINC000649894854 397746554 /nfs/dbraw/zinc/74/65/54/397746554.db2.gz WOIWOXYSDVKJIV-RHSMWYFYSA-N 2 1 290.426 3.272 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCC1 ZINC000429432344 292126065 /nfs/dbraw/zinc/12/60/65/292126065.db2.gz UQMYXADJBPWGFB-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCCC1 ZINC000675748563 543360637 /nfs/dbraw/zinc/36/06/37/543360637.db2.gz AAHWPTABWZBUBH-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000675883479 543369981 /nfs/dbraw/zinc/36/99/81/543369981.db2.gz CGMCIGHVUVXMJE-ULQDDVLXSA-N 2 1 298.515 3.395 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000676044905 543379062 /nfs/dbraw/zinc/37/90/62/543379062.db2.gz HQJWMTOEMUEKGU-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678277741 543509878 /nfs/dbraw/zinc/50/98/78/543509878.db2.gz ZEWBUEFCDGAVBV-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678277741 543509882 /nfs/dbraw/zinc/50/98/82/543509882.db2.gz ZEWBUEFCDGAVBV-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP CC(C)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678335951 543515829 /nfs/dbraw/zinc/51/58/29/543515829.db2.gz QBPGZNXGFFOVEB-KRWDZBQOSA-N 2 1 290.451 3.105 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(C)n1 ZINC000678411227 543520448 /nfs/dbraw/zinc/52/04/48/543520448.db2.gz JDMHHPZLTKRFDE-MRXNPFEDSA-N 2 1 289.467 3.469 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCCC1 ZINC000368617419 292307932 /nfs/dbraw/zinc/30/79/32/292307932.db2.gz HFXOLXAUQGVAFW-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534175 533678138 /nfs/dbraw/zinc/67/81/38/533678138.db2.gz VJPVTMCKRGJGMJ-FFZOFVMBSA-N 2 1 294.442 3.353 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183184162 287052268 /nfs/dbraw/zinc/05/22/68/287052268.db2.gz OPPLLRFPRDQTMF-ZMSDIMECSA-N 2 1 287.451 3.385 20 0 CGADMP Cc1c[nH+]ccc1NCCC[N@H+](C)C1CCCCC1 ZINC000070489546 165061990 /nfs/dbraw/zinc/06/19/90/165061990.db2.gz IWXZPVPKXAVLAY-UHFFFAOYSA-N 2 1 261.413 3.457 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000071116916 165069796 /nfs/dbraw/zinc/06/97/96/165069796.db2.gz VDKFNOUQLWBCBU-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000086255033 165181070 /nfs/dbraw/zinc/18/10/70/165181070.db2.gz WFMDPNHQWRLGKT-GOEBONIOSA-N 2 1 289.448 3.249 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000086255033 165181074 /nfs/dbraw/zinc/18/10/74/165181074.db2.gz WFMDPNHQWRLGKT-GOEBONIOSA-N 2 1 289.448 3.249 20 0 CGADMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1Cl ZINC000090468969 165236778 /nfs/dbraw/zinc/23/67/78/165236778.db2.gz XEGXUMWIIHOYCX-JMSVASOKSA-N 2 1 296.842 3.167 20 0 CGADMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1Cl ZINC000090468969 165236780 /nfs/dbraw/zinc/23/67/80/165236780.db2.gz XEGXUMWIIHOYCX-JMSVASOKSA-N 2 1 296.842 3.167 20 0 CGADMP c1csc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683486 165336203 /nfs/dbraw/zinc/33/62/03/165336203.db2.gz PMLORPRUCQISDD-AWEZNQCLSA-N 2 1 264.438 3.056 20 0 CGADMP c1csc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683486 165336204 /nfs/dbraw/zinc/33/62/04/165336204.db2.gz PMLORPRUCQISDD-AWEZNQCLSA-N 2 1 264.438 3.056 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[NH+]1CCCC1 ZINC000094422857 165349706 /nfs/dbraw/zinc/34/97/06/165349706.db2.gz MBGINQKWESJCIW-LSDHHAIUSA-N 2 1 282.472 3.043 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000177978396 165620817 /nfs/dbraw/zinc/62/08/17/165620817.db2.gz RUOKJJINIRUYSB-DLBZAZTESA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349940 287141371 /nfs/dbraw/zinc/14/13/71/287141371.db2.gz FHGLZXNOFDQJHV-DCGLDWPTSA-N 2 1 254.377 3.322 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349940 287141374 /nfs/dbraw/zinc/14/13/74/287141374.db2.gz FHGLZXNOFDQJHV-DCGLDWPTSA-N 2 1 254.377 3.322 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119717508 287173167 /nfs/dbraw/zinc/17/31/67/287173167.db2.gz ASSHVALSAHMHEY-CQSZACIVSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccc(C)c(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123297151 287218311 /nfs/dbraw/zinc/21/83/11/287218311.db2.gz FJIIOXPIKPIRSV-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123297151 287218314 /nfs/dbraw/zinc/21/83/14/287218314.db2.gz FJIIOXPIKPIRSV-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123297151 287218318 /nfs/dbraw/zinc/21/83/18/287218318.db2.gz FJIIOXPIKPIRSV-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123297151 287218321 /nfs/dbraw/zinc/21/83/21/287218321.db2.gz FJIIOXPIKPIRSV-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000284211271 196003453 /nfs/dbraw/zinc/00/34/53/196003453.db2.gz GWHDATAWSJUIPJ-ZWKOTPCHSA-N 2 1 286.463 3.329 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020128976 171016643 /nfs/dbraw/zinc/01/66/43/171016643.db2.gz BGOWXVFBTTYMMS-UHFFFAOYSA-N 2 1 286.341 3.281 20 0 CGADMP CSc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285577776 196333485 /nfs/dbraw/zinc/33/34/85/196333485.db2.gz TTWRQYMJOZTZAX-XYPWUTKMSA-N 2 1 290.476 3.466 20 0 CGADMP CSc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285577776 196333487 /nfs/dbraw/zinc/33/34/87/196333487.db2.gz TTWRQYMJOZTZAX-XYPWUTKMSA-N 2 1 290.476 3.466 20 0 CGADMP CSc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285577776 196333488 /nfs/dbraw/zinc/33/34/88/196333488.db2.gz TTWRQYMJOZTZAX-XYPWUTKMSA-N 2 1 290.476 3.466 20 0 CGADMP CCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515588 173247074 /nfs/dbraw/zinc/24/70/74/173247074.db2.gz RUNSLMIRSVIEKH-INIZCTEOSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000037538994 173258853 /nfs/dbraw/zinc/25/88/53/173258853.db2.gz KAKRQPQAIUPJMK-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000037538994 173258855 /nfs/dbraw/zinc/25/88/55/173258855.db2.gz KAKRQPQAIUPJMK-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP CCC[N@@H+](C/C=C/c1ccccc1)C1CC[NH2+]CC1 ZINC000037539195 173260005 /nfs/dbraw/zinc/26/00/05/173260005.db2.gz IIIIVXYBMYKXMW-RMKNXTFCSA-N 2 1 258.409 3.164 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)o1 ZINC000038041618 174043531 /nfs/dbraw/zinc/04/35/31/174043531.db2.gz ILXHWEITZRZZDQ-ZFWWWQNUSA-N 2 1 264.413 3.361 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000040500777 174297095 /nfs/dbraw/zinc/29/70/95/174297095.db2.gz IXGHRZMGPIVCCC-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746478 174391492 /nfs/dbraw/zinc/39/14/92/174391492.db2.gz WHBHCUVPNBHWGH-SJPCQFCGSA-N 2 1 288.435 3.189 20 0 CGADMP Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c2ccccc2[nH+]1 ZINC000044537999 175200300 /nfs/dbraw/zinc/20/03/00/175200300.db2.gz KXWLHKGLPKFNSS-CQSZACIVSA-N 2 1 269.392 3.297 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)[C@H]1CC[NH3+] ZINC000404291861 416552344 /nfs/dbraw/zinc/55/23/44/416552344.db2.gz LMSAZWNOVNYGET-PWSUYJOCSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)[C@H]1CC[NH3+] ZINC000404291861 416552348 /nfs/dbraw/zinc/55/23/48/416552348.db2.gz LMSAZWNOVNYGET-PWSUYJOCSA-N 2 1 272.845 3.351 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358791 416492200 /nfs/dbraw/zinc/49/22/00/416492200.db2.gz KMNGYWNMUSCQMK-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)nc3ccccc23)CC[C@@H]1[NH3+] ZINC000134105482 416517018 /nfs/dbraw/zinc/51/70/18/416517018.db2.gz UWDBASZRZHDSRS-PBHICJAKSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCc3ccccc32)CC[N@@H+]1C ZINC000679043776 543586262 /nfs/dbraw/zinc/58/62/62/543586262.db2.gz KHSUCFPKCLVLOM-HFTRVMKXSA-N 2 1 272.436 3.310 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCc3ccccc32)CC[N@H+]1C ZINC000679043776 543586264 /nfs/dbraw/zinc/58/62/64/543586264.db2.gz KHSUCFPKCLVLOM-HFTRVMKXSA-N 2 1 272.436 3.310 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000129561151 287334679 /nfs/dbraw/zinc/33/46/79/287334679.db2.gz WHSCFQPLKWMPLC-HZSPNIEDSA-N 2 1 292.389 3.429 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130178754 287346521 /nfs/dbraw/zinc/34/65/21/287346521.db2.gz LREJPAPLFXKBRC-OWCLPIDISA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130178754 287346524 /nfs/dbraw/zinc/34/65/24/287346524.db2.gz LREJPAPLFXKBRC-OWCLPIDISA-N 2 1 288.435 3.281 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076660 543823291 /nfs/dbraw/zinc/82/32/91/543823291.db2.gz VIYZYURWHQWUIO-PBHICJAKSA-N 2 1 285.435 3.473 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076660 543823294 /nfs/dbraw/zinc/82/32/94/543823294.db2.gz VIYZYURWHQWUIO-PBHICJAKSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076660 543823298 /nfs/dbraw/zinc/82/32/98/543823298.db2.gz VIYZYURWHQWUIO-PBHICJAKSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076660 543823300 /nfs/dbraw/zinc/82/33/00/543823300.db2.gz VIYZYURWHQWUIO-PBHICJAKSA-N 2 1 285.435 3.473 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 ZINC000682375714 543837763 /nfs/dbraw/zinc/83/77/63/543837763.db2.gz MLADNOLBOGJIRM-VQHPVUNQSA-N 2 1 266.473 3.379 20 0 CGADMP CC[NH+]1CCC(Nc2cccc3cc[nH+]cc32)CC1 ZINC000131070240 287370007 /nfs/dbraw/zinc/37/00/07/287370007.db2.gz AIBWEPKWCNWBKT-UHFFFAOYSA-N 2 1 255.365 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccc(F)c2)CC[N@H+]1C ZINC000131479904 287381476 /nfs/dbraw/zinc/38/14/76/287381476.db2.gz NZALAVYGNAUTIT-CJNGLKHVSA-N 2 1 278.415 3.176 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832431 543946339 /nfs/dbraw/zinc/94/63/39/543946339.db2.gz SSYHNNMMFWQECL-MOPGFXCFSA-N 2 1 295.430 3.151 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683831384 543946477 /nfs/dbraw/zinc/94/64/77/543946477.db2.gz VFKGADDKHCOYMI-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000684373216 543987633 /nfs/dbraw/zinc/98/76/33/543987633.db2.gz SNQOBANLUQNZHP-YYIAUSFCSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2cnccc21 ZINC000685462124 544074294 /nfs/dbraw/zinc/07/42/94/544074294.db2.gz DVNKUWHLVOZIJN-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2cnccc21 ZINC000685462124 544074296 /nfs/dbraw/zinc/07/42/96/544074296.db2.gz DVNKUWHLVOZIJN-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000685470687 544077111 /nfs/dbraw/zinc/07/71/11/544077111.db2.gz IAGQAKJQWMLTSR-WCXIOVBPSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000685470687 544077113 /nfs/dbraw/zinc/07/71/13/544077113.db2.gz IAGQAKJQWMLTSR-WCXIOVBPSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470687 544077116 /nfs/dbraw/zinc/07/71/16/544077116.db2.gz IAGQAKJQWMLTSR-WCXIOVBPSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2C2CC2)C1 ZINC000685471130 544078504 /nfs/dbraw/zinc/07/85/04/544078504.db2.gz OENQQBFXLXFPFV-HKUYNNGSSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471130 544078506 /nfs/dbraw/zinc/07/85/06/544078506.db2.gz OENQQBFXLXFPFV-HKUYNNGSSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471130 544078508 /nfs/dbraw/zinc/07/85/08/544078508.db2.gz OENQQBFXLXFPFV-HKUYNNGSSA-N 2 1 284.447 3.480 20 0 CGADMP Cc1ccncc1CCC[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000347965752 226390566 /nfs/dbraw/zinc/39/05/66/226390566.db2.gz RYYUKDATOSHKRC-UHFFFAOYSA-N 2 1 289.467 3.177 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)C2 ZINC000685838123 544100583 /nfs/dbraw/zinc/10/05/83/544100583.db2.gz NKMMVIARRLGQKL-KRWDZBQOSA-N 2 1 298.474 3.209 20 0 CGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000685909875 544107180 /nfs/dbraw/zinc/10/71/80/544107180.db2.gz IJBPZQPPFBQRHO-YPMHNXCESA-N 2 1 285.366 3.411 20 0 CGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000685909875 544107181 /nfs/dbraw/zinc/10/71/81/544107181.db2.gz IJBPZQPPFBQRHO-YPMHNXCESA-N 2 1 285.366 3.411 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000652353441 418956741 /nfs/dbraw/zinc/95/67/41/418956741.db2.gz JDJYVNOWAJAWIE-UONOGXRCSA-N 2 1 292.854 3.301 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659975452 419049775 /nfs/dbraw/zinc/04/97/75/419049775.db2.gz LOOXXPABHIBOIR-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCCCC2)CC1 ZINC000653537068 419044168 /nfs/dbraw/zinc/04/41/68/419044168.db2.gz NXBQWPADLGUOKJ-UHFFFAOYSA-N 2 1 275.440 3.399 20 0 CGADMP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000665242394 419088047 /nfs/dbraw/zinc/08/80/47/419088047.db2.gz VYIMROSNLQHQPG-QEJZJMRPSA-N 2 1 298.352 3.293 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237594 419088979 /nfs/dbraw/zinc/08/89/79/419088979.db2.gz FGDUAZMTIUQHFA-LSDHHAIUSA-N 2 1 258.365 3.182 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655757535 419089471 /nfs/dbraw/zinc/08/94/71/419089471.db2.gz IAHDTKVEQPEFHP-NUJGCVRESA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772108 419093340 /nfs/dbraw/zinc/09/33/40/419093340.db2.gz AQFNYMUNTVLKQS-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253612 419094340 /nfs/dbraw/zinc/09/43/40/419094340.db2.gz XKLCBFGANAFUKH-NSNWQYSKSA-N 2 1 278.415 3.295 20 0 CGADMP C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253487 419094488 /nfs/dbraw/zinc/09/44/88/419094488.db2.gz SDSHXEFXUWASQB-YCCRMZCTSA-N 2 1 294.389 3.189 20 0 CGADMP CCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665257068 419095557 /nfs/dbraw/zinc/09/55/57/419095557.db2.gz YGHUXOIZMRBINW-ZTFGCOKTSA-N 2 1 290.451 3.309 20 0 CGADMP C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1c[nH+]ccc1N ZINC000665273663 419098189 /nfs/dbraw/zinc/09/81/89/419098189.db2.gz BAGHMKIVTHJMME-IFQILLTASA-N 2 1 281.350 3.113 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CCCCC1 ZINC000665283449 419103707 /nfs/dbraw/zinc/10/37/07/419103707.db2.gz OCVGSMNTNPIUFR-STQMWFEESA-N 2 1 261.413 3.361 20 0 CGADMP COc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1C ZINC000665294513 419109182 /nfs/dbraw/zinc/10/91/82/419109182.db2.gz QBIFKNROHPOMIF-YJBOKZPZSA-N 2 1 298.430 3.052 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000665298713 419110359 /nfs/dbraw/zinc/11/03/59/419110359.db2.gz ZZLVKDKODVHYDH-NWDGAFQWSA-N 2 1 288.357 3.224 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000665298197 419111077 /nfs/dbraw/zinc/11/10/77/419111077.db2.gz TYKBKWHLLWILSI-DUVNUKRYSA-N 2 1 280.843 3.249 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659982406 419052270 /nfs/dbraw/zinc/05/22/70/419052270.db2.gz MBKRLTANFDNVCD-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659982406 419052275 /nfs/dbraw/zinc/05/22/75/419052275.db2.gz MBKRLTANFDNVCD-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659982406 419052276 /nfs/dbraw/zinc/05/22/76/419052276.db2.gz MBKRLTANFDNVCD-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000653608142 419058565 /nfs/dbraw/zinc/05/85/65/419058565.db2.gz GPCIGZUAMWVTTQ-HYVNUMGLSA-N 2 1 277.456 3.403 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCCc2c(F)cccc2F)CC1 ZINC000653642510 419064578 /nfs/dbraw/zinc/06/45/78/419064578.db2.gz HLSAXESUKXJNIT-AWEZNQCLSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2c(F)cccc2F)CC1 ZINC000653642510 419064582 /nfs/dbraw/zinc/06/45/82/419064582.db2.gz HLSAXESUKXJNIT-AWEZNQCLSA-N 2 1 296.405 3.314 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655714865 419074931 /nfs/dbraw/zinc/07/49/31/419074931.db2.gz FSMPRBQNZZFGRN-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CCCCNc1cc[nH+]c2c(O)cccc12)C1CC1 ZINC000665724556 419155122 /nfs/dbraw/zinc/15/51/22/419155122.db2.gz CLVGGBZNQJDMHU-UHFFFAOYSA-N 2 1 285.391 3.227 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655546 419177297 /nfs/dbraw/zinc/17/72/97/419177297.db2.gz NATPAMWHOKAJDF-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655546 419177298 /nfs/dbraw/zinc/17/72/98/419177298.db2.gz NATPAMWHOKAJDF-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655546 419177299 /nfs/dbraw/zinc/17/72/99/419177299.db2.gz NATPAMWHOKAJDF-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655546 419177301 /nfs/dbraw/zinc/17/73/01/419177301.db2.gz NATPAMWHOKAJDF-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1cccc(CCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660664810 419178510 /nfs/dbraw/zinc/17/85/10/419178510.db2.gz SWITYKJWZIGBMZ-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660664810 419178512 /nfs/dbraw/zinc/17/85/12/419178512.db2.gz SWITYKJWZIGBMZ-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660664810 419178514 /nfs/dbraw/zinc/17/85/14/419178514.db2.gz SWITYKJWZIGBMZ-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cc(C(F)(F)F)cc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000656605973 419186042 /nfs/dbraw/zinc/18/60/42/419186042.db2.gz IJLKZLKQYWERRB-QWRGUYRKSA-N 2 1 273.302 3.091 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656617945 419186499 /nfs/dbraw/zinc/18/64/99/419186499.db2.gz RMLALINSJRQQGI-OAHLLOKOSA-N 2 1 280.843 3.202 20 0 CGADMP COCC[NH+]1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657331104 419252077 /nfs/dbraw/zinc/25/20/77/419252077.db2.gz OGMJWIUVHRQKQG-UHFFFAOYSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000657336955 419253666 /nfs/dbraw/zinc/25/36/66/419253666.db2.gz BUTCJNCBZYVBLE-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CCCC1 ZINC000656788270 419219648 /nfs/dbraw/zinc/21/96/48/419219648.db2.gz HJCFGOWNEYZISR-UHFFFAOYSA-N 2 1 287.432 3.171 20 0 CGADMP CCc1cccc2cc(C[NH2+]CC3=CC[N@@H+](C)CC3)oc21 ZINC000657427105 419275961 /nfs/dbraw/zinc/27/59/61/419275961.db2.gz MKRAJALUVYRGEN-UHFFFAOYSA-N 2 1 284.403 3.347 20 0 CGADMP CCC1(CC)CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000661671913 419284041 /nfs/dbraw/zinc/28/40/41/419284041.db2.gz HIHPNUXBCUUVPR-UHFFFAOYSA-N 2 1 263.429 3.255 20 0 CGADMP CCC1(CC)CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000661671913 419284042 /nfs/dbraw/zinc/28/40/42/419284042.db2.gz HIHPNUXBCUUVPR-UHFFFAOYSA-N 2 1 263.429 3.255 20 0 CGADMP COc1ccc2c(c1)CC[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000661739862 419292686 /nfs/dbraw/zinc/29/26/86/419292686.db2.gz JMLAYOMIHBSUHA-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP COc1ccc2c(c1)CC[N@H+](CCCCn1cc[nH+]c1C)C2 ZINC000661739862 419292689 /nfs/dbraw/zinc/29/26/89/419292689.db2.gz JMLAYOMIHBSUHA-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cc21 ZINC000657492016 419293019 /nfs/dbraw/zinc/29/30/19/419293019.db2.gz OLECAVXLOWEVEU-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1 ZINC000657677404 419326503 /nfs/dbraw/zinc/32/65/03/419326503.db2.gz CFTCAHRXEDUDNG-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1 ZINC000657677404 419326504 /nfs/dbraw/zinc/32/65/04/419326504.db2.gz CFTCAHRXEDUDNG-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)[C@H](C)C2 ZINC000657698764 419329443 /nfs/dbraw/zinc/32/94/43/419329443.db2.gz YLSCNKICACSFBR-XZKMEQPCSA-N 2 1 284.447 3.445 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000661981996 419319587 /nfs/dbraw/zinc/31/95/87/419319587.db2.gz VAPPOTWMGIDHIA-HNNXBMFYSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000661981996 419319589 /nfs/dbraw/zinc/31/95/89/419319589.db2.gz VAPPOTWMGIDHIA-HNNXBMFYSA-N 2 1 291.439 3.005 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000657753464 419338170 /nfs/dbraw/zinc/33/81/70/419338170.db2.gz WKLCCWQFUXMVKD-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccn1 ZINC000179460658 287538427 /nfs/dbraw/zinc/53/84/27/287538427.db2.gz HPVKNZPUWPLWFM-MRXNPFEDSA-N 2 1 275.440 3.388 20 0 CGADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662229837 419365896 /nfs/dbraw/zinc/36/58/96/419365896.db2.gz NGKUCHVUCZDGOY-QGZVFWFLSA-N 2 1 264.457 3.278 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000662237409 419370675 /nfs/dbraw/zinc/37/06/75/419370675.db2.gz JZOAHPLBQSRHBF-CYBMUJFWSA-N 2 1 298.883 3.364 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662237409 419370679 /nfs/dbraw/zinc/37/06/79/419370679.db2.gz JZOAHPLBQSRHBF-CYBMUJFWSA-N 2 1 298.883 3.364 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]2C2CCC2)c2c(c1)C[NH2+]CC2 ZINC000662258214 419372479 /nfs/dbraw/zinc/37/24/79/419372479.db2.gz SPOMJJFXDHJTRS-SFHVURJKSA-N 2 1 270.420 3.097 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000662266913 419375123 /nfs/dbraw/zinc/37/51/23/419375123.db2.gz QPUDZFBMQDIUNV-USXIJHARSA-N 2 1 272.436 3.153 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000662264068 419376997 /nfs/dbraw/zinc/37/69/97/419376997.db2.gz APHZOXYITAKKNB-QRQLOZEOSA-N 2 1 284.447 3.256 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662277552 419382759 /nfs/dbraw/zinc/38/27/59/419382759.db2.gz WBNQLLCHKMDBJE-HZSPNIEDSA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)=CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291823 419384789 /nfs/dbraw/zinc/38/47/89/419384789.db2.gz ABGKQJGWCSVXGG-INIZCTEOSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCSc1cccc(Cl)c1 ZINC000662283300 419385662 /nfs/dbraw/zinc/38/56/62/419385662.db2.gz HEUFZFCHUNRYPV-WCQYABFASA-N 2 1 284.856 3.244 20 0 CGADMP CCOC1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000657848625 419387225 /nfs/dbraw/zinc/38/72/25/419387225.db2.gz SWXGXURZHGLJAO-JUVOFCAFSA-N 2 1 282.472 3.044 20 0 CGADMP CCOC1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000657848625 419387229 /nfs/dbraw/zinc/38/72/29/419387229.db2.gz SWXGXURZHGLJAO-JUVOFCAFSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+](Cc1cn[nH]c1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663320751 419555803 /nfs/dbraw/zinc/55/58/03/419555803.db2.gz HMPABZUCHOOJAO-UHFFFAOYSA-N 2 1 298.434 3.028 20 0 CGADMP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347238 419568602 /nfs/dbraw/zinc/56/86/02/419568602.db2.gz HVCSDMCEZLRSSX-AMGQUURNSA-N 2 1 284.447 3.411 20 0 CGADMP Cc1ccsc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346999 419566210 /nfs/dbraw/zinc/56/62/10/419566210.db2.gz FCGIKCZYHVAXQP-OAHLLOKOSA-N 2 1 278.465 3.268 20 0 CGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347476 419566591 /nfs/dbraw/zinc/56/65/91/419566591.db2.gz LWNYKHDMQNAWGU-MRXNPFEDSA-N 2 1 276.399 3.037 20 0 CGADMP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345900 419567304 /nfs/dbraw/zinc/56/73/04/419567304.db2.gz OFGZKGCRCZUASH-INIZCTEOSA-N 2 1 276.468 3.421 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000663510102 419640942 /nfs/dbraw/zinc/64/09/42/419640942.db2.gz CDSDFLAISGXQFH-LNSITVRQSA-N 2 1 266.816 3.174 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)CC)[C@H](C)C1 ZINC000658120877 419598983 /nfs/dbraw/zinc/59/89/83/419598983.db2.gz MKBXVCVAHJRLCP-BBWFWOEESA-N 2 1 284.488 3.149 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccncc1 ZINC000663466134 419617683 /nfs/dbraw/zinc/61/76/83/419617683.db2.gz OMCBRCQUDHRLFB-SJLPKXTDSA-N 2 1 287.451 3.244 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663466437 419620004 /nfs/dbraw/zinc/62/00/04/419620004.db2.gz SZAVLKPQMIHQIU-KLAILNCOSA-N 2 1 264.457 3.133 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658163950 419626697 /nfs/dbraw/zinc/62/66/97/419626697.db2.gz UEJWUYOSCUZDGH-MZMPZRCHSA-N 2 1 299.418 3.399 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCC1 ZINC000658226660 419685326 /nfs/dbraw/zinc/68/53/26/419685326.db2.gz LQHHPXPMUYTYKB-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCC1 ZINC000658226660 419685331 /nfs/dbraw/zinc/68/53/31/419685331.db2.gz LQHHPXPMUYTYKB-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC[N@@H+]1C ZINC000658252253 419707317 /nfs/dbraw/zinc/70/73/17/419707317.db2.gz IIOLKDSKMOJYIH-WCVJEAGWSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC[N@H+]1C ZINC000658252253 419707325 /nfs/dbraw/zinc/70/73/25/419707325.db2.gz IIOLKDSKMOJYIH-WCVJEAGWSA-N 2 1 294.483 3.185 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CCNc1[nH+]ccc2[nH]ccc21 ZINC000663603177 419656496 /nfs/dbraw/zinc/65/64/96/419656496.db2.gz GWGPHUSHWJLLAP-ZDUSSCGKSA-N 2 1 272.396 3.239 20 0 CGADMP Nc1cccc2c1cc[nH+]c2NCC1CC[NH+](C2CC2)CC1 ZINC000663850367 419738873 /nfs/dbraw/zinc/73/88/73/419738873.db2.gz SRKPVCDJZOUVAT-UHFFFAOYSA-N 2 1 296.418 3.103 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)Nc1[nH+]ccc2[nH]ccc21 ZINC000663925315 419761386 /nfs/dbraw/zinc/76/13/86/419761386.db2.gz WOTHQHREQDSGMO-GFCCVEGCSA-N 2 1 260.385 3.095 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3C=CCCC3)CC2)cc1 ZINC000090393245 260346690 /nfs/dbraw/zinc/34/66/90/260346690.db2.gz VNIDIJMLIAKIAE-KRWDZBQOSA-N 2 1 270.420 3.349 20 0 CGADMP CC(C)C1(C)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000186191311 262312817 /nfs/dbraw/zinc/31/28/17/262312817.db2.gz ZWWXCGNTEGCYGJ-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCCCC2)([NH+](C)C)C1 ZINC000040668498 270030074 /nfs/dbraw/zinc/03/00/74/270030074.db2.gz LGZLOQGYPNJPLV-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534658 270035875 /nfs/dbraw/zinc/03/58/75/270035875.db2.gz VBKVLOJGHHGVIE-UONOGXRCSA-N 2 1 278.465 3.401 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000044534967 270036408 /nfs/dbraw/zinc/03/64/08/270036408.db2.gz KBIAGSHZJXFIPZ-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCSCC1 ZINC000187262024 270068300 /nfs/dbraw/zinc/06/83/00/270068300.db2.gz SWWPHZLLMOROML-RHSMWYFYSA-N 2 1 296.524 3.372 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCSCC1 ZINC000187262024 270068301 /nfs/dbraw/zinc/06/83/01/270068301.db2.gz SWWPHZLLMOROML-RHSMWYFYSA-N 2 1 296.524 3.372 20 0 CGADMP CCC[C@H](C)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000192848965 270078082 /nfs/dbraw/zinc/07/80/82/270078082.db2.gz KUPLYBMKRVRHFT-AWEZNQCLSA-N 2 1 251.418 3.346 20 0 CGADMP CCC[C@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000192848965 270078083 /nfs/dbraw/zinc/07/80/83/270078083.db2.gz KUPLYBMKRVRHFT-AWEZNQCLSA-N 2 1 251.418 3.346 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217668810 270085162 /nfs/dbraw/zinc/08/51/62/270085162.db2.gz SYKFBRHREMIHMV-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217668810 270085163 /nfs/dbraw/zinc/08/51/63/270085163.db2.gz SYKFBRHREMIHMV-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000521514181 270102171 /nfs/dbraw/zinc/10/21/71/270102171.db2.gz NEIFGERVJZAEFS-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000521514181 270102172 /nfs/dbraw/zinc/10/21/72/270102172.db2.gz NEIFGERVJZAEFS-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@H]1CC12CC2 ZINC000527841943 270138928 /nfs/dbraw/zinc/13/89/28/270138928.db2.gz HFTUUGKVPVDYME-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC12CC2 ZINC000527855994 270139841 /nfs/dbraw/zinc/13/98/41/270139841.db2.gz XUPPUYFBIRNHRF-ZVDSWSACSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC12CC2 ZINC000527855994 270139842 /nfs/dbraw/zinc/13/98/42/270139842.db2.gz XUPPUYFBIRNHRF-ZVDSWSACSA-N 2 1 264.457 3.131 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527904705 270143172 /nfs/dbraw/zinc/14/31/72/270143172.db2.gz PUIDJVKAGNFWGV-OWCLPIDISA-N 2 1 264.457 3.275 20 0 CGADMP c1ccc([C@@H]([NH2+]CCC[NH+]2CCCCC2)C2CCC2)nc1 ZINC000528657364 270169567 /nfs/dbraw/zinc/16/95/67/270169567.db2.gz IMDGTEOATRPZTI-SFHVURJKSA-N 2 1 287.451 3.388 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ncccc1Cl)CC1CCCC1 ZINC000530218945 270196071 /nfs/dbraw/zinc/19/60/71/270196071.db2.gz NYIZKUUHMSZQLD-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ncccc1Cl)CC1CCCC1 ZINC000530218945 270196072 /nfs/dbraw/zinc/19/60/72/270196072.db2.gz NYIZKUUHMSZQLD-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000530232101 270196973 /nfs/dbraw/zinc/19/69/73/270196973.db2.gz NDZOWUZBBZGCEQ-WMLDXEAASA-N 2 1 290.426 3.393 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530244541 270197360 /nfs/dbraw/zinc/19/73/60/270197360.db2.gz MCABPEKXLQRESV-QGZVFWFLSA-N 2 1 272.436 3.227 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000530355041 270199265 /nfs/dbraw/zinc/19/92/65/270199265.db2.gz YHAIZODEUMRNLG-KRWDZBQOSA-N 2 1 269.392 3.094 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC(C)C)[C@H](C)C1 ZINC000531989637 270212167 /nfs/dbraw/zinc/21/21/67/270212167.db2.gz HMXPCXFUBFGFLP-IAGOWNOFSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423046318 274307889 /nfs/dbraw/zinc/30/78/89/274307889.db2.gz UABKKEOYYCKDAZ-FSPWUOQZSA-N 2 1 288.410 3.349 20 0 CGADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414979993 274908560 /nfs/dbraw/zinc/90/85/60/274908560.db2.gz VWWDDPNOPFKRCR-JKSUJKDBSA-N 2 1 296.405 3.375 20 0 CGADMP C(CC1CCOCC1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000368635569 275390337 /nfs/dbraw/zinc/39/03/37/275390337.db2.gz ZJFSLDSYDLWISD-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000102421811 275398869 /nfs/dbraw/zinc/39/88/69/275398869.db2.gz JDVCTNRXQLOTMZ-JBXOJTMHSA-N 2 1 270.420 3.164 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000191603247 275670808 /nfs/dbraw/zinc/67/08/08/275670808.db2.gz FTDDMVFUKSOYFE-QGZVFWFLSA-N 2 1 274.452 3.185 20 0 CGADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414880681 275975065 /nfs/dbraw/zinc/97/50/65/275975065.db2.gz KJEGHTPUIGQNGT-NJAFHUGGSA-N 2 1 288.435 3.061 20 0 CGADMP CC1CCC(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000092253977 276188560 /nfs/dbraw/zinc/18/85/60/276188560.db2.gz AAJGXTKMYAAGCM-UYSNPLJNSA-N 2 1 252.446 3.086 20 0 CGADMP CC1CCC(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000092253977 276188562 /nfs/dbraw/zinc/18/85/62/276188562.db2.gz AAJGXTKMYAAGCM-UYSNPLJNSA-N 2 1 252.446 3.086 20 0 CGADMP CC1CCC(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000092253977 276188564 /nfs/dbraw/zinc/18/85/64/276188564.db2.gz AAJGXTKMYAAGCM-UYSNPLJNSA-N 2 1 252.446 3.086 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@H]1OC ZINC000422934413 276218410 /nfs/dbraw/zinc/21/84/10/276218410.db2.gz FSUORNIUQXQCQG-QBPKDAKJSA-N 2 1 288.435 3.315 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC(C)C)CC2)[C@@H](C)C1 ZINC000246553885 276395756 /nfs/dbraw/zinc/39/57/56/276395756.db2.gz WSCNUJISXPHGFS-LSDHHAIUSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H]([NH2+]CCSc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422766191 276585095 /nfs/dbraw/zinc/58/50/95/276585095.db2.gz LORDVMOGRPPEOE-HOTGVXAUSA-N 2 1 278.465 3.207 20 0 CGADMP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037266958 276672112 /nfs/dbraw/zinc/67/21/12/276672112.db2.gz MHCFPODAEMIAAP-KRWDZBQOSA-N 2 1 260.425 3.384 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000414176612 277073707 /nfs/dbraw/zinc/07/37/07/277073707.db2.gz JGCSMBSWFOFJGY-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000040593285 277283524 /nfs/dbraw/zinc/28/35/24/277283524.db2.gz NQYAYYLFCAMSJN-CHWSQXEVSA-N 2 1 298.377 3.280 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337363316 277392438 /nfs/dbraw/zinc/39/24/38/277392438.db2.gz AHQCAZJZXZQVQP-JKSUJKDBSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]([NH3+])c1ccc(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000414805137 277602095 /nfs/dbraw/zinc/60/20/95/277602095.db2.gz ACLWRLJHFROHKS-RKVPGOIHSA-N 2 1 289.467 3.107 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000395166663 288006744 /nfs/dbraw/zinc/00/67/44/288006744.db2.gz XEYUQBKUMNAJPJ-MQVJKMGUSA-N 2 1 278.827 3.363 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000395166663 288006745 /nfs/dbraw/zinc/00/67/45/288006745.db2.gz XEYUQBKUMNAJPJ-MQVJKMGUSA-N 2 1 278.827 3.363 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H](C)C1CCCC1 ZINC000474927031 278188550 /nfs/dbraw/zinc/18/85/50/278188550.db2.gz QDFZIZNGSXGCSR-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1Cl ZINC000397239815 288022118 /nfs/dbraw/zinc/02/21/18/288022118.db2.gz LABVMEIEHOXLQK-OBJOEFQTSA-N 2 1 296.842 3.154 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1Cl ZINC000397239815 288022119 /nfs/dbraw/zinc/02/21/19/288022119.db2.gz LABVMEIEHOXLQK-OBJOEFQTSA-N 2 1 296.842 3.154 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000397343081 288022996 /nfs/dbraw/zinc/02/29/96/288022996.db2.gz QZESARSTDVILIZ-AGIUHOORSA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000397343081 288022998 /nfs/dbraw/zinc/02/29/98/288022998.db2.gz QZESARSTDVILIZ-AGIUHOORSA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414742111 278219839 /nfs/dbraw/zinc/21/98/39/278219839.db2.gz NEYQWHZIIIEETL-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000423435915 278230191 /nfs/dbraw/zinc/23/01/91/278230191.db2.gz DUPVZPNNHCSEHL-ZIBATOQPSA-N 2 1 266.816 3.433 20 0 CGADMP CC1(C)CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340517758 278231969 /nfs/dbraw/zinc/23/19/69/278231969.db2.gz GFOCYRIPDZMYTA-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397628187 288025617 /nfs/dbraw/zinc/02/56/17/288025617.db2.gz STFBFNMBRUNAKB-CHZLEKFTSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1CCCCC1 ZINC000019912977 278332139 /nfs/dbraw/zinc/33/21/39/278332139.db2.gz BDDZRRSFAOLJMF-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCC[C@H]1C ZINC000449146637 278343557 /nfs/dbraw/zinc/34/35/57/278343557.db2.gz CUZXYFVJLDBRCK-BDXSIMOUSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000086675280 278355075 /nfs/dbraw/zinc/35/50/75/278355075.db2.gz KDUUBJXOYSIOLG-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355727 288062096 /nfs/dbraw/zinc/06/20/96/288062096.db2.gz JNYFPNYLIKKACJ-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C2CC2)c1 ZINC000421355727 288062099 /nfs/dbraw/zinc/06/20/99/288062099.db2.gz JNYFPNYLIKKACJ-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C2CC2)c1 ZINC000421355727 288062102 /nfs/dbraw/zinc/06/21/02/288062102.db2.gz JNYFPNYLIKKACJ-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355727 288062103 /nfs/dbraw/zinc/06/21/03/288062103.db2.gz JNYFPNYLIKKACJ-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355727 288062106 /nfs/dbraw/zinc/06/21/06/288062106.db2.gz JNYFPNYLIKKACJ-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000289282232 278916771 /nfs/dbraw/zinc/91/67/71/278916771.db2.gz QGGGFQMTDFUYME-FZKQIMNGSA-N 2 1 270.420 3.451 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000290462599 278989904 /nfs/dbraw/zinc/98/99/04/278989904.db2.gz WQBQFUAXCHTCAH-KEYYUXOJSA-N 2 1 281.403 3.284 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414199627 279023643 /nfs/dbraw/zinc/02/36/43/279023643.db2.gz XOKQNVXULPEYHT-RKVPGOIHSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000414178397 288105849 /nfs/dbraw/zinc/10/58/49/288105849.db2.gz JSMNRVIREUECQN-KPHYFBGPSA-N 2 1 274.399 3.129 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000061360047 288107235 /nfs/dbraw/zinc/10/72/35/288107235.db2.gz PBZITTRBJPIWSN-QHSBEEBCSA-N 2 1 278.465 3.444 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000482106717 288111726 /nfs/dbraw/zinc/11/17/26/288111726.db2.gz KJARTLXNYVCHAQ-CZUORRHYSA-N 2 1 278.415 3.033 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000149388539 279262637 /nfs/dbraw/zinc/26/26/37/279262637.db2.gz WMQDUKCGLJESNA-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423315671 279298419 /nfs/dbraw/zinc/29/84/19/279298419.db2.gz AHOABZZWEPAFIT-YPMHNXCESA-N 2 1 287.432 3.124 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1nccc2ccccc21)C[NH+](C)C ZINC000293364234 279348777 /nfs/dbraw/zinc/34/87/77/279348777.db2.gz HORQVIZFVOCCIJ-KGLIPLIRSA-N 2 1 271.408 3.083 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000163222498 279395502 /nfs/dbraw/zinc/39/55/02/279395502.db2.gz OJEFQPPSRHQFSU-HOTGVXAUSA-N 2 1 274.452 3.284 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000069381260 279439017 /nfs/dbraw/zinc/43/90/17/279439017.db2.gz MCHPPSGTTHRZLH-YPMHNXCESA-N 2 1 290.373 3.324 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310746704 279657480 /nfs/dbraw/zinc/65/74/80/279657480.db2.gz IZQSNSRNALEQDR-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193139960 279667673 /nfs/dbraw/zinc/66/76/73/279667673.db2.gz KFDOHVJDAYPWGW-NVXWUHKLSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448074015 279686348 /nfs/dbraw/zinc/68/63/48/279686348.db2.gz IUFFGSGQEZTMKQ-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000423482310 280166742 /nfs/dbraw/zinc/16/67/42/280166742.db2.gz XIWRGBVVCYZUPW-CJNGLKHVSA-N 2 1 264.388 3.384 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000422565376 280285511 /nfs/dbraw/zinc/28/55/11/280285511.db2.gz YVDVIHPNBMGCIS-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000430696699 280329398 /nfs/dbraw/zinc/32/93/98/280329398.db2.gz QZWZSAYPHCRAOZ-JJRVBVJISA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070468 281059546 /nfs/dbraw/zinc/05/95/46/281059546.db2.gz YLMBBPOTQCBGGM-RYRKJORJSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268875724 281059585 /nfs/dbraw/zinc/05/95/85/281059585.db2.gz DNCYTINHZIDSBT-UNEWFSDZSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268875724 281059586 /nfs/dbraw/zinc/05/95/86/281059586.db2.gz DNCYTINHZIDSBT-UNEWFSDZSA-N 2 1 258.409 3.055 20 0 CGADMP CC1(C)CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000368218458 281111391 /nfs/dbraw/zinc/11/13/91/281111391.db2.gz GYPGNXKBSQJARQ-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C[C@H]1c1ccccc1 ZINC000530179340 288296330 /nfs/dbraw/zinc/29/63/30/288296330.db2.gz SYKHLRFKKWWJFE-SVGFKBNWSA-N 2 1 270.420 3.053 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000530407433 288305131 /nfs/dbraw/zinc/30/51/31/288305131.db2.gz HFRIHKAADYGIBZ-HKUYNNGSSA-N 2 1 297.446 3.354 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000533106261 288373693 /nfs/dbraw/zinc/37/36/93/288373693.db2.gz CBIBECFVIXHOST-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nc1 ZINC000549806057 289054419 /nfs/dbraw/zinc/05/44/19/289054419.db2.gz GJBALHRVZJTXKR-UHFFFAOYSA-N 2 1 289.467 3.196 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3C=CCCCCC3)C2)C1 ZINC000549840878 289055740 /nfs/dbraw/zinc/05/57/40/289055740.db2.gz PRVARDVCKFPLOP-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000552280425 289177925 /nfs/dbraw/zinc/17/79/25/289177925.db2.gz GTQOKOLGWZTPGC-DJIMGWMZSA-N 2 1 266.473 3.377 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@H]2CCC[C@H]21 ZINC000552283976 289178487 /nfs/dbraw/zinc/17/84/87/289178487.db2.gz OKYCCCJGQDMFIY-VNQPRFMTSA-N 2 1 296.817 3.442 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@H]2CCC[C@@H]21 ZINC000552283975 289178527 /nfs/dbraw/zinc/17/85/27/289178527.db2.gz OKYCCCJGQDMFIY-KBMXLJTQSA-N 2 1 296.817 3.442 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000554113023 289260218 /nfs/dbraw/zinc/26/02/18/289260218.db2.gz QWUFDXDSZPYYEE-OXXUSNJHSA-N 2 1 276.468 3.418 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(C)C)[C@H](C)C1 ZINC000556259600 289382624 /nfs/dbraw/zinc/38/26/24/289382624.db2.gz GZPFJWQRGGOPAN-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558919393 289527014 /nfs/dbraw/zinc/52/70/14/289527014.db2.gz JJYDEOBCXUEHIQ-MGHWNKPDSA-N 2 1 272.436 3.108 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193127754 290340138 /nfs/dbraw/zinc/34/01/38/290340138.db2.gz KIHBUTLLQMJDMY-MWDXBVQZSA-N 2 1 296.499 3.290 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCS2 ZINC000423438983 294109821 /nfs/dbraw/zinc/10/98/21/294109821.db2.gz RWWOENZHKLHBFN-SFDCQRBFSA-N 2 1 294.851 3.074 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC[N@@H+]1C ZINC000358025954 297286710 /nfs/dbraw/zinc/28/67/10/297286710.db2.gz SIQAJYWZKJFMAS-IVMMDQJWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC[N@H+]1C ZINC000358025954 297286711 /nfs/dbraw/zinc/28/67/11/297286711.db2.gz SIQAJYWZKJFMAS-IVMMDQJWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)CC[N@@H+]1C ZINC000358025953 297287585 /nfs/dbraw/zinc/28/75/85/297287585.db2.gz SIQAJYWZKJFMAS-INWMFGNUSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)CC[N@H+]1C ZINC000358025953 297287587 /nfs/dbraw/zinc/28/75/87/297287587.db2.gz SIQAJYWZKJFMAS-INWMFGNUSA-N 2 1 292.398 3.112 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000423145253 301570048 /nfs/dbraw/zinc/57/00/48/301570048.db2.gz JVFATTJEQJGJKB-DOTOQJQBSA-N 2 1 272.436 3.065 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422710345 302199835 /nfs/dbraw/zinc/19/98/35/302199835.db2.gz LSTVYPDDXNESIA-IAOVAPTHSA-N 2 1 258.409 3.176 20 0 CGADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178974543 302222425 /nfs/dbraw/zinc/22/24/25/302222425.db2.gz NPSWTMLKQMKRGN-WBVHZDCISA-N 2 1 272.436 3.172 20 0 CGADMP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCCCC2)cc1F ZINC000423366905 303131907 /nfs/dbraw/zinc/13/19/07/303131907.db2.gz LSLUPITVDMPWRJ-PBHICJAKSA-N 2 1 294.389 3.333 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000166201989 321907368 /nfs/dbraw/zinc/90/73/68/321907368.db2.gz LUYVPHOWNFEYQH-PBHICJAKSA-N 2 1 274.452 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC000563665853 322005984 /nfs/dbraw/zinc/00/59/84/322005984.db2.gz FGDBWIPZDMZCPM-LTIDMASMSA-N 2 1 264.457 3.277 20 0 CGADMP CCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000563723921 322007953 /nfs/dbraw/zinc/00/79/53/322007953.db2.gz QKYWSNGMQGCNQK-UHFFFAOYSA-N 2 1 289.398 3.404 20 0 CGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000563723921 322007954 /nfs/dbraw/zinc/00/79/54/322007954.db2.gz QKYWSNGMQGCNQK-UHFFFAOYSA-N 2 1 289.398 3.404 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CCC(C)C)c1 ZINC000563806491 322011056 /nfs/dbraw/zinc/01/10/56/322011056.db2.gz XPVKRRWSGVUFTC-GOSISDBHSA-N 2 1 292.467 3.025 20 0 CGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000564099554 322020606 /nfs/dbraw/zinc/02/06/06/322020606.db2.gz LIWKPTMSGQGLRI-DLBZAZTESA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)CCc1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1 ZINC000564337383 322028440 /nfs/dbraw/zinc/02/84/40/322028440.db2.gz QELILJLAQLBRHF-UHFFFAOYSA-N 2 1 295.496 3.293 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000564618603 322036429 /nfs/dbraw/zinc/03/64/29/322036429.db2.gz CXRWPSFXAMKBPD-GFCCVEGCSA-N 2 1 286.822 3.340 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000564618603 322036430 /nfs/dbraw/zinc/03/64/30/322036430.db2.gz CXRWPSFXAMKBPD-GFCCVEGCSA-N 2 1 286.822 3.340 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000564969437 322051804 /nfs/dbraw/zinc/05/18/04/322051804.db2.gz LXNGYKQGBQEBRQ-GFCCVEGCSA-N 2 1 284.806 3.082 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000564969437 322051805 /nfs/dbraw/zinc/05/18/05/322051805.db2.gz LXNGYKQGBQEBRQ-GFCCVEGCSA-N 2 1 284.806 3.082 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N(C)CC[C@H]([NH3+])C(C)C ZINC000564976938 322052250 /nfs/dbraw/zinc/05/22/50/322052250.db2.gz CNKMKPHNDCJIQU-INIZCTEOSA-N 2 1 271.408 3.353 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[NH2+]1 ZINC000565821618 322092736 /nfs/dbraw/zinc/09/27/36/322092736.db2.gz PROUAQMILRHGDD-TZMCWYRMSA-N 2 1 293.480 3.421 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566230099 322110442 /nfs/dbraw/zinc/11/04/42/322110442.db2.gz GVGILWICKMDTFE-CVEARBPZSA-N 2 1 298.455 3.456 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000567298879 322158108 /nfs/dbraw/zinc/15/81/08/322158108.db2.gz VPADQRYEPBJAJN-VSZNYVQBSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000567298879 322158110 /nfs/dbraw/zinc/15/81/10/322158110.db2.gz VPADQRYEPBJAJN-VSZNYVQBSA-N 2 1 294.483 3.046 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccn1 ZINC000568238444 322199810 /nfs/dbraw/zinc/19/98/10/322199810.db2.gz UYCJRWVQGQIVOM-LSDHHAIUSA-N 2 1 291.439 3.005 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccn1 ZINC000568238444 322199811 /nfs/dbraw/zinc/19/98/11/322199811.db2.gz UYCJRWVQGQIVOM-LSDHHAIUSA-N 2 1 291.439 3.005 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2ccc(C)cc2)CC1 ZINC000569267439 322241508 /nfs/dbraw/zinc/24/15/08/322241508.db2.gz AHGJUTFHEWMKPR-UHFFFAOYSA-N 2 1 274.452 3.344 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccc(C)cc2)CC1 ZINC000569267439 322241509 /nfs/dbraw/zinc/24/15/09/322241509.db2.gz AHGJUTFHEWMKPR-UHFFFAOYSA-N 2 1 274.452 3.344 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)C1CCCC1 ZINC000569349953 322244436 /nfs/dbraw/zinc/24/44/36/322244436.db2.gz HGSDGUPHJRCHMG-CVEARBPZSA-N 2 1 278.827 3.434 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000569889208 322259831 /nfs/dbraw/zinc/25/98/31/322259831.db2.gz PSUFLYXZMJRHRH-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000569889208 322259833 /nfs/dbraw/zinc/25/98/33/322259833.db2.gz PSUFLYXZMJRHRH-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000569889208 322259834 /nfs/dbraw/zinc/25/98/34/322259834.db2.gz PSUFLYXZMJRHRH-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1C=CCCCCC1 ZINC000569944502 322261303 /nfs/dbraw/zinc/26/13/03/322261303.db2.gz MKDGQEXIOOZJMH-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CCC2CCCC2)C(C)(C)C)C1 ZINC000570975926 322286943 /nfs/dbraw/zinc/28/69/43/322286943.db2.gz NFSJCFHVJFMHKT-AEFFLSMTSA-N 2 1 296.499 3.028 20 0 CGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CCC2CCCC2)C(C)(C)C)C1 ZINC000570975926 322286945 /nfs/dbraw/zinc/28/69/45/322286945.db2.gz NFSJCFHVJFMHKT-AEFFLSMTSA-N 2 1 296.499 3.028 20 0 CGADMP C[N@@H+]1CC[C@H]2CC[NH+](CCC3CCCCCC3)[C@H]2C1 ZINC000571327981 322295973 /nfs/dbraw/zinc/29/59/73/322295973.db2.gz GNDJLGZVEYOATI-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@H]2CC[NH+](CCC3CCCCCC3)[C@H]2C1 ZINC000571327981 322295974 /nfs/dbraw/zinc/29/59/74/322295974.db2.gz GNDJLGZVEYOATI-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@H+](CCC3CCCCCC3)[C@H]2C1 ZINC000571327981 322295975 /nfs/dbraw/zinc/29/59/75/322295975.db2.gz GNDJLGZVEYOATI-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@@H+](CCC3CCCCCC3)[C@H]2C1 ZINC000571327981 322295976 /nfs/dbraw/zinc/29/59/76/322295976.db2.gz GNDJLGZVEYOATI-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCC1)C[NH2+]CC2 ZINC000571572395 322302160 /nfs/dbraw/zinc/30/21/60/322302160.db2.gz LGOTZPSMEZRNLW-GOSISDBHSA-N 2 1 270.420 3.097 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000571902882 322311480 /nfs/dbraw/zinc/31/14/80/322311480.db2.gz SFZJMARKXAIJQM-CVEARBPZSA-N 2 1 250.430 3.195 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000572503257 322340647 /nfs/dbraw/zinc/34/06/47/322340647.db2.gz OFDGVPYUPYNBKG-CVEARBPZSA-N 2 1 294.389 3.457 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000572503257 322340649 /nfs/dbraw/zinc/34/06/49/322340649.db2.gz OFDGVPYUPYNBKG-CVEARBPZSA-N 2 1 294.389 3.457 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000573077739 322369159 /nfs/dbraw/zinc/36/91/59/322369159.db2.gz YPPAJXVCCCEIBE-HYVNUMGLSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccccc1-c1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000573206934 322375344 /nfs/dbraw/zinc/37/53/44/322375344.db2.gz VMEOEAOVUGKTIG-UHFFFAOYSA-N 2 1 268.404 3.443 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000582578311 329110060 /nfs/dbraw/zinc/11/00/60/329110060.db2.gz VIYHBLKFMYHKQN-JKSUJKDBSA-N 2 1 296.817 3.238 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccccc1SCC ZINC000582600254 329113901 /nfs/dbraw/zinc/11/39/01/329113901.db2.gz IKNFPJJWCQPVQD-ZDUSSCGKSA-N 2 1 266.454 3.449 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1cc(C)ccc1OC ZINC000583018770 329298079 /nfs/dbraw/zinc/29/80/79/329298079.db2.gz TWQHUBLTQGINEH-MRXNPFEDSA-N 2 1 278.440 3.432 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000576475865 335209226 /nfs/dbraw/zinc/20/92/26/335209226.db2.gz OKGZWKHWYXPBSI-CYBMUJFWSA-N 2 1 289.448 3.425 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000580563863 335286835 /nfs/dbraw/zinc/28/68/35/335286835.db2.gz FXJNMKZWFNRGKP-SOUVJXGZSA-N 2 1 252.446 3.262 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000577260864 335331088 /nfs/dbraw/zinc/33/10/88/335331088.db2.gz QLZIALGURGFYOU-JLVBRIDZSA-N 2 1 290.451 3.184 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000380730366 336020994 /nfs/dbraw/zinc/02/09/94/336020994.db2.gz KQBCOGVTDDBUOQ-OKILXGFUSA-N 2 1 292.492 3.477 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380937487 336040046 /nfs/dbraw/zinc/04/00/46/336040046.db2.gz KPZOAHZYGIBRRF-SJORKVTESA-N 2 1 272.436 3.287 20 0 CGADMP CC[N@H+]1CCN(c2ccnc3c(Cl)cccc23)[C@@H](C)C1 ZINC000581420553 336074114 /nfs/dbraw/zinc/07/41/14/336074114.db2.gz HITNDASTFKFQNT-LBPRGKRZSA-N 2 1 289.810 3.419 20 0 CGADMP c1ccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000383724427 336116949 /nfs/dbraw/zinc/11/69/49/336116949.db2.gz LUGJPFLPVVOVLC-HNNXBMFYSA-N 2 1 258.409 3.041 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000384318031 336123741 /nfs/dbraw/zinc/12/37/41/336123741.db2.gz NLAQJLLQMAANPI-HNNXBMFYSA-N 2 1 260.425 3.112 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C1CC1 ZINC000581832295 336149424 /nfs/dbraw/zinc/14/94/24/336149424.db2.gz DPVZVEABXNJWIJ-UHFFFAOYSA-N 2 1 269.392 3.017 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000581832295 336149426 /nfs/dbraw/zinc/14/94/26/336149426.db2.gz DPVZVEABXNJWIJ-UHFFFAOYSA-N 2 1 269.392 3.017 20 0 CGADMP C[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)CC1CCCCC1 ZINC000581834205 336149809 /nfs/dbraw/zinc/14/98/09/336149809.db2.gz IUYYGGUSPKPRBF-MRXNPFEDSA-N 2 1 296.499 3.029 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000386288097 336169931 /nfs/dbraw/zinc/16/99/31/336169931.db2.gz GKSIPTAQNMUADM-IMJJTQAJSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000386288097 336169932 /nfs/dbraw/zinc/16/99/32/336169932.db2.gz GKSIPTAQNMUADM-IMJJTQAJSA-N 2 1 252.446 3.297 20 0 CGADMP COc1cccc2c(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cccc12 ZINC000449168804 533840093 /nfs/dbraw/zinc/84/00/93/533840093.db2.gz FKKQQMYFAYTNEJ-HOCLYGCPSA-N 2 1 298.430 3.421 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423315468 533896505 /nfs/dbraw/zinc/89/65/05/533896505.db2.gz ITRLBBIOIPQTIE-SDBXPKJASA-N 2 1 273.207 3.381 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423530048 533994442 /nfs/dbraw/zinc/99/44/42/533994442.db2.gz PCFPVOPOLCFAMK-KBXCAEBGSA-N 2 1 298.434 3.040 20 0 CGADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000449131279 534006476 /nfs/dbraw/zinc/00/64/76/534006476.db2.gz LIUJGZXIFGKECY-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000449131279 534006483 /nfs/dbraw/zinc/00/64/83/534006483.db2.gz LIUJGZXIFGKECY-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000125135787 535825532 /nfs/dbraw/zinc/82/55/32/535825532.db2.gz CZTCKEJVOTVPLG-UONOGXRCSA-N 2 1 263.429 3.481 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000125135787 535825536 /nfs/dbraw/zinc/82/55/36/535825536.db2.gz CZTCKEJVOTVPLG-UONOGXRCSA-N 2 1 263.429 3.481 20 0 CGADMP C[C@H]([NH3+])CC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423222620 534174675 /nfs/dbraw/zinc/17/46/75/534174675.db2.gz BWHJNJDCWQGGCK-LBPRGKRZSA-N 2 1 290.357 3.381 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000356135457 534206339 /nfs/dbraw/zinc/20/63/39/534206339.db2.gz ZZUHIIUVTJOREL-OCCSQVGLSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000356135457 534206360 /nfs/dbraw/zinc/20/63/60/534206360.db2.gz ZZUHIIUVTJOREL-OCCSQVGLSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000356135457 534206364 /nfs/dbraw/zinc/20/63/64/534206364.db2.gz ZZUHIIUVTJOREL-OCCSQVGLSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000356135457 534206372 /nfs/dbraw/zinc/20/63/72/534206372.db2.gz ZZUHIIUVTJOREL-OCCSQVGLSA-N 2 1 296.505 3.386 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)CC2 ZINC000423500102 534439986 /nfs/dbraw/zinc/43/99/86/534439986.db2.gz CTCFFJWYJSOSMB-DLBZAZTESA-N 2 1 258.409 3.089 20 0 CGADMP c1cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)c2o1 ZINC000449083585 534477689 /nfs/dbraw/zinc/47/76/89/534477689.db2.gz UKQZGCLJSHWDRU-JKSUJKDBSA-N 2 1 270.376 3.149 20 0 CGADMP c1cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)c2o1 ZINC000449083585 534477695 /nfs/dbraw/zinc/47/76/95/534477695.db2.gz UKQZGCLJSHWDRU-JKSUJKDBSA-N 2 1 270.376 3.149 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000081578939 521489864 /nfs/dbraw/zinc/48/98/64/521489864.db2.gz FVFCLGGERLRAEL-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000081578939 521489872 /nfs/dbraw/zinc/48/98/72/521489872.db2.gz FVFCLGGERLRAEL-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000081578939 521489877 /nfs/dbraw/zinc/48/98/77/521489877.db2.gz FVFCLGGERLRAEL-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000037643707 521717634 /nfs/dbraw/zinc/71/76/34/521717634.db2.gz DBNLRYKVXFWCIJ-QWHCGFSZSA-N 2 1 252.427 3.049 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2occc21)C1CCCCC1 ZINC000423271762 534677012 /nfs/dbraw/zinc/67/70/12/534677012.db2.gz YDPZKECSEFDISN-HUUCEWRRSA-N 2 1 262.397 3.154 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093978084 524537428 /nfs/dbraw/zinc/53/74/28/524537428.db2.gz UAYNGKXGNXWITN-ZMSDIMECSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093978084 524537437 /nfs/dbraw/zinc/53/74/37/524537437.db2.gz UAYNGKXGNXWITN-ZMSDIMECSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000094826949 525389446 /nfs/dbraw/zinc/38/94/46/525389446.db2.gz AHJLSZITUQMVTN-RYUDHWBXSA-N 2 1 280.362 3.100 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000155998156 525438553 /nfs/dbraw/zinc/43/85/53/525438553.db2.gz RJMUBDDKVJDQSR-SJLPKXTDSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000155998156 525438568 /nfs/dbraw/zinc/43/85/68/525438568.db2.gz RJMUBDDKVJDQSR-SJLPKXTDSA-N 2 1 298.430 3.465 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c(C)s1 ZINC000049506794 525463824 /nfs/dbraw/zinc/46/38/24/525463824.db2.gz GOTYKZJBIRCEJX-LLVKDONJSA-N 2 1 263.410 3.221 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000156579291 525566214 /nfs/dbraw/zinc/56/62/14/525566214.db2.gz XYPSTFCQUBHVOO-SGMGOOAPSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000156579291 525566239 /nfs/dbraw/zinc/56/62/39/525566239.db2.gz XYPSTFCQUBHVOO-SGMGOOAPSA-N 2 1 289.448 3.430 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049525534 527431902 /nfs/dbraw/zinc/43/19/02/527431902.db2.gz ZRZDKDBJCDDOFA-NSHDSACASA-N 2 1 263.772 3.196 20 0 CGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423316697 527782692 /nfs/dbraw/zinc/78/26/92/527782692.db2.gz JYUGLBZPPWYOGX-RDTXWAMCSA-N 2 1 290.451 3.499 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000449246245 527826902 /nfs/dbraw/zinc/82/69/02/527826902.db2.gz DAWVPDFLQZOBME-NVXWUHKLSA-N 2 1 264.457 3.443 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(C)c2)C1 ZINC000449036425 527849618 /nfs/dbraw/zinc/84/96/18/527849618.db2.gz JVPLGBCTOBBRCB-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(C)c2)C1 ZINC000449036425 527849622 /nfs/dbraw/zinc/84/96/22/527849622.db2.gz JVPLGBCTOBBRCB-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(C)c2)C1 ZINC000449036425 527849624 /nfs/dbraw/zinc/84/96/24/527849624.db2.gz JVPLGBCTOBBRCB-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000449372807 527880379 /nfs/dbraw/zinc/88/03/79/527880379.db2.gz APHROTUGEXCHMF-WDYCEAGBSA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369539844 527887127 /nfs/dbraw/zinc/88/71/27/527887127.db2.gz KMTZIKWXGJGGER-SJORKVTESA-N 2 1 289.467 3.251 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369539844 527887132 /nfs/dbraw/zinc/88/71/32/527887132.db2.gz KMTZIKWXGJGGER-SJORKVTESA-N 2 1 289.467 3.251 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cncs2)C1 ZINC000358344088 527987855 /nfs/dbraw/zinc/98/78/55/527987855.db2.gz IZFHYDOGQIEJLS-UONOGXRCSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cncs2)C1 ZINC000358344088 527987858 /nfs/dbraw/zinc/98/78/58/527987858.db2.gz IZFHYDOGQIEJLS-UONOGXRCSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)O[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000428253461 528056929 /nfs/dbraw/zinc/05/69/29/528056929.db2.gz QSCSJORBQUAIAQ-AEFFLSMTSA-N 2 1 290.451 3.036 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000424298071 528163272 /nfs/dbraw/zinc/16/32/72/528163272.db2.gz TVXVRAMMAQUFJJ-HUUCEWRRSA-N 2 1 296.842 3.487 20 0 CGADMP CCC[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423325523 528239330 /nfs/dbraw/zinc/23/93/30/528239330.db2.gz LNNSAVOSQMVSPZ-MFKMUULPSA-N 2 1 274.330 3.483 20 0 CGADMP CC(C)SCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000369503953 528315063 /nfs/dbraw/zinc/31/50/63/528315063.db2.gz PYVMNRHVUDATOW-OAHLLOKOSA-N 2 1 270.486 3.078 20 0 CGADMP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423436458 528329395 /nfs/dbraw/zinc/32/93/95/528329395.db2.gz PPONJBZBJDXXOD-FWYOQMDTSA-N 2 1 276.449 3.056 20 0 CGADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1occc1C ZINC000412028710 528432856 /nfs/dbraw/zinc/43/28/56/528432856.db2.gz SHIXWKCKXDTAHK-UHFFFAOYSA-N 2 1 275.396 3.395 20 0 CGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1occc1C ZINC000412028710 528432858 /nfs/dbraw/zinc/43/28/58/528432858.db2.gz SHIXWKCKXDTAHK-UHFFFAOYSA-N 2 1 275.396 3.395 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423260875 528596979 /nfs/dbraw/zinc/59/69/79/528596979.db2.gz IOAUDFNXSOFREV-UKRRQHHQSA-N 2 1 264.413 3.109 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2CC(C)C)[C@@H](C)C1 ZINC000414189498 528667663 /nfs/dbraw/zinc/66/76/63/528667663.db2.gz SGZDPVITZGIKIX-XWTMOSNGSA-N 2 1 296.499 3.148 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423463170 528690642 /nfs/dbraw/zinc/69/06/42/528690642.db2.gz LFMJNALBLHKJCL-IHRRRGAJSA-N 2 1 264.413 3.252 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000153891489 528752398 /nfs/dbraw/zinc/75/23/98/528752398.db2.gz UVQPNMIYWWLSCS-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423294479 528820470 /nfs/dbraw/zinc/82/04/70/528820470.db2.gz CDDUKUVOVRLWFK-HOCLYGCPSA-N 2 1 286.423 3.040 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000423298246 528821283 /nfs/dbraw/zinc/82/12/83/528821283.db2.gz NUECEJSEHXYYAC-ROUUACIJSA-N 2 1 274.452 3.423 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCNc2ccccc21 ZINC000423297951 528823808 /nfs/dbraw/zinc/82/38/08/528823808.db2.gz MNVPFYCSBWXCIV-BBRMVZONSA-N 2 1 261.413 3.041 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000423295210 528823884 /nfs/dbraw/zinc/82/38/84/528823884.db2.gz DPZLUDKXFPZXQQ-ZWKOTPCHSA-N 2 1 274.452 3.423 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000423304569 528955290 /nfs/dbraw/zinc/95/52/90/528955290.db2.gz YZPCYCJEHWFCHA-WCQYABFASA-N 2 1 268.376 3.002 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423302507 528956761 /nfs/dbraw/zinc/95/67/61/528956761.db2.gz VPOJTANLMVJOSR-CHWSQXEVSA-N 2 1 284.394 3.393 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000423295223 528958639 /nfs/dbraw/zinc/95/86/39/528958639.db2.gz DRCZMGPSSXWIPI-GDBMZVCRSA-N 2 1 264.413 3.253 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423297663 528958869 /nfs/dbraw/zinc/95/88/69/528958869.db2.gz LGVRRLLMLPAICA-CGTJXYLNSA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423278627 529070153 /nfs/dbraw/zinc/07/01/53/529070153.db2.gz RAZVNLFGBRSLTI-NOZJJQNGSA-N 2 1 258.768 3.113 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000449105194 529085253 /nfs/dbraw/zinc/08/52/53/529085253.db2.gz HMWXQGJILWYUFE-CAOSSQGBSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000437763087 529085517 /nfs/dbraw/zinc/08/55/17/529085517.db2.gz WHSCFQPLKWMPLC-MGPQQGTHSA-N 2 1 292.389 3.429 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423493921 529121623 /nfs/dbraw/zinc/12/16/23/529121623.db2.gz RJJGAOYLRHFAND-HOTGVXAUSA-N 2 1 296.842 3.005 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCC1 ZINC000449220671 529157117 /nfs/dbraw/zinc/15/71/17/529157117.db2.gz DTACFJZSZZCFNO-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(F)ccc1F ZINC000423529910 529161284 /nfs/dbraw/zinc/16/12/84/529161284.db2.gz QMSBRMWSFIDVPC-OAHLLOKOSA-N 2 1 268.351 3.148 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cc(C)ccc1OC ZINC000423265807 529173361 /nfs/dbraw/zinc/17/33/61/529173361.db2.gz DADKLEJCWVSPSD-HUUCEWRRSA-N 2 1 264.413 3.028 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1 ZINC000423260559 529173675 /nfs/dbraw/zinc/17/36/75/529173675.db2.gz HMSVOBHRJAJOSW-ZIAGYGMSSA-N 2 1 254.805 3.364 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)cn1 ZINC000352682601 529179390 /nfs/dbraw/zinc/17/93/90/529179390.db2.gz FVWUUSUDORFJOM-GDBMZVCRSA-N 2 1 293.430 3.382 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)cn1 ZINC000352682601 529179391 /nfs/dbraw/zinc/17/93/91/529179391.db2.gz FVWUUSUDORFJOM-GDBMZVCRSA-N 2 1 293.430 3.382 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423268952 529257730 /nfs/dbraw/zinc/25/77/30/529257730.db2.gz FGTYQQJXPCKASK-SMDDNHRTSA-N 2 1 264.438 3.187 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423439751 529257954 /nfs/dbraw/zinc/25/79/54/529257954.db2.gz IBNLCRQIURZLMT-TUAOUCFPSA-N 2 1 252.427 3.185 20 0 CGADMP CCOc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000037678330 535457635 /nfs/dbraw/zinc/45/76/35/535457635.db2.gz LGUCBQNIZUSJFT-UHFFFAOYSA-N 2 1 276.424 3.051 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000191779786 535509666 /nfs/dbraw/zinc/50/96/66/535509666.db2.gz MATHVTVXGYVIEU-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000469987678 535771129 /nfs/dbraw/zinc/77/11/29/535771129.db2.gz UGBVLVRZGIYXGX-MSOLQXFVSA-N 2 1 274.452 3.248 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000493530473 536370465 /nfs/dbraw/zinc/37/04/65/536370465.db2.gz RWUZSRWJAHZOPY-OTWHNJEPSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493530469 536370678 /nfs/dbraw/zinc/37/06/78/536370678.db2.gz RWUZSRWJAHZOPY-GUDVDZBRSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166220820 572354980 /nfs/dbraw/zinc/35/49/80/572354980.db2.gz IKUDQHQKMFKBJC-ZWKOTPCHSA-N 2 1 286.463 3.371 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924768517 620737138 /nfs/dbraw/zinc/73/71/38/620737138.db2.gz GOKXVGPQOLEQQH-BQRFXZSASA-N 2 1 296.524 3.369 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924768517 620737140 /nfs/dbraw/zinc/73/71/40/620737140.db2.gz GOKXVGPQOLEQQH-BQRFXZSASA-N 2 1 296.524 3.369 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050245247 618083135 /nfs/dbraw/zinc/08/31/35/618083135.db2.gz AMAIWTOWBCUQJB-MRXNPFEDSA-N 2 1 266.388 3.134 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892122193 618543751 /nfs/dbraw/zinc/54/37/51/618543751.db2.gz SSDJSWKQYQTPLI-MAUKXSAKSA-N 2 1 272.436 3.206 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1Cl ZINC000051919565 618666948 /nfs/dbraw/zinc/66/69/48/618666948.db2.gz QTSZZSHIKSMBPB-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892946620 618960134 /nfs/dbraw/zinc/96/01/34/618960134.db2.gz IQYFEFCJTNNJKG-DNOWBOINSA-N 2 1 294.389 3.142 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1 ZINC000925720010 619164969 /nfs/dbraw/zinc/16/49/69/619164969.db2.gz COHICAKCPJTIPK-GWCDLVAZSA-N 2 1 258.409 3.101 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C(F)(F)F ZINC000925734437 619209061 /nfs/dbraw/zinc/20/90/61/619209061.db2.gz PNSANQOEVMYPNZ-GHMZBOCLSA-N 2 1 266.351 3.085 20 0 CGADMP Cc1ccccc1C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678088 619209069 /nfs/dbraw/zinc/20/90/69/619209069.db2.gz CQBNIBAUHMGYMP-ZNXRZULTSA-N 2 1 272.436 3.348 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925746823 619213818 /nfs/dbraw/zinc/21/38/18/619213818.db2.gz COFNGQSWSAOTFP-SCRDCRAPSA-N 2 1 293.480 3.175 20 0 CGADMP c1ccc2ncc(C[NH2+]CCC[NH+]3CCCCC3)cc2c1 ZINC000314530832 619230548 /nfs/dbraw/zinc/23/05/48/619230548.db2.gz PWEJDUXFWDBOKK-UHFFFAOYSA-N 2 1 283.419 3.200 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894780208 619634145 /nfs/dbraw/zinc/63/41/45/619634145.db2.gz ZTBYPUWSLOLVTO-CQSZACIVSA-N 2 1 294.464 3.165 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2nccc3ccccc32)C1 ZINC000894783884 619635133 /nfs/dbraw/zinc/63/51/33/619635133.db2.gz ZJGZIMKBWSCOJY-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc(O)cc(Cl)c1)C1CC1 ZINC000894806732 619640447 /nfs/dbraw/zinc/64/04/47/619640447.db2.gz JRFMFZSZADGWHP-UHFFFAOYSA-N 2 1 282.815 3.010 20 0 CGADMP COc1ccccc1C[N@@H+](C)CCCCCCC[NH3+] ZINC000048895095 619651812 /nfs/dbraw/zinc/65/18/12/619651812.db2.gz AJMCHWMUWHCUSX-UHFFFAOYSA-N 2 1 264.413 3.036 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000894854861 619653289 /nfs/dbraw/zinc/65/32/89/619653289.db2.gz MSGNTXWMMGEOLY-UHFFFAOYSA-N 2 1 278.827 3.040 20 0 CGADMP CCc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000895380420 619816821 /nfs/dbraw/zinc/81/68/21/619816821.db2.gz YJRIHSKXAPRTIP-DZGCQCFKSA-N 2 1 295.496 3.258 20 0 CGADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000895380420 619816823 /nfs/dbraw/zinc/81/68/23/619816823.db2.gz YJRIHSKXAPRTIP-DZGCQCFKSA-N 2 1 295.496 3.258 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cnc1F ZINC000896028187 619935158 /nfs/dbraw/zinc/93/51/58/619935158.db2.gz PNHYYJZJGRNWCQ-UHFFFAOYSA-N 2 1 293.430 3.227 20 0 CGADMP Cc1cccc(NC2CCC(C)([NH+]3CCC3)CC2)[nH+]1 ZINC000896255762 619979146 /nfs/dbraw/zinc/97/91/46/619979146.db2.gz SDCHHTJQUGPMHT-UHFFFAOYSA-N 2 1 259.397 3.209 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000925142553 620171797 /nfs/dbraw/zinc/17/17/97/620171797.db2.gz OLCIEKXSQIYXMU-DGADGQDISA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC[N@H+]1C ZINC000925142553 620171800 /nfs/dbraw/zinc/17/18/00/620171800.db2.gz OLCIEKXSQIYXMU-DGADGQDISA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccnn1C1CCC1 ZINC000925219628 620236048 /nfs/dbraw/zinc/23/60/48/620236048.db2.gz FMNHOFRIINLBJN-DZKIICNBSA-N 2 1 290.455 3.132 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC(C)(C)CO2)CC1(C)C ZINC000897473947 620343642 /nfs/dbraw/zinc/34/36/42/620343642.db2.gz IPFRJWUBJLUOSU-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP c1cnc2c(c1)cccc2C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897985673 620463062 /nfs/dbraw/zinc/46/30/62/620463062.db2.gz QDBUKXFQNUMOMF-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP FC1(F)CC[C@H](CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000898017846 620467031 /nfs/dbraw/zinc/46/70/31/620467031.db2.gz UTVHZFNJMMVTRO-MCIONIFRSA-N 2 1 272.383 3.028 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000924650970 620556285 /nfs/dbraw/zinc/55/62/85/620556285.db2.gz OEGYBGNBZKFLOR-XDNAFOTISA-N 2 1 296.499 3.004 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]CCCC[N@H+]3CCCC[C@H]3C)C2)CO1 ZINC000924685359 620562415 /nfs/dbraw/zinc/56/24/15/620562415.db2.gz IJPCLFNFIGLVLT-MRLCAUJQSA-N 2 1 294.483 3.188 20 0 CGADMP CCNc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000902079092 621127812 /nfs/dbraw/zinc/12/78/12/621127812.db2.gz QMZZRZQAZSCIJZ-UHFFFAOYSA-N 2 1 287.451 3.082 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C1 ZINC000902358481 621288683 /nfs/dbraw/zinc/28/86/83/621288683.db2.gz CRTLBYUWGRYBPG-SWLSCSKDSA-N 2 1 292.398 3.017 20 0 CGADMP Cc1nc(-c2cc([C@H](C)[NH2+]CC3([NH3+])CC3)cs2)cs1 ZINC000902415106 621324535 /nfs/dbraw/zinc/32/45/35/621324535.db2.gz AOMGWRALWPZJCE-VIFPVBQESA-N 2 1 293.461 3.322 20 0 CGADMP CN(C)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903091513 621559791 /nfs/dbraw/zinc/55/97/91/621559791.db2.gz VKMPDTFWNRGFGS-QNBRMCRTSA-N 2 1 299.462 3.000 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCOCC1 ZINC000903069816 621567730 /nfs/dbraw/zinc/56/77/30/621567730.db2.gz JWSUFIYQVDIABX-AEFFLSMTSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903111840 621585091 /nfs/dbraw/zinc/58/50/91/621585091.db2.gz CWIJRGDBEXNZEL-YTTRVJOFSA-N 2 1 285.435 3.198 20 0 CGADMP CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000841075521 621605294 /nfs/dbraw/zinc/60/52/94/621605294.db2.gz RUVDNKDNOCUOAU-STQMWFEESA-N 2 1 262.388 3.180 20 0 CGADMP Fc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1F ZINC000903211576 621630141 /nfs/dbraw/zinc/63/01/41/621630141.db2.gz HCOHGQHVCDLYMY-LQDVMPOASA-N 2 1 292.373 3.212 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCCC3(CC3)C1)C2 ZINC000903277880 621659580 /nfs/dbraw/zinc/65/95/80/621659580.db2.gz ALNIYTTWMISXQP-YTTRVJOFSA-N 2 1 274.452 3.457 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)COCC2CCCCC2)CC1 ZINC000903354317 621711483 /nfs/dbraw/zinc/71/14/83/621711483.db2.gz MGCIFVTVKIRDEG-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903377984 621721117 /nfs/dbraw/zinc/72/11/17/621721117.db2.gz AGVJNAWMKLORAR-WMLDXEAASA-N 2 1 275.440 3.243 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381171 621722304 /nfs/dbraw/zinc/72/23/04/621722304.db2.gz SKIKHDFDQFPWRQ-ZBFHGGJFSA-N 2 1 277.456 3.489 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2cccs2)C1 ZINC000903427389 621741994 /nfs/dbraw/zinc/74/19/94/621741994.db2.gz YJIUTTFSMFGZDC-XQQFMLRXSA-N 2 1 250.411 3.012 20 0 CGADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440726 621749959 /nfs/dbraw/zinc/74/99/59/621749959.db2.gz APMCAEQWCPJAPU-UPJWGTAASA-N 2 1 289.448 3.417 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2c(F)cccc2F)C2CC2)C1 ZINC000903456709 621763161 /nfs/dbraw/zinc/76/31/61/621763161.db2.gz JLGXSLYQHZKPID-NWDGAFQWSA-N 2 1 280.362 3.057 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC000903474530 621763493 /nfs/dbraw/zinc/76/34/93/621763493.db2.gz NSIXYINCNPURMA-WCQYABFASA-N 2 1 298.352 3.191 20 0 CGADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903565743 621767677 /nfs/dbraw/zinc/76/76/77/621767677.db2.gz CYBPANOOHLBEHN-SOLBZPMBSA-N 2 1 272.436 3.254 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903728925 621796777 /nfs/dbraw/zinc/79/67/77/621796777.db2.gz HRROKXJDUCIUPD-ZMSDIMECSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000903723848 621797015 /nfs/dbraw/zinc/79/70/15/621797015.db2.gz YRIVVELMLBOJFJ-CABCVRRESA-N 2 1 276.424 3.165 20 0 CGADMP CC[C@@](C)([NH2+]C[C@@H]1CCCC[NH2+]C1)c1nc(C)cs1 ZINC000903741415 621801817 /nfs/dbraw/zinc/80/18/17/621801817.db2.gz PSOFRFICVNIIHO-UKRRQHHQSA-N 2 1 281.469 3.056 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@@H]2CCC(F)(F)C2)CCC1 ZINC000903812468 621813856 /nfs/dbraw/zinc/81/38/56/621813856.db2.gz TXEYNPUJJDOJGB-ZIAGYGMSSA-N 2 1 286.410 3.405 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2CCC(F)(F)C2)CCC1 ZINC000903812466 621814111 /nfs/dbraw/zinc/81/41/11/621814111.db2.gz TXEYNPUJJDOJGB-KGLIPLIRSA-N 2 1 286.410 3.405 20 0 CGADMP C(C[N@H+]1CCCSC[C@@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903826950 621817754 /nfs/dbraw/zinc/81/77/54/621817754.db2.gz OUZYWSJCALHZOY-CVGRLMLNSA-N 2 1 294.508 3.125 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000903847977 621820436 /nfs/dbraw/zinc/82/04/36/621820436.db2.gz XKHPHASPRRXAET-QGTPRVQTSA-N 2 1 266.388 3.151 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903892556 621827739 /nfs/dbraw/zinc/82/77/39/621827739.db2.gz JOOYOVYPHGYORV-UKRRQHHQSA-N 2 1 270.367 3.298 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000903898844 621830161 /nfs/dbraw/zinc/83/01/61/621830161.db2.gz QLIBJTYGQFSZPA-CYBMUJFWSA-N 2 1 274.399 3.405 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000903898844 621830162 /nfs/dbraw/zinc/83/01/62/621830162.db2.gz QLIBJTYGQFSZPA-CYBMUJFWSA-N 2 1 274.399 3.405 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903923500 621833152 /nfs/dbraw/zinc/83/31/52/621833152.db2.gz VTXGEQDLXLNNNV-JQWIXIFHSA-N 2 1 288.407 3.432 20 0 CGADMP COc1ccc(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C2CC2)cc1 ZINC000904305621 621901775 /nfs/dbraw/zinc/90/17/75/621901775.db2.gz QYNXOAPSSACHFF-JLJPHGGASA-N 2 1 288.435 3.033 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326472 621907386 /nfs/dbraw/zinc/90/73/86/621907386.db2.gz KHQRDJFKQVOYTH-RWMBFGLXSA-N 2 1 281.469 3.305 20 0 CGADMP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904341576 621909497 /nfs/dbraw/zinc/90/94/97/621909497.db2.gz PQMLJXWKTFIZHO-SPUZQDLCSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000904371760 621913742 /nfs/dbraw/zinc/91/37/42/621913742.db2.gz SRNSDWQNUUGBAH-CMPLNLGQSA-N 2 1 286.341 3.180 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000904371760 621913748 /nfs/dbraw/zinc/91/37/48/621913748.db2.gz SRNSDWQNUUGBAH-CMPLNLGQSA-N 2 1 286.341 3.180 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000904374384 621914901 /nfs/dbraw/zinc/91/49/01/621914901.db2.gz RROOHTFFPBCDEF-PMPSAXMXSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1C[NH3+] ZINC000904410804 621919500 /nfs/dbraw/zinc/91/95/00/621919500.db2.gz IOOUVUATRQEUGV-CRAIPNDOSA-N 2 1 295.430 3.165 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000904449271 621924126 /nfs/dbraw/zinc/92/41/26/621924126.db2.gz HQMUOYDDVSRTGY-UHFFFAOYSA-N 2 1 276.380 3.135 20 0 CGADMP C1C[C@H]2C[C@@H]([NH2+]C3CCCCCCC3)CC[N@H+]2C1 ZINC000223484941 622860655 /nfs/dbraw/zinc/86/06/55/622860655.db2.gz BZKYCQUXAMZQDQ-HOTGVXAUSA-N 2 1 250.430 3.316 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000158168647 623010660 /nfs/dbraw/zinc/01/06/60/623010660.db2.gz ORPFMUOHPRTNEH-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000842476060 623456529 /nfs/dbraw/zinc/45/65/29/623456529.db2.gz FWARFRXIQBZKJI-MRXNPFEDSA-N 2 1 261.413 3.128 20 0 CGADMP CSCc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000921555506 625672549 /nfs/dbraw/zinc/67/25/49/625672549.db2.gz FXIWDRAXVOKBTR-UHFFFAOYSA-N 2 1 289.448 3.234 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2)[C@@H](C)C1 ZINC000764614449 623921113 /nfs/dbraw/zinc/92/11/13/623921113.db2.gz CRCLOXAUSGWKNS-RDJZCZTQSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(F)nc2)C1 ZINC000188992343 624763984 /nfs/dbraw/zinc/76/39/84/624763984.db2.gz BZJUVDVQOFGNRM-GASCZTMLSA-N 2 1 293.430 3.068 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252210169 624878622 /nfs/dbraw/zinc/87/86/22/624878622.db2.gz XYEKRMYEOKRMRP-NFAWXSAZSA-N 2 1 280.843 3.343 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252210169 624878623 /nfs/dbraw/zinc/87/86/23/624878623.db2.gz XYEKRMYEOKRMRP-NFAWXSAZSA-N 2 1 280.843 3.343 20 0 CGADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)c(C)c1 ZINC000921774507 625871668 /nfs/dbraw/zinc/87/16/68/625871668.db2.gz INDSDVYSRCTBBW-UHFFFAOYSA-N 2 1 287.407 3.079 20 0 CGADMP CS[C@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000922169955 625978210 /nfs/dbraw/zinc/97/82/10/625978210.db2.gz AYHIEXDGAXKYAS-HIFRSBDPSA-N 2 1 270.486 3.125 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C)CC2)C1 ZINC000086889047 626129993 /nfs/dbraw/zinc/12/99/93/626129993.db2.gz AXNWILQCCNDEMQ-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC[NH2+]C1CC1 ZINC000923317769 626144550 /nfs/dbraw/zinc/14/45/50/626144550.db2.gz WDMAYPAJDQINQY-DZGCQCFKSA-N 2 1 276.399 3.146 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000923481348 626157043 /nfs/dbraw/zinc/15/70/43/626157043.db2.gz QOGBGBKBEGVITA-ZDUSSCGKSA-N 2 1 296.842 3.298 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)on2)cc1 ZINC000923497671 626158443 /nfs/dbraw/zinc/15/84/43/626158443.db2.gz IOUKRLJZNGFHEH-HOCLYGCPSA-N 2 1 299.418 3.067 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493276 626158580 /nfs/dbraw/zinc/15/85/80/626158580.db2.gz RDXFFTXQKMETAH-KBPBESRZSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923531753 626161455 /nfs/dbraw/zinc/16/14/55/626161455.db2.gz UYNPUXGPVXNIDY-INIZCTEOSA-N 2 1 278.465 3.287 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923548874 626162711 /nfs/dbraw/zinc/16/27/11/626162711.db2.gz BGEMIGWCMWIBQA-KRWDZBQOSA-N 2 1 282.472 3.034 20 0 CGADMP CCC(CC)[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000774267837 626175572 /nfs/dbraw/zinc/17/55/72/626175572.db2.gz ABOVDQAGJYQMCQ-HMQMGEFJSA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000774267844 626175628 /nfs/dbraw/zinc/17/56/28/626175628.db2.gz ABOVDQAGJYQMCQ-NPYXIHBLSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183473 626327146 /nfs/dbraw/zinc/32/71/46/626327146.db2.gz WVUDOAZXQBARLU-HUUCEWRRSA-N 2 1 278.415 3.078 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)SC)[C@H](C)C1 ZINC000766276633 627312308 /nfs/dbraw/zinc/31/23/08/627312308.db2.gz IIWNWEBHYUQHNP-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C1(CC)CC ZINC000776158976 628171804 /nfs/dbraw/zinc/17/18/04/628171804.db2.gz GQLZEGPTWBJKPA-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1OC ZINC000776164979 628173670 /nfs/dbraw/zinc/17/36/70/628173670.db2.gz WMBUBSIPZMBOFY-VEDBGLOESA-N 2 1 294.483 3.185 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1OC ZINC000776164979 628173674 /nfs/dbraw/zinc/17/36/74/628173674.db2.gz WMBUBSIPZMBOFY-VEDBGLOESA-N 2 1 294.483 3.185 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2ccc(C[NH+](C)C)c(F)c2)[C@H](C)C1 ZINC000777699261 628293536 /nfs/dbraw/zinc/29/35/36/628293536.db2.gz ARTOEBHQTNFQBO-DYVFJYSZSA-N 2 1 293.430 3.030 20 0 CGADMP c1ccc2c(c1)CC[C@H]2C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000780288662 628478575 /nfs/dbraw/zinc/47/85/75/628478575.db2.gz LOJZLHOGFSPURX-WMZOPIPTSA-N 2 1 284.447 3.134 20 0 CGADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000781415589 628558762 /nfs/dbraw/zinc/55/87/62/628558762.db2.gz BPMSYDGWOPZHIJ-TZMCWYRMSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000781415589 628558764 /nfs/dbraw/zinc/55/87/64/628558764.db2.gz BPMSYDGWOPZHIJ-TZMCWYRMSA-N 2 1 293.480 3.194 20 0 CGADMP C[C@H](C1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000782185489 628622273 /nfs/dbraw/zinc/62/22/73/628622273.db2.gz XRMHFHSUZQVTCF-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000783220209 628688972 /nfs/dbraw/zinc/68/89/72/628688972.db2.gz ARAHZOZILLVCFF-HRCADAONSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCSC1)[NH+]1CCC(C)CC1 ZINC000783540538 628723035 /nfs/dbraw/zinc/72/30/35/628723035.db2.gz ZCJVGLBMSXIHPF-CVEARBPZSA-N 2 1 284.513 3.228 20 0 CGADMP c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)co1 ZINC000789768514 629167036 /nfs/dbraw/zinc/16/70/36/629167036.db2.gz IPRCWJFAPIDQTP-UHFFFAOYSA-N 2 1 285.391 3.192 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000862352240 629347389 /nfs/dbraw/zinc/34/73/89/629347389.db2.gz BKXIBWSYYAUKMJ-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000797594038 629966284 /nfs/dbraw/zinc/96/62/84/629966284.db2.gz BVTLPVKBCMYWRS-UHFFFAOYSA-N 2 1 295.858 3.255 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccccc1 ZINC000925493658 630079659 /nfs/dbraw/zinc/07/96/59/630079659.db2.gz YHRBFGNTLIIRTG-XCRHUMRWSA-N 2 1 266.388 3.004 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865417044 630113057 /nfs/dbraw/zinc/11/30/57/630113057.db2.gz WCVLIVUCCPEQBY-HUUCEWRRSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957186 630128533 /nfs/dbraw/zinc/12/85/33/630128533.db2.gz YESIHNNHKLXXJV-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP CC(C)(C[NH2+]Cc1cnc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000865541039 630177748 /nfs/dbraw/zinc/17/77/48/630177748.db2.gz GCOUCVFACNNXET-UHFFFAOYSA-N 2 1 299.821 3.086 20 0 CGADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@]12C[C@H]1CCCC2 ZINC000865704670 630398075 /nfs/dbraw/zinc/39/80/75/630398075.db2.gz XPOSQXCPQZFPJL-ZENOOKHLSA-N 2 1 293.480 3.263 20 0 CGADMP C[C@@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C(C)(C)C ZINC000802653088 630402375 /nfs/dbraw/zinc/40/23/75/630402375.db2.gz XKCDIKAZGWMHCL-HNNXBMFYSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806139726 630547605 /nfs/dbraw/zinc/54/76/05/630547605.db2.gz QWFNQRMGBDMSKT-GVDBMIGSSA-N 2 1 294.483 3.044 20 0 CGADMP C=C/C=C/CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286298 635445099 /nfs/dbraw/zinc/44/50/99/635445099.db2.gz MVQQOMMWBCJUNY-GILVVUIESA-N 2 1 260.425 3.067 20 0 CGADMP C=C/C=C/CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286298 635445102 /nfs/dbraw/zinc/44/51/02/635445102.db2.gz MVQQOMMWBCJUNY-GILVVUIESA-N 2 1 260.425 3.067 20 0 CGADMP C=C/C=C/CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878286298 635445104 /nfs/dbraw/zinc/44/51/04/635445104.db2.gz MVQQOMMWBCJUNY-GILVVUIESA-N 2 1 260.425 3.067 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCC=CO1 ZINC000809739320 630795467 /nfs/dbraw/zinc/79/54/67/630795467.db2.gz GSDNMRNIUWDYTA-GOSISDBHSA-N 2 1 288.435 3.263 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cncc2ccccc21 ZINC000809749628 630799401 /nfs/dbraw/zinc/79/94/01/630799401.db2.gz IEMXMRNWMDSEFE-UHFFFAOYSA-N 2 1 271.408 3.008 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cncc2ccccc21 ZINC000809749628 630799406 /nfs/dbraw/zinc/79/94/06/630799406.db2.gz IEMXMRNWMDSEFE-UHFFFAOYSA-N 2 1 271.408 3.008 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cncc4ccccc43)C2)C1 ZINC000815147196 631729387 /nfs/dbraw/zinc/72/93/87/631729387.db2.gz ZFPUVBJEGZLOEU-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cncc4ccccc43)C2)C1 ZINC000815147196 631729388 /nfs/dbraw/zinc/72/93/88/631729388.db2.gz ZFPUVBJEGZLOEU-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cncc4ccccc43)C2)C1 ZINC000815147196 631729392 /nfs/dbraw/zinc/72/93/92/631729392.db2.gz ZFPUVBJEGZLOEU-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000817941302 632241220 /nfs/dbraw/zinc/24/12/20/632241220.db2.gz RRSSQBYVIHMUCT-AWEZNQCLSA-N 2 1 295.496 3.071 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1Cl ZINC000817959968 632255779 /nfs/dbraw/zinc/25/57/79/632255779.db2.gz IZHDUIZQZSSBTE-YGRLFVJLSA-N 2 1 282.815 3.045 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000817960805 632256348 /nfs/dbraw/zinc/25/63/48/632256348.db2.gz QRNCESHXTVPJMF-LBPRGKRZSA-N 2 1 252.377 3.302 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822751169 633016133 /nfs/dbraw/zinc/01/61/33/633016133.db2.gz UFTIJOXNMVWMGA-XQQFMLRXSA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822751169 633016142 /nfs/dbraw/zinc/01/61/42/633016142.db2.gz UFTIJOXNMVWMGA-XQQFMLRXSA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822751169 633016148 /nfs/dbraw/zinc/01/61/48/633016148.db2.gz UFTIJOXNMVWMGA-XQQFMLRXSA-N 2 1 293.282 3.232 20 0 CGADMP Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c2cc(F)ccc2[nH+]1 ZINC000866204206 633028521 /nfs/dbraw/zinc/02/85/21/633028521.db2.gz BCQVCVAQPNHTIU-GUYCJALGSA-N 2 1 299.393 3.213 20 0 CGADMP Cc1ccc2ccnc(N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)c2c1 ZINC000866208394 633029560 /nfs/dbraw/zinc/02/95/60/633029560.db2.gz ITMVUKZUFXILRU-WBVHZDCISA-N 2 1 281.403 3.074 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866259348 633048249 /nfs/dbraw/zinc/04/82/49/633048249.db2.gz APESSIQYLJRXQD-AEFFLSMTSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000866274954 633058626 /nfs/dbraw/zinc/05/86/26/633058626.db2.gz WFMGCPUYVZWVBB-CCNLRDMRSA-N 2 1 287.451 3.008 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000866274954 633058630 /nfs/dbraw/zinc/05/86/30/633058630.db2.gz WFMGCPUYVZWVBB-CCNLRDMRSA-N 2 1 287.451 3.008 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000866532527 633177112 /nfs/dbraw/zinc/17/71/12/633177112.db2.gz BPDDRXVEQZNVKA-IGQOVBAYSA-N 2 1 290.373 3.203 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000866706580 633234242 /nfs/dbraw/zinc/23/42/42/633234242.db2.gz OWEYPNAVGVJNLS-IBGZPJMESA-N 2 1 297.446 3.432 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705351 633234579 /nfs/dbraw/zinc/23/45/79/633234579.db2.gz YLKHUIPRBUGUMQ-RHSMWYFYSA-N 2 1 260.425 3.445 20 0 CGADMP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000866702724 633234929 /nfs/dbraw/zinc/23/49/29/633234929.db2.gz FTCNPHOPVODZEO-HIFRSBDPSA-N 2 1 276.399 3.003 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000872016547 633937035 /nfs/dbraw/zinc/93/70/35/633937035.db2.gz LDGVIEKFQHMKHL-JKSUJKDBSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872017798 633937977 /nfs/dbraw/zinc/93/79/77/633937977.db2.gz DZFLXLQJPAXUTI-ZACQAIPSSA-N 2 1 296.499 3.434 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CCCCC1 ZINC000872017980 633938295 /nfs/dbraw/zinc/93/82/95/633938295.db2.gz GKLNYSUQIDTJQT-HOTGVXAUSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000872025480 633946147 /nfs/dbraw/zinc/94/61/47/633946147.db2.gz NMZDZIKRQZKNEA-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCCc2ccccc2C1 ZINC000872030936 633949761 /nfs/dbraw/zinc/94/97/61/633949761.db2.gz KZHBYWDNHIIRJD-GOSISDBHSA-N 2 1 283.419 3.119 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+][C@H](C)C[NH+](CC)CC ZINC000872032552 633951546 /nfs/dbraw/zinc/95/15/46/633951546.db2.gz WBPQAXGTVVFOBH-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000872035363 633954404 /nfs/dbraw/zinc/95/44/04/633954404.db2.gz MFHULHLRHFLCRD-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000872078871 634001400 /nfs/dbraw/zinc/00/14/00/634001400.db2.gz TVUPQKXTHVYGRV-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000872078871 634001404 /nfs/dbraw/zinc/00/14/04/634001404.db2.gz TVUPQKXTHVYGRV-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(O)c1F ZINC000872079515 634002664 /nfs/dbraw/zinc/00/26/64/634002664.db2.gz ZCQPZZLOENRAGJ-LBPRGKRZSA-N 2 1 280.387 3.056 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2C=CCC2)[C@H](C)C1 ZINC000872105805 634027870 /nfs/dbraw/zinc/02/78/70/634027870.db2.gz BZIFWROKBWODDM-OAGGEKHMSA-N 2 1 250.430 3.053 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000846218519 636161449 /nfs/dbraw/zinc/16/14/49/636161449.db2.gz QCACCJQHHQAOIT-QGZVFWFLSA-N 2 1 260.425 3.070 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2cscn2)C1)C1CCCC1 ZINC000872156392 634066071 /nfs/dbraw/zinc/06/60/71/634066071.db2.gz IWOVIFOOVOQLPW-BBRMVZONSA-N 2 1 293.480 3.263 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2cscn2)C1)C1CCCC1 ZINC000872156392 634066079 /nfs/dbraw/zinc/06/60/79/634066079.db2.gz IWOVIFOOVOQLPW-BBRMVZONSA-N 2 1 293.480 3.263 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])c2ccccc2n1 ZINC000872155844 634066090 /nfs/dbraw/zinc/06/60/90/634066090.db2.gz YCZVYFXTCGBIGA-UHFFFAOYSA-N 2 1 285.435 3.494 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1C(F)(F)F ZINC000872152211 634066164 /nfs/dbraw/zinc/06/61/64/634066164.db2.gz PEXWKSMWGNSJBH-WCQYABFASA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C(F)(F)F ZINC000872152211 634066176 /nfs/dbraw/zinc/06/61/76/634066176.db2.gz PEXWKSMWGNSJBH-WCQYABFASA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CC2CCOCC2)C1)C1CCCC1 ZINC000872158681 634069342 /nfs/dbraw/zinc/06/93/42/634069342.db2.gz WYUNPNAGNUFHNI-AEFFLSMTSA-N 2 1 294.483 3.033 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C(F)(F)F ZINC000873227139 634290937 /nfs/dbraw/zinc/29/09/37/634290937.db2.gz CIVXCMGNOUWPOV-CABCVRRESA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C(F)(F)F ZINC000873227139 634290942 /nfs/dbraw/zinc/29/09/42/634290942.db2.gz CIVXCMGNOUWPOV-CABCVRRESA-N 2 1 298.352 3.133 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877115272 634988132 /nfs/dbraw/zinc/98/81/32/634988132.db2.gz JTLATCLUUDIOGJ-STQMWFEESA-N 2 1 293.282 3.138 20 0 CGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000877539939 635079500 /nfs/dbraw/zinc/07/95/00/635079500.db2.gz QQLNCDVNPOUQEX-TYILLQQXSA-N 2 1 292.404 3.028 20 0 CGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000877539939 635079504 /nfs/dbraw/zinc/07/95/04/635079504.db2.gz QQLNCDVNPOUQEX-TYILLQQXSA-N 2 1 292.404 3.028 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877744453 635178701 /nfs/dbraw/zinc/17/87/01/635178701.db2.gz TYSRXFHENUZPJK-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000877744453 635178705 /nfs/dbraw/zinc/17/87/05/635178705.db2.gz TYSRXFHENUZPJK-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000877744453 635178711 /nfs/dbraw/zinc/17/87/11/635178711.db2.gz TYSRXFHENUZPJK-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCO[C@@H](C)C1 ZINC000877767161 635193583 /nfs/dbraw/zinc/19/35/83/635193583.db2.gz AWROVDDCTCUOMV-FUHWJXTLSA-N 2 1 296.499 3.101 20 0 CGADMP CC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC(F)(F)C1 ZINC000877834674 635235163 /nfs/dbraw/zinc/23/51/63/635235163.db2.gz WXTWTNGPFDPBHZ-UHFFFAOYSA-N 2 1 294.389 3.428 20 0 CGADMP C[NH+](C)CC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000877971348 635297461 /nfs/dbraw/zinc/29/74/61/635297461.db2.gz XDZWWFJGEIZLFF-UHFFFAOYSA-N 2 1 290.329 3.072 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000878132998 635372134 /nfs/dbraw/zinc/37/21/34/635372134.db2.gz DWWGHPOQENGCTG-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159815 635385697 /nfs/dbraw/zinc/38/56/97/635385697.db2.gz WSRCBKZVIQUCPM-JKSUJKDBSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159815 635385703 /nfs/dbraw/zinc/38/57/03/635385703.db2.gz WSRCBKZVIQUCPM-JKSUJKDBSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159815 635385708 /nfs/dbraw/zinc/38/57/08/635385708.db2.gz WSRCBKZVIQUCPM-JKSUJKDBSA-N 2 1 296.499 3.244 20 0 CGADMP C=C/C=C\CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286302 635444335 /nfs/dbraw/zinc/44/43/35/635444335.db2.gz MVQQOMMWBCJUNY-OEQZANGBSA-N 2 1 260.425 3.067 20 0 CGADMP C=C/C=C\CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286302 635444338 /nfs/dbraw/zinc/44/43/38/635444338.db2.gz MVQQOMMWBCJUNY-OEQZANGBSA-N 2 1 260.425 3.067 20 0 CGADMP C=C/C=C\CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878286302 635444345 /nfs/dbraw/zinc/44/43/45/635444345.db2.gz MVQQOMMWBCJUNY-OEQZANGBSA-N 2 1 260.425 3.067 20 0 CGADMP Cc1cncc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000879749748 635853574 /nfs/dbraw/zinc/85/35/74/635853574.db2.gz KYCNBXLUCWEOKG-IRXDYDNUSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000879749748 635853576 /nfs/dbraw/zinc/85/35/76/635853576.db2.gz KYCNBXLUCWEOKG-IRXDYDNUSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000879749748 635853580 /nfs/dbraw/zinc/85/35/80/635853580.db2.gz KYCNBXLUCWEOKG-IRXDYDNUSA-N 2 1 273.424 3.011 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000844902564 635981128 /nfs/dbraw/zinc/98/11/28/635981128.db2.gz QPKPOFWFDUGKSD-TZMCWYRMSA-N 2 1 281.469 3.216 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](c2ccsc2)O1 ZINC000846219252 636162226 /nfs/dbraw/zinc/16/22/26/636162226.db2.gz MOXLIPIPFAOMLI-DZGCQCFKSA-N 2 1 282.453 3.029 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](c2ccsc2)O1 ZINC000846219254 636162598 /nfs/dbraw/zinc/16/25/98/636162598.db2.gz MOXLIPIPFAOMLI-UKRRQHHQSA-N 2 1 282.453 3.029 20 0 CGADMP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883264941 636634506 /nfs/dbraw/zinc/63/45/06/636634506.db2.gz NWUNKOJFYZWYGR-MGPQQGTHSA-N 2 1 272.383 3.028 20 0 CGADMP CCc1ccc(NC(=[NH2+])NCCCC[N@@H+](C)C2CC2)cc1 ZINC000849039477 636727304 /nfs/dbraw/zinc/72/73/04/636727304.db2.gz AGZCUIFTJWOISE-UHFFFAOYSA-N 2 1 288.439 3.060 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)[C@@H]1CCC[NH3+] ZINC000883436163 636755362 /nfs/dbraw/zinc/75/53/62/636755362.db2.gz MCJUZDJXRFFOIS-BZUAXINKSA-N 2 1 296.499 3.420 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434406 637060669 /nfs/dbraw/zinc/06/06/69/637060669.db2.gz XMSGLULKXIQSBX-GJZGRUSLSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000215984046 637106301 /nfs/dbraw/zinc/10/63/01/637106301.db2.gz VECVBUPHYOMNSF-VXGBXAGGSA-N 2 1 266.454 3.215 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000885922949 637312941 /nfs/dbraw/zinc/31/29/41/637312941.db2.gz MEJOLYYPDFEPGH-LTIDMASMSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000885922949 637312948 /nfs/dbraw/zinc/31/29/48/637312948.db2.gz MEJOLYYPDFEPGH-LTIDMASMSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C ZINC000886033599 637377893 /nfs/dbraw/zinc/37/78/93/637377893.db2.gz XDQPXUALHOUSSK-SVGFKBNWSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C ZINC000886033599 637377901 /nfs/dbraw/zinc/37/79/01/637377901.db2.gz XDQPXUALHOUSSK-SVGFKBNWSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C ZINC000886033599 637377910 /nfs/dbraw/zinc/37/79/10/637377910.db2.gz XDQPXUALHOUSSK-SVGFKBNWSA-N 2 1 264.457 3.227 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886142852 637433155 /nfs/dbraw/zinc/43/31/55/637433155.db2.gz MMHROVCOZDOIHQ-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000852747984 637705241 /nfs/dbraw/zinc/70/52/41/637705241.db2.gz FIEPTMSHVIWUQF-GOSISDBHSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000886857993 637716045 /nfs/dbraw/zinc/71/60/45/637716045.db2.gz JCUZRZHHHACZNS-YOEHRIQHSA-N 2 1 258.409 3.069 20 0 CGADMP [NH3+]CCC[N@@H+](CCC1SCCS1)CC1CCCC1 ZINC000853022560 637736837 /nfs/dbraw/zinc/73/68/37/637736837.db2.gz AXWLLFAPBKSKGG-UHFFFAOYSA-N 2 1 288.526 3.024 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC2(CCCC2)C1 ZINC000302566617 637902790 /nfs/dbraw/zinc/90/27/90/637902790.db2.gz ZYKCMZYXFPTUCM-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000925489152 638228278 /nfs/dbraw/zinc/22/82/78/638228278.db2.gz OPZQITLFHONNNM-CXAGYDPISA-N 2 1 272.367 3.046 20 0 CGADMP CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000924660726 638385756 /nfs/dbraw/zinc/38/57/56/638385756.db2.gz ZRXKLCYKADNZGZ-QAPCUYQASA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@@H+]1CCCC[C@H]1C ZINC000924659736 638386074 /nfs/dbraw/zinc/38/60/74/638386074.db2.gz GLQCVJUVRYFJOJ-RSIVFMTNSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@H+]1CCCC[C@H]1C ZINC000924659736 638386078 /nfs/dbraw/zinc/38/60/78/638386078.db2.gz GLQCVJUVRYFJOJ-RSIVFMTNSA-N 2 1 294.483 3.187 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000924752377 638399573 /nfs/dbraw/zinc/39/95/73/638399573.db2.gz NHLXWGDDKORSRV-DZGCQCFKSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924964603 638433088 /nfs/dbraw/zinc/43/30/88/638433088.db2.gz RHIVMVYTWFIQQM-ZLZJIPBDSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924964603 638433095 /nfs/dbraw/zinc/43/30/95/638433095.db2.gz RHIVMVYTWFIQQM-ZLZJIPBDSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C[NH+](C)C)c1 ZINC000925550471 638526382 /nfs/dbraw/zinc/52/63/82/638526382.db2.gz MVPZAGDYQYVMII-DYVFJYSZSA-N 2 1 298.434 3.200 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccccc2[nH]1 ZINC000925704401 638571775 /nfs/dbraw/zinc/57/17/75/638571775.db2.gz GNJIWIBAJRGLPA-ZDUSSCGKSA-N 2 1 269.392 3.080 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccccc1 ZINC000925709895 638575084 /nfs/dbraw/zinc/57/50/84/638575084.db2.gz VINJXGHIUNPOOZ-CWRNSKLLSA-N 2 1 290.476 3.198 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000925757197 638599352 /nfs/dbraw/zinc/59/93/52/638599352.db2.gz FFTAWHMPZBVRAD-CYBMUJFWSA-N 2 1 292.471 3.211 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925800995 638616299 /nfs/dbraw/zinc/61/62/99/638616299.db2.gz HXNYONBJHXHPHF-PPHJYPGKSA-N 2 1 290.476 3.339 20 0 CGADMP C[C@@H]([NH2+]CCC1(c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000925804617 638618264 /nfs/dbraw/zinc/61/82/64/638618264.db2.gz KPQBPYPLJCSTQE-CQSZACIVSA-N 2 1 281.403 3.267 20 0 CGADMP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000925837119 638627086 /nfs/dbraw/zinc/62/70/86/638627086.db2.gz OAHSKTSRMCPEIF-IXDOHACOSA-N 2 1 287.451 3.099 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C1CCCC1 ZINC000926540915 638783015 /nfs/dbraw/zinc/78/30/15/638783015.db2.gz HFGYQDKNBVJVLJ-FBVQUNGASA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(O)cc(F)c1 ZINC000926557585 638785081 /nfs/dbraw/zinc/78/50/81/638785081.db2.gz CSTZOEDGBOFPMR-LBPRGKRZSA-N 2 1 280.387 3.056 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926752567 638807072 /nfs/dbraw/zinc/80/70/72/638807072.db2.gz AUJDALBOXCAJCB-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP COC/C(C)=C/C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000929421888 638924420 /nfs/dbraw/zinc/92/44/20/638924420.db2.gz NWUVCGSNZNFBHI-ZUPDTJCQSA-N 2 1 294.483 3.023 20 0 CGADMP COC/C(C)=C/C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000929421888 638924421 /nfs/dbraw/zinc/92/44/21/638924421.db2.gz NWUVCGSNZNFBHI-ZUPDTJCQSA-N 2 1 294.483 3.023 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929722817 638945283 /nfs/dbraw/zinc/94/52/83/638945283.db2.gz QDOZPXKZXSIOOL-XQLPTFJDSA-N 2 1 286.410 3.084 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929722817 638945285 /nfs/dbraw/zinc/94/52/85/638945285.db2.gz QDOZPXKZXSIOOL-XQLPTFJDSA-N 2 1 286.410 3.084 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929722817 638945289 /nfs/dbraw/zinc/94/52/89/638945289.db2.gz QDOZPXKZXSIOOL-XQLPTFJDSA-N 2 1 286.410 3.084 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1C ZINC000929779991 638950714 /nfs/dbraw/zinc/95/07/14/638950714.db2.gz JTZLMAYBFAWGOQ-NIFZNCRKSA-N 2 1 286.410 3.082 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1C ZINC000929779991 638950715 /nfs/dbraw/zinc/95/07/15/638950715.db2.gz JTZLMAYBFAWGOQ-NIFZNCRKSA-N 2 1 286.410 3.082 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1C ZINC000929779991 638950716 /nfs/dbraw/zinc/95/07/16/638950716.db2.gz JTZLMAYBFAWGOQ-NIFZNCRKSA-N 2 1 286.410 3.082 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)[nH]1 ZINC000929785517 638951321 /nfs/dbraw/zinc/95/13/21/638951321.db2.gz AYCYCTUSXPDDFV-MEDUHNTESA-N 2 1 255.365 3.220 20 0 CGADMP Cc1nc(C)c(CN2C[C@H](C)[C@@H]2c2ccccc2)[nH]1 ZINC000929785517 638951323 /nfs/dbraw/zinc/95/13/23/638951323.db2.gz AYCYCTUSXPDDFV-MEDUHNTESA-N 2 1 255.365 3.220 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC3(CCC3)O2)[C@@H](C)C1 ZINC000929998713 638967258 /nfs/dbraw/zinc/96/72/58/638967258.db2.gz GAIZRSOALHZWBK-BBWFWOEESA-N 2 1 294.483 3.140 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CCCc3cccc(F)c3)C[C@@]2(C)C1 ZINC000931311843 639132867 /nfs/dbraw/zinc/13/28/67/639132867.db2.gz QEKQEEVKTRHUBH-QZTJIDSGSA-N 2 1 290.426 3.032 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N(CCC[NH3+])C(C)C ZINC001156117879 805655018 /nfs/dbraw/zinc/65/50/18/805655018.db2.gz GAJSOUVBLCQYTN-UHFFFAOYSA-N 2 1 257.381 3.107 20 0 CGADMP CCc1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001158266847 805932509 /nfs/dbraw/zinc/93/25/09/805932509.db2.gz UTIIPRDIUSINRD-RHSMWYFYSA-N 2 1 290.455 3.303 20 0 CGADMP Cc1cc(Nc2ccccc2C2=CC[NH2+]CC2)c[nH+]c1N ZINC001160026002 806215491 /nfs/dbraw/zinc/21/54/91/806215491.db2.gz OJHLEPIPBRUKDK-UHFFFAOYSA-N 2 1 280.375 3.093 20 0 CGADMP CCCCCC1CCC([NH2+]CCC[N@@H+](C)CCO)CC1 ZINC001257372546 807130235 /nfs/dbraw/zinc/13/02/35/807130235.db2.gz HOTHAGQDGIZCON-UHFFFAOYSA-N 2 1 284.488 3.029 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254504260 806423345 /nfs/dbraw/zinc/42/33/45/806423345.db2.gz SUCOGDLSIDZKQF-GOSISDBHSA-N 3 1 297.531 3.353 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC001254499411 806421304 /nfs/dbraw/zinc/42/13/04/806421304.db2.gz FWQPNGCULSPPAY-AWEZNQCLSA-N 2 1 268.351 3.198 20 0 CGADMP CCCC[NH+](CCCC)CCCN[C@@H]1CCC[N@@H+](C)CC1 ZINC001254504260 806423337 /nfs/dbraw/zinc/42/33/37/806423337.db2.gz SUCOGDLSIDZKQF-GOSISDBHSA-N 2 1 297.531 3.353 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254504260 806423341 /nfs/dbraw/zinc/42/33/41/806423341.db2.gz SUCOGDLSIDZKQF-GOSISDBHSA-N 3 1 297.531 3.353 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505923 806425420 /nfs/dbraw/zinc/42/54/20/806425420.db2.gz LXIAVQDUUJKWHL-ZBFHGGJFSA-N 2 1 278.827 3.401 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254508419 806428742 /nfs/dbraw/zinc/42/87/42/806428742.db2.gz QWAKGAIMYWWVKO-DLBZAZTESA-N 2 1 292.854 3.271 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510772 806431557 /nfs/dbraw/zinc/43/15/57/806431557.db2.gz QKSDGEBFXMKSQH-RDJZCZTQSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(Oc3ccccc3)CC2)CC1 ZINC001254516760 806437094 /nfs/dbraw/zinc/43/70/94/806437094.db2.gz OVCVDFASPSLRKN-INIZCTEOSA-N 2 1 288.435 3.014 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254523612 806438016 /nfs/dbraw/zinc/43/80/16/806438016.db2.gz QETKAXWQIQMZTE-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254523612 806438019 /nfs/dbraw/zinc/43/80/19/806438019.db2.gz QETKAXWQIQMZTE-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254523612 806438021 /nfs/dbraw/zinc/43/80/21/806438021.db2.gz QETKAXWQIQMZTE-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254532808 806445443 /nfs/dbraw/zinc/44/54/43/806445443.db2.gz XHWXFGFRSRBRTC-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254532808 806445447 /nfs/dbraw/zinc/44/54/47/806445447.db2.gz XHWXFGFRSRBRTC-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254532808 806445451 /nfs/dbraw/zinc/44/54/51/806445451.db2.gz XHWXFGFRSRBRTC-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCSC2)CC1 ZINC001255274760 806589702 /nfs/dbraw/zinc/58/97/02/806589702.db2.gz DQPWRBORGGIUHC-BRWVUGGUSA-N 2 1 290.476 3.264 20 0 CGADMP CC1([NH2+][C@@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC001255278430 806593108 /nfs/dbraw/zinc/59/31/08/806593108.db2.gz FIABFYBPCDACJD-MRXNPFEDSA-N 2 1 290.476 3.136 20 0 CGADMP CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001255317816 806609212 /nfs/dbraw/zinc/60/92/12/806609212.db2.gz RYEHXZBRDYJRDR-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001255317816 806609216 /nfs/dbraw/zinc/60/92/16/806609216.db2.gz RYEHXZBRDYJRDR-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001255330196 806616632 /nfs/dbraw/zinc/61/66/32/806616632.db2.gz RONQSAAVUKBZBR-WBVHZDCISA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC001255377587 806628888 /nfs/dbraw/zinc/62/88/88/806628888.db2.gz GVGHBWKIQVLINA-YJBOKZPZSA-N 2 1 272.436 3.429 20 0 CGADMP F[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255385073 806630583 /nfs/dbraw/zinc/63/05/83/806630583.db2.gz DPZFSUXXYPRDHC-ZACQAIPSSA-N 2 1 276.399 3.131 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001255499519 806653325 /nfs/dbraw/zinc/65/33/25/806653325.db2.gz AWYNGPPFRXYKNF-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP Cc1ccc([C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001255672379 806701114 /nfs/dbraw/zinc/70/11/14/806701114.db2.gz DOHAROQQLLVYGE-RGPMPMONSA-N 2 1 299.462 3.446 20 0 CGADMP CC(C)[NH+](CCSCC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000160981207 799078202 /nfs/dbraw/zinc/07/82/02/799078202.db2.gz AVWSCUQUMNLVGP-HNNXBMFYSA-N 2 1 272.502 3.323 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC000251301583 799164257 /nfs/dbraw/zinc/16/42/57/799164257.db2.gz IDDNCIOHZGMSHR-CVEARBPZSA-N 2 1 264.388 3.118 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000312778851 799228481 /nfs/dbraw/zinc/22/84/81/799228481.db2.gz YRLGSQLSHPTZOC-SFHVURJKSA-N 2 1 274.452 3.446 20 0 CGADMP C[NH+](C)CC1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC001163301925 806737808 /nfs/dbraw/zinc/73/78/08/806737808.db2.gz STWGKZJKHKUPEB-UHFFFAOYSA-N 2 1 273.424 3.491 20 0 CGADMP C[C@]1(C[NH2+]C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380941298 799368799 /nfs/dbraw/zinc/36/87/99/799368799.db2.gz MQGBQOKXTYRJGB-GOSISDBHSA-N 2 1 272.436 3.431 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000381316926 799376745 /nfs/dbraw/zinc/37/67/45/799376745.db2.gz FECXZQVSMWMOGS-BHDPWAOGSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000381316926 799376752 /nfs/dbraw/zinc/37/67/52/799376752.db2.gz FECXZQVSMWMOGS-BHDPWAOGSA-N 2 1 250.430 3.029 20 0 CGADMP C1CCC2(C1)CCC([N@@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000394027558 799493380 /nfs/dbraw/zinc/49/33/80/799493380.db2.gz NPXUJSMDDINXED-CABCVRRESA-N 2 1 262.441 3.031 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000394027558 799493383 /nfs/dbraw/zinc/49/33/83/799493383.db2.gz NPXUJSMDDINXED-CABCVRRESA-N 2 1 262.441 3.031 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000399227617 799537149 /nfs/dbraw/zinc/53/71/49/799537149.db2.gz YTLBYEYVGDJTSG-RWMBFGLXSA-N 2 1 291.266 3.034 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(Cl)n1 ZINC000401913330 799559275 /nfs/dbraw/zinc/55/92/75/799559275.db2.gz YPUIFAVVBHUQFE-GOOCMWNKSA-N 2 1 293.842 3.148 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403312331 799565346 /nfs/dbraw/zinc/56/53/46/799565346.db2.gz YZCNRTMIPLXOIH-CHWSQXEVSA-N 2 1 262.388 3.119 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001255851725 806768742 /nfs/dbraw/zinc/76/87/42/806768742.db2.gz VJAJZUVEGSRLFE-OAHLLOKOSA-N 2 1 278.415 3.174 20 0 CGADMP CC(C)C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000687964251 799742898 /nfs/dbraw/zinc/74/28/98/799742898.db2.gz WAVFAJGYVMOTON-UHFFFAOYSA-N 2 1 264.438 3.014 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001255866227 806775505 /nfs/dbraw/zinc/77/55/05/806775505.db2.gz NMNMOEPOZZJCDK-HDMKZQKVSA-N 2 1 292.442 3.465 20 0 CGADMP C[N@H+](Cc1ccccc1Cl)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699305789 799859044 /nfs/dbraw/zinc/85/90/44/799859044.db2.gz RMLYXLRPDVXLLW-LQDVMPOASA-N 2 1 278.827 3.302 20 0 CGADMP CC[C@H]1CCCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699264065 799859671 /nfs/dbraw/zinc/85/96/71/799859671.db2.gz PZMUOKKXLCJYCU-UYTSQGDYSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC(C)(C)C1 ZINC000708311313 799985587 /nfs/dbraw/zinc/98/55/87/799985587.db2.gz OSIJRILALFKWTE-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC001255948334 806793975 /nfs/dbraw/zinc/79/39/75/806793975.db2.gz JSXWRDPAFLJPBU-YOEHRIQHSA-N 2 1 275.440 3.243 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C(C)(C)c1ccncc1 ZINC001255951249 806795586 /nfs/dbraw/zinc/79/55/86/806795586.db2.gz OSCYCYNNHVXFFY-CQSZACIVSA-N 2 1 263.429 3.027 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000709680246 800013560 /nfs/dbraw/zinc/01/35/60/800013560.db2.gz XOQORDNPEJLNCC-AWEZNQCLSA-N 2 1 282.472 3.044 20 0 CGADMP c1ccc2c(c1)cccc2C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709937880 800023429 /nfs/dbraw/zinc/02/34/29/800023429.db2.gz SWZLVLHBLLOEBH-UHFFFAOYSA-N 2 1 266.388 3.025 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001255956065 806797985 /nfs/dbraw/zinc/79/79/85/806797985.db2.gz GPGVNYDXORWTOA-MELADBBJSA-N 2 1 274.399 3.084 20 0 CGADMP C[N@H+]1CCN(c2cc3[nH]ccc3c[nH+]2)[C@H](c2ccccc2)C1 ZINC001163668957 806798298 /nfs/dbraw/zinc/79/82/98/806798298.db2.gz GVVYOQWQJFDFOO-KRWDZBQOSA-N 2 1 292.386 3.056 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001255955583 806798673 /nfs/dbraw/zinc/79/86/73/806798673.db2.gz CLMLPXKRBVDNAC-OLZOCXBDSA-N 2 1 298.368 3.331 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001255955583 806798676 /nfs/dbraw/zinc/79/86/76/806798676.db2.gz CLMLPXKRBVDNAC-OLZOCXBDSA-N 2 1 298.368 3.331 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001255961495 806800953 /nfs/dbraw/zinc/80/09/53/806800953.db2.gz NITYICMVRUDRFX-FUHWJXTLSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001255961495 806800961 /nfs/dbraw/zinc/80/09/61/806800961.db2.gz NITYICMVRUDRFX-FUHWJXTLSA-N 2 1 290.451 3.260 20 0 CGADMP CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715570696 800140324 /nfs/dbraw/zinc/14/03/24/800140324.db2.gz FCVAAAXHWLQCNG-CVEARBPZSA-N 2 1 276.424 3.048 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000716330537 800168848 /nfs/dbraw/zinc/16/88/48/800168848.db2.gz YLYPAAGUMPXDHT-ZYHUDNBSSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716715519 800178685 /nfs/dbraw/zinc/17/86/85/800178685.db2.gz CIUNHLPCHVDAMN-XXQMMXQMSA-N 2 1 284.447 3.285 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2CCN(C3CC3)CC2)cc1 ZINC001256081200 806815964 /nfs/dbraw/zinc/81/59/64/806815964.db2.gz SPYLUTVUANTUPA-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP CCc1ccc(C[N@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256081200 806815971 /nfs/dbraw/zinc/81/59/71/806815971.db2.gz SPYLUTVUANTUPA-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256081200 806815975 /nfs/dbraw/zinc/81/59/75/806815975.db2.gz SPYLUTVUANTUPA-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723690949 800336411 /nfs/dbraw/zinc/33/64/11/800336411.db2.gz CTZJUNAKKSGJQU-DOMZBBRYSA-N 2 1 266.816 3.462 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723903227 800344486 /nfs/dbraw/zinc/34/44/86/800344486.db2.gz UWFQYBWZKZIMLD-TZMCWYRMSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1[nH+]c2ccc(N[C@H](C)C[NH+](C)C)cc2n1C(C)C ZINC001163777668 806824249 /nfs/dbraw/zinc/82/42/49/806824249.db2.gz YGGMZTSHPRASMD-GFCCVEGCSA-N 2 1 274.412 3.288 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924572662 800626146 /nfs/dbraw/zinc/62/61/46/800626146.db2.gz SJLCNNXMMAXUBD-KLHKWILBSA-N 2 1 294.483 3.188 20 0 CGADMP CCCCC1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256199636 806848155 /nfs/dbraw/zinc/84/81/55/806848155.db2.gz FRGFAWVLILCBOM-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CN1CCC([N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001256208663 806849977 /nfs/dbraw/zinc/84/99/77/806849977.db2.gz MAUIWZGGCURBLZ-CQSZACIVSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC(N2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001256208663 806849986 /nfs/dbraw/zinc/84/99/86/806849986.db2.gz MAUIWZGGCURBLZ-CQSZACIVSA-N 2 1 278.827 3.224 20 0 CGADMP C[C@@H]1C[C@H](n2ccc(C[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC001256532021 806911611 /nfs/dbraw/zinc/91/16/11/806911611.db2.gz WPVAVYLTHRUPBW-CRAIPNDOSA-N 2 1 283.419 3.172 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccn1 ZINC001256562259 806916668 /nfs/dbraw/zinc/91/66/68/806916668.db2.gz PAYXDPYBHXOKDH-HNNXBMFYSA-N 2 1 275.440 3.385 20 0 CGADMP CC(C)OC1CC[NH+](C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256571675 806919385 /nfs/dbraw/zinc/91/93/85/806919385.db2.gz JJXRBPFWIYSWSA-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574945 806920608 /nfs/dbraw/zinc/92/06/08/806920608.db2.gz HIIDZQVMUXJYPM-ZDUSSCGKSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CCC[C@@](C)(C[NH3+])CC3)c2c1 ZINC001164248062 806922360 /nfs/dbraw/zinc/92/23/60/806922360.db2.gz RCRUJILAHGFJON-GOSISDBHSA-N 2 1 283.419 3.499 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001256615666 806925854 /nfs/dbraw/zinc/92/58/54/806925854.db2.gz PYNOWXYHVRWECN-MMNRESRNSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001256615666 806925856 /nfs/dbraw/zinc/92/58/56/806925856.db2.gz PYNOWXYHVRWECN-MMNRESRNSA-N 2 1 285.435 3.056 20 0 CGADMP CCCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256626754 806931074 /nfs/dbraw/zinc/93/10/74/806931074.db2.gz SXKKGNLORQDIRU-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[N@@H+]([C@H](C)CC)C1CCC([NH+]2CCOCC2)CC1 ZINC001256689298 806949357 /nfs/dbraw/zinc/94/93/57/806949357.db2.gz TWWKYNLNAGTPEX-KLAILNCOSA-N 2 1 282.472 3.140 20 0 CGADMP c1cc(C2CC2)cc(N2CCC3(CCCC[NH2+]3)CC2)[nH+]1 ZINC001165246581 806979682 /nfs/dbraw/zinc/97/96/82/806979682.db2.gz IDGXDVUXMDYNAB-UHFFFAOYSA-N 2 1 271.408 3.072 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3c(c2)CCC3)CC1 ZINC001116755439 802406468 /nfs/dbraw/zinc/40/64/68/802406468.db2.gz IMPXHPSUXQRVFG-UHFFFAOYSA-N 2 1 284.447 3.236 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC001117954123 802513657 /nfs/dbraw/zinc/51/36/57/802513657.db2.gz ZXWWIMJIMYVBMT-CYBMUJFWSA-N 2 1 289.448 3.206 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC001118122725 802526916 /nfs/dbraw/zinc/52/69/16/802526916.db2.gz ZRKDJHHYJPONEV-QWHCGFSZSA-N 2 1 260.381 3.390 20 0 CGADMP FC1(F)CC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256894489 806999885 /nfs/dbraw/zinc/99/98/85/806999885.db2.gz KSEUBSRHIFEYCQ-ZIAGYGMSSA-N 2 1 286.410 3.418 20 0 CGADMP FC1(F)CC[C@@H](C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256894489 806999889 /nfs/dbraw/zinc/99/98/89/806999889.db2.gz KSEUBSRHIFEYCQ-ZIAGYGMSSA-N 2 1 286.410 3.418 20 0 CGADMP CC(C)(C)CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256896916 807002284 /nfs/dbraw/zinc/00/22/84/807002284.db2.gz LWQWDVOSZPYWHL-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)CC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896916 807002291 /nfs/dbraw/zinc/00/22/91/807002291.db2.gz LWQWDVOSZPYWHL-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP [NH3+]Cc1cc2ccncc2n1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908610 807007911 /nfs/dbraw/zinc/00/79/11/807007911.db2.gz PJHCMPAIBTVBMU-MRXNPFEDSA-N 2 1 298.434 3.075 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206808047 813443087 /nfs/dbraw/zinc/44/30/87/813443087.db2.gz JPYXHVUNNKVBSF-GDBMZVCRSA-N 2 1 260.425 3.369 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC001208186392 813735554 /nfs/dbraw/zinc/73/55/54/813735554.db2.gz PXAWAZYQOWEEEO-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc(Cl)ncc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244915309 803575192 /nfs/dbraw/zinc/57/51/92/803575192.db2.gz CPYKTNWBRZTTRK-UHFFFAOYSA-N 2 1 298.777 3.045 20 0 CGADMP Nc1[nH]c2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cc2[nH+]1 ZINC001245355670 803710786 /nfs/dbraw/zinc/71/07/86/803710786.db2.gz KZSHUBJYZVIAKC-CQSZACIVSA-N 2 1 278.359 3.237 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(C)(C)C)[nH]3)C2)CC1 ZINC001137378138 803725462 /nfs/dbraw/zinc/72/54/62/803725462.db2.gz PTKLYRMFEZAABN-UHFFFAOYSA-N 2 1 289.467 3.230 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2c1cccc2Cl ZINC001138830641 804054126 /nfs/dbraw/zinc/05/41/26/804054126.db2.gz SFMNSDPSFZVHCF-UHFFFAOYSA-N 2 1 279.815 3.205 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2c1cccc2Cl ZINC001138830641 804054131 /nfs/dbraw/zinc/05/41/31/804054131.db2.gz SFMNSDPSFZVHCF-UHFFFAOYSA-N 2 1 279.815 3.205 20 0 CGADMP CCCCC[C@@H](O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246054089 804104866 /nfs/dbraw/zinc/10/48/66/804104866.db2.gz WRAZBGDMYXIWBY-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP CCCCC[C@H](O)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068871 804108537 /nfs/dbraw/zinc/10/85/37/804108537.db2.gz JQWBSRHFMFSCFY-SZMVWBNQSA-N 2 1 296.499 3.442 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)CC[NH2+]1 ZINC001246071699 804110145 /nfs/dbraw/zinc/11/01/45/804110145.db2.gz NFALPOQHLZWUFN-ZFWWWQNUSA-N 2 1 266.816 3.206 20 0 CGADMP [NH3+]CC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246076665 804114764 /nfs/dbraw/zinc/11/47/64/804114764.db2.gz DRDICFCXUCMRNF-UHFFFAOYSA-N 2 1 297.240 3.024 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090924 804122009 /nfs/dbraw/zinc/12/20/09/804122009.db2.gz MZEXFRDBKVSIKJ-RISCZKNCSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246094877 804126784 /nfs/dbraw/zinc/12/67/84/804126784.db2.gz GRUCNWRIZHZHQD-OAGGEKHMSA-N 2 1 264.457 3.467 20 0 CGADMP C[C@@]1([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[NH2+]C1 ZINC001246097417 804130039 /nfs/dbraw/zinc/13/00/39/804130039.db2.gz OWWFFUWIFNVLBB-SWLSCSKDSA-N 2 1 299.245 3.192 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](CC)CCC[NH+](C)C)cc21 ZINC001139120394 804132552 /nfs/dbraw/zinc/13/25/52/804132552.db2.gz QPUCIFZUMMXMDZ-UHFFFAOYSA-N 2 1 287.451 3.435 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1F ZINC001246104451 804137034 /nfs/dbraw/zinc/13/70/34/804137034.db2.gz JTQWFVLPRVIFCE-YIBTVLSRSA-N 2 1 282.790 3.413 20 0 CGADMP CCCCC[C@@H](CC)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113195 804144481 /nfs/dbraw/zinc/14/44/81/804144481.db2.gz NJKCWYQZNBYBIT-HUUCEWRRSA-N 2 1 258.425 3.417 20 0 CGADMP CCC1CCC([NH2+]C[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246116974 804147580 /nfs/dbraw/zinc/14/75/80/804147580.db2.gz YBLRSBLNRMFCCW-NRXISQOPSA-N 2 1 256.409 3.027 20 0 CGADMP F[C@]1(C[NH2+]C2CCc3ccccc3CC2)CCCC[NH2+]C1 ZINC001246116152 804148116 /nfs/dbraw/zinc/14/81/16/804148116.db2.gz UWUBOLGPROPGLN-GOSISDBHSA-N 2 1 290.426 3.005 20 0 CGADMP C[N@H+](Cc1ccc2cccnc2c1)CC1CC[NH+](C)CC1 ZINC001139169642 804148733 /nfs/dbraw/zinc/14/87/33/804148733.db2.gz QCTIOZJIVJSQDS-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001139171323 804150689 /nfs/dbraw/zinc/15/06/89/804150689.db2.gz RQVQTWJSFRCSPJ-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001139171323 804150696 /nfs/dbraw/zinc/15/06/96/804150696.db2.gz RQVQTWJSFRCSPJ-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001139171323 804150701 /nfs/dbraw/zinc/15/07/01/804150701.db2.gz RQVQTWJSFRCSPJ-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001139171323 804150706 /nfs/dbraw/zinc/15/07/06/804150706.db2.gz RQVQTWJSFRCSPJ-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCCCC(CCCC)[NH2+][C@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246123418 804153311 /nfs/dbraw/zinc/15/33/11/804153311.db2.gz DUEYWQCDEDJHKB-KRWDZBQOSA-N 2 1 298.471 3.010 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC001246129329 804156346 /nfs/dbraw/zinc/15/63/46/804156346.db2.gz FFOMNNQHBNEQNO-JCGIZDLHSA-N 2 1 272.436 3.054 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246132836 804157824 /nfs/dbraw/zinc/15/78/24/804157824.db2.gz IMSDMSYMUGQPAM-VBNZEHGJSA-N 2 1 294.439 3.181 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246137156 804160269 /nfs/dbraw/zinc/16/02/69/804160269.db2.gz ZAXDCOPMKIPPRR-IAGOWNOFSA-N 2 1 272.436 3.130 20 0 CGADMP CCCC[C@@H]1C[C@H](NCC[N@@H+](CC)CCCC)CC[NH2+]1 ZINC001246160959 804177500 /nfs/dbraw/zinc/17/75/00/804177500.db2.gz IAJQKBQBALRRSH-IAGOWNOFSA-N 2 1 283.504 3.009 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001246167095 804183206 /nfs/dbraw/zinc/18/32/06/804183206.db2.gz CLJVUHCKSADBCU-SQNIBIBYSA-N 2 1 272.436 3.445 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175908 804190859 /nfs/dbraw/zinc/19/08/59/804190859.db2.gz IVTZRNWFCAUYOC-AEFFLSMTSA-N 3 1 295.515 3.281 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175908 804190864 /nfs/dbraw/zinc/19/08/64/804190864.db2.gz IVTZRNWFCAUYOC-AEFFLSMTSA-N 3 1 295.515 3.281 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(N)c1 ZINC001246175643 804191012 /nfs/dbraw/zinc/19/10/12/804191012.db2.gz LZMHDMVYQYRYMT-GDIGMMSISA-N 2 1 295.430 3.413 20 0 CGADMP CC(C)(Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246179588 804193398 /nfs/dbraw/zinc/19/33/98/804193398.db2.gz NORIFYVMMYNQBW-CQSZACIVSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246187017 804198369 /nfs/dbraw/zinc/19/83/69/804198369.db2.gz FKYZYRWVDCNWEC-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@]1([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246192338 804199970 /nfs/dbraw/zinc/19/99/70/804199970.db2.gz ZTCQFUMFYBANLY-IXDOHACOSA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206340 804206482 /nfs/dbraw/zinc/20/64/82/804206482.db2.gz FOJFCEICKQDZLQ-GJZGRUSLSA-N 2 1 298.471 3.160 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)C[NH2+]1 ZINC001246236320 804229006 /nfs/dbraw/zinc/22/90/06/804229006.db2.gz VXKSNNKKQRMOGC-KSSFIOAISA-N 2 1 268.404 3.112 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CN1 ZINC001246264254 804245966 /nfs/dbraw/zinc/24/59/66/804245966.db2.gz HWCMPXANGZTSGO-IINYFYTJSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC001246264254 804245972 /nfs/dbraw/zinc/24/59/72/804245972.db2.gz HWCMPXANGZTSGO-IINYFYTJSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCCCCCCCCCO)C[NH2+]1 ZINC001246271422 804249267 /nfs/dbraw/zinc/24/92/67/804249267.db2.gz ILDLCAOQCRVHDH-SJORKVTESA-N 2 1 284.488 3.220 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1F ZINC001246276216 804252610 /nfs/dbraw/zinc/25/26/10/804252610.db2.gz KSDCBGPGGUUNKE-ZENOOKHLSA-N 2 1 264.388 3.397 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCC2)CC[NH2+]1 ZINC001246282082 804256418 /nfs/dbraw/zinc/25/64/18/804256418.db2.gz UAZPAGIAPHXYRY-RVSPLBMKSA-N 2 1 276.399 3.397 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])Cc2ccccc2)CC(C)(C)C1 ZINC001246299595 804266276 /nfs/dbraw/zinc/26/62/76/804266276.db2.gz KXGMQFBOOKLWGA-BHYGNILZSA-N 2 1 274.452 3.361 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001246301262 804268226 /nfs/dbraw/zinc/26/82/26/804268226.db2.gz QWGJWTHBMVUMHJ-LLVKDONJSA-N 2 1 286.341 3.282 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246316827 804276540 /nfs/dbraw/zinc/27/65/40/804276540.db2.gz JHSBLMJLZCSCLT-KOLCDFICSA-N 2 1 290.785 3.266 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1Cl ZINC001246317045 804277029 /nfs/dbraw/zinc/27/70/29/804277029.db2.gz KRIBMWNUULQWEZ-AWEZNQCLSA-N 2 1 252.789 3.133 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246330048 804284668 /nfs/dbraw/zinc/28/46/68/804284668.db2.gz ULAQQKCJOZHDFB-YWPYICTPSA-N 2 1 266.816 3.001 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246332055 804287316 /nfs/dbraw/zinc/28/73/16/804287316.db2.gz PHZOHSUTACKZJA-SZMVWBNQSA-N 2 1 274.452 3.231 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246342912 804294290 /nfs/dbraw/zinc/29/42/90/804294290.db2.gz CHKHTOONZOJXKG-HOTGVXAUSA-N 2 1 262.441 3.361 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2Cl)CC[NH2+]1 ZINC001246342723 804294976 /nfs/dbraw/zinc/29/49/76/804294976.db2.gz JGYBUUJBLPINMZ-UONOGXRCSA-N 2 1 266.816 3.269 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1F ZINC001246353525 804299369 /nfs/dbraw/zinc/29/93/69/804299369.db2.gz XFLLYOIKCVJHRF-ACJTYDJDSA-N 2 1 280.362 3.207 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)c(F)c1F ZINC001246352677 804299949 /nfs/dbraw/zinc/29/99/49/804299949.db2.gz UCEBPHAHOGMJMV-UTUOFQBUSA-N 2 1 282.378 3.453 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2F)CC[NH2+]1 ZINC001246352444 804300075 /nfs/dbraw/zinc/30/00/75/804300075.db2.gz OPMPVWDIXMIFDK-LSDHHAIUSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)C[NH2+]1 ZINC001246385100 804316240 /nfs/dbraw/zinc/31/62/40/804316240.db2.gz BBQBEBUBXQFJFB-CJNGLKHVSA-N 2 1 276.399 3.021 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246402220 804321929 /nfs/dbraw/zinc/32/19/29/804321929.db2.gz KTLQGOSBCUOOEL-KBAYOESNSA-N 3 1 295.515 3.137 20 0 CGADMP CC1(C)C[NH2+]C[C@H](C[NH2+][C@@H]2CCCC3(CCCCC3)C2)O1 ZINC001246412757 804324973 /nfs/dbraw/zinc/32/49/73/804324973.db2.gz MSEPNXYUATYUTA-HZPDHXFCSA-N 2 1 294.483 3.236 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)C[NH2+]1 ZINC001246433594 804332789 /nfs/dbraw/zinc/33/27/89/804332789.db2.gz RXWKSDWDWNOFKC-WMLDXEAASA-N 2 1 290.426 3.269 20 0 CGADMP CC[C@@]1([NH2+][C@@H](C)Cc2ccccc2Cl)CC[NH2+]C1 ZINC001246461915 804342866 /nfs/dbraw/zinc/34/28/66/804342866.db2.gz QLMIZNDUVOBSQB-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)C[C@@H](C)C1 ZINC001246488384 804357815 /nfs/dbraw/zinc/35/78/15/804357815.db2.gz NJGATFKWWJRYAY-RQJABVFESA-N 2 1 274.399 3.036 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246494851 804360125 /nfs/dbraw/zinc/36/01/25/804360125.db2.gz LZIACYBXJKGAEA-JLUCKKNBSA-N 2 1 296.867 3.161 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001246494531 804360227 /nfs/dbraw/zinc/36/02/27/804360227.db2.gz HFEINUBPSIKFJZ-AWEZNQCLSA-N 2 1 278.415 3.180 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246498124 804362585 /nfs/dbraw/zinc/36/25/85/804362585.db2.gz IMBSZHLUTGTYJF-XNJGSVPQSA-N 2 1 294.389 3.462 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])CC(C)C ZINC001246502020 804363681 /nfs/dbraw/zinc/36/36/81/804363681.db2.gz CRACGCJAGJOGBE-IRXDYDNUSA-N 2 1 262.441 3.361 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246514009 804368771 /nfs/dbraw/zinc/36/87/71/804368771.db2.gz ZKZLHXAJMAXVQF-UBDQQSCGSA-N 2 1 272.436 3.443 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)Cc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246518131 804370810 /nfs/dbraw/zinc/37/08/10/804370810.db2.gz DRSGGAYYJIDURC-HZPDHXFCSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246517780 804372540 /nfs/dbraw/zinc/37/25/40/804372540.db2.gz BTFLWVDDMQXDRV-BPQIPLTHSA-N 2 1 272.436 3.082 20 0 CGADMP CCC1CCC([N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001246522051 804376656 /nfs/dbraw/zinc/37/66/56/804376656.db2.gz HQWCGXQGXXUOHN-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246523540 804377993 /nfs/dbraw/zinc/37/79/93/804377993.db2.gz NLOAKFCOTZQBMJ-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246525402 804378064 /nfs/dbraw/zinc/37/80/64/804378064.db2.gz XKIYVWUAYGYOFW-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP [NH3+][C@@H]1C[N@@H+](C2CCC(c3ccccc3)CC2)CC12CC2 ZINC001246534190 804384089 /nfs/dbraw/zinc/38/40/89/804384089.db2.gz QQABJHARFOLWDH-OFLPRAFFSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@H]1C[N@H+](C2CCC(c3ccccc3)CC2)CC12CC2 ZINC001246534190 804384095 /nfs/dbraw/zinc/38/40/95/804384095.db2.gz QQABJHARFOLWDH-OFLPRAFFSA-N 2 1 270.420 3.136 20 0 CGADMP C[N@@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC001246531136 804384139 /nfs/dbraw/zinc/38/41/39/804384139.db2.gz MVVWRTORAOJCJB-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539294 804387989 /nfs/dbraw/zinc/38/79/89/804387989.db2.gz HDWUTEXINJPXNW-ZACQAIPSSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246540510 804389053 /nfs/dbraw/zinc/38/90/53/804389053.db2.gz AZUKTULJJKYIGO-HOCLYGCPSA-N 2 1 270.420 3.280 20 0 CGADMP CCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246545096 804392810 /nfs/dbraw/zinc/39/28/10/804392810.db2.gz XOUSSSMRTMISIR-FPCVCCKLSA-N 2 1 252.446 3.262 20 0 CGADMP C1C[C@H]2C[C@@H]([NH+]3CCC4(CCCCC4)CC3)C[C@@H]1[NH2+]2 ZINC001246546742 804395111 /nfs/dbraw/zinc/39/51/11/804395111.db2.gz BJVHUCBENKUJSD-ZSHCYNCHSA-N 2 1 262.441 3.316 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246547722 804395903 /nfs/dbraw/zinc/39/59/03/804395903.db2.gz MPSWLCMCSJXGKQ-PIIMJCKOSA-N 2 1 270.420 3.026 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246547467 804396269 /nfs/dbraw/zinc/39/62/69/804396269.db2.gz PUYLRFZDPXSDFY-IRXDYDNUSA-N 2 1 260.425 3.211 20 0 CGADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001246547416 804396309 /nfs/dbraw/zinc/39/63/09/804396309.db2.gz CWSUFGDHXHQMPC-FUHWJXTLSA-N 2 1 294.483 3.055 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC(C)(C)C1 ZINC001246551786 804401960 /nfs/dbraw/zinc/40/19/60/804401960.db2.gz REKLFQCQFRDOOY-FMKPAKJESA-N 2 1 270.436 3.354 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552090 804402666 /nfs/dbraw/zinc/40/26/66/804402666.db2.gz NRWHITGZUPQZPF-JSGCOSHPSA-N 2 1 258.475 3.110 20 0 CGADMP c1ccc([C@@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246555112 804405006 /nfs/dbraw/zinc/40/50/06/804405006.db2.gz DCUVPXZSMZKFCB-QYZOEREBSA-N 2 1 284.447 3.398 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246557385 804405937 /nfs/dbraw/zinc/40/59/37/804405937.db2.gz LKUVRYIUBCOYHM-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](F)CC2)CC[NH2+]1 ZINC001246560061 804408323 /nfs/dbraw/zinc/40/83/23/804408323.db2.gz RNMIHUUNYUOJFI-ZNMIVQPWSA-N 2 1 256.409 3.121 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC001246560642 804409137 /nfs/dbraw/zinc/40/91/37/804409137.db2.gz REHVMRDBDBYCNN-HZPDHXFCSA-N 2 1 294.483 3.033 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246567502 804415148 /nfs/dbraw/zinc/41/51/48/804415148.db2.gz LHAICGZQYGSWJP-FMKPAKJESA-N 2 1 278.415 3.064 20 0 CGADMP C[C@]1(F)CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246570483 804416890 /nfs/dbraw/zinc/41/68/90/804416890.db2.gz AENSQJOMVZPNCX-KSZLIROESA-N 2 1 290.426 3.174 20 0 CGADMP C[C@]1(F)CCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246570483 804416894 /nfs/dbraw/zinc/41/68/94/804416894.db2.gz AENSQJOMVZPNCX-KSZLIROESA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C ZINC001246571294 804419387 /nfs/dbraw/zinc/41/93/87/804419387.db2.gz IIHRSRFQHOBQCP-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC(C(F)(F)F)CC2)CCC[C@H]1C[NH3+] ZINC001246573076 804420580 /nfs/dbraw/zinc/42/05/80/804420580.db2.gz YYLMVYVHRXZAER-KBHBFKLGSA-N 2 1 292.389 3.414 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001246574275 804421296 /nfs/dbraw/zinc/42/12/96/804421296.db2.gz UDGCUVLZWNXXEU-CABCVRRESA-N 2 1 278.465 3.017 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001246574275 804421301 /nfs/dbraw/zinc/42/13/01/804421301.db2.gz UDGCUVLZWNXXEU-CABCVRRESA-N 2 1 278.465 3.017 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246581713 804426573 /nfs/dbraw/zinc/42/65/73/804426573.db2.gz AIGSTIADUPGQOD-DOTOQJQBSA-N 2 1 290.476 3.154 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1(C)C ZINC001246595127 804437087 /nfs/dbraw/zinc/43/70/87/804437087.db2.gz RJIKQOLVGPLVJY-SFHVURJKSA-N 3 1 295.515 3.089 20 0 CGADMP C[NH+]1C(C)(C)CC(N2CCCC[C@@](C)(C[NH3+])C2)CC1(C)C ZINC001246595127 804437091 /nfs/dbraw/zinc/43/70/91/804437091.db2.gz RJIKQOLVGPLVJY-SFHVURJKSA-N 2 1 295.515 3.089 20 0 CGADMP Clc1cccc(CC2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246601423 804438764 /nfs/dbraw/zinc/43/87/64/804438764.db2.gz VCTRUSLMFKGKRL-QGZVFWFLSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001246602679 804440628 /nfs/dbraw/zinc/44/06/28/804440628.db2.gz JBDUAEJLPLABKM-BRWVUGGUSA-N 2 1 264.457 3.421 20 0 CGADMP CC1CCC([N@H+]2CCC[C@@]23CCC[NH2+]CC3)CC1 ZINC001246606123 804442295 /nfs/dbraw/zinc/44/22/95/804442295.db2.gz MHCYRXXCDHRVMD-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C1 ZINC001246607242 804442312 /nfs/dbraw/zinc/44/23/12/804442312.db2.gz OXHUUYZPOGGSDH-OAGGEKHMSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)OCC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246609343 804443631 /nfs/dbraw/zinc/44/36/31/804443631.db2.gz MLXMWCLTPCRGJV-ZWKOTPCHSA-N 2 1 296.499 3.436 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246611466 804444448 /nfs/dbraw/zinc/44/44/48/804444448.db2.gz UBLHBWHMLIZFDM-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246611851 804447443 /nfs/dbraw/zinc/44/74/43/804447443.db2.gz CXSQJSPUCNLKHA-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246611851 804447449 /nfs/dbraw/zinc/44/74/49/804447449.db2.gz CXSQJSPUCNLKHA-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246616546 804451965 /nfs/dbraw/zinc/45/19/65/804451965.db2.gz XCLSUABIFZOMGN-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246618187 804452577 /nfs/dbraw/zinc/45/25/77/804452577.db2.gz JGGLKDMUMKEPQQ-RBUKOAKNSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246618187 804452580 /nfs/dbraw/zinc/45/25/80/804452580.db2.gz JGGLKDMUMKEPQQ-RBUKOAKNSA-N 2 1 284.447 3.070 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](Cc3c(F)cc(F)cc3F)C2)CC1 ZINC001140534442 804453322 /nfs/dbraw/zinc/45/33/22/804453322.db2.gz MLDWSNMKSVZWQD-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(F)cc(F)cc3F)C2)CC1 ZINC001140534442 804453326 /nfs/dbraw/zinc/45/33/26/804453326.db2.gz MLDWSNMKSVZWQD-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246620255 804453609 /nfs/dbraw/zinc/45/36/09/804453609.db2.gz XGBUNGCVJTYWHG-BZSNNMDCSA-N 2 1 295.515 3.151 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246627183 804458549 /nfs/dbraw/zinc/45/85/49/804458549.db2.gz ZLWOJJJBLNTEIC-IAGOWNOFSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246627292 804458614 /nfs/dbraw/zinc/45/86/14/804458614.db2.gz IYAUAUKODYEHLY-CEXWTWQISA-N 2 1 284.447 3.398 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246627648 804459156 /nfs/dbraw/zinc/45/91/56/804459156.db2.gz XXNXRDWJCXNOJL-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP C1CC2(CCCC2)[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246628122 804459161 /nfs/dbraw/zinc/45/91/61/804459161.db2.gz XNJKJEYNNWCXCR-UHFFFAOYSA-N 2 1 262.441 3.317 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631791 804461999 /nfs/dbraw/zinc/46/19/99/804461999.db2.gz SPESOCAVJTZVDF-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632277 804462340 /nfs/dbraw/zinc/46/23/40/804462340.db2.gz WMILCPURZQSEAH-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246632362 804462793 /nfs/dbraw/zinc/46/27/93/804462793.db2.gz UYLOWKNAMIOIQP-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246631768 804462971 /nfs/dbraw/zinc/46/29/71/804462971.db2.gz RWTHUTNHLULPOK-QYZOEREBSA-N 2 1 284.447 3.398 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246632492 804462997 /nfs/dbraw/zinc/46/29/97/804462997.db2.gz VXVJIQMEOTWDSJ-PBHICJAKSA-N 2 1 292.854 3.347 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633938 804463806 /nfs/dbraw/zinc/46/38/06/804463806.db2.gz FRDGSICGLDTGSO-XUWVNRHRSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633938 804463810 /nfs/dbraw/zinc/46/38/10/804463810.db2.gz FRDGSICGLDTGSO-XUWVNRHRSA-N 2 1 252.446 3.131 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633404 804464016 /nfs/dbraw/zinc/46/40/16/804464016.db2.gz DVJRBCGVOWKONX-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633404 804464017 /nfs/dbraw/zinc/46/40/17/804464017.db2.gz DVJRBCGVOWKONX-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634748 804464064 /nfs/dbraw/zinc/46/40/64/804464064.db2.gz ORKKLTSVDLQBGP-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246639516 804467202 /nfs/dbraw/zinc/46/72/02/804467202.db2.gz OYQADMNIFQLSCA-GOSISDBHSA-N 2 1 286.463 3.473 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CC3)CC2)CC[NH2+]1 ZINC001246642136 804468902 /nfs/dbraw/zinc/46/89/02/804468902.db2.gz KUDXSZGYCRHXNR-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246641850 804469023 /nfs/dbraw/zinc/46/90/23/804469023.db2.gz GMTXDHJIHJSMSU-UHFFFAOYSA-N 2 1 282.472 3.190 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644456 804472314 /nfs/dbraw/zinc/47/23/14/804472314.db2.gz QBHRSLKRSURDKU-CVEARBPZSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644456 804472317 /nfs/dbraw/zinc/47/23/17/804472317.db2.gz QBHRSLKRSURDKU-CVEARBPZSA-N 2 1 250.430 3.339 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246646845 804473428 /nfs/dbraw/zinc/47/34/28/804473428.db2.gz OOOBHMZSHRROIV-ADKAHSJRSA-N 2 1 272.436 3.211 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCC13CC[NH2+]CC3)C2 ZINC001246646932 804473878 /nfs/dbraw/zinc/47/38/78/804473878.db2.gz RBZCFYXWHICXMM-KRWDZBQOSA-N 2 1 284.447 3.070 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246647099 804474141 /nfs/dbraw/zinc/47/41/41/804474141.db2.gz HDBNCWOFFACGPM-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2[C@@H]1CCCC2(CCCCC2)C1 ZINC001246646988 804474201 /nfs/dbraw/zinc/47/42/01/804474201.db2.gz PSWICMWRBUDKHA-ISXOHVOVSA-N 2 1 262.441 3.303 20 0 CGADMP C1=CC2(CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c2ccccc21 ZINC001246648931 804476984 /nfs/dbraw/zinc/47/69/84/804476984.db2.gz UPQYFXUZYIACKZ-KRWDZBQOSA-N 2 1 282.431 3.189 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246648850 804477288 /nfs/dbraw/zinc/47/72/88/804477288.db2.gz RUXGSQFCEVQOAW-OAHLLOKOSA-N 2 1 290.426 3.365 20 0 CGADMP C1CC12CCC([N@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246650391 804478340 /nfs/dbraw/zinc/47/83/40/804478340.db2.gz HRJVPLNXBUFDLP-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246651747 804478509 /nfs/dbraw/zinc/47/85/09/804478509.db2.gz ZDAIZRUUDUTFDO-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654691 804480278 /nfs/dbraw/zinc/48/02/78/804480278.db2.gz KSAFTKIERLMSSK-RCCFBDPRSA-N 2 1 272.436 3.067 20 0 CGADMP C1C[C@H]2CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]2C1 ZINC001246655049 804480428 /nfs/dbraw/zinc/48/04/28/804480428.db2.gz JGWSWQXEAJWSKZ-KNXWPPODSA-N 2 1 276.468 3.421 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246659908 804483664 /nfs/dbraw/zinc/48/36/64/804483664.db2.gz ZIANTXWOLAHXIY-IHRRRGAJSA-N 2 1 292.389 3.429 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246660629 804484383 /nfs/dbraw/zinc/48/43/83/804484383.db2.gz DXJUGLKERGKESP-KSZLIROESA-N 2 1 272.436 3.224 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246660629 804484384 /nfs/dbraw/zinc/48/43/84/804484384.db2.gz DXJUGLKERGKESP-KSZLIROESA-N 2 1 272.436 3.224 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246663436 804485339 /nfs/dbraw/zinc/48/53/39/804485339.db2.gz UXWNOOSBGGFVTQ-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246663436 804485342 /nfs/dbraw/zinc/48/53/42/804485342.db2.gz UXWNOOSBGGFVTQ-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246668202 804488299 /nfs/dbraw/zinc/48/82/99/804488299.db2.gz MIKDJHAHRIFYKY-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246675895 804490306 /nfs/dbraw/zinc/49/03/06/804490306.db2.gz YVJKZBVXSAVLCU-SZMVWBNQSA-N 2 1 272.436 3.038 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246676259 804491363 /nfs/dbraw/zinc/49/13/63/804491363.db2.gz DAUIKUWZESIWAY-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CC[C@@H]([N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C1 ZINC001246678742 804492955 /nfs/dbraw/zinc/49/29/55/804492955.db2.gz YMTGMEACUVDQHI-JCHJZTRSSA-N 2 1 284.447 3.397 20 0 CGADMP C1CC12CCC([N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CC2 ZINC001246679456 804493939 /nfs/dbraw/zinc/49/39/39/804493939.db2.gz XSNOKRRXDGTZKY-CVEARBPZSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246679050 804494569 /nfs/dbraw/zinc/49/45/69/804494569.db2.gz RGGHUFMZKWOFHK-ZDUSSCGKSA-N 2 1 296.455 3.238 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246682266 804495503 /nfs/dbraw/zinc/49/55/03/804495503.db2.gz BIDYRABJOGMZDH-IPELMVKDSA-N 2 1 284.447 3.254 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCc3sccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246682989 804495604 /nfs/dbraw/zinc/49/56/04/804495604.db2.gz PIYDCNUWQNMJFJ-ZIAGYGMSSA-N 2 1 278.465 3.415 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCc3sccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246682989 804495610 /nfs/dbraw/zinc/49/56/10/804495610.db2.gz PIYDCNUWQNMJFJ-ZIAGYGMSSA-N 2 1 278.465 3.415 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246683078 804495861 /nfs/dbraw/zinc/49/58/61/804495861.db2.gz YXHUPTNNXLTMLC-LBPRGKRZSA-N 2 1 298.833 3.342 20 0 CGADMP CC(C)[N@@H+](Cc1cc(Cl)ccc1N)C1CCN(C)CC1 ZINC001140719094 804496045 /nfs/dbraw/zinc/49/60/45/804496045.db2.gz OGZLLFZHRSGOIO-UHFFFAOYSA-N 2 1 295.858 3.227 20 0 CGADMP c1cc2c(s1)CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246684829 804496410 /nfs/dbraw/zinc/49/64/10/804496410.db2.gz XQSFVSQEOZNHJJ-UHFFFAOYSA-N 2 1 290.476 3.419 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246686753 804496455 /nfs/dbraw/zinc/49/64/55/804496455.db2.gz SNEFPXABIJKCQH-WNRNVDISSA-N 2 1 294.483 3.044 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246687862 804497996 /nfs/dbraw/zinc/49/79/96/804497996.db2.gz XMCYZOXUYBOEGI-BSDSXHPESA-N 2 1 294.483 3.188 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246695955 804499931 /nfs/dbraw/zinc/49/99/31/804499931.db2.gz UHPJGHBPLZAJOG-NVXWUHKLSA-N 2 1 290.451 3.294 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2)CC[NH2+]1 ZINC001246767286 804501374 /nfs/dbraw/zinc/50/13/74/804501374.db2.gz BHYNCUVRDGZMNI-SJORKVTESA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC001246773528 804504231 /nfs/dbraw/zinc/50/42/31/804504231.db2.gz AGTCSBQRUGSFEO-ROUUACIJSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246773664 804504930 /nfs/dbraw/zinc/50/49/30/804504930.db2.gz BDMMAVOJWVSGMF-OLZOCXBDSA-N 2 1 298.883 3.491 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)[C@@H]1CCCC[NH2+]C1 ZINC001246774785 804505219 /nfs/dbraw/zinc/50/52/19/804505219.db2.gz GTQYBWYCAFPCTO-QGZVFWFLSA-N 2 1 268.404 3.414 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CCCC[NH2+]C1 ZINC001246774785 804505232 /nfs/dbraw/zinc/50/52/32/804505232.db2.gz GTQYBWYCAFPCTO-QGZVFWFLSA-N 2 1 268.404 3.414 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cc1 ZINC001246786675 804511439 /nfs/dbraw/zinc/51/14/39/804511439.db2.gz NDFIOYUAGDSCPM-HNNXBMFYSA-N 2 1 264.800 3.229 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC001246786675 804511446 /nfs/dbraw/zinc/51/14/46/804511446.db2.gz NDFIOYUAGDSCPM-HNNXBMFYSA-N 2 1 264.800 3.229 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)[C@@H]1C ZINC001246788072 804511823 /nfs/dbraw/zinc/51/18/23/804511823.db2.gz HCVWPLYSEUPBOM-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]1C ZINC001246788674 804513013 /nfs/dbraw/zinc/51/30/13/804513013.db2.gz HQUULZYXMGSAKF-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP C1[NH2+]CC12CCC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001246790367 804514014 /nfs/dbraw/zinc/51/40/14/804514014.db2.gz FOGOIAFVLWMCLI-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP Fc1ccccc1[C@H]1CCCC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246791978 804515251 /nfs/dbraw/zinc/51/52/51/804515251.db2.gz ZLJXZBBXPNVDMU-WMLDXEAASA-N 2 1 276.399 3.495 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246793934 804517068 /nfs/dbraw/zinc/51/70/68/804517068.db2.gz FCANEEXTTJESJR-DLBZAZTESA-N 2 1 274.452 3.328 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246798757 804520228 /nfs/dbraw/zinc/52/02/28/804520228.db2.gz RQLJKDYVTQPOJO-CJNGLKHVSA-N 2 1 276.399 3.493 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC001246800723 804521513 /nfs/dbraw/zinc/52/15/13/804521513.db2.gz GICTXJDHGCFUEN-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP c1[nH]c2ccncc2c1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140800945 804521612 /nfs/dbraw/zinc/52/16/12/804521612.db2.gz BQXWZTWSBBVLLV-OLZOCXBDSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2ccncc2c1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140800945 804521614 /nfs/dbraw/zinc/52/16/14/804521614.db2.gz BQXWZTWSBBVLLV-OLZOCXBDSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140800945 804521617 /nfs/dbraw/zinc/52/16/17/804521617.db2.gz BQXWZTWSBBVLLV-OLZOCXBDSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140800945 804521620 /nfs/dbraw/zinc/52/16/20/804521620.db2.gz BQXWZTWSBBVLLV-OLZOCXBDSA-N 2 1 255.365 3.185 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C[C@H](C)[NH2+]1 ZINC001246801239 804521774 /nfs/dbraw/zinc/52/17/74/804521774.db2.gz GJBQCQHAZCOYJH-LXTVHRRPSA-N 2 1 276.399 3.144 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC001246809456 804526351 /nfs/dbraw/zinc/52/63/51/804526351.db2.gz WMZWJRZHJFPXHT-CABCVRRESA-N 2 1 278.465 3.417 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC001246809456 804526356 /nfs/dbraw/zinc/52/63/56/804526356.db2.gz WMZWJRZHJFPXHT-CABCVRRESA-N 2 1 278.465 3.417 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246808981 804526477 /nfs/dbraw/zinc/52/64/77/804526477.db2.gz FLGDJVANQBEYER-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)[C@H](C)C1 ZINC001246810086 804527141 /nfs/dbraw/zinc/52/71/41/804527141.db2.gz MHPNBSLIWIREIJ-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP c1ccc2c(c1)CCC[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246817235 804533541 /nfs/dbraw/zinc/53/35/41/804533541.db2.gz OSJTZEUNPNHIHM-RBUKOAKNSA-N 2 1 284.447 3.357 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246820028 804535359 /nfs/dbraw/zinc/53/53/59/804535359.db2.gz DUMOKPCMQPCHKU-SJLPKXTDSA-N 2 1 288.435 3.364 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246822619 804536661 /nfs/dbraw/zinc/53/66/61/804536661.db2.gz MCQXLQPRPQXWTN-XYPWUTKMSA-N 2 1 278.827 3.097 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccc2Cl)CC[NH2+]1 ZINC001246824115 804537583 /nfs/dbraw/zinc/53/75/83/804537583.db2.gz QCQAWEAGLTYSPE-CABCVRRESA-N 2 1 280.843 3.345 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CCC[C@@H]3CCCC[C@H]31)CC2 ZINC001246832411 804541322 /nfs/dbraw/zinc/54/13/22/804541322.db2.gz GPIPVIFKECOIRL-GOEBONIOSA-N 2 1 262.441 3.173 20 0 CGADMP COCCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCCC(C)(C)C1 ZINC001246836908 804545083 /nfs/dbraw/zinc/54/50/83/804545083.db2.gz PTZHXNHMNGWNKC-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246838721 804545628 /nfs/dbraw/zinc/54/56/28/804545628.db2.gz FGURAKIORCILRY-MIFYACCESA-N 2 1 276.424 3.046 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246840110 804547599 /nfs/dbraw/zinc/54/75/99/804547599.db2.gz FDSNMUXPQIPMIA-XHSDSOJGSA-N 2 1 254.462 3.379 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246843285 804551516 /nfs/dbraw/zinc/55/15/16/804551516.db2.gz FOUYOWDROVSHMZ-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246843467 804552153 /nfs/dbraw/zinc/55/21/53/804552153.db2.gz CNGHZILZQALUPN-SJORKVTESA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844271 804552580 /nfs/dbraw/zinc/55/25/80/804552580.db2.gz YDWLGCRQXGLJLQ-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246846238 804555445 /nfs/dbraw/zinc/55/54/45/804555445.db2.gz NMHYNLTXEOHVFI-HNNXBMFYSA-N 2 1 276.399 3.322 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246846238 804555448 /nfs/dbraw/zinc/55/54/48/804555448.db2.gz NMHYNLTXEOHVFI-HNNXBMFYSA-N 2 1 276.399 3.322 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246846241 804555685 /nfs/dbraw/zinc/55/56/85/804555685.db2.gz NMHYNLTXEOHVFI-OAHLLOKOSA-N 2 1 276.399 3.322 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246846241 804555691 /nfs/dbraw/zinc/55/56/91/804555691.db2.gz NMHYNLTXEOHVFI-OAHLLOKOSA-N 2 1 276.399 3.322 20 0 CGADMP Clc1ccc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246846523 804556556 /nfs/dbraw/zinc/55/65/56/804556556.db2.gz BFBBIOUKDKIGFZ-KTFSGNIMSA-N 2 1 290.838 3.412 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246847591 804557956 /nfs/dbraw/zinc/55/79/56/804557956.db2.gz UWXOZFNSAGNTEM-MELADBBJSA-N 2 1 252.446 3.131 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC2(C)C)CC[NH2+]1 ZINC001246847564 804558005 /nfs/dbraw/zinc/55/80/05/804558005.db2.gz UJKYPQYKQVTHTO-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246854737 804563980 /nfs/dbraw/zinc/56/39/80/804563980.db2.gz RCWOOIYLLLTACP-KZNAEPCWSA-N 2 1 272.436 3.211 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246866289 804570355 /nfs/dbraw/zinc/57/03/55/804570355.db2.gz JABXLEUWAUQPML-DOTOQJQBSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1CC([N@H+]2Cc3ccccc3C(C)(C)C2)C[C@@H](C)[NH2+]1 ZINC001246870534 804570883 /nfs/dbraw/zinc/57/08/83/804570883.db2.gz LUHQXUOJFNOFCV-ZIAGYGMSSA-N 2 1 272.436 3.309 20 0 CGADMP c1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCSCC2)cc1 ZINC001246911841 804594549 /nfs/dbraw/zinc/59/45/49/804594549.db2.gz PDUJZSHSWHEYDE-UHFFFAOYSA-N 2 1 290.476 3.136 20 0 CGADMP CCC[N@@H+](CC(C)C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246911972 804594590 /nfs/dbraw/zinc/59/45/90/804594590.db2.gz PSYDSHVJTFLBKT-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246913289 804596779 /nfs/dbraw/zinc/59/67/79/804596779.db2.gz WCZRLKGCJHBELD-SJLPKXTDSA-N 2 1 290.426 3.222 20 0 CGADMP CC1(C)C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246921152 804602541 /nfs/dbraw/zinc/60/25/41/804602541.db2.gz NTWLYFRAWKUBGU-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246921152 804602543 /nfs/dbraw/zinc/60/25/43/804602543.db2.gz NTWLYFRAWKUBGU-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC001246931965 804607650 /nfs/dbraw/zinc/60/76/50/804607650.db2.gz GDVXFBOMZHMUFI-HOAMVYINSA-N 2 1 292.389 3.413 20 0 CGADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(F)c1 ZINC001141198038 804609563 /nfs/dbraw/zinc/60/95/63/804609563.db2.gz SQVAVOUKYQQCOA-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001246939205 804610418 /nfs/dbraw/zinc/61/04/18/804610418.db2.gz QUXFEEYXRUKQGA-UPTPFMHGSA-N 2 1 288.435 3.060 20 0 CGADMP CCCC1CCC([N@@H+](CC)C[C@@H]2CC[NH2+]C2)CC1 ZINC001246941764 804612749 /nfs/dbraw/zinc/61/27/49/804612749.db2.gz LMGMIXBLGFTJEP-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246946330 804613689 /nfs/dbraw/zinc/61/36/89/804613689.db2.gz LLAWUBIUZFBRSM-INIZCTEOSA-N 3 1 297.531 3.207 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246946330 804613693 /nfs/dbraw/zinc/61/36/93/804613693.db2.gz LLAWUBIUZFBRSM-INIZCTEOSA-N 3 1 297.531 3.207 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246945227 804614800 /nfs/dbraw/zinc/61/48/00/804614800.db2.gz KHGGAUPJSOCFGB-DAWZGUTISA-N 2 1 290.426 3.161 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246963320 804619781 /nfs/dbraw/zinc/61/97/81/804619781.db2.gz ABBKYROKPFMFKX-MSOLQXFVSA-N 2 1 274.452 3.315 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2c(F)cccc2C1 ZINC001246976486 804624329 /nfs/dbraw/zinc/62/43/29/804624329.db2.gz QRPOCFHSDXKGOK-GOEBONIOSA-N 2 1 290.426 3.005 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(OC)c1 ZINC001143163404 804812785 /nfs/dbraw/zinc/81/27/85/804812785.db2.gz FLJFGSHXOBMQMQ-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP Cc1c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1C(F)(F)F ZINC001143930435 804909253 /nfs/dbraw/zinc/90/92/53/804909253.db2.gz QXUCUNYIDZMBQW-OKILXGFUSA-N 2 1 298.352 3.007 20 0 CGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257086023 807048810 /nfs/dbraw/zinc/04/88/10/807048810.db2.gz WOISSRLGNDPSRJ-IZZHAREASA-N 2 1 282.472 3.170 20 0 CGADMP CC(C)c1ccc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]c1 ZINC001155116235 805541473 /nfs/dbraw/zinc/54/14/73/805541473.db2.gz GTLBGGGKOGKVDR-OAHLLOKOSA-N 2 1 265.376 3.099 20 0 CGADMP c1ccc2c(c1)cc[nH+]c2NCc1ccc2c(c1)CC[NH2+]C2 ZINC001155268128 805565424 /nfs/dbraw/zinc/56/54/24/805565424.db2.gz UCIVWTTXTSRJCK-UHFFFAOYSA-N 2 1 289.382 3.493 20 0 CGADMP c1cc(N2CCC([N@H+]3CCC[C@@H]4CCC[C@H]43)CC2)cc[nH+]1 ZINC001256860890 806992626 /nfs/dbraw/zinc/99/26/26/806992626.db2.gz HIUPJGXNKLQSPQ-MAUKXSAKSA-N 2 1 285.435 3.315 20 0 CGADMP C[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256856348 806992774 /nfs/dbraw/zinc/99/27/74/806992774.db2.gz GIGPDILIUIOCBS-HNNXBMFYSA-N 2 1 273.424 3.172 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165432977 807002935 /nfs/dbraw/zinc/00/29/35/807002935.db2.gz VQMIJOYHBFSSRB-CZUORRHYSA-N 2 1 299.393 3.056 20 0 CGADMP CCN(CC[NH+](CC)CC)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256916530 807010640 /nfs/dbraw/zinc/01/06/40/807010640.db2.gz FOLKBRCKGRRQTR-GOSISDBHSA-N 2 1 295.515 3.057 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001257470177 807172781 /nfs/dbraw/zinc/17/27/81/807172781.db2.gz GAIBQQBMZBSTPB-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575819 807208130 /nfs/dbraw/zinc/20/81/30/807208130.db2.gz IDVSDBHWOLIHFI-LSDHHAIUSA-N 2 1 254.462 3.332 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575819 807208135 /nfs/dbraw/zinc/20/81/35/807208135.db2.gz IDVSDBHWOLIHFI-LSDHHAIUSA-N 2 1 254.462 3.332 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575819 807208141 /nfs/dbraw/zinc/20/81/41/807208141.db2.gz IDVSDBHWOLIHFI-LSDHHAIUSA-N 2 1 254.462 3.332 20 0 CGADMP Cc1ccc(C)c(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC001167752402 807241642 /nfs/dbraw/zinc/24/16/42/807241642.db2.gz VBBQMLBKLIXFPE-OAHLLOKOSA-N 2 1 261.413 3.375 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCNc1ccc2[nH]c[nH+]c2c1 ZINC001167753067 807241716 /nfs/dbraw/zinc/24/17/16/807241716.db2.gz BPSWAXISZHKFAC-ZDUSSCGKSA-N 2 1 272.396 3.239 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2[nH]c[nH+]c2c1 ZINC001167753067 807241719 /nfs/dbraw/zinc/24/17/19/807241719.db2.gz BPSWAXISZHKFAC-ZDUSSCGKSA-N 2 1 272.396 3.239 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1NCCC[N@H+]1CCCC[C@H]1C ZINC001167753211 807242647 /nfs/dbraw/zinc/24/26/47/807242647.db2.gz MNGHXDAOOIVFEQ-OAHLLOKOSA-N 2 1 290.455 3.132 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167753211 807242651 /nfs/dbraw/zinc/24/26/51/807242651.db2.gz MNGHXDAOOIVFEQ-OAHLLOKOSA-N 2 1 290.455 3.132 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001167788174 807251641 /nfs/dbraw/zinc/25/16/41/807251641.db2.gz QRWAOCRDSNNFLQ-INIZCTEOSA-N 2 1 296.418 3.003 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@H]2CC[N@H+](C)C2)cc1 ZINC001167788174 807251646 /nfs/dbraw/zinc/25/16/46/807251646.db2.gz QRWAOCRDSNNFLQ-INIZCTEOSA-N 2 1 296.418 3.003 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCO)Cc1cccs1 ZINC001167825617 807256146 /nfs/dbraw/zinc/25/61/46/807256146.db2.gz KTZIVARXJUDCLT-HNNXBMFYSA-N 2 1 298.496 3.053 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001167838161 807259061 /nfs/dbraw/zinc/25/90/61/807259061.db2.gz QYZFZPGNCDPGFV-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccnc1 ZINC001258003848 807263004 /nfs/dbraw/zinc/26/30/04/807263004.db2.gz VWLUCWXKASMHCE-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167897929 807269631 /nfs/dbraw/zinc/26/96/31/807269631.db2.gz OPGPFKKJPMBOKQ-ZSHCYNCHSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC1(F)F ZINC001167985681 807292840 /nfs/dbraw/zinc/29/28/40/807292840.db2.gz ZBVQXONISUUDDX-NTQSIJHJSA-N 2 1 298.421 3.369 20 0 CGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1(F)F ZINC001167985681 807292846 /nfs/dbraw/zinc/29/28/46/807292846.db2.gz ZBVQXONISUUDDX-NTQSIJHJSA-N 2 1 298.421 3.369 20 0 CGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1(F)F ZINC001167985681 807292851 /nfs/dbraw/zinc/29/28/51/807292851.db2.gz ZBVQXONISUUDDX-NTQSIJHJSA-N 2 1 298.421 3.369 20 0 CGADMP C[NH+](CC1CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995343 807294990 /nfs/dbraw/zinc/29/49/90/807294990.db2.gz BTQVSUMAVOWFOF-SJPCQFCGSA-N 2 1 262.441 3.124 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1[C@H]3CC[C@@H]1CCC3)C2 ZINC001168004358 807298342 /nfs/dbraw/zinc/29/83/42/807298342.db2.gz UVZUCVOFXPWUMS-FVGDGBDSSA-N 2 1 274.452 3.409 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1[C@H]3CC[C@@H]1CCC3)C2 ZINC001168004358 807298346 /nfs/dbraw/zinc/29/83/46/807298346.db2.gz UVZUCVOFXPWUMS-FVGDGBDSSA-N 2 1 274.452 3.409 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1[C@H]3CC[C@@H]1CCC3)C2 ZINC001168004358 807298355 /nfs/dbraw/zinc/29/83/55/807298355.db2.gz UVZUCVOFXPWUMS-FVGDGBDSSA-N 2 1 274.452 3.409 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168104243 807313142 /nfs/dbraw/zinc/31/31/42/807313142.db2.gz USCKKCVVDXJYPF-OTRWWLKZSA-N 2 1 280.456 3.068 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1 ZINC001258140436 807318919 /nfs/dbraw/zinc/31/89/19/807318919.db2.gz YANHSFQPAMJJSQ-WSTZPKSXSA-N 2 1 298.474 3.472 20 0 CGADMP C[N@H+](C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC001258141424 807319592 /nfs/dbraw/zinc/31/95/92/807319592.db2.gz HITXMCZJRMCOGT-UHFFFAOYSA-N 2 1 274.452 3.424 20 0 CGADMP C[N@@H+](C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC001258141424 807319601 /nfs/dbraw/zinc/31/96/01/807319601.db2.gz HITXMCZJRMCOGT-UHFFFAOYSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC001258151515 807321115 /nfs/dbraw/zinc/32/11/15/807321115.db2.gz JGPPXRLKEHKQHM-ZMLDCZPUSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]1CC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@H](C)C1 ZINC001258157116 807325091 /nfs/dbraw/zinc/32/50/91/807325091.db2.gz ZOKBCCGNCZZJTM-HUUCEWRRSA-N 3 1 297.531 3.286 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168152513 807327375 /nfs/dbraw/zinc/32/73/75/807327375.db2.gz WKUREULTRJYMQZ-ZDUSSCGKSA-N 2 1 268.832 3.330 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCCC3(CCC3)C2)CC1 ZINC001168328480 807386383 /nfs/dbraw/zinc/38/63/83/807386383.db2.gz ICCZWQSVXZWNEI-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258276581 807389186 /nfs/dbraw/zinc/38/91/86/807389186.db2.gz QFLGJTRIZUQWAF-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168371560 807397520 /nfs/dbraw/zinc/39/75/20/807397520.db2.gz OEEROWZSVCFALK-OKILXGFUSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168371560 807397527 /nfs/dbraw/zinc/39/75/27/807397527.db2.gz OEEROWZSVCFALK-OKILXGFUSA-N 2 1 250.430 3.124 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001258321152 807408913 /nfs/dbraw/zinc/40/89/13/807408913.db2.gz HWJRUUYBZVGRDH-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP CC[C@@H](C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1)OC ZINC001168414743 807409040 /nfs/dbraw/zinc/40/90/40/807409040.db2.gz SKPOKOUGXIPZCP-SFHVURJKSA-N 2 1 298.515 3.491 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001258337760 807417824 /nfs/dbraw/zinc/41/78/24/807417824.db2.gz OPYGIQZSLDAERF-CQSZACIVSA-N 2 1 296.524 3.324 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001258337760 807417826 /nfs/dbraw/zinc/41/78/26/807417826.db2.gz OPYGIQZSLDAERF-CQSZACIVSA-N 2 1 296.524 3.324 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)CC(C)(C)SC)CC1 ZINC001258342374 807418373 /nfs/dbraw/zinc/41/83/73/807418373.db2.gz WEVAIVZBDORBLH-ZDUSSCGKSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CC(C)(C)SC)CC1 ZINC001258342374 807418375 /nfs/dbraw/zinc/41/83/75/807418375.db2.gz WEVAIVZBDORBLH-ZDUSSCGKSA-N 2 1 272.502 3.323 20 0 CGADMP CCCCC[C@@H](CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258442112 807453256 /nfs/dbraw/zinc/45/32/56/807453256.db2.gz VTBRSSVILKKPCP-OAHLLOKOSA-N 2 1 295.471 3.475 20 0 CGADMP CCCCC[C@H](CC)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258444437 807453996 /nfs/dbraw/zinc/45/39/96/807453996.db2.gz XCTJZLQBBXKXRM-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258444437 807453987 /nfs/dbraw/zinc/45/39/87/807453987.db2.gz XCTJZLQBBXKXRM-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[C@H](CC)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258444437 807453991 /nfs/dbraw/zinc/45/39/91/807453991.db2.gz XCTJZLQBBXKXRM-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@H](CC1CC1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258460957 807464557 /nfs/dbraw/zinc/46/45/57/807464557.db2.gz MJOPWDYDKVGSFW-GDBMZVCRSA-N 2 1 294.483 3.187 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168745836 807504365 /nfs/dbraw/zinc/50/43/65/807504365.db2.gz ZFWSRUIBAHKIFQ-AWEZNQCLSA-N 2 1 280.843 3.081 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001169049506 807560313 /nfs/dbraw/zinc/56/03/13/807560313.db2.gz ITHYCYLNAKCPOJ-QZTJIDSGSA-N 2 1 274.452 3.185 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC001169080373 807569729 /nfs/dbraw/zinc/56/97/29/807569729.db2.gz MWJQCKIWMWTBQQ-XMTFNYHQSA-N 2 1 270.420 3.353 20 0 CGADMP Cc1c(CC[NH3+])c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169095969 807574239 /nfs/dbraw/zinc/57/42/39/807574239.db2.gz SXNIHIFIFYMJLS-ZSHCYNCHSA-N 2 1 297.446 3.249 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001169098068 807575796 /nfs/dbraw/zinc/57/57/96/807575796.db2.gz FJKMEQIABAAYFO-DMRZNYOFSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099910 807576252 /nfs/dbraw/zinc/57/62/52/807576252.db2.gz WPWGBSPICNBPGO-FPCVCCKLSA-N 2 1 252.446 3.416 20 0 CGADMP CCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001169101097 807576811 /nfs/dbraw/zinc/57/68/11/807576811.db2.gz OIXYRDYDVURLCS-QDMKHBRRSA-N 2 1 250.430 3.314 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001169099328 807576871 /nfs/dbraw/zinc/57/68/71/807576871.db2.gz PYNOWXYHVRWECN-CUSZFKRNSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169099328 807576874 /nfs/dbraw/zinc/57/68/74/807576874.db2.gz PYNOWXYHVRWECN-CUSZFKRNSA-N 2 1 285.435 3.056 20 0 CGADMP COc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169111197 807581389 /nfs/dbraw/zinc/58/13/89/807581389.db2.gz OCJXXHGNHQOSCB-OSYLJGHBSA-N 2 1 288.435 3.027 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169109522 807581522 /nfs/dbraw/zinc/58/15/22/807581522.db2.gz CHROIXHAZUWLLI-MXASKKJJSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C2 ZINC001169118052 807583777 /nfs/dbraw/zinc/58/37/77/807583777.db2.gz CKWPPPDQNXEKJT-YIYPIFLZSA-N 2 1 272.383 3.027 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169143505 807590442 /nfs/dbraw/zinc/59/04/42/807590442.db2.gz FSDDFIQGBYWPQV-PIIMJCKOSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169143505 807590449 /nfs/dbraw/zinc/59/04/49/807590449.db2.gz FSDDFIQGBYWPQV-PIIMJCKOSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169143505 807590455 /nfs/dbraw/zinc/59/04/55/807590455.db2.gz FSDDFIQGBYWPQV-PIIMJCKOSA-N 2 1 272.436 3.306 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCc3ccccc3C1)C2 ZINC001169142812 807590756 /nfs/dbraw/zinc/59/07/56/807590756.db2.gz WDRVXDQEFQRORY-BCDXTJNWSA-N 2 1 270.420 3.060 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCc3ccccc3C1)C2 ZINC001169142812 807590762 /nfs/dbraw/zinc/59/07/62/807590762.db2.gz WDRVXDQEFQRORY-BCDXTJNWSA-N 2 1 270.420 3.060 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCc3ccccc3C1)C2 ZINC001169142812 807590765 /nfs/dbraw/zinc/59/07/65/807590765.db2.gz WDRVXDQEFQRORY-BCDXTJNWSA-N 2 1 270.420 3.060 20 0 CGADMP COc1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1C ZINC001169154324 807595763 /nfs/dbraw/zinc/59/57/63/807595763.db2.gz WSZZRAXVEMFIRW-GUYCJALGSA-N 2 1 291.439 3.354 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155482 807596506 /nfs/dbraw/zinc/59/65/06/807596506.db2.gz PMRGMVJLYYPIIR-BJWYYQGGSA-N 2 1 284.447 3.405 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155482 807596510 /nfs/dbraw/zinc/59/65/10/807596510.db2.gz PMRGMVJLYYPIIR-BJWYYQGGSA-N 2 1 284.447 3.405 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155482 807596514 /nfs/dbraw/zinc/59/65/14/807596514.db2.gz PMRGMVJLYYPIIR-BJWYYQGGSA-N 2 1 284.447 3.405 20 0 CGADMP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258756784 807596878 /nfs/dbraw/zinc/59/68/78/807596878.db2.gz VLGWSPQYJFYTIY-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP CC[NH+]1CCC([N@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC001169245983 807614300 /nfs/dbraw/zinc/61/43/00/807614300.db2.gz LDGDSLIUTIKBQO-AWEZNQCLSA-N 2 1 258.409 3.090 20 0 CGADMP CC[NH+]1CCC([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC001169245983 807614303 /nfs/dbraw/zinc/61/43/03/807614303.db2.gz LDGDSLIUTIKBQO-AWEZNQCLSA-N 2 1 258.409 3.090 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](CC)C[C@@H](C)CC)C[C@@H]2C1 ZINC001258797122 807619522 /nfs/dbraw/zinc/61/95/22/807619522.db2.gz JMHOIPPSLWASAS-MWDXBVQZSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](CC)C[C@@H](C)CC)C[C@@H]2C1 ZINC001258797122 807619523 /nfs/dbraw/zinc/61/95/23/807619523.db2.gz JMHOIPPSLWASAS-MWDXBVQZSA-N 2 1 266.473 3.475 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C1CCC(C(C)C)CC1 ZINC001258806311 807626533 /nfs/dbraw/zinc/62/65/33/807626533.db2.gz RHUOBKTXVLRDAE-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001258907140 807672546 /nfs/dbraw/zinc/67/25/46/807672546.db2.gz GMWCYDVUQFNDLO-BBWFWOEESA-N 2 1 294.483 3.331 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC001258907645 807672767 /nfs/dbraw/zinc/67/27/67/807672767.db2.gz LSBFDMRIHCJBGA-LSDHHAIUSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001258910969 807673905 /nfs/dbraw/zinc/67/39/05/807673905.db2.gz YASKSROYFFVDTQ-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP C[NH+](C)CCC(C)(C)Nc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001169717343 807696270 /nfs/dbraw/zinc/69/62/70/807696270.db2.gz BIICBKJSSLMMHF-MRXNPFEDSA-N 2 1 289.467 3.248 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170158449 807780336 /nfs/dbraw/zinc/78/03/36/807780336.db2.gz OPYLHMZSZQAIEB-KANFNMMFSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170158449 807780340 /nfs/dbraw/zinc/78/03/40/807780340.db2.gz OPYLHMZSZQAIEB-KANFNMMFSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170158449 807780341 /nfs/dbraw/zinc/78/03/41/807780341.db2.gz OPYLHMZSZQAIEB-KANFNMMFSA-N 2 1 284.447 3.239 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192752 807790625 /nfs/dbraw/zinc/79/06/25/807790625.db2.gz KFMXOHQQCQYQOL-QSPRXWTASA-N 2 1 280.456 3.068 20 0 CGADMP Cc1cccc(N([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001170766884 807904290 /nfs/dbraw/zinc/90/42/90/807904290.db2.gz QCFFMEIXFDGNAF-BJWYYQGGSA-N 2 1 299.462 3.383 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171011367 807958774 /nfs/dbraw/zinc/95/87/74/807958774.db2.gz CVLYGRXMTDRYIG-CYBMUJFWSA-N 2 1 289.810 3.076 20 0 CGADMP CCC[NH+](CCC)CC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171395886 808045804 /nfs/dbraw/zinc/04/58/04/808045804.db2.gz IXRIDLNMGPJHMR-MRXNPFEDSA-N 2 1 292.442 3.395 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]CCC[NH+]2CCCCC2)CC1(C)C ZINC001171623087 808106847 /nfs/dbraw/zinc/10/68/47/808106847.db2.gz JYURGCZTRAFGTO-UHFFFAOYSA-N 3 1 295.515 3.103 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC1(C)C ZINC001171631225 808107723 /nfs/dbraw/zinc/10/77/23/808107723.db2.gz GJNOPDBTJIFMFL-GOEBONIOSA-N 2 1 294.483 3.139 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CCc1ccc(C)cc1 ZINC001171657074 808112609 /nfs/dbraw/zinc/11/26/09/808112609.db2.gz AHYFSYKELXJAKY-AWEZNQCLSA-N 2 1 271.408 3.195 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171681968 808122874 /nfs/dbraw/zinc/12/28/74/808122874.db2.gz PMODQSBYXZMLGP-YTQUADARSA-N 2 1 286.463 3.200 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171681968 808122876 /nfs/dbraw/zinc/12/28/76/808122876.db2.gz PMODQSBYXZMLGP-YTQUADARSA-N 2 1 286.463 3.200 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171681968 808122878 /nfs/dbraw/zinc/12/28/78/808122878.db2.gz PMODQSBYXZMLGP-YTQUADARSA-N 2 1 286.463 3.200 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(F)(F)CC1)C2 ZINC001172099340 808171430 /nfs/dbraw/zinc/17/14/30/808171430.db2.gz JKODKOSNLAGUDG-BTTYYORXSA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(F)(F)CC1)C2 ZINC001172099340 808171436 /nfs/dbraw/zinc/17/14/36/808171436.db2.gz JKODKOSNLAGUDG-BTTYYORXSA-N 2 1 272.383 3.169 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172101882 808172586 /nfs/dbraw/zinc/17/25/86/808172586.db2.gz CMMADHOUCNTDDQ-YYQUZTFQSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172101882 808172589 /nfs/dbraw/zinc/17/25/89/808172589.db2.gz CMMADHOUCNTDDQ-YYQUZTFQSA-N 2 1 276.399 3.492 20 0 CGADMP Cn1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172099976 808172602 /nfs/dbraw/zinc/17/26/02/808172602.db2.gz NYOJNNKKOHHNSM-OSYLJGHBSA-N 2 1 297.446 3.283 20 0 CGADMP CCC[N@H+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112921 808178690 /nfs/dbraw/zinc/17/86/90/808178690.db2.gz GUAPXWLGOFAZSL-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112921 808178696 /nfs/dbraw/zinc/17/86/96/808178696.db2.gz GUAPXWLGOFAZSL-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[NH+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112921 808178701 /nfs/dbraw/zinc/17/87/01/808178701.db2.gz GUAPXWLGOFAZSL-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[NH+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112921 808178706 /nfs/dbraw/zinc/17/87/06/808178706.db2.gz GUAPXWLGOFAZSL-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc3cnccc31)C2 ZINC001172108913 808178905 /nfs/dbraw/zinc/17/89/05/808178905.db2.gz ABCZNXYLCFUUQU-NNZMDNLPSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC13CCC3)C2 ZINC001172109150 808179146 /nfs/dbraw/zinc/17/91/46/808179146.db2.gz BRNKPBCHVKIGDS-JONQDZQNSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC13CCC3)C2 ZINC001172109150 808179150 /nfs/dbraw/zinc/17/91/50/808179150.db2.gz BRNKPBCHVKIGDS-JONQDZQNSA-N 2 1 262.441 3.314 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001172115755 808180176 /nfs/dbraw/zinc/18/01/76/808180176.db2.gz AAHVLIZECFJKBA-ALYAQQCSSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001172115755 808180178 /nfs/dbraw/zinc/18/01/78/808180178.db2.gz AAHVLIZECFJKBA-ALYAQQCSSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001172115755 808180181 /nfs/dbraw/zinc/18/01/81/808180181.db2.gz AAHVLIZECFJKBA-ALYAQQCSSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172115755 808180184 /nfs/dbraw/zinc/18/01/84/808180184.db2.gz AAHVLIZECFJKBA-ALYAQQCSSA-N 2 1 264.457 3.370 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccc(F)cc3C1)C2 ZINC001172121053 808183293 /nfs/dbraw/zinc/18/32/93/808183293.db2.gz BVZHCVNZOLGCNH-BJWYYQGGSA-N 2 1 274.383 3.157 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccc(F)cc3C1)C2 ZINC001172121053 808183295 /nfs/dbraw/zinc/18/32/95/808183295.db2.gz BVZHCVNZOLGCNH-BJWYYQGGSA-N 2 1 274.383 3.157 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccc(F)cc3C1)C2 ZINC001172121053 808183298 /nfs/dbraw/zinc/18/32/98/808183298.db2.gz BVZHCVNZOLGCNH-BJWYYQGGSA-N 2 1 274.383 3.157 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001172121947 808183998 /nfs/dbraw/zinc/18/39/98/808183998.db2.gz NQRWALQGBJQDOV-YIYPIFLZSA-N 2 1 290.373 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001172121947 808184004 /nfs/dbraw/zinc/18/40/04/808184004.db2.gz NQRWALQGBJQDOV-YIYPIFLZSA-N 2 1 290.373 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001172121947 808184010 /nfs/dbraw/zinc/18/40/10/808184010.db2.gz NQRWALQGBJQDOV-YIYPIFLZSA-N 2 1 290.373 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001172121947 808184015 /nfs/dbraw/zinc/18/40/15/808184015.db2.gz NQRWALQGBJQDOV-YIYPIFLZSA-N 2 1 290.373 3.276 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccncc1)C2 ZINC001172120847 808184183 /nfs/dbraw/zinc/18/41/83/808184183.db2.gz GJBRHUBYUUAQSF-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccncc1)C2 ZINC001172120847 808184187 /nfs/dbraw/zinc/18/41/87/808184187.db2.gz GJBRHUBYUUAQSF-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1ccncc1)C2 ZINC001172120847 808184190 /nfs/dbraw/zinc/18/41/90/808184190.db2.gz GJBRHUBYUUAQSF-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1ccncc1)C2 ZINC001172120847 808184192 /nfs/dbraw/zinc/18/41/92/808184192.db2.gz GJBRHUBYUUAQSF-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)CCO[C@@H](C)CC ZINC001172348812 808247094 /nfs/dbraw/zinc/24/70/94/808247094.db2.gz ROXXWUPOZHJKBU-CVEARBPZSA-N 2 1 272.477 3.244 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172351993 808249648 /nfs/dbraw/zinc/24/96/48/808249648.db2.gz FHKSAAFLRDVDSR-UONOGXRCSA-N 2 1 279.428 3.116 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001172367253 808262069 /nfs/dbraw/zinc/26/20/69/808262069.db2.gz KVEACMOBCXWVTB-DBHDPKECSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172367253 808262073 /nfs/dbraw/zinc/26/20/73/808262073.db2.gz KVEACMOBCXWVTB-DBHDPKECSA-N 2 1 264.457 3.416 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([NH+]3CCC([NH+]4CCC4)CC3)C2)cc1 ZINC001172565715 808392039 /nfs/dbraw/zinc/39/20/39/808392039.db2.gz MAJFTCGUWMREKH-MJGOQNOKSA-N 2 1 284.447 3.493 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)CC2 ZINC001172843878 808457573 /nfs/dbraw/zinc/45/75/73/808457573.db2.gz QJSLHHDITNFCPQ-IBGZPJMESA-N 2 1 298.474 3.270 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001172941219 808490115 /nfs/dbraw/zinc/49/01/15/808490115.db2.gz DNNNFXKEYIBQAO-WNRNVDISSA-N 2 1 294.483 3.283 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001172941219 808490119 /nfs/dbraw/zinc/49/01/19/808490119.db2.gz DNNNFXKEYIBQAO-WNRNVDISSA-N 2 1 294.483 3.283 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001172941219 808490122 /nfs/dbraw/zinc/49/01/22/808490122.db2.gz DNNNFXKEYIBQAO-WNRNVDISSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC001173108595 808512519 /nfs/dbraw/zinc/51/25/19/808512519.db2.gz OQZYSMFMAKJONG-BFWZDYSYSA-N 2 1 294.483 3.140 20 0 CGADMP CCSC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001173311561 808606276 /nfs/dbraw/zinc/60/62/76/808606276.db2.gz MOJJGEDJZHIXAM-JYJNAYRXSA-N 2 1 284.513 3.467 20 0 CGADMP CCSC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001173311561 808606281 /nfs/dbraw/zinc/60/62/81/808606281.db2.gz MOJJGEDJZHIXAM-JYJNAYRXSA-N 2 1 284.513 3.467 20 0 CGADMP CCSC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001173311561 808606286 /nfs/dbraw/zinc/60/62/86/808606286.db2.gz MOJJGEDJZHIXAM-JYJNAYRXSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173338491 808618436 /nfs/dbraw/zinc/61/84/36/808618436.db2.gz AOOSFMMRXMSYAO-LSDHHAIUSA-N 2 1 252.446 3.406 20 0 CGADMP CC[N@H+]1CC[C@H](n2c([C@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001173366045 808632385 /nfs/dbraw/zinc/63/23/85/808632385.db2.gz VTWGJWRDTMOIQW-JKSUJKDBSA-N 2 1 283.419 3.333 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173685669 808664206 /nfs/dbraw/zinc/66/42/06/808664206.db2.gz ZZLGKRPTLUTHOI-DMKPSLHHSA-N 2 1 286.463 3.340 20 0 CGADMP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275062128 808903541 /nfs/dbraw/zinc/90/35/41/808903541.db2.gz POZWQLFVCSQRJT-SJLPKXTDSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275062128 808903547 /nfs/dbraw/zinc/90/35/47/808903547.db2.gz POZWQLFVCSQRJT-SJLPKXTDSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275062128 808903553 /nfs/dbraw/zinc/90/35/53/808903553.db2.gz POZWQLFVCSQRJT-SJLPKXTDSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275062128 808903560 /nfs/dbraw/zinc/90/35/60/808903560.db2.gz POZWQLFVCSQRJT-SJLPKXTDSA-N 2 1 289.467 3.349 20 0 CGADMP CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc4ccccc4[nH]3)(C1)CCC2 ZINC001275084728 808904347 /nfs/dbraw/zinc/90/43/47/808904347.db2.gz CQUQUGFKAOWHBB-ZWKOTPCHSA-N 2 1 298.434 3.107 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001275767379 808963653 /nfs/dbraw/zinc/96/36/53/808963653.db2.gz AKYKYXOZCXUDFG-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001275767379 808963656 /nfs/dbraw/zinc/96/36/56/808963656.db2.gz AKYKYXOZCXUDFG-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001275767379 808963661 /nfs/dbraw/zinc/96/36/61/808963661.db2.gz AKYKYXOZCXUDFG-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP CCOc1ccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001275841492 808970982 /nfs/dbraw/zinc/97/09/82/808970982.db2.gz VJJHHMSKZOPSNV-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001275841492 808970984 /nfs/dbraw/zinc/97/09/84/808970984.db2.gz VJJHHMSKZOPSNV-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001275841492 808970987 /nfs/dbraw/zinc/97/09/87/808970987.db2.gz VJJHHMSKZOPSNV-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001275841492 808970988 /nfs/dbraw/zinc/97/09/88/808970988.db2.gz VJJHHMSKZOPSNV-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccnc4ccccc34)C[C@H]2CC1 ZINC001275891178 808974171 /nfs/dbraw/zinc/97/41/71/808974171.db2.gz SBUDHZFBURJARG-IYBDPMFKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@H]2CC1 ZINC001275891178 808974173 /nfs/dbraw/zinc/97/41/73/808974173.db2.gz SBUDHZFBURJARG-IYBDPMFKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@H]2CC1 ZINC001275891178 808974178 /nfs/dbraw/zinc/97/41/78/808974178.db2.gz SBUDHZFBURJARG-IYBDPMFKSA-N 2 1 295.430 3.008 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CC3Cc4ccccc4C3)CC2)C1 ZINC001276003979 808983570 /nfs/dbraw/zinc/98/35/70/808983570.db2.gz VEIZNZVCKGZMKV-UHFFFAOYSA-N 2 1 298.474 3.209 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276031119 808984946 /nfs/dbraw/zinc/98/49/46/808984946.db2.gz HDQBMUMZSFOFFL-JKSUJKDBSA-N 2 1 276.468 3.373 20 0 CGADMP Cc1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001174393186 808992594 /nfs/dbraw/zinc/99/25/94/808992594.db2.gz SXXPQGWSAQMRSR-UHFFFAOYSA-N 2 1 279.387 3.014 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]2CC1 ZINC001276293384 808999020 /nfs/dbraw/zinc/99/90/20/808999020.db2.gz ALAYFZGHDFTJFV-OKILXGFUSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]2CC1 ZINC001276293384 808999024 /nfs/dbraw/zinc/99/90/24/808999024.db2.gz ALAYFZGHDFTJFV-OKILXGFUSA-N 2 1 296.817 3.253 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276521974 809013942 /nfs/dbraw/zinc/01/39/42/809013942.db2.gz DIBVAAFUHBSOMA-YIEVGGLXSA-N 2 1 250.430 3.151 20 0 CGADMP CC/C=C\CC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276521974 809013949 /nfs/dbraw/zinc/01/39/49/809013949.db2.gz DIBVAAFUHBSOMA-YIEVGGLXSA-N 2 1 250.430 3.151 20 0 CGADMP CC/C=C\CC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276521974 809013957 /nfs/dbraw/zinc/01/39/57/809013957.db2.gz DIBVAAFUHBSOMA-YIEVGGLXSA-N 2 1 250.430 3.151 20 0 CGADMP CC(C)CCC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276527700 809014233 /nfs/dbraw/zinc/01/42/33/809014233.db2.gz WRGBXBHMFASGKV-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCc1cccc(Cl)c1)CC2 ZINC001276703825 809025177 /nfs/dbraw/zinc/02/51/77/809025177.db2.gz SRUKCASJQASBSK-UHFFFAOYSA-N 2 1 292.854 3.300 20 0 CGADMP Cc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c[nH]c2c1 ZINC001276753893 809028826 /nfs/dbraw/zinc/02/88/26/809028826.db2.gz PWIHNJVDWUKPKD-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c[nH]c2c1 ZINC001276753893 809028835 /nfs/dbraw/zinc/02/88/35/809028835.db2.gz PWIHNJVDWUKPKD-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c[nH]c2c1 ZINC001276753893 809028841 /nfs/dbraw/zinc/02/88/41/809028841.db2.gz PWIHNJVDWUKPKD-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc4c3CCC4)C2)C1 ZINC001277478206 809076778 /nfs/dbraw/zinc/07/67/78/809076778.db2.gz FUBQKUNPPCSMBK-HXUWFJFHSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc4c3CCC4)C2)C1 ZINC001277478206 809076783 /nfs/dbraw/zinc/07/67/83/809076783.db2.gz FUBQKUNPPCSMBK-HXUWFJFHSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc4c3CCC4)C2)C1 ZINC001277478206 809076790 /nfs/dbraw/zinc/07/67/90/809076790.db2.gz FUBQKUNPPCSMBK-HXUWFJFHSA-N 2 1 298.474 3.483 20 0 CGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001277958826 809108501 /nfs/dbraw/zinc/10/85/01/809108501.db2.gz NDTRXVZXEMYRIZ-CIQAELJKSA-N 2 1 296.499 3.169 20 0 CGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001277958827 809108627 /nfs/dbraw/zinc/10/86/27/809108627.db2.gz NDTRXVZXEMYRIZ-DUQJVZAFSA-N 2 1 296.499 3.169 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC001177742468 809818687 /nfs/dbraw/zinc/81/86/87/809818687.db2.gz IVOTWUPHYQFRHK-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(C)c1 ZINC001179082364 809903391 /nfs/dbraw/zinc/90/33/91/809903391.db2.gz XYKNGVKHNRFKRC-UHFFFAOYSA-N 2 1 278.440 3.071 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001179818567 809948600 /nfs/dbraw/zinc/94/86/00/809948600.db2.gz YXDIOOQHEMUNBU-SQWLQELKSA-N 2 1 278.827 3.078 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906267 809956851 /nfs/dbraw/zinc/95/68/51/809956851.db2.gz WHGSBDPGWINSIR-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906267 809956856 /nfs/dbraw/zinc/95/68/56/809956856.db2.gz WHGSBDPGWINSIR-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906267 809956859 /nfs/dbraw/zinc/95/68/59/809956859.db2.gz WHGSBDPGWINSIR-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)C2)cc1 ZINC001181349928 810048353 /nfs/dbraw/zinc/04/83/53/810048353.db2.gz OAYQLWHONYLMGJ-CADBVGFASA-N 2 1 284.447 3.287 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)s1 ZINC001184064774 810176648 /nfs/dbraw/zinc/17/66/48/810176648.db2.gz FRNNNFFRRAFATR-CJNGLKHVSA-N 2 1 278.465 3.084 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)s1 ZINC001184064774 810176649 /nfs/dbraw/zinc/17/66/49/810176649.db2.gz FRNNNFFRRAFATR-CJNGLKHVSA-N 2 1 278.465 3.084 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)s1 ZINC001184064774 810176650 /nfs/dbraw/zinc/17/66/50/810176650.db2.gz FRNNNFFRRAFATR-CJNGLKHVSA-N 2 1 278.465 3.084 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)s1 ZINC001184064774 810176651 /nfs/dbraw/zinc/17/66/51/810176651.db2.gz FRNNNFFRRAFATR-CJNGLKHVSA-N 2 1 278.465 3.084 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC23CCC(CC2)C3)[C@@H](C)C1 ZINC001191601960 810727470 /nfs/dbraw/zinc/72/74/70/810727470.db2.gz SUZXXAPXTYDUDQ-SOEBMCCKSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC23CCC(CC2)C3)[C@@H](C)C1 ZINC001191601960 810727472 /nfs/dbraw/zinc/72/74/72/810727472.db2.gz SUZXXAPXTYDUDQ-SOEBMCCKSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC23CCC(CC2)C3)[C@@H](C)C1 ZINC001191601960 810727475 /nfs/dbraw/zinc/72/74/75/810727475.db2.gz SUZXXAPXTYDUDQ-SOEBMCCKSA-N 2 1 264.457 3.229 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCC[C@@H](C)C1 ZINC001194715140 811114490 /nfs/dbraw/zinc/11/44/90/811114490.db2.gz MKAZZRUQEIBDQO-FGTMMUONSA-N 2 1 298.515 3.368 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCC[C@@H](C)C1 ZINC001194715140 811114499 /nfs/dbraw/zinc/11/44/99/811114499.db2.gz MKAZZRUQEIBDQO-FGTMMUONSA-N 2 1 298.515 3.368 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCC[C@@H](C)C1 ZINC001194715140 811114506 /nfs/dbraw/zinc/11/45/06/811114506.db2.gz MKAZZRUQEIBDQO-FGTMMUONSA-N 2 1 298.515 3.368 20 0 CGADMP C[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)CC(C)(C)C ZINC001196489699 811349408 /nfs/dbraw/zinc/34/94/08/811349408.db2.gz SGMOHOPBTVMEPK-JKSUJKDBSA-N 2 1 284.488 3.101 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001197031466 811391763 /nfs/dbraw/zinc/39/17/63/811391763.db2.gz KSYLLNOBSYCBOP-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001197031466 811391774 /nfs/dbraw/zinc/39/17/74/811391774.db2.gz KSYLLNOBSYCBOP-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001197031466 811391783 /nfs/dbraw/zinc/39/17/83/811391783.db2.gz KSYLLNOBSYCBOP-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001197031466 811391792 /nfs/dbraw/zinc/39/17/92/811391792.db2.gz KSYLLNOBSYCBOP-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001199402990 811575748 /nfs/dbraw/zinc/57/57/48/811575748.db2.gz BWJFMPLQQJGCNI-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001200356095 811680684 /nfs/dbraw/zinc/68/06/84/811680684.db2.gz POWPYGCVHUHOHO-WMZOPIPTSA-N 2 1 274.452 3.187 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201510317 811874870 /nfs/dbraw/zinc/87/48/70/811874870.db2.gz ZPFCLAQXBSGILF-SOUVJXGZSA-N 2 1 293.480 3.085 20 0 CGADMP CCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001201637890 811927525 /nfs/dbraw/zinc/92/75/25/811927525.db2.gz DGNFTAMLTGKAGF-UHFFFAOYSA-N 2 1 278.465 3.446 20 0 CGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC001201951310 811981218 /nfs/dbraw/zinc/98/12/18/811981218.db2.gz CCUISLBMRFDBJV-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC001201951310 811981221 /nfs/dbraw/zinc/98/12/21/811981221.db2.gz CCUISLBMRFDBJV-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC001201951310 811981227 /nfs/dbraw/zinc/98/12/27/811981227.db2.gz CCUISLBMRFDBJV-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](CC3CCC3)CC1)C2 ZINC001202763258 812168806 /nfs/dbraw/zinc/16/88/06/812168806.db2.gz XOBLMZYUWSEHES-UHFFFAOYSA-N 2 1 284.447 3.309 20 0 CGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](CC3CCC3)CC1)C2 ZINC001202763258 812168809 /nfs/dbraw/zinc/16/88/09/812168809.db2.gz XOBLMZYUWSEHES-UHFFFAOYSA-N 2 1 284.447 3.309 20 0 CGADMP CSC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCCCC1 ZINC001203697613 812430556 /nfs/dbraw/zinc/43/05/56/812430556.db2.gz DBMPKLLVGFMTJU-UHFFFAOYSA-N 2 1 293.480 3.303 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(O)cc1 ZINC001204095755 812547967 /nfs/dbraw/zinc/54/79/67/812547967.db2.gz FDFBUGOMIVNKCH-DLBZAZTESA-N 2 1 288.435 3.231 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1 ZINC001204095755 812547973 /nfs/dbraw/zinc/54/79/73/812547973.db2.gz FDFBUGOMIVNKCH-DLBZAZTESA-N 2 1 288.435 3.231 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1 ZINC001204095755 812547977 /nfs/dbraw/zinc/54/79/77/812547977.db2.gz FDFBUGOMIVNKCH-DLBZAZTESA-N 2 1 288.435 3.231 20 0 CGADMP CC[N@@H+](Cc1ccc(OC(C)C)cc1)C1CCN(C)CC1 ZINC001204454672 812643565 /nfs/dbraw/zinc/64/35/65/812643565.db2.gz FJQDGIWJNOOILT-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@H+](C[C@H]1[C@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001204599263 812685950 /nfs/dbraw/zinc/68/59/50/812685950.db2.gz VCAUMTJCICIKOK-OCCSQVGLSA-N 2 1 274.399 3.132 20 0 CGADMP CC[N@@H+](C[C@H]1[C@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001204599263 812685953 /nfs/dbraw/zinc/68/59/53/812685953.db2.gz VCAUMTJCICIKOK-OCCSQVGLSA-N 2 1 274.399 3.132 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734980 812719747 /nfs/dbraw/zinc/71/97/47/812719747.db2.gz IFBWXDJORXTPAG-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204877389 812759957 /nfs/dbraw/zinc/75/99/57/812759957.db2.gz IGMUBPCDMASGRU-CABCVRRESA-N 2 1 270.461 3.031 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204877389 812759961 /nfs/dbraw/zinc/75/99/61/812759961.db2.gz IGMUBPCDMASGRU-CABCVRRESA-N 2 1 270.461 3.031 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001204938890 812786610 /nfs/dbraw/zinc/78/66/10/812786610.db2.gz OILJQSQYMUFWLZ-BMFZPTHFSA-N 2 1 278.827 3.257 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001204938890 812786616 /nfs/dbraw/zinc/78/66/16/812786616.db2.gz OILJQSQYMUFWLZ-BMFZPTHFSA-N 2 1 278.827 3.257 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H]2CC=C(C)C2(C)C)C1 ZINC001205000801 812818597 /nfs/dbraw/zinc/81/85/97/812818597.db2.gz KSWMZTNJBKFVNJ-JKSUJKDBSA-N 2 1 264.457 3.300 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@H]([NH3+])CC2)C1(C)C ZINC001205088723 812857633 /nfs/dbraw/zinc/85/76/33/812857633.db2.gz RPSSSGXSHUXFRL-LSDHHAIUSA-N 2 1 250.430 3.182 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205094714 812860125 /nfs/dbraw/zinc/86/01/25/812860125.db2.gz OKCSYHRPJGVIDI-MRXNPFEDSA-N 2 1 260.425 3.297 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2c(Cl)ncc3ccccc32)CC1 ZINC001205109299 812868670 /nfs/dbraw/zinc/86/86/70/812868670.db2.gz DQZYDZJJKSINJM-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c(Cl)ncc3ccccc32)CC1 ZINC001205109299 812868677 /nfs/dbraw/zinc/86/86/77/812868677.db2.gz DQZYDZJJKSINJM-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC001205255076 812917903 /nfs/dbraw/zinc/91/79/03/812917903.db2.gz GBZXYFSJJHSVKW-CQSZACIVSA-N 2 1 252.789 3.043 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)c1C ZINC001205255573 812919593 /nfs/dbraw/zinc/91/95/93/812919593.db2.gz KIKINVWAFVBODG-KRWDZBQOSA-N 2 1 276.424 3.015 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c[nH]c21 ZINC001205267001 812923646 /nfs/dbraw/zinc/92/36/46/812923646.db2.gz ZQHZQNPUFMSEHD-GOSISDBHSA-N 2 1 285.435 3.434 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205281778 812930556 /nfs/dbraw/zinc/93/05/56/812930556.db2.gz XSNXCKUZEZRWQP-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c12 ZINC001205287807 812932089 /nfs/dbraw/zinc/93/20/89/812932089.db2.gz CPZPJZXIAXPQDU-GOSISDBHSA-N 2 1 283.419 3.247 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205288773 812933236 /nfs/dbraw/zinc/93/32/36/812933236.db2.gz OHEGAHXWLJSEEB-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205288773 812933240 /nfs/dbraw/zinc/93/32/40/812933240.db2.gz OHEGAHXWLJSEEB-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC001205297047 812937007 /nfs/dbraw/zinc/93/70/07/812937007.db2.gz XWNLLGLTPOIUGQ-HIFRSBDPSA-N 2 1 280.843 3.189 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296619 812937879 /nfs/dbraw/zinc/93/78/79/812937879.db2.gz RQVRRMXVVSWYDJ-QGZVFWFLSA-N 2 1 276.424 3.015 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303213 812940281 /nfs/dbraw/zinc/94/02/81/812940281.db2.gz AYVLKLSHXNTWRH-DGCLKSJQSA-N 2 1 266.816 3.065 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205304248 812941729 /nfs/dbraw/zinc/94/17/29/812941729.db2.gz NHMYXIFPTGAIPI-NVXWUHKLSA-N 2 1 290.451 3.282 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318104 812950741 /nfs/dbraw/zinc/95/07/41/812950741.db2.gz RRTHZDMFALIZSZ-RDTXWAMCSA-N 2 1 298.430 3.265 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318731 812952342 /nfs/dbraw/zinc/95/23/42/812952342.db2.gz WHYFNFMEGPVNOF-DGCLKSJQSA-N 2 1 298.883 3.479 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318731 812952344 /nfs/dbraw/zinc/95/23/44/812952344.db2.gz WHYFNFMEGPVNOF-DGCLKSJQSA-N 2 1 298.883 3.479 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001205546172 812999828 /nfs/dbraw/zinc/99/98/28/812999828.db2.gz RFSDUFIIJDFDKQ-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC001205578859 813011301 /nfs/dbraw/zinc/01/13/01/813011301.db2.gz JFFJYZWPNIRXOQ-KRWDZBQOSA-N 2 1 276.399 3.217 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591139 813015053 /nfs/dbraw/zinc/01/50/53/813015053.db2.gz FHFAWXVPDNETGC-QGZVFWFLSA-N 2 1 278.415 3.210 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2ccccc2F)CC[C@@H]1C[NH3+] ZINC001205601337 813017486 /nfs/dbraw/zinc/01/74/86/813017486.db2.gz DPBJFRLABROCQL-GOEBONIOSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC001205602023 813018449 /nfs/dbraw/zinc/01/84/49/813018449.db2.gz HQNJZUDJYAWQSP-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205602393 813019243 /nfs/dbraw/zinc/01/92/43/813019243.db2.gz IQUZZAVZJVBXBG-QGZVFWFLSA-N 2 1 294.414 3.047 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205603105 813019541 /nfs/dbraw/zinc/01/95/41/813019541.db2.gz NRCWYRQSFRQVSU-YOEHRIQHSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205603513 813019923 /nfs/dbraw/zinc/01/99/23/813019923.db2.gz PQGMNBMQHOOGNS-GXTWGEPZSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)CC[C@@H]1C[NH3+] ZINC001205605168 813021496 /nfs/dbraw/zinc/02/14/96/813021496.db2.gz ZNRNHFOLDAQONC-GXTWGEPZSA-N 2 1 274.399 3.119 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205615752 813025470 /nfs/dbraw/zinc/02/54/70/813025470.db2.gz AJMYAVRXTOHIAG-CZUORRHYSA-N 2 1 260.425 3.110 20 0 CGADMP CC(C)c1nc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cs1 ZINC001205618314 813027992 /nfs/dbraw/zinc/02/79/92/813027992.db2.gz ULCOGVBYSOWHTQ-CHWSQXEVSA-N 2 1 281.469 3.073 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cncc3ccccc32)CC[C@H]1C[NH3+] ZINC001205627162 813032205 /nfs/dbraw/zinc/03/22/05/813032205.db2.gz NISMYSRSJMVHPO-GJZGRUSLSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1C ZINC001205625987 813032352 /nfs/dbraw/zinc/03/23/52/813032352.db2.gz DJSLSUHCECHYTG-GUYCJALGSA-N 2 1 274.452 3.419 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(C)c1 ZINC001205628898 813034328 /nfs/dbraw/zinc/03/43/28/813034328.db2.gz XNKWIKYOIDLYFF-CZUORRHYSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]1CCCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001205662711 813045878 /nfs/dbraw/zinc/04/58/78/813045878.db2.gz DFTITDMNXIRNLF-LBPRGKRZSA-N 2 1 264.438 3.016 20 0 CGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H](C)CC(C)C ZINC001205677669 813049265 /nfs/dbraw/zinc/04/92/65/813049265.db2.gz FKIMLESNXHIETC-ZWKOTPCHSA-N 2 1 297.531 3.017 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC1C2CC3CC(C2)CC1C3 ZINC001205693165 813053127 /nfs/dbraw/zinc/05/31/27/813053127.db2.gz QUQNIGNGJSYXMW-UHFFFAOYSA-N 2 1 278.484 3.332 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205781608 813075155 /nfs/dbraw/zinc/07/51/55/813075155.db2.gz XQIFLTADENBTBC-INIZCTEOSA-N 2 1 296.405 3.301 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205781608 813075163 /nfs/dbraw/zinc/07/51/63/813075163.db2.gz XQIFLTADENBTBC-INIZCTEOSA-N 2 1 296.405 3.301 20 0 CGADMP COc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(C)c1C ZINC001205816300 813093626 /nfs/dbraw/zinc/09/36/26/813093626.db2.gz LLBCYAUMDYDEQJ-WBMJQRKESA-N 2 1 290.451 3.180 20 0 CGADMP COc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(C)c1C ZINC001205816300 813093630 /nfs/dbraw/zinc/09/36/30/813093630.db2.gz LLBCYAUMDYDEQJ-WBMJQRKESA-N 2 1 290.451 3.180 20 0 CGADMP COc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(C)c1C ZINC001205816297 813094723 /nfs/dbraw/zinc/09/47/23/813094723.db2.gz LLBCYAUMDYDEQJ-BLLLJJGKSA-N 2 1 290.451 3.180 20 0 CGADMP COc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(C)c1C ZINC001205816297 813094731 /nfs/dbraw/zinc/09/47/31/813094731.db2.gz LLBCYAUMDYDEQJ-BLLLJJGKSA-N 2 1 290.451 3.180 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205828264 813100651 /nfs/dbraw/zinc/10/06/51/813100651.db2.gz KOPOIZRLAPGRMM-RISCZKNCSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205828264 813100654 /nfs/dbraw/zinc/10/06/54/813100654.db2.gz KOPOIZRLAPGRMM-RISCZKNCSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001205839411 813104313 /nfs/dbraw/zinc/10/43/13/813104313.db2.gz FORVQFLNJQOAOC-CXAGYDPISA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001205839411 813104314 /nfs/dbraw/zinc/10/43/14/813104314.db2.gz FORVQFLNJQOAOC-CXAGYDPISA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001205845325 813106023 /nfs/dbraw/zinc/10/60/23/813106023.db2.gz ZPJITLNTPCAKTK-RDJZCZTQSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001205845325 813106026 /nfs/dbraw/zinc/10/60/26/813106026.db2.gz ZPJITLNTPCAKTK-RDJZCZTQSA-N 2 1 283.419 3.037 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205862828 813113026 /nfs/dbraw/zinc/11/30/26/813113026.db2.gz AFZOUOMREXMALT-XHSDSOJGSA-N 2 1 284.488 3.277 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205901149 813122350 /nfs/dbraw/zinc/12/23/50/813122350.db2.gz BIEZPIBJLPBJJG-CRAIPNDOSA-N 2 1 274.452 3.412 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC001205901617 813122529 /nfs/dbraw/zinc/12/25/29/813122529.db2.gz DROJKBBJZBKPRD-DGCLKSJQSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(O)c2ccccc12 ZINC001205903331 813125158 /nfs/dbraw/zinc/12/51/58/813125158.db2.gz OTQMTQZQUJDWFN-KBPBESRZSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC001205904714 813126189 /nfs/dbraw/zinc/12/61/89/813126189.db2.gz WQXZWGWBGVKPQX-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205903442 813126416 /nfs/dbraw/zinc/12/64/16/813126416.db2.gz OYRWFENUIQZCQM-TZMCWYRMSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205903442 813126418 /nfs/dbraw/zinc/12/64/18/813126418.db2.gz OYRWFENUIQZCQM-TZMCWYRMSA-N 2 1 296.842 3.298 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001205913214 813129225 /nfs/dbraw/zinc/12/92/25/813129225.db2.gz HPPXZQLAYQASGO-SWLSCSKDSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)cccc2n1 ZINC001205925653 813137064 /nfs/dbraw/zinc/13/70/64/813137064.db2.gz XUIIMYWSVFKFKW-HUUCEWRRSA-N 2 1 283.419 3.102 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205993149 813154846 /nfs/dbraw/zinc/15/48/46/813154846.db2.gz HKMZOJUHAMQBOV-UKRRQHHQSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205995725 813156424 /nfs/dbraw/zinc/15/64/24/813156424.db2.gz PRMWDVLQHQZLGT-OCCSQVGLSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)CCC[C@@H]1C[NH3+] ZINC001205995810 813157230 /nfs/dbraw/zinc/15/72/30/813157230.db2.gz QPIXIJUKBQILNC-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3cc(O)ccc3c2)CCC[C@@H]1C[NH3+] ZINC001206003514 813161266 /nfs/dbraw/zinc/16/12/66/813161266.db2.gz IXGKKNUKKSHQCD-KBXCAEBGSA-N 2 1 298.430 3.352 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)CCC[C@H]1C[NH3+] ZINC001206003661 813161375 /nfs/dbraw/zinc/16/13/75/813161375.db2.gz KSSIKXQXBMEHEV-STQMWFEESA-N 2 1 298.377 3.095 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3occc3c2)CCC[C@@H]1C[NH3+] ZINC001206005529 813162441 /nfs/dbraw/zinc/16/24/41/813162441.db2.gz YKQZSLUVHLFQBL-XJKSGUPXSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ncsc3c2)CCC[C@@H]1C[NH3+] ZINC001206014237 813166249 /nfs/dbraw/zinc/16/62/49/813166249.db2.gz WHDLRGVNPPMIFJ-GXTWGEPZSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ncsc3c2)CCC[C@@H]1C[NH3+] ZINC001206014255 813166453 /nfs/dbraw/zinc/16/64/53/813166453.db2.gz WHDLRGVNPPMIFJ-TZMCWYRMSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ccoc32)CCC[C@@H]1C[NH3+] ZINC001206023730 813169228 /nfs/dbraw/zinc/16/92/28/813169228.db2.gz GJTIUSSVGNIZKU-DZGCQCFKSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c3ccoc32)CCC[C@@H]1C[NH3+] ZINC001206026519 813170573 /nfs/dbraw/zinc/17/05/73/813170573.db2.gz SQCOBBSYNJVQAS-CHWSQXEVSA-N 2 1 290.382 3.379 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206035148 813175347 /nfs/dbraw/zinc/17/53/47/813175347.db2.gz BWPJPXJLIUQOOX-HOTGVXAUSA-N 2 1 290.451 3.201 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206037076 813175551 /nfs/dbraw/zinc/17/55/51/813175551.db2.gz SXMCDLOMIALVHH-BXUZGUMPSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206037076 813175555 /nfs/dbraw/zinc/17/55/55/813175555.db2.gz SXMCDLOMIALVHH-BXUZGUMPSA-N 2 1 274.433 3.379 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001206083947 813195222 /nfs/dbraw/zinc/19/52/22/813195222.db2.gz AWDPIPHFFSTZJV-BZUAXINKSA-N 2 1 284.488 3.289 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001206083947 813195228 /nfs/dbraw/zinc/19/52/28/813195228.db2.gz AWDPIPHFFSTZJV-BZUAXINKSA-N 2 1 284.488 3.289 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@H]1F ZINC001206167321 813222220 /nfs/dbraw/zinc/22/22/20/813222220.db2.gz YHBVHANFCSCFOX-OLZOCXBDSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2csc3ccccc23)CC[C@H]1F ZINC001206174078 813226110 /nfs/dbraw/zinc/22/61/10/813226110.db2.gz LVGAPIJHEBHISO-KGLIPLIRSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cccc(Cl)c23)CC[C@H]1F ZINC001206173116 813226317 /nfs/dbraw/zinc/22/63/17/813226317.db2.gz FBWWVXZTBXKCCT-OLZOCXBDSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC[C@H]1F ZINC001206173116 813226320 /nfs/dbraw/zinc/22/63/20/813226320.db2.gz FBWWVXZTBXKCCT-OLZOCXBDSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cncc(-c3ccccc3)c2)CC[C@H]1F ZINC001206187482 813232513 /nfs/dbraw/zinc/23/25/13/813232513.db2.gz TYCALKLWOGFTAL-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC[C@H]1F ZINC001206187482 813232516 /nfs/dbraw/zinc/23/25/16/813232516.db2.gz TYCALKLWOGFTAL-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3cccccc2-3)CC[C@@H]1F ZINC001206201895 813237454 /nfs/dbraw/zinc/23/74/54/813237454.db2.gz ZQYNUSSNDUGMJG-IRXDYDNUSA-N 2 1 272.367 3.053 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cccccc2-3)CC[C@@H]1F ZINC001206201895 813237459 /nfs/dbraw/zinc/23/74/59/813237459.db2.gz ZQYNUSSNDUGMJG-IRXDYDNUSA-N 2 1 272.367 3.053 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206263006 813262373 /nfs/dbraw/zinc/26/23/73/813262373.db2.gz LHPYGCMBIIKGRV-LBPRGKRZSA-N 2 1 286.341 3.198 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206263006 813262377 /nfs/dbraw/zinc/26/23/77/813262377.db2.gz LHPYGCMBIIKGRV-LBPRGKRZSA-N 2 1 286.341 3.198 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269228 813264992 /nfs/dbraw/zinc/26/49/92/813264992.db2.gz HJWFQFYXZRAFCE-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269228 813264998 /nfs/dbraw/zinc/26/49/98/813264998.db2.gz HJWFQFYXZRAFCE-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@](C)(C[NH3+])CC1)c1ccccc1 ZINC001206293429 813274813 /nfs/dbraw/zinc/27/48/13/813274813.db2.gz HPSSGDRSZNZOKG-DOTOQJQBSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206297025 813276436 /nfs/dbraw/zinc/27/64/36/813276436.db2.gz WHRLFNILCJADIT-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3scnc3c2)CC1 ZINC001206318070 813287074 /nfs/dbraw/zinc/28/70/74/813287074.db2.gz LZGYNSXKOUDKNT-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206324394 813288892 /nfs/dbraw/zinc/28/88/92/813288892.db2.gz AKLBJNKDBKQHMN-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206335990 813294230 /nfs/dbraw/zinc/29/42/30/813294230.db2.gz IUUULINQOKSMBE-KRWDZBQOSA-N 2 1 294.414 3.094 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001206343581 813296484 /nfs/dbraw/zinc/29/64/84/813296484.db2.gz GUZVRZOIFSTDFF-GOSISDBHSA-N 2 1 286.394 3.493 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2Cl)C1 ZINC001206540115 813342515 /nfs/dbraw/zinc/34/25/15/813342515.db2.gz AFEAFCLARHIZPE-HNNXBMFYSA-N 2 1 266.816 3.291 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(C)c1 ZINC001206549677 813349656 /nfs/dbraw/zinc/34/96/56/813349656.db2.gz PUQLFOHCUWQLFI-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001206556275 813352275 /nfs/dbraw/zinc/35/22/75/813352275.db2.gz QDTUSCVAAWBPBW-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206572090 813357779 /nfs/dbraw/zinc/35/77/79/813357779.db2.gz AQVIPECUWBXUGU-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP CSc1ncc(C)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206572920 813359206 /nfs/dbraw/zinc/35/92/06/813359206.db2.gz HSPROAFEFXVDAS-INIZCTEOSA-N 2 1 293.480 3.063 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1N(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206582725 813362914 /nfs/dbraw/zinc/36/29/14/813362914.db2.gz PCMJTBYRULGXFU-KRWDZBQOSA-N 2 1 289.467 3.105 20 0 CGADMP CC(C)[N@@H+](CCOCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC001206583389 813363918 /nfs/dbraw/zinc/36/39/18/813363918.db2.gz UHJZIOJVHAMFTJ-GOSISDBHSA-N 2 1 290.451 3.056 20 0 CGADMP CC(C)[N@@H+](Cc1cc(O)cc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC001206591748 813368023 /nfs/dbraw/zinc/36/80/23/813368023.db2.gz VTNVCSQGABEYGV-HNNXBMFYSA-N 2 1 296.842 3.398 20 0 CGADMP COc1ccc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206599911 813370821 /nfs/dbraw/zinc/37/08/21/813370821.db2.gz YXRFVWZAMPQWCI-QGZVFWFLSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206648609 813388640 /nfs/dbraw/zinc/38/86/40/813388640.db2.gz NJOUMBLXPVXKSD-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206648609 813388649 /nfs/dbraw/zinc/38/86/49/813388649.db2.gz NJOUMBLXPVXKSD-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1cccc(-c2ccc(C[NH+]3CC(C)(C[NH3+])C3)cc2)c1 ZINC001206729305 813409625 /nfs/dbraw/zinc/40/96/25/813409625.db2.gz BQDWXVFYKSAYLX-UHFFFAOYSA-N 2 1 280.415 3.443 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206767577 813430118 /nfs/dbraw/zinc/43/01/18/813430118.db2.gz BZNAJXNLRVRDLR-CABCVRRESA-N 2 1 260.425 3.369 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770149 813432672 /nfs/dbraw/zinc/43/26/72/813432672.db2.gz RQLHHURMJCWSMQ-LSDHHAIUSA-N 2 1 285.435 3.220 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC001207175269 813505116 /nfs/dbraw/zinc/50/51/16/813505116.db2.gz SLDRLCQJLWIIBG-FHWLQOOXSA-N 2 1 286.463 3.452 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)C1(C)C ZINC001207275424 813530699 /nfs/dbraw/zinc/53/06/99/813530699.db2.gz IVXFQEDCSPVGJG-ZACQAIPSSA-N 2 1 276.468 3.395 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001207399065 813557483 /nfs/dbraw/zinc/55/74/83/813557483.db2.gz XRQIQURJEZMRQW-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP Fc1ccc(F)c([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC001207438034 813565566 /nfs/dbraw/zinc/56/55/66/813565566.db2.gz RSOUDWOQLDRCLQ-MRXNPFEDSA-N 2 1 280.362 3.101 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2c2nccs2)CC1 ZINC001207486049 813572812 /nfs/dbraw/zinc/57/28/12/813572812.db2.gz CHMQYFRNWAWMMH-CQSZACIVSA-N 2 1 279.453 3.012 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914676 813671945 /nfs/dbraw/zinc/67/19/45/813671945.db2.gz XEAIKQXXDVLDHK-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914676 813671948 /nfs/dbraw/zinc/67/19/48/813671948.db2.gz XEAIKQXXDVLDHK-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914676 813671952 /nfs/dbraw/zinc/67/19/52/813671952.db2.gz XEAIKQXXDVLDHK-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207963258 813680628 /nfs/dbraw/zinc/68/06/28/813680628.db2.gz DWJVYLCLYYZRSF-SFHVURJKSA-N 2 1 294.483 3.284 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208106458 813692612 /nfs/dbraw/zinc/69/26/12/813692612.db2.gz FRRCFYQVCPLDMG-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208169424 813724009 /nfs/dbraw/zinc/72/40/09/813724009.db2.gz PGTHYVJIXKNYOD-JKSUJKDBSA-N 2 1 264.457 3.395 20 0 CGADMP CC[C@@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185847 813734689 /nfs/dbraw/zinc/73/46/89/813734689.db2.gz JCLWJLDPDQAWLE-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC001208592270 813769366 /nfs/dbraw/zinc/76/93/66/813769366.db2.gz GKNRGKPALXDZPC-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001208603543 813770470 /nfs/dbraw/zinc/77/04/70/813770470.db2.gz DHQXUWKTKTYLRQ-UHFFFAOYSA-N 2 1 294.389 3.055 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001208598979 813771272 /nfs/dbraw/zinc/77/12/72/813771272.db2.gz BTNVDSMCXNDRGH-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001208597760 813771612 /nfs/dbraw/zinc/77/16/12/813771612.db2.gz NIQKRNLNHMCWSQ-AWEZNQCLSA-N 2 1 279.453 3.012 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC001208602095 813771917 /nfs/dbraw/zinc/77/19/17/813771917.db2.gz YBNKIJRATHGHHD-JXMROGBWSA-N 2 1 272.436 3.364 20 0 CGADMP CC/C=C\CC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001208726316 813816099 /nfs/dbraw/zinc/81/60/99/813816099.db2.gz TYNINFRWXQYAPA-JGPFYOFESA-N 2 1 290.476 3.468 20 0 CGADMP C[N@H+]1CC=C(Nc2cc[nH+]c(-c3ccccc3)c2)CC1 ZINC001208741723 813831241 /nfs/dbraw/zinc/83/12/41/813831241.db2.gz MYWOLNIIJUHQBV-UHFFFAOYSA-N 2 1 265.360 3.380 20 0 CGADMP C[N@@H+]1CC=C(Nc2cc[nH+]c(-c3ccccc3)c2)CC1 ZINC001208741723 813831248 /nfs/dbraw/zinc/83/12/48/813831248.db2.gz MYWOLNIIJUHQBV-UHFFFAOYSA-N 2 1 265.360 3.380 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208930450 813904430 /nfs/dbraw/zinc/90/44/30/813904430.db2.gz BFUYLTNNLSKQPY-WMZOPIPTSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208930450 813904434 /nfs/dbraw/zinc/90/44/34/813904434.db2.gz BFUYLTNNLSKQPY-WMZOPIPTSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208930450 813904439 /nfs/dbraw/zinc/90/44/39/813904439.db2.gz BFUYLTNNLSKQPY-WMZOPIPTSA-N 2 1 272.436 3.240 20 0 CGADMP CC/C=C\CCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209288780 813995267 /nfs/dbraw/zinc/99/52/67/813995267.db2.gz QMSVKSJYWOBBHL-FPXTWJHWSA-N 2 1 264.457 3.397 20 0 CGADMP CC/C=C\CCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001209288780 813995272 /nfs/dbraw/zinc/99/52/72/813995272.db2.gz QMSVKSJYWOBBHL-FPXTWJHWSA-N 2 1 264.457 3.397 20 0 CGADMP CC/C=C\CCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001209288780 813995276 /nfs/dbraw/zinc/99/52/76/813995276.db2.gz QMSVKSJYWOBBHL-FPXTWJHWSA-N 2 1 264.457 3.397 20 0 CGADMP C[NH2+]CC1C[NH+](C[C@H](C)c2cccc3ccccc32)C1 ZINC001210561479 814526835 /nfs/dbraw/zinc/52/68/35/814526835.db2.gz MPQKFMXVEGSXBY-AWEZNQCLSA-N 2 1 268.404 3.095 20 0 CGADMP Nc1cccc2[nH+]cn(C3=CC[C@H]([NH+]4CCCC4)CC3)c21 ZINC001210715178 814595067 /nfs/dbraw/zinc/59/50/67/814595067.db2.gz SIMSRKHVQNZIJS-ZDUSSCGKSA-N 2 1 282.391 3.108 20 0 CGADMP C[NH2+]Cc1ccc(Nc2c(C)[nH+]c3ccccn32)cc1 ZINC001211128209 814753874 /nfs/dbraw/zinc/75/38/74/814753874.db2.gz CQURKJCSHMEOMU-UHFFFAOYSA-N 2 1 266.348 3.106 20 0 CGADMP C[NH2+]Cc1cccc(Nc2cccn3c(C)c(C)[nH+]c23)c1 ZINC001211138104 814837044 /nfs/dbraw/zinc/83/70/44/814837044.db2.gz KVBYPXGTPHOGNH-UHFFFAOYSA-N 2 1 280.375 3.414 20 0 CGADMP CC[C@H](Oc1ccccc1C[NH+]1CCC([NH3+])CC1)C(C)C ZINC001218440144 816214160 /nfs/dbraw/zinc/21/41/60/816214160.db2.gz FEDJIGFIZHQAFE-KRWDZBQOSA-N 2 1 290.451 3.423 20 0 CGADMP C(C1CCC1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154109 816361480 /nfs/dbraw/zinc/36/14/80/816361480.db2.gz FONAOEQOPOTKCU-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP COc1ccoc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222171661 816367793 /nfs/dbraw/zinc/36/77/93/816367793.db2.gz CVQKFFYXBVPXCG-QGZVFWFLSA-N 2 1 292.423 3.034 20 0 CGADMP COc1ccoc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222171661 816367799 /nfs/dbraw/zinc/36/77/99/816367799.db2.gz CVQKFFYXBVPXCG-QGZVFWFLSA-N 2 1 292.423 3.034 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222231592 816380010 /nfs/dbraw/zinc/38/00/10/816380010.db2.gz NXQPFCVZSANABR-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c[nH]c21 ZINC001222265762 816391941 /nfs/dbraw/zinc/39/19/41/816391941.db2.gz XQGSETHRYHUGRI-LJQANCHMSA-N 2 1 297.446 3.442 20 0 CGADMP CC(C)(CC[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1)c1ccccc1 ZINC001222283097 816394433 /nfs/dbraw/zinc/39/44/33/816394433.db2.gz SMCKJZLZIPSWKS-GOSISDBHSA-N 2 1 272.436 3.182 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@]2(CC[NH2+]2)C1)c1ccccc1 ZINC001222283097 816394442 /nfs/dbraw/zinc/39/44/42/816394442.db2.gz SMCKJZLZIPSWKS-GOSISDBHSA-N 2 1 272.436 3.182 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1F ZINC001222315838 816407186 /nfs/dbraw/zinc/40/71/86/816407186.db2.gz PKHULPAHFHDOIB-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1F ZINC001222315838 816407190 /nfs/dbraw/zinc/40/71/90/816407190.db2.gz PKHULPAHFHDOIB-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc(F)c1F ZINC001222316739 816407270 /nfs/dbraw/zinc/40/72/70/816407270.db2.gz XQUGXBFSRYUIDH-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc(F)c1F ZINC001222316739 816407272 /nfs/dbraw/zinc/40/72/72/816407272.db2.gz XQUGXBFSRYUIDH-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP COc1c(C)cccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320156 816408779 /nfs/dbraw/zinc/40/87/79/816408779.db2.gz BORNVVFPPKHQJH-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@]13CCC[NH2+]CC3)NCCC2 ZINC001222321188 816408875 /nfs/dbraw/zinc/40/88/75/816408875.db2.gz RIQIJKDHDSOWDF-LJQANCHMSA-N 2 1 299.462 3.153 20 0 CGADMP Clc1ccc([C@H]2C[C@H]2C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335359 816411099 /nfs/dbraw/zinc/41/10/99/816411099.db2.gz ISMGHLXWUWAABD-GOEBONIOSA-N 2 1 290.838 3.129 20 0 CGADMP c1ccc(C2(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)CC2)cc1 ZINC001222385463 816426687 /nfs/dbraw/zinc/42/66/87/816426687.db2.gz NXDLBIDJJDYYRV-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)CC2)cc1 ZINC001222385463 816426688 /nfs/dbraw/zinc/42/66/88/816426688.db2.gz NXDLBIDJJDYYRV-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1)c1ccccc1 ZINC001222385753 816427317 /nfs/dbraw/zinc/42/73/17/816427317.db2.gz VXPPFVXNMLOKNF-FUHWJXTLSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1)c1ccccc1 ZINC001222385753 816427323 /nfs/dbraw/zinc/42/73/23/816427323.db2.gz VXPPFVXNMLOKNF-FUHWJXTLSA-N 2 1 272.436 3.398 20 0 CGADMP c1cc(C[N@H+]2CCCC3(CCCC3)C2)cc2c1C[NH2+]C2 ZINC001222400706 816433930 /nfs/dbraw/zinc/43/39/30/816433930.db2.gz FACGLMCHSLSUOA-UHFFFAOYSA-N 2 1 270.420 3.446 20 0 CGADMP c1ccc(CCCCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222465238 816450992 /nfs/dbraw/zinc/45/09/92/816450992.db2.gz KTQOJISVITZMNX-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222465238 816450996 /nfs/dbraw/zinc/45/09/96/816450996.db2.gz KTQOJISVITZMNX-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465677 816451385 /nfs/dbraw/zinc/45/13/85/816451385.db2.gz XFMNDLILSSJJHO-VEGHNBABSA-N 2 1 288.479 3.421 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465677 816451392 /nfs/dbraw/zinc/45/13/92/816451392.db2.gz XFMNDLILSSJJHO-VEGHNBABSA-N 2 1 288.479 3.421 20 0 CGADMP CCC[C@H](C)C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595907 816474276 /nfs/dbraw/zinc/47/42/76/816474276.db2.gz LNGINEPVAMJBAC-RDJZCZTQSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623190 816480591 /nfs/dbraw/zinc/48/05/91/816480591.db2.gz FJMLXOXRMJVTGK-ZACQAIPSSA-N 2 1 264.457 3.300 20 0 CGADMP Clc1cccc(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222624002 816481950 /nfs/dbraw/zinc/48/19/50/816481950.db2.gz SBOQEZHKTGLXNK-IYBDPMFKSA-N 2 1 292.854 3.204 20 0 CGADMP C[C@@H](CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)CC(C)(C)C ZINC001222624396 816482678 /nfs/dbraw/zinc/48/26/78/816482678.db2.gz ZKRAKPLTNGRTQR-HRCADAONSA-N 2 1 266.473 3.380 20 0 CGADMP CC(C)[NH+]1CCC(Oc2cc(N)[nH+]c3ccccc32)CC1 ZINC001226418189 817351350 /nfs/dbraw/zinc/35/13/50/817351350.db2.gz JCGNNYKQWRHELB-UHFFFAOYSA-N 2 1 285.391 3.069 20 0 CGADMP c1ccn(-c2ccc(C[NH+]3CCC4(CCC[NH2+]4)CC3)cc2)c1 ZINC001228556245 817936934 /nfs/dbraw/zinc/93/69/34/817936934.db2.gz MDZYWGAYOORFBH-UHFFFAOYSA-N 2 1 295.430 3.195 20 0 CGADMP CCCc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001228555634 817937282 /nfs/dbraw/zinc/93/72/82/817937282.db2.gz GIPDTDYXRZNRDJ-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP F[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC1(F)F ZINC001232011138 818233089 /nfs/dbraw/zinc/23/30/89/818233089.db2.gz HGCGRINSNDEVQP-ZDUSSCGKSA-N 2 1 283.297 3.132 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC2(C)C)c1 ZINC001232144621 818265147 /nfs/dbraw/zinc/26/51/47/818265147.db2.gz LCPKVOBDRBXUBH-UHFFFAOYSA-N 2 1 264.388 3.262 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3ncsc32)CC1 ZINC001232732425 818425257 /nfs/dbraw/zinc/42/52/57/818425257.db2.gz HQFZSIBUQQADBB-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3ncsc32)CC1 ZINC001232732425 818425259 /nfs/dbraw/zinc/42/52/59/818425259.db2.gz HQFZSIBUQQADBB-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234978930 818968141 /nfs/dbraw/zinc/96/81/41/818968141.db2.gz MJUSJGYEGMANJB-BGYRXZFFSA-N 2 1 292.426 3.313 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)CC(C)(C)C ZINC001235016092 818979152 /nfs/dbraw/zinc/97/91/52/818979152.db2.gz BZFKXPOUEZYEMA-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)CC(C)(C)C ZINC001235016092 818979157 /nfs/dbraw/zinc/97/91/57/818979157.db2.gz BZFKXPOUEZYEMA-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235008732 818979386 /nfs/dbraw/zinc/97/93/86/818979386.db2.gz ZRTDSSZBHNUAOK-AYOQOUSVSA-N 2 1 286.463 3.282 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235008732 818979395 /nfs/dbraw/zinc/97/93/95/818979395.db2.gz ZRTDSSZBHNUAOK-AYOQOUSVSA-N 2 1 286.463 3.282 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023621 818980178 /nfs/dbraw/zinc/98/01/78/818980178.db2.gz DYBYWSXFIFVNQB-UHFFFAOYSA-N 2 1 284.428 3.210 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023621 818980186 /nfs/dbraw/zinc/98/01/86/818980186.db2.gz DYBYWSXFIFVNQB-UHFFFAOYSA-N 2 1 284.428 3.210 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)c1 ZINC001235030893 818982145 /nfs/dbraw/zinc/98/21/45/818982145.db2.gz HYAMCIARRAUILG-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)c1 ZINC001235030893 818982154 /nfs/dbraw/zinc/98/21/54/818982154.db2.gz HYAMCIARRAUILG-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Fc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235026019 818983007 /nfs/dbraw/zinc/98/30/07/818983007.db2.gz JZZQBHBUBWDMMM-PKOBYXMFSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235026019 818983013 /nfs/dbraw/zinc/98/30/13/818983013.db2.gz JZZQBHBUBWDMMM-PKOBYXMFSA-N 2 1 296.389 3.286 20 0 CGADMP Cc1c(C[N@H+]2CCC3(C[NH2+]C3)C2)cccc1-c1ccccc1 ZINC001235025442 818983159 /nfs/dbraw/zinc/98/31/59/818983159.db2.gz ARMGIXZNALRBBG-UHFFFAOYSA-N 2 1 292.426 3.457 20 0 CGADMP Fc1cccc2c(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cccc12 ZINC001235033067 818983950 /nfs/dbraw/zinc/98/39/50/818983950.db2.gz OIDMSSWFESEJIS-GOSISDBHSA-N 2 1 284.378 3.164 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033102 818985027 /nfs/dbraw/zinc/98/50/27/818985027.db2.gz SYTZNTKTGJLCIY-MJSXRHKHSA-N 2 1 250.430 3.198 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110003 819005976 /nfs/dbraw/zinc/00/59/76/819005976.db2.gz GPUDYVURNCJCKY-HYVNUMGLSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110003 819005978 /nfs/dbraw/zinc/00/59/78/819005978.db2.gz GPUDYVURNCJCKY-HYVNUMGLSA-N 2 1 290.838 3.271 20 0 CGADMP c1ccc(CCCC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125164 819011405 /nfs/dbraw/zinc/01/14/05/819011405.db2.gz NPIKZAUDIBJQFE-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCC[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125164 819011408 /nfs/dbraw/zinc/01/14/08/819011408.db2.gz NPIKZAUDIBJQFE-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125256 819012531 /nfs/dbraw/zinc/01/25/31/819012531.db2.gz OKAHPJSQDVLGTI-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125256 819012536 /nfs/dbraw/zinc/01/25/36/819012536.db2.gz OKAHPJSQDVLGTI-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235140737 819014645 /nfs/dbraw/zinc/01/46/45/819014645.db2.gz LTQRKZYXLBTLHX-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1cccc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235151979 819017810 /nfs/dbraw/zinc/01/78/10/819017810.db2.gz LBDGERBOSFZOKG-IBGZPJMESA-N 2 1 286.463 3.392 20 0 CGADMP Cc1ccc(O)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235158741 819020194 /nfs/dbraw/zinc/02/01/94/819020194.db2.gz VLYVQJRZJNMUKF-GOSISDBHSA-N 2 1 288.435 3.055 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193971 819031407 /nfs/dbraw/zinc/03/14/07/819031407.db2.gz TZMKTYJLACZTFE-BRWVUGGUSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001235210522 819037123 /nfs/dbraw/zinc/03/71/23/819037123.db2.gz LLGAZWQDGBIXSR-RUYXUALKSA-N 2 1 292.426 3.359 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(C4CCCCC4)cc3)C[C@H]21 ZINC001235208953 819037187 /nfs/dbraw/zinc/03/71/87/819037187.db2.gz CJDWQQWOSCQDER-PIIMJCKOSA-N 2 1 270.420 3.123 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc4sc5ccccc5c4c3)C[C@H]21 ZINC001235211516 819037390 /nfs/dbraw/zinc/03/73/90/819037390.db2.gz WXXCZJNLTSNENC-HWWDLCQESA-N 2 1 294.423 3.443 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3cccccc1-3)C2 ZINC001235248585 819048374 /nfs/dbraw/zinc/04/83/74/819048374.db2.gz WUHGKKWSAVDGCK-SJLPKXTDSA-N 2 1 266.388 3.105 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1(C)C ZINC001235256023 819051520 /nfs/dbraw/zinc/05/15/20/819051520.db2.gz OTIPZVMRRNCAKO-XHSDSOJGSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1(C)C ZINC001235256023 819051524 /nfs/dbraw/zinc/05/15/24/819051524.db2.gz OTIPZVMRRNCAKO-XHSDSOJGSA-N 2 1 262.441 3.053 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235260979 819054592 /nfs/dbraw/zinc/05/45/92/819054592.db2.gz OQSZIKGRLXMBOI-ATZDWAIDSA-N 2 1 286.463 3.282 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272559 819059487 /nfs/dbraw/zinc/05/94/87/819059487.db2.gz QISVLXZKODVZCF-NVXWUHKLSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272559 819059494 /nfs/dbraw/zinc/05/94/94/819059494.db2.gz QISVLXZKODVZCF-NVXWUHKLSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C2C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235338483 819071148 /nfs/dbraw/zinc/07/11/48/819071148.db2.gz PEDFXONAYGIJGI-RDJZCZTQSA-N 2 1 294.442 3.485 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001235362946 819079704 /nfs/dbraw/zinc/07/97/04/819079704.db2.gz PMCAMFKBFPFIQJ-IRXDYDNUSA-N 2 1 262.441 3.492 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001235362946 819079709 /nfs/dbraw/zinc/07/97/09/819079709.db2.gz PMCAMFKBFPFIQJ-IRXDYDNUSA-N 2 1 262.441 3.492 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)CC(C)(C)C ZINC001235399216 819084971 /nfs/dbraw/zinc/08/49/71/819084971.db2.gz ZMVQOJCEGAESAY-RBSFLKMASA-N 2 1 284.463 3.458 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001235426299 819092651 /nfs/dbraw/zinc/09/26/51/819092651.db2.gz OQRMXXNCBGJRMH-UXHICEINSA-N 2 1 298.474 3.113 20 0 CGADMP c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422353 819092937 /nfs/dbraw/zinc/09/29/37/819092937.db2.gz BWOVACPJDBLLSU-CVEARBPZSA-N 2 1 297.446 3.380 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc2[nH]1 ZINC001235426688 819093475 /nfs/dbraw/zinc/09/34/75/819093475.db2.gz QAMCFHBHOLIHKO-QZTJIDSGSA-N 2 1 297.446 3.380 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)CCC2 ZINC001235430120 819094911 /nfs/dbraw/zinc/09/49/11/819094911.db2.gz FBOFZZSTBIOIDF-ROUUACIJSA-N 2 1 298.474 3.387 20 0 CGADMP C[N@H+](Cc1cccc2sccc21)CC1CC[NH2+]CC1 ZINC001235431696 819096612 /nfs/dbraw/zinc/09/66/12/819096612.db2.gz ATBCRNFURZBIIU-UHFFFAOYSA-N 2 1 274.433 3.333 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+](C)CCC[NH3+] ZINC001235435225 819097336 /nfs/dbraw/zinc/09/73/36/819097336.db2.gz CYBFGFQQNWLODO-UHFFFAOYSA-N 2 1 268.404 3.443 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001235435806 819099329 /nfs/dbraw/zinc/09/93/29/819099329.db2.gz ZKEMSKHVKRSEGQ-UHFFFAOYSA-N 2 1 288.366 3.399 20 0 CGADMP CC(C)Oc1c(F)cc(C[N@H+](C)CCC[NH3+])cc1Cl ZINC001235446474 819101016 /nfs/dbraw/zinc/10/10/16/819101016.db2.gz YFVMUWOVUXWPEP-UHFFFAOYSA-N 2 1 288.794 3.047 20 0 CGADMP CC(C)Oc1c(F)cc(C[N@@H+](C)CCC[NH3+])cc1Cl ZINC001235446474 819101023 /nfs/dbraw/zinc/10/10/23/819101023.db2.gz YFVMUWOVUXWPEP-UHFFFAOYSA-N 2 1 288.794 3.047 20 0 CGADMP C[N@@H+](CCCCCc1ccccc1)C1CC[NH2+]CC1 ZINC001235472026 819108760 /nfs/dbraw/zinc/10/87/60/819108760.db2.gz GXKVVOHFVUNSHX-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP CCCC[N@@H+](CCC)CC1CC2(C1)CC[NH2+]CC2 ZINC001235662749 819131630 /nfs/dbraw/zinc/13/16/30/819131630.db2.gz MSUFHIIINYMURS-UHFFFAOYSA-N 2 1 252.446 3.278 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235667225 819133076 /nfs/dbraw/zinc/13/30/76/819133076.db2.gz WGLJXGMUAIHZQE-ROUUACIJSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235677324 819136932 /nfs/dbraw/zinc/13/69/32/819136932.db2.gz ZNYPCQVLFICWLK-HNNXBMFYSA-N 2 1 268.404 3.319 20 0 CGADMP CCCOc1ccccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235716766 819149735 /nfs/dbraw/zinc/14/97/35/819149735.db2.gz KIRCDGCTNATHCO-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2ccc3ccn(CC)c3c2)CC1 ZINC001235725581 819152841 /nfs/dbraw/zinc/15/28/41/819152841.db2.gz JSWYFBZYZKKAQD-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235724175 819153656 /nfs/dbraw/zinc/15/36/56/819153656.db2.gz CWOGDJFIZFMNSM-CABCVRRESA-N 2 1 276.399 3.147 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2c(C)cc(OC)c(C)c2C)CC1 ZINC001235727582 819155498 /nfs/dbraw/zinc/15/54/98/819155498.db2.gz ZJUKARXYCUZFAY-UHFFFAOYSA-N 2 1 290.451 3.194 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001235748884 819160391 /nfs/dbraw/zinc/16/03/91/819160391.db2.gz DXYSSFOPNMQCRZ-SFHVURJKSA-N 2 1 294.442 3.252 20 0 CGADMP Cc1ccc(CC[N@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235841205 819182399 /nfs/dbraw/zinc/18/23/99/819182399.db2.gz ZKGUVVQDEQXBOO-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC001235842589 819183901 /nfs/dbraw/zinc/18/39/01/819183901.db2.gz PICWZZDDFNYUOA-HOTGVXAUSA-N 2 1 282.431 3.485 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCCCCc1ccccc1 ZINC001235892199 819201185 /nfs/dbraw/zinc/20/11/85/819201185.db2.gz MFIVYSTYZFRELB-WBVHZDCISA-N 2 1 260.425 3.211 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1CCc1c(Cl)cccc1Cl ZINC001235924915 819223570 /nfs/dbraw/zinc/22/35/70/819223570.db2.gz BYTULFKRBONVPR-NSHDSACASA-N 2 1 287.234 3.349 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCc1c(Cl)cccc1Cl ZINC001235924915 819223574 /nfs/dbraw/zinc/22/35/74/819223574.db2.gz BYTULFKRBONVPR-NSHDSACASA-N 2 1 287.234 3.349 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@H]3CC[NH3+])c[nH]c21 ZINC001235925761 819224897 /nfs/dbraw/zinc/22/48/97/819224897.db2.gz ZREZIFQIABUQMH-HNNXBMFYSA-N 2 1 271.408 3.044 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929555 819227492 /nfs/dbraw/zinc/22/74/92/819227492.db2.gz RHWYCDOTDSSUNE-OPCNFVSTSA-N 2 1 264.457 3.444 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)o1 ZINC001235937490 819232894 /nfs/dbraw/zinc/23/28/94/819232894.db2.gz IFIZVNZQENBHBX-MSOLQXFVSA-N 2 1 296.414 3.296 20 0 CGADMP [NH3+]Cc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC001235939398 819234403 /nfs/dbraw/zinc/23/44/03/819234403.db2.gz ASIZKNSYPUVOJK-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC001235939398 819234411 /nfs/dbraw/zinc/23/44/11/819234411.db2.gz ASIZKNSYPUVOJK-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235950291 819239772 /nfs/dbraw/zinc/23/97/72/819239772.db2.gz YWSLYLPMHZAXQL-HOCLYGCPSA-N 2 1 276.424 3.220 20 0 CGADMP C[N@@H+](CCC(C)(C)c1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235952556 819243321 /nfs/dbraw/zinc/24/33/21/819243321.db2.gz ZJOGEBWJCKFQEM-MRXNPFEDSA-N 2 1 274.452 3.286 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)C[C@@H]1CC1(C)C ZINC001235959105 819247090 /nfs/dbraw/zinc/24/70/90/819247090.db2.gz SUVHAHDTARHPMM-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC001235959422 819247442 /nfs/dbraw/zinc/24/74/42/819247442.db2.gz JIAKBYWDDPECAV-DKISHCGFSA-N 2 1 258.409 3.021 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235982808 819258673 /nfs/dbraw/zinc/25/86/73/819258673.db2.gz WYYIMIQDKOIHTC-BFUOFWGJSA-N 2 1 297.446 3.389 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235982808 819258676 /nfs/dbraw/zinc/25/86/76/819258676.db2.gz WYYIMIQDKOIHTC-BFUOFWGJSA-N 2 1 297.446 3.389 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981910 819259005 /nfs/dbraw/zinc/25/90/05/819259005.db2.gz SOVYZAMXIPDGGT-RTBURBONSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981910 819259010 /nfs/dbraw/zinc/25/90/10/819259010.db2.gz SOVYZAMXIPDGGT-RTBURBONSA-N 2 1 278.399 3.277 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235985632 819259960 /nfs/dbraw/zinc/25/99/60/819259960.db2.gz BRHOXBVHLAEFLZ-MLGOLLRUSA-N 2 1 272.417 3.133 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235985632 819259963 /nfs/dbraw/zinc/25/99/63/819259963.db2.gz BRHOXBVHLAEFLZ-MLGOLLRUSA-N 2 1 272.417 3.133 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991958 819262104 /nfs/dbraw/zinc/26/21/04/819262104.db2.gz JCRFSOLVZPLTAL-LXPRWKDFSA-N 2 1 290.426 3.161 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001235991958 819262111 /nfs/dbraw/zinc/26/21/11/819262111.db2.gz JCRFSOLVZPLTAL-LXPRWKDFSA-N 2 1 290.426 3.161 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235996614 819266452 /nfs/dbraw/zinc/26/64/52/819266452.db2.gz YLBRZCZWZUSQFO-MAUKXSAKSA-N 2 1 266.388 3.071 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001236052844 819289172 /nfs/dbraw/zinc/28/91/72/819289172.db2.gz VWJHFRSTDWRYNC-KBXCAEBGSA-N 2 1 296.414 3.228 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001236052844 819289178 /nfs/dbraw/zinc/28/91/78/819289178.db2.gz VWJHFRSTDWRYNC-KBXCAEBGSA-N 2 1 296.414 3.228 20 0 CGADMP C[NH2+]CCC[NH+]1CCC(c2ccccc2Cl)CC1 ZINC001236072937 819302323 /nfs/dbraw/zinc/30/23/23/819302323.db2.gz YYRKXQDNRCMAHI-UHFFFAOYSA-N 2 1 266.816 3.129 20 0 CGADMP CC[N@@H+](Cc1cccs1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236088739 819309298 /nfs/dbraw/zinc/30/92/98/819309298.db2.gz IMMVXUHVBSUTMS-AAEUAGOBSA-N 2 1 288.407 3.061 20 0 CGADMP CC[N@H+](Cc1cccs1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236088739 819309303 /nfs/dbraw/zinc/30/93/03/819309303.db2.gz IMMVXUHVBSUTMS-AAEUAGOBSA-N 2 1 288.407 3.061 20 0 CGADMP C[C@@H]1C[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@@H]1[NH3+] ZINC001236094416 819311531 /nfs/dbraw/zinc/31/15/31/819311531.db2.gz TZFWDYHMXVPRNZ-DOMZBBRYSA-N 2 1 285.435 3.244 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@@H]1[NH3+] ZINC001236094416 819311540 /nfs/dbraw/zinc/31/15/40/819311540.db2.gz TZFWDYHMXVPRNZ-DOMZBBRYSA-N 2 1 285.435 3.244 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1cccn1-c1ccc(Cl)cc1 ZINC001236140974 819340544 /nfs/dbraw/zinc/34/05/44/819340544.db2.gz BVJPXSLVDOVDOL-UHFFFAOYSA-N 2 1 291.826 3.301 20 0 CGADMP C[N@H+](Cc1cccc2sccc21)[C@]1(C)CCC[NH2+]C1 ZINC001236204419 819367349 /nfs/dbraw/zinc/36/73/49/819367349.db2.gz ABHFZORFBNSRJZ-MRXNPFEDSA-N 2 1 274.433 3.475 20 0 CGADMP C[N@@H+](Cc1cccc2sccc21)[C@]1(C)CCC[NH2+]C1 ZINC001236204419 819367352 /nfs/dbraw/zinc/36/73/52/819367352.db2.gz ABHFZORFBNSRJZ-MRXNPFEDSA-N 2 1 274.433 3.475 20 0 CGADMP C[N@H+](Cc1cccc2sccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236204413 819367772 /nfs/dbraw/zinc/36/77/72/819367772.db2.gz ABHFZORFBNSRJZ-INIZCTEOSA-N 2 1 274.433 3.475 20 0 CGADMP C[N@@H+](Cc1cccc2sccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236204413 819367776 /nfs/dbraw/zinc/36/77/76/819367776.db2.gz ABHFZORFBNSRJZ-INIZCTEOSA-N 2 1 274.433 3.475 20 0 CGADMP C[N@H+](Cc1ccccc1-c1ccncc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207048 819368519 /nfs/dbraw/zinc/36/85/19/819368519.db2.gz NNRVXIQRIBDFAJ-LJQANCHMSA-N 2 1 295.430 3.323 20 0 CGADMP C[N@@H+](Cc1ccccc1-c1ccncc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207048 819368523 /nfs/dbraw/zinc/36/85/23/819368523.db2.gz NNRVXIQRIBDFAJ-LJQANCHMSA-N 2 1 295.430 3.323 20 0 CGADMP CCc1cccc2c(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c[nH]c21 ZINC001236213703 819376969 /nfs/dbraw/zinc/37/69/69/819376969.db2.gz BCYYJYBFTDIXQA-DLBZAZTESA-N 2 1 285.435 3.432 20 0 CGADMP CCc1cccc2c(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c[nH]c21 ZINC001236213703 819376975 /nfs/dbraw/zinc/37/69/75/819376975.db2.gz BCYYJYBFTDIXQA-DLBZAZTESA-N 2 1 285.435 3.432 20 0 CGADMP Cc1ccnc2cccc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c12 ZINC001236216713 819380363 /nfs/dbraw/zinc/38/03/63/819380363.db2.gz LXSANUPHIGQYMU-NVXWUHKLSA-N 2 1 283.419 3.245 20 0 CGADMP C[N@H+](Cc1cccc2occc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217228 819381976 /nfs/dbraw/zinc/38/19/76/819381976.db2.gz OFZCKXWBYQGXOG-HUUCEWRRSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1cccc2occc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217228 819381981 /nfs/dbraw/zinc/38/19/81/819381981.db2.gz OFZCKXWBYQGXOG-HUUCEWRRSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@H+](Cc1ccccc1OC(C)(C)C)C1(C)CC[NH2+]CC1 ZINC001236226062 819391197 /nfs/dbraw/zinc/39/11/97/819391197.db2.gz GKONYVZDDVKEQT-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP C[N@@H+](Cc1ccccc1OC(C)(C)C)C1(C)CC[NH2+]CC1 ZINC001236226062 819391204 /nfs/dbraw/zinc/39/12/04/819391204.db2.gz GKONYVZDDVKEQT-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP Clc1ccc(CC[NH+]2CCC[NH2+]CCC2)c(Cl)c1 ZINC001236240102 819399886 /nfs/dbraw/zinc/39/98/86/819399886.db2.gz LFVDMYHDRFGKCX-UHFFFAOYSA-N 2 1 287.234 3.221 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2CCC[NH2+]CCC2)c1C ZINC001236239339 819399957 /nfs/dbraw/zinc/39/99/57/819399957.db2.gz DIEVUVORWJWXNB-UHFFFAOYSA-N 2 1 266.816 3.142 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(F)c1F ZINC001236240770 819400409 /nfs/dbraw/zinc/40/04/09/819400409.db2.gz MKAGRMCUBFZBJA-ZDUSSCGKSA-N 2 1 282.378 3.176 20 0 CGADMP COc1cccc(C[C@@H]2CCC[N@@H+](CCCCC[NH3+])C2)c1 ZINC001236303683 819417666 /nfs/dbraw/zinc/41/76/66/819417666.db2.gz DRMGICGBIITYSF-KRWDZBQOSA-N 2 1 290.451 3.079 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320448 819424165 /nfs/dbraw/zinc/42/41/65/819424165.db2.gz HBSHQOAXQDTHHR-GASCZTMLSA-N 2 1 278.827 3.080 20 0 CGADMP Cc1cc(C)c(-c2cccc3c2CC[NH2+]C3)c(C)[nH+]1 ZINC001236359198 819433610 /nfs/dbraw/zinc/43/36/10/819433610.db2.gz KOAQAEUBWBIAPH-UHFFFAOYSA-N 2 1 252.361 3.320 20 0 CGADMP CCCCc1ccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236409121 819456610 /nfs/dbraw/zinc/45/66/10/819456610.db2.gz RVECMWLUZNOOMB-SFHVURJKSA-N 2 1 274.452 3.461 20 0 CGADMP CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236409798 819457811 /nfs/dbraw/zinc/45/78/11/819457811.db2.gz WVDRCOFIAPPSMA-MRXNPFEDSA-N 2 1 290.451 3.052 20 0 CGADMP COc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001236468773 819489855 /nfs/dbraw/zinc/48/98/55/819489855.db2.gz MFSPYSXPCKEJNU-QGZVFWFLSA-N 2 1 290.451 3.274 20 0 CGADMP COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001236468773 819489859 /nfs/dbraw/zinc/48/98/59/819489859.db2.gz MFSPYSXPCKEJNU-QGZVFWFLSA-N 2 1 290.451 3.274 20 0 CGADMP CC(C)C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551644 819534867 /nfs/dbraw/zinc/53/48/67/819534867.db2.gz SOTIWSXYKSUHBQ-IYARVYRRSA-N 3 1 295.515 3.090 20 0 CGADMP CC(C)C[N@H+](CCCN1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551644 819534871 /nfs/dbraw/zinc/53/48/71/819534871.db2.gz SOTIWSXYKSUHBQ-IYARVYRRSA-N 2 1 295.515 3.090 20 0 CGADMP CC(C)C[N@@H+](CCCN1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551644 819534878 /nfs/dbraw/zinc/53/48/78/819534878.db2.gz SOTIWSXYKSUHBQ-IYARVYRRSA-N 2 1 295.515 3.090 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc3c2NCC3)C2CCC2)CC1 ZINC001236576520 819541256 /nfs/dbraw/zinc/54/12/56/819541256.db2.gz MHXATZNDHRSJJJ-SAABIXHNSA-N 2 1 299.462 3.279 20 0 CGADMP Fc1cccc(CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584631 819545550 /nfs/dbraw/zinc/54/55/50/819545550.db2.gz MMEZAPIMAWKWIU-MRXNPFEDSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc1F ZINC001236633402 819557129 /nfs/dbraw/zinc/55/71/29/819557129.db2.gz GTBXYBRUAGYBGV-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4sccc43)C2)C1 ZINC001236684621 819571003 /nfs/dbraw/zinc/57/10/03/819571003.db2.gz SZPBCMXPDQNOCF-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc4sccc43)C2)C1 ZINC001236684621 819571006 /nfs/dbraw/zinc/57/10/06/819571006.db2.gz SZPBCMXPDQNOCF-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc4sccc43)C2)C1 ZINC001236684621 819571007 /nfs/dbraw/zinc/57/10/07/819571007.db2.gz SZPBCMXPDQNOCF-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236818908 819605795 /nfs/dbraw/zinc/60/57/95/819605795.db2.gz KTXUODXKNKEIOQ-NWANDNLSSA-N 2 1 286.444 3.379 20 0 CGADMP CCCCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001236820299 819607432 /nfs/dbraw/zinc/60/74/32/819607432.db2.gz PVVAVMPBAQZIFV-CGTJXYLNSA-N 2 1 288.435 3.035 20 0 CGADMP CCC[N@H+](Cc1c(C)[nH]c2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236833970 819613792 /nfs/dbraw/zinc/61/37/92/819613792.db2.gz DUMAJNZNBVBKIK-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@H+](Cc1ccccc1-n1cccc1)C[C@H]1CC[NH2+]C1 ZINC001236841874 819619198 /nfs/dbraw/zinc/61/91/98/819619198.db2.gz AMBKUZCDWSJBCD-KRWDZBQOSA-N 2 1 297.446 3.299 20 0 CGADMP CCC[N@H+](Cc1cccc2occc21)C[C@H]1CC[NH2+]C1 ZINC001236845121 819620467 /nfs/dbraw/zinc/62/04/67/819620467.db2.gz YXYGCRZCCOURAG-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@H+](Cc1ccc(F)c2ccoc21)C1CC[NH+](C)CC1 ZINC001236893523 819632406 /nfs/dbraw/zinc/63/24/06/819632406.db2.gz KXDIWNLXMQMFOD-UHFFFAOYSA-N 2 1 276.355 3.098 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2ccoc21)C1CC[NH+](C)CC1 ZINC001236893523 819632408 /nfs/dbraw/zinc/63/24/08/819632408.db2.gz KXDIWNLXMQMFOD-UHFFFAOYSA-N 2 1 276.355 3.098 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001237056887 819653602 /nfs/dbraw/zinc/65/36/02/819653602.db2.gz KYHNTKXAQYZGQY-MRXNPFEDSA-N 2 1 274.433 3.462 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001237080218 819662604 /nfs/dbraw/zinc/66/26/04/819662604.db2.gz FPUIFPAGYZIYGC-INIZCTEOSA-N 2 1 274.433 3.462 20 0 CGADMP Cc1cccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1C ZINC001237147071 819677757 /nfs/dbraw/zinc/67/77/57/819677757.db2.gz WIMVIWUPYBRRFO-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1cccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1C ZINC001237147071 819677761 /nfs/dbraw/zinc/67/77/61/819677761.db2.gz WIMVIWUPYBRRFO-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP CCc1ccccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154556 819681583 /nfs/dbraw/zinc/68/15/83/819681583.db2.gz LNHMUAFYTZSSEL-GOSISDBHSA-N 2 1 272.436 3.356 20 0 CGADMP CCc1ccccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154556 819681587 /nfs/dbraw/zinc/68/15/87/819681587.db2.gz LNHMUAFYTZSSEL-GOSISDBHSA-N 2 1 272.436 3.356 20 0 CGADMP CCc1ccccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154558 819681940 /nfs/dbraw/zinc/68/19/40/819681940.db2.gz LNHMUAFYTZSSEL-SFHVURJKSA-N 2 1 272.436 3.356 20 0 CGADMP CCc1ccccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154558 819681943 /nfs/dbraw/zinc/68/19/43/819681943.db2.gz LNHMUAFYTZSSEL-SFHVURJKSA-N 2 1 272.436 3.356 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1C ZINC001237166559 819686406 /nfs/dbraw/zinc/68/64/06/819686406.db2.gz MECVXQAKFVLDHE-UHFFFAOYSA-N 2 1 284.394 3.437 20 0 CGADMP C[N@H+](Cc1ccc2cccccc1-2)C1CC[NH+](C)CC1 ZINC001237187455 819693566 /nfs/dbraw/zinc/69/35/66/819693566.db2.gz OYLYOYAJNNNNPV-UHFFFAOYSA-N 2 1 268.404 3.317 20 0 CGADMP C[N@@H+](Cc1ccc2cccccc1-2)C1CC[NH+](C)CC1 ZINC001237187455 819693569 /nfs/dbraw/zinc/69/35/69/819693569.db2.gz OYLYOYAJNNNNPV-UHFFFAOYSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c(C)c1C ZINC001237203631 819698360 /nfs/dbraw/zinc/69/83/60/819698360.db2.gz JJQCZBFCIVFGHL-HWPZZCPQSA-N 2 1 260.425 3.150 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c(C)c1C ZINC001237203631 819698370 /nfs/dbraw/zinc/69/83/70/819698370.db2.gz JJQCZBFCIVFGHL-HWPZZCPQSA-N 2 1 260.425 3.150 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC001237250335 819709838 /nfs/dbraw/zinc/70/98/38/819709838.db2.gz VCQMDNJIIYIGHR-LJQANCHMSA-N 2 1 298.405 3.492 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001237246759 819710572 /nfs/dbraw/zinc/71/05/72/819710572.db2.gz CXVSCJATXWHEPU-MSOLQXFVSA-N 2 1 290.426 3.365 20 0 CGADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001237274453 819713990 /nfs/dbraw/zinc/71/39/90/819713990.db2.gz CSUMQMAVRNVAQR-QGZVFWFLSA-N 2 1 296.458 3.480 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374019 819736097 /nfs/dbraw/zinc/73/60/97/819736097.db2.gz ARSWTKMGGKUVJB-GVDBMIGSSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374019 819736099 /nfs/dbraw/zinc/73/60/99/819736099.db2.gz ARSWTKMGGKUVJB-GVDBMIGSSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237380702 819737552 /nfs/dbraw/zinc/73/75/52/819737552.db2.gz GYYMRYJRXOGXOD-BMFZPTHFSA-N 2 1 276.424 3.156 20 0 CGADMP Cc1ccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cccc2n1 ZINC001237418048 819749187 /nfs/dbraw/zinc/74/91/87/819749187.db2.gz XJLLTAOSOBESIE-SJLPKXTDSA-N 2 1 295.430 3.117 20 0 CGADMP CSCC[N@@H+](C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237889457 819873870 /nfs/dbraw/zinc/87/38/70/819873870.db2.gz LXCJDWRUNISIQF-UHFFFAOYSA-N 2 1 290.476 3.483 20 0 CGADMP Cc1cc(C)c(-c2cccc(CN3CC[NH2+]CC3)c2)c(C)[nH+]1 ZINC001240254940 820922149 /nfs/dbraw/zinc/92/21/49/820922149.db2.gz YQIKKXUKLOLELP-UHFFFAOYSA-N 2 1 295.430 3.079 20 0 CGADMP CC[N@H+]1CCCC[C@H]1c1ccc(C2=CC[NH2+]CC2)nc1 ZINC001240466533 821075636 /nfs/dbraw/zinc/07/56/36/821075636.db2.gz NOBMDGJLGKCXOQ-KRWDZBQOSA-N 2 1 271.408 3.005 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C2=CC[NH+](C)CC2)nc1 ZINC001241313034 821723644 /nfs/dbraw/zinc/72/36/44/821723644.db2.gz UBFNLFYDXRJDNF-HNNXBMFYSA-N 2 1 285.435 3.175 20 0 CGADMP C[C@H]1CCCC[NH+]1Cc1ccc(C2=CC[N@H+](C)CC2)nc1 ZINC001241313034 821723650 /nfs/dbraw/zinc/72/36/50/821723650.db2.gz UBFNLFYDXRJDNF-HNNXBMFYSA-N 2 1 285.435 3.175 20 0 CGADMP C[C@H]1CCCC[NH+]1Cc1ccc(C2=CC[N@@H+](C)CC2)nc1 ZINC001241313034 821723657 /nfs/dbraw/zinc/72/36/57/821723657.db2.gz UBFNLFYDXRJDNF-HNNXBMFYSA-N 2 1 285.435 3.175 20 0 CGADMP Nc1[nH]c2ccc(-c3cccc(C[NH+]4CCCC4)c3)cc2[nH+]1 ZINC001242122437 822885478 /nfs/dbraw/zinc/88/54/78/822885478.db2.gz KYAHKCRIZSFBRM-UHFFFAOYSA-N 2 1 292.386 3.408 20 0 CGADMP Cc1ccc(CC[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001343332618 936495113 /nfs/dbraw/zinc/49/51/13/936495113.db2.gz FVXLRXVMBMKBIA-OTWHNJEPSA-N 2 1 286.463 3.200 20 0 CGADMP CC(C)(C[NH2+]CCCC(F)(F)F)[NH+]1CCCCC1 ZINC001351975678 937030277 /nfs/dbraw/zinc/03/02/77/937030277.db2.gz OZZUUXWHYJKVHW-UHFFFAOYSA-N 2 1 266.351 3.183 20 0 CGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001355240298 937131723 /nfs/dbraw/zinc/13/17/23/937131723.db2.gz ZGBFRKIAXXQZAE-UPJWGTAASA-N 2 1 280.378 3.285 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1F ZINC001355374858 937138739 /nfs/dbraw/zinc/13/87/39/937138739.db2.gz VNDRLEGWDBAVOJ-USXIJHARSA-N 2 1 290.426 3.296 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590561 937492842 /nfs/dbraw/zinc/49/28/42/937492842.db2.gz XQYXEHPLEBZVMT-KZNAEPCWSA-N 2 1 290.426 3.488 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590561 937492844 /nfs/dbraw/zinc/49/28/44/937492844.db2.gz XQYXEHPLEBZVMT-KZNAEPCWSA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590561 937492846 /nfs/dbraw/zinc/49/28/46/937492846.db2.gz XQYXEHPLEBZVMT-KZNAEPCWSA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590561 937492847 /nfs/dbraw/zinc/49/28/47/937492847.db2.gz XQYXEHPLEBZVMT-KZNAEPCWSA-N 2 1 290.426 3.488 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCSC(F)(F)F ZINC001460695015 937540413 /nfs/dbraw/zinc/54/04/13/937540413.db2.gz XGQIMDGXXBFAKU-UHFFFAOYSA-N 2 1 298.418 3.437 20 0 CGADMP CC(C)[NH+]1CC(Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229448155 932153365 /nfs/dbraw/zinc/15/33/65/932153365.db2.gz DAXGJQXIFRUFLC-UHFFFAOYSA-N 2 1 288.435 3.144 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC001229624637 932180096 /nfs/dbraw/zinc/18/00/96/932180096.db2.gz CVHCGBNYVORRJU-YOEHRIQHSA-N 2 1 276.424 3.171 20 0 CGADMP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1 ZINC001461830554 937600397 /nfs/dbraw/zinc/60/03/97/937600397.db2.gz PPCOXYFIXOLTMZ-GUDVDZBRSA-N 2 1 286.463 3.315 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)CC1 ZINC001461977737 937609967 /nfs/dbraw/zinc/60/99/67/937609967.db2.gz VMIUMZWQRYEDTL-CYBMUJFWSA-N 2 1 295.496 3.485 20 0 CGADMP CC(C)CCCC[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001462202193 937624877 /nfs/dbraw/zinc/62/48/77/937624877.db2.gz SJAGNUKUIJOBNE-KRWDZBQOSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1cccc(F)c1 ZINC000337260782 932699085 /nfs/dbraw/zinc/69/90/85/932699085.db2.gz XHJSRTYVLRYZAE-UHFFFAOYSA-N 2 1 266.404 3.032 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC1 ZINC001462414520 937639051 /nfs/dbraw/zinc/63/90/51/937639051.db2.gz MJRSPHUKIFAAIW-GOSISDBHSA-N 2 1 290.426 3.131 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC001462482735 937644542 /nfs/dbraw/zinc/64/45/42/937644542.db2.gz XRFVGFSYNUWEIH-FGTMMUONSA-N 2 1 296.499 3.245 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001307875543 933013943 /nfs/dbraw/zinc/01/39/43/933013943.db2.gz PYQYMQGEVZOEEA-UHFFFAOYSA-N 2 1 275.440 3.420 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011948 933033546 /nfs/dbraw/zinc/03/35/46/933033546.db2.gz UPJGWCHZKJWWLN-IEBWSBKVSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011948 933033550 /nfs/dbraw/zinc/03/35/50/933033550.db2.gz UPJGWCHZKJWWLN-IEBWSBKVSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011948 933033556 /nfs/dbraw/zinc/03/35/56/933033556.db2.gz UPJGWCHZKJWWLN-IEBWSBKVSA-N 2 1 280.415 3.366 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041408 933039041 /nfs/dbraw/zinc/03/90/41/933039041.db2.gz SSOUGUWVRMUNKG-CVEARBPZSA-N 2 1 281.403 3.353 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC001308215906 933073689 /nfs/dbraw/zinc/07/36/89/933073689.db2.gz KJQFKELPLACBDV-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC001308419473 933108525 /nfs/dbraw/zinc/10/85/25/933108525.db2.gz VEYPVOAFYZPMLE-LBPRGKRZSA-N 2 1 266.429 3.173 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC001308784374 933175977 /nfs/dbraw/zinc/17/59/77/933175977.db2.gz GXKLWYIGGTWTGR-LJQANCHMSA-N 2 1 286.463 3.264 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC001308784374 933175978 /nfs/dbraw/zinc/17/59/78/933175978.db2.gz GXKLWYIGGTWTGR-LJQANCHMSA-N 2 1 286.463 3.264 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CSC[C@@H]1C)C1CCCCC1 ZINC001308850738 933188859 /nfs/dbraw/zinc/18/88/59/933188859.db2.gz KAHHLAODZLSPHH-HOCLYGCPSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc(Cl)c1 ZINC001308983348 933221138 /nfs/dbraw/zinc/22/11/38/933221138.db2.gz CLUQPQJCFVDYLM-JWZBEHFJSA-N 2 1 292.854 3.373 20 0 CGADMP C[C@H](C[NH2+]CCc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC001319913198 933956507 /nfs/dbraw/zinc/95/65/07/933956507.db2.gz JILISJUAOLMYDR-HUUCEWRRSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H](C[NH2+]CCc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC001319913198 933956513 /nfs/dbraw/zinc/95/65/13/933956513.db2.gz JILISJUAOLMYDR-HUUCEWRRSA-N 2 1 278.415 3.221 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001319912127 933956831 /nfs/dbraw/zinc/95/68/31/933956831.db2.gz CRVWOXGFVNGQGK-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]2CCCC[C@@H]2C1 ZINC001323904323 934436760 /nfs/dbraw/zinc/43/67/60/934436760.db2.gz NWHGHVQLUJWXMJ-BRWVUGGUSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001323904323 934436765 /nfs/dbraw/zinc/43/67/65/934436765.db2.gz NWHGHVQLUJWXMJ-BRWVUGGUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001323904323 934436780 /nfs/dbraw/zinc/43/67/80/934436780.db2.gz NWHGHVQLUJWXMJ-BRWVUGGUSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cccn2C2CC2)CC1 ZINC001324426588 934502261 /nfs/dbraw/zinc/50/22/61/934502261.db2.gz XSNBRIXBERNKSP-UHFFFAOYSA-N 2 1 275.440 3.177 20 0 CGADMP C[C@@H](C[NH2+]CCc1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC001325036098 934884397 /nfs/dbraw/zinc/88/43/97/934884397.db2.gz ACEAVRORKSSMHH-HNNXBMFYSA-N 2 1 278.415 3.078 20 0 CGADMP CC[N@H+]1CCC[C@@H](CNc2ccnc3ccsc32)C1 ZINC001328492319 935143266 /nfs/dbraw/zinc/14/32/66/935143266.db2.gz RSWJQFGRTNFOPD-LBPRGKRZSA-N 2 1 275.421 3.440 20 0 CGADMP CC[N@@H+]1CCC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC001328492319 935143269 /nfs/dbraw/zinc/14/32/69/935143269.db2.gz RSWJQFGRTNFOPD-LBPRGKRZSA-N 2 1 275.421 3.440 20 0 CGADMP CC[N@H+]1CCC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC001328492319 935143271 /nfs/dbraw/zinc/14/32/71/935143271.db2.gz RSWJQFGRTNFOPD-LBPRGKRZSA-N 2 1 275.421 3.440 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC001329022001 935179342 /nfs/dbraw/zinc/17/93/42/935179342.db2.gz BDJHCYPAWQSUIG-WFASDCNBSA-N 2 1 296.842 3.450 20 0 CGADMP c1ccc(N2CCCC2)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001331419998 935377717 /nfs/dbraw/zinc/37/77/17/935377717.db2.gz TYDYVLMNAMMFFN-KRWDZBQOSA-N 2 1 299.462 3.051 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC001333161707 935514909 /nfs/dbraw/zinc/51/49/09/935514909.db2.gz RKONTRDPLYNFHS-OAHLLOKOSA-N 2 1 266.454 3.253 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC001333424534 935534380 /nfs/dbraw/zinc/53/43/80/935534380.db2.gz SYCUSPCTMBUDGW-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001333843530 936070697 /nfs/dbraw/zinc/07/06/97/936070697.db2.gz XKCOQEOFUAPSRD-SOUVJXGZSA-N 2 1 276.424 3.004 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001334355398 936099007 /nfs/dbraw/zinc/09/90/07/936099007.db2.gz CGLLNQAZNJPHNZ-YESZJQIVSA-N 2 1 290.426 3.296 20 0 CGADMP c1ccc([C@]23CCCC[C@@H]2C[N@H+]3CC23CC(C2)C[NH2+]3)cc1 ZINC001335948305 936168925 /nfs/dbraw/zinc/16/89/25/936168925.db2.gz FISXUDXTLKZFQB-DZQINNCISA-N 2 1 282.431 3.140 20 0 CGADMP c1ccc([C@]23CCCC[C@@H]2C[N@@H+]3CC23CC(C2)C[NH2+]3)cc1 ZINC001335948305 936168928 /nfs/dbraw/zinc/16/89/28/936168928.db2.gz FISXUDXTLKZFQB-DZQINNCISA-N 2 1 282.431 3.140 20 0 CGADMP c1ccc([C@@]23CCCC[C@@H]2C[N@H+]3CC23CC(C2)C[NH2+]3)cc1 ZINC001335948308 936169076 /nfs/dbraw/zinc/16/90/76/936169076.db2.gz FISXUDXTLKZFQB-IOXAMRCBSA-N 2 1 282.431 3.140 20 0 CGADMP c1ccc([C@@]23CCCC[C@@H]2C[N@@H+]3CC23CC(C2)C[NH2+]3)cc1 ZINC001335948308 936169078 /nfs/dbraw/zinc/16/90/78/936169078.db2.gz FISXUDXTLKZFQB-IOXAMRCBSA-N 2 1 282.431 3.140 20 0 CGADMP Cc1cc(F)cc(NCC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC001338042645 936303487 /nfs/dbraw/zinc/30/34/87/936303487.db2.gz LWMMPYCJZCJOGW-UHFFFAOYSA-N 2 1 277.387 3.063 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC001473936782 937831168 /nfs/dbraw/zinc/83/11/68/937831168.db2.gz FNFCOVIEOBGVLL-DSLCMKTCSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC001473936782 937831170 /nfs/dbraw/zinc/83/11/70/937831170.db2.gz FNFCOVIEOBGVLL-DSLCMKTCSA-N 2 1 292.373 3.194 20 0 CGADMP Cc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c(C)c1 ZINC001473939773 937831391 /nfs/dbraw/zinc/83/13/91/937831391.db2.gz YAEFRLIPHISUGF-UHFFFAOYSA-N 2 1 269.392 3.054 20 0 CGADMP CCCOC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC001474504000 937863633 /nfs/dbraw/zinc/86/36/33/937863633.db2.gz YHUJEFRHLGZVPB-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C(C)(C)[N@H+]1C[C@H]1CC[NH2+]C1 ZINC001550174399 938163949 /nfs/dbraw/zinc/16/39/49/938163949.db2.gz AJIFDAAVCGKMLO-VYDXJSESSA-N 2 1 272.436 3.253 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540379 938167651 /nfs/dbraw/zinc/16/76/51/938167651.db2.gz CJZYXKXWYVHFES-HLLBOEOZSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540379 938167652 /nfs/dbraw/zinc/16/76/52/938167652.db2.gz CJZYXKXWYVHFES-HLLBOEOZSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540379 938167653 /nfs/dbraw/zinc/16/76/53/938167653.db2.gz CJZYXKXWYVHFES-HLLBOEOZSA-N 2 1 276.399 3.160 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@H]1C(C)C ZINC001559688736 938233012 /nfs/dbraw/zinc/23/30/12/938233012.db2.gz BUOVNKBJYFSDFB-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@H]1C(C)C ZINC001559688736 938233013 /nfs/dbraw/zinc/23/30/13/938233013.db2.gz BUOVNKBJYFSDFB-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC001559720050 938233375 /nfs/dbraw/zinc/23/33/75/938233375.db2.gz GCJIYMIFGALJEY-OAHLLOKOSA-N 2 1 271.408 3.320 20 0 CGADMP C[C@H](CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C1CCCCC1 ZINC001560077758 938243526 /nfs/dbraw/zinc/24/35/26/938243526.db2.gz WWEYPJPPQIGEAZ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)C1CCCCC1 ZINC001560077758 938243527 /nfs/dbraw/zinc/24/35/27/938243527.db2.gz WWEYPJPPQIGEAZ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)C1CCCCC1 ZINC001560077758 938243528 /nfs/dbraw/zinc/24/35/28/938243528.db2.gz WWEYPJPPQIGEAZ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C1CCCCC1 ZINC001560077758 938243529 /nfs/dbraw/zinc/24/35/29/938243529.db2.gz WWEYPJPPQIGEAZ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C1CCCCC1 ZINC001560077758 938243530 /nfs/dbraw/zinc/24/35/30/938243530.db2.gz WWEYPJPPQIGEAZ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP Fc1ccc2oc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC001560262620 938249893 /nfs/dbraw/zinc/24/98/93/938249893.db2.gz JHBHYQUZYWPCLS-GFCCVEGCSA-N 2 1 288.366 3.146 20 0 CGADMP Fc1ccc2oc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC001560262620 938249894 /nfs/dbraw/zinc/24/98/94/938249894.db2.gz JHBHYQUZYWPCLS-GFCCVEGCSA-N 2 1 288.366 3.146 20 0 CGADMP CCS[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001560367288 938255389 /nfs/dbraw/zinc/25/53/89/938255389.db2.gz FWWCVQBCOGQYRZ-CABCVRRESA-N 2 1 293.480 3.302 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C(F)F)[C@@H](C)C1 ZINC001560637440 938267515 /nfs/dbraw/zinc/26/75/15/938267515.db2.gz CQUQJUIYVJUKFK-GXTWGEPZSA-N 2 1 285.382 3.045 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C(F)F)[C@@H](C)C1 ZINC001560637440 938267516 /nfs/dbraw/zinc/26/75/16/938267516.db2.gz CQUQJUIYVJUKFK-GXTWGEPZSA-N 2 1 285.382 3.045 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C(F)F)[C@@H](C)C1 ZINC001560637440 938267518 /nfs/dbraw/zinc/26/75/18/938267518.db2.gz CQUQJUIYVJUKFK-GXTWGEPZSA-N 2 1 285.382 3.045 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C(F)F)[C@@H](C)C1 ZINC001560637440 938267519 /nfs/dbraw/zinc/26/75/19/938267519.db2.gz CQUQJUIYVJUKFK-GXTWGEPZSA-N 2 1 285.382 3.045 20 0 CGADMP Cc1ccccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001560987325 938288157 /nfs/dbraw/zinc/28/81/57/938288157.db2.gz VYRUFFPIHWTERC-INIZCTEOSA-N 2 1 281.403 3.101 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001561053360 938292379 /nfs/dbraw/zinc/29/23/79/938292379.db2.gz UXWVXSAWJUPFJK-GDAAHCPNSA-N 2 1 286.463 3.246 20 0 CGADMP [NH3+]C[C@@]12C[N@@H+](CCC3CCCCC3)C[C@H]1CCCC2 ZINC001580256103 960486307 /nfs/dbraw/zinc/48/63/07/960486307.db2.gz RCBDDQYNZOZHFJ-SJORKVTESA-N 2 1 264.457 3.408 20 0 CGADMP CC(C)(C)OCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001575249365 962353250 /nfs/dbraw/zinc/35/32/50/962353250.db2.gz IODWJICAEPQDIY-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)(C)c1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC001575276994 962358308 /nfs/dbraw/zinc/35/83/08/962358308.db2.gz FAEREESOTSMXKR-HNNXBMFYSA-N 2 1 286.463 3.342 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)CCCCc1ccccc1 ZINC001575423466 962373446 /nfs/dbraw/zinc/37/34/46/962373446.db2.gz UPZDTOPMYUWZEO-KRWDZBQOSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001575421684 962377511 /nfs/dbraw/zinc/37/75/11/962377511.db2.gz BFSGHMRMYBLRJC-GJZGRUSLSA-N 2 1 280.843 3.360 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC001575422257 962380479 /nfs/dbraw/zinc/38/04/79/962380479.db2.gz GPONVFWBDXBARC-NUEKZKHPSA-N 2 1 278.415 3.234 20 0 CGADMP CC(C)CCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001575570412 962401158 /nfs/dbraw/zinc/40/11/58/962401158.db2.gz JDHZLOAQJWJZCN-OAHLLOKOSA-N 2 1 252.446 3.406 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001575655190 962407802 /nfs/dbraw/zinc/40/78/02/962407802.db2.gz HLGGJKGRZAXMHM-KDURUIRLSA-N 2 1 286.463 3.317 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1cc(F)cc(F)c1 ZINC001576033827 962432180 /nfs/dbraw/zinc/43/21/80/962432180.db2.gz WPQZJFWFFLHVKG-WBMJQRKESA-N 2 1 294.389 3.333 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576316738 962445193 /nfs/dbraw/zinc/44/51/93/962445193.db2.gz SLLWYBWXRQLYSF-CQSZACIVSA-N 2 1 299.418 3.334 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC1(C)C)c1nccc2ccccc21 ZINC001576239773 962451834 /nfs/dbraw/zinc/45/18/34/962451834.db2.gz QTWRNHIDTFZHRJ-CZUORRHYSA-N 2 1 283.419 3.274 20 0 CGADMP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC001576458027 962464478 /nfs/dbraw/zinc/46/44/78/962464478.db2.gz VHOOBQDMMSVEQF-JSGCOSHPSA-N 2 1 264.438 3.131 20 0 CGADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC001576458027 962464487 /nfs/dbraw/zinc/46/44/87/962464487.db2.gz VHOOBQDMMSVEQF-JSGCOSHPSA-N 2 1 264.438 3.131 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC001576596811 962472404 /nfs/dbraw/zinc/47/24/04/962472404.db2.gz BGJWIBFISXIEDY-UPJWGTAASA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC001576596811 962472420 /nfs/dbraw/zinc/47/24/20/962472420.db2.gz BGJWIBFISXIEDY-UPJWGTAASA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC001576596808 962475289 /nfs/dbraw/zinc/47/52/89/962475289.db2.gz BGJWIBFISXIEDY-AGIUHOORSA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC001576596808 962475297 /nfs/dbraw/zinc/47/52/97/962475297.db2.gz BGJWIBFISXIEDY-AGIUHOORSA-N 2 1 298.833 3.327 20 0 CGADMP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1cnc2ccccc2c1 ZINC001576689632 962480595 /nfs/dbraw/zinc/48/05/95/962480595.db2.gz DDJMHVLRKSSFNZ-KSSFIOAISA-N 2 1 283.419 3.232 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001576749567 962490914 /nfs/dbraw/zinc/49/09/14/962490914.db2.gz RMGGUPZKTACMJC-MYCCOQIQSA-N 2 1 294.483 3.090 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]([NH3+])CC(F)F ZINC001576759607 962491191 /nfs/dbraw/zinc/49/11/91/962491191.db2.gz ZCZXEVHHERLAKF-FCHSOHFDSA-N 2 1 286.341 3.021 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(SC)s1 ZINC001577397238 962532439 /nfs/dbraw/zinc/53/24/39/962532439.db2.gz SAMTVKZXECJPAT-SNVBAGLBSA-N 2 1 258.456 3.077 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC001577526670 962554876 /nfs/dbraw/zinc/55/48/76/962554876.db2.gz BERRMLAYELDCGA-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(C[NH3+])c2)C1 ZINC001578215051 962575038 /nfs/dbraw/zinc/57/50/38/962575038.db2.gz PFWFOAYFUPBNAG-HOTGVXAUSA-N 2 1 278.465 3.251 20 0 CGADMP CCc1ccc2c(c1)C[N@H+](C[C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC001578263642 962583361 /nfs/dbraw/zinc/58/33/61/962583361.db2.gz RFNFRSRNUKSJSG-QAQDUYKDSA-N 2 1 286.463 3.372 20 0 CGADMP CCc1ccccc1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001578275329 962586705 /nfs/dbraw/zinc/58/67/05/962586705.db2.gz ITRGKUSUCDRFKZ-UHFFFAOYSA-N 2 1 286.463 3.257 20 0 CGADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)C1(C[NH3+])CCCCC1 ZINC001578490418 962594535 /nfs/dbraw/zinc/59/45/35/962594535.db2.gz KGWXWRBLBDPACG-UHFFFAOYSA-N 2 1 271.408 3.261 20 0 CGADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001579132958 962608971 /nfs/dbraw/zinc/60/89/71/962608971.db2.gz JSAHUTNAVRYDIA-OIISXLGYSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc2ccccc21 ZINC001579150393 962609866 /nfs/dbraw/zinc/60/98/66/962609866.db2.gz JBFMBFOEBVJVAC-XJKSGUPXSA-N 2 1 284.403 3.018 20 0 CGADMP COc1ccccc1/C=C\C[NH2+][C@](C)(C[NH3+])CC(C)C ZINC001579306924 962621491 /nfs/dbraw/zinc/62/14/91/962621491.db2.gz IAAPQFXVGSTPTJ-KMDWOBIYSA-N 2 1 276.424 3.062 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1 ZINC001579395793 962630251 /nfs/dbraw/zinc/63/02/51/962630251.db2.gz OTRGDDLDTJRMJP-CHIMOYNISA-N 2 1 286.341 3.067 20 0 CGADMP Cc1cc(F)cc2c1C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC001579612790 962643575 /nfs/dbraw/zinc/64/35/75/962643575.db2.gz XKHPOFATEUMSPO-UHFFFAOYSA-N 2 1 290.426 3.272 20 0 CGADMP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001579724141 962660617 /nfs/dbraw/zinc/66/06/17/962660617.db2.gz YERGPLVNPAGCJH-JSGCOSHPSA-N 2 1 298.377 3.013 20 0 CGADMP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001579724141 962660621 /nfs/dbraw/zinc/66/06/21/962660621.db2.gz YERGPLVNPAGCJH-JSGCOSHPSA-N 2 1 298.377 3.013 20 0 CGADMP Cc1cccc(COc2ccc(C[NH2+]CC(C)(C)[NH3+])cc2)c1 ZINC001579764881 962674528 /nfs/dbraw/zinc/67/45/28/962674528.db2.gz HNSGVBWEAQXJEZ-UHFFFAOYSA-N 2 1 298.430 3.401 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2CC2CCC2)C1 ZINC001580387158 962716629 /nfs/dbraw/zinc/71/66/29/962716629.db2.gz ONGXZVCEABBOET-ARFHVFGLSA-N 2 1 250.430 3.159 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]2C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001580892998 962739789 /nfs/dbraw/zinc/73/97/89/962739789.db2.gz OXVODDQLZFCULN-KSZLIROESA-N 2 1 272.436 3.302 20 0 CGADMP c1c2ccccc2[nH]c1[C@H]1CCCC[N@@H+]1CCC1C[NH2+]C1 ZINC001580895984 962740058 /nfs/dbraw/zinc/74/00/58/962740058.db2.gz WDVSKSJMROGURX-GOSISDBHSA-N 2 1 283.419 3.304 20 0 CGADMP c1ccc(C2CCC(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001580892932 962744985 /nfs/dbraw/zinc/74/49/85/962744985.db2.gz MNSIUCSDTDLKCM-SOTJZCEJSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc(C2CCC(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001580892932 962744996 /nfs/dbraw/zinc/74/49/96/962744996.db2.gz MNSIUCSDTDLKCM-SOTJZCEJSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCC13CCC3)C2 ZINC000337398846 214054665 /nfs/dbraw/zinc/05/46/65/214054665.db2.gz OTVWCIPIQNZBBN-SFHVURJKSA-N 2 1 284.447 3.357 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCC13CCC3)C2 ZINC000337398846 214054668 /nfs/dbraw/zinc/05/46/68/214054668.db2.gz OTVWCIPIQNZBBN-SFHVURJKSA-N 2 1 284.447 3.357 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)s1 ZINC000621355849 349506069 /nfs/dbraw/zinc/50/60/69/349506069.db2.gz ZGWRCIGJMOVROM-LLVKDONJSA-N 2 1 275.421 3.071 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)oc1C ZINC000337485661 214113798 /nfs/dbraw/zinc/11/37/98/214113798.db2.gz SHJLIBPFCYGZAZ-LSDHHAIUSA-N 2 1 294.439 3.048 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338691680 214723346 /nfs/dbraw/zinc/72/33/46/214723346.db2.gz XTLWFUSFUKKPNY-GDIGMMSISA-N 2 1 284.447 3.395 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2=CCCOC2)cc1 ZINC000127814194 187334581 /nfs/dbraw/zinc/33/45/81/187334581.db2.gz WTHKFKQWEKZCFQ-CQSZACIVSA-N 2 1 297.402 3.178 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000651676002 398267435 /nfs/dbraw/zinc/26/74/35/398267435.db2.gz KZYXUXWEHTXOMC-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781690 349585255 /nfs/dbraw/zinc/58/52/55/349585255.db2.gz HUODLGXIQSLYLL-KFNAQCHYSA-N 2 1 296.361 3.162 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781690 349585258 /nfs/dbraw/zinc/58/52/58/349585258.db2.gz HUODLGXIQSLYLL-KFNAQCHYSA-N 2 1 296.361 3.162 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781688 349585293 /nfs/dbraw/zinc/58/52/93/349585293.db2.gz HUODLGXIQSLYLL-AXAPSJFSSA-N 2 1 296.361 3.162 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781688 349585297 /nfs/dbraw/zinc/58/52/97/349585297.db2.gz HUODLGXIQSLYLL-AXAPSJFSSA-N 2 1 296.361 3.162 20 0 CGADMP C[C@H](C[NH2+]Cc1cc2cnccc2o1)C[NH+]1CCCCC1 ZINC000651683499 398268384 /nfs/dbraw/zinc/26/83/84/398268384.db2.gz ARZCZJBXMYSJPI-CQSZACIVSA-N 2 1 287.407 3.039 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cc2cnccc2o1)C(C)(C)C ZINC000651711861 398273433 /nfs/dbraw/zinc/27/34/33/398273433.db2.gz QIKHSVFDCGMQHO-MRXNPFEDSA-N 2 1 289.423 3.284 20 0 CGADMP CCc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000651721788 398275699 /nfs/dbraw/zinc/27/56/99/398275699.db2.gz RPUAKQJZYRKWSR-YOEHRIQHSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000337778761 214257568 /nfs/dbraw/zinc/25/75/68/214257568.db2.gz ZPGOWSYWEYPYDB-IBGZPJMESA-N 2 1 298.430 3.279 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000651730669 398277250 /nfs/dbraw/zinc/27/72/50/398277250.db2.gz USMQXUAEMNMTSH-QZTJIDSGSA-N 2 1 296.499 3.434 20 0 CGADMP C[NH+](C)CC1(C[NH2+]Cc2cc3cnccc3o2)CCCC1 ZINC000651762448 398284181 /nfs/dbraw/zinc/28/41/81/398284181.db2.gz VTVDDNGHKWPIHB-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000651864857 398298219 /nfs/dbraw/zinc/29/82/19/398298219.db2.gz HCUSJKRIBVLVIX-OAHLLOKOSA-N 2 1 299.462 3.203 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000651866004 398299123 /nfs/dbraw/zinc/29/91/23/398299123.db2.gz QAECPDDATWMSQZ-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000338011799 214358567 /nfs/dbraw/zinc/35/85/67/214358567.db2.gz PNCRSCNOOIBORX-SNVBAGLBSA-N 2 1 297.324 3.350 20 0 CGADMP CC[N@H+](CCC[NH2+]Cc1c(C)n[nH]c1C)C1CCCCC1 ZINC000651909830 398304671 /nfs/dbraw/zinc/30/46/71/398304671.db2.gz YWIVWEMAAHNRHL-UHFFFAOYSA-N 2 1 292.471 3.161 20 0 CGADMP CC[N@@H+](CCC[NH2+]Cc1c(C)n[nH]c1C)C1CCCCC1 ZINC000651909830 398304674 /nfs/dbraw/zinc/30/46/74/398304674.db2.gz YWIVWEMAAHNRHL-UHFFFAOYSA-N 2 1 292.471 3.161 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423475807 529453595 /nfs/dbraw/zinc/45/35/95/529453595.db2.gz SDNAONBFPIDCKV-SKDRFNHKSA-N 2 1 260.303 3.093 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1OC(F)F ZINC000423315001 529591834 /nfs/dbraw/zinc/59/18/34/529591834.db2.gz AAVNDPYFRSXOLY-LBPRGKRZSA-N 2 1 284.350 3.210 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000338320762 214522788 /nfs/dbraw/zinc/52/27/88/214522788.db2.gz ZOQZZKJYASZVEJ-OAHLLOKOSA-N 2 1 278.415 3.347 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000338320762 214522789 /nfs/dbraw/zinc/52/27/89/214522789.db2.gz ZOQZZKJYASZVEJ-OAHLLOKOSA-N 2 1 278.415 3.347 20 0 CGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CC1(C)C ZINC000414068176 529597341 /nfs/dbraw/zinc/59/73/41/529597341.db2.gz AZCYBBFACIIESE-CABCVRRESA-N 2 1 263.429 3.386 20 0 CGADMP C[N@H+]1CC[C@H](NCc2cc3ccccc3o2)CC1(C)C ZINC000623358574 349787863 /nfs/dbraw/zinc/78/78/63/349787863.db2.gz GURKDJSTKCAMOI-AWEZNQCLSA-N 2 1 272.392 3.395 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)CC1(C)C ZINC000623358574 349787871 /nfs/dbraw/zinc/78/78/71/349787871.db2.gz GURKDJSTKCAMOI-AWEZNQCLSA-N 2 1 272.392 3.395 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000126286641 187229413 /nfs/dbraw/zinc/22/94/13/187229413.db2.gz QQCGCPAXRBDZLP-INIZCTEOSA-N 2 1 285.435 3.025 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cc(F)ccc1F ZINC000423373815 529671419 /nfs/dbraw/zinc/67/14/19/529671419.db2.gz JOPAIVARVBMZBL-WBIUFABUSA-N 2 1 268.351 3.146 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623372316 349792520 /nfs/dbraw/zinc/79/25/20/349792520.db2.gz ORLDVRPNOJLCED-DZGCQCFKSA-N 2 1 278.415 3.219 20 0 CGADMP C[N@H+]1CC[C@H](NC2(c3ccccc3)CC2)CC1(C)C ZINC000623411355 349802063 /nfs/dbraw/zinc/80/20/63/349802063.db2.gz BEQXAVHNEOSTIE-HNNXBMFYSA-N 2 1 258.409 3.138 20 0 CGADMP CN1CC[C@H]([NH2+]C2(c3ccccc3)CC2)CC1(C)C ZINC000623411355 349802070 /nfs/dbraw/zinc/80/20/70/349802070.db2.gz BEQXAVHNEOSTIE-HNNXBMFYSA-N 2 1 258.409 3.138 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccccc3)CC2)CC1(C)C ZINC000623411355 349802074 /nfs/dbraw/zinc/80/20/74/349802074.db2.gz BEQXAVHNEOSTIE-HNNXBMFYSA-N 2 1 258.409 3.138 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2(c3ccccc3)CC2)CC1(C)C ZINC000623411355 349802076 /nfs/dbraw/zinc/80/20/76/349802076.db2.gz BEQXAVHNEOSTIE-HNNXBMFYSA-N 2 1 258.409 3.138 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)CC1(C)C ZINC000623423955 349804229 /nfs/dbraw/zinc/80/42/29/349804229.db2.gz XWJMDCLJXVRJPH-QAPCUYQASA-N 2 1 286.463 3.254 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)C1 ZINC000623428024 349806022 /nfs/dbraw/zinc/80/60/22/349806022.db2.gz WPSALXWFDNPCTJ-LJISPDSOSA-N 2 1 252.446 3.274 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000358341456 282274191 /nfs/dbraw/zinc/27/41/91/282274191.db2.gz NTFDCHVFQNXMNL-XIRDDKMYSA-N 2 1 284.488 3.148 20 0 CGADMP CCCCOC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351334502 219090609 /nfs/dbraw/zinc/09/06/09/219090609.db2.gz WMKNXFUMEXKQCX-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@H+](C)C(C)C)CCC2 ZINC000359627936 529747875 /nfs/dbraw/zinc/74/78/75/529747875.db2.gz DDIRMAUCEPRKQY-CYBMUJFWSA-N 2 1 295.496 3.403 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CCC2 ZINC000359627936 529747876 /nfs/dbraw/zinc/74/78/76/529747876.db2.gz DDIRMAUCEPRKQY-CYBMUJFWSA-N 2 1 295.496 3.403 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623515846 349825169 /nfs/dbraw/zinc/82/51/69/349825169.db2.gz SKFDOEPHJTVIER-WCQYABFASA-N 2 1 252.427 3.272 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623515846 349825174 /nfs/dbraw/zinc/82/51/74/349825174.db2.gz SKFDOEPHJTVIER-WCQYABFASA-N 2 1 252.427 3.272 20 0 CGADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496051 349819843 /nfs/dbraw/zinc/81/98/43/349819843.db2.gz FRPINJXQPBSKNN-PMPSAXMXSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccsc1C(F)(F)F)C[NH+](C)C ZINC000623530022 349827386 /nfs/dbraw/zinc/82/73/86/349827386.db2.gz JFTPTIQGSKNNLO-VIFPVBQESA-N 2 1 280.359 3.054 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)CC1(C)C ZINC000623547259 349831293 /nfs/dbraw/zinc/83/12/93/349831293.db2.gz LAHCGCFGZGENSQ-BPCQOVAHSA-N 2 1 274.399 3.273 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H]2CCC[C@@H]21 ZINC000367620837 529806698 /nfs/dbraw/zinc/80/66/98/529806698.db2.gz YOEVMAJIIFDGKW-NEWSRXKRSA-N 2 1 297.446 3.173 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000414174197 529807072 /nfs/dbraw/zinc/80/70/72/529807072.db2.gz XVNANSCHZGFEOK-XWJBARJFSA-N 2 1 288.410 3.144 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000623656626 349858548 /nfs/dbraw/zinc/85/85/48/349858548.db2.gz YNTVDYDWRQXJBY-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000623656626 349858551 /nfs/dbraw/zinc/85/85/51/349858551.db2.gz YNTVDYDWRQXJBY-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657348 349859702 /nfs/dbraw/zinc/85/97/02/349859702.db2.gz OJSVMKIYSVTGKD-ULQDDVLXSA-N 2 1 264.457 3.300 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000623655039 349856878 /nfs/dbraw/zinc/85/68/78/349856878.db2.gz MSIFLHIWPAURID-CQSZACIVSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000623656824 349857965 /nfs/dbraw/zinc/85/79/65/349857965.db2.gz CPHWQFAMDQJHOJ-GJZGRUSLSA-N 2 1 278.415 3.251 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CC=CCC2)CC1(C)C ZINC000623698560 349868564 /nfs/dbraw/zinc/86/85/64/349868564.db2.gz MSHFCNOVXPZUMO-LSDHHAIUSA-N 2 1 250.430 3.195 20 0 CGADMP C[N@@H+](CCCOCc1ccccc1)CC[C@H]1CCC[NH+]1C ZINC000439487995 529894219 /nfs/dbraw/zinc/89/42/19/529894219.db2.gz XPQQNVSIPXJRPW-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](CCCOCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000439487995 529894220 /nfs/dbraw/zinc/89/42/20/529894220.db2.gz XPQQNVSIPXJRPW-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](CCCOCc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC000439487995 529894221 /nfs/dbraw/zinc/89/42/21/529894221.db2.gz XPQQNVSIPXJRPW-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC23CC3)CC1(C)C ZINC000623825629 349891409 /nfs/dbraw/zinc/89/14/09/349891409.db2.gz HGTYPHUZIDMFTK-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000369722783 530051077 /nfs/dbraw/zinc/05/10/77/530051077.db2.gz SXZIFJDDOQBZTK-UHFFFAOYSA-N 2 1 276.399 3.134 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000040623231 344964176 /nfs/dbraw/zinc/96/41/76/344964176.db2.gz DTYYYWOFWHTJOD-KRWDZBQOSA-N 2 1 274.452 3.432 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534863 345012666 /nfs/dbraw/zinc/01/26/66/345012666.db2.gz ZRVRILRDMXMDEC-CVEARBPZSA-N 2 1 290.451 3.466 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000044532548 345013366 /nfs/dbraw/zinc/01/33/66/345013366.db2.gz LCVZKWSLHUBYLA-YOEHRIQHSA-N 2 1 258.409 3.069 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000127362346 187299499 /nfs/dbraw/zinc/29/94/99/187299499.db2.gz XUUABZMMQPOLKC-YJBOKZPZSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000127362346 187299501 /nfs/dbraw/zinc/29/95/01/187299501.db2.gz XUUABZMMQPOLKC-YJBOKZPZSA-N 2 1 283.419 3.460 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169624 345388804 /nfs/dbraw/zinc/38/88/04/345388804.db2.gz NCYKCOXAVBNFLK-OAHLLOKOSA-N 2 1 276.424 3.036 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000071142313 345402791 /nfs/dbraw/zinc/40/27/91/345402791.db2.gz MHTDOIUWFDWYNU-HUUCEWRRSA-N 2 1 268.404 3.442 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000156169257 232226358 /nfs/dbraw/zinc/22/63/58/232226358.db2.gz OPGYLELBNDOWBX-LALPHHSUSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000156169257 232226359 /nfs/dbraw/zinc/22/63/59/232226359.db2.gz OPGYLELBNDOWBX-LALPHHSUSA-N 2 1 266.816 3.473 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC000081094857 345699809 /nfs/dbraw/zinc/69/98/09/345699809.db2.gz SUCCGHAXTIDINZ-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC000081094857 345699811 /nfs/dbraw/zinc/69/98/11/345699811.db2.gz SUCCGHAXTIDINZ-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC000081094857 345699813 /nfs/dbraw/zinc/69/98/13/345699813.db2.gz SUCCGHAXTIDINZ-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC000081094857 345699814 /nfs/dbraw/zinc/69/98/14/345699814.db2.gz SUCCGHAXTIDINZ-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091453351 345814034 /nfs/dbraw/zinc/81/40/34/345814034.db2.gz GYYUOIXVLDDWCU-HNNXBMFYSA-N 2 1 299.393 3.439 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000091453352 345814312 /nfs/dbraw/zinc/81/43/12/345814312.db2.gz GYYUOIXVLDDWCU-OAHLLOKOSA-N 2 1 299.393 3.439 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC000089559957 345770780 /nfs/dbraw/zinc/77/07/80/345770780.db2.gz ISHIEJHSLJROFE-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2Cl)[C@H](C)C1 ZINC000090772488 345794214 /nfs/dbraw/zinc/79/42/14/345794214.db2.gz OTGUXBOIQYIFQO-HIFRSBDPSA-N 2 1 296.842 3.039 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000168946621 232265351 /nfs/dbraw/zinc/26/53/51/232265351.db2.gz FXYRTAJTIPUMLL-XOKHGSTOSA-N 2 1 292.854 3.487 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519315 345898702 /nfs/dbraw/zinc/89/87/02/345898702.db2.gz CPCRNDJRCXDXOE-INIZCTEOSA-N 2 1 272.436 3.384 20 0 CGADMP COC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000173918816 232291874 /nfs/dbraw/zinc/29/18/74/232291874.db2.gz SXFPEXSZPRFNTP-HOTGVXAUSA-N 2 1 290.451 3.043 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113515677 345961047 /nfs/dbraw/zinc/96/10/47/345961047.db2.gz CTBQGKXWRXQOOV-SFHVURJKSA-N 2 1 274.452 3.269 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000121417322 346002347 /nfs/dbraw/zinc/00/23/47/346002347.db2.gz MBOKGPSXGHDDDK-OLZOCXBDSA-N 2 1 277.437 3.110 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000125010335 346014600 /nfs/dbraw/zinc/01/46/00/346014600.db2.gz GFAJXKOGVGJGSS-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000125010335 346014605 /nfs/dbraw/zinc/01/46/05/346014605.db2.gz GFAJXKOGVGJGSS-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000125010335 346014609 /nfs/dbraw/zinc/01/46/09/346014609.db2.gz GFAJXKOGVGJGSS-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000125010335 346014614 /nfs/dbraw/zinc/01/46/14/346014614.db2.gz GFAJXKOGVGJGSS-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158236401 346163490 /nfs/dbraw/zinc/16/34/90/346163490.db2.gz BDWPHTOXTOYVKL-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158236401 346163493 /nfs/dbraw/zinc/16/34/93/346163493.db2.gz BDWPHTOXTOYVKL-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP CC[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000262248518 346403598 /nfs/dbraw/zinc/40/35/98/346403598.db2.gz PXAXQHPQVVGFBF-NVXWUHKLSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000252199394 346390592 /nfs/dbraw/zinc/39/05/92/346390592.db2.gz WAKDYSOZVPJJIP-MUJYYYPQSA-N 2 1 282.472 3.187 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000119126667 370647070 /nfs/dbraw/zinc/64/70/70/370647070.db2.gz CSBFRSYTEJCYAB-UXLLHSPISA-N 2 1 290.451 3.089 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000119126667 370647073 /nfs/dbraw/zinc/64/70/73/370647073.db2.gz CSBFRSYTEJCYAB-UXLLHSPISA-N 2 1 290.451 3.089 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000595564606 347319782 /nfs/dbraw/zinc/31/97/82/347319782.db2.gz GKWFLTFEUWOYDQ-MRXNPFEDSA-N 2 1 250.430 3.147 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000351863697 219229583 /nfs/dbraw/zinc/22/95/83/219229583.db2.gz UOHLYVPLCHOTFW-WBVHZDCISA-N 2 1 298.430 3.278 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000624121400 349978815 /nfs/dbraw/zinc/97/88/15/349978815.db2.gz VJQZGDNJDQWLBU-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120724 349979131 /nfs/dbraw/zinc/97/91/31/349979131.db2.gz FSCHEPJNGRMSFZ-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120724 349979136 /nfs/dbraw/zinc/97/91/36/349979136.db2.gz FSCHEPJNGRMSFZ-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000624122285 349979815 /nfs/dbraw/zinc/97/98/15/349979815.db2.gz NRPRYELHUQLGHV-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(F)c1F ZINC000624122285 349979816 /nfs/dbraw/zinc/97/98/16/349979816.db2.gz NRPRYELHUQLGHV-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000624122285 349979818 /nfs/dbraw/zinc/97/98/18/349979818.db2.gz NRPRYELHUQLGHV-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121426 349978557 /nfs/dbraw/zinc/97/85/57/349978557.db2.gz WFZRTXMMEXLGCI-HZPDHXFCSA-N 2 1 252.446 3.443 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121846 349980411 /nfs/dbraw/zinc/98/04/11/349980411.db2.gz DVWMHRXGZSUWCA-PXAZEXFGSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121846 349980412 /nfs/dbraw/zinc/98/04/12/349980412.db2.gz DVWMHRXGZSUWCA-PXAZEXFGSA-N 2 1 294.389 3.274 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cs1 ZINC000624123237 349983009 /nfs/dbraw/zinc/98/30/09/349983009.db2.gz IHQSVDGZAAKHKE-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339409210 215153821 /nfs/dbraw/zinc/15/38/21/215153821.db2.gz XWQAONBULKUUKA-CYBMUJFWSA-N 2 1 298.833 3.473 20 0 CGADMP Cc1cc(C)cc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000607739253 348260525 /nfs/dbraw/zinc/26/05/25/348260525.db2.gz KATPYGICZVRLDT-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000607739253 348260527 /nfs/dbraw/zinc/26/05/27/348260527.db2.gz KATPYGICZVRLDT-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000607739253 348260529 /nfs/dbraw/zinc/26/05/29/348260529.db2.gz KATPYGICZVRLDT-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000607739253 348260531 /nfs/dbraw/zinc/26/05/31/348260531.db2.gz KATPYGICZVRLDT-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000607358235 348235587 /nfs/dbraw/zinc/23/55/87/348235587.db2.gz WAJFYENFUJGHEP-QGZVFWFLSA-N 2 1 274.452 3.385 20 0 CGADMP Cc1cc(C)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000607358235 348235590 /nfs/dbraw/zinc/23/55/90/348235590.db2.gz WAJFYENFUJGHEP-QGZVFWFLSA-N 2 1 274.452 3.385 20 0 CGADMP Cc1cc(C)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000607358235 348235592 /nfs/dbraw/zinc/23/55/92/348235592.db2.gz WAJFYENFUJGHEP-QGZVFWFLSA-N 2 1 274.452 3.385 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000608507971 348316439 /nfs/dbraw/zinc/31/64/39/348316439.db2.gz VYIGTXHOOXRABL-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000608507971 348316442 /nfs/dbraw/zinc/31/64/42/348316442.db2.gz VYIGTXHOOXRABL-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358505584 233146781 /nfs/dbraw/zinc/14/67/81/233146781.db2.gz KHIOCJOARMTHNX-CYBMUJFWSA-N 2 1 278.827 3.477 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625785445 350213301 /nfs/dbraw/zinc/21/33/01/350213301.db2.gz CKHUHUOCRYXIPZ-KRWDZBQOSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000628201940 350438237 /nfs/dbraw/zinc/43/82/37/350438237.db2.gz BANVXLLKXRNYGE-CVEARBPZSA-N 2 1 272.436 3.172 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628185484 350430018 /nfs/dbraw/zinc/43/00/18/350430018.db2.gz AZZPPFMXQSPQQK-MRXNPFEDSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628185484 350430022 /nfs/dbraw/zinc/43/00/22/350430022.db2.gz AZZPPFMXQSPQQK-MRXNPFEDSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628185484 350430023 /nfs/dbraw/zinc/43/00/23/350430023.db2.gz AZZPPFMXQSPQQK-MRXNPFEDSA-N 2 1 285.435 3.332 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628425559 350536379 /nfs/dbraw/zinc/53/63/79/350536379.db2.gz ORAWUWXPKPGKOK-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(C)C)nc2C)CC[C@@H]1[NH3+] ZINC000629527788 350703442 /nfs/dbraw/zinc/70/34/42/350703442.db2.gz GADSEOUGINLTRB-HOCLYGCPSA-N 2 1 275.440 3.073 20 0 CGADMP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000629527042 350703455 /nfs/dbraw/zinc/70/34/55/350703455.db2.gz IRINGWLIAMAZRL-UHFFFAOYSA-N 2 1 275.440 3.081 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629536330 350705956 /nfs/dbraw/zinc/70/59/56/350705956.db2.gz ISTIEOVNNBLHLB-SFHVURJKSA-N 2 1 287.451 3.089 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629536330 350705957 /nfs/dbraw/zinc/70/59/57/350705957.db2.gz ISTIEOVNNBLHLB-SFHVURJKSA-N 2 1 287.451 3.089 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C2CC2)c1 ZINC000629540747 350707581 /nfs/dbraw/zinc/70/75/81/350707581.db2.gz SPBLITMEICDWLS-WBAXXEDZSA-N 2 1 272.436 3.046 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)CC3 ZINC000629542783 350708294 /nfs/dbraw/zinc/70/82/94/350708294.db2.gz LPZWPJMDPJCNNL-RBSFLKMASA-N 2 1 297.446 3.064 20 0 CGADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000629549704 350710826 /nfs/dbraw/zinc/71/08/26/350710826.db2.gz LCPQOFKVNQXEAD-XYPWUTKMSA-N 2 1 298.421 3.418 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550251 350711256 /nfs/dbraw/zinc/71/12/56/350711256.db2.gz KQYIITHIHPLJCQ-QZTJIDSGSA-N 2 1 295.430 3.498 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1F ZINC000629551632 350712130 /nfs/dbraw/zinc/71/21/30/350712130.db2.gz VZURFZLNDYZYCO-UKRRQHHQSA-N 2 1 294.389 3.144 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000629566081 350713590 /nfs/dbraw/zinc/71/35/90/350713590.db2.gz YDAZZFZIXVCNTD-AAEUAGOBSA-N 2 1 292.389 3.272 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629564900 350713830 /nfs/dbraw/zinc/71/38/30/350713830.db2.gz VPUVZZFYBGMCAB-ZIAGYGMSSA-N 2 1 292.389 3.416 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629560146 350713954 /nfs/dbraw/zinc/71/39/54/350713954.db2.gz DFLXKBRWLIWWTM-STQMWFEESA-N 2 1 278.362 3.026 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000629390077 350687809 /nfs/dbraw/zinc/68/78/09/350687809.db2.gz IRNCXOCQXCUAMI-TUKIKUTGSA-N 2 1 266.816 3.001 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000629508734 350698980 /nfs/dbraw/zinc/69/89/80/350698980.db2.gz AHCUAFLQEJWMJN-UHFFFAOYSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000629508734 350698982 /nfs/dbraw/zinc/69/89/82/350698982.db2.gz AHCUAFLQEJWMJN-UHFFFAOYSA-N 2 1 287.451 3.230 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C)c1c[nH+]ccc1N ZINC000629515257 350699963 /nfs/dbraw/zinc/69/99/63/350699963.db2.gz RENGAMTUXBWKNW-JCURWCKSSA-N 2 1 281.403 3.337 20 0 CGADMP Cc1scc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1C ZINC000631157680 350972301 /nfs/dbraw/zinc/97/23/01/350972301.db2.gz FCLONORHPXGWAO-CQSZACIVSA-N 2 1 266.454 3.186 20 0 CGADMP CCC1([NH+]2CCCC2)CCN(c2cc(C)cc[nH+]2)CC1 ZINC000631449097 351043368 /nfs/dbraw/zinc/04/33/68/351043368.db2.gz UGGQJNZZBLFIDU-UHFFFAOYSA-N 2 1 273.424 3.235 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)F ZINC000631661037 351109059 /nfs/dbraw/zinc/10/90/59/351109059.db2.gz ZVVHANCXCSDUPA-GDBMZVCRSA-N 2 1 278.415 3.235 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(OC)c1OC ZINC000631575484 351073141 /nfs/dbraw/zinc/07/31/41/351073141.db2.gz GEFYRKMFJBVANI-DZGCQCFKSA-N 2 1 294.439 3.085 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCCCC[C@H]([NH3+])C3)ccc2n1 ZINC000634997009 351620718 /nfs/dbraw/zinc/62/07/18/351620718.db2.gz AYZBQHVYAKXLPC-KRWDZBQOSA-N 2 1 283.419 3.247 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCCC[C@H]([NH3+])C3)ccc2n1 ZINC000634997009 351620724 /nfs/dbraw/zinc/62/07/24/351620724.db2.gz AYZBQHVYAKXLPC-KRWDZBQOSA-N 2 1 283.419 3.247 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CNc3ccccc32)[C@H]2CCC[C@H]21 ZINC000635010093 351628741 /nfs/dbraw/zinc/62/87/41/351628741.db2.gz YGAJHWNUYIQPAC-SKWUIDRYSA-N 2 1 299.462 3.048 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)oc1C ZINC000635010357 351628781 /nfs/dbraw/zinc/62/87/81/351628781.db2.gz JXJQLDTYOBTCNT-TZMCWYRMSA-N 2 1 264.413 3.325 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2=CCCCC2)s1 ZINC000352257144 219384153 /nfs/dbraw/zinc/38/41/53/219384153.db2.gz QTVHEJKEDJOJBN-UHFFFAOYSA-N 2 1 279.453 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCC2CCCC2)CC[N@@H+]1C ZINC000122076782 187013702 /nfs/dbraw/zinc/01/37/02/187013702.db2.gz PEDYGBWCYSKUOI-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCC2CCCC2)CC[N@H+]1C ZINC000122076782 187013703 /nfs/dbraw/zinc/01/37/03/187013703.db2.gz PEDYGBWCYSKUOI-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCC2CCCC2)CC[NH+]1C ZINC000122076782 187013704 /nfs/dbraw/zinc/01/37/04/187013704.db2.gz PEDYGBWCYSKUOI-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC2CCCC2)CC[NH+]1C ZINC000122076782 187013705 /nfs/dbraw/zinc/01/37/05/187013705.db2.gz PEDYGBWCYSKUOI-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP COc1cccc(CCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123138926 187073147 /nfs/dbraw/zinc/07/31/47/187073147.db2.gz LQZYXZVBGRFUJR-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123138926 187073148 /nfs/dbraw/zinc/07/31/48/187073148.db2.gz LQZYXZVBGRFUJR-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123138926 187073149 /nfs/dbraw/zinc/07/31/49/187073149.db2.gz LQZYXZVBGRFUJR-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123138926 187073150 /nfs/dbraw/zinc/07/31/50/187073150.db2.gz LQZYXZVBGRFUJR-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccc2oc(C[NH2+]CC(C)(C)C[NH+](C)C)cc2c1 ZINC000122890234 187058177 /nfs/dbraw/zinc/05/81/77/187058177.db2.gz XTNHIQVKDKORHA-UHFFFAOYSA-N 2 1 290.407 3.119 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123350863 187086854 /nfs/dbraw/zinc/08/68/54/187086854.db2.gz BNSRHAZQLLVXAW-ZFWWWQNUSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123350863 187086855 /nfs/dbraw/zinc/08/68/55/187086855.db2.gz BNSRHAZQLLVXAW-ZFWWWQNUSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(Cl)cc2)CC[NH+]1C ZINC000123350863 187086856 /nfs/dbraw/zinc/08/68/56/187086856.db2.gz BNSRHAZQLLVXAW-ZFWWWQNUSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)cc2)CC[NH+]1C ZINC000123350863 187086857 /nfs/dbraw/zinc/08/68/57/187086857.db2.gz BNSRHAZQLLVXAW-ZFWWWQNUSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123350459 187086874 /nfs/dbraw/zinc/08/68/74/187086874.db2.gz BNSRHAZQLLVXAW-DZGCQCFKSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123350459 187086875 /nfs/dbraw/zinc/08/68/75/187086875.db2.gz BNSRHAZQLLVXAW-DZGCQCFKSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)cc2)CC[NH+]1C ZINC000123350459 187086876 /nfs/dbraw/zinc/08/68/76/187086876.db2.gz BNSRHAZQLLVXAW-DZGCQCFKSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)cc2)CC[NH+]1C ZINC000123350459 187086877 /nfs/dbraw/zinc/08/68/77/187086877.db2.gz BNSRHAZQLLVXAW-DZGCQCFKSA-N 2 1 296.842 3.133 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000339905514 215389791 /nfs/dbraw/zinc/38/97/91/215389791.db2.gz LUCPVNNOYDELBW-SFHVURJKSA-N 2 1 272.436 3.159 20 0 CGADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000365634365 234117915 /nfs/dbraw/zinc/11/79/15/234117915.db2.gz YIJNPPJDFPORNE-LBPRGKRZSA-N 2 1 289.345 3.332 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccncc1 ZINC000156593102 188271446 /nfs/dbraw/zinc/27/14/46/188271446.db2.gz YBLWYGVJODWPKB-HNNXBMFYSA-N 2 1 263.429 3.244 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccncc2)c1 ZINC000156610851 188272098 /nfs/dbraw/zinc/27/20/98/188272098.db2.gz YKHQWEHNMZDBBI-OAHLLOKOSA-N 2 1 283.419 3.384 20 0 CGADMP c1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157473810 188319770 /nfs/dbraw/zinc/31/97/70/188319770.db2.gz HWKKJOLHRCADBP-HUUCEWRRSA-N 2 1 270.376 3.149 20 0 CGADMP c1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157473810 188319772 /nfs/dbraw/zinc/31/97/72/188319772.db2.gz HWKKJOLHRCADBP-HUUCEWRRSA-N 2 1 270.376 3.149 20 0 CGADMP FC1(F)CCCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459565463 282945078 /nfs/dbraw/zinc/94/50/78/282945078.db2.gz XPSOIDSWQNVTRD-ZDUSSCGKSA-N 2 1 286.410 3.418 20 0 CGADMP Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411339733 235049660 /nfs/dbraw/zinc/04/96/60/235049660.db2.gz ZBDUZUJWCZPOAM-FGTMMUONSA-N 2 1 299.393 3.351 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000173386377 188852856 /nfs/dbraw/zinc/85/28/56/188852856.db2.gz GCUNBEQEZZGRFG-NWDGAFQWSA-N 2 1 293.361 3.457 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000271818918 191346328 /nfs/dbraw/zinc/34/63/28/191346328.db2.gz BYYSOSQIFRUXLO-SNVBAGLBSA-N 2 1 284.325 3.016 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000271857330 191371782 /nfs/dbraw/zinc/37/17/82/191371782.db2.gz NKZQDGSRPFQPNI-KRWDZBQOSA-N 2 1 269.392 3.323 20 0 CGADMP Cc1occc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414288326 235380333 /nfs/dbraw/zinc/38/03/33/235380333.db2.gz PSGXBVYATAIKIB-GASCZTMLSA-N 2 1 278.440 3.436 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)[C@@H]2CCC[C@H]21 ZINC000353635069 283134578 /nfs/dbraw/zinc/13/45/78/283134578.db2.gz YDRJNBMNTFPVAG-LHJGCZIBSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000336353434 213201586 /nfs/dbraw/zinc/20/15/86/213201586.db2.gz NLJYOSIYZUQZBC-HUUCEWRRSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000336353434 213201588 /nfs/dbraw/zinc/20/15/88/213201588.db2.gz NLJYOSIYZUQZBC-HUUCEWRRSA-N 2 1 278.827 3.365 20 0 CGADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC000352969839 283150712 /nfs/dbraw/zinc/15/07/12/283150712.db2.gz BBHPIEPGHAIWQF-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC000352969839 283150713 /nfs/dbraw/zinc/15/07/13/283150713.db2.gz BBHPIEPGHAIWQF-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC000352969839 283150714 /nfs/dbraw/zinc/15/07/14/283150714.db2.gz BBHPIEPGHAIWQF-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC000352969839 283150715 /nfs/dbraw/zinc/15/07/15/283150715.db2.gz BBHPIEPGHAIWQF-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C1CC1 ZINC000123996943 138372000 /nfs/dbraw/zinc/37/20/00/138372000.db2.gz UBPACQVSJROUDW-QGZVFWFLSA-N 2 1 260.425 3.417 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000125993724 138384462 /nfs/dbraw/zinc/38/44/62/138384462.db2.gz NMWBCRQRFWKTBP-GOEBONIOSA-N 2 1 294.487 3.481 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000126571600 138386238 /nfs/dbraw/zinc/38/62/38/138386238.db2.gz YMXVQENWXDMUDW-JKSUJKDBSA-N 2 1 290.451 3.177 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000127081517 138387779 /nfs/dbraw/zinc/38/77/79/138387779.db2.gz NDWQDZFILSMXAO-NFOMZHRRSA-N 2 1 278.415 3.392 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000128424051 138393278 /nfs/dbraw/zinc/39/32/78/138393278.db2.gz SIAFGNABOOUNTE-INIZCTEOSA-N 2 1 289.398 3.179 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[NH+]1CCCC1 ZINC000129254789 138396997 /nfs/dbraw/zinc/39/69/97/138396997.db2.gz NWHLGSJFFQMOPJ-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC[NH2+]1 ZINC000423381729 297287450 /nfs/dbraw/zinc/28/74/50/297287450.db2.gz OLXBZYRJSQSEHV-XUJVJEKNSA-N 2 1 294.826 3.284 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000423142661 235981138 /nfs/dbraw/zinc/98/11/38/235981138.db2.gz BAGVFLBEUHWXEC-OPRDCNLKSA-N 2 1 258.768 3.256 20 0 CGADMP COCCCC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423090638 235970447 /nfs/dbraw/zinc/97/04/47/235970447.db2.gz XYJUFRJNLCLWLQ-JQHSSLGASA-N 2 1 290.451 3.275 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310696 236033476 /nfs/dbraw/zinc/03/34/76/236033476.db2.gz ASNGIFULXVMGSM-TVQRCGJNSA-N 2 1 272.314 3.093 20 0 CGADMP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000262012372 283282426 /nfs/dbraw/zinc/28/24/26/283282426.db2.gz MJUSDEUJWHTQKC-AEFFLSMTSA-N 2 1 287.451 3.171 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000423401100 236063924 /nfs/dbraw/zinc/06/39/24/236063924.db2.gz VUFVUQRBGGOMIX-NUJGCVRESA-N 2 1 299.393 3.170 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000423497535 236087366 /nfs/dbraw/zinc/08/73/66/236087366.db2.gz ACGYOLBPNTWHRY-GVDBMIGSSA-N 2 1 270.420 3.054 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423530050 236092963 /nfs/dbraw/zinc/09/29/63/236092963.db2.gz PCFPVOPOLCFAMK-KSSFIOAISA-N 2 1 298.434 3.040 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424373413 236157651 /nfs/dbraw/zinc/15/76/51/236157651.db2.gz GTSBEVRMYPAFFM-SJORKVTESA-N 2 1 286.463 3.329 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C/C=C/c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424386466 236159282 /nfs/dbraw/zinc/15/92/82/236159282.db2.gz XCWYMKFAWKVFDG-FAAWYNLUSA-N 2 1 288.410 3.303 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(Cl)c1F)CC[NH2+]CC2 ZINC000424289137 236142870 /nfs/dbraw/zinc/14/28/70/236142870.db2.gz LSBFLYCVIVMFIH-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000294809571 199192219 /nfs/dbraw/zinc/19/22/19/199192219.db2.gz QGHHQBPUJLDNJP-GFCCVEGCSA-N 2 1 294.389 3.285 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000294809575 199192978 /nfs/dbraw/zinc/19/29/78/199192978.db2.gz QGHHQBPUJLDNJP-LBPRGKRZSA-N 2 1 294.389 3.285 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3ccoc32)CC[N@H+]1C ZINC000336221992 213048505 /nfs/dbraw/zinc/04/85/05/213048505.db2.gz CUKPKBNVWFYAHM-SWLSCSKDSA-N 2 1 258.365 3.005 20 0 CGADMP CC(C)[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000176750060 189007880 /nfs/dbraw/zinc/00/78/80/189007880.db2.gz UAGOZJSROGZVFZ-UHFFFAOYSA-N 2 1 253.777 3.020 20 0 CGADMP COc1cc(F)cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000341870066 216132957 /nfs/dbraw/zinc/13/29/57/216132957.db2.gz ASLMVPUJCIDTIN-UHFFFAOYSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H]([NH2+]CCCCCF)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000341906984 216145776 /nfs/dbraw/zinc/14/57/76/216145776.db2.gz VUNXXJQSNOMTHD-CABCVRRESA-N 2 1 270.436 3.369 20 0 CGADMP CC[C@@H](COC)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979881 189083020 /nfs/dbraw/zinc/08/30/20/189083020.db2.gz MWXWYQMIHITCBE-KRWDZBQOSA-N 2 1 278.440 3.041 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178538813 189125487 /nfs/dbraw/zinc/12/54/87/189125487.db2.gz VJOPHXKNLHMHID-OAHLLOKOSA-N 2 1 284.403 3.351 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178538813 189125488 /nfs/dbraw/zinc/12/54/88/189125488.db2.gz VJOPHXKNLHMHID-OAHLLOKOSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000178703752 189138777 /nfs/dbraw/zinc/13/87/77/189138777.db2.gz DURPOOJFKGNUOE-RDTXWAMCSA-N 2 1 283.419 3.413 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000178702181 189138815 /nfs/dbraw/zinc/13/88/15/189138815.db2.gz PHKRWFXXDQBRJZ-VXGBXAGGSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000178702168 189139045 /nfs/dbraw/zinc/13/90/45/189139045.db2.gz PHKRWFXXDQBRJZ-NWDGAFQWSA-N 2 1 293.361 3.457 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420368702 296020304 /nfs/dbraw/zinc/02/03/04/296020304.db2.gz IELCRNLUUPERDJ-DNVCBOLYSA-N 2 1 280.415 3.176 20 0 CGADMP C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420368702 296020307 /nfs/dbraw/zinc/02/03/07/296020307.db2.gz IELCRNLUUPERDJ-DNVCBOLYSA-N 2 1 280.415 3.176 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420368698 296020474 /nfs/dbraw/zinc/02/04/74/296020474.db2.gz IELCRNLUUPERDJ-BEFAXECRSA-N 2 1 280.415 3.176 20 0 CGADMP C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420368698 296020476 /nfs/dbraw/zinc/02/04/76/296020476.db2.gz IELCRNLUUPERDJ-BEFAXECRSA-N 2 1 280.415 3.176 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(Oc3ccccc3)c2)CCC1 ZINC000342134619 216231414 /nfs/dbraw/zinc/23/14/14/216231414.db2.gz KSLRKIZYKQRUDZ-UHFFFAOYSA-N 2 1 282.387 3.450 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)c(Cl)c1 ZINC000342136572 216234965 /nfs/dbraw/zinc/23/49/65/216234965.db2.gz QUCZHEILVWZWCU-SECBINFHSA-N 2 1 256.752 3.011 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000181181986 189290273 /nfs/dbraw/zinc/29/02/73/189290273.db2.gz ORDXWVOXARXCTR-BFHYXJOUSA-N 2 1 296.842 3.180 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173906 189290450 /nfs/dbraw/zinc/29/04/50/189290450.db2.gz NYEXTTMYZKYNOU-NFAWXSAZSA-N 2 1 296.842 3.180 20 0 CGADMP Cc1cc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301484851 201024247 /nfs/dbraw/zinc/02/42/47/201024247.db2.gz VYTZGGGLBUSUHY-OAHLLOKOSA-N 2 1 298.434 3.416 20 0 CGADMP Cc1cc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301484851 201024250 /nfs/dbraw/zinc/02/42/50/201024250.db2.gz VYTZGGGLBUSUHY-OAHLLOKOSA-N 2 1 298.434 3.416 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000445881131 238752901 /nfs/dbraw/zinc/75/29/01/238752901.db2.gz RHQVNTHCQCHNMA-LBPRGKRZSA-N 2 1 277.334 3.148 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184366697 189383971 /nfs/dbraw/zinc/38/39/71/189383971.db2.gz CPQALSRTKODPPE-AWEZNQCLSA-N 2 1 272.396 3.026 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH+](CC)CC)c1cccnc1 ZINC000184829964 189397008 /nfs/dbraw/zinc/39/70/08/189397008.db2.gz MGNQRMNZBNCCQU-MRXNPFEDSA-N 2 1 263.429 3.244 20 0 CGADMP Cc1cccc(CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000449038523 239137578 /nfs/dbraw/zinc/13/75/78/239137578.db2.gz VFSFWRNACAFEOS-IBGZPJMESA-N 2 1 286.463 3.201 20 0 CGADMP Cc1cccc(CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000449038523 239137581 /nfs/dbraw/zinc/13/75/81/239137581.db2.gz VFSFWRNACAFEOS-IBGZPJMESA-N 2 1 286.463 3.201 20 0 CGADMP Cc1cccc(CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000449038523 239137585 /nfs/dbraw/zinc/13/75/85/239137585.db2.gz VFSFWRNACAFEOS-IBGZPJMESA-N 2 1 286.463 3.201 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000449079790 239164288 /nfs/dbraw/zinc/16/42/88/239164288.db2.gz QAFRIFATCPCOHN-QLFBSQMISA-N 2 1 264.413 3.063 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000449079790 239164294 /nfs/dbraw/zinc/16/42/94/239164294.db2.gz QAFRIFATCPCOHN-QLFBSQMISA-N 2 1 264.413 3.063 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000449084209 239165840 /nfs/dbraw/zinc/16/58/40/239165840.db2.gz WWXVBQGHCIEHSK-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CCc1cc(N[C@H](C)C[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302094417 201338750 /nfs/dbraw/zinc/33/87/50/201338750.db2.gz NMAVQNLZZWZMIR-CQSZACIVSA-N 2 1 298.434 3.280 20 0 CGADMP CCc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302094417 201338754 /nfs/dbraw/zinc/33/87/54/201338754.db2.gz NMAVQNLZZWZMIR-CQSZACIVSA-N 2 1 298.434 3.280 20 0 CGADMP Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000449133177 239196425 /nfs/dbraw/zinc/19/64/25/239196425.db2.gz XOSIKGJJBKGPNF-OAHLLOKOSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000449133177 239196429 /nfs/dbraw/zinc/19/64/29/239196429.db2.gz XOSIKGJJBKGPNF-OAHLLOKOSA-N 2 1 278.415 3.344 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000120558248 370780091 /nfs/dbraw/zinc/78/00/91/370780091.db2.gz COGSYQCGEFQBHU-IJEWVQPXSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275367308 193011868 /nfs/dbraw/zinc/01/18/68/193011868.db2.gz BUCVMEKZPXWAMX-QZTJIDSGSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275403406 193023828 /nfs/dbraw/zinc/02/38/28/193023828.db2.gz ADLHNWOTMCQWJV-QZTJIDSGSA-N 2 1 283.419 3.193 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275418820 193028085 /nfs/dbraw/zinc/02/80/85/193028085.db2.gz BTNPNRRXGBUSRM-IEBWSBKVSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275496448 193058660 /nfs/dbraw/zinc/05/86/60/193058660.db2.gz LRDMMPYRYSOHEW-ZWKOTPCHSA-N 2 1 270.420 3.174 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000120920674 370812945 /nfs/dbraw/zinc/81/29/45/370812945.db2.gz VVXROXWNYCTVAI-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000275648146 193095768 /nfs/dbraw/zinc/09/57/68/193095768.db2.gz CHSPEHIIEFURMG-KYJSFNMBSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000275648146 193095770 /nfs/dbraw/zinc/09/57/70/193095770.db2.gz CHSPEHIIEFURMG-KYJSFNMBSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000275648146 193095772 /nfs/dbraw/zinc/09/57/72/193095772.db2.gz CHSPEHIIEFURMG-KYJSFNMBSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000480658634 243159733 /nfs/dbraw/zinc/15/97/33/243159733.db2.gz BFVZMLZYIMPKQR-HIFRSBDPSA-N 2 1 296.405 3.360 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000479694849 243120864 /nfs/dbraw/zinc/12/08/64/243120864.db2.gz QOZMAHODDZWVPH-QAPCUYQASA-N 2 1 272.436 3.254 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000479699768 243121325 /nfs/dbraw/zinc/12/13/25/243121325.db2.gz LKRVVQMXQXJQMS-GOSISDBHSA-N 2 1 274.452 3.329 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000480184372 243142180 /nfs/dbraw/zinc/14/21/80/243142180.db2.gz SJRBBLGCSYKATG-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP CC[N@H+]1CCC[C@H](CNCc2cc(Cl)cs2)C1 ZINC000486962160 243386763 /nfs/dbraw/zinc/38/67/63/243386763.db2.gz CWCSCOGGWBGJHT-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000486962160 243386771 /nfs/dbraw/zinc/38/67/71/243386771.db2.gz CWCSCOGGWBGJHT-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+]1CCCC1 ZINC000035451831 369003420 /nfs/dbraw/zinc/00/34/20/369003420.db2.gz ORUQVQFIEUXFQW-DOTOQJQBSA-N 2 1 278.440 3.311 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035012037 368989576 /nfs/dbraw/zinc/98/95/76/368989576.db2.gz BEBGFTUHKCLJNX-QFBILLFUSA-N 2 1 286.463 3.398 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)s1 ZINC000037118207 369062954 /nfs/dbraw/zinc/06/29/54/369062954.db2.gz FEASNIUFTHSYCA-LLVKDONJSA-N 2 1 252.427 3.110 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140869 369068245 /nfs/dbraw/zinc/06/82/45/369068245.db2.gz ISHAGNKKKYFLQG-AWEZNQCLSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649282 369097842 /nfs/dbraw/zinc/09/78/42/369097842.db2.gz GGQIDZCHARMEJX-GJZGRUSLSA-N 2 1 258.409 3.130 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000494923184 244331535 /nfs/dbraw/zinc/33/15/35/244331535.db2.gz LGIVZIHMIGFVNQ-KBUPBQIOSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000494923184 244331538 /nfs/dbraw/zinc/33/15/38/244331538.db2.gz LGIVZIHMIGFVNQ-KBUPBQIOSA-N 2 1 252.446 3.131 20 0 CGADMP c1sc2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000047892366 369330463 /nfs/dbraw/zinc/33/04/63/369330463.db2.gz IDZRGARLZYLXKG-ZDUSSCGKSA-N 2 1 286.444 3.475 20 0 CGADMP C[NH+](C)CCc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000276239305 193254195 /nfs/dbraw/zinc/25/41/95/193254195.db2.gz BYHLLVODRQWFSZ-UHFFFAOYSA-N 2 1 294.402 3.279 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000061328694 369598780 /nfs/dbraw/zinc/59/87/80/369598780.db2.gz JWGSXFUUTQVWDP-CQSZACIVSA-N 2 1 264.438 3.199 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccc1F ZINC000062077937 369618071 /nfs/dbraw/zinc/61/80/71/369618071.db2.gz JGWFOOVJEJHCOX-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000069754351 369770781 /nfs/dbraw/zinc/77/07/81/369770781.db2.gz BFOSNCOOMZEJGE-DOMZBBRYSA-N 2 1 273.380 3.088 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276596885 193394613 /nfs/dbraw/zinc/39/46/13/193394613.db2.gz AQYZAGKTUITABG-HNNXBMFYSA-N 2 1 275.440 3.163 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000070171396 369786303 /nfs/dbraw/zinc/78/63/03/369786303.db2.gz BABUHIVGNAPVQY-NWDGAFQWSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000070171396 369786307 /nfs/dbraw/zinc/78/63/07/369786307.db2.gz BABUHIVGNAPVQY-NWDGAFQWSA-N 2 1 286.341 3.265 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000072861095 369841582 /nfs/dbraw/zinc/84/15/82/369841582.db2.gz CPKPQIPLGMKXTC-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000072861095 369841586 /nfs/dbraw/zinc/84/15/86/369841586.db2.gz CPKPQIPLGMKXTC-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000072861095 369841589 /nfs/dbraw/zinc/84/15/89/369841589.db2.gz CPKPQIPLGMKXTC-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000072861095 369841593 /nfs/dbraw/zinc/84/15/93/369841593.db2.gz CPKPQIPLGMKXTC-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000076002620 369925345 /nfs/dbraw/zinc/92/53/45/369925345.db2.gz LAAWMDRTMJWXTP-HOTGVXAUSA-N 2 1 260.425 3.411 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000092043472 370089682 /nfs/dbraw/zinc/08/96/82/370089682.db2.gz CSCSQQFNORLHSH-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000092043472 370089685 /nfs/dbraw/zinc/08/96/85/370089685.db2.gz CSCSQQFNORLHSH-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000092043472 370089687 /nfs/dbraw/zinc/08/96/87/370089687.db2.gz CSCSQQFNORLHSH-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC000093088857 370108397 /nfs/dbraw/zinc/10/83/97/370108397.db2.gz BEKJHMBSYDRRJZ-UHFFFAOYSA-N 2 1 290.451 3.086 20 0 CGADMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093450859 370132780 /nfs/dbraw/zinc/13/27/80/370132780.db2.gz HMNTUUFDIOKXMB-CWRNSKLLSA-N 2 1 278.827 3.350 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3C2)cc1 ZINC000096245610 370208489 /nfs/dbraw/zinc/20/84/89/370208489.db2.gz ASBPIWRUISLZAB-KDURUIRLSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCCC4)C[C@H]3C2)cc1 ZINC000096245610 370208493 /nfs/dbraw/zinc/20/84/93/370208493.db2.gz ASBPIWRUISLZAB-KDURUIRLSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CCCC4)C[C@H]3C2)cc1 ZINC000096245610 370208497 /nfs/dbraw/zinc/20/84/97/370208497.db2.gz ASBPIWRUISLZAB-KDURUIRLSA-N 2 1 284.447 3.240 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000343971607 217000140 /nfs/dbraw/zinc/00/01/40/217000140.db2.gz CTPJAJCIDJUDTG-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000343971607 217000144 /nfs/dbraw/zinc/00/01/44/217000144.db2.gz CTPJAJCIDJUDTG-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129829196 371003261 /nfs/dbraw/zinc/00/32/61/371003261.db2.gz JTWLKOHHJOLUCX-HYVNUMGLSA-N 2 1 260.425 3.456 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129829196 371003270 /nfs/dbraw/zinc/00/32/70/371003270.db2.gz JTWLKOHHJOLUCX-HYVNUMGLSA-N 2 1 260.425 3.456 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000131913965 371138319 /nfs/dbraw/zinc/13/83/19/371138319.db2.gz MIHFQFWZRVYKMX-IAGOWNOFSA-N 2 1 252.361 3.229 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000131913586 371139344 /nfs/dbraw/zinc/13/93/44/371139344.db2.gz MIHFQFWZRVYKMX-DLBZAZTESA-N 2 1 252.361 3.229 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000132119509 371153740 /nfs/dbraw/zinc/15/37/40/371153740.db2.gz YANBRNVNXOVPNS-HNNXBMFYSA-N 2 1 294.414 3.217 20 0 CGADMP Cc1ccsc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132181025 371156599 /nfs/dbraw/zinc/15/65/99/371156599.db2.gz LHYJBABNRNIAOX-ZIAGYGMSSA-N 2 1 258.390 3.291 20 0 CGADMP C[N@H+](Cc1ccc2ncccc2c1)CC1CC[NH+](C)CC1 ZINC000132213288 371159026 /nfs/dbraw/zinc/15/90/26/371159026.db2.gz FKXVVGJLWOPHRU-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc12 ZINC000132215222 371159784 /nfs/dbraw/zinc/15/97/84/371159784.db2.gz MWLDMZYSKCCDMF-ZIAGYGMSSA-N 2 1 284.403 3.018 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000133438553 371251606 /nfs/dbraw/zinc/25/16/06/371251606.db2.gz RIODMDKXVORMBD-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000133438553 371251612 /nfs/dbraw/zinc/25/16/12/371251612.db2.gz RIODMDKXVORMBD-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000133438553 371251617 /nfs/dbraw/zinc/25/16/17/371251617.db2.gz RIODMDKXVORMBD-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000133634600 371268046 /nfs/dbraw/zinc/26/80/46/371268046.db2.gz NOZAUXHFWHDHEA-VNHYZAJKSA-N 2 1 296.842 3.037 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000134137204 371306060 /nfs/dbraw/zinc/30/60/60/371306060.db2.gz VIYPOVHUTYFECD-YJBOKZPZSA-N 2 1 292.442 3.467 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000134154783 371307239 /nfs/dbraw/zinc/30/72/39/371307239.db2.gz VLZIYIZLLCKARV-YSVLISHTSA-N 2 1 275.440 3.410 20 0 CGADMP CC(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000135254328 371405805 /nfs/dbraw/zinc/40/58/05/371405805.db2.gz ZMDMIMWVKPYMCK-AYHJJNSGSA-N 2 1 272.436 3.428 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000151098528 371567738 /nfs/dbraw/zinc/56/77/38/371567738.db2.gz KMBGBODYDGQGOU-HKUYNNGSSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000152009151 371665182 /nfs/dbraw/zinc/66/51/82/371665182.db2.gz JQHNYXOVYJHVLA-OVWQWFNUSA-N 2 1 274.452 3.417 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421821853 371642439 /nfs/dbraw/zinc/64/24/39/371642439.db2.gz ULROTYRKTMLGKJ-QWHCGFSZSA-N 2 1 298.833 3.342 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000421830685 371653453 /nfs/dbraw/zinc/65/34/53/371653453.db2.gz CLYQGUYXGGROFG-LBPRGKRZSA-N 2 1 296.817 3.262 20 0 CGADMP C[C@H](c1cc(F)ccc1F)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152451075 371695850 /nfs/dbraw/zinc/69/58/50/371695850.db2.gz COHPAJGFESAWSB-CHWSQXEVSA-N 2 1 282.378 3.299 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)C1 ZINC000153146169 371751693 /nfs/dbraw/zinc/75/16/93/371751693.db2.gz JJYTXUAYMMHOQX-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000422748853 371781951 /nfs/dbraw/zinc/78/19/51/371781951.db2.gz WNOKJDWNIUBNTK-KGLIPLIRSA-N 2 1 252.789 3.090 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337325676 214008483 /nfs/dbraw/zinc/00/84/83/214008483.db2.gz CBVRCNDHVGEDID-WMZOPIPTSA-N 2 1 289.467 3.428 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422827972 371831291 /nfs/dbraw/zinc/83/12/91/371831291.db2.gz AHFYZOZGYMNODQ-XOKHGSTOSA-N 2 1 290.476 3.137 20 0 CGADMP Fc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422778864 371801417 /nfs/dbraw/zinc/80/14/17/371801417.db2.gz FEVDDZYWGVBVGM-MOPGFXCFSA-N 2 1 298.405 3.451 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000422811441 371824535 /nfs/dbraw/zinc/82/45/35/371824535.db2.gz VYYIXEMQMCNSRS-MLGOLLRUSA-N 2 1 282.378 3.365 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422865376 371845192 /nfs/dbraw/zinc/84/51/92/371845192.db2.gz YAZSDDRWTHQHJB-CQSZACIVSA-N 2 1 283.419 3.431 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422916245 371868208 /nfs/dbraw/zinc/86/82/08/371868208.db2.gz CZWLHRJBHDVODE-MVJPYGJCSA-N 2 1 294.442 3.166 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000422930590 371877628 /nfs/dbraw/zinc/87/76/28/371877628.db2.gz VDRJTKRYAUEIBC-QLFBSQMISA-N 2 1 276.449 3.473 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423059582 371939694 /nfs/dbraw/zinc/93/96/94/371939694.db2.gz FYGLARLUJYRITL-XBVQOTNRSA-N 2 1 258.409 3.258 20 0 CGADMP COc1cc(C)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423000294 371908571 /nfs/dbraw/zinc/90/85/71/371908571.db2.gz GOBOEABWQAHVNX-HNAYVOBHSA-N 2 1 298.430 3.052 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C1CCCC1)c1c[nH+]ccc1N ZINC000423005073 371912426 /nfs/dbraw/zinc/91/24/26/371912426.db2.gz QPEZLIXZBUKAEY-LBPRGKRZSA-N 2 1 261.413 3.361 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNc2cccc(F)c2)c2ccccc21 ZINC000423031954 371925258 /nfs/dbraw/zinc/92/52/58/371925258.db2.gz LUUQJSNVQMOMNK-QZTJIDSGSA-N 2 1 299.393 3.362 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423092611 371957627 /nfs/dbraw/zinc/95/76/27/371957627.db2.gz CQKVXDOGNOWWOW-UIBBOPPKSA-N 2 1 278.827 3.316 20 0 CGADMP Cc1cscc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423091684 371957740 /nfs/dbraw/zinc/95/77/40/371957740.db2.gz YDULBEVVFWUJGP-XJKSGUPXSA-N 2 1 274.433 3.105 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C)c1c[nH+]ccc1N ZINC000423093613 371959161 /nfs/dbraw/zinc/95/91/61/371959161.db2.gz IEPBDMRPLWZSPR-XUXIUFHCSA-N 2 1 261.413 3.217 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423094729 371961143 /nfs/dbraw/zinc/96/11/43/371961143.db2.gz KQBOEDSQAYSTOJ-JHJVBQTASA-N 2 1 285.366 3.230 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000290318935 371962018 /nfs/dbraw/zinc/96/20/18/371962018.db2.gz CVOYRFCANVHLQT-WMLDXEAASA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000290318935 371962021 /nfs/dbraw/zinc/96/20/21/371962021.db2.gz CVOYRFCANVHLQT-WMLDXEAASA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000290318935 371962024 /nfs/dbraw/zinc/96/20/24/371962024.db2.gz CVOYRFCANVHLQT-WMLDXEAASA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000290318935 371962025 /nfs/dbraw/zinc/96/20/25/371962025.db2.gz CVOYRFCANVHLQT-WMLDXEAASA-N 2 1 260.425 3.075 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCCC1 ZINC000156175067 371965597 /nfs/dbraw/zinc/96/55/97/371965597.db2.gz UTLJIIGMPAXHCP-IJEWVQPXSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCCC1 ZINC000156175067 371965603 /nfs/dbraw/zinc/96/56/03/371965603.db2.gz UTLJIIGMPAXHCP-IJEWVQPXSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](CCC[NH3+])[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423114953 371973802 /nfs/dbraw/zinc/97/38/02/371973802.db2.gz WMSWKJSOHNQGFB-JTQLQIEISA-N 2 1 276.758 3.149 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000156561888 371985092 /nfs/dbraw/zinc/98/50/92/371985092.db2.gz QUKLLDKILKHNFS-UMVBOHGHSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000156561888 371985096 /nfs/dbraw/zinc/98/50/96/371985096.db2.gz QUKLLDKILKHNFS-UMVBOHGHSA-N 2 1 264.388 3.267 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423142423 371988122 /nfs/dbraw/zinc/98/81/22/371988122.db2.gz VDLLQYXIYTYWHB-BSDSXHPESA-N 2 1 295.515 3.007 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290468392 371995366 /nfs/dbraw/zinc/99/53/66/371995366.db2.gz NIJQLDVXQFABHI-IIDMSEBBSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290468392 371995370 /nfs/dbraw/zinc/99/53/70/371995370.db2.gz NIJQLDVXQFABHI-IIDMSEBBSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000290468392 371995374 /nfs/dbraw/zinc/99/53/74/371995374.db2.gz NIJQLDVXQFABHI-IIDMSEBBSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000290468392 371995379 /nfs/dbraw/zinc/99/53/79/371995379.db2.gz NIJQLDVXQFABHI-IIDMSEBBSA-N 2 1 292.442 3.419 20 0 CGADMP CSCC1CCC([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000423163190 371998329 /nfs/dbraw/zinc/99/83/29/371998329.db2.gz VELAHFKLDITUMA-HIFPTAJRSA-N 2 1 279.453 3.067 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CCCCCC1 ZINC000423201610 372024629 /nfs/dbraw/zinc/02/46/29/372024629.db2.gz PCRHFGAFKVZMBQ-MRXNPFEDSA-N 2 1 288.435 3.411 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423202295 372027104 /nfs/dbraw/zinc/02/71/04/372027104.db2.gz QQOIILPTBXSPLH-SNVBAGLBSA-N 2 1 266.772 3.346 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(Cl)c1 ZINC000423279348 372046203 /nfs/dbraw/zinc/04/62/03/372046203.db2.gz RLLPYMDQJOYDAB-KGLIPLIRSA-N 2 1 252.789 3.118 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423280012 372048519 /nfs/dbraw/zinc/04/85/19/372048519.db2.gz UATSNVCWKKJZKI-RDTXWAMCSA-N 2 1 286.394 3.360 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000158265743 372061798 /nfs/dbraw/zinc/06/17/98/372061798.db2.gz LRNPVKLQOUKFDH-GJZGRUSLSA-N 2 1 278.415 3.435 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000423295208 372048672 /nfs/dbraw/zinc/04/86/72/372048672.db2.gz DPZLUDKXFPZXQQ-QZTJIDSGSA-N 2 1 274.452 3.423 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000158265896 372062148 /nfs/dbraw/zinc/06/21/48/372062148.db2.gz LRNPVKLQOUKFDH-HUUCEWRRSA-N 2 1 278.415 3.435 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185746 372058834 /nfs/dbraw/zinc/05/88/34/372058834.db2.gz RWZHTOPEBZIWFH-STQMWFEESA-N 2 1 278.465 3.229 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185746 372058838 /nfs/dbraw/zinc/05/88/38/372058838.db2.gz RWZHTOPEBZIWFH-STQMWFEESA-N 2 1 278.465 3.229 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423181116 372009236 /nfs/dbraw/zinc/00/92/36/372009236.db2.gz FNNIAGFMGJRZDI-YESZJQIVSA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(F)ccc1F ZINC000425938503 372146176 /nfs/dbraw/zinc/14/61/76/372146176.db2.gz XLDNDHUHHFKAGY-LRDDRELGSA-N 2 1 284.394 3.449 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000159271243 372125302 /nfs/dbraw/zinc/12/53/02/372125302.db2.gz ODMASQLOTXMGMX-KRWDZBQOSA-N 2 1 276.424 3.220 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC000429006324 372303007 /nfs/dbraw/zinc/30/30/07/372303007.db2.gz ZSZAHCYUDKIWLY-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC000429006324 372303017 /nfs/dbraw/zinc/30/30/17/372303017.db2.gz ZSZAHCYUDKIWLY-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC000429006324 372303021 /nfs/dbraw/zinc/30/30/21/372303021.db2.gz ZSZAHCYUDKIWLY-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428870444 372275798 /nfs/dbraw/zinc/27/57/98/372275798.db2.gz YBLUGWBTCSDONL-UHFFFAOYSA-N 2 1 290.354 3.118 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(F)(F)F ZINC000429233970 372325382 /nfs/dbraw/zinc/32/53/82/372325382.db2.gz FSRDDWRZGBDWJB-UHFFFAOYSA-N 2 1 277.334 3.110 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(F)(F)F ZINC000429233970 372325388 /nfs/dbraw/zinc/32/53/88/372325388.db2.gz FSRDDWRZGBDWJB-UHFFFAOYSA-N 2 1 277.334 3.110 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000429527599 372373635 /nfs/dbraw/zinc/37/36/35/372373635.db2.gz MVEMSXQFVBXXGN-DOTOQJQBSA-N 2 1 294.483 3.188 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000429527599 372373645 /nfs/dbraw/zinc/37/36/45/372373645.db2.gz MVEMSXQFVBXXGN-DOTOQJQBSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000293409388 372376535 /nfs/dbraw/zinc/37/65/35/372376535.db2.gz YVHLAXYQTFTPIY-UHFFFAOYSA-N 2 1 270.420 3.306 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCCc2ccccc2)CC[N@H+]1C ZINC000162433859 372394741 /nfs/dbraw/zinc/39/47/41/372394741.db2.gz CZBSISJELLQYBE-SJLPKXTDSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430958533 372410448 /nfs/dbraw/zinc/41/04/48/372410448.db2.gz YFTONIIGPXKYDL-DNVCBOLYSA-N 2 1 282.431 3.442 20 0 CGADMP CC(C)(C)c1cccc(OCCC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430965579 372412228 /nfs/dbraw/zinc/41/22/28/372412228.db2.gz KFOYZZYTRAVZJZ-HNNXBMFYSA-N 2 1 290.451 3.034 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000344404511 217182323 /nfs/dbraw/zinc/18/23/23/217182323.db2.gz FCJVXGSTKTZJBD-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000344404511 217182324 /nfs/dbraw/zinc/18/23/24/217182324.db2.gz FCJVXGSTKTZJBD-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000163224541 372456382 /nfs/dbraw/zinc/45/63/82/372456382.db2.gz SSQIJVWKPCQJCL-ZFWWWQNUSA-N 2 1 254.377 3.009 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000293733655 372464906 /nfs/dbraw/zinc/46/49/06/372464906.db2.gz OPBQKYHBPMKHQR-GZMRBYKVSA-N 2 1 290.426 3.390 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000163878126 372496972 /nfs/dbraw/zinc/49/69/72/372496972.db2.gz ZNOXACOQNMDSAK-AWEZNQCLSA-N 2 1 281.419 3.383 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccnc1 ZINC000164152370 372510571 /nfs/dbraw/zinc/51/05/71/372510571.db2.gz OPWRVEJIMGYUEU-CYGHRXIMSA-N 2 1 289.467 3.140 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)C[NH+](C)C ZINC000293905890 372519471 /nfs/dbraw/zinc/51/94/71/372519471.db2.gz ZUMAVDYXZLVOBT-BXUZGUMPSA-N 2 1 282.428 3.150 20 0 CGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1C ZINC000294166888 372600226 /nfs/dbraw/zinc/60/02/26/372600226.db2.gz IXDKZYVNVMXZIA-CABCVRRESA-N 2 1 264.438 3.115 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1C ZINC000294166888 372600232 /nfs/dbraw/zinc/60/02/32/372600232.db2.gz IXDKZYVNVMXZIA-CABCVRRESA-N 2 1 264.438 3.115 20 0 CGADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432259783 372554108 /nfs/dbraw/zinc/55/41/08/372554108.db2.gz QJSQVERGXQYOOX-UHFFFAOYSA-N 2 1 291.247 3.406 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432259783 372554112 /nfs/dbraw/zinc/55/41/12/372554112.db2.gz QJSQVERGXQYOOX-UHFFFAOYSA-N 2 1 291.247 3.406 20 0 CGADMP COc1ccc(F)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000294038867 372563192 /nfs/dbraw/zinc/56/31/92/372563192.db2.gz IPGMLTDNBZPXIG-UHFFFAOYSA-N 2 1 294.414 3.233 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000166558034 372576179 /nfs/dbraw/zinc/57/61/79/372576179.db2.gz TYYFBNJVELJPPZ-XJKSGUPXSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000166537824 372576439 /nfs/dbraw/zinc/57/64/39/372576439.db2.gz AHYQRAFCPRPCOH-MRXNPFEDSA-N 2 1 264.388 3.351 20 0 CGADMP CCCOc1cc(C)ccc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167676141 372599652 /nfs/dbraw/zinc/59/96/52/372599652.db2.gz YPDHDCHOYWPDFT-DOTOQJQBSA-N 2 1 290.451 3.214 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000167676141 372599660 /nfs/dbraw/zinc/59/96/60/372599660.db2.gz YPDHDCHOYWPDFT-DOTOQJQBSA-N 2 1 290.451 3.214 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000167676141 372599672 /nfs/dbraw/zinc/59/96/72/372599672.db2.gz YPDHDCHOYWPDFT-DOTOQJQBSA-N 2 1 290.451 3.214 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167676141 372599679 /nfs/dbraw/zinc/59/96/79/372599679.db2.gz YPDHDCHOYWPDFT-DOTOQJQBSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1ccc([C@]2(C)CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000434747967 372706046 /nfs/dbraw/zinc/70/60/46/372706046.db2.gz NUINQESVNFBSSQ-RBUKOAKNSA-N 2 1 286.463 3.443 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000434747967 372706057 /nfs/dbraw/zinc/70/60/57/372706057.db2.gz NUINQESVNFBSSQ-RBUKOAKNSA-N 2 1 286.463 3.443 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000434747967 372706069 /nfs/dbraw/zinc/70/60/69/372706069.db2.gz NUINQESVNFBSSQ-RBUKOAKNSA-N 2 1 286.463 3.443 20 0 CGADMP CC[N@H+](Cc1cnc(CC(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435386718 372755104 /nfs/dbraw/zinc/75/51/04/372755104.db2.gz VITCZZNDGURGJB-CQSZACIVSA-N 2 1 295.496 3.306 20 0 CGADMP CC[N@@H+](Cc1cnc(CC(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435386718 372755110 /nfs/dbraw/zinc/75/51/10/372755110.db2.gz VITCZZNDGURGJB-CQSZACIVSA-N 2 1 295.496 3.306 20 0 CGADMP CC[N@@H+](Cc1ccc(OC(C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435387019 372755312 /nfs/dbraw/zinc/75/53/12/372755312.db2.gz WHFAXJMTRALCIN-QGZVFWFLSA-N 2 1 290.451 3.438 20 0 CGADMP CC[N@@H+](Cc1cccc(OC(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435394855 372759327 /nfs/dbraw/zinc/75/93/27/372759327.db2.gz PGACKQHDSZPSMH-AWEZNQCLSA-N 2 1 298.377 3.252 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435397024 372760444 /nfs/dbraw/zinc/76/04/44/372760444.db2.gz BUMMXZSHOUJYLA-AWEZNQCLSA-N 2 1 270.376 3.117 20 0 CGADMP C[NH2+]CCC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000435871699 372820796 /nfs/dbraw/zinc/82/07/96/372820796.db2.gz LFRQVBLTKNIVAT-IBGZPJMESA-N 2 1 280.415 3.244 20 0 CGADMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435743394 372801634 /nfs/dbraw/zinc/80/16/34/372801634.db2.gz RNNKALDXAGWKHQ-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH+]1 ZINC000171651482 372802400 /nfs/dbraw/zinc/80/24/00/372802400.db2.gz BDPBVNJGEUCSJY-SFHVURJKSA-N 2 1 295.430 3.367 20 0 CGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH+]1 ZINC000171651482 372802407 /nfs/dbraw/zinc/80/24/07/372802407.db2.gz BDPBVNJGEUCSJY-SFHVURJKSA-N 2 1 295.430 3.367 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000438114197 372887634 /nfs/dbraw/zinc/88/76/34/372887634.db2.gz DJJBLBFDAKANBC-HOTGVXAUSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCCOc2ccccc2)CC[N@H+]1C ZINC000438182394 372905118 /nfs/dbraw/zinc/90/51/18/372905118.db2.gz HABYGPFSQXDYNC-IRXDYDNUSA-N 2 1 290.451 3.308 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000438196837 372910442 /nfs/dbraw/zinc/91/04/42/372910442.db2.gz ACINBUHBJZLDKV-OAGGEKHMSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000438196837 372910448 /nfs/dbraw/zinc/91/04/48/372910448.db2.gz ACINBUHBJZLDKV-OAGGEKHMSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC000295856133 372934707 /nfs/dbraw/zinc/93/47/07/372934707.db2.gz FFBIXCMTGMMCLK-BSMOJHTGSA-N 2 1 280.362 3.241 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)cc(F)c1 ZINC000295856133 372934714 /nfs/dbraw/zinc/93/47/14/372934714.db2.gz FFBIXCMTGMMCLK-BSMOJHTGSA-N 2 1 280.362 3.241 20 0 CGADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296052817 373006365 /nfs/dbraw/zinc/00/63/65/373006365.db2.gz VHSZCNXBUFSJJV-ZEIKAYMKSA-N 2 1 270.420 3.135 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214953 373054926 /nfs/dbraw/zinc/05/49/26/373054926.db2.gz ZYIAMXFGZPUZGE-IGCXYCKISA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214953 373054936 /nfs/dbraw/zinc/05/49/36/373054936.db2.gz ZYIAMXFGZPUZGE-IGCXYCKISA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214953 373054945 /nfs/dbraw/zinc/05/49/45/373054945.db2.gz ZYIAMXFGZPUZGE-IGCXYCKISA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214953 373054953 /nfs/dbraw/zinc/05/49/53/373054953.db2.gz ZYIAMXFGZPUZGE-IGCXYCKISA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214953 373054960 /nfs/dbraw/zinc/05/49/60/373054960.db2.gz ZYIAMXFGZPUZGE-IGCXYCKISA-N 2 1 296.405 3.340 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172843058 373046556 /nfs/dbraw/zinc/04/65/56/373046556.db2.gz QYONCABRSFKXIL-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172843058 373046559 /nfs/dbraw/zinc/04/65/59/373046559.db2.gz QYONCABRSFKXIL-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172843058 373046566 /nfs/dbraw/zinc/04/65/66/373046566.db2.gz QYONCABRSFKXIL-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172843058 373046573 /nfs/dbraw/zinc/04/65/73/373046573.db2.gz QYONCABRSFKXIL-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccc2ccccc2c1 ZINC000442759980 373073330 /nfs/dbraw/zinc/07/33/30/373073330.db2.gz MMTBBPCMXAAPBK-GOEBONIOSA-N 2 1 268.404 3.051 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(F)ncc1F ZINC000296520963 373163620 /nfs/dbraw/zinc/16/36/20/373163620.db2.gz SCIZPMQLAPDRKG-CYBMUJFWSA-N 2 1 297.393 3.104 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000442918341 373128742 /nfs/dbraw/zinc/12/87/42/373128742.db2.gz GRRKAAVPNNEGIX-INIZCTEOSA-N 2 1 295.430 3.309 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443055742 373146600 /nfs/dbraw/zinc/14/66/00/373146600.db2.gz BOIQFCHYQVRTGB-HUUCEWRRSA-N 2 1 299.418 3.463 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444592066 373205147 /nfs/dbraw/zinc/20/51/47/373205147.db2.gz FREXRLIMVZYSHN-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000444693873 373239501 /nfs/dbraw/zinc/23/95/01/373239501.db2.gz ATAMOUDNKSTFNA-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000444693873 373239507 /nfs/dbraw/zinc/23/95/07/373239507.db2.gz ATAMOUDNKSTFNA-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)c1 ZINC000444693873 373239512 /nfs/dbraw/zinc/23/95/12/373239512.db2.gz ATAMOUDNKSTFNA-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174629633 373346345 /nfs/dbraw/zinc/34/63/45/373346345.db2.gz PMNUCNCYHLFJOP-PWSUYJOCSA-N 2 1 272.845 3.221 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174629633 373346349 /nfs/dbraw/zinc/34/63/49/373346349.db2.gz PMNUCNCYHLFJOP-PWSUYJOCSA-N 2 1 272.845 3.221 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000174629058 373346437 /nfs/dbraw/zinc/34/64/37/373346437.db2.gz KVRXRZIQGZRNLH-IUODEOHRSA-N 2 1 296.842 3.169 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000174629058 373346438 /nfs/dbraw/zinc/34/64/38/373346438.db2.gz KVRXRZIQGZRNLH-IUODEOHRSA-N 2 1 296.842 3.169 20 0 CGADMP Clc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000299330399 373508404 /nfs/dbraw/zinc/50/84/04/373508404.db2.gz LADGXBTZTPFSFD-UHFFFAOYSA-N 2 1 278.827 3.447 20 0 CGADMP CC[N@H+]1CCC[C@H](CNCc2ncc(C(C)(C)C)s2)C1 ZINC000447898714 373519284 /nfs/dbraw/zinc/51/92/84/373519284.db2.gz YGAVQAOYCXVXKO-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CC(C)(C)C)C1 ZINC000448555786 373591489 /nfs/dbraw/zinc/59/14/89/373591489.db2.gz VHXJAOHXIVWCLC-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000448555786 373591493 /nfs/dbraw/zinc/59/14/93/373591493.db2.gz VHXJAOHXIVWCLC-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000448555786 373591498 /nfs/dbraw/zinc/59/14/98/373591498.db2.gz VHXJAOHXIVWCLC-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449078859 373661754 /nfs/dbraw/zinc/66/17/54/373661754.db2.gz WHRIZKCDQAEIGT-AESZEHBQSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449182707 373668361 /nfs/dbraw/zinc/66/83/61/373668361.db2.gz KEJLLNSYQBNTHV-QGZVFWFLSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000177264146 373669877 /nfs/dbraw/zinc/66/98/77/373669877.db2.gz STLJDAWQPIZGJL-HOTGVXAUSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000177264146 373669887 /nfs/dbraw/zinc/66/98/87/373669887.db2.gz STLJDAWQPIZGJL-HOTGVXAUSA-N 2 1 273.424 3.093 20 0 CGADMP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177889956 373722804 /nfs/dbraw/zinc/72/28/04/373722804.db2.gz WDWGAADLDIICLP-OAGGEKHMSA-N 2 1 290.451 3.184 20 0 CGADMP CCCC[C@H](CC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178706396 373806738 /nfs/dbraw/zinc/80/67/38/373806738.db2.gz CDJMNKVMPJTNCG-ZFWWWQNUSA-N 2 1 251.418 3.386 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000070344092 541892496 /nfs/dbraw/zinc/89/24/96/541892496.db2.gz QOKVQXYIVSTATA-ZWKOTPCHSA-N 2 1 290.451 3.056 20 0 CGADMP CC1CC[NH+](CCCNc2cc[nH+]cc2Cl)CC1 ZINC000301601972 373789527 /nfs/dbraw/zinc/78/95/27/373789527.db2.gz VWTSRTOSUSQOMV-UHFFFAOYSA-N 2 1 267.804 3.269 20 0 CGADMP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000302604854 373904179 /nfs/dbraw/zinc/90/41/79/373904179.db2.gz ZKNCEBKBCRHATB-CRAIPNDOSA-N 2 1 281.403 3.465 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2cc3ccccc3o2)CC[N@H+]1C ZINC000181089171 374079133 /nfs/dbraw/zinc/07/91/33/374079133.db2.gz RSKVMLMAVMNSOB-ZFWWWQNUSA-N 2 1 272.392 3.048 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2CCCC2)CC[N@H+]1C ZINC000181688584 374156344 /nfs/dbraw/zinc/15/63/44/374156344.db2.gz FYACOTFOPBUABC-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308771912 374179574 /nfs/dbraw/zinc/17/95/74/374179574.db2.gz XPQHPDCUKGRUEO-DZGCQCFKSA-N 2 1 250.430 3.053 20 0 CGADMP CC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309972783 374203747 /nfs/dbraw/zinc/20/37/47/374203747.db2.gz OQAGZGYIFGWPIA-JQHSSLGASA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309972783 374203753 /nfs/dbraw/zinc/20/37/53/374203753.db2.gz OQAGZGYIFGWPIA-JQHSSLGASA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309972783 374203759 /nfs/dbraw/zinc/20/37/59/374203759.db2.gz OQAGZGYIFGWPIA-JQHSSLGASA-N 2 1 272.436 3.239 20 0 CGADMP CC(C)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309976666 374204769 /nfs/dbraw/zinc/20/47/69/374204769.db2.gz ROWQULHKXAQGFM-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309976666 374204772 /nfs/dbraw/zinc/20/47/72/374204772.db2.gz ROWQULHKXAQGFM-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309976666 374204778 /nfs/dbraw/zinc/20/47/78/374204778.db2.gz ROWQULHKXAQGFM-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182042302 374209389 /nfs/dbraw/zinc/20/93/89/374209389.db2.gz DFRLLCYMQKUSOY-IEBWSBKVSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](C[N@@H+](C)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000311089352 374233747 /nfs/dbraw/zinc/23/37/47/374233747.db2.gz QNFCTCRFPNYERR-AWEZNQCLSA-N 2 1 252.446 3.134 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000312295768 374275687 /nfs/dbraw/zinc/27/56/87/374275687.db2.gz ATXMUVHUAXINNI-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000311236262 374237352 /nfs/dbraw/zinc/23/73/52/374237352.db2.gz WJSVOQPTKDAVTP-YCPHGPKFSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000452106759 374238497 /nfs/dbraw/zinc/23/84/97/374238497.db2.gz QYQHFZBLKSADKC-UHFFFAOYSA-N 2 1 263.429 3.481 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000452106759 374238502 /nfs/dbraw/zinc/23/85/02/374238502.db2.gz QYQHFZBLKSADKC-UHFFFAOYSA-N 2 1 263.429 3.481 20 0 CGADMP C[N@@H+](CCCCCF)C1CCN(CCC(F)(F)F)CC1 ZINC000452122120 374242564 /nfs/dbraw/zinc/24/25/64/374242564.db2.gz UQONVJXPWOKLFT-UHFFFAOYSA-N 2 1 298.368 3.475 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)C[NH+](C)C ZINC000311561986 374248180 /nfs/dbraw/zinc/24/81/80/374248180.db2.gz SEMIOTGOVAZURN-RYUDHWBXSA-N 2 1 277.437 3.145 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182593064 374296095 /nfs/dbraw/zinc/29/60/95/374296095.db2.gz UECWPOGFEDCXKE-ZOBUZTSGSA-N 2 1 262.441 3.053 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C)no1 ZINC000313999117 374310430 /nfs/dbraw/zinc/31/04/30/374310430.db2.gz DJHNKPZHKSSMIW-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079342830 541921216 /nfs/dbraw/zinc/92/12/16/541921216.db2.gz ODTPGDWUQNWNBB-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)[C@@H](C)C1 ZINC000453330214 374424227 /nfs/dbraw/zinc/42/42/27/374424227.db2.gz AWLLDGZVGBXDQI-XLAORIBOSA-N 2 1 296.499 3.005 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086907437 541942504 /nfs/dbraw/zinc/94/25/04/541942504.db2.gz RGEIPQFWBHRIFL-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000090586942 541962665 /nfs/dbraw/zinc/96/26/65/541962665.db2.gz JZOPYUZQNAHVIL-HIFRSBDPSA-N 2 1 295.496 3.470 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000090586942 541962672 /nfs/dbraw/zinc/96/26/72/541962672.db2.gz JZOPYUZQNAHVIL-HIFRSBDPSA-N 2 1 295.496 3.470 20 0 CGADMP CC1(C)CC([NH2+][C@H]2CCCc3cccnc32)CC(C)(C)[NH2+]1 ZINC000091660380 541968166 /nfs/dbraw/zinc/96/81/66/541968166.db2.gz ZBYBSIJNJOCNEQ-HNNXBMFYSA-N 2 1 287.451 3.358 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000185468346 374667540 /nfs/dbraw/zinc/66/75/40/374667540.db2.gz UFMQBNWWRMFPHU-AWEZNQCLSA-N 2 1 294.414 3.133 20 0 CGADMP CCCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667256 374709751 /nfs/dbraw/zinc/70/97/51/374709751.db2.gz WJJCENQAWDKNKS-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000094357717 541986682 /nfs/dbraw/zinc/98/66/82/541986682.db2.gz MTTICUFBTUKLTO-IAGOWNOFSA-N 2 1 270.420 3.280 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000334672809 374962830 /nfs/dbraw/zinc/96/28/30/374962830.db2.gz YAKLVIQXAWXNOU-INIZCTEOSA-N 2 1 282.497 3.078 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000334672809 374962835 /nfs/dbraw/zinc/96/28/35/374962835.db2.gz YAKLVIQXAWXNOU-INIZCTEOSA-N 2 1 282.497 3.078 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+]1CCCC1 ZINC000474050451 375074585 /nfs/dbraw/zinc/07/45/85/375074585.db2.gz HJIARLKZPGHXAY-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187708721 375077857 /nfs/dbraw/zinc/07/78/57/375077857.db2.gz SXBOMWVXKNXNST-ROUUACIJSA-N 2 1 272.436 3.181 20 0 CGADMP C[C@H]1CCCC[C@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475125613 375130019 /nfs/dbraw/zinc/13/00/19/375130019.db2.gz UMXKYOFVMWGRPW-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000188008978 375138540 /nfs/dbraw/zinc/13/85/40/375138540.db2.gz AMIKAJMZDSCWPR-FMKPAKJESA-N 2 1 296.480 3.003 20 0 CGADMP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000188008978 375138551 /nfs/dbraw/zinc/13/85/51/375138551.db2.gz AMIKAJMZDSCWPR-FMKPAKJESA-N 2 1 296.480 3.003 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[C@@H]1C ZINC000481990524 375167116 /nfs/dbraw/zinc/16/71/16/375167116.db2.gz JLZHDENEDMFROO-KPLDXPABSA-N 2 1 266.473 3.377 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C(CC)CC)[NH+](C)C ZINC000474471138 375113964 /nfs/dbraw/zinc/11/39/64/375113964.db2.gz FWMJRNKAFLWPJG-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C2CC2)[NH+](C)C)cc1 ZINC000474619674 375121452 /nfs/dbraw/zinc/12/14/52/375121452.db2.gz UYGBQERXORCOSC-HBUWYVDXSA-N 2 1 290.451 3.117 20 0 CGADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC1(C)C ZINC000487275393 375216283 /nfs/dbraw/zinc/21/62/83/375216283.db2.gz WBFKLQFTVWRCSJ-JKSUJKDBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[C@H]1[N@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H](C)C1 ZINC000488733394 375312591 /nfs/dbraw/zinc/31/25/91/375312591.db2.gz PBQAQHUQOPCOOP-ZRGWGRIASA-N 2 1 295.430 3.401 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc2ccccc2o1 ZINC000335694550 375353324 /nfs/dbraw/zinc/35/33/24/375353324.db2.gz AZCURDCPDPBUJK-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccccc2o1 ZINC000335694550 375353328 /nfs/dbraw/zinc/35/33/28/375353328.db2.gz AZCURDCPDPBUJK-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccccc2o1 ZINC000335694550 375353334 /nfs/dbraw/zinc/35/33/34/375353334.db2.gz AZCURDCPDPBUJK-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2ccccc2o1 ZINC000335694550 375353339 /nfs/dbraw/zinc/35/33/39/375353339.db2.gz AZCURDCPDPBUJK-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000189277784 375353991 /nfs/dbraw/zinc/35/39/91/375353991.db2.gz GQZPXJYGVVSIAZ-QGZVFWFLSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335817402 375455601 /nfs/dbraw/zinc/45/56/01/375455601.db2.gz DANQURDRHOATPN-GJZGRUSLSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335817402 375455607 /nfs/dbraw/zinc/45/56/07/375455607.db2.gz DANQURDRHOATPN-GJZGRUSLSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335817402 375455613 /nfs/dbraw/zinc/45/56/13/375455613.db2.gz DANQURDRHOATPN-GJZGRUSLSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000335817402 375455617 /nfs/dbraw/zinc/45/56/17/375455617.db2.gz DANQURDRHOATPN-GJZGRUSLSA-N 2 1 291.439 3.023 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1c[nH]c2ccccc12 ZINC000190491977 375515205 /nfs/dbraw/zinc/51/52/05/375515205.db2.gz WGTZEMPPSFZFIL-MRXNPFEDSA-N 2 1 285.435 3.474 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1c[nH]c2ccccc12 ZINC000190491977 375515210 /nfs/dbraw/zinc/51/52/10/375515210.db2.gz WGTZEMPPSFZFIL-MRXNPFEDSA-N 2 1 285.435 3.474 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1c[nH]c2ccccc12 ZINC000190491977 375515217 /nfs/dbraw/zinc/51/52/17/375515217.db2.gz WGTZEMPPSFZFIL-MRXNPFEDSA-N 2 1 285.435 3.474 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H](C)C1 ZINC000335959612 375572673 /nfs/dbraw/zinc/57/26/73/375572673.db2.gz HJOFTBAXUFCHLZ-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000336005108 375611710 /nfs/dbraw/zinc/61/17/10/375611710.db2.gz POOHTJKNOLWTGG-LLVKDONJSA-N 2 1 296.201 3.364 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000121045860 542015356 /nfs/dbraw/zinc/01/53/56/542015356.db2.gz PJDCYEWGTFYZDH-DIFFPNOSSA-N 2 1 292.373 3.026 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000192595174 375767521 /nfs/dbraw/zinc/76/75/21/375767521.db2.gz CEYILRBCHYJVBX-DLBZAZTESA-N 2 1 287.451 3.481 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192817334 375793151 /nfs/dbraw/zinc/79/31/51/375793151.db2.gz AJTQBRSDCHJCGT-AYHJJNSGSA-N 2 1 286.463 3.487 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000193138919 375832157 /nfs/dbraw/zinc/83/21/57/375832157.db2.gz XJGQWPBOERCENA-WDEREUQCSA-N 2 1 272.845 3.364 20 0 CGADMP CCCNc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000193150558 375834004 /nfs/dbraw/zinc/83/40/04/375834004.db2.gz YMUHLTFBUHLCOC-UHFFFAOYSA-N 2 1 298.434 3.259 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654626 375895065 /nfs/dbraw/zinc/89/50/65/375895065.db2.gz CTGZYGATCNJENT-LMSBXDPUSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000336656017 375897065 /nfs/dbraw/zinc/89/70/65/375897065.db2.gz JVRBZLPZLVGJDU-VYDXJSESSA-N 2 1 260.425 3.143 20 0 CGADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000193667032 375906206 /nfs/dbraw/zinc/90/62/06/375906206.db2.gz MTYDTVVPXLGIIC-CVEARBPZSA-N 2 1 296.842 3.101 20 0 CGADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000193667032 375906215 /nfs/dbraw/zinc/90/62/15/375906215.db2.gz MTYDTVVPXLGIIC-CVEARBPZSA-N 2 1 296.842 3.101 20 0 CGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1C ZINC000194293179 375980348 /nfs/dbraw/zinc/98/03/48/375980348.db2.gz SQDYTVHNNBYTMA-KRWDZBQOSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000336823848 375981330 /nfs/dbraw/zinc/98/13/30/375981330.db2.gz RNQACQPTWANKGH-UHFFFAOYSA-N 2 1 287.329 3.166 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000336823848 375981335 /nfs/dbraw/zinc/98/13/35/375981335.db2.gz RNQACQPTWANKGH-UHFFFAOYSA-N 2 1 287.329 3.166 20 0 CGADMP Cc1nccn1CCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000534955301 376007019 /nfs/dbraw/zinc/00/70/19/376007019.db2.gz JVKFRFKIHTTZNG-CYBMUJFWSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000534955301 376007035 /nfs/dbraw/zinc/00/70/35/376007035.db2.gz JVKFRFKIHTTZNG-CYBMUJFWSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1nccn1CCCC[N@@H+](Cc1ccccn1)C(C)C ZINC000535052818 376016309 /nfs/dbraw/zinc/01/63/09/376016309.db2.gz FVXLGLBPBBSTCC-UHFFFAOYSA-N 2 1 286.423 3.277 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccn1)C(C)C ZINC000535052818 376016315 /nfs/dbraw/zinc/01/63/15/376016315.db2.gz FVXLGLBPBBSTCC-UHFFFAOYSA-N 2 1 286.423 3.277 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccn1)C(C)C ZINC000535052818 376016322 /nfs/dbraw/zinc/01/63/22/376016322.db2.gz FVXLGLBPBBSTCC-UHFFFAOYSA-N 2 1 286.423 3.277 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cscn1 ZINC000535064385 376018713 /nfs/dbraw/zinc/01/87/13/376018713.db2.gz RBHIGIKIIBLDOR-ZIAGYGMSSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@@H](C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C[NH+](C)C ZINC000336829957 375990347 /nfs/dbraw/zinc/99/03/47/375990347.db2.gz FEGAQBFEYNCJKA-JTQLQIEISA-N 2 1 292.320 3.132 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC2CCOCC2)C[C@@H]1C ZINC000337175982 376115346 /nfs/dbraw/zinc/11/53/46/376115346.db2.gz IZMZLWZPSUGDDV-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC2CCOCC2)C[C@@H]1C ZINC000337175982 376115355 /nfs/dbraw/zinc/11/53/55/376115355.db2.gz IZMZLWZPSUGDDV-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC2CCOCC2)C[C@@H]1C ZINC000337175982 376115361 /nfs/dbraw/zinc/11/53/61/376115361.db2.gz IZMZLWZPSUGDDV-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000216012369 376156235 /nfs/dbraw/zinc/15/62/35/376156235.db2.gz QFYJCFHAADKIMS-WOPDTQHZSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000216012369 376156240 /nfs/dbraw/zinc/15/62/40/376156240.db2.gz QFYJCFHAADKIMS-WOPDTQHZSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H]1C[C@@]1(NCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000337270724 376181999 /nfs/dbraw/zinc/18/19/99/376181999.db2.gz ZYCXMWVHAICWSB-HZMBPMFUSA-N 2 1 261.756 3.088 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)CCC[NH+]1CCCC1 ZINC000337270564 376182262 /nfs/dbraw/zinc/18/22/62/376182262.db2.gz MXFWPANXENPWKG-YRNVUSSQSA-N 2 1 258.409 3.118 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)CCC[NH+]1CCCC1 ZINC000337270564 376182267 /nfs/dbraw/zinc/18/22/67/376182267.db2.gz MXFWPANXENPWKG-YRNVUSSQSA-N 2 1 258.409 3.118 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000536696153 376123716 /nfs/dbraw/zinc/12/37/16/376123716.db2.gz VYKRDAGZQQAWFQ-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000536696153 376123722 /nfs/dbraw/zinc/12/37/22/376123722.db2.gz VYKRDAGZQQAWFQ-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000536696153 376123731 /nfs/dbraw/zinc/12/37/31/376123731.db2.gz VYKRDAGZQQAWFQ-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000536696153 376123739 /nfs/dbraw/zinc/12/37/39/376123739.db2.gz VYKRDAGZQQAWFQ-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OC ZINC000221983488 376225130 /nfs/dbraw/zinc/22/51/30/376225130.db2.gz IMIFSGDFQHWTBD-DZKIICNBSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1OC ZINC000221983488 376225134 /nfs/dbraw/zinc/22/51/34/376225134.db2.gz IMIFSGDFQHWTBD-DZKIICNBSA-N 2 1 276.424 3.219 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337525942 376227800 /nfs/dbraw/zinc/22/78/00/376227800.db2.gz RPJLEWLVWNSPLM-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337525942 376227804 /nfs/dbraw/zinc/22/78/04/376227804.db2.gz RPJLEWLVWNSPLM-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[NH+]1CCCC1 ZINC000337992917 376251422 /nfs/dbraw/zinc/25/14/22/376251422.db2.gz FPWIMFSFJJUOJC-OWCLPIDISA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccnc2c1 ZINC000538719880 376258040 /nfs/dbraw/zinc/25/80/40/376258040.db2.gz PGYYTWPQEYHTOF-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000338189925 376277610 /nfs/dbraw/zinc/27/76/10/376277610.db2.gz PLPTWBYHSQMQEK-OZVIIMIRSA-N 2 1 294.389 3.415 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000338295130 376321176 /nfs/dbraw/zinc/32/11/76/376321176.db2.gz DFUGPXYIUVYPJX-AWEZNQCLSA-N 2 1 263.429 3.027 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)[C@@H](C)CC)C12CCCC2 ZINC000224622410 376285168 /nfs/dbraw/zinc/28/51/68/376285168.db2.gz CGRSAKUJBGLXLP-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)[C@@H](C)CC)C12CCCC2 ZINC000224622410 376285172 /nfs/dbraw/zinc/28/51/72/376285172.db2.gz CGRSAKUJBGLXLP-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[C@@H](C)[NH+](C)CC1(C[N@H+](C)[C@@H](C)CCC)COC1 ZINC000541070057 376419447 /nfs/dbraw/zinc/41/94/47/376419447.db2.gz DNHXNAZAHIEGPL-IYBDPMFKSA-N 2 1 284.488 3.244 20 0 CGADMP CCC[C@@H](C)[N@@H+](C)CC1(C[NH+](C)[C@@H](C)CCC)COC1 ZINC000541070057 376419453 /nfs/dbraw/zinc/41/94/53/376419453.db2.gz DNHXNAZAHIEGPL-IYBDPMFKSA-N 2 1 284.488 3.244 20 0 CGADMP CCC[C@@H](C)[N@H+](C)CC1(C[NH+](C)[C@@H](C)CCC)COC1 ZINC000541070057 376419459 /nfs/dbraw/zinc/41/94/59/376419459.db2.gz DNHXNAZAHIEGPL-IYBDPMFKSA-N 2 1 284.488 3.244 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000540181146 376362006 /nfs/dbraw/zinc/36/20/06/376362006.db2.gz MUDWNCBCBOLASK-MLGOLLRUSA-N 2 1 298.833 3.342 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000226540818 376362768 /nfs/dbraw/zinc/36/27/68/376362768.db2.gz NZGSMYPTVCHMNS-OWCLPIDISA-N 2 1 260.425 3.342 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000540175158 376362969 /nfs/dbraw/zinc/36/29/69/376362969.db2.gz HPZWQYUHTBIJMG-VNQPRFMTSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000540175151 376363153 /nfs/dbraw/zinc/36/31/53/376363153.db2.gz HPZWQYUHTBIJMG-BMFZPTHFSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000227188462 376386810 /nfs/dbraw/zinc/38/68/10/376386810.db2.gz NUBBPBXOYBYXHJ-DLBZAZTESA-N 2 1 290.451 3.132 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000263258028 190067268 /nfs/dbraw/zinc/06/72/68/190067268.db2.gz RLYYXBVLWVDFNF-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc4ccccc34)C[C@H]21 ZINC000228476468 376438710 /nfs/dbraw/zinc/43/87/10/376438710.db2.gz RGFGABTYEJBFNH-APHBMKBZSA-N 2 1 286.444 3.461 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCc3ccccc3C2)C1 ZINC000541986397 376499519 /nfs/dbraw/zinc/49/95/19/376499519.db2.gz PBLOILRTKTZOSC-DLBZAZTESA-N 2 1 286.463 3.065 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCCCC1 ZINC000542473933 376544436 /nfs/dbraw/zinc/54/44/36/376544436.db2.gz UTZNCNQEUFMJFC-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCCCC1 ZINC000542473931 376544823 /nfs/dbraw/zinc/54/48/23/376544823.db2.gz UTZNCNQEUFMJFC-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000338957171 376600927 /nfs/dbraw/zinc/60/09/27/376600927.db2.gz FJKCSAKWXYMRMF-ZIAGYGMSSA-N 2 1 281.469 3.091 20 0 CGADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000542694284 376569331 /nfs/dbraw/zinc/56/93/31/376569331.db2.gz SHJGBVJGDYUVTB-WBVHZDCISA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000232654704 376585191 /nfs/dbraw/zinc/58/51/91/376585191.db2.gz IVLVCBOCNSRGGT-UHFFFAOYSA-N 2 1 270.367 3.444 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000232654704 376585201 /nfs/dbraw/zinc/58/52/01/376585201.db2.gz IVLVCBOCNSRGGT-UHFFFAOYSA-N 2 1 270.367 3.444 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000234311398 376615757 /nfs/dbraw/zinc/61/57/57/376615757.db2.gz AFGUMKSMJVHYRM-INIZCTEOSA-N 2 1 260.425 3.186 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070413 376660922 /nfs/dbraw/zinc/66/09/22/376660922.db2.gz NMCLYTFUTQMNPQ-GJZGRUSLSA-N 2 1 294.439 3.264 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070413 376660929 /nfs/dbraw/zinc/66/09/29/376660929.db2.gz NMCLYTFUTQMNPQ-GJZGRUSLSA-N 2 1 294.439 3.264 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000237513978 376748235 /nfs/dbraw/zinc/74/82/35/376748235.db2.gz VMXJYEMDWLPNJX-IXDOHACOSA-N 2 1 264.457 3.300 20 0 CGADMP Clc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000147672365 542097745 /nfs/dbraw/zinc/09/77/45/542097745.db2.gz CWQXYQXNXXATCP-UHFFFAOYSA-N 2 1 264.800 3.056 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@@H]1[NH3+] ZINC000150303226 542098889 /nfs/dbraw/zinc/09/88/89/542098889.db2.gz NFYUXBHJXCMZCA-JSGCOSHPSA-N 2 1 268.351 3.183 20 0 CGADMP C(=C/C[N@H+]1C[C@@H]2CCC[C@@H]2C1)\C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152969404 542109977 /nfs/dbraw/zinc/10/99/77/542109977.db2.gz LMKSEZKJCGRMOS-GIFZIZMJSA-N 2 1 274.452 3.006 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(CC)CC)[C@@H](C)C1 ZINC000154188492 542116419 /nfs/dbraw/zinc/11/64/19/542116419.db2.gz SIDMTMCEJKKGLS-DOTOQJQBSA-N 2 1 284.488 3.149 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC000245444126 376819543 /nfs/dbraw/zinc/81/95/43/376819543.db2.gz JJLCGSDAZLQBKN-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC000245444126 376819549 /nfs/dbraw/zinc/81/95/49/376819549.db2.gz JJLCGSDAZLQBKN-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000245444126 376819551 /nfs/dbraw/zinc/81/95/51/376819551.db2.gz JJLCGSDAZLQBKN-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000245444126 376819557 /nfs/dbraw/zinc/81/95/57/376819557.db2.gz JJLCGSDAZLQBKN-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP CO[C@@]1(C)C[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000245572667 376859939 /nfs/dbraw/zinc/85/99/39/376859939.db2.gz GZCKTHKURNFTTM-RDJZCZTQSA-N 2 1 293.455 3.107 20 0 CGADMP CO[C@@]1(C)C[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000245572667 376859946 /nfs/dbraw/zinc/85/99/46/376859946.db2.gz GZCKTHKURNFTTM-RDJZCZTQSA-N 2 1 293.455 3.107 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245722206 376889923 /nfs/dbraw/zinc/88/99/23/376889923.db2.gz UXAFATJBYVKXPS-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245722206 376889931 /nfs/dbraw/zinc/88/99/31/376889931.db2.gz UXAFATJBYVKXPS-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245722206 376889940 /nfs/dbraw/zinc/88/99/40/376889940.db2.gz UXAFATJBYVKXPS-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245840045 376915276 /nfs/dbraw/zinc/91/52/76/376915276.db2.gz FTCUAXCDVLRZDB-ZWKOTPCHSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1ccc(F)cc1Cl ZINC000557548730 376944435 /nfs/dbraw/zinc/94/44/35/376944435.db2.gz UWUXHQWYVBTKGK-UHFFFAOYSA-N 2 1 298.833 3.439 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1ccc(F)cc1Cl ZINC000557548730 376944443 /nfs/dbraw/zinc/94/44/43/376944443.db2.gz UWUXHQWYVBTKGK-UHFFFAOYSA-N 2 1 298.833 3.439 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000245958242 376945521 /nfs/dbraw/zinc/94/55/21/376945521.db2.gz RHWIOOWMIPITOB-GDZNZVCISA-N 2 1 285.391 3.009 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086365 376965384 /nfs/dbraw/zinc/96/53/84/376965384.db2.gz IGTQYYLVRYTKTJ-RHSMWYFYSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086365 376965389 /nfs/dbraw/zinc/96/53/89/376965389.db2.gz IGTQYYLVRYTKTJ-RHSMWYFYSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086365 376965395 /nfs/dbraw/zinc/96/53/95/376965395.db2.gz IGTQYYLVRYTKTJ-RHSMWYFYSA-N 2 1 284.403 3.349 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246181153 376981863 /nfs/dbraw/zinc/98/18/63/376981863.db2.gz ROAZWRVFYGEGDD-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246181153 376981879 /nfs/dbraw/zinc/98/18/79/376981879.db2.gz ROAZWRVFYGEGDD-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246181153 376981895 /nfs/dbraw/zinc/98/18/95/376981895.db2.gz ROAZWRVFYGEGDD-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000558241480 376988578 /nfs/dbraw/zinc/98/85/78/376988578.db2.gz QNJZWQWSZTYQSM-FZKCQIBNSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246206727 376989322 /nfs/dbraw/zinc/98/93/22/376989322.db2.gz XAGSUFTYHBXNAD-STQMWFEESA-N 2 1 282.378 3.299 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246206727 376989332 /nfs/dbraw/zinc/98/93/32/376989332.db2.gz XAGSUFTYHBXNAD-STQMWFEESA-N 2 1 282.378 3.299 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246206727 376989338 /nfs/dbraw/zinc/98/93/38/376989338.db2.gz XAGSUFTYHBXNAD-STQMWFEESA-N 2 1 282.378 3.299 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246206727 376989346 /nfs/dbraw/zinc/98/93/46/376989346.db2.gz XAGSUFTYHBXNAD-STQMWFEESA-N 2 1 282.378 3.299 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000558255472 376990840 /nfs/dbraw/zinc/99/08/40/376990840.db2.gz HEBQGBHCWXNVFF-OEAJRASXSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000558255472 376990845 /nfs/dbraw/zinc/99/08/45/376990845.db2.gz HEBQGBHCWXNVFF-OEAJRASXSA-N 2 1 294.389 3.283 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000246270784 377003005 /nfs/dbraw/zinc/00/30/05/377003005.db2.gz QNGICDKYBXKUGN-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000558419320 377006705 /nfs/dbraw/zinc/00/67/05/377006705.db2.gz NNMQTYGELLNQBA-CYBMUJFWSA-N 2 1 290.382 3.392 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000558419320 377006715 /nfs/dbraw/zinc/00/67/15/377006715.db2.gz NNMQTYGELLNQBA-CYBMUJFWSA-N 2 1 290.382 3.392 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCc2nc(C)cs2)[C@@H](C)C1 ZINC000246881144 377110890 /nfs/dbraw/zinc/11/08/90/377110890.db2.gz DAKBPLZLBWTDPV-DZGCQCFKSA-N 2 1 295.496 3.094 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000560058375 377117234 /nfs/dbraw/zinc/11/72/34/377117234.db2.gz SRTYSDJBCRPJSI-YOEHRIQHSA-N 2 1 281.403 3.060 20 0 CGADMP COCCC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246936940 377122498 /nfs/dbraw/zinc/12/24/98/377122498.db2.gz HLHADVGWBQOGJH-OWCLPIDISA-N 2 1 284.488 3.148 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246821850 377096301 /nfs/dbraw/zinc/09/63/01/377096301.db2.gz RJJPMMLKEPSRDP-RDJZCZTQSA-N 2 1 264.457 3.371 20 0 CGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246821850 377096311 /nfs/dbraw/zinc/09/63/11/377096311.db2.gz RJJPMMLKEPSRDP-RDJZCZTQSA-N 2 1 264.457 3.371 20 0 CGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246821850 377096319 /nfs/dbraw/zinc/09/63/19/377096319.db2.gz RJJPMMLKEPSRDP-RDJZCZTQSA-N 2 1 264.457 3.371 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000247295964 377190788 /nfs/dbraw/zinc/19/07/88/377190788.db2.gz OGKITHZDHHMGRS-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000247295964 377190795 /nfs/dbraw/zinc/19/07/95/377190795.db2.gz OGKITHZDHHMGRS-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)c1 ZINC000247295964 377190804 /nfs/dbraw/zinc/19/08/04/377190804.db2.gz OGKITHZDHHMGRS-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000246984282 377131799 /nfs/dbraw/zinc/13/17/99/377131799.db2.gz JWCRSVSDEXIGNM-RDJZCZTQSA-N 2 1 290.451 3.294 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000246984282 377131807 /nfs/dbraw/zinc/13/18/07/377131807.db2.gz JWCRSVSDEXIGNM-RDJZCZTQSA-N 2 1 290.451 3.294 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000560251640 377135753 /nfs/dbraw/zinc/13/57/53/377135753.db2.gz QXWUDRVLQWLAIF-OAHLLOKOSA-N 2 1 278.440 3.468 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247131909 377163839 /nfs/dbraw/zinc/16/38/39/377163839.db2.gz VNAUBWHAPZQMRS-JFIYKMOQSA-N 2 1 290.451 3.082 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000247208887 377175995 /nfs/dbraw/zinc/17/59/95/377175995.db2.gz VPSOFGHLJSQZCO-JZXOWHBKSA-N 2 1 290.451 3.082 20 0 CGADMP C[C@@H]1C[C@H](N[C@H]2CCSc3c(F)cccc32)CC[N@H+]1C ZINC000247213483 377177439 /nfs/dbraw/zinc/17/74/39/377177439.db2.gz XCMBBPJGCWWUGF-JMSVASOKSA-N 2 1 294.439 3.435 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)CCN1C ZINC000247213483 377177447 /nfs/dbraw/zinc/17/74/47/377177447.db2.gz XCMBBPJGCWWUGF-JMSVASOKSA-N 2 1 294.439 3.435 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247221621 377180449 /nfs/dbraw/zinc/18/04/49/377180449.db2.gz RHFYDLGIUNCFNJ-HZPDHXFCSA-N 2 1 290.451 3.420 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247221621 377180462 /nfs/dbraw/zinc/18/04/62/377180462.db2.gz RHFYDLGIUNCFNJ-HZPDHXFCSA-N 2 1 290.451 3.420 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000340700505 377225722 /nfs/dbraw/zinc/22/57/22/377225722.db2.gz FCMZVPAJCDZHMB-ROUUACIJSA-N 2 1 288.435 3.222 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000561704160 377240872 /nfs/dbraw/zinc/24/08/72/377240872.db2.gz VTJPPHITOPVZMG-GOEBONIOSA-N 2 1 280.481 3.343 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CCCOC)C1 ZINC000247938629 377247313 /nfs/dbraw/zinc/24/73/13/377247313.db2.gz CUFNICZJADPWSC-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CCCOC)C1 ZINC000247938629 377247323 /nfs/dbraw/zinc/24/73/23/377247323.db2.gz CUFNICZJADPWSC-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562019147 377266481 /nfs/dbraw/zinc/26/64/81/377266481.db2.gz HCUISOJMBUMISQ-JKJDWNRSSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562019147 377266490 /nfs/dbraw/zinc/26/64/90/377266490.db2.gz HCUISOJMBUMISQ-JKJDWNRSSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248503274 377332770 /nfs/dbraw/zinc/33/27/70/377332770.db2.gz UUWHAHIDNSUHEO-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248503274 377332775 /nfs/dbraw/zinc/33/27/75/377332775.db2.gz UUWHAHIDNSUHEO-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248503274 377332776 /nfs/dbraw/zinc/33/27/76/377332776.db2.gz UUWHAHIDNSUHEO-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC2CC2)[C@@H](C)C1 ZINC000248924902 377429109 /nfs/dbraw/zinc/42/91/09/377429109.db2.gz FRZPBEURMYAUHY-BQFCYCMXSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249434007 377503604 /nfs/dbraw/zinc/50/36/04/377503604.db2.gz KJJKHZJBQPXQSX-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249434007 377503611 /nfs/dbraw/zinc/50/36/11/377503611.db2.gz KJJKHZJBQPXQSX-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249434007 377503618 /nfs/dbraw/zinc/50/36/18/377503618.db2.gz KJJKHZJBQPXQSX-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093463500 249037648 /nfs/dbraw/zinc/03/76/48/249037648.db2.gz ZNXGCJXTKVHZPM-KKUMJFAQSA-N 2 1 276.424 3.185 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166831078 542175442 /nfs/dbraw/zinc/17/54/42/542175442.db2.gz OXNNZSOTKNBNAM-DLBZAZTESA-N 2 1 288.435 3.110 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166831078 542175445 /nfs/dbraw/zinc/17/54/45/542175445.db2.gz OXNNZSOTKNBNAM-DLBZAZTESA-N 2 1 288.435 3.110 20 0 CGADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312747842 249082626 /nfs/dbraw/zinc/08/26/26/249082626.db2.gz QKKKQALWFVHUPH-APPZFPTMSA-N 2 1 279.236 3.272 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)C1CCSCC1 ZINC000250110418 377551876 /nfs/dbraw/zinc/55/18/76/377551876.db2.gz SSMJXHHSLDWILK-QKPAOTATSA-N 2 1 298.540 3.474 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)C1CCSCC1 ZINC000250110418 377551883 /nfs/dbraw/zinc/55/18/83/377551883.db2.gz SSMJXHHSLDWILK-QKPAOTATSA-N 2 1 298.540 3.474 20 0 CGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422908619 249127323 /nfs/dbraw/zinc/12/73/23/249127323.db2.gz DKMUQPUGCQQSGL-MRXNPFEDSA-N 3 1 291.483 3.134 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000414908401 249124303 /nfs/dbraw/zinc/12/43/03/249124303.db2.gz BHTXWTIBSXPUJY-KGLIPLIRSA-N 2 1 287.432 3.170 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)nc1C ZINC000314056239 249094172 /nfs/dbraw/zinc/09/41/72/249094172.db2.gz QPTHNYUFXPQPNZ-GOEBONIOSA-N 2 1 275.440 3.099 20 0 CGADMP c1ccc2c(c1)SC[C@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459564634 249156882 /nfs/dbraw/zinc/15/68/82/249156882.db2.gz IQZATFLWYKDQLT-CYBMUJFWSA-N 2 1 288.460 3.092 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000469997123 249166276 /nfs/dbraw/zinc/16/62/76/249166276.db2.gz VWASINHPWABCLN-WMZOPIPTSA-N 2 1 274.452 3.187 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250997191 377571219 /nfs/dbraw/zinc/57/12/19/377571219.db2.gz HVVQQOCDGZYIGP-CVEARBPZSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)o1 ZINC000251072277 377572461 /nfs/dbraw/zinc/57/24/61/377572461.db2.gz JKYZBZNMRDOWFK-CFVMTHIKSA-N 2 1 262.397 3.174 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)o1 ZINC000251072277 377572466 /nfs/dbraw/zinc/57/24/66/377572466.db2.gz JKYZBZNMRDOWFK-CFVMTHIKSA-N 2 1 262.397 3.174 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000516781250 249244578 /nfs/dbraw/zinc/24/45/78/249244578.db2.gz DXHWDZFNASJBSV-RDTXWAMCSA-N 2 1 268.404 3.194 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000251353258 377580772 /nfs/dbraw/zinc/58/07/72/377580772.db2.gz SWQWNHMPVHLTEH-ABAIWWIYSA-N 2 1 270.367 3.331 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000251212488 377576035 /nfs/dbraw/zinc/57/60/35/377576035.db2.gz CZAPBSGIJZWERC-QEJZJMRPSA-N 2 1 278.465 3.204 20 0 CGADMP CCCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000519101245 249292355 /nfs/dbraw/zinc/29/23/55/249292355.db2.gz LPIGVDOPQITYLT-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000180131186 542206593 /nfs/dbraw/zinc/20/65/93/542206593.db2.gz ADDPCEMPKFULOD-UONOGXRCSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000180131186 542206597 /nfs/dbraw/zinc/20/65/97/542206597.db2.gz ADDPCEMPKFULOD-UONOGXRCSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000180131186 542206601 /nfs/dbraw/zinc/20/66/01/542206601.db2.gz ADDPCEMPKFULOD-UONOGXRCSA-N 2 1 278.444 3.023 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000251931408 377605385 /nfs/dbraw/zinc/60/53/85/377605385.db2.gz VIDOGPMONQRURJ-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC000251969165 377607423 /nfs/dbraw/zinc/60/74/23/377607423.db2.gz YAKUEYXJPMYXNW-NQMMUZQISA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000251969165 377607426 /nfs/dbraw/zinc/60/74/26/377607426.db2.gz YAKUEYXJPMYXNW-NQMMUZQISA-N 2 1 264.457 3.416 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252108639 377614931 /nfs/dbraw/zinc/61/49/31/377614931.db2.gz JGFLXROMRLPWQV-XUWXXGDYSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252108639 377614936 /nfs/dbraw/zinc/61/49/36/377614936.db2.gz JGFLXROMRLPWQV-XUWXXGDYSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccnc2ccccc12 ZINC000574202283 377632910 /nfs/dbraw/zinc/63/29/10/377632910.db2.gz ZNRSHYSRUSRXMD-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccnc2ccccc12 ZINC000574202283 377632916 /nfs/dbraw/zinc/63/29/16/377632916.db2.gz ZNRSHYSRUSRXMD-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccnc2ccccc12 ZINC000574202283 377632920 /nfs/dbraw/zinc/63/29/20/377632920.db2.gz ZNRSHYSRUSRXMD-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccnc2ccccc12 ZINC000574202283 377632926 /nfs/dbraw/zinc/63/29/26/377632926.db2.gz ZNRSHYSRUSRXMD-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252673718 377649518 /nfs/dbraw/zinc/64/95/18/377649518.db2.gz LLYJREQYBFWMSV-GJZGRUSLSA-N 2 1 276.449 3.125 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252711469 377653845 /nfs/dbraw/zinc/65/38/45/377653845.db2.gz JPVALISJLUJRDR-XBFCOCLRSA-N 2 1 264.438 3.055 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252711469 377653856 /nfs/dbraw/zinc/65/38/56/377653856.db2.gz JPVALISJLUJRDR-XBFCOCLRSA-N 2 1 264.438 3.055 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000252716476 377655468 /nfs/dbraw/zinc/65/54/68/377655468.db2.gz YNNZRHIKLBSZKB-PRLABOORSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252716476 377655481 /nfs/dbraw/zinc/65/54/81/377655481.db2.gz YNNZRHIKLBSZKB-PRLABOORSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000253178824 377681016 /nfs/dbraw/zinc/68/10/16/377681016.db2.gz CEYIQWQBSDKRSI-BXUZGUMPSA-N 2 1 268.351 3.041 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@H]3CCC3(C)C)CC2)[nH+]c1 ZINC000342695330 377739290 /nfs/dbraw/zinc/73/92/90/377739290.db2.gz GROOKBKOSGXDGH-HNNXBMFYSA-N 2 1 273.424 3.137 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000342858208 377839473 /nfs/dbraw/zinc/83/94/73/377839473.db2.gz BNUWJELKPLRXFU-UHFFFAOYSA-N 2 1 291.826 3.410 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc2ccccc21 ZINC000258924192 377802890 /nfs/dbraw/zinc/80/28/90/377802890.db2.gz GNSFXVFHJQTGES-OAHLLOKOSA-N 2 1 268.404 3.271 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261546347 377815344 /nfs/dbraw/zinc/81/53/44/377815344.db2.gz KWOCDNTZPKRSRK-HUUCEWRRSA-N 2 1 284.403 3.091 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000261623340 377829167 /nfs/dbraw/zinc/82/91/67/377829167.db2.gz AIKJPSGQUCPLIU-INIZCTEOSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000261623340 377829175 /nfs/dbraw/zinc/82/91/75/377829175.db2.gz AIKJPSGQUCPLIU-INIZCTEOSA-N 2 1 289.810 3.059 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000342858208 377839466 /nfs/dbraw/zinc/83/94/66/377839466.db2.gz BNUWJELKPLRXFU-UHFFFAOYSA-N 2 1 291.826 3.410 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261940799 377872004 /nfs/dbraw/zinc/87/20/04/377872004.db2.gz MRQCSVPOWCQQEV-DUVNUKRYSA-N 2 1 278.827 3.072 20 0 CGADMP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000261956214 377873950 /nfs/dbraw/zinc/87/39/50/377873950.db2.gz OREVXZBVDIAKOT-RDTXWAMCSA-N 2 1 288.435 3.078 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000262029312 377879892 /nfs/dbraw/zinc/87/98/92/377879892.db2.gz WYJRESPAGWQYTH-ZDUSSCGKSA-N 2 1 280.843 3.334 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000262029312 377879897 /nfs/dbraw/zinc/87/98/97/377879897.db2.gz WYJRESPAGWQYTH-ZDUSSCGKSA-N 2 1 280.843 3.334 20 0 CGADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262029531 377880106 /nfs/dbraw/zinc/88/01/06/377880106.db2.gz NZEYASAOPSKMOP-AEFFLSMTSA-N 2 1 272.436 3.092 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000262097162 377885978 /nfs/dbraw/zinc/88/59/78/377885978.db2.gz VICGYWKGQYJYJQ-ZWKOTPCHSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1CC(C)C ZINC000342861649 377844542 /nfs/dbraw/zinc/84/45/42/377844542.db2.gz YTHFIAQKYNPAJV-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000342861649 377844548 /nfs/dbraw/zinc/84/45/48/377844548.db2.gz YTHFIAQKYNPAJV-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000261736898 377847082 /nfs/dbraw/zinc/84/70/82/377847082.db2.gz LSJJSPSMEHYNCN-ZDUSSCGKSA-N 2 1 290.329 3.048 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261738925 377847765 /nfs/dbraw/zinc/84/77/65/377847765.db2.gz MNAHYKUEEGZIOU-GOSISDBHSA-N 2 1 272.436 3.002 20 0 CGADMP CCc1ccc(C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C2CC2)cc1 ZINC000261729320 377848112 /nfs/dbraw/zinc/84/81/12/377848112.db2.gz GZZHOHQRPGEHLE-SFHVURJKSA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)c1cccc2c1CC[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000261744099 377849569 /nfs/dbraw/zinc/84/95/69/377849569.db2.gz ISNYVJWOADDJGQ-GOSISDBHSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)c1cccc2c1CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000261744099 377849575 /nfs/dbraw/zinc/84/95/75/377849575.db2.gz ISNYVJWOADDJGQ-GOSISDBHSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261805636 377855591 /nfs/dbraw/zinc/85/55/91/377855591.db2.gz OKTFYWMKSINHIP-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183194913 542228900 /nfs/dbraw/zinc/22/89/00/542228900.db2.gz CLMQQKNJMQBDAD-KCQAQPDRSA-N 2 1 290.455 3.022 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183194913 542228905 /nfs/dbraw/zinc/22/89/05/542228905.db2.gz CLMQQKNJMQBDAD-KCQAQPDRSA-N 2 1 290.455 3.022 20 0 CGADMP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)[C@@H](C)C1 ZINC000343250493 377939777 /nfs/dbraw/zinc/93/97/77/377939777.db2.gz NFNSZIWYDTZZGO-ZDUSSCGKSA-N 2 1 287.382 3.213 20 0 CGADMP C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575427697 377907870 /nfs/dbraw/zinc/90/78/70/377907870.db2.gz YRDLYRNJPVSOOC-LSDHHAIUSA-N 2 1 277.456 3.499 20 0 CGADMP C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000575427697 377907872 /nfs/dbraw/zinc/90/78/72/377907872.db2.gz YRDLYRNJPVSOOC-LSDHHAIUSA-N 2 1 277.456 3.499 20 0 CGADMP c1ccc2cc(CC[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000575749411 377987639 /nfs/dbraw/zinc/98/76/39/377987639.db2.gz ROSDOHKYNACFII-HXUWFJFHSA-N 2 1 294.442 3.458 20 0 CGADMP Cc1cnccc1CC[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000578622262 378086375 /nfs/dbraw/zinc/08/63/75/378086375.db2.gz HANXWKIPQFPJFG-IBGZPJMESA-N 2 1 296.414 3.178 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000578347371 378059519 /nfs/dbraw/zinc/05/95/19/378059519.db2.gz DSOBXLSONUYTQR-SNVBAGLBSA-N 2 1 260.834 3.440 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268830730 378125799 /nfs/dbraw/zinc/12/57/99/378125799.db2.gz FEOKTEFKSGBZHF-LBPRGKRZSA-N 2 1 263.410 3.302 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000268906840 378148678 /nfs/dbraw/zinc/14/86/78/378148678.db2.gz XVFTWSDGAXCNRR-KRWDZBQOSA-N 2 1 269.392 3.167 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000582094373 378285416 /nfs/dbraw/zinc/28/54/16/378285416.db2.gz KBJHIIRWOYLXOU-DZJNRPSUSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000582094373 378285423 /nfs/dbraw/zinc/28/54/23/378285423.db2.gz KBJHIIRWOYLXOU-DZJNRPSUSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000582094373 378285425 /nfs/dbraw/zinc/28/54/25/378285425.db2.gz KBJHIIRWOYLXOU-DZJNRPSUSA-N 2 1 276.468 3.395 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000269969608 378288290 /nfs/dbraw/zinc/28/82/90/378288290.db2.gz NWRUVSGMVGXXAB-QGZVFWFLSA-N 2 1 269.392 3.167 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000580180573 378229389 /nfs/dbraw/zinc/22/93/89/378229389.db2.gz ZFTCGBSSHQOHDI-IPYPFGDCSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000580364650 378244227 /nfs/dbraw/zinc/24/42/27/378244227.db2.gz XKYXDDJCDDMUGV-KLHDSHLOSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000580364650 378244234 /nfs/dbraw/zinc/24/42/34/378244234.db2.gz XKYXDDJCDDMUGV-KLHDSHLOSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000580364650 378244239 /nfs/dbraw/zinc/24/42/39/378244239.db2.gz XKYXDDJCDDMUGV-KLHDSHLOSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCCC[C@H]1C ZINC000580364650 378244248 /nfs/dbraw/zinc/24/42/48/378244248.db2.gz XKYXDDJCDDMUGV-KLHDSHLOSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCCC[C@H]1C ZINC000580364650 378244256 /nfs/dbraw/zinc/24/42/56/378244256.db2.gz XKYXDDJCDDMUGV-KLHDSHLOSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000580364652 378245329 /nfs/dbraw/zinc/24/53/29/378245329.db2.gz XKYXDDJCDDMUGV-QXSJWSMHSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000580364652 378245335 /nfs/dbraw/zinc/24/53/35/378245335.db2.gz XKYXDDJCDDMUGV-QXSJWSMHSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000580364652 378245338 /nfs/dbraw/zinc/24/53/38/378245338.db2.gz XKYXDDJCDDMUGV-QXSJWSMHSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000580364652 378245344 /nfs/dbraw/zinc/24/53/44/378245344.db2.gz XKYXDDJCDDMUGV-QXSJWSMHSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000580364652 378245347 /nfs/dbraw/zinc/24/53/47/378245347.db2.gz XKYXDDJCDDMUGV-QXSJWSMHSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000582413209 378311348 /nfs/dbraw/zinc/31/13/48/378311348.db2.gz CYPHIWYTJHMIMS-MRXNPFEDSA-N 2 1 258.409 3.443 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCC[C@@H]1C ZINC000583330452 378322261 /nfs/dbraw/zinc/32/22/61/378322261.db2.gz ZUDPATSDUHNRDD-GOEBONIOSA-N 2 1 263.429 3.253 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCC[C@@H]1C ZINC000583330452 378322269 /nfs/dbraw/zinc/32/22/69/378322269.db2.gz ZUDPATSDUHNRDD-GOEBONIOSA-N 2 1 263.429 3.253 20 0 CGADMP COc1cccc(C2CC[NH+](CCn3cc[nH+]c3C)CC2)c1 ZINC000270782692 378398847 /nfs/dbraw/zinc/39/88/47/378398847.db2.gz AMMSDEBQSPCASR-UHFFFAOYSA-N 2 1 299.418 3.080 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000270658592 378382553 /nfs/dbraw/zinc/38/25/53/378382553.db2.gz ODPDCUPXRZKVPA-ZFWWWQNUSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000270658592 378382556 /nfs/dbraw/zinc/38/25/56/378382556.db2.gz ODPDCUPXRZKVPA-ZFWWWQNUSA-N 2 1 273.380 3.258 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ncccc3c2)C1 ZINC000271179090 378473418 /nfs/dbraw/zinc/47/34/18/378473418.db2.gz JCCCGOBHBSHVGC-KRWDZBQOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000271181943 378475388 /nfs/dbraw/zinc/47/53/88/378475388.db2.gz JYPXWINZXPKQQX-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271181943 378475400 /nfs/dbraw/zinc/47/54/00/378475400.db2.gz JYPXWINZXPKQQX-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271181943 378475408 /nfs/dbraw/zinc/47/54/08/378475408.db2.gz JYPXWINZXPKQQX-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213296 378484071 /nfs/dbraw/zinc/48/40/71/378484071.db2.gz VRRUUUIJCFIFJS-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213296 378484073 /nfs/dbraw/zinc/48/40/73/378484073.db2.gz VRRUUUIJCFIFJS-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213296 378484081 /nfs/dbraw/zinc/48/40/81/378484081.db2.gz VRRUUUIJCFIFJS-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)C(C)C ZINC000346169394 378488162 /nfs/dbraw/zinc/48/81/62/378488162.db2.gz JHADRGIYZJADDK-OAHLLOKOSA-N 2 1 286.423 3.442 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346202452 378502664 /nfs/dbraw/zinc/50/26/64/378502664.db2.gz JDVNZUGASZJKJC-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346202452 378502672 /nfs/dbraw/zinc/50/26/72/378502672.db2.gz JDVNZUGASZJKJC-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346202452 378502675 /nfs/dbraw/zinc/50/26/75/378502675.db2.gz JDVNZUGASZJKJC-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CCCCO[C@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346325796 378545166 /nfs/dbraw/zinc/54/51/66/378545166.db2.gz MBQDAUQIHFABIQ-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP CCCCO[C@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346325796 378545170 /nfs/dbraw/zinc/54/51/70/378545170.db2.gz MBQDAUQIHFABIQ-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP CCCCO[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346325795 378545860 /nfs/dbraw/zinc/54/58/60/378545860.db2.gz MBQDAUQIHFABIQ-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP CCCCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346325795 378545864 /nfs/dbraw/zinc/54/58/64/378545864.db2.gz MBQDAUQIHFABIQ-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000346334293 378548135 /nfs/dbraw/zinc/54/81/35/378548135.db2.gz QNNAWEKPIAIDPF-MRXNPFEDSA-N 2 1 296.418 3.364 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000346480742 378591088 /nfs/dbraw/zinc/59/10/88/378591088.db2.gz FZEIVYJKTMYVQD-WKULXVSPSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)CCC1CC1)[NH+]1CCCC1 ZINC000346528098 378604792 /nfs/dbraw/zinc/60/47/92/378604792.db2.gz JEYSYTHLUWAYQZ-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000346658626 378666403 /nfs/dbraw/zinc/66/64/03/378666403.db2.gz RRZPMFMIGJSZST-UHFFFAOYSA-N 2 1 293.461 3.042 20 0 CGADMP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272599319 378674244 /nfs/dbraw/zinc/67/42/44/378674244.db2.gz UZOCWQJRNVTFHK-LBPRGKRZSA-N 2 1 296.374 3.492 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000346693282 378677135 /nfs/dbraw/zinc/67/71/35/378677135.db2.gz LYASBJURJRCAIA-MNOVXSKESA-N 2 1 278.783 3.255 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000346693282 378677138 /nfs/dbraw/zinc/67/71/38/378677138.db2.gz LYASBJURJRCAIA-MNOVXSKESA-N 2 1 278.783 3.255 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638076779 378688269 /nfs/dbraw/zinc/68/82/69/378688269.db2.gz MGQKBEPONANTEC-CGTJXYLNSA-N 2 1 272.436 3.064 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346843249 378694359 /nfs/dbraw/zinc/69/43/59/378694359.db2.gz XSDLOVUFWBKDSB-AEFFLSMTSA-N 2 1 272.436 3.256 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3ncccc23)[C@H](C)C1 ZINC000638114688 378705746 /nfs/dbraw/zinc/70/57/46/378705746.db2.gz LADOLHSNPGIEBJ-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3ncccc23)[C@H](C)C1 ZINC000638114688 378705748 /nfs/dbraw/zinc/70/57/48/378705748.db2.gz LADOLHSNPGIEBJ-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3ncccc23)[C@H](C)C1 ZINC000638114688 378705749 /nfs/dbraw/zinc/70/57/49/378705749.db2.gz LADOLHSNPGIEBJ-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC000638123112 378708827 /nfs/dbraw/zinc/70/88/27/378708827.db2.gz OEAKUABPTGUOOE-MRXNPFEDSA-N 2 1 299.462 3.342 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC000638123112 378708831 /nfs/dbraw/zinc/70/88/31/378708831.db2.gz OEAKUABPTGUOOE-MRXNPFEDSA-N 2 1 299.462 3.342 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638324665 378770962 /nfs/dbraw/zinc/77/09/62/378770962.db2.gz SCGBAUFFQOXQLM-WBVHZDCISA-N 2 1 258.409 3.353 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638324665 378770968 /nfs/dbraw/zinc/77/09/68/378770968.db2.gz SCGBAUFFQOXQLM-WBVHZDCISA-N 2 1 258.409 3.353 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000278483883 194005885 /nfs/dbraw/zinc/00/58/85/194005885.db2.gz KOVHOUMZOWOVTJ-SJLPKXTDSA-N 2 1 290.451 3.228 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638563241 378834962 /nfs/dbraw/zinc/83/49/62/378834962.db2.gz KXNSUNDTTYJIJG-SWLSCSKDSA-N 2 1 282.378 3.272 20 0 CGADMP CCC1CCC([N@@H+](C)CC[C@H]2CCC[NH+]2C)CC1 ZINC000348198579 378835156 /nfs/dbraw/zinc/83/51/56/378835156.db2.gz AWBXHJVSFBEEKS-HWOWSKLDSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ccoc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000266223255 190241711 /nfs/dbraw/zinc/24/17/11/190241711.db2.gz RQXAWULKMFXIOE-AWEZNQCLSA-N 2 1 264.413 3.190 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1C ZINC000346847425 218034737 /nfs/dbraw/zinc/03/47/37/218034737.db2.gz MLSDWCBPKVOTTF-SJLPKXTDSA-N 2 1 272.436 3.440 20 0 CGADMP C(C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C[C@H]1CCO1 ZINC000638521625 378824237 /nfs/dbraw/zinc/82/42/37/378824237.db2.gz CLIGJHAZWMDDCK-ROUUACIJSA-N 2 1 294.483 3.190 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@@H]21 ZINC000346838315 218031434 /nfs/dbraw/zinc/03/14/34/218031434.db2.gz WXUXOUYLEZDLQT-CWRNSKLLSA-N 2 1 286.444 3.461 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638596036 378844996 /nfs/dbraw/zinc/84/49/96/378844996.db2.gz DCNMOXLXSTWPBZ-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348252834 378866355 /nfs/dbraw/zinc/86/63/55/378866355.db2.gz CARMWNSCZMVYGZ-USXIJHARSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348252834 378866360 /nfs/dbraw/zinc/86/63/60/378866360.db2.gz CARMWNSCZMVYGZ-USXIJHARSA-N 2 1 260.425 3.110 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)ns2)c1 ZINC000638564481 378837071 /nfs/dbraw/zinc/83/70/71/378837071.db2.gz ZKQSKEIAHTUDOA-UHFFFAOYSA-N 2 1 289.448 3.193 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000348316518 378903655 /nfs/dbraw/zinc/90/36/55/378903655.db2.gz IUOZKJIVMCIBEQ-DDBAPUKQSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000348316518 378903657 /nfs/dbraw/zinc/90/36/57/378903657.db2.gz IUOZKJIVMCIBEQ-DDBAPUKQSA-N 2 1 290.426 3.377 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000347000872 218087138 /nfs/dbraw/zinc/08/71/38/218087138.db2.gz ZQPDVCOULCLAOH-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+]CC1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638970667 378961036 /nfs/dbraw/zinc/96/10/36/378961036.db2.gz MSKFMHXSWXKJKP-GOEBONIOSA-N 2 1 296.524 3.372 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000347094134 218118736 /nfs/dbraw/zinc/11/87/36/218118736.db2.gz HDAJTLQGOBENGB-AWEZNQCLSA-N 2 1 293.480 3.231 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000347139956 218135079 /nfs/dbraw/zinc/13/50/79/218135079.db2.gz VQVRSTVVGDFZHV-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000347139956 218135082 /nfs/dbraw/zinc/13/50/82/218135082.db2.gz VQVRSTVVGDFZHV-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152898 218138755 /nfs/dbraw/zinc/13/87/55/218138755.db2.gz BMXGKZFUNPDFON-KXBFYZLASA-N 2 1 295.430 3.450 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152898 218138757 /nfs/dbraw/zinc/13/87/57/218138757.db2.gz BMXGKZFUNPDFON-KXBFYZLASA-N 2 1 295.430 3.450 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276974373 379034847 /nfs/dbraw/zinc/03/48/47/379034847.db2.gz QOKYMPRZGZVCKI-UHFFFAOYSA-N 2 1 299.418 3.160 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC(C)(C)COC ZINC000348971292 379127849 /nfs/dbraw/zinc/12/78/49/379127849.db2.gz YCLHYOLTVMAASX-UHFFFAOYSA-N 2 1 292.467 3.243 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000371329873 379139221 /nfs/dbraw/zinc/13/92/21/379139221.db2.gz OVVDZQWTIPWJHT-QGZVFWFLSA-N 2 1 286.423 3.147 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000371329873 379139224 /nfs/dbraw/zinc/13/92/24/379139224.db2.gz OVVDZQWTIPWJHT-QGZVFWFLSA-N 2 1 286.423 3.147 20 0 CGADMP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277415196 379152907 /nfs/dbraw/zinc/15/29/07/379152907.db2.gz IQTSYIPKVFAQCQ-NADMHLTPSA-N 2 1 288.435 3.125 20 0 CGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277415196 379152919 /nfs/dbraw/zinc/15/29/19/379152919.db2.gz IQTSYIPKVFAQCQ-NADMHLTPSA-N 2 1 288.435 3.125 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc2cccnc21 ZINC000349384982 379264615 /nfs/dbraw/zinc/26/46/15/379264615.db2.gz QPATYCNLAFXGFU-UHFFFAOYSA-N 2 1 289.398 3.148 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc2cccnc21 ZINC000349384982 379264621 /nfs/dbraw/zinc/26/46/21/379264621.db2.gz QPATYCNLAFXGFU-UHFFFAOYSA-N 2 1 289.398 3.148 20 0 CGADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000349644856 379328317 /nfs/dbraw/zinc/32/83/17/379328317.db2.gz IWHRXUWDMSNNJC-CJNGLKHVSA-N 2 1 278.465 3.228 20 0 CGADMP C[N@H+](Cc1ccc2occc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000347576227 218278033 /nfs/dbraw/zinc/27/80/33/218278033.db2.gz AQIDCRCBDQZHDX-OAHLLOKOSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1ccc2occc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000347576227 218278035 /nfs/dbraw/zinc/27/80/35/218278035.db2.gz AQIDCRCBDQZHDX-OAHLLOKOSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1ccc2occc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000347576227 218278038 /nfs/dbraw/zinc/27/80/38/218278038.db2.gz AQIDCRCBDQZHDX-OAHLLOKOSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccccc2Cl)CC1 ZINC000374327707 379421521 /nfs/dbraw/zinc/42/15/21/379421521.db2.gz WWFILEYPDFVKJS-UHFFFAOYSA-N 2 1 278.827 3.400 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC000278983423 194240051 /nfs/dbraw/zinc/24/00/51/194240051.db2.gz PCMSNPXQFFUFEJ-KBXCAEBGSA-N 2 1 281.403 3.186 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+](C)C ZINC000376584913 379584428 /nfs/dbraw/zinc/58/44/28/379584428.db2.gz DGBQIRMEGVJBGN-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC=C(c3cnn(C)c3)C2)c(C)n1 ZINC000639794730 379589732 /nfs/dbraw/zinc/58/97/32/379589732.db2.gz DPUCVCLZLYIQAL-UHFFFAOYSA-N 2 1 296.418 3.030 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754595 379569234 /nfs/dbraw/zinc/56/92/34/379569234.db2.gz CWFYACKBTPBLCJ-CYBMUJFWSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc4ccccc4c3)C2)CC1 ZINC000639756449 379570590 /nfs/dbraw/zinc/57/05/90/379570590.db2.gz VEYVSVHZVOJQMT-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CCCOC(C)C)CC1 ZINC000639987378 379676194 /nfs/dbraw/zinc/67/61/94/379676194.db2.gz CMYKVGSZLQFQFZ-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCC[NH+](CC)CC)C1 ZINC000351470265 379721688 /nfs/dbraw/zinc/72/16/88/379721688.db2.gz BHEDYKVIISPQDF-GJZGRUSLSA-N 2 1 272.502 3.324 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(SC)cc2)[C@@H](C)C1 ZINC000280793678 379791134 /nfs/dbraw/zinc/79/11/34/379791134.db2.gz JVMVDENFIHFKBT-YOEHRIQHSA-N 2 1 292.492 3.271 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000352527338 379844673 /nfs/dbraw/zinc/84/46/73/379844673.db2.gz ZBNKTMDHKOAMOU-CJNGLKHVSA-N 2 1 264.388 3.133 20 0 CGADMP Cc1cncc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640534303 379820107 /nfs/dbraw/zinc/82/01/07/379820107.db2.gz PKNVCQOOVNWNPM-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP Cc1ncsc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533381 379820440 /nfs/dbraw/zinc/82/04/40/379820440.db2.gz GYLOKZLKMIHNMW-UHFFFAOYSA-N 2 1 281.469 3.149 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000352468011 379828215 /nfs/dbraw/zinc/82/82/15/379828215.db2.gz PNRZORKMMLMQIC-HRCADAONSA-N 2 1 290.451 3.176 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000352468011 379828219 /nfs/dbraw/zinc/82/82/19/379828219.db2.gz PNRZORKMMLMQIC-HRCADAONSA-N 2 1 290.451 3.176 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352718204 379921578 /nfs/dbraw/zinc/92/15/78/379921578.db2.gz JCSWOOOCMLEQSS-FHERZECASA-N 2 1 282.472 3.043 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000352759565 379943505 /nfs/dbraw/zinc/94/35/05/379943505.db2.gz JZOATCAGOASIKI-OAHLLOKOSA-N 2 1 272.392 3.254 20 0 CGADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000352821520 379981660 /nfs/dbraw/zinc/98/16/60/379981660.db2.gz PXJNHTJOGCHUOT-MRXNPFEDSA-N 2 1 289.467 3.246 20 0 CGADMP C[C@@H]1CC([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)C1 ZINC000352761579 379946292 /nfs/dbraw/zinc/94/62/92/379946292.db2.gz CCMFJADHDVPSBA-RYUDHWBXSA-N 2 1 281.469 3.119 20 0 CGADMP Cc1cc(C)c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1C ZINC000401876267 379958587 /nfs/dbraw/zinc/95/85/87/379958587.db2.gz NKYOIDLSJAKQQM-OAHLLOKOSA-N 2 1 271.408 3.239 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cnccc2C)C[C@@H]1C ZINC000347871911 218385864 /nfs/dbraw/zinc/38/58/64/218385864.db2.gz TUOOCDNSJAECJS-FUHWJXTLSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cnccc2C)C[C@@H]1C ZINC000347871911 218385866 /nfs/dbraw/zinc/38/58/66/218385866.db2.gz TUOOCDNSJAECJS-FUHWJXTLSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cnccc2C)C[C@@H]1C ZINC000347871911 218385868 /nfs/dbraw/zinc/38/58/68/218385868.db2.gz TUOOCDNSJAECJS-FUHWJXTLSA-N 2 1 289.467 3.127 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000409445275 380031922 /nfs/dbraw/zinc/03/19/22/380031922.db2.gz QTZAIIJULALWKJ-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP CCC(CC)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000409445275 380031923 /nfs/dbraw/zinc/03/19/23/380031923.db2.gz QTZAIIJULALWKJ-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP CCC(CC)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000409445275 380031924 /nfs/dbraw/zinc/03/19/24/380031924.db2.gz QTZAIIJULALWKJ-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000641777233 380093360 /nfs/dbraw/zinc/09/33/60/380093360.db2.gz MWFFNOCQDABNAA-SFHVURJKSA-N 2 1 270.420 3.379 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641790254 380100317 /nfs/dbraw/zinc/10/03/17/380100317.db2.gz VWBPLZDOAUSZMS-YJBOKZPZSA-N 2 1 272.436 3.459 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000641798276 380111533 /nfs/dbraw/zinc/11/15/33/380111533.db2.gz DOVPLCZPUYLXPB-AGIUHOORSA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000641798276 380111538 /nfs/dbraw/zinc/11/15/38/380111538.db2.gz DOVPLCZPUYLXPB-AGIUHOORSA-N 2 1 289.448 3.102 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2nsc3ccccc32)[C@@H]1CC[NH3+] ZINC000641823633 380115317 /nfs/dbraw/zinc/11/53/17/380115317.db2.gz SYHKYOMQYMYFLG-SWLSCSKDSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2nsc3ccccc32)[C@@H]1CC[NH3+] ZINC000641823633 380115328 /nfs/dbraw/zinc/11/53/28/380115328.db2.gz SYHKYOMQYMYFLG-SWLSCSKDSA-N 2 1 289.448 3.246 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)CC(F)(F)F ZINC000414251782 380203087 /nfs/dbraw/zinc/20/30/87/380203087.db2.gz IKSOOZZDBZNJQJ-FQUUOJAGSA-N 2 1 292.389 3.427 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000353987057 380267150 /nfs/dbraw/zinc/26/71/50/380267150.db2.gz MPSMPQOWXHOEAO-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000353987057 380267155 /nfs/dbraw/zinc/26/71/55/380267155.db2.gz MPSMPQOWXHOEAO-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C[C@H](C)O1 ZINC000353599297 380215206 /nfs/dbraw/zinc/21/52/06/380215206.db2.gz WZSXVDBIFIDEDN-YPLQCARHSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1C(C)(C)C1(C)C ZINC000353909761 380230172 /nfs/dbraw/zinc/23/01/72/380230172.db2.gz BPEZJTJSWAMKJE-CHWSQXEVSA-N 2 1 264.457 3.131 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000353927457 380239540 /nfs/dbraw/zinc/23/95/40/380239540.db2.gz JAWOATSTXZXIHO-BZSNNMDCSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCCCC1)c1c[nH+]ccc1N ZINC000643491139 380319543 /nfs/dbraw/zinc/31/95/43/380319543.db2.gz HQTMRWMHCJIGGO-QEJZJMRPSA-N 2 1 273.424 3.361 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)c(C)n1 ZINC000643498664 380320905 /nfs/dbraw/zinc/32/09/05/380320905.db2.gz VZDZQBYBJOLPJX-CQSZACIVSA-N 2 1 275.440 3.401 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000643502556 380326511 /nfs/dbraw/zinc/32/65/11/380326511.db2.gz KAMYYCRLODLHHA-IKGGRYGDSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C1(c2ccccc2)CCCC1 ZINC000643507793 380329872 /nfs/dbraw/zinc/32/98/72/380329872.db2.gz PQJHUKRGZCVLRB-HNNXBMFYSA-N 2 1 272.436 3.229 20 0 CGADMP C(C[NH2+]C1CCC2(CCCCC2)CC1)[NH2+]C1CC1 ZINC000643507632 380330433 /nfs/dbraw/zinc/33/04/33/380330433.db2.gz LFIUBRIUTMVZGO-UHFFFAOYSA-N 2 1 250.430 3.221 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1C(C)C ZINC000643548793 380365617 /nfs/dbraw/zinc/36/56/17/380365617.db2.gz VHEIQRJYQIPPEV-DZGCQCFKSA-N 2 1 290.455 3.098 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000414688381 380374215 /nfs/dbraw/zinc/37/42/15/380374215.db2.gz DCMDZIBNEROYIM-VXGBXAGGSA-N 2 1 284.806 3.299 20 0 CGADMP CC[N@@H+](Cc1cccc(C)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000414717572 380386157 /nfs/dbraw/zinc/38/61/57/380386157.db2.gz PVBFVSWUSXJCNX-QGZVFWFLSA-N 2 1 260.425 3.267 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](Cc2c(F)cccc2F)C2CC2)CC[NH2+]1 ZINC000414741718 380390787 /nfs/dbraw/zinc/39/07/87/380390787.db2.gz FOZABRIVPJIANK-STQMWFEESA-N 2 1 294.389 3.317 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000643526621 380342730 /nfs/dbraw/zinc/34/27/30/380342730.db2.gz CMGJOMUOLYPZAU-VXGBXAGGSA-N 2 1 260.406 3.413 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643529226 380346754 /nfs/dbraw/zinc/34/67/54/380346754.db2.gz XCVFBDISQDGJRP-CJNGLKHVSA-N 2 1 264.413 3.109 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000643543546 380357471 /nfs/dbraw/zinc/35/74/71/380357471.db2.gz ZKEFYHLKPBUJNG-ZFWWWQNUSA-N 2 1 266.454 3.176 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414662015 380358228 /nfs/dbraw/zinc/35/82/28/380358228.db2.gz PLKFGYJLDWSABE-DGCLKSJQSA-N 2 1 286.341 3.183 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414815217 380426482 /nfs/dbraw/zinc/42/64/82/380426482.db2.gz SZMDOJHOADLPGY-BXKDBHETSA-N 2 1 272.845 3.050 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000414818089 380427583 /nfs/dbraw/zinc/42/75/83/380427583.db2.gz URZZTHBFWGYQFJ-CYBMUJFWSA-N 2 1 282.453 3.024 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000414819670 380429356 /nfs/dbraw/zinc/42/93/56/380429356.db2.gz ZHNBQBKQDBRLHF-QGZVFWFLSA-N 2 1 286.419 3.456 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000354328901 380401106 /nfs/dbraw/zinc/40/11/06/380401106.db2.gz JUHCXMPHKKYNSF-GOSISDBHSA-N 2 1 289.467 3.033 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414780975 380401431 /nfs/dbraw/zinc/40/14/31/380401431.db2.gz MFWSIVOZCGSWDN-CVEARBPZSA-N 2 1 294.389 3.446 20 0 CGADMP CC[NH2+]CC[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414853442 380455692 /nfs/dbraw/zinc/45/56/92/380455692.db2.gz XWESNDFKWAEUDT-UHFFFAOYSA-N 2 1 288.357 3.227 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CC(C)(C)c1ccccc1)CC[NH2+]CC2 ZINC000643973769 380403643 /nfs/dbraw/zinc/40/36/43/380403643.db2.gz IPKLSWYROCTEPX-INIZCTEOSA-N 2 1 286.463 3.428 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3cnccc31)CC[NH2+]CC2 ZINC000643973804 380404179 /nfs/dbraw/zinc/40/41/79/380404179.db2.gz YKCRMSCMAXUDGZ-HNNXBMFYSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414788087 380405374 /nfs/dbraw/zinc/40/53/74/380405374.db2.gz WEKJLCNSUCHOQO-HOTGVXAUSA-N 2 1 292.854 3.470 20 0 CGADMP Cc1ccc(CCC[NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)cn1 ZINC000354353425 380409652 /nfs/dbraw/zinc/40/96/52/380409652.db2.gz UKVGIISXUVOQLB-IAGOWNOFSA-N 2 1 289.467 3.175 20 0 CGADMP CCc1nc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cs1 ZINC000414808109 380420544 /nfs/dbraw/zinc/42/05/44/380420544.db2.gz KCSDTPOCHAFPPP-NSHDSACASA-N 2 1 275.421 3.015 20 0 CGADMP C[C@@]1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CCC[NH2+]C1 ZINC000414919802 380489715 /nfs/dbraw/zinc/48/97/15/380489715.db2.gz XTXGYTFABOVWPO-GFCCVEGCSA-N 2 1 292.370 3.246 20 0 CGADMP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414859216 380459250 /nfs/dbraw/zinc/45/92/50/380459250.db2.gz AQIAVYLTAKPWOJ-BZSNNMDCSA-N 2 1 272.436 3.130 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H](C)c1ccccc1 ZINC000414875755 380470735 /nfs/dbraw/zinc/47/07/35/380470735.db2.gz JNDLGQICESHZMY-IAGOWNOFSA-N 2 1 297.446 3.343 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414883277 380474204 /nfs/dbraw/zinc/47/42/04/380474204.db2.gz DGDBPGWVXGNQQC-SFHVURJKSA-N 2 1 296.414 3.189 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)C1CC1 ZINC000414886056 380474443 /nfs/dbraw/zinc/47/44/43/380474443.db2.gz CGJMGQKINNVJTQ-OAHLLOKOSA-N 2 1 290.407 3.381 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(F)c(-c2cccs2)c1)C1CC1 ZINC000414897255 380477874 /nfs/dbraw/zinc/47/78/74/380477874.db2.gz QWOMZICNHWIETC-OAHLLOKOSA-N 2 1 290.407 3.381 20 0 CGADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302931 380587581 /nfs/dbraw/zinc/58/75/81/380587581.db2.gz CFFKOKOTZXZZBU-MHEUCROKSA-N 2 1 278.465 3.170 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000356704390 380830631 /nfs/dbraw/zinc/83/06/31/380830631.db2.gz VUTJPRWDFSKFEH-RHSMWYFYSA-N 2 1 290.426 3.078 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000356897839 380927299 /nfs/dbraw/zinc/92/72/99/380927299.db2.gz MNORRGPCIOMXIB-AWEZNQCLSA-N 2 1 286.423 3.280 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000356840660 380896120 /nfs/dbraw/zinc/89/61/20/380896120.db2.gz FVFDGDOMBHRVLL-PBHICJAKSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000356840660 380896131 /nfs/dbraw/zinc/89/61/31/380896131.db2.gz FVFDGDOMBHRVLL-PBHICJAKSA-N 2 1 258.409 3.182 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000356888244 380923326 /nfs/dbraw/zinc/92/33/26/380923326.db2.gz ZFDVNYHUCXYOMG-KZNAEPCWSA-N 2 1 284.447 3.287 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)C1CCCC1 ZINC000572433043 322337120 /nfs/dbraw/zinc/33/71/20/322337120.db2.gz DJEPMASGFIEBEW-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)C1CCCC1 ZINC000572433043 322337123 /nfs/dbraw/zinc/33/71/23/322337123.db2.gz DJEPMASGFIEBEW-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccn1 ZINC000358308011 381303238 /nfs/dbraw/zinc/30/32/38/381303238.db2.gz XOXNSEOBOKYEHL-VYDXJSESSA-N 2 1 275.440 3.241 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000334856730 207194806 /nfs/dbraw/zinc/19/48/06/207194806.db2.gz JYOFEFGKOWVUMH-CABZTGNLSA-N 2 1 273.207 3.081 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000360677930 381616248 /nfs/dbraw/zinc/61/62/48/381616248.db2.gz BNMVQZVRFPHKRE-GOEBONIOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000360677930 381616252 /nfs/dbraw/zinc/61/62/52/381616252.db2.gz BNMVQZVRFPHKRE-GOEBONIOSA-N 2 1 261.413 3.094 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C(C)C ZINC000360973583 381640048 /nfs/dbraw/zinc/64/00/48/381640048.db2.gz KNSIQFAOFYRYGT-FGTMMUONSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)CC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361315615 381690133 /nfs/dbraw/zinc/69/01/33/381690133.db2.gz LOYMVFBWVZSXHL-RYRKJORJSA-N 2 1 296.499 3.026 20 0 CGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361460154 381753588 /nfs/dbraw/zinc/75/35/88/381753588.db2.gz RYFRAGGEYMPOIN-LZLYRXPVSA-N 2 1 290.451 3.054 20 0 CGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361460154 381753595 /nfs/dbraw/zinc/75/35/95/381753595.db2.gz RYFRAGGEYMPOIN-LZLYRXPVSA-N 2 1 290.451 3.054 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]21 ZINC000230126490 542302955 /nfs/dbraw/zinc/30/29/55/542302955.db2.gz XGEUXKGHNUJECE-BPQIPLTHSA-N 2 1 270.420 3.123 20 0 CGADMP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000365549313 382288750 /nfs/dbraw/zinc/28/87/50/382288750.db2.gz QVOIDWADPRKQNY-AWEZNQCLSA-N 2 1 292.386 3.352 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@H]2CCC[C@@H]21 ZINC000367613542 382352437 /nfs/dbraw/zinc/35/24/37/382352437.db2.gz FZIGWWZLDWEDNA-ILXRZTDVSA-N 2 1 286.410 3.274 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC000368050790 382365496 /nfs/dbraw/zinc/36/54/96/382365496.db2.gz HTFVFSWZKJTFLS-MRXNPFEDSA-N 2 1 299.418 3.080 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000368050790 382365497 /nfs/dbraw/zinc/36/54/97/382365497.db2.gz HTFVFSWZKJTFLS-MRXNPFEDSA-N 2 1 299.418 3.080 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388434 542334732 /nfs/dbraw/zinc/33/47/32/542334732.db2.gz QZCFFMMUBIETHZ-IEBWSBKVSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388434 542334736 /nfs/dbraw/zinc/33/47/36/542334736.db2.gz QZCFFMMUBIETHZ-IEBWSBKVSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388434 542334742 /nfs/dbraw/zinc/33/47/42/542334742.db2.gz QZCFFMMUBIETHZ-IEBWSBKVSA-N 2 1 295.430 3.151 20 0 CGADMP CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000249017563 542338444 /nfs/dbraw/zinc/33/84/44/542338444.db2.gz JOCIPKPABYIMQM-RPVQJOFSSA-N 2 1 299.418 3.399 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000420318081 285100547 /nfs/dbraw/zinc/10/05/47/285100547.db2.gz VPZNQHFLXQTSBU-OAHLLOKOSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000420318081 285100554 /nfs/dbraw/zinc/10/05/54/285100554.db2.gz VPZNQHFLXQTSBU-OAHLLOKOSA-N 2 1 296.842 3.313 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000345172141 285162727 /nfs/dbraw/zinc/16/27/27/285162727.db2.gz TVSFGZNGPLAVNE-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP FC1(F)CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000309917064 542428084 /nfs/dbraw/zinc/42/80/84/542428084.db2.gz OTSUHJRYXSXEOE-MRXNPFEDSA-N 2 1 294.389 3.428 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000221720674 262292722 /nfs/dbraw/zinc/29/27/22/262292722.db2.gz IUHGICLPCOYWAR-GRDNDAEWSA-N 2 1 260.425 3.382 20 0 CGADMP CCC[C@@H](C)[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000187707181 260042570 /nfs/dbraw/zinc/04/25/70/260042570.db2.gz LGUKARKKFCHFKP-MRXNPFEDSA-N 2 1 284.488 3.245 20 0 CGADMP COCC[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357011808 542574072 /nfs/dbraw/zinc/57/40/72/542574072.db2.gz JTGVVLXKYUWLHJ-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)s1 ZINC000423323974 533360406 /nfs/dbraw/zinc/36/04/06/533360406.db2.gz JUNMBWOMLLVUGI-MRVPVSSYSA-N 2 1 289.242 3.043 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1C(F)(F)F ZINC000423313326 533411402 /nfs/dbraw/zinc/41/14/02/533411402.db2.gz FNLBDZMNBFUCHP-NOZJJQNGSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(Br)c1 ZINC000424302575 533519429 /nfs/dbraw/zinc/51/94/29/533519429.db2.gz ZXQJXPIAOYSXRN-LERXQTSPSA-N 2 1 297.240 3.370 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423472198 533519412 /nfs/dbraw/zinc/51/94/12/533519412.db2.gz HVMMPENVRVETDD-RYUDHWBXSA-N 2 1 262.388 3.036 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)COC2 ZINC000423266006 533536855 /nfs/dbraw/zinc/53/68/55/533536855.db2.gz RNCJFKUSTHPYMK-FZKQIMNGSA-N 2 1 288.435 3.275 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c2ccccc12 ZINC000094692770 533567638 /nfs/dbraw/zinc/56/76/38/533567638.db2.gz QBXFPKHERLDTBX-GUYCJALGSA-N 2 1 284.403 3.018 20 0 CGADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390755573 542611396 /nfs/dbraw/zinc/61/13/96/542611396.db2.gz VRDZUVGHUZIOCJ-GOSISDBHSA-N 2 1 297.446 3.027 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392269290 542612899 /nfs/dbraw/zinc/61/28/99/542612899.db2.gz JYCYLNIDMXMMRL-ZBFHGGJFSA-N 2 1 250.430 3.197 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 ZINC000393429030 542613667 /nfs/dbraw/zinc/61/36/67/542613667.db2.gz RLFFNVIBEIQBJH-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000414209290 542634856 /nfs/dbraw/zinc/63/48/56/542634856.db2.gz MZLQLFPMXWZWIE-RYQLBKOJSA-N 2 1 290.451 3.084 20 0 CGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000414209290 542634863 /nfs/dbraw/zinc/63/48/63/542634863.db2.gz MZLQLFPMXWZWIE-RYQLBKOJSA-N 2 1 290.451 3.084 20 0 CGADMP CCC[N@H+](CCC[NH3+])Cc1ccccc1Br ZINC000414736885 542638441 /nfs/dbraw/zinc/63/84/41/542638441.db2.gz DHQSVJUCSCAYKM-UHFFFAOYSA-N 2 1 285.229 3.010 20 0 CGADMP CCC[N@@H+](CCC[NH3+])Cc1ccccc1Br ZINC000414736885 542638444 /nfs/dbraw/zinc/63/84/44/542638444.db2.gz DHQSVJUCSCAYKM-UHFFFAOYSA-N 2 1 285.229 3.010 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414801441 542638737 /nfs/dbraw/zinc/63/87/37/542638737.db2.gz JFOFSEXRKCSWFN-UHFFFAOYSA-N 2 1 254.377 3.181 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCC[NH3+])C1 ZINC000414699207 542638299 /nfs/dbraw/zinc/63/82/99/542638299.db2.gz DMZMKOSJILFZSU-RISCZKNCSA-N 2 1 286.341 3.437 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000037649077 391982016 /nfs/dbraw/zinc/98/20/16/391982016.db2.gz PABFNJJTWTUKEK-OCCSQVGLSA-N 2 1 278.465 3.500 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cc(C)sc2C)CC1 ZINC000049685375 392056871 /nfs/dbraw/zinc/05/68/71/392056871.db2.gz GMLDKEZDHZNMPB-UHFFFAOYSA-N 2 1 266.454 3.329 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358796 392182112 /nfs/dbraw/zinc/18/21/12/392182112.db2.gz KEPMZGIOWOKLKM-AEFFLSMTSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000071122064 392188303 /nfs/dbraw/zinc/18/83/03/392188303.db2.gz CASRKBJUFODVAX-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000071122064 392188308 /nfs/dbraw/zinc/18/83/08/392188308.db2.gz CASRKBJUFODVAX-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000088163943 392226260 /nfs/dbraw/zinc/22/62/60/392226260.db2.gz XMYJTQSIBZBYHS-SVFSVNPNSA-N 2 1 250.430 3.170 20 0 CGADMP CC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000088163943 392226264 /nfs/dbraw/zinc/22/62/64/392226264.db2.gz XMYJTQSIBZBYHS-SVFSVNPNSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000361763654 392316645 /nfs/dbraw/zinc/31/66/45/392316645.db2.gz ISJLISRUANYDNM-QRTARXTBSA-N 2 1 276.424 3.219 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763802 392316994 /nfs/dbraw/zinc/31/69/94/392316994.db2.gz GMTMVFWSUZRAPG-KCQAQPDRSA-N 2 1 293.430 3.025 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763802 392316999 /nfs/dbraw/zinc/31/69/99/392316999.db2.gz GMTMVFWSUZRAPG-KCQAQPDRSA-N 2 1 293.430 3.025 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763802 392317005 /nfs/dbraw/zinc/31/70/05/392317005.db2.gz GMTMVFWSUZRAPG-KCQAQPDRSA-N 2 1 293.430 3.025 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000105480547 392289122 /nfs/dbraw/zinc/28/91/22/392289122.db2.gz RFVZMEFQLGEEDO-FZMZJTMJSA-N 2 1 286.341 3.135 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361931799 392368358 /nfs/dbraw/zinc/36/83/58/392368358.db2.gz YXPRZMOZCZBXGB-RHSMWYFYSA-N 2 1 288.435 3.234 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361931799 392368361 /nfs/dbraw/zinc/36/83/61/392368361.db2.gz YXPRZMOZCZBXGB-RHSMWYFYSA-N 2 1 288.435 3.234 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000286087444 392374240 /nfs/dbraw/zinc/37/42/40/392374240.db2.gz LXFAXXHFYSJTCD-HOTGVXAUSA-N 2 1 275.440 3.305 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453291613 542680653 /nfs/dbraw/zinc/68/06/53/542680653.db2.gz MEXMMDRWHKWDIO-KBRIMQKVSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453291613 542680657 /nfs/dbraw/zinc/68/06/57/542680657.db2.gz MEXMMDRWHKWDIO-KBRIMQKVSA-N 2 1 258.409 3.210 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000362016250 392388375 /nfs/dbraw/zinc/38/83/75/392388375.db2.gz PIYVXCLSUJVDGB-TZMCWYRMSA-N 2 1 298.377 3.026 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000362016250 392388382 /nfs/dbraw/zinc/38/83/82/392388382.db2.gz PIYVXCLSUJVDGB-TZMCWYRMSA-N 2 1 298.377 3.026 20 0 CGADMP CCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134872108 392467939 /nfs/dbraw/zinc/46/79/39/392467939.db2.gz UXOLYCVQZQQPIM-GDBMZVCRSA-N 2 1 250.430 3.125 20 0 CGADMP CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134872108 392467941 /nfs/dbraw/zinc/46/79/41/392467941.db2.gz UXOLYCVQZQQPIM-GDBMZVCRSA-N 2 1 250.430 3.125 20 0 CGADMP CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134872108 392467942 /nfs/dbraw/zinc/46/79/42/392467942.db2.gz UXOLYCVQZQQPIM-GDBMZVCRSA-N 2 1 250.430 3.125 20 0 CGADMP Cc1c[nH+]ccc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000366884938 392459412 /nfs/dbraw/zinc/45/94/12/392459412.db2.gz WSRABDBHSCBVBS-KRWDZBQOSA-N 2 1 281.403 3.101 20 0 CGADMP CC(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000153466241 392519107 /nfs/dbraw/zinc/51/91/07/392519107.db2.gz SDETUGKIFQRKBZ-HOTGVXAUSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000153466241 392519110 /nfs/dbraw/zinc/51/91/10/392519110.db2.gz SDETUGKIFQRKBZ-HOTGVXAUSA-N 2 1 290.451 3.041 20 0 CGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000293751416 392527013 /nfs/dbraw/zinc/52/70/13/392527013.db2.gz QIVKZTRLOJDDSY-DDBAPUKQSA-N 2 1 288.410 3.288 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000482501796 542706709 /nfs/dbraw/zinc/70/67/09/542706709.db2.gz CTMBXNJTDUMJLH-QAPCUYQASA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000647289963 392640716 /nfs/dbraw/zinc/64/07/16/392640716.db2.gz RCDZTGUZWSOBBJ-OIISXLGYSA-N 2 1 275.440 3.241 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000647289963 392640720 /nfs/dbraw/zinc/64/07/20/392640720.db2.gz RCDZTGUZWSOBBJ-OIISXLGYSA-N 2 1 275.440 3.241 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCC1 ZINC000505339221 392660759 /nfs/dbraw/zinc/66/07/59/392660759.db2.gz UDQUZEKOBXXESB-UHFFFAOYSA-N 2 1 260.425 3.240 20 0 CGADMP Cc1ccccc1C1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000647316519 392662181 /nfs/dbraw/zinc/66/21/81/392662181.db2.gz PANJYQXQBWRCPI-UHFFFAOYSA-N 2 1 270.420 3.201 20 0 CGADMP CCCOc1ccc(C[N@@H+](CCC)C2CC[NH2+]CC2)cc1 ZINC000647485062 392739102 /nfs/dbraw/zinc/73/91/02/392739102.db2.gz ZLSFHOPRROQHDB-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@H](C)F)CC1 ZINC000509278164 392741760 /nfs/dbraw/zinc/74/17/60/392741760.db2.gz XREHREPFPAUSBT-AWEZNQCLSA-N 2 1 258.425 3.178 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nccc2ccccc21 ZINC000647506199 392744215 /nfs/dbraw/zinc/74/42/15/392744215.db2.gz OYBYDVIIKRJAHK-MRXNPFEDSA-N 2 1 271.408 3.040 20 0 CGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182376417 392744800 /nfs/dbraw/zinc/74/48/00/392744800.db2.gz SEJLIUBJAMVQGT-SCLBCKFNSA-N 2 1 288.410 3.277 20 0 CGADMP c1c2ccccc2[nH]c1[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000647514052 392746433 /nfs/dbraw/zinc/74/64/33/392746433.db2.gz DSGSUEQLZMNRSO-KRWDZBQOSA-N 2 1 297.446 3.347 20 0 CGADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CCCCCC1 ZINC000647533997 392754064 /nfs/dbraw/zinc/75/40/64/392754064.db2.gz DIGKRWDJFCMRCN-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CCCCCC1 ZINC000647533997 392754073 /nfs/dbraw/zinc/75/40/73/392754073.db2.gz DIGKRWDJFCMRCN-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543039 392759716 /nfs/dbraw/zinc/75/97/16/392759716.db2.gz GXBQEMXDKIKFTH-ROUUACIJSA-N 2 1 272.436 3.207 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc2cn1 ZINC000647545720 392761939 /nfs/dbraw/zinc/76/19/39/392761939.db2.gz JQZSESBQSHSSJE-RTBURBONSA-N 2 1 295.430 3.056 20 0 CGADMP CO[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000375455648 392783551 /nfs/dbraw/zinc/78/35/51/392783551.db2.gz CKPVYLTUSWEWGW-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)[C@H](C)Cc1ccsc1 ZINC000187777835 392791059 /nfs/dbraw/zinc/79/10/59/392791059.db2.gz MCLNWVHYOJVKIR-OAHLLOKOSA-N 2 1 280.481 3.487 20 0 CGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCCO2 ZINC000335567908 392798870 /nfs/dbraw/zinc/79/88/70/392798870.db2.gz HVTQOIHMJUSFCN-KRWDZBQOSA-N 2 1 288.435 3.365 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335568402 392799130 /nfs/dbraw/zinc/79/91/30/392799130.db2.gz LJFDFDTYHKCTAK-KRWDZBQOSA-N 2 1 288.435 3.365 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000189468073 392805842 /nfs/dbraw/zinc/80/58/42/392805842.db2.gz ZXYNMRGACFPDIR-UXLLHSPISA-N 2 1 286.419 3.035 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000189468073 392805846 /nfs/dbraw/zinc/80/58/46/392805846.db2.gz ZXYNMRGACFPDIR-UXLLHSPISA-N 2 1 286.419 3.035 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510654379 392807141 /nfs/dbraw/zinc/80/71/41/392807141.db2.gz XIAXEIOMOSKOME-UONOGXRCSA-N 2 1 296.405 3.217 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000510753995 392815075 /nfs/dbraw/zinc/81/50/75/392815075.db2.gz MVZCNOZPDGCIBM-KSZLIROESA-N 2 1 276.468 3.419 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000510753995 392815081 /nfs/dbraw/zinc/81/50/81/392815081.db2.gz MVZCNOZPDGCIBM-KSZLIROESA-N 2 1 276.468 3.419 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647876336 392820648 /nfs/dbraw/zinc/82/06/48/392820648.db2.gz WIPGIFYDFZSQDE-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP c1ccc([C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000647874650 392821127 /nfs/dbraw/zinc/82/11/27/392821127.db2.gz JUKXDZDLLNBYKC-JXFKEZNVSA-N 2 1 292.426 3.244 20 0 CGADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000647882650 392824479 /nfs/dbraw/zinc/82/44/79/392824479.db2.gz JTFJAZSBPLJCCO-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647885019 392826455 /nfs/dbraw/zinc/82/64/55/392826455.db2.gz YAALMQFBBWSXOZ-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)CC2 ZINC000647903041 392828849 /nfs/dbraw/zinc/82/88/49/392828849.db2.gz FGYAQKYOKZBMGH-BMGDILEWSA-N 2 1 288.410 3.277 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000486990249 542710263 /nfs/dbraw/zinc/71/02/63/542710263.db2.gz WNUYXUWEGQYOSJ-UHFFFAOYSA-N 2 1 293.480 3.373 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647978425 392855262 /nfs/dbraw/zinc/85/52/62/392855262.db2.gz RQEFYHJEFOSINO-IAGOWNOFSA-N 2 1 292.492 3.392 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1C1CCC1)C1CC[NH2+]CC1 ZINC000647997405 392860182 /nfs/dbraw/zinc/86/01/82/392860182.db2.gz AGQFCBQYLXXZAH-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674165 392880237 /nfs/dbraw/zinc/88/02/37/392880237.db2.gz WHUPDEJGMXRPBX-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674165 392880243 /nfs/dbraw/zinc/88/02/43/392880243.db2.gz WHUPDEJGMXRPBX-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674165 392880249 /nfs/dbraw/zinc/88/02/49/392880249.db2.gz WHUPDEJGMXRPBX-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](C2CC2)C1)[NH+]1CC[C@H](C2CC2)C1 ZINC000491242812 542717235 /nfs/dbraw/zinc/71/72/35/542717235.db2.gz IWDRQSHIJIVOBA-OLMNPRSZSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H](C2CC2)C1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491242812 542717240 /nfs/dbraw/zinc/71/72/40/542717240.db2.gz IWDRQSHIJIVOBA-OLMNPRSZSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H](C2CC2)C1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491242812 542717245 /nfs/dbraw/zinc/71/72/45/542717245.db2.gz IWDRQSHIJIVOBA-OLMNPRSZSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(O)c1 ZINC000194852786 392941360 /nfs/dbraw/zinc/94/13/60/392941360.db2.gz APQBUXQSYSWRDO-OAGGEKHMSA-N 2 1 290.451 3.411 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@H](C)c1ccc(F)cc1)C(C)C ZINC000525870121 392951614 /nfs/dbraw/zinc/95/16/14/392951614.db2.gz PEKDYLPDOHBRBE-AWEZNQCLSA-N 2 1 266.404 3.249 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@H](C)c1ccc(F)cc1)C(C)C ZINC000525870121 392951617 /nfs/dbraw/zinc/95/16/17/392951617.db2.gz PEKDYLPDOHBRBE-AWEZNQCLSA-N 2 1 266.404 3.249 20 0 CGADMP Cc1ncsc1C[N@@H+](CCCC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000339415365 392956108 /nfs/dbraw/zinc/95/61/08/392956108.db2.gz RGCAYKAYLWYFKB-OAHLLOKOSA-N 2 1 295.496 3.299 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C[C@H]1c1ccccc1 ZINC000340376715 392972606 /nfs/dbraw/zinc/97/26/06/392972606.db2.gz GUQJOOCAGVPSFW-CABCVRRESA-N 2 1 294.389 3.457 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C[C@H]1c1ccccc1 ZINC000340376715 392972609 /nfs/dbraw/zinc/97/26/09/392972609.db2.gz GUQJOOCAGVPSFW-CABCVRRESA-N 2 1 294.389 3.457 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000340174627 392966533 /nfs/dbraw/zinc/96/65/33/392966533.db2.gz RNKIVPFQQTWSDB-OALUTQOASA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000340174627 392966537 /nfs/dbraw/zinc/96/65/37/392966537.db2.gz RNKIVPFQQTWSDB-OALUTQOASA-N 2 1 295.430 3.049 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000232508473 393026817 /nfs/dbraw/zinc/02/68/17/393026817.db2.gz VPAPXXDHURGJFT-QGZVFWFLSA-N 2 1 260.425 3.155 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000415012614 393095384 /nfs/dbraw/zinc/09/53/84/393095384.db2.gz SVNBYGIIYYKDPR-GHMZBOCLSA-N 2 1 278.396 3.380 20 0 CGADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)O1 ZINC000248883223 393097782 /nfs/dbraw/zinc/09/77/82/393097782.db2.gz GSCOAAUARSMZKJ-XWTMOSNGSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1CC[C@H](C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)O1 ZINC000248883223 393097791 /nfs/dbraw/zinc/09/77/91/393097791.db2.gz GSCOAAUARSMZKJ-XWTMOSNGSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1CC[C@H](C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)O1 ZINC000248883223 393097797 /nfs/dbraw/zinc/09/77/97/393097797.db2.gz GSCOAAUARSMZKJ-XWTMOSNGSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000467514303 393104081 /nfs/dbraw/zinc/10/40/81/393104081.db2.gz PZCDETDKBOVTEX-KRWDZBQOSA-N 2 1 274.452 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC[N@@H+]1C ZINC000414093975 393039678 /nfs/dbraw/zinc/03/96/78/393039678.db2.gz FYNYYHRRDYTDQG-APIJFGDWSA-N 2 1 282.472 3.041 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC[N@H+]1C ZINC000414093975 393039684 /nfs/dbraw/zinc/03/96/84/393039684.db2.gz FYNYYHRRDYTDQG-APIJFGDWSA-N 2 1 282.472 3.041 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000414172278 393042378 /nfs/dbraw/zinc/04/23/78/393042378.db2.gz DRQVFBJXQZJZJD-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000414692204 393052613 /nfs/dbraw/zinc/05/26/13/393052613.db2.gz KJBYCBFNRNBWEU-CHWSQXEVSA-N 2 1 278.827 3.086 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414976826 393074999 /nfs/dbraw/zinc/07/49/99/393074999.db2.gz QKMBRGKWPCSQAU-AWEZNQCLSA-N 2 1 293.480 3.278 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414976829 393075020 /nfs/dbraw/zinc/07/50/20/393075020.db2.gz QKMBRGKWPCSQAU-CQSZACIVSA-N 2 1 293.480 3.278 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414979563 393076712 /nfs/dbraw/zinc/07/67/12/393076712.db2.gz VMVGGFIIONDXCD-QGZVFWFLSA-N 2 1 284.403 3.424 20 0 CGADMP C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347927611 393110228 /nfs/dbraw/zinc/11/02/28/393110228.db2.gz IAWRMPSAHXQYCX-NWDGAFQWSA-N 2 1 278.362 3.181 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000347921299 393110614 /nfs/dbraw/zinc/11/06/14/393110614.db2.gz MRTQOIHVPMLADH-KRWDZBQOSA-N 2 1 292.492 3.337 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000347921299 393110619 /nfs/dbraw/zinc/11/06/19/393110619.db2.gz MRTQOIHVPMLADH-KRWDZBQOSA-N 2 1 292.492 3.337 20 0 CGADMP [NH3+]CCC[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000415044223 393110594 /nfs/dbraw/zinc/11/05/94/393110594.db2.gz AQXRTJIWHHFPKH-LBPRGKRZSA-N 2 1 295.839 3.366 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648585353 393114191 /nfs/dbraw/zinc/11/41/91/393114191.db2.gz BBBWITRTGKWUSV-VQIMIIECSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@@]1(C)C[NH3+] ZINC000415055205 393117767 /nfs/dbraw/zinc/11/77/67/393117767.db2.gz NLFAOZXYWATHMH-DNVCBOLYSA-N 2 1 295.430 3.165 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000415070468 393128541 /nfs/dbraw/zinc/12/85/41/393128541.db2.gz VCMWXSOCFBPAEN-WXRRBKDZSA-N 2 1 278.362 3.215 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C1CCCC1 ZINC000415073631 393130549 /nfs/dbraw/zinc/13/05/49/393130549.db2.gz ZQJYYWXNHWIPAX-LLVKDONJSA-N 2 1 292.370 3.374 20 0 CGADMP C(C[N@H+]1CCC2(C1)CCCCC2)C1CC[NH2+]CC1 ZINC000261574201 393140878 /nfs/dbraw/zinc/14/08/78/393140878.db2.gz MNRSIBBELUJCDH-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CCC2)c1 ZINC000415101426 393144979 /nfs/dbraw/zinc/14/49/79/393144979.db2.gz ILHHUQZIIANUSC-CQSZACIVSA-N 2 1 298.352 3.079 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000415108456 393147460 /nfs/dbraw/zinc/14/74/60/393147460.db2.gz KTMKKKLSUQFCSN-ROUUACIJSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@]1(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CC[NH2+]C1 ZINC000415124123 393151236 /nfs/dbraw/zinc/15/12/36/393151236.db2.gz NXLDSDJAFLQTNJ-ZWKOTPCHSA-N 2 1 284.447 3.256 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(C)(C)C ZINC000646243257 393245935 /nfs/dbraw/zinc/24/59/35/393245935.db2.gz QCIFJLAPDQGNGY-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C(C)(C)C ZINC000646243257 393245937 /nfs/dbraw/zinc/24/59/37/393245937.db2.gz QCIFJLAPDQGNGY-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C(C)(C)C ZINC000646243257 393245939 /nfs/dbraw/zinc/24/59/39/393245939.db2.gz QCIFJLAPDQGNGY-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471835233 393315237 /nfs/dbraw/zinc/31/52/37/393315237.db2.gz UXCXKTIFHYOXRP-SJORKVTESA-N 2 1 260.425 3.069 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000475348349 393394512 /nfs/dbraw/zinc/39/45/12/393394512.db2.gz CYOZHRZFVAREPP-BMFZPTHFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000484284995 393445344 /nfs/dbraw/zinc/44/53/44/393445344.db2.gz AQNXKRBADIGUJX-AAVRWANBSA-N 2 1 292.389 3.427 20 0 CGADMP C[C@@H](C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420296012 393453536 /nfs/dbraw/zinc/45/35/36/393453536.db2.gz CVTHAQSOUCPXEE-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301097 393455584 /nfs/dbraw/zinc/45/55/84/393455584.db2.gz IJEFAWYXQFWREN-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP COc1ccc(CC[N@@H+](Cc2ccccc2)C[C@@H](C)[NH3+])cc1 ZINC000420311025 393459114 /nfs/dbraw/zinc/45/91/14/393459114.db2.gz VRZIVLHZGYPVRH-MRXNPFEDSA-N 2 1 298.430 3.087 20 0 CGADMP COc1ccc(CC[N@H+](Cc2ccccc2)C[C@@H](C)[NH3+])cc1 ZINC000420311025 393459116 /nfs/dbraw/zinc/45/91/16/393459116.db2.gz VRZIVLHZGYPVRH-MRXNPFEDSA-N 2 1 298.430 3.087 20 0 CGADMP C(C[N@@H+](CC1CC1)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000420310485 393459342 /nfs/dbraw/zinc/45/93/42/393459342.db2.gz VBNSKHRZSSZDDN-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](C[C@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]CC1 ZINC000420315907 393460731 /nfs/dbraw/zinc/46/07/31/393460731.db2.gz SEZLIBACCQMHRR-KBPBESRZSA-N 2 1 274.399 3.276 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000420316811 393464221 /nfs/dbraw/zinc/46/42/21/393464221.db2.gz MJOFPHIOCWGNGZ-OLZOCXBDSA-N 2 1 281.469 3.006 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)CC[C@H]1CC[NH2+]C1 ZINC000420321303 393466132 /nfs/dbraw/zinc/46/61/32/393466132.db2.gz RENGYWVSSHAWSF-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2CC(C)C)cc1 ZINC000420326266 393468922 /nfs/dbraw/zinc/46/89/22/393468922.db2.gz XBYAPQOGWKMASI-SJORKVTESA-N 2 1 290.451 3.248 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1ccc2ccccc2c1 ZINC000420359737 393473232 /nfs/dbraw/zinc/47/32/32/393473232.db2.gz KHXZTHMNBXPJKD-QGZVFWFLSA-N 2 1 270.420 3.345 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000420372753 393476539 /nfs/dbraw/zinc/47/65/39/393476539.db2.gz LYSPQYIGSGXVJC-CYBMUJFWSA-N 2 1 286.341 3.104 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000420367649 393477058 /nfs/dbraw/zinc/47/70/58/393477058.db2.gz MZWIYRVJKRHZLJ-OMNBBPDLSA-N 2 1 258.409 3.040 20 0 CGADMP C[NH2+]CCC[N@@H+](C)CCCOc1ccc2ccccc2c1 ZINC000420386897 393479660 /nfs/dbraw/zinc/47/96/60/393479660.db2.gz JPQVRVOVTKAYLR-UHFFFAOYSA-N 2 1 286.419 3.150 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC(C(C)C)C1 ZINC000488424493 393507504 /nfs/dbraw/zinc/50/75/04/393507504.db2.gz RYSARLUXTRQKHU-GPANFISMSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CC(C(C)C)C1 ZINC000488424493 393507506 /nfs/dbraw/zinc/50/75/06/393507506.db2.gz RYSARLUXTRQKHU-GPANFISMSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CCCC1 ZINC000488448781 393518594 /nfs/dbraw/zinc/51/85/94/393518594.db2.gz NWXCMABLXNNTKC-ZIAGYGMSSA-N 2 1 284.513 3.371 20 0 CGADMP C(C[NH+]1CCC12CCCC2)OCC[N@H+]1CCC12CCCC2 ZINC000649658048 393529287 /nfs/dbraw/zinc/52/92/87/393529287.db2.gz WEABUIHDONYBKW-UHFFFAOYSA-N 2 1 292.467 3.040 20 0 CGADMP Cc1nccn1CCC[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000359576407 393553488 /nfs/dbraw/zinc/55/34/88/393553488.db2.gz AFFPLFDIJUFHFR-QGZVFWFLSA-N 2 1 297.446 3.319 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000359576407 393553495 /nfs/dbraw/zinc/55/34/95/393553495.db2.gz AFFPLFDIJUFHFR-QGZVFWFLSA-N 2 1 297.446 3.319 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000359576407 393553500 /nfs/dbraw/zinc/55/35/00/393553500.db2.gz AFFPLFDIJUFHFR-QGZVFWFLSA-N 2 1 297.446 3.319 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000430552306 393573988 /nfs/dbraw/zinc/57/39/88/393573988.db2.gz JXROJRJWLQQQDM-NEPJUHHUSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000430552306 393573993 /nfs/dbraw/zinc/57/39/93/393573993.db2.gz JXROJRJWLQQQDM-NEPJUHHUSA-N 2 1 284.806 3.081 20 0 CGADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000430581386 393577950 /nfs/dbraw/zinc/57/79/50/393577950.db2.gz IUFAUMRCAVBGBG-CYBMUJFWSA-N 2 1 293.455 3.355 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC3 ZINC000666769670 542814941 /nfs/dbraw/zinc/81/49/41/542814941.db2.gz AJJGADKMCNOIJT-LSDHHAIUSA-N 2 1 297.446 3.065 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000432368292 393607063 /nfs/dbraw/zinc/60/70/63/393607063.db2.gz PKDQGVUBNODTLP-KURKYZTESA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000432430019 393613858 /nfs/dbraw/zinc/61/38/58/393613858.db2.gz RLYAXEZELDQAJD-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000432430019 393613861 /nfs/dbraw/zinc/61/38/61/393613861.db2.gz RLYAXEZELDQAJD-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccsc2)C[C@@H]1C ZINC000360966174 393626289 /nfs/dbraw/zinc/62/62/89/393626289.db2.gz OAADRTKMSFGLQE-HOCLYGCPSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccsc2)C[C@@H]1C ZINC000360966174 393626293 /nfs/dbraw/zinc/62/62/93/393626293.db2.gz OAADRTKMSFGLQE-HOCLYGCPSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccsc2)C[C@@H]1C ZINC000360966174 393626296 /nfs/dbraw/zinc/62/62/96/393626296.db2.gz OAADRTKMSFGLQE-HOCLYGCPSA-N 2 1 280.481 3.485 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000423139195 393652237 /nfs/dbraw/zinc/65/22/37/393652237.db2.gz ZETWHZFIGZEVKN-MXWKQRLJSA-N 2 1 270.829 3.248 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423290334 393659273 /nfs/dbraw/zinc/65/92/73/393659273.db2.gz ZSQAFVREFDOKFJ-LLVKDONJSA-N 2 1 273.207 3.308 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423434617 393666505 /nfs/dbraw/zinc/66/65/05/393666505.db2.gz DBTNTEXKJQSXCW-YVZVNANGSA-N 2 1 273.207 3.306 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000494898256 393777170 /nfs/dbraw/zinc/77/71/70/393777170.db2.gz PXOMVQGVTTZKGK-RKVPGOIHSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000494898256 393777172 /nfs/dbraw/zinc/77/71/72/393777172.db2.gz PXOMVQGVTTZKGK-RKVPGOIHSA-N 2 1 272.436 3.069 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000502709852 393883215 /nfs/dbraw/zinc/88/32/15/393883215.db2.gz SVZBOSOJHDFKSF-KZNAEPCWSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000502709852 393883217 /nfs/dbraw/zinc/88/32/17/393883217.db2.gz SVZBOSOJHDFKSF-KZNAEPCWSA-N 2 1 296.499 3.436 20 0 CGADMP Fc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995765 542833854 /nfs/dbraw/zinc/83/38/54/542833854.db2.gz ZOTVXRKDJLOWNC-CQSZACIVSA-N 2 1 282.790 3.243 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450473447 393997858 /nfs/dbraw/zinc/99/78/58/393997858.db2.gz NOWYAHBNVGCPMV-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450473447 393997860 /nfs/dbraw/zinc/99/78/60/393997860.db2.gz NOWYAHBNVGCPMV-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450473447 393997862 /nfs/dbraw/zinc/99/78/62/393997862.db2.gz NOWYAHBNVGCPMV-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP CCc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)cc[nH+]1 ZINC000450488204 394004235 /nfs/dbraw/zinc/00/42/35/394004235.db2.gz UOXMGJULLUNAJK-UHFFFAOYSA-N 2 1 297.402 3.395 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000453068429 394160603 /nfs/dbraw/zinc/16/06/03/394160603.db2.gz AHGPSCWYNMANBN-NVXWUHKLSA-N 2 1 275.440 3.387 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000453108974 394173803 /nfs/dbraw/zinc/17/38/03/394173803.db2.gz MAIKXAHCADUHDA-HOTGVXAUSA-N 2 1 284.488 3.028 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1(C2CCC2)CCC1 ZINC000453395455 394231362 /nfs/dbraw/zinc/23/13/62/394231362.db2.gz JUEHZLLZNJLTJJ-HOTGVXAUSA-N 2 1 262.441 3.173 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453431378 394244801 /nfs/dbraw/zinc/24/48/01/394244801.db2.gz RCCOGPFQUVYBKZ-AWEZNQCLSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccs1 ZINC000453442188 394246446 /nfs/dbraw/zinc/24/64/46/394246446.db2.gz YCDGVDBYYKTUIK-LBPRGKRZSA-N 2 1 252.427 3.273 20 0 CGADMP CCCC[C@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668181605 542983340 /nfs/dbraw/zinc/98/33/40/542983340.db2.gz NNDXMCXGLLHVTK-AWEZNQCLSA-N 2 1 272.396 3.278 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(C)(C)C ZINC000670265734 543148056 /nfs/dbraw/zinc/14/80/56/543148056.db2.gz ZIZYOUULFOXRKA-QLFBSQMISA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(C)(C)C ZINC000670265734 543148057 /nfs/dbraw/zinc/14/80/57/543148057.db2.gz ZIZYOUULFOXRKA-QLFBSQMISA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(C)(C)C ZINC000670265734 543148059 /nfs/dbraw/zinc/14/80/59/543148059.db2.gz ZIZYOUULFOXRKA-QLFBSQMISA-N 2 1 252.446 3.085 20 0 CGADMP COC1(CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000339085119 292108672 /nfs/dbraw/zinc/10/86/72/292108672.db2.gz PBYXMZDRWHOLEY-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000262097159 292111232 /nfs/dbraw/zinc/11/12/32/292111232.db2.gz VICGYWKGQYJYJQ-QZTJIDSGSA-N 2 1 272.436 3.002 20 0 CGADMP COC1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000361551231 292111288 /nfs/dbraw/zinc/11/12/88/292111288.db2.gz IQXIMINSXJOZRW-KRWDZBQOSA-N 2 1 294.483 3.286 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000301679390 397675334 /nfs/dbraw/zinc/67/53/34/397675334.db2.gz OPGVLVAVLUWFCT-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000650711861 397898835 /nfs/dbraw/zinc/89/88/35/397898835.db2.gz GQSQEHVVZVTZLG-WMZOPIPTSA-N 2 1 290.451 3.295 20 0 CGADMP Fc1ccccc1C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000650715031 397900074 /nfs/dbraw/zinc/90/00/74/397900074.db2.gz MAQRULJHHNRXCE-NVXWUHKLSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650724870 397902635 /nfs/dbraw/zinc/90/26/35/397902635.db2.gz NVDCJFRCJUCVJJ-DISONHOPSA-N 2 1 294.483 3.174 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675783685 543364666 /nfs/dbraw/zinc/36/46/66/543364666.db2.gz PTADDZNTHUOHTG-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+]CCCn1cc[nH+]c1C ZINC000675754133 543360801 /nfs/dbraw/zinc/36/08/01/543360801.db2.gz MWFGAKOEAADLTM-AWEZNQCLSA-N 2 1 277.437 3.254 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000676839000 543420908 /nfs/dbraw/zinc/42/09/08/543420908.db2.gz ISIUIFPXNKEWJC-GHMZBOCLSA-N 2 1 292.452 3.252 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000677242032 543441496 /nfs/dbraw/zinc/44/14/96/543441496.db2.gz WKZHHZNAAVMXAS-IRXDYDNUSA-N 2 1 290.426 3.320 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000677984513 543475022 /nfs/dbraw/zinc/47/50/22/543475022.db2.gz LHDDWUORKGRXKP-SFHVURJKSA-N 2 1 298.434 3.498 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(C2CCCC2)CC1 ZINC000677983632 543475056 /nfs/dbraw/zinc/47/50/56/543475056.db2.gz AJCWIKVDOPTHIH-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000678077541 543481571 /nfs/dbraw/zinc/48/15/71/543481571.db2.gz UQZBGHKKPSVCRD-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678077541 543481574 /nfs/dbraw/zinc/48/15/74/543481574.db2.gz UQZBGHKKPSVCRD-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678077541 543481576 /nfs/dbraw/zinc/48/15/76/543481576.db2.gz UQZBGHKKPSVCRD-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000678075237 543481733 /nfs/dbraw/zinc/48/17/33/543481733.db2.gz ZSAPZRAZVDFRGR-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000678075237 543481736 /nfs/dbraw/zinc/48/17/36/543481736.db2.gz ZSAPZRAZVDFRGR-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000678075237 543481739 /nfs/dbraw/zinc/48/17/39/543481739.db2.gz ZSAPZRAZVDFRGR-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000279731136 286023132 /nfs/dbraw/zinc/02/31/32/286023132.db2.gz NNKWQNRLXGGTIP-WBVHZDCISA-N 2 1 278.440 3.083 20 0 CGADMP c1ccc(C2CC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000678277050 543509864 /nfs/dbraw/zinc/50/98/64/543509864.db2.gz PUIJFGDSESOOTO-INIZCTEOSA-N 2 1 284.447 3.482 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC000678338420 543516081 /nfs/dbraw/zinc/51/60/81/543516081.db2.gz CNDNEMWNCRXXOR-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC000678338420 543516082 /nfs/dbraw/zinc/51/60/82/543516082.db2.gz CNDNEMWNCRXXOR-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000247056405 286049257 /nfs/dbraw/zinc/04/92/57/286049257.db2.gz MJIOXZXGAVWEAO-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000678768252 543554646 /nfs/dbraw/zinc/55/46/46/543554646.db2.gz JVNYGWOZFDCAOA-CXAGYDPISA-N 2 1 269.392 3.105 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1C ZINC000262115690 292267334 /nfs/dbraw/zinc/26/73/34/292267334.db2.gz WWBLFDSBXPZZNY-MSOLQXFVSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000084946445 165175377 /nfs/dbraw/zinc/17/53/77/165175377.db2.gz XAMIPUJPMYAHOL-BBRMVZONSA-N 2 1 260.425 3.153 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000086254373 165179708 /nfs/dbraw/zinc/17/97/08/165179708.db2.gz QVCYSILJMKSGKR-HNNXBMFYSA-N 2 1 283.419 3.330 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000086256639 165180540 /nfs/dbraw/zinc/18/05/40/165180540.db2.gz RHGHJDFJOXNQNZ-YJBOKZPZSA-N 2 1 283.419 3.157 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000086256639 165180545 /nfs/dbraw/zinc/18/05/45/165180545.db2.gz RHGHJDFJOXNQNZ-YJBOKZPZSA-N 2 1 283.419 3.157 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c(C)cccc2C)[C@H](C)C1 ZINC000090469054 287102052 /nfs/dbraw/zinc/10/20/52/287102052.db2.gz FPBPBEPRMLSCFF-AEFFLSMTSA-N 2 1 274.452 3.166 20 0 CGADMP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000093683848 165335699 /nfs/dbraw/zinc/33/56/99/165335699.db2.gz FPUYDWMDYKEYHV-CQSZACIVSA-N 2 1 264.438 3.056 20 0 CGADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000093683848 165335701 /nfs/dbraw/zinc/33/57/01/165335701.db2.gz FPUYDWMDYKEYHV-CQSZACIVSA-N 2 1 264.438 3.056 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1C(C)C ZINC000094342257 165350994 /nfs/dbraw/zinc/35/09/94/165350994.db2.gz SNCJOVHGQHCWBJ-CRAIPNDOSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000094522089 165351828 /nfs/dbraw/zinc/35/18/28/165351828.db2.gz RUQIJDSKUKPNFR-GUYCJALGSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094522089 165351829 /nfs/dbraw/zinc/35/18/29/165351829.db2.gz RUQIJDSKUKPNFR-GUYCJALGSA-N 2 1 258.409 3.266 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)c2C)C1 ZINC000093742147 287118690 /nfs/dbraw/zinc/11/86/90/287118690.db2.gz JQXRPWLLIAPSRV-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000093742147 287118691 /nfs/dbraw/zinc/11/86/91/287118691.db2.gz JQXRPWLLIAPSRV-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000093742147 287118695 /nfs/dbraw/zinc/11/86/95/287118695.db2.gz JQXRPWLLIAPSRV-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC000120777825 287187302 /nfs/dbraw/zinc/18/73/02/287187302.db2.gz JEXHBMQQHLFJPT-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000121205124 287194465 /nfs/dbraw/zinc/19/44/65/287194465.db2.gz FFUNKEJNXNFPHH-DOTOQJQBSA-N 2 1 260.425 3.042 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410815 287218319 /nfs/dbraw/zinc/21/83/19/287218319.db2.gz VITLZNCWVJZSEV-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000284288160 196022474 /nfs/dbraw/zinc/02/24/74/196022474.db2.gz KCWKOOYFXAFRRE-LBPRGKRZSA-N 2 1 299.846 3.126 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2occc2c1 ZINC000285487178 196300950 /nfs/dbraw/zinc/30/09/50/196300950.db2.gz PBMBYBSMKAGQMQ-UHFFFAOYSA-N 2 1 269.348 3.118 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285646330 196354662 /nfs/dbraw/zinc/35/46/62/196354662.db2.gz YBMRMQKVKNGFQF-DFNIBXOVSA-N 2 1 286.463 3.349 20 0 CGADMP CCc1ccccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285646330 196354664 /nfs/dbraw/zinc/35/46/64/196354664.db2.gz YBMRMQKVKNGFQF-DFNIBXOVSA-N 2 1 286.463 3.349 20 0 CGADMP CCc1ccccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285646330 196354667 /nfs/dbraw/zinc/35/46/67/196354667.db2.gz YBMRMQKVKNGFQF-DFNIBXOVSA-N 2 1 286.463 3.349 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC000037248571 173060755 /nfs/dbraw/zinc/06/07/55/173060755.db2.gz HGWUVVAVXNNSJJ-UHFFFAOYSA-N 2 1 254.377 3.024 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408283 173185495 /nfs/dbraw/zinc/18/54/95/173185495.db2.gz CYZKYQUXDSAXEG-OAHLLOKOSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408283 173185497 /nfs/dbraw/zinc/18/54/97/173185497.db2.gz CYZKYQUXDSAXEG-OAHLLOKOSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000513660326 287287183 /nfs/dbraw/zinc/28/71/83/287287183.db2.gz HKPDZGCRLWCSRX-UUAJXVIYSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2cccc(C)c2)CC1 ZINC000040500906 174296833 /nfs/dbraw/zinc/29/68/33/174296833.db2.gz ZLVLXYRUXZPSQQ-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000040746553 174391731 /nfs/dbraw/zinc/39/17/31/174391731.db2.gz FAOZSOIRGGVGFL-SJPCQFCGSA-N 2 1 272.436 3.327 20 0 CGADMP Clc1ccc2c(NC[C@H]3CCC[NH2+]C3)cc[nH+]c2c1 ZINC000044502803 175186144 /nfs/dbraw/zinc/18/61/44/175186144.db2.gz KCIZJWRVHBZNEP-NSHDSACASA-N 2 1 275.783 3.300 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000128002717 287301228 /nfs/dbraw/zinc/30/12/28/287301228.db2.gz ZGGVEQQEXUGJNU-MRXNPFEDSA-N 2 1 264.388 3.135 20 0 CGADMP CCC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000127992575 287300885 /nfs/dbraw/zinc/30/08/85/287300885.db2.gz NJJKBNRWZKDJIR-BHUNQDJPSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071141914 176040479 /nfs/dbraw/zinc/04/04/79/176040479.db2.gz CYNLIKOOZBVVOI-IUODEOHRSA-N 2 1 266.816 3.332 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071141914 176040481 /nfs/dbraw/zinc/04/04/81/176040481.db2.gz CYNLIKOOZBVVOI-IUODEOHRSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000129363228 287329680 /nfs/dbraw/zinc/32/96/80/287329680.db2.gz OZLWGDRHJNPZLO-RWMBFGLXSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000311145326 416532118 /nfs/dbraw/zinc/53/21/18/416532118.db2.gz URNFPDVWKMWBAN-CZUORRHYSA-N 2 1 250.430 3.172 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC2CCC1CC2 ZINC000400174461 416544732 /nfs/dbraw/zinc/54/47/32/416544732.db2.gz OYRWNITZXFXWHD-SWHNLWLKSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2sccc2Cl)[C@@H]1CC[NH3+] ZINC000404306964 416552734 /nfs/dbraw/zinc/55/27/34/416552734.db2.gz SOJRCUXHVDYFBI-CMPLNLGQSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2sccc2Cl)[C@@H]1CC[NH3+] ZINC000404306964 416552737 /nfs/dbraw/zinc/55/27/37/416552737.db2.gz SOJRCUXHVDYFBI-CMPLNLGQSA-N 2 1 272.845 3.351 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404403295 416553521 /nfs/dbraw/zinc/55/35/21/416553521.db2.gz SOFIWBUKWJYHNF-CJNGLKHVSA-N 2 1 264.388 3.083 20 0 CGADMP C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)[C@H]1CC[NH3+] ZINC000404395418 416554640 /nfs/dbraw/zinc/55/46/40/416554640.db2.gz OFFQBWJDFHFRPD-MIUTZJKYSA-N 2 1 258.409 3.149 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000404437955 416555077 /nfs/dbraw/zinc/55/50/77/416555077.db2.gz SHSPPOSRBLSNGX-RDTXWAMCSA-N 2 1 299.418 3.291 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1C1CC1 ZINC000133349503 416517293 /nfs/dbraw/zinc/51/72/93/416517293.db2.gz KPRZGYFSKPMOOP-KRWDZBQOSA-N 2 1 260.425 3.369 20 0 CGADMP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000130215874 287347444 /nfs/dbraw/zinc/34/74/44/287347444.db2.gz VWWYOBPQKZLHPE-MWDXBVQZSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc2cccnc12 ZINC000680117935 543686288 /nfs/dbraw/zinc/68/62/88/543686288.db2.gz XMBCITAPVMGJSJ-MRXNPFEDSA-N 2 1 297.446 3.363 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1C ZINC000679721564 543657473 /nfs/dbraw/zinc/65/74/73/543657473.db2.gz OSGLLTBJZQFTFW-FZCLSBEQSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+]CCCOC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401014 543708595 /nfs/dbraw/zinc/70/85/95/543708595.db2.gz ANUKUVAQHXQANC-CVEARBPZSA-N 2 1 296.499 3.434 20 0 CGADMP Oc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000682028666 543817317 /nfs/dbraw/zinc/81/73/17/543817317.db2.gz AQUQEXHPNMDUAR-GOSISDBHSA-N 2 1 288.435 3.405 20 0 CGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000683019998 543890491 /nfs/dbraw/zinc/89/04/91/543890491.db2.gz ZBIPPRYGMIIGCT-AWEZNQCLSA-N 2 1 291.345 3.268 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000683141750 543898552 /nfs/dbraw/zinc/89/85/52/543898552.db2.gz NVNQZGRDDFWJIR-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000683141750 543898554 /nfs/dbraw/zinc/89/85/54/543898554.db2.gz NVNQZGRDDFWJIR-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683766743 543940068 /nfs/dbraw/zinc/94/00/68/543940068.db2.gz HQQWQAGRVMPLIM-INIZCTEOSA-N 2 1 283.419 3.056 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc32)CC1 ZINC000683789058 543943053 /nfs/dbraw/zinc/94/30/53/543943053.db2.gz WDNFWZLBAPMVOP-WBVHZDCISA-N 2 1 258.409 3.090 20 0 CGADMP CC1(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000683829372 543944918 /nfs/dbraw/zinc/94/49/18/543944918.db2.gz BIGINBRFZLPAFA-MRXNPFEDSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3cnccc3c2)CC1 ZINC000683839202 543947519 /nfs/dbraw/zinc/94/75/19/543947519.db2.gz RJVLMEBOKLLGBQ-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000684369932 543987284 /nfs/dbraw/zinc/98/72/84/543987284.db2.gz FGCMYTHJSFDTST-BBWFWOEESA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCOc2ccccc21 ZINC000685462712 544075006 /nfs/dbraw/zinc/07/50/06/544075006.db2.gz PWYBQIOAPLXPEK-INIZCTEOSA-N 2 1 290.451 3.216 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1C1CC1 ZINC000685470468 544077676 /nfs/dbraw/zinc/07/76/76/544077676.db2.gz SSFVRIKGMXLRIO-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1C1CC1 ZINC000685470468 544077679 /nfs/dbraw/zinc/07/76/79/544077679.db2.gz SSFVRIKGMXLRIO-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1C1CC1 ZINC000685470468 544077681 /nfs/dbraw/zinc/07/76/81/544077681.db2.gz SSFVRIKGMXLRIO-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1C1CC1 ZINC000685470468 544077683 /nfs/dbraw/zinc/07/76/83/544077683.db2.gz SSFVRIKGMXLRIO-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3cnccc3c2)C1 ZINC000685470836 544078471 /nfs/dbraw/zinc/07/84/71/544078471.db2.gz VBDQRDPAEMSPLC-OALUTQOASA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470836 544078473 /nfs/dbraw/zinc/07/84/73/544078473.db2.gz VBDQRDPAEMSPLC-OALUTQOASA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470836 544078475 /nfs/dbraw/zinc/07/84/75/544078475.db2.gz VBDQRDPAEMSPLC-OALUTQOASA-N 2 1 295.430 3.151 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000684956751 544044086 /nfs/dbraw/zinc/04/40/86/544044086.db2.gz JAIOGCMEELELDL-MRXNPFEDSA-N 2 1 284.407 3.034 20 0 CGADMP C[C@@H]1C[C@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)CC[N@H+]1C ZINC000684963148 544047246 /nfs/dbraw/zinc/04/72/46/544047246.db2.gz KVYYHDXCZJUOEA-IUODEOHRSA-N 2 1 295.858 3.296 20 0 CGADMP CC[C@@H](OCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000650742006 418935899 /nfs/dbraw/zinc/93/58/99/418935899.db2.gz PLWZLFSICYYDNW-OKZBNKHCSA-N 2 1 290.451 3.275 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccccn1 ZINC000652222285 418936771 /nfs/dbraw/zinc/93/67/71/418936771.db2.gz JOCBJFUBHBXRRE-MRXNPFEDSA-N 2 1 277.456 3.490 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccccn1 ZINC000652222285 418936775 /nfs/dbraw/zinc/93/67/75/418936775.db2.gz JOCBJFUBHBXRRE-MRXNPFEDSA-N 2 1 277.456 3.490 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000652222734 418938440 /nfs/dbraw/zinc/93/84/40/418938440.db2.gz WFVBJWILSBAHRA-HNNXBMFYSA-N 2 1 263.429 3.019 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000652222734 418938443 /nfs/dbraw/zinc/93/84/43/418938443.db2.gz WFVBJWILSBAHRA-HNNXBMFYSA-N 2 1 263.429 3.019 20 0 CGADMP C[N@@H+](CCCc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337046 418954294 /nfs/dbraw/zinc/95/42/94/418954294.db2.gz CSAVOQVNJUGDTJ-UHFFFAOYSA-N 2 1 294.442 3.397 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)C2CC2)C1 ZINC000653565599 419049674 /nfs/dbraw/zinc/04/96/74/419049674.db2.gz VAXQQEHTGOGXPL-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653565599 419049678 /nfs/dbraw/zinc/04/96/78/419049678.db2.gz VAXQQEHTGOGXPL-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653565599 419049681 /nfs/dbraw/zinc/04/96/81/419049681.db2.gz VAXQQEHTGOGXPL-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCC1 ZINC000659945147 419042392 /nfs/dbraw/zinc/04/23/92/419042392.db2.gz SIEUBDITDSISOK-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP Cc1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)co1 ZINC000660121124 419081672 /nfs/dbraw/zinc/08/16/72/419081672.db2.gz LKUBVDZSLHHDOE-UHFFFAOYSA-N 2 1 291.439 3.071 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(Br)c1 ZINC000665250368 419091698 /nfs/dbraw/zinc/09/16/98/419091698.db2.gz PEWBRCUJPLBQLN-LLVKDONJSA-N 2 1 297.240 3.371 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CCCC1 ZINC000665248407 419092118 /nfs/dbraw/zinc/09/21/18/419092118.db2.gz WMWCJQLTEPCZSX-CQSZACIVSA-N 2 1 294.826 3.415 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249817 419092261 /nfs/dbraw/zinc/09/22/61/419092261.db2.gz ZWABMHIAJOZJHY-LLVKDONJSA-N 2 1 281.469 3.497 20 0 CGADMP CC(C)N1CCCC[C@H]1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665290078 419106419 /nfs/dbraw/zinc/10/64/19/419106419.db2.gz IMOZTMPTSUKMML-IRXDYDNUSA-N 2 1 264.457 3.371 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccccc1C)C1CCCC1 ZINC000665297686 419110206 /nfs/dbraw/zinc/11/02/06/419110206.db2.gz JUUUQCWONQNPGC-WMLDXEAASA-N 2 1 260.425 3.424 20 0 CGADMP C[C@@H]([NH2+]CCC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257485 419114067 /nfs/dbraw/zinc/11/40/67/419114067.db2.gz UIGXXRBZOBQZEA-GDBMZVCRSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)CCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655708339 419072888 /nfs/dbraw/zinc/07/28/88/419072888.db2.gz HLXMNNNZHRQDLR-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000660078279 419073234 /nfs/dbraw/zinc/07/32/34/419073234.db2.gz TYHJKCMUWRCBNI-NEPJUHHUSA-N 2 1 271.355 3.271 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000660638776 419172667 /nfs/dbraw/zinc/17/26/67/419172667.db2.gz CXQVSAUNLBQYAB-UKRRQHHQSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000660638776 419172669 /nfs/dbraw/zinc/17/26/69/419172669.db2.gz CXQVSAUNLBQYAB-UKRRQHHQSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000660638776 419172671 /nfs/dbraw/zinc/17/26/71/419172671.db2.gz CXQVSAUNLBQYAB-UKRRQHHQSA-N 2 1 274.399 3.086 20 0 CGADMP Nc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660675724 419180808 /nfs/dbraw/zinc/18/08/08/419180808.db2.gz LJCQYOFQNCFCRX-UHFFFAOYSA-N 2 1 295.430 3.023 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC1(C)C ZINC000666093465 419189116 /nfs/dbraw/zinc/18/91/16/419189116.db2.gz GTPZEXKUDHFPOI-IRXDYDNUSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)Oc1ccccc1[C@@H](C)NCc1cnc2n1CCC2 ZINC000657314490 419248854 /nfs/dbraw/zinc/24/88/54/419248854.db2.gz WOAMBZANRGHFNR-CQSZACIVSA-N 2 1 299.418 3.467 20 0 CGADMP COCc1csc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000657334345 419252535 /nfs/dbraw/zinc/25/25/35/419252535.db2.gz WTAFTKGXIWXZND-UHFFFAOYSA-N 2 1 294.464 3.001 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435148 419259580 /nfs/dbraw/zinc/25/95/80/419259580.db2.gz NFGNFTZHYPVFHI-INIZCTEOSA-N 2 1 285.391 3.402 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435148 419259583 /nfs/dbraw/zinc/25/95/83/419259583.db2.gz NFGNFTZHYPVFHI-INIZCTEOSA-N 2 1 285.391 3.402 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071576 228004939 /nfs/dbraw/zinc/00/49/39/228004939.db2.gz SURZNAWGKGEFMJ-LAVFITLUSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071576 228004940 /nfs/dbraw/zinc/00/49/40/228004940.db2.gz SURZNAWGKGEFMJ-LAVFITLUSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071576 228004942 /nfs/dbraw/zinc/00/49/42/228004942.db2.gz SURZNAWGKGEFMJ-LAVFITLUSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071576 228004944 /nfs/dbraw/zinc/00/49/44/228004944.db2.gz SURZNAWGKGEFMJ-LAVFITLUSA-N 2 1 272.436 3.062 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662320790 419390394 /nfs/dbraw/zinc/39/03/94/419390394.db2.gz DREXXFGPHGMIJV-RDJZCZTQSA-N 2 1 264.457 3.278 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000657870779 419395779 /nfs/dbraw/zinc/39/57/79/419395779.db2.gz FXUBLEXWEVWMGV-QWHCGFSZSA-N 2 1 276.415 3.376 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662242516 419368588 /nfs/dbraw/zinc/36/85/88/419368588.db2.gz AMQJNEAXGOQMKL-IDCNUPLLSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000662243178 419369517 /nfs/dbraw/zinc/36/95/17/419369517.db2.gz GJYZJWJIAWDZRN-FZMZJTMJSA-N 2 1 284.856 3.101 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000662266740 419375796 /nfs/dbraw/zinc/37/57/96/419375796.db2.gz OMBDYTIYSSEZFW-ZDUSSCGKSA-N 2 1 270.367 3.129 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000662266740 419375798 /nfs/dbraw/zinc/37/57/98/419375798.db2.gz OMBDYTIYSSEZFW-ZDUSSCGKSA-N 2 1 270.367 3.129 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCSc1cccc(Cl)c1 ZINC000662275518 419381966 /nfs/dbraw/zinc/38/19/66/419381966.db2.gz BRJHTCNAKYEVBV-ZDUSSCGKSA-N 2 1 286.872 3.395 20 0 CGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293182 419384384 /nfs/dbraw/zinc/38/43/84/419384384.db2.gz PYMPMTUWRPIMLD-JTQLQIEISA-N 2 1 290.329 3.315 20 0 CGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293182 419384390 /nfs/dbraw/zinc/38/43/90/419384390.db2.gz PYMPMTUWRPIMLD-JTQLQIEISA-N 2 1 290.329 3.315 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293961 419385960 /nfs/dbraw/zinc/38/59/60/419385960.db2.gz YKVMUXYPOBBOOC-JTQLQIEISA-N 2 1 285.229 3.179 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293961 419385962 /nfs/dbraw/zinc/38/59/62/419385962.db2.gz YKVMUXYPOBBOOC-JTQLQIEISA-N 2 1 285.229 3.179 20 0 CGADMP CCOC1CCC([NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000657847712 419386723 /nfs/dbraw/zinc/38/67/23/419386723.db2.gz FDEUGODHCBRJPQ-HYLCPLCXSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000657983075 419477344 /nfs/dbraw/zinc/47/73/44/419477344.db2.gz RAHRRKWLVSVBSY-OAHLLOKOSA-N 2 1 291.826 3.227 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658044089 419520333 /nfs/dbraw/zinc/52/03/33/419520333.db2.gz VPKINRVQJNJBGQ-CQSZACIVSA-N 2 1 289.423 3.456 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658044089 419520340 /nfs/dbraw/zinc/52/03/40/419520340.db2.gz VPKINRVQJNJBGQ-CQSZACIVSA-N 2 1 289.423 3.456 20 0 CGADMP c1cc2c(cccc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000663345314 419569058 /nfs/dbraw/zinc/56/90/58/419569058.db2.gz IEEIXEOMJKAWKM-MRXNPFEDSA-N 2 1 297.446 3.380 20 0 CGADMP Fc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346769 419566510 /nfs/dbraw/zinc/56/65/10/419566510.db2.gz NUHVPGFXQFDGIK-MRXNPFEDSA-N 2 1 276.399 3.037 20 0 CGADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C(C)(C)C(F)F ZINC000658031088 419508721 /nfs/dbraw/zinc/50/87/21/419508721.db2.gz JDGIQPAOFFPONE-NSHDSACASA-N 2 1 262.388 3.130 20 0 CGADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C(C)(C)C(F)F ZINC000658031088 419508726 /nfs/dbraw/zinc/50/87/26/419508726.db2.gz JDGIQPAOFFPONE-NSHDSACASA-N 2 1 262.388 3.130 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)C(F)F ZINC000658032036 419508802 /nfs/dbraw/zinc/50/88/02/419508802.db2.gz OPMHBOAFEHUWFE-NSHDSACASA-N 2 1 262.388 3.130 20 0 CGADMP Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347177 419567135 /nfs/dbraw/zinc/56/71/35/419567135.db2.gz ZYSZFKRUOSFENH-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347177 419567144 /nfs/dbraw/zinc/56/71/44/419567144.db2.gz ZYSZFKRUOSFENH-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP C([NH2+]C1CCCCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347514 419569900 /nfs/dbraw/zinc/56/99/00/419569900.db2.gz MVQNKPLZHIIONH-INIZCTEOSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466244 419616463 /nfs/dbraw/zinc/61/64/63/419616463.db2.gz PWRYRHYQUKRUPP-OCCSQVGLSA-N 2 1 292.389 3.429 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCC1 ZINC000663466513 419622868 /nfs/dbraw/zinc/62/28/68/419622868.db2.gz UYAAFGLDXNMZMP-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000658228181 419684174 /nfs/dbraw/zinc/68/41/74/419684174.db2.gz GYWSDTLTCDYRID-GDBMZVCRSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000658228181 419684182 /nfs/dbraw/zinc/68/41/82/419684182.db2.gz GYWSDTLTCDYRID-GDBMZVCRSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccccc2)CCC1 ZINC000179449383 260048600 /nfs/dbraw/zinc/04/86/00/260048600.db2.gz HRJJIGSWDHRTBE-INIZCTEOSA-N 2 1 258.409 3.140 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1(C)C ZINC000085379113 260203224 /nfs/dbraw/zinc/20/32/24/260203224.db2.gz VICQQYUMOPJCEA-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000221720674 262292721 /nfs/dbraw/zinc/29/27/21/262292721.db2.gz IUHGICLPCOYWAR-GRDNDAEWSA-N 2 1 260.425 3.382 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000221827487 262301199 /nfs/dbraw/zinc/30/11/99/262301199.db2.gz VJAJRBYWZUAOSP-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000390806836 262347853 /nfs/dbraw/zinc/34/78/53/262347853.db2.gz LBULGJHDVUMPCD-FZCLSBEQSA-N 2 1 272.436 3.143 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997027 270028491 /nfs/dbraw/zinc/02/84/91/270028491.db2.gz OCXXZHFVXSMTEP-LRMJVLKBSA-N 2 1 284.447 3.457 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997027 270028493 /nfs/dbraw/zinc/02/84/93/270028493.db2.gz OCXXZHFVXSMTEP-LRMJVLKBSA-N 2 1 284.447 3.457 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535597 270036139 /nfs/dbraw/zinc/03/61/39/270036139.db2.gz VENNCFXHOZABQN-GOEBONIOSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000184289011 270058131 /nfs/dbraw/zinc/05/81/31/270058131.db2.gz SBSZRALWLCDIHI-HOTGVXAUSA-N 2 1 275.440 3.163 20 0 CGADMP CC/C=C/CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184578603 270058914 /nfs/dbraw/zinc/05/89/14/270058914.db2.gz NRRYHTGSLDBEFO-CWDCEQMOSA-N 2 1 250.430 3.151 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CCc1nccs1)C(C)C ZINC000191816232 270076228 /nfs/dbraw/zinc/07/62/28/270076228.db2.gz TXIMARUFMMLXHO-UHFFFAOYSA-N 2 1 283.485 3.128 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CCc1nccs1)C(C)C ZINC000191816232 270076229 /nfs/dbraw/zinc/07/62/29/270076229.db2.gz TXIMARUFMMLXHO-UHFFFAOYSA-N 2 1 283.485 3.128 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000237507650 270090440 /nfs/dbraw/zinc/09/04/40/270090440.db2.gz CPGQEMIVTXQYCV-MJBXVCDLSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000237507650 270090441 /nfs/dbraw/zinc/09/04/41/270090441.db2.gz CPGQEMIVTXQYCV-MJBXVCDLSA-N 2 1 252.446 3.131 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)CC(C)(C)C ZINC000314652770 270092534 /nfs/dbraw/zinc/09/25/34/270092534.db2.gz HHZXWJGNPUOHCX-UHFFFAOYSA-N 2 1 251.418 3.157 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000322834530 270094274 /nfs/dbraw/zinc/09/42/74/270094274.db2.gz HPYSDEHNBJXJPC-NPYXIHBLSA-N 2 1 276.399 3.492 20 0 CGADMP CCS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459447954 270096302 /nfs/dbraw/zinc/09/63/02/270096302.db2.gz VPCSOKMNKORQGQ-ZBFHGGJFSA-N 2 1 282.497 3.267 20 0 CGADMP CC(C)CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527355970 270127445 /nfs/dbraw/zinc/12/74/45/270127445.db2.gz FASIIQIROLNXDC-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527845121 270139244 /nfs/dbraw/zinc/13/92/44/270139244.db2.gz BXDYLXGDPJKNIU-BDJLRTHQSA-N 2 1 296.817 3.398 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527855914 270140017 /nfs/dbraw/zinc/14/00/17/270140017.db2.gz XBDKFFDBNUHQTK-ILXRZTDVSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527855914 270140018 /nfs/dbraw/zinc/14/00/18/270140018.db2.gz XBDKFFDBNUHQTK-ILXRZTDVSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527904700 270143384 /nfs/dbraw/zinc/14/33/84/270143384.db2.gz PUIDJVKAGNFWGV-HRCADAONSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC23CC(C2)CO3)cc1 ZINC000527986117 270148438 /nfs/dbraw/zinc/14/84/38/270148438.db2.gz VUBSGQVLEHIGQX-UQHVZDHRSA-N 2 1 297.402 3.010 20 0 CGADMP c1ccc([C@H]([NH2+]CCC[NH+]2CCCCC2)C2CCC2)nc1 ZINC000528657362 270169552 /nfs/dbraw/zinc/16/95/52/270169552.db2.gz IMDGTEOATRPZTI-GOSISDBHSA-N 2 1 287.451 3.388 20 0 CGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CC(F)(F)C1 ZINC000529531929 270182911 /nfs/dbraw/zinc/18/29/11/270182911.db2.gz MSOMBTIIWLJCKC-GFCCVEGCSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CC(F)(F)C1 ZINC000529531929 270182912 /nfs/dbraw/zinc/18/29/12/270182912.db2.gz MSOMBTIIWLJCKC-GFCCVEGCSA-N 2 1 274.399 3.274 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2cc[nH]c2c1 ZINC000529558974 270184548 /nfs/dbraw/zinc/18/45/48/270184548.db2.gz VMDMNQYSPWFKIW-UHFFFAOYSA-N 2 1 271.408 3.086 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2cc[nH]c2c1 ZINC000529558974 270184549 /nfs/dbraw/zinc/18/45/49/270184549.db2.gz VMDMNQYSPWFKIW-UHFFFAOYSA-N 2 1 271.408 3.086 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(C)(C)c1ccccc1 ZINC000530218239 270196074 /nfs/dbraw/zinc/19/60/74/270196074.db2.gz IIQSETFXHYWHKR-HOCLYGCPSA-N 2 1 272.436 3.227 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000530233566 270196778 /nfs/dbraw/zinc/19/67/78/270196778.db2.gz XCSSMFBFIGHAOT-INIZCTEOSA-N 2 1 290.451 3.297 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCc1c[nH+]cn1C ZINC000530354904 270199276 /nfs/dbraw/zinc/19/92/76/270199276.db2.gz DTOBSJCPFAJTIS-NSHDSACASA-N 2 1 297.855 3.288 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000530666034 270201826 /nfs/dbraw/zinc/20/18/26/270201826.db2.gz RQTTVDHXMFUDOW-VSZNYVQBSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000530666034 270201827 /nfs/dbraw/zinc/20/18/27/270201827.db2.gz RQTTVDHXMFUDOW-VSZNYVQBSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000530666034 270201828 /nfs/dbraw/zinc/20/18/28/270201828.db2.gz RQTTVDHXMFUDOW-VSZNYVQBSA-N 2 1 296.499 3.386 20 0 CGADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517589 270200698 /nfs/dbraw/zinc/20/06/98/270200698.db2.gz DEGXIAXWMAGFKY-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517589 270200699 /nfs/dbraw/zinc/20/06/99/270200699.db2.gz DEGXIAXWMAGFKY-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517589 270200700 /nfs/dbraw/zinc/20/07/00/270200700.db2.gz DEGXIAXWMAGFKY-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000531753200 270209328 /nfs/dbraw/zinc/20/93/28/270209328.db2.gz ZEJZGYJNEDNYRO-BBWFWOEESA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000532299709 270214887 /nfs/dbraw/zinc/21/48/87/270214887.db2.gz VPDWLVIWVIDQTN-GFCCVEGCSA-N 2 1 275.421 3.439 20 0 CGADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000532299709 270214888 /nfs/dbraw/zinc/21/48/88/270214888.db2.gz VPDWLVIWVIDQTN-GFCCVEGCSA-N 2 1 275.421 3.439 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000475348631 273641974 /nfs/dbraw/zinc/64/19/74/273641974.db2.gz FKANFEHATCIWCT-CYGHRXIMSA-N 2 1 274.452 3.499 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CCS2 ZINC000293364290 274136594 /nfs/dbraw/zinc/13/65/94/274136594.db2.gz HOVJTPVIAFHXDF-SWLSCSKDSA-N 2 1 294.464 3.019 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000248830370 287786335 /nfs/dbraw/zinc/78/63/35/287786335.db2.gz HHICHKGCXGAWBL-GUTXKFCHSA-N 2 1 262.397 3.119 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278896550 274778540 /nfs/dbraw/zinc/77/85/40/274778540.db2.gz FHOUIQVVYGVKAR-CRAIPNDOSA-N 2 1 295.430 3.421 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423202059 275069283 /nfs/dbraw/zinc/06/92/83/275069283.db2.gz AJKBWBQWRVLMAG-CQSZACIVSA-N 2 1 278.399 3.346 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000449593445 275069531 /nfs/dbraw/zinc/06/95/31/275069531.db2.gz PETWNJZVDPUOCT-RTBURBONSA-N 2 1 284.447 3.150 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCOC1 ZINC000437606878 275391606 /nfs/dbraw/zinc/39/16/06/275391606.db2.gz VREFKVZKSZFIMV-MSOLQXFVSA-N 2 1 294.483 3.001 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)C1CCSCC1)[NH+]1CCCC1 ZINC000186982226 275700539 /nfs/dbraw/zinc/70/05/39/275700539.db2.gz AAZIPMUHRMZUHA-ZBFHGGJFSA-N 2 1 284.513 3.228 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000344763545 276105768 /nfs/dbraw/zinc/10/57/68/276105768.db2.gz FVDZZPDMHWIIKY-DZGCQCFKSA-N 2 1 281.469 3.133 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000037996444 276151746 /nfs/dbraw/zinc/15/17/46/276151746.db2.gz DVKKAOZQJWVHSA-OAHLLOKOSA-N 2 1 260.425 3.438 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328110 276212194 /nfs/dbraw/zinc/21/21/94/276212194.db2.gz IODIIDLQTLMMKW-GXTWGEPZSA-N 2 1 264.438 3.057 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000037644041 276221701 /nfs/dbraw/zinc/22/17/01/276221701.db2.gz HEJDPAZYIKFLFZ-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000295906346 276221808 /nfs/dbraw/zinc/22/18/08/276221808.db2.gz IYGNNWSWQOEUID-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246785971 276221848 /nfs/dbraw/zinc/22/18/48/276221848.db2.gz CNUPZQPIQLNKAS-UPJWGTAASA-N 2 1 278.362 3.039 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000449379771 276229782 /nfs/dbraw/zinc/22/97/82/276229782.db2.gz UOSRPZPTVGWTLQ-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000353987056 276262357 /nfs/dbraw/zinc/26/23/57/276262357.db2.gz MPSMPQOWXHOEAO-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000353987056 276262358 /nfs/dbraw/zinc/26/23/58/276262358.db2.gz MPSMPQOWXHOEAO-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000429798637 276399633 /nfs/dbraw/zinc/39/96/33/276399633.db2.gz JVCRQPBCGVRUQW-XLAORIBOSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000429798637 276399634 /nfs/dbraw/zinc/39/96/34/276399634.db2.gz JVCRQPBCGVRUQW-XLAORIBOSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000429798637 276399635 /nfs/dbraw/zinc/39/96/35/276399635.db2.gz JVCRQPBCGVRUQW-XLAORIBOSA-N 2 1 296.499 3.244 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CCC12CCCC2)[NH+]1CCCC1 ZINC000189060954 276569139 /nfs/dbraw/zinc/56/91/39/276569139.db2.gz UHIHXCXTQQSQEV-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+]([C@@H]1CC[C@](C)(c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000414651690 277001704 /nfs/dbraw/zinc/00/17/04/277001704.db2.gz FVTSUUFRCHDSOZ-MSOLQXFVSA-N 2 1 272.436 3.181 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000089428131 277060300 /nfs/dbraw/zinc/06/03/00/277060300.db2.gz HFARAUQJVGFUDC-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000089428131 277060301 /nfs/dbraw/zinc/06/03/01/277060301.db2.gz HFARAUQJVGFUDC-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000089428131 277060302 /nfs/dbraw/zinc/06/03/02/277060302.db2.gz HFARAUQJVGFUDC-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccccc1 ZINC000246669090 277060689 /nfs/dbraw/zinc/06/06/89/277060689.db2.gz FHLXFZMBOVDLIX-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000246669090 277060690 /nfs/dbraw/zinc/06/06/90/277060690.db2.gz FHLXFZMBOVDLIX-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000246669090 277060691 /nfs/dbraw/zinc/06/06/91/277060691.db2.gz FHLXFZMBOVDLIX-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328217 277061236 /nfs/dbraw/zinc/06/12/36/277061236.db2.gz VBRRBYFAVOIPRF-UONOGXRCSA-N 2 1 294.389 3.238 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328217 277061238 /nfs/dbraw/zinc/06/12/38/277061238.db2.gz VBRRBYFAVOIPRF-UONOGXRCSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328217 277061240 /nfs/dbraw/zinc/06/12/40/277061240.db2.gz VBRRBYFAVOIPRF-UONOGXRCSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328217 277061242 /nfs/dbraw/zinc/06/12/42/277061242.db2.gz VBRRBYFAVOIPRF-UONOGXRCSA-N 2 1 294.389 3.238 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2C(C)(C)C1 ZINC000348301829 277061935 /nfs/dbraw/zinc/06/19/35/277061935.db2.gz JKTZWUDDPXWKLT-MRXNPFEDSA-N 2 1 272.436 3.264 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348301829 277061936 /nfs/dbraw/zinc/06/19/36/277061936.db2.gz JKTZWUDDPXWKLT-MRXNPFEDSA-N 2 1 272.436 3.264 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348301829 277061937 /nfs/dbraw/zinc/06/19/37/277061937.db2.gz JKTZWUDDPXWKLT-MRXNPFEDSA-N 2 1 272.436 3.264 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4ccsc43)C2)C1 ZINC000292890696 277072975 /nfs/dbraw/zinc/07/29/75/277072975.db2.gz VUBHFFKROJPPCZ-MRXNPFEDSA-N 2 1 287.432 3.218 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4ccsc43)C2)C1 ZINC000292890696 277072976 /nfs/dbraw/zinc/07/29/76/277072976.db2.gz VUBHFFKROJPPCZ-MRXNPFEDSA-N 2 1 287.432 3.218 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000414197360 277073449 /nfs/dbraw/zinc/07/34/49/277073449.db2.gz WHTCRDOXEVCLDW-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP CC(C)(C)C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000311163061 277132400 /nfs/dbraw/zinc/13/24/00/277132400.db2.gz MWLIJHKXHMSDQD-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000513698299 277170506 /nfs/dbraw/zinc/17/05/06/277170506.db2.gz YWOMYCVSAQOTBQ-YESZJQIVSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H]2CCC[C@@H]21 ZINC000361187035 277173618 /nfs/dbraw/zinc/17/36/18/277173618.db2.gz NSQARIBDZRRAPJ-ULQDDVLXSA-N 2 1 285.435 3.245 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H]2CCC[C@@H]21 ZINC000361187035 277173619 /nfs/dbraw/zinc/17/36/19/277173619.db2.gz NSQARIBDZRRAPJ-ULQDDVLXSA-N 2 1 285.435 3.245 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000090585829 277396957 /nfs/dbraw/zinc/39/69/57/277396957.db2.gz WILRGHAHZUSUHS-JKSUJKDBSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595214 277687980 /nfs/dbraw/zinc/68/79/80/277687980.db2.gz NEPFNRSIGOSSHP-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCC3)CCCC1 ZINC000394813590 288004236 /nfs/dbraw/zinc/00/42/36/288004236.db2.gz LYKCIRLTUNQVCZ-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C(C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CC1CCCCC1 ZINC000395178036 288006854 /nfs/dbraw/zinc/00/68/54/288006854.db2.gz PWTLRPUYJJNOPX-MRXNPFEDSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000397250860 288022126 /nfs/dbraw/zinc/02/21/26/288022126.db2.gz DERHPMJCNRKNRY-CPUCHLNUSA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000447398028 278219601 /nfs/dbraw/zinc/21/96/01/278219601.db2.gz REZAHMPGNUUYEA-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](C1CCCCC1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000447398028 278219604 /nfs/dbraw/zinc/21/96/04/278219604.db2.gz REZAHMPGNUUYEA-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](C1CCCCC1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000447398028 278219605 /nfs/dbraw/zinc/21/96/05/278219605.db2.gz REZAHMPGNUUYEA-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000397438512 288023814 /nfs/dbraw/zinc/02/38/14/288023814.db2.gz HMIDJXBOUXDRFE-YCPHGPKFSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000397438512 288023817 /nfs/dbraw/zinc/02/38/17/288023817.db2.gz HMIDJXBOUXDRFE-YCPHGPKFSA-N 2 1 299.418 3.147 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC1(C)C ZINC000397561279 288024371 /nfs/dbraw/zinc/02/43/71/288024371.db2.gz ARQIPDMHCQOHSJ-TUVASFSCSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@H]1CC1(C)C ZINC000397595854 288024622 /nfs/dbraw/zinc/02/46/22/288024622.db2.gz DJOWIGBMBXCHOV-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC1(C)C ZINC000397654227 288026399 /nfs/dbraw/zinc/02/63/99/288026399.db2.gz MMZRDERCUGUWOR-OIYCOIKZSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397654227 288026402 /nfs/dbraw/zinc/02/64/02/288026402.db2.gz MMZRDERCUGUWOR-OIYCOIKZSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@]1(C)CCCO1 ZINC000340469792 278257513 /nfs/dbraw/zinc/25/75/13/278257513.db2.gz LSIRANZQIHCTMS-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@H]1CC1(C)C ZINC000397789784 288030800 /nfs/dbraw/zinc/03/08/00/288030800.db2.gz ZDFRYRYNZRBERP-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CCC[C@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453597331 278351816 /nfs/dbraw/zinc/35/18/16/278351816.db2.gz NETXAEDPEIYQHR-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000157888032 288038949 /nfs/dbraw/zinc/03/89/49/288038949.db2.gz UEFMYAQYVXTLIX-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000422640472 278495060 /nfs/dbraw/zinc/49/50/60/278495060.db2.gz VPUAXJTXFZACQT-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000449388065 278982545 /nfs/dbraw/zinc/98/25/45/278982545.db2.gz ZAAPYLSOTACYJS-OKZBNKHCSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414698195 279004992 /nfs/dbraw/zinc/00/49/92/279004992.db2.gz IRHIRIGQCGPJTE-KONPQCLYSA-N 2 1 272.436 3.253 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000354106978 279036864 /nfs/dbraw/zinc/03/68/64/279036864.db2.gz NJTSQWWLXUBKDF-JQHSSLGASA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000354106978 279036865 /nfs/dbraw/zinc/03/68/65/279036865.db2.gz NJTSQWWLXUBKDF-JQHSSLGASA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000354106978 279036866 /nfs/dbraw/zinc/03/68/66/279036866.db2.gz NJTSQWWLXUBKDF-JQHSSLGASA-N 2 1 272.436 3.064 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC(C)CC2)C1 ZINC000093770765 279036951 /nfs/dbraw/zinc/03/69/51/279036951.db2.gz WZXRRQDXIYQNDP-GPANFISMSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000093770765 279036952 /nfs/dbraw/zinc/03/69/52/279036952.db2.gz WZXRRQDXIYQNDP-GPANFISMSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000093770765 279036953 /nfs/dbraw/zinc/03/69/53/279036953.db2.gz WZXRRQDXIYQNDP-GPANFISMSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000360856922 279258322 /nfs/dbraw/zinc/25/83/22/279258322.db2.gz IHFUGQXDDHDPLJ-OCCSQVGLSA-N 2 1 264.413 3.223 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000512674314 279306424 /nfs/dbraw/zinc/30/64/24/279306424.db2.gz VTSKYDMFYSFJNZ-JKSUJKDBSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414657225 279309917 /nfs/dbraw/zinc/30/99/17/279309917.db2.gz NZXNVRFARCXENW-BXUZGUMPSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414657225 279309918 /nfs/dbraw/zinc/30/99/18/279309918.db2.gz NZXNVRFARCXENW-BXUZGUMPSA-N 2 1 286.341 3.232 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449335334 279383187 /nfs/dbraw/zinc/38/31/87/279383187.db2.gz KYYHCHGEFDMVPC-STQMWFEESA-N 2 1 284.394 3.387 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449335334 279383188 /nfs/dbraw/zinc/38/31/88/279383188.db2.gz KYYHCHGEFDMVPC-STQMWFEESA-N 2 1 284.394 3.387 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)[C@H](C)C1 ZINC000527664996 288185550 /nfs/dbraw/zinc/18/55/50/288185550.db2.gz FCEKWUACJNIMTA-CHWSQXEVSA-N 2 1 276.415 3.378 20 0 CGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700009 280017155 /nfs/dbraw/zinc/01/71/55/280017155.db2.gz KBDZUGYFTKEGSK-DLTWYDFYSA-N 2 1 290.426 3.392 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000401585428 280261977 /nfs/dbraw/zinc/26/19/77/280261977.db2.gz MQONKJZPRVGMET-NCOADZHNSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)[NH+]1CCCC1 ZINC000434784947 280839135 /nfs/dbraw/zinc/83/91/35/280839135.db2.gz OIOGHXHSZDIUPC-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000488717129 281170901 /nfs/dbraw/zinc/17/09/01/281170901.db2.gz KGUIIWNGRLEPFF-SFHVURJKSA-N 2 1 281.403 3.075 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530407248 288305176 /nfs/dbraw/zinc/30/51/76/288305176.db2.gz IADFTNDTOVVJNM-PXAZEXFGSA-N 2 1 287.382 3.015 20 0 CGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000152651481 281304349 /nfs/dbraw/zinc/30/43/49/281304349.db2.gz BAGCEMFGRXPNLX-CZUORRHYSA-N 2 1 258.409 3.227 20 0 CGADMP Cc1ccccc1[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000271323416 281366335 /nfs/dbraw/zinc/36/63/35/281366335.db2.gz UEIWXTNLEFFOEM-IAGOWNOFSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000271323416 281366336 /nfs/dbraw/zinc/36/63/36/281366336.db2.gz UEIWXTNLEFFOEM-IAGOWNOFSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000271323416 281366337 /nfs/dbraw/zinc/36/63/37/281366337.db2.gz UEIWXTNLEFFOEM-IAGOWNOFSA-N 2 1 272.436 3.269 20 0 CGADMP CC[C@H]1C[C@@H](C[N@@H+](CCC[NH3+])CC2CCCC2)CCO1 ZINC000352525660 288340872 /nfs/dbraw/zinc/34/08/72/288340872.db2.gz HYIYGWLXMWDZPI-IRXDYDNUSA-N 2 1 282.472 3.033 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1(CC)CC ZINC000531995275 288349192 /nfs/dbraw/zinc/34/91/92/288349192.db2.gz LZDGOGJYLCQPPE-JZAWBGDQSA-N 2 1 296.499 3.289 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](CC)C1CCOCC1)[NH+](C)C ZINC000532458659 288362167 /nfs/dbraw/zinc/36/21/67/288362167.db2.gz IUFZSCWKTXJHSN-IRXDYDNUSA-N 2 1 284.488 3.148 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2CCCF)CCCC1 ZINC000510660619 282045844 /nfs/dbraw/zinc/04/58/44/282045844.db2.gz DYEPQIGPSCJSSP-GJZGRUSLSA-N 2 1 270.436 3.369 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCc4ccccc4C3)C2)C1 ZINC000549839877 289055490 /nfs/dbraw/zinc/05/54/90/289055490.db2.gz BIIYQLJCSVWRRR-FXAWDEMLSA-N 2 1 298.474 3.209 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000550621113 289079114 /nfs/dbraw/zinc/07/91/14/289079114.db2.gz CLKWRFZJIMSLMC-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP CCC1CC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000551778763 289130732 /nfs/dbraw/zinc/13/07/32/289130732.db2.gz IKFJSQQHTHLZPG-JWMHWRSXSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000552038007 289152431 /nfs/dbraw/zinc/15/24/31/289152431.db2.gz AIPGPCZPXUANQN-BZSNNMDCSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552111347 289164331 /nfs/dbraw/zinc/16/43/31/289164331.db2.gz YOIMUVZVIRXQAM-HOCLYGCPSA-N 2 1 278.465 3.097 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552111347 289164332 /nfs/dbraw/zinc/16/43/32/289164332.db2.gz YOIMUVZVIRXQAM-HOCLYGCPSA-N 2 1 278.465 3.097 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552111347 289164333 /nfs/dbraw/zinc/16/43/33/289164333.db2.gz YOIMUVZVIRXQAM-HOCLYGCPSA-N 2 1 278.465 3.097 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552275124 289177040 /nfs/dbraw/zinc/17/70/40/289177040.db2.gz LVZKRBGXSBUFGX-JYJNAYRXSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000554113026 289260286 /nfs/dbraw/zinc/26/02/86/289260286.db2.gz QWUFDXDSZPYYEE-PAYONLEZSA-N 2 1 276.468 3.418 20 0 CGADMP Cc1ccc2c(C)cc(NC3CC[NH+](C4CC4)CC3)[nH+]c2c1 ZINC000561379615 289637062 /nfs/dbraw/zinc/63/70/62/289637062.db2.gz WRTHPRYGOUCIAV-UHFFFAOYSA-N 2 1 295.430 3.312 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252838701 290233406 /nfs/dbraw/zinc/23/34/06/290233406.db2.gz ANSOGXUAMWMEAC-AZLWOZFGSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000333630651 290279843 /nfs/dbraw/zinc/27/98/43/290279843.db2.gz VRERSWYJQBDZIU-FRRDWIJNSA-N 2 1 292.427 3.122 20 0 CGADMP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000333630651 290279844 /nfs/dbraw/zinc/27/98/44/290279844.db2.gz VRERSWYJQBDZIU-FRRDWIJNSA-N 2 1 292.427 3.122 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344294493 290336180 /nfs/dbraw/zinc/33/61/80/290336180.db2.gz ITTZFDXHQJUKPO-ZFWWWQNUSA-N 2 1 250.430 3.053 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414701430 295388539 /nfs/dbraw/zinc/38/85/39/295388539.db2.gz WGPVTKBZRAAKED-VYDXJSESSA-N 2 1 288.435 3.220 20 0 CGADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCCO2 ZINC000335568132 301284075 /nfs/dbraw/zinc/28/40/75/301284075.db2.gz ONMINYJHQKLOQM-HNNXBMFYSA-N 2 1 294.826 3.204 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CCC2CCCCCC2)CC1 ZINC000394540099 329125456 /nfs/dbraw/zinc/12/54/56/329125456.db2.gz SNOJTORBPGZGNA-UHFFFAOYSA-N 2 1 250.430 3.198 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000153417378 321719650 /nfs/dbraw/zinc/71/96/50/321719650.db2.gz OJXFEOOOTCECBL-BZSNNMDCSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C\c1ccc(F)cc1F ZINC000564327312 322027972 /nfs/dbraw/zinc/02/79/72/322027972.db2.gz YOGZAKAGNHINPM-MERHEKELSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C\c1ccc(F)cc1F ZINC000564327312 322027973 /nfs/dbraw/zinc/02/79/73/322027973.db2.gz YOGZAKAGNHINPM-MERHEKELSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000564327312 322027975 /nfs/dbraw/zinc/02/79/75/322027975.db2.gz YOGZAKAGNHINPM-MERHEKELSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000564327312 322027977 /nfs/dbraw/zinc/02/79/77/322027977.db2.gz YOGZAKAGNHINPM-MERHEKELSA-N 2 1 294.389 3.250 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000564970265 322051938 /nfs/dbraw/zinc/05/19/38/322051938.db2.gz JLUFLGDUXZAPDK-KURKYZTESA-N 2 1 272.436 3.112 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000565871012 322094797 /nfs/dbraw/zinc/09/47/97/322094797.db2.gz XLEBSRFPTHDQAP-FAEJEUNOSA-N 2 1 272.436 3.038 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000566088017 322103575 /nfs/dbraw/zinc/10/35/75/322103575.db2.gz LKUYGJJYHKDRHI-LJQANCHMSA-N 2 1 298.430 3.374 20 0 CGADMP C[C@H](C1CC1)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000566351451 322117244 /nfs/dbraw/zinc/11/72/44/322117244.db2.gz IQETTZOJEMDUEG-CYBMUJFWSA-N 2 1 270.420 3.095 20 0 CGADMP C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566416368 322121341 /nfs/dbraw/zinc/12/13/41/322121341.db2.gz LEDXQDVHKCHBQD-WCQYABFASA-N 2 1 289.345 3.016 20 0 CGADMP C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000566416368 322121344 /nfs/dbraw/zinc/12/13/44/322121344.db2.gz LEDXQDVHKCHBQD-WCQYABFASA-N 2 1 289.345 3.016 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000567246184 322155825 /nfs/dbraw/zinc/15/58/25/322155825.db2.gz HZAHKSFHNIERJT-GFCCVEGCSA-N 2 1 289.345 3.016 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000567246184 322155827 /nfs/dbraw/zinc/15/58/27/322155827.db2.gz HZAHKSFHNIERJT-GFCCVEGCSA-N 2 1 289.345 3.016 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000567865139 322180532 /nfs/dbraw/zinc/18/05/32/322180532.db2.gz HGEIRAZQUKKIEW-SJLPKXTDSA-N 2 1 274.452 3.487 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000567865138 322180695 /nfs/dbraw/zinc/18/06/95/322180695.db2.gz HGEIRAZQUKKIEW-FUHWJXTLSA-N 2 1 274.452 3.487 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000567871474 322181269 /nfs/dbraw/zinc/18/12/69/322181269.db2.gz DCHCBOKRIKPUKU-MSOLQXFVSA-N 2 1 272.436 3.112 20 0 CGADMP [NH3+]C[C@@H](C[N@H+]1CCCc2ccccc2C1)c1ccc(F)cc1 ZINC000568382463 322206578 /nfs/dbraw/zinc/20/65/78/322206578.db2.gz RAOBCHYTCWZODH-SFHVURJKSA-N 2 1 298.405 3.316 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000570556241 322276489 /nfs/dbraw/zinc/27/64/89/322276489.db2.gz WXZGXQQWBYJBDZ-UOVPBQLFSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000570556241 322276490 /nfs/dbraw/zinc/27/64/90/322276490.db2.gz WXZGXQQWBYJBDZ-UOVPBQLFSA-N 2 1 274.452 3.497 20 0 CGADMP C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910223 322285217 /nfs/dbraw/zinc/28/52/17/322285217.db2.gz DKTIWRCRCJSCLM-FICVDOATSA-N 2 1 286.504 3.080 20 0 CGADMP C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910223 322285219 /nfs/dbraw/zinc/28/52/19/322285219.db2.gz DKTIWRCRCJSCLM-FICVDOATSA-N 2 1 286.504 3.080 20 0 CGADMP C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910223 322285220 /nfs/dbraw/zinc/28/52/20/322285220.db2.gz DKTIWRCRCJSCLM-FICVDOATSA-N 2 1 286.504 3.080 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000571823177 322308937 /nfs/dbraw/zinc/30/89/37/322308937.db2.gz AKHLOPGLDHIRSU-BVBGJJFLSA-N 2 1 288.435 3.028 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000571902883 322311506 /nfs/dbraw/zinc/31/15/06/322311506.db2.gz SFZJMARKXAIJQM-HOTGVXAUSA-N 2 1 250.430 3.195 20 0 CGADMP CC1=CC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000572503124 322340769 /nfs/dbraw/zinc/34/07/69/322340769.db2.gz IQTGIGPICSSHCM-BBWFWOEESA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000573487974 322390638 /nfs/dbraw/zinc/39/06/38/322390638.db2.gz MXRNYZZZLUGSLU-NEWSRXKRSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573487974 322390641 /nfs/dbraw/zinc/39/06/41/322390641.db2.gz MXRNYZZZLUGSLU-NEWSRXKRSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573487974 322390642 /nfs/dbraw/zinc/39/06/42/322390642.db2.gz MXRNYZZZLUGSLU-NEWSRXKRSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1cccc2ccccc21 ZINC000573621576 322398014 /nfs/dbraw/zinc/39/80/14/322398014.db2.gz DXFBZQTYADEKRA-RDJZCZTQSA-N 2 1 298.430 3.420 20 0 CGADMP C(CC1CCCCCC1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000394557132 329120560 /nfs/dbraw/zinc/12/05/60/329120560.db2.gz DBJWOTWGZDLJFI-MRXNPFEDSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000582725751 329131388 /nfs/dbraw/zinc/13/13/88/329131388.db2.gz ZRECUVWVBNIZGS-VHSXEESVSA-N 2 1 281.450 3.087 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnc3ccccc23)C1 ZINC000582741392 329134673 /nfs/dbraw/zinc/13/46/73/329134673.db2.gz GFBVFZWHEAMBDD-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C)CC ZINC000191506170 330144259 /nfs/dbraw/zinc/14/42/59/330144259.db2.gz ZPRJHMMWGQMGIR-AWEZNQCLSA-N 2 1 251.418 3.204 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C)CC ZINC000191506170 330144260 /nfs/dbraw/zinc/14/42/60/330144260.db2.gz ZPRJHMMWGQMGIR-AWEZNQCLSA-N 2 1 251.418 3.204 20 0 CGADMP Cc1c(Br)cccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424287498 533711003 /nfs/dbraw/zinc/71/10/03/533711003.db2.gz IWZDZVVBUICBPZ-ZIAGYGMSSA-N 2 1 297.240 3.117 20 0 CGADMP COc1cc(C[N@H+](C)CCC[NH+](C)C)cc2ccccc21 ZINC000576103471 335154193 /nfs/dbraw/zinc/15/41/93/335154193.db2.gz RENLMQBIEBFRAT-UHFFFAOYSA-N 2 1 286.419 3.232 20 0 CGADMP COc1cc(C[N@@H+](C)CCC[NH+](C)C)cc2ccccc21 ZINC000576103471 335154195 /nfs/dbraw/zinc/15/41/95/335154195.db2.gz RENLMQBIEBFRAT-UHFFFAOYSA-N 2 1 286.419 3.232 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)CCC1 ZINC000576719002 335239884 /nfs/dbraw/zinc/23/98/84/335239884.db2.gz MEMVKJWTXXACFW-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000576824324 335252372 /nfs/dbraw/zinc/25/23/72/335252372.db2.gz XFAIGJKGWPPNCJ-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc2cc[nH+]c(NCC3CC[NH+](C)CC3)c2c1 ZINC000580546995 335272848 /nfs/dbraw/zinc/27/28/48/335272848.db2.gz OTVKWRFTVZIOBM-UHFFFAOYSA-N 2 1 269.392 3.297 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000577114617 335302513 /nfs/dbraw/zinc/30/25/13/335302513.db2.gz IIUUCVYNSDKFTI-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2Cc3ccccc3C2)C[C@H]1C ZINC000581102683 336008349 /nfs/dbraw/zinc/00/83/49/336008349.db2.gz HQKINBMZJIKOLX-DNVCBOLYSA-N 2 1 286.463 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2Cc3ccccc3C2)C[C@H]1C ZINC000581102683 336008351 /nfs/dbraw/zinc/00/83/51/336008351.db2.gz HQKINBMZJIKOLX-DNVCBOLYSA-N 2 1 286.463 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2Cc3ccccc3C2)C[C@H]1C ZINC000581102683 336008353 /nfs/dbraw/zinc/00/83/53/336008353.db2.gz HQKINBMZJIKOLX-DNVCBOLYSA-N 2 1 286.463 3.206 20 0 CGADMP CCc1cccc(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000581195603 336023088 /nfs/dbraw/zinc/02/30/88/336023088.db2.gz QMWCRBZYAPIZQU-UHFFFAOYSA-N 2 1 271.408 3.324 20 0 CGADMP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000581248106 336031532 /nfs/dbraw/zinc/03/15/32/336031532.db2.gz MFBCWPJKKAGWOY-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000581248106 336031533 /nfs/dbraw/zinc/03/15/33/336031533.db2.gz MFBCWPJKKAGWOY-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCCC1 ZINC000381010652 336043914 /nfs/dbraw/zinc/04/39/14/336043914.db2.gz RLFFNVIBEIQBJH-RRFJBIMHSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000382168269 336083610 /nfs/dbraw/zinc/08/36/10/336083610.db2.gz VTNQRWGYVIDMTH-BNOWGMLFSA-N 2 1 252.427 3.272 20 0 CGADMP CC/C=C\C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000384839242 336132568 /nfs/dbraw/zinc/13/25/68/336132568.db2.gz INULRKCPERLTBK-CLTKARDFSA-N 2 1 258.409 3.207 20 0 CGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1F ZINC000581832808 336149729 /nfs/dbraw/zinc/14/97/29/336149729.db2.gz SVIUFNAPBISVLF-UHFFFAOYSA-N 2 1 289.398 3.402 20 0 CGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1F ZINC000581832808 336149730 /nfs/dbraw/zinc/14/97/30/336149730.db2.gz SVIUFNAPBISVLF-UHFFFAOYSA-N 2 1 289.398 3.402 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000385874563 336158423 /nfs/dbraw/zinc/15/84/23/336158423.db2.gz ZLRGGSYMTKABSS-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000385874563 336158424 /nfs/dbraw/zinc/15/84/24/336158424.db2.gz ZLRGGSYMTKABSS-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424297503 533787179 /nfs/dbraw/zinc/78/71/79/533787179.db2.gz SUQSSRWIIKXJLK-MRXNPFEDSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1cc(N)cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000414958459 533887352 /nfs/dbraw/zinc/88/73/52/533887352.db2.gz DDPDUMRNRRMAQL-OALUTQOASA-N 2 1 295.430 3.160 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423317788 533897545 /nfs/dbraw/zinc/89/75/45/533897545.db2.gz KPQGVOMRCRJKHM-SDBXPKJASA-N 2 1 273.207 3.381 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC000173748578 534163314 /nfs/dbraw/zinc/16/33/14/534163314.db2.gz DRPXSHYOKYJIBM-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000173748578 534163322 /nfs/dbraw/zinc/16/33/22/534163322.db2.gz DRPXSHYOKYJIBM-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000173748578 534163326 /nfs/dbraw/zinc/16/33/26/534163326.db2.gz DRPXSHYOKYJIBM-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000428058046 534214880 /nfs/dbraw/zinc/21/48/80/534214880.db2.gz XWJVCZZUZWYQFO-NVXWUHKLSA-N 2 1 290.476 3.079 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000428058046 534214883 /nfs/dbraw/zinc/21/48/83/534214883.db2.gz XWJVCZZUZWYQFO-NVXWUHKLSA-N 2 1 290.476 3.079 20 0 CGADMP Cc1occc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000414364834 534576194 /nfs/dbraw/zinc/57/61/94/534576194.db2.gz ZBOXIPXGKMNPPL-HNNXBMFYSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1occc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000414364834 534576196 /nfs/dbraw/zinc/57/61/96/534576196.db2.gz ZBOXIPXGKMNPPL-HNNXBMFYSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1occc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000414364835 534577829 /nfs/dbraw/zinc/57/78/29/534577829.db2.gz ZBOXIPXGKMNPPL-OAHLLOKOSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1occc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000414364835 534577834 /nfs/dbraw/zinc/57/78/34/534577834.db2.gz ZBOXIPXGKMNPPL-OAHLLOKOSA-N 2 1 264.413 3.046 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000037643977 521717965 /nfs/dbraw/zinc/71/79/65/521717965.db2.gz PFELLGLQWJVJTP-JKSUJKDBSA-N 2 1 290.451 3.466 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000290148711 522201752 /nfs/dbraw/zinc/20/17/52/522201752.db2.gz LDUWTYSIVMUGDS-BPQIPLTHSA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000290148711 522201760 /nfs/dbraw/zinc/20/17/60/522201760.db2.gz LDUWTYSIVMUGDS-BPQIPLTHSA-N 2 1 290.451 3.054 20 0 CGADMP Cc1cccc(CC[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000449008128 534690725 /nfs/dbraw/zinc/69/07/25/534690725.db2.gz HKNAEHARVXAOKA-UHFFFAOYSA-N 2 1 274.452 3.342 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000062657679 524312018 /nfs/dbraw/zinc/31/20/18/524312018.db2.gz WRMSSCKRSYGMOD-AWEZNQCLSA-N 2 1 260.425 3.168 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000062657679 524312028 /nfs/dbraw/zinc/31/20/28/524312028.db2.gz WRMSSCKRSYGMOD-AWEZNQCLSA-N 2 1 260.425 3.168 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Sc1ccccc1 ZINC000129694281 524497823 /nfs/dbraw/zinc/49/78/23/524497823.db2.gz ZIJCNFXZLPVXTE-RBSFLKMASA-N 2 1 278.465 3.240 20 0 CGADMP Cc1cccc(NCCCC[N@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000157107260 524673190 /nfs/dbraw/zinc/67/31/90/524673190.db2.gz FQVUQOWUXXQQSQ-CQSZACIVSA-N 2 1 261.413 3.314 20 0 CGADMP Cc1cccc(NCCCC[N@@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000157107260 524673196 /nfs/dbraw/zinc/67/31/96/524673196.db2.gz FQVUQOWUXXQQSQ-CQSZACIVSA-N 2 1 261.413 3.314 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000155998383 525265214 /nfs/dbraw/zinc/26/52/14/525265214.db2.gz RJMUBDDKVJDQSR-AEFFLSMTSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000155998383 525265223 /nfs/dbraw/zinc/26/52/23/525265223.db2.gz RJMUBDDKVJDQSR-AEFFLSMTSA-N 2 1 298.430 3.465 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414290635 526661868 /nfs/dbraw/zinc/66/18/68/526661868.db2.gz AFJVSVUAIQXDKS-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156091367 527194448 /nfs/dbraw/zinc/19/44/48/527194448.db2.gz JVNHJORMHGZQGH-GFCCVEGCSA-N 2 1 268.351 3.185 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(C)C)C1 ZINC000449092598 527743671 /nfs/dbraw/zinc/74/36/71/527743671.db2.gz UUPTZWTVVWWGQV-INIZCTEOSA-N 2 1 290.451 3.153 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCC(C)C)C1 ZINC000449092598 527743676 /nfs/dbraw/zinc/74/36/76/527743676.db2.gz UUPTZWTVVWWGQV-INIZCTEOSA-N 2 1 290.451 3.153 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423445736 527782520 /nfs/dbraw/zinc/78/25/20/527782520.db2.gz NEVAJTIYSIHHGY-KFWWJZLASA-N 2 1 278.440 3.498 20 0 CGADMP CC(C)CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccoc1 ZINC000423554241 527847458 /nfs/dbraw/zinc/84/74/58/527847458.db2.gz LOOULUJSGZDJTL-INIZCTEOSA-N 2 1 264.413 3.489 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccoc1 ZINC000423367316 527851084 /nfs/dbraw/zinc/85/10/84/527851084.db2.gz AEGGAXADWQXCAL-BPUTZDHNSA-N 2 1 264.413 3.487 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449203564 527987899 /nfs/dbraw/zinc/98/78/99/527987899.db2.gz HFOMAROBPZCXDW-DOTOQJQBSA-N 2 1 278.440 3.168 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423315562 528164604 /nfs/dbraw/zinc/16/46/04/528164604.db2.gz IZIBTEYTXJTBEG-SUMWQHHRSA-N 2 1 276.424 3.109 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423440941 528165617 /nfs/dbraw/zinc/16/56/17/528165617.db2.gz ITKLMOTYLZWYKR-MJBXVCDLSA-N 2 1 264.413 3.108 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423238179 528331627 /nfs/dbraw/zinc/33/16/27/528331627.db2.gz QTCHCOYWNHLGLX-AWEZNQCLSA-N 2 1 287.451 3.423 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423246654 528335027 /nfs/dbraw/zinc/33/50/27/528335027.db2.gz ZQJVEYUJCDHJCU-HIFRSBDPSA-N 2 1 266.816 3.175 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423285540 528531331 /nfs/dbraw/zinc/53/13/31/528531331.db2.gz ZILAWSDRNKSBJX-WPRPVWTQSA-N 2 1 291.258 3.145 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(Br)c1 ZINC000423323686 528574300 /nfs/dbraw/zinc/57/43/00/528574300.db2.gz KBYNEWPFOLGKNJ-RISCZKNCSA-N 2 1 299.256 3.473 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000357885692 528575281 /nfs/dbraw/zinc/57/52/81/528575281.db2.gz VWIJYXUCGCOKRL-OAHLLOKOSA-N 2 1 292.471 3.237 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414181738 528606622 /nfs/dbraw/zinc/60/66/22/528606622.db2.gz MTCZNYCDZONHQU-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000423433327 528690363 /nfs/dbraw/zinc/69/03/63/528690363.db2.gz CCGWWVURXZYHTL-MJBXVCDLSA-N 2 1 294.439 3.260 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000423289075 528949711 /nfs/dbraw/zinc/94/97/11/528949711.db2.gz WAUZHZULXGQDDJ-LBPRGKRZSA-N 2 1 281.419 3.060 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423287928 528951279 /nfs/dbraw/zinc/95/12/79/528951279.db2.gz PKCMGAUIJGSPEQ-OAHLLOKOSA-N 2 1 276.424 3.316 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423288883 528953238 /nfs/dbraw/zinc/95/32/38/528953238.db2.gz VOBXBRRHRXKNHG-CQSZACIVSA-N 2 1 266.816 3.434 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423261454 529072342 /nfs/dbraw/zinc/07/23/42/529072342.db2.gz JUHDUIIVKRDMAH-ZWNOBZJWSA-N 2 1 285.229 3.083 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(F)ccc1F ZINC000423384590 529126333 /nfs/dbraw/zinc/12/63/33/529126333.db2.gz GDEOZQPNFPQKGV-XZJROXQQSA-N 2 1 282.378 3.250 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000423281839 529155769 /nfs/dbraw/zinc/15/57/69/529155769.db2.gz BZSYMPZVZCJZNP-GFCCVEGCSA-N 2 1 272.339 3.066 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420319889 529168187 /nfs/dbraw/zinc/16/81/87/529168187.db2.gz AVSHYOOFICFEPL-QZTJIDSGSA-N 2 1 272.436 3.071 20 0 CGADMP CCc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424283755 529168709 /nfs/dbraw/zinc/16/87/09/529168709.db2.gz BYXACVJPDGJDCN-HNNXBMFYSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(OC)cc1 ZINC000423258645 529201881 /nfs/dbraw/zinc/20/18/81/529201881.db2.gz CFSXEOYOTKFDAY-GDBMZVCRSA-N 2 1 264.413 3.109 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc(F)c1 ZINC000423259031 529206459 /nfs/dbraw/zinc/20/64/59/529206459.db2.gz CZQNDBDFNXLUJH-LSDHHAIUSA-N 2 1 252.377 3.240 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423330652 529256914 /nfs/dbraw/zinc/25/69/14/529256914.db2.gz PNEAWBYVSLRKSZ-GFCCVEGCSA-N 2 1 264.438 3.331 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423282627 529257236 /nfs/dbraw/zinc/25/72/36/529257236.db2.gz CZDNTQUHAAHFAR-LLVKDONJSA-N 2 1 252.427 3.187 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000449270205 529341574 /nfs/dbraw/zinc/34/15/74/529341574.db2.gz IZFQSUZVHVNQLV-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000449270205 529341577 /nfs/dbraw/zinc/34/15/77/529341577.db2.gz IZFQSUZVHVNQLV-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(C)c2)CC1 ZINC000125259376 535457625 /nfs/dbraw/zinc/45/76/25/535457625.db2.gz YYSWMQHTXNJVHL-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(C)c2)CC1 ZINC000125259376 535457627 /nfs/dbraw/zinc/45/76/27/535457627.db2.gz YYSWMQHTXNJVHL-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3ncccc3c2)CC1 ZINC000125233205 535459600 /nfs/dbraw/zinc/45/96/00/535459600.db2.gz PNOYJWRDHGFHAJ-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3ncccc3c2)CC1 ZINC000125233205 535459605 /nfs/dbraw/zinc/45/96/05/535459605.db2.gz PNOYJWRDHGFHAJ-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000483494014 536170172 /nfs/dbraw/zinc/17/01/72/536170172.db2.gz TURGONXKWIICHT-MOPGFXCFSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000483494014 536170176 /nfs/dbraw/zinc/17/01/76/536170176.db2.gz TURGONXKWIICHT-MOPGFXCFSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000483494014 536170177 /nfs/dbraw/zinc/17/01/77/536170177.db2.gz TURGONXKWIICHT-MOPGFXCFSA-N 2 1 286.463 3.208 20 0 CGADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000459730272 536892368 /nfs/dbraw/zinc/89/23/68/536892368.db2.gz KCZRTEXASJPFBO-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000311874183 572350148 /nfs/dbraw/zinc/35/01/48/572350148.db2.gz ZQVDXUKFUCBTKA-FDYHWXHSSA-N 2 1 278.362 3.024 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379653309 572352769 /nfs/dbraw/zinc/35/27/69/572352769.db2.gz ZKKAMJJUSVXRII-MRXNPFEDSA-N 2 1 298.430 3.392 20 0 CGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924768521 620737004 /nfs/dbraw/zinc/73/70/04/620737004.db2.gz GOKXVGPQOLEQQH-KFAOIVLFSA-N 2 1 296.524 3.369 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC1CC[NH+](C)CC1)CC3 ZINC000891694104 618248825 /nfs/dbraw/zinc/24/88/25/618248825.db2.gz KHFMZZARSQKBLZ-UHFFFAOYSA-N 2 1 297.446 3.176 20 0 CGADMP C[N@H+]1C[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC000933738002 618312969 /nfs/dbraw/zinc/31/29/69/618312969.db2.gz WXVOPXNETXPMFT-ZBFHGGJFSA-N 2 1 280.362 3.008 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC000933738002 618312977 /nfs/dbraw/zinc/31/29/77/618312977.db2.gz WXVOPXNETXPMFT-ZBFHGGJFSA-N 2 1 280.362 3.008 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC000933738002 618312990 /nfs/dbraw/zinc/31/29/90/618312990.db2.gz WXVOPXNETXPMFT-ZBFHGGJFSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC000933738002 618312998 /nfs/dbraw/zinc/31/29/98/618312998.db2.gz WXVOPXNETXPMFT-ZBFHGGJFSA-N 2 1 280.362 3.008 20 0 CGADMP CC[C@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926510631 618717726 /nfs/dbraw/zinc/71/77/26/618717726.db2.gz XDZRMHYPBHQUGU-DUQJVZAFSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000782194388 618738165 /nfs/dbraw/zinc/73/81/65/618738165.db2.gz XPLNZGWWTPKSEG-HNNXBMFYSA-N 2 1 287.451 3.418 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000250820228 618743986 /nfs/dbraw/zinc/74/39/86/618743986.db2.gz RQDAHPARIHOGDC-INMHGKMJSA-N 2 1 270.376 3.229 20 0 CGADMP COC1CCC(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000892448574 618787761 /nfs/dbraw/zinc/78/77/61/618787761.db2.gz AUEOAGBXZPOZIO-GTPINHCMSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[C@H]1C ZINC000783226054 618898346 /nfs/dbraw/zinc/89/83/46/618898346.db2.gz ZHOQMYBKNIAQMF-PBHICJAKSA-N 2 1 260.425 3.415 20 0 CGADMP C(C1CCCCCC1)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287514 619138602 /nfs/dbraw/zinc/13/86/02/619138602.db2.gz ZMYVKJUFTJEQSC-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C(C1CCCCCC1)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287514 619138603 /nfs/dbraw/zinc/13/86/03/619138603.db2.gz ZMYVKJUFTJEQSC-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000925708992 619156549 /nfs/dbraw/zinc/15/65/49/619156549.db2.gz MVKRVMFEUVVMCU-OBCVZTRHSA-N 2 1 258.409 3.101 20 0 CGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)C1CCC([NH3+])CC1 ZINC000094522292 619259600 /nfs/dbraw/zinc/25/96/00/619259600.db2.gz KIKDLLTWORMYDP-UHFFFAOYSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872675 619302308 /nfs/dbraw/zinc/30/23/08/619302308.db2.gz WZABUQMEEBXHJH-USXIJHARSA-N 2 1 287.451 3.359 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000924875353 619385504 /nfs/dbraw/zinc/38/55/04/619385504.db2.gz YXSSLFAPRDIUES-CYBMUJFWSA-N 2 1 296.374 3.197 20 0 CGADMP CN(C/C=C/c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894747910 619620120 /nfs/dbraw/zinc/62/01/20/619620120.db2.gz FZHUTUJSXLPACY-RVTDRZASSA-N 2 1 288.410 3.396 20 0 CGADMP C[N@H+](C/C=C/c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894747910 619620126 /nfs/dbraw/zinc/62/01/26/619620126.db2.gz FZHUTUJSXLPACY-RVTDRZASSA-N 2 1 288.410 3.396 20 0 CGADMP C[NH+](C/C=C/c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894747910 619620146 /nfs/dbraw/zinc/62/01/46/619620146.db2.gz FZHUTUJSXLPACY-RVTDRZASSA-N 2 1 288.410 3.396 20 0 CGADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895377629 619816724 /nfs/dbraw/zinc/81/67/24/619816724.db2.gz OEFSJZPHIJOTJI-TZMCWYRMSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ncsc1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895377629 619816728 /nfs/dbraw/zinc/81/67/28/619816728.db2.gz OEFSJZPHIJOTJI-TZMCWYRMSA-N 2 1 281.469 3.004 20 0 CGADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000895383538 619817990 /nfs/dbraw/zinc/81/79/90/619817990.db2.gz JWZVKYGKSURQHI-PQUAAJSLSA-N 2 1 294.483 3.188 20 0 CGADMP COC1CCC(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000895383538 619817992 /nfs/dbraw/zinc/81/79/92/619817992.db2.gz JWZVKYGKSURQHI-PQUAAJSLSA-N 2 1 294.483 3.188 20 0 CGADMP C[NH+](C)CC[C@H](Nc1[nH]c2ccccc2[nH+]1)c1cccnc1 ZINC000895890876 619902074 /nfs/dbraw/zinc/90/20/74/619902074.db2.gz CYBZCHBTWQJOES-AWEZNQCLSA-N 2 1 295.390 3.063 20 0 CGADMP Cc1nc(NC2CCC(C)([NH+]3CCC3)CC2)c(C)c(C)[nH+]1 ZINC000896254490 619978855 /nfs/dbraw/zinc/97/88/55/619978855.db2.gz IFSLNBAYAANXNF-UHFFFAOYSA-N 2 1 288.439 3.221 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896724647 620050171 /nfs/dbraw/zinc/05/01/71/620050171.db2.gz WMAHHKODTTYEQK-WBVHZDCISA-N 2 1 277.456 3.346 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2cnccc2c1 ZINC000898308212 620510473 /nfs/dbraw/zinc/51/04/73/620510473.db2.gz SIXOJKBBNITQJI-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000898308212 620510475 /nfs/dbraw/zinc/51/04/75/620510475.db2.gz SIXOJKBBNITQJI-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000924688218 620563657 /nfs/dbraw/zinc/56/36/57/620563657.db2.gz RUZCQLXARGZLLS-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C3CCCCC3)CC2)s1 ZINC000898463376 620590350 /nfs/dbraw/zinc/59/03/50/620590350.db2.gz YOCGWHSHKVRUSA-UHFFFAOYSA-N 2 1 293.480 3.407 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344426 621256245 /nfs/dbraw/zinc/25/62/45/621256245.db2.gz CBBUQPNESHLOLG-DLBZAZTESA-N 3 1 295.515 3.009 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C1 ZINC000902351140 621283102 /nfs/dbraw/zinc/28/31/02/621283102.db2.gz CVPZNXVOMWTNST-JSGCOSHPSA-N 2 1 294.826 3.141 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000902405596 621291753 /nfs/dbraw/zinc/29/17/53/621291753.db2.gz JEGZENVFSSZIRF-ZFWWWQNUSA-N 2 1 278.827 3.447 20 0 CGADMP C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(F)cc1 ZINC000902444158 621321792 /nfs/dbraw/zinc/32/17/92/621321792.db2.gz MRIJTKCDRZEWAY-SSKCKEOISA-N 2 1 270.351 3.101 20 0 CGADMP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)c1 ZINC000902468770 621340060 /nfs/dbraw/zinc/34/00/60/621340060.db2.gz VEWBLJQSFZCXJP-FYNNLBNCSA-N 2 1 290.838 3.459 20 0 CGADMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000903009545 621531181 /nfs/dbraw/zinc/53/11/81/621531181.db2.gz BBJPKSPBCQMERY-FBVQUNGASA-N 2 1 294.483 3.043 20 0 CGADMP Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903057535 621546267 /nfs/dbraw/zinc/54/62/67/621546267.db2.gz IIKFHPNCPGEPGS-ZNXRZULTSA-N 2 1 270.420 3.242 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903090923 621567188 /nfs/dbraw/zinc/56/71/88/621567188.db2.gz JJUGKBBYTZYOBH-YJBOKZPZSA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903090923 621567189 /nfs/dbraw/zinc/56/71/89/621567189.db2.gz JJUGKBBYTZYOBH-YJBOKZPZSA-N 2 1 287.451 3.243 20 0 CGADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCS1 ZINC000903113847 621587391 /nfs/dbraw/zinc/58/73/91/621587391.db2.gz WZZFVDVWBWRBSN-YPAMNDHTSA-N 2 1 280.481 3.020 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903126724 621590865 /nfs/dbraw/zinc/59/08/65/621590865.db2.gz UQBIWGDWRQFKHA-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP CSC1CCC(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000903156958 621602237 /nfs/dbraw/zinc/60/22/37/621602237.db2.gz SPFWHYRFJXWGIH-SLTAFYQDSA-N 2 1 284.513 3.371 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000903172773 621613112 /nfs/dbraw/zinc/61/31/12/621613112.db2.gz DOUJEFZLIXKDDZ-FUHWJXTLSA-N 2 1 286.463 3.428 20 0 CGADMP CC(C)C[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903185100 621617025 /nfs/dbraw/zinc/61/70/25/621617025.db2.gz HIXZACHGSOTIDU-IBWRZXHSSA-N 2 1 262.441 3.168 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1(C3CCC3)CCC1)C2 ZINC000903185680 621617500 /nfs/dbraw/zinc/61/75/00/621617500.db2.gz KWPBJSNGDJHEFD-ZXFUBFMLSA-N 2 1 274.452 3.457 20 0 CGADMP CC1(C)C[C@]1(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216549 621632279 /nfs/dbraw/zinc/63/22/79/621632279.db2.gz DCFXPXYUALIQGF-YYDPCCRISA-N 2 1 262.441 3.170 20 0 CGADMP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903220152 621632988 /nfs/dbraw/zinc/63/29/88/621632988.db2.gz LGBVJVHISPPQAG-SGUZPLIJSA-N 2 1 274.452 3.026 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)c1cccnc1 ZINC000903378542 621721274 /nfs/dbraw/zinc/72/12/74/621721274.db2.gz QPGBAKPOHYAOIF-MPGHIAIKSA-N 2 1 287.451 3.243 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccnc1 ZINC000903380107 621723027 /nfs/dbraw/zinc/72/30/27/621723027.db2.gz KAXUESYLEDKESJ-HZPDHXFCSA-N 2 1 275.440 3.243 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000903427390 621742082 /nfs/dbraw/zinc/74/20/82/621742082.db2.gz YJIUTTFSMFGZDC-YNEHKIRRSA-N 2 1 250.411 3.012 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000903474703 621764337 /nfs/dbraw/zinc/76/43/37/621764337.db2.gz QLGZMSKJSBESGP-XHDPSFHLSA-N 2 1 298.352 3.191 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903723563 621796736 /nfs/dbraw/zinc/79/67/36/621796736.db2.gz IOOIAMFBECXLKJ-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903723563 621796738 /nfs/dbraw/zinc/79/67/38/621796738.db2.gz IOOIAMFBECXLKJ-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP c1ccc([C@@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCS2)cc1 ZINC000903728875 621797073 /nfs/dbraw/zinc/79/70/73/621797073.db2.gz GPJDLAPZGABNBZ-RDJZCZTQSA-N 2 1 290.476 3.166 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903742166 621801467 /nfs/dbraw/zinc/80/14/67/621801467.db2.gz VJSBBULGFFZLPJ-SJORKVTESA-N 2 1 276.399 3.120 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cncc(Cl)c2)CCC1 ZINC000903810570 621813191 /nfs/dbraw/zinc/81/31/91/621813191.db2.gz FFVAFVNMFPEIDI-OAHLLOKOSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cncc(Cl)c2)CCC1 ZINC000903810570 621813192 /nfs/dbraw/zinc/81/31/92/621813192.db2.gz FFVAFVNMFPEIDI-OAHLLOKOSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCCCCF)CCC1 ZINC000903812481 621814649 /nfs/dbraw/zinc/81/46/49/621814649.db2.gz UEZPTPKRVFVSLR-AWEZNQCLSA-N 2 1 256.409 3.110 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccc3ccccc3c1)C2 ZINC000903846373 621820388 /nfs/dbraw/zinc/82/03/88/621820388.db2.gz NFXLLVGCVXYZMK-QGTPRVQTSA-N 2 1 296.414 3.030 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000903888559 621822847 /nfs/dbraw/zinc/82/28/47/621822847.db2.gz GAYKBADPENYDDJ-UONOGXRCSA-N 2 1 274.399 3.404 20 0 CGADMP c1cc2c(s1)CCC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903891984 621824569 /nfs/dbraw/zinc/82/45/69/621824569.db2.gz FHTVCLMQRNZQDE-LQDVMPOASA-N 2 1 276.449 3.027 20 0 CGADMP Fc1ccc(C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000903874293 621824650 /nfs/dbraw/zinc/82/46/50/621824650.db2.gz XJFPEAQBIIMLHF-ZXFUBFMLSA-N 2 1 288.410 3.321 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879240 621825481 /nfs/dbraw/zinc/82/54/81/621825481.db2.gz WEHCPXZAMKENOS-ZKVVCRCRSA-N 2 1 288.410 3.493 20 0 CGADMP c1cc([C@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000903884219 621827100 /nfs/dbraw/zinc/82/71/00/621827100.db2.gz UZUBWAVNNDKJKF-YPAMNDHTSA-N 2 1 276.449 3.416 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@@H]([NH3+])CC(F)F)C(C)C)s1 ZINC000903886250 621827797 /nfs/dbraw/zinc/82/77/97/621827797.db2.gz ODDZFYMSPOIACN-NSHDSACASA-N 2 1 276.396 3.249 20 0 CGADMP Cc1ccc(C[N@H+](C[C@@H]([NH3+])CC(F)F)C(C)C)s1 ZINC000903886250 621827799 /nfs/dbraw/zinc/82/77/99/621827799.db2.gz ODDZFYMSPOIACN-NSHDSACASA-N 2 1 276.396 3.249 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1Cl)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903893196 621827890 /nfs/dbraw/zinc/82/78/90/621827890.db2.gz SEGJIKLGNFDNQV-PHTAMDTFSA-N 2 1 296.817 3.442 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903896207 621828441 /nfs/dbraw/zinc/82/84/41/621828441.db2.gz UBLFJTDGJRNOFE-YGYGVNHASA-N 2 1 284.447 3.395 20 0 CGADMP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)CC[C@H]1c1ccccc1 ZINC000903898867 621829736 /nfs/dbraw/zinc/82/97/36/621829736.db2.gz OTZSTQLZBLSVCR-VNQPRFMTSA-N 2 1 296.405 3.485 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)CC[C@H]1c1ccccc1 ZINC000903898867 621829737 /nfs/dbraw/zinc/82/97/37/621829737.db2.gz OTZSTQLZBLSVCR-VNQPRFMTSA-N 2 1 296.405 3.485 20 0 CGADMP C[C@@H]1CC[C@]2(CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC000903902151 621830744 /nfs/dbraw/zinc/83/07/44/621830744.db2.gz DEPQUAXLGZPQST-ZCRFILTFSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954067 621842659 /nfs/dbraw/zinc/84/26/59/621842659.db2.gz PIFUEZQPBPVXPJ-HNNXBMFYSA-N 2 1 296.405 3.319 20 0 CGADMP C(CC1CCCCCC1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970395 621843788 /nfs/dbraw/zinc/84/37/88/621843788.db2.gz WLWILTQBAUSDIN-QGZVFWFLSA-N 2 1 294.483 3.095 20 0 CGADMP CCC1CCC([N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C2CC2)CC1 ZINC000904312157 621903131 /nfs/dbraw/zinc/90/31/31/621903131.db2.gz NAUXKORWRFROLF-HFDVOGEKSA-N 2 1 250.430 3.157 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000904309877 621903268 /nfs/dbraw/zinc/90/32/68/621903268.db2.gz RODUPQGHALHOHP-JNSHFYNHSA-N 2 1 294.389 3.447 20 0 CGADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313968 621903955 /nfs/dbraw/zinc/90/39/55/621903955.db2.gz OZWBPPCPHZRNET-RANZSIQMSA-N 2 1 272.436 3.382 20 0 CGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904320603 621905093 /nfs/dbraw/zinc/90/50/93/621905093.db2.gz MSEVJCHSJJJMGA-UAGQMJEPSA-N 2 1 258.409 3.259 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000904322503 621905703 /nfs/dbraw/zinc/90/57/03/621905703.db2.gz YTAQDKYXHXCUJK-BYCMXARLSA-N 2 1 296.867 3.167 20 0 CGADMP Cc1cccc([C@H]2CC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904345556 621910513 /nfs/dbraw/zinc/91/05/13/621910513.db2.gz KCOAGKGCPRMTTB-ROUUACIJSA-N 2 1 272.436 3.174 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1C[NH3+] ZINC000904410819 621919241 /nfs/dbraw/zinc/91/92/41/621919241.db2.gz ITFOONMOSBXWGU-JSGCOSHPSA-N 2 1 274.433 3.318 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000904406743 621919468 /nfs/dbraw/zinc/91/94/68/621919468.db2.gz ZCUSALVABWAVMU-QWHCGFSZSA-N 2 1 266.816 3.114 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000904406744 621919491 /nfs/dbraw/zinc/91/94/91/621919491.db2.gz ZCUSALVABWAVMU-STQMWFEESA-N 2 1 266.816 3.114 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000151116645 622731499 /nfs/dbraw/zinc/73/14/99/622731499.db2.gz XDZQHIOYXWJFKG-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000164659313 622840653 /nfs/dbraw/zinc/84/06/53/622840653.db2.gz AYDFVNNAUKVKCN-LBPRGKRZSA-N 2 1 292.814 3.371 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000057994134 622895745 /nfs/dbraw/zinc/89/57/45/622895745.db2.gz WCYFDQLHSLHFTO-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226436160 622969180 /nfs/dbraw/zinc/96/91/80/622969180.db2.gz WKGBMFJYESOLBD-OAHLLOKOSA-N 2 1 264.388 3.037 20 0 CGADMP CS[C@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000921774310 625871772 /nfs/dbraw/zinc/87/17/72/625871772.db2.gz DHIIDSNBHKYLDT-GJZGRUSLSA-N 2 1 281.469 3.236 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCC[NH2+]C1CC1 ZINC000923301061 626143950 /nfs/dbraw/zinc/14/39/50/626143950.db2.gz OKYKFBDIXQAGKL-NSHDSACASA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923301061 626143953 /nfs/dbraw/zinc/14/39/53/626143953.db2.gz OKYKFBDIXQAGKL-NSHDSACASA-N 2 1 268.351 3.100 20 0 CGADMP C(C[N@@H+](C1CC1)C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923305661 626145062 /nfs/dbraw/zinc/14/50/62/626145062.db2.gz ZRBKLINRAQBBAH-GOOCMWNKSA-N 2 1 262.441 3.314 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923385586 626150486 /nfs/dbraw/zinc/15/04/86/626150486.db2.gz AXRXHHUHUCMLIK-MRXNPFEDSA-N 2 1 258.409 3.008 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2ccccc2o1 ZINC000020087841 634480619 /nfs/dbraw/zinc/48/06/19/634480619.db2.gz PXFFNHQMKZYVED-UHFFFAOYSA-N 2 1 260.381 3.110 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482908 626157094 /nfs/dbraw/zinc/15/70/94/626157094.db2.gz IRZZZGPLLULSKA-KBPBESRZSA-N 2 1 285.391 3.073 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000923480587 626157342 /nfs/dbraw/zinc/15/73/42/626157342.db2.gz AKZXZTKOVQGVJK-NSHDSACASA-N 2 1 293.461 3.042 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CC[C@@H]1C[NH3+] ZINC000923495753 626157886 /nfs/dbraw/zinc/15/78/86/626157886.db2.gz XBZGOQGTUQQGST-MRRJBJDNSA-N 2 1 276.399 3.120 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000923491794 626158013 /nfs/dbraw/zinc/15/80/13/626158013.db2.gz MTSHPPRLNZYDFQ-INIZCTEOSA-N 2 1 282.431 3.443 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498879 626158620 /nfs/dbraw/zinc/15/86/20/626158620.db2.gz QNOZMFHGQBIGDV-IVMMDQJWSA-N 2 1 264.388 3.194 20 0 CGADMP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923526029 626161101 /nfs/dbraw/zinc/16/11/01/626161101.db2.gz NIGIZHRHJRYCHY-WFASDCNBSA-N 2 1 298.883 3.408 20 0 CGADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923531698 626161524 /nfs/dbraw/zinc/16/15/24/626161524.db2.gz SHRQRTIUJCJYHA-ZBFHGGJFSA-N 2 1 278.465 3.145 20 0 CGADMP c1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166082316 626171453 /nfs/dbraw/zinc/17/14/53/626171453.db2.gz QHOIXJVKBYENEN-ZWKOTPCHSA-N 2 1 284.447 3.325 20 0 CGADMP C[C@@]1(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1(Cl)Cl ZINC000839128136 626321143 /nfs/dbraw/zinc/32/11/43/626321143.db2.gz DCHZYBFHQDVLGF-CYBMUJFWSA-N 2 1 291.266 3.177 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839182733 626326197 /nfs/dbraw/zinc/32/61/97/626326197.db2.gz PMCCQXASNKEQIE-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000753856748 626467912 /nfs/dbraw/zinc/46/79/12/626467912.db2.gz AVTSGUCEBDSSPQ-XNJGSVPQSA-N 2 1 294.389 3.415 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(C)ccc32)C1 ZINC000765293043 627245291 /nfs/dbraw/zinc/24/52/91/627245291.db2.gz YUUSHIXZPKGVNQ-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC000765358497 627246740 /nfs/dbraw/zinc/24/67/40/627246740.db2.gz GSAGPFUBFBASIM-CPUCHLNUSA-N 2 1 278.415 3.249 20 0 CGADMP CCCCC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000765406748 627248366 /nfs/dbraw/zinc/24/83/66/627248366.db2.gz UPFUFUFYUOYCHK-YESZJQIVSA-N 2 1 284.488 3.434 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccnc(Cl)c1 ZINC000765427552 627249086 /nfs/dbraw/zinc/24/90/86/627249086.db2.gz RCZHLJRZSUZTHM-GFCCVEGCSA-N 2 1 293.842 3.403 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)COC2 ZINC000769484573 627559072 /nfs/dbraw/zinc/55/90/72/627559072.db2.gz WKCBDUIKAZMUPW-GOSISDBHSA-N 2 1 288.435 3.023 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)COC2 ZINC000769484573 627559075 /nfs/dbraw/zinc/55/90/75/627559075.db2.gz WKCBDUIKAZMUPW-GOSISDBHSA-N 2 1 288.435 3.023 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)COC2 ZINC000769484573 627559077 /nfs/dbraw/zinc/55/90/77/627559077.db2.gz WKCBDUIKAZMUPW-GOSISDBHSA-N 2 1 288.435 3.023 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)COC2 ZINC000769484573 627559080 /nfs/dbraw/zinc/55/90/80/627559080.db2.gz WKCBDUIKAZMUPW-GOSISDBHSA-N 2 1 288.435 3.023 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cncc2ccccc21 ZINC000772917594 627832590 /nfs/dbraw/zinc/83/25/90/627832590.db2.gz ANGUJRFMTIZYRU-CQSZACIVSA-N 2 1 294.402 3.166 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777594854 628286580 /nfs/dbraw/zinc/28/65/80/628286580.db2.gz RMPBLMPGVYUONV-QGZVFWFLSA-N 2 1 278.415 3.320 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777594854 628286581 /nfs/dbraw/zinc/28/65/81/628286581.db2.gz RMPBLMPGVYUONV-QGZVFWFLSA-N 2 1 278.415 3.320 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCCSC1)[NH+]1CCC(C)CC1 ZINC000783540540 628723442 /nfs/dbraw/zinc/72/34/42/628723442.db2.gz ZCJVGLBMSXIHPF-HZPDHXFCSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863483046 629586414 /nfs/dbraw/zinc/58/64/14/629586414.db2.gz PEJODLBIQGHUPU-SWLSCSKDSA-N 2 1 278.827 3.145 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000797116756 629890771 /nfs/dbraw/zinc/89/07/71/629890771.db2.gz YQJVBAATYGLKIZ-PBHICJAKSA-N 2 1 278.415 3.221 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000797116756 629890773 /nfs/dbraw/zinc/89/07/73/629890773.db2.gz YQJVBAATYGLKIZ-PBHICJAKSA-N 2 1 278.415 3.221 20 0 CGADMP Fc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000865416508 630111170 /nfs/dbraw/zinc/11/11/70/630111170.db2.gz AQGWBXOQQMWBHF-HZPDHXFCSA-N 2 1 299.393 3.090 20 0 CGADMP Fc1cccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cnc12 ZINC000865416508 630111175 /nfs/dbraw/zinc/11/11/75/630111175.db2.gz AQGWBXOQQMWBHF-HZPDHXFCSA-N 2 1 299.393 3.090 20 0 CGADMP C[N@@H+](CCSC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC000801923279 630367506 /nfs/dbraw/zinc/36/75/06/630367506.db2.gz CXTLMDKCPJZSSO-CQSZACIVSA-N 2 1 272.502 3.324 20 0 CGADMP C[NH+](CCSC(C)(C)C)CC[C@H]1CCCC[N@@H+]1C ZINC000801923279 630367510 /nfs/dbraw/zinc/36/75/10/630367510.db2.gz CXTLMDKCPJZSSO-CQSZACIVSA-N 2 1 272.502 3.324 20 0 CGADMP C[NH+](CCSC(C)(C)C)CC[C@H]1CCCC[N@H+]1C ZINC000801923279 630367515 /nfs/dbraw/zinc/36/75/15/630367515.db2.gz CXTLMDKCPJZSSO-CQSZACIVSA-N 2 1 272.502 3.324 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCSC(C)(C)C)C1 ZINC000801923811 630367942 /nfs/dbraw/zinc/36/79/42/630367942.db2.gz FOYAGMABUWADLB-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCSC(C)(C)C)C1 ZINC000801923811 630367943 /nfs/dbraw/zinc/36/79/43/630367943.db2.gz FOYAGMABUWADLB-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000801923811 630367950 /nfs/dbraw/zinc/36/79/50/630367950.db2.gz FOYAGMABUWADLB-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933204 630368708 /nfs/dbraw/zinc/36/87/08/630368708.db2.gz KSGBEOKFHSGCSL-ZIAGYGMSSA-N 2 1 272.502 3.180 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933204 630368711 /nfs/dbraw/zinc/36/87/11/630368711.db2.gz KSGBEOKFHSGCSL-ZIAGYGMSSA-N 2 1 272.502 3.180 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933204 630368712 /nfs/dbraw/zinc/36/87/12/630368712.db2.gz KSGBEOKFHSGCSL-ZIAGYGMSSA-N 2 1 272.502 3.180 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(C)(C)C ZINC000878661513 635596388 /nfs/dbraw/zinc/59/63/88/635596388.db2.gz DIFPEPSWPOTBBE-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C(C)(C)C ZINC000878661513 635596393 /nfs/dbraw/zinc/59/63/93/635596393.db2.gz DIFPEPSWPOTBBE-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C(C)(C)C ZINC000878661513 635596398 /nfs/dbraw/zinc/59/63/98/635596398.db2.gz DIFPEPSWPOTBBE-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP COc1ccc2c(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000811811370 631122445 /nfs/dbraw/zinc/12/24/45/631122445.db2.gz AREXSIBFECJTLC-QWHCGFSZSA-N 2 1 297.402 3.281 20 0 CGADMP COc1ccc2c(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000811811368 631122693 /nfs/dbraw/zinc/12/26/93/631122693.db2.gz AREXSIBFECJTLC-CHWSQXEVSA-N 2 1 297.402 3.281 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C1CC2(C1)CCCCC2)C1CC1 ZINC000817407276 632140109 /nfs/dbraw/zinc/14/01/09/632140109.db2.gz ICQUHPITWDLSFJ-HNNXBMFYSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C(C1CCCC1)C1CCCC1 ZINC000817893838 632230812 /nfs/dbraw/zinc/23/08/12/632230812.db2.gz ITAFEDGXTNBOQF-YOEHRIQHSA-N 2 1 294.483 3.092 20 0 CGADMP C[C@](O)(CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000817924767 632234969 /nfs/dbraw/zinc/23/49/69/632234969.db2.gz XFPXJEBRWJYSCZ-QYZOEREBSA-N 2 1 296.414 3.019 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])CCC2 ZINC000817921778 632235125 /nfs/dbraw/zinc/23/51/25/632235125.db2.gz IGOZJQKCFZEEJU-YRGRVCCFSA-N 2 1 279.453 3.079 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(Cl)nc1 ZINC000817943483 632242058 /nfs/dbraw/zinc/24/20/58/632242058.db2.gz OPZFSGMPJDUJBO-LBPRGKRZSA-N 2 1 281.831 3.437 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000817961725 632257294 /nfs/dbraw/zinc/25/72/94/632257294.db2.gz AWGCKSQNDPWZGQ-HOTGVXAUSA-N 2 1 276.424 3.180 20 0 CGADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccnc1Cl ZINC000817969248 632262944 /nfs/dbraw/zinc/26/29/44/632262944.db2.gz SPOYHTQDKDMQOT-NSHDSACASA-N 2 1 287.794 3.189 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccnc(Cl)c1 ZINC000817987185 632276252 /nfs/dbraw/zinc/27/62/52/632276252.db2.gz XLOLMSAIQAKTCW-WCQYABFASA-N 2 1 279.815 3.060 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CC[C@@H]1CC1(Cl)Cl)CC[NH2+]CC2 ZINC000818339512 632309586 /nfs/dbraw/zinc/30/95/86/632309586.db2.gz ARQCBTGSMZHUCW-VXGBXAGGSA-N 2 1 291.266 3.034 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000865850875 632916229 /nfs/dbraw/zinc/91/62/29/632916229.db2.gz BRXIEAWLFYCSTI-TZMCWYRMSA-N 2 1 287.407 3.351 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000865850875 632916238 /nfs/dbraw/zinc/91/62/38/632916238.db2.gz BRXIEAWLFYCSTI-TZMCWYRMSA-N 2 1 287.407 3.351 20 0 CGADMP Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000866208942 633029509 /nfs/dbraw/zinc/02/95/09/633029509.db2.gz YDOLSLKPVYSYMH-RHSMWYFYSA-N 2 1 281.403 3.074 20 0 CGADMP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000866217881 633032524 /nfs/dbraw/zinc/03/25/24/633032524.db2.gz ITEYRSYFPSYRNT-YVEFUNNKSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866584098 633203788 /nfs/dbraw/zinc/20/37/88/633203788.db2.gz MJZIHPFGDQNRDL-NXHRZFHOSA-N 2 1 272.436 3.034 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584098 633203792 /nfs/dbraw/zinc/20/37/92/633203792.db2.gz MJZIHPFGDQNRDL-NXHRZFHOSA-N 2 1 272.436 3.034 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584098 633203795 /nfs/dbraw/zinc/20/37/95/633203795.db2.gz MJZIHPFGDQNRDL-NXHRZFHOSA-N 2 1 272.436 3.034 20 0 CGADMP CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000866702725 633234286 /nfs/dbraw/zinc/23/42/86/633234286.db2.gz FTCNPHOPVODZEO-UKRRQHHQSA-N 2 1 276.399 3.003 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)nc1Cl ZINC000866709084 633235546 /nfs/dbraw/zinc/23/55/46/633235546.db2.gz PMYVAUICVRAVHD-MRXNPFEDSA-N 2 1 295.858 3.240 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)nc1Cl ZINC000866709084 633235550 /nfs/dbraw/zinc/23/55/50/633235550.db2.gz PMYVAUICVRAVHD-MRXNPFEDSA-N 2 1 295.858 3.240 20 0 CGADMP CC(C)C[N@H+](Cc1cccc(N)c1)CC1CC[NH+](C)CC1 ZINC000866717516 633235975 /nfs/dbraw/zinc/23/59/75/633235975.db2.gz HCPRSXNYCFFUSI-UHFFFAOYSA-N 2 1 289.467 3.069 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872017795 633937943 /nfs/dbraw/zinc/93/79/43/633937943.db2.gz DZFLXLQJPAXUTI-BRWVUGGUSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+]1CCCC1 ZINC000872021198 633942420 /nfs/dbraw/zinc/94/24/20/633942420.db2.gz OKFGHBXOTMCATN-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H](CC1CCCCC1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000872026326 633946336 /nfs/dbraw/zinc/94/63/36/633946336.db2.gz CSCISEKUPHXKGK-QGZVFWFLSA-N 2 1 296.499 3.172 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872072655 633994092 /nfs/dbraw/zinc/99/40/92/633994092.db2.gz IEYHHSZIKSUVTP-BZUAXINKSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872072655 633994099 /nfs/dbraw/zinc/99/40/99/633994099.db2.gz IEYHHSZIKSUVTP-BZUAXINKSA-N 2 1 284.488 3.290 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000872158225 634069368 /nfs/dbraw/zinc/06/93/68/634069368.db2.gz UCVHITWHEVDHMZ-YJBOKZPZSA-N 2 1 287.451 3.201 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872250745 634089635 /nfs/dbraw/zinc/08/96/35/634089635.db2.gz ALVQASJHLXHHNL-AWEZNQCLSA-N 2 1 296.842 3.216 20 0 CGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877143977 635001247 /nfs/dbraw/zinc/00/12/47/635001247.db2.gz CWUAPZFGYJCCAV-UHFFFAOYSA-N 2 1 295.839 3.148 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000840808127 635055604 /nfs/dbraw/zinc/05/56/04/635055604.db2.gz IORSFTREPMCHAA-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741098 635177031 /nfs/dbraw/zinc/17/70/31/635177031.db2.gz UYPUKTFKFXFNPE-KBAYOESNSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877741098 635177033 /nfs/dbraw/zinc/17/70/33/635177033.db2.gz UYPUKTFKFXFNPE-KBAYOESNSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877741098 635177038 /nfs/dbraw/zinc/17/70/38/635177038.db2.gz UYPUKTFKFXFNPE-KBAYOESNSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H](c2ccccc2)O1 ZINC000842471942 635376154 /nfs/dbraw/zinc/37/61/54/635376154.db2.gz IMIUPVKUXYFIQP-FUHWJXTLSA-N 2 1 290.451 3.358 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000842473107 635377661 /nfs/dbraw/zinc/37/76/61/635377661.db2.gz PGUDDGPIHIFSIW-INIZCTEOSA-N 2 1 264.388 3.482 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])C[C@@H](c2ccsc2)O1 ZINC000842472771 635377759 /nfs/dbraw/zinc/37/77/59/635377759.db2.gz KGUQNDRMCSWHJR-HOCLYGCPSA-N 2 1 296.480 3.419 20 0 CGADMP COc1ccc(C[N@@H+](C)CCCCCCC[NH3+])cc1C ZINC000842472373 635377827 /nfs/dbraw/zinc/37/78/27/635377827.db2.gz XLBLDZSMLOUHFB-UHFFFAOYSA-N 2 1 278.440 3.345 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878147988 635377760 /nfs/dbraw/zinc/37/77/60/635377760.db2.gz LEUXIPYLGOGCMB-HNNXBMFYSA-N 2 1 264.457 3.230 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000878257155 635435607 /nfs/dbraw/zinc/43/56/07/635435607.db2.gz FNCMZJCSQPPASD-KKUMJFAQSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000878257155 635435610 /nfs/dbraw/zinc/43/56/10/635435610.db2.gz FNCMZJCSQPPASD-KKUMJFAQSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000878257155 635435614 /nfs/dbraw/zinc/43/56/14/635435614.db2.gz FNCMZJCSQPPASD-KKUMJFAQSA-N 2 1 288.426 3.474 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)(C)OC2(C)C)[C@@H](C)C1 ZINC000878258239 635435757 /nfs/dbraw/zinc/43/57/57/635435757.db2.gz MVWIMGYRNMHFMI-JYJNAYRXSA-N 2 1 296.499 3.242 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)(C)OC2(C)C)[C@@H](C)C1 ZINC000878258239 635435762 /nfs/dbraw/zinc/43/57/62/635435762.db2.gz MVWIMGYRNMHFMI-JYJNAYRXSA-N 2 1 296.499 3.242 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)(C)OC2(C)C)[C@@H](C)C1 ZINC000878258239 635435767 /nfs/dbraw/zinc/43/57/67/635435767.db2.gz MVWIMGYRNMHFMI-JYJNAYRXSA-N 2 1 296.499 3.242 20 0 CGADMP C[N@@H+](Cc1ccc(SC(F)F)cc1)C1CC[NH2+]CC1 ZINC000843046209 635549114 /nfs/dbraw/zinc/54/91/14/635549114.db2.gz PLDYJHROMBBJNP-UHFFFAOYSA-N 2 1 286.391 3.185 20 0 CGADMP C[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000843054882 635551447 /nfs/dbraw/zinc/55/14/47/635551447.db2.gz MEMGKLWHTDDQML-UWTIGNOOSA-N 2 1 264.388 3.131 20 0 CGADMP C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CCC([NH3+])CC1 ZINC000843055755 635553140 /nfs/dbraw/zinc/55/31/40/635553140.db2.gz OUNPONYTGZLAGN-UHFFFAOYSA-N 2 1 295.430 3.450 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCCC(C)(C)O3)C2)CC1 ZINC000878549927 635553479 /nfs/dbraw/zinc/55/34/79/635553479.db2.gz ROTBBLIGIWZAGJ-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CC[C@@H]1CCCC1(F)F ZINC000878549866 635554054 /nfs/dbraw/zinc/55/40/54/635554054.db2.gz LQAZPZFOJMBZAI-AWEZNQCLSA-N 2 1 274.399 3.230 20 0 CGADMP C[N@@H+](CCCSC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608268 635568344 /nfs/dbraw/zinc/56/83/44/635568344.db2.gz NIAYSKIIZZWNDN-YIONKMFJSA-N 2 1 284.513 3.465 20 0 CGADMP C[NH+](CCCSC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608268 635568346 /nfs/dbraw/zinc/56/83/46/635568346.db2.gz NIAYSKIIZZWNDN-YIONKMFJSA-N 2 1 284.513 3.465 20 0 CGADMP C[NH+](CCCSC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608268 635568347 /nfs/dbraw/zinc/56/83/47/635568347.db2.gz NIAYSKIIZZWNDN-YIONKMFJSA-N 2 1 284.513 3.465 20 0 CGADMP COC(C)(C)CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702915 635839194 /nfs/dbraw/zinc/83/91/94/635839194.db2.gz ASABNLQVAWGVJA-UHFFFAOYSA-N 2 1 284.488 3.101 20 0 CGADMP Cc1ccnc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000879703801 635839209 /nfs/dbraw/zinc/83/92/09/635839209.db2.gz XVJWCVPXVPFLRP-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749372 635853546 /nfs/dbraw/zinc/85/35/46/635853546.db2.gz HNNPTHJPRUHELH-KRWDZBQOSA-N 2 1 275.440 3.259 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749372 635853550 /nfs/dbraw/zinc/85/35/50/635853550.db2.gz HNNPTHJPRUHELH-KRWDZBQOSA-N 2 1 275.440 3.259 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccnc1Cl ZINC000844923773 635986334 /nfs/dbraw/zinc/98/63/34/635986334.db2.gz JZDVRUVASGHXHS-SNVBAGLBSA-N 2 1 293.773 3.184 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1C ZINC000880473555 636007335 /nfs/dbraw/zinc/00/73/35/636007335.db2.gz IIDMRSBHBGWLAF-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CC1(Cl)Cl ZINC000880516261 636013646 /nfs/dbraw/zinc/01/36/46/636013646.db2.gz HLTOQKIXKXFBET-CYBMUJFWSA-N 2 1 293.282 3.378 20 0 CGADMP c1cc(N2CCCC2)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128835174 636079459 /nfs/dbraw/zinc/07/94/59/636079459.db2.gz ILDZRISWZUSFBG-SJLPKXTDSA-N 2 1 285.435 3.326 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000846217528 636161060 /nfs/dbraw/zinc/16/10/60/636161060.db2.gz JHKREBJXDBPVLQ-QGZVFWFLSA-N 2 1 260.425 3.213 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000846218796 636161081 /nfs/dbraw/zinc/16/10/81/636161081.db2.gz WZYZKSFCPUVPQR-MSOLQXFVSA-N 2 1 290.451 3.094 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000846219288 636162571 /nfs/dbraw/zinc/16/25/71/636162571.db2.gz NCPMYKMGHOFYGW-OAHLLOKOSA-N 2 1 250.361 3.092 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000846221269 636163241 /nfs/dbraw/zinc/16/32/41/636163241.db2.gz VYEDMPXEPOWZMZ-CQSZACIVSA-N 2 1 296.842 3.312 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCC[NH3+])C1 ZINC000846222233 636163574 /nfs/dbraw/zinc/16/35/74/636163574.db2.gz VECICKLQFYVCPN-MSOLQXFVSA-N 3 1 295.515 3.092 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846222233 636163576 /nfs/dbraw/zinc/16/35/76/636163576.db2.gz VECICKLQFYVCPN-MSOLQXFVSA-N 3 1 295.515 3.092 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846222233 636163577 /nfs/dbraw/zinc/16/35/77/636163577.db2.gz VECICKLQFYVCPN-MSOLQXFVSA-N 3 1 295.515 3.092 20 0 CGADMP CC[C@](C)([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000846845608 636258267 /nfs/dbraw/zinc/25/82/67/636258267.db2.gz ZIIPJMPPQVJWIA-KRWDZBQOSA-N 2 1 271.408 3.268 20 0 CGADMP CCSc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000883245117 636613709 /nfs/dbraw/zinc/61/37/09/636613709.db2.gz DUGKZGFLTIJSFX-DZGCQCFKSA-N 2 1 278.465 3.371 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883246719 636614722 /nfs/dbraw/zinc/61/47/22/636614722.db2.gz PEYDLCLTCBPUTM-JENIJYKNSA-N 2 1 284.447 3.453 20 0 CGADMP COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000883320371 636671631 /nfs/dbraw/zinc/67/16/31/636671631.db2.gz JSDMPRCQLBGQLM-JLJPHGGASA-N 2 1 299.418 3.256 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]2CCC[C@@H]21 ZINC000883321987 636673556 /nfs/dbraw/zinc/67/35/56/636673556.db2.gz RJNLZJJYBJKWNE-NYXISSTPSA-N 2 1 262.441 3.028 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000849073517 636738222 /nfs/dbraw/zinc/73/82/22/636738222.db2.gz ZGVJILKMXACQRB-HUUCEWRRSA-N 2 1 284.492 3.045 20 0 CGADMP C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1CCC([NH3+])CC1 ZINC000883417591 636749333 /nfs/dbraw/zinc/74/93/33/636749333.db2.gz GLRLMRXWKWLTLA-HIEASXQVSA-N 2 1 288.435 3.108 20 0 CGADMP N[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1c1ccccc1 ZINC000883428619 636751959 /nfs/dbraw/zinc/75/19/59/636751959.db2.gz YNWLXUHSJBHYLC-HRCADAONSA-N 2 1 294.389 3.239 20 0 CGADMP N[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1c1ccccc1 ZINC000883428619 636751965 /nfs/dbraw/zinc/75/19/65/636751965.db2.gz YNWLXUHSJBHYLC-HRCADAONSA-N 2 1 294.389 3.239 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883428032 636752479 /nfs/dbraw/zinc/75/24/79/636752479.db2.gz JWKKTANCHMXXHH-OKZBNKHCSA-N 2 1 288.435 3.110 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883441319 636758044 /nfs/dbraw/zinc/75/80/44/636758044.db2.gz LPQFSGRJAMQOSP-ROUUACIJSA-N 2 1 290.451 3.358 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850424351 637056882 /nfs/dbraw/zinc/05/68/82/637056882.db2.gz JFOUERRDDYFQCH-GJZGRUSLSA-N 2 1 288.435 3.004 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000885981821 637341743 /nfs/dbraw/zinc/34/17/43/637341743.db2.gz OIGGBOJSMKBWOT-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000885981821 637341746 /nfs/dbraw/zinc/34/17/46/637341746.db2.gz OIGGBOJSMKBWOT-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1coc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000886041323 637382195 /nfs/dbraw/zinc/38/21/95/637382195.db2.gz MLTCZEWBOQMXFR-HNNXBMFYSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1coc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000886041323 637382203 /nfs/dbraw/zinc/38/22/03/637382203.db2.gz MLTCZEWBOQMXFR-HNNXBMFYSA-N 2 1 264.413 3.046 20 0 CGADMP CC[N@H+](CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(C)C ZINC000886521061 637550647 /nfs/dbraw/zinc/55/06/47/637550647.db2.gz SZAKZYQLKBSMPO-UHFFFAOYSA-N 3 1 295.515 3.103 20 0 CGADMP CC[N@@H+](CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(C)C ZINC000886521061 637550657 /nfs/dbraw/zinc/55/06/57/637550657.db2.gz SZAKZYQLKBSMPO-UHFFFAOYSA-N 3 1 295.515 3.103 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCc3cccnc32)C1 ZINC000886553159 637577243 /nfs/dbraw/zinc/57/72/43/637577243.db2.gz FKBSBJOVPLFILR-WBVHZDCISA-N 2 1 287.451 3.027 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886553159 637577250 /nfs/dbraw/zinc/57/72/50/637577250.db2.gz FKBSBJOVPLFILR-WBVHZDCISA-N 2 1 287.451 3.027 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886553159 637577257 /nfs/dbraw/zinc/57/72/57/637577257.db2.gz FKBSBJOVPLFILR-WBVHZDCISA-N 2 1 287.451 3.027 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOC1CCCCCC1)C2 ZINC000852109167 637599339 /nfs/dbraw/zinc/59/93/39/637599339.db2.gz WYRCIPOCJKNXTM-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOC1CCCCCC1)C2 ZINC000852109167 637599347 /nfs/dbraw/zinc/59/93/47/637599347.db2.gz WYRCIPOCJKNXTM-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOC1CCCCCC1)C2 ZINC000852109167 637599353 /nfs/dbraw/zinc/59/93/53/637599353.db2.gz WYRCIPOCJKNXTM-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOC1CCCCCC1)C2 ZINC000852109167 637599361 /nfs/dbraw/zinc/59/93/61/637599361.db2.gz WYRCIPOCJKNXTM-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886603375 637599750 /nfs/dbraw/zinc/59/97/50/637599750.db2.gz MHKUGXZKRRENDB-WWDZGPRUSA-N 3 1 295.515 3.103 20 0 CGADMP CC(F)(F)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886615743 637606821 /nfs/dbraw/zinc/60/68/21/637606821.db2.gz MXAWRVIRUOKFEH-UHFFFAOYSA-N 2 1 260.372 3.028 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCOCC3CCC3)CC2)[nH+]c1C ZINC000886661656 637638958 /nfs/dbraw/zinc/63/89/58/637638958.db2.gz ZQIDSJLQZWHNAD-UHFFFAOYSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCCc3ccncc3)CC2)[nH+]c1C ZINC000886662401 637639120 /nfs/dbraw/zinc/63/91/20/637639120.db2.gz CUMOSPVFHSZJMV-UHFFFAOYSA-N 2 1 298.434 3.234 20 0 CGADMP ClC(Cl)=CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000852749014 637707097 /nfs/dbraw/zinc/70/70/97/637707097.db2.gz GHZMNWIMCRTJBJ-RYUDHWBXSA-N 2 1 277.239 3.017 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCc2ccccc21 ZINC000852760940 637708366 /nfs/dbraw/zinc/70/83/66/637708366.db2.gz OWTZFCRXQXQGMX-MRXNPFEDSA-N 2 1 260.425 3.167 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC000886874035 637715212 /nfs/dbraw/zinc/71/52/12/637715212.db2.gz FBFZKHBXZQZDQC-LJQANCHMSA-N 2 1 295.430 3.200 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924651644 638384185 /nfs/dbraw/zinc/38/41/85/638384185.db2.gz ZOYHNILPHUNMSS-IMJJTQAJSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688289 638388366 /nfs/dbraw/zinc/38/83/66/638388366.db2.gz SPBCIOKFHRSUOD-KURKYZTESA-N 2 1 296.499 3.149 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C)C(C(C)C)C(C)C)CC1 ZINC000924788889 638404824 /nfs/dbraw/zinc/40/48/24/638404824.db2.gz QLGCSDDSNAVVGV-HNNXBMFYSA-N 2 1 284.488 3.004 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2[C@H](C)CC[C@H]2C)C1 ZINC000924962037 638432707 /nfs/dbraw/zinc/43/27/07/638432707.db2.gz YEXRLESAOGMRGN-RBSFLKMASA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)C1 ZINC000925011913 638437264 /nfs/dbraw/zinc/43/72/64/638437264.db2.gz STWWRRPBLCKDRR-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP Fc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925507650 638514018 /nfs/dbraw/zinc/51/40/18/638514018.db2.gz WQZCDIGCDQHXPM-WBVHZDCISA-N 2 1 276.399 3.084 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Sc1ccccc1 ZINC000925523730 638518674 /nfs/dbraw/zinc/51/86/74/638518674.db2.gz NZGFETJQZDKQAB-UKRRQHHQSA-N 2 1 276.449 3.041 20 0 CGADMP CC(C)OC1CCC([NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925622243 638547595 /nfs/dbraw/zinc/54/75/95/638547595.db2.gz MNRHPVDULVCNKN-LTDKPHRXSA-N 2 1 290.451 3.401 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCc1cccs1)c1ccccc1 ZINC000925629952 638549034 /nfs/dbraw/zinc/54/90/34/638549034.db2.gz NMMLPHMQYGEUBM-XJKSGUPXSA-N 2 1 274.433 3.359 20 0 CGADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925772017 638605984 /nfs/dbraw/zinc/60/59/84/638605984.db2.gz FZEMNUWKTPYQSB-YWWSTOQWSA-N 2 1 284.447 3.361 20 0 CGADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925772012 638607092 /nfs/dbraw/zinc/60/70/92/638607092.db2.gz FZEMNUWKTPYQSB-VMLRXSKPSA-N 2 1 284.447 3.361 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C12CCC2 ZINC000925825761 638622095 /nfs/dbraw/zinc/62/20/95/638622095.db2.gz JOMYCIPDFJMROF-DJIMGWMZSA-N 2 1 298.430 3.292 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1OC ZINC000925828670 638623838 /nfs/dbraw/zinc/62/38/38/638623838.db2.gz YXHUGNHMQBIUMJ-DXBFTMOHSA-N 2 1 292.398 3.158 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858089228 638624775 /nfs/dbraw/zinc/62/47/75/638624775.db2.gz KXUKNXGBWXXSNW-INIZCTEOSA-N 2 1 290.451 3.226 20 0 CGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000925843507 638631660 /nfs/dbraw/zinc/63/16/60/638631660.db2.gz QNARLKCIZRRGOT-DRZCJDIDSA-N 2 1 298.352 3.287 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000858245838 638662613 /nfs/dbraw/zinc/66/26/13/638662613.db2.gz PKOVIYNBKJOOAO-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP COc1c(C)cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1C ZINC000858245347 638663021 /nfs/dbraw/zinc/66/30/21/638663021.db2.gz QRHMPMLHWQODOI-INIZCTEOSA-N 2 1 290.451 3.134 20 0 CGADMP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926510567 638779926 /nfs/dbraw/zinc/77/99/26/638779926.db2.gz VHOHCDHANYVJAH-XUXIUFHCSA-N 2 1 290.373 3.181 20 0 CGADMP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926510567 638779928 /nfs/dbraw/zinc/77/99/28/638779928.db2.gz VHOHCDHANYVJAH-XUXIUFHCSA-N 2 1 290.373 3.181 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)[nH]1 ZINC000929785515 638950997 /nfs/dbraw/zinc/95/09/97/638950997.db2.gz AYCYCTUSXPDDFV-BDJLRTHQSA-N 2 1 255.365 3.220 20 0 CGADMP Cc1nc(C)c(CN2C[C@@H](C)[C@@H]2c2ccccc2)[nH]1 ZINC000929785515 638950998 /nfs/dbraw/zinc/95/09/98/638950998.db2.gz AYCYCTUSXPDDFV-BDJLRTHQSA-N 2 1 255.365 3.220 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2CF)C[C@H]1C ZINC000929783215 638951301 /nfs/dbraw/zinc/95/13/01/638951301.db2.gz ZDGDVTKWCCJMLV-PBHICJAKSA-N 2 1 278.415 3.461 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2CF)C[C@H]1C ZINC000929783215 638951303 /nfs/dbraw/zinc/95/13/03/638951303.db2.gz ZDGDVTKWCCJMLV-PBHICJAKSA-N 2 1 278.415 3.461 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2CF)C[C@H]1C ZINC000929783215 638951305 /nfs/dbraw/zinc/95/13/05/638951305.db2.gz ZDGDVTKWCCJMLV-PBHICJAKSA-N 2 1 278.415 3.461 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC3=CCCCC3)C[C@]2(C)C1 ZINC000931313229 639132573 /nfs/dbraw/zinc/13/25/73/639132573.db2.gz ACBKZSYDWNULES-CALCHBBNSA-N 2 1 262.441 3.151 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CCC3=CCCCC3)C[C@]2(C)C1 ZINC000931313229 639132576 /nfs/dbraw/zinc/13/25/76/639132576.db2.gz ACBKZSYDWNULES-CALCHBBNSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CCC3=CCCCC3)C[C@]2(C)C1 ZINC000931313229 639132580 /nfs/dbraw/zinc/13/25/80/639132580.db2.gz ACBKZSYDWNULES-CALCHBBNSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC3=CCCCC3)C[C@]2(C)C1 ZINC000931313229 639132585 /nfs/dbraw/zinc/13/25/85/639132585.db2.gz ACBKZSYDWNULES-CALCHBBNSA-N 2 1 262.441 3.151 20 0 CGADMP CCc1ccccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354293 639139521 /nfs/dbraw/zinc/13/95/21/639139521.db2.gz ISOQFAGSZGAORF-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCc1cccnc1 ZINC000931704637 639192960 /nfs/dbraw/zinc/19/29/60/639192960.db2.gz XWSIPKWXOZWJDB-UHFFFAOYSA-N 2 1 289.467 3.212 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932204234 639295822 /nfs/dbraw/zinc/29/58/22/639295822.db2.gz PTRJKZLURRBTNC-HNNXBMFYSA-N 2 1 295.496 3.130 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932204234 639295835 /nfs/dbraw/zinc/29/58/35/639295835.db2.gz PTRJKZLURRBTNC-HNNXBMFYSA-N 2 1 295.496 3.130 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933129176 639422243 /nfs/dbraw/zinc/42/22/43/639422243.db2.gz JUBBXJAWAYCMAI-HNNXBMFYSA-N 2 1 295.496 3.048 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933129176 639422248 /nfs/dbraw/zinc/42/22/48/639422248.db2.gz JUBBXJAWAYCMAI-HNNXBMFYSA-N 2 1 295.496 3.048 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933915670 639506341 /nfs/dbraw/zinc/50/63/41/639506341.db2.gz RQPPXJCBRSOVHS-INIZCTEOSA-N 2 1 282.497 3.080 20 0 CGADMP C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251418679 640826505 /nfs/dbraw/zinc/82/65/05/640826505.db2.gz RXWGIDRUQADWFZ-HZAFXNSLSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])Nc1ccccc1 ZINC000303253535 640829989 /nfs/dbraw/zinc/82/99/89/640829989.db2.gz CYYFLULRKNBXKC-HNNXBMFYSA-N 2 1 288.439 3.277 20 0 CGADMP CCC[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133668 640858391 /nfs/dbraw/zinc/85/83/91/640858391.db2.gz CVKDNZYWCVHWSS-ZWKOTPCHSA-N 2 1 272.436 3.398 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133668 640858393 /nfs/dbraw/zinc/85/83/93/640858393.db2.gz CVKDNZYWCVHWSS-ZWKOTPCHSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1C[NH3+] ZINC000253182060 640873319 /nfs/dbraw/zinc/87/33/19/640873319.db2.gz FRONOTVNQJIGKO-SMDDNHRTSA-N 2 1 268.351 3.041 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)C3CCC([NH3+])CC3)ccc2n1 ZINC000097862674 640879055 /nfs/dbraw/zinc/87/90/55/640879055.db2.gz NOCOJFGZMIGRGU-UHFFFAOYSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cnc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c(C[NH3+])c1 ZINC001155962677 805629936 /nfs/dbraw/zinc/62/99/36/805629936.db2.gz ZFPYZUPNGUFMJO-UHFFFAOYSA-N 2 1 298.434 3.454 20 0 CGADMP COc1ccc2c[nH+]c(NCC[C@H]3CCC[N@H+](C)C3)cc2c1 ZINC001156389974 805683240 /nfs/dbraw/zinc/68/32/40/805683240.db2.gz SYEPODIJILTJIK-CQSZACIVSA-N 2 1 299.418 3.387 20 0 CGADMP COc1ccc2c[nH+]c(NCC[C@H]3CCC[N@@H+](C)C3)cc2c1 ZINC001156389974 805683243 /nfs/dbraw/zinc/68/32/43/805683243.db2.gz SYEPODIJILTJIK-CQSZACIVSA-N 2 1 299.418 3.387 20 0 CGADMP CCc1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001158266845 805932618 /nfs/dbraw/zinc/93/26/18/805932618.db2.gz UTIIPRDIUSINRD-PBHICJAKSA-N 2 1 290.455 3.303 20 0 CGADMP Cc1ccc2c(C)cc(N3CC4(C3)CCC[NH2+]C4)[nH+]c2c1C ZINC001159025064 806034704 /nfs/dbraw/zinc/03/47/04/806034704.db2.gz LBBUUUXCMHIVBA-UHFFFAOYSA-N 2 1 295.430 3.350 20 0 CGADMP CCCCC[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001253539758 806243133 /nfs/dbraw/zinc/24/31/33/806243133.db2.gz ZIXIKTXWPSVEOM-KSZLIROESA-N 2 1 296.499 3.266 20 0 CGADMP CCCCC[C@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001253539758 806243141 /nfs/dbraw/zinc/24/31/41/806243141.db2.gz ZIXIKTXWPSVEOM-KSZLIROESA-N 2 1 296.499 3.266 20 0 CGADMP CCCCC[C@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001253539758 806243145 /nfs/dbraw/zinc/24/31/45/806243145.db2.gz ZIXIKTXWPSVEOM-KSZLIROESA-N 2 1 296.499 3.266 20 0 CGADMP FC(F)(F)[C@@H]1C[NH2+]CC[C@H]1Nc1[nH+]ccc2ccccc21 ZINC001160739430 806299537 /nfs/dbraw/zinc/29/95/37/806299537.db2.gz XCTINHDAYJOTAK-CHWSQXEVSA-N 2 1 295.308 3.187 20 0 CGADMP CCc1nc(NC2CC[NH+](CC(C)(C)C)CC2)cc(C)[nH+]1 ZINC001161208680 806357810 /nfs/dbraw/zinc/35/78/10/806357810.db2.gz HQFJEMUVKDXRLZ-UHFFFAOYSA-N 2 1 290.455 3.270 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC001254185163 806359665 /nfs/dbraw/zinc/35/96/65/806359665.db2.gz WDLMSBUEQKNFBR-IXDOHACOSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCc2ccccc2CC1 ZINC001254460999 806409629 /nfs/dbraw/zinc/40/96/29/806409629.db2.gz VYJLHGQWYIHCFZ-UHFFFAOYSA-N 2 1 286.463 3.208 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001254482789 806413131 /nfs/dbraw/zinc/41/31/31/806413131.db2.gz MFUZGJYCRVWIEO-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001254491280 806415225 /nfs/dbraw/zinc/41/52/25/806415225.db2.gz SVTSZTGCYQKHAX-NVXWUHKLSA-N 2 1 262.441 3.315 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[N@H+](C)CC2)s1 ZINC001254499593 806420445 /nfs/dbraw/zinc/42/04/45/806420445.db2.gz KJMVKPNSZCTGLB-CQSZACIVSA-N 2 1 266.454 3.063 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C(F)F)CC1 ZINC001254499683 806421026 /nfs/dbraw/zinc/42/10/26/806421026.db2.gz NAPXXRHWYXROME-CYBMUJFWSA-N 2 1 268.351 3.198 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c(Cl)c1 ZINC001254505501 806424781 /nfs/dbraw/zinc/42/47/81/806424781.db2.gz HMOMGJXZBGFJJG-AWEZNQCLSA-N 2 1 266.816 3.222 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c(Cl)c1 ZINC001254505501 806424787 /nfs/dbraw/zinc/42/47/87/806424787.db2.gz HMOMGJXZBGFJJG-AWEZNQCLSA-N 2 1 266.816 3.222 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3sccc3c2)CC1 ZINC001254506043 806425264 /nfs/dbraw/zinc/42/52/64/806425264.db2.gz OCJPFIKBXSRCKJ-HNNXBMFYSA-N 2 1 274.433 3.475 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254508428 806428019 /nfs/dbraw/zinc/42/80/19/806428019.db2.gz QWAKGAIMYWWVKO-IRXDYDNUSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(CC3CCC3)CCOCC2)CC1 ZINC001254511520 806431018 /nfs/dbraw/zinc/43/10/18/806431018.db2.gz BKWNYSQFQATTNU-KRWDZBQOSA-N 2 1 294.483 3.047 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CC1 ZINC001254512779 806433371 /nfs/dbraw/zinc/43/33/71/806433371.db2.gz RNYQIRYDLKYFKC-QGZVFWFLSA-N 2 1 292.442 3.468 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CCC[NH+](C)CC1 ZINC001254525451 806438405 /nfs/dbraw/zinc/43/84/05/806438405.db2.gz IXZKUYSMIDKRKV-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525451 806438408 /nfs/dbraw/zinc/43/84/08/806438408.db2.gz IXZKUYSMIDKRKV-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525451 806438414 /nfs/dbraw/zinc/43/84/14/806438414.db2.gz IXZKUYSMIDKRKV-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524784 806438507 /nfs/dbraw/zinc/43/85/07/806438507.db2.gz ZIKIQYDVPXAAHJ-GJZGRUSLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524784 806438511 /nfs/dbraw/zinc/43/85/11/806438511.db2.gz ZIKIQYDVPXAAHJ-GJZGRUSLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524784 806438523 /nfs/dbraw/zinc/43/85/23/806438523.db2.gz ZIKIQYDVPXAAHJ-GJZGRUSLSA-N 2 1 276.399 3.099 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254530412 806443673 /nfs/dbraw/zinc/44/36/73/806443673.db2.gz XROWGHYOZRPFDG-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254530412 806443679 /nfs/dbraw/zinc/44/36/79/806443679.db2.gz XROWGHYOZRPFDG-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530412 806443682 /nfs/dbraw/zinc/44/36/82/806443682.db2.gz XROWGHYOZRPFDG-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC001255084635 806538495 /nfs/dbraw/zinc/53/84/95/806538495.db2.gz XYYMEOQODLYDFY-INIZCTEOSA-N 2 1 282.497 3.126 20 0 CGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC001255084635 806538500 /nfs/dbraw/zinc/53/85/00/806538500.db2.gz XYYMEOQODLYDFY-INIZCTEOSA-N 2 1 282.497 3.126 20 0 CGADMP CCCCc1nc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)cc(C)[nH+]1 ZINC001162462225 806589670 /nfs/dbraw/zinc/58/96/70/806589670.db2.gz UHYWHOULLLAABR-ZFWWWQNUSA-N 2 1 290.455 3.175 20 0 CGADMP CCCC[C@@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001255311488 806605242 /nfs/dbraw/zinc/60/52/42/806605242.db2.gz CPQCAXOHZRRCGC-TUBUQKNSSA-N 2 1 298.471 3.137 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccncc3)CC2)cc1 ZINC001255378293 806628214 /nfs/dbraw/zinc/62/82/14/806628214.db2.gz NLTYPQLHRZXBGD-IBGZPJMESA-N 2 1 295.430 3.226 20 0 CGADMP Cn1cccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377642 806629016 /nfs/dbraw/zinc/62/90/16/806629016.db2.gz GZAFAUDCWXCOOB-SFHVURJKSA-N 2 1 297.446 3.169 20 0 CGADMP C1=CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255383885 806631109 /nfs/dbraw/zinc/63/11/09/806631109.db2.gz PECILMVHQKRGFT-SFHVURJKSA-N 2 1 270.420 3.349 20 0 CGADMP CC1(C)C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399169 806632350 /nfs/dbraw/zinc/63/23/50/806632350.db2.gz NYYWIFLHCZXEJE-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])C1CCC(C(F)(F)F)CC1 ZINC001255507278 806657163 /nfs/dbraw/zinc/65/71/63/806657163.db2.gz REDUZNWKTVPSQC-UHFFFAOYSA-N 2 1 266.351 3.167 20 0 CGADMP CC1(C)C[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255534839 806666821 /nfs/dbraw/zinc/66/68/21/806666821.db2.gz XTUWIZPUAIKHOH-BPUTZDHNSA-N 2 1 280.456 3.068 20 0 CGADMP C[C@H](CC(F)(F)F)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001255632461 806683469 /nfs/dbraw/zinc/68/34/69/806683469.db2.gz AKKUQCOPFJZXRK-LLVKDONJSA-N 2 1 266.351 3.311 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(F)(F)F)[C@@H](C)C1 ZINC001255646659 806692679 /nfs/dbraw/zinc/69/26/79/806692679.db2.gz REGQDJXSXJPTCG-QJPTWQEYSA-N 2 1 266.351 3.036 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001257452309 807163483 /nfs/dbraw/zinc/16/34/83/807163483.db2.gz QEJCTRHDAXHZDG-OAHLLOKOSA-N 2 1 260.425 3.416 20 0 CGADMP C[N@@H+](Cc1ccsc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681363 806704645 /nfs/dbraw/zinc/70/46/45/806704645.db2.gz SCCSUHBZIOLTTP-YIONKMFJSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1ccsc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681363 806704649 /nfs/dbraw/zinc/70/46/49/806704649.db2.gz SCCSUHBZIOLTTP-YIONKMFJSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1ccsc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681363 806704652 /nfs/dbraw/zinc/70/46/52/806704652.db2.gz SCCSUHBZIOLTTP-YIONKMFJSA-N 2 1 264.438 3.195 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000307492092 799215513 /nfs/dbraw/zinc/21/55/13/799215513.db2.gz GUNNYCSKZDAJPD-YJBOKZPZSA-N 2 1 281.403 3.322 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]cc4)[C@@H]3C2)cc1 ZINC000309743339 799220710 /nfs/dbraw/zinc/22/07/10/799220710.db2.gz WTKMRKSDPYDYIX-UHOSZYNNSA-N 2 1 293.414 3.404 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3CN(c4cc[nH+]cc4)C[C@@H]3C2)cc1 ZINC000309963802 799221200 /nfs/dbraw/zinc/22/12/00/799221200.db2.gz JWIFHUHXUFSDIU-MSOLQXFVSA-N 2 1 293.414 3.040 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000311209551 799223587 /nfs/dbraw/zinc/22/35/87/799223587.db2.gz KOOPPZWAPAFWQF-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000311209551 799223590 /nfs/dbraw/zinc/22/35/90/799223590.db2.gz KOOPPZWAPAFWQF-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339084282 799280229 /nfs/dbraw/zinc/28/02/29/799280229.db2.gz JRRCYUXQHMIRIM-FPCVCCKLSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000382825217 799398565 /nfs/dbraw/zinc/39/85/65/799398565.db2.gz BWILXJLXCAHPPI-ZENOOKHLSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000382825217 799398572 /nfs/dbraw/zinc/39/85/72/799398572.db2.gz BWILXJLXCAHPPI-ZENOOKHLSA-N 2 1 280.843 3.201 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)CC1CC(F)(F)C1 ZINC000383201477 799400061 /nfs/dbraw/zinc/40/00/61/799400061.db2.gz ZCRROMGUKNQQFA-UHFFFAOYSA-N 2 1 274.399 3.276 20 0 CGADMP Cc1cc2[nH]ccc2c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)[nH+]1 ZINC001163364550 806749457 /nfs/dbraw/zinc/74/94/57/806749457.db2.gz DKHAMXIXIQWQFQ-IUODEOHRSA-N 2 1 286.423 3.402 20 0 CGADMP Cc1cc[nH+]c2cc(N[C@H]3C[NH+]4CCC3CC4)ccc12 ZINC001163395108 806756966 /nfs/dbraw/zinc/75/69/66/806756966.db2.gz MRYHAGFEGCRZPO-KRWDZBQOSA-N 2 1 267.376 3.049 20 0 CGADMP CO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000453065915 799631302 /nfs/dbraw/zinc/63/13/02/799631302.db2.gz VVHDSLMFZRPDNT-YESZJQIVSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1csc([C@@H](C)[NH2+]Cc2cc3c(s2)CC[NH2+]C3)n1 ZINC000688008996 799743865 /nfs/dbraw/zinc/74/38/65/799743865.db2.gz ZGGBEQDWIAQDJW-SNVBAGLBSA-N 2 1 293.461 3.010 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(F)cc1 ZINC001255878463 806780911 /nfs/dbraw/zinc/78/09/11/806780911.db2.gz PHAWOAOCFZGEET-CQSZACIVSA-N 2 1 266.404 3.030 20 0 CGADMP C[C@H](CC[NH2+][C@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000697904162 799849951 /nfs/dbraw/zinc/84/99/51/799849951.db2.gz NBVJBLQNUKDAPZ-CHWSQXEVSA-N 2 1 260.381 3.424 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC2(C1)CCCCC2 ZINC000699297819 799859649 /nfs/dbraw/zinc/85/96/49/799859649.db2.gz BGJFNQPPIUOPBG-MQVJKMGUSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000705220170 799945591 /nfs/dbraw/zinc/94/55/91/799945591.db2.gz XNZVSGDJSNMUCQ-NJAFHUGGSA-N 2 1 272.436 3.144 20 0 CGADMP C([C@@H]1CCCC[NH2+]1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708762654 799994207 /nfs/dbraw/zinc/99/42/07/799994207.db2.gz AOCMWXOQTCOLDI-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709525392 800009840 /nfs/dbraw/zinc/00/98/40/800009840.db2.gz YVYMERUNLYQAPE-WTUNAVPPSA-N 2 1 290.373 3.181 20 0 CGADMP C[C@]1(C(F)(F)F)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000709641774 800010352 /nfs/dbraw/zinc/01/03/52/800010352.db2.gz CHFCRULZDINVRT-ZDUSSCGKSA-N 2 1 278.362 3.041 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC001255953746 806796267 /nfs/dbraw/zinc/79/62/67/806796267.db2.gz NTVXCUGBZXEPPY-GUYCJALGSA-N 2 1 293.430 3.382 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255953862 806797111 /nfs/dbraw/zinc/79/71/11/806797111.db2.gz PZXRWXCMASXCTO-BQFCYCMXSA-N 3 1 295.515 3.231 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(F)c(F)cc1F ZINC000710828323 800040331 /nfs/dbraw/zinc/04/03/31/800040331.db2.gz IWUYZECRLWJWTM-UHFFFAOYSA-N 2 1 274.330 3.055 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCc1cccs1 ZINC001255964215 806802489 /nfs/dbraw/zinc/80/24/89/806802489.db2.gz PYAXSROVSQTXCL-AWEZNQCLSA-N 2 1 268.470 3.343 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000714758561 800128456 /nfs/dbraw/zinc/12/84/56/800128456.db2.gz JFQAILSNZFDADZ-UHFFFAOYSA-N 2 1 264.438 3.112 20 0 CGADMP Cc1ncccc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256071780 806810766 /nfs/dbraw/zinc/81/07/66/806810766.db2.gz OWAONXAJMKQLIA-GOSISDBHSA-N 2 1 285.435 3.058 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000718751429 800222097 /nfs/dbraw/zinc/22/20/97/800222097.db2.gz JSOBURVLEWQEEA-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CCN(C3CC3)CC2)cc1C ZINC001256082401 806816804 /nfs/dbraw/zinc/81/68/04/806816804.db2.gz ZGDHFFABPVAJIO-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C3CC3)CC2)cc1C ZINC001256082401 806816816 /nfs/dbraw/zinc/81/68/16/806816816.db2.gz ZGDHFFABPVAJIO-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C3CC3)CC2)cc1C ZINC001256082401 806816820 /nfs/dbraw/zinc/81/68/20/806816820.db2.gz ZGDHFFABPVAJIO-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723701380 800338568 /nfs/dbraw/zinc/33/85/68/800338568.db2.gz AADGGSBLZGLLJO-NEPJUHHUSA-N 2 1 284.350 3.020 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723923559 800343788 /nfs/dbraw/zinc/34/37/88/800343788.db2.gz WKWRROATQASHSC-XNRPHZJLSA-N 2 1 264.388 3.194 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900372 800344284 /nfs/dbraw/zinc/34/42/84/800344284.db2.gz BGDDJWDEEJWHFJ-JHJVBQTASA-N 2 1 266.816 3.318 20 0 CGADMP CSCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000725112285 800373122 /nfs/dbraw/zinc/37/31/22/800373122.db2.gz IAFBZUQQAGUECV-KRWDZBQOSA-N 2 1 292.492 3.370 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000824969662 800472656 /nfs/dbraw/zinc/47/26/56/800472656.db2.gz HTJHWKODCNZENV-AVGNSLFASA-N 2 1 293.282 3.280 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1cccc(OC)c1 ZINC001256169293 806841605 /nfs/dbraw/zinc/84/16/05/806841605.db2.gz JFALQWMMFYWOJC-MRXNPFEDSA-N 2 1 292.467 3.290 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](c2cccc(F)c2)C2CCC2)CC1 ZINC001256197943 806848183 /nfs/dbraw/zinc/84/81/83/806848183.db2.gz VUCPCPDXXXVSEP-QGZVFWFLSA-N 2 1 276.399 3.351 20 0 CGADMP C[NH+](C)Cc1cccc(CNc2ccc3[nH]c[nH+]c3c2)c1 ZINC001163999414 806871737 /nfs/dbraw/zinc/87/17/37/806871737.db2.gz VXFVLEUZOPWDEL-UHFFFAOYSA-N 2 1 280.375 3.237 20 0 CGADMP C[C@H](Cc1ccccn1)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001256405994 806884805 /nfs/dbraw/zinc/88/48/05/806884805.db2.gz RFQSBELFKWUENX-DLBZAZTESA-N 2 1 297.446 3.110 20 0 CGADMP Cc1ccc2c(C)cc(N(CCC[NH3+])C(C)C)[nH+]c2c1 ZINC001164121173 806896276 /nfs/dbraw/zinc/89/62/76/806896276.db2.gz GPMQZRGHNJJGAV-UHFFFAOYSA-N 2 1 271.408 3.415 20 0 CGADMP CCOC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001256437548 806899018 /nfs/dbraw/zinc/89/90/18/806899018.db2.gz SMHRPTNDQUBNBY-ZGRYLRDCSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C23CC(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256523477 806909495 /nfs/dbraw/zinc/90/94/95/806909495.db2.gz OWZFBLJCEHCSSI-CCGTUFIJSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C23CC(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256523477 806909499 /nfs/dbraw/zinc/90/94/99/806909499.db2.gz OWZFBLJCEHCSSI-CCGTUFIJSA-N 2 1 270.420 3.182 20 0 CGADMP CC[N@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536159 806910625 /nfs/dbraw/zinc/91/06/25/806910625.db2.gz FNEJLLFKGUHVIG-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CC[N@@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536159 806910630 /nfs/dbraw/zinc/91/06/30/806910630.db2.gz FNEJLLFKGUHVIG-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+](CCOC)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536159 806910632 /nfs/dbraw/zinc/91/06/32/806910632.db2.gz FNEJLLFKGUHVIG-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+](CCOC)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536159 806910636 /nfs/dbraw/zinc/91/06/36/806910636.db2.gz FNEJLLFKGUHVIG-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537521 806913110 /nfs/dbraw/zinc/91/31/10/806913110.db2.gz NTPJACLOHHWFNE-NVXWUHKLSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537521 806913113 /nfs/dbraw/zinc/91/31/13/806913113.db2.gz NTPJACLOHHWFNE-NVXWUHKLSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CC3CC(C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556729 806915098 /nfs/dbraw/zinc/91/50/98/806915098.db2.gz GLPRJBAEYSFSCX-HJZRJOMTSA-N 2 1 284.447 3.381 20 0 CGADMP C[N@@H+](CCc1cccs1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573962 806920786 /nfs/dbraw/zinc/92/07/86/806920786.db2.gz QSXDBBVMYZEIRC-UHFFFAOYSA-N 2 1 280.481 3.485 20 0 CGADMP COc1ccc2c[nH+]c(N3CCC[C@](C)(C[NH3+])CC3)cc2c1 ZINC001164249075 806922504 /nfs/dbraw/zinc/92/25/04/806922504.db2.gz URZLBLNPDROEFE-SFHVURJKSA-N 2 1 299.418 3.199 20 0 CGADMP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC001256613250 806925892 /nfs/dbraw/zinc/92/58/92/806925892.db2.gz KCDLTXHNAHKXII-AEFFLSMTSA-N 2 1 270.420 3.135 20 0 CGADMP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC001256613250 806925896 /nfs/dbraw/zinc/92/58/96/806925896.db2.gz KCDLTXHNAHKXII-AEFFLSMTSA-N 2 1 270.420 3.135 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256616521 806925937 /nfs/dbraw/zinc/92/59/37/806925937.db2.gz UNAPPYMLPMXOQO-HZTRTUMWSA-N 2 1 288.435 3.361 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001256628485 806932619 /nfs/dbraw/zinc/93/26/19/806932619.db2.gz GGWPAPUCQGDSNU-WFFDWFOESA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001256628485 806932623 /nfs/dbraw/zinc/93/26/23/806932623.db2.gz GGWPAPUCQGDSNU-WFFDWFOESA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001256628485 806932626 /nfs/dbraw/zinc/93/26/26/806932626.db2.gz GGWPAPUCQGDSNU-WFFDWFOESA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001256628485 806932630 /nfs/dbraw/zinc/93/26/30/806932630.db2.gz GGWPAPUCQGDSNU-WFFDWFOESA-N 2 1 285.435 3.152 20 0 CGADMP CCCC[N@@H+](CCC)C1CCC([NH+]2CCOCC2)CC1 ZINC001256694660 806950416 /nfs/dbraw/zinc/95/04/16/806950416.db2.gz CAEUUBGJKJXECQ-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)[C@@H]1C ZINC001116521177 802369211 /nfs/dbraw/zinc/36/92/11/802369211.db2.gz IGDQTPXWMHHCDO-LJIZCISZSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172382447 808275079 /nfs/dbraw/zinc/27/50/79/808275079.db2.gz LGKAJHCHGBBQJS-SQWLQELKSA-N 2 1 252.446 3.227 20 0 CGADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172430315 808308063 /nfs/dbraw/zinc/30/80/63/808308063.db2.gz GQSDYVFDSIKXAY-IXDOHACOSA-N 2 1 282.472 3.140 20 0 CGADMP CCOCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172430315 808308070 /nfs/dbraw/zinc/30/80/70/808308070.db2.gz GQSDYVFDSIKXAY-IXDOHACOSA-N 2 1 282.472 3.140 20 0 CGADMP CCOCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172430315 808308077 /nfs/dbraw/zinc/30/80/77/808308077.db2.gz GQSDYVFDSIKXAY-IXDOHACOSA-N 2 1 282.472 3.140 20 0 CGADMP CC(C)C[N@@H+]([C@@H](C)CCOC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172446031 808319823 /nfs/dbraw/zinc/31/98/23/808319823.db2.gz VGIBWVPLEDNSAK-ULQDDVLXSA-N 2 1 284.488 3.418 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001117745829 802485276 /nfs/dbraw/zinc/48/52/76/802485276.db2.gz XWRHIRBRWCJPKX-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001117745829 802485279 /nfs/dbraw/zinc/48/52/79/802485279.db2.gz XWRHIRBRWCJPKX-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001117745829 802485282 /nfs/dbraw/zinc/48/52/82/802485282.db2.gz XWRHIRBRWCJPKX-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001117745829 802485284 /nfs/dbraw/zinc/48/52/84/802485284.db2.gz XWRHIRBRWCJPKX-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP CC[C@@H]([NH2+]CCc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC001118059159 802521415 /nfs/dbraw/zinc/52/14/15/802521415.db2.gz PCBUZUQBQSNFIP-CABCVRRESA-N 2 1 284.806 3.142 20 0 CGADMP C1CC2(C1)CC([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256905379 807006320 /nfs/dbraw/zinc/00/63/20/807006320.db2.gz PIBDJEKXJCNBPA-CQSZACIVSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)CC([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256905379 807006325 /nfs/dbraw/zinc/00/63/25/807006325.db2.gz PIBDJEKXJCNBPA-CQSZACIVSA-N 2 1 262.441 3.316 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1C ZINC001205281341 812928691 /nfs/dbraw/zinc/92/86/91/812928691.db2.gz STTQJHOUINYQOF-KRWDZBQOSA-N 2 1 260.425 3.315 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)s1 ZINC001205280733 812929111 /nfs/dbraw/zinc/92/91/11/812929111.db2.gz HIOSDUWTZZZMOQ-CYBMUJFWSA-N 2 1 270.467 3.173 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC001205280591 812929314 /nfs/dbraw/zinc/92/93/14/812929314.db2.gz DANKEHYSOXCRKC-HNNXBMFYSA-N 2 1 268.351 3.328 20 0 CGADMP CCc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Cl ZINC001206810585 813444020 /nfs/dbraw/zinc/44/40/20/813444020.db2.gz ORTPLNXYFJLCQJ-JSGCOSHPSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Cl ZINC001206810585 813444023 /nfs/dbraw/zinc/44/40/23/813444023.db2.gz ORTPLNXYFJLCQJ-JSGCOSHPSA-N 2 1 280.843 3.462 20 0 CGADMP Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1F ZINC001137680024 803757699 /nfs/dbraw/zinc/75/76/99/803757699.db2.gz IDVXGEJKPSHRMH-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC001138434630 803935032 /nfs/dbraw/zinc/93/50/32/803935032.db2.gz UWMDQPQVMGJTCD-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC001138434630 803935037 /nfs/dbraw/zinc/93/50/37/803935037.db2.gz UWMDQPQVMGJTCD-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246077238 804115508 /nfs/dbraw/zinc/11/55/08/804115508.db2.gz QYPGZXXFVVKCEE-GJZGRUSLSA-N 2 1 278.827 3.449 20 0 CGADMP C[C@]1([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[NH2+]C1 ZINC001246097419 804129698 /nfs/dbraw/zinc/12/96/98/804129698.db2.gz OWWFFUWIFNVLBB-WFASDCNBSA-N 2 1 299.245 3.192 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246099006 804132112 /nfs/dbraw/zinc/13/21/12/804132112.db2.gz USIMEVYNEQAQKZ-DLBZAZTESA-N 2 1 260.425 3.130 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246103359 804136993 /nfs/dbraw/zinc/13/69/93/804136993.db2.gz HQUXSCVKDJHKBL-LALPHHSUSA-N 2 1 298.833 3.388 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246106414 804138474 /nfs/dbraw/zinc/13/84/74/804138474.db2.gz CVTISNKZIMIWQJ-XJKSGUPXSA-N 2 1 298.833 3.342 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139153345 804139748 /nfs/dbraw/zinc/13/97/48/804139748.db2.gz QIEWXOYPDVVJFD-WBVHZDCISA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001139153345 804139754 /nfs/dbraw/zinc/13/97/54/804139754.db2.gz QIEWXOYPDVVJFD-WBVHZDCISA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001139153345 804139766 /nfs/dbraw/zinc/13/97/66/804139766.db2.gz QIEWXOYPDVVJFD-WBVHZDCISA-N 2 1 297.446 3.045 20 0 CGADMP C1CCC2(CC1)CCC([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246110659 804141800 /nfs/dbraw/zinc/14/18/00/804141800.db2.gz NLCAFJYAMWYCFA-OAHLLOKOSA-N 2 1 250.430 3.221 20 0 CGADMP CCCCCC[C@H](CC)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246180126 804193479 /nfs/dbraw/zinc/19/34/79/804193479.db2.gz PNJABMITSQROGE-GJZGRUSLSA-N 2 1 258.425 3.417 20 0 CGADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246184655 804197199 /nfs/dbraw/zinc/19/71/99/804197199.db2.gz MOBOEQHELMIHHO-QGZVFWFLSA-N 3 1 295.515 3.153 20 0 CGADMP CCCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246184655 804197202 /nfs/dbraw/zinc/19/72/02/804197202.db2.gz MOBOEQHELMIHHO-QGZVFWFLSA-N 3 1 295.515 3.153 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246184655 804197206 /nfs/dbraw/zinc/19/72/06/804197206.db2.gz MOBOEQHELMIHHO-QGZVFWFLSA-N 3 1 295.515 3.153 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246190700 804199984 /nfs/dbraw/zinc/19/99/84/804199984.db2.gz RNIAIKPAKLEJBA-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)ccn2)CC1 ZINC001139562932 804210145 /nfs/dbraw/zinc/21/01/45/804210145.db2.gz SNWWAJKNCKWZSI-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246220548 804215074 /nfs/dbraw/zinc/21/50/74/804215074.db2.gz LHXOSXUHMYNNST-HZPDHXFCSA-N 2 1 296.405 3.232 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC001246221360 804216337 /nfs/dbraw/zinc/21/63/37/804216337.db2.gz NUXHWAVYESMMDK-VNHYZAJKSA-N 2 1 288.426 3.426 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)C[C@H]1C ZINC001246222850 804217140 /nfs/dbraw/zinc/21/71/40/804217140.db2.gz SIBWCEWSGDXXJS-YIYPIFLZSA-N 2 1 274.399 3.036 20 0 CGADMP c1ccc2cc(CC[NH2+][C@H]3CCCC[NH2+]C3)ccc2c1 ZINC001246233474 804226473 /nfs/dbraw/zinc/22/64/73/804226473.db2.gz KQNHPKOKJCECQM-SFHVURJKSA-N 2 1 268.404 3.114 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(F)c1 ZINC001246233726 804227435 /nfs/dbraw/zinc/22/74/35/804227435.db2.gz LPKQPXLVMWCYQJ-GOEBONIOSA-N 2 1 278.415 3.390 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC001246239354 804232671 /nfs/dbraw/zinc/23/26/71/804232671.db2.gz NAYIQMUVUIAJHO-IUODEOHRSA-N 2 1 278.827 3.102 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246263191 804244607 /nfs/dbraw/zinc/24/46/07/804244607.db2.gz BZOAXXOSYWEESS-RBUKOAKNSA-N 2 1 282.431 3.167 20 0 CGADMP [NH3+]CC1([NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCC1 ZINC001246287260 804259831 /nfs/dbraw/zinc/25/98/31/804259831.db2.gz NVYSFUYHVSTNOO-ZDUSSCGKSA-N 2 1 278.827 3.058 20 0 CGADMP [NH3+]CC1([NH2+]C2CCC3(CCCC3)CC2)CCCC1 ZINC001246285583 804260594 /nfs/dbraw/zinc/26/05/94/804260594.db2.gz HBRPTDHPZQIIMK-UHFFFAOYSA-N 2 1 250.430 3.351 20 0 CGADMP [NH3+][C@H](C[NH2+]C1CCCCCCC1)Cc1ccccc1 ZINC001246301036 804266839 /nfs/dbraw/zinc/26/68/39/804266839.db2.gz VLSTUBYONYFDCD-INIZCTEOSA-N 2 1 260.425 3.259 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001246299070 804267012 /nfs/dbraw/zinc/26/70/12/804267012.db2.gz IHWYPHPONAZODP-ADKAHSJRSA-N 2 1 274.452 3.361 20 0 CGADMP CCCCCC[C@H](CCCC)N[C@H]([NH3+])CCC[NH3+] ZINC001246302255 804268391 /nfs/dbraw/zinc/26/83/91/804268391.db2.gz XJHHLJJNQONKOT-GJZGRUSLSA-N 2 1 257.466 3.129 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246317075 804276932 /nfs/dbraw/zinc/27/69/32/804276932.db2.gz KIIYXBWDRJLPFQ-ZSHCYNCHSA-N 2 1 294.414 3.233 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246320587 804279610 /nfs/dbraw/zinc/27/96/10/804279610.db2.gz YRQDGZJDKPPONZ-PWSUYJOCSA-N 2 1 272.845 3.148 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246326539 804282085 /nfs/dbraw/zinc/28/20/85/804282085.db2.gz PWPGTQUQYLDVNR-SIXLDLHFSA-N 2 1 258.409 3.053 20 0 CGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246333050 804288215 /nfs/dbraw/zinc/28/82/15/804288215.db2.gz UDNSXDSJTGRTPR-XJKSGUPXSA-N 2 1 292.854 3.175 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001246348464 804297503 /nfs/dbraw/zinc/29/75/03/804297503.db2.gz WHCIKSXIWQMZCZ-DOMZBBRYSA-N 2 1 280.843 3.160 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c(F)c1F ZINC001246352668 804299418 /nfs/dbraw/zinc/29/94/18/804299418.db2.gz UCEBPHAHOGMJMV-RNJOBUHISA-N 2 1 282.378 3.453 20 0 CGADMP [NH3+]CC1([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CCC1 ZINC001246358246 804303742 /nfs/dbraw/zinc/30/37/42/804303742.db2.gz ZGZCQFCFQABYBF-HOTGVXAUSA-N 2 1 258.409 3.184 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CCC2)CC[NH2+]1 ZINC001246363937 804305628 /nfs/dbraw/zinc/30/56/28/804305628.db2.gz GMECKTMKLVGZDZ-KGLIPLIRSA-N 2 1 276.399 3.325 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CCC2)CC[NH2+]1 ZINC001246361224 804306309 /nfs/dbraw/zinc/30/63/09/804306309.db2.gz KDGOMLOWMHXPIP-STQMWFEESA-N 2 1 278.827 3.449 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](CC2CC2)c2ccccc2F)CC[NH2+]1 ZINC001246389996 804318379 /nfs/dbraw/zinc/31/83/79/804318379.db2.gz CMAPMDKTWZIHNB-SUYBPPKGSA-N 2 1 276.399 3.397 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC[NH2+]CC2)C1 ZINC001246432803 804331139 /nfs/dbraw/zinc/33/11/39/804331139.db2.gz YBFPMMVNOPAVOC-ZIAGYGMSSA-N 2 1 276.399 3.183 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246459246 804339866 /nfs/dbraw/zinc/33/98/66/804339866.db2.gz CVNFIAZHAOSGKF-SJLPKXTDSA-N 2 1 295.515 3.009 20 0 CGADMP CCCCCC[C@H](CCCC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246462772 804343400 /nfs/dbraw/zinc/34/34/00/804343400.db2.gz DDMRXFAKPLXCPN-BBWFWOEESA-N 2 1 284.488 3.482 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C1CC(C)C1 ZINC001140021763 804352165 /nfs/dbraw/zinc/35/21/65/804352165.db2.gz QTINZYINBJOXKR-UHFFFAOYSA-N 2 1 269.392 3.411 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C1CC(C)C1 ZINC001140021763 804352174 /nfs/dbraw/zinc/35/21/74/804352174.db2.gz QTINZYINBJOXKR-UHFFFAOYSA-N 2 1 269.392 3.411 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(Cl)c1 ZINC001246489272 804357681 /nfs/dbraw/zinc/35/76/81/804357681.db2.gz MXDHVLGMTRFCCS-VHSXEESVSA-N 2 1 258.768 3.128 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC001246504827 804365071 /nfs/dbraw/zinc/36/50/71/804365071.db2.gz UGEYUEQXTLOMLH-DOMZBBRYSA-N 2 1 268.832 3.234 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001246507609 804365103 /nfs/dbraw/zinc/36/51/03/804365103.db2.gz ZCFQWVCSVGLSEI-UHFFFAOYSA-N 2 1 296.405 3.319 20 0 CGADMP CNc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246505013 804365845 /nfs/dbraw/zinc/36/58/45/804365845.db2.gz KBWGURONKFCURK-RTBURBONSA-N 2 1 295.430 3.311 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545283 804392477 /nfs/dbraw/zinc/39/24/77/804392477.db2.gz ARNIYWJNPGUSAQ-TZMCWYRMSA-N 2 1 276.465 3.060 20 0 CGADMP C1C[C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]2C1 ZINC001246525165 804378650 /nfs/dbraw/zinc/37/86/50/804378650.db2.gz IIGTUHQUXSWXNX-GASCZTMLSA-N 2 1 262.441 3.031 20 0 CGADMP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CC12CC2 ZINC001246535085 804384049 /nfs/dbraw/zinc/38/40/49/804384049.db2.gz VPWAOERCKTWOMM-HUUCEWRRSA-N 2 1 262.441 3.303 20 0 CGADMP [NH3+][C@@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CC12CC2 ZINC001246535085 804384058 /nfs/dbraw/zinc/38/40/58/804384058.db2.gz VPWAOERCKTWOMM-HUUCEWRRSA-N 2 1 262.441 3.303 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001246539237 804388957 /nfs/dbraw/zinc/38/89/57/804388957.db2.gz FWAAYGOKGQALIE-NVXWUHKLSA-N 2 1 260.425 3.129 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545281 804392124 /nfs/dbraw/zinc/39/21/24/804392124.db2.gz ARNIYWJNPGUSAQ-JSGCOSHPSA-N 2 1 276.465 3.060 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246545612 804392905 /nfs/dbraw/zinc/39/29/05/804392905.db2.gz HCEYUUMXCSKCKT-CQSZACIVSA-N 2 1 270.420 3.138 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246547409 804397093 /nfs/dbraw/zinc/39/70/93/804397093.db2.gz IAHXSUFIROAOEP-XJKSGUPXSA-N 2 1 298.833 3.424 20 0 CGADMP c1ccc([C@H]2CCCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246549297 804399706 /nfs/dbraw/zinc/39/97/06/804399706.db2.gz JKKRNGJMAHPLRO-IAGOWNOFSA-N 2 1 258.409 3.356 20 0 CGADMP c1ccc([C@H]2CCCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246549297 804399711 /nfs/dbraw/zinc/39/97/11/804399711.db2.gz JKKRNGJMAHPLRO-IAGOWNOFSA-N 2 1 258.409 3.356 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001246552607 804403069 /nfs/dbraw/zinc/40/30/69/804403069.db2.gz QRZMCKSTYVFZII-YHUYYLMFSA-N 2 1 254.462 3.364 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CC3)CC2)CC[C@H]1C[NH3+] ZINC001246553807 804403748 /nfs/dbraw/zinc/40/37/48/804403748.db2.gz AEQUCNUSIJJDAQ-KGLIPLIRSA-N 2 1 250.430 3.016 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)CCc2ccc(C)cc2)C1 ZINC001246554044 804404163 /nfs/dbraw/zinc/40/41/63/804404163.db2.gz YQJMCJWEPHZZAW-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246554490 804404234 /nfs/dbraw/zinc/40/42/34/804404234.db2.gz VJUMAYQGOGWXOT-RHSMWYFYSA-N 2 1 292.854 3.401 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246554491 804404796 /nfs/dbraw/zinc/40/47/96/804404796.db2.gz VJUMAYQGOGWXOT-WMLDXEAASA-N 2 1 292.854 3.401 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001246556527 804405761 /nfs/dbraw/zinc/40/57/61/804405761.db2.gz HNRHVVSAWXKEAQ-QAPCUYQASA-N 2 1 292.442 3.333 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CCC1(F)F ZINC001246557086 804406568 /nfs/dbraw/zinc/40/65/68/804406568.db2.gz LAIKUALGHPVFTK-BZUAXINKSA-N 2 1 294.389 3.239 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CC[C@@H]1C[NH3+] ZINC001246558651 804407533 /nfs/dbraw/zinc/40/75/33/804407533.db2.gz NVJAWODRGTYTKZ-MRRJBJDNSA-N 2 1 292.854 3.114 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246560745 804409723 /nfs/dbraw/zinc/40/97/23/804409723.db2.gz SUUAUOWCMHKRQE-KRWDZBQOSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246560745 804409728 /nfs/dbraw/zinc/40/97/28/804409728.db2.gz SUUAUOWCMHKRQE-KRWDZBQOSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC3(CCOCC3)CC2)CC[C@@H]1C[NH3+] ZINC001246560643 804410670 /nfs/dbraw/zinc/41/06/70/804410670.db2.gz REHVMRDBDBYCNN-JKSUJKDBSA-N 2 1 294.483 3.033 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001246563464 804411976 /nfs/dbraw/zinc/41/19/76/804411976.db2.gz XBCKEUNUDIYFLK-SOLBZPMBSA-N 2 1 274.452 3.233 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C[C@H]1C ZINC001246563983 804413869 /nfs/dbraw/zinc/41/38/69/804413869.db2.gz YJZFOOMWDMMDPT-JKJDWNRSSA-N 2 1 252.446 3.118 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CSc3ccccc3C2)CCC[C@H]1C[NH3+] ZINC001246569077 804416518 /nfs/dbraw/zinc/41/65/18/804416518.db2.gz PTFPGZYVCSIBBF-VNQPRFMTSA-N 2 1 290.476 3.010 20 0 CGADMP Cc1cccc2c1C[N@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246569592 804417109 /nfs/dbraw/zinc/41/71/09/804417109.db2.gz WQHNANVBOFVTOQ-RDJZCZTQSA-N 2 1 272.436 3.477 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@H](C)C1 ZINC001246573032 804420279 /nfs/dbraw/zinc/42/02/79/804420279.db2.gz DWPTYVQVVXQPLQ-FMKPAKJESA-N 2 1 252.446 3.262 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246573001 804420854 /nfs/dbraw/zinc/42/08/54/804420854.db2.gz VNYKOHTXMOWMSF-VSZNYVQBSA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246573001 804420858 /nfs/dbraw/zinc/42/08/58/804420858.db2.gz VNYKOHTXMOWMSF-VSZNYVQBSA-N 2 1 290.426 3.474 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246582580 804426276 /nfs/dbraw/zinc/42/62/76/804426276.db2.gz NZWSCTSEAHTLIQ-CHWSQXEVSA-N 2 1 298.833 3.471 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@](C)(C[NH3+])CC1)CC2 ZINC001246582748 804426387 /nfs/dbraw/zinc/42/63/87/804426387.db2.gz SWHUSIPSMLCPTA-OALUTQOASA-N 2 1 286.463 3.303 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246585373 804427357 /nfs/dbraw/zinc/42/73/57/804427357.db2.gz JTROEPPWJKFHFC-FGTMMUONSA-N 2 1 292.442 3.405 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246585373 804427360 /nfs/dbraw/zinc/42/73/60/804427360.db2.gz JTROEPPWJKFHFC-FGTMMUONSA-N 2 1 292.442 3.405 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](C2CCC(c3ccccc3)CC2)CC[C@@H]1F ZINC001246585435 804429247 /nfs/dbraw/zinc/42/92/47/804429247.db2.gz KNYYWYLCKKLAPA-FOIPXRHGSA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@H]1CC[N@H+](C2CCC(c3ccccc3)CC2)CC[C@@H]1F ZINC001246585435 804429249 /nfs/dbraw/zinc/42/92/49/804429249.db2.gz KNYYWYLCKKLAPA-FOIPXRHGSA-N 2 1 290.426 3.474 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246590480 804433075 /nfs/dbraw/zinc/43/30/75/804433075.db2.gz JREPSUZUARXJIU-BZUAXINKSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246601764 804438723 /nfs/dbraw/zinc/43/87/23/804438723.db2.gz GRFFMJUDYUIXDC-AEFFLSMTSA-N 2 1 272.436 3.002 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C1 ZINC001246603642 804440473 /nfs/dbraw/zinc/44/04/73/804440473.db2.gz FKAZDYOQWJLIGQ-OAGGEKHMSA-N 2 1 250.430 3.173 20 0 CGADMP C1CSC[C@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001246611643 804446371 /nfs/dbraw/zinc/44/63/71/804446371.db2.gz VBLUMFATGWFWKZ-HZPDHXFCSA-N 2 1 282.497 3.128 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246612247 804447354 /nfs/dbraw/zinc/44/73/54/804447354.db2.gz HXVWOLWIORRZDR-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246614338 804448008 /nfs/dbraw/zinc/44/80/08/804448008.db2.gz RUDCLFWYTSCZCX-HOCLYGCPSA-N 2 1 284.513 3.372 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC001246617709 804452132 /nfs/dbraw/zinc/45/21/32/804452132.db2.gz DSKKEMWBBGBFIJ-GOEBONIOSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246619291 804453541 /nfs/dbraw/zinc/45/35/41/804453541.db2.gz KKYQHDIRXCIULP-FJIDUMEYSA-N 2 1 296.458 3.110 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246623610 804454913 /nfs/dbraw/zinc/45/49/13/804454913.db2.gz AWMBIEOANFNTGL-WMZOPIPTSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246623607 804455896 /nfs/dbraw/zinc/45/58/96/804455896.db2.gz AWMBIEOANFNTGL-AEFFLSMTSA-N 2 1 272.436 3.002 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246627860 804458366 /nfs/dbraw/zinc/45/83/66/804458366.db2.gz AOZUEHCJBNRLAL-XWTMOSNGSA-N 2 1 270.420 3.149 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[NH2+]3)CC2)C[C@H]1C ZINC001246626963 804458400 /nfs/dbraw/zinc/45/84/00/804458400.db2.gz VORILBNEWKIMRD-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP CCC1CCC([NH+]2CCC3(CCC[NH2+]3)CC2)CC1 ZINC001246628380 804459222 /nfs/dbraw/zinc/45/92/22/804459222.db2.gz YZWDMNXEYFCAGB-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246629718 804460730 /nfs/dbraw/zinc/46/07/30/804460730.db2.gz HKQLPTIABJUBKY-RBUKOAKNSA-N 2 1 286.463 3.329 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246633970 804464051 /nfs/dbraw/zinc/46/40/51/804464051.db2.gz YWZCWMUPQLBRFC-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246634833 804465783 /nfs/dbraw/zinc/46/57/83/804465783.db2.gz PKYMHVCGMKBNDJ-BZUAXINKSA-N 2 1 250.430 3.173 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246637176 804465896 /nfs/dbraw/zinc/46/58/96/804465896.db2.gz OWJATJMKHKEUKX-KURKYZTESA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246637176 804465902 /nfs/dbraw/zinc/46/59/02/804465902.db2.gz OWJATJMKHKEUKX-KURKYZTESA-N 2 1 270.420 3.151 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246636803 804466119 /nfs/dbraw/zinc/46/61/19/804466119.db2.gz WZDCZKZOLLCSPO-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)cc1 ZINC001246639440 804467937 /nfs/dbraw/zinc/46/79/37/804467937.db2.gz RMGRMFFKYQJDNQ-VLOYRQLPSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)cc1 ZINC001246639440 804467941 /nfs/dbraw/zinc/46/79/41/804467941.db2.gz RMGRMFFKYQJDNQ-VLOYRQLPSA-N 2 1 284.447 3.397 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001246643196 804470231 /nfs/dbraw/zinc/47/02/31/804470231.db2.gz RKLHDWFLRLSTCK-MRXNPFEDSA-N 2 1 272.436 3.144 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC23CC[NH2+]CC3)CC(C)(C)C1 ZINC001246643833 804470909 /nfs/dbraw/zinc/47/09/09/804470909.db2.gz VKKIDUKXVWJOGL-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644969 804471757 /nfs/dbraw/zinc/47/17/57/804471757.db2.gz SJFSFFGUYNEKMT-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644969 804471760 /nfs/dbraw/zinc/47/17/60/804471760.db2.gz SJFSFFGUYNEKMT-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC23CC[NH2+]CC3)C[C@@H]1C ZINC001246646201 804473482 /nfs/dbraw/zinc/47/34/82/804473482.db2.gz PACPLOQRUHFBIT-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246646432 804474364 /nfs/dbraw/zinc/47/43/64/804474364.db2.gz DYWGOXRKUQCSEN-CRAIPNDOSA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246646432 804474368 /nfs/dbraw/zinc/47/43/68/804474368.db2.gz DYWGOXRKUQCSEN-CRAIPNDOSA-N 2 1 272.436 3.008 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001246649940 804477065 /nfs/dbraw/zinc/47/70/65/804477065.db2.gz RZODZQRIAQCXKV-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP C1=CC2(CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c2ccccc21 ZINC001246648932 804477723 /nfs/dbraw/zinc/47/77/23/804477723.db2.gz UPQYFXUZYIACKZ-QGZVFWFLSA-N 2 1 282.431 3.189 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653242 804478652 /nfs/dbraw/zinc/47/86/52/804478652.db2.gz RPUCEKPQAZTAGM-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653242 804478655 /nfs/dbraw/zinc/47/86/55/804478655.db2.gz RPUCEKPQAZTAGM-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@H]4CCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246656158 804480107 /nfs/dbraw/zinc/48/01/07/804480107.db2.gz MNEJXIDPPNIWJZ-UAFMIMERSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@H]4CCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246656158 804480111 /nfs/dbraw/zinc/48/01/11/804480111.db2.gz MNEJXIDPPNIWJZ-UAFMIMERSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)C2)cc1 ZINC001246654483 804480451 /nfs/dbraw/zinc/48/04/51/804480451.db2.gz DRHUZRDNDUVHHN-TVFCKZIOSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@]23CCC[NH2+]C3)C1 ZINC001246654186 804480772 /nfs/dbraw/zinc/48/07/72/804480772.db2.gz VNXMPKVBHNJTNV-BZUAXINKSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246662761 804485106 /nfs/dbraw/zinc/48/51/06/804485106.db2.gz UQXLGTABLLFGAM-YHUYYLMFSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246662761 804485108 /nfs/dbraw/zinc/48/51/08/804485108.db2.gz UQXLGTABLLFGAM-YHUYYLMFSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246661714 804485417 /nfs/dbraw/zinc/48/54/17/804485417.db2.gz GLAJBEGNMWIICI-IXYNUQLISA-N 2 1 250.430 3.014 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246670034 804488071 /nfs/dbraw/zinc/48/80/71/804488071.db2.gz UTTNGDPHGGBUJW-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246669530 804488394 /nfs/dbraw/zinc/48/83/94/804488394.db2.gz BDWSGVXNZYQRQF-KZNAEPCWSA-N 2 1 272.436 3.082 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246675890 804490352 /nfs/dbraw/zinc/49/03/52/804490352.db2.gz YVJKZBVXSAVLCU-CGTJXYLNSA-N 2 1 272.436 3.038 20 0 CGADMP C1CCC([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246676533 804491418 /nfs/dbraw/zinc/49/14/18/804491418.db2.gz CBFJYZZLEYFGBA-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246676173 804491477 /nfs/dbraw/zinc/49/14/77/804491477.db2.gz AJMBSQRUYNDIHZ-NCOADZHNSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246677908 804492936 /nfs/dbraw/zinc/49/29/36/804492936.db2.gz AGKLJJSYCJNQGK-KRWDZBQOSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246680783 804494796 /nfs/dbraw/zinc/49/47/96/804494796.db2.gz LFNOGNJVSJIVHA-ZOBUZTSGSA-N 2 1 258.409 3.272 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246683388 804496080 /nfs/dbraw/zinc/49/60/80/804496080.db2.gz IRVQVWOGLWPSEO-XMTFNYHQSA-N 2 1 294.483 3.188 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246690645 804497014 /nfs/dbraw/zinc/49/70/14/804497014.db2.gz KYBIPEPOZMBTIR-HZPDHXFCSA-N 2 1 268.420 3.123 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692184 804499372 /nfs/dbraw/zinc/49/93/72/804499372.db2.gz MZOFIMHQMBGUFA-ARFHVFGLSA-N 2 1 270.436 3.225 20 0 CGADMP c1ccc(C2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246692001 804499796 /nfs/dbraw/zinc/49/97/96/804499796.db2.gz SSRPSMIFZRKYOK-KRWDZBQOSA-N 2 1 258.409 3.008 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246767847 804500650 /nfs/dbraw/zinc/50/06/50/804500650.db2.gz CKXJLBNYQXKFMR-ZWKOTPCHSA-N 2 1 272.436 3.349 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)C[C@H](CC)[NH2+]1 ZINC001246726425 804501310 /nfs/dbraw/zinc/50/13/10/804501310.db2.gz DDGAHNYDKHDMOE-SFFUCWETSA-N 2 1 294.483 3.044 20 0 CGADMP COc1ccccc1C[N@H+](C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246770229 804502291 /nfs/dbraw/zinc/50/22/91/804502291.db2.gz NSJZXAHKWJSXFJ-DOTOQJQBSA-N 2 1 290.451 3.294 20 0 CGADMP COc1ccccc1C[N@@H+](C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246770229 804502295 /nfs/dbraw/zinc/50/22/95/804502295.db2.gz NSJZXAHKWJSXFJ-DOTOQJQBSA-N 2 1 290.451 3.294 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246771038 804502361 /nfs/dbraw/zinc/50/23/61/804502361.db2.gz VSDDUGBGJAVUMW-ZSHCYNCHSA-N 2 1 278.827 3.445 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccc2ccccc21 ZINC001246773359 804504639 /nfs/dbraw/zinc/50/46/39/804504639.db2.gz BMQXEEYVPOPTCL-AWEZNQCLSA-N 2 1 256.393 3.270 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246771262 804504648 /nfs/dbraw/zinc/50/46/48/804504648.db2.gz XTXQOAHHGUCOKF-BJWYYQGGSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246771262 804504653 /nfs/dbraw/zinc/50/46/53/804504653.db2.gz XTXQOAHHGUCOKF-BJWYYQGGSA-N 2 1 290.451 3.436 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246774735 804504735 /nfs/dbraw/zinc/50/47/35/804504735.db2.gz GNVJQMACHGAXIJ-DLBZAZTESA-N 2 1 260.425 3.429 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246773631 804505022 /nfs/dbraw/zinc/50/50/22/804505022.db2.gz BVVVPSIVUFGVFK-SZMVWBNQSA-N 2 1 272.436 3.082 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246774482 804505272 /nfs/dbraw/zinc/50/52/72/804505272.db2.gz GERVQQHWHAZRJZ-OTWHNJEPSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@H](c3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246779248 804505902 /nfs/dbraw/zinc/50/59/02/804505902.db2.gz QXCSGBRPHFSCTL-INMHGKMJSA-N 2 1 272.436 3.395 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246789728 804512789 /nfs/dbraw/zinc/51/27/89/804512789.db2.gz YKDXDVNGCYWBSQ-WBVHZDCISA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246789728 804512791 /nfs/dbraw/zinc/51/27/91/804512791.db2.gz YKDXDVNGCYWBSQ-WBVHZDCISA-N 2 1 288.435 3.048 20 0 CGADMP Fc1ccccc1[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246791123 804515892 /nfs/dbraw/zinc/51/58/92/804515892.db2.gz XQNHHLFIBXZGJT-INIZCTEOSA-N 2 1 262.372 3.105 20 0 CGADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC001246791123 804515899 /nfs/dbraw/zinc/51/58/99/804515899.db2.gz XQNHHLFIBXZGJT-INIZCTEOSA-N 2 1 262.372 3.105 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@H]2C)CC[NH2+]1 ZINC001246792279 804516004 /nfs/dbraw/zinc/51/60/04/804516004.db2.gz UHYZCIULRFSFGY-ZJIFWQFVSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@@H+](CCc1cccs1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246796906 804519938 /nfs/dbraw/zinc/51/99/38/804519938.db2.gz NTNQZGKDDOWWTG-HIFRSBDPSA-N 2 1 280.481 3.389 20 0 CGADMP FC(F)(F)C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802253 804521737 /nfs/dbraw/zinc/52/17/37/804521737.db2.gz SDNKTFDJNCSNIV-UHFFFAOYSA-N 2 1 283.297 3.337 20 0 CGADMP C[N@H+](CCc1ccccc1F)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805566 804522837 /nfs/dbraw/zinc/52/28/37/804522837.db2.gz JFNFMPOOFAZCCM-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP C[N@@H+](CCc1ccccc1F)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805566 804522840 /nfs/dbraw/zinc/52/28/40/804522840.db2.gz JFNFMPOOFAZCCM-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC001246810097 804526664 /nfs/dbraw/zinc/52/66/64/804526664.db2.gz MOOYGQSSKJHJHS-MCIONIFRSA-N 2 1 278.827 3.270 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001246812005 804528071 /nfs/dbraw/zinc/52/80/71/804528071.db2.gz BRUBYIZSLXSGDI-QGZVFWFLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246812444 804528828 /nfs/dbraw/zinc/52/88/28/804528828.db2.gz DFMMGCBYXAUAFK-ZWKOTPCHSA-N 2 1 274.452 3.246 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246814439 804529895 /nfs/dbraw/zinc/52/98/95/804529895.db2.gz PEQVHCJHVTUKHS-OALUTQOASA-N 2 1 286.463 3.392 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246815587 804532516 /nfs/dbraw/zinc/53/25/16/804532516.db2.gz YSKABYJMVUFEFZ-OAHLLOKOSA-N 2 1 280.843 3.345 20 0 CGADMP C1CC2(C1)CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246829548 804540966 /nfs/dbraw/zinc/54/09/66/804540966.db2.gz LKFZQEPADACQLX-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246838501 804545735 /nfs/dbraw/zinc/54/57/35/804545735.db2.gz CQBSFIGYYHLJRN-CVEARBPZSA-N 2 1 264.388 3.178 20 0 CGADMP COCCC[N@@H+](C1CC[NH2+]CC1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246838647 804546754 /nfs/dbraw/zinc/54/67/54/804546754.db2.gz ZLNVOGIBUJDTTG-WBVHZDCISA-N 2 1 296.499 3.292 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246837502 804546819 /nfs/dbraw/zinc/54/68/19/804546819.db2.gz USYFTDKTVQYIAM-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246838557 804546833 /nfs/dbraw/zinc/54/68/33/804546833.db2.gz CVUQTDIQVGPSDG-HNNXBMFYSA-N 2 1 278.827 3.304 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246842190 804549800 /nfs/dbraw/zinc/54/98/00/804549800.db2.gz XBUXWVIZKASQQQ-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840774 804550327 /nfs/dbraw/zinc/55/03/27/804550327.db2.gz KLZVJXWMCPKFFH-FCGDIQPGSA-N 2 1 286.463 3.457 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246841251 804550960 /nfs/dbraw/zinc/55/09/60/804550960.db2.gz NLQZIFOKFRMGLD-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246844331 804551877 /nfs/dbraw/zinc/55/18/77/804551877.db2.gz IWETXJUAVJBGKS-RYUDHWBXSA-N 2 1 284.806 3.223 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246844338 804551986 /nfs/dbraw/zinc/55/19/86/804551986.db2.gz IWUPNBIXRUGCKN-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246844410 804552562 /nfs/dbraw/zinc/55/25/62/804552562.db2.gz JAMIXJYMMAIEMN-IPMKNSEASA-N 2 1 286.463 3.185 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246845197 804553750 /nfs/dbraw/zinc/55/37/50/804553750.db2.gz LMILVOZLNDYTSR-KBPBESRZSA-N 2 1 260.425 3.210 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)C[C@H]2CC2(C)C)C[C@@H](CC)[NH2+]1 ZINC001246847317 804555376 /nfs/dbraw/zinc/55/53/76/804555376.db2.gz SWXHINZKHSQRTG-MGPQQGTHSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246846769 804556356 /nfs/dbraw/zinc/55/63/56/804556356.db2.gz QYUITKZLEPSXFE-ZSHCYNCHSA-N 2 1 278.827 3.445 20 0 CGADMP C1CCC2(C1)CCC([N@@H+]1C[C@H]3C[NH2+]CC[C@@H]3C1)CC2 ZINC001246847718 804557382 /nfs/dbraw/zinc/55/73/82/804557382.db2.gz RTTHYGFVFOEHRM-HUUCEWRRSA-N 2 1 262.441 3.031 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001246849436 804560585 /nfs/dbraw/zinc/56/05/85/804560585.db2.gz RFQNVEPAXPABFX-CVEARBPZSA-N 2 1 292.492 3.407 20 0 CGADMP c1ccc(C2CCC([N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246849238 804560657 /nfs/dbraw/zinc/56/06/57/804560657.db2.gz ZCVQAWAABWKEHR-QGLXBCBXSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246859685 804566534 /nfs/dbraw/zinc/56/65/34/804566534.db2.gz MOJBZLUUKBNWQT-BFYDXBDKSA-N 2 1 298.434 3.047 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246865095 804568818 /nfs/dbraw/zinc/56/88/18/804568818.db2.gz WFAOUNOGQYXPRX-BJWYYQGGSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCOC3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246865095 804568822 /nfs/dbraw/zinc/56/88/22/804568822.db2.gz WFAOUNOGQYXPRX-BJWYYQGGSA-N 2 1 294.483 3.331 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246866509 804570364 /nfs/dbraw/zinc/57/03/64/804570364.db2.gz VAXGUBAZZNQYDG-STQMWFEESA-N 2 1 264.388 3.177 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2CCC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC001246871327 804573250 /nfs/dbraw/zinc/57/32/50/804573250.db2.gz QBPRBLIBSGZQRK-BBRMVZONSA-N 2 1 292.854 3.444 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246875442 804574280 /nfs/dbraw/zinc/57/42/80/804574280.db2.gz VXFQPBBSTQIMBY-QZTJIDSGSA-N 2 1 295.515 3.090 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246875234 804574985 /nfs/dbraw/zinc/57/49/85/804574985.db2.gz ZIYLBHCWBUOFNS-ZWKOTPCHSA-N 2 1 295.515 3.233 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880171 804576223 /nfs/dbraw/zinc/57/62/23/804576223.db2.gz HQNCGYKSSFYJBA-IRXDYDNUSA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880171 804576227 /nfs/dbraw/zinc/57/62/27/804576227.db2.gz HQNCGYKSSFYJBA-IRXDYDNUSA-N 2 1 290.426 3.351 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2C[C@@H](C)CC23CC3)C[C@H](CC)[NH2+]1 ZINC001246894405 804585144 /nfs/dbraw/zinc/58/51/44/804585144.db2.gz NOKJCQWROMHASU-BYNSBNAKSA-N 2 1 250.430 3.170 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2c(C)cccc2C1 ZINC001246896228 804586247 /nfs/dbraw/zinc/58/62/47/804586247.db2.gz VYEJVYPYUZHPIY-GOSISDBHSA-N 2 1 286.463 3.316 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001246898121 804586560 /nfs/dbraw/zinc/58/65/60/804586560.db2.gz AFWHYNKYXBASHJ-DYVFJYSZSA-N 2 1 271.408 3.303 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC001246907944 804591896 /nfs/dbraw/zinc/59/18/96/804591896.db2.gz KLQTVFIHSMEZSP-PIIMJCKOSA-N 2 1 272.436 3.408 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246910886 804594611 /nfs/dbraw/zinc/59/46/11/804594611.db2.gz DTFOYNLMBVVPRO-FOLVSLTJSA-N 2 1 250.430 3.170 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246910561 804595562 /nfs/dbraw/zinc/59/55/62/804595562.db2.gz UWZNZPLKFQUMEA-GJZGRUSLSA-N 2 1 260.425 3.346 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001246914074 804596186 /nfs/dbraw/zinc/59/61/86/804596186.db2.gz YRSQLGDGZZGQTP-ZQDZILKHSA-N 2 1 252.446 3.403 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CSc3ccccc3C2)CC1 ZINC001246918635 804600846 /nfs/dbraw/zinc/60/08/46/804600846.db2.gz LNHWILARWJZRIX-UYSNPLJNSA-N 2 1 290.476 3.166 20 0 CGADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1C1CCCCCCC1 ZINC001246930548 804604934 /nfs/dbraw/zinc/60/49/34/804604934.db2.gz KJQAURRRVFAROS-GASCZTMLSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1c(F)cccc1Cl ZINC001246934411 804606524 /nfs/dbraw/zinc/60/65/24/804606524.db2.gz DVRBJJVSTSRXJC-QWHCGFSZSA-N 2 1 298.833 3.342 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)C1CCSCC1 ZINC001246931391 804607595 /nfs/dbraw/zinc/60/75/95/804607595.db2.gz BBQJVOBRICSOSK-AWEZNQCLSA-N 2 1 282.497 3.126 20 0 CGADMP c1ccc2c(c1)CC([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)C2 ZINC001246936693 804609209 /nfs/dbraw/zinc/60/92/09/804609209.db2.gz XWRKDFXYWGZCGI-MRXNPFEDSA-N 2 1 298.474 3.398 20 0 CGADMP COc1cccc(C2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246941577 804612364 /nfs/dbraw/zinc/61/23/64/804612364.db2.gz LZBZUUOGMGYJAM-KRWDZBQOSA-N 2 1 288.435 3.017 20 0 CGADMP CC[C@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246952042 804616115 /nfs/dbraw/zinc/61/61/15/804616115.db2.gz QWUBBEOEUPJGJS-AWEZNQCLSA-N 2 1 278.415 3.487 20 0 CGADMP CC[C@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246959968 804618390 /nfs/dbraw/zinc/61/83/90/804618390.db2.gz KIJIKVXPIDMQAY-AWEZNQCLSA-N 2 1 278.415 3.487 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](Cc1cccc(C)c1C)C1CC1 ZINC001246968504 804621278 /nfs/dbraw/zinc/62/12/78/804621278.db2.gz QHDHSLMUGONCEC-AWEZNQCLSA-N 2 1 260.425 3.266 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246972511 804621965 /nfs/dbraw/zinc/62/19/65/804621965.db2.gz JYQOYRBSRARPCD-ZIAGYGMSSA-N 2 1 284.513 3.371 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CC2 ZINC001246975593 804623612 /nfs/dbraw/zinc/62/36/12/804623612.db2.gz MABALKIUKKSFOH-FQEVSTJZSA-N 2 1 298.474 3.459 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246973066 804624411 /nfs/dbraw/zinc/62/44/11/804624411.db2.gz FFNHSMVUYYZNPZ-CQSZACIVSA-N 2 1 290.426 3.363 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246973402 804624797 /nfs/dbraw/zinc/62/47/97/804624797.db2.gz HOUFLKZFWQCJSS-RDGPPVDQSA-N 2 1 286.463 3.457 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2c(C)cccc2C1 ZINC001246978531 804625878 /nfs/dbraw/zinc/62/58/78/804625878.db2.gz VWLYNSANCTYXEB-WMZOPIPTSA-N 2 1 286.463 3.174 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246979812 804627256 /nfs/dbraw/zinc/62/72/56/804627256.db2.gz DIQLNTUMRCCUNT-VHSXEESVSA-N 2 1 275.223 3.203 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](C)[NH3+] ZINC001246979812 804627264 /nfs/dbraw/zinc/62/72/64/804627264.db2.gz DIQLNTUMRCCUNT-VHSXEESVSA-N 2 1 275.223 3.203 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246981068 804627422 /nfs/dbraw/zinc/62/74/22/804627422.db2.gz UDRNMXHPWWGNNV-MOPGFXCFSA-N 2 1 298.474 3.473 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246989798 804629735 /nfs/dbraw/zinc/62/97/35/804629735.db2.gz HOJSWRCMMORRCM-CXAGYDPISA-N 2 1 292.854 3.129 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013143 804641368 /nfs/dbraw/zinc/64/13/68/804641368.db2.gz FZMULPPMANLYFB-QRVBRYPASA-N 2 1 286.463 3.472 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247015212 804643034 /nfs/dbraw/zinc/64/30/34/804643034.db2.gz NKAXISPYISSLII-KFKAGJAMSA-N 2 1 286.463 3.254 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247016511 804644439 /nfs/dbraw/zinc/64/44/39/804644439.db2.gz WKLXIOVIEZYCMN-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247016511 804644444 /nfs/dbraw/zinc/64/44/44/804644444.db2.gz WKLXIOVIEZYCMN-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247017092 804644607 /nfs/dbraw/zinc/64/46/07/804644607.db2.gz ZMHVCNKCSKATNR-UKPHBRMFSA-N 2 1 292.854 3.345 20 0 CGADMP Cc1c2[nH+]c[nH]c2ccc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165279850 806986036 /nfs/dbraw/zinc/98/60/36/806986036.db2.gz ZWAQJEBRLSQLTB-CYBMUJFWSA-N 2 1 272.396 3.015 20 0 CGADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cccc3ccccc32)no1 ZINC001247692843 804797421 /nfs/dbraw/zinc/79/74/21/804797421.db2.gz HXGGDGBNBJZNEJ-HNNXBMFYSA-N 2 1 296.374 3.019 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)CC3CC[NH+](C)CC3)cccc2n1 ZINC001248564933 804953258 /nfs/dbraw/zinc/95/32/58/804953258.db2.gz DIEGQTUOKVIOTQ-UHFFFAOYSA-N 2 1 297.446 3.317 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC001257100498 807051343 /nfs/dbraw/zinc/05/13/43/807051343.db2.gz XGPVOZGFRBVRCC-RZFLPCETSA-N 2 1 294.483 3.281 20 0 CGADMP F[C@]1(CNc2[nH+]ccc3ccccc32)CCCC[NH2+]C1 ZINC001155115811 805541433 /nfs/dbraw/zinc/54/14/33/805541433.db2.gz VQZHGEIERBTYBM-MRXNPFEDSA-N 2 1 273.355 3.129 20 0 CGADMP c1cc(N2CCC([N@H+]3CC[C@H]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC001256856334 806992767 /nfs/dbraw/zinc/99/27/67/806992767.db2.gz FQZJVJHIDMJGRT-HZPDHXFCSA-N 2 1 285.435 3.172 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC001257222152 807066240 /nfs/dbraw/zinc/06/62/40/807066240.db2.gz UGRUGLVQFSPSDX-OAHLLOKOSA-N 2 1 272.436 3.306 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC001257222152 807066247 /nfs/dbraw/zinc/06/62/47/807066247.db2.gz UGRUGLVQFSPSDX-OAHLLOKOSA-N 2 1 272.436 3.306 20 0 CGADMP CCC[C@@H](CC)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001257259601 807075190 /nfs/dbraw/zinc/07/51/90/807075190.db2.gz NQYAXUVPVKSXGC-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H](CC)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001257259601 807075199 /nfs/dbraw/zinc/07/51/99/807075199.db2.gz NQYAXUVPVKSXGC-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H](CC)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001257259601 807075206 /nfs/dbraw/zinc/07/52/06/807075206.db2.gz NQYAXUVPVKSXGC-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H](CC)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001257259601 807075212 /nfs/dbraw/zinc/07/52/12/807075212.db2.gz NQYAXUVPVKSXGC-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CCC(CC)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257291736 807089262 /nfs/dbraw/zinc/08/92/62/807089262.db2.gz UDDIRDAOAYOGST-CZIWCDLHSA-N 2 1 275.440 3.342 20 0 CGADMP CCCC(CCC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001257341372 807115661 /nfs/dbraw/zinc/11/56/61/807115661.db2.gz ZRUHYBQFPHKMGU-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001257439401 807157271 /nfs/dbraw/zinc/15/72/71/807157271.db2.gz GBQKOYMKXDDEFN-CQSZACIVSA-N 2 1 250.430 3.125 20 0 CGADMP CCCCCC(CCCCC)[NH2+]CCC[N@@H+](C)CCO ZINC001257551122 807196513 /nfs/dbraw/zinc/19/65/13/807196513.db2.gz CPQUVLFVIIFMAK-UHFFFAOYSA-N 2 1 286.504 3.419 20 0 CGADMP CC1(C)CC([NH3+])CC(C)(C)N1c1cc(OC(F)F)cc[nH+]1 ZINC001167626600 807218777 /nfs/dbraw/zinc/21/87/77/807218777.db2.gz OSXRMCYZNRPUNN-UHFFFAOYSA-N 2 1 299.365 3.168 20 0 CGADMP Cc1cc[nH+]c(C)c1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167753557 807242481 /nfs/dbraw/zinc/24/24/81/807242481.db2.gz PQFOPCSMSAULKG-AWEZNQCLSA-N 2 1 261.413 3.375 20 0 CGADMP Cc1cc[nH+]c(C)c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167753557 807242486 /nfs/dbraw/zinc/24/24/86/807242486.db2.gz PQFOPCSMSAULKG-AWEZNQCLSA-N 2 1 261.413 3.375 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1C(C)(C)OC ZINC001167827475 807256154 /nfs/dbraw/zinc/25/61/54/807256154.db2.gz WOUICTNIQDWBAA-HZPDHXFCSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OC ZINC001167828012 807257158 /nfs/dbraw/zinc/25/71/58/807257158.db2.gz VISRWHXLVZOQFL-ZJPYXAASSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001167836826 807258449 /nfs/dbraw/zinc/25/84/49/807258449.db2.gz HSUFNEXINPIJIT-CYBMUJFWSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncsc2C1 ZINC001167837498 807259459 /nfs/dbraw/zinc/25/94/59/807259459.db2.gz LNODXVWEPQJDJG-ZDUSSCGKSA-N 2 1 281.469 3.012 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC(c2ccccc2)CC1 ZINC001257994489 807260423 /nfs/dbraw/zinc/26/04/23/807260423.db2.gz NHAFELZBWFVHLS-OOHWJJMZSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C2CCC2)C2CCOCC2)CC1 ZINC001258020763 807268345 /nfs/dbraw/zinc/26/83/45/807268345.db2.gz ZHTKMAJSVLXZRG-UHFFFAOYSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)(C)C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167916114 807274265 /nfs/dbraw/zinc/27/42/65/807274265.db2.gz FQOBKPWMENJLAT-LUNDOBRRSA-N 2 1 264.457 3.403 20 0 CGADMP C[C@H]1CC[C@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982051 807289884 /nfs/dbraw/zinc/28/98/84/807289884.db2.gz UUCHBXMTEGVBIN-MELXAWMUSA-N 2 1 276.468 3.416 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC13CCCC3)C2 ZINC001167972705 807290211 /nfs/dbraw/zinc/29/02/11/807290211.db2.gz ABXPZAXUVUUOAA-NPYXIHBLSA-N 2 1 274.452 3.314 20 0 CGADMP c1ccc(C2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167994944 807294435 /nfs/dbraw/zinc/29/44/35/807294435.db2.gz QYNDPRKMCDWSMK-YOFSQIOKSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc(C2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167994944 807294442 /nfs/dbraw/zinc/29/44/42/807294442.db2.gz QYNDPRKMCDWSMK-YOFSQIOKSA-N 2 1 296.458 3.491 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258086889 807299701 /nfs/dbraw/zinc/29/97/01/807299701.db2.gz ZCVORDXVTUZXAH-JYJNAYRXSA-N 2 1 280.456 3.092 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258095269 807303802 /nfs/dbraw/zinc/30/38/02/807303802.db2.gz ZMXUCLSULAMDDY-OAHLLOKOSA-N 2 1 252.446 3.395 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258095268 807304255 /nfs/dbraw/zinc/30/42/55/807304255.db2.gz ZMXUCLSULAMDDY-HNNXBMFYSA-N 2 1 252.446 3.395 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258095389 807304712 /nfs/dbraw/zinc/30/47/12/807304712.db2.gz FPAXRQFSIPLZIH-YESZJQIVSA-N 2 1 264.457 3.395 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258095389 807304720 /nfs/dbraw/zinc/30/47/20/807304720.db2.gz FPAXRQFSIPLZIH-YESZJQIVSA-N 2 1 264.457 3.395 20 0 CGADMP C[C@H]1CC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@H](C)C1 ZINC001258166723 807332537 /nfs/dbraw/zinc/33/25/37/807332537.db2.gz YXDUISLDWZDQSQ-HUUCEWRRSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001168188715 807340904 /nfs/dbraw/zinc/34/09/04/807340904.db2.gz MXIMLUWQZFKVRD-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001168188715 807340914 /nfs/dbraw/zinc/34/09/14/807340914.db2.gz MXIMLUWQZFKVRD-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001168188715 807340919 /nfs/dbraw/zinc/34/09/19/807340919.db2.gz MXIMLUWQZFKVRD-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP CSCC[C@@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001258225225 807374763 /nfs/dbraw/zinc/37/47/63/807374763.db2.gz SQVYEWQMTMLNKC-CQSZACIVSA-N 2 1 293.480 3.090 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168313745 807379901 /nfs/dbraw/zinc/37/99/01/807379901.db2.gz GRWVOISDXAWKBF-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001168315785 807380731 /nfs/dbraw/zinc/38/07/31/807380731.db2.gz OWEKEMWZTKLJNQ-OFLPRAFFSA-N 2 1 273.424 3.091 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001168315098 807380784 /nfs/dbraw/zinc/38/07/84/807380784.db2.gz RSLUQGMTWXDOIX-NRXISQOPSA-N 2 1 256.409 3.073 20 0 CGADMP [NH3+]C1(c2cccnc2)CC[NH+](C2CCCCCCC2)CC1 ZINC001258237134 807383198 /nfs/dbraw/zinc/38/31/98/807383198.db2.gz BBAVZXLDWAGSDX-UHFFFAOYSA-N 2 1 287.451 3.444 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001168322770 807383597 /nfs/dbraw/zinc/38/35/97/807383597.db2.gz HOYJFPXTLJGOFU-HTWSVDAQSA-N 2 1 288.435 3.013 20 0 CGADMP C[C@@H]1C(=O)CC[N@@H+](C2CCC([NH+](C)C)CC2)C12CCCC2 ZINC001168329993 807387014 /nfs/dbraw/zinc/38/70/14/807387014.db2.gz MFVTWRRFQDTHQJ-QQFBHYJXSA-N 2 1 292.467 3.083 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)C2CCC([NH+](C)C)CC2)CC1 ZINC001168329789 807387091 /nfs/dbraw/zinc/38/70/91/807387091.db2.gz IIXAOCGGHYVGNR-OIBGERBOSA-N 2 1 252.446 3.370 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168334794 807387995 /nfs/dbraw/zinc/38/79/95/807387995.db2.gz WZEMGQKUTICNPT-SIWZUTFBSA-N 2 1 278.827 3.399 20 0 CGADMP [NH3+][C@H]1CC[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168334794 807388002 /nfs/dbraw/zinc/38/80/02/807388002.db2.gz WZEMGQKUTICNPT-SIWZUTFBSA-N 2 1 278.827 3.399 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C2 ZINC001258274247 807388617 /nfs/dbraw/zinc/38/86/17/807388617.db2.gz PZNGHNDTKFYCET-XQLPTFJDSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC001168351374 807390386 /nfs/dbraw/zinc/39/03/86/807390386.db2.gz RBXYWWSEXLIXBS-ZDUSSCGKSA-N 2 1 276.399 3.351 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353501 807390738 /nfs/dbraw/zinc/39/07/38/807390738.db2.gz PLWWKAUMOBGJHK-CQSZACIVSA-N 2 1 288.435 3.220 20 0 CGADMP CCC[N@H+]([C@@H](C)CC)C1CC[NH+](CC2CC2)CC1 ZINC001168371565 807397357 /nfs/dbraw/zinc/39/73/57/807397357.db2.gz OEGCOZBUUGDWAL-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[N@@H+]([C@@H](C)CC)C1CC[NH+](CC2CC2)CC1 ZINC001168371565 807397363 /nfs/dbraw/zinc/39/73/63/807397363.db2.gz OEGCOZBUUGDWAL-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC001258288173 807397444 /nfs/dbraw/zinc/39/74/44/807397444.db2.gz DZSNRIPDAGTOFN-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP FC(F)(F)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168380951 807399124 /nfs/dbraw/zinc/39/91/24/807399124.db2.gz VNPKOZPZKRGLEY-CYBMUJFWSA-N 2 1 290.373 3.135 20 0 CGADMP FC(F)(F)[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168380951 807399132 /nfs/dbraw/zinc/39/91/32/807399132.db2.gz VNPKOZPZKRGLEY-CYBMUJFWSA-N 2 1 290.373 3.135 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168402813 807406589 /nfs/dbraw/zinc/40/65/89/807406589.db2.gz GZEHQIQDOJDTPI-KDOFPFPSSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001168495507 807435860 /nfs/dbraw/zinc/43/58/60/807435860.db2.gz GWYNSZWZYQYRRP-OAHLLOKOSA-N 2 1 290.426 3.174 20 0 CGADMP CCCCC(CCCC)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258385829 807436113 /nfs/dbraw/zinc/43/61/13/807436113.db2.gz LNPOQOMQSCRKAZ-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258385829 807436117 /nfs/dbraw/zinc/43/61/17/807436117.db2.gz LNPOQOMQSCRKAZ-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCC(CCCC)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001258385829 807436120 /nfs/dbraw/zinc/43/61/20/807436120.db2.gz LNPOQOMQSCRKAZ-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCC(CCCC)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001258385829 807436124 /nfs/dbraw/zinc/43/61/24/807436124.db2.gz LNPOQOMQSCRKAZ-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001258391428 807436710 /nfs/dbraw/zinc/43/67/10/807436710.db2.gz ZVZLVJVQPRJKHK-WBVHZDCISA-N 2 1 290.451 3.090 20 0 CGADMP CCCCc1nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc(C)[nH+]1 ZINC001168596249 807453322 /nfs/dbraw/zinc/45/33/22/807453322.db2.gz HOSSYMHNWKMSIT-GJZGRUSLSA-N 2 1 290.455 3.412 20 0 CGADMP C[C@@H](CC1CC1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258453801 807460468 /nfs/dbraw/zinc/46/04/68/807460468.db2.gz VXHQLUIKWCUVEL-ZDUSSCGKSA-N 2 1 276.399 3.264 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081618 807569952 /nfs/dbraw/zinc/56/99/52/807569952.db2.gz UKWITCBNQOYLFU-DDBAPUKQSA-N 2 1 272.436 3.223 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001169100335 807575608 /nfs/dbraw/zinc/57/56/08/807575608.db2.gz JJCQDYDHRLPMNA-DGXTUMSLSA-N 2 1 264.457 3.416 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(OC)c1 ZINC001169107664 807578824 /nfs/dbraw/zinc/57/88/24/807578824.db2.gz JKFOOSDDWQNSRZ-KYHPRHEASA-N 2 1 288.435 3.361 20 0 CGADMP Cc1cccc(Cl)c1C(=[NH2+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125298 807585514 /nfs/dbraw/zinc/58/55/14/807585514.db2.gz YMSHFYLAKYWZBB-CLLJXQQHSA-N 2 1 291.826 3.189 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC001258743284 807587234 /nfs/dbraw/zinc/58/72/34/807587234.db2.gz ZQNQRTGBZCOBFJ-LBPRGKRZSA-N 2 1 266.816 3.084 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccccc1)C2 ZINC001169140200 807589209 /nfs/dbraw/zinc/58/92/09/807589209.db2.gz IUEOHTCMXJGCGZ-MLHJIOFPSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1ccccc1)C2 ZINC001169140200 807589212 /nfs/dbraw/zinc/58/92/12/807589212.db2.gz IUEOHTCMXJGCGZ-MLHJIOFPSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1ccccc1)C2 ZINC001169140200 807589217 /nfs/dbraw/zinc/58/92/17/807589217.db2.gz IUEOHTCMXJGCGZ-MLHJIOFPSA-N 2 1 270.420 3.449 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSc3ccccc3C1)C2 ZINC001169154778 807596400 /nfs/dbraw/zinc/59/64/00/807596400.db2.gz UZSQJZDOEHILQX-MUJYYYPQSA-N 2 1 288.460 3.220 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSc3ccccc3C1)C2 ZINC001169154778 807596406 /nfs/dbraw/zinc/59/64/06/807596406.db2.gz UZSQJZDOEHILQX-MUJYYYPQSA-N 2 1 288.460 3.220 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCSc3ccccc3C1)C2 ZINC001169154778 807596410 /nfs/dbraw/zinc/59/64/10/807596410.db2.gz UZSQJZDOEHILQX-MUJYYYPQSA-N 2 1 288.460 3.220 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCSc3ccccc3C1)C2 ZINC001169154778 807596417 /nfs/dbraw/zinc/59/64/17/807596417.db2.gz UZSQJZDOEHILQX-MUJYYYPQSA-N 2 1 288.460 3.220 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(CC)CCC(F)(F)CC2)CC1 ZINC001169241603 807613250 /nfs/dbraw/zinc/61/32/50/807613250.db2.gz WRMYPLFLCQCDSQ-UHFFFAOYSA-N 2 1 274.399 3.418 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258795688 807617641 /nfs/dbraw/zinc/61/76/41/807617641.db2.gz SZNONINSVJSZEC-HOCLYGCPSA-N 2 1 254.462 3.475 20 0 CGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258826097 807639426 /nfs/dbraw/zinc/63/94/26/807639426.db2.gz HKDWMYILRIGLBQ-NXHRZFHOSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001258906976 807672287 /nfs/dbraw/zinc/67/22/87/807672287.db2.gz CJRSFVNNSVMSNE-QWHCGFSZSA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@](C)(CF)C1 ZINC001258907614 807672773 /nfs/dbraw/zinc/67/27/73/807672773.db2.gz LHZAFZXRQPEODO-HUUCEWRRSA-N 2 1 258.425 3.178 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)CCC[NH+](C)C ZINC001170267069 807812462 /nfs/dbraw/zinc/81/24/62/807812462.db2.gz UGJPTCUHOLPUTH-ZDUSSCGKSA-N 2 1 268.832 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3Cl)C[C@H]2C1 ZINC001170296091 807819337 /nfs/dbraw/zinc/81/93/37/807819337.db2.gz YTFOAPDTUXPKNK-FVQBIDKESA-N 2 1 292.854 3.155 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001262378561 807863395 /nfs/dbraw/zinc/86/33/95/807863395.db2.gz FXDWZHYXPGBBLX-RCCFBDPRSA-N 2 1 272.436 3.157 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC001262481525 807866377 /nfs/dbraw/zinc/86/63/77/807866377.db2.gz VUYYEUCLILHANI-KGLIPLIRSA-N 2 1 282.815 3.008 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170897483 807928246 /nfs/dbraw/zinc/92/82/46/807928246.db2.gz OOXFHNNJCJZTEO-CQSZACIVSA-N 2 1 280.843 3.257 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170957196 807945218 /nfs/dbraw/zinc/94/52/18/807945218.db2.gz LREAHVZZNCDIMF-MRXNPFEDSA-N 2 1 292.442 3.395 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2cccc(F)c2C1 ZINC001171004495 807957596 /nfs/dbraw/zinc/95/75/96/807957596.db2.gz GDGXLWJTCORDRE-MRXNPFEDSA-N 2 1 292.442 3.347 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171344900 808033333 /nfs/dbraw/zinc/03/33/33/808033333.db2.gz GCYHROVVAKSEFW-YMAMQOFZSA-N 2 1 294.389 3.024 20 0 CGADMP Cc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)ccn1 ZINC001171613691 808105678 /nfs/dbraw/zinc/10/56/78/808105678.db2.gz NKTVMKXKKRYCPV-UHFFFAOYSA-N 2 1 275.440 3.131 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001171959202 808160241 /nfs/dbraw/zinc/16/02/41/808160241.db2.gz SHQGIBDTWMSUSW-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001171959202 808160243 /nfs/dbraw/zinc/16/02/43/808160243.db2.gz SHQGIBDTWMSUSW-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001172100972 808171357 /nfs/dbraw/zinc/17/13/57/808171357.db2.gz VKVGVGRVWIMZPM-SYQHCUMBSA-N 2 1 264.438 3.414 20 0 CGADMP Cn1c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc2ccccc21 ZINC001172100219 808171729 /nfs/dbraw/zinc/17/17/29/808171729.db2.gz BIMMPNLFQGPYGY-OSYLJGHBSA-N 2 1 297.446 3.283 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccccn3)CCC1)C2 ZINC001172109068 808178445 /nfs/dbraw/zinc/17/84/45/808178445.db2.gz BVIJCMJAHXXQHL-NNZMDNLPSA-N 2 1 299.462 3.152 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccccn3)CCC1)C2 ZINC001172109068 808178447 /nfs/dbraw/zinc/17/84/47/808178447.db2.gz BVIJCMJAHXXQHL-NNZMDNLPSA-N 2 1 299.462 3.152 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172113756 808180514 /nfs/dbraw/zinc/18/05/14/808180514.db2.gz LKKUSWKXVWEMQJ-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172113756 808180518 /nfs/dbraw/zinc/18/05/18/808180518.db2.gz LKKUSWKXVWEMQJ-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172113756 808180520 /nfs/dbraw/zinc/18/05/20/808180520.db2.gz LKKUSWKXVWEMQJ-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172113756 808180527 /nfs/dbraw/zinc/18/05/27/808180527.db2.gz LKKUSWKXVWEMQJ-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP C[N@H+](Cc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121598 808182709 /nfs/dbraw/zinc/18/27/09/808182709.db2.gz KZBNSPBMYGHPAR-MUJYYYPQSA-N 2 1 276.399 3.273 20 0 CGADMP C[N@@H+](Cc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121598 808182713 /nfs/dbraw/zinc/18/27/13/808182713.db2.gz KZBNSPBMYGHPAR-MUJYYYPQSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121598 808182716 /nfs/dbraw/zinc/18/27/16/808182716.db2.gz KZBNSPBMYGHPAR-MUJYYYPQSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121598 808182722 /nfs/dbraw/zinc/18/27/22/808182722.db2.gz KZBNSPBMYGHPAR-MUJYYYPQSA-N 2 1 276.399 3.273 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3ccc(F)cc3C1)C2 ZINC001172126823 808185249 /nfs/dbraw/zinc/18/52/49/808185249.db2.gz YKRSRBIVMXHLOE-BCDXTJNWSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3ccc(F)cc3C1)C2 ZINC001172126823 808185253 /nfs/dbraw/zinc/18/52/53/808185253.db2.gz YKRSRBIVMXHLOE-BCDXTJNWSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3ccc(F)cc3C1)C2 ZINC001172126823 808185258 /nfs/dbraw/zinc/18/52/58/808185258.db2.gz YKRSRBIVMXHLOE-BCDXTJNWSA-N 2 1 288.410 3.199 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C3CCCC1CCC3)C2 ZINC001172127002 808186876 /nfs/dbraw/zinc/18/68/76/808186876.db2.gz FQBPEIWDHPPHAN-NDQLQDMOSA-N 2 1 262.441 3.409 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C3CCCC1CCC3)C2 ZINC001172127002 808186880 /nfs/dbraw/zinc/18/68/80/808186880.db2.gz FQBPEIWDHPPHAN-NDQLQDMOSA-N 2 1 262.441 3.409 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CCCCC3)C2 ZINC001172128221 808187228 /nfs/dbraw/zinc/18/72/28/808187228.db2.gz PYHNLHUJANLZQT-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001172321597 808230231 /nfs/dbraw/zinc/23/02/31/808230231.db2.gz MBEJRQQSPHPHSG-JKSUJKDBSA-N 2 1 278.440 3.041 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](CCN)Cc1ccccc1 ZINC001172321597 808230235 /nfs/dbraw/zinc/23/02/35/808230235.db2.gz MBEJRQQSPHPHSG-JKSUJKDBSA-N 2 1 278.440 3.041 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001172343486 808243128 /nfs/dbraw/zinc/24/31/28/808243128.db2.gz RWSALMLXEDZTCC-HOTGVXAUSA-N 2 1 284.488 3.386 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@H]1C ZINC001172367798 808263383 /nfs/dbraw/zinc/26/33/83/808263383.db2.gz NHTKWCLQOIMLNT-BZUAXINKSA-N 3 1 297.531 3.286 20 0 CGADMP CCOCC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172419108 808302349 /nfs/dbraw/zinc/30/23/49/808302349.db2.gz FWZSTQLQQPIVBL-JYJNAYRXSA-N 2 1 270.461 3.029 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550290 808379588 /nfs/dbraw/zinc/37/95/88/808379588.db2.gz DMNIRRJDSAQQHF-FGTMMUONSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172727212 808422410 /nfs/dbraw/zinc/42/24/10/808422410.db2.gz VDUFGMIIFUZIPB-CVEARBPZSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172727212 808422413 /nfs/dbraw/zinc/42/24/13/808422413.db2.gz VDUFGMIIFUZIPB-CVEARBPZSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172727212 808422415 /nfs/dbraw/zinc/42/24/15/808422415.db2.gz VDUFGMIIFUZIPB-CVEARBPZSA-N 2 1 276.468 3.373 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)CC2 ZINC001172843880 808457837 /nfs/dbraw/zinc/45/78/37/808457837.db2.gz QJSLHHDITNFCPQ-LJQANCHMSA-N 2 1 298.474 3.270 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172855833 808463240 /nfs/dbraw/zinc/46/32/40/808463240.db2.gz HZHSKMLFKPCNTH-SWLSCSKDSA-N 2 1 298.833 3.484 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001172941220 808489873 /nfs/dbraw/zinc/48/98/73/808489873.db2.gz DNNNFXKEYIBQAO-XLAORIBOSA-N 2 1 294.483 3.283 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001172941220 808489876 /nfs/dbraw/zinc/48/98/76/808489876.db2.gz DNNNFXKEYIBQAO-XLAORIBOSA-N 2 1 294.483 3.283 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001172941220 808489881 /nfs/dbraw/zinc/48/98/81/808489881.db2.gz DNNNFXKEYIBQAO-XLAORIBOSA-N 2 1 294.483 3.283 20 0 CGADMP CCCOC1CCC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001173089660 808505348 /nfs/dbraw/zinc/50/53/48/808505348.db2.gz OXZMHXODZZBQRB-GQGLESIBSA-N 2 1 282.472 3.187 20 0 CGADMP CCCN1CCC([NH2+]C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173102427 808509391 /nfs/dbraw/zinc/50/93/91/808509391.db2.gz XSOHRHHMRDNWCP-UHFFFAOYSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@](C)(O)[C@@H](C)C2)CC1 ZINC001173108344 808511960 /nfs/dbraw/zinc/51/19/60/808511960.db2.gz CHPWEEYCLWMYNE-BFWZDYSYSA-N 2 1 296.499 3.122 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cccnc2C)CC1 ZINC001173113927 808513007 /nfs/dbraw/zinc/51/30/07/808513007.db2.gz PFCMYYIGSKQBMZ-UHFFFAOYSA-N 2 1 289.467 3.475 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173195905 808535073 /nfs/dbraw/zinc/53/50/73/808535073.db2.gz ZZIZWVYFZILGPB-UHFFFAOYSA-N 2 1 299.418 3.171 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001173234627 808544958 /nfs/dbraw/zinc/54/49/58/808544958.db2.gz CMJDFRLPPLDJQP-CRAIPNDOSA-N 2 1 274.452 3.111 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001173252128 808559251 /nfs/dbraw/zinc/55/92/51/808559251.db2.gz IDHRDLQTDVQSLP-RLFYNMQTSA-N 2 1 274.452 3.110 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001173252128 808559257 /nfs/dbraw/zinc/55/92/57/808559257.db2.gz IDHRDLQTDVQSLP-RLFYNMQTSA-N 2 1 274.452 3.110 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001173264455 808569628 /nfs/dbraw/zinc/56/96/28/808569628.db2.gz SYOZACZHKPMCKL-DGXTUMSLSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001173264455 808569637 /nfs/dbraw/zinc/56/96/37/808569637.db2.gz SYOZACZHKPMCKL-DGXTUMSLSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001173276189 808578610 /nfs/dbraw/zinc/57/86/10/808578610.db2.gz UNZHKXCYPNRMGJ-GJZGRUSLSA-N 3 1 283.504 3.040 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001173278154 808580901 /nfs/dbraw/zinc/58/09/01/808580901.db2.gz WUVYQVGGWSXNRR-BZUAXINKSA-N 2 1 252.446 3.406 20 0 CGADMP CCSC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001173297081 808596153 /nfs/dbraw/zinc/59/61/53/808596153.db2.gz BGAZZMKAUSMALH-AWEZNQCLSA-N 2 1 270.486 3.078 20 0 CGADMP CCSC[C@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001173307608 808603889 /nfs/dbraw/zinc/60/38/89/808603889.db2.gz HJEDWDLSDFTYIV-AWEZNQCLSA-N 2 1 293.480 3.090 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCCC2(CCCCC2)C1 ZINC001173338487 808618485 /nfs/dbraw/zinc/61/84/85/808618485.db2.gz AOOSFMMRXMSYAO-GJZGRUSLSA-N 2 1 252.446 3.406 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275074654 808904948 /nfs/dbraw/zinc/90/49/48/808904948.db2.gz UMPILYCNYNFAKL-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275074654 808904958 /nfs/dbraw/zinc/90/49/58/808904958.db2.gz UMPILYCNYNFAKL-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275074654 808904965 /nfs/dbraw/zinc/90/49/65/808904965.db2.gz UMPILYCNYNFAKL-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275107915 808910086 /nfs/dbraw/zinc/91/00/86/808910086.db2.gz IQLOVEJMIVQATA-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)c(F)c(F)c3)(C1)CCC2 ZINC001276173400 808991946 /nfs/dbraw/zinc/99/19/46/808991946.db2.gz CMWDPWUNXJJAKF-JKSUJKDBSA-N 2 1 298.352 3.258 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1F ZINC001276233463 808994452 /nfs/dbraw/zinc/99/44/52/808994452.db2.gz ZGXPPTCOOFEKHK-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1(c3ccccc3)CC1)C2 ZINC001276424708 809007590 /nfs/dbraw/zinc/00/75/90/809007590.db2.gz MPSKHYWIWZRVLL-SFHVURJKSA-N 2 1 284.447 3.136 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1(c3ccccc3)CC1)C2 ZINC001276424708 809007597 /nfs/dbraw/zinc/00/75/97/809007597.db2.gz MPSKHYWIWZRVLL-SFHVURJKSA-N 2 1 284.447 3.136 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1(c3ccccc3)CC1)C2 ZINC001276424708 809007601 /nfs/dbraw/zinc/00/76/01/809007601.db2.gz MPSKHYWIWZRVLL-SFHVURJKSA-N 2 1 284.447 3.136 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCC1CCCC1)CC2 ZINC001276452181 809009834 /nfs/dbraw/zinc/00/98/34/809009834.db2.gz XDMPVKVJRGBLAP-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC(C)=C[C@H]1C ZINC001276472146 809012091 /nfs/dbraw/zinc/01/20/91/809012091.db2.gz IZQVASHYIXSFKR-OZSLIKBDSA-N 2 1 262.441 3.194 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1N1CCCC1 ZINC001276678942 809024482 /nfs/dbraw/zinc/02/44/82/809024482.db2.gz MQBHHQUPMUFMMY-AYHJJNSGSA-N 2 1 299.462 3.002 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C(C)(C)C)[nH]1)CC2 ZINC001276796524 809033871 /nfs/dbraw/zinc/03/38/71/809033871.db2.gz LLGYWCOSHDQBHJ-UHFFFAOYSA-N 2 1 289.467 3.230 20 0 CGADMP Cc1ccc(O)cc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277544915 809080246 /nfs/dbraw/zinc/08/02/46/809080246.db2.gz CDGPPPSJNQUYCX-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(O)cc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001277544915 809080251 /nfs/dbraw/zinc/08/02/51/809080251.db2.gz CDGPPPSJNQUYCX-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(O)cc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277544915 809080256 /nfs/dbraw/zinc/08/02/56/809080256.db2.gz CDGPPPSJNQUYCX-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(O)cc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277544915 809080261 /nfs/dbraw/zinc/08/02/61/809080261.db2.gz CDGPPPSJNQUYCX-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1)CC(F)(F)F ZINC001278182905 809118681 /nfs/dbraw/zinc/11/86/81/809118681.db2.gz AXNQSFSXGFUNSB-ZIAGYGMSSA-N 2 1 292.389 3.383 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1)CC(F)(F)F ZINC001278182905 809118685 /nfs/dbraw/zinc/11/86/85/809118685.db2.gz AXNQSFSXGFUNSB-ZIAGYGMSSA-N 2 1 292.389 3.383 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001278182905 809118689 /nfs/dbraw/zinc/11/86/89/809118689.db2.gz AXNQSFSXGFUNSB-ZIAGYGMSSA-N 2 1 292.389 3.383 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2[C@@H]2CCO[C@H](C)C2)CC1 ZINC001175352719 809374057 /nfs/dbraw/zinc/37/40/57/809374057.db2.gz RBAPJJRWLPWCTO-KZNAEPCWSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001178629053 809880022 /nfs/dbraw/zinc/88/00/22/809880022.db2.gz IQYYNQDLRFATQQ-CRAIPNDOSA-N 2 1 274.452 3.254 20 0 CGADMP C[C@@H](COCC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179637045 809934089 /nfs/dbraw/zinc/93/40/89/809934089.db2.gz RFKQWMGWILOVLK-DOTOQJQBSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1 ZINC001179814981 809947683 /nfs/dbraw/zinc/94/76/83/809947683.db2.gz CCUUARBFFFVATJ-KZNAEPCWSA-N 2 1 272.436 3.240 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)CC1CCSCC1 ZINC001181506029 810056950 /nfs/dbraw/zinc/05/69/50/810056950.db2.gz NFHWFNIDFYBTRW-UHFFFAOYSA-N 2 1 272.502 3.183 20 0 CGADMP CCc1cc(N(C)CCCC[NH+]2CCCCC2)nc(C)[nH+]1 ZINC001187438373 810400340 /nfs/dbraw/zinc/40/03/40/810400340.db2.gz TVXAZMLMPXRPTR-UHFFFAOYSA-N 2 1 290.455 3.050 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@H]1CC2CCC1CC2 ZINC001191173861 810685917 /nfs/dbraw/zinc/68/59/17/810685917.db2.gz JQAHMGARJFMGHB-ODZFXCKXSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@H]1CC2CCC1CC2 ZINC001191173861 810685920 /nfs/dbraw/zinc/68/59/20/810685920.db2.gz JQAHMGARJFMGHB-ODZFXCKXSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@H]1CC2CCC1CC2 ZINC001191173861 810685923 /nfs/dbraw/zinc/68/59/23/810685923.db2.gz JQAHMGARJFMGHB-ODZFXCKXSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)CC(C)(C)C ZINC001192358775 810791522 /nfs/dbraw/zinc/79/15/22/810791522.db2.gz OESZMWKRNSJKDC-VVLHAWIVSA-N 2 1 296.499 3.242 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001195213828 811226460 /nfs/dbraw/zinc/22/64/60/811226460.db2.gz JGFQTROBSOHSRW-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC001196632601 811355308 /nfs/dbraw/zinc/35/53/08/811355308.db2.gz UIFQZMBGSLHVRP-IRXDYDNUSA-N 2 1 294.389 3.398 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196935093 811384306 /nfs/dbraw/zinc/38/43/06/811384306.db2.gz GOZPMYANYJJNBS-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001197031579 811390479 /nfs/dbraw/zinc/39/04/79/811390479.db2.gz MHPHQHUTUQNFGO-ZMYBRWDISA-N 2 1 284.447 3.262 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001197031579 811390485 /nfs/dbraw/zinc/39/04/85/811390485.db2.gz MHPHQHUTUQNFGO-ZMYBRWDISA-N 2 1 284.447 3.262 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001197031579 811390497 /nfs/dbraw/zinc/39/04/97/811390497.db2.gz MHPHQHUTUQNFGO-ZMYBRWDISA-N 2 1 284.447 3.262 20 0 CGADMP CC(C)C[N@@H+](CCCC1CC1)CC1CC[NH+](C)CC1 ZINC001197194262 811404592 /nfs/dbraw/zinc/40/45/92/811404592.db2.gz KQWHTPZOPKQCGK-UHFFFAOYSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC1(CCC)CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC001197515175 811425930 /nfs/dbraw/zinc/42/59/30/811425930.db2.gz ZKIZWHLEVGSMOK-INIZCTEOSA-N 2 1 284.488 3.122 20 0 CGADMP CCCC1(CCC)CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001197515175 811425938 /nfs/dbraw/zinc/42/59/38/811425938.db2.gz ZKIZWHLEVGSMOK-INIZCTEOSA-N 2 1 284.488 3.122 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC001200439908 811690034 /nfs/dbraw/zinc/69/00/34/811690034.db2.gz XGXRAXZCPHFKAA-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC001200439908 811690040 /nfs/dbraw/zinc/69/00/40/811690040.db2.gz XGXRAXZCPHFKAA-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)C1 ZINC001200526111 811710090 /nfs/dbraw/zinc/71/00/90/811710090.db2.gz MLLVRLNLAYFTAO-GVDBMIGSSA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)(C)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201433158 811844657 /nfs/dbraw/zinc/84/46/57/811844657.db2.gz TZHHKSSZDOOKOJ-OKILXGFUSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)(C)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201433158 811844665 /nfs/dbraw/zinc/84/46/65/811844665.db2.gz TZHHKSSZDOOKOJ-OKILXGFUSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)(C)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201433158 811844672 /nfs/dbraw/zinc/84/46/72/811844672.db2.gz TZHHKSSZDOOKOJ-OKILXGFUSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)(C)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201433158 811844681 /nfs/dbraw/zinc/84/46/81/811844681.db2.gz TZHHKSSZDOOKOJ-OKILXGFUSA-N 2 1 278.465 3.158 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201568950 811907734 /nfs/dbraw/zinc/90/77/34/811907734.db2.gz ZOHLWNNEGGKWGN-ARFHVFGLSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201652900 811930974 /nfs/dbraw/zinc/93/09/74/811930974.db2.gz WXFKUGUDJVIZHQ-ROUUACIJSA-N 2 1 272.436 3.240 20 0 CGADMP CCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201652900 811930979 /nfs/dbraw/zinc/93/09/79/811930979.db2.gz WXFKUGUDJVIZHQ-ROUUACIJSA-N 2 1 272.436 3.240 20 0 CGADMP CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201652900 811930986 /nfs/dbraw/zinc/93/09/86/811930986.db2.gz WXFKUGUDJVIZHQ-ROUUACIJSA-N 2 1 272.436 3.240 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1CCC(F)(F)F ZINC001202353017 812070716 /nfs/dbraw/zinc/07/07/16/812070716.db2.gz XBSRLUJZUXUXTM-QWHCGFSZSA-N 2 1 278.362 3.278 20 0 CGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCC(F)(F)F ZINC001202353017 812070723 /nfs/dbraw/zinc/07/07/23/812070723.db2.gz XBSRLUJZUXUXTM-QWHCGFSZSA-N 2 1 278.362 3.278 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCC(F)(F)F ZINC001202353017 812070733 /nfs/dbraw/zinc/07/07/33/812070733.db2.gz XBSRLUJZUXUXTM-QWHCGFSZSA-N 2 1 278.362 3.278 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC001202353017 812070743 /nfs/dbraw/zinc/07/07/43/812070743.db2.gz XBSRLUJZUXUXTM-QWHCGFSZSA-N 2 1 278.362 3.278 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCC(F)(F)F ZINC001202353017 812070751 /nfs/dbraw/zinc/07/07/51/812070751.db2.gz XBSRLUJZUXUXTM-QWHCGFSZSA-N 2 1 278.362 3.278 20 0 CGADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)o1 ZINC001203293876 812297398 /nfs/dbraw/zinc/29/73/98/812297398.db2.gz IDWHUYZMCGQIEP-UHFFFAOYSA-N 2 1 264.413 3.140 20 0 CGADMP Cc1ccc(Nc2ccccc2N2CCN(C)CC2)c(C)n1 ZINC001203372477 812328994 /nfs/dbraw/zinc/32/89/94/812328994.db2.gz BEDKISZIBFOHFK-UHFFFAOYSA-N 2 1 296.418 3.194 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC001203409010 812347199 /nfs/dbraw/zinc/34/71/99/812347199.db2.gz LZFYWSXHBDVVQK-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001203709598 812435395 /nfs/dbraw/zinc/43/53/95/812435395.db2.gz JLPAOOXNVMWZLG-UHFFFAOYSA-N 2 1 290.426 3.393 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(C)c2C)CC1 ZINC001203724335 812441607 /nfs/dbraw/zinc/44/16/07/812441607.db2.gz GBURGIVUDDDZJG-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(C)c2C)CC1 ZINC001203724335 812441611 /nfs/dbraw/zinc/44/16/11/812441611.db2.gz GBURGIVUDDDZJG-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(SC)cc3)C[C@@H]2C1 ZINC001204146699 812557595 /nfs/dbraw/zinc/55/75/95/812557595.db2.gz QDCOJIMDYNCDSM-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(SC)cc3)C[C@@H]2C1 ZINC001204146699 812557602 /nfs/dbraw/zinc/55/76/02/812557602.db2.gz QDCOJIMDYNCDSM-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(SC)cc3)C[C@@H]2C1 ZINC001204146699 812557610 /nfs/dbraw/zinc/55/76/10/812557610.db2.gz QDCOJIMDYNCDSM-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(SC)cc3)C[C@@H]2C1 ZINC001204146699 812557615 /nfs/dbraw/zinc/55/76/15/812557615.db2.gz QDCOJIMDYNCDSM-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165097 812561033 /nfs/dbraw/zinc/56/10/33/812561033.db2.gz OIUKJWLQLAOTAD-KBPBESRZSA-N 2 1 298.352 3.089 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001204167854 812561805 /nfs/dbraw/zinc/56/18/05/812561805.db2.gz DMDCCNNALLTCIN-QZTJIDSGSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001204167854 812561808 /nfs/dbraw/zinc/56/18/08/812561808.db2.gz DMDCCNNALLTCIN-QZTJIDSGSA-N 2 1 272.436 3.194 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC001204263969 812591698 /nfs/dbraw/zinc/59/16/98/812591698.db2.gz PXFZHXPDHDEOOX-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC[N@@H+](C)C1CCN(Cc2c(C)[nH]c3ccccc32)CC1 ZINC001204292751 812601197 /nfs/dbraw/zinc/60/11/97/812601197.db2.gz LGSNHKYDMVPDRV-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2c(C)[nH]c3ccccc32)CC1 ZINC001204292751 812601202 /nfs/dbraw/zinc/60/12/02/812601202.db2.gz LGSNHKYDMVPDRV-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2c(C)[nH]c3ccccc32)CC1 ZINC001204292751 812601208 /nfs/dbraw/zinc/60/12/08/812601208.db2.gz LGSNHKYDMVPDRV-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1csc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001204376036 812622664 /nfs/dbraw/zinc/62/26/64/812622664.db2.gz KERJTLGACIIUCW-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC001204514593 812662688 /nfs/dbraw/zinc/66/26/88/812662688.db2.gz BDDDXLICGZDWCQ-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP COc1ccc2cc(C[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001204514593 812662692 /nfs/dbraw/zinc/66/26/92/812662692.db2.gz BDDDXLICGZDWCQ-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001204514593 812662698 /nfs/dbraw/zinc/66/26/98/812662698.db2.gz BDDDXLICGZDWCQ-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)oc1C ZINC001204541640 812673393 /nfs/dbraw/zinc/67/33/93/812673393.db2.gz NWNUQAUVUFDHMZ-INIZCTEOSA-N 2 1 286.375 3.335 20 0 CGADMP CC(C)C[NH+](CC(C)C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204611583 812689813 /nfs/dbraw/zinc/68/98/13/812689813.db2.gz VVERGWPUELUNRT-KBPBESRZSA-N 2 1 276.415 3.091 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)[nH]1 ZINC001204735232 812719654 /nfs/dbraw/zinc/71/96/54/812719654.db2.gz PELNQDXDRJVLOX-UHFFFAOYSA-N 2 1 289.467 3.278 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001204735389 812719841 /nfs/dbraw/zinc/71/98/41/812719841.db2.gz SDWLIBKTODPQFC-UHFFFAOYSA-N 2 1 284.856 3.367 20 0 CGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)sc1C ZINC001204742447 812724398 /nfs/dbraw/zinc/72/43/98/812724398.db2.gz OEOAGXXMJNSXNW-UHFFFAOYSA-N 2 1 278.465 3.331 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904563 812771344 /nfs/dbraw/zinc/77/13/44/812771344.db2.gz SLWQWNCIFFLBIY-LSDHHAIUSA-N 2 1 282.472 3.031 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904563 812771346 /nfs/dbraw/zinc/77/13/46/812771346.db2.gz SLWQWNCIFFLBIY-LSDHHAIUSA-N 2 1 282.472 3.031 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H](C)c2ccc(C)o2)C1 ZINC001205001148 812819701 /nfs/dbraw/zinc/81/97/01/812819701.db2.gz ONWXYMFOJDGVQM-DZGCQCFKSA-N 2 1 264.413 3.013 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001205016321 812826308 /nfs/dbraw/zinc/82/63/08/812826308.db2.gz IPPOTNWPFJOUCU-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001205016321 812826318 /nfs/dbraw/zinc/82/63/18/812826318.db2.gz IPPOTNWPFJOUCU-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205101253 812865655 /nfs/dbraw/zinc/86/56/55/812865655.db2.gz CGJASBBVYORGNM-CYBMUJFWSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205101253 812865664 /nfs/dbraw/zinc/86/56/64/812865664.db2.gz CGJASBBVYORGNM-CYBMUJFWSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(Br)c1 ZINC001205102652 812867386 /nfs/dbraw/zinc/86/73/86/812867386.db2.gz VFUFSTPQATWRRI-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(Br)c1 ZINC001205102652 812867395 /nfs/dbraw/zinc/86/73/95/812867395.db2.gz VFUFSTPQATWRRI-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001205101736 812867639 /nfs/dbraw/zinc/86/76/39/812867639.db2.gz KDPSKDWNYIJXIY-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001205101736 812867648 /nfs/dbraw/zinc/86/76/48/812867648.db2.gz KDPSKDWNYIJXIY-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124393 812878602 /nfs/dbraw/zinc/87/86/02/812878602.db2.gz PWWPJMNOKJNYMF-LBPRGKRZSA-N 2 1 270.779 3.101 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124393 812878607 /nfs/dbraw/zinc/87/86/07/812878607.db2.gz PWWPJMNOKJNYMF-LBPRGKRZSA-N 2 1 270.779 3.101 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001205257454 812919437 /nfs/dbraw/zinc/91/94/37/812919437.db2.gz VOFSQWIKHMHOIC-HRCADAONSA-N 2 1 250.430 3.182 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001205263464 812920093 /nfs/dbraw/zinc/92/00/93/812920093.db2.gz AAPZUKAVNPAOQN-AWEZNQCLSA-N 2 1 286.341 3.409 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC001205264098 812922543 /nfs/dbraw/zinc/92/25/43/812922543.db2.gz HPZKFBWKLPOFMF-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205266950 812923349 /nfs/dbraw/zinc/92/33/49/812923349.db2.gz YSKTUJPVMVWLAW-QGZVFWFLSA-N 2 1 276.424 3.177 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273484 812926080 /nfs/dbraw/zinc/92/60/80/812926080.db2.gz LVBHGTMZQUXLNF-KRWDZBQOSA-N 2 1 276.424 3.179 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(F)c1 ZINC001205295694 812936139 /nfs/dbraw/zinc/93/61/39/812936139.db2.gz AYUHURXNNRAXGM-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(F)c1 ZINC001205295694 812936143 /nfs/dbraw/zinc/93/61/43/812936143.db2.gz AYUHURXNNRAXGM-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC001205303352 812940715 /nfs/dbraw/zinc/94/07/15/812940715.db2.gz CUUNTIRXYASJOO-GDBMZVCRSA-N 2 1 284.403 3.363 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303639 812942013 /nfs/dbraw/zinc/94/20/13/812942013.db2.gz IXIRPSHKZVLWRY-GOEBONIOSA-N 2 1 285.435 3.078 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccsc3c2)C[C@H]1C[NH3+] ZINC001205303825 812942289 /nfs/dbraw/zinc/94/22/89/812942289.db2.gz LCLGSWZQGNBDEV-IUODEOHRSA-N 2 1 274.433 3.318 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205305731 812943259 /nfs/dbraw/zinc/94/32/59/812943259.db2.gz PXVVQAVJCDVTBU-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205305731 812943267 /nfs/dbraw/zinc/94/32/67/812943267.db2.gz PXVVQAVJCDVTBU-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OC(C)(C)C)C[C@H]1C[NH3+] ZINC001205314910 812947567 /nfs/dbraw/zinc/94/75/67/812947567.db2.gz DOGZRGYMXHJHTK-GOEBONIOSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OC(C)(C)C)C[C@@H]1C[NH3+] ZINC001205314913 812947591 /nfs/dbraw/zinc/94/75/91/812947591.db2.gz DOGZRGYMXHJHTK-HOCLYGCPSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OC(C)(C)C)C[C@@H]1C[NH3+] ZINC001205314917 812948288 /nfs/dbraw/zinc/94/82/88/812948288.db2.gz DOGZRGYMXHJHTK-ZBFHGGJFSA-N 2 1 290.451 3.281 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318729 812952699 /nfs/dbraw/zinc/95/26/99/812952699.db2.gz WHYFNFMEGPVNOF-AAEUAGOBSA-N 2 1 298.883 3.479 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318729 812952706 /nfs/dbraw/zinc/95/27/06/812952706.db2.gz WHYFNFMEGPVNOF-AAEUAGOBSA-N 2 1 298.883 3.479 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC001205537189 812996608 /nfs/dbraw/zinc/99/66/08/812996608.db2.gz FGLRSZZJUHMBFZ-QGZVFWFLSA-N 2 1 278.415 3.162 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2coc3ccc(F)cc23)CC1 ZINC001205570011 813007000 /nfs/dbraw/zinc/00/70/00/813007000.db2.gz CKYNZGFLEUPTMP-MRXNPFEDSA-N 2 1 294.345 3.225 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205570524 813007158 /nfs/dbraw/zinc/00/71/58/813007158.db2.gz KXTLYYHWZSKAJQ-KRWDZBQOSA-N 2 1 278.415 3.292 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001205571369 813007776 /nfs/dbraw/zinc/00/77/76/813007776.db2.gz TWTJPTGJIJMBMH-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2coc3ccccc23)CC1 ZINC001205571779 813008030 /nfs/dbraw/zinc/00/80/30/813008030.db2.gz XPWBXGXSBFVDKJ-MRXNPFEDSA-N 2 1 276.355 3.086 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC001205580139 813011222 /nfs/dbraw/zinc/01/12/22/813011222.db2.gz QMIQWZBCFSBTNF-GFCCVEGCSA-N 2 1 276.808 3.054 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205592022 813015090 /nfs/dbraw/zinc/01/50/90/813015090.db2.gz QACMPBDCXIVCDM-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591138 813015366 /nfs/dbraw/zinc/01/53/66/813015366.db2.gz FHFAWXVPDNETGC-KRWDZBQOSA-N 2 1 278.415 3.210 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)CC[C@H]1C[NH3+] ZINC001205602220 813017348 /nfs/dbraw/zinc/01/73/48/813017348.db2.gz HTCKYODKOCDENL-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)CC[C@@H]1C[NH3+] ZINC001205602221 813018423 /nfs/dbraw/zinc/01/84/23/813018423.db2.gz HTCKYODKOCDENL-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(C)CCCCC2)CC[C@@H]1C[NH3+] ZINC001205603539 813018913 /nfs/dbraw/zinc/01/89/13/813018913.db2.gz PWUWVYHYSMGHQG-HUUCEWRRSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)CC[C@@H]1C[NH3+] ZINC001205603335 813019861 /nfs/dbraw/zinc/01/98/61/813019861.db2.gz ODJFMNCTNQQBIV-WDEREUQCSA-N 2 1 272.845 3.208 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205603103 813020274 /nfs/dbraw/zinc/02/02/74/813020274.db2.gz NRCWYRQSFRQVSU-WMLDXEAASA-N 2 1 260.425 3.056 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)ccc2c1 ZINC001205617591 813026537 /nfs/dbraw/zinc/02/65/37/813026537.db2.gz LERVNSVSQNCISH-NVXWUHKLSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1C[NH3+] ZINC001205617378 813026581 /nfs/dbraw/zinc/02/65/81/813026581.db2.gz JHWJHVAOTUNZEZ-DOMZBBRYSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1C[NH3+] ZINC001205618513 813029414 /nfs/dbraw/zinc/02/94/14/813029414.db2.gz WSESOFOKIHAQCF-YPMHNXCESA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@@H]1C[NH3+] ZINC001205628459 813033578 /nfs/dbraw/zinc/03/35/78/813033578.db2.gz VGJWHGDHRDMXTL-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205628279 813034772 /nfs/dbraw/zinc/03/47/72/813034772.db2.gz UNNJZHZEYZXHJM-UONOGXRCSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205639164 813037414 /nfs/dbraw/zinc/03/74/14/813037414.db2.gz WTAZEGKTURFEBO-CHWSQXEVSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ncsc3c2)CC[C@@H]1C[NH3+] ZINC001205638867 813038611 /nfs/dbraw/zinc/03/86/11/813038611.db2.gz SRKCRRPQKLOFMG-TZMCWYRMSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3occc32)CC[C@@H]1C[NH3+] ZINC001205653786 813041614 /nfs/dbraw/zinc/04/16/14/813041614.db2.gz VLKHCHDFOCVFPB-ZIAGYGMSSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c3ccoc3ccc2F)CC[C@@H]1C[NH3+] ZINC001205654172 813041932 /nfs/dbraw/zinc/04/19/32/813041932.db2.gz WPLXFKOYUDCLAG-CHWSQXEVSA-N 2 1 290.382 3.379 20 0 CGADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205652319 813042087 /nfs/dbraw/zinc/04/20/87/813042087.db2.gz PGAUPZNFHINOMS-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c12 ZINC001205651856 813042172 /nfs/dbraw/zinc/04/21/72/813042172.db2.gz KSKJSWSGPFVDOZ-ZBFHGGJFSA-N 2 1 297.446 3.350 20 0 CGADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Cl ZINC001205652318 813042957 /nfs/dbraw/zinc/04/29/57/813042957.db2.gz PGAUPZNFHINOMS-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205654569 813043605 /nfs/dbraw/zinc/04/36/05/813043605.db2.gz XJFVBGHUQNCLJG-WFASDCNBSA-N 2 1 278.415 3.249 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])cccc2n1 ZINC001205855880 813110443 /nfs/dbraw/zinc/11/04/43/813110443.db2.gz QFPABTOUMHCLOC-CJNGLKHVSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])cccc2n1 ZINC001205855880 813110447 /nfs/dbraw/zinc/11/04/47/813110447.db2.gz QFPABTOUMHCLOC-CJNGLKHVSA-N 2 1 283.419 3.102 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)C1(C)C ZINC001205863262 813112541 /nfs/dbraw/zinc/11/25/41/813112541.db2.gz NQYKWXPFUVBHNK-SNPRPXQTSA-N 2 1 250.430 3.038 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205862827 813112739 /nfs/dbraw/zinc/11/27/39/813112739.db2.gz AFZOUOMREXMALT-OAGGEKHMSA-N 2 1 284.488 3.277 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1CC ZINC001205902540 813124851 /nfs/dbraw/zinc/12/48/51/813124851.db2.gz KEDXNCCJXVCLBA-YOEHRIQHSA-N 2 1 290.451 3.207 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2ccccc21 ZINC001205904417 813126177 /nfs/dbraw/zinc/12/61/77/813126177.db2.gz VAWVWJGLASPTEB-HOCLYGCPSA-N 2 1 268.404 3.399 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)c2c1 ZINC001205904226 813126426 /nfs/dbraw/zinc/12/64/26/813126426.db2.gz TUMVHMSNBDTKJN-ZIAGYGMSSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1C ZINC001205912746 813129343 /nfs/dbraw/zinc/12/93/43/813129343.db2.gz BXKGGKXIVQCDBI-JKSUJKDBSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205916013 813131330 /nfs/dbraw/zinc/13/13/30/813131330.db2.gz RKMGIGTTZCROOO-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923034 813135360 /nfs/dbraw/zinc/13/53/60/813135360.db2.gz GYDFSWVJZRQTHX-CVEARBPZSA-N 2 1 290.451 3.341 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(F)c1 ZINC001205923235 813135570 /nfs/dbraw/zinc/13/55/70/813135570.db2.gz LJWAEHKFOBVPSJ-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(F)c1 ZINC001205923235 813135575 /nfs/dbraw/zinc/13/55/75/813135575.db2.gz LJWAEHKFOBVPSJ-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC001205988689 813154087 /nfs/dbraw/zinc/15/40/87/813154087.db2.gz HXPUERDFOKEFRA-IBGZPJMESA-N 2 1 286.463 3.264 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC001205988689 813154091 /nfs/dbraw/zinc/15/40/91/813154091.db2.gz HXPUERDFOKEFRA-IBGZPJMESA-N 2 1 286.463 3.264 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC001205988689 813154094 /nfs/dbraw/zinc/15/40/94/813154094.db2.gz HXPUERDFOKEFRA-IBGZPJMESA-N 2 1 286.463 3.264 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205992069 813155067 /nfs/dbraw/zinc/15/50/67/813155067.db2.gz DFYYXWWILUYKNE-CVEARBPZSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)cc2c1 ZINC001205993051 813155919 /nfs/dbraw/zinc/15/59/19/813155919.db2.gz GVDXCGUVDLYZQC-GJZGRUSLSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)CCC[C@H]1C[NH3+] ZINC001205996169 813156562 /nfs/dbraw/zinc/15/65/62/813156562.db2.gz VQCKBDVUEIZYHO-QWRGUYRKSA-N 2 1 272.845 3.208 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205995883 813156635 /nfs/dbraw/zinc/15/66/35/813156635.db2.gz RJEATLAXDQZYIE-DOTOQJQBSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001205995897 813156725 /nfs/dbraw/zinc/15/67/25/813156725.db2.gz RPWXWMHTQVJPOI-WCQYABFASA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[C@@H]1C[NH3+] ZINC001205996143 813156981 /nfs/dbraw/zinc/15/69/81/813156981.db2.gz VELZCUFUYRUVJW-GXTWGEPZSA-N 2 1 266.816 3.147 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CCC[C@H]1C[NH3+] ZINC001205995763 813157446 /nfs/dbraw/zinc/15/74/46/813157446.db2.gz QAZLQLWHOZSKMD-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCC[C@@H]1C[NH3+] ZINC001206004158 813161338 /nfs/dbraw/zinc/16/13/38/813161338.db2.gz QUEMEIVNXKWEBY-DZGCQCFKSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccoc32)CCC[C@@H]1C[NH3+] ZINC001206023737 813168632 /nfs/dbraw/zinc/16/86/32/813168632.db2.gz GJTIUSSVGNIZKU-UKRRQHHQSA-N 2 1 272.392 3.240 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206024405 813170249 /nfs/dbraw/zinc/17/02/49/813170249.db2.gz JKRCMTKWEYVWCJ-WBVHZDCISA-N 2 1 274.452 3.364 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206036419 813175513 /nfs/dbraw/zinc/17/55/13/813175513.db2.gz JIBJLVKADOHOOB-XABYNWHXSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206036419 813175517 /nfs/dbraw/zinc/17/55/17/813175517.db2.gz JIBJLVKADOHOOB-XABYNWHXSA-N 2 1 278.827 3.113 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001206049359 813181818 /nfs/dbraw/zinc/18/18/18/813181818.db2.gz JQWMJEZBVIZHLY-IRXDYDNUSA-N 2 1 276.399 3.495 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206157405 813218163 /nfs/dbraw/zinc/21/81/63/813218163.db2.gz YICZDMUHSKXZBK-SJORKVTESA-N 2 1 278.415 3.114 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206157405 813218169 /nfs/dbraw/zinc/21/81/69/813218169.db2.gz YICZDMUHSKXZBK-SJORKVTESA-N 2 1 278.415 3.114 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC[C@@H]1F ZINC001206163984 813220480 /nfs/dbraw/zinc/22/04/80/813220480.db2.gz ILABWTSIWHWMHP-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC[C@@H]1F ZINC001206163984 813220485 /nfs/dbraw/zinc/22/04/85/813220485.db2.gz ILABWTSIWHWMHP-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Cl)CC[C@H]1F ZINC001206165519 813222328 /nfs/dbraw/zinc/22/23/28/813222328.db2.gz NRSMFNWTLSWROQ-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC[C@H]1F ZINC001206165519 813222331 /nfs/dbraw/zinc/22/23/31/813222331.db2.gz NRSMFNWTLSWROQ-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206164855 813222337 /nfs/dbraw/zinc/22/23/37/813222337.db2.gz LNTFAZRHCFHYBG-HOTGVXAUSA-N 2 1 278.415 3.245 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Cl ZINC001206197997 813236794 /nfs/dbraw/zinc/23/67/94/813236794.db2.gz KSHZCIXTTFKAAQ-CABCVRRESA-N 2 1 284.806 3.164 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Cl ZINC001206197997 813236797 /nfs/dbraw/zinc/23/67/97/813236797.db2.gz KSHZCIXTTFKAAQ-CABCVRRESA-N 2 1 284.806 3.164 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206277539 813268287 /nfs/dbraw/zinc/26/82/87/813268287.db2.gz ULCSIJRVUDODCD-HNNXBMFYSA-N 2 1 260.425 3.071 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206277539 813268288 /nfs/dbraw/zinc/26/82/88/813268288.db2.gz ULCSIJRVUDODCD-HNNXBMFYSA-N 2 1 260.425 3.071 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304910 813282342 /nfs/dbraw/zinc/28/23/42/813282342.db2.gz RAQVJBNBZAUOGY-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cnc1C1CC1 ZINC001206326509 813289833 /nfs/dbraw/zinc/28/98/33/813289833.db2.gz ONEMCLDZSODKKN-GOSISDBHSA-N 2 1 287.451 3.218 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(C)s1 ZINC001206344051 813296399 /nfs/dbraw/zinc/29/63/99/813296399.db2.gz LZOZPZLMHFEHDB-AWEZNQCLSA-N 2 1 270.417 3.018 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(C)s1 ZINC001206344051 813296403 /nfs/dbraw/zinc/29/64/03/813296403.db2.gz LZOZPZLMHFEHDB-AWEZNQCLSA-N 2 1 270.417 3.018 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc3ccoc32)C1 ZINC001206369603 813305864 /nfs/dbraw/zinc/30/58/64/813305864.db2.gz GHHKANKRWRKSJQ-MRXNPFEDSA-N 2 1 276.355 3.086 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001206369603 813305869 /nfs/dbraw/zinc/30/58/69/813305869.db2.gz GHHKANKRWRKSJQ-MRXNPFEDSA-N 2 1 276.355 3.086 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC001206556499 813351710 /nfs/dbraw/zinc/35/17/10/813351710.db2.gz TVQARIODOLCYMV-SFHVURJKSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC001206556499 813351714 /nfs/dbraw/zinc/35/17/14/813351714.db2.gz TVQARIODOLCYMV-SFHVURJKSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001206555365 813352699 /nfs/dbraw/zinc/35/26/99/813352699.db2.gz JTEIDSFPMWHXQL-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP CSc1ccccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206563664 813354392 /nfs/dbraw/zinc/35/43/92/813354392.db2.gz GQHYDSXHKNOGAK-INIZCTEOSA-N 2 1 278.465 3.359 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582977 813361508 /nfs/dbraw/zinc/36/15/08/813361508.db2.gz RBKCQLHLJFDDNN-OAHLLOKOSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582977 813361515 /nfs/dbraw/zinc/36/15/15/813361515.db2.gz RBKCQLHLJFDDNN-OAHLLOKOSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582697 813361997 /nfs/dbraw/zinc/36/19/97/813361997.db2.gz OMXPGSNQWICVTO-HNNXBMFYSA-N 2 1 264.388 3.178 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206583817 813363643 /nfs/dbraw/zinc/36/36/43/813363643.db2.gz WWLGMJMHQSSVJT-MRXNPFEDSA-N 2 1 264.388 3.178 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589988 813366557 /nfs/dbraw/zinc/36/65/57/813366557.db2.gz KBEWNMNWSCGOJF-QGZVFWFLSA-N 2 1 278.415 3.487 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001206615913 813375625 /nfs/dbraw/zinc/37/56/25/813375625.db2.gz KIPGYSYMUCHBNP-QGZVFWFLSA-N 2 1 295.430 3.309 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c3ccoc3ccc2F)C1 ZINC001206648210 813387109 /nfs/dbraw/zinc/38/71/09/813387109.db2.gz MNLYPKHTQIBNQN-GFCCVEGCSA-N 2 1 276.355 3.133 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001206730779 813411510 /nfs/dbraw/zinc/41/15/10/813411510.db2.gz ZRDADYOPTSTXAT-UHFFFAOYSA-N 2 1 266.388 3.134 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)C1(C)C ZINC001206760732 813426289 /nfs/dbraw/zinc/42/62/89/813426289.db2.gz KURIEGGGKLXBKW-HRCADAONSA-N 2 1 264.457 3.428 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCCCCc1ccccc1 ZINC001206761068 813426528 /nfs/dbraw/zinc/42/65/28/813426528.db2.gz SLXAXXZJYDFCAP-SJLPKXTDSA-N 2 1 274.452 3.459 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)s1 ZINC001206769683 813431789 /nfs/dbraw/zinc/43/17/89/813431789.db2.gz PGCXDHSPFOICCQ-QWHCGFSZSA-N 2 1 266.454 3.260 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc2cccccc1-2 ZINC001206805666 813441323 /nfs/dbraw/zinc/44/13/23/813441323.db2.gz CDOZDYFZAVBNRL-GJZGRUSLSA-N 2 1 268.404 3.351 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001207282033 813533462 /nfs/dbraw/zinc/53/34/62/813533462.db2.gz CZXJRHFAUVIMQQ-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001207283641 813533919 /nfs/dbraw/zinc/53/39/19/813533919.db2.gz BPXIREIKTAOZJW-MRXNPFEDSA-N 2 1 260.425 3.194 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001207287157 813536907 /nfs/dbraw/zinc/53/69/07/813536907.db2.gz YMYQHZLJZDYSMO-UHFFFAOYSA-N 2 1 282.859 3.402 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001207399036 813556470 /nfs/dbraw/zinc/55/64/70/813556470.db2.gz WFTUTBNGXSQPLU-INIZCTEOSA-N 2 1 292.854 3.471 20 0 CGADMP Fc1ccccc1[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207437162 813565065 /nfs/dbraw/zinc/56/50/65/813565065.db2.gz BNMIOFGSALVIGX-QGZVFWFLSA-N 2 1 276.399 3.352 20 0 CGADMP C[N@@H+](C[C@@H]1CCCOC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207470378 813571451 /nfs/dbraw/zinc/57/14/51/813571451.db2.gz UTEAGEUORRLFSK-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001207486296 813572613 /nfs/dbraw/zinc/57/26/13/813572613.db2.gz FVSAULUEOXTNRX-KRWDZBQOSA-N 2 1 290.426 3.347 20 0 CGADMP Cc1cccc2c1CC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207479982 813572695 /nfs/dbraw/zinc/57/26/95/813572695.db2.gz RDXDOKBBSQKOMO-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001207484479 813573185 /nfs/dbraw/zinc/57/31/85/813573185.db2.gz LYIZSYTUXKJTPG-SFHVURJKSA-N 2 1 287.451 3.341 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCC23CCCCC3)CC1 ZINC001207482315 813573198 /nfs/dbraw/zinc/57/31/98/813573198.db2.gz UFHFWLLEAPAJGQ-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001207593295 813605073 /nfs/dbraw/zinc/60/50/73/813605073.db2.gz ICDWKBFSAZMPKZ-NVXWUHKLSA-N 2 1 292.854 3.156 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001207835344 813656644 /nfs/dbraw/zinc/65/66/44/813656644.db2.gz BEVATHDADMYHBI-OWUKFGMTSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)cn1 ZINC001208108229 813694716 /nfs/dbraw/zinc/69/47/16/813694716.db2.gz BNDIMHNZRQSZST-QGZVFWFLSA-N 2 1 287.451 3.259 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208186394 813735091 /nfs/dbraw/zinc/73/50/91/813735091.db2.gz PXAWAZYQOWEEEO-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+](C)CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CCCC1 ZINC001208184815 813735169 /nfs/dbraw/zinc/73/51/69/813735169.db2.gz PVOZYZNUPGCZCS-OKILXGFUSA-N 2 1 286.410 3.086 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001208190598 813737861 /nfs/dbraw/zinc/73/78/61/813737861.db2.gz KSXSABCWUPTKLY-FDICQLOXSA-N 2 1 294.483 3.166 20 0 CGADMP CC/C=C\CCCCC[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001208190598 813737875 /nfs/dbraw/zinc/73/78/75/813737875.db2.gz KSXSABCWUPTKLY-FDICQLOXSA-N 2 1 294.483 3.166 20 0 CGADMP CC/C=C\CCCCC[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001208190598 813737877 /nfs/dbraw/zinc/73/78/77/813737877.db2.gz KSXSABCWUPTKLY-FDICQLOXSA-N 2 1 294.483 3.166 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCc2ccccc2F)CC1 ZINC001208602819 813770538 /nfs/dbraw/zinc/77/05/38/813770538.db2.gz OHLLNQNFXVVQTO-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605972 813771054 /nfs/dbraw/zinc/77/10/54/813771054.db2.gz CSLVUIDSTDVEMH-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605972 813771057 /nfs/dbraw/zinc/77/10/57/813771057.db2.gz CSLVUIDSTDVEMH-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605972 813771061 /nfs/dbraw/zinc/77/10/61/813771061.db2.gz CSLVUIDSTDVEMH-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605972 813771064 /nfs/dbraw/zinc/77/10/64/813771064.db2.gz CSLVUIDSTDVEMH-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](CCC3CC3)CC1)C2 ZINC001208685122 813794877 /nfs/dbraw/zinc/79/48/77/813794877.db2.gz SLDSMOHWKHVORT-UHFFFAOYSA-N 2 1 284.447 3.309 20 0 CGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](CCC3CC3)CC1)C2 ZINC001208685122 813794881 /nfs/dbraw/zinc/79/48/81/813794881.db2.gz SLDSMOHWKHVORT-UHFFFAOYSA-N 2 1 284.447 3.309 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H]1CCC=CO1 ZINC001208882092 813879856 /nfs/dbraw/zinc/87/98/56/813879856.db2.gz HSVOHSNUDUCCPY-GVDBMIGSSA-N 2 1 278.440 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC001208882092 813879868 /nfs/dbraw/zinc/87/98/68/813879868.db2.gz HSVOHSNUDUCCPY-GVDBMIGSSA-N 2 1 278.440 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H]1CCC=CO1 ZINC001208882092 813879878 /nfs/dbraw/zinc/87/98/78/813879878.db2.gz HSVOHSNUDUCCPY-GVDBMIGSSA-N 2 1 278.440 3.018 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208955231 813911489 /nfs/dbraw/zinc/91/14/89/813911489.db2.gz YXKWMWPFFAOYEL-LMMKCTJWSA-N 2 1 286.463 3.486 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]2C1 ZINC001209233226 813976882 /nfs/dbraw/zinc/97/68/82/813976882.db2.gz UJYVJZZQPKFQOH-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CCCCCc3ccccc3)C[C@@H]2C1 ZINC001209233226 813976887 /nfs/dbraw/zinc/97/68/87/813976887.db2.gz UJYVJZZQPKFQOH-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001209386427 814008811 /nfs/dbraw/zinc/00/88/11/814008811.db2.gz CSOPXBUWRUZCMO-HOTGVXAUSA-N 2 1 296.499 3.242 20 0 CGADMP CC[N@H+]1CCc2cc(-c3ccc4c(c3)C[NH2+]C4)ccc2C1 ZINC001242676168 823095785 /nfs/dbraw/zinc/09/57/85/823095785.db2.gz OANNXYRBBAKYMW-UHFFFAOYSA-N 2 1 278.399 3.335 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209432271 814033671 /nfs/dbraw/zinc/03/36/71/814033671.db2.gz PXOPJJBEZUXZEZ-HOCLYGCPSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209432271 814033678 /nfs/dbraw/zinc/03/36/78/814033678.db2.gz PXOPJJBEZUXZEZ-HOCLYGCPSA-N 2 1 290.426 3.378 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)CC1CCCCC1 ZINC001209451309 814047957 /nfs/dbraw/zinc/04/79/57/814047957.db2.gz UGIMTWUPCVINCM-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP Cc1ccccc1N(C)c1ccc(C[NH+]2CC(C[NH3+])C2)cc1 ZINC001210543633 814517793 /nfs/dbraw/zinc/51/77/93/814517793.db2.gz GZSULXDOHIKOFV-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH2+]Cc1cccc(Nc2ccc3c(c2)C[N@H+](C)CC3)c1 ZINC001211142249 814837358 /nfs/dbraw/zinc/83/73/58/814837358.db2.gz NNCVWODKEIJFRT-UHFFFAOYSA-N 2 1 281.403 3.138 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148439 816359773 /nfs/dbraw/zinc/35/97/73/816359773.db2.gz OWXCERWMMFRRMS-GOSISDBHSA-N 2 1 272.436 3.386 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C1CC1 ZINC001222154617 816362380 /nfs/dbraw/zinc/36/23/80/816362380.db2.gz OIKTXCGYJPJVCR-GOSISDBHSA-N 2 1 288.410 3.279 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C1CC1 ZINC001222154617 816362389 /nfs/dbraw/zinc/36/23/89/816362389.db2.gz OIKTXCGYJPJVCR-GOSISDBHSA-N 2 1 288.410 3.279 20 0 CGADMP Oc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161386 816365940 /nfs/dbraw/zinc/36/59/40/816365940.db2.gz NHEXRBLIFIXDCP-GOSISDBHSA-N 2 1 288.435 3.138 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222231593 816380287 /nfs/dbraw/zinc/38/02/87/816380287.db2.gz NXQPFCVZSANABR-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1C ZINC001222237933 816383086 /nfs/dbraw/zinc/38/30/86/816383086.db2.gz XFNYVSJJFXBROC-QGZVFWFLSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1C ZINC001222237933 816383091 /nfs/dbraw/zinc/38/30/91/816383091.db2.gz XFNYVSJJFXBROC-QGZVFWFLSA-N 2 1 258.409 3.021 20 0 CGADMP CCn1ccc2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc21 ZINC001222243600 816384354 /nfs/dbraw/zinc/38/43/54/816384354.db2.gz NBFIGZMWQGOKBS-LJQANCHMSA-N 2 1 297.446 3.379 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc21 ZINC001222243600 816384360 /nfs/dbraw/zinc/38/43/60/816384360.db2.gz NBFIGZMWQGOKBS-LJQANCHMSA-N 2 1 297.446 3.379 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2n1 ZINC001222248202 816385833 /nfs/dbraw/zinc/38/58/33/816385833.db2.gz JETDRDBDVNRJEN-LJQANCHMSA-N 2 1 295.430 3.261 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2n1 ZINC001222248202 816385838 /nfs/dbraw/zinc/38/58/38/816385838.db2.gz JETDRDBDVNRJEN-LJQANCHMSA-N 2 1 295.430 3.261 20 0 CGADMP c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222253174 816387233 /nfs/dbraw/zinc/38/72/33/816387233.db2.gz NKGOLMUPADMOSY-SFHVURJKSA-N 2 1 270.420 3.282 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222253174 816387239 /nfs/dbraw/zinc/38/72/39/816387239.db2.gz NKGOLMUPADMOSY-SFHVURJKSA-N 2 1 270.420 3.282 20 0 CGADMP c1cc2cccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c2o1 ZINC001222252484 816388110 /nfs/dbraw/zinc/38/81/10/816388110.db2.gz FSJCUHORTZTWMX-KRWDZBQOSA-N 2 1 270.376 3.151 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c2o1 ZINC001222252484 816388115 /nfs/dbraw/zinc/38/81/15/816388115.db2.gz FSJCUHORTZTWMX-KRWDZBQOSA-N 2 1 270.376 3.151 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001222258932 816389811 /nfs/dbraw/zinc/38/98/11/816389811.db2.gz JDHAMLMTKYETIO-BZSNNMDCSA-N 2 1 276.468 3.444 20 0 CGADMP Cc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264892 816390765 /nfs/dbraw/zinc/39/07/65/816390765.db2.gz KIXIRBHKMOCAEZ-QGZVFWFLSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264892 816390771 /nfs/dbraw/zinc/39/07/71/816390771.db2.gz KIXIRBHKMOCAEZ-QGZVFWFLSA-N 2 1 276.399 3.100 20 0 CGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310869 816404889 /nfs/dbraw/zinc/40/48/89/816404889.db2.gz XEGWKOWLGWGNME-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222314551 816406039 /nfs/dbraw/zinc/40/60/39/816406039.db2.gz HQEIRHRWEHFHGZ-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP Clc1ccc([C@H]2C[C@@H]2C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335358 816410933 /nfs/dbraw/zinc/41/09/33/816410933.db2.gz ISMGHLXWUWAABD-GDBMZVCRSA-N 2 1 290.838 3.129 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335501 816411018 /nfs/dbraw/zinc/41/10/18/816411018.db2.gz RJARLOMOGWGAEP-MRXNPFEDSA-N 2 1 264.457 3.444 20 0 CGADMP C[C@@H](C[NH+]1CC2(C1)CC[NH2+]C2)c1cccc2ccccc21 ZINC001222379941 816423248 /nfs/dbraw/zinc/42/32/48/816423248.db2.gz PGOMMCUEQAZWRE-HNNXBMFYSA-N 2 1 280.415 3.239 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCCC2(CCCC2)C1 ZINC001222401079 816433769 /nfs/dbraw/zinc/43/37/69/816433769.db2.gz POQXXVZGNOOMEW-UHFFFAOYSA-N 2 1 276.468 3.422 20 0 CGADMP CC1(C[N@H+]2CCCC3(CCCC3)C2)CC[NH2+]CC1 ZINC001222400675 816434246 /nfs/dbraw/zinc/43/42/46/816434246.db2.gz DBKCPYVQCSLAJP-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222616016 816478756 /nfs/dbraw/zinc/47/87/56/816478756.db2.gz VNXDHBQFYUTMDO-ZWKOTPCHSA-N 2 1 272.436 3.036 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620449 816480392 /nfs/dbraw/zinc/48/03/92/816480392.db2.gz SPKUGMCAMSGWBP-DZGCQCFKSA-N 2 1 286.444 3.394 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c2ccccc12 ZINC001222620436 816480944 /nfs/dbraw/zinc/48/09/44/816480944.db2.gz RXVQWNOEWZYNCT-SCLBCKFNSA-N 2 1 284.378 3.163 20 0 CGADMP C[NH2+]Cc1ccc(-c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)cc1 ZINC001242993475 823202209 /nfs/dbraw/zinc/20/22/09/823202209.db2.gz FILPHPLZEROFDG-LJQANCHMSA-N 2 1 280.415 3.492 20 0 CGADMP C[NH2+]Cc1ccc(-c2cccc(C(=[NH2+])OC)c2)cc1 ZINC001242993612 823202336 /nfs/dbraw/zinc/20/23/36/823202336.db2.gz DDHMWOWODVPKGB-UHFFFAOYSA-N 2 1 254.333 3.045 20 0 CGADMP FC(F)(F)[C@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015039 818233195 /nfs/dbraw/zinc/23/31/95/818233195.db2.gz QVQXYQGKHBTCJL-NSHDSACASA-N 2 1 283.297 3.337 20 0 CGADMP FC(F)(F)[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015039 818233201 /nfs/dbraw/zinc/23/32/01/818233201.db2.gz QVQXYQGKHBTCJL-NSHDSACASA-N 2 1 283.297 3.337 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)nc2C)CC1 ZINC001232083269 818249425 /nfs/dbraw/zinc/24/94/25/818249425.db2.gz WUYOXZFFIYUANN-UHFFFAOYSA-N 2 1 289.467 3.395 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)nc2C)CC1 ZINC001232083269 818249431 /nfs/dbraw/zinc/24/94/31/818249431.db2.gz WUYOXZFFIYUANN-UHFFFAOYSA-N 2 1 289.467 3.395 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@](C)(F)C2)c1 ZINC001232144984 818263613 /nfs/dbraw/zinc/26/36/13/818263613.db2.gz QNKSXXUBXRKHIZ-MRXNPFEDSA-N 2 1 282.378 3.211 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@](C)(F)C2)c1 ZINC001232144984 818263618 /nfs/dbraw/zinc/26/36/18/818263618.db2.gz QNKSXXUBXRKHIZ-MRXNPFEDSA-N 2 1 282.378 3.211 20 0 CGADMP CC[C@H]1CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232147220 818263782 /nfs/dbraw/zinc/26/37/82/818263782.db2.gz MFFOHZAWPAEROQ-INIZCTEOSA-N 2 1 264.388 3.262 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1(C)C ZINC001234993372 818969476 /nfs/dbraw/zinc/96/94/76/818969476.db2.gz NDNCVDHUPUMLFH-FUHWJXTLSA-N 2 1 276.468 3.444 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1(C)C ZINC001234993374 818972263 /nfs/dbraw/zinc/97/22/63/818972263.db2.gz NDNCVDHUPUMLFH-WMZOPIPTSA-N 2 1 276.468 3.444 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2o1 ZINC001234998260 818973721 /nfs/dbraw/zinc/97/37/21/818973721.db2.gz GYZOBUINNCRPFF-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1(C)C ZINC001235018734 818980617 /nfs/dbraw/zinc/98/06/17/818980617.db2.gz UVQLUWGIOOAMKL-HRCADAONSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1(C)C ZINC001235018734 818980620 /nfs/dbraw/zinc/98/06/20/818980620.db2.gz UVQLUWGIOOAMKL-HRCADAONSA-N 2 1 262.441 3.053 20 0 CGADMP Cc1c(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cccc1-c1ccccc1 ZINC001235033125 818984581 /nfs/dbraw/zinc/98/45/81/818984581.db2.gz UGASDYQYNWIQPK-AZUAARDMSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1c(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cccc1-c1ccccc1 ZINC001235033125 818984587 /nfs/dbraw/zinc/98/45/87/818984587.db2.gz UGASDYQYNWIQPK-AZUAARDMSA-N 2 1 292.426 3.456 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035136 818986570 /nfs/dbraw/zinc/98/65/70/818986570.db2.gz BJVJXLSYVUEZCV-RCCFBDPRSA-N 2 1 294.483 3.069 20 0 CGADMP Cc1c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc(F)c1F ZINC001235037861 818986642 /nfs/dbraw/zinc/98/66/42/818986642.db2.gz IOJLKHHKOQJOLI-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc(F)c1F ZINC001235037861 818986649 /nfs/dbraw/zinc/98/66/49/818986649.db2.gz IOJLKHHKOQJOLI-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042648 818987723 /nfs/dbraw/zinc/98/77/23/818987723.db2.gz ZIZOVGGKYBMKSD-SFHVURJKSA-N 2 1 272.436 3.146 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1F ZINC001235041691 818989031 /nfs/dbraw/zinc/98/90/31/818989031.db2.gz RQDBHIIBZATRKU-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1F ZINC001235041691 818989034 /nfs/dbraw/zinc/98/90/34/818989034.db2.gz RQDBHIIBZATRKU-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046272 818990244 /nfs/dbraw/zinc/99/02/44/818990244.db2.gz OQPZKICSSJMKIK-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)ccc21 ZINC001235046194 818990516 /nfs/dbraw/zinc/99/05/16/818990516.db2.gz NSGNGVYBQYRSHW-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001235093134 818999671 /nfs/dbraw/zinc/99/96/71/818999671.db2.gz PPHDIPKJHKNBDH-HOTGVXAUSA-N 2 1 262.441 3.054 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC23CC[NH2+]CC3)C1(C)C ZINC001235103035 819002651 /nfs/dbraw/zinc/00/26/51/819002651.db2.gz QFWVILLQXBKNJH-OAHLLOKOSA-N 2 1 262.441 3.197 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110006 819005789 /nfs/dbraw/zinc/00/57/89/819005789.db2.gz GPUDYVURNCJCKY-XIRDDKMYSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110006 819005792 /nfs/dbraw/zinc/00/57/92/819005792.db2.gz GPUDYVURNCJCKY-XIRDDKMYSA-N 2 1 290.838 3.271 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@]23CC[NH2+]C3)C1(C)C ZINC001235111736 819007849 /nfs/dbraw/zinc/00/78/49/819007849.db2.gz SWMSWLMYUKIVTQ-WBVHZDCISA-N 2 1 262.441 3.197 20 0 CGADMP Fc1ccccc1CC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151892 819017959 /nfs/dbraw/zinc/01/79/59/819017959.db2.gz JEHFYTCWDYXXSV-SFHVURJKSA-N 2 1 290.426 3.222 20 0 CGADMP Fc1ccc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235151495 819018090 /nfs/dbraw/zinc/01/80/90/819018090.db2.gz GWVHGVKCTCHDMH-GOSISDBHSA-N 2 1 290.426 3.222 20 0 CGADMP COc1ccccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155968 819018636 /nfs/dbraw/zinc/01/86/36/819018636.db2.gz YXJDHODQYQDXQJ-QGZVFWFLSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186763 819027934 /nfs/dbraw/zinc/02/79/34/819027934.db2.gz KQKOGJZCHWXTOQ-BBWFWOEESA-N 2 1 264.457 3.300 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235253212 819049859 /nfs/dbraw/zinc/04/98/59/819049859.db2.gz CLFCROJYXAJSJG-TXCZRRACSA-N 2 1 290.838 3.127 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235252892 819049889 /nfs/dbraw/zinc/04/98/89/819049889.db2.gz ADEJWSPFBKRIMP-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235253204 819050057 /nfs/dbraw/zinc/05/00/57/819050057.db2.gz CLFCROJYXAJSJG-FSDCSDTHSA-N 2 1 290.838 3.127 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235254481 819050811 /nfs/dbraw/zinc/05/08/11/819050811.db2.gz JHMANTQPDFOFOP-ULQDDVLXSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)CC(C)(C)C ZINC001235255670 819051403 /nfs/dbraw/zinc/05/14/03/819051403.db2.gz NRTLJRJZDDWCGU-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)CC(C)(C)C ZINC001235255670 819051407 /nfs/dbraw/zinc/05/14/07/819051407.db2.gz NRTLJRJZDDWCGU-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+])c1cccc2ccccc21 ZINC001235257386 819052961 /nfs/dbraw/zinc/05/29/61/819052961.db2.gz YVUBHGJQXGJRRU-UEABVUSTSA-N 2 1 280.415 3.365 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235262689 819055190 /nfs/dbraw/zinc/05/51/90/819055190.db2.gz RVFGCNMWPXQHCT-FXAWDEMLSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235262689 819055193 /nfs/dbraw/zinc/05/51/93/819055193.db2.gz RVFGCNMWPXQHCT-FXAWDEMLSA-N 2 1 292.426 3.456 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235260985 819056260 /nfs/dbraw/zinc/05/62/60/819056260.db2.gz OQSZIKGRLXMBOI-MNEFBYGVSA-N 2 1 286.463 3.282 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC001235263815 819058012 /nfs/dbraw/zinc/05/80/12/819058012.db2.gz VHUCQNXZYRTASZ-UXHICEINSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC001235263815 819058020 /nfs/dbraw/zinc/05/80/20/819058020.db2.gz VHUCQNXZYRTASZ-UXHICEINSA-N 2 1 292.426 3.456 20 0 CGADMP CCCCOc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235271837 819059310 /nfs/dbraw/zinc/05/93/10/819059310.db2.gz PEXMVAAZNKEODX-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235271837 819059318 /nfs/dbraw/zinc/05/93/18/819059318.db2.gz PEXMVAAZNKEODX-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235273389 819059609 /nfs/dbraw/zinc/05/96/09/819059609.db2.gz SADUYBIIXDURDA-XJKSGUPXSA-N 2 1 286.444 3.394 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272565 819059785 /nfs/dbraw/zinc/05/97/85/819059785.db2.gz QISVLXZKODVZCF-RDJZCZTQSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272565 819059793 /nfs/dbraw/zinc/05/97/93/819059793.db2.gz QISVLXZKODVZCF-RDJZCZTQSA-N 2 1 288.435 3.048 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)cc2)c1 ZINC001235341623 819072633 /nfs/dbraw/zinc/07/26/33/819072633.db2.gz RQVQLGMYIQDLTN-INIZCTEOSA-N 2 1 298.455 3.456 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)C1(C)C ZINC001235409783 819087187 /nfs/dbraw/zinc/08/71/87/819087187.db2.gz WVWFZRDEKSKDJR-NUJGCVRESA-N 2 1 294.458 3.392 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410059 819089609 /nfs/dbraw/zinc/08/96/09/819089609.db2.gz XHFXEVVGXFXALY-ROUUACIJSA-N 2 1 290.426 3.081 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235423970 819092878 /nfs/dbraw/zinc/09/28/78/819092878.db2.gz HNDVQGKTRJRUCJ-RBUKOAKNSA-N 2 1 286.463 3.249 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc2[nH]1 ZINC001235426687 819093161 /nfs/dbraw/zinc/09/31/61/819093161.db2.gz QAMCFHBHOLIHKO-MSOLQXFVSA-N 2 1 297.446 3.380 20 0 CGADMP Cc1ccc(OCc2ccccc2)c(C[N@H+](C)CCC[NH3+])c1 ZINC001235435279 819097252 /nfs/dbraw/zinc/09/72/52/819097252.db2.gz GPLLDVQJECRSCF-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+](C)CCC[NH3+])c1 ZINC001235435279 819097257 /nfs/dbraw/zinc/09/72/57/819097257.db2.gz GPLLDVQJECRSCF-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235439325 819100313 /nfs/dbraw/zinc/10/03/13/819100313.db2.gz BWISMUASTGHAQI-DOTOQJQBSA-N 2 1 288.435 3.247 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235439325 819100314 /nfs/dbraw/zinc/10/03/14/819100314.db2.gz BWISMUASTGHAQI-DOTOQJQBSA-N 2 1 288.435 3.247 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(F)c(-c2ccccc2)c1 ZINC001235446610 819101211 /nfs/dbraw/zinc/10/12/11/819101211.db2.gz YYFJSYJZRYBFAT-UHFFFAOYSA-N 2 1 272.367 3.273 20 0 CGADMP CCCC[N@@H+](CCC)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235661986 819131727 /nfs/dbraw/zinc/13/17/27/819131727.db2.gz BQQIFDFFYLBAFF-UHFFFAOYSA-N 2 1 260.425 3.344 20 0 CGADMP CCCC[N@@H+](CCC)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235663763 819131809 /nfs/dbraw/zinc/13/18/09/819131809.db2.gz UCTGBAGNNNKFON-UHFFFAOYSA-N 2 1 266.454 3.406 20 0 CGADMP Cc1ccc(C[N@@H+](C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001235662852 819132580 /nfs/dbraw/zinc/13/25/80/819132580.db2.gz AHUCHAYSTPUVET-UHFFFAOYSA-N 2 1 286.444 3.334 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)CCCc1ccccc1 ZINC001235669839 819133628 /nfs/dbraw/zinc/13/36/28/819133628.db2.gz KXJAEPUIGBTFFE-GOEBONIOSA-N 2 1 296.405 3.042 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)CCCc1ccccc1 ZINC001235669839 819133630 /nfs/dbraw/zinc/13/36/30/819133630.db2.gz KXJAEPUIGBTFFE-GOEBONIOSA-N 2 1 296.405 3.042 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c2ccccc12 ZINC001235672838 819133966 /nfs/dbraw/zinc/13/39/66/819133966.db2.gz HYUWKAUJTUOVAC-HNNXBMFYSA-N 2 1 268.404 3.319 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@H]1C ZINC001235694794 819143613 /nfs/dbraw/zinc/14/36/13/819143613.db2.gz KKPDBASONBFQKE-GJZGRUSLSA-N 2 1 297.446 3.365 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235712342 819148292 /nfs/dbraw/zinc/14/82/92/819148292.db2.gz AJYDFNXHFWHIJJ-INIZCTEOSA-N 2 1 298.515 3.275 20 0 CGADMP Fc1ccc(F)c([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC001235714350 819149080 /nfs/dbraw/zinc/14/90/80/819149080.db2.gz JRGQLYXLOOIHAG-KRWDZBQOSA-N 2 1 294.389 3.491 20 0 CGADMP CCOc1cc(F)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717835 819152017 /nfs/dbraw/zinc/15/20/17/819152017.db2.gz NLFIYYXCJYMYHL-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001235750234 819160416 /nfs/dbraw/zinc/16/04/16/819160416.db2.gz MXYWNJFCTPOUTG-OAHLLOKOSA-N 2 1 284.378 3.273 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001235750292 819160445 /nfs/dbraw/zinc/16/04/45/819160445.db2.gz OTXIZHBYDXINNK-IBGZPJMESA-N 2 1 280.415 3.058 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)Cc1cccc(C[NH3+])c1 ZINC001235840265 819182488 /nfs/dbraw/zinc/18/24/88/819182488.db2.gz HCNCVCQFRGEIPI-UHFFFAOYSA-N 2 1 288.822 3.473 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(C[NH3+])cc1 ZINC001235840545 819182664 /nfs/dbraw/zinc/18/26/64/819182664.db2.gz PFTPGUFCTHNDDP-UHFFFAOYSA-N 2 1 288.822 3.473 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235843605 819184928 /nfs/dbraw/zinc/18/49/28/819184928.db2.gz ZPJJGOACYKYHDQ-KRWDZBQOSA-N 2 1 280.415 3.395 20 0 CGADMP c1c(C[N@H+]2CC3CCC2CC3)c2cccc3c2n1CC[NH2+]C3 ZINC001235888853 819198217 /nfs/dbraw/zinc/19/82/17/819198217.db2.gz QGPBPYMEHRHCQP-UHFFFAOYSA-N 2 1 295.430 3.119 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCCCc1ccccc1 ZINC001235925519 819224477 /nfs/dbraw/zinc/22/44/77/819224477.db2.gz RPKWFEWMVJNTNJ-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP c1csc(-c2ccccc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235939305 819234584 /nfs/dbraw/zinc/23/45/84/819234584.db2.gz OXCNSUFEGDBTCF-GOEBONIOSA-N 2 1 298.455 3.456 20 0 CGADMP COCC[N@@H+](CC[C@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235945345 819235253 /nfs/dbraw/zinc/23/52/53/819235253.db2.gz FXWGBEQQVCPAAT-QGZVFWFLSA-N 2 1 296.499 3.459 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CC2(C)CC[NH2+]CC2)c1 ZINC001235950118 819240464 /nfs/dbraw/zinc/24/04/64/819240464.db2.gz QDMKPQCSKMAXLF-QGZVFWFLSA-N 2 1 288.435 3.222 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC1(F)CC[NH2+]CC1 ZINC001235959318 819247857 /nfs/dbraw/zinc/24/78/57/819247857.db2.gz HEFYEBBUDWBALH-OAHLLOKOSA-N 2 1 264.388 3.161 20 0 CGADMP CCc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])ccc1Cl ZINC001235959220 819248274 /nfs/dbraw/zinc/24/82/74/819248274.db2.gz INMGAGKWBPXEPM-MIFYACCESA-N 2 1 278.827 3.072 20 0 CGADMP CCc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])ccc1Cl ZINC001235959220 819248279 /nfs/dbraw/zinc/24/82/79/819248279.db2.gz INMGAGKWBPXEPM-MIFYACCESA-N 2 1 278.827 3.072 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1ccccc1F ZINC001235960806 819249225 /nfs/dbraw/zinc/24/92/25/819249225.db2.gz ORUYYDBRMRHMDD-UHFFFAOYSA-N 2 1 272.367 3.307 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235979983 819257484 /nfs/dbraw/zinc/25/74/84/819257484.db2.gz PFPLNYVDDFPZBH-LSDHHAIUSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235979983 819257490 /nfs/dbraw/zinc/25/74/90/819257490.db2.gz PFPLNYVDDFPZBH-LSDHHAIUSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235984997 819259269 /nfs/dbraw/zinc/25/92/69/819259269.db2.gz ARDMNDLKPNIZJP-RDJZCZTQSA-N 2 1 284.428 3.338 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235984997 819259273 /nfs/dbraw/zinc/25/92/73/819259273.db2.gz ARDMNDLKPNIZJP-RDJZCZTQSA-N 2 1 284.428 3.338 20 0 CGADMP C[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCC(C(C)(C)C)CC1 ZINC001236009368 819274520 /nfs/dbraw/zinc/27/45/20/819274520.db2.gz SMBNXIGEHBNTEM-NRXISQOPSA-N 2 1 282.472 3.248 20 0 CGADMP C[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCC(C(C)(C)C)CC1 ZINC001236009368 819274527 /nfs/dbraw/zinc/27/45/27/819274527.db2.gz SMBNXIGEHBNTEM-NRXISQOPSA-N 2 1 282.472 3.248 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1cccc(F)c1 ZINC001236043357 819280198 /nfs/dbraw/zinc/28/01/98/819280198.db2.gz ZVJGGZGHOJPTCI-UHFFFAOYSA-N 2 1 272.367 3.307 20 0 CGADMP CC[N@H+](Cc1cccc(F)c1)CC1CC2(C1)CC[NH2+]CC2 ZINC001236043149 819280255 /nfs/dbraw/zinc/28/02/55/819280255.db2.gz WFNINHKFJPXDSS-UHFFFAOYSA-N 2 1 290.426 3.427 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236073752 819301849 /nfs/dbraw/zinc/30/18/49/819301849.db2.gz QPNLLLWLTUCRKR-DDKKJVIOSA-N 2 1 293.499 3.010 20 0 CGADMP c1ccc2c(c1)oc1c2CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001236086606 819308381 /nfs/dbraw/zinc/30/83/81/819308381.db2.gz MKIIOATYKOXMBD-AWEZNQCLSA-N 2 1 284.403 3.181 20 0 CGADMP COc1ccc2sc(C[N@@H+]3CCC[NH2+][C@@H](C)C3)cc2c1 ZINC001236100393 819318126 /nfs/dbraw/zinc/31/81/26/819318126.db2.gz GTNMOYIYEGAKBE-LBPRGKRZSA-N 2 1 290.432 3.094 20 0 CGADMP COc1ccc2sc(C[N@H+]3CCC[NH2+][C@@H](C)C3)cc2c1 ZINC001236100393 819318133 /nfs/dbraw/zinc/31/81/33/819318133.db2.gz GTNMOYIYEGAKBE-LBPRGKRZSA-N 2 1 290.432 3.094 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+](C)CCCC[NH3+] ZINC001236141274 819341263 /nfs/dbraw/zinc/34/12/63/819341263.db2.gz FZPOELOUXLYMQY-UHFFFAOYSA-N 2 1 278.440 3.261 20 0 CGADMP Cc1c(C)c(C[N@@H+](C)CCCC[NH3+])ccc1Br ZINC001236142225 819342288 /nfs/dbraw/zinc/34/22/88/819342288.db2.gz STSVVZGAPMLSAO-UHFFFAOYSA-N 2 1 299.256 3.237 20 0 CGADMP CCC[N@@H+](Cc1cccc(F)c1C)C1CC[NH2+]CC1 ZINC001236181053 819360019 /nfs/dbraw/zinc/36/00/19/819360019.db2.gz RRJDEVQQMHHWPS-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211818 819375049 /nfs/dbraw/zinc/37/50/49/819375049.db2.gz JJUYABBKCTZWLU-HOCLYGCPSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211818 819375055 /nfs/dbraw/zinc/37/50/55/819375055.db2.gz JJUYABBKCTZWLU-HOCLYGCPSA-N 2 1 275.371 3.009 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219194 819386755 /nfs/dbraw/zinc/38/67/55/819386755.db2.gz VMRUIDVOVGCUJN-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219194 819386758 /nfs/dbraw/zinc/38/67/58/819386758.db2.gz VMRUIDVOVGCUJN-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)C1(C)CC[NH2+]CC1 ZINC001236223235 819389836 /nfs/dbraw/zinc/38/98/36/819389836.db2.gz MABTYYHNMTXQGH-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1Cl)C1(C)CC[NH2+]CC1 ZINC001236224754 819391025 /nfs/dbraw/zinc/39/10/25/819391025.db2.gz WHXCOUUBUPUPJA-UHFFFAOYSA-N 2 1 284.806 3.096 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236314661 819421259 /nfs/dbraw/zinc/42/12/59/819421259.db2.gz RHUQHUFTKBQLLZ-BMFZPTHFSA-N 2 1 276.424 3.013 20 0 CGADMP CCCC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401247 819451302 /nfs/dbraw/zinc/45/13/02/819451302.db2.gz MKZGLSIIJXHMNQ-UHFFFAOYSA-N 2 1 264.388 3.180 20 0 CGADMP CC[N@H+](Cc1ccc(OC(C)(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407394 819454344 /nfs/dbraw/zinc/45/43/44/819454344.db2.gz DWWUJGNBWVKNMU-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP CC[N@H+](Cc1cccc(C(C)(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236407492 819454760 /nfs/dbraw/zinc/45/47/60/819454760.db2.gz GFRFHUMZMVPWND-INIZCTEOSA-N 2 1 274.452 3.416 20 0 CGADMP CC[N@H+](Cc1ccc(F)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236408429 819456158 /nfs/dbraw/zinc/45/61/58/819456158.db2.gz LWEBKKOUIBVWRN-AWEZNQCLSA-N 2 1 286.394 3.410 20 0 CGADMP CC[N@H+](Cc1cc(C)c(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236408868 819456541 /nfs/dbraw/zinc/45/65/41/819456541.db2.gz PRRQRXXHAXDFDX-INIZCTEOSA-N 2 1 260.425 3.043 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410978 819457291 /nfs/dbraw/zinc/45/72/91/819457291.db2.gz DRXHEJZEWQOCSV-BWTSREIZSA-N 2 1 296.389 3.142 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410978 819457294 /nfs/dbraw/zinc/45/72/94/819457294.db2.gz DRXHEJZEWQOCSV-BWTSREIZSA-N 2 1 296.389 3.142 20 0 CGADMP CC[N@H+](Cc1ccc(C)c(Cl)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236409739 819457718 /nfs/dbraw/zinc/45/77/18/819457718.db2.gz DCIZBHPTURMXCD-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP CC[N@@H+](Cc1cc2ccccc2cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236412133 819458513 /nfs/dbraw/zinc/45/85/13/819458513.db2.gz RTKOKFFNJBVSGP-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+](Cc1cc2ccccc2cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236412133 819458517 /nfs/dbraw/zinc/45/85/17/819458517.db2.gz RTKOKFFNJBVSGP-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236415670 819461272 /nfs/dbraw/zinc/46/12/72/819461272.db2.gz PHJSTDUNOGOZBV-XABYNWHXSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236415670 819461278 /nfs/dbraw/zinc/46/12/78/819461278.db2.gz PHJSTDUNOGOZBV-XABYNWHXSA-N 2 1 278.827 3.255 20 0 CGADMP Cc1ccccc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550652 819535564 /nfs/dbraw/zinc/53/55/64/819535564.db2.gz GEWKXSXBALXJLK-IYARVYRRSA-N 2 1 272.436 3.477 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636197 819556235 /nfs/dbraw/zinc/55/62/35/819556235.db2.gz AYILATXOGSWWNI-UHFFFAOYSA-N 2 1 294.389 3.380 20 0 CGADMP CCC(CC)[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783304 819594230 /nfs/dbraw/zinc/59/42/30/819594230.db2.gz SGGMMKQKMQHDCW-JFIYKMOQSA-N 3 1 295.515 3.137 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1(C)C ZINC001236818237 819605614 /nfs/dbraw/zinc/60/56/14/819605614.db2.gz HHFAJLDRWVEIQS-JJXSEGSLSA-N 2 1 262.441 3.038 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236819299 819606729 /nfs/dbraw/zinc/60/67/29/819606729.db2.gz MIYJVSKMAJJWAP-GLQYFDAESA-N 2 1 298.352 3.183 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c(OCC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842349 819618801 /nfs/dbraw/zinc/61/88/01/819618801.db2.gz FHLCAKHWSZAHBV-OAHLLOKOSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@H+](Cc1ccc(C2CC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236841879 819618852 /nfs/dbraw/zinc/61/88/52/819618852.db2.gz ANUOHYTWYUMXFB-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccccc1Br ZINC001236859628 819625161 /nfs/dbraw/zinc/62/51/61/819625161.db2.gz KSYYZMZOYDWWMD-ZDUSSCGKSA-N 2 1 299.256 3.051 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccccc1Br ZINC001236859628 819625162 /nfs/dbraw/zinc/62/51/62/819625162.db2.gz KSYYZMZOYDWWMD-ZDUSSCGKSA-N 2 1 299.256 3.051 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1ccc(F)cc1 ZINC001236899513 819634564 /nfs/dbraw/zinc/63/45/64/819634564.db2.gz KGABMIZJUOAQQD-ZDUSSCGKSA-N 2 1 272.367 3.272 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1ccc(F)cc1 ZINC001236899513 819634569 /nfs/dbraw/zinc/63/45/69/819634569.db2.gz KGABMIZJUOAQQD-ZDUSSCGKSA-N 2 1 272.367 3.272 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001237055213 819654217 /nfs/dbraw/zinc/65/42/17/819654217.db2.gz BJXBLJPRCNISNR-INIZCTEOSA-N 2 1 291.826 3.382 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001237055213 819654221 /nfs/dbraw/zinc/65/42/21/819654221.db2.gz BJXBLJPRCNISNR-INIZCTEOSA-N 2 1 291.826 3.382 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237055092 819654322 /nfs/dbraw/zinc/65/43/22/819654322.db2.gz AAOFIKNIYVBARL-GOSISDBHSA-N 2 1 290.451 3.282 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237060339 819656425 /nfs/dbraw/zinc/65/64/25/819656425.db2.gz ZYDPHBFDFAJIKT-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237107022 819668509 /nfs/dbraw/zinc/66/85/09/819668509.db2.gz KVHASDLHKXJHQU-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237107022 819668512 /nfs/dbraw/zinc/66/85/12/819668512.db2.gz KVHASDLHKXJHQU-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237107022 819668514 /nfs/dbraw/zinc/66/85/14/819668514.db2.gz KVHASDLHKXJHQU-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP c1cc2c(cc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1)CCCN2 ZINC001237154492 819680993 /nfs/dbraw/zinc/68/09/93/819680993.db2.gz CVLQJAYDLLEYOC-SFHVURJKSA-N 2 1 299.462 3.151 20 0 CGADMP c1cc2c(cc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1)CCCN2 ZINC001237154492 819680997 /nfs/dbraw/zinc/68/09/97/819680997.db2.gz CVLQJAYDLLEYOC-SFHVURJKSA-N 2 1 299.462 3.151 20 0 CGADMP c1ccc2c(c1)C[NH2+]C21CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001237358715 819735552 /nfs/dbraw/zinc/73/55/52/819735552.db2.gz JMYCGGTYYBVQKA-INIZCTEOSA-N 2 1 282.431 3.437 20 0 CGADMP FC(F)c1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394829 819743195 /nfs/dbraw/zinc/74/31/95/819743195.db2.gz WHWXNUNJEOWUNR-UKRRQHHQSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394829 819743199 /nfs/dbraw/zinc/74/31/99/819743199.db2.gz WHWXNUNJEOWUNR-UKRRQHHQSA-N 2 1 280.362 3.198 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2n1 ZINC001237404303 819745384 /nfs/dbraw/zinc/74/53/84/819745384.db2.gz NWPRQCYBKJHDFT-ZWKOTPCHSA-N 2 1 295.430 3.117 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)c1 ZINC001237407553 819745712 /nfs/dbraw/zinc/74/57/12/819745712.db2.gz YAJOPDJIXCXVDO-IEBWSBKVSA-N 2 1 295.430 3.051 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1C ZINC001237716689 819819984 /nfs/dbraw/zinc/81/99/84/819819984.db2.gz VKDPXWOWAJJBRT-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112103 819936502 /nfs/dbraw/zinc/93/65/02/819936502.db2.gz BKFYLBKRKOBDDJ-AWEZNQCLSA-N 2 1 295.361 3.463 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112103 819936506 /nfs/dbraw/zinc/93/65/06/819936506.db2.gz BKFYLBKRKOBDDJ-AWEZNQCLSA-N 2 1 295.361 3.463 20 0 CGADMP C[C@H]1CC[C@H]([N@H+](C)Cc2cccc3c[nH+]cn32)CC1 ZINC001238115174 819937286 /nfs/dbraw/zinc/93/72/86/819937286.db2.gz FTQZYZPTYJZKCW-HDJSIYSDSA-N 2 1 257.381 3.345 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc3c[nH+]cn32)CC1 ZINC001238115174 819937291 /nfs/dbraw/zinc/93/72/91/819937291.db2.gz FTQZYZPTYJZKCW-HDJSIYSDSA-N 2 1 257.381 3.345 20 0 CGADMP Cc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C)c1 ZINC001239809599 820624676 /nfs/dbraw/zinc/62/46/76/820624676.db2.gz IDNCJOCUJXBNCD-UHFFFAOYSA-N 2 1 277.371 3.305 20 0 CGADMP c1cc2c(cc[nH+]c2-c2ccc(C[NH+]3CCOCC3)cc2)[nH]1 ZINC001240473463 821078787 /nfs/dbraw/zinc/07/87/87/821078787.db2.gz LIUZLWYENKGLCF-UHFFFAOYSA-N 2 1 293.370 3.062 20 0 CGADMP Cc1c(F)cccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001240727978 821281826 /nfs/dbraw/zinc/28/18/26/821281826.db2.gz BEXLTJQRCDSOTL-UHFFFAOYSA-N 2 1 281.334 3.136 20 0 CGADMP C[N@@H+]1CC=C(c2ccc(SC3CC[NH2+]CC3)cc2)CC1 ZINC001241332746 821739333 /nfs/dbraw/zinc/73/93/33/821739333.db2.gz NZUVRORFGUPWCP-UHFFFAOYSA-N 2 1 288.460 3.250 20 0 CGADMP c1cc2c(cc[nH+]c2-c2cccc(C[NH+]3CCOCC3)c2)[nH]1 ZINC001241814435 822158700 /nfs/dbraw/zinc/15/87/00/822158700.db2.gz KEPAVHQKXHVJGD-UHFFFAOYSA-N 2 1 293.370 3.062 20 0 CGADMP CC[N@H+]1CCc2cc(-c3ccc(C[NH3+])cc3)ccc2C1 ZINC001241913102 822212684 /nfs/dbraw/zinc/21/26/84/822212684.db2.gz LWLGTCCBKKJOQD-UHFFFAOYSA-N 2 1 266.388 3.190 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001242090729 822345934 /nfs/dbraw/zinc/34/59/34/822345934.db2.gz ZZYYUFVXYWTPGZ-HNNXBMFYSA-N 2 1 253.349 3.064 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495992 936406171 /nfs/dbraw/zinc/40/61/71/936406171.db2.gz UCPBBOKYIKQARK-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495992 936406173 /nfs/dbraw/zinc/40/61/73/936406173.db2.gz UCPBBOKYIKQARK-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CC1(OC)CCCCCC1 ZINC001474503890 937863919 /nfs/dbraw/zinc/86/39/19/937863919.db2.gz VDNFRQAGHVCKMT-UHFFFAOYSA-N 2 1 284.488 3.390 20 0 CGADMP Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(C)n1 ZINC001345124170 936802417 /nfs/dbraw/zinc/80/24/17/936802417.db2.gz SIIRVKWAFVJGBO-VHRNVKJDSA-N 2 1 271.408 3.268 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1ccccc1OC(F)F ZINC001345483031 936812341 /nfs/dbraw/zinc/81/23/41/936812341.db2.gz PXXADQDWFROCMI-DGCLKSJQSA-N 2 1 286.366 3.327 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1F ZINC001346422297 936848410 /nfs/dbraw/zinc/84/84/10/936848410.db2.gz DDVKLERYYKESGX-UHFFFAOYSA-N 2 1 275.371 3.014 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1F ZINC001346422297 936848414 /nfs/dbraw/zinc/84/84/14/936848414.db2.gz DDVKLERYYKESGX-UHFFFAOYSA-N 2 1 275.371 3.014 20 0 CGADMP C[C@H]([NH2+]CCC[NH3+])c1cc(Cl)cc(Cl)c1F ZINC000692391329 926803100 /nfs/dbraw/zinc/80/31/00/926803100.db2.gz ZYUHZNLERXWQBN-ZETCQYMHSA-N 2 1 265.159 3.132 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]2C1 ZINC001355374553 937138499 /nfs/dbraw/zinc/13/84/99/937138499.db2.gz VAACOBMJQRREHD-HVWXGUPWSA-N 2 1 284.447 3.362 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(F)c1 ZINC001275426970 928522033 /nfs/dbraw/zinc/52/20/33/928522033.db2.gz HSKPTDYSFKTPII-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1nc(C)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC001461432707 928755298 /nfs/dbraw/zinc/75/52/98/928755298.db2.gz RUTPUUWSHHJQHT-LBPRGKRZSA-N 2 1 281.469 3.114 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC001462263814 928785297 /nfs/dbraw/zinc/78/52/97/928785297.db2.gz HRWMYMWVQBWNIL-SQNIBIBYSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC001459796007 937501208 /nfs/dbraw/zinc/50/12/08/937501208.db2.gz BXSNFSCWZXXCSB-MRXNPFEDSA-N 2 1 275.371 3.233 20 0 CGADMP CC1(C)CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001460046270 937512809 /nfs/dbraw/zinc/51/28/09/937512809.db2.gz LHVUKXIOUXDHCU-KDURUIRLSA-N 2 1 298.474 3.486 20 0 CGADMP CC1(C)CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001460046270 937512810 /nfs/dbraw/zinc/51/28/10/937512810.db2.gz LHVUKXIOUXDHCU-KDURUIRLSA-N 2 1 298.474 3.486 20 0 CGADMP CC1(C)CC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001460046270 937512812 /nfs/dbraw/zinc/51/28/12/937512812.db2.gz LHVUKXIOUXDHCU-KDURUIRLSA-N 2 1 298.474 3.486 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001460251086 937522612 /nfs/dbraw/zinc/52/26/12/937522612.db2.gz HIHSQJDSGQJGNZ-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC001460531222 937534829 /nfs/dbraw/zinc/53/48/29/937534829.db2.gz DMHAJPBSEFSDIC-IAGOWNOFSA-N 2 1 284.488 3.245 20 0 CGADMP C[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C(C)(C)C ZINC001460710907 937540914 /nfs/dbraw/zinc/54/09/14/937540914.db2.gz QJWXKIOORBNAJA-GJZGRUSLSA-N 2 1 275.440 3.274 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC001460701887 937541096 /nfs/dbraw/zinc/54/10/96/937541096.db2.gz BQVCNXHWMXFVAH-IXDOHACOSA-N 2 1 287.451 3.418 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC001460697625 937541284 /nfs/dbraw/zinc/54/12/84/937541284.db2.gz SFOXNDZQVBJODH-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCSC[C@H]1C(C)(C)C ZINC001460697625 937541285 /nfs/dbraw/zinc/54/12/85/937541285.db2.gz SFOXNDZQVBJODH-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC001461069379 937561957 /nfs/dbraw/zinc/56/19/57/937561957.db2.gz WOZLUBRFOWYUGC-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C(C)C ZINC001461143476 937566358 /nfs/dbraw/zinc/56/63/58/937566358.db2.gz NPRNUMIBHQVQPA-JKSUJKDBSA-N 2 1 252.446 3.299 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C(C)C ZINC001461143476 937566359 /nfs/dbraw/zinc/56/63/59/937566359.db2.gz NPRNUMIBHQVQPA-JKSUJKDBSA-N 2 1 252.446 3.299 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001461372307 937578158 /nfs/dbraw/zinc/57/81/58/937578158.db2.gz BOFVDPGETYDDJI-RCCFBDPRSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cccc(OC(C)(C)C)c1)[NH+](C)C ZINC001461660798 937591280 /nfs/dbraw/zinc/59/12/80/937591280.db2.gz BPYCPCPMZAUYKR-AWEZNQCLSA-N 2 1 278.440 3.294 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC001462019881 937613450 /nfs/dbraw/zinc/61/34/50/937613450.db2.gz XQFIOFAZANWUJE-IRXDYDNUSA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC001462356404 937635200 /nfs/dbraw/zinc/63/52/00/937635200.db2.gz PISFDZYNMGRAEB-CQSZACIVSA-N 2 1 292.389 3.383 20 0 CGADMP Cc1ccccc1CCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001307977892 933028843 /nfs/dbraw/zinc/02/88/43/933028843.db2.gz HLJXUCFXKMLUQM-KDURUIRLSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1ccccc1CCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001307977892 933028850 /nfs/dbraw/zinc/02/88/50/933028850.db2.gz HLJXUCFXKMLUQM-KDURUIRLSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1ccccc1CCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307977892 933028853 /nfs/dbraw/zinc/02/88/53/933028853.db2.gz HLJXUCFXKMLUQM-KDURUIRLSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1ccccc1CCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307977892 933028857 /nfs/dbraw/zinc/02/88/57/933028857.db2.gz HLJXUCFXKMLUQM-KDURUIRLSA-N 2 1 286.463 3.201 20 0 CGADMP COCC[N@@H+](C[C@H](C)CC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001307989354 933030347 /nfs/dbraw/zinc/03/03/47/933030347.db2.gz RLCNCMYFZZLMFV-MRXNPFEDSA-N 2 1 298.515 3.349 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001308203251 933072182 /nfs/dbraw/zinc/07/21/82/933072182.db2.gz NMWUYSIWMQSTMQ-FGTMMUONSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC001308555800 933132054 /nfs/dbraw/zinc/13/20/54/933132054.db2.gz YHKKBEDCIDMRMH-SOUVJXGZSA-N 2 1 280.362 3.054 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC001308848072 933189297 /nfs/dbraw/zinc/18/92/97/933189297.db2.gz OHCONIBUFYRNOE-MSOLQXFVSA-N 2 1 274.452 3.358 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455487 933879451 /nfs/dbraw/zinc/87/94/51/933879451.db2.gz WBGOWYIGVIIBGY-YVEFUNNKSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455487 933879459 /nfs/dbraw/zinc/87/94/59/933879459.db2.gz WBGOWYIGVIIBGY-YVEFUNNKSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755714 933926598 /nfs/dbraw/zinc/92/65/98/933926598.db2.gz REPIWUOFWXWUBP-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755714 933926602 /nfs/dbraw/zinc/92/66/02/933926602.db2.gz REPIWUOFWXWUBP-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC001319838127 933942921 /nfs/dbraw/zinc/94/29/21/933942921.db2.gz ZGFFRNQUKBRTDY-ZDUSSCGKSA-N 2 1 278.827 3.123 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC001320442101 934048894 /nfs/dbraw/zinc/04/88/94/934048894.db2.gz VJKLNYYJLNYRLB-XWTMOSNGSA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)c1ocnc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001321204456 934163124 /nfs/dbraw/zinc/16/31/24/934163124.db2.gz OVTWCOAPIRQOFC-UHFFFAOYSA-N 2 1 291.439 3.106 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322641879 934322074 /nfs/dbraw/zinc/32/20/74/934322074.db2.gz DKDMJZDGUQSMHZ-MCIONIFRSA-N 2 1 272.502 3.369 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325597410 934919900 /nfs/dbraw/zinc/91/99/00/934919900.db2.gz IKSGKFGWGXLWOY-NXHRZFHOSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325597627 934920384 /nfs/dbraw/zinc/92/03/84/934920384.db2.gz JGBDVDIVGYUZBU-KBMXLJTQSA-N 2 1 264.413 3.063 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001327205590 935044999 /nfs/dbraw/zinc/04/49/99/935044999.db2.gz GPHLARIDYOVVRO-MRXNPFEDSA-N 2 1 289.448 3.273 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564110 935228593 /nfs/dbraw/zinc/22/85/93/935228593.db2.gz DUSHWQSWRUNLTD-STQMWFEESA-N 2 1 297.393 3.402 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564110 935228596 /nfs/dbraw/zinc/22/85/96/935228596.db2.gz DUSHWQSWRUNLTD-STQMWFEESA-N 2 1 297.393 3.402 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC001330070843 935265304 /nfs/dbraw/zinc/26/53/04/935265304.db2.gz UWQCXKNBLQTLCJ-PBHICJAKSA-N 2 1 288.435 3.091 20 0 CGADMP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1ccc(F)cc1F ZINC001331834690 935413197 /nfs/dbraw/zinc/41/31/97/935413197.db2.gz NNJFPYWOEGTXDL-HZMBPMFUSA-N 2 1 256.340 3.004 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)CC[N@@H+]1C ZINC001334185826 936089604 /nfs/dbraw/zinc/08/96/04/936089604.db2.gz FFOXVSFWLNHQSR-CMPLNLGQSA-N 2 1 286.341 3.336 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)CC[N@H+]1C ZINC001334185826 936089609 /nfs/dbraw/zinc/08/96/09/936089609.db2.gz FFOXVSFWLNHQSR-CMPLNLGQSA-N 2 1 286.341 3.336 20 0 CGADMP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(C)cs1 ZINC001336716840 936209077 /nfs/dbraw/zinc/20/90/77/936209077.db2.gz MQQQUBDAHIYSNQ-WTUNAVPPSA-N 2 1 279.453 3.117 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)C2(C)C)cc1 ZINC001337032508 936232592 /nfs/dbraw/zinc/23/25/92/936232592.db2.gz CUVZXUWSWVEXQC-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001473921489 937830022 /nfs/dbraw/zinc/83/00/22/937830022.db2.gz KHRCTRXPHZRAHG-INIZCTEOSA-N 2 1 295.430 3.357 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@]2(C)CCCCO2)cc1 ZINC001474500154 937863134 /nfs/dbraw/zinc/86/31/34/937863134.db2.gz BFFDQVCKLKLJPJ-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001474507491 937863867 /nfs/dbraw/zinc/86/38/67/937863867.db2.gz ACCKNYWCTKBWMY-IRXDYDNUSA-N 2 1 272.436 3.180 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001474507491 937863869 /nfs/dbraw/zinc/86/38/69/937863869.db2.gz ACCKNYWCTKBWMY-IRXDYDNUSA-N 2 1 272.436 3.180 20 0 CGADMP C([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001474644866 937873042 /nfs/dbraw/zinc/87/30/42/937873042.db2.gz DMTLPOWBTLVBIA-XLAORIBOSA-N 2 1 276.468 3.277 20 0 CGADMP CC[C@H](C)[C@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)OC ZINC001474681259 937874736 /nfs/dbraw/zinc/87/47/36/937874736.db2.gz AVCDRHZGLIGCQJ-IRXDYDNUSA-N 2 1 284.488 3.245 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540766 938167645 /nfs/dbraw/zinc/16/76/45/938167645.db2.gz KQYNXTNTURYMGQ-BPLDGKMQSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540766 938167646 /nfs/dbraw/zinc/16/76/46/938167646.db2.gz KQYNXTNTURYMGQ-BPLDGKMQSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540766 938167647 /nfs/dbraw/zinc/16/76/47/938167647.db2.gz KQYNXTNTURYMGQ-BPLDGKMQSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H]1C[N@@H+](CC2CC([NH3+])C2)CCc2ccc(Cl)cc21 ZINC001550705624 938170277 /nfs/dbraw/zinc/17/02/77/938170277.db2.gz XUGCEVLZFMYTSS-BZUNDVKYSA-N 2 1 278.827 3.039 20 0 CGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001550911322 938172514 /nfs/dbraw/zinc/17/25/14/938172514.db2.gz APFFFERWQYUJDK-ATLSCFEFSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)[C@H]1CCC[NH3+] ZINC001552929069 938195143 /nfs/dbraw/zinc/19/51/43/938195143.db2.gz RBBQRKFJMPDPKJ-ZACQAIPSSA-N 2 1 294.483 3.175 20 0 CGADMP CCc1cc(NCCC2CC[NH+](C(C)C)CC2)nc(C)[nH+]1 ZINC001559248015 938223441 /nfs/dbraw/zinc/22/34/41/938223441.db2.gz BIITWHKWQFKUSH-UHFFFAOYSA-N 2 1 290.455 3.270 20 0 CGADMP Cc1c(Cl)ccc2c1CN(CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001560089398 938243727 /nfs/dbraw/zinc/24/37/27/938243727.db2.gz KKTGVKHCAUINRS-HNNXBMFYSA-N 2 1 292.854 3.491 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001560155207 938245446 /nfs/dbraw/zinc/24/54/46/938245446.db2.gz FINVGGXISOPLRE-LSDHHAIUSA-N 2 1 299.393 3.492 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001560289107 938251232 /nfs/dbraw/zinc/25/12/32/938251232.db2.gz VGRLVKVDGMUSEP-IGKNDFSCSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001560289107 938251234 /nfs/dbraw/zinc/25/12/34/938251234.db2.gz VGRLVKVDGMUSEP-IGKNDFSCSA-N 2 1 296.499 3.148 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2Cc3ccccc3OC[C@H]2C)CC1 ZINC001560750381 938273835 /nfs/dbraw/zinc/27/38/35/938273835.db2.gz BECIGADNMGQSQH-OAHLLOKOSA-N 2 1 288.435 3.001 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1(C)C ZINC001560803501 938276837 /nfs/dbraw/zinc/27/68/37/938276837.db2.gz YKVULRFUTJYKHL-BZUAXINKSA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCc2ccccc2C1 ZINC001560812438 938277572 /nfs/dbraw/zinc/27/75/72/938277572.db2.gz SANFZRSAKLGBGJ-QGZVFWFLSA-N 2 1 288.479 3.455 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001560814811 938277741 /nfs/dbraw/zinc/27/77/41/938277741.db2.gz IQPKZYFVOXKZSN-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC001561028926 938290342 /nfs/dbraw/zinc/29/03/42/938290342.db2.gz ZKULBJOTJRAGEU-LXZKKBNFSA-N 2 1 292.854 3.327 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC001561028926 938290343 /nfs/dbraw/zinc/29/03/43/938290343.db2.gz ZKULBJOTJRAGEU-LXZKKBNFSA-N 2 1 292.854 3.327 20 0 CGADMP C[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC001561028926 938290344 /nfs/dbraw/zinc/29/03/44/938290344.db2.gz ZKULBJOTJRAGEU-LXZKKBNFSA-N 2 1 292.854 3.327 20 0 CGADMP C[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC001561028926 938290345 /nfs/dbraw/zinc/29/03/45/938290345.db2.gz ZKULBJOTJRAGEU-LXZKKBNFSA-N 2 1 292.854 3.327 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2[nH]1 ZINC001222271523 960403920 /nfs/dbraw/zinc/40/39/20/960403920.db2.gz HKGSBVKMIFUFIF-SFHVURJKSA-N 2 1 283.419 3.134 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001257207744 960426417 /nfs/dbraw/zinc/42/64/17/960426417.db2.gz GFSOXUQTMYIKBS-QGZVFWFLSA-N 2 1 276.399 3.275 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001258774800 960428388 /nfs/dbraw/zinc/42/83/88/960428388.db2.gz ZJAMRMVLCTUAIB-QGZVFWFLSA-N 2 1 273.424 3.093 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001258774800 960428399 /nfs/dbraw/zinc/42/83/99/960428399.db2.gz ZJAMRMVLCTUAIB-QGZVFWFLSA-N 2 1 273.424 3.093 20 0 CGADMP CC(C)(C[NH3+])C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC001575315644 960470120 /nfs/dbraw/zinc/47/01/20/960470120.db2.gz UFMMBDDYNVCBTG-UHFFFAOYSA-N 2 1 264.388 3.023 20 0 CGADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H](C)Cc1ccccc1SC ZINC001578241849 960478995 /nfs/dbraw/zinc/47/89/95/960478995.db2.gz OJNUSPQAZQJVMF-YUELXQCFSA-N 2 1 278.465 3.070 20 0 CGADMP CC(C)(C)SCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC001575260854 962355478 /nfs/dbraw/zinc/35/54/78/962355478.db2.gz KQYSYJJUVUYCIR-UHFFFAOYSA-N 2 1 270.486 3.126 20 0 CGADMP CC(C)C(C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C(C)C ZINC001575428433 962377839 /nfs/dbraw/zinc/37/78/39/962377839.db2.gz CHJQYMWZVZKWGQ-KBAYOESNSA-N 2 1 296.499 3.275 20 0 CGADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC001575933004 962415787 /nfs/dbraw/zinc/41/57/87/962415787.db2.gz GGNGWDPKHVGXDH-IVMMDQJWSA-N 2 1 292.398 3.160 20 0 CGADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC001575933008 962415995 /nfs/dbraw/zinc/41/59/95/962415995.db2.gz GGNGWDPKHVGXDH-XPKDYRNWSA-N 2 1 292.398 3.160 20 0 CGADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC001575933002 962422475 /nfs/dbraw/zinc/42/24/75/962422475.db2.gz GGNGWDPKHVGXDH-INWMFGNUSA-N 2 1 292.398 3.160 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC001576056833 962426015 /nfs/dbraw/zinc/42/60/15/962426015.db2.gz NUNRZGCFQYDDNX-MLGOLLRUSA-N 2 1 280.843 3.378 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001575966960 962427688 /nfs/dbraw/zinc/42/76/88/962427688.db2.gz UKZHXWHQOYOQIC-JLZZUVOBSA-N 2 1 294.389 3.160 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001576117314 962439387 /nfs/dbraw/zinc/43/93/87/962439387.db2.gz MISJQDWPFSSYRA-UKMLZYKCSA-N 2 1 294.389 3.095 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576309722 962447883 /nfs/dbraw/zinc/44/78/83/962447883.db2.gz COKKCWFZHKUVNM-OIISXLGYSA-N 2 1 258.409 3.199 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001576380483 962450097 /nfs/dbraw/zinc/45/00/97/962450097.db2.gz SLIUDUSOKBPFGS-HZPDHXFCSA-N 2 1 288.366 3.301 20 0 CGADMP CC1(C)CC(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001576396125 962457352 /nfs/dbraw/zinc/45/73/52/962457352.db2.gz VXLLRXGZQSPESS-IRXDYDNUSA-N 2 1 272.436 3.158 20 0 CGADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)[NH2+]C1 ZINC001576422172 962458351 /nfs/dbraw/zinc/45/83/51/962458351.db2.gz TYNCVOWWSOLNOI-CVEARBPZSA-N 2 1 294.483 3.236 20 0 CGADMP C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576568430 962468316 /nfs/dbraw/zinc/46/83/16/962468316.db2.gz YSGOHHOCIKMXMW-UAGQMJEPSA-N 2 1 258.409 3.125 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](CCc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC001576596810 962475376 /nfs/dbraw/zinc/47/53/76/962475376.db2.gz BGJWIBFISXIEDY-JHJVBQTASA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC001576596810 962475390 /nfs/dbraw/zinc/47/53/90/962475390.db2.gz BGJWIBFISXIEDY-JHJVBQTASA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)[C@@H]1CC[NH3+] ZINC001576705545 962482624 /nfs/dbraw/zinc/48/26/24/962482624.db2.gz UMXFKMMCUILNCK-IJLUTSLNSA-N 2 1 279.255 3.020 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC2(CC[NH2+]CC2)O1 ZINC001576800579 962488167 /nfs/dbraw/zinc/48/81/67/962488167.db2.gz KJWYJFUGIKDZJB-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP CCC1CCC([N@@H+](CCO)CCCC2CC[NH2+]CC2)CC1 ZINC001577246905 962521512 /nfs/dbraw/zinc/52/15/12/962521512.db2.gz WDMYJGMKSYFPDW-UHFFFAOYSA-N 2 1 296.499 3.029 20 0 CGADMP CCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001577345033 962528742 /nfs/dbraw/zinc/52/87/42/962528742.db2.gz KISNUFLBMYXFPP-INWMFGNUSA-N 2 1 294.414 3.058 20 0 CGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)CCO2 ZINC001578265920 962580334 /nfs/dbraw/zinc/58/03/34/962580334.db2.gz QNCBZSNGJLVQHU-UKPHBRMFSA-N 2 1 288.435 3.193 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)CC1CCCCC1 ZINC001578659440 962590885 /nfs/dbraw/zinc/59/08/85/962590885.db2.gz ZOKUGUYLJGQLAV-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)CC1CCCCC1 ZINC001578659440 962590892 /nfs/dbraw/zinc/59/08/92/962590892.db2.gz ZOKUGUYLJGQLAV-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001578485981 962592776 /nfs/dbraw/zinc/59/27/76/962592776.db2.gz GYNKUAXFUUAOCN-HPBDAGMYSA-N 2 1 272.436 3.382 20 0 CGADMP COCC[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC001579002297 962615000 /nfs/dbraw/zinc/61/50/00/962615000.db2.gz PSYJYZJFQRGAPB-RHSMWYFYSA-N 2 1 294.414 3.010 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001579666344 962646189 /nfs/dbraw/zinc/64/61/89/962646189.db2.gz QYOLZXXXTYZTHF-INMHGKMJSA-N 2 1 260.425 3.015 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c(Cl)c1 ZINC001579697156 962658182 /nfs/dbraw/zinc/65/81/82/962658182.db2.gz ZUUANRANJGAXDY-KBPBESRZSA-N 2 1 264.800 3.008 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C ZINC001579754883 962670055 /nfs/dbraw/zinc/67/00/55/962670055.db2.gz LTEJFDJFCIRXIR-RDJZCZTQSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001579788906 962672701 /nfs/dbraw/zinc/67/27/01/962672701.db2.gz VVZSUYRWFUIZFR-LBPRGKRZSA-N 2 1 288.357 3.142 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC001579875687 962676159 /nfs/dbraw/zinc/67/61/59/962676159.db2.gz ICAFVZRKKIOCFX-YOEHRIQHSA-N 2 1 291.439 3.103 20 0 CGADMP Cc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001579799881 962677209 /nfs/dbraw/zinc/67/72/09/962677209.db2.gz FRNHZWNGQHOEFA-INIZCTEOSA-N 2 1 272.436 3.349 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001580033616 962684251 /nfs/dbraw/zinc/68/42/51/962684251.db2.gz UTGQYMKXHAVQHW-LMSBXDPUSA-N 2 1 288.410 3.003 20 0 CGADMP Fc1cccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001580033157 962686614 /nfs/dbraw/zinc/68/66/14/962686614.db2.gz ABRHNXJIHVVSEG-SJLPKXTDSA-N 2 1 290.426 3.222 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CCCC1 ZINC001580152706 962693050 /nfs/dbraw/zinc/69/30/50/962693050.db2.gz OXHNZRCWQMBOIN-UHFFFAOYSA-N 2 1 293.461 3.233 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C2 ZINC001580335089 962714032 /nfs/dbraw/zinc/71/40/32/962714032.db2.gz YNWCIQKMZGMSHC-MSEGVNSJSA-N 2 1 292.373 3.039 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC001580895796 962742667 /nfs/dbraw/zinc/74/26/67/962742667.db2.gz SKPDFGLEOHWHDT-YZGWKJHDSA-N 2 1 292.426 3.062 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000337416824 214067646 /nfs/dbraw/zinc/06/76/46/214067646.db2.gz PNWRUJBRJDSYJL-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC12CCC2)[NH+](C)C ZINC000337416073 214068679 /nfs/dbraw/zinc/06/86/79/214068679.db2.gz ZIKLEAAOQRZYPA-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC1 ZINC000651228825 398219273 /nfs/dbraw/zinc/21/92/73/398219273.db2.gz ISUFFYZNDLEQHE-MSOLQXFVSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000127765679 187331892 /nfs/dbraw/zinc/33/18/92/187331892.db2.gz OQMVWCBVFDSZOJ-HUUCEWRRSA-N 2 1 278.415 3.251 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000124703419 187149579 /nfs/dbraw/zinc/14/95/79/187149579.db2.gz MFTUDLBMPCPVMO-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000124703419 187149580 /nfs/dbraw/zinc/14/95/80/187149580.db2.gz MFTUDLBMPCPVMO-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cc1 ZINC000124703419 187149581 /nfs/dbraw/zinc/14/95/81/187149581.db2.gz MFTUDLBMPCPVMO-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000651808383 398290863 /nfs/dbraw/zinc/29/08/63/398290863.db2.gz PADUWRKDWCFWLZ-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1COC(C)(C)C1)C1CCCCC1 ZINC000651910135 398304721 /nfs/dbraw/zinc/30/47/21/398304721.db2.gz IGIMVTALQJFLCM-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C)C1CCCCC1 ZINC000651909914 398305020 /nfs/dbraw/zinc/30/50/20/398305020.db2.gz ACIFYWFRNHYSSY-YQQAZPJKSA-N 2 1 282.472 3.187 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000651911530 398306108 /nfs/dbraw/zinc/30/61/08/398306108.db2.gz DNABZNRHCYNITI-GXTWGEPZSA-N 2 1 261.413 3.062 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338016116 214361707 /nfs/dbraw/zinc/36/17/07/214361707.db2.gz ZQJKWNOATISLJI-JKSUJKDBSA-N 2 1 293.455 3.155 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337996476 214351990 /nfs/dbraw/zinc/35/19/90/214351990.db2.gz KESJLONTOHOROJ-CABCVRRESA-N 2 1 267.392 3.090 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[NH+]1CCCC1 ZINC000337996571 214352080 /nfs/dbraw/zinc/35/20/80/214352080.db2.gz PXLZAKRFJCSXIO-BBWFWOEESA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000338023501 214366564 /nfs/dbraw/zinc/36/65/64/214366564.db2.gz SAKLJSYSGDJEKZ-MRXNPFEDSA-N 2 1 257.381 3.323 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000423297034 282954958 /nfs/dbraw/zinc/95/49/58/282954958.db2.gz ILQQCFILEPUUOG-GDBMZVCRSA-N 2 1 262.441 3.460 20 0 CGADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423200578 290655576 /nfs/dbraw/zinc/65/55/76/290655576.db2.gz MSLGGHCWCQLESW-AWEZNQCLSA-N 2 1 282.815 3.061 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000423281840 529589486 /nfs/dbraw/zinc/58/94/86/529589486.db2.gz BZSYMPZVZCJZNP-LBPRGKRZSA-N 2 1 272.339 3.066 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC(F)F)cc1 ZINC000423332275 529591216 /nfs/dbraw/zinc/59/12/16/529591216.db2.gz QRDFRGQYXWYBIA-ZDUSSCGKSA-N 2 1 284.350 3.210 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cccc(Cl)c1F ZINC000423278468 529610406 /nfs/dbraw/zinc/61/04/06/529610406.db2.gz QYTBAGHOUDCJNX-GWCFXTLKSA-N 2 1 272.795 3.375 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000269135502 282204673 /nfs/dbraw/zinc/20/46/73/282204673.db2.gz QMWVEGSNSSVUOU-QGZVFWFLSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000269135502 282204674 /nfs/dbraw/zinc/20/46/74/282204674.db2.gz QMWVEGSNSSVUOU-QGZVFWFLSA-N 2 1 269.392 3.201 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000623086744 349757982 /nfs/dbraw/zinc/75/79/82/349757982.db2.gz HWPQWHKWEODPPU-UHFFFAOYSA-N 2 1 299.418 3.074 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423326813 529618900 /nfs/dbraw/zinc/61/89/00/529618900.db2.gz RDZNJAHOELDNCN-UWVGGRQHSA-N 2 1 258.818 3.180 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCCC2)CC1(C)C ZINC000623346588 349784965 /nfs/dbraw/zinc/78/49/65/349784965.db2.gz XYRLRPUIMKGIFF-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000423436599 529666597 /nfs/dbraw/zinc/66/65/97/529666597.db2.gz FKBBAGGTYTVKCT-CWSCBRNRSA-N 2 1 285.229 3.226 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000126423718 187238629 /nfs/dbraw/zinc/23/86/29/187238629.db2.gz JEDCALRAKZDJCJ-KBPBESRZSA-N 2 1 298.434 3.490 20 0 CGADMP CCC[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401853 349799368 /nfs/dbraw/zinc/79/93/68/349799368.db2.gz RAGCBSMHNYBHBZ-GOEBONIOSA-N 2 1 275.440 3.385 20 0 CGADMP CCC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401853 349799373 /nfs/dbraw/zinc/79/93/73/349799373.db2.gz RAGCBSMHNYBHBZ-GOEBONIOSA-N 2 1 275.440 3.385 20 0 CGADMP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401853 349799375 /nfs/dbraw/zinc/79/93/75/349799375.db2.gz RAGCBSMHNYBHBZ-GOEBONIOSA-N 2 1 275.440 3.385 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427698 349805216 /nfs/dbraw/zinc/80/52/16/349805216.db2.gz JNHHHEPCIJADKX-INIZCTEOSA-N 2 1 290.426 3.320 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]2Cc2ccccc2)CC1(C)C ZINC000623430237 349806813 /nfs/dbraw/zinc/80/68/13/349806813.db2.gz HAGQNILREQAVNJ-IKGGRYGDSA-N 2 1 272.436 3.080 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127874163 187338635 /nfs/dbraw/zinc/33/86/35/187338635.db2.gz ANKAPMPCDLXMLV-UONOGXRCSA-N 2 1 289.398 3.360 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000423261665 529729259 /nfs/dbraw/zinc/72/92/59/529729259.db2.gz KMCXJYHYGCZADA-ZYHUDNBSSA-N 2 1 269.458 3.038 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000423261661 529730258 /nfs/dbraw/zinc/73/02/58/529730258.db2.gz KMCXJYHYGCZADA-JQWIXIFHSA-N 2 1 269.458 3.038 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623503022 349821395 /nfs/dbraw/zinc/82/13/95/349821395.db2.gz JEOSASXFCCODAD-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1(C)C ZINC000623557199 349833214 /nfs/dbraw/zinc/83/32/14/349833214.db2.gz NXZRTUPRYDZHGD-IXDOHACOSA-N 2 1 272.436 3.253 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)CC1(C)C ZINC000623547260 349831261 /nfs/dbraw/zinc/83/12/61/349831261.db2.gz LAHCGCFGZGENSQ-WXRRBKDZSA-N 2 1 274.399 3.273 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1(C)C ZINC000623551651 349832086 /nfs/dbraw/zinc/83/20/86/349832086.db2.gz BBMSRNBUEOVLAQ-ZNMIVQPWSA-N 2 1 296.499 3.431 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@@H]2CCC[C@H]21 ZINC000367621751 529806722 /nfs/dbraw/zinc/80/67/22/529806722.db2.gz SYVDCOARGHBVFP-YTQUADARSA-N 2 1 297.446 3.173 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657742 349859849 /nfs/dbraw/zinc/85/98/49/349859849.db2.gz XUCWGMHBUARBKX-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CC[C@H](N[C@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638533 349852453 /nfs/dbraw/zinc/85/24/53/349852453.db2.gz IRNVOCOVCRCLJT-RDJZCZTQSA-N 2 1 287.451 3.385 20 0 CGADMP CN1CC[C@H]([NH2+][C@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638533 349852456 /nfs/dbraw/zinc/85/24/56/349852456.db2.gz IRNVOCOVCRCLJT-RDJZCZTQSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638533 349852459 /nfs/dbraw/zinc/85/24/59/349852459.db2.gz IRNVOCOVCRCLJT-RDJZCZTQSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638533 349852462 /nfs/dbraw/zinc/85/24/62/349852462.db2.gz IRNVOCOVCRCLJT-RDJZCZTQSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000623656718 349857750 /nfs/dbraw/zinc/85/77/50/349857750.db2.gz AFXOITKQEKVJMV-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000623656718 349857752 /nfs/dbraw/zinc/85/77/52/349857752.db2.gz AFXOITKQEKVJMV-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656729 349857859 /nfs/dbraw/zinc/85/78/59/349857859.db2.gz AMICCMVNKOMOMQ-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000623656910 349858079 /nfs/dbraw/zinc/85/80/79/349858079.db2.gz FKIVNSACNVOFAD-MRXNPFEDSA-N 2 1 274.452 3.286 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2ccoc21 ZINC000449302153 529886684 /nfs/dbraw/zinc/88/66/84/529886684.db2.gz JFNOBWDLIANIOJ-UHFFFAOYSA-N 2 1 272.392 3.351 20 0 CGADMP C/C=C\C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623739786 349874454 /nfs/dbraw/zinc/87/44/54/349874454.db2.gz GIFDKLJQGFQUOE-KYVUIXNKSA-N 2 1 270.420 3.349 20 0 CGADMP C/C=C\C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623739786 349874457 /nfs/dbraw/zinc/87/44/57/349874457.db2.gz GIFDKLJQGFQUOE-KYVUIXNKSA-N 2 1 270.420 3.349 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000358331829 529895570 /nfs/dbraw/zinc/89/55/70/529895570.db2.gz AWDXRGUCFQLNAL-OAHLLOKOSA-N 2 1 296.842 3.183 20 0 CGADMP CCC1(C)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351581413 219133123 /nfs/dbraw/zinc/13/31/23/219133123.db2.gz FGVLEHZOIWXCPD-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423255532 529985731 /nfs/dbraw/zinc/98/57/31/529985731.db2.gz AHYMWHFBFOCCSN-KGLIPLIRSA-N 2 1 272.392 3.453 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423278467 529999881 /nfs/dbraw/zinc/99/98/81/529999881.db2.gz QYPWZPOQJSUDME-LSDHHAIUSA-N 2 1 299.418 3.380 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649415 344951943 /nfs/dbraw/zinc/95/19/43/344951943.db2.gz ZMBWCOGXWSTDPR-GJZGRUSLSA-N 2 1 288.435 3.139 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000040620749 344964502 /nfs/dbraw/zinc/96/45/02/344964502.db2.gz MOBPTCHBRDGEPZ-CQSZACIVSA-N 2 1 298.377 3.108 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)s1 ZINC000044534067 345012707 /nfs/dbraw/zinc/01/27/07/345012707.db2.gz MDLQPCAGRJCCQL-MNOVXSKESA-N 2 1 272.845 3.394 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000044534067 345012709 /nfs/dbraw/zinc/01/27/09/345012709.db2.gz MDLQPCAGRJCCQL-MNOVXSKESA-N 2 1 272.845 3.394 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)s1 ZINC000044534065 345012776 /nfs/dbraw/zinc/01/27/76/345012776.db2.gz MDLQPCAGRJCCQL-QWRGUYRKSA-N 2 1 272.845 3.394 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000044534065 345012778 /nfs/dbraw/zinc/01/27/78/345012778.db2.gz MDLQPCAGRJCCQL-QWRGUYRKSA-N 2 1 272.845 3.394 20 0 CGADMP Cc1ccc(C2CC([NH2+]C[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000044533481 345013248 /nfs/dbraw/zinc/01/32/48/345013248.db2.gz CNKPHWVUMDGHLK-FAEJEUNOSA-N 2 1 272.436 3.172 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC000081633171 345716384 /nfs/dbraw/zinc/71/63/84/345716384.db2.gz JDEGSBCUUWEYPI-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000081633171 345716387 /nfs/dbraw/zinc/71/63/87/345716387.db2.gz JDEGSBCUUWEYPI-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000081633171 345716390 /nfs/dbraw/zinc/71/63/90/345716390.db2.gz JDEGSBCUUWEYPI-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C=CCCC3)CC2)cc1 ZINC000090393451 345786258 /nfs/dbraw/zinc/78/62/58/345786258.db2.gz JTWZFKMYDGXLDX-SFHVURJKSA-N 2 1 284.447 3.392 20 0 CGADMP CCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000090399528 345787285 /nfs/dbraw/zinc/78/72/85/345787285.db2.gz WQDLQQLOXLXVJR-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000090800182 345794733 /nfs/dbraw/zinc/79/47/33/345794733.db2.gz LUTLZLULTOXEEN-BELGNNRLSA-N 2 1 299.418 3.135 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000306584165 201848442 /nfs/dbraw/zinc/84/84/42/201848442.db2.gz QAZCUHOJHTYWRC-NVXWUHKLSA-N 2 1 281.403 3.465 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000223224736 260285077 /nfs/dbraw/zinc/28/50/77/260285077.db2.gz YNNZRHIKLBSZKB-SLTXQBBLSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+](CCC[NH3+])CCCc1ccc(Cl)c(Cl)c1 ZINC000204551093 346282034 /nfs/dbraw/zinc/28/20/34/346282034.db2.gz TWCVANDZRPOHMH-UHFFFAOYSA-N 2 1 275.223 3.207 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000252125553 346389836 /nfs/dbraw/zinc/38/98/36/346389836.db2.gz LJDUGUHUCAMLPH-RBSFLKMASA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000314229343 346481050 /nfs/dbraw/zinc/48/10/50/346481050.db2.gz WVPVTVZPXJMOAI-CQSZACIVSA-N 2 1 257.381 3.012 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)o1 ZINC000584682250 346707678 /nfs/dbraw/zinc/70/76/78/346707678.db2.gz MCGIADIYZCGKSU-BFJAYTPKSA-N 2 1 276.424 3.175 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000584584664 346684889 /nfs/dbraw/zinc/68/48/89/346684889.db2.gz BVRHVVZESDOOFR-NSHDSACASA-N 2 1 256.340 3.004 20 0 CGADMP CC(C)[C@@H](C[NH2+]CC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000589640875 346804333 /nfs/dbraw/zinc/80/43/33/346804333.db2.gz DJMJNLXLYWWLIY-OAHLLOKOSA-N 2 1 254.462 3.379 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CSCCF)c1 ZINC000595015608 347257882 /nfs/dbraw/zinc/25/78/82/347257882.db2.gz ZFQYIUFDPHIRCI-CQSZACIVSA-N 2 1 298.471 3.319 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595020989 347259714 /nfs/dbraw/zinc/25/97/14/347259714.db2.gz BSHPQIWHPVZWNM-LSDHHAIUSA-N 2 1 290.492 3.035 20 0 CGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1)CCCC2 ZINC000351821282 219215509 /nfs/dbraw/zinc/21/55/09/219215509.db2.gz HMNGDBXZPRCKNV-TZMCWYRMSA-N 2 1 279.403 3.065 20 0 CGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC[C@@H](C)F)C1)CCCC2 ZINC000351821282 219215511 /nfs/dbraw/zinc/21/55/11/219215511.db2.gz HMNGDBXZPRCKNV-TZMCWYRMSA-N 2 1 279.403 3.065 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000624120546 349976771 /nfs/dbraw/zinc/97/67/71/349976771.db2.gz BLUWSAKSZCLRES-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120725 349978681 /nfs/dbraw/zinc/97/86/81/349978681.db2.gz FSCHEPJNGRMSFZ-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120725 349978685 /nfs/dbraw/zinc/97/86/85/349978685.db2.gz FSCHEPJNGRMSFZ-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120983 349978957 /nfs/dbraw/zinc/97/89/57/349978957.db2.gz LGUIHJUJKZGMNS-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121847 349979852 /nfs/dbraw/zinc/97/98/52/349979852.db2.gz DVWMHRXGZSUWCA-SJCJKPOMSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121847 349979853 /nfs/dbraw/zinc/97/98/53/349979853.db2.gz DVWMHRXGZSUWCA-SJCJKPOMSA-N 2 1 294.389 3.274 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121912 349980528 /nfs/dbraw/zinc/98/05/28/349980528.db2.gz FWJXLVDGQHGPTM-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624122562 349981833 /nfs/dbraw/zinc/98/18/33/349981833.db2.gz VELXFOBPMRZDBP-HOTGVXAUSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624122562 349981836 /nfs/dbraw/zinc/98/18/36/349981836.db2.gz VELXFOBPMRZDBP-HOTGVXAUSA-N 2 1 275.440 3.244 20 0 CGADMP Fc1ccc2c(NC[C@@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000603493205 348086981 /nfs/dbraw/zinc/08/69/81/348086981.db2.gz KNQFZDKTWSELNH-LBPRGKRZSA-N 2 1 285.366 3.270 20 0 CGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccncc1Cl ZINC000624123074 349982030 /nfs/dbraw/zinc/98/20/30/349982030.db2.gz FLPFBQXXXXCAEO-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000624123673 349982952 /nfs/dbraw/zinc/98/29/52/349982952.db2.gz QGFKRXGOCCBRCU-PMPSAXMXSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H](c1ccncc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606447785 348184631 /nfs/dbraw/zinc/18/46/31/348184631.db2.gz RUWCNOQMOFCEIF-WBVHZDCISA-N 2 1 273.424 3.093 20 0 CGADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606447785 348184635 /nfs/dbraw/zinc/18/46/35/348184635.db2.gz RUWCNOQMOFCEIF-WBVHZDCISA-N 2 1 273.424 3.093 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000624123280 349983248 /nfs/dbraw/zinc/98/32/48/349983248.db2.gz IYCDDWUBIIDWBE-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000339407549 215152306 /nfs/dbraw/zinc/15/23/06/215152306.db2.gz OYJDZWJSFJCAFE-SJORKVTESA-N 2 1 290.451 3.295 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339430646 215165853 /nfs/dbraw/zinc/16/58/53/215165853.db2.gz HTTKXBBLOAPQOM-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430646 215165856 /nfs/dbraw/zinc/16/58/56/215165856.db2.gz HTTKXBBLOAPQOM-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430646 215165858 /nfs/dbraw/zinc/16/58/58/215165858.db2.gz HTTKXBBLOAPQOM-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccccc3)C2)C1 ZINC000339436565 215168964 /nfs/dbraw/zinc/16/89/64/215168964.db2.gz JVZAZOCFZZTCTL-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccccc3)C2)C1 ZINC000339436565 215168966 /nfs/dbraw/zinc/16/89/66/215168966.db2.gz JVZAZOCFZZTCTL-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C\c3ccccc3)C2)C1 ZINC000339436565 215168971 /nfs/dbraw/zinc/16/89/71/215168971.db2.gz JVZAZOCFZZTCTL-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C\c3ccccc3)C2)C1 ZINC000339436565 215168973 /nfs/dbraw/zinc/16/89/73/215168973.db2.gz JVZAZOCFZZTCTL-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH+]c2c1 ZINC000613537268 348616300 /nfs/dbraw/zinc/61/63/00/348616300.db2.gz JQLAJOHWVRRVGX-HZPDHXFCSA-N 2 1 295.430 3.312 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)[nH+]c2c1 ZINC000613537268 348616304 /nfs/dbraw/zinc/61/63/04/348616304.db2.gz JQLAJOHWVRRVGX-HZPDHXFCSA-N 2 1 295.430 3.312 20 0 CGADMP c1ccc2c(c1)CC(CC[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000358231312 233086540 /nfs/dbraw/zinc/08/65/40/233086540.db2.gz SBVYKSZHYVZYSQ-OALUTQOASA-N 2 1 284.447 3.008 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@H](C)C1 ZINC000624272646 350016147 /nfs/dbraw/zinc/01/61/47/350016147.db2.gz NOVGXTWHNUZOFO-CHWSQXEVSA-N 2 1 292.389 3.429 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000625453812 350174280 /nfs/dbraw/zinc/17/42/80/350174280.db2.gz VNGHIPSOJIURHF-INIZCTEOSA-N 2 1 284.488 3.028 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccccc2F)C1 ZINC000271345104 191084878 /nfs/dbraw/zinc/08/48/78/191084878.db2.gz XVIVQFWFPLDMHB-CABCVRRESA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271345104 191084880 /nfs/dbraw/zinc/08/48/80/191084880.db2.gz XVIVQFWFPLDMHB-CABCVRRESA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271345104 191084882 /nfs/dbraw/zinc/08/48/82/191084882.db2.gz XVIVQFWFPLDMHB-CABCVRRESA-N 2 1 276.399 3.099 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2[nH]1 ZINC000628184405 350428859 /nfs/dbraw/zinc/42/88/59/350428859.db2.gz LLXHYHOBTIGVRD-QGZVFWFLSA-N 2 1 297.446 3.476 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2oc(C)nc2C)c1 ZINC000628214024 350443153 /nfs/dbraw/zinc/44/31/53/350443153.db2.gz IAPTZWYISOBNPJ-UHFFFAOYSA-N 2 1 287.407 3.033 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2oc(C)nc2C)c1 ZINC000628214024 350443157 /nfs/dbraw/zinc/44/31/57/350443157.db2.gz IAPTZWYISOBNPJ-UHFFFAOYSA-N 2 1 287.407 3.033 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000628280722 350476126 /nfs/dbraw/zinc/47/61/26/350476126.db2.gz DTPJWHBXVJIQDW-RYRKJORJSA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000628280722 350476127 /nfs/dbraw/zinc/47/61/27/350476127.db2.gz DTPJWHBXVJIQDW-RYRKJORJSA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000628280722 350476131 /nfs/dbraw/zinc/47/61/31/350476131.db2.gz DTPJWHBXVJIQDW-RYRKJORJSA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000628280722 350476135 /nfs/dbraw/zinc/47/61/35/350476135.db2.gz DTPJWHBXVJIQDW-RYRKJORJSA-N 2 1 274.452 3.371 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC000628295153 350483145 /nfs/dbraw/zinc/48/31/45/350483145.db2.gz DCCLEIDQKQDECU-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000628425296 350535731 /nfs/dbraw/zinc/53/57/31/350535731.db2.gz GRTHLXQUFBHMFU-BPQIPLTHSA-N 2 1 272.436 3.112 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000628425942 350536908 /nfs/dbraw/zinc/53/69/08/350536908.db2.gz ZYGNOUOWQPEDGG-KFWWJZLASA-N 2 1 284.513 3.228 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085671760 535147414 /nfs/dbraw/zinc/14/74/14/535147414.db2.gz BMWUOVMHMPWAEV-NXOAAHMSSA-N 2 1 296.499 3.146 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000629545615 350709258 /nfs/dbraw/zinc/70/92/58/350709258.db2.gz MBZSVIUTOGVUCU-XZJROXQQSA-N 2 1 278.827 3.001 20 0 CGADMP FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629553331 350712273 /nfs/dbraw/zinc/71/22/73/350712273.db2.gz VYIMROSNLQHQPG-NWANDNLSSA-N 2 1 298.352 3.293 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1C(F)(F)F ZINC000629563498 350713935 /nfs/dbraw/zinc/71/39/35/350713935.db2.gz RAFYXFHCICIJAN-CHWSQXEVSA-N 2 1 278.362 3.026 20 0 CGADMP CC(C)(C)CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565638 350714185 /nfs/dbraw/zinc/71/41/85/350714185.db2.gz WSKGJDGSIYCFLH-NWDGAFQWSA-N 2 1 280.378 3.272 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000629408664 350689382 /nfs/dbraw/zinc/68/93/82/350689382.db2.gz YFUZHELEXFMREH-KSYCFECVSA-N 2 1 278.827 3.316 20 0 CGADMP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409571 350689950 /nfs/dbraw/zinc/68/99/50/350689950.db2.gz KJEGHTPUIGQNGT-KBAYOESNSA-N 2 1 288.435 3.061 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000629595422 350717071 /nfs/dbraw/zinc/71/70/71/350717071.db2.gz OYGNQCOOLLXKKH-UVCACSLRSA-N 2 1 250.430 3.054 20 0 CGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C)no2)c1 ZINC000631044168 350934740 /nfs/dbraw/zinc/93/47/40/350934740.db2.gz LOXZVOYNYXSSPZ-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000631835453 351149590 /nfs/dbraw/zinc/14/95/90/351149590.db2.gz VDEIIMYCXJEYFL-AWEZNQCLSA-N 2 1 268.351 3.328 20 0 CGADMP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000631835453 351149594 /nfs/dbraw/zinc/14/95/94/351149594.db2.gz VDEIIMYCXJEYFL-AWEZNQCLSA-N 2 1 268.351 3.328 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000291374559 198004324 /nfs/dbraw/zinc/00/43/24/198004324.db2.gz YYUFMFVENFXQOS-ROUUACIJSA-N 2 1 270.420 3.089 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000119657146 186842698 /nfs/dbraw/zinc/84/26/98/186842698.db2.gz TWLHLMBLFVQIAA-SFHVURJKSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1scc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1C ZINC000635017527 351632771 /nfs/dbraw/zinc/63/27/71/351632771.db2.gz DTSXEJQFUQPHPD-SNVBAGLBSA-N 2 1 261.394 3.023 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)o1 ZINC000635004278 351622907 /nfs/dbraw/zinc/62/29/07/351622907.db2.gz HTHZNOHXBLRNMG-GOEBONIOSA-N 2 1 272.392 3.199 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000635007426 351625633 /nfs/dbraw/zinc/62/56/33/351625633.db2.gz BCXSWVVEYQOPPC-CHWSQXEVSA-N 2 1 250.386 3.017 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012818 351630851 /nfs/dbraw/zinc/63/08/51/351630851.db2.gz VRBKPZZFEWIPCQ-ZFWWWQNUSA-N 2 1 275.440 3.073 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123350637 187086786 /nfs/dbraw/zinc/08/67/86/187086786.db2.gz BNSRHAZQLLVXAW-HIFRSBDPSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123350637 187086787 /nfs/dbraw/zinc/08/67/87/187086787.db2.gz BNSRHAZQLLVXAW-HIFRSBDPSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(Cl)cc2)CC[NH+]1C ZINC000123350637 187086788 /nfs/dbraw/zinc/08/67/88/187086788.db2.gz BNSRHAZQLLVXAW-HIFRSBDPSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)cc2)CC[NH+]1C ZINC000123350637 187086789 /nfs/dbraw/zinc/08/67/89/187086789.db2.gz BNSRHAZQLLVXAW-HIFRSBDPSA-N 2 1 296.842 3.133 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000130549761 187503221 /nfs/dbraw/zinc/50/32/21/187503221.db2.gz YNEHQDLRKRCKJC-BPQIPLTHSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000271633736 191251603 /nfs/dbraw/zinc/25/16/03/191251603.db2.gz CYMVOLHLLKIIRA-KRWDZBQOSA-N 2 1 287.382 3.380 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368098279 234282219 /nfs/dbraw/zinc/28/22/19/234282219.db2.gz BILSYPHNCGPYTC-SEDUGSJDSA-N 2 1 299.393 3.319 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1F ZINC000152771009 188042897 /nfs/dbraw/zinc/04/28/97/188042897.db2.gz XUYVKIBKAPBLOL-CZUORRHYSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1F ZINC000152771009 188042899 /nfs/dbraw/zinc/04/28/99/188042899.db2.gz XUYVKIBKAPBLOL-CZUORRHYSA-N 2 1 294.414 3.044 20 0 CGADMP CC[C@@H](COC)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000154878270 188166976 /nfs/dbraw/zinc/16/69/76/188166976.db2.gz NKHDVWFTKAQZDR-KRWDZBQOSA-N 2 1 278.440 3.041 20 0 CGADMP C[C@H]1C[C@H](NCc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000155161677 188188038 /nfs/dbraw/zinc/18/80/38/188188038.db2.gz GSPGSDIMNCICFP-CMPLNLGQSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CCN1C ZINC000155161677 188188039 /nfs/dbraw/zinc/18/80/39/188188039.db2.gz GSPGSDIMNCICFP-CMPLNLGQSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000155161677 188188040 /nfs/dbraw/zinc/18/80/40/188188040.db2.gz GSPGSDIMNCICFP-CMPLNLGQSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000155161677 188188041 /nfs/dbraw/zinc/18/80/41/188188041.db2.gz GSPGSDIMNCICFP-CMPLNLGQSA-N 2 1 270.779 3.051 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccccc3)CC[C@@H]21 ZINC000158518280 188380287 /nfs/dbraw/zinc/38/02/87/188380287.db2.gz VMUBTOHLMAHBON-LUUOPXGJSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]21 ZINC000158518280 188380288 /nfs/dbraw/zinc/38/02/88/188380288.db2.gz VMUBTOHLMAHBON-LUUOPXGJSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]21 ZINC000158518280 188380290 /nfs/dbraw/zinc/38/02/90/188380290.db2.gz VMUBTOHLMAHBON-LUUOPXGJSA-N 2 1 270.420 3.116 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000271833266 191355249 /nfs/dbraw/zinc/35/52/49/191355249.db2.gz FGIVDNPUBBFPQL-LBPRGKRZSA-N 2 1 264.438 3.223 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180168 235356268 /nfs/dbraw/zinc/35/62/68/235356268.db2.gz LIYCBDKGFNGZGZ-YIKOMLBNSA-N 2 1 296.817 3.265 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180168 235356269 /nfs/dbraw/zinc/35/62/69/235356269.db2.gz LIYCBDKGFNGZGZ-YIKOMLBNSA-N 2 1 296.817 3.265 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191350 235358990 /nfs/dbraw/zinc/35/89/90/235358990.db2.gz SKLVSIFFRAWFAO-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000414194605 235361081 /nfs/dbraw/zinc/36/10/81/235361081.db2.gz ULDSRCVXWROGAV-HOTGVXAUSA-N 2 1 289.467 3.135 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171653 235353102 /nfs/dbraw/zinc/35/31/02/235353102.db2.gz DJNMKZYZXIJIFG-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000093516099 138347211 /nfs/dbraw/zinc/34/72/11/138347211.db2.gz SFJQKCZSYLJKSX-JSGCOSHPSA-N 2 1 282.378 3.365 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCCOc2ccccc2)CC[N@@H+]1C ZINC000123956929 138371709 /nfs/dbraw/zinc/37/17/09/138371709.db2.gz JYGYOINCUADPCO-IRXDYDNUSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCCOc2ccccc2)CC[N@H+]1C ZINC000123956929 138371710 /nfs/dbraw/zinc/37/17/10/138371710.db2.gz JYGYOINCUADPCO-IRXDYDNUSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCCOc2ccccc2)CC[NH+]1C ZINC000123956929 138371711 /nfs/dbraw/zinc/37/17/11/138371711.db2.gz JYGYOINCUADPCO-IRXDYDNUSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCOc2ccccc2)CC[NH+]1C ZINC000123956929 138371712 /nfs/dbraw/zinc/37/17/12/138371712.db2.gz JYGYOINCUADPCO-IRXDYDNUSA-N 2 1 290.451 3.260 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCS3)CC2)cc1 ZINC000123949629 138371960 /nfs/dbraw/zinc/37/19/60/138371960.db2.gz ZKMSAVWGPMSSIL-KRWDZBQOSA-N 2 1 290.476 3.136 20 0 CGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1F ZINC000128546639 138393757 /nfs/dbraw/zinc/39/37/57/138393757.db2.gz BSYDWNIADADHKI-ZDUSSCGKSA-N 2 1 294.414 3.358 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130207485 138399555 /nfs/dbraw/zinc/39/95/55/138399555.db2.gz LVQQKPHZPJNHNB-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423020680 235957556 /nfs/dbraw/zinc/95/75/56/235957556.db2.gz COOIUQSLVLLFPT-OSRSDYAFSA-N 2 1 258.409 3.040 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000423269301 236015205 /nfs/dbraw/zinc/01/52/05/236015205.db2.gz FHKFQUSIYOBMJZ-UGSOOPFHSA-N 2 1 281.403 3.137 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)C1CC1 ZINC000423313915 236034577 /nfs/dbraw/zinc/03/45/77/236034577.db2.gz GJFIKCVXSAMHNA-OALUTQOASA-N 2 1 298.405 3.436 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423316886 236036057 /nfs/dbraw/zinc/03/60/57/236036057.db2.gz BMQGYNGEBXKDKU-CXAGYDPISA-N 2 1 272.367 3.046 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000423388168 236059330 /nfs/dbraw/zinc/05/93/30/236059330.db2.gz NDZDOWALYIRBKT-FGTMMUONSA-N 2 1 299.393 3.170 20 0 CGADMP Clc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1Cl ZINC000423419947 236068214 /nfs/dbraw/zinc/06/82/14/236068214.db2.gz BGIXAHHKEQDWOY-IDTSFGKNSA-N 2 1 297.229 3.252 20 0 CGADMP C[C@@H]([NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)[C@H](C)[NH3+] ZINC000423442401 236072338 /nfs/dbraw/zinc/07/23/38/236072338.db2.gz BRXHODTVEMNZFV-PMUMKWKESA-N 2 1 286.394 3.435 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000423523350 236092120 /nfs/dbraw/zinc/09/21/20/236092120.db2.gz IHTWTRZXRKGLFQ-NSHDSACASA-N 2 1 282.428 3.340 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000423523349 236092838 /nfs/dbraw/zinc/09/28/38/236092838.db2.gz IHTWTRZXRKGLFQ-LLVKDONJSA-N 2 1 282.428 3.340 20 0 CGADMP Clc1cccc2c1OCCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532977 236093214 /nfs/dbraw/zinc/09/32/14/236093214.db2.gz WCSWYVSIMDJWAG-OAHLLOKOSA-N 2 1 294.826 3.285 20 0 CGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423526608 236093964 /nfs/dbraw/zinc/09/39/64/236093964.db2.gz LTACLDIGDQDWNN-GFCCVEGCSA-N 2 1 298.377 3.389 20 0 CGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000424265111 236137964 /nfs/dbraw/zinc/13/79/64/236137964.db2.gz VEOUAENHOCEUHS-WNKDZCFJSA-N 2 1 294.483 3.044 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000424296598 236143590 /nfs/dbraw/zinc/14/35/90/236143590.db2.gz RZZJZFXYUDXZSK-IAGOWNOFSA-N 2 1 297.402 3.233 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(C)c1F ZINC000294823234 199199520 /nfs/dbraw/zinc/19/95/20/199199520.db2.gz RNZMKKLBUDHTQM-LBPRGKRZSA-N 2 1 275.371 3.065 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1cc(F)cc(F)c1 ZINC000294875003 199225943 /nfs/dbraw/zinc/22/59/43/199225943.db2.gz QJZLFLRBIRQLPB-ZIAGYGMSSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875003 199225945 /nfs/dbraw/zinc/22/59/45/199225945.db2.gz QJZLFLRBIRQLPB-ZIAGYGMSSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875003 199225947 /nfs/dbraw/zinc/22/59/47/199225947.db2.gz QJZLFLRBIRQLPB-ZIAGYGMSSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1N(C)C ZINC000423187226 299282324 /nfs/dbraw/zinc/28/23/24/299282324.db2.gz XNHURBNHHJYVGV-ZDUSSCGKSA-N 2 1 293.430 3.204 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCc1cccc(Cl)c1 ZINC000297542122 200223717 /nfs/dbraw/zinc/22/37/17/200223717.db2.gz YSLYVVKIWRTWQC-XJKSGUPXSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCc1cccc(Cl)c1 ZINC000297542122 200223719 /nfs/dbraw/zinc/22/37/19/200223719.db2.gz YSLYVVKIWRTWQC-XJKSGUPXSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCc1cccc(Cl)c1 ZINC000297542122 200223720 /nfs/dbraw/zinc/22/37/20/200223720.db2.gz YSLYVVKIWRTWQC-XJKSGUPXSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCc1cccc(Cl)c1 ZINC000297542122 200223722 /nfs/dbraw/zinc/22/37/22/200223722.db2.gz YSLYVVKIWRTWQC-XJKSGUPXSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1Oc2ccccc2[C@H]1C ZINC000348533712 299300291 /nfs/dbraw/zinc/30/02/91/299300291.db2.gz LJIJUHVTKYVWFS-LLDVTBCESA-N 2 1 288.435 3.014 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000297727561 200269606 /nfs/dbraw/zinc/26/96/06/200269606.db2.gz SFIAQBURMNRJSR-GFCCVEGCSA-N 2 1 275.421 3.035 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000298272504 200379137 /nfs/dbraw/zinc/37/91/37/200379137.db2.gz GLSQWJBLUPLBBG-UHFFFAOYSA-N 2 1 289.810 3.285 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccccc1C ZINC000178702432 189138976 /nfs/dbraw/zinc/13/89/76/189138976.db2.gz IMAKNSDZYKPGEO-GDBMZVCRSA-N 2 1 285.435 3.357 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000179084910 189167824 /nfs/dbraw/zinc/16/78/24/189167824.db2.gz URVZRABFHGJHHP-NSHDSACASA-N 2 1 295.789 3.410 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccc(C)cc2)C1 ZINC000181954565 189311042 /nfs/dbraw/zinc/31/10/42/189311042.db2.gz XJVWNXLDGHBDLI-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccc(C)cc2)C1 ZINC000181954565 189311043 /nfs/dbraw/zinc/31/10/43/189311043.db2.gz XJVWNXLDGHBDLI-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC000181954565 189311044 /nfs/dbraw/zinc/31/10/44/189311044.db2.gz XJVWNXLDGHBDLI-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000183299734 189353732 /nfs/dbraw/zinc/35/37/32/189353732.db2.gz FCFNRCKBOJGWKX-GDBMZVCRSA-N 2 1 278.415 3.030 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370434 189356840 /nfs/dbraw/zinc/35/68/40/189356840.db2.gz PPVZCJVDVDQFKZ-RDJZCZTQSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370434 189356841 /nfs/dbraw/zinc/35/68/41/189356841.db2.gz PPVZCJVDVDQFKZ-RDJZCZTQSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370434 189356842 /nfs/dbraw/zinc/35/68/42/189356842.db2.gz PPVZCJVDVDQFKZ-RDJZCZTQSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3cccnc3o2)C[C@H]1n1ccnc1 ZINC000449049803 239140819 /nfs/dbraw/zinc/14/08/19/239140819.db2.gz SDNFDPSPLSBQDP-XJKSGUPXSA-N 2 1 296.374 3.107 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2cccnc2o1 ZINC000449063677 239152073 /nfs/dbraw/zinc/15/20/73/239152073.db2.gz QPEPICTZWSOGER-CQSZACIVSA-N 2 1 287.407 3.182 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2cccnc2o1 ZINC000449063677 239152082 /nfs/dbraw/zinc/15/20/82/239152082.db2.gz QPEPICTZWSOGER-CQSZACIVSA-N 2 1 287.407 3.182 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000302135904 201357970 /nfs/dbraw/zinc/35/79/70/201357970.db2.gz AZTNUKHLCVFJQA-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187708737 189474450 /nfs/dbraw/zinc/47/44/50/189474450.db2.gz SXBOMWVXKNXNST-ZWKOTPCHSA-N 2 1 272.436 3.181 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335633560 212348170 /nfs/dbraw/zinc/34/81/70/212348170.db2.gz JUBNKHHPOVGRPO-IRXDYDNUSA-N 2 1 295.430 3.056 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2CCc2cncn2C)cc1 ZINC000459282650 242051066 /nfs/dbraw/zinc/05/10/66/242051066.db2.gz PTRMVHDQYGUJML-QGZVFWFLSA-N 2 1 269.392 3.108 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000459380085 242094920 /nfs/dbraw/zinc/09/49/20/242094920.db2.gz BOAMEQVIHYNNCU-UHFFFAOYSA-N 2 1 283.419 3.412 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459725099 242194801 /nfs/dbraw/zinc/19/48/01/242194801.db2.gz BAEAPYIHTDHWCQ-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1cc(C)cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459746902 242208537 /nfs/dbraw/zinc/20/85/37/242208537.db2.gz ZGIUUWLMPSWBOV-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP CCC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCC1 ZINC000459778637 242228815 /nfs/dbraw/zinc/22/88/15/242228815.db2.gz YUTCMUSUXLAYMU-AWEZNQCLSA-N 2 1 281.469 3.263 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC000121506009 370867405 /nfs/dbraw/zinc/86/74/05/370867405.db2.gz KWCKNFHHWNFGEF-KDOFPFPSSA-N 2 1 283.419 3.495 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000481322242 243187130 /nfs/dbraw/zinc/18/71/30/243187130.db2.gz ZKJAGHIUKSQMCV-CHWSQXEVSA-N 2 1 278.465 3.229 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483253517 243269603 /nfs/dbraw/zinc/26/96/03/243269603.db2.gz LGQVWJOLCLFYBQ-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CC2(OC)CCCCC2)CC1 ZINC000483260498 243270392 /nfs/dbraw/zinc/27/03/92/243270392.db2.gz CKXWIKXVANPBJR-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000483308753 243275801 /nfs/dbraw/zinc/27/58/01/243275801.db2.gz NEENEYVJUXKCOI-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000343480137 216790406 /nfs/dbraw/zinc/79/04/06/216790406.db2.gz RQMGFFBRTJPAER-OAHLLOKOSA-N 2 1 294.414 3.143 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000036908422 369036671 /nfs/dbraw/zinc/03/66/71/369036671.db2.gz XHBSLYKDROAQHJ-TYNCELHUSA-N 2 1 266.816 3.158 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC000037740010 369103323 /nfs/dbraw/zinc/10/33/23/369103323.db2.gz CKQZBVIFBMKXRZ-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037644630 369094311 /nfs/dbraw/zinc/09/43/11/369094311.db2.gz KVCFFHFJCREFSL-SUMWQHHRSA-N 2 1 276.399 3.208 20 0 CGADMP CCc1ncc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000037923733 369125108 /nfs/dbraw/zinc/12/51/08/369125108.db2.gz FUGOHBSTHHTHJE-CYBMUJFWSA-N 2 1 281.469 3.060 20 0 CGADMP CCc1ncc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000037923733 369125110 /nfs/dbraw/zinc/12/51/10/369125110.db2.gz FUGOHBSTHHTHJE-CYBMUJFWSA-N 2 1 281.469 3.060 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000492817496 244031880 /nfs/dbraw/zinc/03/18/80/244031880.db2.gz KNIVZBLKISHDGV-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CCCOc1cccc(C[NH2+]C2CC[NH+](CCC)CC2)c1 ZINC000037996789 369136490 /nfs/dbraw/zinc/13/64/90/369136490.db2.gz QKFJZTMGZBWPDK-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000041631609 369193903 /nfs/dbraw/zinc/19/39/03/369193903.db2.gz HFHGDZLDQSYRBX-OLZOCXBDSA-N 2 1 278.465 3.445 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3nc(C)sc3c2)C1 ZINC000494367059 244283345 /nfs/dbraw/zinc/28/33/45/244283345.db2.gz INESPPGPKLBKKR-AWEZNQCLSA-N 2 1 289.448 3.036 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000049257395 369394571 /nfs/dbraw/zinc/39/45/71/369394571.db2.gz XUYAHFSREDFQOJ-SJPCQFCGSA-N 2 1 258.409 3.018 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000128037067 370959213 /nfs/dbraw/zinc/95/92/13/370959213.db2.gz AJFZMBOWHDINTN-QDIHITRGSA-N 2 1 250.430 3.029 20 0 CGADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000129000973 370970019 /nfs/dbraw/zinc/97/00/19/370970019.db2.gz QWTZIORFXYXZBM-UHFFFAOYSA-N 2 1 282.790 3.196 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000129578282 370992401 /nfs/dbraw/zinc/99/24/01/370992401.db2.gz OPGYLELBNDOWBX-SLEUVZQESA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000129578282 370992409 /nfs/dbraw/zinc/99/24/09/370992409.db2.gz OPGYLELBNDOWBX-SLEUVZQESA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000486978191 296146627 /nfs/dbraw/zinc/14/66/27/296146627.db2.gz YPWOQBLUJDZSCD-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000486978191 296146630 /nfs/dbraw/zinc/14/66/30/296146630.db2.gz YPWOQBLUJDZSCD-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000061571131 369600660 /nfs/dbraw/zinc/60/06/60/369600660.db2.gz ZBNFZTQCQARRFE-KRWDZBQOSA-N 2 1 290.476 3.136 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC000072860616 369841213 /nfs/dbraw/zinc/84/12/13/369841213.db2.gz JJLCGSDAZLQBKN-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC000072860616 369841219 /nfs/dbraw/zinc/84/12/19/369841219.db2.gz JJLCGSDAZLQBKN-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000072860616 369841221 /nfs/dbraw/zinc/84/12/21/369841221.db2.gz JJLCGSDAZLQBKN-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000072860616 369841226 /nfs/dbraw/zinc/84/12/26/369841226.db2.gz JJLCGSDAZLQBKN-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000070074632 369779498 /nfs/dbraw/zinc/77/94/98/369779498.db2.gz LMSYAOVLURZTNB-WCQYABFASA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000070074632 369779501 /nfs/dbraw/zinc/77/95/01/369779501.db2.gz LMSYAOVLURZTNB-WCQYABFASA-N 2 1 297.240 3.008 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070074096 369779593 /nfs/dbraw/zinc/77/95/93/369779593.db2.gz MPGCDTOIMFVNFX-HNNXBMFYSA-N 2 1 260.425 3.371 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000070158183 369782022 /nfs/dbraw/zinc/78/20/22/369782022.db2.gz PPLWMNPWBMEOHH-CYBMUJFWSA-N 2 1 274.433 3.462 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000070171819 369786049 /nfs/dbraw/zinc/78/60/49/369786049.db2.gz BRSHVTTUSHJQCQ-JLJPHGGASA-N 2 1 258.409 3.123 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000075799831 369917019 /nfs/dbraw/zinc/91/70/19/369917019.db2.gz RNXLUTZCYKTSGB-UHFFFAOYSA-N 2 1 294.442 3.483 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000076002381 369925100 /nfs/dbraw/zinc/92/51/00/369925100.db2.gz LMJUBEVQFHDCPE-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CC(C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110053 369931260 /nfs/dbraw/zinc/93/12/60/369931260.db2.gz YCEQXVCSYXWZTR-QGZVFWFLSA-N 2 1 260.425 3.096 20 0 CGADMP CC(C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110053 369931266 /nfs/dbraw/zinc/93/12/66/369931266.db2.gz YCEQXVCSYXWZTR-QGZVFWFLSA-N 2 1 260.425 3.096 20 0 CGADMP CC(C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110053 369931271 /nfs/dbraw/zinc/93/12/71/369931271.db2.gz YCEQXVCSYXWZTR-QGZVFWFLSA-N 2 1 260.425 3.096 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(C1)CCCCC2 ZINC000089428806 370042500 /nfs/dbraw/zinc/04/25/00/370042500.db2.gz HCZASJGIXHEBLC-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000089428806 370042501 /nfs/dbraw/zinc/04/25/01/370042501.db2.gz HCZASJGIXHEBLC-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC2(C1)CCCCC2 ZINC000089428806 370042503 /nfs/dbraw/zinc/04/25/03/370042503.db2.gz HCZASJGIXHEBLC-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720256 370065408 /nfs/dbraw/zinc/06/54/08/370065408.db2.gz NUAZCMJXSXZXQE-PBHICJAKSA-N 2 1 260.425 3.382 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CC[N@H+]1C ZINC000090721202 370066697 /nfs/dbraw/zinc/06/66/97/370066697.db2.gz CNSBBWBBFIWYBW-WMLDXEAASA-N 2 1 268.404 3.412 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(C)ccc1OC ZINC000093399172 370121825 /nfs/dbraw/zinc/12/18/25/370121825.db2.gz KOOARLQPIYCFPJ-DOTOQJQBSA-N 2 1 290.451 3.386 20 0 CGADMP C1=CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000093563686 370140270 /nfs/dbraw/zinc/14/02/70/370140270.db2.gz YZDLRESFPMTBSL-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C(C)(C)c1ccccc1OC ZINC000514108094 245108655 /nfs/dbraw/zinc/10/86/55/245108655.db2.gz VBLHGYALFYCJJC-UHFFFAOYSA-N 2 1 278.440 3.252 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129805569 371000983 /nfs/dbraw/zinc/00/09/83/371000983.db2.gz HABHHZHMNUYQQK-KFWWJZLASA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129805569 371000985 /nfs/dbraw/zinc/00/09/85/371000985.db2.gz HABHHZHMNUYQQK-KFWWJZLASA-N 2 1 276.424 3.137 20 0 CGADMP c1ccc([C@H]2CC[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000130468750 371036550 /nfs/dbraw/zinc/03/65/50/371036550.db2.gz VEPFJOBFSDABSF-RYQLBKOJSA-N 2 1 284.447 3.397 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000131406716 371106724 /nfs/dbraw/zinc/10/67/24/371106724.db2.gz CYZWSIRIODHPAT-MRXNPFEDSA-N 2 1 294.414 3.361 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)cc1Cl ZINC000136048245 371458534 /nfs/dbraw/zinc/45/85/34/371458534.db2.gz JFOUHLLBPJDKNU-NSHDSACASA-N 2 1 295.789 3.410 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000149302886 371527630 /nfs/dbraw/zinc/52/76/30/371527630.db2.gz XMXMCNHPGQRVJD-HUUCEWRRSA-N 2 1 276.424 3.220 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000149302886 371527632 /nfs/dbraw/zinc/52/76/32/371527632.db2.gz XMXMCNHPGQRVJD-HUUCEWRRSA-N 2 1 276.424 3.220 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150813084 371540746 /nfs/dbraw/zinc/54/07/46/371540746.db2.gz MFQVGTCRQQTLNA-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000220362694 376207862 /nfs/dbraw/zinc/20/78/62/376207862.db2.gz MWSQNFIGBUCFNO-OAHLLOKOSA-N 2 1 264.388 3.036 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000151139315 371574131 /nfs/dbraw/zinc/57/41/31/371574131.db2.gz VENVBUKZZVTCEU-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(CCc2ccc(F)c(F)c2)C1 ZINC000152140412 371677856 /nfs/dbraw/zinc/67/78/56/371677856.db2.gz LSXNXTRHTDJUGC-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000152140412 371677864 /nfs/dbraw/zinc/67/78/64/371677864.db2.gz LSXNXTRHTDJUGC-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000152140412 371677872 /nfs/dbraw/zinc/67/78/72/371677872.db2.gz LSXNXTRHTDJUGC-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152140412 371677877 /nfs/dbraw/zinc/67/78/77/371677877.db2.gz LSXNXTRHTDJUGC-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152140412 371677884 /nfs/dbraw/zinc/67/78/84/371677884.db2.gz LSXNXTRHTDJUGC-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000421828996 371652215 /nfs/dbraw/zinc/65/22/15/371652215.db2.gz GJIKFEIGHHOZKL-LALPHHSUSA-N 2 1 298.833 3.482 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000421828996 371652223 /nfs/dbraw/zinc/65/22/23/371652223.db2.gz GJIKFEIGHHOZKL-LALPHHSUSA-N 2 1 298.833 3.482 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c2ccccc2n1 ZINC000152448927 371695796 /nfs/dbraw/zinc/69/57/96/371695796.db2.gz QKSOIKQXWSEJOO-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c2ccccc2n1 ZINC000152448927 371695803 /nfs/dbraw/zinc/69/58/03/371695803.db2.gz QKSOIKQXWSEJOO-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2n1 ZINC000152448927 371695809 /nfs/dbraw/zinc/69/58/09/371695809.db2.gz QKSOIKQXWSEJOO-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc2cccnc12 ZINC000422558546 371750092 /nfs/dbraw/zinc/75/00/92/371750092.db2.gz BDETVWCTTAKELZ-SIIHOXLZSA-N 2 1 297.446 3.348 20 0 CGADMP CC(C[NH+]1C[C@@H]2CCC[C@@H]2C1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153127927 371752410 /nfs/dbraw/zinc/75/24/10/371752410.db2.gz VEJXTSKZGCWXLA-USTZCAOPSA-N 2 1 276.468 3.086 20 0 CGADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1C ZINC000422763229 371792225 /nfs/dbraw/zinc/79/22/25/371792225.db2.gz OPHOELIRJLNEKH-YJBOKZPZSA-N 2 1 298.430 3.052 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422741313 371777244 /nfs/dbraw/zinc/77/72/44/371777244.db2.gz PLTDFRHYYPBPQY-KZNAEPCWSA-N 2 1 282.387 3.109 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000422738528 371777892 /nfs/dbraw/zinc/77/78/92/371777892.db2.gz JQGZRXJPHNFAGW-VXGBXAGGSA-N 2 1 273.355 3.088 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000422749806 371783681 /nfs/dbraw/zinc/78/36/81/371783681.db2.gz BAGVFLBEUHWXEC-GUBZILKMSA-N 2 1 258.768 3.256 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C(C)C ZINC000337332558 214013187 /nfs/dbraw/zinc/01/31/87/214013187.db2.gz ILBKMGWBUYWORU-WMZOPIPTSA-N 2 1 289.467 3.428 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C(C)C ZINC000337332558 214013188 /nfs/dbraw/zinc/01/31/88/214013188.db2.gz ILBKMGWBUYWORU-WMZOPIPTSA-N 2 1 289.467 3.428 20 0 CGADMP CCO[C@H](CC[NH2+][C@H](C)c1c[nH+]ccc1N)C1CCCC1 ZINC000422829813 371831551 /nfs/dbraw/zinc/83/15/51/371831551.db2.gz UYRYYCHVUPMIDD-CXAGYDPISA-N 2 1 291.439 3.130 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337375424 214039107 /nfs/dbraw/zinc/03/91/07/214039107.db2.gz GJDFKMYDDJIPPA-OAGGEKHMSA-N 2 1 261.413 3.140 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000153980133 371806263 /nfs/dbraw/zinc/80/62/63/371806263.db2.gz UMQJAXYPRPNOHQ-KGLIPLIRSA-N 2 1 280.843 3.375 20 0 CGADMP CC(C)COCCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422788261 371809350 /nfs/dbraw/zinc/80/93/50/371809350.db2.gz QWNHHRNMIFFKKA-MSOLQXFVSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422791619 371811471 /nfs/dbraw/zinc/81/14/71/371811471.db2.gz QLHNDRYVRUWHGK-FMKPAKJESA-N 2 1 278.465 3.287 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422837954 371835158 /nfs/dbraw/zinc/83/51/58/371835158.db2.gz NFYOAYWTWREGME-KCQAQPDRSA-N 2 1 296.842 3.228 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCC2CCCC2)CC1 ZINC000154293762 371835148 /nfs/dbraw/zinc/83/51/48/371835148.db2.gz GQQLYHZKXVANME-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC000154293762 371835156 /nfs/dbraw/zinc/83/51/56/371835156.db2.gz GQQLYHZKXVANME-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000289935833 371857233 /nfs/dbraw/zinc/85/72/33/371857233.db2.gz YCJKKOAEUZBHRX-PBWFPOADSA-N 2 1 264.438 3.114 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000289935833 371857241 /nfs/dbraw/zinc/85/72/41/371857241.db2.gz YCJKKOAEUZBHRX-PBWFPOADSA-N 2 1 264.438 3.114 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000289935833 371857244 /nfs/dbraw/zinc/85/72/44/371857244.db2.gz YCJKKOAEUZBHRX-PBWFPOADSA-N 2 1 264.438 3.114 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422895575 371858975 /nfs/dbraw/zinc/85/89/75/371858975.db2.gz GEQNCPFJZCJHTA-IAGOWNOFSA-N 2 1 276.424 3.225 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422896432 371859753 /nfs/dbraw/zinc/85/97/53/371859753.db2.gz ABIHHOLQCJBLRO-AWEZNQCLSA-N 2 1 281.403 3.185 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000422913384 371865983 /nfs/dbraw/zinc/86/59/83/371865983.db2.gz PWHNPGQVTKAAGN-IRXDYDNUSA-N 2 1 288.435 3.368 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)c1c[nH+]ccc1N ZINC000422920466 371870438 /nfs/dbraw/zinc/87/04/38/371870438.db2.gz MDAOZPSTCAUUGJ-RBOXIYTFSA-N 2 1 259.397 3.114 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@@H]1OC ZINC000422934412 371879626 /nfs/dbraw/zinc/87/96/26/371879626.db2.gz FSUORNIUQXQCQG-HZMVEIRTSA-N 2 1 288.435 3.315 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422940491 371881717 /nfs/dbraw/zinc/88/17/17/371881717.db2.gz SWJAZCBBCLHCCY-BBRMVZONSA-N 2 1 296.842 3.087 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1c[nH+]ccc1N ZINC000422858061 371842502 /nfs/dbraw/zinc/84/25/02/371842502.db2.gz ZMRQDSCATAMGJA-UONOGXRCSA-N 2 1 269.392 3.339 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)sc1Cl ZINC000422985389 371904237 /nfs/dbraw/zinc/90/42/37/371904237.db2.gz DNPDHBYBALKGAF-NKWVEPMBSA-N 2 1 267.225 3.270 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CCN1C ZINC000290166902 371919094 /nfs/dbraw/zinc/91/90/94/371919094.db2.gz YAYYDZYPIYUSQM-GMOCUTOCSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@H]1C[C@H](N(C)C/C=C/c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000290166902 371919099 /nfs/dbraw/zinc/91/90/99/371919099.db2.gz YAYYDZYPIYUSQM-GMOCUTOCSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@H]1C[C@H](N(C)C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000290166902 371919103 /nfs/dbraw/zinc/91/91/03/371919103.db2.gz YAYYDZYPIYUSQM-GMOCUTOCSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316519 371962107 /nfs/dbraw/zinc/96/21/07/371962107.db2.gz CPMYGDXIZSTRJQ-OAJDRMGVSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316519 371962110 /nfs/dbraw/zinc/96/21/10/371962110.db2.gz CPMYGDXIZSTRJQ-OAJDRMGVSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316519 371962112 /nfs/dbraw/zinc/96/21/12/371962112.db2.gz CPMYGDXIZSTRJQ-OAJDRMGVSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316519 371962115 /nfs/dbraw/zinc/96/21/15/371962115.db2.gz CPMYGDXIZSTRJQ-OAJDRMGVSA-N 2 1 294.389 3.250 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423098522 371964033 /nfs/dbraw/zinc/96/40/33/371964033.db2.gz SCKYMISBTJEKHS-QBPKDAKJSA-N 2 1 282.472 3.090 20 0 CGADMP CSc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423111495 371971406 /nfs/dbraw/zinc/97/14/06/371971406.db2.gz WCCFFNZUCKBZBQ-FZMZJTMJSA-N 2 1 282.428 3.025 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCC[NH2+]1 ZINC000423129693 371983168 /nfs/dbraw/zinc/98/31/68/371983168.db2.gz XQSYHFFRULWMHC-VSZNYVQBSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423136881 371986184 /nfs/dbraw/zinc/98/61/84/371986184.db2.gz ZRTHQXVYIUBWNH-SFYZADRCSA-N 2 1 296.283 3.199 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423158648 371996676 /nfs/dbraw/zinc/99/66/76/371996676.db2.gz OKRISBKMKZTYGK-MGPQQGTHSA-N 2 1 261.413 3.361 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccsc1 ZINC000423175928 372003643 /nfs/dbraw/zinc/00/36/43/372003643.db2.gz FRDFETSGNJZYDA-ZDUSSCGKSA-N 2 1 252.427 3.450 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000290553781 372016828 /nfs/dbraw/zinc/01/68/28/372016828.db2.gz RYPIMJGWMVLCRV-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000290553781 372016830 /nfs/dbraw/zinc/01/68/30/372016830.db2.gz RYPIMJGWMVLCRV-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290656478 372036634 /nfs/dbraw/zinc/03/66/34/372036634.db2.gz ZKMQYUXIBIZGFO-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290656478 372036640 /nfs/dbraw/zinc/03/66/40/372036640.db2.gz ZKMQYUXIBIZGFO-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290656478 372036646 /nfs/dbraw/zinc/03/66/46/372036646.db2.gz ZKMQYUXIBIZGFO-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290656478 372036650 /nfs/dbraw/zinc/03/66/50/372036650.db2.gz ZKMQYUXIBIZGFO-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290656478 372036658 /nfs/dbraw/zinc/03/66/58/372036658.db2.gz ZKMQYUXIBIZGFO-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423258106 372044050 /nfs/dbraw/zinc/04/40/50/372044050.db2.gz AZTCKLQILHATLL-HIFRSBDPSA-N 2 1 266.816 3.290 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423268282 372045973 /nfs/dbraw/zinc/04/59/73/372045973.db2.gz URLSGGJBZQYFJA-DZGCQCFKSA-N 2 1 274.408 3.327 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCCO2 ZINC000423278949 372046671 /nfs/dbraw/zinc/04/66/71/372046671.db2.gz RNVMZEGWOXNQQY-HZPDHXFCSA-N 2 1 276.424 3.090 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423284376 372048152 /nfs/dbraw/zinc/04/81/52/372048152.db2.gz YGDJGKRLXSQUKP-NOZJJQNGSA-N 2 1 287.234 3.426 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423300017 372049974 /nfs/dbraw/zinc/04/99/74/372049974.db2.gz QVGGLWXQKKWOPC-ZIAGYGMSSA-N 2 1 264.413 3.172 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C2CCCC2)CC1 ZINC000158050162 372050537 /nfs/dbraw/zinc/05/05/37/372050537.db2.gz FHIVFMBYKZKXKA-OAHLLOKOSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000423323676 372051475 /nfs/dbraw/zinc/05/14/75/372051475.db2.gz KAVJNRFRUNLQPS-YGRLFVJLSA-N 2 1 297.240 3.153 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423177866 372007232 /nfs/dbraw/zinc/00/72/32/372007232.db2.gz JUYBLUKDVWEQGD-AWEZNQCLSA-N 2 1 276.424 3.398 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423186263 372013670 /nfs/dbraw/zinc/01/36/70/372013670.db2.gz KUCAUTSFKBWPPC-QGZVFWFLSA-N 2 1 275.440 3.120 20 0 CGADMP COCCCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159039014 372102874 /nfs/dbraw/zinc/10/28/74/372102874.db2.gz OXPMAFFGEAECAR-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000292966184 372263554 /nfs/dbraw/zinc/26/35/54/372263554.db2.gz DBLRMYRSNVBOCN-OAHLLOKOSA-N 2 1 289.467 3.151 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000292966184 372263559 /nfs/dbraw/zinc/26/35/59/372263559.db2.gz DBLRMYRSNVBOCN-OAHLLOKOSA-N 2 1 289.467 3.151 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)C[NH+](C)C ZINC000293309842 372352507 /nfs/dbraw/zinc/35/25/07/372352507.db2.gz FCOBWQKVDUMZQK-KGLIPLIRSA-N 2 1 271.408 3.083 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000429349924 372353946 /nfs/dbraw/zinc/35/39/46/372353946.db2.gz AWXVLJQQTXJZPK-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000430754159 372396707 /nfs/dbraw/zinc/39/67/07/372396707.db2.gz MTZAGWVZCWIFTQ-FJIDUMEYSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000430926842 372406902 /nfs/dbraw/zinc/40/69/02/372406902.db2.gz OXNNJXHAFVFYPY-KXBFYZLASA-N 2 1 298.430 3.278 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000163189438 372451819 /nfs/dbraw/zinc/45/18/19/372451819.db2.gz URUBGKJTFUYNEN-GUYCJALGSA-N 2 1 254.377 3.009 20 0 CGADMP Cn1cccc1[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000163210635 372454197 /nfs/dbraw/zinc/45/41/97/372454197.db2.gz FBJOMWPANXAUBR-DOTOQJQBSA-N 2 1 275.440 3.036 20 0 CGADMP Cn1cccc1[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000163210635 372454203 /nfs/dbraw/zinc/45/42/03/372454203.db2.gz FBJOMWPANXAUBR-DOTOQJQBSA-N 2 1 275.440 3.036 20 0 CGADMP Cn1cccc1[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000163210635 372454210 /nfs/dbraw/zinc/45/42/10/372454210.db2.gz FBJOMWPANXAUBR-DOTOQJQBSA-N 2 1 275.440 3.036 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(F)cc1F ZINC000163270299 372457112 /nfs/dbraw/zinc/45/71/12/372457112.db2.gz LXVIULBDDWQUFN-MLGOLLRUSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1F ZINC000163270299 372457117 /nfs/dbraw/zinc/45/71/17/372457117.db2.gz LXVIULBDDWQUFN-MLGOLLRUSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000293799188 372486548 /nfs/dbraw/zinc/48/65/48/372486548.db2.gz YDJLWFRJJMHELR-SFHVURJKSA-N 2 1 290.451 3.056 20 0 CGADMP CC[C@@H](CSC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000164091381 372508670 /nfs/dbraw/zinc/50/86/70/372508670.db2.gz RMOYGJCBFGECFZ-INIZCTEOSA-N 2 1 292.492 3.382 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000164685826 372530372 /nfs/dbraw/zinc/53/03/72/372530372.db2.gz PKOLASIUWBONBT-ZDUSSCGKSA-N 2 1 275.371 3.462 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000165638870 372553971 /nfs/dbraw/zinc/55/39/71/372553971.db2.gz UOJCNZWJPBMNPD-DZGCQCFKSA-N 2 1 263.429 3.386 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000166062866 372564068 /nfs/dbraw/zinc/56/40/68/372564068.db2.gz QMALFXQGOPRZSG-VYDXJSESSA-N 2 1 290.451 3.261 20 0 CGADMP Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(C)C)c1 ZINC000167689213 372599927 /nfs/dbraw/zinc/59/99/27/372599927.db2.gz VSVLXNWVRBXRQD-NVXWUHKLSA-N 2 1 290.451 3.355 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c(OC(C)C)c1 ZINC000167689213 372599934 /nfs/dbraw/zinc/59/99/34/372599934.db2.gz VSVLXNWVRBXRQD-NVXWUHKLSA-N 2 1 290.451 3.355 20 0 CGADMP CC(C)[N@H+]1CC[C@H](CNc2nccc3ccccc32)C1 ZINC000168660665 372614678 /nfs/dbraw/zinc/61/46/78/372614678.db2.gz JJTWNTFTAUBDHY-CQSZACIVSA-N 2 1 269.392 3.377 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000294668653 372665510 /nfs/dbraw/zinc/66/55/10/372665510.db2.gz AQMNHKFOXPXJKC-GUYCJALGSA-N 2 1 299.418 3.399 20 0 CGADMP CC[N@@H+](Cc1ccc(F)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435388909 372755715 /nfs/dbraw/zinc/75/57/15/372755715.db2.gz HYSQDJRQRPNDEQ-HNNXBMFYSA-N 2 1 264.388 3.098 20 0 CGADMP CC[N@H+](Cc1cc(C)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000435380319 372756061 /nfs/dbraw/zinc/75/60/61/372756061.db2.gz NNNABSYQXPQTOI-HNNXBMFYSA-N 2 1 264.388 3.098 20 0 CGADMP CC[N@@H+](Cc1cc(C)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000435380319 372756069 /nfs/dbraw/zinc/75/60/69/372756069.db2.gz NNNABSYQXPQTOI-HNNXBMFYSA-N 2 1 264.388 3.098 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCOC(C)C)CC1 ZINC000171499583 372771721 /nfs/dbraw/zinc/77/17/21/372771721.db2.gz AXBWNWQSGXWXKJ-UHFFFAOYSA-N 2 1 284.488 3.245 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595046 372841974 /nfs/dbraw/zinc/84/19/74/372841974.db2.gz CJRTZTCBMJWVCQ-GUYCJALGSA-N 2 1 294.389 3.096 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595046 372841984 /nfs/dbraw/zinc/84/19/84/372841984.db2.gz CJRTZTCBMJWVCQ-GUYCJALGSA-N 2 1 294.389 3.096 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595046 372841994 /nfs/dbraw/zinc/84/19/94/372841994.db2.gz CJRTZTCBMJWVCQ-GUYCJALGSA-N 2 1 294.389 3.096 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595046 372842005 /nfs/dbraw/zinc/84/20/05/372842005.db2.gz CJRTZTCBMJWVCQ-GUYCJALGSA-N 2 1 294.389 3.096 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000438214746 372914519 /nfs/dbraw/zinc/91/45/19/372914519.db2.gz KRWDNXKYWLVPJV-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2OC2CC2)CC1 ZINC000296031185 372999268 /nfs/dbraw/zinc/99/92/68/372999268.db2.gz PDHBXGAQRJHJGE-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2OC2CC2)CC1 ZINC000296031185 372999276 /nfs/dbraw/zinc/99/92/76/372999276.db2.gz PDHBXGAQRJHJGE-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cccc(C(C)(C)C)c1 ZINC000442768978 373074447 /nfs/dbraw/zinc/07/44/47/373074447.db2.gz PKBOQYXPWCWZRL-LSDHHAIUSA-N 2 1 290.451 3.032 20 0 CGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cn1 ZINC000296333370 373093223 /nfs/dbraw/zinc/09/32/23/373093223.db2.gz HKAGKGNNNCMANS-NDNKKMJESA-N 2 1 279.815 3.011 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000353563015 220160855 /nfs/dbraw/zinc/16/08/55/220160855.db2.gz DOUIJZDRROKMQY-ZIAGYGMSSA-N 2 1 268.470 3.388 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000353563015 220160857 /nfs/dbraw/zinc/16/08/57/220160857.db2.gz DOUIJZDRROKMQY-ZIAGYGMSSA-N 2 1 268.470 3.388 20 0 CGADMP Cc1ccc(CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000444171421 373173454 /nfs/dbraw/zinc/17/34/54/373173454.db2.gz VXYFNJGGEWQEFK-SFHVURJKSA-N 2 1 274.452 3.344 20 0 CGADMP Cc1ccc(CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000444171421 373173461 /nfs/dbraw/zinc/17/34/61/373173461.db2.gz VXYFNJGGEWQEFK-SFHVURJKSA-N 2 1 274.452 3.344 20 0 CGADMP Cc1ccc(CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000444171421 373173470 /nfs/dbraw/zinc/17/34/70/373173470.db2.gz VXYFNJGGEWQEFK-SFHVURJKSA-N 2 1 274.452 3.344 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000298542313 373352914 /nfs/dbraw/zinc/35/29/14/373352914.db2.gz TWPDBPNOLAWKKO-UHFFFAOYSA-N 2 1 277.799 3.141 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000175911607 373536258 /nfs/dbraw/zinc/53/62/58/373536258.db2.gz QZPYHDRGTFPUQD-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175911607 373536268 /nfs/dbraw/zinc/53/62/68/373536268.db2.gz QZPYHDRGTFPUQD-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175911607 373536275 /nfs/dbraw/zinc/53/62/75/373536275.db2.gz QZPYHDRGTFPUQD-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000175911607 373536284 /nfs/dbraw/zinc/53/62/84/373536284.db2.gz QZPYHDRGTFPUQD-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000175911607 373536291 /nfs/dbraw/zinc/53/62/91/373536291.db2.gz QZPYHDRGTFPUQD-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000300411505 373629329 /nfs/dbraw/zinc/62/93/29/373629329.db2.gz NQYZOFQTPZRAEU-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000289580813 197409764 /nfs/dbraw/zinc/40/97/64/197409764.db2.gz HJBHSQLTOHFFBC-PKOBYXMFSA-N 2 1 297.446 3.354 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000070326614 541891443 /nfs/dbraw/zinc/89/14/43/541891443.db2.gz GRTIFBVPBYIWQK-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178964241 373821487 /nfs/dbraw/zinc/82/14/87/373821487.db2.gz VSYZDPVKCDDNCV-INIZCTEOSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cc2ccccc2o1 ZINC000178486568 373784669 /nfs/dbraw/zinc/78/46/69/373784669.db2.gz UXTWGCUMOSTNTQ-IOASZLSFSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000178486568 373784686 /nfs/dbraw/zinc/78/46/86/373784686.db2.gz UXTWGCUMOSTNTQ-IOASZLSFSA-N 2 1 272.392 3.251 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CCCC2)[C@H](C)C1 ZINC000178508920 373787554 /nfs/dbraw/zinc/78/75/54/373787554.db2.gz ONICZOJZDSSXPI-SJLPKXTDSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000179639966 373898432 /nfs/dbraw/zinc/89/84/32/373898432.db2.gz RLDKSUZSJIZYDZ-CZUORRHYSA-N 2 1 282.378 3.490 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000179639966 373898441 /nfs/dbraw/zinc/89/84/41/373898441.db2.gz RLDKSUZSJIZYDZ-CZUORRHYSA-N 2 1 282.378 3.490 20 0 CGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1 ZINC000449783906 373912814 /nfs/dbraw/zinc/91/28/14/373912814.db2.gz SORSTRTUKUVSJE-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1 ZINC000449783906 373912821 /nfs/dbraw/zinc/91/28/21/373912821.db2.gz SORSTRTUKUVSJE-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000302850516 373985172 /nfs/dbraw/zinc/98/51/72/373985172.db2.gz IQXWOLPXWHYMFY-GASCZTMLSA-N 2 1 295.430 3.103 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000311898659 374259400 /nfs/dbraw/zinc/25/94/00/374259400.db2.gz FJSXBKUDWNNHNE-ZDUSSCGKSA-N 2 1 257.381 3.375 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000312512062 374282424 /nfs/dbraw/zinc/28/24/24/374282424.db2.gz JUNJFQHKGIIWLQ-YESZJQIVSA-N 2 1 272.436 3.214 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c(C)s1 ZINC000182741382 374320675 /nfs/dbraw/zinc/32/06/75/374320675.db2.gz QWOUOFCCFWBSMT-OCCSQVGLSA-N 2 1 266.454 3.500 20 0 CGADMP c1cnc2c(c1)cccc2C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000316481021 374333877 /nfs/dbraw/zinc/33/38/77/374333877.db2.gz WUYRASWBJLSGAG-ZWKOTPCHSA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000316481021 374333883 /nfs/dbraw/zinc/33/38/83/374333883.db2.gz WUYRASWBJLSGAG-ZWKOTPCHSA-N 2 1 295.430 3.341 20 0 CGADMP Cc1ccc2cc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)ccc2n1 ZINC000317788155 374342358 /nfs/dbraw/zinc/34/23/58/374342358.db2.gz DMOPIQMHOGNWJK-QGZVFWFLSA-N 2 1 297.446 3.363 20 0 CGADMP CC(C)c1cnc(C[N@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000183047265 374361243 /nfs/dbraw/zinc/36/12/43/374361243.db2.gz JBUUFJZENXMEPD-UHFFFAOYSA-N 2 1 281.469 3.040 20 0 CGADMP CC(C)c1cnc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000183047265 374361249 /nfs/dbraw/zinc/36/12/49/374361249.db2.gz JBUUFJZENXMEPD-UHFFFAOYSA-N 2 1 281.469 3.040 20 0 CGADMP C[C@@H]([NH2+]Cc1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102465 374372012 /nfs/dbraw/zinc/37/20/12/374372012.db2.gz QGHREUXWPPOTRQ-KGLIPLIRSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@@H]([NH2+]Cc1ccco1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102465 374372016 /nfs/dbraw/zinc/37/20/16/374372016.db2.gz QGHREUXWPPOTRQ-KGLIPLIRSA-N 2 1 262.397 3.022 20 0 CGADMP CCC1([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000453299649 374401211 /nfs/dbraw/zinc/40/12/11/374401211.db2.gz VIVMLOQTFCZTBX-RDJZCZTQSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCc3ccccc32)CC[N@H+]1C ZINC000183432459 374414483 /nfs/dbraw/zinc/41/44/83/374414483.db2.gz PZBYWDHUXBXNDG-AYBZRNKSSA-N 2 1 286.463 3.353 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)[C@@H](C)C1 ZINC000453330217 374423968 /nfs/dbraw/zinc/42/39/68/374423968.db2.gz AWLLDGZVGBXDQI-XSLAGTTESA-N 2 1 296.499 3.005 20 0 CGADMP C[N@@H+](CCCC[NH2+]CC1CCCCCC1)C1CC1 ZINC000453601631 374476973 /nfs/dbraw/zinc/47/69/73/374476973.db2.gz UUWZCVMSGQXYOM-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090118849 541958148 /nfs/dbraw/zinc/95/81/48/541958148.db2.gz ZMUOHLGJGRENKP-YJBOKZPZSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000090118849 541958150 /nfs/dbraw/zinc/95/81/50/541958150.db2.gz ZMUOHLGJGRENKP-YJBOKZPZSA-N 2 1 272.436 3.429 20 0 CGADMP CCC(C)(C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093279304 541981618 /nfs/dbraw/zinc/98/16/18/541981618.db2.gz OSKGLKJYXCKKKN-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000093475967 541980587 /nfs/dbraw/zinc/98/05/87/541980587.db2.gz QVGXFHZTNXHUMC-UHFFFAOYSA-N 2 1 288.435 3.146 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516872 541982242 /nfs/dbraw/zinc/98/22/42/541982242.db2.gz RZCSISQHRWKILW-HUBLWGQQSA-N 2 1 279.428 3.253 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459728065 374817236 /nfs/dbraw/zinc/81/72/36/374817236.db2.gz COGXJJOXLKYWRC-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000334480390 374785915 /nfs/dbraw/zinc/78/59/15/374785915.db2.gz UAANTUSUOQAMDF-SJPCQFCGSA-N 2 1 258.409 3.052 20 0 CGADMP COCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000186884261 374932563 /nfs/dbraw/zinc/93/25/63/374932563.db2.gz DQXYBJSAVXWJQQ-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cc2[nH]c(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2c(C)c1 ZINC000334699822 374986315 /nfs/dbraw/zinc/98/63/15/374986315.db2.gz LKRNHBCFYAFKBG-CABCVRRESA-N 2 1 285.435 3.357 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000470255253 374995717 /nfs/dbraw/zinc/99/57/17/374995717.db2.gz NXXVBPDQTBGRIJ-SIRPWMCASA-N 2 1 264.457 3.275 20 0 CGADMP Clc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000335027877 375080293 /nfs/dbraw/zinc/08/02/93/375080293.db2.gz PUESLTYJIMSUCP-YIONKMFJSA-N 2 1 276.811 3.202 20 0 CGADMP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000188008927 375139411 /nfs/dbraw/zinc/13/94/11/375139411.db2.gz AMIKAJMZDSCWPR-YCPHGPKFSA-N 2 1 296.480 3.003 20 0 CGADMP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000188008927 375139421 /nfs/dbraw/zinc/13/94/21/375139421.db2.gz AMIKAJMZDSCWPR-YCPHGPKFSA-N 2 1 296.480 3.003 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC1CC[NH2+]CC1 ZINC000479687709 375155106 /nfs/dbraw/zinc/15/51/06/375155106.db2.gz NGQSDMAXYKWLTM-FVQBIDKESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H](C)[C@@H]1C)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000482896001 375172893 /nfs/dbraw/zinc/17/28/93/375172893.db2.gz TXLKWIQTGRWULM-QMHWVQJVSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C)[C@@H]1C)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482896001 375172902 /nfs/dbraw/zinc/17/29/02/375172902.db2.gz TXLKWIQTGRWULM-QMHWVQJVSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C)[C@@H]1C)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000482896001 375172910 /nfs/dbraw/zinc/17/29/10/375172910.db2.gz TXLKWIQTGRWULM-QMHWVQJVSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CCC1 ZINC000474485247 375115098 /nfs/dbraw/zinc/11/50/98/375115098.db2.gz PEQDALDEGROMKS-BBRMVZONSA-N 2 1 252.446 3.275 20 0 CGADMP COC[C@H](C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000187939886 375123018 /nfs/dbraw/zinc/12/30/18/375123018.db2.gz ZLEXXFTVOKQNJJ-CVEARBPZSA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)=CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000188456790 375218388 /nfs/dbraw/zinc/21/83/88/375218388.db2.gz GBXJAXZBSDTHHE-UHFFFAOYSA-N 2 1 272.436 3.249 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000488014778 375296541 /nfs/dbraw/zinc/29/65/41/375296541.db2.gz ZZEZMVRDEOTOOS-MRXNPFEDSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000488014778 375296546 /nfs/dbraw/zinc/29/65/46/375296546.db2.gz ZZEZMVRDEOTOOS-MRXNPFEDSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000488014778 375296552 /nfs/dbraw/zinc/29/65/52/375296552.db2.gz ZZEZMVRDEOTOOS-MRXNPFEDSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000488014778 375296558 /nfs/dbraw/zinc/29/65/58/375296558.db2.gz ZZEZMVRDEOTOOS-MRXNPFEDSA-N 2 1 264.388 3.050 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2c3ccccc3-c3ccccc32)CC[NH2+]1 ZINC000335537762 375327878 /nfs/dbraw/zinc/32/78/78/375327878.db2.gz DDDGMVQTJGGGCO-ZIAGYGMSSA-N 2 1 278.399 3.487 20 0 CGADMP CCc1ccccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000189179761 375336388 /nfs/dbraw/zinc/33/63/88/375336388.db2.gz VEBGZNYRCIQAFC-UHFFFAOYSA-N 2 1 260.425 3.211 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000189179789 375336520 /nfs/dbraw/zinc/33/65/20/375336520.db2.gz WEZUGCHLVWOYDE-GUDVDZBRSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000335843542 375477458 /nfs/dbraw/zinc/47/74/58/375477458.db2.gz HRBYTCIWSMZSGS-WFASDCNBSA-N 2 1 298.434 3.203 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000335843542 375477469 /nfs/dbraw/zinc/47/74/69/375477469.db2.gz HRBYTCIWSMZSGS-WFASDCNBSA-N 2 1 298.434 3.203 20 0 CGADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000190487738 375514587 /nfs/dbraw/zinc/51/45/87/375514587.db2.gz WYRRBTMKGZQRJV-PKOBYXMFSA-N 2 1 299.462 3.192 20 0 CGADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000190487738 375514597 /nfs/dbraw/zinc/51/45/97/375514597.db2.gz WYRRBTMKGZQRJV-PKOBYXMFSA-N 2 1 299.462 3.192 20 0 CGADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000190487738 375514604 /nfs/dbraw/zinc/51/46/04/375514604.db2.gz WYRRBTMKGZQRJV-PKOBYXMFSA-N 2 1 299.462 3.192 20 0 CGADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000190487738 375514606 /nfs/dbraw/zinc/51/46/06/375514606.db2.gz WYRRBTMKGZQRJV-PKOBYXMFSA-N 2 1 299.462 3.192 20 0 CGADMP C[C@H]1CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000190512472 375517235 /nfs/dbraw/zinc/51/72/35/375517235.db2.gz ILNSRUACOGAPAL-RCCFBDPRSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cnn1C(C)C ZINC000191103322 375578317 /nfs/dbraw/zinc/57/83/17/375578317.db2.gz VEHNXVWILGKMIX-CYBMUJFWSA-N 2 1 280.460 3.011 20 0 CGADMP CC[C@H](C)C[N@@H+](CC)Cc1cccc2c1CC[NH2+]C2 ZINC000123999603 542029543 /nfs/dbraw/zinc/02/95/43/542029543.db2.gz JHNITIMIALTKDN-AWEZNQCLSA-N 2 1 260.425 3.200 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000507357182 375699286 /nfs/dbraw/zinc/69/92/86/375699286.db2.gz IDGSFPQWEZKNNY-FUHWJXTLSA-N 2 1 296.499 3.386 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507486774 375706886 /nfs/dbraw/zinc/70/68/86/375706886.db2.gz PEHKPTJKNQTOKU-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507486774 375706894 /nfs/dbraw/zinc/70/68/94/375706894.db2.gz PEHKPTJKNQTOKU-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000508215508 375741517 /nfs/dbraw/zinc/74/15/17/375741517.db2.gz PIMCBQPJDZRHNH-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(Cl)c1Cl ZINC000519400571 375835212 /nfs/dbraw/zinc/83/52/12/375835212.db2.gz ISHNCDTYKFRTRS-DTWKUNHWSA-N 2 1 261.196 3.209 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000336691918 375904207 /nfs/dbraw/zinc/90/42/07/375904207.db2.gz AFINVKVDYXFZPS-OAHLLOKOSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000336691918 375904211 /nfs/dbraw/zinc/90/42/11/375904211.db2.gz AFINVKVDYXFZPS-OAHLLOKOSA-N 2 1 250.430 3.149 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000336804559 375955968 /nfs/dbraw/zinc/95/59/68/375955968.db2.gz FKAOLLVQKRHUCS-HZPDHXFCSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000336804559 375955970 /nfs/dbraw/zinc/95/59/70/375955970.db2.gz FKAOLLVQKRHUCS-HZPDHXFCSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336819885 375975555 /nfs/dbraw/zinc/97/55/55/375975555.db2.gz AXKLIQSKSYRMOT-QGZVFWFLSA-N 2 1 269.392 3.419 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000336819885 375975565 /nfs/dbraw/zinc/97/55/65/375975565.db2.gz AXKLIQSKSYRMOT-QGZVFWFLSA-N 2 1 269.392 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)c2ccsc2S1 ZINC000336712087 375915419 /nfs/dbraw/zinc/91/54/19/375915419.db2.gz NRMNBJCJYDDTPV-ZYHUDNBSSA-N 2 1 270.467 3.215 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000336719729 375918623 /nfs/dbraw/zinc/91/86/23/375918623.db2.gz RSUXMKMUGGWSEY-LBPRGKRZSA-N 2 1 254.805 3.078 20 0 CGADMP C[N@H+](CCC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336716370 375919231 /nfs/dbraw/zinc/91/92/31/375919231.db2.gz PDLVFTDDAWSJMR-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@@H+](CCC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336716370 375919238 /nfs/dbraw/zinc/91/92/38/375919238.db2.gz PDLVFTDDAWSJMR-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1cccc(O)c1 ZINC000336838852 376000745 /nfs/dbraw/zinc/00/07/45/376000745.db2.gz RRPJRCSLNVMJBA-AWEZNQCLSA-N 2 1 287.407 3.370 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1cccc(O)c1 ZINC000336838852 376000746 /nfs/dbraw/zinc/00/07/46/376000746.db2.gz RRPJRCSLNVMJBA-AWEZNQCLSA-N 2 1 287.407 3.370 20 0 CGADMP CCC(CC)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000536682341 376121205 /nfs/dbraw/zinc/12/12/05/376121205.db2.gz HVNNXFQXTPBOIO-CVEARBPZSA-N 2 1 252.446 3.370 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000195138389 376083206 /nfs/dbraw/zinc/08/32/06/376083206.db2.gz VVEZMFOHCBZMII-FUHWJXTLSA-N 2 1 295.430 3.254 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000537294562 376161030 /nfs/dbraw/zinc/16/10/30/376161030.db2.gz FBAQPGDDMCCMTG-IKGGRYGDSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337245349 376162313 /nfs/dbraw/zinc/16/23/13/376162313.db2.gz IJWPCUQUSVTEBH-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337245349 376162319 /nfs/dbraw/zinc/16/23/19/376162319.db2.gz IJWPCUQUSVTEBH-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217517866 376175106 /nfs/dbraw/zinc/17/51/06/376175106.db2.gz VZLKXZCJQCDMOJ-RYUDHWBXSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217517866 376175113 /nfs/dbraw/zinc/17/51/13/376175113.db2.gz VZLKXZCJQCDMOJ-RYUDHWBXSA-N 2 1 252.789 3.072 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337272579 376184066 /nfs/dbraw/zinc/18/40/66/376184066.db2.gz CFNACMXGAHDZEP-OWCLPIDISA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cc(F)ccc1F ZINC000221911094 376222500 /nfs/dbraw/zinc/22/25/00/376222500.db2.gz CBDHOPYOQNIRQJ-GFCCVEGCSA-N 2 1 270.367 3.346 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000538488232 376244509 /nfs/dbraw/zinc/24/45/09/376244509.db2.gz VSBAXGGNWLQMIJ-HNNXBMFYSA-N 2 1 252.446 3.444 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224113231 376272019 /nfs/dbraw/zinc/27/20/19/376272019.db2.gz RRLQBEKUNRQZCT-SOUVJXGZSA-N 2 1 276.424 3.137 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224113231 376272023 /nfs/dbraw/zinc/27/20/23/376272023.db2.gz RRLQBEKUNRQZCT-SOUVJXGZSA-N 2 1 276.424 3.137 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326295 376351644 /nfs/dbraw/zinc/35/16/44/376351644.db2.gz BTRKZSXMTTZJCN-OLZOCXBDSA-N 2 1 298.377 3.410 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CC(C)C ZINC000132940387 542077257 /nfs/dbraw/zinc/07/72/57/542077257.db2.gz QFWXUOVZWCPACF-WMZOPIPTSA-N 3 1 297.531 3.063 20 0 CGADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540152262 376360802 /nfs/dbraw/zinc/36/08/02/376360802.db2.gz TURJIFSWRIIBOO-SJORKVTESA-N 2 1 284.488 3.005 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226540296 376362721 /nfs/dbraw/zinc/36/27/21/376362721.db2.gz IKAULIFSHFTQON-GMXVVIOVSA-N 2 1 286.341 3.436 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)C[C@H]21 ZINC000228842955 376450813 /nfs/dbraw/zinc/45/08/13/376450813.db2.gz HOULCJKRXPWREY-KCPJHIHWSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)C[C@H]21 ZINC000228842955 376450818 /nfs/dbraw/zinc/45/08/18/376450818.db2.gz HOULCJKRXPWREY-KCPJHIHWSA-N 2 1 282.790 3.038 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000541536099 376454496 /nfs/dbraw/zinc/45/44/96/376454496.db2.gz YAJHHHDRQUZRAX-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000541536099 376454499 /nfs/dbraw/zinc/45/44/99/376454499.db2.gz YAJHHHDRQUZRAX-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000541536099 376454500 /nfs/dbraw/zinc/45/45/00/376454500.db2.gz YAJHHHDRQUZRAX-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(C)CC2)[C@@H](C)C1 ZINC000542506533 376549638 /nfs/dbraw/zinc/54/96/38/376549638.db2.gz DLBMRIQGSQBSJO-XGHPGWEVSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC(C)CC2)[C@@H](C)C1 ZINC000542506533 376549649 /nfs/dbraw/zinc/54/96/49/376549649.db2.gz DLBMRIQGSQBSJO-XGHPGWEVSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000232712845 376587760 /nfs/dbraw/zinc/58/77/60/376587760.db2.gz NVMASYXDMAYLMS-FUHWJXTLSA-N 2 1 274.452 3.358 20 0 CGADMP CC(C)[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000232752034 376587811 /nfs/dbraw/zinc/58/78/11/376587811.db2.gz NVMASYXDMAYLMS-WMZOPIPTSA-N 2 1 274.452 3.358 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1Cl ZINC000235429990 376641238 /nfs/dbraw/zinc/64/12/38/376641238.db2.gz CRTQCAMBRKMNLY-GFCCVEGCSA-N 2 1 254.805 3.078 20 0 CGADMP C[C@H]([NH2+]CCC[NH3+])c1cc(Cl)sc1Cl ZINC000235516942 376643291 /nfs/dbraw/zinc/64/32/91/376643291.db2.gz SXAILUVDIMVNAS-LURJTMIESA-N 2 1 253.198 3.054 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000235707730 376649134 /nfs/dbraw/zinc/64/91/34/376649134.db2.gz VKJBMFYBHKKMFX-JSGCOSHPSA-N 2 1 266.816 3.221 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)Cc2ccsc2)C1 ZINC000544024122 376694887 /nfs/dbraw/zinc/69/48/87/376694887.db2.gz TVIPZLNZBPCXHH-GDBMZVCRSA-N 2 1 280.481 3.343 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000544024122 376694889 /nfs/dbraw/zinc/69/48/89/376694889.db2.gz TVIPZLNZBPCXHH-GDBMZVCRSA-N 2 1 280.481 3.343 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000245504097 376834879 /nfs/dbraw/zinc/83/48/79/376834879.db2.gz JJYTXUAYMMHOQX-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245588155 376862617 /nfs/dbraw/zinc/86/26/17/376862617.db2.gz KGVSPUGHGDUXMD-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245588155 376862623 /nfs/dbraw/zinc/86/26/23/376862623.db2.gz KGVSPUGHGDUXMD-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245588155 376862626 /nfs/dbraw/zinc/86/26/26/376862626.db2.gz KGVSPUGHGDUXMD-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000556782999 376878856 /nfs/dbraw/zinc/87/88/56/376878856.db2.gz IGSUDXPPJSIWRD-KGLIPLIRSA-N 2 1 266.454 3.001 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000556803126 376880598 /nfs/dbraw/zinc/88/05/98/376880598.db2.gz GTBLVAJCNQJUDK-UHFFFAOYSA-N 2 1 274.330 3.089 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000556803126 376880601 /nfs/dbraw/zinc/88/06/01/376880601.db2.gz GTBLVAJCNQJUDK-UHFFFAOYSA-N 2 1 274.330 3.089 20 0 CGADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000556839946 376887170 /nfs/dbraw/zinc/88/71/70/376887170.db2.gz YODXLOYSQMJOBX-FCLJQHQZSA-N 2 1 292.467 3.035 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245715715 376888940 /nfs/dbraw/zinc/88/89/40/376888940.db2.gz CTZUFRAQVKBJII-OCCSQVGLSA-N 2 1 275.421 3.336 20 0 CGADMP COc1c(C)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245770545 376905166 /nfs/dbraw/zinc/90/51/66/376905166.db2.gz RQQIDZFNXKVMGK-DOTOQJQBSA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245770545 376905172 /nfs/dbraw/zinc/90/51/72/376905172.db2.gz RQQIDZFNXKVMGK-DOTOQJQBSA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245770545 376905176 /nfs/dbraw/zinc/90/51/76/376905176.db2.gz RQQIDZFNXKVMGK-DOTOQJQBSA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245770545 376905180 /nfs/dbraw/zinc/90/51/80/376905180.db2.gz RQQIDZFNXKVMGK-DOTOQJQBSA-N 2 1 290.451 3.227 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000556922484 376906228 /nfs/dbraw/zinc/90/62/28/376906228.db2.gz CRVOWSZKTVLOQV-XHSDSOJGSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000556922484 376906233 /nfs/dbraw/zinc/90/62/33/376906233.db2.gz CRVOWSZKTVLOQV-XHSDSOJGSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245787337 376908397 /nfs/dbraw/zinc/90/83/97/376908397.db2.gz VNEMPINBGGTLJK-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245787337 376908402 /nfs/dbraw/zinc/90/84/02/376908402.db2.gz VNEMPINBGGTLJK-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245787337 376908406 /nfs/dbraw/zinc/90/84/06/376908406.db2.gz VNEMPINBGGTLJK-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245787337 376908414 /nfs/dbraw/zinc/90/84/14/376908414.db2.gz VNEMPINBGGTLJK-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000245885389 376925052 /nfs/dbraw/zinc/92/50/52/376925052.db2.gz BPMPUBOIRWPKIS-PEZLKRJXSA-N 2 1 296.499 3.289 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000246095114 376963809 /nfs/dbraw/zinc/96/38/09/376963809.db2.gz IWVDLVMCEHLDDF-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000246095114 376963822 /nfs/dbraw/zinc/96/38/22/376963822.db2.gz IWVDLVMCEHLDDF-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000246095114 376963830 /nfs/dbraw/zinc/96/38/30/376963830.db2.gz IWVDLVMCEHLDDF-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000558491107 377014937 /nfs/dbraw/zinc/01/49/37/377014937.db2.gz VXCYEMOBETZQFN-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000558491107 377014945 /nfs/dbraw/zinc/01/49/45/377014945.db2.gz VXCYEMOBETZQFN-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340356479 377018834 /nfs/dbraw/zinc/01/88/34/377018834.db2.gz VZBWQUFQUXZLEH-OAHLLOKOSA-N 2 1 261.413 3.055 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558695657 377032099 /nfs/dbraw/zinc/03/20/99/377032099.db2.gz MULQKCVOURPMFD-YDRHNJASSA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000558419101 377006510 /nfs/dbraw/zinc/00/65/10/377006510.db2.gz HRXVRMYDYRVEKK-QDLOVBKTSA-N 2 1 276.399 3.159 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246641225 377065861 /nfs/dbraw/zinc/06/58/61/377065861.db2.gz JPYVXXHJBVYNJN-SJORKVTESA-N 2 1 264.457 3.300 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559312385 377078133 /nfs/dbraw/zinc/07/81/33/377078133.db2.gz SWHMWJCYENBIBV-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559312385 377078144 /nfs/dbraw/zinc/07/81/44/377078144.db2.gz SWHMWJCYENBIBV-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246846622 377102567 /nfs/dbraw/zinc/10/25/67/377102567.db2.gz VKZNZLYAZJPMSV-CVEARBPZSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000246868626 377106513 /nfs/dbraw/zinc/10/65/13/377106513.db2.gz SQFULSYJYUOQIO-OHFALNGGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000246868626 377106519 /nfs/dbraw/zinc/10/65/19/377106519.db2.gz SQFULSYJYUOQIO-OHFALNGGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000246868626 377106529 /nfs/dbraw/zinc/10/65/29/377106529.db2.gz SQFULSYJYUOQIO-OHFALNGGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000246868626 377106537 /nfs/dbraw/zinc/10/65/37/377106537.db2.gz SQFULSYJYUOQIO-OHFALNGGSA-N 2 1 288.435 3.319 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000246984258 377131949 /nfs/dbraw/zinc/13/19/49/377131949.db2.gz JWCRSVSDEXIGNM-DOTOQJQBSA-N 2 1 290.451 3.294 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000246984258 377131959 /nfs/dbraw/zinc/13/19/59/377131959.db2.gz JWCRSVSDEXIGNM-DOTOQJQBSA-N 2 1 290.451 3.294 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1 ZINC000340599953 377166911 /nfs/dbraw/zinc/16/69/11/377166911.db2.gz VLUUHLZTVUXNOM-UHFFFAOYSA-N 2 1 264.388 3.134 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1 ZINC000340599953 377166916 /nfs/dbraw/zinc/16/69/16/377166916.db2.gz VLUUHLZTVUXNOM-UHFFFAOYSA-N 2 1 264.388 3.134 20 0 CGADMP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247148308 377167045 /nfs/dbraw/zinc/16/70/45/377167045.db2.gz WSTREONORZGMRT-IXDOHACOSA-N 2 1 290.451 3.001 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1(CC)CC ZINC000247170491 377169705 /nfs/dbraw/zinc/16/97/05/377169705.db2.gz SMUUOFWNQHWKHP-YHUYYLMFSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1(CC)CC ZINC000247170491 377169710 /nfs/dbraw/zinc/16/97/10/377169710.db2.gz SMUUOFWNQHWKHP-YHUYYLMFSA-N 2 1 282.472 3.043 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000247184046 377171761 /nfs/dbraw/zinc/17/17/61/377171761.db2.gz SIQNWLJEWSGOQF-WMLDXEAASA-N 2 1 283.419 3.055 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000247208508 377177378 /nfs/dbraw/zinc/17/73/78/377177378.db2.gz VOKWHUBYCHUZIT-BFHYXJOUSA-N 2 1 264.413 3.365 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccoc1 ZINC000247230627 377180216 /nfs/dbraw/zinc/18/02/16/377180216.db2.gz YGCYMBLFNNMFDW-LSDHHAIUSA-N 2 1 264.413 3.442 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000247961390 377248611 /nfs/dbraw/zinc/24/86/11/377248611.db2.gz GGYWQQADNGIXAK-ZACQAIPSSA-N 2 1 296.499 3.148 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000247993949 377254771 /nfs/dbraw/zinc/25/47/71/377254771.db2.gz JTFKWSKFMLBWKR-MAUKXSAKSA-N 2 1 299.462 3.420 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccccc3Cl)CC[C@H]21 ZINC000248166090 377274179 /nfs/dbraw/zinc/27/41/79/377274179.db2.gz TUARLYIYIKAAKM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccccc3Cl)CC[C@H]21 ZINC000248166090 377274185 /nfs/dbraw/zinc/27/41/85/377274185.db2.gz TUARLYIYIKAAKM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccccc3Cl)CC[C@H]21 ZINC000248166090 377274189 /nfs/dbraw/zinc/27/41/89/377274189.db2.gz TUARLYIYIKAAKM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP FCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248200557 377279743 /nfs/dbraw/zinc/27/97/43/377279743.db2.gz YOFJTUHOJPDPMK-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP FCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248200557 377279754 /nfs/dbraw/zinc/27/97/54/377279754.db2.gz YOFJTUHOJPDPMK-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP FCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248200557 377279767 /nfs/dbraw/zinc/27/97/67/377279767.db2.gz YOFJTUHOJPDPMK-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)[C@@H](C)C1 ZINC000248200491 377280183 /nfs/dbraw/zinc/28/01/83/377280183.db2.gz YNHPGDXLQZLHJG-KBPBESRZSA-N 2 1 280.481 3.346 20 0 CGADMP Cc1cccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000562443600 377309240 /nfs/dbraw/zinc/30/92/40/377309240.db2.gz KLQTUBBHLPXBQH-HYVNUMGLSA-N 2 1 258.409 3.225 20 0 CGADMP COCc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)o1 ZINC000248615087 377363782 /nfs/dbraw/zinc/36/37/82/377363782.db2.gz KAEUIMJVWFGURF-ZBFHGGJFSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)o1 ZINC000248615087 377363791 /nfs/dbraw/zinc/36/37/91/377363791.db2.gz KAEUIMJVWFGURF-ZBFHGGJFSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)o1 ZINC000248615087 377363800 /nfs/dbraw/zinc/36/38/00/377363800.db2.gz KAEUIMJVWFGURF-ZBFHGGJFSA-N 2 1 292.423 3.047 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000248612145 377364170 /nfs/dbraw/zinc/36/41/70/377364170.db2.gz XXMIPRVDUDFGRZ-YQQAZPJKSA-N 2 1 260.425 3.253 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@@H](C)C1 ZINC000248965039 377434158 /nfs/dbraw/zinc/43/41/58/377434158.db2.gz BPWRIXQIIWJVKN-USXIJHARSA-N 2 1 288.435 3.139 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@@H](C)C1 ZINC000248965039 377434162 /nfs/dbraw/zinc/43/41/62/377434162.db2.gz BPWRIXQIIWJVKN-USXIJHARSA-N 2 1 288.435 3.139 20 0 CGADMP CSCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000249188586 377476816 /nfs/dbraw/zinc/47/68/16/377476816.db2.gz MKFVHTYZVHMMSC-IRXDYDNUSA-N 2 1 290.476 3.266 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1)CC1CC[NH2+]CC1 ZINC000094012037 249039297 /nfs/dbraw/zinc/03/92/97/249039297.db2.gz RPETVMBJAUIHMU-UHFFFAOYSA-N 2 1 260.425 3.207 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000037643964 249002627 /nfs/dbraw/zinc/00/26/27/249002627.db2.gz PFJLVLHINBCGGQ-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037643964 249002629 /nfs/dbraw/zinc/00/26/29/249002629.db2.gz PFJLVLHINBCGGQ-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166481829 542175827 /nfs/dbraw/zinc/17/58/27/542175827.db2.gz BUBZXCNRURAKLR-IAGOWNOFSA-N 2 1 290.426 3.320 20 0 CGADMP C[C@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400318194 249122511 /nfs/dbraw/zinc/12/25/11/249122511.db2.gz AFGFMQAPAOYWMW-SUMWQHHRSA-N 2 1 254.377 3.070 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250108678 377550571 /nfs/dbraw/zinc/55/05/71/377550571.db2.gz GYZKVPHBPZQVPS-CCRGXQTGSA-N 2 1 288.410 3.288 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470021236 249166123 /nfs/dbraw/zinc/16/61/23/249166123.db2.gz SOQAPZQPUANADW-RDJZCZTQSA-N 2 1 260.425 3.112 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000515093025 249201574 /nfs/dbraw/zinc/20/15/74/249201574.db2.gz BVIQNGRKLBLCDO-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000515190476 249204653 /nfs/dbraw/zinc/20/46/53/249204653.db2.gz CFTFJZRSTGUSQJ-CVEARBPZSA-N 2 1 292.467 3.336 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000515190476 249204656 /nfs/dbraw/zinc/20/46/56/249204656.db2.gz CFTFJZRSTGUSQJ-CVEARBPZSA-N 2 1 292.467 3.336 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCOc1ccc(Cl)cc1 ZINC000515814551 249221364 /nfs/dbraw/zinc/22/13/64/249221364.db2.gz LNTCWEWHMQHGJX-AWEZNQCLSA-N 2 1 284.831 3.072 20 0 CGADMP C[C@@H](CC[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000251239491 377577957 /nfs/dbraw/zinc/57/79/57/377577957.db2.gz RXRLIYTVQZFIMY-RDJZCZTQSA-N 2 1 260.425 3.384 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000516964591 249252269 /nfs/dbraw/zinc/25/22/69/249252269.db2.gz YNCRJMUHZPUCIF-LBPRGKRZSA-N 2 1 286.366 3.247 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000573931212 377595285 /nfs/dbraw/zinc/59/52/85/377595285.db2.gz NVONYIIZWYBRFB-IAQYHMDHSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000573931212 377595296 /nfs/dbraw/zinc/59/52/96/377595296.db2.gz NVONYIIZWYBRFB-IAQYHMDHSA-N 2 1 289.810 3.200 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000518738528 249285683 /nfs/dbraw/zinc/28/56/83/249285683.db2.gz WGBSZNBOGICLJT-UKRRQHHQSA-N 2 1 278.440 3.104 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnc2ccccc12 ZINC000518813872 249287503 /nfs/dbraw/zinc/28/75/03/249287503.db2.gz BYJVSSHFHNWNQV-CQSZACIVSA-N 2 1 294.402 3.166 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1C ZINC000251914245 377604833 /nfs/dbraw/zinc/60/48/33/377604833.db2.gz UFGIIYXFMPRHRZ-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC000252134986 377614980 /nfs/dbraw/zinc/61/49/80/377614980.db2.gz MLJBINOZNBKSOB-HJQPHTCJSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000252134986 377614986 /nfs/dbraw/zinc/61/49/86/377614986.db2.gz MLJBINOZNBKSOB-HJQPHTCJSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000252139901 377615043 /nfs/dbraw/zinc/61/50/43/377615043.db2.gz MCDPXEGVROTIMG-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000252716224 377655775 /nfs/dbraw/zinc/65/57/75/377655775.db2.gz XYQDMUVCWYDRLA-BPLDGKMQSA-N 2 1 276.449 3.153 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000252716224 377655782 /nfs/dbraw/zinc/65/57/82/377655782.db2.gz XYQDMUVCWYDRLA-BPLDGKMQSA-N 2 1 276.449 3.153 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000342575527 377669340 /nfs/dbraw/zinc/66/93/40/377669340.db2.gz KLHCGCPCUWUTJJ-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000342575527 377669350 /nfs/dbraw/zinc/66/93/50/377669350.db2.gz KLHCGCPCUWUTJJ-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC2(C)C)C1 ZINC000342622966 377693949 /nfs/dbraw/zinc/69/39/49/377693949.db2.gz GZYIGBNZTISXNX-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000574738812 377701513 /nfs/dbraw/zinc/70/15/13/377701513.db2.gz DKMDAISVBVMNDM-UHFFFAOYSA-N 2 1 278.783 3.381 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000574738812 377701519 /nfs/dbraw/zinc/70/15/19/377701519.db2.gz DKMDAISVBVMNDM-UHFFFAOYSA-N 2 1 278.783 3.381 20 0 CGADMP C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253197609 377680967 /nfs/dbraw/zinc/68/09/67/377680967.db2.gz UZDUXDFPOXITLT-WCQYABFASA-N 2 1 286.341 3.122 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253197609 377680970 /nfs/dbraw/zinc/68/09/70/377680970.db2.gz UZDUXDFPOXITLT-WCQYABFASA-N 2 1 286.341 3.122 20 0 CGADMP COc1ccccc1/C=C\CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000255840135 377781323 /nfs/dbraw/zinc/78/13/23/377781323.db2.gz BOGDNQRNEAHPAA-MJWHDNRXSA-N 2 1 288.435 3.123 20 0 CGADMP COc1ccccc1/C=C\C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000255840135 377781333 /nfs/dbraw/zinc/78/13/33/377781333.db2.gz BOGDNQRNEAHPAA-MJWHDNRXSA-N 2 1 288.435 3.123 20 0 CGADMP C[C@@H]1CC[C@@H](C)[NH+]1C/C=C\C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000255479171 377761502 /nfs/dbraw/zinc/76/15/02/377761502.db2.gz BZNJQNVABVJJDU-GKEZSVGLSA-N 2 1 250.430 3.288 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261694595 377840337 /nfs/dbraw/zinc/84/03/37/377840337.db2.gz NPCHEAZSTXRRET-UEEZHKSASA-N 2 1 296.361 3.018 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261563948 377819111 /nfs/dbraw/zinc/81/91/11/377819111.db2.gz HCWNCPDZXKZZJY-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261563948 377819114 /nfs/dbraw/zinc/81/91/14/377819114.db2.gz HCWNCPDZXKZZJY-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)oc2cc1C ZINC000261630591 377829276 /nfs/dbraw/zinc/82/92/76/377829276.db2.gz CVOIKPGEXLMFHY-KRWDZBQOSA-N 2 1 272.392 3.220 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000342858170 377838954 /nfs/dbraw/zinc/83/89/54/377838954.db2.gz BCXKIHUDXAJUHH-HNNXBMFYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000342858170 377838963 /nfs/dbraw/zinc/83/89/63/377838963.db2.gz BCXKIHUDXAJUHH-HNNXBMFYSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257738680 377799099 /nfs/dbraw/zinc/79/90/99/377799099.db2.gz SDMOEZXORXIIAF-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257738680 377799100 /nfs/dbraw/zinc/79/91/00/377799100.db2.gz SDMOEZXORXIIAF-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@]2(C)CC[NH2+]C2)s1 ZINC000261906042 377865066 /nfs/dbraw/zinc/86/50/66/377865066.db2.gz WYHRNPKALHDMBC-WFASDCNBSA-N 2 1 281.469 3.006 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)s1 ZINC000261906042 377865072 /nfs/dbraw/zinc/86/50/72/377865072.db2.gz WYHRNPKALHDMBC-WFASDCNBSA-N 2 1 281.469 3.006 20 0 CGADMP c1cc2cnccc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000183353562 542230533 /nfs/dbraw/zinc/23/05/33/542230533.db2.gz UDEJSNICEVSJAI-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261957378 377872762 /nfs/dbraw/zinc/87/27/62/377872762.db2.gz OUDQNOSVFRAZQZ-WMLDXEAASA-N 2 1 278.415 3.454 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)ccc2c1 ZINC000262027918 377880062 /nfs/dbraw/zinc/88/00/62/377880062.db2.gz YKHVMEBXMIFGAE-OAHLLOKOSA-N 2 1 298.430 3.409 20 0 CGADMP C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262032225 377883041 /nfs/dbraw/zinc/88/30/41/377883041.db2.gz XHTFJWFREQSMPF-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262032229 377883146 /nfs/dbraw/zinc/88/31/46/377883146.db2.gz XHTFJWFREQSMPF-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)ccc2c1 ZINC000262489776 377899104 /nfs/dbraw/zinc/89/91/04/377899104.db2.gz KVUHNALEUOEFJC-SFHVURJKSA-N 2 1 298.430 3.422 20 0 CGADMP c1ccc(C[C@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262216992 377891760 /nfs/dbraw/zinc/89/17/60/377891760.db2.gz MGOHXGTXKVJOKI-GOSISDBHSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261719789 377844606 /nfs/dbraw/zinc/84/46/06/377844606.db2.gz NFXSRZVCLKGHAW-WBVHZDCISA-N 2 1 286.444 3.231 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000342861318 377844851 /nfs/dbraw/zinc/84/48/51/377844851.db2.gz WVZUVONVFGTREJ-INIZCTEOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000342861318 377844864 /nfs/dbraw/zinc/84/48/64/377844864.db2.gz WVZUVONVFGTREJ-INIZCTEOSA-N 2 1 263.429 3.340 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000261736896 377846599 /nfs/dbraw/zinc/84/65/99/377846599.db2.gz LSJJSPSMEHYNCN-CYBMUJFWSA-N 2 1 290.329 3.048 20 0 CGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000261768612 377851658 /nfs/dbraw/zinc/85/16/58/377851658.db2.gz DOJFCXWKMKFBOI-LBPRGKRZSA-N 2 1 281.469 3.001 20 0 CGADMP CC[NH2+]CC1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000261795903 377855900 /nfs/dbraw/zinc/85/59/00/377855900.db2.gz GNJAPDWKCSFERD-UHFFFAOYSA-N 2 1 295.496 3.262 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261819695 377857570 /nfs/dbraw/zinc/85/75/70/377857570.db2.gz APQDTDZCBDUCFY-QAPCUYQASA-N 2 1 298.430 3.278 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3c4ccccc4-c4ccccc43)C[C@@H]12 ZINC000262559913 377902355 /nfs/dbraw/zinc/90/23/55/377902355.db2.gz VDBFKJCFYTYPNI-UPRAQXHNSA-N 2 1 290.410 3.426 20 0 CGADMP c1c[nH+]c(C2CCN(c3ccnc4ccsc43)CC2)[nH]1 ZINC000266179164 378016400 /nfs/dbraw/zinc/01/64/00/378016400.db2.gz AIEDJIFBEYJDDD-UHFFFAOYSA-N 2 1 284.388 3.403 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000343638426 378050056 /nfs/dbraw/zinc/05/00/56/378050056.db2.gz WXHJYLSQGRQXCW-CABCVRRESA-N 2 1 299.393 3.090 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000268829343 378126054 /nfs/dbraw/zinc/12/60/54/378126054.db2.gz DSXAJLYVPNRJLY-QGZVFWFLSA-N 2 1 271.408 3.193 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268867805 378136145 /nfs/dbraw/zinc/13/61/45/378136145.db2.gz ADYWKOZSAJTDPE-DOTOQJQBSA-N 2 1 292.492 3.382 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268867805 378136154 /nfs/dbraw/zinc/13/61/54/378136154.db2.gz ADYWKOZSAJTDPE-DOTOQJQBSA-N 2 1 292.492 3.382 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccccc1F ZINC000268886694 378143462 /nfs/dbraw/zinc/14/34/62/378143462.db2.gz TUPUOHLTZRLSMO-GFCCVEGCSA-N 2 1 261.344 3.072 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000268903589 378147454 /nfs/dbraw/zinc/14/74/54/378147454.db2.gz QTFPHGHVVVUEEU-DOPJRALCSA-N 2 1 299.418 3.135 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000268906842 378148759 /nfs/dbraw/zinc/14/87/59/378148759.db2.gz XVFTWSDGAXCNRR-QGZVFWFLSA-N 2 1 269.392 3.167 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000578664393 378090479 /nfs/dbraw/zinc/09/04/79/378090479.db2.gz LQZBHBZKNSLEAE-SFHVURJKSA-N 2 1 297.446 3.368 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000578664393 378090483 /nfs/dbraw/zinc/09/04/83/378090483.db2.gz LQZBHBZKNSLEAE-SFHVURJKSA-N 2 1 297.446 3.368 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268708969 378093658 /nfs/dbraw/zinc/09/36/58/378093658.db2.gz JHTVCXMMNDOPAF-YQQAZPJKSA-N 2 1 260.425 3.428 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268708969 378093666 /nfs/dbraw/zinc/09/36/66/378093666.db2.gz JHTVCXMMNDOPAF-YQQAZPJKSA-N 2 1 260.425 3.428 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000269135501 378192534 /nfs/dbraw/zinc/19/25/34/378192534.db2.gz QMWVEGSNSSVUOU-KRWDZBQOSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000269135501 378192535 /nfs/dbraw/zinc/19/25/35/378192535.db2.gz QMWVEGSNSSVUOU-KRWDZBQOSA-N 2 1 269.392 3.201 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000579781228 378192619 /nfs/dbraw/zinc/19/26/19/378192619.db2.gz PFRBSSJFADMKPH-KRWDZBQOSA-N 2 1 288.479 3.410 20 0 CGADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000345159236 378207885 /nfs/dbraw/zinc/20/78/85/378207885.db2.gz GMATUZUTTGAFJQ-KBPBESRZSA-N 2 1 269.392 3.154 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344290798 378166919 /nfs/dbraw/zinc/16/69/19/378166919.db2.gz MOPSYNLTBVBWIH-KRWDZBQOSA-N 2 1 274.383 3.055 20 0 CGADMP COc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000582056952 378282715 /nfs/dbraw/zinc/28/27/15/378282715.db2.gz ICIJJZZPNNIUEZ-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000582056952 378282718 /nfs/dbraw/zinc/28/27/18/378282718.db2.gz ICIJJZZPNNIUEZ-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580834540 378262696 /nfs/dbraw/zinc/26/26/96/378262696.db2.gz SVADNNOAUBUJPP-LJQANCHMSA-N 2 1 280.415 3.415 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000582387711 378309969 /nfs/dbraw/zinc/30/99/69/378309969.db2.gz IYZUZGFHDRIIAF-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000582387711 378309972 /nfs/dbraw/zinc/30/99/72/378309972.db2.gz IYZUZGFHDRIIAF-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000582387711 378309977 /nfs/dbraw/zinc/30/99/77/378309977.db2.gz IYZUZGFHDRIIAF-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000582387711 378309981 /nfs/dbraw/zinc/30/99/81/378309981.db2.gz IYZUZGFHDRIIAF-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCCC[C@@H]1C ZINC000583330453 378322194 /nfs/dbraw/zinc/32/21/94/378322194.db2.gz ZUDPATSDUHNRDD-HOCLYGCPSA-N 2 1 263.429 3.253 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCCC[C@@H]1C ZINC000583330453 378322200 /nfs/dbraw/zinc/32/22/00/378322200.db2.gz ZUDPATSDUHNRDD-HOCLYGCPSA-N 2 1 263.429 3.253 20 0 CGADMP Cc1c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cnn1C(C)C ZINC000345682896 378342934 /nfs/dbraw/zinc/34/29/34/378342934.db2.gz NHHFULKMPJNEGP-AWEZNQCLSA-N 2 1 280.460 3.153 20 0 CGADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cnn1C(C)C ZINC000345682896 378342938 /nfs/dbraw/zinc/34/29/38/378342938.db2.gz NHHFULKMPJNEGP-AWEZNQCLSA-N 2 1 280.460 3.153 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000583815546 378349165 /nfs/dbraw/zinc/34/91/65/378349165.db2.gz QWWGGALRSIHAGN-CYBMUJFWSA-N 2 1 289.448 3.085 20 0 CGADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1C ZINC000270595742 378372605 /nfs/dbraw/zinc/37/26/05/378372605.db2.gz FWTSANPJUCDQLH-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1C ZINC000270595742 378372611 /nfs/dbraw/zinc/37/26/11/378372611.db2.gz FWTSANPJUCDQLH-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1C ZINC000270623784 378378136 /nfs/dbraw/zinc/37/81/36/378378136.db2.gz DTFAFCTVIFSVLM-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1C ZINC000270623784 378378138 /nfs/dbraw/zinc/37/81/38/378378138.db2.gz DTFAFCTVIFSVLM-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346011489 378437687 /nfs/dbraw/zinc/43/76/87/378437687.db2.gz FGNSVHSTHKSOGK-MRXNPFEDSA-N 2 1 298.430 3.465 20 0 CGADMP C[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2)C(F)F)CC1 ZINC000271201337 378482234 /nfs/dbraw/zinc/48/22/34/378482234.db2.gz BMGACUBLFJGKRK-MRXNPFEDSA-N 2 1 296.405 3.184 20 0 CGADMP Cc1nccc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000346175534 378491862 /nfs/dbraw/zinc/49/18/62/378491862.db2.gz AKKMBFCYKYXEHB-QGZVFWFLSA-N 2 1 298.434 3.354 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000346175228 378492147 /nfs/dbraw/zinc/49/21/47/378492147.db2.gz NJNMAFHMGSBRQV-QAPCUYQASA-N 2 1 296.418 3.340 20 0 CGADMP COc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)cc1 ZINC000271810970 378506980 /nfs/dbraw/zinc/50/69/80/378506980.db2.gz ASZJEAAQEBVATA-SFHVURJKSA-N 2 1 288.435 3.244 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000346550272 378615117 /nfs/dbraw/zinc/61/51/17/378615117.db2.gz FXVKSXNCNMDTBC-SOLBZPMBSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638002591 378665180 /nfs/dbraw/zinc/66/51/80/378665180.db2.gz ZUTGFHCBVUXHOG-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346846224 378695053 /nfs/dbraw/zinc/69/50/53/378695053.db2.gz NNTTZVPXNQJEDD-DOTOQJQBSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000347959696 378740198 /nfs/dbraw/zinc/74/01/98/378740198.db2.gz MIIXXRIXMWAUCS-KGLIPLIRSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638365586 378779326 /nfs/dbraw/zinc/77/93/26/378779326.db2.gz GFAIHNCADCXFHI-AWEZNQCLSA-N 2 1 291.439 3.154 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638366609 378780397 /nfs/dbraw/zinc/78/03/97/378780397.db2.gz PIHCKCRFAXZBMS-NXOAAHMSSA-N 2 1 264.457 3.134 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000348081113 378782602 /nfs/dbraw/zinc/78/26/02/378782602.db2.gz IFLNRESKTZPUFX-YJBOKZPZSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000348081113 378782608 /nfs/dbraw/zinc/78/26/08/378782608.db2.gz IFLNRESKTZPUFX-YJBOKZPZSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000348113118 378797635 /nfs/dbraw/zinc/79/76/35/378797635.db2.gz FBGQMGAZUDYVOX-HOCLYGCPSA-N 2 1 273.424 3.137 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000360275449 296281577 /nfs/dbraw/zinc/28/15/77/296281577.db2.gz RHWMKJQAECRZTE-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000348259888 378870710 /nfs/dbraw/zinc/87/07/10/378870710.db2.gz MXCRQEZNHNDSTP-XMTFNYHQSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000348259888 378870712 /nfs/dbraw/zinc/87/07/12/378870712.db2.gz MXCRQEZNHNDSTP-XMTFNYHQSA-N 2 1 270.420 3.007 20 0 CGADMP Cc1nc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cs1 ZINC000348320592 378905636 /nfs/dbraw/zinc/90/56/36/378905636.db2.gz MJPQJRVNDAQEHZ-NSHDSACASA-N 2 1 278.425 3.087 20 0 CGADMP C[C@@H](CC[NH2+]CCC[C@H]1CCO1)[N@@H+](C)Cc1ccccc1 ZINC000638726416 378890177 /nfs/dbraw/zinc/89/01/77/378890177.db2.gz QSOGAYXKQVUUAS-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000274826597 378902876 /nfs/dbraw/zinc/90/28/76/378902876.db2.gz CHOVEXNGHFFNPY-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000274826597 378902880 /nfs/dbraw/zinc/90/28/80/378902880.db2.gz CHOVEXNGHFFNPY-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347004654 218089125 /nfs/dbraw/zinc/08/91/25/218089125.db2.gz AIVBGFXYYVYJLS-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274866608 378909927 /nfs/dbraw/zinc/90/99/27/378909927.db2.gz DUSLVDXBGCRCJX-LBPRGKRZSA-N 2 1 292.814 3.371 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000346997197 218085614 /nfs/dbraw/zinc/08/56/14/218085614.db2.gz CNLIOXPCPKIUJX-SWLSCSKDSA-N 2 1 272.392 3.164 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000347002332 218086745 /nfs/dbraw/zinc/08/67/45/218086745.db2.gz JETAUIUJKHCGOB-YOEHRIQHSA-N 2 1 276.424 3.035 20 0 CGADMP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638971050 378961553 /nfs/dbraw/zinc/96/15/53/378961553.db2.gz PIIGAQYTXXFWGA-LHHMISFZSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638971936 378963392 /nfs/dbraw/zinc/96/33/92/378963392.db2.gz RTTHSUFWBFLLRY-TUVASFSCSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000300131749 296285532 /nfs/dbraw/zinc/28/55/32/296285532.db2.gz FSDGKRUKJQJXBV-CBBWQLFWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000300131749 296285533 /nfs/dbraw/zinc/28/55/33/296285533.db2.gz FSDGKRUKJQJXBV-CBBWQLFWSA-N 2 1 250.430 3.028 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000370592705 379036884 /nfs/dbraw/zinc/03/68/84/379036884.db2.gz IFQJNJRHASFNID-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003319 379043661 /nfs/dbraw/zinc/04/36/61/379043661.db2.gz ASSAGBNZAPFWEE-KCQAQPDRSA-N 2 1 296.842 3.180 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277184449 379092905 /nfs/dbraw/zinc/09/29/05/379092905.db2.gz LLECZORWAPXLSI-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCC1CCCC1 ZINC000371294447 379132439 /nfs/dbraw/zinc/13/24/39/379132439.db2.gz KVLQHKUUIHLILU-KZNAEPCWSA-N 2 1 294.483 3.140 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277270578 379114847 /nfs/dbraw/zinc/11/48/47/379114847.db2.gz RQSQDUBOODKMMZ-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277270578 379114862 /nfs/dbraw/zinc/11/48/62/379114862.db2.gz RQSQDUBOODKMMZ-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC(F)F)c1 ZINC000349383304 379262154 /nfs/dbraw/zinc/26/21/54/379262154.db2.gz LJVKSECWHYVZQU-UHFFFAOYSA-N 2 1 286.366 3.062 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(F)F)c1 ZINC000349383304 379262157 /nfs/dbraw/zinc/26/21/57/379262157.db2.gz LJVKSECWHYVZQU-UHFFFAOYSA-N 2 1 286.366 3.062 20 0 CGADMP COC1CC[NH+](C2(C[NH2+]CC(C)(C)C)CCCC2)CC1 ZINC000341301229 284773342 /nfs/dbraw/zinc/77/33/42/284773342.db2.gz YBZXOMANKINXRV-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000639378943 379337266 /nfs/dbraw/zinc/33/72/66/379337266.db2.gz JPVUTRGNDKBGQC-UHFFFAOYSA-N 2 1 289.467 3.059 20 0 CGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278922460 379408596 /nfs/dbraw/zinc/40/85/96/379408596.db2.gz IDDIMSYEEPLUSB-SUMWQHHRSA-N 2 1 299.393 3.252 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278988593 194242965 /nfs/dbraw/zinc/24/29/65/194242965.db2.gz PUWUBUFZDMFWCB-HZPDHXFCSA-N 2 1 283.419 3.413 20 0 CGADMP C[N@H+]1CCCC12CCN(Cc1cccc3ncccc13)CC2 ZINC000639557993 379471322 /nfs/dbraw/zinc/47/13/22/379471322.db2.gz AUAWRHVRZFTFQK-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](Cc1cccc3ncccc13)CC2 ZINC000639557993 379471332 /nfs/dbraw/zinc/47/13/32/379471332.db2.gz AUAWRHVRZFTFQK-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](Cc1cccc3ncccc13)CC2 ZINC000639557993 379471336 /nfs/dbraw/zinc/47/13/36/379471336.db2.gz AUAWRHVRZFTFQK-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000377398707 379671981 /nfs/dbraw/zinc/67/19/81/379671981.db2.gz JWKMPWSHPYDFFR-RRFJBIMHSA-N 2 1 275.440 3.462 20 0 CGADMP CC(C)[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000280454051 379709432 /nfs/dbraw/zinc/70/94/32/379709432.db2.gz ZCEVEWGXTZWVSF-GOSISDBHSA-N 2 1 272.436 3.278 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534572 379846749 /nfs/dbraw/zinc/84/67/49/379846749.db2.gz ICEDUKGHCMQTNY-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000352544948 379850784 /nfs/dbraw/zinc/85/07/84/379850784.db2.gz DZPVEDOMUAESGT-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP CCC1(C[N@@H+](CCC[NH3+])CC2CCCC2)CCOCC1 ZINC000352546149 379852614 /nfs/dbraw/zinc/85/26/14/379852614.db2.gz QIVPXANHJARUQU-UHFFFAOYSA-N 2 1 282.472 3.034 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)oc1C ZINC000282162844 379865873 /nfs/dbraw/zinc/86/58/73/379865873.db2.gz LUQVLMHFIBGKRZ-AAEUAGOBSA-N 2 1 275.396 3.388 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000392272155 379911644 /nfs/dbraw/zinc/91/16/44/379911644.db2.gz VLBUYJCMXTZNNG-DHBQWTBNSA-N 2 1 288.479 3.443 20 0 CGADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCCCCC1 ZINC000394532733 379919814 /nfs/dbraw/zinc/91/98/14/379919814.db2.gz LSBFCOKSGDRVTF-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)[C@H]1CC1(C)C ZINC000397669800 379924407 /nfs/dbraw/zinc/92/44/07/379924407.db2.gz FLMUPEJFSXZCDY-KFWWJZLASA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000282459040 379925014 /nfs/dbraw/zinc/92/50/14/379925014.db2.gz VNDQZIYCZZKZTF-QWQRMKEZSA-N 2 1 285.435 3.029 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000279024639 194254589 /nfs/dbraw/zinc/25/45/89/194254589.db2.gz VGBOSHLTTRNCDR-MAUKXSAKSA-N 2 1 283.419 3.432 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2csc(C)c2C)CC1 ZINC000399826194 379945149 /nfs/dbraw/zinc/94/51/49/379945149.db2.gz JRGKJFKQFDPECZ-UHFFFAOYSA-N 2 1 266.454 3.329 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000409445699 380033975 /nfs/dbraw/zinc/03/39/75/380033975.db2.gz RSJRNQZVQDFZBA-INIZCTEOSA-N 2 1 260.425 3.208 20 0 CGADMP CSc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000352831018 379990377 /nfs/dbraw/zinc/99/03/77/379990377.db2.gz BQOZVZKGPKSBDF-LLVKDONJSA-N 2 1 295.477 3.401 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000282796309 379991150 /nfs/dbraw/zinc/99/11/50/379991150.db2.gz ZARTZLFWFNDGML-ZDUSSCGKSA-N 2 1 278.827 3.123 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000283433862 380063146 /nfs/dbraw/zinc/06/31/46/380063146.db2.gz SPALFMOPIZJHTN-MVJTYMMSSA-N 2 1 272.436 3.110 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000410394593 380093622 /nfs/dbraw/zinc/09/36/22/380093622.db2.gz BZRHLLZNBJZJSH-HOTGVXAUSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000410394593 380093626 /nfs/dbraw/zinc/09/36/26/380093626.db2.gz BZRHLLZNBJZJSH-HOTGVXAUSA-N 2 1 254.462 3.332 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C(C2CCC2)C2CCC2)s1 ZINC000353115084 380121577 /nfs/dbraw/zinc/12/15/77/380121577.db2.gz XFVXWDCEXRKSFH-UHFFFAOYSA-N 2 1 293.480 3.263 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C[C@@H]1CC=CCC1)C1CCCCC1 ZINC000642627132 380181931 /nfs/dbraw/zinc/18/19/31/380181931.db2.gz AJQWNUIENHPVJP-NVXWUHKLSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC[N@@H+]1C ZINC000414093977 380189499 /nfs/dbraw/zinc/18/94/99/380189499.db2.gz FYNYYHRRDYTDQG-KBUPBQIOSA-N 2 1 282.472 3.041 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC[N@H+]1C ZINC000414093977 380189506 /nfs/dbraw/zinc/18/95/06/380189506.db2.gz FYNYYHRRDYTDQG-KBUPBQIOSA-N 2 1 282.472 3.041 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000414182073 380199553 /nfs/dbraw/zinc/19/95/53/380199553.db2.gz MRCKGVQHQSOGJV-BZUAXINKSA-N 2 1 296.499 3.290 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000414199926 380202450 /nfs/dbraw/zinc/20/24/50/380202450.db2.gz XBVUEVPIVVOKOJ-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC[N@@H+]1C ZINC000414300718 380209923 /nfs/dbraw/zinc/20/99/23/380209923.db2.gz LCKMUBSTBHUBQE-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC[N@H+]1C ZINC000414300718 380209926 /nfs/dbraw/zinc/20/99/26/380209926.db2.gz LCKMUBSTBHUBQE-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccoc1C ZINC000414448123 380241615 /nfs/dbraw/zinc/24/16/15/380241615.db2.gz YYWJVFZUVAWWJC-UHFFFAOYSA-N 2 1 275.396 3.259 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccoc1C ZINC000414448123 380241620 /nfs/dbraw/zinc/24/16/20/380241620.db2.gz YYWJVFZUVAWWJC-UHFFFAOYSA-N 2 1 275.396 3.259 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000354105879 380327193 /nfs/dbraw/zinc/32/71/93/380327193.db2.gz FPYWLEMFKGUXFA-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000354105879 380327200 /nfs/dbraw/zinc/32/72/00/380327200.db2.gz FPYWLEMFKGUXFA-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000354105879 380327206 /nfs/dbraw/zinc/32/72/06/380327206.db2.gz FPYWLEMFKGUXFA-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP CC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)CC(F)(F)F ZINC000414513489 380288823 /nfs/dbraw/zinc/28/88/23/380288823.db2.gz GFGIKEIZGZYYLJ-LLVKDONJSA-N 2 1 289.345 3.216 20 0 CGADMP CC(C)[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000414671730 380363676 /nfs/dbraw/zinc/36/36/76/380363676.db2.gz OGQOFGOVSZMKMH-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000414675341 380366085 /nfs/dbraw/zinc/36/60/85/380366085.db2.gz FTBVFLMNUULHTK-NJAFHUGGSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2F)C2CC2)CC[NH2+]1 ZINC000414681325 380370884 /nfs/dbraw/zinc/37/08/84/380370884.db2.gz OVPHAZIEQIKSQA-KBPBESRZSA-N 2 1 276.399 3.178 20 0 CGADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000414682511 380371387 /nfs/dbraw/zinc/37/13/87/380371387.db2.gz RINIILLFKXTJTM-MRXNPFEDSA-N 2 1 260.425 3.082 20 0 CGADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000414682511 380371391 /nfs/dbraw/zinc/37/13/91/380371391.db2.gz RINIILLFKXTJTM-MRXNPFEDSA-N 2 1 260.425 3.082 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414684570 380372769 /nfs/dbraw/zinc/37/27/69/380372769.db2.gz VZMXNKQNLRSEMU-MCIONIFRSA-N 2 1 264.388 3.207 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC[NH2+]1 ZINC000414700339 380380319 /nfs/dbraw/zinc/38/03/19/380380319.db2.gz JNMAKDSKZJQZKU-QGPMSJSTSA-N 2 1 290.426 3.221 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1C(F)(F)F ZINC000414730424 380388866 /nfs/dbraw/zinc/38/88/66/380388866.db2.gz GWRUVFYGIOCBGO-AWEZNQCLSA-N 2 1 286.341 3.185 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC000414748080 380390895 /nfs/dbraw/zinc/39/08/95/380390895.db2.gz VYHZZGIQXNABNF-OLZOCXBDSA-N 2 1 278.827 3.086 20 0 CGADMP CC[N@@H+](CCC[NH3+])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000414748067 380391298 /nfs/dbraw/zinc/39/12/98/380391298.db2.gz UBOQZHRQJLNRME-MRXNPFEDSA-N 2 1 266.404 3.064 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000643526845 380342769 /nfs/dbraw/zinc/34/27/69/380342769.db2.gz AMFDPHYGQUNDTD-QMTHXVAHSA-N 2 1 252.789 3.044 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000643527751 380343313 /nfs/dbraw/zinc/34/33/13/380343313.db2.gz RVPKOFMPWXDGMH-RNCFNFMXSA-N 2 1 297.240 3.108 20 0 CGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528692 380344512 /nfs/dbraw/zinc/34/45/12/380344512.db2.gz NCBKSPUCRLIJCV-VXGBXAGGSA-N 2 1 252.427 3.185 20 0 CGADMP C[NH2+][C@H]1CC[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414649157 380350087 /nfs/dbraw/zinc/35/00/87/380350087.db2.gz CAFBSPPHVXQYOD-VJFUWPCTSA-N 2 1 272.436 3.254 20 0 CGADMP C[NH2+][C@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414649157 380350094 /nfs/dbraw/zinc/35/00/94/380350094.db2.gz CAFBSPPHVXQYOD-VJFUWPCTSA-N 2 1 272.436 3.254 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545918 380357746 /nfs/dbraw/zinc/35/77/46/380357746.db2.gz FOWBVZDZKPPNFK-HUUCEWRRSA-N 2 1 288.435 3.329 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000643545926 380357774 /nfs/dbraw/zinc/35/77/74/380357774.db2.gz FQBUELZVNQCPRX-OCCSQVGLSA-N 2 1 292.398 3.160 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545916 380357778 /nfs/dbraw/zinc/35/77/78/380357778.db2.gz FOWBVZDZKPPNFK-CABCVRRESA-N 2 1 288.435 3.329 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643546430 380359746 /nfs/dbraw/zinc/35/97/46/380359746.db2.gz OQDCATXIBQFPTP-DGCLKSJQSA-N 2 1 279.453 3.085 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414668574 380361882 /nfs/dbraw/zinc/36/18/82/380361882.db2.gz AHPFPRIKFNGGMG-GJZGRUSLSA-N 2 1 278.415 3.424 20 0 CGADMP CC[N@H+](Cc1ccccc1C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414670672 380362245 /nfs/dbraw/zinc/36/22/45/380362245.db2.gz DPHUPSRNPIOKSQ-JKSUJKDBSA-N 2 1 260.425 3.205 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000414817270 380427812 /nfs/dbraw/zinc/42/78/12/380427812.db2.gz RWAUARZAPPSNHY-CYBMUJFWSA-N 2 1 274.330 3.313 20 0 CGADMP Cc1ccsc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855032 380457498 /nfs/dbraw/zinc/45/74/98/380457498.db2.gz VTWBGRBTUUTIOJ-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414835127 380442696 /nfs/dbraw/zinc/44/26/96/380442696.db2.gz HBYIKCPDFQQNNY-GOSISDBHSA-N 2 1 283.419 3.212 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000414836201 380444482 /nfs/dbraw/zinc/44/44/82/380444482.db2.gz IGODTDKPUSDMEQ-CYBMUJFWSA-N 2 1 262.422 3.364 20 0 CGADMP CCCOc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414842410 380448347 /nfs/dbraw/zinc/44/83/47/380448347.db2.gz MPZCQIAQLMKVHE-UHFFFAOYSA-N 2 1 276.424 3.227 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414773150 380398916 /nfs/dbraw/zinc/39/89/16/380398916.db2.gz DAWSAKCGSXNCSK-IRXDYDNUSA-N 2 1 272.436 3.125 20 0 CGADMP c1c2ccccc2sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774031 380399236 /nfs/dbraw/zinc/39/92/36/380399236.db2.gz XWQKNMUGUSCGBP-GASCZTMLSA-N 2 1 286.444 3.333 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414780978 380401586 /nfs/dbraw/zinc/40/15/86/380401586.db2.gz MFWSIVOZCGSWDN-HOTGVXAUSA-N 2 1 294.389 3.446 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414782746 380402972 /nfs/dbraw/zinc/40/29/72/380402972.db2.gz OTXGEEJYGYEILN-ZIAGYGMSSA-N 2 1 293.480 3.088 20 0 CGADMP CC1([NH2+]Cc2cnc(-c3ccccc3)s2)CC[NH2+]CC1 ZINC000414939717 380498167 /nfs/dbraw/zinc/49/81/67/380498167.db2.gz JLFVPIHTDQTNOE-UHFFFAOYSA-N 2 1 287.432 3.042 20 0 CGADMP C[NH2+]CCC[N@@H+](C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415128576 380509161 /nfs/dbraw/zinc/50/91/61/380509161.db2.gz SKALWNJUEOYXAR-GFCCVEGCSA-N 2 1 288.357 3.350 20 0 CGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(Cl)c1Cl ZINC000414857466 380460090 /nfs/dbraw/zinc/46/00/90/380460090.db2.gz PNQXORZMJPPZCB-SECBINFHSA-N 2 1 291.197 3.222 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000414857743 380460197 /nfs/dbraw/zinc/46/01/97/380460197.db2.gz FRGIIMWWNMUVCV-UHFFFAOYSA-N 2 1 295.430 3.229 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc3ncccc3c2)CCCCCC1 ZINC000414864552 380465304 /nfs/dbraw/zinc/46/53/04/380465304.db2.gz ZMZHBHKXSRPSFM-UHFFFAOYSA-N 2 1 283.419 3.376 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414877266 380470485 /nfs/dbraw/zinc/47/04/85/380470485.db2.gz LVTQUEXKBSOJMF-IBGZPJMESA-N 2 1 297.446 3.172 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414876895 380470833 /nfs/dbraw/zinc/47/08/33/380470833.db2.gz WSXHSZIPPIQXMP-HOTGVXAUSA-N 2 1 264.388 3.051 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000268824404 190437948 /nfs/dbraw/zinc/43/79/48/190437948.db2.gz AUROLESZPRTKDQ-PXAZEXFGSA-N 2 1 287.382 3.244 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC12CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417345244 380601350 /nfs/dbraw/zinc/60/13/50/380601350.db2.gz XILSXCNDSDBGIE-SZMVWBNQSA-N 2 1 284.447 3.287 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000355693124 380752989 /nfs/dbraw/zinc/75/29/89/380752989.db2.gz TVGAAXWPXHVKBO-AWEZNQCLSA-N 2 1 263.429 3.109 20 0 CGADMP CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355741689 380765382 /nfs/dbraw/zinc/76/53/82/380765382.db2.gz LCAXCOJBFINUBO-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355741689 380765385 /nfs/dbraw/zinc/76/53/85/380765385.db2.gz LCAXCOJBFINUBO-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355741689 380765388 /nfs/dbraw/zinc/76/53/88/380765388.db2.gz LCAXCOJBFINUBO-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000355896752 380785022 /nfs/dbraw/zinc/78/50/22/380785022.db2.gz QCXJNJRJFRITPY-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(F)(F)F)C1 ZINC000355896752 380785029 /nfs/dbraw/zinc/78/50/29/380785029.db2.gz QCXJNJRJFRITPY-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(F)(F)F)C1 ZINC000355896752 380785033 /nfs/dbraw/zinc/78/50/33/380785033.db2.gz QCXJNJRJFRITPY-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000355896752 380785037 /nfs/dbraw/zinc/78/50/37/380785037.db2.gz QCXJNJRJFRITPY-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000355896752 380785041 /nfs/dbraw/zinc/78/50/41/380785041.db2.gz QCXJNJRJFRITPY-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646020178 380802694 /nfs/dbraw/zinc/80/26/94/380802694.db2.gz MRBAVTFGWNWBAD-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646020178 380802697 /nfs/dbraw/zinc/80/26/97/380802697.db2.gz MRBAVTFGWNWBAD-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP C(C[N@@H+](CC1CCCCC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420299098 380844979 /nfs/dbraw/zinc/84/49/79/380844979.db2.gz GGNMYLONHGSCGA-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000420318763 380846952 /nfs/dbraw/zinc/84/69/52/380846952.db2.gz OUPPGNGTTDMNBQ-SUMWQHHRSA-N 2 1 254.377 3.324 20 0 CGADMP Cc1csc([C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420315078 380849369 /nfs/dbraw/zinc/84/93/69/380849369.db2.gz KVBSHPZAOQOXJI-GJZGRUSLSA-N 2 1 293.480 3.368 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000356888243 380922753 /nfs/dbraw/zinc/92/27/53/380922753.db2.gz ZFDVNYHUCXYOMG-FGTMMUONSA-N 2 1 284.447 3.287 20 0 CGADMP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357073630 381019458 /nfs/dbraw/zinc/01/94/58/381019458.db2.gz HZKBSXFHTMRVJO-INIZCTEOSA-N 2 1 298.430 3.322 20 0 CGADMP CC[C@H](C)C[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000357340356 381113951 /nfs/dbraw/zinc/11/39/51/381113951.db2.gz BAUPHIIIEVWPAJ-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc([C@H]2CSCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359210242 381339307 /nfs/dbraw/zinc/33/93/07/381339307.db2.gz BHPDMCYMRLEMNM-QGZVFWFLSA-N 2 1 290.476 3.166 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358390111 381308089 /nfs/dbraw/zinc/30/80/89/381308089.db2.gz WZODRVKCAQZSGU-BUIXCFAXSA-N 2 1 288.410 3.275 20 0 CGADMP COC1(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCCC1 ZINC000359960749 381389368 /nfs/dbraw/zinc/38/93/68/381389368.db2.gz ZUZDYKRZIOQVLU-CALCHBBNSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000360700239 381622101 /nfs/dbraw/zinc/62/21/01/381622101.db2.gz BEZSDGVUNYVKKY-VCBZYWHSSA-N 2 1 297.446 3.096 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC12CCCCC2 ZINC000362107104 381884399 /nfs/dbraw/zinc/88/43/99/381884399.db2.gz TWTMVLFDUSUFAP-HNNXBMFYSA-N 2 1 250.430 3.269 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC12CCCCC2 ZINC000362107104 381884404 /nfs/dbraw/zinc/88/44/04/381884404.db2.gz TWTMVLFDUSUFAP-HNNXBMFYSA-N 2 1 250.430 3.269 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC12CCCCC2 ZINC000362107104 381884407 /nfs/dbraw/zinc/88/44/07/381884407.db2.gz TWTMVLFDUSUFAP-HNNXBMFYSA-N 2 1 250.430 3.269 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000362513264 382029422 /nfs/dbraw/zinc/02/94/22/382029422.db2.gz UQTCJWVKZXMBIX-LBPRGKRZSA-N 2 1 289.448 3.431 20 0 CGADMP C[N@H+](CC[NH2+]C1CCC2(CC2)CC1)C1CCCC1 ZINC000362926863 382152184 /nfs/dbraw/zinc/15/21/84/382152184.db2.gz DEUDFMYFHOWWFR-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC[NH2+]C1CCC2(CC2)CC1)C1CCCC1 ZINC000362926863 382152190 /nfs/dbraw/zinc/15/21/90/382152190.db2.gz DEUDFMYFHOWWFR-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000234102829 542308807 /nfs/dbraw/zinc/30/88/07/542308807.db2.gz GFJSIBZNCSXNST-WFASDCNBSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000234102829 542308812 /nfs/dbraw/zinc/30/88/12/542308812.db2.gz GFJSIBZNCSXNST-WFASDCNBSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCn1ccnc1 ZINC000366888305 382323014 /nfs/dbraw/zinc/32/30/14/382323014.db2.gz USCNDQLXOMYMSL-WBVHZDCISA-N 2 1 269.392 3.151 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000366964248 382327617 /nfs/dbraw/zinc/32/76/17/382327617.db2.gz SPLCCFLUZJYVHD-KZNAEPCWSA-N 2 1 296.499 3.124 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000367199646 382337697 /nfs/dbraw/zinc/33/76/97/382337697.db2.gz KXENVUWLXNISCH-JCNLHEQBSA-N 2 1 295.430 3.492 20 0 CGADMP CC(C)(C)SCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367252093 382341167 /nfs/dbraw/zinc/34/11/67/382341167.db2.gz KZOBWYSEYDPSNW-ZBFHGGJFSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367252093 382341171 /nfs/dbraw/zinc/34/11/71/382341171.db2.gz KZOBWYSEYDPSNW-ZBFHGGJFSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367252093 382341175 /nfs/dbraw/zinc/34/11/75/382341175.db2.gz KZOBWYSEYDPSNW-ZBFHGGJFSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367252093 382341176 /nfs/dbraw/zinc/34/11/76/382341176.db2.gz KZOBWYSEYDPSNW-ZBFHGGJFSA-N 2 1 296.524 3.467 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251908308 542348365 /nfs/dbraw/zinc/34/83/65/542348365.db2.gz XMRMEJFTDRKFJN-GXTWGEPZSA-N 2 1 286.341 3.265 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000250595555 542343660 /nfs/dbraw/zinc/34/36/60/542343660.db2.gz IQHURDRSFVZSAO-DOMZBBRYSA-N 2 1 294.439 3.294 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000250595555 542343663 /nfs/dbraw/zinc/34/36/63/542343663.db2.gz IQHURDRSFVZSAO-DOMZBBRYSA-N 2 1 294.439 3.294 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000251019140 542345194 /nfs/dbraw/zinc/34/51/94/542345194.db2.gz LCVZCISYBQAVPO-CVEARBPZSA-N 2 1 260.425 3.214 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@H](CC[NH3+])C1 ZINC000335363864 208279906 /nfs/dbraw/zinc/27/99/06/208279906.db2.gz XNZOHPDQRBDTRZ-CQSZACIVSA-N 2 1 269.392 3.108 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000273016812 542368509 /nfs/dbraw/zinc/36/85/09/542368509.db2.gz BYYRQJPPEYEADQ-UAGQMJEPSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000273016812 542368512 /nfs/dbraw/zinc/36/85/12/542368512.db2.gz BYYRQJPPEYEADQ-UAGQMJEPSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000273016818 542368640 /nfs/dbraw/zinc/36/86/40/542368640.db2.gz BYYRQJPPEYEADQ-USXIJHARSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000273016818 542368643 /nfs/dbraw/zinc/36/86/43/542368643.db2.gz BYYRQJPPEYEADQ-USXIJHARSA-N 2 1 288.435 3.281 20 0 CGADMP C[N@H+](Cc1ccc2occc2c1)CC1CC[NH+](C)CC1 ZINC000289352317 197307132 /nfs/dbraw/zinc/30/71/32/197307132.db2.gz NDVCMPZENGKCBI-UHFFFAOYSA-N 2 1 272.392 3.206 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000353776873 220325206 /nfs/dbraw/zinc/32/52/06/220325206.db2.gz URINYWOXYVEFIL-UHOSZYNNSA-N 2 1 284.447 3.208 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000414055242 533106928 /nfs/dbraw/zinc/10/69/28/533106928.db2.gz CIQIJXDFPYHXAO-CABCVRRESA-N 2 1 288.435 3.139 20 0 CGADMP CC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309791719 542426165 /nfs/dbraw/zinc/42/61/65/542426165.db2.gz OULUPFAFNKJOEP-KRWDZBQOSA-N 2 1 272.436 3.288 20 0 CGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)CCOC)CC1)CC1CC1 ZINC000357089920 542574413 /nfs/dbraw/zinc/57/44/13/542574413.db2.gz UVKPEMPHHOSUKH-MRXNPFEDSA-N 2 1 296.499 3.245 20 0 CGADMP C(CC[NH+]1CCC12CCC2)CC[N@H+]1CCC12CCC2 ZINC000357933839 542576509 /nfs/dbraw/zinc/57/65/09/542576509.db2.gz YYNWWAPZSKMOJM-UHFFFAOYSA-N 2 1 262.441 3.414 20 0 CGADMP CC[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCC1 ZINC000281862796 195413321 /nfs/dbraw/zinc/41/33/21/195413321.db2.gz DOOIDCMSZXYPEJ-GJZGRUSLSA-N 2 1 297.446 3.099 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265349 533300438 /nfs/dbraw/zinc/30/04/38/533300438.db2.gz QVGBPRKDBAUPPY-MSOLQXFVSA-N 2 1 288.435 3.180 20 0 CGADMP COc1ccc(C2([NH2+]C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000354961772 533428327 /nfs/dbraw/zinc/42/83/27/533428327.db2.gz CSKMQELHQXIMOH-UHFFFAOYSA-N 2 1 288.435 3.147 20 0 CGADMP CSCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915773 533580203 /nfs/dbraw/zinc/58/02/03/533580203.db2.gz RKPIMAVXRQFABG-NVXWUHKLSA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915773 533580206 /nfs/dbraw/zinc/58/02/06/533580206.db2.gz RKPIMAVXRQFABG-NVXWUHKLSA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915773 533580207 /nfs/dbraw/zinc/58/02/07/533580207.db2.gz RKPIMAVXRQFABG-NVXWUHKLSA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915773 533580211 /nfs/dbraw/zinc/58/02/11/533580211.db2.gz RKPIMAVXRQFABG-NVXWUHKLSA-N 2 1 292.492 3.334 20 0 CGADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1F ZINC000424387996 533591159 /nfs/dbraw/zinc/59/11/59/533591159.db2.gz YVECFCGKZDFCAK-CQSZACIVSA-N 2 1 276.399 3.098 20 0 CGADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000086595751 533536930 /nfs/dbraw/zinc/53/69/30/533536930.db2.gz ALKKXKCZBROKOH-PBWFPOADSA-N 2 1 294.826 3.063 20 0 CGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000086595751 533536936 /nfs/dbraw/zinc/53/69/36/533536936.db2.gz ALKKXKCZBROKOH-PBWFPOADSA-N 2 1 294.826 3.063 20 0 CGADMP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000390760524 542611314 /nfs/dbraw/zinc/61/13/14/542611314.db2.gz ZHNYIJGNVXPYIB-SFHVURJKSA-N 2 1 295.430 3.136 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000019912934 391937234 /nfs/dbraw/zinc/93/72/34/391937234.db2.gz RTKDQNTZIOBRIS-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000071116913 392188014 /nfs/dbraw/zinc/18/80/14/392188014.db2.gz VDKFNOUQLWBCBU-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc[nH+]1 ZINC000281972895 392265180 /nfs/dbraw/zinc/26/51/80/392265180.db2.gz RNNJGUGIEXZMHF-OAHLLOKOSA-N 2 1 296.418 3.307 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000361720300 392302552 /nfs/dbraw/zinc/30/25/52/392302552.db2.gz JNWUUZWYIWUEAR-IIAWOOMASA-N 2 1 278.465 3.097 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000107775430 392328669 /nfs/dbraw/zinc/32/86/69/392328669.db2.gz UZOWCGVAFVXFBE-IAGOWNOFSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000434776426 542656782 /nfs/dbraw/zinc/65/67/82/542656782.db2.gz MRMZGOAXDJLDQR-OAHLLOKOSA-N 2 1 252.446 3.134 20 0 CGADMP CCCC[C@H](CC)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000437783694 542661180 /nfs/dbraw/zinc/66/11/80/542661180.db2.gz IURHBTXWSULCEJ-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCS[C@H](c2ccccc2)C1 ZINC000361968760 392378763 /nfs/dbraw/zinc/37/87/63/392378763.db2.gz PTLGCHRBJCQGTO-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCS[C@H](c2ccccc2)C1 ZINC000361968760 392378769 /nfs/dbraw/zinc/37/87/69/392378769.db2.gz PTLGCHRBJCQGTO-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361968760 392378775 /nfs/dbraw/zinc/37/87/75/392378775.db2.gz PTLGCHRBJCQGTO-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361968760 392378780 /nfs/dbraw/zinc/37/87/80/392378780.db2.gz PTLGCHRBJCQGTO-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCS[C@@H](c2ccccc2)C1 ZINC000361968740 392378843 /nfs/dbraw/zinc/37/88/43/392378843.db2.gz PTLGCHRBJCQGTO-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCS[C@@H](c2ccccc2)C1 ZINC000361968740 392378847 /nfs/dbraw/zinc/37/88/47/392378847.db2.gz PTLGCHRBJCQGTO-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361968740 392378853 /nfs/dbraw/zinc/37/88/53/392378853.db2.gz PTLGCHRBJCQGTO-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361968740 392378859 /nfs/dbraw/zinc/37/88/59/392378859.db2.gz PTLGCHRBJCQGTO-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000126310027 392441775 /nfs/dbraw/zinc/44/17/75/392441775.db2.gz SJNSKLSUPMPVCB-NVXWUHKLSA-N 2 1 272.436 3.181 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126321929 392442056 /nfs/dbraw/zinc/44/20/56/392442056.db2.gz FMFIMEOFYWLUEC-SOLBZPMBSA-N 2 1 286.463 3.427 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000126564033 392442857 /nfs/dbraw/zinc/44/28/57/392442857.db2.gz PLGAANOOWHXOSI-JFIYKMOQSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130238053 392453928 /nfs/dbraw/zinc/45/39/28/392453928.db2.gz DQWRVVRFPBPFRF-USXIJHARSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150754958 392482320 /nfs/dbraw/zinc/48/23/20/392482320.db2.gz TWYVEEJXPSWMMB-HZPDHXFCSA-N 2 1 258.409 3.165 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000370592707 392507717 /nfs/dbraw/zinc/50/77/17/392507717.db2.gz IFQJNJRHASFNID-RRFJBIMHSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2O1 ZINC000295028477 392542896 /nfs/dbraw/zinc/54/28/96/392542896.db2.gz LINHYRSWJNUZMG-JYYAWHABSA-N 2 1 286.419 3.115 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2O1 ZINC000295028477 392542903 /nfs/dbraw/zinc/54/29/03/392542903.db2.gz LINHYRSWJNUZMG-JYYAWHABSA-N 2 1 286.419 3.115 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153445434 392516806 /nfs/dbraw/zinc/51/68/06/392516806.db2.gz HPJGYNZZYWVEIH-BEFAXECRSA-N 2 1 295.430 3.178 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccccc3Cl)CC[C@@H]21 ZINC000158484419 392568329 /nfs/dbraw/zinc/56/83/29/392568329.db2.gz TUARLYIYIKAAKM-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000161570919 392584653 /nfs/dbraw/zinc/58/46/53/392584653.db2.gz ZBECGFVHQHFKAW-CJNGLKHVSA-N 2 1 292.854 3.444 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000162180124 392592915 /nfs/dbraw/zinc/59/29/15/392592915.db2.gz BYVDZRCUCABMIX-HOTGVXAUSA-N 2 1 261.413 3.094 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000372643495 392624262 /nfs/dbraw/zinc/62/42/62/392624262.db2.gz YHQRRBCDILZGCT-HNNXBMFYSA-N 2 1 263.429 3.111 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647283684 392634969 /nfs/dbraw/zinc/63/49/69/392634969.db2.gz JQHJQHSEYFQKTH-QGZVFWFLSA-N 2 1 286.423 3.354 20 0 CGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000647288851 392638480 /nfs/dbraw/zinc/63/84/80/392638480.db2.gz RHRFJYBIZPBAGA-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC000647306086 392654981 /nfs/dbraw/zinc/65/49/81/392654981.db2.gz WOASTDBVXWFHLH-FBVQUNGASA-N 2 1 287.451 3.384 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000311595875 392661895 /nfs/dbraw/zinc/66/18/95/392661895.db2.gz FHGLZXNOFDQJHV-IGCXYCKISA-N 2 1 254.377 3.322 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000311595875 392661898 /nfs/dbraw/zinc/66/18/98/392661898.db2.gz FHGLZXNOFDQJHV-IGCXYCKISA-N 2 1 254.377 3.322 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482937 392737715 /nfs/dbraw/zinc/73/77/15/392737715.db2.gz LCTYQZAITXJWQS-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000647487594 392738904 /nfs/dbraw/zinc/73/89/04/392738904.db2.gz QSIPGJRBJCCWPJ-CYBMUJFWSA-N 2 1 293.480 3.362 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000647487594 392738906 /nfs/dbraw/zinc/73/89/06/392738906.db2.gz QSIPGJRBJCCWPJ-CYBMUJFWSA-N 2 1 293.480 3.362 20 0 CGADMP CC[C@@H]1C[N@@H+](CCc2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647497451 392740625 /nfs/dbraw/zinc/74/06/25/392740625.db2.gz IJJGAFMXNBPBAR-AEFFLSMTSA-N 2 1 274.452 3.412 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c3ncccc3c2)CC[C@H]1[NH3+] ZINC000647497308 392740966 /nfs/dbraw/zinc/74/09/66/392740966.db2.gz CKKFORRXLYIRHP-NVXWUHKLSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1N(C)C ZINC000182851799 392750275 /nfs/dbraw/zinc/75/02/75/392750275.db2.gz XNTYZHICEHIYHH-OFQRWUPVSA-N 2 1 275.440 3.202 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531124 392751616 /nfs/dbraw/zinc/75/16/16/392751616.db2.gz CLAWWRUDGXMDPV-UHFFFAOYSA-N 2 1 266.816 3.270 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000334853288 392754457 /nfs/dbraw/zinc/75/44/57/392754457.db2.gz IGWHPGSNHYWWPG-RYUDHWBXSA-N 2 1 264.800 3.044 20 0 CGADMP CCC[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534950 392755597 /nfs/dbraw/zinc/75/55/97/392755597.db2.gz ZFCXEEUIWJJDIK-KURKYZTESA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534950 392755603 /nfs/dbraw/zinc/75/56/03/392755603.db2.gz ZFCXEEUIWJJDIK-KURKYZTESA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1scnc1C1CC1 ZINC000486977729 542708853 /nfs/dbraw/zinc/70/88/53/542708853.db2.gz XMWSMUBTOXLPBF-ZDUSSCGKSA-N 2 1 293.480 3.375 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1scnc1C1CC1 ZINC000486977729 542708856 /nfs/dbraw/zinc/70/88/56/542708856.db2.gz XMWSMUBTOXLPBF-ZDUSSCGKSA-N 2 1 293.480 3.375 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000647552518 392765708 /nfs/dbraw/zinc/76/57/08/392765708.db2.gz DJBMHAXFCQFMQL-RKDXNWHRSA-N 2 1 292.757 3.157 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000647934575 392836219 /nfs/dbraw/zinc/83/62/19/392836219.db2.gz JHYCIYDEICMTLU-OAUYIBNBSA-N 2 1 276.399 3.262 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1cccs1 ZINC000375897334 392839225 /nfs/dbraw/zinc/83/92/25/392839225.db2.gz GUKDYBMPDMIGPG-QMCVQRASSA-N 2 1 292.492 3.389 20 0 CGADMP CC[C@H]1CN(c2[nH+]ccc3ccc(C)cc32)CC[C@H]1[NH3+] ZINC000647707292 392786633 /nfs/dbraw/zinc/78/66/33/392786633.db2.gz AMPGATBJRUZXFU-XJKSGUPXSA-N 2 1 269.392 3.107 20 0 CGADMP CC[C@@H]1CN(c2[nH+]ccc3ccc(C)cc32)CC[C@H]1[NH3+] ZINC000647707291 392786826 /nfs/dbraw/zinc/78/68/26/392786826.db2.gz AMPGATBJRUZXFU-CZUORRHYSA-N 2 1 269.392 3.107 20 0 CGADMP C[N@@H+](CCCOc1ccccc1)CCCC1CC[NH2+]CC1 ZINC000647879838 392823452 /nfs/dbraw/zinc/82/34/52/392823452.db2.gz ITWQPTUYLHTPER-UHFFFAOYSA-N 2 1 290.451 3.167 20 0 CGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882616 392824541 /nfs/dbraw/zinc/82/45/41/392824541.db2.gz GDICMODWJCZZBL-JQHSSLGASA-N 2 1 272.436 3.254 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC000647884172 392824990 /nfs/dbraw/zinc/82/49/90/392824990.db2.gz XDTKWUHHTXTDQM-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC000647884172 392824997 /nfs/dbraw/zinc/82/49/97/392824997.db2.gz XDTKWUHHTXTDQM-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000647885751 392827194 /nfs/dbraw/zinc/82/71/94/392827194.db2.gz LZAOBFYHZBDPDJ-SFHVURJKSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@@H]1CC[NH2+]C1 ZINC000647888055 392827379 /nfs/dbraw/zinc/82/73/79/392827379.db2.gz GIDSPSCKCYZFEI-DOTOQJQBSA-N 2 1 272.436 3.459 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903276 392829019 /nfs/dbraw/zinc/82/90/19/392829019.db2.gz INKLOJXAHXCMFW-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375843998 392831602 /nfs/dbraw/zinc/83/16/02/392831602.db2.gz ZDSLPENCAGPQDF-ZACQAIPSSA-N 2 1 290.476 3.371 20 0 CGADMP C[C@H](c1ccccc1Cl)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925256 392834953 /nfs/dbraw/zinc/83/49/53/392834953.db2.gz AEEOUIDBZGRIMT-LLVKDONJSA-N 2 1 252.789 3.214 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)C1 ZINC000516215312 392864297 /nfs/dbraw/zinc/86/42/97/392864297.db2.gz PBXGIADDNVUNSB-PBWTXFEYSA-N 2 1 286.463 3.499 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000521225564 392927799 /nfs/dbraw/zinc/92/77/99/392927799.db2.gz BXVRREPNKVWIKE-HNNXBMFYSA-N 2 1 280.387 3.017 20 0 CGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392184855 392929946 /nfs/dbraw/zinc/92/99/46/392929946.db2.gz CMQCNCLTRRAUJR-SJORKVTESA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000392826182 392931832 /nfs/dbraw/zinc/93/18/32/392931832.db2.gz WTUFYUQFIDIWCR-IPYPFGDCSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000394551602 392938325 /nfs/dbraw/zinc/93/83/25/392938325.db2.gz ZKFZSTOYEVKDDF-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000513713367 542732919 /nfs/dbraw/zinc/73/29/19/542732919.db2.gz NUBAEVZLRSRWBX-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459727068 392951882 /nfs/dbraw/zinc/95/18/82/392951882.db2.gz CDJIVPOQOXXRJQ-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459727069 392951895 /nfs/dbraw/zinc/95/18/95/392951895.db2.gz CDJIVPOQOXXRJQ-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000459790120 392955474 /nfs/dbraw/zinc/95/54/74/392955474.db2.gz QUVOIXUXNYFHEZ-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000195135578 392957814 /nfs/dbraw/zinc/95/78/14/392957814.db2.gz AHXXDLVCLMAWML-DOTOQJQBSA-N 2 1 272.436 3.287 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000340376717 392971846 /nfs/dbraw/zinc/97/18/46/392971846.db2.gz GUQJOOCAGVPSFW-HUUCEWRRSA-N 2 1 294.389 3.457 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000340376717 392971856 /nfs/dbraw/zinc/97/18/56/392971856.db2.gz GUQJOOCAGVPSFW-HUUCEWRRSA-N 2 1 294.389 3.457 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000648417829 393007594 /nfs/dbraw/zinc/00/75/94/393007594.db2.gz BEFMHZCTSWWFSW-YJBOKZPZSA-N 2 1 284.447 3.008 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000415006606 393089820 /nfs/dbraw/zinc/08/98/20/393089820.db2.gz KQWUGNKCOONQSD-KGLIPLIRSA-N 2 1 254.377 3.179 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000415016163 393098698 /nfs/dbraw/zinc/09/86/98/393098698.db2.gz ZXLXQIUOHZEEQM-QWRGUYRKSA-N 2 1 278.396 3.380 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344295321 393041283 /nfs/dbraw/zinc/04/12/83/393041283.db2.gz JVKVPCLYNOSAJA-FVQBIDKESA-N 2 1 250.430 3.053 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000415038227 393106060 /nfs/dbraw/zinc/10/60/60/393106060.db2.gz HUESOZKICWXJNL-MSOLQXFVSA-N 2 1 272.436 3.267 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038128 393106162 /nfs/dbraw/zinc/10/61/62/393106162.db2.gz HJVCADZVKZRLHZ-DOTOQJQBSA-N 2 1 290.476 3.373 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC000414692377 393052240 /nfs/dbraw/zinc/05/22/40/393052240.db2.gz PWYPJFUYRQGHCP-QGPMSJSTSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414700849 393052297 /nfs/dbraw/zinc/05/22/97/393052297.db2.gz GQGVGXUXJQOMHY-CHWSQXEVSA-N 2 1 278.827 3.086 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]CCc1ccc(C(C)C)cc1 ZINC000414838950 393056738 /nfs/dbraw/zinc/05/67/38/393056738.db2.gz LABYLYPVYDGWCT-QGZVFWFLSA-N 2 1 262.441 3.316 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(OC(F)F)cc1C ZINC000414949925 393057999 /nfs/dbraw/zinc/05/79/99/393057999.db2.gz OAXANQDLYJUUCV-TZMCWYRMSA-N 2 1 298.377 3.135 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414950729 393059140 /nfs/dbraw/zinc/05/91/40/393059140.db2.gz GJVIKRRBKNMAFX-VXGBXAGGSA-N 2 1 288.357 3.224 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414956647 393062927 /nfs/dbraw/zinc/06/29/27/393062927.db2.gz PYKZQALPPLGITM-LALPHHSUSA-N 2 1 266.816 3.001 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415035665 393107118 /nfs/dbraw/zinc/10/71/18/393107118.db2.gz FAQSBRDCUUDPGF-YOEHRIQHSA-N 2 1 276.399 3.098 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000247062868 393070105 /nfs/dbraw/zinc/07/01/05/393070105.db2.gz XVZBCEBEMIZELN-UPJWGTAASA-N 2 1 290.373 3.181 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414973244 393075102 /nfs/dbraw/zinc/07/51/02/393075102.db2.gz CALXDBJLDWBQKD-LLVKDONJSA-N 2 1 278.396 3.381 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc2ccccc2c1 ZINC000415047642 393110481 /nfs/dbraw/zinc/11/04/81/393110481.db2.gz FGNZBEDCMCKCLK-MRXNPFEDSA-N 2 1 256.393 3.303 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000415051115 393112777 /nfs/dbraw/zinc/11/27/77/393112777.db2.gz GNXUGJCCBXCFNC-BPQIPLTHSA-N 2 1 274.452 3.343 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415049426 393113284 /nfs/dbraw/zinc/11/32/84/393113284.db2.gz HEMCSKXJZFHIFX-WWDZGPRUSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000415058309 393119558 /nfs/dbraw/zinc/11/95/58/393119558.db2.gz VISPIURDDKNNFX-AWEZNQCLSA-N 2 1 291.826 3.351 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000415063712 393124353 /nfs/dbraw/zinc/12/43/53/393124353.db2.gz IWQSCXHYQHSCNX-PBHICJAKSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415068957 393126051 /nfs/dbraw/zinc/12/60/51/393126051.db2.gz RWYPLXKUDZUQHW-DYVFJYSZSA-N 2 1 278.415 3.254 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@H](C[NH3+])C3CCCC3)cc2s1 ZINC000415072356 393129661 /nfs/dbraw/zinc/12/96/61/393129661.db2.gz XXCNKYQOGGNCGE-OAHLLOKOSA-N 2 1 289.448 3.212 20 0 CGADMP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415080516 393134285 /nfs/dbraw/zinc/13/42/85/393134285.db2.gz YSMPGGBAYWIGRU-GFCCVEGCSA-N 2 1 284.806 3.143 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000415082082 393136967 /nfs/dbraw/zinc/13/69/67/393136967.db2.gz LGEVOMQBDCAHJI-IAQYHMDHSA-N 2 1 266.816 3.290 20 0 CGADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415088804 393141333 /nfs/dbraw/zinc/14/13/33/393141333.db2.gz MLWOPZVSDFETOJ-RCBQFDQVSA-N 2 1 298.858 3.379 20 0 CGADMP CC(C)[N@H+](CCC[NH+]1CCCCC1)Cc1ccccn1 ZINC000547738217 393142155 /nfs/dbraw/zinc/14/21/55/393142155.db2.gz ZOZCLIIMSOBYBM-UHFFFAOYSA-N 2 1 275.440 3.168 20 0 CGADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccn1 ZINC000547738217 393142164 /nfs/dbraw/zinc/14/21/64/393142164.db2.gz ZOZCLIIMSOBYBM-UHFFFAOYSA-N 2 1 275.440 3.168 20 0 CGADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262137845 393145363 /nfs/dbraw/zinc/14/53/63/393145363.db2.gz YVRSZWJOVXFUAM-JQHSSLGASA-N 2 1 272.436 3.172 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000271246565 393248312 /nfs/dbraw/zinc/24/83/12/393248312.db2.gz JNIFGTAEMJAWSW-OAHLLOKOSA-N 2 1 277.456 3.134 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000271246565 393248320 /nfs/dbraw/zinc/24/83/20/393248320.db2.gz JNIFGTAEMJAWSW-OAHLLOKOSA-N 2 1 277.456 3.134 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCC2 ZINC000271862118 393255378 /nfs/dbraw/zinc/25/53/78/393255378.db2.gz KOKMXHDYZNAYJP-GOSISDBHSA-N 2 1 270.420 3.224 20 0 CGADMP C[C@H](F)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352447872 393203540 /nfs/dbraw/zinc/20/35/40/393203540.db2.gz OYNREKHAHKSAAN-SZMVWBNQSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H](F)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352447872 393203542 /nfs/dbraw/zinc/20/35/42/393203542.db2.gz OYNREKHAHKSAAN-SZMVWBNQSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H](F)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352447872 393203544 /nfs/dbraw/zinc/20/35/44/393203544.db2.gz OYNREKHAHKSAAN-SZMVWBNQSA-N 2 1 290.426 3.188 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000268856807 393207077 /nfs/dbraw/zinc/20/70/77/393207077.db2.gz ZIWIIVDZEIPGMD-AWEZNQCLSA-N 2 1 291.395 3.157 20 0 CGADMP CC(C)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271831018 393256158 /nfs/dbraw/zinc/25/61/58/393256158.db2.gz OSKXFQTUNKZZLD-UHFFFAOYSA-N 2 1 258.409 3.162 20 0 CGADMP Fc1ccccc1C1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000647237291 393404572 /nfs/dbraw/zinc/40/45/72/393404572.db2.gz PDHMASDQXAOSIF-LSDHHAIUSA-N 2 1 288.410 3.421 20 0 CGADMP Fc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000647237291 393404575 /nfs/dbraw/zinc/40/45/75/393404575.db2.gz PDHMASDQXAOSIF-LSDHHAIUSA-N 2 1 288.410 3.421 20 0 CGADMP CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000588476243 542770207 /nfs/dbraw/zinc/77/02/07/542770207.db2.gz IPANNRDBMFBGAW-OEQZANGBSA-N 2 1 262.441 3.291 20 0 CGADMP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000588476243 542770212 /nfs/dbraw/zinc/77/02/12/542770212.db2.gz IPANNRDBMFBGAW-OEQZANGBSA-N 2 1 262.441 3.291 20 0 CGADMP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000588476243 542770215 /nfs/dbraw/zinc/77/02/15/542770215.db2.gz IPANNRDBMFBGAW-OEQZANGBSA-N 2 1 262.441 3.291 20 0 CGADMP [NH3+]CC[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000420406746 393484256 /nfs/dbraw/zinc/48/42/56/393484256.db2.gz NXWHAYBFBZBLIZ-AWEZNQCLSA-N 2 1 252.789 3.120 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)[C@H](C)C1 ZINC000487268159 393450445 /nfs/dbraw/zinc/45/04/45/393450445.db2.gz FZSDFLVZJRHBHG-VQHPVUNQSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC1(C)C ZINC000487275376 393450505 /nfs/dbraw/zinc/45/05/05/393450505.db2.gz WBFKLQFTVWRCSJ-CVEARBPZSA-N 2 1 294.483 3.046 20 0 CGADMP C(C[N@H+]1CCCC2(C1)CCCCCC2)[C@H]1CC[NH2+]C1 ZINC000420295247 393451321 /nfs/dbraw/zinc/45/13/21/393451321.db2.gz CAEFGAMDPILYPS-MRXNPFEDSA-N 2 1 264.457 3.422 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420301569 393455199 /nfs/dbraw/zinc/45/51/99/393455199.db2.gz LMEFZDCRWVXQBD-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420301746 393455656 /nfs/dbraw/zinc/45/56/56/393455656.db2.gz JARAWISWOUQGQQ-RDTXWAMCSA-N 2 1 270.420 3.138 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000427690149 393457728 /nfs/dbraw/zinc/45/77/28/393457728.db2.gz MBYRSOAOSATYBZ-JQHSSLGASA-N 2 1 274.452 3.326 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000427690149 393457731 /nfs/dbraw/zinc/45/77/31/393457731.db2.gz MBYRSOAOSATYBZ-JQHSSLGASA-N 2 1 274.452 3.326 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000420304487 393458110 /nfs/dbraw/zinc/45/81/10/393458110.db2.gz OOJMVWGMKQNDGN-WMZOPIPTSA-N 2 1 288.435 3.002 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420311430 393459089 /nfs/dbraw/zinc/45/90/89/393459089.db2.gz HBVLPPMTQVBABH-TZMCWYRMSA-N 2 1 281.469 3.142 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420308473 393459723 /nfs/dbraw/zinc/45/97/23/393459723.db2.gz SHFFZTOXFLXYIA-RYRKJORJSA-N 2 1 272.436 3.254 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420323772 393465269 /nfs/dbraw/zinc/46/52/69/393465269.db2.gz UIQNJVDETCIARR-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)CC2 ZINC000420337212 393470153 /nfs/dbraw/zinc/47/01/53/393470153.db2.gz WNWORLBETNVWON-RVKKMQEKSA-N 2 1 288.410 3.135 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CCC2 ZINC000420334012 393470578 /nfs/dbraw/zinc/47/05/78/393470578.db2.gz KTSWTHXCQWXDDL-RVKKMQEKSA-N 2 1 288.410 3.135 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346701 393472355 /nfs/dbraw/zinc/47/23/55/393472355.db2.gz XFROIECMWBWMCR-AHIWAGSCSA-N 2 1 294.389 3.347 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC000429514831 393472385 /nfs/dbraw/zinc/47/23/85/393472385.db2.gz MOJUHFPKBILPSP-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000420358974 393472683 /nfs/dbraw/zinc/47/26/83/393472683.db2.gz JYHJABGCOJRBEM-OAHLLOKOSA-N 2 1 252.377 3.064 20 0 CGADMP CC(C)(C)c1cccc(OCC[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420357883 393473034 /nfs/dbraw/zinc/47/30/34/393473034.db2.gz IANARGGZHJJVBD-MRXNPFEDSA-N 2 1 292.467 3.326 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CC2CCC2)C(C)C)cc1 ZINC000420379832 393477932 /nfs/dbraw/zinc/47/79/32/393477932.db2.gz VTCQUWQOQIQHDG-KRWDZBQOSA-N 2 1 290.451 3.248 20 0 CGADMP CSc1ccccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429542254 393477884 /nfs/dbraw/zinc/47/78/84/393477884.db2.gz RFWIIZLKVRESDR-HNNXBMFYSA-N 2 1 278.465 3.325 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429542254 393477886 /nfs/dbraw/zinc/47/78/86/393477886.db2.gz RFWIIZLKVRESDR-HNNXBMFYSA-N 2 1 278.465 3.325 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488290697 393479030 /nfs/dbraw/zinc/47/90/30/393479030.db2.gz HIUKTPNZOZNGQV-NXHRZFHOSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488290697 393479041 /nfs/dbraw/zinc/47/90/41/393479041.db2.gz HIUKTPNZOZNGQV-NXHRZFHOSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488290697 393479047 /nfs/dbraw/zinc/47/90/47/393479047.db2.gz HIUKTPNZOZNGQV-NXHRZFHOSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000649391819 393410669 /nfs/dbraw/zinc/41/06/69/393410669.db2.gz REJJKCAPWVUAFK-UHFFFAOYSA-N 2 1 299.418 3.255 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1OC1CC1 ZINC000649391819 393410678 /nfs/dbraw/zinc/41/06/78/393410678.db2.gz REJJKCAPWVUAFK-UHFFFAOYSA-N 2 1 299.418 3.255 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC1(C)C ZINC000647249108 393411972 /nfs/dbraw/zinc/41/19/72/393411972.db2.gz BNCBFVHPTHUBCC-RANZSIQMSA-N 2 1 286.463 3.356 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C[C@@H]1C[NH3+] ZINC000420414110 393486807 /nfs/dbraw/zinc/48/68/07/393486807.db2.gz UJJZOJZYRJFIOT-BFQNTYOBSA-N 2 1 278.827 3.244 20 0 CGADMP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)CC1CC[NH+](C)CC1 ZINC000488333963 393489920 /nfs/dbraw/zinc/48/99/20/393489920.db2.gz PXNBOUYSHZNWOK-UHFFFAOYSA-N 2 1 289.398 3.081 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000356840663 393502168 /nfs/dbraw/zinc/50/21/68/393502168.db2.gz FVFDGDOMBHRVLL-RHSMWYFYSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000356840663 393502174 /nfs/dbraw/zinc/50/21/74/393502174.db2.gz FVFDGDOMBHRVLL-RHSMWYFYSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000356886044 393504026 /nfs/dbraw/zinc/50/40/26/393504026.db2.gz XJMSEIDWTXCKIP-XWTMOSNGSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066811 393515262 /nfs/dbraw/zinc/51/52/62/393515262.db2.gz AWMSKVQLZBEDNC-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066811 393515266 /nfs/dbraw/zinc/51/52/66/393515266.db2.gz AWMSKVQLZBEDNC-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066811 393515271 /nfs/dbraw/zinc/51/52/71/393515271.db2.gz AWMSKVQLZBEDNC-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066811 393515278 /nfs/dbraw/zinc/51/52/78/393515278.db2.gz AWMSKVQLZBEDNC-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCS[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000666640949 542804985 /nfs/dbraw/zinc/80/49/85/542804985.db2.gz IGDZWUQUVYVMGU-VYDXJSESSA-N 2 1 290.476 3.165 20 0 CGADMP Nc1cc(C[N@H+]2CCCC3(CCCCC3)CC2)ccn1 ZINC000489045185 393572730 /nfs/dbraw/zinc/57/27/30/393572730.db2.gz SHROTCMUIJKFNX-UHFFFAOYSA-N 2 1 273.424 3.431 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770751 542814612 /nfs/dbraw/zinc/81/46/12/542814612.db2.gz VBMNZYVSOKOWKE-VXGBXAGGSA-N 2 1 286.872 3.454 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc3cnccc3c2)CCCCCC1 ZINC000666808181 542817006 /nfs/dbraw/zinc/81/70/06/542817006.db2.gz UVGVTHUJHSHRSU-UHFFFAOYSA-N 2 1 283.419 3.376 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000666801108 542817185 /nfs/dbraw/zinc/81/71/85/542817185.db2.gz VFHRWERBRYBPIJ-WFASDCNBSA-N 2 1 266.454 3.176 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[NH2+][C@@](C)(C[NH3+])C(C)C)c1C ZINC000430581559 393578606 /nfs/dbraw/zinc/57/86/06/393578606.db2.gz JLUIOTMLKVJAAG-SFHVURJKSA-N 2 1 290.451 3.277 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430643439 393582235 /nfs/dbraw/zinc/58/22/35/393582235.db2.gz RBSJNHZMWOZGMU-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000361133066 393679891 /nfs/dbraw/zinc/67/98/91/393679891.db2.gz UQUDBMYNMYKODX-GDBMZVCRSA-N 2 1 275.440 3.169 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000361133066 393679895 /nfs/dbraw/zinc/67/98/95/393679895.db2.gz UQUDBMYNMYKODX-GDBMZVCRSA-N 2 1 275.440 3.169 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419435 393611659 /nfs/dbraw/zinc/61/16/59/393611659.db2.gz BUFKMSGZXMCGHS-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419435 393611662 /nfs/dbraw/zinc/61/16/62/393611662.db2.gz BUFKMSGZXMCGHS-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](CCC1CCCC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419434 393612023 /nfs/dbraw/zinc/61/20/23/393612023.db2.gz BUFKMSGZXMCGHS-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](CCC1CCCC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419434 393612026 /nfs/dbraw/zinc/61/20/26/393612026.db2.gz BUFKMSGZXMCGHS-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490040635 393627617 /nfs/dbraw/zinc/62/76/17/393627617.db2.gz QOJDMYPCQTURCF-HKUYNNGSSA-N 2 1 286.463 3.331 20 0 CGADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423164780 393653332 /nfs/dbraw/zinc/65/33/32/393653332.db2.gz AFYSCVNNFKDDGD-MKXGPGLRSA-N 2 1 294.398 3.033 20 0 CGADMP CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[NH3+] ZINC000423182435 393653727 /nfs/dbraw/zinc/65/37/27/393653727.db2.gz KIOJIGKSUSJZHV-CYBMUJFWSA-N 2 1 289.250 3.499 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H](C[NH3+])C1CC1 ZINC000423265521 393656899 /nfs/dbraw/zinc/65/68/99/393656899.db2.gz BCNJSINKFXVXTP-IAGOWNOFSA-N 2 1 283.419 3.181 20 0 CGADMP CSCC1CCC([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423404259 393665111 /nfs/dbraw/zinc/66/51/11/393665111.db2.gz ZPJBJLJRACXMGI-NRXISQOPSA-N 2 1 284.513 3.276 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CCS2 ZINC000423442912 393667681 /nfs/dbraw/zinc/66/76/81/393667681.db2.gz KHACRVGBSANTRB-SGMGOOAPSA-N 2 1 264.438 3.166 20 0 CGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065556 393741662 /nfs/dbraw/zinc/74/16/62/393741662.db2.gz CDOGSUIZOZVDOL-STQMWFEESA-N 2 1 279.428 3.094 20 0 CGADMP CCC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000450493422 394004967 /nfs/dbraw/zinc/00/49/67/394004967.db2.gz CHPTWNXRMPSEEK-SJLPKXTDSA-N 2 1 296.499 3.124 20 0 CGADMP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c(CC)c1 ZINC000450491662 394005067 /nfs/dbraw/zinc/00/50/67/394005067.db2.gz XLXIGSMEVNCLDJ-UHFFFAOYSA-N 2 1 286.423 3.320 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453100623 394170458 /nfs/dbraw/zinc/17/04/58/394170458.db2.gz XWAZLQCDBFICCZ-HZPDHXFCSA-N 2 1 277.456 3.113 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453100623 394170461 /nfs/dbraw/zinc/17/04/61/394170461.db2.gz XWAZLQCDBFICCZ-HZPDHXFCSA-N 2 1 277.456 3.113 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453402706 394234528 /nfs/dbraw/zinc/23/45/28/394234528.db2.gz AKUSXNGGAAOSQA-JZAWBGDQSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453640846 394264929 /nfs/dbraw/zinc/26/49/29/394264929.db2.gz XMXOWJPGOGRLMZ-DOMZBBRYSA-N 2 1 281.469 3.263 20 0 CGADMP C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453640848 394264973 /nfs/dbraw/zinc/26/49/73/394264973.db2.gz XMXOWJPGOGRLMZ-SWLSCSKDSA-N 2 1 281.469 3.263 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)n1C ZINC000667642220 542902727 /nfs/dbraw/zinc/90/27/27/542902727.db2.gz SPIIVMFBISUORM-AWEZNQCLSA-N 2 1 263.429 3.377 20 0 CGADMP c1nc2n(c1C[N@H+]1CCC[C@@]3(CC=CCC3)C1)CCC2 ZINC000667642324 542903320 /nfs/dbraw/zinc/90/33/20/542903320.db2.gz XGBJLWPROUBYBC-KRWDZBQOSA-N 2 1 271.408 3.152 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](C)C1 ZINC000667695114 542918562 /nfs/dbraw/zinc/91/85/62/542918562.db2.gz KDQISFNFGISVCY-GJZGRUSLSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](C)C1 ZINC000667695114 542918565 /nfs/dbraw/zinc/91/85/65/542918565.db2.gz KDQISFNFGISVCY-GJZGRUSLSA-N 2 1 284.407 3.135 20 0 CGADMP Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668106924 542971548 /nfs/dbraw/zinc/97/15/48/542971548.db2.gz PTDBBHCNIYVIFW-GOSISDBHSA-N 2 1 299.393 3.208 20 0 CGADMP Cc1ncc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1C ZINC000668143130 542975192 /nfs/dbraw/zinc/97/51/92/542975192.db2.gz NDEPTWBIRDHOHJ-GUDVDZBRSA-N 2 1 295.430 3.497 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccncc2s1 ZINC000668172419 542980710 /nfs/dbraw/zinc/98/07/10/542980710.db2.gz NGGBKFIHKWWPJW-IUODEOHRSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccncc2s1 ZINC000668172419 542980712 /nfs/dbraw/zinc/98/07/12/542980712.db2.gz NGGBKFIHKWWPJW-IUODEOHRSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2ccncc2s1 ZINC000668172419 542980713 /nfs/dbraw/zinc/98/07/13/542980713.db2.gz NGGBKFIHKWWPJW-IUODEOHRSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2ccncc2s1 ZINC000668172419 542980716 /nfs/dbraw/zinc/98/07/16/542980716.db2.gz NGGBKFIHKWWPJW-IUODEOHRSA-N 2 1 289.448 3.068 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@@H]2CC2CCCC2)n1C ZINC000668298664 543003427 /nfs/dbraw/zinc/00/34/27/543003427.db2.gz GOADUDMFALUGHD-OAHLLOKOSA-N 2 1 261.413 3.273 20 0 CGADMP c1cc(C[NH+]2CCC(C3CCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668494195 543020472 /nfs/dbraw/zinc/02/04/72/543020472.db2.gz MUVLRWIYRUNZDE-UHFFFAOYSA-N 2 1 296.418 3.279 20 0 CGADMP C(CC1CCCCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668694104 543045601 /nfs/dbraw/zinc/04/56/01/543045601.db2.gz ZPYPVVBIIBWUEK-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000668785433 543061382 /nfs/dbraw/zinc/06/13/82/543061382.db2.gz QCSLFQGFCNYTFE-CGTJXYLNSA-N 2 1 294.483 3.021 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000551030564 289095778 /nfs/dbraw/zinc/09/57/78/289095778.db2.gz VIRDWJUNQQTYGD-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)[C@H]2CCC[C@@H]21 ZINC000671753570 543185869 /nfs/dbraw/zinc/18/58/69/543185869.db2.gz XQDQFSYZZMHIIO-QZWWFDLISA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000671753810 543186683 /nfs/dbraw/zinc/18/66/83/543186683.db2.gz UKDRBNMENOZUEU-IXDOHACOSA-N 2 1 266.473 3.379 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917713 397609790 /nfs/dbraw/zinc/60/97/90/397609790.db2.gz TYQQYKCGJCYVPT-MSOLQXFVSA-N 2 1 272.436 3.267 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000302441640 397676432 /nfs/dbraw/zinc/67/64/32/397676432.db2.gz WLGBJGTVHLHRLU-ARFHVFGLSA-N 2 1 252.446 3.133 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCCCC2)CCC1 ZINC000429355686 292123489 /nfs/dbraw/zinc/12/34/89/292123489.db2.gz IDIJQLXBKATQQM-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000386849796 397689881 /nfs/dbraw/zinc/68/98/81/397689881.db2.gz XQBNACZACQWJQP-FUHWJXTLSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)C1CCCCC1 ZINC000392267795 397692946 /nfs/dbraw/zinc/69/29/46/397692946.db2.gz IVKMPFMDUNSXNH-AWEZNQCLSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC2CCC1CC2 ZINC000394253560 397694795 /nfs/dbraw/zinc/69/47/95/397694795.db2.gz FNCPVAKWGPBVDC-OYTSBFLKSA-N 2 1 276.468 3.416 20 0 CGADMP CCC[N@@H+](Cc1cccc2c1CCC2)C1CC[NH2+]CC1 ZINC000650702762 397897539 /nfs/dbraw/zinc/89/75/39/397897539.db2.gz SUGOMFKMDNJFON-UHFFFAOYSA-N 2 1 272.436 3.139 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000650710740 397899297 /nfs/dbraw/zinc/89/92/97/397899297.db2.gz YJUUEPPJSXWESF-CXAGYDPISA-N 2 1 292.854 3.301 20 0 CGADMP Cc1ccc(F)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650718047 397901679 /nfs/dbraw/zinc/90/16/79/397901679.db2.gz WAMAZSWCGIUXFT-UHFFFAOYSA-N 2 1 276.330 3.022 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1csc(C)n1 ZINC000650755389 397909680 /nfs/dbraw/zinc/90/96/80/397909680.db2.gz DFRQIXOURBVWPF-NSHDSACASA-N 2 1 275.421 3.022 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499590 543344850 /nfs/dbraw/zinc/34/48/50/543344850.db2.gz MVISMXKWZZEALR-CQSZACIVSA-N 2 1 285.366 3.104 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675938464 543375526 /nfs/dbraw/zinc/37/55/26/543375526.db2.gz NBZIYIRPVDJKLJ-CRAIPNDOSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000675938464 543375528 /nfs/dbraw/zinc/37/55/28/543375528.db2.gz NBZIYIRPVDJKLJ-CRAIPNDOSA-N 2 1 270.420 3.348 20 0 CGADMP Cc1nc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000676839002 543421496 /nfs/dbraw/zinc/42/14/96/543421496.db2.gz ISIUIFPXNKEWJC-QWRGUYRKSA-N 2 1 292.452 3.252 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677237930 543440712 /nfs/dbraw/zinc/44/07/12/543440712.db2.gz RBZLKMOKODUTNZ-MSOLQXFVSA-N 2 1 286.463 3.489 20 0 CGADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)sc2c1CCCC2 ZINC000677237477 543440840 /nfs/dbraw/zinc/44/08/40/543440840.db2.gz JDBIRXQUFDLQJL-GJZGRUSLSA-N 2 1 290.476 3.343 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677130714 543434844 /nfs/dbraw/zinc/43/48/44/543434844.db2.gz VWSNRFBNCDOZRQ-IIYDPXPESA-N 2 1 292.373 3.169 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677130714 543434845 /nfs/dbraw/zinc/43/48/45/543434845.db2.gz VWSNRFBNCDOZRQ-IIYDPXPESA-N 2 1 292.373 3.169 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000677818224 543467592 /nfs/dbraw/zinc/46/75/92/543467592.db2.gz XCRRNYKQFKBBBJ-SFHVURJKSA-N 2 1 299.418 3.045 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000677818224 543467594 /nfs/dbraw/zinc/46/75/94/543467594.db2.gz XCRRNYKQFKBBBJ-SFHVURJKSA-N 2 1 299.418 3.045 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC000678225575 543495700 /nfs/dbraw/zinc/49/57/00/543495700.db2.gz LGMQVDLENBXSPU-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000678768253 543554959 /nfs/dbraw/zinc/55/49/59/543554959.db2.gz JVNYGWOZFDCAOA-DYVFJYSZSA-N 2 1 269.392 3.105 20 0 CGADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000678822879 543563650 /nfs/dbraw/zinc/56/36/50/543563650.db2.gz KBSGPXLMQILCHE-DOTOQJQBSA-N 2 1 299.418 3.332 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678926387 543572620 /nfs/dbraw/zinc/57/26/20/543572620.db2.gz AZJLNGULCMCOLX-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423178942 286354886 /nfs/dbraw/zinc/35/48/86/286354886.db2.gz LJYWFKUTLSSMTM-CYBMUJFWSA-N 2 1 262.397 3.007 20 0 CGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)C1CCCC1 ZINC000474927029 286835671 /nfs/dbraw/zinc/83/56/71/286835671.db2.gz QDFZIZNGSXGCSR-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000449075867 287013410 /nfs/dbraw/zinc/01/34/10/287013410.db2.gz WKODGPGLSVYVDH-CKEIUWERSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCC(F)(F)CC1 ZINC000353279217 287020044 /nfs/dbraw/zinc/02/00/44/287020044.db2.gz QXPLVLJQHGDFQX-GFCCVEGCSA-N 2 1 272.383 3.052 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000076000840 287030672 /nfs/dbraw/zinc/03/06/72/287030672.db2.gz LPNZPVWBGAKGPZ-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C12CCCCC2 ZINC000087299161 165185872 /nfs/dbraw/zinc/18/58/72/165185872.db2.gz QBVKHEUXCIEQAQ-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1Cl ZINC000090468972 165235995 /nfs/dbraw/zinc/23/59/95/165235995.db2.gz XEGXUMWIIHOYCX-TYNCELHUSA-N 2 1 296.842 3.167 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Cl ZINC000090468972 165235996 /nfs/dbraw/zinc/23/59/96/165235996.db2.gz XEGXUMWIIHOYCX-TYNCELHUSA-N 2 1 296.842 3.167 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000092165374 165283762 /nfs/dbraw/zinc/28/37/62/165283762.db2.gz GMRMVIDGHSEIJJ-HNNXBMFYSA-N 2 1 250.430 3.149 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CC=CCC1 ZINC000093659928 165336417 /nfs/dbraw/zinc/33/64/17/165336417.db2.gz PIYWDKANDVVIIP-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CC=CCC1 ZINC000093659928 165336419 /nfs/dbraw/zinc/33/64/19/165336419.db2.gz PIYWDKANDVVIIP-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CC=CCC1 ZINC000093659928 165336424 /nfs/dbraw/zinc/33/64/24/165336424.db2.gz PIYWDKANDVVIIP-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)CC(C)(C)C[NH3+] ZINC000093861202 165341052 /nfs/dbraw/zinc/34/10/52/165341052.db2.gz ZPJRBRBCJUTNDM-UHFFFAOYSA-N 2 1 256.393 3.257 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@H]12 ZINC000118972065 287162722 /nfs/dbraw/zinc/16/27/22/287162722.db2.gz OESZVQSVCZOOCM-ZACQAIPSSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459799284 287219656 /nfs/dbraw/zinc/21/96/56/287219656.db2.gz YRPWGQVWFPQPPH-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2C)C2CC2)C1 ZINC000284540586 196080921 /nfs/dbraw/zinc/08/09/21/196080921.db2.gz XLZCQFZUODSKFE-QFBILLFUSA-N 2 1 286.463 3.248 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000020189253 171054256 /nfs/dbraw/zinc/05/42/56/171054256.db2.gz GTKBYLWBFCMKOC-LBPRGKRZSA-N 2 1 282.378 3.488 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([NH3+])CC1 ZINC000020521459 171235024 /nfs/dbraw/zinc/23/50/24/171235024.db2.gz GTEQPNFVORADGZ-CQSZACIVSA-N 2 1 252.789 3.214 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(OC)c2)CC1 ZINC000037149928 172986113 /nfs/dbraw/zinc/98/61/13/172986113.db2.gz WMXQZHBJACREBR-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccco1)C[NH+]1CCCCC1 ZINC000038041778 174042930 /nfs/dbraw/zinc/04/29/30/174042930.db2.gz LIRXHUIHAYIRMG-KBPBESRZSA-N 2 1 250.386 3.052 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086962 174098916 /nfs/dbraw/zinc/09/89/16/174098916.db2.gz SSPFFRGLLGNUGL-CQSZACIVSA-N 2 1 254.377 3.196 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[NH2+]CC1 ZINC000038086962 174098917 /nfs/dbraw/zinc/09/89/17/174098917.db2.gz SSPFFRGLLGNUGL-CQSZACIVSA-N 2 1 254.377 3.196 20 0 CGADMP CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000040492325 174292737 /nfs/dbraw/zinc/29/27/37/174292737.db2.gz PTCHGIBZRVWVOZ-UHFFFAOYSA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@](C)([NH2+]CCCCn1cc[nH+]c1C)c1nccs1 ZINC000129011153 287322532 /nfs/dbraw/zinc/32/25/32/287322532.db2.gz DQNQYUMVYMUPKE-HNNXBMFYSA-N 2 1 292.452 3.343 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402872440 416548244 /nfs/dbraw/zinc/54/82/44/416548244.db2.gz ZVLOISLXPRPJGN-RBOXIYTFSA-N 2 1 280.362 3.087 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402872440 416548246 /nfs/dbraw/zinc/54/82/46/416548246.db2.gz ZVLOISLXPRPJGN-RBOXIYTFSA-N 2 1 280.362 3.087 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402878164 416548463 /nfs/dbraw/zinc/54/84/63/416548463.db2.gz DEEPPENEKSXXMA-NOLJZWGESA-N 2 1 278.827 3.462 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)[C@H]1CC[NH3+] ZINC000404360258 416552744 /nfs/dbraw/zinc/55/27/44/416552744.db2.gz DWTVWXCJMWCRKX-PBHICJAKSA-N 2 1 283.419 3.184 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OC(C)C)c2)CC[C@@H]1[NH3+] ZINC000122395483 416503340 /nfs/dbraw/zinc/50/33/40/416503340.db2.gz QUNRGQQEYNIVMO-WBVHZDCISA-N 2 1 276.424 3.033 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2C)CC1 ZINC000179948802 260081662 /nfs/dbraw/zinc/08/16/62/260081662.db2.gz FZJPEAGMXLMFNX-UHFFFAOYSA-N 2 1 278.415 3.440 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2C)CC1 ZINC000179948802 260081664 /nfs/dbraw/zinc/08/16/64/260081664.db2.gz FZJPEAGMXLMFNX-UHFFFAOYSA-N 2 1 278.415 3.440 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000130067440 287344349 /nfs/dbraw/zinc/34/43/49/287344349.db2.gz IPONRQGHMLYMMQ-HZMBPMFUSA-N 2 1 287.234 3.423 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000681366339 543784206 /nfs/dbraw/zinc/78/42/06/543784206.db2.gz PAUSNUIPRHKEQF-GVDBMIGSSA-N 2 1 264.457 3.299 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000681090712 543764805 /nfs/dbraw/zinc/76/48/05/543764805.db2.gz PVNBGGYGUSSOHD-JXQTWKCFSA-N 2 1 274.399 3.274 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000681090712 543764806 /nfs/dbraw/zinc/76/48/06/543764806.db2.gz PVNBGGYGUSSOHD-JXQTWKCFSA-N 2 1 274.399 3.274 20 0 CGADMP CC[NH+](CC)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000682500395 543849019 /nfs/dbraw/zinc/84/90/19/543849019.db2.gz SNIPTEZQNVOYIL-MAUKXSAKSA-N 2 1 289.467 3.423 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3cnccc3c2)CC1 ZINC000683824611 543944168 /nfs/dbraw/zinc/94/41/68/543944168.db2.gz AMFHKLQUWHUDNE-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3cnccc3c2)CC1 ZINC000683824611 543944171 /nfs/dbraw/zinc/94/41/71/543944171.db2.gz AMFHKLQUWHUDNE-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000684373106 543987885 /nfs/dbraw/zinc/98/78/85/543987885.db2.gz RUVXJOPRAIJHOW-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000684373106 543987887 /nfs/dbraw/zinc/98/78/87/543987887.db2.gz RUVXJOPRAIJHOW-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CCN(CCC[NH+](CC)CC)Cc1[nH]nc2ccccc21 ZINC000685459568 544073017 /nfs/dbraw/zinc/07/30/17/544073017.db2.gz BHVSEIPCBSNQRM-UHFFFAOYSA-N 2 1 288.439 3.117 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000685626116 544090351 /nfs/dbraw/zinc/09/03/51/544090351.db2.gz AGQZECQORYMRIC-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000685626116 544090354 /nfs/dbraw/zinc/09/03/54/544090354.db2.gz AGQZECQORYMRIC-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000685632898 544090723 /nfs/dbraw/zinc/09/07/23/544090723.db2.gz LUSPCQSRAUOHMS-HZPDHXFCSA-N 2 1 290.451 3.263 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000685632898 544090726 /nfs/dbraw/zinc/09/07/26/544090726.db2.gz LUSPCQSRAUOHMS-HZPDHXFCSA-N 2 1 290.451 3.263 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000685634132 544091025 /nfs/dbraw/zinc/09/10/25/544091025.db2.gz LUSPCQSRAUOHMS-JKSUJKDBSA-N 2 1 290.451 3.263 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000685634132 544091027 /nfs/dbraw/zinc/09/10/27/544091027.db2.gz LUSPCQSRAUOHMS-JKSUJKDBSA-N 2 1 290.451 3.263 20 0 CGADMP CC[N@@H+](CCCN[C@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000650741307 418936065 /nfs/dbraw/zinc/93/60/65/418936065.db2.gz APQVHZDSPKYSJN-WMZOPIPTSA-N 2 1 295.515 3.138 20 0 CGADMP CC[N@H+](CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000650741307 418936068 /nfs/dbraw/zinc/93/60/68/418936068.db2.gz APQVHZDSPKYSJN-WMZOPIPTSA-N 3 1 295.515 3.138 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000650741307 418936070 /nfs/dbraw/zinc/93/60/70/418936070.db2.gz APQVHZDSPKYSJN-WMZOPIPTSA-N 3 1 295.515 3.138 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cccs1 ZINC000652220756 418936866 /nfs/dbraw/zinc/93/68/66/418936866.db2.gz IPKXCUOCCREYPI-ZDUSSCGKSA-N 2 1 254.443 3.377 20 0 CGADMP CC[N@@H+](CCCN[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237352 418939669 /nfs/dbraw/zinc/93/96/69/418939669.db2.gz NCTSZHPGSSAYFC-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CCCN[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237352 418939673 /nfs/dbraw/zinc/93/96/73/418939673.db2.gz NCTSZHPGSSAYFC-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237352 418939675 /nfs/dbraw/zinc/93/96/75/418939675.db2.gz NCTSZHPGSSAYFC-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1cn[nH]c1)C1CCCCC1 ZINC000652237806 418940526 /nfs/dbraw/zinc/94/05/26/418940526.db2.gz FQUIFOZYDNLKJI-AWEZNQCLSA-N 2 1 278.444 3.105 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1cn[nH]c1)C1CCCCC1 ZINC000652237806 418940529 /nfs/dbraw/zinc/94/05/29/418940529.db2.gz FQUIFOZYDNLKJI-AWEZNQCLSA-N 2 1 278.444 3.105 20 0 CGADMP c1c2c(oc1-c1ccccc1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652353164 418955749 /nfs/dbraw/zinc/95/57/49/418955749.db2.gz KQBBEFSIQQXWPC-HNNXBMFYSA-N 2 1 296.414 3.304 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCCC(F)(F)F)[C@H]1CC[NH3+] ZINC000652356272 418956024 /nfs/dbraw/zinc/95/60/24/418956024.db2.gz ZEJZSPJGCYLMGG-RYUDHWBXSA-N 2 1 266.351 3.168 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000659876170 419025587 /nfs/dbraw/zinc/02/55/87/419025587.db2.gz CDFBPBFRRBMSKG-UHFFFAOYSA-N 2 1 291.439 3.104 20 0 CGADMP C[NH+](CC1CC=CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659972408 419050060 /nfs/dbraw/zinc/05/00/60/419050060.db2.gz UMFCUKQQJCJYJY-IBGZPJMESA-N 2 1 284.447 3.407 20 0 CGADMP CCCCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523004 419043013 /nfs/dbraw/zinc/04/30/13/419043013.db2.gz YYOREAQNVMHYOO-HZPDHXFCSA-N 2 1 296.455 3.064 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000653556049 419046449 /nfs/dbraw/zinc/04/64/49/419046449.db2.gz KVLVCILAMLOXAF-OAHLLOKOSA-N 2 1 290.451 3.202 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000653556049 419046451 /nfs/dbraw/zinc/04/64/51/419046451.db2.gz KVLVCILAMLOXAF-OAHLLOKOSA-N 2 1 290.451 3.202 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256639 419095575 /nfs/dbraw/zinc/09/55/75/419095575.db2.gz HXVONQGMDSJLNB-LTCOOKNTSA-N 2 1 290.451 3.165 20 0 CGADMP CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665258741 419095697 /nfs/dbraw/zinc/09/56/97/419095697.db2.gz KISNUFLBMYXFPP-XNRPHZJLSA-N 2 1 294.414 3.058 20 0 CGADMP c1csc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCCC2)c1 ZINC000665277998 419099311 /nfs/dbraw/zinc/09/93/11/419099311.db2.gz RTZQYOHFANEFAX-NRAUKZCXSA-N 2 1 276.449 3.321 20 0 CGADMP CC(C)[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000665278578 419099387 /nfs/dbraw/zinc/09/93/87/419099387.db2.gz IWXCIKJNARRJGW-DSSZZKGTSA-N 2 1 278.827 3.379 20 0 CGADMP Fc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCCC2)cc1 ZINC000665278570 419100339 /nfs/dbraw/zinc/10/03/39/419100339.db2.gz IKWHZKADZBEGIQ-VXVMZULRSA-N 2 1 288.410 3.399 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665275492 419100372 /nfs/dbraw/zinc/10/03/72/419100372.db2.gz LWNSWVISWWJPAH-RRFJBIMHSA-N 2 1 294.389 3.065 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000665297637 419110506 /nfs/dbraw/zinc/11/05/06/419110506.db2.gz JBTZWIQHZDSGAF-ZIAGYGMSSA-N 2 1 298.858 3.393 20 0 CGADMP C[C@@H]([NH2+]CC1CC=CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255413 419114049 /nfs/dbraw/zinc/11/40/49/419114049.db2.gz BUBLOYUXUYLGGN-GDBMZVCRSA-N 2 1 262.441 3.195 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000659983109 419051504 /nfs/dbraw/zinc/05/15/04/419051504.db2.gz DPFAXOUMTZTHOE-MGPQQGTHSA-N 2 1 276.415 3.472 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000659983109 419051505 /nfs/dbraw/zinc/05/15/05/419051505.db2.gz DPFAXOUMTZTHOE-MGPQQGTHSA-N 2 1 276.415 3.472 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000659983109 419051506 /nfs/dbraw/zinc/05/15/06/419051506.db2.gz DPFAXOUMTZTHOE-MGPQQGTHSA-N 2 1 276.415 3.472 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659983760 419055511 /nfs/dbraw/zinc/05/55/11/419055511.db2.gz UVTXFXOAOHQXAW-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCC(C)(C)C1CC1)CC2 ZINC000653596592 419058166 /nfs/dbraw/zinc/05/81/66/419058166.db2.gz ALZNERVMCCTWKR-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCC(C)(C)C1CC1)CC2 ZINC000653596592 419058167 /nfs/dbraw/zinc/05/81/67/419058167.db2.gz ALZNERVMCCTWKR-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[C@@H](CCC)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655721621 419077862 /nfs/dbraw/zinc/07/78/62/419077862.db2.gz QTIRUYZLXYBVAR-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)=CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660115173 419079730 /nfs/dbraw/zinc/07/97/30/419079730.db2.gz LRECEDCUQBKZDC-WBVHZDCISA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000660115173 419079732 /nfs/dbraw/zinc/07/97/32/419079732.db2.gz LRECEDCUQBKZDC-WBVHZDCISA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000660115173 419079735 /nfs/dbraw/zinc/07/97/35/419079735.db2.gz LRECEDCUQBKZDC-WBVHZDCISA-N 2 1 262.441 3.291 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660416704 419141201 /nfs/dbraw/zinc/14/12/01/419141201.db2.gz MOCPGXNABSFGAT-MUJYYYPQSA-N 2 1 275.440 3.204 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660416704 419141207 /nfs/dbraw/zinc/14/12/07/419141207.db2.gz MOCPGXNABSFGAT-MUJYYYPQSA-N 2 1 275.440 3.204 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2CC2CCCC2)CC[NH2+]C1 ZINC000656194952 419148502 /nfs/dbraw/zinc/14/85/02/419148502.db2.gz VIACUEICYZXSCG-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC000656200572 419150030 /nfs/dbraw/zinc/15/00/30/419150030.db2.gz RSMLIGSCGJQJHW-NWDGAFQWSA-N 2 1 264.800 3.189 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCc3ccccc31)C2 ZINC000660660661 419176059 /nfs/dbraw/zinc/17/60/59/419176059.db2.gz AJANNTWEIUNSLU-ROUUACIJSA-N 2 1 270.420 3.092 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCc3ccccc31)C2 ZINC000660660666 419176078 /nfs/dbraw/zinc/17/60/78/419176078.db2.gz AJANNTWEIUNSLU-ZWKOTPCHSA-N 2 1 270.420 3.092 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660661768 419178943 /nfs/dbraw/zinc/17/89/43/419178943.db2.gz GFMIZGBYPXAWMS-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660661768 419178945 /nfs/dbraw/zinc/17/89/45/419178945.db2.gz GFMIZGBYPXAWMS-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660661768 419178947 /nfs/dbraw/zinc/17/89/47/419178947.db2.gz GFMIZGBYPXAWMS-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665895 419179156 /nfs/dbraw/zinc/17/91/56/419179156.db2.gz YXEGWIOLUJLMKQ-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665895 419179158 /nfs/dbraw/zinc/17/91/58/419179158.db2.gz YXEGWIOLUJLMKQ-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665895 419179161 /nfs/dbraw/zinc/17/91/61/419179161.db2.gz YXEGWIOLUJLMKQ-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCc3ccccc3C1)C2 ZINC000660662408 419179790 /nfs/dbraw/zinc/17/97/90/419179790.db2.gz JWELRCOKVGCRNE-XLIONFOSSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCc3ccccc3C1)C2 ZINC000660662408 419179792 /nfs/dbraw/zinc/17/97/92/419179792.db2.gz JWELRCOKVGCRNE-XLIONFOSSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCc3ccccc3C1)C2 ZINC000660662408 419179794 /nfs/dbraw/zinc/17/97/94/419179794.db2.gz JWELRCOKVGCRNE-XLIONFOSSA-N 2 1 298.474 3.209 20 0 CGADMP CCc1ccccc1CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661786 419180002 /nfs/dbraw/zinc/18/00/02/419180002.db2.gz GQLAKYSNZMQBBJ-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccccc1CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661786 419180003 /nfs/dbraw/zinc/18/00/03/419180003.db2.gz GQLAKYSNZMQBBJ-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccccc1CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661786 419180005 /nfs/dbraw/zinc/18/00/05/419180005.db2.gz GQLAKYSNZMQBBJ-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000666083550 419188041 /nfs/dbraw/zinc/18/80/41/419188041.db2.gz ODGBEAWXXMXRLS-PBHICJAKSA-N 2 1 292.854 3.127 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)[C@H]1CC1(C)C ZINC000666093463 419189142 /nfs/dbraw/zinc/18/91/42/419189142.db2.gz GTPZEXKUDHFPOI-IAGOWNOFSA-N 2 1 296.499 3.290 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000655938048 419128296 /nfs/dbraw/zinc/12/82/96/419128296.db2.gz KQJYODJPTAOJLX-HOCLYGCPSA-N 2 1 290.451 3.378 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)cc21 ZINC000657334557 419252744 /nfs/dbraw/zinc/25/27/44/419252744.db2.gz CWWUVKNTAOFRIU-OAHLLOKOSA-N 2 1 285.435 3.296 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657337045 419253987 /nfs/dbraw/zinc/25/39/87/419253987.db2.gz GJKUTDJGZWFAAU-ZDUSSCGKSA-N 2 1 289.448 3.118 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000656787924 419219107 /nfs/dbraw/zinc/21/91/07/419219107.db2.gz ZIESCJMIEXEJTI-GOSISDBHSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000656787924 419219110 /nfs/dbraw/zinc/21/91/10/419219110.db2.gz ZIESCJMIEXEJTI-GOSISDBHSA-N 2 1 272.436 3.168 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1F ZINC000656787012 419219327 /nfs/dbraw/zinc/21/93/27/419219327.db2.gz ZLGQKGNCPKUZHQ-QGZVFWFLSA-N 2 1 290.426 3.346 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000656787922 419219691 /nfs/dbraw/zinc/21/96/91/419219691.db2.gz ZFPCGDNVBSSMIB-OAHLLOKOSA-N 2 1 272.436 3.168 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656785980 419219961 /nfs/dbraw/zinc/21/99/61/419219961.db2.gz OTAKFYASPFSQFX-KRWDZBQOSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788692 419220844 /nfs/dbraw/zinc/22/08/44/419220844.db2.gz WZFSPFWJUQZJFT-UHFFFAOYSA-N 2 1 258.365 3.102 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000657182741 419230135 /nfs/dbraw/zinc/23/01/35/419230135.db2.gz NATQZCVCNKURFX-UONOGXRCSA-N 2 1 266.454 3.001 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657492412 419292772 /nfs/dbraw/zinc/29/27/72/419292772.db2.gz VZRHSLJYSAKDAT-ZDUSSCGKSA-N 2 1 289.448 3.118 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000657753466 419337423 /nfs/dbraw/zinc/33/74/23/419337423.db2.gz WKLCCWQFUXMVKD-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1CC1CCC1)[C@@H]1CC[NH2+]C1 ZINC000662320633 419389501 /nfs/dbraw/zinc/38/95/01/419389501.db2.gz VQCVDKYBUBRXCT-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC000657864012 419393389 /nfs/dbraw/zinc/39/33/89/419393389.db2.gz MZUQTMVIJZETQH-HNNXBMFYSA-N 2 1 297.446 3.291 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000657876811 419399580 /nfs/dbraw/zinc/39/95/80/419399580.db2.gz NQYAKWNVVPNCNG-OLZOCXBDSA-N 2 1 289.448 3.289 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2ccncc2s1 ZINC000657876811 419399585 /nfs/dbraw/zinc/39/95/85/419399585.db2.gz NQYAKWNVVPNCNG-OLZOCXBDSA-N 2 1 289.448 3.289 20 0 CGADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887174 419406618 /nfs/dbraw/zinc/40/66/18/419406618.db2.gz FMMKYPCHJAAWCS-GVXVVHGQSA-N 2 1 283.366 3.153 20 0 CGADMP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887174 419406629 /nfs/dbraw/zinc/40/66/29/419406629.db2.gz FMMKYPCHJAAWCS-GVXVVHGQSA-N 2 1 283.366 3.153 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662266776 419377501 /nfs/dbraw/zinc/37/75/01/419377501.db2.gz OXDVKAHEEIJZJF-NWDGAFQWSA-N 2 1 284.856 3.101 20 0 CGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657829754 419377755 /nfs/dbraw/zinc/37/77/55/419377755.db2.gz HNCFBXFXTOQTRB-PMPSAXMXSA-N 2 1 262.441 3.028 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000662273536 419382255 /nfs/dbraw/zinc/38/22/55/419382255.db2.gz OCAXNJCCVNYJHB-HDICACEKSA-N 2 1 272.436 3.241 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274682 419382788 /nfs/dbraw/zinc/38/27/88/419382788.db2.gz WBQCJVPUBXZHDE-SJORKVTESA-N 2 1 264.457 3.278 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662295720 419385244 /nfs/dbraw/zinc/38/52/44/419385244.db2.gz WQILUUVDATVXAT-KRWDZBQOSA-N 2 1 292.492 3.392 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294147 419385313 /nfs/dbraw/zinc/38/53/13/419385313.db2.gz BIHGLDGGRQAOSB-IBGZPJMESA-N 2 1 286.463 3.331 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657844864 419385925 /nfs/dbraw/zinc/38/59/25/419385925.db2.gz KOTNRELJIJFPJS-XUWVNRHRSA-N 2 1 264.457 3.133 20 0 CGADMP Fc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346686 419569027 /nfs/dbraw/zinc/56/90/27/419569027.db2.gz MTCNCJOBIGSYCX-HNNXBMFYSA-N 2 1 276.399 3.037 20 0 CGADMP Fc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346686 419569038 /nfs/dbraw/zinc/56/90/38/419569038.db2.gz MTCNCJOBIGSYCX-HNNXBMFYSA-N 2 1 276.399 3.037 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCCSCC1 ZINC000658025387 419503060 /nfs/dbraw/zinc/50/30/60/419503060.db2.gz AZAOKTNYRUVBOW-HOTGVXAUSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)F)nc1 ZINC000658028764 419505114 /nfs/dbraw/zinc/50/51/14/419505114.db2.gz FNEXAEPJOIZAHO-HLVVYCRESA-N 2 1 295.377 3.295 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)F)nc1 ZINC000658028764 419505122 /nfs/dbraw/zinc/50/51/22/419505122.db2.gz FNEXAEPJOIZAHO-HLVVYCRESA-N 2 1 295.377 3.295 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000658036854 419515394 /nfs/dbraw/zinc/51/53/94/419515394.db2.gz ZCBVANWKYNJBCO-UONOGXRCSA-N 2 1 287.407 3.210 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663395181 419590086 /nfs/dbraw/zinc/59/00/86/419590086.db2.gz DHBUERXTMJJGHV-ZNMIVQPWSA-N 2 1 298.434 3.405 20 0 CGADMP C[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)C1 ZINC000658128973 419606844 /nfs/dbraw/zinc/60/68/44/419606844.db2.gz YZJVMOIBSQRMQY-NPJQDHAYSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1nc([C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466518 419621885 /nfs/dbraw/zinc/62/18/85/419621885.db2.gz UYZDFPFYECXCQC-DOMZBBRYSA-N 2 1 293.480 3.224 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000663470672 419627785 /nfs/dbraw/zinc/62/77/85/419627785.db2.gz WGMXPNVBUCNNHC-UKRRQHHQSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229272 419689835 /nfs/dbraw/zinc/68/98/35/419689835.db2.gz PZIVWKGPRGTPBI-FMKPAKJESA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229272 419689845 /nfs/dbraw/zinc/68/98/45/419689845.db2.gz PZIVWKGPRGTPBI-FMKPAKJESA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000223224736 260285075 /nfs/dbraw/zinc/28/50/75/260285075.db2.gz YNNZRHIKLBSZKB-SLTXQBBLSA-N 2 1 252.446 3.131 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000394491534 261087394 /nfs/dbraw/zinc/08/73/94/261087394.db2.gz CLPJXDCVPOOVNZ-GFCCVEGCSA-N 2 1 252.427 3.191 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221830078 262301457 /nfs/dbraw/zinc/30/14/57/262301457.db2.gz HABHHZHMNUYQQK-ZNMIVQPWSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221830078 262301458 /nfs/dbraw/zinc/30/14/58/262301458.db2.gz HABHHZHMNUYQQK-ZNMIVQPWSA-N 2 1 276.424 3.137 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000036907995 270028606 /nfs/dbraw/zinc/02/86/06/270028606.db2.gz UKEUGKKNKDGJMS-FMKPAKJESA-N 2 1 250.430 3.195 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534861 270035976 /nfs/dbraw/zinc/03/59/76/270035976.db2.gz UCLRVEMIQPUHJP-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000044534794 270036877 /nfs/dbraw/zinc/03/68/77/270036877.db2.gz XTCPCHMAHPULNG-UKRRQHHQSA-N 2 1 276.449 3.155 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000011888895 265308728 /nfs/dbraw/zinc/30/87/28/265308728.db2.gz ASZXNXCYCUTSOH-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000184281703 270057900 /nfs/dbraw/zinc/05/79/00/270057900.db2.gz DWRZDTWBDHTFHZ-IXDOHACOSA-N 2 1 289.467 3.409 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000184281703 270057901 /nfs/dbraw/zinc/05/79/01/270057901.db2.gz DWRZDTWBDHTFHZ-IXDOHACOSA-N 2 1 289.467 3.409 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000218421338 270085382 /nfs/dbraw/zinc/08/53/82/270085382.db2.gz DNPHTEBJROYAFR-YIDVYQOGSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C(C)C)C1 ZINC000250336185 270091273 /nfs/dbraw/zinc/09/12/73/270091273.db2.gz PDUJPVQXNZBQLY-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252103499 270091474 /nfs/dbraw/zinc/09/14/74/270091474.db2.gz GQJVWERTCQMYNO-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000521257566 270101379 /nfs/dbraw/zinc/10/13/79/270101379.db2.gz MHERPHXDSYWVPA-NUEKZKHPSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000521257566 270101380 /nfs/dbraw/zinc/10/13/80/270101380.db2.gz MHERPHXDSYWVPA-NUEKZKHPSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527861563 270140210 /nfs/dbraw/zinc/14/02/10/270140210.db2.gz LWOZIPVJSSSWAW-ZBEGNZNMSA-N 2 1 296.817 3.398 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000527978613 270147948 /nfs/dbraw/zinc/14/79/48/270147948.db2.gz DGHTZLONZCWDDS-JYJNAYRXSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529546100 270183696 /nfs/dbraw/zinc/18/36/96/270183696.db2.gz UDTHYCZIZVUNLR-KBPBESRZSA-N 2 1 288.426 3.378 20 0 CGADMP C[C@@H](C[N@@H+](C)CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000530235552 270197125 /nfs/dbraw/zinc/19/71/25/270197125.db2.gz ZLBNHQYSANUVDT-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000530901627 270203623 /nfs/dbraw/zinc/20/36/23/270203623.db2.gz NNJIBWWQDSRTJC-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCCCC2)C[C@H]1C ZINC000530905576 270203707 /nfs/dbraw/zinc/20/37/07/270203707.db2.gz JLCSEXQSHPTCHD-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCCCC2)C[C@H]1C ZINC000530905576 270203708 /nfs/dbraw/zinc/20/37/08/270203708.db2.gz JLCSEXQSHPTCHD-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCCCC2)C[C@H]1C ZINC000530905576 270203709 /nfs/dbraw/zinc/20/37/09/270203709.db2.gz JLCSEXQSHPTCHD-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CC1 ZINC000531692600 270208949 /nfs/dbraw/zinc/20/89/49/270208949.db2.gz JRRYUHDCXOSMFY-HNNXBMFYSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1Cl ZINC000531962218 270211691 /nfs/dbraw/zinc/21/16/91/270211691.db2.gz ALHKXSYLZWXTQQ-RYUDHWBXSA-N 2 1 284.831 3.339 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000532299711 270214903 /nfs/dbraw/zinc/21/49/03/270214903.db2.gz VPDWLVIWVIDQTN-LBPRGKRZSA-N 2 1 275.421 3.439 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000532299711 270214904 /nfs/dbraw/zinc/21/49/04/270214904.db2.gz VPDWLVIWVIDQTN-LBPRGKRZSA-N 2 1 275.421 3.439 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1nccc2ccccc21 ZINC000353423017 274249036 /nfs/dbraw/zinc/24/90/36/274249036.db2.gz CKXWNJCFKVJCCJ-CABCVRRESA-N 2 1 295.430 3.370 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423135466 274264516 /nfs/dbraw/zinc/26/45/16/274264516.db2.gz UBELIIYYWXFAFP-UXIGCNINSA-N 2 1 285.366 3.230 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423096593 274308284 /nfs/dbraw/zinc/30/82/84/274308284.db2.gz PNBBLDKNYWVOAB-UIBBOPPKSA-N 2 1 278.827 3.174 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000252709227 274335829 /nfs/dbraw/zinc/33/58/29/274335829.db2.gz CIXKQOKLYUTQRJ-QGPMSJSTSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000090581512 274339264 /nfs/dbraw/zinc/33/92/64/274339264.db2.gz HSEGUCGOOUVENW-SOLBZPMBSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217963 274393302 /nfs/dbraw/zinc/39/33/02/274393302.db2.gz TXTVBBQPCVDNQM-ISTRZQFTSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217963 274393303 /nfs/dbraw/zinc/39/33/03/274393303.db2.gz TXTVBBQPCVDNQM-ISTRZQFTSA-N 2 1 276.399 3.275 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]C1CC[NH2+]CC1 ZINC000335569566 275069234 /nfs/dbraw/zinc/06/92/34/275069234.db2.gz RFKJNXJZWQWYDP-UHFFFAOYSA-N 2 1 264.372 3.098 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000513100064 276012093 /nfs/dbraw/zinc/01/20/93/276012093.db2.gz FYLVMQZUIZECSF-MLHJIOFPSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000513100064 276012095 /nfs/dbraw/zinc/01/20/95/276012095.db2.gz FYLVMQZUIZECSF-MLHJIOFPSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414956896 276042522 /nfs/dbraw/zinc/04/25/22/276042522.db2.gz QHNKPEKKVDFOKX-OIISXLGYSA-N 2 1 260.425 3.128 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000291057128 276106376 /nfs/dbraw/zinc/10/63/76/276106376.db2.gz CRGOOTFARISCCW-CGTJXYLNSA-N 2 1 272.436 3.206 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296164493 276152208 /nfs/dbraw/zinc/15/22/08/276152208.db2.gz XJPRRAPBNGNCAU-AWEZNQCLSA-N 2 1 293.842 3.186 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)[C@@H](C)C1 ZINC000414180496 276229234 /nfs/dbraw/zinc/22/92/34/276229234.db2.gz BHMFNXNUDGJPTN-LLLHUVSDSA-N 2 1 264.457 3.133 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423372399 276270987 /nfs/dbraw/zinc/27/09/87/276270987.db2.gz GFORBJCQVBKQOB-KBMXLJTQSA-N 2 1 260.425 3.156 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351694984 276399868 /nfs/dbraw/zinc/39/98/68/276399868.db2.gz VSPMAQZNZIFFDX-HOTGVXAUSA-N 2 1 284.513 3.468 20 0 CGADMP CCS[C@H]1CCCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351694984 276399869 /nfs/dbraw/zinc/39/98/69/276399869.db2.gz VSPMAQZNZIFFDX-HOTGVXAUSA-N 2 1 284.513 3.468 20 0 CGADMP CCS[C@H]1CCCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351694984 276399872 /nfs/dbraw/zinc/39/98/72/276399872.db2.gz VSPMAQZNZIFFDX-HOTGVXAUSA-N 2 1 284.513 3.468 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000462105620 276888067 /nfs/dbraw/zinc/88/80/67/276888067.db2.gz PMFUSCZQZZEHEM-DGCLKSJQSA-N 2 1 278.362 3.039 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459789151 277053107 /nfs/dbraw/zinc/05/31/07/277053107.db2.gz QEZDWQGZENEHAJ-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC(F)(F)CC3)CC[C@@H]21 ZINC000334785838 277068379 /nfs/dbraw/zinc/06/83/79/277068379.db2.gz DAKJMKKYADVFRO-CABCVRRESA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)CC[C@@H]21 ZINC000334785838 277068380 /nfs/dbraw/zinc/06/83/80/277068380.db2.gz DAKJMKKYADVFRO-CABCVRRESA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@@H]21 ZINC000334785838 277068381 /nfs/dbraw/zinc/06/83/81/277068381.db2.gz DAKJMKKYADVFRO-CABCVRRESA-N 2 1 286.410 3.228 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000334624594 277086708 /nfs/dbraw/zinc/08/67/08/277086708.db2.gz LBFAQOLPVCFNJU-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000334624594 277086709 /nfs/dbraw/zinc/08/67/09/277086709.db2.gz LBFAQOLPVCFNJU-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000334624594 277086711 /nfs/dbraw/zinc/08/67/11/277086711.db2.gz LBFAQOLPVCFNJU-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000339426921 277086782 /nfs/dbraw/zinc/08/67/82/277086782.db2.gz BTXKDKLPOXVAQO-QYZOEREBSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000339426921 277086783 /nfs/dbraw/zinc/08/67/83/277086783.db2.gz BTXKDKLPOXVAQO-QYZOEREBSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000339426921 277086784 /nfs/dbraw/zinc/08/67/84/277086784.db2.gz BTXKDKLPOXVAQO-QYZOEREBSA-N 2 1 284.447 3.208 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000339848465 277156023 /nfs/dbraw/zinc/15/60/23/277156023.db2.gz UKNBGZUSSIQVOB-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000339848465 277156024 /nfs/dbraw/zinc/15/60/24/277156024.db2.gz UKNBGZUSSIQVOB-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000339848465 277156025 /nfs/dbraw/zinc/15/60/25/277156025.db2.gz UKNBGZUSSIQVOB-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000339848465 277156026 /nfs/dbraw/zinc/15/60/26/277156026.db2.gz UKNBGZUSSIQVOB-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP CC(C)(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000328458517 277297509 /nfs/dbraw/zinc/29/75/09/277297509.db2.gz SSCCYYOUHOOCNF-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346998993 277367201 /nfs/dbraw/zinc/36/72/01/277367201.db2.gz YDCHBQKBANWORN-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000358337934 277387458 /nfs/dbraw/zinc/38/74/58/277387458.db2.gz GCLOZMGVWKTBCI-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000358337934 277387459 /nfs/dbraw/zinc/38/74/59/277387459.db2.gz GCLOZMGVWKTBCI-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC000377836729 277986848 /nfs/dbraw/zinc/98/68/48/277986848.db2.gz FBYYPLVJAGHHJQ-HZSPNIEDSA-N 2 1 261.413 3.002 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1C[NH3+] ZINC000422565747 278006189 /nfs/dbraw/zinc/00/61/89/278006189.db2.gz ZYUHKNMVWXTUHT-DYEKYZERSA-N 2 1 298.377 3.093 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCC12CCC2)C1CCCC1 ZINC000394839722 288004267 /nfs/dbraw/zinc/00/42/67/288004267.db2.gz YJVAEANQBRDLGE-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC12CCC2)C1CCCC1 ZINC000394839722 288004268 /nfs/dbraw/zinc/00/42/68/288004268.db2.gz YJVAEANQBRDLGE-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516758253 278026119 /nfs/dbraw/zinc/02/61/19/278026119.db2.gz WRHRGPYAHRBTMC-CPUCHLNUSA-N 2 1 288.435 3.145 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516758253 278026121 /nfs/dbraw/zinc/02/61/21/278026121.db2.gz WRHRGPYAHRBTMC-CPUCHLNUSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000423323631 278184480 /nfs/dbraw/zinc/18/44/80/278184480.db2.gz JWXYIHJTSDCIQU-RHSMWYFYSA-N 2 1 260.425 3.115 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414742108 278219755 /nfs/dbraw/zinc/21/97/55/278219755.db2.gz NEYQWHZIIIEETL-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000397353293 288023085 /nfs/dbraw/zinc/02/30/85/288023085.db2.gz VFQGZJAQWGDIGG-YRGRVCCFSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000397305239 288023102 /nfs/dbraw/zinc/02/31/02/288023102.db2.gz MGSWLPIRSAXRBO-VWYCJHECSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000397305239 288023103 /nfs/dbraw/zinc/02/31/03/288023103.db2.gz MGSWLPIRSAXRBO-VWYCJHECSA-N 2 1 272.845 3.207 20 0 CGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000423394269 278223585 /nfs/dbraw/zinc/22/35/85/278223585.db2.gz RXKLAHIHGIPQFZ-AWEZNQCLSA-N 2 1 250.430 3.077 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c2ccccc2n1 ZINC000397432809 288023787 /nfs/dbraw/zinc/02/37/87/288023787.db2.gz FOQGWAKFFUDORN-QRTARXTBSA-N 2 1 297.446 3.348 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423406591 278250658 /nfs/dbraw/zinc/25/06/58/278250658.db2.gz UWOSEYZZUSOWJV-NJZAAPMLSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000296534840 278283272 /nfs/dbraw/zinc/28/32/72/278283272.db2.gz SWDSOJPTIWVATP-STQMWFEESA-N 2 1 294.389 3.142 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1OC ZINC000424380336 288066895 /nfs/dbraw/zinc/06/68/95/288066895.db2.gz WVPMLPTYXVTUMG-QLFBSQMISA-N 2 1 262.397 3.006 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358391622 279014626 /nfs/dbraw/zinc/01/46/26/279014626.db2.gz FEDJLCDZROIRDF-PZNPJNSTSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358391622 279014627 /nfs/dbraw/zinc/01/46/27/279014627.db2.gz FEDJLCDZROIRDF-PZNPJNSTSA-N 2 1 276.399 3.131 20 0 CGADMP CC[NH+](CC)CCCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338270957 279094739 /nfs/dbraw/zinc/09/47/39/279094739.db2.gz PJVFSIXHKLFCSD-FGTMMUONSA-N 2 1 295.515 3.056 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459745895 288100785 /nfs/dbraw/zinc/10/07/85/288100785.db2.gz YTEJAHZTWBHAAF-BBLCHGJFSA-N 2 1 272.436 3.411 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228074626 288152948 /nfs/dbraw/zinc/15/29/48/288152948.db2.gz SEBPWTQTJNZIMN-YWPYICTPSA-N 2 1 266.816 3.460 20 0 CGADMP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(C)s1 ZINC000527249951 288161382 /nfs/dbraw/zinc/16/13/82/288161382.db2.gz OYIGNYQFFZSILA-UHFFFAOYSA-N 2 1 278.465 3.471 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccsc1C(F)(F)F ZINC000527649411 288181994 /nfs/dbraw/zinc/18/19/94/288181994.db2.gz GLVWAKXUVVMOQB-UHFFFAOYSA-N 2 1 289.326 3.062 20 0 CGADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516651666 280121058 /nfs/dbraw/zinc/12/10/58/280121058.db2.gz CIUQODMAUNBSIG-ZDUSSCGKSA-N 2 1 276.399 3.135 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000181844463 280188239 /nfs/dbraw/zinc/18/82/39/280188239.db2.gz ZZRABSRIHXAALL-NVXWUHKLSA-N 2 1 276.424 3.220 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000401492018 280262016 /nfs/dbraw/zinc/26/20/16/280262016.db2.gz YSHVORCGDGALQE-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000427690151 280270291 /nfs/dbraw/zinc/27/02/91/280270291.db2.gz MBYRSOAOSATYBZ-NXHRZFHOSA-N 2 1 274.452 3.326 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000427690151 280270292 /nfs/dbraw/zinc/27/02/92/280270292.db2.gz MBYRSOAOSATYBZ-NXHRZFHOSA-N 2 1 274.452 3.326 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000430696700 280328784 /nfs/dbraw/zinc/32/87/84/280328784.db2.gz QZWZSAYPHCRAOZ-VBQJREDUSA-N 2 1 264.457 3.418 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529522657 288257117 /nfs/dbraw/zinc/25/71/17/288257117.db2.gz XKNPOJOTWZKTRL-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529522657 288257121 /nfs/dbraw/zinc/25/71/21/288257121.db2.gz XKNPOJOTWZKTRL-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](CC)CC)[C@H]1CCOC1 ZINC000480535208 280943895 /nfs/dbraw/zinc/94/38/95/280943895.db2.gz ZCALLODOXMSOEJ-ULQDDVLXSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000119705210 281090716 /nfs/dbraw/zinc/09/07/16/281090716.db2.gz RVEQEEMDLCHHKD-SFHVURJKSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1ccccc1[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000271323418 281366361 /nfs/dbraw/zinc/36/63/61/281366361.db2.gz UEIWXTNLEFFOEM-SJORKVTESA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000271323418 281366362 /nfs/dbraw/zinc/36/63/62/281366362.db2.gz UEIWXTNLEFFOEM-SJORKVTESA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000271323418 281366363 /nfs/dbraw/zinc/36/63/63/281366363.db2.gz UEIWXTNLEFFOEM-SJORKVTESA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101303 288329385 /nfs/dbraw/zinc/32/93/85/288329385.db2.gz DBSZQBJSIFEQCG-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000531101303 288329386 /nfs/dbraw/zinc/32/93/86/288329386.db2.gz DBSZQBJSIFEQCG-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000531101303 288329387 /nfs/dbraw/zinc/32/93/87/288329387.db2.gz DBSZQBJSIFEQCG-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](CC)C1CCOCC1)[NH+](C)C ZINC000532458660 288362197 /nfs/dbraw/zinc/36/21/97/288362197.db2.gz IUFZSCWKTXJHSN-SJORKVTESA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000552881084 289201411 /nfs/dbraw/zinc/20/14/11/289201411.db2.gz IAINJVOBXSBRSZ-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000552881084 289201412 /nfs/dbraw/zinc/20/14/12/289201412.db2.gz IAINJVOBXSBRSZ-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CCCC1 ZINC000554349874 289273483 /nfs/dbraw/zinc/27/34/83/289273483.db2.gz RKYPKNBEWAFVPU-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@@H](C)[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000561771506 289654206 /nfs/dbraw/zinc/65/42/06/289654206.db2.gz FRKKOGDCPGATER-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000358398904 290017291 /nfs/dbraw/zinc/01/72/91/290017291.db2.gz JWXAUTKQTZWOPG-SUKQMUEJSA-N 2 1 288.435 3.012 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000358398904 290017294 /nfs/dbraw/zinc/01/72/94/290017294.db2.gz JWXAUTKQTZWOPG-SUKQMUEJSA-N 2 1 288.435 3.012 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)[C@@H]2CCC[C@H]21 ZINC000513703136 290215794 /nfs/dbraw/zinc/21/57/94/290215794.db2.gz QVRSOSHMTLXBCJ-SOUVJXGZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235371064 290243993 /nfs/dbraw/zinc/24/39/93/290243993.db2.gz DOFWISBGVCADKA-XNJGSVPQSA-N 2 1 254.377 3.180 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235371064 290243997 /nfs/dbraw/zinc/24/39/97/290243997.db2.gz DOFWISBGVCADKA-XNJGSVPQSA-N 2 1 254.377 3.180 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252164232 290245141 /nfs/dbraw/zinc/24/51/41/290245141.db2.gz QFYJCFHAADKIMS-IJLUTSLNSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252164232 290245142 /nfs/dbraw/zinc/24/51/42/290245142.db2.gz QFYJCFHAADKIMS-IJLUTSLNSA-N 2 1 297.240 3.179 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415072340 295121854 /nfs/dbraw/zinc/12/18/54/295121854.db2.gz XWMJZXVICALDFR-KBXCAEBGSA-N 2 1 290.451 3.123 20 0 CGADMP [NH3+]CCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000414682893 295230286 /nfs/dbraw/zinc/23/02/86/295230286.db2.gz SGQIWFUNCYHRQL-AWEZNQCLSA-N 2 1 278.446 3.106 20 0 CGADMP [NH3+]CCC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000414682893 295230287 /nfs/dbraw/zinc/23/02/87/295230287.db2.gz SGQIWFUNCYHRQL-AWEZNQCLSA-N 2 1 278.446 3.106 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000422779720 295245775 /nfs/dbraw/zinc/24/57/75/295245775.db2.gz GKSXGSIFPWMUOJ-IAOVAPTHSA-N 2 1 276.424 3.122 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423365098 297110052 /nfs/dbraw/zinc/11/00/52/297110052.db2.gz CVGOZXQBWJIIFK-DFBGVHRSSA-N 2 1 294.826 3.141 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000346882020 297282696 /nfs/dbraw/zinc/28/26/96/297282696.db2.gz ADEVVLYEQNLSMR-WBVHZDCISA-N 2 1 272.436 3.224 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000346882020 297282698 /nfs/dbraw/zinc/28/26/98/297282698.db2.gz ADEVVLYEQNLSMR-WBVHZDCISA-N 2 1 272.436 3.224 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422718091 302136646 /nfs/dbraw/zinc/13/66/46/302136646.db2.gz WMIJQYSXUDHTGU-PVAVHDDUSA-N 2 1 260.425 3.422 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000125208910 302246846 /nfs/dbraw/zinc/24/68/46/302246846.db2.gz UGSSXOFGIYJQHX-HZPDHXFCSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000125208910 302246849 /nfs/dbraw/zinc/24/68/49/302246849.db2.gz UGSSXOFGIYJQHX-HZPDHXFCSA-N 2 1 275.440 3.161 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccccc1SCC ZINC000582600253 329113886 /nfs/dbraw/zinc/11/38/86/329113886.db2.gz IKNFPJJWCQPVQD-CYBMUJFWSA-N 2 1 266.454 3.449 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000563135942 321979527 /nfs/dbraw/zinc/97/95/27/321979527.db2.gz WACYLNGQJVOUTA-HTQZYQBOSA-N 2 1 279.186 3.348 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000563798603 322010654 /nfs/dbraw/zinc/01/06/54/322010654.db2.gz MHFGITWTNJYFBE-UHFFFAOYSA-N 2 1 292.442 3.420 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000564099557 322020484 /nfs/dbraw/zinc/02/04/84/322020484.db2.gz LIWKPTMSGQGLRI-SJORKVTESA-N 2 1 296.499 3.028 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000564823672 322044819 /nfs/dbraw/zinc/04/48/19/322044819.db2.gz SBZLZYMXUITOAU-CQSZACIVSA-N 2 1 276.424 3.316 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000565159546 322063424 /nfs/dbraw/zinc/06/34/24/322063424.db2.gz ZMKARLAUSIDKLN-OLZOCXBDSA-N 2 1 283.366 3.035 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)CC1 ZINC000565435397 322077775 /nfs/dbraw/zinc/07/77/75/322077775.db2.gz VEARPTPRDZOOPD-JKSUJKDBSA-N 2 1 250.430 3.291 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000565431629 322078031 /nfs/dbraw/zinc/07/80/31/322078031.db2.gz WDRSEWNQGVSXCS-UHFFFAOYSA-N 2 1 296.418 3.156 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC=C(c2ccccn2)C1 ZINC000565431629 322078032 /nfs/dbraw/zinc/07/80/32/322078032.db2.gz WDRSEWNQGVSXCS-UHFFFAOYSA-N 2 1 296.418 3.156 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000565950908 322097780 /nfs/dbraw/zinc/09/77/80/322097780.db2.gz MUSXJFHMKGWJJB-MSOLQXFVSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000566230279 322110338 /nfs/dbraw/zinc/11/03/38/322110338.db2.gz XTDFVMPEJOILLG-QWRGUYRKSA-N 2 1 293.411 3.165 20 0 CGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230452 322110737 /nfs/dbraw/zinc/11/07/37/322110737.db2.gz WQWSUPUNSQXIDZ-OAHLLOKOSA-N 2 1 298.352 3.281 20 0 CGADMP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000566415924 322121148 /nfs/dbraw/zinc/12/11/48/322121148.db2.gz GSPGFLKMSICUGC-MSOLQXFVSA-N 2 1 292.467 3.066 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000566419165 322122150 /nfs/dbraw/zinc/12/21/50/322122150.db2.gz QOGMDAQXIDAJLU-UHFFFAOYSA-N 2 1 287.382 3.156 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000566419165 322122152 /nfs/dbraw/zinc/12/21/52/322122152.db2.gz QOGMDAQXIDAJLU-UHFFFAOYSA-N 2 1 287.382 3.156 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)CC(C)C ZINC000567188822 322153435 /nfs/dbraw/zinc/15/34/35/322153435.db2.gz UFEAGZKSNQYTGO-YVSFHVDLSA-N 2 1 284.488 3.289 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@H]2C2CC2)([NH+](C)C)C1 ZINC000567261403 322156570 /nfs/dbraw/zinc/15/65/70/322156570.db2.gz JMQBKPHUYWOLBV-XBVQOTNRSA-N 2 1 264.457 3.275 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000568166201 322195458 /nfs/dbraw/zinc/19/54/58/322195458.db2.gz FYGUVZMGOYCYTI-KRWDZBQOSA-N 2 1 269.392 3.094 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCCCC1 ZINC000568677358 322218123 /nfs/dbraw/zinc/21/81/23/322218123.db2.gz USINLHWKLOJLGC-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000569339409 322243975 /nfs/dbraw/zinc/24/39/75/322243975.db2.gz BHIVHGXECMBCFG-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000569339409 322243976 /nfs/dbraw/zinc/24/39/76/322243976.db2.gz BHIVHGXECMBCFG-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)C1CCCC1 ZINC000569349954 322244405 /nfs/dbraw/zinc/24/44/05/322244405.db2.gz HGSDGUPHJRCHMG-HOTGVXAUSA-N 2 1 278.827 3.434 20 0 CGADMP CC[C@H](F)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569514287 322249358 /nfs/dbraw/zinc/24/93/58/322249358.db2.gz ZEFCOZUGKDJFKI-KURKYZTESA-N 2 1 290.426 3.188 20 0 CGADMP CC[C@H](F)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569514287 322249359 /nfs/dbraw/zinc/24/93/59/322249359.db2.gz ZEFCOZUGKDJFKI-KURKYZTESA-N 2 1 290.426 3.188 20 0 CGADMP CC[C@H](F)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569514287 322249361 /nfs/dbraw/zinc/24/93/61/322249361.db2.gz ZEFCOZUGKDJFKI-KURKYZTESA-N 2 1 290.426 3.188 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(C)s1 ZINC000570304177 322270478 /nfs/dbraw/zinc/27/04/78/322270478.db2.gz WSPPQAYHBKGXJH-UHFFFAOYSA-N 2 1 289.448 3.029 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000570938330 322285843 /nfs/dbraw/zinc/28/58/43/322285843.db2.gz VZGFHTKBCQKEAV-NVXWUHKLSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000570938329 322285889 /nfs/dbraw/zinc/28/58/89/322285889.db2.gz VZGFHTKBCQKEAV-DOTOQJQBSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c2c1 ZINC000571457779 322299492 /nfs/dbraw/zinc/29/94/92/322299492.db2.gz NLMWJICJZRHWGK-UONOGXRCSA-N 2 1 281.403 3.002 20 0 CGADMP CCc1cc(N2CC[NH+](Cc3ccsc3)CC2)cc[nH+]1 ZINC000571749690 322306726 /nfs/dbraw/zinc/30/67/26/322306726.db2.gz RJPVNRPWGZLYBL-UHFFFAOYSA-N 2 1 287.432 3.028 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571882567 322310134 /nfs/dbraw/zinc/31/01/34/322310134.db2.gz ILGZOYOZFABHFX-IRXDYDNUSA-N 2 1 276.399 3.352 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572644188 322347880 /nfs/dbraw/zinc/34/78/80/322347880.db2.gz WWNXWHCYWGBHAZ-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572644188 322347882 /nfs/dbraw/zinc/34/78/82/322347882.db2.gz WWNXWHCYWGBHAZ-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000572648086 322348406 /nfs/dbraw/zinc/34/84/06/322348406.db2.gz NJMBBUGTVNLRSY-HSBZDZAISA-N 2 1 274.399 3.130 20 0 CGADMP CCc1ccc(C(C)(C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000572659337 322349129 /nfs/dbraw/zinc/34/91/29/322349129.db2.gz CZEJXJJCUCMKTN-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP CC1(C)CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000388955771 328596672 /nfs/dbraw/zinc/59/66/72/328596672.db2.gz ATTMIAWQMQDEHI-ZDUSSCGKSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000584270278 327205281 /nfs/dbraw/zinc/20/52/81/327205281.db2.gz FCDAZSZIFRIGAO-DLBZAZTESA-N 2 1 288.435 3.142 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000584270278 327205282 /nfs/dbraw/zinc/20/52/82/327205282.db2.gz FCDAZSZIFRIGAO-DLBZAZTESA-N 2 1 288.435 3.142 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000584270278 327205284 /nfs/dbraw/zinc/20/52/84/327205284.db2.gz FCDAZSZIFRIGAO-DLBZAZTESA-N 2 1 288.435 3.142 20 0 CGADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000577561960 327273077 /nfs/dbraw/zinc/27/30/77/327273077.db2.gz KPCGYAFEDCUSRM-WMZOPIPTSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000577561960 327273078 /nfs/dbraw/zinc/27/30/78/327273078.db2.gz KPCGYAFEDCUSRM-WMZOPIPTSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC000577561960 327273080 /nfs/dbraw/zinc/27/30/80/327273080.db2.gz KPCGYAFEDCUSRM-WMZOPIPTSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC000577561960 327273082 /nfs/dbraw/zinc/27/30/82/327273082.db2.gz KPCGYAFEDCUSRM-WMZOPIPTSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000582514935 329099653 /nfs/dbraw/zinc/09/96/53/329099653.db2.gz ZJUHUNWIQLMHEK-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000582514935 329099654 /nfs/dbraw/zinc/09/96/54/329099654.db2.gz ZJUHUNWIQLMHEK-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000582514935 329099656 /nfs/dbraw/zinc/09/96/56/329099656.db2.gz ZJUHUNWIQLMHEK-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000174629791 335161159 /nfs/dbraw/zinc/16/11/59/335161159.db2.gz CZTQLOLAELTVPC-NVXWUHKLSA-N 2 1 260.425 3.123 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000576668650 335232784 /nfs/dbraw/zinc/23/27/84/335232784.db2.gz MYJSTGZNQNOBLD-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000576668650 335232786 /nfs/dbraw/zinc/23/27/86/335232786.db2.gz MYJSTGZNQNOBLD-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000576809752 335249929 /nfs/dbraw/zinc/24/99/29/335249929.db2.gz DYURFGAUQACFDO-MOPGFXCFSA-N 2 1 286.463 3.249 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192823990 335307398 /nfs/dbraw/zinc/30/73/98/335307398.db2.gz YDAHDFLEXYSHDO-KBXCAEBGSA-N 2 1 298.434 3.364 20 0 CGADMP CC(C)SCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000577589193 335374361 /nfs/dbraw/zinc/37/43/61/335374361.db2.gz PFFGRBLOTYLPLC-UHFFFAOYSA-N 2 1 272.502 3.180 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CCCC[NH2+]1 ZINC000386379330 336171931 /nfs/dbraw/zinc/17/19/31/336171931.db2.gz CSNLTJDURWPERI-PWSUYJOCSA-N 2 1 272.845 3.064 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423327723 533890865 /nfs/dbraw/zinc/89/08/65/533890865.db2.gz LSHWWMNVCHZPKT-BONVTDFDSA-N 2 1 286.341 3.144 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+]CCC[NH+]1CCCCC1 ZINC000161783487 533982427 /nfs/dbraw/zinc/98/24/27/533982427.db2.gz HPHPVZJIZJBJMA-UHFFFAOYSA-N 2 1 290.451 3.396 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415054479 533991586 /nfs/dbraw/zinc/99/15/86/533991586.db2.gz MCRAQSCVGMWDPZ-ZBFHGGJFSA-N 2 1 262.441 3.218 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423510000 533994704 /nfs/dbraw/zinc/99/47/04/533994704.db2.gz RUXIXEVKSLMAPE-XDKFSHSGSA-N 2 1 272.436 3.286 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414168448 534063823 /nfs/dbraw/zinc/06/38/23/534063823.db2.gz ADZLXSNHAGKOGH-GLJUWKHASA-N 2 1 290.426 3.381 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414229672 534445823 /nfs/dbraw/zinc/44/58/23/534445823.db2.gz NDMPRAJZZDMQHW-KEYYUXOJSA-N 2 1 289.467 3.197 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414229672 534445825 /nfs/dbraw/zinc/44/58/25/534445825.db2.gz NDMPRAJZZDMQHW-KEYYUXOJSA-N 2 1 289.467 3.197 20 0 CGADMP c1cncc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)c1 ZINC000366460786 534511142 /nfs/dbraw/zinc/51/11/42/534511142.db2.gz JKASOHKHTJRTJX-FGTMMUONSA-N 2 1 285.435 3.139 20 0 CGADMP c1csc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192926038 534521964 /nfs/dbraw/zinc/52/19/64/534521964.db2.gz QZGXTPLRAGSLJZ-INIZCTEOSA-N 2 1 286.444 3.360 20 0 CGADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)c1cccc(OC)c1 ZINC000094011584 520977014 /nfs/dbraw/zinc/97/70/14/520977014.db2.gz OQQROSGOVKQWFI-CQSZACIVSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000081584609 521491601 /nfs/dbraw/zinc/49/16/01/521491601.db2.gz CBWJGVCQKJDKEK-HOTGVXAUSA-N 2 1 260.425 3.411 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000081584609 521491586 /nfs/dbraw/zinc/49/15/86/521491586.db2.gz CBWJGVCQKJDKEK-HOTGVXAUSA-N 2 1 260.425 3.411 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000081584609 521491595 /nfs/dbraw/zinc/49/15/95/521491595.db2.gz CBWJGVCQKJDKEK-HOTGVXAUSA-N 2 1 260.425 3.411 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ccccc3n2)C1 ZINC000081533397 521492519 /nfs/dbraw/zinc/49/25/19/521492519.db2.gz FQSHSLZZIZWFQP-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ccccc3n2)C1 ZINC000081533397 521492529 /nfs/dbraw/zinc/49/25/29/521492529.db2.gz FQSHSLZZIZWFQP-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000081533397 521492537 /nfs/dbraw/zinc/49/25/37/521492537.db2.gz FQSHSLZZIZWFQP-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000081533397 521492544 /nfs/dbraw/zinc/49/25/44/521492544.db2.gz FQSHSLZZIZWFQP-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1F ZINC000449044411 534711100 /nfs/dbraw/zinc/71/11/00/534711100.db2.gz DNOKCRYIKJZPLQ-GOEBONIOSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1F ZINC000449044411 534711103 /nfs/dbraw/zinc/71/11/03/534711103.db2.gz DNOKCRYIKJZPLQ-GOEBONIOSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1F ZINC000449044411 534711109 /nfs/dbraw/zinc/71/11/09/534711109.db2.gz DNOKCRYIKJZPLQ-GOEBONIOSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1F ZINC000449044411 534711112 /nfs/dbraw/zinc/71/11/12/534711112.db2.gz DNOKCRYIKJZPLQ-GOEBONIOSA-N 2 1 276.399 3.050 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156336097 524894916 /nfs/dbraw/zinc/89/49/16/524894916.db2.gz RNOZYKDIIXQDMF-PBHICJAKSA-N 2 1 285.435 3.030 20 0 CGADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000157620011 527587388 /nfs/dbraw/zinc/58/73/88/527587388.db2.gz YZNWGRPSVSZBBI-DZGCQCFKSA-N 2 1 292.471 3.081 20 0 CGADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000157620011 527587392 /nfs/dbraw/zinc/58/73/92/527587392.db2.gz YZNWGRPSVSZBBI-DZGCQCFKSA-N 2 1 292.471 3.081 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026005 527752415 /nfs/dbraw/zinc/75/24/15/527752415.db2.gz DGBJNVMJKFVQHT-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026005 527752418 /nfs/dbraw/zinc/75/24/18/527752418.db2.gz DGBJNVMJKFVQHT-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026005 527752422 /nfs/dbraw/zinc/75/24/22/527752422.db2.gz DGBJNVMJKFVQHT-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423286819 527782771 /nfs/dbraw/zinc/78/27/71/527782771.db2.gz IZGVVDGPSPWOBQ-AWEZNQCLSA-N 2 1 278.440 3.499 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(OC)cc1 ZINC000423270623 528224515 /nfs/dbraw/zinc/22/45/15/528224515.db2.gz IEXDLFLKKOEYDR-HOTGVXAUSA-N 2 1 264.413 3.109 20 0 CGADMP CCCCCOc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000415023192 528232854 /nfs/dbraw/zinc/23/28/54/528232854.db2.gz WGGLKFCLADNTSK-KGLIPLIRSA-N 2 1 294.439 3.090 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423270425 528309805 /nfs/dbraw/zinc/30/98/05/528309805.db2.gz WQEPKWJBKPZNGI-WFASDCNBSA-N 2 1 284.394 3.249 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423238248 528331166 /nfs/dbraw/zinc/33/11/66/528331166.db2.gz QYNFWSYDQCHNJK-RYUDHWBXSA-N 2 1 254.805 3.031 20 0 CGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)COC)CC1)CC(C)C ZINC000358740012 528430149 /nfs/dbraw/zinc/43/01/49/528430149.db2.gz GVGYJBDQFSXQMY-MRXNPFEDSA-N 2 1 284.488 3.101 20 0 CGADMP CCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434684927 528464517 /nfs/dbraw/zinc/46/45/17/528464517.db2.gz LWFQMLSYPDCAOG-UHFFFAOYSA-N 2 1 261.413 3.199 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423307264 528512543 /nfs/dbraw/zinc/51/25/43/528512543.db2.gz GMSHRTAPAYRUHR-LBPRGKRZSA-N 2 1 288.357 3.226 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423312899 528513146 /nfs/dbraw/zinc/51/31/46/528513146.db2.gz STCGGQTZQRNMDG-OLZOCXBDSA-N 2 1 268.832 3.421 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423269650 528518805 /nfs/dbraw/zinc/51/88/05/528518805.db2.gz WBBRWHQHQBNJMF-DJIMGWMZSA-N 2 1 275.440 3.071 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423264327 528533510 /nfs/dbraw/zinc/53/35/10/528533510.db2.gz PXMVGEYCYRAHLS-GUYCJALGSA-N 2 1 256.393 3.474 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423271366 528534314 /nfs/dbraw/zinc/53/43/14/528534314.db2.gz IZZLEWZLYYRBIA-LSDHHAIUSA-N 2 1 266.816 3.364 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423338443 528588270 /nfs/dbraw/zinc/58/82/70/528588270.db2.gz ZEVSGOUJQSOARM-RHSMWYFYSA-N 2 1 272.392 3.457 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000423517998 528690300 /nfs/dbraw/zinc/69/03/00/528690300.db2.gz YZLRYNYTWPQJLH-OWCLPIDISA-N 2 1 252.446 3.308 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423287246 528690716 /nfs/dbraw/zinc/69/07/16/528690716.db2.gz LBPIYXXCUBPIPI-ZDUSSCGKSA-N 2 1 294.439 3.262 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[NH+](C)C ZINC000449079207 528823153 /nfs/dbraw/zinc/82/31/53/528823153.db2.gz XUGHSWBTHKBEMZ-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000423298197 528823644 /nfs/dbraw/zinc/82/36/44/528823644.db2.gz NOKISAZKRJXMOY-HIFRSBDPSA-N 2 1 292.423 3.016 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423304431 528823709 /nfs/dbraw/zinc/82/37/09/528823709.db2.gz YUAPJCFLCOOPLP-YPMHNXCESA-N 2 1 277.437 3.464 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000423283168 528951141 /nfs/dbraw/zinc/95/11/41/528951141.db2.gz DRJVFLZJNLMJTK-CYBMUJFWSA-N 2 1 264.438 3.331 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000423297508 528957111 /nfs/dbraw/zinc/95/71/11/528957111.db2.gz KOFVLSMMMHLULX-UKRRQHHQSA-N 2 1 264.413 3.253 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3ccoc32)CC1 ZINC000449010276 528973487 /nfs/dbraw/zinc/97/34/87/528973487.db2.gz RSWHYXXZQGGETN-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3ccoc32)CC1 ZINC000449010276 528973493 /nfs/dbraw/zinc/97/34/93/528973493.db2.gz RSWHYXXZQGGETN-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CC1(C)C ZINC000414143819 529161122 /nfs/dbraw/zinc/16/11/22/529161122.db2.gz IYMYEGZYMCERAZ-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1F ZINC000163462273 529161807 /nfs/dbraw/zinc/16/18/07/529161807.db2.gz XLMIONWOVUALPC-MRXNPFEDSA-N 2 1 264.388 3.352 20 0 CGADMP CCc1cccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000364944123 529167954 /nfs/dbraw/zinc/16/79/54/529167954.db2.gz LXIKFVVCQVHMIH-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP CCc1cccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000364944123 529167957 /nfs/dbraw/zinc/16/79/57/529167957.db2.gz LXIKFVVCQVHMIH-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000423353368 529168184 /nfs/dbraw/zinc/16/81/84/529168184.db2.gz BLQJBJAPNBZNSI-IUODEOHRSA-N 2 1 250.361 3.009 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432406635 535384739 /nfs/dbraw/zinc/38/47/39/535384739.db2.gz IBYPMPXOOPIQDC-SJORKVTESA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432406635 535384740 /nfs/dbraw/zinc/38/47/40/535384740.db2.gz IBYPMPXOOPIQDC-SJORKVTESA-N 2 1 284.488 3.292 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000093692888 535596803 /nfs/dbraw/zinc/59/68/03/535596803.db2.gz PAWDRWJKMMMPTF-JKSUJKDBSA-N 2 1 250.430 3.006 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1F ZINC000486980303 535725011 /nfs/dbraw/zinc/72/50/11/535725011.db2.gz ISRAEYPZVMDUOQ-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422909090 535726003 /nfs/dbraw/zinc/72/60/03/535726003.db2.gz ZVRCCQMQIJFQRK-DNVCBOLYSA-N 2 1 298.430 3.133 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411189 536370325 /nfs/dbraw/zinc/37/03/25/536370325.db2.gz DGGAVEFIFMKWBP-QZTJIDSGSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411189 536370328 /nfs/dbraw/zinc/37/03/28/536370328.db2.gz DGGAVEFIFMKWBP-QZTJIDSGSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411189 536370330 /nfs/dbraw/zinc/37/03/30/536370330.db2.gz DGGAVEFIFMKWBP-QZTJIDSGSA-N 2 1 290.426 3.273 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000459780897 536383793 /nfs/dbraw/zinc/38/37/93/536383793.db2.gz LTQLWWFSTFGIQP-JBQRSBCVSA-N 2 1 294.389 3.300 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000459743164 536384552 /nfs/dbraw/zinc/38/45/52/536384552.db2.gz WTANZAAAOFTCJP-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc2ccccc2c1 ZINC000729681265 571928968 /nfs/dbraw/zinc/92/89/68/571928968.db2.gz LKZSGAYWDOJWQY-AWEZNQCLSA-N 2 1 294.402 3.166 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000166132355 572459761 /nfs/dbraw/zinc/45/97/61/572459761.db2.gz PVXCCYWYKCCJLP-BEFAXECRSA-N 2 1 284.447 3.446 20 0 CGADMP c1csc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000749441110 573005277 /nfs/dbraw/zinc/00/52/77/573005277.db2.gz RDZONOQYCGQSCA-UHFFFAOYSA-N 2 1 278.465 3.241 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000034995306 617611828 /nfs/dbraw/zinc/61/18/28/617611828.db2.gz KLCKAVUGHPIFIU-UHFFFAOYSA-N 2 1 290.407 3.263 20 0 CGADMP CC1(C)CCC(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000415141098 617620310 /nfs/dbraw/zinc/62/03/10/617620310.db2.gz OLIKFIPMFQYJBB-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP CC1(C)CCC(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000415141098 617620313 /nfs/dbraw/zinc/62/03/13/617620313.db2.gz OLIKFIPMFQYJBB-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2C)C[C@@H]1C ZINC000892104989 618532564 /nfs/dbraw/zinc/53/25/64/618532564.db2.gz WXYGKFSFFIWOBQ-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2C)C[C@@H]1C ZINC000892104989 618532571 /nfs/dbraw/zinc/53/25/71/618532571.db2.gz WXYGKFSFFIWOBQ-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(Cl)s2)CC[NH2+]1 ZINC000235724000 618821448 /nfs/dbraw/zinc/82/14/48/618821448.db2.gz ULVFHPXTGVXGOK-WDEREUQCSA-N 2 1 272.845 3.221 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cn1 ZINC000892516796 618839875 /nfs/dbraw/zinc/83/98/75/618839875.db2.gz NOISAMDPFYMGHJ-UHFFFAOYSA-N 2 1 277.456 3.100 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000892516796 618839876 /nfs/dbraw/zinc/83/98/76/618839876.db2.gz NOISAMDPFYMGHJ-UHFFFAOYSA-N 2 1 277.456 3.100 20 0 CGADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924606365 618939576 /nfs/dbraw/zinc/93/95/76/618939576.db2.gz KZUHTBGUNUQUMM-MRXNPFEDSA-N 2 1 299.418 3.212 20 0 CGADMP CCCC[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309920405 619034284 /nfs/dbraw/zinc/03/42/84/619034284.db2.gz VQZNQCBNZIXMRY-QGZVFWFLSA-N 2 1 260.425 3.288 20 0 CGADMP Cc1nc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)sc1C ZINC000893331095 619103995 /nfs/dbraw/zinc/10/39/95/619103995.db2.gz MINZXJAZOGDQJF-UHFFFAOYSA-N 2 1 289.448 3.111 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925720827 619165981 /nfs/dbraw/zinc/16/59/81/619165981.db2.gz UVPRWTJFCPVWAT-VQHPVUNQSA-N 2 1 282.472 3.090 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2CF)CC1 ZINC000931472529 619177362 /nfs/dbraw/zinc/17/73/62/619177362.db2.gz UDEHXTHBODPBMO-UHFFFAOYSA-N 2 1 278.415 3.462 20 0 CGADMP c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC[NH2+]CC2)cc1 ZINC000261634490 619295080 /nfs/dbraw/zinc/29/50/80/619295080.db2.gz CTJSYGNYCLLXEH-REPLKXPHSA-N 2 1 284.447 3.397 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000178701292 619375275 /nfs/dbraw/zinc/37/52/75/619375275.db2.gz OLWUOHVULKROIB-STQMWFEESA-N 2 1 283.485 3.337 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261920052 619475365 /nfs/dbraw/zinc/47/53/65/619475365.db2.gz BMWMDHWQCJBWNS-UHFFFAOYSA-N 2 1 280.415 3.415 20 0 CGADMP CC[N@@H+](Cc1cc(Cl)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000262018944 619526023 /nfs/dbraw/zinc/52/60/23/619526023.db2.gz WAHXTFFOGIUHHX-GFCCVEGCSA-N 2 1 272.845 3.366 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262022232 619528669 /nfs/dbraw/zinc/52/86/69/619528669.db2.gz NGRQZUUPEMKDID-UHFFFAOYSA-N 2 1 280.362 3.200 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCCn3c(cc4ccccc43)C2)CC1 ZINC000894517268 619560339 /nfs/dbraw/zinc/56/03/39/619560339.db2.gz VHEUTJVECZQFAG-UHFFFAOYSA-N 2 1 297.446 3.189 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000894806633 619640715 /nfs/dbraw/zinc/64/07/15/619640715.db2.gz HIAPFDCGIYUUTR-UHFFFAOYSA-N 2 1 292.471 3.045 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCc2ccc(F)cc21 ZINC000895189261 619773516 /nfs/dbraw/zinc/77/35/16/619773516.db2.gz XVLVHNFFDGRHPR-CQSZACIVSA-N 2 1 290.426 3.129 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)s1 ZINC000895375416 619816982 /nfs/dbraw/zinc/81/69/82/619816982.db2.gz AWGPUWFMNYYPRC-DOMZBBRYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)s1 ZINC000895375416 619816984 /nfs/dbraw/zinc/81/69/84/619816984.db2.gz AWGPUWFMNYYPRC-DOMZBBRYSA-N 2 1 281.469 3.004 20 0 CGADMP c1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)c2c(c1)CCCN2 ZINC000895401806 619821324 /nfs/dbraw/zinc/82/13/24/619821324.db2.gz CGXLVPMHBYHRMQ-GOSISDBHSA-N 2 1 299.462 3.151 20 0 CGADMP CC(C)Cc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000895587130 619855408 /nfs/dbraw/zinc/85/54/08/619855408.db2.gz IVIFBRWLCSVETH-QGZVFWFLSA-N 2 1 289.467 3.102 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000895587130 619855409 /nfs/dbraw/zinc/85/54/09/619855409.db2.gz IVIFBRWLCSVETH-QGZVFWFLSA-N 2 1 289.467 3.102 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000895587130 619855410 /nfs/dbraw/zinc/85/54/10/619855410.db2.gz IVIFBRWLCSVETH-QGZVFWFLSA-N 2 1 289.467 3.102 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000895669662 619868985 /nfs/dbraw/zinc/86/89/85/619868985.db2.gz ALEUWXGNTMUSJE-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CCc1ncc(C[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000895684546 619872587 /nfs/dbraw/zinc/87/25/87/619872587.db2.gz DUIKJROGJKXXHD-UHFFFAOYSA-N 2 1 295.496 3.403 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000896724211 620049974 /nfs/dbraw/zinc/04/99/74/620049974.db2.gz VVDZYNQDGMKQHC-DLBZAZTESA-N 2 1 273.424 3.163 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)ccc2c1 ZINC000262552111 620206340 /nfs/dbraw/zinc/20/63/40/620206340.db2.gz SQEDIRJUPZNRHY-KBXCAEBGSA-N 2 1 298.430 3.265 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000925204026 620228888 /nfs/dbraw/zinc/22/88/88/620228888.db2.gz JHZJUQZMUNDSFA-AEFFLSMTSA-N 2 1 289.467 3.114 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000925204026 620228891 /nfs/dbraw/zinc/22/88/91/620228891.db2.gz JHZJUQZMUNDSFA-AEFFLSMTSA-N 2 1 289.467 3.114 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCSC(C)(C)C2)CC1(C)C ZINC000897793313 620432387 /nfs/dbraw/zinc/43/23/87/620432387.db2.gz LWGFALQIVYKLFU-OLZOCXBDSA-N 2 1 270.486 3.123 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000897994284 620459038 /nfs/dbraw/zinc/45/90/38/620459038.db2.gz DWPOZGHNMUXAKB-INIZCTEOSA-N 2 1 275.440 3.161 20 0 CGADMP C[C@@H]([NH2+]C[Si](C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750764 625429466 /nfs/dbraw/zinc/42/94/66/625429466.db2.gz HBHPPNIJVOGPHJ-KGLIPLIRSA-N 2 1 268.521 3.106 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1nccc2ccccc21 ZINC000898308113 620509663 /nfs/dbraw/zinc/50/96/63/620509663.db2.gz OQAHBVGBDHCAKY-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1nccc2ccccc21 ZINC000898308113 620509665 /nfs/dbraw/zinc/50/96/65/620509665.db2.gz OQAHBVGBDHCAKY-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCc2c1nccc2Cl)C[NH+]1CCCC1 ZINC000924713207 620572621 /nfs/dbraw/zinc/57/26/21/620572621.db2.gz CSIFPVUUWNFONF-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902043239 621113908 /nfs/dbraw/zinc/11/39/08/621113908.db2.gz WEKKTFVETONISW-UHFFFAOYSA-N 2 1 275.440 3.001 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C1 ZINC000902351139 621283728 /nfs/dbraw/zinc/28/37/28/621283728.db2.gz CVPZNXVOMWTNST-GXTWGEPZSA-N 2 1 294.826 3.141 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)C1 ZINC000902446384 621313952 /nfs/dbraw/zinc/31/39/52/621313952.db2.gz SWWSQHSVIWKKNZ-BZUAXINKSA-N 2 1 287.451 3.004 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902476262 621326255 /nfs/dbraw/zinc/32/62/55/621326255.db2.gz OJBGHYDSURIWPT-MXASKKJJSA-N 2 1 272.436 3.225 20 0 CGADMP CO[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000903082645 621562725 /nfs/dbraw/zinc/56/27/25/621562725.db2.gz UQICCBBKJRFGFU-ROUUACIJSA-N 2 1 290.451 3.184 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903434898 621745219 /nfs/dbraw/zinc/74/52/19/621745219.db2.gz MLTNVMZJCGOQRK-FGTMMUONSA-N 2 1 272.436 3.129 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439569 621747900 /nfs/dbraw/zinc/74/79/00/621747900.db2.gz KWUVMNZQMLXNOI-HZMVEIRTSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439020 621748007 /nfs/dbraw/zinc/74/80/07/621748007.db2.gz BLIQPITTWGSIJW-QDEZUTFSSA-N 2 1 276.399 3.064 20 0 CGADMP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439721 621749208 /nfs/dbraw/zinc/74/92/08/621749208.db2.gz MZQOLJSAFMNIIX-RMHZUWNSSA-N 2 1 276.399 3.336 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C1CCCCC1 ZINC000903454951 621762553 /nfs/dbraw/zinc/76/25/53/621762553.db2.gz OQPNYJQTYFQOMM-QGZVFWFLSA-N 2 1 271.408 3.165 20 0 CGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903565658 621767568 /nfs/dbraw/zinc/76/75/68/621767568.db2.gz APFFFERWQYUJDK-LMSBXDPUSA-N 2 1 272.436 3.382 20 0 CGADMP CCC1CCC([N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725114 621797029 /nfs/dbraw/zinc/79/70/29/621797029.db2.gz WTSHXSROBUVNGX-OFLPRAFFSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903763442 621803283 /nfs/dbraw/zinc/80/32/83/621803283.db2.gz JYUAKXWTZSBLDW-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CF)[C@H]1CC[NH3+] ZINC000903764285 621803314 /nfs/dbraw/zinc/80/33/14/621803314.db2.gz QWHIITVEPGPNHL-CJNGLKHVSA-N 2 1 264.388 3.105 20 0 CGADMP Clc1cccc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903829401 621818505 /nfs/dbraw/zinc/81/85/05/621818505.db2.gz FYWCLMDSSJKJJP-GFCCVEGCSA-N 2 1 264.800 3.045 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCCCC1)C2 ZINC000903842227 621819411 /nfs/dbraw/zinc/81/94/11/621819411.db2.gz MKROWCXWLXZFSY-XHSDSOJGSA-N 2 1 250.430 3.159 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879104 621825278 /nfs/dbraw/zinc/82/52/78/621825278.db2.gz SICXTPMWZPLNOM-IPQPSQTFSA-N 2 1 284.447 3.224 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878912 621825371 /nfs/dbraw/zinc/82/53/71/621825371.db2.gz NEPWIMQJIMWGHO-KZWSWKJNSA-N 2 1 276.399 3.349 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903896208 621828258 /nfs/dbraw/zinc/82/82/58/621828258.db2.gz UBLFJTDGJRNOFE-ZFSFWUJJSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903896205 621828427 /nfs/dbraw/zinc/82/84/27/621828427.db2.gz UBLFJTDGJRNOFE-FKYCIPGDSA-N 2 1 284.447 3.395 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903896600 621829421 /nfs/dbraw/zinc/82/94/21/621829421.db2.gz VXHMBLDVVBWFOT-BFHYXJOUSA-N 2 1 282.378 3.155 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903896600 621829425 /nfs/dbraw/zinc/82/94/25/621829425.db2.gz VXHMBLDVVBWFOT-BFHYXJOUSA-N 2 1 282.378 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCCC[C@H]12 ZINC000903902225 621830761 /nfs/dbraw/zinc/83/07/61/621830761.db2.gz FCGZECLJYDWVAF-IKDFJIFVSA-N 2 1 262.441 3.028 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc(F)cc1 ZINC000903920233 621833199 /nfs/dbraw/zinc/83/31/99/621833199.db2.gz HIBHCYLXXOIHBT-JSGCOSHPSA-N 2 1 288.357 3.485 20 0 CGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000903955170 621842949 /nfs/dbraw/zinc/84/29/49/621842949.db2.gz LYFGGZDETIEEEJ-INIZCTEOSA-N 2 1 290.357 3.174 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000904321488 621906048 /nfs/dbraw/zinc/90/60/48/621906048.db2.gz YUWWBHBZUVKDNI-GOEBONIOSA-N 2 1 293.480 3.150 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000904321488 621906050 /nfs/dbraw/zinc/90/60/50/621906050.db2.gz YUWWBHBZUVKDNI-GOEBONIOSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000904406544 621917920 /nfs/dbraw/zinc/91/79/20/621917920.db2.gz GOPLVCVCJYNADE-SZMVWBNQSA-N 2 1 272.436 3.168 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1C(F)(F)F ZINC000904406620 621918143 /nfs/dbraw/zinc/91/81/43/621918143.db2.gz IDBVREGAVNRGBL-LBPRGKRZSA-N 2 1 286.341 3.185 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000904411391 621919114 /nfs/dbraw/zinc/91/91/14/621919114.db2.gz UXCJWHDHPVEWAW-SJORKVTESA-N 2 1 290.451 3.152 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC000904430570 621920793 /nfs/dbraw/zinc/92/07/93/621920793.db2.gz JSMPAEZPGNSXDB-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC000904430570 621920796 /nfs/dbraw/zinc/92/07/96/621920796.db2.gz JSMPAEZPGNSXDB-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP [NH3+]C1(C[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000904445636 621923773 /nfs/dbraw/zinc/92/37/73/621923773.db2.gz YYFXBFXBEATWTJ-UHFFFAOYSA-N 2 1 273.207 3.007 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000904470520 621925622 /nfs/dbraw/zinc/92/56/22/621925622.db2.gz ZBVODNACKMNNPF-RYUDHWBXSA-N 2 1 264.800 3.044 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000044532910 622793892 /nfs/dbraw/zinc/79/38/92/622793892.db2.gz ZZBVDGHCYXHSJT-YOEHRIQHSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224196849 622870067 /nfs/dbraw/zinc/87/00/67/622870067.db2.gz YHKUHYSRBMIRCS-KGLIPLIRSA-N 2 1 260.425 3.326 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226436165 622968481 /nfs/dbraw/zinc/96/84/81/622968481.db2.gz WKGBMFJYESOLBD-HNNXBMFYSA-N 2 1 264.388 3.037 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000230048556 623188497 /nfs/dbraw/zinc/18/84/97/623188497.db2.gz KNHFCKAMRYHHHY-AEGPPILISA-N 2 1 298.352 3.265 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000062862684 623271360 /nfs/dbraw/zinc/27/13/60/623271360.db2.gz YFNCYHJYNBWYMZ-TZMCWYRMSA-N 2 1 252.427 3.131 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000921685442 625832494 /nfs/dbraw/zinc/83/24/94/625832494.db2.gz HZSCHXHSCCNFNM-VHDGCEQUSA-N 2 1 281.469 3.091 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921737068 625857691 /nfs/dbraw/zinc/85/76/91/625857691.db2.gz RQVAVEGXKGXKAB-XMTFNYHQSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921737068 625857694 /nfs/dbraw/zinc/85/76/94/625857694.db2.gz RQVAVEGXKGXKAB-XMTFNYHQSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000086939107 626140576 /nfs/dbraw/zinc/14/05/76/626140576.db2.gz BMPPIGISNMWERD-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923312962 626144655 /nfs/dbraw/zinc/14/46/55/626144655.db2.gz OJEZRAPOEIBSHE-YTTRVJOFSA-N 2 1 288.435 3.306 20 0 CGADMP c1ccc2oc([C@@H]3CCC[N@H+](CCC[NH2+]C4CC4)C3)nc2c1 ZINC000923320551 626145456 /nfs/dbraw/zinc/14/54/56/626145456.db2.gz ZNXRAFVJRJYOME-CQSZACIVSA-N 2 1 299.418 3.149 20 0 CGADMP CC[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@H]1[NH3+] ZINC000923344975 626148707 /nfs/dbraw/zinc/14/87/07/626148707.db2.gz LPPPYUJKNNQLNJ-HUUCEWRRSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499296 626158417 /nfs/dbraw/zinc/15/84/17/626158417.db2.gz RZVZKCQFKUIGQC-BZPMIXESSA-N 2 1 298.377 3.266 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497678 626158525 /nfs/dbraw/zinc/15/85/25/626158525.db2.gz IVWOSUHOQGDPBL-XJKSGUPXSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499302 626159322 /nfs/dbraw/zinc/15/93/22/626159322.db2.gz RZVZKCQFKUIGQC-YRGRVCCFSA-N 2 1 298.377 3.266 20 0 CGADMP C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CCC[NH3+] ZINC000923525679 626161035 /nfs/dbraw/zinc/16/10/35/626161035.db2.gz JWOTXDMXGOAERH-CYBMUJFWSA-N 2 1 272.845 3.147 20 0 CGADMP c1ccc(CSCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000754785223 626587385 /nfs/dbraw/zinc/58/73/85/626587385.db2.gz JRUCVGJSUVYPGJ-IRXDYDNUSA-N 2 1 290.476 3.136 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000765142822 627241696 /nfs/dbraw/zinc/24/16/96/627241696.db2.gz JJACGXXVTABRIX-QGZVFWFLSA-N 2 1 269.392 3.167 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000765238168 627243401 /nfs/dbraw/zinc/24/34/01/627243401.db2.gz GUTIQALLSYOSPX-CVEARBPZSA-N 2 1 284.407 3.244 20 0 CGADMP COc1ccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c2c1 ZINC000765467186 627251519 /nfs/dbraw/zinc/25/15/19/627251519.db2.gz DDIZOVQEGGLZAI-KBPBESRZSA-N 2 1 297.402 3.282 20 0 CGADMP C[C@H]1CCCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774190516 627959302 /nfs/dbraw/zinc/95/93/02/627959302.db2.gz MNNYKXRKTKHQPV-ZSNVMCELSA-N 2 1 264.457 3.418 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CCc3ccccc32)CCCC1 ZINC000775606738 628113311 /nfs/dbraw/zinc/11/33/11/628113311.db2.gz RECIYDPVKWTTDH-INIZCTEOSA-N 2 1 272.436 3.180 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623460 628115075 /nfs/dbraw/zinc/11/50/75/628115075.db2.gz QOFSBHOOMREHFF-UONOGXRCSA-N 2 1 283.419 3.303 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776045928 628161063 /nfs/dbraw/zinc/16/10/63/628161063.db2.gz UVVQVZVZAZBBPO-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776045928 628161066 /nfs/dbraw/zinc/16/10/66/628161066.db2.gz UVVQVZVZAZBBPO-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2ccc(C[NH+](C)C)c(F)c2)[C@@H](C)C1 ZINC000777699263 628293642 /nfs/dbraw/zinc/29/36/42/628293642.db2.gz ARTOEBHQTNFQBO-SUMWQHHRSA-N 2 1 293.430 3.030 20 0 CGADMP C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417586 628558841 /nfs/dbraw/zinc/55/88/41/628558841.db2.gz YFFJUSSQYYGKQG-ZFWWWQNUSA-N 2 1 278.465 3.491 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000783291347 628699626 /nfs/dbraw/zinc/69/96/26/628699626.db2.gz OZLHJWWZLQHVGQ-NYTXWWLZSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788478917 629057360 /nfs/dbraw/zinc/05/73/60/629057360.db2.gz LCGYCFLIYFPUPA-SFHVURJKSA-N 2 1 272.436 3.474 20 0 CGADMP C[NH+]1CCC(C[N@@H+](CC2CCCCC2)C2CC2)CC1 ZINC000788478957 629057489 /nfs/dbraw/zinc/05/74/89/629057489.db2.gz LQOLMCBJMDPYFX-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+](CC[NH2+]C[C@@H]1CCc2ccccc21)C1CCCC1 ZINC000790049110 629179785 /nfs/dbraw/zinc/17/97/85/629179785.db2.gz LXQFJRNMMPEMCZ-INIZCTEOSA-N 2 1 272.436 3.180 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@@H]1CCc2ccccc21)C1CCCC1 ZINC000790049110 629179788 /nfs/dbraw/zinc/17/97/88/629179788.db2.gz LXQFJRNMMPEMCZ-INIZCTEOSA-N 2 1 272.436 3.180 20 0 CGADMP c1ccc2c(c1)cncc2C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000793338246 629444789 /nfs/dbraw/zinc/44/47/89/629444789.db2.gz VTXYMTYJOOLWLE-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000793527169 629475908 /nfs/dbraw/zinc/47/59/08/629475908.db2.gz UDUNBGTWDWGLRZ-HOTGVXAUSA-N 2 1 292.471 3.034 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863654309 629634018 /nfs/dbraw/zinc/63/40/18/629634018.db2.gz WHQJOROFHVCJGD-UKRRQHHQSA-N 2 1 266.816 3.290 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCC(C)(C)C)s1 ZINC000796311278 629763108 /nfs/dbraw/zinc/76/31/08/629763108.db2.gz XCTKTMQKXPPWJJ-UHFFFAOYSA-N 2 1 269.458 3.121 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1Cl ZINC000796674639 629813855 /nfs/dbraw/zinc/81/38/55/629813855.db2.gz IRYMZNXWRWSDAC-LBPRGKRZSA-N 2 1 296.842 3.402 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(Cl)n1 ZINC000797599280 629967245 /nfs/dbraw/zinc/96/72/45/629967245.db2.gz XGPOWIBHCAICBI-UHFFFAOYSA-N 2 1 293.842 3.150 20 0 CGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002691 630014081 /nfs/dbraw/zinc/01/40/81/630014081.db2.gz PGFDHNONXVEICG-JFIYKMOQSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(OCC)c2)C1 ZINC000865427492 630117637 /nfs/dbraw/zinc/11/76/37/630117637.db2.gz HGWLQNBUGRKSQU-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(OCC)c2)C1 ZINC000865427492 630117638 /nfs/dbraw/zinc/11/76/38/630117638.db2.gz HGWLQNBUGRKSQU-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CC(C)(C)SCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000801923225 630367561 /nfs/dbraw/zinc/36/75/61/630367561.db2.gz BMBWCJIDZCMHLC-HNNXBMFYSA-N 2 1 284.513 3.326 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000815583479 631800228 /nfs/dbraw/zinc/80/02/28/631800228.db2.gz HEGCTHZODXBNMS-KCQAQPDRSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000815583479 631800230 /nfs/dbraw/zinc/80/02/30/631800230.db2.gz HEGCTHZODXBNMS-KCQAQPDRSA-N 2 1 264.388 3.267 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1SC(C)(C)C ZINC000817977851 632269222 /nfs/dbraw/zinc/26/92/22/632269222.db2.gz QPESILFODZIAER-YYWXWVFPSA-N 2 1 290.476 3.446 20 0 CGADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000821372883 632759407 /nfs/dbraw/zinc/75/94/07/632759407.db2.gz AUGFQYFDIQZITK-XLAORIBOSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000866215277 633031815 /nfs/dbraw/zinc/03/18/15/633031815.db2.gz IHROZHRDDVGKGQ-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000866367829 633104993 /nfs/dbraw/zinc/10/49/93/633104993.db2.gz PVDZBMQQLHGXSH-MIGBEJBISA-N 2 1 272.436 3.141 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866562602 633194274 /nfs/dbraw/zinc/19/42/74/633194274.db2.gz UEJDTDFWJUDAOD-YJBOKZPZSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866562602 633194279 /nfs/dbraw/zinc/19/42/79/633194279.db2.gz UEJDTDFWJUDAOD-YJBOKZPZSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000866584726 633204075 /nfs/dbraw/zinc/20/40/75/633204075.db2.gz PYWICJQXHUSDED-NXHRZFHOSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000866584726 633204082 /nfs/dbraw/zinc/20/40/82/633204082.db2.gz PYWICJQXHUSDED-NXHRZFHOSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000866584726 633204084 /nfs/dbraw/zinc/20/40/84/633204084.db2.gz PYWICJQXHUSDED-NXHRZFHOSA-N 2 1 270.420 3.090 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000866708511 633235461 /nfs/dbraw/zinc/23/54/61/633235461.db2.gz QTPXWOGOZPGIGN-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000866708511 633235465 /nfs/dbraw/zinc/23/54/65/633235465.db2.gz QTPXWOGOZPGIGN-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000866707413 633235638 /nfs/dbraw/zinc/23/56/38/633235638.db2.gz OAHKMBSQCOHMNX-YPMHNXCESA-N 2 1 293.282 3.267 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827933309 633536737 /nfs/dbraw/zinc/53/67/37/633536737.db2.gz VBMXEMPGSUNSFB-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827933309 633536742 /nfs/dbraw/zinc/53/67/42/633536742.db2.gz VBMXEMPGSUNSFB-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)[C@H](C)C1 ZINC000846033762 636133350 /nfs/dbraw/zinc/13/33/50/636133350.db2.gz PJHFIUOZYPJABD-RQJABVFESA-N 2 1 276.827 3.011 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000872019265 633939478 /nfs/dbraw/zinc/93/94/78/633939478.db2.gz UMFFGFLQFDINOA-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000872022817 633943496 /nfs/dbraw/zinc/94/34/96/633943496.db2.gz LOUSQVGTSFESSW-AGIUHOORSA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000872022817 633943500 /nfs/dbraw/zinc/94/35/00/633943500.db2.gz LOUSQVGTSFESSW-AGIUHOORSA-N 2 1 278.362 3.324 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872031573 633950745 /nfs/dbraw/zinc/95/07/45/633950745.db2.gz KXVLSBGSECLYGO-NWDGAFQWSA-N 2 1 291.370 3.023 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC[C@H]2C=CCC2)CC1(C)C ZINC000872105986 634027984 /nfs/dbraw/zinc/02/79/84/634027984.db2.gz GKAYFJZTSXCICM-LSDHHAIUSA-N 2 1 250.430 3.195 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)[C@H]2CCC[C@@H]21 ZINC000846185196 636155615 /nfs/dbraw/zinc/15/56/15/636155615.db2.gz QOKGMVXQSYWQNN-GZBLMMOJSA-N 2 1 288.838 3.154 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218017 636161092 /nfs/dbraw/zinc/16/10/92/636161092.db2.gz KIUKBZFXLGFVSI-AWEZNQCLSA-N 2 1 258.475 3.113 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2nccs2)C1)C1CCCC1 ZINC000872156974 634067690 /nfs/dbraw/zinc/06/76/90/634067690.db2.gz MVXPHEKXPYJTNR-HIFRSBDPSA-N 2 1 293.480 3.263 20 0 CGADMP c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872488687 634155018 /nfs/dbraw/zinc/15/50/18/634155018.db2.gz KVFZTEHKTKAXJY-QAPCUYQASA-N 2 1 297.446 3.412 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC2(F)CC2)C1)C1CCCC1 ZINC000873232487 634293960 /nfs/dbraw/zinc/29/39/60/634293960.db2.gz ROXXJWFGQFADEM-DZGCQCFKSA-N 2 1 268.420 3.108 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc2cnccc2c1 ZINC000873231605 634294470 /nfs/dbraw/zinc/29/44/70/634294470.db2.gz RRWVRWVDECOXNN-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP CC1(C)CC[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)[NH2+]C1 ZINC000873236037 634295898 /nfs/dbraw/zinc/29/58/98/634295898.db2.gz WKVQSZVBDJTOOH-INIZCTEOSA-N 2 1 294.483 3.094 20 0 CGADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000873246224 634299411 /nfs/dbraw/zinc/29/94/11/634299411.db2.gz TYVJPOVHOWGUFC-JSGCOSHPSA-N 2 1 294.414 3.263 20 0 CGADMP COc1c(C)cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1C ZINC000835060553 634342263 /nfs/dbraw/zinc/34/22/63/634342263.db2.gz BAZGXQJEJIWOCJ-UHFFFAOYSA-N 2 1 290.451 3.276 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)SC)C1 ZINC000876775570 634897623 /nfs/dbraw/zinc/89/76/23/634897623.db2.gz YJESTQOAXNFRRU-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)SC)C1 ZINC000876775570 634897627 /nfs/dbraw/zinc/89/76/27/634897627.db2.gz YJESTQOAXNFRRU-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)SC)C1 ZINC000876775570 634897631 /nfs/dbraw/zinc/89/76/31/634897631.db2.gz YJESTQOAXNFRRU-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876897137 634923625 /nfs/dbraw/zinc/92/36/25/634923625.db2.gz QAFNKVOYGDXFEU-RYUDHWBXSA-N 2 1 279.255 3.034 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000876923909 634929573 /nfs/dbraw/zinc/92/95/73/634929573.db2.gz HEOSWMYOWGZUAK-UHFFFAOYSA-N 2 1 295.858 3.132 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cn1 ZINC000876951886 634934766 /nfs/dbraw/zinc/93/47/66/634934766.db2.gz QOMDXUPOKMTKOP-OIISXLGYSA-N 2 1 296.418 3.102 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2ncccc12 ZINC000877527804 635072937 /nfs/dbraw/zinc/07/29/37/635072937.db2.gz RTTZBILAMVIOAV-UHFFFAOYSA-N 2 1 271.408 3.008 20 0 CGADMP CSC(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000877643231 635128404 /nfs/dbraw/zinc/12/84/04/635128404.db2.gz FJBGKMNSWREYNU-OAHLLOKOSA-N 2 1 284.513 3.230 20 0 CGADMP C=C/C=C\CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000878048071 635336914 /nfs/dbraw/zinc/33/69/14/635336914.db2.gz OBDITTNEFTUWKS-SREVYHEPSA-N 2 1 250.430 3.171 20 0 CGADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCCCCC[NH3+] ZINC000842472340 635378388 /nfs/dbraw/zinc/37/83/88/635378388.db2.gz WZTBMTSIFXCBAV-AEFFLSMTSA-N 2 1 290.451 3.358 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878148884 635379554 /nfs/dbraw/zinc/37/95/54/635379554.db2.gz RVGZFPZKJIDCEL-HUUCEWRRSA-N 2 1 288.426 3.476 20 0 CGADMP C[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CCC([NH3+])CC1 ZINC000843055096 635551205 /nfs/dbraw/zinc/55/12/05/635551205.db2.gz QVUGKONNTXTOPQ-UHFFFAOYSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000843062161 635555501 /nfs/dbraw/zinc/55/55/01/635555501.db2.gz MCWGZDSYKKIGOV-HZPDHXFCSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000843062161 635555505 /nfs/dbraw/zinc/55/55/05/635555505.db2.gz MCWGZDSYKKIGOV-HZPDHXFCSA-N 2 1 280.362 3.101 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCc2ccccc2C1 ZINC000843358122 635653604 /nfs/dbraw/zinc/65/36/04/635653604.db2.gz CSONXTSIKDXQAE-IBGZPJMESA-N 2 1 286.463 3.256 20 0 CGADMP FC(F)(F)c1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843358214 635653680 /nfs/dbraw/zinc/65/36/80/635653680.db2.gz DJNZGNYQKZDIHC-DOMZBBRYSA-N 2 1 298.352 3.452 20 0 CGADMP FC(F)(F)c1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843358214 635653687 /nfs/dbraw/zinc/65/36/87/635653687.db2.gz DJNZGNYQKZDIHC-DOMZBBRYSA-N 2 1 298.352 3.452 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1F ZINC000843358144 635654206 /nfs/dbraw/zinc/65/42/06/635654206.db2.gz FNGGIHMDWBKCDG-QGZVFWFLSA-N 2 1 294.389 3.491 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000879286174 635747095 /nfs/dbraw/zinc/74/70/95/635747095.db2.gz MLAAASLSDPUECQ-LBPRGKRZSA-N 2 1 293.282 3.377 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573681 635814488 /nfs/dbraw/zinc/81/44/88/635814488.db2.gz PORRWJJMPWNSEB-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC/C=C\c3ccccc3)CC[C@@H]21 ZINC000879578025 635815741 /nfs/dbraw/zinc/81/57/41/635815741.db2.gz AFRQRIWILTWBMH-FGZCHGLHSA-N 2 1 270.420 3.116 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC/C=C\c3ccccc3)CC[C@@H]21 ZINC000879578025 635815747 /nfs/dbraw/zinc/81/57/47/635815747.db2.gz AFRQRIWILTWBMH-FGZCHGLHSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC/C=C\c3ccccc3)CC[C@@H]21 ZINC000879578025 635815750 /nfs/dbraw/zinc/81/57/50/635815750.db2.gz AFRQRIWILTWBMH-FGZCHGLHSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)CC[C@@H]21 ZINC000879578025 635815754 /nfs/dbraw/zinc/81/57/54/635815754.db2.gz AFRQRIWILTWBMH-FGZCHGLHSA-N 2 1 270.420 3.116 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259390 635959217 /nfs/dbraw/zinc/95/92/17/635959217.db2.gz RSOZHYJAQPYTBS-KBPBESRZSA-N 2 1 297.393 3.274 20 0 CGADMP FC[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@@H](CF)C2)C1 ZINC000880297083 635968928 /nfs/dbraw/zinc/96/89/28/635968928.db2.gz IZKUESXHETVOMO-HOTGVXAUSA-N 2 1 288.426 3.130 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000880517626 636013573 /nfs/dbraw/zinc/01/35/73/636013573.db2.gz VJAIYZRRJSPIRW-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)s1 ZINC000846025476 636131179 /nfs/dbraw/zinc/13/11/79/636131179.db2.gz GXYVTTSOHPAFBH-WCQYABFASA-N 2 1 281.469 3.119 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000846217866 636161002 /nfs/dbraw/zinc/16/10/02/636161002.db2.gz HJQLXZBOAIEMNP-UHFFFAOYSA-N 2 1 266.816 3.217 20 0 CGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000846218727 636161027 /nfs/dbraw/zinc/16/10/27/636161027.db2.gz SBGNKGHTIXONIO-KRWDZBQOSA-N 2 1 290.451 3.221 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000846219287 636162051 /nfs/dbraw/zinc/16/20/51/636162051.db2.gz NCPMYKMGHOFYGW-HNNXBMFYSA-N 2 1 250.361 3.092 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC000846701449 636219285 /nfs/dbraw/zinc/21/92/85/636219285.db2.gz ALOPLRJCDMSQKF-PWSUYJOCSA-N 2 1 286.391 3.313 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000846701449 636219287 /nfs/dbraw/zinc/21/92/87/636219287.db2.gz ALOPLRJCDMSQKF-PWSUYJOCSA-N 2 1 286.391 3.313 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@H]2CCC[C@H]21 ZINC000883260129 636631349 /nfs/dbraw/zinc/63/13/49/636631349.db2.gz KVJZIFGTXOZPQN-FRRDWIJNSA-N 2 1 274.399 3.130 20 0 CGADMP FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883264939 636635083 /nfs/dbraw/zinc/63/50/83/636635083.db2.gz NWUNKOJFYZWYGR-HZSPNIEDSA-N 2 1 272.383 3.028 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C(C)(C)O1 ZINC000883430474 636753677 /nfs/dbraw/zinc/75/36/77/636753677.db2.gz VUEBFZPTPFJHGG-XHSDSOJGSA-N 2 1 294.483 3.044 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000086333583 636781040 /nfs/dbraw/zinc/78/10/40/636781040.db2.gz XRAJENFMRNEPHA-LLVKDONJSA-N 2 1 258.818 3.105 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000086333583 636781046 /nfs/dbraw/zinc/78/10/46/636781046.db2.gz XRAJENFMRNEPHA-LLVKDONJSA-N 2 1 258.818 3.105 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434408 637060722 /nfs/dbraw/zinc/06/07/22/637060722.db2.gz XMSGLULKXIQSBX-LSDHHAIUSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000215984144 637106471 /nfs/dbraw/zinc/10/64/71/637106471.db2.gz VECVBUPHYOMNSF-NEPJUHHUSA-N 2 1 266.454 3.215 20 0 CGADMP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850539060 637114020 /nfs/dbraw/zinc/11/40/20/637114020.db2.gz QCQIFBICEPTXDY-BHYGNILZSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850539060 637114026 /nfs/dbraw/zinc/11/40/26/637114026.db2.gz QCQIFBICEPTXDY-BHYGNILZSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000135377094 637126086 /nfs/dbraw/zinc/12/60/86/637126086.db2.gz JCBWSIGUEUYIEN-OAHLLOKOSA-N 2 1 283.419 3.055 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000885923148 637313225 /nfs/dbraw/zinc/31/32/25/637313225.db2.gz RHYZEVFNNTYSNM-CQSZACIVSA-N 2 1 295.858 3.337 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCc3cccc(C)n3)CC2)[nH+]c1C ZINC000886659299 637636964 /nfs/dbraw/zinc/63/69/64/637636964.db2.gz IVTAAGVZJICYBN-UHFFFAOYSA-N 2 1 298.434 3.152 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCC[C@@H]3CCOC3)CC2)[nH+]c1C ZINC000886659123 637637595 /nfs/dbraw/zinc/63/75/95/637637595.db2.gz DCVQXVZLUGQILN-OAHLLOKOSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)c3cccnc3)CC2)[nH+]c1C ZINC000886666670 637642105 /nfs/dbraw/zinc/64/21/05/637642105.db2.gz XSSFBFKMAOIBET-CQSZACIVSA-N 2 1 284.407 3.362 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@@H]21 ZINC000220348192 637658159 /nfs/dbraw/zinc/65/81/59/637658159.db2.gz VOCJGBUMLBHPIP-SCDSUCTJSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@@H]21 ZINC000220348192 637658168 /nfs/dbraw/zinc/65/81/68/637658168.db2.gz VOCJGBUMLBHPIP-SCDSUCTJSA-N 2 1 282.790 3.038 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000886773913 637683761 /nfs/dbraw/zinc/68/37/61/637683761.db2.gz DJHQUPDSYQBDKB-ULQDDVLXSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@H]1CCc2ccccc21 ZINC000852746854 637704652 /nfs/dbraw/zinc/70/46/52/637704652.db2.gz RXENOIGOEJYXIL-CSNJMZFVSA-N 2 1 284.447 3.451 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876210 637714979 /nfs/dbraw/zinc/71/49/79/637714979.db2.gz XMYXDPYFHKLQNK-CABCVRRESA-N 2 1 286.410 3.278 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867226 637715111 /nfs/dbraw/zinc/71/51/11/637715111.db2.gz AGCPAHPHKGLRAE-RDJZCZTQSA-N 2 1 258.409 3.213 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867227 637715783 /nfs/dbraw/zinc/71/57/83/637715783.db2.gz AGCPAHPHKGLRAE-WBVHZDCISA-N 2 1 258.409 3.213 20 0 CGADMP [NH3+]CCC[N@@H+](CCC1SCCS1)Cc1ccccc1 ZINC000853023278 637736824 /nfs/dbraw/zinc/73/68/24/637736824.db2.gz RHPQUEGGPDEOKW-UHFFFAOYSA-N 2 1 296.505 3.034 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000887134753 637755723 /nfs/dbraw/zinc/75/57/23/637755723.db2.gz PRARKXVZDWMCHV-KBPBESRZSA-N 2 1 295.377 3.028 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000300129753 637821280 /nfs/dbraw/zinc/82/12/80/637821280.db2.gz QKYUFILVMBRECG-WMZOPIPTSA-N 2 1 292.467 3.162 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000854224491 638026315 /nfs/dbraw/zinc/02/63/15/638026315.db2.gz YBEJVVXCOXWPFO-GFCCVEGCSA-N 2 1 250.361 3.056 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000274294247 638219818 /nfs/dbraw/zinc/21/98/18/638219818.db2.gz RRHRXRPFLZJZDO-ZWKOTPCHSA-N 2 1 284.447 3.420 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@@H+]1CCC[C@H](C)C1 ZINC000924667262 638385876 /nfs/dbraw/zinc/38/58/76/638385876.db2.gz KRXMJOVEUSAYOU-BLNMRFBMSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@H+]1CCC[C@H](C)C1 ZINC000924667262 638385881 /nfs/dbraw/zinc/38/58/81/638385881.db2.gz KRXMJOVEUSAYOU-BLNMRFBMSA-N 2 1 282.497 3.123 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924861920 638416631 /nfs/dbraw/zinc/41/66/31/638416631.db2.gz OXTWNZBUFGWHIF-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010881 638436693 /nfs/dbraw/zinc/43/66/93/638436693.db2.gz ONRIVMZFPIQOKC-GJZGRUSLSA-N 2 1 299.418 3.334 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(-c2ccccc2)no1 ZINC000925010881 638436703 /nfs/dbraw/zinc/43/67/03/638436703.db2.gz ONRIVMZFPIQOKC-GJZGRUSLSA-N 2 1 299.418 3.334 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@@H]2CCC[C@@H]21 ZINC000857080654 638453608 /nfs/dbraw/zinc/45/36/08/638453608.db2.gz KBGASCHNPRYWSW-VOAKCMCISA-N 2 1 291.266 3.033 20 0 CGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000925583439 638536776 /nfs/dbraw/zinc/53/67/76/638536776.db2.gz LCQGQSHVLWJILV-VXGBXAGGSA-N 2 1 279.453 3.016 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccns2)C1 ZINC000925588665 638538709 /nfs/dbraw/zinc/53/87/09/638538709.db2.gz SCPDYMCMIIPPOO-ZIAGYGMSSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccns2)C1 ZINC000925588665 638538721 /nfs/dbraw/zinc/53/87/21/638538721.db2.gz SCPDYMCMIIPPOO-ZIAGYGMSSA-N 2 1 281.469 3.162 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751913 638595837 /nfs/dbraw/zinc/59/58/37/638595837.db2.gz QXORWNBNBOGTHT-SCRDCRAPSA-N 2 1 293.480 3.175 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1F ZINC000925782453 638612280 /nfs/dbraw/zinc/61/22/80/638612280.db2.gz LSQNZCUXSIQCTL-RISCZKNCSA-N 2 1 286.341 3.111 20 0 CGADMP CCC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCC1 ZINC000925789601 638613861 /nfs/dbraw/zinc/61/38/61/638613861.db2.gz ALACINVFZHGGFI-SJORKVTESA-N 2 1 294.483 3.094 20 0 CGADMP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925827778 638624219 /nfs/dbraw/zinc/62/42/19/638624219.db2.gz TWXZHFXQAGCDML-KJFZJZGVSA-N 2 1 298.430 3.306 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000858157985 638646562 /nfs/dbraw/zinc/64/65/62/638646562.db2.gz XEEJIZLOOSZBTK-GXTWGEPZSA-N 2 1 293.480 3.291 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000858157985 638646565 /nfs/dbraw/zinc/64/65/65/638646565.db2.gz XEEJIZLOOSZBTK-GXTWGEPZSA-N 2 1 293.480 3.291 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)nc1 ZINC000858490489 638740753 /nfs/dbraw/zinc/74/07/53/638740753.db2.gz ILMXOODDQOLALN-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)nc1 ZINC000858490489 638740757 /nfs/dbraw/zinc/74/07/57/638740757.db2.gz ILMXOODDQOLALN-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926446292 638772755 /nfs/dbraw/zinc/77/27/55/638772755.db2.gz COJOIPDAPAJMMR-JKSUJKDBSA-N 2 1 291.483 3.128 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926446292 638772756 /nfs/dbraw/zinc/77/27/56/638772756.db2.gz COJOIPDAPAJMMR-JKSUJKDBSA-N 2 1 291.483 3.128 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926572382 638786808 /nfs/dbraw/zinc/78/68/08/638786808.db2.gz HHKYZTUKHDKODI-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926572383 638786948 /nfs/dbraw/zinc/78/69/48/638786948.db2.gz HHKYZTUKHDKODI-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP COC/C(C)=C\C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000929507931 638929664 /nfs/dbraw/zinc/92/96/64/638929664.db2.gz BKSJSOPXOCEIRX-XUKORKDYSA-N 2 1 294.483 3.167 20 0 CGADMP COC/C(C)=C\C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000929507931 638929667 /nfs/dbraw/zinc/92/96/67/638929667.db2.gz BKSJSOPXOCEIRX-XUKORKDYSA-N 2 1 294.483 3.167 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933082815 639414336 /nfs/dbraw/zinc/41/43/36/639414336.db2.gz ZEPPQYZQENTOAZ-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP CC(C)[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548480 639459789 /nfs/dbraw/zinc/45/97/89/639459789.db2.gz CBZRVLLLVVSSGS-UHFFFAOYSA-N 2 1 272.436 3.482 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C)cc2)C1 ZINC000081571266 640542826 /nfs/dbraw/zinc/54/28/26/640542826.db2.gz BNVOCOQOEDAAMT-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C)cc2)C1 ZINC000081571266 640542832 /nfs/dbraw/zinc/54/28/32/640542832.db2.gz BNVOCOQOEDAAMT-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000081571266 640542838 /nfs/dbraw/zinc/54/28/38/640542838.db2.gz BNVOCOQOEDAAMT-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000081571266 640542848 /nfs/dbraw/zinc/54/28/48/640542848.db2.gz BNVOCOQOEDAAMT-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)cn1 ZINC000092562485 640740321 /nfs/dbraw/zinc/74/03/21/640740321.db2.gz AIJYKFOFVNOGET-HOCLYGCPSA-N 2 1 298.434 3.492 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000252092031 640837509 /nfs/dbraw/zinc/83/75/09/640837509.db2.gz DUQVHJHVKJUJPA-WZYMTQMTSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])C(C)(C)c1ccnc(Cl)c1 ZINC001156124351 805655636 /nfs/dbraw/zinc/65/56/36/805655636.db2.gz HAXWQQPBMBOQJT-UHFFFAOYSA-N 2 1 269.820 3.029 20 0 CGADMP c1cc(N2CCCC2)cc2[nH+]c(CC[NH+]3CCCCC3)[nH]c12 ZINC001250616884 805727203 /nfs/dbraw/zinc/72/72/03/805727203.db2.gz JSSJQMDXSOLNSV-UHFFFAOYSA-N 2 1 298.434 3.192 20 0 CGADMP Cc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001158259687 805929601 /nfs/dbraw/zinc/92/96/01/805929601.db2.gz QQHVFYKFLWPZMB-BBRMVZONSA-N 2 1 261.413 3.346 20 0 CGADMP CCc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc(C)[nH+]1 ZINC001159397933 806094597 /nfs/dbraw/zinc/09/45/97/806094597.db2.gz UFPFIWMSVGDPFM-UHFFFAOYSA-N 2 1 290.455 3.411 20 0 CGADMP COc1cc(NCc2ccccc2C[NH3+])[nH+]c2ccccc21 ZINC001160907106 806318828 /nfs/dbraw/zinc/31/88/28/806318828.db2.gz JYKRBBIPNPQEPD-UHFFFAOYSA-N 2 1 293.370 3.314 20 0 CGADMP C[N@H+]1CCC[C@H](n2cc(CCC[NH3+])c3ccccc32)CC1 ZINC001254500815 806421591 /nfs/dbraw/zinc/42/15/91/806421591.db2.gz LERWXHNCAUVGJU-INIZCTEOSA-N 2 1 285.435 3.189 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC001254500959 806421838 /nfs/dbraw/zinc/42/18/38/806421838.db2.gz ZXYZIIVPSMOILJ-MRXNPFEDSA-N 2 1 280.843 3.347 20 0 CGADMP COc1ccc([C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C2CC2)cc1 ZINC001254506221 806424582 /nfs/dbraw/zinc/42/45/82/806424582.db2.gz PJJHXRGDBSSRBG-WMZOPIPTSA-N 2 1 288.435 3.220 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c(Cl)c1 ZINC001254505502 806424640 /nfs/dbraw/zinc/42/46/40/806424640.db2.gz HMOMGJXZBGFJJG-CQSZACIVSA-N 2 1 266.816 3.222 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c(Cl)c1 ZINC001254505502 806424647 /nfs/dbraw/zinc/42/46/47/806424647.db2.gz HMOMGJXZBGFJJG-CQSZACIVSA-N 2 1 266.816 3.222 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC001254507576 806427887 /nfs/dbraw/zinc/42/78/87/806427887.db2.gz CJOPVQDBJKSPGC-GUYCJALGSA-N 2 1 276.399 3.277 20 0 CGADMP Cc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254511015 806430052 /nfs/dbraw/zinc/43/00/52/806430052.db2.gz ZPYATRWKZQBNEE-ZFWWWQNUSA-N 2 1 264.388 3.269 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cc(F)cc(F)c1 ZINC001254512025 806433252 /nfs/dbraw/zinc/43/32/52/806433252.db2.gz IPPPGSRVCSRWCT-JKSUJKDBSA-N 2 1 282.378 3.490 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)CCC2 ZINC001254513659 806434988 /nfs/dbraw/zinc/43/49/88/806434988.db2.gz FOGBANQJIHSURO-SJLPKXTDSA-N 2 1 272.436 3.446 20 0 CGADMP COc1cccc([C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C2CC2)c1 ZINC001254515531 806435877 /nfs/dbraw/zinc/43/58/77/806435877.db2.gz XYMSYFUXRADFRO-SJLPKXTDSA-N 2 1 288.435 3.220 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C(C)(C)C)CC2)CC1 ZINC001254516383 806435996 /nfs/dbraw/zinc/43/59/96/806435996.db2.gz MFXATZXZZIWBFZ-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254523781 806439874 /nfs/dbraw/zinc/43/98/74/806439874.db2.gz ROQRBKZWESQNCG-DOTOQJQBSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254523781 806439878 /nfs/dbraw/zinc/43/98/78/806439878.db2.gz ROQRBKZWESQNCG-DOTOQJQBSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254523781 806439881 /nfs/dbraw/zinc/43/98/81/806439881.db2.gz ROQRBKZWESQNCG-DOTOQJQBSA-N 2 1 288.435 3.316 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(c3cccc(O)c3)CC2)CC1 ZINC001254528994 806441361 /nfs/dbraw/zinc/44/13/61/806441361.db2.gz BNJZRBHYOZPOSM-KRWDZBQOSA-N 2 1 288.435 3.056 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH+](C)CC2)cc1C ZINC001254531891 806444282 /nfs/dbraw/zinc/44/42/82/806444282.db2.gz MQNROZBMDBOHOZ-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CCC[N@H+](C)CC2)cc1C ZINC001254531891 806444285 /nfs/dbraw/zinc/44/42/85/806444285.db2.gz MQNROZBMDBOHOZ-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CCC[N@@H+](C)CC2)cc1C ZINC001254531891 806444287 /nfs/dbraw/zinc/44/42/87/806444287.db2.gz MQNROZBMDBOHOZ-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CCSCC2)CC1 ZINC001255087316 806539479 /nfs/dbraw/zinc/53/94/79/806539479.db2.gz GRGTZMVVVCRIKT-CTYIDZIISA-N 2 1 282.497 3.397 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCSCC1 ZINC001255094401 806541243 /nfs/dbraw/zinc/54/12/43/806541243.db2.gz WJMXSYRAQWUDQQ-HOTGVXAUSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCSCC1 ZINC001255094401 806541249 /nfs/dbraw/zinc/54/12/49/806541249.db2.gz WJMXSYRAQWUDQQ-HOTGVXAUSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCSCC1 ZINC001255094401 806541254 /nfs/dbraw/zinc/54/12/54/806541254.db2.gz WJMXSYRAQWUDQQ-HOTGVXAUSA-N 2 1 282.497 3.221 20 0 CGADMP CC(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123998 806548994 /nfs/dbraw/zinc/54/89/94/806548994.db2.gz YVHLLXRDLGDPCC-OSYLJGHBSA-N 2 1 258.409 3.180 20 0 CGADMP CCCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001255325953 806613795 /nfs/dbraw/zinc/61/37/95/806613795.db2.gz LQSXNJLBHNHWME-OAHLLOKOSA-N 2 1 292.471 3.118 20 0 CGADMP CCCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001255325953 806613800 /nfs/dbraw/zinc/61/38/00/806613800.db2.gz LQSXNJLBHNHWME-OAHLLOKOSA-N 2 1 292.471 3.118 20 0 CGADMP CCCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001255325953 806613803 /nfs/dbraw/zinc/61/38/03/806613803.db2.gz LQSXNJLBHNHWME-OAHLLOKOSA-N 2 1 292.471 3.118 20 0 CGADMP CCCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001255325953 806613809 /nfs/dbraw/zinc/61/38/09/806613809.db2.gz LQSXNJLBHNHWME-OAHLLOKOSA-N 2 1 292.471 3.118 20 0 CGADMP c1coc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255383404 806631041 /nfs/dbraw/zinc/63/10/41/806631041.db2.gz IWGKNUGOPKBKJU-GOSISDBHSA-N 2 1 298.430 3.466 20 0 CGADMP C[C@H]([NH3+])c1ccn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255393561 806633669 /nfs/dbraw/zinc/63/36/69/806633669.db2.gz OVIDAOGQIBUVCL-RDJZCZTQSA-N 2 1 298.434 3.130 20 0 CGADMP C[N@H+]1CCC[C@H](n2cc(C[NH3+])c3cc(Cl)ccc32)C1 ZINC001255471824 806647229 /nfs/dbraw/zinc/64/72/29/806647229.db2.gz HPOTUYLCORZUHK-ZDUSSCGKSA-N 2 1 277.799 3.020 20 0 CGADMP COC[C@@H](C)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255562639 806674137 /nfs/dbraw/zinc/67/41/37/806674137.db2.gz MHQIAYPUIFIJHN-DJIMGWMZSA-N 2 1 282.472 3.174 20 0 CGADMP CC(C)c1ccc(NC2CC3(C2)CCC[NH2+]C3)[nH+]c1 ZINC001162982165 806689270 /nfs/dbraw/zinc/68/92/70/806689270.db2.gz QGYOVRHBXZCMAD-UHFFFAOYSA-N 2 1 259.397 3.149 20 0 CGADMP Cc1ncccc1[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255672314 806701260 /nfs/dbraw/zinc/70/12/60/806701260.db2.gz AQCZHYGAJPYFOF-RGPMPMONSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ncccc1[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255672314 806701266 /nfs/dbraw/zinc/70/12/66/806701266.db2.gz AQCZHYGAJPYFOF-RGPMPMONSA-N 2 1 299.462 3.446 20 0 CGADMP CCC1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255675007 806702440 /nfs/dbraw/zinc/70/24/40/806702440.db2.gz XBOVSZDNOACGQD-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CCC1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255675007 806702445 /nfs/dbraw/zinc/70/24/45/806702445.db2.gz XBOVSZDNOACGQD-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CC(C)C1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255681430 806704150 /nfs/dbraw/zinc/70/41/50/806704150.db2.gz VDPYEZQVXNJIIS-SJPCQFCGSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255681430 806704153 /nfs/dbraw/zinc/70/41/53/806704153.db2.gz VDPYEZQVXNJIIS-SJPCQFCGSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000094901358 798972331 /nfs/dbraw/zinc/97/23/31/798972331.db2.gz KRDOVFGVNOUFMQ-YJBOKZPZSA-N 2 1 274.452 3.444 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC000149459221 799051997 /nfs/dbraw/zinc/05/19/97/799051997.db2.gz IDDNCIOHZGMSHR-JKSUJKDBSA-N 2 1 264.388 3.118 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)F)c2)CC[N@H+]1C ZINC000156035833 799064687 /nfs/dbraw/zinc/06/46/87/799064687.db2.gz JCXGWYOQKUGSME-FZMZJTMJSA-N 2 1 268.351 3.197 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255714280 806715223 /nfs/dbraw/zinc/71/52/23/806715223.db2.gz RMOZTUSBTXQEEF-ZIAGYGMSSA-N 2 1 292.389 3.381 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000381162110 799373019 /nfs/dbraw/zinc/37/30/19/799373019.db2.gz GXCRMDUQPWHTDH-GFCCVEGCSA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000381162110 799373022 /nfs/dbraw/zinc/37/30/22/799373022.db2.gz GXCRMDUQPWHTDH-GFCCVEGCSA-N 2 1 270.779 3.040 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001255773691 806745083 /nfs/dbraw/zinc/74/50/83/806745083.db2.gz OVLXCTQVTSFIET-KRWDZBQOSA-N 2 1 282.431 3.387 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001255773691 806745087 /nfs/dbraw/zinc/74/50/87/806745087.db2.gz OVLXCTQVTSFIET-KRWDZBQOSA-N 2 1 282.431 3.387 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398355236 799530104 /nfs/dbraw/zinc/53/01/04/799530104.db2.gz HPGPBZGZCGXVMO-DBDQLMEASA-N 2 1 284.447 3.285 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398355236 799530111 /nfs/dbraw/zinc/53/01/11/799530111.db2.gz HPGPBZGZCGXVMO-DBDQLMEASA-N 2 1 284.447 3.285 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400505321 799547947 /nfs/dbraw/zinc/54/79/47/799547947.db2.gz HJIQVTOWWHPJAL-LALPHHSUSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[Si](C)(C)C ZINC000401529754 799556183 /nfs/dbraw/zinc/55/61/83/799556183.db2.gz AFGOBJINFPIHSG-DOTOQJQBSA-N 2 1 290.527 3.364 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[Si](C)(C)C ZINC000401529754 799556186 /nfs/dbraw/zinc/55/61/86/799556186.db2.gz AFGOBJINFPIHSG-DOTOQJQBSA-N 2 1 290.527 3.364 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001255834048 806762425 /nfs/dbraw/zinc/76/24/25/806762425.db2.gz AGGMOAIIQLYBFN-JQFCIGGWSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687950649 799741069 /nfs/dbraw/zinc/74/10/69/799741069.db2.gz YWQASWCPPYKBCS-SMDDNHRTSA-N 2 1 264.438 3.014 20 0 CGADMP C[N@@H+](C[C@H]1CC2CCC1CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000691677107 799786265 /nfs/dbraw/zinc/78/62/65/799786265.db2.gz MKXUROIBEOJSIP-BFXHPWLCSA-N 2 1 262.441 3.028 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001255867447 806775722 /nfs/dbraw/zinc/77/57/22/806775722.db2.gz BIFAEDARRDZJRN-OAHLLOKOSA-N 2 1 290.426 3.317 20 0 CGADMP CCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000697746217 799848625 /nfs/dbraw/zinc/84/86/25/799848625.db2.gz ACWDAKJWJUCYLY-NEPJUHHUSA-N 2 1 266.351 3.026 20 0 CGADMP C[N@H+](Cc1ccc(Cl)s1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699292603 799859751 /nfs/dbraw/zinc/85/97/51/799859751.db2.gz WXJLIGKBIGKQGT-YOGCLGLASA-N 2 1 284.856 3.364 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700827722 799881759 /nfs/dbraw/zinc/88/17/59/799881759.db2.gz XXTHFDDBEWSMTI-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700827722 799881765 /nfs/dbraw/zinc/88/17/65/799881765.db2.gz XXTHFDDBEWSMTI-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](CCC[NH3+])C1CCCCC1 ZINC001255940436 806789951 /nfs/dbraw/zinc/78/99/51/806789951.db2.gz BZOJLWFAEAJEDD-MRXNPFEDSA-N 3 1 283.504 3.090 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001255940436 806789955 /nfs/dbraw/zinc/78/99/55/806789955.db2.gz BZOJLWFAEAJEDD-MRXNPFEDSA-N 3 1 283.504 3.090 20 0 CGADMP C[N@@H+](Cc1c(F)ccc(F)c1Cl)CC1CC[NH2+]CC1 ZINC000705545048 799950138 /nfs/dbraw/zinc/95/01/38/799950138.db2.gz BLIKJGJHJNTVNA-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP C[N@H+](Cc1c(F)ccc(F)c1Cl)CC1CC[NH2+]CC1 ZINC000705545048 799950143 /nfs/dbraw/zinc/95/01/43/799950143.db2.gz BLIKJGJHJNTVNA-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)C(C)C ZINC000706466328 799961703 /nfs/dbraw/zinc/96/17/03/799961703.db2.gz FPHBJZPGZGLBTH-WZYMTQMTSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H](C)C(C)C ZINC000707122442 799974005 /nfs/dbraw/zinc/97/40/05/799974005.db2.gz OULLNANZVPYQPV-GFCCVEGCSA-N 2 1 266.454 3.260 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC(C)(C)C1 ZINC000708311312 799985529 /nfs/dbraw/zinc/98/55/29/799985529.db2.gz OSIJRILALFKWTE-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708848597 799996544 /nfs/dbraw/zinc/99/65/44/799996544.db2.gz FZYUHGDTKXQEBN-ZACQAIPSSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC001255954186 806796692 /nfs/dbraw/zinc/79/66/92/806796692.db2.gz ASYVBIFUSVRRGP-BBRMVZONSA-N 2 1 276.424 3.090 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC001255957342 806798049 /nfs/dbraw/zinc/79/80/49/806798049.db2.gz QPSYOCKECXNBPG-OLZOCXBDSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001255957342 806798052 /nfs/dbraw/zinc/79/80/52/806798052.db2.gz QPSYOCKECXNBPG-OLZOCXBDSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001255958198 806799908 /nfs/dbraw/zinc/79/99/08/806799908.db2.gz ZKYLMLQIAPYRQN-OAGGEKHMSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001255958089 806799961 /nfs/dbraw/zinc/79/99/61/806799961.db2.gz YNGBCYLXPSQVHZ-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC001255970321 806802308 /nfs/dbraw/zinc/80/23/08/806802308.db2.gz CFAWWRMRWLKQGL-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C=C/C=C/CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000713678832 800113336 /nfs/dbraw/zinc/11/33/36/800113336.db2.gz MJJWUIRLCKOXSU-ONEGZZNKSA-N 2 1 270.420 3.373 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000714316161 800119186 /nfs/dbraw/zinc/11/91/86/800119186.db2.gz QIOUKYVYZHILSV-HYVNUMGLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)[C@@H]1CCC[NH3+] ZINC000714329037 800119575 /nfs/dbraw/zinc/11/95/75/800119575.db2.gz FBXBSLBGAKKHFE-OWCLPIDISA-N 2 1 282.472 3.174 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000714753752 800127921 /nfs/dbraw/zinc/12/79/21/800127921.db2.gz GOMGUYWWBPFFON-UHFFFAOYSA-N 2 1 252.789 3.043 20 0 CGADMP FCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624989 800177080 /nfs/dbraw/zinc/17/70/80/800177080.db2.gz JXEADJKNGPAOJM-KSZLIROESA-N 2 1 290.426 3.379 20 0 CGADMP Clc1cccc([C@@H]2C[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256069142 806809941 /nfs/dbraw/zinc/80/99/41/806809941.db2.gz SAEXEQZXZNHHOS-IRXDYDNUSA-N 2 1 290.838 3.412 20 0 CGADMP Cc1ccccc1C(C)(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071507 806811618 /nfs/dbraw/zinc/81/16/18/806811618.db2.gz BBCVNYJYZLPJDY-UHFFFAOYSA-N 2 1 272.436 3.447 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256077118 806812955 /nfs/dbraw/zinc/81/29/55/806812955.db2.gz MIPLDNHZZNDAER-UHFFFAOYSA-N 2 1 278.827 3.399 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256077118 806812964 /nfs/dbraw/zinc/81/29/64/806812964.db2.gz MIPLDNHZZNDAER-UHFFFAOYSA-N 2 1 278.827 3.399 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC000720806186 800267407 /nfs/dbraw/zinc/26/74/07/800267407.db2.gz PERFDWAWISKQGI-STQMWFEESA-N 2 1 278.362 3.026 20 0 CGADMP CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000720970434 800274546 /nfs/dbraw/zinc/27/45/46/800274546.db2.gz RUZQNCWFROXPRW-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723563948 800330111 /nfs/dbraw/zinc/33/01/11/800330111.db2.gz BQACMUXEYAXBAI-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723853188 800340012 /nfs/dbraw/zinc/34/00/12/800340012.db2.gz JCCRRGRJPQWTKJ-KYOSRNDESA-N 2 1 266.816 3.318 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723882242 800342426 /nfs/dbraw/zinc/34/24/26/800342426.db2.gz HBKFSBVKKQRNBD-TZMCWYRMSA-N 2 1 272.392 3.158 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1CC[NH3+] ZINC000723921038 800344135 /nfs/dbraw/zinc/34/41/35/800344135.db2.gz CZRMRRHEMXINPC-BXUZGUMPSA-N 2 1 268.351 3.041 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1Cl ZINC001256200332 806846763 /nfs/dbraw/zinc/84/67/63/806846763.db2.gz QXYDEYDJJFCBQN-LBPRGKRZSA-N 2 1 266.816 3.393 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)CC1 ZINC001256201981 806849032 /nfs/dbraw/zinc/84/90/32/806849032.db2.gz VKXTZXCGJWQDBV-OKILXGFUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C)c1C ZINC001256201374 806849287 /nfs/dbraw/zinc/84/92/87/806849287.db2.gz HVLISPDAJUVYQS-QGZVFWFLSA-N 2 1 260.425 3.438 20 0 CGADMP Cc1ccc(NCc2cccc(C[NH+](C)C)c2)[nH+]c1 ZINC001163988144 806869909 /nfs/dbraw/zinc/86/99/09/806869909.db2.gz IARILJAVPGBMII-UHFFFAOYSA-N 2 1 255.365 3.064 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001256433136 806896749 /nfs/dbraw/zinc/89/67/49/806896749.db2.gz KEZHBDRKIHYWIH-ADKAHSJRSA-N 2 1 294.483 3.188 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001256433136 806896756 /nfs/dbraw/zinc/89/67/56/806896756.db2.gz KEZHBDRKIHYWIH-ADKAHSJRSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536163 806910702 /nfs/dbraw/zinc/91/07/02/806910702.db2.gz FNEJLLFKGUHVIG-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[N@@H+](CCOC)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536163 806910705 /nfs/dbraw/zinc/91/07/05/806910705.db2.gz FNEJLLFKGUHVIG-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+](CCOC)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536163 806910710 /nfs/dbraw/zinc/91/07/10/806910710.db2.gz FNEJLLFKGUHVIG-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+](CCOC)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256536163 806910715 /nfs/dbraw/zinc/91/07/15/806910715.db2.gz FNEJLLFKGUHVIG-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP Cc1cc(Cl)cc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC001164212911 806917034 /nfs/dbraw/zinc/91/70/34/806917034.db2.gz JYTKTXDUZWZFHB-UHFFFAOYSA-N 2 1 295.858 3.086 20 0 CGADMP Cc1cc2c(cn1)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256566151 806917987 /nfs/dbraw/zinc/91/79/87/806917987.db2.gz QJHNFFOOCJALCG-KRWDZBQOSA-N 2 1 287.451 3.230 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001256572472 806920025 /nfs/dbraw/zinc/92/00/25/806920025.db2.gz SODZSUPGMBUDBB-INIZCTEOSA-N 2 1 287.451 3.134 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001256619854 806927580 /nfs/dbraw/zinc/92/75/80/806927580.db2.gz KDVCTAKOHKMFSE-MMNRESRNSA-N 2 1 285.435 3.056 20 0 CGADMP FCC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256611453 806925034 /nfs/dbraw/zinc/92/50/34/806925034.db2.gz SGHTXUPXSBYCLR-UHFFFAOYSA-N 2 1 290.426 3.333 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001256616532 806925800 /nfs/dbraw/zinc/92/58/00/806925800.db2.gz UXSVYCHMRZAAFU-BTFYYFJDSA-N 2 1 286.419 3.033 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001256616532 806925805 /nfs/dbraw/zinc/92/58/05/806925805.db2.gz UXSVYCHMRZAAFU-BTFYYFJDSA-N 2 1 286.419 3.033 20 0 CGADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001256622370 806928215 /nfs/dbraw/zinc/92/82/15/806928215.db2.gz HSYWMASORLTTRP-JTUUTPGSSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001256622370 806928216 /nfs/dbraw/zinc/92/82/16/806928216.db2.gz HSYWMASORLTTRP-JTUUTPGSSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001256622370 806928223 /nfs/dbraw/zinc/92/82/23/806928223.db2.gz HSYWMASORLTTRP-JTUUTPGSSA-N 2 1 270.420 3.231 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001256628484 806931896 /nfs/dbraw/zinc/93/18/96/806931896.db2.gz GGWPAPUCQGDSNU-UJJTZGENSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001256628484 806931897 /nfs/dbraw/zinc/93/18/97/806931897.db2.gz GGWPAPUCQGDSNU-UJJTZGENSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001256628484 806931900 /nfs/dbraw/zinc/93/19/00/806931900.db2.gz GGWPAPUCQGDSNU-UJJTZGENSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001256628484 806931901 /nfs/dbraw/zinc/93/19/01/806931901.db2.gz GGWPAPUCQGDSNU-UJJTZGENSA-N 2 1 285.435 3.152 20 0 CGADMP C[C@H](Cc1ccncc1)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001256728192 806961159 /nfs/dbraw/zinc/96/11/59/806961159.db2.gz GUZMBNJLRYGJNV-DLBZAZTESA-N 2 1 297.446 3.110 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccncc2)CC1 ZINC001256752749 806972461 /nfs/dbraw/zinc/97/24/61/806972461.db2.gz FHDYQPKDOQVAEU-MRXNPFEDSA-N 2 1 289.467 3.209 20 0 CGADMP Fc1ccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001116507529 802368777 /nfs/dbraw/zinc/36/87/77/802368777.db2.gz OSYLPRAHXDNFDM-UHFFFAOYSA-N 2 1 290.426 3.319 20 0 CGADMP CS[C@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC001116708840 802400570 /nfs/dbraw/zinc/40/05/70/802400570.db2.gz BGHZKEQCXBTKEV-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP C[C@H]([NH2+]C/C=C\C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001117713832 802480298 /nfs/dbraw/zinc/48/02/98/802480298.db2.gz YJPSSMDEKVSGPB-JLXOXMNXSA-N 2 1 284.447 3.453 20 0 CGADMP c1ccc(OCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001117946363 802513381 /nfs/dbraw/zinc/51/33/81/802513381.db2.gz XOVOLHKXNRTJNE-SJORKVTESA-N 2 1 288.435 3.062 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC001118121196 802526652 /nfs/dbraw/zinc/52/66/52/802526652.db2.gz BIGATHUJFHAJFG-VXGBXAGGSA-N 2 1 286.366 3.245 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc2ncccc12 ZINC001119246109 802637949 /nfs/dbraw/zinc/63/79/49/802637949.db2.gz YBWKQGDZLSOGRE-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ncccc12 ZINC001119246109 802637955 /nfs/dbraw/zinc/63/79/55/802637955.db2.gz YBWKQGDZLSOGRE-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ncccc12 ZINC001119246109 802637956 /nfs/dbraw/zinc/63/79/56/802637956.db2.gz YBWKQGDZLSOGRE-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2ncccc12 ZINC001119246109 802637962 /nfs/dbraw/zinc/63/79/62/802637962.db2.gz YBWKQGDZLSOGRE-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2ncccc12 ZINC001119246109 802637967 /nfs/dbraw/zinc/63/79/67/802637967.db2.gz YBWKQGDZLSOGRE-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC001120020217 802725770 /nfs/dbraw/zinc/72/57/70/802725770.db2.gz LDEYFINMJOBEGT-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC001120020217 802725773 /nfs/dbraw/zinc/72/57/73/802725773.db2.gz LDEYFINMJOBEGT-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc(C)c(C)c1 ZINC001181505376 810056965 /nfs/dbraw/zinc/05/69/65/810056965.db2.gz DXIYMNXUCIKTRK-UHFFFAOYSA-N 2 1 285.435 3.373 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc(C)c(C)c1 ZINC001181505376 810056968 /nfs/dbraw/zinc/05/69/68/810056968.db2.gz DXIYMNXUCIKTRK-UHFFFAOYSA-N 2 1 285.435 3.373 20 0 CGADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256894488 807001060 /nfs/dbraw/zinc/00/10/60/807001060.db2.gz KSEUBSRHIFEYCQ-UONOGXRCSA-N 2 1 286.410 3.418 20 0 CGADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256894488 807001066 /nfs/dbraw/zinc/00/10/66/807001066.db2.gz KSEUBSRHIFEYCQ-UONOGXRCSA-N 2 1 286.410 3.418 20 0 CGADMP CCCCOCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901181 807002404 /nfs/dbraw/zinc/00/24/04/807002404.db2.gz DUBQBZHYJRNPRQ-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP CCCCOCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901181 807002411 /nfs/dbraw/zinc/00/24/11/807002411.db2.gz DUBQBZHYJRNPRQ-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccn2Cc2ccccc2)CC1 ZINC001205280508 812928378 /nfs/dbraw/zinc/92/83/78/812928378.db2.gz AYIKEDAYWBOUER-LJQANCHMSA-N 2 1 297.446 3.240 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1C ZINC001205281342 812928734 /nfs/dbraw/zinc/92/87/34/812928734.db2.gz STTQJHOUINYQOF-QGZVFWFLSA-N 2 1 260.425 3.315 20 0 CGADMP COc1cc(C)[nH+]cc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245356383 803710705 /nfs/dbraw/zinc/71/07/05/803710705.db2.gz MVPQWHSWGJOAQP-MRXNPFEDSA-N 2 1 268.360 3.490 20 0 CGADMP Cc1cc(N2CC[NH+](Cc3cccc(C)c3F)CC2)cc[nH+]1 ZINC001137679914 803757299 /nfs/dbraw/zinc/75/72/99/803757299.db2.gz CHHOSIPVLHJZTM-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc4ccccc4s3)C[C@H]2C1 ZINC001137687847 803759901 /nfs/dbraw/zinc/75/99/01/803759901.db2.gz FWZGBFMPUOLWTG-HUUCEWRRSA-N 2 1 286.444 3.285 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062697 803846850 /nfs/dbraw/zinc/84/68/50/803846850.db2.gz WSWXDDJJZNXTRS-CRAIPNDOSA-N 2 1 296.414 3.071 20 0 CGADMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062697 803846857 /nfs/dbraw/zinc/84/68/57/803846857.db2.gz WSWXDDJJZNXTRS-CRAIPNDOSA-N 2 1 296.414 3.071 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062697 803846867 /nfs/dbraw/zinc/84/68/67/803846867.db2.gz WSWXDDJJZNXTRS-CRAIPNDOSA-N 2 1 296.414 3.071 20 0 CGADMP CC[N@@H+](C)C1CCN(Cc2[nH]c3ccccc3c2C)CC1 ZINC001138399776 803917188 /nfs/dbraw/zinc/91/71/88/803917188.db2.gz CEODPYRTVFNOMC-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3[nH]c4ccccc4c3C)C[C@@H]2C1 ZINC001138401650 803917389 /nfs/dbraw/zinc/91/73/89/803917389.db2.gz SLUAHCKRXMMABN-HOTGVXAUSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](C)C2)cc1 ZINC001138544220 803962912 /nfs/dbraw/zinc/96/29/12/803962912.db2.gz DTLONSSGMVLPRL-ZDUSSCGKSA-N 2 1 255.365 3.023 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001138544220 803962918 /nfs/dbraw/zinc/96/29/18/803962918.db2.gz DTLONSSGMVLPRL-ZDUSSCGKSA-N 2 1 255.365 3.023 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC(C)(C)C2)cc1 ZINC001138542688 803963380 /nfs/dbraw/zinc/96/33/80/803963380.db2.gz FEUNIMMYOCXDFU-UHFFFAOYSA-N 2 1 255.365 3.023 20 0 CGADMP CCCCC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138768806 804035657 /nfs/dbraw/zinc/03/56/57/804035657.db2.gz BNYGDIVNASFTRG-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246077240 804116646 /nfs/dbraw/zinc/11/66/46/804116646.db2.gz QYPGZXXFVVKCEE-LSDHHAIUSA-N 2 1 278.827 3.449 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086835 804120561 /nfs/dbraw/zinc/12/05/61/804120561.db2.gz WDLMRGASBRZPQJ-ZOWXZIJZSA-N 2 1 266.816 3.001 20 0 CGADMP CCCCC[C@@H](CCC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246089971 804122238 /nfs/dbraw/zinc/12/22/38/804122238.db2.gz UDKJOLOTSXDGKN-QGZVFWFLSA-N 2 1 283.504 3.010 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246097582 804129665 /nfs/dbraw/zinc/12/96/65/804129665.db2.gz NKJOIMSCDODTJL-NXHRZFHOSA-N 2 1 274.452 3.376 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2cc(Cl)ccc2Cl)C[NH2+]1 ZINC001246099397 804131092 /nfs/dbraw/zinc/13/10/92/804131092.db2.gz XAXSHYIMFCNHBO-MFKMUULPSA-N 2 1 287.234 3.266 20 0 CGADMP CCCCC[C@H](CC)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113194 804144643 /nfs/dbraw/zinc/14/46/43/804144643.db2.gz NJKCWYQZNBYBIT-GJZGRUSLSA-N 2 1 258.425 3.417 20 0 CGADMP F[C@]1(C[NH2+]C2CCCCCCC2)CCCC[NH2+]C1 ZINC001246117025 804149364 /nfs/dbraw/zinc/14/93/64/804149364.db2.gz YWLWPUDVJFWKFW-OAHLLOKOSA-N 2 1 256.409 3.171 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246118249 804149652 /nfs/dbraw/zinc/14/96/52/804149652.db2.gz OSYGAPIMXXFJFT-JYPHPWERSA-N 2 1 286.463 3.376 20 0 CGADMP CCCCC(CCCC)[NH2+][C@@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246123419 804152596 /nfs/dbraw/zinc/15/25/96/804152596.db2.gz DUEYWQCDEDJHKB-QGZVFWFLSA-N 2 1 298.471 3.010 20 0 CGADMP CCCCC[C@@H](CCC)[NH2+][C@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246126302 804154535 /nfs/dbraw/zinc/15/45/35/804154535.db2.gz IWZJXLWMPRHJCM-WBVHZDCISA-N 2 1 298.471 3.010 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)C[NH2+]1 ZINC001246163276 804180340 /nfs/dbraw/zinc/18/03/40/804180340.db2.gz LOBOKNKCGVPNJG-HNAYVOBHSA-N 2 1 280.415 3.236 20 0 CGADMP CNc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246174001 804187586 /nfs/dbraw/zinc/18/75/86/804187586.db2.gz VDJCUGFXHCUCHM-MOPGFXCFSA-N 2 1 295.430 3.311 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246181687 804194975 /nfs/dbraw/zinc/19/49/75/804194975.db2.gz ROBXEXNYNZYNPR-KKUMJFAQSA-N 2 1 258.425 3.273 20 0 CGADMP CCCCC[C@H](CCC)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246180160 804193581 /nfs/dbraw/zinc/19/35/81/804193581.db2.gz QDMGOSAEBVOGSR-LSDHHAIUSA-N 2 1 258.425 3.417 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C[NH2+]1 ZINC001246180481 804194191 /nfs/dbraw/zinc/19/41/91/804194191.db2.gz RVQDOZJBWQBJKH-VWPCXCKMSA-N 2 1 276.468 3.466 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246185940 804197082 /nfs/dbraw/zinc/19/70/82/804197082.db2.gz XFKVOFCNYJQGRP-UHFFFAOYSA-N 2 1 295.515 3.010 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC001246187644 804198916 /nfs/dbraw/zinc/19/89/16/804198916.db2.gz CRVVSWNIMXGXGL-MFKMUULPSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246190697 804199750 /nfs/dbraw/zinc/19/97/50/804199750.db2.gz RNIAIKPAKLEJBA-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246189514 804201037 /nfs/dbraw/zinc/20/10/37/804201037.db2.gz NASSTUXKLDXSDX-XHDPSFHLSA-N 2 1 284.806 3.142 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246211503 804210416 /nfs/dbraw/zinc/21/04/16/804210416.db2.gz KCUIOQLRWUCTBG-QGZVFWFLSA-N 3 1 283.504 3.010 20 0 CGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC001246234784 804226633 /nfs/dbraw/zinc/22/66/33/804226633.db2.gz WNZJZFRIGVJNRN-CYBMUJFWSA-N 2 1 286.410 3.324 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)c(Cl)c1 ZINC001246262129 804244797 /nfs/dbraw/zinc/24/47/97/804244797.db2.gz HURHMBAYUQTOFE-RYUDHWBXSA-N 2 1 266.816 3.267 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C[NH3+])Cc1ccccc1)CC2 ZINC001246269337 804248073 /nfs/dbraw/zinc/24/80/73/804248073.db2.gz QZPIHMUOIGARJW-VQTJNVASSA-N 2 1 294.442 3.012 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246327739 804283696 /nfs/dbraw/zinc/28/36/96/804283696.db2.gz ULAQQKCJOZHDFB-ZOWXZIJZSA-N 2 1 266.816 3.001 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246341652 804294037 /nfs/dbraw/zinc/29/40/37/804294037.db2.gz BNASCDJDLXIZPD-ZDUSSCGKSA-N 2 1 266.816 3.269 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2Cl)CC[NH2+]1 ZINC001246342720 804294901 /nfs/dbraw/zinc/29/49/01/804294901.db2.gz JGYBUUJBLPINMZ-KBPBESRZSA-N 2 1 266.816 3.269 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246360195 804303942 /nfs/dbraw/zinc/30/39/42/804303942.db2.gz GCFQAAUFTSGOPT-YVSFHVDLSA-N 2 1 295.515 3.148 20 0 CGADMP CC[C@@H]1CC(N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[C@@H](CC)[NH2+]1 ZINC001246359287 804304872 /nfs/dbraw/zinc/30/48/72/804304872.db2.gz AIPKKRSTTAUUBO-OAGGEKHMSA-N 2 1 295.515 3.006 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)C[NH2+]1 ZINC001246394675 804319670 /nfs/dbraw/zinc/31/96/70/804319670.db2.gz SVROYXIRZIHSQR-XJKSGUPXSA-N 2 1 276.399 3.021 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246414950 804325693 /nfs/dbraw/zinc/32/56/93/804325693.db2.gz VUOIZRGZYBROPF-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP CCC(C)(C)C1CCC([NH2+]C[C@H]2C[NH2+]CC(C)(C)O2)CC1 ZINC001246411923 804325811 /nfs/dbraw/zinc/32/58/11/804325811.db2.gz HCDXPAMSNRPBND-UYSNPLJNSA-N 2 1 296.499 3.338 20 0 CGADMP CC[C@@]1([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC[NH2+]C1 ZINC001246456471 804337337 /nfs/dbraw/zinc/33/73/37/804337337.db2.gz AYMDFMCDOJLDGB-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246468967 804347492 /nfs/dbraw/zinc/34/74/92/804347492.db2.gz MMJLQJHIWKYDME-XHDPSFHLSA-N 2 1 284.806 3.142 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(C)cc(C)c1 ZINC001246473678 804350168 /nfs/dbraw/zinc/35/01/68/804350168.db2.gz JBOHDYHTLWZMNI-IRXDYDNUSA-N 2 1 260.425 3.486 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246498305 804362086 /nfs/dbraw/zinc/36/20/86/804362086.db2.gz VVNPGAKXDLBZLR-UHFFFAOYSA-N 3 1 295.515 3.186 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246517788 804371511 /nfs/dbraw/zinc/37/15/11/804371511.db2.gz BTFLWVDDMQXDRV-NXHRZFHOSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC001246517824 804371894 /nfs/dbraw/zinc/37/18/94/804371894.db2.gz CHMZBWFYHSMQMD-DLBZAZTESA-N 2 1 272.436 3.211 20 0 CGADMP C[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246518175 804372479 /nfs/dbraw/zinc/37/24/79/804372479.db2.gz FILQHUHWHMAZDY-GJZGRUSLSA-N 2 1 250.430 3.316 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246520264 804373763 /nfs/dbraw/zinc/37/37/63/804373763.db2.gz SPHRRWGCCXDGHA-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP CCCC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246520930 804373867 /nfs/dbraw/zinc/37/38/67/804373867.db2.gz LZZGOEFEWKWPGB-DLBZAZTESA-N 2 1 260.425 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CC[NH2+]1 ZINC001246521229 804375368 /nfs/dbraw/zinc/37/53/68/804375368.db2.gz YHXHADOSRDQKLD-GOEBONIOSA-N 2 1 260.425 3.428 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246521652 804375584 /nfs/dbraw/zinc/37/55/84/804375584.db2.gz PNPRKVKUUBZGLY-MSOLQXFVSA-N 2 1 272.436 3.431 20 0 CGADMP C[N@@H+](C1CCCCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246533681 804383440 /nfs/dbraw/zinc/38/34/40/804383440.db2.gz WMRNHTJDXJKLKM-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246531714 804383562 /nfs/dbraw/zinc/38/35/62/804383562.db2.gz SMHABXIILQIKFY-CABCVRRESA-N 2 1 250.430 3.303 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246537350 804385479 /nfs/dbraw/zinc/38/54/79/804385479.db2.gz VJZOVYJEOAPMFM-ZMSDIMECSA-N 2 1 290.451 3.089 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246538074 804388224 /nfs/dbraw/zinc/38/82/24/804388224.db2.gz MHUYGILVLXBYPV-IMRBUKKESA-N 2 1 299.245 3.423 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246538816 804388349 /nfs/dbraw/zinc/38/83/49/804388349.db2.gz OFMFDEBGURHIQK-HYVNUMGLSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@H]1C[NH3+] ZINC001246544938 804392157 /nfs/dbraw/zinc/39/21/57/804392157.db2.gz DYGIFVXSTAJEEE-XHSDSOJGSA-N 2 1 264.457 3.406 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246545395 804392309 /nfs/dbraw/zinc/39/23/09/804392309.db2.gz KIWSSHZPSUGNIQ-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+]2Cc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC001246544927 804392780 /nfs/dbraw/zinc/39/27/80/804392780.db2.gz DNTJSALMBVMFRT-QGPMSJSTSA-N 2 1 272.436 3.382 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)CSc2ccc(C)cc2)C1 ZINC001246546633 804394787 /nfs/dbraw/zinc/39/47/87/804394787.db2.gz DKABQNUZWGOKEX-HOTGVXAUSA-N 2 1 292.492 3.407 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC001246549471 804398219 /nfs/dbraw/zinc/39/82/19/804398219.db2.gz JAZOYEOAYDPQEL-CRAIPNDOSA-N 2 1 274.452 3.111 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001246548233 804398901 /nfs/dbraw/zinc/39/89/01/804398901.db2.gz JPYCKPXIKOPXQQ-NVXWUHKLSA-N 2 1 278.415 3.079 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246551238 804400703 /nfs/dbraw/zinc/40/07/03/804400703.db2.gz XOYOCGMDLRKZRW-MXASKKJJSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246552647 804402958 /nfs/dbraw/zinc/40/29/58/804402958.db2.gz QTQSEDJOYJVCMX-MBNYWOFBSA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001246553493 804404311 /nfs/dbraw/zinc/40/43/11/804404311.db2.gz BBUFTYFZMHRWHF-FDYHWXHSSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001246553493 804404315 /nfs/dbraw/zinc/40/43/15/804404315.db2.gz BBUFTYFZMHRWHF-FDYHWXHSSA-N 2 1 278.362 3.167 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246554079 804404547 /nfs/dbraw/zinc/40/45/47/804404547.db2.gz AYMCFJPGQJQBCM-KURKYZTESA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246554549 804404868 /nfs/dbraw/zinc/40/48/68/804404868.db2.gz WIKGRMRTVKWPCJ-WMLDXEAASA-N 2 1 294.389 3.025 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556209 804406252 /nfs/dbraw/zinc/40/62/52/804406252.db2.gz DVRPUFYKHFNYKT-IAGOWNOFSA-N 2 1 284.488 3.301 20 0 CGADMP C[C@@H]1C[N@H+](C2CCCCCCC2)CCC[C@H]1C[NH3+] ZINC001246559469 804408486 /nfs/dbraw/zinc/40/84/86/804408486.db2.gz AFUIYBPAJROTGA-CABCVRRESA-N 2 1 252.446 3.406 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246560346 804409935 /nfs/dbraw/zinc/40/99/35/804409935.db2.gz CVYDTZZUVOWLJC-NFAWXSAZSA-N 2 1 280.843 3.330 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CC[C@@H]1C[NH3+] ZINC001246560609 804410058 /nfs/dbraw/zinc/41/00/58/804410058.db2.gz QQWNKJRVZLPNPX-BPLDGKMQSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CCCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246560710 804410577 /nfs/dbraw/zinc/41/05/77/804410577.db2.gz SGMHYLAEDIGOQI-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246562905 804412010 /nfs/dbraw/zinc/41/20/10/804412010.db2.gz IGPFSFPYJXQPBL-VMGRFDJRSA-N 2 1 292.854 3.257 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246568684 804415584 /nfs/dbraw/zinc/41/55/84/804415584.db2.gz ASXNQGGFEAUHLC-LSDHHAIUSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246568684 804415586 /nfs/dbraw/zinc/41/55/86/804415586.db2.gz ASXNQGGFEAUHLC-LSDHHAIUSA-N 2 1 258.425 3.497 20 0 CGADMP C[C@]1(F)CCC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246571704 804419252 /nfs/dbraw/zinc/41/92/52/804419252.db2.gz FJSVBHDGOQZQNI-CABCVRRESA-N 2 1 268.420 3.265 20 0 CGADMP C[C@]1(F)CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246571704 804419257 /nfs/dbraw/zinc/41/92/57/804419257.db2.gz FJSVBHDGOQZQNI-CABCVRRESA-N 2 1 268.420 3.265 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](C2CCC3(CCCC3)CC2)CC[C@@H]1F ZINC001246574483 804421000 /nfs/dbraw/zinc/42/10/00/804421000.db2.gz YFEGDZXFYXYDGB-GJZGRUSLSA-N 2 1 268.420 3.251 20 0 CGADMP [NH3+][C@H]1CC[N@H+](C2CCC3(CCCC3)CC2)CC[C@@H]1F ZINC001246574483 804421002 /nfs/dbraw/zinc/42/10/02/804421002.db2.gz YFEGDZXFYXYDGB-GJZGRUSLSA-N 2 1 268.420 3.251 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246575672 804422515 /nfs/dbraw/zinc/42/25/15/804422515.db2.gz KYBKIRHEDKFHIR-UKRRQHHQSA-N 2 1 272.502 3.358 20 0 CGADMP C[C@@]1(F)CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246576796 804422783 /nfs/dbraw/zinc/42/27/83/804422783.db2.gz PTPMDLYTLVDZRT-HWOWSKLDSA-N 2 1 268.420 3.123 20 0 CGADMP CC1(C)CCC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246579561 804423938 /nfs/dbraw/zinc/42/39/38/804423938.db2.gz FSDICGABIBWPJP-MRXNPFEDSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246581716 804426543 /nfs/dbraw/zinc/42/65/43/804426543.db2.gz AIGSTIADUPGQOD-RDJZCZTQSA-N 2 1 290.476 3.154 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001246584463 804427428 /nfs/dbraw/zinc/42/74/28/804427428.db2.gz NBKNISMJIJTGCJ-WMZOPIPTSA-N 2 1 274.452 3.377 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@](C)(C[NH3+])C1)CC2 ZINC001246589885 804431615 /nfs/dbraw/zinc/43/16/15/804431615.db2.gz GDQKLRDKOYGIRP-RBUKOAKNSA-N 2 1 286.463 3.303 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC001246594159 804435491 /nfs/dbraw/zinc/43/54/91/804435491.db2.gz DNTJSALMBVMFRT-QILLFSRXSA-N 2 1 272.436 3.382 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001246595007 804435893 /nfs/dbraw/zinc/43/58/93/804435893.db2.gz XHENZTMNYQJUTD-CGTJXYLNSA-N 2 1 274.452 3.457 20 0 CGADMP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246599200 804438835 /nfs/dbraw/zinc/43/88/35/804438835.db2.gz BCYOMFNNZKLTHU-FUHWJXTLSA-N 2 1 290.451 3.456 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246599233 804439043 /nfs/dbraw/zinc/43/90/43/804439043.db2.gz BIJVWVZZNXAAJA-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246599231 804439166 /nfs/dbraw/zinc/43/91/66/804439166.db2.gz BIJVWVZZNXAAJA-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246606282 804442275 /nfs/dbraw/zinc/44/22/75/804442275.db2.gz DMKTXCMSSXKBJM-MCIONIFRSA-N 2 1 290.373 3.326 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246606282 804442278 /nfs/dbraw/zinc/44/22/78/804442278.db2.gz DMKTXCMSSXKBJM-MCIONIFRSA-N 2 1 290.373 3.326 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001246611609 804444468 /nfs/dbraw/zinc/44/44/68/804444468.db2.gz UTLNORJIRUKPJT-APWZRJJASA-N 2 1 286.463 3.398 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246610293 804445369 /nfs/dbraw/zinc/44/53/69/804445369.db2.gz MFUHWHCAROFEFK-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246610293 804445370 /nfs/dbraw/zinc/44/53/70/804445370.db2.gz MFUHWHCAROFEFK-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246614671 804448187 /nfs/dbraw/zinc/44/81/87/804448187.db2.gz UGJOUSDRKZSODO-UXHICEINSA-N 2 1 298.474 3.318 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246614375 804448210 /nfs/dbraw/zinc/44/82/10/804448210.db2.gz SKDPMNBWEDPPKA-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246617941 804451543 /nfs/dbraw/zinc/45/15/43/804451543.db2.gz DXEBTSBWGSDEJL-NJAFHUGGSA-N 2 1 284.447 3.254 20 0 CGADMP C1CC2(C1)C[C@@H]([N@H+]1CCCC3(CCCC3)C1)CC[NH2+]2 ZINC001246617747 804452464 /nfs/dbraw/zinc/45/24/64/804452464.db2.gz YWWCSFLYIXWIAH-HNNXBMFYSA-N 2 1 262.441 3.317 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246620752 804454139 /nfs/dbraw/zinc/45/41/39/804454139.db2.gz OGNIBGQSXAVOOG-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246623338 804455567 /nfs/dbraw/zinc/45/55/67/804455567.db2.gz SFPQBRBJTWTDLJ-CVEARBPZSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246623338 804455572 /nfs/dbraw/zinc/45/55/72/804455572.db2.gz SFPQBRBJTWTDLJ-CVEARBPZSA-N 2 1 250.430 3.339 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC(C)(C)C1 ZINC001246624170 804457485 /nfs/dbraw/zinc/45/74/85/804457485.db2.gz CLVKXSJIUVOWQS-VYDXJSESSA-N 2 1 264.457 3.277 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246628118 804459350 /nfs/dbraw/zinc/45/93/50/804459350.db2.gz AQQFSVIIDMJXJX-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631613 804461926 /nfs/dbraw/zinc/46/19/26/804461926.db2.gz RJHYUKHSCJMXFC-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246637271 804465436 /nfs/dbraw/zinc/46/54/36/804465436.db2.gz PSWPIYVGAVTWCH-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246637271 804465441 /nfs/dbraw/zinc/46/54/41/804465441.db2.gz PSWPIYVGAVTWCH-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246641279 804468800 /nfs/dbraw/zinc/46/88/00/804468800.db2.gz CUBFZWFBOONEND-HIFRSBDPSA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@H]1CC([NH+]2CCC3(CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246641692 804469094 /nfs/dbraw/zinc/46/90/94/804469094.db2.gz KIDIIWRLGBDZCX-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246643722 804470959 /nfs/dbraw/zinc/47/09/59/804470959.db2.gz CPQFDSYGUNMSDN-XMTFNYHQSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649401 804476545 /nfs/dbraw/zinc/47/65/45/804476545.db2.gz PEQCUTGBCVNDDV-CJNGLKHVSA-N 2 1 278.827 3.099 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649401 804476549 /nfs/dbraw/zinc/47/65/49/804476549.db2.gz PEQCUTGBCVNDDV-CJNGLKHVSA-N 2 1 278.827 3.099 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246650606 804478808 /nfs/dbraw/zinc/47/88/08/804478808.db2.gz UWMYUBIAOWZEMZ-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246652023 804479212 /nfs/dbraw/zinc/47/92/12/804479212.db2.gz NTNCVYKDRJVUDY-UYAOXDASSA-N 2 1 298.474 3.460 20 0 CGADMP CCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC1 ZINC001246654427 804480152 /nfs/dbraw/zinc/48/01/52/804480152.db2.gz HXYZBAWDSHLWMV-YIOUJQMASA-N 2 1 290.373 3.039 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246658608 804481595 /nfs/dbraw/zinc/48/15/95/804481595.db2.gz LCVNCAKSUHGNCC-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246658608 804481601 /nfs/dbraw/zinc/48/16/01/804481601.db2.gz LCVNCAKSUHGNCC-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656907 804482253 /nfs/dbraw/zinc/48/22/53/804482253.db2.gz PDKWOWNEWCPQEC-IHRRRGAJSA-N 2 1 292.389 3.285 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660612 804484187 /nfs/dbraw/zinc/48/41/87/804484187.db2.gz WBSONXITKFAQBM-QYZOEREBSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246677910 804492568 /nfs/dbraw/zinc/49/25/68/804492568.db2.gz AGKLJJSYCJNQGK-QGZVFWFLSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246682973 804495495 /nfs/dbraw/zinc/49/54/95/804495495.db2.gz XRQLIVKBVJTNRT-ONYGOOLBSA-N 2 1 270.420 3.415 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246683132 804495741 /nfs/dbraw/zinc/49/57/41/804495741.db2.gz ZQXJCQAEFKHIPD-QZTJIDSGSA-N 2 1 272.436 3.254 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246686755 804495954 /nfs/dbraw/zinc/49/59/54/804495954.db2.gz SNEFPXABIJKCQH-XMTFNYHQSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246685765 804496277 /nfs/dbraw/zinc/49/62/77/804496277.db2.gz BRTKAAOFYUHDGF-BJWYYQGGSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246699172 804498983 /nfs/dbraw/zinc/49/89/83/804498983.db2.gz ZJXYWSPROOMCSX-FGTMMUONSA-N 2 1 290.426 3.031 20 0 CGADMP C[N@@H+](C1CC[NH2+]CC1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246695098 804499876 /nfs/dbraw/zinc/49/98/76/804499876.db2.gz OJCIGWRCTYDIHF-AEFFLSMTSA-N 2 1 272.436 3.397 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2)CC[NH2+]1 ZINC001246767285 804501142 /nfs/dbraw/zinc/50/11/42/804501142.db2.gz BHYNCUVRDGZMNI-IRXDYDNUSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246745751 804501635 /nfs/dbraw/zinc/50/16/35/804501635.db2.gz GDYMGYNPYVBPOB-AEFFLSMTSA-N 2 1 298.474 3.415 20 0 CGADMP CC[C@H]1CC([N@H+](C)Cc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246771265 804503969 /nfs/dbraw/zinc/50/39/69/804503969.db2.gz XTXQOAHHGUCOKF-HOTGVXAUSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@H]1CC([N@@H+](C)Cc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246771265 804503974 /nfs/dbraw/zinc/50/39/74/804503974.db2.gz XTXQOAHHGUCOKF-HOTGVXAUSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2CCOC)C[C@H](CC)[NH2+]1 ZINC001246780965 804508733 /nfs/dbraw/zinc/50/87/33/804508733.db2.gz CZWYTCHGQCYAEN-TWMKSMIVSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784336 804509501 /nfs/dbraw/zinc/50/95/01/804509501.db2.gz FZLYRLPATCJEMA-JKIFEVAISA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784336 804509502 /nfs/dbraw/zinc/50/95/02/804509502.db2.gz FZLYRLPATCJEMA-JKIFEVAISA-N 2 1 276.399 3.493 20 0 CGADMP c1csc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246785654 804511942 /nfs/dbraw/zinc/51/19/42/804511942.db2.gz KUAUMEFVTKXTPR-PIGZVRMJSA-N 2 1 262.422 3.168 20 0 CGADMP C[C@H]1CCC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)[C@H]1C ZINC001246792438 804514921 /nfs/dbraw/zinc/51/49/21/804514921.db2.gz WATYCRATWGEXOZ-FXQLRMTLSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC001246791434 804514948 /nfs/dbraw/zinc/51/49/48/804514948.db2.gz YOJOCUNGFCCIJX-CJNGLKHVSA-N 2 1 264.388 3.351 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001246791434 804514954 /nfs/dbraw/zinc/51/49/54/804514954.db2.gz YOJOCUNGFCCIJX-CJNGLKHVSA-N 2 1 264.388 3.351 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001246791426 804516178 /nfs/dbraw/zinc/51/61/78/804516178.db2.gz YOEHZDWBCOPMGH-IUODEOHRSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001246791426 804516184 /nfs/dbraw/zinc/51/61/84/804516184.db2.gz YOEHZDWBCOPMGH-IUODEOHRSA-N 2 1 266.816 3.475 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](CC2CC2)C(C)C)CC[NH2+]1 ZINC001246791651 804516281 /nfs/dbraw/zinc/51/62/81/804516281.db2.gz RDCIVINOXLSYNQ-JKSUJKDBSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC001246797209 804519160 /nfs/dbraw/zinc/51/91/60/804519160.db2.gz NFESPOKVGOXIFC-GFCCVEGCSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246796911 804519361 /nfs/dbraw/zinc/51/93/61/804519361.db2.gz NUNXTOXAJWILOZ-WWGRRREGSA-N 2 1 262.372 3.103 20 0 CGADMP C[N@@H+](C1CCCC1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246796830 804519565 /nfs/dbraw/zinc/51/95/65/804519565.db2.gz MMWKVJFYZDVOGI-FUHWJXTLSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@H](C)C1 ZINC001246810583 804526876 /nfs/dbraw/zinc/52/68/76/804526876.db2.gz OODGMVPRGXOTAE-NUWOQIAWSA-N 2 1 264.457 3.419 20 0 CGADMP COC(C)(C)[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246811339 804528268 /nfs/dbraw/zinc/52/82/68/804528268.db2.gz SNNNJNWLEGVDKP-HZPDHXFCSA-N 2 1 294.483 3.331 20 0 CGADMP C[C@@H]1CC([N@@H+](C)CCc2ccccc2Cl)C[C@@H](C)[NH2+]1 ZINC001246811949 804528278 /nfs/dbraw/zinc/52/82/78/804528278.db2.gz AUTPTLCONZOREO-CHWSQXEVSA-N 2 1 280.843 3.343 20 0 CGADMP Cc1cccc(CC[N@H+](C)C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246813937 804530535 /nfs/dbraw/zinc/53/05/35/804530535.db2.gz MUKHSLMKXCZIMX-UHFFFAOYSA-N 2 1 286.463 3.392 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246815683 804532451 /nfs/dbraw/zinc/53/24/51/804532451.db2.gz ZZJOUWBSTIJIEB-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246815665 804532590 /nfs/dbraw/zinc/53/25/90/804532590.db2.gz ZVUAFNXKCWDSHU-STQMWFEESA-N 2 1 298.883 3.362 20 0 CGADMP C1C[C@@H]2CCC[N@H+](C3CCC4(CC[NH2+]C4)CC3)[C@@H]2C1 ZINC001246822256 804534800 /nfs/dbraw/zinc/53/48/00/804534800.db2.gz WODXZTXDCWCSFS-KZYLPZIUSA-N 2 1 262.441 3.173 20 0 CGADMP Fc1ccccc1CC1CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC001246822841 804537526 /nfs/dbraw/zinc/53/75/26/804537526.db2.gz LUDWENQZTBSSDK-KRWDZBQOSA-N 2 1 290.426 3.222 20 0 CGADMP FC(F)(F)c1ccc([C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246828596 804538847 /nfs/dbraw/zinc/53/88/47/804538847.db2.gz CMRUHLBKUCMDHT-CYBMUJFWSA-N 2 1 298.352 3.247 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827790 804538973 /nfs/dbraw/zinc/53/89/73/804538973.db2.gz RBNVNIRZPLZDBH-WOPDTQHZSA-N 2 1 266.351 3.023 20 0 CGADMP CC[C@@H](CC(C)C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827790 804538979 /nfs/dbraw/zinc/53/89/79/804538979.db2.gz RBNVNIRZPLZDBH-WOPDTQHZSA-N 2 1 266.351 3.023 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246833522 804541781 /nfs/dbraw/zinc/54/17/81/804541781.db2.gz BMNZOUQUXVFYJR-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP C1CC2(C[NH2+]1)CCC([N@@H+]1C[C@@H]3CCC[C@@H](C3)C1)CC2 ZINC001246835794 804544772 /nfs/dbraw/zinc/54/47/72/804544772.db2.gz URAKUGVYSMCZOP-RYTJFDOTSA-N 2 1 262.441 3.031 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246838559 804545876 /nfs/dbraw/zinc/54/58/76/804545876.db2.gz CVUQTDIQVGPSDG-OAHLLOKOSA-N 2 1 278.827 3.304 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)CC1 ZINC001246837541 804546196 /nfs/dbraw/zinc/54/61/96/804546196.db2.gz QKQRXJMGXWGSNK-PFSRBDOWSA-N 2 1 270.436 3.353 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)CC1 ZINC001246837541 804546203 /nfs/dbraw/zinc/54/62/03/804546203.db2.gz QKQRXJMGXWGSNK-PFSRBDOWSA-N 2 1 270.436 3.353 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246841092 804549852 /nfs/dbraw/zinc/54/98/52/804549852.db2.gz SSDWFWWHQHQBOK-MRXNPFEDSA-N 2 1 276.399 3.322 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246844227 804551605 /nfs/dbraw/zinc/55/16/05/804551605.db2.gz HSWFOPFXELUGHQ-JSGCOSHPSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CC[NH2+]1 ZINC001246844457 804551888 /nfs/dbraw/zinc/55/18/88/804551888.db2.gz JGNYNFUCAGHIRH-SZMVWBNQSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246843420 804551920 /nfs/dbraw/zinc/55/19/20/804551920.db2.gz CHWHOGDUFKCHFH-GVDBMIGSSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246843420 804551922 /nfs/dbraw/zinc/55/19/22/804551922.db2.gz CHWHOGDUFKCHFH-GVDBMIGSSA-N 2 1 272.436 3.458 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001246843915 804552342 /nfs/dbraw/zinc/55/23/42/804552342.db2.gz GMMWPDBKWMDTJU-BCDXTJNWSA-N 2 1 272.436 3.354 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246844197 804552363 /nfs/dbraw/zinc/55/23/63/804552363.db2.gz XVARZRKIJPIHQA-GVRJEKJASA-N 2 1 252.446 3.116 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001246850795 804559415 /nfs/dbraw/zinc/55/94/15/804559415.db2.gz JUVFVVRAVQWDRZ-FZMZJTMJSA-N 2 1 286.341 3.278 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246848850 804559451 /nfs/dbraw/zinc/55/94/51/804559451.db2.gz WTOWDSYMVDPXNH-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246848850 804559461 /nfs/dbraw/zinc/55/94/61/804559461.db2.gz WTOWDSYMVDPXNH-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246858112 804564265 /nfs/dbraw/zinc/56/42/65/804564265.db2.gz BDUIBWJBFHNPOS-SJORKVTESA-N 2 1 278.415 3.424 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246862998 804568399 /nfs/dbraw/zinc/56/83/99/804568399.db2.gz OQJVAJJNSGSXID-WMLDXEAASA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246862998 804568403 /nfs/dbraw/zinc/56/84/03/804568403.db2.gz OQJVAJJNSGSXID-WMLDXEAASA-N 2 1 290.426 3.351 20 0 CGADMP C1[NH2+]CC12CC[C@H]([N@H+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001246867504 804568797 /nfs/dbraw/zinc/56/87/97/804568797.db2.gz YFPISQSWJGWQAO-JKSUJKDBSA-N 2 1 262.441 3.173 20 0 CGADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001246867502 804568998 /nfs/dbraw/zinc/56/89/98/804568998.db2.gz YFPISQSWJGWQAO-HZPDHXFCSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@H](c3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246864973 804569516 /nfs/dbraw/zinc/56/95/16/804569516.db2.gz QXCSGBRPHFSCTL-ZOBUZTSGSA-N 2 1 272.436 3.395 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246865599 804569976 /nfs/dbraw/zinc/56/99/76/804569976.db2.gz ZKWMOYAADAWVTA-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246865599 804569980 /nfs/dbraw/zinc/56/99/80/804569980.db2.gz ZKWMOYAADAWVTA-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H]1C ZINC001246871174 804573188 /nfs/dbraw/zinc/57/31/88/804573188.db2.gz CUEZWSOODUKNAT-BDUQCRIQSA-N 2 1 298.474 3.284 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)CC[NH2+]1 ZINC001246871958 804573660 /nfs/dbraw/zinc/57/36/60/804573660.db2.gz SBKQNQSRBUHDJQ-XEZPLFJOSA-N 2 1 292.854 3.442 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880172 804576007 /nfs/dbraw/zinc/57/60/07/804576007.db2.gz HQNCGYKSSFYJBA-SJORKVTESA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880172 804576012 /nfs/dbraw/zinc/57/60/12/804576012.db2.gz HQNCGYKSSFYJBA-SJORKVTESA-N 2 1 290.426 3.351 20 0 CGADMP Fc1cccc(CC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246878680 804577054 /nfs/dbraw/zinc/57/70/54/804577054.db2.gz ADEPIKPEPQYEGI-SFHVURJKSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246890882 804583268 /nfs/dbraw/zinc/58/32/68/804583268.db2.gz VWVUHYGPDKKAQV-MRXNPFEDSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@@H+]([C@H]1Cc2ccc(Cl)cc2C1)C1CC[NH2+]CC1 ZINC001246895665 804585237 /nfs/dbraw/zinc/58/52/37/804585237.db2.gz VMZNOJAMXBZDGH-KRWDZBQOSA-N 2 1 292.854 3.271 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246903430 804590517 /nfs/dbraw/zinc/59/05/17/804590517.db2.gz XISCLVHJLQQAET-KDOFPFPSSA-N 2 1 295.430 3.447 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1F)C1CCC2(C[NH2+]C2)CC1 ZINC001246906284 804592121 /nfs/dbraw/zinc/59/21/21/804592121.db2.gz DYXJMAZYRGIHRB-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246909915 804592980 /nfs/dbraw/zinc/59/29/80/804592980.db2.gz SDSQEUDNOITEBF-WBVHZDCISA-N 2 1 260.425 3.266 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246909627 804593021 /nfs/dbraw/zinc/59/30/21/804593021.db2.gz FZCMRXLBONMSPP-INIZCTEOSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913033 804596572 /nfs/dbraw/zinc/59/65/72/804596572.db2.gz JEVICQYFTVJZEN-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913033 804596574 /nfs/dbraw/zinc/59/65/74/804596574.db2.gz JEVICQYFTVJZEN-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246913456 804596697 /nfs/dbraw/zinc/59/66/97/804596697.db2.gz XHTGFXOJHUDTCP-BJJXKVORSA-N 2 1 294.439 3.133 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246914027 804597391 /nfs/dbraw/zinc/59/73/91/804597391.db2.gz YDFOFZDPRXZBDU-ZDUSSCGKSA-N 2 1 280.843 3.345 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246931053 804605175 /nfs/dbraw/zinc/60/51/75/804605175.db2.gz MUJKQGUWPNQJAL-OTWHNJEPSA-N 2 1 286.463 3.329 20 0 CGADMP CCCCC[C@@H](CC)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246929777 804605532 /nfs/dbraw/zinc/60/55/32/804605532.db2.gz QIVCYXZUFLIHJN-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246929777 804605540 /nfs/dbraw/zinc/60/55/40/804605540.db2.gz QIVCYXZUFLIHJN-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP Fc1cccc(C[N@H+](C2CCCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246933083 804606611 /nfs/dbraw/zinc/60/66/11/804606611.db2.gz GIDGWRJXYYEVFC-QGZVFWFLSA-N 2 1 276.399 3.322 20 0 CGADMP Fc1cccc(C[N@@H+](C2CCCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246933083 804606614 /nfs/dbraw/zinc/60/66/14/804606614.db2.gz GIDGWRJXYYEVFC-QGZVFWFLSA-N 2 1 276.399 3.322 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@H]1CCCSC1 ZINC001246937383 804609168 /nfs/dbraw/zinc/60/91/68/804609168.db2.gz LZYQEIHZVBGREL-HOCLYGCPSA-N 2 1 282.497 3.126 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246941388 804609814 /nfs/dbraw/zinc/60/98/14/804609814.db2.gz JSTWSXCNLPNZNV-JQHSSLGASA-N 2 1 272.436 3.254 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246938852 804610769 /nfs/dbraw/zinc/61/07/69/804610769.db2.gz OFLFOGTXLCHPAP-JYJNAYRXSA-N 2 1 250.430 3.173 20 0 CGADMP COc1cccc(C2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246941578 804612297 /nfs/dbraw/zinc/61/22/97/804612297.db2.gz LZBZUUOGMGYJAM-QGZVFWFLSA-N 2 1 288.435 3.017 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001246944009 804612542 /nfs/dbraw/zinc/61/25/42/804612542.db2.gz OQONXBNKYJTGLU-MANSERQUSA-N 2 1 284.447 3.438 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246946263 804613883 /nfs/dbraw/zinc/61/38/83/804613883.db2.gz OLKLGZUAXSXLSH-ZBFHGGJFSA-N 2 1 268.420 3.252 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246946263 804613886 /nfs/dbraw/zinc/61/38/86/804613886.db2.gz OLKLGZUAXSXLSH-ZBFHGGJFSA-N 2 1 268.420 3.252 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246951546 804615308 /nfs/dbraw/zinc/61/53/08/804615308.db2.gz UMLLJHYVXFRTQG-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246969146 804621115 /nfs/dbraw/zinc/62/11/15/804621115.db2.gz UJSZIDOFGUPIPI-DLBZAZTESA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246973860 804624651 /nfs/dbraw/zinc/62/46/51/804624651.db2.gz IWESNORHGBEOTM-RDGPPVDQSA-N 2 1 286.463 3.313 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)C1 ZINC001246979248 804625161 /nfs/dbraw/zinc/62/51/61/804625161.db2.gz XZQIKDPPBVPHPN-CZUORRHYSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2c(C)cccc2C1 ZINC001246978530 804626023 /nfs/dbraw/zinc/62/60/23/804626023.db2.gz VWLYNSANCTYXEB-SJLPKXTDSA-N 2 1 286.463 3.174 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246982846 804627885 /nfs/dbraw/zinc/62/78/85/804627885.db2.gz CHIGYJUWXALHDS-QGZVFWFLSA-N 2 1 297.531 3.351 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246982846 804627888 /nfs/dbraw/zinc/62/78/88/804627888.db2.gz CHIGYJUWXALHDS-QGZVFWFLSA-N 2 1 297.531 3.351 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246998945 804634792 /nfs/dbraw/zinc/63/47/92/804634792.db2.gz ATUWLFAOEMZOKZ-XFBWCDHKSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246998945 804634796 /nfs/dbraw/zinc/63/47/96/804634796.db2.gz ATUWLFAOEMZOKZ-XFBWCDHKSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015800 804642633 /nfs/dbraw/zinc/64/26/33/804642633.db2.gz PVEHNAXZANHBCN-FRFSOERESA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015800 804642634 /nfs/dbraw/zinc/64/26/34/804642634.db2.gz PVEHNAXZANHBCN-FRFSOERESA-N 2 1 292.854 3.345 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001143253283 804829854 /nfs/dbraw/zinc/82/98/54/804829854.db2.gz OZVMOWUNELUTBP-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143253283 804829863 /nfs/dbraw/zinc/82/98/63/804829863.db2.gz OZVMOWUNELUTBP-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143253283 804829870 /nfs/dbraw/zinc/82/98/70/804829870.db2.gz OZVMOWUNELUTBP-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143253283 804829876 /nfs/dbraw/zinc/82/98/76/804829876.db2.gz OZVMOWUNELUTBP-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143253283 804829886 /nfs/dbraw/zinc/82/98/86/804829886.db2.gz OZVMOWUNELUTBP-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP Cc1c(C[N@@H+](C)CCC[NH+](C)C)cccc1C(F)(F)F ZINC001143916539 804906274 /nfs/dbraw/zinc/90/62/74/804906274.db2.gz BYIVRXRZWDFXET-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP Cc1c(C[N@H+](C)CCC[NH+](C)C)cccc1C(F)(F)F ZINC001143916539 804906280 /nfs/dbraw/zinc/90/62/80/804906280.db2.gz BYIVRXRZWDFXET-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C[C@H](C)O1 ZINC001257083168 807046794 /nfs/dbraw/zinc/04/67/94/807046794.db2.gz GDUYARAPNJIEQA-MVJTYMMSSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C[C@H](C)O1 ZINC001257083168 807046801 /nfs/dbraw/zinc/04/68/01/807046801.db2.gz GDUYARAPNJIEQA-MVJTYMMSSA-N 2 1 294.483 3.187 20 0 CGADMP c1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)[nH+]c2c1CCCC2 ZINC001165319691 806992657 /nfs/dbraw/zinc/99/26/57/806992657.db2.gz KGCFVCMMAXNORZ-SFHVURJKSA-N 2 1 299.462 3.319 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001257224197 807066051 /nfs/dbraw/zinc/06/60/51/807066051.db2.gz RORCTHICKRXJED-IYBDPMFKSA-N 2 1 284.447 3.446 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001257224197 807066063 /nfs/dbraw/zinc/06/60/63/807066063.db2.gz RORCTHICKRXJED-IYBDPMFKSA-N 2 1 284.447 3.446 20 0 CGADMP CCc1ccc(NCC2CC[NH+](C(C)C)CC2)[nH+]c1 ZINC001166623284 807071576 /nfs/dbraw/zinc/07/15/76/807071576.db2.gz OJRJTVRSUBVRSN-UHFFFAOYSA-N 2 1 261.413 3.176 20 0 CGADMP CCC[C@H](CC)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001257259603 807076298 /nfs/dbraw/zinc/07/62/98/807076298.db2.gz NQYAXUVPVKSXGC-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](CC)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001257259603 807076300 /nfs/dbraw/zinc/07/63/00/807076300.db2.gz NQYAXUVPVKSXGC-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](CC)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001257259603 807076311 /nfs/dbraw/zinc/07/63/11/807076311.db2.gz NQYAXUVPVKSXGC-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](CC)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001257259603 807076315 /nfs/dbraw/zinc/07/63/15/807076315.db2.gz NQYAXUVPVKSXGC-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001257320521 807107029 /nfs/dbraw/zinc/10/70/29/807107029.db2.gz VJOJHOBXXILEHU-ZDUSSCGKSA-N 2 1 261.413 3.117 20 0 CGADMP CC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001257433117 807153614 /nfs/dbraw/zinc/15/36/14/807153614.db2.gz DIWWIIBAZLHOCF-GFCCVEGCSA-N 2 1 266.816 3.388 20 0 CGADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC001257457672 807166805 /nfs/dbraw/zinc/16/68/05/807166805.db2.gz KDOFQKXSBWCZEM-MRXNPFEDSA-N 2 1 294.483 3.331 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001257463252 807167890 /nfs/dbraw/zinc/16/78/90/807167890.db2.gz LANYLVUCEADELY-KGLIPLIRSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1cccc(N(C2CCCCC2)C2CC[NH2+]CC2)[nH+]1 ZINC001257467681 807171808 /nfs/dbraw/zinc/17/18/08/807171808.db2.gz ZDVPMFSNSIEPIO-UHFFFAOYSA-N 2 1 273.424 3.281 20 0 CGADMP CCCCCC(CCCCC)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001257549914 807195095 /nfs/dbraw/zinc/19/50/95/807195095.db2.gz HISGKRBLTNHART-MRXNPFEDSA-N 2 1 270.461 3.175 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001257549914 807195103 /nfs/dbraw/zinc/19/51/03/807195103.db2.gz HISGKRBLTNHART-MRXNPFEDSA-N 2 1 270.461 3.175 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)Cc1cccs1 ZINC001167607999 807215207 /nfs/dbraw/zinc/21/52/07/807215207.db2.gz HGFPBMOLROZVKW-CQSZACIVSA-N 2 1 268.470 3.343 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C2CCC(OC(C)C)CC2)CC1 ZINC001257882245 807237046 /nfs/dbraw/zinc/23/70/46/807237046.db2.gz FTLNDVAEIQHKIO-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C2CCC(OC(C)C)CC2)CC1 ZINC001257882245 807237048 /nfs/dbraw/zinc/23/70/48/807237048.db2.gz FTLNDVAEIQHKIO-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC1(C)C ZINC001167836494 807259174 /nfs/dbraw/zinc/25/91/74/807259174.db2.gz DZTKSIXZRCULGX-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC2(CCC2)C1 ZINC001167837765 807259270 /nfs/dbraw/zinc/25/92/70/807259270.db2.gz MEJCERLAMHMVBT-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP F[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960801 807286264 /nfs/dbraw/zinc/28/62/64/807286264.db2.gz DFVOAWHNYZOLQV-SLUKUZTOSA-N 2 1 280.431 3.262 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCC1 ZINC001167977461 807289411 /nfs/dbraw/zinc/28/94/11/807289411.db2.gz CNRVLAVSBRHIHZ-RJCAOGMDSA-N 2 1 262.441 3.170 20 0 CGADMP C[C@@]1(F)CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983318 807289434 /nfs/dbraw/zinc/28/94/34/807289434.db2.gz FRCCUHMDVCZLRZ-FCLJQHQZSA-N 2 1 280.431 3.216 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983318 807289441 /nfs/dbraw/zinc/28/94/41/807289441.db2.gz FRCCUHMDVCZLRZ-FCLJQHQZSA-N 2 1 280.431 3.216 20 0 CGADMP C[C@@]1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983318 807289444 /nfs/dbraw/zinc/28/94/44/807289444.db2.gz FRCCUHMDVCZLRZ-FCLJQHQZSA-N 2 1 280.431 3.216 20 0 CGADMP C[C@@]1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983318 807289449 /nfs/dbraw/zinc/28/94/49/807289449.db2.gz FRCCUHMDVCZLRZ-FCLJQHQZSA-N 2 1 280.431 3.216 20 0 CGADMP C[C@@]1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983318 807289456 /nfs/dbraw/zinc/28/94/56/807289456.db2.gz FRCCUHMDVCZLRZ-FCLJQHQZSA-N 2 1 280.431 3.216 20 0 CGADMP FC(F)[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995746 807294320 /nfs/dbraw/zinc/29/43/20/807294320.db2.gz PNWKGRXLAASOAW-LSVZVQIISA-N 2 1 298.421 3.369 20 0 CGADMP CC[N@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039270 807302841 /nfs/dbraw/zinc/30/28/41/807302841.db2.gz CPJSNZSFKHLWJE-SCAQPMJSSA-N 2 1 260.425 3.380 20 0 CGADMP CC[N@@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039270 807302855 /nfs/dbraw/zinc/30/28/55/807302855.db2.gz CPJSNZSFKHLWJE-SCAQPMJSSA-N 2 1 260.425 3.380 20 0 CGADMP CC[NH+](C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039270 807302859 /nfs/dbraw/zinc/30/28/59/807302859.db2.gz CPJSNZSFKHLWJE-SCAQPMJSSA-N 2 1 260.425 3.380 20 0 CGADMP CC[NH+](C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039270 807302867 /nfs/dbraw/zinc/30/28/67/807302867.db2.gz CPJSNZSFKHLWJE-SCAQPMJSSA-N 2 1 260.425 3.380 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC001258139318 807320046 /nfs/dbraw/zinc/32/00/46/807320046.db2.gz GKGLPXOKEUEAAL-RBUKOAKNSA-N 2 1 284.447 3.082 20 0 CGADMP C[C@H]1CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H](C)C1 ZINC001258155806 807323799 /nfs/dbraw/zinc/32/37/99/807323799.db2.gz IOKXXBNIQNZNNJ-RBSFLKMASA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H](C)C1 ZINC001258155806 807323806 /nfs/dbraw/zinc/32/38/06/807323806.db2.gz IOKXXBNIQNZNNJ-RBSFLKMASA-N 2 1 264.457 3.418 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168152475 807326608 /nfs/dbraw/zinc/32/66/08/807326608.db2.gz VCNCYOOKMPMJEQ-NSHDSACASA-N 2 1 277.799 3.150 20 0 CGADMP C[C@H](Cc1ccco1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001258176251 807341341 /nfs/dbraw/zinc/34/13/41/807341341.db2.gz NIWRMDJRMUDSGI-CQSZACIVSA-N 2 1 264.413 3.194 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccco1 ZINC001258181258 807344350 /nfs/dbraw/zinc/34/43/50/807344350.db2.gz LPYABRAMCHCGCN-CVEARBPZSA-N 2 1 286.419 3.308 20 0 CGADMP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2ccco2)CC1 ZINC001258192717 807352296 /nfs/dbraw/zinc/35/22/96/807352296.db2.gz PAOHPSPZISUFEV-CQSZACIVSA-N 2 1 264.413 3.017 20 0 CGADMP CSCC[C@@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001258204301 807362952 /nfs/dbraw/zinc/36/29/52/807362952.db2.gz SAHZLCDWLVSAIY-CQSZACIVSA-N 2 1 293.480 3.090 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001168326940 807384589 /nfs/dbraw/zinc/38/45/89/807384589.db2.gz FTONYMSRGKALBI-JCYILVPMSA-N 2 1 258.409 3.306 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CCc2ccccc2F)CC1 ZINC001168328306 807385845 /nfs/dbraw/zinc/38/58/45/807385845.db2.gz DUZIUVOUNKABSL-UHFFFAOYSA-N 2 1 278.415 3.173 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](C3CCCCCCC3)C2)C1 ZINC001258244279 807385935 /nfs/dbraw/zinc/38/59/35/807385935.db2.gz VARODXJOFRCECW-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCCCCCC3)C2)C1 ZINC001258244279 807385942 /nfs/dbraw/zinc/38/59/42/807385942.db2.gz VARODXJOFRCECW-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168458385 807422857 /nfs/dbraw/zinc/42/28/57/807422857.db2.gz FAWBCCRNOMFKFJ-COXVUDFISA-N 2 1 278.415 3.219 20 0 CGADMP COc1ccc(CC[C@H](C)[N@@H+](CCC[NH3+])C(C)C)cc1 ZINC001258389476 807437118 /nfs/dbraw/zinc/43/71/18/807437118.db2.gz PQXPQVPEFKPHNG-HNNXBMFYSA-N 2 1 278.440 3.076 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258461867 807465663 /nfs/dbraw/zinc/46/56/63/807465663.db2.gz QCSAVEWMOQIPFE-BMFZPTHFSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@H](CC1CC1)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258461867 807465666 /nfs/dbraw/zinc/46/56/66/807465666.db2.gz QCSAVEWMOQIPFE-BMFZPTHFSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@H](CC1CC1)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001258461867 807465672 /nfs/dbraw/zinc/46/56/72/807465672.db2.gz QCSAVEWMOQIPFE-BMFZPTHFSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@H](CC1CC1)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001258461867 807465676 /nfs/dbraw/zinc/46/56/76/807465676.db2.gz QCSAVEWMOQIPFE-BMFZPTHFSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC(C)(C)C1 ZINC001258699443 807552185 /nfs/dbraw/zinc/55/21/85/807552185.db2.gz FHJGWNIHRBGOLT-HLLBOEOZSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC(C)(C)C1 ZINC001258699443 807552188 /nfs/dbraw/zinc/55/21/88/807552188.db2.gz FHJGWNIHRBGOLT-HLLBOEOZSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC(C)(C)C1 ZINC001258699443 807552193 /nfs/dbraw/zinc/55/21/93/807552193.db2.gz FHJGWNIHRBGOLT-HLLBOEOZSA-N 2 1 264.457 3.229 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258704656 807560445 /nfs/dbraw/zinc/56/04/45/807560445.db2.gz SRYRCKJYJPZJPV-CAOSSQGBSA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258704656 807560447 /nfs/dbraw/zinc/56/04/47/807560447.db2.gz SRYRCKJYJPZJPV-CAOSSQGBSA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258704656 807560448 /nfs/dbraw/zinc/56/04/48/807560448.db2.gz SRYRCKJYJPZJPV-CAOSSQGBSA-N 2 1 264.457 3.085 20 0 CGADMP CCN(CC)C[C@@H]1C[N@@H+]([C@H]2C[C@H](C)CC(C)(C)C2)CCO1 ZINC001258705922 807560496 /nfs/dbraw/zinc/56/04/96/807560496.db2.gz ZRWQGPHDVSIJKL-YESZJQIVSA-N 2 1 296.499 3.244 20 0 CGADMP CCN(CC)C[C@@H]1C[N@H+]([C@H]2C[C@H](C)CC(C)(C)C2)CCO1 ZINC001258705922 807560497 /nfs/dbraw/zinc/56/04/97/807560497.db2.gz ZRWQGPHDVSIJKL-YESZJQIVSA-N 2 1 296.499 3.244 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC001169091765 807571002 /nfs/dbraw/zinc/57/10/02/807571002.db2.gz UXZRCRXJHACFIN-RTCCRHLQSA-N 2 1 270.829 3.116 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC001169091765 807571006 /nfs/dbraw/zinc/57/10/06/807571006.db2.gz UXZRCRXJHACFIN-RTCCRHLQSA-N 2 1 270.829 3.116 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(Cl)cc1)C2 ZINC001169091164 807572028 /nfs/dbraw/zinc/57/20/28/807572028.db2.gz OMQRWCBNHOQUJJ-MUJYYYPQSA-N 2 1 278.827 3.097 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC(c3ccccc3)C1)C2 ZINC001169102290 807578082 /nfs/dbraw/zinc/57/80/82/807578082.db2.gz YZEPBTNYYDZVPQ-NJZDOBRDSA-N 2 1 270.420 3.147 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101243 807579074 /nfs/dbraw/zinc/57/90/74/807579074.db2.gz PUMGQPLAARBIEN-OSMBCOQSSA-N 2 1 292.854 3.486 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1csc(Cl)c1)C2 ZINC001169106904 807579652 /nfs/dbraw/zinc/57/96/52/807579652.db2.gz AYDXBYZVGKLTNM-ZSBIGDGJSA-N 2 1 270.829 3.116 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1csc(Cl)c1)C2 ZINC001169106904 807579657 /nfs/dbraw/zinc/57/96/57/807579657.db2.gz AYDXBYZVGKLTNM-ZSBIGDGJSA-N 2 1 270.829 3.116 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1cccc(Cl)c1 ZINC001258737853 807583860 /nfs/dbraw/zinc/58/38/60/807583860.db2.gz IGHSDSISZLVOLT-CYBMUJFWSA-N 2 1 268.832 3.332 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139000 807587864 /nfs/dbraw/zinc/58/78/64/807587864.db2.gz LOUKJXXFNQPDPS-BJWYYQGGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccccc1C[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139000 807587867 /nfs/dbraw/zinc/58/78/67/807587867.db2.gz LOUKJXXFNQPDPS-BJWYYQGGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccccc1C[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139000 807587871 /nfs/dbraw/zinc/58/78/71/807587871.db2.gz LOUKJXXFNQPDPS-BJWYYQGGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169138649 807588068 /nfs/dbraw/zinc/58/80/68/807588068.db2.gz RXXZFQAUNYSLMN-CJNGLKHVSA-N 2 1 261.413 3.346 20 0 CGADMP Cc1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001169138349 807588652 /nfs/dbraw/zinc/58/86/52/807588652.db2.gz PTDNCPIKSAGZEZ-CJNGLKHVSA-N 2 1 261.413 3.346 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001169148461 807593470 /nfs/dbraw/zinc/59/34/70/807593470.db2.gz ZLNXIIUKWOBMSI-ALYAQQCSSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001169148461 807593471 /nfs/dbraw/zinc/59/34/71/807593471.db2.gz ZLNXIIUKWOBMSI-ALYAQQCSSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001169148461 807593475 /nfs/dbraw/zinc/59/34/75/807593475.db2.gz ZLNXIIUKWOBMSI-ALYAQQCSSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001169148461 807593478 /nfs/dbraw/zinc/59/34/78/807593478.db2.gz ZLNXIIUKWOBMSI-ALYAQQCSSA-N 2 1 262.441 3.124 20 0 CGADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258756021 807596626 /nfs/dbraw/zinc/59/66/26/807596626.db2.gz FSXHBPQJZJYEBL-ZWKOTPCHSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258756021 807596632 /nfs/dbraw/zinc/59/66/32/807596632.db2.gz FSXHBPQJZJYEBL-ZWKOTPCHSA-N 2 1 296.499 3.436 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)c2ccccc2C)CC1 ZINC001169242174 807612166 /nfs/dbraw/zinc/61/21/66/807612166.db2.gz YAMJOUMBTYQBPK-UHFFFAOYSA-N 2 1 260.425 3.304 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001169255529 807615757 /nfs/dbraw/zinc/61/57/57/807615757.db2.gz QVHZHLIFIVFPSP-UHFFFAOYSA-N 2 1 290.426 3.489 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2OC)CC1 ZINC001169258363 807616984 /nfs/dbraw/zinc/61/69/84/807616984.db2.gz JRLQAJHDLIRKPT-QGZVFWFLSA-N 2 1 288.435 3.316 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2OC)CC1 ZINC001169258363 807616987 /nfs/dbraw/zinc/61/69/87/807616987.db2.gz JRLQAJHDLIRKPT-QGZVFWFLSA-N 2 1 288.435 3.316 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258798729 807620251 /nfs/dbraw/zinc/62/02/51/807620251.db2.gz XZLPAGZFDLNCEK-ZJIFWQFVSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C1CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001258806077 807626406 /nfs/dbraw/zinc/62/64/06/807626406.db2.gz IBPWJASKJMOVRL-UHFFFAOYSA-N 2 1 264.457 3.371 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258851091 807659530 /nfs/dbraw/zinc/65/95/30/807659530.db2.gz NXYLCHMBEFSBNE-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258851091 807659532 /nfs/dbraw/zinc/65/95/32/807659532.db2.gz NXYLCHMBEFSBNE-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258851091 807659534 /nfs/dbraw/zinc/65/95/34/807659534.db2.gz NXYLCHMBEFSBNE-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC001258908644 807672248 /nfs/dbraw/zinc/67/22/48/807672248.db2.gz ZMCHHFWCTKMWGW-HNNXBMFYSA-N 2 1 278.440 3.335 20 0 CGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnc(Cl)c1 ZINC001261276363 807728723 /nfs/dbraw/zinc/72/87/23/807728723.db2.gz GDPFCROVWPLNPX-HLVVYCRESA-N 2 1 279.815 3.011 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnc(Cl)c1 ZINC001261276363 807728734 /nfs/dbraw/zinc/72/87/34/807728734.db2.gz GDPFCROVWPLNPX-HLVVYCRESA-N 2 1 279.815 3.011 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170118475 807765248 /nfs/dbraw/zinc/76/52/48/807765248.db2.gz SNYKQPOBOGBMST-TUUVXOQKSA-N 2 1 250.430 3.157 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccccc1Cl ZINC001170251398 807804597 /nfs/dbraw/zinc/80/45/97/807804597.db2.gz ZPSUMRABYCLTKQ-LLVKDONJSA-N 2 1 277.799 3.150 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001170255675 807806570 /nfs/dbraw/zinc/80/65/70/807806570.db2.gz VHEFGDRKEQZZPH-HIFRSBDPSA-N 2 1 280.843 3.345 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001170598007 807863531 /nfs/dbraw/zinc/86/35/31/807863531.db2.gz GGSZMBZGZYOIGY-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001170598007 807863539 /nfs/dbraw/zinc/86/35/39/807863539.db2.gz GGSZMBZGZYOIGY-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCCC[C@H](CC)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001170598007 807863547 /nfs/dbraw/zinc/86/35/47/807863547.db2.gz GGSZMBZGZYOIGY-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCCC[C@H](CC)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001170598007 807863549 /nfs/dbraw/zinc/86/35/49/807863549.db2.gz GGSZMBZGZYOIGY-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001262378559 807863901 /nfs/dbraw/zinc/86/39/01/807863901.db2.gz FXDWZHYXPGBBLX-KSZLIROESA-N 2 1 272.436 3.157 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170667467 807871286 /nfs/dbraw/zinc/87/12/86/807871286.db2.gz VGKGENLBOYOBTC-NRXISQOPSA-N 2 1 294.389 3.024 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001171681657 808123056 /nfs/dbraw/zinc/12/30/56/808123056.db2.gz KVFJIRFFTDDFSI-QXAKKESOSA-N 2 1 286.463 3.200 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC001172098846 808169979 /nfs/dbraw/zinc/16/99/79/808169979.db2.gz CKLWROMXRBCVPT-QDMKHBRRSA-N 2 1 280.362 3.070 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC001172098846 808169982 /nfs/dbraw/zinc/16/99/82/808169982.db2.gz CKLWROMXRBCVPT-QDMKHBRRSA-N 2 1 280.362 3.070 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(C[NH3+])c3ccccc31)C2 ZINC001172098173 808170986 /nfs/dbraw/zinc/17/09/86/808170986.db2.gz BDCSJBFJPXFLPL-ZSHCYNCHSA-N 2 1 283.419 3.288 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(F)CCCCC1)C2 ZINC001172100132 808171679 /nfs/dbraw/zinc/17/16/79/808171679.db2.gz PIKFMQSIMRWEPJ-QDMKHBRRSA-N 2 1 268.420 3.264 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099431 808171853 /nfs/dbraw/zinc/17/18/53/808171853.db2.gz HHBLBTSXKQOFHM-LJIZCISZSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099431 808171858 /nfs/dbraw/zinc/17/18/58/808171858.db2.gz HHBLBTSXKQOFHM-LJIZCISZSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCSCc1ccco1)C2 ZINC001172102160 808172515 /nfs/dbraw/zinc/17/25/15/808172515.db2.gz KISLYIYDZOMXIB-QKDCVEJESA-N 2 1 294.464 3.118 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102821 808175110 /nfs/dbraw/zinc/17/51/10/808175110.db2.gz PDOZUUSZWOFLSB-QSPRXWTASA-N 2 1 288.435 3.361 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102821 808175112 /nfs/dbraw/zinc/17/51/12/808175112.db2.gz PDOZUUSZWOFLSB-QSPRXWTASA-N 2 1 288.435 3.361 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccccc3C1)C2 ZINC001172105962 808176816 /nfs/dbraw/zinc/17/68/16/808176816.db2.gz LPZSIARXKFCHKU-MKXGPGLRSA-N 2 1 284.447 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccccc3C1)C2 ZINC001172105962 808176820 /nfs/dbraw/zinc/17/68/20/808176820.db2.gz LPZSIARXKFCHKU-MKXGPGLRSA-N 2 1 284.447 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)C2 ZINC001172109234 808177885 /nfs/dbraw/zinc/17/78/85/808177885.db2.gz IPZAGGMWWWKLGI-XLMAVXFVSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC1CCOCC1)C2 ZINC001172110389 808179371 /nfs/dbraw/zinc/17/93/71/808179371.db2.gz MCWKUMLXJCPELZ-BJWYYQGGSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC1CCOCC1)C2 ZINC001172110389 808179374 /nfs/dbraw/zinc/17/93/74/808179374.db2.gz MCWKUMLXJCPELZ-BJWYYQGGSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001172117814 808181098 /nfs/dbraw/zinc/18/10/98/808181098.db2.gz NHNNSICFBWAKFA-QDMKHBRRSA-N 2 1 288.410 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001172117814 808181103 /nfs/dbraw/zinc/18/11/03/808181103.db2.gz NHNNSICFBWAKFA-QDMKHBRRSA-N 2 1 288.410 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC3(CCCCC3)C1)C2 ZINC001172129165 808184877 /nfs/dbraw/zinc/18/48/77/808184877.db2.gz XGUVWDXGMPIHHK-FVQHAEBGSA-N 2 1 292.467 3.037 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCOC3(CCCCC3)C1)C2 ZINC001172129165 808184879 /nfs/dbraw/zinc/18/48/79/808184879.db2.gz XGUVWDXGMPIHHK-FVQHAEBGSA-N 2 1 292.467 3.037 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCOC3(CCCCC3)C1)C2 ZINC001172129165 808184886 /nfs/dbraw/zinc/18/48/86/808184886.db2.gz XGUVWDXGMPIHHK-FVQHAEBGSA-N 2 1 292.467 3.037 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172124615 808186113 /nfs/dbraw/zinc/18/61/13/808186113.db2.gz LZSHUPCLOORVNQ-BWTSREIZSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172124615 808186117 /nfs/dbraw/zinc/18/61/17/808186117.db2.gz LZSHUPCLOORVNQ-BWTSREIZSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172124615 808186118 /nfs/dbraw/zinc/18/61/18/808186118.db2.gz LZSHUPCLOORVNQ-BWTSREIZSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172124615 808186120 /nfs/dbraw/zinc/18/61/20/808186120.db2.gz LZSHUPCLOORVNQ-BWTSREIZSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172124615 808186124 /nfs/dbraw/zinc/18/61/24/808186124.db2.gz LZSHUPCLOORVNQ-BWTSREIZSA-N 2 1 286.463 3.485 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172361077 808254941 /nfs/dbraw/zinc/25/49/41/808254941.db2.gz ZFISUOWMKLCHHA-VJQRDGCPSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@@H]1C ZINC001172365667 808260721 /nfs/dbraw/zinc/26/07/21/808260721.db2.gz AOCDGLCGSRBYKD-VYDXJSESSA-N 2 1 287.451 3.156 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C[C@@H]1C ZINC001172375595 808269915 /nfs/dbraw/zinc/26/99/15/808269915.db2.gz DHOYMJMBWYOWTJ-KEYYUXOJSA-N 2 1 264.457 3.370 20 0 CGADMP CCOCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172421657 808303832 /nfs/dbraw/zinc/30/38/32/808303832.db2.gz UTIVYHXHJHDTKP-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP CCCCCC[C@@H](CCCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172516030 808367572 /nfs/dbraw/zinc/36/75/72/808367572.db2.gz FLHCOBBNPVEPOF-HZPDHXFCSA-N 2 1 295.471 3.447 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172556504 808385295 /nfs/dbraw/zinc/38/52/95/808385295.db2.gz JHFQPFRUQXAFFZ-DDBAPUKQSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172556504 808385300 /nfs/dbraw/zinc/38/53/00/808385300.db2.gz JHFQPFRUQXAFFZ-DDBAPUKQSA-N 2 1 272.436 3.253 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1c(F)cccc1Cl ZINC001172837102 808453615 /nfs/dbraw/zinc/45/36/15/808453615.db2.gz KSYCXKLBIIXDTI-LBPRGKRZSA-N 2 1 286.822 3.471 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001172839303 808454615 /nfs/dbraw/zinc/45/46/15/808454615.db2.gz PQNINNULAIGCSJ-IBGZPJMESA-N 2 1 284.447 3.022 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172844013 808457664 /nfs/dbraw/zinc/45/76/64/808457664.db2.gz GDZKWJCKXUPYAP-LBPRGKRZSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)CCC[NH+](C)C ZINC001172863846 808468267 /nfs/dbraw/zinc/46/82/67/808468267.db2.gz LJFIATNAVCLMFN-LBPRGKRZSA-N 2 1 286.822 3.294 20 0 CGADMP CCC[NH+](CCC)CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039549 808496516 /nfs/dbraw/zinc/49/65/16/808496516.db2.gz LNTJDCCJQBWZBQ-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC(OCCC)CC1 ZINC001173091133 808505140 /nfs/dbraw/zinc/50/51/40/808505140.db2.gz OAKDQLZSHALVRK-UHFFFAOYSA-N 2 1 284.488 3.436 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(OCCC)CC1 ZINC001173091133 808505146 /nfs/dbraw/zinc/50/51/46/808505146.db2.gz OAKDQLZSHALVRK-UHFFFAOYSA-N 2 1 284.488 3.436 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001173114321 808513023 /nfs/dbraw/zinc/51/30/23/808513023.db2.gz GISIWSQWGPRZKC-YMAMQOFZSA-N 2 1 286.410 3.371 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001173112596 808513583 /nfs/dbraw/zinc/51/35/83/808513583.db2.gz APAMADJWCPVHQK-LMPOIIKSSA-N 2 1 250.430 3.124 20 0 CGADMP CCc1ccc(C[C@H](C)n2cc[nH+]c2CCC[NH3+])cc1 ZINC001173252992 808559746 /nfs/dbraw/zinc/55/97/46/808559746.db2.gz OJJCMWRNTQMWGX-AWEZNQCLSA-N 2 1 271.408 3.141 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001275046032 808901018 /nfs/dbraw/zinc/90/10/18/808901018.db2.gz WMYSBAHJBITBCG-UHFFFAOYSA-N 2 1 278.362 3.137 20 0 CGADMP CSCCC[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275112954 808909198 /nfs/dbraw/zinc/90/91/98/808909198.db2.gz UYAVRBPXRIQKGM-IYBDPMFKSA-N 2 1 296.524 3.326 20 0 CGADMP CSCCC[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275112954 808909202 /nfs/dbraw/zinc/90/92/02/808909202.db2.gz UYAVRBPXRIQKGM-IYBDPMFKSA-N 2 1 296.524 3.326 20 0 CGADMP CSCCC[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275112954 808909213 /nfs/dbraw/zinc/90/92/13/808909213.db2.gz UYAVRBPXRIQKGM-IYBDPMFKSA-N 2 1 296.524 3.326 20 0 CGADMP Cc1ccccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275278353 808924970 /nfs/dbraw/zinc/92/49/70/808924970.db2.gz IXTBVMUCKOXDLI-UHFFFAOYSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)ccc1O ZINC001275306145 808928610 /nfs/dbraw/zinc/92/86/10/808928610.db2.gz BFJOPANXGVFTSY-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)ccc1O ZINC001275306145 808928619 /nfs/dbraw/zinc/92/86/19/808928619.db2.gz BFJOPANXGVFTSY-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1O ZINC001275306145 808928626 /nfs/dbraw/zinc/92/86/26/808928626.db2.gz BFJOPANXGVFTSY-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1O ZINC001275306145 808928632 /nfs/dbraw/zinc/92/86/32/808928632.db2.gz BFJOPANXGVFTSY-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C(F)F ZINC001275391556 808934527 /nfs/dbraw/zinc/93/45/27/808934527.db2.gz MMFHXVZPRFSPAX-AGUYFDCRSA-N 2 1 280.362 3.339 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C(F)F ZINC001275391556 808934534 /nfs/dbraw/zinc/93/45/34/808934534.db2.gz MMFHXVZPRFSPAX-AGUYFDCRSA-N 2 1 280.362 3.339 20 0 CGADMP CNc1ccccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275546185 808947669 /nfs/dbraw/zinc/94/76/69/808947669.db2.gz SHPBRDSSQFCAKT-UHFFFAOYSA-N 2 1 287.451 3.036 20 0 CGADMP Cc1ccc2[nH]cc(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)c2c1 ZINC001276054282 808986074 /nfs/dbraw/zinc/98/60/74/808986074.db2.gz HCRVDTLAYIDQHM-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3coc4ccccc34)C[C@H]2CC1 ZINC001276124692 808989487 /nfs/dbraw/zinc/98/94/87/808989487.db2.gz FKBNGDHQIVEKIZ-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3coc4ccccc34)C[C@H]2CC1 ZINC001276124692 808989491 /nfs/dbraw/zinc/98/94/91/808989491.db2.gz FKBNGDHQIVEKIZ-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3coc4ccccc34)C[C@H]2CC1 ZINC001276124692 808989496 /nfs/dbraw/zinc/98/94/96/808989496.db2.gz FKBNGDHQIVEKIZ-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276170209 808990766 /nfs/dbraw/zinc/99/07/66/808990766.db2.gz SYODEFWAEDEJQI-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc(C)n1 ZINC001276397188 809006069 /nfs/dbraw/zinc/00/60/69/809006069.db2.gz CJLDPGCXDOPAIM-UHFFFAOYSA-N 2 1 287.451 3.006 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC001276401674 809006881 /nfs/dbraw/zinc/00/68/81/809006881.db2.gz JZMYOKWEFMFUEZ-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1cc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)cnc1C ZINC001276869774 809038763 /nfs/dbraw/zinc/03/87/63/809038763.db2.gz IEDNPIRNPDHMLO-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc[nH+]c(N2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001277681614 809089515 /nfs/dbraw/zinc/08/95/15/809089515.db2.gz WEZFKJITQVAASE-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP CC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277806061 809097940 /nfs/dbraw/zinc/09/79/40/809097940.db2.gz BPKBGGQBPDZXDB-HNNXBMFYSA-N 2 1 275.440 3.101 20 0 CGADMP Cc1ccc(CC[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001278072083 809113866 /nfs/dbraw/zinc/11/38/66/809113866.db2.gz DJZIKPQJVNQZFN-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001278072083 809113867 /nfs/dbraw/zinc/11/38/67/809113867.db2.gz DJZIKPQJVNQZFN-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(CC[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001278072083 809113869 /nfs/dbraw/zinc/11/38/69/809113869.db2.gz DJZIKPQJVNQZFN-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(C)c(Nc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC001176223986 809650266 /nfs/dbraw/zinc/65/02/66/809650266.db2.gz NHNXNOKFYHIKKN-UHFFFAOYSA-N 2 1 285.391 3.382 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001177295204 809791922 /nfs/dbraw/zinc/79/19/22/809791922.db2.gz ZHNWIIKGPNPXAG-XDNAFOTISA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001178916863 809894357 /nfs/dbraw/zinc/89/43/57/809894357.db2.gz PRIFPAAFSRMQRZ-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001178934074 809895445 /nfs/dbraw/zinc/89/54/45/809895445.db2.gz HXYWJDAJVHAXLO-ZIAGYGMSSA-N 2 1 270.486 3.125 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001178934074 809895448 /nfs/dbraw/zinc/89/54/48/809895448.db2.gz HXYWJDAJVHAXLO-ZIAGYGMSSA-N 2 1 270.486 3.125 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001182153057 810096172 /nfs/dbraw/zinc/09/61/72/810096172.db2.gz WRRFLEBWPFMRLI-CYBMUJFWSA-N 2 1 284.394 3.217 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001182153057 810096174 /nfs/dbraw/zinc/09/61/74/810096174.db2.gz WRRFLEBWPFMRLI-CYBMUJFWSA-N 2 1 284.394 3.217 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC001183370900 810146234 /nfs/dbraw/zinc/14/62/34/810146234.db2.gz MSIPNQGBSZIAET-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC001183370900 810146235 /nfs/dbraw/zinc/14/62/35/810146235.db2.gz MSIPNQGBSZIAET-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC001183370900 810146236 /nfs/dbraw/zinc/14/62/36/810146236.db2.gz MSIPNQGBSZIAET-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC001183370900 810146237 /nfs/dbraw/zinc/14/62/37/810146237.db2.gz MSIPNQGBSZIAET-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP CCc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(C)n1 ZINC001184998181 810228390 /nfs/dbraw/zinc/22/83/90/810228390.db2.gz AZUTZDLTAHHEMH-HZSPNIEDSA-N 2 1 290.455 3.126 20 0 CGADMP C[C@H]1CCC[C@H](CC[N@@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC001194881786 811161960 /nfs/dbraw/zinc/16/19/60/811161960.db2.gz DCNRYXHARPZBIQ-ZWKOTPCHSA-N 2 1 297.531 3.018 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CC3CCC4(CC4)CC3)C[C@]2(C)C1 ZINC001196631447 811355747 /nfs/dbraw/zinc/35/57/47/811355747.db2.gz FRGBXAHKDMJLKL-IRXDYDNUSA-N 2 1 276.468 3.230 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001197544677 811428645 /nfs/dbraw/zinc/42/86/45/811428645.db2.gz ZXLFWZZOOLZWPB-KRWDZBQOSA-N 2 1 294.414 3.011 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001197544677 811428650 /nfs/dbraw/zinc/42/86/50/811428650.db2.gz ZXLFWZZOOLZWPB-KRWDZBQOSA-N 2 1 294.414 3.011 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001198918880 811551660 /nfs/dbraw/zinc/55/16/60/811551660.db2.gz QHEHDMOAWAEERH-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC001198942989 811552895 /nfs/dbraw/zinc/55/28/95/811552895.db2.gz MRIQCVZCIGWQRR-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC001200256673 811656199 /nfs/dbraw/zinc/65/61/99/811656199.db2.gz VGGSMGSZDCPMJD-KZNAEPCWSA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC001200256673 811656204 /nfs/dbraw/zinc/65/62/04/811656204.db2.gz VGGSMGSZDCPMJD-KZNAEPCWSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCC1CCOCC1 ZINC001202663999 812149610 /nfs/dbraw/zinc/14/96/10/812149610.db2.gz GHHAMKFDPYISMY-ZWKOTPCHSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccccc2C)CC1 ZINC001203700673 812432502 /nfs/dbraw/zinc/43/25/02/812432502.db2.gz ITQZZJOQUNUYRM-UHFFFAOYSA-N 2 1 295.430 3.437 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccs2)CC1 ZINC001204015559 812520162 /nfs/dbraw/zinc/52/01/62/812520162.db2.gz XQQZSBLZEJZICA-UHFFFAOYSA-N 2 1 266.454 3.300 20 0 CGADMP Oc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001204093380 812548636 /nfs/dbraw/zinc/54/86/36/812548636.db2.gz GKQLFIAFFKCDHX-KRWDZBQOSA-N 2 1 288.435 3.233 20 0 CGADMP Oc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001204093380 812548641 /nfs/dbraw/zinc/54/86/41/812548641.db2.gz GKQLFIAFFKCDHX-KRWDZBQOSA-N 2 1 288.435 3.233 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001204169213 812562768 /nfs/dbraw/zinc/56/27/68/812562768.db2.gz LAQQSFAGBIKIHE-HDICACEKSA-N 2 1 272.436 3.194 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001204169213 812562771 /nfs/dbraw/zinc/56/27/71/812562771.db2.gz LAQQSFAGBIKIHE-HDICACEKSA-N 2 1 272.436 3.194 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001204169213 812562776 /nfs/dbraw/zinc/56/27/76/812562776.db2.gz LAQQSFAGBIKIHE-HDICACEKSA-N 2 1 272.436 3.194 20 0 CGADMP CC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CCN(C)CC1 ZINC001204283879 812596536 /nfs/dbraw/zinc/59/65/36/812596536.db2.gz GUGMKYWSPFTPDF-UHFFFAOYSA-N 2 1 284.806 3.395 20 0 CGADMP CCN(Cc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001204283879 812596538 /nfs/dbraw/zinc/59/65/38/812596538.db2.gz GUGMKYWSPFTPDF-UHFFFAOYSA-N 2 1 284.806 3.395 20 0 CGADMP C[NH+](C)Cc1ccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)cc1 ZINC001204613195 812691439 /nfs/dbraw/zinc/69/14/39/812691439.db2.gz LPRHRBZORJGCPM-UHFFFAOYSA-N 2 1 295.308 3.411 20 0 CGADMP COc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204661005 812702703 /nfs/dbraw/zinc/70/27/03/812702703.db2.gz STGQCNDERADXDO-UHFFFAOYSA-N 2 1 296.414 3.158 20 0 CGADMP COc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204661005 812702711 /nfs/dbraw/zinc/70/27/11/812702711.db2.gz STGQCNDERADXDO-UHFFFAOYSA-N 2 1 296.414 3.158 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC001205009601 812822211 /nfs/dbraw/zinc/82/22/11/812822211.db2.gz YSNNAPPSHUTDGL-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001205093892 812859244 /nfs/dbraw/zinc/85/92/44/812859244.db2.gz HMOSOAKUBICDHS-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123908 812875628 /nfs/dbraw/zinc/87/56/28/812875628.db2.gz GYSIANJVHLUJOF-INIZCTEOSA-N 2 1 276.424 3.095 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1OC(C)C ZINC001205124117 812877051 /nfs/dbraw/zinc/87/70/51/812877051.db2.gz KKULVHMWTSPCML-MRXNPFEDSA-N 2 1 276.424 3.095 20 0 CGADMP c1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001205164263 812893073 /nfs/dbraw/zinc/89/30/73/812893073.db2.gz BTFLJQUCQMFEKA-IAGOWNOFSA-N 2 1 258.409 3.356 20 0 CGADMP c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001205164263 812893082 /nfs/dbraw/zinc/89/30/82/812893082.db2.gz BTFLJQUCQMFEKA-IAGOWNOFSA-N 2 1 258.409 3.356 20 0 CGADMP c1cc2n(c1C[N@H+]1CCCC[C@@H]1c1ccccc1)CC[NH2+]C2 ZINC001205171731 812897159 /nfs/dbraw/zinc/89/71/59/812897159.db2.gz WKCXSBOEIDJJFR-LJQANCHMSA-N 2 1 295.430 3.319 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001205273707 812925731 /nfs/dbraw/zinc/92/57/31/812925731.db2.gz PEQIRGHSHDUNHX-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288005 812932005 /nfs/dbraw/zinc/93/20/05/812932005.db2.gz FOIYCNPLPKBWCB-QGZVFWFLSA-N 2 1 260.425 3.261 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)sc1C ZINC001205289396 812933598 /nfs/dbraw/zinc/93/35/98/812933598.db2.gz XTWCSAYYXGETSQ-AWEZNQCLSA-N 2 1 252.427 3.068 20 0 CGADMP CC(C)Oc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)ccc1F ZINC001205295729 812936495 /nfs/dbraw/zinc/93/64/95/812936495.db2.gz BHOSVTLXYCNIHR-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1F ZINC001205295729 812936498 /nfs/dbraw/zinc/93/64/98/812936498.db2.gz BHOSVTLXYCNIHR-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205296629 812937134 /nfs/dbraw/zinc/93/71/34/812937134.db2.gz RUPBOEFLIUPSSY-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205304769 812944374 /nfs/dbraw/zinc/94/43/74/812944374.db2.gz PQCPWYXKVZPGAL-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205304769 812944381 /nfs/dbraw/zinc/94/43/81/812944381.db2.gz PQCPWYXKVZPGAL-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318203 812950113 /nfs/dbraw/zinc/95/01/13/812950113.db2.gz SUVVQYZSEVUSCM-GXTWGEPZSA-N 2 1 266.816 3.065 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC001205537188 812996311 /nfs/dbraw/zinc/99/63/11/812996311.db2.gz FGLRSZZJUHMBFZ-KRWDZBQOSA-N 2 1 278.415 3.162 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC001205578661 813010890 /nfs/dbraw/zinc/01/08/90/813010890.db2.gz IGCXWZCOARIWCH-LBPRGKRZSA-N 2 1 276.808 3.054 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(C)c1 ZINC001205603578 813019194 /nfs/dbraw/zinc/01/91/94/813019194.db2.gz QMWDVYNJYMGJAR-ZBFHGGJFSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205603514 813019801 /nfs/dbraw/zinc/01/98/01/813019801.db2.gz PQGMNBMQHOOGNS-JSGCOSHPSA-N 2 1 298.377 3.095 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205604798 813021037 /nfs/dbraw/zinc/02/10/37/813021037.db2.gz XFMHTVBJZVJLJK-CVEARBPZSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC001205604680 813021653 /nfs/dbraw/zinc/02/16/53/813021653.db2.gz VZOMJUOUGPZRBC-HOCLYGCPSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)CC[C@H]1C[NH3+] ZINC001205605169 813022017 /nfs/dbraw/zinc/02/20/17/813022017.db2.gz ZNRNHFOLDAQONC-JSGCOSHPSA-N 2 1 274.399 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)CC[C@H]1C[NH3+] ZINC001205615767 813025920 /nfs/dbraw/zinc/02/59/20/813025920.db2.gz AVROOVPSMKYBMQ-OLZOCXBDSA-N 2 1 289.448 3.103 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205617410 813026938 /nfs/dbraw/zinc/02/69/38/813026938.db2.gz JLNCWTDEKTYRDU-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP CC(C)(CC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1)c1ccccc1 ZINC001205735928 813063407 /nfs/dbraw/zinc/06/34/07/813063407.db2.gz RYCIDTHKFZWISF-OAHLLOKOSA-N 2 1 296.405 3.270 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205736500 813064511 /nfs/dbraw/zinc/06/45/11/813064511.db2.gz ZXKKQDOKDVRURQ-NQHOJNORSA-N 2 1 274.399 3.429 20 0 CGADMP COc1ccc2cc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205805801 813085737 /nfs/dbraw/zinc/08/57/37/813085737.db2.gz RWBAPPOFLUXIFN-KDOFPFPSSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205805801 813085747 /nfs/dbraw/zinc/08/57/47/813085747.db2.gz RWBAPPOFLUXIFN-KDOFPFPSSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1C ZINC001205830020 813100518 /nfs/dbraw/zinc/10/05/18/813100518.db2.gz QRJMKFVIKIHTIS-YVEFUNNKSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1C ZINC001205830020 813100523 /nfs/dbraw/zinc/10/05/23/813100523.db2.gz QRJMKFVIKIHTIS-YVEFUNNKSA-N 2 1 260.425 3.171 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccncc2C)CC1 ZINC001205873970 813116264 /nfs/dbraw/zinc/11/62/64/813116264.db2.gz XOLQQLNILBEWEM-UHFFFAOYSA-N 2 1 275.440 3.086 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccncc2C)CC1 ZINC001205873970 813116268 /nfs/dbraw/zinc/11/62/68/813116268.db2.gz XOLQQLNILBEWEM-UHFFFAOYSA-N 2 1 275.440 3.086 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205901152 813122808 /nfs/dbraw/zinc/12/28/08/813122808.db2.gz BIEZPIBJLPBJJG-QAPCUYQASA-N 2 1 274.452 3.412 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901567 813123194 /nfs/dbraw/zinc/12/31/94/813123194.db2.gz DGCMZPDMDJUUDB-CABCVRRESA-N 2 1 285.435 3.220 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCCc1ccccc1 ZINC001205903068 813124028 /nfs/dbraw/zinc/12/40/28/813124028.db2.gz NLUAEZCBTRSHPB-WMZOPIPTSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1C1CC1 ZINC001205903887 813126803 /nfs/dbraw/zinc/12/68/03/813126803.db2.gz RVSLSXMBIOQBHP-HIFRSBDPSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCC1CCCCC1 ZINC001205904741 813128292 /nfs/dbraw/zinc/12/82/92/813128292.db2.gz XCBYCVYGUIFEIL-GOEBONIOSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c2ccoc21 ZINC001205914082 813130846 /nfs/dbraw/zinc/13/08/46/813130846.db2.gz KXESHPSYLZDMNG-NWDGAFQWSA-N 2 1 276.355 3.131 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001205923087 813135959 /nfs/dbraw/zinc/13/59/59/813135959.db2.gz IHGDULYYIWWQCF-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001205923087 813135962 /nfs/dbraw/zinc/13/59/62/813135962.db2.gz IHGDULYYIWWQCF-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP CCc1cccc2c(C[N@@H+]3CCCC[C@@H]([NH3+])C3)c[nH]c21 ZINC001205931490 813139401 /nfs/dbraw/zinc/13/94/01/813139401.db2.gz JUHBNJFRXCEWDJ-OAHLLOKOSA-N 2 1 271.408 3.044 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCCC[C@@H]([NH3+])C3)c[nH]c21 ZINC001205931490 813139404 /nfs/dbraw/zinc/13/94/04/813139404.db2.gz JUHBNJFRXCEWDJ-OAHLLOKOSA-N 2 1 271.408 3.044 20 0 CGADMP C[C@H]1C[N@@H+](CCCCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205980818 813151219 /nfs/dbraw/zinc/15/12/19/813151219.db2.gz AFQACISXHWIXJX-WMZOPIPTSA-N 2 1 274.452 3.316 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205980996 813151272 /nfs/dbraw/zinc/15/12/72/813151272.db2.gz AQIQXBABDYFDKD-HOTGVXAUSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1C[N@@H+](Cc2nc3ccccc3s2)CCC[C@@H]1C[NH3+] ZINC001205992063 813154984 /nfs/dbraw/zinc/15/49/84/813154984.db2.gz DEZXASFVSJQAIT-QWHCGFSZSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205992002 813155008 /nfs/dbraw/zinc/15/50/08/813155008.db2.gz CTQPQLUSZLMVEQ-TZMCWYRMSA-N 2 1 266.816 3.147 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205995702 813156593 /nfs/dbraw/zinc/15/65/93/813156593.db2.gz PLBNYEONEKTGDQ-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CCC[C@H]1C[NH3+] ZINC001205996088 813156913 /nfs/dbraw/zinc/15/69/13/813156913.db2.gz UQBSYEOICJHKKC-KGLIPLIRSA-N 2 1 277.456 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3cccnc3c2)CCC[C@H]1C[NH3+] ZINC001206003458 813161038 /nfs/dbraw/zinc/16/10/38/813161038.db2.gz IFXZIZHNMKSDCP-PBHICJAKSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)CCC[C@@H]1C[NH3+] ZINC001206024152 813168737 /nfs/dbraw/zinc/16/87/37/813168737.db2.gz IIDWLHNDYKANOA-GOEBONIOSA-N 2 1 299.418 3.148 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1F ZINC001206026221 813170156 /nfs/dbraw/zinc/17/01/56/813170156.db2.gz QYGMMYJUKHZYPH-UKRRQHHQSA-N 2 1 294.414 3.031 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1C ZINC001206028217 813171337 /nfs/dbraw/zinc/17/13/37/813171337.db2.gz XTQMSKPFLXBJGZ-RDJZCZTQSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC001206109545 813201398 /nfs/dbraw/zinc/20/13/98/813201398.db2.gz BIZLAXSGRMSNSX-UONOGXRCSA-N 2 1 258.409 3.158 20 0 CGADMP C[C@H]1C[N@H+](Cc2cc3c(s2)C[NH2+]CC3)CCC[C@@H]1C ZINC001206109550 813202110 /nfs/dbraw/zinc/20/21/10/813202110.db2.gz BJEPEELRKDCKLM-STQMWFEESA-N 2 1 278.465 3.262 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3sccc3[C@H]2C)CC1 ZINC001206127023 813208068 /nfs/dbraw/zinc/20/80/68/813208068.db2.gz ABIOCZXJRMJWKP-CYBMUJFWSA-N 2 1 278.465 3.399 20 0 CGADMP N[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153231 813214933 /nfs/dbraw/zinc/21/49/33/813214933.db2.gz CHRRMCQXNFYWJU-GJZGRUSLSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153231 813214935 /nfs/dbraw/zinc/21/49/35/813214935.db2.gz CHRRMCQXNFYWJU-GJZGRUSLSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153231 813214937 /nfs/dbraw/zinc/21/49/37/813214937.db2.gz CHRRMCQXNFYWJU-GJZGRUSLSA-N 2 1 284.806 3.034 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1)c1ccccc1 ZINC001206157370 813218214 /nfs/dbraw/zinc/21/82/14/813218214.db2.gz YGYZVDCUXIKBKK-CVEARBPZSA-N 2 1 278.415 3.116 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1)c1ccccc1 ZINC001206157370 813218218 /nfs/dbraw/zinc/21/82/18/813218218.db2.gz YGYZVDCUXIKBKK-CVEARBPZSA-N 2 1 278.415 3.116 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccn3)cc2)CC[C@H]1F ZINC001206176366 813227404 /nfs/dbraw/zinc/22/74/04/813227404.db2.gz ZJOITFHVVQBPGB-IAGOWNOFSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC[C@H]1F ZINC001206176366 813227410 /nfs/dbraw/zinc/22/74/10/813227410.db2.gz ZJOITFHVVQBPGB-IAGOWNOFSA-N 2 1 299.393 3.010 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206183766 813230457 /nfs/dbraw/zinc/23/04/57/813230457.db2.gz HDCAHQDZIIOFSE-CABCVRRESA-N 2 1 292.423 3.471 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206183766 813230463 /nfs/dbraw/zinc/23/04/63/813230463.db2.gz HDCAHQDZIIOFSE-CABCVRRESA-N 2 1 292.423 3.471 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1F ZINC001206184282 813230486 /nfs/dbraw/zinc/23/04/86/813230486.db2.gz IDVLZCIKNQVVRO-HZPDHXFCSA-N 2 1 288.366 3.208 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206188935 813233643 /nfs/dbraw/zinc/23/36/43/813233643.db2.gz WIVAJNKABCKDEF-HZPDHXFCSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206188935 813233651 /nfs/dbraw/zinc/23/36/51/813233651.db2.gz WIVAJNKABCKDEF-HZPDHXFCSA-N 2 1 294.414 3.043 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1F ZINC001206188925 813234047 /nfs/dbraw/zinc/23/40/47/813234047.db2.gz WGJLOQXGKNUNFB-IAGOWNOFSA-N 2 1 299.393 3.010 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206199702 813236465 /nfs/dbraw/zinc/23/64/65/813236465.db2.gz PCMNYDNXSQCOBH-CABCVRRESA-N 2 1 294.414 3.125 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206199702 813236471 /nfs/dbraw/zinc/23/64/71/813236471.db2.gz PCMNYDNXSQCOBH-CABCVRRESA-N 2 1 294.414 3.125 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001206257949 813260181 /nfs/dbraw/zinc/26/01/81/813260181.db2.gz NWPHWCVKAGKQFO-NOLJZWGESA-N 2 1 278.827 3.127 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001206287371 813272873 /nfs/dbraw/zinc/27/28/73/813272873.db2.gz ZJJHICSJNYEFMI-CYBMUJFWSA-N 2 1 272.367 3.020 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001206287371 813272880 /nfs/dbraw/zinc/27/28/80/813272880.db2.gz ZJJHICSJNYEFMI-CYBMUJFWSA-N 2 1 272.367 3.020 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001206292533 813274925 /nfs/dbraw/zinc/27/49/25/813274925.db2.gz COVSMXPRFOXTNB-ULQDDVLXSA-N 2 1 264.457 3.430 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@](C)(C[NH3+])CC1)OCc1ccccc1 ZINC001206292898 813275366 /nfs/dbraw/zinc/27/53/66/813275366.db2.gz FLOXNEGDRDTVAK-WMZOPIPTSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc3ccccc3c2)CC1 ZINC001206304210 813280624 /nfs/dbraw/zinc/28/06/24/813280624.db2.gz HMCOBLQECCYMQY-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)ccc21 ZINC001206305219 813282146 /nfs/dbraw/zinc/28/21/46/813282146.db2.gz WFWAZCLKGJEGKJ-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc(F)c1F ZINC001206310926 813283890 /nfs/dbraw/zinc/28/38/90/813283890.db2.gz FKORXXBCFASGLZ-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001206311403 813284304 /nfs/dbraw/zinc/28/43/04/813284304.db2.gz NVDAHNUQNYONMU-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC001206317037 813287330 /nfs/dbraw/zinc/28/73/30/813287330.db2.gz BHOBYZYZNAFQFU-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)c1 ZINC001206327787 813291216 /nfs/dbraw/zinc/29/12/16/813291216.db2.gz XTDISMWOXAXXNV-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)sc1C ZINC001206370639 813306303 /nfs/dbraw/zinc/30/63/03/813306303.db2.gz OHCMCHQMADLZHL-CQSZACIVSA-N 2 1 270.417 3.018 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)sc1C ZINC001206370639 813306310 /nfs/dbraw/zinc/30/63/10/813306310.db2.gz OHCMCHQMADLZHL-CQSZACIVSA-N 2 1 270.417 3.018 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206549532 813349771 /nfs/dbraw/zinc/34/97/71/813349771.db2.gz ODPLAOKNMNPGJS-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC001206549876 813349893 /nfs/dbraw/zinc/34/98/93/813349893.db2.gz ROGZHXATWJMQFP-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206554895 813350164 /nfs/dbraw/zinc/35/01/64/813350164.db2.gz IAYGSJTWPNPMBK-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206554895 813350168 /nfs/dbraw/zinc/35/01/68/813350168.db2.gz IAYGSJTWPNPMBK-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206554514 813350857 /nfs/dbraw/zinc/35/08/57/813350857.db2.gz DJZSZPRKVHMWDN-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP CSc1ncc(C)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206572921 813358544 /nfs/dbraw/zinc/35/85/44/813358544.db2.gz HSPROAFEFXVDAS-MRXNPFEDSA-N 2 1 293.480 3.063 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1C(C)C ZINC001206622822 813377539 /nfs/dbraw/zinc/37/75/39/813377539.db2.gz HELHIGBTQTWXKH-INIZCTEOSA-N 2 1 290.451 3.379 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1CC ZINC001206622480 813377710 /nfs/dbraw/zinc/37/77/10/813377710.db2.gz CPXMULRBVYUROM-INIZCTEOSA-N 2 1 290.451 3.209 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001206623838 813378933 /nfs/dbraw/zinc/37/89/33/813378933.db2.gz PBWIOJIHELSYKH-QGZVFWFLSA-N 2 1 295.430 3.309 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639957 813383530 /nfs/dbraw/zinc/38/35/30/813383530.db2.gz HHHKOZOHCMZTFF-HNNXBMFYSA-N 2 1 260.425 3.118 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)C1(C)C ZINC001206760731 813425843 /nfs/dbraw/zinc/42/58/43/813425843.db2.gz KURIEGGGKLXBKW-BZUAXINKSA-N 2 1 264.457 3.428 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770571 813431875 /nfs/dbraw/zinc/43/18/75/813431875.db2.gz SRZYTALFWTVNLR-LSDHHAIUSA-N 2 1 276.424 3.033 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206806554 813440972 /nfs/dbraw/zinc/44/09/72/813440972.db2.gz GOAYUNBZLMFEEK-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206805172 813442277 /nfs/dbraw/zinc/44/22/77/813442277.db2.gz APXKOZRUSAYGMU-AAEUAGOBSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001206812549 813445303 /nfs/dbraw/zinc/44/53/03/813445303.db2.gz ZNAHYFDNJOVBSA-JSGCOSHPSA-N 2 1 276.399 3.262 20 0 CGADMP CNc1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001207058238 813477068 /nfs/dbraw/zinc/47/70/68/813477068.db2.gz NEVSBEQUYUIWCM-UHFFFAOYSA-N 2 1 287.451 3.179 20 0 CGADMP Cc1ncccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001207154617 813499359 /nfs/dbraw/zinc/49/93/59/813499359.db2.gz XWMNZKNBMJOFBI-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ncccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001207154617 813499363 /nfs/dbraw/zinc/49/93/63/813499363.db2.gz XWMNZKNBMJOFBI-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ncccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001207154617 813499365 /nfs/dbraw/zinc/49/93/65/813499365.db2.gz XWMNZKNBMJOFBI-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CCN3CCC2CC3)cc1 ZINC001207191958 813511975 /nfs/dbraw/zinc/51/19/75/813511975.db2.gz NXYWSIYDNBSPFV-PBHICJAKSA-N 2 1 290.838 3.224 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2CN2CC[NH+]3CCC2CC3)cc1 ZINC001207191958 813511977 /nfs/dbraw/zinc/51/19/77/813511977.db2.gz NXYWSIYDNBSPFV-PBHICJAKSA-N 2 1 290.838 3.224 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001207285914 813535883 /nfs/dbraw/zinc/53/58/83/813535883.db2.gz QJBNNPPTENQIAJ-INIZCTEOSA-N 2 1 292.492 3.364 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001207285914 813535890 /nfs/dbraw/zinc/53/58/90/813535890.db2.gz QJBNNPPTENQIAJ-INIZCTEOSA-N 2 1 292.492 3.364 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001207285221 813536219 /nfs/dbraw/zinc/53/62/19/813536219.db2.gz DIGKVFXPGNPBJN-KRWDZBQOSA-N 2 1 274.452 3.139 20 0 CGADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207437160 813565143 /nfs/dbraw/zinc/56/51/43/813565143.db2.gz BNMIOFGSALVIGX-KRWDZBQOSA-N 2 1 276.399 3.352 20 0 CGADMP c1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CCCCC2)nc1 ZINC001207438645 813566069 /nfs/dbraw/zinc/56/60/69/813566069.db2.gz CRQRTUMCENIHCT-UHFFFAOYSA-N 2 1 287.451 3.216 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207597855 813606616 /nfs/dbraw/zinc/60/66/16/813606616.db2.gz STRWRTNNBCLPRE-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207597855 813606623 /nfs/dbraw/zinc/60/66/23/813606623.db2.gz STRWRTNNBCLPRE-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207597855 813606627 /nfs/dbraw/zinc/60/66/27/813606627.db2.gz STRWRTNNBCLPRE-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207604551 813607986 /nfs/dbraw/zinc/60/79/86/813607986.db2.gz SJWSGGFSOAHFNI-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207604551 813607992 /nfs/dbraw/zinc/60/79/92/813607992.db2.gz SJWSGGFSOAHFNI-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP c1ccc(CCCC[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001207614882 813615497 /nfs/dbraw/zinc/61/54/97/813615497.db2.gz IKZYACWDYNQVQA-UHFFFAOYSA-N 2 1 272.436 3.179 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001207835347 813656554 /nfs/dbraw/zinc/65/65/54/813656554.db2.gz BEVATHDADMYHBI-SFOJROILSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC001207838319 813658221 /nfs/dbraw/zinc/65/82/21/813658221.db2.gz HGNCCPMVXNWYTI-UHFFFAOYSA-N 2 1 272.436 3.134 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC001207838319 813658228 /nfs/dbraw/zinc/65/82/28/813658228.db2.gz HGNCCPMVXNWYTI-UHFFFAOYSA-N 2 1 272.436 3.134 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001207837385 813658622 /nfs/dbraw/zinc/65/86/22/813658622.db2.gz PLSBYZWGOMDHNU-BSWAZPDLSA-N 2 1 264.457 3.275 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CC[C@H](C)SC)CC1 ZINC001208151791 813710907 /nfs/dbraw/zinc/71/09/07/813710907.db2.gz YIDCWCWBYQXLFR-AWEZNQCLSA-N 2 1 272.502 3.324 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)CC1(C)CC[NH+](C)CC1 ZINC001208111339 813693994 /nfs/dbraw/zinc/69/39/94/813693994.db2.gz KKRQCUDDUPHSPI-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107232 813694490 /nfs/dbraw/zinc/69/44/90/813694490.db2.gz QGKVGTWFQQIJTM-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001208116223 813696666 /nfs/dbraw/zinc/69/66/66/813696666.db2.gz RQMHNRSMHPMYTP-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC001208592271 813769109 /nfs/dbraw/zinc/76/91/09/813769109.db2.gz GKNRGKPALXDZPC-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606948 813773219 /nfs/dbraw/zinc/77/32/19/813773219.db2.gz JNLAGBAQLQUTEA-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606948 813773225 /nfs/dbraw/zinc/77/32/25/813773225.db2.gz JNLAGBAQLQUTEA-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606948 813773230 /nfs/dbraw/zinc/77/32/30/813773230.db2.gz JNLAGBAQLQUTEA-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606948 813773237 /nfs/dbraw/zinc/77/32/37/813773237.db2.gz JNLAGBAQLQUTEA-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606947 813774024 /nfs/dbraw/zinc/77/40/24/813774024.db2.gz JNLAGBAQLQUTEA-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606947 813774026 /nfs/dbraw/zinc/77/40/26/813774026.db2.gz JNLAGBAQLQUTEA-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606947 813774029 /nfs/dbraw/zinc/77/40/29/813774029.db2.gz JNLAGBAQLQUTEA-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606947 813774033 /nfs/dbraw/zinc/77/40/33/813774033.db2.gz JNLAGBAQLQUTEA-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001208617432 813777422 /nfs/dbraw/zinc/77/74/22/813777422.db2.gz PGCRPXMXYZAXBV-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001208617432 813777413 /nfs/dbraw/zinc/77/74/13/813777413.db2.gz PGCRPXMXYZAXBV-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001208617432 813777415 /nfs/dbraw/zinc/77/74/15/813777415.db2.gz PGCRPXMXYZAXBV-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001208617432 813777419 /nfs/dbraw/zinc/77/74/19/813777419.db2.gz PGCRPXMXYZAXBV-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659856 813783816 /nfs/dbraw/zinc/78/38/16/813783816.db2.gz LIGKKPJMEUZNFG-YESZJQIVSA-N 2 1 296.499 3.101 20 0 CGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659856 813783817 /nfs/dbraw/zinc/78/38/17/813783817.db2.gz LIGKKPJMEUZNFG-YESZJQIVSA-N 2 1 296.499 3.101 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659856 813783822 /nfs/dbraw/zinc/78/38/22/813783822.db2.gz LIGKKPJMEUZNFG-YESZJQIVSA-N 2 1 296.499 3.101 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659856 813783826 /nfs/dbraw/zinc/78/38/26/813783826.db2.gz LIGKKPJMEUZNFG-YESZJQIVSA-N 2 1 296.499 3.101 20 0 CGADMP CC(C)C[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929084 813903042 /nfs/dbraw/zinc/90/30/42/813903042.db2.gz NIGXVPZGIDQNFL-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929084 813903047 /nfs/dbraw/zinc/90/30/47/813903047.db2.gz NIGXVPZGIDQNFL-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929084 813903053 /nfs/dbraw/zinc/90/30/53/813903053.db2.gz NIGXVPZGIDQNFL-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208930446 813904877 /nfs/dbraw/zinc/90/48/77/813904877.db2.gz BFUYLTNNLSKQPY-FUHWJXTLSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208930446 813904879 /nfs/dbraw/zinc/90/48/79/813904879.db2.gz BFUYLTNNLSKQPY-FUHWJXTLSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208930446 813904881 /nfs/dbraw/zinc/90/48/81/813904881.db2.gz BFUYLTNNLSKQPY-FUHWJXTLSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208946292 813907465 /nfs/dbraw/zinc/90/74/65/813907465.db2.gz GDNYCRBHEYVWJA-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208946292 813907469 /nfs/dbraw/zinc/90/74/69/813907469.db2.gz GDNYCRBHEYVWJA-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208946292 813907472 /nfs/dbraw/zinc/90/74/72/813907472.db2.gz GDNYCRBHEYVWJA-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP Cc1ccc(CC[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC001209450969 814048355 /nfs/dbraw/zinc/04/83/55/814048355.db2.gz PMEFZOHULZEPJC-UHFFFAOYSA-N 2 1 274.452 3.345 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3c2cccc3C)CC1 ZINC001209491427 814059129 /nfs/dbraw/zinc/05/91/29/814059129.db2.gz VAPSPHWQGOINCV-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3c2cccc3C)CC1 ZINC001209491427 814059138 /nfs/dbraw/zinc/05/91/38/814059138.db2.gz VAPSPHWQGOINCV-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2Cc2c[nH+]ccc2N)c1 ZINC001209733376 814124405 /nfs/dbraw/zinc/12/44/05/814124405.db2.gz VAZYMLQUSPTPPH-SFHVURJKSA-N 2 1 281.403 3.448 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2c[nH+]ccc2N)c1 ZINC001209733376 814124412 /nfs/dbraw/zinc/12/44/12/814124412.db2.gz VAZYMLQUSPTPPH-SFHVURJKSA-N 2 1 281.403 3.448 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476681 814479257 /nfs/dbraw/zinc/47/92/57/814479257.db2.gz XMAFDLDKLUWNLA-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP c1ccc(C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCCCC2)cc1 ZINC001210582017 814541291 /nfs/dbraw/zinc/54/12/91/814541291.db2.gz WGNWAHQJZRDNPW-BWTSREIZSA-N 2 1 284.447 3.287 20 0 CGADMP Clc1cccc(CCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222140945 816357694 /nfs/dbraw/zinc/35/76/94/816357694.db2.gz AHRWLCDPGSUSNT-KRWDZBQOSA-N 2 1 292.854 3.348 20 0 CGADMP Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001222141688 816358440 /nfs/dbraw/zinc/35/84/40/816358440.db2.gz QSDVOTXDPFAXGF-IBGZPJMESA-N 2 1 296.414 3.121 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc21 ZINC001222148673 816360351 /nfs/dbraw/zinc/36/03/51/816360351.db2.gz PQDZWHVCKSUNQC-IBGZPJMESA-N 2 1 297.446 3.237 20 0 CGADMP C(C1CCC1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154110 816360897 /nfs/dbraw/zinc/36/08/97/816360897.db2.gz FONAOEQOPOTKCU-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001222237709 816383241 /nfs/dbraw/zinc/38/32/41/816383241.db2.gz QQCAXROABROMOD-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001222237709 816383248 /nfs/dbraw/zinc/38/32/48/816383248.db2.gz QQCAXROABROMOD-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1C ZINC001222247448 816386725 /nfs/dbraw/zinc/38/67/25/816386725.db2.gz FSLPMEYMPQRKJE-GOSISDBHSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1C ZINC001222247448 816386733 /nfs/dbraw/zinc/38/67/33/816386733.db2.gz FSLPMEYMPQRKJE-GOSISDBHSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222265357 816391404 /nfs/dbraw/zinc/39/14/04/816391404.db2.gz RXJRRDBGEHSKPS-LJQANCHMSA-N 2 1 297.446 3.442 20 0 CGADMP C(C[NH+]1CCC2(CCCC[NH2+]2)CC1)C1CCCC1 ZINC001222287696 816397402 /nfs/dbraw/zinc/39/74/02/816397402.db2.gz PQRUFWHVNOFOHL-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308683 816403396 /nfs/dbraw/zinc/40/33/96/816403396.db2.gz LFTZTXTZRNVMLP-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C(C[N@H+]1CCC[C@@]12CCC[NH2+]CC2)C1CCCC1 ZINC001222308366 816403773 /nfs/dbraw/zinc/40/37/73/816403773.db2.gz JDYAPUJELQIKFL-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314243 816406021 /nfs/dbraw/zinc/40/60/21/816406021.db2.gz DHFIVEVNDBYMSM-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc2ccccc21 ZINC001222314522 816406185 /nfs/dbraw/zinc/40/61/85/816406185.db2.gz HBOUKSZBKJHGCV-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222345249 816414337 /nfs/dbraw/zinc/41/43/37/816414337.db2.gz JXPIYGORNVZBJY-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222345249 816414340 /nfs/dbraw/zinc/41/43/40/816414340.db2.gz JXPIYGORNVZBJY-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP Cn1ccc2c1cccc2C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390118 816429065 /nfs/dbraw/zinc/42/90/65/816429065.db2.gz LBXAWRGNBWPVHK-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390118 816429071 /nfs/dbraw/zinc/42/90/71/816429071.db2.gz LBXAWRGNBWPVHK-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCCC3(CCCC3)C1)C[NH2+]CC2 ZINC001222400738 816433328 /nfs/dbraw/zinc/43/33/28/816433328.db2.gz GIKWGKTXQXFULW-UHFFFAOYSA-N 2 1 284.447 3.489 20 0 CGADMP Fc1cc(F)c(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c(F)c1 ZINC001222452658 816448243 /nfs/dbraw/zinc/44/82/43/816448243.db2.gz JDNFLFBLRUIDQK-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595671 816474795 /nfs/dbraw/zinc/47/47/95/816474795.db2.gz GLFWTSLJHPPGOK-IBGZPJMESA-N 2 1 292.426 3.184 20 0 CGADMP CC(C)[N@H+]1CC[C@H](O[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224135349 816739476 /nfs/dbraw/zinc/73/94/76/816739476.db2.gz VHAHXNZKKKOIEA-ROUUACIJSA-N 2 1 290.451 3.179 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC12CCCCC2 ZINC001232012625 818232391 /nfs/dbraw/zinc/23/23/91/818232391.db2.gz LJVQXICYAILVPW-UHFFFAOYSA-N 2 1 255.365 3.472 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994820 818972632 /nfs/dbraw/zinc/97/26/32/818972632.db2.gz SWKRYPIZDJGBRT-WMZOPIPTSA-N 2 1 296.499 3.029 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994936 818972796 /nfs/dbraw/zinc/97/27/96/818972796.db2.gz UOFFAYACFSQUKH-QGZVFWFLSA-N 2 1 264.457 3.422 20 0 CGADMP CC1(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCCC1 ZINC001234995797 818973015 /nfs/dbraw/zinc/97/30/15/818973015.db2.gz ZSFXXPPVNJKMAA-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001235007927 818979332 /nfs/dbraw/zinc/97/93/32/818979332.db2.gz SLNRRTQGDDFRGJ-SIXWZSSISA-N 2 1 280.415 3.237 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001235007927 818979337 /nfs/dbraw/zinc/97/93/37/818979337.db2.gz SLNRRTQGDDFRGJ-SIXWZSSISA-N 2 1 280.415 3.237 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016723 818980406 /nfs/dbraw/zinc/98/04/06/818980406.db2.gz HNYHCDXGSUAYMJ-ZBHMHGNTSA-N 2 1 288.479 3.277 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016723 818980411 /nfs/dbraw/zinc/98/04/11/818980411.db2.gz HNYHCDXGSUAYMJ-ZBHMHGNTSA-N 2 1 288.479 3.277 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c[nH]c21 ZINC001235092991 818998990 /nfs/dbraw/zinc/99/89/90/818998990.db2.gz NBPOJUPYBNYFQW-UHFFFAOYSA-N 2 1 297.446 3.306 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@]23CC[NH2+]C3)C1(C)C ZINC001235111735 819006836 /nfs/dbraw/zinc/00/68/36/819006836.db2.gz SWMSWLMYUKIVTQ-RDJZCZTQSA-N 2 1 262.441 3.197 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CCCC23CC[NH2+]CC3)CC1 ZINC001235140798 819016031 /nfs/dbraw/zinc/01/60/31/819016031.db2.gz NWKMUBQJWATQHV-HZPDHXFCSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1ccccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151332 819016583 /nfs/dbraw/zinc/01/65/83/819016583.db2.gz GILMOGIAOMNBEM-SFHVURJKSA-N 2 1 272.436 3.349 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)oc1C ZINC001235156713 819019235 /nfs/dbraw/zinc/01/92/35/819019235.db2.gz RILNOAPZIZOZDZ-QGZVFWFLSA-N 2 1 276.424 3.251 20 0 CGADMP CCc1cccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235189638 819029321 /nfs/dbraw/zinc/02/93/21/819029321.db2.gz OUCRORGFWZJVMC-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1(C)C ZINC001235240011 819044486 /nfs/dbraw/zinc/04/44/86/819044486.db2.gz ISNKQWFNGUPSBD-ZMSDIMECSA-N 2 1 262.441 3.182 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235263236 819057103 /nfs/dbraw/zinc/05/71/03/819057103.db2.gz SYVJUCPBJBTTAZ-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC1 ZINC001235283442 819060724 /nfs/dbraw/zinc/06/07/24/819060724.db2.gz OLUIYJKCVDHIDJ-ZJPYXAASSA-N 2 1 274.452 3.348 20 0 CGADMP c1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)co1 ZINC001235368324 819079220 /nfs/dbraw/zinc/07/92/20/819079220.db2.gz VOOXAHRUMBAIAR-OALUTQOASA-N 2 1 296.414 3.033 20 0 CGADMP c1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)co1 ZINC001235368324 819079228 /nfs/dbraw/zinc/07/92/28/819079228.db2.gz VOOXAHRUMBAIAR-OALUTQOASA-N 2 1 296.414 3.033 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC001235431233 819094203 /nfs/dbraw/zinc/09/42/03/819094203.db2.gz MUUMOXUEMMWWKD-HZPDHXFCSA-N 2 1 278.465 3.268 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235427356 819094312 /nfs/dbraw/zinc/09/43/12/819094312.db2.gz QZZFZVKGMQJGBM-HUUCEWRRSA-N 2 1 276.424 3.054 20 0 CGADMP Cc1sccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428974 819094408 /nfs/dbraw/zinc/09/44/08/819094408.db2.gz SCAIJKMXODWACE-ZBFHGGJFSA-N 2 1 278.465 3.268 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235433338 819095777 /nfs/dbraw/zinc/09/57/77/819095777.db2.gz TWBLOKINSNTURE-UHFFFAOYSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1cc(F)cc(C[N@@H+](C)CC2CC[NH2+]CC2)c1Cl ZINC001235433357 819095888 /nfs/dbraw/zinc/09/58/88/819095888.db2.gz URCZKQQFGMWKGB-UHFFFAOYSA-N 2 1 284.806 3.219 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc(OCC2CCCCC2)c1 ZINC001235435181 819097707 /nfs/dbraw/zinc/09/77/07/819097707.db2.gz BYHDZFXMPFMOSU-UHFFFAOYSA-N 2 1 290.451 3.426 20 0 CGADMP CC1=CC[C@@H](CC[N@H+](C)C2CC[NH2+]CC2)C1(C)C ZINC001235475422 819107783 /nfs/dbraw/zinc/10/77/83/819107783.db2.gz XSFHMECXRPNZIK-AWEZNQCLSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1ccccc1C[N@@H+](C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235663560 819132312 /nfs/dbraw/zinc/13/23/12/819132312.db2.gz VXMHGIQTQQHRAH-UHFFFAOYSA-N 2 1 286.444 3.334 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c2ccccc12 ZINC001235672839 819133352 /nfs/dbraw/zinc/13/33/52/819133352.db2.gz HYUWKAUJTUOVAC-OAHLLOKOSA-N 2 1 268.404 3.319 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001235673193 819133773 /nfs/dbraw/zinc/13/37/73/819133773.db2.gz CWGYNCJXORRFLA-RTBURBONSA-N 2 1 280.415 3.394 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001235673193 819133776 /nfs/dbraw/zinc/13/37/76/819133776.db2.gz CWGYNCJXORRFLA-RTBURBONSA-N 2 1 280.415 3.394 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235674292 819135800 /nfs/dbraw/zinc/13/58/00/819135800.db2.gz REDIOLJZXBLNCP-CVEARBPZSA-N 2 1 252.446 3.430 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235677326 819136625 /nfs/dbraw/zinc/13/66/25/819136625.db2.gz ZNYPCQVLFICWLK-OAHLLOKOSA-N 2 1 268.404 3.319 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H]1C ZINC001235694795 819143434 /nfs/dbraw/zinc/14/34/34/819143434.db2.gz KKPDBASONBFQKE-HUUCEWRRSA-N 2 1 297.446 3.365 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713266 819148903 /nfs/dbraw/zinc/14/89/03/819148903.db2.gz VUELFUAIEFYEFE-GXTWGEPZSA-N 2 1 286.341 3.232 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713266 819148906 /nfs/dbraw/zinc/14/89/06/819148906.db2.gz VUELFUAIEFYEFE-GXTWGEPZSA-N 2 1 286.341 3.232 20 0 CGADMP Clc1ccc2c(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c[nH]c2c1 ZINC001235711991 819149045 /nfs/dbraw/zinc/14/90/45/819149045.db2.gz XJHSUKZRQOEBHS-UHFFFAOYSA-N 2 1 289.810 3.007 20 0 CGADMP Clc1ccc2c(C[N@H+]3CCCC4(C[NH2+]C4)C3)c[nH]c2c1 ZINC001235711991 819149047 /nfs/dbraw/zinc/14/90/47/819149047.db2.gz XJHSUKZRQOEBHS-UHFFFAOYSA-N 2 1 289.810 3.007 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1-n1cccc1 ZINC001235717822 819151626 /nfs/dbraw/zinc/15/16/26/819151626.db2.gz NHXQHNWSUKAMIC-UHFFFAOYSA-N 2 1 297.446 3.299 20 0 CGADMP CC[N@@H+](Cc1ccc(CC(C)C)cc1)C1CC[NH2+]CC1 ZINC001235762428 819164117 /nfs/dbraw/zinc/16/41/17/819164117.db2.gz UFWYQQSMOKVNPS-UHFFFAOYSA-N 2 1 274.452 3.459 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)CC1(C)CC[NH2+]CC1 ZINC001235839946 819181742 /nfs/dbraw/zinc/18/17/42/819181742.db2.gz DDUAQXXETGVDFA-UHFFFAOYSA-N 2 1 280.843 3.204 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841403 819183701 /nfs/dbraw/zinc/18/37/01/819183701.db2.gz FIJZAZJSZYUHEK-HOTGVXAUSA-N 2 1 252.446 3.300 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2cccccc1-2 ZINC001235890382 819198938 /nfs/dbraw/zinc/19/89/38/819198938.db2.gz DXPYGZTYTJPBHW-CZUORRHYSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2cccccc1-2 ZINC001235890382 819198942 /nfs/dbraw/zinc/19/89/42/819198942.db2.gz DXPYGZTYTJPBHW-CZUORRHYSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001235892225 819201745 /nfs/dbraw/zinc/20/17/45/819201745.db2.gz MZHHZKCXDSFHAM-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001235892225 819201754 /nfs/dbraw/zinc/20/17/54/819201754.db2.gz MZHHZKCXDSFHAM-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])s1 ZINC001235925239 819225177 /nfs/dbraw/zinc/22/51/77/819225177.db2.gz MGEJZCCYMYHVOG-ZDUSSCGKSA-N 2 1 266.454 3.404 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001235935329 819230172 /nfs/dbraw/zinc/23/01/72/819230172.db2.gz SZZDPDFEYTUWKU-RDJZCZTQSA-N 2 1 276.399 3.147 20 0 CGADMP Fc1cccc2c(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cccc12 ZINC001235938615 819231909 /nfs/dbraw/zinc/23/19/09/819231909.db2.gz LOHLDMRDCINLPD-HIFRSBDPSA-N 2 1 284.378 3.020 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235936307 819232057 /nfs/dbraw/zinc/23/20/57/819232057.db2.gz JPJQEECAODNLLY-AAEUAGOBSA-N 2 1 296.867 3.103 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235936307 819232060 /nfs/dbraw/zinc/23/20/60/819232060.db2.gz JPJQEECAODNLLY-AAEUAGOBSA-N 2 1 296.867 3.103 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001235949357 819240220 /nfs/dbraw/zinc/24/02/20/819240220.db2.gz GSNFKELTACSZDC-KRWDZBQOSA-N 2 1 284.378 3.274 20 0 CGADMP C[N@@H+](CCCc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235950793 819241255 /nfs/dbraw/zinc/24/12/55/819241255.db2.gz NAGBPHBJWIQNAT-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001235958517 819245486 /nfs/dbraw/zinc/24/54/86/819245486.db2.gz GUEXVKAYRFIRJZ-NHMCJKAESA-N 2 1 290.838 3.113 20 0 CGADMP CC(C)(CC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+])c1ccccc1 ZINC001235958538 819245761 /nfs/dbraw/zinc/24/57/61/819245761.db2.gz HTXNUSVHXLYZIS-SCAQPMJSSA-N 2 1 272.436 3.023 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCC1CCCCC1)C2 ZINC001235958237 819246315 /nfs/dbraw/zinc/24/63/15/819246315.db2.gz AYGSPSDUKRUINK-MUJYYYPQSA-N 2 1 250.430 3.016 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958896 819247811 /nfs/dbraw/zinc/24/78/11/819247811.db2.gz LQFXOWZIZKHYDK-FVCICTRLSA-N 2 1 286.444 3.379 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235981662 819257827 /nfs/dbraw/zinc/25/78/27/819257827.db2.gz XDNLBMSVAANFFI-AYOQOUSVSA-N 2 1 286.463 3.412 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235981661 819258319 /nfs/dbraw/zinc/25/83/19/819258319.db2.gz XDNLBMSVAANFFI-ATZDWAIDSA-N 2 1 286.463 3.412 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236008720 819271923 /nfs/dbraw/zinc/27/19/23/819271923.db2.gz MFOSQYIFVUHDQA-IRXDYDNUSA-N 2 1 290.426 3.080 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001236059699 819292083 /nfs/dbraw/zinc/29/20/83/819292083.db2.gz JZQKFLBWKRATTQ-QGZVFWFLSA-N 2 1 272.436 3.386 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)cc(OC(C)C)cc2C)C1 ZINC001236066953 819298541 /nfs/dbraw/zinc/29/85/41/819298541.db2.gz KZSVPQPAWKUSAO-INIZCTEOSA-N 2 1 290.451 3.132 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095231 819313713 /nfs/dbraw/zinc/31/37/13/819313713.db2.gz PAZISXOFLWGLAG-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095231 819313718 /nfs/dbraw/zinc/31/37/18/819313718.db2.gz PAZISXOFLWGLAG-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP CC[N@H+](CC[NH3+])Cc1ccccc1-c1ccccc1 ZINC001236143105 819343423 /nfs/dbraw/zinc/34/34/23/819343423.db2.gz GGUOMNOHESKDIW-UHFFFAOYSA-N 2 1 254.377 3.134 20 0 CGADMP CC[N@@H+](CC[NH3+])Cc1ccccc1-c1ccccc1 ZINC001236143105 819343430 /nfs/dbraw/zinc/34/34/30/819343430.db2.gz GGUOMNOHESKDIW-UHFFFAOYSA-N 2 1 254.377 3.134 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)cccc2n1 ZINC001236210086 819371495 /nfs/dbraw/zinc/37/14/95/819371495.db2.gz ROJRQIWURHEUFJ-SFHVURJKSA-N 2 1 283.419 3.117 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)cccc2n1 ZINC001236210086 819371497 /nfs/dbraw/zinc/37/14/97/819371497.db2.gz ROJRQIWURHEUFJ-SFHVURJKSA-N 2 1 283.419 3.117 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212383 819374045 /nfs/dbraw/zinc/37/40/45/819374045.db2.gz KPVSTWKVDBAKBY-GOEBONIOSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212383 819374050 /nfs/dbraw/zinc/37/40/50/819374050.db2.gz KPVSTWKVDBAKBY-GOEBONIOSA-N 2 1 275.371 3.009 20 0 CGADMP CCc1cccc2c(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])c[nH]c21 ZINC001236213706 819375274 /nfs/dbraw/zinc/37/52/74/819375274.db2.gz BCYYJYBFTDIXQA-SJORKVTESA-N 2 1 285.435 3.432 20 0 CGADMP CCc1cccc2c(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])c[nH]c21 ZINC001236213706 819375278 /nfs/dbraw/zinc/37/52/78/819375278.db2.gz BCYYJYBFTDIXQA-SJORKVTESA-N 2 1 285.435 3.432 20 0 CGADMP C[N@H+](Cc1coc2ccc(F)cc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215211 819378678 /nfs/dbraw/zinc/37/86/78/819378678.db2.gz FWSFLGAESKLEQO-HUUCEWRRSA-N 2 1 276.355 3.274 20 0 CGADMP C[N@@H+](Cc1coc2ccc(F)cc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215211 819378681 /nfs/dbraw/zinc/37/86/81/819378681.db2.gz FWSFLGAESKLEQO-HUUCEWRRSA-N 2 1 276.355 3.274 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC001236216863 819381657 /nfs/dbraw/zinc/38/16/57/819381657.db2.gz LMCLKAYXMGXOJL-DLBZAZTESA-N 2 1 276.424 3.014 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC001236216863 819381661 /nfs/dbraw/zinc/38/16/61/819381661.db2.gz LMCLKAYXMGXOJL-DLBZAZTESA-N 2 1 276.424 3.014 20 0 CGADMP C[N@@H+](Cc1cccc2sccc21)C1(C)CC[NH2+]CC1 ZINC001236226993 819390591 /nfs/dbraw/zinc/39/05/91/819390591.db2.gz WHNONVOAQGYEJS-UHFFFAOYSA-N 2 1 274.433 3.475 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2(C)CC[NH2+]CC2)cc1C ZINC001236226084 819391274 /nfs/dbraw/zinc/39/12/74/819391274.db2.gz HMQOAICMSQZCLR-UHFFFAOYSA-N 2 1 260.425 3.186 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314143 819421113 /nfs/dbraw/zinc/42/11/13/819421113.db2.gz HLZBTQBVLBCIQO-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236321995 819424458 /nfs/dbraw/zinc/42/44/58/819424458.db2.gz ZLEHSSBRMNJEOP-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP CCOC(C)(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373495 819442898 /nfs/dbraw/zinc/44/28/98/819442898.db2.gz XSCNAISHHPILMO-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409412 819456195 /nfs/dbraw/zinc/45/61/95/819456195.db2.gz UQPIYMJZRBLFRE-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409412 819456198 /nfs/dbraw/zinc/45/61/98/819456198.db2.gz UQPIYMJZRBLFRE-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)CC1(c2ccccc2)CCCC1 ZINC001236409215 819456402 /nfs/dbraw/zinc/45/64/02/819456402.db2.gz ZBROZQPPMHVHTO-QGZVFWFLSA-N 2 1 286.463 3.430 20 0 CGADMP CC[N@H+](Cc1ccc(C)c(Cl)c1C)C[C@H]1CC[NH2+]C1 ZINC001236409737 819458201 /nfs/dbraw/zinc/45/82/01/819458201.db2.gz DCIZBHPTURMXCD-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[N@H+](Cc1ccc2oc3ccccc3c2c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412668 819459068 /nfs/dbraw/zinc/45/90/68/819459068.db2.gz LGFUYVWMVWHLLT-MNZLEMJZSA-N 2 1 292.382 3.236 20 0 CGADMP C[N@@H+](Cc1ccc2oc3ccccc3c2c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412668 819459073 /nfs/dbraw/zinc/45/90/73/819459073.db2.gz LGFUYVWMVWHLLT-MNZLEMJZSA-N 2 1 292.382 3.236 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]2)c1 ZINC001236429483 819474551 /nfs/dbraw/zinc/47/45/51/819474551.db2.gz ZGFDBLJOVDGJAK-IRXDYDNUSA-N 2 1 258.409 3.192 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]2)c1 ZINC001236429483 819474555 /nfs/dbraw/zinc/47/45/55/819474555.db2.gz ZGFDBLJOVDGJAK-IRXDYDNUSA-N 2 1 258.409 3.192 20 0 CGADMP Cc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236474338 819492782 /nfs/dbraw/zinc/49/27/82/819492782.db2.gz QVXMSNCGWOTJTB-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP Cc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236474338 819492786 /nfs/dbraw/zinc/49/27/86/819492786.db2.gz QVXMSNCGWOTJTB-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP Fc1ccc(C[N@@H+](CCC2CC2)C2CC[NH2+]CC2)cc1F ZINC001236500225 819506119 /nfs/dbraw/zinc/50/61/19/819506119.db2.gz ZEJXGUXEZRPDKL-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP CCCC[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236510257 819507830 /nfs/dbraw/zinc/50/78/30/819507830.db2.gz ZILVQTNDNYJDGD-UHFFFAOYSA-N 2 1 278.415 3.488 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@](C)(C[NH3+])C2)C1(C)C ZINC001236605859 819550058 /nfs/dbraw/zinc/55/00/58/819550058.db2.gz WBPDUBKWKGEKMY-GDBMZVCRSA-N 2 1 250.430 3.040 20 0 CGADMP CCC[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236835345 819614626 /nfs/dbraw/zinc/61/46/26/819614626.db2.gz LSSUSHQSRJAJTO-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[N@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236835345 819614628 /nfs/dbraw/zinc/61/46/28/819614628.db2.gz LSSUSHQSRJAJTO-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[N@@H+](Cc1c(C)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836450 819614656 /nfs/dbraw/zinc/61/46/56/819614656.db2.gz VHNABWQFYPBZHA-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1c(C)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836450 819614659 /nfs/dbraw/zinc/61/46/59/819614659.db2.gz VHNABWQFYPBZHA-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236836531 819616557 /nfs/dbraw/zinc/61/65/57/819616557.db2.gz WVNWZGLMXXOVJW-ZDUSSCGKSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236836567 819617381 /nfs/dbraw/zinc/61/73/81/819617381.db2.gz XKZSUPLNIAHFDF-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236836567 819617386 /nfs/dbraw/zinc/61/73/86/819617386.db2.gz XKZSUPLNIAHFDF-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(OCC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843282 819618327 /nfs/dbraw/zinc/61/83/27/819618327.db2.gz MTMAXEFPCJCAFR-QGZVFWFLSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001237055250 819655245 /nfs/dbraw/zinc/65/52/45/819655245.db2.gz BVHLDUKJIIGVKD-INIZCTEOSA-N 2 1 280.843 3.333 20 0 CGADMP Fc1cc(F)cc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC001237057541 819656613 /nfs/dbraw/zinc/65/66/13/819656613.db2.gz LCKWLVWEUPMXEX-QGZVFWFLSA-N 2 1 294.389 3.491 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237080608 819662669 /nfs/dbraw/zinc/66/26/69/819662669.db2.gz HCHYZQLVGNIMHG-QGZVFWFLSA-N 2 1 260.425 3.371 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237079828 819662675 /nfs/dbraw/zinc/66/26/75/819662675.db2.gz BYDDMLFPPWYEHM-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237079828 819662676 /nfs/dbraw/zinc/66/26/76/819662676.db2.gz BYDDMLFPPWYEHM-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237083228 819664184 /nfs/dbraw/zinc/66/41/84/819664184.db2.gz XSMMJAXEKPYETK-MRXNPFEDSA-N 2 1 278.465 3.278 20 0 CGADMP CCc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237144684 819678149 /nfs/dbraw/zinc/67/81/49/819678149.db2.gz KYKHWADVAJSOSD-GOSISDBHSA-N 2 1 272.436 3.356 20 0 CGADMP CCc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237144684 819678153 /nfs/dbraw/zinc/67/81/53/819678153.db2.gz KYKHWADVAJSOSD-GOSISDBHSA-N 2 1 272.436 3.356 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001237189657 819692937 /nfs/dbraw/zinc/69/29/37/819692937.db2.gz YAOFWFFQXKIJGC-MQMHXKEQSA-N 2 1 278.465 3.404 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001237190082 819693309 /nfs/dbraw/zinc/69/33/09/819693309.db2.gz ZCSVOZIFOYGQQG-WJYNOGRTSA-N 2 1 258.409 3.300 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccc3cccccc2-3)CC1 ZINC001237187384 819693336 /nfs/dbraw/zinc/69/33/36/819693336.db2.gz OHJIAKBGFAXHMI-UHFFFAOYSA-N 2 1 268.404 3.317 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001237330339 819729638 /nfs/dbraw/zinc/72/96/38/819729638.db2.gz PONFYVPZFDTCHJ-UHFFFAOYSA-N 2 1 286.463 3.475 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(C)c1F ZINC001237401686 819743456 /nfs/dbraw/zinc/74/34/56/819743456.db2.gz FHFVCZZVPBGHRF-HOTGVXAUSA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(C)c1F ZINC001237401686 819743462 /nfs/dbraw/zinc/74/34/62/819743462.db2.gz FHFVCZZVPBGHRF-HOTGVXAUSA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C)c1OC(C)C ZINC001238754962 820107483 /nfs/dbraw/zinc/10/74/83/820107483.db2.gz LODSCAMQQPQPCB-UHFFFAOYSA-N 2 1 292.467 3.474 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C)c1OC(C)C ZINC001238754962 820107485 /nfs/dbraw/zinc/10/74/85/820107485.db2.gz LODSCAMQQPQPCB-UHFFFAOYSA-N 2 1 292.467 3.474 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(c1)[C@H]([NH3+])CC2 ZINC001241252278 821673737 /nfs/dbraw/zinc/67/37/37/821673737.db2.gz RDZOQOKFBGGAGK-MRXNPFEDSA-N 2 1 267.376 3.069 20 0 CGADMP CC[N@@H+]1CC=C(c2cnc(C3=CCC[NH+](C)C3)c(C)c2)CC1 ZINC001241567366 821952839 /nfs/dbraw/zinc/95/28/39/821952839.db2.gz YKGDCQHRRIJBJN-UHFFFAOYSA-N 2 1 297.446 3.218 20 0 CGADMP CC[NH+]1CC=C(c2cnc(C3=CCC[N@H+](C)C3)c(C)c2)CC1 ZINC001241567366 821952846 /nfs/dbraw/zinc/95/28/46/821952846.db2.gz YKGDCQHRRIJBJN-UHFFFAOYSA-N 2 1 297.446 3.218 20 0 CGADMP CC[NH+]1CC=C(c2cnc(C3=CCC[N@@H+](C)C3)c(C)c2)CC1 ZINC001241567366 821952853 /nfs/dbraw/zinc/95/28/53/821952853.db2.gz YKGDCQHRRIJBJN-UHFFFAOYSA-N 2 1 297.446 3.218 20 0 CGADMP c1cc2c[nH+]cc(-c3cccc(C[NH+]4CCOCC4)c3)c2[nH]1 ZINC001241818165 822159654 /nfs/dbraw/zinc/15/96/54/822159654.db2.gz WOOPQHHXPDBCNN-UHFFFAOYSA-N 2 1 293.370 3.062 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001340513126 936407295 /nfs/dbraw/zinc/40/72/95/936407295.db2.gz FQSNPYNNAKUYPV-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccnc1 ZINC001342390039 936466482 /nfs/dbraw/zinc/46/64/82/936466482.db2.gz OEYYHPSPNVYPSC-DOTOQJQBSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1ccc(F)cc1F ZINC001343352650 936496281 /nfs/dbraw/zinc/49/62/81/936496281.db2.gz CBBNYRKHCXGGQF-UHFFFAOYSA-N 2 1 284.394 3.171 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC001344581221 936539523 /nfs/dbraw/zinc/53/95/23/936539523.db2.gz SMUNYKYAIZHWPE-XVGQJIODSA-N 2 1 297.446 3.098 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC001344581217 936539354 /nfs/dbraw/zinc/53/93/54/936539354.db2.gz SMUNYKYAIZHWPE-OMWUSAIZSA-N 2 1 297.446 3.098 20 0 CGADMP CO[C@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C1CCCCC1 ZINC001347145587 936872054 /nfs/dbraw/zinc/87/20/54/936872054.db2.gz MPHRMRODIYBPRC-QGZVFWFLSA-N 2 1 294.483 3.047 20 0 CGADMP Cc1c[nH+]c2ccccc2c1NCCCC[N@H+](C)C1CC1 ZINC001348481284 936923487 /nfs/dbraw/zinc/92/34/87/936923487.db2.gz FIXAQLBGJUDSQY-UHFFFAOYSA-N 2 1 283.419 3.251 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(Br)s1 ZINC001348852749 936936614 /nfs/dbraw/zinc/93/66/14/936936614.db2.gz OMTYPVAUAVUJAT-DTWKUNHWSA-N 2 1 291.258 3.159 20 0 CGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001355240294 937131474 /nfs/dbraw/zinc/13/14/74/937131474.db2.gz ZGBFRKIAXXQZAE-JHJVBQTASA-N 2 1 280.378 3.285 20 0 CGADMP CC[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001307643753 927600092 /nfs/dbraw/zinc/60/00/92/927600092.db2.gz OFKXDQJHYGSFNP-SJORKVTESA-N 2 1 260.425 3.226 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C)c(C)o2)C1 ZINC001116927676 927963272 /nfs/dbraw/zinc/96/32/72/927963272.db2.gz ANQKEHMHLDHXPO-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C)c(C)o2)C1 ZINC001116927676 927963283 /nfs/dbraw/zinc/96/32/83/927963283.db2.gz ANQKEHMHLDHXPO-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H](c2ccccn2)C(C)C)CC1 ZINC000766082360 928047813 /nfs/dbraw/zinc/04/78/13/928047813.db2.gz RKZCQURCJXEANV-SFHVURJKSA-N 2 1 289.467 3.489 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158094125 928257984 /nfs/dbraw/zinc/25/79/84/928257984.db2.gz UMHRRWDEKLLMQD-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@H]2C1 ZINC001308554610 928531015 /nfs/dbraw/zinc/53/10/15/928531015.db2.gz QBYFWOIVAOUASE-JYJNAYRXSA-N 2 1 264.457 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC3CCC2CC3)[C@@H](C)C1 ZINC001459672305 937495647 /nfs/dbraw/zinc/49/56/47/937495647.db2.gz ZUSWHAKYGNROSW-QUFRXWBVSA-N 2 1 278.484 3.475 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCC2(CCC2)O1 ZINC001459580640 937492545 /nfs/dbraw/zinc/49/25/45/937492545.db2.gz NVIXTVDPUMBTOG-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCC2(CCC2)O1 ZINC001459580640 937492547 /nfs/dbraw/zinc/49/25/47/937492547.db2.gz NVIXTVDPUMBTOG-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCC2(CCC2)O1 ZINC001459580640 937492548 /nfs/dbraw/zinc/49/25/48/937492548.db2.gz NVIXTVDPUMBTOG-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCC2(CCC2)O1 ZINC001459580640 937492550 /nfs/dbraw/zinc/49/25/50/937492550.db2.gz NVIXTVDPUMBTOG-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC1=CCCCC1 ZINC001460016096 937511277 /nfs/dbraw/zinc/51/12/77/937511277.db2.gz JYKRDJBNFPZDLJ-UHFFFAOYSA-N 2 1 250.430 3.295 20 0 CGADMP CCCCCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001460581713 937535601 /nfs/dbraw/zinc/53/56/01/937535601.db2.gz UCSNAQLQZIWDJV-KRWDZBQOSA-N 2 1 296.499 3.268 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC001461035378 937560829 /nfs/dbraw/zinc/56/08/29/937560829.db2.gz LESPNGGUIUWOQI-UHFFFAOYSA-N 2 1 289.398 3.194 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC001461035378 937560830 /nfs/dbraw/zinc/56/08/30/937560830.db2.gz LESPNGGUIUWOQI-UHFFFAOYSA-N 2 1 289.398 3.194 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC001461099989 937564304 /nfs/dbraw/zinc/56/43/04/937564304.db2.gz DXDBXOMHJDFGQI-QGZUEGPWSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461142895 937565966 /nfs/dbraw/zinc/56/59/66/937565966.db2.gz HQHBIBYMJGEACX-CRAIPNDOSA-N 2 1 274.452 3.254 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461142895 937565967 /nfs/dbraw/zinc/56/59/67/937565967.db2.gz HQHBIBYMJGEACX-CRAIPNDOSA-N 2 1 274.452 3.254 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC001461149601 937566366 /nfs/dbraw/zinc/56/63/66/937566366.db2.gz ZYBLOLCCNGBUDL-MOPGFXCFSA-N 2 1 286.463 3.396 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C)s3)[C@H]2C1 ZINC001461828071 937599877 /nfs/dbraw/zinc/59/98/77/937599877.db2.gz HYSFUMQXSAGTNR-QEJZJMRPSA-N 2 1 292.492 3.475 20 0 CGADMP C[N@H+](Cc1ccc(C2CC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001461887091 937604073 /nfs/dbraw/zinc/60/40/73/937604073.db2.gz ILRYRDKQTDJNEU-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](Cc1ccc(C2CC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001461887091 937604075 /nfs/dbraw/zinc/60/40/75/937604075.db2.gz ILRYRDKQTDJNEU-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](Cc1ccc(C2CC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001461887091 937604076 /nfs/dbraw/zinc/60/40/76/937604076.db2.gz ILRYRDKQTDJNEU-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC001461929845 937607380 /nfs/dbraw/zinc/60/73/80/937607380.db2.gz ZBVIFSCSMCLVFP-GOSISDBHSA-N 2 1 289.467 3.284 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)CCCC(F)(F)F ZINC001462198916 937624862 /nfs/dbraw/zinc/62/48/62/937624862.db2.gz NPCJSRIYIAFVRF-UHFFFAOYSA-N 2 1 268.367 3.383 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001462289845 937630466 /nfs/dbraw/zinc/63/04/66/937630466.db2.gz BDWJUMYXFJTDFW-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001462289845 937630468 /nfs/dbraw/zinc/63/04/68/937630468.db2.gz BDWJUMYXFJTDFW-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001462302917 937631296 /nfs/dbraw/zinc/63/12/96/937631296.db2.gz GRFQNEXFIZCEQC-CGTJXYLNSA-N 2 1 274.452 3.499 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001462302917 937631298 /nfs/dbraw/zinc/63/12/98/937631298.db2.gz GRFQNEXFIZCEQC-CGTJXYLNSA-N 2 1 274.452 3.499 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CC(C)(C)OC1(C)C ZINC001307497209 932961792 /nfs/dbraw/zinc/96/17/92/932961792.db2.gz DHPMAWVBNYEZLD-HOTGVXAUSA-N 2 1 296.499 3.386 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CC(C)(C)OC1(C)C ZINC001307497209 932961795 /nfs/dbraw/zinc/96/17/95/932961795.db2.gz DHPMAWVBNYEZLD-HOTGVXAUSA-N 2 1 296.499 3.386 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CC(C)(C)OC1(C)C ZINC001307497209 932961797 /nfs/dbraw/zinc/96/17/97/932961797.db2.gz DHPMAWVBNYEZLD-HOTGVXAUSA-N 2 1 296.499 3.386 20 0 CGADMP CN(CCC[N@@H+](C)CC1CCC(C)(C)CC1)CC[NH+](C)C ZINC001307817454 933005321 /nfs/dbraw/zinc/00/53/21/933005321.db2.gz AKBSQPCXOMRMBJ-UHFFFAOYSA-N 2 1 297.531 3.018 20 0 CGADMP Cc1ccccc1CCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307977893 933029098 /nfs/dbraw/zinc/02/90/98/933029098.db2.gz HLJXUCFXKMLUQM-OALUTQOASA-N 2 1 286.463 3.201 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307987357 933030697 /nfs/dbraw/zinc/03/06/97/933030697.db2.gz KIHOGCKAAIUHCU-KYNGSXCRSA-N 2 1 284.447 3.120 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307987357 933030701 /nfs/dbraw/zinc/03/07/01/933030701.db2.gz KIHOGCKAAIUHCU-KYNGSXCRSA-N 2 1 284.447 3.120 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307987357 933030704 /nfs/dbraw/zinc/03/07/04/933030704.db2.gz KIHOGCKAAIUHCU-KYNGSXCRSA-N 2 1 284.447 3.120 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001308091171 933046466 /nfs/dbraw/zinc/04/64/66/933046466.db2.gz YBMHQUXTVYCPLY-IXDOHACOSA-N 2 1 287.451 3.418 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCc2ccccc2CC1 ZINC001308240123 933079274 /nfs/dbraw/zinc/07/92/74/933079274.db2.gz MUYFZOSRANSGDJ-OAHLLOKOSA-N 2 1 274.452 3.254 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCc2ccccc2CC1 ZINC001308240123 933079280 /nfs/dbraw/zinc/07/92/80/933079280.db2.gz MUYFZOSRANSGDJ-OAHLLOKOSA-N 2 1 274.452 3.254 20 0 CGADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001462651641 937656601 /nfs/dbraw/zinc/65/66/01/937656601.db2.gz ASCSISJGYLYLDQ-OTWHNJEPSA-N 2 1 286.463 3.411 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1F ZINC001308368055 933102802 /nfs/dbraw/zinc/10/28/02/933102802.db2.gz ZXBXDDFNYJUGOY-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP CCNc1ccccc1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC001308601595 933140206 /nfs/dbraw/zinc/14/02/06/933140206.db2.gz UYGZHDJCNVBWFO-HOCLYGCPSA-N 2 1 275.440 3.033 20 0 CGADMP CCNc1ccccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001308601595 933140207 /nfs/dbraw/zinc/14/02/07/933140207.db2.gz UYGZHDJCNVBWFO-HOCLYGCPSA-N 2 1 275.440 3.033 20 0 CGADMP CCNc1ccccc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001308601595 933140209 /nfs/dbraw/zinc/14/02/09/933140209.db2.gz UYGZHDJCNVBWFO-HOCLYGCPSA-N 2 1 275.440 3.033 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC001308968954 933215915 /nfs/dbraw/zinc/21/59/15/933215915.db2.gz KVBOXMYIJFHVQV-IRXDYDNUSA-N 2 1 274.452 3.310 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@H](CC(C)C)c2ccccn2)C1 ZINC001319199294 933840668 /nfs/dbraw/zinc/84/06/68/933840668.db2.gz VIOKNQORHXIHNJ-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC001319199294 933840681 /nfs/dbraw/zinc/84/06/81/933840681.db2.gz VIOKNQORHXIHNJ-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC001320174885 934013853 /nfs/dbraw/zinc/01/38/53/934013853.db2.gz PGEKWYBNVKQFKU-GOSISDBHSA-N 2 1 290.426 3.319 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC001320527451 934061361 /nfs/dbraw/zinc/06/13/61/934061361.db2.gz XFMLXWKMLBVQDJ-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC001320527451 934061367 /nfs/dbraw/zinc/06/13/67/934061367.db2.gz XFMLXWKMLBVQDJ-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001321020869 934136363 /nfs/dbraw/zinc/13/63/63/934136363.db2.gz XXGSEXFUSKFNLW-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC001322632143 934323216 /nfs/dbraw/zinc/32/32/16/934323216.db2.gz DRMCMXJRXZMZHD-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC001322632143 934323225 /nfs/dbraw/zinc/32/32/25/934323225.db2.gz DRMCMXJRXZMZHD-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001323960252 934443195 /nfs/dbraw/zinc/44/31/95/934443195.db2.gz OVRJFHUXHFXDBC-UONOGXRCSA-N 2 1 281.403 3.002 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366019 934492728 /nfs/dbraw/zinc/49/27/28/934492728.db2.gz UUIMIMOTEHAWJB-ZBFHGGJFSA-N 2 1 275.440 3.128 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001324423229 934501073 /nfs/dbraw/zinc/50/10/73/934501073.db2.gz AUULRADSODQNFM-QDIHITRGSA-N 2 1 284.513 3.371 20 0 CGADMP CCC[C@H](C)CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001473725406 937818996 /nfs/dbraw/zinc/81/89/96/937818996.db2.gz OHZSNRGEGCOEIJ-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001473725406 937818998 /nfs/dbraw/zinc/81/89/98/937818998.db2.gz OHZSNRGEGCOEIJ-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001473725406 937819000 /nfs/dbraw/zinc/81/90/00/937819000.db2.gz OHZSNRGEGCOEIJ-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001473725406 937819001 /nfs/dbraw/zinc/81/90/01/937819001.db2.gz OHZSNRGEGCOEIJ-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329499024 935221195 /nfs/dbraw/zinc/22/11/95/935221195.db2.gz MBRNBYGMOLCPTH-CYBMUJFWSA-N 2 1 294.389 3.491 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC001330355127 935286931 /nfs/dbraw/zinc/28/69/31/935286931.db2.gz YVLXUSPBHHFPOR-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC001330355127 935286933 /nfs/dbraw/zinc/28/69/33/935286933.db2.gz YVLXUSPBHHFPOR-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001330715135 935316171 /nfs/dbraw/zinc/31/61/71/935316171.db2.gz UCGNKCRQSMNXJK-NXHRZFHOSA-N 2 1 289.467 3.255 20 0 CGADMP C[C@@H]1CCc2nc(C[N@@H+](C)CCCCCC[NH3+])sc2C1 ZINC001332395718 935465311 /nfs/dbraw/zinc/46/53/11/935465311.db2.gz KXCLCBNYWFMHJB-CYBMUJFWSA-N 2 1 295.496 3.219 20 0 CGADMP c1ccc([C@@H]2CSCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC001333159933 935515312 /nfs/dbraw/zinc/51/53/12/935515312.db2.gz BGNKIZLYNPPIKD-RDJZCZTQSA-N 2 1 290.476 3.166 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC001333419747 935534970 /nfs/dbraw/zinc/53/49/70/935534970.db2.gz AXVDKBUFQFLBIW-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC001333560293 935546988 /nfs/dbraw/zinc/54/69/88/935546988.db2.gz SXRREQMUKOURSE-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC001333560293 935546991 /nfs/dbraw/zinc/54/69/91/935546991.db2.gz SXRREQMUKOURSE-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCC(F)(F)F)CC1 ZINC001333613034 935552364 /nfs/dbraw/zinc/55/23/64/935552364.db2.gz YUNPFPHHJXWPBN-UHFFFAOYSA-N 2 1 266.351 3.134 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001333891957 936074387 /nfs/dbraw/zinc/07/43/87/936074387.db2.gz NMKGGLJOSDWEMF-JZXOWHBKSA-N 2 1 290.426 3.296 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732865 937819708 /nfs/dbraw/zinc/81/97/08/937819708.db2.gz XKFBCYQNIGVWEM-CYBMUJFWSA-N 2 1 261.413 3.238 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732865 937819710 /nfs/dbraw/zinc/81/97/10/937819710.db2.gz XKFBCYQNIGVWEM-CYBMUJFWSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC001474320781 937851281 /nfs/dbraw/zinc/85/12/81/937851281.db2.gz QFLVZTNLPZYEJR-OALUTQOASA-N 2 1 286.463 3.262 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC001474320781 937851283 /nfs/dbraw/zinc/85/12/83/937851283.db2.gz QFLVZTNLPZYEJR-OALUTQOASA-N 2 1 286.463 3.262 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC001474320781 937851285 /nfs/dbraw/zinc/85/12/85/937851285.db2.gz QFLVZTNLPZYEJR-OALUTQOASA-N 2 1 286.463 3.262 20 0 CGADMP C[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC001474478166 937862387 /nfs/dbraw/zinc/86/23/87/937862387.db2.gz ZXQXBCLLYYTKGG-CQSZACIVSA-N 2 1 296.405 3.486 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001549034295 938154559 /nfs/dbraw/zinc/15/45/59/938154559.db2.gz NQVHNIIHEFBTGN-UBDQQSCGSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540767 938167525 /nfs/dbraw/zinc/16/75/25/938167525.db2.gz KQYNXTNTURYMGQ-SNPRPXQTSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540767 938167526 /nfs/dbraw/zinc/16/75/26/938167526.db2.gz KQYNXTNTURYMGQ-SNPRPXQTSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540767 938167527 /nfs/dbraw/zinc/16/75/27/938167527.db2.gz KQYNXTNTURYMGQ-SNPRPXQTSA-N 2 1 278.827 3.285 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CC34CCC4)CC[NH2+]2)cc1 ZINC001551379391 938180822 /nfs/dbraw/zinc/18/08/22/938180822.db2.gz NVIPIHMYQMMSJY-HRCADAONSA-N 2 1 256.393 3.012 20 0 CGADMP CC(C)OC1CC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001552080880 938189981 /nfs/dbraw/zinc/18/99/81/938189981.db2.gz WSXBTLGWZMSEIO-AQEOSJORSA-N 2 1 288.435 3.025 20 0 CGADMP C[C@H](CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C1CCCCC1 ZINC001560077756 938243312 /nfs/dbraw/zinc/24/33/12/938243312.db2.gz WWEYPJPPQIGEAZ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C1CCCCC1 ZINC001560077756 938243313 /nfs/dbraw/zinc/24/33/13/938243313.db2.gz WWEYPJPPQIGEAZ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C1CCCCC1 ZINC001560077756 938243314 /nfs/dbraw/zinc/24/33/14/938243314.db2.gz WWEYPJPPQIGEAZ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1CCCCC1 ZINC001560077756 938243315 /nfs/dbraw/zinc/24/33/15/938243315.db2.gz WWEYPJPPQIGEAZ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C1CCCCC1 ZINC001560077756 938243316 /nfs/dbraw/zinc/24/33/16/938243316.db2.gz WWEYPJPPQIGEAZ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](CN1CC[C@H]2[C@H](CC[N@H+]2C)C1)C1CCCCC1 ZINC001560077757 938243547 /nfs/dbraw/zinc/24/35/47/938243547.db2.gz WWEYPJPPQIGEAZ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)C1CCCCC1 ZINC001560077757 938243548 /nfs/dbraw/zinc/24/35/48/938243548.db2.gz WWEYPJPPQIGEAZ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)C1CCCCC1 ZINC001560077757 938243549 /nfs/dbraw/zinc/24/35/49/938243549.db2.gz WWEYPJPPQIGEAZ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1CCCCC1 ZINC001560077757 938243550 /nfs/dbraw/zinc/24/35/50/938243550.db2.gz WWEYPJPPQIGEAZ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)C1CCCCC1 ZINC001560077757 938243551 /nfs/dbraw/zinc/24/35/51/938243551.db2.gz WWEYPJPPQIGEAZ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001560326744 938253308 /nfs/dbraw/zinc/25/33/08/938253308.db2.gz JSWTYAZGLCXEPG-AWEZNQCLSA-N 2 1 278.440 3.317 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001560326744 938253309 /nfs/dbraw/zinc/25/33/09/938253309.db2.gz JSWTYAZGLCXEPG-AWEZNQCLSA-N 2 1 278.440 3.317 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(F)ccc1C ZINC001560349825 938254653 /nfs/dbraw/zinc/25/46/53/938254653.db2.gz XOVGWDDBMLTOSZ-UHFFFAOYSA-N 2 1 275.371 3.209 20 0 CGADMP c1cc2c(c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c1)CCC2 ZINC001560547249 938262753 /nfs/dbraw/zinc/26/27/53/938262753.db2.gz ZXQHWTRXUJKDFR-QGZVFWFLSA-N 2 1 298.474 3.387 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2ccsc2S1 ZINC001560796167 938276050 /nfs/dbraw/zinc/27/60/50/938276050.db2.gz RJKGXBMIDBWUBG-FMSGJZPZSA-N 2 1 294.489 3.167 20 0 CGADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c2ccsc2S1 ZINC001560796167 938276051 /nfs/dbraw/zinc/27/60/51/938276051.db2.gz RJKGXBMIDBWUBG-FMSGJZPZSA-N 2 1 294.489 3.167 20 0 CGADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c2ccsc2S1 ZINC001560796167 938276052 /nfs/dbraw/zinc/27/60/52/938276052.db2.gz RJKGXBMIDBWUBG-FMSGJZPZSA-N 2 1 294.489 3.167 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC001560863990 938280571 /nfs/dbraw/zinc/28/05/71/938280571.db2.gz KNPYJFUKTDZFIT-AWEZNQCLSA-N 2 1 266.404 3.078 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC001560863990 938280573 /nfs/dbraw/zinc/28/05/73/938280573.db2.gz KNPYJFUKTDZFIT-AWEZNQCLSA-N 2 1 266.404 3.078 20 0 CGADMP CC(C)(C)c1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001575272762 962347874 /nfs/dbraw/zinc/34/78/74/962347874.db2.gz MYNGOGQKUXXHNF-IXDOHACOSA-N 2 1 272.436 3.009 20 0 CGADMP CC(C)(C)[C@@H]1CC[N@@H+](CCCCCCC[NH3+])CCO1 ZINC001575125031 962354698 /nfs/dbraw/zinc/35/46/98/962354698.db2.gz PJZCQNNMDHJSFL-HNNXBMFYSA-N 2 1 270.461 3.033 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC001575421618 962379536 /nfs/dbraw/zinc/37/95/36/962379536.db2.gz AEIMZZBXIHJBST-CVEARBPZSA-N 2 1 260.425 3.300 20 0 CGADMP CC(C)[C@H]1[N@@H+](Cc2cccc(C[NH3+])c2)CC12CCC2 ZINC001575520687 962391627 /nfs/dbraw/zinc/39/16/27/962391627.db2.gz LFWZJVMPYUFPRB-MRXNPFEDSA-N 2 1 258.409 3.156 20 0 CGADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1F ZINC001575941253 962418674 /nfs/dbraw/zinc/41/86/74/962418674.db2.gz MSPCNKXGWFYJTF-GXFFZTMASA-N 2 1 270.779 3.099 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)CCC2([NH3+])CCOCC2)cc1 ZINC001575854315 962422170 /nfs/dbraw/zinc/42/21/70/962422170.db2.gz JPVXLPAGURJOHD-UHFFFAOYSA-N 2 1 290.451 3.140 20 0 CGADMP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC001576050598 962426155 /nfs/dbraw/zinc/42/61/55/962426155.db2.gz VAUJERYPFGXCSB-DNVCBOLYSA-N 2 1 280.415 3.236 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC001576056834 962430319 /nfs/dbraw/zinc/43/03/19/962430319.db2.gz NUNRZGCFQYDDNX-WBMJQRKESA-N 2 1 280.843 3.378 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)C(C)(C)c1ccccc1 ZINC001576237823 962445240 /nfs/dbraw/zinc/44/52/40/962445240.db2.gz ABBFNJHSMLLWGY-DGCLKSJQSA-N 2 1 288.357 3.222 20 0 CGADMP C[C@H](c1ccccc1)[N@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 ZINC001576310961 962447490 /nfs/dbraw/zinc/44/74/90/962447490.db2.gz ONDCNQOCLCBDMK-YPMHNXCESA-N 2 1 268.351 3.195 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 ZINC001576310961 962447498 /nfs/dbraw/zinc/44/74/98/962447498.db2.gz ONDCNQOCLCBDMK-YPMHNXCESA-N 2 1 268.351 3.195 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC001576434682 962454460 /nfs/dbraw/zinc/45/44/60/962454460.db2.gz IGOUVFULSWUDTM-GJZGRUSLSA-N 2 1 252.446 3.264 20 0 CGADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001576435028 962460759 /nfs/dbraw/zinc/46/07/59/962460759.db2.gz OHVJGBJXUNUNNE-GDBMZVCRSA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)C[N@@H+](C[C@@H]2CCCC[NH2+]C2)Cc2ccccc2O1 ZINC001576457972 962466972 /nfs/dbraw/zinc/46/69/72/962466972.db2.gz RJQLAQXBTNVAPE-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001576635942 962472969 /nfs/dbraw/zinc/47/29/69/962472969.db2.gz GARGPRPVRBUSQR-WRQOLXDDSA-N 2 1 264.457 3.405 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CCCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC001576598299 962473187 /nfs/dbraw/zinc/47/31/87/962473187.db2.gz LMWMPNNABKWWEH-RDBSUJKOSA-N 2 1 296.405 3.203 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC001576800456 962489310 /nfs/dbraw/zinc/48/93/10/962489310.db2.gz IXXIORBHMSCCAZ-GDBMZVCRSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@@H]([NH2+][C@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CCC(F)(F)CC1 ZINC001576747439 962493311 /nfs/dbraw/zinc/49/33/11/962493311.db2.gz ADTKVPWRZPCLNX-BYNQJWBRSA-N 2 1 274.399 3.177 20 0 CGADMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC001577051516 962508803 /nfs/dbraw/zinc/50/88/03/962508803.db2.gz SFNQTUIJDMCGES-OAHLLOKOSA-N 2 1 294.439 3.328 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001577249322 962513794 /nfs/dbraw/zinc/51/37/94/962513794.db2.gz GXWWAFVIHSGRAP-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1F)C[C@@H]1C[NH2+]C[C@H]1C ZINC001577457652 962547951 /nfs/dbraw/zinc/54/79/51/962547951.db2.gz CLYONWKQIVQXKF-ZBFHGGJFSA-N 2 1 278.415 3.283 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)C[C@@H]1C[NH2+]C[C@H]1C ZINC001577457652 962547968 /nfs/dbraw/zinc/54/79/68/962547968.db2.gz CLYONWKQIVQXKF-ZBFHGGJFSA-N 2 1 278.415 3.283 20 0 CGADMP CC[N@@H+](Cc1ccccc1C)C[C@]1(C)CCC[NH2+]C1 ZINC001577740082 962564218 /nfs/dbraw/zinc/56/42/18/962564218.db2.gz DOLZWVVLKLDHLF-QGZVFWFLSA-N 2 1 260.425 3.207 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1ccccc1F ZINC001578234402 962577810 /nfs/dbraw/zinc/57/78/10/962577810.db2.gz YDJGNWJLHFUQFW-CJNGLKHVSA-N 2 1 264.388 3.256 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)CC1CCCCC1 ZINC001578659439 962592514 /nfs/dbraw/zinc/59/25/14/962592514.db2.gz ZOKUGUYLJGQLAV-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](C)CC1CCCCC1 ZINC001578659439 962592519 /nfs/dbraw/zinc/59/25/19/962592519.db2.gz ZOKUGUYLJGQLAV-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP COCC[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC001579002296 962612303 /nfs/dbraw/zinc/61/23/03/962612303.db2.gz PSYJYZJFQRGAPB-PBHICJAKSA-N 2 1 294.414 3.010 20 0 CGADMP COCC[C@H]([NH3+])C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC001579002299 962614407 /nfs/dbraw/zinc/61/44/07/962614407.db2.gz PSYJYZJFQRGAPB-YOEHRIQHSA-N 2 1 294.414 3.010 20 0 CGADMP C[C@H]1c2ccccc2C[N@@H+]1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001579507946 962630760 /nfs/dbraw/zinc/63/07/60/962630760.db2.gz OQXAMTDDBZPIQB-KKUMJFAQSA-N 2 1 258.409 3.328 20 0 CGADMP Cc1ccc([C@@H](C)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001579666361 962647249 /nfs/dbraw/zinc/64/72/49/962647249.db2.gz RQRWBROHHFXKDR-INIZCTEOSA-N 2 1 272.436 3.174 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCCCC2)cc1F ZINC001579690689 962652770 /nfs/dbraw/zinc/65/27/70/962652770.db2.gz POXHKVCEXXZVGO-UHFFFAOYSA-N 2 1 264.388 3.228 20 0 CGADMP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCCCC2)cc1F ZINC001579690689 962652780 /nfs/dbraw/zinc/65/27/80/962652780.db2.gz POXHKVCEXXZVGO-UHFFFAOYSA-N 2 1 264.388 3.228 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c1F ZINC001579761294 962667775 /nfs/dbraw/zinc/66/77/75/962667775.db2.gz YSWXKJAGHLYFHQ-DOTOQJQBSA-N 2 1 276.399 3.085 20 0 CGADMP Cc1ncoc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001579888120 962675666 /nfs/dbraw/zinc/67/56/66/962675666.db2.gz OLCOWOTYABYXBA-HOCLYGCPSA-N 2 1 291.439 3.103 20 0 CGADMP Cc1scc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1C ZINC001579936897 962680792 /nfs/dbraw/zinc/68/07/92/962680792.db2.gz CYMWXFWXPINNSM-ABAIWWIYSA-N 2 1 266.454 3.314 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001580033351 962690430 /nfs/dbraw/zinc/69/04/30/962690430.db2.gz JKISZAXNDIDOSN-IRXDYDNUSA-N 2 1 288.410 3.147 20 0 CGADMP Fc1ccc(CC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001580030012 962691847 /nfs/dbraw/zinc/69/18/47/962691847.db2.gz FFSUUNAFETWTPE-AEFFLSMTSA-N 2 1 290.426 3.222 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)CC(F)(F)F ZINC001580132656 962701874 /nfs/dbraw/zinc/70/18/74/962701874.db2.gz QOLKKYFXOQSPOR-PWSUYJOCSA-N 2 1 292.732 3.197 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)CC1 ZINC001580244184 962710245 /nfs/dbraw/zinc/71/02/45/962710245.db2.gz SGNZEECCFTVBFB-LJQANCHMSA-N 2 1 284.447 3.095 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC001580243997 962710630 /nfs/dbraw/zinc/71/06/30/962710630.db2.gz NOJNAEZEIATCGC-CQSZACIVSA-N 2 1 278.827 3.086 20 0 CGADMP [NH3+]Cc1ccc(C[NH2+]Cc2cncc(Cl)c2Cl)cc1 ZINC001580339424 962713459 /nfs/dbraw/zinc/71/34/59/962713459.db2.gz LPPCHIRTYBVCAU-UHFFFAOYSA-N 2 1 296.201 3.137 20 0 CGADMP c1ccc(N2CCCCC2)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC001580895845 962743515 /nfs/dbraw/zinc/74/35/15/962743515.db2.gz VIWKFFNBLOCBHK-UHFFFAOYSA-N 2 1 299.462 3.005 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000621563365 349546887 /nfs/dbraw/zinc/54/68/87/349546887.db2.gz QXZFMURMGWENLX-SFHVURJKSA-N 2 1 274.452 3.461 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc3cnccc3o2)C[C@H]1C ZINC000651644493 398261509 /nfs/dbraw/zinc/26/15/09/398261509.db2.gz SXOWPDZDGLQFQI-HIFRSBDPSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cnccc3o2)C[C@H]1C ZINC000651644493 398261512 /nfs/dbraw/zinc/26/15/12/398261512.db2.gz SXOWPDZDGLQFQI-HIFRSBDPSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3cnccc3o2)C[C@H]1C ZINC000651644493 398261515 /nfs/dbraw/zinc/26/15/15/398261515.db2.gz SXOWPDZDGLQFQI-HIFRSBDPSA-N 2 1 287.407 3.132 20 0 CGADMP C[C@@H](c1cccc(O)c1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000125155534 187172691 /nfs/dbraw/zinc/17/26/91/187172691.db2.gz IUGMVASWRRTCQK-HNNXBMFYSA-N 2 1 276.424 3.261 20 0 CGADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000125155534 187172692 /nfs/dbraw/zinc/17/26/92/187172692.db2.gz IUGMVASWRRTCQK-HNNXBMFYSA-N 2 1 276.424 3.261 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cc2cnccc2o1)C(C)(C)C ZINC000651711860 398273459 /nfs/dbraw/zinc/27/34/59/398273459.db2.gz QIKHSVFDCGMQHO-INIZCTEOSA-N 2 1 289.423 3.284 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000651808428 398290695 /nfs/dbraw/zinc/29/06/95/398290695.db2.gz QRCQGEPDDQQFLW-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP CC1CC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000622044326 349623173 /nfs/dbraw/zinc/62/31/73/349623173.db2.gz AUSKRIHSLCNCPD-YQEWQEHLSA-N 2 1 258.409 3.115 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000651829455 398295575 /nfs/dbraw/zinc/29/55/75/398295575.db2.gz COTGCAAEOVLGRW-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337995627 214350948 /nfs/dbraw/zinc/35/09/48/214350948.db2.gz IYRZHXVRTGVHOT-LSDHHAIUSA-N 2 1 258.425 3.225 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000338007681 214356442 /nfs/dbraw/zinc/35/64/42/214356442.db2.gz ARTSNEVFTIXNTC-HZPDHXFCSA-N 2 1 261.413 3.140 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338006934 214356839 /nfs/dbraw/zinc/35/68/39/214356839.db2.gz DNOBYKJXMMLYER-BMFZPTHFSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)C[NH3+] ZINC000423327655 529416778 /nfs/dbraw/zinc/41/67/78/529416778.db2.gz NOJCTWZAHGNRBW-ZYHUDNBSSA-N 2 1 272.845 3.148 20 0 CGADMP C(=C\C[N@H+]1CCC[C@@H]1C1CC1)\C[NH+]1CCC[C@@H]1C1CC1 ZINC000590787550 346875958 /nfs/dbraw/zinc/87/59/58/346875958.db2.gz ADYGRMWFTGBPEC-FKAFAWJWSA-N 2 1 274.452 3.291 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000590786296 346876109 /nfs/dbraw/zinc/87/61/09/346876109.db2.gz NQICXUVXUBOTRQ-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000423460536 529453141 /nfs/dbraw/zinc/45/31/41/529453141.db2.gz IZYFXGHQLVLCEV-AAEUAGOBSA-N 2 1 272.339 3.066 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423478464 529453700 /nfs/dbraw/zinc/45/37/00/529453700.db2.gz UPPDCKVPKIVTEL-PKOBYXMFSA-N 2 1 298.430 3.306 20 0 CGADMP CC[C@@](C)(O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000161587343 529509462 /nfs/dbraw/zinc/50/94/62/529509462.db2.gz XVKPMRMHLPWNNX-FUHWJXTLSA-N 2 1 296.499 3.124 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423466412 529567868 /nfs/dbraw/zinc/56/78/68/529567868.db2.gz NMNSYQVNHOVTLZ-BLLLJJGKSA-N 2 1 272.392 3.236 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000423467778 529569366 /nfs/dbraw/zinc/56/93/66/529569366.db2.gz OBYKFPNDTXMZIF-UKRRQHHQSA-N 2 1 264.413 3.109 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)s1 ZINC000423341182 529591561 /nfs/dbraw/zinc/59/15/61/529591561.db2.gz XRRHDCLVRDPOPA-VIFPVBQESA-N 2 1 258.818 3.324 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1csc(Cl)c1Cl ZINC000623085976 349758033 /nfs/dbraw/zinc/75/80/33/349758033.db2.gz QDNHZXSNWQUIKL-UHFFFAOYSA-N 2 1 290.219 3.121 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)CC1(C)C ZINC000623344235 349783847 /nfs/dbraw/zinc/78/38/47/349783847.db2.gz BRLGZEXZDBLHLW-GDBMZVCRSA-N 2 1 258.409 3.136 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000268811917 282209793 /nfs/dbraw/zinc/20/97/93/282209793.db2.gz MEQCCRZXFDKWNE-HNNXBMFYSA-N 2 1 275.783 3.122 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CCC1 ZINC000449132529 529613056 /nfs/dbraw/zinc/61/30/56/529613056.db2.gz UWBQNCPROPBPSC-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000342608502 282206971 /nfs/dbraw/zinc/20/69/71/282206971.db2.gz YGOPSJFJOOYEGI-SFHVURJKSA-N 2 1 281.403 3.343 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000342608502 282206972 /nfs/dbraw/zinc/20/69/72/282206972.db2.gz YGOPSJFJOOYEGI-SFHVURJKSA-N 2 1 281.403 3.343 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)ccc1OC ZINC000423392747 529671446 /nfs/dbraw/zinc/67/14/46/529671446.db2.gz LZHDMWLNHJNOEY-UGFHNGPFSA-N 2 1 296.842 3.387 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000623425714 349806051 /nfs/dbraw/zinc/80/60/51/349806051.db2.gz KNDNPFOECMPION-MSOLQXFVSA-N 2 1 286.463 3.470 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623439154 349809776 /nfs/dbraw/zinc/80/97/76/349809776.db2.gz XZIOLXZZNFAXKU-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccnc1 ZINC000623442469 349810324 /nfs/dbraw/zinc/81/03/24/349810324.db2.gz PCSIPYSIUJVSLU-SJORKVTESA-N 2 1 289.467 3.284 20 0 CGADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623446588 349811551 /nfs/dbraw/zinc/81/15/51/349811551.db2.gz JXTBEXSUEKOQSR-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC3CCC2CC3)CC1(C)C ZINC000623453374 349812796 /nfs/dbraw/zinc/81/27/96/349812796.db2.gz LZALFEFKPBCCTP-NEXFUWMNSA-N 2 1 250.430 3.028 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000358336038 282274230 /nfs/dbraw/zinc/27/42/30/282274230.db2.gz BLENGVRJKKHEMO-ULQDDVLXSA-N 2 1 282.472 3.044 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000423518036 529730015 /nfs/dbraw/zinc/73/00/15/529730015.db2.gz ZBBGEFBGTSKVCW-GXFFZTMASA-N 2 1 281.469 3.182 20 0 CGADMP CN(C)c1ccccc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359310768 529794132 /nfs/dbraw/zinc/79/41/32/529794132.db2.gz QWDNZOGJCBTGNC-UHFFFAOYSA-N 2 1 297.446 3.104 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(C)C)CC1(C)C ZINC000623533989 349828509 /nfs/dbraw/zinc/82/85/09/349828509.db2.gz RDCOPLQXLCYGHT-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCCCCC2)CC1(C)C ZINC000623539551 349829497 /nfs/dbraw/zinc/82/94/97/349829497.db2.gz UBAPTMSXYFHYPH-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)CC1(C)C ZINC000623565425 349836758 /nfs/dbraw/zinc/83/67/58/349836758.db2.gz MPEXAQUUMILBFH-ZOBUZTSGSA-N 2 1 288.435 3.059 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@H]2CCC[C@@H]21 ZINC000368611385 529806804 /nfs/dbraw/zinc/80/68/04/529806804.db2.gz CSSJKXDCWWEYIM-AGIUHOORSA-N 2 1 284.856 3.364 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000424353906 529807240 /nfs/dbraw/zinc/80/72/40/529807240.db2.gz POJMCPXSLHKFGJ-ADHGMGHFSA-N 2 1 270.420 3.210 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000424353906 529807241 /nfs/dbraw/zinc/80/72/41/529807241.db2.gz POJMCPXSLHKFGJ-ADHGMGHFSA-N 2 1 270.420 3.210 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073102 529808331 /nfs/dbraw/zinc/80/83/31/529808331.db2.gz WHUPDEJGMXRPBX-VJANTYMQSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073102 529808332 /nfs/dbraw/zinc/80/83/32/529808332.db2.gz WHUPDEJGMXRPBX-VJANTYMQSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073102 529808333 /nfs/dbraw/zinc/80/83/33/529808333.db2.gz WHUPDEJGMXRPBX-VJANTYMQSA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000623657386 349860015 /nfs/dbraw/zinc/86/00/15/349860015.db2.gz PKAKDCRKNICCFI-YVARQFDVSA-N 2 1 294.389 3.300 20 0 CGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000623655940 349856734 /nfs/dbraw/zinc/85/67/34/349856734.db2.gz JDCQTOSEZHZODX-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656147 349856950 /nfs/dbraw/zinc/85/69/50/349856950.db2.gz OBSBWSFHBZYIFR-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000623655892 349857261 /nfs/dbraw/zinc/85/72/61/349857261.db2.gz IAYBPQVYITVARV-OAHLLOKOSA-N 2 1 272.436 3.386 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656899 349857846 /nfs/dbraw/zinc/85/78/46/349857846.db2.gz FDPIKUUMUACEDP-USXIJHARSA-N 2 1 264.457 3.300 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000623656639 349858051 /nfs/dbraw/zinc/85/80/51/349858051.db2.gz YWKAMVAEJREDAU-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000623656639 349858055 /nfs/dbraw/zinc/85/80/55/349858055.db2.gz YWKAMVAEJREDAU-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CN(CCC[NH+]1CCCC1)c1cc[nH+]c2ccsc21 ZINC000358665303 529887090 /nfs/dbraw/zinc/88/70/90/529887090.db2.gz NOFVMKXQCSYLCB-UHFFFAOYSA-N 2 1 275.421 3.218 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423269486 529985726 /nfs/dbraw/zinc/98/57/26/529985726.db2.gz GXIDBZDNYMBQOG-ZJUUUORDSA-N 2 1 275.223 3.500 20 0 CGADMP C[N@@H+](Cc1cccc2ccoc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449323772 529996656 /nfs/dbraw/zinc/99/66/56/529996656.db2.gz WZHQNNGWFWURSO-SJPCQFCGSA-N 2 1 284.403 3.490 20 0 CGADMP C[NH+](Cc1cccc2ccoc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449323772 529996658 /nfs/dbraw/zinc/99/66/58/529996658.db2.gz WZHQNNGWFWURSO-SJPCQFCGSA-N 2 1 284.403 3.490 20 0 CGADMP C[NH+](Cc1cccc2ccoc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449323772 529996659 /nfs/dbraw/zinc/99/66/59/529996659.db2.gz WZHQNNGWFWURSO-SJPCQFCGSA-N 2 1 284.403 3.490 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389960 344997894 /nfs/dbraw/zinc/99/78/94/344997894.db2.gz VLTQQYGSLAPJGJ-ZDUSSCGKSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389960 344997896 /nfs/dbraw/zinc/99/78/96/344997896.db2.gz VLTQQYGSLAPJGJ-ZDUSSCGKSA-N 2 1 284.806 3.299 20 0 CGADMP CN(C)c1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860930 345525138 /nfs/dbraw/zinc/52/51/38/345525138.db2.gz LJTHRNQPAJFZSV-KRWDZBQOSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000075860930 345525141 /nfs/dbraw/zinc/52/51/41/345525141.db2.gz LJTHRNQPAJFZSV-KRWDZBQOSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000075860930 345525143 /nfs/dbraw/zinc/52/51/43/345525143.db2.gz LJTHRNQPAJFZSV-KRWDZBQOSA-N 2 1 289.467 3.059 20 0 CGADMP c1ccc(OCCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000079881703 345657799 /nfs/dbraw/zinc/65/77/99/345657799.db2.gz QGVVYYVYZGGNCK-UHFFFAOYSA-N 2 1 288.435 3.016 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000086907465 345751570 /nfs/dbraw/zinc/75/15/70/345751570.db2.gz MSDHUHLVUSFUKH-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091261407 345808675 /nfs/dbraw/zinc/80/86/75/345808675.db2.gz RPXSMKWSHWVWAH-MRXNPFEDSA-N 2 1 263.429 3.100 20 0 CGADMP COCC[NH+]1CCC([NH2+]CC2CCC(C(C)C)CC2)CC1 ZINC000090576681 345790840 /nfs/dbraw/zinc/79/08/40/345790840.db2.gz CRCHJKWIUMUADY-UHFFFAOYSA-N 2 1 296.499 3.149 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3cc(F)ccc3o2)C1 ZINC000093770001 345887104 /nfs/dbraw/zinc/88/71/04/345887104.db2.gz UJYHUSTVSLYBIQ-ZDUSSCGKSA-N 2 1 290.382 3.346 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3cc(F)ccc3o2)C1 ZINC000093770001 345887106 /nfs/dbraw/zinc/88/71/06/345887106.db2.gz UJYHUSTVSLYBIQ-ZDUSSCGKSA-N 2 1 290.382 3.346 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000093770001 345887109 /nfs/dbraw/zinc/88/71/09/345887109.db2.gz UJYHUSTVSLYBIQ-ZDUSSCGKSA-N 2 1 290.382 3.346 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000093770001 345887112 /nfs/dbraw/zinc/88/71/12/345887112.db2.gz UJYHUSTVSLYBIQ-ZDUSSCGKSA-N 2 1 290.382 3.346 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1nccs1 ZINC000093398262 345877331 /nfs/dbraw/zinc/87/73/31/345877331.db2.gz MOMIJHHHJKTLJV-KGLIPLIRSA-N 2 1 281.469 3.448 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C)[C@@H](C)C1 ZINC000351658600 219165863 /nfs/dbraw/zinc/16/58/63/219165863.db2.gz IXXFCFRMPVTSPO-SWLSCSKDSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2C)[C@@H](C)C1 ZINC000351658600 219165864 /nfs/dbraw/zinc/16/58/64/219165864.db2.gz IXXFCFRMPVTSPO-SWLSCSKDSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2C)[C@@H](C)C1 ZINC000351658600 219165865 /nfs/dbraw/zinc/16/58/65/219165865.db2.gz IXXFCFRMPVTSPO-SWLSCSKDSA-N 2 1 266.454 3.219 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157561260 346161926 /nfs/dbraw/zinc/16/19/26/346161926.db2.gz XUEGJMDAUXZXKF-DGCLKSJQSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157561260 346161928 /nfs/dbraw/zinc/16/19/28/346161928.db2.gz XUEGJMDAUXZXKF-DGCLKSJQSA-N 2 1 289.810 3.200 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000232666308 346327284 /nfs/dbraw/zinc/32/72/84/346327284.db2.gz UQZSVHVZOLWVPY-OAHLLOKOSA-N 2 1 280.843 3.468 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000250235479 346384723 /nfs/dbraw/zinc/38/47/23/346384723.db2.gz GRGDKRRFIQGPHQ-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000312585119 346477366 /nfs/dbraw/zinc/47/73/66/346477366.db2.gz CHRMOWYTIRPINP-BZOOQXSSSA-N 2 1 278.415 3.390 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000312585119 346477371 /nfs/dbraw/zinc/47/73/71/346477371.db2.gz CHRMOWYTIRPINP-BZOOQXSSSA-N 2 1 278.415 3.390 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000312998659 346478260 /nfs/dbraw/zinc/47/82/60/346478260.db2.gz WBVCSTJMWVQHPV-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP CSCC1CCC([NH2+]CCC[N@@H+](C)CC(C)C)CC1 ZINC000593645813 347098129 /nfs/dbraw/zinc/09/81/29/347098129.db2.gz JRZHXAZMDOPXAD-UHFFFAOYSA-N 2 1 286.529 3.476 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000274798418 232556683 /nfs/dbraw/zinc/55/66/83/232556683.db2.gz NYYPZUPPZWCNHE-HOCLYGCPSA-N 2 1 261.413 3.164 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624120641 349976243 /nfs/dbraw/zinc/97/62/43/349976243.db2.gz DDOREPXJCYBIKI-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000351861615 219229166 /nfs/dbraw/zinc/22/91/66/219229166.db2.gz LBRKDRQXLRHQEZ-STQMWFEESA-N 2 1 298.883 3.491 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624120644 349976880 /nfs/dbraw/zinc/97/68/80/349976880.db2.gz DDOREPXJCYBIKI-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121661 349979810 /nfs/dbraw/zinc/97/98/10/349979810.db2.gz ALOIKPYEBMFOIG-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000624122109 349979907 /nfs/dbraw/zinc/97/99/07/349979907.db2.gz JXVHOIUWXXTTRB-NVXWUHKLSA-N 2 1 288.435 3.222 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122160 349980144 /nfs/dbraw/zinc/98/01/44/349980144.db2.gz KZERSNZLOBFSHA-STQMWFEESA-N 2 1 282.453 3.139 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122160 349980149 /nfs/dbraw/zinc/98/01/49/349980149.db2.gz KZERSNZLOBFSHA-STQMWFEESA-N 2 1 282.453 3.139 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624121232 349978203 /nfs/dbraw/zinc/97/82/03/349978203.db2.gz QPPGBFXBJJTYLV-BXUZGUMPSA-N 2 1 281.469 3.142 20 0 CGADMP Fc1ccc2c(NC[C@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000603493204 348086771 /nfs/dbraw/zinc/08/67/71/348086771.db2.gz KNQFZDKTWSELNH-GFCCVEGCSA-N 2 1 285.366 3.270 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc2cnccc2o1 ZINC000624123228 349982388 /nfs/dbraw/zinc/98/23/88/349982388.db2.gz IGYODDDORIPUGZ-UONOGXRCSA-N 2 1 287.407 3.210 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000624123228 349982392 /nfs/dbraw/zinc/98/23/92/349982392.db2.gz IGYODDDORIPUGZ-UONOGXRCSA-N 2 1 287.407 3.210 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccncc1 ZINC000624123498 349983183 /nfs/dbraw/zinc/98/31/83/349983183.db2.gz NFOLDXHNIJXARB-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000339407579 215152539 /nfs/dbraw/zinc/15/25/39/215152539.db2.gz PRFMRLUOYQDQEE-WNRNVDISSA-N 2 1 272.436 3.095 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000339409768 215155031 /nfs/dbraw/zinc/15/50/31/215155031.db2.gz NNZMQCKZHQODSS-CJNGLKHVSA-N 2 1 266.404 3.234 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000607729373 348259441 /nfs/dbraw/zinc/25/94/41/348259441.db2.gz WEBCOJVIKAPXSO-UHFFFAOYSA-N 2 1 295.496 3.312 20 0 CGADMP CC(C)CSCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339440939 215173862 /nfs/dbraw/zinc/17/38/62/215173862.db2.gz KSAUCQHJURLFSI-INIZCTEOSA-N 2 1 284.513 3.183 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339440939 215173865 /nfs/dbraw/zinc/17/38/65/215173865.db2.gz KSAUCQHJURLFSI-INIZCTEOSA-N 2 1 284.513 3.183 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339440939 215173868 /nfs/dbraw/zinc/17/38/68/215173868.db2.gz KSAUCQHJURLFSI-INIZCTEOSA-N 2 1 284.513 3.183 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000128885138 187395735 /nfs/dbraw/zinc/39/57/35/187395735.db2.gz OUIADJJAZXZNNT-VXGBXAGGSA-N 2 1 252.789 3.133 20 0 CGADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccnc1 ZINC000273439246 192149199 /nfs/dbraw/zinc/14/91/99/192149199.db2.gz XXFZKNOFFZMYOH-INIZCTEOSA-N 2 1 272.396 3.108 20 0 CGADMP Cc1cccc(C)c1OCCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000358354358 233114727 /nfs/dbraw/zinc/11/47/27/233114727.db2.gz KDDAPMZXASHPAG-QGZVFWFLSA-N 2 1 290.451 3.146 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352049972 219303301 /nfs/dbraw/zinc/30/33/01/219303301.db2.gz OZWCHHRANVZMPS-ARFHVFGLSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H](F)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352049972 219303302 /nfs/dbraw/zinc/30/33/02/219303302.db2.gz OZWCHHRANVZMPS-ARFHVFGLSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H](F)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000352049972 219303304 /nfs/dbraw/zinc/30/33/04/219303304.db2.gz OZWCHHRANVZMPS-ARFHVFGLSA-N 2 1 270.436 3.321 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2cc[nH]c21 ZINC000271235814 191020092 /nfs/dbraw/zinc/02/00/92/191020092.db2.gz DFTQJLRWXGYZBC-SJORKVTESA-N 2 1 283.419 3.227 20 0 CGADMP Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000625252774 350146970 /nfs/dbraw/zinc/14/69/70/350146970.db2.gz JYKJSDONZUDHIF-LLVKDONJSA-N 2 1 291.782 3.148 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1cnccn1 ZINC000626063144 350254817 /nfs/dbraw/zinc/25/48/17/350254817.db2.gz SGUKAHLRIRBMMS-HNNXBMFYSA-N 2 1 298.434 3.121 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628232104 350454112 /nfs/dbraw/zinc/45/41/12/350454112.db2.gz MSHSPNZVHBTRFF-UHFFFAOYSA-N 2 1 298.352 3.099 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC(F)(F)C1 ZINC000628339620 350505615 /nfs/dbraw/zinc/50/56/15/350505615.db2.gz RSCPWHMHOCFLGU-GXTWGEPZSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC(F)(F)C1 ZINC000628339620 350505619 /nfs/dbraw/zinc/50/56/19/350505619.db2.gz RSCPWHMHOCFLGU-GXTWGEPZSA-N 2 1 286.410 3.417 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000628425725 350536785 /nfs/dbraw/zinc/53/67/85/350536785.db2.gz SYQRZRIAISTLBJ-IVMQYODDSA-N 2 1 286.463 3.428 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000037256152 282712435 /nfs/dbraw/zinc/71/24/35/282712435.db2.gz SYZRUTWKSKKHMF-ROUUACIJSA-N 2 1 272.436 3.397 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000629527706 350703208 /nfs/dbraw/zinc/70/32/08/350703208.db2.gz CYBLQWAYEJJQSO-UHOFOFEASA-N 2 1 272.392 3.094 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540321 350706713 /nfs/dbraw/zinc/70/67/13/350706713.db2.gz OVHVDPIEYMKSFD-JMSVASOKSA-N 2 1 282.378 3.016 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629541724 350707860 /nfs/dbraw/zinc/70/78/60/350707860.db2.gz UUWQRRPONKQTJF-WCXIOVBPSA-N 2 1 287.451 3.146 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C[NH2+]1 ZINC000629543109 350708215 /nfs/dbraw/zinc/70/82/15/350708215.db2.gz TVCZOBCKSOFJOH-BSWAZPDLSA-N 2 1 272.436 3.299 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000629549076 350711367 /nfs/dbraw/zinc/71/13/67/350711367.db2.gz PZURNCGPPAAULV-DZGCQCFKSA-N 2 1 275.440 3.079 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000629549076 350711370 /nfs/dbraw/zinc/71/13/70/350711370.db2.gz PZURNCGPPAAULV-DZGCQCFKSA-N 2 1 275.440 3.079 20 0 CGADMP C/C=C\C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000629595322 350716704 /nfs/dbraw/zinc/71/67/04/350716704.db2.gz MRLPJSWFTUPMOH-YPQKKHBXSA-N 2 1 250.430 3.054 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629385340 350686404 /nfs/dbraw/zinc/68/64/04/350686404.db2.gz OBDDMKFGRIXUKB-XJKSGUPXSA-N 2 1 290.476 3.214 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2c1 ZINC000629518906 350700480 /nfs/dbraw/zinc/70/04/80/350700480.db2.gz MSXJRXSACWVUFX-CGTJXYLNSA-N 2 1 295.430 3.102 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000629652697 350731174 /nfs/dbraw/zinc/73/11/74/350731174.db2.gz CTIQVAMGFQDKAZ-TUKIKUTGSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)on1 ZINC000631036636 350932821 /nfs/dbraw/zinc/93/28/21/350932821.db2.gz FHUQKMPPIKUXKW-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP CC(C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196163 350987259 /nfs/dbraw/zinc/98/72/59/350987259.db2.gz NYIQOOKZDFELQC-DOTOQJQBSA-N 2 1 260.425 3.000 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)CC1(C)C ZINC000631306542 351021333 /nfs/dbraw/zinc/02/13/33/351021333.db2.gz HUPLBYLTSLFCRM-AWEZNQCLSA-N 2 1 271.408 3.130 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679587 351564975 /nfs/dbraw/zinc/56/49/75/351564975.db2.gz ZEULYYPSQCXLPO-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679587 351564979 /nfs/dbraw/zinc/56/49/79/351564979.db2.gz ZEULYYPSQCXLPO-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000634733621 351579926 /nfs/dbraw/zinc/57/99/26/351579926.db2.gz JULYDQLPZDBOGK-JTQLQIEISA-N 2 1 272.845 3.269 20 0 CGADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000635005536 351623916 /nfs/dbraw/zinc/62/39/16/351623916.db2.gz JDTCKWYDWHUWLC-OBJOEFQTSA-N 2 1 281.469 3.413 20 0 CGADMP c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000121867446 187001583 /nfs/dbraw/zinc/00/15/83/187001583.db2.gz XNYFACKXLHDHSQ-UHFFFAOYSA-N 2 1 293.480 3.231 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000123577039 187099087 /nfs/dbraw/zinc/09/90/87/187099087.db2.gz OJMHYJDODHGVIT-WBMJQRKESA-N 2 1 272.392 3.443 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000123577039 187099088 /nfs/dbraw/zinc/09/90/88/187099088.db2.gz OJMHYJDODHGVIT-WBMJQRKESA-N 2 1 272.392 3.443 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccccc2)CC[N@@H+]1C ZINC000123681450 187104310 /nfs/dbraw/zinc/10/43/10/187104310.db2.gz JSWTZKZHXDGYTI-LSDHHAIUSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccccc2)CC[N@H+]1C ZINC000123681450 187104311 /nfs/dbraw/zinc/10/43/11/187104311.db2.gz JSWTZKZHXDGYTI-LSDHHAIUSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCSc2ccccc2)CC[NH+]1C ZINC000123681450 187104312 /nfs/dbraw/zinc/10/43/12/187104312.db2.gz JSWTZKZHXDGYTI-LSDHHAIUSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCSc2ccccc2)CC[NH+]1C ZINC000123681450 187104313 /nfs/dbraw/zinc/10/43/13/187104313.db2.gz JSWTZKZHXDGYTI-LSDHHAIUSA-N 2 1 278.465 3.193 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCc3ccccc3)C2)C1 ZINC000292126337 198173050 /nfs/dbraw/zinc/17/30/50/198173050.db2.gz KSIKJMLBVDJNAQ-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCc3ccccc3)C2)C1 ZINC000292126337 198173052 /nfs/dbraw/zinc/17/30/52/198173052.db2.gz KSIKJMLBVDJNAQ-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCc3ccccc3)C2)C1 ZINC000292126337 198173054 /nfs/dbraw/zinc/17/30/54/198173054.db2.gz KSIKJMLBVDJNAQ-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP c1n[nH]c2c1[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)CCC2 ZINC000367741159 234247877 /nfs/dbraw/zinc/24/78/77/234247877.db2.gz RMCNJKYFGHSLOH-INIZCTEOSA-N 2 1 290.455 3.033 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)c1ccccc1 ZINC000152378056 188014441 /nfs/dbraw/zinc/01/44/41/188014441.db2.gz NDAWSVJWAIWQFH-HZPDHXFCSA-N 2 1 286.463 3.427 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000152788684 188044027 /nfs/dbraw/zinc/04/40/27/188044027.db2.gz SBUUFBOTMUAPGY-WOSRLPQWSA-N 2 1 294.414 3.043 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000152788684 188044028 /nfs/dbraw/zinc/04/40/28/188044028.db2.gz SBUUFBOTMUAPGY-WOSRLPQWSA-N 2 1 294.414 3.043 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cnccn1 ZINC000154859175 188166477 /nfs/dbraw/zinc/16/64/77/188166477.db2.gz GAZPGAQVLPEQPY-OAHLLOKOSA-N 2 1 298.434 3.168 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cnccn1 ZINC000154859175 188166478 /nfs/dbraw/zinc/16/64/78/188166478.db2.gz GAZPGAQVLPEQPY-OAHLLOKOSA-N 2 1 298.434 3.168 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)CC[N@H+]1C ZINC000156338715 188256338 /nfs/dbraw/zinc/25/63/38/188256338.db2.gz RJYCANXSTSHNOS-OLZOCXBDSA-N 2 1 266.454 3.098 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158497837 188379405 /nfs/dbraw/zinc/37/94/05/188379405.db2.gz GXEZYYJHLBLWGM-JJRVBVJISA-N 2 1 276.399 3.303 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158497837 188379406 /nfs/dbraw/zinc/37/94/06/188379406.db2.gz GXEZYYJHLBLWGM-JJRVBVJISA-N 2 1 276.399 3.303 20 0 CGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158497837 188379407 /nfs/dbraw/zinc/37/94/07/188379407.db2.gz GXEZYYJHLBLWGM-JJRVBVJISA-N 2 1 276.399 3.303 20 0 CGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158497837 188379408 /nfs/dbraw/zinc/37/94/08/188379408.db2.gz GXEZYYJHLBLWGM-JJRVBVJISA-N 2 1 276.399 3.303 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000158725066 188391463 /nfs/dbraw/zinc/39/14/63/188391463.db2.gz WZUNKZNHYAEABP-UHFFFAOYSA-N 2 1 289.467 3.057 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccccc3)CC[C@@H]21 ZINC000158767205 188392614 /nfs/dbraw/zinc/39/26/14/188392614.db2.gz WEISWJJHJUAQEO-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP CC(C)C1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000293045316 198506167 /nfs/dbraw/zinc/50/61/67/198506167.db2.gz RBHIMDVMRVTDPX-UHFFFAOYSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@H]2C1 ZINC000352969836 283075102 /nfs/dbraw/zinc/07/51/02/283075102.db2.gz BBHPIEPGHAIWQF-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@H]2C1 ZINC000352969836 283075103 /nfs/dbraw/zinc/07/51/03/283075103.db2.gz BBHPIEPGHAIWQF-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)[C@H]2C1 ZINC000352969836 283075105 /nfs/dbraw/zinc/07/51/05/283075105.db2.gz BBHPIEPGHAIWQF-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)[C@H]2C1 ZINC000352969836 283075106 /nfs/dbraw/zinc/07/51/06/283075106.db2.gz BBHPIEPGHAIWQF-CVEARBPZSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000271798467 191334432 /nfs/dbraw/zinc/33/44/32/191334432.db2.gz IJWFDQMHJOMMSH-UHFFFAOYSA-N 2 1 285.218 3.345 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)c1 ZINC000414073006 235329284 /nfs/dbraw/zinc/32/92/84/235329284.db2.gz VLLOHHJFXAOEOG-HNNXBMFYSA-N 2 1 278.440 3.385 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417347446 235624581 /nfs/dbraw/zinc/62/45/81/235624581.db2.gz XFFBZUAMVXZFOM-FPMFFAJLSA-N 2 1 275.421 3.035 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000119297429 370663803 /nfs/dbraw/zinc/66/38/03/370663803.db2.gz IXEFLSSDZHBCGB-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124817143 138378025 /nfs/dbraw/zinc/37/80/25/138378025.db2.gz SNGRBTILUPDXEN-OCCSQVGLSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124817143 138378026 /nfs/dbraw/zinc/37/80/26/138378026.db2.gz SNGRBTILUPDXEN-OCCSQVGLSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124817143 138378027 /nfs/dbraw/zinc/37/80/27/138378027.db2.gz SNGRBTILUPDXEN-OCCSQVGLSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124817143 138378028 /nfs/dbraw/zinc/37/80/28/138378028.db2.gz SNGRBTILUPDXEN-OCCSQVGLSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124817143 138378029 /nfs/dbraw/zinc/37/80/29/138378029.db2.gz SNGRBTILUPDXEN-OCCSQVGLSA-N 2 1 282.378 3.442 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000127133626 138388266 /nfs/dbraw/zinc/38/82/66/138388266.db2.gz OIMZEGNOFXVLKI-NSHDSACASA-N 2 1 290.329 3.188 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162761 138396449 /nfs/dbraw/zinc/39/64/49/138396449.db2.gz DHCAHSVGFRNDTL-WBVHZDCISA-N 2 1 290.476 3.195 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162761 138396450 /nfs/dbraw/zinc/39/64/50/138396450.db2.gz DHCAHSVGFRNDTL-WBVHZDCISA-N 2 1 290.476 3.195 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162761 138396451 /nfs/dbraw/zinc/39/64/51/138396451.db2.gz DHCAHSVGFRNDTL-WBVHZDCISA-N 2 1 290.476 3.195 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423264639 236013713 /nfs/dbraw/zinc/01/37/13/236013713.db2.gz PZPPODJSYWOIHZ-RHSMWYFYSA-N 2 1 276.424 3.036 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000423310408 236032973 /nfs/dbraw/zinc/03/29/73/236032973.db2.gz AIWOGZYSISPEMY-SJORKVTESA-N 2 1 276.399 3.384 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1C(F)(F)F ZINC000423313328 236034172 /nfs/dbraw/zinc/03/41/72/236034172.db2.gz FNLBDZMNBFUCHP-TVQRCGJNSA-N 2 1 272.314 3.093 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000119300920 370664012 /nfs/dbraw/zinc/66/40/12/370664012.db2.gz YHRFABHFQWOMAE-GJZGRUSLSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423327727 236040236 /nfs/dbraw/zinc/04/02/36/236040236.db2.gz NRPQBEGLSLLFCT-ZJUUUORDSA-N 2 1 274.380 3.042 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC000423331661 236040858 /nfs/dbraw/zinc/04/08/58/236040858.db2.gz USIDLFWXQVDXPM-UONOGXRCSA-N 2 1 285.218 3.308 20 0 CGADMP Clc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355954 236048595 /nfs/dbraw/zinc/04/85/95/236048595.db2.gz GBLAVOYLNDJEOW-DOMZBBRYSA-N 2 1 294.826 3.285 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423401312 236064146 /nfs/dbraw/zinc/06/41/46/236064146.db2.gz XDNOZUBIWJEGAH-GMXVVIOVSA-N 2 1 282.815 3.140 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C2CCC2)o1 ZINC000423405323 236065622 /nfs/dbraw/zinc/06/56/22/236065622.db2.gz TUCAPRROXNZVRA-DJSGYFEHSA-N 2 1 262.397 3.017 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000423514067 236090986 /nfs/dbraw/zinc/09/09/86/236090986.db2.gz LXKPYLQWPYWVFM-YOEHRIQHSA-N 2 1 290.451 3.013 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000423532762 236093454 /nfs/dbraw/zinc/09/34/54/236093454.db2.gz RVIJXZLGVVHSHL-AAEUAGOBSA-N 2 1 252.427 3.225 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000424364717 236157140 /nfs/dbraw/zinc/15/71/40/236157140.db2.gz FDFVSMZCCRSAQW-CHWSQXEVSA-N 2 1 290.304 3.204 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000424372493 236158629 /nfs/dbraw/zinc/15/86/29/236158629.db2.gz WNFQZAKWYJMJNQ-CHWSQXEVSA-N 2 1 293.461 3.231 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cc3ccccc3o1)CC[NH2+]CC2 ZINC000424289609 236143277 /nfs/dbraw/zinc/14/32/77/236143277.db2.gz MCQGTWWJFGTIDR-AWEZNQCLSA-N 2 1 284.403 3.397 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)c(F)c1)CC[NH2+]CC2 ZINC000424293738 236143837 /nfs/dbraw/zinc/14/38/37/236143837.db2.gz PVDRRLGNMHTWRD-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC12CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424326278 236150092 /nfs/dbraw/zinc/15/00/92/236150092.db2.gz OTWTWZAYODPTSN-USXIJHARSA-N 2 1 270.420 3.039 20 0 CGADMP COCC(C)(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000426408694 236293951 /nfs/dbraw/zinc/29/39/51/236293951.db2.gz BZXQMLYDMDNLKG-DLBZAZTESA-N 2 1 296.499 3.245 20 0 CGADMP COCC(C)(C)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000426408694 236293952 /nfs/dbraw/zinc/29/39/52/236293952.db2.gz BZXQMLYDMDNLKG-DLBZAZTESA-N 2 1 296.499 3.245 20 0 CGADMP COCC(C)(C)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000426408694 236293954 /nfs/dbraw/zinc/29/39/54/236293954.db2.gz BZXQMLYDMDNLKG-DLBZAZTESA-N 2 1 296.499 3.245 20 0 CGADMP Cc1ccccc1C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000428283201 236387769 /nfs/dbraw/zinc/38/77/69/236387769.db2.gz HONGJYZQZRHFLO-UHFFFAOYSA-N 2 1 260.425 3.303 20 0 CGADMP Cc1ccccc1C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000428283201 236387771 /nfs/dbraw/zinc/38/77/71/236387771.db2.gz HONGJYZQZRHFLO-UHFFFAOYSA-N 2 1 260.425 3.303 20 0 CGADMP Cc1cccc(C)c1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297330069 200150759 /nfs/dbraw/zinc/15/07/59/200150759.db2.gz CTUYVKXWHABXCF-UHFFFAOYSA-N 2 1 272.436 3.062 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(Cl)c1F ZINC000177577484 189058092 /nfs/dbraw/zinc/05/80/92/189058092.db2.gz RILFBKNCLGEGQR-LLVKDONJSA-N 2 1 295.789 3.410 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000179616829 189207775 /nfs/dbraw/zinc/20/77/75/189207775.db2.gz QHTWKICHTMTSFO-OCCSQVGLSA-N 2 1 298.377 3.423 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000440332070 238302663 /nfs/dbraw/zinc/30/26/63/238302663.db2.gz PTCZYPXYIVREDY-QGZVFWFLSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccccc1CCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000440332070 238302668 /nfs/dbraw/zinc/30/26/68/238302668.db2.gz PTCZYPXYIVREDY-QGZVFWFLSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccccc1CCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000440332070 238302671 /nfs/dbraw/zinc/30/26/71/238302671.db2.gz PTCZYPXYIVREDY-QGZVFWFLSA-N 2 1 274.452 3.201 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccccc2)CC[N@H+]1C ZINC000180955401 189285118 /nfs/dbraw/zinc/28/51/18/189285118.db2.gz INLAPHRNSKVUCJ-RDJZCZTQSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000537648073 376189679 /nfs/dbraw/zinc/18/96/79/376189679.db2.gz QXHLAFMBQDLIKB-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000537648073 376189687 /nfs/dbraw/zinc/18/96/87/376189687.db2.gz QXHLAFMBQDLIKB-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000537648073 376189697 /nfs/dbraw/zinc/18/96/97/376189697.db2.gz QXHLAFMBQDLIKB-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP Cc1cc[nH+]c(NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000301655257 201118144 /nfs/dbraw/zinc/11/81/44/201118144.db2.gz UVRVINILQWWTNN-HNNXBMFYSA-N 2 1 261.413 3.457 20 0 CGADMP Cc1cc[nH+]c(NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000301655257 201118147 /nfs/dbraw/zinc/11/81/47/201118147.db2.gz UVRVINILQWWTNN-HNNXBMFYSA-N 2 1 261.413 3.457 20 0 CGADMP Cc1nc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000301701676 201148217 /nfs/dbraw/zinc/14/82/17/201148217.db2.gz SYPKGLQUYZTWEO-CYBMUJFWSA-N 2 1 298.434 3.334 20 0 CGADMP Cc1nc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000301701676 201148220 /nfs/dbraw/zinc/14/82/20/201148220.db2.gz SYPKGLQUYZTWEO-CYBMUJFWSA-N 2 1 298.434 3.334 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOC(C)C)cc1 ZINC000183672033 189365476 /nfs/dbraw/zinc/36/54/76/189365476.db2.gz XAJHLVFDAYJXGF-AWEZNQCLSA-N 2 1 287.407 3.256 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCC12CCC2 ZINC000449069933 239157079 /nfs/dbraw/zinc/15/70/79/239157079.db2.gz AZCFKYDWUFHGBF-DZGCQCFKSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449073296 239158819 /nfs/dbraw/zinc/15/88/19/239158819.db2.gz HVUIDTFNZOSWDH-CABCVRRESA-N 2 1 298.430 3.438 20 0 CGADMP Cc1ccc2[nH+]ccc(N(C)C[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC000302141761 201361018 /nfs/dbraw/zinc/36/10/18/201361018.db2.gz FGZNPGCLIZANME-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000119679358 370697573 /nfs/dbraw/zinc/69/75/73/370697573.db2.gz XJPPRKXRFBDBTD-CQSZACIVSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](C)CC3)c2c1 ZINC000335589676 212301180 /nfs/dbraw/zinc/30/11/80/212301180.db2.gz OFJDZEXUQFJFMX-UHFFFAOYSA-N 2 1 255.365 3.049 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000451141000 240227448 /nfs/dbraw/zinc/22/74/48/240227448.db2.gz HASRJIOCFMTVND-KYZVSKTDSA-N 2 1 299.418 3.397 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275356202 193008845 /nfs/dbraw/zinc/00/88/45/193008845.db2.gz AMAVTJIDWOVFQY-HUUCEWRRSA-N 2 1 261.413 3.170 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1F ZINC000275396935 193021878 /nfs/dbraw/zinc/02/18/78/193021878.db2.gz CFOPVIGJNIQPMB-NEPJUHHUSA-N 2 1 291.345 3.075 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275403416 193023352 /nfs/dbraw/zinc/02/33/52/193023352.db2.gz ADLHNWOTMCQWJV-ZWKOTPCHSA-N 2 1 283.419 3.193 20 0 CGADMP C[N@@H+](CCCCOc1ccccc1)CCC[NH+]1CCCC1 ZINC000337285288 376191562 /nfs/dbraw/zinc/19/15/62/376191562.db2.gz ZSIFFVUUVANYFF-UHFFFAOYSA-N 2 1 290.451 3.263 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275523167 193066242 /nfs/dbraw/zinc/06/62/42/193066242.db2.gz LFQZSNKLPBPBIO-GJZGRUSLSA-N 2 1 269.392 3.105 20 0 CGADMP COc1cccc2c(N3CCC([NH+](C)C)CC3)cc(C)[nH+]c12 ZINC000121193829 370837441 /nfs/dbraw/zinc/83/74/41/370837441.db2.gz RQJZJTNLRDOCKS-UHFFFAOYSA-N 2 1 299.418 3.082 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccs1 ZINC000121434770 370861301 /nfs/dbraw/zinc/86/13/01/370861301.db2.gz RUHLOKOIKONLCM-NEPJUHHUSA-N 2 1 263.410 3.240 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1ccco1 ZINC000121458246 370862319 /nfs/dbraw/zinc/86/23/19/370862319.db2.gz KNYGVAFAVTVXDY-ZIAGYGMSSA-N 2 1 275.396 3.032 20 0 CGADMP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459419749 242100315 /nfs/dbraw/zinc/10/03/15/242100315.db2.gz XBGMJLDIHSTXFA-PBHICJAKSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCc1cncn1C ZINC000459434714 242107930 /nfs/dbraw/zinc/10/79/30/242107930.db2.gz NXCNTNKGSWSPFJ-NVXWUHKLSA-N 2 1 283.419 3.231 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000459638594 242157094 /nfs/dbraw/zinc/15/70/94/242157094.db2.gz UEJWUYOSCUZDGH-QBIMZIAESA-N 2 1 299.418 3.399 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000459726854 242193595 /nfs/dbraw/zinc/19/35/95/242193595.db2.gz BXCOPUIYZMGNCL-TXTHVTMNSA-N 2 1 294.389 3.300 20 0 CGADMP C[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000459733237 242197031 /nfs/dbraw/zinc/19/70/31/242197031.db2.gz GMBORMXJMOAFRR-GJZGRUSLSA-N 2 1 278.415 3.251 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000459773048 242225517 /nfs/dbraw/zinc/22/55/17/242225517.db2.gz SHEXWLMYBHMVNH-HOJAQTOUSA-N 2 1 298.474 3.472 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)CC)C1 ZINC000478045605 243067408 /nfs/dbraw/zinc/06/74/08/243067408.db2.gz WQALAOJUEDEXLV-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)CC)C1 ZINC000478045605 243067414 /nfs/dbraw/zinc/06/74/14/243067414.db2.gz WQALAOJUEDEXLV-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000478045605 243067418 /nfs/dbraw/zinc/06/74/18/243067418.db2.gz WQALAOJUEDEXLV-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CC[N@H+]1C[C@H](N[C@H](C)c2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000480631440 243158270 /nfs/dbraw/zinc/15/82/70/243158270.db2.gz QSRCJPHZLRSZSU-DAYGRLMNSA-N 2 1 290.451 3.465 20 0 CGADMP CC[N@@H+]1C[C@H](N[C@H](C)c2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000480631440 243158273 /nfs/dbraw/zinc/15/82/73/243158273.db2.gz QSRCJPHZLRSZSU-DAYGRLMNSA-N 2 1 290.451 3.465 20 0 CGADMP Cc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c(OC(C)C)c1 ZINC000484609259 243317543 /nfs/dbraw/zinc/31/75/43/243317543.db2.gz VWTPXWHCOBHJTP-NVXWUHKLSA-N 2 1 290.451 3.212 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCN(C)C[C@H]2C)c(OC(C)C)c1 ZINC000484609259 243317550 /nfs/dbraw/zinc/31/75/50/243317550.db2.gz VWTPXWHCOBHJTP-NVXWUHKLSA-N 2 1 290.451 3.212 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(OC(C)C)c1 ZINC000484609259 243317553 /nfs/dbraw/zinc/31/75/53/243317553.db2.gz VWTPXWHCOBHJTP-NVXWUHKLSA-N 2 1 290.451 3.212 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(OC(C)C)c1 ZINC000484609259 243317558 /nfs/dbraw/zinc/31/75/58/243317558.db2.gz VWTPXWHCOBHJTP-NVXWUHKLSA-N 2 1 290.451 3.212 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C/C=C/c2ccncc2)C1 ZINC000486951566 243383826 /nfs/dbraw/zinc/38/38/26/243383826.db2.gz SCTQPPZGPBCFNB-PFWMLDTASA-N 2 1 287.451 3.197 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(Br)c1 ZINC000019958378 368789193 /nfs/dbraw/zinc/78/91/93/368789193.db2.gz SLFHIFWSSYMQMP-NSHDSACASA-N 2 1 285.229 3.051 20 0 CGADMP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054322 368994668 /nfs/dbraw/zinc/99/46/68/368994668.db2.gz OTNUUAQSAXQTTO-UHFFFAOYSA-N 2 1 296.361 3.004 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C(CC(C)C)CC(C)C)C1 ZINC000037644193 369092849 /nfs/dbraw/zinc/09/28/49/369092849.db2.gz VVJKCMJERCVQME-OAHLLOKOSA-N 2 1 254.462 3.379 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037648868 369094409 /nfs/dbraw/zinc/09/44/09/369094409.db2.gz RQRJZADIWUZDCW-LSDHHAIUSA-N 2 1 258.409 3.130 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649202 369095898 /nfs/dbraw/zinc/09/58/98/369095898.db2.gz HJJDWXMUROFLLT-HOTGVXAUSA-N 2 1 272.436 3.438 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCSc1ccccc1 ZINC000037904185 369124048 /nfs/dbraw/zinc/12/40/48/369124048.db2.gz ZQDVNFBKQYNNDW-IIAWOOMASA-N 2 1 278.465 3.097 20 0 CGADMP C[N@@H+](CCC[NH2+]C1Cc2ccccc2C1)C1CCCCC1 ZINC000037901172 369124279 /nfs/dbraw/zinc/12/42/79/369124279.db2.gz DBLYNPXREGSCNC-UHFFFAOYSA-N 2 1 286.463 3.398 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000038097980 369144878 /nfs/dbraw/zinc/14/48/78/369144878.db2.gz QLWHVWSUQDHLNC-GOSISDBHSA-N 2 1 288.435 3.147 20 0 CGADMP c1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075701 369171458 /nfs/dbraw/zinc/17/14/58/369171458.db2.gz YUJMSLGHZLJJHT-RDTXWAMCSA-N 2 1 270.420 3.212 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527647 369263650 /nfs/dbraw/zinc/26/36/50/369263650.db2.gz SLWZVHIYXKWBJA-NWDGAFQWSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527647 369263654 /nfs/dbraw/zinc/26/36/54/369263654.db2.gz SLWZVHIYXKWBJA-NWDGAFQWSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)[C@H]1C ZINC000494895525 244328112 /nfs/dbraw/zinc/32/81/12/244328112.db2.gz SGKLOOYMHDGNOW-BFJAYTPKSA-N 2 1 252.446 3.131 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC000228536678 189793754 /nfs/dbraw/zinc/79/37/54/189793754.db2.gz TWKYPWZGCJWARK-RCCFBDPRSA-N 2 1 270.420 3.123 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2ccccc21 ZINC000052062078 369463310 /nfs/dbraw/zinc/46/33/10/369463310.db2.gz SLTSULWZJKGSJM-CJNGLKHVSA-N 2 1 254.377 3.151 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000072861098 369840746 /nfs/dbraw/zinc/84/07/46/369840746.db2.gz CPKPQIPLGMKXTC-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000072861098 369840749 /nfs/dbraw/zinc/84/07/49/369840749.db2.gz CPKPQIPLGMKXTC-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000072861098 369840760 /nfs/dbraw/zinc/84/07/60/369840760.db2.gz CPKPQIPLGMKXTC-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000072861098 369840766 /nfs/dbraw/zinc/84/07/66/369840766.db2.gz CPKPQIPLGMKXTC-CQSZACIVSA-N 2 1 298.377 3.062 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169808 369786879 /nfs/dbraw/zinc/78/68/79/369786879.db2.gz VJCKJRJPIFYZLG-VXGBXAGGSA-N 2 1 268.351 3.087 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000090720350 370065739 /nfs/dbraw/zinc/06/57/39/370065739.db2.gz PRGYVDJRBDYOTA-RISCZKNCSA-N 2 1 297.240 3.021 20 0 CGADMP CC[C@H](C)C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000093075040 370105196 /nfs/dbraw/zinc/10/51/96/370105196.db2.gz SLZSDUMGCCREIW-ZDUSSCGKSA-N 2 1 293.455 3.139 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000093644073 370150019 /nfs/dbraw/zinc/15/00/19/370150019.db2.gz PYYGUBAVYYDNIW-DGCLKSJQSA-N 2 1 284.806 3.394 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000093644073 370150024 /nfs/dbraw/zinc/15/00/24/370150024.db2.gz PYYGUBAVYYDNIW-DGCLKSJQSA-N 2 1 284.806 3.394 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC000093644073 370150033 /nfs/dbraw/zinc/15/00/33/370150033.db2.gz PYYGUBAVYYDNIW-DGCLKSJQSA-N 2 1 284.806 3.394 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC000093644073 370150038 /nfs/dbraw/zinc/15/00/38/370150038.db2.gz PYYGUBAVYYDNIW-DGCLKSJQSA-N 2 1 284.806 3.394 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000109347864 370362136 /nfs/dbraw/zinc/36/21/36/370362136.db2.gz ROYQCRLAFZGGLD-AWEZNQCLSA-N 2 1 278.399 3.298 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000109786739 370366438 /nfs/dbraw/zinc/36/64/38/370366438.db2.gz SUJOBXBMFGNENA-UHFFFAOYSA-N 2 1 294.414 3.011 20 0 CGADMP Cc1cccc(OCC[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000514005141 245103320 /nfs/dbraw/zinc/10/33/20/245103320.db2.gz BZUVGVBOBWUNLW-UHFFFAOYSA-N 2 1 290.451 3.178 20 0 CGADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000130200803 371016192 /nfs/dbraw/zinc/01/61/92/371016192.db2.gz CDJVXZPVANQRIP-RWMBFGLXSA-N 2 1 280.362 3.242 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130560638 371043032 /nfs/dbraw/zinc/04/30/32/371043032.db2.gz KJSXBCAFCRXKFJ-VYDXJSESSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130560638 371043038 /nfs/dbraw/zinc/04/30/38/371043038.db2.gz KJSXBCAFCRXKFJ-VYDXJSESSA-N 2 1 260.425 3.437 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[NH+](CC)CC)CCC2 ZINC000131432648 371107926 /nfs/dbraw/zinc/10/79/26/371107926.db2.gz KDRCGXDPXSZKMD-ZDUSSCGKSA-N 2 1 295.496 3.404 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131757717 371128256 /nfs/dbraw/zinc/12/82/56/371128256.db2.gz MWXJWOKGMVFBMO-VWYCJHECSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131757717 371128264 /nfs/dbraw/zinc/12/82/64/371128264.db2.gz MWXJWOKGMVFBMO-VWYCJHECSA-N 2 1 270.779 3.209 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000337302272 376203187 /nfs/dbraw/zinc/20/31/87/376203187.db2.gz PHQOLIXSIRNVCI-AWEZNQCLSA-N 2 1 261.413 3.028 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000134168330 371309219 /nfs/dbraw/zinc/30/92/19/371309219.db2.gz XXLPEKJNHWKOJC-UHFFFAOYSA-N 2 1 290.451 3.336 20 0 CGADMP c1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939316 371378676 /nfs/dbraw/zinc/37/86/76/371378676.db2.gz PYEHADGAQRZTLI-IEBWSBKVSA-N 2 1 284.447 3.178 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939316 371378681 /nfs/dbraw/zinc/37/86/81/371378681.db2.gz PYEHADGAQRZTLI-IEBWSBKVSA-N 2 1 284.447 3.178 20 0 CGADMP c1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134939316 371378686 /nfs/dbraw/zinc/37/86/86/371378686.db2.gz PYEHADGAQRZTLI-IEBWSBKVSA-N 2 1 284.447 3.178 20 0 CGADMP c1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134939316 371378688 /nfs/dbraw/zinc/37/86/88/371378688.db2.gz PYEHADGAQRZTLI-IEBWSBKVSA-N 2 1 284.447 3.178 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000344031660 217017255 /nfs/dbraw/zinc/01/72/55/217017255.db2.gz HFWHQXISVWDFNJ-UGSOOPFHSA-N 2 1 288.410 3.277 20 0 CGADMP c1ccc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150790239 371539409 /nfs/dbraw/zinc/53/94/09/371539409.db2.gz OJYSHHIYOONHKG-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000336802569 213660147 /nfs/dbraw/zinc/66/01/47/213660147.db2.gz VCJUJVHYUXEFQN-UHFFFAOYSA-N 2 1 281.469 3.005 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCC2CCCC2)CC[N@H+]1C ZINC000151596519 371615628 /nfs/dbraw/zinc/61/56/28/371615628.db2.gz KZRRSWKTRCGGDO-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC000151126387 371571508 /nfs/dbraw/zinc/57/15/08/371571508.db2.gz BAEDUZSEQOJLHP-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC)cc2)C1 ZINC000151139437 371576892 /nfs/dbraw/zinc/57/68/92/371576892.db2.gz JDNJSZLEVIXGJL-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CSc1cccc(F)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287416924 371653154 /nfs/dbraw/zinc/65/31/54/371653154.db2.gz JWJAHJQZGCLJCD-CHWSQXEVSA-N 2 1 294.439 3.264 20 0 CGADMP CC(C)OC[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000337347642 214021755 /nfs/dbraw/zinc/02/17/55/214021755.db2.gz XUZBRTWZFVZVEW-HNNXBMFYSA-N 2 1 270.461 3.044 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(C2CC2)c1 ZINC000422550209 371747275 /nfs/dbraw/zinc/74/72/75/371747275.db2.gz ANQNEMLKFAPRAY-SFHVURJKSA-N 2 1 270.420 3.140 20 0 CGADMP c1ccc2c(c1)cccc2OCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422626253 371755416 /nfs/dbraw/zinc/75/54/16/371755416.db2.gz DNTGEIXKZJQVKV-UHFFFAOYSA-N 2 1 296.414 3.047 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422711668 371763463 /nfs/dbraw/zinc/76/34/63/371763463.db2.gz NGIOIUGFXSLIMY-CQSZACIVSA-N 2 1 283.419 3.431 20 0 CGADMP COc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422764402 371792471 /nfs/dbraw/zinc/79/24/71/371792471.db2.gz OLTLZUUOABVAGV-IBGZPJMESA-N 2 1 296.414 3.126 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000422726376 371770904 /nfs/dbraw/zinc/77/09/04/371770904.db2.gz DSWXHXYCYSUZAR-UONOGXRCSA-N 2 1 252.789 3.090 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422735782 371774792 /nfs/dbraw/zinc/77/47/92/371774792.db2.gz WPNXUSANVQEUJA-MJGOQNOKSA-N 2 1 296.414 3.278 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422736558 371774809 /nfs/dbraw/zinc/77/48/09/371774809.db2.gz GNYYGPGUOVOHTG-MSOLQXFVSA-N 2 1 296.414 3.498 20 0 CGADMP CC[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CCC[NH2+]1 ZINC000422736526 371774921 /nfs/dbraw/zinc/77/49/21/371774921.db2.gz GLDSEMLBLBKBDL-OLZOCXBDSA-N 2 1 295.496 3.103 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCC2CCCCC2)CC[N@H+]1C ZINC000153534685 371775500 /nfs/dbraw/zinc/77/55/00/371775500.db2.gz XROACDLEWUSTRO-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422802221 371819350 /nfs/dbraw/zinc/81/93/50/371819350.db2.gz CZKSSWGDNWOGIK-KBPBESRZSA-N 2 1 282.428 3.297 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000422806561 371822460 /nfs/dbraw/zinc/82/24/60/371822460.db2.gz NQFFEWHGLBZXOL-DZGCQCFKSA-N 2 1 281.403 3.265 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1(C)C ZINC000422816673 371827726 /nfs/dbraw/zinc/82/77/26/371827726.db2.gz FRCHEKCAPWTRLD-VBNZEHGJSA-N 2 1 291.439 3.129 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422877998 371850269 /nfs/dbraw/zinc/85/02/69/371850269.db2.gz INCRUODSUGBKGU-RBUKOAKNSA-N 2 1 296.414 3.235 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3occc3c2)CC1 ZINC000289929572 371854825 /nfs/dbraw/zinc/85/48/25/371854825.db2.gz YXCKCYDXSNSIJR-INIZCTEOSA-N 2 1 272.392 3.349 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC000289929572 371854835 /nfs/dbraw/zinc/85/48/35/371854835.db2.gz YXCKCYDXSNSIJR-INIZCTEOSA-N 2 1 272.392 3.349 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422896434 371860078 /nfs/dbraw/zinc/86/00/78/371860078.db2.gz ABIHHOLQCJBLRO-CQSZACIVSA-N 2 1 281.403 3.185 20 0 CGADMP C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422900311 371861747 /nfs/dbraw/zinc/86/17/47/371861747.db2.gz AMVQYPRCZSUFDB-DZGCQCFKSA-N 2 1 276.449 3.041 20 0 CGADMP CCc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000422854456 371840374 /nfs/dbraw/zinc/84/03/74/371840374.db2.gz CUTFDMNFVHHMCD-SUMWQHHRSA-N 2 1 288.460 3.359 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CC3(C)C)sc2C1 ZINC000344101508 217049911 /nfs/dbraw/zinc/04/99/11/217049911.db2.gz FCWOTMDKTCQMHD-GFCCVEGCSA-N 2 1 293.480 3.045 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CC3(C)C)sc2C1 ZINC000344101508 217049914 /nfs/dbraw/zinc/04/99/14/217049914.db2.gz FCWOTMDKTCQMHD-GFCCVEGCSA-N 2 1 293.480 3.045 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423066446 371943495 /nfs/dbraw/zinc/94/34/95/371943495.db2.gz DPCJKWFUXDQGLA-OAGGEKHMSA-N 2 1 274.408 3.068 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCCc2ccccc21)c1c[nH+]ccc1N ZINC000423014180 371916228 /nfs/dbraw/zinc/91/62/28/371916228.db2.gz HPAGDXUWWYQPTK-AUUYWEPGSA-N 2 1 295.430 3.439 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCCc1cnccc1C ZINC000290195344 371929048 /nfs/dbraw/zinc/92/90/48/371929048.db2.gz PDAOARACWVKZDF-INIZCTEOSA-N 2 1 277.456 3.033 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCCc1cnccc1C ZINC000290195344 371929056 /nfs/dbraw/zinc/92/90/56/371929056.db2.gz PDAOARACWVKZDF-INIZCTEOSA-N 2 1 277.456 3.033 20 0 CGADMP C[C@H](CCC[NH3+])Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423042821 371929629 /nfs/dbraw/zinc/92/96/29/371929629.db2.gz MEYVJHGEKUHMOW-GFCCVEGCSA-N 2 1 288.439 3.410 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423046320 371931767 /nfs/dbraw/zinc/93/17/67/371931767.db2.gz UABKKEOYYCKDAZ-XWIAVFTESA-N 2 1 288.410 3.349 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423093603 371959151 /nfs/dbraw/zinc/95/91/51/371959151.db2.gz IEBVOTACVZZPSQ-WBOJAVRRSA-N 2 1 276.399 3.049 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423102561 371966102 /nfs/dbraw/zinc/96/61/02/371966102.db2.gz XBECHPDLMGHZTL-KSZLIROESA-N 2 1 293.499 3.033 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290342329 371967270 /nfs/dbraw/zinc/96/72/70/371967270.db2.gz FMBJLYPOAMQSKK-NVXWUHKLSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290342329 371967275 /nfs/dbraw/zinc/96/72/75/371967275.db2.gz FMBJLYPOAMQSKK-NVXWUHKLSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290342329 371967279 /nfs/dbraw/zinc/96/72/79/371967279.db2.gz FMBJLYPOAMQSKK-NVXWUHKLSA-N 2 1 290.476 3.325 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000156325576 371974868 /nfs/dbraw/zinc/97/48/68/371974868.db2.gz ZRLWUBKEVICFMS-SFHVURJKSA-N 2 1 282.387 3.086 20 0 CGADMP COc1cc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000423139612 371987093 /nfs/dbraw/zinc/98/70/93/371987093.db2.gz VWPOZFPYRDCXDC-IUODEOHRSA-N 2 1 296.842 3.011 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146081 371990943 /nfs/dbraw/zinc/99/09/43/371990943.db2.gz NXULMFRTXMBMDG-QCQGSNGOSA-N 2 1 278.827 3.174 20 0 CGADMP Cc1csc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423159310 371995975 /nfs/dbraw/zinc/99/59/75/371995975.db2.gz XVAJXUDCWKZJKW-BBRMVZONSA-N 2 1 274.433 3.105 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000290553793 372016173 /nfs/dbraw/zinc/01/61/73/372016173.db2.gz RYPIMJGWMVLCRV-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000290553793 372016178 /nfs/dbraw/zinc/01/61/78/372016178.db2.gz RYPIMJGWMVLCRV-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423208078 372030932 /nfs/dbraw/zinc/03/09/32/372030932.db2.gz YRIHNVKEVIJOOV-GFCCVEGCSA-N 2 1 282.453 3.459 20 0 CGADMP Cc1cc([C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CC2)ccc1F ZINC000423266152 372044153 /nfs/dbraw/zinc/04/41/53/372044153.db2.gz DFIRTUUQIFWZFY-HZPDHXFCSA-N 2 1 264.388 3.158 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CCCCC1 ZINC000423267501 372045481 /nfs/dbraw/zinc/04/54/81/372045481.db2.gz TUVFDNCBJHVNOR-DLBZAZTESA-N 2 1 276.399 3.310 20 0 CGADMP [NH3+]CC[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000423180910 372008693 /nfs/dbraw/zinc/00/86/93/372008693.db2.gz KTNAZICUNOGJQF-SFHVURJKSA-N 2 1 268.404 3.299 20 0 CGADMP CC(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423180719 372009068 /nfs/dbraw/zinc/00/90/68/372009068.db2.gz IOWRFGPKWDGHCH-OAHLLOKOSA-N 2 1 268.351 3.004 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000344186698 217091363 /nfs/dbraw/zinc/09/13/63/217091363.db2.gz MUTXLECAPSTJKX-LSDHHAIUSA-N 2 1 294.414 3.187 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCc2ccccc2CC1)C1CCCC1 ZINC000423497868 372070543 /nfs/dbraw/zinc/07/05/43/372070543.db2.gz HNBXQSGLCDNVIT-SFHVURJKSA-N 2 1 272.436 3.041 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289152 372081715 /nfs/dbraw/zinc/08/17/15/372081715.db2.gz LTQQTLQCUVASDG-GJZGRUSLSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000291289921 372155343 /nfs/dbraw/zinc/15/53/43/372155343.db2.gz RSSUEZVZKRLSPV-RHSMWYFYSA-N 2 1 288.435 3.091 20 0 CGADMP C(C[NH+]1CC[C@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528253 372162721 /nfs/dbraw/zinc/16/27/21/372162721.db2.gz YRQNEQHJTKINNI-YVSFHVDLSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528253 372162731 /nfs/dbraw/zinc/16/27/31/372162731.db2.gz YRQNEQHJTKINNI-YVSFHVDLSA-N 2 1 262.441 3.125 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCN(C/C=C/c3ccccc3)C2)C1 ZINC000292940821 372254806 /nfs/dbraw/zinc/25/48/06/372254806.db2.gz JVZAZOCFZZTCTL-QKYXPGDISA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C/c3ccccc3)C2)C1 ZINC000292940821 372254829 /nfs/dbraw/zinc/25/48/29/372254829.db2.gz JVZAZOCFZZTCTL-QKYXPGDISA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C/c3ccccc3)C2)C1 ZINC000292940821 372254833 /nfs/dbraw/zinc/25/48/33/372254833.db2.gz JVZAZOCFZZTCTL-QKYXPGDISA-N 2 1 270.420 3.118 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000344312680 217144953 /nfs/dbraw/zinc/14/49/53/217144953.db2.gz XJBWELDKHSIDFU-ZDUSSCGKSA-N 2 1 270.376 3.345 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4ccccc43)C2)C1 ZINC000428998693 372301943 /nfs/dbraw/zinc/30/19/43/372301943.db2.gz DEYHPLIIQCRRHD-LJQANCHMSA-N 2 1 280.415 3.367 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc4ccccc43)C2)C1 ZINC000428998693 372301945 /nfs/dbraw/zinc/30/19/45/372301945.db2.gz DEYHPLIIQCRRHD-LJQANCHMSA-N 2 1 280.415 3.367 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc4ccccc43)C2)C1 ZINC000428998693 372301949 /nfs/dbraw/zinc/30/19/49/372301949.db2.gz DEYHPLIIQCRRHD-LJQANCHMSA-N 2 1 280.415 3.367 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017180 372305463 /nfs/dbraw/zinc/30/54/63/372305463.db2.gz DTLAWBRJOGWURC-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017180 372305467 /nfs/dbraw/zinc/30/54/67/372305467.db2.gz DTLAWBRJOGWURC-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017180 372305471 /nfs/dbraw/zinc/30/54/71/372305471.db2.gz DTLAWBRJOGWURC-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC000161728026 372349532 /nfs/dbraw/zinc/34/95/32/372349532.db2.gz NQGQLRKEZLNAJT-CZUORRHYSA-N 2 1 280.843 3.468 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000162119901 372374492 /nfs/dbraw/zinc/37/44/92/372374492.db2.gz LZFGAPQZXQKWAJ-VYDXJSESSA-N 2 1 260.425 3.028 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000162695885 372412542 /nfs/dbraw/zinc/41/25/42/372412542.db2.gz DKOJVAVBHKFDGT-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)oc21 ZINC000293363673 372365556 /nfs/dbraw/zinc/36/55/56/372365556.db2.gz HMKQCLLMPFBJEF-CHWSQXEVSA-N 2 1 290.407 3.290 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000163210276 372454033 /nfs/dbraw/zinc/45/40/33/372454033.db2.gz YDSJIIMIPHHDOF-QGZVFWFLSA-N 2 1 286.423 3.147 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000163210276 372454038 /nfs/dbraw/zinc/45/40/38/372454038.db2.gz YDSJIIMIPHHDOF-QGZVFWFLSA-N 2 1 286.423 3.147 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000163236458 372454784 /nfs/dbraw/zinc/45/47/84/372454784.db2.gz VNCWDFLDILZKSW-NVXWUHKLSA-N 2 1 288.435 3.140 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000163241240 372456286 /nfs/dbraw/zinc/45/62/86/372456286.db2.gz JNIJAUBXWJEHSZ-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1C=CCCCCC1 ZINC000293902584 372517633 /nfs/dbraw/zinc/51/76/33/372517633.db2.gz WGQPFKIVVXLFHW-INIZCTEOSA-N 2 1 261.413 3.402 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1C=CCCCCC1 ZINC000293902584 372517641 /nfs/dbraw/zinc/51/76/41/372517641.db2.gz WGQPFKIVVXLFHW-INIZCTEOSA-N 2 1 261.413 3.402 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccccc1F ZINC000164581666 372523847 /nfs/dbraw/zinc/52/38/47/372523847.db2.gz NTGVCKFSTGLALN-CYBMUJFWSA-N 2 1 275.371 3.462 20 0 CGADMP Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(C)C)c1 ZINC000167689323 372600285 /nfs/dbraw/zinc/60/02/85/372600285.db2.gz VSVLXNWVRBXRQD-WBVHZDCISA-N 2 1 290.451 3.355 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c(OC(C)C)c1 ZINC000167689323 372600294 /nfs/dbraw/zinc/60/02/94/372600294.db2.gz VSVLXNWVRBXRQD-WBVHZDCISA-N 2 1 290.451 3.355 20 0 CGADMP CCCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432347617 372563564 /nfs/dbraw/zinc/56/35/64/372563564.db2.gz NTWZAHWMLWBNMA-AOCRQIFASA-N 2 1 296.499 3.436 20 0 CGADMP CCCC1CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432347617 372563569 /nfs/dbraw/zinc/56/35/69/372563569.db2.gz NTWZAHWMLWBNMA-AOCRQIFASA-N 2 1 296.499 3.436 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166458915 372574913 /nfs/dbraw/zinc/57/49/13/372574913.db2.gz JRBBCTHWIGTMSZ-JKSUJKDBSA-N 2 1 297.446 3.235 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515548 372577200 /nfs/dbraw/zinc/57/72/00/372577200.db2.gz MIMADFPLIBCCIL-DYVFJYSZSA-N 2 1 276.399 3.351 20 0 CGADMP CCC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCCC1 ZINC000168314862 372609547 /nfs/dbraw/zinc/60/95/47/372609547.db2.gz YFBNGVFLWABYQE-QGZVFWFLSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(C)s1 ZINC000170987387 372697282 /nfs/dbraw/zinc/69/72/82/372697282.db2.gz SNOSAQROKJWDEJ-UHFFFAOYSA-N 2 1 266.454 3.327 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@@H](C)C3)CCCC2)CC1 ZINC000344522922 217220403 /nfs/dbraw/zinc/22/04/03/217220403.db2.gz LIUVVHUDFFGRKC-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000353380858 220053596 /nfs/dbraw/zinc/05/35/96/220053596.db2.gz CIPHLQKQAMAXBR-ZDUSSCGKSA-N 2 1 280.375 3.091 20 0 CGADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC([NH3+])CC1 ZINC000435386047 372755229 /nfs/dbraw/zinc/75/52/29/372755229.db2.gz SECIILDSJOBSGW-UHFFFAOYSA-N 2 1 296.414 3.285 20 0 CGADMP CCCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435619985 372786234 /nfs/dbraw/zinc/78/62/34/372786234.db2.gz YFJAOWUBXNDELL-QGZVFWFLSA-N 2 1 275.440 3.216 20 0 CGADMP CC[N@@H+](CCC[NH2+]C)[C@@H](C)c1cc2ccccc2o1 ZINC000435882125 372823531 /nfs/dbraw/zinc/82/35/31/372823531.db2.gz SAXPYBZWOAGNIH-ZDUSSCGKSA-N 2 1 260.381 3.425 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000438085029 372872296 /nfs/dbraw/zinc/87/22/96/372872296.db2.gz LYLOXEJMKIQZKX-BZUAXINKSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000438085029 372872302 /nfs/dbraw/zinc/87/23/02/372872302.db2.gz LYLOXEJMKIQZKX-BZUAXINKSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000438114198 372888034 /nfs/dbraw/zinc/88/80/34/372888034.db2.gz DJJBLBFDAKANBC-HZPDHXFCSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102302 372880627 /nfs/dbraw/zinc/88/06/27/372880627.db2.gz DJHFQBXTCTUHBC-CKEIUWERSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102302 372880630 /nfs/dbraw/zinc/88/06/30/372880630.db2.gz DJHFQBXTCTUHBC-CKEIUWERSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102302 372880632 /nfs/dbraw/zinc/88/06/32/372880632.db2.gz DJHFQBXTCTUHBC-CKEIUWERSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102302 372880637 /nfs/dbraw/zinc/88/06/37/372880637.db2.gz DJHFQBXTCTUHBC-CKEIUWERSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102302 372880642 /nfs/dbraw/zinc/88/06/42/372880642.db2.gz DJHFQBXTCTUHBC-CKEIUWERSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1cnccc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000295810559 372920513 /nfs/dbraw/zinc/92/05/13/372920513.db2.gz UAGKYIRVHRCTSA-QGZVFWFLSA-N 2 1 297.446 3.390 20 0 CGADMP Cc1cnccc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295810559 372920518 /nfs/dbraw/zinc/92/05/18/372920518.db2.gz UAGKYIRVHRCTSA-QGZVFWFLSA-N 2 1 297.446 3.390 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172652131 373004120 /nfs/dbraw/zinc/00/41/20/373004120.db2.gz WTAYKEAVRQEPTA-IEBWSBKVSA-N 2 1 286.463 3.425 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)[C@H](C)C1 ZINC000442785284 373082987 /nfs/dbraw/zinc/08/29/87/373082987.db2.gz RMRRJGYVUWUITA-RYSNWHEDSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000296389439 373115772 /nfs/dbraw/zinc/11/57/72/373115772.db2.gz KZJIATGGAPVRMF-GFCCVEGCSA-N 2 1 293.361 3.253 20 0 CGADMP C[C@H]1CCC[C@H](CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442754228 373072902 /nfs/dbraw/zinc/07/29/02/373072902.db2.gz HVCSHRMPYUFZHM-HCMIALLCSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc2cccnc12 ZINC000442916950 373128561 /nfs/dbraw/zinc/12/85/61/373128561.db2.gz BDGIATNXDONOPM-OAHLLOKOSA-N 2 1 283.419 3.104 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)ccc1F ZINC000444739413 373256217 /nfs/dbraw/zinc/25/62/17/373256217.db2.gz AIHVGKAZIOAGND-OAHLLOKOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)ccc1F ZINC000444739413 373256221 /nfs/dbraw/zinc/25/62/21/373256221.db2.gz AIHVGKAZIOAGND-OAHLLOKOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)ccc1F ZINC000444739413 373256223 /nfs/dbraw/zinc/25/62/23/373256223.db2.gz AIHVGKAZIOAGND-OAHLLOKOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)ccc1F ZINC000444739413 373256225 /nfs/dbraw/zinc/25/62/25/373256225.db2.gz AIHVGKAZIOAGND-OAHLLOKOSA-N 2 1 264.388 3.050 20 0 CGADMP CC(C)C[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000445414663 373311307 /nfs/dbraw/zinc/31/13/07/373311307.db2.gz YYVRGRVYZFHSBA-GDBMZVCRSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000445414663 373311315 /nfs/dbraw/zinc/31/13/15/373311315.db2.gz YYVRGRVYZFHSBA-GDBMZVCRSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000445414663 373311323 /nfs/dbraw/zinc/31/13/23/373311323.db2.gz YYVRGRVYZFHSBA-GDBMZVCRSA-N 2 1 252.446 3.085 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000174628429 373346701 /nfs/dbraw/zinc/34/67/01/373346701.db2.gz IWDNXDAKKLDOOX-IUODEOHRSA-N 2 1 266.816 3.160 20 0 CGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000299355127 373516667 /nfs/dbraw/zinc/51/66/67/373516667.db2.gz SSDACMUWVANUSJ-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000300408897 373627171 /nfs/dbraw/zinc/62/71/71/373627171.db2.gz QPDUVYDPWUCDEY-CVEARBPZSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000300412209 373629565 /nfs/dbraw/zinc/62/95/65/373629565.db2.gz RYJASKXOXVYWSC-CVEARBPZSA-N 2 1 292.467 3.336 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000300412209 373629568 /nfs/dbraw/zinc/62/95/68/373629568.db2.gz RYJASKXOXVYWSC-CVEARBPZSA-N 2 1 292.467 3.336 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000177796051 373712363 /nfs/dbraw/zinc/71/23/63/373712363.db2.gz JOKAKBASPZHZOF-KDOFPFPSSA-N 2 1 288.410 3.231 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000177796051 373712367 /nfs/dbraw/zinc/71/23/67/373712367.db2.gz JOKAKBASPZHZOF-KDOFPFPSSA-N 2 1 288.410 3.231 20 0 CGADMP COCC1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000449084381 373661136 /nfs/dbraw/zinc/66/11/36/373661136.db2.gz XMLCZPZRYCNECL-OQSMONGASA-N 2 1 296.499 3.149 20 0 CGADMP COCC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000449085599 373661987 /nfs/dbraw/zinc/66/19/87/373661987.db2.gz OOVTUAUIJJQAKJ-CPFNUKBASA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CC2)c1 ZINC000177261004 373669775 /nfs/dbraw/zinc/66/97/75/373669775.db2.gz FSXSRZUXUHIJQQ-CQSZACIVSA-N 2 1 260.425 3.415 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374152 373679384 /nfs/dbraw/zinc/67/93/84/373679384.db2.gz KOSQRKMZNKXNTB-PMPSAXMXSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374152 373679390 /nfs/dbraw/zinc/67/93/90/373679390.db2.gz KOSQRKMZNKXNTB-PMPSAXMXSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000449301170 373679533 /nfs/dbraw/zinc/67/95/33/373679533.db2.gz REBNGKKEBBBMBA-BMFZPTHFSA-N 2 1 282.497 3.125 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000449301170 373679542 /nfs/dbraw/zinc/67/95/42/373679542.db2.gz REBNGKKEBBBMBA-BMFZPTHFSA-N 2 1 282.497 3.125 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCC1 ZINC000177724219 373704305 /nfs/dbraw/zinc/70/43/05/373704305.db2.gz JTXNSJAVNAVFKT-HNNXBMFYSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCC1 ZINC000177724219 373704312 /nfs/dbraw/zinc/70/43/12/373704312.db2.gz JTXNSJAVNAVFKT-HNNXBMFYSA-N 2 1 272.436 3.213 20 0 CGADMP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(C)n1)c1ccco1 ZINC000301245615 373708296 /nfs/dbraw/zinc/70/82/96/373708296.db2.gz NWDBQEYHBXALMA-CQSZACIVSA-N 2 1 288.395 3.181 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000177978418 373732394 /nfs/dbraw/zinc/73/23/94/373732394.db2.gz RUOKJJINIRUYSB-IAGOWNOFSA-N 2 1 284.488 3.148 20 0 CGADMP CC/C=C/C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449451863 373735013 /nfs/dbraw/zinc/73/50/13/373735013.db2.gz DQSICBUBBVPWMU-DHWGOORTSA-N 2 1 272.436 3.453 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000178413148 373774943 /nfs/dbraw/zinc/77/49/43/373774943.db2.gz MEHSQFVKNMWMNU-ZDUSSCGKSA-N 2 1 293.480 3.158 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000179191904 373844398 /nfs/dbraw/zinc/84/43/98/373844398.db2.gz OBMKDKUFCSAJDB-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP C[NH+](CCCCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000179191904 373844406 /nfs/dbraw/zinc/84/44/06/373844406.db2.gz OBMKDKUFCSAJDB-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000180230978 373981144 /nfs/dbraw/zinc/98/11/44/373981144.db2.gz XOGCLEFYMDNVGR-AEFFLSMTSA-N 2 1 274.452 3.454 20 0 CGADMP C[N@H+](C[C@H]1CCCCC1(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000450430499 374123976 /nfs/dbraw/zinc/12/39/76/374123976.db2.gz SELKPGHPLPQVIB-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@H]1CCCCC1(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000450430499 374123983 /nfs/dbraw/zinc/12/39/83/374123983.db2.gz SELKPGHPLPQVIB-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@H]1CCCCC1(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000450430499 374123991 /nfs/dbraw/zinc/12/39/91/374123991.db2.gz SELKPGHPLPQVIB-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309984215 374206543 /nfs/dbraw/zinc/20/65/43/374206543.db2.gz WPPZCOQZPSVJMZ-QZTJIDSGSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309984215 374206548 /nfs/dbraw/zinc/20/65/48/374206548.db2.gz WPPZCOQZPSVJMZ-QZTJIDSGSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309984215 374206554 /nfs/dbraw/zinc/20/65/54/374206554.db2.gz WPPZCOQZPSVJMZ-QZTJIDSGSA-N 2 1 272.436 3.240 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181906823 374189616 /nfs/dbraw/zinc/18/96/16/374189616.db2.gz ZEDQGTMSIZJRCE-MRXNPFEDSA-N 2 1 294.414 3.361 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC12CCOCC2)C(C)C ZINC000312248777 374274146 /nfs/dbraw/zinc/27/41/46/374274146.db2.gz JUCNMGBIYFEWBJ-MRXNPFEDSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H](F)CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452122599 374242400 /nfs/dbraw/zinc/24/24/00/374242400.db2.gz VDSWBGPOHYTMBJ-LLVKDONJSA-N 2 1 284.341 3.083 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1cnc2ccsc2c1)C[NH+](C)C ZINC000311561987 374247825 /nfs/dbraw/zinc/24/78/25/374247825.db2.gz SEMIOTGOVAZURN-VXGBXAGGSA-N 2 1 277.437 3.145 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000313096426 374299219 /nfs/dbraw/zinc/29/92/19/374299219.db2.gz DPKWJKVFUJTIKQ-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000314009638 374311480 /nfs/dbraw/zinc/31/14/80/374311480.db2.gz NKICYOADTIMDNQ-AWEZNQCLSA-N 2 1 286.419 3.136 20 0 CGADMP COc1cc(F)cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000312515324 374281399 /nfs/dbraw/zinc/28/13/99/374281399.db2.gz KPMUQAZIPKYASO-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cc(Cl)sc1Cl ZINC000312602927 374284790 /nfs/dbraw/zinc/28/47/90/374284790.db2.gz NNDIEEJZIRYBDX-PSASIEDQSA-N 2 1 293.263 3.485 20 0 CGADMP CCC1([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000453299597 374401185 /nfs/dbraw/zinc/40/11/85/374401185.db2.gz UYVNUDMBJCWJDM-OKZBNKHCSA-N 2 1 284.447 3.429 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(OC)c1 ZINC000453344926 374434984 /nfs/dbraw/zinc/43/49/84/374434984.db2.gz JKFOOSDDWQNSRZ-YCXXCVGLSA-N 2 1 288.435 3.361 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC000084946727 541934682 /nfs/dbraw/zinc/93/46/82/541934682.db2.gz VQDAUOZXEVXCNC-UHFFFAOYSA-N 2 1 276.424 3.048 20 0 CGADMP Fc1ccc(CC2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453345438 374437212 /nfs/dbraw/zinc/43/72/12/374437212.db2.gz JZTBCGZVUBHAQC-IRXDYDNUSA-N 2 1 288.410 3.117 20 0 CGADMP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000453361257 374450200 /nfs/dbraw/zinc/45/02/00/374450200.db2.gz QTHKGWZMYLNRHK-KBAYOESNSA-N 2 1 290.426 3.139 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453368287 374453854 /nfs/dbraw/zinc/45/38/54/374453854.db2.gz UUPXPXVDWXHHBE-IPQPSQTFSA-N 2 1 286.463 3.469 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000453376053 374462016 /nfs/dbraw/zinc/46/20/16/374462016.db2.gz PJXLVXJKHLPGCT-MXASKKJJSA-N 2 1 288.435 3.014 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000453376053 374462028 /nfs/dbraw/zinc/46/20/28/374462028.db2.gz PJXLVXJKHLPGCT-MXASKKJJSA-N 2 1 288.435 3.014 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000453402713 374473026 /nfs/dbraw/zinc/47/30/26/374473026.db2.gz AKUSXNGGAAOSQA-UHDSXZAQSA-N 2 1 264.457 3.274 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000090408303 541960713 /nfs/dbraw/zinc/96/07/13/541960713.db2.gz VQZDKAWCFCFQFL-TZMCWYRMSA-N 2 1 281.469 3.223 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000090408303 541960716 /nfs/dbraw/zinc/96/07/16/541960716.db2.gz VQZDKAWCFCFQFL-TZMCWYRMSA-N 2 1 281.469 3.223 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000090586943 541962392 /nfs/dbraw/zinc/96/23/92/541962392.db2.gz JZOPYUZQNAHVIL-ZFWWWQNUSA-N 2 1 295.496 3.470 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000090586943 541962394 /nfs/dbraw/zinc/96/23/94/541962394.db2.gz JZOPYUZQNAHVIL-ZFWWWQNUSA-N 2 1 295.496 3.470 20 0 CGADMP Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250754027 189968113 /nfs/dbraw/zinc/96/81/13/189968113.db2.gz MESJPUDYDLQLHB-USXIJHARSA-N 2 1 294.389 3.365 20 0 CGADMP CSCC1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459792513 374821653 /nfs/dbraw/zinc/82/16/53/374821653.db2.gz SEPDSMMPENQMCW-QQFBHYJXSA-N 2 1 284.513 3.230 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000464789971 374902503 /nfs/dbraw/zinc/90/25/03/374902503.db2.gz HWUNXXPHLJQDOU-SFHVURJKSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000464789971 374902509 /nfs/dbraw/zinc/90/25/09/374902509.db2.gz HWUNXXPHLJQDOU-SFHVURJKSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccc(CC[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000464789971 374902514 /nfs/dbraw/zinc/90/25/14/374902514.db2.gz HWUNXXPHLJQDOU-SFHVURJKSA-N 2 1 274.452 3.065 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528217 541987476 /nfs/dbraw/zinc/98/74/76/541987476.db2.gz GWAGZXQAVXMWGB-GUYCJALGSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528217 541987479 /nfs/dbraw/zinc/98/74/79/541987479.db2.gz GWAGZXQAVXMWGB-GUYCJALGSA-N 2 1 258.409 3.266 20 0 CGADMP Cc1cc2[nH]c(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000334699841 374985718 /nfs/dbraw/zinc/98/57/18/374985718.db2.gz LKRNHBCFYAFKBG-GJZGRUSLSA-N 2 1 285.435 3.357 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475125615 375130077 /nfs/dbraw/zinc/13/00/77/375130077.db2.gz UMXKYOFVMWGRPW-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000335149709 375176221 /nfs/dbraw/zinc/17/62/21/375176221.db2.gz VLKQKYCVFAKOCY-DZGCQCFKSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000335149709 375176224 /nfs/dbraw/zinc/17/62/24/375176224.db2.gz VLKQKYCVFAKOCY-DZGCQCFKSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000335149709 375176227 /nfs/dbraw/zinc/17/62/27/375176227.db2.gz VLKQKYCVFAKOCY-DZGCQCFKSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000335149709 375176231 /nfs/dbraw/zinc/17/62/31/375176231.db2.gz VLKQKYCVFAKOCY-DZGCQCFKSA-N 2 1 293.480 3.183 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@H]3CC3(C)C)CC2)[nH+]1 ZINC000487267723 375215136 /nfs/dbraw/zinc/21/51/36/375215136.db2.gz BVYUWEBUTOCASE-GOEBONIOSA-N 2 1 287.451 3.383 20 0 CGADMP C([NH2+]C[C@@H]1CCSC1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000487318404 375227902 /nfs/dbraw/zinc/22/79/02/375227902.db2.gz HVQRMHNBXIVUFE-DLBZAZTESA-N 2 1 296.524 3.374 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc2cccnc12 ZINC000335699128 375356411 /nfs/dbraw/zinc/35/64/11/375356411.db2.gz COGWCEAGGHRKTO-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc2cccnc12 ZINC000335699128 375356419 /nfs/dbraw/zinc/35/64/19/375356419.db2.gz COGWCEAGGHRKTO-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@H](C)C1 ZINC000189367351 375377523 /nfs/dbraw/zinc/37/75/23/375377523.db2.gz BPWRIXQIIWJVKN-HYVNUMGLSA-N 2 1 288.435 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@H](C)C1 ZINC000189367351 375377527 /nfs/dbraw/zinc/37/75/27/375377527.db2.gz BPWRIXQIIWJVKN-HYVNUMGLSA-N 2 1 288.435 3.139 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335757349 375404789 /nfs/dbraw/zinc/40/47/89/375404789.db2.gz IRIKNSIHYJTGGC-YOEHRIQHSA-N 2 1 283.419 3.116 20 0 CGADMP Cc1cncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000190020407 375469888 /nfs/dbraw/zinc/46/98/88/375469888.db2.gz KKBUCYZELQEFDT-RDJZCZTQSA-N 2 1 287.451 3.133 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000335805206 375445158 /nfs/dbraw/zinc/44/51/58/375445158.db2.gz QXXXYKIZIAOTCR-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000335805206 375445160 /nfs/dbraw/zinc/44/51/60/375445160.db2.gz QXXXYKIZIAOTCR-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000119251421 542004882 /nfs/dbraw/zinc/00/48/82/542004882.db2.gz FKLDVDBZEOQHSL-KRWDZBQOSA-N 2 1 258.409 3.212 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2conc2CC)CC1 ZINC000507216121 375689175 /nfs/dbraw/zinc/68/91/75/375689175.db2.gz UOAAEBKSQCEQSM-UHFFFAOYSA-N 2 1 293.455 3.181 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000507367276 375698468 /nfs/dbraw/zinc/69/84/68/375698468.db2.gz KQNSRSYBGWCMBI-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000507367276 375698477 /nfs/dbraw/zinc/69/84/77/375698477.db2.gz KQNSRSYBGWCMBI-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000507367276 375698484 /nfs/dbraw/zinc/69/84/84/375698484.db2.gz KQNSRSYBGWCMBI-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000124015348 542029778 /nfs/dbraw/zinc/02/97/78/542029778.db2.gz RAZINHMLOOVMJD-BBRMVZONSA-N 2 1 258.409 3.095 20 0 CGADMP Cc1c[nH+]ccc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000192486637 375756102 /nfs/dbraw/zinc/75/61/02/375756102.db2.gz IHEVBHKAGWKRME-UHFFFAOYSA-N 2 1 281.403 3.250 20 0 CGADMP CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918480 375802852 /nfs/dbraw/zinc/80/28/52/375802852.db2.gz VDHMGTHIOQZQTQ-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918468 375802945 /nfs/dbraw/zinc/80/29/45/375802945.db2.gz VDHMGTHIOQZQTQ-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP Cc1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000192954208 375807851 /nfs/dbraw/zinc/80/78/51/375807851.db2.gz SUAKXOWULVHEKK-QGZVFWFLSA-N 2 1 281.403 3.324 20 0 CGADMP Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000192779145 375787607 /nfs/dbraw/zinc/78/76/07/375787607.db2.gz BZWHVILWJGOOSG-ALOPSCKCSA-N 2 1 272.436 3.327 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000193138945 375832298 /nfs/dbraw/zinc/83/22/98/375832298.db2.gz XJGQWPBOERCENA-GHMZBOCLSA-N 2 1 272.845 3.364 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000336611773 375873139 /nfs/dbraw/zinc/87/31/39/375873139.db2.gz KLKWJQZJFWJSLJ-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000336611773 375873142 /nfs/dbraw/zinc/87/31/42/375873142.db2.gz KLKWJQZJFWJSLJ-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000520675410 375869472 /nfs/dbraw/zinc/86/94/72/375869472.db2.gz RVOOICXPYPPVDC-QAPCUYQASA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000520675410 375869477 /nfs/dbraw/zinc/86/94/77/375869477.db2.gz RVOOICXPYPPVDC-QAPCUYQASA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000520675410 375869480 /nfs/dbraw/zinc/86/94/80/375869480.db2.gz RVOOICXPYPPVDC-QAPCUYQASA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000520675410 375869484 /nfs/dbraw/zinc/86/94/84/375869484.db2.gz RVOOICXPYPPVDC-QAPCUYQASA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000520675410 375869486 /nfs/dbraw/zinc/86/94/86/375869486.db2.gz RVOOICXPYPPVDC-QAPCUYQASA-N 2 1 274.452 3.206 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000336804111 375952290 /nfs/dbraw/zinc/95/22/90/375952290.db2.gz IYWBKKAKAOEEMS-KFWWJZLASA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000336804111 375952301 /nfs/dbraw/zinc/95/23/01/375952301.db2.gz IYWBKKAKAOEEMS-KFWWJZLASA-N 2 1 263.429 3.338 20 0 CGADMP CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000336824471 375981249 /nfs/dbraw/zinc/98/12/49/375981249.db2.gz UVNNZXSLKGUGKL-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000336824471 375981252 /nfs/dbraw/zinc/98/12/52/375981252.db2.gz UVNNZXSLKGUGKL-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000194277380 375978222 /nfs/dbraw/zinc/97/82/22/375978222.db2.gz KAIRKCZXZUMXMP-SFHVURJKSA-N 2 1 288.435 3.309 20 0 CGADMP C[NH+](C)CCC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000336839973 376003457 /nfs/dbraw/zinc/00/34/57/376003457.db2.gz VBCVECJFJMHGCT-UHFFFAOYSA-N 2 1 293.455 3.136 20 0 CGADMP COc1ccc2c(c1)CCC[N@H+](CCCn1ccnc1C)C2 ZINC000534955324 376007905 /nfs/dbraw/zinc/00/79/05/376007905.db2.gz PSPGSNLKVRJVCT-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP COc1ccc2c(c1)CCC[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000534955324 376007909 /nfs/dbraw/zinc/00/79/09/376007909.db2.gz PSPGSNLKVRJVCT-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP COc1ccc2c(c1)CCC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000534955324 376007915 /nfs/dbraw/zinc/00/79/15/376007915.db2.gz PSPGSNLKVRJVCT-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000534956091 376008651 /nfs/dbraw/zinc/00/86/51/376008651.db2.gz RFFFDLYYBUYODS-XIRDDKMYSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000534956091 376008657 /nfs/dbraw/zinc/00/86/57/376008657.db2.gz RFFFDLYYBUYODS-XIRDDKMYSA-N 2 1 275.440 3.482 20 0 CGADMP CCC[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000194537318 376016466 /nfs/dbraw/zinc/01/64/66/376016466.db2.gz KNPQVUVJFTYFTO-KURKYZTESA-N 2 1 272.436 3.064 20 0 CGADMP CCC[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000194537318 376016470 /nfs/dbraw/zinc/01/64/70/376016470.db2.gz KNPQVUVJFTYFTO-KURKYZTESA-N 2 1 272.436 3.064 20 0 CGADMP CCC[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000194537318 376016475 /nfs/dbraw/zinc/01/64/75/376016475.db2.gz KNPQVUVJFTYFTO-KURKYZTESA-N 2 1 272.436 3.064 20 0 CGADMP Cc1nccn1CC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000536561769 376097281 /nfs/dbraw/zinc/09/72/81/376097281.db2.gz QJZJJYULFAPOAH-KRWDZBQOSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000536561769 376097287 /nfs/dbraw/zinc/09/72/87/376097287.db2.gz QJZJJYULFAPOAH-KRWDZBQOSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000536561769 376097295 /nfs/dbraw/zinc/09/72/95/376097295.db2.gz QJZJJYULFAPOAH-KRWDZBQOSA-N 2 1 269.392 3.201 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000195138432 376082664 /nfs/dbraw/zinc/08/26/64/376082664.db2.gz HKMVPPVYJRSNBT-AEFFLSMTSA-N 2 1 295.430 3.254 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000536265480 376084151 /nfs/dbraw/zinc/08/41/51/376084151.db2.gz VSMHDEZWASTIJF-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000536265480 376084156 /nfs/dbraw/zinc/08/41/56/376084156.db2.gz VSMHDEZWASTIJF-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000536265480 376084161 /nfs/dbraw/zinc/08/41/61/376084161.db2.gz VSMHDEZWASTIJF-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000211941278 376137301 /nfs/dbraw/zinc/13/73/01/376137301.db2.gz PHXFELQDCCTBTF-UHFFFAOYSA-N 2 1 272.436 3.487 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c2ccccc12 ZINC000215977379 376155276 /nfs/dbraw/zinc/15/52/76/376155276.db2.gz JSWATYFYSMBKSK-KGLIPLIRSA-N 2 1 284.403 3.018 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337236765 376155353 /nfs/dbraw/zinc/15/53/53/376155353.db2.gz CIZFWTNJPOVIOQ-SOLBZPMBSA-N 2 1 289.467 3.428 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc(C)c1F ZINC000537304703 376160576 /nfs/dbraw/zinc/16/05/76/376160576.db2.gz SUNYLEXGPRMPQL-CQSZACIVSA-N 2 1 276.399 3.355 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)CC[N@@H+]1C ZINC000537965721 376213434 /nfs/dbraw/zinc/21/34/34/376213434.db2.gz AKAXVIOKDXFMCJ-OCCSQVGLSA-N 2 1 278.465 3.199 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)CC[N@H+]1C ZINC000537965721 376213438 /nfs/dbraw/zinc/21/34/38/376213438.db2.gz AKAXVIOKDXFMCJ-OCCSQVGLSA-N 2 1 278.465 3.199 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000538396807 376238310 /nfs/dbraw/zinc/23/83/10/376238310.db2.gz CDMVTKBNNFXUNZ-ZACQAIPSSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000538396807 376238313 /nfs/dbraw/zinc/23/83/13/376238313.db2.gz CDMVTKBNNFXUNZ-ZACQAIPSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292957795 296239942 /nfs/dbraw/zinc/23/99/42/296239942.db2.gz LDUWYNDCOIJKDN-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292957795 296239944 /nfs/dbraw/zinc/23/99/44/296239944.db2.gz LDUWYNDCOIJKDN-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292957795 296239947 /nfs/dbraw/zinc/23/99/47/296239947.db2.gz LDUWYNDCOIJKDN-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292957795 296239949 /nfs/dbraw/zinc/23/99/49/296239949.db2.gz LDUWYNDCOIJKDN-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnc3ccccc23)C1 ZINC000538724184 376261380 /nfs/dbraw/zinc/26/13/80/376261380.db2.gz WSKXELOXRTWWBE-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000538724184 376261384 /nfs/dbraw/zinc/26/13/84/376261384.db2.gz WSKXELOXRTWWBE-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000538724184 376261389 /nfs/dbraw/zinc/26/13/89/376261389.db2.gz WSKXELOXRTWWBE-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP C[N@@H+](CCCn1ccnc1)C[C@@H]1CCCC(F)(F)C1 ZINC000338284898 376315128 /nfs/dbraw/zinc/31/51/28/376315128.db2.gz ZYFBITPAQPAUMC-CYBMUJFWSA-N 2 1 271.355 3.031 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000226333028 376353145 /nfs/dbraw/zinc/35/31/45/376353145.db2.gz AUXLGLIRBRPIIP-SRVKXCTJSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000226333028 376353149 /nfs/dbraw/zinc/35/31/49/376353149.db2.gz AUXLGLIRBRPIIP-SRVKXCTJSA-N 2 1 268.351 3.085 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000539049585 376287431 /nfs/dbraw/zinc/28/74/31/376287431.db2.gz VDKMTQFXBCENMH-MRXNPFEDSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000539049585 376287439 /nfs/dbraw/zinc/28/74/39/376287439.db2.gz VDKMTQFXBCENMH-MRXNPFEDSA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C)C1CC1 ZINC000539050235 376287912 /nfs/dbraw/zinc/28/79/12/376287912.db2.gz HRLJGSRYGJBZAD-CVEARBPZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CC(C)C)C1CC1 ZINC000539050235 376287920 /nfs/dbraw/zinc/28/79/20/376287920.db2.gz HRLJGSRYGJBZAD-CVEARBPZSA-N 2 1 252.446 3.275 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000224995894 376292259 /nfs/dbraw/zinc/29/22/59/376292259.db2.gz PFJLVLHINBCGGQ-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000224995894 376292262 /nfs/dbraw/zinc/29/22/62/376292262.db2.gz PFJLVLHINBCGGQ-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP COCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C(C)(C)C ZINC000338383923 376358787 /nfs/dbraw/zinc/35/87/87/376358787.db2.gz ZEZCNUCYWBCUKY-OAHLLOKOSA-N 2 1 281.444 3.013 20 0 CGADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540152256 376360956 /nfs/dbraw/zinc/36/09/56/376360956.db2.gz TURJIFSWRIIBOO-DLBZAZTESA-N 2 1 284.488 3.005 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccsc2)[C@@H](C)C1 ZINC000541174336 376425043 /nfs/dbraw/zinc/42/50/43/376425043.db2.gz ACIFAZAWLGIJLV-HOCLYGCPSA-N 2 1 280.481 3.343 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccsc2)[C@@H](C)C1 ZINC000541174336 376425045 /nfs/dbraw/zinc/42/50/45/376425045.db2.gz ACIFAZAWLGIJLV-HOCLYGCPSA-N 2 1 280.481 3.343 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccsc2)[C@@H](C)C1 ZINC000541174336 376425048 /nfs/dbraw/zinc/42/50/48/376425048.db2.gz ACIFAZAWLGIJLV-HOCLYGCPSA-N 2 1 280.481 3.343 20 0 CGADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540605692 376385779 /nfs/dbraw/zinc/38/57/79/376385779.db2.gz JBVKPBVODWKJTM-DLBZAZTESA-N 2 1 264.457 3.443 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540645648 376388104 /nfs/dbraw/zinc/38/81/04/376388104.db2.gz YIPKPALAWFXYNY-UHFFFAOYSA-N 2 1 278.827 3.308 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCCCCC2)C1 ZINC000541552942 376457680 /nfs/dbraw/zinc/45/76/80/376457680.db2.gz XQXAQOKIKJFTQG-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000338689123 376482227 /nfs/dbraw/zinc/48/22/27/376482227.db2.gz REHQEGNPBHUMFW-MRXNPFEDSA-N 2 1 263.429 3.386 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(C)CC2)[C@@H](C)C1 ZINC000542506531 376550338 /nfs/dbraw/zinc/55/03/38/376550338.db2.gz DLBMRIQGSQBSJO-ODZFXCKXSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC(C)CC2)[C@@H](C)C1 ZINC000542506531 376550341 /nfs/dbraw/zinc/55/03/41/376550341.db2.gz DLBMRIQGSQBSJO-ODZFXCKXSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1CCC[C@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000542268999 376528466 /nfs/dbraw/zinc/52/84/66/376528466.db2.gz CVRXZJUICIDVFV-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCC[C@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000542268999 376528473 /nfs/dbraw/zinc/52/84/73/376528473.db2.gz CVRXZJUICIDVFV-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccc(CCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000542277503 376528685 /nfs/dbraw/zinc/52/86/85/376528685.db2.gz SSAOLCYUTQALAN-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccc(CCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000542277503 376528692 /nfs/dbraw/zinc/52/86/92/376528692.db2.gz SSAOLCYUTQALAN-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccc(CCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000542277503 376528697 /nfs/dbraw/zinc/52/86/97/376528697.db2.gz SSAOLCYUTQALAN-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)Cc1ccsc1 ZINC000543094940 376603822 /nfs/dbraw/zinc/60/38/22/376603822.db2.gz HJAXTUTYBXWZNV-BMFZPTHFSA-N 2 1 278.465 3.238 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC000264390313 190106336 /nfs/dbraw/zinc/10/63/36/190106336.db2.gz SAQMRYQMOWHLLX-CQSZACIVSA-N 2 1 294.402 3.166 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000245414116 376810928 /nfs/dbraw/zinc/81/09/28/376810928.db2.gz CBWJGVCQKJDKEK-HZPDHXFCSA-N 2 1 260.425 3.411 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000245414116 376810929 /nfs/dbraw/zinc/81/09/29/376810929.db2.gz CBWJGVCQKJDKEK-HZPDHXFCSA-N 2 1 260.425 3.411 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339721767 376825455 /nfs/dbraw/zinc/82/54/55/376825455.db2.gz XKAFCUNLUJRGDD-HUUCEWRRSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339721767 376825457 /nfs/dbraw/zinc/82/54/57/376825457.db2.gz XKAFCUNLUJRGDD-HUUCEWRRSA-N 2 1 261.413 3.092 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245741605 376898953 /nfs/dbraw/zinc/89/89/53/376898953.db2.gz XITCONNGJNIAKC-NXHRZFHOSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245741605 376898959 /nfs/dbraw/zinc/89/89/59/376898959.db2.gz XITCONNGJNIAKC-NXHRZFHOSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245741605 376898966 /nfs/dbraw/zinc/89/89/66/376898966.db2.gz XITCONNGJNIAKC-NXHRZFHOSA-N 2 1 272.436 3.349 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000245505485 376834957 /nfs/dbraw/zinc/83/49/57/376834957.db2.gz MFFQDQLCQZRMIC-INMHGKMJSA-N 2 1 272.436 3.475 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccco2)C1 ZINC000245556300 376853499 /nfs/dbraw/zinc/85/34/99/376853499.db2.gz IZYJMWFDMCZMJP-HOTGVXAUSA-N 2 1 276.424 3.366 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000245757931 376902431 /nfs/dbraw/zinc/90/24/31/376902431.db2.gz PAXRSIVEYHCAHN-CVEARBPZSA-N 2 1 250.430 3.006 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757931 376902433 /nfs/dbraw/zinc/90/24/33/376902433.db2.gz PAXRSIVEYHCAHN-CVEARBPZSA-N 2 1 250.430 3.006 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757931 376902435 /nfs/dbraw/zinc/90/24/35/376902435.db2.gz PAXRSIVEYHCAHN-CVEARBPZSA-N 2 1 250.430 3.006 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000556869863 376894787 /nfs/dbraw/zinc/89/47/87/376894787.db2.gz CUXYQAFTNDUCTJ-AQBKWJQSSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000556869863 376894793 /nfs/dbraw/zinc/89/47/93/376894793.db2.gz CUXYQAFTNDUCTJ-AQBKWJQSSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)C(C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(C)C ZINC000556932643 376907706 /nfs/dbraw/zinc/90/77/06/376907706.db2.gz BJPCXJOAAOARDX-QGZVFWFLSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)C(C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C(C)C ZINC000556932643 376907717 /nfs/dbraw/zinc/90/77/17/376907717.db2.gz BJPCXJOAAOARDX-QGZVFWFLSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)C(C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000556932643 376907723 /nfs/dbraw/zinc/90/77/23/376907723.db2.gz BJPCXJOAAOARDX-QGZVFWFLSA-N 2 1 266.473 3.332 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C23CCCC3)C1 ZINC000245935655 376938764 /nfs/dbraw/zinc/93/87/64/376938764.db2.gz TXPILVMUFXIMHP-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP CN(Cc1cnc(C2CC2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000557524581 376942110 /nfs/dbraw/zinc/94/21/10/376942110.db2.gz BWDXBLAHQDINTR-PBWFPOADSA-N 2 1 291.464 3.078 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000558506807 377014737 /nfs/dbraw/zinc/01/47/37/377014737.db2.gz KBZKZFHDCTZKTL-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000558506807 377014746 /nfs/dbraw/zinc/01/47/46/377014746.db2.gz KBZKZFHDCTZKTL-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340356477 377019011 /nfs/dbraw/zinc/01/90/11/377019011.db2.gz VZBWQUFQUXZLEH-HNNXBMFYSA-N 2 1 261.413 3.055 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCc1cccc(F)c1)C1CC1 ZINC000340371298 377025477 /nfs/dbraw/zinc/02/54/77/377025477.db2.gz JWWJDKOKZLOJQR-QGZVFWFLSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000340371298 377025484 /nfs/dbraw/zinc/02/54/84/377025484.db2.gz JWWJDKOKZLOJQR-QGZVFWFLSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000340371298 377025491 /nfs/dbraw/zinc/02/54/91/377025491.db2.gz JWWJDKOKZLOJQR-QGZVFWFLSA-N 2 1 290.426 3.317 20 0 CGADMP C[C@H](C[NH+]1[C@@H](C)CC[C@@H]1C)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246460326 377034372 /nfs/dbraw/zinc/03/43/72/377034372.db2.gz FWDSHMKXJVAMFU-QMHWVQJVSA-N 2 1 252.446 3.368 20 0 CGADMP COc1cccc([C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246471932 377037840 /nfs/dbraw/zinc/03/78/40/377037840.db2.gz GXQLLHKPHNIPGT-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246471932 377037848 /nfs/dbraw/zinc/03/78/48/377037848.db2.gz GXQLLHKPHNIPGT-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000246471932 377037855 /nfs/dbraw/zinc/03/78/55/377037855.db2.gz GXQLLHKPHNIPGT-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000246471932 377037864 /nfs/dbraw/zinc/03/78/64/377037864.db2.gz GXQLLHKPHNIPGT-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246533395 377048090 /nfs/dbraw/zinc/04/80/90/377048090.db2.gz CJHIPWDUIPGKAS-NHYWBVRUSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246533395 377048092 /nfs/dbraw/zinc/04/80/92/377048092.db2.gz CJHIPWDUIPGKAS-NHYWBVRUSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)s1 ZINC000246533395 377048097 /nfs/dbraw/zinc/04/80/97/377048097.db2.gz CJHIPWDUIPGKAS-NHYWBVRUSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)s1 ZINC000246533395 377048100 /nfs/dbraw/zinc/04/81/00/377048100.db2.gz CJHIPWDUIPGKAS-NHYWBVRUSA-N 2 1 266.454 3.279 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000558256508 376991218 /nfs/dbraw/zinc/99/12/18/376991218.db2.gz ISLKRSGGASWDBW-ZACQAIPSSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000558256508 376991226 /nfs/dbraw/zinc/99/12/26/376991226.db2.gz ISLKRSGGASWDBW-ZACQAIPSSA-N 2 1 264.457 3.275 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340309460 376995501 /nfs/dbraw/zinc/99/55/01/376995501.db2.gz JNQOFZOEEWJVMP-BMFZPTHFSA-N 2 1 278.465 3.163 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340309460 376995516 /nfs/dbraw/zinc/99/55/16/376995516.db2.gz JNQOFZOEEWJVMP-BMFZPTHFSA-N 2 1 278.465 3.163 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000558419322 377007768 /nfs/dbraw/zinc/00/77/68/377007768.db2.gz NNMQTYGELLNQBA-ZDUSSCGKSA-N 2 1 290.382 3.392 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000558419322 377007780 /nfs/dbraw/zinc/00/77/80/377007780.db2.gz NNMQTYGELLNQBA-ZDUSSCGKSA-N 2 1 290.382 3.392 20 0 CGADMP Cc1ccc(C)c(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246580212 377055818 /nfs/dbraw/zinc/05/58/18/377055818.db2.gz FJIIOXPIKPIRSV-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246580212 377055828 /nfs/dbraw/zinc/05/58/28/377055828.db2.gz FJIIOXPIKPIRSV-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246580212 377055837 /nfs/dbraw/zinc/05/58/37/377055837.db2.gz FJIIOXPIKPIRSV-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246580212 377055848 /nfs/dbraw/zinc/05/58/48/377055848.db2.gz FJIIOXPIKPIRSV-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)Cc1c(C)cccc1C ZINC000738313238 572371822 /nfs/dbraw/zinc/37/18/22/572371822.db2.gz FTLPFVGOOLDOHD-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1c(C)cccc1C ZINC000738313238 572371828 /nfs/dbraw/zinc/37/18/28/572371828.db2.gz FTLPFVGOOLDOHD-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000340470649 377080423 /nfs/dbraw/zinc/08/04/23/377080423.db2.gz PTCCWADSINLFNY-LZWOXQAQSA-N 2 1 293.455 3.392 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(C)nc2C)C1 ZINC000246816066 377095158 /nfs/dbraw/zinc/09/51/58/377095158.db2.gz AWNHQARQWVLEQT-BXUZGUMPSA-N 2 1 281.469 3.142 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000246843680 377101491 /nfs/dbraw/zinc/10/14/91/377101491.db2.gz CGQLWCLHEBEQKA-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000246843680 377101497 /nfs/dbraw/zinc/10/14/97/377101497.db2.gz CGQLWCLHEBEQKA-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000340502392 377106953 /nfs/dbraw/zinc/10/69/53/377106953.db2.gz SSXCQMKPBNBIBT-XDNAFOTISA-N 2 1 270.420 3.007 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000246992433 377134879 /nfs/dbraw/zinc/13/48/79/377134879.db2.gz KHCKSYIPTYLDQK-HBUWYVDXSA-N 2 1 290.426 3.381 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000247061632 377150379 /nfs/dbraw/zinc/15/03/79/377150379.db2.gz PNGATHWWDAZYIU-BVIKNXMNSA-N 2 1 274.452 3.499 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000247111914 377161377 /nfs/dbraw/zinc/16/13/77/377161377.db2.gz TVMGLSGSOKFOEZ-MGPQQGTHSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000247111938 377161464 /nfs/dbraw/zinc/16/14/64/377161464.db2.gz TVMGLSGSOKFOEZ-TTZDDIAXSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000247158692 377169720 /nfs/dbraw/zinc/16/97/20/377169720.db2.gz XORICYRDSASNNN-XYPHTWIQSA-N 2 1 275.440 3.386 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247183500 377172303 /nfs/dbraw/zinc/17/23/03/377172303.db2.gz UXUKUIOPRARSND-XJKSGUPXSA-N 2 1 264.388 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247183500 377172312 /nfs/dbraw/zinc/17/23/12/377172312.db2.gz UXUKUIOPRARSND-XJKSGUPXSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3C)[C@@H](C)C1 ZINC000247960717 377249151 /nfs/dbraw/zinc/24/91/51/377249151.db2.gz GFOHOIPCVVTHHF-MAUKXSAKSA-N 2 1 299.462 3.339 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247982154 377253892 /nfs/dbraw/zinc/25/38/92/377253892.db2.gz ILFZCCIHJRSJBV-QRQLOZEOSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC000248169044 377274726 /nfs/dbraw/zinc/27/47/26/377274726.db2.gz UJLXEZZMFJVJIT-ZTFGCOKTSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)CC[N@H+]1C ZINC000248169044 377274729 /nfs/dbraw/zinc/27/47/29/377274729.db2.gz UJLXEZZMFJVJIT-ZTFGCOKTSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000248173689 377276755 /nfs/dbraw/zinc/27/67/55/377276755.db2.gz VFASIYSHAFSELD-LBTNJELSSA-N 2 1 290.426 3.381 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367407 377294616 /nfs/dbraw/zinc/29/46/16/377294616.db2.gz UAKWVYMINKGFBZ-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367407 377294619 /nfs/dbraw/zinc/29/46/19/377294619.db2.gz UAKWVYMINKGFBZ-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367407 377294623 /nfs/dbraw/zinc/29/46/23/377294623.db2.gz UAKWVYMINKGFBZ-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367407 377294626 /nfs/dbraw/zinc/29/46/26/377294626.db2.gz UAKWVYMINKGFBZ-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248399830 377309019 /nfs/dbraw/zinc/30/90/19/377309019.db2.gz KIRUOAJBNHFFLU-KZNAEPCWSA-N 2 1 272.436 3.287 20 0 CGADMP C[NH+](C)CC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000341189067 377439333 /nfs/dbraw/zinc/43/93/33/377439333.db2.gz OUNSYGQYCLVNOY-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP C[C@H](CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000249052786 377451347 /nfs/dbraw/zinc/45/13/47/377451347.db2.gz XWHDJBAQNLSFAK-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP C[C@H](CC[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000249052786 377451352 /nfs/dbraw/zinc/45/13/52/377451352.db2.gz XWHDJBAQNLSFAK-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP C[C@H](CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000249052786 377451357 /nfs/dbraw/zinc/45/13/57/377451357.db2.gz XWHDJBAQNLSFAK-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000563135856 377408446 /nfs/dbraw/zinc/40/84/46/377408446.db2.gz VEIKRQDDNMPAGX-PMACEKPBSA-N 2 1 292.426 3.395 20 0 CGADMP CC[C@](C)(O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000249424363 377501460 /nfs/dbraw/zinc/50/14/60/377501460.db2.gz XVKPMRMHLPWNNX-AEFFLSMTSA-N 2 1 296.499 3.124 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249215494 377480553 /nfs/dbraw/zinc/48/05/53/377480553.db2.gz ZPHWPCAHMGATNF-NEWSRXKRSA-N 2 1 286.463 3.428 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000249381188 377496574 /nfs/dbraw/zinc/49/65/74/377496574.db2.gz RMYFFALFEKTQJE-ZIAGYGMSSA-N 2 1 278.465 3.401 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000249379510 377497606 /nfs/dbraw/zinc/49/76/06/377497606.db2.gz PFELLGLQWJVJTP-CVEARBPZSA-N 2 1 290.451 3.466 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccs1 ZINC000037644215 249002836 /nfs/dbraw/zinc/00/28/36/249002836.db2.gz IZMPJXOOCRLFQB-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP Clc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000165993462 542173749 /nfs/dbraw/zinc/17/37/49/542173749.db2.gz PJPJBJRBCURSBE-HZPDHXFCSA-N 2 1 278.827 3.099 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000469864612 249160227 /nfs/dbraw/zinc/16/02/27/249160227.db2.gz WCRKYCWLAIJMAX-QWHCGFSZSA-N 2 1 266.816 3.126 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(C)c1OC(F)F ZINC000469865556 249160302 /nfs/dbraw/zinc/16/03/02/249160302.db2.gz VVYUSIPPZDMXNZ-GXTWGEPZSA-N 2 1 298.377 3.074 20 0 CGADMP Clc1ccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428030001 249131167 /nfs/dbraw/zinc/13/11/67/249131167.db2.gz BZKQHLOBDTVJCT-WFASDCNBSA-N 2 1 296.867 3.116 20 0 CGADMP Clc1ccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428030001 249131171 /nfs/dbraw/zinc/13/11/71/249131171.db2.gz BZKQHLOBDTVJCT-WFASDCNBSA-N 2 1 296.867 3.116 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251422871 377582827 /nfs/dbraw/zinc/58/28/27/377582827.db2.gz QFEOKHVJPQNRCM-XHSDSOJGSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000251250798 377578142 /nfs/dbraw/zinc/57/81/42/377578142.db2.gz UMHICYOAQNAMRV-NAZJXLNTSA-N 2 1 272.436 3.395 20 0 CGADMP CCCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000519101244 249292292 /nfs/dbraw/zinc/29/22/92/249292292.db2.gz LPIGVDOPQITYLT-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)[C@H](C)O)[NH2+][C@H](C)c1ccccc1 ZINC000573914267 377593545 /nfs/dbraw/zinc/59/35/45/377593545.db2.gz WQUMTFJMPRMMQF-OAGGEKHMSA-N 2 1 292.467 3.255 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251859884 377600531 /nfs/dbraw/zinc/60/05/31/377600531.db2.gz PTMSPQZMIRBYLN-YFVFXCHESA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251904740 377605875 /nfs/dbraw/zinc/60/58/75/377605875.db2.gz WSDXGWFPJCARBY-GYSYKLTISA-N 2 1 286.341 3.436 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC1(C)C ZINC000252130641 377616419 /nfs/dbraw/zinc/61/64/19/377616419.db2.gz KTGALHKIRBAQGJ-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000252177398 377617337 /nfs/dbraw/zinc/61/73/37/377617337.db2.gz SGMPCEDTIXWXND-NPJQDHAYSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000252003346 377610208 /nfs/dbraw/zinc/61/02/08/377610208.db2.gz WYRRBTMKGZQRJV-MJGOQNOKSA-N 2 1 299.462 3.192 20 0 CGADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000252003346 377610213 /nfs/dbraw/zinc/61/02/13/377610213.db2.gz WYRRBTMKGZQRJV-MJGOQNOKSA-N 2 1 299.462 3.192 20 0 CGADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000252003346 377610219 /nfs/dbraw/zinc/61/02/19/377610219.db2.gz WYRRBTMKGZQRJV-MJGOQNOKSA-N 2 1 299.462 3.192 20 0 CGADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000252003346 377610221 /nfs/dbraw/zinc/61/02/21/377610221.db2.gz WYRRBTMKGZQRJV-MJGOQNOKSA-N 2 1 299.462 3.192 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000342445600 377649579 /nfs/dbraw/zinc/64/95/79/377649579.db2.gz HTNSTKOVDUIHLV-SFHVURJKSA-N 2 1 283.419 3.461 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000342445600 377649584 /nfs/dbraw/zinc/64/95/84/377649584.db2.gz HTNSTKOVDUIHLV-SFHVURJKSA-N 2 1 283.419 3.461 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252696410 377651712 /nfs/dbraw/zinc/65/17/12/377651712.db2.gz AATZSIBHEJZWPU-UTUOFQBUSA-N 2 1 284.350 3.018 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCC2CCCCC2)C1 ZINC000574365490 377654785 /nfs/dbraw/zinc/65/47/85/377654785.db2.gz CDNPLXVJECEKDQ-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCC2CCCCC2)C1 ZINC000574365490 377654794 /nfs/dbraw/zinc/65/47/94/377654794.db2.gz CDNPLXVJECEKDQ-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCC2CCCCC2)C1 ZINC000574365490 377654803 /nfs/dbraw/zinc/65/48/03/377654803.db2.gz CDNPLXVJECEKDQ-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP CCC1CCC([N@@H+](C)CCCc2cncn2C)CC1 ZINC000574410342 377659201 /nfs/dbraw/zinc/65/92/01/377659201.db2.gz HKZCATXKLAFAQP-UHFFFAOYSA-N 2 1 263.429 3.253 20 0 CGADMP CCC1CCC([N@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000574410342 377659207 /nfs/dbraw/zinc/65/92/07/377659207.db2.gz HKZCATXKLAFAQP-UHFFFAOYSA-N 2 1 263.429 3.253 20 0 CGADMP CCC1CCC([N@@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000574410342 377659218 /nfs/dbraw/zinc/65/92/18/377659218.db2.gz HKZCATXKLAFAQP-UHFFFAOYSA-N 2 1 263.429 3.253 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000252875201 377666820 /nfs/dbraw/zinc/66/68/20/377666820.db2.gz VNZVBHVIHVMEOM-RYQLBKOJSA-N 2 1 272.436 3.171 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000574529724 377677875 /nfs/dbraw/zinc/67/78/75/377677875.db2.gz YYZSOTYUYIGPCL-AWEZNQCLSA-N 2 1 289.398 3.055 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000574529724 377677886 /nfs/dbraw/zinc/67/78/86/377677886.db2.gz YYZSOTYUYIGPCL-AWEZNQCLSA-N 2 1 289.398 3.055 20 0 CGADMP C[N@@H+](CCC1CCCCC1)CC[C@H]1CCC[NH2+]C1 ZINC000259192619 377804331 /nfs/dbraw/zinc/80/43/31/377804331.db2.gz ZRWVNGKTCSKHPS-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP C[C@]1(C[N@@H+](CC2CC2)C2CCCCC2)CC[NH2+]C1 ZINC000261918614 377867778 /nfs/dbraw/zinc/86/77/78/377867778.db2.gz ZZQHRLAEBGBSAW-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261966113 377874194 /nfs/dbraw/zinc/87/41/94/377874194.db2.gz HUTQCNIERLFTGD-MRXNPFEDSA-N 2 1 278.827 3.088 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261966113 377874201 /nfs/dbraw/zinc/87/42/01/377874201.db2.gz HUTQCNIERLFTGD-MRXNPFEDSA-N 2 1 278.827 3.088 20 0 CGADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000261993823 377875173 /nfs/dbraw/zinc/87/51/73/377875173.db2.gz NAWZLTZLUIEZNK-ZDUSSCGKSA-N 2 1 293.455 3.355 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3cnccc32)C1 ZINC000183370542 542231056 /nfs/dbraw/zinc/23/10/56/542231056.db2.gz WEHDDBKFYZADNG-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183370542 542231069 /nfs/dbraw/zinc/23/10/69/542231069.db2.gz WEHDDBKFYZADNG-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183370542 542231074 /nfs/dbraw/zinc/23/10/74/542231074.db2.gz WEHDDBKFYZADNG-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC(C)(C)CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262023427 377880226 /nfs/dbraw/zinc/88/02/26/377880226.db2.gz WKBPLUMMCDATMD-QGZVFWFLSA-N 2 1 289.467 3.462 20 0 CGADMP CC[N@@H+](C[C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262037072 377881685 /nfs/dbraw/zinc/88/16/85/377881685.db2.gz XVCZNNIVWZIJQW-WBVHZDCISA-N 2 1 260.425 3.254 20 0 CGADMP c1cnc2c(c1)cccc2C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000262042848 377881722 /nfs/dbraw/zinc/88/17/22/377881722.db2.gz CABXZDYRGTWNPN-UHFFFAOYSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262080980 377884598 /nfs/dbraw/zinc/88/45/98/377884598.db2.gz TWALGEPEBHYBQA-UNEWFSDZSA-N 2 1 276.399 3.003 20 0 CGADMP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000262089187 377887167 /nfs/dbraw/zinc/88/71/67/377887167.db2.gz UPIPHJOTHQTQDF-MSOLQXFVSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)on2)cc1 ZINC000262444797 377898938 /nfs/dbraw/zinc/89/89/38/377898938.db2.gz HDSMTEXNLUPLCV-HOCLYGCPSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)on2)cc1 ZINC000262444797 377898946 /nfs/dbraw/zinc/89/89/46/377898946.db2.gz HDSMTEXNLUPLCV-HOCLYGCPSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000342863330 377846639 /nfs/dbraw/zinc/84/66/39/377846639.db2.gz IALYWCRGLRWOIC-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCC(C)(C)CC1 ZINC000342863330 377846642 /nfs/dbraw/zinc/84/66/42/377846642.db2.gz IALYWCRGLRWOIC-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCn1ccnc1C ZINC000342863903 377847545 /nfs/dbraw/zinc/84/75/45/377847545.db2.gz KGEFHMOCOSWZCZ-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000342863903 377847557 /nfs/dbraw/zinc/84/75/57/377847557.db2.gz KGEFHMOCOSWZCZ-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000342863903 377847565 /nfs/dbraw/zinc/84/75/65/377847565.db2.gz KGEFHMOCOSWZCZ-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccccc2)s1 ZINC000578532180 378079142 /nfs/dbraw/zinc/07/91/42/378079142.db2.gz FFFYLDVCWCSLGW-UHFFFAOYSA-N 2 1 260.406 3.196 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c[nH]c2c1 ZINC000268807251 378117711 /nfs/dbraw/zinc/11/77/11/378117711.db2.gz LAVIILSIOVYCKQ-IIDMSEBBSA-N 2 1 299.462 3.337 20 0 CGADMP CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268838849 378127238 /nfs/dbraw/zinc/12/72/38/378127238.db2.gz MECKSTKETZNVRC-UONOGXRCSA-N 2 1 287.407 3.256 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000268849205 378130501 /nfs/dbraw/zinc/13/05/01/378130501.db2.gz XRZAXFALLXIOTR-LLVKDONJSA-N 2 1 295.333 3.144 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2Cc3ccccc3C2)C1 ZINC000579181202 378137677 /nfs/dbraw/zinc/13/76/77/378137677.db2.gz WBEWMSCRFUBNCJ-INIZCTEOSA-N 2 1 286.463 3.065 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000579181202 378137681 /nfs/dbraw/zinc/13/76/81/378137681.db2.gz WBEWMSCRFUBNCJ-INIZCTEOSA-N 2 1 286.463 3.065 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000579181202 378137689 /nfs/dbraw/zinc/13/76/89/378137689.db2.gz WBEWMSCRFUBNCJ-INIZCTEOSA-N 2 1 286.463 3.065 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579354351 378152309 /nfs/dbraw/zinc/15/23/09/378152309.db2.gz ZLWJQSODNYANGC-NSHDSACASA-N 2 1 274.330 3.090 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000268776168 378108042 /nfs/dbraw/zinc/10/80/42/378108042.db2.gz BLAZKNFXWLAHAR-LLVKDONJSA-N 2 1 292.452 3.260 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000268785093 378109570 /nfs/dbraw/zinc/10/95/70/378109570.db2.gz DKWAGEMBAZTRSR-CYBMUJFWSA-N 2 1 280.375 3.091 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000579819926 378197403 /nfs/dbraw/zinc/19/74/03/378197403.db2.gz FEICBHAAAGGUOH-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000579819926 378197407 /nfs/dbraw/zinc/19/74/07/378197407.db2.gz FEICBHAAAGGUOH-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2[nH]cnc2c1 ZINC000579528934 378168421 /nfs/dbraw/zinc/16/84/21/378168421.db2.gz XMHPPHYHMCRYSW-UHFFFAOYSA-N 2 1 288.439 3.117 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2[nH]cnc2c1 ZINC000579528934 378168427 /nfs/dbraw/zinc/16/84/27/378168427.db2.gz XMHPPHYHMCRYSW-UHFFFAOYSA-N 2 1 288.439 3.117 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580205956 378231941 /nfs/dbraw/zinc/23/19/41/378231941.db2.gz JMEBKMZERDOCHZ-UHFFFAOYSA-N 2 1 298.405 3.494 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000582387710 378309825 /nfs/dbraw/zinc/30/98/25/378309825.db2.gz IYZUZGFHDRIIAF-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000582387710 378309830 /nfs/dbraw/zinc/30/98/30/378309830.db2.gz IYZUZGFHDRIIAF-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000582387710 378309834 /nfs/dbraw/zinc/30/98/34/378309834.db2.gz IYZUZGFHDRIIAF-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000582387710 378309840 /nfs/dbraw/zinc/30/98/40/378309840.db2.gz IYZUZGFHDRIIAF-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC2(C)CC2)CC1 ZINC000583256384 378315538 /nfs/dbraw/zinc/31/55/38/378315538.db2.gz AVXURDNZVVTSSI-UHFFFAOYSA-N 2 1 272.436 3.349 20 0 CGADMP CCC(CC)C[N@H+](CC)CCCc1c[nH+]cn1C ZINC000584002281 378365561 /nfs/dbraw/zinc/36/55/61/378365561.db2.gz SDDHIRGSSWRCJC-UHFFFAOYSA-N 2 1 251.418 3.111 20 0 CGADMP CCC(CC)C[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000584002281 378365568 /nfs/dbraw/zinc/36/55/68/378365568.db2.gz SDDHIRGSSWRCJC-UHFFFAOYSA-N 2 1 251.418 3.111 20 0 CGADMP CC(C)SCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595508633 378401833 /nfs/dbraw/zinc/40/18/33/378401833.db2.gz IEOIKMIFUXAUPR-UHFFFAOYSA-N 2 1 292.492 3.382 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000270646199 378381586 /nfs/dbraw/zinc/38/15/86/378381586.db2.gz NYTYWAHNCPAXSD-GFCCVEGCSA-N 2 1 292.452 3.348 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000270646199 378381592 /nfs/dbraw/zinc/38/15/92/378381592.db2.gz NYTYWAHNCPAXSD-GFCCVEGCSA-N 2 1 292.452 3.348 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000270659574 378382671 /nfs/dbraw/zinc/38/26/71/378382671.db2.gz QINOLWHOCDPHBR-MRXNPFEDSA-N 2 1 287.382 3.210 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000270659574 378382674 /nfs/dbraw/zinc/38/26/74/378382674.db2.gz QINOLWHOCDPHBR-MRXNPFEDSA-N 2 1 287.382 3.210 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000584439976 378385584 /nfs/dbraw/zinc/38/55/84/378385584.db2.gz WITOWTMPMBNMJA-CABCVRRESA-N 2 1 299.462 3.345 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000584439976 378385588 /nfs/dbraw/zinc/38/55/88/378385588.db2.gz WITOWTMPMBNMJA-CABCVRRESA-N 2 1 299.462 3.345 20 0 CGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000565992648 322099651 /nfs/dbraw/zinc/09/96/51/322099651.db2.gz FVTFJEFAEHZVHT-LSDHHAIUSA-N 2 1 263.429 3.157 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000346175223 378491027 /nfs/dbraw/zinc/49/10/27/378491027.db2.gz NJNMAFHMGSBRQV-CRAIPNDOSA-N 2 1 296.418 3.340 20 0 CGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000271486973 378496096 /nfs/dbraw/zinc/49/60/96/378496096.db2.gz OFPHZLKAMAVUDN-QRTARXTBSA-N 2 1 288.435 3.145 20 0 CGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000271486973 378496101 /nfs/dbraw/zinc/49/61/01/378496101.db2.gz OFPHZLKAMAVUDN-QRTARXTBSA-N 2 1 288.435 3.145 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000271788313 378504473 /nfs/dbraw/zinc/50/44/73/378504473.db2.gz GEYYCJSBCFWFFA-UHFFFAOYSA-N 2 1 284.325 3.057 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271875103 378510634 /nfs/dbraw/zinc/51/06/34/378510634.db2.gz NZEWEDKTPVAHRQ-QGZVFWFLSA-N 2 1 286.419 3.060 20 0 CGADMP CCC[N@@H+](CCc1cccc(F)c1)CCn1cc[nH+]c1C ZINC000346335723 378548347 /nfs/dbraw/zinc/54/83/47/378548347.db2.gz YUXLIPIOPGHDDL-UHFFFAOYSA-N 2 1 289.398 3.285 20 0 CGADMP CCC[N@H+](CCc1cccc(F)c1)CCn1cc[nH+]c1C ZINC000346335723 378548350 /nfs/dbraw/zinc/54/83/50/378548350.db2.gz YUXLIPIOPGHDDL-UHFFFAOYSA-N 2 1 289.398 3.285 20 0 CGADMP C[C@H]([NH2+]Cc1cccn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272188303 378580570 /nfs/dbraw/zinc/58/05/70/378580570.db2.gz LQDQXARFWVQFEC-WMZOPIPTSA-N 2 1 297.446 3.025 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346506757 378598770 /nfs/dbraw/zinc/59/87/70/378598770.db2.gz QCVVETLKCNQSRN-CXAGYDPISA-N 2 1 286.350 3.435 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000346648257 378661874 /nfs/dbraw/zinc/66/18/74/378661874.db2.gz PDEIPAINBYCVKU-RDJZCZTQSA-N 2 1 290.451 3.281 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000266149937 190235115 /nfs/dbraw/zinc/23/51/15/190235115.db2.gz WPDXUMDVDFXJHU-ZDUSSCGKSA-N 2 1 296.842 3.101 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000346680818 378673392 /nfs/dbraw/zinc/67/33/92/378673392.db2.gz MTBPUVMOJYHVCY-HOCLYGCPSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000346692335 378676604 /nfs/dbraw/zinc/67/66/04/378676604.db2.gz YFPYRQSCRVPRMS-GHMZBOCLSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3ncccc23)CC[N@@H+]1C ZINC000638116206 378705351 /nfs/dbraw/zinc/70/53/51/378705351.db2.gz HZHXEIPYOMMDQJ-ZBFHGGJFSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3ncccc23)CC[N@H+]1C ZINC000638116206 378705357 /nfs/dbraw/zinc/70/53/57/378705357.db2.gz HZHXEIPYOMMDQJ-ZBFHGGJFSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3ncccc23)CC[NH+]1C ZINC000638116206 378705360 /nfs/dbraw/zinc/70/53/60/378705360.db2.gz HZHXEIPYOMMDQJ-ZBFHGGJFSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3ncccc23)CC[NH+]1C ZINC000638116206 378705363 /nfs/dbraw/zinc/70/53/63/378705363.db2.gz HZHXEIPYOMMDQJ-ZBFHGGJFSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC(C)(C)Oc2ccccc2)CC[N@@H+]1C ZINC000638117259 378705777 /nfs/dbraw/zinc/70/57/77/378705777.db2.gz PWWFLYZRAYPHJS-CVEARBPZSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC(C)(C)Oc2ccccc2)CC[N@H+]1C ZINC000638117259 378705778 /nfs/dbraw/zinc/70/57/78/378705778.db2.gz PWWFLYZRAYPHJS-CVEARBPZSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CC(C)(C)Oc2ccccc2)CC[NH+]1C ZINC000638117259 378705782 /nfs/dbraw/zinc/70/57/82/378705782.db2.gz PWWFLYZRAYPHJS-CVEARBPZSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC(C)(C)Oc2ccccc2)CC[NH+]1C ZINC000638117259 378705784 /nfs/dbraw/zinc/70/57/84/378705784.db2.gz PWWFLYZRAYPHJS-CVEARBPZSA-N 2 1 290.451 3.259 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3ncccc23)C1 ZINC000638134239 378712909 /nfs/dbraw/zinc/71/29/09/378712909.db2.gz MXSWONWNNKBOCD-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638134239 378712911 /nfs/dbraw/zinc/71/29/11/378712911.db2.gz MXSWONWNNKBOCD-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638134239 378712917 /nfs/dbraw/zinc/71/29/17/378712917.db2.gz MXSWONWNNKBOCD-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C(C1CCSCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638179021 378724427 /nfs/dbraw/zinc/72/44/27/378724427.db2.gz HENIRGBHLFTWIV-DOTOQJQBSA-N 2 1 294.508 3.078 20 0 CGADMP C(C1CCSCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638179021 378724428 /nfs/dbraw/zinc/72/44/28/378724428.db2.gz HENIRGBHLFTWIV-DOTOQJQBSA-N 2 1 294.508 3.078 20 0 CGADMP C(C1CCSCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638179021 378724432 /nfs/dbraw/zinc/72/44/32/378724432.db2.gz HENIRGBHLFTWIV-DOTOQJQBSA-N 2 1 294.508 3.078 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CC1(F)F ZINC000638300913 378762018 /nfs/dbraw/zinc/76/20/18/378762018.db2.gz LCFVDZVPFHYHBG-TZMCWYRMSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000346894761 218051647 /nfs/dbraw/zinc/05/16/47/218051647.db2.gz ZAAOIPHKOIYULD-CVEARBPZSA-N 2 1 275.440 3.305 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346848495 218035855 /nfs/dbraw/zinc/03/58/55/218035855.db2.gz DVNYGEJDBYVRJA-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348237913 378857905 /nfs/dbraw/zinc/85/79/05/378857905.db2.gz DKOBJUDUURBTOO-PVAVHDDUSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348238775 378858038 /nfs/dbraw/zinc/85/80/38/378858038.db2.gz FUOGSWARXTZDBX-OLMNPRSZSA-N 2 1 283.419 3.221 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000274822880 378901615 /nfs/dbraw/zinc/90/16/15/378901615.db2.gz HOYLCOLXKJTORC-HNNXBMFYSA-N 2 1 271.408 3.050 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000348267900 378875222 /nfs/dbraw/zinc/87/52/22/378875222.db2.gz ATNNMPBCAVPNJL-NVXWUHKLSA-N 2 1 293.455 3.109 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000348267900 378875228 /nfs/dbraw/zinc/87/52/28/378875228.db2.gz ATNNMPBCAVPNJL-NVXWUHKLSA-N 2 1 293.455 3.109 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000347016836 218092378 /nfs/dbraw/zinc/09/23/78/218092378.db2.gz ZFLGLNOCRXUWFX-YCPHGPKFSA-N 2 1 276.399 3.003 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000347059542 218107937 /nfs/dbraw/zinc/10/79/37/218107937.db2.gz XJJWRXLALUZFPY-GFCCVEGCSA-N 2 1 290.407 3.335 20 0 CGADMP CC[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638973222 378963178 /nfs/dbraw/zinc/96/31/78/378963178.db2.gz YOTNSPPOASZQRF-ZMSDIMECSA-N 2 1 282.472 3.044 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347081281 218114565 /nfs/dbraw/zinc/11/45/65/218114565.db2.gz XSOSWIRWFPPGER-AWEZNQCLSA-N 2 1 299.393 3.058 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347081281 218114566 /nfs/dbraw/zinc/11/45/66/218114566.db2.gz XSOSWIRWFPPGER-AWEZNQCLSA-N 2 1 299.393 3.058 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@H]1C[NH3+] ZINC000347100663 218121775 /nfs/dbraw/zinc/12/17/75/218121775.db2.gz JZSSYHAVSQFBAF-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@H]1C[NH3+] ZINC000347100663 218121777 /nfs/dbraw/zinc/12/17/77/218121777.db2.gz JZSSYHAVSQFBAF-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP CCC[N@@H+](Cc1ccc(OC)c(Cl)c1)C1CC[NH2+]CC1 ZINC000347120913 218129275 /nfs/dbraw/zinc/12/92/75/218129275.db2.gz WEGJEXRUKKEFIT-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]CCCc1c(F)cccc1Cl ZINC000278608804 194066595 /nfs/dbraw/zinc/06/65/95/194066595.db2.gz DNLRSYDVUCWRAA-UHFFFAOYSA-N 2 1 295.789 3.206 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347211862 218156910 /nfs/dbraw/zinc/15/69/10/218156910.db2.gz PGZXLDTVHXUKPB-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003325 379043212 /nfs/dbraw/zinc/04/32/12/379043212.db2.gz ASSAGBNZAPFWEE-VNHYZAJKSA-N 2 1 296.842 3.180 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277103533 379070650 /nfs/dbraw/zinc/07/06/50/379070650.db2.gz GRKJWNDNNVXEPM-JKSUJKDBSA-N 2 1 260.425 3.472 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)CC1 ZINC000277122523 379074530 /nfs/dbraw/zinc/07/45/30/379074530.db2.gz HXVWOWPRXFWKAD-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)CC1 ZINC000277122523 379074533 /nfs/dbraw/zinc/07/45/33/379074533.db2.gz HXVWOWPRXFWKAD-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639169593 379090033 /nfs/dbraw/zinc/09/00/33/379090033.db2.gz GQFHJDMJOSCETD-NBMJBFSESA-N 2 1 286.463 3.499 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1C[C@@H]1C ZINC000348971240 379126976 /nfs/dbraw/zinc/12/69/76/379126976.db2.gz XYGDHRIEJJZBGB-WMLDXEAASA-N 2 1 260.425 3.226 20 0 CGADMP CCCn1ccnc1CCC[N@@H+](C)CC1CCCC1 ZINC000349192857 379184411 /nfs/dbraw/zinc/18/44/11/379184411.db2.gz PUXCCUQKQXYHGK-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CCCC1 ZINC000349192857 379184420 /nfs/dbraw/zinc/18/44/20/379184420.db2.gz PUXCCUQKQXYHGK-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CCCC1 ZINC000349192857 379184424 /nfs/dbraw/zinc/18/44/24/379184424.db2.gz PUXCCUQKQXYHGK-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000442711186 284765413 /nfs/dbraw/zinc/76/54/13/284765413.db2.gz DFIQFFBCLREHAJ-HIFPTAJRSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688356 379199188 /nfs/dbraw/zinc/19/91/88/379199188.db2.gz DJHNWZIQNYXBNH-VYMRPNJYSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688356 379199199 /nfs/dbraw/zinc/19/91/99/379199199.db2.gz DJHNWZIQNYXBNH-VYMRPNJYSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000278334559 379352886 /nfs/dbraw/zinc/35/28/86/379352886.db2.gz WTLCMWWUTRJIEC-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000278334559 379352889 /nfs/dbraw/zinc/35/28/89/379352889.db2.gz WTLCMWWUTRJIEC-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@H+](CCOC)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000349861604 379425931 /nfs/dbraw/zinc/42/59/31/379425931.db2.gz QCUVWVYZONMFPW-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP CC[N@@H+](CCOC)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000349861604 379425938 /nfs/dbraw/zinc/42/59/38/379425938.db2.gz QCUVWVYZONMFPW-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP CC[NH+](CCOC)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000349861604 379425944 /nfs/dbraw/zinc/42/59/44/379425944.db2.gz QCUVWVYZONMFPW-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP CC[NH+](CCOC)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000349861604 379425949 /nfs/dbraw/zinc/42/59/49/379425949.db2.gz QCUVWVYZONMFPW-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP Clc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000350183779 379528083 /nfs/dbraw/zinc/52/80/83/379528083.db2.gz JHOJWHQSABHURW-UHFFFAOYSA-N 2 1 282.815 3.241 20 0 CGADMP Fc1ccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c2c1 ZINC000377387881 379669621 /nfs/dbraw/zinc/66/96/21/379669621.db2.gz WPVDXVICKQKNAL-KBPBESRZSA-N 2 1 285.366 3.413 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000639983042 379675073 /nfs/dbraw/zinc/67/50/73/379675073.db2.gz NKWJRUWSKFDHBZ-HNNXBMFYSA-N 2 1 282.497 3.080 20 0 CGADMP COc1cc(Cl)ccc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000280529370 379725227 /nfs/dbraw/zinc/72/52/27/379725227.db2.gz RSMVQAIMRKCNHR-ZDUSSCGKSA-N 2 1 296.842 3.122 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351848150 379745675 /nfs/dbraw/zinc/74/56/75/379745675.db2.gz CFQQCBIMJPHYGG-JRPNMDOOSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351848150 379745681 /nfs/dbraw/zinc/74/56/81/379745681.db2.gz CFQQCBIMJPHYGG-JRPNMDOOSA-N 2 1 268.351 3.085 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000347755756 218345297 /nfs/dbraw/zinc/34/52/97/218345297.db2.gz XROHNWMDSWJPGF-QGZVFWFLSA-N 2 1 287.382 3.233 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCC(C)C)CC1 ZINC000352365510 379781011 /nfs/dbraw/zinc/78/10/11/379781011.db2.gz SOENHDPSDWCETH-UHFFFAOYSA-N 2 1 262.397 3.279 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352370349 379785086 /nfs/dbraw/zinc/78/50/86/379785086.db2.gz ZWHANXNLFZTPFG-CYBMUJFWSA-N 2 1 262.397 3.279 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352489197 379834027 /nfs/dbraw/zinc/83/40/27/379834027.db2.gz YOVWMQOWXHQFGS-MRXNPFEDSA-N 2 1 276.424 3.177 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352524185 379843601 /nfs/dbraw/zinc/84/36/01/379843601.db2.gz AAXMVDIDEHVHNU-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352524185 379843608 /nfs/dbraw/zinc/84/36/08/379843608.db2.gz AAXMVDIDEHVHNU-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1F ZINC000352541082 379848691 /nfs/dbraw/zinc/84/86/91/379848691.db2.gz TYVFOJWBURGRDY-BWPKMQGJSA-N 2 1 280.362 3.181 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1F ZINC000352541082 379848698 /nfs/dbraw/zinc/84/86/98/379848698.db2.gz TYVFOJWBURGRDY-BWPKMQGJSA-N 2 1 280.362 3.181 20 0 CGADMP Cc1ncccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533342 379819596 /nfs/dbraw/zinc/81/95/96/379819596.db2.gz FOSRFYAEMZRYMU-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP Cc1cccc(CC[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640533394 379820074 /nfs/dbraw/zinc/82/00/74/379820074.db2.gz HSIXICCLSNWBPJ-UHFFFAOYSA-N 2 1 289.467 3.130 20 0 CGADMP C[C@@H]1CC[C@H](C)N1[C@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716839 379921868 /nfs/dbraw/zinc/92/18/68/379921868.db2.gz HQPZSYMWCYVOIX-ILOCAZANSA-N 2 1 294.483 3.139 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398036167 379926108 /nfs/dbraw/zinc/92/61/08/379926108.db2.gz PWDKHAZDOHVKGU-FUHWJXTLSA-N 2 1 272.436 3.453 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(F)(F)F ZINC000402586092 379968856 /nfs/dbraw/zinc/96/88/56/379968856.db2.gz WJVKKQZRSDTMMD-SRVKXCTJSA-N 2 1 266.351 3.037 20 0 CGADMP c1coc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282799669 379990261 /nfs/dbraw/zinc/99/02/61/379990261.db2.gz RUARHGLMCYJICQ-CQSZACIVSA-N 2 1 285.391 3.192 20 0 CGADMP c1coc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282799669 379990267 /nfs/dbraw/zinc/99/02/67/379990267.db2.gz RUARHGLMCYJICQ-CQSZACIVSA-N 2 1 285.391 3.192 20 0 CGADMP C[C@H]([NH2+][C@H]1CC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347891283 218391711 /nfs/dbraw/zinc/39/17/11/218391711.db2.gz BKSWWPHGXHCZAN-XIRDDKMYSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921425 380040242 /nfs/dbraw/zinc/04/02/42/380040242.db2.gz IJRNTEUDBFLPGS-WKUFJEKOSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921425 380040249 /nfs/dbraw/zinc/04/02/49/380040249.db2.gz IJRNTEUDBFLPGS-WKUFJEKOSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921425 380040256 /nfs/dbraw/zinc/04/02/56/380040256.db2.gz IJRNTEUDBFLPGS-WKUFJEKOSA-N 2 1 294.483 3.139 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353152832 380142090 /nfs/dbraw/zinc/14/20/90/380142090.db2.gz JAXRZZZIVHZFKM-YIONKMFJSA-N 2 1 294.389 3.064 20 0 CGADMP C[NH+](CCc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353152832 380142099 /nfs/dbraw/zinc/14/20/99/380142099.db2.gz JAXRZZZIVHZFKM-YIONKMFJSA-N 2 1 294.389 3.064 20 0 CGADMP C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353086831 380108776 /nfs/dbraw/zinc/10/87/76/380108776.db2.gz XGLPQRHTKBYKGA-CABCVRRESA-N 2 1 275.440 3.454 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000641798278 380110833 /nfs/dbraw/zinc/11/08/33/380110833.db2.gz DOVPLCZPUYLXPB-JHJVBQTASA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000641798278 380110839 /nfs/dbraw/zinc/11/08/39/380110839.db2.gz DOVPLCZPUYLXPB-JHJVBQTASA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)[C@@H]1CCC[NH3+] ZINC000641825580 380115282 /nfs/dbraw/zinc/11/52/82/380115282.db2.gz ZQMOMBAREKEQRR-IXDOHACOSA-N 2 1 294.483 3.318 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000414097657 380188641 /nfs/dbraw/zinc/18/86/41/380188641.db2.gz IJZZSXPXEQDEMJ-QLFBSQMISA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000414097657 380188654 /nfs/dbraw/zinc/18/86/54/380188654.db2.gz IJZZSXPXEQDEMJ-QLFBSQMISA-N 2 1 276.424 3.137 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000414191981 380200204 /nfs/dbraw/zinc/20/02/04/380200204.db2.gz SQJNDUHNTKHWBY-UONOGXRCSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@@H]1C[C@H](NC/C=C/c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000286357373 380202251 /nfs/dbraw/zinc/20/22/51/380202251.db2.gz FUXQRLBIRQQRNB-VJTBZZIASA-N 2 1 292.373 3.193 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000353945127 380247759 /nfs/dbraw/zinc/24/77/59/380247759.db2.gz NLUJFIKZVNQVLR-DLBZAZTESA-N 2 1 289.467 3.175 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)cn1 ZINC000353945127 380247762 /nfs/dbraw/zinc/24/77/62/380247762.db2.gz NLUJFIKZVNQVLR-DLBZAZTESA-N 2 1 289.467 3.175 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C[C@H]1OC ZINC000353612518 380214505 /nfs/dbraw/zinc/21/45/05/380214505.db2.gz JSMXLRAWRWGTIM-MZBWOGCUSA-N 2 1 294.483 3.043 20 0 CGADMP c1ccc([C@H]2CCCC[C@H]([NH2+]CC[NH2+]C3CC3)C2)cc1 ZINC000643507325 380330195 /nfs/dbraw/zinc/33/01/95/380330195.db2.gz ZCWNXBQSRGYQTK-WMZOPIPTSA-N 2 1 272.436 3.445 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)Cc1cccs1 ZINC000643514341 380333971 /nfs/dbraw/zinc/33/39/71/380333971.db2.gz JRTBACUBMHKEMP-QWHCGFSZSA-N 2 1 254.443 3.176 20 0 CGADMP CC1(C)CCC[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000643427487 380305511 /nfs/dbraw/zinc/30/55/11/380305511.db2.gz NKUMPGNHACXCCF-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccsc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354081944 380313252 /nfs/dbraw/zinc/31/32/52/380313252.db2.gz IPDCUENMCUHUAS-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354081944 380313258 /nfs/dbraw/zinc/31/32/58/380313258.db2.gz IPDCUENMCUHUAS-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354081944 380313263 /nfs/dbraw/zinc/31/32/63/380313263.db2.gz IPDCUENMCUHUAS-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCSC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414671587 380364423 /nfs/dbraw/zinc/36/44/23/380364423.db2.gz GNELJMNQLUPGOE-BFYDXBDKSA-N 2 1 290.476 3.165 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC000414694694 380378926 /nfs/dbraw/zinc/37/89/26/380378926.db2.gz NLQUIQMHMHYGDT-YCPHGPKFSA-N 2 1 276.399 3.003 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414698558 380380263 /nfs/dbraw/zinc/38/02/63/380380263.db2.gz DBQPMGQLLOPUJE-JYJNAYRXSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC[NH2+]1 ZINC000414700340 380380330 /nfs/dbraw/zinc/38/03/30/380380330.db2.gz JNMAKDSKZJQZKU-UWWQBHOKSA-N 2 1 290.426 3.221 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000414710664 380383984 /nfs/dbraw/zinc/38/39/84/380383984.db2.gz GYAPLSWNAMVWDW-KRWDZBQOSA-N 2 1 260.425 3.267 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2(c3ccccc3)CC2)CC[NH2+]1 ZINC000414760134 380394088 /nfs/dbraw/zinc/39/40/88/380394088.db2.gz YANCUEARXMIJFQ-HZPDHXFCSA-N 2 1 272.436 3.038 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000643526618 380343192 /nfs/dbraw/zinc/34/31/92/380343192.db2.gz CMGJOMUOLYPZAU-NEPJUHHUSA-N 2 1 260.406 3.413 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1C(F)(F)F ZINC000414657601 380356075 /nfs/dbraw/zinc/35/60/75/380356075.db2.gz KOWZDEIBMLMAHC-FZMZJTMJSA-N 2 1 286.341 3.183 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)cc(F)c1 ZINC000643546406 380359512 /nfs/dbraw/zinc/35/95/12/380359512.db2.gz OKWVUYITTQSPMR-IAQYHMDHSA-N 2 1 280.362 3.290 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)cc(F)c1 ZINC000643546405 380359651 /nfs/dbraw/zinc/35/96/51/380359651.db2.gz OKWVUYITTQSPMR-ABAIWWIYSA-N 2 1 280.362 3.290 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414666740 380360244 /nfs/dbraw/zinc/36/02/44/380360244.db2.gz GVKGMGMFLSHBMH-RHSMWYFYSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1F ZINC000643547093 380361509 /nfs/dbraw/zinc/36/15/09/380361509.db2.gz ZPYJXWXCZNLZQQ-OLZOCXBDSA-N 2 1 262.372 3.151 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414836670 380444270 /nfs/dbraw/zinc/44/42/70/380444270.db2.gz ITEVNHMBVQDLOH-QGZVFWFLSA-N 2 1 283.419 3.212 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc2s1 ZINC000414842234 380448116 /nfs/dbraw/zinc/44/81/16/380448116.db2.gz ODLVMJQTQWWVSW-CYBMUJFWSA-N 2 1 277.437 3.068 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000414843166 380449538 /nfs/dbraw/zinc/44/95/38/380449538.db2.gz PULHDJFENSNYRI-HNNXBMFYSA-N 2 1 298.430 3.307 20 0 CGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414846054 380450267 /nfs/dbraw/zinc/45/02/67/380450267.db2.gz SAKCEARQRWIHIL-UHFFFAOYSA-N 2 1 292.471 3.006 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000414847415 380451151 /nfs/dbraw/zinc/45/11/51/380451151.db2.gz VURWIUJBJKMBLT-INIZCTEOSA-N 2 1 298.430 3.211 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C(F)(F)F ZINC000414773849 380398094 /nfs/dbraw/zinc/39/80/94/380398094.db2.gz TZLJEMTYNGNRHE-UKRRQHHQSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C(F)(F)F ZINC000414773849 380398104 /nfs/dbraw/zinc/39/81/04/380398104.db2.gz TZLJEMTYNGNRHE-UKRRQHHQSA-N 2 1 298.352 3.198 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414785601 380402810 /nfs/dbraw/zinc/40/28/10/380402810.db2.gz SVLMUOUZPNHIID-VXGBXAGGSA-N 2 1 284.856 3.223 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414787623 380404779 /nfs/dbraw/zinc/40/47/79/380404779.db2.gz VQQALLWAOBWSOE-KGLIPLIRSA-N 2 1 293.480 3.088 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000414805782 380417966 /nfs/dbraw/zinc/41/79/66/380417966.db2.gz AUTVZODYSFYCRY-RDJZCZTQSA-N 2 1 262.441 3.423 20 0 CGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000414806448 380418409 /nfs/dbraw/zinc/41/84/09/380418409.db2.gz QIKNEOFCIYSHFA-WCQYABFASA-N 2 1 291.420 3.010 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414806783 380420266 /nfs/dbraw/zinc/42/02/66/380420266.db2.gz IGXKVXQJXULTNG-UHFFFAOYSA-N 2 1 292.320 3.452 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414935848 380495068 /nfs/dbraw/zinc/49/50/68/380495068.db2.gz GGPQNUWGPCGGQW-CJNGLKHVSA-N 2 1 270.376 3.034 20 0 CGADMP CC1([NH2+]Cc2cnc(-c3ccsc3)s2)CC[NH2+]CC1 ZINC000414946306 380501938 /nfs/dbraw/zinc/50/19/38/380501938.db2.gz SXIQKKCOUDFVQX-UHFFFAOYSA-N 2 1 293.461 3.103 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000415032425 380505726 /nfs/dbraw/zinc/50/57/26/380505726.db2.gz ALYVJFBPHCHEHB-AWEZNQCLSA-N 2 1 286.341 3.313 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+]CC2CCCCCC2)c1 ZINC000414871932 380466841 /nfs/dbraw/zinc/46/68/41/380466841.db2.gz FGWIAEIGEQIRNG-UHFFFAOYSA-N 2 1 275.440 3.121 20 0 CGADMP C[C@H](CC[NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000414888890 380476255 /nfs/dbraw/zinc/47/62/55/380476255.db2.gz YHEFEUHRKCBLLA-QGZVFWFLSA-N 2 1 297.446 3.345 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414890948 380476464 /nfs/dbraw/zinc/47/64/64/380476464.db2.gz VTZONDFOVVMCTJ-IXDOHACOSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000417339561 380597977 /nfs/dbraw/zinc/59/79/77/380597977.db2.gz OISNMJWFQYQHPA-BPQIPLTHSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000417339561 380597981 /nfs/dbraw/zinc/59/79/81/380597981.db2.gz OISNMJWFQYQHPA-BPQIPLTHSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC1 ZINC000356862472 380906704 /nfs/dbraw/zinc/90/67/04/380906704.db2.gz ZVOHOFXEZZLCQZ-RHSMWYFYSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC1 ZINC000356862472 380906716 /nfs/dbraw/zinc/90/67/16/380906716.db2.gz ZVOHOFXEZZLCQZ-RHSMWYFYSA-N 2 1 258.409 3.039 20 0 CGADMP CC[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000421372313 380910963 /nfs/dbraw/zinc/91/09/63/380910963.db2.gz FQHFNAOVZGSTND-OAHLLOKOSA-N 2 1 292.442 3.468 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000334842025 207170471 /nfs/dbraw/zinc/17/04/71/207170471.db2.gz IUDDYDPVNZMAAC-OAHLLOKOSA-N 2 1 276.355 3.050 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000360700233 381621255 /nfs/dbraw/zinc/62/12/55/381621255.db2.gz BEZSDGVUNYVKKY-CLCXKQKWSA-N 2 1 297.446 3.096 20 0 CGADMP C[N@H+]1CCCC[C@H]1CCN1Cc2ccccc2C2(CC2)C1 ZINC000360708181 381624382 /nfs/dbraw/zinc/62/43/82/381624382.db2.gz QNLHMDLRMQVCEN-KRWDZBQOSA-N 2 1 284.447 3.408 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708181 381624406 /nfs/dbraw/zinc/62/44/06/381624406.db2.gz QNLHMDLRMQVCEN-KRWDZBQOSA-N 2 1 284.447 3.408 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708181 381624411 /nfs/dbraw/zinc/62/44/11/381624411.db2.gz QNLHMDLRMQVCEN-KRWDZBQOSA-N 2 1 284.447 3.408 20 0 CGADMP CCCOc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221785749 542287675 /nfs/dbraw/zinc/28/76/75/542287675.db2.gz UZFDGEMPKPXLOZ-UHFFFAOYSA-N 2 1 278.440 3.295 20 0 CGADMP CCCOc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221785749 542287679 /nfs/dbraw/zinc/28/76/79/542287679.db2.gz UZFDGEMPKPXLOZ-UHFFFAOYSA-N 2 1 278.440 3.295 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000361345533 381709240 /nfs/dbraw/zinc/70/92/40/381709240.db2.gz JBCHIOHHXHREAX-GOEBONIOSA-N 2 1 290.476 3.241 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361397950 381731257 /nfs/dbraw/zinc/73/12/57/381731257.db2.gz ZOJFFAMYRPJRIB-RCCFBDPRSA-N 2 1 272.436 3.206 20 0 CGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361460152 381754603 /nfs/dbraw/zinc/75/46/03/381754603.db2.gz RYFRAGGEYMPOIN-BQFCYCMXSA-N 2 1 290.451 3.054 20 0 CGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361460152 381754606 /nfs/dbraw/zinc/75/46/06/381754606.db2.gz RYFRAGGEYMPOIN-BQFCYCMXSA-N 2 1 290.451 3.054 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000245872701 542324051 /nfs/dbraw/zinc/32/40/51/542324051.db2.gz ADDPCEMPKFULOD-KGLIPLIRSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000245872701 542324054 /nfs/dbraw/zinc/32/40/54/542324054.db2.gz ADDPCEMPKFULOD-KGLIPLIRSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000245872701 542324059 /nfs/dbraw/zinc/32/40/59/542324059.db2.gz ADDPCEMPKFULOD-KGLIPLIRSA-N 2 1 278.444 3.023 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000251946492 542348654 /nfs/dbraw/zinc/34/86/54/542348654.db2.gz WKQZPDJLZGFKRJ-WCVJEAGWSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000252414829 542349440 /nfs/dbraw/zinc/34/94/40/542349440.db2.gz JTFXPRLYXLVHTH-QZTJIDSGSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423453734 532975594 /nfs/dbraw/zinc/97/55/94/532975594.db2.gz XZGIODRBAOVLTL-MCIONIFRSA-N 2 1 269.392 3.135 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000280891797 195017160 /nfs/dbraw/zinc/01/71/60/195017160.db2.gz QBENQSJRHMDUJH-GRDNDAEWSA-N 2 1 292.492 3.269 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335345891 208241212 /nfs/dbraw/zinc/24/12/12/208241212.db2.gz QUQUIAQVTQGDHQ-OLZOCXBDSA-N 2 1 255.365 3.083 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335345893 208241478 /nfs/dbraw/zinc/24/14/78/208241478.db2.gz QUQUIAQVTQGDHQ-STQMWFEESA-N 2 1 255.365 3.083 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000353749420 220300192 /nfs/dbraw/zinc/30/01/92/220300192.db2.gz SUCCGHAXTIDINZ-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000353749420 220300196 /nfs/dbraw/zinc/30/01/96/220300196.db2.gz SUCCGHAXTIDINZ-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000353749420 220300201 /nfs/dbraw/zinc/30/02/01/220300201.db2.gz SUCCGHAXTIDINZ-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000353749420 220300204 /nfs/dbraw/zinc/30/02/04/220300204.db2.gz SUCCGHAXTIDINZ-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000350510714 219031995 /nfs/dbraw/zinc/03/19/95/219031995.db2.gz IOFYWDSWYFXVAQ-ROUUACIJSA-N 2 1 272.436 3.069 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289056791 197223054 /nfs/dbraw/zinc/22/30/54/197223054.db2.gz AFSMMXUDIOXVPH-SJDLMVEWSA-N 2 1 294.389 3.394 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289056791 197223056 /nfs/dbraw/zinc/22/30/56/197223056.db2.gz AFSMMXUDIOXVPH-SJDLMVEWSA-N 2 1 294.389 3.394 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423501722 533176729 /nfs/dbraw/zinc/17/67/29/533176729.db2.gz LNDQQMMUBNTWPP-QWQRMKEZSA-N 2 1 290.451 3.294 20 0 CGADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000446759118 285234835 /nfs/dbraw/zinc/23/48/35/285234835.db2.gz NMRLBDKWOAZIKO-SJLPKXTDSA-N 2 1 296.499 3.293 20 0 CGADMP C/C=C/C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309724573 542426608 /nfs/dbraw/zinc/42/66/08/542426608.db2.gz PDYGBRBGTKPYTC-JUPLKNRCSA-N 2 1 258.409 3.063 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc2n1 ZINC000334375214 542456101 /nfs/dbraw/zinc/45/61/01/542456101.db2.gz UUBAKQPJZFNCRH-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(CC)CC ZINC000339068179 542486172 /nfs/dbraw/zinc/48/61/72/542486172.db2.gz LXOBKOKATWNBSU-LTIDMASMSA-N 2 1 294.483 3.187 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CC[C@H]1C1CC1)C2 ZINC000348088225 542513724 /nfs/dbraw/zinc/51/37/24/542513724.db2.gz QUKHOGJXJOYAJA-RBUKOAKNSA-N 2 1 284.447 3.213 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CC[C@H]1C1CC1)C2 ZINC000348088225 542513729 /nfs/dbraw/zinc/51/37/29/542513729.db2.gz QUKHOGJXJOYAJA-RBUKOAKNSA-N 2 1 284.447 3.213 20 0 CGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)CCOC)CC1)CC1CC1 ZINC000357089919 542574055 /nfs/dbraw/zinc/57/40/55/542574055.db2.gz UVKPEMPHHOSUKH-INIZCTEOSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000250701769 572555347 /nfs/dbraw/zinc/55/53/47/572555347.db2.gz ODTPGDWUQNWNBB-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(O)c1 ZINC000281624825 195313122 /nfs/dbraw/zinc/31/31/22/195313122.db2.gz CNMACZZRSXCLQW-ZDUSSCGKSA-N 2 1 274.408 3.060 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414071911 533420196 /nfs/dbraw/zinc/42/01/96/533420196.db2.gz LBSFVOQVLPIJRZ-FPAYPSAMSA-N 2 1 286.463 3.185 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423328865 533431180 /nfs/dbraw/zinc/43/11/80/533431180.db2.gz SNBMNGLUXWZDFG-RNCFNFMXSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(OC(F)F)c1 ZINC000424375351 533520290 /nfs/dbraw/zinc/52/02/90/533520290.db2.gz MXQFPGRWQCUIHC-LERXQTSPSA-N 2 1 284.350 3.209 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449100831 533468865 /nfs/dbraw/zinc/46/88/65/533468865.db2.gz CKYUVDKRRJFKDC-HRCADAONSA-N 2 1 284.488 3.290 20 0 CGADMP C[C@@H](CCc1c(F)cccc1F)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512948 533652075 /nfs/dbraw/zinc/65/20/75/533652075.db2.gz QVNWFPZFTSLGIE-IIYDPXPESA-N 2 1 296.405 3.203 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390722808 542610963 /nfs/dbraw/zinc/61/09/63/542610963.db2.gz OSNGRMIXQXPFBQ-RDJZCZTQSA-N 2 1 272.436 3.287 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411291710 542630269 /nfs/dbraw/zinc/63/02/69/542630269.db2.gz CRGOOTFARISCCW-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000414169233 542634004 /nfs/dbraw/zinc/63/40/04/542634004.db2.gz AXMHOVZMMWRERJ-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CCO1 ZINC000070345376 392180978 /nfs/dbraw/zinc/18/09/78/392180978.db2.gz RCZNTONXMPYJSO-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@@H+](Cc1ccc2c(c1)CCC2)C1CC[NH2+]CC1 ZINC000070499592 392183830 /nfs/dbraw/zinc/18/38/30/392183830.db2.gz UNGUEWKVSSBPSF-UHFFFAOYSA-N 2 1 272.436 3.139 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000071160974 392188086 /nfs/dbraw/zinc/18/80/86/392188086.db2.gz GRTGBMOEMAFDDB-CJNGLKHVSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CC[N@@H+](CC[C@H](C)[NH+]2CC[C@H](CC)C2)C1 ZINC000431613837 542652944 /nfs/dbraw/zinc/65/29/44/542652944.db2.gz JRVMTFZMSZJBFL-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@H](CC)C2)C1 ZINC000431613837 542652947 /nfs/dbraw/zinc/65/29/47/542652947.db2.gz JRVMTFZMSZJBFL-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@H](CC)C2)C1 ZINC000431613837 542652949 /nfs/dbraw/zinc/65/29/49/542652949.db2.gz JRVMTFZMSZJBFL-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000107775436 392328808 /nfs/dbraw/zinc/32/88/08/392328808.db2.gz UZOWCGVAFVXFBE-DLBZAZTESA-N 2 1 288.435 3.190 20 0 CGADMP COC1CC[NH+](C2(C[NH2+]CC3(C)CCC3)CCCC2)CC1 ZINC000434780221 542656714 /nfs/dbraw/zinc/65/67/14/542656714.db2.gz YQCKMOAQSHCIHY-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000125389564 392439429 /nfs/dbraw/zinc/43/94/29/392439429.db2.gz VNZVBHVIHVMEOM-JQHSSLGASA-N 2 1 272.436 3.171 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2F)CC[N@H+]1C ZINC000133811366 392464890 /nfs/dbraw/zinc/46/48/90/392464890.db2.gz MBDSBTOYIAWXBS-KBPBESRZSA-N 2 1 278.415 3.176 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398731 392507389 /nfs/dbraw/zinc/50/73/89/392507389.db2.gz WZZLPHPVKTZSLD-KBXCAEBGSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158705378 392573938 /nfs/dbraw/zinc/57/39/38/392573938.db2.gz IQQKWOYMQXWLAJ-FRFSOERESA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158705378 392573945 /nfs/dbraw/zinc/57/39/45/392573945.db2.gz IQQKWOYMQXWLAJ-FRFSOERESA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158705378 392573951 /nfs/dbraw/zinc/57/39/51/392573951.db2.gz IQQKWOYMQXWLAJ-FRFSOERESA-N 2 1 276.399 3.303 20 0 CGADMP Cc1nccn1CCCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000161764883 392586153 /nfs/dbraw/zinc/58/61/53/392586153.db2.gz JORBISRTNPQSHM-AWEZNQCLSA-N 2 1 287.407 3.370 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000161764883 392586158 /nfs/dbraw/zinc/58/61/58/392586158.db2.gz JORBISRTNPQSHM-AWEZNQCLSA-N 2 1 287.407 3.370 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000161764883 392586164 /nfs/dbraw/zinc/58/61/64/392586164.db2.gz JORBISRTNPQSHM-AWEZNQCLSA-N 2 1 287.407 3.370 20 0 CGADMP CCOc1ccccc1CN(C)CC[C@H]1CCC[N@H+]1C ZINC000161896826 392588241 /nfs/dbraw/zinc/58/82/41/392588241.db2.gz BGDMBSJUEURXMQ-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP C[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1C[NH3+] ZINC000163969849 392605551 /nfs/dbraw/zinc/60/55/51/392605551.db2.gz UPQZMBFRJLSSFS-NEPJUHHUSA-N 2 1 289.810 3.309 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000647325829 392669619 /nfs/dbraw/zinc/66/96/19/392669619.db2.gz QOYRPELLGPSYER-HPBDAGMYSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@H]1SCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000178974347 392685547 /nfs/dbraw/zinc/68/55/47/392685547.db2.gz BSMCORQUGSZHNB-PBHICJAKSA-N 2 1 290.476 3.165 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343356 392692921 /nfs/dbraw/zinc/69/29/21/392692921.db2.gz MUDUEAAQUAJWMX-ONIAQPFYSA-N 2 1 274.452 3.356 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479730 392734701 /nfs/dbraw/zinc/73/47/01/392734701.db2.gz RCCLHQRYKZXDAE-QAPCUYQASA-N 2 1 290.426 3.352 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479730 392734708 /nfs/dbraw/zinc/73/47/08/392734708.db2.gz RCCLHQRYKZXDAE-QAPCUYQASA-N 2 1 290.426 3.352 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1C ZINC000647482926 392736926 /nfs/dbraw/zinc/73/69/26/392736926.db2.gz KDESBZABGOVUBU-UHFFFAOYSA-N 2 1 272.436 3.328 20 0 CGADMP C[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647482540 392738105 /nfs/dbraw/zinc/73/81/05/392738105.db2.gz NJWJWKYYACIYJR-ZDUSSCGKSA-N 2 1 276.399 3.146 20 0 CGADMP CCCCOc1ccccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531040 392752172 /nfs/dbraw/zinc/75/21/72/392752172.db2.gz YAKJQKATTBXZNP-UHFFFAOYSA-N 2 1 276.424 3.179 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000647531426 392753358 /nfs/dbraw/zinc/75/33/58/392753358.db2.gz WCRRHZHLYFFFAZ-UHFFFAOYSA-N 2 1 288.435 3.321 20 0 CGADMP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000647539096 392758124 /nfs/dbraw/zinc/75/81/24/392758124.db2.gz WKANVDAHTWQOCQ-MRXNPFEDSA-N 2 1 296.817 3.097 20 0 CGADMP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000647539096 392758136 /nfs/dbraw/zinc/75/81/36/392758136.db2.gz WKANVDAHTWQOCQ-MRXNPFEDSA-N 2 1 296.817 3.097 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543948 392759628 /nfs/dbraw/zinc/75/96/28/392759628.db2.gz USSISITWMOSUFD-LSDHHAIUSA-N 2 1 278.465 3.268 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543637 392759908 /nfs/dbraw/zinc/75/99/08/392759908.db2.gz QTJYAZQHMQKHPF-CVLYKSAASA-N 2 1 284.447 3.411 20 0 CGADMP Clc1cscc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545743 392762248 /nfs/dbraw/zinc/76/22/48/392762248.db2.gz LBYHAQVCMJPCLW-RYUDHWBXSA-N 2 1 284.856 3.223 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2cccc(C)c2)C1 ZINC000181135851 392722348 /nfs/dbraw/zinc/72/23/48/392722348.db2.gz ZMTOVEWYWDNSGR-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000375455647 392783335 /nfs/dbraw/zinc/78/33/35/392783335.db2.gz CKPVYLTUSWEWGW-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000375511587 392787136 /nfs/dbraw/zinc/78/71/36/392787136.db2.gz OZFZKXHCXLZXBQ-UHFFFAOYSA-N 2 1 290.476 3.469 20 0 CGADMP CCCCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647872615 392819016 /nfs/dbraw/zinc/81/90/16/392819016.db2.gz IGONEFANPDOXGJ-MRXNPFEDSA-N 2 1 278.415 3.427 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647874638 392821186 /nfs/dbraw/zinc/82/11/86/392821186.db2.gz IMHLDXWVOKSQSX-STQMWFEESA-N 2 1 258.365 3.035 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000510966794 392821563 /nfs/dbraw/zinc/82/15/63/392821563.db2.gz JETVNZITYRAYFC-RDJZCZTQSA-N 2 1 290.451 3.177 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000510966794 392821567 /nfs/dbraw/zinc/82/15/67/392821567.db2.gz JETVNZITYRAYFC-RDJZCZTQSA-N 2 1 290.451 3.177 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647884151 392824215 /nfs/dbraw/zinc/82/42/15/392824215.db2.gz UPHJSAFNAKHENN-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCC[NH2+]CCC1CCOCC1)C1CCCCC1 ZINC000381239908 392907660 /nfs/dbraw/zinc/90/76/60/392907660.db2.gz ZLVZQOXXAGMDQL-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000647991891 392859198 /nfs/dbraw/zinc/85/91/98/392859198.db2.gz AIAHKUYXUMXJSC-MFKMUULPSA-N 2 1 290.304 3.018 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674160 392880446 /nfs/dbraw/zinc/88/04/46/392880446.db2.gz WHUPDEJGMXRPBX-FCGDIQPGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674160 392880448 /nfs/dbraw/zinc/88/04/48/392880448.db2.gz WHUPDEJGMXRPBX-FCGDIQPGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674160 392880451 /nfs/dbraw/zinc/88/04/51/392880451.db2.gz WHUPDEJGMXRPBX-FCGDIQPGSA-N 2 1 284.447 3.206 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000514090887 542733640 /nfs/dbraw/zinc/73/36/40/542733640.db2.gz WYRTVDWODKGWSJ-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1SC ZINC000194848603 392941315 /nfs/dbraw/zinc/94/13/15/392941315.db2.gz HEBNYFPIMLRXSV-CQSZACIVSA-N 2 1 296.480 3.027 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000525869798 542740681 /nfs/dbraw/zinc/74/06/81/542740681.db2.gz YONDZOLVGXMPRT-ZIAGYGMSSA-N 2 1 266.404 3.249 20 0 CGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459505032 392946213 /nfs/dbraw/zinc/94/62/13/392946213.db2.gz IQWCSVRYZMVDAE-CYBMUJFWSA-N 2 1 278.362 3.180 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C[C@H]1c1ccccc1 ZINC000340266313 392968280 /nfs/dbraw/zinc/96/82/80/392968280.db2.gz XEMLEACVUHYIIT-BBWFWOEESA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C[C@H]1c1ccccc1 ZINC000340266313 392968283 /nfs/dbraw/zinc/96/82/83/392968283.db2.gz XEMLEACVUHYIIT-BBWFWOEESA-N 2 1 290.476 3.307 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@H]3c3cccc(F)c3)CC[C@@H]21 ZINC000411323236 392981536 /nfs/dbraw/zinc/98/15/36/392981536.db2.gz JEXMOMUKIVCAFD-UBDQQSCGSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]3c3cccc(F)c3)CC[C@@H]21 ZINC000411323236 392981540 /nfs/dbraw/zinc/98/15/40/392981540.db2.gz JEXMOMUKIVCAFD-UBDQQSCGSA-N 2 1 288.410 3.098 20 0 CGADMP C[C@H]([NH+](C)CCOCC[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000343747463 393032477 /nfs/dbraw/zinc/03/24/77/393032477.db2.gz VJRUDJONFVWTIP-HOTGVXAUSA-N 2 1 296.499 3.244 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415039589 393108678 /nfs/dbraw/zinc/10/86/78/393108678.db2.gz JFGRJBTZZZGUEL-XJKSGUPXSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415039589 393108686 /nfs/dbraw/zinc/10/86/86/393108686.db2.gz JFGRJBTZZZGUEL-XJKSGUPXSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@@H]1[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C[C@@H]1c1ccccc1 ZINC000415003951 393087586 /nfs/dbraw/zinc/08/75/86/393087586.db2.gz PPTOSEJFOLZZGM-DRPJVOAASA-N 2 1 294.389 3.013 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC000415009974 393093787 /nfs/dbraw/zinc/09/37/87/393093787.db2.gz XXJJUOYFPFUWNA-UPJWGTAASA-N 2 1 274.399 3.036 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000547279472 393101090 /nfs/dbraw/zinc/10/10/90/393101090.db2.gz QUMROTKOGRLIDZ-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414652003 393049998 /nfs/dbraw/zinc/04/99/98/393049998.db2.gz CTAVCJKMMWMVPC-QAPCUYQASA-N 2 1 274.452 3.412 20 0 CGADMP C1=CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246088000 393051590 /nfs/dbraw/zinc/05/15/90/393051590.db2.gz IKGAFDHMGLYAOG-XYJFISCASA-N 2 1 274.452 3.291 20 0 CGADMP C1=CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246088000 393051595 /nfs/dbraw/zinc/05/15/95/393051595.db2.gz IKGAFDHMGLYAOG-XYJFISCASA-N 2 1 274.452 3.291 20 0 CGADMP C1=CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246088000 393051599 /nfs/dbraw/zinc/05/15/99/393051599.db2.gz IKGAFDHMGLYAOG-XYJFISCASA-N 2 1 274.452 3.291 20 0 CGADMP CCC(CC)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000414874038 393056678 /nfs/dbraw/zinc/05/66/78/393056678.db2.gz APXUOMYDVUMRQE-QZTJIDSGSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[NH2+]1 ZINC000414949112 393058038 /nfs/dbraw/zinc/05/80/38/393058038.db2.gz NAGJZLAUSLQCAR-JSGCOSHPSA-N 2 1 287.432 3.040 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccccc32)CC[N@@H+]1C ZINC000247046130 393070253 /nfs/dbraw/zinc/07/02/53/393070253.db2.gz MZULWBYKCPZSLT-IPYPFGDCSA-N 2 1 276.449 3.296 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccccc32)CC[N@H+]1C ZINC000247046130 393070255 /nfs/dbraw/zinc/07/02/55/393070255.db2.gz MZULWBYKCPZSLT-IPYPFGDCSA-N 2 1 276.449 3.296 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415035658 393107470 /nfs/dbraw/zinc/10/74/70/393107470.db2.gz DZNQKYDYFVGARG-WBVHZDCISA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415035662 393107645 /nfs/dbraw/zinc/10/76/45/393107645.db2.gz FAQSBRDCUUDPGF-PBHICJAKSA-N 2 1 276.399 3.098 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000415057248 393120466 /nfs/dbraw/zinc/12/04/66/393120466.db2.gz ROGPJHCKGXMBPL-GFCCVEGCSA-N 2 1 290.329 3.048 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063040 393122207 /nfs/dbraw/zinc/12/22/07/393122207.db2.gz GQZGUSIUZRWMNP-MAUKXSAKSA-N 2 1 274.452 3.362 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415067393 393126923 /nfs/dbraw/zinc/12/69/23/393126923.db2.gz PBFNCAMUALWCOA-QAPCUYQASA-N 2 1 274.452 3.423 20 0 CGADMP Clc1ccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000415078455 393132368 /nfs/dbraw/zinc/13/23/68/393132368.db2.gz IPGWUMPOBICEPD-HNNXBMFYSA-N 2 1 278.827 3.103 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415080270 393133874 /nfs/dbraw/zinc/13/38/74/393133874.db2.gz JEHKGNZFIMZWBN-MOPGFXCFSA-N 2 1 298.405 3.451 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000415103218 393144935 /nfs/dbraw/zinc/14/49/35/393144935.db2.gz CULRSVAJNQFTBO-YJBOKZPZSA-N 2 1 295.430 3.165 20 0 CGADMP FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CC[NH2+]C3)CCC2)c1 ZINC000415101423 393145143 /nfs/dbraw/zinc/14/51/43/393145143.db2.gz ILHHUQZIIANUSC-AWEZNQCLSA-N 2 1 298.352 3.079 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)c(C)c1 ZINC000262137851 393145110 /nfs/dbraw/zinc/14/51/10/393145110.db2.gz YVWGDTWJQZOMCU-AEFFLSMTSA-N 2 1 272.436 3.092 20 0 CGADMP C[C@]1(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)CC[NH2+]C1 ZINC000415124120 393151695 /nfs/dbraw/zinc/15/16/95/393151695.db2.gz NXLDSDJAFLQTNJ-MSOLQXFVSA-N 2 1 284.447 3.256 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc2s1 ZINC000415128523 393153586 /nfs/dbraw/zinc/15/35/86/393153586.db2.gz OFOLQLLZHVBXCW-FZMZJTMJSA-N 2 1 289.448 3.021 20 0 CGADMP CCC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000351595442 393193065 /nfs/dbraw/zinc/19/30/65/393193065.db2.gz KSVPQSKQGCZIIZ-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCCO1 ZINC000351595442 393193068 /nfs/dbraw/zinc/19/30/68/393193068.db2.gz KSVPQSKQGCZIIZ-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000351595442 393193071 /nfs/dbraw/zinc/19/30/71/393193071.db2.gz KSVPQSKQGCZIIZ-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000268924987 393207660 /nfs/dbraw/zinc/20/76/60/393207660.db2.gz RELFGHYUABTTOF-WWGRRREGSA-N 2 1 264.388 3.002 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000469798613 393216324 /nfs/dbraw/zinc/21/63/24/393216324.db2.gz GTPPPJTYQOIEOI-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000469798613 393216331 /nfs/dbraw/zinc/21/63/31/393216331.db2.gz GTPPPJTYQOIEOI-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP CC1CCC(C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355412054 393310769 /nfs/dbraw/zinc/31/07/69/393310769.db2.gz APWQVXXLLCVQNZ-GMRIPVOYSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272437775 393261060 /nfs/dbraw/zinc/26/10/60/393261060.db2.gz IGJGKEBEEBSZDH-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP CCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272437781 393261723 /nfs/dbraw/zinc/26/17/23/393261723.db2.gz IGJGKEBEEBSZDH-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP C1=CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647191862 393377513 /nfs/dbraw/zinc/37/75/13/393377513.db2.gz DOTJCFDIJSFLJA-SFHVURJKSA-N 2 1 282.431 3.492 20 0 CGADMP C1=CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647191862 393377520 /nfs/dbraw/zinc/37/75/20/393377520.db2.gz DOTJCFDIJSFLJA-SFHVURJKSA-N 2 1 282.431 3.492 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(SC)CCC1 ZINC000356312353 393417950 /nfs/dbraw/zinc/41/79/50/393417950.db2.gz CEIYUKBJQKMBGQ-UHFFFAOYSA-N 2 1 295.496 3.443 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(SC)CCC1 ZINC000356312353 393417955 /nfs/dbraw/zinc/41/79/55/393417955.db2.gz CEIYUKBJQKMBGQ-UHFFFAOYSA-N 2 1 295.496 3.443 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000479438640 393432750 /nfs/dbraw/zinc/43/27/50/393432750.db2.gz QRRNXKQHWZKGKU-ZJIFWQFVSA-N 2 1 250.430 3.051 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000480609566 393435866 /nfs/dbraw/zinc/43/58/66/393435866.db2.gz LQFVHNARJFCPJW-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000481577101 393437807 /nfs/dbraw/zinc/43/78/07/393437807.db2.gz SHKJSWGISHTPCD-CTASWTNQSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000481577101 393437810 /nfs/dbraw/zinc/43/78/10/393437810.db2.gz SHKJSWGISHTPCD-CTASWTNQSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420294153 393451957 /nfs/dbraw/zinc/45/19/57/393451957.db2.gz ARTNRDXSIILVSL-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@]1(c2ccccc2)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420296067 393454279 /nfs/dbraw/zinc/45/42/79/393454279.db2.gz CZGXMRQRNRWGJW-FUHWJXTLSA-N 2 1 272.436 3.040 20 0 CGADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1c(F)cccc1Cl ZINC000420302271 393455482 /nfs/dbraw/zinc/45/54/82/393455482.db2.gz JKSMXDIBBWABGY-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1c(F)cccc1Cl ZINC000420302271 393455488 /nfs/dbraw/zinc/45/54/88/393455488.db2.gz JKSMXDIBBWABGY-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420300471 393455761 /nfs/dbraw/zinc/45/57/61/393455761.db2.gz HNHMEAGZMGNNPC-QGZVFWFLSA-N 2 1 290.451 3.085 20 0 CGADMP Fc1ccc(CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420304399 393457368 /nfs/dbraw/zinc/45/73/68/393457368.db2.gz OJJAUOUQSCYIRL-MRXNPFEDSA-N 2 1 290.426 3.222 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000428283905 393460683 /nfs/dbraw/zinc/46/06/83/393460683.db2.gz JLOXUHTVIFVIRP-HJWJTTGWSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000428283905 393460689 /nfs/dbraw/zinc/46/06/89/393460689.db2.gz JLOXUHTVIFVIRP-HJWJTTGWSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000428283905 393460696 /nfs/dbraw/zinc/46/06/96/393460696.db2.gz JLOXUHTVIFVIRP-HJWJTTGWSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000428283905 393460703 /nfs/dbraw/zinc/46/07/03/393460703.db2.gz JLOXUHTVIFVIRP-HJWJTTGWSA-N 2 1 264.457 3.393 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000420321811 393465446 /nfs/dbraw/zinc/46/54/46/393465446.db2.gz RWYBJOUYMUGBPO-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H](C)C1 ZINC000429023853 393465473 /nfs/dbraw/zinc/46/54/73/393465473.db2.gz WFSWUDXUOQLXDU-VSZNYVQBSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H]1C[C@H](CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H](C)C1 ZINC000429023853 393465482 /nfs/dbraw/zinc/46/54/82/393465482.db2.gz WFSWUDXUOQLXDU-VSZNYVQBSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H]1C[C@H](CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H](C)C1 ZINC000429023853 393465489 /nfs/dbraw/zinc/46/54/89/393465489.db2.gz WFSWUDXUOQLXDU-VSZNYVQBSA-N 2 1 278.484 3.476 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321096 393465690 /nfs/dbraw/zinc/46/56/90/393465690.db2.gz CHKKJMSHUWRDEC-OALUTQOASA-N 2 1 286.463 3.249 20 0 CGADMP Cc1csc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420322063 393466198 /nfs/dbraw/zinc/46/61/98/393466198.db2.gz RZCMTUUPPZOKLP-CABCVRRESA-N 2 1 293.480 3.021 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2CC(C)C)cc1 ZINC000420326260 393468155 /nfs/dbraw/zinc/46/81/55/393468155.db2.gz XBYAPQOGWKMASI-IAGOWNOFSA-N 2 1 290.451 3.248 20 0 CGADMP c1ccc(SCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420332522 393470622 /nfs/dbraw/zinc/47/06/22/393470622.db2.gz RTZNARIDCZMHGT-HOTGVXAUSA-N 2 1 290.476 3.100 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000420367646 393476461 /nfs/dbraw/zinc/47/64/61/393476461.db2.gz MZWIYRVJKRHZLJ-BQGCOEIASA-N 2 1 258.409 3.040 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)c(F)c1 ZINC000420370002 393476627 /nfs/dbraw/zinc/47/66/27/393476627.db2.gz JHRVOVXJPBGVLZ-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H]1C[C@H]1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488357614 393495900 /nfs/dbraw/zinc/49/59/00/393495900.db2.gz VWAXLTSGVRZEQS-RDJZCZTQSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488357614 393495906 /nfs/dbraw/zinc/49/59/06/393495906.db2.gz VWAXLTSGVRZEQS-RDJZCZTQSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1C[C@@H]1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488357612 393496411 /nfs/dbraw/zinc/49/64/11/393496411.db2.gz VWAXLTSGVRZEQS-DOTOQJQBSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488357612 393496413 /nfs/dbraw/zinc/49/64/13/393496413.db2.gz VWAXLTSGVRZEQS-DOTOQJQBSA-N 2 1 272.436 3.239 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000488409025 393501436 /nfs/dbraw/zinc/50/14/36/393501436.db2.gz QXPUTNAPFHDESX-QVOMUQBLSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000488409025 393501442 /nfs/dbraw/zinc/50/14/42/393501442.db2.gz QXPUTNAPFHDESX-QVOMUQBLSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCSc1ccc(Cl)cc1 ZINC000430553835 393574631 /nfs/dbraw/zinc/57/46/31/393574631.db2.gz PNAMALHZLOGUEO-AWEZNQCLSA-N 2 1 286.872 3.395 20 0 CGADMP C[C@](C[NH3+])([NH2+]CCCOc1ccc2ccccc2c1)C1CC1 ZINC000430593540 393579708 /nfs/dbraw/zinc/57/97/08/393579708.db2.gz DZBUUVSSTCWRRK-LJQANCHMSA-N 2 1 298.430 3.326 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430607543 393579720 /nfs/dbraw/zinc/57/97/20/393579720.db2.gz CKOCZOQEKZFNGE-HNNXBMFYSA-N 2 1 297.402 3.045 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430607543 393579728 /nfs/dbraw/zinc/57/97/28/393579728.db2.gz CKOCZOQEKZFNGE-HNNXBMFYSA-N 2 1 297.402 3.045 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430661587 393584202 /nfs/dbraw/zinc/58/42/02/393584202.db2.gz GHRQCWPWSLYQBS-LBPRGKRZSA-N 2 1 284.856 3.103 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432415796 393610650 /nfs/dbraw/zinc/61/06/50/393610650.db2.gz DMELEPDDQLXIGP-IAGOWNOFSA-N 2 1 282.472 3.212 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432415796 393610654 /nfs/dbraw/zinc/61/06/54/393610654.db2.gz DMELEPDDQLXIGP-IAGOWNOFSA-N 2 1 282.472 3.212 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360984940 393630245 /nfs/dbraw/zinc/63/02/45/393630245.db2.gz SRGNOKWCMHXCNS-BMFZPTHFSA-N 2 1 278.465 3.286 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H]1CCc2cccnc2CC1)C(C)C ZINC000421799797 393633156 /nfs/dbraw/zinc/63/31/56/393633156.db2.gz FQQDHEGKDUVRFD-KRWDZBQOSA-N 2 1 289.467 3.037 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423259702 393656365 /nfs/dbraw/zinc/65/63/65/393656365.db2.gz FQEBDXVQUIJPLU-WCQYABFASA-N 2 1 266.454 3.261 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423287411 393659197 /nfs/dbraw/zinc/65/91/97/393659197.db2.gz MCMZQMDKSCKSRM-OAHLLOKOSA-N 2 1 276.424 3.351 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423474586 393670146 /nfs/dbraw/zinc/67/01/46/393670146.db2.gz RKWFJSVBUFDIPR-IINYFYTJSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC(C)(C)C2)C1 ZINC000433133283 393689204 /nfs/dbraw/zinc/68/92/04/393689204.db2.gz DPGLOLGWKOXXHI-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000433234993 393702030 /nfs/dbraw/zinc/70/20/30/393702030.db2.gz UIQDFLCXZQPVRV-KGLIPLIRSA-N 2 1 264.457 3.418 20 0 CGADMP CN1CC[C@@H]2CC[N@@H+](Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125703 393778012 /nfs/dbraw/zinc/77/80/12/393778012.db2.gz BSJHUAZVOZHWNZ-CZUORRHYSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@@H+]1CC[C@@H]2CCN(Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125703 393778015 /nfs/dbraw/zinc/77/80/15/393778015.db2.gz BSJHUAZVOZHWNZ-CZUORRHYSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@H+]1CC[C@@H]2CCN(Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125703 393778017 /nfs/dbraw/zinc/77/80/17/393778017.db2.gz BSJHUAZVOZHWNZ-CZUORRHYSA-N 2 1 286.444 3.427 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC2CCOCC2)[C@@H](C)C1 ZINC000499547214 393800276 /nfs/dbraw/zinc/80/02/76/393800276.db2.gz HQUHNMQATZOZPL-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC2CCOCC2)[C@@H](C)C1 ZINC000499547214 393800280 /nfs/dbraw/zinc/80/02/80/393800280.db2.gz HQUHNMQATZOZPL-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000500419176 393827888 /nfs/dbraw/zinc/82/78/88/393827888.db2.gz FXBBJFZSTLQEGC-OAHLLOKOSA-N 2 1 290.451 3.079 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448073603 393868751 /nfs/dbraw/zinc/86/87/51/393868751.db2.gz DOCJSYXJGLEHRW-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000448073603 393868760 /nfs/dbraw/zinc/86/87/60/393868760.db2.gz DOCJSYXJGLEHRW-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502914829 393887928 /nfs/dbraw/zinc/88/79/28/393887928.db2.gz RDHRXSXQZQIHIB-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@@H](CCc1ccsc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560091 393903893 /nfs/dbraw/zinc/90/38/93/393903893.db2.gz FXTWJDQLLZZXCW-WWTUQBGBSA-N 2 1 278.465 3.284 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2CC)CC1 ZINC000501452424 393853184 /nfs/dbraw/zinc/85/31/84/393853184.db2.gz KSBDKWYTDFAQLG-UHFFFAOYSA-N 2 1 290.451 3.222 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998245 542834791 /nfs/dbraw/zinc/83/47/91/542834791.db2.gz JJHMQSDSRBXEJS-CQSZACIVSA-N 2 1 270.376 3.197 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998167 542835138 /nfs/dbraw/zinc/83/51/38/542835138.db2.gz GITRPOSFKXGPAQ-CYBMUJFWSA-N 2 1 296.361 3.052 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453056003 394154478 /nfs/dbraw/zinc/15/44/78/394154478.db2.gz KGOVYPJXNWDAHR-KZNAEPCWSA-N 2 1 272.436 3.429 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453056004 394154644 /nfs/dbraw/zinc/15/46/44/394154644.db2.gz KGOVYPJXNWDAHR-RCCFBDPRSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000453060760 394156190 /nfs/dbraw/zinc/15/61/90/394156190.db2.gz OGFOZNOYNBEUCP-KBAYOESNSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000453060760 394156194 /nfs/dbraw/zinc/15/61/94/394156194.db2.gz OGFOZNOYNBEUCP-KBAYOESNSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)c2nccn21 ZINC000453061442 394157021 /nfs/dbraw/zinc/15/70/21/394157021.db2.gz PIVHITOFROOCCP-PMPSAXMXSA-N 2 1 290.455 3.133 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)C ZINC000453213296 394206915 /nfs/dbraw/zinc/20/69/15/394206915.db2.gz ORWLFAOCAZOHJT-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C(C)(C)C ZINC000453213296 394206917 /nfs/dbraw/zinc/20/69/17/394206917.db2.gz ORWLFAOCAZOHJT-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453390680 394229075 /nfs/dbraw/zinc/22/90/75/394229075.db2.gz DAXZERLEUBIZAR-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)c(F)c1 ZINC000453409448 394237683 /nfs/dbraw/zinc/23/76/83/394237683.db2.gz UFNWQSHMNPHDHU-LBPRGKRZSA-N 2 1 282.378 3.490 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453444310 394246368 /nfs/dbraw/zinc/24/63/68/394246368.db2.gz ZEDCAEJSMSEPCZ-MRXNPFEDSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000453441960 394246525 /nfs/dbraw/zinc/24/65/25/394246525.db2.gz XRAKZFGGTBBRLZ-CYBMUJFWSA-N 2 1 264.388 3.351 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453592406 394252465 /nfs/dbraw/zinc/25/24/65/394252465.db2.gz DZWIMOLDPKWBOX-UHFFFAOYSA-N 2 1 290.451 3.222 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)n1C ZINC000667642221 542902882 /nfs/dbraw/zinc/90/28/82/542902882.db2.gz SPIIVMFBISUORM-CQSZACIVSA-N 2 1 263.429 3.377 20 0 CGADMP Fc1ccc(C[C@H]2CC[N@@H+](Cc3cnc4n3CCC4)C2)cc1 ZINC000667642676 542903111 /nfs/dbraw/zinc/90/31/11/542903111.db2.gz GZEKYFHEYXHLPK-OAHLLOKOSA-N 2 1 299.393 3.033 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc21 ZINC000667667712 542912127 /nfs/dbraw/zinc/91/21/27/542912127.db2.gz UIAIOROVPAFTAJ-ZBFHGGJFSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc21 ZINC000667667712 542912130 /nfs/dbraw/zinc/91/21/30/542912130.db2.gz UIAIOROVPAFTAJ-ZBFHGGJFSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc21 ZINC000667667712 542912133 /nfs/dbraw/zinc/91/21/33/542912133.db2.gz UIAIOROVPAFTAJ-ZBFHGGJFSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc21 ZINC000667667712 542912135 /nfs/dbraw/zinc/91/21/35/542912135.db2.gz UIAIOROVPAFTAJ-ZBFHGGJFSA-N 2 1 285.435 3.391 20 0 CGADMP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CC=CCC1 ZINC000667970814 542952173 /nfs/dbraw/zinc/95/21/73/542952173.db2.gz VDUYQMYZGTVTRO-OAHLLOKOSA-N 2 1 282.391 3.055 20 0 CGADMP CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1ccnn1-c1ccncc1 ZINC000668220068 542991572 /nfs/dbraw/zinc/99/15/72/542991572.db2.gz BVUQLIUKANWYRS-QZTJIDSGSA-N 2 1 298.434 3.380 20 0 CGADMP CC(C)[C@@H]1[C@@H](C(C)C)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668220068 542991573 /nfs/dbraw/zinc/99/15/73/542991573.db2.gz BVUQLIUKANWYRS-QZTJIDSGSA-N 2 1 298.434 3.380 20 0 CGADMP CC1=CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000668817823 543066058 /nfs/dbraw/zinc/06/60/58/543066058.db2.gz AIGPJZNOZTXNCT-DLBZAZTESA-N 2 1 262.441 3.197 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(C)(C)C ZINC000670264877 543147197 /nfs/dbraw/zinc/14/71/97/543147197.db2.gz MDYHRUCAAFJJRN-LSDHHAIUSA-N 2 1 252.446 3.086 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)[C@H](C)C1 ZINC000671715986 543180051 /nfs/dbraw/zinc/18/00/51/543180051.db2.gz YVIAENZFEYLNKP-CJNGLKHVSA-N 2 1 272.392 3.253 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000671740814 543184231 /nfs/dbraw/zinc/18/42/31/543184231.db2.gz JVMVXHACGKWWSH-SQNIBIBYSA-N 2 1 286.463 3.427 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000414851048 292096644 /nfs/dbraw/zinc/09/66/44/292096644.db2.gz OIQSOXBQRSZKCM-NVXWUHKLSA-N 2 1 262.441 3.279 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414692616 292109562 /nfs/dbraw/zinc/10/95/62/292109562.db2.gz CVBXVPVWLSNYOJ-BQFCYCMXSA-N 2 1 274.452 3.246 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000302010654 397676132 /nfs/dbraw/zinc/67/61/32/397676132.db2.gz AKGZVXFSNOWHDH-IAGOWNOFSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000302010654 397676136 /nfs/dbraw/zinc/67/61/36/397676136.db2.gz AKGZVXFSNOWHDH-IAGOWNOFSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000394657965 397695742 /nfs/dbraw/zinc/69/57/42/397695742.db2.gz MYZAOCVNQQSBLL-CHWSQXEVSA-N 2 1 262.388 3.117 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000394893302 397696685 /nfs/dbraw/zinc/69/66/85/397696685.db2.gz ZBUDIPFWNMYWBJ-HNNXBMFYSA-N 2 1 260.425 3.459 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CCC1 ZINC000429516761 292125399 /nfs/dbraw/zinc/12/53/99/292125399.db2.gz PQOCQCPEHMLWFA-HRCADAONSA-N 2 1 282.472 3.187 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CCC1 ZINC000429516761 292125400 /nfs/dbraw/zinc/12/54/00/292125400.db2.gz PQOCQCPEHMLWFA-HRCADAONSA-N 2 1 282.472 3.187 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c1)CCC2 ZINC000650704320 397897823 /nfs/dbraw/zinc/89/78/23/397897823.db2.gz SZMJEWAKVITMEX-VQIMIIECSA-N 2 1 284.447 3.139 20 0 CGADMP CC[N@@H+](CCCN[C@@H](C)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710473 397898053 /nfs/dbraw/zinc/89/80/53/397898053.db2.gz PQRLEBPBLGHUEB-IRXDYDNUSA-N 2 1 295.515 3.151 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708281 397898451 /nfs/dbraw/zinc/89/84/51/397898451.db2.gz WYLJORPTSXUVKI-DFBDCSAJSA-N 2 1 294.483 3.031 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)[C@@H]1CC[NH3+] ZINC000650710943 397899010 /nfs/dbraw/zinc/89/90/10/397899010.db2.gz DGALQOMNFRKOGN-SWLSCSKDSA-N 2 1 298.377 3.237 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(F)c(F)cc1F ZINC000650719055 397901511 /nfs/dbraw/zinc/90/15/11/397901511.db2.gz BHDWBCSDLZGYOA-UHFFFAOYSA-N 2 1 294.320 3.113 20 0 CGADMP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)N2 ZINC000650761397 397911605 /nfs/dbraw/zinc/91/16/05/397911605.db2.gz ZBLPMCQKNXOPKT-KZNAEPCWSA-N 2 1 299.462 3.020 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675788369 543365180 /nfs/dbraw/zinc/36/51/80/543365180.db2.gz RVBPYLXHFWMYTP-LSDHHAIUSA-N 2 1 290.451 3.045 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000675795389 543365718 /nfs/dbraw/zinc/36/57/18/543365718.db2.gz TVWYXXNFMXLDDM-QZTJIDSGSA-N 2 1 283.419 3.193 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1cccs1 ZINC000675816776 543367009 /nfs/dbraw/zinc/36/70/09/543367009.db2.gz KVIOEPQFYFTKQO-QWHCGFSZSA-N 2 1 277.437 3.110 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880068 543369661 /nfs/dbraw/zinc/36/96/61/543369661.db2.gz BAMMYSMRUNDJEV-RDJZCZTQSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677238193 543440942 /nfs/dbraw/zinc/44/09/42/543440942.db2.gz WUTDCWGAIDOMCI-NXHRZFHOSA-N 2 1 272.436 3.397 20 0 CGADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)sc2c1CCCC2 ZINC000677237476 543440952 /nfs/dbraw/zinc/44/09/52/543440952.db2.gz JDBIRXQUFDLQJL-CABCVRRESA-N 2 1 290.476 3.343 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000677241162 543441085 /nfs/dbraw/zinc/44/10/85/543441085.db2.gz MNHZRKXYUGPOJZ-LUKYLMHMSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000677818882 543468080 /nfs/dbraw/zinc/46/80/80/543468080.db2.gz KQNPZVBOBATWKX-DLBZAZTESA-N 2 1 269.392 3.070 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000677818882 543468082 /nfs/dbraw/zinc/46/80/82/543468082.db2.gz KQNPZVBOBATWKX-DLBZAZTESA-N 2 1 269.392 3.070 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cscn1 ZINC000678113941 543484272 /nfs/dbraw/zinc/48/42/72/543484272.db2.gz PRDIWMSEPGICEE-GFCCVEGCSA-N 2 1 284.388 3.180 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420298657 292191229 /nfs/dbraw/zinc/19/12/29/292191229.db2.gz FNLSPNZSKKKARA-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000678414252 543522323 /nfs/dbraw/zinc/52/23/23/543522323.db2.gz ROTYYEHLPKAFPF-OAHLLOKOSA-N 2 1 287.451 3.223 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678425375 543524850 /nfs/dbraw/zinc/52/48/50/543524850.db2.gz ZMALZPIHCPFBEC-JSGCOSHPSA-N 2 1 286.423 3.190 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000678765838 543553828 /nfs/dbraw/zinc/55/38/28/543553828.db2.gz HAPZJGLCVWROOF-KDOFPFPSSA-N 2 1 283.419 3.495 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678898800 543570511 /nfs/dbraw/zinc/57/05/11/543570511.db2.gz SUWQMLNOEBMGPJ-NZSAHSFTSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000554384903 289280170 /nfs/dbraw/zinc/28/01/70/289280170.db2.gz NQXWFPRZDSJJFI-DJIMGWMZSA-N 2 1 264.457 3.133 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)C12CCCCC2 ZINC000226811099 286283862 /nfs/dbraw/zinc/28/38/62/286283862.db2.gz DDNDWAZHZHFTNK-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C12CCCCC2 ZINC000423262164 286292505 /nfs/dbraw/zinc/29/25/05/286292505.db2.gz LVWXUTPWPWRBQO-ARFHVFGLSA-N 2 1 282.472 3.077 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062077742 286959829 /nfs/dbraw/zinc/95/98/29/286959829.db2.gz QTHIHHPLXTXYJZ-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@]1(C)CCCO1 ZINC000340469793 287023476 /nfs/dbraw/zinc/02/34/76/287023476.db2.gz LSIRANZQIHCTMS-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414086320 287023488 /nfs/dbraw/zinc/02/34/88/287023488.db2.gz ZGZBVBQIAFNRHV-DMRKSPOLSA-N 2 1 266.473 3.379 20 0 CGADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585996 287103135 /nfs/dbraw/zinc/10/31/35/287103135.db2.gz LMAXYEKGPNCFIN-SJORKVTESA-N 2 1 284.488 3.149 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093861257 165338215 /nfs/dbraw/zinc/33/82/15/165338215.db2.gz KSBXKBSRTNXGRK-CQSZACIVSA-N 2 1 252.377 3.194 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000094011523 165341969 /nfs/dbraw/zinc/34/19/69/165341969.db2.gz BOWGDRHYIIYQAH-QGZVFWFLSA-N 2 1 260.425 3.459 20 0 CGADMP Clc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094021479 165342781 /nfs/dbraw/zinc/34/27/81/165342781.db2.gz VAXKVIZBMBJJPR-UHFFFAOYSA-N 2 1 278.827 3.304 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093693524 287118796 /nfs/dbraw/zinc/11/87/96/287118796.db2.gz LBKANYSLKXYOBF-SFHVURJKSA-N 2 1 274.452 3.467 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674343 165804365 /nfs/dbraw/zinc/80/43/65/165804365.db2.gz QHXFMWUVDHBFMK-IRXDYDNUSA-N 2 1 258.409 3.020 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000284211263 196003739 /nfs/dbraw/zinc/00/37/39/196003739.db2.gz GWHDATAWSJUIPJ-MSOLQXFVSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000008731149 170351125 /nfs/dbraw/zinc/35/11/25/170351125.db2.gz SNCUQMOPMNXXBC-UHFFFAOYSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(O)c1 ZINC000020143356 171029347 /nfs/dbraw/zinc/02/93/47/171029347.db2.gz HHQRCFVRLFKJJN-GFCCVEGCSA-N 2 1 276.424 3.352 20 0 CGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000020188950 171054010 /nfs/dbraw/zinc/05/40/10/171054010.db2.gz ZGUOMUWCDDEKPW-UHFFFAOYSA-N 2 1 276.424 3.048 20 0 CGADMP c1cc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc2o1 ZINC000285435236 196283346 /nfs/dbraw/zinc/28/33/46/196283346.db2.gz KXOPXGMJQCOYLQ-UHFFFAOYSA-N 2 1 270.376 3.149 20 0 CGADMP C[N@@H+](Cc1cccc2cccnc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285660245 196357952 /nfs/dbraw/zinc/35/79/52/196357952.db2.gz YYWROMJOIBKVOR-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285660245 196357953 /nfs/dbraw/zinc/35/79/53/196357953.db2.gz YYWROMJOIBKVOR-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285660245 196357955 /nfs/dbraw/zinc/35/79/55/196357955.db2.gz YYWROMJOIBKVOR-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000285662698 196358915 /nfs/dbraw/zinc/35/89/15/196358915.db2.gz ZDJKRFHYQRMOKQ-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000285662698 196358916 /nfs/dbraw/zinc/35/89/16/196358916.db2.gz ZDJKRFHYQRMOKQ-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000285662698 196358918 /nfs/dbraw/zinc/35/89/18/196358918.db2.gz ZDJKRFHYQRMOKQ-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000285719790 196377571 /nfs/dbraw/zinc/37/75/71/196377571.db2.gz QCBZDZPWUCSSHT-WBVHZDCISA-N 2 1 260.425 3.378 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)ccc1OC)C1CC[NH2+]CC1 ZINC000037539154 173260242 /nfs/dbraw/zinc/26/02/42/173260242.db2.gz BSLMNEGYQFSYCM-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CCC[N@@H+](Cc1cc(Cl)ccc1OC)C1CC[NH2+]CC1 ZINC000037539154 173260244 /nfs/dbraw/zinc/26/02/44/173260244.db2.gz BSLMNEGYQFSYCM-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1cccc(O)c1)C[NH+]1CCCCC1 ZINC000038041813 174043387 /nfs/dbraw/zinc/04/33/87/174043387.db2.gz WKJHOVZVNKWMEP-CABCVRRESA-N 2 1 276.424 3.165 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000071376867 176142220 /nfs/dbraw/zinc/14/22/20/176142220.db2.gz WFYUDRAIGVVMLI-AWEZNQCLSA-N 2 1 264.413 3.065 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000071376867 176142221 /nfs/dbraw/zinc/14/22/21/176142221.db2.gz WFYUDRAIGVVMLI-AWEZNQCLSA-N 2 1 264.413 3.065 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000129005139 287322329 /nfs/dbraw/zinc/32/23/29/287322329.db2.gz NBMKWJLTDUTXJW-BYCMXARLSA-N 2 1 294.439 3.292 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000129005139 287322331 /nfs/dbraw/zinc/32/23/31/287322331.db2.gz NBMKWJLTDUTXJW-BYCMXARLSA-N 2 1 294.439 3.292 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000052204638 416479004 /nfs/dbraw/zinc/47/90/04/416479004.db2.gz SDJGVTHCICPYLD-ROUUACIJSA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000308633347 416530153 /nfs/dbraw/zinc/53/01/53/416530153.db2.gz KAPMEOFCRGWKCL-HNNXBMFYSA-N 2 1 288.435 3.017 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402865435 416548336 /nfs/dbraw/zinc/54/83/36/416548336.db2.gz WJAQWHDXJDWEAG-MKBNYLNASA-N 2 1 280.362 3.087 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402865435 416548337 /nfs/dbraw/zinc/54/83/37/416548337.db2.gz WJAQWHDXJDWEAG-MKBNYLNASA-N 2 1 280.362 3.087 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)[C@H]1CC[NH3+] ZINC000404411881 416554269 /nfs/dbraw/zinc/55/42/69/416554269.db2.gz YIZAFGAFBCOAOS-AEFFLSMTSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)[C@@H]1CC[NH3+] ZINC000404426032 416554506 /nfs/dbraw/zinc/55/45/06/416554506.db2.gz LTNCBUUCHZBVBM-GOEBONIOSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@@H]1CC[NH3+] ZINC000404426032 416554509 /nfs/dbraw/zinc/55/45/09/416554509.db2.gz LTNCBUUCHZBVBM-GOEBONIOSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000404437948 416555140 /nfs/dbraw/zinc/55/51/40/416555140.db2.gz SHSPPOSRBLSNGX-KBXCAEBGSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)[C@@H]1CC[NH3+] ZINC000404382746 416555657 /nfs/dbraw/zinc/55/56/57/416555657.db2.gz NDUBHOUNGPXMAT-BFYDXBDKSA-N 2 1 288.435 3.002 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC2(C)C)C1 ZINC000342622965 287348377 /nfs/dbraw/zinc/34/83/77/287348377.db2.gz GZYIGBNZTISXNX-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC000682069806 543819882 /nfs/dbraw/zinc/81/98/82/543819882.db2.gz ADLABSAOMFIACS-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069806 543819885 /nfs/dbraw/zinc/81/98/85/543819885.db2.gz ADLABSAOMFIACS-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069806 543819889 /nfs/dbraw/zinc/81/98/89/543819889.db2.gz ADLABSAOMFIACS-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000131400238 287378662 /nfs/dbraw/zinc/37/86/62/287378662.db2.gz XEXBCGGQIGQHLG-AWEZNQCLSA-N 2 1 294.487 3.329 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000131501782 287381887 /nfs/dbraw/zinc/38/18/87/287381887.db2.gz JEJIYDZNMMWRMD-CJNGLKHVSA-N 2 1 278.415 3.033 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@H](C)C1 ZINC000131786737 287389391 /nfs/dbraw/zinc/38/93/91/287389391.db2.gz NVWFNWPBEVIMGK-QZWWFDLISA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000683888808 543950068 /nfs/dbraw/zinc/95/00/68/543950068.db2.gz KXWGCBACJOVPFG-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000684021047 543960934 /nfs/dbraw/zinc/96/09/34/543960934.db2.gz KQOZATKLYSSWSN-OAHLLOKOSA-N 2 1 283.419 3.086 20 0 CGADMP c1c2ccccc2[nH]c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000684021047 543960937 /nfs/dbraw/zinc/96/09/37/543960937.db2.gz KQOZATKLYSSWSN-OAHLLOKOSA-N 2 1 283.419 3.086 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000685410741 544065950 /nfs/dbraw/zinc/06/59/50/544065950.db2.gz LAYATAWLAVHUTC-QTLSWZBMSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000685410741 544065952 /nfs/dbraw/zinc/06/59/52/544065952.db2.gz LAYATAWLAVHUTC-QTLSWZBMSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000685410741 544065955 /nfs/dbraw/zinc/06/59/55/544065955.db2.gz LAYATAWLAVHUTC-QTLSWZBMSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000685410741 544065956 /nfs/dbraw/zinc/06/59/56/544065956.db2.gz LAYATAWLAVHUTC-QTLSWZBMSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685429098 544069384 /nfs/dbraw/zinc/06/93/84/544069384.db2.gz AFSMMXUDIOXVPH-UYWPIULCSA-N 2 1 294.389 3.394 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685429098 544069387 /nfs/dbraw/zinc/06/93/87/544069387.db2.gz AFSMMXUDIOXVPH-UYWPIULCSA-N 2 1 294.389 3.394 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000685471022 544078796 /nfs/dbraw/zinc/07/87/96/544078796.db2.gz NMUDYIRXUULQMO-XJKSGUPXSA-N 2 1 284.407 3.339 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684955681 544044572 /nfs/dbraw/zinc/04/45/72/544044572.db2.gz SMWWUARLMASVDY-NVXWUHKLSA-N 2 1 287.451 3.169 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684955681 544044574 /nfs/dbraw/zinc/04/45/74/544044574.db2.gz SMWWUARLMASVDY-NVXWUHKLSA-N 2 1 287.451 3.169 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000685666171 544094066 /nfs/dbraw/zinc/09/40/66/544094066.db2.gz OGOOPUPZTOVLIU-NXOAAHMSSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000685666171 544094068 /nfs/dbraw/zinc/09/40/68/544094068.db2.gz OGOOPUPZTOVLIU-NXOAAHMSSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000352834921 227311050 /nfs/dbraw/zinc/31/10/50/227311050.db2.gz MGSOBHOTYTXJMH-LXZKKBNFSA-N 2 1 275.440 3.410 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(C)cccc32)CC1 ZINC000658337335 418941964 /nfs/dbraw/zinc/94/19/64/418941964.db2.gz GDOFNZVQDLOMGG-GOSISDBHSA-N 2 1 272.436 3.446 20 0 CGADMP C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000652350217 418955595 /nfs/dbraw/zinc/95/55/95/418955595.db2.gz MIXDNYGRIIHYQT-GOSISDBHSA-N 2 1 290.426 3.179 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349576 418956081 /nfs/dbraw/zinc/95/60/81/418956081.db2.gz SZFYMODUOIJMQU-HRCADAONSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2c(F)cccc2F)CC[N@@H+]1C ZINC000653564785 419049840 /nfs/dbraw/zinc/04/98/40/419049840.db2.gz LSXABYRDNJATCQ-ZIAGYGMSSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2c(F)cccc2F)CC[N@H+]1C ZINC000653564785 419049843 /nfs/dbraw/zinc/04/98/43/419049843.db2.gz LSXABYRDNJATCQ-ZIAGYGMSSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2c(F)cccc2F)CC[NH+]1C ZINC000653564785 419049847 /nfs/dbraw/zinc/04/98/47/419049847.db2.gz LSXABYRDNJATCQ-ZIAGYGMSSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2c(F)cccc2F)CC[NH+]1C ZINC000653564785 419049849 /nfs/dbraw/zinc/04/98/49/419049849.db2.gz LSXABYRDNJATCQ-ZIAGYGMSSA-N 2 1 296.405 3.312 20 0 CGADMP CO[C@H](C[N@@H+](C)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000659869644 419022012 /nfs/dbraw/zinc/02/20/12/419022012.db2.gz YCPWDMCWQUHYKJ-GOSISDBHSA-N 2 1 296.499 3.386 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCC1 ZINC000659945148 419041676 /nfs/dbraw/zinc/04/16/76/419041676.db2.gz SIEUBDITDSISOK-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000659963722 419047944 /nfs/dbraw/zinc/04/79/44/419047944.db2.gz XXPXDFBZRMMHJQ-UONOGXRCSA-N 2 1 276.415 3.474 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000659963722 419047950 /nfs/dbraw/zinc/04/79/50/419047950.db2.gz XXPXDFBZRMMHJQ-UONOGXRCSA-N 2 1 276.415 3.474 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000659963722 419047953 /nfs/dbraw/zinc/04/79/53/419047953.db2.gz XXPXDFBZRMMHJQ-UONOGXRCSA-N 2 1 276.415 3.474 20 0 CGADMP Cc1cccc(C2([NH2+]CCCc3c[nH+]cn3C)CCC2)c1 ZINC000653776098 419083804 /nfs/dbraw/zinc/08/38/04/419083804.db2.gz RESYBXFKPFYPAY-UHFFFAOYSA-N 2 1 283.419 3.330 20 0 CGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1F ZINC000653778980 419084444 /nfs/dbraw/zinc/08/44/44/419084444.db2.gz UHNNGRZIBQUECG-INIZCTEOSA-N 2 1 275.371 3.233 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655757536 419089485 /nfs/dbraw/zinc/08/94/85/419089485.db2.gz IAHDTKVEQPEFHP-RYRKJORJSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)c(Cl)c1 ZINC000665249385 419091612 /nfs/dbraw/zinc/09/16/12/419091612.db2.gz PGTIJWSKTBRJRH-SNVBAGLBSA-N 2 1 270.779 3.401 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cnc2ccsc2c1 ZINC000665249623 419091908 /nfs/dbraw/zinc/09/19/08/419091908.db2.gz UZRFAMDTNVEHBY-LLVKDONJSA-N 2 1 275.421 3.218 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c(C)s1 ZINC000665249125 419092219 /nfs/dbraw/zinc/09/22/19/419092219.db2.gz KAERHQULXVENAG-LLVKDONJSA-N 2 1 252.427 3.287 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(OC(F)F)c1 ZINC000665249003 419093001 /nfs/dbraw/zinc/09/30/01/419093001.db2.gz HULQKRHNJWXMOW-LLVKDONJSA-N 2 1 284.350 3.210 20 0 CGADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC2(CCCCC2)O1 ZINC000653908643 419110586 /nfs/dbraw/zinc/11/05/86/419110586.db2.gz RGBIELPDPBKYFG-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC2(CCCCC2)O1 ZINC000653908643 419110589 /nfs/dbraw/zinc/11/05/89/419110589.db2.gz RGBIELPDPBKYFG-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC2(CCCCC2)O1 ZINC000653908643 419110592 /nfs/dbraw/zinc/11/05/92/419110592.db2.gz RGBIELPDPBKYFG-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC2(CCCCC2)O1 ZINC000653908643 419110594 /nfs/dbraw/zinc/11/05/94/419110594.db2.gz RGBIELPDPBKYFG-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC2(CCCCC2)O1 ZINC000653908643 419110597 /nfs/dbraw/zinc/11/05/97/419110597.db2.gz RGBIELPDPBKYFG-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000665297868 419111331 /nfs/dbraw/zinc/11/13/31/419111331.db2.gz NFAOMQZWSQRJKZ-WHOFXGATSA-N 2 1 266.816 3.174 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cccs1 ZINC000660251687 419112784 /nfs/dbraw/zinc/11/27/84/419112784.db2.gz BEYMHIVKHNTGAI-HUUCEWRRSA-N 2 1 298.496 3.126 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cccs1 ZINC000660251687 419112786 /nfs/dbraw/zinc/11/27/86/419112786.db2.gz BEYMHIVKHNTGAI-HUUCEWRRSA-N 2 1 298.496 3.126 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](CC)CC(F)F)C1 ZINC000659982729 419051617 /nfs/dbraw/zinc/05/16/17/419051617.db2.gz VQAQRMCJLVODTC-KGLIPLIRSA-N 2 1 276.415 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](CC)CC(F)F)C1 ZINC000659982729 419051620 /nfs/dbraw/zinc/05/16/20/419051620.db2.gz VQAQRMCJLVODTC-KGLIPLIRSA-N 2 1 276.415 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000659982729 419051622 /nfs/dbraw/zinc/05/16/22/419051622.db2.gz VQAQRMCJLVODTC-KGLIPLIRSA-N 2 1 276.415 3.332 20 0 CGADMP CSc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000660011449 419062348 /nfs/dbraw/zinc/06/23/48/419062348.db2.gz ODOMOOCRBFTSGU-NVXWUHKLSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000660011449 419062352 /nfs/dbraw/zinc/06/23/52/419062352.db2.gz ODOMOOCRBFTSGU-NVXWUHKLSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000660011449 419062356 /nfs/dbraw/zinc/06/23/56/419062356.db2.gz ODOMOOCRBFTSGU-NVXWUHKLSA-N 2 1 290.476 3.325 20 0 CGADMP CC(C)(C)CCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655708127 419072740 /nfs/dbraw/zinc/07/27/40/419072740.db2.gz DVLAAUDMFXUUAW-KRWDZBQOSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cc(F)ccc1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661056 419176542 /nfs/dbraw/zinc/17/65/42/419176542.db2.gz BMNXGWDPYHGAII-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661056 419176544 /nfs/dbraw/zinc/17/65/44/419176544.db2.gz BMNXGWDPYHGAII-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661056 419176546 /nfs/dbraw/zinc/17/65/46/419176546.db2.gz BMNXGWDPYHGAII-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661056 419176549 /nfs/dbraw/zinc/17/65/49/419176549.db2.gz BMNXGWDPYHGAII-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661056 419176551 /nfs/dbraw/zinc/17/65/51/419176551.db2.gz BMNXGWDPYHGAII-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3o1)C2 ZINC000660656576 419177091 /nfs/dbraw/zinc/17/70/91/419177091.db2.gz MUCUAOCYQHPFIS-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3o1)C2 ZINC000660656576 419177092 /nfs/dbraw/zinc/17/70/92/419177092.db2.gz MUCUAOCYQHPFIS-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc3ccccc3o1)C2 ZINC000660656576 419177094 /nfs/dbraw/zinc/17/70/94/419177094.db2.gz MUCUAOCYQHPFIS-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3ccccc3o1)C2 ZINC000660656576 419177097 /nfs/dbraw/zinc/17/70/97/419177097.db2.gz MUCUAOCYQHPFIS-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1cc(F)ccc1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661059 419177836 /nfs/dbraw/zinc/17/78/36/419177836.db2.gz BMNXGWDPYHGAII-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661059 419177838 /nfs/dbraw/zinc/17/78/38/419177838.db2.gz BMNXGWDPYHGAII-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661059 419177841 /nfs/dbraw/zinc/17/78/41/419177841.db2.gz BMNXGWDPYHGAII-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661059 419177844 /nfs/dbraw/zinc/17/78/44/419177844.db2.gz BMNXGWDPYHGAII-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661059 419177845 /nfs/dbraw/zinc/17/78/45/419177845.db2.gz BMNXGWDPYHGAII-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659391 419178073 /nfs/dbraw/zinc/17/80/73/419178073.db2.gz OWVHUDWDZDNJNO-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(C)(C)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659391 419178075 /nfs/dbraw/zinc/17/80/75/419178075.db2.gz OWVHUDWDZDNJNO-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(C)(C)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659391 419178077 /nfs/dbraw/zinc/17/80/77/419178077.db2.gz OWVHUDWDZDNJNO-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2OC)C1 ZINC000655937289 419128101 /nfs/dbraw/zinc/12/81/01/419128101.db2.gz ZHFHODUXBYCVPD-HNNXBMFYSA-N 2 1 290.451 3.250 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2OC)C1 ZINC000655937289 419128103 /nfs/dbraw/zinc/12/81/03/419128103.db2.gz ZHFHODUXBYCVPD-HNNXBMFYSA-N 2 1 290.451 3.250 20 0 CGADMP COCc1csc(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000657294176 419244932 /nfs/dbraw/zinc/24/49/32/419244932.db2.gz HNLVIRAHWBGKOX-UHFFFAOYSA-N 2 1 296.480 3.106 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785210 419218729 /nfs/dbraw/zinc/21/87/29/419218729.db2.gz KPUDXYDRXLDHPU-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1F ZINC000656785978 419219194 /nfs/dbraw/zinc/21/91/94/419219194.db2.gz OSGZQVQTIUZBLI-AWEZNQCLSA-N 2 1 294.389 3.176 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786994 419219507 /nfs/dbraw/zinc/21/95/07/419219507.db2.gz ZAYUSQNTQHLTLM-RRGNZLCHSA-N 2 1 284.447 3.411 20 0 CGADMP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000656788034 419219566 /nfs/dbraw/zinc/21/95/66/419219566.db2.gz KJEGHTPUIGQNGT-JQHSSLGASA-N 2 1 288.435 3.061 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1cccc(C2CCCC2)c1)C1CC1 ZINC000656786676 419220074 /nfs/dbraw/zinc/22/00/74/419220074.db2.gz OTHJFYMRNNXMPJ-KRWDZBQOSA-N 2 1 258.409 3.171 20 0 CGADMP Fc1ccccc1C[N@@H+](CC1CC1)CC1CC[NH2+]CC1 ZINC000656791430 419220544 /nfs/dbraw/zinc/22/05/44/419220544.db2.gz GNHZPYZJFPCRLI-UHFFFAOYSA-N 2 1 276.399 3.037 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661216230 419240851 /nfs/dbraw/zinc/24/08/51/419240851.db2.gz JMIPCNYWDGTBPJ-UHFFFAOYSA-N 2 1 297.446 3.189 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661216230 419240854 /nfs/dbraw/zinc/24/08/54/419240854.db2.gz JMIPCNYWDGTBPJ-UHFFFAOYSA-N 2 1 297.446 3.189 20 0 CGADMP Cc1c[nH]c(CNc2ccc(Cl)c(CN(C)C)c2)n1 ZINC000657456223 419283045 /nfs/dbraw/zinc/28/30/45/419283045.db2.gz RPDCEVURPVSOTL-UHFFFAOYSA-N 2 1 278.787 3.045 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000662180234 419351837 /nfs/dbraw/zinc/35/18/37/419351837.db2.gz OXFMWKYMJSRSTL-LBPRGKRZSA-N 2 1 262.388 3.132 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000662180234 419351841 /nfs/dbraw/zinc/35/18/41/419351841.db2.gz OXFMWKYMJSRSTL-LBPRGKRZSA-N 2 1 262.388 3.132 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H](CC)CC(F)F ZINC000662176562 419352046 /nfs/dbraw/zinc/35/20/46/419352046.db2.gz CIYACBZOALSXEO-GFCCVEGCSA-N 2 1 264.404 3.378 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H](CC)CC(F)F ZINC000662176562 419352050 /nfs/dbraw/zinc/35/20/50/419352050.db2.gz CIYACBZOALSXEO-GFCCVEGCSA-N 2 1 264.404 3.378 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCc2ccccc21 ZINC000662198923 419358070 /nfs/dbraw/zinc/35/80/70/419358070.db2.gz XNPKSPJLCQPFMZ-SJORKVTESA-N 2 1 272.436 3.133 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCc2ccccc21 ZINC000662198923 419358074 /nfs/dbraw/zinc/35/80/74/419358074.db2.gz XNPKSPJLCQPFMZ-SJORKVTESA-N 2 1 272.436 3.133 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCc2ccccc21 ZINC000662198923 419358080 /nfs/dbraw/zinc/35/80/80/419358080.db2.gz XNPKSPJLCQPFMZ-SJORKVTESA-N 2 1 272.436 3.133 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2cc3cnccc3o2)C1 ZINC000657864416 419394473 /nfs/dbraw/zinc/39/44/73/419394473.db2.gz ZZZPOKYEOLKYCD-ZIAGYGMSSA-N 2 1 287.407 3.210 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000657864416 419394484 /nfs/dbraw/zinc/39/44/84/419394484.db2.gz ZZZPOKYEOLKYCD-ZIAGYGMSSA-N 2 1 287.407 3.210 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(c2ccccc2)CC1(C)C ZINC000662341486 419394771 /nfs/dbraw/zinc/39/47/71/419394771.db2.gz TYDIDNMOHBLWFS-QGZVFWFLSA-N 2 1 269.392 3.107 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657871663 419395931 /nfs/dbraw/zinc/39/59/31/419395931.db2.gz WHHHDOIXGACKQT-QWHCGFSZSA-N 2 1 298.390 3.320 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CCCCC1 ZINC000662265538 419376915 /nfs/dbraw/zinc/37/69/15/419376915.db2.gz QRSDKRSQIAOTNP-RCCFBDPRSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+]1CCCC1 ZINC000657834060 419379024 /nfs/dbraw/zinc/37/90/24/419379024.db2.gz YWYJNDSIUNSIMR-RYUDHWBXSA-N 2 1 262.388 3.130 20 0 CGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662294870 419384940 /nfs/dbraw/zinc/38/49/40/419384940.db2.gz FWLNIPLSCCCAKK-CVEARBPZSA-N 2 1 258.409 3.050 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC(C)(C)CC(C)(C)C1 ZINC000662302872 419387074 /nfs/dbraw/zinc/38/70/74/419387074.db2.gz OYSIYEPAFDEAPE-ZDUSSCGKSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344588 419568017 /nfs/dbraw/zinc/56/80/17/419568017.db2.gz BLYRJNISSVEODC-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP CC(C)c1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000663314244 419549234 /nfs/dbraw/zinc/54/92/34/419549234.db2.gz BBXHFYKAZLOEQA-MRXNPFEDSA-N 2 1 272.436 3.384 20 0 CGADMP C([NH2+]C1CCCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346973 419565956 /nfs/dbraw/zinc/56/59/56/419565956.db2.gz DMHMXGAPSFDLNQ-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000663509933 419638498 /nfs/dbraw/zinc/63/84/98/419638498.db2.gz BKRMYZJHZGJPGO-VXGBXAGGSA-N 2 1 288.357 3.224 20 0 CGADMP CC(C)[N@@H+](C)CC1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663404715 419593430 /nfs/dbraw/zinc/59/34/30/419593430.db2.gz MFOIAMCORVGBFP-UHFFFAOYSA-N 2 1 286.423 3.120 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468522 419618740 /nfs/dbraw/zinc/61/87/40/419618740.db2.gz LRRQZJDNFNKOAK-HYVNUMGLSA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468821 419619922 /nfs/dbraw/zinc/61/99/22/419619922.db2.gz MWOYJXXHMAEHIK-JKSUJKDBSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1 ZINC000663468073 419621177 /nfs/dbraw/zinc/62/11/77/419621177.db2.gz KEXBSIIXZOJDPO-HOCLYGCPSA-N 2 1 288.435 3.165 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1 ZINC000663468073 419621187 /nfs/dbraw/zinc/62/11/87/419621187.db2.gz KEXBSIIXZOJDPO-HOCLYGCPSA-N 2 1 288.435 3.165 20 0 CGADMP C1CC1C([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000658230071 419691076 /nfs/dbraw/zinc/69/10/76/419691076.db2.gz VSYUUOGEEFMNJK-HNNXBMFYSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1C([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000658230071 419691081 /nfs/dbraw/zinc/69/10/81/419691081.db2.gz VSYUUOGEEFMNJK-HNNXBMFYSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC000658176766 419642302 /nfs/dbraw/zinc/64/23/02/419642302.db2.gz JULFNEXCUDZBDQ-UHFFFAOYSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+]C[C@H]2CC=CCC2)([NH+](C)C)C1 ZINC000040668537 270029909 /nfs/dbraw/zinc/02/99/09/270029909.db2.gz UJOMYBABDOVECH-IXDOHACOSA-N 2 1 264.457 3.443 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535593 270036348 /nfs/dbraw/zinc/03/63/48/270036348.db2.gz VENNCFXHOZABQN-HOCLYGCPSA-N 2 1 260.425 3.241 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534792 270036385 /nfs/dbraw/zinc/03/63/85/270036385.db2.gz JCJGFEBQUXROGV-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044535673 270036472 /nfs/dbraw/zinc/03/64/72/270036472.db2.gz CSBCYAVVDRUCEB-STQMWFEESA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044535673 270036473 /nfs/dbraw/zinc/03/64/73/270036473.db2.gz CSBCYAVVDRUCEB-STQMWFEESA-N 2 1 252.427 3.049 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044532540 270036574 /nfs/dbraw/zinc/03/65/74/270036574.db2.gz DWCCRTQRYIFQCY-STQMWFEESA-N 2 1 266.454 3.303 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044532540 270036576 /nfs/dbraw/zinc/03/65/76/270036576.db2.gz DWCCRTQRYIFQCY-STQMWFEESA-N 2 1 266.454 3.303 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533762 270036684 /nfs/dbraw/zinc/03/66/84/270036684.db2.gz XVYCUXYWEMFAND-QWHCGFSZSA-N 2 1 298.377 3.280 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000044535875 270036860 /nfs/dbraw/zinc/03/68/60/270036860.db2.gz JBGGWEKDVUBYSO-CYBMUJFWSA-N 2 1 286.341 3.137 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000106868837 270049237 /nfs/dbraw/zinc/04/92/37/270049237.db2.gz NDHXPUHQFHMDJU-IAGOWNOFSA-N 2 1 272.436 3.328 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000184288973 270058153 /nfs/dbraw/zinc/05/81/53/270058153.db2.gz SBSZRALWLCDIHI-CVEARBPZSA-N 2 1 275.440 3.163 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000189372947 270071322 /nfs/dbraw/zinc/07/13/22/270071322.db2.gz OLEAMEWEIRRNQE-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)[C@@H]1c1cccs1 ZINC000525996477 270122027 /nfs/dbraw/zinc/12/20/27/270122027.db2.gz LXZBFTGHAPQDCS-GXTWGEPZSA-N 2 1 282.428 3.223 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)[C@@H]1c1cccs1 ZINC000525996477 270122028 /nfs/dbraw/zinc/12/20/28/270122028.db2.gz LXZBFTGHAPQDCS-GXTWGEPZSA-N 2 1 282.428 3.223 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000527859896 270140114 /nfs/dbraw/zinc/14/01/14/270140114.db2.gz GRIHJSHQCGGMNO-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C)ccc1C ZINC000527896131 270142734 /nfs/dbraw/zinc/14/27/34/270142734.db2.gz ZHOSUARQMRIBGP-KRWDZBQOSA-N 2 1 271.408 3.320 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527923766 270144443 /nfs/dbraw/zinc/14/44/43/270144443.db2.gz GGUROCLLAXLTSM-DYVFJYSZSA-N 2 1 264.457 3.133 20 0 CGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000529528562 270182417 /nfs/dbraw/zinc/18/24/17/270182417.db2.gz JZRIYGACPDUWAH-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000529528562 270182420 /nfs/dbraw/zinc/18/24/20/270182420.db2.gz JZRIYGACPDUWAH-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000529528562 270182421 /nfs/dbraw/zinc/18/24/21/270182421.db2.gz JZRIYGACPDUWAH-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530823 270182864 /nfs/dbraw/zinc/18/28/64/270182864.db2.gz IMWQDYZNMVRXCX-RFQIPJPRSA-N 2 1 288.426 3.376 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530823 270182865 /nfs/dbraw/zinc/18/28/65/270182865.db2.gz IMWQDYZNMVRXCX-RFQIPJPRSA-N 2 1 288.426 3.376 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)[C@H](C)C2 ZINC000530216182 270195933 /nfs/dbraw/zinc/19/59/33/270195933.db2.gz NPHBVVDFZXWYBG-KBRIMQKVSA-N 2 1 270.420 3.103 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc(C)c1F ZINC000530460145 270200206 /nfs/dbraw/zinc/20/02/06/270200206.db2.gz INSZDIWQNUNRKD-CYBMUJFWSA-N 2 1 275.371 3.069 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000360037664 274022653 /nfs/dbraw/zinc/02/26/53/274022653.db2.gz KWFGDGOGYGHCQJ-YJBOKZPZSA-N 2 1 290.451 3.183 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167104130 274208618 /nfs/dbraw/zinc/20/86/18/274208618.db2.gz BQOGLIDVCPCOBC-JTQLQIEISA-N 2 1 292.320 3.274 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCc2ccc(Br)cc21)[C@H](C)[NH3+] ZINC000423452418 274257543 /nfs/dbraw/zinc/25/75/43/274257543.db2.gz WGOYLGSEUJSCEX-IMSIIYSGSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)C[C@H]1[NH3+] ZINC000261635876 274345473 /nfs/dbraw/zinc/34/54/73/274345473.db2.gz FXPXFSDLBXZWQP-SJKOYZFVSA-N 2 1 264.372 3.035 20 0 CGADMP C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)C[C@H]1[NH3+] ZINC000261635876 274345474 /nfs/dbraw/zinc/34/54/74/274345474.db2.gz FXPXFSDLBXZWQP-SJKOYZFVSA-N 2 1 264.372 3.035 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2SCCc3ccccc32)CC[N@H+]1C ZINC000361967766 274392334 /nfs/dbraw/zinc/39/23/34/274392334.db2.gz WSXKWVKELWYQEH-KMFMINBZSA-N 2 1 290.476 3.089 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423325688 274484096 /nfs/dbraw/zinc/48/40/96/274484096.db2.gz MAZJQJDVJHECPQ-SCDSUCTJSA-N 2 1 286.341 3.278 20 0 CGADMP c1ccc(CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000469880103 275066722 /nfs/dbraw/zinc/06/67/22/275066722.db2.gz PPASIFRWEZKJIH-GOSISDBHSA-N 2 1 286.463 3.473 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000278978598 275874952 /nfs/dbraw/zinc/87/49/52/275874952.db2.gz OLXNTNZNLIASBR-ZFWWWQNUSA-N 2 1 299.418 3.342 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000474924680 276016544 /nfs/dbraw/zinc/01/65/44/276016544.db2.gz IOOVRYURURAJBB-CEXWTWQISA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000474924680 276016545 /nfs/dbraw/zinc/01/65/45/276016545.db2.gz IOOVRYURURAJBB-CEXWTWQISA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000474924680 276016546 /nfs/dbraw/zinc/01/65/46/276016546.db2.gz IOOVRYURURAJBB-CEXWTWQISA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000474924680 276016547 /nfs/dbraw/zinc/01/65/47/276016547.db2.gz IOOVRYURURAJBB-CEXWTWQISA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427099261 276016630 /nfs/dbraw/zinc/01/66/30/276016630.db2.gz GXJOCIQKHXLOGO-OKZBNKHCSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CC2(CCC2)C1)[NH+]1CCCC1 ZINC000448057496 276018247 /nfs/dbraw/zinc/01/82/47/276018247.db2.gz CPPKHQJOTUQPFS-HNNXBMFYSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414956894 276042342 /nfs/dbraw/zinc/04/23/42/276042342.db2.gz QHNKPEKKVDFOKX-DJIMGWMZSA-N 2 1 260.425 3.128 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000063144666 276189666 /nfs/dbraw/zinc/18/96/66/276189666.db2.gz XBOFPDAZBSMHQU-BEBHXBEKSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[N@@H+](CCCOCc1ccccc1)C1CC[NH2+]CC1 ZINC000336708455 276253541 /nfs/dbraw/zinc/25/35/41/276253541.db2.gz JVJXLJJTBWCFIE-UHFFFAOYSA-N 2 1 290.451 3.057 20 0 CGADMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453077796 276268358 /nfs/dbraw/zinc/26/83/58/276268358.db2.gz IJWZKJKJBGYDIF-BBWFWOEESA-N 2 1 258.409 3.039 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288618 276307337 /nfs/dbraw/zinc/30/73/37/276307337.db2.gz QUWNVETUQYDMMC-PVAVHDDUSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288618 276307339 /nfs/dbraw/zinc/30/73/39/276307339.db2.gz QUWNVETUQYDMMC-PVAVHDDUSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288618 276307340 /nfs/dbraw/zinc/30/73/40/276307340.db2.gz QUWNVETUQYDMMC-PVAVHDDUSA-N 2 1 264.457 3.252 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000414185659 277073309 /nfs/dbraw/zinc/07/33/09/277073309.db2.gz OOILYNZLOFCTHD-RHSMWYFYSA-N 2 1 288.435 3.091 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000358356104 277152251 /nfs/dbraw/zinc/15/22/51/277152251.db2.gz OEBAKEJIQMICRS-KRWDZBQOSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)[C@@H]2CCC[C@@H]21 ZINC000513703134 277170181 /nfs/dbraw/zinc/17/01/81/277170181.db2.gz QVRSOSHMTLXBCJ-KKUMJFAQSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423280009 277282714 /nfs/dbraw/zinc/28/27/14/277282714.db2.gz UATSNVCWKKJZKI-KBXCAEBGSA-N 2 1 286.394 3.360 20 0 CGADMP CSCC1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000423261524 277508914 /nfs/dbraw/zinc/50/89/14/277508914.db2.gz JZUWECHIBRHTBE-BCLQGDPASA-N 2 1 284.513 3.405 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC000415009968 278026003 /nfs/dbraw/zinc/02/60/03/278026003.db2.gz XXJJUOYFPFUWNA-AGIUHOORSA-N 2 1 274.399 3.036 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000348267617 278076461 /nfs/dbraw/zinc/07/64/61/278076461.db2.gz BNHHAFAVTWVWPP-UPJWGTAASA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000348267617 278076462 /nfs/dbraw/zinc/07/64/62/278076462.db2.gz BNHHAFAVTWVWPP-UPJWGTAASA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000348267617 278076463 /nfs/dbraw/zinc/07/64/63/278076463.db2.gz BNHHAFAVTWVWPP-UPJWGTAASA-N 2 1 278.362 3.134 20 0 CGADMP CSCC1CCC([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423404261 278127194 /nfs/dbraw/zinc/12/71/94/278127194.db2.gz ZPJBJLJRACXMGI-YMAMQOFZSA-N 2 1 284.513 3.276 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000423333390 278184433 /nfs/dbraw/zinc/18/44/33/278184433.db2.gz RPEWZBIPMNIIET-YGRLFVJLSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000397258912 288022159 /nfs/dbraw/zinc/02/21/59/288022159.db2.gz JHEJDPZSKOSZAL-TYNCELHUSA-N 2 1 282.378 3.429 20 0 CGADMP C[C@@H](C[N@@H+](C)C1CC([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414765292 278240587 /nfs/dbraw/zinc/24/05/87/278240587.db2.gz BNLQZKMEWFBIQN-FNBIGBAISA-N 2 1 286.341 3.230 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516653 278261266 /nfs/dbraw/zinc/26/12/66/278261266.db2.gz KIGZLSJVNBMUNM-UXLLHSPISA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)(C)C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000311163062 278297273 /nfs/dbraw/zinc/29/72/73/278297273.db2.gz MWLIJHKXHMSDQD-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)[C@H](C)[NH3+] ZINC000423452050 278364078 /nfs/dbraw/zinc/36/40/78/278364078.db2.gz VVUHMFHANVBRLD-AXFHLTTASA-N 2 1 252.427 3.013 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423298047 278735777 /nfs/dbraw/zinc/73/57/77/278735777.db2.gz MWPYBZRLQPEVIM-IIAWOOMASA-N 2 1 278.440 3.294 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000453107343 288075705 /nfs/dbraw/zinc/07/57/05/288075705.db2.gz IRTUFCMJWOGVLS-CVEARBPZSA-N 2 1 296.480 3.026 20 0 CGADMP CC(C)(C)C1CC([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000459410939 288091111 /nfs/dbraw/zinc/09/11/11/288091111.db2.gz PLJGANVMBQTMGZ-UHFFFAOYSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1c[nH+]ccc1NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000192499893 279028270 /nfs/dbraw/zinc/02/82/70/279028270.db2.gz DVDMFJVJACPEHN-HNNXBMFYSA-N 2 1 261.413 3.457 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450459604 279135478 /nfs/dbraw/zinc/13/54/78/279135478.db2.gz LGWNIULQJDXBOZ-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453394420 288101324 /nfs/dbraw/zinc/10/13/24/288101324.db2.gz IYICBBZXXVNMJH-YCPHGPKFSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422904565 279254824 /nfs/dbraw/zinc/25/48/24/279254824.db2.gz GYKXPYSPSJRNGM-AEFFLSMTSA-N 3 1 295.515 3.138 20 0 CGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000422904565 279254825 /nfs/dbraw/zinc/25/48/25/279254825.db2.gz GYKXPYSPSJRNGM-AEFFLSMTSA-N 2 1 295.515 3.138 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000520618933 288135171 /nfs/dbraw/zinc/13/51/71/288135171.db2.gz CAOOHPRHGHETQM-MEQKGCOVSA-N 2 1 284.447 3.364 20 0 CGADMP CC[C@H](c1ccccc1OC)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508392 288169127 /nfs/dbraw/zinc/16/91/27/288169127.db2.gz LBOGPWWLBPYYCQ-FRFSOERESA-N 2 1 276.424 3.063 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)cn1 ZINC000527641124 288179494 /nfs/dbraw/zinc/17/94/94/288179494.db2.gz KXGDKDFJKDKBDJ-ZLIFDBKOSA-N 2 1 296.418 3.100 20 0 CGADMP C/C(Cl)=C/C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000528460015 288201759 /nfs/dbraw/zinc/20/17/59/288201759.db2.gz QHEWCJWXWUSMCQ-TZQNSNDFSA-N 2 1 279.815 3.151 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCCC1(C)C)[NH+]1CCCC1 ZINC000094303785 280255501 /nfs/dbraw/zinc/25/55/01/280255501.db2.gz PHAUVMZHRPBQFL-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000453295640 280296012 /nfs/dbraw/zinc/29/60/12/280296012.db2.gz XPJQZNSNHWGBJC-YIDVYQOGSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCCO2 ZINC000423528675 280407760 /nfs/dbraw/zinc/40/77/60/280407760.db2.gz OUAIXCURHHZFRR-KRWDZBQOSA-N 2 1 288.435 3.249 20 0 CGADMP CC[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000530210273 288299984 /nfs/dbraw/zinc/29/99/84/288299984.db2.gz IXZJDNVDASCDTJ-JSRQGNBESA-N 2 1 290.838 3.098 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000302225524 281170753 /nfs/dbraw/zinc/17/07/53/281170753.db2.gz OUFMOEMHHFWJRL-QAPCUYQASA-N 2 1 295.430 3.464 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119652089 281271952 /nfs/dbraw/zinc/27/19/52/281271952.db2.gz OHMIDBFNBNWBPA-GOSISDBHSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000189370849 281292208 /nfs/dbraw/zinc/29/22/08/281292208.db2.gz ZYUZDWCXZGYSNX-XJNFMUPTSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000189370849 281292211 /nfs/dbraw/zinc/29/22/11/281292211.db2.gz ZYUZDWCXZGYSNX-XJNFMUPTSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000284078925 281345919 /nfs/dbraw/zinc/34/59/19/281345919.db2.gz AZWYAWMAUYDSAM-UZLBHIALSA-N 2 1 298.474 3.390 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C(C1CC1)C1CC1)C1CCCCC1 ZINC000532193597 288354587 /nfs/dbraw/zinc/35/45/87/288354587.db2.gz RZYBCCHLLWMYSD-MRXNPFEDSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000532442754 288361157 /nfs/dbraw/zinc/36/11/57/288361157.db2.gz KKFYOSUFPITAEH-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CCC[NH+](CC)CC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000548918426 289029109 /nfs/dbraw/zinc/02/91/09/289029109.db2.gz RIKVWKZCRWOAOI-GVDBMIGSSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624958 289049004 /nfs/dbraw/zinc/04/90/04/289049004.db2.gz LUOFGIFVSNTWRQ-LMSBXDPUSA-N 2 1 274.452 3.499 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCCC1 ZINC000462796425 289059928 /nfs/dbraw/zinc/05/99/28/289059928.db2.gz PCZRDWIKEKLVRV-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCCCC1 ZINC000510706104 289062059 /nfs/dbraw/zinc/06/20/59/289062059.db2.gz SBLCXRAJFNGDSN-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000550929162 289091087 /nfs/dbraw/zinc/09/10/87/289091087.db2.gz WXZMGIKWRSQVDK-LAVFITLUSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000550929162 289091089 /nfs/dbraw/zinc/09/10/89/289091089.db2.gz WXZMGIKWRSQVDK-LAVFITLUSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000551789487 289132787 /nfs/dbraw/zinc/13/27/87/289132787.db2.gz OQAAOKNGWHOCKM-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000551789487 289132790 /nfs/dbraw/zinc/13/27/90/289132790.db2.gz OQAAOKNGWHOCKM-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000551788703 289132835 /nfs/dbraw/zinc/13/28/35/289132835.db2.gz FXISCGYLAQFRNL-SNRMKQJTSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000551788703 289132839 /nfs/dbraw/zinc/13/28/39/289132839.db2.gz FXISCGYLAQFRNL-SNRMKQJTSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000551793731 289133344 /nfs/dbraw/zinc/13/33/44/289133344.db2.gz GYDUGRCGAMZINB-OALUTQOASA-N 2 1 286.463 3.246 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)[C@H](C)C1 ZINC000552043706 289153823 /nfs/dbraw/zinc/15/38/23/289153823.db2.gz ZLMAIWBEAUDGHY-ZJPYXAASSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000552043953 289153949 /nfs/dbraw/zinc/15/39/49/289153949.db2.gz HZCDCIIKROSPPA-ZIAGYGMSSA-N 2 1 296.405 3.217 20 0 CGADMP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000552881085 289201456 /nfs/dbraw/zinc/20/14/56/289201456.db2.gz IAINJVOBXSBRSZ-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000552881085 289201458 /nfs/dbraw/zinc/20/14/58/289201458.db2.gz IAINJVOBXSBRSZ-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000554198434 289262617 /nfs/dbraw/zinc/26/26/17/289262617.db2.gz YLKDWKLBPAQHLN-UHFFFAOYSA-N 2 1 270.420 3.140 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccco1)C[NH+]1CCCCC1 ZINC000038041779 289690510 /nfs/dbraw/zinc/69/05/10/289690510.db2.gz LIRXHUIHAYIRMG-KGLIPLIRSA-N 2 1 250.386 3.052 20 0 CGADMP C[C@H](Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422920891 290063316 /nfs/dbraw/zinc/06/33/16/290063316.db2.gz NESYLDQTFSXPKX-CABCVRRESA-N 2 1 287.451 3.081 20 0 CGADMP COC[C@]1(C[NH2+][C@@H](CC(C)C)c2cccs2)CCC[NH2+]1 ZINC000423430758 293294205 /nfs/dbraw/zinc/29/42/05/293294205.db2.gz QDEHWZIEFQAGMC-GOEBONIOSA-N 2 1 296.480 3.194 20 0 CGADMP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC1C[NH2+]C1 ZINC000423304729 295147391 /nfs/dbraw/zinc/14/73/91/295147391.db2.gz PAMWEGVDXSPHHB-HNNXBMFYSA-N 2 1 296.842 3.245 20 0 CGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)cc1 ZINC000414679001 295223759 /nfs/dbraw/zinc/22/37/59/295223759.db2.gz YWKOXIPGUHPCBR-RDJZCZTQSA-N 2 1 276.424 3.206 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)cc1 ZINC000414679001 295223761 /nfs/dbraw/zinc/22/37/61/295223761.db2.gz YWKOXIPGUHPCBR-RDJZCZTQSA-N 2 1 276.424 3.206 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CC2CCC2)C(C)C)cc1 ZINC000420379833 295241075 /nfs/dbraw/zinc/24/10/75/295241075.db2.gz VTCQUWQOQIQHDG-QGZVFWFLSA-N 2 1 290.451 3.248 20 0 CGADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000423331644 295249904 /nfs/dbraw/zinc/24/99/04/295249904.db2.gz MRYZSOSYWDHKAJ-MSOLQXFVSA-N 2 1 288.435 3.063 20 0 CGADMP CC(CC[NH+](C)CC1CC1)CC[N@@H+](C)CC1CC1 ZINC000411177416 528706755 /nfs/dbraw/zinc/70/67/55/528706755.db2.gz ZCQVAUWFYSAIGS-UHFFFAOYSA-N 2 1 252.446 3.086 20 0 CGADMP Fc1ccc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)c(F)c1 ZINC000261638460 303130795 /nfs/dbraw/zinc/13/07/95/303130795.db2.gz AAVTWRNXBWXKNH-KRWDZBQOSA-N 2 1 294.389 3.491 20 0 CGADMP Fc1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000261743598 303131735 /nfs/dbraw/zinc/13/17/35/303131735.db2.gz BPCOLWASKAFVRT-WMLDXEAASA-N 2 1 276.399 3.352 20 0 CGADMP CCCC[NH+](CCCC)CCCc1c[nH+]cn1C ZINC000563353551 321991883 /nfs/dbraw/zinc/99/18/83/321991883.db2.gz CPCRVCONUBSNAJ-UHFFFAOYSA-N 2 1 251.418 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000563351358 321991894 /nfs/dbraw/zinc/99/18/94/321991894.db2.gz ZLJDAEVDKBEBNY-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1nccn1-c1ccccc1 ZINC000563951086 322016305 /nfs/dbraw/zinc/01/63/05/322016305.db2.gz OKXCCEKMMBKDTP-ZOBUZTSGSA-N 2 1 298.434 3.040 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000565579124 322082587 /nfs/dbraw/zinc/08/25/87/322082587.db2.gz SGYPKSSLYHWWLI-WCXIOVBPSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000565587691 322083041 /nfs/dbraw/zinc/08/30/41/322083041.db2.gz HMVQQYLEVGBYMG-APIJFGDWSA-N 2 1 278.465 3.172 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000565592712 322083292 /nfs/dbraw/zinc/08/32/92/322083292.db2.gz NCFHJDMVAMQSFQ-CZUORRHYSA-N 2 1 264.413 3.098 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C[C@H]1OC ZINC000565811046 322092140 /nfs/dbraw/zinc/09/21/40/322092140.db2.gz SJRVEJQKGKETGQ-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566415518 322120812 /nfs/dbraw/zinc/12/08/12/322120812.db2.gz BOLXVELHSMUCJS-FOWTUZBSSA-N 2 1 283.419 3.388 20 0 CGADMP C/C(=C\c1ccccc1)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000566415518 322120815 /nfs/dbraw/zinc/12/08/15/322120815.db2.gz BOLXVELHSMUCJS-FOWTUZBSSA-N 2 1 283.419 3.388 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)c(C)c1 ZINC000566417026 322121582 /nfs/dbraw/zinc/12/15/82/322121582.db2.gz MOSYWEZHUBNPJV-KRWDZBQOSA-N 2 1 297.446 3.459 20 0 CGADMP Cc1ccc([C@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)c(C)c1 ZINC000566417026 322121584 /nfs/dbraw/zinc/12/15/84/322121584.db2.gz MOSYWEZHUBNPJV-KRWDZBQOSA-N 2 1 297.446 3.459 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000567068671 322149401 /nfs/dbraw/zinc/14/94/01/322149401.db2.gz ZTBJUUOYRCBUAQ-VQHPVUNQSA-N 2 1 264.457 3.441 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000567246185 322155933 /nfs/dbraw/zinc/15/59/33/322155933.db2.gz HZAHKSFHNIERJT-LBPRGKRZSA-N 2 1 289.345 3.016 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000567246185 322155935 /nfs/dbraw/zinc/15/59/35/322155935.db2.gz HZAHKSFHNIERJT-LBPRGKRZSA-N 2 1 289.345 3.016 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC(F)(F)F)C1 ZINC000567429733 322162773 /nfs/dbraw/zinc/16/27/73/322162773.db2.gz ZTNCJDWPIZPTRQ-RYUDHWBXSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@@]1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCC[NH2+]C1 ZINC000567654827 322172291 /nfs/dbraw/zinc/17/22/91/322172291.db2.gz MINNJAZDPLDVSG-DOTOQJQBSA-N 2 1 290.455 3.010 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000568483374 322211037 /nfs/dbraw/zinc/21/10/37/322211037.db2.gz DIRYVBXBOROAMF-IVMQYODDSA-N 2 1 286.463 3.427 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000568566986 322213926 /nfs/dbraw/zinc/21/39/26/322213926.db2.gz ZLIZCIMTMLXLSG-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000568566986 322213928 /nfs/dbraw/zinc/21/39/28/322213928.db2.gz ZLIZCIMTMLXLSG-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1Cl ZINC000568566986 322213930 /nfs/dbraw/zinc/21/39/30/322213930.db2.gz ZLIZCIMTMLXLSG-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1Cl ZINC000568566986 322213932 /nfs/dbraw/zinc/21/39/32/322213932.db2.gz ZLIZCIMTMLXLSG-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1coc(-c2ccccc2)n1 ZINC000568799886 322223305 /nfs/dbraw/zinc/22/33/05/322223305.db2.gz GJMONIKKPCCDPE-PBHICJAKSA-N 2 1 299.418 3.114 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000569256637 322241181 /nfs/dbraw/zinc/24/11/81/322241181.db2.gz QMFIAQKETZHQDQ-UKRRQHHQSA-N 2 1 263.429 3.157 20 0 CGADMP C[C@@H](CC[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000570262135 322269022 /nfs/dbraw/zinc/26/90/22/322269022.db2.gz IKLCXKNQWHVARH-JTQLQIEISA-N 2 1 295.839 3.290 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000570489039 322274858 /nfs/dbraw/zinc/27/48/58/322274858.db2.gz IJYGRSSTRZVVCU-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000570489039 322274860 /nfs/dbraw/zinc/27/48/60/322274860.db2.gz IJYGRSSTRZVVCU-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000570556239 322276516 /nfs/dbraw/zinc/27/65/16/322276516.db2.gz WXZGXQQWBYJBDZ-LAQRGFTBSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000570556239 322276518 /nfs/dbraw/zinc/27/65/18/322276518.db2.gz WXZGXQQWBYJBDZ-LAQRGFTBSA-N 2 1 274.452 3.497 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000571033837 322287950 /nfs/dbraw/zinc/28/79/50/322287950.db2.gz AGQZECQORYMRIC-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000571033837 322287951 /nfs/dbraw/zinc/28/79/51/322287951.db2.gz AGQZECQORYMRIC-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP CCSCC[C@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571335709 322296192 /nfs/dbraw/zinc/29/61/92/322296192.db2.gz COARJPSGVWHBPS-AWEZNQCLSA-N 2 1 292.492 3.296 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000571942670 322313053 /nfs/dbraw/zinc/31/30/53/322313053.db2.gz JNLLUZRVPILJEX-LAQRGFTBSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1c[nH+]ccc1N ZINC000572147754 322322619 /nfs/dbraw/zinc/32/26/19/322322619.db2.gz CRGMNPIDXWALEI-JOQOYGCGSA-N 2 1 297.402 3.065 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccsc2Cl)C1 ZINC000572166489 322322882 /nfs/dbraw/zinc/32/28/82/322322882.db2.gz DFZQQOOUUCALIQ-DGCLKSJQSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000572503258 322340866 /nfs/dbraw/zinc/34/08/66/322340866.db2.gz OFDGVPYUPYNBKG-HOTGVXAUSA-N 2 1 294.389 3.457 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000572503258 322340868 /nfs/dbraw/zinc/34/08/68/322340868.db2.gz OFDGVPYUPYNBKG-HOTGVXAUSA-N 2 1 294.389 3.457 20 0 CGADMP CC[NH+](Cc1cncc(C[N@H+](CC)C2CC2)c1)C1CC1 ZINC000572828796 322356900 /nfs/dbraw/zinc/35/69/00/322356900.db2.gz LZZBFGVBZGYRNI-UHFFFAOYSA-N 2 1 273.424 3.050 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1cccc2ccccc21 ZINC000573621574 322397588 /nfs/dbraw/zinc/39/75/88/322397588.db2.gz DXFBZQTYADEKRA-DOTOQJQBSA-N 2 1 298.430 3.420 20 0 CGADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000577561959 327273045 /nfs/dbraw/zinc/27/30/45/327273045.db2.gz KPCGYAFEDCUSRM-SJLPKXTDSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000577561959 327273046 /nfs/dbraw/zinc/27/30/46/327273046.db2.gz KPCGYAFEDCUSRM-SJLPKXTDSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC000577561959 327273048 /nfs/dbraw/zinc/27/30/48/327273048.db2.gz KPCGYAFEDCUSRM-SJLPKXTDSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC000577561959 327273050 /nfs/dbraw/zinc/27/30/50/327273050.db2.gz KPCGYAFEDCUSRM-SJLPKXTDSA-N 2 1 274.452 3.384 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000582725750 329131432 /nfs/dbraw/zinc/13/14/32/329131432.db2.gz ZRECUVWVBNIZGS-UWVGGRQHSA-N 2 1 281.450 3.087 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000397265990 329346703 /nfs/dbraw/zinc/34/67/03/329346703.db2.gz KIRFOHKGXBLEBP-YCPHGPKFSA-N 2 1 283.419 3.040 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCN3CCC2CC3)cc1 ZINC000576148570 335160840 /nfs/dbraw/zinc/16/08/40/335160840.db2.gz LSMLRMXKZRFKFW-UHFFFAOYSA-N 2 1 272.436 3.133 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000576367136 335195292 /nfs/dbraw/zinc/19/52/92/335195292.db2.gz KUXIAZLYAYDDLW-RDJZCZTQSA-N 2 1 290.451 3.090 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000576367136 335195293 /nfs/dbraw/zinc/19/52/93/335195293.db2.gz KUXIAZLYAYDDLW-RDJZCZTQSA-N 2 1 290.451 3.090 20 0 CGADMP Cc1ccncc1CCC[N@H+](C)CCc1ccccc1O ZINC000576672331 335233256 /nfs/dbraw/zinc/23/32/56/335233256.db2.gz RYXBACJTGUMUOZ-UHFFFAOYSA-N 2 1 284.403 3.203 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000577032644 335285490 /nfs/dbraw/zinc/28/54/90/335285490.db2.gz UWVKEERVMWVQRZ-JKSUJKDBSA-N 2 1 262.441 3.184 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000577032644 335285491 /nfs/dbraw/zinc/28/54/91/335285491.db2.gz UWVKEERVMWVQRZ-JKSUJKDBSA-N 2 1 262.441 3.184 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1(C)CC1 ZINC000177969650 335407136 /nfs/dbraw/zinc/40/71/36/335407136.db2.gz KABCPRCOCLRELW-MRXNPFEDSA-N 2 1 286.463 3.472 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000182591770 335828700 /nfs/dbraw/zinc/82/87/00/335828700.db2.gz YIKJOCRWHUEDAV-RHSMWYFYSA-N 2 1 262.441 3.195 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCC3)CC23CC3)cc1 ZINC000581823728 336147593 /nfs/dbraw/zinc/14/75/93/336147593.db2.gz AADBIQZOHPESDK-KRWDZBQOSA-N 2 1 270.420 3.326 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCC3)CC23CC3)cc1 ZINC000581823728 336147594 /nfs/dbraw/zinc/14/75/94/336147594.db2.gz AADBIQZOHPESDK-KRWDZBQOSA-N 2 1 270.420 3.326 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000386184562 336167675 /nfs/dbraw/zinc/16/76/75/336167675.db2.gz JEOKJQXETDPOPG-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000220234016 572875797 /nfs/dbraw/zinc/87/57/97/572875797.db2.gz GMWBAAMVCKYQDZ-DOMZBBRYSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000220234016 572875801 /nfs/dbraw/zinc/87/58/01/572875801.db2.gz GMWBAAMVCKYQDZ-DOMZBBRYSA-N 2 1 266.816 3.208 20 0 CGADMP C[NH2+]CCC[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000414864475 500616138 /nfs/dbraw/zinc/61/61/38/500616138.db2.gz ZEJJMBSTIWAZNZ-UHFFFAOYSA-N 2 1 298.430 3.370 20 0 CGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc2ccccc21 ZINC000449170623 533905905 /nfs/dbraw/zinc/90/59/05/533905905.db2.gz IVZOYYZDDDINPF-PBHICJAKSA-N 2 1 298.430 3.421 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cnc2ccsc2c1 ZINC000423496453 533993883 /nfs/dbraw/zinc/99/38/83/533993883.db2.gz DWVQWUXPBGLJJY-XHDPSFHLSA-N 2 1 289.448 3.464 20 0 CGADMP CSc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422880676 534147264 /nfs/dbraw/zinc/14/72/64/534147264.db2.gz XLIFUUFIXLKZMV-YIONKMFJSA-N 2 1 276.449 3.090 20 0 CGADMP Brc1c[nH+]ccc1NCC[NH+]1CCCCCC1 ZINC000163906085 518233373 /nfs/dbraw/zinc/23/33/73/518233373.db2.gz PMOHLOSXKBXQET-UHFFFAOYSA-N 2 1 298.228 3.132 20 0 CGADMP F[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411770520 534435766 /nfs/dbraw/zinc/43/57/66/534435766.db2.gz CWSCGQKHYHUKJG-KRWDZBQOSA-N 2 1 276.399 3.216 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc[nH]c2)c1 ZINC000086251998 519629251 /nfs/dbraw/zinc/62/92/51/519629251.db2.gz WDKIFUWVTHZCBV-UHFFFAOYSA-N 2 1 271.408 3.145 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CC2 ZINC000423500104 534439190 /nfs/dbraw/zinc/43/91/90/534439190.db2.gz CTCFFJWYJSOSMB-IRXDYDNUSA-N 2 1 258.409 3.089 20 0 CGADMP Cc1ccoc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358480631 534447504 /nfs/dbraw/zinc/44/75/04/534447504.db2.gz GMYSORYUDBWKJA-LSDHHAIUSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccoc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358480631 534447510 /nfs/dbraw/zinc/44/75/10/534447510.db2.gz GMYSORYUDBWKJA-LSDHHAIUSA-N 2 1 276.424 3.331 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160806654 520622414 /nfs/dbraw/zinc/62/24/14/520622414.db2.gz OAFLLFLUOSRZTB-UHFFFAOYSA-N 2 1 272.795 3.301 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157478537 520720660 /nfs/dbraw/zinc/72/06/60/520720660.db2.gz LAEIQZXIXJNUHX-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP CCOc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157387419 521375277 /nfs/dbraw/zinc/37/52/77/521375277.db2.gz YWPYLSBIRARYGV-MSOLQXFVSA-N 2 1 282.387 3.320 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000163873252 521647329 /nfs/dbraw/zinc/64/73/29/521647329.db2.gz GHOHOQPQNVGKSF-AWEZNQCLSA-N 2 1 292.471 3.256 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000037643760 521710553 /nfs/dbraw/zinc/71/05/53/521710553.db2.gz VNMUJCVNCNYMGA-ZDUSSCGKSA-N 2 1 286.341 3.137 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000290148717 522202719 /nfs/dbraw/zinc/20/27/19/522202719.db2.gz LDUWTYSIVMUGDS-KBAYOESNSA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000290148717 522202726 /nfs/dbraw/zinc/20/27/26/522202726.db2.gz LDUWTYSIVMUGDS-KBAYOESNSA-N 2 1 290.451 3.054 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000049330254 524024733 /nfs/dbraw/zinc/02/47/33/524024733.db2.gz WDRJWFFRFOCXKS-CYBMUJFWSA-N 2 1 257.381 3.105 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000262035819 524070031 /nfs/dbraw/zinc/07/00/31/524070031.db2.gz XRYWVTSDXPBZEP-LBPRGKRZSA-N 2 1 266.816 3.073 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000262035819 524070033 /nfs/dbraw/zinc/07/00/33/524070033.db2.gz XRYWVTSDXPBZEP-LBPRGKRZSA-N 2 1 266.816 3.073 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000049553463 524477004 /nfs/dbraw/zinc/47/70/04/524477004.db2.gz LORALXNFWPYGIS-STQMWFEESA-N 2 1 260.381 3.424 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)cc1 ZINC000290337096 524898208 /nfs/dbraw/zinc/89/82/08/524898208.db2.gz FENYCGOTPVOWGC-XUOJHOASSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)cc1 ZINC000290337096 524898224 /nfs/dbraw/zinc/89/82/24/524898224.db2.gz FENYCGOTPVOWGC-XUOJHOASSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290337096 524898228 /nfs/dbraw/zinc/89/82/28/524898228.db2.gz FENYCGOTPVOWGC-XUOJHOASSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290337096 524898239 /nfs/dbraw/zinc/89/82/39/524898239.db2.gz FENYCGOTPVOWGC-XUOJHOASSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150292677 525012731 /nfs/dbraw/zinc/01/27/31/525012731.db2.gz WJOSPBGXJTWXPN-BXUZGUMPSA-N 2 1 268.351 3.183 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449089536 527742701 /nfs/dbraw/zinc/74/27/01/527742701.db2.gz KDRURIWBFRRYIH-HJOIGYKYSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCOC(C)(C)C)C[C@@H]1C ZINC000354860930 527753151 /nfs/dbraw/zinc/75/31/51/527753151.db2.gz PXNJJSULMBASDK-JKSUJKDBSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCOC(C)(C)C)C[C@@H]1C ZINC000354860930 527753155 /nfs/dbraw/zinc/75/31/55/527753155.db2.gz PXNJJSULMBASDK-JKSUJKDBSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCOC(C)(C)C)C[C@@H]1C ZINC000354860930 527753158 /nfs/dbraw/zinc/75/31/58/527753158.db2.gz PXNJJSULMBASDK-JKSUJKDBSA-N 2 1 284.488 3.386 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)C1 ZINC000449089924 527814842 /nfs/dbraw/zinc/81/48/42/527814842.db2.gz LWWYGQDBVYBPBV-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(C)cc2)C1 ZINC000176280600 527836892 /nfs/dbraw/zinc/83/68/92/527836892.db2.gz QFXWDYAHMNKCPX-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC000176280600 527836901 /nfs/dbraw/zinc/83/69/01/527836901.db2.gz QFXWDYAHMNKCPX-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000176280600 527836906 /nfs/dbraw/zinc/83/69/06/527836906.db2.gz QFXWDYAHMNKCPX-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000449061411 527859670 /nfs/dbraw/zinc/85/96/70/527859670.db2.gz IOHMDVSIRVFAPP-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414235054 527884803 /nfs/dbraw/zinc/88/48/03/527884803.db2.gz TXKYQBGHBPQWBY-PBHICJAKSA-N 2 1 289.467 3.199 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414235054 527884806 /nfs/dbraw/zinc/88/48/06/527884806.db2.gz TXKYQBGHBPQWBY-PBHICJAKSA-N 2 1 289.467 3.199 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449188637 527955548 /nfs/dbraw/zinc/95/55/48/527955548.db2.gz SSXGUNIJZOSMDN-JFIYKMOQSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)O[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000428253462 528076022 /nfs/dbraw/zinc/07/60/22/528076022.db2.gz QSCSJORBQUAIAQ-FUHWJXTLSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000369361610 528104627 /nfs/dbraw/zinc/10/46/27/528104627.db2.gz GQZOHGQXRPSBSM-UHFFFAOYSA-N 2 1 295.496 3.363 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449091797 528254783 /nfs/dbraw/zinc/25/47/83/528254783.db2.gz KUEXSDMHETXBMT-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000177243979 528260955 /nfs/dbraw/zinc/26/09/55/528260955.db2.gz VMRNZBBFLAHEST-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)c1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424297556 528276562 /nfs/dbraw/zinc/27/65/62/528276562.db2.gz SXIPBKRFAGCGTQ-ZDUSSCGKSA-N 2 1 293.480 3.231 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000423255746 528310565 /nfs/dbraw/zinc/31/05/65/528310565.db2.gz AQYKBTBEJFZADO-UWVGGRQHSA-N 2 1 260.834 3.426 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000423281315 528315194 /nfs/dbraw/zinc/31/51/94/528315194.db2.gz UFPNYNCKTINEMH-XQQFMLRXSA-N 2 1 281.469 3.435 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423274947 528519332 /nfs/dbraw/zinc/51/93/32/528519332.db2.gz MPIPIXWHTPYXIT-BXUZGUMPSA-N 2 1 299.256 3.473 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423259685 528531413 /nfs/dbraw/zinc/53/14/13/528531413.db2.gz FNTXMTVTFPIGTQ-GWCFXTLKSA-N 2 1 285.229 3.083 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423267741 528533806 /nfs/dbraw/zinc/53/38/06/528533806.db2.gz FSAJTJKAOXYGTN-GWCFXTLKSA-N 2 1 290.329 3.219 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)C)[C@@H](C)C1 ZINC000437076620 528665100 /nfs/dbraw/zinc/66/51/00/528665100.db2.gz OVVXANVLZATGLO-DLBZAZTESA-N 2 1 298.515 3.395 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000359639385 528818950 /nfs/dbraw/zinc/81/89/50/528818950.db2.gz KQHPAHNPHDKHOF-MRXNPFEDSA-N 2 1 294.414 3.359 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000359639385 528818951 /nfs/dbraw/zinc/81/89/51/528818951.db2.gz KQHPAHNPHDKHOF-MRXNPFEDSA-N 2 1 294.414 3.359 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000414811982 528948438 /nfs/dbraw/zinc/94/84/38/528948438.db2.gz QMPHKKBYAJEGLD-UHFFFAOYSA-N 2 1 254.805 3.256 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423287843 528951159 /nfs/dbraw/zinc/95/11/59/528951159.db2.gz OVXFDYDBZFACTQ-CYBMUJFWSA-N 2 1 282.428 3.470 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000423289614 528954264 /nfs/dbraw/zinc/95/42/64/528954264.db2.gz XVTANBQJDQDCSU-OAHLLOKOSA-N 2 1 263.429 3.276 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423304445 528955277 /nfs/dbraw/zinc/95/52/77/528955277.db2.gz YVADLEMJCWTFSJ-SJORKVTESA-N 2 1 260.425 3.115 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000437091950 528988665 /nfs/dbraw/zinc/98/86/65/528988665.db2.gz RKWXRKYVTSEREH-LBPRGKRZSA-N 2 1 266.351 3.037 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423264325 529071889 /nfs/dbraw/zinc/07/18/89/529071889.db2.gz PXMVGEYCYRAHLS-CXAGYDPISA-N 2 1 256.393 3.474 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000437756482 529085822 /nfs/dbraw/zinc/08/58/22/529085822.db2.gz GYNHPMSUMBPGBO-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000437756482 529085826 /nfs/dbraw/zinc/08/58/26/529085826.db2.gz GYNHPMSUMBPGBO-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000414170672 529121209 /nfs/dbraw/zinc/12/12/09/529121209.db2.gz CCGDHDYOPQBROE-PBHICJAKSA-N 2 1 293.430 3.239 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)c1ncccc1C)[C@H]1CCCC[NH2+]1 ZINC000423143227 529156300 /nfs/dbraw/zinc/15/63/00/529156300.db2.gz WNGWXSYTQCBEEQ-HZPDHXFCSA-N 2 1 289.467 3.178 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(OC)c1 ZINC000359645192 529160799 /nfs/dbraw/zinc/16/07/99/529160799.db2.gz RSXUPPVAEISCLG-QGZVFWFLSA-N 2 1 278.440 3.466 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1cc(Cl)ccc1OC ZINC000423267437 529177443 /nfs/dbraw/zinc/17/74/43/529177443.db2.gz FABZTIARANPJBM-BXUZGUMPSA-N 2 1 284.831 3.245 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(F)c1 ZINC000423494248 529201708 /nfs/dbraw/zinc/20/17/08/529201708.db2.gz AIYKFRSPSLEBEE-CVEARBPZSA-N 2 1 264.388 3.384 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000414949675 535020583 /nfs/dbraw/zinc/02/05/83/535020583.db2.gz GJJLTIYSOVHWRH-XIRDDKMYSA-N 2 1 260.425 3.156 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCC2CCCCC2)CC1 ZINC000483150976 535457777 /nfs/dbraw/zinc/45/77/77/535457777.db2.gz IOELOUZYDQKOQV-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCC2CCCCC2)CC1 ZINC000483150976 535457781 /nfs/dbraw/zinc/45/77/81/535457781.db2.gz IOELOUZYDQKOQV-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000450753173 535594085 /nfs/dbraw/zinc/59/40/85/535594085.db2.gz HJHAUZYHWMEDIW-SJLPKXTDSA-N 2 1 289.467 3.380 20 0 CGADMP CC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470002415 536099156 /nfs/dbraw/zinc/09/91/56/536099156.db2.gz JEDSURLAQNCPKH-NAZJXLNTSA-N 2 1 272.436 3.395 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380619 536557176 /nfs/dbraw/zinc/55/71/76/536557176.db2.gz MOPRFWIGUNQKIL-CQSZACIVSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380619 536557178 /nfs/dbraw/zinc/55/71/78/536557178.db2.gz MOPRFWIGUNQKIL-CQSZACIVSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccoc2)C1 ZINC000727467340 571747533 /nfs/dbraw/zinc/74/75/33/571747533.db2.gz SQHSVULFQFQLND-GASCZTMLSA-N 2 1 264.413 3.127 20 0 CGADMP ClC1(Cl)C[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738882780 572396006 /nfs/dbraw/zinc/39/60/06/572396006.db2.gz VJKVATZPUGSJSE-QWHCGFSZSA-N 2 1 291.266 3.131 20 0 CGADMP ClC1(Cl)C[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738882780 572396011 /nfs/dbraw/zinc/39/60/11/572396011.db2.gz VJKVATZPUGSJSE-QWHCGFSZSA-N 2 1 291.266 3.131 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2nccc3ccccc32)C1 ZINC000749288167 572991591 /nfs/dbraw/zinc/99/15/91/572991591.db2.gz WRVYKXMHZPGRDI-HOTGVXAUSA-N 2 1 283.419 3.197 20 0 CGADMP Cc1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c(C)o1 ZINC000093660099 618403768 /nfs/dbraw/zinc/40/37/68/618403768.db2.gz AHMJLXYLEBVXBI-INIZCTEOSA-N 2 1 264.413 3.203 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892122191 618544073 /nfs/dbraw/zinc/54/40/73/618544073.db2.gz SSDJSWKQYQTPLI-CRAIPNDOSA-N 2 1 272.436 3.206 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(CC(C)C)nc2)C1 ZINC000892146801 618557730 /nfs/dbraw/zinc/55/77/30/618557730.db2.gz YRJQHWKDEDNFBG-QGZVFWFLSA-N 2 1 289.467 3.054 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000044532916 618614791 /nfs/dbraw/zinc/61/47/91/618614791.db2.gz ZZBVDGHCYXHSJT-RHSMWYFYSA-N 2 1 288.435 3.004 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000892431773 618777521 /nfs/dbraw/zinc/77/75/21/618777521.db2.gz DTOHZEOMCSQFHR-UHFFFAOYSA-N 2 1 286.341 3.337 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCC(F)(F)F ZINC000149875559 618794042 /nfs/dbraw/zinc/79/40/42/618794042.db2.gz MZHLBWHUPYBFRA-YOGCLGLASA-N 2 1 264.335 3.063 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCC(F)(F)F ZINC000149875559 618794044 /nfs/dbraw/zinc/79/40/44/618794044.db2.gz MZHLBWHUPYBFRA-YOGCLGLASA-N 2 1 264.335 3.063 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](Cc2cccs2)C2CC2)CC[NH2+]1 ZINC000235742240 618822739 /nfs/dbraw/zinc/82/27/39/618822739.db2.gz LARVZZGTHBCSTO-STQMWFEESA-N 2 1 264.438 3.101 20 0 CGADMP Cc1nc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)sc1C ZINC000892584335 618867772 /nfs/dbraw/zinc/86/77/72/618867772.db2.gz JEOVGXFMWUZQSC-CYBMUJFWSA-N 2 1 295.496 3.362 20 0 CGADMP COC1CCC(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000892584790 618868197 /nfs/dbraw/zinc/86/81/97/618868197.db2.gz NRWAWKYKTIMTAP-AOCRQIFASA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000775397876 619072973 /nfs/dbraw/zinc/07/29/73/619072973.db2.gz YDCNFQWEYMCKDM-IRXDYDNUSA-N 2 1 260.425 3.386 20 0 CGADMP COC1CCC(CCN[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925648682 619106895 /nfs/dbraw/zinc/10/68/95/619106895.db2.gz WRSBAZXKMVTZHB-RYKRPPSOSA-N 2 1 290.451 3.260 20 0 CGADMP COC1CCC(CC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925648682 619106898 /nfs/dbraw/zinc/10/68/98/619106898.db2.gz WRSBAZXKMVTZHB-RYKRPPSOSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000925724908 619181479 /nfs/dbraw/zinc/18/14/79/619181479.db2.gz NXCAYIJPAXFDKJ-IAQYHMDHSA-N 2 1 291.826 3.094 20 0 CGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925735628 619210055 /nfs/dbraw/zinc/21/00/55/619210055.db2.gz HQKPNLQBCVEJQU-OAHLLOKOSA-N 2 1 296.842 3.359 20 0 CGADMP CC(C)([NH3+])CC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000925738269 619212046 /nfs/dbraw/zinc/21/20/46/619212046.db2.gz PRUSBKBWNSBXFW-INIZCTEOSA-N 2 1 287.382 3.027 20 0 CGADMP CC(C)([NH3+])CC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000925738270 619212075 /nfs/dbraw/zinc/21/20/75/619212075.db2.gz PRUSBKBWNSBXFW-MRXNPFEDSA-N 2 1 287.382 3.027 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]C[C@]34C[C@H]3CCC4)CC[NH2+]2)cc1 ZINC000925881854 619306849 /nfs/dbraw/zinc/30/68/49/619306849.db2.gz VTLJMMFRSFZAJE-XDNAFOTISA-N 2 1 270.420 3.260 20 0 CGADMP CC[N@@H+](Cc1ocnc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000894763867 619629901 /nfs/dbraw/zinc/62/99/01/619629901.db2.gz CKQQBTNFKLLBRE-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP CC[N@@H+](CCC[NH2+]C1CCC(C)(O)CC1)C1CCCCC1 ZINC000895144438 619752825 /nfs/dbraw/zinc/75/28/25/619752825.db2.gz HNHPGZWPDQBXBH-UHFFFAOYSA-N 2 1 296.499 3.314 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)s1 ZINC000895375417 619817302 /nfs/dbraw/zinc/81/73/02/619817302.db2.gz AWGPUWFMNYYPRC-IUODEOHRSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)s1 ZINC000895375417 619817305 /nfs/dbraw/zinc/81/73/05/619817305.db2.gz AWGPUWFMNYYPRC-IUODEOHRSA-N 2 1 281.469 3.004 20 0 CGADMP CCc1cnc(C[N@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000895682594 619872368 /nfs/dbraw/zinc/87/23/68/619872368.db2.gz HLGLEBXRVULQJE-UHFFFAOYSA-N 2 1 295.496 3.403 20 0 CGADMP CCc1cnc(C[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000895682594 619872369 /nfs/dbraw/zinc/87/23/69/619872369.db2.gz HLGLEBXRVULQJE-UHFFFAOYSA-N 2 1 295.496 3.403 20 0 CGADMP Cc1cc(F)ncc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000896027226 619934258 /nfs/dbraw/zinc/93/42/58/619934258.db2.gz IDXNAUXTCYJQLU-UHFFFAOYSA-N 2 1 293.430 3.227 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000872079995 620276768 /nfs/dbraw/zinc/27/67/68/620276768.db2.gz RNZPOWCNWPHVTC-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841030117 620407869 /nfs/dbraw/zinc/40/78/69/620407869.db2.gz KQVBSYVNPBYMDJ-OAHLLOKOSA-N 2 1 276.424 3.007 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621638 620410588 /nfs/dbraw/zinc/41/05/88/620410588.db2.gz LRDXIYRLTNWJDT-NZSAHSFTSA-N 2 1 286.463 3.139 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621638 620410590 /nfs/dbraw/zinc/41/05/90/620410590.db2.gz LRDXIYRLTNWJDT-NZSAHSFTSA-N 2 1 286.463 3.139 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621638 620410592 /nfs/dbraw/zinc/41/05/92/620410592.db2.gz LRDXIYRLTNWJDT-NZSAHSFTSA-N 2 1 286.463 3.139 20 0 CGADMP c1cc2ccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2[nH]1 ZINC000897977147 620461440 /nfs/dbraw/zinc/46/14/40/620461440.db2.gz CGNDHLZERWSWRI-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP CNc1ccccc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000902064772 621135282 /nfs/dbraw/zinc/13/52/82/621135282.db2.gz ANLLRTQDMVYSGV-MRXNPFEDSA-N 2 1 289.467 3.473 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000902360751 621290006 /nfs/dbraw/zinc/29/00/06/621290006.db2.gz JLNKJRNFWNOVFC-CYBMUJFWSA-N 2 1 276.399 3.183 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)CCO2 ZINC000902403549 621307751 /nfs/dbraw/zinc/30/77/51/621307751.db2.gz IJLUDVSGXLLCEC-UUWFMWQGSA-N 2 1 294.398 3.417 20 0 CGADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415570 621308512 /nfs/dbraw/zinc/30/85/12/621308512.db2.gz ISUSXOUDTAUYLT-JZIMQPMSSA-N 2 1 288.435 3.044 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466819 621338710 /nfs/dbraw/zinc/33/87/10/621338710.db2.gz NGABANCBSPAUCR-NNCYVUHOSA-N 2 1 290.838 3.459 20 0 CGADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)COC1CCCC1 ZINC000903084122 621564128 /nfs/dbraw/zinc/56/41/28/621564128.db2.gz VXDIMCFMORPFLM-ZXFUBFMLSA-N 2 1 292.467 3.083 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903090920 621566940 /nfs/dbraw/zinc/56/69/40/621566940.db2.gz JJUGKBBYTZYOBH-CRAIPNDOSA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903090920 621566943 /nfs/dbraw/zinc/56/69/43/621566943.db2.gz JJUGKBBYTZYOBH-CRAIPNDOSA-N 2 1 287.451 3.243 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1(C2CC2)CCC1 ZINC000903127690 621590155 /nfs/dbraw/zinc/59/01/55/621590155.db2.gz JVLXKEUQXXMYCI-ZXFUBFMLSA-N 2 1 274.452 3.314 20 0 CGADMP CSC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000903156956 621602012 /nfs/dbraw/zinc/60/20/12/621602012.db2.gz SPFWHYRFJXWGIH-SHARSMKWSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1C[C@H]1C1CC1 ZINC000903379577 621722509 /nfs/dbraw/zinc/72/25/09/621722509.db2.gz YIKOCMSQAFWMSI-XDKFSHSGSA-N 2 1 287.451 3.099 20 0 CGADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)c1ccc(F)cc1 ZINC000903430768 621744611 /nfs/dbraw/zinc/74/46/11/621744611.db2.gz ALBGTFMAUZHXBX-NFAWXSAZSA-N 2 1 264.388 3.064 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903450456 621760390 /nfs/dbraw/zinc/76/03/90/621760390.db2.gz WFXPXCKGNSLNKA-CQSZACIVSA-N 2 1 278.465 3.359 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC000903474727 621763652 /nfs/dbraw/zinc/76/36/52/621763652.db2.gz RPDNKPHHFIBDRQ-WCQYABFASA-N 2 1 298.352 3.191 20 0 CGADMP C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482927 621765705 /nfs/dbraw/zinc/76/57/05/621765705.db2.gz YSGOHHOCIKMXMW-PVAVHDDUSA-N 2 1 258.409 3.125 20 0 CGADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903565383 621767607 /nfs/dbraw/zinc/76/76/07/621767607.db2.gz IQFKFMIEOBUFML-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903727580 621796860 /nfs/dbraw/zinc/79/68/60/621796860.db2.gz VLWDCSZBWUOYLF-SJORKVTESA-N 2 1 272.436 3.174 20 0 CGADMP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903785237 621808555 /nfs/dbraw/zinc/80/85/55/621808555.db2.gz WWJXAKHPDOZIBF-IHRRRGAJSA-N 2 1 290.373 3.041 20 0 CGADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC[NH2+]C1 ZINC000903788355 621808841 /nfs/dbraw/zinc/80/88/41/621808841.db2.gz IYXSWLGWUCXBPP-AVOUXACISA-N 2 1 286.410 3.274 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCC1 ZINC000903813281 621814969 /nfs/dbraw/zinc/81/49/69/621814969.db2.gz ZPFMPFYRJYNNHI-XGUBFFRZSA-N 2 1 298.421 3.261 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000903890293 621824114 /nfs/dbraw/zinc/82/41/14/621824114.db2.gz BEVDEVAMRCOGTF-HUUCEWRRSA-N 2 1 282.378 3.239 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000903890293 621824116 /nfs/dbraw/zinc/82/41/16/621824116.db2.gz BEVDEVAMRCOGTF-HUUCEWRRSA-N 2 1 282.378 3.239 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903881301 621826335 /nfs/dbraw/zinc/82/63/35/621826335.db2.gz YEMIYDWTLOYFKQ-IKKMQULASA-N 2 1 294.389 3.488 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903895467 621828276 /nfs/dbraw/zinc/82/82/76/621828276.db2.gz OGLPZHCORYAQRN-UXDRXVOSSA-N 2 1 286.463 3.388 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903897903 621829036 /nfs/dbraw/zinc/82/90/36/621829036.db2.gz KIOVLWMNSRLJGR-HUUCDWIBSA-N 2 1 284.447 3.395 20 0 CGADMP CCS[C@H]1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903897502 621829153 /nfs/dbraw/zinc/82/91/53/621829153.db2.gz FEFDUZBCKCEKTJ-AQBKWJQSSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903899233 621830141 /nfs/dbraw/zinc/83/01/41/621830141.db2.gz RFPPZFQNJCTUNR-CHWSQXEVSA-N 2 1 262.388 3.260 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903899233 621830142 /nfs/dbraw/zinc/83/01/42/621830142.db2.gz RFPPZFQNJCTUNR-CHWSQXEVSA-N 2 1 262.388 3.260 20 0 CGADMP Cc1cccc([C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000903912695 621832574 /nfs/dbraw/zinc/83/25/74/621832574.db2.gz HPZQCDLHRVBJLT-OTHOMEOQSA-N 2 1 284.447 3.315 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929399 621833955 /nfs/dbraw/zinc/83/39/55/621833955.db2.gz DKNIJWUHVPKCFH-LSDHHAIUSA-N 2 1 294.389 3.239 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929399 621833958 /nfs/dbraw/zinc/83/39/58/621833958.db2.gz DKNIJWUHVPKCFH-LSDHHAIUSA-N 2 1 294.389 3.239 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000903938907 621834714 /nfs/dbraw/zinc/83/47/14/621834714.db2.gz PUFQFXJMOCRORV-UHFFFAOYSA-N 2 1 292.757 3.158 20 0 CGADMP CC1(C)[C@H](c2ccccc2)CC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903930355 621834949 /nfs/dbraw/zinc/83/49/49/621834949.db2.gz YCUUJVANFJTGCL-KGLIPLIRSA-N 2 1 282.378 3.237 20 0 CGADMP CC1(C)[C@H](c2ccccc2)CC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903930355 621834952 /nfs/dbraw/zinc/83/49/52/621834952.db2.gz YCUUJVANFJTGCL-KGLIPLIRSA-N 2 1 282.378 3.237 20 0 CGADMP COc1cc(Cl)c(C[NH2+]CCC(C)(C)[NH3+])cc1Cl ZINC000903938710 621836172 /nfs/dbraw/zinc/83/61/72/621836172.db2.gz HYZMTVUSLPCRTR-UHFFFAOYSA-N 2 1 291.222 3.219 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959755 621837505 /nfs/dbraw/zinc/83/75/05/621837505.db2.gz NNIBVCPBRFENSQ-OTIVFRFGSA-N 2 1 270.420 3.165 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959756 621837624 /nfs/dbraw/zinc/83/76/24/621837624.db2.gz NNIBVCPBRFENSQ-YOCVDRLZSA-N 2 1 270.420 3.165 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCOc2ccccc2)C[C@H]1CC[NH3+] ZINC000903978724 621844974 /nfs/dbraw/zinc/84/49/74/621844974.db2.gz VLTIOVAEPXEWIT-IAGOWNOFSA-N 2 1 290.451 3.152 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304222 621902221 /nfs/dbraw/zinc/90/22/21/621902221.db2.gz VVZPGHGDUPRWMY-JGZJWPJOSA-N 2 1 273.207 3.163 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2)CC2CCC2)C1 ZINC000904313003 621904419 /nfs/dbraw/zinc/90/44/19/621904419.db2.gz ASDUVXPGJBOIKP-CALCHBBNSA-N 2 1 258.409 3.026 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@]2(C)CCC[NH2+]C2)s1 ZINC000904323285 621906686 /nfs/dbraw/zinc/90/66/86/621906686.db2.gz NRCZBAMEWOHOKE-XJKSGUPXSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)s1 ZINC000904323285 621906690 /nfs/dbraw/zinc/90/66/90/621906690.db2.gz NRCZBAMEWOHOKE-XJKSGUPXSA-N 2 1 295.496 3.396 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904376263 621916788 /nfs/dbraw/zinc/91/67/88/621916788.db2.gz NOETVMAGXSADJY-ONGXEEELSA-N 2 1 272.314 3.075 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904376263 621916791 /nfs/dbraw/zinc/91/67/91/621916791.db2.gz NOETVMAGXSADJY-ONGXEEELSA-N 2 1 272.314 3.075 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@H](CC[NH3+])C3)oc2cc1C ZINC000904405628 621918343 /nfs/dbraw/zinc/91/83/43/621918343.db2.gz LNTJOVIKCZKXCZ-AWEZNQCLSA-N 2 1 272.392 3.220 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420141 621921638 /nfs/dbraw/zinc/92/16/38/621921638.db2.gz CZOMKVATYLVKSJ-QFHJOOASSA-N 2 1 284.447 3.038 20 0 CGADMP CCC[C@@](C)([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000904469227 621924727 /nfs/dbraw/zinc/92/47/27/621924727.db2.gz JYTUWKQSKBUXAS-ARWYELJZSA-N 2 1 258.409 3.044 20 0 CGADMP C[C@@H](C[NH2+]Cc1cnc(C(C)(C)C)s1)C[NH+]1CCCC1 ZINC000059181017 622997403 /nfs/dbraw/zinc/99/74/03/622997403.db2.gz USPCUDHYMTVQAM-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252171004 624878438 /nfs/dbraw/zinc/87/84/38/624878438.db2.gz NYDAPEKHKVSDKX-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000069710365 624892249 /nfs/dbraw/zinc/89/22/49/624892249.db2.gz GFLPQPQMAKCDKP-UHFFFAOYSA-N 2 1 272.436 3.492 20 0 CGADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000923272229 626142087 /nfs/dbraw/zinc/14/20/87/626142087.db2.gz DZMQTGNTETXHBH-INIZCTEOSA-N 2 1 278.465 3.145 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923306854 626143914 /nfs/dbraw/zinc/14/39/14/626143914.db2.gz NPVSWEAGVLCQPS-UCMJJCQDSA-N 2 1 289.423 3.041 20 0 CGADMP CCCO[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923313182 626144646 /nfs/dbraw/zinc/14/46/46/626144646.db2.gz OWVTVVNQBZITCI-FBVQUNGASA-N 2 1 294.483 3.188 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923355558 626148818 /nfs/dbraw/zinc/14/88/18/626148818.db2.gz NSPLJAMXFFAGFP-KRWDZBQOSA-N 2 1 262.441 3.032 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923490387 626157518 /nfs/dbraw/zinc/15/75/18/626157518.db2.gz NGCRJPDWOUOYSU-DJIMGWMZSA-N 2 1 272.436 3.023 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923493549 626158294 /nfs/dbraw/zinc/15/82/94/626158294.db2.gz IJZNQOKBCUNDOZ-SMDDNHRTSA-N 2 1 268.351 3.041 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cncc3ccccc32)C1 ZINC000839181374 626326332 /nfs/dbraw/zinc/32/63/32/626326332.db2.gz HRRWRCUNCMQSMS-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000753703895 626462182 /nfs/dbraw/zinc/46/21/82/626462182.db2.gz CQAXRASXBZZTLR-UHFFFAOYSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])Cc1cccc(F)c1 ZINC000020266791 634520479 /nfs/dbraw/zinc/52/04/79/634520479.db2.gz CLLZYUGTPLGBFA-UHFFFAOYSA-N 2 1 252.377 3.167 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)CC1 ZINC000759967427 626933521 /nfs/dbraw/zinc/93/35/21/626933521.db2.gz PMWNATNUXLMCEI-IAGOWNOFSA-N 2 1 272.436 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnc(Cl)c1 ZINC000765039176 627237781 /nfs/dbraw/zinc/23/77/81/627237781.db2.gz QLMAVGUXIPXEDL-IACUBPJLSA-N 2 1 279.815 3.012 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnc(Cl)c1 ZINC000765039176 627237783 /nfs/dbraw/zinc/23/77/83/627237783.db2.gz QLMAVGUXIPXEDL-IACUBPJLSA-N 2 1 279.815 3.012 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnc(Cl)c1 ZINC000765039177 627237978 /nfs/dbraw/zinc/23/79/78/627237978.db2.gz QLMAVGUXIPXEDL-UBHSHLNASA-N 2 1 279.815 3.012 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnc(Cl)c1 ZINC000765039177 627237979 /nfs/dbraw/zinc/23/79/79/627237979.db2.gz QLMAVGUXIPXEDL-UBHSHLNASA-N 2 1 279.815 3.012 20 0 CGADMP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000765238169 627243475 /nfs/dbraw/zinc/24/34/75/627243475.db2.gz GUTIQALLSYOSPX-HOTGVXAUSA-N 2 1 284.407 3.244 20 0 CGADMP COc1ccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c2c1 ZINC000765467188 627251356 /nfs/dbraw/zinc/25/13/56/627251356.db2.gz DDIZOVQEGGLZAI-UONOGXRCSA-N 2 1 297.402 3.282 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cncc3ccccc32)CC[N@@H+]1C ZINC000769484049 627558976 /nfs/dbraw/zinc/55/89/76/627558976.db2.gz BTUAIKZIGLYKRH-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cncc3ccccc32)CC[N@H+]1C ZINC000769484049 627558979 /nfs/dbraw/zinc/55/89/79/627558979.db2.gz BTUAIKZIGLYKRH-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cncc3ccccc32)CC[NH+]1C ZINC000769484049 627558982 /nfs/dbraw/zinc/55/89/82/627558982.db2.gz BTUAIKZIGLYKRH-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cncc3ccccc32)CC[NH+]1C ZINC000769484049 627558984 /nfs/dbraw/zinc/55/89/84/627558984.db2.gz BTUAIKZIGLYKRH-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(CF)cc1 ZINC000777710319 628294497 /nfs/dbraw/zinc/29/44/97/628294497.db2.gz YKTNJLYMAJECBM-UHFFFAOYSA-N 2 1 275.371 3.183 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(CF)cc1 ZINC000777710319 628294500 /nfs/dbraw/zinc/29/45/00/628294500.db2.gz YKTNJLYMAJECBM-UHFFFAOYSA-N 2 1 275.371 3.183 20 0 CGADMP C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000782181741 628620389 /nfs/dbraw/zinc/62/03/89/628620389.db2.gz KPAMAAQJDDRHSI-WBVHZDCISA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000783229367 628690893 /nfs/dbraw/zinc/69/08/93/628690893.db2.gz FPQOMMHGCPZURC-FMKPAKJESA-N 2 1 278.465 3.348 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000783229367 628690896 /nfs/dbraw/zinc/69/08/96/628690896.db2.gz FPQOMMHGCPZURC-FMKPAKJESA-N 2 1 278.465 3.348 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]2C)C1 ZINC000783238963 628692645 /nfs/dbraw/zinc/69/26/45/628692645.db2.gz ICIXIJDUPBIJNB-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]2C)C1 ZINC000783238963 628692649 /nfs/dbraw/zinc/69/26/49/628692649.db2.gz ICIXIJDUPBIJNB-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000788480531 629058318 /nfs/dbraw/zinc/05/83/18/629058318.db2.gz LBKHVXIASBRCJV-KRWDZBQOSA-N 2 1 262.441 3.151 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000862238197 629328553 /nfs/dbraw/zinc/32/85/53/629328553.db2.gz PNSZQZMADYHEQZ-UHFFFAOYSA-N 2 1 273.424 3.332 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000862238197 629328554 /nfs/dbraw/zinc/32/85/54/629328554.db2.gz PNSZQZMADYHEQZ-UHFFFAOYSA-N 2 1 273.424 3.332 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000862353280 629347113 /nfs/dbraw/zinc/34/71/13/629347113.db2.gz ZAUNYWAIGGDKSW-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000795832228 629719393 /nfs/dbraw/zinc/71/93/93/629719393.db2.gz SVZUSAQPQGIQQB-NLYLCNNHSA-N 2 1 264.457 3.274 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1Cl ZINC000796666233 629812753 /nfs/dbraw/zinc/81/27/53/629812753.db2.gz OGBWRHXXAKBANE-GFCCVEGCSA-N 2 1 284.831 3.259 20 0 CGADMP C[NH+]1CCC2(CCCN(c3cc[nH+]cc3Cl)C2)CC1 ZINC000798405389 630053567 /nfs/dbraw/zinc/05/35/67/630053567.db2.gz WQMOYXVQKUCGBC-UHFFFAOYSA-N 2 1 279.815 3.047 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)c2)CC[N@H+]1C ZINC000865475336 630140082 /nfs/dbraw/zinc/14/00/82/630140082.db2.gz LBAHPLQVMCCNBK-HOCLYGCPSA-N 2 1 290.451 3.436 20 0 CGADMP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]cc1C(F)(F)F ZINC000865629824 630235080 /nfs/dbraw/zinc/23/50/80/630235080.db2.gz RNRUYIGODVXXKC-UHFFFAOYSA-N 2 1 298.312 3.132 20 0 CGADMP C[N@H+]1CCCC12CCN(c1cc[nH+]cc1C(F)(F)F)CC2 ZINC000865656127 630259664 /nfs/dbraw/zinc/25/96/64/630259664.db2.gz KTUDQQFFYVHJCE-UHFFFAOYSA-N 2 1 299.340 3.165 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000809735680 630791258 /nfs/dbraw/zinc/79/12/58/630791258.db2.gz OPSZIDXIJUIFFP-UONOGXRCSA-N 2 1 272.502 3.227 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)o1 ZINC000842766892 635465483 /nfs/dbraw/zinc/46/54/83/635465483.db2.gz WDIXWUAKQHESKC-MOPGFXCFSA-N 2 1 298.430 3.331 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)o1 ZINC000842766892 635465488 /nfs/dbraw/zinc/46/54/88/635465488.db2.gz WDIXWUAKQHESKC-MOPGFXCFSA-N 2 1 298.430 3.331 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1C ZINC000817957800 632253920 /nfs/dbraw/zinc/25/39/20/632253920.db2.gz FAAAEFGAAJFPBC-GJZGRUSLSA-N 2 1 278.440 3.336 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817965538 632260441 /nfs/dbraw/zinc/26/04/41/632260441.db2.gz WUEGYUTZJAKXAW-QMMMGPOBSA-N 2 1 288.222 3.108 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCCC[C@@H]1CCCO)C1CCCCC1 ZINC000820808346 632679393 /nfs/dbraw/zinc/67/93/93/632679393.db2.gz DLATZRUZNHJNGN-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCCC[C@@H]1CCCO)C1CCCCC1 ZINC000820808346 632679409 /nfs/dbraw/zinc/67/94/09/632679409.db2.gz DLATZRUZNHJNGN-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC000822664549 633001685 /nfs/dbraw/zinc/00/16/85/633001685.db2.gz TXJCNBOYUBVRHI-AGIUHOORSA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC000822664549 633001689 /nfs/dbraw/zinc/00/16/89/633001689.db2.gz TXJCNBOYUBVRHI-AGIUHOORSA-N 2 1 293.282 3.375 20 0 CGADMP CC(C)(C)OC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000866451398 633140579 /nfs/dbraw/zinc/14/05/79/633140579.db2.gz SPVOYPSKQXSVAD-UHFFFAOYSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000823850453 633158816 /nfs/dbraw/zinc/15/88/16/633158816.db2.gz DIMNLCJDPXMUNX-CYGHRXIMSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)nc1Cl ZINC000866667249 633229555 /nfs/dbraw/zinc/22/95/55/633229555.db2.gz GUALGPQHVPKZFG-CYBMUJFWSA-N 2 1 293.842 3.007 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000866707410 633235498 /nfs/dbraw/zinc/23/54/98/633235498.db2.gz OAHKMBSQCOHMNX-AAEUAGOBSA-N 2 1 293.282 3.267 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCF)CC1 ZINC000880256017 635958239 /nfs/dbraw/zinc/95/82/39/635958239.db2.gz CVGSVEJWAAWMEW-UHFFFAOYSA-N 2 1 256.409 3.077 20 0 CGADMP C[NH+](C)Cc1cnc(C[N@H+](CCC2CC2)CC2CC2)s1 ZINC000827722478 633512605 /nfs/dbraw/zinc/51/26/05/633512605.db2.gz JSHCWPNGFJUVBF-UHFFFAOYSA-N 2 1 293.480 3.217 20 0 CGADMP C[NH+](C)Cc1cnc(C[N@@H+](CCC2CC2)CC2CC2)s1 ZINC000827722478 633512606 /nfs/dbraw/zinc/51/26/06/633512606.db2.gz JSHCWPNGFJUVBF-UHFFFAOYSA-N 2 1 293.480 3.217 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)C[C@]2(C)CC2(Cl)Cl)C[C@@H]1C ZINC000827973117 633542941 /nfs/dbraw/zinc/54/29/41/633542941.db2.gz GMIXQJUCIKGGBT-AVGNSLFASA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]2(C)CC2(Cl)Cl)C[C@@H]1C ZINC000827973117 633542950 /nfs/dbraw/zinc/54/29/50/633542950.db2.gz GMIXQJUCIKGGBT-AVGNSLFASA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]2(C)CC2(Cl)Cl)C[C@@H]1C ZINC000827973117 633542954 /nfs/dbraw/zinc/54/29/54/633542954.db2.gz GMIXQJUCIKGGBT-AVGNSLFASA-N 2 1 293.282 3.375 20 0 CGADMP Cc1cc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000123281205 633641167 /nfs/dbraw/zinc/64/11/67/633641167.db2.gz YSKUGGKAGMIDEV-MRXNPFEDSA-N 2 1 278.440 3.354 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)o1 ZINC000123281205 633641170 /nfs/dbraw/zinc/64/11/70/633641170.db2.gz YSKUGGKAGMIDEV-MRXNPFEDSA-N 2 1 278.440 3.354 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000123281205 633641174 /nfs/dbraw/zinc/64/11/74/633641174.db2.gz YSKUGGKAGMIDEV-MRXNPFEDSA-N 2 1 278.440 3.354 20 0 CGADMP C[C@@H]1Cc2c([nH+]cn2CCCCCCC[NH3+])C[C@@H]1C ZINC000830409379 633860830 /nfs/dbraw/zinc/86/08/30/633860830.db2.gz NSIFXXJNAJMPSW-UONOGXRCSA-N 2 1 263.429 3.163 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)CC ZINC000872019151 633940209 /nfs/dbraw/zinc/94/02/09/633940209.db2.gz TUOKIMDZHQVOIH-OAHLLOKOSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000872022104 633942098 /nfs/dbraw/zinc/94/20/98/633942098.db2.gz TWJKEPNHDQCKIN-VXGBXAGGSA-N 2 1 278.362 3.181 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000872035364 633954575 /nfs/dbraw/zinc/95/45/75/633954575.db2.gz MFHULHLRHFLCRD-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872040653 633961516 /nfs/dbraw/zinc/96/15/16/633961516.db2.gz ZOJFXTRKGGWTNW-HZPDHXFCSA-N 2 1 293.455 3.155 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C1CC1 ZINC000872079475 634002331 /nfs/dbraw/zinc/00/23/31/634002331.db2.gz YTTAWRXEQCWWES-ZBFHGGJFSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000872086220 634011552 /nfs/dbraw/zinc/01/15/52/634011552.db2.gz SUWIUWDKXCKFQI-RYRKJORJSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000872086220 634011558 /nfs/dbraw/zinc/01/15/58/634011558.db2.gz SUWIUWDKXCKFQI-RYRKJORJSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2C=CCC2)CC1(C)C ZINC000872105979 634027239 /nfs/dbraw/zinc/02/72/39/634027239.db2.gz GKAYFJZTSXCICM-CABCVRRESA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)CC[N@H+]1C ZINC000846211340 636159569 /nfs/dbraw/zinc/15/95/69/636159569.db2.gz BFKBFJZXNNKWPI-IJLUTSLNSA-N 2 1 279.255 3.033 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ncc(-c2cccs2)o1 ZINC000872155890 634066375 /nfs/dbraw/zinc/06/63/75/634066375.db2.gz ZYANAUGBTDYZOP-UHFFFAOYSA-N 2 1 293.436 3.354 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C/C=C/Cl)C1)C1CCCC1 ZINC000872156453 634067736 /nfs/dbraw/zinc/06/77/36/634067736.db2.gz JXUKUDJOGHGFCF-LQTBYQGRSA-N 2 1 270.848 3.359 20 0 CGADMP CC(C)OCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157625 634068056 /nfs/dbraw/zinc/06/80/56/634068056.db2.gz OGTATETUXWPJIX-DOTOQJQBSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2O1 ZINC000834876280 634262596 /nfs/dbraw/zinc/26/25/96/634262596.db2.gz DGYCXVOIHGJNQH-CRTWOITFSA-N 2 1 286.419 3.114 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2O1 ZINC000834876280 634262604 /nfs/dbraw/zinc/26/26/04/634262604.db2.gz DGYCXVOIHGJNQH-CRTWOITFSA-N 2 1 286.419 3.114 20 0 CGADMP CC[C@@H]([NH2+]CC(CC)(CC)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873247710 634299629 /nfs/dbraw/zinc/29/96/29/634299629.db2.gz SGMHGAFMFZHVAA-NEPJUHHUSA-N 2 1 280.378 3.475 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3ncccc23)C1 ZINC000877531751 635074956 /nfs/dbraw/zinc/07/49/56/635074956.db2.gz QYVLDYYFFRDFKR-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000877531751 635074962 /nfs/dbraw/zinc/07/49/62/635074962.db2.gz QYVLDYYFFRDFKR-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000877531751 635074973 /nfs/dbraw/zinc/07/49/73/635074973.db2.gz QYVLDYYFFRDFKR-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000841010169 635105991 /nfs/dbraw/zinc/10/59/91/635105991.db2.gz BYCXTUSLRNWAEW-IGCXYCKISA-N 2 1 294.389 3.490 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000841078077 635118719 /nfs/dbraw/zinc/11/87/19/635118719.db2.gz FKSQHUHYAKTGFT-DTWKUNHWSA-N 2 1 278.343 3.124 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000841105457 635122300 /nfs/dbraw/zinc/12/23/00/635122300.db2.gz OKOBMSWOLUCEJW-GOEBONIOSA-N 2 1 250.430 3.031 20 0 CGADMP FC(F)C1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000877732218 635166747 /nfs/dbraw/zinc/16/67/47/635166747.db2.gz AYLGYZAEGVDPEK-SSDMNJCBSA-N 2 1 286.410 3.417 20 0 CGADMP FC(F)C1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000877732218 635166753 /nfs/dbraw/zinc/16/67/53/635166753.db2.gz AYLGYZAEGVDPEK-SSDMNJCBSA-N 2 1 286.410 3.417 20 0 CGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000877794059 635204693 /nfs/dbraw/zinc/20/46/93/635204693.db2.gz FBBKHLJUKHDLDP-INIZCTEOSA-N 2 1 278.440 3.020 20 0 CGADMP CC1(C)CCC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)O1 ZINC000877971830 635297967 /nfs/dbraw/zinc/29/79/67/635297967.db2.gz POGXWCKUGPUPOS-KRWDZBQOSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000878126656 635368006 /nfs/dbraw/zinc/36/80/06/635368006.db2.gz WPSVKPNJDPVOFL-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC[C@@H]1CCCC1(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000878126656 635368014 /nfs/dbraw/zinc/36/80/14/635368014.db2.gz WPSVKPNJDPVOFL-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC[C@@H]1CCCC1(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126656 635368023 /nfs/dbraw/zinc/36/80/23/635368023.db2.gz WPSVKPNJDPVOFL-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])[C@H]1CCc2ccccc2C1 ZINC000842472650 635377569 /nfs/dbraw/zinc/37/75/69/635377569.db2.gz HEVCVBBXNZCDPJ-SFHVURJKSA-N 2 1 274.452 3.385 20 0 CGADMP C[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)C(C)(C)C ZINC000878340527 635466269 /nfs/dbraw/zinc/46/62/69/635466269.db2.gz VTOUMFIQCRJPTQ-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)C(C)(C)C ZINC000878340527 635466273 /nfs/dbraw/zinc/46/62/73/635466273.db2.gz VTOUMFIQCRJPTQ-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C/c1ccc(F)cc1F ZINC000843054202 635551427 /nfs/dbraw/zinc/55/14/27/635551427.db2.gz SBLYDELWAFZSQL-QASUNYIKSA-N 2 1 292.373 3.322 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C/c1ccc(F)cc1F ZINC000843054202 635551430 /nfs/dbraw/zinc/55/14/30/635551430.db2.gz SBLYDELWAFZSQL-QASUNYIKSA-N 2 1 292.373 3.322 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)F)cc1 ZINC000843053599 635551482 /nfs/dbraw/zinc/55/14/82/635551482.db2.gz DUUCTRKKXRBHIM-AGUYFDCRSA-N 2 1 296.361 3.132 20 0 CGADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1Cl ZINC000843055534 635553899 /nfs/dbraw/zinc/55/38/99/635553899.db2.gz GIAANWKYQGXJLA-UHFFFAOYSA-N 2 1 266.816 3.350 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000844222052 635832973 /nfs/dbraw/zinc/83/29/73/635832973.db2.gz RNPYXQNHPPMTEE-MRXNPFEDSA-N 2 1 261.413 3.128 20 0 CGADMP CC(C)C[N@H+](Cc1cccc(F)n1)CC1CC[NH+](C)CC1 ZINC000879703221 635838627 /nfs/dbraw/zinc/83/86/27/635838627.db2.gz GDYPMBUDATVGHL-UHFFFAOYSA-N 2 1 293.430 3.021 20 0 CGADMP CC1(C)CC[C@@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)O1 ZINC000879950956 635885623 /nfs/dbraw/zinc/88/56/23/635885623.db2.gz FLLANZPCJRPZPG-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP FC[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](CF)C2)C1 ZINC000880236148 635947418 /nfs/dbraw/zinc/94/74/18/635947418.db2.gz WISFDBNPFRWLEL-IYBDPMFKSA-N 2 1 288.426 3.130 20 0 CGADMP FC[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](CF)C2)C1 ZINC000880236148 635947419 /nfs/dbraw/zinc/94/74/19/635947419.db2.gz WISFDBNPFRWLEL-IYBDPMFKSA-N 2 1 288.426 3.130 20 0 CGADMP FC[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](CF)C2)C1 ZINC000880236148 635947422 /nfs/dbraw/zinc/94/74/22/635947422.db2.gz WISFDBNPFRWLEL-IYBDPMFKSA-N 2 1 288.426 3.130 20 0 CGADMP Cc1ccccc1[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](C)CO1 ZINC000846219622 636162397 /nfs/dbraw/zinc/16/23/97/636162397.db2.gz UENCNYKXXQBQKF-WMZOPIPTSA-N 2 1 290.451 3.276 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883017644 636507896 /nfs/dbraw/zinc/50/78/96/636507896.db2.gz ULFPTTXDRYSDIK-ZSHCYNCHSA-N 2 1 261.413 3.140 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000883140323 636553595 /nfs/dbraw/zinc/55/35/95/636553595.db2.gz QDBNVVGQAJZOLA-FICVDOATSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883246722 636614946 /nfs/dbraw/zinc/61/49/46/636614946.db2.gz PEYDLCLTCBPUTM-YQVWRLOYSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2ccccc21 ZINC000131596397 636692632 /nfs/dbraw/zinc/69/26/32/636692632.db2.gz AISCJTVHJQCOIY-ZIAGYGMSSA-N 2 1 254.377 3.009 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC000883418627 636748468 /nfs/dbraw/zinc/74/84/68/636748468.db2.gz NSKHGVIMANOTSB-OLZOCXBDSA-N 2 1 262.388 3.117 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000883439558 636756135 /nfs/dbraw/zinc/75/61/35/636756135.db2.gz VEJKECQVGRRRJS-KBXCAEBGSA-N 2 1 296.499 3.277 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+]1CCCC1 ZINC000885920933 637311745 /nfs/dbraw/zinc/31/17/45/637311745.db2.gz LQHDRHKBCJIJLP-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP Cc1coc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000885915837 637312000 /nfs/dbraw/zinc/31/20/00/637312000.db2.gz HAICIUNEZVPSIN-UHFFFAOYSA-N 2 1 284.403 3.474 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Cl)cn1 ZINC000885923374 637313207 /nfs/dbraw/zinc/31/32/07/637313207.db2.gz YRNWFXKPTNXZRT-CQSZACIVSA-N 2 1 295.858 3.479 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000886142769 637433555 /nfs/dbraw/zinc/43/35/55/637433555.db2.gz KPRQJLDYSCMFFB-GIZXNFQBSA-N 2 1 276.399 3.160 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886307596 637492256 /nfs/dbraw/zinc/49/22/56/637492256.db2.gz WVBJQNJGLZKPBH-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOC1CCCCCC1)C2 ZINC000852109166 637598800 /nfs/dbraw/zinc/59/88/00/637598800.db2.gz WYRCIPOCJKNXTM-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOC1CCCCCC1)C2 ZINC000852109166 637598808 /nfs/dbraw/zinc/59/88/08/637598808.db2.gz WYRCIPOCJKNXTM-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOC1CCCCCC1)C2 ZINC000852109166 637598813 /nfs/dbraw/zinc/59/88/13/637598813.db2.gz WYRCIPOCJKNXTM-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOC1CCCCCC1)C2 ZINC000852109166 637598823 /nfs/dbraw/zinc/59/88/23/637598823.db2.gz WYRCIPOCJKNXTM-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3ccnc(C)c3)CC2)[nH+]c1C ZINC000886659758 637637523 /nfs/dbraw/zinc/63/75/23/637637523.db2.gz UUKKJROZIUSOSH-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000886719812 637670997 /nfs/dbraw/zinc/67/09/97/637670997.db2.gz ILSZAEONLNVGFB-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000852744170 637702823 /nfs/dbraw/zinc/70/28/23/637702823.db2.gz UOKDTZUGVGSBCC-SOLBZPMBSA-N 2 1 272.436 3.241 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000852743853 637703888 /nfs/dbraw/zinc/70/38/88/637703888.db2.gz MCQIEWGRVKCUQO-GFCCVEGCSA-N 2 1 284.856 3.103 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000852747985 637704805 /nfs/dbraw/zinc/70/48/05/637704805.db2.gz FIEPTMSHVIWUQF-SFHVURJKSA-N 2 1 272.436 3.386 20 0 CGADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852761655 637708212 /nfs/dbraw/zinc/70/82/12/637708212.db2.gz YYTIPMHRRPJNBJ-GOSISDBHSA-N 2 1 289.467 3.106 20 0 CGADMP C[N@@H+](CCCF)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000887142379 637758862 /nfs/dbraw/zinc/75/88/62/637758862.db2.gz HTRGIPAVVJZFGP-UHFFFAOYSA-N 2 1 278.415 3.464 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000300129752 637820931 /nfs/dbraw/zinc/82/09/31/637820931.db2.gz QKYUFILVMBRECG-AEFFLSMTSA-N 2 1 292.467 3.162 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000300667786 637849228 /nfs/dbraw/zinc/84/92/28/637849228.db2.gz IJJKSTDQHREEQW-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000300667786 637849234 /nfs/dbraw/zinc/84/92/34/637849234.db2.gz IJJKSTDQHREEQW-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)CC(C)C ZINC000924633133 638380891 /nfs/dbraw/zinc/38/08/91/638380891.db2.gz UZWJNTQVUVIAFJ-TWMKSMIVSA-N 2 1 284.488 3.004 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000924712602 638393184 /nfs/dbraw/zinc/39/31/84/638393184.db2.gz ITQWZZWZQRALQI-HUUCEWRRSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]C[C@]3([NH+](C)C)CCC[C@@H](C)C3)C2)CO1 ZINC000924737381 638397375 /nfs/dbraw/zinc/39/73/75/638397375.db2.gz GTQXHQRAWZABBX-IUGQGLEPSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000924961045 638432336 /nfs/dbraw/zinc/43/23/36/638432336.db2.gz SMKXSTFCTNHQHZ-IUODEOHRSA-N 2 1 279.428 3.062 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000924961045 638432339 /nfs/dbraw/zinc/43/23/39/638432339.db2.gz SMKXSTFCTNHQHZ-IUODEOHRSA-N 2 1 279.428 3.062 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925481730 638508956 /nfs/dbraw/zinc/50/89/56/638508956.db2.gz KCHVRPDYVCJOGU-DLBZAZTESA-N 2 1 270.420 3.320 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000925495294 638511854 /nfs/dbraw/zinc/51/18/54/638511854.db2.gz NUYONXPMWMJVAK-KUHUBIRLSA-N 2 1 293.414 3.389 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925514890 638516700 /nfs/dbraw/zinc/51/67/00/638516700.db2.gz GUIRFRAZVCBRIB-APHBMKBZSA-N 2 1 274.408 3.006 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925553368 638527344 /nfs/dbraw/zinc/52/73/44/638527344.db2.gz PJAVLAQPDCSBGR-ZACQAIPSSA-N 3 1 295.515 3.137 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccccc1 ZINC000925659764 638561155 /nfs/dbraw/zinc/56/11/55/638561155.db2.gz GOOLOIUCNHLKFM-IUODEOHRSA-N 2 1 282.378 3.490 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCC(C)(F)F)c1ccccc1 ZINC000925677795 638567490 /nfs/dbraw/zinc/56/74/90/638567490.db2.gz AXDDYQKSUATAIR-DGCLKSJQSA-N 2 1 256.340 3.100 20 0 CGADMP C1=C[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000925733818 638588327 /nfs/dbraw/zinc/58/83/27/638588327.db2.gz YDSKDUBUWPQBHH-UAGQMJEPSA-N 2 1 256.393 3.036 20 0 CGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000925824737 638622138 /nfs/dbraw/zinc/62/21/38/638622138.db2.gz VBOIMSZHKYNWHG-QLOLRVAOSA-N 2 1 293.499 3.033 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1OC ZINC000925828672 638624717 /nfs/dbraw/zinc/62/47/17/638624717.db2.gz YXHUGNHMQBIUMJ-LBEMJPCMSA-N 2 1 292.398 3.158 20 0 CGADMP CC[C@H]([NH2+]CCc1cnc2ccccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000925835474 638627376 /nfs/dbraw/zinc/62/73/76/638627376.db2.gz QBNXEDWJRLRXTF-HKUYNNGSSA-N 2 1 297.446 3.288 20 0 CGADMP C[C@@H]1Cc2cc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)ccc2O1 ZINC000925834015 638627396 /nfs/dbraw/zinc/62/73/96/638627396.db2.gz UMOJLTDQTTUUMG-NXOUGTEYSA-N 2 1 294.398 3.244 20 0 CGADMP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858115794 638635007 /nfs/dbraw/zinc/63/50/07/638635007.db2.gz LZHHQJAMAKRKHG-JKSUJKDBSA-N 2 1 290.451 3.225 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000858490757 638741049 /nfs/dbraw/zinc/74/10/49/638741049.db2.gz NLSKIMVMUYEXNG-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000926752606 638806956 /nfs/dbraw/zinc/80/69/56/638806956.db2.gz BPWDFIMJCPQYHJ-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000926752606 638806959 /nfs/dbraw/zinc/80/69/59/638806959.db2.gz BPWDFIMJCPQYHJ-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(F)nc2)CC1 ZINC000929505688 638929587 /nfs/dbraw/zinc/92/95/87/638929587.db2.gz JBCDTXBXQJKZSG-AWEZNQCLSA-N 2 1 293.430 3.334 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC000929792264 638952461 /nfs/dbraw/zinc/95/24/61/638952461.db2.gz YQBLVPHTFMEMHX-INIZCTEOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000929792264 638952463 /nfs/dbraw/zinc/95/24/63/638952463.db2.gz YQBLVPHTFMEMHX-INIZCTEOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000929792264 638952465 /nfs/dbraw/zinc/95/24/65/638952465.db2.gz YQBLVPHTFMEMHX-INIZCTEOSA-N 2 1 264.457 3.230 20 0 CGADMP CC(F)(F)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930061987 638971758 /nfs/dbraw/zinc/97/17/58/638971758.db2.gz WPIAQVPHUWEOHG-UKRRQHHQSA-N 2 1 286.410 3.371 20 0 CGADMP CCc1ccc(C[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931351287 639139343 /nfs/dbraw/zinc/13/93/43/639139343.db2.gz KEMNNNSDGVFGBO-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511397 639162967 /nfs/dbraw/zinc/16/29/67/639162967.db2.gz LRJVSFAMKNOXAJ-AWEZNQCLSA-N 2 1 281.403 3.043 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511397 639162968 /nfs/dbraw/zinc/16/29/68/639162968.db2.gz LRJVSFAMKNOXAJ-AWEZNQCLSA-N 2 1 281.403 3.043 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933129177 639421491 /nfs/dbraw/zinc/42/14/91/639421491.db2.gz JUBBXJAWAYCMAI-OAHLLOKOSA-N 2 1 295.496 3.048 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933129177 639421495 /nfs/dbraw/zinc/42/14/95/639421495.db2.gz JUBBXJAWAYCMAI-OAHLLOKOSA-N 2 1 295.496 3.048 20 0 CGADMP C[C@@H](CC[NH2+]C[C@H]1CCC=CO1)[N@@H+](C)Cc1ccccc1 ZINC000194497266 640535808 /nfs/dbraw/zinc/53/58/08/640535808.db2.gz BNDHXASSAFWUSY-FUHWJXTLSA-N 2 1 288.435 3.179 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091540825 640715182 /nfs/dbraw/zinc/71/51/82/640715182.db2.gz XFQIFMILWJBZEM-UPJWGTAASA-N 2 1 266.816 3.460 20 0 CGADMP C[C@@H](CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415136417 640859298 /nfs/dbraw/zinc/85/92/98/640859298.db2.gz HIYZKRDVTKSADU-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415136417 640859300 /nfs/dbraw/zinc/85/93/00/640859300.db2.gz HIYZKRDVTKSADU-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP Cc1cc2ccccc2c(N(C)CC2CC[NH+](C)CC2)[nH+]1 ZINC000302059404 721935488 /nfs/dbraw/zinc/93/54/88/721935488.db2.gz QSRGAXOWSJXTFW-UHFFFAOYSA-N 2 1 283.419 3.321 20 0 CGADMP Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)nc(C(C)(C)C)n1 ZINC001156385364 805681085 /nfs/dbraw/zinc/68/10/85/805681085.db2.gz DTFHMKVEIMUAJX-AWEZNQCLSA-N 2 1 290.455 3.226 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC001253104629 806167704 /nfs/dbraw/zinc/16/77/04/806167704.db2.gz UEHCIPLHHHBVSS-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC001253104630 806168451 /nfs/dbraw/zinc/16/84/51/806168451.db2.gz UEHCIPLHHHBVSS-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+](Cc1ccccc1NC1=CC[NH2+]C1)C1CCCCC1 ZINC001159791919 806175149 /nfs/dbraw/zinc/17/51/49/806175149.db2.gz YGMHACBACSOJFP-UHFFFAOYSA-N 2 1 285.435 3.350 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001253403519 806215799 /nfs/dbraw/zinc/21/57/99/806215799.db2.gz FQPVQWLVFDRAEA-LSDHHAIUSA-N 2 1 298.858 3.130 20 0 CGADMP Cc1cnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1C ZINC001161187023 806355736 /nfs/dbraw/zinc/35/57/36/806355736.db2.gz LHOGJBMELDBZBI-INIZCTEOSA-N 2 1 273.424 3.375 20 0 CGADMP CCC[C@@H](CCc1ccccc1)n1c[nH+]cc1CC[NH3+] ZINC001254482218 806413176 /nfs/dbraw/zinc/41/31/76/806413176.db2.gz HHOYKPQSAXMFKC-INIZCTEOSA-N 2 1 271.408 3.358 20 0 CGADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC001254499114 806421614 /nfs/dbraw/zinc/42/16/14/806421614.db2.gz ANNSAQJTKITCDV-QFQXCOSMSA-N 2 1 289.467 3.254 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504802 806424128 /nfs/dbraw/zinc/42/41/28/806424128.db2.gz WKOVXMJJNLHVFW-HOCLYGCPSA-N 2 1 278.827 3.401 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC001254509332 806431212 /nfs/dbraw/zinc/43/12/12/806431212.db2.gz YZBSFCRXOBPYIX-RUXDESIVSA-N 2 1 292.389 3.429 20 0 CGADMP Cc1ccc(CC2(C[NH2+][C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254510698 806431343 /nfs/dbraw/zinc/43/13/43/806431343.db2.gz PKISIBCKKUURMN-GOSISDBHSA-N 2 1 286.463 3.392 20 0 CGADMP CCCC[C@@H](CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257420913 807147468 /nfs/dbraw/zinc/14/74/68/807147468.db2.gz KMWPLPYACQEBOI-CQSZACIVSA-N 2 1 281.444 3.085 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C2CCOCC2)CC1 ZINC001255034699 806531457 /nfs/dbraw/zinc/53/14/57/806531457.db2.gz LQTWYWJIZAMZJN-QAQDUYKDSA-N 2 1 294.483 3.318 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C34CC(C3)C4)CC2)cc1 ZINC001255384045 806630023 /nfs/dbraw/zinc/63/00/23/806630023.db2.gz SBJVXNHYHRLYDS-LXPRWKDFSA-N 2 1 270.420 3.183 20 0 CGADMP [NH3+]Cc1cccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255385321 806630812 /nfs/dbraw/zinc/63/08/12/806630812.db2.gz GKBNUCHFNHXRJY-QGZVFWFLSA-N 2 1 283.419 3.174 20 0 CGADMP F[C@H]1CC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399402 806633754 /nfs/dbraw/zinc/63/37/54/806633754.db2.gz RHRXZNMZFFBMQW-DLBZAZTESA-N 2 1 276.399 3.085 20 0 CGADMP F[C@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399402 806633758 /nfs/dbraw/zinc/63/37/58/806633758.db2.gz RHRXZNMZFFBMQW-DLBZAZTESA-N 2 1 276.399 3.085 20 0 CGADMP F[C@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399402 806633765 /nfs/dbraw/zinc/63/37/65/806633765.db2.gz RHRXZNMZFFBMQW-DLBZAZTESA-N 2 1 276.399 3.085 20 0 CGADMP F[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399402 806633772 /nfs/dbraw/zinc/63/37/72/806633772.db2.gz RHRXZNMZFFBMQW-DLBZAZTESA-N 2 1 276.399 3.085 20 0 CGADMP C[N@H+]1CCC[C@@H](n2cc(C(C)(C)C[NH3+])c3ccccc32)C1 ZINC001255475589 806647746 /nfs/dbraw/zinc/64/77/46/806647746.db2.gz RPBXLZLCCNXUSM-CQSZACIVSA-N 2 1 285.435 3.144 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCC(C(F)(F)F)CC3)C2)C1 ZINC001255520413 806661060 /nfs/dbraw/zinc/66/10/60/806661060.db2.gz FNQZSICRTAPYGI-JXQTWKCFSA-N 2 1 290.373 3.135 20 0 CGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H](C)COC)CC1 ZINC001255576019 806676844 /nfs/dbraw/zinc/67/68/44/806676844.db2.gz QFKGMNIAGNKBNI-MRXNPFEDSA-N 2 1 290.451 3.008 20 0 CGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H](C)COC)CC1 ZINC001255576019 806676848 /nfs/dbraw/zinc/67/68/48/806676848.db2.gz QFKGMNIAGNKBNI-MRXNPFEDSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H](CC(F)(F)F)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255642537 806689900 /nfs/dbraw/zinc/68/99/00/806689900.db2.gz CTKHMHXKCQTKDZ-DRZSPHRISA-N 2 1 278.362 3.309 20 0 CGADMP CC(C)[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000094021226 798968137 /nfs/dbraw/zinc/96/81/37/798968137.db2.gz NURJOPYJLWEJGX-HNNXBMFYSA-N 2 1 260.425 3.458 20 0 CGADMP COc1cccc2c1C[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255682941 806704406 /nfs/dbraw/zinc/70/44/06/806704406.db2.gz NDJWXCGDPKMANU-XYPWUTKMSA-N 2 1 286.419 3.026 20 0 CGADMP COc1cccc2c1C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255682941 806704413 /nfs/dbraw/zinc/70/44/13/806704413.db2.gz NDJWXCGDPKMANU-XYPWUTKMSA-N 2 1 286.419 3.026 20 0 CGADMP COc1cccc2c1C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255682941 806704419 /nfs/dbraw/zinc/70/44/19/806704419.db2.gz NDJWXCGDPKMANU-XYPWUTKMSA-N 2 1 286.419 3.026 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255690344 806706833 /nfs/dbraw/zinc/70/68/33/806706833.db2.gz UPFJAJQVQBPJNT-NWDGAFQWSA-N 2 1 266.351 3.167 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000151537902 799055276 /nfs/dbraw/zinc/05/52/76/799055276.db2.gz FILGFUUZSLKYIO-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[N@H+](C(C)(C)C[NH3+])C(C)(C)c1ccnc(Cl)c1 ZINC001163191834 806716680 /nfs/dbraw/zinc/71/66/80/806716680.db2.gz BZXUOLRTIIYZND-UHFFFAOYSA-N 2 1 283.847 3.418 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CSc1ccc(F)cc1 ZINC001255729072 806723097 /nfs/dbraw/zinc/72/30/97/806723097.db2.gz FEQILPFGMBNYOY-CYBMUJFWSA-N 2 1 284.444 3.367 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001255733404 806725454 /nfs/dbraw/zinc/72/54/54/806725454.db2.gz RPRWHXMFPOTQIK-KBPBESRZSA-N 2 1 296.455 3.238 20 0 CGADMP Cc1ccc(SC[C@H](C)n2c[nH+]cc2CC[NH3+])cc1 ZINC001255749834 806733993 /nfs/dbraw/zinc/73/39/93/806733993.db2.gz JRMHWTZEKZBSGD-ZDUSSCGKSA-N 2 1 275.421 3.046 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379647130 799352437 /nfs/dbraw/zinc/35/24/37/799352437.db2.gz JWGLBKIFMUBBOB-HLLBOEOZSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000380823258 799367416 /nfs/dbraw/zinc/36/74/16/799367416.db2.gz QIYFFRGUXCTRPK-INIZCTEOSA-N 2 1 276.424 3.035 20 0 CGADMP CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000387305209 799445919 /nfs/dbraw/zinc/44/59/19/799445919.db2.gz ZFKCKMROPWOYBL-TZMCWYRMSA-N 2 1 270.367 3.270 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000389043840 799459579 /nfs/dbraw/zinc/45/95/79/799459579.db2.gz OBSQEZJYBZPPKK-ZDUSSCGKSA-N 2 1 268.351 3.185 20 0 CGADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)co1 ZINC000390733477 799474561 /nfs/dbraw/zinc/47/45/61/799474561.db2.gz ZNMIXJWBJKGCOM-QGZVFWFLSA-N 2 1 284.403 3.281 20 0 CGADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000390733477 799474565 /nfs/dbraw/zinc/47/45/65/799474565.db2.gz ZNMIXJWBJKGCOM-QGZVFWFLSA-N 2 1 284.403 3.281 20 0 CGADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000394534921 799498150 /nfs/dbraw/zinc/49/81/50/799498150.db2.gz NEFHBHQPFJSAMO-QRNKSROTSA-N 2 1 252.446 3.405 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)Cc2ccc(C)cc2)CC1 ZINC001255795891 806757429 /nfs/dbraw/zinc/75/74/29/806757429.db2.gz LYOGVXHGOPXCOM-INIZCTEOSA-N 2 1 274.452 3.342 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001255855233 806770689 /nfs/dbraw/zinc/77/06/89/806770689.db2.gz UHIHBQSERVVYCN-OAHLLOKOSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000695353525 799829091 /nfs/dbraw/zinc/82/90/91/799829091.db2.gz ITTYASHKXSJNBZ-GGOUWCIISA-N 2 1 264.457 3.274 20 0 CGADMP CCC1(CC)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699262629 799858840 /nfs/dbraw/zinc/85/88/40/799858840.db2.gz FTLQGUFLPKVROT-GOOCMWNKSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263150 799859018 /nfs/dbraw/zinc/85/90/18/799859018.db2.gz HXEOYSOYFHDYDZ-SDKNFDLMSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])o1 ZINC000700798600 799879540 /nfs/dbraw/zinc/87/95/40/799879540.db2.gz SYXSFXXSQWBLMX-ZIAGYGMSSA-N 2 1 279.428 3.137 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1cnc2ccccn21 ZINC001255941256 806789741 /nfs/dbraw/zinc/78/97/41/806789741.db2.gz MPZNKZLLYQQMLE-LSDHHAIUSA-N 2 1 288.439 3.105 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC(C)(C)C1 ZINC000708311314 799985765 /nfs/dbraw/zinc/98/57/65/799985765.db2.gz OSIJRILALFKWTE-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC001255954188 806796509 /nfs/dbraw/zinc/79/65/09/806796509.db2.gz ASYVBIFUSVRRGP-CZUORRHYSA-N 2 1 276.424 3.090 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCCCC[NH3+])s1 ZINC000710750869 800038862 /nfs/dbraw/zinc/03/88/62/800038862.db2.gz OUTOJOBUKMWGBY-GFCCVEGCSA-N 2 1 269.458 3.272 20 0 CGADMP CC1(C)CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710905929 800041709 /nfs/dbraw/zinc/04/17/09/800041709.db2.gz HUGYCDLYKCCROT-UHFFFAOYSA-N 2 1 264.438 3.016 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001255962546 806799565 /nfs/dbraw/zinc/79/95/65/806799565.db2.gz WSFPSKYXYGWFJY-QGZVFWFLSA-N 3 1 297.531 3.159 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001255973315 806804563 /nfs/dbraw/zinc/80/45/63/806804563.db2.gz XXROJWQKBLIRTQ-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001255973315 806804571 /nfs/dbraw/zinc/80/45/71/806804571.db2.gz XXROJWQKBLIRTQ-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Cl ZINC000715571798 800139938 /nfs/dbraw/zinc/13/99/38/800139938.db2.gz PZJUHKLKEVSFGI-ZIAGYGMSSA-N 2 1 296.842 3.311 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000716269917 800166088 /nfs/dbraw/zinc/16/60/88/800166088.db2.gz PWALTYQYFIAFQQ-UHFFFAOYSA-N 2 1 287.234 3.220 20 0 CGADMP C1=C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716719426 800178903 /nfs/dbraw/zinc/17/89/03/800178903.db2.gz SOWCOQNXKYZDFU-OKYOBFRVSA-N 2 1 282.431 3.348 20 0 CGADMP Clc1ccc([C@H]2C[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256073683 806812213 /nfs/dbraw/zinc/81/22/13/806812213.db2.gz AAMASCQOPWJKEM-SJORKVTESA-N 2 1 290.838 3.412 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000718754287 800221609 /nfs/dbraw/zinc/22/16/09/800221609.db2.gz QVCUBMIABLEUEK-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C1CCCC1 ZINC000721617092 800297131 /nfs/dbraw/zinc/29/71/31/800297131.db2.gz GRKDYELTFCJVPE-GOEBONIOSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C1CCCC1 ZINC000721617092 800297138 /nfs/dbraw/zinc/29/71/38/800297138.db2.gz GRKDYELTFCJVPE-GOEBONIOSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@H](CC)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721640357 800299349 /nfs/dbraw/zinc/29/93/49/800299349.db2.gz KEHXXHJOVWCBNI-IRXDYDNUSA-N 2 1 260.425 3.341 20 0 CGADMP CCCC[C@H](CC)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721640357 800299354 /nfs/dbraw/zinc/29/93/54/800299354.db2.gz KEHXXHJOVWCBNI-IRXDYDNUSA-N 2 1 260.425 3.341 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C[NH2+]1 ZINC000723608001 800330069 /nfs/dbraw/zinc/33/00/69/800330069.db2.gz MWMMUAPZHDQYAB-CWVYHPPDSA-N 2 1 250.430 3.075 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000723696873 800338022 /nfs/dbraw/zinc/33/80/22/800338022.db2.gz ZVLONJWSFNHBJQ-CQSZACIVSA-N 2 1 254.377 3.011 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723903016 800344559 /nfs/dbraw/zinc/34/45/59/800344559.db2.gz SLLQGOYFUZNKME-MBNYWOFBSA-N 2 1 266.816 3.318 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256143794 806832913 /nfs/dbraw/zinc/83/29/13/806832913.db2.gz HGMXPHOAYBQEFU-INIZCTEOSA-N 2 1 292.467 3.338 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256143794 806832921 /nfs/dbraw/zinc/83/29/21/806832921.db2.gz HGMXPHOAYBQEFU-INIZCTEOSA-N 2 1 292.467 3.338 20 0 CGADMP C[NH+]1CCC([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC001256194681 806846811 /nfs/dbraw/zinc/84/68/11/806846811.db2.gz LSBCFNWATUNNRX-JGAFYBCUSA-N 2 1 276.468 3.419 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](c2cccc(F)c2)C2CCC2)CC1 ZINC001256197942 806848115 /nfs/dbraw/zinc/84/81/15/806848115.db2.gz VUCPCPDXXXVSEP-KRWDZBQOSA-N 2 1 276.399 3.351 20 0 CGADMP C[NH+]1CCC([NH2+]CC2(Cc3ccccc3F)CCC2)CC1 ZINC001256198868 806848208 /nfs/dbraw/zinc/84/82/08/806848208.db2.gz BLLDHWUVPQNKJF-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1ccccc1 ZINC000925713808 800632383 /nfs/dbraw/zinc/63/23/83/800632383.db2.gz UKXYYLBXOPXNPJ-SPWCGHHHSA-N 2 1 284.806 3.369 20 0 CGADMP CN1CCC([N@@H+](Cc2ccccc2)C[Si](C)(C)C)CC1 ZINC001256207387 806850958 /nfs/dbraw/zinc/85/09/58/806850958.db2.gz HANWHGRZTHTUHH-UHFFFAOYSA-N 2 1 290.527 3.460 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522189 806908919 /nfs/dbraw/zinc/90/89/19/806908919.db2.gz IKKMFYXLNXLYJG-MUIFIZLQSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522189 806908921 /nfs/dbraw/zinc/90/89/21/806908921.db2.gz IKKMFYXLNXLYJG-MUIFIZLQSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@H]([NH3+])c1nccn1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521120 806909549 /nfs/dbraw/zinc/90/95/49/806909549.db2.gz ZUNCAQTVRVPOEB-ZOBUZTSGSA-N 2 1 298.434 3.128 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256521046 806909853 /nfs/dbraw/zinc/90/98/53/806909853.db2.gz XWLRUZSQMOEIKN-CRYBEJKASA-N 2 1 276.399 3.130 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256521046 806909855 /nfs/dbraw/zinc/90/98/55/806909855.db2.gz XWLRUZSQMOEIKN-CRYBEJKASA-N 2 1 276.399 3.130 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543648 806912345 /nfs/dbraw/zinc/91/23/45/806912345.db2.gz UOOUNXIWQIHAHG-WMLDXEAASA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543648 806912350 /nfs/dbraw/zinc/91/23/50/806912350.db2.gz UOOUNXIWQIHAHG-WMLDXEAASA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256543648 806912357 /nfs/dbraw/zinc/91/23/57/806912357.db2.gz UOOUNXIWQIHAHG-WMLDXEAASA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256543648 806912359 /nfs/dbraw/zinc/91/23/59/806912359.db2.gz UOOUNXIWQIHAHG-WMLDXEAASA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cncc(Cl)c1 ZINC001256621220 806928809 /nfs/dbraw/zinc/92/88/09/806928809.db2.gz MQYCZZXKRYUQQT-SLYWTYHBSA-N 2 1 279.815 3.011 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncc(Cl)c1 ZINC001256621220 806928812 /nfs/dbraw/zinc/92/88/12/806928812.db2.gz MQYCZZXKRYUQQT-SLYWTYHBSA-N 2 1 279.815 3.011 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001168933011 807540042 /nfs/dbraw/zinc/54/00/42/807540042.db2.gz NQBTZIZIBWJCIH-UHFFFAOYSA-N 2 1 252.446 3.397 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001168933011 807540045 /nfs/dbraw/zinc/54/00/45/807540045.db2.gz NQBTZIZIBWJCIH-UHFFFAOYSA-N 2 1 252.446 3.397 20 0 CGADMP CC[NH+](CC)C1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC001116755357 802406251 /nfs/dbraw/zinc/40/62/51/802406251.db2.gz FPPYSWUYRBTQRF-UHFFFAOYSA-N 2 1 284.488 3.388 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001120262882 802737082 /nfs/dbraw/zinc/73/70/82/802737082.db2.gz FYHKODGKQIXPEN-BYCMXARLSA-N 2 1 264.800 3.214 20 0 CGADMP Cc1cc(F)cc(NC2CCC(C)([NH+](C)C)CC2)[nH+]1 ZINC001120868777 802788978 /nfs/dbraw/zinc/78/89/78/802788978.db2.gz WXALGSRTGDXQJU-UHFFFAOYSA-N 2 1 265.376 3.204 20 0 CGADMP CC(C)(C)C(=[NH2+])N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895821 807000378 /nfs/dbraw/zinc/00/03/78/807000378.db2.gz YKQIVEDWOBZJKZ-GFCCVEGCSA-N 2 1 251.418 3.006 20 0 CGADMP OC1(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC001256899481 807002310 /nfs/dbraw/zinc/00/23/10/807002310.db2.gz UBTAXPZBFUCITE-INIZCTEOSA-N 2 1 294.483 3.068 20 0 CGADMP OC1(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CCCCC1 ZINC001256899481 807002316 /nfs/dbraw/zinc/00/23/16/807002316.db2.gz UBTAXPZBFUCITE-INIZCTEOSA-N 2 1 294.483 3.068 20 0 CGADMP C(CC1CCC1)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256903119 807004136 /nfs/dbraw/zinc/00/41/36/807004136.db2.gz XKIMKEDTZQCMJH-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C(CC1CCC1)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256903119 807004140 /nfs/dbraw/zinc/00/41/40/807004140.db2.gz XKIMKEDTZQCMJH-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)(C)OCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904173 807004980 /nfs/dbraw/zinc/00/49/80/807004980.db2.gz DICMQNAYQZRHTK-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)(C)OCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256904173 807004987 /nfs/dbraw/zinc/00/49/87/807004987.db2.gz DICMQNAYQZRHTK-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CCCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208184885 813736339 /nfs/dbraw/zinc/73/63/39/813736339.db2.gz RAIOBMCDBYTBGQ-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CC[C@@H](c2ccc(-c3cccc(OCC[NH3+])c3)cc2)C1 ZINC001244326470 803305824 /nfs/dbraw/zinc/30/58/24/803305824.db2.gz NSPPYZSGKUFBNM-GOSISDBHSA-N 2 1 296.414 3.110 20 0 CGADMP CC[N@@H+]1C[C@H]2CN(Cc3scc(C)c3Cl)C[C@H]2C1 ZINC001137293773 803711572 /nfs/dbraw/zinc/71/15/72/803711572.db2.gz ABIGPLUJVVXBHJ-TXEJJXNPSA-N 2 1 284.856 3.093 20 0 CGADMP C[N@H+](Cc1ccc(O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001138053742 803841001 /nfs/dbraw/zinc/84/10/01/803841001.db2.gz VWMWFQMFWCCUTC-UHFFFAOYSA-N 2 1 284.403 3.071 20 0 CGADMP C[N@@H+](Cc1ccc(O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001138053742 803841010 /nfs/dbraw/zinc/84/10/10/803841010.db2.gz VWMWFQMFWCCUTC-UHFFFAOYSA-N 2 1 284.403 3.071 20 0 CGADMP CCCO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138547924 803964910 /nfs/dbraw/zinc/96/49/10/803964910.db2.gz WUUAWZIAUFNVGQ-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP CCCO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138547924 803964916 /nfs/dbraw/zinc/96/49/16/803964916.db2.gz WUUAWZIAUFNVGQ-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccnc(Cl)c2)CC1 ZINC001138820553 804047535 /nfs/dbraw/zinc/04/75/35/804047535.db2.gz NKZGMTPPVLDJRF-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246089116 804122271 /nfs/dbraw/zinc/12/22/71/804122271.db2.gz BTPMWTFOMPINRJ-JSGCOSHPSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246098004 804130353 /nfs/dbraw/zinc/13/03/53/804130353.db2.gz QVDXAFHNDZEPTJ-CZUORRHYSA-N 2 1 296.480 3.412 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2cc(Cl)ccc2Cl)C[NH2+]1 ZINC001246099396 804131787 /nfs/dbraw/zinc/13/17/87/804131787.db2.gz XAXSHYIMFCNHBO-GXFFZTMASA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246106070 804138226 /nfs/dbraw/zinc/13/82/26/804138226.db2.gz CVTISNKZIMIWQJ-BBRMVZONSA-N 2 1 298.833 3.342 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC[NH2+]1 ZINC001246114995 804146155 /nfs/dbraw/zinc/14/61/55/804146155.db2.gz PJMBKGWKSQVKCA-HLLBOEOZSA-N 2 1 288.435 3.411 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)ccc21 ZINC001139189440 804153660 /nfs/dbraw/zinc/15/36/60/804153660.db2.gz BVRZZEQSQFNSFH-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246137159 804160418 /nfs/dbraw/zinc/16/04/18/804160418.db2.gz ZAXDCOPMKIPPRR-SJORKVTESA-N 2 1 272.436 3.130 20 0 CGADMP CCCC[C@H]1C[C@H](NCC[N@@H+](CC)CCCC)CC[NH2+]1 ZINC001246160957 804177132 /nfs/dbraw/zinc/17/71/32/804177132.db2.gz IAJQKBQBALRRSH-DLBZAZTESA-N 2 1 283.504 3.009 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246172484 804187381 /nfs/dbraw/zinc/18/73/81/804187381.db2.gz HJOZLHSFQFGOQY-MSOLQXFVSA-N 2 1 292.442 3.469 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246178527 804192243 /nfs/dbraw/zinc/19/22/43/804192243.db2.gz OXEYFNAGVSERCR-QZTJIDSGSA-N 2 1 292.442 3.325 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246189618 804200029 /nfs/dbraw/zinc/20/00/29/804200029.db2.gz OKZPFRIAQDQTTA-NHYWBVRUSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246236305 804227965 /nfs/dbraw/zinc/22/79/65/804227965.db2.gz VKRYSQIAGWCXJM-XOYOTBSWSA-N 2 1 272.436 3.443 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246264165 804246658 /nfs/dbraw/zinc/24/66/58/804246658.db2.gz FJPKNVHWORSVBH-DJIMGWMZSA-N 2 1 262.441 3.361 20 0 CGADMP CC[C@H]1CC[C@H](C2CCC(N[C@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299196 804266049 /nfs/dbraw/zinc/26/60/49/804266049.db2.gz GMFJXEKZHSTLAY-QOCJCZBQSA-N 3 1 295.515 3.375 20 0 CGADMP CC/C=C/[NH2+][C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246301121 804268336 /nfs/dbraw/zinc/26/83/36/804268336.db2.gz VMQFMBHERHVBLL-GBYWQYLPSA-N 2 1 262.372 3.441 20 0 CGADMP COc1ccc2cccc(CCN[C@H]3CC[C@@H](C)[NH2+]C3)c2c1 ZINC001246316029 804276833 /nfs/dbraw/zinc/27/68/33/804276833.db2.gz OHESOTTYGCDIKW-PBHICJAKSA-N 2 1 298.430 3.121 20 0 CGADMP COc1ccc2cccc(CC[NH2+][C@H]3CC[C@@H](C)[NH2+]C3)c2c1 ZINC001246316029 804276840 /nfs/dbraw/zinc/27/68/40/804276840.db2.gz OHESOTTYGCDIKW-PBHICJAKSA-N 2 1 298.430 3.121 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246318016 804277571 /nfs/dbraw/zinc/27/75/71/804277571.db2.gz OSAOCWRBLSKBNO-VXGBXAGGSA-N 2 1 287.234 3.178 20 0 CGADMP CC[C@H](C[NH3+])[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246319341 804279659 /nfs/dbraw/zinc/27/96/59/804279659.db2.gz VLMJDAQMQSLALY-KLHKWILBSA-N 2 1 272.436 3.140 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC001246326514 804282053 /nfs/dbraw/zinc/28/20/53/804282053.db2.gz PTOWNUSSKUUTCJ-URGYJCLVSA-N 2 1 252.446 3.321 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246329181 804284865 /nfs/dbraw/zinc/28/48/65/804284865.db2.gz MCBIDWOZIHZXEV-HFAKWTLXSA-N 2 1 284.806 3.140 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246329447 804284972 /nfs/dbraw/zinc/28/49/72/804284972.db2.gz QHNKPEKKVDFOKX-HYVNUMGLSA-N 2 1 260.425 3.128 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]C1(c2ccccc2Cl)CCC1 ZINC001246359910 804304248 /nfs/dbraw/zinc/30/42/48/804304248.db2.gz CPZPFEXOLNWNDJ-LBPRGKRZSA-N 2 1 266.816 3.307 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CCC2)CC[NH2+]1 ZINC001246361212 804306348 /nfs/dbraw/zinc/30/63/48/804306348.db2.gz KDGOMLOWMHXPIP-CHWSQXEVSA-N 2 1 278.827 3.449 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CCC2)CC[NH2+]1 ZINC001246361220 804306487 /nfs/dbraw/zinc/30/64/87/804306487.db2.gz KDGOMLOWMHXPIP-QWHCGFSZSA-N 2 1 278.827 3.449 20 0 CGADMP Fc1cccc(CC2([NH2+][C@H]3CCCC[NH2+]C3)CCC2)c1 ZINC001246386035 804314894 /nfs/dbraw/zinc/31/48/94/804314894.db2.gz CMHBTMIYEHAVPH-INIZCTEOSA-N 2 1 276.399 3.023 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC001246385134 804314970 /nfs/dbraw/zinc/31/49/70/804314970.db2.gz RQOPUYUSISZICH-OCCSQVGLSA-N 2 1 278.827 3.003 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1(C[NH3+])CC1 ZINC001246445401 804334396 /nfs/dbraw/zinc/33/43/96/804334396.db2.gz HFGDQMXXNKWXKB-VIFPVBQESA-N 2 1 273.207 3.005 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]CC[NH2+]C(C)C ZINC001246451100 804336667 /nfs/dbraw/zinc/33/66/67/804336667.db2.gz FKRZKGCBXQJSQH-KRWDZBQOSA-N 2 1 262.441 3.376 20 0 CGADMP CC[C@@]1([NH2+][C@H](C)Cc2c(F)cccc2Cl)CC[NH2+]C1 ZINC001246464530 804344957 /nfs/dbraw/zinc/34/49/57/804344957.db2.gz RWSGZPWPBKVVMJ-IAQYHMDHSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246472376 804349814 /nfs/dbraw/zinc/34/98/14/804349814.db2.gz XHYMCVZZZFXXCB-XHDPSFHLSA-N 2 1 284.806 3.142 20 0 CGADMP CC[N@@H+](Cc1ccccc1-n1ccnc1C)C(C)C ZINC001140023044 804353993 /nfs/dbraw/zinc/35/39/93/804353993.db2.gz ITPNWCCCHRDHBI-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP CC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C(C)C ZINC001140023044 804353997 /nfs/dbraw/zinc/35/39/97/804353997.db2.gz ITPNWCCCHRDHBI-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP CC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C(C)C ZINC001140023044 804354006 /nfs/dbraw/zinc/35/40/06/804354006.db2.gz ITPNWCCCHRDHBI-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246482974 804355646 /nfs/dbraw/zinc/35/56/46/804355646.db2.gz QWWVONSNOZCCSH-OLZOCXBDSA-N 2 1 262.388 3.036 20 0 CGADMP CCCC[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140022479 804356943 /nfs/dbraw/zinc/35/69/43/804356943.db2.gz HEVNLELYVAAFNZ-UHFFFAOYSA-N 2 1 257.381 3.413 20 0 CGADMP CCCC[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140022479 804356950 /nfs/dbraw/zinc/35/69/50/804356950.db2.gz HEVNLELYVAAFNZ-UHFFFAOYSA-N 2 1 257.381 3.413 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246495614 804361421 /nfs/dbraw/zinc/36/14/21/804361421.db2.gz KSVJSUOOGIPRCK-NJAFHUGGSA-N 2 1 274.452 3.376 20 0 CGADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246500934 804362205 /nfs/dbraw/zinc/36/22/05/804362205.db2.gz QOPNBQQZJSOBTB-MLGOLLRUSA-N 2 1 294.389 3.462 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246498972 804362896 /nfs/dbraw/zinc/36/28/96/804362896.db2.gz VSCQLCDSVVSMCL-BRWVUGGUSA-N 3 1 295.515 3.137 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246507561 804364978 /nfs/dbraw/zinc/36/49/78/804364978.db2.gz YRUWTWHJDJAWFQ-IKGGRYGDSA-N 2 1 260.425 3.286 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246518937 804371113 /nfs/dbraw/zinc/37/11/13/804371113.db2.gz JBAJYAMQGRDEIA-DLBZAZTESA-N 2 1 260.425 3.429 20 0 CGADMP c1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246518985 804371178 /nfs/dbraw/zinc/37/11/78/804371178.db2.gz KLQCTUWDMSIYLM-SFHVURJKSA-N 2 1 284.447 3.500 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246519334 804373318 /nfs/dbraw/zinc/37/33/18/804373318.db2.gz MGMSCDSJWCFDHU-HOTGVXAUSA-N 2 1 260.425 3.285 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246519336 804373626 /nfs/dbraw/zinc/37/36/26/804373626.db2.gz MGMSCDSJWCFDHU-HZPDHXFCSA-N 2 1 260.425 3.285 20 0 CGADMP CCCC[N@@H+](C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246520933 804374886 /nfs/dbraw/zinc/37/48/86/804374886.db2.gz LZZGOEFEWKWPGB-IRXDYDNUSA-N 2 1 260.425 3.082 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001246539236 804388435 /nfs/dbraw/zinc/38/84/35/804388435.db2.gz FWAAYGOKGQALIE-DOTOQJQBSA-N 2 1 260.425 3.129 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544899 804393083 /nfs/dbraw/zinc/39/30/83/804393083.db2.gz HVUZOCCBWLEUKJ-ROUUACIJSA-N 2 1 274.452 3.457 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246545024 804394120 /nfs/dbraw/zinc/39/41/20/804394120.db2.gz GJAGETOHJSUBDI-QGZVFWFLSA-N 2 1 270.420 3.028 20 0 CGADMP c1ccc([C@@H]2CCCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246546617 804394810 /nfs/dbraw/zinc/39/48/10/804394810.db2.gz AUAOCOJMKFUYBN-WFFDWFOESA-N 2 1 270.420 3.497 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246546340 804395552 /nfs/dbraw/zinc/39/55/52/804395552.db2.gz JSECJRDCDRZGSW-KRWDZBQOSA-N 2 1 284.447 3.275 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246546263 804396445 /nfs/dbraw/zinc/39/64/45/804396445.db2.gz JLGCBADISLDFQA-LLLHUVSDSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](C2CCc3ccccc3CC2)CC1 ZINC001246549183 804397677 /nfs/dbraw/zinc/39/76/77/804397677.db2.gz HOVGKEBULMVXTF-GOSISDBHSA-N 2 1 272.436 3.137 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)CSc2ccc(F)cc2)C1 ZINC001246550621 804400421 /nfs/dbraw/zinc/40/04/21/804400421.db2.gz OBXKHSNCKMNBMD-KBPBESRZSA-N 2 1 296.455 3.238 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC(C)(C)C1 ZINC001246551788 804402313 /nfs/dbraw/zinc/40/23/13/804402313.db2.gz REKLFQCQFRDOOY-IJEWVQPXSA-N 2 1 270.436 3.354 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246554073 804404128 /nfs/dbraw/zinc/40/41/28/804404128.db2.gz UWONEEFRMUESTA-YJBOKZPZSA-N 2 1 274.452 3.383 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246554546 804404788 /nfs/dbraw/zinc/40/47/88/804404788.db2.gz WHTADWAPEMEXQE-WBVHZDCISA-N 2 1 260.425 3.129 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246560360 804409465 /nfs/dbraw/zinc/40/94/65/804409465.db2.gz CXHWZQIWGISOPQ-SNPRPXQTSA-N 2 1 292.854 3.257 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246562896 804411692 /nfs/dbraw/zinc/41/16/92/804411692.db2.gz ICNBALKXHZMYBC-UMVBOHGHSA-N 2 1 280.843 3.330 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246564005 804413265 /nfs/dbraw/zinc/41/32/65/804413265.db2.gz YMBMFOKPSVNRDB-IJEWVQPXSA-N 2 1 278.415 3.064 20 0 CGADMP F[C@@H]1CCCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246570128 804417796 /nfs/dbraw/zinc/41/77/96/804417796.db2.gz ZMVVDKABWCIRLT-CQSZACIVSA-N 2 1 268.420 3.123 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246573992 804420400 /nfs/dbraw/zinc/42/04/00/804420400.db2.gz HHGHMZLYPWCYCY-WMLDXEAASA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@]1(F)CCCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246574089 804420469 /nfs/dbraw/zinc/42/04/69/804420469.db2.gz JUGZXKKQUZAEEK-LSDHHAIUSA-N 2 1 268.420 3.123 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246575894 804422487 /nfs/dbraw/zinc/42/24/87/804422487.db2.gz XYUNOJMVTZRJFA-LAVFITLUSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246575894 804422488 /nfs/dbraw/zinc/42/24/88/804422488.db2.gz XYUNOJMVTZRJFA-LAVFITLUSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)C[C@@H](C)C1 ZINC001246578793 804424033 /nfs/dbraw/zinc/42/40/33/804424033.db2.gz CEVDKRSIEQPDSC-FXUDXRNXSA-N 2 1 252.446 3.262 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246579583 804424153 /nfs/dbraw/zinc/42/41/53/804424153.db2.gz CGCNIZZDTFKIGD-ZFWWWQNUSA-N 2 1 292.854 3.258 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246582330 804425435 /nfs/dbraw/zinc/42/54/35/804425435.db2.gz GOCGMBCPWAFYHA-BYNSBNAKSA-N 2 1 258.425 3.353 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246582330 804425439 /nfs/dbraw/zinc/42/54/39/804425439.db2.gz GOCGMBCPWAFYHA-BYNSBNAKSA-N 2 1 258.425 3.353 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246595009 804435300 /nfs/dbraw/zinc/43/53/00/804435300.db2.gz XHENZTMNYQJUTD-KBAYOESNSA-N 2 1 274.452 3.457 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001246594016 804435392 /nfs/dbraw/zinc/43/53/92/804435392.db2.gz UVZFVXKJCRFKIN-VKJFTORMSA-N 2 1 274.452 3.239 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246593344 804435754 /nfs/dbraw/zinc/43/57/54/804435754.db2.gz MECBADNIJMQYQF-ULQDDVLXSA-N 2 1 284.488 3.433 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C[C@@H](C)C1 ZINC001246607760 804442650 /nfs/dbraw/zinc/44/26/50/804442650.db2.gz FGYPYAUXEFFDGI-ZSHCYNCHSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246607774 804442683 /nfs/dbraw/zinc/44/26/83/804442683.db2.gz FJNYHQHEFTVTDA-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246607774 804442687 /nfs/dbraw/zinc/44/26/87/804442687.db2.gz FJNYHQHEFTVTDA-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246608913 804443259 /nfs/dbraw/zinc/44/32/59/804443259.db2.gz VZCDDDWBPKRHPU-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001246607527 804443666 /nfs/dbraw/zinc/44/36/66/804443666.db2.gz TUZJTDAMOVOVQD-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001246607527 804443670 /nfs/dbraw/zinc/44/36/70/804443670.db2.gz TUZJTDAMOVOVQD-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246611605 804444299 /nfs/dbraw/zinc/44/42/99/804444299.db2.gz UYOBYVSEOFPKCT-RHSMWYFYSA-N 2 1 292.854 3.347 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614189 804448222 /nfs/dbraw/zinc/44/82/22/804448222.db2.gz MQYKPPSZGJQKSP-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246621063 804453631 /nfs/dbraw/zinc/45/36/31/804453631.db2.gz CYFCPJQZFFMDSC-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632256 804462977 /nfs/dbraw/zinc/46/29/77/804462977.db2.gz WHYVSIBUUPTICL-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246634081 804463886 /nfs/dbraw/zinc/46/38/86/804463886.db2.gz ZUQQRERVONEQBR-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP CC1CCC([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)CC1 ZINC001246633554 804464443 /nfs/dbraw/zinc/46/44/43/804464443.db2.gz LHSCBYXNMSVXAN-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCC23CC[NH2+]CC3)CC1 ZINC001246643171 804469937 /nfs/dbraw/zinc/46/99/37/804469937.db2.gz RBODNIUCTDRCNJ-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246642998 804470261 /nfs/dbraw/zinc/47/02/61/804470261.db2.gz LDOLQKUHSMNAOS-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246649438 804476492 /nfs/dbraw/zinc/47/64/92/804476492.db2.gz PJWCOONLPDCPLG-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246649438 804476495 /nfs/dbraw/zinc/47/64/95/804476495.db2.gz PJWCOONLPDCPLG-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCCC13CC[NH2+]CC3)CC2 ZINC001246649449 804477010 /nfs/dbraw/zinc/47/70/10/804477010.db2.gz ZJMUYUSHFIODOR-LJQANCHMSA-N 2 1 298.474 3.460 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)C2)cc1 ZINC001246653840 804480657 /nfs/dbraw/zinc/48/06/57/804480657.db2.gz AGIJDSKXOGONRD-MKXGPGLRSA-N 2 1 284.447 3.397 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246657845 804482263 /nfs/dbraw/zinc/48/22/63/804482263.db2.gz JSFPHARSQYFWBL-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246657845 804482264 /nfs/dbraw/zinc/48/22/64/804482264.db2.gz JSFPHARSQYFWBL-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246657744 804482487 /nfs/dbraw/zinc/48/24/87/804482487.db2.gz IFNVPOZDNOQIOA-NBDWZHNGSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246657744 804482492 /nfs/dbraw/zinc/48/24/92/804482492.db2.gz IFNVPOZDNOQIOA-NBDWZHNGSA-N 2 1 298.474 3.472 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246659910 804483611 /nfs/dbraw/zinc/48/36/11/804483611.db2.gz ZIANTXWOLAHXIY-RDBSUJKOSA-N 2 1 292.389 3.429 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246661220 804484264 /nfs/dbraw/zinc/48/42/64/804484264.db2.gz KOSLTCLIQVUQFZ-BTABJRDXSA-N 2 1 299.245 3.203 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246662751 804485557 /nfs/dbraw/zinc/48/55/57/804485557.db2.gz UQXLGTABLLFGAM-CAOSSQGBSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246662751 804485560 /nfs/dbraw/zinc/48/55/60/804485560.db2.gz UQXLGTABLLFGAM-CAOSSQGBSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246668199 804488685 /nfs/dbraw/zinc/48/86/85/804488685.db2.gz MIKDJHAHRIFYKY-CAOSSQGBSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)C1 ZINC001246673922 804489407 /nfs/dbraw/zinc/48/94/07/804489407.db2.gz QPCFUFCIZHITIB-BTHPGYMESA-N 2 1 298.474 3.428 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677586 804491929 /nfs/dbraw/zinc/49/19/29/804491929.db2.gz JTGRWCXWDIAVIX-RCCFBDPRSA-N 2 1 296.499 3.149 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246682008 804494499 /nfs/dbraw/zinc/49/44/99/804494499.db2.gz AWPPVGJHQKGCEF-CGTJXYLNSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246680135 804494621 /nfs/dbraw/zinc/49/46/21/804494621.db2.gz ILVRVNQNBKMRQK-SFHVURJKSA-N 2 1 274.452 3.329 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246685740 804495878 /nfs/dbraw/zinc/49/58/78/804495878.db2.gz BDWBTAIPRRMSPZ-JYJNAYRXSA-N 2 1 270.436 3.369 20 0 CGADMP CCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246683779 804496217 /nfs/dbraw/zinc/49/62/17/804496217.db2.gz SZWPVHWFQUCTRD-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)CC(C)(C)C1 ZINC001246688709 804497557 /nfs/dbraw/zinc/49/75/57/804497557.db2.gz HFTXLFOKSWPOJJ-AESZEHBQSA-N 2 1 282.447 3.225 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692203 804499550 /nfs/dbraw/zinc/49/95/50/804499550.db2.gz MZOFIMHQMBGUFA-XHSDSOJGSA-N 2 1 270.436 3.225 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246695959 804499818 /nfs/dbraw/zinc/49/98/18/804499818.db2.gz UHPJGHBPLZAJOG-RDJZCZTQSA-N 2 1 290.451 3.294 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246778622 804507002 /nfs/dbraw/zinc/50/70/02/804507002.db2.gz WHKHFWKNKQHADQ-YRXWBPOGSA-N 2 1 284.447 3.224 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cccs2)CC[NH2+]1 ZINC001246790499 804512742 /nfs/dbraw/zinc/51/27/42/804512742.db2.gz WWAMKYWBYJTWHK-JHJVBQTASA-N 2 1 250.411 3.026 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789003 804512800 /nfs/dbraw/zinc/51/28/00/804512800.db2.gz AMRMYLWCVPQHEY-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3coc4ccccc34)C[C@H]2C1 ZINC001140785124 804513824 /nfs/dbraw/zinc/51/38/24/804513824.db2.gz OITBDOUPXAPJAW-HUUCEWRRSA-N 2 1 284.403 3.206 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+]([C@@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246790444 804513927 /nfs/dbraw/zinc/51/39/27/804513927.db2.gz FZKGWNFQCNDKPK-QZTJIDSGSA-N 2 1 284.447 3.226 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246788931 804514279 /nfs/dbraw/zinc/51/42/79/804514279.db2.gz ABWDPYRRSHTXJN-XEVCZEQESA-N 2 1 298.474 3.473 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246795071 804517039 /nfs/dbraw/zinc/51/70/39/804517039.db2.gz HLQYIIMFVUTMGZ-QWRGUYRKSA-N 2 1 287.234 3.205 20 0 CGADMP Fc1ccccc1[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246793847 804517547 /nfs/dbraw/zinc/51/75/47/804517547.db2.gz FLKNWLYJLHTDON-CKQIIDDLSA-N 2 1 274.383 3.246 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246798433 804519720 /nfs/dbraw/zinc/51/97/20/804519720.db2.gz UGRKVJHNXNIPMN-KRWDZBQOSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@@H+](C1CCCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246800201 804521762 /nfs/dbraw/zinc/52/17/62/804521762.db2.gz WJVKEFPTXDPAPS-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246803395 804522881 /nfs/dbraw/zinc/52/28/81/804522881.db2.gz JTKCXIBDMBQOCE-UONOGXRCSA-N 2 1 276.399 3.146 20 0 CGADMP C[N@@H+](CCC(=O)c1ccccc1)Cc1c[nH]c2ccncc12 ZINC001140807356 804523038 /nfs/dbraw/zinc/52/30/38/804523038.db2.gz WDEIJHLRJPPQND-UHFFFAOYSA-N 2 1 293.370 3.268 20 0 CGADMP C[N@H+](CCC(=O)c1ccccc1)Cc1cnc2cc[nH]cc1-2 ZINC001140807356 804523043 /nfs/dbraw/zinc/52/30/43/804523043.db2.gz WDEIJHLRJPPQND-UHFFFAOYSA-N 2 1 293.370 3.268 20 0 CGADMP C[N@H+](CCC(=O)c1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807356 804523057 /nfs/dbraw/zinc/52/30/57/804523057.db2.gz WDEIJHLRJPPQND-UHFFFAOYSA-N 2 1 293.370 3.268 20 0 CGADMP C[N@@H+](CCC(=O)c1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807356 804523062 /nfs/dbraw/zinc/52/30/62/804523062.db2.gz WDEIJHLRJPPQND-UHFFFAOYSA-N 2 1 293.370 3.268 20 0 CGADMP CCC[N@H+](CCc1ccccn1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804955 804523382 /nfs/dbraw/zinc/52/33/82/804523382.db2.gz LRCZBEYYTGENLD-UHFFFAOYSA-N 2 1 294.402 3.413 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804955 804523384 /nfs/dbraw/zinc/52/33/84/804523384.db2.gz LRCZBEYYTGENLD-UHFFFAOYSA-N 2 1 294.402 3.413 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001246809771 804527558 /nfs/dbraw/zinc/52/75/58/804527558.db2.gz SNZLLJPYQXULCX-DGXTUMSLSA-N 2 1 252.446 3.401 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001246812298 804528741 /nfs/dbraw/zinc/52/87/41/804528741.db2.gz YNSNFTCHUOTVCV-QWHCGFSZSA-N 2 1 266.816 3.127 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)(C)OC)CC[NH2+]1 ZINC001246812384 804528787 /nfs/dbraw/zinc/52/87/87/804528787.db2.gz ZPBOSSPJAZQOFT-OAGGEKHMSA-N 2 1 282.472 3.187 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001246813848 804530771 /nfs/dbraw/zinc/53/07/71/804530771.db2.gz OSPKQEFBTUTBQE-HNNXBMFYSA-N 2 1 278.516 3.364 20 0 CGADMP CC[C@H]1CC([N@@H+]2CC3CCC2CC3)C[C@H](CC)[NH2+]1 ZINC001246819463 804534239 /nfs/dbraw/zinc/53/42/39/804534239.db2.gz GLCSGMKWHIGPDL-GQKFXUNGSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H]1CC([N@H+]2CC3CCC2CC3)C[C@H](CC)[NH2+]1 ZINC001246819463 804534242 /nfs/dbraw/zinc/53/42/42/804534242.db2.gz GLCSGMKWHIGPDL-GQKFXUNGSA-N 2 1 250.430 3.170 20 0 CGADMP Fc1ccc(CC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246827942 804539023 /nfs/dbraw/zinc/53/90/23/804539023.db2.gz OWOQOHBJLYKINV-SFHVURJKSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246831268 804541170 /nfs/dbraw/zinc/54/11/70/804541170.db2.gz CSUGIOPXYOIMGJ-YVSFHVDLSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246831268 804541175 /nfs/dbraw/zinc/54/11/75/804541175.db2.gz CSUGIOPXYOIMGJ-YVSFHVDLSA-N 2 1 264.457 3.418 20 0 CGADMP COCCC[N@@H+](C1CC[NH2+]CC1)C1CCC(C)(C)CC1 ZINC001246835696 804544903 /nfs/dbraw/zinc/54/49/03/804544903.db2.gz LVYHFPDJWXUAGF-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246835498 804544977 /nfs/dbraw/zinc/54/49/77/804544977.db2.gz TXMHMNOHEANJLC-GOEBONIOSA-N 2 1 276.399 3.146 20 0 CGADMP CCCC1CCC([N@@H+](CCOC)C2CC[NH2+]CC2)CC1 ZINC001246838689 804546854 /nfs/dbraw/zinc/54/68/54/804546854.db2.gz ZZGUGLZDIQDMGA-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP C1CC[C@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[C@H]2C1 ZINC001246839310 804548478 /nfs/dbraw/zinc/54/84/78/804548478.db2.gz SJPODRXIJSBZQH-BPKGMFCQSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC[C@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[C@H]2C1 ZINC001246839310 804548481 /nfs/dbraw/zinc/54/84/81/804548481.db2.gz SJPODRXIJSBZQH-BPKGMFCQSA-N 2 1 262.441 3.172 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246840112 804548839 /nfs/dbraw/zinc/54/88/39/804548839.db2.gz FEWMIEGHEANRMB-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246841104 804550346 /nfs/dbraw/zinc/55/03/46/804550346.db2.gz SXGUWJCDQSYTDC-FVQHAEBGSA-N 2 1 276.399 3.321 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246842718 804550413 /nfs/dbraw/zinc/55/04/13/804550413.db2.gz ZTEMQSBQIWPFPH-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP C[N@H+](C[C@@H]1CC1(C)C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246843423 804551705 /nfs/dbraw/zinc/55/17/05/804551705.db2.gz CHWHOGDUFKCHFH-ULQDDVLXSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246843423 804551708 /nfs/dbraw/zinc/55/17/08/804551708.db2.gz CHWHOGDUFKCHFH-ULQDDVLXSA-N 2 1 272.436 3.458 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001246844580 804554524 /nfs/dbraw/zinc/55/45/24/804554524.db2.gz ZJQYUJFPYIZOQI-CRAIPNDOSA-N 2 1 274.452 3.111 20 0 CGADMP c1ccc(C2CCC([N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246849235 804559956 /nfs/dbraw/zinc/55/99/56/804559956.db2.gz ZCVQAWAABWKEHR-CXUOOODFSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850237 804560078 /nfs/dbraw/zinc/56/00/78/804560078.db2.gz INUPMCRATMKHEO-NOLJZWGESA-N 2 1 278.827 3.270 20 0 CGADMP Clc1ccc([C@H]2CC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246851598 804561583 /nfs/dbraw/zinc/56/15/83/804561583.db2.gz LYSYUYIYEVBKJA-HOCLYGCPSA-N 2 1 278.827 3.271 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246858111 804562936 /nfs/dbraw/zinc/56/29/36/804562936.db2.gz BDUIBWJBFHNPOS-IRXDYDNUSA-N 2 1 278.415 3.424 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246856207 804563128 /nfs/dbraw/zinc/56/31/28/804563128.db2.gz ZQXIHRAEFCFUEE-UWWQBHOKSA-N 2 1 290.426 3.221 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861308 804565512 /nfs/dbraw/zinc/56/55/12/804565512.db2.gz AVQCRVNMAGUEID-DFGXFYAUSA-N 2 1 270.420 3.279 20 0 CGADMP C1C[C@@H](C2CCCCC2)[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246865817 804569792 /nfs/dbraw/zinc/56/97/92/804569792.db2.gz SKEZGZZUJREVBI-YVSFHVDLSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC(n3ccc4ccccc43)CC2)C[NH2+]1 ZINC001246867375 804570375 /nfs/dbraw/zinc/57/03/75/804570375.db2.gz IMPLGPMNHLKUDZ-QAPCUYQASA-N 2 1 297.446 3.419 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)CC[NH2+]1 ZINC001246871957 804573164 /nfs/dbraw/zinc/57/31/64/804573164.db2.gz SBKQNQSRBUHDJQ-WOSRLPQWSA-N 2 1 292.854 3.442 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246874206 804574473 /nfs/dbraw/zinc/57/44/73/804574473.db2.gz WCIDIAYMDSWBQJ-RDJZCZTQSA-N 2 1 294.389 3.319 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246877291 804575303 /nfs/dbraw/zinc/57/53/03/804575303.db2.gz BLJFWZWIOKVOGU-BCDXTJNWSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3cc(F)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246877291 804575304 /nfs/dbraw/zinc/57/53/04/804575304.db2.gz BLJFWZWIOKVOGU-BCDXTJNWSA-N 2 1 290.426 3.493 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246882606 804578065 /nfs/dbraw/zinc/57/80/65/804578065.db2.gz SDUDTTGXFHKUOG-NFAWXSAZSA-N 2 1 296.480 3.349 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001246895477 804585403 /nfs/dbraw/zinc/58/54/03/804585403.db2.gz TZQYBBFZUOFBCC-GOSISDBHSA-N 2 1 290.426 3.147 20 0 CGADMP CC[C@@H]1CC([N@H+]2C[C@H](C)CC23CC3)C[C@@H](CC)[NH2+]1 ZINC001246894419 804585628 /nfs/dbraw/zinc/58/56/28/804585628.db2.gz NOKJCQWROMHASU-MGPQQGTHSA-N 2 1 250.430 3.170 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141106369 804590063 /nfs/dbraw/zinc/59/00/63/804590063.db2.gz YXDGMQCSCRVXNR-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141106369 804590071 /nfs/dbraw/zinc/59/00/71/804590071.db2.gz YXDGMQCSCRVXNR-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141106369 804590079 /nfs/dbraw/zinc/59/00/79/804590079.db2.gz YXDGMQCSCRVXNR-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141106369 804590082 /nfs/dbraw/zinc/59/00/82/804590082.db2.gz YXDGMQCSCRVXNR-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913031 804596840 /nfs/dbraw/zinc/59/68/40/804596840.db2.gz JEVICQYFTVJZEN-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913031 804596846 /nfs/dbraw/zinc/59/68/46/804596846.db2.gz JEVICQYFTVJZEN-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246919767 804600191 /nfs/dbraw/zinc/60/01/91/804600191.db2.gz KQNZPHUEJAHIDZ-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246919767 804600194 /nfs/dbraw/zinc/60/01/94/804600194.db2.gz KQNZPHUEJAHIDZ-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001246922468 804602715 /nfs/dbraw/zinc/60/27/15/804602715.db2.gz WBDRTEKZBPNJFH-BRSBDYLESA-N 2 1 276.468 3.421 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927647 804605631 /nfs/dbraw/zinc/60/56/31/804605631.db2.gz HTGKLWURSSDHLS-SJORKVTESA-N 2 1 284.488 3.436 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927647 804605633 /nfs/dbraw/zinc/60/56/33/804605633.db2.gz HTGKLWURSSDHLS-SJORKVTESA-N 2 1 284.488 3.436 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246931048 804605963 /nfs/dbraw/zinc/60/59/63/804605963.db2.gz MUJKQGUWPNQJAL-CEXWTWQISA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CSc1ccc(C)cc1 ZINC001246935297 804607335 /nfs/dbraw/zinc/60/73/35/804607335.db2.gz GPBNWLPFPCXMLT-HZPDHXFCSA-N 2 1 292.492 3.407 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246934349 804607397 /nfs/dbraw/zinc/60/73/97/804607397.db2.gz CHMYBWQUOZQKES-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937064 804608221 /nfs/dbraw/zinc/60/82/21/804608221.db2.gz YWCHWYHSJUSWCR-JONQDZQNSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246935824 804608233 /nfs/dbraw/zinc/60/82/33/804608233.db2.gz BJABXHSRNGJFNJ-IXDOHACOSA-N 2 1 258.409 3.007 20 0 CGADMP CCC(CC)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938956 804610951 /nfs/dbraw/zinc/61/09/51/804610951.db2.gz QMGQVRSPXOFBGX-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CSc1ccc(F)cc1 ZINC001246942168 804612560 /nfs/dbraw/zinc/61/25/60/804612560.db2.gz NIRXKTCSAUXADG-KGLIPLIRSA-N 2 1 296.455 3.238 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246947816 804614740 /nfs/dbraw/zinc/61/47/40/804614740.db2.gz YPELWQYFGXLXEG-CYBMUJFWSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001246957773 804618090 /nfs/dbraw/zinc/61/80/90/804618090.db2.gz CMZFETZQFDLXPS-OAHLLOKOSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246968561 804621348 /nfs/dbraw/zinc/62/13/48/804621348.db2.gz RLJPQPJEOSWWEO-PIIMJCKOSA-N 2 1 270.420 3.026 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC001246971717 804623086 /nfs/dbraw/zinc/62/30/86/804623086.db2.gz BPCTVCMGAMOSDN-OTRWWLKZSA-N 2 1 290.476 3.145 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001246972416 804623224 /nfs/dbraw/zinc/62/32/24/804623224.db2.gz FAAWQOMWMUEYMW-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP CC[C@H](CC(C)C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246976755 804623657 /nfs/dbraw/zinc/62/36/57/804623657.db2.gz WCHARRCNPCNQFM-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCC[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247014560 804642987 /nfs/dbraw/zinc/64/29/87/804642987.db2.gz KZARIZZWSLOHCW-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247014560 804642990 /nfs/dbraw/zinc/64/29/90/804642990.db2.gz KZARIZZWSLOHCW-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144137536 804943896 /nfs/dbraw/zinc/94/38/96/804943896.db2.gz JTVJTFLSWVMQQC-UHFFFAOYSA-N 2 1 290.451 3.043 20 0 CGADMP CCc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144137536 804943897 /nfs/dbraw/zinc/94/38/97/804943897.db2.gz JTVJTFLSWVMQQC-UHFFFAOYSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@H]1CC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257078921 807044598 /nfs/dbraw/zinc/04/45/98/807044598.db2.gz AZUCZRQWCZGUNO-YXWQFLTLSA-N 2 1 280.456 3.067 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257083117 807046635 /nfs/dbraw/zinc/04/66/35/807046635.db2.gz FSDAHQRCOAXFGY-CUSZFKRNSA-N 2 1 290.451 3.039 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@@H](C)O[C@H](C)C1 ZINC001257083116 807047011 /nfs/dbraw/zinc/04/70/11/807047011.db2.gz FSDAHQRCOAXFGY-BZUAXINKSA-N 2 1 290.451 3.039 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154985519 805517441 /nfs/dbraw/zinc/51/74/41/805517441.db2.gz NGKJYNODFQVRSJ-CHWSQXEVSA-N 2 1 255.365 3.225 20 0 CGADMP CC(C)c1ccc(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]c1 ZINC001155023970 805524756 /nfs/dbraw/zinc/52/47/56/805524756.db2.gz GJCSNHVYYIGVKF-UKRRQHHQSA-N 2 1 261.413 3.253 20 0 CGADMP CC[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256860850 806992300 /nfs/dbraw/zinc/99/23/00/806992300.db2.gz GUUGUGDZPGJXOS-OAHLLOKOSA-N 2 1 273.424 3.172 20 0 CGADMP c1ccc2c(c1)CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256855377 806992790 /nfs/dbraw/zinc/99/27/90/806992790.db2.gz KOISENCAZKQZSK-UHFFFAOYSA-N 2 1 293.414 3.109 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256861422 806993511 /nfs/dbraw/zinc/99/35/11/806993511.db2.gz NSHKADBQRXVYHA-GASCZTMLSA-N 2 1 273.424 3.028 20 0 CGADMP CCC1CCC([NH+]2CCC([N@@H+](C)CC)CC2)CC1 ZINC001256875638 806998658 /nfs/dbraw/zinc/99/86/58/806998658.db2.gz CKPUBVQOKHLCAC-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CCCC[C@H](CC)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001257412981 807143205 /nfs/dbraw/zinc/14/32/05/807143205.db2.gz PLJBMAHDFSLKMI-HNNXBMFYSA-N 3 1 285.520 3.431 20 0 CGADMP CC[C@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001257435457 807154766 /nfs/dbraw/zinc/15/47/66/807154766.db2.gz DIPQOQDATOAQAN-HNNXBMFYSA-N 2 1 260.425 3.429 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001257470178 807172969 /nfs/dbraw/zinc/17/29/69/807172969.db2.gz GAIBQQBMZBSTPB-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001257486566 807180123 /nfs/dbraw/zinc/18/01/23/807180123.db2.gz YAFPLECJSAIJNI-CABCVRRESA-N 2 1 263.429 3.346 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001257486566 807180128 /nfs/dbraw/zinc/18/01/28/807180128.db2.gz YAFPLECJSAIJNI-CABCVRRESA-N 2 1 263.429 3.346 20 0 CGADMP CCC[NH+](CCC)CC[NH2+]C1CCC(OC(C)C)CC1 ZINC001257870288 807231618 /nfs/dbraw/zinc/23/16/18/807231618.db2.gz IEURZIGMTXVWGI-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1c[nH+]cc2cc[nH]c21 ZINC001167753759 807243693 /nfs/dbraw/zinc/24/36/93/807243693.db2.gz QFMJPVCOHGNTIL-ZDUSSCGKSA-N 2 1 272.396 3.239 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001167824257 807255909 /nfs/dbraw/zinc/25/59/09/807255909.db2.gz CWKAFBPUFXLJLR-DLBZAZTESA-N 2 1 289.467 3.381 20 0 CGADMP Cc1cc[nH+]c2cc(NCC[NH+]3CCSCC3)ccc12 ZINC001167836662 807259105 /nfs/dbraw/zinc/25/91/05/807259105.db2.gz BETTZUBDKJNGGA-UHFFFAOYSA-N 2 1 287.432 3.004 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3ocnc3c2)CC1 ZINC001258004919 807264776 /nfs/dbraw/zinc/26/47/76/807264776.db2.gz MOPJXDZLSMOQFR-UHFFFAOYSA-N 2 1 287.407 3.038 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1C1CC[NH+](CC(C)C)CC1 ZINC001258017105 807266673 /nfs/dbraw/zinc/26/66/73/807266673.db2.gz RCQSUJQFXOJOPT-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](C)C[C@@H]2C)CC1 ZINC001258016279 807267291 /nfs/dbraw/zinc/26/72/91/807267291.db2.gz FWKIUBLJJIVBIM-GJZGRUSLSA-N 2 1 252.446 3.227 20 0 CGADMP CCC(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958982 807286050 /nfs/dbraw/zinc/28/60/50/807286050.db2.gz LTAMLTJSFMABSS-ALOPSCKCSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cccc(C(=[NH2+])NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167970410 807287423 /nfs/dbraw/zinc/28/74/23/807287423.db2.gz KFZLJBMFFPRZIW-AYHJJNSGSA-N 2 1 297.446 3.315 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1C[C@H]3CCC[C@@H]3C1)C2 ZINC001167983304 807290615 /nfs/dbraw/zinc/29/06/15/807290615.db2.gz FIBWRARZLURHFP-VQVIJEGRSA-N 2 1 274.452 3.124 20 0 CGADMP C[N@@H+](CC1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994484 807295538 /nfs/dbraw/zinc/29/55/38/807295538.db2.gz GHAXADKFWQXBNV-XYPWUTKMSA-N 2 1 298.421 3.369 20 0 CGADMP C[NH+](CC1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994484 807295541 /nfs/dbraw/zinc/29/55/41/807295541.db2.gz GHAXADKFWQXBNV-XYPWUTKMSA-N 2 1 298.421 3.369 20 0 CGADMP C[NH+](CC1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994484 807295545 /nfs/dbraw/zinc/29/55/45/807295545.db2.gz GHAXADKFWQXBNV-XYPWUTKMSA-N 2 1 298.421 3.369 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004923 807298719 /nfs/dbraw/zinc/29/87/19/807298719.db2.gz BVVKQGWUSLYCGJ-JLVBRIDZSA-N 2 1 272.436 3.428 20 0 CGADMP c1ccc(CC[NH+]2CCC([N@@H+]3CCCC34CC4)CC2)cc1 ZINC001258140632 807318867 /nfs/dbraw/zinc/31/88/67/807318867.db2.gz ACPNBFZMHNDXNN-UHFFFAOYSA-N 2 1 284.447 3.322 20 0 CGADMP c1ccc(CC[NH+]2CCC([N@H+]3CCCC34CC4)CC2)cc1 ZINC001258140632 807318877 /nfs/dbraw/zinc/31/88/77/807318877.db2.gz ACPNBFZMHNDXNN-UHFFFAOYSA-N 2 1 284.447 3.322 20 0 CGADMP C[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258144747 807319695 /nfs/dbraw/zinc/31/96/95/807319695.db2.gz WNYZOCPVIHSTLI-MRXNPFEDSA-N 2 1 272.436 3.035 20 0 CGADMP C[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258144747 807319704 /nfs/dbraw/zinc/31/97/04/807319704.db2.gz WNYZOCPVIHSTLI-MRXNPFEDSA-N 2 1 272.436 3.035 20 0 CGADMP CC/C=C/[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258135809 807320197 /nfs/dbraw/zinc/32/01/97/807320197.db2.gz GZCWYWNXVVMVRM-KGVSQERTSA-N 2 1 258.409 3.207 20 0 CGADMP CSCC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001258200271 807359958 /nfs/dbraw/zinc/35/99/58/807359958.db2.gz RMTUAWZXIQETRG-CYBMUJFWSA-N 2 1 258.475 3.112 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001258170389 807338907 /nfs/dbraw/zinc/33/89/07/807338907.db2.gz KDTPHNGRUQYUAP-ZIAGYGMSSA-N 2 1 252.446 3.227 20 0 CGADMP CSCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258200863 807361502 /nfs/dbraw/zinc/36/15/02/807361502.db2.gz YBFHNDCKTZCJRF-ZNMIVQPWSA-N 2 1 272.502 3.086 20 0 CGADMP C[C@H]1C[N@@H+](C2CC[NH+](CC3CC3)CC2)CCC[C@@H]1C ZINC001168373677 807396103 /nfs/dbraw/zinc/39/61/03/807396103.db2.gz SJMCXMJFRQGGDJ-GJZGRUSLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@]1(F)CCCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371483 807397040 /nfs/dbraw/zinc/39/70/40/807397040.db2.gz GNMYISHHNRUICU-MRXNPFEDSA-N 2 1 268.420 3.075 20 0 CGADMP C[C@@]1(F)CCCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371483 807397047 /nfs/dbraw/zinc/39/70/47/807397047.db2.gz GNMYISHHNRUICU-MRXNPFEDSA-N 2 1 268.420 3.075 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cncc(Cl)c1 ZINC001168371959 807398066 /nfs/dbraw/zinc/39/80/66/807398066.db2.gz QWHYTBXPQYRFHW-GFCCVEGCSA-N 2 1 293.842 3.260 20 0 CGADMP CC1(C)CCC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001258293206 807400633 /nfs/dbraw/zinc/40/06/33/807400633.db2.gz KNCKWUDLKVZGSN-CQSZACIVSA-N 2 1 261.413 3.491 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258325636 807410970 /nfs/dbraw/zinc/41/09/70/807410970.db2.gz AOWNDZBNIUAWGV-KBPBESRZSA-N 2 1 272.502 3.227 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258325636 807410976 /nfs/dbraw/zinc/41/09/76/807410976.db2.gz AOWNDZBNIUAWGV-KBPBESRZSA-N 2 1 272.502 3.227 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168443579 807417178 /nfs/dbraw/zinc/41/71/78/807417178.db2.gz CVPZFEIKMNDCGY-GOSISDBHSA-N 2 1 292.442 3.347 20 0 CGADMP CCC(CC)[N@@H+]([C@@H](C)CCC(=O)OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258357218 807426562 /nfs/dbraw/zinc/42/65/62/807426562.db2.gz HLEHXYQPWXFSOK-DZKIICNBSA-N 2 1 298.471 3.089 20 0 CGADMP Cn1ccc2c1[nH+]ccc2N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168548389 807442512 /nfs/dbraw/zinc/44/25/12/807442512.db2.gz MIBDTBUJEDNWHZ-ZDUSSCGKSA-N 2 1 292.386 3.157 20 0 CGADMP CCCC1CCC([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258531270 807487827 /nfs/dbraw/zinc/48/78/27/807487827.db2.gz ZCPDYTJNPKGGCG-PQCUMEFNSA-N 2 1 294.483 3.316 20 0 CGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC001258604377 807501777 /nfs/dbraw/zinc/50/17/77/807501777.db2.gz BRQITTVVARYKBP-IRXDYDNUSA-N 2 1 294.483 3.140 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC001258607738 807505073 /nfs/dbraw/zinc/50/50/73/807505073.db2.gz OUOWYHHSOXCPKA-HNNXBMFYSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001258651249 807523522 /nfs/dbraw/zinc/52/35/22/807523522.db2.gz LSQJDSNQZGPOLV-ROUUACIJSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258663360 807532256 /nfs/dbraw/zinc/53/22/56/807532256.db2.gz RFNOJOHKQBWQHP-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258663360 807532258 /nfs/dbraw/zinc/53/22/58/807532258.db2.gz RFNOJOHKQBWQHP-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258663360 807532260 /nfs/dbraw/zinc/53/22/60/807532260.db2.gz RFNOJOHKQBWQHP-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258674210 807538573 /nfs/dbraw/zinc/53/85/73/807538573.db2.gz SGZXMARDZWLGNN-HNNXBMFYSA-N 2 1 263.429 3.490 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258674210 807538578 /nfs/dbraw/zinc/53/85/78/807538578.db2.gz SGZXMARDZWLGNN-HNNXBMFYSA-N 2 1 263.429 3.490 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001169049507 807559818 /nfs/dbraw/zinc/55/98/18/807559818.db2.gz ITHYCYLNAKCPOJ-ROUUACIJSA-N 2 1 274.452 3.185 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169092893 807572005 /nfs/dbraw/zinc/57/20/05/807572005.db2.gz DOAMXANXNHDNAS-OSYLJGHBSA-N 2 1 258.409 3.018 20 0 CGADMP Cc1cccc2c(CC[NH3+])cn([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c21 ZINC001169089676 807572223 /nfs/dbraw/zinc/57/22/23/807572223.db2.gz FVLQOIMPCCRRRE-BJWYYQGGSA-N 2 1 297.446 3.249 20 0 CGADMP CCCC[C@H](CC)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099432 807575623 /nfs/dbraw/zinc/57/56/23/807575623.db2.gz RNRPOTBGWBRQDZ-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001169100966 807576735 /nfs/dbraw/zinc/57/67/35/807576735.db2.gz NCBAASGWWMRHKP-ZURLZEQWSA-N 2 1 270.420 3.450 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169114968 807581548 /nfs/dbraw/zinc/58/15/48/807581548.db2.gz FVXNWZSCKXPRMF-QKDCVEJESA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169114968 807581551 /nfs/dbraw/zinc/58/15/51/807581551.db2.gz FVXNWZSCKXPRMF-QKDCVEJESA-N 2 1 288.435 3.145 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169114095 807582005 /nfs/dbraw/zinc/58/20/05/807582005.db2.gz XBNJHNWCLAEMJY-NWJOVSIXSA-N 2 1 264.457 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3F)CC1)C2 ZINC001169118817 807582876 /nfs/dbraw/zinc/58/28/76/807582876.db2.gz OEYFZJNJPVUIIR-MUJYYYPQSA-N 2 1 288.410 3.116 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169118383 807583061 /nfs/dbraw/zinc/58/30/61/807583061.db2.gz IVXBOYLTTPNVSG-JONQDZQNSA-N 2 1 288.435 3.361 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118383 807583064 /nfs/dbraw/zinc/58/30/64/807583064.db2.gz IVXBOYLTTPNVSG-JONQDZQNSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(F)c3)CCC1)C2 ZINC001169117165 807583531 /nfs/dbraw/zinc/58/35/31/807583531.db2.gz XAVQOBCKVJHHLC-BJWYYQGGSA-N 2 1 288.410 3.420 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142444 807589813 /nfs/dbraw/zinc/58/98/13/807589813.db2.gz UVNSPGQWDFKWEL-MUJYYYPQSA-N 2 1 278.827 3.397 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142444 807589817 /nfs/dbraw/zinc/58/98/17/807589817.db2.gz UVNSPGQWDFKWEL-MUJYYYPQSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142444 807589822 /nfs/dbraw/zinc/58/98/22/807589822.db2.gz UVNSPGQWDFKWEL-MUJYYYPQSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142444 807589828 /nfs/dbraw/zinc/58/98/28/807589828.db2.gz UVNSPGQWDFKWEL-MUJYYYPQSA-N 2 1 278.827 3.397 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169152902 807594589 /nfs/dbraw/zinc/59/45/89/807594589.db2.gz GGWPAPUCQGDSNU-XMTFNYHQSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169152902 807594590 /nfs/dbraw/zinc/59/45/90/807594590.db2.gz GGWPAPUCQGDSNU-XMTFNYHQSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001169152902 807594593 /nfs/dbraw/zinc/59/45/93/807594593.db2.gz GGWPAPUCQGDSNU-XMTFNYHQSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001169152902 807594595 /nfs/dbraw/zinc/59/45/95/807594595.db2.gz GGWPAPUCQGDSNU-XMTFNYHQSA-N 2 1 285.435 3.152 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSc3ccccc3C1)C2 ZINC001169154779 807595769 /nfs/dbraw/zinc/59/57/69/807595769.db2.gz UZSQJZDOEHILQX-ZSHCYNCHSA-N 2 1 288.460 3.220 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSc3ccccc3C1)C2 ZINC001169154779 807595771 /nfs/dbraw/zinc/59/57/71/807595771.db2.gz UZSQJZDOEHILQX-ZSHCYNCHSA-N 2 1 288.460 3.220 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCSc3ccccc3C1)C2 ZINC001169154779 807595774 /nfs/dbraw/zinc/59/57/74/807595774.db2.gz UZSQJZDOEHILQX-ZSHCYNCHSA-N 2 1 288.460 3.220 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCSc3ccccc3C1)C2 ZINC001169154779 807595775 /nfs/dbraw/zinc/59/57/75/807595775.db2.gz UZSQJZDOEHILQX-ZSHCYNCHSA-N 2 1 288.460 3.220 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC001169155175 807596910 /nfs/dbraw/zinc/59/69/10/807596910.db2.gz ZDJKRFHYQRMOKQ-PIIMJCKOSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC001169155175 807596913 /nfs/dbraw/zinc/59/69/13/807596913.db2.gz ZDJKRFHYQRMOKQ-PIIMJCKOSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169155175 807596917 /nfs/dbraw/zinc/59/69/17/807596917.db2.gz ZDJKRFHYQRMOKQ-PIIMJCKOSA-N 2 1 272.436 3.360 20 0 CGADMP C[N@@H+]([C@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160204 807598103 /nfs/dbraw/zinc/59/81/03/807598103.db2.gz CCSRWLCUVWNZGO-LHHMISFZSA-N 2 1 270.420 3.231 20 0 CGADMP C[NH+]([C@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160204 807598110 /nfs/dbraw/zinc/59/81/10/807598110.db2.gz CCSRWLCUVWNZGO-LHHMISFZSA-N 2 1 270.420 3.231 20 0 CGADMP C[NH+]([C@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160204 807598113 /nfs/dbraw/zinc/59/81/13/807598113.db2.gz CCSRWLCUVWNZGO-LHHMISFZSA-N 2 1 270.420 3.231 20 0 CGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC001258826090 807639833 /nfs/dbraw/zinc/63/98/33/807639833.db2.gz HKDWMYILRIGLBQ-CGTJXYLNSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC001258906792 807672626 /nfs/dbraw/zinc/67/26/26/807672626.db2.gz AFZKTLBYMCEFLH-HNNXBMFYSA-N 2 1 263.429 3.024 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC001258907928 807672854 /nfs/dbraw/zinc/67/28/54/807672854.db2.gz OLQUQNYWHCWSHW-HNNXBMFYSA-N 2 1 290.451 3.261 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001258907141 807672882 /nfs/dbraw/zinc/67/28/82/807672882.db2.gz GMWCYDVUQFNDLO-GVDBMIGSSA-N 2 1 294.483 3.331 20 0 CGADMP C[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)CC(C)(C)C ZINC001169761700 807704880 /nfs/dbraw/zinc/70/48/80/807704880.db2.gz MZWHSYJTQKBUMU-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@H]([NH2+]CCc1c(F)cccc1Cl)c1c[nH+]ccc1N ZINC001261422754 807741796 /nfs/dbraw/zinc/74/17/96/807741796.db2.gz FIVRCTIZVVSVIR-JTQLQIEISA-N 2 1 293.773 3.180 20 0 CGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001261836581 807793151 /nfs/dbraw/zinc/79/31/51/807793151.db2.gz GZOACQSYZJZZBD-YOEHRIQHSA-N 2 1 290.426 3.393 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@@H](CCC[NH3+])C3)C[C@@H]21 ZINC001170736255 807893849 /nfs/dbraw/zinc/89/38/49/807893849.db2.gz IYPUMFLJOBKLRW-YHUYYLMFSA-N 2 1 264.457 3.262 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCOCC1 ZINC001170800117 807908758 /nfs/dbraw/zinc/90/87/58/807908758.db2.gz UEAPVVSMTLDWLP-XIRDDKMYSA-N 2 1 282.472 3.316 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170917382 807933259 /nfs/dbraw/zinc/93/32/59/807933259.db2.gz QMHBGSBCGCDHQI-CYBMUJFWSA-N 2 1 289.810 3.158 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170956886 807944314 /nfs/dbraw/zinc/94/43/14/807944314.db2.gz IOAYVRSZTMKYNY-GDBMZVCRSA-N 2 1 290.426 3.005 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171032614 807966804 /nfs/dbraw/zinc/96/68/04/807966804.db2.gz HBXJXYWEZADIND-CQSZACIVSA-N 2 1 280.843 3.081 20 0 CGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171397705 808045414 /nfs/dbraw/zinc/04/54/14/808045414.db2.gz SWPNFIMCUHRSDH-QGZVFWFLSA-N 2 1 298.405 3.144 20 0 CGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171397705 808045419 /nfs/dbraw/zinc/04/54/19/808045419.db2.gz SWPNFIMCUHRSDH-QGZVFWFLSA-N 2 1 298.405 3.144 20 0 CGADMP CC[N@@H+](C)C1CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171443182 808059491 /nfs/dbraw/zinc/05/94/91/808059491.db2.gz YJZHXJUKBUYBGD-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171443182 808059499 /nfs/dbraw/zinc/05/94/99/808059499.db2.gz YJZHXJUKBUYBGD-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171443182 808059506 /nfs/dbraw/zinc/05/95/06/808059506.db2.gz YJZHXJUKBUYBGD-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+](C)C1CCC([NH3+])CC1)C2 ZINC001171552625 808093174 /nfs/dbraw/zinc/09/31/74/808093174.db2.gz CPUHZTGBMSPPJG-JCYILVPMSA-N 2 1 272.436 3.054 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccn1 ZINC001171613293 808105298 /nfs/dbraw/zinc/10/52/98/808105298.db2.gz IMHIRVOCYNZTQE-ZDUSSCGKSA-N 2 1 275.440 3.384 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc(O)c2)CC1(C)C ZINC001171619518 808106866 /nfs/dbraw/zinc/10/68/66/808106866.db2.gz NOJJSOKVLSDVGT-UHFFFAOYSA-N 2 1 276.424 3.133 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@](C)(F)C2)CC1(C)C ZINC001171631381 808108238 /nfs/dbraw/zinc/10/82/38/808108238.db2.gz HUGGLKBJMCXSTG-INIZCTEOSA-N 2 1 270.436 3.462 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC3(CC3)C2)CC1(C)C ZINC001171632194 808109055 /nfs/dbraw/zinc/10/90/55/808109055.db2.gz WLNMOZQQHYXOHL-UHFFFAOYSA-N 2 1 250.430 3.124 20 0 CGADMP CCCO[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171638149 808109157 /nfs/dbraw/zinc/10/91/57/808109157.db2.gz UJDPBQXWCHECGP-OAHLLOKOSA-N 2 1 282.472 3.139 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171774748 808135489 /nfs/dbraw/zinc/13/54/89/808135489.db2.gz DEBFCRIWOMLYFB-OAHLLOKOSA-N 2 1 278.415 3.005 20 0 CGADMP CC(C)[N@@H+]([C@H]1Cc2cccc(F)c2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171785343 808138979 /nfs/dbraw/zinc/13/89/79/808138979.db2.gz MWJOTPVZEZQQKC-JYJNAYRXSA-N 2 1 290.426 3.273 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001172100581 808171702 /nfs/dbraw/zinc/17/17/02/808171702.db2.gz FNAPKJKFRZZSDC-APIJFGDWSA-N 2 1 276.399 3.492 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172099991 808172067 /nfs/dbraw/zinc/17/20/67/808172067.db2.gz OAECTNXDJPCDGC-NNZMDNLPSA-N 2 1 272.436 3.408 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccccc1Cl)C2 ZINC001172100028 808172822 /nfs/dbraw/zinc/17/28/22/808172822.db2.gz OUTZJECYRDLDQJ-MUJYYYPQSA-N 2 1 292.854 3.487 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nccc3ccccc31)C2 ZINC001172104362 808173997 /nfs/dbraw/zinc/17/39/97/808173997.db2.gz FCFIGSVTFVPERH-OSYLJGHBSA-N 2 1 295.430 3.340 20 0 CGADMP COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102818 808174227 /nfs/dbraw/zinc/17/42/27/808174227.db2.gz PDOZUUSZWOFLSB-DZUCGIPZSA-N 2 1 288.435 3.361 20 0 CGADMP COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102818 808174229 /nfs/dbraw/zinc/17/42/29/808174229.db2.gz PDOZUUSZWOFLSB-DZUCGIPZSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCc1ccc(F)cc1)C2 ZINC001172108775 808175773 /nfs/dbraw/zinc/17/57/73/808175773.db2.gz YZRYIHUBTFAONB-NNZMDNLPSA-N 2 1 290.426 3.363 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)C2 ZINC001172109233 808177727 /nfs/dbraw/zinc/17/77/27/808177727.db2.gz IPZAGGMWWWKLGI-KYHPRHEASA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)CC1CC1)C2 ZINC001172112714 808178987 /nfs/dbraw/zinc/17/89/87/808178987.db2.gz ZTMYPHOGJFTJBU-PHZGNYQRSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cccc2c1CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172113631 808180946 /nfs/dbraw/zinc/18/09/46/808180946.db2.gz LFENZVUHFVQKTG-PIIMJCKOSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1cccc2c1CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172113631 808180950 /nfs/dbraw/zinc/18/09/50/808180950.db2.gz LFENZVUHFVQKTG-PIIMJCKOSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172113631 808180955 /nfs/dbraw/zinc/18/09/55/808180955.db2.gz LFENZVUHFVQKTG-PIIMJCKOSA-N 2 1 284.447 3.368 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001172115806 808181118 /nfs/dbraw/zinc/18/11/18/808181118.db2.gz AESFLIAWESMNNY-APIJFGDWSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001172115806 808181121 /nfs/dbraw/zinc/18/11/21/808181121.db2.gz AESFLIAWESMNNY-APIJFGDWSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1(F)F ZINC001172115806 808181127 /nfs/dbraw/zinc/18/11/27/808181127.db2.gz AESFLIAWESMNNY-APIJFGDWSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1(F)F ZINC001172115806 808181131 /nfs/dbraw/zinc/18/11/31/808181131.db2.gz AESFLIAWESMNNY-APIJFGDWSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172119789 808183596 /nfs/dbraw/zinc/18/35/96/808183596.db2.gz HYJLUDLTDKWBGH-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172119789 808183599 /nfs/dbraw/zinc/18/35/99/808183599.db2.gz HYJLUDLTDKWBGH-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172119789 808183600 /nfs/dbraw/zinc/18/36/00/808183600.db2.gz HYJLUDLTDKWBGH-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119789 808183603 /nfs/dbraw/zinc/18/36/03/808183603.db2.gz HYJLUDLTDKWBGH-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC13CCCCC3)C2 ZINC001172120011 808183643 /nfs/dbraw/zinc/18/36/43/808183643.db2.gz IROSKYMWXGDIEH-MUJYYYPQSA-N 2 1 262.441 3.410 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC13CCCCC3)C2 ZINC001172120011 808183646 /nfs/dbraw/zinc/18/36/46/808183646.db2.gz IROSKYMWXGDIEH-MUJYYYPQSA-N 2 1 262.441 3.410 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC13CCCCC3)C2 ZINC001172120011 808183648 /nfs/dbraw/zinc/18/36/48/808183648.db2.gz IROSKYMWXGDIEH-MUJYYYPQSA-N 2 1 262.441 3.410 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C3CCCC1CCC3)C2 ZINC001172127001 808185081 /nfs/dbraw/zinc/18/50/81/808185081.db2.gz FQBPEIWDHPPHAN-BOXKHOIUSA-N 2 1 262.441 3.409 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C3CCCC1CCC3)C2 ZINC001172127001 808185088 /nfs/dbraw/zinc/18/50/88/808185088.db2.gz FQBPEIWDHPPHAN-BOXKHOIUSA-N 2 1 262.441 3.409 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3ccccn3)CC1)C2 ZINC001172123443 808186402 /nfs/dbraw/zinc/18/64/02/808186402.db2.gz GDGVKIMACBSTBY-PIIMJCKOSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3ccccn3)CC1)C2 ZINC001172123443 808186406 /nfs/dbraw/zinc/18/64/06/808186406.db2.gz GDGVKIMACBSTBY-PIIMJCKOSA-N 2 1 299.462 3.276 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172208054 808199491 /nfs/dbraw/zinc/19/94/91/808199491.db2.gz HBZZYMLVENUZPQ-INIZCTEOSA-N 2 1 290.476 3.120 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172208054 808199494 /nfs/dbraw/zinc/19/94/94/808199494.db2.gz HBZZYMLVENUZPQ-INIZCTEOSA-N 2 1 290.476 3.120 20 0 CGADMP CC1(C)C[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172282402 808213304 /nfs/dbraw/zinc/21/33/04/808213304.db2.gz UASFEJITVDGARC-ULQDDVLXSA-N 2 1 294.483 3.316 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172339444 808239929 /nfs/dbraw/zinc/23/99/29/808239929.db2.gz UPNSGVZDLYNKFS-BQFCYCMXSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172339444 808239933 /nfs/dbraw/zinc/23/99/33/808239933.db2.gz UPNSGVZDLYNKFS-BQFCYCMXSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001172363538 808257984 /nfs/dbraw/zinc/25/79/84/808257984.db2.gz KVEACMOBCXWVTB-IZKTWJBDSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172363538 808257989 /nfs/dbraw/zinc/25/79/89/808257989.db2.gz KVEACMOBCXWVTB-IZKTWJBDSA-N 2 1 264.457 3.416 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001172391327 808282228 /nfs/dbraw/zinc/28/22/28/808282228.db2.gz QJYFPIOFTJLXIA-ROUUACIJSA-N 2 1 295.515 3.138 20 0 CGADMP CC[C@@H](CC(C)C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001172398479 808286862 /nfs/dbraw/zinc/28/68/62/808286862.db2.gz FICCLCHRCMGKMA-DLBZAZTESA-N 2 1 260.425 3.197 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001172398479 808286869 /nfs/dbraw/zinc/28/68/69/808286869.db2.gz FICCLCHRCMGKMA-DLBZAZTESA-N 2 1 260.425 3.197 20 0 CGADMP CC[C@@H](CC(C)C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172404483 808292111 /nfs/dbraw/zinc/29/21/11/808292111.db2.gz YREFVCXYRHKCQR-AWEZNQCLSA-N 2 1 252.446 3.370 20 0 CGADMP CC(C)OCC[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172441124 808316446 /nfs/dbraw/zinc/31/64/46/808316446.db2.gz SLZPDFXMPSCUNV-JKSUJKDBSA-N 2 1 270.461 3.031 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)CCOCC(C)C ZINC001172456633 808327328 /nfs/dbraw/zinc/32/73/28/808327328.db2.gz GTPAOUOQKAOSTG-INIZCTEOSA-N 2 1 272.477 3.149 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172456356 808326853 /nfs/dbraw/zinc/32/68/53/808326853.db2.gz CHYROMXJMHPRTM-FGTMMUONSA-N 2 1 298.515 3.395 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172552070 808381494 /nfs/dbraw/zinc/38/14/94/808381494.db2.gz VXSWXUZSPDONEM-SQNIBIBYSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C(C)(C)C[NH3+] ZINC001172578071 808396960 /nfs/dbraw/zinc/39/69/60/808396960.db2.gz ZDJGHPIMUZKDJM-VIFPVBQESA-N 2 1 290.785 3.266 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172720465 808419466 /nfs/dbraw/zinc/41/94/66/808419466.db2.gz RJDWUNNCVBNOBS-QGZVFWFLSA-N 2 1 292.854 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172720465 808419467 /nfs/dbraw/zinc/41/94/67/808419467.db2.gz RJDWUNNCVBNOBS-QGZVFWFLSA-N 2 1 292.854 3.223 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172840223 808455073 /nfs/dbraw/zinc/45/50/73/808455073.db2.gz AQZMNRAAJYQAJB-HAGHYFMRSA-N 2 1 298.474 3.457 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172840223 808455077 /nfs/dbraw/zinc/45/50/77/808455077.db2.gz AQZMNRAAJYQAJB-HAGHYFMRSA-N 2 1 298.474 3.457 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)CCC[NH+](C)C ZINC001172849212 808461850 /nfs/dbraw/zinc/46/18/50/808461850.db2.gz KQKKVWCASNHENO-LBPRGKRZSA-N 2 1 286.822 3.294 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)CCC[NH+](C)C ZINC001172849212 808461853 /nfs/dbraw/zinc/46/18/53/808461853.db2.gz KQKKVWCASNHENO-LBPRGKRZSA-N 2 1 286.822 3.294 20 0 CGADMP CO[C@H]1CCC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172926978 808484779 /nfs/dbraw/zinc/48/47/79/808484779.db2.gz DLXHOQYGOKTBGZ-DZUCGIPZSA-N 2 1 280.456 3.068 20 0 CGADMP CCCOC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001173096881 808508199 /nfs/dbraw/zinc/50/81/99/808508199.db2.gz UTSCMZFSLSAPAZ-CPFNUKBASA-N 2 1 296.499 3.433 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001173109416 808511729 /nfs/dbraw/zinc/51/17/29/808511729.db2.gz ILXLDNHIKSRANQ-DAWZGUTISA-N 2 1 294.483 3.284 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001173109310 808512624 /nfs/dbraw/zinc/51/26/24/808512624.db2.gz GNUVZJDTDDHMSC-FHERZECASA-N 2 1 270.436 3.463 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cccc(O)c2)CC1 ZINC001173110533 808513756 /nfs/dbraw/zinc/51/37/56/808513756.db2.gz VJYDWZRVYAGXIZ-UHFFFAOYSA-N 2 1 290.451 3.477 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](OC)C[C@@H]2C)CC1 ZINC001173117001 808515894 /nfs/dbraw/zinc/51/58/94/808515894.db2.gz IBRJCEIYIUMQIJ-ZGRYLRDCSA-N 2 1 282.472 3.139 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001173236448 808545944 /nfs/dbraw/zinc/54/59/44/808545944.db2.gz XMSGCVBDYQLTEX-DQEVTTJGSA-N 2 1 286.463 3.395 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001173246146 808554060 /nfs/dbraw/zinc/55/40/60/808554060.db2.gz WEXMQNYLFFBHJB-YJBOKZPZSA-N 2 1 274.452 3.254 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CC3(C)CCCCC3)C[C@H]2CC1 ZINC001274906099 808892869 /nfs/dbraw/zinc/89/28/69/808892869.db2.gz NXDDSLUMSKJZHO-IYBDPMFKSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CC3(C)CCCCC3)C[C@H]2CC1 ZINC001274906099 808892856 /nfs/dbraw/zinc/89/28/56/808892856.db2.gz NXDDSLUMSKJZHO-IYBDPMFKSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(C)CCCCC3)C[C@H]2CC1 ZINC001274906099 808892863 /nfs/dbraw/zinc/89/28/63/808892863.db2.gz NXDDSLUMSKJZHO-IYBDPMFKSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)(C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275050317 808900804 /nfs/dbraw/zinc/90/08/04/808900804.db2.gz CAPCFSBVNSOMCZ-IYBDPMFKSA-N 2 1 289.467 3.205 20 0 CGADMP CC(C)(C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275050317 808900809 /nfs/dbraw/zinc/90/08/09/808900809.db2.gz CAPCFSBVNSOMCZ-IYBDPMFKSA-N 2 1 289.467 3.205 20 0 CGADMP CC(C)(C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275050317 808900816 /nfs/dbraw/zinc/90/08/16/808900816.db2.gz CAPCFSBVNSOMCZ-IYBDPMFKSA-N 2 1 289.467 3.205 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CCCc3ccccc3)CC2)C1 ZINC001275110454 808909728 /nfs/dbraw/zinc/90/97/28/808909728.db2.gz XKYAMUDCLSXFRG-UHFFFAOYSA-N 2 1 286.463 3.427 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ccn3)CC2)C1 ZINC001275333977 808929265 /nfs/dbraw/zinc/92/92/65/808929265.db2.gz GTTGBFATYVWGSV-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ccn3)CC2)C1 ZINC001275333977 808929271 /nfs/dbraw/zinc/92/92/71/808929271.db2.gz GTTGBFATYVWGSV-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccnc(Cl)c3)CC2)C1 ZINC001275655304 808955947 /nfs/dbraw/zinc/95/59/47/808955947.db2.gz UMVYQRBLCZKLPP-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3occc3c1)CC2 ZINC001275660358 808956190 /nfs/dbraw/zinc/95/61/90/808956190.db2.gz NQWUFCBWLFHPSS-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP c1cc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)ccn1 ZINC001275887900 808974545 /nfs/dbraw/zinc/97/45/45/808974545.db2.gz BQLSMQMLVYVSIV-UHFFFAOYSA-N 2 1 299.462 3.312 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CC3Cc4ccccc4C3)C2)C1 ZINC001276003447 808983121 /nfs/dbraw/zinc/98/31/21/808983121.db2.gz KVEYLNBCNKHABN-HXUWFJFHSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CC3Cc4ccccc4C3)C2)C1 ZINC001276003447 808983124 /nfs/dbraw/zinc/98/31/24/808983124.db2.gz KVEYLNBCNKHABN-HXUWFJFHSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CC3Cc4ccccc4C3)C2)C1 ZINC001276003447 808983126 /nfs/dbraw/zinc/98/31/26/808983126.db2.gz KVEYLNBCNKHABN-HXUWFJFHSA-N 2 1 298.474 3.209 20 0 CGADMP Cc1ccc(F)c(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276243972 808996157 /nfs/dbraw/zinc/99/61/57/808996157.db2.gz NQHVPPDEHMIHCO-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP CCCC[N@@H+](C[C@@H](O)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984491 809227051 /nfs/dbraw/zinc/22/70/51/809227051.db2.gz QNRDWYGNVAWOPU-MRXNPFEDSA-N 2 1 298.515 3.415 20 0 CGADMP CC(C)C[N@@H+](C[C@@H]1CC(C)(C)CO1)CC1CC[NH+](C)CC1 ZINC001175601420 809470853 /nfs/dbraw/zinc/47/08/53/809470853.db2.gz KZLFOSBMINBVIW-KRWDZBQOSA-N 2 1 296.499 3.101 20 0 CGADMP CC(C)COc1ccccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC001177093905 809780080 /nfs/dbraw/zinc/78/00/80/809780080.db2.gz VICVDRZXSSLEBA-UHFFFAOYSA-N 2 1 292.467 3.399 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2Cc2ccccc2)CC1(C)C ZINC001179800664 809946567 /nfs/dbraw/zinc/94/65/67/809946567.db2.gz WVIJKNVKXLNKHS-KURKYZTESA-N 2 1 286.463 3.328 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001179815166 809947476 /nfs/dbraw/zinc/94/74/76/809947476.db2.gz DZNYSYABVBVZKI-HYVNUMGLSA-N 2 1 290.476 3.228 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC001180030460 809968287 /nfs/dbraw/zinc/96/82/87/809968287.db2.gz MHIFMUSXRVHZME-FGTMMUONSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC001180030460 809968293 /nfs/dbraw/zinc/96/82/93/809968293.db2.gz MHIFMUSXRVHZME-FGTMMUONSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC001180030460 809968299 /nfs/dbraw/zinc/96/82/99/809968299.db2.gz MHIFMUSXRVHZME-FGTMMUONSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC001181586344 810060689 /nfs/dbraw/zinc/06/06/89/810060689.db2.gz BMDZNKDXSNPNKJ-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC001181586344 810060694 /nfs/dbraw/zinc/06/06/94/810060694.db2.gz BMDZNKDXSNPNKJ-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001182308032 810103041 /nfs/dbraw/zinc/10/30/41/810103041.db2.gz DVTJSSBIQQCTAT-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001182308032 810103043 /nfs/dbraw/zinc/10/30/43/810103043.db2.gz DVTJSSBIQQCTAT-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001196783270 811367962 /nfs/dbraw/zinc/36/79/62/811367962.db2.gz ZATXLZBYQJPAQP-MOPGFXCFSA-N 2 1 280.415 3.223 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001196783270 811367970 /nfs/dbraw/zinc/36/79/70/811367970.db2.gz ZATXLZBYQJPAQP-MOPGFXCFSA-N 2 1 280.415 3.223 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001196783270 811367976 /nfs/dbraw/zinc/36/79/76/811367976.db2.gz ZATXLZBYQJPAQP-MOPGFXCFSA-N 2 1 280.415 3.223 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](C[C@H]2CC3(CO2)CCCCC3)CC1 ZINC001196982356 811389084 /nfs/dbraw/zinc/38/90/84/811389084.db2.gz MLSXGRVNKXZSPH-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C)c1 ZINC001197497370 811426274 /nfs/dbraw/zinc/42/62/74/811426274.db2.gz RGTRCPQETFBREG-ROUUACIJSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)c1cccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC001197497370 811426278 /nfs/dbraw/zinc/42/62/78/811426278.db2.gz RGTRCPQETFBREG-ROUUACIJSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)c1cccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC001197497370 811426285 /nfs/dbraw/zinc/42/62/85/811426285.db2.gz RGTRCPQETFBREG-ROUUACIJSA-N 2 1 272.436 3.479 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2ccccc2s1 ZINC001199874418 811602051 /nfs/dbraw/zinc/60/20/51/811602051.db2.gz IEDLXGGZCRTFGZ-UHFFFAOYSA-N 2 1 271.389 3.196 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CC[N@@H+]2CCCC[C@@H]2CC)CCO1 ZINC001200355540 811680924 /nfs/dbraw/zinc/68/09/24/811680924.db2.gz KNJJJDAOXRLPDH-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CC[N@H+]2CCCC[C@@H]2CC)CCO1 ZINC001200355540 811680928 /nfs/dbraw/zinc/68/09/28/811680928.db2.gz KNJJJDAOXRLPDH-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001200863852 811757861 /nfs/dbraw/zinc/75/78/61/811757861.db2.gz MORNVVVPFLFDCB-MSOLQXFVSA-N 2 1 296.499 3.293 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001200863852 811757868 /nfs/dbraw/zinc/75/78/68/811757868.db2.gz MORNVVVPFLFDCB-MSOLQXFVSA-N 2 1 296.499 3.293 20 0 CGADMP Cn1c[nH+]c2cccc(Nc3cccc(C[NH+](C)C)c3)c21 ZINC001201402905 811831697 /nfs/dbraw/zinc/83/16/97/811831697.db2.gz NQCVOBOIGNEQDR-UHFFFAOYSA-N 2 1 280.375 3.379 20 0 CGADMP CC[C@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201515477 811879031 /nfs/dbraw/zinc/87/90/31/811879031.db2.gz NJWGTHJBQICVAX-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201515477 811879009 /nfs/dbraw/zinc/87/90/09/811879009.db2.gz NJWGTHJBQICVAX-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201515477 811879022 /nfs/dbraw/zinc/87/90/22/811879022.db2.gz NJWGTHJBQICVAX-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC001201558202 811902708 /nfs/dbraw/zinc/90/27/08/811902708.db2.gz QXXOIMAXTGXHRO-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717252 811945650 /nfs/dbraw/zinc/94/56/50/811945650.db2.gz IPSQGVJEGRFBFL-MSOLQXFVSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717252 811945653 /nfs/dbraw/zinc/94/56/53/811945653.db2.gz IPSQGVJEGRFBFL-MSOLQXFVSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717252 811945656 /nfs/dbraw/zinc/94/56/56/811945656.db2.gz IPSQGVJEGRFBFL-MSOLQXFVSA-N 2 1 272.436 3.240 20 0 CGADMP CCCCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001201731797 811949916 /nfs/dbraw/zinc/94/99/16/811949916.db2.gz WNSQQDCGCBNMTJ-UHFFFAOYSA-N 2 1 261.413 3.119 20 0 CGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](CC4CCCC4)C[C@H]3C2)c1 ZINC001202138499 812024878 /nfs/dbraw/zinc/02/48/78/812024878.db2.gz HYEHQZPJLBLJIG-IYBDPMFKSA-N 2 1 290.476 3.302 20 0 CGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3C2)c1 ZINC001202138499 812024885 /nfs/dbraw/zinc/02/48/85/812024885.db2.gz HYEHQZPJLBLJIG-IYBDPMFKSA-N 2 1 290.476 3.302 20 0 CGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](CC4CCCC4)C[C@H]3C2)c1 ZINC001202138499 812024891 /nfs/dbraw/zinc/02/48/91/812024891.db2.gz HYEHQZPJLBLJIG-IYBDPMFKSA-N 2 1 290.476 3.302 20 0 CGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](CC4CCCC4)C[C@H]3C2)c1 ZINC001202138499 812024900 /nfs/dbraw/zinc/02/49/00/812024900.db2.gz HYEHQZPJLBLJIG-IYBDPMFKSA-N 2 1 290.476 3.302 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC001202189980 812033762 /nfs/dbraw/zinc/03/37/62/812033762.db2.gz IHAUTINVFQPDEM-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001203136496 812250737 /nfs/dbraw/zinc/25/07/37/812250737.db2.gz PSTDNFQMMLTXEG-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001203955262 812500475 /nfs/dbraw/zinc/50/04/75/812500475.db2.gz ALQLIVOAIDHBBG-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccc(C[N@@H+](C(C)C)C2CCN(C)CC2)cc1 ZINC001203972082 812505357 /nfs/dbraw/zinc/50/53/57/812505357.db2.gz ISWFTMWXSCCTAF-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC001204029188 812525157 /nfs/dbraw/zinc/52/51/57/812525157.db2.gz WPGKPYCQAXFJJU-IAGOWNOFSA-N 2 1 297.446 3.235 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165098 812560993 /nfs/dbraw/zinc/56/09/93/812560993.db2.gz OIUKJWLQLAOTAD-OKILXGFUSA-N 2 1 298.352 3.089 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165098 812560998 /nfs/dbraw/zinc/56/09/98/812560998.db2.gz OIUKJWLQLAOTAD-OKILXGFUSA-N 2 1 298.352 3.089 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165098 812561001 /nfs/dbraw/zinc/56/10/01/812561001.db2.gz OIUKJWLQLAOTAD-OKILXGFUSA-N 2 1 298.352 3.089 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001204165098 812561008 /nfs/dbraw/zinc/56/10/08/812561008.db2.gz OIUKJWLQLAOTAD-OKILXGFUSA-N 2 1 298.352 3.089 20 0 CGADMP Cc1[nH]c2ccccc2c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001204292537 812602062 /nfs/dbraw/zinc/60/20/62/812602062.db2.gz FRYBSMUOLNULTQ-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001204292537 812602065 /nfs/dbraw/zinc/60/20/65/812602065.db2.gz FRYBSMUOLNULTQ-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001204292537 812602068 /nfs/dbraw/zinc/60/20/68/812602068.db2.gz FRYBSMUOLNULTQ-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC001204320385 812611269 /nfs/dbraw/zinc/61/12/69/812611269.db2.gz WTJCNUBMKCXWQN-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC001204320385 812611274 /nfs/dbraw/zinc/61/12/74/812611274.db2.gz WTJCNUBMKCXWQN-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CCc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)o1 ZINC001204392111 812625763 /nfs/dbraw/zinc/62/57/63/812625763.db2.gz WZEQDFVQSNOKJN-UHFFFAOYSA-N 2 1 299.418 3.284 20 0 CGADMP CC[N@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001204599259 812685982 /nfs/dbraw/zinc/68/59/82/812685982.db2.gz VCAUMTJCICIKOK-GXTWGEPZSA-N 2 1 274.399 3.132 20 0 CGADMP CC[N@@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001204599259 812685984 /nfs/dbraw/zinc/68/59/84/812685984.db2.gz VCAUMTJCICIKOK-GXTWGEPZSA-N 2 1 274.399 3.132 20 0 CGADMP C[NH+](C)Cc1ccc(-c2ccc3c(c2)C[N@H+](C)CC3)cc1 ZINC001204660536 812703307 /nfs/dbraw/zinc/70/33/07/812703307.db2.gz HUMZYTGKKPJREL-UHFFFAOYSA-N 2 1 280.415 3.403 20 0 CGADMP Fc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1Cl ZINC001204735595 812720379 /nfs/dbraw/zinc/72/03/79/812720379.db2.gz ZJNPIPYMLRMROG-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)cc1F ZINC001204743033 812724067 /nfs/dbraw/zinc/72/40/67/812724067.db2.gz XYIKHRAYWJGZQJ-UHFFFAOYSA-N 2 1 294.389 3.239 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001204940269 812788587 /nfs/dbraw/zinc/78/85/87/812788587.db2.gz XBEICXXUGFDWLC-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001204940269 812788589 /nfs/dbraw/zinc/78/85/89/812788589.db2.gz XBEICXXUGFDWLC-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205076890 812849975 /nfs/dbraw/zinc/84/99/75/812849975.db2.gz YOKHLQYIPBVCTH-GWCFXTLKSA-N 2 1 277.799 3.133 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205076890 812849984 /nfs/dbraw/zinc/84/99/84/812849984.db2.gz YOKHLQYIPBVCTH-GWCFXTLKSA-N 2 1 277.799 3.133 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@H]([NH3+])CC1)c1ccccc1 ZINC001205094437 812859536 /nfs/dbraw/zinc/85/95/36/812859536.db2.gz LWRPXZLGMHXZKI-MRXNPFEDSA-N 2 1 260.425 3.168 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001205095491 812860258 /nfs/dbraw/zinc/86/02/58/812860258.db2.gz YFIZSDQKQNNMNJ-ZDUSSCGKSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001205095491 812860268 /nfs/dbraw/zinc/86/02/68/812860268.db2.gz YFIZSDQKQNNMNJ-ZDUSSCGKSA-N 2 1 286.341 3.061 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205101883 812866570 /nfs/dbraw/zinc/86/65/70/812866570.db2.gz NBUKHMQXBKHANM-MRXNPFEDSA-N 2 1 276.424 3.035 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124655 812877780 /nfs/dbraw/zinc/87/77/80/812877780.db2.gz XFWYANHTXWEGMU-OAHLLOKOSA-N 2 1 276.424 3.177 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205151341 812889443 /nfs/dbraw/zinc/88/94/43/812889443.db2.gz SNFVEUONUKPQMN-WDEREUQCSA-N 2 1 284.856 3.089 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205151341 812889445 /nfs/dbraw/zinc/88/94/45/812889445.db2.gz SNFVEUONUKPQMN-WDEREUQCSA-N 2 1 284.856 3.089 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)Cc2ccccc21 ZINC001205164745 812896170 /nfs/dbraw/zinc/89/61/70/812896170.db2.gz RUWPKDWCEBQSFV-AWEZNQCLSA-N 2 1 266.388 3.265 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205211968 812909500 /nfs/dbraw/zinc/90/95/00/812909500.db2.gz WZQJZMSZBZVYQX-LIMHQNJXSA-N 2 1 282.472 3.079 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2ccc(F)cc2Cl)CC1 ZINC001205257943 812918440 /nfs/dbraw/zinc/91/84/40/812918440.db2.gz ZEZRGDOYNFXCBT-HNNXBMFYSA-N 2 1 284.806 3.225 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001205257453 812918910 /nfs/dbraw/zinc/91/89/10/812918910.db2.gz VOFSQWIKHMHOIC-ARFHVFGLSA-N 2 1 250.430 3.182 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2cccc(Cl)c2)CC1 ZINC001205257963 812919003 /nfs/dbraw/zinc/91/90/03/812919003.db2.gz ZMXWLJAWOMUSDZ-MRXNPFEDSA-N 2 1 280.843 3.476 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001205257155 812919441 /nfs/dbraw/zinc/91/94/41/812919441.db2.gz SUKUPCJOSAKVMP-MRXNPFEDSA-N 2 1 280.843 3.476 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264775 812922064 /nfs/dbraw/zinc/92/20/64/812922064.db2.gz MEHJWZCUMCFBNC-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001205263868 812922321 /nfs/dbraw/zinc/92/23/21/812922321.db2.gz DIXSSTMOLDZVLS-AWEZNQCLSA-N 2 1 286.341 3.409 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001205263868 812922324 /nfs/dbraw/zinc/92/23/24/812922324.db2.gz DIXSSTMOLDZVLS-AWEZNQCLSA-N 2 1 286.341 3.409 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273050 812924536 /nfs/dbraw/zinc/92/45/36/812924536.db2.gz CWQCJZWUNNPGCF-KRWDZBQOSA-N 2 1 276.424 3.097 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC001205288033 812932030 /nfs/dbraw/zinc/93/20/30/812932030.db2.gz FTALNRONWBKNNR-MRXNPFEDSA-N 2 1 258.365 3.136 20 0 CGADMP Cc1nc2cc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)ccc2s1 ZINC001205287733 812932233 /nfs/dbraw/zinc/93/22/33/812932233.db2.gz BFRIWZPUKGWSHN-MRXNPFEDSA-N 2 1 289.448 3.308 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205289077 812932996 /nfs/dbraw/zinc/93/29/96/812932996.db2.gz SHSQCGYARMJEHZ-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205295879 812935833 /nfs/dbraw/zinc/93/58/33/812935833.db2.gz BXCJYNIOVBHDDJ-MRXNPFEDSA-N 2 1 263.429 3.016 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)C[C@H]1C[NH3+] ZINC001205297048 812937297 /nfs/dbraw/zinc/93/72/97/812937297.db2.gz XWNLLGLTPOIUGQ-UKRRQHHQSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC001205303393 812940894 /nfs/dbraw/zinc/94/08/94/812940894.db2.gz DORNOGFLEMZAPY-GOEBONIOSA-N 2 1 290.451 3.281 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303956 812942299 /nfs/dbraw/zinc/94/22/99/812942299.db2.gz LRFTYBUDFRGIKC-AAEUAGOBSA-N 2 1 289.398 3.032 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC001205303630 812942323 /nfs/dbraw/zinc/94/23/23/812942323.db2.gz IWZJAGMSTXQAKJ-ZBFHGGJFSA-N 2 1 274.452 3.401 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205304246 812942569 /nfs/dbraw/zinc/94/25/69/812942569.db2.gz NHMYXIFPTGAIPI-DOTOQJQBSA-N 2 1 290.451 3.282 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C[C@H]1C[NH3+] ZINC001205304049 812942577 /nfs/dbraw/zinc/94/25/77/812942577.db2.gz NGQNDSVMEVCROH-NWDGAFQWSA-N 2 1 291.826 3.238 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)C[C@H]1C[NH3+] ZINC001205315350 812947539 /nfs/dbraw/zinc/94/75/39/812947539.db2.gz FDOIYZSNWSPQMA-DGCLKSJQSA-N 2 1 291.826 3.238 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205545519 812999397 /nfs/dbraw/zinc/99/93/97/812999397.db2.gz IVAFQKFMBAHSTG-HNNXBMFYSA-N 2 1 282.428 3.061 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205560011 813002606 /nfs/dbraw/zinc/00/26/06/813002606.db2.gz YFEAPFRPRDPEMR-QGZVFWFLSA-N 2 1 294.414 3.047 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)CC[C@@H]1C[NH3+] ZINC001205602223 813017251 /nfs/dbraw/zinc/01/72/51/813017251.db2.gz HTCKYODKOCDENL-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC001205604746 813021632 /nfs/dbraw/zinc/02/16/32/813021632.db2.gz WONGTLNHBJRBJV-QWHCGFSZSA-N 2 1 266.816 3.147 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205616253 813027029 /nfs/dbraw/zinc/02/70/29/813027029.db2.gz DXQQLOGYPAGKGK-HZPDHXFCSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC001205615768 813027559 /nfs/dbraw/zinc/02/75/59/813027559.db2.gz AVROOVPSMKYBMQ-QWHCGFSZSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)CC[C@H]1C[NH3+] ZINC001205618177 813029902 /nfs/dbraw/zinc/02/99/02/813029902.db2.gz SHXKWGOEPAHGBB-STQMWFEESA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)CC[C@H]1C[NH3+] ZINC001205627233 813031633 /nfs/dbraw/zinc/03/16/33/813031633.db2.gz OGHKPSXTKKCMRU-CABCVRRESA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205625985 813031917 /nfs/dbraw/zinc/03/19/17/813031917.db2.gz DJSLSUHCECHYTG-CXAGYDPISA-N 2 1 274.452 3.419 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)CC[C@H]1C[NH3+] ZINC001205626864 813032040 /nfs/dbraw/zinc/03/20/40/813032040.db2.gz JXVRXEPLHCKTQB-ZBFHGGJFSA-N 2 1 272.436 3.371 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2coc3ccccc23)CC[C@@H]1C[NH3+] ZINC001205625268 813032452 /nfs/dbraw/zinc/03/24/52/813032452.db2.gz AQJRCBRHMOWLSU-ZIAGYGMSSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205638476 813036965 /nfs/dbraw/zinc/03/69/65/813036965.db2.gz OKOUQKOUJXXLCM-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205651838 813043083 /nfs/dbraw/zinc/04/30/83/813043083.db2.gz KMXAPIPNHHOVMK-KGLIPLIRSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001205803690 813083295 /nfs/dbraw/zinc/08/32/95/813083295.db2.gz ITZAIDRTTSVJNE-RDTXWAMCSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001205803690 813083301 /nfs/dbraw/zinc/08/33/01/813083301.db2.gz ITZAIDRTTSVJNE-RDTXWAMCSA-N 2 1 268.404 3.399 20 0 CGADMP Cc1cnccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001205850476 813107068 /nfs/dbraw/zinc/10/70/68/813107068.db2.gz JMSUOMPLEIEZLG-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cnccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001205850476 813107071 /nfs/dbraw/zinc/10/70/71/813107071.db2.gz JMSUOMPLEIEZLG-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)nc1 ZINC001205901578 813122435 /nfs/dbraw/zinc/12/24/35/813122435.db2.gz DIHCQIZWHGKEME-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)ccc2c1 ZINC001205901355 813123294 /nfs/dbraw/zinc/12/32/94/813123294.db2.gz COGNAFHWOCHXOH-ZBFHGGJFSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001205904159 813126368 /nfs/dbraw/zinc/12/63/68/813126368.db2.gz SKWTWFZLTMLOOT-ZFWWWQNUSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001205905203 813127779 /nfs/dbraw/zinc/12/77/79/813127779.db2.gz ZIWXAYZQNZDRKW-NEPJUHHUSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001205905203 813127783 /nfs/dbraw/zinc/12/77/83/813127783.db2.gz ZIWXAYZQNZDRKW-NEPJUHHUSA-N 2 1 286.341 3.265 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904876 813128438 /nfs/dbraw/zinc/12/84/38/813128438.db2.gz XPISJZQCIPEBDQ-RDJZCZTQSA-N 2 1 290.451 3.425 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205913117 813129097 /nfs/dbraw/zinc/12/90/97/813129097.db2.gz HDHJDASTGUWVDG-PBHICJAKSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cncc(-c2ccccc2)c1 ZINC001205912443 813129500 /nfs/dbraw/zinc/12/95/00/813129500.db2.gz AKCIQWJCBLEQPX-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)n1 ZINC001205915811 813131409 /nfs/dbraw/zinc/13/14/09/813131409.db2.gz QQSCRDQEHXKBAH-DOTOQJQBSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c2ccoc2ccc1F ZINC001205922960 813134494 /nfs/dbraw/zinc/13/44/94/813134494.db2.gz FLOIXXSMOPESSK-VXGBXAGGSA-N 2 1 276.355 3.131 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c2ccoc2ccc1F ZINC001205922960 813134497 /nfs/dbraw/zinc/13/44/97/813134497.db2.gz FLOIXXSMOPESSK-VXGBXAGGSA-N 2 1 276.355 3.131 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)CC1 ZINC001205930819 813138260 /nfs/dbraw/zinc/13/82/60/813138260.db2.gz CEANUSQIFRLTAP-QGZVFWFLSA-N 2 1 287.451 3.196 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205939842 813142104 /nfs/dbraw/zinc/14/21/04/813142104.db2.gz UNKYVIHRSQUUJO-KRWDZBQOSA-N 2 1 258.409 3.267 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205939842 813142109 /nfs/dbraw/zinc/14/21/09/813142109.db2.gz UNKYVIHRSQUUJO-KRWDZBQOSA-N 2 1 258.409 3.267 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC001205982605 813151276 /nfs/dbraw/zinc/15/12/76/813151276.db2.gz MOGGEKKSNAKGDN-VYDXJSESSA-N 2 1 260.425 3.097 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC001205985596 813152850 /nfs/dbraw/zinc/15/28/50/813152850.db2.gz YSZOQTOAULLINE-CVEARBPZSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC001205993048 813155326 /nfs/dbraw/zinc/15/53/26/813155326.db2.gz GVDXCGUVDLYZQC-CABCVRRESA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205995719 813156320 /nfs/dbraw/zinc/15/63/20/813156320.db2.gz PRMWDVLQHQZLGT-GXTWGEPZSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCC[C@@H]1C[NH3+] ZINC001205994672 813156846 /nfs/dbraw/zinc/15/68/46/813156846.db2.gz LSWRHKJSAZOMRJ-RHSMWYFYSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCC[C@H]1C[NH3+] ZINC001205995784 813157301 /nfs/dbraw/zinc/15/73/01/813157301.db2.gz QHOIEHOBSIJHLN-GJZGRUSLSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205994691 813157478 /nfs/dbraw/zinc/15/74/78/813157478.db2.gz LVJJIANVBFXLLR-ZFWWWQNUSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ncsc32)CCC[C@@H]1C[NH3+] ZINC001206013760 813164775 /nfs/dbraw/zinc/16/47/75/813164775.db2.gz UDLVWOSMNDRBMI-QWHCGFSZSA-N 2 1 289.448 3.103 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206036114 813175156 /nfs/dbraw/zinc/17/51/56/813175156.db2.gz GTMMFSKCZASZAW-KBPBESRZSA-N 2 1 280.843 3.455 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206036834 813175914 /nfs/dbraw/zinc/17/59/14/813175914.db2.gz RGFDXLMQDFHHAT-HOTGVXAUSA-N 2 1 290.451 3.201 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)CC[C@H]1F ZINC001206154121 813216343 /nfs/dbraw/zinc/21/63/43/813216343.db2.gz GQORKTCZAXUKEI-CKMBUZLOSA-N 2 1 294.458 3.354 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)CC[C@H]1F ZINC001206154121 813216346 /nfs/dbraw/zinc/21/63/46/813216346.db2.gz GQORKTCZAXUKEI-CKMBUZLOSA-N 2 1 294.458 3.354 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1)c1ccccc1 ZINC001206157378 813218367 /nfs/dbraw/zinc/21/83/67/813218367.db2.gz YGYZVDCUXIKBKK-JKSUJKDBSA-N 2 1 278.415 3.116 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1)c1ccccc1 ZINC001206157378 813218370 /nfs/dbraw/zinc/21/83/70/813218370.db2.gz YGYZVDCUXIKBKK-JKSUJKDBSA-N 2 1 278.415 3.116 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206164834 813220894 /nfs/dbraw/zinc/22/08/94/813220894.db2.gz LNTFAZRHCFHYBG-CVEARBPZSA-N 2 1 278.415 3.245 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)c1C ZINC001206182602 813229960 /nfs/dbraw/zinc/22/99/60/813229960.db2.gz CCCXUOLCGOSZFL-ZWKOTPCHSA-N 2 1 292.442 3.490 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)c1C ZINC001206182602 813229965 /nfs/dbraw/zinc/22/99/65/813229965.db2.gz CCCXUOLCGOSZFL-ZWKOTPCHSA-N 2 1 292.442 3.490 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC[C@H]1F ZINC001206184968 813230925 /nfs/dbraw/zinc/23/09/25/813230925.db2.gz KEYDRYXQOQGESO-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC[C@H]1F ZINC001206184968 813230928 /nfs/dbraw/zinc/23/09/28/813230928.db2.gz KEYDRYXQOQGESO-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206183196 813230991 /nfs/dbraw/zinc/23/09/91/813230991.db2.gz GCAUHYVJATWDQD-HZPDHXFCSA-N 2 1 264.388 3.071 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206183196 813230994 /nfs/dbraw/zinc/23/09/94/813230994.db2.gz GCAUHYVJATWDQD-HZPDHXFCSA-N 2 1 264.388 3.071 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)CC[C@H]1F ZINC001206199735 813236514 /nfs/dbraw/zinc/23/65/14/813236514.db2.gz PLZUDUCPKHVVDQ-IAGOWNOFSA-N 2 1 290.357 3.240 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)CC[C@@H]1F ZINC001206199734 813236608 /nfs/dbraw/zinc/23/66/08/813236608.db2.gz PLZUDUCPKHVVDQ-DLBZAZTESA-N 2 1 290.357 3.240 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1OC(C)C ZINC001206197771 813237004 /nfs/dbraw/zinc/23/70/04/813237004.db2.gz JFXXHNOWVLSUPA-JKSUJKDBSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206214165 813244177 /nfs/dbraw/zinc/24/41/77/813244177.db2.gz XMJCAEJSJDMGML-LSDHHAIUSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206214165 813244180 /nfs/dbraw/zinc/24/41/80/813244180.db2.gz XMJCAEJSJDMGML-LSDHHAIUSA-N 2 1 284.806 3.218 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1csc2ccccc12 ZINC001206263451 813261990 /nfs/dbraw/zinc/26/19/90/813261990.db2.gz XYHYADPQFZTOMP-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1csc2ccccc12 ZINC001206263451 813261995 /nfs/dbraw/zinc/26/19/95/813261995.db2.gz XYHYADPQFZTOMP-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001206263081 813262505 /nfs/dbraw/zinc/26/25/05/813262505.db2.gz NJFBZDIKLPOJOJ-HNNXBMFYSA-N 2 1 296.414 3.243 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001206263081 813262508 /nfs/dbraw/zinc/26/25/08/813262508.db2.gz NJFBZDIKLPOJOJ-HNNXBMFYSA-N 2 1 296.414 3.243 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001206276030 813267166 /nfs/dbraw/zinc/26/71/66/813267166.db2.gz ANUVKSKRGVKABZ-MRXNPFEDSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001206276757 813267477 /nfs/dbraw/zinc/26/74/77/813267477.db2.gz IFDGFZIZBZHVFV-AWEZNQCLSA-N 2 1 260.425 3.025 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001206276757 813267480 /nfs/dbraw/zinc/26/74/80/813267480.db2.gz IFDGFZIZBZHVFV-AWEZNQCLSA-N 2 1 260.425 3.025 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC001206297293 813276139 /nfs/dbraw/zinc/27/61/39/813276139.db2.gz XMNJFZOSDWLUJZ-AWEZNQCLSA-N 2 1 274.399 3.263 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001206296874 813276280 /nfs/dbraw/zinc/27/62/80/813276280.db2.gz VGOMALXIYHOLNC-INIZCTEOSA-N 2 1 252.446 3.408 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206304735 813281199 /nfs/dbraw/zinc/28/11/99/813281199.db2.gz OUFGRLDIYJQFBA-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cccnc3c2)CC1 ZINC001206305405 813281586 /nfs/dbraw/zinc/28/15/86/813281586.db2.gz YLPVOXGCTUFGBM-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304915 813281915 /nfs/dbraw/zinc/28/19/15/813281915.db2.gz RHFDGWMHDMIFQQ-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311490 813285008 /nfs/dbraw/zinc/28/50/08/813285008.db2.gz PYLUNBJHVGZESE-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc(F)c1F ZINC001206324828 813289048 /nfs/dbraw/zinc/28/90/48/813289048.db2.gz DPVKEKXTROTBOM-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206324880 813290270 /nfs/dbraw/zinc/29/02/70/813290270.db2.gz FHTFIWYZOYGFCJ-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206363150 813304294 /nfs/dbraw/zinc/30/42/94/813304294.db2.gz VEVBKCSCGQLTNX-KRWDZBQOSA-N 2 1 278.415 3.463 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206363150 813304297 /nfs/dbraw/zinc/30/42/97/813304297.db2.gz VEVBKCSCGQLTNX-KRWDZBQOSA-N 2 1 278.415 3.463 20 0 CGADMP C[C@]1(F)CCCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001206405607 813315413 /nfs/dbraw/zinc/31/54/13/813315413.db2.gz QQUOJXBHYYYBDD-KRWDZBQOSA-N 2 1 276.399 3.046 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc21 ZINC001206550115 813348502 /nfs/dbraw/zinc/34/85/02/813348502.db2.gz VKNGRSYUCSKABW-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001206550207 813349468 /nfs/dbraw/zinc/34/94/68/813349468.db2.gz XMXNFOQJPQICKK-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001206622875 813376925 /nfs/dbraw/zinc/37/69/25/813376925.db2.gz IGNZPRJEDDKLSW-KRWDZBQOSA-N 2 1 295.430 3.309 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@H](C[NH3+])C3)cccc2n1 ZINC001206649276 813387786 /nfs/dbraw/zinc/38/77/86/813387786.db2.gz SHWNOYXGADRILR-OAHLLOKOSA-N 2 1 283.419 3.104 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C)cc1OC ZINC001206782662 813435847 /nfs/dbraw/zinc/43/58/47/813435847.db2.gz DLOSSGZVCVVNMA-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001207283254 813533903 /nfs/dbraw/zinc/53/39/03/813533903.db2.gz VVPUSWPITKBKNR-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001207283254 813533906 /nfs/dbraw/zinc/53/39/06/813533906.db2.gz VVPUSWPITKBKNR-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001207282617 813534380 /nfs/dbraw/zinc/53/43/80/813534380.db2.gz MCYMWCLALAVXPK-HNNXBMFYSA-N 2 1 278.415 3.203 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001207285846 813536192 /nfs/dbraw/zinc/53/61/92/813536192.db2.gz PEGINVNHCDGRBJ-UHFFFAOYSA-N 2 1 278.484 3.475 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H]2CCOC(C)(C)C2)CC1 ZINC001207370366 813553777 /nfs/dbraw/zinc/55/37/77/813553777.db2.gz HYUXITGBBIWXRG-INIZCTEOSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](CCc3cccc(Cl)c3)C[C@H]2C1 ZINC001207425455 813562076 /nfs/dbraw/zinc/56/20/76/813562076.db2.gz MTXKLEUANXLNFG-HZPDHXFCSA-N 2 1 292.854 3.156 20 0 CGADMP C[C@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C[C@H]1C ZINC001207479954 813573099 /nfs/dbraw/zinc/57/30/99/813573099.db2.gz QQSUEQDLGIQKBH-LSDHHAIUSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@H+](CCCc1ccc(OC)cc1)CCC[NH+](C)C ZINC001207585603 813601988 /nfs/dbraw/zinc/60/19/88/813601988.db2.gz VKZRPQLAMNHSNJ-UHFFFAOYSA-N 2 1 292.467 3.292 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001208113441 813695760 /nfs/dbraw/zinc/69/57/60/813695760.db2.gz IQVMKYOUTPRRFC-CVEARBPZSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)CCCC1 ZINC001208182387 813733811 /nfs/dbraw/zinc/73/38/11/813733811.db2.gz OSPXXBPFQQSDSK-CYBMUJFWSA-N 2 1 292.389 3.178 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2c2ccncc2)CCCC1 ZINC001208190531 813736926 /nfs/dbraw/zinc/73/69/26/813736926.db2.gz GBBFLAWSEHZERC-KRWDZBQOSA-N 2 1 287.451 3.341 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001208600394 813771546 /nfs/dbraw/zinc/77/15/46/813771546.db2.gz QJTHATVPPQLWQU-MRXNPFEDSA-N 2 1 290.426 3.347 20 0 CGADMP CC[N@H+](Cc1cccs1)CC1CC[NH+](CC)CC1 ZINC001208601296 813771560 /nfs/dbraw/zinc/77/15/60/813771560.db2.gz MIECPIPSECPWOB-UHFFFAOYSA-N 2 1 266.454 3.302 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3cccs3)CC2)C1 ZINC001208608312 813774544 /nfs/dbraw/zinc/77/45/44/813774544.db2.gz QBFCEFUWCZFHTI-CQSZACIVSA-N 2 1 278.465 3.269 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208612087 813775666 /nfs/dbraw/zinc/77/56/66/813775666.db2.gz ANILYHGZMPBMQK-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208612087 813775671 /nfs/dbraw/zinc/77/56/71/813775671.db2.gz ANILYHGZMPBMQK-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208612087 813775673 /nfs/dbraw/zinc/77/56/73/813775673.db2.gz ANILYHGZMPBMQK-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208612087 813775677 /nfs/dbraw/zinc/77/56/77/813775677.db2.gz ANILYHGZMPBMQK-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208742001 813833515 /nfs/dbraw/zinc/83/35/15/813833515.db2.gz MDDLITQNXHRYQF-UHFFFAOYSA-N 2 1 292.854 3.441 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208742001 813833521 /nfs/dbraw/zinc/83/35/21/813833521.db2.gz MDDLITQNXHRYQF-UHFFFAOYSA-N 2 1 292.854 3.441 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208873768 813878018 /nfs/dbraw/zinc/87/80/18/813878018.db2.gz DKRHZWCELMXTPC-UHFFFAOYSA-N 2 1 289.810 3.027 20 0 CGADMP Clc1ccccc1CCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208873768 813878025 /nfs/dbraw/zinc/87/80/25/813878025.db2.gz DKRHZWCELMXTPC-UHFFFAOYSA-N 2 1 289.810 3.027 20 0 CGADMP CCC(=O)C(C)(C)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208919823 813898760 /nfs/dbraw/zinc/89/87/60/813898760.db2.gz FGJHRQNTODMTIW-JKSUJKDBSA-N 2 1 294.483 3.331 20 0 CGADMP CCC(=O)C(C)(C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208919823 813898769 /nfs/dbraw/zinc/89/87/69/813898769.db2.gz FGJHRQNTODMTIW-JKSUJKDBSA-N 2 1 294.483 3.331 20 0 CGADMP CCC(=O)C(C)(C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208919823 813898778 /nfs/dbraw/zinc/89/87/78/813898778.db2.gz FGJHRQNTODMTIW-JKSUJKDBSA-N 2 1 294.483 3.331 20 0 CGADMP CCC(=O)C(C)(C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001208919823 813898791 /nfs/dbraw/zinc/89/87/91/813898791.db2.gz FGJHRQNTODMTIW-JKSUJKDBSA-N 2 1 294.483 3.331 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC4(CCC4)C3)C2)cc1 ZINC001208930441 813903931 /nfs/dbraw/zinc/90/39/31/813903931.db2.gz BEVYQNJDSNMHFA-SFHVURJKSA-N 2 1 284.447 3.385 20 0 CGADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208952885 813910953 /nfs/dbraw/zinc/91/09/53/813910953.db2.gz WPCJEPXMIWEWJH-MRXNPFEDSA-N 2 1 260.425 3.239 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208952885 813910958 /nfs/dbraw/zinc/91/09/58/813910958.db2.gz WPCJEPXMIWEWJH-MRXNPFEDSA-N 2 1 260.425 3.239 20 0 CGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208952885 813910964 /nfs/dbraw/zinc/91/09/64/813910964.db2.gz WPCJEPXMIWEWJH-MRXNPFEDSA-N 2 1 260.425 3.239 20 0 CGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208952885 813910968 /nfs/dbraw/zinc/91/09/68/813910968.db2.gz WPCJEPXMIWEWJH-MRXNPFEDSA-N 2 1 260.425 3.239 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209422853 814024300 /nfs/dbraw/zinc/02/43/00/814024300.db2.gz YUINEPFXBXHUJL-YJBOKZPZSA-N 2 1 284.447 3.165 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209422853 814024306 /nfs/dbraw/zinc/02/43/06/814024306.db2.gz YUINEPFXBXHUJL-YJBOKZPZSA-N 2 1 284.447 3.165 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209429944 814030663 /nfs/dbraw/zinc/03/06/63/814030663.db2.gz IDVFBTVQTHQMSV-HOCLYGCPSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209429944 814030668 /nfs/dbraw/zinc/03/06/68/814030668.db2.gz IDVFBTVQTHQMSV-HOCLYGCPSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@]1(F)CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449347 814048592 /nfs/dbraw/zinc/04/85/92/814048592.db2.gz GSVIITNHMUZNJY-HNNXBMFYSA-N 2 1 256.409 3.077 20 0 CGADMP C[C@]1(F)CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449347 814048594 /nfs/dbraw/zinc/04/85/94/814048594.db2.gz GSVIITNHMUZNJY-HNNXBMFYSA-N 2 1 256.409 3.077 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209734469 814123921 /nfs/dbraw/zinc/12/39/21/814123921.db2.gz QLHCDMXMTZCVPA-KRWDZBQOSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209734469 814123928 /nfs/dbraw/zinc/12/39/28/814123928.db2.gz QLHCDMXMTZCVPA-KRWDZBQOSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210520114 814506680 /nfs/dbraw/zinc/50/66/80/814506680.db2.gz XEBXLIRMCUUKBZ-INIZCTEOSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210520114 814506685 /nfs/dbraw/zinc/50/66/85/814506685.db2.gz XEBXLIRMCUUKBZ-INIZCTEOSA-N 2 1 290.451 3.274 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2o1 ZINC001222148749 816359561 /nfs/dbraw/zinc/35/95/61/816359561.db2.gz SHSSDQIYFIYVIC-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP c1cc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2o1 ZINC001222148749 816359567 /nfs/dbraw/zinc/35/95/67/816359567.db2.gz SHSSDQIYFIYVIC-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222147859 816359735 /nfs/dbraw/zinc/35/97/35/816359735.db2.gz CKWMBZDWJWSTHC-IBGZPJMESA-N 2 1 286.463 3.461 20 0 CGADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2cccccc1-2 ZINC001222154424 816362425 /nfs/dbraw/zinc/36/24/25/816362425.db2.gz LODQRUKKEJBIDF-LJQANCHMSA-N 2 1 280.415 3.367 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC001222154758 816363055 /nfs/dbraw/zinc/36/30/55/816363055.db2.gz QINCCLOZCSHCRE-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154901 816363220 /nfs/dbraw/zinc/36/32/20/816363220.db2.gz SLYTWQJDQMYPSW-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154901 816363224 /nfs/dbraw/zinc/36/32/24/816363224.db2.gz SLYTWQJDQMYPSW-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191065 816371967 /nfs/dbraw/zinc/37/19/67/816371967.db2.gz IRUQLKKVLYDKDX-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191065 816371974 /nfs/dbraw/zinc/37/19/74/816371974.db2.gz IRUQLKKVLYDKDX-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222310348 816404672 /nfs/dbraw/zinc/40/46/72/816404672.db2.gz UASPDJRWMXODDA-INIZCTEOSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310350 816404874 /nfs/dbraw/zinc/40/48/74/816404874.db2.gz UASPDJRWMXODDA-MRXNPFEDSA-N 2 1 278.827 3.448 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)CC2)cc1 ZINC001222310404 816405168 /nfs/dbraw/zinc/40/51/68/816405168.db2.gz UUDIXVCOHFDOFA-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314049 816406237 /nfs/dbraw/zinc/40/62/37/816406237.db2.gz BBJRYSCAOPJVQN-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346819 816415397 /nfs/dbraw/zinc/41/53/97/816415397.db2.gz TWOIVNIBPBMHBQ-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346819 816415402 /nfs/dbraw/zinc/41/54/02/816415402.db2.gz TWOIVNIBPBMHBQ-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCCC2(CCCC2)C1 ZINC001222400868 816433793 /nfs/dbraw/zinc/43/37/93/816433793.db2.gz LRVGNMMVFLDFOH-QGZVFWFLSA-N 2 1 272.436 3.213 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCCC2(CCCC2)C1 ZINC001222400868 816433800 /nfs/dbraw/zinc/43/38/00/816433800.db2.gz LRVGNMMVFLDFOH-QGZVFWFLSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222470543 816452055 /nfs/dbraw/zinc/45/20/55/816452055.db2.gz GAHARIFXURQEMU-LJQANCHMSA-N 2 1 280.415 3.476 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222470543 816452061 /nfs/dbraw/zinc/45/20/61/816452061.db2.gz GAHARIFXURQEMU-LJQANCHMSA-N 2 1 280.415 3.476 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222616033 816478747 /nfs/dbraw/zinc/47/87/47/816478747.db2.gz VZTMYBJZIFWQEM-ZBHMHGNTSA-N 2 1 288.479 3.277 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001222629821 816483343 /nfs/dbraw/zinc/48/33/43/816483343.db2.gz QLSCMWRNXONOLU-HDICACEKSA-N 2 1 272.436 3.071 20 0 CGADMP C[NH+](C)CCCCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224991035 816924389 /nfs/dbraw/zinc/92/43/89/816924389.db2.gz MANFDYPIURYNDE-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(C2=CC[NH2+]C2)nc1 ZINC001243108819 823250006 /nfs/dbraw/zinc/25/00/06/823250006.db2.gz QNRFLKSPUDQWAG-KRWDZBQOSA-N 2 1 271.408 3.005 20 0 CGADMP C[NH+](C)Cc1c(O[C@@H]2CCC[N@@H+](C)C2)ccc2ccccc21 ZINC001228440648 817906417 /nfs/dbraw/zinc/90/64/17/817906417.db2.gz GOEZGXRGAISZRT-MRXNPFEDSA-N 2 1 298.430 3.374 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001231780387 818171802 /nfs/dbraw/zinc/17/18/02/818171802.db2.gz QFUNFCWLOCWHSV-MOPGFXCFSA-N 2 1 286.463 3.413 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001231780387 818171805 /nfs/dbraw/zinc/17/18/05/818171805.db2.gz QFUNFCWLOCWHSV-MOPGFXCFSA-N 2 1 286.463 3.413 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001231780387 818171809 /nfs/dbraw/zinc/17/18/09/818171809.db2.gz QFUNFCWLOCWHSV-MOPGFXCFSA-N 2 1 286.463 3.413 20 0 CGADMP C[N@@H+](CCc1cccs1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014244 818232036 /nfs/dbraw/zinc/23/20/36/818232036.db2.gz LYYIRPZXVKPAFN-UHFFFAOYSA-N 2 1 271.389 3.299 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCCC2(CCC2)C1 ZINC001232015079 818232291 /nfs/dbraw/zinc/23/22/91/818232291.db2.gz AFGGPOWWGHKXAT-UHFFFAOYSA-N 2 1 255.365 3.329 20 0 CGADMP C[N@H+](Cc1cccc2c1CCCC2)CC1CC[NH+](C)CC1 ZINC001232636457 818406940 /nfs/dbraw/zinc/40/69/40/818406940.db2.gz FCBCLWMUHBWFAV-UHFFFAOYSA-N 2 1 286.463 3.339 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001233249619 818552532 /nfs/dbraw/zinc/55/25/32/818552532.db2.gz CMBBDXXJOBBGJE-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP COc1cccc([C@@H]2CCCN2Cc2[nH]c(C)nc2C)c1 ZINC001234646029 818901526 /nfs/dbraw/zinc/90/15/26/818901526.db2.gz YQRDTFNMFGCNJT-KRWDZBQOSA-N 2 1 285.391 3.372 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016278 818978645 /nfs/dbraw/zinc/97/86/45/818978645.db2.gz FGAHQKHOJSUFGO-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016278 818978649 /nfs/dbraw/zinc/97/86/49/818978649.db2.gz FGAHQKHOJSUFGO-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP c1ccc(-c2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235023586 818979964 /nfs/dbraw/zinc/97/99/64/818979964.db2.gz DFEUKLKSYUIXGP-UHFFFAOYSA-N 2 1 278.399 3.149 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235023586 818979969 /nfs/dbraw/zinc/97/99/69/818979969.db2.gz DFEUKLKSYUIXGP-UHFFFAOYSA-N 2 1 278.399 3.149 20 0 CGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235031356 818984152 /nfs/dbraw/zinc/98/41/52/818984152.db2.gz FTARMEHIHSALCE-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235031356 818984157 /nfs/dbraw/zinc/98/41/57/818984157.db2.gz FTARMEHIHSALCE-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235034550 818984622 /nfs/dbraw/zinc/98/46/22/818984622.db2.gz ZYDQLKKLHZAQEN-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235034550 818984625 /nfs/dbraw/zinc/98/46/25/818984625.db2.gz ZYDQLKKLHZAQEN-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036261 818986595 /nfs/dbraw/zinc/98/65/95/818986595.db2.gz KEBORFIPDRASSK-GRFNRIFCSA-N 2 1 294.483 3.213 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)sc1C ZINC001235041263 818988477 /nfs/dbraw/zinc/98/84/77/818988477.db2.gz YGYVMOGTFKTDCK-MRXNPFEDSA-N 2 1 278.465 3.473 20 0 CGADMP Fc1ccccc1CCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040657 818989021 /nfs/dbraw/zinc/98/90/21/818989021.db2.gz MJHPZJFOCGXLCC-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235047728 818991408 /nfs/dbraw/zinc/99/14/08/818991408.db2.gz VSENPPQHYCECNA-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC001235065073 818992946 /nfs/dbraw/zinc/99/29/46/818992946.db2.gz JKIFBCXQCHHJDW-VQIMIIECSA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC001235065073 818992950 /nfs/dbraw/zinc/99/29/50/818992950.db2.gz JKIFBCXQCHHJDW-VQIMIIECSA-N 2 1 286.463 3.426 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072702 818995302 /nfs/dbraw/zinc/99/53/02/818995302.db2.gz LETVKKFEPBCBLY-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072702 818995305 /nfs/dbraw/zinc/99/53/05/818995305.db2.gz LETVKKFEPBCBLY-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001235109389 819005099 /nfs/dbraw/zinc/00/50/99/819005099.db2.gz CUWPPVFZIKXAEY-SFHVURJKSA-N 2 1 272.436 3.182 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001235109389 819005104 /nfs/dbraw/zinc/00/51/04/819005104.db2.gz CUWPPVFZIKXAEY-SFHVURJKSA-N 2 1 272.436 3.182 20 0 CGADMP c1ccc(CCCCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235112223 819006576 /nfs/dbraw/zinc/00/65/76/819006576.db2.gz YZLDAAZPVWWJGQ-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCCC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235112223 819006581 /nfs/dbraw/zinc/00/65/81/819006581.db2.gz YZLDAAZPVWWJGQ-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC23CC[NH2+]CC3)CC1 ZINC001235140799 819014771 /nfs/dbraw/zinc/01/47/71/819014771.db2.gz NWKMUBQJWATQHV-JKSUJKDBSA-N 2 1 262.441 3.197 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235140308 819015255 /nfs/dbraw/zinc/01/52/55/819015255.db2.gz ITZGAZGHRHECDA-UHFFFAOYSA-N 2 1 292.854 3.491 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235184425 819028182 /nfs/dbraw/zinc/02/81/82/819028182.db2.gz KWPYAUBKAZWOAN-SJORKVTESA-N 2 1 286.463 3.416 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001235186108 819028328 /nfs/dbraw/zinc/02/83/28/819028328.db2.gz CONQCSZDNAIMLY-JQHSSLGASA-N 2 1 294.442 3.485 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209305 819037849 /nfs/dbraw/zinc/03/78/49/819037849.db2.gz LWCBBOGIAUZVMC-ZACQAIPSSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209305 819037854 /nfs/dbraw/zinc/03/78/54/819037854.db2.gz LWCBBOGIAUZVMC-ZACQAIPSSA-N 2 1 264.457 3.443 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235241446 819046626 /nfs/dbraw/zinc/04/66/26/819046626.db2.gz VGFDZEHMYCBKCM-SJLPKXTDSA-N 2 1 266.388 3.153 20 0 CGADMP CCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248692 819048079 /nfs/dbraw/zinc/04/80/79/819048079.db2.gz YOUUNZJCSPXVDY-IAGOWNOFSA-N 2 1 258.409 3.008 20 0 CGADMP CCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248692 819048085 /nfs/dbraw/zinc/04/80/85/819048085.db2.gz YOUUNZJCSPXVDY-IAGOWNOFSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)CC(C)(C)C ZINC001235255666 819050944 /nfs/dbraw/zinc/05/09/44/819050944.db2.gz NRTLJRJZDDWCGU-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)CC(C)(C)C ZINC001235255666 819050950 /nfs/dbraw/zinc/05/09/50/819050950.db2.gz NRTLJRJZDDWCGU-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1Oc1ccccc1 ZINC001235254734 819051707 /nfs/dbraw/zinc/05/17/07/819051707.db2.gz KWOWXRDEAVXZFE-BQFCYCMXSA-N 2 1 294.398 3.400 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1Oc1ccccc1 ZINC001235254734 819051708 /nfs/dbraw/zinc/05/17/08/819051708.db2.gz KWOWXRDEAVXZFE-BQFCYCMXSA-N 2 1 294.398 3.400 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235262759 819056030 /nfs/dbraw/zinc/05/60/30/819056030.db2.gz SJMAQWHGUCLIFH-DOMZBBRYSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235262759 819056039 /nfs/dbraw/zinc/05/60/39/819056039.db2.gz SJMAQWHGUCLIFH-DOMZBBRYSA-N 2 1 272.417 3.003 20 0 CGADMP c1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264813 819057551 /nfs/dbraw/zinc/05/75/51/819057551.db2.gz YZYMNIOMAFDVMM-RTBURBONSA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264813 819057560 /nfs/dbraw/zinc/05/75/60/819057560.db2.gz YZYMNIOMAFDVMM-RTBURBONSA-N 2 1 278.399 3.147 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c(C)c1C ZINC001235264497 819058064 /nfs/dbraw/zinc/05/80/64/819058064.db2.gz YJLFETYRYDTQCM-FUHWJXTLSA-N 2 1 272.436 3.022 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c(C)c1C ZINC001235264497 819058074 /nfs/dbraw/zinc/05/80/74/819058074.db2.gz YJLFETYRYDTQCM-FUHWJXTLSA-N 2 1 272.436 3.022 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235340576 819071897 /nfs/dbraw/zinc/07/18/97/819071897.db2.gz KRKKZCZRGGYHFI-KRWDZBQOSA-N 2 1 272.436 3.071 20 0 CGADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](CC2CCC2)CC3)cc1 ZINC001235362808 819079633 /nfs/dbraw/zinc/07/96/33/819079633.db2.gz NVKCPVORPRLNPT-OALUTQOASA-N 2 1 284.447 3.040 20 0 CGADMP c1coc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235363272 819080547 /nfs/dbraw/zinc/08/05/47/819080547.db2.gz IXJANSDACSCJOL-IEBWSBKVSA-N 2 1 296.414 3.033 20 0 CGADMP c1coc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235363272 819080552 /nfs/dbraw/zinc/08/05/52/819080552.db2.gz IXJANSDACSCJOL-IEBWSBKVSA-N 2 1 296.414 3.033 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C1(C)C ZINC001235394208 819083679 /nfs/dbraw/zinc/08/36/79/819083679.db2.gz CHEGMMPMZJEQKO-XHSDSOJGSA-N 2 1 294.458 3.378 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235406895 819088007 /nfs/dbraw/zinc/08/80/07/819088007.db2.gz RITROZPYWVXYRQ-QZTJIDSGSA-N 2 1 288.410 3.088 20 0 CGADMP CCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426671 819092680 /nfs/dbraw/zinc/09/26/80/819092680.db2.gz PVTRFUKSFIQJMA-HOTGVXAUSA-N 2 1 252.446 3.278 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426630 819093318 /nfs/dbraw/zinc/09/33/18/819093318.db2.gz OSPAVKCZHORIJE-MYIWKSEUSA-N 2 1 250.430 3.054 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC001235424068 819093508 /nfs/dbraw/zinc/09/35/08/819093508.db2.gz JLFOIJUOOWCULC-HOTGVXAUSA-N 2 1 297.446 3.380 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235427357 819094301 /nfs/dbraw/zinc/09/43/01/819094301.db2.gz QZZFZVKGMQJGBM-LSDHHAIUSA-N 2 1 276.424 3.054 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428632 819094868 /nfs/dbraw/zinc/09/48/68/819094868.db2.gz OQULXRVFDIMFKY-PKOBYXMFSA-N 2 1 286.463 3.461 20 0 CGADMP CC1=CC[C@H](CC[N@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC001235433630 819095809 /nfs/dbraw/zinc/09/58/09/819095809.db2.gz MPGJKWFZUQACKP-MRXNPFEDSA-N 2 1 264.457 3.300 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@@H+](C)CCC[NH3+] ZINC001235435604 819098119 /nfs/dbraw/zinc/09/81/19/819098119.db2.gz SGILYJBPCWPZRG-UHFFFAOYSA-N 2 1 272.392 3.019 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+](C[C@@H]2CCC[NH2+]2)CC1 ZINC001235608609 819125715 /nfs/dbraw/zinc/12/57/15/819125715.db2.gz RPWAXKPESQHOHG-KRWDZBQOSA-N 2 1 284.447 3.027 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663107 819131654 /nfs/dbraw/zinc/13/16/54/819131654.db2.gz QRYSGYGCTBECRQ-GDBMZVCRSA-N 2 1 296.405 3.389 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663107 819131658 /nfs/dbraw/zinc/13/16/58/819131658.db2.gz QRYSGYGCTBECRQ-GDBMZVCRSA-N 2 1 296.405 3.389 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001235675120 819134925 /nfs/dbraw/zinc/13/49/25/819134925.db2.gz JCGHQGUESFMZAF-INIZCTEOSA-N 2 1 292.426 3.429 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001235674548 819135664 /nfs/dbraw/zinc/13/56/64/819135664.db2.gz UIWDPCSEOLCCCC-LLVKDONJSA-N 2 1 287.234 3.207 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001235674548 819135667 /nfs/dbraw/zinc/13/56/67/819135667.db2.gz UIWDPCSEOLCCCC-LLVKDONJSA-N 2 1 287.234 3.207 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC2(F)CC[NH2+]CC2)cc1 ZINC001235677273 819136776 /nfs/dbraw/zinc/13/67/76/819136776.db2.gz GBFFMJBOTLFQCE-MRXNPFEDSA-N 2 1 276.399 3.224 20 0 CGADMP Fc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001235680645 819139610 /nfs/dbraw/zinc/13/96/10/819139610.db2.gz VOBXFZYRBMUNQY-RHSMWYFYSA-N 2 1 276.399 3.352 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2ccc(Cl)c(F)c2F)CC1 ZINC001235680834 819140667 /nfs/dbraw/zinc/14/06/67/819140667.db2.gz XWASOZNVPGSOJO-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP c1cc2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2s1 ZINC001235712668 819148741 /nfs/dbraw/zinc/14/87/41/819148741.db2.gz FSGRJFBDOQKWEC-UHFFFAOYSA-N 2 1 272.417 3.087 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2s1 ZINC001235712668 819148744 /nfs/dbraw/zinc/14/87/44/819148744.db2.gz FSGRJFBDOQKWEC-UHFFFAOYSA-N 2 1 272.417 3.087 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235713517 819148792 /nfs/dbraw/zinc/14/87/92/819148792.db2.gz CKCJJAKLUQUHNS-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H]([NH3+])C[NH+]1CCC(c2ccc3ccccc3c2)CC1 ZINC001235715838 819150116 /nfs/dbraw/zinc/15/01/16/819150116.db2.gz ULZVNBANEZJQJS-AWEZNQCLSA-N 2 1 268.404 3.366 20 0 CGADMP Fc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001235715010 819150504 /nfs/dbraw/zinc/15/05/04/819150504.db2.gz NUAKVTQWQGAAQS-DLBZAZTESA-N 2 1 276.399 3.495 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717420 819150801 /nfs/dbraw/zinc/15/08/01/819150801.db2.gz FKHSWSCOZWBVST-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP Fc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235719770 819152142 /nfs/dbraw/zinc/15/21/42/819152142.db2.gz YNICTEUSWKSRAL-YOEHRIQHSA-N 2 1 276.399 3.352 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2cccc(C(C)C)c2)CC1 ZINC001235726965 819155419 /nfs/dbraw/zinc/15/54/19/819155419.db2.gz STELWHFSOBXOKJ-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP C[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2)CC(C)(C)C ZINC001235808406 819172124 /nfs/dbraw/zinc/17/21/24/819172124.db2.gz CUOSLPVBZGMTCW-XQLPTFJDSA-N 2 1 252.446 3.403 20 0 CGADMP Cc1nc(F)ccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001235814429 819174585 /nfs/dbraw/zinc/17/45/85/819174585.db2.gz FAJOBZMGZVJIKC-UHFFFAOYSA-N 2 1 293.430 3.081 20 0 CGADMP C[N@H+](Cc1ccccc1-c1cccs1)C[C@H]1CC[NH2+]C1 ZINC001235841739 819183186 /nfs/dbraw/zinc/18/31/86/819183186.db2.gz ILPHAXYJXLAIFE-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP c1c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)sc2c1CC[NH2+]C2 ZINC001235893875 819203685 /nfs/dbraw/zinc/20/36/85/819203685.db2.gz UMLHSZQUCSCOBP-DOMZBBRYSA-N 2 1 276.449 3.158 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001235925944 819224321 /nfs/dbraw/zinc/22/43/21/819224321.db2.gz SUSUMDFBIPKZSP-HNNXBMFYSA-N 2 1 270.376 3.260 20 0 CGADMP COc1ccc2sc(C[N@H+]3CCC[C@H]3CC[NH3+])cc2c1 ZINC001235925311 819224715 /nfs/dbraw/zinc/22/47/15/819224715.db2.gz HDFIWDQZZUPKJP-ZDUSSCGKSA-N 2 1 290.432 3.223 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@H]2CC[NH3+])C1(C)C ZINC001235925261 819224760 /nfs/dbraw/zinc/22/47/60/819224760.db2.gz NUMWYZCEGBOSBQ-GJZGRUSLSA-N 2 1 250.430 3.182 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc2ccccc21 ZINC001235925606 819225464 /nfs/dbraw/zinc/22/54/64/819225464.db2.gz XDIBRHNKOKLKGP-INIZCTEOSA-N 2 1 254.377 3.153 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c(C)c1Cl ZINC001235925650 819225510 /nfs/dbraw/zinc/22/55/10/819225510.db2.gz NNRMKQLWIXTQHU-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP Clc1ccc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235929788 819227335 /nfs/dbraw/zinc/22/73/35/819227335.db2.gz UBNKQHVXTJEOHY-STQMWFEESA-N 2 1 299.245 3.077 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939855 819233690 /nfs/dbraw/zinc/23/36/90/819233690.db2.gz QNDNELICCLFTQX-ZIAGYGMSSA-N 2 1 298.352 3.055 20 0 CGADMP [NH3+]CCCC[N@H+]1CCSC[C@H]1c1cccc(Cl)c1 ZINC001235946624 819236484 /nfs/dbraw/zinc/23/64/84/819236484.db2.gz NKHCMAMYJOOXPM-AWEZNQCLSA-N 2 1 284.856 3.169 20 0 CGADMP Fc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235949470 819240080 /nfs/dbraw/zinc/24/00/80/819240080.db2.gz MBQYMZKWRQXKMS-WBVHZDCISA-N 2 1 276.399 3.147 20 0 CGADMP C[N@@H+](Cc1cc2c(cccc2Cl)[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC001235950493 819241972 /nfs/dbraw/zinc/24/19/72/819241972.db2.gz ICJMWKPZSBUJHV-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1cc2c(cccc2Cl)[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC001235950493 819241979 /nfs/dbraw/zinc/24/19/79/819241979.db2.gz ICJMWKPZSBUJHV-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1C ZINC001235957007 819245279 /nfs/dbraw/zinc/24/52/79/819245279.db2.gz JJLVRZYXRZWUJP-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP CCC[N@@H+](Cc1cccc(Br)c1)C[C@H]([NH3+])CC ZINC001235962224 819251603 /nfs/dbraw/zinc/25/16/03/819251603.db2.gz IFTIWHCMYBYRLX-CQSZACIVSA-N 2 1 299.256 3.398 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958735 819245582 /nfs/dbraw/zinc/24/55/82/819245582.db2.gz CLRVMNAKLDTQNS-YWVIFJGQSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)c1Cl ZINC001235958047 819245925 /nfs/dbraw/zinc/24/59/25/819245925.db2.gz DDYVOZTUFHRTOQ-MIFYACCESA-N 2 1 278.827 3.126 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)c1Cl ZINC001235958047 819245930 /nfs/dbraw/zinc/24/59/30/819245930.db2.gz DDYVOZTUFHRTOQ-MIFYACCESA-N 2 1 278.827 3.126 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001235958740 819246435 /nfs/dbraw/zinc/24/64/35/819246435.db2.gz COZBGACVVQAGQF-BCDXTJNWSA-N 2 1 270.420 3.123 20 0 CGADMP CCC[N@H+](Cc1cccc(Br)c1)C[C@H]([NH3+])CC ZINC001235962224 819251609 /nfs/dbraw/zinc/25/16/09/819251609.db2.gz IFTIWHCMYBYRLX-CQSZACIVSA-N 2 1 299.256 3.398 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)c1C ZINC001235958766 819247003 /nfs/dbraw/zinc/24/70/03/819247003.db2.gz DQFQBQSGPKHFSI-IZZQQSIFSA-N 2 1 286.463 3.398 20 0 CGADMP [NH3+]Cc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC001235963974 819252687 /nfs/dbraw/zinc/25/26/87/819252687.db2.gz XJNXOODGAIRVGP-UHFFFAOYSA-N 2 1 278.399 3.435 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236047097 819285317 /nfs/dbraw/zinc/28/53/17/819285317.db2.gz KRGOIBFOMYZSEG-YPMHNXCESA-N 2 1 274.433 3.379 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236047097 819285320 /nfs/dbraw/zinc/28/53/20/819285320.db2.gz KRGOIBFOMYZSEG-YPMHNXCESA-N 2 1 274.433 3.379 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@@H](C)CCC=C(C)C)C1 ZINC001236065994 819298726 /nfs/dbraw/zinc/29/87/26/819298726.db2.gz FHNLJIIPIAAKQD-JKSUJKDBSA-N 2 1 252.446 3.300 20 0 CGADMP C[C@H]1C[N@@H+](CCCCC[NH3+])CCc2ccc(Cl)cc21 ZINC001236084496 819307266 /nfs/dbraw/zinc/30/72/66/819307266.db2.gz AQXRHSJFLMNZBX-ZDUSSCGKSA-N 2 1 280.843 3.431 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC001236093342 819312393 /nfs/dbraw/zinc/31/23/93/819312393.db2.gz LDBCRKHUQCSHDZ-ACJLOTCBSA-N 2 1 284.378 3.272 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC001236093342 819312398 /nfs/dbraw/zinc/31/23/98/819312398.db2.gz LDBCRKHUQCSHDZ-ACJLOTCBSA-N 2 1 284.378 3.272 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc3nc(Cl)ccc3c2)CCC[NH2+]1 ZINC001236100117 819317902 /nfs/dbraw/zinc/31/79/02/819317902.db2.gz FBAWHJURYNNYCM-LBPRGKRZSA-N 2 1 289.810 3.072 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3nc(Cl)ccc3c2)CCC[NH2+]1 ZINC001236100117 819317907 /nfs/dbraw/zinc/31/79/07/819317907.db2.gz FBAWHJURYNNYCM-LBPRGKRZSA-N 2 1 289.810 3.072 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108026 819323991 /nfs/dbraw/zinc/32/39/91/819323991.db2.gz HNHLCVUQOWLEQL-FGTMMUONSA-N 2 1 292.426 3.143 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236108026 819323996 /nfs/dbraw/zinc/32/39/96/819323996.db2.gz HNHLCVUQOWLEQL-FGTMMUONSA-N 2 1 292.426 3.143 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C(C)(C)Cc1ccccc1 ZINC001236155216 819348901 /nfs/dbraw/zinc/34/89/01/819348901.db2.gz HSUZBCHLVKRJQM-UHFFFAOYSA-N 2 1 262.441 3.459 20 0 CGADMP CCC[N@@H+](Cc1c[nH]c2cc(C)ccc12)C1CC[NH2+]CC1 ZINC001236182701 819358959 /nfs/dbraw/zinc/35/89/59/819358959.db2.gz TXDPXYVPCZOYQJ-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP CCC[N@@H+](Cc1cccc2c1ccn2C)C1CC[NH2+]CC1 ZINC001236181796 819360681 /nfs/dbraw/zinc/36/06/81/819360681.db2.gz GAWYTGWKGTUPMK-UHFFFAOYSA-N 2 1 285.435 3.142 20 0 CGADMP Cc1cccc2c(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c[nH]c21 ZINC001236210562 819372600 /nfs/dbraw/zinc/37/26/00/819372600.db2.gz DKVJJRXFSCVGDW-HOTGVXAUSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cccc2c(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c[nH]c21 ZINC001236210562 819372606 /nfs/dbraw/zinc/37/26/06/819372606.db2.gz DKVJJRXFSCVGDW-HOTGVXAUSA-N 2 1 271.408 3.178 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001236213822 819376698 /nfs/dbraw/zinc/37/66/98/819376698.db2.gz WXHFPPYIVKTXSR-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP C[N@H+](Cc1coc2ccc(F)cc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215212 819379117 /nfs/dbraw/zinc/37/91/17/819379117.db2.gz FWSFLGAESKLEQO-LSDHHAIUSA-N 2 1 276.355 3.274 20 0 CGADMP C[N@@H+](Cc1coc2ccc(F)cc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215212 819379125 /nfs/dbraw/zinc/37/91/25/819379125.db2.gz FWSFLGAESKLEQO-LSDHHAIUSA-N 2 1 276.355 3.274 20 0 CGADMP CSc1cc(C)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236217628 819382758 /nfs/dbraw/zinc/38/27/58/819382758.db2.gz QARRLDMIJPQUFU-JKSUJKDBSA-N 2 1 278.465 3.419 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236217628 819382765 /nfs/dbraw/zinc/38/27/65/819382765.db2.gz QARRLDMIJPQUFU-JKSUJKDBSA-N 2 1 278.465 3.419 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236216861 819382896 /nfs/dbraw/zinc/38/28/96/819382896.db2.gz LLZUYEOWRXUZPH-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236216861 819382901 /nfs/dbraw/zinc/38/29/01/819382901.db2.gz LLZUYEOWRXUZPH-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(C)c1F ZINC001236220023 819386109 /nfs/dbraw/zinc/38/61/09/819386109.db2.gz YCUHKBUIXKYYLJ-CABCVRRESA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(C)c1F ZINC001236220023 819386113 /nfs/dbraw/zinc/38/61/13/819386113.db2.gz YCUHKBUIXKYYLJ-CABCVRRESA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2(C)CC[NH2+]CC2)c(C)c1 ZINC001236221138 819388033 /nfs/dbraw/zinc/38/80/33/819388033.db2.gz AUHOWOAGTRURHN-UHFFFAOYSA-N 2 1 260.425 3.186 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C3(C)CC[NH2+]CC3)ccc2c1 ZINC001236221303 819388123 /nfs/dbraw/zinc/38/81/23/819388123.db2.gz CDKDQYDMMUQMPL-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP C[N@@H+](Cc1csc2ccccc12)C1(C)CC[NH2+]CC1 ZINC001236226625 819390480 /nfs/dbraw/zinc/39/04/80/819390480.db2.gz QEPMDESKMKSDID-UHFFFAOYSA-N 2 1 274.433 3.475 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285203 819412739 /nfs/dbraw/zinc/41/27/39/819412739.db2.gz CJXVNELQJTZVAC-UHFFFAOYSA-N 2 1 260.425 3.287 20 0 CGADMP COCC[N@H+](CC[C@H](C)CCC=C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236328276 819427146 /nfs/dbraw/zinc/42/71/46/819427146.db2.gz OGPRFASRVUPXGQ-QZTJIDSGSA-N 2 1 296.499 3.459 20 0 CGADMP COCC[N@@H+](CC[C@H](C)CCC=C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236328276 819427151 /nfs/dbraw/zinc/42/71/51/819427151.db2.gz OGPRFASRVUPXGQ-QZTJIDSGSA-N 2 1 296.499 3.459 20 0 CGADMP C[N@H+]1CC[C@H](c2ccc(-c3cccc4c3CC[NH2+]C4)cc2)C1 ZINC001236357886 819433103 /nfs/dbraw/zinc/43/31/03/819433103.db2.gz FMXFCOVRXRANMF-SFHVURJKSA-N 2 1 292.426 3.418 20 0 CGADMP CC[C@H](C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236370367 819439151 /nfs/dbraw/zinc/43/91/51/819439151.db2.gz DRIIPMBVPMOMDP-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236408463 819455434 /nfs/dbraw/zinc/45/54/34/819455434.db2.gz MUXAOJYHIVRIJV-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236408463 819455436 /nfs/dbraw/zinc/45/54/36/819455436.db2.gz MUXAOJYHIVRIJV-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CC[N@H+](Cc1ccc(OCC(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236409031 819456686 /nfs/dbraw/zinc/45/66/86/819456686.db2.gz RCEPLDAYKJGHTE-QGZVFWFLSA-N 2 1 290.451 3.153 20 0 CGADMP C[N@@H+](Cc1ccccc1-c1cccs1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409985 819457825 /nfs/dbraw/zinc/45/78/25/819457825.db2.gz BHYVMYOIWRLYPT-QLPKVWCKSA-N 2 1 284.428 3.065 20 0 CGADMP CCc1cc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)ccc1Cl ZINC001236410642 819457857 /nfs/dbraw/zinc/45/78/57/819457857.db2.gz ILYIQXWRQSPDTO-CQSZACIVSA-N 2 1 280.843 3.334 20 0 CGADMP COc1cccc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236411899 819458705 /nfs/dbraw/zinc/45/87/05/819458705.db2.gz QDOPPUXIOOKPOP-SJORKVTESA-N 2 1 288.435 3.017 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236418370 819464733 /nfs/dbraw/zinc/46/47/33/819464733.db2.gz HCIQEXINDGNODH-BMFZPTHFSA-N 2 1 278.827 3.127 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236418370 819464738 /nfs/dbraw/zinc/46/47/38/819464738.db2.gz HCIQEXINDGNODH-BMFZPTHFSA-N 2 1 278.827 3.127 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@](F)(C[NH3+])C2)c(C)c1C ZINC001236433652 819476458 /nfs/dbraw/zinc/47/64/58/819476458.db2.gz GDKLUNHJZZYZLL-KRWDZBQOSA-N 2 1 278.415 3.101 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@](F)(C[NH3+])C2)c(C)c1C ZINC001236433652 819476464 /nfs/dbraw/zinc/47/64/64/819476464.db2.gz GDKLUNHJZZYZLL-KRWDZBQOSA-N 2 1 278.415 3.101 20 0 CGADMP FC1(C[N@@H+](Cc2ccccc2)C2CCC2)CC[NH2+]CC1 ZINC001236441403 819480199 /nfs/dbraw/zinc/48/01/99/819480199.db2.gz JGFMBXKEWJINEV-UHFFFAOYSA-N 2 1 276.399 3.133 20 0 CGADMP c1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001236444191 819481581 /nfs/dbraw/zinc/48/15/81/819481581.db2.gz XKACSTFKRXQIAW-INIZCTEOSA-N 2 1 258.409 3.041 20 0 CGADMP COc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236468442 819490126 /nfs/dbraw/zinc/49/01/26/819490126.db2.gz NKPDEKUZVMSQPY-MRXNPFEDSA-N 2 1 290.451 3.274 20 0 CGADMP COc1cc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236468442 819490129 /nfs/dbraw/zinc/49/01/29/819490129.db2.gz NKPDEKUZVMSQPY-MRXNPFEDSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468538 819490221 /nfs/dbraw/zinc/49/02/21/819490221.db2.gz HSQYHTNKJZABCD-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468538 819490222 /nfs/dbraw/zinc/49/02/22/819490222.db2.gz HSQYHTNKJZABCD-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP C/C=C(\NC=[NH2+])C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001236472305 819491239 /nfs/dbraw/zinc/49/12/39/819491239.db2.gz ZTWZVBWFIPJIIP-IDYAWNRISA-N 2 1 281.403 3.450 20 0 CGADMP CC(C)C[N@H+](Cc1ccc2ncoc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236475897 819494277 /nfs/dbraw/zinc/49/42/77/819494277.db2.gz TYJVNCIZDVRSJO-OAHLLOKOSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)C[N@@H+](Cc1ccc2ncoc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236475897 819494280 /nfs/dbraw/zinc/49/42/80/819494280.db2.gz TYJVNCIZDVRSJO-OAHLLOKOSA-N 2 1 287.407 3.038 20 0 CGADMP Cc1cc(F)cc(C[N@H+](C[C@H]2C[C@@H]2C)C2CC[NH2+]CC2)c1 ZINC001236481553 819497160 /nfs/dbraw/zinc/49/71/60/819497160.db2.gz WYTOHIFBYDQCGB-GOEBONIOSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C[C@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC001236510086 819507924 /nfs/dbraw/zinc/50/79/24/819507924.db2.gz YDQXVFSYFKMUTR-HUUCEWRRSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1cccc(C[N@@H+](CC2(F)CC[NH2+]CC2)C2CC2)c1C ZINC001236533893 819526167 /nfs/dbraw/zinc/52/61/67/819526167.db2.gz CZEVEEIXVFKVPA-UHFFFAOYSA-N 2 1 290.426 3.360 20 0 CGADMP [NH3+]CCCCC[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565356 819538490 /nfs/dbraw/zinc/53/84/90/819538490.db2.gz FYFGPQHWKQZVES-JCNLHEQBSA-N 3 1 281.488 3.020 20 0 CGADMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)sc1C ZINC001236602472 819551011 /nfs/dbraw/zinc/55/10/11/819551011.db2.gz WDUVNJPRLAWASE-CQSZACIVSA-N 2 1 278.465 3.329 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001236614685 819552570 /nfs/dbraw/zinc/55/25/70/819552570.db2.gz ARAHBODMTBGICV-HNNXBMFYSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001236614685 819552572 /nfs/dbraw/zinc/55/25/72/819552572.db2.gz ARAHBODMTBGICV-HNNXBMFYSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636216 819556591 /nfs/dbraw/zinc/55/65/91/819556591.db2.gz BHRUFASJVHTXLJ-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681955 819568967 /nfs/dbraw/zinc/56/89/67/819568967.db2.gz MEVACOYTRLIGAM-DKIMLUQUSA-N 2 1 272.436 3.415 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3c(Cl)cccc3Cl)C[C@@H]12 ZINC001236821950 819607525 /nfs/dbraw/zinc/60/75/25/819607525.db2.gz WTQZKNBTRVLEDX-IXPVHAAZSA-N 2 1 299.245 3.205 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3c(Cl)cccc3Cl)C[C@@H]12 ZINC001236821950 819607533 /nfs/dbraw/zinc/60/75/33/819607533.db2.gz WTQZKNBTRVLEDX-IXPVHAAZSA-N 2 1 299.245 3.205 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1Cl ZINC001236825756 819607950 /nfs/dbraw/zinc/60/79/50/819607950.db2.gz AHUHKYQSRYWFLT-RRFJBIMHSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236832962 819611672 /nfs/dbraw/zinc/61/16/72/819611672.db2.gz XXUVHRMXFVFBKX-SNRMKQJTSA-N 2 1 280.415 3.317 20 0 CGADMP CCC[N@@H+](CCc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001236832338 819611716 /nfs/dbraw/zinc/61/17/16/819611716.db2.gz UTSSYVKUMRLLHZ-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP CCC[N@H+](Cc1cc(C)ccc1OCC)C[C@H]1CC[NH2+]C1 ZINC001236833452 819612731 /nfs/dbraw/zinc/61/27/31/819612731.db2.gz BNCPYKXITWOELM-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236834012 819613631 /nfs/dbraw/zinc/61/36/31/819613631.db2.gz DYCYCERWBCMEOT-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236834012 819613636 /nfs/dbraw/zinc/61/36/36/819613636.db2.gz DYCYCERWBCMEOT-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236834797 819614425 /nfs/dbraw/zinc/61/44/25/819614425.db2.gz IFUKVNVWDBLZOL-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCC2CCCCC2)C1 ZINC001237057988 819656552 /nfs/dbraw/zinc/65/65/52/819656552.db2.gz OYCMBSJVERYERH-MRXNPFEDSA-N 2 1 252.446 3.408 20 0 CGADMP CCCCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275088 819713569 /nfs/dbraw/zinc/71/35/69/819713569.db2.gz KBOWXRPBYRXYBW-UHFFFAOYSA-N 2 1 272.436 3.314 20 0 CGADMP c1cc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2o1 ZINC001237417790 819748273 /nfs/dbraw/zinc/74/82/73/819748273.db2.gz UZBBGXWSNGPBAM-ZBFHGGJFSA-N 2 1 270.376 3.007 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237527111 819772791 /nfs/dbraw/zinc/77/27/91/819772791.db2.gz VZUXVDOGGLWSCH-HOTGVXAUSA-N 2 1 298.405 3.362 20 0 CGADMP CCc1ncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001237826065 819852391 /nfs/dbraw/zinc/85/23/91/819852391.db2.gz NRVSUTPLXXQZFT-UHFFFAOYSA-N 2 1 295.496 3.258 20 0 CGADMP Cc1ccc(Cl)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001238562464 820044937 /nfs/dbraw/zinc/04/49/37/820044937.db2.gz DSFXUCACELLRRO-HIFRSBDPSA-N 2 1 278.827 3.032 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001238682823 820082262 /nfs/dbraw/zinc/08/22/62/820082262.db2.gz PHPONOONTLUORL-QGZVFWFLSA-N 2 1 290.476 3.245 20 0 CGADMP CSc1cc(C)cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001238682823 820082270 /nfs/dbraw/zinc/08/22/70/820082270.db2.gz PHPONOONTLUORL-QGZVFWFLSA-N 2 1 290.476 3.245 20 0 CGADMP CSc1cc(C)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001238682823 820082281 /nfs/dbraw/zinc/08/22/81/820082281.db2.gz PHPONOONTLUORL-QGZVFWFLSA-N 2 1 290.476 3.245 20 0 CGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2cncc(C[NH3+])c2)nc1 ZINC001239790580 820607007 /nfs/dbraw/zinc/60/70/07/820607007.db2.gz NCKMHAULAOWWHB-GOSISDBHSA-N 2 1 296.418 3.149 20 0 CGADMP C[C@@H]([NH3+])c1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001240478181 821081377 /nfs/dbraw/zinc/08/13/77/821081377.db2.gz KSCSWOYZOUMWNN-OAHLLOKOSA-N 2 1 296.414 3.206 20 0 CGADMP C[N@H+]1CCC=C(c2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001241569539 821954396 /nfs/dbraw/zinc/95/43/96/821954396.db2.gz FOZAYJKSNXPGGP-UHFFFAOYSA-N 2 1 280.415 3.054 20 0 CGADMP CC[NH+](CC)Cc1cccc(C2=CCC[N@@H+](C)C2)c1 ZINC001241572028 821958303 /nfs/dbraw/zinc/95/83/03/821958303.db2.gz NOJDYOMELRZDSW-UHFFFAOYSA-N 2 1 258.409 3.247 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1cccc(C[NH+]2CCCC2)c1F ZINC001242096558 822350429 /nfs/dbraw/zinc/35/04/29/822350429.db2.gz SYZJGKIUPORTSH-UHFFFAOYSA-N 2 1 285.366 3.374 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)CC1(C)C ZINC001334889990 936121517 /nfs/dbraw/zinc/12/15/17/936121517.db2.gz ULHXBNDCSUGLTP-QGZVFWFLSA-N 2 1 272.436 3.138 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC001340513061 936407273 /nfs/dbraw/zinc/40/72/73/936407273.db2.gz BMXDIVMTSRKWOL-ZFWWWQNUSA-N 2 1 278.465 3.447 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)C[C@H]2C1 ZINC001343333029 936495482 /nfs/dbraw/zinc/49/54/82/936495482.db2.gz LSQQHVSEDZILGP-DJIMGWMZSA-N 2 1 297.446 3.330 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC001343904701 936518142 /nfs/dbraw/zinc/51/81/42/936518142.db2.gz GRBQMWUIOVGCIG-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC001343904701 936518145 /nfs/dbraw/zinc/51/81/45/936518145.db2.gz GRBQMWUIOVGCIG-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC001474504161 937864108 /nfs/dbraw/zinc/86/41/08/937864108.db2.gz CAOBEQNQDACWKL-HLLBOEOZSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC001474504161 937864110 /nfs/dbraw/zinc/86/41/10/937864110.db2.gz CAOBEQNQDACWKL-HLLBOEOZSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC001474504161 937864112 /nfs/dbraw/zinc/86/41/12/937864112.db2.gz CAOBEQNQDACWKL-HLLBOEOZSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC001474504161 937864115 /nfs/dbraw/zinc/86/41/15/937864115.db2.gz CAOBEQNQDACWKL-HLLBOEOZSA-N 2 1 266.473 3.475 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccccc1OC1CCCC1 ZINC001345100361 936801433 /nfs/dbraw/zinc/80/14/33/936801433.db2.gz PVDDXFHQAQRKJG-AWEZNQCLSA-N 2 1 276.424 3.096 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC2(C1)CCCCCC2 ZINC001307506393 927307162 /nfs/dbraw/zinc/30/71/62/927307162.db2.gz NGBAGXBPOSMHSD-QGZVFWFLSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC001307506393 927307174 /nfs/dbraw/zinc/30/71/74/927307174.db2.gz NGBAGXBPOSMHSD-QGZVFWFLSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC001307506393 927307184 /nfs/dbraw/zinc/30/71/84/927307184.db2.gz NGBAGXBPOSMHSD-QGZVFWFLSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccn1 ZINC000766083667 928047916 /nfs/dbraw/zinc/04/79/16/928047916.db2.gz ZQGMEOPHVNYBOD-KRWDZBQOSA-N 2 1 275.440 3.241 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC001462482944 928792852 /nfs/dbraw/zinc/79/28/52/928792852.db2.gz XRFVGFSYNUWEIH-SQNIBIBYSA-N 2 1 296.499 3.245 20 0 CGADMP C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC1CCCCC1 ZINC001459509988 937490208 /nfs/dbraw/zinc/49/02/08/937490208.db2.gz OSXOPVVHXYIALI-QGZVFWFLSA-N 2 1 294.483 3.144 20 0 CGADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC1CCCCC1 ZINC001459509988 937490210 /nfs/dbraw/zinc/49/02/10/937490210.db2.gz OSXOPVVHXYIALI-QGZVFWFLSA-N 2 1 294.483 3.144 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)CC(C)(C)C)CC1 ZINC001459618375 937494103 /nfs/dbraw/zinc/49/41/03/937494103.db2.gz DJOPBYQWBXDJMZ-AWEZNQCLSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)CC(C)(C)C)CC1 ZINC001459618375 937494106 /nfs/dbraw/zinc/49/41/06/937494106.db2.gz DJOPBYQWBXDJMZ-AWEZNQCLSA-N 2 1 254.462 3.475 20 0 CGADMP CCCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614505 937494290 /nfs/dbraw/zinc/49/42/90/937494290.db2.gz OSYZRBFDELIESG-WMZOPIPTSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614505 937494291 /nfs/dbraw/zinc/49/42/91/937494291.db2.gz OSYZRBFDELIESG-WMZOPIPTSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614505 937494292 /nfs/dbraw/zinc/49/42/92/937494292.db2.gz OSYZRBFDELIESG-WMZOPIPTSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614505 937494293 /nfs/dbraw/zinc/49/42/93/937494293.db2.gz OSYZRBFDELIESG-WMZOPIPTSA-N 2 1 292.467 3.162 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651212 937538221 /nfs/dbraw/zinc/53/82/21/937538221.db2.gz HLZZXCVBRRPJLR-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651212 937538223 /nfs/dbraw/zinc/53/82/23/937538223.db2.gz HLZZXCVBRRPJLR-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651212 937538225 /nfs/dbraw/zinc/53/82/25/937538225.db2.gz HLZZXCVBRRPJLR-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651212 937538226 /nfs/dbraw/zinc/53/82/26/937538226.db2.gz HLZZXCVBRRPJLR-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651212 937538227 /nfs/dbraw/zinc/53/82/27/937538227.db2.gz HLZZXCVBRRPJLR-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCC(C)(C)CO1 ZINC001460693745 937540144 /nfs/dbraw/zinc/54/01/44/937540144.db2.gz SJWRMKOLGYRMBT-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CCc1cc(NCCC[N@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000307769348 932022393 /nfs/dbraw/zinc/02/23/93/932022393.db2.gz LKCNTDFTIFFRLR-AWEZNQCLSA-N 2 1 261.413 3.320 20 0 CGADMP CCc1nc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000314043251 932029523 /nfs/dbraw/zinc/02/95/23/932029523.db2.gz AJXZKPKETUSACC-SUMWQHHRSA-N 2 1 290.455 3.270 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001461109680 937564217 /nfs/dbraw/zinc/56/42/17/937564217.db2.gz KOGVXSMTBQCRBW-ZIAGYGMSSA-N 2 1 261.413 3.064 20 0 CGADMP C[C@H](c1cccc(OC2C[NH+](C(C)(C)C)C2)c1)[NH+](C)C ZINC001229624936 932180391 /nfs/dbraw/zinc/18/03/91/932180391.db2.gz DJFQOTFOSOVWFG-CYBMUJFWSA-N 2 1 276.424 3.171 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235891170 932690903 /nfs/dbraw/zinc/69/09/03/932690903.db2.gz CTKKZRAOAGHNDA-SHPPOPEUSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235891170 932690906 /nfs/dbraw/zinc/69/09/06/932690906.db2.gz CTKKZRAOAGHNDA-SHPPOPEUSA-N 2 1 278.827 3.255 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccccc1NC ZINC001462202796 937624600 /nfs/dbraw/zinc/62/46/00/937624600.db2.gz VIPCXHJZUZYIRN-UHFFFAOYSA-N 2 1 277.456 3.282 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccc1NC ZINC001462202796 937624602 /nfs/dbraw/zinc/62/46/02/937624602.db2.gz VIPCXHJZUZYIRN-UHFFFAOYSA-N 2 1 277.456 3.282 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC001462202377 937624658 /nfs/dbraw/zinc/62/46/58/937624658.db2.gz NEBXJKRYJPXINY-RTBURBONSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC001462202377 937624661 /nfs/dbraw/zinc/62/46/61/937624661.db2.gz NEBXJKRYJPXINY-RTBURBONSA-N 2 1 286.463 3.262 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001335584977 932779187 /nfs/dbraw/zinc/77/91/87/932779187.db2.gz ZDJGDNFNYMSJIM-YESZJQIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCC1CCCCC1 ZINC001462338973 937634002 /nfs/dbraw/zinc/63/40/02/937634002.db2.gz WHKLYZTWNDXDLE-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]CCC1CCCCC1 ZINC001462338973 937634003 /nfs/dbraw/zinc/63/40/03/937634003.db2.gz WHKLYZTWNDXDLE-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]cc1C(F)(F)F ZINC001307132345 932917929 /nfs/dbraw/zinc/91/79/29/932917929.db2.gz JDDMRZZCUPIGFP-LLVKDONJSA-N 2 1 289.345 3.055 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001307521991 932965695 /nfs/dbraw/zinc/96/56/95/932965695.db2.gz UQNBCFHXKDHYLJ-IRXDYDNUSA-N 2 1 298.515 3.491 20 0 CGADMP CC[C@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OC ZINC001307531209 932966272 /nfs/dbraw/zinc/96/62/72/932966272.db2.gz UBAGUMBYBDMRAW-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP CC[C@@H](C)[C@H](C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)OC ZINC001462522378 937647081 /nfs/dbraw/zinc/64/70/81/937647081.db2.gz DJCDUEAXRUYGFM-AEFFLSMTSA-N 2 1 298.515 3.347 20 0 CGADMP COCC[N@@H+](C[C@@H](C)CC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001307989353 933031450 /nfs/dbraw/zinc/03/14/50/933031450.db2.gz RLCNCMYFZZLMFV-INIZCTEOSA-N 2 1 298.515 3.349 20 0 CGADMP C[C@H]1CCC[C@H](CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001308121738 933053388 /nfs/dbraw/zinc/05/33/88/933053388.db2.gz RIDGVTOYTMUXQG-HZMVEIRTSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H]1CCC[C@H](CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001308121738 933053391 /nfs/dbraw/zinc/05/33/91/933053391.db2.gz RIDGVTOYTMUXQG-HZMVEIRTSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H]1CCC[C@H](CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC001308121738 933053394 /nfs/dbraw/zinc/05/33/94/933053394.db2.gz RIDGVTOYTMUXQG-HZMVEIRTSA-N 2 1 264.457 3.086 20 0 CGADMP CSC(C)(C)CC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001462673436 937658313 /nfs/dbraw/zinc/65/83/13/937658313.db2.gz XMDSJAWLVQQSDL-CALCHBBNSA-N 2 1 296.524 3.326 20 0 CGADMP CSC(C)(C)CC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001462673436 937658315 /nfs/dbraw/zinc/65/83/15/937658315.db2.gz XMDSJAWLVQQSDL-CALCHBBNSA-N 2 1 296.524 3.326 20 0 CGADMP CSC(C)(C)CC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001462673436 937658317 /nfs/dbraw/zinc/65/83/17/937658317.db2.gz XMDSJAWLVQQSDL-CALCHBBNSA-N 2 1 296.524 3.326 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC001308552322 933130836 /nfs/dbraw/zinc/13/08/36/933130836.db2.gz BJRFRDDKVHJYIT-LNSITVRQSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC001308552322 933130839 /nfs/dbraw/zinc/13/08/39/933130839.db2.gz BJRFRDDKVHJYIT-LNSITVRQSA-N 2 1 299.245 3.423 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC001308634272 933146385 /nfs/dbraw/zinc/14/63/85/933146385.db2.gz JZAVQPGGBRPYER-DJIMGWMZSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1ccc([C@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)c(C)c1 ZINC001308737873 933166981 /nfs/dbraw/zinc/16/69/81/933166981.db2.gz NFJJCHFJXDSGMZ-SFHVURJKSA-N 2 1 286.463 3.435 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748931 933169863 /nfs/dbraw/zinc/16/98/63/933169863.db2.gz XRAQPAUKYLZDFG-UXHICEINSA-N 2 1 298.474 3.482 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748931 933169867 /nfs/dbraw/zinc/16/98/67/933169867.db2.gz XRAQPAUKYLZDFG-UXHICEINSA-N 2 1 298.474 3.482 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748931 933169870 /nfs/dbraw/zinc/16/98/70/933169870.db2.gz XRAQPAUKYLZDFG-UXHICEINSA-N 2 1 298.474 3.482 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1 ZINC001308850164 933188816 /nfs/dbraw/zinc/18/88/16/933188816.db2.gz YPPUAHCYTZXNAU-QGZVFWFLSA-N 2 1 276.468 3.494 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294237 933853677 /nfs/dbraw/zinc/85/36/77/933853677.db2.gz PPKINIWNRAJTTA-JEBQAFNWSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294237 933853683 /nfs/dbraw/zinc/85/36/83/933853683.db2.gz PPKINIWNRAJTTA-JEBQAFNWSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294237 933853691 /nfs/dbraw/zinc/85/36/91/933853691.db2.gz PPKINIWNRAJTTA-JEBQAFNWSA-N 2 1 288.410 3.229 20 0 CGADMP CCCC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001319326667 933858917 /nfs/dbraw/zinc/85/89/17/933858917.db2.gz XDZVQMVPUFELAE-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455484 933878950 /nfs/dbraw/zinc/87/89/50/933878950.db2.gz WBGOWYIGVIIBGY-PXAZEXFGSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455484 933878951 /nfs/dbraw/zinc/87/89/51/933878951.db2.gz WBGOWYIGVIIBGY-PXAZEXFGSA-N 2 1 294.389 3.274 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCc2ccc(F)cc2)C1 ZINC001320172997 934012613 /nfs/dbraw/zinc/01/26/13/934012613.db2.gz BBURYZOBOGGVBZ-MRXNPFEDSA-N 2 1 292.442 3.470 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCc2ccc(F)cc2)C1 ZINC001320172995 934012894 /nfs/dbraw/zinc/01/28/94/934012894.db2.gz BBURYZOBOGGVBZ-INIZCTEOSA-N 2 1 292.442 3.470 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001323596066 934410380 /nfs/dbraw/zinc/41/03/80/934410380.db2.gz SIXNQNWFBQBLQH-LSDHHAIUSA-N 2 1 275.440 3.027 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC001323596066 934410381 /nfs/dbraw/zinc/41/03/81/934410381.db2.gz SIXNQNWFBQBLQH-LSDHHAIUSA-N 2 1 275.440 3.027 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001323991546 934446438 /nfs/dbraw/zinc/44/64/38/934446438.db2.gz QDUXKQSOUFGRMZ-CGTJXYLNSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001473426355 937806835 /nfs/dbraw/zinc/80/68/35/937806835.db2.gz ZEDUJRZNXASCOK-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cc(Cl)ccc1OC ZINC001326036411 934945863 /nfs/dbraw/zinc/94/58/63/934945863.db2.gz QZFRTXRFNAONRH-RISCZKNCSA-N 2 1 284.831 3.387 20 0 CGADMP C[N@H+](CCC[NH2+]Cc1cccn1C1CC1)Cc1ccccc1 ZINC001326429433 934979112 /nfs/dbraw/zinc/97/91/12/934979112.db2.gz FKZSXNYIXFBMIH-UHFFFAOYSA-N 2 1 297.446 3.435 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1cccn1C1CC1)Cc1ccccc1 ZINC001326429433 934979115 /nfs/dbraw/zinc/97/91/15/934979115.db2.gz FKZSXNYIXFBMIH-UHFFFAOYSA-N 2 1 297.446 3.435 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCc3c1cccc3F)C2 ZINC001330566347 935296802 /nfs/dbraw/zinc/29/68/02/935296802.db2.gz JAQVNCMZHRCPFO-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCc3c1cccc3F)C2 ZINC001330566347 935296804 /nfs/dbraw/zinc/29/68/04/935296804.db2.gz JAQVNCMZHRCPFO-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCc3c1cccc3F)C2 ZINC001330566347 935296806 /nfs/dbraw/zinc/29/68/06/935296806.db2.gz JAQVNCMZHRCPFO-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCc3c1cccc3F)C2 ZINC001330566347 935296809 /nfs/dbraw/zinc/29/68/09/935296809.db2.gz JAQVNCMZHRCPFO-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001330715134 935316045 /nfs/dbraw/zinc/31/60/45/935316045.db2.gz UCGNKCRQSMNXJK-NJAFHUGGSA-N 2 1 289.467 3.255 20 0 CGADMP CCOc1cccc2cc([C@H](C)[NH2+]CC[C@@H](C)[NH2+]C)oc21 ZINC001331835914 935413095 /nfs/dbraw/zinc/41/30/95/935413095.db2.gz TXENWZLRDAROHK-OLZOCXBDSA-N 2 1 290.407 3.480 20 0 CGADMP Cc1cc[nH+]c(N)c1CNc1cccc(C[NH+]2CCCC2)c1 ZINC001331979226 935430077 /nfs/dbraw/zinc/43/00/77/935430077.db2.gz NVSUNADLEAFJLS-UHFFFAOYSA-N 2 1 296.418 3.180 20 0 CGADMP C[NH+](C)C1(C[NH2+]CCCC(F)(F)F)CCCCC1 ZINC001333657200 935556894 /nfs/dbraw/zinc/55/68/94/935556894.db2.gz ADBRAAXTNMATLW-UHFFFAOYSA-N 2 1 266.351 3.183 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@H]2C1 ZINC001333840532 936071080 /nfs/dbraw/zinc/07/10/80/936071080.db2.gz GUDHHNYVDYTYTO-YHDCXSKOSA-N 2 1 298.474 3.452 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3(C)CCCC3)C[C@H]2C1 ZINC001333893481 936073822 /nfs/dbraw/zinc/07/38/22/936073822.db2.gz YPCFLIBCHDKKIJ-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1[nH]c(C)nc1C ZINC001334076756 936083124 /nfs/dbraw/zinc/08/31/24/936083124.db2.gz OKAXKKHSBMBHCW-MRXNPFEDSA-N 2 1 269.392 3.363 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2Cl)C1 ZINC001473957424 937832388 /nfs/dbraw/zinc/83/23/88/937832388.db2.gz OPKWUBFDZDVUBQ-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2Cl)C1 ZINC001473957424 937832390 /nfs/dbraw/zinc/83/23/90/937832390.db2.gz OPKWUBFDZDVUBQ-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CC1(C)CCC[C@@H](C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001474005031 937835186 /nfs/dbraw/zinc/83/51/86/937835186.db2.gz LPVVJLQYUVPPAT-SJORKVTESA-N 2 1 296.499 3.029 20 0 CGADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001474360844 937853796 /nfs/dbraw/zinc/85/37/96/937853796.db2.gz GOFQRBRXUFENOG-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001474435273 937859533 /nfs/dbraw/zinc/85/95/33/937859533.db2.gz CZTDTXCIOFKCLL-LTIDMASMSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C1CCC(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC001474671143 937874117 /nfs/dbraw/zinc/87/41/17/937874117.db2.gz SBHLXTNALPLFOK-OPQOLIRYSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC001474671143 937874118 /nfs/dbraw/zinc/87/41/18/937874118.db2.gz SBHLXTNALPLFOK-OPQOLIRYSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC001474671143 937874119 /nfs/dbraw/zinc/87/41/19/937874119.db2.gz SBHLXTNALPLFOK-OPQOLIRYSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC001474671143 937874120 /nfs/dbraw/zinc/87/41/20/937874120.db2.gz SBHLXTNALPLFOK-OPQOLIRYSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001474747393 937878909 /nfs/dbraw/zinc/87/89/09/937878909.db2.gz BVMLJGLWJJJKNN-YESZJQIVSA-N 2 1 266.473 3.475 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)sc1C ZINC001549776742 938159594 /nfs/dbraw/zinc/15/95/94/938159594.db2.gz WFNYFSYPGGJJIK-CABCVRRESA-N 2 1 293.480 3.287 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001550354217 938166222 /nfs/dbraw/zinc/16/62/22/938166222.db2.gz YQVNMPKQUNVOLI-LZWOXQAQSA-N 2 1 270.436 3.354 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540795 938167543 /nfs/dbraw/zinc/16/75/43/938167543.db2.gz LDARGUOFYMNUMT-BRWVUGGUSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540795 938167544 /nfs/dbraw/zinc/16/75/44/938167544.db2.gz LDARGUOFYMNUMT-BRWVUGGUSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540795 938167545 /nfs/dbraw/zinc/16/75/45/938167545.db2.gz LDARGUOFYMNUMT-BRWVUGGUSA-N 2 1 258.409 3.021 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539600 938167714 /nfs/dbraw/zinc/16/77/14/938167714.db2.gz DKXKSWDJGTYIRV-ZIAGYGMSSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539600 938167715 /nfs/dbraw/zinc/16/77/15/938167715.db2.gz DKXKSWDJGTYIRV-ZIAGYGMSSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539600 938167716 /nfs/dbraw/zinc/16/77/16/938167716.db2.gz DKXKSWDJGTYIRV-ZIAGYGMSSA-N 2 1 298.352 3.089 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540768 938167756 /nfs/dbraw/zinc/16/77/56/938167756.db2.gz KQYNXTNTURYMGQ-YUELXQCFSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540768 938167757 /nfs/dbraw/zinc/16/77/57/938167757.db2.gz KQYNXTNTURYMGQ-YUELXQCFSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540768 938167758 /nfs/dbraw/zinc/16/77/58/938167758.db2.gz KQYNXTNTURYMGQ-YUELXQCFSA-N 2 1 278.827 3.285 20 0 CGADMP CCO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552080819 938190054 /nfs/dbraw/zinc/19/00/54/938190054.db2.gz LGJFTUASMCHEAB-WNRNVDISSA-N 2 1 288.435 3.027 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001559909284 938238482 /nfs/dbraw/zinc/23/84/82/938238482.db2.gz FLTBZJABPHXYSY-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001559909284 938238483 /nfs/dbraw/zinc/23/84/83/938238483.db2.gz FLTBZJABPHXYSY-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001560069531 938243040 /nfs/dbraw/zinc/24/30/40/938243040.db2.gz VFILAYGWZSHQLJ-VOGXCRAGSA-N 2 1 270.848 3.325 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001560069531 938243041 /nfs/dbraw/zinc/24/30/41/938243041.db2.gz VFILAYGWZSHQLJ-VOGXCRAGSA-N 2 1 270.848 3.325 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001560155204 938245588 /nfs/dbraw/zinc/24/55/88/938245588.db2.gz FINVGGXISOPLRE-CABCVRRESA-N 2 1 299.393 3.492 20 0 CGADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC001560255297 938249402 /nfs/dbraw/zinc/24/94/02/938249402.db2.gz JIQSMOQESWBQQJ-UPHRSURJSA-N 2 1 292.373 3.194 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(C)(C)C)oc2C)C1 ZINC001560273423 938250672 /nfs/dbraw/zinc/25/06/72/938250672.db2.gz RGHWXKLPJUXHBG-CQSZACIVSA-N 2 1 278.440 3.317 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(C)(C)C)oc2C)C1 ZINC001560273423 938250676 /nfs/dbraw/zinc/25/06/76/938250676.db2.gz RGHWXKLPJUXHBG-CQSZACIVSA-N 2 1 278.440 3.317 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001560361115 938255002 /nfs/dbraw/zinc/25/50/02/938255002.db2.gz KEIXWVIYLRYOAY-UERKLNTKSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC[N@H+]1C ZINC001560361115 938255003 /nfs/dbraw/zinc/25/50/03/938255003.db2.gz KEIXWVIYLRYOAY-UERKLNTKSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1F ZINC001560987645 938288074 /nfs/dbraw/zinc/28/80/74/938288074.db2.gz SJZPMEWJIMCZPA-HNNXBMFYSA-N 2 1 299.393 3.240 20 0 CGADMP Cc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1F ZINC001560987645 938288076 /nfs/dbraw/zinc/28/80/76/938288076.db2.gz SJZPMEWJIMCZPA-HNNXBMFYSA-N 2 1 299.393 3.240 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001561053106 938292448 /nfs/dbraw/zinc/29/24/48/938292448.db2.gz SHYTXASVHDSVPX-ZSYWTGECSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCCC(C)(C)C1)C2 ZINC001576426718 960476259 /nfs/dbraw/zinc/47/62/59/960476259.db2.gz MKOAWAKSFAZINB-OIISXLGYSA-N 2 1 264.457 3.134 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC001580293113 960486634 /nfs/dbraw/zinc/48/66/34/960486634.db2.gz RJJNKTMKDWNYBN-QGZVFWFLSA-N 2 1 260.425 3.213 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC001575423841 962371121 /nfs/dbraw/zinc/37/11/21/962371121.db2.gz YZWMRYPOVHIBMK-CVEARBPZSA-N 2 1 278.465 3.007 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC001575421936 962372650 /nfs/dbraw/zinc/37/26/50/962372650.db2.gz CZNYKSGMDGDKPS-ROUUACIJSA-N 2 1 274.452 3.315 20 0 CGADMP CC(C)[C@@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001575502277 962374607 /nfs/dbraw/zinc/37/46/07/962374607.db2.gz RZTFIDDUDMCQCF-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC001575422258 962382119 /nfs/dbraw/zinc/38/21/19/962382119.db2.gz GPONVFWBDXBARC-VNQPRFMTSA-N 2 1 278.415 3.234 20 0 CGADMP CC(C)[C@@H]1[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC12CCCC2 ZINC001575521899 962390194 /nfs/dbraw/zinc/39/01/94/962390194.db2.gz VSNHBRIDVMVNQO-JKSUJKDBSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC001575656481 962410984 /nfs/dbraw/zinc/41/09/84/962410984.db2.gz ZARFOYXKKKSQJP-WMLDXEAASA-N 2 1 260.425 3.054 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC001575655482 962413533 /nfs/dbraw/zinc/41/35/33/962413533.db2.gz LLFJGHMTMGNOEX-WMLDXEAASA-N 2 1 260.425 3.197 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC001575966683 962427973 /nfs/dbraw/zinc/42/79/73/962427973.db2.gz RKACSTWMJLUJJP-PWSUYJOCSA-N 2 1 286.872 3.310 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001576104531 962437781 /nfs/dbraw/zinc/43/77/81/962437781.db2.gz ZZOLMBYMYLKNIG-RYUDHWBXSA-N 2 1 258.409 3.267 20 0 CGADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC001576457745 962459627 /nfs/dbraw/zinc/45/96/27/962459627.db2.gz KXBJZVSDTZOHIV-MRXNPFEDSA-N 2 1 286.463 3.212 20 0 CGADMP CC1(C)c2ccccc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576495421 962465476 /nfs/dbraw/zinc/46/54/76/962465476.db2.gz TXTJBOZNKHSFRH-ZXFUBFMLSA-N 2 1 284.447 3.310 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC001576555974 962465701 /nfs/dbraw/zinc/46/57/01/962465701.db2.gz MBVMBMBSYPGSPM-BPUTZDHNSA-N 2 1 250.430 3.086 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC001576748744 962495348 /nfs/dbraw/zinc/49/53/48/962495348.db2.gz NEWGGNGAZJENCR-OIVHMFSTSA-N 2 1 276.399 3.048 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C(C)(C)[NH3+])no1 ZINC001577254554 962514975 /nfs/dbraw/zinc/51/49/75/962514975.db2.gz LVKLDSXJFNGGMJ-JSGCOSHPSA-N 2 1 279.428 3.269 20 0 CGADMP CC[C@@H]1C[N@@H+](CCC2C[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC001577279680 962528621 /nfs/dbraw/zinc/52/86/21/962528621.db2.gz NSXSKRKTJMGKMM-AEFFLSMTSA-N 2 1 272.436 3.112 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]([NH3+])CCC(C)(C)C)C12CCC2 ZINC001578087650 962560397 /nfs/dbraw/zinc/56/03/97/962560397.db2.gz PQJRWSQBWGKLFW-BZUAXINKSA-N 2 1 296.499 3.420 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C)C12CCC2 ZINC001578087650 962560423 /nfs/dbraw/zinc/56/04/23/962560423.db2.gz PQJRWSQBWGKLFW-BZUAXINKSA-N 2 1 296.499 3.420 20 0 CGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCC(F)(F)CC1 ZINC001578494392 962591559 /nfs/dbraw/zinc/59/15/59/962591559.db2.gz UAMNEMWFEHKGSU-UHFFFAOYSA-N 2 1 294.389 3.342 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CCCCC1 ZINC001578909325 962603237 /nfs/dbraw/zinc/60/32/37/962603237.db2.gz VDWMMNGMTNZCBY-DJIMGWMZSA-N 2 1 282.472 3.031 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+](C)C2CC([NH3+])C2)cc1C ZINC001579571995 962642058 /nfs/dbraw/zinc/64/20/58/962642058.db2.gz NHYSMAAVTUIXOG-AATRIKPKSA-N 2 1 258.409 3.047 20 0 CGADMP Cc1ccc(C[N@@H+](CC2(C[NH3+])CCC2)C(C)C)s1 ZINC001579691130 962654147 /nfs/dbraw/zinc/65/41/47/962654147.db2.gz MUDCEVSZFQDWRG-UHFFFAOYSA-N 2 1 266.454 3.396 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(F)c1 ZINC001579697027 962654526 /nfs/dbraw/zinc/65/45/26/962654526.db2.gz SOYLZWXZKIHHFJ-CQSZACIVSA-N 2 1 264.388 3.002 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001579755264 962671999 /nfs/dbraw/zinc/67/19/99/962671999.db2.gz RYHIZDHXILPGOY-GOSISDBHSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1nc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)sc1C ZINC001579857789 962678620 /nfs/dbraw/zinc/67/86/20/962678620.db2.gz OZIPEWDHRFHIRH-AWEZNQCLSA-N 2 1 293.480 3.243 20 0 CGADMP Cc1nc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)sc1C ZINC001579857789 962678626 /nfs/dbraw/zinc/67/86/26/962678626.db2.gz OZIPEWDHRFHIRH-AWEZNQCLSA-N 2 1 293.480 3.243 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)C12CCC2 ZINC001580165974 962692881 /nfs/dbraw/zinc/69/28/81/962692881.db2.gz VLBABGLJKOPCAO-KGLIPLIRSA-N 2 1 291.464 3.160 20 0 CGADMP [NH3+]CCC[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccc1 ZINC001580289954 962704446 /nfs/dbraw/zinc/70/44/46/962704446.db2.gz ZGZVWMLGNVLHPT-INIZCTEOSA-N 2 1 285.391 3.122 20 0 CGADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1CCCC2(CCC2)O1 ZINC001580297553 962719735 /nfs/dbraw/zinc/71/97/35/962719735.db2.gz XQCSGWDDNMKSMU-QGZVFWFLSA-N 2 1 294.483 3.319 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000337421079 214071661 /nfs/dbraw/zinc/07/16/61/214071661.db2.gz FRWQJCMDNIZNIX-JKSUJKDBSA-N 2 1 262.441 3.173 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000337421079 214071664 /nfs/dbraw/zinc/07/16/64/214071664.db2.gz FRWQJCMDNIZNIX-JKSUJKDBSA-N 2 1 262.441 3.173 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124530818 187141811 /nfs/dbraw/zinc/14/18/11/187141811.db2.gz VSFLJMITNFKRME-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)C1CCC1 ZINC000651211032 398216532 /nfs/dbraw/zinc/21/65/32/398216532.db2.gz VPTDVBUHFHOIET-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000294956584 199269579 /nfs/dbraw/zinc/26/95/79/199269579.db2.gz IASSFLODMVRYDO-CCNLRDMRSA-N 2 1 272.436 3.080 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000651730671 398277285 /nfs/dbraw/zinc/27/72/85/398277285.db2.gz USMQXUAEMNMTSH-ZWKOTPCHSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000651866224 398298913 /nfs/dbraw/zinc/29/89/13/398298913.db2.gz ZWRZNTVUCPRPCU-RCCFBDPRSA-N 2 1 296.499 3.149 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000651910535 398305571 /nfs/dbraw/zinc/30/55/71/398305571.db2.gz XTDJOJIFQSCMGO-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)C1CCCC1 ZINC000337998133 214353728 /nfs/dbraw/zinc/35/37/28/214353728.db2.gz QPKODAHJMFWBON-JKSUJKDBSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)C1CCCC1 ZINC000337998133 214353731 /nfs/dbraw/zinc/35/37/31/214353731.db2.gz QPKODAHJMFWBON-JKSUJKDBSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000125718342 187197331 /nfs/dbraw/zinc/19/73/31/187197331.db2.gz AOMKSEAUDMVMCK-NXOAAHMSSA-N 2 1 290.451 3.081 20 0 CGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccco1 ZINC000125948729 187206782 /nfs/dbraw/zinc/20/67/82/187206782.db2.gz QJCVJMFQUOCMKG-GXTWGEPZSA-N 2 1 252.402 3.297 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414184662 529623314 /nfs/dbraw/zinc/62/33/14/529623314.db2.gz OBSAXFJNEPXOMC-LSDHHAIUSA-N 2 1 275.440 3.027 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000271067941 282209929 /nfs/dbraw/zinc/20/99/29/282209929.db2.gz DKVGVGQIVFUXNS-BBRMVZONSA-N 2 1 269.392 3.338 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)CC1(C)C ZINC000623344236 349783301 /nfs/dbraw/zinc/78/33/01/349783301.db2.gz BRLGZEXZDBLHLW-GOEBONIOSA-N 2 1 258.409 3.136 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423312882 529619178 /nfs/dbraw/zinc/61/91/78/529619178.db2.gz DYMZQYQYXGKOJL-KBPBESRZSA-N 2 1 252.789 3.118 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC(F)F)cc1 ZINC000423317789 529619330 /nfs/dbraw/zinc/61/93/30/529619330.db2.gz KPVIVNOUPCPTBZ-KBPBESRZSA-N 2 1 284.350 3.066 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000423436600 529650997 /nfs/dbraw/zinc/65/09/97/529650997.db2.gz FKBBAGGTYTVKCT-KWBADKCTSA-N 2 1 285.229 3.226 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)ccn1 ZINC000623346635 349784797 /nfs/dbraw/zinc/78/47/97/349784797.db2.gz ZQIJAIZBSIFQAY-UHFFFAOYSA-N 2 1 275.440 3.134 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)ccn1 ZINC000623346635 349784801 /nfs/dbraw/zinc/78/48/01/349784801.db2.gz ZQIJAIZBSIFQAY-UHFFFAOYSA-N 2 1 275.440 3.134 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378777 349794200 /nfs/dbraw/zinc/79/42/00/349794200.db2.gz QADDAHLGKHSTJV-MGPQQGTHSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H](NCc2cc(-c3ccccc3)on2)CC1(C)C ZINC000623394402 349797536 /nfs/dbraw/zinc/79/75/36/349797536.db2.gz DEUXKZQKIUIDQV-HNNXBMFYSA-N 2 1 299.418 3.304 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]2C2CCCCC2)CC1(C)C ZINC000623430837 349806900 /nfs/dbraw/zinc/80/69/00/349806900.db2.gz HZEFUBJNEQYZNQ-JYJNAYRXSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1(C)C ZINC000623453298 349812722 /nfs/dbraw/zinc/81/27/22/349812722.db2.gz IHJCFNSEJOJCKW-HZPDHXFCSA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623445358 349811641 /nfs/dbraw/zinc/81/16/41/349811641.db2.gz NSFRZCPIIXSACI-CQSZACIVSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)CC1(C)C ZINC000623454183 349812977 /nfs/dbraw/zinc/81/29/77/349812977.db2.gz XISKGAOGXCKUAK-NWDGAFQWSA-N 2 1 260.372 3.027 20 0 CGADMP CCc1cnccc1[C@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623482887 349817245 /nfs/dbraw/zinc/81/72/45/349817245.db2.gz KVDPMTYGZPSZGL-DZGCQCFKSA-N 2 1 275.440 3.167 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623482887 349817253 /nfs/dbraw/zinc/81/72/53/349817253.db2.gz KVDPMTYGZPSZGL-DZGCQCFKSA-N 2 1 275.440 3.167 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000420366880 529747899 /nfs/dbraw/zinc/74/78/99/529747899.db2.gz UZCPPXZHOBFQPU-GXTWGEPZSA-N 2 1 293.480 3.014 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623550408 349832483 /nfs/dbraw/zinc/83/24/83/349832483.db2.gz NJGSEZTZIDKKGL-GHMZBOCLSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@H](C[NH2+]Cc1csc(C(F)(F)F)c1)C[NH+](C)C ZINC000623529961 349827649 /nfs/dbraw/zinc/82/76/49/349827649.db2.gz HFWODQHTKKBBRR-SECBINFHSA-N 2 1 280.359 3.054 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCCC2(F)F)CC1(C)C ZINC000623535210 349828402 /nfs/dbraw/zinc/82/84/02/349828402.db2.gz QFTLRINKEDQFIE-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1ccc(F)c(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623540395 349830429 /nfs/dbraw/zinc/83/04/29/349830429.db2.gz XSVKPAZILHWISC-HNNXBMFYSA-N 2 1 278.415 3.139 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC1(C)C ZINC000623549147 349830928 /nfs/dbraw/zinc/83/09/28/349830928.db2.gz RTCPMYROHSSHNA-HRCADAONSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@H]2CCC[C@@H]21 ZINC000423436691 529806495 /nfs/dbraw/zinc/80/64/95/529806495.db2.gz FPQJZIDHJHHKNR-NEWSRXKRSA-N 2 1 299.462 3.007 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000367620839 529806628 /nfs/dbraw/zinc/80/66/28/529806628.db2.gz YOEVMAJIIFDGKW-WDSOQIARSA-N 2 1 297.446 3.173 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000623655525 349856969 /nfs/dbraw/zinc/85/69/69/349856969.db2.gz YXIQCFKDNUNCHB-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000623655525 349856972 /nfs/dbraw/zinc/85/69/72/349856972.db2.gz YXIQCFKDNUNCHB-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000623656633 349857617 /nfs/dbraw/zinc/85/76/17/349857617.db2.gz YTAPSTCMKYMFEK-CQSZACIVSA-N 2 1 298.377 3.110 20 0 CGADMP CCC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623656611 349857672 /nfs/dbraw/zinc/85/76/72/349857672.db2.gz YKHCTXWGELTTBU-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCCO1 ZINC000623864125 349899452 /nfs/dbraw/zinc/89/94/52/349899452.db2.gz HBDWXARMQGFSAB-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH2+]CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423251818 529978435 /nfs/dbraw/zinc/97/84/35/529978435.db2.gz WZBABNOVLBCDNQ-ZDUSSCGKSA-N 2 1 273.424 3.033 20 0 CGADMP C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C[C@H]1CCC[NH+](C)C1 ZINC000437589848 529980794 /nfs/dbraw/zinc/98/07/94/529980794.db2.gz LAXYOVKAYFMKNQ-ZDUSSCGKSA-N 2 1 289.398 3.081 20 0 CGADMP C[N@H+](Cc1cc2c(cccc2F)[nH]1)C[C@H]1CCC[NH+](C)C1 ZINC000437589848 529980795 /nfs/dbraw/zinc/98/07/95/529980795.db2.gz LAXYOVKAYFMKNQ-ZDUSSCGKSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@H]1CCC[N@H+](C)C1 ZINC000437589848 529980796 /nfs/dbraw/zinc/98/07/96/529980796.db2.gz LAXYOVKAYFMKNQ-ZDUSSCGKSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@H]1CCC[N@@H+](C)C1 ZINC000437589848 529980797 /nfs/dbraw/zinc/98/07/97/529980797.db2.gz LAXYOVKAYFMKNQ-ZDUSSCGKSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000367760188 530050492 /nfs/dbraw/zinc/05/04/92/530050492.db2.gz YPQUMCKERVUSIF-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000367681887 530051151 /nfs/dbraw/zinc/05/11/51/530051151.db2.gz DLJYKENUBPCBLY-AWEZNQCLSA-N 2 1 294.389 3.129 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000040599447 344963893 /nfs/dbraw/zinc/96/38/93/344963893.db2.gz OQUFOUUFLITUNJ-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040622726 344964008 /nfs/dbraw/zinc/96/40/08/344964008.db2.gz RUQUJBRCYZJHLF-NXVRBGIVSA-N 2 1 290.426 3.392 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000037197201 344948108 /nfs/dbraw/zinc/94/81/08/344948108.db2.gz MFICFZVVTMOOEP-CQSZACIVSA-N 2 1 278.440 3.242 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCc2ccccc2C1 ZINC000127345395 187298496 /nfs/dbraw/zinc/29/84/96/187298496.db2.gz CSAIZLPDHDFFRJ-UHFFFAOYSA-N 2 1 269.392 3.030 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCc2ccccc2C1 ZINC000127345395 187298498 /nfs/dbraw/zinc/29/84/98/187298498.db2.gz CSAIZLPDHDFFRJ-UHFFFAOYSA-N 2 1 269.392 3.030 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000127357502 187299391 /nfs/dbraw/zinc/29/93/91/187299391.db2.gz ZTCFUNOBFCXDBA-KRWDZBQOSA-N 2 1 299.418 3.125 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000127357502 187299393 /nfs/dbraw/zinc/29/93/93/187299393.db2.gz ZTCFUNOBFCXDBA-KRWDZBQOSA-N 2 1 299.418 3.125 20 0 CGADMP CC(C)[NH2+][C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000071199305 345402431 /nfs/dbraw/zinc/40/24/31/345402431.db2.gz OMPSAQIIJHDPIE-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000071199305 345402435 /nfs/dbraw/zinc/40/24/35/345402435.db2.gz OMPSAQIIJHDPIE-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000078563602 345613523 /nfs/dbraw/zinc/61/35/23/345613523.db2.gz ZGHSVIJEFQPGBA-HNNXBMFYSA-N 2 1 283.419 3.403 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000086904390 345751497 /nfs/dbraw/zinc/75/14/97/345751497.db2.gz GRGDKRRFIQGPHQ-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP c1c2ccccc2oc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090076539 345780876 /nfs/dbraw/zinc/78/08/76/345780876.db2.gz XFIUVBLHCMKWSO-JKSUJKDBSA-N 2 1 284.403 3.192 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000090726399 345793356 /nfs/dbraw/zinc/79/33/56/345793356.db2.gz ZXTQFSIVNYISHW-ZMSDIMECSA-N 2 1 292.492 3.381 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000090726399 345793360 /nfs/dbraw/zinc/79/33/60/345793360.db2.gz ZXTQFSIVNYISHW-ZMSDIMECSA-N 2 1 292.492 3.381 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043081 345828376 /nfs/dbraw/zinc/82/83/76/345828376.db2.gz YAYRCDSOKJVQDG-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043081 345828377 /nfs/dbraw/zinc/82/83/77/345828377.db2.gz YAYRCDSOKJVQDG-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043081 345828379 /nfs/dbraw/zinc/82/83/79/345828379.db2.gz YAYRCDSOKJVQDG-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043081 345828381 /nfs/dbraw/zinc/82/83/81/345828381.db2.gz YAYRCDSOKJVQDG-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093693328 345885391 /nfs/dbraw/zinc/88/53/91/345885391.db2.gz WGWXTOVYBQHYQS-YTQUADARSA-N 2 1 286.463 3.454 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158236120 346163589 /nfs/dbraw/zinc/16/35/89/346163589.db2.gz BDWPHTOXTOYVKL-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158236120 346163592 /nfs/dbraw/zinc/16/35/92/346163592.db2.gz BDWPHTOXTOYVKL-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000161630784 346176346 /nfs/dbraw/zinc/17/63/46/346176346.db2.gz XRJHMYIXVUEALR-INIZCTEOSA-N 2 1 289.467 3.108 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)ccc2c1 ZINC000156070913 346156840 /nfs/dbraw/zinc/15/68/40/346156840.db2.gz VBJNOOFYIXOOHD-DYVFJYSZSA-N 2 1 284.403 3.160 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157561414 346161908 /nfs/dbraw/zinc/16/19/08/346161908.db2.gz XUEGJMDAUXZXKF-WCQYABFASA-N 2 1 289.810 3.200 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157561414 346161911 /nfs/dbraw/zinc/16/19/11/346161911.db2.gz XUEGJMDAUXZXKF-WCQYABFASA-N 2 1 289.810 3.200 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000252121581 346389955 /nfs/dbraw/zinc/38/99/55/346389955.db2.gz KWRFKHOEORWVSM-UGUYLWEFSA-N 2 1 252.446 3.131 20 0 CGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252861819 346392775 /nfs/dbraw/zinc/39/27/75/346392775.db2.gz NQFDAPCOAMEEMC-SZMVWBNQSA-N 2 1 288.435 3.035 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c(C)s1 ZINC000313965557 346480831 /nfs/dbraw/zinc/48/08/31/346480831.db2.gz JKKPTAUTTBCJII-LBPRGKRZSA-N 2 1 277.437 3.382 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000401773283 346592993 /nfs/dbraw/zinc/59/29/93/346592993.db2.gz QGGKPVSBDCTKCH-UHFFFAOYSA-N 2 1 284.190 3.059 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000119126566 370647438 /nfs/dbraw/zinc/64/74/38/370647438.db2.gz CSBFRSYTEJCYAB-YQQAZPJKSA-N 2 1 290.451 3.089 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000119126566 370647443 /nfs/dbraw/zinc/64/74/43/370647443.db2.gz CSBFRSYTEJCYAB-YQQAZPJKSA-N 2 1 290.451 3.089 20 0 CGADMP C[C@H](CSCCF)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595008181 347255276 /nfs/dbraw/zinc/25/52/76/347255276.db2.gz BQZZJWYASAGWLE-QLFBSQMISA-N 2 1 290.492 3.035 20 0 CGADMP C[C@@H](CSCCF)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000595014722 347257124 /nfs/dbraw/zinc/25/71/24/347257124.db2.gz SKAVPILOGBOZDH-GJZGRUSLSA-N 2 1 290.492 3.179 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000351851276 219225751 /nfs/dbraw/zinc/22/57/51/219225751.db2.gz KZJVQYFHKLQJHX-NEPJUHHUSA-N 2 1 284.856 3.101 20 0 CGADMP CSCC1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000599069614 347714169 /nfs/dbraw/zinc/71/41/69/347714169.db2.gz HXTPGFGPFHZLLI-HWOWSKLDSA-N 2 1 284.513 3.230 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120055 349976498 /nfs/dbraw/zinc/97/64/98/349976498.db2.gz QOSUJYPHSOQHTB-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000624120466 349977376 /nfs/dbraw/zinc/97/73/76/349977376.db2.gz ZXRLUKXBYIFFBN-QAPCUYQASA-N 2 1 290.451 3.468 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624122142 349979720 /nfs/dbraw/zinc/97/97/20/349979720.db2.gz KTWYWANWYOWOBY-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120808 349978358 /nfs/dbraw/zinc/97/83/58/349978358.db2.gz HHBKXCWQPOJCBZ-YOEHRIQHSA-N 2 1 288.435 3.004 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000624122517 349981531 /nfs/dbraw/zinc/98/15/31/349981531.db2.gz TZILDMKHMIAJKC-MLGOLLRUSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000624122517 349981535 /nfs/dbraw/zinc/98/15/35/349981535.db2.gz TZILDMKHMIAJKC-MLGOLLRUSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376707 215131146 /nfs/dbraw/zinc/13/11/46/215131146.db2.gz JUXJSCGDKSZCSK-CVEARBPZSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376707 215131148 /nfs/dbraw/zinc/13/11/48/215131148.db2.gz JUXJSCGDKSZCSK-CVEARBPZSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376707 215131149 /nfs/dbraw/zinc/13/11/49/215131149.db2.gz JUXJSCGDKSZCSK-CVEARBPZSA-N 2 1 290.426 3.489 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)o1 ZINC000624122236 349980783 /nfs/dbraw/zinc/98/07/83/349980783.db2.gz MYCYDKVKLLHXHZ-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)o1 ZINC000624122236 349980785 /nfs/dbraw/zinc/98/07/85/349980785.db2.gz MYCYDKVKLLHXHZ-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000624123054 349981894 /nfs/dbraw/zinc/98/18/94/349981894.db2.gz DVBCLHFYWJNLJT-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000624122983 349981752 /nfs/dbraw/zinc/98/17/52/349981752.db2.gz CHXXXSFOYBPITN-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC000414733220 297251186 /nfs/dbraw/zinc/25/11/86/297251186.db2.gz DIWNXAYYENAQFG-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123466 349982649 /nfs/dbraw/zinc/98/26/49/349982649.db2.gz MHWOIUAJFORCCD-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000606911938 348207436 /nfs/dbraw/zinc/20/74/36/348207436.db2.gz OFVLOEPIXGSDRM-CVEARBPZSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000606911938 348207438 /nfs/dbraw/zinc/20/74/38/348207438.db2.gz OFVLOEPIXGSDRM-CVEARBPZSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339429052 215161635 /nfs/dbraw/zinc/16/16/35/215161635.db2.gz VCDSEOWJSFVYCN-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339429052 215161637 /nfs/dbraw/zinc/16/16/37/215161637.db2.gz VCDSEOWJSFVYCN-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429052 215161639 /nfs/dbraw/zinc/16/16/39/215161639.db2.gz VCDSEOWJSFVYCN-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429052 215161641 /nfs/dbraw/zinc/16/16/41/215161641.db2.gz VCDSEOWJSFVYCN-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP C([C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC000608500395 348315403 /nfs/dbraw/zinc/31/54/03/348315403.db2.gz FUGSPSLNYDMGAD-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@@H](F)CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000339498206 215212162 /nfs/dbraw/zinc/21/21/62/215212162.db2.gz YMXWYPMUXVCNQJ-OAHLLOKOSA-N 2 1 280.431 3.482 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC1CCCC1 ZINC000358102096 233057751 /nfs/dbraw/zinc/05/77/51/233057751.db2.gz VOKJYRKSZBZEHL-KGLIPLIRSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000352006109 219285641 /nfs/dbraw/zinc/28/56/41/219285641.db2.gz SRLLIDOZJYWOBL-JKSUJKDBSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359215949 233279404 /nfs/dbraw/zinc/27/94/04/233279404.db2.gz KQHFHYWOIDEVFZ-GFCCVEGCSA-N 2 1 282.378 3.347 20 0 CGADMP Fc1cccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359227284 233282234 /nfs/dbraw/zinc/28/22/34/233282234.db2.gz WGNAXNOPZMEVDR-KRWDZBQOSA-N 2 1 276.399 3.352 20 0 CGADMP CC[N@@H+](CCOC1CCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063926 350254865 /nfs/dbraw/zinc/25/48/65/350254865.db2.gz VOQXTQFTNNVTRG-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC2(CC2)CC1 ZINC000626113752 350263115 /nfs/dbraw/zinc/26/31/15/350263115.db2.gz FCJPTGKRABHPEQ-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCC2(CC2)CC1 ZINC000626113752 350263120 /nfs/dbraw/zinc/26/31/20/350263120.db2.gz FCJPTGKRABHPEQ-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCC2(CC2)CC1 ZINC000626113752 350263123 /nfs/dbraw/zinc/26/31/23/350263123.db2.gz FCJPTGKRABHPEQ-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000626164259 350276084 /nfs/dbraw/zinc/27/60/84/350276084.db2.gz ZSEJYGUCYZJHHK-MJSXRHKHSA-N 2 1 261.413 3.260 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000626164259 350276088 /nfs/dbraw/zinc/27/60/88/350276088.db2.gz ZSEJYGUCYZJHHK-MJSXRHKHSA-N 2 1 261.413 3.260 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000352123209 219328696 /nfs/dbraw/zinc/32/86/96/219328696.db2.gz LKOHTMXRVSCWMQ-OWCLPIDISA-N 2 1 290.451 3.176 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000352123209 219328698 /nfs/dbraw/zinc/32/86/98/219328698.db2.gz LKOHTMXRVSCWMQ-OWCLPIDISA-N 2 1 290.451 3.176 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190502 350433674 /nfs/dbraw/zinc/43/36/74/350433674.db2.gz IDVRXTBPZOMERR-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190502 350433677 /nfs/dbraw/zinc/43/36/77/350433677.db2.gz IDVRXTBPZOMERR-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190502 350433680 /nfs/dbraw/zinc/43/36/80/350433680.db2.gz IDVRXTBPZOMERR-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000628140817 350408892 /nfs/dbraw/zinc/40/88/92/350408892.db2.gz YYLTZJZGGYMSDY-IAGOWNOFSA-N 2 1 274.452 3.372 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000628140817 350408897 /nfs/dbraw/zinc/40/88/97/350408897.db2.gz YYLTZJZGGYMSDY-IAGOWNOFSA-N 2 1 274.452 3.372 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000628140817 350408901 /nfs/dbraw/zinc/40/89/01/350408901.db2.gz YYLTZJZGGYMSDY-IAGOWNOFSA-N 2 1 274.452 3.372 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628204606 350439411 /nfs/dbraw/zinc/43/94/11/350439411.db2.gz FRWJAKDSQNWIPR-CVEARBPZSA-N 2 1 260.425 3.030 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425887 350536831 /nfs/dbraw/zinc/53/68/31/350536831.db2.gz YKKXTEUQBRZMCC-ZIAGYGMSSA-N 2 1 296.405 3.390 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000629527707 350703235 /nfs/dbraw/zinc/70/32/35/350703235.db2.gz CYBLQWAYEJJQSO-VBNZEHGJSA-N 2 1 272.392 3.094 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000629536872 350705769 /nfs/dbraw/zinc/70/57/69/350705769.db2.gz GRSVUFJKTCXSOE-WBAXXEDZSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C[NH2+]1 ZINC000629543111 350708805 /nfs/dbraw/zinc/70/88/05/350708805.db2.gz TVCZOBCKSOFJOH-XBVQOTNRSA-N 2 1 272.436 3.299 20 0 CGADMP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544709 350709174 /nfs/dbraw/zinc/70/91/74/350709174.db2.gz LWXAERLUASCHRF-NUEKZKHPSA-N 2 1 278.465 3.143 20 0 CGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000629575275 350713494 /nfs/dbraw/zinc/71/34/94/350713494.db2.gz NNRKSXCUKFKTDD-BBRMVZONSA-N 2 1 276.399 3.003 20 0 CGADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000629571816 350713921 /nfs/dbraw/zinc/71/39/21/350713921.db2.gz RJKCIEKQFYYLAA-HNNXBMFYSA-N 2 1 286.419 3.069 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2c1 ZINC000629518907 350700595 /nfs/dbraw/zinc/70/05/95/350700595.db2.gz MSXJRXSACWVUFX-JQHSSLGASA-N 2 1 295.430 3.102 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]C1 ZINC000629649616 350730246 /nfs/dbraw/zinc/73/02/46/350730246.db2.gz DMNKAFXVPUVOGW-RHSMWYFYSA-N 2 1 294.389 3.144 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]C1 ZINC000629649616 350730249 /nfs/dbraw/zinc/73/02/49/350730249.db2.gz DMNKAFXVPUVOGW-RHSMWYFYSA-N 2 1 294.389 3.144 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2csc(C)c2C)C1 ZINC000631056310 350939170 /nfs/dbraw/zinc/93/91/70/350939170.db2.gz GILSUNXURYVIJF-CQSZACIVSA-N 2 1 266.454 3.186 20 0 CGADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631564257 351067930 /nfs/dbraw/zinc/06/79/30/351067930.db2.gz GVCVYESMDDCABL-SFHVURJKSA-N 2 1 287.451 3.171 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC000631571803 351071785 /nfs/dbraw/zinc/07/17/85/351071785.db2.gz IRTOJQDORZVROS-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCc1c[nH+]cn1C ZINC000631622254 351093623 /nfs/dbraw/zinc/09/36/23/351093623.db2.gz PGKKSDNEOONNAE-AWEZNQCLSA-N 2 1 296.418 3.055 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891355 351152700 /nfs/dbraw/zinc/15/27/00/351152700.db2.gz YBAAVPHJDILKNU-GDBMZVCRSA-N 2 1 270.376 3.007 20 0 CGADMP c1cnc2cccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)c2c1 ZINC000634687187 351572531 /nfs/dbraw/zinc/57/25/31/351572531.db2.gz AUIFRAPHFILLEP-UHFFFAOYSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1cc(C)c(CN2CC[C@H](C[NH3+])c3ccccc32)c(C)[nH+]1 ZINC000634690719 351574743 /nfs/dbraw/zinc/57/47/43/351574743.db2.gz RKERCSKWRLUOJH-MRXNPFEDSA-N 2 1 295.430 3.459 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000291475181 198031371 /nfs/dbraw/zinc/03/13/71/198031371.db2.gz PTPDXUARZCRLAE-XJKSGUPXSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCc2cccc(Cl)c2)CC[N@H+]1C ZINC000291475181 198031373 /nfs/dbraw/zinc/03/13/73/198031373.db2.gz PTPDXUARZCRLAE-XJKSGUPXSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCc2cccc(Cl)c2)CC[NH+]1C ZINC000291475181 198031375 /nfs/dbraw/zinc/03/13/75/198031375.db2.gz PTPDXUARZCRLAE-XJKSGUPXSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCc2cccc(Cl)c2)CC[NH+]1C ZINC000291475181 198031376 /nfs/dbraw/zinc/03/13/76/198031376.db2.gz PTPDXUARZCRLAE-XJKSGUPXSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1F ZINC000635011852 351629668 /nfs/dbraw/zinc/62/96/68/351629668.db2.gz PSKONXVAOKLCID-CHWSQXEVSA-N 2 1 264.388 3.255 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333871 303112411 /nfs/dbraw/zinc/11/24/11/303112411.db2.gz TXBUZPFMIQRLQI-OLZOCXBDSA-N 2 1 278.362 3.041 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000292053991 198147367 /nfs/dbraw/zinc/14/73/67/198147367.db2.gz BUXVOGDMLIVSPD-ZWKOTPCHSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000292053991 198147368 /nfs/dbraw/zinc/14/73/68/198147368.db2.gz BUXVOGDMLIVSPD-ZWKOTPCHSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCc4ccccc43)C2)C1 ZINC000292053991 198147370 /nfs/dbraw/zinc/14/73/70/198147370.db2.gz BUXVOGDMLIVSPD-ZWKOTPCHSA-N 2 1 270.420 3.092 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCc2[nH]cnc2C1)CC1CCCCC1 ZINC000368089209 234279664 /nfs/dbraw/zinc/27/96/64/234279664.db2.gz KFRKCFQTOIBAAD-ZFWWWQNUSA-N 2 1 275.440 3.463 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000368099574 234280733 /nfs/dbraw/zinc/28/07/33/234280733.db2.gz GFKJXPBKTRMDEI-BXWFABGCSA-N 2 1 295.430 3.367 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152365529 188013458 /nfs/dbraw/zinc/01/34/58/188013458.db2.gz PMVYRMOBRBVNMC-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152365529 188013459 /nfs/dbraw/zinc/01/34/59/188013459.db2.gz PMVYRMOBRBVNMC-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152365529 188013460 /nfs/dbraw/zinc/01/34/60/188013460.db2.gz PMVYRMOBRBVNMC-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CCc1nccn1CCCCCn1cc[nH+]c1CC ZINC000155391973 188202624 /nfs/dbraw/zinc/20/26/24/188202624.db2.gz DBNXPXMJEJJRIY-UHFFFAOYSA-N 2 1 260.385 3.075 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000292535752 198323927 /nfs/dbraw/zinc/32/39/27/198323927.db2.gz XIQZMJGKZVBDQH-CZUORRHYSA-N 2 1 296.480 3.072 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCSCc2ccccc2F)CC[N@H+]1C ZINC000158769677 188392881 /nfs/dbraw/zinc/39/28/81/188392881.db2.gz CTRRUTJTSIVPCI-DZGCQCFKSA-N 2 1 296.455 3.131 20 0 CGADMP COCCC[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411190703 235036522 /nfs/dbraw/zinc/03/65/22/235036522.db2.gz AJGDILFJRMOYCG-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000271842354 191361078 /nfs/dbraw/zinc/36/10/78/191361078.db2.gz KXRBVEBLSZSUKF-QAPCUYQASA-N 2 1 290.451 3.184 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271894448 191395811 /nfs/dbraw/zinc/39/58/11/191395811.db2.gz SYIUNYXGDVHHTO-GFCCVEGCSA-N 2 1 293.480 3.487 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000271858900 191372765 /nfs/dbraw/zinc/37/27/65/191372765.db2.gz VLBFXHIQSSRDBW-UHFFFAOYSA-N 2 1 285.218 3.345 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414171293 235353166 /nfs/dbraw/zinc/35/31/66/235353166.db2.gz DCMJSHWDWMIXNC-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP Cc1cc(C)cc(OCCC[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420372958 235745029 /nfs/dbraw/zinc/74/50/29/235745029.db2.gz YPAXYJUBRIHCPE-MRXNPFEDSA-N 2 1 278.440 3.035 20 0 CGADMP CCCC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594860 138343183 /nfs/dbraw/zinc/34/31/83/138343183.db2.gz GVUTUDRMOMPBEN-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)ccc1F ZINC000093516506 138347110 /nfs/dbraw/zinc/34/71/10/138347110.db2.gz GWGPKSQEKIRJDV-WFASDCNBSA-N 2 1 282.378 3.365 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000109347866 138361770 /nfs/dbraw/zinc/36/17/70/138361770.db2.gz ROYQCRLAFZGGLD-CQSZACIVSA-N 2 1 278.399 3.298 20 0 CGADMP Clc1ccc2c(NCC[C@@H]3CC[NH2+]C3)cc[nH+]c2c1 ZINC000110798794 138363390 /nfs/dbraw/zinc/36/33/90/138363390.db2.gz IRPFNAYRAWKWCS-NSHDSACASA-N 2 1 275.783 3.300 20 0 CGADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CCCCn2ccnc2C)C1(C)C ZINC000124789206 138378202 /nfs/dbraw/zinc/37/82/02/138378202.db2.gz GZCKTHKURNFTTM-NVXWUHKLSA-N 2 1 293.455 3.107 20 0 CGADMP CO[C@]1(C)C[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124789206 138378203 /nfs/dbraw/zinc/37/82/03/138378203.db2.gz GZCKTHKURNFTTM-NVXWUHKLSA-N 2 1 293.455 3.107 20 0 CGADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124789206 138378204 /nfs/dbraw/zinc/37/82/04/138378204.db2.gz GZCKTHKURNFTTM-NVXWUHKLSA-N 2 1 293.455 3.107 20 0 CGADMP CCCOc1cccc(C[N@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000125259846 138380978 /nfs/dbraw/zinc/38/09/78/138380978.db2.gz WIXWQEHTVQIYJG-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000125259846 138380979 /nfs/dbraw/zinc/38/09/79/138380979.db2.gz WIXWQEHTVQIYJG-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423398260 297287549 /nfs/dbraw/zinc/28/75/49/297287549.db2.gz VEGBWEMAKGPVPU-ZLDLUXBVSA-N 2 1 294.826 3.284 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000482163649 535358820 /nfs/dbraw/zinc/35/88/20/535358820.db2.gz LWCBBOGIAUZVMC-IXDOHACOSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000482163649 535358823 /nfs/dbraw/zinc/35/88/23/535358823.db2.gz LWCBBOGIAUZVMC-IXDOHACOSA-N 2 1 264.457 3.443 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423220176 236000020 /nfs/dbraw/zinc/00/00/20/236000020.db2.gz XQRSSCSECPZUMB-RAQOOLMWSA-N 2 1 294.826 3.282 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000423234890 236004050 /nfs/dbraw/zinc/00/40/50/236004050.db2.gz MMEMYABUBHAPBQ-AVGNSLFASA-N 2 1 289.448 3.130 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423277659 236019721 /nfs/dbraw/zinc/01/97/21/236019721.db2.gz PQHOXVSHEBLJJY-PWSUYJOCSA-N 2 1 283.485 3.383 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423278109 236019837 /nfs/dbraw/zinc/01/98/37/236019837.db2.gz PKKQZQKMMBVTTH-ZETOZRRWSA-N 2 1 266.816 3.159 20 0 CGADMP Clc1cccc([C@H]2CC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)c1 ZINC000423300509 236030921 /nfs/dbraw/zinc/03/09/21/236030921.db2.gz FASJHPNWUMQGEP-BPUTZDHNSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423315466 236036173 /nfs/dbraw/zinc/03/61/73/236036173.db2.gz ITRLBBIOIPQTIE-ISVAXAHUSA-N 2 1 273.207 3.381 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423328867 236040053 /nfs/dbraw/zinc/04/00/53/236040053.db2.gz SNBMNGLUXWZDFG-TVQRCGJNSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000423331224 236041274 /nfs/dbraw/zinc/04/12/74/236041274.db2.gz PYBUGYLPTJHNQD-VXGBXAGGSA-N 2 1 260.406 3.413 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423387991 236060071 /nfs/dbraw/zinc/06/00/71/236060071.db2.gz MKENIXFKBNFTRW-NVXWUHKLSA-N 2 1 289.467 3.161 20 0 CGADMP Clc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1Cl ZINC000423419935 236068327 /nfs/dbraw/zinc/06/83/27/236068327.db2.gz BGIXAHHKEQDWOY-BVIHXZOGSA-N 2 1 297.229 3.252 20 0 CGADMP Cc1cc(F)c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c(F)c1 ZINC000425374318 236240815 /nfs/dbraw/zinc/24/08/15/236240815.db2.gz WXRPPNNYWWZQOE-QGZVFWFLSA-N 2 1 294.389 3.191 20 0 CGADMP FC(F)(F)c1cscc1C[NH2+]CCC[NH+]1CCCC1 ZINC000352823136 219662559 /nfs/dbraw/zinc/66/25/59/219662559.db2.gz LTWSFZZEJQVWOX-UHFFFAOYSA-N 2 1 292.370 3.342 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccnc1 ZINC000092739333 299289173 /nfs/dbraw/zinc/28/91/73/299289173.db2.gz LYCCBXFHIPHDIQ-CVEARBPZSA-N 2 1 275.440 3.244 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC(C)C)CCCC2)CC1 ZINC000341582013 216021723 /nfs/dbraw/zinc/02/17/23/216021723.db2.gz BXCIFDWMXHPTLG-INIZCTEOSA-N 2 1 296.499 3.434 20 0 CGADMP c1c2ccccc2oc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298324399 200395247 /nfs/dbraw/zinc/39/52/47/200395247.db2.gz INFRZZPQYYIPKY-UHFFFAOYSA-N 2 1 284.403 3.192 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000341855770 216128249 /nfs/dbraw/zinc/12/82/49/216128249.db2.gz XIPHILXCHNVNGZ-UHFFFAOYSA-N 2 1 287.382 3.390 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C1CC1 ZINC000177213947 189036805 /nfs/dbraw/zinc/03/68/05/189036805.db2.gz QTPFCVVBSAPOGR-AWEZNQCLSA-N 2 1 260.425 3.415 20 0 CGADMP CCN(CC[C@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000178441978 189116855 /nfs/dbraw/zinc/11/68/55/189116855.db2.gz CCDMCWCWMDTVEV-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000178441978 189116858 /nfs/dbraw/zinc/11/68/58/189116858.db2.gz CCDMCWCWMDTVEV-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000178441978 189116859 /nfs/dbraw/zinc/11/68/59/189116859.db2.gz CCDMCWCWMDTVEV-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1C ZINC000178702455 189138895 /nfs/dbraw/zinc/13/88/95/189138895.db2.gz IMAKNSDZYKPGEO-GOEBONIOSA-N 2 1 285.435 3.357 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-n2cccn2)cc1 ZINC000180855448 189280119 /nfs/dbraw/zinc/28/01/19/189280119.db2.gz KIOWFWMMDBCMSN-NVXWUHKLSA-N 2 1 298.434 3.007 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccccc2)CC[N@H+]1C ZINC000180955346 189285314 /nfs/dbraw/zinc/28/53/14/189285314.db2.gz INLAPHRNSKVUCJ-NVXWUHKLSA-N 2 1 274.452 3.328 20 0 CGADMP Cc1cccc(CCC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000181134215 189289041 /nfs/dbraw/zinc/28/90/41/189289041.db2.gz XADQTPBENYZKOJ-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181134215 189289042 /nfs/dbraw/zinc/28/90/42/189289042.db2.gz XADQTPBENYZKOJ-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181134215 189289043 /nfs/dbraw/zinc/28/90/43/189289043.db2.gz XADQTPBENYZKOJ-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000181134215 189289044 /nfs/dbraw/zinc/28/90/44/189289044.db2.gz XADQTPBENYZKOJ-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000181134215 189289045 /nfs/dbraw/zinc/28/90/45/189289045.db2.gz XADQTPBENYZKOJ-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000181134197 189289255 /nfs/dbraw/zinc/28/92/55/189289255.db2.gz XADQTPBENYZKOJ-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181134197 189289256 /nfs/dbraw/zinc/28/92/56/189289256.db2.gz XADQTPBENYZKOJ-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181134197 189289257 /nfs/dbraw/zinc/28/92/57/189289257.db2.gz XADQTPBENYZKOJ-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000181134197 189289258 /nfs/dbraw/zinc/28/92/58/189289258.db2.gz XADQTPBENYZKOJ-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000181134197 189289259 /nfs/dbraw/zinc/28/92/59/189289259.db2.gz XADQTPBENYZKOJ-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000181290529 189293540 /nfs/dbraw/zinc/29/35/40/189293540.db2.gz DVJUVUBKPXFTLY-FUHWJXTLSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449073298 239158678 /nfs/dbraw/zinc/15/86/78/239158678.db2.gz HVUIDTFNZOSWDH-HUUCEWRRSA-N 2 1 298.430 3.438 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccoc3)CC2)[nH+]c1 ZINC000449162173 239212184 /nfs/dbraw/zinc/21/21/84/239212184.db2.gz ICLPOKKJLCUPIA-HNNXBMFYSA-N 2 1 299.418 3.173 20 0 CGADMP C[C@@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451373602 240288328 /nfs/dbraw/zinc/28/83/28/240288328.db2.gz RZGZUSXRMATJRA-XDNAFOTISA-N 2 1 274.452 3.006 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1Cl ZINC000275353211 193007457 /nfs/dbraw/zinc/00/74/57/193007457.db2.gz AERCOTSACKCODP-CHWSQXEVSA-N 2 1 289.810 3.450 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275486400 193055465 /nfs/dbraw/zinc/05/54/65/193055465.db2.gz IRZMIMFLOKZGRB-MSOLQXFVSA-N 2 1 297.446 3.447 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275632494 193090846 /nfs/dbraw/zinc/09/08/46/193090846.db2.gz SMJMPHJBCTVNBV-IAGOWNOFSA-N 2 1 283.419 3.056 20 0 CGADMP c1ccc2c(c1)CC(CC[NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000459449134 242113444 /nfs/dbraw/zinc/11/34/44/242113444.db2.gz IWVUOPSLIWQKLV-UHFFFAOYSA-N 2 1 284.447 3.008 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000335543940 212244233 /nfs/dbraw/zinc/24/42/33/212244233.db2.gz NQCBRUOKZSLBLM-CYBMUJFWSA-N 2 1 293.480 3.231 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000340440632 291390397 /nfs/dbraw/zinc/39/03/97/291390397.db2.gz PVCBNEXYFHRPCC-YDZRNGNQSA-N 2 1 284.447 3.397 20 0 CGADMP CCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000480712665 243161235 /nfs/dbraw/zinc/16/12/35/243161235.db2.gz KJCHJVVSQNHVKW-QAPCUYQASA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000485265967 243329892 /nfs/dbraw/zinc/32/98/92/243329892.db2.gz CGPMBCQHOOSDFZ-BBRMVZONSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000485265967 243329894 /nfs/dbraw/zinc/32/98/94/243329894.db2.gz CGPMBCQHOOSDFZ-BBRMVZONSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccc(Cl)cc2)CC[NH+]1C ZINC000485265967 243329896 /nfs/dbraw/zinc/32/98/96/243329896.db2.gz CGPMBCQHOOSDFZ-BBRMVZONSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(Cl)cc2)CC[NH+]1C ZINC000485265967 243329901 /nfs/dbraw/zinc/32/99/01/243329901.db2.gz CGPMBCQHOOSDFZ-BBRMVZONSA-N 2 1 280.843 3.297 20 0 CGADMP C[N@@H+](CCC[NH2+]C/C=C/c1ccncc1)C1CCCCC1 ZINC000486925361 243380153 /nfs/dbraw/zinc/38/01/53/243380153.db2.gz FKICGMNQDPFDEX-FNORWQNLSA-N 2 1 287.451 3.339 20 0 CGADMP CCOc1ccc(CNC[C@H]2CCC[N@@H+](CC)C2)cc1F ZINC000486963489 243386803 /nfs/dbraw/zinc/38/68/03/243386803.db2.gz GOIOJHZJSBWEPW-OAHLLOKOSA-N 2 1 294.414 3.046 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1F ZINC000486963489 243386812 /nfs/dbraw/zinc/38/68/12/243386812.db2.gz GOIOJHZJSBWEPW-OAHLLOKOSA-N 2 1 294.414 3.046 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125158134 370931042 /nfs/dbraw/zinc/93/10/42/370931042.db2.gz XITCONNGJNIAKC-NJAFHUGGSA-N 2 1 272.436 3.349 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1F ZINC000019905935 368778560 /nfs/dbraw/zinc/77/85/60/368778560.db2.gz VXHMBKVPNZOEOP-GFCCVEGCSA-N 2 1 282.403 3.073 20 0 CGADMP CC(C)[C@H](C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC000019990821 368792328 /nfs/dbraw/zinc/79/23/28/368792328.db2.gz ODNKMIPDMRREFY-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000036997012 369048354 /nfs/dbraw/zinc/04/83/54/369048354.db2.gz DAIWEKBTOAOYMR-DQVOVIAYSA-N 2 1 288.410 3.288 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000036997012 369048359 /nfs/dbraw/zinc/04/83/59/369048359.db2.gz DAIWEKBTOAOYMR-DQVOVIAYSA-N 2 1 288.410 3.288 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036937385 369041710 /nfs/dbraw/zinc/04/17/10/369041710.db2.gz XJHAWKONRYRDRZ-CYBMUJFWSA-N 2 1 280.843 3.345 20 0 CGADMP Cc1ccc(C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000037141046 369067415 /nfs/dbraw/zinc/06/74/15/369067415.db2.gz HDINGOCDPYQFDD-UHFFFAOYSA-N 2 1 284.447 3.457 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1OC ZINC000037197124 369075826 /nfs/dbraw/zinc/07/58/26/369075826.db2.gz OXLPWJQQQWMVIE-OAHLLOKOSA-N 2 1 278.440 3.324 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000037643953 369093595 /nfs/dbraw/zinc/09/35/95/369093595.db2.gz BVKBRCKFCWOLQC-UKRRQHHQSA-N 2 1 276.449 3.155 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccnc1 ZINC000037901100 369124126 /nfs/dbraw/zinc/12/41/26/369124126.db2.gz KSLREGVRLFRRHW-OAHLLOKOSA-N 2 1 275.440 3.387 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccnc1 ZINC000037901100 369124130 /nfs/dbraw/zinc/12/41/30/369124130.db2.gz KSLREGVRLFRRHW-OAHLLOKOSA-N 2 1 275.440 3.387 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)C ZINC000343542628 216815042 /nfs/dbraw/zinc/81/50/42/216815042.db2.gz XZNRURFYSHCXBT-QGZVFWFLSA-N 2 1 298.515 3.274 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000495051062 244348841 /nfs/dbraw/zinc/34/88/41/244348841.db2.gz UZPDVSUHJSSJBN-JJRVBVJISA-N 2 1 260.425 3.272 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)cc1C ZINC000495108149 244357380 /nfs/dbraw/zinc/35/73/80/244357380.db2.gz LFYFLARGOJOHNT-SJLPKXTDSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1C ZINC000495108149 244357383 /nfs/dbraw/zinc/35/73/83/244357383.db2.gz LFYFLARGOJOHNT-SJLPKXTDSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1C ZINC000495108149 244357386 /nfs/dbraw/zinc/35/73/86/244357386.db2.gz LFYFLARGOJOHNT-SJLPKXTDSA-N 2 1 272.436 3.138 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccsc1 ZINC000050338845 369436439 /nfs/dbraw/zinc/43/64/39/369436439.db2.gz JEPJYPBCCGZVRI-CYBMUJFWSA-N 2 1 252.427 3.275 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)C1CCCC1)[NH+]1CCCC1 ZINC000054077898 369493068 /nfs/dbraw/zinc/49/30/68/369493068.db2.gz GWYQTEUBDIUKLR-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128981531 370968130 /nfs/dbraw/zinc/96/81/30/370968130.db2.gz JWCRSVSDEXIGNM-WBVHZDCISA-N 2 1 290.451 3.294 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128981531 370968140 /nfs/dbraw/zinc/96/81/40/370968140.db2.gz JWCRSVSDEXIGNM-WBVHZDCISA-N 2 1 290.451 3.294 20 0 CGADMP c1[nH]nc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc12 ZINC000129206234 370978675 /nfs/dbraw/zinc/97/86/75/370978675.db2.gz RSLGBVCEPOVQPY-KRWDZBQOSA-N 2 1 298.434 3.013 20 0 CGADMP c1[nH]nc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc12 ZINC000129206234 370978679 /nfs/dbraw/zinc/97/86/79/370978679.db2.gz RSLGBVCEPOVQPY-KRWDZBQOSA-N 2 1 298.434 3.013 20 0 CGADMP c1[nH]nc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc12 ZINC000129206483 370979384 /nfs/dbraw/zinc/97/93/84/370979384.db2.gz RSLGBVCEPOVQPY-QGZVFWFLSA-N 2 1 298.434 3.013 20 0 CGADMP c1[nH]nc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc12 ZINC000129206483 370979388 /nfs/dbraw/zinc/97/93/88/370979388.db2.gz RSLGBVCEPOVQPY-QGZVFWFLSA-N 2 1 298.434 3.013 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000062014515 369613797 /nfs/dbraw/zinc/61/37/97/369613797.db2.gz WYYIJICWHFFBKR-LBPRGKRZSA-N 2 1 266.816 3.332 20 0 CGADMP Fc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc(F)c1F ZINC000063197401 369643986 /nfs/dbraw/zinc/64/39/86/369643986.db2.gz JJJIIUHNKBHEJT-HNNXBMFYSA-N 2 1 298.352 3.068 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000068691586 369746354 /nfs/dbraw/zinc/74/63/54/369746354.db2.gz FSTKYAPKRDYKRP-GFCCVEGCSA-N 2 1 289.448 3.431 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000070148474 369781602 /nfs/dbraw/zinc/78/16/02/369781602.db2.gz UOGFSQVMMAICAM-AWEZNQCLSA-N 2 1 252.789 3.043 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000070148474 369781605 /nfs/dbraw/zinc/78/16/05/369781605.db2.gz UOGFSQVMMAICAM-AWEZNQCLSA-N 2 1 252.789 3.043 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169806 369786762 /nfs/dbraw/zinc/78/67/62/369786762.db2.gz IUPFEISZYYIURW-CHWSQXEVSA-N 2 1 266.816 3.462 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000075206863 369899537 /nfs/dbraw/zinc/89/95/37/369899537.db2.gz PTSZIVGZDVYCTM-ALOPSCKCSA-N 2 1 258.409 3.018 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000092043473 370090296 /nfs/dbraw/zinc/09/02/96/370090296.db2.gz CSCSQQFNORLHSH-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000092043473 370090300 /nfs/dbraw/zinc/09/03/00/370090300.db2.gz CSCSQQFNORLHSH-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000092043473 370090307 /nfs/dbraw/zinc/09/03/07/370090307.db2.gz CSCSQQFNORLHSH-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP CC1CCC([N@@H+](CC2CC[NH2+]CC2)C2CC2)CC1 ZINC000094021734 370164872 /nfs/dbraw/zinc/16/48/72/370164872.db2.gz IJMZLNSHSFYETH-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)ccc2n1 ZINC000097862703 370256200 /nfs/dbraw/zinc/25/62/00/370256200.db2.gz VIVJWMUGGDVJMT-QGZVFWFLSA-N 2 1 285.435 3.348 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@H](C)C1 ZINC000118944257 370629766 /nfs/dbraw/zinc/62/97/66/370629766.db2.gz ATCZOFCBAGQQNO-LTDKPHRXSA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129828843 371003061 /nfs/dbraw/zinc/00/30/61/371003061.db2.gz JTWLKOHHJOLUCX-DJIMGWMZSA-N 2 1 260.425 3.456 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129828843 371003070 /nfs/dbraw/zinc/00/30/70/371003070.db2.gz JTWLKOHHJOLUCX-DJIMGWMZSA-N 2 1 260.425 3.456 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000132195382 371157562 /nfs/dbraw/zinc/15/75/62/371157562.db2.gz UJTWDDWHBVBEFG-JCURWCKSSA-N 2 1 252.361 3.482 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c2ccccc12 ZINC000132215570 371159654 /nfs/dbraw/zinc/15/96/54/371159654.db2.gz MWLDMZYSKCCDMF-KGLIPLIRSA-N 2 1 284.403 3.018 20 0 CGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC[NH3+] ZINC000133228300 371237696 /nfs/dbraw/zinc/23/76/96/371237696.db2.gz WYDFKDXOPMDTJT-SECBINFHSA-N 2 1 261.196 3.335 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000134091047 371301632 /nfs/dbraw/zinc/30/16/32/371301632.db2.gz SXOZWWHRHMGNCC-ZACQAIPSSA-N 2 1 264.457 3.300 20 0 CGADMP CSCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135189257 371400124 /nfs/dbraw/zinc/40/01/24/371400124.db2.gz PQERIBDCUHGWHQ-UHFFFAOYSA-N 2 1 292.492 3.384 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134865008 371370464 /nfs/dbraw/zinc/37/04/64/371370464.db2.gz BTCXMKNJNRPEFQ-MJGOQNOKSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134865008 371370465 /nfs/dbraw/zinc/37/04/65/371370465.db2.gz BTCXMKNJNRPEFQ-MJGOQNOKSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134865008 371370469 /nfs/dbraw/zinc/37/04/69/371370469.db2.gz BTCXMKNJNRPEFQ-MJGOQNOKSA-N 2 1 284.447 3.444 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136480050 371477788 /nfs/dbraw/zinc/47/77/88/371477788.db2.gz IFVJHDIALSONTJ-HNNXBMFYSA-N 2 1 278.440 3.035 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136480050 371477793 /nfs/dbraw/zinc/47/77/93/371477793.db2.gz IFVJHDIALSONTJ-HNNXBMFYSA-N 2 1 278.440 3.035 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000149413601 371527782 /nfs/dbraw/zinc/52/77/82/371527782.db2.gz WTLNXHNORRGAMN-GUYCJALGSA-N 2 1 258.409 3.309 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000149572981 371529011 /nfs/dbraw/zinc/52/90/11/371529011.db2.gz COSNFTYCBVFRKJ-IJEWVQPXSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCCCC1 ZINC000149917271 371530923 /nfs/dbraw/zinc/53/09/23/371530923.db2.gz XERRWJLAEXZRQA-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CC1(C)CN(CCn2ccnc2)[C@H]1c1cccs1 ZINC000286718688 371543194 /nfs/dbraw/zinc/54/31/94/371543194.db2.gz GEUPFPUOHLQDTG-ZDUSSCGKSA-N 2 1 261.394 3.028 20 0 CGADMP CCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151038458 371560616 /nfs/dbraw/zinc/56/06/16/371560616.db2.gz DXCCVPOQQXQDRG-UHFFFAOYSA-N 2 1 278.415 3.222 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000151143877 371576530 /nfs/dbraw/zinc/57/65/30/371576530.db2.gz ASQALWUWDBDUMX-IYOUNJFTSA-N 2 1 290.426 3.381 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344033821 217020009 /nfs/dbraw/zinc/02/00/09/217020009.db2.gz FWEBQQWTQLZKPP-MRXNPFEDSA-N 2 1 261.413 3.260 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344033821 217020013 /nfs/dbraw/zinc/02/00/13/217020013.db2.gz FWEBQQWTQLZKPP-MRXNPFEDSA-N 2 1 261.413 3.260 20 0 CGADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087124 371601514 /nfs/dbraw/zinc/60/15/14/371601514.db2.gz PCFAHZQTLQRSQW-JYJNAYRXSA-N 2 1 298.434 3.006 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000152007266 371663937 /nfs/dbraw/zinc/66/39/37/371663937.db2.gz GWJYYVMMPYTGST-NUJGCVRESA-N 2 1 274.452 3.418 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805324 371636026 /nfs/dbraw/zinc/63/60/26/371636026.db2.gz FXNSRCKHSSOOGK-FFSVYQOJSA-N 2 1 282.378 3.488 20 0 CGADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000421814088 371638433 /nfs/dbraw/zinc/63/84/33/371638433.db2.gz INNUBZUJBZRHQO-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2(OC)CCCCC2)C1 ZINC000421823299 371644563 /nfs/dbraw/zinc/64/45/63/371644563.db2.gz CRFMMWLPWDGVMU-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CN(Cc1ncc(-c2ccccc2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152466488 371697901 /nfs/dbraw/zinc/69/79/01/371697901.db2.gz DXOULRIVXTVUIV-HNNXBMFYSA-N 2 1 299.418 3.115 20 0 CGADMP FC(F)(F)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422706289 371762441 /nfs/dbraw/zinc/76/24/41/371762441.db2.gz DURRHJJMUXQCJO-KGLIPLIRSA-N 2 1 286.341 3.412 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422717022 371765788 /nfs/dbraw/zinc/76/57/88/371765788.db2.gz NZWKCNPEQDNUSQ-CVEARBPZSA-N 2 1 276.424 3.223 20 0 CGADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1C ZINC000422763227 371792683 /nfs/dbraw/zinc/79/26/83/371792683.db2.gz OPHOELIRJLNEKH-MAUKXSAKSA-N 2 1 298.430 3.052 20 0 CGADMP C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000422727408 371770507 /nfs/dbraw/zinc/77/05/07/371770507.db2.gz CHJYJUSEXOLAKT-NSHDSACASA-N 2 1 275.783 3.041 20 0 CGADMP CC(C)(C)c1csc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000422732702 371772974 /nfs/dbraw/zinc/77/29/74/371772974.db2.gz AIGGRRFSUZXNQP-NEPJUHHUSA-N 2 1 281.469 3.048 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(F)cc1 ZINC000422738386 371778253 /nfs/dbraw/zinc/77/82/53/371778253.db2.gz JQGZRXJPHNFAGW-NEPJUHHUSA-N 2 1 273.355 3.088 20 0 CGADMP c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422748999 371782555 /nfs/dbraw/zinc/78/25/55/371782555.db2.gz WZEWWBKPEBGOAD-ZWKOTPCHSA-N 2 1 266.388 3.270 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000422749355 371782941 /nfs/dbraw/zinc/78/29/41/371782941.db2.gz YTNUVPCLXDRLMQ-SDDRHHMPSA-N 2 1 268.351 3.004 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000422761581 371789833 /nfs/dbraw/zinc/78/98/33/371789833.db2.gz MWWZPAPGLBJHGS-XJKSGUPXSA-N 2 1 278.415 3.224 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422828651 371831515 /nfs/dbraw/zinc/83/15/15/371831515.db2.gz ORZAKSRJHZIHDB-KFWWJZLASA-N 2 1 296.361 3.135 20 0 CGADMP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422771882 371797177 /nfs/dbraw/zinc/79/71/77/371797177.db2.gz RUUPOFQKAKEIMK-WFASDCNBSA-N 2 1 278.827 3.102 20 0 CGADMP C[C@H]([NH2+]CCc1ccccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000422777062 371798573 /nfs/dbraw/zinc/79/85/73/371798573.db2.gz FBLMMNCRTBOXHM-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422874315 371848247 /nfs/dbraw/zinc/84/82/47/371848247.db2.gz NIMPZWYNVJGLBY-INIZCTEOSA-N 2 1 276.424 3.016 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1F ZINC000422915016 371865738 /nfs/dbraw/zinc/86/57/38/371865738.db2.gz AGYJBMPRCCLECB-GYVWXKFASA-N 2 1 280.362 3.289 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000422953971 371891718 /nfs/dbraw/zinc/89/17/18/371891718.db2.gz GSGLOHDMNMQQMN-OUAUKWLOSA-N 2 1 286.341 3.143 20 0 CGADMP C[C@@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423020678 371918718 /nfs/dbraw/zinc/91/87/18/371918718.db2.gz COOIUQSLVLLFPT-OMNBBPDLSA-N 2 1 258.409 3.040 20 0 CGADMP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423040879 371928406 /nfs/dbraw/zinc/92/84/06/371928406.db2.gz VFBVVIKQDWRURK-JIMOISOXSA-N 2 1 272.314 3.452 20 0 CGADMP C[C@H]([NH2+]C1CC(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423093911 371958963 /nfs/dbraw/zinc/95/89/63/371958963.db2.gz AOTJTJUBYQUNKL-CGBQZSDPSA-N 2 1 296.817 3.455 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423101920 371966369 /nfs/dbraw/zinc/96/63/69/371966369.db2.gz WMKUMTJASNOFDH-XJKSGUPXSA-N 2 1 278.465 3.071 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423117999 371977396 /nfs/dbraw/zinc/97/73/96/371977396.db2.gz YAWRAAWTNYHRSZ-HABKJSAYSA-N 2 1 276.449 3.342 20 0 CGADMP C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)[C@H]1CCC[NH2+]1 ZINC000423195292 372018847 /nfs/dbraw/zinc/01/88/47/372018847.db2.gz XOZMSURAVYLTAM-IUODEOHRSA-N 2 1 294.389 3.117 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423194988 372019286 /nfs/dbraw/zinc/01/92/86/372019286.db2.gz ZZJSNIJSESPOFX-LJQANCHMSA-N 2 1 295.430 3.147 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290593883 372024675 /nfs/dbraw/zinc/02/46/75/372024675.db2.gz VNCOXCQQCLKPCK-YJBOKZPZSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290593883 372024679 /nfs/dbraw/zinc/02/46/79/372024679.db2.gz VNCOXCQQCLKPCK-YJBOKZPZSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290593883 372024684 /nfs/dbraw/zinc/02/46/84/372024684.db2.gz VNCOXCQQCLKPCK-YJBOKZPZSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290593883 372024689 /nfs/dbraw/zinc/02/46/89/372024689.db2.gz VNCOXCQQCLKPCK-YJBOKZPZSA-N 2 1 290.451 3.246 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000423200778 372025281 /nfs/dbraw/zinc/02/52/81/372025281.db2.gz NDLPWUIDZCPDSK-CQSZACIVSA-N 2 1 276.424 3.398 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CCCCCC1 ZINC000423205476 372028148 /nfs/dbraw/zinc/02/81/48/372028148.db2.gz VUMYFOMXTCIEKD-QGZVFWFLSA-N 2 1 288.435 3.411 20 0 CGADMP CC[NH+](CC)CCSCCCCn1cc[nH+]c1C ZINC000157869335 372040061 /nfs/dbraw/zinc/04/00/61/372040061.db2.gz CYHUKOLUFSAGBD-UHFFFAOYSA-N 2 1 269.458 3.047 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2nc(CC)sc21 ZINC000423297797 372049900 /nfs/dbraw/zinc/04/99/00/372049900.db2.gz LXVMSMPTTMJCPA-NEPJUHHUSA-N 2 1 281.469 3.190 20 0 CGADMP Cc1ccc([C@H]([NH2+]CC2([NH3+])CCC2)C2CCCC2)o1 ZINC000423321336 372051426 /nfs/dbraw/zinc/05/14/26/372051426.db2.gz HFHCGLYAPCHKIR-OAHLLOKOSA-N 2 1 262.397 3.290 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423408932 372062343 /nfs/dbraw/zinc/06/23/43/372062343.db2.gz YEJWAWVAROQDDY-TYNCELHUSA-N 2 1 296.842 3.387 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)COC2 ZINC000423176669 372006406 /nfs/dbraw/zinc/00/64/06/372006406.db2.gz HSGJRAHEEYLBTQ-ZDUSSCGKSA-N 2 1 274.408 3.029 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc2c(s1)CCC2 ZINC000423501064 372069947 /nfs/dbraw/zinc/06/99/47/372069947.db2.gz KXBSWUIINGXMSP-FZMZJTMJSA-N 2 1 278.465 3.405 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000423503632 372070916 /nfs/dbraw/zinc/07/09/16/372070916.db2.gz FZHBOIZHIIFSLJ-YDZRNGNQSA-N 2 1 284.447 3.300 20 0 CGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158660255 372080454 /nfs/dbraw/zinc/08/04/54/372080454.db2.gz XZPPIYDTOGDNIZ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158660255 372080459 /nfs/dbraw/zinc/08/04/59/372080459.db2.gz XZPPIYDTOGDNIZ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158660255 372080466 /nfs/dbraw/zinc/08/04/66/372080466.db2.gz XZPPIYDTOGDNIZ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158660255 372080474 /nfs/dbraw/zinc/08/04/74/372080474.db2.gz XZPPIYDTOGDNIZ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc3ccccc3o1)CC[NH2+]CC2 ZINC000424289611 372082188 /nfs/dbraw/zinc/08/21/88/372082188.db2.gz MCQGTWWJFGTIDR-CQSZACIVSA-N 2 1 284.403 3.397 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424371271 372085743 /nfs/dbraw/zinc/08/57/43/372085743.db2.gz DIBHCQYFSIEEQE-MRXNPFEDSA-N 2 1 272.436 3.267 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000159301653 372128488 /nfs/dbraw/zinc/12/84/88/372128488.db2.gz UQZSJSUOQJLTIZ-LSDHHAIUSA-N 2 1 290.451 3.261 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292907249 372244021 /nfs/dbraw/zinc/24/40/21/372244021.db2.gz HARRHTGGSHNSDD-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292907249 372244025 /nfs/dbraw/zinc/24/40/25/372244025.db2.gz HARRHTGGSHNSDD-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292907249 372244030 /nfs/dbraw/zinc/24/40/30/372244030.db2.gz HARRHTGGSHNSDD-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292907249 372244036 /nfs/dbraw/zinc/24/40/36/372244036.db2.gz HARRHTGGSHNSDD-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000293040341 372286137 /nfs/dbraw/zinc/28/61/37/372286137.db2.gz SGTUIRAIKGGTAZ-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293040341 372286141 /nfs/dbraw/zinc/28/61/41/372286141.db2.gz SGTUIRAIKGGTAZ-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293040341 372286144 /nfs/dbraw/zinc/28/61/44/372286144.db2.gz SGTUIRAIKGGTAZ-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293040341 372286147 /nfs/dbraw/zinc/28/61/47/372286147.db2.gz SGTUIRAIKGGTAZ-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293040341 372286150 /nfs/dbraw/zinc/28/61/50/372286150.db2.gz SGTUIRAIKGGTAZ-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)c[nH]c21 ZINC000161806783 372353558 /nfs/dbraw/zinc/35/35/58/372353558.db2.gz BMIJSDNQWBWHMJ-KSSFIOAISA-N 2 1 299.462 3.203 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2csc(CCC(C)C)n2)CC1 ZINC000430924648 372406701 /nfs/dbraw/zinc/40/67/01/372406701.db2.gz BBTOOIFVODQZPR-UHFFFAOYSA-N 2 1 295.496 3.163 20 0 CGADMP C[C@@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000430956744 372410402 /nfs/dbraw/zinc/41/04/02/372410402.db2.gz PZFHRLDKPZKAQG-RHSMWYFYSA-N 2 1 290.451 3.032 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000430958684 372410474 /nfs/dbraw/zinc/41/04/74/372410474.db2.gz YWUXNPOQXLYIMD-GFCCVEGCSA-N 2 1 284.856 3.103 20 0 CGADMP C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000430972506 372411787 /nfs/dbraw/zinc/41/17/87/372411787.db2.gz QCZJAKLAGJTUGU-KDOFPFPSSA-N 2 1 268.404 3.051 20 0 CGADMP Cc1cc(NCCC[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000162715743 372414403 /nfs/dbraw/zinc/41/44/03/372414403.db2.gz JOWBHRZCMMTEEY-UHFFFAOYSA-N 2 1 269.392 3.324 20 0 CGADMP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000163559602 372479651 /nfs/dbraw/zinc/47/96/51/372479651.db2.gz BXGVAPSQCARYHL-MAUKXSAKSA-N 2 1 288.479 3.456 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000163268631 372458079 /nfs/dbraw/zinc/45/80/79/372458079.db2.gz ZKJAGHIUKSQMCV-STQMWFEESA-N 2 1 278.465 3.229 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000163403512 372466914 /nfs/dbraw/zinc/46/69/14/372466914.db2.gz FRONOTVNQJIGKO-FZMZJTMJSA-N 2 1 268.351 3.041 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cnc(C)nc2C)CC1 ZINC000164465182 372519922 /nfs/dbraw/zinc/51/99/22/372519922.db2.gz CJWREOKUVHLRAH-AWEZNQCLSA-N 2 1 290.455 3.009 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000164493099 372522137 /nfs/dbraw/zinc/52/21/37/372522137.db2.gz KJNQMINICIPATO-OAHLLOKOSA-N 2 1 292.471 3.379 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164630258 372525322 /nfs/dbraw/zinc/52/53/22/372525322.db2.gz UNDWBHSYEWHWST-AWEZNQCLSA-N 2 1 287.407 3.331 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000168619403 372615644 /nfs/dbraw/zinc/61/56/44/372615644.db2.gz BAFVVSQPNLXROQ-VXGBXAGGSA-N 2 1 289.810 3.057 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1F ZINC000168754970 372619477 /nfs/dbraw/zinc/61/94/77/372619477.db2.gz OKGBQTQRQZIJMH-SUMWQHHRSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCF ZINC000170605243 372642116 /nfs/dbraw/zinc/64/21/16/372642116.db2.gz AXQQFKGITZRPCL-FKEKPDDDSA-N 2 1 278.415 3.092 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000170791469 372663368 /nfs/dbraw/zinc/66/33/68/372663368.db2.gz MNCKEAQWAQBPLQ-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP CC[N@@H+](CCOc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435630160 372787377 /nfs/dbraw/zinc/78/73/77/372787377.db2.gz VWYMYHVYGAOENJ-CQSZACIVSA-N 2 1 296.842 3.183 20 0 CGADMP C[NH2+]CCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000435873494 372820454 /nfs/dbraw/zinc/82/04/54/372820454.db2.gz DNVFQZHGDXCVHU-UHFFFAOYSA-N 2 1 289.448 3.085 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595067 372841110 /nfs/dbraw/zinc/84/11/10/372841110.db2.gz CJRTZTCBMJWVCQ-SUMWQHHRSA-N 2 1 294.389 3.096 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595067 372841113 /nfs/dbraw/zinc/84/11/13/372841113.db2.gz CJRTZTCBMJWVCQ-SUMWQHHRSA-N 2 1 294.389 3.096 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595067 372841118 /nfs/dbraw/zinc/84/11/18/372841118.db2.gz CJRTZTCBMJWVCQ-SUMWQHHRSA-N 2 1 294.389 3.096 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595067 372841121 /nfs/dbraw/zinc/84/11/21/372841121.db2.gz CJRTZTCBMJWVCQ-SUMWQHHRSA-N 2 1 294.389 3.096 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000172848810 373047070 /nfs/dbraw/zinc/04/70/70/373047070.db2.gz DQRWUCRJAAGYNW-DOTOQJQBSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000172848810 373047071 /nfs/dbraw/zinc/04/70/71/373047071.db2.gz DQRWUCRJAAGYNW-DOTOQJQBSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000172848810 373047072 /nfs/dbraw/zinc/04/70/72/373047072.db2.gz DQRWUCRJAAGYNW-DOTOQJQBSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000172848810 373047075 /nfs/dbraw/zinc/04/70/75/373047075.db2.gz DQRWUCRJAAGYNW-DOTOQJQBSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(F)cn1 ZINC000353547080 220152107 /nfs/dbraw/zinc/15/21/07/220152107.db2.gz YEDGKTYWWYMZFX-MRXNPFEDSA-N 2 1 281.419 3.238 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(F)cn1 ZINC000353547080 220152108 /nfs/dbraw/zinc/15/21/08/220152108.db2.gz YEDGKTYWWYMZFX-MRXNPFEDSA-N 2 1 281.419 3.238 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000443641523 373161807 /nfs/dbraw/zinc/16/18/07/373161807.db2.gz LUGXOCPNQXBULI-HZMVEIRTSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000443641523 373161817 /nfs/dbraw/zinc/16/18/17/373161817.db2.gz LUGXOCPNQXBULI-HZMVEIRTSA-N 2 1 262.441 3.195 20 0 CGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000442925427 373127132 /nfs/dbraw/zinc/12/71/32/373127132.db2.gz VMYWSGZWOFUGKW-GFCCVEGCSA-N 2 1 281.469 3.001 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442925331 373128643 /nfs/dbraw/zinc/12/86/43/373128643.db2.gz UZKTYJKSBSLJQT-INIZCTEOSA-N 2 1 290.451 3.426 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000443075882 373148673 /nfs/dbraw/zinc/14/86/73/373148673.db2.gz RPSNCHNIQHGWMO-CYBMUJFWSA-N 2 1 293.480 3.362 20 0 CGADMP COC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000173923760 373215250 /nfs/dbraw/zinc/21/52/50/373215250.db2.gz MTOCJPWEERAFTE-JKSUJKDBSA-N 2 1 290.451 3.186 20 0 CGADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444681195 373232137 /nfs/dbraw/zinc/23/21/37/373232137.db2.gz YTBLYDOCLITNRJ-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444702301 373244882 /nfs/dbraw/zinc/24/48/82/373244882.db2.gz RDLDAPHQJSTXND-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444702301 373244887 /nfs/dbraw/zinc/24/48/87/373244887.db2.gz RDLDAPHQJSTXND-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444702301 373244892 /nfs/dbraw/zinc/24/48/92/373244892.db2.gz RDLDAPHQJSTXND-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP CC(C)C[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000445414669 373312187 /nfs/dbraw/zinc/31/21/87/373312187.db2.gz YYVRGRVYZFHSBA-ZBFHGGJFSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000445414669 373312196 /nfs/dbraw/zinc/31/21/96/373312196.db2.gz YYVRGRVYZFHSBA-ZBFHGGJFSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000445414669 373312207 /nfs/dbraw/zinc/31/22/07/373312207.db2.gz YYVRGRVYZFHSBA-ZBFHGGJFSA-N 2 1 252.446 3.085 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000448075237 373548396 /nfs/dbraw/zinc/54/83/96/373548396.db2.gz UNSVBKHEDXRFOZ-HNNXBMFYSA-N 2 1 262.441 3.173 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000448075237 373548402 /nfs/dbraw/zinc/54/84/02/373548402.db2.gz UNSVBKHEDXRFOZ-HNNXBMFYSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000300582459 373636065 /nfs/dbraw/zinc/63/60/65/373636065.db2.gz VTKFBARNKSRBGD-MGLUKCQKSA-N 2 1 250.430 3.170 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(CCSc2ccc(F)cc2)C1 ZINC000177839175 373714956 /nfs/dbraw/zinc/71/49/56/373714956.db2.gz HHIZDQLXDBNHNH-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCSc2ccc(F)cc2)C1 ZINC000177839175 373714965 /nfs/dbraw/zinc/71/49/65/373714965.db2.gz HHIZDQLXDBNHNH-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCSc2ccc(F)cc2)C1 ZINC000177839175 373714973 /nfs/dbraw/zinc/71/49/73/373714973.db2.gz HHIZDQLXDBNHNH-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000177839175 373714980 /nfs/dbraw/zinc/71/49/80/373714980.db2.gz HHIZDQLXDBNHNH-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000177839175 373714990 /nfs/dbraw/zinc/71/49/90/373714990.db2.gz HHIZDQLXDBNHNH-CQSZACIVSA-N 2 1 296.455 3.191 20 0 CGADMP C[C@@H]1CSC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449085053 373660467 /nfs/dbraw/zinc/66/04/67/373660467.db2.gz ZYBJQZOARZSDQW-QKPAOTATSA-N 2 1 284.513 3.086 20 0 CGADMP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C(C)C ZINC000177979294 373732195 /nfs/dbraw/zinc/73/21/95/373732195.db2.gz YMYUVWKYSZQZTJ-GOSISDBHSA-N 2 1 292.467 3.287 20 0 CGADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449521969 373820685 /nfs/dbraw/zinc/82/06/85/373820685.db2.gz JPJHJTAAJLTHTE-FSPWUOQZSA-N 2 1 299.418 3.399 20 0 CGADMP Cc1cccc(C(C)(C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000179598142 373893485 /nfs/dbraw/zinc/89/34/85/373893485.db2.gz VBULLHOYSBWBNU-INIZCTEOSA-N 2 1 260.425 3.304 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc3nccn32)C1 ZINC000449724561 373856244 /nfs/dbraw/zinc/85/62/44/373856244.db2.gz UEQHZLRMGUJIKX-UONOGXRCSA-N 2 1 257.381 3.345 20 0 CGADMP CCCc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2ccccc2[nH+]1 ZINC000302865083 373988572 /nfs/dbraw/zinc/98/85/72/373988572.db2.gz UCXPGPRVKGNLBJ-GASCZTMLSA-N 2 1 295.430 3.185 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2nccc3c(OC)cccc32)C1 ZINC000450359496 374080466 /nfs/dbraw/zinc/08/04/66/374080466.db2.gz GVJNYZINQAGAAQ-AWEZNQCLSA-N 2 1 299.418 3.021 20 0 CGADMP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450430455 374122770 /nfs/dbraw/zinc/12/27/70/374122770.db2.gz RVFFAKAKXINQGK-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000181605327 374145507 /nfs/dbraw/zinc/14/55/07/374145507.db2.gz BWIQHIUDZVFQCZ-OAHLLOKOSA-N 2 1 270.367 3.203 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=CCCCC2)C[C@H]1C ZINC000450467783 374150671 /nfs/dbraw/zinc/15/06/71/374150671.db2.gz LYSXLGAQXMFJJA-GDBMZVCRSA-N 2 1 250.430 3.291 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=CCCCC2)C[C@H]1C ZINC000450467783 374150677 /nfs/dbraw/zinc/15/06/77/374150677.db2.gz LYSXLGAQXMFJJA-GDBMZVCRSA-N 2 1 250.430 3.291 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C[C@H]1C ZINC000450467783 374150684 /nfs/dbraw/zinc/15/06/84/374150684.db2.gz LYSXLGAQXMFJJA-GDBMZVCRSA-N 2 1 250.430 3.291 20 0 CGADMP Cc1ccc(CCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000181946670 374194721 /nfs/dbraw/zinc/19/47/21/374194721.db2.gz ZABNKUCVULRZAZ-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000181946670 374194727 /nfs/dbraw/zinc/19/47/27/374194727.db2.gz ZABNKUCVULRZAZ-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000181946670 374194733 /nfs/dbraw/zinc/19/47/33/374194733.db2.gz ZABNKUCVULRZAZ-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000181946670 374194738 /nfs/dbraw/zinc/19/47/38/374194738.db2.gz ZABNKUCVULRZAZ-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP CC(C)N1CCCC[C@H]1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984143 374188936 /nfs/dbraw/zinc/18/89/36/374188936.db2.gz UKYIWVJGSNIIOV-KSZLIROESA-N 2 1 296.499 3.265 20 0 CGADMP C1CC(C([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)C1 ZINC000311689014 374253485 /nfs/dbraw/zinc/25/34/85/374253485.db2.gz OICRILGQQDFCTL-CVEARBPZSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000311897577 374260445 /nfs/dbraw/zinc/26/04/45/374260445.db2.gz ZRBFJAOSSHSTIL-JTQLQIEISA-N 2 1 281.762 3.335 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC000311237116 374237652 /nfs/dbraw/zinc/23/76/52/374237652.db2.gz WXGXVTZXHNNYKQ-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCC1 ZINC000313430995 374302318 /nfs/dbraw/zinc/30/23/18/374302318.db2.gz QPFVWUFUJRMEBR-MRXNPFEDSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314133026 374312977 /nfs/dbraw/zinc/31/29/77/374312977.db2.gz KMJCDSCFWACABS-CQSZACIVSA-N 2 1 257.381 3.012 20 0 CGADMP CC(C)c1cnc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000183127227 374376782 /nfs/dbraw/zinc/37/67/82/374376782.db2.gz PHLWVRKZUXRAHK-ZIAGYGMSSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183192434 374385008 /nfs/dbraw/zinc/38/50/08/374385008.db2.gz CPORKUXKBBVSLK-RBSFLKMASA-N 2 1 252.446 3.274 20 0 CGADMP Cc1nccn1CCCC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183929645 374474502 /nfs/dbraw/zinc/47/45/02/374474502.db2.gz HHODFIQHRLXDKF-CYBMUJFWSA-N 2 1 292.452 3.164 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183929645 374474512 /nfs/dbraw/zinc/47/45/12/374474512.db2.gz HHODFIQHRLXDKF-CYBMUJFWSA-N 2 1 292.452 3.164 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183929645 374474515 /nfs/dbraw/zinc/47/45/15/374474515.db2.gz HHODFIQHRLXDKF-CYBMUJFWSA-N 2 1 292.452 3.164 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1)C1CC1 ZINC000453410794 374475363 /nfs/dbraw/zinc/47/53/63/374475363.db2.gz VGLBSMJVZIVXBT-IAGOWNOFSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000090406159 541959830 /nfs/dbraw/zinc/95/98/30/541959830.db2.gz FOQIIUCKYZWBCV-LBPRGKRZSA-N 2 1 281.469 3.367 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000334222537 206214419 /nfs/dbraw/zinc/21/44/19/206214419.db2.gz VPKDVOMROJBMGB-YKWDICOMSA-N 2 1 272.436 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000334222537 206214422 /nfs/dbraw/zinc/21/44/22/206214422.db2.gz VPKDVOMROJBMGB-YKWDICOMSA-N 2 1 272.436 3.037 20 0 CGADMP CC(C)CCOCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665640 374707672 /nfs/dbraw/zinc/70/76/72/374707672.db2.gz YCRANBHYMBVRJJ-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459790157 374821440 /nfs/dbraw/zinc/82/14/40/374821440.db2.gz RAKFGFKDECPYQI-IRXDYDNUSA-N 2 1 274.452 3.248 20 0 CGADMP C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000186497291 374864360 /nfs/dbraw/zinc/86/43/60/374864360.db2.gz OMLVXDRTOVBBHV-RMLGOWPTSA-N 2 1 299.418 3.158 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000334555642 374852386 /nfs/dbraw/zinc/85/23/86/374852386.db2.gz QKBKONSCLACLHL-DZGCQCFKSA-N 2 1 273.424 3.055 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1CCCC1 ZINC000464060806 374861085 /nfs/dbraw/zinc/86/10/85/374861085.db2.gz FHZBAVZOZINLJX-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1CCCC1 ZINC000464060806 374861092 /nfs/dbraw/zinc/86/10/92/374861092.db2.gz FHZBAVZOZINLJX-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H](C)C1CCSCC1)C(C)C ZINC000186927799 374940222 /nfs/dbraw/zinc/94/02/22/374940222.db2.gz SFYHNUFPSLNZQI-CQSZACIVSA-N 2 1 272.502 3.227 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000186993787 374953083 /nfs/dbraw/zinc/95/30/83/374953083.db2.gz CDCGKMWRARHSFQ-HKUYNNGSSA-N 2 1 286.463 3.328 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC2(C1)CCCCC2 ZINC000472581689 375027054 /nfs/dbraw/zinc/02/70/54/375027054.db2.gz OVBZIOPSABKHGN-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP Cc1sccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000334943569 375046072 /nfs/dbraw/zinc/04/60/72/375046072.db2.gz SEAMDIHYWROBJE-UHFFFAOYSA-N 2 1 264.438 3.117 20 0 CGADMP c1ccc(C[C@H]2CC[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000189038003 375314582 /nfs/dbraw/zinc/31/45/82/375314582.db2.gz SSTHBJKPHFHZLX-CEXWTWQISA-N 2 1 298.474 3.472 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000189246694 375349143 /nfs/dbraw/zinc/34/91/43/375349143.db2.gz GCOBOAIDOQJYEL-NXWXRZEISA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000189246694 375349147 /nfs/dbraw/zinc/34/91/47/375349147.db2.gz GCOBOAIDOQJYEL-NXWXRZEISA-N 2 1 286.463 3.470 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000189319175 375364199 /nfs/dbraw/zinc/36/41/99/375364199.db2.gz NKDXKLDMZVJJLH-NSHDSACASA-N 2 1 295.789 3.410 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000335910591 375534074 /nfs/dbraw/zinc/53/40/74/375534074.db2.gz WJULFCJJGKOUGA-LLVKDONJSA-N 2 1 293.773 3.202 20 0 CGADMP Cn1ccnc1[C@@H]1CCN(Cc2c(F)cccc2Cl)C1 ZINC000335910591 375534079 /nfs/dbraw/zinc/53/40/79/375534079.db2.gz WJULFCJJGKOUGA-LLVKDONJSA-N 2 1 293.773 3.202 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2n1 ZINC000335960843 375574564 /nfs/dbraw/zinc/57/45/64/375574564.db2.gz HVVVDFUMIJPJRL-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000502415241 375644487 /nfs/dbraw/zinc/64/44/87/375644487.db2.gz LWFKMVDBXSJIQF-SQNIBIBYSA-N 2 1 296.499 3.149 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000120969781 542013376 /nfs/dbraw/zinc/01/33/76/542013376.db2.gz MPVGXTYQJFFIAN-QGZVFWFLSA-N 2 1 294.389 3.416 20 0 CGADMP CC[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123893683 542030184 /nfs/dbraw/zinc/03/01/84/542030184.db2.gz GTGHDNYLNNTBGA-INIZCTEOSA-N 2 1 258.409 3.097 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000507524709 375711844 /nfs/dbraw/zinc/71/18/44/375711844.db2.gz JSWFPWAKWBRCDX-HUUCEWRRSA-N 2 1 252.446 3.299 20 0 CGADMP Cc1c[nH+]ccc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000192638493 375775195 /nfs/dbraw/zinc/77/51/95/375775195.db2.gz WTCBRUHCFXDXLL-QGZVFWFLSA-N 2 1 295.430 3.491 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000192922781 375803399 /nfs/dbraw/zinc/80/33/99/375803399.db2.gz PTOFNQWAPOAKSM-FUHWJXTLSA-N 2 1 295.430 3.254 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000192922781 375803403 /nfs/dbraw/zinc/80/34/03/375803403.db2.gz PTOFNQWAPOAKSM-FUHWJXTLSA-N 2 1 295.430 3.254 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000515666155 375814288 /nfs/dbraw/zinc/81/42/88/375814288.db2.gz KJKZSHBFRQCJQP-GOSISDBHSA-N 2 1 283.419 3.362 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000515666155 375814292 /nfs/dbraw/zinc/81/42/92/375814292.db2.gz KJKZSHBFRQCJQP-GOSISDBHSA-N 2 1 283.419 3.362 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2occc21 ZINC000192824319 375792904 /nfs/dbraw/zinc/79/29/04/375792904.db2.gz CHDGNICPYQSAIH-WFASDCNBSA-N 2 1 273.380 3.088 20 0 CGADMP FCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000336657313 375896525 /nfs/dbraw/zinc/89/65/25/375896525.db2.gz QAICRMCYWPZYHG-FGTMMUONSA-N 2 1 290.426 3.236 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)Sc2sccc21 ZINC000336811428 375962693 /nfs/dbraw/zinc/96/26/93/375962693.db2.gz MXMDGXWUXPTHRO-ZWNOBZJWSA-N 2 1 293.461 3.468 20 0 CGADMP Cc1nc(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC000534317168 375970193 /nfs/dbraw/zinc/97/01/93/375970193.db2.gz ZMBDDEZCBNVJJE-UHFFFAOYSA-N 2 1 295.496 3.046 20 0 CGADMP CSC1(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)CCC1 ZINC000336786347 375936523 /nfs/dbraw/zinc/93/65/23/375936523.db2.gz HSMROGCLOFWRFF-CQSZACIVSA-N 2 1 270.486 3.126 20 0 CGADMP Cc1sccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000336793917 375943395 /nfs/dbraw/zinc/94/33/95/375943395.db2.gz YYDANYPJNXLLHB-UHFFFAOYSA-N 2 1 266.454 3.268 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2CCCCn2ccnc2C)on1 ZINC000336834811 375996687 /nfs/dbraw/zinc/99/66/87/375996687.db2.gz HNAHAIJOXXKVOM-HNNXBMFYSA-N 2 1 288.395 3.105 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)on1 ZINC000336834811 375996696 /nfs/dbraw/zinc/99/66/96/375996696.db2.gz HNAHAIJOXXKVOM-HNNXBMFYSA-N 2 1 288.395 3.105 20 0 CGADMP C1CCC2(C1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336886061 376018850 /nfs/dbraw/zinc/01/88/50/376018850.db2.gz BJBQPURLGJEFNP-BZUAXINKSA-N 2 1 262.441 3.316 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000336903321 376026043 /nfs/dbraw/zinc/02/60/43/376026043.db2.gz VDLAZXBBIRGAGZ-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)[C@@H](C)C1 ZINC000536851864 376138139 /nfs/dbraw/zinc/13/81/39/376138139.db2.gz LAEVIALYMHWXGU-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000536696146 376124050 /nfs/dbraw/zinc/12/40/50/376124050.db2.gz VYKRDAGZQQAWFQ-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000536696146 376124056 /nfs/dbraw/zinc/12/40/56/376124056.db2.gz VYKRDAGZQQAWFQ-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000536696146 376124063 /nfs/dbraw/zinc/12/40/63/376124063.db2.gz VYKRDAGZQQAWFQ-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000536696146 376124072 /nfs/dbraw/zinc/12/40/72/376124072.db2.gz VYKRDAGZQQAWFQ-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000337406112 376220392 /nfs/dbraw/zinc/22/03/92/376220392.db2.gz JKLPARSYRJYBLT-BHYGNILZSA-N 2 1 275.440 3.195 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCc2c1cccc2F ZINC000221917961 376224039 /nfs/dbraw/zinc/22/40/39/376224039.db2.gz URBSGJNEDRBRAQ-MRXNPFEDSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000221917961 376224046 /nfs/dbraw/zinc/22/40/46/376224046.db2.gz URBSGJNEDRBRAQ-MRXNPFEDSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000221917961 376224053 /nfs/dbraw/zinc/22/40/53/376224053.db2.gz URBSGJNEDRBRAQ-MRXNPFEDSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000221879231 376224347 /nfs/dbraw/zinc/22/43/47/376224347.db2.gz VMNCDBQKWCEMAN-UHFFFAOYSA-N 2 1 282.378 3.317 20 0 CGADMP Cc1[nH+]ccc(N2CCC[N@H+](C(C)(C)C)CC2)c1Cl ZINC000538704833 376255821 /nfs/dbraw/zinc/25/58/21/376255821.db2.gz XZUIPQSAZRJTCM-UHFFFAOYSA-N 2 1 281.831 3.354 20 0 CGADMP c1ccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccnc2c1 ZINC000538719881 376258645 /nfs/dbraw/zinc/25/86/45/376258645.db2.gz PGYYTWPQEYHTOF-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000226330140 376353109 /nfs/dbraw/zinc/35/31/09/376353109.db2.gz HWTKXEIOTHJJOG-INIZCTEOSA-N 2 1 262.441 3.329 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000226330140 376353111 /nfs/dbraw/zinc/35/31/11/376353111.db2.gz HWTKXEIOTHJJOG-INIZCTEOSA-N 2 1 262.441 3.329 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000539837472 376339932 /nfs/dbraw/zinc/33/99/32/376339932.db2.gz FCXNPRMFJHTPFP-OLZOCXBDSA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000539837472 376339939 /nfs/dbraw/zinc/33/99/39/376339939.db2.gz FCXNPRMFJHTPFP-OLZOCXBDSA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000539837472 376339944 /nfs/dbraw/zinc/33/99/44/376339944.db2.gz FCXNPRMFJHTPFP-OLZOCXBDSA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000539837472 376339950 /nfs/dbraw/zinc/33/99/50/376339950.db2.gz FCXNPRMFJHTPFP-OLZOCXBDSA-N 2 1 266.454 3.225 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000539049818 376287718 /nfs/dbraw/zinc/28/77/18/376287718.db2.gz ZDDQNKQWCIZOKQ-WMZOPIPTSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000226438819 376359299 /nfs/dbraw/zinc/35/92/99/376359299.db2.gz WYJQVWFXOYHXAC-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000226435345 376359398 /nfs/dbraw/zinc/35/93/98/376359398.db2.gz CZCPYVCCNRQWRE-GFCCVEGCSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC000226436725 376360141 /nfs/dbraw/zinc/36/01/41/376360141.db2.gz PTGGXFBYOXPURS-ZDUSSCGKSA-N 2 1 286.341 3.137 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000540173469 376362031 /nfs/dbraw/zinc/36/20/31/376362031.db2.gz FWMOQAQQHOBQRJ-DNVCBOLYSA-N 2 1 282.431 3.312 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229061400 376457524 /nfs/dbraw/zinc/45/75/24/376457524.db2.gz CSJIBBNSNCVVJZ-OCCSQVGLSA-N 2 1 272.392 3.158 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000230127289 376486306 /nfs/dbraw/zinc/48/63/06/376486306.db2.gz RCAWWRVXKIQUKW-TYNCELHUSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000230127289 376486315 /nfs/dbraw/zinc/48/63/15/376486315.db2.gz RCAWWRVXKIQUKW-TYNCELHUSA-N 2 1 282.790 3.038 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000542486965 376549224 /nfs/dbraw/zinc/54/92/24/376549224.db2.gz XEDMVESTJMZVEF-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000542486965 376549230 /nfs/dbraw/zinc/54/92/30/376549230.db2.gz XEDMVESTJMZVEF-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000542486965 376549240 /nfs/dbraw/zinc/54/92/40/376549240.db2.gz XEDMVESTJMZVEF-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000542486965 376549246 /nfs/dbraw/zinc/54/92/46/376549246.db2.gz XEDMVESTJMZVEF-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+](Cc1csc2ccccc12)[C@H]1CCC[NH2+]CC1 ZINC000231457656 376557852 /nfs/dbraw/zinc/55/78/52/376557852.db2.gz XMYCSQXRBIYNSM-AWEZNQCLSA-N 2 1 274.433 3.475 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC000334317326 206358263 /nfs/dbraw/zinc/35/82/63/206358263.db2.gz UTHXFBQFJGLFSN-NEPJUHHUSA-N 2 1 260.406 3.070 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000233461531 376596678 /nfs/dbraw/zinc/59/66/78/376596678.db2.gz DNEOBJMZHNQVNH-KRWDZBQOSA-N 2 1 276.424 3.091 20 0 CGADMP Cc1ccc(OCCC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000234290827 376615737 /nfs/dbraw/zinc/61/57/37/376615737.db2.gz GSKXIHUPXSIDEX-KRWDZBQOSA-N 2 1 290.451 3.146 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000544348382 376722710 /nfs/dbraw/zinc/72/27/10/376722710.db2.gz HYHBAUQDMXMJOP-AWEZNQCLSA-N 2 1 286.423 3.442 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000236608135 376672680 /nfs/dbraw/zinc/67/26/80/376672680.db2.gz XLFMWJRMWAEADT-HNNXBMFYSA-N 2 1 285.435 3.378 20 0 CGADMP CCCc1cc(NCC2=CC[N@@H+](C)CC2)c2ccccc2[nH+]1 ZINC000544846669 376765794 /nfs/dbraw/zinc/76/57/94/376765794.db2.gz FDYPXCNIBIIMAV-UHFFFAOYSA-N 2 1 295.430 3.283 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000245557689 376852981 /nfs/dbraw/zinc/85/29/81/376852981.db2.gz AXRHXXIXAKLMPB-HUUCEWRRSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000245557689 376852987 /nfs/dbraw/zinc/85/29/87/376852987.db2.gz AXRHXXIXAKLMPB-HUUCEWRRSA-N 2 1 263.429 3.340 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000181906843 284605241 /nfs/dbraw/zinc/60/52/41/284605241.db2.gz ZEDQGTMSIZJRCE-INIZCTEOSA-N 2 1 294.414 3.361 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000556934105 376908442 /nfs/dbraw/zinc/90/84/42/376908442.db2.gz SHDWFIIMOZVPIQ-CGTJXYLNSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000556934105 376908449 /nfs/dbraw/zinc/90/84/49/376908449.db2.gz SHDWFIIMOZVPIQ-CGTJXYLNSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000556934105 376908456 /nfs/dbraw/zinc/90/84/56/376908456.db2.gz SHDWFIIMOZVPIQ-CGTJXYLNSA-N 2 1 276.468 3.397 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000245792844 376910928 /nfs/dbraw/zinc/91/09/28/376910928.db2.gz WNGLUAKRKIHTQP-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000245792844 376910938 /nfs/dbraw/zinc/91/09/38/376910938.db2.gz WNGLUAKRKIHTQP-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000245792844 376910945 /nfs/dbraw/zinc/91/09/45/376910945.db2.gz WNGLUAKRKIHTQP-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245792844 376910951 /nfs/dbraw/zinc/91/09/51/376910951.db2.gz WNGLUAKRKIHTQP-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245792844 376910961 /nfs/dbraw/zinc/91/09/61/376910961.db2.gz WNGLUAKRKIHTQP-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000245792844 376910968 /nfs/dbraw/zinc/91/09/68/376910968.db2.gz WNGLUAKRKIHTQP-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000245792844 376910973 /nfs/dbraw/zinc/91/09/73/376910973.db2.gz WNGLUAKRKIHTQP-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP C[N@H+](CCOc1cccc(Cl)c1)CC[C@@H]1CCC[NH+]1C ZINC000340370246 377025136 /nfs/dbraw/zinc/02/51/36/377025136.db2.gz CKBOAZHKGOWTLL-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[N@@H+](CCOc1cccc(Cl)c1)CC[C@@H]1CCC[NH+]1C ZINC000340370246 377025145 /nfs/dbraw/zinc/02/51/45/377025145.db2.gz CKBOAZHKGOWTLL-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1cccc(Cl)c1)CC[C@@H]1CCC[N@@H+]1C ZINC000340370246 377025149 /nfs/dbraw/zinc/02/51/49/377025149.db2.gz CKBOAZHKGOWTLL-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1cccc(Cl)c1)CC[C@@H]1CCC[N@H+]1C ZINC000340370246 377025157 /nfs/dbraw/zinc/02/51/57/377025157.db2.gz CKBOAZHKGOWTLL-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000246463398 377035808 /nfs/dbraw/zinc/03/58/08/377035808.db2.gz QARLOJFCQCSYDR-CABCVRRESA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000246463398 377035819 /nfs/dbraw/zinc/03/58/19/377035819.db2.gz QARLOJFCQCSYDR-CABCVRRESA-N 2 1 293.430 3.239 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(C)C)[C@@H](C)C1 ZINC000246490817 377042012 /nfs/dbraw/zinc/04/20/12/377042012.db2.gz RUSKEPSPIIXTHU-GJZGRUSLSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246500391 377044465 /nfs/dbraw/zinc/04/44/65/377044465.db2.gz HPVZKYMPUSMTIM-RVKKMQEKSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246500391 377044470 /nfs/dbraw/zinc/04/44/70/377044470.db2.gz HPVZKYMPUSMTIM-RVKKMQEKSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246500391 377044473 /nfs/dbraw/zinc/04/44/73/377044473.db2.gz HPVZKYMPUSMTIM-RVKKMQEKSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246500391 377044474 /nfs/dbraw/zinc/04/44/74/377044474.db2.gz HPVZKYMPUSMTIM-RVKKMQEKSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246500391 377044475 /nfs/dbraw/zinc/04/44/75/377044475.db2.gz HPVZKYMPUSMTIM-RVKKMQEKSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246500391 377044476 /nfs/dbraw/zinc/04/44/76/377044476.db2.gz HPVZKYMPUSMTIM-RVKKMQEKSA-N 2 1 285.435 3.091 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c(C)cccc2C)[C@@H](C)C1 ZINC000246324342 377010920 /nfs/dbraw/zinc/01/09/20/377010920.db2.gz FPBPBEPRMLSCFF-WMZOPIPTSA-N 2 1 274.452 3.166 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246911054 377117263 /nfs/dbraw/zinc/11/72/63/377117263.db2.gz UQVBHHTUZSSFKN-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246911054 377117269 /nfs/dbraw/zinc/11/72/69/377117269.db2.gz UQVBHHTUZSSFKN-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246911054 377117277 /nfs/dbraw/zinc/11/72/77/377117277.db2.gz UQVBHHTUZSSFKN-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246918440 377119350 /nfs/dbraw/zinc/11/93/50/377119350.db2.gz GHIKIELIIQGJPV-CABCVRRESA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246724686 377079276 /nfs/dbraw/zinc/07/92/76/377079276.db2.gz DHMSSDOHHCSLBQ-HOTGVXAUSA-N 2 1 260.425 3.064 20 0 CGADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000246724686 377079284 /nfs/dbraw/zinc/07/92/84/377079284.db2.gz DHMSSDOHHCSLBQ-HOTGVXAUSA-N 2 1 260.425 3.064 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C12CCCCC2 ZINC000246782319 377087602 /nfs/dbraw/zinc/08/76/02/377087602.db2.gz HJCCNEUPBRKHSI-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000246809695 377094568 /nfs/dbraw/zinc/09/45/68/377094568.db2.gz ANQGQAWHAVVLPK-BZUAXINKSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246825888 377097824 /nfs/dbraw/zinc/09/78/24/377097824.db2.gz AVLUKLVFLYIXOH-BVIKNXMNSA-N 2 1 290.451 3.081 20 0 CGADMP C1=C[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000559792668 377099085 /nfs/dbraw/zinc/09/90/85/377099085.db2.gz DXPYUMQOVATTKA-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000559879670 377103669 /nfs/dbraw/zinc/10/36/69/377103669.db2.gz UMGIYZAQLLATSV-SVXVCFNTSA-N 2 1 264.457 3.274 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC000246859098 377104717 /nfs/dbraw/zinc/10/47/17/377104717.db2.gz CXHXUBUPFBGNPO-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC000246859098 377104721 /nfs/dbraw/zinc/10/47/21/377104721.db2.gz CXHXUBUPFBGNPO-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)[C@@H](C)C1 ZINC000246955935 377127148 /nfs/dbraw/zinc/12/71/48/377127148.db2.gz HPKOHOORHOCNHI-AEGPPILISA-N 2 1 278.465 3.445 20 0 CGADMP CC(C)C(C[N@@H+](C)CC1CC[NH+](C)CC1)C(C)C ZINC000560259093 377134960 /nfs/dbraw/zinc/13/49/60/377134960.db2.gz MZJHRYVYHTUPQD-UHFFFAOYSA-N 2 1 254.462 3.188 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000247039846 377145450 /nfs/dbraw/zinc/14/54/50/377145450.db2.gz MRCDVZZCZFYTKY-KSSFIOAISA-N 2 1 288.435 3.004 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247044390 377148319 /nfs/dbraw/zinc/14/83/19/377148319.db2.gz NXUJIHZEFBQBNK-BQFCYCMXSA-N 2 1 274.452 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247044390 377148323 /nfs/dbraw/zinc/14/83/23/377148323.db2.gz NXUJIHZEFBQBNK-BQFCYCMXSA-N 2 1 274.452 3.452 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560525560 377163207 /nfs/dbraw/zinc/16/32/07/377163207.db2.gz QGYMTZBUKXGZIB-KZNAEPCWSA-N 2 1 272.436 3.211 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]2CCC[C@H]21 ZINC000560521863 377163561 /nfs/dbraw/zinc/16/35/61/377163561.db2.gz GXJMSZIROJUDKX-YESZJQIVSA-N 2 1 284.403 3.395 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@H]2CCC[C@@H]21 ZINC000560521858 377163594 /nfs/dbraw/zinc/16/35/94/377163594.db2.gz GXJMSZIROJUDKX-IKGGRYGDSA-N 2 1 284.403 3.395 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000560537855 377165751 /nfs/dbraw/zinc/16/57/51/377165751.db2.gz UJXULMPFBGBRLN-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000247169870 377169011 /nfs/dbraw/zinc/16/90/11/377169011.db2.gz RCPBMJNOLQNNRD-SWLSCSKDSA-N 2 1 298.377 3.108 20 0 CGADMP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)C1CCCC1 ZINC000247193821 377174267 /nfs/dbraw/zinc/17/42/67/377174267.db2.gz UOHUVTPBJHHYQE-BPQIPLTHSA-N 2 1 296.499 3.292 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247220981 377179704 /nfs/dbraw/zinc/17/97/04/377179704.db2.gz VXVFJOOZLAYKRE-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247220981 377179713 /nfs/dbraw/zinc/17/97/13/377179713.db2.gz VXVFJOOZLAYKRE-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247220981 377179722 /nfs/dbraw/zinc/17/97/22/377179722.db2.gz VXVFJOOZLAYKRE-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000247492119 377212108 /nfs/dbraw/zinc/21/21/08/377212108.db2.gz LAAWMDRTMJWXTP-HZPDHXFCSA-N 2 1 260.425 3.411 20 0 CGADMP C[C@H](C[NH2+]C1CCCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000561239802 377214075 /nfs/dbraw/zinc/21/40/75/377214075.db2.gz CPNDPCODEIVRPF-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](C[NH2+]C1CCCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000561239802 377214077 /nfs/dbraw/zinc/21/40/77/377214077.db2.gz CPNDPCODEIVRPF-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP [NH3+][C@H]1CCC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000561267672 377217052 /nfs/dbraw/zinc/21/70/52/377217052.db2.gz QMVGGKJYBNPOAQ-QWRGUYRKSA-N 2 1 261.394 3.226 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000247527174 377218745 /nfs/dbraw/zinc/21/87/45/377218745.db2.gz NXEYZKHULFSHBM-IRXDYDNUSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127671 377268736 /nfs/dbraw/zinc/26/87/36/377268736.db2.gz OCNQVJOUPGPVTC-BHIYHBOVSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127671 377268742 /nfs/dbraw/zinc/26/87/42/377268742.db2.gz OCNQVJOUPGPVTC-BHIYHBOVSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127671 377268748 /nfs/dbraw/zinc/26/87/48/377268748.db2.gz OCNQVJOUPGPVTC-BHIYHBOVSA-N 2 1 284.447 3.480 20 0 CGADMP CC[N@@H+]1CCC[C@H]1CN[C@H]1CCSc2ccc(F)cc21 ZINC000247944566 377246707 /nfs/dbraw/zinc/24/67/07/377246707.db2.gz HFFVLPKSMVBQDF-ZFWWWQNUSA-N 2 1 294.439 3.437 20 0 CGADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CCSc2ccc(F)cc21 ZINC000247944566 377246713 /nfs/dbraw/zinc/24/67/13/377246713.db2.gz HFFVLPKSMVBQDF-ZFWWWQNUSA-N 2 1 294.439 3.437 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000248067720 377263215 /nfs/dbraw/zinc/26/32/15/377263215.db2.gz ZTQWMMAKAOOYPJ-SUMDDJOVSA-N 2 1 286.463 3.426 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000248430168 377319443 /nfs/dbraw/zinc/31/94/43/377319443.db2.gz VLZIYIZLLCKARV-JLJPHGGASA-N 2 1 275.440 3.410 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000248198078 377278993 /nfs/dbraw/zinc/27/89/93/377278993.db2.gz XSVSPAAMZUIVJM-XLMAVXFVSA-N 2 1 274.452 3.417 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000248531610 377337826 /nfs/dbraw/zinc/33/78/26/377337826.db2.gz PBTZAVYPXBRCOX-HUUCEWRRSA-N 2 1 276.424 3.307 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000248531610 377337838 /nfs/dbraw/zinc/33/78/38/377337838.db2.gz PBTZAVYPXBRCOX-HUUCEWRRSA-N 2 1 276.424 3.307 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000248198081 377280153 /nfs/dbraw/zinc/28/01/53/377280153.db2.gz XSVSPAAMZUIVJM-YFHUEUNASA-N 2 1 274.452 3.417 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000248567608 377349922 /nfs/dbraw/zinc/34/99/22/377349922.db2.gz NQGQLRKEZLNAJT-XJKSGUPXSA-N 2 1 280.843 3.468 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248570289 377351562 /nfs/dbraw/zinc/35/15/62/377351562.db2.gz LWEZGHLDOACVOW-WMZOPIPTSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248570289 377351571 /nfs/dbraw/zinc/35/15/71/377351571.db2.gz LWEZGHLDOACVOW-WMZOPIPTSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248570289 377351576 /nfs/dbraw/zinc/35/15/76/377351576.db2.gz LWEZGHLDOACVOW-WMZOPIPTSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000562740801 377356055 /nfs/dbraw/zinc/35/60/55/377356055.db2.gz YLJPQBDWAUQCAC-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP COc1ccc([C@@H](C)[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000563353623 377446155 /nfs/dbraw/zinc/44/61/55/377446155.db2.gz DYXVOUOEOUUYLS-CQSZACIVSA-N 2 1 287.407 3.054 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000563353623 377446162 /nfs/dbraw/zinc/44/61/62/377446162.db2.gz DYXVOUOEOUUYLS-CQSZACIVSA-N 2 1 287.407 3.054 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000249290761 377486706 /nfs/dbraw/zinc/48/67/06/377486706.db2.gz AJBIGMXTGDUZMN-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000249290761 377486709 /nfs/dbraw/zinc/48/67/09/377486709.db2.gz AJBIGMXTGDUZMN-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000249385645 377497566 /nfs/dbraw/zinc/49/75/66/377497566.db2.gz ZZANQGZMDPWTOW-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000341341723 377517855 /nfs/dbraw/zinc/51/78/55/377517855.db2.gz FEWKCELFLGYAEK-CQSZACIVSA-N 2 1 275.440 3.167 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000037644010 249002807 /nfs/dbraw/zinc/00/28/07/249002807.db2.gz QEFLFZLNDXKJLO-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000166773106 542175271 /nfs/dbraw/zinc/17/52/71/542175271.db2.gz MNHZRKXYUGPOJZ-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250079383 377548393 /nfs/dbraw/zinc/54/83/93/377548393.db2.gz HMNTUUFDIOKXMB-FVQBIDKESA-N 2 1 278.827 3.350 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000469864814 249160113 /nfs/dbraw/zinc/16/01/13/249160113.db2.gz GNWCIQXNSRDSQK-STQMWFEESA-N 2 1 288.366 3.255 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000469862270 249160279 /nfs/dbraw/zinc/16/02/79/249160279.db2.gz MXGZYZNWYHAZHY-HUUCEWRRSA-N 2 1 276.424 3.035 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000469858121 249160561 /nfs/dbraw/zinc/16/05/61/249160561.db2.gz BFJWRIVUJPHFRW-USXIJHARSA-N 2 1 260.425 3.239 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514861596 249192488 /nfs/dbraw/zinc/19/24/88/249192488.db2.gz MPJKJRRDPDJNEE-QGZVFWFLSA-N 2 1 286.444 3.477 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000251233691 377578811 /nfs/dbraw/zinc/57/88/11/377578811.db2.gz BULVSYSISWUODF-QEJZJMRPSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000516781247 249243927 /nfs/dbraw/zinc/24/39/27/249243927.db2.gz DXHWDZFNASJBSV-KBXCAEBGSA-N 2 1 268.404 3.194 20 0 CGADMP Cc1cnc(C)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000573815133 377581955 /nfs/dbraw/zinc/58/19/55/377581955.db2.gz MBTNUVOHABROQX-YOEHRIQHSA-N 2 1 296.418 3.168 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251424120 377582806 /nfs/dbraw/zinc/58/28/06/377582806.db2.gz HVDXEKLOAKMFRZ-SCRDCRAPSA-N 2 1 266.816 3.460 20 0 CGADMP Cc1[nH+]c2ccccc2c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000516340739 249231737 /nfs/dbraw/zinc/23/17/37/249231737.db2.gz VDZUMLVGVZCLKD-IUODEOHRSA-N 2 1 283.419 3.168 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000518534501 249282585 /nfs/dbraw/zinc/28/25/85/249282585.db2.gz IKEINGIMOMTKGH-RKDXNWHRSA-N 2 1 261.196 3.209 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000251773574 377598292 /nfs/dbraw/zinc/59/82/92/377598292.db2.gz KVEACMOBCXWVTB-NLYLCNNHSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000251773574 377598298 /nfs/dbraw/zinc/59/82/98/377598298.db2.gz KVEACMOBCXWVTB-NLYLCNNHSA-N 2 1 264.457 3.416 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000518844076 249287702 /nfs/dbraw/zinc/28/77/02/249287702.db2.gz MYJSTGZNQNOBLD-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000518844076 249287703 /nfs/dbraw/zinc/28/77/03/249287703.db2.gz MYJSTGZNQNOBLD-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000252673242 377650068 /nfs/dbraw/zinc/65/00/68/377650068.db2.gz HTOFIJLMOYHBJA-IRXDYDNUSA-N 2 1 258.409 3.020 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252709332 377651872 /nfs/dbraw/zinc/65/18/72/377651872.db2.gz CQQWSECZKBCDPD-NDBYEHHHSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252709332 377651880 /nfs/dbraw/zinc/65/18/80/377651880.db2.gz CQQWSECZKBCDPD-NDBYEHHHSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252758590 377662145 /nfs/dbraw/zinc/66/21/45/377662145.db2.gz FOIKOWIEFZHJLD-DMDPSCGWSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252758590 377662155 /nfs/dbraw/zinc/66/21/55/377662155.db2.gz FOIKOWIEFZHJLD-DMDPSCGWSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000574246947 377638610 /nfs/dbraw/zinc/63/86/10/377638610.db2.gz UTTALJGPMGGZBS-NXWXRZEISA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574246947 377638612 /nfs/dbraw/zinc/63/86/12/377638612.db2.gz UTTALJGPMGGZBS-NXWXRZEISA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574246947 377638616 /nfs/dbraw/zinc/63/86/16/377638616.db2.gz UTTALJGPMGGZBS-NXWXRZEISA-N 2 1 284.447 3.096 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000574529725 377677503 /nfs/dbraw/zinc/67/75/03/377677503.db2.gz YYZSOTYUYIGPCL-CQSZACIVSA-N 2 1 289.398 3.055 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000574529725 377677509 /nfs/dbraw/zinc/67/75/09/377677509.db2.gz YYZSOTYUYIGPCL-CQSZACIVSA-N 2 1 289.398 3.055 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000574545132 377679214 /nfs/dbraw/zinc/67/92/14/377679214.db2.gz GACNJADCGGPUAE-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C1CCCCC1 ZINC000574545132 377679218 /nfs/dbraw/zinc/67/92/18/377679218.db2.gz GACNJADCGGPUAE-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CCCCC1 ZINC000574545132 377679220 /nfs/dbraw/zinc/67/92/20/377679220.db2.gz GACNJADCGGPUAE-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC3(C)C)CCCC2)CC1 ZINC000342692134 377737091 /nfs/dbraw/zinc/73/70/91/377737091.db2.gz XVZNOPVBPBQIQJ-MRXNPFEDSA-N 2 1 294.483 3.188 20 0 CGADMP CCc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000575064701 377743950 /nfs/dbraw/zinc/74/39/50/377743950.db2.gz KEWRBLMZXJLURN-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000342745067 377770924 /nfs/dbraw/zinc/77/09/24/377770924.db2.gz YGAUCJXRYQRICE-KRWDZBQOSA-N 2 1 291.414 3.136 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000342817068 377816052 /nfs/dbraw/zinc/81/60/52/377816052.db2.gz ZYFCYPZDXVXPHF-WFASDCNBSA-N 2 1 296.842 3.169 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000261606935 377825655 /nfs/dbraw/zinc/82/56/55/377825655.db2.gz BGWJMYYQITUJBG-HNNXBMFYSA-N 2 1 278.783 3.257 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000261606935 377825662 /nfs/dbraw/zinc/82/56/62/377825662.db2.gz BGWJMYYQITUJBG-HNNXBMFYSA-N 2 1 278.783 3.257 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000261609486 377826519 /nfs/dbraw/zinc/82/65/19/377826519.db2.gz BRUBWJWBKBCAHE-AEFFLSMTSA-N 2 1 284.378 3.000 20 0 CGADMP Cc1nc2ccc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cc2s1 ZINC000261640336 377831060 /nfs/dbraw/zinc/83/10/60/377831060.db2.gz ADYYKJKCQNYXPC-AWEZNQCLSA-N 2 1 289.448 3.179 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261911086 377867573 /nfs/dbraw/zinc/86/75/73/377867573.db2.gz YEFOQYKJPLSPQR-HOTGVXAUSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261911086 377867577 /nfs/dbraw/zinc/86/75/77/377867577.db2.gz YEFOQYKJPLSPQR-HOTGVXAUSA-N 2 1 278.827 3.477 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261968563 377873439 /nfs/dbraw/zinc/87/34/39/377873439.db2.gz HYSOBPJRESNPAX-SFHVURJKSA-N 2 1 268.404 3.271 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cc2s1 ZINC000261977956 377873888 /nfs/dbraw/zinc/87/38/88/377873888.db2.gz QXXMWOXPRLVJGB-RISCZKNCSA-N 2 1 289.448 3.164 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261957198 377873923 /nfs/dbraw/zinc/87/39/23/377873923.db2.gz GVJSFLRVNAVRSE-INIZCTEOSA-N 2 1 264.388 3.037 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1F ZINC000261773920 377853094 /nfs/dbraw/zinc/85/30/94/377853094.db2.gz DWUFUGDZJVMNJO-HNNXBMFYSA-N 2 1 294.414 3.188 20 0 CGADMP CCCOc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000575935960 378001426 /nfs/dbraw/zinc/00/14/26/378001426.db2.gz WOXXOPSWDYOIPW-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000575935960 378001430 /nfs/dbraw/zinc/00/14/30/378001430.db2.gz WOXXOPSWDYOIPW-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000575935960 378001432 /nfs/dbraw/zinc/00/14/32/378001432.db2.gz WOXXOPSWDYOIPW-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000268815130 378119180 /nfs/dbraw/zinc/11/91/80/378119180.db2.gz NJVYNWRXTUBWFJ-CQSZACIVSA-N 2 1 271.408 3.147 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000268812090 378119636 /nfs/dbraw/zinc/11/96/36/378119636.db2.gz MOLNEGPKIFCFTR-LLVKDONJSA-N 2 1 286.404 3.152 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000268861651 378133147 /nfs/dbraw/zinc/13/31/47/378133147.db2.gz MRHQHLUHGRKLIX-CXAGYDPISA-N 2 1 269.392 3.105 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000268892437 378144006 /nfs/dbraw/zinc/14/40/06/378144006.db2.gz UVSFDPLLCAQWTC-AWEZNQCLSA-N 2 1 257.381 3.241 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268892529 378144265 /nfs/dbraw/zinc/14/42/65/378144265.db2.gz UYMAADCCAGVBJY-CQSZACIVSA-N 2 1 287.407 3.331 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000579854829 378203494 /nfs/dbraw/zinc/20/34/94/378203494.db2.gz MKGXXJFOBNJTQQ-JSGCOSHPSA-N 2 1 287.432 3.122 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000579854829 378203496 /nfs/dbraw/zinc/20/34/96/378203496.db2.gz MKGXXJFOBNJTQQ-JSGCOSHPSA-N 2 1 287.432 3.122 20 0 CGADMP CC[N@@H+](CCc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345208208 378223668 /nfs/dbraw/zinc/22/36/68/378223668.db2.gz PMAUHECOPMYEJT-CYBMUJFWSA-N 2 1 298.833 3.486 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000345180695 378215847 /nfs/dbraw/zinc/21/58/47/378215847.db2.gz CFZIRPLKAIYMPW-UHFFFAOYSA-N 2 1 293.414 3.100 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccs1 ZINC000269031695 378177565 /nfs/dbraw/zinc/17/75/65/378177565.db2.gz RVUHRSLIHHZJNK-GFCCVEGCSA-N 2 1 264.438 3.416 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000269633534 378246490 /nfs/dbraw/zinc/24/64/90/378246490.db2.gz VMIMUSGVFMCPJZ-DUXPYHPUSA-N 2 1 273.355 3.024 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC=C(c2ccccn2)C1 ZINC000583573265 378331929 /nfs/dbraw/zinc/33/19/29/378331929.db2.gz PDFFVFQGQLOULL-KRWDZBQOSA-N 2 1 285.435 3.045 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC=C(c2ccccn2)C1 ZINC000583573265 378331934 /nfs/dbraw/zinc/33/19/34/378331934.db2.gz PDFFVFQGQLOULL-KRWDZBQOSA-N 2 1 285.435 3.045 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000583573265 378331942 /nfs/dbraw/zinc/33/19/42/378331942.db2.gz PDFFVFQGQLOULL-KRWDZBQOSA-N 2 1 285.435 3.045 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC=C(c2ccccn2)C1 ZINC000583573265 378331946 /nfs/dbraw/zinc/33/19/46/378331946.db2.gz PDFFVFQGQLOULL-KRWDZBQOSA-N 2 1 285.435 3.045 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cnn1C(C)C ZINC000345682898 378343060 /nfs/dbraw/zinc/34/30/60/378343060.db2.gz NHHFULKMPJNEGP-CQSZACIVSA-N 2 1 280.460 3.153 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cnn1C(C)C ZINC000345682898 378343065 /nfs/dbraw/zinc/34/30/65/378343065.db2.gz NHHFULKMPJNEGP-CQSZACIVSA-N 2 1 280.460 3.153 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000345798647 378372865 /nfs/dbraw/zinc/37/28/65/378372865.db2.gz PWTHAQYXCUKVJU-UHFFFAOYSA-N 2 1 293.430 3.165 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000270705997 378390417 /nfs/dbraw/zinc/39/04/17/378390417.db2.gz YRVXGSNLJDJFNM-SFHVURJKSA-N 2 1 298.434 3.158 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000270705997 378390420 /nfs/dbraw/zinc/39/04/20/378390420.db2.gz YRVXGSNLJDJFNM-SFHVURJKSA-N 2 1 298.434 3.158 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1C ZINC000271811112 378505855 /nfs/dbraw/zinc/50/58/55/378505855.db2.gz AURMGRXDZNXLLL-OAHLLOKOSA-N 2 1 258.409 3.216 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000271912248 378514679 /nfs/dbraw/zinc/51/46/79/378514679.db2.gz YCTJJKJFWRKREW-MSOLQXFVSA-N 2 1 288.410 3.313 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000346319526 378541960 /nfs/dbraw/zinc/54/19/60/378541960.db2.gz YIDXHRUJVHWUJB-KRWDZBQOSA-N 2 1 269.392 3.033 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1C)C1CC1 ZINC000346300739 378536805 /nfs/dbraw/zinc/53/68/05/378536805.db2.gz CFMNHOJXQLHCHD-UHFFFAOYSA-N 2 1 269.392 3.165 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000346300739 378536807 /nfs/dbraw/zinc/53/68/07/378536807.db2.gz CFMNHOJXQLHCHD-UHFFFAOYSA-N 2 1 269.392 3.165 20 0 CGADMP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272435641 378636930 /nfs/dbraw/zinc/63/69/30/378636930.db2.gz IBQZILVBRNSPGU-CRAIPNDOSA-N 2 1 272.436 3.287 20 0 CGADMP CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274800 378602776 /nfs/dbraw/zinc/60/27/76/378602776.db2.gz CBBNOPOLDQCUSE-YQQAZPJKSA-N 2 1 260.425 3.285 20 0 CGADMP C[C@@H]([NH2+]C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272576160 378668350 /nfs/dbraw/zinc/66/83/50/378668350.db2.gz PVCZIIFDSDTVKD-ZBFHGGJFSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000346690207 378677389 /nfs/dbraw/zinc/67/73/89/378677389.db2.gz STZSNEMBVGINJP-WDEREUQCSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000346690207 378677397 /nfs/dbraw/zinc/67/73/97/378677397.db2.gz STZSNEMBVGINJP-WDEREUQCSA-N 2 1 293.461 3.041 20 0 CGADMP c1cnc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000638114004 378704614 /nfs/dbraw/zinc/70/46/14/378704614.db2.gz WECWCCFQVYMHEY-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3ncccc23)[C@H](C)C1 ZINC000638114689 378704696 /nfs/dbraw/zinc/70/46/96/378704696.db2.gz LADOLHSNPGIEBJ-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3ncccc23)[C@H](C)C1 ZINC000638114689 378704703 /nfs/dbraw/zinc/70/47/03/378704703.db2.gz LADOLHSNPGIEBJ-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3ncccc23)[C@H](C)C1 ZINC000638114689 378704711 /nfs/dbraw/zinc/70/47/11/378704711.db2.gz LADOLHSNPGIEBJ-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(C2CC2)no1 ZINC000638366261 378780162 /nfs/dbraw/zinc/78/01/62/378780162.db2.gz MHSBHRHZMUONKO-CQSZACIVSA-N 2 1 291.439 3.296 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638368538 378781306 /nfs/dbraw/zinc/78/13/06/378781306.db2.gz AHIYSXXASCDZGM-LJISPDSOSA-N 2 1 288.426 3.378 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000346821476 218025035 /nfs/dbraw/zinc/02/50/35/218025035.db2.gz AELAUFNOHNJSLW-HNNXBMFYSA-N 2 1 278.415 3.426 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@@H]12 ZINC000346829869 218029491 /nfs/dbraw/zinc/02/94/91/218029491.db2.gz OEJOMPLHXLFICF-BPLDGKMQSA-N 2 1 272.417 3.070 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000348249333 378863930 /nfs/dbraw/zinc/86/39/30/378863930.db2.gz WPPKFIHLIQUWHF-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000348249333 378863932 /nfs/dbraw/zinc/86/39/32/378863932.db2.gz WPPKFIHLIQUWHF-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000348302440 378895491 /nfs/dbraw/zinc/89/54/91/378895491.db2.gz NKGCHKIODHDRDM-WBVHZDCISA-N 2 1 293.430 3.211 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274866606 378909614 /nfs/dbraw/zinc/90/96/14/378909614.db2.gz DUSLVDXBGCRCJX-GFCCVEGCSA-N 2 1 292.814 3.371 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)F)cc1 ZINC000348331536 378912713 /nfs/dbraw/zinc/91/27/13/378912713.db2.gz KAASASNBGHCPPA-COLVAYQJSA-N 2 1 291.345 3.485 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000346997192 218084346 /nfs/dbraw/zinc/08/43/46/218084346.db2.gz CNLIOXPCPKIUJX-DOMZBBRYSA-N 2 1 272.392 3.164 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348434940 378953944 /nfs/dbraw/zinc/95/39/44/378953944.db2.gz WLNLEIQGYKYMMR-LEUOFYLZSA-N 2 1 290.426 3.377 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275293800 378955937 /nfs/dbraw/zinc/95/59/37/378955937.db2.gz PCIIFNBMVDRFBO-RHSMWYFYSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275293800 378955938 /nfs/dbraw/zinc/95/59/38/378955938.db2.gz PCIIFNBMVDRFBO-RHSMWYFYSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275293800 378955941 /nfs/dbraw/zinc/95/59/41/378955941.db2.gz PCIIFNBMVDRFBO-RHSMWYFYSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275293800 378955943 /nfs/dbraw/zinc/95/59/43/378955943.db2.gz PCIIFNBMVDRFBO-RHSMWYFYSA-N 2 1 260.425 3.021 20 0 CGADMP CCCc1csc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000494000524 535452184 /nfs/dbraw/zinc/45/21/84/535452184.db2.gz SAJWYNNGNLNUAL-GFCCVEGCSA-N 2 1 292.452 3.026 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000347016833 218093473 /nfs/dbraw/zinc/09/34/73/218093473.db2.gz ZFLGLNOCRXUWFX-FMKPAKJESA-N 2 1 276.399 3.003 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000235232019 296285253 /nfs/dbraw/zinc/28/52/53/296285253.db2.gz RLWCQXKPXVKLEP-TUVASFSCSA-N 2 1 250.430 3.028 20 0 CGADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3ccsc32)CC1 ZINC000276982706 379037040 /nfs/dbraw/zinc/03/70/40/379037040.db2.gz FVVZSEQZDLOLNG-GFCCVEGCSA-N 2 1 275.421 3.217 20 0 CGADMP COc1cccc(C)c1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000639115025 379038477 /nfs/dbraw/zinc/03/84/77/379038477.db2.gz ROWSSXYHCLBAOU-MRXNPFEDSA-N 2 1 298.386 3.052 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000277061140 379058330 /nfs/dbraw/zinc/05/83/30/379058330.db2.gz DCYQYDJZTFWBJS-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000347349650 218199649 /nfs/dbraw/zinc/19/96/49/218199649.db2.gz ZXKZTGAXCQELHM-UHFFFAOYSA-N 2 1 271.408 3.147 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC000277096847 379067185 /nfs/dbraw/zinc/06/71/85/379067185.db2.gz GGRVJNZIMFSGTN-GOSISDBHSA-N 2 1 274.452 3.425 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000639204609 379135412 /nfs/dbraw/zinc/13/54/12/379135412.db2.gz UHZCLKJDAUMYEP-GUDVDZBRSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000639204609 379135425 /nfs/dbraw/zinc/13/54/25/379135425.db2.gz UHZCLKJDAUMYEP-GUDVDZBRSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000639204609 379135433 /nfs/dbraw/zinc/13/54/33/379135433.db2.gz UHZCLKJDAUMYEP-GUDVDZBRSA-N 2 1 284.447 3.208 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277270576 379115269 /nfs/dbraw/zinc/11/52/69/379115269.db2.gz RQSQDUBOODKMMZ-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277270576 379115279 /nfs/dbraw/zinc/11/52/79/379115279.db2.gz RQSQDUBOODKMMZ-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP c1ccc2c(c1)C=C(CNC[C@H]1CCCC[N@@H+]1C1CC1)CO2 ZINC000277519839 379180353 /nfs/dbraw/zinc/18/03/53/379180353.db2.gz SMEGCEFDRYVWDI-GOSISDBHSA-N 2 1 298.430 3.069 20 0 CGADMP c1ccc2c(c1)C=C(CNC[C@H]1CCCC[N@H+]1C1CC1)CO2 ZINC000277519839 379180360 /nfs/dbraw/zinc/18/03/60/379180360.db2.gz SMEGCEFDRYVWDI-GOSISDBHSA-N 2 1 298.430 3.069 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1coc2ccccc12 ZINC000349367173 379252087 /nfs/dbraw/zinc/25/20/87/379252087.db2.gz LAXYHHSQUOFTKL-UHFFFAOYSA-N 2 1 260.381 3.206 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1coc2ccccc12 ZINC000349367173 379252097 /nfs/dbraw/zinc/25/20/97/379252097.db2.gz LAXYHHSQUOFTKL-UHFFFAOYSA-N 2 1 260.381 3.206 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000639378440 379337550 /nfs/dbraw/zinc/33/75/50/379337550.db2.gz QJCUTTVNHUGPFN-UHFFFAOYSA-N 2 1 285.435 3.474 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534013 379456879 /nfs/dbraw/zinc/45/68/79/379456879.db2.gz SVSMNVFEZJGMPI-KDOFPFPSSA-N 2 1 289.467 3.169 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534013 379456886 /nfs/dbraw/zinc/45/68/86/379456886.db2.gz SVSMNVFEZJGMPI-KDOFPFPSSA-N 2 1 289.467 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534013 379456900 /nfs/dbraw/zinc/45/69/00/379456900.db2.gz SVSMNVFEZJGMPI-KDOFPFPSSA-N 2 1 289.467 3.169 20 0 CGADMP CC(C)CSCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374622980 379471884 /nfs/dbraw/zinc/47/18/84/379471884.db2.gz MIIHQNYTTPTMOP-UHFFFAOYSA-N 2 1 284.513 3.326 20 0 CGADMP CC(C)CSCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374622980 379471888 /nfs/dbraw/zinc/47/18/88/379471888.db2.gz MIIHQNYTTPTMOP-UHFFFAOYSA-N 2 1 284.513 3.326 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(C)n1 ZINC000639596085 379500381 /nfs/dbraw/zinc/50/03/81/379500381.db2.gz RQXXOBWGKREMNN-QGZVFWFLSA-N 2 1 288.435 3.398 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3ncccc13)C2 ZINC000639660498 379532628 /nfs/dbraw/zinc/53/26/28/379532628.db2.gz UUBXQOZPQLOILI-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3ncccc13)C2 ZINC000639660498 379532634 /nfs/dbraw/zinc/53/26/34/379532634.db2.gz UUBXQOZPQLOILI-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3ncccc13)C2 ZINC000639660498 379532639 /nfs/dbraw/zinc/53/26/39/379532639.db2.gz UUBXQOZPQLOILI-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000279851679 379534276 /nfs/dbraw/zinc/53/42/76/379534276.db2.gz RVZDCWZZOOCCTN-QGZVFWFLSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682605 379545023 /nfs/dbraw/zinc/54/50/23/379545023.db2.gz ZIJJIQYAMDUKTP-HNNXBMFYSA-N 2 1 299.393 3.494 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](C)CC(C)C)cn1 ZINC000377627112 379709934 /nfs/dbraw/zinc/70/99/34/379709934.db2.gz PIQGFVTWIUURSA-AWEZNQCLSA-N 2 1 286.423 3.348 20 0 CGADMP CCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352357056 379778479 /nfs/dbraw/zinc/77/84/79/379778479.db2.gz KAHWSNGOONWFFD-CQSZACIVSA-N 2 1 262.397 3.422 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+](CCn3ccnc3)CC2)cc1 ZINC000378490344 379833046 /nfs/dbraw/zinc/83/30/46/379833046.db2.gz DVULXEQXWHDVEZ-HNNXBMFYSA-N 2 1 287.382 3.292 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392214199 379911712 /nfs/dbraw/zinc/91/17/12/379911712.db2.gz UGDRHWZHYKGDSF-JKSUJKDBSA-N 2 1 250.430 3.053 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCC(C)(C)C2)s1 ZINC000352741735 379934611 /nfs/dbraw/zinc/93/46/11/379934611.db2.gz IHCSJMYYKSCKIT-LBPRGKRZSA-N 2 1 281.469 3.263 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352742343 379934803 /nfs/dbraw/zinc/93/48/03/379934803.db2.gz NNHLXXMOVCWWDL-STQMWFEESA-N 2 1 281.469 3.263 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)s1 ZINC000352760947 379944756 /nfs/dbraw/zinc/94/47/56/379944756.db2.gz BTSANFNQBNKVOD-MELADBBJSA-N 2 1 293.480 3.263 20 0 CGADMP Cc1scc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1C ZINC000399852245 379945489 /nfs/dbraw/zinc/94/54/89/379945489.db2.gz ZJFUGFSMIVRXFL-UHFFFAOYSA-N 2 1 266.454 3.327 20 0 CGADMP CC(C)CC(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352766163 379947919 /nfs/dbraw/zinc/94/79/19/379947919.db2.gz LNMXFRQPDQKENE-UHFFFAOYSA-N 2 1 283.485 3.367 20 0 CGADMP C[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000409445700 380033427 /nfs/dbraw/zinc/03/34/27/380033427.db2.gz RSJRNQZVQDFZBA-MRXNPFEDSA-N 2 1 260.425 3.208 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(C)CCCCC1 ZINC000352947515 380053352 /nfs/dbraw/zinc/05/33/52/380053352.db2.gz QMNGNNFKIHBJKC-UHFFFAOYSA-N 2 1 261.413 3.208 20 0 CGADMP CN1CC[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)[C@H]2C1 ZINC000352969837 380060101 /nfs/dbraw/zinc/06/01/01/380060101.db2.gz BBHPIEPGHAIWQF-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@H]2C1 ZINC000352969837 380060107 /nfs/dbraw/zinc/06/01/07/380060107.db2.gz BBHPIEPGHAIWQF-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@H]2C1 ZINC000352969837 380060112 /nfs/dbraw/zinc/06/01/12/380060112.db2.gz BBHPIEPGHAIWQF-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)[C@H]2C1 ZINC000352969837 380060116 /nfs/dbraw/zinc/06/01/16/380060116.db2.gz BBHPIEPGHAIWQF-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)[C@H]2C1 ZINC000352969837 380060121 /nfs/dbraw/zinc/06/01/21/380060121.db2.gz BBHPIEPGHAIWQF-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](OC)c2ccccc2)C1 ZINC000284408557 380139085 /nfs/dbraw/zinc/13/90/85/380139085.db2.gz NUHGYQWTHXJEDT-AEFFLSMTSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000284408557 380139097 /nfs/dbraw/zinc/13/90/97/380139097.db2.gz NUHGYQWTHXJEDT-AEFFLSMTSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000284408557 380139102 /nfs/dbraw/zinc/13/91/02/380139102.db2.gz NUHGYQWTHXJEDT-AEFFLSMTSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1ccccc1C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000284078919 380124359 /nfs/dbraw/zinc/12/43/59/380124359.db2.gz AZWYAWMAUYDSAM-OXJNMPFZSA-N 2 1 298.474 3.390 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643033875 380206926 /nfs/dbraw/zinc/20/69/26/380206926.db2.gz QUZJDQSHYZVDHT-NHYWBVRUSA-N 2 1 287.794 3.076 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414196898 380201760 /nfs/dbraw/zinc/20/17/60/380201760.db2.gz VNXGQKWJKZHBAI-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000285998396 380157456 /nfs/dbraw/zinc/15/74/56/380157456.db2.gz ILKDEYTZLVKLGX-HZPDHXFCSA-N 2 1 275.440 3.163 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)CC(F)(F)F ZINC000414275056 380207547 /nfs/dbraw/zinc/20/75/47/380207547.db2.gz VXHKXYXPNRQFQI-LOWDOPEQSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1C(C)(C)C1(C)C ZINC000353909763 380229330 /nfs/dbraw/zinc/22/93/30/380229330.db2.gz BPEZJTJSWAMKJE-OLZOCXBDSA-N 2 1 264.457 3.131 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000643467478 380315535 /nfs/dbraw/zinc/31/55/35/380315535.db2.gz KCYZXAVLFUQCTL-QZTJIDSGSA-N 2 1 282.387 3.238 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000414678563 380369546 /nfs/dbraw/zinc/36/95/46/380369546.db2.gz KQCLNWSGWCVIDB-KEYYUXOJSA-N 2 1 276.399 3.351 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682093 380371320 /nfs/dbraw/zinc/37/13/20/380371320.db2.gz XQWGSKULYIYFBI-ZBFHGGJFSA-N 2 1 278.415 3.426 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCOc2ccccc2Cl)CC[NH2+]1 ZINC000414684783 380372217 /nfs/dbraw/zinc/37/22/17/380372217.db2.gz WSTMLZWIIGDELB-ZIAGYGMSSA-N 2 1 296.842 3.039 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000414768418 380396005 /nfs/dbraw/zinc/39/60/05/380396005.db2.gz VAPPQUXJLDEGAI-FHWLQOOXSA-N 2 1 284.447 3.182 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2CC(C)(C)C)CC[NH2+]1 ZINC000414687370 380374277 /nfs/dbraw/zinc/37/42/77/380374277.db2.gz HCHNFUKTFJMSTJ-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](CCc2cccc(F)c2)C2CC2)CC[NH2+]1 ZINC000414696356 380378723 /nfs/dbraw/zinc/37/87/23/380378723.db2.gz HIQXFLUBYBVBDK-HOCLYGCPSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)CCc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414700793 380380367 /nfs/dbraw/zinc/38/03/67/380380367.db2.gz VNULRKVNJRTUOP-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000414708786 380383898 /nfs/dbraw/zinc/38/38/98/380383898.db2.gz PJSWJEYXFCGFQM-YPMHNXCESA-N 2 1 284.806 3.299 20 0 CGADMP CC[N@@H+](C[C@H](C)Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000414713459 380384867 /nfs/dbraw/zinc/38/48/67/380384867.db2.gz KQHJRFKZDAXERK-SJLPKXTDSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000414771748 380397257 /nfs/dbraw/zinc/39/72/57/380397257.db2.gz AJOCCYOJSJITPH-ZWKOTPCHSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000643524357 380341058 /nfs/dbraw/zinc/34/10/58/380341058.db2.gz MDIRVHCRMCJRLH-BPUTZDHNSA-N 2 1 298.434 3.008 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OCCC ZINC000643526239 380342264 /nfs/dbraw/zinc/34/22/64/380342264.db2.gz VUZXQCLUQSSCAZ-ZIAGYGMSSA-N 2 1 294.439 3.262 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000643527044 380343343 /nfs/dbraw/zinc/34/33/43/380343343.db2.gz CGCSVLJUWVLKKB-SJCJKPOMSA-N 2 1 290.357 3.185 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000643528729 380344711 /nfs/dbraw/zinc/34/47/11/380344711.db2.gz NQBDNLMOFSSNQK-NXEZZACHSA-N 2 1 292.370 3.339 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000643528194 380345123 /nfs/dbraw/zinc/34/51/23/380345123.db2.gz FIZGANQYMSLDOX-HUUCEWRRSA-N 2 1 284.403 3.263 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000643529078 380347084 /nfs/dbraw/zinc/34/70/84/380347084.db2.gz ULKHSGAZLNRTNO-DGCLKSJQSA-N 2 1 287.432 3.124 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)c(F)c(F)c1 ZINC000643545826 380357738 /nfs/dbraw/zinc/35/77/38/380357738.db2.gz CQXGVDZGHAPCCE-PWSUYJOCSA-N 2 1 298.352 3.429 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)cc(F)c1 ZINC000643546408 380359980 /nfs/dbraw/zinc/35/99/80/380359980.db2.gz OKWVUYITTQSPMR-XHDPSFHLSA-N 2 1 280.362 3.290 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414666741 380360355 /nfs/dbraw/zinc/36/03/55/380360355.db2.gz GVKGMGMFLSHBMH-WMLDXEAASA-N 2 1 260.425 3.069 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccsc1 ZINC000414812001 380424735 /nfs/dbraw/zinc/42/47/35/380424735.db2.gz KDXJPPRVZYZKJB-TZMCWYRMSA-N 2 1 254.443 3.176 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414814711 380425533 /nfs/dbraw/zinc/42/55/33/380425533.db2.gz WBBGWDTVTRVGJQ-UHFFFAOYSA-N 2 1 295.477 3.479 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1F ZINC000414830634 380439673 /nfs/dbraw/zinc/43/96/73/380439673.db2.gz BGJQRNUGSCKZKA-DZGCQCFKSA-N 2 1 266.404 3.110 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000414851050 380454146 /nfs/dbraw/zinc/45/41/46/380454146.db2.gz OIQSOXBQRSZKCM-RDJZCZTQSA-N 2 1 262.441 3.279 20 0 CGADMP COc1ccccc1-c1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000414780904 380401079 /nfs/dbraw/zinc/40/10/79/380401079.db2.gz UTNFYKNTXJDSBZ-UHFFFAOYSA-N 2 1 296.414 3.284 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414785624 380403036 /nfs/dbraw/zinc/40/30/36/380403036.db2.gz SVVJHXZQLKBBRB-HOTGVXAUSA-N 2 1 290.476 3.230 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414800898 380412034 /nfs/dbraw/zinc/41/20/34/380412034.db2.gz GGDUGNDHNQEUTH-CJNGLKHVSA-N 2 1 260.425 3.070 20 0 CGADMP CC(C)(C)c1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000414808250 380420773 /nfs/dbraw/zinc/42/07/73/380420773.db2.gz SBKWJMPPISOQHB-YPMHNXCESA-N 2 1 281.469 3.048 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414932083 380493799 /nfs/dbraw/zinc/49/37/99/380493799.db2.gz SGCLYFGOPBTNGX-QWRGUYRKSA-N 2 1 266.351 3.085 20 0 CGADMP C[C@@H](C[NH3+])[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414943783 380500340 /nfs/dbraw/zinc/50/03/40/380500340.db2.gz MRBDNBHEPDILOT-LBPRGKRZSA-N 2 1 290.357 3.034 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000415116114 380508420 /nfs/dbraw/zinc/50/84/20/380508420.db2.gz VSDSAZYIBWZEKQ-OLZOCXBDSA-N 2 1 278.827 3.086 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000414860215 380461082 /nfs/dbraw/zinc/46/10/82/380461082.db2.gz OVRZRIWPLQWMJD-OAHLLOKOSA-N 2 1 275.440 3.120 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1C(C)(C)C1(C)C ZINC000355120490 380583606 /nfs/dbraw/zinc/58/36/06/380583606.db2.gz GZUOTIAHKWPGAO-CABCVRRESA-N 2 1 296.499 3.148 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCc1ccsc1 ZINC000355315924 380639212 /nfs/dbraw/zinc/63/92/12/380639212.db2.gz NSNPHPPCBRKKRT-ZIAGYGMSSA-N 2 1 268.470 3.389 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000417308124 380589681 /nfs/dbraw/zinc/58/96/81/380589681.db2.gz FIUDYPWDXKHVOE-ARKGTOAJSA-N 2 1 290.476 3.457 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000417308124 380589685 /nfs/dbraw/zinc/58/96/85/380589685.db2.gz FIUDYPWDXKHVOE-ARKGTOAJSA-N 2 1 290.476 3.457 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000646050414 380810950 /nfs/dbraw/zinc/81/09/50/380810950.db2.gz FBYZEVZBSKHMBG-HOTGVXAUSA-N 2 1 275.440 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000646050414 380810952 /nfs/dbraw/zinc/81/09/52/380810952.db2.gz FBYZEVZBSKHMBG-HOTGVXAUSA-N 2 1 275.440 3.340 20 0 CGADMP COc1ccc(CC[N@@H+](Cc2ccccc2)C[C@H](C)[NH3+])cc1 ZINC000420311024 380847011 /nfs/dbraw/zinc/84/70/11/380847011.db2.gz VRZIVLHZGYPVRH-INIZCTEOSA-N 2 1 298.430 3.087 20 0 CGADMP COc1ccc(CC[N@H+](Cc2ccccc2)C[C@H](C)[NH3+])cc1 ZINC000420311024 380847019 /nfs/dbraw/zinc/84/70/19/380847019.db2.gz VRZIVLHZGYPVRH-INIZCTEOSA-N 2 1 298.430 3.087 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)OC)CC1)CC(C)C ZINC000360201382 381477357 /nfs/dbraw/zinc/47/73/57/381477357.db2.gz ZOYMZHYXENNABL-INIZCTEOSA-N 2 1 284.488 3.101 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000360240551 381494654 /nfs/dbraw/zinc/49/46/54/381494654.db2.gz FYJRIMVRYDYXHD-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000360240551 381494658 /nfs/dbraw/zinc/49/46/58/381494658.db2.gz FYJRIMVRYDYXHD-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1occc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334878675 207231917 /nfs/dbraw/zinc/23/19/17/207231917.db2.gz HOLUKUIQGQLWDQ-MRXNPFEDSA-N 2 1 262.397 3.038 20 0 CGADMP Cc1occc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334878675 207231920 /nfs/dbraw/zinc/23/19/20/207231920.db2.gz HOLUKUIQGQLWDQ-MRXNPFEDSA-N 2 1 262.397 3.038 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000361496956 381775012 /nfs/dbraw/zinc/77/50/12/381775012.db2.gz ODAVQQJYIPNBLP-HRCADAONSA-N 2 1 290.451 3.225 20 0 CGADMP CCC1(CC)C[N@@H+](CC[C@H]2CCC[NH+]2C)CCS1 ZINC000362247051 381919065 /nfs/dbraw/zinc/91/90/65/381919065.db2.gz YBHAEYPSDBMGHS-CQSZACIVSA-N 2 1 270.486 3.078 20 0 CGADMP CCC1(CC)C[NH+](CC[C@H]2CCC[N@@H+]2C)CCS1 ZINC000362247051 381919071 /nfs/dbraw/zinc/91/90/71/381919071.db2.gz YBHAEYPSDBMGHS-CQSZACIVSA-N 2 1 270.486 3.078 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]21 ZINC000228536738 542298985 /nfs/dbraw/zinc/29/89/85/542298985.db2.gz XGEUXKGHNUJECE-CGTJXYLNSA-N 2 1 270.420 3.123 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000364727446 382276258 /nfs/dbraw/zinc/27/62/58/382276258.db2.gz FPBMNTBESJUSCM-ZJPYXAASSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC(C)C)CC2)[C@@H](C)C1 ZINC000246276121 542326367 /nfs/dbraw/zinc/32/63/67/542326367.db2.gz BBZPAMSEHYFUCN-ZGRYLRDCSA-N 2 1 282.472 3.043 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC12CCOCC2)CC(C)C ZINC000368521503 382374559 /nfs/dbraw/zinc/37/45/59/382374559.db2.gz GFXMZABQMDJERJ-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000251657736 542347174 /nfs/dbraw/zinc/34/71/74/542347174.db2.gz FWUSCZNFUZWDOF-MWDXBVQZSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251610044 542347313 /nfs/dbraw/zinc/34/73/13/542347313.db2.gz CBZVJCKXIKEUJY-WCVJEAGWSA-N 2 1 250.430 3.172 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1CCC2 ZINC000250228028 542342138 /nfs/dbraw/zinc/34/21/38/542342138.db2.gz YIGPJBOHRKHRFR-RTBURBONSA-N 2 1 284.447 3.139 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000251213923 542345749 /nfs/dbraw/zinc/34/57/49/542345749.db2.gz DUTJWLWBKYVHBZ-DZGCQCFKSA-N 2 1 264.438 3.021 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@H](C)C1 ZINC000280963589 195047238 /nfs/dbraw/zinc/04/72/38/195047238.db2.gz ZFBIIJUSAPLCFF-MOIQIXESSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccsc3)s2)CC[C@H]1[NH3+] ZINC000335333798 208214840 /nfs/dbraw/zinc/21/48/40/208214840.db2.gz GSMNTCLGXWZVHA-ZWNOBZJWSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccsc3)s2)CC[C@H]1[NH3+] ZINC000335333798 208214845 /nfs/dbraw/zinc/21/48/45/208214845.db2.gz GSMNTCLGXWZVHA-ZWNOBZJWSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccsc3)s2)CC[C@@H]1[NH3+] ZINC000335333797 208215055 /nfs/dbraw/zinc/21/50/55/208215055.db2.gz GSMNTCLGXWZVHA-MFKMUULPSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccsc3)s2)CC[C@@H]1[NH3+] ZINC000335333797 208215059 /nfs/dbraw/zinc/21/50/59/208215059.db2.gz GSMNTCLGXWZVHA-MFKMUULPSA-N 2 1 293.461 3.041 20 0 CGADMP CSc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000358069864 533040035 /nfs/dbraw/zinc/04/00/35/533040035.db2.gz TUFPLWFELLZJJZ-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000358069864 533040043 /nfs/dbraw/zinc/04/00/43/533040043.db2.gz TUFPLWFELLZJJZ-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000358069864 533040048 /nfs/dbraw/zinc/04/00/48/533040048.db2.gz TUFPLWFELLZJJZ-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000358069864 533040052 /nfs/dbraw/zinc/04/00/52/533040052.db2.gz TUFPLWFELLZJJZ-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000353747284 220300674 /nfs/dbraw/zinc/30/06/74/220300674.db2.gz FNNMTLMVIQDFML-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000353747284 220300675 /nfs/dbraw/zinc/30/06/75/220300675.db2.gz FNNMTLMVIQDFML-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000353747284 220300676 /nfs/dbraw/zinc/30/06/76/220300676.db2.gz FNNMTLMVIQDFML-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)s2)C[C@@H]1C ZINC000353756544 220308420 /nfs/dbraw/zinc/30/84/20/220308420.db2.gz VTQVKAPNRKPSTN-GXTWGEPZSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)s2)C[C@@H]1C ZINC000353756544 220308423 /nfs/dbraw/zinc/30/84/23/220308423.db2.gz VTQVKAPNRKPSTN-GXTWGEPZSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)s2)C[C@@H]1C ZINC000353756544 220308426 /nfs/dbraw/zinc/30/84/26/220308426.db2.gz VTQVKAPNRKPSTN-GXTWGEPZSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)s2)C[C@@H]1C ZINC000353756544 220308429 /nfs/dbraw/zinc/30/84/29/220308429.db2.gz VTQVKAPNRKPSTN-GXTWGEPZSA-N 2 1 266.454 3.361 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000414055247 533109967 /nfs/dbraw/zinc/10/99/67/533109967.db2.gz CIQIJXDFPYHXAO-HUUCEWRRSA-N 2 1 288.435 3.139 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423260666 533172174 /nfs/dbraw/zinc/17/21/74/533172174.db2.gz HZBCFUURRDIPIW-GUYCJALGSA-N 2 1 276.424 3.253 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Sc1ccccc1 ZINC000339070532 542485871 /nfs/dbraw/zinc/48/58/71/542485871.db2.gz ZKQTXPHIKHYLST-PMPSAXMXSA-N 2 1 290.476 3.384 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348077731 542514418 /nfs/dbraw/zinc/51/44/18/542514418.db2.gz DZAMDNMFNHGDKI-VNQPRFMTSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000348278085 542517423 /nfs/dbraw/zinc/51/74/23/542517423.db2.gz SXAFPFYSQJGINT-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000348278085 542517427 /nfs/dbraw/zinc/51/74/27/542517427.db2.gz SXAFPFYSQJGINT-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000348278085 542517430 /nfs/dbraw/zinc/51/74/30/542517430.db2.gz SXAFPFYSQJGINT-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000221814048 262299244 /nfs/dbraw/zinc/29/92/44/262299244.db2.gz RRQKDHCCTXBCAP-QWHCGFSZSA-N 2 1 267.442 3.058 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000221814048 262299246 /nfs/dbraw/zinc/29/92/46/262299246.db2.gz RRQKDHCCTXBCAP-QWHCGFSZSA-N 2 1 267.442 3.058 20 0 CGADMP COC[C@]1(C[NH2+][C@@H](CC(C)C)c2ccccc2)CCC[NH2+]1 ZINC000423410775 533236530 /nfs/dbraw/zinc/23/65/30/533236530.db2.gz AJVSBUQQAFFPPC-ZWKOTPCHSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1 ZINC000423174578 533361353 /nfs/dbraw/zinc/36/13/53/533361353.db2.gz BDTOGIDWYFMGHZ-GFCCVEGCSA-N 2 1 250.361 3.138 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(-c2ccccc2)c1 ZINC000423368081 533498283 /nfs/dbraw/zinc/49/82/83/533498283.db2.gz NADKGQSBPYKHHW-UONOGXRCSA-N 2 1 254.377 3.351 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCCCCC1 ZINC000423496173 533510515 /nfs/dbraw/zinc/51/05/15/533510515.db2.gz DNMGZSPOKGYKOK-CJNGLKHVSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(-c2ccccc2)nn1C ZINC000424379232 533519754 /nfs/dbraw/zinc/51/97/54/533519754.db2.gz VBJNRYQNFNCKGH-FVQBIDKESA-N 2 1 298.434 3.008 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)s1 ZINC000423375540 533546551 /nfs/dbraw/zinc/54/65/51/533546551.db2.gz KSAOLBMWTKJIEY-BBBLOLIVSA-N 2 1 258.818 3.193 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000371734676 542590313 /nfs/dbraw/zinc/59/03/13/542590313.db2.gz GVXMSNDSTMNJPR-BHYGNILZSA-N 2 1 288.435 3.281 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc(C)sc1C ZINC000049684959 392057024 /nfs/dbraw/zinc/05/70/24/392057024.db2.gz YQPGOEVSTBHVIA-UHFFFAOYSA-N 2 1 254.443 3.186 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000071117658 392187981 /nfs/dbraw/zinc/18/79/81/392187981.db2.gz JFUMNUVJZAUIFF-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000071117671 392188341 /nfs/dbraw/zinc/18/83/41/392188341.db2.gz JFUMNUVJZAUIFF-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000071111688 392188475 /nfs/dbraw/zinc/18/84/75/392188475.db2.gz XAYPCJGPECWLAW-QKPAOTATSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000071111688 392188482 /nfs/dbraw/zinc/18/84/82/392188482.db2.gz XAYPCJGPECWLAW-QKPAOTATSA-N 2 1 250.430 3.172 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000071142361 392188837 /nfs/dbraw/zinc/18/88/37/392188837.db2.gz FAHWDGOYZCXIOZ-LSDHHAIUSA-N 2 1 260.425 3.412 20 0 CGADMP CCC1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000071376607 392190396 /nfs/dbraw/zinc/19/03/96/392190396.db2.gz ZZHHSKOTUOLNQO-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CCC1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000071376607 392190400 /nfs/dbraw/zinc/19/04/00/392190400.db2.gz ZZHHSKOTUOLNQO-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000106868904 392310767 /nfs/dbraw/zinc/31/07/67/392310767.db2.gz OAKPDLWGHCTBLU-SSHXOBKSSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2[nH]1 ZINC000285808603 392331867 /nfs/dbraw/zinc/33/18/67/392331867.db2.gz WHOHUQWUGBDQSF-BBRMVZONSA-N 2 1 271.408 3.049 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC2(C)CCC2)C1 ZINC000434760852 542655736 /nfs/dbraw/zinc/65/57/36/542655736.db2.gz UBSWXQCOIXQIAP-OAHLLOKOSA-N 2 1 252.446 3.278 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]CC1(C)CCC1)C1CCCCC1 ZINC000434767283 542656121 /nfs/dbraw/zinc/65/61/21/542656121.db2.gz VJZRIQPGARJTGB-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126323158 392441729 /nfs/dbraw/zinc/44/17/29/392441729.db2.gz OGCIJJFZGALCOF-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000131499933 392457301 /nfs/dbraw/zinc/45/73/01/392457301.db2.gz NOORJRXXGFHGIM-JKIFEVAISA-N 2 1 292.442 3.422 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCSc2c(F)cccc21)C[NH+](C)C ZINC000293730229 392526678 /nfs/dbraw/zinc/52/66/78/392526678.db2.gz QACPYLVYRCMVMF-RISCZKNCSA-N 2 1 282.428 3.150 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000367127853 392472470 /nfs/dbraw/zinc/47/24/70/392472470.db2.gz VSTSYQGHGCKNLO-IKGGRYGDSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151851701 392486061 /nfs/dbraw/zinc/48/60/61/392486061.db2.gz KSWDBGLNXXMWHU-YRGRVCCFSA-N 2 1 282.378 3.141 20 0 CGADMP Cc1ccc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000374650388 392685275 /nfs/dbraw/zinc/68/52/75/392685275.db2.gz XMUWXSQIZXGOIL-SFHVURJKSA-N 2 1 287.451 3.054 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000647343824 392692629 /nfs/dbraw/zinc/69/26/29/392692629.db2.gz CUZRWPWBRIEZQO-SQNIBIBYSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000311805553 392661030 /nfs/dbraw/zinc/66/10/30/392661030.db2.gz AJYOTZHRJXRIBP-UONOGXRCSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000311805553 392661039 /nfs/dbraw/zinc/66/10/39/392661039.db2.gz AJYOTZHRJXRIBP-UONOGXRCSA-N 2 1 266.404 3.075 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000334430222 392727544 /nfs/dbraw/zinc/72/75/44/392727544.db2.gz ZXBWSBRJOJJHJI-HIFRSBDPSA-N 2 1 280.362 3.209 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000334430222 392727550 /nfs/dbraw/zinc/72/75/50/392727550.db2.gz ZXBWSBRJOJJHJI-HIFRSBDPSA-N 2 1 280.362 3.209 20 0 CGADMP C[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482393 392736106 /nfs/dbraw/zinc/73/61/06/392736106.db2.gz BBPCGFHCPYJOAD-AWEZNQCLSA-N 2 1 258.409 3.007 20 0 CGADMP COCC[C@H]1CCCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000375106174 392738188 /nfs/dbraw/zinc/73/81/88/392738188.db2.gz SJQIUTJKTVVABN-QGZVFWFLSA-N 2 1 293.455 3.110 20 0 CGADMP COCC[C@H]1CCCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000375106174 392738196 /nfs/dbraw/zinc/73/81/96/392738196.db2.gz SJQIUTJKTVVABN-QGZVFWFLSA-N 2 1 293.455 3.110 20 0 CGADMP Fc1ccc2oc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2c1 ZINC000647483044 392739151 /nfs/dbraw/zinc/73/91/51/392739151.db2.gz UFTBTAMLTNRBGQ-UHFFFAOYSA-N 2 1 288.366 3.288 20 0 CGADMP Fc1ccc2oc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2c1 ZINC000647483044 392739152 /nfs/dbraw/zinc/73/91/52/392739152.db2.gz UFTBTAMLTNRBGQ-UHFFFAOYSA-N 2 1 288.366 3.288 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1C ZINC000647483002 392739216 /nfs/dbraw/zinc/73/92/16/392739216.db2.gz QNDKQYSTXLDSFC-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1[NH3+] ZINC000647498680 392742680 /nfs/dbraw/zinc/74/26/80/392742680.db2.gz MZORTZYENWBJQF-DOMZBBRYSA-N 2 1 274.433 3.461 20 0 CGADMP CC[C@H]1C[N@H+](Cc2cnc(C3CCCC3)s2)CC[C@@H]1[NH3+] ZINC000647498206 392742745 /nfs/dbraw/zinc/74/27/45/392742745.db2.gz COWOJPFNHBGKOY-WFASDCNBSA-N 2 1 293.480 3.360 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CC[C@@H]1[NH3+] ZINC000647498206 392742749 /nfs/dbraw/zinc/74/27/49/392742749.db2.gz COWOJPFNHBGKOY-WFASDCNBSA-N 2 1 293.480 3.360 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000647512931 392744490 /nfs/dbraw/zinc/74/44/90/392744490.db2.gz SWQIFNPJGYOWSF-CQSZACIVSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000647512931 392744493 /nfs/dbraw/zinc/74/44/93/392744493.db2.gz SWQIFNPJGYOWSF-CQSZACIVSA-N 2 1 286.341 3.137 20 0 CGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000182376451 392744650 /nfs/dbraw/zinc/74/46/50/392744650.db2.gz SEJLIUBJAMVQGT-FZKQIMNGSA-N 2 1 288.410 3.277 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542724 392760569 /nfs/dbraw/zinc/76/05/69/392760569.db2.gz AOBJXZBIIRKTKY-ZWKOTPCHSA-N 2 1 272.436 3.207 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543946 392760634 /nfs/dbraw/zinc/76/06/34/392760634.db2.gz USSISITWMOSUFD-GJZGRUSLSA-N 2 1 278.465 3.268 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC000647543572 392760950 /nfs/dbraw/zinc/76/09/50/392760950.db2.gz PPSXVFMOVUZRNB-ZIAGYGMSSA-N 2 1 294.389 3.176 20 0 CGADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000647937019 392837597 /nfs/dbraw/zinc/83/75/97/392837597.db2.gz PRQRUDKNHAAGOJ-JONQDZQNSA-N 2 1 252.446 3.262 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000375887242 392837670 /nfs/dbraw/zinc/83/76/70/392837670.db2.gz IMRLHMZTZDYPHN-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH]c2nc[nH+]c(NCc3ccc([C@@H](C)[NH3+])cc3)c2c1C ZINC000647705853 392787278 /nfs/dbraw/zinc/78/72/78/392787278.db2.gz QZDYZDYZMXHGDC-LLVKDONJSA-N 2 1 295.390 3.207 20 0 CGADMP C[C@@H](F)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000375723971 392810473 /nfs/dbraw/zinc/81/04/73/392810473.db2.gz SXAVBZDYTUERLV-OAHLLOKOSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@@H](F)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000375723971 392810480 /nfs/dbraw/zinc/81/04/80/392810480.db2.gz SXAVBZDYTUERLV-OAHLLOKOSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000510734784 392813369 /nfs/dbraw/zinc/81/33/69/392813369.db2.gz ODGHVDJODLMZTP-MGPQQGTHSA-N 2 1 296.405 3.358 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000510734784 392813375 /nfs/dbraw/zinc/81/33/75/392813375.db2.gz ODGHVDJODLMZTP-MGPQQGTHSA-N 2 1 296.405 3.358 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000510753999 392814512 /nfs/dbraw/zinc/81/45/12/392814512.db2.gz MVZCNOZPDGCIBM-RCCFBDPRSA-N 2 1 276.468 3.419 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000510753999 392814515 /nfs/dbraw/zinc/81/45/15/392814515.db2.gz MVZCNOZPDGCIBM-RCCFBDPRSA-N 2 1 276.468 3.419 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCF)CC1 ZINC000375789087 392821032 /nfs/dbraw/zinc/82/10/32/392821032.db2.gz SUWOXZOAFCYLCE-UHFFFAOYSA-N 2 1 278.415 3.379 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000647881547 392825248 /nfs/dbraw/zinc/82/52/48/392825248.db2.gz GGDROQMEVOJUMK-ZIAGYGMSSA-N 2 1 272.392 3.425 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1C ZINC000647888032 392827422 /nfs/dbraw/zinc/82/74/22/392827422.db2.gz CYWPRYJNWVWCAO-WBVHZDCISA-N 2 1 258.409 3.050 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903023 392828493 /nfs/dbraw/zinc/82/84/93/392828493.db2.gz DYEVWNVBQAUQKY-ROUUACIJSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1cc(C)cc(OCCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000193813414 392886681 /nfs/dbraw/zinc/88/66/81/392886681.db2.gz XQCLCVJWNGONIC-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCC(C)(C)C ZINC000648059748 392893628 /nfs/dbraw/zinc/89/36/28/392893628.db2.gz HJFYUBQYTOBFMU-UHFFFAOYSA-N 2 1 286.423 3.444 20 0 CGADMP Cc1ccc(CCC[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)cn1 ZINC000648077565 392907392 /nfs/dbraw/zinc/90/73/92/392907392.db2.gz XYCAVOJITAGWGP-MRXNPFEDSA-N 2 1 288.435 3.356 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC2CCC1CC2 ZINC000381574340 392911882 /nfs/dbraw/zinc/91/18/82/392911882.db2.gz ZOUSIPJICZUJDO-VMNICZJSSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC2CCC1CC2 ZINC000381831575 392914869 /nfs/dbraw/zinc/91/48/69/392914869.db2.gz GGQALNKVQNGNMZ-PYOSLDJPSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977066 392855810 /nfs/dbraw/zinc/85/58/10/392855810.db2.gz XPTNESCMPDCYOJ-NXHRZFHOSA-N 2 1 272.436 3.459 20 0 CGADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647995368 392860241 /nfs/dbraw/zinc/86/02/41/392860241.db2.gz RQHZLKWRTBWZAB-HRCADAONSA-N 2 1 264.457 3.134 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCc1cncn1C ZINC000519648948 392877445 /nfs/dbraw/zinc/87/74/45/392877445.db2.gz RYFHNANTUJOFTJ-ZBFHGGJFSA-N 2 1 263.429 3.253 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCc1c[nH+]cn1C ZINC000519648948 392877450 /nfs/dbraw/zinc/87/74/50/392877450.db2.gz RYFHNANTUJOFTJ-ZBFHGGJFSA-N 2 1 263.429 3.253 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCc1c[nH+]cn1C ZINC000519648948 392877454 /nfs/dbraw/zinc/87/74/54/392877454.db2.gz RYFHNANTUJOFTJ-ZBFHGGJFSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC12CCC2 ZINC000337414270 392883483 /nfs/dbraw/zinc/88/34/83/392883483.db2.gz YFGIGDWCHYIXNE-FZKCQIBNSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC12CCC2 ZINC000337414270 392883490 /nfs/dbraw/zinc/88/34/90/392883490.db2.gz YFGIGDWCHYIXNE-FZKCQIBNSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1cc2cc(CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)oc2cc1C ZINC000194536669 392927305 /nfs/dbraw/zinc/92/73/05/392927305.db2.gz IIZGFIBZWYHWKB-IYBDPMFKSA-N 2 1 284.403 3.043 20 0 CGADMP Cc1cc2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)oc2cc1C ZINC000194536669 392927318 /nfs/dbraw/zinc/92/73/18/392927318.db2.gz IIZGFIBZWYHWKB-IYBDPMFKSA-N 2 1 284.403 3.043 20 0 CGADMP Cc1cc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)oc2cc1C ZINC000194536669 392927321 /nfs/dbraw/zinc/92/73/21/392927321.db2.gz IIZGFIBZWYHWKB-IYBDPMFKSA-N 2 1 284.403 3.043 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000513756564 542732876 /nfs/dbraw/zinc/73/28/76/542732876.db2.gz YVOCPTFSFXYANM-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC2CCC2)C[C@@H]1c1ccccc1 ZINC000340194620 392966498 /nfs/dbraw/zinc/96/64/98/392966498.db2.gz AEAOTNXWQGHWNL-DLBZAZTESA-N 2 1 258.409 3.212 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC2)C[C@@H]1c1ccccc1 ZINC000340194620 392966504 /nfs/dbraw/zinc/96/65/04/392966504.db2.gz AEAOTNXWQGHWNL-DLBZAZTESA-N 2 1 258.409 3.212 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2cc(F)ccc21 ZINC000343612774 393030245 /nfs/dbraw/zinc/03/02/45/393030245.db2.gz QQSVNFZMICZAHJ-DZGCQCFKSA-N 2 1 299.393 3.437 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)CCO1 ZINC000648418486 393009225 /nfs/dbraw/zinc/00/92/25/393009225.db2.gz ZALFBHHDGXUCQI-KZNAEPCWSA-N 2 1 296.499 3.290 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000347012244 393098400 /nfs/dbraw/zinc/09/84/00/393098400.db2.gz VSBZOOGTENNJJH-TZMCWYRMSA-N 2 1 293.480 3.014 20 0 CGADMP CCCCc1oc2ccccc2c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020392 393100205 /nfs/dbraw/zinc/10/02/05/393100205.db2.gz ATERLSLUAKTVLH-HWWDLCQESA-N 2 1 284.403 3.083 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C)[C@@H](C)C1 ZINC000467432865 393100570 /nfs/dbraw/zinc/10/05/70/393100570.db2.gz FZNBKMXECNUSQI-OWSLCNJRSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1F ZINC000415032869 393105195 /nfs/dbraw/zinc/10/51/95/393105195.db2.gz BDAGTJYSANHHLS-WBVHZDCISA-N 2 1 276.399 3.098 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414171124 393042011 /nfs/dbraw/zinc/04/20/11/393042011.db2.gz CQTYOJLYNBBZTQ-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414654682 393050582 /nfs/dbraw/zinc/05/05/82/393050582.db2.gz CJYCYZHDCMPBLY-AHCXZYCDSA-N 2 1 272.436 3.166 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246149628 393052526 /nfs/dbraw/zinc/05/25/26/393052526.db2.gz BXMLNUZVBMDAPT-OFQRWUPVSA-N 2 1 296.480 3.146 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246149628 393052534 /nfs/dbraw/zinc/05/25/34/393052534.db2.gz BXMLNUZVBMDAPT-OFQRWUPVSA-N 2 1 296.480 3.146 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000414835758 393056613 /nfs/dbraw/zinc/05/66/13/393056613.db2.gz HSXPGBKMKKCRSH-MWQQHZPXSA-N 2 1 260.425 3.142 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415036211 393107215 /nfs/dbraw/zinc/10/72/15/393107215.db2.gz FNCLZANRFRKWDI-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000246986579 393069121 /nfs/dbraw/zinc/06/91/21/393069121.db2.gz KKBAOVDVSGDLKW-WPGHFRTFSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000246986579 393069130 /nfs/dbraw/zinc/06/91/30/393069130.db2.gz KKBAOVDVSGDLKW-WPGHFRTFSA-N 2 1 278.827 3.400 20 0 CGADMP CC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414966928 393070882 /nfs/dbraw/zinc/07/08/82/393070882.db2.gz WVYDQXCKJHMKBP-RBOXIYTFSA-N 2 1 282.378 3.046 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000247260897 393073211 /nfs/dbraw/zinc/07/32/11/393073211.db2.gz ZERAIUAXYKNGKX-CBBWQLFWSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247260897 393073221 /nfs/dbraw/zinc/07/32/21/393073221.db2.gz ZERAIUAXYKNGKX-CBBWQLFWSA-N 2 1 270.486 3.123 20 0 CGADMP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)c1ccccc1 ZINC000348079034 393112165 /nfs/dbraw/zinc/11/21/65/393112165.db2.gz PYZLRZRTTMYIKI-AEFFLSMTSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)c1ccccc1 ZINC000348079034 393112173 /nfs/dbraw/zinc/11/21/73/393112173.db2.gz PYZLRZRTTMYIKI-AEFFLSMTSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)c1ccccc1 ZINC000348079034 393112180 /nfs/dbraw/zinc/11/21/80/393112180.db2.gz PYZLRZRTTMYIKI-AEFFLSMTSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)c1ccccc1 ZINC000348079034 393112185 /nfs/dbraw/zinc/11/21/85/393112185.db2.gz PYZLRZRTTMYIKI-AEFFLSMTSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cc2s1 ZINC000415061743 393122240 /nfs/dbraw/zinc/12/22/40/393122240.db2.gz XECFLUYOCWEHBV-BDJLRTHQSA-N 2 1 289.448 3.021 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000415060171 393122298 /nfs/dbraw/zinc/12/22/98/393122298.db2.gz YHNRHKWBLPOROJ-UWWQBHOKSA-N 2 1 290.426 3.393 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415067383 393126234 /nfs/dbraw/zinc/12/62/34/393126234.db2.gz OZYNSJFKUVZCCZ-BLLLJJGKSA-N 2 1 280.843 3.378 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C[C@H]1c1ccccc1 ZINC000415069779 393128164 /nfs/dbraw/zinc/12/81/64/393128164.db2.gz UAUPVUDLNMIKID-LIRZEXBASA-N 2 1 272.436 3.286 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415073067 393130130 /nfs/dbraw/zinc/13/01/30/393130130.db2.gz YYNYPXFTASOQRI-ROUUACIJSA-N 2 1 274.452 3.423 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000415133478 393155888 /nfs/dbraw/zinc/15/58/88/393155888.db2.gz NAMFBAPBPXROPS-UHFFFAOYSA-N 2 1 274.433 3.456 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000415133478 393155894 /nfs/dbraw/zinc/15/58/94/393155894.db2.gz NAMFBAPBPXROPS-UHFFFAOYSA-N 2 1 274.433 3.456 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269041942 393219194 /nfs/dbraw/zinc/21/91/94/393219194.db2.gz VNUGQLCSODYYCD-NVXWUHKLSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000469849812 393221216 /nfs/dbraw/zinc/22/12/16/393221216.db2.gz CCROANZPMBDGOP-ZBFHGGJFSA-N 2 1 288.435 3.177 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000268857972 393207011 /nfs/dbraw/zinc/20/70/11/393207011.db2.gz ZTAMCSDRTGXWHR-KRWDZBQOSA-N 2 1 289.398 3.188 20 0 CGADMP CCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471835227 393315193 /nfs/dbraw/zinc/31/51/93/393315193.db2.gz UXCXKTIFHYOXRP-DLBZAZTESA-N 2 1 260.425 3.069 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278952611 393329154 /nfs/dbraw/zinc/32/91/54/393329154.db2.gz LMTIISBDKMTJGY-HUUCEWRRSA-N 2 1 299.418 3.113 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000417308126 393347392 /nfs/dbraw/zinc/34/73/92/393347392.db2.gz FIUDYPWDXKHVOE-RBZJEDDUSA-N 2 1 290.476 3.457 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000417308126 393347409 /nfs/dbraw/zinc/34/74/09/393347409.db2.gz FIUDYPWDXKHVOE-RBZJEDDUSA-N 2 1 290.476 3.457 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000474809565 393349831 /nfs/dbraw/zinc/34/98/31/393349831.db2.gz MKCOQVOLZFCNEX-RHSMWYFYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000474809565 393349839 /nfs/dbraw/zinc/34/98/39/393349839.db2.gz MKCOQVOLZFCNEX-RHSMWYFYSA-N 2 1 264.457 3.419 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000474805938 393350279 /nfs/dbraw/zinc/35/02/79/393350279.db2.gz DAACQLSTPAACPT-MQVJKMGUSA-N 2 1 290.426 3.493 20 0 CGADMP CSc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000356159098 393363486 /nfs/dbraw/zinc/36/34/86/393363486.db2.gz GAMNKPQPJRLVOE-NSHDSACASA-N 2 1 282.478 3.044 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000420395180 393482333 /nfs/dbraw/zinc/48/23/33/393482333.db2.gz CYNOTRLKHQGETB-UWVGGRQHSA-N 2 1 273.207 3.254 20 0 CGADMP Clc1ccccc1C[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420298292 393452857 /nfs/dbraw/zinc/45/28/57/393452857.db2.gz DWQVSMFEAOXUPP-GOEBONIOSA-N 2 1 292.854 3.347 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420298102 393453278 /nfs/dbraw/zinc/45/32/78/393453278.db2.gz GSLHKKKCZIKGDK-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(OC(F)F)cc1 ZINC000420300441 393455553 /nfs/dbraw/zinc/45/55/53/393455553.db2.gz HKGAKJYZNNZHTR-ZDUSSCGKSA-N 2 1 298.377 3.110 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420306013 393457676 /nfs/dbraw/zinc/45/76/76/393457676.db2.gz QGDRAKCPKRMVKL-QZTJIDSGSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320237 393465642 /nfs/dbraw/zinc/46/56/42/393465642.db2.gz BBMKMADDYRUMRK-SNPRPXQTSA-N 2 1 294.389 3.347 20 0 CGADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(F)c1 ZINC000420328312 393467861 /nfs/dbraw/zinc/46/78/61/393467861.db2.gz ZDGLJPWHSDNILQ-OAHLLOKOSA-N 2 1 278.415 3.426 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420335041 393469662 /nfs/dbraw/zinc/46/96/62/393469662.db2.gz USYUPXQXHUSINK-SJORKVTESA-N 2 1 290.426 3.080 20 0 CGADMP c1ccc2cc(CC[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420353570 393471563 /nfs/dbraw/zinc/47/15/63/393471563.db2.gz BDLPJGFUEHHWNK-FQEVSTJZSA-N 2 1 294.442 3.458 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000429534124 393475194 /nfs/dbraw/zinc/47/51/94/393475194.db2.gz COZAXWGKFPFMLT-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1cccc2ccccc21 ZINC000420372566 393477037 /nfs/dbraw/zinc/47/70/37/393477037.db2.gz YGRABCJZMILGKM-QGZVFWFLSA-N 2 1 286.419 3.182 20 0 CGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420367791 393477083 /nfs/dbraw/zinc/47/70/83/393477083.db2.gz WDHJHIJNHZMSAN-YOEHRIQHSA-N 2 1 278.415 3.454 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248957 393412038 /nfs/dbraw/zinc/41/20/38/393412038.db2.gz SRZKYTBEHYUZHI-HPBDAGMYSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488409169 393501796 /nfs/dbraw/zinc/50/17/96/393501796.db2.gz ISSZCOYVKNCNJT-CABCVRRESA-N 2 1 295.496 3.482 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430127221 393526990 /nfs/dbraw/zinc/52/69/90/393526990.db2.gz OVLOUQLIRTYYSN-RBUKOAKNSA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430127221 393526993 /nfs/dbraw/zinc/52/69/93/393526993.db2.gz OVLOUQLIRTYYSN-RBUKOAKNSA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430127221 393526997 /nfs/dbraw/zinc/52/69/97/393526997.db2.gz OVLOUQLIRTYYSN-RBUKOAKNSA-N 2 1 286.463 3.454 20 0 CGADMP CCOc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1 ZINC000657488221 542795456 /nfs/dbraw/zinc/79/54/56/542795456.db2.gz PWDOSIRLEJYXNG-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430552827 393575282 /nfs/dbraw/zinc/57/52/82/393575282.db2.gz BUUUHIYTDBQACH-HZPDHXFCSA-N 2 1 292.492 3.455 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000430572005 393576316 /nfs/dbraw/zinc/57/63/16/393576316.db2.gz OXSNKRRQAXJWSL-GOSISDBHSA-N 2 1 299.418 3.337 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OC(F)F)cc1C ZINC000666855532 542820665 /nfs/dbraw/zinc/82/06/65/542820665.db2.gz YMHRJWLQHNTGGD-AWEZNQCLSA-N 2 1 298.377 3.137 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(Cl)c1Cl ZINC000666857597 542821610 /nfs/dbraw/zinc/82/16/10/542821610.db2.gz AGLDXSANWQTBSK-SNVBAGLBSA-N 2 1 291.197 3.364 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)s1 ZINC000360856014 393598674 /nfs/dbraw/zinc/59/86/74/393598674.db2.gz GATAZQMLWFTYGR-WDEREUQCSA-N 2 1 269.458 3.005 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCOc1cccc(Cl)c1 ZINC000430587321 393579216 /nfs/dbraw/zinc/57/92/16/393579216.db2.gz ZBGPMMNONCLQEK-OAHLLOKOSA-N 2 1 284.831 3.072 20 0 CGADMP C[C@@](C[NH3+])([NH2+]CCc1ccc2ccccc2c1)C1CC1 ZINC000430592851 393580455 /nfs/dbraw/zinc/58/04/55/393580455.db2.gz NOCKCMUIESGEDG-SFHVURJKSA-N 2 1 268.404 3.099 20 0 CGADMP CCC1(C)CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000432438865 393613378 /nfs/dbraw/zinc/61/33/78/393613378.db2.gz DBRQPGJVMZKZQE-WWDZGPRUSA-N 2 1 296.499 3.436 20 0 CGADMP CCC1(C)CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000432438865 393613383 /nfs/dbraw/zinc/61/33/83/393613383.db2.gz DBRQPGJVMZKZQE-WWDZGPRUSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423346015 393662213 /nfs/dbraw/zinc/66/22/13/393662213.db2.gz YGHUXOIZMRBINW-BMGDILEWSA-N 2 1 290.451 3.309 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CCC1 ZINC000423343217 393662434 /nfs/dbraw/zinc/66/24/34/393662434.db2.gz ZNXLIUBXEFGWQT-LBPRGKRZSA-N 2 1 282.840 3.348 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423478908 393670092 /nfs/dbraw/zinc/67/00/92/393670092.db2.gz UWDNXMFFAVSMKP-YGRLFVJLSA-N 2 1 252.789 3.044 20 0 CGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC000443615889 393767038 /nfs/dbraw/zinc/76/70/38/393767038.db2.gz KVWDLVBDWCPDJN-AWEZNQCLSA-N 2 1 292.389 3.383 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC000443615889 393767039 /nfs/dbraw/zinc/76/70/39/393767039.db2.gz KVWDLVBDWCPDJN-AWEZNQCLSA-N 2 1 292.389 3.383 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC000443615889 393767040 /nfs/dbraw/zinc/76/70/40/393767040.db2.gz KVWDLVBDWCPDJN-AWEZNQCLSA-N 2 1 292.389 3.383 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000443615889 393767041 /nfs/dbraw/zinc/76/70/41/393767041.db2.gz KVWDLVBDWCPDJN-AWEZNQCLSA-N 2 1 292.389 3.383 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499163031 393793784 /nfs/dbraw/zinc/79/37/84/393793784.db2.gz DJKRXGKDPZMMHR-LZBKUMLDSA-N 2 1 284.447 3.428 20 0 CGADMP C[NH+](C)C1(CNc2cc[nH+]c3ccc(Cl)cc23)CCC1 ZINC000445603567 393810477 /nfs/dbraw/zinc/81/04/77/393810477.db2.gz DUFVBTQDPFZXKB-UHFFFAOYSA-N 2 1 289.810 3.206 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC2(CCCC2)C1 ZINC000445873408 393833340 /nfs/dbraw/zinc/83/33/40/393833340.db2.gz FBCYBVZVKBBGMU-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000445873408 393833342 /nfs/dbraw/zinc/83/33/42/393833342.db2.gz FBCYBVZVKBBGMU-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC2(CCCC2)C1 ZINC000445873408 393833344 /nfs/dbraw/zinc/83/33/44/393833344.db2.gz FBCYBVZVKBBGMU-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP Cc1cccc(CC[N@@H+]2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000449018631 393874593 /nfs/dbraw/zinc/87/45/93/393874593.db2.gz OHUDIWPVLHDPSK-LJQANCHMSA-N 2 1 286.463 3.488 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000502890112 393886558 /nfs/dbraw/zinc/88/65/58/393886558.db2.gz IJLWIAZDWNKKPM-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000502890112 393886560 /nfs/dbraw/zinc/88/65/60/393886560.db2.gz IJLWIAZDWNKKPM-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000502890112 393886565 /nfs/dbraw/zinc/88/65/65/393886565.db2.gz IJLWIAZDWNKKPM-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449558699 393902588 /nfs/dbraw/zinc/90/25/88/393902588.db2.gz ZKMKUUXPEFJXGU-PUYZDKHRSA-N 2 1 270.420 3.305 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666996895 542833663 /nfs/dbraw/zinc/83/36/63/542833663.db2.gz KUGIKLWRBVFATC-GFCCVEGCSA-N 2 1 282.790 3.243 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H](C2CC2)C2CCC2)CCCC1 ZINC000453072592 394161353 /nfs/dbraw/zinc/16/13/53/394161353.db2.gz DRRMIATUDOLHSW-HNNXBMFYSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453089543 394167269 /nfs/dbraw/zinc/16/72/69/394167269.db2.gz KHUHBFUZOBZFAO-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP Cc1ncc(C[N@H+]([C@H](C)c2ccccc2)C2CC2)n1C ZINC000667497407 542877694 /nfs/dbraw/zinc/87/76/94/542877694.db2.gz AFXDFHPMQZKIMV-CYBMUJFWSA-N 2 1 269.392 3.454 20 0 CGADMP CC[C@]1(C)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667645549 542904382 /nfs/dbraw/zinc/90/43/82/542904382.db2.gz SLCKQLMCAWZDNF-QGZVFWFLSA-N 2 1 284.407 3.279 20 0 CGADMP CC[C@]1(C)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667645549 542904384 /nfs/dbraw/zinc/90/43/84/542904384.db2.gz SLCKQLMCAWZDNF-QGZVFWFLSA-N 2 1 284.407 3.279 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667652225 542906593 /nfs/dbraw/zinc/90/65/93/542906593.db2.gz WOJINFRTSPNKGE-HUUCEWRRSA-N 2 1 284.407 3.278 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667652225 542906596 /nfs/dbraw/zinc/90/65/96/542906596.db2.gz WOJINFRTSPNKGE-HUUCEWRRSA-N 2 1 284.407 3.278 20 0 CGADMP CCc1nc(C)c([C@@H](C)N(C)Cc2c[nH+]c(C)n2C)s1 ZINC000667665645 542910454 /nfs/dbraw/zinc/91/04/54/542910454.db2.gz QHBLPEVYWOGHSQ-LLVKDONJSA-N 2 1 292.452 3.249 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)[nH]c2c1 ZINC000667663745 542911375 /nfs/dbraw/zinc/91/13/75/542911375.db2.gz VMLDGISBVUNTGR-INIZCTEOSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)[nH]c2c1 ZINC000667663745 542911378 /nfs/dbraw/zinc/91/13/78/542911378.db2.gz VMLDGISBVUNTGR-INIZCTEOSA-N 2 1 297.446 3.394 20 0 CGADMP CCC[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000667673591 542914447 /nfs/dbraw/zinc/91/44/47/542914447.db2.gz GCQGMWBJDGIRNT-HNNXBMFYSA-N 2 1 284.407 3.279 20 0 CGADMP CCC[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667673591 542914449 /nfs/dbraw/zinc/91/44/49/542914449.db2.gz GCQGMWBJDGIRNT-HNNXBMFYSA-N 2 1 284.407 3.279 20 0 CGADMP CCC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667673591 542914453 /nfs/dbraw/zinc/91/44/53/542914453.db2.gz GCQGMWBJDGIRNT-HNNXBMFYSA-N 2 1 284.407 3.279 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681510 542915014 /nfs/dbraw/zinc/91/50/14/542915014.db2.gz LGOAQWVUOMCLCW-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681510 542915017 /nfs/dbraw/zinc/91/50/17/542915017.db2.gz LGOAQWVUOMCLCW-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681510 542915019 /nfs/dbraw/zinc/91/50/19/542915019.db2.gz LGOAQWVUOMCLCW-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681510 542915022 /nfs/dbraw/zinc/91/50/22/542915022.db2.gz LGOAQWVUOMCLCW-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681510 542915025 /nfs/dbraw/zinc/91/50/25/542915025.db2.gz LGOAQWVUOMCLCW-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668030419 542960477 /nfs/dbraw/zinc/96/04/77/542960477.db2.gz RNFICQHTHDNUSH-OAHLLOKOSA-N 2 1 284.407 3.135 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668030419 542960478 /nfs/dbraw/zinc/96/04/78/542960478.db2.gz RNFICQHTHDNUSH-OAHLLOKOSA-N 2 1 284.407 3.135 20 0 CGADMP c1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668178284 542982828 /nfs/dbraw/zinc/98/28/28/542982828.db2.gz RRUGWALCTHNQGJ-QGZVFWFLSA-N 2 1 294.402 3.032 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1C=CCCCCC1 ZINC000549672926 289049713 /nfs/dbraw/zinc/04/97/13/289049713.db2.gz ROAZASWNCJXHFV-MRXNPFEDSA-N 2 1 250.430 3.293 20 0 CGADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C1CC1 ZINC000668512442 543021872 /nfs/dbraw/zinc/02/18/72/543021872.db2.gz MTDHLCUTVPRWIV-LSDHHAIUSA-N 2 1 271.408 3.306 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670267824 543149218 /nfs/dbraw/zinc/14/92/18/543149218.db2.gz VETIARCUXBZUEC-OAHLLOKOSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000164832440 292081040 /nfs/dbraw/zinc/08/10/40/292081040.db2.gz IHIAKNURWLEZBI-NVXWUHKLSA-N 2 1 274.452 3.345 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000674049757 543265338 /nfs/dbraw/zinc/26/53/38/543265338.db2.gz ZBAZWFWZVJJFJF-MAUKXSAKSA-N 2 1 294.483 3.188 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000389121017 397691517 /nfs/dbraw/zinc/69/15/17/397691517.db2.gz YDLMWXINGKCZNX-VBQVBCPMSA-N 2 1 270.420 3.164 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000394657972 397695435 /nfs/dbraw/zinc/69/54/35/397695435.db2.gz MYZAOCVNQQSBLL-QWHCGFSZSA-N 2 1 262.388 3.117 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000395100139 397696403 /nfs/dbraw/zinc/69/64/03/397696403.db2.gz HKEGMONQTVRMIH-CVEARBPZSA-N 2 1 252.446 3.406 20 0 CGADMP CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491062807 397708713 /nfs/dbraw/zinc/70/87/13/397708713.db2.gz SUQVGNZGFLISEY-MRXNPFEDSA-N 2 1 252.446 3.375 20 0 CGADMP CC(C)(C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000650709117 397898492 /nfs/dbraw/zinc/89/84/92/397898492.db2.gz CNAWPMABWAYWMD-WMZOPIPTSA-N 2 1 272.436 3.025 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754510 397909077 /nfs/dbraw/zinc/90/90/77/397909077.db2.gz KRHVIQYUIZIYQQ-LBPRGKRZSA-N 2 1 287.382 3.093 20 0 CGADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)oc1C ZINC000650755314 397909465 /nfs/dbraw/zinc/90/94/65/397909465.db2.gz BSMQMMIFYGIVJL-NSHDSACASA-N 2 1 276.355 3.345 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675804592 543366467 /nfs/dbraw/zinc/36/64/67/543366467.db2.gz CIUZOVKHBLIVEL-DZGCQCFKSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCCC1 ZINC000675748561 543360623 /nfs/dbraw/zinc/36/06/23/543360623.db2.gz AAHWPTABWZBUBH-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881762 543369249 /nfs/dbraw/zinc/36/92/49/543369249.db2.gz MZVHHERBDXTLHY-ATLSCFEFSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881766 543369915 /nfs/dbraw/zinc/36/99/15/543369915.db2.gz MZVHHERBDXTLHY-INMHGKMJSA-N 2 1 294.483 3.044 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000677129334 543434282 /nfs/dbraw/zinc/43/42/82/543434282.db2.gz KJFUJTMLDGKDSO-MRXNPFEDSA-N 2 1 280.362 3.028 20 0 CGADMP CC1CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000677879690 543470389 /nfs/dbraw/zinc/47/03/89/543470389.db2.gz SZYRGYCMHLFSQR-HTWSVDAQSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678137713 543486697 /nfs/dbraw/zinc/48/66/97/543486697.db2.gz SVVNBKSKDAMJSM-HNNXBMFYSA-N 2 1 278.440 3.103 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C2CC2)C1 ZINC000678285580 543511818 /nfs/dbraw/zinc/51/18/18/543511818.db2.gz OJJDBBDCIIEAGH-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678285580 543511820 /nfs/dbraw/zinc/51/18/20/543511820.db2.gz OJJDBBDCIIEAGH-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678285580 543511822 /nfs/dbraw/zinc/51/18/22/543511822.db2.gz OJJDBBDCIIEAGH-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)n1 ZINC000678412211 543521606 /nfs/dbraw/zinc/52/16/06/543521606.db2.gz TUGLIJDDJFJAKS-OAHLLOKOSA-N 2 1 275.440 3.225 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC(C)(C)c2ccccc2)CC1 ZINC000678812236 543561150 /nfs/dbraw/zinc/56/11/50/543561150.db2.gz NTYROKFLBQOQJK-UHFFFAOYSA-N 2 1 274.452 3.380 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC(C)(C)c2ccccc2)CC1 ZINC000678812236 543561153 /nfs/dbraw/zinc/56/11/53/543561153.db2.gz NTYROKFLBQOQJK-UHFFFAOYSA-N 2 1 274.452 3.380 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+](CC)CC)C12CCCC2 ZINC000249988869 286401664 /nfs/dbraw/zinc/40/16/64/286401664.db2.gz TVAFQQNDDFLPKD-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062077903 286959860 /nfs/dbraw/zinc/95/98/60/286959860.db2.gz JLPZPZHVJOIILD-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CSCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000075677040 287027073 /nfs/dbraw/zinc/02/70/73/287027073.db2.gz IBWRBOOGWNMAOJ-MRXNPFEDSA-N 2 1 284.513 3.183 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183192342 287046975 /nfs/dbraw/zinc/04/69/75/287046975.db2.gz FNSYEBUIJBWHRT-GZBFAFLISA-N 2 1 250.430 3.028 20 0 CGADMP CCc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000088164212 287085879 /nfs/dbraw/zinc/08/58/79/287085879.db2.gz JTSBVNMXTDYPSV-AGUYFDCRSA-N 2 1 278.465 3.415 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(F)c1 ZINC000078687452 165137004 /nfs/dbraw/zinc/13/70/04/165137004.db2.gz FVPGQPKKEUORGH-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(F)c1 ZINC000078687452 165137005 /nfs/dbraw/zinc/13/70/05/165137005.db2.gz FVPGQPKKEUORGH-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(F)c1 ZINC000078687452 165137007 /nfs/dbraw/zinc/13/70/07/165137007.db2.gz FVPGQPKKEUORGH-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(F)c1 ZINC000078687452 165137009 /nfs/dbraw/zinc/13/70/09/165137009.db2.gz FVPGQPKKEUORGH-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP Cc1nc(C)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000080693770 165158784 /nfs/dbraw/zinc/15/87/84/165158784.db2.gz RJWUOLSANYBWLV-UHFFFAOYSA-N 2 1 281.469 3.112 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000084623498 165176982 /nfs/dbraw/zinc/17/69/82/165176982.db2.gz LOYDMCPJGYCMRY-UHFFFAOYSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@@H]1[NH3+] ZINC000094338908 165350857 /nfs/dbraw/zinc/35/08/57/165350857.db2.gz XNGHVLRPDLMGCD-FZMZJTMJSA-N 2 1 260.406 3.070 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000093741976 287118539 /nfs/dbraw/zinc/11/85/39/287118539.db2.gz PAXRSIVEYHCAHN-JKSUJKDBSA-N 2 1 250.430 3.006 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000093741976 287118540 /nfs/dbraw/zinc/11/85/40/287118540.db2.gz PAXRSIVEYHCAHN-JKSUJKDBSA-N 2 1 250.430 3.006 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000093741976 287118542 /nfs/dbraw/zinc/11/85/42/287118542.db2.gz PAXRSIVEYHCAHN-JKSUJKDBSA-N 2 1 250.430 3.006 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000093942654 287120615 /nfs/dbraw/zinc/12/06/15/287120615.db2.gz WCOIYCSQQWIHIA-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357066987 287141498 /nfs/dbraw/zinc/14/14/98/287141498.db2.gz DIOZHKZSUCSNAX-HNNXBMFYSA-N 2 1 298.430 3.341 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119675100 287172407 /nfs/dbraw/zinc/17/24/07/287172407.db2.gz KSTCECBSXDKHBC-IRXDYDNUSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000119993239 287176242 /nfs/dbraw/zinc/17/62/42/287176242.db2.gz AJBIGMXTGDUZMN-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000119993239 287176243 /nfs/dbraw/zinc/17/62/43/287176243.db2.gz AJBIGMXTGDUZMN-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC000120913387 287189752 /nfs/dbraw/zinc/18/97/52/287189752.db2.gz NHVBSUPUTNOZIL-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC=C(C)C)CC1 ZINC000122067368 287205969 /nfs/dbraw/zinc/20/59/69/287205969.db2.gz HWZOBBQJVKXXTC-UHFFFAOYSA-N 2 1 282.472 3.023 20 0 CGADMP C[NH+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423483 173199114 /nfs/dbraw/zinc/19/91/14/173199114.db2.gz LVJPBNQABMLZMZ-UHFFFAOYSA-N 2 1 261.196 3.035 20 0 CGADMP CSCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000285766719 196391713 /nfs/dbraw/zinc/39/17/13/196391713.db2.gz SZVKQKVSNHQITM-DLBZAZTESA-N 2 1 290.476 3.266 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc2c(c1)CCO2 ZINC000038098200 174113529 /nfs/dbraw/zinc/11/35/29/174113529.db2.gz KTPWOKCBZYYHGZ-KRWDZBQOSA-N 2 1 288.435 3.147 20 0 CGADMP Cc1cc[nH+]c(NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000043561414 175066299 /nfs/dbraw/zinc/06/62/99/175066299.db2.gz VTOYRORWSMKAMB-UHFFFAOYSA-N 2 1 269.392 3.324 20 0 CGADMP CCC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000127992790 287300728 /nfs/dbraw/zinc/30/07/28/287300728.db2.gz NJJKBNRWZKDJIR-SJJHQCBESA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071141912 176040026 /nfs/dbraw/zinc/04/00/26/176040026.db2.gz CYNLIKOOZBVVOI-DOMZBBRYSA-N 2 1 266.816 3.332 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071141912 176040027 /nfs/dbraw/zinc/04/00/27/176040027.db2.gz CYNLIKOOZBVVOI-DOMZBBRYSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000050953829 416477513 /nfs/dbraw/zinc/47/75/13/416477513.db2.gz VVUDXEGYAHMBKJ-CYBMUJFWSA-N 2 1 278.465 3.447 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000050954083 416479042 /nfs/dbraw/zinc/47/90/42/416479042.db2.gz LYPXZXRRDZQRNL-QGZVFWFLSA-N 2 1 264.457 3.421 20 0 CGADMP CC1CCC([N@@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000050953288 416479248 /nfs/dbraw/zinc/47/92/48/416479248.db2.gz RNPHNFQCPNTRKV-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000311145327 416532082 /nfs/dbraw/zinc/53/20/82/416532082.db2.gz URNFPDVWKMWBAN-XJKSGUPXSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)[C@@H]1CC[NH3+] ZINC000404445189 416555308 /nfs/dbraw/zinc/55/53/08/416555308.db2.gz WYERGOMJTXWUJF-RHSMWYFYSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)[C@@H]1CC[NH3+] ZINC000404445189 416555309 /nfs/dbraw/zinc/55/53/09/416555309.db2.gz WYERGOMJTXWUJF-RHSMWYFYSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000420901969 416562759 /nfs/dbraw/zinc/56/27/59/416562759.db2.gz LTDSHJZOFZEBOW-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@@H]1[NH3+] ZINC000122278605 416504774 /nfs/dbraw/zinc/50/47/74/416504774.db2.gz DNFFFDHTWQVQQH-DOMZBBRYSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(O)cc1 ZINC000679392633 543633785 /nfs/dbraw/zinc/63/37/85/543633785.db2.gz CNXCWYXZWQZUOO-HNNXBMFYSA-N 2 1 276.424 3.136 20 0 CGADMP c1cn([C@@H]2CCC[N@H+](CCCOCc3ccccc3)C2)cn1 ZINC000680372355 543705374 /nfs/dbraw/zinc/70/53/74/543705374.db2.gz FKKJDOAVGISBMJ-GOSISDBHSA-N 2 1 299.418 3.127 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000681755448 543806851 /nfs/dbraw/zinc/80/68/51/543806851.db2.gz VDUKZQYEZIZZOH-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000683225095 543905528 /nfs/dbraw/zinc/90/55/28/543905528.db2.gz WJYDOTJAZHNUNO-OAHLLOKOSA-N 2 1 286.423 3.314 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000683225095 543905529 /nfs/dbraw/zinc/90/55/29/543905529.db2.gz WJYDOTJAZHNUNO-OAHLLOKOSA-N 2 1 286.423 3.314 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683831386 543946768 /nfs/dbraw/zinc/94/67/68/543946768.db2.gz VFKGADDKHCOYMI-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000684379014 543989288 /nfs/dbraw/zinc/98/92/88/543989288.db2.gz UFWCARRGEQMRGR-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000684379014 543989290 /nfs/dbraw/zinc/98/92/90/543989290.db2.gz UFWCARRGEQMRGR-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000685455221 544073373 /nfs/dbraw/zinc/07/33/73/544073373.db2.gz LQUIIGFCFIUCBS-AEFFLSMTSA-N 2 1 274.452 3.185 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccccc2F)C1 ZINC000685455185 544073756 /nfs/dbraw/zinc/07/37/56/544073756.db2.gz CQRVSIDFWPSTBX-CVEARBPZSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)F)cc1 ZINC000685470073 544077176 /nfs/dbraw/zinc/07/71/76/544077176.db2.gz OWJXFOUXACAFFC-IUODEOHRSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)F)cc1 ZINC000685470073 544077178 /nfs/dbraw/zinc/07/71/78/544077178.db2.gz OWJXFOUXACAFFC-IUODEOHRSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000685470073 544077179 /nfs/dbraw/zinc/07/71/79/544077179.db2.gz OWJXFOUXACAFFC-IUODEOHRSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000685470073 544077181 /nfs/dbraw/zinc/07/71/81/544077181.db2.gz OWJXFOUXACAFFC-IUODEOHRSA-N 2 1 282.378 3.396 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684955683 544044608 /nfs/dbraw/zinc/04/46/08/544044608.db2.gz SMWWUARLMASVDY-WBVHZDCISA-N 2 1 287.451 3.169 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684955683 544044609 /nfs/dbraw/zinc/04/46/09/544044609.db2.gz SMWWUARLMASVDY-WBVHZDCISA-N 2 1 287.451 3.169 20 0 CGADMP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)CC1CCCCCC1)C1CC1 ZINC000685574782 544085355 /nfs/dbraw/zinc/08/53/55/544085355.db2.gz LROQCROYFIJRDZ-QGZVFWFLSA-N 2 1 296.499 3.170 20 0 CGADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)CC1CCCCCC1)C1CC1 ZINC000685574782 544085357 /nfs/dbraw/zinc/08/53/57/544085357.db2.gz LROQCROYFIJRDZ-QGZVFWFLSA-N 2 1 296.499 3.170 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000652240488 418940631 /nfs/dbraw/zinc/94/06/31/418940631.db2.gz CXYKFCJRXCTLGN-NTZUZEMLSA-N 2 1 284.447 3.313 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659974157 419049731 /nfs/dbraw/zinc/04/97/31/419049731.db2.gz LISZMGSNHBKPQF-XDNAFOTISA-N 2 1 276.468 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659974157 419049737 /nfs/dbraw/zinc/04/97/37/419049737.db2.gz LISZMGSNHBKPQF-XDNAFOTISA-N 2 1 276.468 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659974157 419049740 /nfs/dbraw/zinc/04/97/40/419049740.db2.gz LISZMGSNHBKPQF-XDNAFOTISA-N 2 1 276.468 3.086 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000653279983 419023321 /nfs/dbraw/zinc/02/33/21/419023321.db2.gz RHRUVMUOXYTOLY-GUYCJALGSA-N 2 1 299.393 3.199 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000653279983 419023324 /nfs/dbraw/zinc/02/33/24/419023324.db2.gz RHRUVMUOXYTOLY-GUYCJALGSA-N 2 1 299.393 3.199 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000653279984 419023350 /nfs/dbraw/zinc/02/33/50/419023350.db2.gz RHRUVMUOXYTOLY-SUMWQHHRSA-N 2 1 299.393 3.199 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000653279984 419023353 /nfs/dbraw/zinc/02/33/53/419023353.db2.gz RHRUVMUOXYTOLY-SUMWQHHRSA-N 2 1 299.393 3.199 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974945 419050359 /nfs/dbraw/zinc/05/03/59/419050359.db2.gz RVKOVFNEEDXFHH-INIZCTEOSA-N 2 1 250.430 3.006 20 0 CGADMP CC(C)=CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000659974945 419050362 /nfs/dbraw/zinc/05/03/62/419050362.db2.gz RVKOVFNEEDXFHH-INIZCTEOSA-N 2 1 250.430 3.006 20 0 CGADMP CC(C)=CCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000659974945 419050364 /nfs/dbraw/zinc/05/03/64/419050364.db2.gz RVKOVFNEEDXFHH-INIZCTEOSA-N 2 1 250.430 3.006 20 0 CGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000665252152 419093989 /nfs/dbraw/zinc/09/39/89/419093989.db2.gz IPBXUQPLYFCFAU-WJFTUGDTSA-N 2 1 284.447 3.300 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000665298715 419111418 /nfs/dbraw/zinc/11/14/18/419111418.db2.gz ZZLVKDKODVHYDH-VXGBXAGGSA-N 2 1 288.357 3.224 20 0 CGADMP C1=C(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000655679848 419063960 /nfs/dbraw/zinc/06/39/60/419063960.db2.gz GFXINNHNXPUVMI-GOSISDBHSA-N 2 1 292.467 3.110 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694247 419067079 /nfs/dbraw/zinc/06/70/79/419067079.db2.gz FCZPFBFYLHIKEX-RDJZCZTQSA-N 2 1 272.436 3.222 20 0 CGADMP C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1CCC(C)(C)C1CC1 ZINC000653674426 419069342 /nfs/dbraw/zinc/06/93/42/419069342.db2.gz DBDYBRXNNPVZSF-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CCC2)[C@H](C)C1 ZINC000660083613 419073268 /nfs/dbraw/zinc/07/32/68/419073268.db2.gz VEMJKOKWKDUQQP-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2CCC2)[C@H](C)C1 ZINC000660083613 419073273 /nfs/dbraw/zinc/07/32/73/419073273.db2.gz VEMJKOKWKDUQQP-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2CCC2)[C@H](C)C1 ZINC000660083613 419073278 /nfs/dbraw/zinc/07/32/78/419073278.db2.gz VEMJKOKWKDUQQP-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP c1ccc([C@H]2C[C@H]2[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000660115206 419080501 /nfs/dbraw/zinc/08/05/01/419080501.db2.gz MONXMLLDBXWYIH-RSPOEFSDSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000660115206 419080504 /nfs/dbraw/zinc/08/05/04/419080504.db2.gz MONXMLLDBXWYIH-RSPOEFSDSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660115206 419080507 /nfs/dbraw/zinc/08/05/07/419080507.db2.gz MONXMLLDBXWYIH-RSPOEFSDSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660115206 419080512 /nfs/dbraw/zinc/08/05/12/419080512.db2.gz MONXMLLDBXWYIH-RSPOEFSDSA-N 2 1 296.458 3.491 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941347 419129833 /nfs/dbraw/zinc/12/98/33/419129833.db2.gz RBOPIOJMMXWADS-CABCVRRESA-N 2 1 292.854 3.470 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000660415644 419139723 /nfs/dbraw/zinc/13/97/23/419139723.db2.gz GUVNIZWTWBDOBS-QWHCGFSZSA-N 2 1 262.388 3.084 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCC2CCC2)CC1 ZINC000660432531 419143463 /nfs/dbraw/zinc/14/34/63/419143463.db2.gz ZLRABNHUZZWTPU-UHFFFAOYSA-N 2 1 274.408 3.423 20 0 CGADMP Cn1cncc1CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000656399139 419168626 /nfs/dbraw/zinc/16/86/26/419168626.db2.gz AHCVKJXSHAOZGQ-UHFFFAOYSA-N 2 1 297.324 3.113 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000660638772 419172078 /nfs/dbraw/zinc/17/20/78/419172078.db2.gz CXQVSAUNLBQYAB-DZGCQCFKSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000660638772 419172081 /nfs/dbraw/zinc/17/20/81/419172081.db2.gz CXQVSAUNLBQYAB-DZGCQCFKSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000660638772 419172083 /nfs/dbraw/zinc/17/20/83/419172083.db2.gz CXQVSAUNLBQYAB-DZGCQCFKSA-N 2 1 274.399 3.086 20 0 CGADMP CSc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000660642530 419174128 /nfs/dbraw/zinc/17/41/28/419174128.db2.gz SJNIPLGWKCYDBS-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000660642530 419174131 /nfs/dbraw/zinc/17/41/31/419174131.db2.gz SJNIPLGWKCYDBS-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000660642530 419174133 /nfs/dbraw/zinc/17/41/33/419174133.db2.gz SJNIPLGWKCYDBS-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000660642530 419174135 /nfs/dbraw/zinc/17/41/35/419174135.db2.gz SJNIPLGWKCYDBS-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCCC(F)(F)F)C2 ZINC000660659038 419176144 /nfs/dbraw/zinc/17/61/44/419176144.db2.gz JOKXBRDTJZQLQJ-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCC(F)(F)F)C2 ZINC000660659038 419176147 /nfs/dbraw/zinc/17/61/47/419176147.db2.gz JOKXBRDTJZQLQJ-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCC(F)(F)F)C2 ZINC000660659038 419176149 /nfs/dbraw/zinc/17/61/49/419176149.db2.gz JOKXBRDTJZQLQJ-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCC(F)(F)F)C2 ZINC000660659038 419176152 /nfs/dbraw/zinc/17/61/52/419176152.db2.gz JOKXBRDTJZQLQJ-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP COc1cccc([C@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660658140 419176697 /nfs/dbraw/zinc/17/66/97/419176697.db2.gz CQTNMJLTQFMIPP-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660658140 419176700 /nfs/dbraw/zinc/17/67/00/419176700.db2.gz CQTNMJLTQFMIPP-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660658140 419176702 /nfs/dbraw/zinc/17/67/02/419176702.db2.gz CQTNMJLTQFMIPP-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660658140 419176704 /nfs/dbraw/zinc/17/67/04/419176704.db2.gz CQTNMJLTQFMIPP-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP CC(C)OCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679091 419181926 /nfs/dbraw/zinc/18/19/26/419181926.db2.gz MHLHUYIFXVHWLT-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666079600 419187267 /nfs/dbraw/zinc/18/72/67/419187267.db2.gz ATHVKJUSTHUSMI-HNNXBMFYSA-N 2 1 292.854 3.271 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000657331183 419251564 /nfs/dbraw/zinc/25/15/64/419251564.db2.gz RGABLRHKAQCZKN-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)oc21 ZINC000657355492 419258263 /nfs/dbraw/zinc/25/82/63/419258263.db2.gz QDUOTDACWRCQIW-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)oc21 ZINC000657355492 419258265 /nfs/dbraw/zinc/25/82/65/419258265.db2.gz QDUOTDACWRCQIW-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656785981 419220115 /nfs/dbraw/zinc/22/01/15/419220115.db2.gz OTAKFYASPFSQFX-QGZVFWFLSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1cc(Br)ccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788594 419220532 /nfs/dbraw/zinc/22/05/32/419220532.db2.gz UXMDTNKZWHIFIX-UHFFFAOYSA-N 2 1 297.240 3.119 20 0 CGADMP C[C@]1(C[N@@H+](Cc2ccccc2F)CC2CC2)CC[NH2+]C1 ZINC000656790783 419221333 /nfs/dbraw/zinc/22/13/33/419221333.db2.gz AEZSOMPHPLFSNI-KRWDZBQOSA-N 2 1 276.399 3.037 20 0 CGADMP C[C@]1(C[N@H+](Cc2ccccc2F)CC2CC2)CC[NH2+]C1 ZINC000656790783 419221336 /nfs/dbraw/zinc/22/13/36/419221336.db2.gz AEZSOMPHPLFSNI-KRWDZBQOSA-N 2 1 276.399 3.037 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cnc(-c3cccs3)s2)CCCC1 ZINC000656788795 419221451 /nfs/dbraw/zinc/22/14/51/419221451.db2.gz ZJMPOELILWCCID-UHFFFAOYSA-N 2 1 293.461 3.233 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000657182735 419229470 /nfs/dbraw/zinc/22/94/70/419229470.db2.gz NATQZCVCNKURFX-KBPBESRZSA-N 2 1 266.454 3.001 20 0 CGADMP COCc1csc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000657433634 419277966 /nfs/dbraw/zinc/27/79/66/419277966.db2.gz XGNFUXFOJNREHF-AWEZNQCLSA-N 2 1 296.480 3.249 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657548079 419302074 /nfs/dbraw/zinc/30/20/74/419302074.db2.gz RDDDWDXYJOLVOG-FGTMMUONSA-N 2 1 290.426 3.363 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000657626332 419315537 /nfs/dbraw/zinc/31/55/37/419315537.db2.gz JMGOTMBFUWFCOZ-QZTJIDSGSA-N 2 1 272.436 3.062 20 0 CGADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000657678318 419326963 /nfs/dbraw/zinc/32/69/63/419326963.db2.gz PJSGYTAJAVKVOA-HOTGVXAUSA-N 2 1 292.467 3.085 20 0 CGADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000657678318 419326966 /nfs/dbraw/zinc/32/69/66/419326966.db2.gz PJSGYTAJAVKVOA-HOTGVXAUSA-N 2 1 292.467 3.085 20 0 CGADMP CCOC1CCC([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000657852823 419388247 /nfs/dbraw/zinc/38/82/47/419388247.db2.gz GUHXKTMPGSRJGS-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP CCOC1CCC([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000657852823 419388251 /nfs/dbraw/zinc/38/82/51/419388251.db2.gz GUHXKTMPGSRJGS-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP COc1ccc(CC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662315771 419390634 /nfs/dbraw/zinc/39/06/34/419390634.db2.gz SSXSFJYPTVWFDK-CRAIPNDOSA-N 2 1 290.451 3.077 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@]1(c2ccccc2)CC1(C)C ZINC000662341484 419394984 /nfs/dbraw/zinc/39/49/84/419394984.db2.gz TYDIDNMOHBLWFS-KRWDZBQOSA-N 2 1 269.392 3.107 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657871660 419397195 /nfs/dbraw/zinc/39/71/95/419397195.db2.gz WDVAEKNAXHMCHB-WDEREUQCSA-N 2 1 273.371 3.097 20 0 CGADMP C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000662243176 419368499 /nfs/dbraw/zinc/36/84/99/419368499.db2.gz GJYZJWJIAWDZRN-BXUZGUMPSA-N 2 1 284.856 3.101 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662242515 419368671 /nfs/dbraw/zinc/36/86/71/419368671.db2.gz AMQJNEAXGOQMKL-BURFUSLBSA-N 2 1 272.436 3.239 20 0 CGADMP CCOC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000657823022 419372422 /nfs/dbraw/zinc/37/24/22/419372422.db2.gz GZAIEJOOIPMHCR-KLAILNCOSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)(C)c1cccc(C[NH2+][C@](C)(C[NH3+])C2CC2)c1 ZINC000662247389 419373915 /nfs/dbraw/zinc/37/39/15/419373915.db2.gz GDHWBRHYNMDLJA-QGZVFWFLSA-N 2 1 260.425 3.201 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCSc1cccc(Cl)c1 ZINC000662266368 419376802 /nfs/dbraw/zinc/37/68/02/419376802.db2.gz WUGFHYFHYCYQJY-RYUDHWBXSA-N 2 1 284.856 3.101 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CCCCC1 ZINC000662265534 419377518 /nfs/dbraw/zinc/37/75/18/419377518.db2.gz QRSDKRSQIAOTNP-FGTMMUONSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657833120 419379728 /nfs/dbraw/zinc/37/97/28/419379728.db2.gz DVQNXYAPTUBPGR-RYUDHWBXSA-N 2 1 295.377 3.154 20 0 CGADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662294874 419386377 /nfs/dbraw/zinc/38/63/77/419386377.db2.gz FWLNIPLSCCCAKK-HZPDHXFCSA-N 2 1 258.409 3.050 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc2ccncc2s1 ZINC000657945848 419459701 /nfs/dbraw/zinc/45/97/01/419459701.db2.gz MUGHICZKGKKNCY-AAEUAGOBSA-N 2 1 298.415 3.158 20 0 CGADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663346497 419565755 /nfs/dbraw/zinc/56/57/55/419565755.db2.gz SBANUJLNCAHZHC-QGZVFWFLSA-N 2 1 294.483 3.047 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000658034465 419512117 /nfs/dbraw/zinc/51/21/17/419512117.db2.gz GAYUEYUNAKFPAI-FZKCQIBNSA-N 2 1 264.457 3.133 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468215 419620531 /nfs/dbraw/zinc/62/05/31/419620531.db2.gz KJRCGFOUNOLVME-ZACQAIPSSA-N 2 1 264.457 3.277 20 0 CGADMP C[NH+](C)CC1(CNc2[nH+]ccc3c(N)cccc32)CCCC1 ZINC000663801565 419722375 /nfs/dbraw/zinc/72/23/75/419722375.db2.gz QSIBSHUOQJMOIS-UHFFFAOYSA-N 2 1 298.434 3.351 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534738 270035855 /nfs/dbraw/zinc/03/58/55/270035855.db2.gz RPTCTXBJJKLELU-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044534276 270036340 /nfs/dbraw/zinc/03/63/40/270036340.db2.gz UJKJGYTWEHJTNU-OCCSQVGLSA-N 2 1 266.454 3.357 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000044534636 270036422 /nfs/dbraw/zinc/03/64/22/270036422.db2.gz ADBPFJUGUNAKMW-CHWSQXEVSA-N 2 1 298.377 3.280 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)F ZINC000044534636 270036423 /nfs/dbraw/zinc/03/64/23/270036423.db2.gz ADBPFJUGUNAKMW-CHWSQXEVSA-N 2 1 298.377 3.280 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533571 270036703 /nfs/dbraw/zinc/03/67/03/270036703.db2.gz OHWZKBFQXLYOPT-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000223025184 270086042 /nfs/dbraw/zinc/08/60/42/270086042.db2.gz YMCGLDKEWVUZDK-KRWDZBQOSA-N 2 1 260.425 3.458 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000224416683 270086599 /nfs/dbraw/zinc/08/65/99/270086599.db2.gz JNHRVAIIQVBPHB-INIZCTEOSA-N 2 1 280.843 3.129 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000224416683 270086600 /nfs/dbraw/zinc/08/66/00/270086600.db2.gz JNHRVAIIQVBPHB-INIZCTEOSA-N 2 1 280.843 3.129 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000224414713 270086665 /nfs/dbraw/zinc/08/66/65/270086665.db2.gz CKYJSIUPARIWAY-CQSZACIVSA-N 2 1 266.404 3.078 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000224414713 270086666 /nfs/dbraw/zinc/08/66/66/270086666.db2.gz CKYJSIUPARIWAY-CQSZACIVSA-N 2 1 266.404 3.078 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CCCC1 ZINC000227873113 270087466 /nfs/dbraw/zinc/08/74/66/270087466.db2.gz WFAHUBCQXYPWBE-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CCCC1 ZINC000227873113 270087467 /nfs/dbraw/zinc/08/74/67/270087467.db2.gz WFAHUBCQXYPWBE-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000322443780 270093690 /nfs/dbraw/zinc/09/36/90/270093690.db2.gz GFOUCBGRJJMQEE-INIZCTEOSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2(F)CC2)C1 ZINC000525977515 270121432 /nfs/dbraw/zinc/12/14/32/270121432.db2.gz PFQROWIMLGVNBB-CABCVRRESA-N 2 1 268.420 3.075 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000530460293 270200079 /nfs/dbraw/zinc/20/00/79/270200079.db2.gz IHZBLNIHQXEESZ-UHFFFAOYSA-N 2 1 297.446 3.453 20 0 CGADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517587 270200648 /nfs/dbraw/zinc/20/06/48/270200648.db2.gz DEGXIAXWMAGFKY-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517587 270200649 /nfs/dbraw/zinc/20/06/49/270200649.db2.gz DEGXIAXWMAGFKY-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517587 270200650 /nfs/dbraw/zinc/20/06/50/270200650.db2.gz DEGXIAXWMAGFKY-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000531681390 270208572 /nfs/dbraw/zinc/20/85/72/270208572.db2.gz JSKGBKHJWOUEAE-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000531950678 270211373 /nfs/dbraw/zinc/21/13/73/270211373.db2.gz UQKATJOYLCXHJN-DFGXFYAUSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000531950678 270211374 /nfs/dbraw/zinc/21/13/74/270211374.db2.gz UQKATJOYLCXHJN-DFGXFYAUSA-N 2 1 296.499 3.148 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309948 270223115 /nfs/dbraw/zinc/22/31/15/270223115.db2.gz LAYIEXDTEFEXGE-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309948 270223116 /nfs/dbraw/zinc/22/31/16/270223116.db2.gz LAYIEXDTEFEXGE-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309948 270223117 /nfs/dbraw/zinc/22/31/17/270223117.db2.gz LAYIEXDTEFEXGE-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268974973 274178068 /nfs/dbraw/zinc/17/80/68/274178068.db2.gz BHYHWZDEPMLBND-ZOBUZTSGSA-N 2 1 292.492 3.238 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268974973 274178070 /nfs/dbraw/zinc/17/80/70/274178070.db2.gz BHYHWZDEPMLBND-ZOBUZTSGSA-N 2 1 292.492 3.238 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2ccccc21 ZINC000049553259 274209154 /nfs/dbraw/zinc/20/91/54/274209154.db2.gz XOVDICDYVLBIFZ-JSGCOSHPSA-N 2 1 264.438 3.153 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000127296383 274239488 /nfs/dbraw/zinc/23/94/88/274239488.db2.gz YYDLCBNAGBBINB-GHMZBOCLSA-N 2 1 275.783 3.062 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1[NH3+] ZINC000336537719 274353476 /nfs/dbraw/zinc/35/34/76/274353476.db2.gz AHHBLZIJZGYREH-IAQYHMDHSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1[NH3+] ZINC000336537719 274353479 /nfs/dbraw/zinc/35/34/79/274353479.db2.gz AHHBLZIJZGYREH-IAQYHMDHSA-N 2 1 289.810 3.057 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000298111455 275068871 /nfs/dbraw/zinc/06/88/71/275068871.db2.gz OHHNDLTVHDCNFO-JCNLHEQBSA-N 2 1 270.420 3.149 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCOC1 ZINC000437606883 275391526 /nfs/dbraw/zinc/39/15/26/275391526.db2.gz VREFKVZKSZFIMV-ROUUACIJSA-N 2 1 294.483 3.001 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414835760 275595991 /nfs/dbraw/zinc/59/59/91/275595991.db2.gz HSXPGBKMKKCRSH-PQEBFOHHSA-N 2 1 260.425 3.142 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1cccnc1 ZINC000247101062 276018505 /nfs/dbraw/zinc/01/85/05/276018505.db2.gz OPWRVEJIMGYUEU-UOVPBQLFSA-N 2 1 289.467 3.140 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCCC1 ZINC000313402838 276025567 /nfs/dbraw/zinc/02/55/67/276025567.db2.gz WOURSTKKZLHZRX-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](C(C)C)C2)C1 ZINC000489250994 276027843 /nfs/dbraw/zinc/02/78/43/276027843.db2.gz CZOHTYIWCJOXEX-IRXDYDNUSA-N 2 1 266.473 3.332 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459342417 276072600 /nfs/dbraw/zinc/07/26/00/276072600.db2.gz LCTIQJFMZKNUCG-AWEZNQCLSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459342417 276072602 /nfs/dbraw/zinc/07/26/02/276072602.db2.gz LCTIQJFMZKNUCG-AWEZNQCLSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459342417 276072603 /nfs/dbraw/zinc/07/26/03/276072603.db2.gz LCTIQJFMZKNUCG-AWEZNQCLSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000514081487 276096291 /nfs/dbraw/zinc/09/62/91/276096291.db2.gz BPMULURURKYEFF-GOSISDBHSA-N 2 1 289.467 3.295 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000514081487 276096293 /nfs/dbraw/zinc/09/62/93/276096293.db2.gz BPMULURURKYEFF-GOSISDBHSA-N 2 1 289.467 3.295 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450449603 276106316 /nfs/dbraw/zinc/10/63/16/276106316.db2.gz FPBZOKNYBDPWLH-LSDHHAIUSA-N 2 1 288.426 3.476 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348237908 276118058 /nfs/dbraw/zinc/11/80/58/276118058.db2.gz DKOBJUDUURBTOO-DJIMGWMZSA-N 2 1 260.425 3.110 20 0 CGADMP CCC(CC)C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000414874037 276210195 /nfs/dbraw/zinc/21/01/95/276210195.db2.gz APXUOMYDVUMRQE-MSOLQXFVSA-N 2 1 290.451 3.167 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@H](C)C1 ZINC000453399635 276228230 /nfs/dbraw/zinc/22/82/30/276228230.db2.gz ARVDCZMGQRFYST-ZBFHGGJFSA-N 2 1 264.457 3.443 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000438209802 276349146 /nfs/dbraw/zinc/34/91/46/276349146.db2.gz DZVVSPHWIWUPPU-OLZOCXBDSA-N 2 1 280.378 3.427 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000438209802 276349149 /nfs/dbraw/zinc/34/91/49/276349149.db2.gz DZVVSPHWIWUPPU-OLZOCXBDSA-N 2 1 280.378 3.427 20 0 CGADMP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000157598650 276358046 /nfs/dbraw/zinc/35/80/46/276358046.db2.gz MHAMEZADVAJWRI-HYVNUMGLSA-N 2 1 282.472 3.044 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000159310143 276360020 /nfs/dbraw/zinc/36/00/20/276360020.db2.gz AYDZZEACHUWSCR-ZDUSSCGKSA-N 2 1 293.430 3.027 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081636890 276360307 /nfs/dbraw/zinc/36/03/07/276360307.db2.gz JERJLCVBIYKDHI-ZBFHGGJFSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344290812 277023353 /nfs/dbraw/zinc/02/33/53/277023353.db2.gz MOPSYNLTBVBWIH-QGZVFWFLSA-N 2 1 274.383 3.055 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCCC1(F)F)CC2 ZINC000336198898 277042186 /nfs/dbraw/zinc/04/21/86/277042186.db2.gz VZCQVKXATQFSIN-CQSZACIVSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCCC1(F)F)CC2 ZINC000336198898 277042188 /nfs/dbraw/zinc/04/21/88/277042188.db2.gz VZCQVKXATQFSIN-CQSZACIVSA-N 2 1 286.410 3.372 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCC(F)(F)CC1 ZINC000423506721 277631750 /nfs/dbraw/zinc/63/17/50/277631750.db2.gz PGYPWOWTMUQPFP-BXUZGUMPSA-N 2 1 274.399 3.308 20 0 CGADMP CC(C)[NH2+]C1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000291162324 277662829 /nfs/dbraw/zinc/66/28/29/277662829.db2.gz MFRIBDMTNCAQII-IRXDYDNUSA-N 2 1 258.409 3.005 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000516758255 278026179 /nfs/dbraw/zinc/02/61/79/278026179.db2.gz WRHRGPYAHRBTMC-VBQJREDUSA-N 2 1 288.435 3.145 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000516758255 278026183 /nfs/dbraw/zinc/02/61/83/278026183.db2.gz WRHRGPYAHRBTMC-VBQJREDUSA-N 2 1 288.435 3.145 20 0 CGADMP CC/C=C\CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342198985 278165647 /nfs/dbraw/zinc/16/56/47/278165647.db2.gz IIZNBMNWPCKHCD-YKZUCCNHSA-N 2 1 294.483 3.164 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187570083 278188554 /nfs/dbraw/zinc/18/85/54/278188554.db2.gz URNXTLOTUAFGTE-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000397399682 288023361 /nfs/dbraw/zinc/02/33/61/288023361.db2.gz MKSDGFKFZVHBOF-BZPMIXESSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000397399682 288023363 /nfs/dbraw/zinc/02/33/63/288023363.db2.gz MKSDGFKFZVHBOF-BZPMIXESSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H](CC1CCCCC1)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194535136 278225100 /nfs/dbraw/zinc/22/51/00/278225100.db2.gz XVOHAMRGHUUIIG-BHYGNILZSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H](CC1CCCCC1)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194535136 278225102 /nfs/dbraw/zinc/22/51/02/278225102.db2.gz XVOHAMRGHUUIIG-BHYGNILZSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H](CC1CCCCC1)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194535136 278225103 /nfs/dbraw/zinc/22/51/03/278225103.db2.gz XVOHAMRGHUUIIG-BHYGNILZSA-N 2 1 264.457 3.086 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c2ccccc2n1 ZINC000397432810 288023904 /nfs/dbraw/zinc/02/39/04/288023904.db2.gz FOQGWAKFFUDORN-UNEWFSDZSA-N 2 1 297.446 3.348 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000269008375 278229207 /nfs/dbraw/zinc/22/92/07/278229207.db2.gz MXVKRYOIXUYQEZ-GOEBONIOSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000397424626 288023964 /nfs/dbraw/zinc/02/39/64/288023964.db2.gz XBCVCYFDWCYFMI-AIANPOQGSA-N 2 1 260.425 3.095 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000157900693 278257270 /nfs/dbraw/zinc/25/72/70/278257270.db2.gz HQNRVYAAUSPONN-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)C[NH+](C)C ZINC000425936133 278284578 /nfs/dbraw/zinc/28/45/78/278284578.db2.gz HFKXFASLDJHBAB-GXTWGEPZSA-N 2 1 264.413 3.080 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000037267052 278335093 /nfs/dbraw/zinc/33/50/93/278335093.db2.gz XVKUBTQBOUYVOK-LLVKDONJSA-N 2 1 286.341 3.450 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000432430017 288040282 /nfs/dbraw/zinc/04/02/82/288040282.db2.gz RLYAXEZELDQAJD-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000432430017 288040283 /nfs/dbraw/zinc/04/02/83/288040283.db2.gz RLYAXEZELDQAJD-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000423347140 279001908 /nfs/dbraw/zinc/00/19/08/279001908.db2.gz QSYRGKQOHUKLOM-SJORKVTESA-N 2 1 275.440 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000300414075 288105767 /nfs/dbraw/zinc/10/57/67/288105767.db2.gz JBKIKWKNJFFAPS-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424373409 279380793 /nfs/dbraw/zinc/38/07/93/279380793.db2.gz GTSBEVRMYPAFFM-IAGOWNOFSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352049975 279389779 /nfs/dbraw/zinc/38/97/79/279389779.db2.gz OZWCHHRANVZMPS-XHSDSOJGSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H](F)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352049975 279389782 /nfs/dbraw/zinc/38/97/82/279389782.db2.gz OZWCHHRANVZMPS-XHSDSOJGSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H](F)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000352049975 279389785 /nfs/dbraw/zinc/38/97/85/279389785.db2.gz OZWCHHRANVZMPS-XHSDSOJGSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)c1ccccc1 ZINC000278863360 279478304 /nfs/dbraw/zinc/47/83/04/279478304.db2.gz BCJLPAQOOCCEBV-HOTGVXAUSA-N 2 1 297.446 3.401 20 0 CGADMP [NH3+]C[C@@H]1CCCCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000044559485 279635387 /nfs/dbraw/zinc/63/53/87/279635387.db2.gz CKKGUIWTSOVCDL-LBPRGKRZSA-N 2 1 275.783 3.206 20 0 CGADMP C[C@H](C[NH2+]CC[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000526119217 288150250 /nfs/dbraw/zinc/15/02/50/288150250.db2.gz WNSOZNWMXYDYOC-CQSZACIVSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@H](C[NH2+]CC[N@@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000526119217 288150252 /nfs/dbraw/zinc/15/02/52/288150252.db2.gz WNSOZNWMXYDYOC-CQSZACIVSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000414193781 280011289 /nfs/dbraw/zinc/01/12/89/280011289.db2.gz UVKLIHZAOBFUJJ-DZOHQFGASA-N 2 1 286.463 3.499 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000156150233 280013186 /nfs/dbraw/zinc/01/31/86/280013186.db2.gz KKBAOVDVSGDLKW-SGIREYDYSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000156150233 280013189 /nfs/dbraw/zinc/01/31/89/280013189.db2.gz KKBAOVDVSGDLKW-SGIREYDYSA-N 2 1 278.827 3.400 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429534770 280254665 /nfs/dbraw/zinc/25/46/65/280254665.db2.gz FZACLNWWSWRJLP-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429534770 280254667 /nfs/dbraw/zinc/25/46/67/280254667.db2.gz FZACLNWWSWRJLP-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000529524441 288258068 /nfs/dbraw/zinc/25/80/68/288258068.db2.gz AWKXFIQEWFNOGF-HNNXBMFYSA-N 2 1 280.375 3.271 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529533692 288259168 /nfs/dbraw/zinc/25/91/68/288259168.db2.gz SPIOUPGVCLXXJW-JHJVBQTASA-N 2 1 274.399 3.130 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529533692 288259170 /nfs/dbraw/zinc/25/91/70/288259170.db2.gz SPIOUPGVCLXXJW-JHJVBQTASA-N 2 1 274.399 3.130 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CCCC2)o1 ZINC000423264158 280992145 /nfs/dbraw/zinc/99/21/45/280992145.db2.gz BPCOJSIYXIXOHD-GOEBONIOSA-N 2 1 264.413 3.392 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c[nH]c2c1 ZINC000268807250 281043730 /nfs/dbraw/zinc/04/37/30/281043730.db2.gz LAVIILSIOVYCKQ-HDMKZQKVSA-N 2 1 299.462 3.337 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000268874061 281059550 /nfs/dbraw/zinc/05/95/50/281059550.db2.gz DNCYTINHZIDSBT-LXZKKBNFSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000268874061 281059551 /nfs/dbraw/zinc/05/95/51/281059551.db2.gz DNCYTINHZIDSBT-LXZKKBNFSA-N 2 1 258.409 3.055 20 0 CGADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000420371049 281241189 /nfs/dbraw/zinc/24/11/89/281241189.db2.gz KBGKXXBXUIXWLO-CHWSQXEVSA-N 2 1 292.389 3.287 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000189378781 281291292 /nfs/dbraw/zinc/29/12/92/281291292.db2.gz ZXYNMRGACFPDIR-BFYDXBDKSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000189378781 281291293 /nfs/dbraw/zinc/29/12/93/281291293.db2.gz ZXYNMRGACFPDIR-BFYDXBDKSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1ccccc1[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000271323417 281392668 /nfs/dbraw/zinc/39/26/68/281392668.db2.gz UEIWXTNLEFFOEM-IRXDYDNUSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000271323417 281392669 /nfs/dbraw/zinc/39/26/69/281392669.db2.gz UEIWXTNLEFFOEM-IRXDYDNUSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000271323417 281392670 /nfs/dbraw/zinc/39/26/70/281392670.db2.gz UEIWXTNLEFFOEM-IRXDYDNUSA-N 2 1 272.436 3.269 20 0 CGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000531339963 288334607 /nfs/dbraw/zinc/33/46/07/288334607.db2.gz KPNQJENZZQAFQL-MTCRFPMVSA-N 2 1 284.447 3.364 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000531339963 288334609 /nfs/dbraw/zinc/33/46/09/288334609.db2.gz KPNQJENZZQAFQL-MTCRFPMVSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000531339963 288334610 /nfs/dbraw/zinc/33/46/10/288334610.db2.gz KPNQJENZZQAFQL-MTCRFPMVSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000531339963 288334612 /nfs/dbraw/zinc/33/46/12/288334612.db2.gz KPNQJENZZQAFQL-MTCRFPMVSA-N 2 1 284.447 3.364 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000532441041 288360718 /nfs/dbraw/zinc/36/07/18/288360718.db2.gz YUIVMIUIZLKNLI-GFCCVEGCSA-N 2 1 296.842 3.484 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884484 289027489 /nfs/dbraw/zinc/02/74/89/289027489.db2.gz LOHJHJLCJZFMRE-JONQDZQNSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884484 289027491 /nfs/dbraw/zinc/02/74/91/289027491.db2.gz LOHJHJLCJZFMRE-JONQDZQNSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000549034789 289032593 /nfs/dbraw/zinc/03/25/93/289032593.db2.gz ACEZGDDTHNRLMI-TWMKSMIVSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000549041354 289033744 /nfs/dbraw/zinc/03/37/44/289033744.db2.gz XCKIONFOILMWIG-ZIAGYGMSSA-N 2 1 296.405 3.217 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143139 289036192 /nfs/dbraw/zinc/03/61/92/289036192.db2.gz UVLUREIKGHELFF-LTDCPUDJSA-N 2 1 284.447 3.253 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000551132178 289099664 /nfs/dbraw/zinc/09/96/64/289099664.db2.gz DDXDDLQWEMFYNC-IRXDYDNUSA-N 2 1 270.420 3.354 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000551132178 289099665 /nfs/dbraw/zinc/09/96/65/289099665.db2.gz DDXDDLQWEMFYNC-IRXDYDNUSA-N 2 1 270.420 3.354 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC1(C)C)C1CCCCC1 ZINC000551792855 289133226 /nfs/dbraw/zinc/13/32/26/289133226.db2.gz PTDOAKCOHZBQRD-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000552048518 289155041 /nfs/dbraw/zinc/15/50/41/289155041.db2.gz VUDJVIFUNMCYON-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000552048518 289155043 /nfs/dbraw/zinc/15/50/43/289155043.db2.gz VUDJVIFUNMCYON-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC1CC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000556586811 289399323 /nfs/dbraw/zinc/39/93/23/289399323.db2.gz WHCLAQVGZATGCU-NFOMZHRRSA-N 2 1 252.446 3.275 20 0 CGADMP CCC1CC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000556586811 289399324 /nfs/dbraw/zinc/39/93/24/289399324.db2.gz WHCLAQVGZATGCU-NFOMZHRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000353246034 289962331 /nfs/dbraw/zinc/96/23/31/289962331.db2.gz DQPLPVKOSZGDNL-FZMZJTMJSA-N 2 1 274.399 3.130 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccsc1)Cc1ccccc1 ZINC000230000860 295229959 /nfs/dbraw/zinc/22/99/59/295229959.db2.gz WPZPKWAVWLLPQD-UHFFFAOYSA-N 2 1 260.406 3.099 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccsc1)Cc1ccccc1 ZINC000230000860 295229962 /nfs/dbraw/zinc/22/99/62/295229962.db2.gz WPZPKWAVWLLPQD-UHFFFAOYSA-N 2 1 260.406 3.099 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000424296020 295300919 /nfs/dbraw/zinc/30/09/19/295300919.db2.gz RWSYLPRFLWVQCW-RBSFLKMASA-N 2 1 264.800 3.187 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000226539475 299000369 /nfs/dbraw/zinc/00/03/69/299000369.db2.gz LUGLQSDIIPGQHP-SRVKXCTJSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000226539475 299000373 /nfs/dbraw/zinc/00/03/73/299000373.db2.gz LUGLQSDIIPGQHP-SRVKXCTJSA-N 2 1 297.240 3.179 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCCCC1 ZINC000423174333 303359860 /nfs/dbraw/zinc/35/98/60/303359860.db2.gz AJZQCCUMFICPLW-OAHLLOKOSA-N 2 1 292.398 3.291 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH+](CC)CC)c1ccccn1 ZINC000158440703 321815974 /nfs/dbraw/zinc/81/59/74/321815974.db2.gz PMTZSGBOTWWNHA-HNNXBMFYSA-N 2 1 263.429 3.244 20 0 CGADMP CCCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000563778760 322009808 /nfs/dbraw/zinc/00/98/08/322009808.db2.gz XRNZSQLTPWMSSO-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000563778760 322009811 /nfs/dbraw/zinc/00/98/11/322009811.db2.gz XRNZSQLTPWMSSO-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000563778760 322009812 /nfs/dbraw/zinc/00/98/12/322009812.db2.gz XRNZSQLTPWMSSO-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000563778760 322009814 /nfs/dbraw/zinc/00/98/14/322009814.db2.gz XRNZSQLTPWMSSO-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)c(F)c1 ZINC000563880374 322014249 /nfs/dbraw/zinc/01/42/49/322014249.db2.gz VUAAXQWTNKNKKY-VIFPVBQESA-N 2 1 256.752 3.011 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000563944744 322016349 /nfs/dbraw/zinc/01/63/49/322016349.db2.gz UJAYTWYVXKVAJN-KRWDZBQOSA-N 2 1 296.499 3.421 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000564096184 322020642 /nfs/dbraw/zinc/02/06/42/322020642.db2.gz HEJIZMPMVPRDBX-GOSISDBHSA-N 2 1 283.419 3.498 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000564096184 322020644 /nfs/dbraw/zinc/02/06/44/322020644.db2.gz HEJIZMPMVPRDBX-GOSISDBHSA-N 2 1 283.419 3.498 20 0 CGADMP C[N@@H+](CCC[NH3+])CCCCc1cccc(C(F)(F)F)c1 ZINC000564655348 322037733 /nfs/dbraw/zinc/03/77/33/322037733.db2.gz JHJGYFDQIMJKTB-UHFFFAOYSA-N 2 1 288.357 3.309 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000565950918 322097833 /nfs/dbraw/zinc/09/78/33/322097833.db2.gz MUSXJFHMKGWJJB-ROUUACIJSA-N 2 1 274.452 3.248 20 0 CGADMP c1nc(C2CCCCC2)sc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000566056204 322102097 /nfs/dbraw/zinc/10/20/97/322102097.db2.gz XFROJCBDGVXPHG-CYBMUJFWSA-N 2 1 293.480 3.280 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)CC(C)C ZINC000567188821 322153406 /nfs/dbraw/zinc/15/34/06/322153406.db2.gz UFEAGZKSNQYTGO-LTIDMASMSA-N 2 1 284.488 3.289 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000567363382 322160472 /nfs/dbraw/zinc/16/04/72/322160472.db2.gz CQXXVQVATPNMSP-TZMCWYRMSA-N 2 1 264.438 3.110 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000567363382 322160474 /nfs/dbraw/zinc/16/04/74/322160474.db2.gz CQXXVQVATPNMSP-TZMCWYRMSA-N 2 1 264.438 3.110 20 0 CGADMP Cc1ccc2cc[nH+]c(NCC[C@H]3CCC[NH2+]3)c2c1 ZINC000567879116 322181129 /nfs/dbraw/zinc/18/11/29/322181129.db2.gz LFYTVXIWMFRNLG-CQSZACIVSA-N 2 1 255.365 3.097 20 0 CGADMP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)c1 ZINC000568368462 322206116 /nfs/dbraw/zinc/20/61/16/322206116.db2.gz PXAPXHPJVVQRJM-IRXDYDNUSA-N 2 1 290.451 3.076 20 0 CGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)c1 ZINC000568368462 322206119 /nfs/dbraw/zinc/20/61/19/322206119.db2.gz PXAPXHPJVVQRJM-IRXDYDNUSA-N 2 1 290.451 3.076 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000568917721 322227486 /nfs/dbraw/zinc/22/74/86/322227486.db2.gz DHZKBBWYWIVZED-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000568917721 322227489 /nfs/dbraw/zinc/22/74/89/322227489.db2.gz DHZKBBWYWIVZED-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000568917721 322227490 /nfs/dbraw/zinc/22/74/90/322227490.db2.gz DHZKBBWYWIVZED-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000569339406 322243932 /nfs/dbraw/zinc/24/39/32/322243932.db2.gz BHIVHGXECMBCFG-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000569339406 322243934 /nfs/dbraw/zinc/24/39/34/322243934.db2.gz BHIVHGXECMBCFG-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000571018797 322287864 /nfs/dbraw/zinc/28/78/64/322287864.db2.gz KXJCIRDUBWVLOC-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC000572796057 322355127 /nfs/dbraw/zinc/35/51/27/322355127.db2.gz YHHQUTHRHYKHSL-IAGOWNOFSA-N 2 1 289.467 3.380 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000573108367 322370815 /nfs/dbraw/zinc/37/08/15/322370815.db2.gz XTFGDSXWHJOIKZ-TVQRCGJNSA-N 2 1 258.768 3.113 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000573344410 322383199 /nfs/dbraw/zinc/38/31/99/322383199.db2.gz WSGVNAXZICJSCL-FDMITFGQSA-N 2 1 286.463 3.499 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1Cc2ccccc2C1 ZINC000573497248 322391009 /nfs/dbraw/zinc/39/10/09/322391009.db2.gz YUGNYIZQIFJFDB-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000577583338 335373452 /nfs/dbraw/zinc/37/34/52/335373452.db2.gz IEPGFQGQQOFCBN-WBVHZDCISA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000577583338 335373453 /nfs/dbraw/zinc/37/34/53/335373453.db2.gz IEPGFQGQQOFCBN-WBVHZDCISA-N 2 1 272.436 3.397 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC000581604338 336110711 /nfs/dbraw/zinc/11/07/11/336110711.db2.gz BQVDXIVSSVQTKB-CQSZACIVSA-N 2 1 269.392 3.297 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@H]3CCC[N@H+](C)C3)c2c1 ZINC000581604338 336110712 /nfs/dbraw/zinc/11/07/12/336110712.db2.gz BQVDXIVSSVQTKB-CQSZACIVSA-N 2 1 269.392 3.297 20 0 CGADMP CSCC1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000385583120 336152069 /nfs/dbraw/zinc/15/20/69/336152069.db2.gz SWDXJUXNBWJJQF-PCKAHOCUSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1CCCC[NH2+]1 ZINC000386379336 336171969 /nfs/dbraw/zinc/17/19/69/336171969.db2.gz CSNLTJDURWPERI-ZYHUDNBSSA-N 2 1 272.845 3.064 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000386506079 336175913 /nfs/dbraw/zinc/17/59/13/336175913.db2.gz WNGFGTOVLMTKHX-OLZOCXBDSA-N 2 1 266.454 3.146 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427103671 533770819 /nfs/dbraw/zinc/77/08/19/533770819.db2.gz WOAOTBQPGXHBQL-BBRMVZONSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427103671 533770829 /nfs/dbraw/zinc/77/08/29/533770829.db2.gz WOAOTBQPGXHBQL-BBRMVZONSA-N 2 1 278.827 3.141 20 0 CGADMP C[C@H]([NH2+]CCC1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000432856934 533842553 /nfs/dbraw/zinc/84/25/53/533842553.db2.gz BZRKZRUOJMTSNM-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423353729 533865573 /nfs/dbraw/zinc/86/55/73/533865573.db2.gz CDTZVJZPOCHBPU-NWDGAFQWSA-N 2 1 252.789 3.133 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1Cl ZINC000423319737 533889638 /nfs/dbraw/zinc/88/96/38/533889638.db2.gz DUQUQRKUOPMJGX-WFASDCNBSA-N 2 1 266.816 3.380 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1C(F)(F)F ZINC000423313329 533897525 /nfs/dbraw/zinc/89/75/25/533897525.db2.gz FNLBDZMNBFUCHP-ZANVPECISA-N 2 1 272.314 3.093 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)COC2 ZINC000423266007 533996002 /nfs/dbraw/zinc/99/60/02/533996002.db2.gz RNCJFKUSTHPYMK-SCLBCKFNSA-N 2 1 288.435 3.275 20 0 CGADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000415044312 534083096 /nfs/dbraw/zinc/08/30/96/534083096.db2.gz BQOUMCZRUVEXQI-BLLLJJGKSA-N 2 1 264.388 3.036 20 0 CGADMP Cc1ccc(CSCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000359517207 534105519 /nfs/dbraw/zinc/10/55/19/534105519.db2.gz NMRCLWJNQVCOOG-RDJZCZTQSA-N 2 1 292.492 3.301 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCF)C1 ZINC000367544896 534163936 /nfs/dbraw/zinc/16/39/36/534163936.db2.gz QLHNZTICMCZQRI-CVEARBPZSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCF)C1 ZINC000367544896 534163943 /nfs/dbraw/zinc/16/39/43/534163943.db2.gz QLHNZTICMCZQRI-CVEARBPZSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCF)C1 ZINC000367544896 534163946 /nfs/dbraw/zinc/16/39/46/534163946.db2.gz QLHNZTICMCZQRI-CVEARBPZSA-N 2 1 270.436 3.323 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000356135455 534207296 /nfs/dbraw/zinc/20/72/96/534207296.db2.gz ZZUHIIUVTJOREL-GXTWGEPZSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000356135455 534207299 /nfs/dbraw/zinc/20/72/99/534207299.db2.gz ZZUHIIUVTJOREL-GXTWGEPZSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000356135455 534207301 /nfs/dbraw/zinc/20/73/01/534207301.db2.gz ZZUHIIUVTJOREL-GXTWGEPZSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000356135455 534207303 /nfs/dbraw/zinc/20/73/03/534207303.db2.gz ZZUHIIUVTJOREL-GXTWGEPZSA-N 2 1 296.505 3.386 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000449064700 534259276 /nfs/dbraw/zinc/25/92/76/534259276.db2.gz WCCKGZBQPDXNDT-HNNXBMFYSA-N 2 1 278.440 3.455 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000161155668 519796247 /nfs/dbraw/zinc/79/62/47/519796247.db2.gz IKFDYJBEUILFLI-AWEZNQCLSA-N 2 1 272.795 3.284 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000161155668 519796248 /nfs/dbraw/zinc/79/62/48/519796248.db2.gz IKFDYJBEUILFLI-AWEZNQCLSA-N 2 1 272.795 3.284 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000156109229 519796283 /nfs/dbraw/zinc/79/62/83/519796283.db2.gz BYOGTYLPZPLOIM-AWEZNQCLSA-N 2 1 270.367 3.429 20 0 CGADMP c1ccc(CC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000358345934 534482412 /nfs/dbraw/zinc/48/24/12/534482412.db2.gz QAMVPCOXXJEHBK-MSOLQXFVSA-N 2 1 284.447 3.226 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(C)s2)CC1 ZINC000080240143 521580313 /nfs/dbraw/zinc/58/03/13/521580313.db2.gz NXHUNCGLXIZMKK-GFCCVEGCSA-N 2 1 266.454 3.061 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000037643903 521717734 /nfs/dbraw/zinc/71/77/34/521717734.db2.gz XCLDRHAMHUKFBP-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP COCc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157411660 523056021 /nfs/dbraw/zinc/05/60/21/523056021.db2.gz IHUYPTZGLDGGKL-QZTJIDSGSA-N 2 1 282.387 3.067 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150292456 524844212 /nfs/dbraw/zinc/84/42/12/524844212.db2.gz WJOSPBGXJTWXPN-SMDDNHRTSA-N 2 1 268.351 3.183 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000061362759 525456005 /nfs/dbraw/zinc/45/60/05/525456005.db2.gz NBRDVRRGTFNMNV-OCCSQVGLSA-N 2 1 252.427 3.273 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000061362759 525456009 /nfs/dbraw/zinc/45/60/09/525456009.db2.gz NBRDVRRGTFNMNV-OCCSQVGLSA-N 2 1 252.427 3.273 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425934955 534879361 /nfs/dbraw/zinc/87/93/61/534879361.db2.gz BJQLWCCLLLBLAO-RYUDHWBXSA-N 2 1 283.485 3.423 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553256 536475285 /nfs/dbraw/zinc/47/52/85/536475285.db2.gz XLXJOSNHGUFSDC-RTBURBONSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553256 536475288 /nfs/dbraw/zinc/47/52/88/536475288.db2.gz XLXJOSNHGUFSDC-RTBURBONSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553256 536475291 /nfs/dbraw/zinc/47/52/91/536475291.db2.gz XLXJOSNHGUFSDC-RTBURBONSA-N 2 1 284.447 3.480 20 0 CGADMP Clc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000157471811 527001981 /nfs/dbraw/zinc/00/19/81/527001981.db2.gz IHRBHEJOQNSIAN-NWDGAFQWSA-N 2 1 270.829 3.118 20 0 CGADMP Clc1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000157471811 527001984 /nfs/dbraw/zinc/00/19/84/527001984.db2.gz IHRBHEJOQNSIAN-NWDGAFQWSA-N 2 1 270.829 3.118 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000436468733 527629247 /nfs/dbraw/zinc/62/92/47/527629247.db2.gz FZXZRUCXTDCCOC-CVSAEHQPSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000436468733 527629251 /nfs/dbraw/zinc/62/92/51/527629251.db2.gz FZXZRUCXTDCCOC-CVSAEHQPSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449089906 527742874 /nfs/dbraw/zinc/74/28/74/527742874.db2.gz LTTLASURRYZCDF-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CCC1(C[NH2+]C2CC[NH+](CCOC)CC2)CCCCC1 ZINC000358239170 527745674 /nfs/dbraw/zinc/74/56/74/527745674.db2.gz PBBSAHTYBSSLNZ-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cccnc3o2)C[C@@H]1C ZINC000449033419 527755914 /nfs/dbraw/zinc/75/59/14/527755914.db2.gz ZQHUHYZTIDXHPO-DZGCQCFKSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3cccnc3o2)C[C@@H]1C ZINC000449033419 527755919 /nfs/dbraw/zinc/75/59/19/527755919.db2.gz ZQHUHYZTIDXHPO-DZGCQCFKSA-N 2 1 287.407 3.132 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3cccnc3o2)C[C@@H]1C ZINC000449033419 527755921 /nfs/dbraw/zinc/75/59/21/527755921.db2.gz ZQHUHYZTIDXHPO-DZGCQCFKSA-N 2 1 287.407 3.132 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3cccnc3o2)C[C@@H]1C ZINC000449033419 527755927 /nfs/dbraw/zinc/75/59/27/527755927.db2.gz ZQHUHYZTIDXHPO-DZGCQCFKSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(C)c2)[C@H](C)C1 ZINC000174779508 527831892 /nfs/dbraw/zinc/83/18/92/527831892.db2.gz WUPYDGOTOIEHRR-AEFFLSMTSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(C)c2)[C@H](C)C1 ZINC000174779508 527831894 /nfs/dbraw/zinc/83/18/94/527831894.db2.gz WUPYDGOTOIEHRR-AEFFLSMTSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(C)c2)[C@H](C)C1 ZINC000174779508 527831895 /nfs/dbraw/zinc/83/18/95/527831895.db2.gz WUPYDGOTOIEHRR-AEFFLSMTSA-N 2 1 290.451 3.036 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414235062 527885089 /nfs/dbraw/zinc/88/50/89/527885089.db2.gz TXKYQBGHBPQWBY-YOEHRIQHSA-N 2 1 289.467 3.199 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414235062 527885093 /nfs/dbraw/zinc/88/50/93/527885093.db2.gz TXKYQBGHBPQWBY-YOEHRIQHSA-N 2 1 289.467 3.199 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423440939 528165285 /nfs/dbraw/zinc/16/52/85/528165285.db2.gz ITKLMOTYLZWYKR-IHRRRGAJSA-N 2 1 264.413 3.108 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000414079184 528255254 /nfs/dbraw/zinc/25/52/54/528255254.db2.gz SOGXLDCJZPYMQO-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)CC(C)C ZINC000449071962 528280865 /nfs/dbraw/zinc/28/08/65/528280865.db2.gz CSVPVEURYSRNLO-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423238180 528332381 /nfs/dbraw/zinc/33/23/81/528332381.db2.gz QTCHCOYWNHLGLX-CQSZACIVSA-N 2 1 287.451 3.423 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423270424 528517181 /nfs/dbraw/zinc/51/71/81/528517181.db2.gz WQEPKWJBKPZNGI-SWLSCSKDSA-N 2 1 284.394 3.249 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423264326 528533319 /nfs/dbraw/zinc/53/33/19/528533319.db2.gz PXMVGEYCYRAHLS-DYVFJYSZSA-N 2 1 256.393 3.474 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423266346 528691310 /nfs/dbraw/zinc/69/13/10/528691310.db2.gz BSINOAPFHKPCFA-SUMWQHHRSA-N 2 1 276.424 3.253 20 0 CGADMP CC(CC[NH+](C)C1CCC1)CC[N@@H+](C)C1CCC1 ZINC000411293207 528705736 /nfs/dbraw/zinc/70/57/36/528705736.db2.gz LLQCQOAOWAJFFG-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423290392 528949966 /nfs/dbraw/zinc/94/99/66/528949966.db2.gz ZYCODJPQBLCUHY-ZDUSSCGKSA-N 2 1 271.408 3.403 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000423301720 528955831 /nfs/dbraw/zinc/95/58/31/528955831.db2.gz URGLDLXRBBZDQX-AEFFLSMTSA-N 2 1 290.451 3.123 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000423295015 528955925 /nfs/dbraw/zinc/95/59/25/528955925.db2.gz DFBLABKYMAIYGU-UONOGXRCSA-N 2 1 294.439 3.180 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511775 529033484 /nfs/dbraw/zinc/03/34/84/529033484.db2.gz PAECIXFKBIQGHM-BPQIPLTHSA-N 2 1 274.452 3.170 20 0 CGADMP CC(C)[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)c(F)c1 ZINC000423327337 529119604 /nfs/dbraw/zinc/11/96/04/529119604.db2.gz MWKOZCAITRYMLL-AWEZNQCLSA-N 2 1 268.351 3.133 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424372994 529173369 /nfs/dbraw/zinc/17/33/69/529173369.db2.gz GGGSSAWSFVXFRC-AWEZNQCLSA-N 2 1 290.426 3.352 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000423527344 529206536 /nfs/dbraw/zinc/20/65/36/529206536.db2.gz MJDOIKUFRBBKDK-HZPDHXFCSA-N 2 1 264.388 3.384 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423460573 529257092 /nfs/dbraw/zinc/25/70/92/529257092.db2.gz JCRQIVGWLRYUCP-VXGBXAGGSA-N 2 1 252.427 3.187 20 0 CGADMP CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483489998 534950386 /nfs/dbraw/zinc/95/03/86/534950386.db2.gz HNASNQLTUXVPRC-ZWKOTPCHSA-N 2 1 272.436 3.383 20 0 CGADMP CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483489998 534950391 /nfs/dbraw/zinc/95/03/91/534950391.db2.gz HNASNQLTUXVPRC-ZWKOTPCHSA-N 2 1 272.436 3.383 20 0 CGADMP CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483489998 534950396 /nfs/dbraw/zinc/95/03/96/534950396.db2.gz HNASNQLTUXVPRC-ZWKOTPCHSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000494329258 535087176 /nfs/dbraw/zinc/08/71/76/535087176.db2.gz FHKATPHHVGIYGE-KLAILNCOSA-N 2 1 296.499 3.290 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000484628321 535245274 /nfs/dbraw/zinc/24/52/74/535245274.db2.gz YPDHDCHOYWPDFT-NVXWUHKLSA-N 2 1 290.451 3.214 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000484628321 535245278 /nfs/dbraw/zinc/24/52/78/535245278.db2.gz YPDHDCHOYWPDFT-NVXWUHKLSA-N 2 1 290.451 3.214 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483500240 535351327 /nfs/dbraw/zinc/35/13/27/535351327.db2.gz GVUFJHJPISTSNX-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483500240 535351332 /nfs/dbraw/zinc/35/13/32/535351332.db2.gz GVUFJHJPISTSNX-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483500240 535351335 /nfs/dbraw/zinc/35/13/35/535351335.db2.gz GVUFJHJPISTSNX-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@H]2CC[N@H+](CCC)C2)c1 ZINC000479542516 535432186 /nfs/dbraw/zinc/43/21/86/535432186.db2.gz KEMJGUKBQDEHIZ-GOSISDBHSA-N 2 1 274.452 3.461 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130227166 535549100 /nfs/dbraw/zinc/54/91/00/535549100.db2.gz NAUUDIQFXUXWOR-ARFHVFGLSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130227166 535549106 /nfs/dbraw/zinc/54/91/06/535549106.db2.gz NAUUDIQFXUXWOR-ARFHVFGLSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000166335291 572460607 /nfs/dbraw/zinc/46/06/07/572460607.db2.gz CQZJSNHRYYNENS-PNBKFKSVSA-N 2 1 260.425 3.251 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000166335291 572460613 /nfs/dbraw/zinc/46/06/13/572460613.db2.gz CQZJSNHRYYNENS-PNBKFKSVSA-N 2 1 260.425 3.251 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C)C[C@@H]1C ZINC000749118122 572989379 /nfs/dbraw/zinc/98/93/79/572989379.db2.gz ZHFVSAPLFNTNSC-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000749287436 572991586 /nfs/dbraw/zinc/99/15/86/572991586.db2.gz HVWLWYZSBAKNRE-SJORKVTESA-N 2 1 283.419 3.197 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(C)(C)SC)C1 ZINC000876770560 634896875 /nfs/dbraw/zinc/89/68/75/634896875.db2.gz HMDOCFDYPUFVDE-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])Cc1c(F)cccc1F ZINC000846217610 618077540 /nfs/dbraw/zinc/07/75/40/618077540.db2.gz FRHCDPLPPASEKE-UHFFFAOYSA-N 2 1 270.367 3.306 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806129979 617831016 /nfs/dbraw/zinc/83/10/16/617831016.db2.gz NLEMBQYPOIFGNM-ZDUSSCGKSA-N 2 1 281.831 3.042 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806129979 617831019 /nfs/dbraw/zinc/83/10/19/617831019.db2.gz NLEMBQYPOIFGNM-ZDUSSCGKSA-N 2 1 281.831 3.042 20 0 CGADMP CCOc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000891745206 618274472 /nfs/dbraw/zinc/27/44/72/618274472.db2.gz FZVXBPPRULPYJA-UHFFFAOYSA-N 2 1 294.439 3.231 20 0 CGADMP CCc1ncc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)o1 ZINC000926538244 618729927 /nfs/dbraw/zinc/72/99/27/618729927.db2.gz RXSACWMMWKMJKG-ZDUSSCGKSA-N 2 1 287.407 3.149 20 0 CGADMP Cc1cccc2c1[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000926542222 618731325 /nfs/dbraw/zinc/73/13/25/618731325.db2.gz QLOHJJIYWCDVBS-HMQMGEFJSA-N 2 1 270.420 3.197 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091844564 618737315 /nfs/dbraw/zinc/73/73/15/618737315.db2.gz XOICLJCYFWJJOE-UHFFFAOYSA-N 2 1 276.424 3.176 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000250324200 618743529 /nfs/dbraw/zinc/74/35/29/618743529.db2.gz NQEXJIJDAQQBDR-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1nccc2Cl)C1CC1 ZINC000926561417 618744250 /nfs/dbraw/zinc/74/42/50/618744250.db2.gz YDIVGQVHACZENQ-HNNXBMFYSA-N 2 1 293.842 3.186 20 0 CGADMP COC1CCC(C[NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000892413279 618764791 /nfs/dbraw/zinc/76/47/91/618764791.db2.gz FMTNTPPLBPATIC-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cnc1F ZINC000892585636 618867635 /nfs/dbraw/zinc/86/76/35/618867635.db2.gz WWIZRDOEHZRKGH-OAHLLOKOSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893304078 619080650 /nfs/dbraw/zinc/08/06/50/619080650.db2.gz KDAYBZGFCIGSIU-UHFFFAOYSA-N 2 1 276.424 3.237 20 0 CGADMP CCOc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)o1 ZINC000893333913 619106184 /nfs/dbraw/zinc/10/61/84/619106184.db2.gz WQHXAAVAVIGCFH-UHFFFAOYSA-N 2 1 288.391 3.030 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)C1CCCC1 ZINC000094372762 619245124 /nfs/dbraw/zinc/24/51/24/619245124.db2.gz DOYZUCBCXRUYEO-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)C1CCCC1 ZINC000094372762 619245127 /nfs/dbraw/zinc/24/51/27/619245127.db2.gz DOYZUCBCXRUYEO-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925783957 619246610 /nfs/dbraw/zinc/24/66/10/619246610.db2.gz QAQITVOGULYGAB-DOMZBBRYSA-N 2 1 298.352 3.038 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc[nH]2)cc1 ZINC000894176558 619406227 /nfs/dbraw/zinc/40/62/27/619406227.db2.gz UITQKUQYSGOXFQ-HNNXBMFYSA-N 2 1 298.434 3.074 20 0 CGADMP FC(F)Sc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262009277 619521367 /nfs/dbraw/zinc/52/13/67/619521367.db2.gz MEPJJZXQBHGZLV-OAHLLOKOSA-N 2 1 298.402 3.187 20 0 CGADMP FC(F)Sc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262009277 619521370 /nfs/dbraw/zinc/52/13/70/619521370.db2.gz MEPJJZXQBHGZLV-OAHLLOKOSA-N 2 1 298.402 3.187 20 0 CGADMP COCCCC1(C[N@H+](C)CCCn2cc[nH+]c2C)CCC1 ZINC000894475326 619548370 /nfs/dbraw/zinc/54/83/70/619548370.db2.gz CIUUYMLNLAIJOL-UHFFFAOYSA-N 2 1 293.455 3.110 20 0 CGADMP COCCCC1(C[N@@H+](C)CCCn2cc[nH+]c2C)CCC1 ZINC000894475326 619548375 /nfs/dbraw/zinc/54/83/75/619548375.db2.gz CIUUYMLNLAIJOL-UHFFFAOYSA-N 2 1 293.455 3.110 20 0 CGADMP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000894495160 619555593 /nfs/dbraw/zinc/55/55/93/619555593.db2.gz JEQJHIXEGBYZTG-QAPCUYQASA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000894495160 619555600 /nfs/dbraw/zinc/55/56/00/619555600.db2.gz JEQJHIXEGBYZTG-QAPCUYQASA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000894495160 619555606 /nfs/dbraw/zinc/55/56/06/619555606.db2.gz JEQJHIXEGBYZTG-QAPCUYQASA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000894495160 619555615 /nfs/dbraw/zinc/55/56/15/619555615.db2.gz JEQJHIXEGBYZTG-QAPCUYQASA-N 2 1 289.467 3.052 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000894773690 619628239 /nfs/dbraw/zinc/62/82/39/619628239.db2.gz WESREAJHGIQONC-QGZVFWFLSA-N 2 1 294.389 3.444 20 0 CGADMP CSc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000894777527 619631419 /nfs/dbraw/zinc/63/14/19/619631419.db2.gz RNQOYFPFCRIIHF-UHFFFAOYSA-N 2 1 279.409 3.029 20 0 CGADMP CSc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000894777527 619631420 /nfs/dbraw/zinc/63/14/20/619631420.db2.gz RNQOYFPFCRIIHF-UHFFFAOYSA-N 2 1 279.409 3.029 20 0 CGADMP CC(C)[C@H]1[N@@H+](CC2CC[NH+](C)CC2)CC12CCCC2 ZINC000894797005 619638349 /nfs/dbraw/zinc/63/83/49/619638349.db2.gz HEIXDBSMAUHTTG-MRXNPFEDSA-N 2 1 264.457 3.229 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000066245826 619739682 /nfs/dbraw/zinc/73/96/82/619739682.db2.gz PCBCJDZKNJZABZ-MRXNPFEDSA-N 2 1 288.439 3.277 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccccc1N1CCCCC1)[NH+](C)C ZINC000895300576 619800149 /nfs/dbraw/zinc/80/01/49/619800149.db2.gz ZVVZZCYEZJRCCR-INIZCTEOSA-N 2 1 289.467 3.107 20 0 CGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000924626790 620545753 /nfs/dbraw/zinc/54/57/53/620545753.db2.gz LVVQZMXXAGPRIA-BMNJFWBPSA-N 2 1 290.373 3.037 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000902265986 621232564 /nfs/dbraw/zinc/23/25/64/621232564.db2.gz HUPGXKJRAFCSAU-UHFFFAOYSA-N 2 1 286.423 3.112 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C1 ZINC000902361350 621289812 /nfs/dbraw/zinc/28/98/12/621289812.db2.gz MZMNSWJRUNAMNV-HIFRSBDPSA-N 2 1 292.398 3.017 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000902412541 621297511 /nfs/dbraw/zinc/29/75/11/621297511.db2.gz CSDCGDXSXLVVOZ-GFCCVEGCSA-N 2 1 282.840 3.348 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000902415840 621308678 /nfs/dbraw/zinc/30/86/78/621308678.db2.gz KSSBKHIUYOTSLU-NSHDSACASA-N 2 1 271.191 3.062 20 0 CGADMP [NH3+]C1(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000902418735 621310821 /nfs/dbraw/zinc/31/08/21/621310821.db2.gz ZDFQXYUYVSOECA-QGZVFWFLSA-N 2 1 266.388 3.051 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H](C)c1ccc(Cl)cc1 ZINC000902467625 621339333 /nfs/dbraw/zinc/33/93/33/621339333.db2.gz PUEJXSWZKAASND-KCGURWGYSA-N 2 1 278.827 3.315 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2ccncc2)C2CC2)c2ccccc21 ZINC000902516268 621359128 /nfs/dbraw/zinc/35/91/28/621359128.db2.gz CISPYIXGOUTIBQ-KURKYZTESA-N 2 1 279.387 3.267 20 0 CGADMP c1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903055503 621544841 /nfs/dbraw/zinc/54/48/41/621544841.db2.gz HQECFULYWAQUQM-JLYLLQBASA-N 2 1 284.447 3.367 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCOC12CCCC2 ZINC000903069680 621567665 /nfs/dbraw/zinc/56/76/65/621567665.db2.gz YJYIQAZNVSISES-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCOC12CCCC2 ZINC000903069679 621567987 /nfs/dbraw/zinc/56/79/87/621567987.db2.gz YJYIQAZNVSISES-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(SC)CC2)[C@H](C)C1 ZINC000903156224 621600086 /nfs/dbraw/zinc/60/00/86/621600086.db2.gz QHYXOPSPJQQERQ-PRLABOORSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H](CC[NH2+][C@@H](c1ccccn1)C1CC1)[NH+]1CCCCC1 ZINC000903147674 621610147 /nfs/dbraw/zinc/61/01/47/621610147.db2.gz MGCLJVRKSJMHCT-CRAIPNDOSA-N 2 1 287.451 3.387 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903193236 621621022 /nfs/dbraw/zinc/62/10/22/621621022.db2.gz DFFAXMFITQOTCU-QGZVFWFLSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903193236 621621024 /nfs/dbraw/zinc/62/10/24/621621024.db2.gz DFFAXMFITQOTCU-QGZVFWFLSA-N 2 1 275.440 3.100 20 0 CGADMP c1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CC2)nc1 ZINC000903207686 621629630 /nfs/dbraw/zinc/62/96/30/621629630.db2.gz ZEPOOPFOBWITKN-LPHOPBHVSA-N 2 1 299.462 3.244 20 0 CGADMP c1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)nc1 ZINC000903207686 621629634 /nfs/dbraw/zinc/62/96/34/621629634.db2.gz ZEPOOPFOBWITKN-LPHOPBHVSA-N 2 1 299.462 3.244 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903427033 621741636 /nfs/dbraw/zinc/74/16/36/621741636.db2.gz QNGRQKYNZIHOAT-HFTRVMKXSA-N 2 1 288.435 3.350 20 0 CGADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439346 621748357 /nfs/dbraw/zinc/74/83/57/621748357.db2.gz GRZBDYMSVUEXIC-RANZSIQMSA-N 2 1 272.436 3.067 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440096 621748778 /nfs/dbraw/zinc/74/87/78/621748778.db2.gz SPVGAHZGIHEMMX-LGWLGOQQSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903424936 621751363 /nfs/dbraw/zinc/75/13/63/621751363.db2.gz MISJQDWPFSSYRA-SLBVQIDZSA-N 2 1 294.389 3.095 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2[nH]1 ZINC000903454372 621761514 /nfs/dbraw/zinc/76/15/14/621761514.db2.gz ZCOYZZKLQRGLDN-SJLPKXTDSA-N 2 1 283.419 3.132 20 0 CGADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903452918 621761656 /nfs/dbraw/zinc/76/16/56/621761656.db2.gz WOEALYRIBPMHTF-QDMKHBRRSA-N 2 1 286.410 3.119 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903784764 621808526 /nfs/dbraw/zinc/80/85/26/621808526.db2.gz RPWGBUYQYPPHBK-UONOGXRCSA-N 2 1 294.389 3.144 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903784764 621808530 /nfs/dbraw/zinc/80/85/30/621808530.db2.gz RPWGBUYQYPPHBK-UONOGXRCSA-N 2 1 294.389 3.144 20 0 CGADMP CC1(C)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000903823830 621816628 /nfs/dbraw/zinc/81/66/28/621816628.db2.gz KFCMMNVSEQSXMX-WBVHZDCISA-N 2 1 272.436 3.112 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000903842165 621819451 /nfs/dbraw/zinc/81/94/51/621819451.db2.gz KUFSLESWOKTBHE-JIRONKKISA-N 2 1 274.383 3.015 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888384 621822883 /nfs/dbraw/zinc/82/28/83/621822883.db2.gz AIQFJBOSZAQLAE-ZXFUBFMLSA-N 2 1 292.854 3.345 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)CC(F)F ZINC000903935431 621835272 /nfs/dbraw/zinc/83/52/72/621835272.db2.gz PKRIWDYVJVKHBK-AAEUAGOBSA-N 2 1 288.769 3.290 20 0 CGADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903916263 621836441 /nfs/dbraw/zinc/83/64/41/621836441.db2.gz GEDPQVQXUJLTGN-NHYWBVRUSA-N 2 1 298.352 3.105 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1c2ccccc2-c2ccccc21 ZINC000904325450 621907429 /nfs/dbraw/zinc/90/74/29/621907429.db2.gz ZYSSIRVZYVVFLA-OKILXGFUSA-N 2 1 278.399 3.426 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCC(F)(F)F)Cc2ccccc2)C1 ZINC000904342270 621909430 /nfs/dbraw/zinc/90/94/30/621909430.db2.gz BHPPVOMWTXEJQC-OKILXGFUSA-N 2 1 286.341 3.178 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904409724 621918927 /nfs/dbraw/zinc/91/89/27/621918927.db2.gz HDQCYWAONZNCBX-CMPLNLGQSA-N 2 1 286.341 3.180 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411174 621919248 /nfs/dbraw/zinc/91/92/48/621919248.db2.gz JHOZXZBODRLUOG-GOEBONIOSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC[C@H]1C[NH3+] ZINC000904410654 621919279 /nfs/dbraw/zinc/91/92/79/621919279.db2.gz QNOACNUIPDRSDR-ZJUUUORDSA-N 2 1 292.370 3.184 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CC[C@@H]1C[NH3+] ZINC000904410485 621919431 /nfs/dbraw/zinc/91/94/31/621919431.db2.gz FXXOVPYCMUMYLO-TZMCWYRMSA-N 2 1 293.480 3.217 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3cnco3)cc2)CC1 ZINC000906524528 622243480 /nfs/dbraw/zinc/24/34/80/622243480.db2.gz FALBSUFKLGQCSS-UHFFFAOYSA-N 2 1 299.418 3.304 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccnc2)C12CCC2 ZINC000925476624 624441500 /nfs/dbraw/zinc/44/15/00/624441500.db2.gz HMTFESWLBPAAIE-FGTMMUONSA-N 2 1 293.414 3.031 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(C2CCC2)c1)C(C)(C)C ZINC000921749213 625862171 /nfs/dbraw/zinc/86/21/71/625862171.db2.gz NJFIQWMQJNAYJK-INIZCTEOSA-N 2 1 292.471 3.064 20 0 CGADMP c1csc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923297912 626143924 /nfs/dbraw/zinc/14/39/24/626143924.db2.gz KTWFMOXCFDGFQC-CYBMUJFWSA-N 2 1 250.411 3.027 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923316580 626144817 /nfs/dbraw/zinc/14/48/17/626144817.db2.gz KRNJIAOMYDNGMD-YOEHRIQHSA-N 2 1 258.409 3.007 20 0 CGADMP Fc1ccc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)cc1F ZINC000923311487 626145821 /nfs/dbraw/zinc/14/58/21/626145821.db2.gz NPWLBOVAVQIXMX-UHFFFAOYSA-N 2 1 294.389 3.286 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492211 626157990 /nfs/dbraw/zinc/15/79/90/626157990.db2.gz AIMYUILXXZARGC-MBNYWOFBSA-N 2 1 266.816 3.318 20 0 CGADMP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923502644 626158338 /nfs/dbraw/zinc/15/83/38/626158338.db2.gz YADXLGMRHIEVHR-GJZGRUSLSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CCC[NH3+] ZINC000923525680 626161162 /nfs/dbraw/zinc/16/11/62/626161162.db2.gz JWOTXDMXGOAERH-ZDUSSCGKSA-N 2 1 272.845 3.147 20 0 CGADMP C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1CCC[NH3+] ZINC000923531477 626161692 /nfs/dbraw/zinc/16/16/92/626161692.db2.gz RTNUUEFPRYBAKF-CYBMUJFWSA-N 2 1 272.845 3.147 20 0 CGADMP C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000757891735 626812662 /nfs/dbraw/zinc/81/26/62/626812662.db2.gz OZTHHWXEAZMPJK-HNNXBMFYSA-N 2 1 283.419 3.336 20 0 CGADMP CCCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000762649575 627119142 /nfs/dbraw/zinc/11/91/42/627119142.db2.gz OCNVACHSELIPQP-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762649575 627119143 /nfs/dbraw/zinc/11/91/43/627119143.db2.gz OCNVACHSELIPQP-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000764807247 627225877 /nfs/dbraw/zinc/22/58/77/627225877.db2.gz RZZTWUATTPMZRB-KRWDZBQOSA-N 2 1 260.425 3.302 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000765358994 627246571 /nfs/dbraw/zinc/24/65/71/627246571.db2.gz JNOCWIBWAZXERF-IOASZLSFSA-N 2 1 264.388 3.002 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC000765358499 627246683 /nfs/dbraw/zinc/24/66/83/627246683.db2.gz GSAGPFUBFBASIM-VBQJREDUSA-N 2 1 278.415 3.249 20 0 CGADMP c1ccc2c(c1)ccnc2C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000765403704 627248039 /nfs/dbraw/zinc/24/80/39/627248039.db2.gz JLIXGYFOZAFQPJ-UHFFFAOYSA-N 2 1 295.430 3.199 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000766325010 627320381 /nfs/dbraw/zinc/32/03/81/627320381.db2.gz IUBXTOAAIKQLKF-HNNXBMFYSA-N 2 1 298.434 3.007 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)Cc2ccccc21 ZINC000767355789 627401159 /nfs/dbraw/zinc/40/11/59/627401159.db2.gz VHJKHYVMSWJLIJ-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)Cc2ccccc21 ZINC000767355789 627401161 /nfs/dbraw/zinc/40/11/61/627401161.db2.gz VHJKHYVMSWJLIJ-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)Cc2ccccc21 ZINC000767355789 627401163 /nfs/dbraw/zinc/40/11/63/627401163.db2.gz VHJKHYVMSWJLIJ-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768684647 627492944 /nfs/dbraw/zinc/49/29/44/627492944.db2.gz ATKGFOGRDLKDFV-HIFPTAJRSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768684647 627492949 /nfs/dbraw/zinc/49/29/49/627492949.db2.gz ATKGFOGRDLKDFV-HIFPTAJRSA-N 2 1 274.399 3.130 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc3ccccc32)[C@H](C)C1 ZINC000769484015 627559011 /nfs/dbraw/zinc/55/90/11/627559011.db2.gz JEVASFIECZNIIU-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc3ccccc32)[C@H](C)C1 ZINC000769484015 627559015 /nfs/dbraw/zinc/55/90/15/627559015.db2.gz JEVASFIECZNIIU-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc3ccccc32)[C@H](C)C1 ZINC000769484015 627559018 /nfs/dbraw/zinc/55/90/18/627559018.db2.gz JEVASFIECZNIIU-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000125156298 634605127 /nfs/dbraw/zinc/60/51/27/634605127.db2.gz NXSBWGKEXCCOGM-GOSISDBHSA-N 2 1 290.426 3.489 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000779079391 628387313 /nfs/dbraw/zinc/38/73/13/628387313.db2.gz QNSAFJDDJFVHSR-IUDNXUCKSA-N 2 1 290.455 3.166 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000780288660 628478595 /nfs/dbraw/zinc/47/85/95/628478595.db2.gz LOJZLHOGFSPURX-SJLPKXTDSA-N 2 1 284.447 3.134 20 0 CGADMP C[C@H]([NH2+]Cc1ccoc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781415604 628558643 /nfs/dbraw/zinc/55/86/43/628558643.db2.gz BZSXZPCGUREBIU-ZFWWWQNUSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@H]([NH2+]Cc1ccoc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781415604 628558646 /nfs/dbraw/zinc/55/86/46/628558646.db2.gz BZSXZPCGUREBIU-ZFWWWQNUSA-N 2 1 262.397 3.022 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782183357 628620986 /nfs/dbraw/zinc/62/09/86/628620986.db2.gz YZNLZTUZPDQHGJ-BLLLJJGKSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782183357 628620990 /nfs/dbraw/zinc/62/09/90/628620990.db2.gz YZNLZTUZPDQHGJ-BLLLJJGKSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000788471318 629056992 /nfs/dbraw/zinc/05/69/92/629056992.db2.gz OZJQBZNZTVNAFH-AWEZNQCLSA-N 2 1 264.438 3.227 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCC1 ZINC000788549435 629064335 /nfs/dbraw/zinc/06/43/35/629064335.db2.gz WKDUSYWLBDPQPF-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP Cc1c(F)nccc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000862284612 629338525 /nfs/dbraw/zinc/33/85/25/629338525.db2.gz LAXQHFGMSDLQMP-UHFFFAOYSA-N 2 1 281.419 3.128 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863483045 629586828 /nfs/dbraw/zinc/58/68/28/629586828.db2.gz PEJODLBIQGHUPU-IUODEOHRSA-N 2 1 278.827 3.145 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(C)(C)C ZINC000796770492 629829814 /nfs/dbraw/zinc/82/98/14/629829814.db2.gz DFVQFMNWXYHHEF-KBUPBQIOSA-N 2 1 252.446 3.131 20 0 CGADMP CC/C=C\CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178255 630153033 /nfs/dbraw/zinc/15/30/33/630153033.db2.gz JDVVBCVVCZOHHT-PLNGDYQASA-N 2 1 250.430 3.151 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)CC(C)(C)C ZINC000878645655 635586822 /nfs/dbraw/zinc/58/68/22/635586822.db2.gz ONORILKWTRVKJR-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)CC(C)(C)C ZINC000878645655 635586825 /nfs/dbraw/zinc/58/68/25/635586825.db2.gz ONORILKWTRVKJR-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC000878645655 635586829 /nfs/dbraw/zinc/58/68/29/635586829.db2.gz ONORILKWTRVKJR-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC000815147132 631729552 /nfs/dbraw/zinc/72/95/52/631729552.db2.gz XDQSLIHTVJOWGL-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(CF)cc3)C2)C1 ZINC000815147132 631729556 /nfs/dbraw/zinc/72/95/56/631729556.db2.gz XDQSLIHTVJOWGL-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(CF)cc3)C2)C1 ZINC000815147132 631729560 /nfs/dbraw/zinc/72/95/60/631729560.db2.gz XDQSLIHTVJOWGL-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815561943 631795732 /nfs/dbraw/zinc/79/57/32/631795732.db2.gz TVLXWVHLLYMRKK-CYBMUJFWSA-N 2 1 275.371 3.380 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000815578748 631799617 /nfs/dbraw/zinc/79/96/17/631799617.db2.gz VMYLHBMIFXIYDM-KGLIPLIRSA-N 2 1 264.388 3.127 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccncc1 ZINC000820811084 632681086 /nfs/dbraw/zinc/68/10/86/632681086.db2.gz KLNWWOZEPKLVOT-ONQFOCNCSA-N 2 1 285.435 3.280 20 0 CGADMP CC(C)CCc1nc(C[N@@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000844220910 635833413 /nfs/dbraw/zinc/83/34/13/635833413.db2.gz OUQLJMDGRPXKAJ-UHFFFAOYSA-N 2 1 295.496 3.433 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866258766 633048326 /nfs/dbraw/zinc/04/83/26/633048326.db2.gz AKJZUAMJIUMZST-HZPDHXFCSA-N 2 1 285.435 3.357 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc2c(ccnc2Cl)o1 ZINC000866364374 633102455 /nfs/dbraw/zinc/10/24/55/633102455.db2.gz NQNYZLSAEUIZLJ-WDEREUQCSA-N 2 1 295.814 3.330 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)CC(C)(C)C ZINC000866668704 633229928 /nfs/dbraw/zinc/22/99/28/633229928.db2.gz IQFOHYAZIMLFGE-HZMVEIRTSA-N 2 1 296.499 3.420 20 0 CGADMP C[C@]1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(Cl)Cl ZINC000824968171 633312385 /nfs/dbraw/zinc/31/23/85/633312385.db2.gz AYAHXBLFRFFKML-XQQFMLRXSA-N 2 1 291.266 3.177 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000872019267 633940145 /nfs/dbraw/zinc/94/01/45/633940145.db2.gz UMFFGFLQFDINOA-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)CC ZINC000872035446 633954214 /nfs/dbraw/zinc/95/42/14/633954214.db2.gz MNYUOFUJXJXJQI-JKSUJKDBSA-N 2 1 284.488 3.028 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872082278 634006860 /nfs/dbraw/zinc/00/68/60/634006860.db2.gz TXXDHGFFAPUDNX-CVEARBPZSA-N 2 1 284.488 3.148 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)[C@H]2CCC[C@H]21 ZINC000846185198 636155336 /nfs/dbraw/zinc/15/53/36/636155336.db2.gz QOKGMVXQSYWQNN-XLWJZTARSA-N 2 1 288.838 3.154 20 0 CGADMP CCC[N@H+](Cc1cc(C(F)(F)F)co1)C1CC[NH2+]CC1 ZINC000872141530 634064916 /nfs/dbraw/zinc/06/49/16/634064916.db2.gz KYBBDJCFHFXKOB-UHFFFAOYSA-N 2 1 290.329 3.262 20 0 CGADMP CCC[N@@H+](Cc1cc(C(F)(F)F)co1)C1CC[NH2+]CC1 ZINC000872141530 634064922 /nfs/dbraw/zinc/06/49/22/634064922.db2.gz KYBBDJCFHFXKOB-UHFFFAOYSA-N 2 1 290.329 3.262 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872275876 634097556 /nfs/dbraw/zinc/09/75/56/634097556.db2.gz LTWARJIAKHBXMB-FUHWJXTLSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872275876 634097563 /nfs/dbraw/zinc/09/75/63/634097563.db2.gz LTWARJIAKHBXMB-FUHWJXTLSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872275876 634097570 /nfs/dbraw/zinc/09/75/70/634097570.db2.gz LTWARJIAKHBXMB-FUHWJXTLSA-N 2 1 294.483 3.284 20 0 CGADMP c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872488686 634155389 /nfs/dbraw/zinc/15/53/89/634155389.db2.gz KVFZTEHKTKAXJY-MAUKXSAKSA-N 2 1 297.446 3.412 20 0 CGADMP c1c(C[N@H+]2CC[C@H](c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873203421 634284920 /nfs/dbraw/zinc/28/49/20/634284920.db2.gz ZGVLTPZWFIALFS-HNNXBMFYSA-N 2 1 298.455 3.383 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000019843421 634288860 /nfs/dbraw/zinc/28/88/60/634288860.db2.gz DSNZFWFKIJWLNN-CQSZACIVSA-N 2 1 254.377 3.011 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873224288 634291002 /nfs/dbraw/zinc/29/10/02/634291002.db2.gz ZVPINQXZIWXEMS-HNNXBMFYSA-N 2 1 266.454 3.253 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1)C1CCCC1 ZINC000873232674 634293806 /nfs/dbraw/zinc/29/38/06/634293806.db2.gz VPZFBRYKCAADMV-YQQAZPJKSA-N 2 1 296.524 3.359 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)nc1 ZINC000840809105 635055425 /nfs/dbraw/zinc/05/54/25/635055425.db2.gz OTRPUKXVXBNYEP-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CSC(C)(C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877518921 635068378 /nfs/dbraw/zinc/06/83/78/635068378.db2.gz VGEGTKCZPBHJJL-PBWFPOADSA-N 2 1 270.486 3.075 20 0 CGADMP CSC(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877518921 635068381 /nfs/dbraw/zinc/06/83/81/635068381.db2.gz VGEGTKCZPBHJJL-PBWFPOADSA-N 2 1 270.486 3.075 20 0 CGADMP CSC(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877518921 635068387 /nfs/dbraw/zinc/06/83/87/635068387.db2.gz VGEGTKCZPBHJJL-PBWFPOADSA-N 2 1 270.486 3.075 20 0 CGADMP CSC(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000877643230 635128772 /nfs/dbraw/zinc/12/87/72/635128772.db2.gz FJBGKMNSWREYNU-HNNXBMFYSA-N 2 1 284.513 3.230 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000877738120 635171182 /nfs/dbraw/zinc/17/11/82/635171182.db2.gz AASUPIIBQXUURY-ROUUACIJSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000877738120 635171187 /nfs/dbraw/zinc/17/11/87/635171187.db2.gz AASUPIIBQXUURY-ROUUACIJSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000877738120 635171191 /nfs/dbraw/zinc/17/11/91/635171191.db2.gz AASUPIIBQXUURY-ROUUACIJSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000877738120 635171197 /nfs/dbraw/zinc/17/11/97/635171197.db2.gz AASUPIIBQXUURY-ROUUACIJSA-N 2 1 270.420 3.090 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000842471959 635376299 /nfs/dbraw/zinc/37/62/99/635376299.db2.gz JDMUEHVSDGUBDD-KRWDZBQOSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000842471959 635376307 /nfs/dbraw/zinc/37/63/07/635376307.db2.gz JDMUEHVSDGUBDD-KRWDZBQOSA-N 2 1 294.414 3.108 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148008 635377941 /nfs/dbraw/zinc/37/79/41/635377941.db2.gz LKQHZYQSPHYHTP-HOTGVXAUSA-N 2 1 296.499 3.244 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC3CCC2CC3)s1 ZINC000842725052 635450591 /nfs/dbraw/zinc/45/05/91/635450591.db2.gz NYAOPZZHFSRFAT-JXQTWKCFSA-N 2 1 293.480 3.121 20 0 CGADMP CCCc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843054840 635551601 /nfs/dbraw/zinc/55/16/01/635551601.db2.gz KCEOXARISVMXNF-UHFFFAOYSA-N 2 1 260.425 3.341 20 0 CGADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843055840 635552961 /nfs/dbraw/zinc/55/29/61/635552961.db2.gz QEJYHSQMNGVMKZ-UHFFFAOYSA-N 2 1 298.434 3.087 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355475 635652753 /nfs/dbraw/zinc/65/27/53/635652753.db2.gz RDXWKUPQATXSIT-UHFFFAOYSA-N 2 1 299.418 3.352 20 0 CGADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)OC1CCCCCC1 ZINC000843362518 635653710 /nfs/dbraw/zinc/65/37/10/635653710.db2.gz AWHKCVNKFYCLIV-WMZOPIPTSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000880201194 635935305 /nfs/dbraw/zinc/93/53/05/635935305.db2.gz HOJHVTTYGYNVPF-NVXWUHKLSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000880201194 635935312 /nfs/dbraw/zinc/93/53/12/635935312.db2.gz HOJHVTTYGYNVPF-NVXWUHKLSA-N 2 1 296.499 3.292 20 0 CGADMP ClC1(Cl)C[C@H]1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000846109873 636145389 /nfs/dbraw/zinc/14/53/89/636145389.db2.gz JYXFWLCSZCJGSW-LLVKDONJSA-N 2 1 291.266 3.177 20 0 CGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCCCCC[NH3+] ZINC000846219495 636161930 /nfs/dbraw/zinc/16/19/30/636161930.db2.gz RTVRYHIGTZLHSR-GFCCVEGCSA-N 2 1 282.378 3.403 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CCCCCCC1 ZINC000846787229 636241242 /nfs/dbraw/zinc/24/12/42/636241242.db2.gz CBOMBQKZAYAECN-UHFFFAOYSA-N 2 1 263.429 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CCCCCCC1 ZINC000846787229 636241244 /nfs/dbraw/zinc/24/12/44/636241244.db2.gz CBOMBQKZAYAECN-UHFFFAOYSA-N 2 1 263.429 3.397 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCSC1 ZINC000131149833 636563249 /nfs/dbraw/zinc/56/32/49/636563249.db2.gz FLRYCCXEZWJMER-LSDHHAIUSA-N 2 1 270.486 3.126 20 0 CGADMP C([NH2+][C@@H]1CCCC2(CC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000883237718 636606431 /nfs/dbraw/zinc/60/64/31/636606431.db2.gz IPIAVJGLDHYHOS-IAGOWNOFSA-N 2 1 276.468 3.421 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)CC1(C)C ZINC000883264965 636635155 /nfs/dbraw/zinc/63/51/55/636635155.db2.gz OOIGEDFQRQTKKC-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000848987208 636706257 /nfs/dbraw/zinc/70/62/57/636706257.db2.gz MXFKJJNDARFJJC-HUUCEWRRSA-N 2 1 288.439 3.052 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000849073518 636738467 /nfs/dbraw/zinc/73/84/67/636738467.db2.gz ZGVJILKMXACQRB-LSDHHAIUSA-N 2 1 284.492 3.045 20 0 CGADMP c1ccc([C@@H]2CSCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000883411619 636747875 /nfs/dbraw/zinc/74/78/75/636747875.db2.gz CZEOCEKRNBEZLA-KRWDZBQOSA-N 2 1 290.476 3.166 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)O1 ZINC000883429464 636753243 /nfs/dbraw/zinc/75/32/43/636753243.db2.gz WKNQSMBXJOANLH-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2cc3ccccc3nc2Cl)C[C@@H]1[NH3+] ZINC000883441926 636757833 /nfs/dbraw/zinc/75/78/33/636757833.db2.gz ALTIXFCEWMEHRP-UONOGXRCSA-N 2 1 289.810 3.104 20 0 CGADMP C[C@H]([NH2+][C@H]1C=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850508550 637094967 /nfs/dbraw/zinc/09/49/67/637094967.db2.gz KFVHBNHKFZDYML-SZMVWBNQSA-N 2 1 270.420 3.205 20 0 CGADMP Fc1cccc(/C=C\C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000885911601 637311007 /nfs/dbraw/zinc/31/10/07/637311007.db2.gz ZNKNJIXLXXHDRZ-RQOWECAXSA-N 2 1 274.383 3.055 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886522597 637551105 /nfs/dbraw/zinc/55/11/05/637551105.db2.gz MVGMADLWSRJBLL-WWDZGPRUSA-N 3 1 295.515 3.103 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)[nH+]c1C ZINC000886662936 637639799 /nfs/dbraw/zinc/63/97/99/637639799.db2.gz PSNNOWRXFZTWIB-HNNXBMFYSA-N 2 1 291.439 3.164 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000886719752 637671089 /nfs/dbraw/zinc/67/10/89/637671089.db2.gz GSJWSEAMBIADCU-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000886719828 637671532 /nfs/dbraw/zinc/67/15/32/637671532.db2.gz IZGSGUKZPRBDOU-MRXNPFEDSA-N 2 1 292.467 3.038 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)[C@@H]1CCC[NH3+] ZINC000886841627 637714207 /nfs/dbraw/zinc/71/42/07/637714207.db2.gz RBBQRKFJMPDPKJ-BRWVUGGUSA-N 2 1 294.483 3.175 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000886858148 637715052 /nfs/dbraw/zinc/71/50/52/637715052.db2.gz OTFUOFOZQKKWNZ-INMHGKMJSA-N 2 1 258.409 3.069 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H]1CCCC[C@@H]1CCCO)C(C)C ZINC000924557327 638362214 /nfs/dbraw/zinc/36/22/14/638362214.db2.gz SJTWBFMLKPDIBO-SJORKVTESA-N 2 1 284.488 3.026 20 0 CGADMP CC[C@@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925475315 638507710 /nfs/dbraw/zinc/50/77/10/638507710.db2.gz LVVOVAIFNSJOGI-DQIHPLBOSA-N 2 1 282.472 3.043 20 0 CGADMP FC(F)(F)c1ccccc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925491258 638511141 /nfs/dbraw/zinc/51/11/41/638511141.db2.gz DQRAJAQVEJEGNS-CQSZACIVSA-N 2 1 298.352 3.122 20 0 CGADMP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925530133 638520401 /nfs/dbraw/zinc/52/04/01/638520401.db2.gz JXOKAOKMOTZFAO-KRWDZBQOSA-N 2 1 295.430 3.042 20 0 CGADMP c1ccc(C2CC([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925604351 638543876 /nfs/dbraw/zinc/54/38/76/638543876.db2.gz JUSXMMUYJGJEQT-JCYILVPMSA-N 2 1 270.420 3.197 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925622240 638547216 /nfs/dbraw/zinc/54/72/16/638547216.db2.gz MNRHPVDULVCNKN-AGERRDQYSA-N 2 1 290.451 3.401 20 0 CGADMP CSCCCCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925643966 638555186 /nfs/dbraw/zinc/55/51/86/638555186.db2.gz MGNJPEDQXXZPPZ-ZFWWWQNUSA-N 2 1 266.454 3.198 20 0 CGADMP c1c2ccccc2sc1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925675393 638565911 /nfs/dbraw/zinc/56/59/11/638565911.db2.gz FFADZPPFUXSHBN-CSAOUQSSSA-N 2 1 298.455 3.030 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC(C)(C)CC(F)F)c1ccccc1 ZINC000925734319 638587105 /nfs/dbraw/zinc/58/71/05/638587105.db2.gz QLVJPXQNHFJVDD-RISCZKNCSA-N 2 1 270.367 3.346 20 0 CGADMP CCC(CC)(C[NH2+][C@H]1CC[NH2+]C12CCC2)C(F)(F)F ZINC000925735798 638589334 /nfs/dbraw/zinc/58/93/34/638589334.db2.gz XWPYUNDJUFUALL-NSHDSACASA-N 2 1 278.362 3.229 20 0 CGADMP c1cnc2ccc(CC[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000925810414 638620118 /nfs/dbraw/zinc/62/01/18/638620118.db2.gz AEEGRNFNYQFHGF-GOSISDBHSA-N 2 1 295.430 3.042 20 0 CGADMP Cc1ccc(OC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858115792 638635406 /nfs/dbraw/zinc/63/54/06/638635406.db2.gz LZHHQJAMAKRKHG-HOTGVXAUSA-N 2 1 290.451 3.225 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1(C)C ZINC000858162172 638647370 /nfs/dbraw/zinc/64/73/70/638647370.db2.gz RBHOSNHGXPEUJC-HOTGVXAUSA-N 2 1 292.854 3.270 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(OC)n1 ZINC000926558404 638785190 /nfs/dbraw/zinc/78/51/90/638785190.db2.gz IEFBAPLDCSNFIP-HNNXBMFYSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000926897270 638822690 /nfs/dbraw/zinc/82/26/90/638822690.db2.gz HEGCTHZODXBNMS-UMVBOHGHSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926897270 638822691 /nfs/dbraw/zinc/82/26/91/638822691.db2.gz HEGCTHZODXBNMS-UMVBOHGHSA-N 2 1 264.388 3.267 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000927035104 638834169 /nfs/dbraw/zinc/83/41/69/638834169.db2.gz FHDPJQALRABCBA-UGUYLWEFSA-N 2 1 294.508 3.267 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000929747548 638946664 /nfs/dbraw/zinc/94/66/64/638946664.db2.gz FNTSKXXJVHBIIQ-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000929747548 638946665 /nfs/dbraw/zinc/94/66/65/638946665.db2.gz FNTSKXXJVHBIIQ-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929778728 638949831 /nfs/dbraw/zinc/94/98/31/638949831.db2.gz VDZPNJXRPDWWMU-KRWDZBQOSA-N 2 1 294.483 3.284 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2C)C[C@H]1C ZINC000929779109 638950171 /nfs/dbraw/zinc/95/01/71/638950171.db2.gz DMOPAIVAACOLEF-RHSMWYFYSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2C)C[C@H]1C ZINC000929779109 638950175 /nfs/dbraw/zinc/95/01/75/638950175.db2.gz DMOPAIVAACOLEF-RHSMWYFYSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2C)C[C@H]1C ZINC000929779109 638950177 /nfs/dbraw/zinc/95/01/77/638950177.db2.gz DMOPAIVAACOLEF-RHSMWYFYSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2CF)C[C@@H]1C ZINC000929783221 638950963 /nfs/dbraw/zinc/95/09/63/638950963.db2.gz ZDGDVTKWCCJMLV-YOEHRIQHSA-N 2 1 278.415 3.461 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2CF)C[C@@H]1C ZINC000929783221 638950964 /nfs/dbraw/zinc/95/09/64/638950964.db2.gz ZDGDVTKWCCJMLV-YOEHRIQHSA-N 2 1 278.415 3.461 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2CF)C[C@@H]1C ZINC000929783221 638950965 /nfs/dbraw/zinc/95/09/65/638950965.db2.gz ZDGDVTKWCCJMLV-YOEHRIQHSA-N 2 1 278.415 3.461 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC3(CCC3)O2)[C@H](C)C1 ZINC000929998714 638967368 /nfs/dbraw/zinc/96/73/68/638967368.db2.gz GAIZRSOALHZWBK-IKGGRYGDSA-N 2 1 294.483 3.140 20 0 CGADMP C1=C[C@@H]([NH+]2CCC([N@@H+]3CCCOCC3)CC2)CCCCC1 ZINC000931288251 639130771 /nfs/dbraw/zinc/13/07/71/639130771.db2.gz ZKISHMZVXBGOOZ-QGZVFWFLSA-N 2 1 292.467 3.062 20 0 CGADMP C1=C[C@@H]([NH+]2CCC([N@H+]3CCCOCC3)CC2)CCCCC1 ZINC000931288251 639130774 /nfs/dbraw/zinc/13/07/74/639130774.db2.gz ZKISHMZVXBGOOZ-QGZVFWFLSA-N 2 1 292.467 3.062 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CCC3=CCCCC3)C[C@@]2(C)C1 ZINC000931313234 639133095 /nfs/dbraw/zinc/13/30/95/639133095.db2.gz ACBKZSYDWNULES-IAGOWNOFSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927782 639255421 /nfs/dbraw/zinc/25/54/21/639255421.db2.gz SOSDESZLKBBPMC-CADBVGFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927782 639255422 /nfs/dbraw/zinc/25/54/22/639255422.db2.gz SOSDESZLKBBPMC-CADBVGFASA-N 2 1 284.447 3.206 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CC[C@H](OC)C1 ZINC000859996352 639264860 /nfs/dbraw/zinc/26/48/60/639264860.db2.gz ATHKAEXNIKGMJW-MSOLQXFVSA-N 2 1 290.451 3.138 20 0 CGADMP C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251418688 640826236 /nfs/dbraw/zinc/82/62/36/640826236.db2.gz RXWGIDRUQADWFZ-QPBSCJPLSA-N 2 1 262.441 3.172 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252439297 640844913 /nfs/dbraw/zinc/84/49/13/640844913.db2.gz MSTNOWUWGQJTMQ-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2cccc(C3CC3)n2)C1 ZINC001156386151 805681771 /nfs/dbraw/zinc/68/17/71/805681771.db2.gz POLGBFXNBHAGKG-CYBMUJFWSA-N 2 1 259.397 3.103 20 0 CGADMP C[N@@H+]1CCC[C@H](CCNc2cccc(C3CC3)[nH+]2)C1 ZINC001156386151 805681775 /nfs/dbraw/zinc/68/17/75/805681775.db2.gz POLGBFXNBHAGKG-CYBMUJFWSA-N 2 1 259.397 3.103 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2cccc(C3CC3)[nH+]2)C1 ZINC001156386151 805681781 /nfs/dbraw/zinc/68/17/81/805681781.db2.gz POLGBFXNBHAGKG-CYBMUJFWSA-N 2 1 259.397 3.103 20 0 CGADMP CCc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC001158264921 805931151 /nfs/dbraw/zinc/93/11/51/805931151.db2.gz LENZLHNQSAAKFB-SUMWQHHRSA-N 2 1 290.455 3.303 20 0 CGADMP COc1ccc2c[nH+]c(NC(C)(C)CC[NH+](C)C)cc2c1 ZINC001158760685 806000040 /nfs/dbraw/zinc/00/00/40/806000040.db2.gz JMIZUQRHLSFEFM-UHFFFAOYSA-N 2 1 287.407 3.386 20 0 CGADMP Cc1ccc2c(C)cc(N3CCC4(C[NH2+]C4)CC3)[nH+]c2c1C ZINC001159050193 806036656 /nfs/dbraw/zinc/03/66/56/806036656.db2.gz VUFOTQWRXTXFFK-UHFFFAOYSA-N 2 1 295.430 3.350 20 0 CGADMP Cc1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)c[nH+]c1N ZINC001159601436 806128862 /nfs/dbraw/zinc/12/88/62/806128862.db2.gz ZRAKZYBYAHSMSV-UHFFFAOYSA-N 2 1 282.391 3.183 20 0 CGADMP c1ccc2c(c1)CCC([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001254464842 806411060 /nfs/dbraw/zinc/41/10/60/806411060.db2.gz OXSASVWJSBBYJT-UHFFFAOYSA-N 2 1 284.447 3.104 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1C ZINC001254513548 806435110 /nfs/dbraw/zinc/43/51/10/806435110.db2.gz DCXPREJNRKNUDQ-CVEARBPZSA-N 2 1 260.425 3.438 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522396 806438350 /nfs/dbraw/zinc/43/83/50/806438350.db2.gz FQUVCICXJXXQOG-YOEHRIQHSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522396 806438358 /nfs/dbraw/zinc/43/83/58/806438358.db2.gz FQUVCICXJXXQOG-YOEHRIQHSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522396 806438360 /nfs/dbraw/zinc/43/83/60/806438360.db2.gz FQUVCICXJXXQOG-YOEHRIQHSA-N 2 1 276.399 3.447 20 0 CGADMP C[N@H+]1CCC[C@H](N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001254526799 806442395 /nfs/dbraw/zinc/44/23/95/806442395.db2.gz URQYEYRHOGNRLY-JYJNAYRXSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001254526799 806442408 /nfs/dbraw/zinc/44/24/08/806442408.db2.gz URQYEYRHOGNRLY-JYJNAYRXSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001254526799 806442412 /nfs/dbraw/zinc/44/24/12/806442412.db2.gz URQYEYRHOGNRLY-JYJNAYRXSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@@H+]([C@H]1CCc2ccccc21)[C@H]1CCC[NH+](C)CC1 ZINC001254531126 806445172 /nfs/dbraw/zinc/44/51/72/806445172.db2.gz DRHCUAJVENVLOF-RDJZCZTQSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+]([C@H]1CCc2ccccc21)[C@H]1CCC[N@H+](C)CC1 ZINC001254531126 806445177 /nfs/dbraw/zinc/44/51/77/806445177.db2.gz DRHCUAJVENVLOF-RDJZCZTQSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+]([C@H]1CCc2ccccc21)[C@H]1CCC[N@@H+](C)CC1 ZINC001254531126 806445180 /nfs/dbraw/zinc/44/51/80/806445180.db2.gz DRHCUAJVENVLOF-RDJZCZTQSA-N 2 1 258.409 3.090 20 0 CGADMP C1=CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136229 806551532 /nfs/dbraw/zinc/55/15/32/806551532.db2.gz JKXOJSMOXSNZAP-PIIMJCKOSA-N 2 1 268.404 3.054 20 0 CGADMP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC001162391210 806573065 /nfs/dbraw/zinc/57/30/65/806573065.db2.gz ANECKUUDAJRAPR-NEPJUHHUSA-N 2 1 284.407 3.124 20 0 CGADMP C[N@@H+]([C@@H]1CCSC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001255296700 806598758 /nfs/dbraw/zinc/59/87/58/806598758.db2.gz VEUZULBFUGNTLW-MRXNPFEDSA-N 2 1 282.497 3.221 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCC3CC3)CC2)cc1 ZINC001255385534 806630194 /nfs/dbraw/zinc/63/01/94/806630194.db2.gz IHTSILJRFSNSEX-GOSISDBHSA-N 2 1 272.436 3.431 20 0 CGADMP CCCOCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255387625 806630364 /nfs/dbraw/zinc/63/03/64/806630364.db2.gz UONRKDULFJGODX-GOSISDBHSA-N 2 1 290.451 3.057 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cnc1Cl ZINC001255668922 806700564 /nfs/dbraw/zinc/70/05/64/806700564.db2.gz PFLSRSQEEKXYAL-GOOCMWNKSA-N 2 1 293.842 3.148 20 0 CGADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001255681540 806704119 /nfs/dbraw/zinc/70/41/19/806704119.db2.gz WRXDMJCKWKYFTL-AFLMIKJESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001255681540 806704122 /nfs/dbraw/zinc/70/41/22/806704122.db2.gz WRXDMJCKWKYFTL-AFLMIKJESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC001255681540 806704124 /nfs/dbraw/zinc/70/41/24/806704124.db2.gz WRXDMJCKWKYFTL-AFLMIKJESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC001255681540 806704127 /nfs/dbraw/zinc/70/41/27/806704127.db2.gz WRXDMJCKWKYFTL-AFLMIKJESA-N 2 1 250.430 3.122 20 0 CGADMP C[N@H+](Cc1ccccc1F)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680258 806704163 /nfs/dbraw/zinc/70/41/63/806704163.db2.gz KZBNSPBMYGHPAR-XYPWUTKMSA-N 2 1 276.399 3.273 20 0 CGADMP C[N@@H+](Cc1ccccc1F)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680258 806704166 /nfs/dbraw/zinc/70/41/66/806704166.db2.gz KZBNSPBMYGHPAR-XYPWUTKMSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccccc1F)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680258 806704169 /nfs/dbraw/zinc/70/41/69/806704169.db2.gz KZBNSPBMYGHPAR-XYPWUTKMSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccccc1F)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680258 806704172 /nfs/dbraw/zinc/70/41/72/806704172.db2.gz KZBNSPBMYGHPAR-XYPWUTKMSA-N 2 1 276.399 3.273 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001255737565 806726806 /nfs/dbraw/zinc/72/68/06/806726806.db2.gz IWKPLFGHVCMESV-GFCCVEGCSA-N 2 1 293.411 3.267 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC001255722013 806720751 /nfs/dbraw/zinc/72/07/51/806720751.db2.gz VPZYJDMOWZKWSM-MCIONIFRSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC001255722013 806720755 /nfs/dbraw/zinc/72/07/55/806720755.db2.gz VPZYJDMOWZKWSM-MCIONIFRSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC001255722013 806720758 /nfs/dbraw/zinc/72/07/58/806720758.db2.gz VPZYJDMOWZKWSM-MCIONIFRSA-N 2 1 290.373 3.135 20 0 CGADMP Cc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)cc(C)[nH+]1 ZINC000311442884 799224578 /nfs/dbraw/zinc/22/45/78/799224578.db2.gz JLRPFRFOPYCJGK-HNNXBMFYSA-N 2 1 261.413 3.375 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000311634351 799224839 /nfs/dbraw/zinc/22/48/39/799224839.db2.gz PTSQIERPNZEACM-BWAJOPIQSA-N 2 1 262.441 3.014 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000312754141 799228346 /nfs/dbraw/zinc/22/83/46/799228346.db2.gz WNRLJFQABOARTF-HNNXBMFYSA-N 2 1 268.404 3.401 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+](C)CCC[NH+](C)C ZINC001255739820 806730889 /nfs/dbraw/zinc/73/08/89/806730889.db2.gz LUHPSHXGGVHBFE-CYBMUJFWSA-N 2 1 284.444 3.190 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+](C)CCC[NH+](C)C ZINC001255739820 806730896 /nfs/dbraw/zinc/73/08/96/806730896.db2.gz LUHPSHXGGVHBFE-CYBMUJFWSA-N 2 1 284.444 3.190 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+](C)CCC[NH+](C)C)cc1 ZINC001255761760 806739004 /nfs/dbraw/zinc/73/90/04/806739004.db2.gz RLLLBQXBWKAXLX-HNNXBMFYSA-N 2 1 280.481 3.359 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001255761760 806739005 /nfs/dbraw/zinc/73/90/05/806739005.db2.gz RLLLBQXBWKAXLX-HNNXBMFYSA-N 2 1 280.481 3.359 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379648095 799350821 /nfs/dbraw/zinc/35/08/21/799350821.db2.gz LYFUBOOFRIXONP-VUNQMSRZSA-N 2 1 278.827 3.382 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CC[N@H+]1Cc1ccccc1 ZINC000379648095 799350827 /nfs/dbraw/zinc/35/08/27/799350827.db2.gz LYFUBOOFRIXONP-VUNQMSRZSA-N 2 1 278.827 3.382 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000381951868 799390909 /nfs/dbraw/zinc/39/09/09/799390909.db2.gz CWVRRDKVHOXYDA-RDHHWEPZSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC([NH+]2CCC3(CCCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000385458429 799426449 /nfs/dbraw/zinc/42/64/49/799426449.db2.gz GKHNKERHQJNMCR-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2[nH+]ccc3[nH]ccc32)[C@H](C)C1 ZINC001163362940 806747655 /nfs/dbraw/zinc/74/76/55/806747655.db2.gz OTLCKTVFCHPODL-OCCSQVGLSA-N 2 1 272.396 3.094 20 0 CGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000388226220 799452102 /nfs/dbraw/zinc/45/21/02/799452102.db2.gz IOFSUJVRETWTMW-OAHLLOKOSA-N 2 1 298.430 3.217 20 0 CGADMP CN(Cc1cccc2c1NCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394114844 799494227 /nfs/dbraw/zinc/49/42/27/799494227.db2.gz AFZULELXCNRJNS-JWTNVVGKSA-N 2 1 299.462 3.102 20 0 CGADMP C[N@H+](Cc1cccc2c1NCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394114844 799494230 /nfs/dbraw/zinc/49/42/30/799494230.db2.gz AFZULELXCNRJNS-JWTNVVGKSA-N 2 1 299.462 3.102 20 0 CGADMP C[N@@H+](Cc1cccc2c1NCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394114844 799494233 /nfs/dbraw/zinc/49/42/33/799494233.db2.gz AFZULELXCNRJNS-JWTNVVGKSA-N 2 1 299.462 3.102 20 0 CGADMP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[NH+]1CCCC1 ZINC000403696242 799570257 /nfs/dbraw/zinc/57/02/57/799570257.db2.gz ZRRMXOHYBSKXCX-UYTSQGDYSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCc2ccccc21 ZINC000404796197 799579133 /nfs/dbraw/zinc/57/91/33/799579133.db2.gz SWOYAMPWUPMDFE-HNNXBMFYSA-N 2 1 260.425 3.167 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cc2ccccc2o1 ZINC000405236388 799582852 /nfs/dbraw/zinc/58/28/52/799582852.db2.gz DVZJCESYDMYIGS-UVBJJODRSA-N 2 1 270.376 3.353 20 0 CGADMP C(C[N@H+]1CCC[C@H]1C1CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000688268781 799746213 /nfs/dbraw/zinc/74/62/13/799746213.db2.gz HWDIIBREFXGCLE-YQAQFAQXSA-N 2 1 262.441 3.172 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000690753078 799778790 /nfs/dbraw/zinc/77/87/90/799778790.db2.gz CDAHGYOHBZIXGN-AWEZNQCLSA-N 2 1 254.377 3.011 20 0 CGADMP C[N@@H+](CC1CCC2(CC2)CC1)C1CCC([NH3+])CC1 ZINC000695642575 799831615 /nfs/dbraw/zinc/83/16/15/799831615.db2.gz VPHHEVLQBNOUKV-UHFFFAOYSA-N 2 1 250.430 3.159 20 0 CGADMP CC(C)[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699226131 799857520 /nfs/dbraw/zinc/85/75/20/799857520.db2.gz KRKNORCPADXJOZ-UYTSQGDYSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000700822393 799881070 /nfs/dbraw/zinc/88/10/70/799881070.db2.gz FPAGVORWRFCNAT-IYXRBSQSSA-N 2 1 292.389 3.429 20 0 CGADMP CS[C@@H]1CCCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000707311477 799977125 /nfs/dbraw/zinc/97/71/25/799977125.db2.gz WMFAWVNJOPYCOW-MRXNPFEDSA-N 2 1 290.476 3.050 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](COC)c1ccccc1 ZINC001255949866 806793726 /nfs/dbraw/zinc/79/37/26/806793726.db2.gz BYGVZEZPFOXNOO-RDJZCZTQSA-N 2 1 278.440 3.084 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)C[C@H](C)[NH2+]1 ZINC000708851598 799998025 /nfs/dbraw/zinc/99/80/25/799998025.db2.gz VMHMTPNFGJLNPA-FSDCSDTHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@@H](C3CCCCC3)C2)C[C@@H](C)[NH2+]1 ZINC000708851599 799998439 /nfs/dbraw/zinc/99/84/39/799998439.db2.gz VMHMTPNFGJLNPA-IIAWOOMASA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@]12C[C@@H]1CCCC2 ZINC000709153522 800004502 /nfs/dbraw/zinc/00/45/02/800004502.db2.gz IGISFUXJGZKTPN-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@]12C[C@@H]1CCCC2 ZINC000709153522 800004506 /nfs/dbraw/zinc/00/45/06/800004506.db2.gz IGISFUXJGZKTPN-IBEHDNSVSA-N 2 1 250.430 3.028 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC001255953744 806796631 /nfs/dbraw/zinc/79/66/31/806796631.db2.gz NTVXCUGBZXEPPY-CXAGYDPISA-N 2 1 293.430 3.382 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ccnc(F)c1)C1CC1 ZINC001255953734 806797304 /nfs/dbraw/zinc/79/73/04/806797304.db2.gz NJWYDSBXRONNTM-GUYCJALGSA-N 2 1 293.430 3.382 20 0 CGADMP CC[C@]1(C)CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710909674 800041879 /nfs/dbraw/zinc/04/18/79/800041879.db2.gz ZZEXAIACTDDYSH-OAHLLOKOSA-N 2 1 264.438 3.016 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001255957344 806798441 /nfs/dbraw/zinc/79/84/41/806798441.db2.gz QPSYOCKECXNBPG-QWHCGFSZSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001255957344 806798444 /nfs/dbraw/zinc/79/84/44/806798444.db2.gz QPSYOCKECXNBPG-QWHCGFSZSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001255957674 806799769 /nfs/dbraw/zinc/79/97/69/806799769.db2.gz UJQOOCQULRGRMT-ZDUSSCGKSA-N 2 1 276.415 3.474 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2ccsc2C1 ZINC000712268206 800082641 /nfs/dbraw/zinc/08/26/41/800082641.db2.gz SHIBKFJWLOKOHG-UHFFFAOYSA-N 2 1 252.427 3.015 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000714314599 800119334 /nfs/dbraw/zinc/11/93/34/800119334.db2.gz ITNQORIRPYUFCX-LUKYLMHMSA-N 2 1 264.457 3.419 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)CC1)[NH+](C)C ZINC000718753647 800221602 /nfs/dbraw/zinc/22/16/02/800221602.db2.gz PEQOBJFDWDVCPG-ZACQAIPSSA-N 2 1 284.488 3.290 20 0 CGADMP Fc1ccc([C@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080523 806815378 /nfs/dbraw/zinc/81/53/78/806815378.db2.gz YPEUMSDLTASXLE-HNNXBMFYSA-N 2 1 288.410 3.242 20 0 CGADMP Fc1ccc([C@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080523 806815387 /nfs/dbraw/zinc/81/53/87/806815387.db2.gz YPEUMSDLTASXLE-HNNXBMFYSA-N 2 1 288.410 3.242 20 0 CGADMP C1CC1[NH+]1CCC([NH+]2CCCCCCCC2)CC1 ZINC001256081511 806817440 /nfs/dbraw/zinc/81/74/40/806817440.db2.gz HYNIHPGFFULPCG-UHFFFAOYSA-N 2 1 250.430 3.269 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H]1C ZINC000721500316 800290034 /nfs/dbraw/zinc/29/00/34/800290034.db2.gz DNQSAROKAPTPRH-BODMPHMZSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H]1C ZINC000721500316 800290039 /nfs/dbraw/zinc/29/00/39/800290039.db2.gz DNQSAROKAPTPRH-BODMPHMZSA-N 2 1 272.436 3.197 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CCCC1 ZINC000721620387 800298414 /nfs/dbraw/zinc/29/84/14/800298414.db2.gz QCENQZKIXAIWCW-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c(C)c1 ZINC000723694789 800338684 /nfs/dbraw/zinc/33/86/84/800338684.db2.gz IJKXOBZULREFEH-CVEARBPZSA-N 2 1 260.425 3.344 20 0 CGADMP CSCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000725124927 800374229 /nfs/dbraw/zinc/37/42/29/800374229.db2.gz XUDIXJXSSRQACE-INIZCTEOSA-N 2 1 290.476 3.124 20 0 CGADMP CC(C)(F)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886644924 800547185 /nfs/dbraw/zinc/54/71/85/800547185.db2.gz NYEGCQHTZBJXGP-ULQDDVLXSA-N 2 1 290.426 3.377 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccc(F)cc2)CC1 ZINC001256198908 806846526 /nfs/dbraw/zinc/84/65/26/806846526.db2.gz BZVKYAXWVJFIAN-QGZVFWFLSA-N 2 1 276.399 3.351 20 0 CGADMP Cc1ccc(Cl)c(CC[NH2+]C2CC[NH+](C)CC2)c1F ZINC001256198635 806847066 /nfs/dbraw/zinc/84/70/66/806847066.db2.gz QRQFVGVNEQMFIK-UHFFFAOYSA-N 2 1 284.806 3.014 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001256396882 806881637 /nfs/dbraw/zinc/88/16/37/806881637.db2.gz LXEGMRXVLHHZCW-QFBILLFUSA-N 2 1 297.446 3.295 20 0 CGADMP CCOC1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256433009 806897305 /nfs/dbraw/zinc/89/73/05/806897305.db2.gz CZQFDWDXYAQBEL-OJHJNGDYSA-N 2 1 282.472 3.314 20 0 CGADMP CC(C)[N@@H+](C1CCN(C)CC1)C1CCN(C(C)(C)C)CC1 ZINC001256577178 806921363 /nfs/dbraw/zinc/92/13/63/806921363.db2.gz FIHZCUOWTREBLG-UHFFFAOYSA-N 2 1 295.515 3.054 20 0 CGADMP CC(C)[N@H+](C1CCN(C)CC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577178 806921368 /nfs/dbraw/zinc/92/13/68/806921368.db2.gz FIHZCUOWTREBLG-UHFFFAOYSA-N 2 1 295.515 3.054 20 0 CGADMP CC(C)[N@@H+](C1CCN(C)CC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577178 806921374 /nfs/dbraw/zinc/92/13/74/806921374.db2.gz FIHZCUOWTREBLG-UHFFFAOYSA-N 2 1 295.515 3.054 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001256620664 806928585 /nfs/dbraw/zinc/92/85/85/806928585.db2.gz CEXZWWOEVBQRMP-MMNRESRNSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001256632274 806933411 /nfs/dbraw/zinc/93/34/11/806933411.db2.gz ZTALKBLBDGELMO-OAHLLOKOSA-N 2 1 271.408 3.111 20 0 CGADMP Cc1ccc2cc[nH+]c(N3C[C@@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001164462798 806951277 /nfs/dbraw/zinc/95/12/77/806951277.db2.gz ULFHOXJHYKEXEB-ZIAGYGMSSA-N 2 1 269.392 3.107 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256791430 806978170 /nfs/dbraw/zinc/97/81/70/806978170.db2.gz ZTXOAWFQKUCIPD-FOIPXRHGSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)[C@@H]1C ZINC001116521176 802369797 /nfs/dbraw/zinc/36/97/97/802369797.db2.gz IGDQTPXWMHHCDO-IBEHDNSVSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@@H](C)C[N@@H+](C)C(C)C ZINC001117647376 802474381 /nfs/dbraw/zinc/47/43/81/802474381.db2.gz CFWADKPSSDDIQG-AWEZNQCLSA-N 2 1 271.408 3.106 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)c(C)cc1OC ZINC001278022707 809112075 /nfs/dbraw/zinc/11/20/75/809112075.db2.gz ZMZJTSCIMGMBQE-ALOPSCKCSA-N 2 1 288.435 3.027 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c(C)cc1OC ZINC001278022707 809112079 /nfs/dbraw/zinc/11/20/79/809112079.db2.gz ZMZJTSCIMGMBQE-ALOPSCKCSA-N 2 1 288.435 3.027 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC001119623573 802686028 /nfs/dbraw/zinc/68/60/28/802686028.db2.gz IZPASPIKNQLSMS-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC001119623573 802686030 /nfs/dbraw/zinc/68/60/30/802686030.db2.gz IZPASPIKNQLSMS-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP CC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001119700188 802692821 /nfs/dbraw/zinc/69/28/21/802692821.db2.gz DBJFUEALGCXRGO-DOTOQJQBSA-N 2 1 270.420 3.497 20 0 CGADMP CC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001119700188 802692823 /nfs/dbraw/zinc/69/28/23/802692823.db2.gz DBJFUEALGCXRGO-DOTOQJQBSA-N 2 1 270.420 3.497 20 0 CGADMP CCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001120496622 802746714 /nfs/dbraw/zinc/74/67/14/802746714.db2.gz GLUCZQXXIKKDHB-HOTGVXAUSA-N 2 1 284.488 3.028 20 0 CGADMP CCC1CCC([NH+]2CCC([NH3+])(c3cccnc3)CC2)CC1 ZINC001256869417 806995301 /nfs/dbraw/zinc/99/53/01/806995301.db2.gz HRLABDDGHDAUMD-UHFFFAOYSA-N 2 1 287.451 3.300 20 0 CGADMP [NH3+]Cc1nc2ccccc2n1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894888 807000700 /nfs/dbraw/zinc/00/07/00/807000700.db2.gz NQUFXKONCINDHE-HNNXBMFYSA-N 2 1 298.434 3.075 20 0 CGADMP [NH3+]Cc1nn([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256901369 807003548 /nfs/dbraw/zinc/00/35/48/807003548.db2.gz VWNDJOTWUASJER-HNNXBMFYSA-N 2 1 298.434 3.075 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C[C@@H]1C[NH3+] ZINC001205306682 812945293 /nfs/dbraw/zinc/94/52/93/812945293.db2.gz YVIIIZPDLQEWME-YPMHNXCESA-N 2 1 291.826 3.238 20 0 CGADMP C[N@H+]1CCCC[C@@H]1c1ccc(/C=C/C2CC[NH2+]CC2)nc1 ZINC001243895005 803065051 /nfs/dbraw/zinc/06/50/51/803065051.db2.gz VBDCTVXNGLEYDC-SUQGKYDKSA-N 2 1 285.435 3.251 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(F)c1 ZINC001206808795 813443307 /nfs/dbraw/zinc/44/33/07/813443307.db2.gz KMCWGABSKYVATN-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(F)c1 ZINC001206808795 813443314 /nfs/dbraw/zinc/44/33/14/813443314.db2.gz KMCWGABSKYVATN-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Cl ZINC001206810587 813443922 /nfs/dbraw/zinc/44/39/22/813443922.db2.gz ORTPLNXYFJLCQJ-TZMCWYRMSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Cl ZINC001206810587 813443925 /nfs/dbraw/zinc/44/39/25/813443925.db2.gz ORTPLNXYFJLCQJ-TZMCWYRMSA-N 2 1 280.843 3.462 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(C)(C)C ZINC001206809593 813443972 /nfs/dbraw/zinc/44/39/72/813443972.db2.gz LYPDGWDHWUJAIC-CABCVRRESA-N 2 1 290.451 3.423 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@H]4[C@H](C3)CCCN4C)c[nH]c2c1 ZINC001136976180 803666102 /nfs/dbraw/zinc/66/61/02/803666102.db2.gz ZLYNQCODODYIQC-KSSFIOAISA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccc2c(CN3C[C@H]4[C@H](C3)CCC[N@H+]4C)c[nH]c2c1 ZINC001136976180 803666103 /nfs/dbraw/zinc/66/61/03/803666103.db2.gz ZLYNQCODODYIQC-KSSFIOAISA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccc2c(CN3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c[nH]c2c1 ZINC001136976180 803666105 /nfs/dbraw/zinc/66/61/05/803666105.db2.gz ZLYNQCODODYIQC-KSSFIOAISA-N 2 1 283.419 3.002 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC001138113788 803859157 /nfs/dbraw/zinc/85/91/57/803859157.db2.gz STMGQNQCXFLMPN-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC001138113788 803859166 /nfs/dbraw/zinc/85/91/66/803859166.db2.gz STMGQNQCXFLMPN-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC001138113788 803859176 /nfs/dbraw/zinc/85/91/76/803859176.db2.gz STMGQNQCXFLMPN-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC001138113788 803859182 /nfs/dbraw/zinc/85/91/82/803859182.db2.gz STMGQNQCXFLMPN-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC23CC3)cc1 ZINC001138543651 803963166 /nfs/dbraw/zinc/96/31/66/803963166.db2.gz SSQJQKWOTHBSMD-UHFFFAOYSA-N 2 1 267.376 3.309 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC23CC3)cc1 ZINC001138543651 803963175 /nfs/dbraw/zinc/96/31/75/803963175.db2.gz SSQJQKWOTHBSMD-UHFFFAOYSA-N 2 1 267.376 3.309 20 0 CGADMP CC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138551236 803966796 /nfs/dbraw/zinc/96/67/96/803966796.db2.gz AAAAWFAEWKAPAP-OAHLLOKOSA-N 2 1 269.392 3.413 20 0 CGADMP CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138551236 803966800 /nfs/dbraw/zinc/96/68/00/803966800.db2.gz AAAAWFAEWKAPAP-OAHLLOKOSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3CC(C3)C2)cc1 ZINC001138550544 803967098 /nfs/dbraw/zinc/96/70/98/803967098.db2.gz WRRXOCIQPRHVQF-UHFFFAOYSA-N 2 1 267.376 3.023 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCCO2 ZINC001138717065 804013077 /nfs/dbraw/zinc/01/30/77/804013077.db2.gz GEPMDCWWVLQRRR-UHFFFAOYSA-N 2 1 290.451 3.175 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246072000 804109976 /nfs/dbraw/zinc/10/99/76/804109976.db2.gz NMRBQCZFLHJTGW-MUJYYYPQSA-N 2 1 264.388 3.225 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246072022 804110846 /nfs/dbraw/zinc/11/08/46/804110846.db2.gz OEEQRYXOSIEWBS-MOPGFXCFSA-N 2 1 298.405 3.279 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246073463 804112096 /nfs/dbraw/zinc/11/20/96/804112096.db2.gz YMUIDMYVGRHQHT-CRAIPNDOSA-N 2 1 280.415 3.159 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078185 804116137 /nfs/dbraw/zinc/11/61/37/804116137.db2.gz BPWKRCLXIMYNNI-MJVIPROJSA-N 2 1 284.806 3.140 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246098178 804129875 /nfs/dbraw/zinc/12/98/75/804129875.db2.gz PMTAIHYTPYFEAN-NXHRZFHOSA-N 2 1 274.452 3.376 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2cc(Cl)ccc2Cl)C[NH2+]1 ZINC001246099395 804131888 /nfs/dbraw/zinc/13/18/88/804131888.db2.gz XAXSHYIMFCNHBO-GWCFXTLKSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106269 804138819 /nfs/dbraw/zinc/13/88/19/804138819.db2.gz PBGQUKQZIKVGET-NFAWXSAZSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106258 804138928 /nfs/dbraw/zinc/13/89/28/804138928.db2.gz OSLISGIHBLCSAH-XJKCOSOUSA-N 2 1 280.843 3.249 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3c2ccn3C)CC1 ZINC001139159614 804145192 /nfs/dbraw/zinc/14/51/92/804145192.db2.gz MLCXPBGTXFASAT-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3c2ccn3C)CC1 ZINC001139159614 804145196 /nfs/dbraw/zinc/14/51/96/804145196.db2.gz MLCXPBGTXFASAT-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP C[C@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246118028 804149537 /nfs/dbraw/zinc/14/95/37/804149537.db2.gz UZGBQKWGQPQVLS-TURKWSHLSA-N 2 1 299.245 3.048 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246169387 804184351 /nfs/dbraw/zinc/18/43/51/804184351.db2.gz NGIFKKJOSLNDIQ-IAGOWNOFSA-N 2 1 260.425 3.130 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)C)C2)cc1Cl ZINC001246171840 804185746 /nfs/dbraw/zinc/18/57/46/804185746.db2.gz FIQUSLMAEMJJBG-HIFRSBDPSA-N 2 1 296.842 3.215 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246173588 804187694 /nfs/dbraw/zinc/18/76/94/804187694.db2.gz BGYGWUFHFCGLIB-CVEARBPZSA-N 2 1 272.436 3.432 20 0 CGADMP CCC[C@H](Cc1ccccc1)NC[C@]1(F)CCC[NH2+]C1 ZINC001246186447 804197354 /nfs/dbraw/zinc/19/73/54/804197354.db2.gz XLAUCCMEPTVFKT-SJORKVTESA-N 2 1 278.415 3.079 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246186447 804197356 /nfs/dbraw/zinc/19/73/56/804197356.db2.gz XLAUCCMEPTVFKT-SJORKVTESA-N 2 1 278.415 3.079 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[NH2+]CC3([NH3+])CC3)ccc2c1 ZINC001246208798 804208838 /nfs/dbraw/zinc/20/88/38/804208838.db2.gz DYDZAITZBMQCOO-CQSZACIVSA-N 2 1 298.430 3.250 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246218734 804212946 /nfs/dbraw/zinc/21/29/46/804212946.db2.gz CRXDOIYUWWMOOW-IHRRRGAJSA-N 2 1 276.415 3.426 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)cc1 ZINC001246224140 804219113 /nfs/dbraw/zinc/21/91/13/804219113.db2.gz ZRXCDCGUZDIJPB-ZBFHGGJFSA-N 2 1 296.405 3.151 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(F)c1 ZINC001246233730 804226558 /nfs/dbraw/zinc/22/65/58/804226558.db2.gz LPKQPXLVMWCYQJ-ZBFHGGJFSA-N 2 1 278.415 3.390 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCC2CCCCCCC2)C[NH2+]1 ZINC001246240749 804232498 /nfs/dbraw/zinc/23/24/98/804232498.db2.gz WTOGAXGKYKDDAV-HOCLYGCPSA-N 2 1 252.446 3.467 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]C1(c2ccccc2C(F)(F)F)CC1 ZINC001246262347 804243754 /nfs/dbraw/zinc/24/37/54/804243754.db2.gz AYBMPGPESJTPMC-LLVKDONJSA-N 2 1 286.341 3.282 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+][C@@H](C[NH3+])Cc1ccccc1)C2 ZINC001246266658 804246640 /nfs/dbraw/zinc/24/66/40/804246640.db2.gz LVCQVLIYTOLEEK-RTBURBONSA-N 2 1 294.442 3.012 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246268778 804247361 /nfs/dbraw/zinc/24/73/61/804247361.db2.gz ARTQHUXMESDVNB-ZDUSSCGKSA-N 2 1 284.469 3.269 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1F ZINC001246277941 804253295 /nfs/dbraw/zinc/25/32/95/804253295.db2.gz SNKIVQWMOKRCKM-OAHLLOKOSA-N 2 1 250.361 3.009 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)CC[NH2+]1 ZINC001246281329 804257131 /nfs/dbraw/zinc/25/71/31/804257131.db2.gz NPXIKMCQZHASDF-VNQPRFMTSA-N 2 1 276.399 3.315 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299337 804265659 /nfs/dbraw/zinc/26/56/59/804265659.db2.gz IZMKURINSRCLPM-RBUKOAKNSA-N 2 1 282.431 3.167 20 0 CGADMP CC1(C)CCC([NH2+]C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001246299024 804265883 /nfs/dbraw/zinc/26/58/83/804265883.db2.gz HIBCGJHKPRHPPR-HNNXBMFYSA-N 2 1 260.425 3.115 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246329001 804284140 /nfs/dbraw/zinc/28/41/40/804284140.db2.gz LCCKIIKCPVSQJK-IUODEOHRSA-N 2 1 280.843 3.249 20 0 CGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246333047 804287661 /nfs/dbraw/zinc/28/76/61/804287661.db2.gz UDNSXDSJTGRTPR-CZUORRHYSA-N 2 1 292.854 3.175 20 0 CGADMP CC[C@H](C)C1CCC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246332783 804287837 /nfs/dbraw/zinc/28/78/37/804287837.db2.gz IGFFOQQOQRWHNF-WUPYBSFASA-N 2 1 252.446 3.321 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246339015 804293280 /nfs/dbraw/zinc/29/32/80/804293280.db2.gz BRLFUOYNYDFFNT-XQQFMLRXSA-N 2 1 280.378 3.475 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246347551 804297523 /nfs/dbraw/zinc/29/75/23/804297523.db2.gz PRVACJNPXQCMLW-XMTFNYHQSA-N 2 1 272.436 3.270 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](COC)c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246356503 804301798 /nfs/dbraw/zinc/30/17/98/804301798.db2.gz SZQFGNXIQYGUEE-MHORFTMASA-N 2 1 290.451 3.273 20 0 CGADMP Clc1cccc(CC2(C[NH2+][C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246385956 804315903 /nfs/dbraw/zinc/31/59/03/804315903.db2.gz VQQFWZADIDLAJR-HNNXBMFYSA-N 2 1 278.827 3.004 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCC2)C[NH2+]1 ZINC001246433388 804331354 /nfs/dbraw/zinc/33/13/54/804331354.db2.gz JIQCANRUYMVBTP-HIFRSBDPSA-N 2 1 276.399 3.021 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC001246501315 804362675 /nfs/dbraw/zinc/36/26/75/804362675.db2.gz ADEUFRXIWBYBGQ-CABCVRRESA-N 2 1 280.481 3.439 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246498119 804362822 /nfs/dbraw/zinc/36/28/22/804362822.db2.gz IMBSZHLUTGTYJF-IGCXYCKISA-N 2 1 294.389 3.462 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC001246514509 804369127 /nfs/dbraw/zinc/36/91/27/804369127.db2.gz QRFVGWJZERSPGQ-RLCAUIQDSA-N 2 1 292.810 3.036 20 0 CGADMP CCCCC[N@@H+](C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246530034 804380267 /nfs/dbraw/zinc/38/02/67/804380267.db2.gz NIPRBCUCYDGYEV-QZTJIDSGSA-N 2 1 274.452 3.472 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001246539239 804389582 /nfs/dbraw/zinc/38/95/82/804389582.db2.gz FWAAYGOKGQALIE-WBVHZDCISA-N 2 1 260.425 3.129 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4cnccc43)C[C@@H]2C1 ZINC001140145778 804390056 /nfs/dbraw/zinc/39/00/56/804390056.db2.gz SYLFCRNLLSTLDZ-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4cnccc43)C[C@@H]2C1 ZINC001140145778 804390060 /nfs/dbraw/zinc/39/00/60/804390060.db2.gz SYLFCRNLLSTLDZ-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001140168207 804393466 /nfs/dbraw/zinc/39/34/66/804393466.db2.gz UDGLYNMJJWLSHI-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246544412 804393390 /nfs/dbraw/zinc/39/33/90/804393390.db2.gz VRWAXBWVLIHOKW-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246544412 804393399 /nfs/dbraw/zinc/39/33/99/804393399.db2.gz VRWAXBWVLIHOKW-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246547377 804396815 /nfs/dbraw/zinc/39/68/15/804396815.db2.gz HYOHQKGEZHXLOD-GJZGRUSLSA-N 2 1 256.409 3.274 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246548985 804397492 /nfs/dbraw/zinc/39/74/92/804397492.db2.gz ORVJIOMUZHXWDO-DZGCQCFKSA-N 2 1 258.409 3.136 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246548143 804398746 /nfs/dbraw/zinc/39/87/46/804398746.db2.gz JHUSZCXZWZTABC-GPANFISMSA-N 2 1 270.436 3.498 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@H](C(C)C)C1)C2 ZINC001246549494 804399364 /nfs/dbraw/zinc/39/93/64/804399364.db2.gz SJQWNVVMZAFKSM-AEFFLSMTSA-N 2 1 272.436 3.130 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@](C)([NH3+])CC1)C2 ZINC001246553083 804402649 /nfs/dbraw/zinc/40/26/49/804402649.db2.gz QTCCBKIMHWNFGH-WMZOPIPTSA-N 2 1 272.436 3.056 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246554547 804404297 /nfs/dbraw/zinc/40/42/97/804404297.db2.gz WIKGRMRTVKWPCJ-PBHICJAKSA-N 2 1 294.389 3.025 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001246554297 804404671 /nfs/dbraw/zinc/40/46/71/804404671.db2.gz ZLYJHBAIPOEMOW-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC(C)(C)C1 ZINC001246555624 804406273 /nfs/dbraw/zinc/40/62/73/804406273.db2.gz XUJGEUTVPRKIEK-IIAWOOMASA-N 2 1 252.446 3.405 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246561084 804409753 /nfs/dbraw/zinc/40/97/53/804409753.db2.gz IFZYCSVTUFUICO-DLBZAZTESA-N 2 1 276.399 3.180 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C[C@@H]1C ZINC001246560438 804409961 /nfs/dbraw/zinc/40/99/61/804409961.db2.gz GTHLRHINLGTMEP-CWVYHPPDSA-N 2 1 252.446 3.118 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCCCCCC2)CC[C@H]1C[NH3+] ZINC001246560719 804410617 /nfs/dbraw/zinc/41/06/17/804410617.db2.gz SGQCVGZDVQVZEB-CABCVRRESA-N 2 1 252.446 3.406 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001246563178 804411481 /nfs/dbraw/zinc/41/14/81/804411481.db2.gz JGACWQARNLIOJH-DAYGRLMNSA-N 2 1 274.452 3.239 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246562901 804411716 /nfs/dbraw/zinc/41/17/16/804411716.db2.gz IGPFSFPYJXQPBL-ISTRZQFTSA-N 2 1 292.854 3.257 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246562031 804412417 /nfs/dbraw/zinc/41/24/17/804412417.db2.gz HONYSSMVOGMCRK-IPYPFGDCSA-N 2 1 280.843 3.330 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246571086 804416667 /nfs/dbraw/zinc/41/66/67/804416667.db2.gz KUGZKWPWIRPYIA-YYIAUSFCSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246572448 804419136 /nfs/dbraw/zinc/41/91/36/804419136.db2.gz HALOFLNIGNATEO-QLFBSQMISA-N 2 1 256.409 3.121 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246572448 804419140 /nfs/dbraw/zinc/41/91/40/804419140.db2.gz HALOFLNIGNATEO-QLFBSQMISA-N 2 1 256.409 3.121 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246578813 804424078 /nfs/dbraw/zinc/42/40/78/804424078.db2.gz CJRUUPPBIRRPQT-ZBFHGGJFSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246580535 804426162 /nfs/dbraw/zinc/42/61/62/804426162.db2.gz WZDRYEFKQGLCLA-RHSMWYFYSA-N 2 1 278.415 3.208 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246581533 804426563 /nfs/dbraw/zinc/42/65/63/804426563.db2.gz QLXHXRZXQXNRQD-GJZGRUSLSA-N 2 1 258.425 3.498 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246581533 804426565 /nfs/dbraw/zinc/42/65/65/804426565.db2.gz QLXHXRZXQXNRQD-GJZGRUSLSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246582852 804427311 /nfs/dbraw/zinc/42/73/11/804427311.db2.gz HTKAMAFAWFVBKT-WMLDXEAASA-N 2 1 278.415 3.208 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246585466 804429475 /nfs/dbraw/zinc/42/94/75/804429475.db2.gz KYIROCUKMJWMBM-BYNSBNAKSA-N 2 1 258.425 3.208 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246585466 804429480 /nfs/dbraw/zinc/42/94/80/804429480.db2.gz KYIROCUKMJWMBM-BYNSBNAKSA-N 2 1 258.425 3.208 20 0 CGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246587242 804429594 /nfs/dbraw/zinc/42/95/94/804429594.db2.gz WJLBDHMKQYAMPJ-QAPCUYQASA-N 2 1 290.451 3.077 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246589279 804431847 /nfs/dbraw/zinc/43/18/47/804431847.db2.gz DXSNPXXYUZNMIJ-OWCLPIDISA-N 2 1 270.461 3.031 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246589245 804432405 /nfs/dbraw/zinc/43/24/05/804432405.db2.gz DQBUBSFWKMAULB-FGTMMUONSA-N 3 1 295.515 3.150 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246589245 804432407 /nfs/dbraw/zinc/43/24/07/804432407.db2.gz DQBUBSFWKMAULB-FGTMMUONSA-N 3 1 295.515 3.150 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591948 804433135 /nfs/dbraw/zinc/43/31/35/804433135.db2.gz JYICUDLPVUFBEX-IAGOWNOFSA-N 2 1 292.854 3.258 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246595006 804435758 /nfs/dbraw/zinc/43/57/58/804435758.db2.gz XHENZTMNYQJUTD-BPQIPLTHSA-N 2 1 274.452 3.457 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246609618 804443306 /nfs/dbraw/zinc/44/33/06/804443306.db2.gz ZVDLGLDTKQVYIB-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246609795 804445115 /nfs/dbraw/zinc/44/51/15/804445115.db2.gz NLZHAUWYZBHQQM-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001246611969 804446379 /nfs/dbraw/zinc/44/63/79/804446379.db2.gz VETQLMBNUBINPN-PKOBYXMFSA-N 2 1 286.463 3.392 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)C2)cc1 ZINC001246612264 804447142 /nfs/dbraw/zinc/44/71/42/804447142.db2.gz GDHQMWSSGGCWCN-SQNIBIBYSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@]4(CCC[NH2+]4)C3)C2)cc1 ZINC001246612264 804447149 /nfs/dbraw/zinc/44/71/49/804447149.db2.gz GDHQMWSSGGCWCN-SQNIBIBYSA-N 2 1 270.420 3.151 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246613521 804447307 /nfs/dbraw/zinc/44/73/07/804447307.db2.gz LDFSLNWCUXIZQE-UHFFFAOYSA-N 2 1 296.499 3.149 20 0 CGADMP c1ccc([C@@H]2C[N@@H+](C3CCCCCC3)CC23C[NH2+]C3)cc1 ZINC001246616705 804451250 /nfs/dbraw/zinc/45/12/50/804451250.db2.gz AMUJHVPHSATERJ-SFHVURJKSA-N 2 1 284.447 3.398 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246623516 804455049 /nfs/dbraw/zinc/45/50/49/804455049.db2.gz AINFJMCMIPTFNK-UYSNPLJNSA-N 2 1 250.430 3.031 20 0 CGADMP CCC1CCC([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001246625713 804457040 /nfs/dbraw/zinc/45/70/40/804457040.db2.gz UCLNUHBZABLBCT-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246625559 804457219 /nfs/dbraw/zinc/45/72/19/804457219.db2.gz WRCSQTQKCJRSLZ-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246628232 804458968 /nfs/dbraw/zinc/45/89/68/804458968.db2.gz KPWVYCBDSUVIOV-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP CCCCCC[C@H](CCCC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246628506 804459165 /nfs/dbraw/zinc/45/91/65/804459165.db2.gz ZWCPZJYBIORTDW-FGTMMUONSA-N 2 1 296.499 3.436 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246629696 804460642 /nfs/dbraw/zinc/46/06/42/804460642.db2.gz HHYSBLJPTOHVCY-DLBZAZTESA-N 2 1 270.420 3.008 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246630144 804460736 /nfs/dbraw/zinc/46/07/36/804460736.db2.gz IFTBOCZCTNNTEZ-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246632579 804462087 /nfs/dbraw/zinc/46/20/87/804462087.db2.gz XRKAPDJBJWUEGK-FUHWJXTLSA-N 2 1 272.436 3.002 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246632452 804462631 /nfs/dbraw/zinc/46/26/31/804462631.db2.gz YJXTYMRTKLQURT-OTWHNJEPSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CC2 ZINC001246634457 804463828 /nfs/dbraw/zinc/46/38/28/804463828.db2.gz NTRHWQFOEPNZDV-UXHICEINSA-N 2 1 298.474 3.460 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)C[C@@H]21 ZINC001246633249 804464039 /nfs/dbraw/zinc/46/40/39/804464039.db2.gz KZHNROWGSWEQCR-IVSAIRAKSA-N 2 1 262.441 3.029 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)C[C@@H]21 ZINC001246633249 804464042 /nfs/dbraw/zinc/46/40/42/804464042.db2.gz KZHNROWGSWEQCR-IVSAIRAKSA-N 2 1 262.441 3.029 20 0 CGADMP CCCC1CCC([N@H+]2CCC23CC[NH2+]CC3)CC1 ZINC001246640162 804467134 /nfs/dbraw/zinc/46/71/34/804467134.db2.gz BLFPDOWERHVIDS-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246640563 804467240 /nfs/dbraw/zinc/46/72/40/804467240.db2.gz VMJBSCPLIOOFII-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640135 804467667 /nfs/dbraw/zinc/46/76/67/804467667.db2.gz BEKVOECWZOFBQY-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246643962 804471063 /nfs/dbraw/zinc/47/10/63/804471063.db2.gz ONMWTUFRNWVQJZ-IEBWSBKVSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246643962 804471068 /nfs/dbraw/zinc/47/10/68/804471068.db2.gz ONMWTUFRNWVQJZ-IEBWSBKVSA-N 2 1 284.447 3.070 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC001246644671 804471790 /nfs/dbraw/zinc/47/17/90/804471790.db2.gz LEMIGWNLYWRFAW-FVQBIDKESA-N 2 1 250.430 3.029 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246644590 804472020 /nfs/dbraw/zinc/47/20/20/804472020.db2.gz RLFRHRXXGMOQQI-LPHOPBHVSA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246644590 804472023 /nfs/dbraw/zinc/47/20/23/804472023.db2.gz RLFRHRXXGMOQQI-LPHOPBHVSA-N 2 1 286.463 3.398 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644965 804472117 /nfs/dbraw/zinc/47/21/17/804472117.db2.gz SJFSFFGUYNEKMT-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644965 804472120 /nfs/dbraw/zinc/47/21/20/804472120.db2.gz SJFSFFGUYNEKMT-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)CC(C)(C)C1 ZINC001246646404 804473894 /nfs/dbraw/zinc/47/38/94/804473894.db2.gz DTWGHHGUHWGWKT-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246646801 804473902 /nfs/dbraw/zinc/47/39/02/804473902.db2.gz ICQIENJXDNMXRT-QYZOEREBSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246647985 804475047 /nfs/dbraw/zinc/47/50/47/804475047.db2.gz NSHKBYOSTSMXIR-HNNXBMFYSA-N 2 1 290.426 3.365 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246648502 804475337 /nfs/dbraw/zinc/47/53/37/804475337.db2.gz QGQGOGSJMYYXLM-OAGGEKHMSA-N 2 1 290.476 3.017 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246648832 804477407 /nfs/dbraw/zinc/47/74/07/804477407.db2.gz ZWXHDSZCMFCWFX-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650009 804477421 /nfs/dbraw/zinc/47/74/21/804477421.db2.gz GACAVFYSEXJTKF-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650009 804477425 /nfs/dbraw/zinc/47/74/25/804477425.db2.gz GACAVFYSEXJTKF-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP C1C[C@H]2CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]2C1 ZINC001246655080 804480930 /nfs/dbraw/zinc/48/09/30/804480930.db2.gz JSKRGULNQSWMBM-JKSUJKDBSA-N 2 1 276.468 3.421 20 0 CGADMP CCCCCC(CCCCC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246656148 804481030 /nfs/dbraw/zinc/48/10/30/804481030.db2.gz JBXOQBXDRVVJKR-ZSHCYNCHSA-N 2 1 252.446 3.405 20 0 CGADMP C1C[C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]2C1 ZINC001246657240 804482171 /nfs/dbraw/zinc/48/21/71/804482171.db2.gz PQAXDDWLBVLQON-BZUAXINKSA-N 2 1 262.441 3.031 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246658892 804483694 /nfs/dbraw/zinc/48/36/94/804483694.db2.gz QAHLJOBLIOOXSQ-OKZBNKHCSA-N 2 1 272.436 3.211 20 0 CGADMP C1[NH2+]C[C@H]2CC[N@H+](C3CCC4(CCCCC4)CC3)C[C@@H]12 ZINC001246666156 804486296 /nfs/dbraw/zinc/48/62/96/804486296.db2.gz HSLBBRZWZQAQGV-HZPDHXFCSA-N 2 1 276.468 3.421 20 0 CGADMP C1[NH2+]C[C@H]2CC[N@@H+](C3CCC4(CCCCC4)CC3)C[C@@H]12 ZINC001246666156 804486299 /nfs/dbraw/zinc/48/62/99/804486299.db2.gz HSLBBRZWZQAQGV-HZPDHXFCSA-N 2 1 276.468 3.421 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246671133 804489704 /nfs/dbraw/zinc/48/97/04/804489704.db2.gz ACAVTGUTMHIJLE-HKUYNNGSSA-N 2 1 286.463 3.185 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246675668 804490750 /nfs/dbraw/zinc/49/07/50/804490750.db2.gz QOWNTMSTFYYKJV-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP C[N@@H+](CCC[NH3+])[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246680796 804494132 /nfs/dbraw/zinc/49/41/32/804494132.db2.gz LKZIVDITSBCVSM-GFCCVEGCSA-N 2 1 287.234 3.131 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246679257 804494467 /nfs/dbraw/zinc/49/44/67/804494467.db2.gz SAEKADAWQQETQS-XHSDSOJGSA-N 2 1 264.457 3.277 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](C2CCCCC2)C3)cc1 ZINC001246682825 804496016 /nfs/dbraw/zinc/49/60/16/804496016.db2.gz OEBRFZNAVZZXMK-RTBURBONSA-N 2 1 284.447 3.398 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001246693736 804499248 /nfs/dbraw/zinc/49/92/48/804499248.db2.gz QKVWOOPUJJQJIY-BHUNQDJPSA-N 2 1 282.447 3.369 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246748024 804500886 /nfs/dbraw/zinc/50/08/86/804500886.db2.gz NQXPYZIJDMKDSN-GOSISDBHSA-N 2 1 298.474 3.417 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246766875 804501026 /nfs/dbraw/zinc/50/10/26/804501026.db2.gz ONUZHJSGXAYXRF-QGZVFWFLSA-N 2 1 272.436 3.349 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246778620 804506405 /nfs/dbraw/zinc/50/64/05/804506405.db2.gz WHKHFWKNKQHADQ-KAKFPZCNSA-N 2 1 284.447 3.224 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CC[NH2+]1 ZINC001246781592 804508341 /nfs/dbraw/zinc/50/83/41/804508341.db2.gz HNDCGGGABBHUDP-YHXWVGAOSA-N 2 1 262.441 3.028 20 0 CGADMP C[N@H+](Cc1cccs1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246783596 804509230 /nfs/dbraw/zinc/50/92/30/804509230.db2.gz PKMXXNMYKPPJNL-GXTWGEPZSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](Cc1cccs1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246783596 804509233 /nfs/dbraw/zinc/50/92/33/804509233.db2.gz PKMXXNMYKPPJNL-GXTWGEPZSA-N 2 1 266.454 3.347 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246787894 804511242 /nfs/dbraw/zinc/51/12/42/804511242.db2.gz FNIRZAKUCQBOEP-GJZGRUSLSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246790244 804512966 /nfs/dbraw/zinc/51/29/66/804512966.db2.gz MNAVNMHZIDOGNN-MOPGFXCFSA-N 2 1 286.463 3.470 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246794067 804517958 /nfs/dbraw/zinc/51/79/58/804517958.db2.gz YNFFTLWXVCVYBR-IRXDYDNUSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H]1CC([N@@H+](C)Cc2ccc(Cl)cc2)C[C@@H](C)[NH2+]1 ZINC001246798845 804518928 /nfs/dbraw/zinc/51/89/28/804518928.db2.gz SRPDUSCIUAWUHM-VXGBXAGGSA-N 2 1 266.816 3.301 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246800467 804520930 /nfs/dbraw/zinc/52/09/30/804520930.db2.gz DYIAWXUVHMFFRK-RRFJBIMHSA-N 2 1 276.399 3.146 20 0 CGADMP CCCCCC1CCC([N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC001246800435 804521500 /nfs/dbraw/zinc/52/15/00/804521500.db2.gz ZPEZVYALIQLCGP-HWOWSKLDSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@]1(F)CCCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802445 804521791 /nfs/dbraw/zinc/52/17/91/804521791.db2.gz VRUFGLDLLVUJBI-HNNXBMFYSA-N 2 1 261.344 3.277 20 0 CGADMP C[C@]1(F)CCCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802445 804521795 /nfs/dbraw/zinc/52/17/95/804521795.db2.gz VRUFGLDLLVUJBI-HNNXBMFYSA-N 2 1 261.344 3.277 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001140803254 804522997 /nfs/dbraw/zinc/52/29/97/804522997.db2.gz MIUPMQDLHWSSHC-INIZCTEOSA-N 2 1 293.370 3.216 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001140803254 804523003 /nfs/dbraw/zinc/52/30/03/804523003.db2.gz MIUPMQDLHWSSHC-INIZCTEOSA-N 2 1 293.370 3.216 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246804176 804523033 /nfs/dbraw/zinc/52/30/33/804523033.db2.gz MNQAJASPLSXHLG-RKVPGOIHSA-N 2 1 290.426 3.392 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC001246803390 804523702 /nfs/dbraw/zinc/52/37/02/804523702.db2.gz JTGCZKAXGIAVPR-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP COc1cccc(CC[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807274 804523770 /nfs/dbraw/zinc/52/37/70/804523770.db2.gz SYOLZUMCWBJEMK-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP COc1cccc(CC[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807274 804523773 /nfs/dbraw/zinc/52/37/73/804523773.db2.gz SYOLZUMCWBJEMK-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP CC1(C)CCC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)O1 ZINC001140805503 804523843 /nfs/dbraw/zinc/52/38/43/804523843.db2.gz HWNAFRIJQADZFG-UHFFFAOYSA-N 2 1 299.418 3.487 20 0 CGADMP CC[NH2+]C1CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246803942 804523882 /nfs/dbraw/zinc/52/38/82/804523882.db2.gz NZAPTQVGUSXGLU-HNNXBMFYSA-N 2 1 292.854 3.271 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246814454 804530293 /nfs/dbraw/zinc/53/02/93/804530293.db2.gz PJIRQJSLLIJRTD-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CC1(C)[C@@H]2C[N@@H+]([C@@H]3CCN[C@H](c4ccccc4)C3)C[C@@H]21 ZINC001246819259 804533349 /nfs/dbraw/zinc/53/33/49/804533349.db2.gz IMGDLFGBOMZOAV-NCOADZHNSA-N 2 1 270.420 3.068 20 0 CGADMP CC1(C)[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C[C@@H]21 ZINC001246819259 804533352 /nfs/dbraw/zinc/53/33/52/804533352.db2.gz IMGDLFGBOMZOAV-NCOADZHNSA-N 2 1 270.420 3.068 20 0 CGADMP CC1(C)[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C[C@@H]21 ZINC001246819259 804533355 /nfs/dbraw/zinc/53/33/55/804533355.db2.gz IMGDLFGBOMZOAV-NCOADZHNSA-N 2 1 270.420 3.068 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2Cc3cccc(F)c3C2)C[C@H](CC)[NH2+]1 ZINC001246825547 804539705 /nfs/dbraw/zinc/53/97/05/804539705.db2.gz VQWFTRHEAIIJEQ-QDMKHBRRSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2Cc3cccc(F)c3C2)C[C@H](CC)[NH2+]1 ZINC001246825547 804539712 /nfs/dbraw/zinc/53/97/12/804539712.db2.gz VQWFTRHEAIIJEQ-QDMKHBRRSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835597 804543884 /nfs/dbraw/zinc/54/38/84/804543884.db2.gz JVPJYMPXDQSMQY-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2cccc(OC)c2)CC[NH2+]1 ZINC001246840414 804547880 /nfs/dbraw/zinc/54/78/80/804547880.db2.gz OEJKMDFGORVMKN-HOTGVXAUSA-N 2 1 276.424 3.048 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246839690 804547964 /nfs/dbraw/zinc/54/79/64/804547964.db2.gz DNFIOJYKAPEHOD-STQMWFEESA-N 2 1 298.833 3.342 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246840108 804548340 /nfs/dbraw/zinc/54/83/40/804548340.db2.gz FDSNMUXPQIPMIA-JYJNAYRXSA-N 2 1 254.462 3.379 20 0 CGADMP CC[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246839389 804548386 /nfs/dbraw/zinc/54/83/86/804548386.db2.gz AOQLFNBGXQSYIB-FHERZECASA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839234 804548987 /nfs/dbraw/zinc/54/89/87/804548987.db2.gz CBKRWDZJQLVCKE-OVZMXSCWSA-N 2 1 296.817 3.079 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839234 804548995 /nfs/dbraw/zinc/54/89/95/804548995.db2.gz CBKRWDZJQLVCKE-OVZMXSCWSA-N 2 1 296.817 3.079 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246843316 804551956 /nfs/dbraw/zinc/55/19/56/804551956.db2.gz FRYBEOLRNDPENE-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246845822 804553240 /nfs/dbraw/zinc/55/32/40/804553240.db2.gz MCPWMSFQMPXMGX-IRXDYDNUSA-N 2 1 260.425 3.211 20 0 CGADMP CCC(CC)[N@@H+](C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246847530 804556164 /nfs/dbraw/zinc/55/61/64/804556164.db2.gz SWHLTGKVEBOEPL-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)C1CCC([NH2+]C)CC1 ZINC001246848221 804557766 /nfs/dbraw/zinc/55/77/66/804557766.db2.gz XPLBPKOKEJVCHC-UHFFFAOYSA-N 2 1 264.388 3.178 20 0 CGADMP CCCCC(CCCC)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246848443 804558071 /nfs/dbraw/zinc/55/80/71/804558071.db2.gz VLKBAEVOGPZZMO-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP CCCCC(CCCC)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246848443 804558078 /nfs/dbraw/zinc/55/80/78/804558078.db2.gz VLKBAEVOGPZZMO-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@H](CC)C2)cc1 ZINC001246848123 804558495 /nfs/dbraw/zinc/55/84/95/804558495.db2.gz WEPKBAQFFAKALY-SJORKVTESA-N 2 1 260.425 3.211 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](C)C/C=C/c2ccccc2)CC[NH2+]1 ZINC001246849200 804559329 /nfs/dbraw/zinc/55/93/29/804559329.db2.gz ZPHDVNDCWMCHCX-CVRCPQJVSA-N 2 1 272.436 3.408 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246852845 804562481 /nfs/dbraw/zinc/56/24/81/804562481.db2.gz KWMVEKDEEZOPPS-KCPJHIHWSA-N 2 1 298.352 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246852845 804562484 /nfs/dbraw/zinc/56/24/84/804562484.db2.gz KWMVEKDEEZOPPS-KCPJHIHWSA-N 2 1 298.352 3.060 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)CSc2ccc(C)cc2)C1 ZINC001246860898 804565157 /nfs/dbraw/zinc/56/51/57/804565157.db2.gz CEKLHTJOWKTIEQ-GJZGRUSLSA-N 2 1 278.465 3.017 20 0 CGADMP c1ccc(C2=CC[N@@H+](C3CCC4(C[NH2+]C4)CC3)CC2)cc1 ZINC001246862028 804565310 /nfs/dbraw/zinc/56/53/10/804565310.db2.gz UWVWVXCHSPSQDL-UHFFFAOYSA-N 2 1 282.431 3.308 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246865449 804569768 /nfs/dbraw/zinc/56/97/68/804569768.db2.gz ZXNUVFDSTQRIES-NQKKVCCDSA-N 2 1 250.430 3.014 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246873592 804573653 /nfs/dbraw/zinc/57/36/53/804573653.db2.gz UEEAUCWGNJQOGT-MNEFBYGVSA-N 2 1 284.447 3.356 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246875443 804574449 /nfs/dbraw/zinc/57/44/49/804574449.db2.gz VXFQPBBSTQIMBY-ROUUACIJSA-N 2 1 295.515 3.090 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246881778 804578516 /nfs/dbraw/zinc/57/85/16/804578516.db2.gz JBCMWLJAWYZEMP-AWEZNQCLSA-N 2 1 278.465 3.492 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC001246887507 804581936 /nfs/dbraw/zinc/58/19/36/804581936.db2.gz POMNFYSFIJJJQX-CKQIIDDLSA-N 2 1 292.373 3.385 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC001246887507 804581939 /nfs/dbraw/zinc/58/19/39/804581939.db2.gz POMNFYSFIJJJQX-CKQIIDDLSA-N 2 1 292.373 3.385 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CC[NH2+]1 ZINC001246895188 804585567 /nfs/dbraw/zinc/58/55/67/804585567.db2.gz WKTYUPAJLLKABI-IRXDYDNUSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH2+]1 ZINC001246901359 804588281 /nfs/dbraw/zinc/58/82/81/804588281.db2.gz MNDHCVIKQISGAR-QWQRMKEZSA-N 2 1 283.419 3.445 20 0 CGADMP Nc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246907048 804591905 /nfs/dbraw/zinc/59/19/05/804591905.db2.gz TVBCHBXHCKSVQV-SFHVURJKSA-N 2 1 299.462 3.082 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246908030 804593206 /nfs/dbraw/zinc/59/32/06/804593206.db2.gz KQRDXHPSFRWECL-QGZVFWFLSA-N 2 1 272.436 3.492 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246908713 804593663 /nfs/dbraw/zinc/59/36/63/804593663.db2.gz UYDQVNVIOJAALZ-MIFYACCESA-N 2 1 278.827 3.160 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246912622 804596041 /nfs/dbraw/zinc/59/60/41/804596041.db2.gz ZNEKKKRLSDKQJN-NWDGAFQWSA-N 2 1 296.867 3.180 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1c(F)cccc1Cl ZINC001246934412 804607439 /nfs/dbraw/zinc/60/74/39/804607439.db2.gz DVRBJJVSTSRXJC-STQMWFEESA-N 2 1 298.833 3.342 20 0 CGADMP COCC[N@H+](C1CCC(C(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246931162 804607695 /nfs/dbraw/zinc/60/76/95/804607695.db2.gz WWDJGLBSHUHBJR-OFLPRAFFSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[N@@H+](C1CCC(C(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246931162 804607698 /nfs/dbraw/zinc/60/76/98/804607698.db2.gz WWDJGLBSHUHBJR-OFLPRAFFSA-N 2 1 296.499 3.292 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](CC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001246946839 804613817 /nfs/dbraw/zinc/61/38/17/804613817.db2.gz IAZUJCYSBATKLA-CRAIPNDOSA-N 2 1 274.452 3.111 20 0 CGADMP CC(C)(C)C[N@@H+](C1CCCCC1)C1CC[NH2+]CC1 ZINC001246946301 804614034 /nfs/dbraw/zinc/61/40/34/804614034.db2.gz KYCSQXLUORLSMV-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CCOCC[N@@H+]([C@@H](C)CCCC(C)C)C1CC[NH2+]CC1 ZINC001246948864 804615216 /nfs/dbraw/zinc/61/52/16/804615216.db2.gz GBJKFSVOEMBXDW-INIZCTEOSA-N 2 1 284.488 3.292 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)C1CCCCCCC1 ZINC001246950386 804616625 /nfs/dbraw/zinc/61/66/25/804616625.db2.gz OQJLDSAMZLAVBX-UHFFFAOYSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246970395 804622739 /nfs/dbraw/zinc/62/27/39/804622739.db2.gz YRHWRPALZKZJCH-IUODEOHRSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001247001184 804634144 /nfs/dbraw/zinc/63/41/44/804634144.db2.gz JPDHYOFFINOHKH-SJORKVTESA-N 2 1 292.854 3.258 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC[NH2+]1 ZINC001247002877 804635559 /nfs/dbraw/zinc/63/55/59/804635559.db2.gz LZAKHDNJKNIEOI-VGWMRTNUSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247005161 804637063 /nfs/dbraw/zinc/63/70/63/804637063.db2.gz VBGGZDFYMZQCBO-CZUORRHYSA-N 2 1 280.843 3.332 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC001247005528 804637610 /nfs/dbraw/zinc/63/76/10/804637610.db2.gz SDRJQBIBVYVWCI-KZNAEPCWSA-N 2 1 290.426 3.363 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247015211 804643197 /nfs/dbraw/zinc/64/31/97/804643197.db2.gz NKAXISPYISSLII-IPELMVKDSA-N 2 1 286.463 3.254 20 0 CGADMP CC(C)C1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014815 804643780 /nfs/dbraw/zinc/64/37/80/804643780.db2.gz LKNQAZQYIYGDNE-ODZFXCKXSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014815 804643787 /nfs/dbraw/zinc/64/37/87/804643787.db2.gz LKNQAZQYIYGDNE-ODZFXCKXSA-N 2 1 264.457 3.275 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1 ZINC001142935005 804787538 /nfs/dbraw/zinc/78/75/38/804787538.db2.gz KWGJEOAQWSTXAR-UHFFFAOYSA-N 2 1 290.451 3.086 20 0 CGADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cs1 ZINC001248804653 804998559 /nfs/dbraw/zinc/99/85/59/804998559.db2.gz OYOFGFJFMMSZQW-UHFFFAOYSA-N 2 1 287.432 3.082 20 0 CGADMP COc1ccc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@H]3C)c2c1 ZINC001155031527 805527256 /nfs/dbraw/zinc/52/72/56/805527256.db2.gz MIRBADSRMAHQSE-HIFRSBDPSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256856349 806992799 /nfs/dbraw/zinc/99/27/99/806992799.db2.gz GIGPDILIUIOCBS-OAHLLOKOSA-N 2 1 273.424 3.172 20 0 CGADMP Cc1cccc2c1CC[N@@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257213293 807061389 /nfs/dbraw/zinc/06/13/89/807061389.db2.gz KGKWQAPUDCDSRD-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP Cc1cccc2c1CC[N@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257213293 807061396 /nfs/dbraw/zinc/06/13/96/807061396.db2.gz KGKWQAPUDCDSRD-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001257218123 807065490 /nfs/dbraw/zinc/06/54/90/807065490.db2.gz RJWFTYXXHNZZDH-MRXNPFEDSA-N 2 1 287.451 3.134 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCCC2)CC1 ZINC001257349541 807117400 /nfs/dbraw/zinc/11/74/00/807117400.db2.gz UVWANCPXLBVWQE-JCNLHEQBSA-N 2 1 273.424 3.096 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257355547 807120288 /nfs/dbraw/zinc/12/02/88/807120288.db2.gz ZSBXUCKKQIGTIS-ROUUACIJSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257355547 807120295 /nfs/dbraw/zinc/12/02/95/807120295.db2.gz ZSBXUCKKQIGTIS-ROUUACIJSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257355547 807120301 /nfs/dbraw/zinc/12/03/01/807120301.db2.gz ZSBXUCKKQIGTIS-ROUUACIJSA-N 2 1 284.447 3.383 20 0 CGADMP Cc1ccc[nH+]c1N(C1CCCCC1)C1CC[NH2+]CC1 ZINC001257467675 807171871 /nfs/dbraw/zinc/17/18/71/807171871.db2.gz YZECSSXPKPXGKP-UHFFFAOYSA-N 2 1 273.424 3.281 20 0 CGADMP CCCCC[C@@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001257510950 807187287 /nfs/dbraw/zinc/18/72/87/807187287.db2.gz SYJUXZCPYLYDQY-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP CCCCC[C@@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001257510950 807187290 /nfs/dbraw/zinc/18/72/90/807187290.db2.gz SYJUXZCPYLYDQY-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]([NH3+])c1ccc(NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001167754118 807243651 /nfs/dbraw/zinc/24/36/51/807243651.db2.gz VKMAXBUJXFXTOV-CABCVRRESA-N 2 1 275.440 3.383 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1cccnc1 ZINC001167827151 807255624 /nfs/dbraw/zinc/25/56/24/807255624.db2.gz TZWXMGDCYJUGEZ-MRXNPFEDSA-N 2 1 277.456 3.066 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2nc(C)sc2C1 ZINC001167826598 807255893 /nfs/dbraw/zinc/25/58/93/807255893.db2.gz RCLIWZMTWXSCST-ZDUSSCGKSA-N 2 1 295.496 3.320 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC2(CCC2)C1 ZINC001167837764 807259324 /nfs/dbraw/zinc/25/93/24/807259324.db2.gz MEJCERLAMHMVBT-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3cnccc32)CC1 ZINC001258008798 807264667 /nfs/dbraw/zinc/26/46/67/807264667.db2.gz FVNZITUSWPTQNP-SFHVURJKSA-N 2 1 287.451 3.169 20 0 CGADMP [NH2+]=C(Nc1ccc2cc(C(F)F)cnc2c1)SCC[NH3+] ZINC001167915138 807272876 /nfs/dbraw/zinc/27/28/76/807272876.db2.gz FGSARYJZQBZRCU-UHFFFAOYSA-N 2 1 296.346 3.211 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951815 807281752 /nfs/dbraw/zinc/28/17/52/807281752.db2.gz LLYLVBSAUFQLDB-IYWMVGAKSA-N 2 1 296.458 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951815 807281757 /nfs/dbraw/zinc/28/17/57/807281757.db2.gz LLYLVBSAUFQLDB-IYWMVGAKSA-N 2 1 296.458 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951815 807281760 /nfs/dbraw/zinc/28/17/60/807281760.db2.gz LLYLVBSAUFQLDB-IYWMVGAKSA-N 2 1 296.458 3.383 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258059731 807282333 /nfs/dbraw/zinc/28/23/33/807282333.db2.gz HYSOWSYMEFRNFL-YVSFHVDLSA-N 2 1 296.499 3.418 20 0 CGADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccnc1 ZINC001167958956 807286365 /nfs/dbraw/zinc/28/63/65/807286365.db2.gz KXNSHCHNQUOBQQ-AYHJJNSGSA-N 2 1 299.462 3.312 20 0 CGADMP C[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981792 807291009 /nfs/dbraw/zinc/29/10/09/807291009.db2.gz KGDAVFYDRCJXIG-KTFSGNIMSA-N 2 1 262.441 3.266 20 0 CGADMP C[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981792 807291014 /nfs/dbraw/zinc/29/10/14/807291014.db2.gz KGDAVFYDRCJXIG-KTFSGNIMSA-N 2 1 262.441 3.266 20 0 CGADMP CSCC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258210556 807366478 /nfs/dbraw/zinc/36/64/78/807366478.db2.gz AAKKOLUGPSWBLV-RBSFLKMASA-N 2 1 272.502 3.356 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cccc(F)c2F)CC1 ZINC001168328759 807385887 /nfs/dbraw/zinc/38/58/87/807385887.db2.gz JTCXQLCXHMOFCD-UHFFFAOYSA-N 2 1 282.378 3.269 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001168329156 807386073 /nfs/dbraw/zinc/38/60/73/807386073.db2.gz NLDXPRZXCDCQJO-RYTJFDOTSA-N 2 1 284.447 3.446 20 0 CGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258280287 807393002 /nfs/dbraw/zinc/39/30/02/807393002.db2.gz SKORRXOUAXAMKD-OAHLLOKOSA-N 3 1 297.531 3.431 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCC(C)(C)C1 ZINC001258291010 807400612 /nfs/dbraw/zinc/40/06/12/807400612.db2.gz DPSNJQVBZXZJFH-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258323791 807409315 /nfs/dbraw/zinc/40/93/15/807409315.db2.gz IEJMOTIRRPWRLM-IHRRRGAJSA-N 2 1 272.502 3.369 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258325637 807410938 /nfs/dbraw/zinc/41/09/38/807410938.db2.gz AOWNDZBNIUAWGV-KGLIPLIRSA-N 2 1 272.502 3.227 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258325637 807410945 /nfs/dbraw/zinc/41/09/45/807410945.db2.gz AOWNDZBNIUAWGV-KGLIPLIRSA-N 2 1 272.502 3.227 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168453859 807419819 /nfs/dbraw/zinc/41/98/19/807419819.db2.gz HXLFKTJMAOGGEB-OAHLLOKOSA-N 2 1 280.431 3.468 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168453859 807419823 /nfs/dbraw/zinc/41/98/23/807419823.db2.gz HXLFKTJMAOGGEB-OAHLLOKOSA-N 2 1 280.431 3.468 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001258443436 807452570 /nfs/dbraw/zinc/45/25/70/807452570.db2.gz MIXKIIHFDQFGDC-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258453637 807459229 /nfs/dbraw/zinc/45/92/29/807459229.db2.gz DHXBPCGTOPVNQI-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258453637 807459234 /nfs/dbraw/zinc/45/92/34/807459234.db2.gz DHXBPCGTOPVNQI-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001258475010 807472963 /nfs/dbraw/zinc/47/29/63/807472963.db2.gz ZZYHDYDSROGGIU-CQSZACIVSA-N 2 1 269.392 3.493 20 0 CGADMP CC[C@@H](C)C[C@H](C)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168692460 807483292 /nfs/dbraw/zinc/48/32/92/807483292.db2.gz YQRLCWLAYFVMOW-OLZOCXBDSA-N 2 1 286.423 3.258 20 0 CGADMP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001258599353 807498477 /nfs/dbraw/zinc/49/84/77/807498477.db2.gz ZJCPUZQDXASKMH-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001258599353 807498481 /nfs/dbraw/zinc/49/84/81/807498481.db2.gz ZJCPUZQDXASKMH-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC001258607739 807505062 /nfs/dbraw/zinc/50/50/62/807505062.db2.gz OUOWYHHSOXCPKA-OAHLLOKOSA-N 2 1 250.430 3.124 20 0 CGADMP Cc1cc2cc(C[NH3+])ccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080344 807569823 /nfs/dbraw/zinc/56/98/23/807569823.db2.gz MSBCQRXHQKEMCS-FVQHAEBGSA-N 2 1 283.419 3.206 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095972 807574416 /nfs/dbraw/zinc/57/44/16/807574416.db2.gz TVXZAXGVTCQAOF-DZUCGIPZSA-N 2 1 258.409 3.271 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCCC1(C)C)C2 ZINC001169115274 807581564 /nfs/dbraw/zinc/58/15/64/807581564.db2.gz IAIGQQPXYRZOAU-APIJFGDWSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)nc1 ZINC001169120182 807583612 /nfs/dbraw/zinc/58/36/12/807583612.db2.gz ZEDKIPWBNGPLDO-XLMAVXFVSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001169120182 807583617 /nfs/dbraw/zinc/58/36/17/807583617.db2.gz ZEDKIPWBNGPLDO-XLMAVXFVSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001169138353 807588401 /nfs/dbraw/zinc/58/84/01/807588401.db2.gz PTDNCPIKSAGZEZ-XJKSGUPXSA-N 2 1 261.413 3.346 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143535 807589918 /nfs/dbraw/zinc/58/99/18/807589918.db2.gz GBWAEIVYXSWAQM-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143535 807589927 /nfs/dbraw/zinc/58/99/27/807589927.db2.gz GBWAEIVYXSWAQM-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143535 807589932 /nfs/dbraw/zinc/58/99/32/807589932.db2.gz GBWAEIVYXSWAQM-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(Cl)c3)C[C@H]2C1 ZINC001258753634 807593588 /nfs/dbraw/zinc/59/35/88/807593588.db2.gz OJNHKXSCAUDTLG-NUEKZKHPSA-N 2 1 292.854 3.155 20 0 CGADMP Cc1ccc2c(c1)[nH+]ccc2-n1ncc2c1cccc2C[NH3+] ZINC001169195829 807600905 /nfs/dbraw/zinc/60/09/05/807600905.db2.gz RVPAAHAMSUSPOZ-UHFFFAOYSA-N 2 1 288.354 3.341 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001169244241 807613232 /nfs/dbraw/zinc/61/32/32/807613232.db2.gz JEYBZRYGDGKHSJ-HZPDHXFCSA-N 2 1 278.827 3.270 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001258817315 807634578 /nfs/dbraw/zinc/63/45/78/807634578.db2.gz RFLDNGJMRYFKIZ-FXUDXRNXSA-N 2 1 252.446 3.274 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC001258907058 807672572 /nfs/dbraw/zinc/67/25/72/807672572.db2.gz DSEGFJSZQMAUOQ-HNNXBMFYSA-N 2 1 263.429 3.024 20 0 CGADMP C[NH+](C)CCC(C)(C)Nc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001169717342 807696495 /nfs/dbraw/zinc/69/64/95/807696495.db2.gz BIICBKJSSLMMHF-INIZCTEOSA-N 2 1 289.467 3.248 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC001261482610 807749083 /nfs/dbraw/zinc/74/90/83/807749083.db2.gz SWMDZAMTMNDNLM-KRWDZBQOSA-N 2 1 289.467 3.092 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001170117832 807764199 /nfs/dbraw/zinc/76/41/99/807764199.db2.gz NWXGQNDBCMDKGR-BPUTZDHNSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001170117832 807764203 /nfs/dbraw/zinc/76/42/03/807764203.db2.gz NWXGQNDBCMDKGR-BPUTZDHNSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc[nH+]c1N([C@@H]1CC[C@H](C)C1)C1CC[NH2+]CC1 ZINC001170162390 807782629 /nfs/dbraw/zinc/78/26/29/807782629.db2.gz SVCCEIYOUZMEBB-XJKSGUPXSA-N 2 1 273.424 3.137 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192747 807790055 /nfs/dbraw/zinc/79/00/55/807790055.db2.gz KFMXOHQQCQYQOL-DZUCGIPZSA-N 2 1 280.456 3.068 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171021721 807962463 /nfs/dbraw/zinc/96/24/63/807962463.db2.gz AGEXYOHBLKEBAU-NRXISQOPSA-N 2 1 292.854 3.399 20 0 CGADMP CC(C)([NH3+])CNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001171193876 808007025 /nfs/dbraw/zinc/00/70/25/808007025.db2.gz GFSHILJYNPOZTM-UHFFFAOYSA-N 2 1 295.430 3.352 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001171575987 808102170 /nfs/dbraw/zinc/10/21/70/808102170.db2.gz ZHHNGGJQBDKLAC-GOSISDBHSA-N 2 1 298.474 3.270 20 0 CGADMP C[NH+]1C(C)(C)CC([NH+]2CCC3(CCOC3)CC2)CC1(C)C ZINC001171630790 808108100 /nfs/dbraw/zinc/10/81/00/808108100.db2.gz BRDLAQNCMCLLRR-UHFFFAOYSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+](CCC[NH3+])C(C)C)cc1 ZINC001171657283 808112202 /nfs/dbraw/zinc/11/22/02/808112202.db2.gz DGTDSFSXIBVLCJ-MRXNPFEDSA-N 2 1 262.441 3.375 20 0 CGADMP C[C@@H]1C[C@H](Nc2cccc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171724864 808126035 /nfs/dbraw/zinc/12/60/35/808126035.db2.gz DGBSPJOZYPMQRI-BEFAXECRSA-N 2 1 295.430 3.220 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171774775 808135685 /nfs/dbraw/zinc/13/56/85/808135685.db2.gz DRIMTUKGTXNBDP-HOCLYGCPSA-N 2 1 290.426 3.147 20 0 CGADMP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967278 808162101 /nfs/dbraw/zinc/16/21/01/808162101.db2.gz YUTGAQGPRMBSGU-INIZCTEOSA-N 2 1 260.425 3.429 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(C[NH3+])c3ccccc31)C2 ZINC001172098172 808170785 /nfs/dbraw/zinc/17/07/85/808170785.db2.gz BDCSJBFJPXFLPL-MUJYYYPQSA-N 2 1 283.419 3.288 20 0 CGADMP Cc1ccccc1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099410 808171825 /nfs/dbraw/zinc/17/18/25/808171825.db2.gz KRERWGIJWDZNME-BCDXTJNWSA-N 2 1 272.436 3.142 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100623 808172141 /nfs/dbraw/zinc/17/21/41/808172141.db2.gz QQUPRUGPXLXQGQ-OSYLJGHBSA-N 2 1 258.409 3.100 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)CCCCC1)C2 ZINC001172101509 808172994 /nfs/dbraw/zinc/17/29/94/808172994.db2.gz ZDUJWGJQNGYNHG-QKDCVEJESA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)CCCCC1)C2 ZINC001172101509 808172997 /nfs/dbraw/zinc/17/29/97/808172997.db2.gz ZDUJWGJQNGYNHG-QKDCVEJESA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1=CCCCC1)C2 ZINC001172107485 808176717 /nfs/dbraw/zinc/17/67/17/808176717.db2.gz YHKYZWJDQVQDIT-BJWYYQGGSA-N 2 1 262.441 3.482 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC13CCC3)C2 ZINC001172109152 808179156 /nfs/dbraw/zinc/17/91/56/808179156.db2.gz BRNKPBCHVKIGDS-QKPAOTATSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC13CCC3)C2 ZINC001172109152 808179158 /nfs/dbraw/zinc/17/91/58/808179158.db2.gz BRNKPBCHVKIGDS-QKPAOTATSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)C2 ZINC001172110789 808179232 /nfs/dbraw/zinc/17/92/32/808179232.db2.gz PECRUPUIWWTKII-ZJPYXAASSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)C2 ZINC001172110789 808179235 /nfs/dbraw/zinc/17/92/35/808179235.db2.gz PECRUPUIWWTKII-ZJPYXAASSA-N 2 1 285.435 3.138 20 0 CGADMP CC(C)CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC001172110256 808179329 /nfs/dbraw/zinc/17/93/29/808179329.db2.gz JFXNWJYOLUOUAS-OSYLJGHBSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172110256 808179332 /nfs/dbraw/zinc/17/93/32/808179332.db2.gz JFXNWJYOLUOUAS-OSYLJGHBSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3ccncc31)C2 ZINC001172113560 808179895 /nfs/dbraw/zinc/17/98/95/808179895.db2.gz KHPJTYTXYMHUNO-XLMAVXFVSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3ccncc31)C2 ZINC001172113560 808179898 /nfs/dbraw/zinc/17/98/98/808179898.db2.gz KHPJTYTXYMHUNO-XLMAVXFVSA-N 2 1 285.435 3.064 20 0 CGADMP Cc1cncc([C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172114029 808181369 /nfs/dbraw/zinc/18/13/69/808181369.db2.gz ODCDCOLNEWIIJV-OKYOBFRVSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cncc([C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172114029 808181371 /nfs/dbraw/zinc/18/13/71/808181371.db2.gz ODCDCOLNEWIIJV-OKYOBFRVSA-N 2 1 299.462 3.446 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3ccccc3CC1)C2 ZINC001172121188 808183775 /nfs/dbraw/zinc/18/37/75/808183775.db2.gz IWBMOWOQTIPPOQ-REPLKXPHSA-N 2 1 284.447 3.103 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H]3CCC[C@H]31)C2 ZINC001172124541 808185309 /nfs/dbraw/zinc/18/53/09/808185309.db2.gz LIPACQGNIPJGJB-UHDSXZAQSA-N 2 1 262.441 3.266 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001172124541 808185312 /nfs/dbraw/zinc/18/53/12/808185312.db2.gz LIPACQGNIPJGJB-UHDSXZAQSA-N 2 1 262.441 3.266 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001172124541 808185316 /nfs/dbraw/zinc/18/53/16/808185316.db2.gz LIPACQGNIPJGJB-UHDSXZAQSA-N 2 1 262.441 3.266 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001172124541 808185318 /nfs/dbraw/zinc/18/53/18/808185318.db2.gz LIPACQGNIPJGJB-UHDSXZAQSA-N 2 1 262.441 3.266 20 0 CGADMP C[N@@H+](Cc1ccsc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125941 808186847 /nfs/dbraw/zinc/18/68/47/808186847.db2.gz SCCSUHBZIOLTTP-QDMKHBRRSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1ccsc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125941 808186850 /nfs/dbraw/zinc/18/68/50/808186850.db2.gz SCCSUHBZIOLTTP-QDMKHBRRSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1ccsc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125941 808186855 /nfs/dbraw/zinc/18/68/55/808186855.db2.gz SCCSUHBZIOLTTP-QDMKHBRRSA-N 2 1 264.438 3.195 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131256 808188513 /nfs/dbraw/zinc/18/85/13/808188513.db2.gz VNURUXNKRLHUSU-JJXSEGSLSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131256 808188519 /nfs/dbraw/zinc/18/85/19/808188519.db2.gz VNURUXNKRLHUSU-JJXSEGSLSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131256 808188523 /nfs/dbraw/zinc/18/85/23/808188523.db2.gz VNURUXNKRLHUSU-JJXSEGSLSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131256 808188528 /nfs/dbraw/zinc/18/85/28/808188528.db2.gz VNURUXNKRLHUSU-JJXSEGSLSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001172374828 808270058 /nfs/dbraw/zinc/27/00/58/808270058.db2.gz RRNBCMGLJLNLHF-IIAWOOMASA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H](CC(C)C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001172403336 808291784 /nfs/dbraw/zinc/29/17/84/808291784.db2.gz RGPICMUWRRQUBZ-INIZCTEOSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CC(C)(C)OC(C)(C)C1 ZINC001172657811 808411012 /nfs/dbraw/zinc/41/10/12/808411012.db2.gz FMUGFRSOSYRYKR-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172860830 808466153 /nfs/dbraw/zinc/46/61/53/808466153.db2.gz HFCSQIMVGJDNFC-SWLSCSKDSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@@H]1C[C@H]1[NH3+] ZINC001173212066 808538008 /nfs/dbraw/zinc/53/80/08/808538008.db2.gz VAHGOWHUZVUJLV-GDIGMMSISA-N 2 1 280.415 3.286 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001173243506 808551989 /nfs/dbraw/zinc/55/19/89/808551989.db2.gz OMVQNHHVNOTYIG-MRXNPFEDSA-N 2 1 288.479 3.454 20 0 CGADMP CC[C@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001173288217 808588268 /nfs/dbraw/zinc/58/82/68/808588268.db2.gz MIIKGOAUNUUFIT-MAUKXSAKSA-N 2 1 294.483 3.140 20 0 CGADMP CC[N@H+]1CC[C@H](n2cc(C[NH3+])c3cc(Cl)ccc32)C1 ZINC001173351351 808627114 /nfs/dbraw/zinc/62/71/14/808627114.db2.gz XDGRVJCFIUHEAC-ZDUSSCGKSA-N 2 1 277.799 3.020 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCc1ccc(F)cc1)C2 ZINC001274879366 808890373 /nfs/dbraw/zinc/89/03/73/808890373.db2.gz KQHBDNHZTRTUOY-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCc1ccc(F)cc1)C2 ZINC001274879366 808890381 /nfs/dbraw/zinc/89/03/81/808890381.db2.gz KQHBDNHZTRTUOY-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001274879366 808890389 /nfs/dbraw/zinc/89/03/89/808890389.db2.gz KQHBDNHZTRTUOY-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP CCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275107913 808909269 /nfs/dbraw/zinc/90/92/69/808909269.db2.gz IQLOVEJMIVQATA-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP CCCCCC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275124658 808912965 /nfs/dbraw/zinc/91/29/65/808912965.db2.gz DMBZGXBHDGZDSI-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198733 808921349 /nfs/dbraw/zinc/92/13/49/808921349.db2.gz CSPBZYMYGLUCGI-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198733 808921354 /nfs/dbraw/zinc/92/13/54/808921354.db2.gz CSPBZYMYGLUCGI-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198733 808921358 /nfs/dbraw/zinc/92/13/58/808921358.db2.gz CSPBZYMYGLUCGI-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[N@@H+]1CCc2ccc(Nc3ccc4[nH+]ccn4c3)cc2C1 ZINC001174280817 808929509 /nfs/dbraw/zinc/92/95/09/808929509.db2.gz XBQKXDBKRLOGHR-UHFFFAOYSA-N 2 1 278.359 3.066 20 0 CGADMP C[N@H+]1CCc2ccc(Nc3ccc4[nH+]ccn4c3)cc2C1 ZINC001174280817 808929515 /nfs/dbraw/zinc/92/95/15/808929515.db2.gz XBQKXDBKRLOGHR-UHFFFAOYSA-N 2 1 278.359 3.066 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc4ccoc4cn3)CC2)C1 ZINC001275505455 808942980 /nfs/dbraw/zinc/94/29/80/808942980.db2.gz LFBIQGNGPNTHHX-UHFFFAOYSA-N 2 1 299.418 3.136 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275806931 808967807 /nfs/dbraw/zinc/96/78/07/808967807.db2.gz WFMGMGDDYFPIIB-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275806931 808967810 /nfs/dbraw/zinc/96/78/10/808967810.db2.gz WFMGMGDDYFPIIB-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275806931 808967812 /nfs/dbraw/zinc/96/78/12/808967812.db2.gz WFMGMGDDYFPIIB-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP COc1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275806931 808967816 /nfs/dbraw/zinc/96/78/16/808967816.db2.gz WFMGMGDDYFPIIB-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276031388 808984311 /nfs/dbraw/zinc/98/43/11/808984311.db2.gz IOLUBEUFXXSAIW-RYRKJORJSA-N 2 1 276.468 3.373 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1cccc(Cl)c1)C2 ZINC001276703611 809024917 /nfs/dbraw/zinc/02/49/17/809024917.db2.gz PFOAOTHPZWJNHU-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1cccc(Cl)c1)C2 ZINC001276703611 809024923 /nfs/dbraw/zinc/02/49/23/809024923.db2.gz PFOAOTHPZWJNHU-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1cccc(Cl)c1)C2 ZINC001276703611 809024931 /nfs/dbraw/zinc/02/49/31/809024931.db2.gz PFOAOTHPZWJNHU-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1cccc(Cl)c1)C2 ZINC001276703611 809024938 /nfs/dbraw/zinc/02/49/38/809024938.db2.gz PFOAOTHPZWJNHU-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP Cc1cc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)cnc1C ZINC001276869772 809040917 /nfs/dbraw/zinc/04/09/17/809040917.db2.gz IEDNPIRNPDHMLO-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)cc(SC)c1 ZINC001277886900 809103021 /nfs/dbraw/zinc/10/30/21/809103021.db2.gz HACIOHWNQGCQOF-MQVJKMGUSA-N 2 1 290.476 3.432 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)cc(SC)c1 ZINC001277886900 809103026 /nfs/dbraw/zinc/10/30/26/809103026.db2.gz HACIOHWNQGCQOF-MQVJKMGUSA-N 2 1 290.476 3.432 20 0 CGADMP C1CC1[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277924040 809106235 /nfs/dbraw/zinc/10/62/35/809106235.db2.gz WMAYEBVQHPORSM-QGZVFWFLSA-N 2 1 262.441 3.269 20 0 CGADMP C1CC1[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277924040 809106239 /nfs/dbraw/zinc/10/62/39/809106239.db2.gz WMAYEBVQHPORSM-QGZVFWFLSA-N 2 1 262.441 3.269 20 0 CGADMP C1CC1[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277924040 809106243 /nfs/dbraw/zinc/10/62/43/809106243.db2.gz WMAYEBVQHPORSM-QGZVFWFLSA-N 2 1 262.441 3.269 20 0 CGADMP FCCCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278205346 809119652 /nfs/dbraw/zinc/11/96/52/809119652.db2.gz JBBBCUMCJWKIRU-QGZVFWFLSA-N 2 1 282.447 3.467 20 0 CGADMP FCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278205346 809119655 /nfs/dbraw/zinc/11/96/55/809119655.db2.gz JBBBCUMCJWKIRU-QGZVFWFLSA-N 2 1 282.447 3.467 20 0 CGADMP FCCCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278205346 809119658 /nfs/dbraw/zinc/11/96/58/809119658.db2.gz JBBBCUMCJWKIRU-QGZVFWFLSA-N 2 1 282.447 3.467 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001175202050 809306927 /nfs/dbraw/zinc/30/69/27/809306927.db2.gz ARLYLQJJTUVLPH-MSOLQXFVSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001175202050 809306932 /nfs/dbraw/zinc/30/69/32/809306932.db2.gz ARLYLQJJTUVLPH-MSOLQXFVSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001175202050 809306939 /nfs/dbraw/zinc/30/69/39/809306939.db2.gz ARLYLQJJTUVLPH-MSOLQXFVSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001177743019 809818337 /nfs/dbraw/zinc/81/83/37/809818337.db2.gz KCPLFBZJUWDKGM-KRWDZBQOSA-N 2 1 286.463 3.385 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2Cc2ccccc2)CC1(C)C ZINC001179800663 809946291 /nfs/dbraw/zinc/94/62/91/809946291.db2.gz WVIJKNVKXLNKHS-KSZLIROESA-N 2 1 286.463 3.328 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1 ZINC001179818416 809949074 /nfs/dbraw/zinc/94/90/74/809949074.db2.gz YGNAUVBZYYUCBQ-KZNAEPCWSA-N 2 1 272.436 3.069 20 0 CGADMP C[NH+]1CCC(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC001180462344 810004032 /nfs/dbraw/zinc/00/40/32/810004032.db2.gz JGPZHCDERGSTKN-UHFFFAOYSA-N 2 1 288.410 3.257 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)C2)cc1 ZINC001181349931 810048400 /nfs/dbraw/zinc/04/84/00/810048400.db2.gz OAYQLWHONYLMGJ-YDZRNGNQSA-N 2 1 284.447 3.287 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC001182153026 810096193 /nfs/dbraw/zinc/09/61/93/810096193.db2.gz WEBJVQXUBKBLOY-OWCLPIDISA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC001182153026 810096194 /nfs/dbraw/zinc/09/61/94/810096194.db2.gz WEBJVQXUBKBLOY-OWCLPIDISA-N 2 1 284.488 3.290 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC001182310065 810103911 /nfs/dbraw/zinc/10/39/11/810103911.db2.gz TZNBRZFLRTWWMA-QGZVFWFLSA-N 2 1 272.436 3.008 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC001182310065 810103915 /nfs/dbraw/zinc/10/39/15/810103915.db2.gz TZNBRZFLRTWWMA-QGZVFWFLSA-N 2 1 272.436 3.008 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001182910833 810130629 /nfs/dbraw/zinc/13/06/29/810130629.db2.gz QYEBDUFRAVXALM-IRXDYDNUSA-N 2 1 286.463 3.113 20 0 CGADMP C([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001182960864 810132105 /nfs/dbraw/zinc/13/21/05/810132105.db2.gz VUXUSOFCNZVPPQ-FZKCQIBNSA-N 2 1 262.441 3.029 20 0 CGADMP C([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001182960864 810132108 /nfs/dbraw/zinc/13/21/08/810132108.db2.gz VUXUSOFCNZVPPQ-FZKCQIBNSA-N 2 1 262.441 3.029 20 0 CGADMP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(O)c(F)c2F)CC1 ZINC001183410569 810148530 /nfs/dbraw/zinc/14/85/30/810148530.db2.gz STDXIOJEBMASAI-UHFFFAOYSA-N 2 1 298.377 3.023 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CC(C)(C)C1 ZINC001191259268 810694541 /nfs/dbraw/zinc/69/45/41/810694541.db2.gz VAJQAIMFAIJDAW-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CC(C)(C)C1 ZINC001191259268 810694535 /nfs/dbraw/zinc/69/45/35/810694535.db2.gz VAJQAIMFAIJDAW-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CC(C)(C)C1 ZINC001191259268 810694538 /nfs/dbraw/zinc/69/45/38/810694538.db2.gz VAJQAIMFAIJDAW-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC3CCC2CC3)CC1 ZINC001191407145 810711263 /nfs/dbraw/zinc/71/12/63/810711263.db2.gz FDCSMVOUQYOAOM-UYSNPLJNSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC3CCC2CC3)CC1 ZINC001191407145 810711268 /nfs/dbraw/zinc/71/12/68/810711268.db2.gz FDCSMVOUQYOAOM-UYSNPLJNSA-N 2 1 264.457 3.229 20 0 CGADMP CCCN(CC[NH+]1CCCC1)C[C@@H]1CCCC[N@H+]1C(C)C ZINC001194221603 811038958 /nfs/dbraw/zinc/03/89/58/811038958.db2.gz MCZRGQOMZXWTIR-SFHVURJKSA-N 2 1 295.515 3.057 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001196788497 811367758 /nfs/dbraw/zinc/36/77/58/811367758.db2.gz BQTITFBUQGYXGU-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001196788497 811367766 /nfs/dbraw/zinc/36/77/66/811367766.db2.gz BQTITFBUQGYXGU-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001196788497 811367773 /nfs/dbraw/zinc/36/77/73/811367773.db2.gz BQTITFBUQGYXGU-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2nccs2)c1 ZINC001199376786 811573676 /nfs/dbraw/zinc/57/36/76/811573676.db2.gz PDXZYPXGBNGDLC-UHFFFAOYSA-N 2 1 289.448 3.275 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1ccc(Cl)nc1)C(C)C ZINC001200923905 811768631 /nfs/dbraw/zinc/76/86/31/811768631.db2.gz VKZXFSVCMONGOG-UHFFFAOYSA-N 2 1 283.847 3.334 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001200970495 811776990 /nfs/dbraw/zinc/77/69/90/811776990.db2.gz AJFPKISCRJJGRG-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP C[NH+](C)CC1(C[NH2+]Cc2ccccc2F)CCCC1 ZINC001201928900 811976936 /nfs/dbraw/zinc/97/69/36/811976936.db2.gz HHISYFNKGMBOKX-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CC4)CC[C@H]3C2)cc1 ZINC001201976774 811988176 /nfs/dbraw/zinc/98/81/76/811988176.db2.gz PEGTULWNAOWXIQ-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CC4)CC[C@H]3C2)cc1 ZINC001201976774 811988179 /nfs/dbraw/zinc/98/81/79/811988179.db2.gz PEGTULWNAOWXIQ-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CC4)CC[C@H]3C2)cc1 ZINC001201976774 811988181 /nfs/dbraw/zinc/98/81/81/811988181.db2.gz PEGTULWNAOWXIQ-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](CC4CCC4)C[C@H]3C2)cc1 ZINC001202775243 812170634 /nfs/dbraw/zinc/17/06/34/812170634.db2.gz AURLBNKVPZCGNG-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC001202775243 812170641 /nfs/dbraw/zinc/17/06/41/812170641.db2.gz AURLBNKVPZCGNG-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC001202775243 812170646 /nfs/dbraw/zinc/17/06/46/812170646.db2.gz AURLBNKVPZCGNG-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001203744828 812448964 /nfs/dbraw/zinc/44/89/64/812448964.db2.gz KHOYSYGYMDDOEA-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001203744828 812448968 /nfs/dbraw/zinc/44/89/68/812448968.db2.gz KHOYSYGYMDDOEA-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC001203802811 812467690 /nfs/dbraw/zinc/46/76/90/812467690.db2.gz JUPFOLGWALJGHT-OLZOCXBDSA-N 2 1 299.245 3.377 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccnc4ccccc34)C[C@@H]2C1 ZINC001204089465 812547137 /nfs/dbraw/zinc/54/71/37/812547137.db2.gz CTISTMZXUJTHDN-IRXDYDNUSA-N 2 1 295.430 3.008 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001204194984 812571342 /nfs/dbraw/zinc/57/13/42/812571342.db2.gz DEIMOGYUQIEDCV-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)co1 ZINC001204243502 812584454 /nfs/dbraw/zinc/58/44/54/812584454.db2.gz WJBIPSXOVODYCS-MRXNPFEDSA-N 2 1 262.397 3.120 20 0 CGADMP c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)co1 ZINC001204243502 812584457 /nfs/dbraw/zinc/58/44/57/812584457.db2.gz WJBIPSXOVODYCS-MRXNPFEDSA-N 2 1 262.397 3.120 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001204691470 812709864 /nfs/dbraw/zinc/70/98/64/812709864.db2.gz GJKUNGJSZCWWPX-UHFFFAOYSA-N 2 1 276.399 3.037 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1F ZINC001204735040 812720477 /nfs/dbraw/zinc/72/04/77/812720477.db2.gz JWGNPUIMSQHZQY-UHFFFAOYSA-N 2 1 294.389 3.239 20 0 CGADMP Fc1cc(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001204734779 812720508 /nfs/dbraw/zinc/72/05/08/812720508.db2.gz DWWFIAKLHBJZBT-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP Fc1cc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001204734779 812720514 /nfs/dbraw/zinc/72/05/14/812720514.db2.gz DWWFIAKLHBJZBT-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204748745 812725465 /nfs/dbraw/zinc/72/54/65/812725465.db2.gz SVBBOHIPAACZNV-UHFFFAOYSA-N 2 1 289.467 3.278 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205009640 812823473 /nfs/dbraw/zinc/82/34/73/812823473.db2.gz ZUSYZTJJGGXTLE-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205009640 812823480 /nfs/dbraw/zinc/82/34/80/812823480.db2.gz ZUSYZTJJGGXTLE-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205088245 812854803 /nfs/dbraw/zinc/85/48/03/812854803.db2.gz MBWPZZXWJBWJHR-KSSFIOAISA-N 2 1 296.414 3.371 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205088245 812854808 /nfs/dbraw/zinc/85/48/08/812854808.db2.gz MBWPZZXWJBWJHR-KSSFIOAISA-N 2 1 296.414 3.371 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205110264 812871249 /nfs/dbraw/zinc/87/12/49/812871249.db2.gz QJHARRSDKLYRPT-QGZVFWFLSA-N 2 1 281.403 3.062 20 0 CGADMP COc1ccc2sc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc2c1 ZINC001205124268 812877153 /nfs/dbraw/zinc/87/71/53/812877153.db2.gz MTWHSDVFVHWVCM-CYBMUJFWSA-N 2 1 290.432 3.223 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150734 812887746 /nfs/dbraw/zinc/88/77/46/812887746.db2.gz JBKQSSBTOVQJGG-CMPLNLGQSA-N 2 1 287.234 3.328 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150734 812887751 /nfs/dbraw/zinc/88/77/51/812887751.db2.gz JBKQSSBTOVQJGG-CMPLNLGQSA-N 2 1 287.234 3.328 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205170801 812896582 /nfs/dbraw/zinc/89/65/82/812896582.db2.gz DVTYDEUGIAQSOW-IIDMSEBBSA-N 2 1 274.452 3.410 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264275 812922295 /nfs/dbraw/zinc/92/22/95/812922295.db2.gz ITKALZDACKMSAH-KRWDZBQOSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC001205272991 812924433 /nfs/dbraw/zinc/92/44/33/812924433.db2.gz BVRVLEDEQGURTJ-MRXNPFEDSA-N 2 1 258.365 3.136 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001205274672 812925782 /nfs/dbraw/zinc/92/57/82/812925782.db2.gz ZUELNLQJDJOJID-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205295856 812936158 /nfs/dbraw/zinc/93/61/58/812936158.db2.gz BTZVBMLWQFLVHW-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205295856 812936163 /nfs/dbraw/zinc/93/61/63/812936163.db2.gz BTZVBMLWQFLVHW-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC001205303359 812940912 /nfs/dbraw/zinc/94/09/12/812940912.db2.gz CVIHFSQDKONFNA-KXBFYZLASA-N 2 1 295.430 3.165 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C[C@@H]1C[NH3+] ZINC001205304679 812942174 /nfs/dbraw/zinc/94/21/74/812942174.db2.gz OXMAWNKFYYABDW-RYUDHWBXSA-N 2 1 291.826 3.238 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303641 812942309 /nfs/dbraw/zinc/94/23/09/812942309.db2.gz IXIRPSHKZVLWRY-HOCLYGCPSA-N 2 1 285.435 3.078 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCc2cccc(Cl)c2)CC1 ZINC001205537631 812997027 /nfs/dbraw/zinc/99/70/27/812997027.db2.gz ISQSHGBIGZHJCA-HNNXBMFYSA-N 2 1 284.806 3.035 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001205559427 813002455 /nfs/dbraw/zinc/00/24/55/813002455.db2.gz QLSVJNILASCGAK-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccn1 ZINC001205578452 813011155 /nfs/dbraw/zinc/01/11/55/813011155.db2.gz CFORDDZWASADRL-KRWDZBQOSA-N 2 1 293.430 3.032 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205604300 813019121 /nfs/dbraw/zinc/01/91/21/813019121.db2.gz USPMEDACYWLLAZ-CZUORRHYSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205604760 813021583 /nfs/dbraw/zinc/02/15/83/813021583.db2.gz WUCXUTQPGNCCPI-GXTWGEPZSA-N 2 1 298.833 3.328 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618026 813028282 /nfs/dbraw/zinc/02/82/82/813028282.db2.gz QTMRSDLCSJVUHN-DZGCQCFKSA-N 2 1 285.435 3.283 20 0 CGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Cl ZINC001205618523 813029056 /nfs/dbraw/zinc/02/90/56/813029056.db2.gz WVQKGUWBXGREBV-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)CC[C@@H]1C[NH3+] ZINC001205618961 813030777 /nfs/dbraw/zinc/03/07/77/813030777.db2.gz ZREMSIUPINKSED-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC[C@@H]1C[NH3+] ZINC001205627490 813033265 /nfs/dbraw/zinc/03/32/65/813033265.db2.gz PYTXNSZNQBMJGZ-FUHWJXTLSA-N 2 1 297.446 3.284 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205637814 813036216 /nfs/dbraw/zinc/03/62/16/813036216.db2.gz IYCIUDOGKLLULP-ZIAGYGMSSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1c(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1F ZINC001205638738 813038082 /nfs/dbraw/zinc/03/80/82/813038082.db2.gz RLBVLDNSGTUGOG-RISCZKNCSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205639178 813038998 /nfs/dbraw/zinc/03/89/98/813038998.db2.gz XAJDLXCFCUWIFO-UKRRQHHQSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])o1 ZINC001205806845 813089297 /nfs/dbraw/zinc/08/92/97/813089297.db2.gz WGDJLOIWDYZLBM-GUTXKFCHSA-N 2 1 264.413 3.141 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])o1 ZINC001205806845 813089306 /nfs/dbraw/zinc/08/93/06/813089306.db2.gz WGDJLOIWDYZLBM-GUTXKFCHSA-N 2 1 264.413 3.141 20 0 CGADMP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817833 813094432 /nfs/dbraw/zinc/09/44/32/813094432.db2.gz RNHIWJYXRNJOET-CXAGYDPISA-N 2 1 284.403 3.105 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817833 813094440 /nfs/dbraw/zinc/09/44/40/813094440.db2.gz RNHIWJYXRNJOET-CXAGYDPISA-N 2 1 284.403 3.105 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817833 813094449 /nfs/dbraw/zinc/09/44/49/813094449.db2.gz RNHIWJYXRNJOET-CXAGYDPISA-N 2 1 284.403 3.105 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)cc2c1 ZINC001205901052 813123257 /nfs/dbraw/zinc/12/32/57/813123257.db2.gz AWPFYKHGJOHUED-KBPBESRZSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205902193 813124570 /nfs/dbraw/zinc/12/45/70/813124570.db2.gz IJOJBPWKNABLPO-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)s1 ZINC001205903767 813126624 /nfs/dbraw/zinc/12/66/24/813126624.db2.gz QZIMNULYHNDRFT-QWHCGFSZSA-N 2 1 266.454 3.260 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1OC(C)(C)C ZINC001205912816 813129579 /nfs/dbraw/zinc/12/95/79/813129579.db2.gz CVDLIGYPWBZSDZ-GJZGRUSLSA-N 2 1 290.451 3.423 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001205912729 813129891 /nfs/dbraw/zinc/12/98/91/813129891.db2.gz BVOFHWBQLAHPPZ-HOCLYGCPSA-N 2 1 268.404 3.351 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205914827 813130995 /nfs/dbraw/zinc/13/09/95/813130995.db2.gz ODXMHCDBYYVIGM-ZBFHGGJFSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1OC(C)C ZINC001205916167 813132902 /nfs/dbraw/zinc/13/29/02/813132902.db2.gz SGMHDKUCEAPHHI-CVEARBPZSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923509 813135868 /nfs/dbraw/zinc/13/58/68/813135868.db2.gz OVDMKTWGRKTDHA-NWDGAFQWSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923509 813135872 /nfs/dbraw/zinc/13/58/72/813135872.db2.gz OVDMKTWGRKTDHA-NWDGAFQWSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c2ccccc12 ZINC001205930788 813137943 /nfs/dbraw/zinc/13/79/43/813137943.db2.gz DJHSONSOHVLFPW-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c2ccccc12 ZINC001205930788 813137945 /nfs/dbraw/zinc/13/79/45/813137945.db2.gz DJHSONSOHVLFPW-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001205940031 813142960 /nfs/dbraw/zinc/14/29/60/813142960.db2.gz YZFKTMWONSYGBD-MRXNPFEDSA-N 2 1 254.377 3.105 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205940031 813142964 /nfs/dbraw/zinc/14/29/64/813142964.db2.gz YZFKTMWONSYGBD-MRXNPFEDSA-N 2 1 254.377 3.105 20 0 CGADMP C[C@@H]1C[N@@H+](CCc2cccc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205984608 813151266 /nfs/dbraw/zinc/15/12/66/813151266.db2.gz SLMBDFOBLRWLIM-HIFRSBDPSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC001205982604 813151988 /nfs/dbraw/zinc/15/19/88/813151988.db2.gz MOGGEKKSNAKGDN-INMHGKMJSA-N 2 1 260.425 3.097 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205993150 813155229 /nfs/dbraw/zinc/15/52/29/813155229.db2.gz HKMZOJUHAMQBOV-ZFWWWQNUSA-N 2 1 278.465 3.215 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c2c1 ZINC001205996011 813157289 /nfs/dbraw/zinc/15/72/89/813157289.db2.gz TURADNKYDZJGRK-CABCVRRESA-N 2 1 285.435 3.283 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205994689 813157456 /nfs/dbraw/zinc/15/74/56/813157456.db2.gz LVJJIANVBFXLLR-UKRRQHHQSA-N 2 1 285.435 3.283 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003276 813160878 /nfs/dbraw/zinc/16/08/78/813160878.db2.gz GHRKOUCINIMDRZ-CVEARBPZSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cncc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206003451 813161030 /nfs/dbraw/zinc/16/10/30/813161030.db2.gz IECHKMCZUVLEBC-GJZGRUSLSA-N 2 1 283.419 3.042 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206004050 813161087 /nfs/dbraw/zinc/16/10/87/813161087.db2.gz PHWSDKCPHNLOSO-DOTOQJQBSA-N 2 1 290.451 3.281 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206005588 813162494 /nfs/dbraw/zinc/16/24/94/813162494.db2.gz YUEVMHHTDVAEPB-GDBMZVCRSA-N 2 1 260.425 3.056 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206011561 813163309 /nfs/dbraw/zinc/16/33/09/813163309.db2.gz DSYZYMKBPQTLMN-AAEUAGOBSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001206013600 813164633 /nfs/dbraw/zinc/16/46/33/813164633.db2.gz SRLIDKCAJJTVID-HIFRSBDPSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206022100 813168594 /nfs/dbraw/zinc/16/85/94/813168594.db2.gz BHOPTAKLYWCBDG-KBPBESRZSA-N 2 1 280.843 3.455 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1C ZINC001206028212 813171476 /nfs/dbraw/zinc/17/14/76/813171476.db2.gz XTQMSKPFLXBJGZ-DOTOQJQBSA-N 2 1 290.451 3.201 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCC2CCCCC2)CC[C@H]1F ZINC001206156257 813216704 /nfs/dbraw/zinc/21/67/04/813216704.db2.gz PMUHYGCVNWMHPV-CABCVRRESA-N 2 1 256.409 3.108 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCC2CCCCC2)CC[C@H]1F ZINC001206156257 813216711 /nfs/dbraw/zinc/21/67/11/813216711.db2.gz PMUHYGCVNWMHPV-CABCVRRESA-N 2 1 256.409 3.108 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206156695 813217302 /nfs/dbraw/zinc/21/73/02/813217302.db2.gz SCEBKBHKCQQZJP-SJORKVTESA-N 2 1 294.414 3.127 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)CC[C@@H]1F ZINC001206154122 813217324 /nfs/dbraw/zinc/21/73/24/813217324.db2.gz GQORKTCZAXUKEI-PVGHXWSTSA-N 2 1 294.458 3.354 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)CC[C@@H]1F ZINC001206154122 813217327 /nfs/dbraw/zinc/21/73/27/813217327.db2.gz GQORKTCZAXUKEI-PVGHXWSTSA-N 2 1 294.458 3.354 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccnc3)cc2)CC[C@@H]1F ZINC001206174247 813225856 /nfs/dbraw/zinc/22/58/56/813225856.db2.gz MUQCGJYPIUXMIR-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC[C@@H]1F ZINC001206174247 813225860 /nfs/dbraw/zinc/22/58/60/813225860.db2.gz MUQCGJYPIUXMIR-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206183084 813230098 /nfs/dbraw/zinc/23/00/98/813230098.db2.gz FLOWDJGUAOYGPO-IAGOWNOFSA-N 2 1 278.415 3.146 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)c1C ZINC001206182601 813230820 /nfs/dbraw/zinc/23/08/20/813230820.db2.gz CCCXUOLCGOSZFL-ROUUACIJSA-N 2 1 292.442 3.490 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)c1C ZINC001206182601 813230824 /nfs/dbraw/zinc/23/08/24/813230824.db2.gz CCCXUOLCGOSZFL-ROUUACIJSA-N 2 1 292.442 3.490 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccncc2)CC[C@@H]1F ZINC001206198618 813235844 /nfs/dbraw/zinc/23/58/44/813235844.db2.gz MZNTYRKEGATVJX-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccncc2)CC[C@@H]1F ZINC001206198618 813235848 /nfs/dbraw/zinc/23/58/48/813235848.db2.gz MZNTYRKEGATVJX-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206199704 813236034 /nfs/dbraw/zinc/23/60/34/813236034.db2.gz PCMNYDNXSQCOBH-HUUCEWRRSA-N 2 1 294.414 3.125 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206199704 813236037 /nfs/dbraw/zinc/23/60/37/813236037.db2.gz PCMNYDNXSQCOBH-HUUCEWRRSA-N 2 1 294.414 3.125 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001206303716 813280145 /nfs/dbraw/zinc/28/01/45/813280145.db2.gz GFBYEUYYGXPWCG-GOSISDBHSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c3ccccc23)CC1 ZINC001206304325 813280520 /nfs/dbraw/zinc/28/05/20/813280520.db2.gz IUHSHBDQKDABFA-IBGZPJMESA-N 2 1 298.430 3.496 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001206311552 813284432 /nfs/dbraw/zinc/28/44/32/813284432.db2.gz QNKZURMTARQYMV-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001206541870 813343447 /nfs/dbraw/zinc/34/34/47/813343447.db2.gz MFISAZGLAXEBAR-OAHLLOKOSA-N 2 1 266.816 3.291 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541384 813343533 /nfs/dbraw/zinc/34/35/33/813343533.db2.gz GYRKHNYDKRCVBF-FUHWJXTLSA-N 2 1 298.515 3.405 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC001206547046 813346379 /nfs/dbraw/zinc/34/63/79/813346379.db2.gz AXGSCSCHSPMSCJ-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC001206549438 813347685 /nfs/dbraw/zinc/34/76/85/813347685.db2.gz MYJXUMMKMSQWOR-SFHVURJKSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001206556661 813351656 /nfs/dbraw/zinc/35/16/56/813351656.db2.gz UXHWMPIABBFTQS-IBGZPJMESA-N 2 1 298.430 3.496 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3occc32)C1 ZINC001206574183 813359261 /nfs/dbraw/zinc/35/92/61/813359261.db2.gz QBBVSAHKQOVHNM-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP CCOc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1C ZINC001206573144 813359914 /nfs/dbraw/zinc/35/99/14/813359914.db2.gz IPALATODZAQLFQ-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP Cc1c(F)cccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206582929 813362478 /nfs/dbraw/zinc/36/24/78/813362478.db2.gz QFYCESZHZBPGHY-MRXNPFEDSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)[N@@H+](CCc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206582692 813362647 /nfs/dbraw/zinc/36/26/47/813362647.db2.gz OLCUIBDZSSTQPU-KRWDZBQOSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206590451 813366971 /nfs/dbraw/zinc/36/69/71/813366971.db2.gz MDHLWYWUQQBJJR-MRXNPFEDSA-N 2 1 290.451 3.362 20 0 CGADMP COc1cccc(C)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599748 813370253 /nfs/dbraw/zinc/37/02/53/813370253.db2.gz XBKYZSROWHXIDR-INIZCTEOSA-N 2 1 290.451 3.356 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206616057 813375267 /nfs/dbraw/zinc/37/52/67/813375267.db2.gz MYGKUGFPPUSYTK-ZDUSSCGKSA-N 2 1 296.842 3.300 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206616057 813375273 /nfs/dbraw/zinc/37/52/73/813375273.db2.gz MYGKUGFPPUSYTK-ZDUSSCGKSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc2c1 ZINC001206616871 813375636 /nfs/dbraw/zinc/37/56/36/813375636.db2.gz SLDVSBHBHRJSNC-CQSZACIVSA-N 2 1 271.408 3.037 20 0 CGADMP Cc1ccccc1-c1ccccc1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206730323 813410165 /nfs/dbraw/zinc/41/01/65/813410165.db2.gz RLRROUHOKVTTEF-UHFFFAOYSA-N 2 1 280.415 3.443 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206761322 813425490 /nfs/dbraw/zinc/42/54/90/813425490.db2.gz WWLOZTGXIVBBQY-OWCLPIDISA-N 2 1 284.488 3.013 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC001206771031 813432177 /nfs/dbraw/zinc/43/21/77/813432177.db2.gz VTARVSHIAUQQDK-OLZOCXBDSA-N 2 1 274.433 3.461 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206806609 813442115 /nfs/dbraw/zinc/44/21/15/813442115.db2.gz GYKDJNNKOMAJCC-LSDHHAIUSA-N 2 1 298.430 3.408 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001207000083 813463535 /nfs/dbraw/zinc/46/35/35/813463535.db2.gz UNCMBSUGOKPXRH-OICCZTGUSA-N 2 1 264.457 3.397 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001207285357 813537102 /nfs/dbraw/zinc/53/71/02/813537102.db2.gz HUJGQDUOIVCFDE-INIZCTEOSA-N 2 1 260.425 3.411 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CCc1cccc(Cl)c1 ZINC001207425452 813562777 /nfs/dbraw/zinc/56/27/77/813562777.db2.gz MTLCBRBKPRRIIK-UHFFFAOYSA-N 2 1 268.832 3.156 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208109540 813694590 /nfs/dbraw/zinc/69/45/90/813694590.db2.gz OCSOUBAOFOVDOZ-OAHLLOKOSA-N 2 1 290.451 3.420 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001208111255 813695115 /nfs/dbraw/zinc/69/51/15/813695115.db2.gz IQVMKYOUTPRRFC-HZPDHXFCSA-N 2 1 264.457 3.230 20 0 CGADMP CS[C@@H](C)CC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001208143625 813707822 /nfs/dbraw/zinc/70/78/22/813707822.db2.gz SOPKMMUSKNUXEE-HNNXBMFYSA-N 2 1 296.524 3.468 20 0 CGADMP CC[N@@H+](CC[C@@H](C)c1ccc(C)o1)CCn1ccnc1 ZINC001208164664 813719109 /nfs/dbraw/zinc/71/91/09/813719109.db2.gz AMWSZEGBLXVTPL-CQSZACIVSA-N 2 1 275.396 3.300 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C(C)(C)C)CC2)C1 ZINC001208604377 813771403 /nfs/dbraw/zinc/77/14/03/813771403.db2.gz NSJZBPBKVZDREU-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001208597099 813771411 /nfs/dbraw/zinc/77/14/11/813771411.db2.gz CPCVJACDXBXELN-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](CCC2CC2)CC3)c1 ZINC001208682975 813793212 /nfs/dbraw/zinc/79/32/12/813793212.db2.gz VXTIHWKPHDRYOS-UHFFFAOYSA-N 2 1 299.462 3.170 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=CC[N@H+](C)CC2)cc1 ZINC001208836958 813858644 /nfs/dbraw/zinc/85/86/44/813858644.db2.gz DQYJMCJQYGUBPA-UHFFFAOYSA-N 2 1 259.397 3.164 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=CC[N@@H+](C)CC2)cc1 ZINC001208836958 813858647 /nfs/dbraw/zinc/85/86/47/813858647.db2.gz DQYJMCJQYGUBPA-UHFFFAOYSA-N 2 1 259.397 3.164 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001209416791 814021174 /nfs/dbraw/zinc/02/11/74/814021174.db2.gz SNCROFKFXAFGFD-RDJZCZTQSA-N 2 1 288.435 3.224 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(F)ccc12 ZINC001209695193 814114474 /nfs/dbraw/zinc/11/44/74/814114474.db2.gz DZYJDYQOGSXSES-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP Nc1ccncc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001209727222 814122342 /nfs/dbraw/zinc/12/23/42/814122342.db2.gz KLKFQULPKYCPOE-QGZVFWFLSA-N 2 1 267.376 3.221 20 0 CGADMP Nc1cc[nH+]cc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001209727222 814122348 /nfs/dbraw/zinc/12/23/48/814122348.db2.gz KLKFQULPKYCPOE-QGZVFWFLSA-N 2 1 267.376 3.221 20 0 CGADMP COc1ccc2cc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)ccc2c1 ZINC001210473271 814477870 /nfs/dbraw/zinc/47/78/70/814477870.db2.gz CKNWETCIPDJWKR-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[NH2+][C@@H](C)CC3)ccc2c1 ZINC001210473271 814477871 /nfs/dbraw/zinc/47/78/71/814477871.db2.gz CKNWETCIPDJWKR-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210474994 814478788 /nfs/dbraw/zinc/47/87/88/814478788.db2.gz JZDWCFLWYJWFFH-OAHLLOKOSA-N 2 1 260.425 3.036 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210474994 814478791 /nfs/dbraw/zinc/47/87/91/814478791.db2.gz JZDWCFLWYJWFFH-OAHLLOKOSA-N 2 1 260.425 3.036 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210496829 814489637 /nfs/dbraw/zinc/48/96/37/814489637.db2.gz JXUJETGSLSACIY-OAHLLOKOSA-N 2 1 268.404 3.332 20 0 CGADMP CC[C@@H]([NH3+])C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC001210520366 814506325 /nfs/dbraw/zinc/50/63/25/814506325.db2.gz YNFOKKMYIMEHQG-OAHLLOKOSA-N 2 1 266.816 3.257 20 0 CGADMP C[NH2+]Cc1cccc(Nc2c(C)[nH+]c3ccccn32)c1F ZINC001216220072 815741492 /nfs/dbraw/zinc/74/14/92/815741492.db2.gz HNFBJDVFHANFNH-UHFFFAOYSA-N 2 1 284.338 3.245 20 0 CGADMP CC[C@@H](Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1)C(C)C ZINC001218440518 816214398 /nfs/dbraw/zinc/21/43/98/816214398.db2.gz LLMDBVSURCFNKF-GOSISDBHSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(C)c1F ZINC001222147880 816359294 /nfs/dbraw/zinc/35/92/94/816359294.db2.gz DFGHWOKJJMVJHA-QGZVFWFLSA-N 2 1 276.399 3.018 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(C)c1F ZINC001222147880 816359300 /nfs/dbraw/zinc/35/93/00/816359300.db2.gz DFGHWOKJJMVJHA-QGZVFWFLSA-N 2 1 276.399 3.018 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001222154102 816361073 /nfs/dbraw/zinc/36/10/73/816361073.db2.gz FNXCDFWFGQKQNT-QGZVFWFLSA-N 2 1 292.854 3.478 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001222154102 816361079 /nfs/dbraw/zinc/36/10/79/816361079.db2.gz FNXCDFWFGQKQNT-QGZVFWFLSA-N 2 1 292.854 3.478 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC001222149375 816361518 /nfs/dbraw/zinc/36/15/18/816361518.db2.gz XWFSPQFLQQIVGO-MRXNPFEDSA-N 2 1 278.465 3.276 20 0 CGADMP c1ccn(-c2ccccc2C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222254096 816387562 /nfs/dbraw/zinc/38/75/62/816387562.db2.gz VOMXAXIGGLVCDY-LJQANCHMSA-N 2 1 295.430 3.195 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222254096 816387571 /nfs/dbraw/zinc/38/75/71/816387571.db2.gz VOMXAXIGGLVCDY-LJQANCHMSA-N 2 1 295.430 3.195 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001222258935 816389724 /nfs/dbraw/zinc/38/97/24/816389724.db2.gz JDHAMLMTKYETIO-RCCFBDPRSA-N 2 1 276.468 3.444 20 0 CGADMP c1cc2cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccc2o1 ZINC001222265789 816391834 /nfs/dbraw/zinc/39/18/34/816391834.db2.gz YYJLPISRMJHNJI-GOSISDBHSA-N 2 1 284.403 3.398 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccc2o1 ZINC001222265789 816391841 /nfs/dbraw/zinc/39/18/41/816391841.db2.gz YYJLPISRMJHNJI-GOSISDBHSA-N 2 1 284.403 3.398 20 0 CGADMP c1ccc(C2(C[N@@H+]3CCC[C@@]4(CC[NH2+]4)C3)CCCC2)cc1 ZINC001222282672 816394937 /nfs/dbraw/zinc/39/49/37/816394937.db2.gz MCEYOXNFBVMRTN-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@@]4(CC[NH2+]4)C3)CCCC2)cc1 ZINC001222282672 816394945 /nfs/dbraw/zinc/39/49/45/816394945.db2.gz MCEYOXNFBVMRTN-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222308575 816403780 /nfs/dbraw/zinc/40/37/80/816403780.db2.gz JXDXWANBRQCEJG-INIZCTEOSA-N 2 1 278.827 3.448 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222308723 816403970 /nfs/dbraw/zinc/40/39/70/816403970.db2.gz LXUIFUXYBBDKOR-GOSISDBHSA-N 2 1 272.436 3.146 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222345247 816414260 /nfs/dbraw/zinc/41/42/60/816414260.db2.gz JXPIYGORNVZBJY-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222345247 816414264 /nfs/dbraw/zinc/41/42/64/816414264.db2.gz JXPIYGORNVZBJY-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620337 816479479 /nfs/dbraw/zinc/47/94/79/816479479.db2.gz NOJYWGJDJNGBKU-FUHWJXTLSA-N 2 1 296.414 3.032 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC001222620716 816480579 /nfs/dbraw/zinc/48/05/79/816480579.db2.gz YEZAOTZDZPMMNZ-XJKSGUPXSA-N 2 1 278.465 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@H](O[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224135353 816739802 /nfs/dbraw/zinc/73/98/02/816739802.db2.gz VHAHXNZKKKOIEA-ZWKOTPCHSA-N 2 1 290.451 3.179 20 0 CGADMP C[N@@H+](CCC(=O)c1ccccc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014886 818233409 /nfs/dbraw/zinc/23/34/09/818233409.db2.gz WHAFWOMGYHTIEZ-UHFFFAOYSA-N 2 1 293.370 3.268 20 0 CGADMP Cc1scnc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001232203964 818275191 /nfs/dbraw/zinc/27/51/91/818275191.db2.gz LXZFHXRWAIKSGJ-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1scnc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001232203964 818275194 /nfs/dbraw/zinc/27/51/94/818275194.db2.gz LXZFHXRWAIKSGJ-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3cccnc3s2)CC1 ZINC001233348288 818592471 /nfs/dbraw/zinc/59/24/71/818592471.db2.gz VDQPBWQNEFNRDE-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3cccnc3s2)CC1 ZINC001233348288 818592479 /nfs/dbraw/zinc/59/24/79/818592479.db2.gz VDQPBWQNEFNRDE-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235002819 818977215 /nfs/dbraw/zinc/97/72/15/818977215.db2.gz XNHQEEONNLOAGA-IBGZPJMESA-N 2 1 295.430 3.053 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235007354 818977894 /nfs/dbraw/zinc/97/78/94/818977894.db2.gz MLMJQOZKQFCSOT-MSOLQXFVSA-N 2 1 294.483 3.071 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235007357 818978232 /nfs/dbraw/zinc/97/82/32/818978232.db2.gz MLMJQOZKQFCSOT-ZWKOTPCHSA-N 2 1 294.483 3.071 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235007356 818979415 /nfs/dbraw/zinc/97/94/15/818979415.db2.gz MLMJQOZKQFCSOT-ROUUACIJSA-N 2 1 294.483 3.071 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235030757 818981940 /nfs/dbraw/zinc/98/19/40/818981940.db2.gz CDWZAIFPQUNNLY-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235030757 818981946 /nfs/dbraw/zinc/98/19/46/818981946.db2.gz CDWZAIFPQUNNLY-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1C ZINC001235041790 818987688 /nfs/dbraw/zinc/98/76/88/818987688.db2.gz STJMTYVRGZBRKD-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)s1 ZINC001235042294 818989126 /nfs/dbraw/zinc/98/91/26/818989126.db2.gz ADOHLJSTMWSDLH-INIZCTEOSA-N 2 1 278.465 3.419 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235093986 818999009 /nfs/dbraw/zinc/99/90/09/818999009.db2.gz VSWXMOMAEWZTKG-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP C[C@H](C[N@@H+]1CCCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001235126600 819011418 /nfs/dbraw/zinc/01/14/18/819011418.db2.gz USIKWJSXGCIBOJ-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001235126600 819011420 /nfs/dbraw/zinc/01/14/20/819011420.db2.gz USIKWJSXGCIBOJ-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC23CC[NH2+]CC3)c1C ZINC001235139959 819015011 /nfs/dbraw/zinc/01/50/11/819015011.db2.gz FNKICVGKHOHYNT-UHFFFAOYSA-N 2 1 258.409 3.021 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235184828 819027318 /nfs/dbraw/zinc/02/73/18/819027318.db2.gz OYAPKNGCULTRSU-MJGOQNOKSA-N 2 1 292.426 3.395 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189267 819029234 /nfs/dbraw/zinc/02/92/34/819029234.db2.gz FYJHBWRBSLJJRO-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190010 819030024 /nfs/dbraw/zinc/03/00/24/819030024.db2.gz RQKPKBYHVBHGHK-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC001235246129 819045801 /nfs/dbraw/zinc/04/58/01/819045801.db2.gz UVMHSFHJOLYWOC-IEBWSBKVSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC001235246129 819045807 /nfs/dbraw/zinc/04/58/07/819045807.db2.gz UVMHSFHJOLYWOC-IEBWSBKVSA-N 2 1 293.414 3.062 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254038 819051417 /nfs/dbraw/zinc/05/14/17/819051417.db2.gz APNQCZIKKZUHDO-LPHOPBHVSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254038 819051424 /nfs/dbraw/zinc/05/14/24/819051424.db2.gz APNQCZIKKZUHDO-LPHOPBHVSA-N 2 1 296.389 3.286 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1C ZINC001235266899 819058315 /nfs/dbraw/zinc/05/83/15/819058315.db2.gz HGWYXXVLYOWYLK-PKOBYXMFSA-N 2 1 286.463 3.413 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1C ZINC001235266893 819058383 /nfs/dbraw/zinc/05/83/83/819058383.db2.gz HGWYXXVLYOWYLK-HKUYNNGSSA-N 2 1 286.463 3.413 20 0 CGADMP Cc1cc(Cl)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235342110 819072440 /nfs/dbraw/zinc/07/24/40/819072440.db2.gz SSDAYRURPFJOQP-NSHDSACASA-N 2 1 299.245 3.343 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235341192 819072675 /nfs/dbraw/zinc/07/26/75/819072675.db2.gz OYNYQEXOEGLMSP-MRXNPFEDSA-N 2 1 286.463 3.416 20 0 CGADMP Fc1ccccc1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428991 819094770 /nfs/dbraw/zinc/09/47/70/819094770.db2.gz WBGHMSSIBZYNCZ-SJORKVTESA-N 2 1 290.426 3.080 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235429356 819095068 /nfs/dbraw/zinc/09/50/68/819095068.db2.gz XHOYMZHXZWQRAJ-MOPGFXCFSA-N 2 1 286.463 3.461 20 0 CGADMP Cc1ccc(F)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1Cl ZINC001235432892 819096204 /nfs/dbraw/zinc/09/62/04/819096204.db2.gz ADMMFYZOCYLTCO-UHFFFAOYSA-N 2 1 284.806 3.219 20 0 CGADMP Cc1c(C[N@@H+](C)CCC[NH3+])cccc1-c1ccccc1 ZINC001235435522 819098715 /nfs/dbraw/zinc/09/87/15/819098715.db2.gz NDGMCDGQKALCJQ-UHFFFAOYSA-N 2 1 268.404 3.443 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+](C)C3CC[NH2+]CC3)cc2)o1 ZINC001235467121 819106973 /nfs/dbraw/zinc/10/69/73/819106973.db2.gz VAMYOCXVTHXCRY-UHFFFAOYSA-N 2 1 284.403 3.439 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001235663513 819131945 /nfs/dbraw/zinc/13/19/45/819131945.db2.gz HYIOXINLVZFPJT-QGZVFWFLSA-N 2 1 272.436 3.256 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235672442 819133515 /nfs/dbraw/zinc/13/35/15/819133515.db2.gz DUXOCJMQERHQRW-SFHVURJKSA-N 2 1 274.452 3.460 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235675420 819135367 /nfs/dbraw/zinc/13/53/67/819135367.db2.gz XTLVGKKNKIFVPE-CYBMUJFWSA-N 2 1 274.433 3.380 20 0 CGADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001235680647 819140226 /nfs/dbraw/zinc/14/02/26/819140226.db2.gz VOBXFZYRBMUNQY-YOEHRIQHSA-N 2 1 276.399 3.352 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001235689129 819142242 /nfs/dbraw/zinc/14/22/42/819142242.db2.gz AKRWGSIDBBCXTO-AWDGRILASA-N 2 1 276.468 3.419 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001235691206 819142757 /nfs/dbraw/zinc/14/27/57/819142757.db2.gz RNELYCLNCCZQDH-CZVCLPBNSA-N 2 1 276.468 3.277 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235694811 819144366 /nfs/dbraw/zinc/14/43/66/819144366.db2.gz VIDLFYUBQPSMAQ-MRXNPFEDSA-N 2 1 264.457 3.421 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001235709811 819147307 /nfs/dbraw/zinc/14/73/07/819147307.db2.gz IGDJVVUJWBRFJI-MRXNPFEDSA-N 2 1 296.842 3.060 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711731 819148726 /nfs/dbraw/zinc/14/87/26/819148726.db2.gz UGLNMFBBBRMZRZ-ZBFHGGJFSA-N 2 1 290.838 3.129 20 0 CGADMP C[N@@H+](CCCc1ccc(F)cc1)CCC1CC[NH2+]CC1 ZINC001235712499 819148798 /nfs/dbraw/zinc/14/87/98/819148798.db2.gz BESUESRNKCODHS-UHFFFAOYSA-N 2 1 278.415 3.080 20 0 CGADMP Cc1c(F)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1F ZINC001235717356 819150405 /nfs/dbraw/zinc/15/04/05/819150405.db2.gz RSCIHKBIUIIIOV-UHFFFAOYSA-N 2 1 282.378 3.095 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1Cl ZINC001235716485 819150515 /nfs/dbraw/zinc/15/05/15/819150515.db2.gz FBTIWQQXVNBZOT-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP CCc1ccccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717665 819151771 /nfs/dbraw/zinc/15/17/71/819151771.db2.gz XPWCKPLCMHBEDA-UHFFFAOYSA-N 2 1 260.425 3.071 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2cccc3sccc32)CC1 ZINC001235724959 819153224 /nfs/dbraw/zinc/15/32/24/819153224.db2.gz FRPHAANZZNJCRB-UHFFFAOYSA-N 2 1 274.433 3.475 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1C)C1CC[NH2+]CC1 ZINC001235764949 819162915 /nfs/dbraw/zinc/16/29/15/819162915.db2.gz TZOYFBVDGIGGHR-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccsc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001235843088 819184966 /nfs/dbraw/zinc/18/49/66/819184966.db2.gz VJZNMHZNIPNMNL-OAHLLOKOSA-N 2 1 286.444 3.456 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2sc(C)nc2c1 ZINC001235857778 819188891 /nfs/dbraw/zinc/18/88/91/819188891.db2.gz KNIKRADNWFIEOL-UHFFFAOYSA-N 2 1 291.464 3.378 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2sc(C)nc2c1 ZINC001235857778 819188893 /nfs/dbraw/zinc/18/88/93/819188893.db2.gz KNIKRADNWFIEOL-UHFFFAOYSA-N 2 1 291.464 3.378 20 0 CGADMP Clc1cccc(Cl)c1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929742 819227468 /nfs/dbraw/zinc/22/74/68/819227468.db2.gz RTUPNDYTOATRIQ-RYUDHWBXSA-N 2 1 299.245 3.077 20 0 CGADMP Clc1cccc(Cl)c1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929742 819227477 /nfs/dbraw/zinc/22/74/77/819227477.db2.gz RTUPNDYTOATRIQ-RYUDHWBXSA-N 2 1 299.245 3.077 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235950289 819239581 /nfs/dbraw/zinc/23/95/81/819239581.db2.gz YWSLYLPMHZAXQL-GDBMZVCRSA-N 2 1 276.424 3.220 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001235949771 819239797 /nfs/dbraw/zinc/23/97/97/819239797.db2.gz SSTDZPYGBBBHMJ-OAHLLOKOSA-N 2 1 264.388 3.134 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001235949271 819240149 /nfs/dbraw/zinc/24/01/49/819240149.db2.gz BNEAWASCSWIXCM-RTBURBONSA-N 2 1 286.463 3.459 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001235949271 819240153 /nfs/dbraw/zinc/24/01/53/819240153.db2.gz BNEAWASCSWIXCM-RTBURBONSA-N 2 1 286.463 3.459 20 0 CGADMP C[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950612 819241642 /nfs/dbraw/zinc/24/16/42/819241642.db2.gz INZBXURJYBTOPS-UNEWFSDZSA-N 2 1 292.854 3.375 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235962882 819251096 /nfs/dbraw/zinc/25/10/96/819251096.db2.gz PQOFGIMNMUJTHV-UHFFFAOYSA-N 2 1 298.405 3.494 20 0 CGADMP c1ccc2c(c1)C[N@H+](C[C@H]1CC=CCC1)CC21CC[NH2+]CC1 ZINC001235975193 819255149 /nfs/dbraw/zinc/25/51/49/819255149.db2.gz ZBJOVYZXHCYRRH-KRWDZBQOSA-N 2 1 296.458 3.480 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981908 819257862 /nfs/dbraw/zinc/25/78/62/819257862.db2.gz SOVYZAMXIPDGGT-OALUTQOASA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981908 819257867 /nfs/dbraw/zinc/25/78/67/819257867.db2.gz SOVYZAMXIPDGGT-OALUTQOASA-N 2 1 278.399 3.277 20 0 CGADMP c1ccc(C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C2CC2)cc1 ZINC001235990878 819263023 /nfs/dbraw/zinc/26/30/23/819263023.db2.gz DNKFFJZZHCKRNL-UHFFFAOYSA-N 2 1 284.447 3.431 20 0 CGADMP Cc1c(F)ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1Cl ZINC001236008447 819272950 /nfs/dbraw/zinc/27/29/50/819272950.db2.gz FBDJYAJPKIMPNU-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059330 819291854 /nfs/dbraw/zinc/29/18/54/819291854.db2.gz FFCVJIJONUXVRH-IKGGRYGDSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059330 819291862 /nfs/dbraw/zinc/29/18/62/819291862.db2.gz FFCVJIJONUXVRH-IKGGRYGDSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236169562 819355054 /nfs/dbraw/zinc/35/50/54/819355054.db2.gz KTFNILPDRRMJFG-WMLDXEAASA-N 2 1 260.425 3.022 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236169562 819355060 /nfs/dbraw/zinc/35/50/60/819355060.db2.gz KTFNILPDRRMJFG-WMLDXEAASA-N 2 1 260.425 3.022 20 0 CGADMP CCC[N@@H+](Cc1cc(Cl)cc(OC)c1)C1CC[NH2+]CC1 ZINC001236181850 819359208 /nfs/dbraw/zinc/35/92/08/819359208.db2.gz HVARBNPYORFGGK-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP C[N@H+](Cc1cc(F)cc2cc[nH]c21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215432 819378887 /nfs/dbraw/zinc/37/88/87/819378887.db2.gz HZURCWXXMXYPHF-HUUCEWRRSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1cc(F)cc2cc[nH]c21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215432 819378892 /nfs/dbraw/zinc/37/88/92/819378892.db2.gz HZURCWXXMXYPHF-HUUCEWRRSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217385 819382504 /nfs/dbraw/zinc/38/25/04/819382504.db2.gz OSVZZEDBUGALGT-HKUYNNGSSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217385 819382510 /nfs/dbraw/zinc/38/25/10/819382510.db2.gz OSVZZEDBUGALGT-HKUYNNGSSA-N 2 1 295.430 3.450 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])s1 ZINC001236217591 819382584 /nfs/dbraw/zinc/38/25/84/819382584.db2.gz PJHCJEQKLLANHC-KGLIPLIRSA-N 2 1 252.427 3.012 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])s1 ZINC001236217591 819382592 /nfs/dbraw/zinc/38/25/92/819382592.db2.gz PJHCJEQKLLANHC-KGLIPLIRSA-N 2 1 252.427 3.012 20 0 CGADMP c1cc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2s1 ZINC001236322450 819424313 /nfs/dbraw/zinc/42/43/13/819424313.db2.gz XRNXNJAOVJGSBQ-IYBDPMFKSA-N 2 1 286.444 3.333 20 0 CGADMP COCC[N@H+](CC[C@@H](C)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001236329735 819427795 /nfs/dbraw/zinc/42/77/95/819427795.db2.gz STQBJSAWTZFNCM-CVEARBPZSA-N 2 1 284.488 3.149 20 0 CGADMP COCC[N@@H+](CC[C@@H](C)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001236329735 819427801 /nfs/dbraw/zinc/42/78/01/819427801.db2.gz STQBJSAWTZFNCM-CVEARBPZSA-N 2 1 284.488 3.149 20 0 CGADMP CCCCOc1ccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236407548 819454431 /nfs/dbraw/zinc/45/44/31/819454431.db2.gz GOBOCKHPGWAMJG-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](CC)C[C@@H]3CC[NH2+]C3)cc21 ZINC001236408895 819456749 /nfs/dbraw/zinc/45/67/49/819456749.db2.gz QDBZFOORGWUEIU-MRXNPFEDSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001236415425 819461415 /nfs/dbraw/zinc/46/14/15/819461415.db2.gz OCYUHBMZGFCIQC-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001236415425 819461419 /nfs/dbraw/zinc/46/14/19/819461419.db2.gz OCYUHBMZGFCIQC-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCC[NH2+]C1 ZINC001236471219 819491726 /nfs/dbraw/zinc/49/17/26/819491726.db2.gz XYBABDLQYGQOQA-GOSISDBHSA-N 2 1 297.446 3.440 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCC[NH2+]C1 ZINC001236471219 819491733 /nfs/dbraw/zinc/49/17/33/819491733.db2.gz XYBABDLQYGQOQA-GOSISDBHSA-N 2 1 297.446 3.440 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1cccc2ccoc21 ZINC001236739966 819588764 /nfs/dbraw/zinc/58/87/64/819588764.db2.gz HLMTYDXLYBWKPZ-UHFFFAOYSA-N 2 1 269.348 3.151 20 0 CGADMP CCC[N@H+](Cc1ccc(SC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236836944 819616884 /nfs/dbraw/zinc/61/68/84/819616884.db2.gz ZMPSYEALCPRXMM-HNNXBMFYSA-N 2 1 278.465 3.230 20 0 CGADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1Cl ZINC001236850955 819621632 /nfs/dbraw/zinc/62/16/32/819621632.db2.gz AOPWIOVQKILSTM-HIFRSBDPSA-N 2 1 278.827 3.032 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Cl ZINC001236850955 819621634 /nfs/dbraw/zinc/62/16/34/819621634.db2.gz AOPWIOVQKILSTM-HIFRSBDPSA-N 2 1 278.827 3.032 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Cl ZINC001236850955 819621637 /nfs/dbraw/zinc/62/16/37/819621637.db2.gz AOPWIOVQKILSTM-HIFRSBDPSA-N 2 1 278.827 3.032 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236949284 819638117 /nfs/dbraw/zinc/63/81/17/819638117.db2.gz HHOASPANAAUSLZ-SFHVURJKSA-N 2 1 274.452 3.460 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001237019692 819644726 /nfs/dbraw/zinc/64/47/26/819644726.db2.gz JYAJWIMKCPADLJ-AYBZRNKSSA-N 2 1 284.447 3.364 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001237019692 819644729 /nfs/dbraw/zinc/64/47/29/819644729.db2.gz JYAJWIMKCPADLJ-AYBZRNKSSA-N 2 1 284.447 3.364 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055724 819654390 /nfs/dbraw/zinc/65/43/90/819654390.db2.gz FJYKZHOBGNYGGO-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055724 819654395 /nfs/dbraw/zinc/65/43/95/819654395.db2.gz FJYKZHOBGNYGGO-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001237055672 819654734 /nfs/dbraw/zinc/65/47/34/819654734.db2.gz DJXRBFMQWVIFAS-INIZCTEOSA-N 2 1 274.433 3.462 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC001237250331 819710059 /nfs/dbraw/zinc/71/00/59/819710059.db2.gz VCQMDNJIIYIGHR-IBGZPJMESA-N 2 1 298.405 3.492 20 0 CGADMP CC(C)CC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274661 819714339 /nfs/dbraw/zinc/71/43/39/819714339.db2.gz DQNYWHDMXJKCLN-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382129 819737390 /nfs/dbraw/zinc/73/73/90/819737390.db2.gz LFPXWNYUNIZZGX-ZACQAIPSSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382129 819737392 /nfs/dbraw/zinc/73/73/92/819737392.db2.gz LFPXWNYUNIZZGX-ZACQAIPSSA-N 2 1 296.499 3.028 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237380706 819737592 /nfs/dbraw/zinc/73/75/92/819737592.db2.gz GYYMRYJRXOGXOD-KBMXLJTQSA-N 2 1 276.424 3.156 20 0 CGADMP Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237395621 819743076 /nfs/dbraw/zinc/74/30/76/819743076.db2.gz YGBGMGCJJILVRW-QAPCUYQASA-N 2 1 296.414 3.119 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237404049 819744653 /nfs/dbraw/zinc/74/46/53/819744653.db2.gz MXWNHPJWUWRTCR-MOPGFXCFSA-N 2 1 286.463 3.459 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237417170 819748118 /nfs/dbraw/zinc/74/81/18/819748118.db2.gz TUHQHFRHZCSKKP-RHSMWYFYSA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237417170 819748125 /nfs/dbraw/zinc/74/81/25/819748125.db2.gz TUHQHFRHZCSKKP-RHSMWYFYSA-N 2 1 276.399 3.016 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2c(F)cccc12 ZINC001237520816 819770389 /nfs/dbraw/zinc/77/03/89/819770389.db2.gz HBNPNQWPCLKMFM-UHFFFAOYSA-N 2 1 274.383 3.362 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001237737974 819829480 /nfs/dbraw/zinc/82/94/80/819829480.db2.gz LTKJJGAJRFCXDT-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP CC[N@H+](Cc1cccc2c[nH+]cn21)C1CCCCC1 ZINC001238102457 819932763 /nfs/dbraw/zinc/93/27/63/819932763.db2.gz CVWYWOQHSFMENR-UHFFFAOYSA-N 2 1 257.381 3.489 20 0 CGADMP CC[N@@H+](Cc1cccc2c[nH+]cn21)C1CCCCC1 ZINC001238102457 819932769 /nfs/dbraw/zinc/93/27/69/819932769.db2.gz CVWYWOQHSFMENR-UHFFFAOYSA-N 2 1 257.381 3.489 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCCC2(CCCC2)C1 ZINC001238105876 819936579 /nfs/dbraw/zinc/93/65/79/819936579.db2.gz FXNOTZMWCWVHIX-UHFFFAOYSA-N 2 1 269.392 3.491 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCCC2(CCCC2)C1 ZINC001238105876 819936582 /nfs/dbraw/zinc/93/65/82/819936582.db2.gz FXNOTZMWCWVHIX-UHFFFAOYSA-N 2 1 269.392 3.491 20 0 CGADMP c1[nH+]cn2c1cccc2C[NH+]1CCCCCCCC1 ZINC001238115204 819937902 /nfs/dbraw/zinc/93/79/02/819937902.db2.gz GCYVNSCDOPKJIQ-UHFFFAOYSA-N 2 1 257.381 3.491 20 0 CGADMP CCc1ccccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001239743579 820565731 /nfs/dbraw/zinc/56/57/31/820565731.db2.gz BURLBCLYXFXYCS-UHFFFAOYSA-N 2 1 277.371 3.251 20 0 CGADMP C[N@H+]1CCCC[C@H]1c1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240874854 821383563 /nfs/dbraw/zinc/38/35/63/821383563.db2.gz BWAHDEPXMQZGLH-KRWDZBQOSA-N 2 1 271.408 3.005 20 0 CGADMP C(c1ccc2c(c1)[nH]c1cc[nH+]cc12)=C1CC[NH2+]CC1 ZINC001240878661 821387389 /nfs/dbraw/zinc/38/73/89/821387389.db2.gz MMQPDWUQAFZNQJ-UHFFFAOYSA-N 2 1 263.344 3.483 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1cccc2c1CC[C@H]2[NH3+] ZINC001241250468 821672718 /nfs/dbraw/zinc/67/27/18/821672718.db2.gz KVEIQSNBZOBZDX-MRXNPFEDSA-N 2 1 267.376 3.069 20 0 CGADMP CC[NH+](CC)Cc1cc(OC)ccc1C1=CCC[N@@H+](C)C1 ZINC001241572404 821958524 /nfs/dbraw/zinc/95/85/24/821958524.db2.gz ZSNLJGKZMOHZNG-UHFFFAOYSA-N 2 1 288.435 3.256 20 0 CGADMP C[C@H]([NH3+])c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001241995607 822265354 /nfs/dbraw/zinc/26/53/54/822265354.db2.gz QXSXHSIKVVNLTQ-HNNXBMFYSA-N 2 1 296.414 3.206 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC001335441775 936145888 /nfs/dbraw/zinc/14/58/88/936145888.db2.gz TTXDSDFPEJYGFJ-GFCCVEGCSA-N 2 1 266.351 3.039 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001351987576 937030734 /nfs/dbraw/zinc/03/07/34/937030734.db2.gz OEFZOWGDOAGNNS-OAHLLOKOSA-N 2 1 296.405 3.217 20 0 CGADMP C[NH+]1CCC(C[N@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC001352065271 937034393 /nfs/dbraw/zinc/03/43/93/937034393.db2.gz RUOXHDYRHRHEJL-UHFFFAOYSA-N 2 1 288.435 3.001 20 0 CGADMP Clc1nccc2cc(C[NH2+]CCC[NH+]3CCC3)sc21 ZINC001354169060 937092716 /nfs/dbraw/zinc/09/27/16/937092716.db2.gz DHIZRAOCDJZDAI-UHFFFAOYSA-N 2 1 295.839 3.135 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2cccc(C(F)F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001354238699 937095707 /nfs/dbraw/zinc/09/57/07/937095707.db2.gz XXXCGRXMWXTMJN-QLFBSQMISA-N 2 1 294.389 3.490 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001351282274 926822499 /nfs/dbraw/zinc/82/24/99/926822499.db2.gz BYAZBMAYABEPDS-WCVJEAGWSA-N 2 1 264.457 3.275 20 0 CGADMP [NH3+]Cc1ccccc1CNc1[nH+]ccc2ccccc21 ZINC000168719070 927529473 /nfs/dbraw/zinc/52/94/73/927529473.db2.gz RLKIHEKCRGBNNQ-UHFFFAOYSA-N 2 1 263.344 3.306 20 0 CGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccn1 ZINC000766083668 928048293 /nfs/dbraw/zinc/04/82/93/928048293.db2.gz ZQGMEOPHVNYBOD-QGZVFWFLSA-N 2 1 275.440 3.241 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2scnc2C)C[C@H]1C ZINC001459613899 937493037 /nfs/dbraw/zinc/49/30/37/937493037.db2.gz OJOAZWFBYWTWSF-UKRRQHHQSA-N 2 1 295.496 3.189 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2scnc2C)C[C@H]1C ZINC001459613899 937493038 /nfs/dbraw/zinc/49/30/38/937493038.db2.gz OJOAZWFBYWTWSF-UKRRQHHQSA-N 2 1 295.496 3.189 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2scnc2C)C[C@H]1C ZINC001459613899 937493040 /nfs/dbraw/zinc/49/30/40/937493040.db2.gz OJOAZWFBYWTWSF-UKRRQHHQSA-N 2 1 295.496 3.189 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001460563642 937535579 /nfs/dbraw/zinc/53/55/79/937535579.db2.gz XZAIKEXSDUDOCK-PVAVHDDUSA-N 2 1 258.409 3.021 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCCCF)CC1 ZINC001460628549 937537688 /nfs/dbraw/zinc/53/76/88/937537688.db2.gz WIYHRGFHKDPUQQ-INIZCTEOSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@H](C[NH2+]Cc1cc(O)cc(Cl)c1)C[NH+]1CCCCC1 ZINC001461085765 937563475 /nfs/dbraw/zinc/56/34/75/937563475.db2.gz OSDXPBBHLSDSBR-CYBMUJFWSA-N 2 1 296.842 3.257 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC001461069380 937562222 /nfs/dbraw/zinc/56/22/22/937562222.db2.gz WOZLUBRFOWYUGC-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)C1CCC(C[NH2+]C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001461068411 937562313 /nfs/dbraw/zinc/56/23/13/937562313.db2.gz YUBOPNIPGQHHIZ-VMBOVVBDSA-N 2 1 266.473 3.379 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC001461120682 937564971 /nfs/dbraw/zinc/56/49/71/937564971.db2.gz KLJASDODNQFKPC-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461142897 937565995 /nfs/dbraw/zinc/56/59/95/937565995.db2.gz HQHBIBYMJGEACX-QAPCUYQASA-N 2 1 274.452 3.254 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461142897 937565996 /nfs/dbraw/zinc/56/59/96/937565996.db2.gz HQHBIBYMJGEACX-QAPCUYQASA-N 2 1 274.452 3.254 20 0 CGADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC001462103431 937618281 /nfs/dbraw/zinc/61/82/81/937618281.db2.gz ZUOYZWRMBMEONY-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCCc2ccccc2)C1 ZINC000382517927 932739798 /nfs/dbraw/zinc/73/97/98/932739798.db2.gz VEJMJYUKNALBPV-QGZVFWFLSA-N 2 1 260.425 3.070 20 0 CGADMP C[C@@H]([NH2+]CC1CC(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001334765989 932770721 /nfs/dbraw/zinc/77/07/21/932770721.db2.gz FJGVIUDGLWBRAO-GYTBAZASSA-N 2 1 264.457 3.275 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C12CCCC2 ZINC001462407347 937638427 /nfs/dbraw/zinc/63/84/27/937638427.db2.gz WINOYFQGBPBKKI-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC001307476741 932958406 /nfs/dbraw/zinc/95/84/06/932958406.db2.gz HEOWTOQNPWPTHX-MRXNPFEDSA-N 2 1 254.462 3.476 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC2CCC1CC2 ZINC001307595574 932974667 /nfs/dbraw/zinc/97/46/67/932974667.db2.gz QMLJNJWILHMSAM-OFLPRAFFSA-N 2 1 275.440 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC2CCC1CC2 ZINC001307595574 932974671 /nfs/dbraw/zinc/97/46/71/932974671.db2.gz QMLJNJWILHMSAM-OFLPRAFFSA-N 2 1 275.440 3.340 20 0 CGADMP CC(C)C[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001307734944 932993941 /nfs/dbraw/zinc/99/39/41/932993941.db2.gz AVAWUOMKFAXGPP-QRQLOZEOSA-N 2 1 286.463 3.485 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307734944 932993945 /nfs/dbraw/zinc/99/39/45/932993945.db2.gz AVAWUOMKFAXGPP-QRQLOZEOSA-N 2 1 286.463 3.485 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307734944 932993947 /nfs/dbraw/zinc/99/39/47/932993947.db2.gz AVAWUOMKFAXGPP-QRQLOZEOSA-N 2 1 286.463 3.485 20 0 CGADMP CC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001462565120 937650952 /nfs/dbraw/zinc/65/09/52/937650952.db2.gz NHDPSCHOWUCJRN-MJGOQNOKSA-N 2 1 284.447 3.240 20 0 CGADMP CC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001462565120 937650953 /nfs/dbraw/zinc/65/09/53/937650953.db2.gz NHDPSCHOWUCJRN-MJGOQNOKSA-N 2 1 284.447 3.240 20 0 CGADMP CC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001462565120 937650954 /nfs/dbraw/zinc/65/09/54/937650954.db2.gz NHDPSCHOWUCJRN-MJGOQNOKSA-N 2 1 284.447 3.240 20 0 CGADMP CC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001462565120 937650955 /nfs/dbraw/zinc/65/09/55/937650955.db2.gz NHDPSCHOWUCJRN-MJGOQNOKSA-N 2 1 284.447 3.240 20 0 CGADMP Cc1ccc(C)c(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001307978080 933029535 /nfs/dbraw/zinc/02/95/35/933029535.db2.gz INBCSMVAXGMUHY-QZTJIDSGSA-N 2 1 272.436 3.077 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC001308232301 933077469 /nfs/dbraw/zinc/07/74/69/933077469.db2.gz RLKGJHDETPKBFK-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CC[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001308261050 933083241 /nfs/dbraw/zinc/08/32/41/933083241.db2.gz PNMLJQPAUVUKCM-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC3CCC2CC3)CC1(C)C ZINC001308445585 933112607 /nfs/dbraw/zinc/11/26/07/933112607.db2.gz NDHJILNQTGJBAL-SSHXOBKSSA-N 2 1 264.457 3.275 20 0 CGADMP CCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001308477875 933117168 /nfs/dbraw/zinc/11/71/68/933117168.db2.gz BXVVLDRHLHWORO-LJQANCHMSA-N 2 1 286.463 3.461 20 0 CGADMP CCNc1ccccc1C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC001308601591 933140003 /nfs/dbraw/zinc/14/00/03/933140003.db2.gz UYGZHDJCNVBWFO-GDBMZVCRSA-N 2 1 275.440 3.033 20 0 CGADMP CCNc1ccccc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001308601591 933140006 /nfs/dbraw/zinc/14/00/06/933140006.db2.gz UYGZHDJCNVBWFO-GDBMZVCRSA-N 2 1 275.440 3.033 20 0 CGADMP CCNc1ccccc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001308601591 933140008 /nfs/dbraw/zinc/14/00/08/933140008.db2.gz UYGZHDJCNVBWFO-GDBMZVCRSA-N 2 1 275.440 3.033 20 0 CGADMP CCc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC)CC1)CCO2 ZINC001308667713 933153370 /nfs/dbraw/zinc/15/33/70/933153370.db2.gz JXRNTGJIZHWQGE-KRWDZBQOSA-N 2 1 288.435 3.147 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H](C)CC(C)C ZINC001308744174 933167976 /nfs/dbraw/zinc/16/79/76/933167976.db2.gz DADYRAGLIMWITB-INIZCTEOSA-N 2 1 254.462 3.476 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)cc1C ZINC001308745275 933168907 /nfs/dbraw/zinc/16/89/07/933168907.db2.gz UCMIYBBRUQBWIA-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP Cc1c(Cl)cccc1CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001308904792 933200862 /nfs/dbraw/zinc/20/08/62/933200862.db2.gz UQNBPVITLCODMQ-ZBFHGGJFSA-N 2 1 278.827 3.174 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1 ZINC001308980700 933219767 /nfs/dbraw/zinc/21/97/67/933219767.db2.gz BKZZGYAJTRTFPX-SZMVWBNQSA-N 2 1 290.451 3.227 20 0 CGADMP COc1cc(C)ccc1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001308984289 933221655 /nfs/dbraw/zinc/22/16/55/933221655.db2.gz MJDALTRAXWAYFF-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP COc1cc(C)ccc1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001308984289 933221657 /nfs/dbraw/zinc/22/16/57/933221657.db2.gz MJDALTRAXWAYFF-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1cc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC001308984245 933221735 /nfs/dbraw/zinc/22/17/35/933221735.db2.gz LXQJODPJKXCGCP-UHFFFAOYSA-N 2 1 266.454 3.409 20 0 CGADMP Cc1cc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC001308984245 933221736 /nfs/dbraw/zinc/22/17/36/933221736.db2.gz LXQJODPJKXCGCP-UHFFFAOYSA-N 2 1 266.454 3.409 20 0 CGADMP Cc1cc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(C)o1 ZINC001474755783 934156686 /nfs/dbraw/zinc/15/66/86/934156686.db2.gz RTXIXSJTKCSUKA-UHFFFAOYSA-N 2 1 264.413 3.249 20 0 CGADMP Cc1cc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(C)o1 ZINC001474755783 934156690 /nfs/dbraw/zinc/15/66/90/934156690.db2.gz RTXIXSJTKCSUKA-UHFFFAOYSA-N 2 1 264.413 3.249 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1 ZINC001474757097 934177405 /nfs/dbraw/zinc/17/74/05/934177405.db2.gz QBMQJEDJDFHDSP-CEXWTWQISA-N 2 1 286.463 3.282 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]2CCCC[C@H]2C1 ZINC001323904345 934436406 /nfs/dbraw/zinc/43/64/06/934436406.db2.gz NWHGHVQLUJWXMJ-IXDOHACOSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2CCCC[C@H]2C1 ZINC001323904345 934436411 /nfs/dbraw/zinc/43/64/11/934436411.db2.gz NWHGHVQLUJWXMJ-IXDOHACOSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001323904345 934436418 /nfs/dbraw/zinc/43/64/18/934436418.db2.gz NWHGHVQLUJWXMJ-IXDOHACOSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001324444639 934505166 /nfs/dbraw/zinc/50/51/66/934505166.db2.gz XACGJQZPPBDSGH-SJLPKXTDSA-N 2 1 274.452 3.246 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001324702201 934551741 /nfs/dbraw/zinc/55/17/41/934551741.db2.gz VJKLNYYJLNYRLB-FJIDUMEYSA-N 2 1 272.436 3.253 20 0 CGADMP Fc1cccc(Cl)c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001325279726 934900182 /nfs/dbraw/zinc/90/01/82/934900182.db2.gz YXCFATRBIDARPW-OLZOCXBDSA-N 2 1 296.817 3.238 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC001325724383 934925027 /nfs/dbraw/zinc/92/50/27/934925027.db2.gz WXWGZBOBVBVUMY-IAQYHMDHSA-N 2 1 270.367 3.250 20 0 CGADMP C[C@@H]([NH2+]CCc1c(F)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC001325745422 934927687 /nfs/dbraw/zinc/92/76/87/934927687.db2.gz YSCKNHLYQZLTIN-ABAIWWIYSA-N 2 1 284.806 3.142 20 0 CGADMP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1cc(Cl)ccc1OC ZINC001326036410 934946142 /nfs/dbraw/zinc/94/61/42/934946142.db2.gz QZFRTXRFNAONRH-FZMZJTMJSA-N 2 1 284.831 3.387 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CCCC3CCCC3)C[C@]2(C)C1 ZINC001473689775 937817405 /nfs/dbraw/zinc/81/74/05/937817405.db2.gz NVIFMEACQYMWSO-IRXDYDNUSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c2ccsc21 ZINC001327643627 935075414 /nfs/dbraw/zinc/07/54/14/935075414.db2.gz UYJJENNYJRBNHJ-SMDDNHRTSA-N 2 1 275.421 3.003 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001327754756 935083282 /nfs/dbraw/zinc/08/32/82/935083282.db2.gz JIEMSRRNNVPDFM-LBPRGKRZSA-N 2 1 264.438 3.331 20 0 CGADMP CC[N@H+]1CCC[C@H](CNc2ccnc3ccsc32)C1 ZINC001328492318 935143226 /nfs/dbraw/zinc/14/32/26/935143226.db2.gz RSWJQFGRTNFOPD-GFCCVEGCSA-N 2 1 275.421 3.440 20 0 CGADMP CC[N@@H+]1CCC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC001328492318 935143228 /nfs/dbraw/zinc/14/32/28/935143228.db2.gz RSWJQFGRTNFOPD-GFCCVEGCSA-N 2 1 275.421 3.440 20 0 CGADMP CC[N@H+]1CCC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC001328492318 935143231 /nfs/dbraw/zinc/14/32/31/935143231.db2.gz RSWJQFGRTNFOPD-GFCCVEGCSA-N 2 1 275.421 3.440 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCC[C@@H](C)[NH+](C)C ZINC001328587540 935149995 /nfs/dbraw/zinc/14/99/95/935149995.db2.gz VEVBNMMMOYPWQE-CYBMUJFWSA-N 2 1 257.381 3.295 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])Cc1cc(C(C)(C)C)n[nH]1 ZINC001328772122 935167913 /nfs/dbraw/zinc/16/79/13/935167913.db2.gz OGNWJIIQVHJTSH-UHFFFAOYSA-N 2 1 280.460 3.048 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC001329023774 935179382 /nfs/dbraw/zinc/17/93/82/935179382.db2.gz NUZJEEDDRKGUAE-MNOVXSKESA-N 2 1 283.485 3.398 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC001329068961 935183172 /nfs/dbraw/zinc/18/31/72/935183172.db2.gz WIHOJYANUXIIKX-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001330327696 935286362 /nfs/dbraw/zinc/28/63/62/935286362.db2.gz KQLGZFGZMNPPIR-IBGZPJMESA-N 2 1 295.430 3.465 20 0 CGADMP C(=C\C[N@H+]1CC2CCC1CC2)\C[NH+]1CC2CCC1CC2 ZINC001330545425 935294825 /nfs/dbraw/zinc/29/48/25/935294825.db2.gz VBDXNYUSWRASGC-UPHRSURJSA-N 2 1 274.452 3.291 20 0 CGADMP C(CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)CC1CCOCC1 ZINC001332423785 935468377 /nfs/dbraw/zinc/46/83/77/935468377.db2.gz FZWVKHGPHNIKRR-UHFFFAOYSA-N 2 1 294.483 3.049 20 0 CGADMP C[C@H]1C[N@@H+](CC2CC3(CCC3)C2)CCN1c1cc[nH+]cc1 ZINC001473760027 937821101 /nfs/dbraw/zinc/82/11/01/937821101.db2.gz VGPVMXPERCPBOV-HNNXBMFYSA-N 2 1 285.435 3.172 20 0 CGADMP Cc1ncsc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC001473936555 937831541 /nfs/dbraw/zinc/83/15/41/937831541.db2.gz ALORCJCELDFVNB-ZDUSSCGKSA-N 2 1 281.469 3.196 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC001473936348 937831596 /nfs/dbraw/zinc/83/15/96/937831596.db2.gz RTCYZLKVBDZUBP-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)ccc1F ZINC001473948932 937831871 /nfs/dbraw/zinc/83/18/71/937831871.db2.gz DYSVTHLTNQNTPE-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP COc1cc(C)ccc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001474108940 937841039 /nfs/dbraw/zinc/84/10/39/937841039.db2.gz LORYHQMDNDQYJG-MRXNPFEDSA-N 2 1 290.451 3.358 20 0 CGADMP CC(C)C1(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC001474348471 937853387 /nfs/dbraw/zinc/85/33/87/937853387.db2.gz ITMPHOSLRCVJRB-MRXNPFEDSA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)C1(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC001474348471 937853389 /nfs/dbraw/zinc/85/33/89/937853389.db2.gz ITMPHOSLRCVJRB-MRXNPFEDSA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)C1(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC001474348471 937853391 /nfs/dbraw/zinc/85/33/91/937853391.db2.gz ITMPHOSLRCVJRB-MRXNPFEDSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cc[nH+]cc1 ZINC001515203436 938004944 /nfs/dbraw/zinc/00/49/44/938004944.db2.gz CNCUTFLMHIJKJA-INIZCTEOSA-N 2 1 281.403 3.182 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001549035240 938154497 /nfs/dbraw/zinc/15/44/97/938154497.db2.gz JJIGEPOCUVVAJK-JEVOJNTISA-N 2 1 286.463 3.356 20 0 CGADMP C[C@H]([NH2+][C@H]1[C@@H](c2ccccc2)C1(C)C)c1c[nH+]ccc1N ZINC001549711813 938158907 /nfs/dbraw/zinc/15/89/07/938158907.db2.gz RENGAMTUXBWKNW-VUCTXSBTSA-N 2 1 281.403 3.337 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccncc2)C2CCC2)CC1(C)C ZINC001550242724 938164546 /nfs/dbraw/zinc/16/45/46/938164546.db2.gz SUNFTDKQQLXZMJ-IRXDYDNUSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H](c2ccncc2)C2CCC2)CC1(C)C ZINC001550242725 938164639 /nfs/dbraw/zinc/16/46/39/938164639.db2.gz SUNFTDKQQLXZMJ-SJORKVTESA-N 2 1 287.451 3.385 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001550511974 938167021 /nfs/dbraw/zinc/16/70/21/938167021.db2.gz OMUZDIVFHNCEER-BSWVEEBUSA-N 2 1 286.463 3.356 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001550541133 938167441 /nfs/dbraw/zinc/16/74/41/938167441.db2.gz QVXHTPUNNLQIJK-KBPBESRZSA-N 2 1 298.352 3.089 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001550541133 938167442 /nfs/dbraw/zinc/16/74/42/938167442.db2.gz QVXHTPUNNLQIJK-KBPBESRZSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001550541133 938167443 /nfs/dbraw/zinc/16/74/43/938167443.db2.gz QVXHTPUNNLQIJK-KBPBESRZSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001550541133 938167444 /nfs/dbraw/zinc/16/74/44/938167444.db2.gz QVXHTPUNNLQIJK-KBPBESRZSA-N 2 1 298.352 3.089 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC001550541134 938167638 /nfs/dbraw/zinc/16/76/38/938167638.db2.gz QVXHTPUNNLQIJK-UONOGXRCSA-N 2 1 298.352 3.089 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC001550541134 938167639 /nfs/dbraw/zinc/16/76/39/938167639.db2.gz QVXHTPUNNLQIJK-UONOGXRCSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC001550541134 938167640 /nfs/dbraw/zinc/16/76/40/938167640.db2.gz QVXHTPUNNLQIJK-UONOGXRCSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC001550541134 938167641 /nfs/dbraw/zinc/16/76/41/938167641.db2.gz QVXHTPUNNLQIJK-UONOGXRCSA-N 2 1 298.352 3.089 20 0 CGADMP FC(F)(F)[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552312439 938190987 /nfs/dbraw/zinc/19/09/87/938190987.db2.gz OAQXHVZMNUFWMZ-BARDWOONSA-N 2 1 298.352 3.268 20 0 CGADMP C[N@@H+](C[C@H]1CC[C@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001552412558 938191795 /nfs/dbraw/zinc/19/17/95/938191795.db2.gz OQVQPYLJOVNYLK-RDJZCZTQSA-N 2 1 272.436 3.254 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC001553025723 938196020 /nfs/dbraw/zinc/19/60/20/938196020.db2.gz HYORLGUOZSBUJR-MQBCKMQZSA-N 2 1 288.410 3.336 20 0 CGADMP Cc1nc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001559078163 938219912 /nfs/dbraw/zinc/21/99/12/938219912.db2.gz WBNSGKWBLCWMOI-SJKOYZFVSA-N 2 1 290.455 3.324 20 0 CGADMP Cc1cc(NCCC2CC[NH+](C(C)C)CC2)nc(C)[nH+]1 ZINC001559248304 938223580 /nfs/dbraw/zinc/22/35/80/938223580.db2.gz ODKLMUJNMRRYSD-UHFFFAOYSA-N 2 1 276.428 3.016 20 0 CGADMP c1cc(N2CCC[N@H+](CCC3CCCC3)CC2)cc[nH+]1 ZINC001559943866 938239742 /nfs/dbraw/zinc/23/97/42/938239742.db2.gz YYCDGCXAUYGXQR-UHFFFAOYSA-N 2 1 273.424 3.174 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2ccccc2C(C)(C)C1 ZINC001559990316 938241050 /nfs/dbraw/zinc/24/10/50/938241050.db2.gz MHHXQDZXRLNHKR-KRWDZBQOSA-N 2 1 286.463 3.307 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001559990316 938241051 /nfs/dbraw/zinc/24/10/51/938241051.db2.gz MHHXQDZXRLNHKR-KRWDZBQOSA-N 2 1 286.463 3.307 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC001559990316 938241052 /nfs/dbraw/zinc/24/10/52/938241052.db2.gz MHHXQDZXRLNHKR-KRWDZBQOSA-N 2 1 286.463 3.307 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001560268165 938250399 /nfs/dbraw/zinc/25/03/99/938250399.db2.gz XOHMJTNYKAZIGI-YJBOKZPZSA-N 2 1 290.451 3.184 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2cccc(F)c2)CC1 ZINC001560343988 938254148 /nfs/dbraw/zinc/25/41/48/938254148.db2.gz FFNNQPTWJQBGKO-UHFFFAOYSA-N 2 1 299.393 3.108 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001560370711 938255754 /nfs/dbraw/zinc/25/57/54/938255754.db2.gz UGECCHKMKXKNFM-VQFNDLOPSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1cc(C)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1C ZINC001560500244 938260792 /nfs/dbraw/zinc/26/07/92/938260792.db2.gz HPDWVMUDEGGUGE-QGZVFWFLSA-N 2 1 274.452 3.433 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc2scnc2c1 ZINC001560524068 938261525 /nfs/dbraw/zinc/26/15/25/938261525.db2.gz YDNJBHBBAAUYSH-UHFFFAOYSA-N 2 1 291.464 3.364 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2scnc2c1 ZINC001560524068 938261526 /nfs/dbraw/zinc/26/15/26/938261526.db2.gz YDNJBHBBAAUYSH-UHFFFAOYSA-N 2 1 291.464 3.364 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@H]1CNC/C=C\c1cccc(F)c1 ZINC001560531157 938262022 /nfs/dbraw/zinc/26/20/22/938262022.db2.gz VUNKOPSGYZIUPS-WRLNGNIRSA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC/C=C\c1cccc(F)c1 ZINC001560531157 938262024 /nfs/dbraw/zinc/26/20/24/938262024.db2.gz VUNKOPSGYZIUPS-WRLNGNIRSA-N 2 1 276.399 3.301 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCCC(C)(C)CC2)CC1(C)C ZINC001560556999 938262910 /nfs/dbraw/zinc/26/29/10/938262910.db2.gz AJQLAMYEALMAGX-CRAIPNDOSA-N 2 1 296.499 3.170 20 0 CGADMP CCCCO[C@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1(C)C ZINC001560803504 938276879 /nfs/dbraw/zinc/27/68/79/938276879.db2.gz YKVULRFUTJYKHL-PMPSAXMXSA-N 2 1 284.488 3.290 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039043 938291101 /nfs/dbraw/zinc/29/11/01/938291101.db2.gz HIGUVTAOWBSACN-CVEARBPZSA-N 2 1 266.473 3.498 20 0 CGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001561052741 938292421 /nfs/dbraw/zinc/29/24/21/938292421.db2.gz KCUQNKIDGUZASR-SOUVJXGZSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC001577419458 960480647 /nfs/dbraw/zinc/48/06/47/960480647.db2.gz SGCJLZOKZWHYLH-ZWKOTPCHSA-N 2 1 295.515 3.010 20 0 CGADMP CC(C)(C)OCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001575249364 962357315 /nfs/dbraw/zinc/35/73/15/962357315.db2.gz IODWJICAEPQDIY-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC001575655479 962412467 /nfs/dbraw/zinc/41/24/67/962412467.db2.gz LFMQRUCOYQOEEK-MRXNPFEDSA-N 2 1 262.441 3.348 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001576117313 962437240 /nfs/dbraw/zinc/43/72/40/962437240.db2.gz MISJQDWPFSSYRA-TUUVXOQKSA-N 2 1 294.389 3.095 20 0 CGADMP CC1(C)CCC(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001576409743 962458843 /nfs/dbraw/zinc/45/88/43/962458843.db2.gz MVHRIWCVZDAUNE-GOEBONIOSA-N 2 1 250.430 3.016 20 0 CGADMP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001576435031 962461430 /nfs/dbraw/zinc/46/14/30/962461430.db2.gz OHVJGBJXUNUNNE-ZBFHGGJFSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC1CCCCCC1 ZINC001576748016 962488705 /nfs/dbraw/zinc/48/87/05/962488705.db2.gz GHSRHAUCSBJXNH-YCPHGPKFSA-N 2 1 252.446 3.323 20 0 CGADMP CC[C@H]1C[N@@H+](CCC2C[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC001577279683 962523919 /nfs/dbraw/zinc/52/39/19/962523919.db2.gz NSXSKRKTJMGKMM-WMZOPIPTSA-N 2 1 272.436 3.112 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC001577375383 962536039 /nfs/dbraw/zinc/53/60/39/962536039.db2.gz YFIHPLDSIVSMGP-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC001577462851 962541760 /nfs/dbraw/zinc/54/17/60/962541760.db2.gz COFIHKKSHXSNKW-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCC[NH2+]C1 ZINC001577526669 962556743 /nfs/dbraw/zinc/55/67/43/962556743.db2.gz BERRMLAYELDCGA-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1F ZINC001578234423 962573542 /nfs/dbraw/zinc/57/35/42/962573542.db2.gz ZDFDYCWAEOJQQB-RRFJBIMHSA-N 2 1 262.372 3.136 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001578290203 962581175 /nfs/dbraw/zinc/58/11/75/962581175.db2.gz SVUOIUNQPAJHOJ-UHFFFAOYSA-N 2 1 289.467 3.199 20 0 CGADMP COC1(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC1 ZINC001578926344 962605861 /nfs/dbraw/zinc/60/58/61/962605861.db2.gz FMZNPIDUNVJEHG-IRXDYDNUSA-N 2 1 288.435 3.029 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001579175638 962614606 /nfs/dbraw/zinc/61/46/06/962614606.db2.gz GYMTVJYDTDTOAJ-CJNGLKHVSA-N 2 1 284.403 3.018 20 0 CGADMP COc1cccc(C[N@@H+](CC(C)C)CC(C)(C)C[NH3+])c1 ZINC001579273901 962622776 /nfs/dbraw/zinc/62/27/76/962622776.db2.gz IVANXUDTUKUEEZ-UHFFFAOYSA-N 2 1 278.440 3.138 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H](C[NH3+])C2CCCC2)c(C)c1 ZINC001579576504 962640479 /nfs/dbraw/zinc/64/04/79/962640479.db2.gz VHDOCZDHHQJBBJ-QGZVFWFLSA-N 2 1 260.425 3.219 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](Cc3cc(C(C)(C)[NH3+])no3)C2)cc1 ZINC001579678103 962655620 /nfs/dbraw/zinc/65/56/20/962655620.db2.gz IBUOQJIUNJRLCL-OAHLLOKOSA-N 2 1 299.418 3.166 20 0 CGADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)sc1C ZINC001579857792 962677612 /nfs/dbraw/zinc/67/76/12/962677612.db2.gz OZIPEWDHRFHIRH-CQSZACIVSA-N 2 1 293.480 3.243 20 0 CGADMP Cc1nc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)sc1C ZINC001579857792 962677620 /nfs/dbraw/zinc/67/76/20/962677620.db2.gz OZIPEWDHRFHIRH-CQSZACIVSA-N 2 1 293.480 3.243 20 0 CGADMP Cc1scc(C[NH2+][C@](C)(C[NH3+])CC(C)C)c1C ZINC001579936901 962679909 /nfs/dbraw/zinc/67/99/09/962679909.db2.gz DDQXZMZYBVEDSZ-AWEZNQCLSA-N 2 1 254.443 3.218 20 0 CGADMP Fc1ccccc1C=C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001580034426 962684715 /nfs/dbraw/zinc/68/47/15/962684715.db2.gz LVDAVWJONNTBKY-MRXNPFEDSA-N 2 1 288.410 3.305 20 0 CGADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001580331200 962714431 /nfs/dbraw/zinc/71/44/31/962714431.db2.gz GUFCZCXCODVBLF-BFYDXBDKSA-N 2 1 258.409 3.199 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001580342721 962714905 /nfs/dbraw/zinc/71/49/05/962714905.db2.gz DYSXXJHPXFSBPI-SFHVURJKSA-N 2 1 298.405 3.349 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Cc2ccccc2)C1 ZINC000124354432 187133903 /nfs/dbraw/zinc/13/39/03/187133903.db2.gz WUMKMGQBZCNGIR-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124354432 187133904 /nfs/dbraw/zinc/13/39/04/187133904.db2.gz WUMKMGQBZCNGIR-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124354432 187133905 /nfs/dbraw/zinc/13/39/05/187133905.db2.gz WUMKMGQBZCNGIR-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000589838145 346813646 /nfs/dbraw/zinc/81/36/46/346813646.db2.gz UQDNNFLSQKXUTG-ZWKOTPCHSA-N 2 1 272.436 3.356 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000589838145 346813651 /nfs/dbraw/zinc/81/36/51/346813651.db2.gz UQDNNFLSQKXUTG-ZWKOTPCHSA-N 2 1 272.436 3.356 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000651228851 398219155 /nfs/dbraw/zinc/21/91/55/398219155.db2.gz MEEYOGQYLPCYFX-GDBMZVCRSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000096088699 185094279 /nfs/dbraw/zinc/09/42/79/185094279.db2.gz IUFMDLLUTGTYFZ-UHFFFAOYSA-N 2 1 278.827 3.258 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000621563360 349546771 /nfs/dbraw/zinc/54/67/71/349546771.db2.gz QXZFMURMGWENLX-GOSISDBHSA-N 2 1 274.452 3.461 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2CCC3)C1 ZINC000651647118 398261580 /nfs/dbraw/zinc/26/15/80/398261580.db2.gz BCMDWHVQDBELLA-QGZVFWFLSA-N 2 1 298.474 3.339 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651688651 398269727 /nfs/dbraw/zinc/26/97/27/398269727.db2.gz SCYWOHJHSNHSRC-UHFFFAOYSA-N 2 1 287.407 3.182 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651693529 398270158 /nfs/dbraw/zinc/27/01/58/398270158.db2.gz RYXKDOPQWPVCIG-ZDUSSCGKSA-N 2 1 293.773 3.261 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1csc3ccccc13)C2 ZINC000621782116 349585463 /nfs/dbraw/zinc/58/54/63/349585463.db2.gz MQXLSWKTHGJQSD-BBRMVZONSA-N 2 1 272.417 3.215 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1csc3ccccc13)C2 ZINC000621782116 349585465 /nfs/dbraw/zinc/58/54/65/349585465.db2.gz MQXLSWKTHGJQSD-BBRMVZONSA-N 2 1 272.417 3.215 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000337740236 214241417 /nfs/dbraw/zinc/24/14/17/214241417.db2.gz CMOTZQNHQICZFD-OAHLLOKOSA-N 2 1 298.883 3.493 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725007 398276393 /nfs/dbraw/zinc/27/63/93/398276393.db2.gz PPTQITSWYOGGLF-PNRVRQOCSA-N 2 1 282.472 3.043 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725007 398276396 /nfs/dbraw/zinc/27/63/96/398276396.db2.gz PPTQITSWYOGGLF-PNRVRQOCSA-N 2 1 282.472 3.043 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCCCOc1ccccc1)C2 ZINC000622004287 349620549 /nfs/dbraw/zinc/62/05/49/349620549.db2.gz NAQAKPLVVRNOHR-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP CC1CC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000622044325 349622882 /nfs/dbraw/zinc/62/28/82/349622882.db2.gz AUSKRIHSLCNCPD-MMADZMRASA-N 2 1 258.409 3.115 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337983843 214344616 /nfs/dbraw/zinc/34/46/16/214344616.db2.gz BYKQYHIRUPZFHN-SRABZTEZSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000337983843 214344617 /nfs/dbraw/zinc/34/46/17/214344617.db2.gz BYKQYHIRUPZFHN-SRABZTEZSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@@H]1CCOC1)C1CCCCC1 ZINC000651910494 398304523 /nfs/dbraw/zinc/30/45/23/398304523.db2.gz VXUHXWMGFLZULI-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000338012703 214359722 /nfs/dbraw/zinc/35/97/22/214359722.db2.gz MQIACMNFKVXBOI-KRWDZBQOSA-N 2 1 287.407 3.331 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000338017609 214361928 /nfs/dbraw/zinc/36/19/28/214361928.db2.gz NZNOXVSJRDRVJD-YVEFUNNKSA-N 2 1 287.382 3.244 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1CCCF)C(C)C ZINC000337998313 214352481 /nfs/dbraw/zinc/35/24/81/214352481.db2.gz RZBRKWBWJPKBKJ-HUUCEWRRSA-N 2 1 258.425 3.225 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1CCCF)C(C)C ZINC000337998313 214352484 /nfs/dbraw/zinc/35/24/84/214352484.db2.gz RZBRKWBWJPKBKJ-HUUCEWRRSA-N 2 1 258.425 3.225 20 0 CGADMP C(=C\C[N@H+]1CCC[C@@H]1C1CC1)\C[NH+]1CCC[C@H]1C1CC1 ZINC000590787551 346875746 /nfs/dbraw/zinc/87/57/46/346875746.db2.gz ADYGRMWFTGBPEC-OEHAVNEVSA-N 2 1 274.452 3.291 20 0 CGADMP C(=C\C[N@@H+]1CCC[C@H]1C1CC1)\C[NH+]1CCC[C@@H]1C1CC1 ZINC000590787551 346875749 /nfs/dbraw/zinc/87/57/49/346875749.db2.gz ADYGRMWFTGBPEC-OEHAVNEVSA-N 2 1 274.452 3.291 20 0 CGADMP C(=C\C[N@H+]1CCC[C@H]1C1CC1)\C[NH+]1CCC[C@@H]1C1CC1 ZINC000590787551 346875752 /nfs/dbraw/zinc/87/57/52/346875752.db2.gz ADYGRMWFTGBPEC-OEHAVNEVSA-N 2 1 274.452 3.291 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000359130216 529442725 /nfs/dbraw/zinc/44/27/25/529442725.db2.gz SABHDLDSJBAKBM-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000423457818 529453217 /nfs/dbraw/zinc/45/32/17/529453217.db2.gz GBGOGQARRLXILQ-WMLDXEAASA-N 2 1 276.424 3.253 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000423458191 529453612 /nfs/dbraw/zinc/45/36/12/529453612.db2.gz GONJFZYMPYMXPN-IUCAKERBSA-N 2 1 291.258 3.207 20 0 CGADMP Cc1[nH+]ccc(N2CCC[N@H+](C3CCCC3)CC2)c1Cl ZINC000353163862 282186081 /nfs/dbraw/zinc/18/60/81/282186081.db2.gz OOAQNSRXYVMRKN-UHFFFAOYSA-N 2 1 293.842 3.498 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1F ZINC000623344837 349783720 /nfs/dbraw/zinc/78/37/20/349783720.db2.gz FECUOBGADLBMMS-CQSZACIVSA-N 2 1 264.388 3.097 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1F ZINC000623344837 349783723 /nfs/dbraw/zinc/78/37/23/349783723.db2.gz FECUOBGADLBMMS-CQSZACIVSA-N 2 1 264.388 3.097 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339192 349783021 /nfs/dbraw/zinc/78/30/21/349783021.db2.gz NYIGIDHSJZDAHP-KGLIPLIRSA-N 2 1 276.424 3.219 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339192 349783023 /nfs/dbraw/zinc/78/30/23/349783023.db2.gz NYIGIDHSJZDAHP-KGLIPLIRSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CCC1 ZINC000449132530 529620195 /nfs/dbraw/zinc/62/01/95/529620195.db2.gz UWBQNCPROPBPSC-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC2CCCCC2)CC1(C)C ZINC000623348167 349785613 /nfs/dbraw/zinc/78/56/13/349785613.db2.gz UNTPGGHBDYNSPU-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623374988 349793200 /nfs/dbraw/zinc/79/32/00/349793200.db2.gz YCUUCWLBWZGZFB-MRXNPFEDSA-N 2 1 290.451 3.145 20 0 CGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1Cl ZINC000623383850 349795133 /nfs/dbraw/zinc/79/51/33/349795133.db2.gz DGAGDODHPILTMH-AWEZNQCLSA-N 2 1 296.842 3.169 20 0 CGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1Cl ZINC000623383850 349795136 /nfs/dbraw/zinc/79/51/36/349795136.db2.gz DGAGDODHPILTMH-AWEZNQCLSA-N 2 1 296.842 3.169 20 0 CGADMP Cc1csc(CCCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623396914 349797666 /nfs/dbraw/zinc/79/76/66/349797666.db2.gz JHBCXKFIALRTGJ-AWEZNQCLSA-N 2 1 295.496 3.237 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623404254 349799855 /nfs/dbraw/zinc/79/98/55/349799855.db2.gz VPVOOZVMMSYPNB-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[NH+]1CCCC[C@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404254 349799858 /nfs/dbraw/zinc/79/98/58/349799858.db2.gz VPVOOZVMMSYPNB-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[NH+]1CCCC[C@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404254 349799862 /nfs/dbraw/zinc/79/98/62/349799862.db2.gz VPVOOZVMMSYPNB-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP COc1ccc(C2(N[C@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000623412677 349801552 /nfs/dbraw/zinc/80/15/52/349801552.db2.gz WNFVBSHXEAPXJG-HNNXBMFYSA-N 2 1 288.435 3.147 20 0 CGADMP COc1ccc(C2([NH2+][C@H]3CCN(C)C(C)(C)C3)CC2)cc1 ZINC000623412677 349801554 /nfs/dbraw/zinc/80/15/54/349801554.db2.gz WNFVBSHXEAPXJG-HNNXBMFYSA-N 2 1 288.435 3.147 20 0 CGADMP COc1ccc(C2([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000623412677 349801556 /nfs/dbraw/zinc/80/15/56/349801556.db2.gz WNFVBSHXEAPXJG-HNNXBMFYSA-N 2 1 288.435 3.147 20 0 CGADMP COc1ccc(C2([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000623412677 349801558 /nfs/dbraw/zinc/80/15/58/349801558.db2.gz WNFVBSHXEAPXJG-HNNXBMFYSA-N 2 1 288.435 3.147 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1cccs1 ZINC000623430741 349806695 /nfs/dbraw/zinc/80/66/95/349806695.db2.gz CLFNTXKGEUCHBZ-UONOGXRCSA-N 2 1 280.481 3.389 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1(C)C ZINC000623432382 349808177 /nfs/dbraw/zinc/80/81/77/349808177.db2.gz PCVLLHFPADQJSD-JJXSEGSLSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432821 349808990 /nfs/dbraw/zinc/80/89/90/349808990.db2.gz LNALJFCAERZONG-ZFWWWQNUSA-N 2 1 294.414 3.055 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCCC2(C)C)CC1(C)C ZINC000623445856 349811517 /nfs/dbraw/zinc/81/15/17/349811517.db2.gz HNNJICZKXQQAOR-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@]1(C)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351329108 219090383 /nfs/dbraw/zinc/09/03/83/219090383.db2.gz OJEJPQIVKMBAOP-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@]1(C)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351329108 219090385 /nfs/dbraw/zinc/09/03/85/219090385.db2.gz OJEJPQIVKMBAOP-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@]1(C)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351329108 219090389 /nfs/dbraw/zinc/09/03/89/219090389.db2.gz OJEJPQIVKMBAOP-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623515845 349825059 /nfs/dbraw/zinc/82/50/59/349825059.db2.gz SKFDOEPHJTVIER-DGCLKSJQSA-N 2 1 252.427 3.272 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623515845 349825060 /nfs/dbraw/zinc/82/50/60/349825060.db2.gz SKFDOEPHJTVIER-DGCLKSJQSA-N 2 1 252.427 3.272 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000126898451 187268882 /nfs/dbraw/zinc/26/88/82/187268882.db2.gz LMVDNHJAVKWPFJ-NWDGAFQWSA-N 2 1 266.454 3.215 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)CC1(C)C ZINC000623532696 349827406 /nfs/dbraw/zinc/82/74/06/349827406.db2.gz BVTWQXWKPVGOCY-ROKHWSDSSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C3CCC3)CCC2)CC1(C)C ZINC000623544077 349829940 /nfs/dbraw/zinc/82/99/40/349829940.db2.gz LQFSNYMUZSPVIY-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000623547474 349830986 /nfs/dbraw/zinc/83/09/86/349830986.db2.gz RBGYTAZBFIYHRT-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC1(C)C ZINC000623549149 349831151 /nfs/dbraw/zinc/83/11/51/349831151.db2.gz RTCPMYROHSSHNA-OWCLPIDISA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)CC1(C)C ZINC000623549540 349831434 /nfs/dbraw/zinc/83/14/34/349831434.db2.gz FMTXCDUHIRDHKS-HNNXBMFYSA-N 2 1 289.467 3.342 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)CC1(C)C ZINC000623549540 349831436 /nfs/dbraw/zinc/83/14/36/349831436.db2.gz FMTXCDUHIRDHKS-HNNXBMFYSA-N 2 1 289.467 3.342 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000424325704 529807231 /nfs/dbraw/zinc/80/72/31/529807231.db2.gz OHLJBSNYEKQWRX-ILOCAZANSA-N 2 1 288.410 3.086 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000424325704 529807232 /nfs/dbraw/zinc/80/72/32/529807232.db2.gz OHLJBSNYEKQWRX-ILOCAZANSA-N 2 1 288.410 3.086 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656861 349858731 /nfs/dbraw/zinc/85/87/31/349858731.db2.gz DKJFYLWDTDWPDR-GDBMZVCRSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000623657708 349859610 /nfs/dbraw/zinc/85/96/10/349859610.db2.gz XBKZEOWHVCLFNA-HNNXBMFYSA-N 2 1 280.843 3.470 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623655724 349856761 /nfs/dbraw/zinc/85/67/61/349856761.db2.gz CTVJCAPSYMTEKO-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623656374 349857891 /nfs/dbraw/zinc/85/78/91/349857891.db2.gz SULFYWDSFNNCDM-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000623656598 349857940 /nfs/dbraw/zinc/85/79/40/349857940.db2.gz YBOVSUGIOMCJSJ-VDZSZVPASA-N 2 1 258.409 3.021 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)CCC2 ZINC000441368331 529930101 /nfs/dbraw/zinc/93/01/01/529930101.db2.gz JYWHZOLSSDCVAU-IBGZPJMESA-N 2 1 286.463 3.482 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)CCC2 ZINC000441368331 529930103 /nfs/dbraw/zinc/93/01/03/529930103.db2.gz JYWHZOLSSDCVAU-IBGZPJMESA-N 2 1 286.463 3.482 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)CCC2 ZINC000441368331 529930104 /nfs/dbraw/zinc/93/01/04/529930104.db2.gz JYWHZOLSSDCVAU-IBGZPJMESA-N 2 1 286.463 3.482 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000481037134 534957039 /nfs/dbraw/zinc/95/70/39/534957039.db2.gz OBSXQSPEEMBDOA-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000351569516 219130011 /nfs/dbraw/zinc/13/00/11/219130011.db2.gz ULYRQGMYQBLVAW-CGTJXYLNSA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@H]1C[C@@H]1c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000351569516 219130014 /nfs/dbraw/zinc/13/00/14/219130014.db2.gz ULYRQGMYQBLVAW-CGTJXYLNSA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@H]1C[C@@H]1c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351569516 219130015 /nfs/dbraw/zinc/13/00/15/219130015.db2.gz ULYRQGMYQBLVAW-CGTJXYLNSA-N 2 1 272.436 3.064 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000414174042 530060913 /nfs/dbraw/zinc/06/09/13/530060913.db2.gz GKLYTVJUIJSUMZ-QAPCUYQASA-N 2 1 272.436 3.459 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040620831 344963839 /nfs/dbraw/zinc/96/38/39/344963839.db2.gz WFGTVNMUCALSRJ-QGZVFWFLSA-N 2 1 260.425 3.069 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000037211003 344948563 /nfs/dbraw/zinc/94/85/63/344948563.db2.gz XPXXUELGLGERED-OAHLLOKOSA-N 2 1 278.440 3.386 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000061626955 345231061 /nfs/dbraw/zinc/23/10/61/345231061.db2.gz OSUUBJKAAAFIHQ-GXFFZTMASA-N 2 1 272.314 3.017 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000070174728 345388687 /nfs/dbraw/zinc/38/86/87/345388687.db2.gz GUOLWVWSJSHCIB-ZIAGYGMSSA-N 2 1 296.842 3.168 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000089597321 345771830 /nfs/dbraw/zinc/77/18/30/345771830.db2.gz NQVWGORUHZCVSV-RDJZCZTQSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027379 345777589 /nfs/dbraw/zinc/77/75/89/345777589.db2.gz BKKWYZVGWNRHNB-PBHICJAKSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027379 345777590 /nfs/dbraw/zinc/77/75/90/345777590.db2.gz BKKWYZVGWNRHNB-PBHICJAKSA-N 2 1 288.435 3.048 20 0 CGADMP CCCC1CCC(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000093053672 345867573 /nfs/dbraw/zinc/86/75/73/345867573.db2.gz PLAZCOAKSVHWET-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000093644361 345883748 /nfs/dbraw/zinc/88/37/48/345883748.db2.gz UVJVBFCOZUTQKC-BZZMCLGOSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000093644361 345883751 /nfs/dbraw/zinc/88/37/51/345883751.db2.gz UVJVBFCOZUTQKC-BZZMCLGOSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000093644361 345883753 /nfs/dbraw/zinc/88/37/53/345883753.db2.gz UVJVBFCOZUTQKC-BZZMCLGOSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000093644361 345883756 /nfs/dbraw/zinc/88/37/56/345883756.db2.gz UVJVBFCOZUTQKC-BZZMCLGOSA-N 2 1 272.436 3.205 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Nc1ccccc1 ZINC000482641369 535019470 /nfs/dbraw/zinc/01/94/70/535019470.db2.gz JIZDQRFDQUAWFR-JQHSSLGASA-N 2 1 289.467 3.053 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178039598 232380488 /nfs/dbraw/zinc/38/04/88/232380488.db2.gz WQQRYERUTIZCKH-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)ccc2c1 ZINC000156070804 346156931 /nfs/dbraw/zinc/15/69/31/346156931.db2.gz VBJNOOFYIXOOHD-SUMWQHHRSA-N 2 1 284.403 3.160 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000157383167 346161432 /nfs/dbraw/zinc/16/14/32/346161432.db2.gz OEAZFAKKNUNPBW-GOEBONIOSA-N 2 1 278.415 3.077 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000172831145 346231137 /nfs/dbraw/zinc/23/11/37/346231137.db2.gz MEHMYZGOUYJDTQ-OAHLLOKOSA-N 2 1 293.480 3.210 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000172831145 346231139 /nfs/dbraw/zinc/23/11/39/346231139.db2.gz MEHMYZGOUYJDTQ-OAHLLOKOSA-N 2 1 293.480 3.210 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000232666496 346327059 /nfs/dbraw/zinc/32/70/59/346327059.db2.gz VWGNAAGUTGSQDU-CQSZACIVSA-N 2 1 280.843 3.468 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000232666496 346327064 /nfs/dbraw/zinc/32/70/64/346327064.db2.gz VWGNAAGUTGSQDU-CQSZACIVSA-N 2 1 280.843 3.468 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000248989397 346380208 /nfs/dbraw/zinc/38/02/08/346380208.db2.gz NAGRHEQBZCQBCR-GOEBONIOSA-N 2 1 254.462 3.235 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000252212524 346390634 /nfs/dbraw/zinc/39/06/34/346390634.db2.gz YLOZNUQOEVGDRY-UGUYLWEFSA-N 2 1 252.446 3.131 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000624069183 349962197 /nfs/dbraw/zinc/96/21/97/349962197.db2.gz KMHFVRMSQPSIAF-ROUUACIJSA-N 2 1 284.447 3.395 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000314987612 346482735 /nfs/dbraw/zinc/48/27/35/346482735.db2.gz YLGRLSSKPYWCDK-INIZCTEOSA-N 2 1 275.440 3.445 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339071836 346500958 /nfs/dbraw/zinc/50/09/58/346500958.db2.gz SGBBJCCPAGPJBB-XUWVNRHRSA-N 2 1 282.497 3.267 20 0 CGADMP CC[NH+](CC)Cc1cccc(NCc2c[nH+]c(C)n2C)c1 ZINC000584730709 346711060 /nfs/dbraw/zinc/71/10/60/346711060.db2.gz BRBBGIFLRGSCPZ-UHFFFAOYSA-N 2 1 286.423 3.182 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120441 349976292 /nfs/dbraw/zinc/97/62/92/349976292.db2.gz ZHMXAALRKOMMAJ-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120441 349976298 /nfs/dbraw/zinc/97/62/98/349976298.db2.gz ZHMXAALRKOMMAJ-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000351863941 219229438 /nfs/dbraw/zinc/22/94/38/219229438.db2.gz VWVWURQEEPAOMI-MAUKXSAKSA-N 2 1 298.430 3.278 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120834 349978970 /nfs/dbraw/zinc/97/89/70/349978970.db2.gz HWVGLBYSWUOJBU-SUMWQHHRSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624121374 349979159 /nfs/dbraw/zinc/97/91/59/349979159.db2.gz UVYPJTMTQROROV-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1F ZINC000624121783 349979825 /nfs/dbraw/zinc/97/98/25/349979825.db2.gz CXANLEBDAAXENN-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000624122516 349981678 /nfs/dbraw/zinc/98/16/78/349981678.db2.gz TZILDMKHMIAJKC-LRDDRELGSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000624122516 349981684 /nfs/dbraw/zinc/98/16/84/349981684.db2.gz TZILDMKHMIAJKC-LRDDRELGSA-N 2 1 294.389 3.274 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)oc1C ZINC000624123378 349983112 /nfs/dbraw/zinc/98/31/12/349983112.db2.gz KXHBXYCDYMKNCA-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)oc1C ZINC000624123378 349983113 /nfs/dbraw/zinc/98/31/13/349983113.db2.gz KXHBXYCDYMKNCA-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339412499 215157630 /nfs/dbraw/zinc/15/76/30/215157630.db2.gz OTYADVZAQQRXBT-OLZOCXBDSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339405477 215150970 /nfs/dbraw/zinc/15/09/70/215150970.db2.gz ALNGIZSUHUODPS-NWDGAFQWSA-N 2 1 284.806 3.081 20 0 CGADMP COc1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)ccc1C ZINC000339407437 215152276 /nfs/dbraw/zinc/15/22/76/215152276.db2.gz LUNNMDIORDIMFG-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP CC(C)CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000339409339 215153690 /nfs/dbraw/zinc/15/36/90/215153690.db2.gz KTJCJSCPWFFQEC-QGZVFWFLSA-N 2 1 275.440 3.072 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000339466345 215190604 /nfs/dbraw/zinc/19/06/04/215190604.db2.gz KPZYAXOMPXQGSU-UHFFFAOYSA-N 2 1 261.413 3.062 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)CC1 ZINC000624146046 349987993 /nfs/dbraw/zinc/98/79/93/349987993.db2.gz PMELUSZQLKAMEE-SAABIXHNSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccnc1 ZINC000273439250 192149676 /nfs/dbraw/zinc/14/96/76/192149676.db2.gz XXFZKNOFFZMYOH-MRXNPFEDSA-N 2 1 272.396 3.108 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000358057372 233050403 /nfs/dbraw/zinc/05/04/03/233050403.db2.gz FWOASVVQOYUKNB-ZBFHGGJFSA-N 2 1 278.465 3.099 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000358057335 233050421 /nfs/dbraw/zinc/05/04/21/233050421.db2.gz FWOASVVQOYUKNB-GDBMZVCRSA-N 2 1 278.465 3.099 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000358134230 233062737 /nfs/dbraw/zinc/06/27/37/233062737.db2.gz AKVJSUPYKVYYCR-SMDDNHRTSA-N 2 1 284.806 3.094 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCC1(C)C ZINC000339577791 215253200 /nfs/dbraw/zinc/25/32/00/215253200.db2.gz QTVYRNSRPOYXQL-AWEZNQCLSA-N 2 1 261.413 3.064 20 0 CGADMP Clc1ccc(Cl)c(CC[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000625434717 350171203 /nfs/dbraw/zinc/17/12/03/350171203.db2.gz GABCZLMXZBGJLI-UHFFFAOYSA-N 2 1 296.201 3.317 20 0 CGADMP Clc1ccc(Cl)c(CCN2CCc3nc[nH]c3C2)c1 ZINC000625434717 350171207 /nfs/dbraw/zinc/17/12/07/350171207.db2.gz GABCZLMXZBGJLI-UHFFFAOYSA-N 2 1 296.201 3.317 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CC[N@H+]1C ZINC000359717615 233364913 /nfs/dbraw/zinc/36/49/13/233364913.db2.gz JGBZLACJUMVZIE-YOEHRIQHSA-N 2 1 288.435 3.048 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359732 191096198 /nfs/dbraw/zinc/09/61/98/191096198.db2.gz ZUHQDAWKPGLCFO-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359732 191096200 /nfs/dbraw/zinc/09/62/00/191096200.db2.gz ZUHQDAWKPGLCFO-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359732 191096201 /nfs/dbraw/zinc/09/62/01/191096201.db2.gz ZUHQDAWKPGLCFO-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000628149645 350411783 /nfs/dbraw/zinc/41/17/83/350411783.db2.gz IATXOTIFKQKWGV-UHFFFAOYSA-N 2 1 291.439 3.104 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000628203092 350439035 /nfs/dbraw/zinc/43/90/35/350439035.db2.gz SRCFACOOIWNIKG-BPQIPLTHSA-N 2 1 272.436 3.315 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000628203092 350439036 /nfs/dbraw/zinc/43/90/36/350439036.db2.gz SRCFACOOIWNIKG-BPQIPLTHSA-N 2 1 272.436 3.315 20 0 CGADMP c1[nH]nc2cccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c12 ZINC000628181938 350426020 /nfs/dbraw/zinc/42/60/20/350426020.db2.gz XKVVZAMSIQRGRS-INIZCTEOSA-N 2 1 298.434 3.013 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628205172 350439728 /nfs/dbraw/zinc/43/97/28/350439728.db2.gz DBLKMCONDMNWKB-OAHLLOKOSA-N 2 1 271.408 3.283 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000628425695 350536999 /nfs/dbraw/zinc/53/69/99/350536999.db2.gz SHAJADLNRUQLLK-RDJZCZTQSA-N 2 1 290.451 3.035 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000271394612 191114805 /nfs/dbraw/zinc/11/48/05/191114805.db2.gz KKBRMVYURNPJJP-HNNXBMFYSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629537349 350705832 /nfs/dbraw/zinc/70/58/32/350705832.db2.gz INGGPMSTIGSESZ-WBAXXEDZSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000629549753 350710884 /nfs/dbraw/zinc/71/08/84/350710884.db2.gz HXWURHYVZAFQIE-MWLCHTKSSA-N 2 1 292.370 3.245 20 0 CGADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000629571980 350713687 /nfs/dbraw/zinc/71/36/87/350713687.db2.gz LESUMLKQFOVCLY-OAHLLOKOSA-N 2 1 278.440 3.039 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000629566084 350714146 /nfs/dbraw/zinc/71/41/46/350714146.db2.gz YDAZZFZIXVCNTD-YPMHNXCESA-N 2 1 292.389 3.272 20 0 CGADMP COc1ccc(C(C)(C)[NH2+]C[C@H]([NH3+])CC(C)C)cc1F ZINC000629653202 350731345 /nfs/dbraw/zinc/73/13/45/350731345.db2.gz IBSBFAMTHPZKLV-CYBMUJFWSA-N 2 1 282.403 3.032 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000629659791 350731987 /nfs/dbraw/zinc/73/19/87/350731987.db2.gz HDBPJHXECRZPCQ-DJIMGWMZSA-N 2 1 260.425 3.156 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+](C)CCOCC[NH3+])c2)cc1 ZINC000629664750 350733234 /nfs/dbraw/zinc/73/32/34/350733234.db2.gz QXSNCLHYFPSMGU-UHFFFAOYSA-N 2 1 298.430 3.069 20 0 CGADMP CC(C)(F)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000631189405 350984737 /nfs/dbraw/zinc/98/47/37/350984737.db2.gz PFEAZQHJPRSPRS-UHFFFAOYSA-N 2 1 278.415 3.031 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(C)ccn1 ZINC000631633566 351098730 /nfs/dbraw/zinc/09/87/30/351098730.db2.gz SUBUUVCZULKAAC-NPYXIHBLSA-N 2 1 287.451 3.446 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)ccn1 ZINC000631633566 351098733 /nfs/dbraw/zinc/09/87/33/351098733.db2.gz SUBUUVCZULKAAC-NPYXIHBLSA-N 2 1 287.451 3.446 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)o1 ZINC000635004279 351622921 /nfs/dbraw/zinc/62/29/21/351622921.db2.gz HTHZNOHXBLRNMG-HOCLYGCPSA-N 2 1 272.392 3.199 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000339844411 215360275 /nfs/dbraw/zinc/36/02/75/215360275.db2.gz YATHDPCIBYVSLD-SJLPKXTDSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000339844411 215360277 /nfs/dbraw/zinc/36/02/77/215360277.db2.gz YATHDPCIBYVSLD-SJLPKXTDSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000339844411 215360279 /nfs/dbraw/zinc/36/02/79/215360279.db2.gz YATHDPCIBYVSLD-SJLPKXTDSA-N 2 1 272.436 3.220 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000271516980 191187235 /nfs/dbraw/zinc/18/72/35/191187235.db2.gz OTGUXBOIQYIFQO-DZGCQCFKSA-N 2 1 296.842 3.039 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000271621673 191246071 /nfs/dbraw/zinc/24/60/71/191246071.db2.gz YPNARRYBNLUBCL-CVEARBPZSA-N 2 1 275.440 3.161 20 0 CGADMP COc1ccsc1[C@@H](C)NCc1cnc2n1CCCC2 ZINC000367439128 234215441 /nfs/dbraw/zinc/21/54/41/234215441.db2.gz ROUQAGSCQRGBHH-LLVKDONJSA-N 2 1 291.420 3.140 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000271650440 191258304 /nfs/dbraw/zinc/25/83/04/191258304.db2.gz AXOSSUDMSJFEDW-UHFFFAOYSA-N 2 1 275.371 3.246 20 0 CGADMP c1ccc(C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000152377083 188014032 /nfs/dbraw/zinc/01/40/32/188014032.db2.gz ZQFJFIIYXQYOBR-LPHOPBHVSA-N 2 1 284.447 3.082 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000154849786 188165779 /nfs/dbraw/zinc/16/57/79/188165779.db2.gz NMCBJTAUTVLGNO-MAUKXSAKSA-N 2 1 290.451 3.041 20 0 CGADMP c1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157473943 188319621 /nfs/dbraw/zinc/31/96/21/188319621.db2.gz HWKKJOLHRCADBP-LSDHHAIUSA-N 2 1 270.376 3.149 20 0 CGADMP c1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157473943 188319622 /nfs/dbraw/zinc/31/96/22/188319622.db2.gz HWKKJOLHRCADBP-LSDHHAIUSA-N 2 1 270.376 3.149 20 0 CGADMP Fc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449352198 283018745 /nfs/dbraw/zinc/01/87/45/283018745.db2.gz STGOSMNYFGBYDE-IYOUNJFTSA-N 2 1 288.410 3.420 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377084130 234840502 /nfs/dbraw/zinc/84/05/02/234840502.db2.gz QJTIJKPFJJXLJC-JEIALXQPSA-N 2 1 284.447 3.393 20 0 CGADMP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000411279360 235041917 /nfs/dbraw/zinc/04/19/17/235041917.db2.gz BVSSYLUELYKEES-JCGIZDLHSA-N 2 1 288.410 3.099 20 0 CGADMP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000411279360 235041920 /nfs/dbraw/zinc/04/19/20/235041920.db2.gz BVSSYLUELYKEES-JCGIZDLHSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411631900 235071333 /nfs/dbraw/zinc/07/13/33/235071333.db2.gz CQORDAUSPCGLTO-YESZJQIVSA-N 2 1 276.399 3.098 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411631900 235071337 /nfs/dbraw/zinc/07/13/37/235071337.db2.gz CQORDAUSPCGLTO-YESZJQIVSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271825680 191350720 /nfs/dbraw/zinc/35/07/20/191350720.db2.gz DBXJLBKWVZKJDF-MRXNPFEDSA-N 2 1 272.436 3.168 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000271877947 191384523 /nfs/dbraw/zinc/38/45/23/191384523.db2.gz OPIJEKLUUHECHG-MRXNPFEDSA-N 2 1 262.372 3.128 20 0 CGADMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC)cc1 ZINC000271863489 191375963 /nfs/dbraw/zinc/37/59/63/191375963.db2.gz KZHOSFAFJHQJCZ-SFHVURJKSA-N 2 1 288.435 3.388 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(C)ccc1OC ZINC000271864734 191377831 /nfs/dbraw/zinc/37/78/31/191377831.db2.gz LECRZNNACUUHNF-KRWDZBQOSA-N 2 1 288.435 3.306 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414071917 235329098 /nfs/dbraw/zinc/32/90/98/235329098.db2.gz LBSFVOQVLPIJRZ-JFRXWTBNSA-N 2 1 286.463 3.185 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414180360 235356336 /nfs/dbraw/zinc/35/63/36/235356336.db2.gz LYTULJZYWYUDAZ-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414201909 235362857 /nfs/dbraw/zinc/36/28/57/235362857.db2.gz YIYNZRZQOVEGMC-CHWSQXEVSA-N 2 1 282.453 3.139 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCC2)[C@H]2CCC[C@@H]21 ZINC000453310507 283134023 /nfs/dbraw/zinc/13/40/23/283134023.db2.gz RJNGAGYSPKKCGX-PMPSAXMXSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@H]2CCC[C@H]21 ZINC000367613546 283134554 /nfs/dbraw/zinc/13/45/54/283134554.db2.gz FZIGWWZLDWEDNA-QLFBSQMISA-N 2 1 286.410 3.274 20 0 CGADMP CC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000272984382 192008537 /nfs/dbraw/zinc/00/85/37/192008537.db2.gz YPNHGXMLEJJAFZ-CQDXFGNVSA-N 2 1 272.436 3.428 20 0 CGADMP CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000272984382 192008540 /nfs/dbraw/zinc/00/85/40/192008540.db2.gz YPNHGXMLEJJAFZ-CQDXFGNVSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cc3ccccc3o2)CC[NH2+]1 ZINC000414703391 235454923 /nfs/dbraw/zinc/45/49/23/235454923.db2.gz JQIYMIXMLFIEEQ-UONOGXRCSA-N 2 1 272.392 3.253 20 0 CGADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083337 235527311 /nfs/dbraw/zinc/52/73/11/235527311.db2.gz PTPDGVCQQGTYQA-VSZNYVQBSA-N 2 1 288.435 3.027 20 0 CGADMP CCSCC[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000273785869 192308420 /nfs/dbraw/zinc/30/84/20/192308420.db2.gz SZDHCOLWVXCSAD-UHFFFAOYSA-N 2 1 280.481 3.370 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000091268700 138343613 /nfs/dbraw/zinc/34/36/13/138343613.db2.gz DLQSYOMNWUNUQY-ZDUSSCGKSA-N 2 1 292.854 3.487 20 0 CGADMP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000124690582 138376696 /nfs/dbraw/zinc/37/66/96/138376696.db2.gz SRXRJIFQQKGWCQ-UHFFFAOYSA-N 2 1 264.388 3.134 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000124690582 138376697 /nfs/dbraw/zinc/37/66/97/138376697.db2.gz SRXRJIFQQKGWCQ-UHFFFAOYSA-N 2 1 264.388 3.134 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000130194100 138399798 /nfs/dbraw/zinc/39/97/98/138399798.db2.gz WICNMZDMPFOGNP-KNXALSJPSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000130194100 138399799 /nfs/dbraw/zinc/39/97/99/138399799.db2.gz WICNMZDMPFOGNP-KNXALSJPSA-N 2 1 280.362 3.242 20 0 CGADMP Oc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422997962 235955034 /nfs/dbraw/zinc/95/50/34/235955034.db2.gz VSZSHAUDZIVDMJ-PKOBYXMFSA-N 2 1 296.414 3.018 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(F)c1 ZINC000423259506 236012042 /nfs/dbraw/zinc/01/20/42/236012042.db2.gz FBBHVPZLAGCOKK-LRDDRELGSA-N 2 1 264.388 3.384 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])sc1Br ZINC000423287159 236024538 /nfs/dbraw/zinc/02/45/38/236024538.db2.gz KQIRZMPKODECEC-MRVPVSSYSA-N 2 1 291.258 3.207 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423336955 236042773 /nfs/dbraw/zinc/04/27/73/236042773.db2.gz UWOSEYZZUSOWJV-UXIGCNINSA-N 2 1 266.816 3.303 20 0 CGADMP Cc1cc(OCCC[C@H](C)[NH2+][C@@H](C)C[NH3+])ccc1Cl ZINC000423361666 236050195 /nfs/dbraw/zinc/05/01/95/236050195.db2.gz ALHWWEIWDVZFHK-STQMWFEESA-N 2 1 284.831 3.133 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423401316 236064800 /nfs/dbraw/zinc/06/48/00/236064800.db2.gz XDNOZUBIWJEGAH-NTZNESFSSA-N 2 1 282.815 3.140 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1csc(Cl)c1 ZINC000423408333 236066255 /nfs/dbraw/zinc/06/62/55/236066255.db2.gz XHXMWFIRHJOWFT-WCABBAIRSA-N 2 1 258.818 3.050 20 0 CGADMP COC[C@@]1(C[NH2+][C@@H](C)c2cccc3ccccc32)CCC[NH2+]1 ZINC000423439705 236070984 /nfs/dbraw/zinc/07/09/84/236070984.db2.gz VKDOUNJJFZWDSE-KXBFYZLASA-N 2 1 298.430 3.259 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)cc(Cl)c1)CC[NH2+]CC2 ZINC000424378509 236158829 /nfs/dbraw/zinc/15/88/29/236158829.db2.gz NHOXXHYLQRRDHE-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(Cl)c1 ZINC000424286975 236142825 /nfs/dbraw/zinc/14/28/25/236142825.db2.gz QWFLPTIOHUXBEP-LBPRGKRZSA-N 2 1 294.826 3.261 20 0 CGADMP COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000424311039 236145518 /nfs/dbraw/zinc/14/55/18/236145518.db2.gz KGDFEFZNEDXNLF-AGIUHOORSA-N 2 1 296.842 3.482 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)c(Cl)c1 ZINC000424311039 236145519 /nfs/dbraw/zinc/14/55/19/236145519.db2.gz KGDFEFZNEDXNLF-AGIUHOORSA-N 2 1 296.842 3.482 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000424336292 236152356 /nfs/dbraw/zinc/15/23/56/236152356.db2.gz PYMUQQGGLOSFMW-ZLKJLUDKSA-N 2 1 297.240 3.370 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1cc(F)cc(F)c1 ZINC000294874999 199225745 /nfs/dbraw/zinc/22/57/45/199225745.db2.gz QJZLFLRBIRQLPB-KBPBESRZSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294874999 199225746 /nfs/dbraw/zinc/22/57/46/199225746.db2.gz QJZLFLRBIRQLPB-KBPBESRZSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294874999 199225748 /nfs/dbraw/zinc/22/57/48/199225748.db2.gz QJZLFLRBIRQLPB-KBPBESRZSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCc1cccc(Cl)c1 ZINC000297542118 200223821 /nfs/dbraw/zinc/22/38/21/200223821.db2.gz YSLYVVKIWRTWQC-CZUORRHYSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCc1cccc(Cl)c1 ZINC000297542118 200223823 /nfs/dbraw/zinc/22/38/23/200223823.db2.gz YSLYVVKIWRTWQC-CZUORRHYSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCc1cccc(Cl)c1 ZINC000297542118 200223825 /nfs/dbraw/zinc/22/38/25/200223825.db2.gz YSLYVVKIWRTWQC-CZUORRHYSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCc1cccc(Cl)c1 ZINC000297542118 200223827 /nfs/dbraw/zinc/22/38/27/200223827.db2.gz YSLYVVKIWRTWQC-CZUORRHYSA-N 2 1 280.843 3.155 20 0 CGADMP c1ccc(C2CC(C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000298190033 200355313 /nfs/dbraw/zinc/35/53/13/200355313.db2.gz WTENXMTXTXWFCQ-UHFFFAOYSA-N 2 1 284.447 3.397 20 0 CGADMP C[N@H+](Cc1cc2ccccc2o1)CC1CC[NH+](C)CC1 ZINC000178528325 189124231 /nfs/dbraw/zinc/12/42/31/189124231.db2.gz OXTXJQSKDYHPRR-UHFFFAOYSA-N 2 1 272.392 3.206 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000178702873 189138599 /nfs/dbraw/zinc/13/85/99/189138599.db2.gz MHQWXJOGFHSIRN-PBHICJAKSA-N 2 1 299.418 3.331 20 0 CGADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Cl ZINC000179334898 189186609 /nfs/dbraw/zinc/18/66/09/189186609.db2.gz LKDSUHXOOSSSQV-AWEZNQCLSA-N 2 1 296.842 3.122 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Cl ZINC000179334898 189186610 /nfs/dbraw/zinc/18/66/10/189186610.db2.gz LKDSUHXOOSSSQV-AWEZNQCLSA-N 2 1 296.842 3.122 20 0 CGADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000179334898 189186611 /nfs/dbraw/zinc/18/66/11/189186611.db2.gz LKDSUHXOOSSSQV-AWEZNQCLSA-N 2 1 296.842 3.122 20 0 CGADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000179334898 189186612 /nfs/dbraw/zinc/18/66/12/189186612.db2.gz LKDSUHXOOSSSQV-AWEZNQCLSA-N 2 1 296.842 3.122 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000179505899 189198316 /nfs/dbraw/zinc/19/83/16/189198316.db2.gz GJZNPAYWZIRZRA-GZOSKZMVSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000179505899 189198317 /nfs/dbraw/zinc/19/83/17/189198317.db2.gz GJZNPAYWZIRZRA-GZOSKZMVSA-N 2 1 272.436 3.382 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000179678164 189212699 /nfs/dbraw/zinc/21/26/99/189212699.db2.gz VZYMNWLNAMRHCI-VXGBXAGGSA-N 2 1 293.361 3.457 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000180348554 189250974 /nfs/dbraw/zinc/25/09/74/189250974.db2.gz IHEQJECPHUVVMH-ZBFHGGJFSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000180348554 189250975 /nfs/dbraw/zinc/25/09/75/189250975.db2.gz IHEQJECPHUVVMH-ZBFHGGJFSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000180506642 189259546 /nfs/dbraw/zinc/25/95/46/189259546.db2.gz YOZGIMKIFKRBLW-CZUORRHYSA-N 2 1 280.843 3.345 20 0 CGADMP COc1ccccc1CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000182533303 189327256 /nfs/dbraw/zinc/32/72/56/189327256.db2.gz KIOIGNBYZAYNFT-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000182533303 189327257 /nfs/dbraw/zinc/32/72/57/189327257.db2.gz KIOIGNBYZAYNFT-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182533303 189327258 /nfs/dbraw/zinc/32/72/58/189327258.db2.gz KIOIGNBYZAYNFT-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182533303 189327259 /nfs/dbraw/zinc/32/72/59/189327259.db2.gz KIOIGNBYZAYNFT-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000184260323 189381172 /nfs/dbraw/zinc/38/11/72/189381172.db2.gz RYCRHGQEVHJEHC-JKSUJKDBSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000184260323 189381173 /nfs/dbraw/zinc/38/11/73/189381173.db2.gz RYCRHGQEVHJEHC-JKSUJKDBSA-N 2 1 275.440 3.305 20 0 CGADMP CCc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)nc(C)[nH+]1 ZINC000302030836 201309245 /nfs/dbraw/zinc/30/92/45/201309245.db2.gz BWZMBUBLSOWEBI-CQSZACIVSA-N 2 1 290.455 3.414 20 0 CGADMP CCc1cc(NCCCC[N@H+]2CCCC[C@H]2C)nc(C)[nH+]1 ZINC000302030836 201309248 /nfs/dbraw/zinc/30/92/48/201309248.db2.gz BWZMBUBLSOWEBI-CQSZACIVSA-N 2 1 290.455 3.414 20 0 CGADMP Cc1cccc(CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000449038524 239136658 /nfs/dbraw/zinc/13/66/58/239136658.db2.gz VFSFWRNACAFEOS-LJQANCHMSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1cccc(CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000449038524 239136662 /nfs/dbraw/zinc/13/66/62/239136662.db2.gz VFSFWRNACAFEOS-LJQANCHMSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1cccc(CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000449038524 239136670 /nfs/dbraw/zinc/13/66/70/239136670.db2.gz VFSFWRNACAFEOS-LJQANCHMSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000119841093 370714495 /nfs/dbraw/zinc/71/44/95/370714495.db2.gz HXJKFUIAOUWRSF-UHFFFAOYSA-N 2 1 266.816 3.141 20 0 CGADMP C[C@]1(F)CCCN(C/C=C/C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000451111601 240219613 /nfs/dbraw/zinc/21/96/13/240219613.db2.gz GBOSBQFRXKNZOW-PIGHNIFASA-N 2 1 286.410 3.191 20 0 CGADMP Cc1nccn1CC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000451187941 240240655 /nfs/dbraw/zinc/24/06/55/240240655.db2.gz PYTRUJOCELPTMG-VKJFTORMSA-N 2 1 283.419 3.458 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000275344164 193004995 /nfs/dbraw/zinc/00/49/95/193004995.db2.gz PIBOYOXPRLLNAL-GOSISDBHSA-N 2 1 272.436 3.105 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000275499552 193058437 /nfs/dbraw/zinc/05/84/37/193058437.db2.gz MBHFSVYHEXFHNS-IRXDYDNUSA-N 2 1 269.392 3.117 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(F)cc1 ZINC000275650549 193095755 /nfs/dbraw/zinc/09/57/55/193095755.db2.gz CESDNSZSFRHKPQ-LSDHHAIUSA-N 2 1 278.415 3.203 20 0 CGADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000275650549 193095756 /nfs/dbraw/zinc/09/57/56/193095756.db2.gz CESDNSZSFRHKPQ-LSDHHAIUSA-N 2 1 278.415 3.203 20 0 CGADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000275650549 193095758 /nfs/dbraw/zinc/09/57/58/193095758.db2.gz CESDNSZSFRHKPQ-LSDHHAIUSA-N 2 1 278.415 3.203 20 0 CGADMP FC1(F)CCC(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000459348030 242081874 /nfs/dbraw/zinc/08/18/74/242081874.db2.gz VWSZXMLUEWPYEQ-OAHLLOKOSA-N 2 1 286.410 3.230 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2CC2)cc1 ZINC000459551742 242130550 /nfs/dbraw/zinc/13/05/50/242130550.db2.gz OVSGOZHDQANMEE-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2CC2)cc1 ZINC000459551742 242130557 /nfs/dbraw/zinc/13/05/57/242130557.db2.gz OVSGOZHDQANMEE-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459551742 242130564 /nfs/dbraw/zinc/13/05/64/242130564.db2.gz OVSGOZHDQANMEE-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459551742 242130570 /nfs/dbraw/zinc/13/05/70/242130570.db2.gz OVSGOZHDQANMEE-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP CCOc1ccccc1[C@H](CC)[NH2+]CCc1c[nH+]cn1C ZINC000459392127 242096747 /nfs/dbraw/zinc/09/67/47/242096747.db2.gz LHIVYTKPMHIZBN-INIZCTEOSA-N 2 1 287.407 3.102 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000459633657 242155972 /nfs/dbraw/zinc/15/59/72/242155972.db2.gz DPTNKFSUENGOBA-AEFFLSMTSA-N 2 1 289.467 3.257 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459724188 242191236 /nfs/dbraw/zinc/19/12/36/242191236.db2.gz AJBRLAPMSJEOIS-OAHLLOKOSA-N 2 1 290.451 3.079 20 0 CGADMP Cc1ccc(C)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459727053 242194910 /nfs/dbraw/zinc/19/49/10/242194910.db2.gz HCANEBNXHWQRIG-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP C[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000459733244 242197240 /nfs/dbraw/zinc/19/72/40/242197240.db2.gz GMBORMXJMOAFRR-HUUCEWRRSA-N 2 1 278.415 3.251 20 0 CGADMP CSc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459739625 242201465 /nfs/dbraw/zinc/20/14/65/242201465.db2.gz SYWDTIJBYLQVLF-HNNXBMFYSA-N 2 1 278.465 3.230 20 0 CGADMP Cc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1C ZINC000459746925 242207414 /nfs/dbraw/zinc/20/74/14/242207414.db2.gz ZHIXAUKAUMPDNG-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000462802690 242364138 /nfs/dbraw/zinc/36/41/38/242364138.db2.gz MJIBBSLBDXLDTA-CVEARBPZSA-N 2 1 292.854 3.407 20 0 CGADMP c1ccc2c(N[C@H]3CC[N@H+](CC4CCCC4)C3)cc[nH+]c2c1 ZINC000462945455 242377287 /nfs/dbraw/zinc/37/72/87/242377287.db2.gz MNWIQVLRLDGTPB-INIZCTEOSA-N 2 1 295.430 3.333 20 0 CGADMP CCc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)o1 ZINC000121777667 370894341 /nfs/dbraw/zinc/89/43/41/370894341.db2.gz JDINYKPIDAWXIM-UHFFFAOYSA-N 2 1 287.407 3.030 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000479507925 243108965 /nfs/dbraw/zinc/10/89/65/243108965.db2.gz YQSVXWWAGXPTOV-QAPCUYQASA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000480197678 243141975 /nfs/dbraw/zinc/14/19/75/243141975.db2.gz NUPAKZMFOZQJJW-SJLPKXTDSA-N 2 1 286.463 3.428 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000482251002 243222353 /nfs/dbraw/zinc/22/23/53/243222353.db2.gz VVHVQFYRZJURTL-YJBOKZPZSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000482251002 243222358 /nfs/dbraw/zinc/22/23/58/243222358.db2.gz VVHVQFYRZJURTL-YJBOKZPZSA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000123694636 370914363 /nfs/dbraw/zinc/91/43/63/370914363.db2.gz ZZVSNKNNOOSYBK-AWEZNQCLSA-N 2 1 299.256 3.254 20 0 CGADMP c1ccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036996997 369048324 /nfs/dbraw/zinc/04/83/24/369048324.db2.gz SXXYVJRSMPFUPQ-OPQOLIRYSA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036996997 369048328 /nfs/dbraw/zinc/04/83/28/369048328.db2.gz SXXYVJRSMPFUPQ-OPQOLIRYSA-N 2 1 270.420 3.149 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000036908062 369036990 /nfs/dbraw/zinc/03/69/90/369036990.db2.gz PDYJGBLRGLWQFP-QWQRMKEZSA-N 2 1 285.435 3.029 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997016 369048654 /nfs/dbraw/zinc/04/86/54/369048654.db2.gz YOQSSEMILQAWDN-JOCCRWCTSA-N 2 1 288.410 3.288 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997016 369048658 /nfs/dbraw/zinc/04/86/58/369048658.db2.gz YOQSSEMILQAWDN-JOCCRWCTSA-N 2 1 288.410 3.288 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000037644091 369093675 /nfs/dbraw/zinc/09/36/75/369093675.db2.gz SPXDLOAFZLMJSD-WBVHZDCISA-N 2 1 260.425 3.378 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)o1 ZINC000037648964 369094836 /nfs/dbraw/zinc/09/48/36/369094836.db2.gz PIELYJYXQPGWCS-GXTWGEPZSA-N 2 1 262.397 3.031 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000037644513 369095170 /nfs/dbraw/zinc/09/51/70/369095170.db2.gz IXLCQNZLBUFULZ-QAPCUYQASA-N 2 1 272.436 3.378 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000037649245 369096970 /nfs/dbraw/zinc/09/69/70/369096970.db2.gz AJZAJRZMFUTYER-STQMWFEESA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000037649246 369097621 /nfs/dbraw/zinc/09/76/21/369097621.db2.gz AJZAJRZMFUTYER-OLZOCXBDSA-N 2 1 278.827 3.475 20 0 CGADMP Cc1cc(NCCC[N@@H+](C)C2CCCCC2)nc(C)[nH+]1 ZINC000037859958 369119973 /nfs/dbraw/zinc/11/99/73/369119973.db2.gz XGNBYXAJBHORPE-UHFFFAOYSA-N 2 1 276.428 3.160 20 0 CGADMP Cc1cc(NCCC[N@H+](C)C2CCCCC2)nc(C)[nH+]1 ZINC000037859958 369119984 /nfs/dbraw/zinc/11/99/84/369119984.db2.gz XGNBYXAJBHORPE-UHFFFAOYSA-N 2 1 276.428 3.160 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccnc1 ZINC000037901099 369124014 /nfs/dbraw/zinc/12/40/14/369124014.db2.gz KSLREGVRLFRRHW-HNNXBMFYSA-N 2 1 275.440 3.387 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccnc1 ZINC000037901099 369124018 /nfs/dbraw/zinc/12/40/18/369124018.db2.gz KSLREGVRLFRRHW-HNNXBMFYSA-N 2 1 275.440 3.387 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000226331560 189773207 /nfs/dbraw/zinc/77/32/07/189773207.db2.gz AFEFNSQQJWYTRM-GVXVVHGQSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000226331560 189773208 /nfs/dbraw/zinc/77/32/08/189773208.db2.gz AFEFNSQQJWYTRM-GVXVVHGQSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000052062048 369462954 /nfs/dbraw/zinc/46/29/54/369462954.db2.gz XEKIYBROZADAQJ-DYVFJYSZSA-N 2 1 254.377 3.009 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149236 369478602 /nfs/dbraw/zinc/47/86/02/369478602.db2.gz TUKOILTWZRDDDZ-UEKVPHQBSA-N 2 1 284.806 3.297 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149236 369478605 /nfs/dbraw/zinc/47/86/05/369478605.db2.gz TUKOILTWZRDDDZ-UEKVPHQBSA-N 2 1 284.806 3.297 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(F)c1 ZINC000062078672 369619556 /nfs/dbraw/zinc/61/95/56/369619556.db2.gz DWUISVSCHOPJKG-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000068691583 369746323 /nfs/dbraw/zinc/74/63/23/369746323.db2.gz FSTKYAPKRDYKRP-LBPRGKRZSA-N 2 1 289.448 3.431 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2ccccc2o1 ZINC000069754267 369770589 /nfs/dbraw/zinc/77/05/89/369770589.db2.gz YPYYBZNEEJWGRW-UHFFFAOYSA-N 2 1 269.348 3.118 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000072857987 369841546 /nfs/dbraw/zinc/84/15/46/369841546.db2.gz SYZZNXKKYOYNJA-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000072857987 369841549 /nfs/dbraw/zinc/84/15/49/369841549.db2.gz SYZZNXKKYOYNJA-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000072857987 369841550 /nfs/dbraw/zinc/84/15/50/369841550.db2.gz SYZZNXKKYOYNJA-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000072857987 369841555 /nfs/dbraw/zinc/84/15/55/369841555.db2.gz SYZZNXKKYOYNJA-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000070148470 369782705 /nfs/dbraw/zinc/78/27/05/369782705.db2.gz HJAIVAAFYYKYOO-AWEZNQCLSA-N 2 1 258.365 3.136 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070169421 369786916 /nfs/dbraw/zinc/78/69/16/369786916.db2.gz ATWKHHBYAHGQAQ-OAHLLOKOSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1ccccc1[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000276696384 193431340 /nfs/dbraw/zinc/43/13/40/193431340.db2.gz SUFHMRAAQYMDBQ-QGZVFWFLSA-N 2 1 271.408 3.258 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859558 369841880 /nfs/dbraw/zinc/84/18/80/369841880.db2.gz NKGAWFQNIYFSJW-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859558 369841885 /nfs/dbraw/zinc/84/18/85/369841885.db2.gz NKGAWFQNIYFSJW-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859558 369841888 /nfs/dbraw/zinc/84/18/88/369841888.db2.gz NKGAWFQNIYFSJW-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP CC1(C)CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079626962 369972809 /nfs/dbraw/zinc/97/28/09/369972809.db2.gz RBIKNFBWJZYSOU-CYBMUJFWSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000088164009 370031589 /nfs/dbraw/zinc/03/15/89/370031589.db2.gz IMBYAWISIQCMLH-ALOPSCKCSA-N 2 1 258.409 3.100 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3)CC[C@@H]21 ZINC000092043456 370090407 /nfs/dbraw/zinc/09/04/07/370090407.db2.gz ZOCIGKRRYYAWDQ-DHSOXLPSSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3)CC[C@@H]21 ZINC000092043456 370090410 /nfs/dbraw/zinc/09/04/10/370090410.db2.gz ZOCIGKRRYYAWDQ-DHSOXLPSSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)CC[C@@H]21 ZINC000092043456 370090414 /nfs/dbraw/zinc/09/04/14/370090414.db2.gz ZOCIGKRRYYAWDQ-DHSOXLPSSA-N 2 1 288.410 3.255 20 0 CGADMP Fc1ccc(/C=C/C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597822 370144966 /nfs/dbraw/zinc/14/49/66/370144966.db2.gz BHNNZQJCHZATNI-REMYHPOOSA-N 2 1 288.410 3.257 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597822 370144971 /nfs/dbraw/zinc/14/49/71/370144971.db2.gz BHNNZQJCHZATNI-REMYHPOOSA-N 2 1 288.410 3.257 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000093644286 370149721 /nfs/dbraw/zinc/14/97/21/370149721.db2.gz JJXSVPXUIHRWKV-HIFRSBDPSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000093644286 370149727 /nfs/dbraw/zinc/14/97/27/370149727.db2.gz JJXSVPXUIHRWKV-HIFRSBDPSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1F ZINC000093644286 370149732 /nfs/dbraw/zinc/14/97/32/370149732.db2.gz JJXSVPXUIHRWKV-HIFRSBDPSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1F ZINC000093644286 370149735 /nfs/dbraw/zinc/14/97/35/370149735.db2.gz JJXSVPXUIHRWKV-HIFRSBDPSA-N 2 1 264.388 3.049 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000093643773 370150105 /nfs/dbraw/zinc/15/01/05/370150105.db2.gz QZZYBYPRISVFCX-DOMZBBRYSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3cc(F)ccc3o2)CC[N@H+]1C ZINC000093643773 370150111 /nfs/dbraw/zinc/15/01/11/370150111.db2.gz QZZYBYPRISVFCX-DOMZBBRYSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3cc(F)ccc3o2)CC[NH+]1C ZINC000093643773 370150114 /nfs/dbraw/zinc/15/01/14/370150114.db2.gz QZZYBYPRISVFCX-DOMZBBRYSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3cc(F)ccc3o2)CC[NH+]1C ZINC000093643773 370150122 /nfs/dbraw/zinc/15/01/22/370150122.db2.gz QZZYBYPRISVFCX-DOMZBBRYSA-N 2 1 290.382 3.486 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000093639715 370150913 /nfs/dbraw/zinc/15/09/13/370150913.db2.gz JDRIEALCAYPICA-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000093639715 370150916 /nfs/dbraw/zinc/15/09/16/370150916.db2.gz JDRIEALCAYPICA-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000093639715 370150918 /nfs/dbraw/zinc/15/09/18/370150918.db2.gz JDRIEALCAYPICA-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000093770461 370158280 /nfs/dbraw/zinc/15/82/80/370158280.db2.gz VGJXTLNVYYPDJU-APHBUQMISA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000093770461 370158284 /nfs/dbraw/zinc/15/82/84/370158284.db2.gz VGJXTLNVYYPDJU-APHBUQMISA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093770461 370158287 /nfs/dbraw/zinc/15/82/87/370158287.db2.gz VGJXTLNVYYPDJU-APHBUQMISA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093770461 370158291 /nfs/dbraw/zinc/15/82/91/370158291.db2.gz VGJXTLNVYYPDJU-APHBUQMISA-N 2 1 276.399 3.113 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000514081149 245106993 /nfs/dbraw/zinc/10/69/93/245106993.db2.gz AYFISSVVPYUSEG-BZZMCLGOSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841947 370629006 /nfs/dbraw/zinc/62/90/06/370629006.db2.gz XAGSUFTYHBXNAD-QWHCGFSZSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841947 370629012 /nfs/dbraw/zinc/62/90/12/370629012.db2.gz XAGSUFTYHBXNAD-QWHCGFSZSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841947 370629016 /nfs/dbraw/zinc/62/90/16/370629016.db2.gz XAGSUFTYHBXNAD-QWHCGFSZSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841947 370629019 /nfs/dbraw/zinc/62/90/19/370629019.db2.gz XAGSUFTYHBXNAD-QWHCGFSZSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129720341 370997367 /nfs/dbraw/zinc/99/73/67/370997367.db2.gz VZJCGQFUQPMVAJ-JYYAWHABSA-N 2 1 292.492 3.486 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCSc3ccccc32)CC[N@@H+]1C ZINC000130075462 371012312 /nfs/dbraw/zinc/01/23/12/371012312.db2.gz MZULWBYKCPZSLT-GZBFAFLISA-N 2 1 276.449 3.296 20 0 CGADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161580 371015266 /nfs/dbraw/zinc/01/52/66/371015266.db2.gz AFRSEUPLKNTLIB-FPMFFAJLSA-N 2 1 280.362 3.242 20 0 CGADMP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130210824 371018217 /nfs/dbraw/zinc/01/82/17/371018217.db2.gz ZDUBVXLMKIJTCO-GUTXKFCHSA-N 2 1 276.449 3.342 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000131384377 371103043 /nfs/dbraw/zinc/10/30/43/371103043.db2.gz KRSIVPBMNYPBQI-QGZVFWFLSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000131384377 371103052 /nfs/dbraw/zinc/10/30/52/371103052.db2.gz KRSIVPBMNYPBQI-QGZVFWFLSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000133634366 371268100 /nfs/dbraw/zinc/26/81/00/371268100.db2.gz NOZAUXHFWHDHEA-UMVBOHGHSA-N 2 1 296.842 3.037 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134919045 371374968 /nfs/dbraw/zinc/37/49/68/371374968.db2.gz VYGRODUMUMAURC-SJLPKXTDSA-N 2 1 270.420 3.135 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134919045 371374975 /nfs/dbraw/zinc/37/49/75/371374975.db2.gz VYGRODUMUMAURC-SJLPKXTDSA-N 2 1 270.420 3.135 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134919045 371374983 /nfs/dbraw/zinc/37/49/83/371374983.db2.gz VYGRODUMUMAURC-SJLPKXTDSA-N 2 1 270.420 3.135 20 0 CGADMP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000136941033 371488980 /nfs/dbraw/zinc/48/89/80/371488980.db2.gz BHWRFDAMECMOMY-UHFFFAOYSA-N 2 1 261.413 3.030 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H](C)[C@@H]1OC ZINC000344028831 217016977 /nfs/dbraw/zinc/01/69/77/217016977.db2.gz BALZGVLSQKSCFO-XYPHTWIQSA-N 2 1 294.483 3.043 20 0 CGADMP CCOCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000151628199 371619569 /nfs/dbraw/zinc/61/95/69/371619569.db2.gz YBKXBZRDGGQZNR-DAYGRLMNSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000151519023 371609714 /nfs/dbraw/zinc/60/97/14/371609714.db2.gz PWTMKRFQBFFEQS-NXWXRZEISA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC[N@H+]1C ZINC000151519023 371609721 /nfs/dbraw/zinc/60/97/21/371609721.db2.gz PWTMKRFQBFFEQS-NXWXRZEISA-N 2 1 286.463 3.470 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCF)CC[N@@H+]1Cc1ccccc1 ZINC000151559274 371613419 /nfs/dbraw/zinc/61/34/19/371613419.db2.gz DJAPIAHQQXCWMJ-RDJZCZTQSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCF)CC[N@H+]1Cc1ccccc1 ZINC000151559274 371613427 /nfs/dbraw/zinc/61/34/27/371613427.db2.gz DJAPIAHQQXCWMJ-RDJZCZTQSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCF)CC[NH+]1Cc1ccccc1 ZINC000151559274 371613433 /nfs/dbraw/zinc/61/34/33/371613433.db2.gz DJAPIAHQQXCWMJ-RDJZCZTQSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCF)CC[NH+]1Cc1ccccc1 ZINC000151559274 371613434 /nfs/dbraw/zinc/61/34/34/371613434.db2.gz DJAPIAHQQXCWMJ-RDJZCZTQSA-N 2 1 278.415 3.331 20 0 CGADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCCC1 ZINC000421820195 371643097 /nfs/dbraw/zinc/64/30/97/371643097.db2.gz LFLUGRNIPYMNIL-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)C1 ZINC000421822455 371644341 /nfs/dbraw/zinc/64/43/41/371644341.db2.gz XBHXYKFDIORHJI-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)C1 ZINC000421822455 371644346 /nfs/dbraw/zinc/64/43/46/371644346.db2.gz XBHXYKFDIORHJI-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421826724 371649242 /nfs/dbraw/zinc/64/92/42/371649242.db2.gz UMLJQZCIRAITOL-NWDGAFQWSA-N 2 1 292.814 3.227 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)s1 ZINC000151957123 371658317 /nfs/dbraw/zinc/65/83/17/371658317.db2.gz YEVSNPSPWAZUJY-SNVBAGLBSA-N 2 1 260.834 3.394 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(C)c1 ZINC000287484709 371662022 /nfs/dbraw/zinc/66/20/22/371662022.db2.gz MZSBHJDNAYYPNK-RDJZCZTQSA-N 2 1 283.419 3.495 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422718087 371765482 /nfs/dbraw/zinc/76/54/82/371765482.db2.gz WMIJQYSXUDHTGU-DJIMGWMZSA-N 2 1 260.425 3.422 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccccc2)cc1 ZINC000422727476 371771015 /nfs/dbraw/zinc/77/10/15/371771015.db2.gz CPEJRTMUXZTYPH-BEFAXECRSA-N 2 1 280.415 3.282 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422734428 371775411 /nfs/dbraw/zinc/77/54/11/371775411.db2.gz SZPSUOLWPMSFQE-DTWKUNHWSA-N 2 1 261.196 3.209 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422749384 371781714 /nfs/dbraw/zinc/78/17/14/371781714.db2.gz YWQSLZDZQQPWSD-MGPQQGTHSA-N 2 1 261.413 3.361 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337325674 214008687 /nfs/dbraw/zinc/00/86/87/214008687.db2.gz CBVRCNDHVGEDID-SJLPKXTDSA-N 2 1 289.467 3.428 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000337337843 214015071 /nfs/dbraw/zinc/01/50/71/214015071.db2.gz NDYKQAARSSXVCP-UHFFFAOYSA-N 2 1 290.451 3.220 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422770705 371795125 /nfs/dbraw/zinc/79/51/25/371795125.db2.gz XAIZGXWKQSLTMU-NWDGAFQWSA-N 2 1 275.421 3.026 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000422774026 371796830 /nfs/dbraw/zinc/79/68/30/371796830.db2.gz ZTOIZONFAPHGJX-MKBNYLNASA-N 2 1 282.378 3.394 20 0 CGADMP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422771881 371797185 /nfs/dbraw/zinc/79/71/85/371797185.db2.gz RUUPOFQKAKEIMK-SWLSCSKDSA-N 2 1 278.827 3.102 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000422772560 371797413 /nfs/dbraw/zinc/79/74/13/371797413.db2.gz ZIAXVRNCTHFKQM-LBPRGKRZSA-N 2 1 287.382 3.262 20 0 CGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422774629 371799041 /nfs/dbraw/zinc/79/90/41/371799041.db2.gz XUNLEWPAIUZJMJ-PKOBYXMFSA-N 2 1 296.414 3.278 20 0 CGADMP C[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Cc1cccs1 ZINC000422787652 371807778 /nfs/dbraw/zinc/80/77/78/371807778.db2.gz UTCOXZNMQYSNKM-VXGBXAGGSA-N 2 1 275.421 3.085 20 0 CGADMP Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422806208 371820219 /nfs/dbraw/zinc/82/02/19/371820219.db2.gz MZFOJDMCQHJWAK-QAPCUYQASA-N 2 1 268.404 3.043 20 0 CGADMP C[N@@H+](Cc1cccc2[nH]ccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289809055 371828060 /nfs/dbraw/zinc/82/80/60/371828060.db2.gz SRHCUDBGSJGNGC-XYPWUTKMSA-N 2 1 283.419 3.225 20 0 CGADMP C[NH+](Cc1cccc2[nH]ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289809055 371828063 /nfs/dbraw/zinc/82/80/63/371828063.db2.gz SRHCUDBGSJGNGC-XYPWUTKMSA-N 2 1 283.419 3.225 20 0 CGADMP C[NH+](Cc1cccc2[nH]ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289809055 371828068 /nfs/dbraw/zinc/82/80/68/371828068.db2.gz SRHCUDBGSJGNGC-XYPWUTKMSA-N 2 1 283.419 3.225 20 0 CGADMP C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(F)cc1 ZINC000289895240 371848676 /nfs/dbraw/zinc/84/86/76/371848676.db2.gz WPKMAJQMHULJLX-DTWYCDNDSA-N 2 1 290.426 3.486 20 0 CGADMP C[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000289895240 371848683 /nfs/dbraw/zinc/84/86/83/371848683.db2.gz WPKMAJQMHULJLX-DTWYCDNDSA-N 2 1 290.426 3.486 20 0 CGADMP C[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000289895240 371848689 /nfs/dbraw/zinc/84/86/89/371848689.db2.gz WPKMAJQMHULJLX-DTWYCDNDSA-N 2 1 290.426 3.486 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000422921422 371871751 /nfs/dbraw/zinc/87/17/51/371871751.db2.gz PQLQBYNJHXZUPF-RNSXUZJQSA-N 2 1 289.206 3.142 20 0 CGADMP COC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000422958198 371891551 /nfs/dbraw/zinc/89/15/51/371891551.db2.gz XARUYDOICAPMJM-NXHRZFHOSA-N 2 1 290.451 3.275 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC(c2ccccc2)C1 ZINC000422966614 371895849 /nfs/dbraw/zinc/89/58/49/371895849.db2.gz NWBMFSNRMXORJB-VUVIGMMVSA-N 2 1 294.442 3.481 20 0 CGADMP CC[C@H](CSc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423005278 371911823 /nfs/dbraw/zinc/91/18/23/371911823.db2.gz RBFMBVOXOQYYBI-IIAWOOMASA-N 2 1 278.465 3.287 20 0 CGADMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCCCC1 ZINC000423032081 371924307 /nfs/dbraw/zinc/92/43/07/371924307.db2.gz VOBOEFQBTGYNGA-ZACQAIPSSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423099339 371963533 /nfs/dbraw/zinc/96/35/33/371963533.db2.gz TWGXUDITRYYWIW-WSMBLCCSSA-N 2 1 276.399 3.192 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290342328 371968148 /nfs/dbraw/zinc/96/81/48/371968148.db2.gz FMBJLYPOAMQSKK-DOTOQJQBSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290342328 371968151 /nfs/dbraw/zinc/96/81/51/371968151.db2.gz FMBJLYPOAMQSKK-DOTOQJQBSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290342328 371968160 /nfs/dbraw/zinc/96/81/60/371968160.db2.gz FMBJLYPOAMQSKK-DOTOQJQBSA-N 2 1 290.476 3.325 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423103341 371968345 /nfs/dbraw/zinc/96/83/45/371968345.db2.gz PBRNWGGGLICBQJ-UQHVZDHRSA-N 2 1 281.403 3.265 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCC2)c2ccccc21 ZINC000423114970 371975492 /nfs/dbraw/zinc/97/54/92/371975492.db2.gz WQKOLAFRYQACRD-STQMWFEESA-N 2 1 284.325 3.453 20 0 CGADMP CCOCC(C)(C)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423124986 371978996 /nfs/dbraw/zinc/97/89/96/371978996.db2.gz PSINTTACBSAXNR-IRXDYDNUSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423128580 371981203 /nfs/dbraw/zinc/98/12/03/371981203.db2.gz LCUSSNGLHXEUEX-WNOSKKOXSA-N 2 1 276.399 3.192 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCCSC3)CC[NH2+]2)cc1 ZINC000423134965 371985052 /nfs/dbraw/zinc/98/50/52/371985052.db2.gz XIKQFYPCBPBZDB-XIRDDKMYSA-N 2 1 290.476 3.213 20 0 CGADMP [NH3+][C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCSC3)C2)c2ccccc21 ZINC000423168192 371999833 /nfs/dbraw/zinc/99/98/33/371999833.db2.gz XOQMNSFIUOSGHF-IKGGRYGDSA-N 2 1 288.460 3.350 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000423073068 371948169 /nfs/dbraw/zinc/94/81/69/371948169.db2.gz KKSOAQSSMNXYFD-UBDQQSCGSA-N 2 1 272.436 3.300 20 0 CGADMP CCCNc1ccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423079593 371951652 /nfs/dbraw/zinc/95/16/52/371951652.db2.gz YLOBFUURIMHTDI-SJORKVTESA-N 2 1 275.440 3.129 20 0 CGADMP Cc1cscc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423091682 371955638 /nfs/dbraw/zinc/95/56/38/371955638.db2.gz YDULBEVVFWUJGP-CJNGLKHVSA-N 2 1 274.433 3.105 20 0 CGADMP [NH3+]CC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423190132 372016921 /nfs/dbraw/zinc/01/69/21/372016921.db2.gz RUDAUAXTYAVIAB-UHFFFAOYSA-N 2 1 286.341 3.280 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423193993 372018625 /nfs/dbraw/zinc/01/86/25/372018625.db2.gz XWHGJISLHGHUFG-ZWKOTPCHSA-N 2 1 289.467 3.366 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccnc1 ZINC000423194920 372018766 /nfs/dbraw/zinc/01/87/66/372018766.db2.gz ZMUGOPKGKAFAPT-SFHVURJKSA-N 2 1 298.434 3.087 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1O ZINC000423198180 372023753 /nfs/dbraw/zinc/02/37/53/372023753.db2.gz DNEYHUIIDGTGEM-ZDUSSCGKSA-N 2 1 292.423 3.103 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200008 372025593 /nfs/dbraw/zinc/02/55/93/372025593.db2.gz LHZXYNRCMQRINX-AWEZNQCLSA-N 2 1 276.424 3.398 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000423208563 372030993 /nfs/dbraw/zinc/03/09/93/372030993.db2.gz ZCYSGWZXMMIWKM-SFHVURJKSA-N 2 1 286.394 3.423 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423278019 372045868 /nfs/dbraw/zinc/04/58/68/372045868.db2.gz QJBSEIQZLSPCJP-UONOGXRCSA-N 2 1 297.240 3.009 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423374429 372055241 /nfs/dbraw/zinc/05/52/41/372055241.db2.gz SVOMOGHQEFQIID-LRCAOYNASA-N 2 1 294.389 3.189 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCCCC1 ZINC000423175643 372005070 /nfs/dbraw/zinc/00/50/70/372005070.db2.gz FFQAQNOQJCQAII-MRXNPFEDSA-N 2 1 273.424 3.174 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccccc32)CCCCC1 ZINC000423175921 372005217 /nfs/dbraw/zinc/00/52/17/372005217.db2.gz FQELKVOSNWEZFT-AWEZNQCLSA-N 2 1 276.449 3.475 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(Cl)c1F)CC[NH2+]CC2 ZINC000424289136 372081896 /nfs/dbraw/zinc/08/18/96/372081896.db2.gz LSBFLYCVIVMFIH-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)s1 ZINC000424372216 372085687 /nfs/dbraw/zinc/08/56/87/372085687.db2.gz HOEFEKQBBCJTRS-ZLKJLUDKSA-N 2 1 252.427 3.285 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000424370503 372085706 /nfs/dbraw/zinc/08/57/06/372085706.db2.gz DKFOUYGBCRSTMT-QLFBSQMISA-N 2 1 264.800 3.187 20 0 CGADMP CC(C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158914516 372091134 /nfs/dbraw/zinc/09/11/34/372091134.db2.gz DFHYVYFMEJGXAJ-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCSc3ccccc3)C2)C1 ZINC000292897113 372241767 /nfs/dbraw/zinc/24/17/67/372241767.db2.gz GGOPBZFCHFYVKN-KRWDZBQOSA-N 2 1 290.476 3.196 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCSc3ccccc3)C2)C1 ZINC000292897113 372241777 /nfs/dbraw/zinc/24/17/77/372241777.db2.gz GGOPBZFCHFYVKN-KRWDZBQOSA-N 2 1 290.476 3.196 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCSc3ccccc3)C2)C1 ZINC000292897113 372241786 /nfs/dbraw/zinc/24/17/86/372241786.db2.gz GGOPBZFCHFYVKN-KRWDZBQOSA-N 2 1 290.476 3.196 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000160970312 372291911 /nfs/dbraw/zinc/29/19/11/372291911.db2.gz BQAFNXCDYIYOIO-YGRLFVJLSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000160970312 372291915 /nfs/dbraw/zinc/29/19/15/372291915.db2.gz BQAFNXCDYIYOIO-YGRLFVJLSA-N 2 1 270.779 3.051 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293097405 372297815 /nfs/dbraw/zinc/29/78/15/372297815.db2.gz XNVZUFNWIZZDMW-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293097405 372297817 /nfs/dbraw/zinc/29/78/17/372297817.db2.gz XNVZUFNWIZZDMW-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293097405 372297822 /nfs/dbraw/zinc/29/78/22/372297822.db2.gz XNVZUFNWIZZDMW-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293097405 372297826 /nfs/dbraw/zinc/29/78/26/372297826.db2.gz XNVZUFNWIZZDMW-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344295319 217137570 /nfs/dbraw/zinc/13/75/70/217137570.db2.gz JVKVPCLYNOSAJA-BMFZPTHFSA-N 2 1 250.430 3.053 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429039928 372307233 /nfs/dbraw/zinc/30/72/33/372307233.db2.gz JSZRGIOHNXPKBK-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429039928 372307236 /nfs/dbraw/zinc/30/72/36/372307236.db2.gz JSZRGIOHNXPKBK-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429039928 372307241 /nfs/dbraw/zinc/30/72/41/372307241.db2.gz JSZRGIOHNXPKBK-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000429050255 372310182 /nfs/dbraw/zinc/31/01/82/372310182.db2.gz SCQMREQRQZCPHI-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000161522192 372331180 /nfs/dbraw/zinc/33/11/80/372331180.db2.gz AAFJHBHQZXNPME-SJORKVTESA-N 2 1 290.451 3.226 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000430735400 372393593 /nfs/dbraw/zinc/39/35/93/372393593.db2.gz YXFHPSNEFQYHHC-CAOSSQGBSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1F ZINC000163471114 372473041 /nfs/dbraw/zinc/47/30/41/372473041.db2.gz MKUPTPMFWXPOSK-CZUORRHYSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(F)ccc1F ZINC000163239605 372456268 /nfs/dbraw/zinc/45/62/68/372456268.db2.gz YRKBKAOOAQOBMK-WBMJQRKESA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(F)ccc1F ZINC000163239605 372456272 /nfs/dbraw/zinc/45/62/72/372456272.db2.gz YRKBKAOOAQOBMK-WBMJQRKESA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000163305065 372460007 /nfs/dbraw/zinc/46/00/07/372460007.db2.gz BCTVFHQATLAVTD-MJGOQNOKSA-N 2 1 286.463 3.248 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000344489149 217207862 /nfs/dbraw/zinc/20/78/62/217207862.db2.gz XGAFGEHTOIIPTB-FVQBIDKESA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(OC(C)C)c1 ZINC000167694276 372602645 /nfs/dbraw/zinc/60/26/45/372602645.db2.gz VWTPXWHCOBHJTP-DOTOQJQBSA-N 2 1 290.451 3.212 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(OC(C)C)c1 ZINC000167694276 372602653 /nfs/dbraw/zinc/60/26/53/372602653.db2.gz VWTPXWHCOBHJTP-DOTOQJQBSA-N 2 1 290.451 3.212 20 0 CGADMP Cc1sccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000294131284 372589937 /nfs/dbraw/zinc/58/99/37/372589937.db2.gz NSYZZPNWYPLSEU-UHFFFAOYSA-N 2 1 252.427 3.019 20 0 CGADMP C[NH+](C)CC(C)(C)CNc1[nH+]ccc2ccccc21 ZINC000168643647 372615339 /nfs/dbraw/zinc/61/53/39/372615339.db2.gz XSJNPQJXWBNWOU-UHFFFAOYSA-N 2 1 257.381 3.235 20 0 CGADMP CCC[N@@H+](CC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000434980715 372720482 /nfs/dbraw/zinc/72/04/82/372720482.db2.gz GUUOICXJBHQDAP-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP CC[N@@H+](C/C=C/c1ccccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435395844 372758732 /nfs/dbraw/zinc/75/87/32/372758732.db2.gz VFWZHUPENRKWCT-LKUPDRCFSA-N 2 1 288.435 3.172 20 0 CGADMP CC[N@@H+](CCCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435627472 372786717 /nfs/dbraw/zinc/78/67/17/372786717.db2.gz NOUNHPMBLPWUKA-QGZVFWFLSA-N 2 1 260.425 3.083 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344646939 217260505 /nfs/dbraw/zinc/26/05/05/217260505.db2.gz WDXXYDODHYMCAB-CVEARBPZSA-N 2 1 277.456 3.107 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344646939 217260507 /nfs/dbraw/zinc/26/05/07/217260507.db2.gz WDXXYDODHYMCAB-CVEARBPZSA-N 2 1 277.456 3.107 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000353487133 220111506 /nfs/dbraw/zinc/11/15/06/220111506.db2.gz MBLBUHMEPWZELF-CABCVRRESA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000353487133 220111509 /nfs/dbraw/zinc/11/15/09/220111509.db2.gz MBLBUHMEPWZELF-CABCVRRESA-N 2 1 270.461 3.044 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H]2CCC[C@H]21 ZINC000353551725 220152677 /nfs/dbraw/zinc/15/26/77/220152677.db2.gz VWFJCIFVGULYQJ-HRCADAONSA-N 2 1 271.408 3.244 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H]2CCC[C@H]21 ZINC000353551725 220152679 /nfs/dbraw/zinc/15/26/79/220152679.db2.gz VWFJCIFVGULYQJ-HRCADAONSA-N 2 1 271.408 3.244 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC000296371616 373108886 /nfs/dbraw/zinc/10/88/86/373108886.db2.gz JFAQWOVXXOVHIM-NPYXIHBLSA-N 2 1 273.424 3.138 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444596788 373208520 /nfs/dbraw/zinc/20/85/20/373208520.db2.gz NWQNYPTVRMHCHM-MRXNPFEDSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444596788 373208530 /nfs/dbraw/zinc/20/85/30/373208530.db2.gz NWQNYPTVRMHCHM-MRXNPFEDSA-N 2 1 272.436 3.309 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000444675383 373228926 /nfs/dbraw/zinc/22/89/26/373228926.db2.gz LZGXHRQJGBECRR-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000444675383 373228932 /nfs/dbraw/zinc/22/89/32/373228932.db2.gz LZGXHRQJGBECRR-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000444675383 373228937 /nfs/dbraw/zinc/22/89/37/373228937.db2.gz LZGXHRQJGBECRR-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000174350734 373297752 /nfs/dbraw/zinc/29/77/52/373297752.db2.gz WODFVNPSQNEGMY-BMFZPTHFSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000300409952 373626884 /nfs/dbraw/zinc/62/68/84/373626884.db2.gz CSZDACNCHCBHDM-LRDDRELGSA-N 2 1 280.843 3.127 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000300409952 373626891 /nfs/dbraw/zinc/62/68/91/373626891.db2.gz CSZDACNCHCBHDM-LRDDRELGSA-N 2 1 280.843 3.127 20 0 CGADMP CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2Cl)C1 ZINC000176813058 373631152 /nfs/dbraw/zinc/63/11/52/373631152.db2.gz LJQOATZTMCACKT-LBPRGKRZSA-N 2 1 267.804 3.125 20 0 CGADMP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2Cl)C1 ZINC000176813058 373631153 /nfs/dbraw/zinc/63/11/53/373631153.db2.gz LJQOATZTMCACKT-LBPRGKRZSA-N 2 1 267.804 3.125 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300417211 373632783 /nfs/dbraw/zinc/63/27/83/373632783.db2.gz LSLXRMBIRYFAGT-IUODEOHRSA-N 2 1 266.816 3.221 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000300244179 373621413 /nfs/dbraw/zinc/62/14/13/373621413.db2.gz VKJBMFYBHKKMFX-TZMCWYRMSA-N 2 1 266.816 3.221 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000177849564 373716138 /nfs/dbraw/zinc/71/61/38/373716138.db2.gz NFVJAZQUGAUOAO-XJKCOSOUSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374130 373679152 /nfs/dbraw/zinc/67/91/52/373679152.db2.gz KOSQRKMZNKXNTB-OWCLPIDISA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374130 373679161 /nfs/dbraw/zinc/67/91/61/373679161.db2.gz KOSQRKMZNKXNTB-OWCLPIDISA-N 2 1 298.434 3.006 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000177394791 373681072 /nfs/dbraw/zinc/68/10/72/373681072.db2.gz XIMQYAVWHKYJEW-LSDHHAIUSA-N 2 1 260.425 3.285 20 0 CGADMP CCOC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979112 373731611 /nfs/dbraw/zinc/73/16/11/373731611.db2.gz ICVLSSFOMIOABQ-OAHLLOKOSA-N 2 1 278.440 3.041 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccoc1 ZINC000178099171 373743226 /nfs/dbraw/zinc/74/32/26/373743226.db2.gz YGCYMBLFNNMFDW-CABCVRRESA-N 2 1 264.413 3.442 20 0 CGADMP CCOc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000353663133 220236305 /nfs/dbraw/zinc/23/63/05/220236305.db2.gz BROGCTNGOONNNV-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000353663133 220236309 /nfs/dbraw/zinc/23/63/09/220236309.db2.gz BROGCTNGOONNNV-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000353663133 220236313 /nfs/dbraw/zinc/23/63/13/220236313.db2.gz BROGCTNGOONNNV-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000353663133 220236316 /nfs/dbraw/zinc/23/63/16/220236316.db2.gz BROGCTNGOONNNV-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CCC1 ZINC000178112115 373745154 /nfs/dbraw/zinc/74/51/54/373745154.db2.gz MBOAHJCAFUSOKP-BBRMVZONSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCC1 ZINC000178112115 373745160 /nfs/dbraw/zinc/74/51/60/373745160.db2.gz MBOAHJCAFUSOKP-BBRMVZONSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCC2)[C@@H](C)C1 ZINC000449485937 373775750 /nfs/dbraw/zinc/77/57/50/373775750.db2.gz PHVRGNCGNQIEDB-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC000178975333 373822430 /nfs/dbraw/zinc/82/24/30/373822430.db2.gz QJCMOAOKUYNASB-QAPCUYQASA-N 2 1 272.436 3.112 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1C ZINC000178974896 373822754 /nfs/dbraw/zinc/82/27/54/373822754.db2.gz NJYZUORNLRUORG-SFHVURJKSA-N 2 1 272.436 3.440 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000178642242 373802127 /nfs/dbraw/zinc/80/21/27/373802127.db2.gz WNFBBUMPZNBQTP-ZBFHGGJFSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)s1 ZINC000178642242 373802134 /nfs/dbraw/zinc/80/21/34/373802134.db2.gz WNFBBUMPZNBQTP-ZBFHGGJFSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)s1 ZINC000178642242 373802142 /nfs/dbraw/zinc/80/21/42/373802142.db2.gz WNFBBUMPZNBQTP-ZBFHGGJFSA-N 2 1 278.465 3.281 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)CC[N@H+]1C ZINC000179497983 373881183 /nfs/dbraw/zinc/88/11/83/373881183.db2.gz ZNTULWFSZDFMQP-GXTWGEPZSA-N 2 1 294.389 3.069 20 0 CGADMP Cc1cc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000302532859 373891657 /nfs/dbraw/zinc/89/16/57/373891657.db2.gz DDDGSTNTCCTSOI-GOSISDBHSA-N 2 1 295.430 3.348 20 0 CGADMP COc1ccc([C@@H](C)C[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC000449769963 373898562 /nfs/dbraw/zinc/89/85/62/373898562.db2.gz HWFGKWDRYIPMTP-HNNXBMFYSA-N 2 1 290.451 3.263 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(C)s1 ZINC000179381348 373865608 /nfs/dbraw/zinc/86/56/08/373865608.db2.gz ARBAJWQLYCTMAA-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(C)s1 ZINC000179381348 373865611 /nfs/dbraw/zinc/86/56/11/373865611.db2.gz ARBAJWQLYCTMAA-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000180441383 374006798 /nfs/dbraw/zinc/00/67/98/374006798.db2.gz JSJWTSDKDQIBHL-UHFFFAOYSA-N 2 1 295.496 3.395 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000180441383 374006805 /nfs/dbraw/zinc/00/68/05/374006805.db2.gz JSJWTSDKDQIBHL-UHFFFAOYSA-N 2 1 295.496 3.395 20 0 CGADMP Cn1cc[nH+]c1CC1CC[NH+](CC2=CCCCC2)CC1 ZINC000450372121 374087478 /nfs/dbraw/zinc/08/74/78/374087478.db2.gz MMWICUKEZLERLM-UHFFFAOYSA-N 2 1 273.424 3.175 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450449600 374137179 /nfs/dbraw/zinc/13/71/79/374137179.db2.gz FPBZOKNYBDPWLH-CABCVRRESA-N 2 1 288.426 3.476 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714221 374192302 /nfs/dbraw/zinc/19/23/02/374192302.db2.gz KGLSTSSDSDLFQN-QGZVFWFLSA-N 2 1 284.403 3.200 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309714221 374192319 /nfs/dbraw/zinc/19/23/19/374192319.db2.gz KGLSTSSDSDLFQN-QGZVFWFLSA-N 2 1 284.403 3.200 20 0 CGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C)no2)cc1 ZINC000314110779 374312786 /nfs/dbraw/zinc/31/27/86/374312786.db2.gz FNZUEGYTFNDPNL-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1-n1cccn1 ZINC000183176332 374381576 /nfs/dbraw/zinc/38/15/76/374381576.db2.gz SHXDFJLGTCILGW-HZPDHXFCSA-N 2 1 298.434 3.007 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000086906239 541942067 /nfs/dbraw/zinc/94/20/67/541942067.db2.gz PIKFHIRGGIEGPU-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1C ZINC000453389453 374473105 /nfs/dbraw/zinc/47/31/05/374473105.db2.gz CLPFEOZUBGDCIG-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000453407050 374475261 /nfs/dbraw/zinc/47/52/61/374475261.db2.gz RSDGXRBJOMUEEJ-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601708 374477084 /nfs/dbraw/zinc/47/70/84/374477084.db2.gz VJFOYBWZJSLIIS-RDJZCZTQSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000333630655 374612322 /nfs/dbraw/zinc/61/23/22/374612322.db2.gz VRERSWYJQBDZIU-XQQFMLRXSA-N 2 1 292.427 3.122 20 0 CGADMP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000333630655 374612329 /nfs/dbraw/zinc/61/23/29/374612329.db2.gz VRERSWYJQBDZIU-XQQFMLRXSA-N 2 1 292.427 3.122 20 0 CGADMP C[C@@H]([NH2+]CCOC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680821 374713633 /nfs/dbraw/zinc/71/36/33/374713633.db2.gz VCXPCWAEVQOVJH-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334711021 374994404 /nfs/dbraw/zinc/99/44/04/374994404.db2.gz YCPDHVYFRKHINM-LBPRGKRZSA-N 2 1 280.362 3.101 20 0 CGADMP CCC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000473018770 375041503 /nfs/dbraw/zinc/04/15/03/375041503.db2.gz DEHDPEOINWFNEP-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000472748119 375031124 /nfs/dbraw/zinc/03/11/24/375031124.db2.gz ILWISOBGKBOEGX-QZTJIDSGSA-N 2 1 272.436 3.350 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC(F)(F)CC3)CC[C@@H]21 ZINC000334785839 375031273 /nfs/dbraw/zinc/03/12/73/375031273.db2.gz DAKJMKKYADVFRO-GJZGRUSLSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCC(F)(F)CC3)CC[C@@H]21 ZINC000334785839 375031277 /nfs/dbraw/zinc/03/12/77/375031277.db2.gz DAKJMKKYADVFRO-GJZGRUSLSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@@H]21 ZINC000334785839 375031289 /nfs/dbraw/zinc/03/12/89/375031289.db2.gz DAKJMKKYADVFRO-GJZGRUSLSA-N 2 1 286.410 3.228 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000335034150 375082958 /nfs/dbraw/zinc/08/29/58/375082958.db2.gz JIPFRZMCTBOPHH-TVQRCGJNSA-N 2 1 282.840 3.074 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000187737715 375083583 /nfs/dbraw/zinc/08/35/83/375083583.db2.gz GNKOUUAJUBKZAS-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Nc1ccccc1 ZINC000482641370 375171446 /nfs/dbraw/zinc/17/14/46/375171446.db2.gz JIZDQRFDQUAWFR-NXHRZFHOSA-N 2 1 289.467 3.053 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CCC1 ZINC000474485248 375115457 /nfs/dbraw/zinc/11/54/57/375115457.db2.gz PEQDALDEGROMKS-CJNGLKHVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2ncsc2c1 ZINC000335820578 375458256 /nfs/dbraw/zinc/45/82/56/375458256.db2.gz JWHAOGOZZJXAGJ-NSHDSACASA-N 2 1 275.421 3.041 20 0 CGADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1C ZINC000335801165 375441957 /nfs/dbraw/zinc/44/19/57/375441957.db2.gz HFPSHIAWLUBSAK-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP C[N@@H+](CCCn1ccnc1)Cc1cc(Cl)ccc1F ZINC000189784892 375445991 /nfs/dbraw/zinc/44/59/91/375445991.db2.gz RYBYMQHTCYZSHA-UHFFFAOYSA-N 2 1 281.762 3.198 20 0 CGADMP CN(CCCn1ccnc1)Cc1cc(Cl)ccc1F ZINC000189784892 375445995 /nfs/dbraw/zinc/44/59/95/375445995.db2.gz RYBYMQHTCYZSHA-UHFFFAOYSA-N 2 1 281.762 3.198 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000495163379 375497783 /nfs/dbraw/zinc/49/77/83/375497783.db2.gz IUYHWRUYUGTOPO-XUWVNRHRSA-N 2 1 282.497 3.077 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C[C@H](C)O1 ZINC000192019263 375690115 /nfs/dbraw/zinc/69/01/15/375690115.db2.gz UVZZDZFIIQHDRV-YJBOKZPZSA-N 2 1 299.418 3.180 20 0 CGADMP CC[C@@H](C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192098811 375698403 /nfs/dbraw/zinc/69/84/03/375698403.db2.gz IDBXLYVOXKBFJI-CQSZACIVSA-N 2 1 257.381 3.411 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCCC1(F)F)CC2 ZINC000336198888 375758084 /nfs/dbraw/zinc/75/80/84/375758084.db2.gz VZCQVKXATQFSIN-AWEZNQCLSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCCC1(F)F)CC2 ZINC000336198888 375758089 /nfs/dbraw/zinc/75/80/89/375758089.db2.gz VZCQVKXATQFSIN-AWEZNQCLSA-N 2 1 286.410 3.372 20 0 CGADMP CCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000127576296 542046462 /nfs/dbraw/zinc/04/64/62/542046462.db2.gz MEHWKUMRVDQNIB-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192922296 375802419 /nfs/dbraw/zinc/80/24/19/375802419.db2.gz HVILECKMTCAIPS-SFHVURJKSA-N 2 1 296.414 3.004 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(F)cc(F)c2)CC1 ZINC000336522761 375803797 /nfs/dbraw/zinc/80/37/97/375803797.db2.gz CNRWBBPJMVZCSZ-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(F)cc(F)c2)CC1 ZINC000336522761 375803808 /nfs/dbraw/zinc/80/38/08/375803808.db2.gz CNRWBBPJMVZCSZ-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC000192938504 375806288 /nfs/dbraw/zinc/80/62/88/375806288.db2.gz LBKSXFBKDCOCCB-HQSKLWIPSA-N 2 1 287.451 3.036 20 0 CGADMP c1ccc2c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccnc2c1 ZINC000515002729 375808259 /nfs/dbraw/zinc/80/82/59/375808259.db2.gz UETCARUTGPGWHY-BEFAXECRSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000129890549 542059621 /nfs/dbraw/zinc/05/96/21/542059621.db2.gz JKTAYBARANDAKO-MRXNPFEDSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000193285528 375852271 /nfs/dbraw/zinc/85/22/71/375852271.db2.gz DTLZTQIYOIISEI-GOOCMWNKSA-N 2 1 278.827 3.363 20 0 CGADMP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336716507 375918157 /nfs/dbraw/zinc/91/81/57/375918157.db2.gz PITZCQUIPQPFSC-OAHLLOKOSA-N 2 1 290.451 3.054 20 0 CGADMP CSc1ccccc1[C@H](C)NC1CC[NH+](C)CC1 ZINC000194836885 376047753 /nfs/dbraw/zinc/04/77/53/376047753.db2.gz OUUBTQYNFCVKLC-LBPRGKRZSA-N 2 1 264.438 3.153 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000194836885 376047757 /nfs/dbraw/zinc/04/77/57/376047757.db2.gz OUUBTQYNFCVKLC-LBPRGKRZSA-N 2 1 264.438 3.153 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000536068899 376077806 /nfs/dbraw/zinc/07/78/06/376077806.db2.gz OOVUXXGJXIUFSO-OLZOCXBDSA-N 2 1 273.355 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000536865514 376139587 /nfs/dbraw/zinc/13/95/87/376139587.db2.gz VHEKKHXAHHTBTE-CZUORRHYSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)CCOC)CC1)CC(C)C ZINC000536887979 376141536 /nfs/dbraw/zinc/14/15/36/376141536.db2.gz HOSVOMYNRQRUQA-QGZVFWFLSA-N 2 1 298.515 3.491 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)ccc2c1 ZINC000215977177 376155598 /nfs/dbraw/zinc/15/55/98/376155598.db2.gz DKIPQNIHRMVCEG-HIFRSBDPSA-N 2 1 284.403 3.018 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C2(CC)CC)C1 ZINC000537296788 376160305 /nfs/dbraw/zinc/16/03/05/376160305.db2.gz ZZIQGQNJPLUODU-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000132149975 542075526 /nfs/dbraw/zinc/07/55/26/542075526.db2.gz LZEOZSIWKROZTQ-WWTUQBGBSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000132149975 542075530 /nfs/dbraw/zinc/07/55/30/542075530.db2.gz LZEOZSIWKROZTQ-WWTUQBGBSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217507380 376175206 /nfs/dbraw/zinc/17/52/06/376175206.db2.gz WVHZALPODIJLLG-NEPJUHHUSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217507380 376175213 /nfs/dbraw/zinc/17/52/13/376175213.db2.gz WVHZALPODIJLLG-NEPJUHHUSA-N 2 1 297.240 3.181 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000337378020 376217305 /nfs/dbraw/zinc/21/73/05/376217305.db2.gz BSHMYFYGRYKYQI-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CC)cc2)C1 ZINC000538722680 376261222 /nfs/dbraw/zinc/26/12/22/376261222.db2.gz GCNIDVOHQXJHJY-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CC)cc2)C1 ZINC000538722680 376261226 /nfs/dbraw/zinc/26/12/26/376261226.db2.gz GCNIDVOHQXJHJY-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CC)cc2)C1 ZINC000538722680 376261232 /nfs/dbraw/zinc/26/12/32/376261232.db2.gz GCNIDVOHQXJHJY-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000538737612 376264953 /nfs/dbraw/zinc/26/49/53/376264953.db2.gz PRJJPVGKNJZHAD-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000538737612 376264960 /nfs/dbraw/zinc/26/49/60/376264960.db2.gz PRJJPVGKNJZHAD-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000538737612 376264970 /nfs/dbraw/zinc/26/49/70/376264970.db2.gz PRJJPVGKNJZHAD-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000538737612 376264978 /nfs/dbraw/zinc/26/49/78/376264978.db2.gz PRJJPVGKNJZHAD-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP FC1(F)CCC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000338319776 376332277 /nfs/dbraw/zinc/33/22/77/376332277.db2.gz RRZDYEUGOWNIOR-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)CC(C)C ZINC000132941023 542077644 /nfs/dbraw/zinc/07/76/44/542077644.db2.gz QFWXUOVZWCPACF-SJLPKXTDSA-N 3 1 297.531 3.063 20 0 CGADMP CC(C)[N@@H+](C)CCCNCc1cc(Cl)cs1 ZINC000226373779 376355001 /nfs/dbraw/zinc/35/50/01/376355001.db2.gz OLHMGLJRZHLBMB-UHFFFAOYSA-N 2 1 260.834 3.221 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC000226373779 376355004 /nfs/dbraw/zinc/35/50/04/376355004.db2.gz OLHMGLJRZHLBMB-UHFFFAOYSA-N 2 1 260.834 3.221 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC000226373779 376355007 /nfs/dbraw/zinc/35/50/07/376355007.db2.gz OLHMGLJRZHLBMB-UHFFFAOYSA-N 2 1 260.834 3.221 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000226536799 376362973 /nfs/dbraw/zinc/36/29/73/376362973.db2.gz YLAMYCILCHAIRE-GVXVVHGQSA-N 2 1 252.789 3.070 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCCF)CC1)CC(C)C ZINC000540196811 376365969 /nfs/dbraw/zinc/36/59/69/376365969.db2.gz WKHJWJAGBKJLSO-UHFFFAOYSA-N 2 1 272.452 3.426 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)C12CCCCC2 ZINC000226811111 376375772 /nfs/dbraw/zinc/37/57/72/376375772.db2.gz DDNDWAZHZHFTNK-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)C[C@H]21 ZINC000228536653 376440190 /nfs/dbraw/zinc/44/01/90/376440190.db2.gz UVDGKGYPHOEWJS-KZNAEPCWSA-N 2 1 270.420 3.123 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCCCCC2)C1 ZINC000541552946 376458500 /nfs/dbraw/zinc/45/85/00/376458500.db2.gz XQXAQOKIKJFTQG-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC000230047885 376482216 /nfs/dbraw/zinc/48/22/16/376482216.db2.gz UPSJGZMBIGHJMK-RIEGTJTDSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC000230047885 376482222 /nfs/dbraw/zinc/48/22/22/376482222.db2.gz UPSJGZMBIGHJMK-RIEGTJTDSA-N 2 1 282.790 3.038 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000541909003 376493474 /nfs/dbraw/zinc/49/34/74/376493474.db2.gz JONDVIGELCGHBB-AEFFLSMTSA-N 2 1 274.452 3.139 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000338777853 376528363 /nfs/dbraw/zinc/52/83/63/376528363.db2.gz HVVCEDIWXQSXJH-ZDUSSCGKSA-N 2 1 275.440 3.386 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000230991512 376549121 /nfs/dbraw/zinc/54/91/21/376549121.db2.gz ZIONOZZTQPSHSG-GDBMZVCRSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc(C)cc(OCCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000234290043 376615718 /nfs/dbraw/zinc/61/57/18/376615718.db2.gz FOPSOSJIQDVXMJ-QGZVFWFLSA-N 2 1 290.451 3.146 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000235379643 376639237 /nfs/dbraw/zinc/63/92/37/376639237.db2.gz GTFMXYDGSGVNTN-OCCSQVGLSA-N 2 1 266.816 3.160 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCc2ccccc2C1 ZINC000543842231 376682787 /nfs/dbraw/zinc/68/27/87/376682787.db2.gz JTTJWWMNVJXFDQ-DLBZAZTESA-N 2 1 286.463 3.065 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CCc2ccccc2C1 ZINC000543842231 376682788 /nfs/dbraw/zinc/68/27/88/376682788.db2.gz JTTJWWMNVJXFDQ-DLBZAZTESA-N 2 1 286.463 3.065 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CCc2ccccc2C1 ZINC000543842231 376682792 /nfs/dbraw/zinc/68/27/92/376682792.db2.gz JTTJWWMNVJXFDQ-DLBZAZTESA-N 2 1 286.463 3.065 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCC(C)CC1 ZINC000236729037 376688357 /nfs/dbraw/zinc/68/83/57/376688357.db2.gz WZGIQUKDLVQHEK-GDBMZVCRSA-N 2 1 252.446 3.131 20 0 CGADMP CC1CCC(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339441802 376755830 /nfs/dbraw/zinc/75/58/30/376755830.db2.gz PPVMLVBHBFWFRO-OFLPRAFFSA-N 2 1 264.457 3.230 20 0 CGADMP CC1CCC(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000339441802 376755838 /nfs/dbraw/zinc/75/58/38/376755838.db2.gz PPVMLVBHBFWFRO-OFLPRAFFSA-N 2 1 264.457 3.230 20 0 CGADMP CC1CCC(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000339441802 376755847 /nfs/dbraw/zinc/75/58/47/376755847.db2.gz PPVMLVBHBFWFRO-OFLPRAFFSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000245513747 376839159 /nfs/dbraw/zinc/83/91/59/376839159.db2.gz DNLHFEOSYIWDJS-OWCLPIDISA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000245513747 376839163 /nfs/dbraw/zinc/83/91/63/376839163.db2.gz DNLHFEOSYIWDJS-OWCLPIDISA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000245513747 376839171 /nfs/dbraw/zinc/83/91/71/376839171.db2.gz DNLHFEOSYIWDJS-OWCLPIDISA-N 2 1 275.440 3.100 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245787341 376908557 /nfs/dbraw/zinc/90/85/57/376908557.db2.gz VNEMPINBGGTLJK-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245787341 376908562 /nfs/dbraw/zinc/90/85/62/376908562.db2.gz VNEMPINBGGTLJK-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245787341 376908570 /nfs/dbraw/zinc/90/85/70/376908570.db2.gz VNEMPINBGGTLJK-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245787341 376908574 /nfs/dbraw/zinc/90/85/74/376908574.db2.gz VNEMPINBGGTLJK-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)s2)[C@@H](C)C1 ZINC000245803048 376913654 /nfs/dbraw/zinc/91/36/54/376913654.db2.gz YAOXWXFNHCXUJL-WFASDCNBSA-N 2 1 266.454 3.219 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1(CC)CC ZINC000245945219 376940035 /nfs/dbraw/zinc/94/00/35/376940035.db2.gz VNUGTSBDKWJZCT-DJIMGWMZSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC12CCCC2 ZINC000340190064 376942439 /nfs/dbraw/zinc/94/24/39/376942439.db2.gz BDWJNHALBWSNJS-HNNXBMFYSA-N 2 1 261.413 3.284 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCC12CCCC2)C1CC1 ZINC000340190577 376942694 /nfs/dbraw/zinc/94/26/94/376942694.db2.gz IERXWYJBXGMPGI-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000246031944 376954390 /nfs/dbraw/zinc/95/43/90/376954390.db2.gz PVIDIUZNASANRE-MNZLEMJZSA-N 2 1 297.446 3.261 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000246345394 377013742 /nfs/dbraw/zinc/01/37/42/377013742.db2.gz HEVDYZVRZINDJS-CVEARBPZSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000246345394 377013748 /nfs/dbraw/zinc/01/37/48/377013748.db2.gz HEVDYZVRZINDJS-CVEARBPZSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246429075 377028717 /nfs/dbraw/zinc/02/87/17/377028717.db2.gz STLJDAWQPIZGJL-JKSUJKDBSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246429075 377028724 /nfs/dbraw/zinc/02/87/24/377028724.db2.gz STLJDAWQPIZGJL-JKSUJKDBSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558699493 377034921 /nfs/dbraw/zinc/03/49/21/377034921.db2.gz QPGSCAXLIGMWLH-TWMKSMIVSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254197 376998007 /nfs/dbraw/zinc/99/80/07/376998007.db2.gz WTAYKEAVRQEPTA-MJGOQNOKSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C2CC2)c1 ZINC000340315571 376998144 /nfs/dbraw/zinc/99/81/44/376998144.db2.gz HFBYBQCPDGXVLB-CQSZACIVSA-N 2 1 270.420 3.477 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246877737 377110692 /nfs/dbraw/zinc/11/06/92/377110692.db2.gz CXLUKXDXSWNJCD-LVQVYYBASA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246877737 377110704 /nfs/dbraw/zinc/11/07/04/377110704.db2.gz CXLUKXDXSWNJCD-LVQVYYBASA-N 2 1 252.446 3.274 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C12CCCC2 ZINC000246898767 377114960 /nfs/dbraw/zinc/11/49/60/377114960.db2.gz FDQWVNCEDIMYMB-BPKGMFCQSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000340468854 377081190 /nfs/dbraw/zinc/08/11/90/377081190.db2.gz UVEFTIGUTCIRKT-DZJNRPSUSA-N 2 1 290.426 3.235 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000246823094 377097091 /nfs/dbraw/zinc/09/70/91/377097091.db2.gz AATJCPLYNMFJOW-XHDPSFHLSA-N 2 1 284.806 3.299 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000246823094 377097101 /nfs/dbraw/zinc/09/71/01/377097101.db2.gz AATJCPLYNMFJOW-XHDPSFHLSA-N 2 1 284.806 3.299 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@H]1c1ccccc1 ZINC000247295568 377189684 /nfs/dbraw/zinc/18/96/84/377189684.db2.gz OCGQMQMXJNWCAJ-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@H]1c1ccccc1 ZINC000247295568 377189689 /nfs/dbraw/zinc/18/96/89/377189689.db2.gz OCGQMQMXJNWCAJ-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000247295568 377189695 /nfs/dbraw/zinc/18/96/95/377189695.db2.gz OCGQMQMXJNWCAJ-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000247295568 377189702 /nfs/dbraw/zinc/18/97/02/377189702.db2.gz OCGQMQMXJNWCAJ-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(F)c1 ZINC000340661325 377196912 /nfs/dbraw/zinc/19/69/12/377196912.db2.gz KMGWRPOJHYIORJ-UHFFFAOYSA-N 2 1 282.378 3.273 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(F)c1 ZINC000340661325 377196917 /nfs/dbraw/zinc/19/69/17/377196917.db2.gz KMGWRPOJHYIORJ-UHFFFAOYSA-N 2 1 282.378 3.273 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCSc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000560521387 377164261 /nfs/dbraw/zinc/16/42/61/377164261.db2.gz KPGFFNAHAHQIMS-YESZJQIVSA-N 2 1 290.476 3.241 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000560594364 377177593 /nfs/dbraw/zinc/17/75/93/377177593.db2.gz HGDUOYAHHJKCQC-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000560594364 377177600 /nfs/dbraw/zinc/17/76/00/377177600.db2.gz HGDUOYAHHJKCQC-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000560594364 377177604 /nfs/dbraw/zinc/17/76/04/377177604.db2.gz HGDUOYAHHJKCQC-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000340683795 377213886 /nfs/dbraw/zinc/21/38/86/377213886.db2.gz QXLCUCIZNLANDX-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000340683795 377213893 /nfs/dbraw/zinc/21/38/93/377213893.db2.gz QXLCUCIZNLANDX-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000562040156 377268927 /nfs/dbraw/zinc/26/89/27/377268927.db2.gz MPLPYRHQJDREQJ-OTWHNJEPSA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247966433 377248715 /nfs/dbraw/zinc/24/87/15/377248715.db2.gz GWJYYVMMPYTGST-BQFCYCMXSA-N 2 1 274.452 3.418 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1Br ZINC000561970516 377259677 /nfs/dbraw/zinc/25/96/77/377259677.db2.gz OKBHAJOIMXRXRH-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1Br ZINC000561970516 377259683 /nfs/dbraw/zinc/25/96/83/377259683.db2.gz OKBHAJOIMXRXRH-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000247388471 377200772 /nfs/dbraw/zinc/20/07/72/377200772.db2.gz VMRNZBBFLAHEST-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP COc1c(C)cc(C[N@H+](C)CCC[NH+]2CCCC2)cc1C ZINC000340809526 377271036 /nfs/dbraw/zinc/27/10/36/377271036.db2.gz AJMUNWMLBHUEME-UHFFFAOYSA-N 2 1 290.451 3.230 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1C ZINC000340809526 377271046 /nfs/dbraw/zinc/27/10/46/377271046.db2.gz AJMUNWMLBHUEME-UHFFFAOYSA-N 2 1 290.451 3.230 20 0 CGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccoc2)[C@H](C)C1 ZINC000248197989 377278961 /nfs/dbraw/zinc/27/89/61/377278961.db2.gz XSCWMGOCMFYXLQ-INMHGKMJSA-N 2 1 294.439 3.067 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccoc2)[C@H](C)C1 ZINC000248197989 377278970 /nfs/dbraw/zinc/27/89/70/377278970.db2.gz XSCWMGOCMFYXLQ-INMHGKMJSA-N 2 1 294.439 3.067 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(CC)CC ZINC000248760172 377398376 /nfs/dbraw/zinc/39/83/76/377398376.db2.gz DJPUVBHSXJTDET-LDBYLJPUSA-N 2 1 294.483 3.185 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000249385191 377496289 /nfs/dbraw/zinc/49/62/89/377496289.db2.gz ZAVWSAUICJGUBU-CHWSQXEVSA-N 2 1 298.377 3.280 20 0 CGADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000088537008 249026291 /nfs/dbraw/zinc/02/62/91/249026291.db2.gz DDJPYYFJBPQHCD-WMZOPIPTSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@H](C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000088537008 249026295 /nfs/dbraw/zinc/02/62/95/249026295.db2.gz DDJPYYFJBPQHCD-WMZOPIPTSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000088537008 249026297 /nfs/dbraw/zinc/02/62/97/249026297.db2.gz DDJPYYFJBPQHCD-WMZOPIPTSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313343697 249091476 /nfs/dbraw/zinc/09/14/76/249091476.db2.gz OXBLZRSJUCQHGJ-WMLDXEAASA-N 2 1 290.451 3.095 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1C ZINC000313805036 249092970 /nfs/dbraw/zinc/09/29/70/249092970.db2.gz GXYGMXHKGQIEAF-FGTMMUONSA-N 2 1 287.451 3.099 20 0 CGADMP CC(C)(C)OCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000168312429 542177174 /nfs/dbraw/zinc/17/71/74/542177174.db2.gz IQHVFFPJUCWASY-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP Cc1cc2cc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)oc2cc1C ZINC000469857913 249160189 /nfs/dbraw/zinc/16/01/89/249160189.db2.gz YZXIRJWKOHZNBT-KBPBESRZSA-N 2 1 272.392 3.219 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000469864813 249160515 /nfs/dbraw/zinc/16/05/15/249160515.db2.gz GNWCIQXNSRDSQK-QWHCGFSZSA-N 2 1 288.366 3.255 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000250605687 377563351 /nfs/dbraw/zinc/56/33/51/377563351.db2.gz LEGGIUXQRSYDTC-JSGCOSHPSA-N 2 1 264.438 3.057 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000514803355 249189695 /nfs/dbraw/zinc/18/96/95/249189695.db2.gz YNCHESANVWFUJV-VMXHOPILSA-N 2 1 284.447 3.253 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251295804 377580308 /nfs/dbraw/zinc/58/03/08/377580308.db2.gz XELZYBKDZJOLFA-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000251790189 377598117 /nfs/dbraw/zinc/59/81/17/377598117.db2.gz VPGOYCNCZPLHTK-CFVMTHIKSA-N 2 1 292.398 3.112 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c2ccccc12 ZINC000251837239 377601531 /nfs/dbraw/zinc/60/15/31/377601531.db2.gz QBXFPKHERLDTBX-CXAGYDPISA-N 2 1 284.403 3.018 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251973015 377608609 /nfs/dbraw/zinc/60/86/09/377608609.db2.gz YGQNKJNEAYHSLZ-MGLUKCQKSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251973015 377608616 /nfs/dbraw/zinc/60/86/16/377608616.db2.gz YGQNKJNEAYHSLZ-MGLUKCQKSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](C)C2 ZINC000180635518 542212973 /nfs/dbraw/zinc/21/29/73/542212973.db2.gz FGTMPRGMKMMWTO-SZXPJGKVSA-N 2 1 272.436 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](C)C2 ZINC000180635518 542212980 /nfs/dbraw/zinc/21/29/80/542212980.db2.gz FGTMPRGMKMMWTO-SZXPJGKVSA-N 2 1 272.436 3.301 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000342236718 377636185 /nfs/dbraw/zinc/63/61/85/377636185.db2.gz SSXXTJOIZBPBGS-MJSXRHKHSA-N 2 1 250.430 3.293 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252700202 377651384 /nfs/dbraw/zinc/65/13/84/377651384.db2.gz YMXVQENWXDMUDW-HZPDHXFCSA-N 2 1 290.451 3.177 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000253100502 377676423 /nfs/dbraw/zinc/67/64/23/377676423.db2.gz ABHGOGRSKGRZAS-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP Cc1ccsc1C[N@H+](C)Cc1cccc2nccn21 ZINC000342676914 377728612 /nfs/dbraw/zinc/72/86/12/377728612.db2.gz DOLKHERJSUAJRZ-UHFFFAOYSA-N 2 1 271.389 3.336 20 0 CGADMP Cc1ccsc1CN(C)Cc1cccc2nccn21 ZINC000342676914 377728616 /nfs/dbraw/zinc/72/86/16/377728616.db2.gz DOLKHERJSUAJRZ-UHFFFAOYSA-N 2 1 271.389 3.336 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261549391 377816872 /nfs/dbraw/zinc/81/68/72/377816872.db2.gz OLSWHOQTMUEVAG-UHFFFAOYSA-N 2 1 284.403 3.093 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261569870 377819098 /nfs/dbraw/zinc/81/90/98/377819098.db2.gz NRLDGTMBZTZWRC-OFQRWUPVSA-N 2 1 278.827 3.208 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261563950 377819148 /nfs/dbraw/zinc/81/91/48/377819148.db2.gz HCWNCPDZXKZZJY-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261563950 377819152 /nfs/dbraw/zinc/81/91/52/377819152.db2.gz HCWNCPDZXKZZJY-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261697507 377838222 /nfs/dbraw/zinc/83/82/22/377838222.db2.gz CDCJSDRFKKHJKS-IAGOWNOFSA-N 2 1 258.409 3.132 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000261679353 377839247 /nfs/dbraw/zinc/83/92/47/377839247.db2.gz GPTXMXRTTAYFAG-ZWKOTPCHSA-N 2 1 266.388 3.024 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC12CCCCC2 ZINC000262039799 377881844 /nfs/dbraw/zinc/88/18/44/377881844.db2.gz PAPOYMNNBVYOCL-JKSUJKDBSA-N 2 1 264.457 3.278 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C12CCCCC2 ZINC000262033408 377882076 /nfs/dbraw/zinc/88/20/76/377882076.db2.gz OGZZFUWLTOEPDZ-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c2ccccc12 ZINC000262297477 377893298 /nfs/dbraw/zinc/89/32/98/377893298.db2.gz ODSHKCAMKSREOF-OAHLLOKOSA-N 2 1 298.430 3.409 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[N@@H+]1CCCC[C@H]1C ZINC000343274132 377943533 /nfs/dbraw/zinc/94/35/33/377943533.db2.gz BZHMYRVOUUIOFP-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[N@H+]1CCCC[C@H]1C ZINC000343274132 377943539 /nfs/dbraw/zinc/94/35/39/377943539.db2.gz BZHMYRVOUUIOFP-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)c1 ZINC000576027172 378008014 /nfs/dbraw/zinc/00/80/14/378008014.db2.gz PFRXDBJCXCGZJI-HNAYVOBHSA-N 2 1 298.430 3.052 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000578470641 378073198 /nfs/dbraw/zinc/07/31/98/378073198.db2.gz MYWHGJAERHWHSY-ZDUSSCGKSA-N 2 1 293.480 3.231 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000578470641 378073202 /nfs/dbraw/zinc/07/32/02/378073202.db2.gz MYWHGJAERHWHSY-ZDUSSCGKSA-N 2 1 293.480 3.231 20 0 CGADMP C[C@@H]([NH+](C)CCOCC[N@H+](C)[C@H](C)C1(C)CC1)C1(C)CC1 ZINC000343747464 378081474 /nfs/dbraw/zinc/08/14/74/378081474.db2.gz VJRUDJONFVWTIP-HZPDHXFCSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000578919074 378113683 /nfs/dbraw/zinc/11/36/83/378113683.db2.gz LRJWTFCNYMYWKK-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000578919074 378113689 /nfs/dbraw/zinc/11/36/89/378113689.db2.gz LRJWTFCNYMYWKK-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000578919074 378113695 /nfs/dbraw/zinc/11/36/95/378113695.db2.gz LRJWTFCNYMYWKK-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000268812092 378119157 /nfs/dbraw/zinc/11/91/57/378119157.db2.gz MOLNEGPKIFCFTR-NSHDSACASA-N 2 1 286.404 3.152 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268825174 378122276 /nfs/dbraw/zinc/12/22/76/378122276.db2.gz TYBQPRIMKKPBAM-MAUKXSAKSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000268825174 378122280 /nfs/dbraw/zinc/12/22/80/378122280.db2.gz TYBQPRIMKKPBAM-MAUKXSAKSA-N 2 1 272.436 3.429 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCOc2ccccc21 ZINC000268769008 378106501 /nfs/dbraw/zinc/10/65/01/378106501.db2.gz PBBPIDFMAUVOGB-MRXNPFEDSA-N 2 1 276.424 3.220 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000268769008 378106504 /nfs/dbraw/zinc/10/65/04/378106504.db2.gz PBBPIDFMAUVOGB-MRXNPFEDSA-N 2 1 276.424 3.220 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000268769008 378106507 /nfs/dbraw/zinc/10/65/07/378106507.db2.gz PBBPIDFMAUVOGB-MRXNPFEDSA-N 2 1 276.424 3.220 20 0 CGADMP CC[N@@H+](CCc1c(F)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345208210 378223689 /nfs/dbraw/zinc/22/36/89/378223689.db2.gz PMAUHECOPMYEJT-ZDUSSCGKSA-N 2 1 298.833 3.486 20 0 CGADMP CC[N@H+]1C[C@H](C)N(c2ccnc3cc(F)ccc32)C[C@@H]1C ZINC000345190224 378219085 /nfs/dbraw/zinc/21/90/85/378219085.db2.gz MNTOESAIVFVDRP-STQMWFEESA-N 2 1 287.382 3.293 20 0 CGADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1C ZINC000345190224 378219090 /nfs/dbraw/zinc/21/90/90/378219090.db2.gz MNTOESAIVFVDRP-STQMWFEESA-N 2 1 287.382 3.293 20 0 CGADMP C[C@@H](Nc1cc[nH+]cc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000579419188 378158786 /nfs/dbraw/zinc/15/87/86/378158786.db2.gz FCZJEIQFGXHMFY-WBMJQRKESA-N 2 1 289.810 3.260 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000580905122 378268306 /nfs/dbraw/zinc/26/83/06/378268306.db2.gz POORWZJPEYKEFY-QGZVFWFLSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3ncccc3c2)C1 ZINC000582054707 378281358 /nfs/dbraw/zinc/28/13/58/378281358.db2.gz AJTPTKGAUBKLOO-PKOBYXMFSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054707 378281359 /nfs/dbraw/zinc/28/13/59/378281359.db2.gz AJTPTKGAUBKLOO-PKOBYXMFSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054707 378281361 /nfs/dbraw/zinc/28/13/61/378281361.db2.gz AJTPTKGAUBKLOO-PKOBYXMFSA-N 2 1 295.430 3.151 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000580262146 378235894 /nfs/dbraw/zinc/23/58/94/378235894.db2.gz MFGUBCZUQVETDD-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000580262146 378235898 /nfs/dbraw/zinc/23/58/98/378235898.db2.gz MFGUBCZUQVETDD-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000582327896 378304663 /nfs/dbraw/zinc/30/46/63/378304663.db2.gz CDMVSAHLXKFIEB-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000582327896 378304667 /nfs/dbraw/zinc/30/46/67/378304667.db2.gz CDMVSAHLXKFIEB-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000582327896 378304672 /nfs/dbraw/zinc/30/46/72/378304672.db2.gz CDMVSAHLXKFIEB-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000582327896 378304677 /nfs/dbraw/zinc/30/46/77/378304677.db2.gz CDMVSAHLXKFIEB-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000583971401 378362389 /nfs/dbraw/zinc/36/23/89/378362389.db2.gz HUEMICOFJXPGQE-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000583971401 378362392 /nfs/dbraw/zinc/36/23/92/378362392.db2.gz HUEMICOFJXPGQE-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000270649819 378381149 /nfs/dbraw/zinc/38/11/49/378381149.db2.gz OLOVITVSUYREAL-UHFFFAOYSA-N 2 1 299.418 3.199 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000270649819 378381153 /nfs/dbraw/zinc/38/11/53/378381153.db2.gz OLOVITVSUYREAL-UHFFFAOYSA-N 2 1 299.418 3.199 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000271184748 378475234 /nfs/dbraw/zinc/47/52/34/378475234.db2.gz MCSQZOWVRYIUDV-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000271184748 378475239 /nfs/dbraw/zinc/47/52/39/378475239.db2.gz MCSQZOWVRYIUDV-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000271184748 378475245 /nfs/dbraw/zinc/47/52/45/378475245.db2.gz MCSQZOWVRYIUDV-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000271184748 378475247 /nfs/dbraw/zinc/47/52/47/378475247.db2.gz MCSQZOWVRYIUDV-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CCn2ccnc2)cc1 ZINC000346315605 378540591 /nfs/dbraw/zinc/54/05/91/378540591.db2.gz UEYXWMXISIWHDN-ROUUACIJSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)CC(C)C ZINC000346319352 378541887 /nfs/dbraw/zinc/54/18/87/378541887.db2.gz XIMGGRCMMCGNFO-UHFFFAOYSA-N 2 1 271.408 3.350 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)CC(C)C ZINC000346319352 378541892 /nfs/dbraw/zinc/54/18/92/378541892.db2.gz XIMGGRCMMCGNFO-UHFFFAOYSA-N 2 1 271.408 3.350 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000346471540 378589299 /nfs/dbraw/zinc/58/92/99/378589299.db2.gz YAEYEDCYBSUQSR-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000346471540 378589302 /nfs/dbraw/zinc/58/93/02/378589302.db2.gz YAEYEDCYBSUQSR-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP CCSCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272381742 378624893 /nfs/dbraw/zinc/62/48/93/378624893.db2.gz BWPDUEMDMBRZIO-NVXWUHKLSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@@H]([NH2+]C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272574683 378668772 /nfs/dbraw/zinc/66/87/72/378668772.db2.gz VNRBNCWWTPWJAD-NVXWUHKLSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000346693851 378678703 /nfs/dbraw/zinc/67/87/03/378678703.db2.gz QAVUAMKGWDWYRT-WDEREUQCSA-N 2 1 293.461 3.041 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638320304 378769446 /nfs/dbraw/zinc/76/94/46/378769446.db2.gz JAGODBQJMYUQFX-UHFFFAOYSA-N 2 1 285.435 3.141 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638365792 378779417 /nfs/dbraw/zinc/77/94/17/378779417.db2.gz HUORWFZMNZCAMH-WCXIOVBPSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000348176326 378824150 /nfs/dbraw/zinc/82/41/50/378824150.db2.gz UFNVDZWVWFRAHT-QGZVFWFLSA-N 2 1 289.467 3.177 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1cccs1 ZINC000348310832 378900998 /nfs/dbraw/zinc/90/09/98/378900998.db2.gz RONFJGURJBXEQS-UHFFFAOYSA-N 2 1 263.410 3.168 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000252788986 284725027 /nfs/dbraw/zinc/72/50/27/284725027.db2.gz UJDHJOHMKAGDPG-UAGQMJEPSA-N 2 1 260.425 3.110 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CC1CC[NH2+]CC1)CCC2 ZINC000347014402 218092363 /nfs/dbraw/zinc/09/23/63/218092363.db2.gz XGHGMIOAAOUYHK-CQSZACIVSA-N 2 1 293.480 3.014 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274943861 378920626 /nfs/dbraw/zinc/92/06/26/378920626.db2.gz UASOQSWFZDQTAK-RYUDHWBXSA-N 2 1 292.814 3.227 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347031224 218099322 /nfs/dbraw/zinc/09/93/22/218099322.db2.gz YOJUIEAGNCCFPC-KRWDZBQOSA-N 2 1 295.430 3.180 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000347055740 218106159 /nfs/dbraw/zinc/10/61/59/218106159.db2.gz UDESNAVJWGGFMD-CRAIPNDOSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1nc(F)ccc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000278558923 194042614 /nfs/dbraw/zinc/04/26/14/194042614.db2.gz VXVYXBXVAQRNIA-UHFFFAOYSA-N 2 1 281.419 3.128 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000347060951 218108664 /nfs/dbraw/zinc/10/86/64/218108664.db2.gz YGOPFXCQJNFDSO-TZMCWYRMSA-N 2 1 274.433 3.461 20 0 CGADMP CCS[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348483707 378965485 /nfs/dbraw/zinc/96/54/85/378965485.db2.gz ZOOBTXHERDWQJM-HUUCEWRRSA-N 2 1 281.469 3.236 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000276631145 378970145 /nfs/dbraw/zinc/97/01/45/378970145.db2.gz JJSNUFOHEYYVJR-QGZVFWFLSA-N 2 1 271.408 3.340 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)oc2cc1C ZINC000347091878 218118745 /nfs/dbraw/zinc/11/87/45/218118745.db2.gz GSLJLUMGUFIGFI-XJKSGUPXSA-N 2 1 272.392 3.219 20 0 CGADMP COc1cc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1C ZINC000639081900 379007015 /nfs/dbraw/zinc/00/70/15/379007015.db2.gz WCPCZGKDMPXYAF-CVEARBPZSA-N 2 1 290.451 3.257 20 0 CGADMP CCCC1CCC(C[N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000347217687 218157253 /nfs/dbraw/zinc/15/72/53/218157253.db2.gz RUZYMHAQOVKCCR-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495557 379024238 /nfs/dbraw/zinc/02/42/38/379024238.db2.gz YYDJKCLQJGFDJT-SJLPKXTDSA-N 2 1 288.435 3.014 20 0 CGADMP CCC[N@H+](Cc1cnc(CC(C)C)s1)C1CC[NH2+]CC1 ZINC000347192611 218152035 /nfs/dbraw/zinc/15/20/35/218152035.db2.gz GHSJLQVLWAKCBE-UHFFFAOYSA-N 2 1 295.496 3.306 20 0 CGADMP CCC[N@@H+](Cc1cnc(CC(C)C)s1)C1CC[NH2+]CC1 ZINC000347192611 218152037 /nfs/dbraw/zinc/15/20/37/218152037.db2.gz GHSJLQVLWAKCBE-UHFFFAOYSA-N 2 1 295.496 3.306 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495557 379024241 /nfs/dbraw/zinc/02/42/41/379024241.db2.gz YYDJKCLQJGFDJT-SJLPKXTDSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495557 379024245 /nfs/dbraw/zinc/02/42/45/379024245.db2.gz YYDJKCLQJGFDJT-SJLPKXTDSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000639117206 379040398 /nfs/dbraw/zinc/04/03/98/379040398.db2.gz DRHLAMGODHMWTO-CWRNSKLLSA-N 2 1 294.389 3.142 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277103524 379069786 /nfs/dbraw/zinc/06/97/86/379069786.db2.gz GRKJWNDNNVXEPM-HOTGVXAUSA-N 2 1 260.425 3.472 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)CC1 ZINC000277159495 379085570 /nfs/dbraw/zinc/08/55/70/379085570.db2.gz KBJFTRVSLKOCJI-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000372950116 379205981 /nfs/dbraw/zinc/20/59/81/379205981.db2.gz OECHOWWPZYABIS-MWDXBVQZSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000372950116 379205986 /nfs/dbraw/zinc/20/59/86/379205986.db2.gz OECHOWWPZYABIS-MWDXBVQZSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000372950116 379205990 /nfs/dbraw/zinc/20/59/90/379205990.db2.gz OECHOWWPZYABIS-MWDXBVQZSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000372950116 379205992 /nfs/dbraw/zinc/20/59/92/379205992.db2.gz OECHOWWPZYABIS-MWDXBVQZSA-N 2 1 262.441 3.005 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2c[nH]nc21 ZINC000349366144 379251318 /nfs/dbraw/zinc/25/13/18/379251318.db2.gz JBQWRKYPJZSZIM-UHFFFAOYSA-N 2 1 288.439 3.117 20 0 CGADMP C[N@H+](Cc1ccc2occc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000347576223 218278271 /nfs/dbraw/zinc/27/82/71/218278271.db2.gz AQIDCRCBDQZHDX-HNNXBMFYSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1ccc2occc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000347576223 218278273 /nfs/dbraw/zinc/27/82/73/218278273.db2.gz AQIDCRCBDQZHDX-HNNXBMFYSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1ccc2occc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000347576223 218278275 /nfs/dbraw/zinc/27/82/75/218278275.db2.gz AQIDCRCBDQZHDX-HNNXBMFYSA-N 2 1 272.392 3.206 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000639360359 379319163 /nfs/dbraw/zinc/31/91/63/379319163.db2.gz WADMSYDJNCGLRD-ATLSCFEFSA-N 2 1 272.436 3.000 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC000278952549 194228414 /nfs/dbraw/zinc/22/84/14/194228414.db2.gz LMIDLUSAQSXTNU-JSGCOSHPSA-N 2 1 289.448 3.475 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC000278983427 194239689 /nfs/dbraw/zinc/23/96/89/194239689.db2.gz PCMSNPXQFFUFEJ-KDOFPFPSSA-N 2 1 281.403 3.186 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000266826863 190283134 /nfs/dbraw/zinc/28/31/34/190283134.db2.gz DDKCAISRIALROO-NSHDSACASA-N 2 1 279.334 3.211 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000639754543 379570032 /nfs/dbraw/zinc/57/00/32/379570032.db2.gz BZZFJAVFCDTJJA-UHFFFAOYSA-N 2 1 278.827 3.258 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758247 379573064 /nfs/dbraw/zinc/57/30/64/379573064.db2.gz RRPIYEKOODRWCT-CYBMUJFWSA-N 2 1 294.389 3.444 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(C)c1 ZINC000377414387 379677390 /nfs/dbraw/zinc/67/73/90/379677390.db2.gz XOUVNBBFMVXPDL-MRXNPFEDSA-N 2 1 283.419 3.335 20 0 CGADMP CCOC1CC(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881029 379747809 /nfs/dbraw/zinc/74/78/09/379747809.db2.gz YBSNYZHIVGUERT-IKKRTKPYSA-N 2 1 294.483 3.139 20 0 CGADMP CCOC1CC(C[N@@H+]2CCC[C@@H](N3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881029 379747812 /nfs/dbraw/zinc/74/78/12/379747812.db2.gz YBSNYZHIVGUERT-IKKRTKPYSA-N 2 1 294.483 3.139 20 0 CGADMP CCOC1CC(C[N@H+]2CCC[C@@H](N3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881029 379747818 /nfs/dbraw/zinc/74/78/18/379747818.db2.gz YBSNYZHIVGUERT-IKKRTKPYSA-N 2 1 294.483 3.139 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](C)CC(C)C)cn1 ZINC000377627119 379708641 /nfs/dbraw/zinc/70/86/41/379708641.db2.gz PIQGFVTWIUURSA-CQSZACIVSA-N 2 1 286.423 3.348 20 0 CGADMP Cc1cccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000378287755 379799181 /nfs/dbraw/zinc/79/91/81/379799181.db2.gz BQCAOYIVUIVEAJ-UHFFFAOYSA-N 2 1 295.430 3.491 20 0 CGADMP COc1ccc([C@@H](C)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352535226 379846724 /nfs/dbraw/zinc/84/67/24/379846724.db2.gz OADVVVLZNWBCFG-GOEBONIOSA-N 2 1 276.424 3.002 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000352541386 379848755 /nfs/dbraw/zinc/84/87/55/379848755.db2.gz XGIKVPWSQPLJHI-SFHVURJKSA-N 2 1 272.436 3.187 20 0 CGADMP Cc1cccnc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533174 379819095 /nfs/dbraw/zinc/81/90/95/379819095.db2.gz NXQAYCGDCWDYIE-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000392864077 379913238 /nfs/dbraw/zinc/91/32/38/379913238.db2.gz GAZFPAQHUJZESF-HUUCEWRRSA-N 2 1 270.486 3.126 20 0 CGADMP CC(C)=CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398036166 379926663 /nfs/dbraw/zinc/92/66/63/379926663.db2.gz PWDKHAZDOHVKGU-AEFFLSMTSA-N 2 1 272.436 3.453 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000388997625 379891011 /nfs/dbraw/zinc/89/10/11/379891011.db2.gz DNTOSYBCJOYNSI-AWEZNQCLSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)oc1C ZINC000282350554 379902354 /nfs/dbraw/zinc/90/23/54/379902354.db2.gz VRTMZCQWWUMKIZ-QEJZJMRPSA-N 2 1 264.413 3.420 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCCC2(C)C)s1 ZINC000352763839 379945912 /nfs/dbraw/zinc/94/59/12/379945912.db2.gz HUPZJSFRBBCBGC-CYBMUJFWSA-N 2 1 281.469 3.263 20 0 CGADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000352821519 379981884 /nfs/dbraw/zinc/98/18/84/379981884.db2.gz PXJNHTJOGCHUOT-INIZCTEOSA-N 2 1 289.467 3.246 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000401718205 379959484 /nfs/dbraw/zinc/95/94/84/379959484.db2.gz CIDINSAVPGIZFW-HUUCEWRRSA-N 2 1 263.429 3.157 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1csc(Cl)c1 ZINC000401825461 379959545 /nfs/dbraw/zinc/95/95/45/379959545.db2.gz DAZRHYYTZLJUHG-VIFPVBQESA-N 2 1 269.801 3.028 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352839566 379995392 /nfs/dbraw/zinc/99/53/92/379995392.db2.gz NARKHFKOYXLZJT-UHFFFAOYSA-N 2 1 290.354 3.118 20 0 CGADMP CC1(C)SC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282851667 380002254 /nfs/dbraw/zinc/00/22/54/380002254.db2.gz PODKHKUMRZIKON-INIZCTEOSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000641717486 380059793 /nfs/dbraw/zinc/05/97/93/380059793.db2.gz BZNAUOWOGFMLIM-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641790252 380099420 /nfs/dbraw/zinc/09/94/20/380099420.db2.gz VWBPLZDOAUSZMS-QAPCUYQASA-N 2 1 272.436 3.459 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2[C@H](C)CCC2(C)C)cc1 ZINC000641801587 380111742 /nfs/dbraw/zinc/11/17/42/380111742.db2.gz SVMQPWXITZPLSX-HIFRSBDPSA-N 2 1 276.424 3.000 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)C[C@@H]1[NH3+] ZINC000641802958 380113637 /nfs/dbraw/zinc/11/36/37/380113637.db2.gz QCQJLDVMWGGMGM-UONOGXRCSA-N 2 1 289.810 3.104 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)CC(F)(F)F ZINC000414261846 380205009 /nfs/dbraw/zinc/20/50/09/380205009.db2.gz IXVYDCWBUWELKE-RWMBFGLXSA-N 2 1 280.378 3.285 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000353518070 380209956 /nfs/dbraw/zinc/20/99/56/380209956.db2.gz KPZVXVYNRDWCCL-NQYYFHDYSA-N 2 1 284.447 3.179 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353521993 380210262 /nfs/dbraw/zinc/21/02/62/380210262.db2.gz RHXIRGZMBXEDDG-GCSSGZNBSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000643075378 380210611 /nfs/dbraw/zinc/21/06/11/380210611.db2.gz XVLDDNGYZRWOPC-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000643075378 380210617 /nfs/dbraw/zinc/21/06/17/380210617.db2.gz XVLDDNGYZRWOPC-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c(C)c1 ZINC000643066679 380211286 /nfs/dbraw/zinc/21/12/86/380211286.db2.gz RQTBHBVKSQVFQM-ULQDDVLXSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c(C)c1 ZINC000643066679 380211290 /nfs/dbraw/zinc/21/12/90/380211290.db2.gz RQTBHBVKSQVFQM-ULQDDVLXSA-N 2 1 272.436 3.357 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)[C@H]2CCC[C@@H]21 ZINC000353635070 380217127 /nfs/dbraw/zinc/21/71/27/380217127.db2.gz YDRJNBMNTFPVAG-NMSBFTQNSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1occc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000414417910 380228414 /nfs/dbraw/zinc/22/84/14/380228414.db2.gz YCXWVWFNFFVVOC-DOTOQJQBSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000414417910 380228417 /nfs/dbraw/zinc/22/84/17/380228417.db2.gz YCXWVWFNFFVVOC-DOTOQJQBSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000414417910 380228420 /nfs/dbraw/zinc/22/84/20/380228420.db2.gz YCXWVWFNFFVVOC-DOTOQJQBSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414417910 380228423 /nfs/dbraw/zinc/22/84/23/380228423.db2.gz YCXWVWFNFFVVOC-DOTOQJQBSA-N 2 1 274.408 3.037 20 0 CGADMP C[C@@H]([NH2+]CC1(C2CCC2)CCC1)c1c[nH+]ccc1N ZINC000643493711 380319351 /nfs/dbraw/zinc/31/93/51/380319351.db2.gz BDVBGDILCUWPLP-GFCCVEGCSA-N 2 1 259.397 3.115 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)C[C@@H](c2ccccc2)C1 ZINC000643506902 380328683 /nfs/dbraw/zinc/32/86/83/380328683.db2.gz MBKQVHXFTMKNDK-ZVZYQTTQSA-N 2 1 272.436 3.300 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000354129021 380337583 /nfs/dbraw/zinc/33/75/83/380337583.db2.gz XLXSXSUVIUTHJW-CQSZACIVSA-N 2 1 295.361 3.463 20 0 CGADMP COc1ccc(C2CCC([NH2+]CC[NH2+]C3CC3)CC2)cc1 ZINC000643507877 380330011 /nfs/dbraw/zinc/33/00/11/380330011.db2.gz UPBDJGHTGIJCFI-UHFFFAOYSA-N 2 1 288.435 3.063 20 0 CGADMP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CC[NH2+]C3CC3)C2)c1 ZINC000643508239 380331884 /nfs/dbraw/zinc/33/18/84/380331884.db2.gz VYQLPDRKVFEGCY-CZUORRHYSA-N 2 1 278.827 3.318 20 0 CGADMP CC(C)[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000414671728 380364146 /nfs/dbraw/zinc/36/41/46/380364146.db2.gz OGQOFGOVSZMKMH-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2F)C[C@H]1C ZINC000354222456 380367773 /nfs/dbraw/zinc/36/77/73/380367773.db2.gz JLLQPUWYMMRQPS-HUUCEWRRSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2F)C[C@H]1C ZINC000354222456 380367778 /nfs/dbraw/zinc/36/77/78/380367778.db2.gz JLLQPUWYMMRQPS-HUUCEWRRSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2F)C[C@H]1C ZINC000354222456 380367783 /nfs/dbraw/zinc/36/77/83/380367783.db2.gz JLLQPUWYMMRQPS-HUUCEWRRSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000414692205 380376894 /nfs/dbraw/zinc/37/68/94/380376894.db2.gz KJBYCBFNRNBWEU-OLZOCXBDSA-N 2 1 278.827 3.086 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000414698727 380380431 /nfs/dbraw/zinc/38/04/31/380380431.db2.gz XUJXTHMLXRHZSG-UHFFFAOYSA-N 2 1 273.207 3.307 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000414698935 380380454 /nfs/dbraw/zinc/38/04/54/380380454.db2.gz DNUVZJMYNQCDRV-CQSZACIVSA-N 2 1 252.377 3.024 20 0 CGADMP CC[N@H+](Cc1cccc(Cl)c1F)[C@H]1CCC[NH2+]CC1 ZINC000414720018 380387852 /nfs/dbraw/zinc/38/78/52/380387852.db2.gz WZJNEZCRIPQWMG-ZDUSSCGKSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1F)[C@H]1CCC[NH2+]CC1 ZINC000414720018 380387855 /nfs/dbraw/zinc/38/78/55/380387855.db2.gz WZJNEZCRIPQWMG-ZDUSSCGKSA-N 2 1 284.806 3.443 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414756539 380392984 /nfs/dbraw/zinc/39/29/84/380392984.db2.gz JZADZIPLYNRCHA-YESZJQIVSA-N 2 1 274.452 3.246 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)ccc1F ZINC000643522231 380338263 /nfs/dbraw/zinc/33/82/63/380338263.db2.gz KEZYKQZZDDZHJO-BBRMVZONSA-N 2 1 282.378 3.394 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCCN3)c2ccccc21 ZINC000643532177 380346903 /nfs/dbraw/zinc/34/69/03/380346903.db2.gz AKBQIKWYIOLUOE-IEBWSBKVSA-N 2 1 293.414 3.279 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000354165127 380351068 /nfs/dbraw/zinc/35/10/68/380351068.db2.gz FAZLAOWSJJCMLM-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000354165127 380351072 /nfs/dbraw/zinc/35/10/72/380351072.db2.gz FAZLAOWSJJCMLM-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000354165127 380351073 /nfs/dbraw/zinc/35/10/73/380351073.db2.gz FAZLAOWSJJCMLM-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1C(F)(F)F ZINC000414664345 380358583 /nfs/dbraw/zinc/35/85/83/380358583.db2.gz SKFHUJOKYCWTJA-YPMHNXCESA-N 2 1 286.341 3.183 20 0 CGADMP CC[NH2+]CC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414820827 380432557 /nfs/dbraw/zinc/43/25/57/380432557.db2.gz BIGWYRFAJBUKSP-NSHDSACASA-N 2 1 274.330 3.008 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc2cccnc21)C1CCCCC1 ZINC000414829985 380438016 /nfs/dbraw/zinc/43/80/16/380438016.db2.gz AGMOWTFHCLAISW-QGZVFWFLSA-N 2 1 283.419 3.232 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774641 380399107 /nfs/dbraw/zinc/39/91/07/380399107.db2.gz FOALQLOLNXWIKD-HUUCEWRRSA-N 2 1 278.827 3.162 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000414803877 380415744 /nfs/dbraw/zinc/41/57/44/380415744.db2.gz WZBDULTXTNIGOL-IBGZPJMESA-N 2 1 298.430 3.339 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414804277 380416907 /nfs/dbraw/zinc/41/69/07/380416907.db2.gz XDJHGNBFYWBQEV-KRWDZBQOSA-N 2 1 276.424 3.081 20 0 CGADMP CC[C@@H](C[NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000414873191 380468108 /nfs/dbraw/zinc/46/81/08/380468108.db2.gz GUBKRXWCVXHXDG-SFHVURJKSA-N 2 1 297.446 3.345 20 0 CGADMP CCC[NH2+]CC[NH2+]CCCc1c(F)cccc1Cl ZINC000414877596 380472304 /nfs/dbraw/zinc/47/23/04/380472304.db2.gz XZZIFCHXPARHIF-UHFFFAOYSA-N 2 1 272.795 3.001 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880642 380472523 /nfs/dbraw/zinc/47/25/23/380472523.db2.gz QUQYTLUQHGWLJD-KRWDZBQOSA-N 2 1 297.446 3.091 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000414895765 380478179 /nfs/dbraw/zinc/47/81/79/380478179.db2.gz ZJWWMSPBJYCGCV-LEUOFYLZSA-N 2 1 272.436 3.300 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000355521257 380697633 /nfs/dbraw/zinc/69/76/33/380697633.db2.gz YCMLMHFTZNQVGV-AWEZNQCLSA-N 2 1 298.434 3.444 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000355746963 380767159 /nfs/dbraw/zinc/76/71/59/380767159.db2.gz OTTSQUURWDBHKI-LLVKDONJSA-N 2 1 287.338 3.428 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419337974 380807550 /nfs/dbraw/zinc/80/75/50/380807550.db2.gz RPMWDXONYHEOJT-HUUCEWRRSA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419337974 380807554 /nfs/dbraw/zinc/80/75/54/380807554.db2.gz RPMWDXONYHEOJT-HUUCEWRRSA-N 2 1 263.429 3.338 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420311689 380848511 /nfs/dbraw/zinc/84/85/11/380848511.db2.gz RFFKYGGAJDPCGS-CVEARBPZSA-N 2 1 276.811 3.013 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420311689 380848512 /nfs/dbraw/zinc/84/85/12/380848512.db2.gz RFFKYGGAJDPCGS-CVEARBPZSA-N 2 1 276.811 3.013 20 0 CGADMP c1ccc(C[C@@H]2CCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420309081 380849072 /nfs/dbraw/zinc/84/90/72/380849072.db2.gz SXVIXZQOOMVSDL-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000360014806 381410542 /nfs/dbraw/zinc/41/05/42/381410542.db2.gz JXIQWSSBIDZXBA-ZBFHGGJFSA-N 2 1 299.418 3.338 20 0 CGADMP CCC(CC)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000360240046 381494200 /nfs/dbraw/zinc/49/42/00/381494200.db2.gz SIMGCILJTLVANU-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1ccncc1CCC[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000289177532 197254691 /nfs/dbraw/zinc/25/46/91/197254691.db2.gz FSKOSLXWLYHGBD-UHFFFAOYSA-N 2 1 289.467 3.177 20 0 CGADMP Cc1sc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361346503 381709224 /nfs/dbraw/zinc/70/92/24/381709224.db2.gz OXULIUCVDGWIDJ-WCQYABFASA-N 2 1 281.469 3.005 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364611093 382273342 /nfs/dbraw/zinc/27/33/42/382273342.db2.gz YNGYYODRHAJAGA-QLFBSQMISA-N 2 1 275.440 3.250 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558035 382313490 /nfs/dbraw/zinc/31/34/90/382313490.db2.gz PMWWDRHATABNKF-YESZJQIVSA-N 2 1 262.441 3.006 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000251559018 542346695 /nfs/dbraw/zinc/34/66/95/542346695.db2.gz BKPGBRGEWIIVJK-JMSVASOKSA-N 2 1 298.377 3.408 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2cc(C)ccc2C)CC[C@H]1[NH3+] ZINC000251633779 542347560 /nfs/dbraw/zinc/34/75/60/542347560.db2.gz FPAQSIBMEJTSQJ-DLBZAZTESA-N 2 1 290.451 3.132 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000251143924 542345703 /nfs/dbraw/zinc/34/57/03/542345703.db2.gz FKGSVSIZCOIJBZ-DOTOQJQBSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000251143924 542345707 /nfs/dbraw/zinc/34/57/07/542345707.db2.gz FKGSVSIZCOIJBZ-DOTOQJQBSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251208162 542345895 /nfs/dbraw/zinc/34/58/95/542345895.db2.gz YIGILWALFJXUSB-SJORKVTESA-N 2 1 258.409 3.102 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251208162 542345900 /nfs/dbraw/zinc/34/59/00/542345900.db2.gz YIGILWALFJXUSB-SJORKVTESA-N 2 1 258.409 3.102 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417972 542349621 /nfs/dbraw/zinc/34/96/21/542349621.db2.gz TYQQYKCGJCYVPT-ZWKOTPCHSA-N 2 1 272.436 3.267 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252722588 542350899 /nfs/dbraw/zinc/35/08/99/542350899.db2.gz QZMCTNBWGRFUAL-GUYCJALGSA-N 2 1 292.854 3.127 20 0 CGADMP COc1ccccc1[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000423319682 532981538 /nfs/dbraw/zinc/98/15/38/532981538.db2.gz LWQLUBZPXKBHSL-WMZOPIPTSA-N 2 1 288.435 3.253 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423261638 533001806 /nfs/dbraw/zinc/00/18/06/533001806.db2.gz KJWJVHIHPUUZSQ-TZMCWYRMSA-N 2 1 266.454 3.433 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sccc2C)C[C@@H]1C ZINC000353751944 220307362 /nfs/dbraw/zinc/30/73/62/220307362.db2.gz ZRBCHOVEZXUOKF-UONOGXRCSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sccc2C)C[C@@H]1C ZINC000353751944 220307363 /nfs/dbraw/zinc/30/73/63/220307363.db2.gz ZRBCHOVEZXUOKF-UONOGXRCSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sccc2C)C[C@@H]1C ZINC000353751944 220307366 /nfs/dbraw/zinc/30/73/66/220307366.db2.gz ZRBCHOVEZXUOKF-UONOGXRCSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765993 220314246 /nfs/dbraw/zinc/31/42/46/220314246.db2.gz FVRBILNOYBJMCW-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765993 220314249 /nfs/dbraw/zinc/31/42/49/220314249.db2.gz FVRBILNOYBJMCW-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765993 220314250 /nfs/dbraw/zinc/31/42/50/220314250.db2.gz FVRBILNOYBJMCW-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765993 220314255 /nfs/dbraw/zinc/31/42/55/220314255.db2.gz FVRBILNOYBJMCW-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000502415240 285149427 /nfs/dbraw/zinc/14/94/27/285149427.db2.gz LWFKMVDBXSJIQF-OKZBNKHCSA-N 2 1 296.499 3.149 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423438630 533179151 /nfs/dbraw/zinc/17/91/51/533179151.db2.gz HCVJYRLVGROYJY-VBQJREDUSA-N 2 1 278.440 3.498 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(C)cc2Cl)CC[C@H]1[NH3+] ZINC000300247864 542411887 /nfs/dbraw/zinc/41/18/87/542411887.db2.gz GFJSIBZNCSXNST-SWLSCSKDSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C)cc2Cl)CC[C@H]1[NH3+] ZINC000300247864 542411890 /nfs/dbraw/zinc/41/18/90/542411890.db2.gz GFJSIBZNCSXNST-SWLSCSKDSA-N 2 1 266.816 3.208 20 0 CGADMP FC(F)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000335011185 542463481 /nfs/dbraw/zinc/46/34/81/542463481.db2.gz UOAJJFRHXSFGSP-INIZCTEOSA-N 2 1 280.362 3.200 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000335011185 542463485 /nfs/dbraw/zinc/46/34/85/542463485.db2.gz UOAJJFRHXSFGSP-INIZCTEOSA-N 2 1 280.362 3.200 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353464361 542557114 /nfs/dbraw/zinc/55/71/14/542557114.db2.gz UKRFMKYMMIBFNQ-AWEZNQCLSA-N 2 1 286.423 3.102 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281577405 195294692 /nfs/dbraw/zinc/29/46/92/195294692.db2.gz KUEZFMMXOMWRPJ-GVDBMIGSSA-N 2 1 291.414 3.134 20 0 CGADMP COc1c(C)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000368782162 533398735 /nfs/dbraw/zinc/39/87/35/533398735.db2.gz RPTJSQZMNSRRLU-DLBZAZTESA-N 2 1 288.435 3.028 20 0 CGADMP CSCC1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000423496908 533527012 /nfs/dbraw/zinc/52/70/12/533527012.db2.gz FUHZPCDTBDBIIW-PESDSKBTSA-N 2 1 270.486 3.015 20 0 CGADMP CCC(CC)(CC)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000391120384 542612125 /nfs/dbraw/zinc/61/21/25/542612125.db2.gz AVOLIBDHUJFYPJ-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(-c3ccccc3)c2)CCC1 ZINC000414876267 542639202 /nfs/dbraw/zinc/63/92/02/542639202.db2.gz DAWCAAIOLHNHIX-UHFFFAOYSA-N 2 1 266.388 3.325 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)s1 ZINC000049687020 392056362 /nfs/dbraw/zinc/05/63/62/392056362.db2.gz ULSKCMGXVARXDD-AWEZNQCLSA-N 2 1 266.454 3.185 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCC(C)(C)CC1 ZINC000094859506 392242748 /nfs/dbraw/zinc/24/27/48/392242748.db2.gz VYWJEQNCCAPBLF-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c2c1 ZINC000096474215 392256785 /nfs/dbraw/zinc/25/67/85/392256785.db2.gz HUPDLWDNPKVMDY-ZIAGYGMSSA-N 2 1 267.376 3.274 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000453289732 542680541 /nfs/dbraw/zinc/68/05/41/542680541.db2.gz MNEVPNVLTTVCHE-OALUTQOASA-N 2 1 295.430 3.315 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000453289732 542680547 /nfs/dbraw/zinc/68/05/47/542680547.db2.gz MNEVPNVLTTVCHE-OALUTQOASA-N 2 1 295.430 3.315 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000289150818 392414676 /nfs/dbraw/zinc/41/46/76/392414676.db2.gz GHEBPRFUTOBOMA-GLJUWKHASA-N 2 1 270.420 3.309 20 0 CGADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129105449 392452060 /nfs/dbraw/zinc/45/20/60/392452060.db2.gz JIMJLIPHKYEQKL-INMHGKMJSA-N 2 1 274.383 3.029 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000153800469 392529827 /nfs/dbraw/zinc/52/98/27/392529827.db2.gz PCYMSDVBVHJLJU-HNNXBMFYSA-N 2 1 296.430 3.061 20 0 CGADMP CC(C)(C)SCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367252090 392473116 /nfs/dbraw/zinc/47/31/16/392473116.db2.gz KZOBWYSEYDPSNW-GDBMZVCRSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367252090 392473122 /nfs/dbraw/zinc/47/31/22/392473122.db2.gz KZOBWYSEYDPSNW-GDBMZVCRSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367252090 392473125 /nfs/dbraw/zinc/47/31/25/392473125.db2.gz KZOBWYSEYDPSNW-GDBMZVCRSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367252090 392473129 /nfs/dbraw/zinc/47/31/29/392473129.db2.gz KZOBWYSEYDPSNW-GDBMZVCRSA-N 2 1 296.524 3.467 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150813064 392481389 /nfs/dbraw/zinc/48/13/89/392481389.db2.gz MFQVGTCRQQTLNA-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC000161794715 392586327 /nfs/dbraw/zinc/58/63/27/392586327.db2.gz QJIVBYJBORZJFW-MRXNPFEDSA-N 2 1 292.471 3.237 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344614 392694422 /nfs/dbraw/zinc/69/44/22/392694422.db2.gz VJBHSUIEAIAJFS-XOYOTBSWSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647283683 392635698 /nfs/dbraw/zinc/63/56/98/392635698.db2.gz JQHJQHSEYFQKTH-KRWDZBQOSA-N 2 1 286.423 3.354 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000647284568 392637316 /nfs/dbraw/zinc/63/73/16/392637316.db2.gz WIYSPEMVNRDQCE-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[C@H]1C ZINC000647343751 392692013 /nfs/dbraw/zinc/69/20/13/392692013.db2.gz BQGTXIQUDZIELD-DBDQLMEASA-N 2 1 286.463 3.356 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000647343757 392692171 /nfs/dbraw/zinc/69/21/71/392692171.db2.gz BSFQTCYYGMRUIN-IPELMVKDSA-N 2 1 295.430 3.078 20 0 CGADMP CCSc1cccc(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000647530776 392752335 /nfs/dbraw/zinc/75/23/35/392752335.db2.gz FDJKMDWRGIRYRF-UHFFFAOYSA-N 2 1 264.438 3.112 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000375244474 392752885 /nfs/dbraw/zinc/75/28/85/392752885.db2.gz GPHQLMVHDXEJDN-ROUUACIJSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000509638425 392763183 /nfs/dbraw/zinc/76/31/83/392763183.db2.gz XCZCIARLXGAFDJ-HNNXBMFYSA-N 2 1 290.451 3.177 20 0 CGADMP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000647369064 392709950 /nfs/dbraw/zinc/70/99/50/392709950.db2.gz FIIBXEYDPWPUIE-HOTGVXAUSA-N 2 1 264.457 3.134 20 0 CGADMP Cc1cccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000180971819 392716126 /nfs/dbraw/zinc/71/61/26/392716126.db2.gz MQGSRHXWSGKRMU-UHFFFAOYSA-N 2 1 286.463 3.488 20 0 CGADMP FC(F)(F)c1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647874828 392821342 /nfs/dbraw/zinc/82/13/42/392821342.db2.gz BSSRZNWMNJGCHS-CYBMUJFWSA-N 2 1 298.352 3.279 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1C ZINC000647888029 392827100 /nfs/dbraw/zinc/82/71/00/392827100.db2.gz CYWPRYJNWVWCAO-DOTOQJQBSA-N 2 1 258.409 3.050 20 0 CGADMP CCCO[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000647884608 392827263 /nfs/dbraw/zinc/82/72/63/392827263.db2.gz NIYDYRLUGFXQSG-QGZVFWFLSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904156 392829293 /nfs/dbraw/zinc/82/92/93/392829293.db2.gz XWCLZEKQIWGDLH-OALUTQOASA-N 2 1 286.463 3.392 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375843996 392831240 /nfs/dbraw/zinc/83/12/40/392831240.db2.gz ZDSLPENCAGPQDF-BRWVUGGUSA-N 2 1 290.476 3.371 20 0 CGADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647995369 392860173 /nfs/dbraw/zinc/86/01/73/392860173.db2.gz RQHZLKWRTBWZAB-OWCLPIDISA-N 2 1 264.457 3.134 20 0 CGADMP c1ccc(C[N@H+](CCCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000383558874 392921973 /nfs/dbraw/zinc/92/19/73/392921973.db2.gz JLUBAPGXERTJCK-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340471428 392973447 /nfs/dbraw/zinc/97/34/47/392973447.db2.gz WONXSWICQPDXIV-IMJJTQAJSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340471428 392973452 /nfs/dbraw/zinc/97/34/52/392973452.db2.gz WONXSWICQPDXIV-IMJJTQAJSA-N 2 1 264.388 3.160 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccn2)C[C@H]1c1ccccc1 ZINC000340169123 392965529 /nfs/dbraw/zinc/96/55/29/392965529.db2.gz ZFANQXIHDLGADN-MOPGFXCFSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccn2)C[C@H]1c1ccccc1 ZINC000340169123 392965535 /nfs/dbraw/zinc/96/55/35/392965535.db2.gz ZFANQXIHDLGADN-MOPGFXCFSA-N 2 1 295.430 3.049 20 0 CGADMP CCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340190480 392966587 /nfs/dbraw/zinc/96/65/87/392966587.db2.gz HBHUAAKOFZYIRY-MSOLQXFVSA-N 2 1 290.451 3.228 20 0 CGADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340190480 392966588 /nfs/dbraw/zinc/96/65/88/392966588.db2.gz HBHUAAKOFZYIRY-MSOLQXFVSA-N 2 1 290.451 3.228 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1(C)C ZINC000462816019 392968898 /nfs/dbraw/zinc/96/88/98/392968898.db2.gz ZPGIFAFRKOULAX-HUUCEWRRSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCF)C[C@H]1c1ccccc1 ZINC000340389426 392971597 /nfs/dbraw/zinc/97/15/97/392971597.db2.gz NFJLQPSESMHOOX-CVEARBPZSA-N 2 1 264.388 3.161 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCF)C[C@H]1c1ccccc1 ZINC000340389426 392971605 /nfs/dbraw/zinc/97/16/05/392971605.db2.gz NFJLQPSESMHOOX-CVEARBPZSA-N 2 1 264.388 3.161 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000211369702 392985281 /nfs/dbraw/zinc/98/52/81/392985281.db2.gz KYYIIOLJNQRBGN-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP C[C@H](CCN1CCCC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000221204770 393008608 /nfs/dbraw/zinc/00/86/08/393008608.db2.gz AYJVUERQBWXVRC-HLLBOEOZSA-N 2 1 260.425 3.382 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000247943541 393082789 /nfs/dbraw/zinc/08/27/89/393082789.db2.gz DGQHNIJNJANJDM-SZXPJGKVSA-N 2 1 272.436 3.035 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000346524498 393089446 /nfs/dbraw/zinc/08/94/46/393089446.db2.gz GHNVIENTBPQOQJ-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346662177 393092598 /nfs/dbraw/zinc/09/25/98/393092598.db2.gz WIBWFNWLCHTQJF-CHWSQXEVSA-N 2 1 266.816 3.126 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000648566529 393105848 /nfs/dbraw/zinc/10/58/48/393105848.db2.gz WSCYUIFWQXKWQH-BPQIPLTHSA-N 2 1 294.483 3.331 20 0 CGADMP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781470 393054612 /nfs/dbraw/zinc/05/46/12/393054612.db2.gz MYIVQVMXVNQPPG-QWHCGFSZSA-N 2 1 296.817 3.301 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC000414743835 393055026 /nfs/dbraw/zinc/05/50/26/393055026.db2.gz PFPABLDNAZMDJO-LSDHHAIUSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)C[C@@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000414779781 393055459 /nfs/dbraw/zinc/05/54/59/393055459.db2.gz ARFLCRVXLIROIT-SQNIBIBYSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)C[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000414779781 393055467 /nfs/dbraw/zinc/05/54/67/393055467.db2.gz ARFLCRVXLIROIT-SQNIBIBYSA-N 2 1 272.436 3.110 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414854778 393056570 /nfs/dbraw/zinc/05/65/70/393056570.db2.gz VLXNEMAEWQVRGV-IAGOWNOFSA-N 2 1 262.441 3.279 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[NH2+]1 ZINC000414949114 393058789 /nfs/dbraw/zinc/05/87/89/393058789.db2.gz NAGJZLAUSLQCAR-OCCSQVGLSA-N 2 1 287.432 3.040 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414955345 393062508 /nfs/dbraw/zinc/06/25/08/393062508.db2.gz UCHUROFIMPGVHU-NOZJJQNGSA-N 2 1 290.304 3.075 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414954435 393063588 /nfs/dbraw/zinc/06/35/88/393063588.db2.gz MWPUTMABIJNEEB-PQEBFOHHSA-N 2 1 258.409 3.053 20 0 CGADMP CCn1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000246867749 393066523 /nfs/dbraw/zinc/06/65/23/393066523.db2.gz DGSBVPUSRSTWEF-HZPDHXFCSA-N 2 1 292.471 3.066 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CCCC1 ZINC000247093567 393071137 /nfs/dbraw/zinc/07/11/37/393071137.db2.gz OFLMHVSJKGFYTG-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000415045285 393111208 /nfs/dbraw/zinc/11/12/08/393111208.db2.gz BJEONWBYXGJPHK-GFCCVEGCSA-N 2 1 290.329 3.048 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415049869 393112278 /nfs/dbraw/zinc/11/22/78/393112278.db2.gz BQDAKTVXIWHUPT-ZDUSSCGKSA-N 2 1 288.357 3.477 20 0 CGADMP CC(C)[C@@H](C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000415051116 393115339 /nfs/dbraw/zinc/11/53/39/393115339.db2.gz GNXUGJCCBXCFNC-KBAYOESNSA-N 2 1 274.452 3.343 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000415051385 393115477 /nfs/dbraw/zinc/11/54/77/393115477.db2.gz JNRQYKRFCWVMCF-LBPRGKRZSA-N 2 1 274.330 3.168 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415056979 393116619 /nfs/dbraw/zinc/11/66/19/393116619.db2.gz STSQAQRXUUYWME-QRQLOZEOSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000348249337 393118628 /nfs/dbraw/zinc/11/86/28/393118628.db2.gz WPPKFIHLIQUWHF-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000348249337 393118634 /nfs/dbraw/zinc/11/86/34/393118634.db2.gz WPPKFIHLIQUWHF-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000251928369 393121367 /nfs/dbraw/zinc/12/13/67/393121367.db2.gz VCMXJCAGLZRBGH-UMVBOHGHSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063041 393122062 /nfs/dbraw/zinc/12/20/62/393122062.db2.gz GQZGUSIUZRWMNP-QAPCUYQASA-N 2 1 274.452 3.362 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1cccc(Cl)c1 ZINC000415062921 393122415 /nfs/dbraw/zinc/12/24/15/393122415.db2.gz ZSDFCPRJLKTMIG-WOSRLPQWSA-N 2 1 280.843 3.360 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063943 393123221 /nfs/dbraw/zinc/12/32/21/393123221.db2.gz JHJWGYODHINQOM-DYVFJYSZSA-N 2 1 278.415 3.254 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1coc2ccccc12)C1CCCC1 ZINC000415064266 393123769 /nfs/dbraw/zinc/12/37/69/393123769.db2.gz KLSKOTPKODXDCD-HNNXBMFYSA-N 2 1 258.365 3.040 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415088384 393140481 /nfs/dbraw/zinc/14/04/81/393140481.db2.gz LXHGRNBMTQLVTR-SMDDNHRTSA-N 2 1 286.341 3.151 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415102650 393144961 /nfs/dbraw/zinc/14/49/61/393144961.db2.gz BHYSEBXJIWCFLS-XEZPLFJOSA-N 2 1 279.403 3.182 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000468552635 393151375 /nfs/dbraw/zinc/15/13/75/393151375.db2.gz HRPIUMQCCJYQGY-LZLYRXPVSA-N 2 1 274.452 3.388 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000468552635 393151385 /nfs/dbraw/zinc/15/13/85/393151385.db2.gz HRPIUMQCCJYQGY-LZLYRXPVSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468555683 393153337 /nfs/dbraw/zinc/15/33/37/393153337.db2.gz SPDCOXDLAIHHMP-FMKPAKJESA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468555683 393153348 /nfs/dbraw/zinc/15/33/48/393153348.db2.gz SPDCOXDLAIHHMP-FMKPAKJESA-N 2 1 278.415 3.219 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415134192 393156542 /nfs/dbraw/zinc/15/65/42/393156542.db2.gz VTMJDDVKIQKINU-NVXWUHKLSA-N 2 1 290.451 3.138 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648639363 393158298 /nfs/dbraw/zinc/15/82/98/393158298.db2.gz KWCSWDFFOBKKKH-YVSFHVDLSA-N 2 1 282.472 3.043 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000547862908 393158909 /nfs/dbraw/zinc/15/89/09/393158909.db2.gz QHCQNPJZPCHNDT-SJORKVTESA-N 2 1 283.419 3.135 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269041946 393218853 /nfs/dbraw/zinc/21/88/53/393218853.db2.gz VNUGQLCSODYYCD-RDJZCZTQSA-N 2 1 292.492 3.240 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000271197485 393246943 /nfs/dbraw/zinc/24/69/43/393246943.db2.gz URCGPRZOVQDBQC-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000271197485 393246953 /nfs/dbraw/zinc/24/69/53/393246953.db2.gz URCGPRZOVQDBQC-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000469798610 393216787 /nfs/dbraw/zinc/21/67/87/393216787.db2.gz GTPPPJTYQOIEOI-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000469798610 393216796 /nfs/dbraw/zinc/21/67/96/393216796.db2.gz GTPPPJTYQOIEOI-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP CC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000588476241 542769911 /nfs/dbraw/zinc/76/99/11/542769911.db2.gz IPANNRDBMFBGAW-NSWPXQNRSA-N 2 1 262.441 3.291 20 0 CGADMP CC/C=C\CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000588476241 542769915 /nfs/dbraw/zinc/76/99/15/542769915.db2.gz IPANNRDBMFBGAW-NSWPXQNRSA-N 2 1 262.441 3.291 20 0 CGADMP CC/C=C\CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000588476241 542769921 /nfs/dbraw/zinc/76/99/21/542769921.db2.gz IPANNRDBMFBGAW-NSWPXQNRSA-N 2 1 262.441 3.291 20 0 CGADMP CSC1(C[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CCC1 ZINC000356173783 393367498 /nfs/dbraw/zinc/36/74/98/393367498.db2.gz GNLNUJVSZLDTPI-HNNXBMFYSA-N 2 1 284.513 3.372 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)CC1(SC)CCC1 ZINC000356325936 393421518 /nfs/dbraw/zinc/42/15/18/393421518.db2.gz WTLVBOCVKDITCS-UHFFFAOYSA-N 2 1 272.502 3.326 20 0 CGADMP c1ccc(SCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420388002 393480262 /nfs/dbraw/zinc/48/02/62/393480262.db2.gz GVDHSOIIQQOYSD-RDJZCZTQSA-N 2 1 290.476 3.243 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000488296556 393481391 /nfs/dbraw/zinc/48/13/91/393481391.db2.gz JTNWNXQYMKPDAC-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000488296556 393481394 /nfs/dbraw/zinc/48/13/94/393481394.db2.gz JTNWNXQYMKPDAC-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000488296556 393481397 /nfs/dbraw/zinc/48/13/97/393481397.db2.gz JTNWNXQYMKPDAC-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP COc1cccc2c(N[C@H](C)CCC[NH3+])cc(C)[nH+]c12 ZINC000420260538 393444861 /nfs/dbraw/zinc/44/48/61/393444861.db2.gz IXZZNEQVEFQVCE-LLVKDONJSA-N 2 1 273.380 3.091 20 0 CGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000420295483 393451360 /nfs/dbraw/zinc/45/13/60/393451360.db2.gz APRDRUJRPDQIMY-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP CC1CCC([N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)CC1 ZINC000420294526 393451493 /nfs/dbraw/zinc/45/14/93/393451493.db2.gz AZDQXGYFGQDVBZ-JYSRZZCRSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[C@H]1CCCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301012 393455408 /nfs/dbraw/zinc/45/54/08/393455408.db2.gz KWVMWFZPZHLCCD-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420308476 393459269 /nfs/dbraw/zinc/45/92/69/393459269.db2.gz SHFFZTOXFLXYIA-SOLBZPMBSA-N 2 1 272.436 3.254 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420314580 393461850 /nfs/dbraw/zinc/46/18/50/393461850.db2.gz ZBAWBJHKFDATHE-ZFWWWQNUSA-N 2 1 278.827 3.129 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C2CCC(C)CC2)cc1 ZINC000420317087 393463374 /nfs/dbraw/zinc/46/33/74/393463374.db2.gz NAZYBMUZBWRYKH-WIHSUSGWSA-N 2 1 290.451 3.248 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)cc1 ZINC000420321139 393465975 /nfs/dbraw/zinc/46/59/75/393465975.db2.gz QUFRIKLBPFZIBS-USXIJHARSA-N 2 1 290.451 3.248 20 0 CGADMP Fc1ccccc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420325651 393467837 /nfs/dbraw/zinc/46/78/37/393467837.db2.gz WKSUGBKQKNSOHL-CQSZACIVSA-N 2 1 276.399 3.180 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420331489 393469680 /nfs/dbraw/zinc/46/96/80/393469680.db2.gz CBDQVMHTKKDCNZ-MJGOQNOKSA-N 2 1 280.415 3.066 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420331489 393469688 /nfs/dbraw/zinc/46/96/88/393469688.db2.gz CBDQVMHTKKDCNZ-MJGOQNOKSA-N 2 1 280.415 3.066 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420335036 393470612 /nfs/dbraw/zinc/47/06/12/393470612.db2.gz USYUPXQXHUSINK-DLBZAZTESA-N 2 1 290.426 3.080 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420364397 393474770 /nfs/dbraw/zinc/47/47/70/393474770.db2.gz QSBYQSQCCXDDFO-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC000649379836 393408894 /nfs/dbraw/zinc/40/88/94/393408894.db2.gz OMFVAZICPOATRD-MRXNPFEDSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000649379836 393408899 /nfs/dbraw/zinc/40/88/99/393408899.db2.gz OMFVAZICPOATRD-MRXNPFEDSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CS1 ZINC000488369685 393498006 /nfs/dbraw/zinc/49/80/06/393498006.db2.gz PNBZPAPBTMHGBA-CABCVRRESA-N 2 1 284.513 3.371 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488427137 393508504 /nfs/dbraw/zinc/50/85/04/393508504.db2.gz FNVNPPBNLAIYNL-INMHGKMJSA-N 2 1 272.436 3.458 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430124715 393526666 /nfs/dbraw/zinc/52/66/66/393526666.db2.gz LLAMPSVIOGSNEC-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430124715 393526669 /nfs/dbraw/zinc/52/66/69/393526669.db2.gz LLAMPSVIOGSNEC-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430124715 393526671 /nfs/dbraw/zinc/52/66/71/393526671.db2.gz LLAMPSVIOGSNEC-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP Cc1cc2[nH]c(CN3CC[C@@]4(CC[N@H+](C)C4)C3)cc2c(C)c1 ZINC000430130925 393527670 /nfs/dbraw/zinc/52/76/70/393527670.db2.gz KYZCUERWSWQULK-LJQANCHMSA-N 2 1 297.446 3.312 20 0 CGADMP Cc1cc2[nH]c(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2c(C)c1 ZINC000430130925 393527674 /nfs/dbraw/zinc/52/76/74/393527674.db2.gz KYZCUERWSWQULK-LJQANCHMSA-N 2 1 297.446 3.312 20 0 CGADMP Cc1cc2[nH]c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc2c(C)c1 ZINC000430130925 393527679 /nfs/dbraw/zinc/52/76/79/393527679.db2.gz KYZCUERWSWQULK-LJQANCHMSA-N 2 1 297.446 3.312 20 0 CGADMP Cc1cc2[nH]c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c(C)c1 ZINC000430130925 393527683 /nfs/dbraw/zinc/52/76/83/393527683.db2.gz KYZCUERWSWQULK-LJQANCHMSA-N 2 1 297.446 3.312 20 0 CGADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c(C)c1 ZINC000430130925 393527689 /nfs/dbraw/zinc/52/76/89/393527689.db2.gz KYZCUERWSWQULK-LJQANCHMSA-N 2 1 297.446 3.312 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000430138488 393529002 /nfs/dbraw/zinc/52/90/02/393529002.db2.gz NHKMQHHYSWHHBL-IBGZPJMESA-N 2 1 296.414 3.474 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000430138488 393529008 /nfs/dbraw/zinc/52/90/08/393529008.db2.gz NHKMQHHYSWHHBL-IBGZPJMESA-N 2 1 296.414 3.474 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000430138488 393529013 /nfs/dbraw/zinc/52/90/13/393529013.db2.gz NHKMQHHYSWHHBL-IBGZPJMESA-N 2 1 296.414 3.474 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000430138488 393529017 /nfs/dbraw/zinc/52/90/17/393529017.db2.gz NHKMQHHYSWHHBL-IBGZPJMESA-N 2 1 296.414 3.474 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420957435 393557386 /nfs/dbraw/zinc/55/73/86/393557386.db2.gz ALLXXQHYMIBQIN-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420957435 393557391 /nfs/dbraw/zinc/55/73/91/393557391.db2.gz ALLXXQHYMIBQIN-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)CC[NH2+]1 ZINC000666654551 542805741 /nfs/dbraw/zinc/80/57/41/542805741.db2.gz RCVHEFAWGJOMMO-LPWJVIDDSA-N 2 1 278.362 3.037 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770237 542814433 /nfs/dbraw/zinc/81/44/33/542814433.db2.gz QATODQCIURTTJP-ZFWWWQNUSA-N 2 1 278.465 3.071 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430643436 393581886 /nfs/dbraw/zinc/58/18/86/393581886.db2.gz RBSJNHZMWOZGMU-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000361133069 393680011 /nfs/dbraw/zinc/68/00/11/393680011.db2.gz UQUDBMYNMYKODX-ZBFHGGJFSA-N 2 1 275.440 3.169 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000361133069 393680015 /nfs/dbraw/zinc/68/00/15/393680015.db2.gz UQUDBMYNMYKODX-ZBFHGGJFSA-N 2 1 275.440 3.169 20 0 CGADMP CCCC(CCC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432426556 393612748 /nfs/dbraw/zinc/61/27/48/393612748.db2.gz SEKNWZDCMRPYKT-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC(CCC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432426556 393612754 /nfs/dbraw/zinc/61/27/54/393612754.db2.gz SEKNWZDCMRPYKT-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000360966470 393626404 /nfs/dbraw/zinc/62/64/04/393626404.db2.gz PKADBTWSSRXQTJ-OAHLLOKOSA-N 2 1 292.471 3.127 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000360966470 393626409 /nfs/dbraw/zinc/62/64/09/393626409.db2.gz PKADBTWSSRXQTJ-OAHLLOKOSA-N 2 1 292.471 3.127 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCF)CC[N@@H+]1Cc1ccccc1 ZINC000361000917 393635652 /nfs/dbraw/zinc/63/56/52/393635652.db2.gz CYTLCBSNMJYCRN-RDJZCZTQSA-N 2 1 278.415 3.379 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCF)CC[N@H+]1Cc1ccccc1 ZINC000361000917 393635657 /nfs/dbraw/zinc/63/56/57/393635657.db2.gz CYTLCBSNMJYCRN-RDJZCZTQSA-N 2 1 278.415 3.379 20 0 CGADMP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423052392 393648916 /nfs/dbraw/zinc/64/89/16/393648916.db2.gz QLXIQBCANKKJOG-YEWWUXTCSA-N 2 1 297.402 3.065 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(C)ccc1OC ZINC000424375711 393683346 /nfs/dbraw/zinc/68/33/46/393683346.db2.gz NNVPKFRUEXMQEQ-BZUAXINKSA-N 2 1 276.424 3.314 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCC1)CCCO2 ZINC000423339823 393662271 /nfs/dbraw/zinc/66/22/71/393662271.db2.gz WZBGDZISEQCYNS-MRXNPFEDSA-N 2 1 288.435 3.495 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423440712 393667811 /nfs/dbraw/zinc/66/78/11/393667811.db2.gz AWUQMODXXZQNGG-TZMCWYRMSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423451369 393667826 /nfs/dbraw/zinc/66/78/26/393667826.db2.gz UUMXMPMHIYLIDQ-PKFCDNJMSA-N 2 1 297.240 3.152 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000423459788 393668466 /nfs/dbraw/zinc/66/84/66/393668466.db2.gz IKALZQOTKYHTCT-GXTWGEPZSA-N 2 1 264.438 3.167 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423463137 393669486 /nfs/dbraw/zinc/66/94/86/393669486.db2.gz LCWWBRMOUHBCMZ-PKFCDNJMSA-N 2 1 297.240 3.152 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000425333411 393692235 /nfs/dbraw/zinc/69/22/35/393692235.db2.gz CBBJMFRIUVXZSQ-SOUVJXGZSA-N 2 1 270.486 3.125 20 0 CGADMP CC[N@@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H](C)C1 ZINC000361181996 393695545 /nfs/dbraw/zinc/69/55/45/393695545.db2.gz UMVRVAYOBNMEPP-XJKSGUPXSA-N 2 1 273.424 3.103 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H](C)C1 ZINC000361181996 393695554 /nfs/dbraw/zinc/69/55/54/393695554.db2.gz UMVRVAYOBNMEPP-XJKSGUPXSA-N 2 1 273.424 3.103 20 0 CGADMP CCCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498896007 393786339 /nfs/dbraw/zinc/78/63/39/393786339.db2.gz YFUWSMLYVIHXEY-SFHVURJKSA-N 2 1 296.499 3.247 20 0 CGADMP CCCCOCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498896007 393786341 /nfs/dbraw/zinc/78/63/41/393786341.db2.gz YFUWSMLYVIHXEY-SFHVURJKSA-N 2 1 296.499 3.247 20 0 CGADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@H](C)C1 ZINC000444608136 393790436 /nfs/dbraw/zinc/79/04/36/393790436.db2.gz KODYQERXXFISFC-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445765395 393821300 /nfs/dbraw/zinc/82/13/00/393821300.db2.gz FHTULFKZQZPSAI-KRWDZBQOSA-N 2 1 284.407 3.108 20 0 CGADMP COCC[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000502685871 393882082 /nfs/dbraw/zinc/88/20/82/393882082.db2.gz KKXNSPAADIIPPY-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000502698575 393882537 /nfs/dbraw/zinc/88/25/37/393882537.db2.gz NQLJNGIWZXARRX-JCECYMMASA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560973 393903871 /nfs/dbraw/zinc/90/38/71/393903871.db2.gz REOXUESBSKWYFN-WFDRTZIDSA-N 2 1 250.430 3.026 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCCC(C)(C)C1 ZINC000446075103 393846900 /nfs/dbraw/zinc/84/69/00/393846900.db2.gz VWISTYHFYQLPMF-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCCC(C)(C)C1 ZINC000446075103 393846903 /nfs/dbraw/zinc/84/69/03/393846903.db2.gz VWISTYHFYQLPMF-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCCC(C)(C)C1 ZINC000446075103 393846907 /nfs/dbraw/zinc/84/69/07/393846907.db2.gz VWISTYHFYQLPMF-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2COCC2(C)C)cc1 ZINC000449621946 393923490 /nfs/dbraw/zinc/92/34/90/393923490.db2.gz BMIDYVNTCUTIML-DYVFJYSZSA-N 2 1 299.418 3.256 20 0 CGADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000449646871 393933763 /nfs/dbraw/zinc/93/37/63/393933763.db2.gz CICWQHBYCFERTN-JZXOWHBKSA-N 2 1 299.462 3.174 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCCC2(F)F)CC[N@@H+]1C ZINC000450470031 393998217 /nfs/dbraw/zinc/99/82/17/393998217.db2.gz SLFWBGYGZSYTDW-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCCC2(F)F)CC[N@H+]1C ZINC000450470031 393998222 /nfs/dbraw/zinc/99/82/22/393998222.db2.gz SLFWBGYGZSYTDW-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCCC2(F)F)CC[NH+]1C ZINC000450470031 393998225 /nfs/dbraw/zinc/99/82/25/393998225.db2.gz SLFWBGYGZSYTDW-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCCC2(F)F)CC[NH+]1C ZINC000450470031 393998230 /nfs/dbraw/zinc/99/82/30/393998230.db2.gz SLFWBGYGZSYTDW-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccncn1 ZINC000453129056 394182205 /nfs/dbraw/zinc/18/22/05/394182205.db2.gz NIVGPMOEVZXPIQ-VYDXJSESSA-N 2 1 290.455 3.028 20 0 CGADMP CC[N@H+](CC[NH2+][C@H](C)CCCc1cccnc1)C(C)C ZINC000453093538 394168922 /nfs/dbraw/zinc/16/89/22/394168922.db2.gz NGSFUIMPCUXBPB-MRXNPFEDSA-N 2 1 277.456 3.113 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H](C)CCCc1cccnc1)C(C)C ZINC000453093538 394168926 /nfs/dbraw/zinc/16/89/26/394168926.db2.gz NGSFUIMPCUXBPB-MRXNPFEDSA-N 2 1 277.456 3.113 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](CC)c2ccncc2)CC1 ZINC000453096321 394169709 /nfs/dbraw/zinc/16/97/09/394169709.db2.gz ZENZCOLQEMTCDK-QGZVFWFLSA-N 2 1 275.440 3.387 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453103936 394172778 /nfs/dbraw/zinc/17/27/78/394172778.db2.gz YEOMNZMXBDWQHX-AEFFLSMTSA-N 2 1 289.467 3.114 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453604241 394256259 /nfs/dbraw/zinc/25/62/59/394256259.db2.gz YHFQZWDBIMQMNZ-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC000453605019 394256829 /nfs/dbraw/zinc/25/68/29/394256829.db2.gz ZMXSBKVFUIMXNS-UKRRQHHQSA-N 2 1 284.513 3.371 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453395285 394230429 /nfs/dbraw/zinc/23/04/29/394230429.db2.gz HOGBISMSKZDZSD-NSHDSACASA-N 2 1 281.469 3.285 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000453407054 394236097 /nfs/dbraw/zinc/23/60/97/394236097.db2.gz RSDGXRBJOMUEEJ-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+](Cc1cc2ccncc2s1)C[C@@H]1CCC[NH+](C)C1 ZINC000667517679 542882917 /nfs/dbraw/zinc/88/29/17/542882917.db2.gz BAWBUQZOJYMOKL-CYBMUJFWSA-N 2 1 289.448 3.070 20 0 CGADMP C[NH+](Cc1cc2ccncc2s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000667517679 542882919 /nfs/dbraw/zinc/88/29/19/542882919.db2.gz BAWBUQZOJYMOKL-CYBMUJFWSA-N 2 1 289.448 3.070 20 0 CGADMP C[NH+](Cc1cc2ccncc2s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000667517679 542882922 /nfs/dbraw/zinc/88/29/22/542882922.db2.gz BAWBUQZOJYMOKL-CYBMUJFWSA-N 2 1 289.448 3.070 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc21 ZINC000667517713 542882838 /nfs/dbraw/zinc/88/28/38/542882838.db2.gz CLERUSBEKGCRKT-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc21 ZINC000667517713 542882841 /nfs/dbraw/zinc/88/28/41/542882841.db2.gz CLERUSBEKGCRKT-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc21 ZINC000667517713 542882844 /nfs/dbraw/zinc/88/28/44/542882844.db2.gz CLERUSBEKGCRKT-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc21 ZINC000667517713 542882847 /nfs/dbraw/zinc/88/28/47/542882847.db2.gz CLERUSBEKGCRKT-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP Fc1ccc(C[C@@H]2CC[N@@H+](Cc3cnc4n3CCC4)C2)cc1 ZINC000667642675 542902382 /nfs/dbraw/zinc/90/23/82/542902382.db2.gz GZEKYFHEYXHLPK-HNNXBMFYSA-N 2 1 299.393 3.033 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(COC)cs2)C[C@H]1C ZINC000667664561 542911354 /nfs/dbraw/zinc/91/13/54/542911354.db2.gz NVSXLDYPMPWNGH-HIFRSBDPSA-N 2 1 296.480 3.199 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(COC)cs2)C[C@H]1C ZINC000667664561 542911356 /nfs/dbraw/zinc/91/13/56/542911356.db2.gz NVSXLDYPMPWNGH-HIFRSBDPSA-N 2 1 296.480 3.199 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(COC)cs2)C[C@H]1C ZINC000667664561 542911358 /nfs/dbraw/zinc/91/13/58/542911358.db2.gz NVSXLDYPMPWNGH-HIFRSBDPSA-N 2 1 296.480 3.199 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(COC)cs2)C[C@H]1C ZINC000667664561 542911361 /nfs/dbraw/zinc/91/13/61/542911361.db2.gz NVSXLDYPMPWNGH-HIFRSBDPSA-N 2 1 296.480 3.199 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)[nH]c2c1 ZINC000667667640 542911854 /nfs/dbraw/zinc/91/18/54/542911854.db2.gz SCZJGQLSYSVXSJ-RHSMWYFYSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)[nH]c2c1 ZINC000667667640 542911857 /nfs/dbraw/zinc/91/18/57/542911857.db2.gz SCZJGQLSYSVXSJ-RHSMWYFYSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)[nH]c2c1 ZINC000667667640 542911860 /nfs/dbraw/zinc/91/18/60/542911860.db2.gz SCZJGQLSYSVXSJ-RHSMWYFYSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)[nH]c2c1 ZINC000667667640 542911863 /nfs/dbraw/zinc/91/18/63/542911863.db2.gz SCZJGQLSYSVXSJ-RHSMWYFYSA-N 2 1 285.435 3.391 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CCCCC1 ZINC000667812741 542932080 /nfs/dbraw/zinc/93/20/80/542932080.db2.gz VJOOUNDAUGAWMW-VNQPRFMTSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CCCCC1 ZINC000667812741 542932082 /nfs/dbraw/zinc/93/20/82/542932082.db2.gz VJOOUNDAUGAWMW-VNQPRFMTSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667912173 542944619 /nfs/dbraw/zinc/94/46/19/542944619.db2.gz ACEZGDDTHNRLMI-NCOADZHNSA-N 2 1 264.457 3.133 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000668159395 542977917 /nfs/dbraw/zinc/97/79/17/542977917.db2.gz VEMBRRKAJUDDDP-KBPBESRZSA-N 2 1 287.407 3.209 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000668159395 542977920 /nfs/dbraw/zinc/97/79/20/542977920.db2.gz VEMBRRKAJUDDDP-KBPBESRZSA-N 2 1 287.407 3.209 20 0 CGADMP C1CC2(C1)CC([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000668586246 543030642 /nfs/dbraw/zinc/03/06/42/543030642.db2.gz BTDNTQBQRQROBY-CQSZACIVSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)CC([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000668586246 543030644 /nfs/dbraw/zinc/03/06/44/543030644.db2.gz BTDNTQBQRQROBY-CQSZACIVSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000668818173 543065878 /nfs/dbraw/zinc/06/58/78/543065878.db2.gz FRGNQVWAPOQULU-HOCLYGCPSA-N 2 1 266.473 3.380 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC000670264818 543147428 /nfs/dbraw/zinc/14/74/28/543147428.db2.gz GTFUPHZDEXMXHQ-ILXRZTDVSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC000670264818 543147430 /nfs/dbraw/zinc/14/74/30/543147430.db2.gz GTFUPHZDEXMXHQ-ILXRZTDVSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC000670264818 543147433 /nfs/dbraw/zinc/14/74/33/543147433.db2.gz GTFUPHZDEXMXHQ-ILXRZTDVSA-N 2 1 254.462 3.331 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C(C)(C)C ZINC000670265173 543148276 /nfs/dbraw/zinc/14/82/76/543148276.db2.gz VMOIYDWSDLTOPL-ZBFHGGJFSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C(C)(C)C ZINC000670265173 543148279 /nfs/dbraw/zinc/14/82/79/543148279.db2.gz VMOIYDWSDLTOPL-ZBFHGGJFSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C(C)(C)C ZINC000670265173 543148281 /nfs/dbraw/zinc/14/82/81/543148281.db2.gz VMOIYDWSDLTOPL-ZBFHGGJFSA-N 2 1 266.473 3.332 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408280 397608345 /nfs/dbraw/zinc/60/83/45/397608345.db2.gz XZBUBGXDVUQEOL-INIZCTEOSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027691 397610913 /nfs/dbraw/zinc/61/09/13/397610913.db2.gz PNTPXZZIXQNRDM-ZFWWWQNUSA-N 2 1 254.377 3.324 20 0 CGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027691 397610915 /nfs/dbraw/zinc/61/09/15/397610915.db2.gz PNTPXZZIXQNRDM-ZFWWWQNUSA-N 2 1 254.377 3.324 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c3ccccc23)CC[C@H]1[NH3+] ZINC000387515896 397690298 /nfs/dbraw/zinc/69/02/98/397690298.db2.gz OVJNUUUDAUHQGX-RDTXWAMCSA-N 2 1 298.430 3.408 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)CC)[C@@H](C)C1 ZINC000674305653 543280692 /nfs/dbraw/zinc/28/06/92/543280692.db2.gz NBMDWSTZMJOCOG-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000429517241 292125634 /nfs/dbraw/zinc/12/56/34/292125634.db2.gz MWVZNINVUSBWBH-HRCADAONSA-N 2 1 282.472 3.187 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000429517241 292125635 /nfs/dbraw/zinc/12/56/35/292125635.db2.gz MWVZNINVUSBWBH-HRCADAONSA-N 2 1 282.472 3.187 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c1)CCC2 ZINC000650702892 397897776 /nfs/dbraw/zinc/89/77/76/397897776.db2.gz ZRWDVTPBUQGNDG-MJGOQNOKSA-N 2 1 284.447 3.139 20 0 CGADMP C[C@]1(C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)CC[NH2+]C1 ZINC000650709660 397898013 /nfs/dbraw/zinc/89/80/13/397898013.db2.gz KVOJUVUTGQACPL-IBGZPJMESA-N 2 1 296.414 3.304 20 0 CGADMP C[C@]1(C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)CC[NH2+]C1 ZINC000650709660 397898014 /nfs/dbraw/zinc/89/80/14/397898014.db2.gz KVOJUVUTGQACPL-IBGZPJMESA-N 2 1 296.414 3.304 20 0 CGADMP CC[C@@H](C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000650709309 397898029 /nfs/dbraw/zinc/89/80/29/397898029.db2.gz QEJHFZFBKHQKBG-SZMVWBNQSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000650711569 397899087 /nfs/dbraw/zinc/89/90/87/397899087.db2.gz XOGOAGUFZHVFRI-QODHUSCHSA-N 2 1 276.399 3.288 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882564 543369900 /nfs/dbraw/zinc/36/99/00/543369900.db2.gz RTXQCOKUNIQIRB-SJLPKXTDSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)(C)CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240780 543441505 /nfs/dbraw/zinc/44/15/05/543441505.db2.gz KMWDTIKCSDGTFH-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678265536 543504410 /nfs/dbraw/zinc/50/44/10/543504410.db2.gz VPRURMOKDNUYTP-MRXNPFEDSA-N 2 1 290.451 3.392 20 0 CGADMP c1ccc2c(c1)n[nH]c2CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000678272562 543507491 /nfs/dbraw/zinc/50/74/91/543507491.db2.gz DEJIBPSGLRNRQA-HNNXBMFYSA-N 2 1 298.434 3.013 20 0 CGADMP CCOCCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000422891995 286048062 /nfs/dbraw/zinc/04/80/62/286048062.db2.gz XFTUKYKGJAKMLV-AWEZNQCLSA-N 2 1 291.439 3.132 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)n1 ZINC000678413851 543521571 /nfs/dbraw/zinc/52/15/71/543521571.db2.gz LSSJLHOHRNBMBM-HNNXBMFYSA-N 2 1 287.451 3.366 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1ccncc1F ZINC000678788086 543558332 /nfs/dbraw/zinc/55/83/32/543558332.db2.gz DSYZHGQNBMVHES-UHFFFAOYSA-N 2 1 287.382 3.095 20 0 CGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000678822882 543563495 /nfs/dbraw/zinc/56/34/95/543563495.db2.gz KBSGPXLMQILCHE-WBVHZDCISA-N 2 1 299.418 3.332 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554050352 289253413 /nfs/dbraw/zinc/25/34/13/289253413.db2.gz JRZYVBWAGRUUAY-SSRUIJIPSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554050352 289253415 /nfs/dbraw/zinc/25/34/15/289253415.db2.gz JRZYVBWAGRUUAY-SSRUIJIPSA-N 2 1 264.457 3.131 20 0 CGADMP CC[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+]1CCCC1 ZINC000189060893 286841242 /nfs/dbraw/zinc/84/12/42/286841242.db2.gz UHIHXCXTQQSQEV-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H](CC1CCOCC1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000360004981 298364374 /nfs/dbraw/zinc/36/43/74/298364374.db2.gz DWKKRWIPUGBAQG-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075836001 287028988 /nfs/dbraw/zinc/02/89/88/287028988.db2.gz PFFMFZHPQHEOFW-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC(C)C)c2)CC1 ZINC000077249478 287038292 /nfs/dbraw/zinc/03/82/92/287038292.db2.gz DBHYSIZVKOSEAM-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC(C)C)c2)CC1 ZINC000077249478 287038296 /nfs/dbraw/zinc/03/82/96/287038296.db2.gz DBHYSIZVKOSEAM-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393245 287046837 /nfs/dbraw/zinc/04/68/37/287046837.db2.gz DRXFTILOEKGRHW-LZWOXQAQSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000092346010 165289733 /nfs/dbraw/zinc/28/97/33/165289733.db2.gz XLHCFWZRPDSLMP-HUUCEWRRSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522165 165353268 /nfs/dbraw/zinc/35/32/68/165353268.db2.gz MWPVAGNCZMTLJW-SUMWQHHRSA-N 2 1 258.409 3.123 20 0 CGADMP C[NH2+]CCC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000094970095 165398927 /nfs/dbraw/zinc/39/89/27/165398927.db2.gz XMBSDQOPBNCBCQ-UHFFFAOYSA-N 2 1 295.496 3.262 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000114478824 287151374 /nfs/dbraw/zinc/15/13/74/287151374.db2.gz YBTYCWKOUGSFGE-MRXNPFEDSA-N 2 1 292.492 3.279 20 0 CGADMP C[C@@H](C[NH+]1CCC([NH2+]CC2CC2)CC1)c1ccc(F)cc1 ZINC000261996935 165846917 /nfs/dbraw/zinc/84/69/17/165846917.db2.gz SXDMPHKRPYJAOV-AWEZNQCLSA-N 2 1 290.426 3.393 20 0 CGADMP CC(C)OCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000008731128 170351279 /nfs/dbraw/zinc/35/12/79/170351279.db2.gz VDQRRXRYUTUCFE-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1OC(F)F ZINC000020129057 171016107 /nfs/dbraw/zinc/01/61/07/171016107.db2.gz IXBQETKNGDLLPB-CYBMUJFWSA-N 2 1 298.377 3.425 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccs2)CC1 ZINC000020189699 171055939 /nfs/dbraw/zinc/05/59/39/171055939.db2.gz KTRJSPWSBNAFPG-GFCCVEGCSA-N 2 1 252.427 3.273 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000020190069 171056851 /nfs/dbraw/zinc/05/68/51/171056851.db2.gz UCGRMKCQHZSOOE-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCSC2)C1 ZINC000365881685 287275307 /nfs/dbraw/zinc/27/53/07/287275307.db2.gz MJFVJHOZEKVUGC-IXDOHACOSA-N 2 1 296.524 3.326 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000365881685 287275309 /nfs/dbraw/zinc/27/53/09/287275309.db2.gz MJFVJHOZEKVUGC-IXDOHACOSA-N 2 1 296.524 3.326 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000365881685 287275310 /nfs/dbraw/zinc/27/53/10/287275310.db2.gz MJFVJHOZEKVUGC-IXDOHACOSA-N 2 1 296.524 3.326 20 0 CGADMP CC(C)=CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000037187724 173018517 /nfs/dbraw/zinc/01/85/17/173018517.db2.gz VWFXVGFSHKYDFT-UHFFFAOYSA-N 2 1 258.409 3.207 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000037267161 173077964 /nfs/dbraw/zinc/07/79/64/173077964.db2.gz MEYHWVWHKNKHIE-NSHDSACASA-N 2 1 297.240 3.194 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267043 173078072 /nfs/dbraw/zinc/07/80/72/173078072.db2.gz QNPBUMQPJZXANZ-OAHLLOKOSA-N 2 1 290.451 3.466 20 0 CGADMP c1c2ccccc2oc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408363 173184457 /nfs/dbraw/zinc/18/44/57/173184457.db2.gz MMOSYTPNIIFUAV-CYBMUJFWSA-N 2 1 270.376 3.007 20 0 CGADMP c1c2ccccc2oc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408363 173184459 /nfs/dbraw/zinc/18/44/59/173184459.db2.gz MMOSYTPNIIFUAV-CYBMUJFWSA-N 2 1 270.376 3.007 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000040640581 174364562 /nfs/dbraw/zinc/36/45/62/174364562.db2.gz JDKCBOJQQBWKMJ-MRXNPFEDSA-N 2 1 288.435 3.048 20 0 CGADMP Fc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1Cl ZINC000043388498 175033081 /nfs/dbraw/zinc/03/30/81/175033081.db2.gz VBZXEPRLKHQNOA-UHFFFAOYSA-N 2 1 270.779 3.055 20 0 CGADMP C[C@H](CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000043533992 175062821 /nfs/dbraw/zinc/06/28/21/175062821.db2.gz WWGMKQKKCOVDIA-CVEARBPZSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044374265 175168711 /nfs/dbraw/zinc/16/87/11/175168711.db2.gz IWSLYKNRVLBKSY-YIONKMFJSA-N 2 1 298.352 3.420 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527663 175192484 /nfs/dbraw/zinc/19/24/84/175192484.db2.gz BKDLLBGUXLKYRP-DOMZBBRYSA-N 2 1 266.816 3.462 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000128002961 287301074 /nfs/dbraw/zinc/30/10/74/287301074.db2.gz ZGGVEQQEXUGJNU-INIZCTEOSA-N 2 1 264.388 3.135 20 0 CGADMP Clc1ccc2c(N[C@@H]3CCC[NH2+]C3)cc[nH+]c2c1 ZINC000071397716 176151228 /nfs/dbraw/zinc/15/12/28/176151228.db2.gz VASODSQATBAKTA-LLVKDONJSA-N 2 1 261.756 3.052 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1F ZINC000050559325 416479225 /nfs/dbraw/zinc/47/92/25/416479225.db2.gz LSVJEKJBXVDOPO-WBVHZDCISA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1F ZINC000050559325 416479227 /nfs/dbraw/zinc/47/92/27/416479227.db2.gz LSVJEKJBXVDOPO-WBVHZDCISA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000314224784 416536045 /nfs/dbraw/zinc/53/60/45/416536045.db2.gz WHRYWCAGODCHDD-AWEZNQCLSA-N 2 1 257.381 3.012 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000315061937 416538247 /nfs/dbraw/zinc/53/82/47/416538247.db2.gz ZYYVSBGNYJTAQJ-HYVNUMGLSA-N 2 1 280.415 3.442 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)[C@H]1CC[NH3+] ZINC000404283308 416552571 /nfs/dbraw/zinc/55/25/71/416552571.db2.gz QVBBOVJWWXKUNR-CJNGLKHVSA-N 2 1 272.392 3.382 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404422807 416554064 /nfs/dbraw/zinc/55/40/64/416554064.db2.gz JPGMTKLBZKQTQM-YPMHNXCESA-N 2 1 252.427 3.006 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CCO1 ZINC000070359500 416491870 /nfs/dbraw/zinc/49/18/70/416491870.db2.gz IWRWTWDLBFDVIU-HZMVEIRTSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000122216826 416504420 /nfs/dbraw/zinc/50/44/20/416504420.db2.gz KWUPTUXLCTXGGK-ZOWXZIJZSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000122216826 416504427 /nfs/dbraw/zinc/50/44/27/416504427.db2.gz KWUPTUXLCTXGGK-ZOWXZIJZSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000134094795 416516782 /nfs/dbraw/zinc/51/67/82/416516782.db2.gz MOVAJHWARFJCDX-KSSFIOAISA-N 2 1 268.404 3.399 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000679444156 543636716 /nfs/dbraw/zinc/63/67/16/543636716.db2.gz UAYDMZNCULKWJO-BPQIPLTHSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]1C ZINC000679721562 543657702 /nfs/dbraw/zinc/65/77/02/543657702.db2.gz OSGLLTBJZQFTFW-AHCXZYCDSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+]CCCOC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401016 543708625 /nfs/dbraw/zinc/70/86/25/543708625.db2.gz ANUKUVAQHXQANC-HZPDHXFCSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078241 543823815 /nfs/dbraw/zinc/82/38/15/543823815.db2.gz WELSQXJKFDZYBL-BPQIPLTHSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078241 543823818 /nfs/dbraw/zinc/82/38/18/543823818.db2.gz WELSQXJKFDZYBL-BPQIPLTHSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078241 543823820 /nfs/dbraw/zinc/82/38/20/543823820.db2.gz WELSQXJKFDZYBL-BPQIPLTHSA-N 2 1 270.420 3.090 20 0 CGADMP Cc1ccnc(NC[C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000682404379 543841019 /nfs/dbraw/zinc/84/10/19/543841019.db2.gz DFATXYOVZZMUCD-MRXNPFEDSA-N 2 1 297.402 3.030 20 0 CGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000682404379 543841024 /nfs/dbraw/zinc/84/10/24/543841024.db2.gz DFATXYOVZZMUCD-MRXNPFEDSA-N 2 1 297.402 3.030 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CCC[NH+](CC)CC)c1 ZINC000131425869 287379548 /nfs/dbraw/zinc/37/95/48/287379548.db2.gz FHKNFZIAMLWVPY-OAHLLOKOSA-N 2 1 278.440 3.468 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)ccn1 ZINC000683224502 543905444 /nfs/dbraw/zinc/90/54/44/543905444.db2.gz KHEYRXXQKMRBGV-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)ccn1 ZINC000683224502 543905446 /nfs/dbraw/zinc/90/54/46/543905446.db2.gz KHEYRXXQKMRBGV-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nccc2ccccc21 ZINC000685462178 544074484 /nfs/dbraw/zinc/07/44/84/544074484.db2.gz SKKVIEKNWUCFCP-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nccc2ccccc21 ZINC000685462178 544074486 /nfs/dbraw/zinc/07/44/86/544074486.db2.gz SKKVIEKNWUCFCP-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1C1CC1 ZINC000684966244 544047432 /nfs/dbraw/zinc/04/74/32/544047432.db2.gz AVNWYPCGSFZAJI-UHFFFAOYSA-N 2 1 272.436 3.482 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1C1CC1 ZINC000684966244 544047434 /nfs/dbraw/zinc/04/74/34/544047434.db2.gz AVNWYPCGSFZAJI-UHFFFAOYSA-N 2 1 272.436 3.482 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685838060 544099947 /nfs/dbraw/zinc/09/99/47/544099947.db2.gz AMMPXODDXROTIW-MRXNPFEDSA-N 2 1 286.463 3.065 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCC23CCOCC3)([NH+](C)C)C1 ZINC000370024026 287429508 /nfs/dbraw/zinc/42/95/08/287429508.db2.gz ZQHMBWOLUBOXLG-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741376 418936427 /nfs/dbraw/zinc/93/64/27/418936427.db2.gz CHLRRTFDUWFNIP-QSPRXWTASA-N 2 1 274.452 3.359 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(C)c1OC(F)F ZINC000653279593 419022923 /nfs/dbraw/zinc/02/29/23/419022923.db2.gz RURKSYZTISXSGP-GXTWGEPZSA-N 2 1 298.377 3.216 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccs1)C1CC1 ZINC000653483638 419035360 /nfs/dbraw/zinc/03/53/60/419035360.db2.gz YWHBLEMGMBTPQW-UHFFFAOYSA-N 2 1 275.421 3.079 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccs1)C1CC1 ZINC000653483638 419035364 /nfs/dbraw/zinc/03/53/64/419035364.db2.gz YWHBLEMGMBTPQW-UHFFFAOYSA-N 2 1 275.421 3.079 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000659943310 419038955 /nfs/dbraw/zinc/03/89/55/419038955.db2.gz ATXFIZMELSGDHF-FHWLQOOXSA-N 2 1 284.447 3.493 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCC(C)(C)C2CC2)CC1 ZINC000653564300 419050681 /nfs/dbraw/zinc/05/06/81/419050681.db2.gz ZSABWHHLFURJPR-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCC(C)(C)C2CC2)CC1 ZINC000653564300 419050683 /nfs/dbraw/zinc/05/06/83/419050683.db2.gz ZSABWHHLFURJPR-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP c1cc2c(cc[nH+]c2NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000664679937 418992869 /nfs/dbraw/zinc/99/28/69/418992869.db2.gz ZBPUFGGMZODATG-AWEZNQCLSA-N 2 1 284.407 3.097 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665248986 419092317 /nfs/dbraw/zinc/09/23/17/419092317.db2.gz HKCFAJBYCOUDBD-GFCCVEGCSA-N 2 1 264.438 3.331 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665249910 419092843 /nfs/dbraw/zinc/09/28/43/419092843.db2.gz AYGRVXAHYAOWNN-KFKAGJAMSA-N 2 1 298.430 3.336 20 0 CGADMP CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000665255625 419094332 /nfs/dbraw/zinc/09/43/32/419094332.db2.gz YHSQNQXTUDGMGT-ZTFGCOKTSA-N 2 1 290.451 3.309 20 0 CGADMP C[C@H](CC1CCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251279 419094515 /nfs/dbraw/zinc/09/45/15/419094515.db2.gz LNPYEPUOECCFSN-ZTFGCOKTSA-N 2 1 272.436 3.300 20 0 CGADMP CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257169 419095709 /nfs/dbraw/zinc/09/57/09/419095709.db2.gz BHNAHALBJVMDDB-DAXOMENPSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C)c([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1C ZINC000665276527 419099822 /nfs/dbraw/zinc/09/98/22/419099822.db2.gz FSOGSHNEGWKSGR-UQPPLGOBSA-N 2 1 258.409 3.014 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2coc(C)n2)CC1 ZINC000660241594 419107699 /nfs/dbraw/zinc/10/76/99/419107699.db2.gz FGENJHDUNAKFOU-UHFFFAOYSA-N 2 1 293.455 3.317 20 0 CGADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665295647 419109415 /nfs/dbraw/zinc/10/94/15/419109415.db2.gz HEAKIEKGHMBBDC-DZEZYYDTSA-N 2 1 290.451 3.160 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccs1 ZINC000660251689 419112341 /nfs/dbraw/zinc/11/23/41/419112341.db2.gz BEYMHIVKHNTGAI-LSDHHAIUSA-N 2 1 298.496 3.126 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccs1 ZINC000660251689 419112344 /nfs/dbraw/zinc/11/23/44/419112344.db2.gz BEYMHIVKHNTGAI-LSDHHAIUSA-N 2 1 298.496 3.126 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000659977398 419050857 /nfs/dbraw/zinc/05/08/57/419050857.db2.gz XRJVCFCJWOENSC-UONOGXRCSA-N 2 1 276.415 3.332 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCc1c(F)cccc1F)C1CCCCC1 ZINC000655941066 419128977 /nfs/dbraw/zinc/12/89/77/419128977.db2.gz LQZHUBHCYGNYLX-QGZVFWFLSA-N 2 1 296.405 3.395 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660626781 419171787 /nfs/dbraw/zinc/17/17/87/419171787.db2.gz MAKQYKHLTQROFW-KRWDZBQOSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660626781 419171789 /nfs/dbraw/zinc/17/17/89/419171789.db2.gz MAKQYKHLTQROFW-KRWDZBQOSA-N 2 1 298.434 3.246 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654488 419175824 /nfs/dbraw/zinc/17/58/24/419175824.db2.gz GMDGDEUZOHETNY-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654488 419175828 /nfs/dbraw/zinc/17/58/28/419175828.db2.gz GMDGDEUZOHETNY-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654488 419175829 /nfs/dbraw/zinc/17/58/29/419175829.db2.gz GMDGDEUZOHETNY-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654488 419175830 /nfs/dbraw/zinc/17/58/30/419175830.db2.gz GMDGDEUZOHETNY-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660659091 419177029 /nfs/dbraw/zinc/17/70/29/419177029.db2.gz MTZKQBOEHPYNOZ-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659091 419177032 /nfs/dbraw/zinc/17/70/32/419177032.db2.gz MTZKQBOEHPYNOZ-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659091 419177033 /nfs/dbraw/zinc/17/70/33/419177033.db2.gz MTZKQBOEHPYNOZ-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3ncccc3c1)C2 ZINC000660661770 419179016 /nfs/dbraw/zinc/17/90/16/419179016.db2.gz GHCIJHUMNXUXMV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000660661770 419179019 /nfs/dbraw/zinc/17/90/19/419179019.db2.gz GHCIJHUMNXUXMV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000660661770 419179021 /nfs/dbraw/zinc/17/90/21/419179021.db2.gz GHCIJHUMNXUXMV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000655938286 419128370 /nfs/dbraw/zinc/12/83/70/419128370.db2.gz RBJTXEXTKCBMDL-SFHVURJKSA-N 2 1 288.435 3.004 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000655938286 419128381 /nfs/dbraw/zinc/12/83/81/419128381.db2.gz RBJTXEXTKCBMDL-SFHVURJKSA-N 2 1 288.435 3.004 20 0 CGADMP CC(C)Oc1cccc([C@@H](C)NCc2cnc3n2CCC3)c1 ZINC000657313432 419248004 /nfs/dbraw/zinc/24/80/04/419248004.db2.gz QSZJLJAQALNAHX-CQSZACIVSA-N 2 1 299.418 3.467 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657347757 419256544 /nfs/dbraw/zinc/25/65/44/419256544.db2.gz XAMZLLLEUZVYMA-CQSZACIVSA-N 2 1 296.418 3.407 20 0 CGADMP c1nc2n(c1CNCc1ccccc1OC1CCC1)CCC2 ZINC000657365174 419260417 /nfs/dbraw/zinc/26/04/17/419260417.db2.gz XMUBJKXNLYDGGF-UHFFFAOYSA-N 2 1 297.402 3.050 20 0 CGADMP CC(C)COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788261 419219622 /nfs/dbraw/zinc/21/96/22/419219622.db2.gz GYNUSNPINZLQKR-UHFFFAOYSA-N 2 1 276.424 3.083 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2ccco2)CC1 ZINC000661161932 419236481 /nfs/dbraw/zinc/23/64/81/419236481.db2.gz BRBCMQVOTNRGDA-UHFFFAOYSA-N 2 1 287.407 3.444 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCC(F)CC1 ZINC000661999583 419322205 /nfs/dbraw/zinc/32/22/05/419322205.db2.gz HMXYDBQWVIGUEI-LMPOIIKSSA-N 2 1 270.436 3.367 20 0 CGADMP Fc1ccccc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000662309604 419388169 /nfs/dbraw/zinc/38/81/69/419388169.db2.gz AZDNDUZMKMVAOQ-OAHLLOKOSA-N 2 1 290.426 3.427 20 0 CGADMP Cc1cccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662313132 419389617 /nfs/dbraw/zinc/38/96/17/419389617.db2.gz JYWDBBOZYNHNLZ-SJLPKXTDSA-N 2 1 290.451 3.213 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCc2ccccc21 ZINC000662324618 419391686 /nfs/dbraw/zinc/39/16/86/419391686.db2.gz ZIDOENDWIPPUDG-QGZVFWFLSA-N 2 1 272.436 3.038 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662322768 419393491 /nfs/dbraw/zinc/39/34/91/419393491.db2.gz XMUGCKUJUXPBRX-SJLPKXTDSA-N 2 1 290.451 3.099 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc2c(c1)CCCC2 ZINC000657864015 419394011 /nfs/dbraw/zinc/39/40/11/419394011.db2.gz MZUQTMVIJZETQH-OAHLLOKOSA-N 2 1 297.446 3.291 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657871664 419396672 /nfs/dbraw/zinc/39/66/72/419396672.db2.gz WHHHDOIXGACKQT-STQMWFEESA-N 2 1 298.390 3.320 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2(OC)CCC2)c1 ZINC000657872151 419397835 /nfs/dbraw/zinc/39/78/35/419397835.db2.gz OFSHCFYYJLLZDY-OAHLLOKOSA-N 2 1 290.451 3.186 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000657880021 419400949 /nfs/dbraw/zinc/40/09/49/419400949.db2.gz KIAPDALGCNLUHU-QLFBSQMISA-N 2 1 270.486 3.125 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000657880021 419400955 /nfs/dbraw/zinc/40/09/55/419400955.db2.gz KIAPDALGCNLUHU-QLFBSQMISA-N 2 1 270.486 3.125 20 0 CGADMP CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C)C(C)C ZINC000662255657 419372123 /nfs/dbraw/zinc/37/21/23/419372123.db2.gz ZVSAGDCXILMGTI-CQSZACIVSA-N 2 1 260.425 3.199 20 0 CGADMP c1cc(C[N@@H+](C2CC2)C2CCCC2)c2c(c1)C[NH2+]CC2 ZINC000662250318 419374117 /nfs/dbraw/zinc/37/41/17/419374117.db2.gz FMJOAEQWNTZXRO-UHFFFAOYSA-N 2 1 270.420 3.239 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)nc1 ZINC000662260454 419375903 /nfs/dbraw/zinc/37/59/03/419375903.db2.gz LTHYIUUNOHWBML-IBGZPJMESA-N 2 1 293.414 3.064 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000657835884 419378713 /nfs/dbraw/zinc/37/87/13/419378713.db2.gz OYJGBOCEXDYPCC-RBSFLKMASA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCSCC1)[N@H+]1CCCC[C@H]1C ZINC000657835884 419378716 /nfs/dbraw/zinc/37/87/16/419378716.db2.gz OYJGBOCEXDYPCC-RBSFLKMASA-N 2 1 270.486 3.125 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657838630 419382147 /nfs/dbraw/zinc/38/21/47/419382147.db2.gz DIEMGJLFZMXZLR-OWCLPIDISA-N 2 1 284.513 3.230 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C1CC(CF)(CF)C1)C1CCCCC1 ZINC000657839876 419382422 /nfs/dbraw/zinc/38/24/22/419382422.db2.gz IMTJJWOPEUVSNZ-HNNXBMFYSA-N 2 1 288.426 3.174 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000662285747 419385460 /nfs/dbraw/zinc/38/54/60/419385460.db2.gz MWZQMSHEYKOJHK-XQQFMLRXSA-N 2 1 262.388 3.117 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657844857 419385459 /nfs/dbraw/zinc/38/54/59/419385459.db2.gz KOTNRELJIJFPJS-LVQVYYBASA-N 2 1 264.457 3.133 20 0 CGADMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1Cl ZINC000662282335 419385935 /nfs/dbraw/zinc/38/59/35/419385935.db2.gz GIHVSIRQVHEFET-DYEKYZERSA-N 2 1 296.842 3.154 20 0 CGADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1Cl ZINC000662282335 419385941 /nfs/dbraw/zinc/38/59/41/419385941.db2.gz GIHVSIRQVHEFET-DYEKYZERSA-N 2 1 296.842 3.154 20 0 CGADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000662294875 419386358 /nfs/dbraw/zinc/38/63/58/419386358.db2.gz FWLNIPLSCCCAKK-JKSUJKDBSA-N 2 1 258.409 3.050 20 0 CGADMP CC(C)CCC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344961 419567530 /nfs/dbraw/zinc/56/75/30/419567530.db2.gz DGHKHDPMPWCHDX-MRXNPFEDSA-N 2 1 252.446 3.134 20 0 CGADMP Fc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345880 419568150 /nfs/dbraw/zinc/56/81/50/419568150.db2.gz NOWQROGJGONLHH-CQSZACIVSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345880 419568157 /nfs/dbraw/zinc/56/81/57/419568157.db2.gz NOWQROGJGONLHH-CQSZACIVSA-N 2 1 294.389 3.176 20 0 CGADMP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658078574 419549340 /nfs/dbraw/zinc/54/93/40/419549340.db2.gz VUKSPLUMWYEYOJ-INIZCTEOSA-N 2 1 290.426 3.363 20 0 CGADMP c1c2cccnc2oc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344955 419565664 /nfs/dbraw/zinc/56/56/64/419565664.db2.gz ZUTSWGZYUGHYON-OAHLLOKOSA-N 2 1 299.418 3.039 20 0 CGADMP c1c2cccnc2oc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344955 419565668 /nfs/dbraw/zinc/56/56/68/419565668.db2.gz ZUTSWGZYUGHYON-OAHLLOKOSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663344132 419566016 /nfs/dbraw/zinc/56/60/16/419566016.db2.gz OQXBNZYEHPNAES-OAHLLOKOSA-N 2 1 278.465 3.268 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)CC[N@H+]1C ZINC000663477993 419632003 /nfs/dbraw/zinc/63/20/03/419632003.db2.gz IZZWCHLGQMQVNV-GHMZBOCLSA-N 2 1 266.351 3.037 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000663514446 419638524 /nfs/dbraw/zinc/63/85/24/419638524.db2.gz RKRUDCBQRZBZLK-QWRGUYRKSA-N 2 1 274.330 3.006 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000663510056 419639951 /nfs/dbraw/zinc/63/99/51/419639951.db2.gz OLEUBVSYGIVALI-OOHWJJMZSA-N 2 1 260.425 3.084 20 0 CGADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465576 419615801 /nfs/dbraw/zinc/61/58/01/419615801.db2.gz KQFUKYDNRWPECK-NJAFHUGGSA-N 2 1 276.468 3.277 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663470305 419624574 /nfs/dbraw/zinc/62/45/74/419624574.db2.gz UTHOIUYDMHFFAF-GOEBONIOSA-N 2 1 276.424 3.361 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663470305 419624583 /nfs/dbraw/zinc/62/45/83/419624583.db2.gz UTHOIUYDMHFFAF-GOEBONIOSA-N 2 1 276.424 3.361 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3ccccc23)[C@@H](C)C1 ZINC000658215566 419667470 /nfs/dbraw/zinc/66/74/70/419667470.db2.gz UGQNGZYAVIMXGJ-YJBOKZPZSA-N 2 1 299.462 3.041 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC2CCC2)[C@H](C)C1 ZINC000658220804 419677434 /nfs/dbraw/zinc/67/74/34/419677434.db2.gz IPWXWGFGEMWUHD-SJLPKXTDSA-N 2 1 296.499 3.293 20 0 CGADMP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000663734717 419698339 /nfs/dbraw/zinc/69/83/39/419698339.db2.gz BQXYACKQQNOXFG-CXAGYDPISA-N 2 1 296.418 3.016 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658256808 419712366 /nfs/dbraw/zinc/71/23/66/419712366.db2.gz ZMZLZWUVTHOKQQ-CVEARBPZSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000658314100 419753592 /nfs/dbraw/zinc/75/35/92/419753592.db2.gz CLJIQHZFTKXTFX-CQSZACIVSA-N 2 1 296.405 3.407 20 0 CGADMP Cc1[nH+]cc(CNc2cc(C[NH+]3CCCC3)ccc2C)n1C ZINC000521371803 260089178 /nfs/dbraw/zinc/08/91/78/260089178.db2.gz LQFWLGMJGBLXTK-UHFFFAOYSA-N 2 1 298.434 3.245 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000037786246 260117995 /nfs/dbraw/zinc/11/79/95/260117995.db2.gz ZREHWIZAWJSNLU-MRXNPFEDSA-N 2 1 288.435 3.363 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000187130343 260132311 /nfs/dbraw/zinc/13/23/11/260132311.db2.gz JXZICKKXCMRUKU-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP CCc1ccc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000525517807 260230789 /nfs/dbraw/zinc/23/07/89/260230789.db2.gz GKFACRJJVNJMJN-GOSISDBHSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000525517807 260230791 /nfs/dbraw/zinc/23/07/91/260230791.db2.gz GKFACRJJVNJMJN-GOSISDBHSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000525517807 260230793 /nfs/dbraw/zinc/23/07/93/260230793.db2.gz GKFACRJJVNJMJN-GOSISDBHSA-N 2 1 274.452 3.065 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000223263245 260287592 /nfs/dbraw/zinc/28/75/92/260287592.db2.gz FHFIIBAKMHUIHH-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000223263245 260287593 /nfs/dbraw/zinc/28/75/93/260287593.db2.gz FHFIIBAKMHUIHH-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000223360654 260293668 /nfs/dbraw/zinc/29/36/68/260293668.db2.gz KJSXBCAFCRXKFJ-YQQAZPJKSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000223360654 260293671 /nfs/dbraw/zinc/29/36/71/260293671.db2.gz KJSXBCAFCRXKFJ-YQQAZPJKSA-N 2 1 260.425 3.437 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000521225565 261509633 /nfs/dbraw/zinc/50/96/33/261509633.db2.gz BXVRREPNKVWIKE-OAHLLOKOSA-N 2 1 280.387 3.017 20 0 CGADMP CCC1(CC)CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000341377060 263334562 /nfs/dbraw/zinc/33/45/62/263334562.db2.gz RGSBYDAKLBQKLT-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC2 ZINC000036996361 270028329 /nfs/dbraw/zinc/02/83/29/270028329.db2.gz OEOFXZWPOKCVHF-ZOCIIQOWSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC2 ZINC000036996361 270028330 /nfs/dbraw/zinc/02/83/30/270028330.db2.gz OEOFXZWPOKCVHF-ZOCIIQOWSA-N 2 1 284.447 3.453 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000036996503 270028342 /nfs/dbraw/zinc/02/83/42/270028342.db2.gz FKAPZDCEPFCHJE-QDIHITRGSA-N 2 1 250.430 3.172 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996503 270028343 /nfs/dbraw/zinc/02/83/43/270028343.db2.gz FKAPZDCEPFCHJE-QDIHITRGSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000037292684 270029141 /nfs/dbraw/zinc/02/91/41/270029141.db2.gz ODXKAJDQIRXZHV-QZTJIDSGSA-N 2 1 272.436 3.328 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000037292684 270029142 /nfs/dbraw/zinc/02/91/42/270029142.db2.gz ODXKAJDQIRXZHV-QZTJIDSGSA-N 2 1 272.436 3.328 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000040621246 270029559 /nfs/dbraw/zinc/02/95/59/270029559.db2.gz CWHOMAYPJOZFMK-WMZOPIPTSA-N 2 1 274.452 3.328 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044535671 270036396 /nfs/dbraw/zinc/03/63/96/270036396.db2.gz CSBCYAVVDRUCEB-OLZOCXBDSA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044535671 270036397 /nfs/dbraw/zinc/03/63/97/270036397.db2.gz CSBCYAVVDRUCEB-OLZOCXBDSA-N 2 1 252.427 3.049 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000044533813 270036733 /nfs/dbraw/zinc/03/67/33/270036733.db2.gz FVMCAXWBDIWISK-NWDGAFQWSA-N 2 1 284.806 3.472 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000084200216 270043328 /nfs/dbraw/zinc/04/33/28/270043328.db2.gz YMTDHRSYHCHEDZ-GRDNDAEWSA-N 2 1 260.425 3.067 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000191779891 270076218 /nfs/dbraw/zinc/07/62/18/270076218.db2.gz AHWBMFSWIYJADJ-KRWDZBQOSA-N 2 1 290.451 3.216 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000237434989 270090563 /nfs/dbraw/zinc/09/05/63/270090563.db2.gz XDXNDYVAABMGDB-RHSMWYFYSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000520229337 270098657 /nfs/dbraw/zinc/09/86/57/270098657.db2.gz MANUOBPSJQRFIJ-MRXNPFEDSA-N 2 1 260.425 3.023 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CCCc2cncn2C)c1 ZINC000520832982 270099185 /nfs/dbraw/zinc/09/91/85/270099185.db2.gz BNPJJQVAQRJWCQ-GOSISDBHSA-N 2 1 299.418 3.198 20 0 CGADMP COc1cccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000520832982 270099186 /nfs/dbraw/zinc/09/91/86/270099186.db2.gz BNPJJQVAQRJWCQ-GOSISDBHSA-N 2 1 299.418 3.198 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000520832982 270099187 /nfs/dbraw/zinc/09/91/87/270099187.db2.gz BNPJJQVAQRJWCQ-GOSISDBHSA-N 2 1 299.418 3.198 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000527639226 270130532 /nfs/dbraw/zinc/13/05/32/270130532.db2.gz RLVYXZFXKKEYQM-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000527639226 270130533 /nfs/dbraw/zinc/13/05/33/270130533.db2.gz RLVYXZFXKKEYQM-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC12CC2 ZINC000527848407 270139428 /nfs/dbraw/zinc/13/94/28/270139428.db2.gz OOJQJPVVLNDXHI-CRAIPNDOSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CC12CC2 ZINC000527848407 270139429 /nfs/dbraw/zinc/13/94/29/270139429.db2.gz OOJQJPVVLNDXHI-CRAIPNDOSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000527990176 270149042 /nfs/dbraw/zinc/14/90/42/270149042.db2.gz KKBAOVDVSGDLKW-PJODQICGSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000527990176 270149043 /nfs/dbraw/zinc/14/90/43/270149043.db2.gz KKBAOVDVSGDLKW-PJODQICGSA-N 2 1 278.827 3.400 20 0 CGADMP C/C(Cl)=C\C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528422240 270164890 /nfs/dbraw/zinc/16/48/90/270164890.db2.gz DCSLHWKVMDBPMQ-VJMJHCGCSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C\C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528422240 270164891 /nfs/dbraw/zinc/16/48/91/270164891.db2.gz DCSLHWKVMDBPMQ-VJMJHCGCSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C\C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528422240 270164892 /nfs/dbraw/zinc/16/48/92/270164892.db2.gz DCSLHWKVMDBPMQ-VJMJHCGCSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C\C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528422240 270164893 /nfs/dbraw/zinc/16/48/93/270164893.db2.gz DCSLHWKVMDBPMQ-VJMJHCGCSA-N 2 1 268.832 3.078 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529546101 270183676 /nfs/dbraw/zinc/18/36/76/270183676.db2.gz UDTHYCZIZVUNLR-KGLIPLIRSA-N 2 1 288.426 3.378 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2cc[nH]c2c1 ZINC000529566817 270185167 /nfs/dbraw/zinc/18/51/67/270185167.db2.gz HDOUTMJGVMZGQX-UHFFFAOYSA-N 2 1 285.435 3.476 20 0 CGADMP FC(F)(F)c1cccc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000530231516 270196874 /nfs/dbraw/zinc/19/68/74/270196874.db2.gz ILYNFIDDBMRJDU-LBPRGKRZSA-N 2 1 298.352 3.063 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)c1 ZINC000532522943 270217049 /nfs/dbraw/zinc/21/70/49/270217049.db2.gz IBWKTZGRLNBOOL-SNRMKQJTSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)c1 ZINC000532522943 270217050 /nfs/dbraw/zinc/21/70/50/270217050.db2.gz IBWKTZGRLNBOOL-SNRMKQJTSA-N 2 1 286.463 3.388 20 0 CGADMP CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000532565324 270217423 /nfs/dbraw/zinc/21/74/23/270217423.db2.gz AOGKKOMGFDVTCC-HOCLYGCPSA-N 2 1 269.392 3.493 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000247943537 274340572 /nfs/dbraw/zinc/34/05/72/274340572.db2.gz DGQHNIJNJANJDM-GZOSKZMVSA-N 2 1 272.436 3.035 20 0 CGADMP C[C@@]1(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCC[NH2+]C1 ZINC000423351993 274451088 /nfs/dbraw/zinc/45/10/88/274451088.db2.gz ZXFPUAUEQIIMLN-BLLLJJGKSA-N 2 1 298.352 3.071 20 0 CGADMP C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)OC1CCCCCC1 ZINC000420324609 275391812 /nfs/dbraw/zinc/39/18/12/275391812.db2.gz HHNSHLIIYRBOSY-SJORKVTESA-N 2 1 294.483 3.047 20 0 CGADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC1CCCCC1 ZINC000484818029 275393856 /nfs/dbraw/zinc/39/38/56/275393856.db2.gz GTBJENNRPAATPA-RCCFBDPRSA-N 2 1 294.483 3.094 20 0 CGADMP CC(C)[C@@H](C[NH2+]CC1CCCCC1)[NH+]1CCCC1 ZINC000019990817 275671007 /nfs/dbraw/zinc/67/10/07/275671007.db2.gz ODNKMIPDMRREFY-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113515549 276052948 /nfs/dbraw/zinc/05/29/48/276052948.db2.gz FNGRIRJZQWEDQB-MRXNPFEDSA-N 2 1 260.425 3.194 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000338282015 276095740 /nfs/dbraw/zinc/09/57/40/276095740.db2.gz OZQNCCJQLYIKAX-MAUKXSAKSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000338282015 276095741 /nfs/dbraw/zinc/09/57/41/276095741.db2.gz OZQNCCJQLYIKAX-MAUKXSAKSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000174226494 276106402 /nfs/dbraw/zinc/10/64/02/276106402.db2.gz QAYOSZDAKIRGDB-INIZCTEOSA-N 2 1 292.492 3.442 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000174226494 276106403 /nfs/dbraw/zinc/10/64/03/276106403.db2.gz QAYOSZDAKIRGDB-INIZCTEOSA-N 2 1 292.492 3.442 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081636875 276151390 /nfs/dbraw/zinc/15/13/90/276151390.db2.gz JERJLCVBIYKDHI-GOEBONIOSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000295906340 276212578 /nfs/dbraw/zinc/21/25/78/276212578.db2.gz IYGNNWSWQOEUID-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000218063928 277275707 /nfs/dbraw/zinc/27/57/07/277275707.db2.gz GCZDCZMCKCUNQN-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000218063928 277275709 /nfs/dbraw/zinc/27/57/09/277275709.db2.gz GCZDCZMCKCUNQN-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000429349235 277351291 /nfs/dbraw/zinc/35/12/91/277351291.db2.gz MGADBFVQONYCAF-NVXWUHKLSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000429349235 277351292 /nfs/dbraw/zinc/35/12/92/277351292.db2.gz MGADBFVQONYCAF-NVXWUHKLSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000429349235 277351293 /nfs/dbraw/zinc/35/12/93/277351293.db2.gz MGADBFVQONYCAF-NVXWUHKLSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414705662 277361601 /nfs/dbraw/zinc/36/16/01/277361601.db2.gz LQRHLWUCBXWMJK-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000335644328 278024891 /nfs/dbraw/zinc/02/48/91/278024891.db2.gz UCALJFTUAIECNV-IUODEOHRSA-N 2 1 278.827 3.401 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000335644328 278024892 /nfs/dbraw/zinc/02/48/92/278024892.db2.gz UCALJFTUAIECNV-IUODEOHRSA-N 2 1 278.827 3.401 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCC3CCCCC3)C[C@@H]12 ZINC000395105045 288005689 /nfs/dbraw/zinc/00/56/89/288005689.db2.gz KPFSTGGUXXRNCQ-ARFHVFGLSA-N 2 1 250.430 3.016 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)s1 ZINC000397281357 288022660 /nfs/dbraw/zinc/02/26/60/288022660.db2.gz APMPDIZUMOMZMD-ZETOZRRWSA-N 2 1 266.454 3.170 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423362051 278251080 /nfs/dbraw/zinc/25/10/80/278251080.db2.gz ASXBIYCXAIOSIV-GDLCADMTSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCC(F)(F)CC1 ZINC000353277922 278282818 /nfs/dbraw/zinc/28/28/18/278282818.db2.gz YJNVBWPLNWTQMA-AEGPPILISA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCC(F)(F)CC1 ZINC000353277922 278282821 /nfs/dbraw/zinc/28/28/21/278282821.db2.gz YJNVBWPLNWTQMA-AEGPPILISA-N 2 1 286.410 3.417 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000340468109 278344205 /nfs/dbraw/zinc/34/42/05/278344205.db2.gz QOQNQBQEJRKSIP-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000174379809 278348338 /nfs/dbraw/zinc/34/83/38/278348338.db2.gz KATOALFFQBPYNB-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353294412 278351412 /nfs/dbraw/zinc/35/14/12/278351412.db2.gz VHEHISBJQDUDGF-OLZOCXBDSA-N 2 1 286.410 3.274 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423279877 278366497 /nfs/dbraw/zinc/36/64/97/278366497.db2.gz RXVADLLAJZCGPB-RNCFNFMXSA-N 2 1 272.314 3.093 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000453107346 288075875 /nfs/dbraw/zinc/07/58/75/288075875.db2.gz IRTUFCMJWOGVLS-JKSUJKDBSA-N 2 1 296.480 3.026 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126195 279119617 /nfs/dbraw/zinc/11/96/17/279119617.db2.gz HDILJNJHIBILFS-PNESKVBLSA-N 2 1 280.378 3.427 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000284583719 279135270 /nfs/dbraw/zinc/13/52/70/279135270.db2.gz ZTBJHVOVAZCSNG-SJLPKXTDSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000284583719 279135271 /nfs/dbraw/zinc/13/52/71/279135271.db2.gz ZTBJHVOVAZCSNG-SJLPKXTDSA-N 2 1 290.451 3.038 20 0 CGADMP C[C@H](C[NH2+]Cc1cscc1C(F)(F)F)C[NH+](C)C ZINC000491588662 279347448 /nfs/dbraw/zinc/34/74/48/279347448.db2.gz KHBITGNDRBNART-SECBINFHSA-N 2 1 280.359 3.054 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCSc2ccccc21)C[NH+](C)C ZINC000293660958 279353294 /nfs/dbraw/zinc/35/32/94/279353294.db2.gz LXKZRNDTCYPEAS-OCCSQVGLSA-N 2 1 264.438 3.011 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)c2ccccc21 ZINC000423114969 279691308 /nfs/dbraw/zinc/69/13/08/279691308.db2.gz WQKOLAFRYQACRD-QWHCGFSZSA-N 2 1 284.325 3.453 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342084658 288155650 /nfs/dbraw/zinc/15/56/50/288155650.db2.gz MGIBGPYKXKTELY-HYEYJGRESA-N 2 1 294.389 3.475 20 0 CGADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CC2 ZINC000423459675 280309119 /nfs/dbraw/zinc/30/91/19/280309119.db2.gz IGEJQFAUVOKBMU-OUJBWJOFSA-N 2 1 297.240 3.070 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351486409 281019506 /nfs/dbraw/zinc/01/95/06/281019506.db2.gz AHHAYJJHPCDPOL-NHJBHEPMSA-N 2 1 280.362 3.085 20 0 CGADMP Cc1ccc2c(c1)CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000361841812 281053154 /nfs/dbraw/zinc/05/31/54/281053154.db2.gz GUAHVUWKTNYMAM-SFHVURJKSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1ccc2c(c1)CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000361841812 281053157 /nfs/dbraw/zinc/05/31/57/281053157.db2.gz GUAHVUWKTNYMAM-SFHVURJKSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000361841812 281053161 /nfs/dbraw/zinc/05/31/61/281053161.db2.gz GUAHVUWKTNYMAM-SFHVURJKSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000361841812 281053162 /nfs/dbraw/zinc/05/31/62/281053162.db2.gz GUAHVUWKTNYMAM-SFHVURJKSA-N 2 1 272.436 3.228 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@H]1c1ccccc1 ZINC000530179337 288296383 /nfs/dbraw/zinc/29/63/83/288296383.db2.gz SYKHLRFKKWWJFE-RKTXRCNFSA-N 2 1 270.420 3.053 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@@H]1c1ccccc1 ZINC000530179336 288296436 /nfs/dbraw/zinc/29/64/36/288296436.db2.gz SYKHLRFKKWWJFE-QMCVQRASSA-N 2 1 270.420 3.053 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530213580 288300915 /nfs/dbraw/zinc/30/09/15/288300915.db2.gz ANYBYDFSCLFDMT-MLGOLLRUSA-N 2 1 294.389 3.160 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccnc3ccccc23)CC1 ZINC000530390474 288303744 /nfs/dbraw/zinc/30/37/44/288303744.db2.gz GEYKTRJOGHGPMX-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP Cc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1C ZINC000373483363 281218457 /nfs/dbraw/zinc/21/84/57/281218457.db2.gz IXZATQUCJZFJRV-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c[nH]c21 ZINC000164416945 281266213 /nfs/dbraw/zinc/26/62/13/281266213.db2.gz YTAYCKQEHLQDHT-HDMKZQKVSA-N 2 1 299.462 3.337 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000347006376 281373016 /nfs/dbraw/zinc/37/30/16/281373016.db2.gz QAOMOXUZOPUMKE-BRWVUGGUSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000531340052 288334646 /nfs/dbraw/zinc/33/46/46/288334646.db2.gz YUOXDTMTGMBXSD-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000531340052 288334647 /nfs/dbraw/zinc/33/46/47/288334647.db2.gz YUOXDTMTGMBXSD-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000178411008 282033130 /nfs/dbraw/zinc/03/31/30/282033130.db2.gz VGSKIWNXUSEUEB-AWEZNQCLSA-N 2 1 293.480 3.295 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCCC1 ZINC000337991183 282046299 /nfs/dbraw/zinc/04/62/99/282046299.db2.gz VBWXZKSIHAVKST-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534236803 288405261 /nfs/dbraw/zinc/40/52/61/288405261.db2.gz AMQFAKBCMYDQGK-INIZCTEOSA-N 2 1 278.827 3.401 20 0 CGADMP CCC1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000551536312 289121035 /nfs/dbraw/zinc/12/10/35/289121035.db2.gz CBXYDJDOSSCJDN-UHFFFAOYSA-N 2 1 272.436 3.429 20 0 CGADMP CC(C)C(C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000551537023 289121254 /nfs/dbraw/zinc/12/12/54/289121254.db2.gz YTUHKOLCETXNTJ-CALCHBBNSA-N 2 1 298.515 3.394 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)o1 ZINC000552040651 289153132 /nfs/dbraw/zinc/15/31/32/289153132.db2.gz HOMLWGDRQHHGEK-UVLCOCDESA-N 2 1 288.435 3.365 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791423 289215858 /nfs/dbraw/zinc/21/58/58/289215858.db2.gz QWIOJNCBCYLEQV-GDAAHCPNSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791423 289215860 /nfs/dbraw/zinc/21/58/60/289215860.db2.gz QWIOJNCBCYLEQV-GDAAHCPNSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376197 289278694 /nfs/dbraw/zinc/27/86/94/289278694.db2.gz IVGCDTFPXBVXHM-UKMLZYKCSA-N 2 1 294.389 3.140 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000554875170 289315947 /nfs/dbraw/zinc/31/59/47/289315947.db2.gz VHGZTHFREHOBLA-HYVNUMGLSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H]2CCC[C@H]21 ZINC000367613548 290216576 /nfs/dbraw/zinc/21/65/76/290216576.db2.gz FZIGWWZLDWEDNA-SOUVJXGZSA-N 2 1 286.410 3.274 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228477090 290233217 /nfs/dbraw/zinc/23/32/17/290233217.db2.gz ANSOGXUAMWMEAC-YHYOWMERSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423365097 297107692 /nfs/dbraw/zinc/10/76/92/297107692.db2.gz CVGOZXQBWJIIFK-BYCMXARLSA-N 2 1 294.826 3.141 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC[NH2+]1 ZINC000423381713 297446355 /nfs/dbraw/zinc/44/63/55/297446355.db2.gz OLXBZYRJSQSEHV-LALPHHSUSA-N 2 1 294.826 3.284 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422710347 302200372 /nfs/dbraw/zinc/20/03/72/302200372.db2.gz LSTVYPDDXNESIA-KBRIMQKVSA-N 2 1 258.409 3.176 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000582528697 329107472 /nfs/dbraw/zinc/10/74/72/329107472.db2.gz KPSIUXGTTCPNIC-ZDUSSCGKSA-N 2 1 266.454 3.143 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000563135032 321979228 /nfs/dbraw/zinc/97/92/28/321979228.db2.gz CBKPRDQALSEBCX-BQBZGAKWSA-N 2 1 267.225 3.270 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCCOc1ccccc1 ZINC000564324035 322027291 /nfs/dbraw/zinc/02/72/91/322027291.db2.gz CLKNRMSFIMMZDK-SJLPKXTDSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCCOc1ccccc1 ZINC000564324035 322027293 /nfs/dbraw/zinc/02/72/93/322027293.db2.gz CLKNRMSFIMMZDK-SJLPKXTDSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCCOc1ccccc1 ZINC000564324035 322027295 /nfs/dbraw/zinc/02/72/95/322027295.db2.gz CLKNRMSFIMMZDK-SJLPKXTDSA-N 2 1 290.451 3.118 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCCOc1ccccc1 ZINC000564324035 322027298 /nfs/dbraw/zinc/02/72/98/322027298.db2.gz CLKNRMSFIMMZDK-SJLPKXTDSA-N 2 1 290.451 3.118 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000564689987 322039128 /nfs/dbraw/zinc/03/91/28/322039128.db2.gz OGOOPUPZTOVLIU-VQHPVUNQSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000564689987 322039131 /nfs/dbraw/zinc/03/91/31/322039131.db2.gz OGOOPUPZTOVLIU-VQHPVUNQSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000564844135 322045733 /nfs/dbraw/zinc/04/57/33/322045733.db2.gz IVWUOWACWNJDDZ-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000565166414 322063796 /nfs/dbraw/zinc/06/37/96/322063796.db2.gz VNMIDIVOYUFEJS-QGZVFWFLSA-N 2 1 273.424 3.175 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000565166414 322063798 /nfs/dbraw/zinc/06/37/98/322063798.db2.gz VNMIDIVOYUFEJS-QGZVFWFLSA-N 2 1 273.424 3.175 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000565166414 322063800 /nfs/dbraw/zinc/06/38/00/322063800.db2.gz VNMIDIVOYUFEJS-QGZVFWFLSA-N 2 1 273.424 3.175 20 0 CGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230451 322110591 /nfs/dbraw/zinc/11/05/91/322110591.db2.gz WQWSUPUNSQXIDZ-HNNXBMFYSA-N 2 1 298.352 3.281 20 0 CGADMP Cc1ccc2ccnc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000567749993 322175905 /nfs/dbraw/zinc/17/59/05/322175905.db2.gz CZBYILLBXFOUCI-AEFFLSMTSA-N 2 1 295.430 3.464 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889826 322182029 /nfs/dbraw/zinc/18/20/29/322182029.db2.gz YSEDEPRSUGVHNF-SJORKVTESA-N 2 1 290.838 3.403 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889826 322182031 /nfs/dbraw/zinc/18/20/31/322182031.db2.gz YSEDEPRSUGVHNF-SJORKVTESA-N 2 1 290.838 3.403 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000568162261 322195316 /nfs/dbraw/zinc/19/53/16/322195316.db2.gz SSWKWEBUWAOPLC-YPMHNXCESA-N 2 1 289.810 3.200 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000568162261 322195318 /nfs/dbraw/zinc/19/53/18/322195318.db2.gz SSWKWEBUWAOPLC-YPMHNXCESA-N 2 1 289.810 3.200 20 0 CGADMP c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000569010391 322231661 /nfs/dbraw/zinc/23/16/61/322231661.db2.gz JZCRORAKWGMAHF-IBGZPJMESA-N 2 1 293.414 3.064 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2ccccc21 ZINC000569592331 322251422 /nfs/dbraw/zinc/25/14/22/322251422.db2.gz ASEWMGODVRAQGX-PKOBYXMFSA-N 2 1 293.414 3.279 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000570694731 322279893 /nfs/dbraw/zinc/27/98/93/322279893.db2.gz MSMMJIKSHQZXQN-UHFFFAOYSA-N 2 1 277.799 3.138 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000570694731 322279894 /nfs/dbraw/zinc/27/98/94/322279894.db2.gz MSMMJIKSHQZXQN-UHFFFAOYSA-N 2 1 277.799 3.138 20 0 CGADMP C[C@]1(C[NH+]2CCC(c3cccc(F)c3F)CC2)CC[NH2+]C1 ZINC000570719356 322280482 /nfs/dbraw/zinc/28/04/82/322280482.db2.gz MNVJHKBZCZHILF-KRWDZBQOSA-N 2 1 294.389 3.144 20 0 CGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CC[NH3+])CC1 ZINC000570851302 322283943 /nfs/dbraw/zinc/28/39/43/322283943.db2.gz GJJFHEITJZUZSO-LBPRGKRZSA-N 2 1 279.428 3.094 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccnc3ccccc23)C1 ZINC000571168921 322291637 /nfs/dbraw/zinc/29/16/37/322291637.db2.gz KQNJZGOGASIPKH-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCCC3)O2)C[C@@H]1C ZINC000572062923 322318398 /nfs/dbraw/zinc/31/83/98/322318398.db2.gz ZOQMPXKCUVVATJ-YESZJQIVSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC3(CCCC3)O2)C[C@@H]1C ZINC000572062923 322318400 /nfs/dbraw/zinc/31/84/00/322318400.db2.gz ZOQMPXKCUVVATJ-YESZJQIVSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC3(CCCC3)O2)C[C@@H]1C ZINC000572062923 322318402 /nfs/dbraw/zinc/31/84/02/322318402.db2.gz ZOQMPXKCUVVATJ-YESZJQIVSA-N 2 1 294.483 3.283 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccsc2Cl)C1 ZINC000572166490 322323135 /nfs/dbraw/zinc/32/31/35/322323135.db2.gz DFZQQOOUUCALIQ-WCQYABFASA-N 2 1 284.856 3.318 20 0 CGADMP CC[N@@H+](CCc1ccncc1C)Cc1occc1C ZINC000572718035 322351479 /nfs/dbraw/zinc/35/14/79/322351479.db2.gz SBPLKYNHEDEOMW-UHFFFAOYSA-N 2 1 258.365 3.356 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000572832938 322356830 /nfs/dbraw/zinc/35/68/30/322356830.db2.gz OMBGHKXKLFGDQX-RHSMWYFYSA-N 2 1 276.424 3.044 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000573077740 322369412 /nfs/dbraw/zinc/36/94/12/322369412.db2.gz YPPAJXVCCCEIBE-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000573108365 322371061 /nfs/dbraw/zinc/37/10/61/322371061.db2.gz XTFGDSXWHJOIKZ-NOZJJQNGSA-N 2 1 258.768 3.113 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604379 322396443 /nfs/dbraw/zinc/39/64/43/322396443.db2.gz BRYUUIVLVYXQMW-FOSCPCJNSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000582126949 327332440 /nfs/dbraw/zinc/33/24/40/327332440.db2.gz ZSKNPJHQPWRRTD-VMXHOPILSA-N 2 1 284.447 3.395 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@H](C)C1 ZINC000174629350 335160999 /nfs/dbraw/zinc/16/09/99/335160999.db2.gz VDVQDNWHMXQEHN-CJNGLKHVSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@H](C)C1 ZINC000174629350 335161000 /nfs/dbraw/zinc/16/10/00/335161000.db2.gz VDVQDNWHMXQEHN-CJNGLKHVSA-N 2 1 272.392 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000577214370 335323961 /nfs/dbraw/zinc/32/39/61/335323961.db2.gz HZPSCDNQQRBGMP-XJKSGUPXSA-N 2 1 276.424 3.180 20 0 CGADMP Clc1c[nH+]ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000176808537 335331321 /nfs/dbraw/zinc/33/13/21/335331321.db2.gz RBNOHSFNZYZFIM-UHFFFAOYSA-N 2 1 279.815 3.047 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000581456590 336080174 /nfs/dbraw/zinc/08/01/74/336080174.db2.gz LRCDEUPJIPUCTA-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000581456590 336080175 /nfs/dbraw/zinc/08/01/75/336080175.db2.gz LRCDEUPJIPUCTA-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000382855199 336097844 /nfs/dbraw/zinc/09/78/44/336097844.db2.gz BZIURYLEUFLWFS-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581720469 336136998 /nfs/dbraw/zinc/13/69/98/336136998.db2.gz ZBYDSSHSLFYERI-HZPDHXFCSA-N 2 1 290.451 3.199 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000385429915 336146218 /nfs/dbraw/zinc/14/62/18/336146218.db2.gz LWUKVXKGOFWEER-GOEBONIOSA-N 2 1 252.446 3.133 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000385851115 336157965 /nfs/dbraw/zinc/15/79/65/336157965.db2.gz PXEVUSFROQOMOO-FJBKBRRZSA-N 2 1 282.497 3.125 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc(C)n1 ZINC000423539001 533720235 /nfs/dbraw/zinc/72/02/35/533720235.db2.gz AQNPDNSHXCVBOL-RTBURBONSA-N 2 1 295.430 3.281 20 0 CGADMP COc1cccc2c(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cccc12 ZINC000449169005 533840393 /nfs/dbraw/zinc/84/03/93/533840393.db2.gz FKKQQMYFAYTNEJ-ZBFHGGJFSA-N 2 1 298.430 3.421 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1N(C)C ZINC000423530576 533994904 /nfs/dbraw/zinc/99/49/04/533994904.db2.gz PTBHHWSEMOFRAT-BLLLJJGKSA-N 2 1 293.430 3.060 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449295917 534259448 /nfs/dbraw/zinc/25/94/48/534259448.db2.gz WBIGBZGXSIAGNM-QFBILLFUSA-N 2 1 298.430 3.322 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2n1 ZINC000368736014 534470156 /nfs/dbraw/zinc/47/01/56/534470156.db2.gz LGHHFPCHTAHELR-QZTJIDSGSA-N 2 1 295.430 3.260 20 0 CGADMP c1cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2o1 ZINC000449083582 534475850 /nfs/dbraw/zinc/47/58/50/534475850.db2.gz UKQZGCLJSHWDRU-CVEARBPZSA-N 2 1 270.376 3.149 20 0 CGADMP c1cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)c2o1 ZINC000449083582 534475857 /nfs/dbraw/zinc/47/58/57/534475857.db2.gz UKQZGCLJSHWDRU-CVEARBPZSA-N 2 1 270.376 3.149 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)s1)CC1CC[NH2+]CC1 ZINC000094011148 521313600 /nfs/dbraw/zinc/31/36/00/521313600.db2.gz FEJSYRMYXIXOSW-UHFFFAOYSA-N 2 1 272.845 3.223 20 0 CGADMP Cc1cnc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000449081089 534555437 /nfs/dbraw/zinc/55/54/37/534555437.db2.gz BQGPRNOBNNGRBJ-OKILXGFUSA-N 2 1 295.496 3.299 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000157493818 521562529 /nfs/dbraw/zinc/56/25/29/521562529.db2.gz WGHFBDGFCYHMHE-UHFFFAOYSA-N 2 1 296.842 3.135 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000157493818 521562536 /nfs/dbraw/zinc/56/25/36/521562536.db2.gz WGHFBDGFCYHMHE-UHFFFAOYSA-N 2 1 296.842 3.135 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000037643708 521710725 /nfs/dbraw/zinc/71/07/25/521710725.db2.gz DBNLRYKVXFWCIJ-STQMWFEESA-N 2 1 252.427 3.049 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000037643978 521710817 /nfs/dbraw/zinc/71/08/17/521710817.db2.gz PFELLGLQWJVJTP-HOTGVXAUSA-N 2 1 290.451 3.466 20 0 CGADMP C[N@@H+](CCCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000339414000 522737075 /nfs/dbraw/zinc/73/70/75/522737075.db2.gz QQPJOGWAAJRDAU-SJPCQFCGSA-N 2 1 288.435 3.060 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000050577057 524973676 /nfs/dbraw/zinc/97/36/76/524973676.db2.gz ZBUYSBAPRUDVIW-UHFFFAOYSA-N 2 1 278.415 3.487 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423331330 534879695 /nfs/dbraw/zinc/87/96/95/534879695.db2.gz PXJPQYCZMWLQRZ-JTQLQIEISA-N 2 1 267.442 3.107 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000156090235 527192433 /nfs/dbraw/zinc/19/24/33/527192433.db2.gz CCQAIEMMULHORA-AWEZNQCLSA-N 2 1 268.351 3.328 20 0 CGADMP C(C[NH+]1CCC[C@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000365475485 527480252 /nfs/dbraw/zinc/48/02/52/527480252.db2.gz BVVKWTMCAINUDM-IRXDYDNUSA-N 2 1 262.441 3.125 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449089882 527815015 /nfs/dbraw/zinc/81/50/15/527815015.db2.gz LPNFQSRINGDNPX-HUUCEWRRSA-N 2 1 286.419 3.295 20 0 CGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000449246244 527859116 /nfs/dbraw/zinc/85/91/16/527859116.db2.gz DAWVPDFLQZOBME-DOTOQJQBSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423324046 528161399 /nfs/dbraw/zinc/16/13/99/528161399.db2.gz JZQVTBVQHDCDNX-CQSZACIVSA-N 2 1 276.424 3.253 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411291375 528178108 /nfs/dbraw/zinc/17/81/08/528178108.db2.gz CIIUYFZKULLRKO-JCGIZDLHSA-N 2 1 290.426 3.345 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411291375 528178116 /nfs/dbraw/zinc/17/81/16/528178116.db2.gz CIIUYFZKULLRKO-JCGIZDLHSA-N 2 1 290.426 3.345 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(C)(C)COC)CC1 ZINC000426050739 528337989 /nfs/dbraw/zinc/33/79/89/528337989.db2.gz QCMRPUINFRVUDB-UHFFFAOYSA-N 2 1 284.488 3.103 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000423255745 528519748 /nfs/dbraw/zinc/51/97/48/528519748.db2.gz AQYKBTBEJFZADO-NXEZZACHSA-N 2 1 260.834 3.426 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367590720 528657036 /nfs/dbraw/zinc/65/70/36/528657036.db2.gz VTBYDAMALSHEMT-KSZLIROESA-N 2 1 288.435 3.048 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423329648 528691366 /nfs/dbraw/zinc/69/13/66/528691366.db2.gz TVQKINZQGZCNGK-GUYCJALGSA-N 2 1 276.424 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000423302241 528823841 /nfs/dbraw/zinc/82/38/41/528823841.db2.gz VBGNPILGTILASC-YPMHNXCESA-N 2 1 268.376 3.002 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423287254 528951092 /nfs/dbraw/zinc/95/10/92/528951092.db2.gz LCSMQILAIGDSAT-NSHDSACASA-N 2 1 277.437 3.464 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000423298417 528957523 /nfs/dbraw/zinc/95/75/23/528957523.db2.gz OJJXQCCRCYFECN-TZMCWYRMSA-N 2 1 264.438 3.331 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000423295775 528957699 /nfs/dbraw/zinc/95/76/99/528957699.db2.gz FPCCJRRGVCDLFO-YESZJQIVSA-N 2 1 260.425 3.430 20 0 CGADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC000356143332 529081321 /nfs/dbraw/zinc/08/13/21/529081321.db2.gz YCWNVTZNXCQWHK-CQSZACIVSA-N 2 1 284.806 3.096 20 0 CGADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC000356143332 529081326 /nfs/dbraw/zinc/08/13/26/529081326.db2.gz YCWNVTZNXCQWHK-CQSZACIVSA-N 2 1 284.806 3.096 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)C1 ZINC000449105197 529085294 /nfs/dbraw/zinc/08/52/94/529085294.db2.gz HMWXQGJILWYUFE-ZJIFWQFVSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423358867 529120800 /nfs/dbraw/zinc/12/08/00/529120800.db2.gz OCHMEVKPROLIME-CJNGLKHVSA-N 2 1 282.378 3.394 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CC1(C)C ZINC000414080822 529157006 /nfs/dbraw/zinc/15/70/06/529157006.db2.gz DMJTYKGORKGSTD-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(C)ccc1OC ZINC000425951456 529172052 /nfs/dbraw/zinc/17/20/52/529172052.db2.gz MTKATLOUBZLNCP-GDBMZVCRSA-N 2 1 278.440 3.242 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423279487 529247527 /nfs/dbraw/zinc/24/75/27/529247527.db2.gz SAUQLMIHYKJHEG-SWLSCSKDSA-N 2 1 266.454 3.433 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449139988 529274348 /nfs/dbraw/zinc/27/43/48/529274348.db2.gz BONUISGQOJTDMR-GOEBONIOSA-N 2 1 264.413 3.065 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449139988 529274352 /nfs/dbraw/zinc/27/43/52/529274352.db2.gz BONUISGQOJTDMR-GOEBONIOSA-N 2 1 264.413 3.065 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000091305984 534957812 /nfs/dbraw/zinc/95/78/12/534957812.db2.gz CBEMGQCTRLMUGO-QAPCUYQASA-N 2 1 272.436 3.459 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649239 535541040 /nfs/dbraw/zinc/54/10/40/535541040.db2.gz FKGJUSWVZBFYAF-HUUCEWRRSA-N 2 1 288.435 3.220 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649239 535541044 /nfs/dbraw/zinc/54/10/44/535541044.db2.gz FKGJUSWVZBFYAF-HUUCEWRRSA-N 2 1 288.435 3.220 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000459727163 536383908 /nfs/dbraw/zinc/38/39/08/536383908.db2.gz HFOAIHKZOHYFIE-MXWWQKGMSA-N 2 1 290.426 3.393 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000459779639 536384779 /nfs/dbraw/zinc/38/47/79/536384779.db2.gz LMMKTSSSRMPONW-FAEJEUNOSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411196 536390176 /nfs/dbraw/zinc/39/01/76/536390176.db2.gz DGGAVEFIFMKWBP-ZWKOTPCHSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411196 536390177 /nfs/dbraw/zinc/39/01/77/536390177.db2.gz DGGAVEFIFMKWBP-ZWKOTPCHSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411196 536390180 /nfs/dbraw/zinc/39/01/80/536390180.db2.gz DGGAVEFIFMKWBP-ZWKOTPCHSA-N 2 1 290.426 3.273 20 0 CGADMP COCC[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000124561673 536777478 /nfs/dbraw/zinc/77/74/78/536777478.db2.gz RVHYTVFKVPBLRR-HZPDHXFCSA-N 2 1 290.451 3.227 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(C)CC2)cn1 ZINC000742368042 572568205 /nfs/dbraw/zinc/56/82/05/572568205.db2.gz YDSPYNNJADCHPK-UHFFFAOYSA-N 2 1 284.407 3.244 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCCCCC2)cn1 ZINC000121172803 618038471 /nfs/dbraw/zinc/03/84/71/618038471.db2.gz AFJBIOLFJOYCJT-UHFFFAOYSA-N 2 1 284.407 3.388 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245114 618081729 /nfs/dbraw/zinc/08/17/29/618081729.db2.gz UVKKNJGAYRBNFC-RISCZKNCSA-N 2 1 252.789 3.072 20 0 CGADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050248541 618083492 /nfs/dbraw/zinc/08/34/92/618083492.db2.gz KKBRXHARGUWCRA-OAHLLOKOSA-N 2 1 274.452 3.382 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CCCOC)CCC2)C[C@H]1C ZINC000892105278 618534846 /nfs/dbraw/zinc/53/48/46/618534846.db2.gz YVRJMSARSDFBMP-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CCCOC)CCC2)C[C@H]1C ZINC000892105278 618534853 /nfs/dbraw/zinc/53/48/53/618534853.db2.gz YVRJMSARSDFBMP-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CCCOC)CCC2)C[C@H]1C ZINC000892105278 618534862 /nfs/dbraw/zinc/53/48/62/618534862.db2.gz YVRJMSARSDFBMP-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP C[N@@H+](Cc1cc(-c2cccs2)on1)C1CCC([NH3+])CC1 ZINC000091846653 618737681 /nfs/dbraw/zinc/73/76/81/618737681.db2.gz AQHWQBGUHXQNIE-UHFFFAOYSA-N 2 1 291.420 3.105 20 0 CGADMP Cc1cc(F)ncc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000892585620 618867686 /nfs/dbraw/zinc/86/76/86/618867686.db2.gz WNKWFRVFSFHJSP-CQSZACIVSA-N 2 1 293.430 3.131 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000925588275 619075845 /nfs/dbraw/zinc/07/58/45/619075845.db2.gz PHQKMJUMQHWKJV-ZIAGYGMSSA-N 2 1 272.864 3.104 20 0 CGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925679223 619128455 /nfs/dbraw/zinc/12/84/55/619128455.db2.gz ZKLURJIEGXUXGI-DJIMGWMZSA-N 2 1 288.410 3.336 20 0 CGADMP C1=C(CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)CCCC1 ZINC000931285809 619137574 /nfs/dbraw/zinc/13/75/74/619137574.db2.gz PUFXFZZDQKUBNV-UHFFFAOYSA-N 2 1 292.467 3.064 20 0 CGADMP C[C@@H]([NH3+])[C@@H](NCC(C)(C)c1cccnc1)c1ccccc1 ZINC000925691841 619140789 /nfs/dbraw/zinc/14/07/89/619140789.db2.gz NERSFFNKRDIJCG-RHSMWYFYSA-N 2 1 283.419 3.037 20 0 CGADMP CN1C[C@]2(C)C[N@H+]([C@@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315043 619142313 /nfs/dbraw/zinc/14/23/13/619142313.db2.gz SOYSWOGLHGCTTC-ZACQAIPSSA-N 2 1 262.441 3.149 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315043 619142315 /nfs/dbraw/zinc/14/23/15/619142315.db2.gz SOYSWOGLHGCTTC-ZACQAIPSSA-N 2 1 262.441 3.149 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315043 619142318 /nfs/dbraw/zinc/14/23/18/619142318.db2.gz SOYSWOGLHGCTTC-ZACQAIPSSA-N 2 1 262.441 3.149 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315043 619142320 /nfs/dbraw/zinc/14/23/20/619142320.db2.gz SOYSWOGLHGCTTC-ZACQAIPSSA-N 2 1 262.441 3.149 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315043 619142322 /nfs/dbraw/zinc/14/23/22/619142322.db2.gz SOYSWOGLHGCTTC-ZACQAIPSSA-N 2 1 262.441 3.149 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1 ZINC000925777439 619240473 /nfs/dbraw/zinc/24/04/73/619240473.db2.gz DOXJEKKUQXZRKS-PWSUYJOCSA-N 2 1 288.769 3.235 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)s1 ZINC000925778543 619241274 /nfs/dbraw/zinc/24/12/74/619241274.db2.gz JUVJPUFGVFBQNL-RKDXNWHRSA-N 2 1 294.798 3.297 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H](C)c1ccc(Cl)cc1 ZINC000925782002 619243616 /nfs/dbraw/zinc/24/36/16/619243616.db2.gz CDXXBVQLDVBLNR-NWJSVONSSA-N 2 1 266.816 3.030 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261938511 619488301 /nfs/dbraw/zinc/48/83/01/619488301.db2.gz DLMBILNEOYKZBZ-UHFFFAOYSA-N 2 1 284.403 3.317 20 0 CGADMP Cc1occc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683510 619872320 /nfs/dbraw/zinc/87/23/20/619872320.db2.gz MQNUFTHJVWDPKZ-UHFFFAOYSA-N 2 1 264.413 3.286 20 0 CGADMP CC(C)n1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000895685055 619872704 /nfs/dbraw/zinc/87/27/04/619872704.db2.gz HWLQNXLODHRYOQ-UHFFFAOYSA-N 2 1 292.471 3.162 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)CC1(C)C ZINC000897473944 620343807 /nfs/dbraw/zinc/34/38/07/620343807.db2.gz IPFRJWUBJLUOSU-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)CC1(C)C ZINC000897772323 620426770 /nfs/dbraw/zinc/42/67/70/620426770.db2.gz RBCSEZKYLIOSTO-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP c1cnc2cccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)c2c1 ZINC000897978644 620461305 /nfs/dbraw/zinc/46/13/05/620461305.db2.gz SFQVNRDUUMDQTG-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706671 620541631 /nfs/dbraw/zinc/54/16/31/620541631.db2.gz BXNVTUJYIYICCA-SWLSCSKDSA-N 2 1 276.415 3.365 20 0 CGADMP CC(C)c1ccc(-c2cc(C[N@H+](C)CCC[NH3+])on2)cc1 ZINC000901390584 620871872 /nfs/dbraw/zinc/87/18/72/620871872.db2.gz ZPWMHXNMAUOBSO-UHFFFAOYSA-N 2 1 287.407 3.246 20 0 CGADMP CC(C)c1ccc(-c2cc(C[N@@H+](C)CCC[NH3+])on2)cc1 ZINC000901390584 620871875 /nfs/dbraw/zinc/87/18/75/620871875.db2.gz ZPWMHXNMAUOBSO-UHFFFAOYSA-N 2 1 287.407 3.246 20 0 CGADMP CNc1ccccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000902038023 621108335 /nfs/dbraw/zinc/10/83/35/621108335.db2.gz WHMYRRZFQXBIFM-OAHLLOKOSA-N 2 1 275.440 3.082 20 0 CGADMP CNc1ccccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000902038023 621108340 /nfs/dbraw/zinc/10/83/40/621108340.db2.gz WHMYRRZFQXBIFM-OAHLLOKOSA-N 2 1 275.440 3.082 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000902408563 621293778 /nfs/dbraw/zinc/29/37/78/621293778.db2.gz ZBDPBTQYTWEPHO-TZMCWYRMSA-N 2 1 264.800 3.057 20 0 CGADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CC1 ZINC000902416265 621308531 /nfs/dbraw/zinc/30/85/31/621308531.db2.gz MLGIJMZDNUADAR-LLVKDONJSA-N 2 1 286.341 3.107 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902477348 621327027 /nfs/dbraw/zinc/32/70/27/621327027.db2.gz SOAJTFSLHTWSNZ-MDMSPXHWSA-N 2 1 270.420 3.114 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cncs1 ZINC000902453049 621331872 /nfs/dbraw/zinc/33/18/72/621331872.db2.gz BULARNLUZOERDL-CFVMTHIKSA-N 2 1 287.432 3.287 20 0 CGADMP Clc1ccccc1C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902460285 621336216 /nfs/dbraw/zinc/33/62/16/621336216.db2.gz GHSIXXRALXVLGS-RKTXRCNFSA-N 2 1 290.838 3.144 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)C2CCOCC2)C1 ZINC000902761640 621429602 /nfs/dbraw/zinc/42/96/02/621429602.db2.gz VTYJBMCAIZKBPQ-AEFFLSMTSA-N 2 1 296.499 3.149 20 0 CGADMP CC[N@H+](CC[NH2+][C@H](CC(C)C)C1CCOCC1)C(C)C ZINC000902787307 621446203 /nfs/dbraw/zinc/44/62/03/621446203.db2.gz ZLWSGXSNTSCZLK-QGZVFWFLSA-N 2 1 284.488 3.148 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H](CC(C)C)C1CCOCC1)C(C)C ZINC000902787307 621446206 /nfs/dbraw/zinc/44/62/06/621446206.db2.gz ZLWSGXSNTSCZLK-QGZVFWFLSA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCOCC1 ZINC000903017250 621519290 /nfs/dbraw/zinc/51/92/90/621519290.db2.gz QOWMAGTXQSGSPB-SFHVURJKSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903123532 621589274 /nfs/dbraw/zinc/58/92/74/621589274.db2.gz CFXCRRBKPKXSMV-VHRNVKJDSA-N 2 1 262.441 3.314 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1(C3CCC3)CC1)C2 ZINC000903193487 621621467 /nfs/dbraw/zinc/62/14/67/621621467.db2.gz FBCKNYYHGJDUSI-VHRNVKJDSA-N 2 1 260.425 3.067 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)s1 ZINC000903210521 621630545 /nfs/dbraw/zinc/63/05/45/621630545.db2.gz ZAKSXHRSPDBPHG-WAEYWBMLSA-N 2 1 291.464 3.260 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000903210521 621630550 /nfs/dbraw/zinc/63/05/50/621630550.db2.gz ZAKSXHRSPDBPHG-WAEYWBMLSA-N 2 1 291.464 3.260 20 0 CGADMP CC1(C)C[C@@]1(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216548 621632098 /nfs/dbraw/zinc/63/20/98/621632098.db2.gz DCFXPXYUALIQGF-WNLZPSQYSA-N 2 1 262.441 3.170 20 0 CGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC(F)F ZINC000903216993 621632362 /nfs/dbraw/zinc/63/23/62/621632362.db2.gz MQUQXEVLHOOHMA-QXMXGUDHSA-N 2 1 286.410 3.415 20 0 CGADMP C[C@@H](COCC1CCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000903355676 621713200 /nfs/dbraw/zinc/71/32/00/621713200.db2.gz ZBCJSYWFXQJDOS-HNNXBMFYSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381896 621723852 /nfs/dbraw/zinc/72/38/52/621723852.db2.gz AYLKORRNPGIMPS-RDJZCZTQSA-N 2 1 277.456 3.489 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903383710 621724997 /nfs/dbraw/zinc/72/49/97/621724997.db2.gz NXCULCPWQYIQLD-ZBFHGGJFSA-N 2 1 263.429 3.099 20 0 CGADMP CC1(C)C(C)(C)C1(C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000903441640 621741731 /nfs/dbraw/zinc/74/17/31/621741731.db2.gz BICZDMOJQVOUOB-HNNXBMFYSA-N 2 1 294.483 3.044 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2[nH]1 ZINC000903445528 621757483 /nfs/dbraw/zinc/75/74/83/621757483.db2.gz LDCVLSXTLPSNQE-SJORKVTESA-N 2 1 283.419 3.132 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903454108 621761756 /nfs/dbraw/zinc/76/17/56/621761756.db2.gz UTGDAESCTIFGKA-KGLIPLIRSA-N 2 1 274.399 3.133 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2[nH]1 ZINC000903454362 621761867 /nfs/dbraw/zinc/76/18/67/621761867.db2.gz YZAHINJGRVQOPL-MSOLQXFVSA-N 2 1 297.446 3.380 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903476341 621763444 /nfs/dbraw/zinc/76/34/44/621763444.db2.gz URNBZPIOUHPYSZ-GOSISDBHSA-N 2 1 285.435 3.365 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000903481945 621764681 /nfs/dbraw/zinc/76/46/81/621764681.db2.gz RLFCGGQQWIEIOE-FSDCSDTHSA-N 2 1 258.409 3.197 20 0 CGADMP CCC[N@@H+](Cc1ccccc1CF)C1CC[NH2+]CC1 ZINC000903741736 621801557 /nfs/dbraw/zinc/80/15/57/621801557.db2.gz SHSPROKIEPAGEJ-UHFFFAOYSA-N 2 1 264.388 3.120 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765039 621803326 /nfs/dbraw/zinc/80/33/26/621803326.db2.gz XAPOQOJQFXGEDI-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])CC(F)F ZINC000903889278 621823232 /nfs/dbraw/zinc/82/32/32/621823232.db2.gz QFTMSEXENKNJTL-CYBMUJFWSA-N 2 1 288.357 3.409 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])CC(F)F ZINC000903889278 621823233 /nfs/dbraw/zinc/82/32/33/621823233.db2.gz QFTMSEXENKNJTL-CYBMUJFWSA-N 2 1 288.357 3.409 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000903888558 621823258 /nfs/dbraw/zinc/82/32/58/621823258.db2.gz GAYKBADPENYDDJ-KGLIPLIRSA-N 2 1 274.399 3.404 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903899236 621829710 /nfs/dbraw/zinc/82/97/10/621829710.db2.gz RFPPZFQNJCTUNR-STQMWFEESA-N 2 1 262.388 3.260 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903899236 621829712 /nfs/dbraw/zinc/82/97/12/621829712.db2.gz RFPPZFQNJCTUNR-STQMWFEESA-N 2 1 262.388 3.260 20 0 CGADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)c1cccc(O)c1 ZINC000903904663 621831637 /nfs/dbraw/zinc/83/16/37/621831637.db2.gz XZQXVTKBFWCPFP-YTTRVJOFSA-N 2 1 288.435 3.306 20 0 CGADMP CSc1ccccc1C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903910877 621832297 /nfs/dbraw/zinc/83/22/97/621832297.db2.gz SIJBEPZYDUIKMB-VHRNVKJDSA-N 2 1 290.476 3.371 20 0 CGADMP CC(C)(C)[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccc(F)cc1 ZINC000903920235 621833482 /nfs/dbraw/zinc/83/34/82/621833482.db2.gz HIBHCYLXXOIHBT-TZMCWYRMSA-N 2 1 288.357 3.485 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299822 621901431 /nfs/dbraw/zinc/90/14/31/621901431.db2.gz PDMDICFKTFKFRS-JQWIXIFHSA-N 2 1 286.341 3.323 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299822 621901436 /nfs/dbraw/zinc/90/14/36/621901436.db2.gz PDMDICFKTFKFRS-JQWIXIFHSA-N 2 1 286.341 3.323 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)F)c(F)c3)C[C@@H]21 ZINC000904302356 621902093 /nfs/dbraw/zinc/90/20/93/621902093.db2.gz VBILGTHPLRCYFK-CORIIIEPSA-N 2 1 298.352 3.323 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)F)c(F)c3)C[C@H]21 ZINC000904302358 621902344 /nfs/dbraw/zinc/90/23/44/621902344.db2.gz VBILGTHPLRCYFK-NJZAAPMLSA-N 2 1 298.352 3.323 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904327185 621908001 /nfs/dbraw/zinc/90/80/01/621908001.db2.gz ZWSJTOASJDYXMK-GOSISDBHSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904327185 621908004 /nfs/dbraw/zinc/90/80/04/621908004.db2.gz ZWSJTOASJDYXMK-GOSISDBHSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000904342222 621909192 /nfs/dbraw/zinc/90/91/92/621909192.db2.gz ZULRIRNOMKPEQQ-IRXDYDNUSA-N 2 1 289.467 3.100 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000904342222 621909199 /nfs/dbraw/zinc/90/91/99/621909199.db2.gz ZULRIRNOMKPEQQ-IRXDYDNUSA-N 2 1 289.467 3.100 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000904342659 621909511 /nfs/dbraw/zinc/90/95/11/621909511.db2.gz MMEYLAZOZAYYET-CORIIIEPSA-N 2 1 298.352 3.232 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000904346602 621910074 /nfs/dbraw/zinc/91/00/74/621910074.db2.gz VZUOPHVQXHVXBY-PVXIVEMSSA-N 2 1 280.362 3.229 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000904406664 621918427 /nfs/dbraw/zinc/91/84/27/621918427.db2.gz UDCPTIQCJQPKDG-CQSZACIVSA-N 2 1 299.393 3.058 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410842 621919357 /nfs/dbraw/zinc/91/93/57/621919357.db2.gz IZDIRTZNDLWNCV-JSGCOSHPSA-N 2 1 272.392 3.158 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420956 621921673 /nfs/dbraw/zinc/92/16/73/621921673.db2.gz ZQFRQPWPMBTAHK-QWHCGFSZSA-N 2 1 278.465 3.087 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420139 621922116 /nfs/dbraw/zinc/92/21/16/621922116.db2.gz CZOMKVATYLVKSJ-NBMJBFSESA-N 2 1 284.447 3.038 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cncc2ccccc21 ZINC000165086735 622855348 /nfs/dbraw/zinc/85/53/48/622855348.db2.gz BZRBDKHHFWBHHE-KRWDZBQOSA-N 2 1 271.408 3.040 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000224410622 622876638 /nfs/dbraw/zinc/87/66/38/622876638.db2.gz JMRNEPXSTYVFMR-CQSZACIVSA-N 2 1 266.404 3.078 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000224410622 622876645 /nfs/dbraw/zinc/87/66/45/622876645.db2.gz JMRNEPXSTYVFMR-CQSZACIVSA-N 2 1 266.404 3.078 20 0 CGADMP Clc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000062051995 623194437 /nfs/dbraw/zinc/19/44/37/623194437.db2.gz RXWVEUXKGIJSLT-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000088204340 623418657 /nfs/dbraw/zinc/41/86/57/623418657.db2.gz KLAJVTLXHBWDKW-OAHLLOKOSA-N 2 1 278.440 3.077 20 0 CGADMP C[N@@H+](Cc1ccsc1Cl)C1CCC([NH3+])CC1 ZINC000312583340 623540257 /nfs/dbraw/zinc/54/02/57/623540257.db2.gz YSXKAZCBYZKPEX-UHFFFAOYSA-N 2 1 258.818 3.103 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000252440187 624881561 /nfs/dbraw/zinc/88/15/61/624881561.db2.gz YBUGVETWZCQUIQ-QBPKDAKJSA-N 2 1 264.457 3.277 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000921685441 625832351 /nfs/dbraw/zinc/83/23/51/625832351.db2.gz HZSCHXHSCCNFNM-NWANDNLSSA-N 2 1 281.469 3.091 20 0 CGADMP CC[N@@H+](CCC[NH2+]C1CC1)[C@@H](C)c1cccc(OC)c1 ZINC000923305510 626144875 /nfs/dbraw/zinc/14/48/75/626144875.db2.gz CLMXBMRTOURTBO-AWEZNQCLSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H](c1cccc(O)c1)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923312963 626144973 /nfs/dbraw/zinc/14/49/73/626144973.db2.gz OJEZRAPOEIBSHE-ZBSSRIJBSA-N 2 1 288.435 3.306 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccs1 ZINC000923372353 626149324 /nfs/dbraw/zinc/14/93/24/626149324.db2.gz GAKQPEMEXDLOPH-AVOUXACISA-N 2 1 293.480 3.099 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000923483399 626157086 /nfs/dbraw/zinc/15/70/86/626157086.db2.gz NZZLXIVZBXGBTD-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000923491809 626157657 /nfs/dbraw/zinc/15/76/57/626157657.db2.gz MTSHPPRLNZYDFQ-MRXNPFEDSA-N 2 1 282.431 3.443 20 0 CGADMP CC(C)CCc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923502373 626158354 /nfs/dbraw/zinc/15/83/54/626158354.db2.gz WPYXQISFURZGPI-ZIAGYGMSSA-N 2 1 295.496 3.148 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498881 626158459 /nfs/dbraw/zinc/15/84/59/626158459.db2.gz QNOZMFHGQBIGDV-XNRPHZJLSA-N 2 1 264.388 3.194 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497677 626158709 /nfs/dbraw/zinc/15/87/09/626158709.db2.gz IVWOSUHOQGDPBL-CZUORRHYSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923501744 626159269 /nfs/dbraw/zinc/15/92/69/626159269.db2.gz UXTXZDLTVBRMKV-YPMHNXCESA-N 2 1 286.341 3.122 20 0 CGADMP [NH3+]CCCCCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000923555180 626163564 /nfs/dbraw/zinc/16/35/64/626163564.db2.gz QKOWCYYNWHYYGD-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000754785661 626587113 /nfs/dbraw/zinc/58/71/13/626587113.db2.gz MZMSPPJEWUNJPE-XOKHGSTOSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000764967656 627234552 /nfs/dbraw/zinc/23/45/52/627234552.db2.gz WYCPPOJDPWMRIH-MGPQQGTHSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000764967656 627234553 /nfs/dbraw/zinc/23/45/53/627234553.db2.gz WYCPPOJDPWMRIH-MGPQQGTHSA-N 2 1 270.486 3.123 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CSC(C)(C)C ZINC000765140744 627241328 /nfs/dbraw/zinc/24/13/28/627241328.db2.gz CBKWWDRJWOZYST-GFCCVEGCSA-N 2 1 269.458 3.091 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccnc(Cl)c1 ZINC000765428252 627249080 /nfs/dbraw/zinc/24/90/80/627249080.db2.gz RCZHLJRZSUZTHM-LBPRGKRZSA-N 2 1 293.842 3.403 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(OC)ccc32)C1 ZINC000765518104 627256187 /nfs/dbraw/zinc/25/61/87/627256187.db2.gz XIWLTNSJKRPLNL-CQSZACIVSA-N 2 1 299.418 3.021 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000765758588 627269012 /nfs/dbraw/zinc/26/90/12/627269012.db2.gz NLYMXJDPZAYKCH-KSSFIOAISA-N 2 1 283.419 3.413 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000768677045 627492383 /nfs/dbraw/zinc/49/23/83/627492383.db2.gz HZQMPOLLJJCYGI-RUXDESIVSA-N 2 1 274.399 3.130 20 0 CGADMP C[N@H+](Cc1cnc2ccccc2c1)CC1CC[NH+](C)CC1 ZINC000769331603 627542271 /nfs/dbraw/zinc/54/22/71/627542271.db2.gz SYIISBDDZQVWNL-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cncc3ccccc32)CC[N@@H+]1C ZINC000769484050 627559039 /nfs/dbraw/zinc/55/90/39/627559039.db2.gz BTUAIKZIGLYKRH-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cncc3ccccc32)CC[N@H+]1C ZINC000769484050 627559041 /nfs/dbraw/zinc/55/90/41/627559041.db2.gz BTUAIKZIGLYKRH-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cncc3ccccc32)CC[NH+]1C ZINC000769484050 627559044 /nfs/dbraw/zinc/55/90/44/627559044.db2.gz BTUAIKZIGLYKRH-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cncc3ccccc32)CC[NH+]1C ZINC000769484050 627559046 /nfs/dbraw/zinc/55/90/46/627559046.db2.gz BTUAIKZIGLYKRH-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP CC[C@@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000775397870 628090317 /nfs/dbraw/zinc/09/03/17/628090317.db2.gz YDCNFQWEYMCKDM-DLBZAZTESA-N 2 1 260.425 3.386 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622069 628115315 /nfs/dbraw/zinc/11/53/15/628115315.db2.gz PHYJCEDERZHXBE-KBPBESRZSA-N 2 1 271.408 3.160 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000780291870 628478610 /nfs/dbraw/zinc/47/86/10/628478610.db2.gz BVZNRCKXFPNDRS-DJIMGWMZSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCc3ccccc32)CC[N@H+]1C ZINC000780291870 628478611 /nfs/dbraw/zinc/47/86/11/628478611.db2.gz BVZNRCKXFPNDRS-DJIMGWMZSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCc3ccccc32)CC[NH+]1C ZINC000780291870 628478612 /nfs/dbraw/zinc/47/86/12/628478612.db2.gz BVZNRCKXFPNDRS-DJIMGWMZSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCc3ccccc32)CC[NH+]1C ZINC000780291870 628478613 /nfs/dbraw/zinc/47/86/13/628478613.db2.gz BVZNRCKXFPNDRS-DJIMGWMZSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]([NH2+]Cc1ccoc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781415600 628558798 /nfs/dbraw/zinc/55/87/98/628558798.db2.gz BZSXZPCGUREBIU-HIFRSBDPSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@@H]([NH2+]Cc1ccoc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781415600 628558799 /nfs/dbraw/zinc/55/87/99/628558799.db2.gz BZSXZPCGUREBIU-HIFRSBDPSA-N 2 1 262.397 3.022 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183228 628621109 /nfs/dbraw/zinc/62/11/09/628621109.db2.gz IXJRZGBWUHYNLG-SFHVURJKSA-N 2 1 274.452 3.281 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000783220210 628688939 /nfs/dbraw/zinc/68/89/39/628688939.db2.gz ARAHZOZILLVCFF-OWCLPIDISA-N 2 1 252.446 3.131 20 0 CGADMP Cc1nc(F)ccc1CNCCC[N@H+](C)C1CCCCC1 ZINC000785416692 628860670 /nfs/dbraw/zinc/86/06/70/628860670.db2.gz HTDBXMRGHHLLMY-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1nc(F)ccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000785416692 628860673 /nfs/dbraw/zinc/86/06/73/628860673.db2.gz HTDBXMRGHHLLMY-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1nc(F)ccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000785416692 628860674 /nfs/dbraw/zinc/86/06/74/628860674.db2.gz HTDBXMRGHHLLMY-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@]1(C)CCCS1 ZINC000862247723 629330537 /nfs/dbraw/zinc/33/05/37/629330537.db2.gz BIOGLSSVQBSMLZ-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@]1(C)CCCS1 ZINC000862247723 629330540 /nfs/dbraw/zinc/33/05/40/629330540.db2.gz BIOGLSSVQBSMLZ-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@]1(C)CCCS1 ZINC000862247723 629330541 /nfs/dbraw/zinc/33/05/41/629330541.db2.gz BIOGLSSVQBSMLZ-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@]3(C)CCCS3)C2)CC1 ZINC000862353263 629347364 /nfs/dbraw/zinc/34/73/64/629347364.db2.gz YNKLQNMUTUYMIH-HNNXBMFYSA-N 2 1 282.497 3.080 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000793240099 629434755 /nfs/dbraw/zinc/43/47/55/629434755.db2.gz SCBULJTVTYLSBP-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)CCCc1cccc2ccccc21 ZINC000863570263 629606787 /nfs/dbraw/zinc/60/67/87/629606787.db2.gz UINXZVQKIIMQQM-AWEZNQCLSA-N 2 1 256.393 3.051 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1cccc2ccccc21 ZINC000863570263 629606795 /nfs/dbraw/zinc/60/67/95/629606795.db2.gz UINXZVQKIIMQQM-AWEZNQCLSA-N 2 1 256.393 3.051 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119681886 629689618 /nfs/dbraw/zinc/68/96/18/629689618.db2.gz HXPUAOOVDNLHSA-GFCCVEGCSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000795832226 629719194 /nfs/dbraw/zinc/71/91/94/629719194.db2.gz SVZUSAQPQGIQQB-BQRFXZSASA-N 2 1 264.457 3.274 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796832063 629843907 /nfs/dbraw/zinc/84/39/07/629843907.db2.gz LTDCHKGEJJMERX-KBAYOESNSA-N 2 1 272.436 3.266 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc(Cl)n1 ZINC000797595563 629967272 /nfs/dbraw/zinc/96/72/72/629967272.db2.gz WNFXJGJEPIHXQY-UHFFFAOYSA-N 2 1 295.858 3.253 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)CC1 ZINC000798957249 630128392 /nfs/dbraw/zinc/12/83/92/630128392.db2.gz PDMPTGKGYDOVFK-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957053 630128502 /nfs/dbraw/zinc/12/85/02/630128502.db2.gz KEMZKOHRZUKDFO-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933203 630370120 /nfs/dbraw/zinc/37/01/20/630370120.db2.gz KSGBEOKFHSGCSL-UONOGXRCSA-N 2 1 272.502 3.180 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933203 630370124 /nfs/dbraw/zinc/37/01/24/630370124.db2.gz KSGBEOKFHSGCSL-UONOGXRCSA-N 2 1 272.502 3.180 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933203 630370125 /nfs/dbraw/zinc/37/01/25/630370125.db2.gz KSGBEOKFHSGCSL-UONOGXRCSA-N 2 1 272.502 3.180 20 0 CGADMP COc1ccc2c(N[C@@H](C)C[N@@H+](C)C(C)C)cc[nH+]c2c1 ZINC000811848462 631127133 /nfs/dbraw/zinc/12/71/33/631127133.db2.gz FWMJNGRLQWVDCD-ZDUSSCGKSA-N 2 1 287.407 3.384 20 0 CGADMP CCCCCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817286662 632115557 /nfs/dbraw/zinc/11/55/57/632115557.db2.gz XGFGGXPVHUIAMT-UHFFFAOYSA-N 2 1 295.515 3.059 20 0 CGADMP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)[C@H]1CCCCN1 ZINC000817914122 632234792 /nfs/dbraw/zinc/23/47/92/632234792.db2.gz QYNJCMFNWIEVIZ-QZTJIDSGSA-N 2 1 295.515 3.153 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000817963507 632259147 /nfs/dbraw/zinc/25/91/47/632259147.db2.gz SOSUYSFMPBWGFH-XJKSGUPXSA-N 2 1 294.439 3.010 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(SC(F)F)cc1 ZINC000817965147 632260388 /nfs/dbraw/zinc/26/03/88/632260388.db2.gz MRGTWEGRMICIRL-TVQRCGJNSA-N 2 1 286.391 3.389 20 0 CGADMP C([NH2+]C[C@H]1CCSC1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865804790 632894932 /nfs/dbraw/zinc/89/49/32/632894932.db2.gz HXPPVTOCUPIVCL-ZBFHGGJFSA-N 2 1 282.497 3.126 20 0 CGADMP C([NH2+]C[C@H]1CCSC1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000865804790 632894939 /nfs/dbraw/zinc/89/49/39/632894939.db2.gz HXPPVTOCUPIVCL-ZBFHGGJFSA-N 2 1 282.497 3.126 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)CCc1cccnc1)[NH+]1CCCC1 ZINC000866226526 633035038 /nfs/dbraw/zinc/03/50/38/633035038.db2.gz LYHOLVOMBCEMIB-WMZOPIPTSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866250332 633045433 /nfs/dbraw/zinc/04/54/33/633045433.db2.gz YNELVDOMUWAVMQ-QWRGUYRKSA-N 2 1 295.814 3.472 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)[C@H]2CCC[C@@H]21 ZINC000866544645 633186675 /nfs/dbraw/zinc/18/66/75/633186675.db2.gz XYAPFTXXCMZYLQ-AGIUHOORSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000866585662 633203128 /nfs/dbraw/zinc/20/31/28/633203128.db2.gz ZSUXUYWFWMYIKO-USXIJHARSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866585662 633203132 /nfs/dbraw/zinc/20/31/32/633203132.db2.gz ZSUXUYWFWMYIKO-USXIJHARSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866585662 633203138 /nfs/dbraw/zinc/20/31/38/633203138.db2.gz ZSUXUYWFWMYIKO-USXIJHARSA-N 2 1 258.409 3.082 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@]1(C)CC1(Cl)Cl ZINC000827899105 633531944 /nfs/dbraw/zinc/53/19/44/633531944.db2.gz AJAPZUKOQHSIJT-QWHCGFSZSA-N 2 1 293.282 3.377 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@]1(C)CC1(Cl)Cl ZINC000827899105 633531946 /nfs/dbraw/zinc/53/19/46/633531946.db2.gz AJAPZUKOQHSIJT-QWHCGFSZSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@]1(C)CC1(Cl)Cl ZINC000827899105 633531947 /nfs/dbraw/zinc/53/19/47/633531947.db2.gz AJAPZUKOQHSIJT-QWHCGFSZSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@]1(C)CC1(Cl)Cl ZINC000827899105 633531949 /nfs/dbraw/zinc/53/19/49/633531949.db2.gz AJAPZUKOQHSIJT-QWHCGFSZSA-N 2 1 293.282 3.377 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])[C@H]2CCCC[C@@H]12 ZINC000846217788 636161404 /nfs/dbraw/zinc/16/14/04/636161404.db2.gz BMSZSNIQQLBXRW-PMPSAXMXSA-N 2 1 252.446 3.406 20 0 CGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)[nH]n1 ZINC000872146726 634065937 /nfs/dbraw/zinc/06/59/37/634065937.db2.gz WAVXDNOVYQCQBC-HNNXBMFYSA-N 2 1 292.471 3.232 20 0 CGADMP CC(C)c1cc([C@H]2CCC[N@H+](CCCCCC[NH3+])C2)n[nH]1 ZINC000872146726 634065943 /nfs/dbraw/zinc/06/59/43/634065943.db2.gz WAVXDNOVYQCQBC-HNNXBMFYSA-N 2 1 292.471 3.232 20 0 CGADMP CC(C)c1cc([C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n[nH]1 ZINC000872146726 634065949 /nfs/dbraw/zinc/06/59/49/634065949.db2.gz WAVXDNOVYQCQBC-HNNXBMFYSA-N 2 1 292.471 3.232 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C/C=C/Cl)C1)C1CCCC1 ZINC000872156452 634068135 /nfs/dbraw/zinc/06/81/35/634068135.db2.gz JXUKUDJOGHGFCF-DJRXTCLHSA-N 2 1 270.848 3.359 20 0 CGADMP Cc1cc[nH+]c(N2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000872663693 634184226 /nfs/dbraw/zinc/18/42/26/634184226.db2.gz FRMKKOMVMHZQGR-UHFFFAOYSA-N 2 1 273.424 3.235 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1)C1CCCC1 ZINC000873232137 634293762 /nfs/dbraw/zinc/29/37/62/634293762.db2.gz LDOOKYXPTSTTIR-XYJFISCASA-N 2 1 294.483 3.033 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000835063131 634342698 /nfs/dbraw/zinc/34/26/98/634342698.db2.gz VBFJTXSYSSLKFS-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cc(Cl)n1 ZINC000835062985 634343367 /nfs/dbraw/zinc/34/33/67/634343367.db2.gz HFYCYUONMJMCNW-UHFFFAOYSA-N 2 1 281.831 3.007 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876933117 634931293 /nfs/dbraw/zinc/93/12/93/634931293.db2.gz FVWUVSDTGBJWQM-CHWSQXEVSA-N 2 1 293.282 3.424 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000877010851 634949791 /nfs/dbraw/zinc/94/97/91/634949791.db2.gz NBPRJQCBQKUXMI-SJLPKXTDSA-N 2 1 270.420 3.497 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877010851 634949793 /nfs/dbraw/zinc/94/97/93/634949793.db2.gz NBPRJQCBQKUXMI-SJLPKXTDSA-N 2 1 270.420 3.497 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000877010852 634949906 /nfs/dbraw/zinc/94/99/06/634949906.db2.gz NBPRJQCBQKUXMI-WMZOPIPTSA-N 2 1 270.420 3.497 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877010852 634949910 /nfs/dbraw/zinc/94/99/10/634949910.db2.gz NBPRJQCBQKUXMI-WMZOPIPTSA-N 2 1 270.420 3.497 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000877010849 634950233 /nfs/dbraw/zinc/95/02/33/634950233.db2.gz NBPRJQCBQKUXMI-AEFFLSMTSA-N 2 1 270.420 3.497 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877010849 634950242 /nfs/dbraw/zinc/95/02/42/634950242.db2.gz NBPRJQCBQKUXMI-AEFFLSMTSA-N 2 1 270.420 3.497 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877020528 634952301 /nfs/dbraw/zinc/95/23/01/634952301.db2.gz WQYHZGHFRYZSNN-ZDUSSCGKSA-N 2 1 295.858 3.132 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877020528 634952304 /nfs/dbraw/zinc/95/23/04/634952304.db2.gz WQYHZGHFRYZSNN-ZDUSSCGKSA-N 2 1 295.858 3.132 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877142323 635000282 /nfs/dbraw/zinc/00/02/82/635000282.db2.gz NRSPCVVLSJCPHP-UHFFFAOYSA-N 2 1 295.814 3.303 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccnc(Cl)c1 ZINC000840807805 635055917 /nfs/dbraw/zinc/05/59/17/635055917.db2.gz GJTWXUXQRKNYHJ-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000877539936 635079795 /nfs/dbraw/zinc/07/97/95/635079795.db2.gz QQLNCDVNPOUQEX-BIENJYKASA-N 2 1 292.404 3.028 20 0 CGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000877539936 635079799 /nfs/dbraw/zinc/07/97/99/635079799.db2.gz QQLNCDVNPOUQEX-BIENJYKASA-N 2 1 292.404 3.028 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000877673240 635140855 /nfs/dbraw/zinc/14/08/55/635140855.db2.gz CVTXIIASUBFYAG-MRXNPFEDSA-N 2 1 278.440 3.020 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877744452 635180202 /nfs/dbraw/zinc/18/02/02/635180202.db2.gz TYSRXFHENUZPJK-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000877744452 635180203 /nfs/dbraw/zinc/18/02/03/635180203.db2.gz TYSRXFHENUZPJK-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000877744452 635180204 /nfs/dbraw/zinc/18/02/04/635180204.db2.gz TYSRXFHENUZPJK-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP CC(C)C[N@H+](Cc1cccc(O)c1)CC1CC[NH+](C)CC1 ZINC000877767180 635192930 /nfs/dbraw/zinc/19/29/30/635192930.db2.gz BHBCBNPICOPXQG-UHFFFAOYSA-N 2 1 290.451 3.192 20 0 CGADMP Cc1cnc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000877767452 635193368 /nfs/dbraw/zinc/19/33/68/635193368.db2.gz JZSMAGSTNIAIGO-UHFFFAOYSA-N 2 1 295.496 3.251 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1F ZINC000842472762 635377679 /nfs/dbraw/zinc/37/76/79/635377679.db2.gz KDZGNCBDKGLEOK-LRDDRELGSA-N 2 1 280.362 3.101 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159812 635385610 /nfs/dbraw/zinc/38/56/10/635385610.db2.gz WSRCBKZVIQUCPM-CVEARBPZSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159812 635385613 /nfs/dbraw/zinc/38/56/13/635385613.db2.gz WSRCBKZVIQUCPM-CVEARBPZSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159812 635385618 /nfs/dbraw/zinc/38/56/18/635385618.db2.gz WSRCBKZVIQUCPM-CVEARBPZSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1nc2ccc(C[N@H+](C)C3CCC([NH3+])CC3)cc2s1 ZINC000843055085 635551083 /nfs/dbraw/zinc/55/10/83/635551083.db2.gz PYCREVIMYMRBEZ-UHFFFAOYSA-N 2 1 289.448 3.306 20 0 CGADMP C[N@@H+](CCCCOc1ccccc1)C1CCC([NH3+])CC1 ZINC000843055135 635551865 /nfs/dbraw/zinc/55/18/65/635551865.db2.gz SQZWYRGTIAYGKM-UHFFFAOYSA-N 2 1 276.424 3.047 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000878653184 635592060 /nfs/dbraw/zinc/59/20/60/635592060.db2.gz ZYYZTQRAROPODP-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000878653184 635592064 /nfs/dbraw/zinc/59/20/64/635592064.db2.gz ZYYZTQRAROPODP-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000878653184 635592069 /nfs/dbraw/zinc/59/20/69/635592069.db2.gz ZYYZTQRAROPODP-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](CCc2cccs2)CC1 ZINC000879201191 635723582 /nfs/dbraw/zinc/72/35/82/635723582.db2.gz ASBKOPQLUFVGMP-UHFFFAOYSA-N 2 1 278.465 3.241 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCc3ccccc3)CC[C@H]21 ZINC000879580694 635815631 /nfs/dbraw/zinc/81/56/31/635815631.db2.gz JICGPGYJPYWDEL-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCCCc3ccccc3)CC[C@H]21 ZINC000879580694 635815635 /nfs/dbraw/zinc/81/56/35/635815635.db2.gz JICGPGYJPYWDEL-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000879580694 635815640 /nfs/dbraw/zinc/81/56/40/635815640.db2.gz JICGPGYJPYWDEL-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000879580694 635815643 /nfs/dbraw/zinc/81/56/43/635815643.db2.gz JICGPGYJPYWDEL-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000879749338 635852512 /nfs/dbraw/zinc/85/25/12/635852512.db2.gz HAJLNXJOOXFTCA-SFHVURJKSA-N 2 1 287.451 3.403 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000879749338 635852519 /nfs/dbraw/zinc/85/25/19/635852519.db2.gz HAJLNXJOOXFTCA-SFHVURJKSA-N 2 1 287.451 3.403 20 0 CGADMP CC1CCC(C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880203586 635936661 /nfs/dbraw/zinc/93/66/61/635936661.db2.gz DJTLZYVSGHWEDE-LEOMRAHMSA-N 2 1 294.483 3.046 20 0 CGADMP CC1CCC(C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880203586 635936664 /nfs/dbraw/zinc/93/66/64/635936664.db2.gz DJTLZYVSGHWEDE-LEOMRAHMSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CCCCO2)CC1 ZINC000880456386 636002856 /nfs/dbraw/zinc/00/28/56/636002856.db2.gz LCMGOFLGFGFMPV-UHFFFAOYSA-N 2 1 291.439 3.007 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc(Cl)n1 ZINC000880517365 636013452 /nfs/dbraw/zinc/01/34/52/636013452.db2.gz PCFNADCRXRCBKC-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCC2(CCC2)O1 ZINC000880517892 636013563 /nfs/dbraw/zinc/01/35/63/636013563.db2.gz YNTNMHDGGKHPSS-KRWDZBQOSA-N 2 1 294.483 3.286 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539331 636017539 /nfs/dbraw/zinc/01/75/39/636017539.db2.gz VMHCPMWRSQMZTB-MPGHIAIKSA-N 2 1 270.420 3.405 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539331 636017545 /nfs/dbraw/zinc/01/75/45/636017545.db2.gz VMHCPMWRSQMZTB-MPGHIAIKSA-N 2 1 270.420 3.405 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539331 636017547 /nfs/dbraw/zinc/01/75/47/636017547.db2.gz VMHCPMWRSQMZTB-MPGHIAIKSA-N 2 1 270.420 3.405 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCc2ccc(F)cc21 ZINC000846229847 636164406 /nfs/dbraw/zinc/16/44/06/636164406.db2.gz YTGINAMHOSQKML-CQSZACIVSA-N 2 1 278.415 3.306 20 0 CGADMP C[NH+]1CCC([NH2+]C(C2CCCC2)C2CCCC2)CC1 ZINC000129863144 636390180 /nfs/dbraw/zinc/39/01/80/636390180.db2.gz XYWLTNGCBDRFGM-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@H]2CCC[C@@H]21 ZINC000883260127 636631277 /nfs/dbraw/zinc/63/12/77/636631277.db2.gz KVJZIFGTXOZPQN-AGIUHOORSA-N 2 1 274.399 3.130 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@@H]2CCC[C@H]21 ZINC000883274591 636647337 /nfs/dbraw/zinc/64/73/37/636647337.db2.gz PDWVKZQRIJPAKJ-ZQDZILKHSA-N 2 1 286.410 3.274 20 0 CGADMP Cc1[nH+]cc(CNc2ccc(C[NH+]3CCCCC3)cc2)n1C ZINC000883403744 636742657 /nfs/dbraw/zinc/74/26/57/636742657.db2.gz CAWFIPWQVIDORM-UHFFFAOYSA-N 2 1 298.434 3.327 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C(C)(C)O1 ZINC000883424277 636751820 /nfs/dbraw/zinc/75/18/20/636751820.db2.gz MTFLBHCCTXSMQU-ARFHVFGLSA-N 2 1 294.483 3.044 20 0 CGADMP CCC1([NH+]2CCCCC2)CCN(CCCCCC[NH3+])CC1 ZINC000883447583 636758635 /nfs/dbraw/zinc/75/86/35/636758635.db2.gz GJQXONPVPCAQCK-UHFFFAOYSA-N 2 1 295.515 3.236 20 0 CGADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000883461995 636761112 /nfs/dbraw/zinc/76/11/12/636761112.db2.gz HSCPWLMKQFMKLC-MPGHIAIKSA-N 2 1 270.420 3.310 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850354966 637025278 /nfs/dbraw/zinc/02/52/78/637025278.db2.gz DYEPLEQQASYGNA-LLVKDONJSA-N 2 1 269.458 3.119 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437365 637062992 /nfs/dbraw/zinc/06/29/92/637062992.db2.gz LVDFAFOHRQUOOW-GRDNDAEWSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437365 637062995 /nfs/dbraw/zinc/06/29/95/637062995.db2.gz LVDFAFOHRQUOOW-GRDNDAEWSA-N 2 1 288.435 3.145 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000885894005 637307012 /nfs/dbraw/zinc/30/70/12/637307012.db2.gz CBMXHCXSKKCECD-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000885926569 637314802 /nfs/dbraw/zinc/31/48/02/637314802.db2.gz FVGSHVWPOYQIGL-UTCJRWHESA-N 2 1 273.355 3.024 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC000886069663 637398435 /nfs/dbraw/zinc/39/84/35/637398435.db2.gz JSZSPXLMKZNOPU-ILXRZTDVSA-N 2 1 259.397 3.025 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886114468 637422143 /nfs/dbraw/zinc/42/21/43/637422143.db2.gz PRBJVAYQBQHQNP-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886114468 637422146 /nfs/dbraw/zinc/42/21/46/637422146.db2.gz PRBJVAYQBQHQNP-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2CCc3cccnc32)C1 ZINC000886553158 637578100 /nfs/dbraw/zinc/57/81/00/637578100.db2.gz FKBSBJOVPLFILR-RDJZCZTQSA-N 2 1 287.451 3.027 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886553158 637578106 /nfs/dbraw/zinc/57/81/06/637578106.db2.gz FKBSBJOVPLFILR-RDJZCZTQSA-N 2 1 287.451 3.027 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886553158 637578110 /nfs/dbraw/zinc/57/81/10/637578110.db2.gz FKBSBJOVPLFILR-RDJZCZTQSA-N 2 1 287.451 3.027 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CC3CCCC3)CC2)[nH+]c1C ZINC000886663134 637638805 /nfs/dbraw/zinc/63/88/05/637638805.db2.gz TVNXVUBBWAYQOL-UHFFFAOYSA-N 2 1 261.413 3.396 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852748707 637705252 /nfs/dbraw/zinc/70/52/52/637705252.db2.gz ZIGHAOZJRYRCPH-IEBWSBKVSA-N 2 1 284.447 3.182 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000852759431 637708500 /nfs/dbraw/zinc/70/85/00/637708500.db2.gz OFGZNJPQAWYKRW-QGZVFWFLSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000852759431 637708501 /nfs/dbraw/zinc/70/85/01/637708501.db2.gz OFGZNJPQAWYKRW-QGZVFWFLSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000886859753 637715347 /nfs/dbraw/zinc/71/53/47/637715347.db2.gz DBVDDPLOTJQJMU-ZDUSSCGKSA-N 2 1 282.378 3.273 20 0 CGADMP Fc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925498058 638240059 /nfs/dbraw/zinc/24/00/59/638240059.db2.gz BMLDXKZEICNRKM-RDJZCZTQSA-N 2 1 294.389 3.223 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924571383 638364300 /nfs/dbraw/zinc/36/43/00/638364300.db2.gz FYMUGYXKLGRQIC-MAUKXSAKSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924571381 638364510 /nfs/dbraw/zinc/36/45/10/638364510.db2.gz FYMUGYXKLGRQIC-CRAIPNDOSA-N 2 1 294.483 3.046 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)[NH+](C)C ZINC000924633152 638380157 /nfs/dbraw/zinc/38/01/57/638380157.db2.gz NHBOUFNAPUUHIN-OKZBNKHCSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924651645 638384355 /nfs/dbraw/zinc/38/43/55/638384355.db2.gz ZOYHNILPHUNMSS-NUEKZKHPSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC2(C1)CCCC2 ZINC000924952676 638429801 /nfs/dbraw/zinc/42/98/01/638429801.db2.gz NYZYPIICNJBSRL-ZDUSSCGKSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(O)cc(F)c1 ZINC000925222320 638478366 /nfs/dbraw/zinc/47/83/66/638478366.db2.gz RLALZCLPOAMRKX-CQDKDKBSSA-N 2 1 280.387 3.055 20 0 CGADMP CCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCC1 ZINC000925525635 638519167 /nfs/dbraw/zinc/51/91/67/638519167.db2.gz INXUDJXIRBGLPQ-ALOPSCKCSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1cccnc1CCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925683428 638568986 /nfs/dbraw/zinc/56/89/86/638568986.db2.gz QFYDWYXGEYLKBL-QAPCUYQASA-N 2 1 283.419 3.001 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccccc1 ZINC000925719881 638579219 /nfs/dbraw/zinc/57/92/19/638579219.db2.gz VVBVNCRSJXJEGZ-BPUTZDHNSA-N 2 1 258.409 3.245 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC(C)(C)CC(F)F)c1ccccc1 ZINC000925734317 638587831 /nfs/dbraw/zinc/58/78/31/638587831.db2.gz QLVJPXQNHFJVDD-BXUZGUMPSA-N 2 1 270.367 3.346 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000925776899 638609257 /nfs/dbraw/zinc/60/92/57/638609257.db2.gz NSIOHUQDMNXFRY-QWHCGFSZSA-N 2 1 288.407 3.424 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000925784465 638611978 /nfs/dbraw/zinc/61/19/78/638611978.db2.gz RXNMDCTXIWHNFF-IUODEOHRSA-N 2 1 298.352 3.038 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926455566 638773114 /nfs/dbraw/zinc/77/31/14/638773114.db2.gz HRHISRZDEHHMKF-YESZJQIVSA-N 2 1 284.488 3.028 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926455566 638773115 /nfs/dbraw/zinc/77/31/15/638773115.db2.gz HRHISRZDEHHMKF-YESZJQIVSA-N 2 1 284.488 3.028 20 0 CGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1ccnnc1)C1CCCCC1 ZINC000926646827 638794313 /nfs/dbraw/zinc/79/43/13/638794313.db2.gz BNKLWWIJKJSFSB-HNNXBMFYSA-N 2 1 290.455 3.172 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccnnc1)C1CCCCC1 ZINC000926646827 638794315 /nfs/dbraw/zinc/79/43/15/638794315.db2.gz BNKLWWIJKJSFSB-HNNXBMFYSA-N 2 1 290.455 3.172 20 0 CGADMP C([NH2+]C1CC2(C1)CCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739776 638805803 /nfs/dbraw/zinc/80/58/03/638805803.db2.gz YYEPNDGYWBRSMR-INIZCTEOSA-N 2 1 276.468 3.421 20 0 CGADMP FCc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929694532 638941871 /nfs/dbraw/zinc/94/18/71/638941871.db2.gz BIRIGUAJACRANH-OAHLLOKOSA-N 2 1 276.399 3.074 20 0 CGADMP FCc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929694532 638941872 /nfs/dbraw/zinc/94/18/72/638941872.db2.gz BIRIGUAJACRANH-OAHLLOKOSA-N 2 1 276.399 3.074 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC3(CCC3)O2)C[C@@H]1C ZINC000929780138 638950643 /nfs/dbraw/zinc/95/06/43/638950643.db2.gz LCECFWJUBVUBIR-ULQDDVLXSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC3(CCC3)O2)C[C@@H]1C ZINC000929780138 638950645 /nfs/dbraw/zinc/95/06/45/638950645.db2.gz LCECFWJUBVUBIR-ULQDDVLXSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC3(CCC3)O2)C[C@@H]1C ZINC000929780138 638950646 /nfs/dbraw/zinc/95/06/46/638950646.db2.gz LCECFWJUBVUBIR-ULQDDVLXSA-N 2 1 294.483 3.283 20 0 CGADMP Cc1cc(C)nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930060207 638971259 /nfs/dbraw/zinc/97/12/59/638971259.db2.gz HAEWHYBNSBJSRL-APWZRJJASA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930060207 638971260 /nfs/dbraw/zinc/97/12/60/638971260.db2.gz HAEWHYBNSBJSRL-APWZRJJASA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000930060207 638971262 /nfs/dbraw/zinc/97/12/62/638971262.db2.gz HAEWHYBNSBJSRL-APWZRJJASA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000930060207 638971264 /nfs/dbraw/zinc/97/12/64/638971264.db2.gz HAEWHYBNSBJSRL-APWZRJJASA-N 2 1 299.462 3.147 20 0 CGADMP C[C@@H](C1CC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000930266130 638986768 /nfs/dbraw/zinc/98/67/68/638986768.db2.gz IWKKPWOCNOWQAI-ZDUSSCGKSA-N 2 1 273.424 3.197 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1Cc2ccccc2C1 ZINC000035657885 639024257 /nfs/dbraw/zinc/02/42/57/639024257.db2.gz QMZOYHINFVFZRF-HNNXBMFYSA-N 2 1 272.436 3.008 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000931353217 639139498 /nfs/dbraw/zinc/13/94/98/639139498.db2.gz BWQRDPWKJQAELD-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433604 639148762 /nfs/dbraw/zinc/14/87/62/639148762.db2.gz DPLWKHGQIAVUKJ-AEGPPILISA-N 2 1 278.827 3.285 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433604 639148767 /nfs/dbraw/zinc/14/87/67/639148767.db2.gz DPLWKHGQIAVUKJ-AEGPPILISA-N 2 1 278.827 3.285 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CN(C)CC3)c1 ZINC000931725813 639196721 /nfs/dbraw/zinc/19/67/21/639196721.db2.gz FCDAZSZIFRIGAO-SJORKVTESA-N 2 1 288.435 3.142 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC000933737974 639484198 /nfs/dbraw/zinc/48/41/98/639484198.db2.gz WMPMUFJVGWNXOZ-WBVHZDCISA-N 2 1 292.854 3.156 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC000933737974 639484203 /nfs/dbraw/zinc/48/42/03/639484203.db2.gz WMPMUFJVGWNXOZ-WBVHZDCISA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC000933737974 639484210 /nfs/dbraw/zinc/48/42/10/639484210.db2.gz WMPMUFJVGWNXOZ-WBVHZDCISA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC000933737974 639484213 /nfs/dbraw/zinc/48/42/13/639484213.db2.gz WMPMUFJVGWNXOZ-WBVHZDCISA-N 2 1 292.854 3.156 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933916341 639506817 /nfs/dbraw/zinc/50/68/17/639506817.db2.gz XYWPXKXCRKJDJT-MRXNPFEDSA-N 2 1 293.480 3.189 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933916341 639506825 /nfs/dbraw/zinc/50/68/25/639506825.db2.gz XYWPXKXCRKJDJT-MRXNPFEDSA-N 2 1 293.480 3.189 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1Cl)C1CCC([NH3+])CC1 ZINC000091846566 640725200 /nfs/dbraw/zinc/72/52/00/640725200.db2.gz MJRMCLCKMFHLOO-UHFFFAOYSA-N 2 1 270.779 3.181 20 0 CGADMP Cc1cccc2[nH+]cc(Nc3ccc4c[nH+]cn4c3)n21 ZINC001250329362 805574740 /nfs/dbraw/zinc/57/47/40/805574740.db2.gz HTGDZZVVPUSVDX-UHFFFAOYSA-N 2 1 263.304 3.034 20 0 CGADMP CCc1ccc(C)[nH+]c1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159107616 806042175 /nfs/dbraw/zinc/04/21/75/806042175.db2.gz RYKORGGNBFMYFQ-UHFFFAOYSA-N 2 1 296.418 3.106 20 0 CGADMP CC(C)([NH3+])c1ccc(Nc2c[nH+]c3ccccn23)cc1 ZINC001159203644 806059226 /nfs/dbraw/zinc/05/92/26/806059226.db2.gz HXYJLESDAMYXRF-UHFFFAOYSA-N 2 1 266.348 3.272 20 0 CGADMP [NH3+]Cc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001159483701 806110871 /nfs/dbraw/zinc/11/08/71/806110871.db2.gz ARKHXYZXLSGTCB-UHFFFAOYSA-N 2 1 293.414 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1ccc(C)c(C)c1 ZINC001253208700 806182333 /nfs/dbraw/zinc/18/23/33/806182333.db2.gz AOPOTCOQSZLSHR-QZTJIDSGSA-N 2 1 292.467 3.047 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCc2ccc(F)cc2)C1 ZINC001254328514 806382086 /nfs/dbraw/zinc/38/20/86/806382086.db2.gz MHCSYCKKQQPHOQ-IYBDPMFKSA-N 2 1 292.442 3.326 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)C1CCc2ccccc2CC1 ZINC001254451032 806405157 /nfs/dbraw/zinc/40/51/57/806405157.db2.gz IUVJTSJPUYVKIG-UHFFFAOYSA-N 2 1 272.436 3.136 20 0 CGADMP C[C@@H]([NH3+])c1ccc2c(ccn2[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254500010 806421605 /nfs/dbraw/zinc/42/16/05/806421605.db2.gz RVKUPGZKCZQGKZ-CJNGLKHVSA-N 2 1 271.408 3.318 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254508601 806428440 /nfs/dbraw/zinc/42/84/40/806428440.db2.gz KKNPTJOCYXNGLQ-SFHVURJKSA-N 2 1 274.452 3.426 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCN(C)CC1 ZINC001254511340 806430835 /nfs/dbraw/zinc/43/08/35/806430835.db2.gz ZCSBAVMJQNKTNB-KBAYOESNSA-N 2 1 295.515 3.231 20 0 CGADMP CCC(CC)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254511340 806430842 /nfs/dbraw/zinc/43/08/42/806430842.db2.gz ZCSBAVMJQNKTNB-KBAYOESNSA-N 3 1 295.515 3.231 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254511340 806430845 /nfs/dbraw/zinc/43/08/45/806430845.db2.gz ZCSBAVMJQNKTNB-KBAYOESNSA-N 3 1 295.515 3.231 20 0 CGADMP CCC(CC)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254511340 806430849 /nfs/dbraw/zinc/43/08/49/806430849.db2.gz ZCSBAVMJQNKTNB-KBAYOESNSA-N 3 1 295.515 3.231 20 0 CGADMP CCC(CC)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254511340 806430854 /nfs/dbraw/zinc/43/08/54/806430854.db2.gz ZCSBAVMJQNKTNB-KBAYOESNSA-N 3 1 295.515 3.231 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254525149 806440595 /nfs/dbraw/zinc/44/05/95/806440595.db2.gz GRWUMJPNKPTKGB-GDBMZVCRSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254525149 806440602 /nfs/dbraw/zinc/44/06/02/806440602.db2.gz GRWUMJPNKPTKGB-GDBMZVCRSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254525149 806440607 /nfs/dbraw/zinc/44/06/07/806440607.db2.gz GRWUMJPNKPTKGB-GDBMZVCRSA-N 2 1 276.424 3.172 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254532543 806444923 /nfs/dbraw/zinc/44/49/23/806444923.db2.gz URQYEYRHOGNRLY-OAGGEKHMSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254532543 806444929 /nfs/dbraw/zinc/44/49/29/806444929.db2.gz URQYEYRHOGNRLY-OAGGEKHMSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254532543 806444936 /nfs/dbraw/zinc/44/49/36/806444936.db2.gz URQYEYRHOGNRLY-OAGGEKHMSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254532543 806444943 /nfs/dbraw/zinc/44/49/43/806444943.db2.gz URQYEYRHOGNRLY-OAGGEKHMSA-N 2 1 250.430 3.125 20 0 CGADMP Cc1cc[nH+]c(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162191910 806524479 /nfs/dbraw/zinc/52/44/79/806524479.db2.gz IBWQGLDBEYAUPE-QAQDUYKDSA-N 2 1 296.418 3.062 20 0 CGADMP C[C@H]1CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135945 806551276 /nfs/dbraw/zinc/55/12/76/806551276.db2.gz GKGJOSUMMFZBKE-OWLYRPNTSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@H]1CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135945 806551282 /nfs/dbraw/zinc/55/12/82/806551282.db2.gz GKGJOSUMMFZBKE-OWLYRPNTSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@H]1CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135945 806551289 /nfs/dbraw/zinc/55/12/89/806551289.db2.gz GKGJOSUMMFZBKE-OWLYRPNTSA-N 2 1 270.420 3.276 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](C3CCC(C)(C)CC3)C2)CC1 ZINC001255308424 806602966 /nfs/dbraw/zinc/60/29/66/806602966.db2.gz PCHSDWPDUZHUTH-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001255325951 806613183 /nfs/dbraw/zinc/61/31/83/806613183.db2.gz LQSXNJLBHNHWME-HNNXBMFYSA-N 2 1 292.471 3.118 20 0 CGADMP CCCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001255325951 806613186 /nfs/dbraw/zinc/61/31/86/806613186.db2.gz LQSXNJLBHNHWME-HNNXBMFYSA-N 2 1 292.471 3.118 20 0 CGADMP CCCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001255325951 806613191 /nfs/dbraw/zinc/61/31/91/806613191.db2.gz LQSXNJLBHNHWME-HNNXBMFYSA-N 2 1 292.471 3.118 20 0 CGADMP CCCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001255325951 806613195 /nfs/dbraw/zinc/61/31/95/806613195.db2.gz LQSXNJLBHNHWME-HNNXBMFYSA-N 2 1 292.471 3.118 20 0 CGADMP C[C@H]([NH3+])c1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382899 806630249 /nfs/dbraw/zinc/63/02/49/806630249.db2.gz YKSHLDYDMYKTCM-DOTOQJQBSA-N 2 1 298.434 3.130 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399509 806632194 /nfs/dbraw/zinc/63/21/94/806632194.db2.gz TYLCXRYAPYEUJF-BPQIPLTHSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399509 806632200 /nfs/dbraw/zinc/63/22/00/806632200.db2.gz TYLCXRYAPYEUJF-BPQIPLTHSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399509 806632207 /nfs/dbraw/zinc/63/22/07/806632207.db2.gz TYLCXRYAPYEUJF-BPQIPLTHSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399509 806632215 /nfs/dbraw/zinc/63/22/15/806632215.db2.gz TYLCXRYAPYEUJF-BPQIPLTHSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@H]1CC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255397314 806633610 /nfs/dbraw/zinc/63/36/10/806633610.db2.gz FEJVSPSTPHXXBM-DOTOQJQBSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@H]1CC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397314 806633617 /nfs/dbraw/zinc/63/36/17/806633617.db2.gz FEJVSPSTPHXXBM-DOTOQJQBSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@H]1CC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397314 806633624 /nfs/dbraw/zinc/63/36/24/806633624.db2.gz FEJVSPSTPHXXBM-DOTOQJQBSA-N 2 1 258.409 3.135 20 0 CGADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn([C@H]3CCC[N@@H+](C)C3)c2c1 ZINC001255473732 806647721 /nfs/dbraw/zinc/64/77/21/806647721.db2.gz XHZLJWOOAIBGHN-ZBFHGGJFSA-N 2 1 285.435 3.106 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255506109 806656292 /nfs/dbraw/zinc/65/62/92/806656292.db2.gz ZHPZNJAJLRCHSR-RYTJFDOTSA-N 2 1 278.484 3.475 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255506109 806656296 /nfs/dbraw/zinc/65/62/96/806656296.db2.gz ZHPZNJAJLRCHSR-RYTJFDOTSA-N 2 1 278.484 3.475 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255506109 806656298 /nfs/dbraw/zinc/65/62/98/806656298.db2.gz ZHPZNJAJLRCHSR-RYTJFDOTSA-N 2 1 278.484 3.475 20 0 CGADMP C[C@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255673920 806702291 /nfs/dbraw/zinc/70/22/91/806702291.db2.gz HYJLUDLTDKWBGH-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255673920 806702298 /nfs/dbraw/zinc/70/22/98/806702298.db2.gz HYJLUDLTDKWBGH-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255673920 806702302 /nfs/dbraw/zinc/70/23/02/806702302.db2.gz HYJLUDLTDKWBGH-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255673920 806702307 /nfs/dbraw/zinc/70/23/07/806702307.db2.gz HYJLUDLTDKWBGH-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[C@H](C)[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674098 806702734 /nfs/dbraw/zinc/70/27/34/806702734.db2.gz KIHUQYVPNMEOTE-WDFJATGCSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@H]1CCC[C@H](C)[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674098 806702739 /nfs/dbraw/zinc/70/27/39/806702739.db2.gz KIHUQYVPNMEOTE-WDFJATGCSA-N 2 1 250.430 3.265 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255709034 806712814 /nfs/dbraw/zinc/71/28/14/806712814.db2.gz PAIQGTGSCUZCLN-MNOVXSKESA-N 2 1 275.318 3.068 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255720711 806719206 /nfs/dbraw/zinc/71/92/06/806719206.db2.gz HFEHMRYKKJXBIM-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Cl ZINC000311005720 799223394 /nfs/dbraw/zinc/22/33/94/799223394.db2.gz JDMJNNJXSDOSGM-CQSZACIVSA-N 2 1 266.816 3.209 20 0 CGADMP [NH3+]CCc1cccc(Nc2cc[nH+]c3ccccc23)c1 ZINC000313156679 799230176 /nfs/dbraw/zinc/23/01/76/799230176.db2.gz CFTQDNACIQPFEP-UHFFFAOYSA-N 2 1 263.344 3.480 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCCC[C@H](C[NH3+])C3)c[nH]c21 ZINC000314266803 799233570 /nfs/dbraw/zinc/23/35/70/799233570.db2.gz TUNXKHKBAJWZQL-CQSZACIVSA-N 2 1 285.435 3.291 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CSc1ccc(C)cc1 ZINC001255750758 806735241 /nfs/dbraw/zinc/73/52/41/806735241.db2.gz XTGRUHIHHVDLOH-AWEZNQCLSA-N 2 1 289.448 3.354 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380908763 799369577 /nfs/dbraw/zinc/36/95/77/799369577.db2.gz JHRXDWFSSZPGRY-SJLPKXTDSA-N 2 1 298.430 3.322 20 0 CGADMP CCc1nc(C[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000381395805 799378452 /nfs/dbraw/zinc/37/84/52/799378452.db2.gz NQBLGKAELSJUCY-AGUYFDCRSA-N 2 1 293.480 3.058 20 0 CGADMP CCc1nc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000381395805 799378458 /nfs/dbraw/zinc/37/84/58/799378458.db2.gz NQBLGKAELSJUCY-AGUYFDCRSA-N 2 1 293.480 3.058 20 0 CGADMP Cc1cc(C)[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001163356215 806744391 /nfs/dbraw/zinc/74/43/91/806744391.db2.gz AJLJPGZVNBBHFO-UKRRQHHQSA-N 2 1 261.413 3.229 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000385252207 799425106 /nfs/dbraw/zinc/42/51/06/799425106.db2.gz NBZZLGRNRKLUGK-CQSZACIVSA-N 2 1 260.425 3.025 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000385252207 799425110 /nfs/dbraw/zinc/42/51/10/799425110.db2.gz NBZZLGRNRKLUGK-CQSZACIVSA-N 2 1 260.425 3.025 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000388241486 799451951 /nfs/dbraw/zinc/45/19/51/799451951.db2.gz DVJGDZAXXVDNEO-ZIAGYGMSSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000388241486 799451955 /nfs/dbraw/zinc/45/19/55/799451955.db2.gz DVJGDZAXXVDNEO-ZIAGYGMSSA-N 2 1 266.404 3.075 20 0 CGADMP CC1CCC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398311485 799529643 /nfs/dbraw/zinc/52/96/43/799529643.db2.gz LMVUDPYVVGBSAI-MFMKDUOCSA-N 2 1 284.447 3.285 20 0 CGADMP CC1CCC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398311485 799529646 /nfs/dbraw/zinc/52/96/46/799529646.db2.gz LMVUDPYVVGBSAI-MFMKDUOCSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)[C@H]1CC[NH3+] ZINC000404451774 799577358 /nfs/dbraw/zinc/57/73/58/799577358.db2.gz ZDHJZUBYNKOJOM-WOPDTQHZSA-N 2 1 279.255 3.020 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001255857947 806771890 /nfs/dbraw/zinc/77/18/90/806771890.db2.gz ZCGIOKRLKNNIQK-OAHLLOKOSA-N 2 1 280.431 3.468 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001255857947 806771898 /nfs/dbraw/zinc/77/18/98/806771898.db2.gz ZCGIOKRLKNNIQK-OAHLLOKOSA-N 2 1 280.431 3.468 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)s1 ZINC000693925162 799817204 /nfs/dbraw/zinc/81/72/04/799817204.db2.gz KJTQULXECRSKOX-STQMWFEESA-N 2 1 252.427 3.191 20 0 CGADMP CC(C)C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000699300845 799858903 /nfs/dbraw/zinc/85/89/03/799858903.db2.gz MMDSBBUPDGYCQM-MQVJKMGUSA-N 2 1 264.457 3.418 20 0 CGADMP C1C[N@H+]([C@@H]2CCC[NH2+]CC2)C[C@@H]1C1CCCCC1 ZINC000708837742 799996963 /nfs/dbraw/zinc/99/69/63/799996963.db2.gz QILYVBUSGVMSKR-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC2(CC2)CC1 ZINC000709970032 800025156 /nfs/dbraw/zinc/02/51/56/800025156.db2.gz XDJNSBRIAZJUKN-CVEARBPZSA-N 2 1 262.441 3.173 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc2ncccc2c1 ZINC000710835909 800039606 /nfs/dbraw/zinc/03/96/06/800039606.db2.gz CYGUKZWZLIFYAB-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1cccc(N)n1)C(C)C ZINC001255955876 806798350 /nfs/dbraw/zinc/79/83/50/806798350.db2.gz XBQTWRPMXWWBGO-WMLDXEAASA-N 2 1 292.471 3.071 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCCc2ccncc21 ZINC001255955601 806798385 /nfs/dbraw/zinc/79/83/85/806798385.db2.gz VDEWRMPVLOZCFN-RHSMWYFYSA-N 2 1 275.440 3.169 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(C(F)F)CC1 ZINC001255963682 806800768 /nfs/dbraw/zinc/80/07/68/806800768.db2.gz JJJJTFDGEYFTND-LBPRGKRZSA-N 2 1 262.388 3.084 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000711895380 800079734 /nfs/dbraw/zinc/07/97/34/800079734.db2.gz LNLISMFWVXZTMX-MRXNPFEDSA-N 2 1 261.413 3.140 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001255965283 806803323 /nfs/dbraw/zinc/80/33/23/806803323.db2.gz ZJFVOTPHLSOOEO-IRXDYDNUSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001255965283 806803332 /nfs/dbraw/zinc/80/33/32/806803332.db2.gz ZJFVOTPHLSOOEO-IRXDYDNUSA-N 2 1 289.467 3.381 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715489562 800136466 /nfs/dbraw/zinc/13/64/66/800136466.db2.gz DDFMIXWTSQQENH-GJZGRUSLSA-N 2 1 296.842 3.311 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716715511 800179481 /nfs/dbraw/zinc/17/94/81/800179481.db2.gz CIUNHLPCHVDAMN-QTUASDBPSA-N 2 1 284.447 3.285 20 0 CGADMP c1ccc(CC2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)nc1 ZINC001256072709 806811543 /nfs/dbraw/zinc/81/15/43/806811543.db2.gz UXPZZJSHLPGHTD-UHFFFAOYSA-N 2 1 299.462 3.011 20 0 CGADMP Cc1ccc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2n1 ZINC001256074172 806812439 /nfs/dbraw/zinc/81/24/39/806812439.db2.gz NEXCQIUIZOPWRL-UHFFFAOYSA-N 2 1 295.430 3.260 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076204 806812467 /nfs/dbraw/zinc/81/24/67/806812467.db2.gz DIRBOCMOVACFTD-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076204 806812470 /nfs/dbraw/zinc/81/24/70/806812470.db2.gz DIRBOCMOVACFTD-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H](OC)CC1)[NH+](C)C ZINC000718753643 800222116 /nfs/dbraw/zinc/22/21/16/800222116.db2.gz PEQOBJFDWDVCPG-IKGGRYGDSA-N 2 1 284.488 3.290 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000718755702 800222163 /nfs/dbraw/zinc/22/21/63/800222163.db2.gz VLZHIYSBMUSTEU-GVDBMIGSSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C[NH2+]1 ZINC000723608005 800330271 /nfs/dbraw/zinc/33/02/71/800330271.db2.gz MWMMUAPZHDQYAB-LJIZCISZSA-N 2 1 250.430 3.075 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c(C)c1 ZINC000723694791 800338350 /nfs/dbraw/zinc/33/83/50/800338350.db2.gz IJKXOBZULREFEH-HOTGVXAUSA-N 2 1 260.425 3.344 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CSC)cc2)C1 ZINC000724712091 800365656 /nfs/dbraw/zinc/36/56/56/800365656.db2.gz ZYAPTJAYLZGDTG-QGZVFWFLSA-N 2 1 292.492 3.371 20 0 CGADMP C[NH+]1CCC([NH2+]C(C)(C)c2ccc(Cl)cc2)CC1 ZINC001256195353 806846729 /nfs/dbraw/zinc/84/67/29/806846729.db2.gz OOAWHKWQIWOQKB-UHFFFAOYSA-N 2 1 266.816 3.259 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC001256196339 806847901 /nfs/dbraw/zinc/84/79/01/806847901.db2.gz JFSSIOOTNLDKGP-UHFFFAOYSA-N 2 1 268.404 3.066 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1ccccc1 ZINC000925713805 800632103 /nfs/dbraw/zinc/63/21/03/800632103.db2.gz UKXYYLBXOPXNPJ-CYUUQNCZSA-N 2 1 284.806 3.369 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2C2CCN(C)CC2)cc1 ZINC001256207836 806850507 /nfs/dbraw/zinc/85/05/07/806850507.db2.gz UVUIPIVEKXMMMC-GOSISDBHSA-N 2 1 288.435 3.316 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001256568874 806918430 /nfs/dbraw/zinc/91/84/30/806918430.db2.gz IXSZBMKOAYDWDI-CYBMUJFWSA-N 2 1 292.389 3.319 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001256568874 806918432 /nfs/dbraw/zinc/91/84/32/806918432.db2.gz IXSZBMKOAYDWDI-CYBMUJFWSA-N 2 1 292.389 3.319 20 0 CGADMP c1ccc(CN2CCC([N@H+]3CCC4(CC4)C3)CC2)cc1 ZINC001256605428 806923651 /nfs/dbraw/zinc/92/36/51/806923651.db2.gz GRJZTFSIDRSDQG-UHFFFAOYSA-N 2 1 270.420 3.137 20 0 CGADMP CCCC[NH+](CCCC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614673 806925749 /nfs/dbraw/zinc/92/57/49/806925749.db2.gz GSKRKNDAFPJCSV-AYHJJNSGSA-N 2 1 295.515 3.103 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001116210240 802310931 /nfs/dbraw/zinc/31/09/31/802310931.db2.gz YXGUMRGIMBUZRZ-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001116210240 802310938 /nfs/dbraw/zinc/31/09/38/802310938.db2.gz YXGUMRGIMBUZRZ-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001116210240 802310947 /nfs/dbraw/zinc/31/09/47/802310947.db2.gz YXGUMRGIMBUZRZ-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001116210240 802310957 /nfs/dbraw/zinc/31/09/57/802310957.db2.gz YXGUMRGIMBUZRZ-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001116210240 802310963 /nfs/dbraw/zinc/31/09/63/802310963.db2.gz YXGUMRGIMBUZRZ-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001116292716 802326942 /nfs/dbraw/zinc/32/69/42/802326942.db2.gz BWJHAFIIDQMCNB-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC001117318853 802463319 /nfs/dbraw/zinc/46/33/19/802463319.db2.gz BTSPXFJWESRYAD-OUCADQQQSA-N 2 1 293.842 3.185 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001117745831 802485475 /nfs/dbraw/zinc/48/54/75/802485475.db2.gz XWRHIRBRWCJPKX-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001117745831 802485480 /nfs/dbraw/zinc/48/54/80/802485480.db2.gz XWRHIRBRWCJPKX-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001117745831 802485483 /nfs/dbraw/zinc/48/54/83/802485483.db2.gz XWRHIRBRWCJPKX-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001117745831 802485486 /nfs/dbraw/zinc/48/54/86/802485486.db2.gz XWRHIRBRWCJPKX-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC001118122237 802526991 /nfs/dbraw/zinc/52/69/91/802526991.db2.gz RVMBUTYOWWRYQY-ABAIWWIYSA-N 2 1 250.386 3.017 20 0 CGADMP COc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)ccc1F ZINC001119090852 802631510 /nfs/dbraw/zinc/63/15/10/802631510.db2.gz OUIQLPKMEKOAJN-KRWDZBQOSA-N 2 1 294.414 3.031 20 0 CGADMP c1csc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256896632 807000114 /nfs/dbraw/zinc/00/01/14/807000114.db2.gz KURUSMPGAJFBCP-AWEZNQCLSA-N 2 1 278.465 3.287 20 0 CGADMP c1csc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256896632 807000123 /nfs/dbraw/zinc/00/01/23/807000123.db2.gz KURUSMPGAJFBCP-AWEZNQCLSA-N 2 1 278.465 3.287 20 0 CGADMP CCC[NH+](CCC)CCN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256899998 807002034 /nfs/dbraw/zinc/00/20/34/807002034.db2.gz YTRQMWHFCPJJOV-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP [NH3+]Cc1cnc2c(ccn2[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256900309 807002897 /nfs/dbraw/zinc/00/28/97/807002897.db2.gz LWMQKJIUHUFDOH-KRWDZBQOSA-N 2 1 298.434 3.075 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205135873 812883735 /nfs/dbraw/zinc/88/37/35/812883735.db2.gz AYXXWPADKJRTCG-WCQYABFASA-N 2 1 274.433 3.236 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccn2Cc2ccccc2)CC1 ZINC001205280507 812928755 /nfs/dbraw/zinc/92/87/55/812928755.db2.gz AYIKEDAYWBOUER-IBGZPJMESA-N 2 1 297.446 3.240 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@](C)(CF)C2)cc1 ZINC001138544688 803963751 /nfs/dbraw/zinc/96/37/51/803963751.db2.gz MSYZWBAGRARCSL-QGZVFWFLSA-N 2 1 287.382 3.362 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@](C)(CF)C2)cc1 ZINC001138544688 803963756 /nfs/dbraw/zinc/96/37/56/803963756.db2.gz MSYZWBAGRARCSL-QGZVFWFLSA-N 2 1 287.382 3.362 20 0 CGADMP C[C@H]1CC([NH2+]C2(c3ccc(Cl)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246076531 804113769 /nfs/dbraw/zinc/11/37/69/804113769.db2.gz ORHMLROAAHKQTE-RYUDHWBXSA-N 2 1 278.827 3.448 20 0 CGADMP C[C@@]1([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC001246092376 804123985 /nfs/dbraw/zinc/12/39/85/804123985.db2.gz BQZHNHLGDWDGPH-BRWVUGGUSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246091378 804124405 /nfs/dbraw/zinc/12/44/05/804124405.db2.gz PTNVSAXHKKEGAH-RYUDHWBXSA-N 2 1 284.806 3.142 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246107398 804140051 /nfs/dbraw/zinc/14/00/51/804140051.db2.gz AWNVFEPWPPCSNH-YESZJQIVSA-N 2 1 258.409 3.054 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246114607 804146710 /nfs/dbraw/zinc/14/67/10/804146710.db2.gz QHCRBOFUWVNMQV-IAGOWNOFSA-N 2 1 278.415 3.079 20 0 CGADMP C[C@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246115918 804148083 /nfs/dbraw/zinc/14/80/83/804148083.db2.gz KTAHIHXZJPFRMR-ONENECBXSA-N 2 1 299.245 3.048 20 0 CGADMP F[C@@]1(C[NH2+]C2CCc3ccccc3CC2)CCCC[NH2+]C1 ZINC001246116153 804148212 /nfs/dbraw/zinc/14/82/12/804148212.db2.gz UWUBOLGPROPGLN-SFHVURJKSA-N 2 1 290.426 3.005 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[NH2+][C@H]3CC[NH2+]C3)ccc2c1 ZINC001246117605 804149826 /nfs/dbraw/zinc/14/98/26/804149826.db2.gz RJAJCTSADNWKJO-KDOFPFPSSA-N 2 1 298.430 3.121 20 0 CGADMP CCCCCC[C@H](CC)[NH2+][C@@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246122850 804152899 /nfs/dbraw/zinc/15/28/99/804152899.db2.gz BTJFTPOUDZZJJQ-DOTOQJQBSA-N 2 1 298.471 3.010 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246133463 804159586 /nfs/dbraw/zinc/15/95/86/804159586.db2.gz JKFICERTGZJHES-UHOFOFEASA-N 2 1 278.827 3.145 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246137389 804160779 /nfs/dbraw/zinc/16/07/79/804160779.db2.gz VMAMUUUYKAPJBF-VBNZEHGJSA-N 2 1 278.827 3.145 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139336843 804175475 /nfs/dbraw/zinc/17/54/75/804175475.db2.gz CBVIEXWKQATITQ-UHFFFAOYSA-N 2 1 284.403 3.071 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159942 804175967 /nfs/dbraw/zinc/17/59/67/804175967.db2.gz LPRIHQYIEORHHC-XLAORIBOSA-N 2 1 296.499 3.338 20 0 CGADMP CCCCC[C@@H](CC)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160423 804177777 /nfs/dbraw/zinc/17/77/77/804177777.db2.gz MWCSVMQGFZQRJG-BRWVUGGUSA-N 2 1 282.472 3.236 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175963 804190847 /nfs/dbraw/zinc/19/08/47/804190847.db2.gz JTEUCADRWARRPW-DLBZAZTESA-N 3 1 295.515 3.137 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175963 804190853 /nfs/dbraw/zinc/19/08/53/804190853.db2.gz JTEUCADRWARRPW-DLBZAZTESA-N 3 1 295.515 3.137 20 0 CGADMP F[C@]1(C[NH2+]C2CCC(c3ccccc3)CC2)CCC[NH2+]C1 ZINC001246180124 804193368 /nfs/dbraw/zinc/19/33/68/804193368.db2.gz PNEFSVNGRIBUDV-DAWZGUTISA-N 2 1 290.426 3.394 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246180017 804193569 /nfs/dbraw/zinc/19/35/69/804193569.db2.gz QCKQNPLHRWYOHI-LPHOPBHVSA-N 2 1 294.442 3.333 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@]2(F)CCC[NH2+]C2)CC1 ZINC001246181854 804195535 /nfs/dbraw/zinc/19/55/35/804195535.db2.gz SGHGPCPSFGBPSH-XUJLQICISA-N 2 1 270.436 3.273 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246192039 804199676 /nfs/dbraw/zinc/19/96/76/804199676.db2.gz YBCXDQJCIUFJIS-IRXDYDNUSA-N 2 1 260.425 3.130 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246231088 804223894 /nfs/dbraw/zinc/22/38/94/804223894.db2.gz OFJJMPJGWMYLQU-CZUORRHYSA-N 2 1 296.405 3.014 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246240727 804232075 /nfs/dbraw/zinc/23/20/75/804232075.db2.gz WPZNKTQJIGOBII-SMDDNHRTSA-N 2 1 264.800 3.059 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]C(C)(C)c1ccccc1Br ZINC001246254439 804239066 /nfs/dbraw/zinc/23/90/66/804239066.db2.gz QKRUZFFWBSXLQG-NSHDSACASA-N 2 1 299.256 3.272 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001246270121 804248000 /nfs/dbraw/zinc/24/80/00/804248000.db2.gz SUNGYXMROUVCEI-YLJYHZDGSA-N 2 1 296.458 3.476 20 0 CGADMP CCNCC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246273723 804249392 /nfs/dbraw/zinc/24/93/92/804249392.db2.gz SDUOGPMPSZGCCD-GFCCVEGCSA-N 2 1 287.234 3.050 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246273723 804249403 /nfs/dbraw/zinc/24/94/03/804249403.db2.gz SDUOGPMPSZGCCD-GFCCVEGCSA-N 2 1 287.234 3.050 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1F ZINC001246276211 804253222 /nfs/dbraw/zinc/25/32/22/804253222.db2.gz KSDCBGPGGUUNKE-WOSRLPQWSA-N 2 1 264.388 3.397 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C2(C[NH3+])CCCC2)cc1 ZINC001246285643 804260308 /nfs/dbraw/zinc/26/03/08/804260308.db2.gz IPDZAZWXAINWRZ-AWEZNQCLSA-N 2 1 260.425 3.041 20 0 CGADMP Fc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001246304392 804269435 /nfs/dbraw/zinc/26/94/35/804269435.db2.gz CIMUQBJTFASEJN-DVJFUJMWSA-N 2 1 274.383 3.149 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC001246324578 804282194 /nfs/dbraw/zinc/28/21/94/804282194.db2.gz FOQSHRSMUIBHOK-DZKIICNBSA-N 2 1 278.465 3.063 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246331258 804286767 /nfs/dbraw/zinc/28/67/67/804286767.db2.gz NKJOIMSCDODTJL-JQHSSLGASA-N 2 1 274.452 3.376 20 0 CGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001246331931 804287770 /nfs/dbraw/zinc/28/77/70/804287770.db2.gz OXRIGCHFZNCFOK-BBRMVZONSA-N 2 1 292.854 3.175 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC001246342075 804295094 /nfs/dbraw/zinc/29/50/94/804295094.db2.gz DZAHXGOUNUFYEP-VXGBXAGGSA-N 2 1 266.816 3.267 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246344947 804295586 /nfs/dbraw/zinc/29/55/86/804295586.db2.gz LKHVBORTGPIONL-YGRLFVJLSA-N 2 1 286.822 3.373 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(F)c1 ZINC001246347391 804298065 /nfs/dbraw/zinc/29/80/65/804298065.db2.gz KIJMLDJAPPTMMF-CZUORRHYSA-N 2 1 294.414 3.091 20 0 CGADMP CCCC[C@@H](C)[NH2+]C1(c2ccccc2OC)CC[NH2+]CC1 ZINC001246377921 804312151 /nfs/dbraw/zinc/31/21/51/804312151.db2.gz SGEKXRCWZUNJAK-OAHLLOKOSA-N 2 1 290.451 3.442 20 0 CGADMP FC1(F)CCC(CC2CC2)([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246405476 804324517 /nfs/dbraw/zinc/32/45/17/804324517.db2.gz LDEAJFUKYMDCFR-ZDUSSCGKSA-N 2 1 272.383 3.076 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246407668 804324592 /nfs/dbraw/zinc/32/45/92/804324592.db2.gz SIDGFCDXETVBLA-TZMCWYRMSA-N 2 1 286.410 3.465 20 0 CGADMP CCC[C@H](C)[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246438222 804333369 /nfs/dbraw/zinc/33/33/69/804333369.db2.gz RNKVVZNPSNKION-ZDUSSCGKSA-N 2 1 264.388 3.183 20 0 CGADMP CCC[C@@]1(C[NH2+][C@H](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246457267 804338975 /nfs/dbraw/zinc/33/89/75/804338975.db2.gz RMTSBQDHUXXWQV-CJNGLKHVSA-N 2 1 280.843 3.393 20 0 CGADMP CCCCCC1CCC([NH2+][C@H]2C[NH2+][C@H](COC)C2)CC1 ZINC001246467973 804345566 /nfs/dbraw/zinc/34/55/66/804345566.db2.gz WKTFVWNEOINJSB-BACDZXNISA-N 2 1 282.472 3.092 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)C[C@@H]1C ZINC001246485003 804356252 /nfs/dbraw/zinc/35/62/52/804356252.db2.gz GHWRVIVJCWNTMX-RQJABVFESA-N 2 1 274.399 3.036 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246496302 804361393 /nfs/dbraw/zinc/36/13/93/804361393.db2.gz LJOAXTQGEUWMMG-SNXQWQLTSA-N 2 1 298.474 3.401 20 0 CGADMP C1[C@H]2C[NH2+]C[C@@H]([NH2+][C@H]3CCCC4(CCCCC4)C3)[C@@H]12 ZINC001246504045 804363989 /nfs/dbraw/zinc/36/39/89/804363989.db2.gz PDVZZSYXSSJAMS-YHUYYLMFSA-N 2 1 262.441 3.077 20 0 CGADMP c1ccc2c(c1)CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246518966 804371673 /nfs/dbraw/zinc/37/16/73/804371673.db2.gz JOFKTJFZBBUWSI-UHFFFAOYSA-N 2 1 284.447 3.357 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246520186 804374528 /nfs/dbraw/zinc/37/45/28/804374528.db2.gz RNKZWHVXISXZMZ-UXHICEINSA-N 2 1 294.442 3.482 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC001246521225 804376166 /nfs/dbraw/zinc/37/61/66/804376166.db2.gz YHPCYWDSSFZIPR-MRXNPFEDSA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531779 804382575 /nfs/dbraw/zinc/38/25/75/804382575.db2.gz FSFFONZKKCTHTI-IAGOWNOFSA-N 2 1 272.436 3.211 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531779 804382581 /nfs/dbraw/zinc/38/25/81/804382581.db2.gz FSFFONZKKCTHTI-IAGOWNOFSA-N 2 1 272.436 3.211 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246531076 804382685 /nfs/dbraw/zinc/38/26/85/804382685.db2.gz MLPJZSZSDSEBNW-ZSHCYNCHSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246531174 804383455 /nfs/dbraw/zinc/38/34/55/804383455.db2.gz NKMNSGBKACLLMW-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+][C@@H]1C[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC12CC2 ZINC001246535138 804383673 /nfs/dbraw/zinc/38/36/73/804383673.db2.gz WFDSEDBZGRBODY-IXDOHACOSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@H]1C[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC12CC2 ZINC001246535138 804383681 /nfs/dbraw/zinc/38/36/81/804383681.db2.gz WFDSEDBZGRBODY-IXDOHACOSA-N 2 1 270.420 3.136 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246537079 804385038 /nfs/dbraw/zinc/38/50/38/804385038.db2.gz JJNFNZRXATWNLM-WFFDWFOESA-N 2 1 270.420 3.415 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246538821 804388485 /nfs/dbraw/zinc/38/84/85/804388485.db2.gz OFMFDEBGURHIQK-PVAVHDDUSA-N 2 1 258.409 3.272 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccncc2)cc1 ZINC001140168228 804393123 /nfs/dbraw/zinc/39/31/23/804393123.db2.gz VCVFYUQDROILPN-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccncc2)cc1 ZINC001140168228 804393132 /nfs/dbraw/zinc/39/31/32/804393132.db2.gz VCVFYUQDROILPN-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)Cc2ccccc21 ZINC001246545001 804393737 /nfs/dbraw/zinc/39/37/37/804393737.db2.gz FWVKYNKIMNECCH-CQSZACIVSA-N 2 1 270.420 3.138 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@H](C(C)C)C1)C2 ZINC001246549521 804398482 /nfs/dbraw/zinc/39/84/82/804398482.db2.gz SJQWNVVMZAFKSM-WMZOPIPTSA-N 2 1 272.436 3.130 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246552293 804402644 /nfs/dbraw/zinc/40/26/44/804402644.db2.gz YAQTVEVIIKMYLO-DJIMGWMZSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246552293 804402645 /nfs/dbraw/zinc/40/26/45/804402645.db2.gz YAQTVEVIIKMYLO-DJIMGWMZSA-N 2 1 258.409 3.354 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001246552931 804402681 /nfs/dbraw/zinc/40/26/81/804402681.db2.gz WFTVWYOZRNCKRF-WXRRBKDZSA-N 2 1 296.352 3.260 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246555338 804403979 /nfs/dbraw/zinc/40/39/79/804403979.db2.gz DPQRYAPLBUUWEV-IJEWVQPXSA-N 2 1 278.415 3.064 20 0 CGADMP C[C@H]1CC[N@H+](C2CC(C)(C)OC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246558137 804406415 /nfs/dbraw/zinc/40/64/15/804406415.db2.gz MEFJBUDRHBAHEX-UONOGXRCSA-N 2 1 282.472 3.029 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CCC1(F)F ZINC001246557087 804406540 /nfs/dbraw/zinc/40/65/40/804406540.db2.gz LAIKUALGHPVFTK-OAGGEKHMSA-N 2 1 294.389 3.239 20 0 CGADMP c1ccc([C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246558210 804407438 /nfs/dbraw/zinc/40/74/38/804407438.db2.gz PHXJHMUCXCTNQU-MSOLQXFVSA-N 2 1 284.447 3.398 20 0 CGADMP C[N@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246558854 804408594 /nfs/dbraw/zinc/40/85/94/804408594.db2.gz ABRIFYNPCWXRQX-CVEARBPZSA-N 2 1 278.415 3.424 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246558854 804408597 /nfs/dbraw/zinc/40/85/97/804408597.db2.gz ABRIFYNPCWXRQX-CVEARBPZSA-N 2 1 278.415 3.424 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246562568 804411910 /nfs/dbraw/zinc/41/19/10/804411910.db2.gz YLOJQEAXWKBZRP-OLZOCXBDSA-N 2 1 262.388 3.261 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576379 804422339 /nfs/dbraw/zinc/42/23/39/804422339.db2.gz JYCWZAKZOKLBQF-DLBZAZTESA-N 2 1 278.415 3.161 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576379 804422346 /nfs/dbraw/zinc/42/23/46/804422346.db2.gz JYCWZAKZOKLBQF-DLBZAZTESA-N 2 1 278.415 3.161 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CCCC3)CC2)CC[C@@H]1F ZINC001246574485 804422838 /nfs/dbraw/zinc/42/28/38/804422838.db2.gz YFEGDZXFYXYDGB-LSDHHAIUSA-N 2 1 268.420 3.251 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CCCC3)CC2)CC[C@@H]1F ZINC001246574485 804422840 /nfs/dbraw/zinc/42/28/40/804422840.db2.gz YFEGDZXFYXYDGB-LSDHHAIUSA-N 2 1 268.420 3.251 20 0 CGADMP COc1cccc(C[C@H](C)[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001246587042 804429784 /nfs/dbraw/zinc/42/97/84/804429784.db2.gz VEKZFWMHKBBTNA-MAUKXSAKSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246589825 804431281 /nfs/dbraw/zinc/43/12/81/804431281.db2.gz GVIIGMUYRHGGNG-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[N@@H+](C1CCC(C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC001246592573 804433744 /nfs/dbraw/zinc/43/37/44/804433744.db2.gz KOBUNZUGBASNOB-HWOWSKLDSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246592386 804433783 /nfs/dbraw/zinc/43/37/83/804433783.db2.gz QLKHEVFAYSSLMK-HZSPNIEDSA-N 2 1 280.843 3.330 20 0 CGADMP C[C@]1(F)CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1F ZINC001246591804 804434124 /nfs/dbraw/zinc/43/41/24/804434124.db2.gz XSLZFWODBCSSAO-FYRZTWFESA-N 2 1 286.410 3.071 20 0 CGADMP CC(C)[N@@H+]([C@H]1CCC(C)(C)C1)[C@H]1CCC[NH2+]CC1 ZINC001246597608 804437334 /nfs/dbraw/zinc/43/73/34/804437334.db2.gz XSAZPJHJVMBJQJ-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@@]23CCC[NH2+]C3)C[C@H](C)C1 ZINC001246606250 804441484 /nfs/dbraw/zinc/44/14/84/804441484.db2.gz DJDFKLRVHHASLF-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP Nc1[nH+]cccc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001212399514 815018451 /nfs/dbraw/zinc/01/84/51/815018451.db2.gz DBJVRGLWPXHKPR-UHFFFAOYSA-N 2 1 268.364 3.003 20 0 CGADMP COc1cc(F)cc(C[N@@H+](C(C)C)C2CCN(C)CC2)c1 ZINC001140481726 804445757 /nfs/dbraw/zinc/44/57/57/804445757.db2.gz CFBYKEHAIBVYQQ-UHFFFAOYSA-N 2 1 294.414 3.139 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246611655 804447159 /nfs/dbraw/zinc/44/71/59/804447159.db2.gz VBTHNTLVJYEOPI-DOTOQJQBSA-N 2 1 264.457 3.421 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246612951 804447545 /nfs/dbraw/zinc/44/75/45/804447545.db2.gz JIWRURSTLGQISI-IAGOWNOFSA-N 2 1 296.499 3.149 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@]4(C3)CCC[NH2+]C4)C2)cc1 ZINC001246613876 804448383 /nfs/dbraw/zinc/44/83/83/804448383.db2.gz ZJEYLJGIXLHPLR-GUDVDZBRSA-N 2 1 284.447 3.398 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)C[C@@H](C)C1 ZINC001246616286 804449710 /nfs/dbraw/zinc/44/97/10/804449710.db2.gz VDOGFEKNIKNOAB-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246622037 804455257 /nfs/dbraw/zinc/45/52/57/804455257.db2.gz MRUAVEJOIDYUOZ-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246622037 804455259 /nfs/dbraw/zinc/45/52/59/804455259.db2.gz MRUAVEJOIDYUOZ-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246623609 804455407 /nfs/dbraw/zinc/45/54/07/804455407.db2.gz AWMBIEOANFNTGL-SJLPKXTDSA-N 2 1 272.436 3.002 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629020 804460780 /nfs/dbraw/zinc/46/07/80/804460780.db2.gz MOHIHVQAFPSJRF-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246629528 804461052 /nfs/dbraw/zinc/46/10/52/804461052.db2.gz FXAYKEFVNKLBBU-NVXWUHKLSA-N 2 1 290.476 3.161 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246633555 804464000 /nfs/dbraw/zinc/46/40/00/804464000.db2.gz DXJUGLKERGKESP-RCCFBDPRSA-N 2 1 272.436 3.224 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246633555 804464001 /nfs/dbraw/zinc/46/40/01/804464001.db2.gz DXJUGLKERGKESP-RCCFBDPRSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246632948 804464011 /nfs/dbraw/zinc/46/40/11/804464011.db2.gz IUIMAZOSLREXCK-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246634539 804464048 /nfs/dbraw/zinc/46/40/48/804464048.db2.gz ODGDUIPOHOLOLR-UYAOXDASSA-N 2 1 298.474 3.460 20 0 CGADMP C1C[C@]2(CC[N@@H+](C3CCC4(CCCCC4)CC3)C2)[NH2+]1 ZINC001246638295 804465757 /nfs/dbraw/zinc/46/57/57/804465757.db2.gz RSDCWMCYUXEETH-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP C1C[C@]2(CC[N@H+](C3CCC4(CCCCC4)CC3)C2)[NH2+]1 ZINC001246638295 804465759 /nfs/dbraw/zinc/46/57/59/804465759.db2.gz RSDCWMCYUXEETH-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246639190 804467987 /nfs/dbraw/zinc/46/79/87/804467987.db2.gz NVKURCZHUVOMFG-INIZCTEOSA-N 2 1 272.436 3.002 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644462 804472279 /nfs/dbraw/zinc/47/22/79/804472279.db2.gz QBHRSLKRSURDKU-JKSUJKDBSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644462 804472282 /nfs/dbraw/zinc/47/22/82/804472282.db2.gz QBHRSLKRSURDKU-JKSUJKDBSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246646346 804474252 /nfs/dbraw/zinc/47/42/52/804474252.db2.gz YPRIIOQYRZQRSW-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246646346 804474254 /nfs/dbraw/zinc/47/42/54/804474254.db2.gz YPRIIOQYRZQRSW-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP C1C[C@H]2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@H]2[NH2+]1 ZINC001246649450 804476749 /nfs/dbraw/zinc/47/67/49/804476749.db2.gz ZLFWJIAUFMJLMZ-ARFHVFGLSA-N 2 1 262.441 3.173 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246649570 804476932 /nfs/dbraw/zinc/47/69/32/804476932.db2.gz PJWCOONLPDCPLG-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246649570 804476936 /nfs/dbraw/zinc/47/69/36/804476936.db2.gz PJWCOONLPDCPLG-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246648849 804477583 /nfs/dbraw/zinc/47/75/83/804477583.db2.gz RUXGSQFCEVQOAW-HNNXBMFYSA-N 2 1 290.426 3.365 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246648938 804477681 /nfs/dbraw/zinc/47/76/81/804477681.db2.gz UTTNGDPHGGBUJW-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246653832 804480887 /nfs/dbraw/zinc/48/08/87/804480887.db2.gz ABFHFVYLEOQNRN-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCCC23CC[NH2+]CC3)C1 ZINC001246656530 804481908 /nfs/dbraw/zinc/48/19/08/804481908.db2.gz UQKFWHMALSLJJA-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C1 ZINC001246657519 804482258 /nfs/dbraw/zinc/48/22/58/804482258.db2.gz QZIALHABFLDPIV-OBJOEFQTSA-N 2 1 290.373 3.039 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246660849 804483312 /nfs/dbraw/zinc/48/33/12/804483312.db2.gz PHPJQYUFXAXLRR-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246660849 804483314 /nfs/dbraw/zinc/48/33/14/804483314.db2.gz PHPJQYUFXAXLRR-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246660850 804483636 /nfs/dbraw/zinc/48/36/36/804483636.db2.gz PHPJQYUFXAXLRR-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246660850 804483643 /nfs/dbraw/zinc/48/36/43/804483643.db2.gz PHPJQYUFXAXLRR-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246680779 804494207 /nfs/dbraw/zinc/49/42/07/804494207.db2.gz LFNOGNJVSJIVHA-HLLBOEOZSA-N 2 1 258.409 3.272 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001246683160 804495899 /nfs/dbraw/zinc/49/58/99/804495899.db2.gz ZTGCTCHUCKYCAL-HNNXBMFYSA-N 2 1 274.452 3.111 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246685739 804496202 /nfs/dbraw/zinc/49/62/02/804496202.db2.gz BDWBTAIPRRMSPZ-HRCADAONSA-N 2 1 270.436 3.369 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246695963 804499405 /nfs/dbraw/zinc/49/94/05/804499405.db2.gz UHPJGHBPLZAJOG-WBVHZDCISA-N 2 1 290.451 3.294 20 0 CGADMP CC[C@@H]1CC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)C[C@@H](CC)[NH2+]1 ZINC001246756904 804500796 /nfs/dbraw/zinc/50/07/96/804500796.db2.gz AMERWRNYBORYNW-WGMGUUHVSA-N 2 1 294.483 3.043 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246770281 804502312 /nfs/dbraw/zinc/50/23/12/804502312.db2.gz PKIRBXQFJBLYER-LSDHHAIUSA-N 2 1 266.816 3.302 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246770292 804502652 /nfs/dbraw/zinc/50/26/52/804502652.db2.gz PTBDYMPSGDGFNZ-QGZVFWFLSA-N 2 1 272.436 3.349 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246779689 804507510 /nfs/dbraw/zinc/50/75/10/804507510.db2.gz SYLUTWJZEHEIMM-KRWDZBQOSA-N 2 1 280.415 3.414 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3CCCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246789679 804514371 /nfs/dbraw/zinc/51/43/71/804514371.db2.gz FAUJSJMWIMWBAG-ZWKOTPCHSA-N 2 1 284.447 3.398 20 0 CGADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246791972 804515369 /nfs/dbraw/zinc/51/53/69/804515369.db2.gz ZLJXZBBXPNVDMU-PBHICJAKSA-N 2 1 276.399 3.495 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](CC2CC2)C(C)C)CC[NH2+]1 ZINC001246791642 804515522 /nfs/dbraw/zinc/51/55/22/804515522.db2.gz RDCIVINOXLSYNQ-HOTGVXAUSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246793761 804518080 /nfs/dbraw/zinc/51/80/80/804518080.db2.gz DKXNOHDIAKDSGH-GJZGRUSLSA-N 2 1 266.816 3.302 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246798209 804519117 /nfs/dbraw/zinc/51/91/17/804519117.db2.gz QKPMGRCGJJCQKX-AWEZNQCLSA-N 2 1 278.415 3.078 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246799738 804520918 /nfs/dbraw/zinc/52/09/18/804520918.db2.gz ATPNONWXJJUHDS-KYJSFNMBSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@H]1CCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246803488 804523914 /nfs/dbraw/zinc/52/39/14/804523914.db2.gz KZGQQULDRWWSCQ-GJZGRUSLSA-N 2 1 250.430 3.316 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[C@@H](C)C1 ZINC001246809873 804527308 /nfs/dbraw/zinc/52/73/08/804527308.db2.gz LDNKMQXAGKSOFD-QXSJWSMHSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccsc2)C[C@H](CC)[NH2+]1 ZINC001246813246 804529779 /nfs/dbraw/zinc/52/97/79/804529779.db2.gz HKWXBYUTLRNGPQ-QDMKHBRRSA-N 2 1 266.454 3.489 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)C[C@H](CC)[NH2+]1 ZINC001246813246 804529784 /nfs/dbraw/zinc/52/97/84/804529784.db2.gz HKWXBYUTLRNGPQ-QDMKHBRRSA-N 2 1 266.454 3.489 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC001246819877 804534003 /nfs/dbraw/zinc/53/40/03/804534003.db2.gz KVWKHOKWMFQVOF-LVQVYYBASA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC001246819877 804534008 /nfs/dbraw/zinc/53/40/08/804534008.db2.gz KVWKHOKWMFQVOF-LVQVYYBASA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246820534 804535275 /nfs/dbraw/zinc/53/52/75/804535275.db2.gz GVDFRYAFISKYPW-BJWYYQGGSA-N 2 1 292.854 3.487 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C)CCc2ccccc2Cl)CC[NH2+]1 ZINC001246824118 804536934 /nfs/dbraw/zinc/53/69/34/804536934.db2.gz QCQAWEAGLTYSPE-LSDHHAIUSA-N 2 1 280.843 3.345 20 0 CGADMP C1CC2(C1)CC[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246829541 804540046 /nfs/dbraw/zinc/54/00/46/804540046.db2.gz LGDOXCSHLDJTKD-HNNXBMFYSA-N 2 1 262.441 3.317 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC001246829532 804540122 /nfs/dbraw/zinc/54/01/22/804540122.db2.gz KWSYJQJSDHIRTP-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@@H](c3cccc(F)c3)C2)C[C@@H](C)[NH2+]1 ZINC001246831220 804540814 /nfs/dbraw/zinc/54/08/14/804540814.db2.gz BZPDRBRYJRBKGW-UMVBOHGHSA-N 2 1 276.399 3.144 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246834830 804542272 /nfs/dbraw/zinc/54/22/72/804542272.db2.gz HGMFZTZLBCUGSK-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP COCCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246838644 804545749 /nfs/dbraw/zinc/54/57/49/804545749.db2.gz ZLNVOGIBUJDTTG-DOTOQJQBSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246840113 804548375 /nfs/dbraw/zinc/54/83/75/804548375.db2.gz FEWMIEGHEANRMB-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839920 804548441 /nfs/dbraw/zinc/54/84/41/804548441.db2.gz LIHYZLZUFVKXKW-SJORKVTESA-N 2 1 278.415 3.424 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246842320 804549882 /nfs/dbraw/zinc/54/98/82/804549882.db2.gz YLLPSAPPGLNSEF-SJLPKXTDSA-N 2 1 290.451 3.294 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246842415 804550459 /nfs/dbraw/zinc/55/04/59/804550459.db2.gz RHEVEIMHPJWPGP-MOPGFXCFSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246844192 804551592 /nfs/dbraw/zinc/55/15/92/804551592.db2.gz XVARZRKIJPIHQA-DGXTUMSLSA-N 2 1 252.446 3.116 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246843290 804551771 /nfs/dbraw/zinc/55/17/71/804551771.db2.gz VPAUVIFKBKEIOS-XHSDSOJGSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246845977 804554875 /nfs/dbraw/zinc/55/48/75/804554875.db2.gz MLUUTYXOESKPNO-AGGWBTHJSA-N 2 1 264.388 3.177 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246845977 804554880 /nfs/dbraw/zinc/55/48/80/804554880.db2.gz MLUUTYXOESKPNO-AGGWBTHJSA-N 2 1 264.388 3.177 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001246847243 804555814 /nfs/dbraw/zinc/55/58/14/804555814.db2.gz ROYCGZPOYPJKIG-VVLHAWIVSA-N 2 1 262.441 3.031 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246847339 804556727 /nfs/dbraw/zinc/55/67/27/804556727.db2.gz TYJFXVDGRPGLSO-AWEZNQCLSA-N 2 1 264.457 3.277 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001246848690 804557941 /nfs/dbraw/zinc/55/79/41/804557941.db2.gz CNCWZVXPJVVFFQ-GXTWGEPZSA-N 2 1 266.816 3.127 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)CSc2ccc(Cl)cc2)C1 ZINC001246863143 804567137 /nfs/dbraw/zinc/56/71/37/804567137.db2.gz KAIVCBPYOJEPFJ-OLZOCXBDSA-N 2 1 298.883 3.362 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](Cc2ccccc2)CC(C)C)C1 ZINC001246864922 804570078 /nfs/dbraw/zinc/57/00/78/804570078.db2.gz QHBWRDXYMCKARF-MSOLQXFVSA-N 2 1 274.452 3.185 20 0 CGADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)C2 ZINC001246874082 804574571 /nfs/dbraw/zinc/57/45/71/804574571.db2.gz VRGPPVSCCBPJPF-VVBDHPJYSA-N 2 1 290.838 3.399 20 0 CGADMP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)C2 ZINC001246874082 804574575 /nfs/dbraw/zinc/57/45/75/804574575.db2.gz VRGPPVSCCBPJPF-VVBDHPJYSA-N 2 1 290.838 3.399 20 0 CGADMP CC[C@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246876676 804575202 /nfs/dbraw/zinc/57/52/02/804575202.db2.gz HIYGGMQNRJHIPI-NQYYFHDYSA-N 2 1 284.447 3.038 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001246895480 804585212 /nfs/dbraw/zinc/58/52/12/804585212.db2.gz TZQYBBFZUOFBCC-SFHVURJKSA-N 2 1 290.426 3.147 20 0 CGADMP C[N@@H+](Cc1cocn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141130489 804593212 /nfs/dbraw/zinc/59/32/12/804593212.db2.gz QGNUQRJCPXGJMF-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP C[N@H+](Cc1cocn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141130489 804593218 /nfs/dbraw/zinc/59/32/18/804593218.db2.gz QGNUQRJCPXGJMF-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C2(C)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246909749 804593690 /nfs/dbraw/zinc/59/36/90/804593690.db2.gz KKFGDKWMSDVDHE-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+]([C@@H]1CCc2cccc(Cl)c2C1)C1(C)CC[NH2+]CC1 ZINC001246914056 804596385 /nfs/dbraw/zinc/59/63/85/804596385.db2.gz YNGJIFPDAPPVRQ-CQSZACIVSA-N 2 1 292.854 3.271 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246919769 804600578 /nfs/dbraw/zinc/60/05/78/804600578.db2.gz KQNZPHUEJAHIDZ-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]1C[C@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246919769 804600581 /nfs/dbraw/zinc/60/05/81/804600581.db2.gz KQNZPHUEJAHIDZ-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC(CCCCC)[N@@H+]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001246919240 804600764 /nfs/dbraw/zinc/60/07/64/804600764.db2.gz FXKXTRKHJGPKHT-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001246919240 804600767 /nfs/dbraw/zinc/60/07/67/804600767.db2.gz FXKXTRKHJGPKHT-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP C1CC[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[C@H]2C1 ZINC001246921639 804601678 /nfs/dbraw/zinc/60/16/78/804601678.db2.gz SJPODRXIJSBZQH-MTSZKFMLSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[C@H]2C1 ZINC001246921639 804601684 /nfs/dbraw/zinc/60/16/84/804601684.db2.gz SJPODRXIJSBZQH-MTSZKFMLSA-N 2 1 262.441 3.172 20 0 CGADMP CSCC[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924576 804604274 /nfs/dbraw/zinc/60/42/74/804604274.db2.gz NAGUPGRPFJNLGX-DOTOQJQBSA-N 2 1 292.492 3.382 20 0 CGADMP CSCC[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924576 804604278 /nfs/dbraw/zinc/60/42/78/804604278.db2.gz NAGUPGRPFJNLGX-DOTOQJQBSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246928755 804605273 /nfs/dbraw/zinc/60/52/73/804605273.db2.gz BYWVNEBNDLBEEY-BMFZPTHFSA-N 2 1 292.854 3.202 20 0 CGADMP CCCCCC[C@H](CC)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927644 804605609 /nfs/dbraw/zinc/60/56/09/804605609.db2.gz HTGKLWURSSDHLS-DLBZAZTESA-N 2 1 284.488 3.436 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927644 804605614 /nfs/dbraw/zinc/60/56/14/804605614.db2.gz HTGKLWURSSDHLS-DLBZAZTESA-N 2 1 284.488 3.436 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1 ZINC001141196806 804609514 /nfs/dbraw/zinc/60/95/14/804609514.db2.gz VIQNLRGEPONHCB-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP CSCC[C@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246946558 804613772 /nfs/dbraw/zinc/61/37/72/804613772.db2.gz NUAAOLXRMXWLBJ-ZDUSSCGKSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246978532 804626197 /nfs/dbraw/zinc/62/61/97/804626197.db2.gz VWXDFFJNRBHWGH-FTYZYXLQSA-N 2 1 296.817 3.079 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246981069 804627909 /nfs/dbraw/zinc/62/79/09/804627909.db2.gz UDRNMXHPWWGNNV-OALUTQOASA-N 2 1 298.474 3.473 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccc(C)cc2C1 ZINC001246997656 804633247 /nfs/dbraw/zinc/63/32/47/804633247.db2.gz WZSNPDGLIYNABR-APWZRJJASA-N 2 1 286.463 3.174 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001247003360 804635673 /nfs/dbraw/zinc/63/56/73/804635673.db2.gz OKGPULJGZBBQBJ-NSHDSACASA-N 2 1 297.240 3.194 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)C1 ZINC001247016133 804643479 /nfs/dbraw/zinc/64/34/79/804643479.db2.gz RTEQCAXLOPPFRX-ZBFHGGJFSA-N 2 1 270.420 3.270 20 0 CGADMP C[C@@H]1CC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC001257100503 807051029 /nfs/dbraw/zinc/05/10/29/807051029.db2.gz XGPVOZGFRBVRCC-WCXIOVBPSA-N 2 1 294.483 3.281 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1Cl ZINC001250203136 805487306 /nfs/dbraw/zinc/48/73/06/805487306.db2.gz BTHKUQQPQJEYKD-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1Cl ZINC001250203136 805487311 /nfs/dbraw/zinc/48/73/11/805487311.db2.gz BTHKUQQPQJEYKD-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1Cl ZINC001250203136 805487313 /nfs/dbraw/zinc/48/73/13/805487313.db2.gz BTHKUQQPQJEYKD-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1Cl ZINC001250203136 805487317 /nfs/dbraw/zinc/48/73/17/805487317.db2.gz BTHKUQQPQJEYKD-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP c1cc(N2CCC([N@H+]3CCC34CCCC4)CC2)cc[nH+]1 ZINC001256856592 806992700 /nfs/dbraw/zinc/99/27/00/806992700.db2.gz LOIMVLZXXPOYDR-UHFFFAOYSA-N 2 1 271.408 3.069 20 0 CGADMP Cc1cccc(C2([NH2+]C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC001257212886 807062577 /nfs/dbraw/zinc/06/25/77/807062577.db2.gz FFJYEKBTRFWEIK-UHFFFAOYSA-N 2 1 272.436 3.447 20 0 CGADMP CCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001257358321 807122087 /nfs/dbraw/zinc/12/20/87/807122087.db2.gz ZNZMZNHUAGNXJJ-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001257358321 807122089 /nfs/dbraw/zinc/12/20/89/807122089.db2.gz ZNZMZNHUAGNXJJ-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@H](CC)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001257422250 807147426 /nfs/dbraw/zinc/14/74/26/807147426.db2.gz SXCVDMSERZUSPM-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001257433118 807153909 /nfs/dbraw/zinc/15/39/09/807153909.db2.gz DIWWIIBAZLHOCF-LBPRGKRZSA-N 2 1 266.816 3.388 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257475732 807174943 /nfs/dbraw/zinc/17/49/43/807174943.db2.gz DINVRRUKRABCSC-XWTMOSNGSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257475732 807174950 /nfs/dbraw/zinc/17/49/50/807174950.db2.gz DINVRRUKRABCSC-XWTMOSNGSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001257475732 807174951 /nfs/dbraw/zinc/17/49/51/807174951.db2.gz DINVRRUKRABCSC-XWTMOSNGSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001257475732 807174958 /nfs/dbraw/zinc/17/49/58/807174958.db2.gz DINVRRUKRABCSC-XWTMOSNGSA-N 2 1 296.499 3.244 20 0 CGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001257505753 807184606 /nfs/dbraw/zinc/18/46/06/807184606.db2.gz YJZNKXQNPBESCB-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001257505753 807184608 /nfs/dbraw/zinc/18/46/08/807184608.db2.gz YJZNKXQNPBESCB-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001257504756 807184816 /nfs/dbraw/zinc/18/48/16/807184816.db2.gz NOCSOVWXAIBIQH-OAHLLOKOSA-N 2 1 275.440 3.300 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001167824719 807255614 /nfs/dbraw/zinc/25/56/14/807255614.db2.gz FVOUQBYEZWXBSC-WMZOPIPTSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOc2ccccc2C1 ZINC001167824245 807255750 /nfs/dbraw/zinc/25/57/50/807255750.db2.gz CUNNJTLKWFMDHT-MRXNPFEDSA-N 2 1 290.451 3.392 20 0 CGADMP CC(C)[N@H+]([C@H]1COc2ccc(Cl)cc2C1)C(C)(C)C[NH3+] ZINC001257958936 807255837 /nfs/dbraw/zinc/25/58/37/807255837.db2.gz HRPFTXPROBAMHR-CQSZACIVSA-N 2 1 296.842 3.091 20 0 CGADMP CC(C)[N@@H+]([C@H]1COc2ccc(Cl)cc2C1)C(C)(C)C[NH3+] ZINC001257958936 807255841 /nfs/dbraw/zinc/25/58/41/807255841.db2.gz HRPFTXPROBAMHR-CQSZACIVSA-N 2 1 296.842 3.091 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)Cc1cccnc1 ZINC001167824180 807256121 /nfs/dbraw/zinc/25/61/21/807256121.db2.gz CLYHKFQKSRVXQQ-MRXNPFEDSA-N 2 1 277.456 3.414 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1ccncc1 ZINC001167826031 807256412 /nfs/dbraw/zinc/25/64/12/807256412.db2.gz MBUGCUWCIRBABS-INIZCTEOSA-N 2 1 277.456 3.066 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1nccs1 ZINC001167838072 807258659 /nfs/dbraw/zinc/25/86/59/807258659.db2.gz PHQBPVXZSCCIPR-CYBMUJFWSA-N 2 1 269.458 3.085 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC2CCC1CC2 ZINC001167837775 807259418 /nfs/dbraw/zinc/25/94/18/807259418.db2.gz MNHLJOSYHKDIEU-QQFBHYJXSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cnc1Cl ZINC001258003726 807262781 /nfs/dbraw/zinc/26/27/81/807262781.db2.gz SBBVPUFSJYJSCA-UHFFFAOYSA-N 2 1 295.858 3.253 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258062569 807283599 /nfs/dbraw/zinc/28/35/99/807283599.db2.gz KLYPQMRGKBHKDW-ZIAGYGMSSA-N 2 1 251.418 3.408 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001258061117 807283997 /nfs/dbraw/zinc/28/39/97/807283997.db2.gz FXOHZRYOPGKCQS-XUWVNRHRSA-N 2 1 254.462 3.377 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001258061117 807284002 /nfs/dbraw/zinc/28/40/02/807284002.db2.gz FXOHZRYOPGKCQS-XUWVNRHRSA-N 2 1 254.462 3.377 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258068238 807287729 /nfs/dbraw/zinc/28/77/29/807287729.db2.gz VMSCBKCRQUJJOI-JKSUJKDBSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)(C)C ZINC001167964734 807288486 /nfs/dbraw/zinc/28/84/86/807288486.db2.gz WYRCDUYRKCAKGW-WWTUQBGBSA-N 2 1 264.457 3.416 20 0 CGADMP FC1(F)CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962383 807288634 /nfs/dbraw/zinc/28/86/34/807288634.db2.gz XFTRDHVYTAJADX-HNSVSWJLSA-N 2 1 298.421 3.417 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCCCC13CC3)C2 ZINC001167994991 807294911 /nfs/dbraw/zinc/29/49/11/807294911.db2.gz SNAQXQNIVYPYEW-SJPCQFCGSA-N 2 1 274.452 3.410 20 0 CGADMP CCOC(=O)CCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258111851 807312617 /nfs/dbraw/zinc/31/26/17/807312617.db2.gz DYNFKFOOAVPIKF-BZUAXINKSA-N 2 1 298.471 3.089 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@H]3C3CC3)CC2)cc1 ZINC001258139317 807318938 /nfs/dbraw/zinc/31/89/38/807318938.db2.gz GKGLPXOKEUEAAL-OALUTQOASA-N 2 1 284.447 3.082 20 0 CGADMP Cc1c[nH+]c(NC2(C)CC[NH2+]CC2)c2ccccc12 ZINC001168183570 807336588 /nfs/dbraw/zinc/33/65/88/807336588.db2.gz GNGVLCAYLUKFLB-UHFFFAOYSA-N 2 1 255.365 3.097 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001168191495 807342648 /nfs/dbraw/zinc/34/26/48/807342648.db2.gz FUKZHTWHXDKSPT-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001168191495 807342658 /nfs/dbraw/zinc/34/26/58/807342658.db2.gz FUKZHTWHXDKSPT-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001168191495 807342663 /nfs/dbraw/zinc/34/26/63/807342663.db2.gz FUKZHTWHXDKSPT-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@H](Cc1ccco1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001258186162 807348844 /nfs/dbraw/zinc/34/88/44/807348844.db2.gz WZRRZEKKTDACIQ-OAHLLOKOSA-N 2 1 276.424 3.161 20 0 CGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC001168220532 807354837 /nfs/dbraw/zinc/35/48/37/807354837.db2.gz WMMCMDAOWBUUNZ-LEOMRAHMSA-N 2 1 294.483 3.140 20 0 CGADMP CSCC[C@@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001258218848 807371991 /nfs/dbraw/zinc/37/19/91/807371991.db2.gz XGKWLHKVCZFDIV-CYBMUJFWSA-N 2 1 293.480 3.070 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315491 807379689 /nfs/dbraw/zinc/37/96/89/807379689.db2.gz WMTKRRGXCRCEKD-OOHWJJMZSA-N 2 1 272.436 3.479 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC23CCCCC3)CC1 ZINC001168313779 807381308 /nfs/dbraw/zinc/38/13/08/807381308.db2.gz HFPGSLWGVHUYER-UHFFFAOYSA-N 2 1 250.430 3.268 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001168322991 807383045 /nfs/dbraw/zinc/38/30/45/807383045.db2.gz LVBALYJOHCCTSY-ABHNRTSZSA-N 2 1 287.451 3.481 20 0 CGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CCCC(C)(C)C1)CC2 ZINC001258288388 807397957 /nfs/dbraw/zinc/39/79/57/807397957.db2.gz WDSGMQYXUNSYEE-AWEZNQCLSA-N 2 1 293.455 3.085 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)nc1 ZINC001168388700 807401464 /nfs/dbraw/zinc/40/14/64/807401464.db2.gz GMKJZGGURWIVNG-GOSISDBHSA-N 2 1 285.435 3.093 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)nc1 ZINC001168388700 807401468 /nfs/dbraw/zinc/40/14/68/807401468.db2.gz GMKJZGGURWIVNG-GOSISDBHSA-N 2 1 285.435 3.093 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCCC(C)(C)C2)CC1 ZINC001258295167 807401907 /nfs/dbraw/zinc/40/19/07/807401907.db2.gz XWJGJAVRMYVDSZ-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC001258391421 807436743 /nfs/dbraw/zinc/43/67/43/807436743.db2.gz ZVZLVJVQPRJKHK-NVXWUHKLSA-N 2 1 290.451 3.090 20 0 CGADMP CCC1(Nc2ccc3[nH+]c(C)n(C(C)C)c3c2)C[NH2+]C1 ZINC001168581999 807452022 /nfs/dbraw/zinc/45/20/22/807452022.db2.gz DAZZVZLMHYLGJS-UHFFFAOYSA-N 2 1 272.396 3.090 20 0 CGADMP CC[C@@H](C)C[C@@H](C)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168692458 807483405 /nfs/dbraw/zinc/48/34/05/807483405.db2.gz YQRLCWLAYFVMOW-CHWSQXEVSA-N 2 1 286.423 3.258 20 0 CGADMP C[N@@H+]([C@H]1Cc2cccc(Cl)c2C1)C1CCC([NH3+])CC1 ZINC001168693526 807484656 /nfs/dbraw/zinc/48/46/56/807484656.db2.gz SIARQNWFBRMBCD-RUXDESIVSA-N 2 1 278.827 3.009 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CCC[NH3+] ZINC001258649651 807522401 /nfs/dbraw/zinc/52/24/01/807522401.db2.gz NCAXDCYHACLXSR-KRWDZBQOSA-N 2 1 262.441 3.459 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258698583 807551311 /nfs/dbraw/zinc/55/13/11/807551311.db2.gz QYCYHCDYZAASLW-HOCLYGCPSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001169082655 807568781 /nfs/dbraw/zinc/56/87/81/807568781.db2.gz BLWFRZCUNMSSJS-OTWHNJEPSA-N 2 1 286.463 3.137 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001169082655 807568783 /nfs/dbraw/zinc/56/87/83/807568783.db2.gz BLWFRZCUNMSSJS-OTWHNJEPSA-N 2 1 286.463 3.137 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001169082655 807568784 /nfs/dbraw/zinc/56/87/84/807568784.db2.gz BLWFRZCUNMSSJS-OTWHNJEPSA-N 2 1 286.463 3.137 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169096178 807573439 /nfs/dbraw/zinc/57/34/39/807573439.db2.gz VMNZICGZCCPDDQ-OSYLJGHBSA-N 2 1 288.435 3.189 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169096178 807573443 /nfs/dbraw/zinc/57/34/43/807573443.db2.gz VMNZICGZCCPDDQ-OSYLJGHBSA-N 2 1 288.435 3.189 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C2 ZINC001169096194 807573772 /nfs/dbraw/zinc/57/37/72/807573772.db2.gz VOMWFYICLSZREA-QKDCVEJESA-N 2 1 280.362 3.339 20 0 CGADMP C=Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169098423 807575412 /nfs/dbraw/zinc/57/54/12/807575412.db2.gz HYADEEMNMOQAMN-BJWYYQGGSA-N 2 1 256.393 3.044 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099911 807576337 /nfs/dbraw/zinc/57/63/37/807576337.db2.gz WPWGBSPICNBPGO-JONQDZQNSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169100139 807576485 /nfs/dbraw/zinc/57/64/85/807576485.db2.gz HHRVLJUXFCCKEO-NXOAAHMSSA-N 2 1 276.399 3.492 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101213 807578650 /nfs/dbraw/zinc/57/86/50/807578650.db2.gz PGJGATIPFDRWCC-LHHMISFZSA-N 2 1 299.462 3.220 20 0 CGADMP CC[N@H+](C1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123045 807582905 /nfs/dbraw/zinc/58/29/05/807582905.db2.gz IDJQUEHWTLMACV-ZSHCYNCHSA-N 2 1 250.430 3.266 20 0 CGADMP CC[N@@H+](C1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123045 807582907 /nfs/dbraw/zinc/58/29/07/807582907.db2.gz IDJQUEHWTLMACV-ZSHCYNCHSA-N 2 1 250.430 3.266 20 0 CGADMP CC[NH+](C1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123045 807582910 /nfs/dbraw/zinc/58/29/10/807582910.db2.gz IDJQUEHWTLMACV-ZSHCYNCHSA-N 2 1 250.430 3.266 20 0 CGADMP CC[NH+](C1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123045 807582912 /nfs/dbraw/zinc/58/29/12/807582912.db2.gz IDJQUEHWTLMACV-ZSHCYNCHSA-N 2 1 250.430 3.266 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCc3ccccc31)C2 ZINC001169120239 807583586 /nfs/dbraw/zinc/58/35/86/807583586.db2.gz ZYGPULXYHRSNQK-XLAORIBOSA-N 2 1 284.447 3.321 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148435 807592189 /nfs/dbraw/zinc/59/21/89/807592189.db2.gz YYLKPBAUZVSYKQ-BJWYYQGGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148435 807592196 /nfs/dbraw/zinc/59/21/96/807592196.db2.gz YYLKPBAUZVSYKQ-BJWYYQGGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148435 807592202 /nfs/dbraw/zinc/59/22/02/807592202.db2.gz YYLKPBAUZVSYKQ-BJWYYQGGSA-N 2 1 292.854 3.440 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169145701 807592981 /nfs/dbraw/zinc/59/29/81/807592981.db2.gz NIPAJVMDSHSRFC-MXASKKJJSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145701 807592983 /nfs/dbraw/zinc/59/29/83/807592983.db2.gz NIPAJVMDSHSRFC-MXASKKJJSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145701 807592987 /nfs/dbraw/zinc/59/29/87/807592987.db2.gz NIPAJVMDSHSRFC-MXASKKJJSA-N 2 1 288.435 3.313 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001169155593 807596548 /nfs/dbraw/zinc/59/65/48/807596548.db2.gz RWVCDEKHWISUBM-UYVKZUBASA-N 2 1 282.431 3.198 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001169155593 807596552 /nfs/dbraw/zinc/59/65/52/807596552.db2.gz RWVCDEKHWISUBM-UYVKZUBASA-N 2 1 282.431 3.198 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001169155593 807596557 /nfs/dbraw/zinc/59/65/57/807596557.db2.gz RWVCDEKHWISUBM-UYVKZUBASA-N 2 1 282.431 3.198 20 0 CGADMP COc1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1C ZINC001169154322 807596760 /nfs/dbraw/zinc/59/67/60/807596760.db2.gz WSZZRAXVEMFIRW-CXAGYDPISA-N 2 1 291.439 3.354 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C1)CCCCC3)C2 ZINC001169160576 807597882 /nfs/dbraw/zinc/59/78/82/807597882.db2.gz IMLJBUDFNPLTDT-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC3(C1)CCCCC3)C2 ZINC001169160576 807597888 /nfs/dbraw/zinc/59/78/88/807597888.db2.gz IMLJBUDFNPLTDT-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC3(C1)CCCCC3)C2 ZINC001169160576 807597893 /nfs/dbraw/zinc/59/78/93/807597893.db2.gz IMLJBUDFNPLTDT-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP CCCC[C@@H](CCC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258761423 807599241 /nfs/dbraw/zinc/59/92/41/807599241.db2.gz KTIBXCITQDSOPA-OAHLLOKOSA-N 2 1 295.471 3.475 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccc(C)cn2)C2CC2)CC1 ZINC001258770816 807604443 /nfs/dbraw/zinc/60/44/43/807604443.db2.gz QRZIORIPATZBKK-SFHVURJKSA-N 2 1 287.451 3.305 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001169233924 807611203 /nfs/dbraw/zinc/61/12/03/807611203.db2.gz YJLMXCHZRQWTIA-KRWDZBQOSA-N 2 1 292.854 3.271 20 0 CGADMP CCN1CCC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001169245484 807612679 /nfs/dbraw/zinc/61/26/79/807612679.db2.gz FIDOONAYYOZWMO-QGZVFWFLSA-N 2 1 276.399 3.447 20 0 CGADMP CC[NH+]1CCC(N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001169245484 807612683 /nfs/dbraw/zinc/61/26/83/807612683.db2.gz FIDOONAYYOZWMO-QGZVFWFLSA-N 2 1 276.399 3.447 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001169245484 807612686 /nfs/dbraw/zinc/61/26/86/807612686.db2.gz FIDOONAYYOZWMO-QGZVFWFLSA-N 2 1 276.399 3.447 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001169245484 807612689 /nfs/dbraw/zinc/61/26/89/807612689.db2.gz FIDOONAYYOZWMO-QGZVFWFLSA-N 2 1 276.399 3.447 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001258797194 807618887 /nfs/dbraw/zinc/61/88/87/807618887.db2.gz KUUORUQSVQWARL-FZKCQIBNSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001169267955 807619446 /nfs/dbraw/zinc/61/94/46/807619446.db2.gz CZLRFBIJVAJBPT-GOSISDBHSA-N 2 1 290.426 3.317 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001169267955 807619450 /nfs/dbraw/zinc/61/94/50/807619450.db2.gz CZLRFBIJVAJBPT-GOSISDBHSA-N 2 1 290.426 3.317 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC001258814542 807632369 /nfs/dbraw/zinc/63/23/69/807632369.db2.gz PTJFGKJZOUUNSF-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC001258814542 807632371 /nfs/dbraw/zinc/63/23/71/807632371.db2.gz PTJFGKJZOUUNSF-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001258826304 807641434 /nfs/dbraw/zinc/64/14/34/807641434.db2.gz CLAXOSGXWTYCQT-XJKSGUPXSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](C)CCC(C)(C)Nc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001169717639 807696481 /nfs/dbraw/zinc/69/64/81/807696481.db2.gz GOPIDOPRKXUMGX-UHFFFAOYSA-N 2 1 299.409 3.169 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NCC23CC[NH+](CC2)CC3)[nH+]1 ZINC001169793473 807709177 /nfs/dbraw/zinc/70/91/77/807709177.db2.gz RMVYRNMMQNJNBS-UHFFFAOYSA-N 2 1 299.340 3.307 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001170138581 807772720 /nfs/dbraw/zinc/77/27/20/807772720.db2.gz QYVHQIROJUANGX-LVQVYYBASA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001170138581 807772722 /nfs/dbraw/zinc/77/27/22/807772722.db2.gz QYVHQIROJUANGX-LVQVYYBASA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001170138581 807772725 /nfs/dbraw/zinc/77/27/25/807772725.db2.gz QYVHQIROJUANGX-LVQVYYBASA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001170138581 807772727 /nfs/dbraw/zinc/77/27/27/807772727.db2.gz QYVHQIROJUANGX-LVQVYYBASA-N 2 1 290.476 3.300 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C/C=C/c2cccc(F)c2)CC1 ZINC001262110397 807825668 /nfs/dbraw/zinc/82/56/68/807825668.db2.gz BZIUNAAMPKVLOX-ZZXKWVIFSA-N 2 1 288.410 3.399 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170667468 807872140 /nfs/dbraw/zinc/87/21/40/807872140.db2.gz VGKGENLBOYOBTC-YMAMQOFZSA-N 2 1 294.389 3.024 20 0 CGADMP Cc1[nH+]c2ccc(NCC[C@@H](C)[NH3+])cc2n1C(C)C ZINC001170891426 807927033 /nfs/dbraw/zinc/92/70/33/807927033.db2.gz YTKKMUOWISQPIN-LLVKDONJSA-N 2 1 260.385 3.075 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170895424 807927067 /nfs/dbraw/zinc/92/70/67/807927067.db2.gz DQLPFIPQPMAYHF-HUUCEWRRSA-N 2 1 292.854 3.271 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170897758 807928643 /nfs/dbraw/zinc/92/86/43/807928643.db2.gz QZGNBBSHTLSGFI-CYBMUJFWSA-N 2 1 289.810 3.076 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171097940 807982747 /nfs/dbraw/zinc/98/27/47/807982747.db2.gz ZIGYIWXBGOELOE-MRXNPFEDSA-N 2 1 280.843 3.258 20 0 CGADMP COC(=[NH2+])c1cccc(-n2c(CC[NH3+])cc3ccccc32)c1 ZINC001171303893 808023092 /nfs/dbraw/zinc/02/30/92/808023092.db2.gz HAMBSXJERKZYEH-UHFFFAOYSA-N 2 1 293.370 3.103 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171393376 808043883 /nfs/dbraw/zinc/04/38/83/808043883.db2.gz CCJXRRWWWYCLIK-HOCLYGCPSA-N 2 1 290.426 3.005 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171459384 808064411 /nfs/dbraw/zinc/06/44/11/808064411.db2.gz PKJMSRFIGDZYCQ-NRXISQOPSA-N 2 1 294.389 3.024 20 0 CGADMP C[C@@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@H]1F ZINC001171632036 808109041 /nfs/dbraw/zinc/10/90/41/808109041.db2.gz TZKHYFVNFJVEKY-TZMCWYRMSA-N 2 1 270.436 3.318 20 0 CGADMP C[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@H]1F ZINC001171632036 808109043 /nfs/dbraw/zinc/10/90/43/808109043.db2.gz TZKHYFVNFJVEKY-TZMCWYRMSA-N 2 1 270.436 3.318 20 0 CGADMP CC[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641642 808110538 /nfs/dbraw/zinc/11/05/38/808110538.db2.gz RVXCDIZXIALFGT-CYBMUJFWSA-N 2 1 252.446 3.370 20 0 CGADMP C[N@@H+](CCC1CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643899 808111842 /nfs/dbraw/zinc/11/18/42/808111842.db2.gz XKTJWLBMLJPCLX-UHFFFAOYSA-N 2 1 252.446 3.370 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172099968 808172201 /nfs/dbraw/zinc/17/22/01/808172201.db2.gz LECUTUOAHDWXLR-BCDXTJNWSA-N 2 1 272.436 3.142 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1Cl)C2 ZINC001172101014 808172926 /nfs/dbraw/zinc/17/29/26/808172926.db2.gz VGDLRPKPXPCWOB-QDMKHBRRSA-N 2 1 278.827 3.445 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1Cl)C2 ZINC001172101014 808172929 /nfs/dbraw/zinc/17/29/29/808172929.db2.gz VGDLRPKPXPCWOB-QDMKHBRRSA-N 2 1 278.827 3.445 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001172104710 808174973 /nfs/dbraw/zinc/17/49/73/808174973.db2.gz CKVRVVREJLKEOW-QSPRXWTASA-N 2 1 288.435 3.101 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccccc31)C2 ZINC001172103988 808175054 /nfs/dbraw/zinc/17/50/54/808175054.db2.gz YOKWKZRSLGRKKK-CUSZFKRNSA-N 2 1 270.420 3.279 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccccc31)C2 ZINC001172103988 808175055 /nfs/dbraw/zinc/17/50/55/808175055.db2.gz YOKWKZRSLGRKKK-CUSZFKRNSA-N 2 1 270.420 3.279 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107172 808175798 /nfs/dbraw/zinc/17/57/98/808175798.db2.gz UCGJGUXEKAWOCM-GVRJEKJASA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107172 808175802 /nfs/dbraw/zinc/17/58/02/808175802.db2.gz UCGJGUXEKAWOCM-GVRJEKJASA-N 2 1 252.446 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncc3ccccc31)C2 ZINC001172108962 808177746 /nfs/dbraw/zinc/17/77/46/808177746.db2.gz FYARCHLFKILVII-BCDXTJNWSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1ccccn1)C2 ZINC001172109886 808178392 /nfs/dbraw/zinc/17/83/92/808178392.db2.gz GLXWHWBYSXQJIW-OSYLJGHBSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1ccccn1)C2 ZINC001172109886 808178395 /nfs/dbraw/zinc/17/83/95/808178395.db2.gz GLXWHWBYSXQJIW-OSYLJGHBSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001172115109 808180330 /nfs/dbraw/zinc/18/03/30/808180330.db2.gz UNXPDKGXYVAOQZ-DGAVXFQQSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001172115109 808180332 /nfs/dbraw/zinc/18/03/32/808180332.db2.gz UNXPDKGXYVAOQZ-DGAVXFQQSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001172115109 808180334 /nfs/dbraw/zinc/18/03/34/808180334.db2.gz UNXPDKGXYVAOQZ-DGAVXFQQSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001172115109 808180336 /nfs/dbraw/zinc/18/03/36/808180336.db2.gz UNXPDKGXYVAOQZ-DGAVXFQQSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1Cc3ccccc3C1)C2 ZINC001172115176 808181430 /nfs/dbraw/zinc/18/14/30/808181430.db2.gz RMXHCHIZOBDMNH-REPLKXPHSA-N 2 1 284.447 3.006 20 0 CGADMP C[N@@H+](CCOc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119832 808182550 /nfs/dbraw/zinc/18/25/50/808182550.db2.gz BDTBAUYGVRGMOC-FVQHAEBGSA-N 2 1 288.435 3.013 20 0 CGADMP C[NH+](CCOc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119832 808182554 /nfs/dbraw/zinc/18/25/54/808182554.db2.gz BDTBAUYGVRGMOC-FVQHAEBGSA-N 2 1 288.435 3.013 20 0 CGADMP C[NH+](CCOc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119832 808182558 /nfs/dbraw/zinc/18/25/58/808182558.db2.gz BDTBAUYGVRGMOC-FVQHAEBGSA-N 2 1 288.435 3.013 20 0 CGADMP C[N@H+](Cc1nc2ccccc2o1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127923 808184721 /nfs/dbraw/zinc/18/47/21/808184721.db2.gz LSRDQWVFIJJJKN-QDMKHBRRSA-N 2 1 299.418 3.275 20 0 CGADMP C[N@@H+](Cc1nc2ccccc2o1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127923 808184731 /nfs/dbraw/zinc/18/47/31/808184731.db2.gz LSRDQWVFIJJJKN-QDMKHBRRSA-N 2 1 299.418 3.275 20 0 CGADMP C[NH+](Cc1nc2ccccc2o1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127923 808184735 /nfs/dbraw/zinc/18/47/35/808184735.db2.gz LSRDQWVFIJJJKN-QDMKHBRRSA-N 2 1 299.418 3.275 20 0 CGADMP C[NH+](Cc1nc2ccccc2o1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127923 808184743 /nfs/dbraw/zinc/18/47/43/808184743.db2.gz LSRDQWVFIJJJKN-QDMKHBRRSA-N 2 1 299.418 3.275 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3cccnc3)CC1)C2 ZINC001172128086 808185667 /nfs/dbraw/zinc/18/56/67/808185667.db2.gz OEUKHAXOIDLRPS-REPLKXPHSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3cccnc3)CC1)C2 ZINC001172128086 808185671 /nfs/dbraw/zinc/18/56/71/808185671.db2.gz OEUKHAXOIDLRPS-REPLKXPHSA-N 2 1 299.462 3.276 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CSc2ccccc2C1 ZINC001172208533 808198878 /nfs/dbraw/zinc/19/88/78/808198878.db2.gz JRLNOKHPSCJHOC-INIZCTEOSA-N 2 1 292.492 3.367 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001172321596 808230675 /nfs/dbraw/zinc/23/06/75/808230675.db2.gz MBEJRQQSPHPHSG-HZPDHXFCSA-N 2 1 278.440 3.041 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](CCN)Cc1ccccc1 ZINC001172321596 808230682 /nfs/dbraw/zinc/23/06/82/808230682.db2.gz MBEJRQQSPHPHSG-HZPDHXFCSA-N 2 1 278.440 3.041 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001172363536 808258242 /nfs/dbraw/zinc/25/82/42/808258242.db2.gz KVEACMOBCXWVTB-DYSFYUKASA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172363536 808258249 /nfs/dbraw/zinc/25/82/49/808258249.db2.gz KVEACMOBCXWVTB-DYSFYUKASA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001172367254 808262449 /nfs/dbraw/zinc/26/24/49/808262449.db2.gz KVEACMOBCXWVTB-GGGWTEGZSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172367254 808262457 /nfs/dbraw/zinc/26/24/57/808262457.db2.gz KVEACMOBCXWVTB-GGGWTEGZSA-N 2 1 264.457 3.416 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404898 808293534 /nfs/dbraw/zinc/29/35/34/808293534.db2.gz NRUDJOIYZNRWAV-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404898 808293536 /nfs/dbraw/zinc/29/35/36/808293536.db2.gz NRUDJOIYZNRWAV-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404898 808293538 /nfs/dbraw/zinc/29/35/38/808293538.db2.gz NRUDJOIYZNRWAV-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](CC(C)C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001172407505 808296052 /nfs/dbraw/zinc/29/60/52/808296052.db2.gz OAXSHAORZLIRRQ-AEFFLSMTSA-N 2 1 296.499 3.386 20 0 CGADMP CCOCC[C@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172418096 808301151 /nfs/dbraw/zinc/30/11/51/808301151.db2.gz BMYORVXEDHFLAZ-ZOBUZTSGSA-N 2 1 282.472 3.316 20 0 CGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C1(C[NH3+])CC1 ZINC001172571153 808395689 /nfs/dbraw/zinc/39/56/89/808395689.db2.gz JQNAEVAONNDERF-VIFPVBQESA-N 2 1 288.769 3.020 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172568564 808395824 /nfs/dbraw/zinc/39/58/24/808395824.db2.gz MXKVFCKRXDYJBG-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP CC1(C)CC(n2c[nH+]cc2C2CC[NH2+]CC2)CC(C)(C)O1 ZINC001172660577 808411901 /nfs/dbraw/zinc/41/19/01/808411901.db2.gz URZXCQKADLZXFW-UHFFFAOYSA-N 2 1 291.439 3.259 20 0 CGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172752241 808429974 /nfs/dbraw/zinc/42/99/74/808429974.db2.gz NXIMPKVFGBCEDC-BZUAXINKSA-N 2 1 298.471 3.087 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC2 ZINC001172825803 808447187 /nfs/dbraw/zinc/44/71/87/808447187.db2.gz JFHPDVYRDMKGQP-APWZRJJASA-N 2 1 286.463 3.174 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001172859775 808464925 /nfs/dbraw/zinc/46/49/25/808464925.db2.gz CBQVWSXCEJWWBL-HSMVNMDESA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001172859775 808464930 /nfs/dbraw/zinc/46/49/30/808464930.db2.gz CBQVWSXCEJWWBL-HSMVNMDESA-N 2 1 298.833 3.340 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cccnc2)CC1 ZINC001173109142 808512612 /nfs/dbraw/zinc/51/26/12/808512612.db2.gz XQXFSIPLJLPJEH-UHFFFAOYSA-N 2 1 275.440 3.166 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](CC)C2CCOCC2)CC1 ZINC001173111602 808513971 /nfs/dbraw/zinc/51/39/71/808513971.db2.gz IFHVGGCLFOTBSO-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)cc1 ZINC001173245000 808552096 /nfs/dbraw/zinc/55/20/96/808552096.db2.gz FXIJWLWFPPVXLI-IPELMVKDSA-N 2 1 286.463 3.206 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccccc1Cl ZINC001274892326 808891823 /nfs/dbraw/zinc/89/18/23/808891823.db2.gz PJKLFJQEDWJBCA-MQVJKMGUSA-N 2 1 292.854 3.487 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccccc1Cl ZINC001274892326 808891830 /nfs/dbraw/zinc/89/18/30/808891830.db2.gz PJKLFJQEDWJBCA-MQVJKMGUSA-N 2 1 292.854 3.487 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)ncc3F)(C1)CCC2 ZINC001275312177 808928050 /nfs/dbraw/zinc/92/80/50/808928050.db2.gz GWPIITWQZDRAKT-LSDHHAIUSA-N 2 1 297.805 3.029 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1 ZINC001275866295 808972074 /nfs/dbraw/zinc/97/20/74/808972074.db2.gz MZAHBBSMSJXKHE-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP c1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccoc2)CC3)c1 ZINC001275943209 808978317 /nfs/dbraw/zinc/97/83/17/808978317.db2.gz CTVGNWNNXDOJPO-UHFFFAOYSA-N 2 1 299.418 3.096 20 0 CGADMP CCc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)s1 ZINC001276043120 808986452 /nfs/dbraw/zinc/98/64/52/808986452.db2.gz ULWZMAYOYKZQDE-UHFFFAOYSA-N 2 1 278.465 3.228 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)c(F)cc3F)(C1)CCC2 ZINC001276363401 809003738 /nfs/dbraw/zinc/00/37/38/809003738.db2.gz GJNVLLDJESAKBU-JKSUJKDBSA-N 2 1 298.352 3.258 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC001276469250 809010603 /nfs/dbraw/zinc/01/06/03/809010603.db2.gz AQQROTWPDQPYOO-YJBOKZPZSA-N 2 1 290.451 3.499 20 0 CGADMP Cc1ccc([C@@H](C)CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC001276469250 809010610 /nfs/dbraw/zinc/01/06/10/809010610.db2.gz AQQROTWPDQPYOO-YJBOKZPZSA-N 2 1 290.451 3.499 20 0 CGADMP Cc1ccc([C@@H](C)CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC001276469250 809010615 /nfs/dbraw/zinc/01/06/15/809010615.db2.gz AQQROTWPDQPYOO-YJBOKZPZSA-N 2 1 290.451 3.499 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)o1 ZINC001276470577 809010724 /nfs/dbraw/zinc/01/07/24/809010724.db2.gz PZXMZKBYHJFXDE-OIISXLGYSA-N 2 1 290.451 3.355 20 0 CGADMP Cc1ccc([C@H](C)CC[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)o1 ZINC001276470577 809010732 /nfs/dbraw/zinc/01/07/32/809010732.db2.gz PZXMZKBYHJFXDE-OIISXLGYSA-N 2 1 290.451 3.355 20 0 CGADMP Cc1ccc([C@H](C)CC[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)o1 ZINC001276470577 809010739 /nfs/dbraw/zinc/01/07/39/809010739.db2.gz PZXMZKBYHJFXDE-OIISXLGYSA-N 2 1 290.451 3.355 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)nc3)CC2)C1 ZINC001276781965 809030851 /nfs/dbraw/zinc/03/08/51/809030851.db2.gz ATXOPHSAHYFXAX-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP CC(C)[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277799459 809096284 /nfs/dbraw/zinc/09/62/84/809096284.db2.gz STMKCFBHCZLVRN-MRXNPFEDSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277799459 809096289 /nfs/dbraw/zinc/09/62/89/809096289.db2.gz STMKCFBHCZLVRN-MRXNPFEDSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277799459 809096293 /nfs/dbraw/zinc/09/62/93/809096293.db2.gz STMKCFBHCZLVRN-MRXNPFEDSA-N 2 1 250.430 3.125 20 0 CGADMP CC[C@H](C)[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277807160 809099055 /nfs/dbraw/zinc/09/90/55/809099055.db2.gz KZKIXVTWLRXYFY-AWEZNQCLSA-N 2 1 250.430 3.125 20 0 CGADMP CC[C@H](C)[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277807160 809099063 /nfs/dbraw/zinc/09/90/63/809099063.db2.gz KZKIXVTWLRXYFY-AWEZNQCLSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)CC1([NH2+]C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001174770852 809160495 /nfs/dbraw/zinc/16/04/95/809160495.db2.gz ITTQTQSEYMQNAO-OAHLLOKOSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CC1([NH2+]C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001174770852 809160497 /nfs/dbraw/zinc/16/04/97/809160497.db2.gz ITTQTQSEYMQNAO-OAHLLOKOSA-N 2 1 252.446 3.418 20 0 CGADMP C(C[N@@H+](CCC1CC1)CC1CC1)C[NH+]1CCCCC1 ZINC001174827865 809173698 /nfs/dbraw/zinc/17/36/98/809173698.db2.gz UHUUQTQRMPQOIR-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@H](C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)C1CCCCC1 ZINC001175069897 809259222 /nfs/dbraw/zinc/25/92/22/809259222.db2.gz JNUJZOMDQLMHNN-KBAYOESNSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H](C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001175069898 809259361 /nfs/dbraw/zinc/25/93/61/809259361.db2.gz JNUJZOMDQLMHNN-NJAFHUGGSA-N 2 1 278.484 3.476 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cccc2c1OCC2 ZINC001177061781 809777348 /nfs/dbraw/zinc/77/73/48/809777348.db2.gz UXRYFGFXURORCR-UHFFFAOYSA-N 2 1 290.451 3.223 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC001177554026 809809918 /nfs/dbraw/zinc/80/99/18/809809918.db2.gz JNGJQDZBSSWFSG-UHFFFAOYSA-N 2 1 283.375 3.344 20 0 CGADMP Cc1cccc(C[NH2+]CCC[N@H+](C)CC(C)C)c1C ZINC001179081948 809903905 /nfs/dbraw/zinc/90/39/05/809903905.db2.gz QHRODBWLTWIDEH-UHFFFAOYSA-N 2 1 262.441 3.371 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC001180907575 810027208 /nfs/dbraw/zinc/02/72/08/810027208.db2.gz QOWLRKDLYSWOLY-ZDUSSCGKSA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2occc2c1 ZINC001184196177 810181485 /nfs/dbraw/zinc/18/14/85/810181485.db2.gz FLLUDGOPDJOGNS-UHFFFAOYSA-N 2 1 274.408 3.452 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2occc2c1 ZINC001184196177 810181487 /nfs/dbraw/zinc/18/14/87/810181487.db2.gz FLLUDGOPDJOGNS-UHFFFAOYSA-N 2 1 274.408 3.452 20 0 CGADMP C[C@H](C[N@@H+]1CCc2[nH+]ccc(N)c2C1)CC(C)(C)C ZINC001197104796 811398516 /nfs/dbraw/zinc/39/85/16/811398516.db2.gz LFSUCQSHLXGWLM-LBPRGKRZSA-N 2 1 261.413 3.094 20 0 CGADMP C[C@H](C[N@H+]1CCc2[nH+]ccc(N)c2C1)CC(C)(C)C ZINC001197104796 811398524 /nfs/dbraw/zinc/39/85/24/811398524.db2.gz LFSUCQSHLXGWLM-LBPRGKRZSA-N 2 1 261.413 3.094 20 0 CGADMP C[C@@H](C[N@@H+]1CCc2[nH+]ccc(N)c2C1)CC(C)(C)C ZINC001197104794 811399259 /nfs/dbraw/zinc/39/92/59/811399259.db2.gz LFSUCQSHLXGWLM-GFCCVEGCSA-N 2 1 261.413 3.094 20 0 CGADMP C[C@@H](C[N@H+]1CCc2[nH+]ccc(N)c2C1)CC(C)(C)C ZINC001197104794 811399267 /nfs/dbraw/zinc/39/92/67/811399267.db2.gz LFSUCQSHLXGWLM-GFCCVEGCSA-N 2 1 261.413 3.094 20 0 CGADMP COCCCC[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001198790220 811544059 /nfs/dbraw/zinc/54/40/59/811544059.db2.gz DMWXAYHGUHVXJL-HNNXBMFYSA-N 2 1 293.455 3.244 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001198918879 811552158 /nfs/dbraw/zinc/55/21/58/811552158.db2.gz QHEHDMOAWAEERH-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](C[NH2+]CC1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001199266377 811568830 /nfs/dbraw/zinc/56/88/30/811568830.db2.gz JEASWDSANONOFA-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[NH2+]CC1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC001199266377 811568836 /nfs/dbraw/zinc/56/88/36/811568836.db2.gz JEASWDSANONOFA-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ncsc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001199344526 811572445 /nfs/dbraw/zinc/57/24/45/811572445.db2.gz KOUQDYMAVBOWOH-ZDUSSCGKSA-N 2 1 281.469 3.053 20 0 CGADMP Cc1ncsc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001199344525 811573039 /nfs/dbraw/zinc/57/30/39/811573039.db2.gz KOUQDYMAVBOWOH-CYBMUJFWSA-N 2 1 281.469 3.053 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(C)n1 ZINC001199328775 811573154 /nfs/dbraw/zinc/57/31/54/811573154.db2.gz IYCLVQAELLANFN-HUUCEWRRSA-N 2 1 289.467 3.156 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C ZINC001200254820 811654944 /nfs/dbraw/zinc/65/49/44/811654944.db2.gz JZUIAHJYFHDPIK-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C ZINC001200254820 811654946 /nfs/dbraw/zinc/65/49/46/811654946.db2.gz JZUIAHJYFHDPIK-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC001200439906 811689909 /nfs/dbraw/zinc/68/99/09/811689909.db2.gz XGXRAXZCPHFKAA-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC001200439906 811689915 /nfs/dbraw/zinc/68/99/15/811689915.db2.gz XGXRAXZCPHFKAA-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP COCC[N@@H+](C[C@@H](C)CCC=C(C)C)C1CCN(C)CC1 ZINC001201489865 811862739 /nfs/dbraw/zinc/86/27/39/811862739.db2.gz HRFJBACHAQLGQA-KRWDZBQOSA-N 2 1 296.499 3.412 20 0 CGADMP Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC001204029187 812524425 /nfs/dbraw/zinc/52/44/25/812524425.db2.gz WPGKPYCQAXFJJU-DLBZAZTESA-N 2 1 297.446 3.235 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccccc12 ZINC001204045848 812532157 /nfs/dbraw/zinc/53/21/57/812532157.db2.gz LXGSMFJUXSAUNO-UHFFFAOYSA-N 2 1 273.424 3.332 20 0 CGADMP Cc1c(C[N@@H+]2CCC[NH2+]CC2)cccc1-c1ccccc1 ZINC001204685000 812707816 /nfs/dbraw/zinc/70/78/16/812707816.db2.gz REFCHGPKGUBZAA-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP Cc1c(C[N@H+]2CCC[NH2+]CC2)cccc1-c1ccccc1 ZINC001204685000 812707820 /nfs/dbraw/zinc/70/78/20/812707820.db2.gz REFCHGPKGUBZAA-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP c1ccc(C2(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001204727718 812719042 /nfs/dbraw/zinc/71/90/42/812719042.db2.gz LKNBIMSCGVLBBW-UHFFFAOYSA-N 2 1 284.447 3.184 20 0 CGADMP Clc1ccc(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727790 812719206 /nfs/dbraw/zinc/71/92/06/812719206.db2.gz PFUHGVLHDIMWRD-UHFFFAOYSA-N 2 1 292.854 3.348 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735201 812719891 /nfs/dbraw/zinc/71/98/91/812719891.db2.gz NXPANDYPRHZDPU-UHFFFAOYSA-N 2 1 294.389 3.239 20 0 CGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1F ZINC001204735166 812720193 /nfs/dbraw/zinc/72/01/93/812720193.db2.gz MNHAIGNCBGEPQM-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP Clc1ccc(C2=CC[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001204870632 812758659 /nfs/dbraw/zinc/75/86/59/812758659.db2.gz YXUANNUCVFUHLQ-CQSZACIVSA-N 2 1 290.838 3.429 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001204925674 812779651 /nfs/dbraw/zinc/77/96/51/812779651.db2.gz YTEWQMCYMKFSHT-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCCCOCc1ccccc1 ZINC001204925674 812779655 /nfs/dbraw/zinc/77/96/55/812779655.db2.gz YTEWQMCYMKFSHT-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001204938551 812786706 /nfs/dbraw/zinc/78/67/06/812786706.db2.gz MSRZXBQHBSWWIZ-KRWDZBQOSA-N 2 1 254.377 3.153 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001204938551 812786712 /nfs/dbraw/zinc/78/67/12/812786712.db2.gz MSRZXBQHBSWWIZ-KRWDZBQOSA-N 2 1 254.377 3.153 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@H]([NH3+])CC2)C1(C)C ZINC001205088718 812857034 /nfs/dbraw/zinc/85/70/34/812857034.db2.gz RPSSSGXSHUXFRL-GJZGRUSLSA-N 2 1 250.430 3.182 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1C ZINC001205089407 812857208 /nfs/dbraw/zinc/85/72/08/812857208.db2.gz PBDGYWSIONFTCW-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2cccc(Cl)c2)CC1 ZINC001205094612 812860358 /nfs/dbraw/zinc/86/03/58/812860358.db2.gz NNDHUUZPZPXFMA-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001205101434 812864098 /nfs/dbraw/zinc/86/40/98/812864098.db2.gz FEBAMQPBGJLCDV-SFHVURJKSA-N 2 1 281.403 3.062 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205101301 812864376 /nfs/dbraw/zinc/86/43/76/812864376.db2.gz CYHGPUGSHLCDRT-ZDUSSCGKSA-N 2 1 266.454 3.404 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001205101451 812865539 /nfs/dbraw/zinc/86/55/39/812865539.db2.gz FMZXJJTYPBCCDF-HNNXBMFYSA-N 2 1 287.432 3.123 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117775 812874213 /nfs/dbraw/zinc/87/42/13/812874213.db2.gz UWCVTSWXQRHAKM-LLVKDONJSA-N 2 1 284.856 3.375 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117775 812874221 /nfs/dbraw/zinc/87/42/21/812874221.db2.gz UWCVTSWXQRHAKM-LLVKDONJSA-N 2 1 284.856 3.375 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c(F)cccc23)CC1 ZINC001205123870 812876342 /nfs/dbraw/zinc/87/63/42/812876342.db2.gz GGJMWPPBBVXZOX-AWEZNQCLSA-N 2 1 272.367 3.292 20 0 CGADMP FC1(C[N@H+]2CCCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC001205171747 812897932 /nfs/dbraw/zinc/89/79/32/812897932.db2.gz WWLINLAKVYICFK-MRXNPFEDSA-N 2 1 276.399 3.305 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001205263869 812922095 /nfs/dbraw/zinc/92/20/95/812922095.db2.gz DIXSSTMOLDZVLS-CQSZACIVSA-N 2 1 286.341 3.409 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001205263869 812922096 /nfs/dbraw/zinc/92/20/96/812922096.db2.gz DIXSSTMOLDZVLS-CQSZACIVSA-N 2 1 286.341 3.409 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205273848 812925631 /nfs/dbraw/zinc/92/56/31/812925631.db2.gz QDLWAGASWWICGS-KRWDZBQOSA-N 2 1 276.424 3.177 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc(C)c1F ZINC001205281573 812930458 /nfs/dbraw/zinc/93/04/58/812930458.db2.gz VCGDIFRLEPECEL-INIZCTEOSA-N 2 1 264.388 3.146 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205288632 812931745 /nfs/dbraw/zinc/93/17/45/812931745.db2.gz MIUHJKKVZXPGSZ-OAHLLOKOSA-N 2 1 284.806 3.491 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205288632 812931749 /nfs/dbraw/zinc/93/17/49/812931749.db2.gz MIUHJKKVZXPGSZ-OAHLLOKOSA-N 2 1 284.806 3.491 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205288016 812931946 /nfs/dbraw/zinc/93/19/46/812931946.db2.gz FPJBHBUFTQMASZ-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205288775 812933215 /nfs/dbraw/zinc/93/32/15/812933215.db2.gz OHEGAHXWLJSEEB-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205288775 812933220 /nfs/dbraw/zinc/93/32/20/812933220.db2.gz OHEGAHXWLJSEEB-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205298088 812939196 /nfs/dbraw/zinc/93/91/96/812939196.db2.gz SNJAESZUOLQAOZ-UHFFFAOYSA-N 2 1 283.419 3.227 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205298088 812939198 /nfs/dbraw/zinc/93/91/98/812939198.db2.gz SNJAESZUOLQAOZ-UHFFFAOYSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C[C@H]1C[NH3+] ZINC001205303811 812942551 /nfs/dbraw/zinc/94/25/51/812942551.db2.gz KYABASXETIDQEJ-VXGBXAGGSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)c1Cl ZINC001205317152 812948908 /nfs/dbraw/zinc/94/89/08/812948908.db2.gz MRRHNLCGAAIGLH-NHYWBVRUSA-N 2 1 280.843 3.374 20 0 CGADMP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c2ccccc12 ZINC001205324843 812955050 /nfs/dbraw/zinc/95/50/50/812955050.db2.gz GYKOHFLFCVDRBU-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)c2ccccc12 ZINC001205324843 812955053 /nfs/dbraw/zinc/95/50/53/812955053.db2.gz GYKOHFLFCVDRBU-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205332537 812959329 /nfs/dbraw/zinc/95/93/29/812959329.db2.gz RIYRRYJUDFMGSN-GFCCVEGCSA-N 2 1 286.341 3.198 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205332537 812959334 /nfs/dbraw/zinc/95/93/34/812959334.db2.gz RIYRRYJUDFMGSN-GFCCVEGCSA-N 2 1 286.341 3.198 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205545517 812999591 /nfs/dbraw/zinc/99/95/91/812999591.db2.gz IUXAZKJHCUZABI-KRWDZBQOSA-N 2 1 294.414 3.127 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c[nH]c21 ZINC001205546236 813000248 /nfs/dbraw/zinc/00/02/48/813000248.db2.gz SMOMQIRWZVLOHX-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205560063 813003039 /nfs/dbraw/zinc/00/30/39/813003039.db2.gz YSDXJLFEFWDIND-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001205571808 813007431 /nfs/dbraw/zinc/00/74/31/813007431.db2.gz YGBAMAXPYFCCTL-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC001205578646 813010929 /nfs/dbraw/zinc/01/09/29/813010929.db2.gz IBUUMSCKNLYPKU-INIZCTEOSA-N 2 1 276.355 3.086 20 0 CGADMP C[C@H]1CC[N@@H+](CCC2CCCCC2)CC[C@H]1C[NH3+] ZINC001205601776 813017082 /nfs/dbraw/zinc/01/70/82/813017082.db2.gz GISVUGCTWSTMTJ-HOCLYGCPSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC001205602012 813017135 /nfs/dbraw/zinc/01/71/35/813017135.db2.gz HPXYDDMBPBYZOT-GDBMZVCRSA-N 2 1 278.415 3.065 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205603023 813019340 /nfs/dbraw/zinc/01/93/40/813019340.db2.gz MWSKJJISNDGETB-NVXWUHKLSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c1F ZINC001205616789 813026376 /nfs/dbraw/zinc/02/63/76/813026376.db2.gz GXMWCOBOTSOXKG-WCQYABFASA-N 2 1 282.378 3.080 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205617456 813027529 /nfs/dbraw/zinc/02/75/29/813027529.db2.gz KBXDDYJHQKYIED-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC001205618174 813029368 /nfs/dbraw/zinc/02/93/68/813029368.db2.gz SHXKWGOEPAHGBB-CHWSQXEVSA-N 2 1 298.377 3.095 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205618336 813029441 /nfs/dbraw/zinc/02/94/41/813029441.db2.gz UVYSSKMZLKZBSI-RDJZCZTQSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2coc3ccc(F)cc23)CC[C@@H]1C[NH3+] ZINC001205627397 813032056 /nfs/dbraw/zinc/03/20/56/813032056.db2.gz PGNMTAMWLLGDQM-CHWSQXEVSA-N 2 1 290.382 3.379 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3scnc3c2)CC[C@H]1C[NH3+] ZINC001205626847 813032962 /nfs/dbraw/zinc/03/29/62/813032962.db2.gz JUNRXNOBRBOEMQ-OCCSQVGLSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccsc2Cl)CC[C@@H]1C[NH3+] ZINC001205638828 813039169 /nfs/dbraw/zinc/03/91/69/813039169.db2.gz SHYILGMECFXDQI-GHMZBOCLSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3cccc(F)c3[nH]2)CC[C@H]1C[NH3+] ZINC001205638565 813039342 /nfs/dbraw/zinc/03/93/42/813039342.db2.gz PIIHNROROMIWIN-JSGCOSHPSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)CC[C@@H]1C[NH3+] ZINC001205651337 813041280 /nfs/dbraw/zinc/04/12/80/813041280.db2.gz CUAAHMNMPATCSK-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)c[nH]2)CC[C@H]1C[NH3+] ZINC001205651358 813042790 /nfs/dbraw/zinc/04/27/90/813042790.db2.gz CXVBMYRQZYMPJP-KGLIPLIRSA-N 2 1 277.456 3.119 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)cccc2n1 ZINC001205651446 813042974 /nfs/dbraw/zinc/04/29/74/813042974.db2.gz FGBKXHICLBDAPI-GOEBONIOSA-N 2 1 297.446 3.350 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205663323 813045480 /nfs/dbraw/zinc/04/54/80/813045480.db2.gz HKZWFHBKKPAMKQ-LIMHQNJXSA-N 2 1 282.472 3.079 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](OC)C1CCCCC1 ZINC001205695965 813053407 /nfs/dbraw/zinc/05/34/07/813053407.db2.gz CMMWLZJPTTWBJN-KRWDZBQOSA-N 2 1 284.488 3.245 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CCC1(F)F ZINC001205763634 813069459 /nfs/dbraw/zinc/06/94/59/813069459.db2.gz RKTPGXNUCOYMGX-HNNXBMFYSA-N 2 1 290.357 3.256 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CCC1(F)F ZINC001205787836 813078400 /nfs/dbraw/zinc/07/84/00/813078400.db2.gz KENLIDFBMOAJDL-INIZCTEOSA-N 2 1 294.389 3.370 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCC1(F)F ZINC001205787836 813078410 /nfs/dbraw/zinc/07/84/10/813078410.db2.gz KENLIDFBMOAJDL-INIZCTEOSA-N 2 1 294.389 3.370 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205802310 813084577 /nfs/dbraw/zinc/08/45/77/813084577.db2.gz BKZNWONRLXFEPB-PBHICJAKSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205802310 813084580 /nfs/dbraw/zinc/08/45/80/813084580.db2.gz BKZNWONRLXFEPB-PBHICJAKSA-N 2 1 260.425 3.369 20 0 CGADMP CCn1ccc2c1cccc2CN1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205817449 813093415 /nfs/dbraw/zinc/09/34/15/813093415.db2.gz QNLRMDSSWIFWMC-GDBMZVCRSA-N 2 1 285.435 3.220 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205817449 813093425 /nfs/dbraw/zinc/09/34/25/813093425.db2.gz QNLRMDSSWIFWMC-GDBMZVCRSA-N 2 1 285.435 3.220 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205817449 813093435 /nfs/dbraw/zinc/09/34/35/813093435.db2.gz QNLRMDSSWIFWMC-GDBMZVCRSA-N 2 1 285.435 3.220 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2cccnc2)cc1 ZINC001205901977 813124158 /nfs/dbraw/zinc/12/41/58/813124158.db2.gz GPJXJNNASRLRKQ-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(C)c1C ZINC001205903637 813126087 /nfs/dbraw/zinc/12/60/87/813126087.db2.gz QKJNMMPPULFQKV-HZPDHXFCSA-N 2 1 290.451 3.180 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(C)c1C ZINC001205903636 813126990 /nfs/dbraw/zinc/12/69/90/813126990.db2.gz QKJNMMPPULFQKV-HOTGVXAUSA-N 2 1 290.451 3.180 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205904551 813127046 /nfs/dbraw/zinc/12/70/46/813127046.db2.gz VSTXOYVAANXKOO-RHSMWYFYSA-N 2 1 260.425 3.369 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H]3C)cc21 ZINC001205905231 813127726 /nfs/dbraw/zinc/12/77/26/813127726.db2.gz ZKRFZJFXENCRLB-RHSMWYFYSA-N 2 1 285.435 3.220 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205912624 813130013 /nfs/dbraw/zinc/13/00/13/813130013.db2.gz BFWJSHUINMAGIZ-NEPJUHHUSA-N 2 1 291.826 3.381 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](Cc2csc3ccccc23)C1 ZINC001205932565 813139342 /nfs/dbraw/zinc/13/93/42/813139342.db2.gz RSYZNODVRPQMTB-CYBMUJFWSA-N 2 1 260.406 3.215 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001205932565 813139344 /nfs/dbraw/zinc/13/93/44/813139344.db2.gz RSYZNODVRPQMTB-CYBMUJFWSA-N 2 1 260.406 3.215 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2ccccc2F)CCC[C@H]1C[NH3+] ZINC001205982562 813151485 /nfs/dbraw/zinc/15/14/85/813151485.db2.gz MILYXDUYEJCMEJ-HOCLYGCPSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2cccc(F)c2)CCC[C@H]1C[NH3+] ZINC001205981848 813151520 /nfs/dbraw/zinc/15/15/20/813151520.db2.gz HWZMWTIWDPYCJR-HOCLYGCPSA-N 2 1 278.415 3.065 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205992004 813155692 /nfs/dbraw/zinc/15/56/92/813155692.db2.gz CUSDLZQKQLLBKQ-KGLIPLIRSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CCC[C@H]1C[NH3+] ZINC001205993676 813155946 /nfs/dbraw/zinc/15/59/46/813155946.db2.gz IGRSKQFNIJRKJW-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205995884 813156771 /nfs/dbraw/zinc/15/67/71/813156771.db2.gz RJEATLAXDQZYIE-NVXWUHKLSA-N 2 1 290.451 3.281 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205995701 813157146 /nfs/dbraw/zinc/15/71/46/813157146.db2.gz PLBNYEONEKTGDQ-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(C)s1 ZINC001205996156 813157343 /nfs/dbraw/zinc/15/73/43/813157343.db2.gz VMINMOUISQOZSH-FZMZJTMJSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(O)c3ccccc23)CCC[C@H]1C[NH3+] ZINC001205995318 813157463 /nfs/dbraw/zinc/15/74/63/813157463.db2.gz NPYAMXYRUHRUCS-GJZGRUSLSA-N 2 1 298.430 3.352 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCC[C@H]1C[NH3+] ZINC001205994671 813157501 /nfs/dbraw/zinc/15/75/01/813157501.db2.gz LSWRHKJSAZOMRJ-PBHICJAKSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205997045 813157711 /nfs/dbraw/zinc/15/77/11/813157711.db2.gz ZCDAVOARMULQBM-RDJZCZTQSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)ccc2c1 ZINC001205996775 813158065 /nfs/dbraw/zinc/15/80/65/813158065.db2.gz YHVGPRYVYWOSOE-DOTOQJQBSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3cnccc32)CCC[C@H]1C[NH3+] ZINC001206002746 813161328 /nfs/dbraw/zinc/16/13/28/813161328.db2.gz AIDNISPTONGCCH-GJZGRUSLSA-N 2 1 283.419 3.042 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)cc21 ZINC001206004976 813162599 /nfs/dbraw/zinc/16/25/99/813162599.db2.gz WDMHGSUGSKTLSQ-QAPCUYQASA-N 2 1 299.462 3.468 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206014515 813166517 /nfs/dbraw/zinc/16/65/17/813166517.db2.gz XEANSGKCKRRRIL-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(O)cc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206024376 813169125 /nfs/dbraw/zinc/16/91/25/813169125.db2.gz JBPKTZSTGVTCKD-ZBFHGGJFSA-N 2 1 298.430 3.352 20 0 CGADMP C[C@@H]1C[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC001206053083 813183221 /nfs/dbraw/zinc/18/32/21/813183221.db2.gz IUUQLRAETVYYBP-QMTHXVAHSA-N 2 1 287.234 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC001206053083 813183226 /nfs/dbraw/zinc/18/32/26/813183226.db2.gz IUUQLRAETVYYBP-QMTHXVAHSA-N 2 1 287.234 3.205 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206064829 813188035 /nfs/dbraw/zinc/18/80/35/813188035.db2.gz GBMVMRWOCRLXJI-DNVCBOLYSA-N 2 1 280.415 3.441 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206064829 813188040 /nfs/dbraw/zinc/18/80/40/813188040.db2.gz GBMVMRWOCRLXJI-DNVCBOLYSA-N 2 1 280.415 3.441 20 0 CGADMP Cc1cccc2c1C[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001206080980 813194331 /nfs/dbraw/zinc/19/43/31/813194331.db2.gz JKQGMIZRAFAJHL-UHFFFAOYSA-N 2 1 278.399 3.157 20 0 CGADMP N[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1F ZINC001206153235 813215613 /nfs/dbraw/zinc/21/56/13/813215613.db2.gz CHRRMCQXNFYWJU-HUUCEWRRSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)CC[C@H]1F ZINC001206153235 813215618 /nfs/dbraw/zinc/21/56/18/813215618.db2.gz CHRRMCQXNFYWJU-HUUCEWRRSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1F ZINC001206153235 813215621 /nfs/dbraw/zinc/21/56/21/813215621.db2.gz CHRRMCQXNFYWJU-HUUCEWRRSA-N 2 1 284.806 3.034 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154167 813216519 /nfs/dbraw/zinc/21/65/19/813216519.db2.gz HDVDKYPBQCPJID-LPUOJRKPSA-N 2 1 256.409 3.274 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154167 813216526 /nfs/dbraw/zinc/21/65/26/813216526.db2.gz HDVDKYPBQCPJID-LPUOJRKPSA-N 2 1 256.409 3.274 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156269 813216729 /nfs/dbraw/zinc/21/67/29/813216729.db2.gz PQHWSNZMTWTHEX-SOUVJXGZSA-N 2 1 256.409 3.130 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156269 813216734 /nfs/dbraw/zinc/21/67/34/813216734.db2.gz PQHWSNZMTWTHEX-SOUVJXGZSA-N 2 1 256.409 3.130 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCC2CCCCC2)CC[C@@H]1F ZINC001206156260 813217277 /nfs/dbraw/zinc/21/72/77/813217277.db2.gz PMUHYGCVNWMHPV-LSDHHAIUSA-N 2 1 256.409 3.108 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCC2CCCCC2)CC[C@@H]1F ZINC001206156260 813217278 /nfs/dbraw/zinc/21/72/78/813217278.db2.gz PMUHYGCVNWMHPV-LSDHHAIUSA-N 2 1 256.409 3.108 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157404 813218804 /nfs/dbraw/zinc/21/88/04/813218804.db2.gz YICZDMUHSKXZBK-IRXDYDNUSA-N 2 1 278.415 3.114 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157404 813218809 /nfs/dbraw/zinc/21/88/09/813218809.db2.gz YICZDMUHSKXZBK-IRXDYDNUSA-N 2 1 278.415 3.114 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206269518 813265796 /nfs/dbraw/zinc/26/57/96/813265796.db2.gz POCKMWXWNOOPPU-INIZCTEOSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206269518 813265803 /nfs/dbraw/zinc/26/58/03/813265803.db2.gz POCKMWXWNOOPPU-INIZCTEOSA-N 2 1 290.451 3.274 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001206278187 813268358 /nfs/dbraw/zinc/26/83/58/813268358.db2.gz ZPVASLNVSOMQRF-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001206278187 813268362 /nfs/dbraw/zinc/26/83/62/813268362.db2.gz ZPVASLNVSOMQRF-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001206278185 813268642 /nfs/dbraw/zinc/26/86/42/813268642.db2.gz ZPVASLNVSOMQRF-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001206278185 813268649 /nfs/dbraw/zinc/26/86/49/813268649.db2.gz ZPVASLNVSOMQRF-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001206304187 813280070 /nfs/dbraw/zinc/28/00/70/813280070.db2.gz GYRWPXXOASHJNJ-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)c1 ZINC001206327785 813291831 /nfs/dbraw/zinc/29/18/31/813291831.db2.gz XTDISMWOXAXXNV-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)c2c1 ZINC001206343207 813295623 /nfs/dbraw/zinc/29/56/23/813295623.db2.gz CZXIRBPBRQTIQU-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)c2c1 ZINC001206343207 813295627 /nfs/dbraw/zinc/29/56/27/813295627.db2.gz CZXIRBPBRQTIQU-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC001206541811 813345208 /nfs/dbraw/zinc/34/52/08/813345208.db2.gz KTVZAAVIOUDKCM-KRWDZBQOSA-N 2 1 278.415 3.209 20 0 CGADMP CCOc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1C ZINC001206573145 813359230 /nfs/dbraw/zinc/35/92/30/813359230.db2.gz IPALATODZAQLFQ-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP CC(C)[N@@H+](CCc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582069 813361483 /nfs/dbraw/zinc/36/14/83/813361483.db2.gz LQPOQYVXSVTTNT-MRXNPFEDSA-N 2 1 278.415 3.221 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206582726 813363129 /nfs/dbraw/zinc/36/31/29/813363129.db2.gz PCMJTBYRULGXFU-QGZVFWFLSA-N 2 1 289.467 3.105 20 0 CGADMP CC(C)[N@@H+](CC1Cc2ccccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC001206583379 813364809 /nfs/dbraw/zinc/36/48/09/813364809.db2.gz UFDSQRZCMSRLBW-LJQANCHMSA-N 2 1 286.463 3.254 20 0 CGADMP COc1c(C)cccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206597323 813368797 /nfs/dbraw/zinc/36/87/97/813368797.db2.gz ACPWEPOCDJSWRP-QGZVFWFLSA-N 2 1 290.451 3.356 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001206616061 813376135 /nfs/dbraw/zinc/37/61/35/813376135.db2.gz NBDCLKMLHJKQRB-LBPRGKRZSA-N 2 1 291.826 3.382 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001206616061 813376141 /nfs/dbraw/zinc/37/61/41/813376141.db2.gz NBDCLKMLHJKQRB-LBPRGKRZSA-N 2 1 291.826 3.382 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2C(F)F)C1 ZINC001206622374 813377066 /nfs/dbraw/zinc/37/70/66/813377066.db2.gz AUPFCQBQPPLQCD-GFCCVEGCSA-N 2 1 268.351 3.185 20 0 CGADMP CCCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206767375 813429192 /nfs/dbraw/zinc/42/91/92/813429192.db2.gz ABDGKSSDVRJDMD-RDJZCZTQSA-N 2 1 290.451 3.425 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1C(C)C ZINC001206769698 813432757 /nfs/dbraw/zinc/43/27/57/813432757.db2.gz PJFQKMLPSVOYRU-GOEBONIOSA-N 2 1 290.451 3.378 20 0 CGADMP Cc1ncsc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001206989585 813462061 /nfs/dbraw/zinc/46/20/61/813462061.db2.gz JDNFSTQPZVWMMB-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP CC(C)OC1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185256 813509965 /nfs/dbraw/zinc/50/99/65/813509965.db2.gz PATVTPSTOAJXSB-IIIMJFFVSA-N 2 1 294.483 3.329 20 0 CGADMP CC(C)OC1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185256 813509972 /nfs/dbraw/zinc/50/99/72/813509972.db2.gz PATVTPSTOAJXSB-IIIMJFFVSA-N 2 1 294.483 3.329 20 0 CGADMP CC1=CC[C@@H](CC[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC001207269909 813528396 /nfs/dbraw/zinc/52/83/96/813528396.db2.gz WMEGMLFMSQSSFI-HNNXBMFYSA-N 2 1 252.446 3.252 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001207286299 813536001 /nfs/dbraw/zinc/53/60/01/813536001.db2.gz QWJOEAZHYYXFCP-AWEZNQCLSA-N 2 1 278.415 3.203 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001207286299 813536009 /nfs/dbraw/zinc/53/60/09/813536009.db2.gz QWJOEAZHYYXFCP-AWEZNQCLSA-N 2 1 278.415 3.203 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001207288097 813536359 /nfs/dbraw/zinc/53/63/59/813536359.db2.gz ZXTDCVCYUAGVGJ-QAPCUYQASA-N 2 1 290.426 3.188 20 0 CGADMP Clc1cccc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC001207438599 813565215 /nfs/dbraw/zinc/56/52/15/813565215.db2.gz BDPBJJYFRQNKGK-OAHLLOKOSA-N 2 1 278.827 3.129 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC001207573272 813598971 /nfs/dbraw/zinc/59/89/71/813598971.db2.gz OBNPGEQMIMJAAS-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC001207573272 813598975 /nfs/dbraw/zinc/59/89/75/813598975.db2.gz OBNPGEQMIMJAAS-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001207738599 813642191 /nfs/dbraw/zinc/64/21/91/813642191.db2.gz FFZRWWMZCLJHFD-UHFFFAOYSA-N 2 1 298.421 3.417 20 0 CGADMP Cc1scc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1C ZINC001207738716 813642371 /nfs/dbraw/zinc/64/23/71/813642371.db2.gz JFLYTOBSBJDZPO-UHFFFAOYSA-N 2 1 268.470 3.385 20 0 CGADMP Cc1scc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c1C ZINC001207738716 813642375 /nfs/dbraw/zinc/64/23/75/813642375.db2.gz JFLYTOBSBJDZPO-UHFFFAOYSA-N 2 1 268.470 3.385 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CC2CCSCC2)CC1 ZINC001207756399 813646171 /nfs/dbraw/zinc/64/61/71/813646171.db2.gz IFJCSQUZLPHHBJ-UHFFFAOYSA-N 2 1 284.513 3.326 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208174352 813727060 /nfs/dbraw/zinc/72/70/60/813727060.db2.gz JYTQKDCKJXENFS-CVEARBPZSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208174352 813727064 /nfs/dbraw/zinc/72/70/64/813727064.db2.gz JYTQKDCKJXENFS-CVEARBPZSA-N 2 1 264.457 3.395 20 0 CGADMP C[C@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@H]1C ZINC001208185031 813735147 /nfs/dbraw/zinc/73/51/47/813735147.db2.gz UCMBDQKTKNGRSS-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)CC1 ZINC001208593733 813769791 /nfs/dbraw/zinc/76/97/91/813769791.db2.gz ZUCBFFLOAKVQFL-CYBMUJFWSA-N 2 1 274.399 3.086 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208606073 813770945 /nfs/dbraw/zinc/77/09/45/813770945.db2.gz CLPSXFLJHQABRS-RDJZCZTQSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208606073 813770948 /nfs/dbraw/zinc/77/09/48/813770948.db2.gz CLPSXFLJHQABRS-RDJZCZTQSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208606073 813770953 /nfs/dbraw/zinc/77/09/53/813770953.db2.gz CLPSXFLJHQABRS-RDJZCZTQSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208606073 813770956 /nfs/dbraw/zinc/77/09/56/813770956.db2.gz CLPSXFLJHQABRS-RDJZCZTQSA-N 2 1 288.435 3.174 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608348 813774128 /nfs/dbraw/zinc/77/41/28/813774128.db2.gz HKOFYLSUDVOWGQ-GJZGRUSLSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608348 813774132 /nfs/dbraw/zinc/77/41/32/813774132.db2.gz HKOFYLSUDVOWGQ-GJZGRUSLSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608348 813774136 /nfs/dbraw/zinc/77/41/36/813774136.db2.gz HKOFYLSUDVOWGQ-GJZGRUSLSA-N 2 1 292.854 3.471 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001208613922 813775867 /nfs/dbraw/zinc/77/58/67/813775867.db2.gz IBSOKOQJKBLSHU-SUMWQHHRSA-N 2 1 294.389 3.444 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001208613922 813775868 /nfs/dbraw/zinc/77/58/68/813775868.db2.gz IBSOKOQJKBLSHU-SUMWQHHRSA-N 2 1 294.389 3.444 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001208613922 813775872 /nfs/dbraw/zinc/77/58/72/813775872.db2.gz IBSOKOQJKBLSHU-SUMWQHHRSA-N 2 1 294.389 3.444 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001208613922 813775873 /nfs/dbraw/zinc/77/58/73/813775873.db2.gz IBSOKOQJKBLSHU-SUMWQHHRSA-N 2 1 294.389 3.444 20 0 CGADMP c1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)c2c([nH+]1)NCC2 ZINC001242696039 823103391 /nfs/dbraw/zinc/10/33/91/823103391.db2.gz GICJKVZXAYIVMB-AWEZNQCLSA-N 2 1 269.392 3.081 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210520116 814506006 /nfs/dbraw/zinc/50/60/06/814506006.db2.gz XEBXLIRMCUUKBZ-MRXNPFEDSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210520116 814506009 /nfs/dbraw/zinc/50/60/09/814506009.db2.gz XEBXLIRMCUUKBZ-MRXNPFEDSA-N 2 1 290.451 3.274 20 0 CGADMP Oc1c(Cl)[nH]ccc1=[NH+]C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210707604 814590716 /nfs/dbraw/zinc/59/07/16/814590716.db2.gz ZGMZZHUYPSBRII-GFCCVEGCSA-N 2 1 293.798 3.385 20 0 CGADMP CC[C@H](Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1)C(C)C ZINC001218440519 816214031 /nfs/dbraw/zinc/21/40/31/816214031.db2.gz LLMDBVSURCFNKF-SFHVURJKSA-N 2 1 290.451 3.423 20 0 CGADMP C(C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)C1CCOCC1 ZINC001222153982 816361812 /nfs/dbraw/zinc/36/18/12/816361812.db2.gz DYJNBZIWIDVBEI-SFHVURJKSA-N 2 1 294.483 3.049 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2occc21 ZINC001222154419 816362982 /nfs/dbraw/zinc/36/29/82/816362982.db2.gz LGGVSEZHQJAKEI-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222230737 816379730 /nfs/dbraw/zinc/37/97/30/816379730.db2.gz CQBLSYKDQVFNAT-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c2c1 ZINC001222237719 816383760 /nfs/dbraw/zinc/38/37/60/816383760.db2.gz QVSRYSAKFHWQCT-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c2c1 ZINC001222237719 816383764 /nfs/dbraw/zinc/38/37/64/816383764.db2.gz QVSRYSAKFHWQCT-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c21 ZINC001222242670 816384122 /nfs/dbraw/zinc/38/41/22/816384122.db2.gz GIQDMSVYEWPJKO-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c21 ZINC001222242670 816384129 /nfs/dbraw/zinc/38/41/29/816384129.db2.gz GIQDMSVYEWPJKO-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP c1ccn(-c2ccccc2C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222254094 816387170 /nfs/dbraw/zinc/38/71/70/816387170.db2.gz VOMXAXIGGLVCDY-IBGZPJMESA-N 2 1 295.430 3.195 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222254094 816387176 /nfs/dbraw/zinc/38/71/76/816387176.db2.gz VOMXAXIGGLVCDY-IBGZPJMESA-N 2 1 295.430 3.195 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001222254006 816387808 /nfs/dbraw/zinc/38/78/08/816387808.db2.gz UPYURILRPUCJJZ-LJQANCHMSA-N 2 1 284.447 3.283 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001222254006 816387817 /nfs/dbraw/zinc/38/78/17/816387817.db2.gz UPYURILRPUCJJZ-LJQANCHMSA-N 2 1 284.447 3.283 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222283447 816395405 /nfs/dbraw/zinc/39/54/05/816395405.db2.gz YXDLHGXNAIXELD-PHDXLQKJSA-N 2 1 288.479 3.421 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222283447 816395415 /nfs/dbraw/zinc/39/54/15/816395415.db2.gz YXDLHGXNAIXELD-PHDXLQKJSA-N 2 1 288.479 3.421 20 0 CGADMP Cn1ccc2cc(C[NH+]3CCC4(CCCC[NH2+]4)CC3)ccc21 ZINC001222292910 816399487 /nfs/dbraw/zinc/39/94/87/816399487.db2.gz MGXGTIKNDVQXJS-UHFFFAOYSA-N 2 1 297.446 3.286 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)cc21 ZINC001222314072 816406168 /nfs/dbraw/zinc/40/61/68/816406168.db2.gz BMUBKNZYBKCZDE-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001222346772 816415045 /nfs/dbraw/zinc/41/50/45/816415045.db2.gz SIEPTIXMDQRBJL-GVDBMIGSSA-N 2 1 262.441 3.197 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465484 816451615 /nfs/dbraw/zinc/45/16/15/816451615.db2.gz RXICRAHHJYBLIO-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465484 816451620 /nfs/dbraw/zinc/45/16/20/816451620.db2.gz RXICRAHHJYBLIO-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP c1ccc([C@H]2C[N@H+](CCC3CCCC3)CC23C[NH2+]C3)cc1 ZINC001222595661 816474375 /nfs/dbraw/zinc/47/43/75/816474375.db2.gz GFKWTNDWDVGZFO-GOSISDBHSA-N 2 1 284.447 3.256 20 0 CGADMP CC[C@H]([NH3+])C[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC001222615702 816479750 /nfs/dbraw/zinc/47/97/50/816479750.db2.gz RYRAJUUINAFOCN-INIZCTEOSA-N 2 1 272.436 3.094 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2CCN(C)CC2)cc1C ZINC001231482970 818107681 /nfs/dbraw/zinc/10/76/81/818107681.db2.gz VAGNKTNLFFJYQW-UHFFFAOYSA-N 2 1 260.425 3.138 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC001231482970 818107686 /nfs/dbraw/zinc/10/76/86/818107686.db2.gz VAGNKTNLFFJYQW-UHFFFAOYSA-N 2 1 260.425 3.138 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC001231482970 818107690 /nfs/dbraw/zinc/10/76/90/818107690.db2.gz VAGNKTNLFFJYQW-UHFFFAOYSA-N 2 1 260.425 3.138 20 0 CGADMP Cc1c(C)c(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1C ZINC001231494923 818112759 /nfs/dbraw/zinc/11/27/59/818112759.db2.gz UCYSHYWWLDVQKW-HDICACEKSA-N 2 1 286.463 3.222 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1C ZINC001231494923 818112763 /nfs/dbraw/zinc/11/27/63/818112763.db2.gz UCYSHYWWLDVQKW-HDICACEKSA-N 2 1 286.463 3.222 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1C ZINC001231494923 818112770 /nfs/dbraw/zinc/11/27/70/818112770.db2.gz UCYSHYWWLDVQKW-HDICACEKSA-N 2 1 286.463 3.222 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001232015388 818234680 /nfs/dbraw/zinc/23/46/80/818234680.db2.gz GEIVTMZIZDJDQK-MLGOLLRUSA-N 2 1 255.365 3.327 20 0 CGADMP c1ccc(Oc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234978716 818968324 /nfs/dbraw/zinc/96/83/24/818968324.db2.gz JPZGAMCOGKLHHF-CALCHBBNSA-N 2 1 294.398 3.130 20 0 CGADMP c1ccc(Oc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234978716 818968326 /nfs/dbraw/zinc/96/83/26/818968326.db2.gz JPZGAMCOGKLHHF-CALCHBBNSA-N 2 1 294.398 3.130 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC001234994399 818972739 /nfs/dbraw/zinc/97/27/39/818972739.db2.gz SROBSRLVECSGMX-MRXNPFEDSA-N 2 1 278.465 3.276 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC001234994399 818972744 /nfs/dbraw/zinc/97/27/44/818972744.db2.gz SROBSRLVECSGMX-MRXNPFEDSA-N 2 1 278.465 3.276 20 0 CGADMP C[C@@H](C[N@@H+]1CC2CC1(C[NH3+])C2)c1cccc2ccccc21 ZINC001235008282 818978938 /nfs/dbraw/zinc/97/89/38/818978938.db2.gz QOBRPPINQIYLTM-XVTSOASTSA-N 2 1 280.415 3.366 20 0 CGADMP C[C@@H](C[N@H+]1CC2CC1(C[NH3+])C2)c1cccc2ccccc21 ZINC001235008282 818978942 /nfs/dbraw/zinc/97/89/42/818978942.db2.gz QOBRPPINQIYLTM-XVTSOASTSA-N 2 1 280.415 3.366 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1C ZINC001235031343 818984137 /nfs/dbraw/zinc/98/41/37/818984137.db2.gz FPFIIJXNSKDQSE-LJQANCHMSA-N 2 1 286.463 3.414 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1F ZINC001235040336 818987917 /nfs/dbraw/zinc/98/79/17/818987917.db2.gz KQEZVOWGSVQQCD-KRWDZBQOSA-N 2 1 294.389 3.115 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001235042141 818989013 /nfs/dbraw/zinc/98/90/13/818989013.db2.gz UXWKKMDUUMCKFW-IBGZPJMESA-N 2 1 284.447 3.010 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091376 818999804 /nfs/dbraw/zinc/99/98/04/818999804.db2.gz AFNTVMPOBYKFEQ-UHFFFAOYSA-N 2 1 276.399 3.018 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235140230 819015491 /nfs/dbraw/zinc/01/54/91/819015491.db2.gz HCVLYPTWNWYSPX-UHFFFAOYSA-N 2 1 292.854 3.491 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235144114 819015805 /nfs/dbraw/zinc/01/58/05/819015805.db2.gz KFSWAHYGKUDXKY-UHFFFAOYSA-N 2 1 270.420 3.282 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156555 819018676 /nfs/dbraw/zinc/01/86/76/819018676.db2.gz HDBJLCMCEIIWCP-SFHVURJKSA-N 2 1 290.426 3.488 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)o1 ZINC001235157288 819019125 /nfs/dbraw/zinc/01/91/25/819019125.db2.gz IETJWVKSPHPYQO-AWEZNQCLSA-N 2 1 282.815 3.287 20 0 CGADMP c1cnc2c(c1)cccc2C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235167520 819020891 /nfs/dbraw/zinc/02/08/91/819020891.db2.gz KLPPYLDSWYKIJG-LJQANCHMSA-N 2 1 295.430 3.343 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235167520 819020895 /nfs/dbraw/zinc/02/08/95/819020895.db2.gz KLPPYLDSWYKIJG-LJQANCHMSA-N 2 1 295.430 3.343 20 0 CGADMP c1ccc(C2(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)CC2)cc1 ZINC001235171565 819023053 /nfs/dbraw/zinc/02/30/53/819023053.db2.gz JZXFQIOXKPYIQU-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)CC2)cc1 ZINC001235171565 819023057 /nfs/dbraw/zinc/02/30/57/819023057.db2.gz JZXFQIOXKPYIQU-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235186150 819027779 /nfs/dbraw/zinc/02/77/79/819027779.db2.gz VTUWKRIEHUAJSX-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235186150 819027788 /nfs/dbraw/zinc/02/77/88/819027788.db2.gz VTUWKRIEHUAJSX-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235191636 819031288 /nfs/dbraw/zinc/03/12/88/819031288.db2.gz UOJAMOKKGBLEEX-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP Clc1ncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)s1 ZINC001235230187 819041881 /nfs/dbraw/zinc/04/18/81/819041881.db2.gz OIBUAHVSWGZAGH-ZDUSSCGKSA-N 2 1 299.871 3.151 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)CC(C)(C)C ZINC001235241576 819046796 /nfs/dbraw/zinc/04/67/96/819046796.db2.gz YCDGRLSJPCLSQF-SQWLQELKSA-N 2 1 252.446 3.262 20 0 CGADMP Cc1c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cccc1-c1ccccc1 ZINC001235264143 819057339 /nfs/dbraw/zinc/05/73/39/819057339.db2.gz WGEWXUFGIDVETH-UYAOXDASSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1c(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cccc1-c1ccccc1 ZINC001235264143 819057346 /nfs/dbraw/zinc/05/73/46/819057346.db2.gz WGEWXUFGIDVETH-UYAOXDASSA-N 2 1 292.426 3.456 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c1 ZINC001235338816 819070133 /nfs/dbraw/zinc/07/01/33/819070133.db2.gz CKCXILYHGQJJHU-HNNXBMFYSA-N 2 1 272.436 3.025 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235336774 819070288 /nfs/dbraw/zinc/07/02/88/819070288.db2.gz AHUSQSAHHJAPOD-CVEARBPZSA-N 2 1 264.457 3.300 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340801 819071667 /nfs/dbraw/zinc/07/16/67/819071667.db2.gz MMRRGDBBTHALMV-NSHDSACASA-N 2 1 299.245 3.343 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410058 819089708 /nfs/dbraw/zinc/08/97/08/819089708.db2.gz XHFXEVVGXFXALY-QZTJIDSGSA-N 2 1 290.426 3.081 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424076 819093153 /nfs/dbraw/zinc/09/31/53/819093153.db2.gz JOEHOEIPHCCZHH-DLBZAZTESA-N 2 1 264.457 3.278 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429825 819094757 /nfs/dbraw/zinc/09/47/57/819094757.db2.gz ROHYSTOQCYUMDB-OALUTQOASA-N 2 1 286.463 3.461 20 0 CGADMP CC(C)c1ccc(CC[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001235433599 819095733 /nfs/dbraw/zinc/09/57/33/819095733.db2.gz IRWPELQHGNMWFS-UHFFFAOYSA-N 2 1 274.452 3.284 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(COc2ccccc2)cc1 ZINC001235435189 819097920 /nfs/dbraw/zinc/09/79/20/819097920.db2.gz CAQOJNUVZUUBPE-UHFFFAOYSA-N 2 1 284.403 3.046 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+](C)CCC[NH3+])cc2)o1 ZINC001235435208 819098545 /nfs/dbraw/zinc/09/85/45/819098545.db2.gz CFLBQDMDEPQQND-UHFFFAOYSA-N 2 1 258.365 3.036 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235667216 819133589 /nfs/dbraw/zinc/13/35/89/819133589.db2.gz WGLJXGMUAIHZQE-MSOLQXFVSA-N 2 1 272.436 3.398 20 0 CGADMP C[N@H+](CCC[NH2+]C1CCCCC1)CCOc1ccccc1 ZINC001235673496 819133895 /nfs/dbraw/zinc/13/38/95/819133895.db2.gz APMNHBYVLWGJOU-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)CCOc1ccccc1 ZINC001235673496 819133897 /nfs/dbraw/zinc/13/38/97/819133897.db2.gz APMNHBYVLWGJOU-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001235676549 819136943 /nfs/dbraw/zinc/13/69/43/819136943.db2.gz SLXDSPQAPDCYRR-OAHLLOKOSA-N 2 1 258.409 3.125 20 0 CGADMP c1csc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001235680683 819140119 /nfs/dbraw/zinc/14/01/19/819140119.db2.gz WBVQWNNPTVKPIF-KBPBESRZSA-N 2 1 264.438 3.417 20 0 CGADMP c1sc2ccccc2c1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710866 819147439 /nfs/dbraw/zinc/14/74/39/819147439.db2.gz IXQVKJOCIGDATI-UHFFFAOYSA-N 2 1 272.417 3.087 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710866 819147441 /nfs/dbraw/zinc/14/74/41/819147441.db2.gz IXQVKJOCIGDATI-UHFFFAOYSA-N 2 1 272.417 3.087 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(O)c2ccccc12 ZINC001235717421 819149790 /nfs/dbraw/zinc/14/97/90/819149790.db2.gz UYDWQPOSVLFEEL-UHFFFAOYSA-N 2 1 298.430 3.367 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235716994 819150380 /nfs/dbraw/zinc/15/03/80/819150380.db2.gz ANNFNMWOLQXMDI-UHFFFAOYSA-N 2 1 278.415 3.264 20 0 CGADMP Fc1ccccc1[C@H]1CCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235719097 819151831 /nfs/dbraw/zinc/15/18/31/819151831.db2.gz RYIPOMCRLPBQKN-RHSMWYFYSA-N 2 1 276.399 3.495 20 0 CGADMP Fc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235719097 819151834 /nfs/dbraw/zinc/15/18/34/819151834.db2.gz RYIPOMCRLPBQKN-RHSMWYFYSA-N 2 1 276.399 3.495 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC001235725541 819153907 /nfs/dbraw/zinc/15/39/07/819153907.db2.gz JDVOHYXIDMDBKE-UHFFFAOYSA-N 2 1 274.433 3.475 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)c1C ZINC001235748657 819160480 /nfs/dbraw/zinc/16/04/80/819160480.db2.gz DEEMQSAAYBOYMJ-INIZCTEOSA-N 2 1 260.425 3.009 20 0 CGADMP CC[N@@H+](Cc1ccccc1C(C)C)C1CC[NH2+]CC1 ZINC001235761610 819161602 /nfs/dbraw/zinc/16/16/02/819161602.db2.gz NDNGYBYSLNMERO-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+](CC)C1CC[NH2+]CC1 ZINC001235764420 819164249 /nfs/dbraw/zinc/16/42/49/819164249.db2.gz BMPXILOLHLYMRI-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235764420 819164253 /nfs/dbraw/zinc/16/42/53/819164253.db2.gz BMPXILOLHLYMRI-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCc1cccc(Cl)c1 ZINC001235839192 819182713 /nfs/dbraw/zinc/18/27/13/819182713.db2.gz MIRVKASZABMBFP-UHFFFAOYSA-N 2 1 268.832 3.333 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2cccccc1-2 ZINC001235890381 819198924 /nfs/dbraw/zinc/19/89/24/819198924.db2.gz DXPYGZTYTJPBHW-CJNGLKHVSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2cccccc1-2 ZINC001235890381 819198926 /nfs/dbraw/zinc/19/89/26/819198926.db2.gz DXPYGZTYTJPBHW-CJNGLKHVSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001235893974 819203106 /nfs/dbraw/zinc/20/31/06/819203106.db2.gz YVIYXPJOXOAYSC-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1cccc(Cl)c1 ZINC001235893974 819203109 /nfs/dbraw/zinc/20/31/09/819203109.db2.gz YVIYXPJOXOAYSC-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc12 ZINC001235930943 819229024 /nfs/dbraw/zinc/22/90/24/819229024.db2.gz YLTCFMOCVJNIQB-DOTOQJQBSA-N 2 1 280.415 3.190 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235930982 819229473 /nfs/dbraw/zinc/22/94/73/819229473.db2.gz YXULMHMRTZLMDH-ULQDDVLXSA-N 2 1 264.457 3.300 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001235934803 819230132 /nfs/dbraw/zinc/23/01/32/819230132.db2.gz NPWRRLBPPUWIMM-HNNXBMFYSA-N 2 1 264.388 3.134 20 0 CGADMP Fc1cccc2c(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cccc12 ZINC001235938617 819231982 /nfs/dbraw/zinc/23/19/82/819231982.db2.gz LOHLDMRDCINLPD-UKRRQHHQSA-N 2 1 284.378 3.020 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)s1 ZINC001235937066 819232131 /nfs/dbraw/zinc/23/21/31/819232131.db2.gz HVXHFOWIRCNODA-KGLIPLIRSA-N 2 1 278.465 3.132 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC001235937068 819232397 /nfs/dbraw/zinc/23/23/97/819232397.db2.gz HVXHFOWIRCNODA-UONOGXRCSA-N 2 1 278.465 3.132 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)c1C ZINC001235939533 819233719 /nfs/dbraw/zinc/23/37/19/819233719.db2.gz PUBVDONAPTUDCS-ROUUACIJSA-N 2 1 286.463 3.270 20 0 CGADMP COCC[N@@H+](Cc1cccc(C(C)C)c1)C1CC[NH2+]CC1 ZINC001235943077 819236505 /nfs/dbraw/zinc/23/65/05/819236505.db2.gz FTKZCWUWSBVTNM-UHFFFAOYSA-N 2 1 290.451 3.010 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)C[C@H]3CCC[NH2+]C3)cc21 ZINC001235951790 819241818 /nfs/dbraw/zinc/24/18/18/819241818.db2.gz TVCQXJQXWXQDEM-INIZCTEOSA-N 2 1 285.435 3.093 20 0 CGADMP C[N@@H+](Cc1cc2cc(Cl)ccc2[nH]1)C[C@H]1CCC[NH2+]C1 ZINC001235950459 819242037 /nfs/dbraw/zinc/24/20/37/819242037.db2.gz HGKPEIZDQBGPRZ-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1cc2cc(Cl)ccc2[nH]1)C[C@H]1CCC[NH2+]C1 ZINC001235950459 819242044 /nfs/dbraw/zinc/24/20/44/819242044.db2.gz HGKPEIZDQBGPRZ-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235957671 819246401 /nfs/dbraw/zinc/24/64/01/819246401.db2.gz RJMXQNSEWSUYKS-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235957671 819246407 /nfs/dbraw/zinc/24/64/07/819246407.db2.gz RJMXQNSEWSUYKS-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001235960604 819250181 /nfs/dbraw/zinc/25/01/81/819250181.db2.gz UTTPUQPVYKRNMR-SFHVURJKSA-N 2 1 283.419 3.174 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001236040404 819280268 /nfs/dbraw/zinc/28/02/68/819280268.db2.gz CBVLQISLVMJGJD-QGZVFWFLSA-N 2 1 294.483 3.047 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001236052845 819288675 /nfs/dbraw/zinc/28/86/75/819288675.db2.gz VWJHFRSTDWRYNC-KDOFPFPSSA-N 2 1 296.414 3.228 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001236052845 819288678 /nfs/dbraw/zinc/28/86/78/819288678.db2.gz VWJHFRSTDWRYNC-KDOFPFPSSA-N 2 1 296.414 3.228 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236061489 819293334 /nfs/dbraw/zinc/29/33/34/819293334.db2.gz YNFLFMGRCKACFM-RDJZCZTQSA-N 2 1 288.435 3.110 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236061489 819293338 /nfs/dbraw/zinc/29/33/38/819293338.db2.gz YNFLFMGRCKACFM-RDJZCZTQSA-N 2 1 288.435 3.110 20 0 CGADMP C[C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)CC(C)(C)C ZINC001236061356 819294286 /nfs/dbraw/zinc/29/42/86/819294286.db2.gz XCLZXYBEBSUKMM-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)CC(C)(C)C ZINC001236061356 819294291 /nfs/dbraw/zinc/29/42/91/819294291.db2.gz XCLZXYBEBSUKMM-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236073753 819302441 /nfs/dbraw/zinc/30/24/41/819302441.db2.gz QPNLLLWLTUCRKR-JXCVUKRWSA-N 2 1 293.499 3.010 20 0 CGADMP [NH3+]C12CC(C[N@H+]3CCC[C@H]3c3c[nH]c4ccccc34)(C1)C2 ZINC001236189322 819362762 /nfs/dbraw/zinc/36/27/62/819362762.db2.gz LMCFTDZSUOZCIQ-AOCRQIFASA-N 2 1 281.403 3.186 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC001236189319 819363082 /nfs/dbraw/zinc/36/30/82/819363082.db2.gz LLKULNLAMJYPCM-NVXWUHKLSA-N 2 1 298.430 3.211 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)C[C@H]2CCC(C)=C[C@H]2C)CC1 ZINC001236212642 819374669 /nfs/dbraw/zinc/37/46/69/819374669.db2.gz KCUVIPISPDOYIC-NUWOQIAWSA-N 2 1 264.457 3.441 20 0 CGADMP C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213756 819376782 /nfs/dbraw/zinc/37/67/82/819376782.db2.gz BFXLWBXRQMMMPV-ZWKOTPCHSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213756 819376786 /nfs/dbraw/zinc/37/67/86/819376786.db2.gz BFXLWBXRQMMMPV-ZWKOTPCHSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccn2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219134 819385506 /nfs/dbraw/zinc/38/55/06/819385506.db2.gz UZDXLUXFOGWXNS-PKOBYXMFSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccn2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219134 819385513 /nfs/dbraw/zinc/38/55/13/819385513.db2.gz UZDXLUXFOGWXNS-PKOBYXMFSA-N 2 1 295.430 3.450 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226133 819390642 /nfs/dbraw/zinc/39/06/42/819390642.db2.gz JSZDCYXFZBBJGR-UHFFFAOYSA-N 2 1 264.388 3.016 20 0 CGADMP c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)CCS2 ZINC001236239061 819397527 /nfs/dbraw/zinc/39/75/27/819397527.db2.gz FAOTWPBWUYVMHH-UHFFFAOYSA-N 2 1 296.439 3.398 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+](C)CC1(F)CC[NH2+]CC1 ZINC001236245277 819402313 /nfs/dbraw/zinc/40/23/13/819402313.db2.gz SGPNRBNQCZAHPC-LBPRGKRZSA-N 2 1 284.806 3.425 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC1(F)CC[NH2+]CC1 ZINC001236245277 819402317 /nfs/dbraw/zinc/40/23/17/819402317.db2.gz SGPNRBNQCZAHPC-LBPRGKRZSA-N 2 1 284.806 3.425 20 0 CGADMP c1ccc(C[N@H+](CCC2CC2)C2CC[NH2+]CC2)cc1 ZINC001236288433 819414097 /nfs/dbraw/zinc/41/40/97/819414097.db2.gz YWKZWBZKOSPMPR-UHFFFAOYSA-N 2 1 258.409 3.041 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCCCCCCC1 ZINC001236308962 819418455 /nfs/dbraw/zinc/41/84/55/819418455.db2.gz YYKJFKFXSOKUTK-KGLIPLIRSA-N 2 1 274.399 3.133 20 0 CGADMP Clc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Cl ZINC001236314154 819420861 /nfs/dbraw/zinc/42/08/61/819420861.db2.gz ICKMQFBVAWEXOE-BETUJISGSA-N 2 1 299.245 3.425 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320384 819424706 /nfs/dbraw/zinc/42/47/06/819424706.db2.gz BIFUBPZSGDXBIR-IYBDPMFKSA-N 2 1 290.476 3.148 20 0 CGADMP CC[N@H+]1CCc2cc(-c3cccc4c3CC[NH2+]C4)ccc2C1 ZINC001236348389 819430508 /nfs/dbraw/zinc/43/05/08/819430508.db2.gz MNCWMDLXQCANQH-UHFFFAOYSA-N 2 1 292.426 3.377 20 0 CGADMP CC[C@@H](C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236370364 819439242 /nfs/dbraw/zinc/43/92/42/819439242.db2.gz DRIIPMBVPMOMDP-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236408293 819455919 /nfs/dbraw/zinc/45/59/19/819455919.db2.gz MTNPFRHUGONPNL-JKSUJKDBSA-N 2 1 252.446 3.300 20 0 CGADMP CC[N@H+](Cc1cccc(OC(C)(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236412487 819458579 /nfs/dbraw/zinc/45/85/79/819458579.db2.gz VNELLRKLGSBYAZ-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP Cc1c(F)cccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236475904 819494081 /nfs/dbraw/zinc/49/40/81/819494081.db2.gz ZVOBJTLFRICFEV-MRXNPFEDSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1c(F)cccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236475904 819494085 /nfs/dbraw/zinc/49/40/85/819494085.db2.gz ZVOBJTLFRICFEV-MRXNPFEDSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](CC1CCC1)C1CC[NH2+]CC1 ZINC001236517624 819510949 /nfs/dbraw/zinc/51/09/49/819510949.db2.gz MMAFXROOYVBDDF-UHFFFAOYSA-N 2 1 290.426 3.488 20 0 CGADMP Nc1ccccc1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236573866 819540576 /nfs/dbraw/zinc/54/05/76/819540576.db2.gz IACIJWDSLGGFPF-JCNLHEQBSA-N 2 1 287.451 3.283 20 0 CGADMP Clc1cccc(CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584511 819545744 /nfs/dbraw/zinc/54/57/44/819545744.db2.gz GABCWHFBHYKAQF-OAHLLOKOSA-N 2 1 292.854 3.347 20 0 CGADMP Cc1cccc(CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584543 819546202 /nfs/dbraw/zinc/54/62/02/819546202.db2.gz KXQKQWDQAYHGLY-QGZVFWFLSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001236592507 819546681 /nfs/dbraw/zinc/54/66/81/819546681.db2.gz BRKMORUONJKNBG-HOTGVXAUSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001236592507 819546685 /nfs/dbraw/zinc/54/66/85/819546685.db2.gz BRKMORUONJKNBG-HOTGVXAUSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001236592507 819546686 /nfs/dbraw/zinc/54/66/86/819546686.db2.gz BRKMORUONJKNBG-HOTGVXAUSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001236592507 819546691 /nfs/dbraw/zinc/54/66/91/819546691.db2.gz BRKMORUONJKNBG-HOTGVXAUSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc(F)c1F ZINC001236601601 819550490 /nfs/dbraw/zinc/55/04/90/819550490.db2.gz NMUWLTHVFTZSEV-CYBMUJFWSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc(F)c1F ZINC001236601601 819550493 /nfs/dbraw/zinc/55/04/93/819550493.db2.gz NMUWLTHVFTZSEV-CYBMUJFWSA-N 2 1 294.389 3.237 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236616920 819554107 /nfs/dbraw/zinc/55/41/07/819554107.db2.gz SIHLNAVQGRGGGH-HXUWFJFHSA-N 2 1 294.442 3.448 20 0 CGADMP CCC[N@@H+](CCCCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236830901 819611820 /nfs/dbraw/zinc/61/18/20/819611820.db2.gz PLWNSFNEDUFYJF-SFHVURJKSA-N 2 1 274.452 3.331 20 0 CGADMP CCC[N@H+](Cc1c(C)cc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236833307 819612976 /nfs/dbraw/zinc/61/29/76/819612976.db2.gz ADZSXCJIBKQHAP-QGZVFWFLSA-N 2 1 274.452 3.433 20 0 CGADMP CCC[N@@H+](Cc1cc(Cl)ccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236835995 819614375 /nfs/dbraw/zinc/61/43/75/819614375.db2.gz RXHAVQZDIKVLSA-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)ccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236835995 819614377 /nfs/dbraw/zinc/61/43/77/819614377.db2.gz RXHAVQZDIKVLSA-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1ccccc1OC(F)F)C[C@H]1CC[NH2+]C1 ZINC001236835956 819614919 /nfs/dbraw/zinc/61/49/19/819614919.db2.gz RGGPGQIRUIPVFZ-ZDUSSCGKSA-N 2 1 298.377 3.110 20 0 CGADMP CCC[N@H+](Cc1ccc2cc(C)ccc2n1)C[C@@H]1CC[NH2+]C1 ZINC001236836538 819616614 /nfs/dbraw/zinc/61/66/14/819616614.db2.gz XAZWSZHBWHULCC-MRXNPFEDSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836849 819617200 /nfs/dbraw/zinc/61/72/00/819617200.db2.gz YLIDPGBGOVTTCS-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1ccccc1-n1cccc1)C[C@@H]1CC[NH2+]C1 ZINC001236841875 819618168 /nfs/dbraw/zinc/61/81/68/819618168.db2.gz AMBKUZCDWSJBCD-QGZVFWFLSA-N 2 1 297.446 3.299 20 0 CGADMP CCC[N@H+](Cc1c2ccoc2ccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236843800 819618932 /nfs/dbraw/zinc/61/89/32/819618932.db2.gz LPXARDHWJDSPQR-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP CCC[N@H+](Cc1cccc2nccc(C)c12)C[C@@H]1CC[NH2+]C1 ZINC001236842945 819619223 /nfs/dbraw/zinc/61/92/23/819619223.db2.gz IDMCCSJAWGQWJO-MRXNPFEDSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@H+](Cc1cc(F)c(C)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236845202 819620319 /nfs/dbraw/zinc/62/03/19/819620319.db2.gz ZREILIODUUSORK-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155865 819682984 /nfs/dbraw/zinc/68/29/84/819682984.db2.gz UDKSFJZABODYJZ-MRXNPFEDSA-N 2 1 288.435 3.116 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155865 819682986 /nfs/dbraw/zinc/68/29/86/819682986.db2.gz UDKSFJZABODYJZ-MRXNPFEDSA-N 2 1 288.435 3.116 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1OC=CC1=S ZINC001237183447 819689104 /nfs/dbraw/zinc/68/91/04/819689104.db2.gz IXZASWBVLPDOLR-KBPBESRZSA-N 2 1 294.464 3.407 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1OC=CC1=S ZINC001237183447 819689107 /nfs/dbraw/zinc/68/91/07/819689107.db2.gz IXZASWBVLPDOLR-KBPBESRZSA-N 2 1 294.464 3.407 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1OC=CC1=S ZINC001237183447 819689110 /nfs/dbraw/zinc/68/91/10/819689110.db2.gz IXZASWBVLPDOLR-KBPBESRZSA-N 2 1 294.464 3.407 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237379940 819737439 /nfs/dbraw/zinc/73/74/39/819737439.db2.gz DWUGXATUXGORTH-MOPGFXCFSA-N 2 1 280.415 3.414 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237380708 819737962 /nfs/dbraw/zinc/73/79/62/819737962.db2.gz GYYMRYJRXOGXOD-VNQPRFMTSA-N 2 1 276.424 3.156 20 0 CGADMP Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237395617 819743671 /nfs/dbraw/zinc/74/36/71/819743671.db2.gz YGBGMGCJJILVRW-CRAIPNDOSA-N 2 1 296.414 3.119 20 0 CGADMP Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237395622 819744038 /nfs/dbraw/zinc/74/40/38/819744038.db2.gz YGBGMGCJJILVRW-YJBOKZPZSA-N 2 1 296.414 3.119 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412395 819747466 /nfs/dbraw/zinc/74/74/66/819747466.db2.gz IHNLXKRCJLBTLN-RDJZCZTQSA-N 2 1 290.476 3.291 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412395 819747470 /nfs/dbraw/zinc/74/74/70/819747470.db2.gz IHNLXKRCJLBTLN-RDJZCZTQSA-N 2 1 290.476 3.291 20 0 CGADMP C[N@H+](CC/C=C/c1cccnc1)Cc1cccc2c[nH+]cn21 ZINC001238105087 819936540 /nfs/dbraw/zinc/93/65/40/819936540.db2.gz BZFHDJVZUVHZAI-QHHAFSJGSA-N 2 1 292.386 3.265 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)Cc1cccc2c[nH+]cn21 ZINC001238105087 819936546 /nfs/dbraw/zinc/93/65/46/819936546.db2.gz BZFHDJVZUVHZAI-QHHAFSJGSA-N 2 1 292.386 3.265 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001238557063 820043205 /nfs/dbraw/zinc/04/32/05/820043205.db2.gz OXQVMDYKORGVQU-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP CCc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001239589576 820438168 /nfs/dbraw/zinc/43/81/68/820438168.db2.gz ZAYYTICDPDHGOR-UHFFFAOYSA-N 2 1 277.371 3.251 20 0 CGADMP C[C@H]([NH3+])c1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001240477498 821081426 /nfs/dbraw/zinc/08/14/26/821081426.db2.gz KSCSWOYZOUMWNN-HNNXBMFYSA-N 2 1 296.414 3.206 20 0 CGADMP Nc1cc(-c2ccc(SC3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC001241175682 821617276 /nfs/dbraw/zinc/61/72/76/821617276.db2.gz JXANDTFDXCADGM-UHFFFAOYSA-N 2 1 285.416 3.175 20 0 CGADMP Cc1c[nH+]c(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1N ZINC001241502664 821903523 /nfs/dbraw/zinc/90/35/23/821903523.db2.gz RDNQTBWOOMVKTE-UHFFFAOYSA-N 2 1 279.387 3.262 20 0 CGADMP C[N@H+]1CCC=C(c2ccc(C[NH+]3CCCC3)c(F)c2)C1 ZINC001241572360 821958545 /nfs/dbraw/zinc/95/85/45/821958545.db2.gz YMEKBKSBDJDVDF-UHFFFAOYSA-N 2 1 274.383 3.140 20 0 CGADMP Cc1c(F)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1F ZINC001242287227 822939658 /nfs/dbraw/zinc/93/96/58/822939658.db2.gz XWWDLHHPJXCZRI-UHFFFAOYSA-N 2 1 299.324 3.275 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC001340513772 936406829 /nfs/dbraw/zinc/40/68/29/936406829.db2.gz JBNBGMKLCVOSDV-IEBWSBKVSA-N 2 1 286.463 3.329 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C12CCCC2 ZINC001341793043 936451110 /nfs/dbraw/zinc/45/11/10/936451110.db2.gz ITVAPFYDAFPEGG-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001342709869 936476488 /nfs/dbraw/zinc/47/64/88/936476488.db2.gz NSLDDVMELMIWMJ-BMFZPTHFSA-N 2 1 252.446 3.418 20 0 CGADMP FC(F)(F)CCC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001343205625 936491376 /nfs/dbraw/zinc/49/13/76/936491376.db2.gz OGMYYUVLPULPJM-LBPRGKRZSA-N 2 1 278.362 3.326 20 0 CGADMP FC(F)(F)CCC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001343205625 936491379 /nfs/dbraw/zinc/49/13/79/936491379.db2.gz OGMYYUVLPULPJM-LBPRGKRZSA-N 2 1 278.362 3.326 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC001350144370 936980723 /nfs/dbraw/zinc/98/07/23/936980723.db2.gz DBSUGCFKXVFBRA-WCVJEAGWSA-N 2 1 264.457 3.133 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cc3ccccc3[nH]2)CC1(C)C ZINC001351331624 937014700 /nfs/dbraw/zinc/01/47/00/937014700.db2.gz YBSCYJSJZMFFFU-MRXNPFEDSA-N 2 1 285.435 3.173 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)C1 ZINC001356083084 937152680 /nfs/dbraw/zinc/15/26/80/937152680.db2.gz JLGUVHZTYKWLKY-DZJNRPSUSA-N 2 1 270.420 3.125 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158094414 928257934 /nfs/dbraw/zinc/25/79/34/928257934.db2.gz UMHRRWDEKLLMQD-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCCc1ccc(F)c(F)c1 ZINC001560882797 937237866 /nfs/dbraw/zinc/23/78/66/937237866.db2.gz ZNOYDSJLFZDOJU-UHFFFAOYSA-N 2 1 296.405 3.361 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]CCCc1ccc(F)c(F)c1 ZINC001560882797 937237867 /nfs/dbraw/zinc/23/78/67/937237867.db2.gz ZNOYDSJLFZDOJU-UHFFFAOYSA-N 2 1 296.405 3.361 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001308555033 928531072 /nfs/dbraw/zinc/53/10/72/928531072.db2.gz UHRNGXROPWNZQP-JSRQGNBESA-N 2 1 264.457 3.133 20 0 CGADMP Fc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(Cl)c1 ZINC001461567267 928756961 /nfs/dbraw/zinc/75/69/61/928756961.db2.gz VIXRARGBDPLSSV-UHFFFAOYSA-N 2 1 289.741 3.417 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H]1CCC[C@@H](C)C1 ZINC001460254200 937522971 /nfs/dbraw/zinc/52/29/71/937522971.db2.gz SOEMLMCSPQNERV-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCC2CCCCC2)CCO1 ZINC001460537936 937534298 /nfs/dbraw/zinc/53/42/98/937534298.db2.gz QTHMKIMGWYMOAB-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001460720118 937541887 /nfs/dbraw/zinc/54/18/87/937541887.db2.gz KFAYOZLXISSUKW-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001460720118 937541889 /nfs/dbraw/zinc/54/18/89/937541889.db2.gz KFAYOZLXISSUKW-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461569223 937586724 /nfs/dbraw/zinc/58/67/24/937586724.db2.gz YBXGMZIWFFRLKZ-SFHVURJKSA-N 2 1 286.463 3.398 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461569223 937586725 /nfs/dbraw/zinc/58/67/25/937586725.db2.gz YBXGMZIWFFRLKZ-SFHVURJKSA-N 2 1 286.463 3.398 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001461899677 937605268 /nfs/dbraw/zinc/60/52/68/937605268.db2.gz OTZYOWJWVAGYCD-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCc2cc(C)cc(C)c2)CC1 ZINC001462039538 937613973 /nfs/dbraw/zinc/61/39/73/937613973.db2.gz JRFALRMZBDTDKE-UHFFFAOYSA-N 2 1 274.452 3.262 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCc2cc(C)cc(C)c2)CC1 ZINC001462039538 937613975 /nfs/dbraw/zinc/61/39/75/937613975.db2.gz JRFALRMZBDTDKE-UHFFFAOYSA-N 2 1 274.452 3.262 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC001462188299 937624077 /nfs/dbraw/zinc/62/40/77/937624077.db2.gz BWFSHEMWVGDFID-OLZOCXBDSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@@H]([NH2+]CC1CC(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001334765990 932770403 /nfs/dbraw/zinc/77/04/03/932770403.db2.gz FJGVIUDGLWBRAO-KNIAUWFNSA-N 2 1 264.457 3.275 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CC[C@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001307978469 933028627 /nfs/dbraw/zinc/02/86/27/933028627.db2.gz PEUJWLWNTUILRH-MISYRCLQSA-N 2 1 298.474 3.380 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001308159617 933061595 /nfs/dbraw/zinc/06/15/95/933061595.db2.gz JASVPKIMOACXSO-IAGOWNOFSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001308159617 933061597 /nfs/dbraw/zinc/06/15/97/933061597.db2.gz JASVPKIMOACXSO-IAGOWNOFSA-N 2 1 291.439 3.005 20 0 CGADMP CC[C@H](C[NH2+]CC(C)(C)c1ccccc1)[NH+]1CCCC1 ZINC001308194765 933070890 /nfs/dbraw/zinc/07/08/90/933070890.db2.gz NTCOFFQHRLLMOH-QGZVFWFLSA-N 2 1 274.452 3.428 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001308245590 933080795 /nfs/dbraw/zinc/08/07/95/933080795.db2.gz YWDUJUPGMQCUEB-LJISPDSOSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC3(CCC3)CC2)CCCO1 ZINC001308369134 933102739 /nfs/dbraw/zinc/10/27/39/933102739.db2.gz HXXILZPDSNFIHO-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC3(CCC3)CC2)CCCO1 ZINC001308369134 933102740 /nfs/dbraw/zinc/10/27/40/933102740.db2.gz HXXILZPDSNFIHO-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP CC[N@@H+](CCC[NH2+]CC(C)(C)COC)C1CCCCC1 ZINC001308455553 933114129 /nfs/dbraw/zinc/11/41/29/933114129.db2.gz MOBQTXOWPUSHFZ-UHFFFAOYSA-N 2 1 284.488 3.293 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001308553118 933130764 /nfs/dbraw/zinc/13/07/64/933130764.db2.gz HCIGSXYQCFXQKT-JSRQGNBESA-N 2 1 264.457 3.131 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001308596071 933139962 /nfs/dbraw/zinc/13/99/62/933139962.db2.gz HRTWPSYTYOQPRQ-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1csc(C)c1C ZINC001308745371 933167968 /nfs/dbraw/zinc/16/79/68/933167968.db2.gz WFPIBZWMMIMJAD-UHFFFAOYSA-N 2 1 254.443 3.139 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1csc(C)c1C ZINC001308745371 933167969 /nfs/dbraw/zinc/16/79/69/933167969.db2.gz WFPIBZWMMIMJAD-UHFFFAOYSA-N 2 1 254.443 3.139 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)CC1Cc2ccccc2C1 ZINC001308744958 933168702 /nfs/dbraw/zinc/16/87/02/933168702.db2.gz LYYIGONOTOMTTL-UHFFFAOYSA-N 2 1 288.479 3.455 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCCc2ccc(F)c(F)c2)C1 ZINC001308864374 933193063 /nfs/dbraw/zinc/19/30/63/933193063.db2.gz PTSQYILLHQELHG-HNNXBMFYSA-N 2 1 296.405 3.219 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1 ZINC001308980697 933220139 /nfs/dbraw/zinc/22/01/39/933220139.db2.gz BKZZGYAJTRTFPX-JQHSSLGASA-N 2 1 290.451 3.227 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC001319282197 933853182 /nfs/dbraw/zinc/85/31/82/933853182.db2.gz HNDZNQOBFLUKNV-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC001319282197 933853192 /nfs/dbraw/zinc/85/31/92/933853192.db2.gz HNDZNQOBFLUKNV-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC001324158422 934467839 /nfs/dbraw/zinc/46/78/39/934467839.db2.gz LWVHTRMYKMUVBX-AAEUAGOBSA-N 2 1 289.810 3.141 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001324702206 934551426 /nfs/dbraw/zinc/55/14/26/934551426.db2.gz VJKLNYYJLNYRLB-XSLAGTTESA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC001473725851 937819071 /nfs/dbraw/zinc/81/90/71/937819071.db2.gz WLCOWVAXQNJEMD-MOPGFXCFSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC001473725851 937819073 /nfs/dbraw/zinc/81/90/73/937819073.db2.gz WLCOWVAXQNJEMD-MOPGFXCFSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC001473725851 937819075 /nfs/dbraw/zinc/81/90/75/937819075.db2.gz WLCOWVAXQNJEMD-MOPGFXCFSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC001473725851 937819077 /nfs/dbraw/zinc/81/90/77/937819077.db2.gz WLCOWVAXQNJEMD-MOPGFXCFSA-N 2 1 286.463 3.411 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC001328815767 935171024 /nfs/dbraw/zinc/17/10/24/935171024.db2.gz NBEFBPGCGTWNEX-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329499379 935221123 /nfs/dbraw/zinc/22/11/23/935221123.db2.gz ONFPRGBVNQNXQJ-LBPRGKRZSA-N 2 1 291.266 3.036 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001333677756 935560582 /nfs/dbraw/zinc/56/05/82/935560582.db2.gz ZSHSWRFFPFMKJZ-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+](CC)C1CC[NH+](CCCC(C)(F)F)CC1 ZINC001333770008 936064658 /nfs/dbraw/zinc/06/46/58/936064658.db2.gz KEFFKPLTUOYQPM-UHFFFAOYSA-N 2 1 262.388 3.228 20 0 CGADMP FC(F)(F)CCC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001333837127 936069948 /nfs/dbraw/zinc/06/99/48/936069948.db2.gz ATZWSHHUNKCQQS-ZDUSSCGKSA-N 2 1 278.362 3.041 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC001333924501 936075524 /nfs/dbraw/zinc/07/55/24/936075524.db2.gz PWMURWLHNKMVDH-JKSUJKDBSA-N 2 1 296.418 3.279 20 0 CGADMP CS[C@H]1CC[C@@H]([N@@H+](C)CCCCn2ccnc2C)C1 ZINC001335286888 936137279 /nfs/dbraw/zinc/13/72/79/936137279.db2.gz TVLXIUHVKSLWGB-CABCVRRESA-N 2 1 281.469 3.188 20 0 CGADMP CS[C@H]1CC[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC001335286888 936137282 /nfs/dbraw/zinc/13/72/82/936137282.db2.gz TVLXIUHVKSLWGB-CABCVRRESA-N 2 1 281.469 3.188 20 0 CGADMP CS[C@H]1CC[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC001335286888 936137286 /nfs/dbraw/zinc/13/72/86/936137286.db2.gz TVLXIUHVKSLWGB-CABCVRRESA-N 2 1 281.469 3.188 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001335433336 936145225 /nfs/dbraw/zinc/14/52/25/936145225.db2.gz PMPQEFMOSYJWTE-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001335433336 936145227 /nfs/dbraw/zinc/14/52/27/936145227.db2.gz PMPQEFMOSYJWTE-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC001473939696 937831478 /nfs/dbraw/zinc/83/14/78/937831478.db2.gz SJAVRGOCCGFFKC-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC001473939696 937831480 /nfs/dbraw/zinc/83/14/80/937831480.db2.gz SJAVRGOCCGFFKC-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001473974831 937833315 /nfs/dbraw/zinc/83/33/15/937833315.db2.gz NAUGBDWGURAAKC-CGTJXYLNSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001473974831 937833317 /nfs/dbraw/zinc/83/33/17/937833317.db2.gz NAUGBDWGURAAKC-CGTJXYLNSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001473974834 937833396 /nfs/dbraw/zinc/83/33/96/937833396.db2.gz NAUGBDWGURAAKC-SZMVWBNQSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001473974834 937833397 /nfs/dbraw/zinc/83/33/97/937833397.db2.gz NAUGBDWGURAAKC-SZMVWBNQSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](CC[NH2+]Cc1cccn1C(F)F)[NH+]1CCCCC1 ZINC001474436453 937859859 /nfs/dbraw/zinc/85/98/59/937859859.db2.gz GECJJBVTMIAFKE-CYBMUJFWSA-N 2 1 285.382 3.237 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(CC2CCC2)c1 ZINC001474506808 937863594 /nfs/dbraw/zinc/86/35/94/937863594.db2.gz QKNUPPAPYCPFOX-UHFFFAOYSA-N 2 1 274.452 3.413 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(CC2CCC2)c1 ZINC001474506808 937863596 /nfs/dbraw/zinc/86/35/96/937863596.db2.gz QKNUPPAPYCPFOX-UHFFFAOYSA-N 2 1 274.452 3.413 20 0 CGADMP CCCOC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC001474504002 937863656 /nfs/dbraw/zinc/86/36/56/937863656.db2.gz YHUJEFRHLGZVPB-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C12CCC2 ZINC001474536854 937865869 /nfs/dbraw/zinc/86/58/69/937865869.db2.gz FXGHGOSWLXBIDH-ULQDDVLXSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001474555816 937866809 /nfs/dbraw/zinc/86/68/09/937866809.db2.gz BDIIMUDIQZXSCQ-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001474555816 937866813 /nfs/dbraw/zinc/86/68/13/937866813.db2.gz BDIIMUDIQZXSCQ-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129718 938163152 /nfs/dbraw/zinc/16/31/52/938163152.db2.gz VLUMOIDXUWKFQE-HCXYKTFWSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129718 938163153 /nfs/dbraw/zinc/16/31/53/938163153.db2.gz VLUMOIDXUWKFQE-HCXYKTFWSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129718 938163154 /nfs/dbraw/zinc/16/31/54/938163154.db2.gz VLUMOIDXUWKFQE-HCXYKTFWSA-N 2 1 284.447 3.206 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)c12 ZINC001550170844 938163869 /nfs/dbraw/zinc/16/38/69/938163869.db2.gz ZLCBRCPTFSJBBT-HZPDHXFCSA-N 2 1 281.403 3.074 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)c12 ZINC001550170844 938163870 /nfs/dbraw/zinc/16/38/70/938163870.db2.gz ZLCBRCPTFSJBBT-HZPDHXFCSA-N 2 1 281.403 3.074 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2C[C@H]2C[NH2+]C[C@H]2C)sc1C ZINC001550352859 938166109 /nfs/dbraw/zinc/16/61/09/938166109.db2.gz GYQNXCXAKZTJKU-DFBGVHRSSA-N 2 1 293.480 3.142 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H]2C[NH2+]C[C@H]2C)sc1C ZINC001550352859 938166110 /nfs/dbraw/zinc/16/61/10/938166110.db2.gz GYQNXCXAKZTJKU-DFBGVHRSSA-N 2 1 293.480 3.142 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2C[C@H]2CC[C@H]([NH3+])C2)sc1C ZINC001550353528 938166325 /nfs/dbraw/zinc/16/63/25/938166325.db2.gz PGJQYKBCNBHAGP-KKUMJFAQSA-N 2 1 293.480 3.414 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC[NH2+]2)cc1 ZINC001550475005 938166740 /nfs/dbraw/zinc/16/67/40/938166740.db2.gz KYXQHOIEMORENU-ITWBUVANSA-N 2 1 270.420 3.115 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550543231 938167463 /nfs/dbraw/zinc/16/74/63/938167463.db2.gz JTQIPVKGPIPZHA-JHJVBQTASA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550543231 938167464 /nfs/dbraw/zinc/16/74/64/938167464.db2.gz JTQIPVKGPIPZHA-JHJVBQTASA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550543231 938167465 /nfs/dbraw/zinc/16/74/65/938167465.db2.gz JTQIPVKGPIPZHA-JHJVBQTASA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550543231 938167466 /nfs/dbraw/zinc/16/74/66/938167466.db2.gz JTQIPVKGPIPZHA-JHJVBQTASA-N 2 1 296.817 3.424 20 0 CGADMP CCC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001551285164 938179679 /nfs/dbraw/zinc/17/96/79/938179679.db2.gz YCDKCXSJYNHACC-RRFJBIMHSA-N 2 1 252.446 3.085 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3Cc4ccccc43)CC[NH2+]2)cc1 ZINC001552080690 938189966 /nfs/dbraw/zinc/18/99/66/938189966.db2.gz FZEUQKPINBKIJP-YTQUADARSA-N 2 1 278.399 3.367 20 0 CGADMP CC[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552080782 938190070 /nfs/dbraw/zinc/19/00/70/938190070.db2.gz CVDHWPSONKPZEL-MWQQHZPXSA-N 2 1 258.409 3.115 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001552414073 938192113 /nfs/dbraw/zinc/19/21/13/938192113.db2.gz XNCUKVGTKSKRGK-CWLKWCNXSA-N 2 1 272.436 3.239 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001553016386 938195782 /nfs/dbraw/zinc/19/57/82/938195782.db2.gz SUJQITPBNLROGS-NUJGCVRESA-N 2 1 272.436 3.241 20 0 CGADMP Cc1ccc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001560108393 938244155 /nfs/dbraw/zinc/24/41/55/938244155.db2.gz BCJKGYMVFLQBSP-QGZVFWFLSA-N 2 1 295.430 3.143 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCc2ccccc2CC1 ZINC001560262960 938249865 /nfs/dbraw/zinc/24/98/65/938249865.db2.gz MMCLNOPONDWSGM-UHFFFAOYSA-N 2 1 274.452 3.254 20 0 CGADMP c1ccc2c(c1)CC[C@H]2C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001560951116 938286023 /nfs/dbraw/zinc/28/60/23/938286023.db2.gz YIAWGUFZUZBXLH-HKUYNNGSSA-N 2 1 298.474 3.428 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c3CCC4)C[C@H]2C1 ZINC001561045390 938291283 /nfs/dbraw/zinc/29/12/83/938291283.db2.gz INBBIPSSEBHCMV-BHIYHBOVSA-N 2 1 298.474 3.337 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001561053363 938292138 /nfs/dbraw/zinc/29/21/38/938292138.db2.gz UXWVXSAWJUPFJK-WZGPROSRSA-N 2 1 286.463 3.246 20 0 CGADMP CC(C)(C)OC(=O)C1([NH2+]CCCCCCC[NH3+])CCCC1 ZINC001575152360 962357018 /nfs/dbraw/zinc/35/70/18/962357018.db2.gz AVPLPOFMDKOXSM-UHFFFAOYSA-N 2 1 298.471 3.140 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@@H+](CC1CC1)C1CCCCC1 ZINC001575421602 962375996 /nfs/dbraw/zinc/37/59/96/962375996.db2.gz ACIYMXRUDMWYQS-HNNXBMFYSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC001575593113 962394293 /nfs/dbraw/zinc/39/42/93/962394293.db2.gz GMXSCIDEYHXFHT-WOVMCDHWSA-N 2 1 278.415 3.064 20 0 CGADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC001575933006 962418768 /nfs/dbraw/zinc/41/87/68/962418768.db2.gz GGNGWDPKHVGXDH-XNRPHZJLSA-N 2 1 292.398 3.160 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001576058177 962428427 /nfs/dbraw/zinc/42/84/27/962428427.db2.gz VDNRLOFPBPEXKJ-KOLCDFICSA-N 2 1 294.748 3.140 20 0 CGADMP C[C@H](C[NH+]1CCC2(CC[NH2+]2)CC1)C1CCCCC1 ZINC001576007010 962431520 /nfs/dbraw/zinc/43/15/20/962431520.db2.gz YIFIOWYHJGAGLR-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP CC1(C)CCC(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001576409744 962456879 /nfs/dbraw/zinc/45/68/79/962456879.db2.gz MVHRIWCVZDAUNE-HOCLYGCPSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1cnc2ccccc2c1 ZINC001576689631 962486840 /nfs/dbraw/zinc/48/68/40/962486840.db2.gz DDJMHVLRKSSFNZ-KDOFPFPSSA-N 2 1 283.419 3.232 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001576748015 962489421 /nfs/dbraw/zinc/48/94/21/962489421.db2.gz GHSRHAUCSBJXNH-IJEWVQPXSA-N 2 1 252.446 3.323 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)CC12CCCCC2 ZINC001576731218 962493709 /nfs/dbraw/zinc/49/37/09/962493709.db2.gz GTZFCHOQWPSXOQ-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001578485979 962597407 /nfs/dbraw/zinc/59/74/07/962597407.db2.gz GYNKUAXFUUAOCN-DZOHQFGASA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)C[C@H]1CC[NH3+] ZINC001579440487 962629756 /nfs/dbraw/zinc/62/97/56/962629756.db2.gz CVLIGDKHJRMXGN-CHWSQXEVSA-N 2 1 298.883 3.349 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC001579685107 962657703 /nfs/dbraw/zinc/65/77/03/962657703.db2.gz CXYUIEGJANLQPL-QGZVFWFLSA-N 2 1 272.436 3.110 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(CC3CCC3)c2)C1 ZINC001580262908 962709785 /nfs/dbraw/zinc/70/97/85/962709785.db2.gz CKHZKMCUDDMNKM-SFHVURJKSA-N 2 1 272.436 3.200 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)s1 ZINC000621329885 349497084 /nfs/dbraw/zinc/49/70/84/349497084.db2.gz RRKWJXGOOASGFL-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc3cnccc3o2)C[C@@H]1C ZINC000651644492 398261639 /nfs/dbraw/zinc/26/16/39/398261639.db2.gz SXOWPDZDGLQFQI-DZGCQCFKSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cnccc3o2)C[C@@H]1C ZINC000651644492 398261640 /nfs/dbraw/zinc/26/16/40/398261640.db2.gz SXOWPDZDGLQFQI-DZGCQCFKSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3cnccc3o2)C[C@@H]1C ZINC000651644492 398261641 /nfs/dbraw/zinc/26/16/41/398261641.db2.gz SXOWPDZDGLQFQI-DZGCQCFKSA-N 2 1 287.407 3.132 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)s1 ZINC000621717234 349562681 /nfs/dbraw/zinc/56/26/81/349562681.db2.gz ZWOPJWYPJGISAH-CYBMUJFWSA-N 2 1 266.454 3.084 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)s1 ZINC000621717234 349562682 /nfs/dbraw/zinc/56/26/82/349562682.db2.gz ZWOPJWYPJGISAH-CYBMUJFWSA-N 2 1 266.454 3.084 20 0 CGADMP CCCc1ccc(C[N@@H+](C)CCCn2ccnc2)s1 ZINC000621727522 349567566 /nfs/dbraw/zinc/56/75/66/349567566.db2.gz GWNXNVGHSFGVMU-UHFFFAOYSA-N 2 1 277.437 3.419 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337745642 214243996 /nfs/dbraw/zinc/24/39/96/214243996.db2.gz GFQFJLPLKPRGOY-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000337754572 214246111 /nfs/dbraw/zinc/24/61/11/214246111.db2.gz KXKIKXLWHYADOP-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]CCCCn1cc[nH+]c1C ZINC000651720196 398274972 /nfs/dbraw/zinc/27/49/72/398274972.db2.gz STCBPSIPJGSSDV-HNNXBMFYSA-N 2 1 281.444 3.013 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]CCCCn1cc[nH+]c1C ZINC000651720197 398275150 /nfs/dbraw/zinc/27/51/50/398275150.db2.gz STCBPSIPJGSSDV-OAHLLOKOSA-N 2 1 281.444 3.013 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125405178 187183568 /nfs/dbraw/zinc/18/35/68/187183568.db2.gz ANSOGXUAMWMEAC-KTMIJUKYSA-N 2 1 280.362 3.085 20 0 CGADMP CC1CC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000622044323 349622870 /nfs/dbraw/zinc/62/28/70/349622870.db2.gz AUSKRIHSLCNCPD-GMGZGELVSA-N 2 1 258.409 3.115 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000337951359 214329384 /nfs/dbraw/zinc/32/93/84/214329384.db2.gz UIRFCVQHHMXDFE-UHFFFAOYSA-N 2 1 277.799 3.333 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1scnc1C1CC1 ZINC000651866087 398299162 /nfs/dbraw/zinc/29/91/62/398299162.db2.gz UJQUSRJUWBWYFV-UHFFFAOYSA-N 2 1 281.469 3.088 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1scnc1C1CC1 ZINC000651866087 398299164 /nfs/dbraw/zinc/29/91/64/398299164.db2.gz UJQUSRJUWBWYFV-UHFFFAOYSA-N 2 1 281.469 3.088 20 0 CGADMP Cc1ccsc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866658 398299204 /nfs/dbraw/zinc/29/92/04/398299204.db2.gz MRRKSXGALQUFCS-UHFFFAOYSA-N 2 1 254.443 3.124 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC12CCCC2 ZINC000651873843 398299814 /nfs/dbraw/zinc/29/98/14/398299814.db2.gz YOVHFCBJHWZNED-UHFFFAOYSA-N 2 1 282.391 3.094 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651911020 398305187 /nfs/dbraw/zinc/30/51/87/398305187.db2.gz XUFFAHRVGVEEIG-UOVPBQLFSA-N 2 1 270.420 3.067 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000651910538 398305536 /nfs/dbraw/zinc/30/55/36/398305536.db2.gz XTDJOJIFQSCMGO-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)[C@@H](C)C1 ZINC000651911710 398306250 /nfs/dbraw/zinc/30/62/50/398306250.db2.gz UDNLHSGTNIPCLT-BYNSBNAKSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000423288836 529589789 /nfs/dbraw/zinc/58/97/89/529589789.db2.gz VHZBPRZIIRHMDK-LBPRGKRZSA-N 2 1 285.229 3.227 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(F)ccc1F ZINC000423529909 529598311 /nfs/dbraw/zinc/59/83/11/529598311.db2.gz QMSBRMWSFIDVPC-HNNXBMFYSA-N 2 1 268.351 3.148 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000268794188 282209570 /nfs/dbraw/zinc/20/95/70/282209570.db2.gz HJGWYFQOMGACEE-DYVFJYSZSA-N 2 1 269.392 3.420 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000623335999 349780817 /nfs/dbraw/zinc/78/08/17/349780817.db2.gz PVKJQENVANGNOV-WCQYABFASA-N 2 1 282.378 3.488 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000623335999 349780819 /nfs/dbraw/zinc/78/08/19/349780819.db2.gz PVKJQENVANGNOV-WCQYABFASA-N 2 1 282.378 3.488 20 0 CGADMP C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337592 349781782 /nfs/dbraw/zinc/78/17/82/349781782.db2.gz PYBDXQAOWJRMCG-AAEUAGOBSA-N 2 1 282.378 3.488 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc(Br)c1 ZINC000423280375 529619293 /nfs/dbraw/zinc/61/92/93/529619293.db2.gz UATVBXWAFWPKJR-KBPBESRZSA-N 2 1 299.256 3.473 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623351379 349786223 /nfs/dbraw/zinc/78/62/23/349786223.db2.gz NNSYEJNKCZICDJ-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCOC1 ZINC000358440338 529665730 /nfs/dbraw/zinc/66/57/30/529665730.db2.gz ACMGFIMCFZRIKB-CBZIJGRNSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371642 349792502 /nfs/dbraw/zinc/79/25/02/349792502.db2.gz LYYSXIOSWOPBGQ-JSGCOSHPSA-N 2 1 266.454 3.142 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000351178297 219083999 /nfs/dbraw/zinc/08/39/99/219083999.db2.gz ALUPUJMCLFLXEM-UHFFFAOYSA-N 2 1 290.451 3.336 20 0 CGADMP CC[NH+](CC)CCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000351178297 219084002 /nfs/dbraw/zinc/08/40/02/219084002.db2.gz ALUPUJMCLFLXEM-UHFFFAOYSA-N 2 1 290.451 3.336 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1(C)C ZINC000623432381 349807836 /nfs/dbraw/zinc/80/78/36/349807836.db2.gz PCVLLHFPADQJSD-FPCVCCKLSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000623477677 349816358 /nfs/dbraw/zinc/81/63/58/349816358.db2.gz ONHIJUFVGXUVMU-SOUVJXGZSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295038252 199313279 /nfs/dbraw/zinc/31/32/79/199313279.db2.gz OLHMFIBENOAFSW-MQVJKMGUSA-N 2 1 278.827 3.363 20 0 CGADMP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623486349 349818545 /nfs/dbraw/zinc/81/85/45/349818545.db2.gz XMDNDBDVBSKONM-HRCADAONSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623503023 349821712 /nfs/dbraw/zinc/82/17/12/349821712.db2.gz JEOSASXFCCODAD-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]1Cc1ccccc1 ZINC000351473468 219099241 /nfs/dbraw/zinc/09/92/41/219099241.db2.gz UYVUUVGITKTTTI-QZTJIDSGSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000351473468 219099244 /nfs/dbraw/zinc/09/92/44/219099244.db2.gz UYVUUVGITKTTTI-QZTJIDSGSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000351473468 219099246 /nfs/dbraw/zinc/09/92/46/219099246.db2.gz UYVUUVGITKTTTI-QZTJIDSGSA-N 2 1 272.436 3.178 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000126899101 187269044 /nfs/dbraw/zinc/26/90/44/187269044.db2.gz LMVDNHJAVKWPFJ-NEPJUHHUSA-N 2 1 266.454 3.215 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C[C@@H]1c1ccccc1 ZINC000334978652 529806361 /nfs/dbraw/zinc/80/63/61/529806361.db2.gz HGARMCFUZYLAOU-DLBZAZTESA-N 2 1 258.409 3.354 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCCC2)C[C@@H]1c1ccccc1 ZINC000334978652 529806362 /nfs/dbraw/zinc/80/63/62/529806362.db2.gz HGARMCFUZYLAOU-DLBZAZTESA-N 2 1 258.409 3.354 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)[C@@H]2CCC[C@H]21 ZINC000367629381 529806475 /nfs/dbraw/zinc/80/64/75/529806475.db2.gz YDGQXYVEDYFUKL-YTQUADARSA-N 2 1 295.430 3.197 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H]2CCC[C@@H]21 ZINC000423422874 529806853 /nfs/dbraw/zinc/80/68/53/529806853.db2.gz ZJNBJUWESFBKCU-WDSOQIARSA-N 2 1 299.462 3.007 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCSC3CCCCC3)C2)C1 ZINC000366535309 529811374 /nfs/dbraw/zinc/81/13/74/529811374.db2.gz WOSXPCFCWBBHFC-INIZCTEOSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CCSC3CCCCC3)C2)C1 ZINC000366535309 529811375 /nfs/dbraw/zinc/81/13/75/529811375.db2.gz WOSXPCFCWBBHFC-INIZCTEOSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCSC3CCCCC3)C2)C1 ZINC000366535309 529811376 /nfs/dbraw/zinc/81/13/76/529811376.db2.gz WOSXPCFCWBBHFC-INIZCTEOSA-N 2 1 282.497 3.080 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(Cl)c1 ZINC000623656532 349858453 /nfs/dbraw/zinc/85/84/53/349858453.db2.gz WHZDBTDMSIWAFF-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(Cl)c1 ZINC000623656532 349858456 /nfs/dbraw/zinc/85/84/56/349858456.db2.gz WHZDBTDMSIWAFF-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CSc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623657398 349859877 /nfs/dbraw/zinc/85/98/77/349859877.db2.gz PVSCCCBUPKNSTB-GFCCVEGCSA-N 2 1 284.494 3.292 20 0 CGADMP CCCOc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623655942 349856261 /nfs/dbraw/zinc/85/62/61/349856261.db2.gz JGSAMPTVEPXVOY-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656516 349858358 /nfs/dbraw/zinc/85/83/58/349858358.db2.gz VYEJOFFBGONFHB-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@@H+](CCCCF)[C@H]1CCC[NH+](CCCCF)CC1 ZINC000367225113 529882518 /nfs/dbraw/zinc/88/25/18/529882518.db2.gz RHIACEZDKKPJHK-HNNXBMFYSA-N 2 1 276.415 3.272 20 0 CGADMP C[NH+](CCCCF)[C@H]1CCC[N@H+](CCCCF)CC1 ZINC000367225113 529882519 /nfs/dbraw/zinc/88/25/19/529882519.db2.gz RHIACEZDKKPJHK-HNNXBMFYSA-N 2 1 276.415 3.272 20 0 CGADMP C[NH+](CCCCF)[C@H]1CCC[N@@H+](CCCCF)CC1 ZINC000367225113 529882520 /nfs/dbraw/zinc/88/25/20/529882520.db2.gz RHIACEZDKKPJHK-HNNXBMFYSA-N 2 1 276.415 3.272 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC23CC3)CC1(C)C ZINC000623825627 349891291 /nfs/dbraw/zinc/89/12/91/349891291.db2.gz HGTYPHUZIDMFTK-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423237476 529979305 /nfs/dbraw/zinc/97/93/05/529979305.db2.gz DJKOOKSELDBTNM-OCCSQVGLSA-N 2 1 286.341 3.151 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040622715 344964102 /nfs/dbraw/zinc/96/41/02/344964102.db2.gz PIIXPUWYXGMNBM-ZLPCBKJTSA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040640735 344964799 /nfs/dbraw/zinc/96/47/99/344964799.db2.gz NTKVXNRGTVBVNG-KRWDZBQOSA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044532929 345012952 /nfs/dbraw/zinc/01/29/52/345012952.db2.gz CVUKYJLGDTXRPQ-WBVHZDCISA-N 2 1 260.425 3.315 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636230 345716545 /nfs/dbraw/zinc/71/65/45/345716545.db2.gz NBIQBHIDBJUYJU-KRWDZBQOSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081636230 345716548 /nfs/dbraw/zinc/71/65/48/345716548.db2.gz NBIQBHIDBJUYJU-KRWDZBQOSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081636230 345716551 /nfs/dbraw/zinc/71/65/51/345716551.db2.gz NBIQBHIDBJUYJU-KRWDZBQOSA-N 2 1 272.436 3.159 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C=CCCC3)CC2)cc1 ZINC000090393452 345786431 /nfs/dbraw/zinc/78/64/31/345786431.db2.gz JTWZFKMYDGXLDX-GOSISDBHSA-N 2 1 284.447 3.392 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090726397 345793338 /nfs/dbraw/zinc/79/33/38/345793338.db2.gz ZXTQFSIVNYISHW-BFYDXBDKSA-N 2 1 292.492 3.381 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090726397 345793341 /nfs/dbraw/zinc/79/33/41/345793341.db2.gz ZXTQFSIVNYISHW-BFYDXBDKSA-N 2 1 292.492 3.381 20 0 CGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000171648354 232268571 /nfs/dbraw/zinc/26/85/71/232268571.db2.gz NKKZMLXQEBGQPU-QGZVFWFLSA-N 2 1 281.403 3.324 20 0 CGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000171648354 232268572 /nfs/dbraw/zinc/26/85/72/232268572.db2.gz NKKZMLXQEBGQPU-QGZVFWFLSA-N 2 1 281.403 3.324 20 0 CGADMP CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000166762078 346187669 /nfs/dbraw/zinc/18/76/69/346187669.db2.gz JVWHAZWWDOZZBB-HNNXBMFYSA-N 2 1 280.843 3.408 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]3CCC[C@H]31)C[NH2+]CC2 ZINC000228244968 346314198 /nfs/dbraw/zinc/31/41/98/346314198.db2.gz AHARDSMJLLSFCR-FUHWJXTLSA-N 2 1 270.420 3.097 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000252121579 346389929 /nfs/dbraw/zinc/38/99/29/346389929.db2.gz KWRFKHOEORWVSM-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000252700390 346392107 /nfs/dbraw/zinc/39/21/07/346392107.db2.gz ZTVBCRVADKMKDF-OWCLPIDISA-N 2 1 260.425 3.342 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000584697049 346708073 /nfs/dbraw/zinc/70/80/73/346708073.db2.gz ARVICXXECWPZRX-ZJIFWQFVSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cccc(CCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000584852206 346719035 /nfs/dbraw/zinc/71/90/35/346719035.db2.gz RYKHBQRMVQSEEO-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000584852206 346719037 /nfs/dbraw/zinc/71/90/37/346719037.db2.gz RYKHBQRMVQSEEO-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)([NH+](C)C)C1 ZINC000584879455 346719737 /nfs/dbraw/zinc/71/97/37/346719737.db2.gz OROGEVSEWWWQMI-NRKLIOEPSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1ccnc([C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000583508434 346679966 /nfs/dbraw/zinc/67/99/66/346679966.db2.gz KOAMXYLYMPOPNT-DLBZAZTESA-N 2 1 287.451 3.054 20 0 CGADMP Cc1ccnc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000583508434 346679972 /nfs/dbraw/zinc/67/99/72/346679972.db2.gz KOAMXYLYMPOPNT-DLBZAZTESA-N 2 1 287.451 3.054 20 0 CGADMP Cc1ccnc([C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000583508434 346679976 /nfs/dbraw/zinc/67/99/76/346679976.db2.gz KOAMXYLYMPOPNT-DLBZAZTESA-N 2 1 287.451 3.054 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624119759 349977228 /nfs/dbraw/zinc/97/72/28/349977228.db2.gz JAAAWWYJNSETDK-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121427 349978868 /nfs/dbraw/zinc/97/88/68/349978868.db2.gz WFZRTXMMEXLGCI-JKSUJKDBSA-N 2 1 252.446 3.443 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000624121656 349979946 /nfs/dbraw/zinc/97/99/46/349979946.db2.gz AJNCRGGPKIFHHM-IEBWSBKVSA-N 2 1 286.463 3.329 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122157 349979954 /nfs/dbraw/zinc/97/99/54/349979954.db2.gz KZERSNZLOBFSHA-CHWSQXEVSA-N 2 1 282.453 3.139 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122157 349979956 /nfs/dbraw/zinc/97/99/56/349979956.db2.gz KZERSNZLOBFSHA-CHWSQXEVSA-N 2 1 282.453 3.139 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000624122518 349981613 /nfs/dbraw/zinc/98/16/13/349981613.db2.gz TZILDMKHMIAJKC-WBMJQRKESA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000624122518 349981618 /nfs/dbraw/zinc/98/16/18/349981618.db2.gz TZILDMKHMIAJKC-WBMJQRKESA-N 2 1 294.389 3.274 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123342 349982356 /nfs/dbraw/zinc/98/23/56/349982356.db2.gz KCZDLTLIKVRFSU-RYRKJORJSA-N 2 1 290.451 3.084 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123595 349983178 /nfs/dbraw/zinc/98/31/78/349983178.db2.gz OTLKRZCRALSNGX-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1F ZINC000339408393 215152578 /nfs/dbraw/zinc/15/25/78/215152578.db2.gz HEFBFKRGPKBYGX-HNNXBMFYSA-N 2 1 282.403 3.030 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000624123958 349982701 /nfs/dbraw/zinc/98/27/01/349982701.db2.gz USSALYUKKLVZDD-RDTXWAMCSA-N 2 1 288.435 3.091 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3ccccc3Cl)C2)C1 ZINC000339426835 215162093 /nfs/dbraw/zinc/16/20/93/215162093.db2.gz RLCOLJSVCHGMRS-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3ccccc3Cl)C2)C1 ZINC000339426835 215162096 /nfs/dbraw/zinc/16/20/96/215162096.db2.gz RLCOLJSVCHGMRS-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3ccccc3Cl)C2)C1 ZINC000339426835 215162099 /nfs/dbraw/zinc/16/20/99/215162099.db2.gz RLCOLJSVCHGMRS-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3ccccc3Cl)C2)C1 ZINC000339426835 215162102 /nfs/dbraw/zinc/16/21/02/215162102.db2.gz RLCOLJSVCHGMRS-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339437094 215171055 /nfs/dbraw/zinc/17/10/55/215171055.db2.gz DIZGEVDSLQHLCI-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000339437094 215171057 /nfs/dbraw/zinc/17/10/57/215171057.db2.gz DIZGEVDSLQHLCI-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000339437094 215171061 /nfs/dbraw/zinc/17/10/61/215171061.db2.gz DIZGEVDSLQHLCI-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCC3CCOCC3)C2)C1 ZINC000339441166 215173078 /nfs/dbraw/zinc/17/30/78/215173078.db2.gz VUODFWNMRYXANA-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCC3CCOCC3)C2)C1 ZINC000339441166 215173081 /nfs/dbraw/zinc/17/30/81/215173081.db2.gz VUODFWNMRYXANA-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCC3CCOCC3)C2)C1 ZINC000339441166 215173083 /nfs/dbraw/zinc/17/30/83/215173083.db2.gz VUODFWNMRYXANA-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000358323695 233107097 /nfs/dbraw/zinc/10/70/97/233107097.db2.gz ASMUUCQCHMFIRZ-CRAIPNDOSA-N 2 1 295.430 3.178 20 0 CGADMP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358477985 233140089 /nfs/dbraw/zinc/14/00/89/233140089.db2.gz AHYGIKVQTUAWGA-JSGCOSHPSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358477985 233140094 /nfs/dbraw/zinc/14/00/94/233140094.db2.gz AHYGIKVQTUAWGA-JSGCOSHPSA-N 2 1 293.480 3.194 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCC2(C)C)s1 ZINC000339574347 215249241 /nfs/dbraw/zinc/24/92/41/215249241.db2.gz IKQMGXNLLFWXMH-GFCCVEGCSA-N 2 1 281.469 3.121 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000624213873 350003736 /nfs/dbraw/zinc/00/37/36/350003736.db2.gz IEWQVJUZSNGLMB-OAHLLOKOSA-N 2 1 298.434 3.074 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000624214270 350003772 /nfs/dbraw/zinc/00/37/72/350003772.db2.gz XPHHKNAMXVYJRD-HNNXBMFYSA-N 2 1 298.434 3.074 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC000359190108 233276913 /nfs/dbraw/zinc/27/69/13/233276913.db2.gz MIKYOKJTESCTMF-LBPRGKRZSA-N 2 1 281.469 3.142 20 0 CGADMP Fc1ccc(C[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359210333 233279715 /nfs/dbraw/zinc/27/97/15/233279715.db2.gz BRUDAJAARAKOMC-KRWDZBQOSA-N 2 1 290.426 3.080 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359217352 233279944 /nfs/dbraw/zinc/27/99/44/233279944.db2.gz KNJGMZILSDIYCN-KRWDZBQOSA-N 2 1 276.399 3.352 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654358 350192520 /nfs/dbraw/zinc/19/25/20/350192520.db2.gz NMYRDGMCBKIFRL-BETUJISGSA-N 2 1 285.382 3.195 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654358 350192526 /nfs/dbraw/zinc/19/25/26/350192526.db2.gz NMYRDGMCBKIFRL-BETUJISGSA-N 2 1 285.382 3.195 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CC[N@H+]1C ZINC000359717614 233364940 /nfs/dbraw/zinc/36/49/40/233364940.db2.gz JGBZLACJUMVZIE-WMLDXEAASA-N 2 1 288.435 3.048 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C)ccn1 ZINC000626062656 350254687 /nfs/dbraw/zinc/25/46/87/350254687.db2.gz AJYWPTCBSDGCEQ-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP Cc1ccc([C@@H](C)C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000628163793 350418128 /nfs/dbraw/zinc/41/81/28/350418128.db2.gz RYSPPIOUFHUZCN-INIZCTEOSA-N 2 1 274.452 3.372 20 0 CGADMP CCc1ccc(C)[nH+]c1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628337597 350504556 /nfs/dbraw/zinc/50/45/56/350504556.db2.gz LNVZCCWVFSRWMM-CQSZACIVSA-N 2 1 261.413 3.237 20 0 CGADMP CC[C@@H](c1ccncc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000271379434 191107660 /nfs/dbraw/zinc/10/76/60/191107660.db2.gz JVHZIKLKGMUBPD-INIZCTEOSA-N 2 1 272.396 3.060 20 0 CGADMP CC[C@@H](c1ccncc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000271379434 191107663 /nfs/dbraw/zinc/10/76/63/191107663.db2.gz JVHZIKLKGMUBPD-INIZCTEOSA-N 2 1 272.396 3.060 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000629528949 350703348 /nfs/dbraw/zinc/70/33/48/350703348.db2.gz NVNJSWKAIJRFNJ-HNNXBMFYSA-N 2 1 289.467 3.328 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000629528857 350703409 /nfs/dbraw/zinc/70/34/09/350703409.db2.gz LBSKEPSRLPXGFG-OAHLLOKOSA-N 2 1 275.440 3.074 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629531292 350703884 /nfs/dbraw/zinc/70/38/84/350703884.db2.gz GRIARTPFBGFXOA-NEPJUHHUSA-N 2 1 262.388 3.178 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550250 350710899 /nfs/dbraw/zinc/71/08/99/350710899.db2.gz KQYIITHIHPLJCQ-MSOLQXFVSA-N 2 1 295.430 3.498 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629550060 350711267 /nfs/dbraw/zinc/71/12/67/350711267.db2.gz XIPBXPLQSTWCBO-QLFBSQMISA-N 2 1 264.800 3.187 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000629566082 350713556 /nfs/dbraw/zinc/71/35/56/350713556.db2.gz YDAZZFZIXVCNTD-DGCLKSJQSA-N 2 1 292.389 3.272 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629568812 350713608 /nfs/dbraw/zinc/71/36/08/350713608.db2.gz UXCNVDITAZPYFT-KWCYVHTRSA-N 2 1 286.341 3.207 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1C(F)(F)F ZINC000629561342 350713698 /nfs/dbraw/zinc/71/36/98/350713698.db2.gz IMYCPXNHTBIVGX-ZIAGYGMSSA-N 2 1 292.389 3.416 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561510 350713945 /nfs/dbraw/zinc/71/39/45/350713945.db2.gz IGEDKNXLEPNFAK-NWDGAFQWSA-N 2 1 280.378 3.272 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629560143 350714005 /nfs/dbraw/zinc/71/40/05/350714005.db2.gz DFLXKBRWLIWWTM-QWHCGFSZSA-N 2 1 278.362 3.026 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccc(CC[NH3+])cc2)c1)C1CC1 ZINC000629708124 350747978 /nfs/dbraw/zinc/74/79/78/350747978.db2.gz BLROBAOSACRESS-UHFFFAOYSA-N 2 1 280.415 3.449 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000629653178 350731312 /nfs/dbraw/zinc/73/13/12/350731312.db2.gz HQNKLDXUZGUTJX-LSDHHAIUSA-N 2 1 284.806 3.142 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccs2)cc1 ZINC000629691020 350737677 /nfs/dbraw/zinc/73/76/77/350737677.db2.gz SIOXWSWKBBOCHN-HNNXBMFYSA-N 2 1 272.417 3.338 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccs2)cc1 ZINC000629691020 350737681 /nfs/dbraw/zinc/73/76/81/350737681.db2.gz SIOXWSWKBBOCHN-HNNXBMFYSA-N 2 1 272.417 3.338 20 0 CGADMP Cc1scc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1C ZINC000631043829 350934772 /nfs/dbraw/zinc/93/47/72/350934772.db2.gz BVBDYMUJKWKJEW-UHFFFAOYSA-N 2 1 278.465 3.329 20 0 CGADMP CC(C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196166 350987371 /nfs/dbraw/zinc/98/73/71/350987371.db2.gz NYIQOOKZDFELQC-WBVHZDCISA-N 2 1 260.425 3.000 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631581135 351076231 /nfs/dbraw/zinc/07/62/31/351076231.db2.gz FRFVJGDDHYITSF-MRXNPFEDSA-N 2 1 284.407 3.034 20 0 CGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCCn1cc[nH+]c1C ZINC000631582139 351076786 /nfs/dbraw/zinc/07/67/86/351076786.db2.gz LASPAWVPKDRQAL-GOSISDBHSA-N 2 1 299.418 3.257 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839499 351150807 /nfs/dbraw/zinc/15/08/07/351150807.db2.gz HDBRKOKEPPYFHO-IJLUTSLNSA-N 2 1 297.240 3.037 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839499 351150810 /nfs/dbraw/zinc/15/08/10/351150810.db2.gz HDBRKOKEPPYFHO-IJLUTSLNSA-N 2 1 297.240 3.037 20 0 CGADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000631738412 351132449 /nfs/dbraw/zinc/13/24/49/351132449.db2.gz LORMZBHYEDBIQI-SLBVQIDZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccon2)C[N@H+]1Cc1ccccc1 ZINC000634972722 351613019 /nfs/dbraw/zinc/61/30/19/351613019.db2.gz FNUDROLORQESMS-RDJZCZTQSA-N 2 1 299.418 3.065 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cn1 ZINC000635012675 351630540 /nfs/dbraw/zinc/63/05/40/351630540.db2.gz VGHKMWDIFIXUNJ-KGLIPLIRSA-N 2 1 279.403 3.040 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012816 351630859 /nfs/dbraw/zinc/63/08/59/351630859.db2.gz VRBKPZZFEWIPCQ-HIFRSBDPSA-N 2 1 275.440 3.073 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000122941222 187060794 /nfs/dbraw/zinc/06/07/94/187060794.db2.gz IFOAXUCXAQFKGN-FVQBIDKESA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000122941222 187060795 /nfs/dbraw/zinc/06/07/95/187060795.db2.gz IFOAXUCXAQFKGN-FVQBIDKESA-N 2 1 260.425 3.437 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000123387283 187088977 /nfs/dbraw/zinc/08/89/77/187088977.db2.gz BXDYZIAYNPKALA-OCCSQVGLSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000123387283 187088978 /nfs/dbraw/zinc/08/89/78/187088978.db2.gz BXDYZIAYNPKALA-OCCSQVGLSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH+]1C ZINC000123387283 187088979 /nfs/dbraw/zinc/08/89/79/187088979.db2.gz BXDYZIAYNPKALA-OCCSQVGLSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH+]1C ZINC000123387283 187088980 /nfs/dbraw/zinc/08/89/80/187088980.db2.gz BXDYZIAYNPKALA-OCCSQVGLSA-N 2 1 298.377 3.203 20 0 CGADMP CCc1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000123399376 187089442 /nfs/dbraw/zinc/08/94/42/187089442.db2.gz PHFPUTXMRVXYAK-UHFFFAOYSA-N 2 1 295.496 3.259 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000271534881 191197915 /nfs/dbraw/zinc/19/79/15/191197915.db2.gz KXCOGXZJHUMTSL-WMLDXEAASA-N 2 1 290.426 3.221 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000300135597 290339339 /nfs/dbraw/zinc/33/93/39/290339339.db2.gz JJOHOYUSLNQUPQ-IXIBIKRGSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000300135597 290339344 /nfs/dbraw/zinc/33/93/44/290339344.db2.gz JJOHOYUSLNQUPQ-IXIBIKRGSA-N 2 1 264.457 3.416 20 0 CGADMP CSCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000367696716 234242216 /nfs/dbraw/zinc/24/22/16/234242216.db2.gz IZMOLUFGQIGRLW-ALOPSCKCSA-N 2 1 290.476 3.264 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000367701107 234243456 /nfs/dbraw/zinc/24/34/56/234243456.db2.gz KNLXROZCXBHGCB-OAHLLOKOSA-N 2 1 283.419 3.187 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368100269 234281954 /nfs/dbraw/zinc/28/19/54/234281954.db2.gz HDJZWDWFBHSQER-TZMCWYRMSA-N 2 1 287.382 3.017 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000152406154 188016570 /nfs/dbraw/zinc/01/65/70/188016570.db2.gz HHRHAIXWENLMNK-SJCJKPOMSA-N 2 1 294.389 3.490 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000152406154 188016572 /nfs/dbraw/zinc/01/65/72/188016572.db2.gz HHRHAIXWENLMNK-SJCJKPOMSA-N 2 1 294.389 3.490 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](CCOC)CC2)s1 ZINC000154887362 188167789 /nfs/dbraw/zinc/16/77/89/188167789.db2.gz RSDDLPOKNOKSAX-ZDUSSCGKSA-N 2 1 296.480 3.072 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000155385343 188202826 /nfs/dbraw/zinc/20/28/26/188202826.db2.gz OLNDGSXYHCJLRU-BBRMVZONSA-N 2 1 292.854 3.444 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000156319450 188255217 /nfs/dbraw/zinc/25/52/17/188255217.db2.gz DZAUXWPRDCIICH-HOCLYGCPSA-N 2 1 285.435 3.173 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156334685 188255486 /nfs/dbraw/zinc/25/54/86/188255486.db2.gz QPABORIDYYKDAX-ZRGWGRIASA-N 2 1 299.462 3.419 20 0 CGADMP COCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157018036 188293381 /nfs/dbraw/zinc/29/33/81/188293381.db2.gz ZSNDRLQEHWSOEF-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157018036 188293382 /nfs/dbraw/zinc/29/33/82/188293382.db2.gz ZSNDRLQEHWSOEF-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157018036 188293383 /nfs/dbraw/zinc/29/33/83/188293383.db2.gz ZSNDRLQEHWSOEF-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157018036 188293385 /nfs/dbraw/zinc/29/33/85/188293385.db2.gz ZSNDRLQEHWSOEF-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000157652944 188330617 /nfs/dbraw/zinc/33/06/17/188330617.db2.gz FXILNUIVLLIVAT-HZTRTUMWSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000157652944 188330618 /nfs/dbraw/zinc/33/06/18/188330618.db2.gz FXILNUIVLLIVAT-HZTRTUMWSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnc2ccsc2c1 ZINC000271841012 191360620 /nfs/dbraw/zinc/36/06/20/191360620.db2.gz GSSHIWHIABEFEO-LBPRGKRZSA-N 2 1 287.432 3.209 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000271831530 191354279 /nfs/dbraw/zinc/35/42/79/191354279.db2.gz DYDDRKGTLLWJQS-GFCCVEGCSA-N 2 1 264.800 3.253 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000353601982 283132656 /nfs/dbraw/zinc/13/26/56/283132656.db2.gz CASRIWWJHDYUEK-PMPSAXMXSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414935225 235496635 /nfs/dbraw/zinc/49/66/35/235496635.db2.gz AZWMAGYWCLCKLL-WBMJQRKESA-N 2 1 288.366 3.173 20 0 CGADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000415044316 235517484 /nfs/dbraw/zinc/51/74/84/235517484.db2.gz BQOUMCZRUVEXQI-MLGOLLRUSA-N 2 1 264.388 3.036 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091284530 138343624 /nfs/dbraw/zinc/34/36/24/138343624.db2.gz YHJPERCRXFOVJS-HIFRSBDPSA-N 2 1 292.854 3.345 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000106868433 138355860 /nfs/dbraw/zinc/35/58/60/138355860.db2.gz XOFNCYLHVWMAPA-WDEREUQCSA-N 2 1 270.829 3.118 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000106868433 138355862 /nfs/dbraw/zinc/35/58/62/138355862.db2.gz XOFNCYLHVWMAPA-WDEREUQCSA-N 2 1 270.829 3.118 20 0 CGADMP c1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000107579591 138358396 /nfs/dbraw/zinc/35/83/96/138358396.db2.gz GIYCZLSIWFROCV-KDURUIRLSA-N 2 1 278.399 3.005 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc2cccnc21 ZINC000128490222 138393733 /nfs/dbraw/zinc/39/37/33/138393733.db2.gz LMVHBKSGUWSLAD-INIZCTEOSA-N 2 1 271.408 3.040 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129450373 138397330 /nfs/dbraw/zinc/39/73/30/138397330.db2.gz VPKLAUHUUZRXGS-JTQLQIEISA-N 2 1 292.320 3.274 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c2ccccc2O1 ZINC000296402128 297287710 /nfs/dbraw/zinc/28/77/10/297287710.db2.gz KODJVAPWTAZAFC-VFPIZLKKSA-N 2 1 288.435 3.217 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2ccccc2O1 ZINC000296402128 297287712 /nfs/dbraw/zinc/28/77/12/297287712.db2.gz KODJVAPWTAZAFC-VFPIZLKKSA-N 2 1 288.435 3.217 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@H]1CCCCO1 ZINC000423041550 235961525 /nfs/dbraw/zinc/96/15/25/235961525.db2.gz JKYGNGRYJQVKAG-XOYOTBSWSA-N 2 1 288.435 3.027 20 0 CGADMP c1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCCC2)cc1 ZINC000423246681 236008009 /nfs/dbraw/zinc/00/80/09/236008009.db2.gz ZSAJIXNEMONUPZ-DLBZAZTESA-N 2 1 258.409 3.260 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423286376 236024590 /nfs/dbraw/zinc/02/45/90/236024590.db2.gz GWCDEJQBDNZKBF-ZDUSSCGKSA-N 2 1 264.413 3.253 20 0 CGADMP Cc1cc([C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CC2)ccc1F ZINC000423266150 236014530 /nfs/dbraw/zinc/01/45/30/236014530.db2.gz DFIRTUUQIFWZFY-HOTGVXAUSA-N 2 1 264.388 3.158 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423332680 236042006 /nfs/dbraw/zinc/04/20/06/236042006.db2.gz QZQJXOQIZBARGI-ZLDLUXBVSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1csc(Cl)c1 ZINC000423345519 236045636 /nfs/dbraw/zinc/04/56/36/236045636.db2.gz PBNDBDNJXJIBSK-GXFFZTMASA-N 2 1 272.845 3.442 20 0 CGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423361132 236050559 /nfs/dbraw/zinc/05/05/59/236050559.db2.gz LYRYGVZJVCNIHP-CHWSQXEVSA-N 2 1 298.377 3.389 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000423371646 236053277 /nfs/dbraw/zinc/05/32/77/236053277.db2.gz HRGCQQJVJXNWBS-HSMVNMDESA-N 2 1 282.378 3.016 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000423401104 236064730 /nfs/dbraw/zinc/06/47/30/236064730.db2.gz VUFVUQRBGGOMIX-SOLBZPMBSA-N 2 1 299.393 3.170 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423531068 236093430 /nfs/dbraw/zinc/09/34/30/236093430.db2.gz QCLPXKMUPQCGJG-IAGOWNOFSA-N 2 1 258.409 3.089 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCCO2 ZINC000423527426 236093502 /nfs/dbraw/zinc/09/35/02/236093502.db2.gz MLNCMTIXSABAKK-OAHLLOKOSA-N 2 1 294.826 3.285 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366512 236157366 /nfs/dbraw/zinc/15/73/66/236157366.db2.gz JETUMISSWDLZRD-HUUCEWRRSA-N 2 1 258.365 3.101 20 0 CGADMP Cc1ccccc1CCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424293741 236143550 /nfs/dbraw/zinc/14/35/50/236143550.db2.gz PVWJQAKAAKRSMT-QGZVFWFLSA-N 2 1 286.463 3.392 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1F ZINC000425938693 236274704 /nfs/dbraw/zinc/27/47/04/236274704.db2.gz RBLPCWPGHUBYSJ-VXGBXAGGSA-N 2 1 284.444 3.396 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000252177399 291148188 /nfs/dbraw/zinc/14/81/88/291148188.db2.gz SGMPCEDTIXWXND-ZVDSWSACSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCc1cccc(Cl)c1 ZINC000297542110 200222908 /nfs/dbraw/zinc/22/29/08/200222908.db2.gz YSLYVVKIWRTWQC-BBRMVZONSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCc1cccc(Cl)c1 ZINC000297542110 200222910 /nfs/dbraw/zinc/22/29/10/200222910.db2.gz YSLYVVKIWRTWQC-BBRMVZONSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCc1cccc(Cl)c1 ZINC000297542110 200222911 /nfs/dbraw/zinc/22/29/11/200222911.db2.gz YSLYVVKIWRTWQC-BBRMVZONSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCc1cccc(Cl)c1 ZINC000297542110 200222913 /nfs/dbraw/zinc/22/29/13/200222913.db2.gz YSLYVVKIWRTWQC-BBRMVZONSA-N 2 1 280.843 3.155 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000297598605 200237851 /nfs/dbraw/zinc/23/78/51/200237851.db2.gz HXWFPVHTBVDPJQ-PBHICJAKSA-N 2 1 298.434 3.130 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000297598605 200237853 /nfs/dbraw/zinc/23/78/53/200237853.db2.gz HXWFPVHTBVDPJQ-PBHICJAKSA-N 2 1 298.434 3.130 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297803941 200283747 /nfs/dbraw/zinc/28/37/47/200283747.db2.gz XRPQIHZFGMPDAT-INIZCTEOSA-N 2 1 286.463 3.451 20 0 CGADMP Fc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000298157084 200347784 /nfs/dbraw/zinc/34/77/84/200347784.db2.gz SDKNWBVOLAJBTR-CZIWCDLHSA-N 2 1 288.410 3.288 20 0 CGADMP CC[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000177819212 189071685 /nfs/dbraw/zinc/07/16/85/189071685.db2.gz PNGATHWWDAZYIU-NBOOPKSLSA-N 2 1 274.452 3.499 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCS2 ZINC000178411594 189114313 /nfs/dbraw/zinc/11/43/13/189114313.db2.gz FQBHCBJBYGTTSJ-HNNXBMFYSA-N 2 1 294.439 3.438 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178700711 189138336 /nfs/dbraw/zinc/13/83/36/189138336.db2.gz BNZOTAMPIGOEAV-UONOGXRCSA-N 2 1 299.418 3.113 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178705406 189138783 /nfs/dbraw/zinc/13/87/83/189138783.db2.gz OEMZXMFETWTIPG-UONOGXRCSA-N 2 1 287.407 3.187 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178705381 189139023 /nfs/dbraw/zinc/13/90/23/189139023.db2.gz OEMZXMFETWTIPG-KBPBESRZSA-N 2 1 287.407 3.187 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342095692 216217282 /nfs/dbraw/zinc/21/72/82/216217282.db2.gz YQWOIHYOSQOSNW-USXIJHARSA-N 2 1 288.435 3.033 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342147721 216238864 /nfs/dbraw/zinc/23/88/64/216238864.db2.gz UXDSNXLHIIRIRK-ZOBORPQBSA-N 2 1 291.439 3.092 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342147721 216238866 /nfs/dbraw/zinc/23/88/66/216238866.db2.gz UXDSNXLHIIRIRK-ZOBORPQBSA-N 2 1 291.439 3.092 20 0 CGADMP Cc1cc(NCCC[NH+](C(C)C)C(C)C)nc(C)[nH+]1 ZINC000301433100 201006027 /nfs/dbraw/zinc/00/60/27/201006027.db2.gz KUPWGQOLVQLRBB-UHFFFAOYSA-N 2 1 264.417 3.014 20 0 CGADMP CC[N@H+](C)Cc1cccc(CNc2nc(C)[nH+]c(C)c2C)c1 ZINC000301456173 201014325 /nfs/dbraw/zinc/01/43/25/201014325.db2.gz WXGPUHNEVHORBP-UHFFFAOYSA-N 2 1 298.434 3.466 20 0 CGADMP CC[N@@H+](C)Cc1cccc(CNc2nc(C)[nH+]c(C)c2C)c1 ZINC000301456173 201014328 /nfs/dbraw/zinc/01/43/28/201014328.db2.gz WXGPUHNEVHORBP-UHFFFAOYSA-N 2 1 298.434 3.466 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCOCc2ccccc2)CC[N@@H+]1C ZINC000182438919 189323668 /nfs/dbraw/zinc/32/36/68/189323668.db2.gz QSERMIABNCWEKC-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCOCc2ccccc2)CC[N@H+]1C ZINC000182438919 189323669 /nfs/dbraw/zinc/32/36/69/189323669.db2.gz QSERMIABNCWEKC-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCOCc2ccccc2)CC[NH+]1C ZINC000182438919 189323670 /nfs/dbraw/zinc/32/36/70/189323670.db2.gz QSERMIABNCWEKC-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCOCc2ccccc2)CC[NH+]1C ZINC000182438919 189323671 /nfs/dbraw/zinc/32/36/71/189323671.db2.gz QSERMIABNCWEKC-FUHWJXTLSA-N 2 1 290.451 3.008 20 0 CGADMP CC(C)C[C@@H](CNc1cc[nH+]cc1Cl)[NH+](C)C ZINC000301572850 201074982 /nfs/dbraw/zinc/07/49/82/201074982.db2.gz LJTBJXAOYWPYOD-NSHDSACASA-N 2 1 255.793 3.123 20 0 CGADMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000301666279 201125063 /nfs/dbraw/zinc/12/50/63/201125063.db2.gz WTJRNGPCEDYBBL-DOTOQJQBSA-N 2 1 296.418 3.108 20 0 CGADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000301666279 201125066 /nfs/dbraw/zinc/12/50/66/201125066.db2.gz WTJRNGPCEDYBBL-DOTOQJQBSA-N 2 1 296.418 3.108 20 0 CGADMP Cc1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c(C)[nH+]1 ZINC000301692394 201142339 /nfs/dbraw/zinc/14/23/39/201142339.db2.gz OEVKHVXKDRGDAY-UHFFFAOYSA-N 2 1 276.428 3.123 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000184326967 189383000 /nfs/dbraw/zinc/38/30/00/189383000.db2.gz WOHBEMFLRHBGLJ-HNNXBMFYSA-N 2 1 275.440 3.305 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH+](CC)CC)c1cccnc1 ZINC000184829950 189396969 /nfs/dbraw/zinc/39/69/69/189396969.db2.gz MGNQRMNZBNCCQU-INIZCTEOSA-N 2 1 263.429 3.244 20 0 CGADMP Cc1cccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449051959 239144355 /nfs/dbraw/zinc/14/43/55/239144355.db2.gz YKOWEGMIYZAFHL-AZUAARDMSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC000449107812 239183244 /nfs/dbraw/zinc/18/32/44/239183244.db2.gz OCGCTLJEJCGFAW-HOTGVXAUSA-N 2 1 263.429 3.386 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000119692421 370699782 /nfs/dbraw/zinc/69/97/82/370699782.db2.gz KXUXRTIRNARGGH-QGZVFWFLSA-N 2 1 274.383 3.029 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000335631307 212345968 /nfs/dbraw/zinc/34/59/68/212345968.db2.gz AEGSJWJKCCXGOV-ZWKOTPCHSA-N 2 1 295.430 3.056 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ccoc21 ZINC000335581664 212293714 /nfs/dbraw/zinc/29/37/14/212293714.db2.gz QBNNONZHJIUDAE-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ccoc21 ZINC000335581664 212293715 /nfs/dbraw/zinc/29/37/15/212293715.db2.gz QBNNONZHJIUDAE-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2ccoc21 ZINC000335581664 212293719 /nfs/dbraw/zinc/29/37/19/212293719.db2.gz QBNNONZHJIUDAE-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2ccoc21 ZINC000335581664 212293722 /nfs/dbraw/zinc/29/37/22/212293722.db2.gz QBNNONZHJIUDAE-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CC/C=C/c3ccccc3)C2)C1 ZINC000451064912 240209593 /nfs/dbraw/zinc/20/95/93/240209593.db2.gz TWMKZFXBFLEBES-QKYXPGDISA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC/C=C/c3ccccc3)C2)C1 ZINC000451064912 240209597 /nfs/dbraw/zinc/20/95/97/240209597.db2.gz TWMKZFXBFLEBES-QKYXPGDISA-N 2 1 270.420 3.118 20 0 CGADMP COc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c2ccccc12 ZINC000335560682 212267499 /nfs/dbraw/zinc/26/74/99/212267499.db2.gz LIDDFYOUNRNZPK-UHFFFAOYSA-N 2 1 296.414 3.176 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)[C@H](C)C1 ZINC000459415377 242100382 /nfs/dbraw/zinc/10/03/82/242100382.db2.gz PHECWXIZLKYSDA-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCC[NH2+]C1 ZINC000423344751 291389960 /nfs/dbraw/zinc/38/99/60/291389960.db2.gz OOHHPDNAXXRIMU-WBVHZDCISA-N 2 1 292.398 3.019 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459362781 242091844 /nfs/dbraw/zinc/09/18/44/242091844.db2.gz HDEFVVWBTLHZKO-UHFFFAOYSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459362781 242091847 /nfs/dbraw/zinc/09/18/47/242091847.db2.gz HDEFVVWBTLHZKO-UHFFFAOYSA-N 2 1 285.382 3.339 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000459373669 242093824 /nfs/dbraw/zinc/09/38/24/242093824.db2.gz LEUFFJSFYZCAMC-KDOFPFPSSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000459373669 242093831 /nfs/dbraw/zinc/09/38/31/242093831.db2.gz LEUFFJSFYZCAMC-KDOFPFPSSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)CC[NH+]1C ZINC000459373669 242093835 /nfs/dbraw/zinc/09/38/35/242093835.db2.gz LEUFFJSFYZCAMC-KDOFPFPSSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)CC[NH+]1C ZINC000459373669 242093839 /nfs/dbraw/zinc/09/38/39/242093839.db2.gz LEUFFJSFYZCAMC-KDOFPFPSSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459797911 242240854 /nfs/dbraw/zinc/24/08/54/242240854.db2.gz XFTKNQCBGHGHQD-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2coc3ccccc23)C1 ZINC000459734927 242199808 /nfs/dbraw/zinc/19/98/08/242199808.db2.gz OYMGSMQNMXGFHK-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000459742374 242203585 /nfs/dbraw/zinc/20/35/85/242203585.db2.gz VYEQNGIKYJSUGQ-FMKPAKJESA-N 2 1 276.424 3.225 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1F ZINC000459783538 242232713 /nfs/dbraw/zinc/23/27/13/242232713.db2.gz NKNXGUJQFJDJFL-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]1 ZINC000423374326 288567225 /nfs/dbraw/zinc/56/72/25/288567225.db2.gz JTZMJYLLXZXATJ-OSAQELSMSA-N 2 1 294.826 3.284 20 0 CGADMP Cc1ccsc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121775303 370894716 /nfs/dbraw/zinc/89/47/16/370894716.db2.gz XGANCNSFXOGGOJ-UHFFFAOYSA-N 2 1 289.448 3.245 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000480768889 243164250 /nfs/dbraw/zinc/16/42/50/243164250.db2.gz OJXFEOOOTCECBL-OKZBNKHCSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698323 243121441 /nfs/dbraw/zinc/12/14/41/243121441.db2.gz CRJPIQUSCMLXRW-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000482873136 243247466 /nfs/dbraw/zinc/24/74/66/243247466.db2.gz DKOJVAVBHKFDGT-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCCC2)CC1 ZINC000124273795 370923401 /nfs/dbraw/zinc/92/34/01/370923401.db2.gz SWPPKQRPAXTSPC-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000353246035 296127363 /nfs/dbraw/zinc/12/73/63/296127363.db2.gz DQPLPVKOSZGDNL-RISCZKNCSA-N 2 1 274.399 3.130 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1F ZINC000019905936 368778818 /nfs/dbraw/zinc/77/88/18/368778818.db2.gz VXHMBKVPNZOEOP-LBPRGKRZSA-N 2 1 282.403 3.073 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)s1 ZINC000037118208 369063416 /nfs/dbraw/zinc/06/34/16/369063416.db2.gz FEASNIUFTHSYCA-NSHDSACASA-N 2 1 252.427 3.110 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1ccccc1OC ZINC000037210923 369075236 /nfs/dbraw/zinc/07/52/36/369075236.db2.gz LFXKBVPWPWKXAB-MRXNPFEDSA-N 2 1 278.440 3.468 20 0 CGADMP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1OC ZINC000037229424 369078151 /nfs/dbraw/zinc/07/81/51/369078151.db2.gz SHYAIUDDJLXVLS-INIZCTEOSA-N 2 1 276.424 3.222 20 0 CGADMP CCC[N@@H+](CCCc1ccccc1)C1CC[NH2+]CC1 ZINC000037538854 369088985 /nfs/dbraw/zinc/08/89/85/369088985.db2.gz BQCSMUDTOXRGDZ-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cl ZINC000037649499 369096836 /nfs/dbraw/zinc/09/68/36/369096836.db2.gz ZOYRZMCDADASRK-CHWSQXEVSA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cl ZINC000037649499 369096837 /nfs/dbraw/zinc/09/68/37/369096837.db2.gz ZOYRZMCDADASRK-CHWSQXEVSA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1(C)CC1 ZINC000226701725 296134107 /nfs/dbraw/zinc/13/41/07/296134107.db2.gz CPZWILSSLSGOFX-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000037996443 369136232 /nfs/dbraw/zinc/13/62/32/369136232.db2.gz DVKKAOZQJWVHSA-HNNXBMFYSA-N 2 1 260.425 3.438 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)[C@@H]1C ZINC000494895527 244328661 /nfs/dbraw/zinc/32/86/61/244328661.db2.gz SGKLOOYMHDGNOW-VDERGJSUSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000226436689 189775504 /nfs/dbraw/zinc/77/55/04/189775504.db2.gz WEIAPWBSQPCNCQ-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(F)c(C)c2)CC1 ZINC000049943416 369423853 /nfs/dbraw/zinc/42/38/53/369423853.db2.gz NNWLNNBMEJUNAH-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000053147916 369478224 /nfs/dbraw/zinc/47/82/24/369478224.db2.gz LBVOGNYZGOZRMX-TYNCELHUSA-N 2 1 266.816 3.158 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CC)C1 ZINC000181742039 261189649 /nfs/dbraw/zinc/18/96/49/261189649.db2.gz YPVCMIRXCBYSEX-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000061360588 369598508 /nfs/dbraw/zinc/59/85/08/369598508.db2.gz KSUSNIUQENXKOB-HLVVYCRESA-N 2 1 250.411 3.024 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000061360588 369598512 /nfs/dbraw/zinc/59/85/12/369598512.db2.gz KSUSNIUQENXKOB-HLVVYCRESA-N 2 1 250.411 3.024 20 0 CGADMP Fc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc(F)c1F ZINC000063197402 369643365 /nfs/dbraw/zinc/64/33/65/369643365.db2.gz JJJIIUHNKBHEJT-OAHLLOKOSA-N 2 1 298.352 3.068 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000069754463 369770832 /nfs/dbraw/zinc/77/08/32/369770832.db2.gz LHRPRJPCAOGTEQ-UHFFFAOYSA-N 2 1 287.407 3.159 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(C)s1 ZINC000070148734 369781760 /nfs/dbraw/zinc/78/17/60/369781760.db2.gz ABGWXIFZRYDVHL-AWEZNQCLSA-N 2 1 252.427 3.068 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000076001179 369925151 /nfs/dbraw/zinc/92/51/51/369925151.db2.gz RMIAIFISADPNNB-INIZCTEOSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000092383754 370096133 /nfs/dbraw/zinc/09/61/33/370096133.db2.gz ILPUROVZBWHVAA-GOSISDBHSA-N 2 1 288.435 3.147 20 0 CGADMP CC[C@@H](C)C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000093075039 370105592 /nfs/dbraw/zinc/10/55/92/370105592.db2.gz SLZSDUMGCCREIW-CYBMUJFWSA-N 2 1 293.455 3.139 20 0 CGADMP C[N@H+](Cc1cc2cc(F)ccc2o1)CC1CC[NH+](C)CC1 ZINC000093088662 370108476 /nfs/dbraw/zinc/10/84/76/370108476.db2.gz DHQASCPRILELEO-UHFFFAOYSA-N 2 1 290.382 3.346 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nccc2ccccc21 ZINC000423518522 296153327 /nfs/dbraw/zinc/15/33/27/296153327.db2.gz ZIWDNCWMLCWTBL-DYVFJYSZSA-N 2 1 283.419 3.403 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093770208 370158532 /nfs/dbraw/zinc/15/85/32/370158532.db2.gz CSXMZFTZQNLDAW-MRXNPFEDSA-N 2 1 290.451 3.086 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093770208 370158533 /nfs/dbraw/zinc/15/85/33/370158533.db2.gz CSXMZFTZQNLDAW-MRXNPFEDSA-N 2 1 290.451 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093770208 370158536 /nfs/dbraw/zinc/15/85/36/370158536.db2.gz CSXMZFTZQNLDAW-MRXNPFEDSA-N 2 1 290.451 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093770208 370158540 /nfs/dbraw/zinc/15/85/40/370158540.db2.gz CSXMZFTZQNLDAW-MRXNPFEDSA-N 2 1 290.451 3.086 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010663 370165267 /nfs/dbraw/zinc/16/52/67/370165267.db2.gz ADRTYVQFKYOYQG-SFHVURJKSA-N 2 1 288.435 3.004 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000094368417 370166429 /nfs/dbraw/zinc/16/64/29/370166429.db2.gz KDRSYEHGBSUYSQ-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCC(C)(C)CC2)CCCC1 ZINC000097602873 370248551 /nfs/dbraw/zinc/24/85/51/370248551.db2.gz ZTXYQDMPCUQBLE-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000219694568 376200876 /nfs/dbraw/zinc/20/08/76/376200876.db2.gz MKBHYNPPPWNEJW-XYPWUTKMSA-N 2 1 278.827 3.363 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000513673919 245090210 /nfs/dbraw/zinc/09/02/10/245090210.db2.gz ZSKNPJHQPWRRTD-KFPRQRBHSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000514081153 245105527 /nfs/dbraw/zinc/10/55/27/245105527.db2.gz AYFISSVVPYUSEG-SPUZQDLCSA-N 2 1 272.436 3.253 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130351330 371027151 /nfs/dbraw/zinc/02/71/51/371027151.db2.gz DHOFBBYUNCNUCH-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130560441 371042498 /nfs/dbraw/zinc/04/24/98/371042498.db2.gz KJSXBCAFCRXKFJ-INMHGKMJSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130560441 371042504 /nfs/dbraw/zinc/04/25/04/371042504.db2.gz KJSXBCAFCRXKFJ-INMHGKMJSA-N 2 1 260.425 3.437 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133316008 371242588 /nfs/dbraw/zinc/24/25/88/371242588.db2.gz HUSPRXIVCTZQRK-STQMWFEESA-N 2 1 295.496 3.055 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1Cl ZINC000133417590 371249286 /nfs/dbraw/zinc/24/92/86/371249286.db2.gz LLAQWTWJHZQORB-AWEZNQCLSA-N 2 1 284.831 3.154 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1C ZINC000133601753 371264937 /nfs/dbraw/zinc/26/49/37/371264937.db2.gz HJNOGHHESZJPAZ-UHFFFAOYSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1OC(F)F ZINC000133692279 371271810 /nfs/dbraw/zinc/27/18/10/371271810.db2.gz QTICLGOJDUFRCS-NWDGAFQWSA-N 2 1 284.350 3.081 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000134108962 371303127 /nfs/dbraw/zinc/30/31/27/371303127.db2.gz BJHQRXQFCNOFAD-TWMKSMIVSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000134108962 371303129 /nfs/dbraw/zinc/30/31/29/371303129.db2.gz BJHQRXQFCNOFAD-TWMKSMIVSA-N 2 1 296.499 3.148 20 0 CGADMP Fc1cc(F)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134183508 371310792 /nfs/dbraw/zinc/31/07/92/371310792.db2.gz HCHWPTCHRHUJMF-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000135147682 371395673 /nfs/dbraw/zinc/39/56/73/371395673.db2.gz SWGKEDOBIBGTHC-VQIMIIECSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2F)C1 ZINC000151099913 371568153 /nfs/dbraw/zinc/56/81/53/371568153.db2.gz SKICAHHRWCIISP-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2F)C1 ZINC000151099913 371568160 /nfs/dbraw/zinc/56/81/60/371568160.db2.gz SKICAHHRWCIISP-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000151132277 371574452 /nfs/dbraw/zinc/57/44/52/371574452.db2.gz PMZADYJEYJXCLW-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC000421820547 371642989 /nfs/dbraw/zinc/64/29/89/371642989.db2.gz MUGYVPJWKUSBPP-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP COC1([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000421860990 371682874 /nfs/dbraw/zinc/68/28/74/371682874.db2.gz UVSLTIITHBPNID-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP COC1([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000421860992 371682926 /nfs/dbraw/zinc/68/29/26/371682926.db2.gz UVSLTIITHBPNID-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP COC1([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000421860988 371683849 /nfs/dbraw/zinc/68/38/49/371683849.db2.gz UVSLTIITHBPNID-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345437 214021203 /nfs/dbraw/zinc/02/12/03/214021203.db2.gz VBCQLKOYGRTHQV-XYJFISCASA-N 2 1 289.467 3.428 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345437 214021206 /nfs/dbraw/zinc/02/12/06/214021206.db2.gz VBCQLKOYGRTHQV-XYJFISCASA-N 2 1 289.467 3.428 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422564694 371752185 /nfs/dbraw/zinc/75/21/85/371752185.db2.gz WRFBWSJNVMLKHJ-UPJWGTAASA-N 2 1 281.469 3.072 20 0 CGADMP CC(C)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422564694 371752195 /nfs/dbraw/zinc/75/21/95/371752195.db2.gz WRFBWSJNVMLKHJ-UPJWGTAASA-N 2 1 281.469 3.072 20 0 CGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422712143 371764309 /nfs/dbraw/zinc/76/43/09/371764309.db2.gz GMNKVZATKPLBMA-DGCLKSJQSA-N 2 1 291.420 3.010 20 0 CGADMP C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000422716491 371765314 /nfs/dbraw/zinc/76/53/14/371765314.db2.gz NHHKWFZVEXVZMG-XKQJLSEDSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422747333 371781890 /nfs/dbraw/zinc/78/18/90/371781890.db2.gz PWHMESXXKODHRR-CABCVRRESA-N 2 1 272.392 3.491 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)on1 ZINC000422782602 371802978 /nfs/dbraw/zinc/80/29/78/371802978.db2.gz JUMKOOFEDBKCMI-SWLSCSKDSA-N 2 1 279.428 3.056 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)on1 ZINC000422782604 371803297 /nfs/dbraw/zinc/80/32/97/371803297.db2.gz JUMKOOFEDBKCMI-WFASDCNBSA-N 2 1 279.428 3.056 20 0 CGADMP CCOCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422838887 371835110 /nfs/dbraw/zinc/83/51/10/371835110.db2.gz YMSHKUWTANLBLG-RBUKOAKNSA-N 2 1 296.414 3.458 20 0 CGADMP CC(C)c1ccc(OCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422946051 371885371 /nfs/dbraw/zinc/88/53/71/371885371.db2.gz OETWGLWQCSDONE-AWEZNQCLSA-N 2 1 299.418 3.347 20 0 CGADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422883722 371853683 /nfs/dbraw/zinc/85/36/83/371853683.db2.gz CUAVRCVGTZRVEL-WBMJQRKESA-N 2 1 296.842 3.011 20 0 CGADMP C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422902092 371861830 /nfs/dbraw/zinc/86/18/30/371861830.db2.gz CXGSTFSCGRVLRU-CYBMUJFWSA-N 2 1 299.443 3.470 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932731 371877473 /nfs/dbraw/zinc/87/74/73/371877473.db2.gz GNWPGLCHIQTLIH-ZWKOTPCHSA-N 2 1 296.414 3.202 20 0 CGADMP C[C@@H]([NH2+]CCc1csc2ccccc12)[C@H]1CCC[NH2+]1 ZINC000422935542 371880062 /nfs/dbraw/zinc/88/00/62/371880062.db2.gz KVXVVWCGZFNRNY-IUODEOHRSA-N 2 1 274.433 3.174 20 0 CGADMP CN(C)c1ccccc1C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000344076267 217039755 /nfs/dbraw/zinc/03/97/55/217039755.db2.gz SUYMYXMCRCOONK-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP CN(C)c1ccccc1C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000344076267 217039756 /nfs/dbraw/zinc/03/97/56/217039756.db2.gz SUYMYXMCRCOONK-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000290030564 371884688 /nfs/dbraw/zinc/88/46/88/371884688.db2.gz NJJZHKOWWULMKK-INIZCTEOSA-N 2 1 289.398 3.479 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000423056661 371937884 /nfs/dbraw/zinc/93/78/84/371937884.db2.gz XVNYNQNKQOUIKH-CYBMUJFWSA-N 2 1 269.392 3.468 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422989953 371903598 /nfs/dbraw/zinc/90/35/98/371903598.db2.gz MRBHNPPRAMTZCQ-MAUKXSAKSA-N 2 1 290.451 3.138 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000423011458 371914466 /nfs/dbraw/zinc/91/44/66/371914466.db2.gz ZRMRLJLTEQONEU-KSZLIROESA-N 3 1 295.515 3.006 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423045998 371931254 /nfs/dbraw/zinc/93/12/54/371931254.db2.gz DSGGUIWUWHSKLJ-JKSUJKDBSA-N 2 1 272.392 3.491 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423046842 371931909 /nfs/dbraw/zinc/93/19/09/371931909.db2.gz FFUKNCVGDYRAKR-OFQRWUPVSA-N 2 1 278.465 3.206 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000290373809 371975320 /nfs/dbraw/zinc/97/53/20/371975320.db2.gz HQAQVDBAWKSKSM-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000290373809 371975324 /nfs/dbraw/zinc/97/53/24/371975324.db2.gz HQAQVDBAWKSKSM-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC000290373809 371975329 /nfs/dbraw/zinc/97/53/29/371975329.db2.gz HQAQVDBAWKSKSM-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC000290373809 371975333 /nfs/dbraw/zinc/97/53/33/371975333.db2.gz HQAQVDBAWKSKSM-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423171799 372002079 /nfs/dbraw/zinc/00/20/79/372002079.db2.gz QAVXHDDQVQMHCR-HOTGVXAUSA-N 2 1 275.440 3.129 20 0 CGADMP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C1(O)CCCC1 ZINC000423170741 372002642 /nfs/dbraw/zinc/00/26/42/372002642.db2.gz YRNIJXZFGQMINV-HZPDHXFCSA-N 2 1 288.435 3.052 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156575238 371986451 /nfs/dbraw/zinc/98/64/51/371986451.db2.gz RRLQBEKUNRQZCT-QLFBSQMISA-N 2 1 276.424 3.137 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156575238 371986458 /nfs/dbraw/zinc/98/64/58/371986458.db2.gz RRLQBEKUNRQZCT-QLFBSQMISA-N 2 1 276.424 3.137 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H](C)c3c[nH+]ccc3N)CC2)c(C)c1 ZINC000423148134 371991958 /nfs/dbraw/zinc/99/19/58/371991958.db2.gz ULYHMTROKJTXKA-OAHLLOKOSA-N 2 1 295.430 3.493 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423082819 371952489 /nfs/dbraw/zinc/95/24/89/371952489.db2.gz XURUDEHOIIPZHD-SJORKVTESA-N 3 1 295.515 3.009 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559618 372017466 /nfs/dbraw/zinc/01/74/66/372017466.db2.gz SHYRUYAZSOIZGH-XHDPSFHLSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559618 372017474 /nfs/dbraw/zinc/01/74/74/372017474.db2.gz SHYRUYAZSOIZGH-XHDPSFHLSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559618 372017479 /nfs/dbraw/zinc/01/74/79/372017479.db2.gz SHYRUYAZSOIZGH-XHDPSFHLSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559618 372017489 /nfs/dbraw/zinc/01/74/89/372017489.db2.gz SHYRUYAZSOIZGH-XHDPSFHLSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189641 372017902 /nfs/dbraw/zinc/01/79/02/372017902.db2.gz PVRLXIGLFHCPNH-OAHLLOKOSA-N 2 1 277.456 3.366 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C(C)(C)C ZINC000423193115 372019261 /nfs/dbraw/zinc/01/92/61/372019261.db2.gz WOHCIAIFFCHCLR-INIZCTEOSA-N 2 1 277.456 3.366 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290593877 372024587 /nfs/dbraw/zinc/02/45/87/372024587.db2.gz VNCOXCQQCLKPCK-QAPCUYQASA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290593877 372024590 /nfs/dbraw/zinc/02/45/90/372024590.db2.gz VNCOXCQQCLKPCK-QAPCUYQASA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290593877 372024596 /nfs/dbraw/zinc/02/45/96/372024596.db2.gz VNCOXCQQCLKPCK-QAPCUYQASA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290593877 372024599 /nfs/dbraw/zinc/02/45/99/372024599.db2.gz VNCOXCQQCLKPCK-QAPCUYQASA-N 2 1 290.451 3.246 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290622261 372030182 /nfs/dbraw/zinc/03/01/82/372030182.db2.gz XIKUAJZYJOVYHJ-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290622261 372030186 /nfs/dbraw/zinc/03/01/86/372030186.db2.gz XIKUAJZYJOVYHJ-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290622261 372030192 /nfs/dbraw/zinc/03/01/92/372030192.db2.gz XIKUAJZYJOVYHJ-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290622261 372030197 /nfs/dbraw/zinc/03/01/97/372030197.db2.gz XIKUAJZYJOVYHJ-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CC2)[C@H](C)C1 ZINC000157651300 372031477 /nfs/dbraw/zinc/03/14/77/372031477.db2.gz DULSMDONJXPCEH-SJLPKXTDSA-N 2 1 286.463 3.347 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc2cccnc12 ZINC000344160938 217079777 /nfs/dbraw/zinc/07/97/77/217079777.db2.gz GFSLBNCUTPKXRR-ROUUACIJSA-N 2 1 295.430 3.260 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)CCC2 ZINC000423258348 372044009 /nfs/dbraw/zinc/04/40/09/372044009.db2.gz BKCGSEYJANIHTA-RHSMWYFYSA-N 2 1 276.424 3.036 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423262191 372044076 /nfs/dbraw/zinc/04/40/76/372044076.db2.gz LYSWCYKTVGPVQT-HIFRSBDPSA-N 2 1 266.816 3.290 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CSCCc2ccccc21 ZINC000423303544 372049464 /nfs/dbraw/zinc/04/94/64/372049464.db2.gz XFRHGZRGIUAGJR-ZBFHGGJFSA-N 2 1 278.465 3.124 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1F ZINC000423185956 372013415 /nfs/dbraw/zinc/01/34/15/372013415.db2.gz KHBJMYZPKLQYFJ-AWEZNQCLSA-N 2 1 287.382 3.051 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000344221571 217105221 /nfs/dbraw/zinc/10/52/21/217105221.db2.gz MXGAAQTYFMJNRV-BZUAXINKSA-N 2 1 250.430 3.195 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@H]2CCC[C@@H]21 ZINC000423422872 372062655 /nfs/dbraw/zinc/06/26/55/372062655.db2.gz ZJNBJUWESFBKCU-NEWSRXKRSA-N 2 1 299.462 3.007 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C1CCCC1 ZINC000423516898 372071018 /nfs/dbraw/zinc/07/10/18/372071018.db2.gz YHAIFNNLVUXUON-IRXDYDNUSA-N 2 1 276.399 3.310 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4ccccc4c3)C2)C1 ZINC000428990336 372298996 /nfs/dbraw/zinc/29/89/96/372298996.db2.gz FSCSWHPAVSMYJO-LJQANCHMSA-N 2 1 280.415 3.367 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000428990336 372298999 /nfs/dbraw/zinc/29/89/99/372298999.db2.gz FSCSWHPAVSMYJO-LJQANCHMSA-N 2 1 280.415 3.367 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000428990336 372299005 /nfs/dbraw/zinc/29/90/05/372299005.db2.gz FSCSWHPAVSMYJO-LJQANCHMSA-N 2 1 280.415 3.367 20 0 CGADMP C[C@@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000430929957 372406874 /nfs/dbraw/zinc/40/68/74/372406874.db2.gz YRWSIKGZTUHTKO-TZMCWYRMSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000293575981 372414551 /nfs/dbraw/zinc/41/45/51/372414551.db2.gz HIQMKWUVTSGWBO-QAPCUYQASA-N 2 1 290.426 3.347 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000293575981 372414557 /nfs/dbraw/zinc/41/45/57/372414557.db2.gz HIQMKWUVTSGWBO-QAPCUYQASA-N 2 1 290.426 3.347 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000293575981 372414562 /nfs/dbraw/zinc/41/45/62/372414562.db2.gz HIQMKWUVTSGWBO-QAPCUYQASA-N 2 1 290.426 3.347 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000163223385 372455803 /nfs/dbraw/zinc/45/58/03/372455803.db2.gz WNTJXBDLVPPOKB-DJIMGWMZSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000163223385 372455807 /nfs/dbraw/zinc/45/58/07/372455807.db2.gz WNTJXBDLVPPOKB-DJIMGWMZSA-N 2 1 290.476 3.135 20 0 CGADMP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000293701913 372456026 /nfs/dbraw/zinc/45/60/26/372456026.db2.gz MELSRVWYNWOXJB-UGSOOPFHSA-N 2 1 299.418 3.256 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)C[NH+](C)C ZINC000293905905 372519261 /nfs/dbraw/zinc/51/92/61/372519261.db2.gz ZUMAVDYXZLVOBT-FZMZJTMJSA-N 2 1 282.428 3.150 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000164695616 372530282 /nfs/dbraw/zinc/53/02/82/372530282.db2.gz ZTGMFFJSHUZHCF-CQSZACIVSA-N 2 1 289.427 3.100 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)o1 ZINC000165343905 372548878 /nfs/dbraw/zinc/54/88/78/372548878.db2.gz UWDSXGQEILGUQM-KBPBESRZSA-N 2 1 264.413 3.225 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377533 372571980 /nfs/dbraw/zinc/57/19/80/372571980.db2.gz QQDWQEPOKLSAGF-VYDXJSESSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377533 372571984 /nfs/dbraw/zinc/57/19/84/372571984.db2.gz QQDWQEPOKLSAGF-VYDXJSESSA-N 2 1 298.434 3.006 20 0 CGADMP CCSCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000167263810 372592747 /nfs/dbraw/zinc/59/27/47/372592747.db2.gz QFOWYDZKMHRVJC-UHFFFAOYSA-N 2 1 292.492 3.384 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000294175702 372603312 /nfs/dbraw/zinc/60/33/12/372603312.db2.gz DBGVTTDMWMQTCL-WFASDCNBSA-N 2 1 264.438 3.273 20 0 CGADMP CC[C@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435446036 372765215 /nfs/dbraw/zinc/76/52/15/372765215.db2.gz IWKMYUDYMKLYBO-WBVHZDCISA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435395083 372758088 /nfs/dbraw/zinc/75/80/88/372758088.db2.gz QWHSYJXUEWFLBH-CQSZACIVSA-N 2 1 296.842 3.313 20 0 CGADMP C[N@@H+](CCc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435619706 372787007 /nfs/dbraw/zinc/78/70/07/372787007.db2.gz VTKQUFYLCNSAFD-GFCCVEGCSA-N 2 1 284.806 3.096 20 0 CGADMP C[NH2+]CCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000435885358 372822439 /nfs/dbraw/zinc/82/24/39/372822439.db2.gz IZKMGOHNTCNINN-QGZVFWFLSA-N 2 1 258.409 3.138 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000133438757 284354696 /nfs/dbraw/zinc/35/46/96/284354696.db2.gz RIODMDKXVORMBD-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000133438757 284354700 /nfs/dbraw/zinc/35/47/00/284354700.db2.gz RIODMDKXVORMBD-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000133438757 284354705 /nfs/dbraw/zinc/35/47/05/284354705.db2.gz RIODMDKXVORMBD-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000353494581 220116344 /nfs/dbraw/zinc/11/63/44/220116344.db2.gz CXPKMFQLRFDCDJ-LBPRGKRZSA-N 2 1 293.361 3.081 20 0 CGADMP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)s1 ZINC000172582952 372990526 /nfs/dbraw/zinc/99/05/26/372990526.db2.gz SHBDHUWPJUQPTB-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)s1 ZINC000172582952 372990535 /nfs/dbraw/zinc/99/05/35/372990535.db2.gz SHBDHUWPJUQPTB-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000172582952 372990541 /nfs/dbraw/zinc/99/05/41/372990541.db2.gz SHBDHUWPJUQPTB-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000172582952 372990546 /nfs/dbraw/zinc/99/05/46/372990546.db2.gz SHBDHUWPJUQPTB-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000296365528 373107129 /nfs/dbraw/zinc/10/71/29/373107129.db2.gz IFZYKNPHSBYYAE-GDBMZVCRSA-N 2 1 296.480 3.290 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000442918084 373127996 /nfs/dbraw/zinc/12/79/96/373127996.db2.gz FSBJUXVFIVCQCI-LSYFEZSPSA-N 2 1 280.362 3.039 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC000444616213 373211283 /nfs/dbraw/zinc/21/12/83/373211283.db2.gz CDSIVJGJCRBGQA-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP CCc1ccccc1CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000444681136 373232985 /nfs/dbraw/zinc/23/29/85/373232985.db2.gz SVRSTBJKJKTLBP-UHFFFAOYSA-N 2 1 286.463 3.352 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000174453059 373319688 /nfs/dbraw/zinc/31/96/88/373319688.db2.gz TULNEMPHVCMVTA-UHFFFAOYSA-N 2 1 282.391 3.243 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000174629809 373346794 /nfs/dbraw/zinc/34/67/94/373346794.db2.gz XTKXOJCTQZQUPR-SWLSCSKDSA-N 2 1 266.454 3.130 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000298536717 373350554 /nfs/dbraw/zinc/35/05/54/373350554.db2.gz SPFLZBNTZBSDJQ-UHFFFAOYSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000300239257 373622345 /nfs/dbraw/zinc/62/23/45/373622345.db2.gz QKBUUOIATWZZPT-LTIDMASMSA-N 2 1 264.457 3.418 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000449436983 373715926 /nfs/dbraw/zinc/71/59/26/373715926.db2.gz YIVHCVIWTKHBEJ-AAEUAGOBSA-N 2 1 278.362 3.181 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCCC2)s1 ZINC000178411869 373773662 /nfs/dbraw/zinc/77/36/62/373773662.db2.gz LFXLIGBPGGWMHI-LBPRGKRZSA-N 2 1 281.469 3.150 20 0 CGADMP CCOc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000353663132 220236863 /nfs/dbraw/zinc/23/68/63/220236863.db2.gz BROGCTNGOONNNV-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000353663132 220236867 /nfs/dbraw/zinc/23/68/67/220236867.db2.gz BROGCTNGOONNNV-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000353663132 220236872 /nfs/dbraw/zinc/23/68/72/220236872.db2.gz BROGCTNGOONNNV-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000353663132 220236873 /nfs/dbraw/zinc/23/68/73/220236873.db2.gz BROGCTNGOONNNV-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCCC[C@@H](CC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178706361 373805836 /nfs/dbraw/zinc/80/58/36/373805836.db2.gz CDJMNKVMPJTNCG-UKRRQHHQSA-N 2 1 251.418 3.386 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000178976385 373823778 /nfs/dbraw/zinc/82/37/78/373823778.db2.gz FZGXRQVQDHQOEQ-UHFFFAOYSA-N 2 1 299.245 3.351 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000306056578 374125509 /nfs/dbraw/zinc/12/55/09/374125509.db2.gz RFADXWHPJDCYOU-CYBMUJFWSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000306056578 374125516 /nfs/dbraw/zinc/12/55/16/374125516.db2.gz RFADXWHPJDCYOU-CYBMUJFWSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@]1(C[NH2+]Cc2cc[nH]c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309735190 374195203 /nfs/dbraw/zinc/19/52/03/374195203.db2.gz QJVWALWCAZCNQQ-SFHVURJKSA-N 2 1 283.419 3.017 20 0 CGADMP CC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309972784 374204300 /nfs/dbraw/zinc/20/43/00/374204300.db2.gz OQAGZGYIFGWPIA-RYQLBKOJSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309972784 374204305 /nfs/dbraw/zinc/20/43/05/374204305.db2.gz OQAGZGYIFGWPIA-RYQLBKOJSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309972784 374204310 /nfs/dbraw/zinc/20/43/10/374204310.db2.gz OQAGZGYIFGWPIA-RYQLBKOJSA-N 2 1 272.436 3.239 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H]1CC2CCC1CC2 ZINC000311109311 374233390 /nfs/dbraw/zinc/23/33/90/374233390.db2.gz WCTVDQAEYCBKOV-CKUJCDMFSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)c1 ZINC000311573072 374248090 /nfs/dbraw/zinc/24/80/90/374248090.db2.gz AWZQCVGAAYNTDR-DOTOQJQBSA-N 2 1 260.425 3.344 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c(C)s1 ZINC000182741400 374321141 /nfs/dbraw/zinc/32/11/41/374321141.db2.gz QWOUOFCCFWBSMT-JSGCOSHPSA-N 2 1 266.454 3.500 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000328298886 374362439 /nfs/dbraw/zinc/36/24/39/374362439.db2.gz UCXIHZFTEQIQEO-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182999437 374353216 /nfs/dbraw/zinc/35/32/16/374353216.db2.gz UUWHAHIDNSUHEO-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)c1cnc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000183127251 374375647 /nfs/dbraw/zinc/37/56/47/374375647.db2.gz PHLWVRKZUXRAHK-KGLIPLIRSA-N 2 1 293.480 3.183 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000453339814 374432044 /nfs/dbraw/zinc/43/20/44/374432044.db2.gz GXJYWCHDBGJEGX-JALIKCBVSA-N 2 1 252.446 3.416 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)[C@@H]1OC ZINC000453361177 374448560 /nfs/dbraw/zinc/44/85/60/374448560.db2.gz QSKRHNYJWWHUGB-FUJRLIFFSA-N 2 1 294.483 3.041 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CC1 ZINC000453402764 374473149 /nfs/dbraw/zinc/47/31/49/374473149.db2.gz NUPDWYVLYOYSEP-CGTJXYLNSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1nccn1CCCC[N@H+](C)C[C@H](C)c1nccs1 ZINC000183929665 374474385 /nfs/dbraw/zinc/47/43/85/374474385.db2.gz HHODFIQHRLXDKF-ZDUSSCGKSA-N 2 1 292.452 3.164 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183929665 374474395 /nfs/dbraw/zinc/47/43/95/374474395.db2.gz HHODFIQHRLXDKF-ZDUSSCGKSA-N 2 1 292.452 3.164 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H](C)c1nccs1 ZINC000183929665 374474402 /nfs/dbraw/zinc/47/44/02/374474402.db2.gz HHODFIQHRLXDKF-ZDUSSCGKSA-N 2 1 292.452 3.164 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000183953724 374477554 /nfs/dbraw/zinc/47/75/54/374477554.db2.gz RVDYWZDYGAIKOT-HNNXBMFYSA-N 2 1 292.471 3.237 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000331106563 374504064 /nfs/dbraw/zinc/50/40/64/374504064.db2.gz GRIQSLQUVIFXLH-XUWVNRHRSA-N 2 1 295.471 3.038 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000185471418 374669065 /nfs/dbraw/zinc/66/90/65/374669065.db2.gz HYMKHVQADCWJRB-HNNXBMFYSA-N 2 1 278.465 3.230 20 0 CGADMP C[C@H]([NH2+]CCOC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680799 374713036 /nfs/dbraw/zinc/71/30/36/374713036.db2.gz VCXPCWAEVQOVJH-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cnc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185700814 374716656 /nfs/dbraw/zinc/71/66/56/374716656.db2.gz KRUVTTIJQYYLGZ-KBPBESRZSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1cnc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185700835 374717460 /nfs/dbraw/zinc/71/74/60/374717460.db2.gz KRUVTTIJQYYLGZ-KGLIPLIRSA-N 2 1 293.480 3.194 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459724965 374817601 /nfs/dbraw/zinc/81/76/01/374817601.db2.gz AVFRLAYVRBGRLM-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000464780466 374897939 /nfs/dbraw/zinc/89/79/39/374897939.db2.gz SWSKAQZQOGXBES-OKZBNKHCSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000464780466 374897943 /nfs/dbraw/zinc/89/79/43/374897943.db2.gz SWSKAQZQOGXBES-OKZBNKHCSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528219 541987725 /nfs/dbraw/zinc/98/77/25/541987725.db2.gz GWAGZXQAVXMWGB-SUMWQHHRSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528219 541987729 /nfs/dbraw/zinc/98/77/29/541987729.db2.gz GWAGZXQAVXMWGB-SUMWQHHRSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCSCC1 ZINC000186942926 374941708 /nfs/dbraw/zinc/94/17/08/374941708.db2.gz DFIOPYPSZDUZHJ-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000472748116 375032082 /nfs/dbraw/zinc/03/20/82/375032082.db2.gz ILWISOBGKBOEGX-MSOLQXFVSA-N 2 1 272.436 3.350 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C3Cc4ccccc4C3)CC[NH2+]2)cc1 ZINC000335041673 375088561 /nfs/dbraw/zinc/08/85/61/375088561.db2.gz RBTXEVHTBWEXCH-UYAOXDASSA-N 2 1 292.426 3.237 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)ccn1 ZINC000187799671 375097875 /nfs/dbraw/zinc/09/78/75/375097875.db2.gz FNGJRYAWKMIYTI-UKRRQHHQSA-N 2 1 293.480 3.014 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)ccn1 ZINC000187799671 375097880 /nfs/dbraw/zinc/09/78/80/375097880.db2.gz FNGJRYAWKMIYTI-UKRRQHHQSA-N 2 1 293.480 3.014 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000475348351 375133550 /nfs/dbraw/zinc/13/35/50/375133550.db2.gz CYOZHRZFVAREPP-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698353 375155148 /nfs/dbraw/zinc/15/51/48/375155148.db2.gz CZGVVMMRXUTCLT-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000483142198 375175802 /nfs/dbraw/zinc/17/58/02/375175802.db2.gz USCXVDNDWHJQGN-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C(CC)CC)[NH+](C)C ZINC000474471139 375113850 /nfs/dbraw/zinc/11/38/50/375113850.db2.gz FWMJRNKAFLWPJG-GVDBMIGSSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000474473072 375114073 /nfs/dbraw/zinc/11/40/73/375114073.db2.gz JFOBEXZSGUVLSG-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000474473072 375114080 /nfs/dbraw/zinc/11/40/80/375114080.db2.gz JFOBEXZSGUVLSG-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP Fc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c(F)c1 ZINC000335222151 375241421 /nfs/dbraw/zinc/24/14/21/375241421.db2.gz XIQIDVVKSTWGDV-PBWFPOADSA-N 2 1 292.373 3.217 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCCO1 ZINC000189098217 375324376 /nfs/dbraw/zinc/32/43/76/375324376.db2.gz PXJOTGGNFNKFNU-ROUUACIJSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000335843534 375477151 /nfs/dbraw/zinc/47/71/51/375477151.db2.gz HRBYTCIWSMZSGS-IUODEOHRSA-N 2 1 298.434 3.203 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000335843534 375477160 /nfs/dbraw/zinc/47/71/60/375477160.db2.gz HRBYTCIWSMZSGS-IUODEOHRSA-N 2 1 298.434 3.203 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1C=CCCC1 ZINC000191508732 375636475 /nfs/dbraw/zinc/63/64/75/375636475.db2.gz VJYHRZURKAKJMW-OAHLLOKOSA-N 2 1 261.413 3.266 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1C=CCCC1 ZINC000191508732 375636485 /nfs/dbraw/zinc/63/64/85/375636485.db2.gz VJYHRZURKAKJMW-OAHLLOKOSA-N 2 1 261.413 3.266 20 0 CGADMP COC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192024430 375690044 /nfs/dbraw/zinc/69/00/44/375690044.db2.gz CTQWYKCNVFHNHK-MRXNPFEDSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000123889034 542030117 /nfs/dbraw/zinc/03/01/17/542030117.db2.gz XEWVAHYDASSBME-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000508534545 375748879 /nfs/dbraw/zinc/74/88/79/375748879.db2.gz PFIRVSQRAIRZDS-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000508534545 375748886 /nfs/dbraw/zinc/74/88/86/375748886.db2.gz PFIRVSQRAIRZDS-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000508534545 375748892 /nfs/dbraw/zinc/74/88/92/375748892.db2.gz PFIRVSQRAIRZDS-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192882824 375797936 /nfs/dbraw/zinc/79/79/36/375797936.db2.gz ZJQDJGAQLVYVKL-MIGBEJBISA-N 2 1 272.436 3.313 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1cccs1 ZINC000192902041 375799492 /nfs/dbraw/zinc/79/94/92/375799492.db2.gz DPJINYYULMBDAL-FFHGMXDLSA-N 2 1 278.465 3.142 20 0 CGADMP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]cc1C ZINC000192924810 375803005 /nfs/dbraw/zinc/80/30/05/375803005.db2.gz ZQUFHRGVWCILMQ-UHFFFAOYSA-N 2 1 272.396 3.066 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000516650828 375822432 /nfs/dbraw/zinc/82/24/32/375822432.db2.gz VAXBMQFJONVVSI-FUHWJXTLSA-N 2 1 274.452 3.358 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000519600652 375849755 /nfs/dbraw/zinc/84/97/55/375849755.db2.gz CPMYGDXIZSTRJQ-DPWYAMJXSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000519600652 375849765 /nfs/dbraw/zinc/84/97/65/375849765.db2.gz CPMYGDXIZSTRJQ-DPWYAMJXSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000519600652 375849769 /nfs/dbraw/zinc/84/97/69/375849769.db2.gz CPMYGDXIZSTRJQ-DPWYAMJXSA-N 2 1 294.389 3.250 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336616977 375879061 /nfs/dbraw/zinc/87/90/61/375879061.db2.gz HJQGBNBJHHBRGV-SHWKFHJASA-N 2 1 250.430 3.028 20 0 CGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000336806363 375957296 /nfs/dbraw/zinc/95/72/96/375957296.db2.gz VUVRZDADJGLMLQ-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534236804 375964389 /nfs/dbraw/zinc/96/43/89/375964389.db2.gz AMQFAKBCMYDQGK-MRXNPFEDSA-N 2 1 278.827 3.401 20 0 CGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)CC(C)C ZINC000336793628 375943061 /nfs/dbraw/zinc/94/30/61/375943061.db2.gz XQPNIIMPIPOIOY-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)CC(C)C ZINC000336793628 375943064 /nfs/dbraw/zinc/94/30/64/375943064.db2.gz XQPNIIMPIPOIOY-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1Cc2ccccc2C1 ZINC000336840630 376003287 /nfs/dbraw/zinc/00/32/87/376003287.db2.gz XLJSBBPAMFFGOW-UHFFFAOYSA-N 2 1 283.419 3.071 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1Cc2ccccc2C1 ZINC000336840630 376003296 /nfs/dbraw/zinc/00/32/96/376003296.db2.gz XLJSBBPAMFFGOW-UHFFFAOYSA-N 2 1 283.419 3.071 20 0 CGADMP COc1ccsc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536652097 376110475 /nfs/dbraw/zinc/11/04/75/376110475.db2.gz GEHFFXSDBCKMPK-UHFFFAOYSA-N 2 1 296.480 3.309 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC2CCOCC2)C[C@H]1C ZINC000337175981 376116253 /nfs/dbraw/zinc/11/62/53/376116253.db2.gz IZMZLWZPSUGDDV-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC2CCOCC2)C[C@H]1C ZINC000337175981 376116259 /nfs/dbraw/zinc/11/62/59/376116259.db2.gz IZMZLWZPSUGDDV-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC2CCOCC2)C[C@H]1C ZINC000337175981 376116265 /nfs/dbraw/zinc/11/62/65/376116265.db2.gz IZMZLWZPSUGDDV-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)[C@H](C)C1 ZINC000536851865 376136920 /nfs/dbraw/zinc/13/69/20/376136920.db2.gz LAEVIALYMHWXGU-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000212809289 376139423 /nfs/dbraw/zinc/13/94/23/376139423.db2.gz SROIZBPYPJKXHW-GHMZBOCLSA-N 2 1 272.795 3.470 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217521562 376175082 /nfs/dbraw/zinc/17/50/82/376175082.db2.gz ZPKVZTTXTLSMAC-NEPJUHHUSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217521562 376175092 /nfs/dbraw/zinc/17/50/92/376175092.db2.gz ZPKVZTTXTLSMAC-NEPJUHHUSA-N 2 1 252.789 3.072 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000536698866 376122919 /nfs/dbraw/zinc/12/29/19/376122919.db2.gz XSHRLSXPTNCZFY-HNNXBMFYSA-N 2 1 292.492 3.474 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000536698866 376122927 /nfs/dbraw/zinc/12/29/27/376122927.db2.gz XSHRLSXPTNCZFY-HNNXBMFYSA-N 2 1 292.492 3.474 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000536698866 376122935 /nfs/dbraw/zinc/12/29/35/376122935.db2.gz XSHRLSXPTNCZFY-HNNXBMFYSA-N 2 1 292.492 3.474 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000536698866 376122941 /nfs/dbraw/zinc/12/29/41/376122941.db2.gz XSHRLSXPTNCZFY-HNNXBMFYSA-N 2 1 292.492 3.474 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000536694915 376124156 /nfs/dbraw/zinc/12/41/56/376124156.db2.gz COZUOCDEAVBIBD-RDJZCZTQSA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000536694915 376124163 /nfs/dbraw/zinc/12/41/63/376124163.db2.gz COZUOCDEAVBIBD-RDJZCZTQSA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000536694915 376124171 /nfs/dbraw/zinc/12/41/71/376124171.db2.gz COZUOCDEAVBIBD-RDJZCZTQSA-N 2 1 262.441 3.006 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000537968831 376214200 /nfs/dbraw/zinc/21/42/00/376214200.db2.gz ZCBAQQZIWPDARP-DOTOQJQBSA-N 2 1 274.452 3.185 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000221781394 376221029 /nfs/dbraw/zinc/22/10/29/376221029.db2.gz VXNJGQXUNYCBFA-UHFFFAOYSA-N 2 1 254.805 3.160 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000221781394 376221035 /nfs/dbraw/zinc/22/10/35/376221035.db2.gz VXNJGQXUNYCBFA-UHFFFAOYSA-N 2 1 254.805 3.160 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000221950696 376226413 /nfs/dbraw/zinc/22/64/13/376226413.db2.gz TVFDJDOJGFGGRQ-WWGRRREGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](CC1CC1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000222570340 376238597 /nfs/dbraw/zinc/23/85/97/376238597.db2.gz ZTTYZCHUCUFYCF-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000538719930 376258727 /nfs/dbraw/zinc/25/87/27/376258727.db2.gz SMUQGSWYILNHQE-CQSZACIVSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000538719930 376258732 /nfs/dbraw/zinc/25/87/32/376258732.db2.gz SMUQGSWYILNHQE-CQSZACIVSA-N 2 1 278.465 3.228 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226324849 376351661 /nfs/dbraw/zinc/35/16/61/376351661.db2.gz HKLRRBLWERECIP-OLZOCXBDSA-N 2 1 266.816 3.462 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)cc1 ZINC000539510340 376316128 /nfs/dbraw/zinc/31/61/28/376316128.db2.gz WULZAEPNZGPHKH-LJQANCHMSA-N 2 1 286.463 3.414 20 0 CGADMP CC(C)SCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338291862 376317982 /nfs/dbraw/zinc/31/79/82/376317982.db2.gz NXIJTZQHHHJYED-CABCVRRESA-N 2 1 284.513 3.371 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000539049815 376288770 /nfs/dbraw/zinc/28/87/70/376288770.db2.gz ZDDQNKQWCIZOKQ-FUHWJXTLSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1[nH+]ccc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1Cl ZINC000540932872 376406212 /nfs/dbraw/zinc/40/62/12/376406212.db2.gz XLPUWQTWXNKUPC-OAHLLOKOSA-N 2 1 287.794 3.064 20 0 CGADMP Cc1[nH+]ccc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c1Cl ZINC000540932872 376406216 /nfs/dbraw/zinc/40/62/16/376406216.db2.gz XLPUWQTWXNKUPC-OAHLLOKOSA-N 2 1 287.794 3.064 20 0 CGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CCC[NH2+]C1 ZINC000226434846 376359586 /nfs/dbraw/zinc/35/95/86/376359586.db2.gz FBUJAJKAAZHXEB-MRXNPFEDSA-N 2 1 268.404 3.271 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000540178778 376362290 /nfs/dbraw/zinc/36/22/90/376362290.db2.gz NQVWGORUHZCVSV-DOTOQJQBSA-N 2 1 290.451 3.119 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccsc2)C1 ZINC000542102948 376506785 /nfs/dbraw/zinc/50/67/85/376506785.db2.gz VVDHAWSHHFUZSB-INIZCTEOSA-N 2 1 280.481 3.344 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000542102948 376506792 /nfs/dbraw/zinc/50/67/92/376506792.db2.gz VVDHAWSHHFUZSB-INIZCTEOSA-N 2 1 280.481 3.344 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000542102948 376506803 /nfs/dbraw/zinc/50/68/03/376506803.db2.gz VVDHAWSHHFUZSB-INIZCTEOSA-N 2 1 280.481 3.344 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000542151849 376510716 /nfs/dbraw/zinc/51/07/16/376510716.db2.gz SUFQQCIBFXRPNG-ZBFHGGJFSA-N 2 1 278.465 3.097 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000542144165 376511574 /nfs/dbraw/zinc/51/15/74/376511574.db2.gz YQJPCKIHXLSNBZ-HOTGVXAUSA-N 2 1 252.446 3.443 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000231669068 376565157 /nfs/dbraw/zinc/56/51/57/376565157.db2.gz GPKOCZYBHHZSPT-KRWDZBQOSA-N 2 1 268.404 3.414 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338780581 376530837 /nfs/dbraw/zinc/53/08/37/376530837.db2.gz ZCJKZKLNWHXJLH-WTNVTLLGSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338780581 376530843 /nfs/dbraw/zinc/53/08/43/376530843.db2.gz ZCJKZKLNWHXJLH-WTNVTLLGSA-N 2 1 272.436 3.251 20 0 CGADMP CC[C@H]1CCC[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000542464782 376545716 /nfs/dbraw/zinc/54/57/16/376545716.db2.gz JPMDGHXJNLFIAL-RDJZCZTQSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915274 376591949 /nfs/dbraw/zinc/59/19/49/376591949.db2.gz XNSCHELTRCKVSR-PWIZWCRZSA-N 2 1 298.474 3.208 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915274 376591958 /nfs/dbraw/zinc/59/19/58/376591958.db2.gz XNSCHELTRCKVSR-PWIZWCRZSA-N 2 1 298.474 3.208 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915274 376591966 /nfs/dbraw/zinc/59/19/66/376591966.db2.gz XNSCHELTRCKVSR-PWIZWCRZSA-N 2 1 298.474 3.208 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000135612328 542088770 /nfs/dbraw/zinc/08/87/70/542088770.db2.gz UJDHJOHMKAGDPG-USXIJHARSA-N 2 1 260.425 3.110 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC000339426122 376754005 /nfs/dbraw/zinc/75/40/05/376754005.db2.gz KNSPAFXPCHECJO-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC000339426122 376754008 /nfs/dbraw/zinc/75/40/08/376754008.db2.gz KNSPAFXPCHECJO-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC000339426122 376754012 /nfs/dbraw/zinc/75/40/12/376754012.db2.gz KNSPAFXPCHECJO-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1(C)C ZINC000545420633 376821622 /nfs/dbraw/zinc/82/16/22/376821622.db2.gz PXNNBZWYWFRPRL-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000545420633 376821628 /nfs/dbraw/zinc/82/16/28/376821628.db2.gz PXNNBZWYWFRPRL-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000545420633 376821636 /nfs/dbraw/zinc/82/16/36/376821636.db2.gz PXNNBZWYWFRPRL-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245741603 376898407 /nfs/dbraw/zinc/89/84/07/376898407.db2.gz XITCONNGJNIAKC-KBAYOESNSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245741603 376898419 /nfs/dbraw/zinc/89/84/19/376898419.db2.gz XITCONNGJNIAKC-KBAYOESNSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245741603 376898428 /nfs/dbraw/zinc/89/84/28/376898428.db2.gz XITCONNGJNIAKC-KBAYOESNSA-N 2 1 272.436 3.349 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245581987 376860636 /nfs/dbraw/zinc/86/06/36/376860636.db2.gz CWAAXDZAPJUOHP-JKSUJKDBSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245581987 376860642 /nfs/dbraw/zinc/86/06/42/376860642.db2.gz CWAAXDZAPJUOHP-JKSUJKDBSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245622123 376869723 /nfs/dbraw/zinc/86/97/23/376869723.db2.gz OBWJSLZCSIEFBN-CVEARBPZSA-N 2 1 293.480 3.332 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245622123 376869733 /nfs/dbraw/zinc/86/97/33/376869733.db2.gz OBWJSLZCSIEFBN-CVEARBPZSA-N 2 1 293.480 3.332 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000245714670 376890512 /nfs/dbraw/zinc/89/05/12/376890512.db2.gz CSCSQQFNORLHSH-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000245714670 376890514 /nfs/dbraw/zinc/89/05/14/376890514.db2.gz CSCSQQFNORLHSH-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000245714670 376890519 /nfs/dbraw/zinc/89/05/19/376890519.db2.gz CSCSQQFNORLHSH-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245841014 376916391 /nfs/dbraw/zinc/91/63/91/376916391.db2.gz JWDSZMBANOHWTA-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000246063003 376960442 /nfs/dbraw/zinc/96/04/42/376960442.db2.gz YQCGIJYPGRKMEP-UXLLHSPISA-N 2 1 275.440 3.385 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000246109557 376969313 /nfs/dbraw/zinc/96/93/13/376969313.db2.gz JRYITTNDQUJVSA-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP COc1ccc([C@@H](C)C[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000558494047 377013902 /nfs/dbraw/zinc/01/39/02/377013902.db2.gz URKZJKPSYNULJT-GJZGRUSLSA-N 2 1 278.440 3.117 20 0 CGADMP COc1ccc([C@@H](C)C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000558494047 377013909 /nfs/dbraw/zinc/01/39/09/377013909.db2.gz URKZJKPSYNULJT-GJZGRUSLSA-N 2 1 278.440 3.117 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000558226700 376985257 /nfs/dbraw/zinc/98/52/57/376985257.db2.gz QXAKSVSGPIYWEW-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246232788 376994046 /nfs/dbraw/zinc/99/40/46/376994046.db2.gz STFFCOBXEMUUEK-CABCVRRESA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246232788 376994052 /nfs/dbraw/zinc/99/40/52/376994052.db2.gz STFFCOBXEMUUEK-CABCVRRESA-N 2 1 276.399 3.304 20 0 CGADMP Cc1ccncc1CCC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000558401408 377002633 /nfs/dbraw/zinc/00/26/33/377002633.db2.gz LYJPZXRBLMUFIL-QGZVFWFLSA-N 2 1 298.430 3.206 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3C)CC2)[C@@H](C)C1 ZINC000246892732 377114785 /nfs/dbraw/zinc/11/47/85/377114785.db2.gz DULSMDONJXPCEH-WMZOPIPTSA-N 2 1 286.463 3.347 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000560058374 377116500 /nfs/dbraw/zinc/11/65/00/377116500.db2.gz SRTYSDJBCRPJSI-WMLDXEAASA-N 2 1 281.403 3.060 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246588434 377057679 /nfs/dbraw/zinc/05/76/79/377057679.db2.gz GNGIABGOVHFIFT-WBMJQRKESA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246588434 377057684 /nfs/dbraw/zinc/05/76/84/377057684.db2.gz GNGIABGOVHFIFT-WBMJQRKESA-N 2 1 278.827 3.211 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246949694 377124646 /nfs/dbraw/zinc/12/46/46/377124646.db2.gz IHIAKNURWLEZBI-RDJZCZTQSA-N 2 1 274.452 3.345 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000340502388 377107081 /nfs/dbraw/zinc/10/70/81/377107081.db2.gz SSXCQMKPBNBIBT-BDXSIMOUSA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000247055716 377150403 /nfs/dbraw/zinc/15/04/03/377150403.db2.gz NMCBJTAUTVLGNO-QAPCUYQASA-N 2 1 290.451 3.041 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000247093387 377158595 /nfs/dbraw/zinc/15/85/95/377158595.db2.gz PMZADYJEYJXCLW-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000560514061 377161901 /nfs/dbraw/zinc/16/19/01/377161901.db2.gz CPCVENUBKIXCQA-BZSNNMDCSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOC(C)(C)C)C1 ZINC000247123525 377164887 /nfs/dbraw/zinc/16/48/87/377164887.db2.gz YZWWJFWRVZUDOO-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOC(C)(C)C)C1 ZINC000247123525 377164893 /nfs/dbraw/zinc/16/48/93/377164893.db2.gz YZWWJFWRVZUDOO-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000247123525 377164899 /nfs/dbraw/zinc/16/48/99/377164899.db2.gz YZWWJFWRVZUDOO-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000247123525 377164903 /nfs/dbraw/zinc/16/49/03/377164903.db2.gz YZWWJFWRVZUDOO-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000247137822 377167091 /nfs/dbraw/zinc/16/70/91/377167091.db2.gz SDETUGKIFQRKBZ-JKSUJKDBSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000247137822 377167095 /nfs/dbraw/zinc/16/70/95/377167095.db2.gz SDETUGKIFQRKBZ-JKSUJKDBSA-N 2 1 290.451 3.041 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@@H]2CCC[C@H]21 ZINC000560546368 377167985 /nfs/dbraw/zinc/16/79/85/377167985.db2.gz QXLBKSMBPZFPSJ-GXUNQHPWSA-N 2 1 296.458 3.035 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247190004 377173950 /nfs/dbraw/zinc/17/39/50/377173950.db2.gz ZXXVDECGKNBSMX-XJKSGUPXSA-N 2 1 296.842 3.039 20 0 CGADMP CC1CCC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000247271342 377187843 /nfs/dbraw/zinc/18/78/43/377187843.db2.gz YBXQOMJAEQWDLG-GQGLESIBSA-N 2 1 264.457 3.229 20 0 CGADMP CC1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000247271342 377187847 /nfs/dbraw/zinc/18/78/47/377187847.db2.gz YBXQOMJAEQWDLG-GQGLESIBSA-N 2 1 264.457 3.229 20 0 CGADMP CC1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000247271342 377187855 /nfs/dbraw/zinc/18/78/55/377187855.db2.gz YBXQOMJAEQWDLG-GQGLESIBSA-N 2 1 264.457 3.229 20 0 CGADMP CCOc1ccc(C[N@H+](CC)CCC[NH+]2CCCC2)cc1 ZINC000340687923 377217440 /nfs/dbraw/zinc/21/74/40/377217440.db2.gz XQKPDFVOPDSZMF-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)CCC[NH+]2CCCC2)cc1 ZINC000340687923 377217447 /nfs/dbraw/zinc/21/74/47/377217447.db2.gz XQKPDFVOPDSZMF-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSc3ccccc3)CC[C@H]21 ZINC000247886594 377244523 /nfs/dbraw/zinc/24/45/23/377244523.db2.gz DHCAHSVGFRNDTL-NVXWUHKLSA-N 2 1 290.476 3.195 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSc3ccccc3)CC[C@H]21 ZINC000247886594 377244529 /nfs/dbraw/zinc/24/45/29/377244529.db2.gz DHCAHSVGFRNDTL-NVXWUHKLSA-N 2 1 290.476 3.195 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSc3ccccc3)CC[C@H]21 ZINC000247886594 377244533 /nfs/dbraw/zinc/24/45/33/377244533.db2.gz DHCAHSVGFRNDTL-NVXWUHKLSA-N 2 1 290.476 3.195 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247937610 377245679 /nfs/dbraw/zinc/24/56/79/377245679.db2.gz CQZJSNHRYYNENS-QBYUYEEZSA-N 2 1 260.425 3.251 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247937610 377245686 /nfs/dbraw/zinc/24/56/86/377245686.db2.gz CQZJSNHRYYNENS-QBYUYEEZSA-N 2 1 260.425 3.251 20 0 CGADMP C[C@H](c1c(F)cccc1F)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247936599 377245908 /nfs/dbraw/zinc/24/59/08/377245908.db2.gz COIMPLCDQYZPQV-IOASZLSFSA-N 2 1 294.389 3.442 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)[C@@H](C)C1 ZINC000248125236 377269379 /nfs/dbraw/zinc/26/93/79/377269379.db2.gz NVWFNWPBEVIMGK-LUKYLMHMSA-N 2 1 296.499 3.148 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC000247987174 377253005 /nfs/dbraw/zinc/25/30/05/377253005.db2.gz IYKJBAFAYYXXSS-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000248038007 377261317 /nfs/dbraw/zinc/26/13/17/377261317.db2.gz SBUXWDPIUFTGNO-HZPDHXFCSA-N 2 1 292.471 3.379 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000248038007 377261320 /nfs/dbraw/zinc/26/13/20/377261320.db2.gz SBUXWDPIUFTGNO-HZPDHXFCSA-N 2 1 292.471 3.379 20 0 CGADMP CC(C)c1cnc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000248493591 377330414 /nfs/dbraw/zinc/33/04/14/377330414.db2.gz PHLWVRKZUXRAHK-UONOGXRCSA-N 2 1 293.480 3.183 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000248181490 377276350 /nfs/dbraw/zinc/27/63/50/377276350.db2.gz WNFBBUMPZNBQTP-HOCLYGCPSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)s1 ZINC000248181490 377276360 /nfs/dbraw/zinc/27/63/60/377276360.db2.gz WNFBBUMPZNBQTP-HOCLYGCPSA-N 2 1 278.465 3.281 20 0 CGADMP CC(C)c1nc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000248177223 377277113 /nfs/dbraw/zinc/27/71/13/377277113.db2.gz VTXWIVXOJMDMKM-DZGCQCFKSA-N 2 1 293.480 3.183 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc2ccccc21 ZINC000563349037 377446534 /nfs/dbraw/zinc/44/65/34/377446534.db2.gz NQJNIXPDKZQCJT-GDBMZVCRSA-N 2 1 284.403 3.030 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000249038628 377448577 /nfs/dbraw/zinc/44/85/77/377448577.db2.gz CSMMKGKGCZODFK-MWDXBVQZSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249038628 377448583 /nfs/dbraw/zinc/44/85/83/377448583.db2.gz CSMMKGKGCZODFK-MWDXBVQZSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249038628 377448586 /nfs/dbraw/zinc/44/85/86/377448586.db2.gz CSMMKGKGCZODFK-MWDXBVQZSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249038628 377448594 /nfs/dbraw/zinc/44/85/94/377448594.db2.gz CSMMKGKGCZODFK-MWDXBVQZSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249038628 377448597 /nfs/dbraw/zinc/44/85/97/377448597.db2.gz CSMMKGKGCZODFK-MWDXBVQZSA-N 2 1 264.457 3.393 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563119676 377402547 /nfs/dbraw/zinc/40/25/47/377402547.db2.gz DCUCQXLBVWFUGP-MRXNPFEDSA-N 2 1 276.399 3.133 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563119676 377402552 /nfs/dbraw/zinc/40/25/52/377402552.db2.gz DCUCQXLBVWFUGP-MRXNPFEDSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000563135945 377407306 /nfs/dbraw/zinc/40/73/06/377407306.db2.gz WACYLNGQJVOUTA-YUMQZZPRSA-N 2 1 279.186 3.348 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000249371238 377494716 /nfs/dbraw/zinc/49/47/16/377494716.db2.gz BVKBRCKFCWOLQC-ZFWWWQNUSA-N 2 1 276.449 3.155 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000249380367 377496361 /nfs/dbraw/zinc/49/63/61/377496361.db2.gz QEFLFZLNDXKJLO-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000249378454 377497193 /nfs/dbraw/zinc/49/71/93/377497193.db2.gz NXEGCARUFVFBSK-NEPJUHHUSA-N 2 1 284.806 3.472 20 0 CGADMP CC(C)CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000085400577 249014464 /nfs/dbraw/zinc/01/44/64/249014464.db2.gz RMYWCOAMDHNTRY-SJORKVTESA-N 2 1 294.483 3.043 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000086675279 249018197 /nfs/dbraw/zinc/01/81/97/249018197.db2.gz KDUUBJXOYSIOLG-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093463501 249038232 /nfs/dbraw/zinc/03/82/32/249038232.db2.gz ZNXGCJXTKVHZPM-KFWWJZLASA-N 2 1 276.424 3.185 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCCC1 ZINC000313402842 249090709 /nfs/dbraw/zinc/09/07/09/249090709.db2.gz WOURSTKKZLHZRX-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000250151461 377554126 /nfs/dbraw/zinc/55/41/26/377554126.db2.gz XTCPCHMAHPULNG-ZFWWWQNUSA-N 2 1 276.449 3.155 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339188364 249102046 /nfs/dbraw/zinc/10/20/46/249102046.db2.gz GGRXDDYEQMVCRX-CVEARBPZSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339188364 249102050 /nfs/dbraw/zinc/10/20/50/249102050.db2.gz GGRXDDYEQMVCRX-CVEARBPZSA-N 2 1 278.827 3.365 20 0 CGADMP CC[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459571548 249157415 /nfs/dbraw/zinc/15/74/15/249157415.db2.gz GOJITQBSOBRMIC-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000469858118 249160335 /nfs/dbraw/zinc/16/03/35/249160335.db2.gz BFJWRIVUJPHFRW-BHYGNILZSA-N 2 1 260.425 3.239 20 0 CGADMP CCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000428286707 249132583 /nfs/dbraw/zinc/13/25/83/249132583.db2.gz LDJLSNFRNQHBRC-UHFFFAOYSA-N 2 1 271.408 3.494 20 0 CGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000428286707 249132586 /nfs/dbraw/zinc/13/25/86/249132586.db2.gz LDJLSNFRNQHBRC-UHFFFAOYSA-N 2 1 271.408 3.494 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000250453996 377560148 /nfs/dbraw/zinc/56/01/48/377560148.db2.gz ZWTMROSYOTZODY-VXGBXAGGSA-N 2 1 284.806 3.472 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCCC(C)C)cc2)C1 ZINC000470011312 249166209 /nfs/dbraw/zinc/16/62/09/249166209.db2.gz JBFNIMURJGCJNF-QGZVFWFLSA-N 2 1 290.451 3.153 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCCC(C)C)cc2)C1 ZINC000470011312 249166211 /nfs/dbraw/zinc/16/62/11/249166211.db2.gz JBFNIMURJGCJNF-QGZVFWFLSA-N 2 1 290.451 3.153 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000472470242 249167785 /nfs/dbraw/zinc/16/77/85/249167785.db2.gz MMKBTCQAKLBXHS-LJQANCHMSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472470242 249167787 /nfs/dbraw/zinc/16/77/87/249167787.db2.gz MMKBTCQAKLBXHS-LJQANCHMSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472470242 249167789 /nfs/dbraw/zinc/16/77/89/249167789.db2.gz MMKBTCQAKLBXHS-LJQANCHMSA-N 2 1 286.463 3.201 20 0 CGADMP C(C[N@H+]1CCC[C@H]1C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000250896659 377569639 /nfs/dbraw/zinc/56/96/39/377569639.db2.gz ABKSIJKACBKIQV-ZBFHGGJFSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251052530 377572771 /nfs/dbraw/zinc/57/27/71/377572771.db2.gz FJSCTWOSULVFLI-XIRDDKMYSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251152458 377574134 /nfs/dbraw/zinc/57/41/34/377574134.db2.gz AXBRFLXKXQCVOO-NXHRZFHOSA-N 2 1 272.436 3.397 20 0 CGADMP CC1=CC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000514709639 249186858 /nfs/dbraw/zinc/18/68/58/249186858.db2.gz BXQIJPDUBRYXMK-OAHLLOKOSA-N 2 1 250.430 3.339 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2Cl)CC[N@H+]1C ZINC000518357782 249278881 /nfs/dbraw/zinc/27/88/81/249278881.db2.gz BZOXJEBJBQZVOO-STQMWFEESA-N 2 1 298.833 3.484 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000252112671 377614997 /nfs/dbraw/zinc/61/49/97/377614997.db2.gz JTWLKOHHJOLUCX-OIISXLGYSA-N 2 1 260.425 3.456 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000252112671 377615002 /nfs/dbraw/zinc/61/50/02/377615002.db2.gz JTWLKOHHJOLUCX-OIISXLGYSA-N 2 1 260.425 3.456 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252119609 377615254 /nfs/dbraw/zinc/61/52/54/377615254.db2.gz JDBUIVCPKFNFLJ-JKJDWNRSSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252756705 377662527 /nfs/dbraw/zinc/66/25/27/377662527.db2.gz DSYQDHAENROTIW-HOSYDEDBSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252756705 377662538 /nfs/dbraw/zinc/66/25/38/377662538.db2.gz DSYQDHAENROTIW-HOSYDEDBSA-N 2 1 270.779 3.209 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2(C)CCC2)CC1 ZINC000574708478 377698850 /nfs/dbraw/zinc/69/88/50/377698850.db2.gz JXYFFAJKQLJHFF-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@H]2CCC[C@@H]21 ZINC000574506589 377672090 /nfs/dbraw/zinc/67/20/90/377672090.db2.gz OGLBFCVGLGOFIE-PVAVHDDUSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000574545134 377679281 /nfs/dbraw/zinc/67/92/81/377679281.db2.gz GACNJADCGGPUAE-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C1CCCCC1 ZINC000574545134 377679290 /nfs/dbraw/zinc/67/92/90/377679290.db2.gz GACNJADCGGPUAE-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C1CCCCC1 ZINC000574545134 377679294 /nfs/dbraw/zinc/67/92/94/377679294.db2.gz GACNJADCGGPUAE-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000253354943 377685192 /nfs/dbraw/zinc/68/51/92/377685192.db2.gz QZHWYRUGLZYWJW-JOCBIADPSA-N 2 1 290.451 3.083 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342699820 377743373 /nfs/dbraw/zinc/74/33/73/377743373.db2.gz PXKWXEPTDRQUDR-DLBZAZTESA-N 2 1 299.418 3.027 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC3(C)C)CC2)[nH+]1 ZINC000342714540 377751846 /nfs/dbraw/zinc/75/18/46/377751846.db2.gz VYIVSEUTBIOZDK-HNNXBMFYSA-N 2 1 273.424 3.137 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000259124617 377804765 /nfs/dbraw/zinc/80/47/65/377804765.db2.gz WDZVHABUYOPARR-OAHLLOKOSA-N 2 1 260.425 3.241 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261554088 377816846 /nfs/dbraw/zinc/81/68/46/377816846.db2.gz ARGMAUSWASQUSU-HNNXBMFYSA-N 2 1 266.454 3.216 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000261570900 377818058 /nfs/dbraw/zinc/81/80/58/377818058.db2.gz PSRCWPGJXGSCDW-RDJZCZTQSA-N 2 1 260.425 3.459 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858567 377839357 /nfs/dbraw/zinc/83/93/57/377839357.db2.gz AVYGQUWULUDNAT-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342858567 377839363 /nfs/dbraw/zinc/83/93/63/377839363.db2.gz AVYGQUWULUDNAT-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000261888357 377863346 /nfs/dbraw/zinc/86/33/46/377863346.db2.gz SJEIEDVSYRVXPX-BBRMVZONSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261962716 377872814 /nfs/dbraw/zinc/87/28/14/377872814.db2.gz HLQWEZBAMMRTMM-ROUUACIJSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262028307 377880024 /nfs/dbraw/zinc/88/00/24/377880024.db2.gz NSNBRVBRSHTTGY-NUJGCVRESA-N 2 1 272.436 3.172 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c2ccccc12 ZINC000262324961 377893328 /nfs/dbraw/zinc/89/33/28/377893328.db2.gz RNRYCAIXAKKRFO-CABCVRRESA-N 2 1 298.430 3.408 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261714606 377845592 /nfs/dbraw/zinc/84/55/92/377845592.db2.gz FAWGBOBDWASKNQ-IRXDYDNUSA-N 2 1 258.409 3.132 20 0 CGADMP c1ccc(Oc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000262418266 377897336 /nfs/dbraw/zinc/89/73/36/377897336.db2.gz DTUBLDYQGPKEMH-CALCHBBNSA-N 2 1 294.398 3.130 20 0 CGADMP c1ccc(Oc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000262418266 377897345 /nfs/dbraw/zinc/89/73/45/377897345.db2.gz DTUBLDYQGPKEMH-CALCHBBNSA-N 2 1 294.398 3.130 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000343102243 377903494 /nfs/dbraw/zinc/90/34/94/377903494.db2.gz GSBDMEAPDPVTNJ-YVEFUNNKSA-N 2 1 290.838 3.401 20 0 CGADMP COc1ccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000575411479 377906656 /nfs/dbraw/zinc/90/66/56/377906656.db2.gz OGOIVMCNIUDMFN-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC000575411479 377906660 /nfs/dbraw/zinc/90/66/60/377906660.db2.gz OGOIVMCNIUDMFN-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000575411479 377906665 /nfs/dbraw/zinc/90/66/65/377906665.db2.gz OGOIVMCNIUDMFN-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000343122260 377907302 /nfs/dbraw/zinc/90/73/02/377907302.db2.gz TYLJAJIUTDVUBZ-DJSGYFEHSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000343122260 377907308 /nfs/dbraw/zinc/90/73/08/377907308.db2.gz TYLJAJIUTDVUBZ-DJSGYFEHSA-N 2 1 278.827 3.400 20 0 CGADMP CCC[C@@]1(C)CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000578451034 378071826 /nfs/dbraw/zinc/07/18/26/378071826.db2.gz SBFQRAHCIUIQGL-INIZCTEOSA-N 2 1 263.429 3.255 20 0 CGADMP CCC[C@@]1(C)CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000578451034 378071828 /nfs/dbraw/zinc/07/18/28/378071828.db2.gz SBFQRAHCIUIQGL-INIZCTEOSA-N 2 1 263.429 3.255 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000578470734 378072758 /nfs/dbraw/zinc/07/27/58/378072758.db2.gz QTXKQWFFVGIYRL-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000578470734 378072763 /nfs/dbraw/zinc/07/27/63/378072763.db2.gz QTXKQWFFVGIYRL-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@H](C)CCCC[NH3+] ZINC000577870736 378019769 /nfs/dbraw/zinc/01/97/69/378019769.db2.gz QOJZBRAGYSKPEP-CYBMUJFWSA-N 2 1 257.381 3.473 20 0 CGADMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000268805992 378116144 /nfs/dbraw/zinc/11/61/44/378116144.db2.gz KSVKNPUGHJIUQH-INIZCTEOSA-N 2 1 257.381 3.323 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268909527 378150240 /nfs/dbraw/zinc/15/02/40/378150240.db2.gz QQNVLORQPJWKHS-CQSZACIVSA-N 2 1 299.418 3.353 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000344011551 378152223 /nfs/dbraw/zinc/15/22/23/378152223.db2.gz DSVMXJQVZRRLNH-HOTGVXAUSA-N 2 1 294.487 3.105 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000344011551 378152230 /nfs/dbraw/zinc/15/22/30/378152230.db2.gz DSVMXJQVZRRLNH-HOTGVXAUSA-N 2 1 294.487 3.105 20 0 CGADMP COc1cccc2c1CC[C@H]2NCCC[N@@H+](C)C(C)C ZINC000268767267 378105718 /nfs/dbraw/zinc/10/57/18/378105718.db2.gz OFWVHRNHIDRPMW-MRXNPFEDSA-N 2 1 276.424 3.002 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000268767267 378105721 /nfs/dbraw/zinc/10/57/21/378105721.db2.gz OFWVHRNHIDRPMW-MRXNPFEDSA-N 2 1 276.424 3.002 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000268767267 378105725 /nfs/dbraw/zinc/10/57/25/378105725.db2.gz OFWVHRNHIDRPMW-MRXNPFEDSA-N 2 1 276.424 3.002 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3cccnc32)C1 ZINC000269135548 378192173 /nfs/dbraw/zinc/19/21/73/378192173.db2.gz RFBWBJDIRAGWAA-WMZOPIPTSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000269135548 378192177 /nfs/dbraw/zinc/19/21/77/378192177.db2.gz RFBWBJDIRAGWAA-WMZOPIPTSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000269135548 378192182 /nfs/dbraw/zinc/19/21/82/378192182.db2.gz RFBWBJDIRAGWAA-WMZOPIPTSA-N 2 1 295.430 3.151 20 0 CGADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3ccccc32)C[C@H]1C ZINC000345159251 378208273 /nfs/dbraw/zinc/20/82/73/378208273.db2.gz GMATUZUTTGAFJQ-ZIAGYGMSSA-N 2 1 269.392 3.154 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccoc1 ZINC000580024520 378217368 /nfs/dbraw/zinc/21/73/68/378217368.db2.gz UWMHDHDOMBMYPE-CYBMUJFWSA-N 2 1 250.386 3.052 20 0 CGADMP CC[N@@H+](CCCc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000345193581 378220223 /nfs/dbraw/zinc/22/02/23/378220223.db2.gz WLLDVNIRYGSPJF-KRWDZBQOSA-N 2 1 278.415 3.222 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000268995814 378168972 /nfs/dbraw/zinc/16/89/72/378168972.db2.gz KNXOGLZMNOZDEU-ZIAGYGMSSA-N 2 1 271.408 3.226 20 0 CGADMP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269045365 378180214 /nfs/dbraw/zinc/18/02/14/378180214.db2.gz UUUUGPPYMDSLPS-GOSISDBHSA-N 2 1 288.410 3.420 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC1Cc2ccccc2C1 ZINC000580264494 378235879 /nfs/dbraw/zinc/23/58/79/378235879.db2.gz AMAGHQSPQILPBA-HOTGVXAUSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC1Cc2ccccc2C1 ZINC000580264494 378235882 /nfs/dbraw/zinc/23/58/82/378235882.db2.gz AMAGHQSPQILPBA-HOTGVXAUSA-N 2 1 286.463 3.111 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2cccc(F)c2)C1 ZINC000580766593 378256320 /nfs/dbraw/zinc/25/63/20/378256320.db2.gz MAYBTOHTMBYDOV-NVXWUHKLSA-N 2 1 292.442 3.467 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)CCc1ccccc1 ZINC000270654650 378382206 /nfs/dbraw/zinc/38/22/06/378382206.db2.gz PHPOKRMZDUTVMX-UHFFFAOYSA-N 2 1 271.408 3.146 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)CCc1ccccc1 ZINC000270654650 378382209 /nfs/dbraw/zinc/38/22/09/378382209.db2.gz PHPOKRMZDUTVMX-UHFFFAOYSA-N 2 1 271.408 3.146 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000271128237 378457364 /nfs/dbraw/zinc/45/73/64/378457364.db2.gz OEWTYSFOOJQDEU-UHFFFAOYSA-N 2 1 285.435 3.474 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000346081637 378458059 /nfs/dbraw/zinc/45/80/59/378458059.db2.gz DPBSNIXPERXGCA-KRWDZBQOSA-N 2 1 268.404 3.196 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000346081637 378458061 /nfs/dbraw/zinc/45/80/61/378458061.db2.gz DPBSNIXPERXGCA-KRWDZBQOSA-N 2 1 268.404 3.196 20 0 CGADMP CCC[C@@H](C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346150902 378481252 /nfs/dbraw/zinc/48/12/52/378481252.db2.gz NPYKXVSUGXZBLS-CYBMUJFWSA-N 2 1 272.396 3.196 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000346167442 378487574 /nfs/dbraw/zinc/48/75/74/378487574.db2.gz KKNKNGVXZMSBMB-LSDHHAIUSA-N 2 1 298.434 3.444 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000272055832 378554447 /nfs/dbraw/zinc/55/44/47/378554447.db2.gz SLZKYZMLWFXUDH-YJBOKZPZSA-N 2 1 289.467 3.199 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC[C@H]2CCO2)C1 ZINC000637978348 378656193 /nfs/dbraw/zinc/65/61/93/378656193.db2.gz NUTTWYUVQPEOSU-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC[C@H]2CCO2)C1 ZINC000637978348 378656202 /nfs/dbraw/zinc/65/62/02/378656202.db2.gz NUTTWYUVQPEOSU-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000637978348 378656209 /nfs/dbraw/zinc/65/62/09/378656209.db2.gz NUTTWYUVQPEOSU-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP CSCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272535362 378660051 /nfs/dbraw/zinc/66/00/51/378660051.db2.gz REHWSHCWIVCLBH-WBVHZDCISA-N 2 1 292.492 3.240 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)CC(C)(C)C[NH3+] ZINC000346685907 378674517 /nfs/dbraw/zinc/67/45/17/378674517.db2.gz QUSNNMCRPZAFEX-UHFFFAOYSA-N 2 1 283.419 3.165 20 0 CGADMP c1ccc(SC[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346975593 378702377 /nfs/dbraw/zinc/70/23/77/378702377.db2.gz JLXZTLCDIAKUBQ-HZPDHXFCSA-N 2 1 290.476 3.100 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cccc2OC)C1 ZINC000638127025 378710640 /nfs/dbraw/zinc/71/06/40/378710640.db2.gz GBRNDBJKBHHIIF-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cccc2OC)C1 ZINC000638127025 378710648 /nfs/dbraw/zinc/71/06/48/378710648.db2.gz GBRNDBJKBHHIIF-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cccc2OC)C1 ZINC000638127025 378710655 /nfs/dbraw/zinc/71/06/55/378710655.db2.gz GBRNDBJKBHHIIF-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2OC)C1 ZINC000638127025 378710661 /nfs/dbraw/zinc/71/06/61/378710661.db2.gz GBRNDBJKBHHIIF-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070227 378776141 /nfs/dbraw/zinc/77/61/41/378776141.db2.gz IRQKKVZLXMBCDP-IRXDYDNUSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070227 378776150 /nfs/dbraw/zinc/77/61/50/378776150.db2.gz IRQKKVZLXMBCDP-IRXDYDNUSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070227 378776159 /nfs/dbraw/zinc/77/61/59/378776159.db2.gz IRQKKVZLXMBCDP-IRXDYDNUSA-N 2 1 276.399 3.447 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CC1(F)F ZINC000638367006 378781131 /nfs/dbraw/zinc/78/11/31/378781131.db2.gz RMBXBHPZKLELTF-RDBSUJKOSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1ccccc1 ZINC000348079436 378781175 /nfs/dbraw/zinc/78/11/75/378781175.db2.gz LFEBANGOYTYGMI-UHFFFAOYSA-N 2 1 271.408 3.497 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(COC)CCC2)c1 ZINC000638563350 378835418 /nfs/dbraw/zinc/83/54/18/378835418.db2.gz LMADLUYXOFELAS-UHFFFAOYSA-N 2 1 290.451 3.045 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2CCSCC2)c1 ZINC000638562404 378835564 /nfs/dbraw/zinc/83/55/64/378835564.db2.gz DCWSGGOINMGMRC-UHFFFAOYSA-N 2 1 292.492 3.371 20 0 CGADMP C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348174054 378822614 /nfs/dbraw/zinc/82/26/14/378822614.db2.gz OMLVXDRTOVBBHV-QHRXKSQHSA-N 2 1 299.418 3.158 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346833854 218029001 /nfs/dbraw/zinc/02/90/01/218029001.db2.gz MRVALYQGEBMEDZ-KRWDZBQOSA-N 2 1 260.425 3.144 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348238773 378856701 /nfs/dbraw/zinc/85/67/01/378856701.db2.gz FUOGSWARXTZDBX-JLSDUUJJSA-N 2 1 283.419 3.221 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346854247 218038019 /nfs/dbraw/zinc/03/80/19/218038019.db2.gz TZPLKYALOWVBHL-VBNZEHGJSA-N 2 1 278.827 3.126 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000274615905 378861624 /nfs/dbraw/zinc/86/16/24/378861624.db2.gz VCTRHNZLUVEUOO-LLVKDONJSA-N 2 1 279.409 3.003 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC2CCOCC2)c1 ZINC000638563893 378837212 /nfs/dbraw/zinc/83/72/12/378837212.db2.gz SPZQOVDKJHEXRZ-UHFFFAOYSA-N 2 1 290.451 3.045 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000348302435 378895397 /nfs/dbraw/zinc/89/53/97/378895397.db2.gz NKGCHKIODHDRDM-DOTOQJQBSA-N 2 1 293.430 3.211 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C1CC[NH2+]CC1 ZINC000347006366 218089808 /nfs/dbraw/zinc/08/98/08/218089808.db2.gz PYVMXHFZXBLSDU-UHFFFAOYSA-N 2 1 290.451 3.276 20 0 CGADMP F[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000348342323 378918605 /nfs/dbraw/zinc/91/86/05/378918605.db2.gz ZHBRZGBUHNLEPA-DOTOQJQBSA-N 2 1 276.399 3.131 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc2cccnc12 ZINC000347031615 218098084 /nfs/dbraw/zinc/09/80/84/218098084.db2.gz AFRSCQYAQFBOFM-WMLDXEAASA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc2cccnc12 ZINC000347031615 218098087 /nfs/dbraw/zinc/09/80/87/218098087.db2.gz AFRSCQYAQFBOFM-WMLDXEAASA-N 2 1 283.419 3.245 20 0 CGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000347040224 218102114 /nfs/dbraw/zinc/10/21/14/218102114.db2.gz HUUZSHBNEQWRCL-ZDUSSCGKSA-N 2 1 290.407 3.335 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000347040224 218102116 /nfs/dbraw/zinc/10/21/16/218102116.db2.gz HUUZSHBNEQWRCL-ZDUSSCGKSA-N 2 1 290.407 3.335 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348532705 378980050 /nfs/dbraw/zinc/98/00/50/378980050.db2.gz IEUCCKCKGLPPOY-IYOUNJFTSA-N 2 1 299.418 3.124 20 0 CGADMP Cc1cc2cc(C[N@@H+](C)C3CC[NH2+]CC3)oc2cc1C ZINC000347093017 218119798 /nfs/dbraw/zinc/11/97/98/218119798.db2.gz GMOBBCSATRAIGS-UHFFFAOYSA-N 2 1 272.392 3.233 20 0 CGADMP Cc1cc2cc(C[N@H+](C)C3CC[NH2+]CC3)oc2cc1C ZINC000347093017 218119799 /nfs/dbraw/zinc/11/97/99/218119799.db2.gz GMOBBCSATRAIGS-UHFFFAOYSA-N 2 1 272.392 3.233 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000278584386 194055224 /nfs/dbraw/zinc/05/52/24/194055224.db2.gz QEUIAFDRUDMISM-DZGCQCFKSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000278584386 194055226 /nfs/dbraw/zinc/05/52/26/194055226.db2.gz QEUIAFDRUDMISM-DZGCQCFKSA-N 2 1 296.480 3.208 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000639170054 379088658 /nfs/dbraw/zinc/08/86/58/379088658.db2.gz OYJONTJBVHQPNH-INIZCTEOSA-N 2 1 290.451 3.164 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCSC1 ZINC000289467643 197361662 /nfs/dbraw/zinc/36/16/62/197361662.db2.gz PCEXEGDJWRNRKQ-KRWDZBQOSA-N 2 1 292.492 3.323 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(SC)CC1 ZINC000349127433 379163070 /nfs/dbraw/zinc/16/30/70/379163070.db2.gz IDHMKNYMWBGHKC-UHFFFAOYSA-N 2 1 281.469 3.053 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(SC)CC1 ZINC000349127433 379163083 /nfs/dbraw/zinc/16/30/83/379163083.db2.gz IDHMKNYMWBGHKC-UHFFFAOYSA-N 2 1 281.469 3.053 20 0 CGADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277601292 379197434 /nfs/dbraw/zinc/19/74/34/379197434.db2.gz VRCMSCTXNXLBKO-DOTOQJQBSA-N 2 1 290.451 3.215 20 0 CGADMP CCOc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373466878 379281639 /nfs/dbraw/zinc/28/16/39/379281639.db2.gz DXYHCKMPPROZCQ-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000639360361 379319048 /nfs/dbraw/zinc/31/90/48/379319048.db2.gz WADMSYDJNCGLRD-JOCBIADPSA-N 2 1 272.436 3.000 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccsc2C)CC1 ZINC000639379610 379340063 /nfs/dbraw/zinc/34/00/63/379340063.db2.gz ZLBHTPMJIMPLBU-UHFFFAOYSA-N 2 1 266.454 3.363 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000278334568 379353089 /nfs/dbraw/zinc/35/30/89/379353089.db2.gz WTLCMWWUTRJIEC-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000278334568 379353095 /nfs/dbraw/zinc/35/30/95/379353095.db2.gz WTLCMWWUTRJIEC-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CCCc3sccc31)C2 ZINC000279014137 379409098 /nfs/dbraw/zinc/40/90/98/379409098.db2.gz UADZIUGIOBKOMX-OCCSQVGLSA-N 2 1 287.432 3.174 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534010 379457394 /nfs/dbraw/zinc/45/73/94/379457394.db2.gz SVSMNVFEZJGMPI-KBXCAEBGSA-N 2 1 289.467 3.169 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534010 379457400 /nfs/dbraw/zinc/45/74/00/379457400.db2.gz SVSMNVFEZJGMPI-KBXCAEBGSA-N 2 1 289.467 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534010 379457418 /nfs/dbraw/zinc/45/74/18/379457418.db2.gz SVSMNVFEZJGMPI-KBXCAEBGSA-N 2 1 289.467 3.169 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000349988575 379471865 /nfs/dbraw/zinc/47/18/65/379471865.db2.gz FGHLHYLKIRVVKT-AEFFLSMTSA-N 2 1 272.436 3.206 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000349988575 379471869 /nfs/dbraw/zinc/47/18/69/379471869.db2.gz FGHLHYLKIRVVKT-AEFFLSMTSA-N 2 1 272.436 3.206 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C)cc1 ZINC000639567466 379477849 /nfs/dbraw/zinc/47/78/49/379477849.db2.gz QDRWWXQDQIADHV-VBQJREDUSA-N 2 1 299.418 3.256 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(F)cc2F)CC[N@H+]1C ZINC000350047102 379488381 /nfs/dbraw/zinc/48/83/81/379488381.db2.gz HXVIYZJLKPSFLL-OVJPTDFGSA-N 2 1 280.362 3.050 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581838 379489601 /nfs/dbraw/zinc/48/96/01/379489601.db2.gz ZOTSWMATCKVXEI-UXLLHSPISA-N 2 1 294.483 3.044 20 0 CGADMP FC1(F)CC[C@@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639684491 379545652 /nfs/dbraw/zinc/54/56/52/379545652.db2.gz VSIMCMAHFHLNLE-CQSZACIVSA-N 2 1 295.377 3.029 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2cccnc2)C1 ZINC000639693637 379549998 /nfs/dbraw/zinc/54/99/98/379549998.db2.gz RHKIIPIKTKGJHE-ZWKOTPCHSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639693637 379550003 /nfs/dbraw/zinc/55/00/03/379550003.db2.gz RHKIIPIKTKGJHE-ZWKOTPCHSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639693637 379550011 /nfs/dbraw/zinc/55/00/11/379550011.db2.gz RHKIIPIKTKGJHE-ZWKOTPCHSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3sccc3Cl)C2)CC1 ZINC000639756253 379569660 /nfs/dbraw/zinc/56/96/60/379569660.db2.gz SXFTXRFKSGCETO-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)CC2=CCSC2)c(C)n1 ZINC000639865482 379614969 /nfs/dbraw/zinc/61/49/69/379614969.db2.gz KVIQGOKNPXUTEW-UHFFFAOYSA-N 2 1 262.422 3.112 20 0 CGADMP CC(C)C[NH+](Cc1ncc(C[NH+](C)C)s1)CC(C)C ZINC000347675406 218316809 /nfs/dbraw/zinc/31/68/09/218316809.db2.gz MIKPHPGUGUMFPI-UHFFFAOYSA-N 2 1 283.485 3.319 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000352534853 379847007 /nfs/dbraw/zinc/84/70/07/379847007.db2.gz JVSRJYOBCNQWQI-RHSMWYFYSA-N 2 1 276.399 3.005 20 0 CGADMP C[C@H](c1ccncc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530365 379818991 /nfs/dbraw/zinc/81/89/91/379818991.db2.gz DBQHFITZZBOPHC-MRXNPFEDSA-N 2 1 275.440 3.341 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@]2(C)CCCS2)CCCCC1 ZINC000393119930 379915012 /nfs/dbraw/zinc/91/50/12/379915012.db2.gz ZSZSVFWZHQSNBV-AWEZNQCLSA-N 2 1 270.486 3.126 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000387713243 379878512 /nfs/dbraw/zinc/87/85/12/379878512.db2.gz ZGZXJHBBOQPTHS-CZUORRHYSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000387713246 379879159 /nfs/dbraw/zinc/87/91/59/379879159.db2.gz ZGZXJHBBOQPTHS-XJKSGUPXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(O)c1 ZINC000282333500 379900903 /nfs/dbraw/zinc/90/09/03/379900903.db2.gz OGQNXBHGMFHGAA-CQSZACIVSA-N 2 1 276.424 3.165 20 0 CGADMP CC(C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813447 379977252 /nfs/dbraw/zinc/97/72/52/379977252.db2.gz BGLIRUFDEOWRRU-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP CC(C)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813447 379977254 /nfs/dbraw/zinc/97/72/54/379977254.db2.gz BGLIRUFDEOWRRU-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP CC(C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813447 379977259 /nfs/dbraw/zinc/97/72/59/379977259.db2.gz BGLIRUFDEOWRRU-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1C ZINC000279026134 194254530 /nfs/dbraw/zinc/25/45/30/194254530.db2.gz VPTWSMDQJBURKQ-HOTGVXAUSA-N 2 1 283.419 3.413 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000401683593 379958827 /nfs/dbraw/zinc/95/88/27/379958827.db2.gz AVAMXNYKCBCYIV-JJXSEGSLSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641774625 380090240 /nfs/dbraw/zinc/09/02/40/380090240.db2.gz RHTSVZMAGVCGGQ-MAUKXSAKSA-N 2 1 272.436 3.459 20 0 CGADMP CSC1(C[NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000347896646 218393189 /nfs/dbraw/zinc/39/31/89/218393189.db2.gz FZGONEDPSXUDSO-OKILXGFUSA-N 2 1 284.513 3.228 20 0 CGADMP CSC1(C[NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000347896646 218393192 /nfs/dbraw/zinc/39/31/92/218393192.db2.gz FZGONEDPSXUDSO-OKILXGFUSA-N 2 1 284.513 3.228 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4occc4c3)CC[C@@H]21 ZINC000347914786 218398538 /nfs/dbraw/zinc/39/85/38/218398538.db2.gz PDBSWAFMCIFCNN-SJORKVTESA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4occc4c3)CC[C@@H]21 ZINC000347914786 218398540 /nfs/dbraw/zinc/39/85/40/218398540.db2.gz PDBSWAFMCIFCNN-SJORKVTESA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4occc4c3)CC[C@@H]21 ZINC000347914786 218398541 /nfs/dbraw/zinc/39/85/41/218398541.db2.gz PDBSWAFMCIFCNN-SJORKVTESA-N 2 1 284.403 3.349 20 0 CGADMP Cc1ccc2c(C)cc(NCC(C)(C)C[NH+](C)C)[nH+]c2c1 ZINC000641936899 380124266 /nfs/dbraw/zinc/12/42/66/380124266.db2.gz FWBRMSNTADUZNZ-UHFFFAOYSA-N 2 1 285.435 3.273 20 0 CGADMP C[N@@H+](CCCCF)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000285538583 380150709 /nfs/dbraw/zinc/15/07/09/380150709.db2.gz HKRLERBVDCBWIK-UHFFFAOYSA-N 2 1 293.430 3.370 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000643057866 380209091 /nfs/dbraw/zinc/20/90/91/380209091.db2.gz NYTPLNQPHVLQMW-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2)C[C@@H]1C ZINC000354222742 380367439 /nfs/dbraw/zinc/36/74/39/380367439.db2.gz MHTIFODNXUMHJR-HOCLYGCPSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](Cc2ccc(F)cc2F)C2CC2)CC[NH2+]1 ZINC000414682183 380370790 /nfs/dbraw/zinc/37/07/90/380370790.db2.gz XZTQUWKJXXVUBT-QWHCGFSZSA-N 2 1 294.389 3.317 20 0 CGADMP Fc1ccc2oc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2c1 ZINC000414771524 380396094 /nfs/dbraw/zinc/39/60/94/380396094.db2.gz RHGPVBUQIYPVNJ-BETUJISGSA-N 2 1 288.366 3.003 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414690365 380376324 /nfs/dbraw/zinc/37/63/24/380376324.db2.gz AMJMXKZAZBXZJH-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+](CCc1cccs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414698867 380380252 /nfs/dbraw/zinc/38/02/52/380380252.db2.gz IENCMNYXPWALFO-UONOGXRCSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cc3ccccc3o2)CC[NH2+]1 ZINC000414703385 380381397 /nfs/dbraw/zinc/38/13/97/380381397.db2.gz JQIYMIXMLFIEEQ-KBPBESRZSA-N 2 1 272.392 3.253 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](CCC(F)(F)F)CC2CC2)CC[NH2+]1 ZINC000414710362 380383542 /nfs/dbraw/zinc/38/35/42/380383542.db2.gz PZZUUCVOJJAOLD-AAEUAGOBSA-N 2 1 278.362 3.039 20 0 CGADMP CC[N@@H+](C[C@H](C)Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000414713456 380384842 /nfs/dbraw/zinc/38/48/42/380384842.db2.gz KQHJRFKZDAXERK-AEFFLSMTSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000643524360 380340377 /nfs/dbraw/zinc/34/03/77/380340377.db2.gz MDIRVHCRMCJRLH-NUEKZKHPSA-N 2 1 298.434 3.008 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000643524358 380340949 /nfs/dbraw/zinc/34/09/49/380340949.db2.gz MDIRVHCRMCJRLH-CWRNSKLLSA-N 2 1 298.434 3.008 20 0 CGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528863 380345415 /nfs/dbraw/zinc/34/54/15/380345415.db2.gz QGKNOVWKMDOZDT-RYUDHWBXSA-N 2 1 289.448 3.425 20 0 CGADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528689 380345463 /nfs/dbraw/zinc/34/54/63/380345463.db2.gz NCBKSPUCRLIJCV-NEPJUHHUSA-N 2 1 252.427 3.185 20 0 CGADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643529228 380346780 /nfs/dbraw/zinc/34/67/80/380346780.db2.gz XCVFBDISQDGJRP-XJKSGUPXSA-N 2 1 264.413 3.109 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3coc4ccccc34)C2)C1 ZINC000354167292 380351692 /nfs/dbraw/zinc/35/16/92/380351692.db2.gz OZESUISKOLXIRH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3coc4ccccc34)C2)C1 ZINC000354167292 380351698 /nfs/dbraw/zinc/35/16/98/380351698.db2.gz OZESUISKOLXIRH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3coc4ccccc34)C2)C1 ZINC000354167292 380351708 /nfs/dbraw/zinc/35/17/08/380351708.db2.gz OZESUISKOLXIRH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414654687 380354507 /nfs/dbraw/zinc/35/45/07/380354507.db2.gz CJYCYZHDCMPBLY-JOCBIADPSA-N 2 1 272.436 3.166 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000643546282 380359533 /nfs/dbraw/zinc/35/95/33/380359533.db2.gz LXUCJZQVDAACSR-CHWSQXEVSA-N 2 1 292.398 3.160 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643546431 380360026 /nfs/dbraw/zinc/36/00/26/380360026.db2.gz OQDCATXIBQFPTP-WCQYABFASA-N 2 1 279.453 3.085 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414669897 380362079 /nfs/dbraw/zinc/36/20/79/380362079.db2.gz CDWYGWKREIRFPZ-JYJNAYRXSA-N 2 1 260.425 3.376 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000414669346 380362125 /nfs/dbraw/zinc/36/21/25/380362125.db2.gz ZTNHQJTVJTXDPX-HIFRSBDPSA-N 2 1 278.465 3.358 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1F ZINC000414818836 380430656 /nfs/dbraw/zinc/43/06/56/380430656.db2.gz WUNZKFLXLBRBPY-UKRRQHHQSA-N 2 1 266.404 3.254 20 0 CGADMP COc1ccc2cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc2c1 ZINC000414830688 380440723 /nfs/dbraw/zinc/44/07/23/380440723.db2.gz BJEAKMVRLOFJDD-KRWDZBQOSA-N 2 1 286.419 3.311 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000414856372 380457871 /nfs/dbraw/zinc/45/78/71/380457871.db2.gz YTFMOMRLICNHSQ-RDJZCZTQSA-N 2 1 262.441 3.218 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414843366 380449459 /nfs/dbraw/zinc/44/94/59/380449459.db2.gz BTYIXPLOOVAKDM-MNOVXSKESA-N 2 1 287.234 3.471 20 0 CGADMP C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000414850848 380453822 /nfs/dbraw/zinc/45/38/22/380453822.db2.gz IOEBKGSBCRDVBG-QWRGUYRKSA-N 2 1 287.234 3.471 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C(F)(F)F ZINC000414773848 380399117 /nfs/dbraw/zinc/39/91/17/380399117.db2.gz TZLJEMTYNGNRHE-HIFRSBDPSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C(F)(F)F ZINC000414773848 380399118 /nfs/dbraw/zinc/39/91/18/380399118.db2.gz TZLJEMTYNGNRHE-HIFRSBDPSA-N 2 1 298.352 3.198 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414777231 380400642 /nfs/dbraw/zinc/40/06/42/380400642.db2.gz HUHRVXMODWJULU-QWHCGFSZSA-N 2 1 296.817 3.301 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000414798311 380412299 /nfs/dbraw/zinc/41/22/99/380412299.db2.gz BZAFKHSWHWJBHW-HZMBPMFUSA-N 2 1 286.341 3.136 20 0 CGADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414801514 380414726 /nfs/dbraw/zinc/41/47/26/380414726.db2.gz UFYNDYPFOSNRKN-HIFRSBDPSA-N 2 1 287.432 3.027 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414932359 380493607 /nfs/dbraw/zinc/49/36/07/380493607.db2.gz QYAVWIBFQJDHRT-LTDKPHRXSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414935843 380496551 /nfs/dbraw/zinc/49/65/51/380496551.db2.gz GGPQNUWGPCGGQW-BBRMVZONSA-N 2 1 270.376 3.034 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)s1 ZINC000415053984 380507580 /nfs/dbraw/zinc/50/75/80/380507580.db2.gz PHYVFVBCOGSABY-GOEBONIOSA-N 2 1 278.465 3.329 20 0 CGADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(F)cc2)CCCCCC1 ZINC000414858606 380459560 /nfs/dbraw/zinc/45/95/60/380459560.db2.gz KGDBQFADNDSQAM-WAYWQWQTSA-N 2 1 276.399 3.480 20 0 CGADMP c1ccc(CC[C@@H](Cc2ccccc2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414867140 380465490 /nfs/dbraw/zinc/46/54/90/380465490.db2.gz GFHOQOKHQPFMBL-PMACEKPBSA-N 2 1 294.442 3.182 20 0 CGADMP CC(C)CCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414876410 380470154 /nfs/dbraw/zinc/47/01/54/380470154.db2.gz DKHHOTCWFIJSHU-UHFFFAOYSA-N 2 1 276.424 3.083 20 0 CGADMP CCC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000414876890 380470227 /nfs/dbraw/zinc/47/02/27/380470227.db2.gz FFXYAPFEHZYIFK-BMGDILEWSA-N 2 1 290.451 3.167 20 0 CGADMP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000414899586 380480430 /nfs/dbraw/zinc/48/04/30/380480430.db2.gz CFIQCLNRLBTXKE-GFCCVEGCSA-N 2 1 290.304 3.076 20 0 CGADMP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c(C)c1Cl ZINC000355103293 380574719 /nfs/dbraw/zinc/57/47/19/380574719.db2.gz WOZICFMONBHLNL-UHFFFAOYSA-N 2 1 278.787 3.075 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417300628 380587304 /nfs/dbraw/zinc/58/73/04/380587304.db2.gz AQCUYIABVJQSTH-QKGCVVFFSA-N 2 1 278.465 3.312 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417300628 380587306 /nfs/dbraw/zinc/58/73/06/380587306.db2.gz AQCUYIABVJQSTH-QKGCVVFFSA-N 2 1 278.465 3.312 20 0 CGADMP CCSCC[NH2+]C[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000355736995 380763884 /nfs/dbraw/zinc/76/38/84/380763884.db2.gz PSGGLCZDAANIBO-HNNXBMFYSA-N 2 1 272.502 3.230 20 0 CGADMP Cc1ccsc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355594334 380721755 /nfs/dbraw/zinc/72/17/55/380721755.db2.gz DWORITUQASFEFP-UHFFFAOYSA-N 2 1 264.438 3.163 20 0 CGADMP c1ccc2c(c1)CCC[C@@]21CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420307579 380845217 /nfs/dbraw/zinc/84/52/17/380845217.db2.gz RLPZQHNMGPILAY-XLIONFOSSA-N 2 1 298.474 3.356 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420311692 380849264 /nfs/dbraw/zinc/84/92/64/380849264.db2.gz RFFKYGGAJDPCGS-JKSUJKDBSA-N 2 1 276.811 3.013 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420311692 380849269 /nfs/dbraw/zinc/84/92/69/380849269.db2.gz RFFKYGGAJDPCGS-JKSUJKDBSA-N 2 1 276.811 3.013 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)OC)CC1)CC(C)C ZINC000360201383 381477883 /nfs/dbraw/zinc/47/78/83/381477883.db2.gz ZOYMZHYXENNABL-MRXNPFEDSA-N 2 1 284.488 3.101 20 0 CGADMP Cc1sc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc1C(C)C ZINC000361345104 381709004 /nfs/dbraw/zinc/70/90/04/381709004.db2.gz HHSNVEVFFCZKHS-YRGRVCCFSA-N 2 1 295.496 3.393 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC1CCCCC1 ZINC000361538954 381790772 /nfs/dbraw/zinc/79/07/72/381790772.db2.gz CLTPLMYPRALBCG-CQSZACIVSA-N 2 1 263.429 3.388 20 0 CGADMP C(C[NH+]1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000365475483 382287129 /nfs/dbraw/zinc/28/71/29/382287129.db2.gz BVVKWTMCAINUDM-IAGOWNOFSA-N 2 1 262.441 3.125 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127242 382334644 /nfs/dbraw/zinc/33/46/44/382334644.db2.gz RILJVDPSHXOIFG-UJCHZGTJSA-N 2 1 284.447 3.395 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000245642660 542322714 /nfs/dbraw/zinc/32/27/14/542322714.db2.gz DXBYOSXHOGQKEH-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000245642660 542322716 /nfs/dbraw/zinc/32/27/16/542322716.db2.gz DXBYOSXHOGQKEH-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000245642660 542322721 /nfs/dbraw/zinc/32/27/21/542322721.db2.gz DXBYOSXHOGQKEH-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000251902394 542348662 /nfs/dbraw/zinc/34/86/62/542348662.db2.gz WYUAWVNYYMYRKA-WCVJEAGWSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000251902394 542348663 /nfs/dbraw/zinc/34/86/63/542348663.db2.gz WYUAWVNYYMYRKA-WCVJEAGWSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1C[N@@H+](CC[C@H](C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000251637313 542347774 /nfs/dbraw/zinc/34/77/74/542347774.db2.gz FTSIQFUDINWYRH-UXLLHSPISA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(C)nc3ccccc23)CC[C@H]1[NH3+] ZINC000251876527 542349113 /nfs/dbraw/zinc/34/91/13/542349113.db2.gz UWDBASZRZHDSRS-RHSMWYFYSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416221 542349783 /nfs/dbraw/zinc/34/97/83/542349783.db2.gz NGRWWDAGRRYKBT-JKIFEVAISA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416221 542349789 /nfs/dbraw/zinc/34/97/89/542349789.db2.gz NGRWWDAGRRYKBT-JKIFEVAISA-N 2 1 276.399 3.351 20 0 CGADMP c1ccc(SCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252458026 542350435 /nfs/dbraw/zinc/35/04/35/542350435.db2.gz FYAOAOBGUVRTPH-DOTOQJQBSA-N 2 1 290.476 3.243 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423453736 532992818 /nfs/dbraw/zinc/99/28/18/532992818.db2.gz XZGIODRBAOVLTL-RDBSUJKOSA-N 2 1 269.392 3.135 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414176593 533007795 /nfs/dbraw/zinc/00/77/95/533007795.db2.gz JEBIKKJSKVXIMK-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP COC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000271704787 542366083 /nfs/dbraw/zinc/36/60/83/542366083.db2.gz NEPJPEYMOQYOKP-SFHVURJKSA-N 2 1 290.451 3.084 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423570053 533059880 /nfs/dbraw/zinc/05/98/80/533059880.db2.gz WSSNDMYLKJYHLP-LBPRGKRZSA-N 2 1 264.438 3.201 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000353749272 220302901 /nfs/dbraw/zinc/30/29/01/220302901.db2.gz DQBNOSLKWYLYLI-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000353749272 220302905 /nfs/dbraw/zinc/30/29/05/220302905.db2.gz DQBNOSLKWYLYLI-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000353749272 220302909 /nfs/dbraw/zinc/30/29/09/220302909.db2.gz DQBNOSLKWYLYLI-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000353750628 220305030 /nfs/dbraw/zinc/30/50/30/220305030.db2.gz YHGBNFFQHWXBNY-CJNGLKHVSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000353750628 220305033 /nfs/dbraw/zinc/30/50/33/220305033.db2.gz YHGBNFFQHWXBNY-CJNGLKHVSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000353750628 220305038 /nfs/dbraw/zinc/30/50/38/220305038.db2.gz YHGBNFFQHWXBNY-CJNGLKHVSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000353750628 220305041 /nfs/dbraw/zinc/30/50/41/220305041.db2.gz YHGBNFFQHWXBNY-CJNGLKHVSA-N 2 1 264.388 3.130 20 0 CGADMP COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543523 285140337 /nfs/dbraw/zinc/14/03/37/285140337.db2.gz WPELWCSXPBKARS-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2ncccc2c1 ZINC000281197376 195145523 /nfs/dbraw/zinc/14/55/23/195145523.db2.gz IVVHKWKMXIGZAY-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2ncccc2c1 ZINC000281197376 195145525 /nfs/dbraw/zinc/14/55/25/195145525.db2.gz IVVHKWKMXIGZAY-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP COC[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480599947 285218310 /nfs/dbraw/zinc/21/83/10/285218310.db2.gz FBFDXNFFUHNGAT-IXDOHACOSA-N 2 1 284.488 3.005 20 0 CGADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446759603 285234867 /nfs/dbraw/zinc/23/48/67/285234867.db2.gz PHGGJIZAHNWQJJ-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000300247770 542411702 /nfs/dbraw/zinc/41/17/02/542411702.db2.gz CRIPXJMTEMSDJL-BJJXKVORSA-N 2 1 278.827 3.208 20 0 CGADMP CC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309791721 542426083 /nfs/dbraw/zinc/42/60/83/542426083.db2.gz OULUPFAFNKJOEP-QGZVFWFLSA-N 2 1 272.436 3.288 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc3cc(OC)ccc3c2)CC[C@H]1[NH3+] ZINC000317641524 542438124 /nfs/dbraw/zinc/43/81/24/542438124.db2.gz YJGGEIAUITYFEP-DNVCBOLYSA-N 2 1 298.430 3.408 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000339070677 542486137 /nfs/dbraw/zinc/48/61/37/542486137.db2.gz OAGRAOYZVWZXEO-BZSNNMDCSA-N 2 1 287.451 3.038 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)CC(C)C)C[C@H]1C ZINC000410395048 285396129 /nfs/dbraw/zinc/39/61/29/285396129.db2.gz KLEXKPRYIUPANO-XHSDSOJGSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)C[C@H]1C ZINC000410395048 285396130 /nfs/dbraw/zinc/39/61/30/285396130.db2.gz KLEXKPRYIUPANO-XHSDSOJGSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)CC(C)C)C[C@H]1C ZINC000410395048 285396132 /nfs/dbraw/zinc/39/61/32/285396132.db2.gz KLEXKPRYIUPANO-XHSDSOJGSA-N 2 1 254.462 3.473 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423472196 533520174 /nfs/dbraw/zinc/52/01/74/533520174.db2.gz HVMMPENVRVETDD-NWDGAFQWSA-N 2 1 262.388 3.036 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423361171 533528251 /nfs/dbraw/zinc/52/82/51/533528251.db2.gz MDRNTLWJOKQVGU-UJPOAAIJSA-N 2 1 298.883 3.481 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccs1 ZINC000423259017 533536529 /nfs/dbraw/zinc/53/65/29/533536529.db2.gz CYDJPKPYHCTHCF-DGCLKSJQSA-N 2 1 252.427 3.306 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000423404198 533546800 /nfs/dbraw/zinc/54/68/00/533546800.db2.gz ZAVQXVVSVVOWEP-FOGDFJRCSA-N 2 1 270.779 3.270 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2ccccc2n1 ZINC000423397052 533547230 /nfs/dbraw/zinc/54/72/30/533547230.db2.gz UIWCUIDEFZHIPC-NFAWXSAZSA-N 2 1 269.392 3.026 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000414921397 542639284 /nfs/dbraw/zinc/63/92/84/542639284.db2.gz FMGYVKWMDLIWBT-QWRGUYRKSA-N 2 1 293.461 3.231 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000090721524 392229388 /nfs/dbraw/zinc/22/93/88/392229388.db2.gz RXHQAVYYUUTAHL-FZMZJTMJSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2c(s1)CCC2 ZINC000361754233 392313150 /nfs/dbraw/zinc/31/31/50/392313150.db2.gz MVEJNJNQNVQSIR-OBJOEFQTSA-N 2 1 278.465 3.370 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2c(s1)CCC2 ZINC000361754233 392313158 /nfs/dbraw/zinc/31/31/58/392313158.db2.gz MVEJNJNQNVQSIR-OBJOEFQTSA-N 2 1 278.465 3.370 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000105443617 392289918 /nfs/dbraw/zinc/28/99/18/392289918.db2.gz UMZKNXWJPHJKNA-AWEZNQCLSA-N 2 1 271.408 3.180 20 0 CGADMP Cc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000361810263 392330221 /nfs/dbraw/zinc/33/02/21/392330221.db2.gz CIQSIRDMAAETLX-OAHLLOKOSA-N 2 1 299.393 3.357 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453314164 542681231 /nfs/dbraw/zinc/68/12/31/542681231.db2.gz XSCWTRSPPZKYSD-UBDQQSCGSA-N 2 1 272.436 3.458 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453314164 542681234 /nfs/dbraw/zinc/68/12/34/542681234.db2.gz XSCWTRSPPZKYSD-UBDQQSCGSA-N 2 1 272.436 3.458 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000133835735 392465065 /nfs/dbraw/zinc/46/50/65/392465065.db2.gz DODNTOCPMDQQCO-JKIFEVAISA-N 2 1 292.442 3.422 20 0 CGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CC)CC2)cs1 ZINC000161786061 392586690 /nfs/dbraw/zinc/58/66/90/392586690.db2.gz XGVLFTFBVPIVKD-ZDUSSCGKSA-N 2 1 295.496 3.306 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000162091785 392591164 /nfs/dbraw/zinc/59/11/64/392591164.db2.gz CVIQIDLSIAYIIL-HNNXBMFYSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@H](C(C)C)C1 ZINC000162091785 392591167 /nfs/dbraw/zinc/59/11/67/392591167.db2.gz CVIQIDLSIAYIIL-HNNXBMFYSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC2(CCCC2)C1 ZINC000162079025 392591419 /nfs/dbraw/zinc/59/14/19/392591419.db2.gz JOEBCEOYOWULHW-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC2(CCCC2)C1 ZINC000162079025 392591424 /nfs/dbraw/zinc/59/14/24/392591424.db2.gz JOEBCEOYOWULHW-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1cc(N2CCC([NH2+][C@H](C)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000162298571 392593991 /nfs/dbraw/zinc/59/39/91/392593991.db2.gz IOTWVJOJVCDKKT-CYBMUJFWSA-N 2 1 290.455 3.086 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000162430845 392595768 /nfs/dbraw/zinc/59/57/68/392595768.db2.gz PXSLEKVSHQHCID-AWEZNQCLSA-N 2 1 272.396 3.060 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000162430845 392595771 /nfs/dbraw/zinc/59/57/71/392595771.db2.gz PXSLEKVSHQHCID-AWEZNQCLSA-N 2 1 272.396 3.060 20 0 CGADMP Cc1cccc(C2([NH2+]C3CC[NH+](C)CC3)CCC2)c1 ZINC000647331844 392677177 /nfs/dbraw/zinc/67/71/77/392677177.db2.gz KQESXJJZEQVWFJ-UHFFFAOYSA-N 2 1 258.409 3.058 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccncc1 ZINC000647282311 392635643 /nfs/dbraw/zinc/63/56/43/392635643.db2.gz NPHOOVNRFXPTEE-CRAIPNDOSA-N 2 1 287.451 3.243 20 0 CGADMP CSc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482936 392737603 /nfs/dbraw/zinc/73/76/03/392737603.db2.gz KUQMOKCKWRQSFH-UHFFFAOYSA-N 2 1 276.449 3.125 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc3nc(C)sc3c2)CC[C@@H]1[NH3+] ZINC000647497253 392740936 /nfs/dbraw/zinc/74/09/36/392740936.db2.gz AZNZPGHTZIGXBF-KBPBESRZSA-N 2 1 289.448 3.164 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000647950163 392839544 /nfs/dbraw/zinc/83/95/44/392839544.db2.gz PNVZAKQLVUBXSH-KRWDZBQOSA-N 2 1 287.451 3.137 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000647950163 392839548 /nfs/dbraw/zinc/83/95/48/392839548.db2.gz PNVZAKQLVUBXSH-KRWDZBQOSA-N 2 1 287.451 3.137 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000186957787 392786180 /nfs/dbraw/zinc/78/61/80/392786180.db2.gz RDVGHZQLPVRACE-IBGZPJMESA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647881232 392822597 /nfs/dbraw/zinc/82/25/97/392822597.db2.gz XJSZEJZCERJIJH-QWHCGFSZSA-N 2 1 278.827 3.475 20 0 CGADMP Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879891 392822770 /nfs/dbraw/zinc/82/27/70/392822770.db2.gz VCQQCOAKOHABMH-OLZOCXBDSA-N 2 1 296.817 3.096 20 0 CGADMP Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879891 392822779 /nfs/dbraw/zinc/82/27/79/392822779.db2.gz VCQQCOAKOHABMH-OLZOCXBDSA-N 2 1 296.817 3.096 20 0 CGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)c1C ZINC000647889449 392826279 /nfs/dbraw/zinc/82/62/79/392826279.db2.gz RMWAHJULTONOHA-WMZOPIPTSA-N 2 1 272.436 3.440 20 0 CGADMP CC[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1[NH3+] ZINC000381011744 392905709 /nfs/dbraw/zinc/90/57/09/392905709.db2.gz MBQIWYOSDHFNNQ-CABCVRRESA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977063 392855949 /nfs/dbraw/zinc/85/59/49/392855949.db2.gz XPTNESCMPDCYOJ-BPQIPLTHSA-N 2 1 272.436 3.459 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000647992264 392860522 /nfs/dbraw/zinc/86/05/22/392860522.db2.gz YHMOCOFMCQMWPJ-XHDPSFHLSA-N 2 1 268.351 3.005 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000337344828 392880531 /nfs/dbraw/zinc/88/05/31/392880531.db2.gz ULQWGNNLUUCSJF-XGXHKWSGSA-N 2 1 299.462 3.324 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000521292567 542739118 /nfs/dbraw/zinc/73/91/18/542739118.db2.gz PWOMIDQQEVXNCG-FSDCSDTHSA-N 2 1 264.457 3.133 20 0 CGADMP FC1(F)CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459521508 392945992 /nfs/dbraw/zinc/94/59/92/392945992.db2.gz FCXJMMSUOVWJEI-LBPRGKRZSA-N 2 1 272.383 3.028 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340399748 392972290 /nfs/dbraw/zinc/97/22/90/392972290.db2.gz ZSWWTDLTQZDFDT-SIXLDLHFSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340399748 392972295 /nfs/dbraw/zinc/97/22/95/392972295.db2.gz ZSWWTDLTQZDFDT-SIXLDLHFSA-N 2 1 258.409 3.210 20 0 CGADMP Clc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415041458 393108864 /nfs/dbraw/zinc/10/88/64/393108864.db2.gz LKYSMLFDDDYJKA-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415041458 393108873 /nfs/dbraw/zinc/10/88/73/393108873.db2.gz LKYSMLFDDDYJKA-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP CCCCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415014007 393096967 /nfs/dbraw/zinc/09/69/67/393096967.db2.gz WDSMYPGWSQYLJV-KGLIPLIRSA-N 2 1 264.413 3.081 20 0 CGADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)O1 ZINC000248883224 393097918 /nfs/dbraw/zinc/09/79/18/393097918.db2.gz GSCOAAUARSMZKJ-ZJPYXAASSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1CC[C@H](C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)O1 ZINC000248883224 393097924 /nfs/dbraw/zinc/09/79/24/393097924.db2.gz GSCOAAUARSMZKJ-ZJPYXAASSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1CC[C@H](C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)O1 ZINC000248883224 393097927 /nfs/dbraw/zinc/09/79/27/393097927.db2.gz GSCOAAUARSMZKJ-ZJPYXAASSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000414834614 393054284 /nfs/dbraw/zinc/05/42/84/393054284.db2.gz GSGVSCGICXJRQL-LBPRGKRZSA-N 2 1 274.330 3.168 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415036209 393107148 /nfs/dbraw/zinc/10/71/48/393107148.db2.gz FNCLZANRFRKWDI-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cc(N)cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000414958462 393064520 /nfs/dbraw/zinc/06/45/20/393064520.db2.gz DDPDUMRNRRMAQL-RBUKOAKNSA-N 2 1 295.430 3.160 20 0 CGADMP Clc1cnc2oc(C[NH2+]CCC[NH+]3CCCC3)cc2c1 ZINC000648495906 393068234 /nfs/dbraw/zinc/06/82/34/393068234.db2.gz MQKINCJMCRDCJS-UHFFFAOYSA-N 2 1 293.798 3.057 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414977696 393077409 /nfs/dbraw/zinc/07/74/09/393077409.db2.gz KMMWBOCLERRRKU-CQSZACIVSA-N 2 1 260.406 3.242 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000348087928 393112219 /nfs/dbraw/zinc/11/22/19/393112219.db2.gz XCMZEHOKQWTDJG-RRFJBIMHSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000348087928 393112226 /nfs/dbraw/zinc/11/22/26/393112226.db2.gz XCMZEHOKQWTDJG-RRFJBIMHSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000348087928 393112231 /nfs/dbraw/zinc/11/22/31/393112231.db2.gz XCMZEHOKQWTDJG-RRFJBIMHSA-N 2 1 252.446 3.370 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1Cl ZINC000415051443 393114616 /nfs/dbraw/zinc/11/46/16/393114616.db2.gz FLMHOGCYEGLMSW-ZDUSSCGKSA-N 2 1 254.805 3.111 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000250893097 393115323 /nfs/dbraw/zinc/11/53/23/393115323.db2.gz GLRSMKJSZPTJSG-AVGNSLFASA-N 2 1 250.411 3.026 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@H]1COc2ccccc21 ZINC000348776350 393130649 /nfs/dbraw/zinc/13/06/49/393130649.db2.gz PXYLSNBUASKQIP-ZMSDIMECSA-N 2 1 288.435 3.015 20 0 CGADMP CC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC1 ZINC000415079846 393134068 /nfs/dbraw/zinc/13/40/68/393134068.db2.gz IOPPTCGWPLLXTJ-JKSUJKDBSA-N 2 1 258.409 3.260 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000415088776 393140214 /nfs/dbraw/zinc/14/02/14/393140214.db2.gz XXLQTVFSYAOGJA-VSZNYVQBSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415088269 393140370 /nfs/dbraw/zinc/14/03/70/393140370.db2.gz WAYFOXWPEANOJE-KBRIMQKVSA-N 2 1 258.409 3.258 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261542132 393140946 /nfs/dbraw/zinc/14/09/46/393140946.db2.gz BVTJWGSHOPHFRE-RISCZKNCSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261542132 393140954 /nfs/dbraw/zinc/14/09/54/393140954.db2.gz BVTJWGSHOPHFRE-RISCZKNCSA-N 2 1 297.240 3.181 20 0 CGADMP CCc1noc(CC)c1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415089320 393141144 /nfs/dbraw/zinc/14/11/44/393141144.db2.gz WERJUXULMKKQPE-KBPBESRZSA-N 2 1 293.455 3.200 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468550773 393151955 /nfs/dbraw/zinc/15/19/55/393151955.db2.gz AXQCTCNOTLPZFV-JKIFEVAISA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468550773 393151961 /nfs/dbraw/zinc/15/19/61/393151961.db2.gz AXQCTCNOTLPZFV-JKIFEVAISA-N 2 1 278.415 3.219 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000646134798 393221708 /nfs/dbraw/zinc/22/17/08/393221708.db2.gz RKLPLBLEKSBOLA-HNNXBMFYSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000646134798 393221716 /nfs/dbraw/zinc/22/17/16/393221716.db2.gz RKLPLBLEKSBOLA-HNNXBMFYSA-N 2 1 291.439 3.005 20 0 CGADMP CC1CCC(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000353822494 393233251 /nfs/dbraw/zinc/23/32/51/393233251.db2.gz WWZBVBUTYHDFJG-JCYILVPMSA-N 2 1 264.457 3.230 20 0 CGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000271486970 393252397 /nfs/dbraw/zinc/25/23/97/393252397.db2.gz OFPHZLKAMAVUDN-LXZKKBNFSA-N 2 1 288.435 3.145 20 0 CGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000271486970 393252404 /nfs/dbraw/zinc/25/24/04/393252404.db2.gz OFPHZLKAMAVUDN-LXZKKBNFSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268856548 393206567 /nfs/dbraw/zinc/20/65/67/393206567.db2.gz IKKMFYXLNXLYJG-JHNDHUHGSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268856548 393206578 /nfs/dbraw/zinc/20/65/78/393206578.db2.gz IKKMFYXLNXLYJG-JHNDHUHGSA-N 2 1 258.409 3.038 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000471773335 393301345 /nfs/dbraw/zinc/30/13/45/393301345.db2.gz QOJUTDWPNGAQNI-ZDUSSCGKSA-N 2 1 289.448 3.425 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCCCC1 ZINC000475191388 393380859 /nfs/dbraw/zinc/38/08/59/393380859.db2.gz CSYCFDXPZMRJSG-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCCC1 ZINC000475191388 393380864 /nfs/dbraw/zinc/38/08/64/393380864.db2.gz CSYCFDXPZMRJSG-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CCCC1 ZINC000474613653 393340967 /nfs/dbraw/zinc/34/09/67/393340967.db2.gz FBDLYRGMOGPWIC-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CCCC1 ZINC000474613653 393340973 /nfs/dbraw/zinc/34/09/73/393340973.db2.gz FBDLYRGMOGPWIC-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000417949487 393357744 /nfs/dbraw/zinc/35/77/44/393357744.db2.gz KLIOUWLSIVMCKC-BBRMVZONSA-N 2 1 299.418 3.399 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000479438639 393432431 /nfs/dbraw/zinc/43/24/31/393432431.db2.gz QRRNXKQHWZKGKU-YHUYYLMFSA-N 2 1 250.430 3.051 20 0 CGADMP CC(C)[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1C ZINC000487105340 393448944 /nfs/dbraw/zinc/44/89/44/393448944.db2.gz UMUMGSDYQCKKAX-KRWDZBQOSA-N 2 1 269.392 3.011 20 0 CGADMP C[N@H+](CCc1cccc2ccccc21)CC[C@@H]1CC[NH2+]C1 ZINC000420296108 393452848 /nfs/dbraw/zinc/45/28/48/393452848.db2.gz DCKPTYXGXDOCHZ-INIZCTEOSA-N 2 1 282.431 3.314 20 0 CGADMP c1ccc(SC[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420295984 393453935 /nfs/dbraw/zinc/45/39/35/393453935.db2.gz CUJYLYKKRNKZPY-CVEARBPZSA-N 2 1 290.476 3.100 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420301708 393456103 /nfs/dbraw/zinc/45/61/03/393456103.db2.gz IURUDNITRNMIAY-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](CC(C)C)C2)cc1 ZINC000420303922 393457261 /nfs/dbraw/zinc/45/72/61/393457261.db2.gz NXHWZUIPSNYQFU-WBVHZDCISA-N 2 1 290.451 3.106 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000420304482 393457897 /nfs/dbraw/zinc/45/78/97/393457897.db2.gz OOJMVWGMKQNDGN-AEFFLSMTSA-N 2 1 288.435 3.002 20 0 CGADMP CC[N@@H+](CCCc1ccccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000420311538 393460909 /nfs/dbraw/zinc/46/09/09/393460909.db2.gz NNAJIARNZYDJMD-KRWDZBQOSA-N 2 1 290.451 3.092 20 0 CGADMP CCC[N@@H+](Cc1ccccc1CC)C1CC[NH2+]CC1 ZINC000420314895 393461539 /nfs/dbraw/zinc/46/15/39/393461539.db2.gz KKLIJBOZUOFPJA-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1C(F)(F)F ZINC000420315973 393461664 /nfs/dbraw/zinc/46/16/64/393461664.db2.gz MAYWOKPEPROITR-LBPRGKRZSA-N 2 1 286.341 3.137 20 0 CGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCF ZINC000420319630 393463039 /nfs/dbraw/zinc/46/30/39/393463039.db2.gz XZDDQOAVZFPJOJ-DLBZAZTESA-N 2 1 278.415 3.018 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420317624 393463360 /nfs/dbraw/zinc/46/33/60/393463360.db2.gz NNHPXDWYKALGGF-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCF ZINC000420319633 393463652 /nfs/dbraw/zinc/46/36/52/393463652.db2.gz XZDDQOAVZFPJOJ-IAGOWNOFSA-N 2 1 278.415 3.018 20 0 CGADMP Clc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420318867 393463812 /nfs/dbraw/zinc/46/38/12/393463812.db2.gz PBVFXGBJDKHRAJ-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322423 393466152 /nfs/dbraw/zinc/46/61/52/393466152.db2.gz FCDKPXPYHXCBLP-SJLPKXTDSA-N 2 1 272.436 3.071 20 0 CGADMP CC(C)C[N@H+](CCc1ccccc1)CC[C@@H]1CC[NH2+]C1 ZINC000420328363 393467690 /nfs/dbraw/zinc/46/76/90/393467690.db2.gz ZFNYYJVTHWHTGH-SFHVURJKSA-N 2 1 274.452 3.187 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCSc1ccc(Cl)cc1 ZINC000420356276 393471695 /nfs/dbraw/zinc/47/16/95/393471695.db2.gz FWYDRDYCRFNVQG-ZDUSSCGKSA-N 2 1 286.872 3.395 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@H]1CC[NH2+]C1)CCC2 ZINC000420366882 393477090 /nfs/dbraw/zinc/47/70/90/393477090.db2.gz UZCPPXZHOBFQPU-OCCSQVGLSA-N 2 1 293.480 3.014 20 0 CGADMP CCC1(CC)CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000420379384 393478615 /nfs/dbraw/zinc/47/86/15/393478615.db2.gz VOISKZGXIDHGAO-UHFFFAOYSA-N 2 1 294.443 3.056 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000429798636 393503399 /nfs/dbraw/zinc/50/33/99/393503399.db2.gz JVCRQPBCGVRUQW-VSZNYVQBSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000429798636 393503407 /nfs/dbraw/zinc/50/34/07/393503407.db2.gz JVCRQPBCGVRUQW-VSZNYVQBSA-N 2 1 296.499 3.244 20 0 CGADMP CC(C)C1CC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000488441667 393514675 /nfs/dbraw/zinc/51/46/75/393514675.db2.gz CWUGKEJDBFAXEK-CGZBRXJRSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000488441667 393514681 /nfs/dbraw/zinc/51/46/81/393514681.db2.gz CWUGKEJDBFAXEK-CGZBRXJRSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](CC[NH2+]C[C@@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000488462051 393523420 /nfs/dbraw/zinc/52/34/20/393523420.db2.gz LDGCRAKJDKHREC-VYDXJSESSA-N 2 1 260.425 3.143 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCc1ccc(Cl)cc1 ZINC000430562442 393576190 /nfs/dbraw/zinc/57/61/90/393576190.db2.gz DPLMOWINPLZEEZ-HNNXBMFYSA-N 2 1 268.832 3.236 20 0 CGADMP Cc1cc(C)cc(OCCC[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000430569476 393577031 /nfs/dbraw/zinc/57/70/31/393577031.db2.gz IWBCWLBDYSNKBW-QGZVFWFLSA-N 2 1 278.440 3.035 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318916 393602752 /nfs/dbraw/zinc/60/27/52/393602752.db2.gz IZDZXHAYTIUGRJ-MOPGFXCFSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318916 393602756 /nfs/dbraw/zinc/60/27/56/393602756.db2.gz IZDZXHAYTIUGRJ-MOPGFXCFSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318916 393602762 /nfs/dbraw/zinc/60/27/62/393602762.db2.gz IZDZXHAYTIUGRJ-MOPGFXCFSA-N 2 1 284.447 3.480 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000360887058 393607029 /nfs/dbraw/zinc/60/70/29/393607029.db2.gz VERYRQQZIMUPSK-LPHOPBHVSA-N 2 1 296.414 3.414 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430653457 393584174 /nfs/dbraw/zinc/58/41/74/393584174.db2.gz OUGYMDBXVCIMEU-INIZCTEOSA-N 2 1 282.431 3.443 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC(OC(C)(C)C)C2)[C@H](C)C1 ZINC000432426916 393612902 /nfs/dbraw/zinc/61/29/02/393612902.db2.gz ASVMLIOTACMKKU-VXLLPVPCSA-N 2 1 296.499 3.290 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccsc2)C[C@@H]1C ZINC000360966173 393625907 /nfs/dbraw/zinc/62/59/07/393625907.db2.gz OAADRTKMSFGLQE-GOEBONIOSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccsc2)C[C@@H]1C ZINC000360966173 393625911 /nfs/dbraw/zinc/62/59/11/393625911.db2.gz OAADRTKMSFGLQE-GOEBONIOSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C[C@@H]1C ZINC000360966173 393625912 /nfs/dbraw/zinc/62/59/12/393625912.db2.gz OAADRTKMSFGLQE-GOEBONIOSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CC[NH3+])C1 ZINC000423188134 393653147 /nfs/dbraw/zinc/65/31/47/393653147.db2.gz PRICRILBLBALHZ-HZMBPMFUSA-N 2 1 297.240 3.011 20 0 CGADMP [NH3+]CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000423189236 393653775 /nfs/dbraw/zinc/65/37/75/393653775.db2.gz QQSJHSRNWGACFG-LSDHHAIUSA-N 2 1 266.816 3.305 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1ccsc1 ZINC000361087020 393670245 /nfs/dbraw/zinc/67/02/45/393670245.db2.gz KVUNVNPZJHRPCN-UHFFFAOYSA-N 2 1 277.437 3.208 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1ccsc1 ZINC000361087020 393670250 /nfs/dbraw/zinc/67/02/50/393670250.db2.gz KVUNVNPZJHRPCN-UHFFFAOYSA-N 2 1 277.437 3.208 20 0 CGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000361110808 393674608 /nfs/dbraw/zinc/67/46/08/393674608.db2.gz QYZMSZPFVGWFBG-QAPCUYQASA-N 2 1 290.451 3.084 20 0 CGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000361110808 393674609 /nfs/dbraw/zinc/67/46/09/393674609.db2.gz QYZMSZPFVGWFBG-QAPCUYQASA-N 2 1 290.451 3.084 20 0 CGADMP Clc1ccc2cccnc2c1C[NH2+]CCC[NH2+]C1CC1 ZINC000666990252 542831887 /nfs/dbraw/zinc/83/18/87/542831887.db2.gz DBFPGIUCEXMOQP-UHFFFAOYSA-N 2 1 289.810 3.120 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000502700501 393883247 /nfs/dbraw/zinc/88/32/47/393883247.db2.gz WTMVYZVMPIDPLN-OWSLCNJRSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ncc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)n1C ZINC000667462599 542870678 /nfs/dbraw/zinc/87/06/78/542870678.db2.gz NMVSCCDJKPMCPK-UHFFFAOYSA-N 2 1 297.324 3.379 20 0 CGADMP Cc1ncc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)n1C ZINC000667462599 542870682 /nfs/dbraw/zinc/87/06/82/542870682.db2.gz NMVSCCDJKPMCPK-UHFFFAOYSA-N 2 1 297.324 3.379 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000548488577 289008933 /nfs/dbraw/zinc/00/89/33/289008933.db2.gz PFBNASNQCXSQML-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCCC2(F)F)CC1 ZINC000450472681 393997719 /nfs/dbraw/zinc/99/77/19/393997719.db2.gz XYMAMIAISHIUAZ-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCCC2(F)F)CC1 ZINC000450472681 393997721 /nfs/dbraw/zinc/99/77/21/393997721.db2.gz XYMAMIAISHIUAZ-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)C2CCC2)CCCC1 ZINC000453072593 394161602 /nfs/dbraw/zinc/16/16/02/394161602.db2.gz DRRMIATUDOLHSW-OAHLLOKOSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453390681 394228584 /nfs/dbraw/zinc/22/85/84/394228584.db2.gz DAXZERLEUBIZAR-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H]1CCCF)C1CC1 ZINC000453403810 394235343 /nfs/dbraw/zinc/23/53/43/394235343.db2.gz OZBGJZREHYPEJT-ZBFHGGJFSA-N 2 1 270.436 3.369 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2ccccc2C1)C1CC1 ZINC000453405310 394235964 /nfs/dbraw/zinc/23/59/64/394235964.db2.gz BRADOROZCDAXAA-QGZVFWFLSA-N 2 1 272.436 3.008 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1(C)C ZINC000453410034 394237561 /nfs/dbraw/zinc/23/75/61/394237561.db2.gz UPIJSOWJYVIAON-DLBZAZTESA-N 2 1 296.499 3.290 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453428066 394243723 /nfs/dbraw/zinc/24/37/23/394243723.db2.gz OZNLREDHVOHUGF-ZDUSSCGKSA-N 2 1 250.386 3.113 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C\c1ccc(F)c(F)c1)C1CC1 ZINC000453594335 394252341 /nfs/dbraw/zinc/25/23/41/394252341.db2.gz IBFYFAAAQFLCOZ-PLNGDYQASA-N 2 1 294.389 3.442 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)n1C ZINC000667543330 542886850 /nfs/dbraw/zinc/88/68/50/542886850.db2.gz XJQDOWFUNSFNGH-MRXNPFEDSA-N 2 1 287.382 3.075 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000667666790 542912684 /nfs/dbraw/zinc/91/26/84/542912684.db2.gz YBWDZNKRFBGPLQ-XJKSGUPXSA-N 2 1 296.480 3.057 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000667666790 542912688 /nfs/dbraw/zinc/91/26/88/542912688.db2.gz YBWDZNKRFBGPLQ-XJKSGUPXSA-N 2 1 296.480 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000667666790 542912690 /nfs/dbraw/zinc/91/26/90/542912690.db2.gz YBWDZNKRFBGPLQ-XJKSGUPXSA-N 2 1 296.480 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000667666790 542912692 /nfs/dbraw/zinc/91/26/92/542912692.db2.gz YBWDZNKRFBGPLQ-XJKSGUPXSA-N 2 1 296.480 3.057 20 0 CGADMP CCOc1ccc(CN2CC[C@H](C[N@@H+](C)CC)C2)c(C)c1 ZINC000667681262 542915293 /nfs/dbraw/zinc/91/52/93/542915293.db2.gz DWRUUFLXAXAZOW-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c(C)c1 ZINC000667681262 542915294 /nfs/dbraw/zinc/91/52/94/542915294.db2.gz DWRUUFLXAXAZOW-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c(C)c1 ZINC000667681262 542915296 /nfs/dbraw/zinc/91/52/96/542915296.db2.gz DWRUUFLXAXAZOW-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c(C)c1 ZINC000667681262 542915298 /nfs/dbraw/zinc/91/52/98/542915298.db2.gz DWRUUFLXAXAZOW-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c(C)c1 ZINC000667681262 542915299 /nfs/dbraw/zinc/91/52/99/542915299.db2.gz DWRUUFLXAXAZOW-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667786444 542928488 /nfs/dbraw/zinc/92/84/88/542928488.db2.gz QPGSCAXLIGMWLH-VVLHAWIVSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667786584 542929417 /nfs/dbraw/zinc/92/94/17/542929417.db2.gz VLCAPEQMTSEVEZ-WCXIOVBPSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668097034 542969334 /nfs/dbraw/zinc/96/93/34/542969334.db2.gz WTRNXCAAESSRJK-CYBMUJFWSA-N 2 1 261.413 3.087 20 0 CGADMP Cc1cccc2[nH]c(CN3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc21 ZINC000668172987 542980244 /nfs/dbraw/zinc/98/02/44/542980244.db2.gz YULPCONRDQVFNS-KXBFYZLASA-N 2 1 297.446 3.392 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784529 543061741 /nfs/dbraw/zinc/06/17/41/543061741.db2.gz DXUOQMYLNFELIF-BZSNNMDCSA-N 2 1 294.483 3.021 20 0 CGADMP Cc1ccc(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405052 292095157 /nfs/dbraw/zinc/09/51/57/292095157.db2.gz SOKRFWOBCPXKIB-MSOLQXFVSA-N 2 1 272.436 3.002 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917820 397609494 /nfs/dbraw/zinc/60/94/94/397609494.db2.gz YDLMWXINGKCZNX-CGNNYBMUSA-N 2 1 270.420 3.164 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000300417704 397673379 /nfs/dbraw/zinc/67/33/79/397673379.db2.gz ZFBZKWGRPIOCIO-WMLDXEAASA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000300417704 397673382 /nfs/dbraw/zinc/67/33/82/397673382.db2.gz ZFBZKWGRPIOCIO-WMLDXEAASA-N 2 1 276.399 3.098 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC000674334428 543281439 /nfs/dbraw/zinc/28/14/39/543281439.db2.gz JWTGVRDBPFJPEP-CQSZACIVSA-N 2 1 283.419 3.495 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)[C@H]1CC[NH3+] ZINC000650711245 397899278 /nfs/dbraw/zinc/89/92/78/397899278.db2.gz MVKYHBMYHIFKMA-KDOFPFPSSA-N 2 1 298.434 3.026 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC2CCCCCC2)C1 ZINC000650723530 397902674 /nfs/dbraw/zinc/90/26/74/397902674.db2.gz PSSQPZNVLLBEMU-KZNAEPCWSA-N 2 1 294.483 3.318 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(F)ccc1F ZINC000650752008 397908809 /nfs/dbraw/zinc/90/88/09/397908809.db2.gz HFECANSOSNRCJA-JTQLQIEISA-N 2 1 294.320 3.413 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Cl)cn1 ZINC000650754773 397909021 /nfs/dbraw/zinc/90/90/21/397909021.db2.gz QGLVAPPNJHJVGX-SNVBAGLBSA-N 2 1 293.773 3.184 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC000674876198 543302714 /nfs/dbraw/zinc/30/27/14/543302714.db2.gz HXESBCVIWSJHLF-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000674876198 543302717 /nfs/dbraw/zinc/30/27/17/543302717.db2.gz HXESBCVIWSJHLF-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC000674876198 543302720 /nfs/dbraw/zinc/30/27/20/543302720.db2.gz HXESBCVIWSJHLF-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC000675740478 543359460 /nfs/dbraw/zinc/35/94/60/543359460.db2.gz KWHMUQIREAFUIS-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882648 543370199 /nfs/dbraw/zinc/37/01/99/543370199.db2.gz TZZVOAAEOFGGHO-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000676211644 543387237 /nfs/dbraw/zinc/38/72/37/543387237.db2.gz CRWDWDLSAWDKJV-KGLIPLIRSA-N 2 1 268.470 3.389 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000676211644 543387240 /nfs/dbraw/zinc/38/72/40/543387240.db2.gz CRWDWDLSAWDKJV-KGLIPLIRSA-N 2 1 268.470 3.389 20 0 CGADMP CC(C)(C)OCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712135 543411829 /nfs/dbraw/zinc/41/18/29/543411829.db2.gz GCNYLENPFWUUIR-RDJZCZTQSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)(C)OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712135 543411830 /nfs/dbraw/zinc/41/18/30/543411830.db2.gz GCNYLENPFWUUIR-RDJZCZTQSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)(C)OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676712135 543411832 /nfs/dbraw/zinc/41/18/32/543411832.db2.gz GCNYLENPFWUUIR-RDJZCZTQSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238040 543440418 /nfs/dbraw/zinc/44/04/18/543440418.db2.gz VBFYZUNPSVOTBA-SJORKVTESA-N 2 1 286.463 3.489 20 0 CGADMP CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678179349 543491467 /nfs/dbraw/zinc/49/14/67/543491467.db2.gz JIAUPSSTUKAKKP-MRXNPFEDSA-N 2 1 290.451 3.249 20 0 CGADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000122487622 286050336 /nfs/dbraw/zinc/05/03/36/286050336.db2.gz VBXVFHIJGQPCKE-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000678589157 543538561 /nfs/dbraw/zinc/53/85/61/543538561.db2.gz BHGZNTRDSTWKHA-HNNXBMFYSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000678589158 543538694 /nfs/dbraw/zinc/53/86/94/543538694.db2.gz BHGZNTRDSTWKHA-OAHLLOKOSA-N 2 1 280.843 3.345 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000678596966 543540139 /nfs/dbraw/zinc/54/01/39/543540139.db2.gz XPCLNSXVRXYRQW-DVOMOZLQSA-N 2 1 296.842 3.100 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423365100 297108058 /nfs/dbraw/zinc/10/80/58/297108058.db2.gz CVGOZXQBWJIIFK-UGFHNGPFSA-N 2 1 294.826 3.141 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000422804248 292261085 /nfs/dbraw/zinc/26/10/85/292261085.db2.gz DZCPCLSYNUGNLK-XYPHTWIQSA-N 2 1 258.409 3.176 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414666307 286362269 /nfs/dbraw/zinc/36/22/69/286362269.db2.gz GCOZWJHYNQGFAB-DAYGRLMNSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccncc1 ZINC000037901098 287023523 /nfs/dbraw/zinc/02/35/23/287023523.db2.gz ZOHWFVZWBJYKII-OAHLLOKOSA-N 2 1 275.440 3.387 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccncc1 ZINC000037901098 287023524 /nfs/dbraw/zinc/02/35/24/287023524.db2.gz ZOHWFVZWBJYKII-OAHLLOKOSA-N 2 1 275.440 3.387 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccccc2)[C@H](C)C1 ZINC000081096628 287070978 /nfs/dbraw/zinc/07/09/78/287070978.db2.gz XLHUXSVSEVGGCX-AEFFLSMTSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccccc2)[C@H](C)C1 ZINC000081096628 287070981 /nfs/dbraw/zinc/07/09/81/287070981.db2.gz XLHUXSVSEVGGCX-AEFFLSMTSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2ccccc2)[C@H](C)C1 ZINC000081096628 287070984 /nfs/dbraw/zinc/07/09/84/287070984.db2.gz XLHUXSVSEVGGCX-AEFFLSMTSA-N 2 1 290.451 3.118 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC000081572492 287074463 /nfs/dbraw/zinc/07/44/63/287074463.db2.gz HEFLIBIWIHHWBP-QGZVFWFLSA-N 2 1 290.451 3.119 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000081572492 287074464 /nfs/dbraw/zinc/07/44/64/287074464.db2.gz HEFLIBIWIHHWBP-QGZVFWFLSA-N 2 1 290.451 3.119 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)cccc2C)[C@H](C)C1 ZINC000090469055 287101848 /nfs/dbraw/zinc/10/18/48/287101848.db2.gz FPBPBEPRMLSCFF-SJLPKXTDSA-N 2 1 274.452 3.166 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000090340189 165232940 /nfs/dbraw/zinc/23/29/40/165232940.db2.gz UPHAWYWFKYQQRF-GDBMZVCRSA-N 2 1 276.424 3.220 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000092566410 165303108 /nfs/dbraw/zinc/30/31/08/165303108.db2.gz NYAFLZKXRFBMIK-ZBFHGGJFSA-N 2 1 263.429 3.388 20 0 CGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)CC(C)(C)C[NH3+] ZINC000093873187 165337479 /nfs/dbraw/zinc/33/74/79/165337479.db2.gz VDSHJDDOURHAEK-UHFFFAOYSA-N 2 1 274.330 3.122 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873052 165338164 /nfs/dbraw/zinc/33/81/64/165338164.db2.gz YGYCEMWJGHPFOI-JTQLQIEISA-N 2 1 272.795 3.457 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522158 165353162 /nfs/dbraw/zinc/35/31/62/165353162.db2.gz WOXAZPIVQBKVEX-AWEZNQCLSA-N 2 1 258.409 3.125 20 0 CGADMP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000093067049 287114811 /nfs/dbraw/zinc/11/48/11/287114811.db2.gz PZZUGLBGEDLWAN-WMZOPIPTSA-N 2 1 274.452 3.187 20 0 CGADMP CC(C)CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCCC1 ZINC000094848934 165395313 /nfs/dbraw/zinc/39/53/13/165395313.db2.gz WGPVSQLXKVONEI-UHFFFAOYSA-N 2 1 294.443 3.054 20 0 CGADMP COc1ncc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1Cl ZINC000284259179 196015427 /nfs/dbraw/zinc/01/54/27/196015427.db2.gz IVWWNJYTBCHJPD-LBPRGKRZSA-N 2 1 299.846 3.125 20 0 CGADMP COc1ncc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1Cl ZINC000284259179 196015428 /nfs/dbraw/zinc/01/54/28/196015428.db2.gz IVWWNJYTBCHJPD-LBPRGKRZSA-N 2 1 299.846 3.125 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CC1CCCCC1)CC[NH2+]CC2 ZINC000424284165 287237073 /nfs/dbraw/zinc/23/70/73/287237073.db2.gz CWCZEBBDAQMDJV-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2(O)CCC2)cc1 ZINC000284448310 196058632 /nfs/dbraw/zinc/05/86/32/196058632.db2.gz UBVRHQQROVCUNJ-CQSZACIVSA-N 2 1 299.418 3.136 20 0 CGADMP CCOc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000020128698 171015888 /nfs/dbraw/zinc/01/58/88/171015888.db2.gz XLSKCQGXMSSECQ-UHFFFAOYSA-N 2 1 276.424 3.051 20 0 CGADMP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037266957 173076199 /nfs/dbraw/zinc/07/61/99/173076199.db2.gz MHCFPODAEMIAAP-QGZVFWFLSA-N 2 1 260.425 3.384 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000038041847 174044620 /nfs/dbraw/zinc/04/46/20/174044620.db2.gz SCSQRYPCGCGMKI-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000071142061 176040044 /nfs/dbraw/zinc/04/00/44/176040044.db2.gz AJLLBAHEKNRLOJ-HNNXBMFYSA-N 2 1 260.425 3.025 20 0 CGADMP CC(C)C[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000129257087 287327600 /nfs/dbraw/zinc/32/76/00/287327600.db2.gz POVNFDGWSDZQTA-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000129257087 287327601 /nfs/dbraw/zinc/32/76/01/287327601.db2.gz POVNFDGWSDZQTA-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000129257087 287327603 /nfs/dbraw/zinc/32/76/03/287327603.db2.gz POVNFDGWSDZQTA-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C(F)F)c1)C2 ZINC000312934313 416534644 /nfs/dbraw/zinc/53/46/44/416534644.db2.gz FKHXLHUHSDFCNZ-HOCLYGCPSA-N 2 1 280.362 3.185 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000314667798 416538022 /nfs/dbraw/zinc/53/80/22/416538022.db2.gz IULQBSSMLVTEED-JTQLQIEISA-N 2 1 283.828 3.418 20 0 CGADMP C[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402868226 416548648 /nfs/dbraw/zinc/54/86/48/416548648.db2.gz XQHMPEBAESVHFQ-MKBNYLNASA-N 2 1 280.362 3.087 20 0 CGADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402868226 416548650 /nfs/dbraw/zinc/54/86/50/416548650.db2.gz XQHMPEBAESVHFQ-MKBNYLNASA-N 2 1 280.362 3.087 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCCC2CCOCC2)[C@@H]1CC[NH3+] ZINC000404258714 416551535 /nfs/dbraw/zinc/55/15/35/416551535.db2.gz CJAQKKDCXDGYBR-DOTOQJQBSA-N 2 1 282.472 3.033 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)[C@H]1CC[NH3+] ZINC000404445187 416553989 /nfs/dbraw/zinc/55/39/89/416553989.db2.gz WYERGOMJTXWUJF-PBHICJAKSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)[C@H]1CC[NH3+] ZINC000404445187 416553995 /nfs/dbraw/zinc/55/39/95/416553995.db2.gz WYERGOMJTXWUJF-PBHICJAKSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC000070359498 416492310 /nfs/dbraw/zinc/49/23/10/416492310.db2.gz QJMQYKUGEWIUMP-INMHGKMJSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340725 543622672 /nfs/dbraw/zinc/62/26/72/543622672.db2.gz PUWUXAOQUGFMNT-JKSUJKDBSA-N 2 1 284.488 3.028 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340725 543622675 /nfs/dbraw/zinc/62/26/75/543622675.db2.gz PUWUXAOQUGFMNT-JKSUJKDBSA-N 2 1 284.488 3.028 20 0 CGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)n1 ZINC000679393908 543633387 /nfs/dbraw/zinc/63/33/87/543633387.db2.gz XQESEPPRDRHCMX-INIZCTEOSA-N 2 1 297.402 3.030 20 0 CGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)[nH+]1 ZINC000679393908 543633393 /nfs/dbraw/zinc/63/33/93/543633393.db2.gz XQESEPPRDRHCMX-INIZCTEOSA-N 2 1 297.402 3.030 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000130238627 287348581 /nfs/dbraw/zinc/34/85/81/287348581.db2.gz IBXZSJPUGSLVFJ-INMHGKMJSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000680340947 543700595 /nfs/dbraw/zinc/70/05/95/543700595.db2.gz RVTSBQFTFVRMFP-LMSBXDPUSA-N 2 1 294.483 3.044 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000680352968 543702716 /nfs/dbraw/zinc/70/27/16/543702716.db2.gz WJYSBHCOFKTXJH-YTQUADARSA-N 2 1 284.447 3.429 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC000682076083 543822747 /nfs/dbraw/zinc/82/27/47/543822747.db2.gz STMIXJPGFLKIRZ-APWZRJJASA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682076083 543822750 /nfs/dbraw/zinc/82/27/50/543822750.db2.gz STMIXJPGFLKIRZ-APWZRJJASA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682076083 543822751 /nfs/dbraw/zinc/82/27/51/543822751.db2.gz STMIXJPGFLKIRZ-APWZRJJASA-N 2 1 284.447 3.338 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCc2ccccc2)C[C@H]1C ZINC000682078013 543823516 /nfs/dbraw/zinc/82/35/16/543823516.db2.gz UHTSWZRZVLCUMA-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCc2ccccc2)C[C@H]1C ZINC000682078013 543823518 /nfs/dbraw/zinc/82/35/18/543823518.db2.gz UHTSWZRZVLCUMA-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCc2ccccc2)C[C@H]1C ZINC000682078013 543823519 /nfs/dbraw/zinc/82/35/19/543823519.db2.gz UHTSWZRZVLCUMA-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000682243952 543836239 /nfs/dbraw/zinc/83/62/39/543836239.db2.gz NPOBYYCVOLMGLU-AWEZNQCLSA-N 2 1 299.418 3.109 20 0 CGADMP C[C@H]1CCC[N@@H+](CCNc2cc[nH+]c3c(O)cccc23)C1 ZINC000682239347 543835938 /nfs/dbraw/zinc/83/59/38/543835938.db2.gz NZHWSMAFEPOTOU-ZDUSSCGKSA-N 2 1 285.391 3.084 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000683141274 543898901 /nfs/dbraw/zinc/89/89/01/543898901.db2.gz AYXPRHXFUNBZPZ-KRWDZBQOSA-N 2 1 294.414 3.011 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000683141274 543898903 /nfs/dbraw/zinc/89/89/03/543898903.db2.gz AYXPRHXFUNBZPZ-KRWDZBQOSA-N 2 1 294.414 3.011 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000683769348 543939766 /nfs/dbraw/zinc/93/97/66/543939766.db2.gz SEJPAHGHRPYXCL-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000683769348 543939767 /nfs/dbraw/zinc/93/97/67/543939767.db2.gz SEJPAHGHRPYXCL-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021828 543961171 /nfs/dbraw/zinc/96/11/71/543961171.db2.gz VWCTWDDKAVDBNN-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021828 543961173 /nfs/dbraw/zinc/96/11/73/543961173.db2.gz VWCTWDDKAVDBNN-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021828 543961174 /nfs/dbraw/zinc/96/11/74/543961174.db2.gz VWCTWDDKAVDBNN-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021828 543961176 /nfs/dbraw/zinc/96/11/76/543961176.db2.gz VWCTWDDKAVDBNN-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000685455223 544073591 /nfs/dbraw/zinc/07/35/91/544073591.db2.gz LQUIIGFCFIUCBS-SJLPKXTDSA-N 2 1 274.452 3.185 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1nccc2ccccc21 ZINC000684966821 544047960 /nfs/dbraw/zinc/04/79/60/544047960.db2.gz PLGPJURTSWTQKI-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1nccc2ccccc21 ZINC000684966821 544047963 /nfs/dbraw/zinc/04/79/63/544047963.db2.gz PLGPJURTSWTQKI-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000354965709 227270460 /nfs/dbraw/zinc/27/04/60/227270460.db2.gz KPIZGMFJUYROLL-BLLLJJGKSA-N 2 1 296.842 3.100 20 0 CGADMP CC[C@H](OCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000652236375 418940724 /nfs/dbraw/zinc/94/07/24/418940724.db2.gz KOAOGHKQHLJWOB-SZMVWBNQSA-N 2 1 290.451 3.227 20 0 CGADMP Cc1nc(C)c(C)c(N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000664403999 418952485 /nfs/dbraw/zinc/95/24/85/418952485.db2.gz TZVRUZNGWKOORG-HNNXBMFYSA-N 2 1 288.439 3.221 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)[C@H]1CC[NH3+] ZINC000652356270 418956217 /nfs/dbraw/zinc/95/62/17/418956217.db2.gz ZEJZSPJGCYLMGG-NEPJUHHUSA-N 2 1 266.351 3.168 20 0 CGADMP Fc1ccc2c(c1F)C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000652343733 418956615 /nfs/dbraw/zinc/95/66/15/418956615.db2.gz PLGHIZLNERICKA-UHFFFAOYSA-N 2 1 294.389 3.103 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCc2c(F)cccc2F)CC[N@@H+]1C ZINC000653564784 419049620 /nfs/dbraw/zinc/04/96/20/419049620.db2.gz LSXABYRDNJATCQ-UONOGXRCSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCc2c(F)cccc2F)CC[N@H+]1C ZINC000653564784 419049625 /nfs/dbraw/zinc/04/96/25/419049625.db2.gz LSXABYRDNJATCQ-UONOGXRCSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCc2c(F)cccc2F)CC[NH+]1C ZINC000653564784 419049629 /nfs/dbraw/zinc/04/96/29/419049629.db2.gz LSXABYRDNJATCQ-UONOGXRCSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2c(F)cccc2F)CC[NH+]1C ZINC000653564784 419049632 /nfs/dbraw/zinc/04/96/32/419049632.db2.gz LSXABYRDNJATCQ-UONOGXRCSA-N 2 1 296.405 3.312 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(C)c1OC(F)F ZINC000653279595 419023368 /nfs/dbraw/zinc/02/33/68/419023368.db2.gz RURKSYZTISXSGP-OCCSQVGLSA-N 2 1 298.377 3.216 20 0 CGADMP CCCCN(C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523002 419042024 /nfs/dbraw/zinc/04/20/24/419042024.db2.gz YYOREAQNVMHYOO-CVEARBPZSA-N 2 1 296.455 3.064 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc(C)c1F ZINC000665249184 419091995 /nfs/dbraw/zinc/09/19/95/419091995.db2.gz KSBOMORTYRHNIH-CYBMUJFWSA-N 2 1 264.388 3.365 20 0 CGADMP CC(C)(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000655771904 419093009 /nfs/dbraw/zinc/09/30/09/419093009.db2.gz QMYGZURVCIYXKB-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665256535 419093691 /nfs/dbraw/zinc/09/36/91/419093691.db2.gz DKGPVOOBDXGHBQ-NSNWQYSKSA-N 2 1 278.415 3.295 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000665274466 419098141 /nfs/dbraw/zinc/09/81/41/419098141.db2.gz QNYMTEHSGQMPDE-RKTXRCNFSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665283740 419104459 /nfs/dbraw/zinc/10/44/59/419104459.db2.gz UBGIPOQRSIYYNS-XYPHTWIQSA-N 2 1 258.409 3.103 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccccc1C)C1CCCC1 ZINC000665297684 419110286 /nfs/dbraw/zinc/11/02/86/419110286.db2.gz JUUUQCWONQNPGC-PBHICJAKSA-N 2 1 260.425 3.424 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CS1 ZINC000655690321 419066429 /nfs/dbraw/zinc/06/64/29/419066429.db2.gz LTWYVRYDFVDTQU-ZIAGYGMSSA-N 2 1 270.486 3.125 20 0 CGADMP CC(C)=CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000660115170 419079518 /nfs/dbraw/zinc/07/95/18/419079518.db2.gz LRECEDCUQBKZDC-DOTOQJQBSA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000660115170 419079521 /nfs/dbraw/zinc/07/95/21/419079521.db2.gz LRECEDCUQBKZDC-DOTOQJQBSA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000660115170 419079523 /nfs/dbraw/zinc/07/95/23/419079523.db2.gz LRECEDCUQBKZDC-DOTOQJQBSA-N 2 1 262.441 3.291 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(Cl)c1 ZINC000655941629 419129213 /nfs/dbraw/zinc/12/92/13/419129213.db2.gz XZLWUBAZXUPRNU-CQSZACIVSA-N 2 1 266.816 3.126 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000660638778 419172378 /nfs/dbraw/zinc/17/23/78/419172378.db2.gz CXQVSAUNLBQYAB-ZFWWWQNUSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000660638778 419172381 /nfs/dbraw/zinc/17/23/81/419172381.db2.gz CXQVSAUNLBQYAB-ZFWWWQNUSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000660638778 419172384 /nfs/dbraw/zinc/17/23/84/419172384.db2.gz CXQVSAUNLBQYAB-ZFWWWQNUSA-N 2 1 274.399 3.086 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660659094 419176748 /nfs/dbraw/zinc/17/67/48/419176748.db2.gz MTZKQBOEHPYNOZ-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659094 419176750 /nfs/dbraw/zinc/17/67/50/419176750.db2.gz MTZKQBOEHPYNOZ-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659094 419176752 /nfs/dbraw/zinc/17/67/52/419176752.db2.gz MTZKQBOEHPYNOZ-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000660659815 419178063 /nfs/dbraw/zinc/17/80/63/419178063.db2.gz ROCPVQKNSPCIOJ-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000660659815 419178064 /nfs/dbraw/zinc/17/80/64/419178064.db2.gz ROCPVQKNSPCIOJ-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000660659815 419178066 /nfs/dbraw/zinc/17/80/66/419178066.db2.gz ROCPVQKNSPCIOJ-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000660659815 419178068 /nfs/dbraw/zinc/17/80/68/419178068.db2.gz ROCPVQKNSPCIOJ-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC000660665509 419179921 /nfs/dbraw/zinc/17/99/21/419179921.db2.gz WLYXUNLNIZDHOR-HNNXBMFYSA-N 2 1 286.410 3.230 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000657336956 419254195 /nfs/dbraw/zinc/25/41/95/419254195.db2.gz BUTCJNCBZYVBLE-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657347755 419257061 /nfs/dbraw/zinc/25/70/61/419257061.db2.gz XAMZLLLEUZVYMA-AWEZNQCLSA-N 2 1 296.418 3.407 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657374165 419263195 /nfs/dbraw/zinc/26/31/95/419263195.db2.gz FYGKOVJUGHCXOG-UHFFFAOYSA-N 2 1 297.324 3.179 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786993 419219100 /nfs/dbraw/zinc/21/91/00/419219100.db2.gz ZAYUSQNTQHLTLM-LKJUBWIJSA-N 2 1 284.447 3.411 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789647 419221206 /nfs/dbraw/zinc/22/12/06/419221206.db2.gz UKROMYFVVFNAQW-UHFFFAOYSA-N 2 1 252.789 3.010 20 0 CGADMP Cc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1Br ZINC000656788710 419221244 /nfs/dbraw/zinc/22/12/44/419221244.db2.gz XVEVBFKNWSKEAJ-UHFFFAOYSA-N 2 1 297.240 3.119 20 0 CGADMP CCOc1ccccc1CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657524724 419296996 /nfs/dbraw/zinc/29/69/96/419296996.db2.gz QHGMOLUQEFXIQD-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP CCOc1ccccc1CNC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657524724 419296998 /nfs/dbraw/zinc/29/69/98/419296998.db2.gz QHGMOLUQEFXIQD-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661880541 419312419 /nfs/dbraw/zinc/31/24/19/419312419.db2.gz PGWPCTDXGXTNBU-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661880541 419312423 /nfs/dbraw/zinc/31/24/23/419312423.db2.gz PGWPCTDXGXTNBU-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661880541 419312427 /nfs/dbraw/zinc/31/24/27/419312427.db2.gz PGWPCTDXGXTNBU-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCC(F)CC1 ZINC000661999593 419322481 /nfs/dbraw/zinc/32/24/81/419322481.db2.gz HMXYDBQWVIGUEI-SLTXQBBLSA-N 2 1 270.436 3.367 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC3 ZINC000662304596 419388277 /nfs/dbraw/zinc/38/82/77/419388277.db2.gz BNSSQAZJHXCYSR-HNNXBMFYSA-N 2 1 297.446 3.224 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc2cnccc2o1 ZINC000657856734 419390767 /nfs/dbraw/zinc/39/07/67/419390767.db2.gz PMZHBUCVJICFTL-ZDUSSCGKSA-N 2 1 299.418 3.495 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657873051 419397747 /nfs/dbraw/zinc/39/77/47/419397747.db2.gz RCMPOCYXSNBHDD-HNNXBMFYSA-N 2 1 288.426 3.318 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657873051 419397751 /nfs/dbraw/zinc/39/77/51/419397751.db2.gz RCMPOCYXSNBHDD-HNNXBMFYSA-N 2 1 288.426 3.318 20 0 CGADMP COc1cccc(SCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000662248239 419372960 /nfs/dbraw/zinc/37/29/60/419372960.db2.gz WXNAVAPXCFVHJS-MRXNPFEDSA-N 2 1 296.480 3.093 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662246394 419373015 /nfs/dbraw/zinc/37/30/15/419373015.db2.gz RQLNYLNMAPCCGZ-CHWSQXEVSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657824875 419375138 /nfs/dbraw/zinc/37/51/38/419375138.db2.gz WKVQKPBPZUQYJQ-NSHDSACASA-N 2 1 275.421 3.041 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000662271921 419379580 /nfs/dbraw/zinc/37/95/80/419379580.db2.gz KDRGJLCBZISXGN-OAHLLOKOSA-N 2 1 260.425 3.371 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277264 419381354 /nfs/dbraw/zinc/38/13/54/419381354.db2.gz OJWCNSFFQLABQJ-IEBWSBKVSA-N 2 1 284.447 3.182 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657845672 419385113 /nfs/dbraw/zinc/38/51/13/419385113.db2.gz NUEQNQCSGBXIDO-NSHDSACASA-N 2 1 294.349 3.265 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662284837 419385685 /nfs/dbraw/zinc/38/56/85/419385685.db2.gz PXCXZXVXTNXVJC-CZUORRHYSA-N 2 1 260.425 3.296 20 0 CGADMP C([NH2+][C@H]1CCCC12CC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467273 419618820 /nfs/dbraw/zinc/61/88/20/419618820.db2.gz ZTZGPFYXUGZXRT-HOTGVXAUSA-N 2 1 262.441 3.031 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467190 419618899 /nfs/dbraw/zinc/61/88/99/419618899.db2.gz DEBMYUDKHXDKOA-NVXWUHKLSA-N 2 1 287.451 3.163 20 0 CGADMP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467274 419622079 /nfs/dbraw/zinc/62/20/79/419622079.db2.gz ZTZGPFYXUGZXRT-HZPDHXFCSA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)(C)OC1CC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663470264 419623914 /nfs/dbraw/zinc/62/39/14/419623914.db2.gz UGONSIBRAISECX-KLAILNCOSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663470577 419625563 /nfs/dbraw/zinc/62/55/63/419625563.db2.gz VHQCSZKZKVTPHD-ZFWWWQNUSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663470577 419625575 /nfs/dbraw/zinc/62/55/75/419625575.db2.gz VHQCSZKZKVTPHD-ZFWWWQNUSA-N 2 1 262.397 3.052 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H](C)C2 ZINC000658244703 419696584 /nfs/dbraw/zinc/69/65/84/419696584.db2.gz FGTMPRGMKMMWTO-DEICHXMPSA-N 2 1 272.436 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](C)C2 ZINC000658244703 419696594 /nfs/dbraw/zinc/69/65/94/419696594.db2.gz FGTMPRGMKMMWTO-DEICHXMPSA-N 2 1 272.436 3.301 20 0 CGADMP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000663734720 419699351 /nfs/dbraw/zinc/69/93/51/419699351.db2.gz BQXYACKQQNOXFG-SUMWQHHRSA-N 2 1 296.418 3.016 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(O)c1 ZINC000037786220 260118008 /nfs/dbraw/zinc/11/80/08/260118008.db2.gz UFXIMNGDQKFHEG-CYBMUJFWSA-N 2 1 276.424 3.306 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000044535511 270035928 /nfs/dbraw/zinc/03/59/28/270035928.db2.gz YZAVXRGVPYVMJO-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000044535511 270035930 /nfs/dbraw/zinc/03/59/30/270035930.db2.gz YZAVXRGVPYVMJO-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP CCCC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000044533736 270036393 /nfs/dbraw/zinc/03/63/93/270036393.db2.gz OMHVJDGSQJRRQE-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000044532781 270036499 /nfs/dbraw/zinc/03/64/99/270036499.db2.gz IQHURDRSFVZSAO-IUODEOHRSA-N 2 1 294.439 3.294 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000044532781 270036500 /nfs/dbraw/zinc/03/65/00/270036500.db2.gz IQHURDRSFVZSAO-IUODEOHRSA-N 2 1 294.439 3.294 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000044535729 270036611 /nfs/dbraw/zinc/03/66/11/270036611.db2.gz WSRBGIFETBENFK-MRXNPFEDSA-N 2 1 274.452 3.416 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044534221 270036727 /nfs/dbraw/zinc/03/67/27/270036727.db2.gz VJQZDLBQVPFJHF-HNNXBMFYSA-N 2 1 254.462 3.379 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000045692217 270038824 /nfs/dbraw/zinc/03/88/24/270038824.db2.gz VSIFEDWOXSPOFV-KTAKPFMOSA-N 2 1 278.415 3.392 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000105480861 270047604 /nfs/dbraw/zinc/04/76/04/270047604.db2.gz KUIBXQLLSNGQBK-YOEHRIQHSA-N 2 1 274.452 3.414 20 0 CGADMP CC/C=C/CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000184578582 270059125 /nfs/dbraw/zinc/05/91/25/270059125.db2.gz NRRYHTGSLDBEFO-QDLOVBKTSA-N 2 1 250.430 3.151 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CCSCC1 ZINC000187262043 270068076 /nfs/dbraw/zinc/06/80/76/270068076.db2.gz SWWPHZLLMOROML-YOEHRIQHSA-N 2 1 296.524 3.372 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCSCC1 ZINC000187262043 270068077 /nfs/dbraw/zinc/06/80/77/270068077.db2.gz SWWPHZLLMOROML-YOEHRIQHSA-N 2 1 296.524 3.372 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000187662049 270069033 /nfs/dbraw/zinc/06/90/33/270069033.db2.gz BIEGOMSNSUVATM-CQSZACIVSA-N 2 1 298.858 3.001 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000224416622 270086763 /nfs/dbraw/zinc/08/67/63/270086763.db2.gz JNHRVAIIQVBPHB-MRXNPFEDSA-N 2 1 280.843 3.129 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000224416622 270086764 /nfs/dbraw/zinc/08/67/64/270086764.db2.gz JNHRVAIIQVBPHB-MRXNPFEDSA-N 2 1 280.843 3.129 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000237552473 270090689 /nfs/dbraw/zinc/09/06/89/270090689.db2.gz XDXNDYVAABMGDB-WMLDXEAASA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000322871375 270094239 /nfs/dbraw/zinc/09/42/39/270094239.db2.gz YEPYKAIJMCSZLM-WTXIUTQJSA-N 2 1 250.430 3.170 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354174296 270095582 /nfs/dbraw/zinc/09/55/82/270095582.db2.gz BMEMINKFCCNCCT-GOSISDBHSA-N 2 1 290.426 3.306 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354174296 270095583 /nfs/dbraw/zinc/09/55/83/270095583.db2.gz BMEMINKFCCNCCT-GOSISDBHSA-N 2 1 290.426 3.306 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354174296 270095584 /nfs/dbraw/zinc/09/55/84/270095584.db2.gz BMEMINKFCCNCCT-GOSISDBHSA-N 2 1 290.426 3.306 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354174296 270095585 /nfs/dbraw/zinc/09/55/85/270095585.db2.gz BMEMINKFCCNCCT-GOSISDBHSA-N 2 1 290.426 3.306 20 0 CGADMP C[C@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCCc2ccccc21 ZINC000459490464 270096430 /nfs/dbraw/zinc/09/64/30/270096430.db2.gz YRRUJVGXNNEAAG-IBGZPJMESA-N 2 1 284.447 3.455 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000519596839 270097712 /nfs/dbraw/zinc/09/77/12/270097712.db2.gz XKOWXMLNAVUAAR-CQSZACIVSA-N 2 1 264.413 3.271 20 0 CGADMP C[C@H]1C[C@H](CC[NH2+]CC2(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000526984207 270124148 /nfs/dbraw/zinc/12/41/48/270124148.db2.gz LSNPEDCPRSFVLA-RDJZCZTQSA-N 2 1 290.426 3.379 20 0 CGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC1(F)CC1 ZINC000527219797 270126885 /nfs/dbraw/zinc/12/68/85/270126885.db2.gz MRIZDBCZGYGLBO-AWEZNQCLSA-N 2 1 287.382 3.311 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCC1 ZINC000527524120 270128289 /nfs/dbraw/zinc/12/82/89/270128289.db2.gz NGCOWKNIKLPDMT-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCC1 ZINC000527524120 270128290 /nfs/dbraw/zinc/12/82/90/270128290.db2.gz NGCOWKNIKLPDMT-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527845810 270139252 /nfs/dbraw/zinc/13/92/52/270139252.db2.gz WUZYEZHTJXNMQH-CQSZACIVSA-N 2 1 270.779 3.008 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000527846727 270139546 /nfs/dbraw/zinc/13/95/46/270139546.db2.gz MNWQRIRYOOGQAQ-MRXNPFEDSA-N 2 1 260.425 3.082 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527854214 270140098 /nfs/dbraw/zinc/14/00/98/270140098.db2.gz JEAAJKUPHSGZTM-BMIGLBTASA-N 2 1 284.806 3.396 20 0 CGADMP C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015456 270151558 /nfs/dbraw/zinc/15/15/58/270151558.db2.gz XNLPBLBZKFXJTH-CZUORRHYSA-N 2 1 274.408 3.060 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2)C[C@@H]1C ZINC000531378660 270206237 /nfs/dbraw/zinc/20/62/37/270206237.db2.gz WHMFKEKADTUYJO-WMZOPIPTSA-N 2 1 274.452 3.424 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000533272906 270222840 /nfs/dbraw/zinc/22/28/40/270222840.db2.gz QTJMDIHRLWVWQS-HNNXBMFYSA-N 2 1 275.440 3.195 20 0 CGADMP COc1cccc2c(N3CCC[C@H]([NH+](C)C)C3)cc(C)[nH+]c12 ZINC000124241119 274150086 /nfs/dbraw/zinc/15/00/86/274150086.db2.gz DHKDUNCHESCCSZ-AWEZNQCLSA-N 2 1 299.418 3.082 20 0 CGADMP C[C@@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)C[NH+](C)C ZINC000293315094 274226128 /nfs/dbraw/zinc/22/61/28/274226128.db2.gz FGIVAMDHSLZGTD-GVXVVHGQSA-N 2 1 284.494 3.461 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC1(C)C ZINC000346564211 274354938 /nfs/dbraw/zinc/35/49/38/274354938.db2.gz CMHZOVBGQYDWMQ-HYVNUMGLSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC1(C)C ZINC000346564211 274354941 /nfs/dbraw/zinc/35/49/41/274354941.db2.gz CMHZOVBGQYDWMQ-HYVNUMGLSA-N 2 1 272.436 3.285 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCS2 ZINC000038041200 274882391 /nfs/dbraw/zinc/88/23/91/274882391.db2.gz LYLIHJXPRMURGO-CYBMUJFWSA-N 2 1 282.840 3.219 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280805459 275068739 /nfs/dbraw/zinc/06/87/39/275068739.db2.gz LHLRPZVXQHIYDB-XSLAGTTESA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355343 275069194 /nfs/dbraw/zinc/06/91/94/275069194.db2.gz FEODVKLQZNYYEQ-CQSZACIVSA-N 2 1 278.399 3.488 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250540161 275069436 /nfs/dbraw/zinc/06/94/36/275069436.db2.gz VAGZOXWAFUFBLI-RYRKJORJSA-N 2 1 270.420 3.280 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423356913 275874551 /nfs/dbraw/zinc/87/45/51/275874551.db2.gz HMZGFEFRHALUHF-OCCSQVGLSA-N 2 1 262.397 3.025 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423307511 276017630 /nfs/dbraw/zinc/01/76/30/276017630.db2.gz GUUVTNHAPQQRKE-HZPDHXFCSA-N 2 1 260.425 3.158 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081636884 276151554 /nfs/dbraw/zinc/15/15/54/276151554.db2.gz JERJLCVBIYKDHI-GDBMZVCRSA-N 2 1 250.430 3.029 20 0 CGADMP CC1CCC(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339441801 276188905 /nfs/dbraw/zinc/18/89/05/276188905.db2.gz PPVMLVBHBFWFRO-JCYILVPMSA-N 2 1 264.457 3.230 20 0 CGADMP CC1CCC(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000339441801 276188906 /nfs/dbraw/zinc/18/89/06/276188906.db2.gz PPVMLVBHBFWFRO-JCYILVPMSA-N 2 1 264.457 3.230 20 0 CGADMP CC1CCC(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000339441801 276188907 /nfs/dbraw/zinc/18/89/07/276188907.db2.gz PPVMLVBHBFWFRO-JCYILVPMSA-N 2 1 264.457 3.230 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000245872893 276189441 /nfs/dbraw/zinc/18/94/41/276189441.db2.gz XBOFPDAZBSMHQU-KVDYFSNESA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H](C)C1 ZINC000294955203 276217588 /nfs/dbraw/zinc/21/75/88/276217588.db2.gz DJKNEFGRXOQGTL-XOSAIJSUSA-N 2 1 288.435 3.219 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@@H](C)C1 ZINC000294955203 276217589 /nfs/dbraw/zinc/21/75/89/276217589.db2.gz DJKNEFGRXOQGTL-XOSAIJSUSA-N 2 1 288.435 3.219 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000284399148 276225236 /nfs/dbraw/zinc/22/52/36/276225236.db2.gz NGJLMZFLVBFDIU-NJAFHUGGSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000284399148 276225239 /nfs/dbraw/zinc/22/52/39/276225239.db2.gz NGJLMZFLVBFDIU-NJAFHUGGSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000284399148 276225241 /nfs/dbraw/zinc/22/52/41/276225241.db2.gz NGJLMZFLVBFDIU-NJAFHUGGSA-N 2 1 290.451 3.036 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000353129275 276260299 /nfs/dbraw/zinc/26/02/99/276260299.db2.gz SZRAOHCBDWKQBQ-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000353129275 276260300 /nfs/dbraw/zinc/26/03/00/276260300.db2.gz SZRAOHCBDWKQBQ-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423372400 276270835 /nfs/dbraw/zinc/27/08/35/276270835.db2.gz GFORBJCQVBKQOB-VNQPRFMTSA-N 2 1 260.425 3.156 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000125298138 276399191 /nfs/dbraw/zinc/39/91/91/276399191.db2.gz FQEXQGKETLWJOH-SOUVJXGZSA-N 2 1 270.486 3.077 20 0 CGADMP CCS[C@@H]1CC[C@H]([NH+](C)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125298138 276399192 /nfs/dbraw/zinc/39/91/92/276399192.db2.gz FQEXQGKETLWJOH-SOUVJXGZSA-N 2 1 270.486 3.077 20 0 CGADMP CCS[C@@H]1CC[C@H]([NH+](C)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125298138 276399194 /nfs/dbraw/zinc/39/91/94/276399194.db2.gz FQEXQGKETLWJOH-SOUVJXGZSA-N 2 1 270.486 3.077 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)C1CCCCC1)[NH+]1CCCC1 ZINC000474471408 276425057 /nfs/dbraw/zinc/42/50/57/276425057.db2.gz BJHDDOGYSBTTPT-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000035047607 277031685 /nfs/dbraw/zinc/03/16/85/277031685.db2.gz KKNZYLROTCHEKM-AWEZNQCLSA-N 2 1 280.412 3.046 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCCC2)C1 ZINC000370496641 277043851 /nfs/dbraw/zinc/04/38/51/277043851.db2.gz SDFOABZIAPURPB-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC2(CCCC2)C1 ZINC000370496641 277043852 /nfs/dbraw/zinc/04/38/52/277043852.db2.gz SDFOABZIAPURPB-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC2(CCCC2)C1 ZINC000370496641 277043853 /nfs/dbraw/zinc/04/38/53/277043853.db2.gz SDFOABZIAPURPB-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC2(CCCCC2)C1 ZINC000125134460 277061450 /nfs/dbraw/zinc/06/14/50/277061450.db2.gz PLCQNDBNSXKVMO-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC2(CCCCC2)C1 ZINC000125134460 277061451 /nfs/dbraw/zinc/06/14/51/277061451.db2.gz PLCQNDBNSXKVMO-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000125134460 277061452 /nfs/dbraw/zinc/06/14/52/277061452.db2.gz PLCQNDBNSXKVMO-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000125134460 277061453 /nfs/dbraw/zinc/06/14/53/277061453.db2.gz PLCQNDBNSXKVMO-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000337523103 277237593 /nfs/dbraw/zinc/23/75/93/277237593.db2.gz QQFHAKWVFVKRNI-FGTMMUONSA-N 2 1 296.499 3.293 20 0 CGADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446750211 277262036 /nfs/dbraw/zinc/26/20/36/277262036.db2.gz FWSWJRNSBYZCBN-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000430598299 277275616 /nfs/dbraw/zinc/27/56/16/277275616.db2.gz CGYUOYNTQBSCSZ-XHSDSOJGSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[NH+]1CCCC1 ZINC000337996574 277898312 /nfs/dbraw/zinc/89/83/12/277898312.db2.gz PXLZAKRFJCSXIO-IKGGRYGDSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC000120977190 278025299 /nfs/dbraw/zinc/02/52/99/278025299.db2.gz QATWSJOBJKRUEV-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397628191 288025635 /nfs/dbraw/zinc/02/56/35/288025635.db2.gz STFBFNMBRUNAKB-ZKXZWOTCSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000414948024 278250549 /nfs/dbraw/zinc/25/05/49/278250549.db2.gz WJWWLVROJZKCFQ-QFBILLFUSA-N 2 1 282.431 3.167 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340471331 278343967 /nfs/dbraw/zinc/34/39/67/278343967.db2.gz VAXXHEGQZBRGDP-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000149414030 278378592 /nfs/dbraw/zinc/37/85/92/278378592.db2.gz WTLNXHNORRGAMN-SUMWQHHRSA-N 2 1 258.409 3.309 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422958578 278504623 /nfs/dbraw/zinc/50/46/23/278504623.db2.gz PNRJBRFCIGBHEW-MXASKKJJSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423066445 278939716 /nfs/dbraw/zinc/93/97/16/278939716.db2.gz DPCJKWFUXDQGLA-BZUAXINKSA-N 2 1 274.408 3.068 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000423378839 288091703 /nfs/dbraw/zinc/09/17/03/288091703.db2.gz WSYBMZYSYIIRJX-COXVUDFISA-N 2 1 294.389 3.189 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000423378840 288091968 /nfs/dbraw/zinc/09/19/68/288091968.db2.gz WSYBMZYSYIIRJX-JQFCIGGWSA-N 2 1 294.389 3.189 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC2(CCCC2)CC1 ZINC000338309559 279094139 /nfs/dbraw/zinc/09/41/39/279094139.db2.gz WCTZKZPPRRUUKH-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000284583706 279125055 /nfs/dbraw/zinc/12/50/55/279125055.db2.gz ZTBJHVOVAZCSNG-FUHWJXTLSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000284583706 279125056 /nfs/dbraw/zinc/12/50/56/279125056.db2.gz ZTBJHVOVAZCSNG-FUHWJXTLSA-N 2 1 290.451 3.038 20 0 CGADMP C[C@@](C[NH3+])([NH2+]CCSc1ccc(Cl)cc1)C1CC1 ZINC000430559595 279149085 /nfs/dbraw/zinc/14/90/85/279149085.db2.gz DRWQWGDZIPYDLS-AWEZNQCLSA-N 2 1 284.856 3.149 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)n1 ZINC000359379543 279157464 /nfs/dbraw/zinc/15/74/64/279157464.db2.gz ANSBVCSTRQCFPI-KGLIPLIRSA-N 2 1 290.455 3.009 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)n1 ZINC000359379543 279157467 /nfs/dbraw/zinc/15/74/67/279157467.db2.gz ANSBVCSTRQCFPI-KGLIPLIRSA-N 2 1 290.455 3.009 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000423333963 279298416 /nfs/dbraw/zinc/29/84/16/279298416.db2.gz RYYDWSOJEXZVAY-RNCFNFMXSA-N 2 1 297.240 3.108 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000122218223 279349748 /nfs/dbraw/zinc/34/97/48/279349748.db2.gz VMPFWVINHVFILC-GDBMZVCRSA-N 2 1 276.424 3.369 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000036908224 279350958 /nfs/dbraw/zinc/35/09/58/279350958.db2.gz SVQDQGQKRDKHMJ-PNBKFKSVSA-N 2 1 260.425 3.108 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CCCCC1 ZINC000414855547 279647312 /nfs/dbraw/zinc/64/73/12/279647312.db2.gz WYFPNQJVLSBZEL-ZACQAIPSSA-N 2 1 264.457 3.452 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000178038613 288160452 /nfs/dbraw/zinc/16/04/52/288160452.db2.gz BPVIOYJZTISAJQ-WCXIOVBPSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccsc2S1 ZINC000423352876 280010690 /nfs/dbraw/zinc/01/06/90/280010690.db2.gz AOQVDIUROROSLX-LOWVWBTDSA-N 2 1 282.478 3.405 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000459738477 280010721 /nfs/dbraw/zinc/01/07/21/280010721.db2.gz RVIAARXRHPPUSJ-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000037408377 280010775 /nfs/dbraw/zinc/01/07/75/280010775.db2.gz IKWSLUFYBODTAR-KKUMJFAQSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414651356 280174085 /nfs/dbraw/zinc/17/40/85/280174085.db2.gz CFQJJOBJSLTYNJ-XWSJACJDSA-N 2 1 284.447 3.323 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414651356 280174086 /nfs/dbraw/zinc/17/40/86/280174086.db2.gz CFQJJOBJSLTYNJ-XWSJACJDSA-N 2 1 284.447 3.323 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccnc1 ZINC000247101081 280255316 /nfs/dbraw/zinc/25/53/16/280255316.db2.gz OPWRVEJIMGYUEU-XYVMCAHJSA-N 2 1 289.467 3.140 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251930036 280266123 /nfs/dbraw/zinc/26/61/23/280266123.db2.gz ZENMTQXIBHWHNQ-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415067391 280808529 /nfs/dbraw/zinc/80/85/29/280808529.db2.gz PBFNCAMUALWCOA-CRAIPNDOSA-N 2 1 274.452 3.423 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)[C@H](C)C2 ZINC000180095315 281092448 /nfs/dbraw/zinc/09/24/48/281092448.db2.gz WIORRIUXJWBBHJ-VCBZYWHSSA-N 2 1 284.447 3.302 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1c[nH+]ccc1N ZINC000530213478 288300508 /nfs/dbraw/zinc/30/05/08/288300508.db2.gz VUMAIIXWULRYKM-OLZOCXBDSA-N 2 1 261.413 3.361 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000189370892 281292249 /nfs/dbraw/zinc/29/22/49/281292249.db2.gz ZYUZDWCXZGYSNX-XOSAIJSUSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000189370892 281292253 /nfs/dbraw/zinc/29/22/53/281292253.db2.gz ZYUZDWCXZGYSNX-XOSAIJSUSA-N 2 1 288.435 3.137 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000530953003 288320316 /nfs/dbraw/zinc/32/03/16/288320316.db2.gz NBDBXFSNHFTDOX-WMZOPIPTSA-N 2 1 290.451 3.382 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1(CC)CC ZINC000532249994 288358735 /nfs/dbraw/zinc/35/87/35/288358735.db2.gz KYDQGQBYTUBRGI-VVLHAWIVSA-N 2 1 296.499 3.290 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000550887439 289088964 /nfs/dbraw/zinc/08/89/64/289088964.db2.gz QFNUABHYNFTTBT-PMPSAXMXSA-N 2 1 250.430 3.195 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000550887439 289088966 /nfs/dbraw/zinc/08/89/66/289088966.db2.gz QFNUABHYNFTTBT-PMPSAXMXSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC2(C)C)C1 ZINC000551789485 289132769 /nfs/dbraw/zinc/13/27/69/289132769.db2.gz OQAAOKNGWHOCKM-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC2(C)C)C1 ZINC000551789485 289132773 /nfs/dbraw/zinc/13/27/73/289132773.db2.gz OQAAOKNGWHOCKM-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CC4)[C@H]3C2)cc1 ZINC000552235474 289173647 /nfs/dbraw/zinc/17/36/47/289173647.db2.gz IPNSSTNUWWSWHV-YTQUADARSA-N 2 1 284.447 3.429 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000552256283 289175948 /nfs/dbraw/zinc/17/59/48/289175948.db2.gz BLEYWDMUSCYJOL-HUUCEWRRSA-N 2 1 278.440 3.033 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000552256283 289175950 /nfs/dbraw/zinc/17/59/50/289175950.db2.gz BLEYWDMUSCYJOL-HUUCEWRRSA-N 2 1 278.440 3.033 20 0 CGADMP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000552282099 289178479 /nfs/dbraw/zinc/17/84/79/289178479.db2.gz VVBLDPUDFLZGRM-ZNMIVQPWSA-N 2 1 252.446 3.131 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554049600 289253620 /nfs/dbraw/zinc/25/36/20/289253620.db2.gz UHJWFOIKUDFMAC-RTBURBONSA-N 2 1 284.447 3.429 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000554362742 289275442 /nfs/dbraw/zinc/27/54/42/289275442.db2.gz ZAUZXOYUSHSXPB-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554364283 289275954 /nfs/dbraw/zinc/27/59/54/289275954.db2.gz XJZXWZDVURQEFS-RLLQIKCJSA-N 2 1 298.474 3.329 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000556583734 289398409 /nfs/dbraw/zinc/39/84/09/289398409.db2.gz KWKFBROJHFESPD-CABCVRRESA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCC(F)(F)CC1 ZINC000353277939 290019383 /nfs/dbraw/zinc/01/93/83/290019383.db2.gz YJNVBWPLNWTQMA-NWANDNLSSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCC(F)(F)CC1 ZINC000353277939 290019386 /nfs/dbraw/zinc/01/93/86/290019386.db2.gz YJNVBWPLNWTQMA-NWANDNLSSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC(F)(F)CC1 ZINC000353285184 290019449 /nfs/dbraw/zinc/01/94/49/290019449.db2.gz ATLAEDUYVVXWIB-CFVMTHIKSA-N 2 1 286.410 3.417 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+](C)C)CCCS2 ZINC000187680787 295274021 /nfs/dbraw/zinc/27/40/21/295274021.db2.gz YBZVJRFQBKQURZ-OAHLLOKOSA-N 2 1 294.464 3.164 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000226541250 299000295 /nfs/dbraw/zinc/00/02/95/299000295.db2.gz PZQGKBNPMGTSAM-SRVKXCTJSA-N 2 1 252.789 3.070 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)CCCO2 ZINC000423397660 301213628 /nfs/dbraw/zinc/21/36/28/301213628.db2.gz USZTWKDXLXHTQM-HLLBOEOZSA-N 2 1 288.435 3.247 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422710350 302199598 /nfs/dbraw/zinc/19/95/98/302199598.db2.gz LSTVYPDDXNESIA-XOKHGSTOSA-N 2 1 258.409 3.176 20 0 CGADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000166201861 321907219 /nfs/dbraw/zinc/90/72/19/321907219.db2.gz LUYVPHOWNFEYQH-YOEHRIQHSA-N 2 1 274.452 3.283 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000563324752 321990200 /nfs/dbraw/zinc/99/02/00/321990200.db2.gz YXRDEXXVNXRPTD-SJLPKXTDSA-N 2 1 272.436 3.429 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000564007807 322018065 /nfs/dbraw/zinc/01/80/65/322018065.db2.gz NLEMURSTSUGURM-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000564007807 322018062 /nfs/dbraw/zinc/01/80/62/322018062.db2.gz NLEMURSTSUGURM-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000564341248 322028315 /nfs/dbraw/zinc/02/83/15/322028315.db2.gz AGNUQDRCYYAGSX-HNNXBMFYSA-N 2 1 271.408 3.320 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@H](C)C[N@@H+](C)C(C)C)c2c1 ZINC000564563639 322034304 /nfs/dbraw/zinc/03/43/04/322034304.db2.gz SOFUTJIUEZGDJA-CQSZACIVSA-N 2 1 271.408 3.106 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000564970217 322051815 /nfs/dbraw/zinc/05/18/15/322051815.db2.gz JLUFLGDUXZAPDK-KSZLIROESA-N 2 1 272.436 3.112 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000564970285 322051820 /nfs/dbraw/zinc/05/18/20/322051820.db2.gz JLUFLGDUXZAPDK-RCCFBDPRSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000565357369 322074526 /nfs/dbraw/zinc/07/45/26/322074526.db2.gz KGIBQBJQDLHRCH-CQSZACIVSA-N 2 1 282.428 3.340 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000565508400 322080437 /nfs/dbraw/zinc/08/04/37/322080437.db2.gz SZTQYYFPOQMULT-BPQIPLTHSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000565587700 322083021 /nfs/dbraw/zinc/08/30/21/322083021.db2.gz HMVQQYLEVGBYMG-CBBWQLFWSA-N 2 1 278.465 3.172 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000565697138 322087283 /nfs/dbraw/zinc/08/72/83/322087283.db2.gz YWYUCGHZEGYHAB-MRXNPFEDSA-N 2 1 285.435 3.453 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000565697138 322087284 /nfs/dbraw/zinc/08/72/84/322087284.db2.gz YWYUCGHZEGYHAB-MRXNPFEDSA-N 2 1 285.435 3.453 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230453 322110435 /nfs/dbraw/zinc/11/04/35/322110435.db2.gz WUBNLGOWWUPJLU-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230453 322110437 /nfs/dbraw/zinc/11/04/37/322110437.db2.gz WUBNLGOWWUPJLU-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566331526 322116653 /nfs/dbraw/zinc/11/66/53/322116653.db2.gz UWXHHIHWECVUMS-HPBDAGMYSA-N 2 1 290.426 3.377 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](CCCc1cncn1C)C(C)(C)C2 ZINC000566805449 322138863 /nfs/dbraw/zinc/13/88/63/322138863.db2.gz QPHCPWDRIKSXGS-UHFFFAOYSA-N 2 1 297.446 3.498 20 0 CGADMP Cc1nsc(C)c1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000567062395 322149062 /nfs/dbraw/zinc/14/90/62/322149062.db2.gz ICUJQABERCOMPL-CQSZACIVSA-N 2 1 281.469 3.066 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)CC(C)C ZINC000567188820 322153587 /nfs/dbraw/zinc/15/35/87/322153587.db2.gz UFEAGZKSNQYTGO-HZMVEIRTSA-N 2 1 284.488 3.289 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000568269471 322201794 /nfs/dbraw/zinc/20/17/94/322201794.db2.gz MFJSCNCHRGQDHQ-DLBZAZTESA-N 2 1 296.499 3.172 20 0 CGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccccc2)CC1 ZINC000569137911 322236427 /nfs/dbraw/zinc/23/64/27/322236427.db2.gz PWAOUSXZKSQBPA-UHFFFAOYSA-N 2 1 283.419 3.232 20 0 CGADMP COc1ccc([C@H]([NH2+]CCCc2c[nH+]cn2C)C2CC2)cc1 ZINC000569234708 322240456 /nfs/dbraw/zinc/24/04/56/322240456.db2.gz IAYDTXHJUQGGKD-GOSISDBHSA-N 2 1 299.418 3.102 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000569339408 322244035 /nfs/dbraw/zinc/24/40/35/322244035.db2.gz BHIVHGXECMBCFG-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000569339408 322244036 /nfs/dbraw/zinc/24/40/36/322244036.db2.gz BHIVHGXECMBCFG-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000569544262 322249783 /nfs/dbraw/zinc/24/97/83/322249783.db2.gz WRZTUABMXRLMJC-QGZVFWFLSA-N 2 1 286.463 3.385 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2ccccc21 ZINC000569592330 322251443 /nfs/dbraw/zinc/25/14/43/322251443.db2.gz ASEWMGODVRAQGX-MJGOQNOKSA-N 2 1 293.414 3.279 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(-c2ccncc2)c1 ZINC000570271901 322269353 /nfs/dbraw/zinc/26/93/53/322269353.db2.gz NHGUZYJSWMDXQM-UGSOOPFHSA-N 2 1 281.403 3.137 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000571632558 322303777 /nfs/dbraw/zinc/30/37/77/322303777.db2.gz YJBRAYSSCQXMAG-XHDPSFHLSA-N 2 1 266.816 3.290 20 0 CGADMP COc1cccc2c1CCC[C@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000572234650 322326181 /nfs/dbraw/zinc/32/61/81/322326181.db2.gz VNTXYLWEJGWCHQ-IAGOWNOFSA-N 2 1 288.435 3.180 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1Cc2ccccc2C1 ZINC000573028889 322366789 /nfs/dbraw/zinc/36/67/89/322366789.db2.gz NBHDQPAYBWXQMY-IBGZPJMESA-N 2 1 286.463 3.208 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1Cc2ccccc2C1 ZINC000573028889 322366793 /nfs/dbraw/zinc/36/67/93/322366793.db2.gz NBHDQPAYBWXQMY-IBGZPJMESA-N 2 1 286.463 3.208 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1Cc2ccccc2C1 ZINC000573028889 322366796 /nfs/dbraw/zinc/36/67/96/322366796.db2.gz NBHDQPAYBWXQMY-IBGZPJMESA-N 2 1 286.463 3.208 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)c2ccccc12 ZINC000573249316 322378180 /nfs/dbraw/zinc/37/81/80/322378180.db2.gz DSKUCSWYAVZIQS-UHFFFAOYSA-N 2 1 286.419 3.232 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000389014719 328602829 /nfs/dbraw/zinc/60/28/29/328602829.db2.gz XOKBSALYFSDFAH-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CC[N@H+]1C ZINC000394574303 329123384 /nfs/dbraw/zinc/12/33/84/329123384.db2.gz OBVGMFOQVYJGSL-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000394668268 329126614 /nfs/dbraw/zinc/12/66/14/329126614.db2.gz VRDHSXZJPXLAOS-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000582845232 329273089 /nfs/dbraw/zinc/27/30/89/329273089.db2.gz LVOMWAWDJDFSCR-NEPJUHHUSA-N 2 1 275.421 3.026 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000582913493 329287721 /nfs/dbraw/zinc/28/77/21/329287721.db2.gz KPJYHKKJPDUGDO-OAHLLOKOSA-N 2 1 293.361 3.339 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccn2)c1 ZINC000576530859 335216026 /nfs/dbraw/zinc/21/60/26/335216026.db2.gz ZWOIBHDHTFNWOD-AOIWGVFYSA-N 2 1 295.430 3.339 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577493184 335359039 /nfs/dbraw/zinc/35/90/39/335359039.db2.gz WPGFIKGTRQNDCT-UONOGXRCSA-N 2 1 269.392 3.343 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1C ZINC000577561957 335368612 /nfs/dbraw/zinc/36/86/12/335368612.db2.gz KPCGYAFEDCUSRM-AEFFLSMTSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000577561957 335368613 /nfs/dbraw/zinc/36/86/13/335368613.db2.gz KPCGYAFEDCUSRM-AEFFLSMTSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000577561957 335368614 /nfs/dbraw/zinc/36/86/14/335368614.db2.gz KPCGYAFEDCUSRM-AEFFLSMTSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC000577561957 335368615 /nfs/dbraw/zinc/36/86/15/335368615.db2.gz KPCGYAFEDCUSRM-AEFFLSMTSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC000577561957 335368616 /nfs/dbraw/zinc/36/86/16/335368616.db2.gz KPCGYAFEDCUSRM-AEFFLSMTSA-N 2 1 274.452 3.384 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000182591731 335828631 /nfs/dbraw/zinc/82/86/31/335828631.db2.gz YIKJOCRWHUEDAV-PBHICJAKSA-N 2 1 262.441 3.195 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+]CCC[NH+]2CCC2)s1 ZINC000581201976 336024219 /nfs/dbraw/zinc/02/42/19/336024219.db2.gz ZWBCIQDWNDZTCI-UHFFFAOYSA-N 2 1 266.454 3.231 20 0 CGADMP Cc1csc([C@H](NCC[C@@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC000581278425 336035575 /nfs/dbraw/zinc/03/55/75/336035575.db2.gz YUBSQVWZIIVLEE-LSDHHAIUSA-N 2 1 293.480 3.367 20 0 CGADMP C[N@H+]1CCC[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000194990501 336041997 /nfs/dbraw/zinc/04/19/97/336041997.db2.gz JVOLRKQSWVQAFH-LPHOPBHVSA-N 2 1 295.430 3.102 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000581337452 336052411 /nfs/dbraw/zinc/05/24/11/336052411.db2.gz LFMIPGGXCFSSSM-ROUUACIJSA-N 2 1 274.452 3.380 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC2CCC1CC2 ZINC000381951816 336078997 /nfs/dbraw/zinc/07/89/97/336078997.db2.gz SHNFTKYDOFQDRC-SEVFCGSRSA-N 2 1 276.468 3.418 20 0 CGADMP CSCC1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000385587678 336151909 /nfs/dbraw/zinc/15/19/09/336151909.db2.gz UUVDMPPVJORWKS-UHFFFAOYSA-N 2 1 284.513 3.372 20 0 CGADMP CSCC1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000385607242 336152481 /nfs/dbraw/zinc/15/24/81/336152481.db2.gz BFBMAWIUHZMTEK-WLYUNCDWSA-N 2 1 272.502 3.227 20 0 CGADMP CSCC1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000385607242 336152483 /nfs/dbraw/zinc/15/24/83/336152483.db2.gz BFBMAWIUHZMTEK-WLYUNCDWSA-N 2 1 272.502 3.227 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000385864705 336158171 /nfs/dbraw/zinc/15/81/71/336158171.db2.gz SUVHASYBFYHFBZ-BKAAIYKLSA-N 2 1 284.513 3.227 20 0 CGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000582011037 336191372 /nfs/dbraw/zinc/19/13/72/336191372.db2.gz NRQMXOLOVZXSPJ-IRXDYDNUSA-N 2 1 292.467 3.066 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414191423 533775495 /nfs/dbraw/zinc/77/54/95/533775495.db2.gz SLXRYOKBBCMMDY-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424297500 533786178 /nfs/dbraw/zinc/78/61/78/533786178.db2.gz SUQSSRWIIKXJLK-INIZCTEOSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2ccccc2n1 ZINC000423341793 533889700 /nfs/dbraw/zinc/88/97/00/533889700.db2.gz WXSUPVGRLPWWIW-KSSFIOAISA-N 2 1 283.419 3.275 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000424372885 533913200 /nfs/dbraw/zinc/91/32/00/533913200.db2.gz GBHOJFMURBCGJZ-AWEZNQCLSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000449067562 534259007 /nfs/dbraw/zinc/25/90/07/534259007.db2.gz MOBRDNMFRABZON-INIZCTEOSA-N 2 1 286.419 3.322 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000366623291 534447641 /nfs/dbraw/zinc/44/76/41/534447641.db2.gz FOCVEESBMHCGEP-AQDKSWOWSA-N 2 1 290.426 3.390 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000104086635 519784170 /nfs/dbraw/zinc/78/41/70/519784170.db2.gz KNGVPWFPHSSESD-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427101684 534465105 /nfs/dbraw/zinc/46/51/05/534465105.db2.gz CMGFFBQUKZSMTO-DOTOQJQBSA-N 2 1 282.387 3.130 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427101684 534465112 /nfs/dbraw/zinc/46/51/12/534465112.db2.gz CMGFFBQUKZSMTO-DOTOQJQBSA-N 2 1 282.387 3.130 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC000094011315 521309033 /nfs/dbraw/zinc/30/90/33/521309033.db2.gz YJHBYHUTMKMIBO-UHFFFAOYSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC000081572878 521498315 /nfs/dbraw/zinc/49/83/15/521498315.db2.gz QMRZUFLBZCIAGS-MRXNPFEDSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000081572878 521498325 /nfs/dbraw/zinc/49/83/25/521498325.db2.gz QMRZUFLBZCIAGS-MRXNPFEDSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000081572878 521498334 /nfs/dbraw/zinc/49/83/34/521498334.db2.gz QMRZUFLBZCIAGS-MRXNPFEDSA-N 2 1 260.425 3.159 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)oc21 ZINC000049553737 524262629 /nfs/dbraw/zinc/26/26/29/524262629.db2.gz ZCRNVACBBGWXQZ-CHWSQXEVSA-N 2 1 290.407 3.432 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Sc1ccccc1 ZINC000129694666 524503110 /nfs/dbraw/zinc/50/31/10/524503110.db2.gz ZIJCNFXZLPVXTE-KFWWJZLASA-N 2 1 278.465 3.240 20 0 CGADMP Cc1cccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000157398518 524542145 /nfs/dbraw/zinc/54/21/45/524542145.db2.gz ZFJSCPROBVDQCW-KRWDZBQOSA-N 2 1 287.451 3.482 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000088164250 524572582 /nfs/dbraw/zinc/57/25/82/524572582.db2.gz WHESFQYMXBCSST-AGUYFDCRSA-N 2 1 264.438 3.161 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000155998508 524807878 /nfs/dbraw/zinc/80/78/78/524807878.db2.gz RJMUBDDKVJDQSR-WMZOPIPTSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000155998508 524807890 /nfs/dbraw/zinc/80/78/90/524807890.db2.gz RJMUBDDKVJDQSR-WMZOPIPTSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156092260 525021243 /nfs/dbraw/zinc/02/12/43/525021243.db2.gz MEDYTTBUBNKYSQ-RISCZKNCSA-N 2 1 268.351 3.183 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOC2CCCCC2)c2ccccc21 ZINC000157450732 527377061 /nfs/dbraw/zinc/37/70/61/527377061.db2.gz LWUZSBAJCVAEDV-SJORKVTESA-N 2 1 274.408 3.070 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3cc2OC)C1 ZINC000449092534 527743310 /nfs/dbraw/zinc/74/33/10/527743310.db2.gz UHKCWKOEBBRAHC-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3cc2OC)C1 ZINC000449092534 527743313 /nfs/dbraw/zinc/74/33/13/527743313.db2.gz UHKCWKOEBBRAHC-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000449025403 527833989 /nfs/dbraw/zinc/83/39/89/527833989.db2.gz BNGNLXKSRKCPAM-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000449025403 527833996 /nfs/dbraw/zinc/83/39/96/527833996.db2.gz BNGNLXKSRKCPAM-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000449025403 527834001 /nfs/dbraw/zinc/83/40/01/527834001.db2.gz BNGNLXKSRKCPAM-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000449025403 527834004 /nfs/dbraw/zinc/83/40/04/527834004.db2.gz BNGNLXKSRKCPAM-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cccnc3o2)C[C@H]1C ZINC000449033420 527834033 /nfs/dbraw/zinc/83/40/33/527834033.db2.gz ZQHUHYZTIDXHPO-HIFRSBDPSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3cccnc3o2)C[C@H]1C ZINC000449033420 527834038 /nfs/dbraw/zinc/83/40/38/527834038.db2.gz ZQHUHYZTIDXHPO-HIFRSBDPSA-N 2 1 287.407 3.132 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3cccnc3o2)C[C@H]1C ZINC000449033420 527834041 /nfs/dbraw/zinc/83/40/41/527834041.db2.gz ZQHUHYZTIDXHPO-HIFRSBDPSA-N 2 1 287.407 3.132 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3cccnc3o2)C[C@H]1C ZINC000449033420 527834048 /nfs/dbraw/zinc/83/40/48/527834048.db2.gz ZQHUHYZTIDXHPO-HIFRSBDPSA-N 2 1 287.407 3.132 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2ccccc2)C1 ZINC000176283464 527838268 /nfs/dbraw/zinc/83/82/68/527838268.db2.gz CEVFCDRLMMKMOA-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000176283464 527838271 /nfs/dbraw/zinc/83/82/71/527838271.db2.gz CEVFCDRLMMKMOA-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000176283464 527838275 /nfs/dbraw/zinc/83/82/75/527838275.db2.gz CEVFCDRLMMKMOA-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C12CCCCC2 ZINC000423494254 527953049 /nfs/dbraw/zinc/95/30/49/527953049.db2.gz AJGRZSUNPDYGKW-IXDOHACOSA-N 2 1 294.483 3.221 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccoc1C ZINC000414337775 528059376 /nfs/dbraw/zinc/05/93/76/528059376.db2.gz JNHDLZBLRJUNOO-UHFFFAOYSA-N 2 1 252.402 3.190 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423504466 528224205 /nfs/dbraw/zinc/22/42/05/528224205.db2.gz GAWSZXFOKPLKRQ-HOTGVXAUSA-N 2 1 296.842 3.149 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@H](C)c1cccc(O)c1 ZINC000359220637 528430620 /nfs/dbraw/zinc/43/06/20/528430620.db2.gz WZIYUPHWYDNYBR-CQSZACIVSA-N 2 1 276.424 3.165 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414832498 528519997 /nfs/dbraw/zinc/51/99/97/528519997.db2.gz DPXSKUYEFCDKAL-KURKYZTESA-N 2 1 274.452 3.460 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423358868 528587422 /nfs/dbraw/zinc/58/74/22/528587422.db2.gz OCHMEVKPROLIME-CZUORRHYSA-N 2 1 282.378 3.394 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423329643 528689245 /nfs/dbraw/zinc/68/92/45/528689245.db2.gz TVQKINZQGZCNGK-CXAGYDPISA-N 2 1 276.424 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414805295 528820604 /nfs/dbraw/zinc/82/06/04/528820604.db2.gz AKTJDJMTJBERCU-QWRGUYRKSA-N 2 1 254.340 3.215 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C1CCC(COC)CC1)[NH+](C)C ZINC000449072816 528821390 /nfs/dbraw/zinc/82/13/90/528821390.db2.gz GSDBPDWXDLEKEE-BDVYOWHSSA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CC[C@H]1CCOC1 ZINC000437769066 528836764 /nfs/dbraw/zinc/83/67/64/528836764.db2.gz CZSMQFDFBXBLOL-INIZCTEOSA-N 2 1 290.451 3.043 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000423290197 528954352 /nfs/dbraw/zinc/95/43/52/528954352.db2.gz ZNAMBPQYGCMHSO-HNNXBMFYSA-N 2 1 278.465 3.124 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000423293757 528958825 /nfs/dbraw/zinc/95/88/25/528958825.db2.gz ARJGUQAJJCUPCR-HUUCEWRRSA-N 2 1 252.377 3.384 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414053903 528988096 /nfs/dbraw/zinc/98/80/96/528988096.db2.gz BAZKDZDPSWJLPX-CQSZACIVSA-N 2 1 276.424 3.139 20 0 CGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000449148892 529007144 /nfs/dbraw/zinc/00/71/44/529007144.db2.gz LPFCFFIQDGDREU-ZWKOTPCHSA-N 2 1 296.499 3.172 20 0 CGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423234923 529028909 /nfs/dbraw/zinc/02/89/09/529028909.db2.gz MQFBHQNXHSFZPW-ZBFHGGJFSA-N 2 1 278.465 3.145 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423267742 529070949 /nfs/dbraw/zinc/07/09/49/529070949.db2.gz FSAJTJKAOXYGTN-GXFFZTMASA-N 2 1 290.329 3.219 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc(OC)c1 ZINC000423270858 529201807 /nfs/dbraw/zinc/20/18/07/529201807.db2.gz XDJSYFDESNWGFR-GDBMZVCRSA-N 2 1 264.413 3.109 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OC)cc1 ZINC000423529208 529202058 /nfs/dbraw/zinc/20/20/58/529202058.db2.gz OEEPYBYURZUJFI-SJORKVTESA-N 2 1 276.424 3.253 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000424372673 529202748 /nfs/dbraw/zinc/20/27/48/529202748.db2.gz IJVWQYQWNZEBTB-RBSFLKMASA-N 2 1 250.361 3.136 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423286124 529246960 /nfs/dbraw/zinc/24/69/60/529246960.db2.gz ZQHMQFKNYSJSHT-ABAIWWIYSA-N 2 1 264.438 3.187 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423286127 529248043 /nfs/dbraw/zinc/24/80/43/529248043.db2.gz ZQHMQFKNYSJSHT-XHDPSFHLSA-N 2 1 264.438 3.187 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358515828 529257031 /nfs/dbraw/zinc/25/70/31/529257031.db2.gz NOXGRAHMYXZADX-INIZCTEOSA-N 2 1 258.409 3.213 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000177819125 529371451 /nfs/dbraw/zinc/37/14/51/529371451.db2.gz QMIGUHCRDJAWNC-INMHGKMJSA-N 2 1 260.425 3.253 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512120304 534956180 /nfs/dbraw/zinc/95/61/80/534956180.db2.gz GBFKXYVZZMFNMK-ABCZVMIZSA-N 2 1 294.389 3.300 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCSc1ccccc1 ZINC000123647993 535063786 /nfs/dbraw/zinc/06/37/86/535063786.db2.gz DUVUAHUFAXPQAC-OAHLLOKOSA-N 2 1 266.454 3.084 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000486975007 535526374 /nfs/dbraw/zinc/52/63/74/535526374.db2.gz XPAYXSWYZXUNFX-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000486975007 535526379 /nfs/dbraw/zinc/52/63/79/535526379.db2.gz XPAYXSWYZXUNFX-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000093693049 535585714 /nfs/dbraw/zinc/58/57/14/535585714.db2.gz LEXBXJHWGUNQMY-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000093693049 535585721 /nfs/dbraw/zinc/58/57/21/535585721.db2.gz LEXBXJHWGUNQMY-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)COC)C1 ZINC000494017504 535820037 /nfs/dbraw/zinc/82/00/37/535820037.db2.gz MYKHIRXBBPBNFL-OAHLLOKOSA-N 2 1 284.488 3.149 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)COC)C1 ZINC000494017504 535820038 /nfs/dbraw/zinc/82/00/38/535820038.db2.gz MYKHIRXBBPBNFL-OAHLLOKOSA-N 2 1 284.488 3.149 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000459783962 536384785 /nfs/dbraw/zinc/38/47/85/536384785.db2.gz NOCDGYVCUCALBB-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)co1 ZINC000727465710 571748617 /nfs/dbraw/zinc/74/86/17/571748617.db2.gz PTBZPIXPMSQYRB-UHFFFAOYSA-N 2 1 270.376 3.165 20 0 CGADMP C[N@H+](Cc1nc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC000729265338 571893738 /nfs/dbraw/zinc/89/37/38/571893738.db2.gz BUHJFAKYHDHAFA-UHFFFAOYSA-N 2 1 289.448 3.070 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCC1 ZINC000398186828 572498358 /nfs/dbraw/zinc/49/83/58/572498358.db2.gz LPPUQIBXUJLWCI-QAPCUYQASA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCC1 ZINC000398186828 572498363 /nfs/dbraw/zinc/49/83/63/572498363.db2.gz LPPUQIBXUJLWCI-QAPCUYQASA-N 2 1 272.436 3.429 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC(C)C)c2)[C@H](C)C1 ZINC000742385851 572573879 /nfs/dbraw/zinc/57/38/79/572573879.db2.gz YMCFDEHUJARLLF-CRAIPNDOSA-N 2 1 290.451 3.294 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)cn1 ZINC000806131567 617835368 /nfs/dbraw/zinc/83/53/68/617835368.db2.gz MBMLMKZLGYKLDN-JKSUJKDBSA-N 2 1 298.434 3.490 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccco2)C1 ZINC000120624616 617744371 /nfs/dbraw/zinc/74/43/71/617744371.db2.gz GVIYGUJLIXQBEA-GASCZTMLSA-N 2 1 264.413 3.127 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cc(F)ccc1OC ZINC000932468538 617774273 /nfs/dbraw/zinc/77/42/73/617774273.db2.gz KDFMYSALVGQHQA-OAHLLOKOSA-N 2 1 291.370 3.080 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000226406068 618083473 /nfs/dbraw/zinc/08/34/73/618083473.db2.gz CYBVPJCNUUNSSJ-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC(C)(C)C1 ZINC000090721249 618153314 /nfs/dbraw/zinc/15/33/14/618153314.db2.gz PIHXUNABCXDRDM-YJNKXOJESA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC(C)(C)C1 ZINC000090721249 618153315 /nfs/dbraw/zinc/15/33/15/618153315.db2.gz PIHXUNABCXDRDM-YJNKXOJESA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000420411747 618166510 /nfs/dbraw/zinc/16/65/10/618166510.db2.gz YBKFFKAMYKDOKI-PMPSAXMXSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000420411747 618166516 /nfs/dbraw/zinc/16/65/16/618166516.db2.gz YBKFFKAMYKDOKI-PMPSAXMXSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892122195 618544343 /nfs/dbraw/zinc/54/43/43/618544343.db2.gz SSDJSWKQYQTPLI-QAPCUYQASA-N 2 1 272.436 3.206 20 0 CGADMP COc1cccnc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926548907 618733379 /nfs/dbraw/zinc/73/33/79/618733379.db2.gz CYBDZAMQKQXAGK-CQSZACIVSA-N 2 1 299.418 3.003 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccns1 ZINC000924569499 618851987 /nfs/dbraw/zinc/85/19/87/618851987.db2.gz IPYSHUJHZXKZCM-SNVBAGLBSA-N 2 1 267.442 3.103 20 0 CGADMP COC1CCC(C[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000892571493 618864787 /nfs/dbraw/zinc/86/47/87/618864787.db2.gz YGONIXKNNYCCID-NJINODPHSA-N 2 1 282.472 3.044 20 0 CGADMP COC1CCC(C[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000892571493 618864788 /nfs/dbraw/zinc/86/47/88/618864788.db2.gz YGONIXKNNYCCID-NJINODPHSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309920404 619060433 /nfs/dbraw/zinc/06/04/33/619060433.db2.gz VQZNQCBNZIXMRY-KRWDZBQOSA-N 2 1 260.425 3.288 20 0 CGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925679225 619128753 /nfs/dbraw/zinc/12/87/53/619128753.db2.gz ZKLURJIEGXUXGI-XIRDDKMYSA-N 2 1 288.410 3.336 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000925724912 619181290 /nfs/dbraw/zinc/18/12/90/619181290.db2.gz NXCAYIJPAXFDKJ-XHDPSFHLSA-N 2 1 291.826 3.094 20 0 CGADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C1CCC1)C1CCCC1)C2 ZINC000925814844 619261386 /nfs/dbraw/zinc/26/13/86/619261386.db2.gz REYJRTBHKAQVMK-RDJZCZTQSA-N 2 1 273.424 3.146 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261541951 619288240 /nfs/dbraw/zinc/28/82/40/619288240.db2.gz MXDXKQSPUJRIOW-UPJWGTAASA-N 2 1 252.427 3.129 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C[C@]34C[C@H]3CCC4)CC[NH2+]2)cc1 ZINC000925881853 619306796 /nfs/dbraw/zinc/30/67/96/619306796.db2.gz VTLJMMFRSFZAJE-TVFCKZIOSA-N 2 1 270.420 3.260 20 0 CGADMP Cc1coc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000894096854 619370457 /nfs/dbraw/zinc/37/04/57/619370457.db2.gz YSABGJUCOBIWKD-PBHICJAKSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000894096854 619370458 /nfs/dbraw/zinc/37/04/58/619370458.db2.gz YSABGJUCOBIWKD-PBHICJAKSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000894096854 619370460 /nfs/dbraw/zinc/37/04/60/619370460.db2.gz YSABGJUCOBIWKD-PBHICJAKSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1coc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000894096854 619370463 /nfs/dbraw/zinc/37/04/63/619370463.db2.gz YSABGJUCOBIWKD-PBHICJAKSA-N 2 1 274.408 3.037 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000894806384 619640626 /nfs/dbraw/zinc/64/06/26/619640626.db2.gz AKXREBLHJJQAMF-UHFFFAOYSA-N 2 1 289.467 3.244 20 0 CGADMP C[C@H](CC[NH2+]Cc1cnc(-c2cccs2)s1)[NH+](C)C ZINC000895298143 619799039 /nfs/dbraw/zinc/79/90/39/619799039.db2.gz RNXHMHCPTPGHBO-LLVKDONJSA-N 2 1 295.477 3.301 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000895587506 619855161 /nfs/dbraw/zinc/85/51/61/619855161.db2.gz XBAJKSYXQUWKQD-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc(O)c1 ZINC000895685104 619872716 /nfs/dbraw/zinc/87/27/16/619872716.db2.gz JPLLRMCIYDCPSD-UHFFFAOYSA-N 2 1 276.424 3.090 20 0 CGADMP CC1=CC[C@@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000896724213 620050207 /nfs/dbraw/zinc/05/02/07/620050207.db2.gz VVDZYNQDGMKQHC-IAGOWNOFSA-N 2 1 273.424 3.163 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CC1(C)C ZINC000840713891 620150520 /nfs/dbraw/zinc/15/05/20/620150520.db2.gz GIDYGWFEKVHSFM-JKSUJKDBSA-N 2 1 298.434 3.490 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1C[C@H]1C ZINC000840715927 620165189 /nfs/dbraw/zinc/16/51/89/620165189.db2.gz UFWVBLHFCFSQEE-WQVCFCJDSA-N 2 1 284.407 3.100 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144501 620179970 /nfs/dbraw/zinc/17/99/70/620179970.db2.gz UAWSVWOFQNMASN-ZQIUZPCESA-N 2 1 290.451 3.047 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144501 620179972 /nfs/dbraw/zinc/17/99/72/620179972.db2.gz UAWSVWOFQNMASN-ZQIUZPCESA-N 2 1 290.451 3.047 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)CC1(C)C ZINC000897793314 620432471 /nfs/dbraw/zinc/43/24/71/620432471.db2.gz LWGFALQIVYKLFU-QWHCGFSZSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000897882128 620443361 /nfs/dbraw/zinc/44/33/61/620443361.db2.gz JMFGRVVUZPFBMT-QHSBEEBCSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000897882128 620443364 /nfs/dbraw/zinc/44/33/64/620443364.db2.gz JMFGRVVUZPFBMT-QHSBEEBCSA-N 2 1 294.389 3.283 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897981857 620462038 /nfs/dbraw/zinc/46/20/38/620462038.db2.gz SKVSQTOTSRZZJD-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000898017509 620466925 /nfs/dbraw/zinc/46/69/25/620466925.db2.gz OKJSCLSZWRCEMQ-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C(C)(C)CO ZINC000924658340 620557269 /nfs/dbraw/zinc/55/72/69/620557269.db2.gz PVBYUBVOIHLTJG-OAHLLOKOSA-N 2 1 292.467 3.023 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517725 620595878 /nfs/dbraw/zinc/59/58/78/620595878.db2.gz CKWBEHUOBWAFAP-FGTMMUONSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(SC(F)F)cc1 ZINC000902416973 621309322 /nfs/dbraw/zinc/30/93/22/621309322.db2.gz QLNSYZNCWBCOHI-SECBINFHSA-N 2 1 272.364 3.143 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(OCc2ccccc2)c1 ZINC000902416895 621309947 /nfs/dbraw/zinc/30/99/47/621309947.db2.gz PAKPUYQPPJWPQF-OAHLLOKOSA-N 2 1 296.414 3.408 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)c2cccc(Br)c21 ZINC000902418031 621310188 /nfs/dbraw/zinc/31/01/88/621310188.db2.gz ULRJFWZKOQEEOE-SKDRFNHKSA-N 2 1 295.224 3.078 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000902413944 621323411 /nfs/dbraw/zinc/32/34/11/621323411.db2.gz PZEMCHZWYSSMKP-ZDUSSCGKSA-N 2 1 298.402 3.460 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cncs1 ZINC000902454458 621333165 /nfs/dbraw/zinc/33/31/65/621333165.db2.gz HUQOOKGIHJLQLA-FRRDWIJNSA-N 2 1 267.442 3.105 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902790375 621448059 /nfs/dbraw/zinc/44/80/59/621448059.db2.gz PYODGYCDPSPBLN-RDJZCZTQSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902790375 621448066 /nfs/dbraw/zinc/44/80/66/621448066.db2.gz PYODGYCDPSPBLN-RDJZCZTQSA-N 2 1 284.488 3.148 20 0 CGADMP C([NH2+]C1C[C@H]2CCC[C@@H]2C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000903060087 621548430 /nfs/dbraw/zinc/54/84/30/621548430.db2.gz ZVCDYTARHBEBJM-GVDBMIGSSA-N 2 1 276.468 3.277 20 0 CGADMP CC1(C)CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903152316 621611212 /nfs/dbraw/zinc/61/12/12/621611212.db2.gz CKKAXFRIHLXYRC-VHRNVKJDSA-N 2 1 262.441 3.170 20 0 CGADMP C(CCC1CC1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903211643 621630381 /nfs/dbraw/zinc/63/03/81/621630381.db2.gz CVRWEESJIACANF-ZXFUBFMLSA-N 2 1 262.441 3.314 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903425302 621741544 /nfs/dbraw/zinc/74/15/44/621741544.db2.gz ZUHPONNCTDHIOP-BZUAXINKSA-N 2 1 296.405 3.341 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000903431564 621743694 /nfs/dbraw/zinc/74/36/94/621743694.db2.gz PYYIAQLAUPWTLN-OAGGEKHMSA-N 2 1 260.425 3.424 20 0 CGADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430969 621744366 /nfs/dbraw/zinc/74/43/66/621744366.db2.gz AZRKVTSRFLYKIX-HIFRSBDPSA-N 2 1 266.816 3.289 20 0 CGADMP C[N@H+](Cc1csc2ccccc12)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430537 621744581 /nfs/dbraw/zinc/74/45/81/621744581.db2.gz VOPKPSVUKOQUCJ-OCCSQVGLSA-N 2 1 274.433 3.461 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000903421413 621750140 /nfs/dbraw/zinc/75/01/40/621750140.db2.gz OJCNYFSMYXHITF-CQSZACIVSA-N 2 1 278.465 3.230 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000903421413 621750144 /nfs/dbraw/zinc/75/01/44/621750144.db2.gz OJCNYFSMYXHITF-CQSZACIVSA-N 2 1 278.465 3.230 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000903458467 621751438 /nfs/dbraw/zinc/75/14/38/621751438.db2.gz ANLNZGKCXLBBGC-UKRRQHHQSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903719316 621796030 /nfs/dbraw/zinc/79/60/30/621796030.db2.gz XZDLGXTWCWBIII-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CC[N@@H+](CCc1cccs1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722708 621796349 /nfs/dbraw/zinc/79/63/49/621796349.db2.gz NTOVLDYBXMDIRB-CQSZACIVSA-N 2 1 266.454 3.002 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903727579 621796678 /nfs/dbraw/zinc/79/66/78/621796678.db2.gz VLWDCSZBWUOYLF-IRXDYDNUSA-N 2 1 272.436 3.174 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000903742164 621801994 /nfs/dbraw/zinc/80/19/94/621801994.db2.gz VJSBBULGFFZLPJ-IAGOWNOFSA-N 2 1 276.399 3.120 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1CF ZINC000903783564 621807678 /nfs/dbraw/zinc/80/76/78/621807678.db2.gz ZFLCWORYDDJMOD-UHFFFAOYSA-N 2 1 252.377 3.107 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccc3ccccc3c1)C2 ZINC000903846374 621820316 /nfs/dbraw/zinc/82/03/16/621820316.db2.gz NFXLLVGCVXYZMK-WBAXXEDZSA-N 2 1 296.414 3.030 20 0 CGADMP c1cc([C@@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000903884218 621826717 /nfs/dbraw/zinc/82/67/17/621826717.db2.gz UZUBWAVNNDKJKF-WDVRLDOZSA-N 2 1 276.449 3.416 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903899102 621830150 /nfs/dbraw/zinc/83/01/50/621830150.db2.gz RQEFYDDZIVUYKM-IPQPSQTFSA-N 2 1 286.463 3.470 20 0 CGADMP CCCCC1CCC([NH2+]C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903924699 621833859 /nfs/dbraw/zinc/83/38/59/621833859.db2.gz HSHCDLVBTVXYQO-CPCZMJQVSA-N 2 1 262.388 3.308 20 0 CGADMP C[N@H+](Cc1ccc2cc[nH]c2c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937070 621835547 /nfs/dbraw/zinc/83/55/47/621835547.db2.gz APAGUACCRCFSHC-ZXFUBFMLSA-N 2 1 283.419 3.130 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955371 621843323 /nfs/dbraw/zinc/84/33/23/621843323.db2.gz QDQAUWAEOIDALE-LBPRGKRZSA-N 2 1 294.345 3.076 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904341577 621909764 /nfs/dbraw/zinc/90/97/64/621909764.db2.gz PQMLJXWKTFIZHO-XOYOTBSWSA-N 2 1 272.436 3.300 20 0 CGADMP COCc1ccccc1C[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904360862 621912023 /nfs/dbraw/zinc/91/20/23/621912023.db2.gz QNOUDAJEUBINTA-MRXNPFEDSA-N 2 1 278.440 3.076 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904384024 621916228 /nfs/dbraw/zinc/91/62/28/621916228.db2.gz GLPFRYJBEZLJTQ-OAGGEKHMSA-N 2 1 288.435 3.002 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000904405891 621918569 /nfs/dbraw/zinc/91/85/69/621918569.db2.gz RMCDUZRLZOSYME-NVXWUHKLSA-N 2 1 260.425 3.097 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420494 621921999 /nfs/dbraw/zinc/92/19/99/621921999.db2.gz QNDNELICCLFTQX-UONOGXRCSA-N 2 1 298.352 3.055 20 0 CGADMP CCC[C@](C)([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000904469229 621924560 /nfs/dbraw/zinc/92/45/60/621924560.db2.gz JYTUWKQSKBUXAS-WIHSUSGWSA-N 2 1 258.409 3.044 20 0 CGADMP C[N@H+](CC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C1CCCCC1 ZINC000924802876 622057383 /nfs/dbraw/zinc/05/73/83/622057383.db2.gz OZKGKNCINFGOAL-FUHWJXTLSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C1CCCCC1 ZINC000924802876 622057386 /nfs/dbraw/zinc/05/73/86/622057386.db2.gz OZKGKNCINFGOAL-FUHWJXTLSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCOc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000905618547 622090965 /nfs/dbraw/zinc/09/09/65/622090965.db2.gz ZVJNDXDRVZCQSQ-QGZVFWFLSA-N 2 1 285.391 3.085 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000226391644 622965766 /nfs/dbraw/zinc/96/57/66/622965766.db2.gz DKDNFNYAFOVZAV-MRXNPFEDSA-N 2 1 282.472 3.188 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000158168374 623010135 /nfs/dbraw/zinc/01/01/35/623010135.db2.gz ORPFMUOHPRTNEH-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929748532 623552762 /nfs/dbraw/zinc/55/27/62/623552762.db2.gz JYACFTYLIPLQCJ-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnc(Cl)c1 ZINC000766472576 624052558 /nfs/dbraw/zinc/05/25/58/624052558.db2.gz ALTPHTIFQMUALN-IACUBPJLSA-N 2 1 281.831 3.258 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000921475512 624599125 /nfs/dbraw/zinc/59/91/25/624599125.db2.gz AFBDLJXLILVKMI-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)CC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000767415143 624938691 /nfs/dbraw/zinc/93/86/91/624938691.db2.gz MOMABCKKDXUUKH-MRXNPFEDSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CSC)cc2)C1 ZINC000921625438 625721441 /nfs/dbraw/zinc/72/14/41/625721441.db2.gz VXFFNWANCIVECL-KRWDZBQOSA-N 2 1 292.492 3.371 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000921774891 625871396 /nfs/dbraw/zinc/87/13/96/625871396.db2.gz OHXOHBSDNLBKTI-AWEZNQCLSA-N 2 1 299.418 3.085 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCSC3(CCC3)C2)CC1(C)C ZINC000922843226 626055981 /nfs/dbraw/zinc/05/59/81/626055981.db2.gz QRKYRUJTQJZSQM-KGLIPLIRSA-N 2 1 282.497 3.267 20 0 CGADMP c1csc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923297913 626144149 /nfs/dbraw/zinc/14/41/49/626144149.db2.gz KTWFMOXCFDGFQC-ZDUSSCGKSA-N 2 1 250.411 3.027 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923415917 626151247 /nfs/dbraw/zinc/15/12/47/626151247.db2.gz XMZWIDHCNSFEMN-CVEARBPZSA-N 2 1 262.441 3.031 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923415917 626151249 /nfs/dbraw/zinc/15/12/49/626151249.db2.gz XMZWIDHCNSFEMN-CVEARBPZSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482910 626156827 /nfs/dbraw/zinc/15/68/27/626156827.db2.gz IRZZZGPLLULSKA-KGLIPLIRSA-N 2 1 285.391 3.073 20 0 CGADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)co2)cc1 ZINC000923496729 626158502 /nfs/dbraw/zinc/15/85/02/626158502.db2.gz CLAPIYHZOJWXIP-ZBFHGGJFSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923494050 626158559 /nfs/dbraw/zinc/15/85/59/626158559.db2.gz VMHPAQFRFOWWTR-DGCLKSJQSA-N 2 1 286.341 3.122 20 0 CGADMP C(=C/[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1)\c1ccccc1 ZINC000923525016 626161080 /nfs/dbraw/zinc/16/10/80/626161080.db2.gz CKVBRQDCSVYROT-NUQYTELCSA-N 2 1 270.420 3.164 20 0 CGADMP C(=C\[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1)\c1ccccc1 ZINC000923525018 626161130 /nfs/dbraw/zinc/16/11/30/626161130.db2.gz CKVBRQDCSVYROT-VTFYZGIISA-N 2 1 270.420 3.164 20 0 CGADMP CCC(=O)CC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000753747192 626464554 /nfs/dbraw/zinc/46/45/54/626464554.db2.gz WHBULEPSSIMJKV-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cnc1Cl ZINC000760661054 626983949 /nfs/dbraw/zinc/98/39/49/626983949.db2.gz BAFOXVYFIYKYPG-UHFFFAOYSA-N 2 1 293.842 3.150 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000765238171 627243370 /nfs/dbraw/zinc/24/33/70/627243370.db2.gz GUTIQALLSYOSPX-HZPDHXFCSA-N 2 1 284.407 3.244 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000765758586 627269112 /nfs/dbraw/zinc/26/91/12/627269112.db2.gz NLYMXJDPZAYKCH-KBXCAEBGSA-N 2 1 283.419 3.413 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC000766258262 627306930 /nfs/dbraw/zinc/30/69/30/627306930.db2.gz HABLOBZOBANVCM-JLZZUVOBSA-N 2 1 292.854 3.127 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622071 628115129 /nfs/dbraw/zinc/11/51/29/628115129.db2.gz PHYJCEDERZHXBE-UONOGXRCSA-N 2 1 271.408 3.160 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C1(C)C ZINC000776161667 628172497 /nfs/dbraw/zinc/17/24/97/628172497.db2.gz YPHNDGHYLFODBK-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H](c1ccccc1OC)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782184053 628621559 /nfs/dbraw/zinc/62/15/59/628621559.db2.gz QGIPZYDLMNQKOM-KRWDZBQOSA-N 2 1 290.451 3.420 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000783220207 628688904 /nfs/dbraw/zinc/68/89/04/628688904.db2.gz ARAHZOZILLVCFF-ARFHVFGLSA-N 2 1 252.446 3.131 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc(C3CC3)o2)cc1 ZINC000862367060 629353746 /nfs/dbraw/zinc/35/37/46/629353746.db2.gz UICPZUBLVLTYOU-UHFFFAOYSA-N 2 1 299.418 3.246 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc(C3CC3)o2)cc1 ZINC000862367060 629353750 /nfs/dbraw/zinc/35/37/50/629353750.db2.gz UICPZUBLVLTYOU-UHFFFAOYSA-N 2 1 299.418 3.246 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)n(C)n1 ZINC000793517353 629473595 /nfs/dbraw/zinc/47/35/95/629473595.db2.gz MPLNOQXAVCLFSW-OAHLLOKOSA-N 2 1 292.471 3.034 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)n(C)n1 ZINC000793517353 629473598 /nfs/dbraw/zinc/47/35/98/629473598.db2.gz MPLNOQXAVCLFSW-OAHLLOKOSA-N 2 1 292.471 3.034 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)o1 ZINC000119895396 629792700 /nfs/dbraw/zinc/79/27/00/629792700.db2.gz SZYDMZDYCMBILE-OAHLLOKOSA-N 2 1 264.413 3.106 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(C)o1 ZINC000119895396 629792708 /nfs/dbraw/zinc/79/27/08/629792708.db2.gz SZYDMZDYCMBILE-OAHLLOKOSA-N 2 1 264.413 3.106 20 0 CGADMP CC(C)C(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000808718498 630670327 /nfs/dbraw/zinc/67/03/27/630670327.db2.gz VMODNFXICIGLON-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000808718498 630670330 /nfs/dbraw/zinc/67/03/30/630670330.db2.gz VMODNFXICIGLON-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CCC(CC)[N@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000809788045 630809560 /nfs/dbraw/zinc/80/95/60/630809560.db2.gz LUMGKWDEBHPJLE-UHFFFAOYSA-N 2 1 269.458 3.215 20 0 CGADMP CCC(CC)[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000809788045 630809563 /nfs/dbraw/zinc/80/95/63/630809563.db2.gz LUMGKWDEBHPJLE-UHFFFAOYSA-N 2 1 269.458 3.215 20 0 CGADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817912391 632233599 /nfs/dbraw/zinc/23/35/99/632233599.db2.gz AHOGPIZRZMGUNR-MSOLQXFVSA-N 2 1 295.515 3.282 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817929621 632236487 /nfs/dbraw/zinc/23/64/87/632236487.db2.gz IXYSKPGMMMSNGH-UONOGXRCSA-N 2 1 295.858 3.444 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817931387 632236709 /nfs/dbraw/zinc/23/67/09/632236709.db2.gz RTOCBGQEHCPQLD-QLFBSQMISA-N 2 1 293.842 3.054 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCSCCC(F)(F)F)CC1(C)C ZINC000865786582 632890400 /nfs/dbraw/zinc/89/04/00/632890400.db2.gz GIVQZNMJFOTUDL-LLVKDONJSA-N 2 1 298.418 3.134 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866250331 633045650 /nfs/dbraw/zinc/04/56/50/633045650.db2.gz YNELVDOMUWAVMQ-MNOVXSKESA-N 2 1 295.814 3.472 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866258767 633047765 /nfs/dbraw/zinc/04/77/65/633047765.db2.gz AKJZUAMJIUMZST-JKSUJKDBSA-N 2 1 285.435 3.357 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000866282138 633065207 /nfs/dbraw/zinc/06/52/07/633065207.db2.gz MIHICFQUZVRAMM-UXLLHSPISA-N 2 1 275.440 3.241 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(F)(F)F ZINC000866505513 633165978 /nfs/dbraw/zinc/16/59/78/633165978.db2.gz NPTDAXIBTMWOKY-NWDGAFQWSA-N 2 1 280.378 3.427 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000880257065 635958824 /nfs/dbraw/zinc/95/88/24/635958824.db2.gz RRIPGTOIAISAPH-QGZVFWFLSA-N 2 1 294.483 3.286 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCOC1 ZINC000872023274 633943614 /nfs/dbraw/zinc/94/36/14/633943614.db2.gz DVNCFPXDCHEIDE-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCOC1 ZINC000872023274 633943618 /nfs/dbraw/zinc/94/36/18/633943618.db2.gz DVNCFPXDCHEIDE-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCOC1 ZINC000872023633 633944877 /nfs/dbraw/zinc/94/48/77/633944877.db2.gz UIGFZWBTJOJJFJ-SQNIBIBYSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872031807 633950228 /nfs/dbraw/zinc/95/02/28/633950228.db2.gz MXMXWWKKLHISFU-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872031807 633950234 /nfs/dbraw/zinc/95/02/34/633950234.db2.gz MXMXWWKKLHISFU-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000872092698 634017779 /nfs/dbraw/zinc/01/77/79/634017779.db2.gz QCBNFTPFRFUTLW-WBVHZDCISA-N 2 1 294.483 3.331 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000872092698 634017788 /nfs/dbraw/zinc/01/77/88/634017788.db2.gz QCBNFTPFRFUTLW-WBVHZDCISA-N 2 1 294.483 3.331 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000872092597 634018154 /nfs/dbraw/zinc/01/81/54/634018154.db2.gz QCBNFTPFRFUTLW-RDJZCZTQSA-N 2 1 294.483 3.331 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000872092597 634018156 /nfs/dbraw/zinc/01/81/56/634018156.db2.gz QCBNFTPFRFUTLW-RDJZCZTQSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834878172 634263403 /nfs/dbraw/zinc/26/34/03/634263403.db2.gz OCZCAKVYOTVVGU-MGLUKCQKSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834911168 634285329 /nfs/dbraw/zinc/28/53/29/634285329.db2.gz YKHBBJKOLXIONU-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1C(F)(F)F ZINC000873227145 634291954 /nfs/dbraw/zinc/29/19/54/634291954.db2.gz CIVXCMGNOUWPOV-LSDHHAIUSA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@H]1C(F)(F)F ZINC000873227145 634291959 /nfs/dbraw/zinc/29/19/59/634291959.db2.gz CIVXCMGNOUWPOV-LSDHHAIUSA-N 2 1 298.352 3.133 20 0 CGADMP C[C@H](CC[NH2+][C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1 ZINC000873231013 634293170 /nfs/dbraw/zinc/29/31/70/634293170.db2.gz DKEKPGABEFAAKO-OIISXLGYSA-N 2 1 258.409 3.054 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1)C1CCCC1 ZINC000873232481 634294602 /nfs/dbraw/zinc/29/46/02/634294602.db2.gz RDFYHBPJJAJMHL-SOLBZPMBSA-N 2 1 294.483 3.033 20 0 CGADMP CC[C@H]([NH2+]CC(CC)(CC)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873247711 634299100 /nfs/dbraw/zinc/29/91/00/634299100.db2.gz SGMHGAFMFZHVAA-RYUDHWBXSA-N 2 1 280.378 3.475 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876936539 634931814 /nfs/dbraw/zinc/93/18/14/634931814.db2.gz KYTOEXRLVCXLPV-XQQFMLRXSA-N 2 1 293.282 3.138 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CCCCCCC2)CC[NH2+]1 ZINC000841008019 635104930 /nfs/dbraw/zinc/10/49/30/635104930.db2.gz XFCMQWXEMUPZGV-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CCCO[C@H]1CCC[N@@H+](CCCCCCC[NH3+])CC1 ZINC000842471831 635375622 /nfs/dbraw/zinc/37/56/22/635375622.db2.gz CANBKCXFIQMJKU-INIZCTEOSA-N 2 1 270.461 3.177 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000842473310 635377511 /nfs/dbraw/zinc/37/75/11/635377511.db2.gz UVJCBOUOYODLHC-GUYCJALGSA-N 2 1 294.389 3.491 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C\c1ccc(F)cc1F ZINC000843054201 635551133 /nfs/dbraw/zinc/55/11/33/635551133.db2.gz SBLYDELWAFZSQL-OHKQPKEISA-N 2 1 292.373 3.322 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C\c1ccc(F)cc1F ZINC000843054201 635551149 /nfs/dbraw/zinc/55/11/49/635551149.db2.gz SBLYDELWAFZSQL-OHKQPKEISA-N 2 1 292.373 3.322 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608169 635567508 /nfs/dbraw/zinc/56/75/08/635567508.db2.gz JJSNOVUNPSOGBE-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](CC[C@@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608169 635567514 /nfs/dbraw/zinc/56/75/14/635567514.db2.gz JJSNOVUNPSOGBE-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](CC[C@@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608169 635567524 /nfs/dbraw/zinc/56/75/24/635567524.db2.gz JJSNOVUNPSOGBE-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP CCC(=O)CCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703842 635838888 /nfs/dbraw/zinc/83/88/88/635838888.db2.gz YZSRMHMVHKDXFS-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880470497 636006591 /nfs/dbraw/zinc/00/65/91/636006591.db2.gz KJKREHLLUFEHHQ-HNNXBMFYSA-N 2 1 258.409 3.308 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccnc(Cl)c1 ZINC000880517181 636013698 /nfs/dbraw/zinc/01/36/98/636013698.db2.gz KWTBKPNJHKTHRU-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000845938588 636120576 /nfs/dbraw/zinc/12/05/76/636120576.db2.gz WBZNXOSUIASPGH-RCCFBDPRSA-N 2 1 294.483 3.188 20 0 CGADMP COc1ccccc1[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219166 636162373 /nfs/dbraw/zinc/16/23/73/636162373.db2.gz IXVLBDGYHUWBDZ-HNNXBMFYSA-N 2 1 276.424 3.004 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC000848529575 636591633 /nfs/dbraw/zinc/59/16/33/636591633.db2.gz XEQUDGNPWMAJFR-HNNXBMFYSA-N 2 1 260.425 3.241 20 0 CGADMP C([NH2+][C@@H]1CCCC2(CC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000883237717 636607025 /nfs/dbraw/zinc/60/70/25/636607025.db2.gz IPIAVJGLDHYHOS-DLBZAZTESA-N 2 1 276.468 3.421 20 0 CGADMP c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1NC1CCCC1 ZINC000883346097 636690373 /nfs/dbraw/zinc/69/03/73/636690373.db2.gz RRQGSADIDCCYMR-GOSISDBHSA-N 2 1 285.435 3.326 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2ccccc21 ZINC000131596607 636693180 /nfs/dbraw/zinc/69/31/80/636693180.db2.gz AISCJTVHJQCOIY-UONOGXRCSA-N 2 1 254.377 3.009 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)O1 ZINC000883435088 636754916 /nfs/dbraw/zinc/75/49/16/636754916.db2.gz KGFRUDGBMKPUSS-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000850385988 637043228 /nfs/dbraw/zinc/04/32/28/637043228.db2.gz DSDPKJPQLARYCR-NQYYFHDYSA-N 2 1 299.462 3.009 20 0 CGADMP c1csc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134868052 637044297 /nfs/dbraw/zinc/04/42/97/637044297.db2.gz JSMRROUFYFVYNK-RHSMWYFYSA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134868052 637044305 /nfs/dbraw/zinc/04/43/05/637044305.db2.gz JSMRROUFYFVYNK-RHSMWYFYSA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134868052 637044310 /nfs/dbraw/zinc/04/43/10/637044310.db2.gz JSMRROUFYFVYNK-RHSMWYFYSA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134868052 637044319 /nfs/dbraw/zinc/04/43/19/637044319.db2.gz JSMRROUFYFVYNK-RHSMWYFYSA-N 2 1 290.476 3.239 20 0 CGADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCC(F)CC1 ZINC000850396215 637048016 /nfs/dbraw/zinc/04/80/16/637048016.db2.gz RJXSEPYAVCKITK-HIFPTAJRSA-N 2 1 299.459 3.211 20 0 CGADMP Cc1coc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000885922300 637313526 /nfs/dbraw/zinc/31/35/26/637313526.db2.gz ACXJZSOHIZMPRN-OAHLLOKOSA-N 2 1 264.413 3.332 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000885969158 637337681 /nfs/dbraw/zinc/33/76/81/637337681.db2.gz LQNKEYSUUWGZME-GVDBMIGSSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000885979977 637341188 /nfs/dbraw/zinc/34/11/88/637341188.db2.gz QEOYGZBHAIUDGZ-QGZVFWFLSA-N 2 1 294.483 3.140 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000886016923 637365968 /nfs/dbraw/zinc/36/59/68/637365968.db2.gz OQXKEPDHUQFBLI-KURKYZTESA-N 2 1 276.468 3.373 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030434 637373746 /nfs/dbraw/zinc/37/37/46/637373746.db2.gz KRWQGFWNFZSJGX-OIISXLGYSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030434 637373755 /nfs/dbraw/zinc/37/37/55/637373755.db2.gz KRWQGFWNFZSJGX-OIISXLGYSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030434 637373760 /nfs/dbraw/zinc/37/37/60/637373760.db2.gz KRWQGFWNFZSJGX-OIISXLGYSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCSC(F)(F)F)CC1 ZINC000886032659 637375945 /nfs/dbraw/zinc/37/59/45/637375945.db2.gz KXSZQLZJYPRINL-UHFFFAOYSA-N 2 1 284.391 3.046 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886169885 637446683 /nfs/dbraw/zinc/44/66/83/637446683.db2.gz KQLJYJAQHPPYRO-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP ClC(Cl)=CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000851860225 637525968 /nfs/dbraw/zinc/52/59/68/637525968.db2.gz HWYXJJOZAKCJGJ-AAEUAGOBSA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000851860225 637525978 /nfs/dbraw/zinc/52/59/78/637525978.db2.gz HWYXJJOZAKCJGJ-AAEUAGOBSA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000851860225 637525986 /nfs/dbraw/zinc/52/59/86/637525986.db2.gz HWYXJJOZAKCJGJ-AAEUAGOBSA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000851860225 637525998 /nfs/dbraw/zinc/52/59/98/637525998.db2.gz HWYXJJOZAKCJGJ-AAEUAGOBSA-N 2 1 289.250 3.254 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886503959 637545654 /nfs/dbraw/zinc/54/56/54/637545654.db2.gz MCOPHLGHGYULKE-WBVHZDCISA-N 2 1 287.451 3.171 20 0 CGADMP [NH3+]CCC[N@H+](CC=C(Cl)Cl)CC1CCCC1 ZINC000852749912 637706191 /nfs/dbraw/zinc/70/61/91/637706191.db2.gz RIPXPEDJDDZCBN-UHFFFAOYSA-N 2 1 265.228 3.146 20 0 CGADMP [NH3+]CCC[N@@H+](CC=C(Cl)Cl)CC1CCCC1 ZINC000852749912 637706197 /nfs/dbraw/zinc/70/61/97/637706197.db2.gz RIPXPEDJDDZCBN-UHFFFAOYSA-N 2 1 265.228 3.146 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876212 637716171 /nfs/dbraw/zinc/71/61/71/637716171.db2.gz XMYXDPYFHKLQNK-HUUCEWRRSA-N 2 1 286.410 3.278 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000221909193 637765496 /nfs/dbraw/zinc/76/54/96/637765496.db2.gz KIJZGPXLWALOEA-CQSZACIVSA-N 2 1 266.404 3.077 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853248413 637794218 /nfs/dbraw/zinc/79/42/18/637794218.db2.gz GACMFEJKBSRRMW-XJKSGUPXSA-N 2 1 276.424 3.036 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924618410 638377689 /nfs/dbraw/zinc/37/76/89/638377689.db2.gz ZIRRZXAAYXCUNM-SJLPKXTDSA-N 2 1 289.467 3.113 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000924698582 638391199 /nfs/dbraw/zinc/39/11/99/638391199.db2.gz ZZQLMCONUOQBQH-BRWVUGGUSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000924712600 638393478 /nfs/dbraw/zinc/39/34/78/638393478.db2.gz ITQWZZWZQRALQI-GJZGRUSLSA-N 2 1 263.429 3.386 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000924753508 638399077 /nfs/dbraw/zinc/39/90/77/638399077.db2.gz PXFYRNPNDWKYSU-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000924753508 638399081 /nfs/dbraw/zinc/39/90/81/638399081.db2.gz PXFYRNPNDWKYSU-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000924751454 638399093 /nfs/dbraw/zinc/39/90/93/638399093.db2.gz KRKQOCDSUGKPMK-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000924751454 638399100 /nfs/dbraw/zinc/39/91/00/638399100.db2.gz KRKQOCDSUGKPMK-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000925050590 638442481 /nfs/dbraw/zinc/44/24/81/638442481.db2.gz FSBNPQNPRUURGX-PNRVRQOCSA-N 2 1 282.497 3.267 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000925050590 638442487 /nfs/dbraw/zinc/44/24/87/638442487.db2.gz FSBNPQNPRUURGX-PNRVRQOCSA-N 2 1 282.497 3.267 20 0 CGADMP CCc1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)on1 ZINC000925130462 638457657 /nfs/dbraw/zinc/45/76/57/638457657.db2.gz UIPKIHIZXBYUTQ-CYBMUJFWSA-N 2 1 287.407 3.149 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])c1cccnc1 ZINC000925538929 638522368 /nfs/dbraw/zinc/52/23/68/638522368.db2.gz WRZVRRUQPWMNHR-ZYSHUDEJSA-N 2 1 297.446 3.499 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000925587230 638538639 /nfs/dbraw/zinc/53/86/39/638538639.db2.gz HHHFKRYGGRJHHK-MGNMYUMUSA-N 2 1 296.524 3.371 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925609865 638544009 /nfs/dbraw/zinc/54/40/09/638544009.db2.gz WUCGVVFIBPDQBJ-GLJUWKHASA-N 2 1 284.403 3.001 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](c2ccccc2)c2ccccn2)CC1 ZINC000925760989 638600759 /nfs/dbraw/zinc/60/07/59/638600759.db2.gz WIWKSLMUIDCAQB-GOSISDBHSA-N 2 1 295.430 3.374 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2ccc(Cl)nc21)C1CC1 ZINC000857914591 638603060 /nfs/dbraw/zinc/60/30/60/638603060.db2.gz WJZPFHBNIXGQJY-AWEZNQCLSA-N 2 1 293.842 3.186 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000925778900 638609965 /nfs/dbraw/zinc/60/99/65/638609965.db2.gz UYPQIIXFYHODHP-NEPJUHHUSA-N 2 1 274.380 3.034 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788875 638614717 /nfs/dbraw/zinc/61/47/17/638614717.db2.gz CRJSDWVFJAOUPA-AGIUHOORSA-N 2 1 296.842 3.245 20 0 CGADMP CSC1CCC(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000925801366 638616435 /nfs/dbraw/zinc/61/64/35/638616435.db2.gz JPAMYOYFQQTLTL-HIFPTAJRSA-N 2 1 279.453 3.067 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925807718 638619175 /nfs/dbraw/zinc/61/91/75/638619175.db2.gz WTHDKCRUDWCVNY-MGPQQGTHSA-N 2 1 261.413 3.002 20 0 CGADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCc2c[nH+]cn2C)CC1 ZINC000926204371 638740047 /nfs/dbraw/zinc/74/00/47/638740047.db2.gz SFEDUEAOKRBCCJ-HUUCEWRRSA-N 2 1 261.413 3.077 20 0 CGADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCc2c[nH+]cn2C)CC1 ZINC000926204370 638740839 /nfs/dbraw/zinc/74/08/39/638740839.db2.gz SFEDUEAOKRBCCJ-GJZGRUSLSA-N 2 1 261.413 3.077 20 0 CGADMP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926510566 638779753 /nfs/dbraw/zinc/77/97/53/638779753.db2.gz VHOHCDHANYVJAH-XDQVBPFNSA-N 2 1 290.373 3.181 20 0 CGADMP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926510566 638779755 /nfs/dbraw/zinc/77/97/55/638779755.db2.gz VHOHCDHANYVJAH-XDQVBPFNSA-N 2 1 290.373 3.181 20 0 CGADMP C1C[C@H]2CC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]1S2 ZINC000926705433 638801502 /nfs/dbraw/zinc/80/15/02/638801502.db2.gz XWVDFZBGXJEIDP-ZBSSRIJBSA-N 2 1 294.508 3.410 20 0 CGADMP C1C[C@H]2CC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]1S2 ZINC000926705433 638801503 /nfs/dbraw/zinc/80/15/03/638801503.db2.gz XWVDFZBGXJEIDP-ZBSSRIJBSA-N 2 1 294.508 3.410 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC000926785769 638811617 /nfs/dbraw/zinc/81/16/17/638811617.db2.gz NEMJLANWNHCQHW-JKSUJKDBSA-N 2 1 270.436 3.367 20 0 CGADMP C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC(F)(F)C1 ZINC000926895973 638822528 /nfs/dbraw/zinc/82/25/28/638822528.db2.gz CAXPHJCPDAFMKJ-WFASDCNBSA-N 2 1 297.393 3.098 20 0 CGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CC(F)(F)C1 ZINC000926895973 638822529 /nfs/dbraw/zinc/82/25/29/638822529.db2.gz CAXPHJCPDAFMKJ-WFASDCNBSA-N 2 1 297.393 3.098 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637283 638936462 /nfs/dbraw/zinc/93/64/62/638936462.db2.gz GVYFJQLNHYVAOU-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637283 638936463 /nfs/dbraw/zinc/93/64/63/638936463.db2.gz GVYFJQLNHYVAOU-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779654 638950267 /nfs/dbraw/zinc/95/02/67/638950267.db2.gz GYIXLVOWKCZNHH-DOTOQJQBSA-N 2 1 275.440 3.003 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@@H]1C ZINC000929779990 638950299 /nfs/dbraw/zinc/95/02/99/638950299.db2.gz JTZLMAYBFAWGOQ-LXFSFDBISA-N 2 1 286.410 3.082 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@@H]1C ZINC000929779990 638950301 /nfs/dbraw/zinc/95/03/01/638950301.db2.gz JTZLMAYBFAWGOQ-LXFSFDBISA-N 2 1 286.410 3.082 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@@H]1C ZINC000929779990 638950304 /nfs/dbraw/zinc/95/03/04/638950304.db2.gz JTZLMAYBFAWGOQ-LXFSFDBISA-N 2 1 286.410 3.082 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779656 638950664 /nfs/dbraw/zinc/95/06/64/638950664.db2.gz GYIXLVOWKCZNHH-RDJZCZTQSA-N 2 1 275.440 3.003 20 0 CGADMP C[C@H](CCc1ccccc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511402 639162884 /nfs/dbraw/zinc/16/28/84/639162884.db2.gz LRJVSFAMKNOXAJ-CQSZACIVSA-N 2 1 281.403 3.043 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511402 639162888 /nfs/dbraw/zinc/16/28/88/639162888.db2.gz LRJVSFAMKNOXAJ-CQSZACIVSA-N 2 1 281.403 3.043 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC(C)(F)F)CCN1c1cc[nH+]cc1 ZINC000931684107 639187591 /nfs/dbraw/zinc/18/75/91/639187591.db2.gz OLAUTISJZTZHJC-CYBMUJFWSA-N 2 1 283.366 3.028 20 0 CGADMP CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547605 639459901 /nfs/dbraw/zinc/45/99/01/639459901.db2.gz OFLBFXOSBHXUPN-UHFFFAOYSA-N 2 1 258.409 3.093 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000157383482 639989752 /nfs/dbraw/zinc/98/97/52/639989752.db2.gz IVWDLOQFSQSIPH-GOEBONIOSA-N 2 1 278.415 3.077 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C/C=C/Cl ZINC000189948765 640217516 /nfs/dbraw/zinc/21/75/16/640217516.db2.gz QQFSYXVVZQPILK-IUGNXXBASA-N 2 1 292.854 3.485 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C)cc2)C1 ZINC000081571268 640542544 /nfs/dbraw/zinc/54/25/44/640542544.db2.gz BNVOCOQOEDAAMT-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C)cc2)C1 ZINC000081571268 640542548 /nfs/dbraw/zinc/54/25/48/640542548.db2.gz BNVOCOQOEDAAMT-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000081571268 640542556 /nfs/dbraw/zinc/54/25/56/640542556.db2.gz BNVOCOQOEDAAMT-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000081571268 640542561 /nfs/dbraw/zinc/54/25/61/640542561.db2.gz BNVOCOQOEDAAMT-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)oc2C)[C@H](C)C1 ZINC000093639336 640778614 /nfs/dbraw/zinc/77/86/14/640778614.db2.gz ROGBRJCOPJXJAC-WBMJQRKESA-N 2 1 264.413 3.059 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)oc2C)[C@H](C)C1 ZINC000093639336 640778618 /nfs/dbraw/zinc/77/86/18/640778618.db2.gz ROGBRJCOPJXJAC-WBMJQRKESA-N 2 1 264.413 3.059 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)oc2C)[C@H](C)C1 ZINC000093639336 640778622 /nfs/dbraw/zinc/77/86/22/640778622.db2.gz ROGBRJCOPJXJAC-WBMJQRKESA-N 2 1 264.413 3.059 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)o1 ZINC000093683708 640779812 /nfs/dbraw/zinc/77/98/12/640779812.db2.gz PESXFFGOTNNPQA-MRXNPFEDSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)o1 ZINC000093683708 640779818 /nfs/dbraw/zinc/77/98/18/640779818.db2.gz PESXFFGOTNNPQA-MRXNPFEDSA-N 2 1 276.424 3.204 20 0 CGADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCCCC1 ZINC000415136941 640858752 /nfs/dbraw/zinc/85/87/52/640858752.db2.gz IGFXKGHLUQLBNK-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCCCC1 ZINC000415136941 640858756 /nfs/dbraw/zinc/85/87/56/640858756.db2.gz IGFXKGHLUQLBNK-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1cn2cc(Nc3cccc4c3CC[NH2+]C4)ccc2[nH+]1 ZINC001159266199 806070683 /nfs/dbraw/zinc/07/06/83/806070683.db2.gz KYAULLVQRJFZQQ-UHFFFAOYSA-N 2 1 278.359 3.032 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001159580766 806125072 /nfs/dbraw/zinc/12/50/72/806125072.db2.gz ZFVZVFNGSOCVSL-UHFFFAOYSA-N 2 1 298.434 3.436 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1ccc(Cl)cc1 ZINC001253203422 806183090 /nfs/dbraw/zinc/18/30/90/806183090.db2.gz GYVYDCCGQUHRJK-JKSUJKDBSA-N 2 1 298.858 3.083 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)ccc1Cl ZINC001253407003 806215822 /nfs/dbraw/zinc/21/58/22/806215822.db2.gz BZINLVXLMIBOSS-JSGCOSHPSA-N 2 1 298.858 3.048 20 0 CGADMP CCCCC[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253533391 806237942 /nfs/dbraw/zinc/23/79/42/806237942.db2.gz QPQHDSHJPHCBKH-MSOLQXFVSA-N 2 1 296.499 3.268 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC001254500117 806420737 /nfs/dbraw/zinc/42/07/37/806420737.db2.gz FLGGGLYTUSHCKI-JKSUJKDBSA-N 2 1 264.388 3.351 20 0 CGADMP Cc1cccc2c(CC[NH3+])cn([C@H]3CCC[N@H+](C)CC3)c21 ZINC001254500148 806421175 /nfs/dbraw/zinc/42/11/75/806421175.db2.gz GFKJLJHOZOIXNU-INIZCTEOSA-N 2 1 285.435 3.108 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC001254500025 806421670 /nfs/dbraw/zinc/42/16/70/806421670.db2.gz SLQJLQSFGVUPLW-LBPRGKRZSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC001254500025 806421675 /nfs/dbraw/zinc/42/16/75/806421675.db2.gz SLQJLQSFGVUPLW-LBPRGKRZSA-N 2 1 270.779 3.053 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1cc(F)cc(F)c1 ZINC001254506017 806425359 /nfs/dbraw/zinc/42/53/59/806425359.db2.gz NLYVMDADYRQMOU-IAQYHMDHSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cc(F)cc(F)c1 ZINC001254506017 806425362 /nfs/dbraw/zinc/42/53/62/806425362.db2.gz NLYVMDADYRQMOU-IAQYHMDHSA-N 2 1 268.351 3.100 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(OC)c1 ZINC001254507349 806426797 /nfs/dbraw/zinc/42/67/97/806426797.db2.gz LFXAHFVDBVPJOP-NVXWUHKLSA-N 2 1 276.424 3.220 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(C)o1 ZINC001254509281 806428980 /nfs/dbraw/zinc/42/89/80/806428980.db2.gz XZYOHXVSUDQBCJ-UONOGXRCSA-N 2 1 250.386 3.113 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(C)o1 ZINC001254509281 806428984 /nfs/dbraw/zinc/42/89/84/806428984.db2.gz XZYOHXVSUDQBCJ-UONOGXRCSA-N 2 1 250.386 3.113 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH+](C)CC1 ZINC001254529510 806441255 /nfs/dbraw/zinc/44/12/55/806441255.db2.gz NBIYEIQWXWNRMC-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254529510 806441262 /nfs/dbraw/zinc/44/12/62/806441262.db2.gz NBIYEIQWXWNRMC-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254529510 806441265 /nfs/dbraw/zinc/44/12/65/806441265.db2.gz NBIYEIQWXWNRMC-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP COc1cccc(CCC[N@@H+](C)[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254529883 806442470 /nfs/dbraw/zinc/44/24/70/806442470.db2.gz SJNNMISADOSZNW-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254529883 806442476 /nfs/dbraw/zinc/44/24/76/806442476.db2.gz SJNNMISADOSZNW-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254529883 806442480 /nfs/dbraw/zinc/44/24/80/806442480.db2.gz SJNNMISADOSZNW-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCSCC1 ZINC001255094402 806541486 /nfs/dbraw/zinc/54/14/86/806541486.db2.gz WJMXSYRAQWUDQQ-JKSUJKDBSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCSCC1 ZINC001255094402 806541489 /nfs/dbraw/zinc/54/14/89/806541489.db2.gz WJMXSYRAQWUDQQ-JKSUJKDBSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCSCC1 ZINC001255094402 806541495 /nfs/dbraw/zinc/54/14/95/806541495.db2.gz WJMXSYRAQWUDQQ-JKSUJKDBSA-N 2 1 282.497 3.221 20 0 CGADMP CC1([NH2+][C@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC001255278429 806591189 /nfs/dbraw/zinc/59/11/89/806591189.db2.gz FIABFYBPCDACJD-INIZCTEOSA-N 2 1 290.476 3.136 20 0 CGADMP F[C@H]1CC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399404 806632929 /nfs/dbraw/zinc/63/29/29/806632929.db2.gz RHRXZNMZFFBMQW-IRXDYDNUSA-N 2 1 276.399 3.085 20 0 CGADMP F[C@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399404 806632933 /nfs/dbraw/zinc/63/29/33/806632933.db2.gz RHRXZNMZFFBMQW-IRXDYDNUSA-N 2 1 276.399 3.085 20 0 CGADMP F[C@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399404 806632937 /nfs/dbraw/zinc/63/29/37/806632937.db2.gz RHRXZNMZFFBMQW-IRXDYDNUSA-N 2 1 276.399 3.085 20 0 CGADMP F[C@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399404 806632939 /nfs/dbraw/zinc/63/29/39/806632939.db2.gz RHRXZNMZFFBMQW-IRXDYDNUSA-N 2 1 276.399 3.085 20 0 CGADMP c1coc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255383406 806630423 /nfs/dbraw/zinc/63/04/23/806630423.db2.gz IWGKNUGOPKBKJU-SFHVURJKSA-N 2 1 298.430 3.466 20 0 CGADMP C[C@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399702 806633442 /nfs/dbraw/zinc/63/34/42/806633442.db2.gz XVLSYRFURACHDP-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399702 806633446 /nfs/dbraw/zinc/63/34/46/806633446.db2.gz XVLSYRFURACHDP-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399702 806633452 /nfs/dbraw/zinc/63/34/52/806633452.db2.gz XVLSYRFURACHDP-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC4CC(C4)C3)CC2)cc1 ZINC001255409005 806634548 /nfs/dbraw/zinc/63/45/48/806634548.db2.gz RXZDNHXRMBVOQO-ACBHZAAOSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC4CC(C4)C3)CC2)cc1 ZINC001255409005 806634553 /nfs/dbraw/zinc/63/45/53/806634553.db2.gz RXZDNHXRMBVOQO-ACBHZAAOSA-N 2 1 284.447 3.383 20 0 CGADMP COC1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255454620 806643689 /nfs/dbraw/zinc/64/36/89/806643689.db2.gz UCPVUKXYWRBSOU-SVOYEFRLSA-N 2 1 294.483 3.459 20 0 CGADMP C[N@H+]1CCC[C@@H](n2cc(CC[NH3+])c3cc(Cl)ccc32)C1 ZINC001255471361 806646588 /nfs/dbraw/zinc/64/65/88/806646588.db2.gz XUQQAIRTTBAQOP-CQSZACIVSA-N 2 1 291.826 3.063 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644613 798871437 /nfs/dbraw/zinc/87/14/37/798871437.db2.gz FKORKZIXOQEVAN-YOEHRIQHSA-N 2 1 288.435 3.004 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649515 798872228 /nfs/dbraw/zinc/87/22/28/798872228.db2.gz MSTNOWUWGQJTMQ-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674099 806702190 /nfs/dbraw/zinc/70/21/90/806702190.db2.gz KIHUQYVPNMEOTE-YFVFXCHESA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674099 806702194 /nfs/dbraw/zinc/70/21/94/806702194.db2.gz KIHUQYVPNMEOTE-YFVFXCHESA-N 2 1 250.430 3.265 20 0 CGADMP C[C@H]1CCCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255675069 806702236 /nfs/dbraw/zinc/70/22/36/806702236.db2.gz YHQPREGKDJRNCW-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255675069 806702244 /nfs/dbraw/zinc/70/22/44/806702244.db2.gz YHQPREGKDJRNCW-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255675069 806702248 /nfs/dbraw/zinc/70/22/48/806702248.db2.gz YHQPREGKDJRNCW-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255675069 806702254 /nfs/dbraw/zinc/70/22/54/806702254.db2.gz YHQPREGKDJRNCW-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](C)C1CC[NH+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255708716 806713669 /nfs/dbraw/zinc/71/36/69/806713669.db2.gz NPEYNKCXXKEQOB-WCQYABFASA-N 2 1 278.362 3.134 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000312945852 799230361 /nfs/dbraw/zinc/23/03/61/799230361.db2.gz QPVHIARZCDWDMH-INIZCTEOSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+](CC[NH3+])C(C)C)cc1 ZINC001255748117 806733490 /nfs/dbraw/zinc/73/34/90/806733490.db2.gz BYTPVSSASDROAY-AWEZNQCLSA-N 2 1 266.454 3.145 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+](CC[NH3+])C(C)C)cc1 ZINC001255748117 806733493 /nfs/dbraw/zinc/73/34/93/806733493.db2.gz BYTPVSSASDROAY-AWEZNQCLSA-N 2 1 266.454 3.145 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001255748616 806733791 /nfs/dbraw/zinc/73/37/91/806733791.db2.gz DIPCWDFGOABHOQ-CABCVRRESA-N 2 1 278.465 3.017 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000381951867 799391630 /nfs/dbraw/zinc/39/16/30/799391630.db2.gz CWVRRDKVHOXYDA-OTBWCIGPSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000384085201 799411168 /nfs/dbraw/zinc/41/11/68/799411168.db2.gz AAFVPCSMAYYRTG-NIOBXDJOSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000387305207 799446021 /nfs/dbraw/zinc/44/60/21/799446021.db2.gz ZFKCKMROPWOYBL-OCCSQVGLSA-N 2 1 270.367 3.270 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000401911315 799559150 /nfs/dbraw/zinc/55/91/50/799559150.db2.gz XGSDMORWAZITFC-AWEZNQCLSA-N 2 1 295.858 3.398 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000401911315 799559153 /nfs/dbraw/zinc/55/91/53/799559153.db2.gz XGSDMORWAZITFC-AWEZNQCLSA-N 2 1 295.858 3.398 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255834261 806762319 /nfs/dbraw/zinc/76/23/19/806762319.db2.gz FXILNUIVLLIVAT-LLLHUVSDSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255834261 806762324 /nfs/dbraw/zinc/76/23/24/806762324.db2.gz FXILNUIVLLIVAT-LLLHUVSDSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C/C=C\Cl ZINC000588560109 799711454 /nfs/dbraw/zinc/71/14/54/799711454.db2.gz QQFSYXVVZQPILK-LLDCWGLXSA-N 2 1 292.854 3.485 20 0 CGADMP C[N@@H+](CCc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688007140 799742395 /nfs/dbraw/zinc/74/23/95/799742395.db2.gz PUODWROPUSQHSS-UHFFFAOYSA-N 2 1 292.473 3.130 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693559418 799811750 /nfs/dbraw/zinc/81/17/50/799811750.db2.gz LGHUNRISMAFGDH-GYSYKLTISA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1(Cl)CC1 ZINC000695634709 799830195 /nfs/dbraw/zinc/83/01/95/799830195.db2.gz BGIRCOHNGVIJAR-STQMWFEESA-N 2 1 258.837 3.000 20 0 CGADMP C[C@H]1CC(F)(F)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000697637135 799846736 /nfs/dbraw/zinc/84/67/36/799846736.db2.gz JGHAKLROKJFUQQ-FUDCBSFHSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@@H]1CC(F)(F)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000697637721 799847571 /nfs/dbraw/zinc/84/75/71/799847571.db2.gz JGHAKLROKJFUQQ-RLAWYHOSSA-N 2 1 272.383 3.027 20 0 CGADMP CC(C)C[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699235642 799857640 /nfs/dbraw/zinc/85/76/40/799857640.db2.gz UPPDDJBQDPXGTK-UYTSQGDYSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700817572 799880397 /nfs/dbraw/zinc/88/03/97/799880397.db2.gz VQXWWLJRLUUMJN-ZBFHGGJFSA-N 2 1 278.415 3.078 20 0 CGADMP CC1(C)CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000703806973 799930409 /nfs/dbraw/zinc/93/04/09/799930409.db2.gz NPIUBJZHZRUEEN-GOOCMWNKSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1 ZINC001255947837 806794459 /nfs/dbraw/zinc/79/44/59/806794459.db2.gz XHEIGSNABWLLCP-CJNGLKHVSA-N 2 1 298.858 3.083 20 0 CGADMP C[C@H]1C[N@H+](C2CCC3(CCCC3)CC2)C[C@H]1C[NH3+] ZINC000708836896 799996416 /nfs/dbraw/zinc/99/64/16/799996416.db2.gz RDYJCMZIBATFSA-UONOGXRCSA-N 2 1 250.430 3.016 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708861779 799998533 /nfs/dbraw/zinc/99/85/33/799998533.db2.gz JRALDBKVHMACRH-INIZCTEOSA-N 2 1 252.446 3.408 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000710169018 800030313 /nfs/dbraw/zinc/03/03/13/800030313.db2.gz DULZQXSJUNYFBV-BWTSREIZSA-N 2 1 296.458 3.429 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000710169018 800030320 /nfs/dbraw/zinc/03/03/20/800030320.db2.gz DULZQXSJUNYFBV-BWTSREIZSA-N 2 1 296.458 3.429 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCCCCC[NH3+] ZINC000710828194 800041030 /nfs/dbraw/zinc/04/10/30/800041030.db2.gz HBUMMYYVRMHJRJ-LBPRGKRZSA-N 2 1 270.367 3.477 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCCC1 ZINC000711088194 800046735 /nfs/dbraw/zinc/04/67/35/800046735.db2.gz BJOPHWHIDQVLKK-YYIAUSFCSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC001255963596 806800220 /nfs/dbraw/zinc/80/02/20/806800220.db2.gz JEPOKXOMYLQREJ-CYBMUJFWSA-N 2 1 266.454 3.227 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC001255963596 806800230 /nfs/dbraw/zinc/80/02/30/806800230.db2.gz JEPOKXOMYLQREJ-CYBMUJFWSA-N 2 1 266.454 3.227 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000714316159 800119645 /nfs/dbraw/zinc/11/96/45/800119645.db2.gz QIOUKYVYZHILSV-DJIMGWMZSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC001255973031 806804641 /nfs/dbraw/zinc/80/46/41/806804641.db2.gz XHGTYGRIWGOSRE-INIZCTEOSA-N 2 1 274.452 3.474 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC001255973031 806804650 /nfs/dbraw/zinc/80/46/50/806804650.db2.gz XHGTYGRIWGOSRE-INIZCTEOSA-N 2 1 274.452 3.474 20 0 CGADMP CCC1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000714959670 800129812 /nfs/dbraw/zinc/12/98/12/800129812.db2.gz HCCOCDPNNUIACT-GRAKBVBRSA-N 2 1 250.430 3.029 20 0 CGADMP CCC1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000714959670 800129814 /nfs/dbraw/zinc/12/98/14/800129814.db2.gz HCCOCDPNNUIACT-GRAKBVBRSA-N 2 1 250.430 3.029 20 0 CGADMP Fc1cccc(Cl)c1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066158 806809031 /nfs/dbraw/zinc/80/90/31/806809031.db2.gz WCZFSBOMBLDDFD-UHFFFAOYSA-N 2 1 296.817 3.238 20 0 CGADMP CC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716717162 800178196 /nfs/dbraw/zinc/17/81/96/800178196.db2.gz IUJIGYJCZRAXGC-RWHFTWSDSA-N 2 1 284.447 3.428 20 0 CGADMP CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712549 800178665 /nfs/dbraw/zinc/17/86/65/800178665.db2.gz MOVQNNOVTGJAOB-BBWFWOEESA-N 2 1 258.409 3.039 20 0 CGADMP c1ccc(C[C@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256076115 806813412 /nfs/dbraw/zinc/81/34/12/806813412.db2.gz BMQNCGICGFYMEQ-QGZVFWFLSA-N 2 1 284.447 3.178 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256076115 806813418 /nfs/dbraw/zinc/81/34/18/806813418.db2.gz BMQNCGICGFYMEQ-QGZVFWFLSA-N 2 1 284.447 3.178 20 0 CGADMP FC1CC2(C1)CCC[N@@H+](C1CCN(C3CC3)CC1)CC2 ZINC001256081132 806817073 /nfs/dbraw/zinc/81/70/73/806817073.db2.gz PMVKDWOTCKHVFO-UHFFFAOYSA-N 2 1 280.431 3.217 20 0 CGADMP FC1CC2(C1)CCC[N@H+](C1CCN(C3CC3)CC1)CC2 ZINC001256081132 806817082 /nfs/dbraw/zinc/81/70/82/806817082.db2.gz PMVKDWOTCKHVFO-UHFFFAOYSA-N 2 1 280.431 3.217 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723701821 800338050 /nfs/dbraw/zinc/33/80/50/800338050.db2.gz RKSPVUHLYCWGDT-RYUDHWBXSA-N 2 1 286.341 3.437 20 0 CGADMP CSCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000725124930 800374021 /nfs/dbraw/zinc/37/40/21/800374021.db2.gz XUDIXJXSSRQACE-MRXNPFEDSA-N 2 1 290.476 3.124 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000824969659 800472878 /nfs/dbraw/zinc/47/28/78/800472878.db2.gz HTJHWKODCNZENV-AGIUHOORSA-N 2 1 293.282 3.280 20 0 CGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001256197237 806847613 /nfs/dbraw/zinc/84/76/13/806847613.db2.gz CPTXSNATZLHRCY-INIZCTEOSA-N 2 1 264.388 3.207 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)cc(Cl)c1 ZINC001256201693 806849014 /nfs/dbraw/zinc/84/90/14/806849014.db2.gz KUHZWCXYWOCLAI-SNVBAGLBSA-N 2 1 270.779 3.224 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn(C2CC[NH+](C)CC2)n1 ZINC001256209192 806850540 /nfs/dbraw/zinc/85/05/40/806850540.db2.gz UANCKYJPYCSPAU-HNNXBMFYSA-N 2 1 298.434 3.001 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256528119 806911631 /nfs/dbraw/zinc/91/16/31/806911631.db2.gz XWLRUZSQMOEIKN-QSPRXWTASA-N 2 1 276.399 3.130 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256528119 806911635 /nfs/dbraw/zinc/91/16/35/806911635.db2.gz XWLRUZSQMOEIKN-QSPRXWTASA-N 2 1 276.399 3.130 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256541686 806912281 /nfs/dbraw/zinc/91/22/81/806912281.db2.gz MPZGISDPOZMFNO-NUJGCVRESA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256541686 806912283 /nfs/dbraw/zinc/91/22/83/806912283.db2.gz MPZGISDPOZMFNO-NUJGCVRESA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256541686 806912285 /nfs/dbraw/zinc/91/22/85/806912285.db2.gz MPZGISDPOZMFNO-NUJGCVRESA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256541686 806912288 /nfs/dbraw/zinc/91/22/88/806912288.db2.gz MPZGISDPOZMFNO-NUJGCVRESA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538894 806912904 /nfs/dbraw/zinc/91/29/04/806912904.db2.gz VOZZMRLTJNYWKI-DQEVTTJGSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538894 806912910 /nfs/dbraw/zinc/91/29/10/806912910.db2.gz VOZZMRLTJNYWKI-DQEVTTJGSA-N 2 1 284.447 3.428 20 0 CGADMP Cc1cc(C)c(NCC2([NH+](C)C)CC[NH+](C)CC2)c(C)c1 ZINC001164211316 806915708 /nfs/dbraw/zinc/91/57/08/806915708.db2.gz PPXWUKVOIGQHMK-UHFFFAOYSA-N 2 1 289.467 3.050 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3ccncc32)CC1 ZINC001256568686 806918267 /nfs/dbraw/zinc/91/82/67/806918267.db2.gz AYNMUQHGXZYOGZ-QGZVFWFLSA-N 2 1 287.451 3.312 20 0 CGADMP C[C@H]1C[C@@H](CF)[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256603980 806924119 /nfs/dbraw/zinc/92/41/19/806924119.db2.gz LFARVVYXFRMDJS-YJBOKZPZSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@H]1C[C@@H](CF)N(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603980 806924122 /nfs/dbraw/zinc/92/41/22/806924122.db2.gz LFARVVYXFRMDJS-YJBOKZPZSA-N 2 1 290.426 3.331 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629440 806932117 /nfs/dbraw/zinc/93/21/17/806932117.db2.gz FYZOWOOIGFVDJV-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629440 806932123 /nfs/dbraw/zinc/93/21/23/806932123.db2.gz FYZOWOOIGFVDJV-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629440 806932126 /nfs/dbraw/zinc/93/21/26/806932126.db2.gz FYZOWOOIGFVDJV-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP Cc1ccc2cc[nH+]c(N3C[C@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001164462796 806951647 /nfs/dbraw/zinc/95/16/47/806951647.db2.gz ULFHOXJHYKEXEB-KGLIPLIRSA-N 2 1 269.392 3.107 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC001116296431 802328255 /nfs/dbraw/zinc/32/82/55/802328255.db2.gz UCOCWKHLGLPSON-OKZBNKHCSA-N 2 1 272.436 3.006 20 0 CGADMP CS[C@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC001116708839 802400605 /nfs/dbraw/zinc/40/06/05/802400605.db2.gz BGHZKEQCXBTKEV-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001117745830 802485348 /nfs/dbraw/zinc/48/53/48/802485348.db2.gz XWRHIRBRWCJPKX-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001117745830 802485351 /nfs/dbraw/zinc/48/53/51/802485351.db2.gz XWRHIRBRWCJPKX-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001117745830 802485353 /nfs/dbraw/zinc/48/53/53/802485353.db2.gz XWRHIRBRWCJPKX-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001117745830 802485356 /nfs/dbraw/zinc/48/53/56/802485356.db2.gz XWRHIRBRWCJPKX-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC001117953990 802513139 /nfs/dbraw/zinc/51/31/39/802513139.db2.gz WDYPADHZFNBYRY-OAHLLOKOSA-N 2 1 298.430 3.450 20 0 CGADMP C[NH+](C)Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001176288989 809661773 /nfs/dbraw/zinc/66/17/73/809661773.db2.gz CSJKAFOFPIAQGC-UHFFFAOYSA-N 2 1 295.308 3.328 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001120071213 802733354 /nfs/dbraw/zinc/73/33/54/802733354.db2.gz GUDHHNYVDYTYTO-OUUBHVDSSA-N 2 1 298.474 3.452 20 0 CGADMP CCC1CCC([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CC1 ZINC001256872118 806997524 /nfs/dbraw/zinc/99/75/24/806997524.db2.gz GATJTWMEKYRYCN-UHFFFAOYSA-N 2 1 293.455 3.085 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256893866 806999981 /nfs/dbraw/zinc/99/99/81/806999981.db2.gz AHCLXVSCRUSNRQ-QGZVFWFLSA-N 2 1 290.426 3.365 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256893866 806999984 /nfs/dbraw/zinc/99/99/84/806999984.db2.gz AHCLXVSCRUSNRQ-QGZVFWFLSA-N 2 1 290.426 3.365 20 0 CGADMP [NH3+]CCc1ccc(N[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256898407 807002627 /nfs/dbraw/zinc/00/26/27/807002627.db2.gz LFAQHBZHWUGYKO-QGZVFWFLSA-N 2 1 287.451 3.007 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1scnc1C ZINC001198891089 811549327 /nfs/dbraw/zinc/54/93/27/811549327.db2.gz NBEXTRMDJFWINS-UHFFFAOYSA-N 2 1 269.458 3.053 20 0 CGADMP OC1(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC001256899483 807003159 /nfs/dbraw/zinc/00/31/59/807003159.db2.gz UBTAXPZBFUCITE-MRXNPFEDSA-N 2 1 294.483 3.068 20 0 CGADMP OC1(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CCCCC1 ZINC001256899483 807003165 /nfs/dbraw/zinc/00/31/65/807003165.db2.gz UBTAXPZBFUCITE-MRXNPFEDSA-N 2 1 294.483 3.068 20 0 CGADMP Cc1csc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205306754 812944964 /nfs/dbraw/zinc/94/49/64/812944964.db2.gz ZPTUVZPNTDKANV-ONGXEEELSA-N 2 1 272.845 3.127 20 0 CGADMP Cc1csc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205306754 812944969 /nfs/dbraw/zinc/94/49/69/812944969.db2.gz ZPTUVZPNTDKANV-ONGXEEELSA-N 2 1 272.845 3.127 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206808052 813443753 /nfs/dbraw/zinc/44/37/53/813443753.db2.gz JPYXHVUNNKVBSF-ZBFHGGJFSA-N 2 1 260.425 3.369 20 0 CGADMP C[NH2+]Cc1cccc(-c2ccc(C[N@@H+](C)C3CC3)cn2)c1F ZINC001244859653 803552327 /nfs/dbraw/zinc/55/23/27/803552327.db2.gz TUVYFRXQXFZFDW-UHFFFAOYSA-N 2 1 299.393 3.201 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@H]4CCCN(C)[C@@H]4C3)c[nH]c2c1 ZINC001136976181 803666380 /nfs/dbraw/zinc/66/63/80/803666380.db2.gz ZLYNQCODODYIQC-RDTXWAMCSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccc2c(CN3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976181 803666384 /nfs/dbraw/zinc/66/63/84/803666384.db2.gz ZLYNQCODODYIQC-RDTXWAMCSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccc2c(CN3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976181 803666392 /nfs/dbraw/zinc/66/63/92/803666392.db2.gz ZLYNQCODODYIQC-RDTXWAMCSA-N 2 1 283.419 3.002 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)c(F)c1)C1CCN(C)CC1 ZINC001137653522 803749646 /nfs/dbraw/zinc/74/96/46/803749646.db2.gz WFTXQOHSYPIWJU-UHFFFAOYSA-N 2 1 284.806 3.395 20 0 CGADMP CCN(Cc1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001137653522 803749652 /nfs/dbraw/zinc/74/96/52/803749652.db2.gz WFTXQOHSYPIWJU-UHFFFAOYSA-N 2 1 284.806 3.395 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1 ZINC001138550377 803966294 /nfs/dbraw/zinc/96/62/94/803966294.db2.gz RMWRWZSLAQNKTN-DOTOQJQBSA-N 2 1 267.376 3.165 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)cc1 ZINC001138550377 803966298 /nfs/dbraw/zinc/96/62/98/803966298.db2.gz RMWRWZSLAQNKTN-DOTOQJQBSA-N 2 1 267.376 3.165 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246100474 804133337 /nfs/dbraw/zinc/13/33/37/804133337.db2.gz DWIWDNKENIJIDJ-HYVNUMGLSA-N 2 1 260.425 3.128 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001246100509 804133456 /nfs/dbraw/zinc/13/34/56/804133456.db2.gz FOQSHRSMUIBHOK-IIAWOOMASA-N 2 1 278.465 3.063 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246106413 804138763 /nfs/dbraw/zinc/13/87/63/804138763.db2.gz CVTISNKZIMIWQJ-CZUORRHYSA-N 2 1 298.833 3.342 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246117017 804148357 /nfs/dbraw/zinc/14/83/57/804148357.db2.gz YUGNVCMVRUXGKJ-SOUVJXGZSA-N 2 1 258.425 3.273 20 0 CGADMP Clc1cccc(Cl)c1CC[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246161163 804176888 /nfs/dbraw/zinc/17/68/88/804176888.db2.gz XNSHUIUWZNXYOU-NSHDSACASA-N 2 1 287.234 3.268 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160397 804177813 /nfs/dbraw/zinc/17/78/13/804177813.db2.gz MIFVUDXKNOMHFL-GVDBMIGSSA-N 2 1 282.472 3.236 20 0 CGADMP Clc1ccc(CC[NH2+][C@@H]2CCCC[NH2+]C2)cc1Cl ZINC001246162825 804179754 /nfs/dbraw/zinc/17/97/54/804179754.db2.gz IGAZPJDQZLFCAL-GFCCVEGCSA-N 2 1 287.234 3.268 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC001246169836 804184740 /nfs/dbraw/zinc/18/47/40/804184740.db2.gz OFRUUFBLRFLLAC-NRXISQOPSA-N 2 1 252.446 3.323 20 0 CGADMP CC(C)[NH+](CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1)C(C)C ZINC001246186552 804198276 /nfs/dbraw/zinc/19/82/76/804198276.db2.gz YATNSRHJHGYJTP-UHFFFAOYSA-N 3 1 295.515 3.007 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2 ZINC001246189037 804198599 /nfs/dbraw/zinc/19/85/99/804198599.db2.gz GZZCVGNZJGOAMH-OLZOCXBDSA-N 2 1 299.245 3.192 20 0 CGADMP C[C@@]1([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246192336 804199686 /nfs/dbraw/zinc/19/96/86/804199686.db2.gz ZTCQFUMFYBANLY-BRWVUGGUSA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)(C)C1CCC([NH2+][C@@]2(C)CCC[NH2+]C2)CC1 ZINC001246192041 804199893 /nfs/dbraw/zinc/19/98/93/804199893.db2.gz YEOFPVKLTZYQIO-XUJLQICISA-N 2 1 252.446 3.323 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001246198196 804204738 /nfs/dbraw/zinc/20/47/38/804204738.db2.gz DNIXVLADDOVDCS-VHSXEESVSA-N 2 1 275.223 3.251 20 0 CGADMP Clc1ccccc1CSCC[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246201801 804206550 /nfs/dbraw/zinc/20/65/50/804206550.db2.gz GCHAKCYNQBIAIU-CQSZACIVSA-N 2 1 298.883 3.305 20 0 CGADMP CCCCC[C@@H](C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246219056 804213185 /nfs/dbraw/zinc/21/31/85/804213185.db2.gz FHXUWZAZJVHOBQ-OLZOCXBDSA-N 2 1 262.388 3.180 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)CC[NH2+]2)cc1 ZINC001246223192 804217854 /nfs/dbraw/zinc/21/78/54/804217854.db2.gz QDYFFOQDDGQQBJ-IREHDKGXSA-N 2 1 270.420 3.258 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(F)c2)CC[NH2+]1 ZINC001246225468 804219003 /nfs/dbraw/zinc/21/90/03/804219003.db2.gz MZSXQZPRWIGSKJ-GJZGRUSLSA-N 2 1 294.414 3.235 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2Cl)CC[NH2+]1 ZINC001246262044 804243930 /nfs/dbraw/zinc/24/39/30/804243930.db2.gz HGGIEPHMAQMXRT-ZIAGYGMSSA-N 2 1 266.816 3.269 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246265060 804246719 /nfs/dbraw/zinc/24/67/19/804246719.db2.gz HOMBUGOQHJEBCW-VXGBXAGGSA-N 2 1 298.352 3.425 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC001246276210 804252820 /nfs/dbraw/zinc/25/28/20/804252820.db2.gz KSDCBGPGGUUNKE-IOASZLSFSA-N 2 1 264.388 3.397 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+][C@@H](c1ccccc1F)C1CCC1 ZINC001246284177 804258860 /nfs/dbraw/zinc/25/88/60/804258860.db2.gz ZNUYATFNXRXBQZ-MLGOLLRUSA-N 2 1 264.388 3.255 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246289658 804260131 /nfs/dbraw/zinc/26/01/31/804260131.db2.gz UKEPHKYUWQLBRI-LBPRGKRZSA-N 2 1 266.816 3.132 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299608 804265852 /nfs/dbraw/zinc/26/58/52/804265852.db2.gz LHDJJYAOKWLFSX-RDJZCZTQSA-N 2 1 260.425 3.281 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C(C)C)C1)c1ccc(C)o1 ZINC001246306853 804269157 /nfs/dbraw/zinc/26/91/57/804269157.db2.gz LRRHQIFKYDBBBL-RRFJBIMHSA-N 2 1 264.413 3.405 20 0 CGADMP CC[C@@H]([NH2+][C@H](C)CC[NH2+]C)c1ccc(F)cc1F ZINC001246317747 804277140 /nfs/dbraw/zinc/27/71/40/804277140.db2.gz ONZMWKDXJZOWOZ-QMTHXVAHSA-N 2 1 256.340 3.004 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(O)cc2)CC[NH2+]1 ZINC001246325145 804282161 /nfs/dbraw/zinc/28/21/61/804282161.db2.gz ILTLYDDSMNRXTK-LJHODMEESA-N 2 1 296.414 3.212 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246327288 804283991 /nfs/dbraw/zinc/28/39/91/804283991.db2.gz SMWALYZWBSEJDG-NXHRZFHOSA-N 2 1 274.452 3.374 20 0 CGADMP CCCCCCOC(=O)CCCCC[NH2+][C@@H]1C[NH2+][C@H](C)C1 ZINC001246342489 804293887 /nfs/dbraw/zinc/29/38/87/804293887.db2.gz PNJRRCSSQOAKSZ-CVEARBPZSA-N 2 1 298.471 3.010 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H](COC)c2ccccc2)CC[NH2+]1 ZINC001246357105 804300783 /nfs/dbraw/zinc/30/07/83/804300783.db2.gz VZFSNIZWLPTVCI-BZSNNMDCSA-N 2 1 290.451 3.275 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2n1C ZINC001139872016 804303230 /nfs/dbraw/zinc/30/32/30/804303230.db2.gz BDFPFZCPAJXWCR-UHFFFAOYSA-N 2 1 287.451 3.342 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2n1C ZINC001139872016 804303240 /nfs/dbraw/zinc/30/32/40/804303240.db2.gz BDFPFZCPAJXWCR-UHFFFAOYSA-N 2 1 287.451 3.342 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358607 804304650 /nfs/dbraw/zinc/30/46/50/804304650.db2.gz FVQZJFFGQTZYOV-MGPQQGTHSA-N 2 1 296.480 3.410 20 0 CGADMP CCc1cc2c(cc1CC)CC([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246377222 804312014 /nfs/dbraw/zinc/31/20/14/804312014.db2.gz FOIAULFBPGXPDG-FZKQIMNGSA-N 2 1 286.463 3.009 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)C[NH2+]1 ZINC001246433592 804332627 /nfs/dbraw/zinc/33/26/27/804332627.db2.gz RXWKSDWDWNOFKC-PBHICJAKSA-N 2 1 290.426 3.269 20 0 CGADMP Clc1ncccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001246456763 804337618 /nfs/dbraw/zinc/33/76/18/804337618.db2.gz LTYFTYXHDQAMKV-RLCAUIQDSA-N 2 1 291.826 3.059 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)C[NH2+]1 ZINC001246461966 804341664 /nfs/dbraw/zinc/34/16/64/804341664.db2.gz AYTUXMYXYXMUPQ-PBHICJAKSA-N 2 1 290.426 3.269 20 0 CGADMP CC(C)C1CCC([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC001246493195 804358793 /nfs/dbraw/zinc/35/87/93/804358793.db2.gz XSZPANDQLPBJGN-SHARSMKWSA-N 2 1 288.426 3.426 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC001246501318 804362265 /nfs/dbraw/zinc/36/22/65/804362265.db2.gz ADEUFRXIWBYBGQ-GJZGRUSLSA-N 2 1 280.481 3.439 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246500931 804363099 /nfs/dbraw/zinc/36/30/99/804363099.db2.gz QOPNBQQZJSOBTB-BLLLJJGKSA-N 2 1 294.389 3.462 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001246502923 804363465 /nfs/dbraw/zinc/36/34/65/804363465.db2.gz HSHLULXNSXCSSL-KBPBESRZSA-N 2 1 280.843 3.160 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246514008 804369440 /nfs/dbraw/zinc/36/94/40/804369440.db2.gz ZKZLHXAJMAXVQF-SPUZQDLCSA-N 2 1 272.436 3.443 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246517782 804370888 /nfs/dbraw/zinc/37/08/88/804370888.db2.gz BTFLWVDDMQXDRV-KBAYOESNSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246518173 804370915 /nfs/dbraw/zinc/37/09/15/804370915.db2.gz FILQHUHWHMAZDY-CABCVRRESA-N 2 1 250.430 3.316 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246521221 804377292 /nfs/dbraw/zinc/37/72/92/804377292.db2.gz YGYHLFIQVFFOGR-MRXNPFEDSA-N 2 1 272.436 3.429 20 0 CGADMP CC[N@@H+](C1CC1)[C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246524476 804377899 /nfs/dbraw/zinc/37/78/99/804377899.db2.gz RPYOLKPKHKKTFY-NVXWUHKLSA-N 2 1 276.399 3.412 20 0 CGADMP CCC[N@@H+]([C@H](C)CC)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246528500 804380403 /nfs/dbraw/zinc/38/04/03/804380403.db2.gz HPKNKFFXUDPJDE-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246530550 804380488 /nfs/dbraw/zinc/38/04/88/804380488.db2.gz ZAYJCBLJORXSDJ-CVEARBPZSA-N 2 1 264.388 3.034 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554157 804404191 /nfs/dbraw/zinc/40/41/91/804404191.db2.gz CSBXLLVQRIFFJE-RWMBFGLXSA-N 2 1 262.388 3.117 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554155 804404992 /nfs/dbraw/zinc/40/49/92/804404992.db2.gz CSBXLLVQRIFFJE-AVGNSLFASA-N 2 1 262.388 3.117 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246538597 804387481 /nfs/dbraw/zinc/38/74/81/804387481.db2.gz DBBDBCHSTUIFIB-ZIAGYGMSSA-N 2 1 278.827 3.011 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246538819 804389195 /nfs/dbraw/zinc/38/91/95/804389195.db2.gz OFMFDEBGURHIQK-OIISXLGYSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246549473 804397353 /nfs/dbraw/zinc/39/73/53/804397353.db2.gz GZOBAWZNZUXYFS-UMVBOHGHSA-N 2 1 280.843 3.188 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246548044 804398527 /nfs/dbraw/zinc/39/85/27/804398527.db2.gz FGFSLIJIHZTBIF-HOTGVXAUSA-N 2 1 278.827 3.011 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001246552877 804402785 /nfs/dbraw/zinc/40/27/85/804402785.db2.gz PQWNRQARDQRVFW-WXRRBKDZSA-N 2 1 278.362 3.311 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246551752 804403042 /nfs/dbraw/zinc/40/30/42/804403042.db2.gz QTBFVURRWHLAMU-GJZGRUSLSA-N 2 1 258.425 3.498 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246554063 804404058 /nfs/dbraw/zinc/40/40/58/804404058.db2.gz UWONEEFRMUESTA-CRAIPNDOSA-N 2 1 274.452 3.383 20 0 CGADMP F[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246557187 804405796 /nfs/dbraw/zinc/40/57/96/804405796.db2.gz FTFVXUHSSWWSJH-KZNAEPCWSA-N 2 1 290.426 3.174 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@](C)([NH3+])CC1)CC2 ZINC001246556431 804406658 /nfs/dbraw/zinc/40/66/58/804406658.db2.gz ZSTZYTVLDRBHCA-QZTJIDSGSA-N 2 1 272.436 3.056 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1)C2 ZINC001246561450 804409973 /nfs/dbraw/zinc/40/99/73/804409973.db2.gz SSJUCLNVROSASF-WBAXXEDZSA-N 2 1 286.463 3.159 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246562334 804411577 /nfs/dbraw/zinc/41/15/77/804411577.db2.gz YLTDCBSMIAOKGS-WBVHZDCISA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246562334 804411581 /nfs/dbraw/zinc/41/15/81/804411581.db2.gz YLTDCBSMIAOKGS-WBVHZDCISA-N 2 1 260.425 3.285 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246562897 804412192 /nfs/dbraw/zinc/41/21/92/804412192.db2.gz ICNBALKXHZMYBC-VNHYZAJKSA-N 2 1 280.843 3.330 20 0 CGADMP CCCCCC1CCC([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246564174 804413927 /nfs/dbraw/zinc/41/39/27/804413927.db2.gz WEKBUHUJFDAQDB-DAWZGUTISA-N 2 1 296.499 3.301 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001246567848 804415018 /nfs/dbraw/zinc/41/50/18/804415018.db2.gz MVJKXRWDNZUIGJ-BQFCYCMXSA-N 2 1 274.452 3.233 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246567770 804415113 /nfs/dbraw/zinc/41/51/13/804415113.db2.gz XSZKTFLHMMQSRU-AGIUHOORSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246567770 804415117 /nfs/dbraw/zinc/41/51/17/804415117.db2.gz XSZKTFLHMMQSRU-AGIUHOORSA-N 2 1 298.833 3.469 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246570773 804416697 /nfs/dbraw/zinc/41/66/97/804416697.db2.gz VLOJZKTVQMLJCX-PMPSAXMXSA-N 2 1 252.446 3.428 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1F ZINC001246569341 804417084 /nfs/dbraw/zinc/41/70/84/804417084.db2.gz BZJGGCNFCMYKIV-QLFBSQMISA-N 2 1 268.420 3.121 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1F ZINC001246569341 804417085 /nfs/dbraw/zinc/41/70/85/804417085.db2.gz BZJGGCNFCMYKIV-QLFBSQMISA-N 2 1 268.420 3.121 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CCC[C@H]1C[NH3+] ZINC001246571727 804418628 /nfs/dbraw/zinc/41/86/28/804418628.db2.gz WVZUDPTWNWUHFC-ZOBORPQBSA-N 2 1 292.389 3.414 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1)C2 ZINC001246571529 804419167 /nfs/dbraw/zinc/41/91/67/804419167.db2.gz WEPMTSMJGMSAMV-JQHSSLGASA-N 2 1 286.463 3.159 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246582318 804426710 /nfs/dbraw/zinc/42/67/10/804426710.db2.gz GOCGMBCPWAFYHA-AJNGGQMLSA-N 2 1 258.425 3.353 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246582318 804426713 /nfs/dbraw/zinc/42/67/13/804426713.db2.gz GOCGMBCPWAFYHA-AJNGGQMLSA-N 2 1 258.425 3.353 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC(C(F)(F)F)CC2)CCC[C@@H]1C[NH3+] ZINC001246573075 804420807 /nfs/dbraw/zinc/42/08/07/804420807.db2.gz YYLMVYVHRXZAER-IWMBGFJWSA-N 2 1 292.389 3.414 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246575606 804422953 /nfs/dbraw/zinc/42/29/53/804422953.db2.gz IMQNEMASOBEKCQ-BPCQOVAHSA-N 2 1 296.352 3.260 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246575606 804422956 /nfs/dbraw/zinc/42/29/56/804422956.db2.gz IMQNEMASOBEKCQ-BPCQOVAHSA-N 2 1 296.352 3.260 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001246574869 804423084 /nfs/dbraw/zinc/42/30/84/804423084.db2.gz JJTYJEXUNKUYBJ-MAUKXSAKSA-N 2 1 290.426 3.134 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@](C)(C[NH3+])CC1)CC2 ZINC001246582751 804425795 /nfs/dbraw/zinc/42/57/95/804425795.db2.gz SWHUSIPSMLCPTA-RTBURBONSA-N 2 1 286.463 3.303 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246581535 804426287 /nfs/dbraw/zinc/42/62/87/804426287.db2.gz QLXHXRZXQXNRQD-LSDHHAIUSA-N 2 1 258.425 3.498 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246581535 804426290 /nfs/dbraw/zinc/42/62/90/804426290.db2.gz QLXHXRZXQXNRQD-LSDHHAIUSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246590482 804433330 /nfs/dbraw/zinc/43/33/30/804433330.db2.gz JREPSUZUARXJIU-OAGGEKHMSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246593863 804434973 /nfs/dbraw/zinc/43/49/73/804434973.db2.gz TWTVAPGPVAXFJJ-NFAWXSAZSA-N 2 1 292.854 3.257 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001246594011 804435065 /nfs/dbraw/zinc/43/50/65/804435065.db2.gz UVZFVXKJCRFKIN-MPGHIAIKSA-N 2 1 274.452 3.239 20 0 CGADMP CC(C)[N@@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246593354 804435512 /nfs/dbraw/zinc/43/55/12/804435512.db2.gz MLIWREJFNAXJOE-LVQVYYBASA-N 2 1 264.457 3.274 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@@]34CCC[NH2+]C4)C2)cc1 ZINC001246600459 804438734 /nfs/dbraw/zinc/43/87/34/804438734.db2.gz FZUBVLYYQTYLKV-KZNAEPCWSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@@]34CCC[NH2+]C4)C2)cc1 ZINC001246600459 804438739 /nfs/dbraw/zinc/43/87/39/804438739.db2.gz FZUBVLYYQTYLKV-KZNAEPCWSA-N 2 1 270.420 3.151 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C[C@@H](C)C1 ZINC001246605493 804441602 /nfs/dbraw/zinc/44/16/02/804441602.db2.gz KGFZODVVTMLBHK-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C[C@H]1C ZINC001246608203 804442660 /nfs/dbraw/zinc/44/26/60/804442660.db2.gz IIFIPXMABORXHV-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)COCC[C@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246614239 804448265 /nfs/dbraw/zinc/44/82/65/804448265.db2.gz NEOBXJADHNCAFP-IRXDYDNUSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246614239 804448268 /nfs/dbraw/zinc/44/82/68/804448268.db2.gz NEOBXJADHNCAFP-IRXDYDNUSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246615275 804450268 /nfs/dbraw/zinc/45/02/68/804450268.db2.gz RSOPARLFRGWSSS-ICSRJNTNSA-N 2 1 298.474 3.460 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246615275 804450272 /nfs/dbraw/zinc/45/02/72/804450272.db2.gz RSOPARLFRGWSSS-ICSRJNTNSA-N 2 1 298.474 3.460 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001246619095 804453372 /nfs/dbraw/zinc/45/33/72/804453372.db2.gz HJOUOIPAUWQQDL-OFLPRAFFSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246618607 804453496 /nfs/dbraw/zinc/45/34/96/804453496.db2.gz HVAVPGTZIXEINE-MQIPJXDCSA-N 2 1 296.817 3.094 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246618607 804453502 /nfs/dbraw/zinc/45/35/02/804453502.db2.gz HVAVPGTZIXEINE-MQIPJXDCSA-N 2 1 296.817 3.094 20 0 CGADMP CC1CCC([N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)CC1 ZINC001246618669 804453726 /nfs/dbraw/zinc/45/37/26/804453726.db2.gz ISZDINTUUNFOLO-VMWRSERWSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246623533 804455189 /nfs/dbraw/zinc/45/51/89/804455189.db2.gz AOZUEHCJBNRLAL-BDXSIMOUSA-N 2 1 270.420 3.149 20 0 CGADMP CCCCCC[C@@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246623925 804457231 /nfs/dbraw/zinc/45/72/31/804457231.db2.gz MEAADBLLAPYQND-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C1CC2(CCCC2)[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246625013 804457240 /nfs/dbraw/zinc/45/72/40/804457240.db2.gz OLWZGCVLFDGLCX-OAHLLOKOSA-N 2 1 262.441 3.460 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC(C)(C)C1 ZINC001246624168 804457316 /nfs/dbraw/zinc/45/73/16/804457316.db2.gz CLVKXSJIUVOWQS-HLLBOEOZSA-N 2 1 264.457 3.277 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246626739 804457343 /nfs/dbraw/zinc/45/73/43/804457343.db2.gz YKSQMSASJCIQMZ-LPHOPBHVSA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246626739 804457345 /nfs/dbraw/zinc/45/73/45/804457345.db2.gz YKSQMSASJCIQMZ-LPHOPBHVSA-N 2 1 286.463 3.398 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001246625725 804457509 /nfs/dbraw/zinc/45/75/09/804457509.db2.gz SNJIZFGYOYTIOO-YQQAZPJKSA-N 2 1 290.476 3.159 20 0 CGADMP C[C@H]1CC([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C[C@H](C)C1 ZINC001246626872 804459323 /nfs/dbraw/zinc/45/93/23/804459323.db2.gz VIUCJRHQFSAOPF-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001246629025 804460820 /nfs/dbraw/zinc/46/08/20/804460820.db2.gz MOMVLZZBHLIKCO-YTQUADARSA-N 2 1 286.463 3.248 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246634083 804463776 /nfs/dbraw/zinc/46/37/76/804463776.db2.gz ZUQQRERVONEQBR-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633376 804464026 /nfs/dbraw/zinc/46/40/26/804464026.db2.gz DHGHFTPHPPLPAL-ROUUACIJSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633376 804464029 /nfs/dbraw/zinc/46/40/29/804464029.db2.gz DHGHFTPHPPLPAL-ROUUACIJSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246640615 804467014 /nfs/dbraw/zinc/46/70/14/804467014.db2.gz ADVSBNCUDJEUIZ-PBHICJAKSA-N 2 1 292.854 3.489 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246640615 804467017 /nfs/dbraw/zinc/46/70/17/804467017.db2.gz ADVSBNCUDJEUIZ-PBHICJAKSA-N 2 1 292.854 3.489 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246642185 804469316 /nfs/dbraw/zinc/46/93/16/804469316.db2.gz LAZOMRWTFAJDCW-KRWDZBQOSA-N 2 1 272.436 3.226 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246642540 804470536 /nfs/dbraw/zinc/47/05/36/804470536.db2.gz WSPBHNKEYCZZQA-ZWKOTPCHSA-N 2 1 296.499 3.437 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643945 804470568 /nfs/dbraw/zinc/47/05/68/804470568.db2.gz OMGRCBKZGMKGRN-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643945 804470573 /nfs/dbraw/zinc/47/05/73/804470573.db2.gz OMGRCBKZGMKGRN-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC001246644678 804471856 /nfs/dbraw/zinc/47/18/56/804471856.db2.gz LEMIGWNLYWRFAW-VNQPRFMTSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644539 804472371 /nfs/dbraw/zinc/47/23/71/804472371.db2.gz RESFQABJFXBNAO-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644539 804472373 /nfs/dbraw/zinc/47/23/73/804472373.db2.gz RESFQABJFXBNAO-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246648815 804475265 /nfs/dbraw/zinc/47/52/65/804475265.db2.gz ZQJKJTCNYBZPGT-WMLDXEAASA-N 2 1 276.424 3.065 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@]23CCC[NH2+]C3)C1 ZINC001246654529 804480411 /nfs/dbraw/zinc/48/04/11/804480411.db2.gz WKLMQICMZDCVRQ-OAGGEKHMSA-N 2 1 250.430 3.173 20 0 CGADMP c1cc2ccncc2c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001140639936 804481211 /nfs/dbraw/zinc/48/12/11/804481211.db2.gz SZAOSDDCPAGDLD-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246656954 804482680 /nfs/dbraw/zinc/48/26/80/804482680.db2.gz PMQPNNZBGPGAKQ-JJXSEGSLSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246656954 804482687 /nfs/dbraw/zinc/48/26/87/804482687.db2.gz PMQPNNZBGPGAKQ-JJXSEGSLSA-N 2 1 264.457 3.275 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246658782 804484160 /nfs/dbraw/zinc/48/41/60/804484160.db2.gz AOZUEHCJBNRLAL-FJIDUMEYSA-N 2 1 270.420 3.149 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246660071 804484388 /nfs/dbraw/zinc/48/43/88/804484388.db2.gz OGUNMCUIDHMHJE-XSLAGTTESA-N 2 1 272.436 3.065 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246663437 804485580 /nfs/dbraw/zinc/48/55/80/804485580.db2.gz UXWNOOSBGGFVTQ-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246663437 804485583 /nfs/dbraw/zinc/48/55/83/804485583.db2.gz UXWNOOSBGGFVTQ-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCCC[C@@H](CCC)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663940 804486266 /nfs/dbraw/zinc/48/62/66/804486266.db2.gz NYQBBFMGNAYMCZ-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663940 804486268 /nfs/dbraw/zinc/48/62/68/804486268.db2.gz NYQBBFMGNAYMCZ-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001246664962 804486877 /nfs/dbraw/zinc/48/68/77/804486877.db2.gz PPXRJLYDJQMUTA-FJBKBRRZSA-N 2 1 264.457 3.418 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246670035 804488373 /nfs/dbraw/zinc/48/83/73/804488373.db2.gz UTTNGDPHGGBUJW-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246676304 804491839 /nfs/dbraw/zinc/49/18/39/804491839.db2.gz DCVUQCDWDQDVTD-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C1 ZINC001246678744 804492737 /nfs/dbraw/zinc/49/27/37/804492737.db2.gz YMTGMEACUVDQHI-QXCFHYIPSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)CCC[NH3+] ZINC001246680506 804494026 /nfs/dbraw/zinc/49/40/26/804494026.db2.gz JXIFWASAKDJOQI-JTQLQIEISA-N 2 1 290.785 3.220 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246684904 804496190 /nfs/dbraw/zinc/49/61/90/804496190.db2.gz BMUCHONBEFDYEO-QGZVFWFLSA-N 2 1 260.425 3.082 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246690688 804496978 /nfs/dbraw/zinc/49/69/78/804496978.db2.gz LAMLVAJBUILSBS-IRXDYDNUSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001246689305 804497714 /nfs/dbraw/zinc/49/77/14/804497714.db2.gz IKUVAGMUBTUWQL-VGWMRTNUSA-N 2 1 284.463 3.456 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001246690393 804497829 /nfs/dbraw/zinc/49/78/29/804497829.db2.gz KLEPRGPRGAVYRH-GQGLESIBSA-N 2 1 282.447 3.225 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246687123 804497849 /nfs/dbraw/zinc/49/78/49/804497849.db2.gz VGTDSRQOEZZQPA-QXDIGNSFSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246767240 804501163 /nfs/dbraw/zinc/50/11/63/804501163.db2.gz AVYWCNCCFHQDRD-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246767846 804501359 /nfs/dbraw/zinc/50/13/59/804501359.db2.gz CKXJLBNYQXKFMR-ROUUACIJSA-N 2 1 272.436 3.349 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246770708 804503427 /nfs/dbraw/zinc/50/34/27/804503427.db2.gz RKTKSICMDNQDHE-IRXDYDNUSA-N 2 1 260.425 3.203 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246773590 804504328 /nfs/dbraw/zinc/50/43/28/804504328.db2.gz BEBBTTANSKWWJR-NBMJBFSESA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@H](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246773588 804505257 /nfs/dbraw/zinc/50/52/57/804505257.db2.gz BEBBTTANSKWWJR-JFIYKMOQSA-N 2 1 286.463 3.470 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246782597 804508248 /nfs/dbraw/zinc/50/82/48/804508248.db2.gz SZUCMZHVKVOGGZ-UAGQMJEPSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246782597 804508254 /nfs/dbraw/zinc/50/82/54/804508254.db2.gz SZUCMZHVKVOGGZ-UAGQMJEPSA-N 2 1 258.409 3.272 20 0 CGADMP CC1(C)CC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246782459 804508779 /nfs/dbraw/zinc/50/87/79/804508779.db2.gz KMYHSQOVNNTQPH-CVEARBPZSA-N 2 1 258.409 3.212 20 0 CGADMP CC1(C)CC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246782459 804508782 /nfs/dbraw/zinc/50/87/82/804508782.db2.gz KMYHSQOVNNTQPH-CVEARBPZSA-N 2 1 258.409 3.212 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CCCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246791560 804515700 /nfs/dbraw/zinc/51/57/00/804515700.db2.gz LJIQGKIFXJLMIR-IAGOWNOFSA-N 2 1 270.420 3.008 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246795182 804517610 /nfs/dbraw/zinc/51/76/10/804517610.db2.gz IMZVNFHANUERLZ-HNNXBMFYSA-N 2 1 278.827 3.447 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001246796166 804519283 /nfs/dbraw/zinc/51/92/83/804519283.db2.gz LMUPHCKLCDGJRF-HNNXBMFYSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(F)c1 ZINC001140801968 804521228 /nfs/dbraw/zinc/52/12/28/804521228.db2.gz MMGFPIRUCFAYHK-UHFFFAOYSA-N 2 1 269.323 3.334 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(F)c1 ZINC001140801968 804521234 /nfs/dbraw/zinc/52/12/34/804521234.db2.gz MMGFPIRUCFAYHK-UHFFFAOYSA-N 2 1 269.323 3.334 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246799479 804522279 /nfs/dbraw/zinc/52/22/79/804522279.db2.gz UZGHTDDWVKPTLF-AWEZNQCLSA-N 2 1 278.415 3.078 20 0 CGADMP C1CCC2(C1)CC[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246807144 804525086 /nfs/dbraw/zinc/52/50/86/804525086.db2.gz NBPJPRHEAFWCTD-WBVHZDCISA-N 2 1 262.441 3.175 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246815956 804531921 /nfs/dbraw/zinc/53/19/21/804531921.db2.gz FVIAWIKYLXRMDS-UHFFFAOYSA-N 2 1 288.410 3.454 20 0 CGADMP C[C@H]1CC([N@@H+](C)CCc2ccccc2Cl)C[C@H](C)[NH2+]1 ZINC001246815800 804532607 /nfs/dbraw/zinc/53/26/07/804532607.db2.gz AUTPTLCONZOREO-STQMWFEESA-N 2 1 280.843 3.343 20 0 CGADMP C1C[C@@H]2CCC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)[C@H]2C1 ZINC001246821630 804534772 /nfs/dbraw/zinc/53/47/72/804534772.db2.gz TVGDSAOCKGOCKD-NCOADZHNSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@@H]1CC([N@@H+](C)CCc2cccc(Cl)c2)C[C@@H](C)[NH2+]1 ZINC001246823322 804536575 /nfs/dbraw/zinc/53/65/75/804536575.db2.gz NRSBVLLGCXTKBX-CHWSQXEVSA-N 2 1 280.843 3.343 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246822672 804536603 /nfs/dbraw/zinc/53/66/03/804536603.db2.gz MIZQSLDOJJEIQE-YXJHDRRASA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)CCc2ccccc2Cl)CC[NH2+]1 ZINC001246824117 804537604 /nfs/dbraw/zinc/53/76/04/804537604.db2.gz QCQAWEAGLTYSPE-HUUCEWRRSA-N 2 1 280.843 3.345 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1C[C@@H]3CCC[C@@H](C3)C1)C2 ZINC001246835766 804545047 /nfs/dbraw/zinc/54/50/47/804545047.db2.gz UEGXWPWPECWTQI-YVSFHVDLSA-N 2 1 262.441 3.031 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246839356 804548467 /nfs/dbraw/zinc/54/84/67/804548467.db2.gz ABPPANFGUMOFCD-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001246844588 804554815 /nfs/dbraw/zinc/55/48/15/804554815.db2.gz ZJQYUJFPYIZOQI-YJBOKZPZSA-N 2 1 274.452 3.111 20 0 CGADMP CCC(CC)[N@@H+](C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246847539 804556006 /nfs/dbraw/zinc/55/60/06/804556006.db2.gz TYCZCUVMMCGDNJ-WMZOPIPTSA-N 2 1 274.452 3.470 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246851067 804559608 /nfs/dbraw/zinc/55/96/08/804559608.db2.gz YDOWTOAQIKZTJG-NXHRZFHOSA-N 2 1 290.426 3.392 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246849986 804560841 /nfs/dbraw/zinc/56/08/41/804560841.db2.gz SQEJVWCEHIZFQP-OIISXLGYSA-N 2 1 276.399 3.146 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001246852263 804561439 /nfs/dbraw/zinc/56/14/39/804561439.db2.gz IFNVEOQIBVTCFL-JWHDQAAXSA-N 2 1 284.447 3.211 20 0 CGADMP Clc1ccc([C@H]2CC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246851597 804562470 /nfs/dbraw/zinc/56/24/70/804562470.db2.gz LYSYUYIYEVBKJA-GOEBONIOSA-N 2 1 278.827 3.271 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246853572 804564108 /nfs/dbraw/zinc/56/41/08/804564108.db2.gz RIELHOFHVKYVGU-ZVZYQTTQSA-N 2 1 290.451 3.465 20 0 CGADMP Fc1cccc2c1CC[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246862987 804568554 /nfs/dbraw/zinc/56/85/54/804568554.db2.gz OMACTKONBIJWOT-OAHLLOKOSA-N 2 1 288.410 3.106 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246866508 804568888 /nfs/dbraw/zinc/56/88/88/804568888.db2.gz VAXGUBAZZNQYDG-CHWSQXEVSA-N 2 1 264.388 3.177 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3c(F)cccc3C2)C[C@H](CC)[NH2+]1 ZINC001246865274 804569987 /nfs/dbraw/zinc/56/99/87/804569987.db2.gz XSPCHAAJVAAQLY-MUJYYYPQSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3c(F)cccc3C2)C[C@H](CC)[NH2+]1 ZINC001246865274 804569990 /nfs/dbraw/zinc/56/99/90/804569990.db2.gz XSPCHAAJVAAQLY-MUJYYYPQSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3c(F)cccc3C2)C[C@H](CC)[NH2+]1 ZINC001246865276 804570148 /nfs/dbraw/zinc/57/01/48/804570148.db2.gz XSPCHAAJVAAQLY-ZSHCYNCHSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3c(F)cccc3C2)C[C@H](CC)[NH2+]1 ZINC001246865276 804570151 /nfs/dbraw/zinc/57/01/51/804570151.db2.gz XSPCHAAJVAAQLY-ZSHCYNCHSA-N 2 1 290.426 3.493 20 0 CGADMP c1cn(C2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c2ccccc12 ZINC001246867252 804570394 /nfs/dbraw/zinc/57/03/94/804570394.db2.gz HPOBTCIQAIGSGS-SFHVURJKSA-N 2 1 297.446 3.420 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CCOC3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246865096 804570508 /nfs/dbraw/zinc/57/05/08/804570508.db2.gz WFAOUNOGQYXPRX-FVQHAEBGSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCOC3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246865096 804570510 /nfs/dbraw/zinc/57/05/10/804570510.db2.gz WFAOUNOGQYXPRX-FVQHAEBGSA-N 2 1 294.483 3.331 20 0 CGADMP CCCCC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880746 804576693 /nfs/dbraw/zinc/57/66/93/804576693.db2.gz QSHKPERLUXMDCJ-QRQLOZEOSA-N 2 1 286.463 3.428 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246885885 804579912 /nfs/dbraw/zinc/57/99/12/804579912.db2.gz GIBGQWOGOTWYNZ-OWCLPIDISA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246895424 804585368 /nfs/dbraw/zinc/58/53/68/804585368.db2.gz SNPIEFQOTOPLQU-GVDBMIGSSA-N 2 1 276.399 3.493 20 0 CGADMP CCC[N@@H+]([C@@H](C)Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246899874 804586610 /nfs/dbraw/zinc/58/66/10/804586610.db2.gz SDIGPQCBXVGOCA-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246905695 804590170 /nfs/dbraw/zinc/59/01/70/804590170.db2.gz FSBMXUDFTGRJBI-LBPRGKRZSA-N 2 1 298.833 3.484 20 0 CGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cocn3)CC2)CC1 ZINC001141132218 804595730 /nfs/dbraw/zinc/59/57/30/804595730.db2.gz FIMJILWBCSKBNL-UHFFFAOYSA-N 2 1 291.439 3.009 20 0 CGADMP C[C@@H]1CC([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC001246921290 804601930 /nfs/dbraw/zinc/60/19/30/804601930.db2.gz PKAMHYHGNYZYPZ-KBUPBQIOSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@H]3CCCC[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC001246921290 804601937 /nfs/dbraw/zinc/60/19/37/804601937.db2.gz PKAMHYHGNYZYPZ-KBUPBQIOSA-N 2 1 250.430 3.028 20 0 CGADMP COCC[N@H+](C1CCC2(CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246925923 804603594 /nfs/dbraw/zinc/60/35/94/804603594.db2.gz AXGYOKGKVDWLKH-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP COCC[N@@H+](C1CCC2(CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246925923 804603596 /nfs/dbraw/zinc/60/35/96/804603596.db2.gz AXGYOKGKVDWLKH-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246930356 804604873 /nfs/dbraw/zinc/60/48/73/804604873.db2.gz IXIYKZBFOKRJNC-VQHPVUNQSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246937355 804609231 /nfs/dbraw/zinc/60/92/31/804609231.db2.gz LJOLNIHVSPUSIT-GOEBONIOSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC(C)C)[C@@H]1CCCNC1 ZINC001246951865 804616437 /nfs/dbraw/zinc/61/64/37/804616437.db2.gz GATPATTYBQTGJH-ZWKOTPCHSA-N 2 1 297.531 3.207 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246951865 804616441 /nfs/dbraw/zinc/61/64/41/804616441.db2.gz GATPATTYBQTGJH-ZWKOTPCHSA-N 2 1 297.531 3.207 20 0 CGADMP CCOCC[N@@H+]([C@@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001246951312 804616857 /nfs/dbraw/zinc/61/68/57/804616857.db2.gz TZWSHYXXQOESIV-INIZCTEOSA-N 2 1 282.472 3.212 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]CC2)c1C ZINC001246967709 804620821 /nfs/dbraw/zinc/62/08/21/804620821.db2.gz NWBLAUXSJSHAIA-QGZVFWFLSA-N 2 1 272.436 3.410 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246974614 804624462 /nfs/dbraw/zinc/62/44/62/804624462.db2.gz KTCDPSOXDAMNLP-ZSYWTGECSA-N 2 1 286.463 3.457 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246977045 804624564 /nfs/dbraw/zinc/62/45/64/804624564.db2.gz RPUZDMVYSISEQK-JJXSEGSLSA-N 2 1 252.446 3.260 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)C[C@@H]1C ZINC001246977958 804626056 /nfs/dbraw/zinc/62/60/56/804626056.db2.gz RVFYSBDTWNFKRU-KEYYUXOJSA-N 2 1 264.457 3.418 20 0 CGADMP CCCCC(CCCC)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246987086 804628282 /nfs/dbraw/zinc/62/82/82/804628282.db2.gz MHKWZALZYDYLRH-UHFFFAOYSA-N 2 1 297.531 3.351 20 0 CGADMP CCCCC(CCCC)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246987086 804628284 /nfs/dbraw/zinc/62/82/84/804628284.db2.gz MHKWZALZYDYLRH-UHFFFAOYSA-N 2 1 297.531 3.351 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001247001162 804634772 /nfs/dbraw/zinc/63/47/72/804634772.db2.gz JLTNUFZOEKICFP-SJLPKXTDSA-N 2 1 274.452 3.377 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247004253 804635329 /nfs/dbraw/zinc/63/53/29/804635329.db2.gz RIHKLDSPFBKZCA-CJNGLKHVSA-N 2 1 280.843 3.332 20 0 CGADMP CC1(C)CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247013088 804641635 /nfs/dbraw/zinc/64/16/35/804641635.db2.gz FNKVELMUSZDEPU-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247013088 804641636 /nfs/dbraw/zinc/64/16/36/804641636.db2.gz FNKVELMUSZDEPU-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015842 804643572 /nfs/dbraw/zinc/64/35/72/804643572.db2.gz QLPHVDJINWWLQY-UNEWFSDZSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015842 804643576 /nfs/dbraw/zinc/64/35/76/804643576.db2.gz QLPHVDJINWWLQY-UNEWFSDZSA-N 2 1 292.854 3.345 20 0 CGADMP Cc1cccc(Nc2ccc(OCCC[NH+](C)C)cc2)[nH+]1 ZINC001248403135 804929936 /nfs/dbraw/zinc/92/99/36/804929936.db2.gz GBFLYULTYQUFMW-UHFFFAOYSA-N 2 1 285.391 3.464 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc2c1CCC2 ZINC001249458168 805154571 /nfs/dbraw/zinc/15/45/71/805154571.db2.gz JGLOQQIUFBYUQR-UHFFFAOYSA-N 2 1 272.436 3.093 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2c1CCC2 ZINC001249458168 805154577 /nfs/dbraw/zinc/15/45/77/805154577.db2.gz JGLOQQIUFBYUQR-UHFFFAOYSA-N 2 1 272.436 3.093 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(C2CC2)cc[nH+]1 ZINC001155025361 805526706 /nfs/dbraw/zinc/52/67/06/805526706.db2.gz NNFXNFRILMIXLT-WFASDCNBSA-N 2 1 259.397 3.007 20 0 CGADMP Cc1ccc(NCC[C@@H]2CCC[N@@H+](C)C2)c(C[NH+](C)C)c1 ZINC001165301279 806990692 /nfs/dbraw/zinc/99/06/92/806990692.db2.gz ZLGQJGNESYXTQZ-INIZCTEOSA-N 2 1 289.467 3.200 20 0 CGADMP C[C@H]1CCC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC001256861232 806994176 /nfs/dbraw/zinc/99/41/76/806994176.db2.gz TVPLVODVESPZFY-GJZGRUSLSA-N 2 1 273.424 3.171 20 0 CGADMP [NH3+]Cc1cc2ccncc2n1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908608 807008096 /nfs/dbraw/zinc/00/80/96/807008096.db2.gz PJHCMPAIBTVBMU-INIZCTEOSA-N 2 1 298.434 3.075 20 0 CGADMP CCCC(CCC)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001257334060 807113005 /nfs/dbraw/zinc/11/30/05/807113005.db2.gz ZJDOFGUOGIJXCG-UHFFFAOYSA-N 3 1 285.520 3.431 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001167824661 807255814 /nfs/dbraw/zinc/25/58/14/807255814.db2.gz DOEIGIRPNPNCGE-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2cccc2[C@H]1C ZINC001167833519 807256959 /nfs/dbraw/zinc/25/69/59/807256959.db2.gz BZSNQZFXMIARBU-HZPDHXFCSA-N 2 1 277.456 3.375 20 0 CGADMP Cc1cc2c(cn1)[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258008082 807264186 /nfs/dbraw/zinc/26/41/86/807264186.db2.gz CYYCSBRYTJYKGN-GOSISDBHSA-N 2 1 287.451 3.087 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+](C)Cc2cccs2)CC1 ZINC001258014478 807267738 /nfs/dbraw/zinc/26/77/38/807267738.db2.gz LRAGBRMEYGZNLM-UHFFFAOYSA-N 2 1 266.454 3.300 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2cccs2)CC1 ZINC001258014478 807267744 /nfs/dbraw/zinc/26/77/44/807267744.db2.gz LRAGBRMEYGZNLM-UHFFFAOYSA-N 2 1 266.454 3.300 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCCCC1)C2 ZINC001167983847 807290006 /nfs/dbraw/zinc/29/00/06/807290006.db2.gz JSFUMBAEWVLVAC-SJPCQFCGSA-N 2 1 262.441 3.268 20 0 CGADMP CC[C@@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167989159 807293447 /nfs/dbraw/zinc/29/34/47/807293447.db2.gz YBLQLMZNUXAFET-SLHHOWHOSA-N 2 1 250.430 3.122 20 0 CGADMP CC[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167989159 807293450 /nfs/dbraw/zinc/29/34/50/807293450.db2.gz YBLQLMZNUXAFET-SLHHOWHOSA-N 2 1 250.430 3.122 20 0 CGADMP CC[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167989159 807293458 /nfs/dbraw/zinc/29/34/58/807293458.db2.gz YBLQLMZNUXAFET-SLHHOWHOSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001168142423 807322271 /nfs/dbraw/zinc/32/22/71/807322271.db2.gz CRAPJCDNYRVAGM-QAPCUYQASA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001168323187 807384018 /nfs/dbraw/zinc/38/40/18/807384018.db2.gz UGBBTHWTMRIUBM-HIFPTAJRSA-N 2 1 278.362 3.134 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)C1CCC([NH+](C)C)CC1 ZINC001168327952 807384929 /nfs/dbraw/zinc/38/49/29/807384929.db2.gz VALHHABXHUCRMJ-UHFFFAOYSA-N 2 1 289.467 3.209 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001258599812 807498043 /nfs/dbraw/zinc/49/80/43/807498043.db2.gz JIBFLYYXIMAKHK-ILXRZTDVSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168745233 807504289 /nfs/dbraw/zinc/50/42/89/807504289.db2.gz UYJKCNRDKGSZLT-OAHLLOKOSA-N 2 1 294.870 3.471 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001258654122 807524148 /nfs/dbraw/zinc/52/41/48/807524148.db2.gz HRZVPFIEBNVGLG-NXHRZFHOSA-N 2 1 274.452 3.328 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001258654122 807524153 /nfs/dbraw/zinc/52/41/53/807524153.db2.gz HRZVPFIEBNVGLG-NXHRZFHOSA-N 2 1 274.452 3.328 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258674034 807539355 /nfs/dbraw/zinc/53/93/55/807539355.db2.gz RCDXNHLUHUROEU-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@H](CCC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258674034 807539362 /nfs/dbraw/zinc/53/93/62/807539362.db2.gz RCDXNHLUHUROEU-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@H](CCC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258674034 807539367 /nfs/dbraw/zinc/53/93/67/807539367.db2.gz RCDXNHLUHUROEU-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258713386 807563759 /nfs/dbraw/zinc/56/37/59/807563759.db2.gz HQJAOXRXEOZKGS-OTWHNJEPSA-N 2 1 286.463 3.281 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258713386 807563764 /nfs/dbraw/zinc/56/37/64/807563764.db2.gz HQJAOXRXEOZKGS-OTWHNJEPSA-N 2 1 286.463 3.281 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169078792 807567102 /nfs/dbraw/zinc/56/71/02/807567102.db2.gz GURSNRFCZPMMNM-OSYLJGHBSA-N 2 1 258.409 3.018 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169093447 807573489 /nfs/dbraw/zinc/57/34/89/807573489.db2.gz HPYSDEHNBJXJPC-NXOAAHMSSA-N 2 1 276.399 3.492 20 0 CGADMP Cc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096890 807573891 /nfs/dbraw/zinc/57/38/91/807573891.db2.gz ZKLXWPSXODLYQK-MUJYYYPQSA-N 2 1 278.827 3.363 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC001169093794 807574219 /nfs/dbraw/zinc/57/42/19/807574219.db2.gz JDKYYIPVUWSGKU-QKDCVEJESA-N 2 1 278.465 3.204 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCc1ccccc1)C2 ZINC001169108506 807577753 /nfs/dbraw/zinc/57/77/53/807577753.db2.gz ABFYSPFTYJYCMZ-BCDXTJNWSA-N 2 1 272.436 3.224 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101214 807578632 /nfs/dbraw/zinc/57/86/32/807578632.db2.gz PGJGATIPFDRWCC-MUQADHOPSA-N 2 1 299.462 3.220 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC001169107609 807579426 /nfs/dbraw/zinc/57/94/26/807579426.db2.gz IGJDLVUFFUPHSY-XLMAVXFVSA-N 2 1 288.435 3.361 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(N(C)C)c1 ZINC001169118593 807583796 /nfs/dbraw/zinc/58/37/96/807583796.db2.gz LHWLJIMTWUQKSE-PLYYQAHHSA-N 2 1 287.451 3.028 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1cccc(Cl)c1 ZINC001258739368 807585076 /nfs/dbraw/zinc/58/50/76/807585076.db2.gz XSDDMSWHFUMYKE-NSHDSACASA-N 2 1 277.799 3.150 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126573 807585845 /nfs/dbraw/zinc/58/58/45/807585845.db2.gz WSJFKAYBLHKXNK-MXASKKJJSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126573 807585850 /nfs/dbraw/zinc/58/58/50/807585850.db2.gz WSJFKAYBLHKXNK-MXASKKJJSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126573 807585855 /nfs/dbraw/zinc/58/58/55/807585855.db2.gz WSJFKAYBLHKXNK-MXASKKJJSA-N 2 1 270.420 3.231 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC3(CC(F)C3)CC1)C2 ZINC001169153685 807596320 /nfs/dbraw/zinc/59/63/20/807596320.db2.gz LCNTZGJRFHAJCE-JSGMBBGDSA-N 2 1 280.431 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC3(CC(F)C3)CC1)C2 ZINC001169153685 807596326 /nfs/dbraw/zinc/59/63/26/807596326.db2.gz LCNTZGJRFHAJCE-JSGMBBGDSA-N 2 1 280.431 3.216 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC3(CC(F)C3)CC1)C2 ZINC001169153685 807596329 /nfs/dbraw/zinc/59/63/29/807596329.db2.gz LCNTZGJRFHAJCE-JSGMBBGDSA-N 2 1 280.431 3.216 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC3(CC(F)C3)CC1)C2 ZINC001169153685 807596333 /nfs/dbraw/zinc/59/63/33/807596333.db2.gz LCNTZGJRFHAJCE-JSGMBBGDSA-N 2 1 280.431 3.216 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+](CCOC)C1CCN(C)CC1 ZINC001258763354 807599969 /nfs/dbraw/zinc/59/99/69/807599969.db2.gz OIFSHDBCKGTVBH-MRXNPFEDSA-N 2 1 284.488 3.388 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cc(C)cc(F)c2)CC1 ZINC001258766850 807602451 /nfs/dbraw/zinc/60/24/51/807602451.db2.gz GFVZEBUFQZQDIA-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC001258771532 807604924 /nfs/dbraw/zinc/60/49/24/807604924.db2.gz IBACIYGBLUZEOV-KRWDZBQOSA-N 2 1 272.436 3.350 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC001169230101 807610109 /nfs/dbraw/zinc/61/01/09/807610109.db2.gz PXGQVQXUMNDPRV-MRXNPFEDSA-N 2 1 278.827 3.401 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258786204 807612004 /nfs/dbraw/zinc/61/20/04/807612004.db2.gz ZLENZYCVEFKZPO-JONQDZQNSA-N 2 1 282.472 3.172 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001169240461 807613217 /nfs/dbraw/zinc/61/32/17/807613217.db2.gz IXUCRNHFENAHDY-QGZVFWFLSA-N 2 1 276.399 3.351 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258897722 807667806 /nfs/dbraw/zinc/66/78/06/807667806.db2.gz BMWSLPCAXYONMX-KRWDZBQOSA-N 3 1 285.520 3.209 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258897722 807667807 /nfs/dbraw/zinc/66/78/07/807667807.db2.gz BMWSLPCAXYONMX-KRWDZBQOSA-N 3 1 285.520 3.209 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001258909868 807672596 /nfs/dbraw/zinc/67/25/96/807672596.db2.gz KAOARCVXMOYJKM-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP CCCCc1nc(NCC23CC[NH+](CC2)CC3)cc(C)[nH+]1 ZINC001169795363 807710233 /nfs/dbraw/zinc/71/02/33/807710233.db2.gz PDCZESSZSFOQMA-UHFFFAOYSA-N 2 1 288.439 3.025 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001261566687 807757837 /nfs/dbraw/zinc/75/78/37/807757837.db2.gz WFRSQFVKJCUNEC-HNNXBMFYSA-N 2 1 288.439 3.052 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC001170145609 807775198 /nfs/dbraw/zinc/77/51/98/807775198.db2.gz UVJXAXPORXFGEJ-HOCLYGCPSA-N 2 1 252.446 3.227 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccccc1Cl ZINC001170250644 807805031 /nfs/dbraw/zinc/80/50/31/807805031.db2.gz QIGZOLJFRXORTR-ZDUSSCGKSA-N 2 1 268.832 3.330 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170250375 807805455 /nfs/dbraw/zinc/80/54/55/807805455.db2.gz LLKQTSSMBQJROY-GFCCVEGCSA-N 2 1 277.799 3.066 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001170274339 807810894 /nfs/dbraw/zinc/81/08/94/807810894.db2.gz BQEGGAIDOAEPIK-IMJJTQAJSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001170274339 807810902 /nfs/dbraw/zinc/81/09/02/807810902.db2.gz BQEGGAIDOAEPIK-IMJJTQAJSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001170274339 807810910 /nfs/dbraw/zinc/81/09/10/807810910.db2.gz BQEGGAIDOAEPIK-IMJJTQAJSA-N 2 1 292.854 3.155 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001170602338 807865921 /nfs/dbraw/zinc/86/59/21/807865921.db2.gz ZYAZZXDMBPUWDK-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170914152 807932548 /nfs/dbraw/zinc/93/25/48/807932548.db2.gz HMNCTWIXNXJPSW-HACGYAERSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170914152 807932551 /nfs/dbraw/zinc/93/25/51/807932551.db2.gz HMNCTWIXNXJPSW-HACGYAERSA-N 2 1 292.854 3.127 20 0 CGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171790233 808140700 /nfs/dbraw/zinc/14/07/00/808140700.db2.gz GXHMQKSPBVZHCQ-ZBFHGGJFSA-N 2 1 290.426 3.134 20 0 CGADMP FCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061933 808168514 /nfs/dbraw/zinc/16/85/14/808168514.db2.gz KCLSAWHIFQLNHE-BJWYYQGGSA-N 2 1 276.399 3.131 20 0 CGADMP FCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061933 808168518 /nfs/dbraw/zinc/16/85/18/808168518.db2.gz KCLSAWHIFQLNHE-BJWYYQGGSA-N 2 1 276.399 3.131 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC001172098496 808170751 /nfs/dbraw/zinc/17/07/51/808170751.db2.gz ACWZBGMDMGRZKL-ZSOGYDGISA-N 2 1 280.362 3.070 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccnc3ccccc13)C2 ZINC001172099348 808171401 /nfs/dbraw/zinc/17/14/01/808171401.db2.gz JMMCCDYTWWAYAM-BJWYYQGGSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc3ccccc3cn1)C2 ZINC001172101722 808171837 /nfs/dbraw/zinc/17/18/37/808171837.db2.gz ADIGXWWZXFGOKJ-GGPHIMKMSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)CCCCC1)C2 ZINC001172101508 808171935 /nfs/dbraw/zinc/17/19/35/808171935.db2.gz ZDUJWGJQNGYNHG-QDMKHBRRSA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)CCCCC1)C2 ZINC001172101508 808171938 /nfs/dbraw/zinc/17/19/38/808171938.db2.gz ZDUJWGJQNGYNHG-QDMKHBRRSA-N 2 1 250.430 3.314 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172100238 808172186 /nfs/dbraw/zinc/17/21/86/808172186.db2.gz BWQZHLVHRYGUDL-DZUCGIPZSA-N 2 1 258.409 3.353 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100238 808172188 /nfs/dbraw/zinc/17/21/88/808172188.db2.gz BWQZHLVHRYGUDL-DZUCGIPZSA-N 2 1 258.409 3.353 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001172102869 808173472 /nfs/dbraw/zinc/17/34/72/808173472.db2.gz PVWFVJSIJFZWCP-WCXIOVBPSA-N 2 1 287.451 3.446 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCc1ccccn1)C2 ZINC001172105533 808177013 /nfs/dbraw/zinc/17/70/13/808177013.db2.gz IXUYTGWMZKORJB-NNZMDNLPSA-N 2 1 287.451 3.009 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001172111250 808179049 /nfs/dbraw/zinc/17/90/49/808179049.db2.gz QWLFLNALSVFVFD-ADHGMGHFSA-N 2 1 288.410 3.287 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001172111250 808179053 /nfs/dbraw/zinc/17/90/53/808179053.db2.gz QWLFLNALSVFVFD-ADHGMGHFSA-N 2 1 288.410 3.287 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3)CC1)C2 ZINC001172119021 808181283 /nfs/dbraw/zinc/18/12/83/808181283.db2.gz VEKAGZMCGQSWNY-NNZMDNLPSA-N 2 1 284.447 3.323 20 0 CGADMP CC(C)[N@H+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121521 808182184 /nfs/dbraw/zinc/18/21/84/808182184.db2.gz KHEXGUSRGKDSLT-MUJYYYPQSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121521 808182187 /nfs/dbraw/zinc/18/21/87/808182187.db2.gz KHEXGUSRGKDSLT-MUJYYYPQSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[NH+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121521 808182191 /nfs/dbraw/zinc/18/21/91/808182191.db2.gz KHEXGUSRGKDSLT-MUJYYYPQSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[NH+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121521 808182192 /nfs/dbraw/zinc/18/21/92/808182192.db2.gz KHEXGUSRGKDSLT-MUJYYYPQSA-N 2 1 250.430 3.122 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001172122051 808182214 /nfs/dbraw/zinc/18/22/14/808182214.db2.gz WCDCUDRLFZYFPO-KFESYUHLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001172122051 808182216 /nfs/dbraw/zinc/18/22/16/808182216.db2.gz WCDCUDRLFZYFPO-KFESYUHLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001172122051 808182220 /nfs/dbraw/zinc/18/22/20/808182220.db2.gz WCDCUDRLFZYFPO-KFESYUHLSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001172122227 808182247 /nfs/dbraw/zinc/18/22/47/808182247.db2.gz YABRPLXTACHNBQ-DGAVXFQQSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001172122227 808182248 /nfs/dbraw/zinc/18/22/48/808182248.db2.gz YABRPLXTACHNBQ-DGAVXFQQSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001172122227 808182251 /nfs/dbraw/zinc/18/22/51/808182251.db2.gz YABRPLXTACHNBQ-DGAVXFQQSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001172122227 808182253 /nfs/dbraw/zinc/18/22/53/808182253.db2.gz YABRPLXTACHNBQ-DGAVXFQQSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C)(C)CC1)C2 ZINC001172122004 808182794 /nfs/dbraw/zinc/18/27/94/808182794.db2.gz OSRZNALCNMHEOE-FICVDOATSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C)(C)CC1)C2 ZINC001172122004 808182799 /nfs/dbraw/zinc/18/27/99/808182799.db2.gz OSRZNALCNMHEOE-FICVDOATSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172119791 808183249 /nfs/dbraw/zinc/18/32/49/808183249.db2.gz HYJLUDLTDKWBGH-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172119791 808183251 /nfs/dbraw/zinc/18/32/51/808183251.db2.gz HYJLUDLTDKWBGH-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172119791 808183254 /nfs/dbraw/zinc/18/32/54/808183254.db2.gz HYJLUDLTDKWBGH-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119791 808183257 /nfs/dbraw/zinc/18/32/57/808183257.db2.gz HYJLUDLTDKWBGH-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)C2 ZINC001172119290 808183375 /nfs/dbraw/zinc/18/33/75/808183375.db2.gz YBFOOYKNNMYQEP-XMTFNYHQSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)C2 ZINC001172119290 808183377 /nfs/dbraw/zinc/18/33/77/808183377.db2.gz YBFOOYKNNMYQEP-XMTFNYHQSA-N 2 1 285.435 3.138 20 0 CGADMP C[C@@H]1CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122248 808183468 /nfs/dbraw/zinc/18/34/68/808183468.db2.gz YHQPREGKDJRNCW-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122248 808183471 /nfs/dbraw/zinc/18/34/71/808183471.db2.gz YHQPREGKDJRNCW-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172122248 808183473 /nfs/dbraw/zinc/18/34/73/808183473.db2.gz YHQPREGKDJRNCW-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172122248 808183476 /nfs/dbraw/zinc/18/34/76/808183476.db2.gz YHQPREGKDJRNCW-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP Cc1ccc2c(c1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172129487 808186364 /nfs/dbraw/zinc/18/63/64/808186364.db2.gz AXZMUDUDAMSBNI-REPLKXPHSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172129487 808186369 /nfs/dbraw/zinc/18/63/69/808186369.db2.gz AXZMUDUDAMSBNI-REPLKXPHSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172129487 808186373 /nfs/dbraw/zinc/18/63/73/808186373.db2.gz AXZMUDUDAMSBNI-REPLKXPHSA-N 2 1 284.447 3.368 20 0 CGADMP CC1(C)C[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172281601 808213864 /nfs/dbraw/zinc/21/38/64/808213864.db2.gz KTZLOGZEWUVUHX-FVQBIDKESA-N 2 1 280.456 3.068 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404897 808293290 /nfs/dbraw/zinc/29/32/90/808293290.db2.gz NRUDJOIYZNRWAV-OWCLPIDISA-N 2 1 252.446 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404897 808293295 /nfs/dbraw/zinc/29/32/95/808293295.db2.gz NRUDJOIYZNRWAV-OWCLPIDISA-N 2 1 252.446 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404897 808293300 /nfs/dbraw/zinc/29/33/00/808293300.db2.gz NRUDJOIYZNRWAV-OWCLPIDISA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172462262 808332234 /nfs/dbraw/zinc/33/22/34/808332234.db2.gz NYQPOKDVCWQZES-IRXDYDNUSA-N 2 1 284.488 3.292 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172549554 808379685 /nfs/dbraw/zinc/37/96/85/808379685.db2.gz QHTGJQDWCWRFAK-MSOLQXFVSA-N 2 1 295.430 3.468 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172549554 808379693 /nfs/dbraw/zinc/37/96/93/808379693.db2.gz QHTGJQDWCWRFAK-MSOLQXFVSA-N 2 1 295.430 3.468 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1CC(C)(C)OC(C)(C)C1 ZINC001172661190 808412293 /nfs/dbraw/zinc/41/22/93/808412293.db2.gz QPKODIYKTUHEHR-UHFFFAOYSA-N 2 1 284.488 3.386 20 0 CGADMP c1cn2c(n1)CC[N@@H+](C1CCC3(CCCC3)CC1)CC2 ZINC001172729996 808423093 /nfs/dbraw/zinc/42/30/93/808423093.db2.gz QXCWXFFVUBLASI-UHFFFAOYSA-N 2 1 273.424 3.244 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+](C1CCC3(CCCC3)CC1)CC2 ZINC001172729996 808423099 /nfs/dbraw/zinc/42/30/99/808423099.db2.gz QXCWXFFVUBLASI-UHFFFAOYSA-N 2 1 273.424 3.244 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+](C1CCC3(CCCC3)CC1)CC2 ZINC001172729996 808423102 /nfs/dbraw/zinc/42/31/02/808423102.db2.gz QXCWXFFVUBLASI-UHFFFAOYSA-N 2 1 273.424 3.244 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C(C)C)C(C)(C)CN)CC1 ZINC001173108472 808511806 /nfs/dbraw/zinc/51/18/06/808511806.db2.gz LUTONCJEQLOCMA-UHFFFAOYSA-N 2 1 283.504 3.087 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccccn2)CC1 ZINC001173108603 808512102 /nfs/dbraw/zinc/51/21/02/808512102.db2.gz OZISKYXLRNJKTM-UHFFFAOYSA-N 2 1 275.440 3.166 20 0 CGADMP CCCC[NH+]1CCN(C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173112112 808513477 /nfs/dbraw/zinc/51/34/77/808513477.db2.gz QMXORHBAGSVYCZ-UHFFFAOYSA-N 2 1 295.515 3.057 20 0 CGADMP CCN1CC[N@@H+](C2CCC([NH+](CC)CC)CC2)C(C)(C)C1 ZINC001173117128 808515840 /nfs/dbraw/zinc/51/58/40/808515840.db2.gz KFSLBVPCYYTYJI-UHFFFAOYSA-N 2 1 295.515 3.056 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCn3c(C)ncc3C2)cc1 ZINC001173239648 808547663 /nfs/dbraw/zinc/54/76/63/808547663.db2.gz JQAMGYSYSBEADA-CQSZACIVSA-N 2 1 283.419 3.201 20 0 CGADMP CCc1ccc(C[C@@H](C)N2CCn3c(C)ncc3C2)cc1 ZINC001173239648 808547667 /nfs/dbraw/zinc/54/76/67/808547667.db2.gz JQAMGYSYSBEADA-CQSZACIVSA-N 2 1 283.419 3.201 20 0 CGADMP CCSC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001173291302 808591112 /nfs/dbraw/zinc/59/11/12/808591112.db2.gz KZKGXDRYEXZVDL-GDBMZVCRSA-N 2 1 280.481 3.411 20 0 CGADMP CCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275103937 808908779 /nfs/dbraw/zinc/90/87/79/808908779.db2.gz VAVVGTIXOZKCRJ-UHFFFAOYSA-N 2 1 275.440 3.103 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(Cl)c3)C[C@H]2CC1 ZINC001275290383 808927058 /nfs/dbraw/zinc/92/70/58/808927058.db2.gz IWYPDKVNEYSPIH-OKILXGFUSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)C[C@H]2CC1 ZINC001275290383 808927066 /nfs/dbraw/zinc/92/70/66/808927066.db2.gz IWYPDKVNEYSPIH-OKILXGFUSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)C[C@H]2CC1 ZINC001275290383 808927072 /nfs/dbraw/zinc/92/70/72/808927072.db2.gz IWYPDKVNEYSPIH-OKILXGFUSA-N 2 1 296.817 3.253 20 0 CGADMP CSc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)s1 ZINC001275731391 808961254 /nfs/dbraw/zinc/96/12/54/808961254.db2.gz FDEPYGWFJHGXMQ-BETUJISGSA-N 2 1 296.505 3.244 20 0 CGADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)s1 ZINC001275731391 808961258 /nfs/dbraw/zinc/96/12/58/808961258.db2.gz FDEPYGWFJHGXMQ-BETUJISGSA-N 2 1 296.505 3.244 20 0 CGADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)s1 ZINC001275731391 808961261 /nfs/dbraw/zinc/96/12/61/808961261.db2.gz FDEPYGWFJHGXMQ-BETUJISGSA-N 2 1 296.505 3.244 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC001275925752 808976925 /nfs/dbraw/zinc/97/69/25/808976925.db2.gz PYBYSQHCFHQRSF-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC001275925752 808976928 /nfs/dbraw/zinc/97/69/28/808976928.db2.gz PYBYSQHCFHQRSF-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001275960651 808979670 /nfs/dbraw/zinc/97/96/70/808979670.db2.gz ZLJIBMSRPYACGJ-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP Cc1ccc2[nH]cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC001276055276 808986295 /nfs/dbraw/zinc/98/62/95/808986295.db2.gz QROYAEPJUFHSJX-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c2c1 ZINC001276055276 808986301 /nfs/dbraw/zinc/98/63/01/808986301.db2.gz QROYAEPJUFHSJX-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c2c1 ZINC001276055276 808986308 /nfs/dbraw/zinc/98/63/08/808986308.db2.gz QROYAEPJUFHSJX-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cnc(Cl)s3)CC2)C1 ZINC001276049596 808986765 /nfs/dbraw/zinc/98/67/65/808986765.db2.gz DXLKCYORUZZQAG-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cnc(Cl)s3)CC2)C1 ZINC001276049596 808986768 /nfs/dbraw/zinc/98/67/68/808986768.db2.gz DXLKCYORUZZQAG-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP CCc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)o1 ZINC001276147883 808990213 /nfs/dbraw/zinc/99/02/13/808990213.db2.gz AESJDDHVYFFIDY-UHFFFAOYSA-N 2 1 276.424 3.150 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3sccc3Cl)C[C@H]2CC1 ZINC001276236634 808996057 /nfs/dbraw/zinc/99/60/57/808996057.db2.gz PKMOOKRCNPOEOS-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]2CC1 ZINC001276236634 808996058 /nfs/dbraw/zinc/99/60/58/808996058.db2.gz PKMOOKRCNPOEOS-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3sccc3Cl)C[C@H]2CC1 ZINC001276236634 808996061 /nfs/dbraw/zinc/99/60/61/808996061.db2.gz PKMOOKRCNPOEOS-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)o3)(C1)CCC2 ZINC001276462506 809010555 /nfs/dbraw/zinc/01/05/55/809010555.db2.gz RGAATFFFGDQWLH-UONOGXRCSA-N 2 1 268.788 3.087 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3cccc(Cl)c3)C[C@H]2CC1 ZINC001276703731 809024503 /nfs/dbraw/zinc/02/45/03/809024503.db2.gz QRYMXBCTHNZJJG-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3cccc(Cl)c3)C[C@H]2CC1 ZINC001276703731 809024510 /nfs/dbraw/zinc/02/45/10/809024510.db2.gz QRYMXBCTHNZJJG-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCc3cccc(Cl)c3)C[C@H]2CC1 ZINC001276703731 809024518 /nfs/dbraw/zinc/02/45/18/809024518.db2.gz QRYMXBCTHNZJJG-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2c1cccc2F ZINC001276769933 809028452 /nfs/dbraw/zinc/02/84/52/809028452.db2.gz CJYMNRPECCWBNY-AGUYFDCRSA-N 2 1 287.382 3.022 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2F ZINC001276769933 809028457 /nfs/dbraw/zinc/02/84/57/809028457.db2.gz CJYMNRPECCWBNY-AGUYFDCRSA-N 2 1 287.382 3.022 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2cccc(F)c12 ZINC001276753287 809029273 /nfs/dbraw/zinc/02/92/73/809029273.db2.gz CAIHNJZUJHHOBC-AGUYFDCRSA-N 2 1 287.382 3.022 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cccc(F)c12 ZINC001276753287 809029280 /nfs/dbraw/zinc/02/92/80/809029280.db2.gz CAIHNJZUJHHOBC-AGUYFDCRSA-N 2 1 287.382 3.022 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4cccnc43)C[C@H]2CC1 ZINC001276782120 809030784 /nfs/dbraw/zinc/03/07/84/809030784.db2.gz CVNIXVGRRDIFRZ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2CC1 ZINC001276782120 809030790 /nfs/dbraw/zinc/03/07/90/809030790.db2.gz CVNIXVGRRDIFRZ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4cccnc43)C[C@H]2CC1 ZINC001276782120 809030795 /nfs/dbraw/zinc/03/07/95/809030795.db2.gz CVNIXVGRRDIFRZ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)c(C)n3)(C1)CCC2 ZINC001277395428 809072452 /nfs/dbraw/zinc/07/24/52/809072452.db2.gz BVXMEBIPTGQLHV-JKSUJKDBSA-N 2 1 293.842 3.198 20 0 CGADMP c1cc(N2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cc[nH+]1 ZINC001277693743 809088916 /nfs/dbraw/zinc/08/89/16/809088916.db2.gz KQVPGQUUSNRVKP-IYBDPMFKSA-N 2 1 285.435 3.172 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001177209692 809787577 /nfs/dbraw/zinc/78/75/77/809787577.db2.gz QYAIIKNDNCTPGU-OAGGEKHMSA-N 2 1 284.513 3.371 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2C)CC1 ZINC001177972712 809836604 /nfs/dbraw/zinc/83/66/04/809836604.db2.gz VGNRBXCYFUFVTF-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001179815167 809947367 /nfs/dbraw/zinc/94/73/67/809947367.db2.gz DZNYSYABVBVZKI-USXIJHARSA-N 2 1 290.476 3.228 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC001179830352 809948954 /nfs/dbraw/zinc/94/89/54/809948954.db2.gz OZNRPUHMGBRKIV-ZDUSSCGKSA-N 2 1 275.396 3.038 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC001180030461 809968786 /nfs/dbraw/zinc/96/87/86/809968786.db2.gz MHIFMUSXRVHZME-KZNAEPCWSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC001180030461 809968789 /nfs/dbraw/zinc/96/87/89/809968789.db2.gz MHIFMUSXRVHZME-KZNAEPCWSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC001180030461 809968791 /nfs/dbraw/zinc/96/87/91/809968791.db2.gz MHIFMUSXRVHZME-KZNAEPCWSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC001181592406 810060634 /nfs/dbraw/zinc/06/06/34/810060634.db2.gz ZHBWWTQYXYYPGQ-AEFFLSMTSA-N 2 1 274.452 3.390 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC001181592406 810060638 /nfs/dbraw/zinc/06/06/38/810060638.db2.gz ZHBWWTQYXYYPGQ-AEFFLSMTSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001182308031 810103138 /nfs/dbraw/zinc/10/31/38/810103138.db2.gz DVTJSSBIQQCTAT-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001182308031 810103141 /nfs/dbraw/zinc/10/31/41/810103141.db2.gz DVTJSSBIQQCTAT-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC2(CSC2)CC1 ZINC001182308735 810104299 /nfs/dbraw/zinc/10/42/99/810104299.db2.gz KBOFPWIKNLDZOP-UHFFFAOYSA-N 2 1 282.497 3.126 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC2(CSC2)CC1 ZINC001182308735 810104303 /nfs/dbraw/zinc/10/43/03/810104303.db2.gz KBOFPWIKNLDZOP-UHFFFAOYSA-N 2 1 282.497 3.126 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695622 810157026 /nfs/dbraw/zinc/15/70/26/810157026.db2.gz GPBVTNSOWQHMBO-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695622 810157030 /nfs/dbraw/zinc/15/70/30/810157030.db2.gz GPBVTNSOWQHMBO-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695622 810157032 /nfs/dbraw/zinc/15/70/32/810157032.db2.gz GPBVTNSOWQHMBO-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695622 810157037 /nfs/dbraw/zinc/15/70/37/810157037.db2.gz GPBVTNSOWQHMBO-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695618 810157323 /nfs/dbraw/zinc/15/73/23/810157323.db2.gz GPBVTNSOWQHMBO-AITUJVMLSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695618 810157326 /nfs/dbraw/zinc/15/73/26/810157326.db2.gz GPBVTNSOWQHMBO-AITUJVMLSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695618 810157328 /nfs/dbraw/zinc/15/73/28/810157328.db2.gz GPBVTNSOWQHMBO-AITUJVMLSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695618 810157331 /nfs/dbraw/zinc/15/73/31/810157331.db2.gz GPBVTNSOWQHMBO-AITUJVMLSA-N 2 1 284.447 3.096 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC3CCC2CC3)CC1 ZINC001191407142 810712024 /nfs/dbraw/zinc/71/20/24/810712024.db2.gz FDCSMVOUQYOAOM-GPANFISMSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC3CCC2CC3)CC1 ZINC001191407142 810712030 /nfs/dbraw/zinc/71/20/30/810712030.db2.gz FDCSMVOUQYOAOM-GPANFISMSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C)c1 ZINC001197497371 811426539 /nfs/dbraw/zinc/42/65/39/811426539.db2.gz RGTRCPQETFBREG-ZWKOTPCHSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)c1cccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC001197497371 811426543 /nfs/dbraw/zinc/42/65/43/811426543.db2.gz RGTRCPQETFBREG-ZWKOTPCHSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)c1cccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC001197497371 811426550 /nfs/dbraw/zinc/42/65/50/811426550.db2.gz RGTRCPQETFBREG-ZWKOTPCHSA-N 2 1 272.436 3.479 20 0 CGADMP C1CC1[NH+]1CCC([NH2+]C2CCC3(CCC3)CC2)CC1 ZINC001199079018 811557477 /nfs/dbraw/zinc/55/74/77/811557477.db2.gz ZILBFWXFKCWHPQ-UHFFFAOYSA-N 2 1 262.441 3.316 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201495723 811864548 /nfs/dbraw/zinc/86/45/48/811864548.db2.gz FLWJHMFWDIBWNT-GVDBMIGSSA-N 2 1 264.457 3.252 20 0 CGADMP C[N@@H+](CC1CCOCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001202609918 812135060 /nfs/dbraw/zinc/13/50/60/812135060.db2.gz SNZTUGFWSHCIDM-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3C)C[C@@H]2C1 ZINC001203740312 812448419 /nfs/dbraw/zinc/44/84/19/812448419.db2.gz UCDITHPRNWIFCG-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@@H]2C1 ZINC001203740312 812448423 /nfs/dbraw/zinc/44/84/23/812448423.db2.gz UCDITHPRNWIFCG-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@@H]2C1 ZINC001203740312 812448426 /nfs/dbraw/zinc/44/84/26/812448426.db2.gz UCDITHPRNWIFCG-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC001203988365 812510308 /nfs/dbraw/zinc/51/03/08/812510308.db2.gz HPNUVSIHZFZIPY-IEBWSBKVSA-N 2 1 280.415 3.223 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc(C(C)C)s1 ZINC001204111153 812551965 /nfs/dbraw/zinc/55/19/65/812551965.db2.gz QIRXZYJDZVYNBE-CYBMUJFWSA-N 2 1 283.485 3.477 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC001204506442 812658847 /nfs/dbraw/zinc/65/88/47/812658847.db2.gz CLCSFPMGYFDPGM-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC001204506442 812658854 /nfs/dbraw/zinc/65/88/54/812658854.db2.gz CLCSFPMGYFDPGM-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC001204506442 812658861 /nfs/dbraw/zinc/65/88/61/812658861.db2.gz CLCSFPMGYFDPGM-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC001204506442 812658865 /nfs/dbraw/zinc/65/88/65/812658865.db2.gz CLCSFPMGYFDPGM-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735140 812720177 /nfs/dbraw/zinc/72/01/77/812720177.db2.gz LFYKFSKYOPORML-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2cccccc1-2 ZINC001204931794 812780532 /nfs/dbraw/zinc/78/05/32/812780532.db2.gz FFADSNHXXYKNHZ-INIZCTEOSA-N 2 1 254.377 3.105 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001204931794 812780538 /nfs/dbraw/zinc/78/05/38/812780538.db2.gz FFADSNHXXYKNHZ-INIZCTEOSA-N 2 1 254.377 3.105 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001204938572 812786636 /nfs/dbraw/zinc/78/66/36/812786636.db2.gz MSRZXBQHBSWWIZ-QGZVFWFLSA-N 2 1 254.377 3.153 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001204938572 812786639 /nfs/dbraw/zinc/78/66/39/812786639.db2.gz MSRZXBQHBSWWIZ-QGZVFWFLSA-N 2 1 254.377 3.153 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204938492 812786730 /nfs/dbraw/zinc/78/67/30/812786730.db2.gz MBVTYFHZNWFSTG-QGZVFWFLSA-N 2 1 298.471 3.093 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2OC(C)(C)C)C1 ZINC001205018038 812827745 /nfs/dbraw/zinc/82/77/45/812827745.db2.gz QNOBHYQFIUAHGN-OAHLLOKOSA-N 2 1 290.451 3.295 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2OC(C)(C)C)C1 ZINC001205018038 812827755 /nfs/dbraw/zinc/82/77/55/812827755.db2.gz QNOBHYQFIUAHGN-OAHLLOKOSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001205058614 812841112 /nfs/dbraw/zinc/84/11/12/812841112.db2.gz OZLALYWXKDFNCD-YOENINGUSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001205058614 812841122 /nfs/dbraw/zinc/84/11/22/812841122.db2.gz OZLALYWXKDFNCD-YOENINGUSA-N 2 1 278.827 3.255 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205075291 812850609 /nfs/dbraw/zinc/85/06/09/812850609.db2.gz HADHJAYUOSFZEM-FZMZJTMJSA-N 2 1 286.341 3.325 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205075291 812850620 /nfs/dbraw/zinc/85/06/20/812850620.db2.gz HADHJAYUOSFZEM-FZMZJTMJSA-N 2 1 286.341 3.325 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001205116918 812874660 /nfs/dbraw/zinc/87/46/60/812874660.db2.gz JCAZZOOOQJKVCU-CQSZACIVSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc(-c3cccs3)n2)CC1 ZINC001205124111 812875858 /nfs/dbraw/zinc/87/58/58/812875858.db2.gz KHLOJXFTXFGTIZ-ZDUSSCGKSA-N 2 1 287.432 3.123 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3cccs3)n2)CC1 ZINC001205124111 812875867 /nfs/dbraw/zinc/87/58/67/812875867.db2.gz KHLOJXFTXFGTIZ-ZDUSSCGKSA-N 2 1 287.432 3.123 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3sccc32)CC1 ZINC001205123961 812876675 /nfs/dbraw/zinc/87/66/75/812876675.db2.gz HUMITAYJXPJOCH-CYBMUJFWSA-N 2 1 260.406 3.215 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205130898 812880067 /nfs/dbraw/zinc/88/00/67/812880067.db2.gz OGTYDFRBUWPFJR-HRCADAONSA-N 2 1 284.488 3.135 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)c1Cl ZINC001205130885 812880908 /nfs/dbraw/zinc/88/09/08/812880908.db2.gz NTCOMIJBKFACSM-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC001205140264 812884777 /nfs/dbraw/zinc/88/47/77/812884777.db2.gz FCDNHYRHOUJJND-DZGCQCFKSA-N 2 1 286.444 3.442 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)C[C@H]1C[NH3+] ZINC001205145693 812886161 /nfs/dbraw/zinc/88/61/61/812886161.db2.gz AXCKODZPEVJLPB-XJKSGUPXSA-N 2 1 286.444 3.442 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC001205263710 812920464 /nfs/dbraw/zinc/92/04/64/812920464.db2.gz BYGCTNIROPEEBD-AWEZNQCLSA-N 2 1 252.789 3.043 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC001205263711 812920479 /nfs/dbraw/zinc/92/04/79/812920479.db2.gz BYGCTNIROPEEBD-CQSZACIVSA-N 2 1 252.789 3.043 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2coc3ccc(F)cc23)CC1 ZINC001205274536 812926172 /nfs/dbraw/zinc/92/61/72/812926172.db2.gz XLIZJSDXTPCBSK-MRXNPFEDSA-N 2 1 276.355 3.275 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3ccoc32)CC1 ZINC001205289627 812932887 /nfs/dbraw/zinc/93/28/87/812932887.db2.gz ZZULLWXPIGAZMT-INIZCTEOSA-N 2 1 276.355 3.275 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205289076 812933795 /nfs/dbraw/zinc/93/37/95/812933795.db2.gz SHSQCGYARMJEHZ-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC001205295741 812936431 /nfs/dbraw/zinc/93/64/31/812936431.db2.gz BJVPNCCBUSAVFM-DZGCQCFKSA-N 2 1 280.843 3.189 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)c1C ZINC001205305009 812944030 /nfs/dbraw/zinc/94/40/30/812944030.db2.gz QMWBQQJKSDFAQB-BLLLJJGKSA-N 2 1 290.451 3.037 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205314376 812947662 /nfs/dbraw/zinc/94/76/62/812947662.db2.gz BFNVUMRQYWXWGR-SWLSCSKDSA-N 2 1 280.843 3.319 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205314376 812947664 /nfs/dbraw/zinc/94/76/64/812947664.db2.gz BFNVUMRQYWXWGR-SWLSCSKDSA-N 2 1 280.843 3.319 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(F)c1 ZINC001205319071 812951988 /nfs/dbraw/zinc/95/19/88/812951988.db2.gz YFUJCJMLRLYRSP-DZGCQCFKSA-N 2 1 294.414 3.030 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(F)c1 ZINC001205319071 812951994 /nfs/dbraw/zinc/95/19/94/812951994.db2.gz YFUJCJMLRLYRSP-DZGCQCFKSA-N 2 1 294.414 3.030 20 0 CGADMP C[C@H]1CCC[C@H](C[N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC001205535034 812997351 /nfs/dbraw/zinc/99/73/51/812997351.db2.gz BIMMODSDGDYNRS-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC001205546464 812999694 /nfs/dbraw/zinc/99/96/94/812999694.db2.gz VVVLJYHXJSNVRI-SFHVURJKSA-N 2 1 286.394 3.493 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@](F)(C[NH3+])CC2)o1 ZINC001205545650 812999781 /nfs/dbraw/zinc/99/97/81/812999781.db2.gz LDBRTWBFINAZFI-XJKSGUPXSA-N 2 1 282.403 3.235 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC001205559909 813003516 /nfs/dbraw/zinc/00/35/16/813003516.db2.gz XACCSNYYNZKMPX-KRWDZBQOSA-N 2 1 276.399 3.217 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC001205578647 813011381 /nfs/dbraw/zinc/01/13/81/813011381.db2.gz IBUUMSCKNLYPKU-MRXNPFEDSA-N 2 1 276.355 3.086 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205604442 813020948 /nfs/dbraw/zinc/02/09/48/813020948.db2.gz VRAASZHUKSFNRK-TZMCWYRMSA-N 2 1 266.816 3.147 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1C ZINC001205605024 813021051 /nfs/dbraw/zinc/02/10/51/813021051.db2.gz YOFUXULYKAVFKN-ZBFHGGJFSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205617379 813027241 /nfs/dbraw/zinc/02/72/41/813027241.db2.gz JHWJHVAOTUNZEZ-IUODEOHRSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)CC[C@H]1C[NH3+] ZINC001205617826 813029530 /nfs/dbraw/zinc/02/95/30/813029530.db2.gz OGRDFJKYJOFMLR-PBHICJAKSA-N 2 1 283.419 3.042 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)s1 ZINC001205628801 813033992 /nfs/dbraw/zinc/03/39/92/813033992.db2.gz WURZBBIQFXDAKQ-QWHCGFSZSA-N 2 1 266.454 3.117 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cnc1C1CC1 ZINC001205651940 813041906 /nfs/dbraw/zinc/04/19/06/813041906.db2.gz MDTSSJTVKVSQIS-SUMWQHHRSA-N 2 1 287.451 3.074 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1F ZINC001205651770 813042036 /nfs/dbraw/zinc/04/20/36/813042036.db2.gz JTBQCQQIJVNFQK-HIFRSBDPSA-N 2 1 294.414 3.031 20 0 CGADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205652316 813043187 /nfs/dbraw/zinc/04/31/87/813043187.db2.gz PGAUPZNFHINOMS-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001205661618 813046590 /nfs/dbraw/zinc/04/65/90/813046590.db2.gz FAJOFDYFVSLSQG-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC001205716412 813058880 /nfs/dbraw/zinc/05/88/80/813058880.db2.gz IBVDGZTXIMCFNT-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC001205716412 813058888 /nfs/dbraw/zinc/05/88/88/813058888.db2.gz IBVDGZTXIMCFNT-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205780964 813075372 /nfs/dbraw/zinc/07/53/72/813075372.db2.gz ULMFHAGUPXOJPB-AWEZNQCLSA-N 2 1 282.378 3.226 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205780964 813075382 /nfs/dbraw/zinc/07/53/82/813075382.db2.gz ULMFHAGUPXOJPB-AWEZNQCLSA-N 2 1 282.378 3.226 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205816717 813093790 /nfs/dbraw/zinc/09/37/90/813093790.db2.gz NYBYMRMBYKJQPH-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205816717 813093798 /nfs/dbraw/zinc/09/37/98/813093798.db2.gz NYBYMRMBYKJQPH-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3C[C@H](C)CC[C@@H]3CN)c21 ZINC001205818210 813095459 /nfs/dbraw/zinc/09/54/59/813095459.db2.gz SOFLBCNWXFYSEB-IUODEOHRSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c21 ZINC001205818210 813095472 /nfs/dbraw/zinc/09/54/72/813095472.db2.gz SOFLBCNWXFYSEB-IUODEOHRSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c21 ZINC001205818210 813095481 /nfs/dbraw/zinc/09/54/81/813095481.db2.gz SOFLBCNWXFYSEB-IUODEOHRSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001205863205 813112466 /nfs/dbraw/zinc/11/24/66/813112466.db2.gz JIBJLVKADOHOOB-CUBALJKWSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001205863205 813112470 /nfs/dbraw/zinc/11/24/70/813112470.db2.gz JIBJLVKADOHOOB-CUBALJKWSA-N 2 1 278.827 3.113 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(C)c1C ZINC001205903635 813125898 /nfs/dbraw/zinc/12/58/98/813125898.db2.gz QKJNMMPPULFQKV-CVEARBPZSA-N 2 1 290.451 3.180 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(C)c1C ZINC001205903638 813126362 /nfs/dbraw/zinc/12/63/62/813126362.db2.gz QKJNMMPPULFQKV-JKSUJKDBSA-N 2 1 290.451 3.180 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205903441 813126664 /nfs/dbraw/zinc/12/66/64/813126664.db2.gz OYRWFENUIQZCQM-OCCSQVGLSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205903441 813126667 /nfs/dbraw/zinc/12/66/67/813126667.db2.gz OYRWFENUIQZCQM-OCCSQVGLSA-N 2 1 296.842 3.298 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205904897 813128422 /nfs/dbraw/zinc/12/84/22/813128422.db2.gz YBVWWFFIKCIJKM-GDBMZVCRSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)ccc2n1 ZINC001205912931 813129634 /nfs/dbraw/zinc/12/96/34/813129634.db2.gz DYAZYWCHXWMMJZ-PBHICJAKSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1coc2ccc(F)cc12 ZINC001205915227 813131224 /nfs/dbraw/zinc/13/12/24/813131224.db2.gz OWVFLZSDCJBYQV-RYUDHWBXSA-N 2 1 276.355 3.131 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1OC(C)C ZINC001205915807 813131516 /nfs/dbraw/zinc/13/15/16/813131516.db2.gz QPYDGPKZWOJQTG-DOTOQJQBSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205916904 813132473 /nfs/dbraw/zinc/13/24/73/813132473.db2.gz WHWVQYPSODLDSR-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205916904 813132477 /nfs/dbraw/zinc/13/24/77/813132477.db2.gz WHWVQYPSODLDSR-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001205922784 813134058 /nfs/dbraw/zinc/13/40/58/813134058.db2.gz ALZARNKHVGJLQJ-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001205922784 813134063 /nfs/dbraw/zinc/13/40/63/813134063.db2.gz ALZARNKHVGJLQJ-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)cccc2n1 ZINC001205925649 813137201 /nfs/dbraw/zinc/13/72/01/813137201.db2.gz XUIIMYWSVFKFKW-CABCVRRESA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC001205980773 813152045 /nfs/dbraw/zinc/15/20/45/813152045.db2.gz ACZBNNBUCLOANB-IJEWVQPXSA-N 2 1 278.440 3.388 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1C ZINC001205984622 813153262 /nfs/dbraw/zinc/15/32/62/813153262.db2.gz SOCZEGQWWOKAJT-XJKSGUPXSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205993434 813155433 /nfs/dbraw/zinc/15/54/33/813155433.db2.gz HPTWWLAIIXCNIH-GXTWGEPZSA-N 2 1 298.377 3.095 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206004952 813162108 /nfs/dbraw/zinc/16/21/08/813162108.db2.gz VUJADZJBUNAVLQ-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206013555 813164688 /nfs/dbraw/zinc/16/46/88/813164688.db2.gz SHMFYIYELREOTF-RISCZKNCSA-N 2 1 282.378 3.080 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206012547 813165451 /nfs/dbraw/zinc/16/54/51/813165451.db2.gz MDJMGKRZTIMRAD-WMLDXEAASA-N 2 1 260.425 3.056 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206021653 813169428 /nfs/dbraw/zinc/16/94/28/813169428.db2.gz APNGWXRHKUFJPM-JSGCOSHPSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)CCC[C@H]1C[NH3+] ZINC001206024154 813169444 /nfs/dbraw/zinc/16/94/44/813169444.db2.gz IIDWLHNDYKANOA-ZBFHGGJFSA-N 2 1 299.418 3.148 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206026914 813170268 /nfs/dbraw/zinc/17/02/68/813170268.db2.gz VAVZFEQBOOKZDT-DZGCQCFKSA-N 2 1 280.843 3.455 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206036835 813176090 /nfs/dbraw/zinc/17/60/90/813176090.db2.gz RGFDXLMQDFHHAT-HZPDHXFCSA-N 2 1 290.451 3.201 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206036542 813176250 /nfs/dbraw/zinc/17/62/50/813176250.db2.gz KTAIVPMMHBPWGZ-CVEARBPZSA-N 2 1 290.451 3.119 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC001206083950 813195192 /nfs/dbraw/zinc/19/51/92/813195192.db2.gz AWDPIPHFFSTZJV-PMPSAXMXSA-N 2 1 284.488 3.289 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC001206083950 813195197 /nfs/dbraw/zinc/19/51/97/813195197.db2.gz AWDPIPHFFSTZJV-PMPSAXMXSA-N 2 1 284.488 3.289 20 0 CGADMP COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1C(C)C ZINC001206172543 813224863 /nfs/dbraw/zinc/22/48/63/813224863.db2.gz APADWKBOLRCBJZ-CVEARBPZSA-N 2 1 294.414 3.080 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206184607 813230250 /nfs/dbraw/zinc/23/02/50/813230250.db2.gz JBLYVKKWLKHMGM-HOTGVXAUSA-N 2 1 294.414 3.125 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1OC(C)C ZINC001206183722 813231073 /nfs/dbraw/zinc/23/10/73/813231073.db2.gz HADFOTBWPFDDPS-HOTGVXAUSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1OC(C)C ZINC001206183722 813231078 /nfs/dbraw/zinc/23/10/78/813231078.db2.gz HADFOTBWPFDDPS-HOTGVXAUSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1OC(C)C ZINC001206197770 813235933 /nfs/dbraw/zinc/23/59/33/813235933.db2.gz JFXXHNOWVLSUPA-HZPDHXFCSA-N 2 1 294.414 3.043 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2F)CC1 ZINC001206296393 813276565 /nfs/dbraw/zinc/27/65/65/813276565.db2.gz SFCOQOWHCCRJPT-QGZVFWFLSA-N 2 1 278.415 3.209 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206297675 813276704 /nfs/dbraw/zinc/27/67/04/813276704.db2.gz ZUGYKPSVYYPDNN-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001206303719 813279889 /nfs/dbraw/zinc/27/98/89/813279889.db2.gz GFBYEUYYGXPWCG-SFHVURJKSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3cccnc32)CC1 ZINC001206304173 813280084 /nfs/dbraw/zinc/28/00/84/813280084.db2.gz GRBWUHGGAMENHB-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001206305213 813282177 /nfs/dbraw/zinc/28/21/77/813282177.db2.gz WEHPVOXASVWTCR-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP CC[N@H+](Cc1occc1C)CC1CC[NH+](CC)CC1 ZINC001206319601 813287122 /nfs/dbraw/zinc/28/71/22/813287122.db2.gz CQIDKKJDCUCFQJ-UHFFFAOYSA-N 2 1 264.413 3.142 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cs1 ZINC001206336309 813294213 /nfs/dbraw/zinc/29/42/13/813294213.db2.gz LJPFEALAALZEHL-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001206361802 813302866 /nfs/dbraw/zinc/30/28/66/813302866.db2.gz LAVAWYYELVUJCU-GOSISDBHSA-N 2 1 290.426 3.218 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001206361802 813302870 /nfs/dbraw/zinc/30/28/70/813302870.db2.gz LAVAWYYELVUJCU-GOSISDBHSA-N 2 1 290.426 3.218 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc3occc32)C1 ZINC001206370675 813305924 /nfs/dbraw/zinc/30/59/24/813305924.db2.gz OSLLHTROGHROJX-MRXNPFEDSA-N 2 1 276.355 3.086 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc3occc32)C1 ZINC001206370675 813305930 /nfs/dbraw/zinc/30/59/30/813305930.db2.gz OSLLHTROGHROJX-MRXNPFEDSA-N 2 1 276.355 3.086 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556703 813352652 /nfs/dbraw/zinc/35/26/52/813352652.db2.gz VSMFOULTOPTGEY-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP Cc1c(F)cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1F ZINC001206565451 813354961 /nfs/dbraw/zinc/35/49/61/813354961.db2.gz TUQJZJTZEVRKHQ-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1F ZINC001206565451 813354968 /nfs/dbraw/zinc/35/49/68/813354968.db2.gz TUQJZJTZEVRKHQ-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2c1CCN2)[C@@H]1CCC[NH2+]CC1 ZINC001206599153 813370307 /nfs/dbraw/zinc/37/03/07/813370307.db2.gz PBZGKKPIPTWQOQ-MRXNPFEDSA-N 2 1 287.451 3.007 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001206615990 813375759 /nfs/dbraw/zinc/37/57/59/813375759.db2.gz LGRZLVXPAWQJPE-LBPRGKRZSA-N 2 1 291.826 3.382 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2coc3ccc(F)cc23)C1 ZINC001206623263 813376787 /nfs/dbraw/zinc/37/67/87/813376787.db2.gz KPKVTEJGIQXXEX-LBPRGKRZSA-N 2 1 276.355 3.133 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001206624843 813379085 /nfs/dbraw/zinc/37/90/85/813379085.db2.gz YWYMICDYDALCLO-MRXNPFEDSA-N 2 1 295.430 3.309 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206646936 813384893 /nfs/dbraw/zinc/38/48/93/813384893.db2.gz FHWJFTVARMSYLM-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206646936 813384899 /nfs/dbraw/zinc/38/48/99/813384899.db2.gz FHWJFTVARMSYLM-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP CC1(C[NH3+])C[NH+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001206711690 813405310 /nfs/dbraw/zinc/40/53/10/813405310.db2.gz MZXVOIMFDDKROG-UHFFFAOYSA-N 2 1 287.234 3.207 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC1 ZINC001206760711 813426089 /nfs/dbraw/zinc/42/60/89/813426089.db2.gz KLPCVBWMXUACEU-FZKCQIBNSA-N 2 1 250.430 3.038 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC001206771037 813432267 /nfs/dbraw/zinc/43/22/67/813432267.db2.gz VTARVSHIAUQQDK-STQMWFEESA-N 2 1 274.433 3.461 20 0 CGADMP COc1ccc2oc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cc2c1 ZINC001206770951 813432472 /nfs/dbraw/zinc/43/24/72/813432472.db2.gz VFXKFYHZJBGJFZ-CHWSQXEVSA-N 2 1 288.391 3.001 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206806159 813441245 /nfs/dbraw/zinc/44/12/45/813441245.db2.gz FVORXQPNLPCAIT-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206806159 813441249 /nfs/dbraw/zinc/44/12/49/813441249.db2.gz FVORXQPNLPCAIT-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207178556 813505878 /nfs/dbraw/zinc/50/58/78/813505878.db2.gz WCFRZNBRPASKEC-ZBFHGGJFSA-N 2 1 280.843 3.327 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207178553 813506243 /nfs/dbraw/zinc/50/62/43/813506243.db2.gz WCFRZNBRPASKEC-GDBMZVCRSA-N 2 1 280.843 3.327 20 0 CGADMP CC1=CC[C@H](CC[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC001207269911 813527940 /nfs/dbraw/zinc/52/79/40/813527940.db2.gz WMEGMLFMSQSSFI-OAHLLOKOSA-N 2 1 252.446 3.252 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207283623 813534048 /nfs/dbraw/zinc/53/40/48/813534048.db2.gz AXBYQUPCMCSFEC-QGZVFWFLSA-N 2 1 290.451 3.420 20 0 CGADMP C[N@@H+](CCCc1ccccc1)CCC1CC[NH+](C)CC1 ZINC001207483625 813573353 /nfs/dbraw/zinc/57/33/53/813573353.db2.gz GUEAASHSVMNIJE-UHFFFAOYSA-N 2 1 274.452 3.283 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CCCc2ccc(OC)cc2)CC1 ZINC001207584970 813602596 /nfs/dbraw/zinc/60/25/96/813602596.db2.gz OAWPNOSNAXXIAO-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CCCc2ccc(OC)cc2)CC1 ZINC001207584970 813602602 /nfs/dbraw/zinc/60/26/02/813602602.db2.gz OAWPNOSNAXXIAO-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001207837387 813658711 /nfs/dbraw/zinc/65/87/11/813658711.db2.gz PLSBYZWGOMDHNU-MWQQHZPXSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC001208170635 813723741 /nfs/dbraw/zinc/72/37/41/813723741.db2.gz YAEUHVWCHMWWCE-HNNXBMFYSA-N 2 1 290.451 3.499 20 0 CGADMP C[NH+](C)CC1(C[N@@H+]2CCOC3(CCCCC3)C2)CCCC1 ZINC001208187944 813737750 /nfs/dbraw/zinc/73/77/50/813737750.db2.gz QKZDCBARAGJUGH-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCOC3(CCCCC3)C2)CCCC1 ZINC001208187944 813737753 /nfs/dbraw/zinc/73/77/53/813737753.db2.gz QKZDCBARAGJUGH-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001208592233 813768972 /nfs/dbraw/zinc/76/89/72/813768972.db2.gz FMWCFDXFKCOXQZ-UHFFFAOYSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001208597974 813771005 /nfs/dbraw/zinc/77/10/05/813771005.db2.gz OMOFOUWVWNQWEN-QGZVFWFLSA-N 2 1 258.409 3.165 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208603393 813771810 /nfs/dbraw/zinc/77/18/10/813771810.db2.gz COJBTMWMMSCRDM-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208603393 813771816 /nfs/dbraw/zinc/77/18/16/813771816.db2.gz COJBTMWMMSCRDM-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208603393 813771819 /nfs/dbraw/zinc/77/18/19/813771819.db2.gz COJBTMWMMSCRDM-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603393 813771827 /nfs/dbraw/zinc/77/18/27/813771827.db2.gz COJBTMWMMSCRDM-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001208612677 813773688 /nfs/dbraw/zinc/77/36/88/813773688.db2.gz NAHJQOAORAAEQN-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001208612677 813773696 /nfs/dbraw/zinc/77/36/96/813773696.db2.gz NAHJQOAORAAEQN-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001208612677 813773704 /nfs/dbraw/zinc/77/37/04/813773704.db2.gz NAHJQOAORAAEQN-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001208608390 813775707 /nfs/dbraw/zinc/77/57/07/813775707.db2.gz ILDPWTKYDUOSIZ-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208608390 813775709 /nfs/dbraw/zinc/77/57/09/813775709.db2.gz ILDPWTKYDUOSIZ-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208608390 813775712 /nfs/dbraw/zinc/77/57/12/813775712.db2.gz ILDPWTKYDUOSIZ-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP COc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001208618175 813776432 /nfs/dbraw/zinc/77/64/32/813776432.db2.gz SBJTUPSYLYXMHC-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001208618175 813776437 /nfs/dbraw/zinc/77/64/37/813776437.db2.gz SBJTUPSYLYXMHC-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001208618175 813776446 /nfs/dbraw/zinc/77/64/46/813776446.db2.gz SBJTUPSYLYXMHC-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208618175 813776451 /nfs/dbraw/zinc/77/64/51/813776451.db2.gz SBJTUPSYLYXMHC-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)OCc2ccccc2)CC1 ZINC001208700380 813803644 /nfs/dbraw/zinc/80/36/44/813803644.db2.gz HWFUOZGNHBFDEO-INIZCTEOSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)OCc2ccccc2)CC1 ZINC001208700380 813803652 /nfs/dbraw/zinc/80/36/52/813803652.db2.gz HWFUOZGNHBFDEO-INIZCTEOSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC001208711580 813809552 /nfs/dbraw/zinc/80/95/52/813809552.db2.gz VRWLYYSGPDDPSZ-NXHRZFHOSA-N 2 1 294.442 3.437 20 0 CGADMP C[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC001208711580 813809564 /nfs/dbraw/zinc/80/95/64/813809564.db2.gz VRWLYYSGPDDPSZ-NXHRZFHOSA-N 2 1 294.442 3.437 20 0 CGADMP C[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC001208711580 813809567 /nfs/dbraw/zinc/80/95/67/813809567.db2.gz VRWLYYSGPDDPSZ-NXHRZFHOSA-N 2 1 294.442 3.437 20 0 CGADMP CC/C=C\CC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001208726346 813814578 /nfs/dbraw/zinc/81/45/78/813814578.db2.gz UNGREHRJYXWMRW-XFHJGTJQSA-N 2 1 294.483 3.166 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001208726346 813814589 /nfs/dbraw/zinc/81/45/89/813814589.db2.gz UNGREHRJYXWMRW-XFHJGTJQSA-N 2 1 294.483 3.166 20 0 CGADMP CC/C=C\CC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001208726346 813814603 /nfs/dbraw/zinc/81/46/03/813814603.db2.gz UNGREHRJYXWMRW-XFHJGTJQSA-N 2 1 294.483 3.166 20 0 CGADMP CC/C=C\CC[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001208726346 813814611 /nfs/dbraw/zinc/81/46/11/813814611.db2.gz UNGREHRJYXWMRW-XFHJGTJQSA-N 2 1 294.483 3.166 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(C)CCCCC1 ZINC001208900460 813889400 /nfs/dbraw/zinc/88/94/00/813889400.db2.gz UZHJVOLPRMFOJB-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947434 813908569 /nfs/dbraw/zinc/90/85/69/813908569.db2.gz JZBORVBNBRDVPM-AEFFLSMTSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947434 813908577 /nfs/dbraw/zinc/90/85/77/813908577.db2.gz JZBORVBNBRDVPM-AEFFLSMTSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947434 813908582 /nfs/dbraw/zinc/90/85/82/813908582.db2.gz JZBORVBNBRDVPM-AEFFLSMTSA-N 2 1 272.436 3.240 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCc2cccnc2)CC1 ZINC001209175540 813956885 /nfs/dbraw/zinc/95/68/85/813956885.db2.gz BEYAEMUJBFYVJM-UHFFFAOYSA-N 2 1 289.467 3.066 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209432264 814033269 /nfs/dbraw/zinc/03/32/69/814033269.db2.gz PXOPJJBEZUXZEZ-GDBMZVCRSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209432264 814033274 /nfs/dbraw/zinc/03/32/74/814033274.db2.gz PXOPJJBEZUXZEZ-GDBMZVCRSA-N 2 1 290.426 3.378 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2cnccc2N)c1 ZINC001209728831 814122504 /nfs/dbraw/zinc/12/25/04/814122504.db2.gz VOSXWZDTBJIJLG-QGZVFWFLSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2c[nH+]ccc2N)c1 ZINC001209728831 814122514 /nfs/dbraw/zinc/12/25/14/814122514.db2.gz VOSXWZDTBJIJLG-QGZVFWFLSA-N 2 1 267.376 3.140 20 0 CGADMP Nc1cc[nH+]cc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001209734221 814124004 /nfs/dbraw/zinc/12/40/04/814124004.db2.gz OLHVJQNMEXCDRD-UHFFFAOYSA-N 2 1 295.430 3.339 20 0 CGADMP Cc1cc(C)c(-c2cnn(C3CC[NH+](C)CC3)c2)c(C)[nH+]1 ZINC001242731311 823115258 /nfs/dbraw/zinc/11/52/58/823115258.db2.gz VSZRAHNCHMBBLO-UHFFFAOYSA-N 2 1 284.407 3.137 20 0 CGADMP C=C(c1ccccc1)c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242894483 823166249 /nfs/dbraw/zinc/16/62/49/823166249.db2.gz QMUATWZMEXXQAU-UHFFFAOYSA-N 2 1 275.355 3.083 20 0 CGADMP C(C1CCCC1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155028 816363093 /nfs/dbraw/zinc/36/30/93/816363093.db2.gz VUSXVSJQIGPJBI-QGZVFWFLSA-N 2 1 264.457 3.422 20 0 CGADMP c1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161078 816366290 /nfs/dbraw/zinc/36/62/90/816366290.db2.gz KQBFBTNYMONLNJ-GOSISDBHSA-N 2 1 272.436 3.432 20 0 CGADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308626 816403298 /nfs/dbraw/zinc/40/32/98/816403298.db2.gz KTMREZSNHQXDSE-KRWDZBQOSA-N 2 1 294.389 3.115 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222309243 816403647 /nfs/dbraw/zinc/40/36/47/816403647.db2.gz OTPPAJAPYKFRHA-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309678 816405021 /nfs/dbraw/zinc/40/50/21/816405021.db2.gz PIVMFXZUXZZOFT-SFHVURJKSA-N 2 1 288.435 3.193 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222315410 816406179 /nfs/dbraw/zinc/40/61/79/816406179.db2.gz NGVQEZHBZBMFHZ-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316750 816407654 /nfs/dbraw/zinc/40/76/54/816407654.db2.gz XXPMNBFITTVFAP-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347232 816414991 /nfs/dbraw/zinc/41/49/91/816414991.db2.gz ZUMKLRMGVNADOR-IBGZPJMESA-N 2 1 297.446 3.379 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347232 816414994 /nfs/dbraw/zinc/41/49/94/816414994.db2.gz ZUMKLRMGVNADOR-IBGZPJMESA-N 2 1 297.446 3.379 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222346086 816415158 /nfs/dbraw/zinc/41/51/58/816415158.db2.gz PNTPIKQKGQEADE-SFHVURJKSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222346086 816415161 /nfs/dbraw/zinc/41/51/61/816415161.db2.gz PNTPIKQKGQEADE-SFHVURJKSA-N 2 1 272.436 3.330 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346817 816415500 /nfs/dbraw/zinc/41/55/00/816415500.db2.gz TWOIVNIBPBMHBQ-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346817 816415504 /nfs/dbraw/zinc/41/55/04/816415504.db2.gz TWOIVNIBPBMHBQ-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCC(F)(C[NH3+])CC2)c1Cl ZINC001222531547 816462848 /nfs/dbraw/zinc/46/28/48/816462848.db2.gz CUUNOESWEHCBDP-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP Cc1ccsc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595723 816474175 /nfs/dbraw/zinc/47/41/75/816474175.db2.gz HRUQXAHCWULMCP-INIZCTEOSA-N 2 1 298.455 3.246 20 0 CGADMP CC[N@H+]1CCc2cc(-c3ccc(C[NH2+]C)cc3)ccc2C1 ZINC001242990885 823200312 /nfs/dbraw/zinc/20/03/12/823200312.db2.gz DRGVVTRLCXYUSL-UHFFFAOYSA-N 2 1 280.415 3.451 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222620273 816479331 /nfs/dbraw/zinc/47/93/31/816479331.db2.gz KKOWCUUQBVMPLI-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ncccc2Cl)CC1 ZINC001231959017 818216686 /nfs/dbraw/zinc/21/66/86/818216686.db2.gz IFKXSAYGZGDGPK-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ncccc2Cl)CC1 ZINC001231959017 818216695 /nfs/dbraw/zinc/21/66/95/818216695.db2.gz IFKXSAYGZGDGPK-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP COc1cccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014422 818233591 /nfs/dbraw/zinc/23/35/91/818233591.db2.gz HJFJELMLAAXJRY-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP COc1ccccc1CC[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014592 818233738 /nfs/dbraw/zinc/23/37/38/818233738.db2.gz RQMUYSJUYOVZOC-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013457 818234140 /nfs/dbraw/zinc/23/41/40/818234140.db2.gz OYEZIZZPAIIJSJ-QAPCUYQASA-N 2 1 299.418 3.202 20 0 CGADMP C[N@@H+](CCC=Cc1cccnc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017417 818235570 /nfs/dbraw/zinc/23/55/70/818235570.db2.gz RIOJVUWMEUXLLH-GORDUTHDSA-N 2 1 292.386 3.493 20 0 CGADMP COc1cccc2c1CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232017187 818235814 /nfs/dbraw/zinc/23/58/14/818235814.db2.gz MOWAWAJKZHZBSQ-UHFFFAOYSA-N 2 1 293.370 3.130 20 0 CGADMP COc1cccc2c1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232017187 818235820 /nfs/dbraw/zinc/23/58/20/818235820.db2.gz MOWAWAJKZHZBSQ-UHFFFAOYSA-N 2 1 293.370 3.130 20 0 CGADMP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(Cl)nc1 ZINC001232015716 818236350 /nfs/dbraw/zinc/23/63/50/818236350.db2.gz MFQTXYJRRLBNJP-UHFFFAOYSA-N 2 1 286.766 3.243 20 0 CGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(Cl)nc1 ZINC001232015716 818236356 /nfs/dbraw/zinc/23/63/56/818236356.db2.gz MFQTXYJRRLBNJP-UHFFFAOYSA-N 2 1 286.766 3.243 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3c2CCCC3)CC1 ZINC001232639320 818408612 /nfs/dbraw/zinc/40/86/12/818408612.db2.gz ZHOJPDGFQGVFLY-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3c2CCCC3)CC1 ZINC001232639320 818408614 /nfs/dbraw/zinc/40/86/14/818408614.db2.gz ZHOJPDGFQGVFLY-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP Cc1cnsc1CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001233321211 818578383 /nfs/dbraw/zinc/57/83/83/818578383.db2.gz DZVJFIVRBSGXCG-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cnsc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001233321211 818578388 /nfs/dbraw/zinc/57/83/88/818578388.db2.gz DZVJFIVRBSGXCG-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cnsc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001233321211 818578394 /nfs/dbraw/zinc/57/83/94/818578394.db2.gz DZVJFIVRBSGXCG-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cnsc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001233321211 818578399 /nfs/dbraw/zinc/57/83/99/818578399.db2.gz DZVJFIVRBSGXCG-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cnsc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001233321211 818578403 /nfs/dbraw/zinc/57/84/03/818578403.db2.gz DZVJFIVRBSGXCG-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP c1csc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001234978184 818968632 /nfs/dbraw/zinc/96/86/32/818968632.db2.gz GUONTGKVZRFOCM-GASCZTMLSA-N 2 1 284.428 3.066 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001235029860 818982832 /nfs/dbraw/zinc/98/28/32/818982832.db2.gz BBCHSGYVFRZCSO-SFHVURJKSA-N 2 1 272.436 3.040 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1(C)C ZINC001235032631 818983804 /nfs/dbraw/zinc/98/38/04/818983804.db2.gz SAPZHJXUOJFRFN-WBVHZDCISA-N 2 1 262.441 3.054 20 0 CGADMP COc1ccc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235037217 818986314 /nfs/dbraw/zinc/98/63/14/818986314.db2.gz FGVGRVAKAJUVHX-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)CC2)cc1 ZINC001235037016 818986490 /nfs/dbraw/zinc/98/64/90/818986490.db2.gz BCDZFPPRAZCMIJ-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041810 818987795 /nfs/dbraw/zinc/98/77/95/818987795.db2.gz SZHDLCPASDYTKK-MJSXRHKHSA-N 2 1 250.430 3.341 20 0 CGADMP c1ccc(C(C[N@@H+]2CC[C@]3(CC[NH2+]3)C2)c2ccccc2)cc1 ZINC001235067365 818994634 /nfs/dbraw/zinc/99/46/34/818994634.db2.gz YYSXAUSVNMARHV-HXUWFJFHSA-N 2 1 292.426 3.256 20 0 CGADMP c1ccc(C(C[N@H+]2CC[C@]3(CC[NH2+]3)C2)c2ccccc2)cc1 ZINC001235067365 818994642 /nfs/dbraw/zinc/99/46/42/818994642.db2.gz YYSXAUSVNMARHV-HXUWFJFHSA-N 2 1 292.426 3.256 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235154508 819017904 /nfs/dbraw/zinc/01/79/04/819017904.db2.gz MESZOPIZEXATAG-SFHVURJKSA-N 2 1 290.426 3.488 20 0 CGADMP COc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(C)c1 ZINC001235189364 819030808 /nfs/dbraw/zinc/03/08/08/819030808.db2.gz JIVXLXMGBVKGAR-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3Oc3ccc(F)cc3)C[C@H]21 ZINC001235210973 819037690 /nfs/dbraw/zinc/03/76/90/819037690.db2.gz SGMIVCXJBKZFCK-VQFNDLOPSA-N 2 1 298.361 3.007 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3Oc3ccc(F)cc3)C[C@H]21 ZINC001235210973 819037696 /nfs/dbraw/zinc/03/76/96/819037696.db2.gz SGMIVCXJBKZFCK-VQFNDLOPSA-N 2 1 298.361 3.007 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235254154 819051070 /nfs/dbraw/zinc/05/10/70/819051070.db2.gz BCVPZEHRVANVMJ-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235254154 819051076 /nfs/dbraw/zinc/05/10/76/819051076.db2.gz BCVPZEHRVANVMJ-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235273367 819059156 /nfs/dbraw/zinc/05/91/56/819059156.db2.gz RNDYUVDTCPAWHH-UKRRQHHQSA-N 2 1 286.444 3.394 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235276583 819060744 /nfs/dbraw/zinc/06/07/44/819060744.db2.gz ZOIMSDKTCPUFTK-WBVHZDCISA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235276583 819060750 /nfs/dbraw/zinc/06/07/50/819060750.db2.gz ZOIMSDKTCPUFTK-WBVHZDCISA-N 2 1 288.435 3.048 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cs1 ZINC001235350477 819076130 /nfs/dbraw/zinc/07/61/30/819076130.db2.gz IAFYCIZWHOMRTR-QZTJIDSGSA-N 2 1 298.455 3.327 20 0 CGADMP c1cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cs1 ZINC001235350477 819076136 /nfs/dbraw/zinc/07/61/36/819076136.db2.gz IAFYCIZWHOMRTR-QZTJIDSGSA-N 2 1 298.455 3.327 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235401020 819086117 /nfs/dbraw/zinc/08/61/17/819086117.db2.gz FQHAPHBHLOYLQM-ROUUACIJSA-N 2 1 290.426 3.163 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235401021 819086292 /nfs/dbraw/zinc/08/62/92/819086292.db2.gz FQHAPHBHLOYLQM-ZWKOTPCHSA-N 2 1 290.426 3.163 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235401425 819086334 /nfs/dbraw/zinc/08/63/34/819086334.db2.gz GOKYVKNJUVVXFY-QZTJIDSGSA-N 2 1 288.410 3.088 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1 ZINC001235406824 819087980 /nfs/dbraw/zinc/08/79/80/819087980.db2.gz RBEQMXHNWXKJSS-QZTJIDSGSA-N 2 1 290.426 3.135 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001235426304 819092413 /nfs/dbraw/zinc/09/24/13/819092413.db2.gz OQRMXXNCBGJRMH-VQTJNVASSA-N 2 1 298.474 3.113 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+](C)C2CC[NH2+]CC2)c1C ZINC001235465246 819106698 /nfs/dbraw/zinc/10/66/98/819106698.db2.gz ICZYEHWIWIFOMH-UHFFFAOYSA-N 2 1 266.816 3.141 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)c(C)c1Cl ZINC001235466573 819107095 /nfs/dbraw/zinc/10/70/95/819107095.db2.gz OQOQSVCBDOUHOR-UHFFFAOYSA-N 2 1 266.816 3.141 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+](C)C1CC[NH2+]CC1 ZINC001235472834 819107964 /nfs/dbraw/zinc/10/79/64/819107964.db2.gz KGLZNLXFHZHYIL-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC001235472834 819107965 /nfs/dbraw/zinc/10/79/65/819107965.db2.gz KGLZNLXFHZHYIL-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663112 819131768 /nfs/dbraw/zinc/13/17/68/819131768.db2.gz QRYSGYGCTBECRQ-ZBFHGGJFSA-N 2 1 296.405 3.389 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663112 819131769 /nfs/dbraw/zinc/13/17/69/819131769.db2.gz QRYSGYGCTBECRQ-ZBFHGGJFSA-N 2 1 296.405 3.389 20 0 CGADMP CC1(C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]CC1 ZINC001235713584 819149196 /nfs/dbraw/zinc/14/91/96/819149196.db2.gz CYRHSFGQFFAECL-INIZCTEOSA-N 2 1 276.399 3.352 20 0 CGADMP Fc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235719767 819151510 /nfs/dbraw/zinc/15/15/10/819151510.db2.gz YNICTEUSWKSRAL-RHSMWYFYSA-N 2 1 276.399 3.352 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(F)cc(Cl)c1 ZINC001235717696 819152282 /nfs/dbraw/zinc/15/22/82/819152282.db2.gz ZELUADCPEIVAPV-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC2(CCCC2)C1 ZINC001235724289 819153076 /nfs/dbraw/zinc/15/30/76/819153076.db2.gz FVAHACZNIDNNFD-UHFFFAOYSA-N 2 1 262.441 3.032 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001235725431 819153589 /nfs/dbraw/zinc/15/35/89/819153589.db2.gz HEFMVPPQUVCTTJ-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc2cccnc21 ZINC001235726903 819154513 /nfs/dbraw/zinc/15/45/13/819154513.db2.gz RFNRZBSQXFYDMK-KRWDZBQOSA-N 2 1 283.419 3.199 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235941854 819233666 /nfs/dbraw/zinc/23/36/66/819233666.db2.gz XHPFNPZDPZNTAQ-HZPDHXFCSA-N 2 1 272.436 3.025 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939873 819234499 /nfs/dbraw/zinc/23/44/99/819234499.db2.gz QTRDCJIMVLWYIE-HZPDHXFCSA-N 2 1 298.455 3.456 20 0 CGADMP Clc1cccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235949701 819239834 /nfs/dbraw/zinc/23/98/34/819239834.db2.gz GABVPEPSJYYLIF-HIFRSBDPSA-N 2 1 278.827 3.129 20 0 CGADMP C[N@@H+](Cc1ccc(Oc2ccccc2)cc1)CC1C[NH2+]C1 ZINC001235950201 819239881 /nfs/dbraw/zinc/23/98/81/819239881.db2.gz UPYGOAZMABGIRL-UHFFFAOYSA-N 2 1 282.387 3.130 20 0 CGADMP C[N@H+](Cc1ccc(Oc2ccccc2)cc1)CC1C[NH2+]C1 ZINC001235950201 819239888 /nfs/dbraw/zinc/23/98/88/819239888.db2.gz UPYGOAZMABGIRL-UHFFFAOYSA-N 2 1 282.387 3.130 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC001235950208 819240648 /nfs/dbraw/zinc/24/06/48/819240648.db2.gz UTHBBEDXGSINCR-KRWDZBQOSA-N 2 1 276.424 3.351 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001235951833 819241108 /nfs/dbraw/zinc/24/11/08/819241108.db2.gz UJKOBZOOWDXQGL-AWEZNQCLSA-N 2 1 297.240 3.325 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001235957466 819246287 /nfs/dbraw/zinc/24/62/87/819246287.db2.gz OZUHACNJVCMVPG-GOSISDBHSA-N 2 1 274.452 3.461 20 0 CGADMP CCSc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235959372 819248466 /nfs/dbraw/zinc/24/84/66/819248466.db2.gz ORRTUEOYOHVIID-CQSZACIVSA-N 2 1 278.465 3.230 20 0 CGADMP CCSc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235959372 819248472 /nfs/dbraw/zinc/24/84/72/819248472.db2.gz ORRTUEOYOHVIID-CQSZACIVSA-N 2 1 278.465 3.230 20 0 CGADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235961913 819249057 /nfs/dbraw/zinc/24/90/57/819249057.db2.gz HFQMJQSOCQHPMG-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)CC1(C)CC[NH2+]CC1 ZINC001235962821 819251164 /nfs/dbraw/zinc/25/11/64/819251164.db2.gz NUHOBESADQGNEL-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP CC/C=C\CC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975779 819257332 /nfs/dbraw/zinc/25/73/32/819257332.db2.gz WJJVYLPPCMTKFV-ARJAWSKDSA-N 2 1 284.447 3.480 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235990285 819262003 /nfs/dbraw/zinc/26/20/03/819262003.db2.gz MMXKIDAMDGBJKF-MJGOQNOKSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235990285 819262008 /nfs/dbraw/zinc/26/20/08/819262008.db2.gz MMXKIDAMDGBJKF-MJGOQNOKSA-N 2 1 278.399 3.277 20 0 CGADMP COc1cccc(CCC[N@@H+](C)CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236041840 819280974 /nfs/dbraw/zinc/28/09/74/819280974.db2.gz MEHNVYXRQUMLCT-KRWDZBQOSA-N 2 1 290.451 3.092 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001236071168 819301113 /nfs/dbraw/zinc/30/11/13/819301113.db2.gz DRCKRAMYEJNHPI-CQSZACIVSA-N 2 1 266.388 3.092 20 0 CGADMP c1ccc2c(c1)oc1c2CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001236086739 819308252 /nfs/dbraw/zinc/30/82/52/819308252.db2.gz RMJPRORYBGSDBL-UHFFFAOYSA-N 2 1 284.403 3.181 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CCC[NH2+]1 ZINC001236095549 819314091 /nfs/dbraw/zinc/31/40/91/819314091.db2.gz WHKABQRICUWSEA-HNNXBMFYSA-N 2 1 292.426 3.442 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CCC[NH2+]1 ZINC001236095549 819314098 /nfs/dbraw/zinc/31/40/98/819314098.db2.gz WHKABQRICUWSEA-HNNXBMFYSA-N 2 1 292.426 3.442 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(F)c3ccccc23)CCC[NH2+]1 ZINC001236095166 819314592 /nfs/dbraw/zinc/31/45/92/819314592.db2.gz NTQSAYIMCIHKAR-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c3ccccc23)CCC[NH2+]1 ZINC001236095166 819314597 /nfs/dbraw/zinc/31/45/97/819314597.db2.gz NTQSAYIMCIHKAR-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C2(CC2)C1 ZINC001236154769 819348490 /nfs/dbraw/zinc/34/84/90/819348490.db2.gz SBNNKKYUFQJMQW-CQSZACIVSA-N 2 1 295.430 3.119 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(F)c(C)c1)C1CC[NH2+]CC1 ZINC001236182446 819359606 /nfs/dbraw/zinc/35/96/06/819359606.db2.gz PBPCNSMDIDHGPQ-UHFFFAOYSA-N 2 1 278.415 3.407 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236188985 819362144 /nfs/dbraw/zinc/36/21/44/819362144.db2.gz HFZVSBVOQQJPEX-KBXCAEBGSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236188985 819362148 /nfs/dbraw/zinc/36/21/48/819362148.db2.gz HFZVSBVOQQJPEX-KBXCAEBGSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001236190293 819363530 /nfs/dbraw/zinc/36/35/30/819363530.db2.gz SRTNNRGBPGUBTI-SFHVURJKSA-N 2 1 283.419 3.304 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(OC)ccc2Cl)CC1 ZINC001236212653 819374604 /nfs/dbraw/zinc/37/46/04/819374604.db2.gz KQTXNPHRKGJYEG-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213745 819377007 /nfs/dbraw/zinc/37/70/07/819377007.db2.gz BFXLWBXRQMMMPV-MSOLQXFVSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213745 819377012 /nfs/dbraw/zinc/37/70/12/819377012.db2.gz BFXLWBXRQMMMPV-MSOLQXFVSA-N 2 1 284.403 3.247 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC001236216865 819382817 /nfs/dbraw/zinc/38/28/17/819382817.db2.gz LMCLKAYXMGXOJL-IRXDYDNUSA-N 2 1 276.424 3.014 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC001236216865 819382822 /nfs/dbraw/zinc/38/28/22/819382822.db2.gz LMCLKAYXMGXOJL-IRXDYDNUSA-N 2 1 276.424 3.014 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1CC ZINC001236219173 819387112 /nfs/dbraw/zinc/38/71/12/819387112.db2.gz VJKNEKCHUYAATN-IRXDYDNUSA-N 2 1 290.451 3.349 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1CC ZINC001236219173 819387117 /nfs/dbraw/zinc/38/71/17/819387117.db2.gz VJKNEKCHUYAATN-IRXDYDNUSA-N 2 1 290.451 3.349 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321135 819424868 /nfs/dbraw/zinc/42/48/68/819424868.db2.gz FYXMTDBNUQWEMB-CALCHBBNSA-N 2 1 296.414 3.378 20 0 CGADMP CCC[N@H+](Cc1cccc2ccoc21)[C@H]1CC[NH2+]C1 ZINC001236323620 819426102 /nfs/dbraw/zinc/42/61/02/819426102.db2.gz HSZQTDBMAGBWKX-HNNXBMFYSA-N 2 1 258.365 3.007 20 0 CGADMP CCC[N@@H+](Cc1cccc2ccoc21)[C@H]1CC[NH2+]C1 ZINC001236323620 819426104 /nfs/dbraw/zinc/42/61/04/819426104.db2.gz HSZQTDBMAGBWKX-HNNXBMFYSA-N 2 1 258.365 3.007 20 0 CGADMP COCC[N@H+](CC[C@H]1CC=C(C)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC001236331140 819428123 /nfs/dbraw/zinc/42/81/23/819428123.db2.gz WQBUBFSAVFBJMW-SJORKVTESA-N 2 1 294.483 3.069 20 0 CGADMP COCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC001236331140 819428129 /nfs/dbraw/zinc/42/81/29/819428129.db2.gz WQBUBFSAVFBJMW-SJORKVTESA-N 2 1 294.483 3.069 20 0 CGADMP C(C1CCC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236369535 819439277 /nfs/dbraw/zinc/43/92/77/819439277.db2.gz ACUOJARNRATHEI-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+](Cc1ccc(C)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407090 819454681 /nfs/dbraw/zinc/45/46/81/819454681.db2.gz BPILPQHLRGCDOU-CQSZACIVSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1cc(OC(C)C)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236410143 819457541 /nfs/dbraw/zinc/45/75/41/819457541.db2.gz DTJLOENCIWVKBF-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236411594 819457681 /nfs/dbraw/zinc/45/76/81/819457681.db2.gz NKLNVQTZDRTTBA-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236411594 819457684 /nfs/dbraw/zinc/45/76/84/819457684.db2.gz NKLNVQTZDRTTBA-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@](F)(C[NH3+])C2)cc1 ZINC001236433713 819476983 /nfs/dbraw/zinc/47/69/83/819476983.db2.gz HNTRPXOTVMTWJT-MAUKXSAKSA-N 2 1 292.442 3.361 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC001236434529 819478004 /nfs/dbraw/zinc/47/80/04/819478004.db2.gz MEEKARMDDIQPBN-IBGZPJMESA-N 2 1 298.405 3.191 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@@H]2C[C@H]2C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491927 819501860 /nfs/dbraw/zinc/50/18/60/819501860.db2.gz HWBSOWUHPCJPMM-ZBFHGGJFSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1ccc(C[N@H+](C[C@@H]2C[C@H]2C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491927 819501866 /nfs/dbraw/zinc/50/18/66/819501866.db2.gz HWBSOWUHPCJPMM-ZBFHGGJFSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@H]2C[C@H]2C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491923 819501923 /nfs/dbraw/zinc/50/19/23/819501923.db2.gz HWBSOWUHPCJPMM-GDBMZVCRSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1ccc(C[N@H+](C[C@H]2C[C@H]2C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491923 819501930 /nfs/dbraw/zinc/50/19/30/819501930.db2.gz HWBSOWUHPCJPMM-GDBMZVCRSA-N 2 1 290.426 3.344 20 0 CGADMP Fc1ccc(C[N@@H+](CC2CCC2)C2CC[NH2+]CC2)cc1F ZINC001236498933 819504589 /nfs/dbraw/zinc/50/45/89/819504589.db2.gz DOZHLOFPYSGBPF-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP Cc1cccc(CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584542 819545761 /nfs/dbraw/zinc/54/57/61/819545761.db2.gz KXQKQWDQAYHGLY-KRWDZBQOSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1cccc(CC[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236634119 819556883 /nfs/dbraw/zinc/55/68/83/819556883.db2.gz RKDOXQXBPPEBMZ-UHFFFAOYSA-N 2 1 272.436 3.144 20 0 CGADMP CCCCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC001236820301 819607542 /nfs/dbraw/zinc/60/75/42/819607542.db2.gz PVVAVMPBAQZIFV-RYQLBKOJSA-N 2 1 288.435 3.035 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236827490 819609231 /nfs/dbraw/zinc/60/92/31/819609231.db2.gz GFFOWRRLSBVQSG-ITDIGPHOSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236827490 819609237 /nfs/dbraw/zinc/60/92/37/819609237.db2.gz GFFOWRRLSBVQSG-ITDIGPHOSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1C ZINC001236832689 819611393 /nfs/dbraw/zinc/61/13/93/819611393.db2.gz WUQCDZHXJJXPDX-WDSOQIARSA-N 2 1 286.463 3.398 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@H]12 ZINC001236831461 819612338 /nfs/dbraw/zinc/61/23/38/819612338.db2.gz RILBLFWCOAXVDT-OKZBNKHCSA-N 2 1 270.420 3.123 20 0 CGADMP CCC[N@H+](Cc1ccc(CC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835722 819614707 /nfs/dbraw/zinc/61/47/07/819614707.db2.gz POLXRMLFDUKGAF-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236842962 819618099 /nfs/dbraw/zinc/61/80/99/819618099.db2.gz IKYNASIMNFESEL-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1cccc(CC)c1)C[C@H]1CC[NH2+]C1 ZINC001236843853 819619252 /nfs/dbraw/zinc/61/92/52/819619252.db2.gz RQXYKVJGAGZUNA-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP CCC[N@H+](Cc1cccc2ccoc21)C[C@H]1CC[NH2+]C1 ZINC001236844587 819619854 /nfs/dbraw/zinc/61/98/54/819619854.db2.gz WMQNLIWWMDQWII-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@](C)(C[NH3+])C2)CC1 ZINC001237056786 819654497 /nfs/dbraw/zinc/65/44/97/819654497.db2.gz JTYGXXAGNDMWCS-XHSDSOJGSA-N 2 1 250.430 3.040 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001237056768 819654708 /nfs/dbraw/zinc/65/47/08/819654708.db2.gz JRUHSYKXZSJIDP-GOSISDBHSA-N 2 1 274.452 3.460 20 0 CGADMP CC1(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001237246597 819710340 /nfs/dbraw/zinc/71/03/40/819710340.db2.gz CJDYMORBOMKEMP-KRWDZBQOSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001237322329 819724760 /nfs/dbraw/zinc/72/47/60/819724760.db2.gz NUWUDQJCXLEFDQ-UHFFFAOYSA-N 2 1 278.415 3.360 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001237322329 819724765 /nfs/dbraw/zinc/72/47/65/819724765.db2.gz NUWUDQJCXLEFDQ-UHFFFAOYSA-N 2 1 278.415 3.360 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381619 819737605 /nfs/dbraw/zinc/73/76/05/819737605.db2.gz JFJPANNYVYTFEQ-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237404081 819745466 /nfs/dbraw/zinc/74/54/66/819745466.db2.gz MXWNHPJWUWRTCR-RBUKOAKNSA-N 2 1 286.463 3.459 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c12 ZINC001237411587 819747518 /nfs/dbraw/zinc/74/75/18/819747518.db2.gz GXTMWPCWTXDQKW-DOTOQJQBSA-N 2 1 295.430 3.117 20 0 CGADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2c(c1)CCCC2 ZINC001237419324 819749004 /nfs/dbraw/zinc/74/90/04/819749004.db2.gz ZWRSLYWKJNMKSB-IEBWSBKVSA-N 2 1 284.447 3.139 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)CCC[NH+](C)C ZINC001237732526 819823636 /nfs/dbraw/zinc/82/36/36/819823636.db2.gz WRJFYNBJNFRJQA-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)CCC[NH+](C)C ZINC001237732526 819823643 /nfs/dbraw/zinc/82/36/43/819823643.db2.gz WRJFYNBJNFRJQA-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP CC[N@@H+](Cc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238102493 819933811 /nfs/dbraw/zinc/93/38/11/819933811.db2.gz DNMDBQRLZJRUQK-UHFFFAOYSA-N 2 1 265.360 3.356 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(C2CC2)c1 ZINC001238517869 820035150 /nfs/dbraw/zinc/03/51/50/820035150.db2.gz VGNIXDOWWJIFJB-UHFFFAOYSA-N 2 1 278.415 3.477 20 0 CGADMP CC[NH+](CC)Cc1cccc(C2=CCC[N@@H+](C)C2)c1F ZINC001241571847 821959280 /nfs/dbraw/zinc/95/92/80/821959280.db2.gz HVCPCYUDFILNFG-UHFFFAOYSA-N 2 1 276.399 3.386 20 0 CGADMP Cc1cscc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241729278 822108989 /nfs/dbraw/zinc/10/89/89/822108989.db2.gz IMWWDFZJTWKMMA-UHFFFAOYSA-N 2 1 269.373 3.058 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccnc(Cl)c2)C1 ZINC001340517712 936407153 /nfs/dbraw/zinc/40/71/53/936407153.db2.gz VLGWJDSNMNXONC-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC001340517712 936407157 /nfs/dbraw/zinc/40/71/57/936407157.db2.gz VLGWJDSNMNXONC-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]2C1 ZINC001343332426 936495587 /nfs/dbraw/zinc/49/55/87/936495587.db2.gz DHRXBKUKOAGWNZ-WOSRLPQWSA-N 2 1 294.389 3.127 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001343882364 936516472 /nfs/dbraw/zinc/51/64/72/936516472.db2.gz PMIXVQWPSYRLES-OKILXGFUSA-N 2 1 269.392 3.072 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001349911894 936968572 /nfs/dbraw/zinc/96/85/72/936968572.db2.gz SCJKGLKRQDNKMB-UKRRQHHQSA-N 2 1 288.439 3.052 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2C[C@]2(C)CCC[NH2+]C2)c1 ZINC001352788313 937049508 /nfs/dbraw/zinc/04/95/08/937049508.db2.gz OKIMXNZZRJNNGJ-QZTJIDSGSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H]2CCCC[C@H]12 ZINC001474382585 937205508 /nfs/dbraw/zinc/20/55/08/937205508.db2.gz FOPLDSPDTKRVGZ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001473912740 937202297 /nfs/dbraw/zinc/20/22/97/937202297.db2.gz UTXGJZXJYAXYQJ-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158094548 928257769 /nfs/dbraw/zinc/25/77/69/928257769.db2.gz UMHRRWDEKLLMQD-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP CCCC[N@@H+](CCCOC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001460549582 937534595 /nfs/dbraw/zinc/53/45/95/937534595.db2.gz XJHLMXMSZARWNZ-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP CCc1nc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000314043248 932028749 /nfs/dbraw/zinc/02/87/49/932028749.db2.gz AJXZKPKETUSACC-CXAGYDPISA-N 2 1 290.455 3.270 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)cn1 ZINC001461072124 937562129 /nfs/dbraw/zinc/56/21/29/937562129.db2.gz PZMGDWQAFROZQP-JKIFEVAISA-N 2 1 298.434 3.490 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001461181100 937568127 /nfs/dbraw/zinc/56/81/27/937568127.db2.gz ZJOYIZIEWRCICF-XDNAFOTISA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001461181100 937568128 /nfs/dbraw/zinc/56/81/28/937568128.db2.gz ZJOYIZIEWRCICF-XDNAFOTISA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)CC1CCCCC1 ZINC001461176075 937568178 /nfs/dbraw/zinc/56/81/78/937568178.db2.gz BFKAXNPUNUXYST-RYQLBKOJSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)CC1CCCCC1 ZINC001461176075 937568179 /nfs/dbraw/zinc/56/81/79/937568179.db2.gz BFKAXNPUNUXYST-RYQLBKOJSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1)[NH+](C)C ZINC001229625917 932180346 /nfs/dbraw/zinc/18/03/46/932180346.db2.gz IYJNLDKWVQEKCO-SCNOPHJPSA-N 2 1 288.435 3.313 20 0 CGADMP C[N@H+](Cc1ccc(C2CC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001461887087 937603597 /nfs/dbraw/zinc/60/35/97/937603597.db2.gz ILRYRDKQTDJNEU-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](Cc1ccc(C2CC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001461887087 937603599 /nfs/dbraw/zinc/60/35/99/937603599.db2.gz ILRYRDKQTDJNEU-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](Cc1ccc(C2CC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001461887087 937603601 /nfs/dbraw/zinc/60/36/01/937603601.db2.gz ILRYRDKQTDJNEU-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1C(C)(C)C ZINC001462211629 937625473 /nfs/dbraw/zinc/62/54/73/937625473.db2.gz SIDAGOZSUSAOCI-UHFFFAOYSA-N 2 1 292.467 3.376 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1C(C)(C)C ZINC001462211629 937625475 /nfs/dbraw/zinc/62/54/75/937625475.db2.gz SIDAGOZSUSAOCI-UHFFFAOYSA-N 2 1 292.467 3.376 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC001462263790 937628478 /nfs/dbraw/zinc/62/84/78/937628478.db2.gz HRWMYMWVQBWNIL-BZSNNMDCSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC001307515314 932964776 /nfs/dbraw/zinc/96/47/76/932964776.db2.gz ZYOLMFZIFQIDPI-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC001307515314 932964778 /nfs/dbraw/zinc/96/47/78/932964778.db2.gz ZYOLMFZIFQIDPI-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001307515314 932964780 /nfs/dbraw/zinc/96/47/80/932964780.db2.gz ZYOLMFZIFQIDPI-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCOc1ccccc1 ZINC001308195334 933070657 /nfs/dbraw/zinc/07/06/57/933070657.db2.gz YTAAEOUVIOCPHM-UHFFFAOYSA-N 2 1 299.418 3.096 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC001308209889 933071783 /nfs/dbraw/zinc/07/17/83/933071783.db2.gz VNZGBDDZZGXOPP-AWEZNQCLSA-N 2 1 266.816 3.080 20 0 CGADMP CCC1(C[NH2+]CC[N@H+](C)C2CCCCC2)CCOCC1 ZINC001308229252 933077708 /nfs/dbraw/zinc/07/77/08/933077708.db2.gz XVERYQKWMXDKRP-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP CCC1(C[NH2+]CC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC001308229252 933077712 /nfs/dbraw/zinc/07/77/12/933077712.db2.gz XVERYQKWMXDKRP-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]CCCc1ccc(F)c(F)c1 ZINC001308848071 933188869 /nfs/dbraw/zinc/18/88/69/933188869.db2.gz ODPSYMUYFGQLCI-UHFFFAOYSA-N 2 1 298.421 3.465 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001308848073 933189213 /nfs/dbraw/zinc/18/92/13/933189213.db2.gz OHCONIBUFYRNOE-QZTJIDSGSA-N 2 1 274.452 3.358 20 0 CGADMP CC[NH+](CC)CC[C@@H]([NH2+]C1CC(OC)C1)c1ccccc1 ZINC001308982425 933221118 /nfs/dbraw/zinc/22/11/18/933221118.db2.gz TYBPMKQHVAKAOX-DAWZGUTISA-N 2 1 290.451 3.227 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001308983619 933221928 /nfs/dbraw/zinc/22/19/28/933221928.db2.gz GFDZIALCOZCHDX-ZOFXXKQRSA-N 2 1 266.473 3.377 20 0 CGADMP C[C@H]([NH2+]C1(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001320409328 934045216 /nfs/dbraw/zinc/04/52/16/934045216.db2.gz CTLJSHPRZSMWJP-HOCLYGCPSA-N 2 1 258.409 3.039 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC001320718977 934092428 /nfs/dbraw/zinc/09/24/28/934092428.db2.gz JPWLUSJRQWIKOE-CABCVRRESA-N 2 1 250.430 3.172 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001323596064 934409471 /nfs/dbraw/zinc/40/94/71/934409471.db2.gz SIXNQNWFBQBLQH-HUUCEWRRSA-N 2 1 275.440 3.027 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC001323596064 934409476 /nfs/dbraw/zinc/40/94/76/934409476.db2.gz SIXNQNWFBQBLQH-HUUCEWRRSA-N 2 1 275.440 3.027 20 0 CGADMP C([C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC001473177802 937795732 /nfs/dbraw/zinc/79/57/32/937795732.db2.gz OZBLYELLTJHRPN-QGZVFWFLSA-N 2 1 276.468 3.375 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCCCC1(C)C ZINC001473182364 937795912 /nfs/dbraw/zinc/79/59/12/937795912.db2.gz BOUOUGHVMLVPHD-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CCCCC1(C)C ZINC001473182364 937795914 /nfs/dbraw/zinc/79/59/14/937795914.db2.gz BOUOUGHVMLVPHD-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CCCCC1(C)C ZINC001473182364 937795915 /nfs/dbraw/zinc/79/59/15/937795915.db2.gz BOUOUGHVMLVPHD-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/C1CC1 ZINC001324969583 934878205 /nfs/dbraw/zinc/87/82/05/934878205.db2.gz RZGOJRNYEJQXGK-HPWWWVCSSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@H](C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC001473689794 937817446 /nfs/dbraw/zinc/81/74/46/937817446.db2.gz OGNXCXMMIBUKJN-XIRDDKMYSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718956 937818666 /nfs/dbraw/zinc/81/86/66/937818666.db2.gz RAFDZQXYDNCTKH-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718956 937818668 /nfs/dbraw/zinc/81/86/68/937818668.db2.gz RAFDZQXYDNCTKH-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718956 937818669 /nfs/dbraw/zinc/81/86/69/937818669.db2.gz RAFDZQXYDNCTKH-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718956 937818671 /nfs/dbraw/zinc/81/86/71/937818671.db2.gz RAFDZQXYDNCTKH-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC001327772261 935083602 /nfs/dbraw/zinc/08/36/02/935083602.db2.gz KFTIYBRXDNURCO-HNNXBMFYSA-N 2 1 288.439 3.196 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOCc2ccccc2)CC1(C)C ZINC001331693338 935403871 /nfs/dbraw/zinc/40/38/71/935403871.db2.gz LPELMXOTOVDYTO-KRWDZBQOSA-N 2 1 290.451 3.056 20 0 CGADMP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC001332320745 935459405 /nfs/dbraw/zinc/45/94/05/935459405.db2.gz YAUPMQFDINWEKV-AWEZNQCLSA-N 2 1 296.418 3.152 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC001332386726 935464487 /nfs/dbraw/zinc/46/44/87/935464487.db2.gz WSDOFBKCCLAJCR-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP c1ccc([C@H]2CSCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC001333159931 935515112 /nfs/dbraw/zinc/51/51/12/935515112.db2.gz BGNKIZLYNPPIKD-NVXWUHKLSA-N 2 1 290.476 3.166 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2sccc2C)C1 ZINC001333419746 935534571 /nfs/dbraw/zinc/53/45/71/935534571.db2.gz AXVDKBUFQFLBIW-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001333892497 936073900 /nfs/dbraw/zinc/07/39/00/936073900.db2.gz RZQYDUYGVZRZAJ-RRFJBIMHSA-N 2 1 292.492 3.473 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC001334032553 936079544 /nfs/dbraw/zinc/07/95/44/936079544.db2.gz KREUPLWUKBUVIS-BRWVUGGUSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C)(O)CC2)C1 ZINC001335237333 936135068 /nfs/dbraw/zinc/13/50/68/936135068.db2.gz JRFNYQXLLUXNLB-HJOIGYKYSA-N 2 1 296.499 3.170 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C)(O)CC2)C1 ZINC001335237333 936135072 /nfs/dbraw/zinc/13/50/72/936135072.db2.gz JRFNYQXLLUXNLB-HJOIGYKYSA-N 2 1 296.499 3.170 20 0 CGADMP CSCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC001335534485 936151804 /nfs/dbraw/zinc/15/18/04/936151804.db2.gz WYBSXCPZCMYXNH-RHSMWYFYSA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC001335534485 936151806 /nfs/dbraw/zinc/15/18/06/936151806.db2.gz WYBSXCPZCMYXNH-RHSMWYFYSA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001335534485 936151807 /nfs/dbraw/zinc/15/18/07/936151807.db2.gz WYBSXCPZCMYXNH-RHSMWYFYSA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001335534485 936151809 /nfs/dbraw/zinc/15/18/09/936151809.db2.gz WYBSXCPZCMYXNH-RHSMWYFYSA-N 2 1 292.492 3.322 20 0 CGADMP CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(C)cs1 ZINC001336716838 936209192 /nfs/dbraw/zinc/20/91/92/936209192.db2.gz MQQQUBDAHIYSNQ-GSPSYOTPSA-N 2 1 279.453 3.117 20 0 CGADMP Cc1cccc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[nH+]1 ZINC001337915905 936297861 /nfs/dbraw/zinc/29/78/61/936297861.db2.gz RVGJBKUPYIVIEQ-GJZGRUSLSA-N 2 1 273.424 3.455 20 0 CGADMP Cc1cccc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[nH+]1 ZINC001337915905 936297865 /nfs/dbraw/zinc/29/78/65/936297865.db2.gz RVGJBKUPYIVIEQ-GJZGRUSLSA-N 2 1 273.424 3.455 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001473810105 937822835 /nfs/dbraw/zinc/82/28/35/937822835.db2.gz ULRMJITXFSQFIA-LSDHHAIUSA-N 2 1 299.393 3.492 20 0 CGADMP C[C@@H](c1ccccc1Cl)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842108 937824850 /nfs/dbraw/zinc/82/48/50/937824850.db2.gz JXLSOKBFHZDNBL-ZENOOKHLSA-N 2 1 278.827 3.285 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc2cccnc12 ZINC001473928007 937830934 /nfs/dbraw/zinc/83/09/34/937830934.db2.gz OMIZGKYSMWVVIV-HNNXBMFYSA-N 2 1 295.430 3.117 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc(C)n1 ZINC001474078260 937839183 /nfs/dbraw/zinc/83/91/83/937839183.db2.gz FEAACSONNCRVAR-KRWDZBQOSA-N 2 1 289.467 3.156 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C/C=C\c1ccccc1 ZINC001474199679 937843608 /nfs/dbraw/zinc/84/36/08/937843608.db2.gz KFHCAZGEYQANAI-XFFZJAGNSA-N 2 1 260.425 3.267 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1C[C@H]1C1CCCC1 ZINC001474301338 937849577 /nfs/dbraw/zinc/84/95/77/937849577.db2.gz JRZXSLBURKFRBS-ZBFHGGJFSA-N 2 1 273.424 3.064 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC001474303129 937849891 /nfs/dbraw/zinc/84/98/91/937849891.db2.gz QYEFVQQOTVENIL-KNXALSJPSA-N 2 1 288.366 3.002 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC001474303129 937849893 /nfs/dbraw/zinc/84/98/93/937849893.db2.gz QYEFVQQOTVENIL-KNXALSJPSA-N 2 1 288.366 3.002 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC001474451335 937860298 /nfs/dbraw/zinc/86/02/98/937860298.db2.gz BXZJRDIIFGJDFU-JSGCOSHPSA-N 2 1 292.389 3.381 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCC(C)(C)C1 ZINC001474501249 937863228 /nfs/dbraw/zinc/86/32/28/937863228.db2.gz SLBYLHSYANPNCR-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCC(C)(C)C1 ZINC001474501248 937863491 /nfs/dbraw/zinc/86/34/91/937863491.db2.gz SLBYLHSYANPNCR-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001474507493 937863698 /nfs/dbraw/zinc/86/36/98/937863698.db2.gz ACCKNYWCTKBWMY-SJORKVTESA-N 2 1 272.436 3.180 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001474507493 937863700 /nfs/dbraw/zinc/86/37/00/937863700.db2.gz ACCKNYWCTKBWMY-SJORKVTESA-N 2 1 272.436 3.180 20 0 CGADMP CCCOC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001474504001 937863760 /nfs/dbraw/zinc/86/37/60/937863760.db2.gz YHUJEFRHLGZVPB-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CC1 ZINC001474670066 937874014 /nfs/dbraw/zinc/87/40/14/937874014.db2.gz AWNXNARTIBGMKX-CJNGLKHVSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CC1 ZINC001474670066 937874016 /nfs/dbraw/zinc/87/40/16/937874016.db2.gz AWNXNARTIBGMKX-CJNGLKHVSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4ccccc34)C[C@]2(C)C1 ZINC001474729520 937877362 /nfs/dbraw/zinc/87/73/62/937877362.db2.gz GWFRYRJYEZILOQ-BEFAXECRSA-N 2 1 298.405 3.362 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4ccccc34)C[C@]2(C)C1 ZINC001474729520 937877364 /nfs/dbraw/zinc/87/73/64/937877364.db2.gz GWFRYRJYEZILOQ-BEFAXECRSA-N 2 1 298.405 3.362 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c4ccccc34)C[C@]2(C)C1 ZINC001474729520 937877365 /nfs/dbraw/zinc/87/73/65/937877365.db2.gz GWFRYRJYEZILOQ-BEFAXECRSA-N 2 1 298.405 3.362 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c4ccccc34)C[C@]2(C)C1 ZINC001474729520 937877367 /nfs/dbraw/zinc/87/73/67/937877367.db2.gz GWFRYRJYEZILOQ-BEFAXECRSA-N 2 1 298.405 3.362 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc[nH+]cc3)cc2)C1 ZINC001515203566 938005065 /nfs/dbraw/zinc/00/50/65/938005065.db2.gz DEPKBSAHQHJSMG-MRXNPFEDSA-N 2 1 295.430 3.348 20 0 CGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3cc(F)ccc3o1)C2 ZINC001549087509 938154949 /nfs/dbraw/zinc/15/49/49/938154949.db2.gz OPQGXFLFEGAUHZ-CXAGYDPISA-N 2 1 288.366 3.133 20 0 CGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](C/C=C/c1ccc(F)cc1F)C2 ZINC001549088007 938155027 /nfs/dbraw/zinc/15/50/27/938155027.db2.gz CHEREDORVIOZPX-YXQAPJRESA-N 2 1 292.373 3.039 20 0 CGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C/C=C/c1ccc(F)cc1F)C2 ZINC001549088007 938155028 /nfs/dbraw/zinc/15/50/28/938155028.db2.gz CHEREDORVIOZPX-YXQAPJRESA-N 2 1 292.373 3.039 20 0 CGADMP CCO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552080821 938189955 /nfs/dbraw/zinc/18/99/55/938189955.db2.gz LGJFTUASMCHEAB-XMTFNYHQSA-N 2 1 288.435 3.027 20 0 CGADMP CC(C)[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552080901 938190031 /nfs/dbraw/zinc/19/00/31/938190031.db2.gz ZVYACOGTVQWDIC-VSZNYVQBSA-N 2 1 272.436 3.361 20 0 CGADMP CO[C@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)C1CCCC1 ZINC001560100644 938243887 /nfs/dbraw/zinc/24/38/87/938243887.db2.gz QXRGAHDWNKZXSC-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP Fc1ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC001560262621 938249813 /nfs/dbraw/zinc/24/98/13/938249813.db2.gz JHBHYQUZYWPCLS-LBPRGKRZSA-N 2 1 288.366 3.146 20 0 CGADMP Fc1ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC001560262621 938249815 /nfs/dbraw/zinc/24/98/15/938249815.db2.gz JHBHYQUZYWPCLS-LBPRGKRZSA-N 2 1 288.366 3.146 20 0 CGADMP COC[C@@H](C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001560298226 938251673 /nfs/dbraw/zinc/25/16/73/938251673.db2.gz XCCGGVQZTZMIMG-INIZCTEOSA-N 2 1 292.467 3.017 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001561053694 938292430 /nfs/dbraw/zinc/29/24/30/938292430.db2.gz YXYFBXAFCBJNAK-GFOCRRMGSA-N 2 1 290.426 3.077 20 0 CGADMP Cc1cccc(F)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222270975 960403838 /nfs/dbraw/zinc/40/38/38/960403838.db2.gz BLDOMWJTUWQYBL-QGZVFWFLSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222270975 960403848 /nfs/dbraw/zinc/40/38/48/960403848.db2.gz BLDOMWJTUWQYBL-QGZVFWFLSA-N 2 1 276.399 3.100 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001576809335 960477470 /nfs/dbraw/zinc/47/74/70/960477470.db2.gz UDGWQPDQAPJBMY-UWVGGRQHSA-N 2 1 292.370 3.184 20 0 CGADMP [NH3+]C[C@]12C[N@@H+](CCC3CCCCC3)C[C@@H]1CCCC2 ZINC001580256100 960487471 /nfs/dbraw/zinc/48/74/71/960487471.db2.gz RCBDDQYNZOZHFJ-DLBZAZTESA-N 2 1 264.457 3.408 20 0 CGADMP C(C[N@H+]1CCSC2(CCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574796163 962322086 /nfs/dbraw/zinc/32/20/86/962322086.db2.gz UZUUNAOENVBOMC-MQVJKMGUSA-N 2 1 294.508 3.269 20 0 CGADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H]([NH3+])C(C)C ZINC001574979593 962345593 /nfs/dbraw/zinc/34/55/93/962345593.db2.gz JVYOWQWNPSYKQJ-BCNIOPEESA-N 2 1 298.377 3.264 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C2C[NH2+]C2)no1 ZINC001575475706 962380333 /nfs/dbraw/zinc/38/03/33/962380333.db2.gz SOVORIPQPXYTAE-GOSISDBHSA-N 2 1 299.418 3.191 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](CCc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC001576596809 962479206 /nfs/dbraw/zinc/47/92/06/962479206.db2.gz BGJWIBFISXIEDY-FRRDWIJNSA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC001576596809 962479218 /nfs/dbraw/zinc/47/92/18/962479218.db2.gz BGJWIBFISXIEDY-FRRDWIJNSA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@]2(C)CC2(Cl)Cl)[C@@H]1CC[NH3+] ZINC001576705546 962483546 /nfs/dbraw/zinc/48/35/46/962483546.db2.gz UMXFKMMCUILNCK-UTUOFQBUSA-N 2 1 279.255 3.020 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC001576648673 962484328 /nfs/dbraw/zinc/48/43/28/962484328.db2.gz ONELUVKHUUDKIU-KSZLIROESA-N 2 1 295.515 3.233 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCC(C)C)c2)CC[C@@H]1[NH3+] ZINC001577279249 962527210 /nfs/dbraw/zinc/52/72/10/962527210.db2.gz AYRDBZJCRVPZAW-AEFFLSMTSA-N 2 1 290.451 3.281 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC001577462849 962546893 /nfs/dbraw/zinc/54/68/93/962546893.db2.gz COFIHKKSHXSNKW-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1C ZINC001577713034 962569557 /nfs/dbraw/zinc/56/95/57/962569557.db2.gz JYZCSVQCBOQWGE-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP COCc1c(C)cc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])c1C ZINC001579090721 962612826 /nfs/dbraw/zinc/61/28/26/962612826.db2.gz RFSLRYKOTNSFPA-UHFFFAOYSA-N 2 1 292.467 3.175 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC001579199478 962614673 /nfs/dbraw/zinc/61/46/73/962614673.db2.gz MCRLXVYZMNEEGG-HUUCEWRRSA-N 2 1 276.424 3.044 20 0 CGADMP CSCc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC001579383289 962624265 /nfs/dbraw/zinc/62/42/65/962624265.db2.gz YDSOKNMFVCEHSB-HNNXBMFYSA-N 2 1 266.454 3.013 20 0 CGADMP Cc1ccc(CC[NH2+][C@]2(C[NH3+])CCCC[C@H]2C)cc1 ZINC001579687301 962655099 /nfs/dbraw/zinc/65/50/99/962655099.db2.gz FKCBAJMQMVMOSJ-WBVHZDCISA-N 2 1 260.425 3.035 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)[nH]c2c1 ZINC001579739833 962663116 /nfs/dbraw/zinc/66/31/16/962663116.db2.gz BQMNKTLLUZSNRB-UKRRQHHQSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc(F)cc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC001579708287 962663628 /nfs/dbraw/zinc/66/36/28/962663628.db2.gz LFKDDCIAVFPYEE-INIZCTEOSA-N 2 1 264.388 3.131 20 0 CGADMP Cc1ncoc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001579888121 962678937 /nfs/dbraw/zinc/67/89/37/962678937.db2.gz OLCOWOTYABYXBA-ZBFHGGJFSA-N 2 1 291.439 3.103 20 0 CGADMP Cc1ccccc1SC[C@H](C)C[N@@H+]1CCC[NH2+]CC1 ZINC001579804360 962682556 /nfs/dbraw/zinc/68/25/56/962682556.db2.gz AWOCQZPBZGGHLT-CQSZACIVSA-N 2 1 278.465 3.019 20 0 CGADMP Cc1ccccc1SC[C@H](C)C[N@H+]1CCC[NH2+]CC1 ZINC001579804360 962682576 /nfs/dbraw/zinc/68/25/76/962682576.db2.gz AWOCQZPBZGGHLT-CQSZACIVSA-N 2 1 278.465 3.019 20 0 CGADMP Cc1scc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1C ZINC001579936899 962682655 /nfs/dbraw/zinc/68/26/55/962682655.db2.gz CYMWXFWXPINNSM-NHYWBVRUSA-N 2 1 266.454 3.314 20 0 CGADMP [NH3+][C@@H](C[NH2+]CCCc1ccc(Cl)cc1)CC(F)(F)F ZINC001580132051 962693215 /nfs/dbraw/zinc/69/32/15/962693215.db2.gz KDCQGJOLORZYAA-GFCCVEGCSA-N 2 1 294.748 3.142 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1CCc3cc(Cl)ccc31)C2 ZINC001580169553 962701117 /nfs/dbraw/zinc/70/11/17/962701117.db2.gz HNPFMDRAASMAIH-CFMVVWHZSA-N 2 1 276.811 3.139 20 0 CGADMP [NH3+]C[C@]12C[N@@H+](CCOC3CCCCCC3)C[C@@H]1CCCC2 ZINC001580254531 962709276 /nfs/dbraw/zinc/70/92/76/962709276.db2.gz DKKAEFGIRLHVPX-FUHWJXTLSA-N 2 1 294.483 3.177 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccccc2C1)C1CCCCC1 ZINC001580228463 962710215 /nfs/dbraw/zinc/71/02/15/962710215.db2.gz BSVHPFAZTCWCPB-RTBURBONSA-N 2 1 286.463 3.431 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001580895392 962740019 /nfs/dbraw/zinc/74/00/19/962740019.db2.gz JFNMDFHLSFGDSO-MAUKXSAKSA-N 2 1 283.419 3.132 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cnn(C2CCCC2)c1 ZINC000337388756 214045324 /nfs/dbraw/zinc/04/53/24/214045324.db2.gz JPWVKNVXVAHYKV-HNNXBMFYSA-N 2 1 290.455 3.135 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000621330000 349497489 /nfs/dbraw/zinc/49/74/89/349497489.db2.gz WDGPQHYAKDQQPY-KBPBESRZSA-N 2 1 278.465 3.417 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000337451049 214088383 /nfs/dbraw/zinc/08/83/83/214088383.db2.gz SWGZPNAKPNABMT-LRDDRELGSA-N 2 1 289.810 3.370 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337465051 214099477 /nfs/dbraw/zinc/09/94/77/214099477.db2.gz RQLGESAZAWIBFY-UHFFFAOYSA-N 2 1 287.382 3.087 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337465051 214099478 /nfs/dbraw/zinc/09/94/78/214099478.db2.gz RQLGESAZAWIBFY-UHFFFAOYSA-N 2 1 287.382 3.087 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000124818694 187155834 /nfs/dbraw/zinc/15/58/34/187155834.db2.gz JLAIFTGRJHQAMH-GOSISDBHSA-N 2 1 283.419 3.289 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000124818694 187155835 /nfs/dbraw/zinc/15/58/35/187155835.db2.gz JLAIFTGRJHQAMH-GOSISDBHSA-N 2 1 283.419 3.289 20 0 CGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc2cnccc2o1 ZINC000651644891 398261886 /nfs/dbraw/zinc/26/18/86/398261886.db2.gz AQZJBZNXSHORGX-HNNXBMFYSA-N 2 1 287.407 3.134 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2cnccc2o1 ZINC000651644891 398261890 /nfs/dbraw/zinc/26/18/90/398261890.db2.gz AQZJBZNXSHORGX-HNNXBMFYSA-N 2 1 287.407 3.134 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2cnccc2o1 ZINC000651644891 398261894 /nfs/dbraw/zinc/26/18/94/398261894.db2.gz AQZJBZNXSHORGX-HNNXBMFYSA-N 2 1 287.407 3.134 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2cnccc2o1 ZINC000651644891 398261898 /nfs/dbraw/zinc/26/18/98/398261898.db2.gz AQZJBZNXSHORGX-HNNXBMFYSA-N 2 1 287.407 3.134 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2cnccc2o1 ZINC000651644891 398261902 /nfs/dbraw/zinc/26/19/02/398261902.db2.gz AQZJBZNXSHORGX-HNNXBMFYSA-N 2 1 287.407 3.134 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cncc(Cl)c1)CC1CCCC1 ZINC000621775486 349585591 /nfs/dbraw/zinc/58/55/91/349585591.db2.gz QCANRMHTXCKRJT-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000651686330 398268974 /nfs/dbraw/zinc/26/89/74/398268974.db2.gz XZLLDUMINXAOEO-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000651686330 398268975 /nfs/dbraw/zinc/26/89/75/398268975.db2.gz XZLLDUMINXAOEO-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000337778764 214257475 /nfs/dbraw/zinc/25/74/75/214257475.db2.gz ZPGOWSYWEYPYDB-LJQANCHMSA-N 2 1 298.430 3.279 20 0 CGADMP Cc1[nH+]ccn1CCCNc1c(C)c[nH+]c2c(C)cccc12 ZINC000337779266 214257418 /nfs/dbraw/zinc/25/74/18/214257418.db2.gz ABNAJAVSCIZRKB-UHFFFAOYSA-N 2 1 294.402 3.281 20 0 CGADMP CCC1(CC)CCC([NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000651715475 398273864 /nfs/dbraw/zinc/27/38/64/398273864.db2.gz NRFDSYNAQQIHCI-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccsc1Cl ZINC000337947976 214327606 /nfs/dbraw/zinc/32/76/06/214327606.db2.gz GMVWEQDTMVSAOF-UHFFFAOYSA-N 2 1 269.801 3.086 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866437 398299152 /nfs/dbraw/zinc/29/91/52/398299152.db2.gz DYYCBHXRMRSMCA-JXMROGBWSA-N 2 1 290.451 3.276 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866437 398299154 /nfs/dbraw/zinc/29/91/54/398299154.db2.gz DYYCBHXRMRSMCA-JXMROGBWSA-N 2 1 290.451 3.276 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1OC ZINC000338016313 214361676 /nfs/dbraw/zinc/36/16/76/214361676.db2.gz KFVKCGXGXMMZOZ-INIZCTEOSA-N 2 1 287.407 3.331 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000423458189 529453340 /nfs/dbraw/zinc/45/33/40/529453340.db2.gz GONJFZYMPYMXPN-BDAKNGLRSA-N 2 1 291.258 3.207 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423457063 529453549 /nfs/dbraw/zinc/45/35/49/529453549.db2.gz FFVFGXZXMJVYDU-JQWIXIFHSA-N 2 1 252.427 3.015 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423456930 529569168 /nfs/dbraw/zinc/56/91/68/529569168.db2.gz DYKRZSNYMOWODQ-CXAGYDPISA-N 2 1 269.392 3.137 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(C)ccc1OC ZINC000425951462 529609448 /nfs/dbraw/zinc/60/94/48/529609448.db2.gz MTKATLOUBZLNCP-ZBFHGGJFSA-N 2 1 278.440 3.242 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000289204939 282210153 /nfs/dbraw/zinc/21/01/53/282210153.db2.gz JYIYNRJIXSKFMH-LRDDRELGSA-N 2 1 255.365 3.030 20 0 CGADMP COc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623342656 349783529 /nfs/dbraw/zinc/78/35/29/349783529.db2.gz GYEQPDIZRXXCFP-TZMCWYRMSA-N 2 1 294.414 3.358 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623342656 349783538 /nfs/dbraw/zinc/78/35/38/349783538.db2.gz GYEQPDIZRXXCFP-TZMCWYRMSA-N 2 1 294.414 3.358 20 0 CGADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccc1Cl ZINC000623362755 349789891 /nfs/dbraw/zinc/78/98/91/349789891.db2.gz INLGUHCOMBMZME-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623364013 349789905 /nfs/dbraw/zinc/78/99/05/349789905.db2.gz PDKMRIUPDMZUCV-DZGCQCFKSA-N 2 1 276.424 3.219 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623364507 349790825 /nfs/dbraw/zinc/79/08/25/349790825.db2.gz APYVFBQQDUEKPD-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC(F)F)cc1 ZINC000423282070 529654342 /nfs/dbraw/zinc/65/43/42/529654342.db2.gz UTTYDGZJKCOIIO-KBPBESRZSA-N 2 1 284.350 3.066 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623375022 349793506 /nfs/dbraw/zinc/79/35/06/349793506.db2.gz ZMFWJWKEACUUGQ-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623429528 349806709 /nfs/dbraw/zinc/80/67/09/349806709.db2.gz HYQLITGVMRWYMH-DZGCQCFKSA-N 2 1 252.446 3.418 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000423501434 529722292 /nfs/dbraw/zinc/72/22/92/529722292.db2.gz DMLJQCCWOBCXBW-FZMZJTMJSA-N 2 1 266.454 3.479 20 0 CGADMP CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126849608 187266125 /nfs/dbraw/zinc/26/61/25/187266125.db2.gz NBKVGOVQFALEKU-UONOGXRCSA-N 2 1 266.454 3.348 20 0 CGADMP CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126849608 187266127 /nfs/dbraw/zinc/26/61/27/187266127.db2.gz NBKVGOVQFALEKU-UONOGXRCSA-N 2 1 266.454 3.348 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@H]12 ZINC000351493080 219103674 /nfs/dbraw/zinc/10/36/74/219103674.db2.gz LTGMPWCJOUHVGQ-GBESFXJTSA-N 2 1 280.415 3.051 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000623657795 349859799 /nfs/dbraw/zinc/85/97/99/349859799.db2.gz ZCUWNBZWIZPQJB-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657743 349859837 /nfs/dbraw/zinc/85/98/37/349859837.db2.gz XUCWGMHBUARBKX-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000623656122 349856808 /nfs/dbraw/zinc/85/68/08/349856808.db2.gz NQJFVHVBLDLAEA-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000623656122 349856810 /nfs/dbraw/zinc/85/68/10/349856810.db2.gz NQJFVHVBLDLAEA-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000623655937 349856813 /nfs/dbraw/zinc/85/68/13/349856813.db2.gz JCNXWXFSLIPPBF-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP COc1cc(C)ccc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623729167 349871912 /nfs/dbraw/zinc/87/19/12/349871912.db2.gz QTJQWWLDRGUVBA-QGZVFWFLSA-N 2 1 288.435 3.110 20 0 CGADMP COc1cc(C)ccc1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000623729167 349871914 /nfs/dbraw/zinc/87/19/14/349871914.db2.gz QTJQWWLDRGUVBA-QGZVFWFLSA-N 2 1 288.435 3.110 20 0 CGADMP C[NH2+]CC[NH2+][C@H](CCc1ccc(Cl)cc1)C(C)C ZINC000423227080 529979130 /nfs/dbraw/zinc/97/91/30/529979130.db2.gz UKUAFYBYFAJJAN-OAHLLOKOSA-N 2 1 268.832 3.106 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000423255765 529986203 /nfs/dbraw/zinc/98/62/03/529986203.db2.gz ASVRBWYSSJBQKU-GHMZBOCLSA-N 2 1 290.329 3.091 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000000280476 530049893 /nfs/dbraw/zinc/04/98/93/530049893.db2.gz ANJYWDLIRGYJQA-UHFFFAOYSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC[C@H]21 ZINC000411323231 530059179 /nfs/dbraw/zinc/05/91/79/530059179.db2.gz JEXMOMUKIVCAFD-BZZMCLGOSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC[C@H]21 ZINC000411323231 530059180 /nfs/dbraw/zinc/05/91/80/530059180.db2.gz JEXMOMUKIVCAFD-BZZMCLGOSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC[C@H]21 ZINC000411323231 530059181 /nfs/dbraw/zinc/05/91/81/530059181.db2.gz JEXMOMUKIVCAFD-BZZMCLGOSA-N 2 1 288.410 3.098 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000038098181 344954735 /nfs/dbraw/zinc/95/47/35/344954735.db2.gz WQVRJEAKUCITOB-AWEZNQCLSA-N 2 1 276.424 3.139 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000038328257 344955647 /nfs/dbraw/zinc/95/56/47/344955647.db2.gz AQUSKRWALVNRRM-LBPRGKRZSA-N 2 1 260.406 3.072 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054240919 345131192 /nfs/dbraw/zinc/13/11/92/345131192.db2.gz DOSLIGNJUOMGBM-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000086256420 345749308 /nfs/dbraw/zinc/74/93/08/345749308.db2.gz FMWDLFUQGHNCBN-YJBOKZPZSA-N 2 1 283.419 3.015 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2ccccc2C)CC1 ZINC000084678417 345738401 /nfs/dbraw/zinc/73/84/01/345738401.db2.gz CPCMSIIHCVYIIF-UHFFFAOYSA-N 2 1 274.452 3.344 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccccc2C)CC1 ZINC000084678417 345738405 /nfs/dbraw/zinc/73/84/05/345738405.db2.gz CPCMSIIHCVYIIF-UHFFFAOYSA-N 2 1 274.452 3.344 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000091346684 345812226 /nfs/dbraw/zinc/81/22/26/345812226.db2.gz OBEAOXJXYPUMTO-KRWDZBQOSA-N 2 1 286.423 3.354 20 0 CGADMP CC(C)[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CC1 ZINC000089595265 345771470 /nfs/dbraw/zinc/77/14/70/345771470.db2.gz MGAGGWRYCJBART-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798187 345793634 /nfs/dbraw/zinc/79/36/34/345793634.db2.gz QAANLHGGJRTAML-HIFRSBDPSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000092043642 345828254 /nfs/dbraw/zinc/82/82/54/345828254.db2.gz ZMULASFDFLGXCF-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000092043642 345828256 /nfs/dbraw/zinc/82/82/56/345828256.db2.gz ZMULASFDFLGXCF-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000092043642 345828259 /nfs/dbraw/zinc/82/82/59/345828259.db2.gz ZMULASFDFLGXCF-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000092043642 345828261 /nfs/dbraw/zinc/82/82/61/345828261.db2.gz ZMULASFDFLGXCF-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP CC(C)[N@H+]1CC[C@H](CNCc2cccc(Cl)c2F)C1 ZINC000125130898 346015512 /nfs/dbraw/zinc/01/55/12/346015512.db2.gz VXBXYPKJCKKROF-GFCCVEGCSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000125130898 346015514 /nfs/dbraw/zinc/01/55/14/346015514.db2.gz VXBXYPKJCKKROF-GFCCVEGCSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000125130898 346015517 /nfs/dbraw/zinc/01/55/17/346015517.db2.gz VXBXYPKJCKKROF-GFCCVEGCSA-N 2 1 284.806 3.299 20 0 CGADMP Cc1sccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351658334 219166290 /nfs/dbraw/zinc/16/62/90/219166290.db2.gz IGHMWZNCLZMYFW-HNNXBMFYSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1sccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351658334 219166293 /nfs/dbraw/zinc/16/62/93/219166293.db2.gz IGHMWZNCLZMYFW-HNNXBMFYSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1sccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000351658334 219166295 /nfs/dbraw/zinc/16/62/95/219166295.db2.gz IGHMWZNCLZMYFW-HNNXBMFYSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1sccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000351658334 219166298 /nfs/dbraw/zinc/16/62/98/219166298.db2.gz IGHMWZNCLZMYFW-HNNXBMFYSA-N 2 1 266.454 3.363 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000158141345 346163800 /nfs/dbraw/zinc/16/38/00/346163800.db2.gz PLDOAJXNIRJYAN-WBMJQRKESA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000158141345 346163803 /nfs/dbraw/zinc/16/38/03/346163803.db2.gz PLDOAJXNIRJYAN-WBMJQRKESA-N 2 1 282.378 3.347 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227550085 346310091 /nfs/dbraw/zinc/31/00/91/346310091.db2.gz FCNYOUWMOYZOPY-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ncccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000237590183 346346066 /nfs/dbraw/zinc/34/60/66/346346066.db2.gz QVCVBVMCTMSTRH-UHFFFAOYSA-N 2 1 295.430 3.144 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000300078282 346435979 /nfs/dbraw/zinc/43/59/79/346435979.db2.gz JCOPIRIGBYFUHA-USXIJHARSA-N 2 1 264.457 3.299 20 0 CGADMP Cc1[nH+]ccc(NC[C@@H]2CC[N@H+](C(C)C)C2)c1Cl ZINC000310943726 346472362 /nfs/dbraw/zinc/47/23/62/346472362.db2.gz XIIHRAFLUUGXIE-LBPRGKRZSA-N 2 1 267.804 3.186 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000378931029 346554342 /nfs/dbraw/zinc/55/43/42/346554342.db2.gz YDMSGMUNFCLPHS-NEWSRXKRSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000351861614 219228812 /nfs/dbraw/zinc/22/88/12/219228812.db2.gz LBRKDRQXLRHQEZ-QWHCGFSZSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000351864685 219230482 /nfs/dbraw/zinc/23/04/82/219230482.db2.gz YXGWXPYASMEXED-KCQAQPDRSA-N 2 1 285.391 3.072 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000351864685 219230484 /nfs/dbraw/zinc/23/04/84/219230484.db2.gz YXGWXPYASMEXED-KCQAQPDRSA-N 2 1 285.391 3.072 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120475 349976678 /nfs/dbraw/zinc/97/66/78/349976678.db2.gz ZYGPQFPGDXDGKX-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCCCC1 ZINC000624120244 349977097 /nfs/dbraw/zinc/97/70/97/349977097.db2.gz UTDWASASFYAJHW-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000624122093 349980188 /nfs/dbraw/zinc/98/01/88/349980188.db2.gz JMHIZLJWJIDTEU-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120726 349979036 /nfs/dbraw/zinc/97/90/36/349979036.db2.gz FSCHEPJNGRMSFZ-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120726 349979039 /nfs/dbraw/zinc/97/90/39/349979039.db2.gz FSCHEPJNGRMSFZ-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121231 349979182 /nfs/dbraw/zinc/97/91/82/349979182.db2.gz QNEGJVCMDXZCPZ-LSDHHAIUSA-N 2 1 280.481 3.391 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122131 349979662 /nfs/dbraw/zinc/97/96/62/349979662.db2.gz KMHHNGCTFATZLI-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000624121657 349979927 /nfs/dbraw/zinc/97/99/27/349979927.db2.gz AJNCRGGPKIFHHM-MJGOQNOKSA-N 2 1 286.463 3.329 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000624123145 349981815 /nfs/dbraw/zinc/98/18/15/349981815.db2.gz GNHOMJQOENPFAN-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP CC(C[NH+]1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000605574338 348162553 /nfs/dbraw/zinc/16/25/53/348162553.db2.gz MSAWJKIOGPYTKF-QZTJIDSGSA-N 2 1 276.468 3.371 20 0 CGADMP C[N@@H+](CCCCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000339406452 215149779 /nfs/dbraw/zinc/14/97/79/215149779.db2.gz IEZHVRJUOGKZCS-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000339406379 215150467 /nfs/dbraw/zinc/15/04/67/215150467.db2.gz GKQPFAFKKKBKDE-GFCCVEGCSA-N 2 1 287.234 3.349 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000339406379 215150470 /nfs/dbraw/zinc/15/04/70/215150470.db2.gz GKQPFAFKKKBKDE-GFCCVEGCSA-N 2 1 287.234 3.349 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cs1 ZINC000624123234 349982904 /nfs/dbraw/zinc/98/29/04/349982904.db2.gz IHQSVDGZAAKHKE-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000128790305 187390889 /nfs/dbraw/zinc/39/08/89/187390889.db2.gz UVVBPZGZLPXNKE-UHFFFAOYSA-N 2 1 278.827 3.365 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000608507955 348316300 /nfs/dbraw/zinc/31/63/00/348316300.db2.gz VYIGTXHOOXRABL-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000608507955 348316304 /nfs/dbraw/zinc/31/63/04/348316304.db2.gz VYIGTXHOOXRABL-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339439470 215174028 /nfs/dbraw/zinc/17/40/28/215174028.db2.gz KIQDYRSLXMLRQU-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339439470 215174031 /nfs/dbraw/zinc/17/40/31/215174031.db2.gz KIQDYRSLXMLRQU-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339439470 215174034 /nfs/dbraw/zinc/17/40/34/215174034.db2.gz KIQDYRSLXMLRQU-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)o1 ZINC000273354446 192122944 /nfs/dbraw/zinc/12/29/44/192122944.db2.gz ZHBGJJIKRRDCHT-LBPRGKRZSA-N 2 1 261.369 3.142 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)o1 ZINC000273354443 192123846 /nfs/dbraw/zinc/12/38/46/192123846.db2.gz ZHBGJJIKRRDCHT-GFCCVEGCSA-N 2 1 261.369 3.142 20 0 CGADMP CC(C)CC[NH+](C)C/C=C/C[N@H+](C)CCC(C)C ZINC000613877634 348637036 /nfs/dbraw/zinc/63/70/36/348637036.db2.gz CVUKDCASFXUCMF-BQYQJAHWSA-N 2 1 254.462 3.498 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CCC(C)(C)C2CC2)s1 ZINC000339568456 215248771 /nfs/dbraw/zinc/24/87/71/215248771.db2.gz OIYCCHMVGJVEBP-UHFFFAOYSA-N 2 1 281.469 3.121 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000271208091 191000832 /nfs/dbraw/zinc/00/08/32/191000832.db2.gz GVLUQXDTMDBRHI-AWEZNQCLSA-N 2 1 276.424 3.004 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000271208091 191000834 /nfs/dbraw/zinc/00/08/34/191000834.db2.gz GVLUQXDTMDBRHI-AWEZNQCLSA-N 2 1 276.424 3.004 20 0 CGADMP Cc1ccc(CN2CCC3(CCC[N@@H+]3C)CC2)cc1F ZINC000625288671 350153536 /nfs/dbraw/zinc/15/35/36/350153536.db2.gz QVLMOVOTKJCFHW-UHFFFAOYSA-N 2 1 276.399 3.194 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000626164260 350276134 /nfs/dbraw/zinc/27/61/34/350276134.db2.gz ZSEJYGUCYZJHHK-QDLOVBKTSA-N 2 1 261.413 3.260 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000626164260 350276139 /nfs/dbraw/zinc/27/61/39/350276139.db2.gz ZSEJYGUCYZJHHK-QDLOVBKTSA-N 2 1 261.413 3.260 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000628140819 350409027 /nfs/dbraw/zinc/40/90/27/350409027.db2.gz YYLTZJZGGYMSDY-SJORKVTESA-N 2 1 274.452 3.372 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000628140819 350409031 /nfs/dbraw/zinc/40/90/31/350409031.db2.gz YYLTZJZGGYMSDY-SJORKVTESA-N 2 1 274.452 3.372 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000628140819 350409035 /nfs/dbraw/zinc/40/90/35/350409035.db2.gz YYLTZJZGGYMSDY-SJORKVTESA-N 2 1 274.452 3.372 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190501 350432249 /nfs/dbraw/zinc/43/22/49/350432249.db2.gz IDVRXTBPZOMERR-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190501 350432252 /nfs/dbraw/zinc/43/22/52/350432252.db2.gz IDVRXTBPZOMERR-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190501 350432254 /nfs/dbraw/zinc/43/22/54/350432254.db2.gz IDVRXTBPZOMERR-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1Cl ZINC000628280707 350476790 /nfs/dbraw/zinc/47/67/90/350476790.db2.gz CVJBAICPCHJQSW-IUODEOHRSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1Cl ZINC000628280707 350476792 /nfs/dbraw/zinc/47/67/92/350476792.db2.gz CVJBAICPCHJQSW-IUODEOHRSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000628280707 350476794 /nfs/dbraw/zinc/47/67/94/350476794.db2.gz CVJBAICPCHJQSW-IUODEOHRSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000628280707 350476796 /nfs/dbraw/zinc/47/67/96/350476796.db2.gz CVJBAICPCHJQSW-IUODEOHRSA-N 2 1 296.842 3.121 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425884 350536874 /nfs/dbraw/zinc/53/68/74/350536874.db2.gz YKKXTEUQBRZMCC-KBPBESRZSA-N 2 1 296.405 3.390 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000629526828 350702423 /nfs/dbraw/zinc/70/24/23/350702423.db2.gz APIITRYDGWUWJJ-FJIDUMEYSA-N 2 1 272.436 3.227 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000629528101 350702949 /nfs/dbraw/zinc/70/29/49/350702949.db2.gz PGHDXCXPSOFZSQ-GOEBONIOSA-N 2 1 289.467 3.327 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537726 350705919 /nfs/dbraw/zinc/70/59/19/350705919.db2.gz KPKLWEXRUGJMQU-XOKHGSTOSA-N 2 1 278.415 3.123 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000629547859 350710116 /nfs/dbraw/zinc/71/01/16/350710116.db2.gz VRBYBFFSCUCUOM-DDUYRFODSA-N 2 1 278.827 3.316 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000629389425 350687561 /nfs/dbraw/zinc/68/75/61/350687561.db2.gz XQAYCTGEJKIEEV-MWDXBVQZSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396379 350688486 /nfs/dbraw/zinc/68/84/86/350688486.db2.gz LJKCZBVTAXSRCR-XUJVJEKNSA-N 2 1 266.816 3.001 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629653745 350731413 /nfs/dbraw/zinc/73/14/13/350731413.db2.gz GADLTRHLZXKRKW-JBLNNTITSA-N 2 1 298.352 3.159 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629653745 350731414 /nfs/dbraw/zinc/73/14/14/350731414.db2.gz GADLTRHLZXKRKW-JBLNNTITSA-N 2 1 298.352 3.159 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000629673757 350734646 /nfs/dbraw/zinc/73/46/46/350734646.db2.gz HCNSSIZUWQARIW-ZZFUDSBHSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631034972 350932279 /nfs/dbraw/zinc/93/22/79/350932279.db2.gz HANTVIWXZSQCNK-ZDUSSCGKSA-N 2 1 297.393 3.373 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631034972 350932280 /nfs/dbraw/zinc/93/22/80/350932280.db2.gz HANTVIWXZSQCNK-ZDUSSCGKSA-N 2 1 297.393 3.373 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000631189267 350983828 /nfs/dbraw/zinc/98/38/28/350983828.db2.gz RFJMEYIDKYOJAB-HOCLYGCPSA-N 2 1 278.415 3.377 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)F)CC[N@H+]1Cc1ccccc1 ZINC000631189267 350983830 /nfs/dbraw/zinc/98/38/30/350983830.db2.gz RFJMEYIDKYOJAB-HOCLYGCPSA-N 2 1 278.415 3.377 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3cccnc3c2)CC1(C)C ZINC000631206275 350991496 /nfs/dbraw/zinc/99/14/96/350991496.db2.gz FWQVXXIKGAZPHG-INIZCTEOSA-N 2 1 283.419 3.197 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC000631078367 350946235 /nfs/dbraw/zinc/94/62/35/350946235.db2.gz AUPZVIQJSXGIKH-MQVJKMGUSA-N 2 1 276.399 3.239 20 0 CGADMP CC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631662930 351109445 /nfs/dbraw/zinc/10/94/45/351109445.db2.gz GVLQTEAOZXFUMV-AUCMRZJMSA-N 2 1 272.436 3.143 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631891057 351153337 /nfs/dbraw/zinc/15/33/37/351153337.db2.gz VRFXBZAAHQBVNR-ZIFCJYIRSA-N 2 1 284.447 3.180 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000634678410 351563449 /nfs/dbraw/zinc/56/34/49/351563449.db2.gz SBYAUSFKCSGTNR-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000634678358 351563797 /nfs/dbraw/zinc/56/37/97/351563797.db2.gz QEVHKHFLHJQQPG-SJORKVTESA-N 2 1 296.499 3.290 20 0 CGADMP Cc1cc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc2cccnc12 ZINC000634997484 351620499 /nfs/dbraw/zinc/62/04/99/351620499.db2.gz MDFHYSWEYGBLQU-KRWDZBQOSA-N 2 1 283.419 3.247 20 0 CGADMP Cc1cc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc2cccnc12 ZINC000634997484 351620504 /nfs/dbraw/zinc/62/05/04/351620504.db2.gz MDFHYSWEYGBLQU-KRWDZBQOSA-N 2 1 283.419 3.247 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1F ZINC000635011657 351629383 /nfs/dbraw/zinc/62/93/83/351629383.db2.gz ONVNQHQZSWZNCT-DGCLKSJQSA-N 2 1 282.378 3.394 20 0 CGADMP CC(C[NH+]1[C@H](C)CC[C@@H]1C)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123391951 187088671 /nfs/dbraw/zinc/08/86/71/187088671.db2.gz FWDSHMKXJVAMFU-GEEKYZPCSA-N 2 1 252.446 3.368 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000271491557 191171427 /nfs/dbraw/zinc/17/14/27/191171427.db2.gz UNRCZOOHANZIBO-ZOBUZTSGSA-N 2 1 289.467 3.409 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000367699659 234243080 /nfs/dbraw/zinc/24/30/80/234243080.db2.gz IFGSWHLUCUXGEG-CQSZACIVSA-N 2 1 295.386 3.464 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000152437931 188018582 /nfs/dbraw/zinc/01/85/82/188018582.db2.gz VMMJQDNUKJNBQX-PXAZEXFGSA-N 2 1 294.389 3.490 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000152437931 188018584 /nfs/dbraw/zinc/01/85/84/188018584.db2.gz VMMJQDNUKJNBQX-PXAZEXFGSA-N 2 1 294.389 3.490 20 0 CGADMP CC[N@H+]1CC[C@@H](NCc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000155164861 188187975 /nfs/dbraw/zinc/18/79/75/188187975.db2.gz AATJCPLYNMFJOW-IAQYHMDHSA-N 2 1 284.806 3.299 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000155164861 188187978 /nfs/dbraw/zinc/18/79/78/188187978.db2.gz AATJCPLYNMFJOW-IAQYHMDHSA-N 2 1 284.806 3.299 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000155164751 188187993 /nfs/dbraw/zinc/18/79/93/188187993.db2.gz AATJCPLYNMFJOW-ABAIWWIYSA-N 2 1 284.806 3.299 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000155164751 188187995 /nfs/dbraw/zinc/18/79/95/188187995.db2.gz AATJCPLYNMFJOW-ABAIWWIYSA-N 2 1 284.806 3.299 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000156287196 188253550 /nfs/dbraw/zinc/25/35/50/188253550.db2.gz HFVDUPDQEWJNIB-SLEUVZQESA-N 2 1 266.454 3.129 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000156319218 188255211 /nfs/dbraw/zinc/25/52/11/188255211.db2.gz DZAUXWPRDCIICH-GOEBONIOSA-N 2 1 285.435 3.173 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000156818838 188283505 /nfs/dbraw/zinc/28/35/05/188283505.db2.gz NGJVJOYACUGXJP-JMSVASOKSA-N 2 1 296.842 3.167 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000156818838 188283507 /nfs/dbraw/zinc/28/35/07/188283507.db2.gz NGJVJOYACUGXJP-JMSVASOKSA-N 2 1 296.842 3.167 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000414201171 235362790 /nfs/dbraw/zinc/36/27/90/235362790.db2.gz YFQKULXRBOROJM-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2s1 ZINC000336350156 213198892 /nfs/dbraw/zinc/19/88/92/213198892.db2.gz IUJOYVYYLOPMSX-SMDDNHRTSA-N 2 1 289.448 3.177 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000273726135 192280842 /nfs/dbraw/zinc/28/08/42/192280842.db2.gz JIUMOIHQXSSIHZ-UHFFFAOYSA-N 2 1 281.403 3.183 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419343288 235694733 /nfs/dbraw/zinc/69/47/33/235694733.db2.gz QPONCPJFJQRAJD-ZDUSSCGKSA-N 2 1 269.392 3.420 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1C ZINC000352713246 219582076 /nfs/dbraw/zinc/58/20/76/219582076.db2.gz RKSPAFVYIHNULU-MGPQQGTHSA-N 2 1 295.496 3.367 20 0 CGADMP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC000093692687 138348226 /nfs/dbraw/zinc/34/82/26/138348226.db2.gz LHOXFUOFUGRZHV-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC000093692687 138348227 /nfs/dbraw/zinc/34/82/27/138348227.db2.gz LHOXFUOFUGRZHV-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000336321714 213166150 /nfs/dbraw/zinc/16/61/50/213166150.db2.gz YCYANIGLMYHBCJ-INIZCTEOSA-N 2 1 280.362 3.200 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000124375545 138374681 /nfs/dbraw/zinc/37/46/81/138374681.db2.gz SJUOJRNEAQCJCK-GJZGRUSLSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000124375545 138374682 /nfs/dbraw/zinc/37/46/82/138374682.db2.gz SJUOJRNEAQCJCK-GJZGRUSLSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC(C)(C)CC1 ZINC000124411495 138375390 /nfs/dbraw/zinc/37/53/90/138375390.db2.gz MLFOHIBXTRMAMF-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC(C)(C)CC1 ZINC000124411495 138375391 /nfs/dbraw/zinc/37/53/91/138375391.db2.gz MLFOHIBXTRMAMF-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000124718197 138377646 /nfs/dbraw/zinc/37/76/46/138377646.db2.gz TVMFIAGQLZBURT-AWEZNQCLSA-N 2 1 257.381 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000124718197 138377647 /nfs/dbraw/zinc/37/76/47/138377647.db2.gz TVMFIAGQLZBURT-AWEZNQCLSA-N 2 1 257.381 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000124718197 138377648 /nfs/dbraw/zinc/37/76/48/138377648.db2.gz TVMFIAGQLZBURT-AWEZNQCLSA-N 2 1 257.381 3.275 20 0 CGADMP Cc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)s1 ZINC000126647997 138386591 /nfs/dbraw/zinc/38/65/91/138386591.db2.gz WUAJYMMZOQACOO-AWEZNQCLSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)s1 ZINC000126647997 138386592 /nfs/dbraw/zinc/38/65/92/138386592.db2.gz WUAJYMMZOQACOO-AWEZNQCLSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000126647997 138386593 /nfs/dbraw/zinc/38/65/93/138386593.db2.gz WUAJYMMZOQACOO-AWEZNQCLSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000126647997 138386594 /nfs/dbraw/zinc/38/65/94/138386594.db2.gz WUAJYMMZOQACOO-AWEZNQCLSA-N 2 1 266.454 3.363 20 0 CGADMP CO[C@]1(C)C[C@H]([N@@H+](C)CCCCn2ccnc2C)C1(C)C ZINC000124789413 138378244 /nfs/dbraw/zinc/37/82/44/138378244.db2.gz GZCKTHKURNFTTM-DOTOQJQBSA-N 2 1 293.455 3.107 20 0 CGADMP CO[C@]1(C)C[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124789413 138378245 /nfs/dbraw/zinc/37/82/45/138378245.db2.gz GZCKTHKURNFTTM-DOTOQJQBSA-N 2 1 293.455 3.107 20 0 CGADMP CO[C@]1(C)C[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124789413 138378246 /nfs/dbraw/zinc/37/82/46/138378246.db2.gz GZCKTHKURNFTTM-DOTOQJQBSA-N 2 1 293.455 3.107 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC000126896676 138387122 /nfs/dbraw/zinc/38/71/22/138387122.db2.gz AHJFGKBDXHIQDY-LBPRGKRZSA-N 2 1 261.344 3.191 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000127722115 138390051 /nfs/dbraw/zinc/39/00/51/138390051.db2.gz ASMUUCQCHMFIRZ-YJBOKZPZSA-N 2 1 295.430 3.178 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000130243816 138399783 /nfs/dbraw/zinc/39/97/83/138399783.db2.gz FJSCTWOSULVFLI-BHYGNILZSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000422749356 235912224 /nfs/dbraw/zinc/91/22/24/235912224.db2.gz YTNUVPCLXDRLMQ-SRVKXCTJSA-N 2 1 268.351 3.004 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)CC[N@H+]1C ZINC000245567044 297287773 /nfs/dbraw/zinc/28/77/73/297287773.db2.gz RRCUDTPIVJYCFQ-INWMFGNUSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)CC[N@@H+]1C ZINC000245567044 297287772 /nfs/dbraw/zinc/28/77/72/297287772.db2.gz RRCUDTPIVJYCFQ-INWMFGNUSA-N 2 1 292.398 3.112 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423199633 235993881 /nfs/dbraw/zinc/99/38/81/235993881.db2.gz KFYUQUIUWLWUFE-AWEZNQCLSA-N 2 1 276.424 3.398 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000423310407 236033776 /nfs/dbraw/zinc/03/37/76/236033776.db2.gz AIWOGZYSISPEMY-IRXDYDNUSA-N 2 1 276.399 3.384 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(-c2ccccc2)c1 ZINC000423326852 236039712 /nfs/dbraw/zinc/03/97/12/236039712.db2.gz NADKGQSBPYKHHW-ZIAGYGMSSA-N 2 1 254.377 3.351 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000423388170 236059433 /nfs/dbraw/zinc/05/94/33/236059433.db2.gz NDZDOWALYIRBKT-KZNAEPCWSA-N 2 1 299.393 3.170 20 0 CGADMP COC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423350545 236047271 /nfs/dbraw/zinc/04/72/71/236047271.db2.gz XTJRMCSOKMZIDY-HZPDHXFCSA-N 2 1 296.842 3.007 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423369304 236052474 /nfs/dbraw/zinc/05/24/74/236052474.db2.gz OFGCOSMEQXMGHC-GJZGRUSLSA-N 2 1 268.404 3.144 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423380358 236055987 /nfs/dbraw/zinc/05/59/87/236055987.db2.gz YLXZFHNHAZWOCU-IINYFYTJSA-N 2 1 252.789 3.118 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423452051 236073992 /nfs/dbraw/zinc/07/39/92/236073992.db2.gz VVUHMFHANVBRLD-DCAQKATOSA-N 2 1 252.427 3.013 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])sc1Br ZINC000423455852 236075298 /nfs/dbraw/zinc/07/52/98/236075298.db2.gz DASYFDASPUAVFW-YIZRAAEISA-N 2 1 291.258 3.205 20 0 CGADMP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423548624 236097354 /nfs/dbraw/zinc/09/73/54/236097354.db2.gz GXNXQILIMZFAJR-HNNXBMFYSA-N 2 1 294.826 3.285 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(F)cc(C)cc1F ZINC000424145521 236124223 /nfs/dbraw/zinc/12/42/23/236124223.db2.gz NVAQLRZKXYPGRE-UHFFFAOYSA-N 2 1 293.361 3.348 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC45CC5)[C@H]3C2)cc1 ZINC000424326831 236150333 /nfs/dbraw/zinc/15/03/33/236150333.db2.gz PIYSOCRNJPVFFE-XLAORIBOSA-N 2 1 282.431 3.039 20 0 CGADMP C[C@@H]([N@@H+](C)CCOCC[NH+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000343747465 296012992 /nfs/dbraw/zinc/01/29/92/296012992.db2.gz VJRUDJONFVWTIP-IYBDPMFKSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@@H]([NH+](C)CCOCC[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000343747465 296012993 /nfs/dbraw/zinc/01/29/93/296012993.db2.gz VJRUDJONFVWTIP-IYBDPMFKSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@@H]([NH+](C)CCOCC[N@@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000343747465 296012995 /nfs/dbraw/zinc/01/29/95/296012995.db2.gz VJRUDJONFVWTIP-IYBDPMFKSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOCC2CC2)cc1 ZINC000178009755 189085352 /nfs/dbraw/zinc/08/53/52/189085352.db2.gz OMUVZZCGNHUCRZ-CQSZACIVSA-N 2 1 299.418 3.258 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC000178703315 189138893 /nfs/dbraw/zinc/13/88/93/189138893.db2.gz IIBQIYZUHFPBFK-ZFWWWQNUSA-N 2 1 271.408 3.487 20 0 CGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000180460699 189256348 /nfs/dbraw/zinc/25/63/48/189256348.db2.gz BMPPMKCLXICGSG-HOCLYGCPSA-N 2 1 290.451 3.045 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Cl ZINC000180974450 189285387 /nfs/dbraw/zinc/28/53/87/189285387.db2.gz KQMXWSLFKZBXGK-OCCSQVGLSA-N 2 1 266.816 3.221 20 0 CGADMP c1ccc(C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000119647268 370694154 /nfs/dbraw/zinc/69/41/54/370694154.db2.gz UHHMDXCPUFRQER-IBGZPJMESA-N 2 1 284.447 3.224 20 0 CGADMP Cc1cc[nH+]c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000301666688 201123392 /nfs/dbraw/zinc/12/33/92/201123392.db2.gz WZHLRGFGZQMRSY-SFHVURJKSA-N 2 1 295.430 3.348 20 0 CGADMP Cc1cc[nH+]c(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000301666688 201123394 /nfs/dbraw/zinc/12/33/94/201123394.db2.gz WZHLRGFGZQMRSY-SFHVURJKSA-N 2 1 295.430 3.348 20 0 CGADMP COc1cccc2c(NC[C@@H](C3CC3)[NH+](C)C)cc(C)[nH+]c12 ZINC000301981706 201287340 /nfs/dbraw/zinc/28/73/40/201287340.db2.gz JEDZJVPFRYLBLG-INIZCTEOSA-N 2 1 299.418 3.304 20 0 CGADMP Cc1cccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449051960 239144917 /nfs/dbraw/zinc/14/49/17/239144917.db2.gz YKOWEGMIYZAFHL-ICSRJNTNSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC12CCC2 ZINC000449069934 239156638 /nfs/dbraw/zinc/15/66/38/239156638.db2.gz AZCFKYDWUFHGBF-HIFRSBDPSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000449084189 239165301 /nfs/dbraw/zinc/16/53/01/239165301.db2.gz WUASSODQPNQHSC-RHSMWYFYSA-N 2 1 278.440 3.311 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]CCn1cc[nH+]c1C ZINC000449104890 239182458 /nfs/dbraw/zinc/18/24/58/239182458.db2.gz BSQQGAJMUMJHHM-UHFFFAOYSA-N 2 1 295.386 3.143 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449171908 239221714 /nfs/dbraw/zinc/22/17/14/239221714.db2.gz LFBVUZZLDONGKV-FMKPAKJESA-N 2 1 286.419 3.436 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449171908 239221717 /nfs/dbraw/zinc/22/17/17/239221717.db2.gz LFBVUZZLDONGKV-FMKPAKJESA-N 2 1 286.419 3.436 20 0 CGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000449301173 239301583 /nfs/dbraw/zinc/30/15/83/239301583.db2.gz REBNGKKEBBBMBA-VNQPRFMTSA-N 2 1 282.497 3.125 20 0 CGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000449301173 239301589 /nfs/dbraw/zinc/30/15/89/239301589.db2.gz REBNGKKEBBBMBA-VNQPRFMTSA-N 2 1 282.497 3.125 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000120511535 370776034 /nfs/dbraw/zinc/77/60/34/370776034.db2.gz FLPFIKSVYYIZOP-CKEIUWERSA-N 2 1 283.419 3.053 20 0 CGADMP Cc1nccn1CC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000451187938 240240975 /nfs/dbraw/zinc/24/09/75/240240975.db2.gz PYTRUJOCELPTMG-IIDMSEBBSA-N 2 1 283.419 3.458 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000335568180 212279002 /nfs/dbraw/zinc/27/90/02/212279002.db2.gz OUNFUWVRZVPVOE-SECBINFHSA-N 2 1 273.207 3.396 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275486405 193055179 /nfs/dbraw/zinc/05/51/79/193055179.db2.gz IRZMIMFLOKZGRB-QZTJIDSGSA-N 2 1 297.446 3.447 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccnc1Cl ZINC000121445752 370860907 /nfs/dbraw/zinc/86/09/07/370860907.db2.gz LMHIZEJYWFKEBE-NWDGAFQWSA-N 2 1 292.814 3.227 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000459361310 242087324 /nfs/dbraw/zinc/08/73/24/242087324.db2.gz GESLBBMHWHXBNE-DSLXNQLJSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000459361310 242087330 /nfs/dbraw/zinc/08/73/30/242087330.db2.gz GESLBBMHWHXBNE-DSLXNQLJSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000459361310 242087334 /nfs/dbraw/zinc/08/73/34/242087334.db2.gz GESLBBMHWHXBNE-DSLXNQLJSA-N 2 1 286.463 3.452 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000459394364 242097670 /nfs/dbraw/zinc/09/76/70/242097670.db2.gz SWNLNXYIFIWIGR-CYBMUJFWSA-N 2 1 291.826 3.313 20 0 CGADMP CCCOc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459722838 242191898 /nfs/dbraw/zinc/19/18/98/242191898.db2.gz CCELZYYBVBPMLM-INIZCTEOSA-N 2 1 290.451 3.297 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459799178 242239524 /nfs/dbraw/zinc/23/95/24/242239524.db2.gz YNXBCYVZSBGPEO-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000459767146 242221355 /nfs/dbraw/zinc/22/13/55/242221355.db2.gz PNHXEKVOAZKJQW-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000459767146 242221357 /nfs/dbraw/zinc/22/13/57/242221357.db2.gz PNHXEKVOAZKJQW-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000459767146 242221360 /nfs/dbraw/zinc/22/13/60/242221360.db2.gz PNHXEKVOAZKJQW-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000459780904 242230445 /nfs/dbraw/zinc/23/04/45/242230445.db2.gz LUCUTPJKLDWGGE-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP CC(C)c1cnc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459796071 242237832 /nfs/dbraw/zinc/23/78/32/242237832.db2.gz WBELKVSLXKISLK-ZDUSSCGKSA-N 2 1 281.469 3.088 20 0 CGADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000462807216 242365219 /nfs/dbraw/zinc/36/52/19/242365219.db2.gz ZBTSMEYDWDVGQY-XJKSGUPXSA-N 2 1 280.843 3.121 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000121457743 370862794 /nfs/dbraw/zinc/86/27/94/370862794.db2.gz KNYGVAFAVTVXDY-KBPBESRZSA-N 2 1 275.396 3.032 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000479694851 243120793 /nfs/dbraw/zinc/12/07/93/243120793.db2.gz QOZMAHODDZWVPH-YJBOKZPZSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000479697177 243120943 /nfs/dbraw/zinc/12/09/43/243120943.db2.gz ZBQQUEKQYOJHHP-RHSMWYFYSA-N 2 1 290.426 3.393 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000483735317 243295691 /nfs/dbraw/zinc/29/56/91/243295691.db2.gz QKDLJXHITJKJLL-SNRMKQJTSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000483735317 243295697 /nfs/dbraw/zinc/29/56/97/243295697.db2.gz QKDLJXHITJKJLL-SNRMKQJTSA-N 2 1 286.463 3.388 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000484917727 243322856 /nfs/dbraw/zinc/32/28/56/243322856.db2.gz PZSXCNOJWNJIOF-CRAIPNDOSA-N 2 1 282.431 3.442 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C[C@H]2CCSC2)C1 ZINC000486983533 243389805 /nfs/dbraw/zinc/38/98/05/243389805.db2.gz WJOKHXUZHNMSNH-QLFBSQMISA-N 2 1 284.513 3.086 20 0 CGADMP C[N@H+]1CCC[C@@H]1CCN(CCC(F)(F)F)CC1CC1 ZINC000125166701 370931130 /nfs/dbraw/zinc/93/11/30/370931130.db2.gz UGHFZDTXAJKKHU-CYBMUJFWSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CCC(F)(F)F)CC1CC1 ZINC000125166701 370931135 /nfs/dbraw/zinc/93/11/35/370931135.db2.gz UGHFZDTXAJKKHU-CYBMUJFWSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCC(F)(F)F)CC1CC1 ZINC000125166701 370931142 /nfs/dbraw/zinc/93/11/42/370931142.db2.gz UGHFZDTXAJKKHU-CYBMUJFWSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000125166701 370931145 /nfs/dbraw/zinc/93/11/45/370931145.db2.gz UGHFZDTXAJKKHU-CYBMUJFWSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000125166701 370931148 /nfs/dbraw/zinc/93/11/48/370931148.db2.gz UGHFZDTXAJKKHU-CYBMUJFWSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCC[C@H]1CCN1CCSC2(CCCCC2)C1 ZINC000125134690 370931184 /nfs/dbraw/zinc/93/11/84/370931184.db2.gz PLCQNDBNSXKVMO-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC2(CCCCC2)C1 ZINC000125134690 370931188 /nfs/dbraw/zinc/93/11/88/370931188.db2.gz PLCQNDBNSXKVMO-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC2(CCCCC2)C1 ZINC000125134690 370931192 /nfs/dbraw/zinc/93/11/92/370931192.db2.gz PLCQNDBNSXKVMO-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000125134690 370931197 /nfs/dbraw/zinc/93/11/97/370931197.db2.gz PLCQNDBNSXKVMO-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000125134690 370931200 /nfs/dbraw/zinc/93/12/00/370931200.db2.gz PLCQNDBNSXKVMO-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000125312239 370934155 /nfs/dbraw/zinc/93/41/55/370934155.db2.gz ODKDICCEJNOGKV-UHFFFAOYSA-N 2 1 272.392 3.395 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000019850924 368774281 /nfs/dbraw/zinc/77/42/81/368774281.db2.gz XJCRZZCVKVXMJX-GOSISDBHSA-N 2 1 283.419 3.461 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000019850924 368774287 /nfs/dbraw/zinc/77/42/87/368774287.db2.gz XJCRZZCVKVXMJX-GOSISDBHSA-N 2 1 283.419 3.461 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000019850927 368774376 /nfs/dbraw/zinc/77/43/76/368774376.db2.gz XJCRZZCVKVXMJX-SFHVURJKSA-N 2 1 283.419 3.461 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000019850927 368774382 /nfs/dbraw/zinc/77/43/82/368774382.db2.gz XJCRZZCVKVXMJX-SFHVURJKSA-N 2 1 283.419 3.461 20 0 CGADMP Cc1ccccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000019912879 368782117 /nfs/dbraw/zinc/78/21/17/368782117.db2.gz XKKGAGSGZOUSJA-INIZCTEOSA-N 2 1 260.425 3.349 20 0 CGADMP CC[N@H+]1CCC[C@H]1CNc1cc(C)[nH+]c2ccccc12 ZINC000035206395 369000281 /nfs/dbraw/zinc/00/02/81/369000281.db2.gz XYRQOBJALHQOJP-AWEZNQCLSA-N 2 1 269.392 3.439 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000037141070 369067970 /nfs/dbraw/zinc/06/79/70/369067970.db2.gz NTUKMKJZPLYINT-GFCCVEGCSA-N 2 1 262.372 3.103 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649162 369094211 /nfs/dbraw/zinc/09/42/11/369094211.db2.gz TVKMVNGKZIYISZ-WMLDXEAASA-N 2 1 258.409 3.212 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cl ZINC000037649496 369097197 /nfs/dbraw/zinc/09/71/97/369097197.db2.gz ZOYRZMCDADASRK-STQMWFEESA-N 2 1 278.827 3.475 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cl ZINC000037649496 369097202 /nfs/dbraw/zinc/09/72/02/369097202.db2.gz ZOYRZMCDADASRK-STQMWFEESA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000037934924 369126250 /nfs/dbraw/zinc/12/62/50/369126250.db2.gz YHRVNODZLDJQBE-BFYDXBDKSA-N 2 1 274.452 3.283 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000494504705 244293219 /nfs/dbraw/zinc/29/32/19/244293219.db2.gz ARYVUFWHLMSRLG-RDJZCZTQSA-N 2 1 290.451 3.002 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000394505355 261189754 /nfs/dbraw/zinc/18/97/54/261189754.db2.gz FTBBNJVBUABXMR-DQIHPLBOSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000062018059 369614847 /nfs/dbraw/zinc/61/48/47/369614847.db2.gz XFOSNRLQPYKEDM-LLVKDONJSA-N 2 1 254.805 3.318 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000062018059 369614850 /nfs/dbraw/zinc/61/48/50/369614850.db2.gz XFOSNRLQPYKEDM-LLVKDONJSA-N 2 1 254.805 3.318 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccccc1F)C[NH+]1CCCC1 ZINC000062077940 369617970 /nfs/dbraw/zinc/61/79/70/369617970.db2.gz JGWFOOVJEJHCOX-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP FC(F)(F)C1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000068635168 369745560 /nfs/dbraw/zinc/74/55/60/369745560.db2.gz QRCAKAMCIWQCKT-HIFPTAJRSA-N 2 1 290.373 3.181 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000070171764 369786421 /nfs/dbraw/zinc/78/64/21/369786421.db2.gz BVURVCWMNAWNMW-INMHGKMJSA-N 2 1 260.425 3.239 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000092043382 370089271 /nfs/dbraw/zinc/08/92/71/370089271.db2.gz XIKSOJAJOUITGD-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000092043382 370089273 /nfs/dbraw/zinc/08/92/73/370089273.db2.gz XIKSOJAJOUITGD-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000092043382 370089275 /nfs/dbraw/zinc/08/92/75/370089275.db2.gz XIKSOJAJOUITGD-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(C)ccc1OC ZINC000093399174 370121316 /nfs/dbraw/zinc/12/13/16/370121316.db2.gz KOOARLQPIYCFPJ-NVXWUHKLSA-N 2 1 290.451 3.386 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000513698298 245092573 /nfs/dbraw/zinc/09/25/73/245092573.db2.gz YWOMYCVSAQOTBQ-ULQDDVLXSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000343981984 217003643 /nfs/dbraw/zinc/00/36/43/217003643.db2.gz KIHPJXVBOCFGSD-LSDHHAIUSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000343981984 217003645 /nfs/dbraw/zinc/00/36/45/217003645.db2.gz KIHPJXVBOCFGSD-LSDHHAIUSA-N 2 1 270.461 3.044 20 0 CGADMP Cc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000116379578 370558462 /nfs/dbraw/zinc/55/84/62/370558462.db2.gz DQKKHPMEPRBDDR-CQSZACIVSA-N 2 1 252.402 3.044 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000116385159 370559613 /nfs/dbraw/zinc/55/96/13/370559613.db2.gz XVWNPSDMIOSEGO-INIZCTEOSA-N 2 1 272.436 3.224 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130204638 371017854 /nfs/dbraw/zinc/01/78/54/371017854.db2.gz CNLLVMOEPBHVHG-OWCLPIDISA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000132194906 371157699 /nfs/dbraw/zinc/15/76/99/371157699.db2.gz UJTWDDWHBVBEFG-CSMYWGQOSA-N 2 1 252.361 3.482 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000132106315 371152141 /nfs/dbraw/zinc/15/21/41/371152141.db2.gz ZJVYMBGXBPSCRK-LLVKDONJSA-N 2 1 283.485 3.252 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000132950596 371215079 /nfs/dbraw/zinc/21/50/79/371215079.db2.gz QMONEGZKPCYZIE-GVDBMIGSSA-N 2 1 290.451 3.082 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)[C@H](C)C1 ZINC000133020020 371220473 /nfs/dbraw/zinc/22/04/73/371220473.db2.gz HPKOHOORHOCNHI-VHDGCEQUSA-N 2 1 278.465 3.445 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000133118560 371228707 /nfs/dbraw/zinc/22/87/07/371228707.db2.gz ZYPBVKKDHDEBBS-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000133118560 371228710 /nfs/dbraw/zinc/22/87/10/371228710.db2.gz ZYPBVKKDHDEBBS-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)c1 ZINC000133118560 371228712 /nfs/dbraw/zinc/22/87/12/371228712.db2.gz ZYPBVKKDHDEBBS-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)c1 ZINC000133118560 371228715 /nfs/dbraw/zinc/22/87/15/371228715.db2.gz ZYPBVKKDHDEBBS-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133315805 371242764 /nfs/dbraw/zinc/24/27/64/371242764.db2.gz HUSPRXIVCTZQRK-OLZOCXBDSA-N 2 1 295.496 3.055 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000151095774 371568048 /nfs/dbraw/zinc/56/80/48/371568048.db2.gz TVXAJWGMZMJTMX-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000151107078 371569470 /nfs/dbraw/zinc/56/94/70/371569470.db2.gz MRCDVZZCZFYTKY-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000151124959 371571680 /nfs/dbraw/zinc/57/16/80/371571680.db2.gz LCVNZXIIFDCULG-NVXWUHKLSA-N 2 1 288.435 3.222 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H]1CCC12CCCC2)C(C)C ZINC000353293974 220013007 /nfs/dbraw/zinc/01/30/07/220013007.db2.gz SUXBTFOEXYLODV-HNNXBMFYSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000152002041 371665016 /nfs/dbraw/zinc/66/50/16/371665016.db2.gz ASTRFRKPQDDTJL-UXLLHSPISA-N 2 1 260.425 3.171 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000151663927 371622169 /nfs/dbraw/zinc/62/21/69/371622169.db2.gz ISQWOCZAIZITSW-ZOBUZTSGSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000151663927 371622175 /nfs/dbraw/zinc/62/21/75/371622175.db2.gz ISQWOCZAIZITSW-ZOBUZTSGSA-N 3 1 298.434 3.006 20 0 CGADMP COc1ccc([C@H]([NH2+]CCC[NH+](C)C)C(C)C)c(F)c1 ZINC000421801845 371636797 /nfs/dbraw/zinc/63/67/97/371636797.db2.gz LURVOHYNEPMTJW-MRXNPFEDSA-N 2 1 282.403 3.073 20 0 CGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000421819872 371643329 /nfs/dbraw/zinc/64/33/29/371643329.db2.gz JKSFUFPYPLRZEO-CYBMUJFWSA-N 2 1 296.842 3.485 20 0 CGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000151919355 371651496 /nfs/dbraw/zinc/65/14/96/371651496.db2.gz IHENADROPUKDAZ-CQSZACIVSA-N 2 1 282.815 3.095 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353316339 220023181 /nfs/dbraw/zinc/02/31/81/220023181.db2.gz SNBZDNPKFKZQHV-CHWSQXEVSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152489257 371698562 /nfs/dbraw/zinc/69/85/62/371698562.db2.gz MRRSMNWOHVTOGO-FHSNZYRGSA-N 2 1 288.410 3.133 20 0 CGADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152489345 371698703 /nfs/dbraw/zinc/69/87/03/371698703.db2.gz MRRSMNWOHVTOGO-ZJNRKIDTSA-N 2 1 288.410 3.133 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422562650 371750397 /nfs/dbraw/zinc/75/03/97/371750397.db2.gz QPCXBTPGFWRGPP-ADWOECEWSA-N 2 1 276.399 3.144 20 0 CGADMP CSc1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422626028 371755021 /nfs/dbraw/zinc/75/50/21/371755021.db2.gz DBLKXLNXKCUFPZ-YDHLFZDLSA-N 2 1 278.465 3.214 20 0 CGADMP CC(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000153466112 371769000 /nfs/dbraw/zinc/76/90/00/371769000.db2.gz SDETUGKIFQRKBZ-CVEARBPZSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000153466112 371769010 /nfs/dbraw/zinc/76/90/10/371769010.db2.gz SDETUGKIFQRKBZ-CVEARBPZSA-N 2 1 290.451 3.041 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000422726377 371769869 /nfs/dbraw/zinc/76/98/69/371769869.db2.gz DSWXHXYCYSUZAR-ZIAGYGMSSA-N 2 1 252.789 3.090 20 0 CGADMP CC(C)OC[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000337340233 214016455 /nfs/dbraw/zinc/01/64/55/214016455.db2.gz PFQJOKKPPGYPNX-IRXDYDNUSA-N 2 1 292.467 3.300 20 0 CGADMP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1C ZINC000422771141 371795186 /nfs/dbraw/zinc/79/51/86/371795186.db2.gz XUDQHTXBINPZOL-DLBZAZTESA-N 2 1 282.387 3.238 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422771554 371796972 /nfs/dbraw/zinc/79/69/72/371796972.db2.gz VYJPIMDXDNWFAY-UONOGXRCSA-N 2 1 269.392 3.257 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000422779727 371801641 /nfs/dbraw/zinc/80/16/41/371801641.db2.gz GKSXGSIFPWMUOJ-XOKHGSTOSA-N 2 1 276.424 3.122 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784687 371805546 /nfs/dbraw/zinc/80/55/46/371805546.db2.gz QCXAYRJJUZPIMG-KGLIPLIRSA-N 2 1 286.341 3.455 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784690 371806119 /nfs/dbraw/zinc/80/61/19/371806119.db2.gz QCXAYRJJUZPIMG-UONOGXRCSA-N 2 1 286.341 3.455 20 0 CGADMP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)c1 ZINC000422784969 371806505 /nfs/dbraw/zinc/80/65/05/371806505.db2.gz JDDVSNJFMBVSTK-RBUKOAKNSA-N 2 1 296.414 3.332 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018430 371809705 /nfs/dbraw/zinc/80/97/05/371809705.db2.gz QJIUNUJISQWLOK-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018430 371809711 /nfs/dbraw/zinc/80/97/11/371809711.db2.gz QJIUNUJISQWLOK-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018430 371809716 /nfs/dbraw/zinc/80/97/16/371809716.db2.gz QJIUNUJISQWLOK-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422802224 371819241 /nfs/dbraw/zinc/81/92/41/371819241.db2.gz CZKSSWGDNWOGIK-ZIAGYGMSSA-N 2 1 282.428 3.297 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000422861617 371843340 /nfs/dbraw/zinc/84/33/40/371843340.db2.gz ORDVEYBLJPTHAP-DCAQKATOSA-N 2 1 269.458 3.217 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422889420 371854907 /nfs/dbraw/zinc/85/49/07/371854907.db2.gz PLQQRWUHYBMVBM-OKZBNKHCSA-N 2 1 294.398 3.417 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000422913382 371865720 /nfs/dbraw/zinc/86/57/20/371865720.db2.gz PWHNPGQVTKAAGN-DLBZAZTESA-N 2 1 288.435 3.368 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1cccc(C)c1 ZINC000422917919 371867618 /nfs/dbraw/zinc/86/76/18/371867618.db2.gz GDMBGWDNSHJISK-HUUCEWRRSA-N 2 1 299.418 3.311 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1c(F)cccc1Cl ZINC000289991372 371872570 /nfs/dbraw/zinc/87/25/70/371872570.db2.gz KKYKWSQVXPIBKD-SNVBAGLBSA-N 2 1 281.762 3.106 20 0 CGADMP CC[C@H]([NH2+]CCc1cccc(F)c1F)[C@H]1CCCC[NH2+]1 ZINC000422954151 371891573 /nfs/dbraw/zinc/89/15/73/371891573.db2.gz GYFRPEYWTYGAGU-LSDHHAIUSA-N 2 1 282.378 3.018 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000344102912 217051962 /nfs/dbraw/zinc/05/19/62/217051962.db2.gz FYRZORAYBXCVHH-CXAGYDPISA-N 2 1 286.419 3.214 20 0 CGADMP c1cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2o1 ZINC000290124036 371910152 /nfs/dbraw/zinc/91/01/52/371910152.db2.gz UJCSHHFGFHLNHX-MRXNPFEDSA-N 2 1 284.403 3.351 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2o1 ZINC000290124036 371910161 /nfs/dbraw/zinc/91/01/61/371910161.db2.gz UJCSHHFGFHLNHX-MRXNPFEDSA-N 2 1 284.403 3.351 20 0 CGADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423063991 371943620 /nfs/dbraw/zinc/94/36/20/371943620.db2.gz QHHJDYTXQAXITF-NUEKZKHPSA-N 2 1 296.817 3.489 20 0 CGADMP CCCCCn1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(C)n1 ZINC000423025853 371922751 /nfs/dbraw/zinc/92/27/51/371922751.db2.gz PGCYBYMJOSNRFR-IRXDYDNUSA-N 2 1 292.471 3.131 20 0 CGADMP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423040878 371928093 /nfs/dbraw/zinc/92/80/93/371928093.db2.gz VFBVVIKQDWRURK-ICCXJUOJSA-N 2 1 272.314 3.452 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423099337 371963624 /nfs/dbraw/zinc/96/36/24/371963624.db2.gz TWGXUDITRYYWIW-VMUDFCTBSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423125168 371978641 /nfs/dbraw/zinc/97/86/41/371978641.db2.gz NCZJZBDHPLYIAY-ZIAGYGMSSA-N 2 1 293.455 3.112 20 0 CGADMP CC[N@@H+](CC1CC1)CC1CCN(c2ccccn2)CC1 ZINC000156594645 371986792 /nfs/dbraw/zinc/98/67/92/371986792.db2.gz XBPKGDHJBIRHPN-UHFFFAOYSA-N 2 1 273.424 3.030 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188218 372015263 /nfs/dbraw/zinc/01/52/63/372015263.db2.gz NGTJGMPOVOSWCT-IAGOWNOFSA-N 2 1 275.440 3.120 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000423200777 372025053 /nfs/dbraw/zinc/02/50/53/372025053.db2.gz NDLPWUIDZCPDSK-AWEZNQCLSA-N 2 1 276.424 3.398 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1csc(Cl)c1 ZINC000423202320 372026848 /nfs/dbraw/zinc/02/68/48/372026848.db2.gz AQNZBRFPIVCEAT-VHSXEESVSA-N 2 1 258.818 3.052 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ncccc2c1 ZINC000290620646 372029529 /nfs/dbraw/zinc/02/95/29/372029529.db2.gz XGKLURMCQHRHJJ-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ncccc2c1 ZINC000290620646 372029532 /nfs/dbraw/zinc/02/95/32/372029532.db2.gz XGKLURMCQHRHJJ-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2ncccc2c1 ZINC000290620646 372029536 /nfs/dbraw/zinc/02/95/36/372029536.db2.gz XGKLURMCQHRHJJ-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000290620646 372029540 /nfs/dbraw/zinc/02/95/40/372029540.db2.gz XGKLURMCQHRHJJ-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000157653425 372031328 /nfs/dbraw/zinc/03/13/28/372031328.db2.gz PLHZISKFBYNLTK-LZLYRXPVSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000423209718 372032847 /nfs/dbraw/zinc/03/28/47/372032847.db2.gz JJBCDBKGTGPRCO-STQMWFEESA-N 2 1 298.377 3.247 20 0 CGADMP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423215454 372035445 /nfs/dbraw/zinc/03/54/45/372035445.db2.gz NYUJKGZBBQETQO-CWRNSKLLSA-N 2 1 278.827 3.003 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CCCCC1 ZINC000423267504 372045798 /nfs/dbraw/zinc/04/57/98/372045798.db2.gz TUVFDNCBJHVNOR-SJORKVTESA-N 2 1 276.399 3.310 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423280010 372047694 /nfs/dbraw/zinc/04/76/94/372047694.db2.gz UATSNVCWKKJZKI-KDOFPFPSSA-N 2 1 286.394 3.360 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCC1 ZINC000423323468 372051902 /nfs/dbraw/zinc/05/19/02/372051902.db2.gz JMAOIUXGHPKSKO-LBPRGKRZSA-N 2 1 282.840 3.348 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCC1)CCCS2 ZINC000423328666 372052152 /nfs/dbraw/zinc/05/21/52/372052152.db2.gz OCEPJAHSKHRTJB-AWEZNQCLSA-N 2 1 292.448 3.093 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000158163691 372055399 /nfs/dbraw/zinc/05/53/99/372055399.db2.gz PFAMVXAPHLCVSZ-MNOVXSKESA-N 2 1 286.341 3.096 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000158163691 372055401 /nfs/dbraw/zinc/05/54/01/372055401.db2.gz PFAMVXAPHLCVSZ-MNOVXSKESA-N 2 1 286.341 3.096 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000158144127 372056067 /nfs/dbraw/zinc/05/60/67/372056067.db2.gz PMZLOTUEDWTRFJ-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158185460 372058665 /nfs/dbraw/zinc/05/86/65/372058665.db2.gz KEBXMYQRXZQCRG-SJLPKXTDSA-N 2 1 292.442 3.324 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423181113 372008621 /nfs/dbraw/zinc/00/86/21/372008621.db2.gz FNNIAGFMGJRZDI-IKGGRYGDSA-N 2 1 258.409 3.054 20 0 CGADMP [NH3+]CC[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000423179616 372009469 /nfs/dbraw/zinc/00/94/69/372009469.db2.gz HPLUNBPWNAQDTQ-UHFFFAOYSA-N 2 1 282.431 3.169 20 0 CGADMP CCC[C@H]([NH2+]CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423181849 372011041 /nfs/dbraw/zinc/01/10/41/372011041.db2.gz JSEJLYODHRGQSD-LBPRGKRZSA-N 2 1 260.303 3.095 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 ZINC000037643640 541865466 /nfs/dbraw/zinc/86/54/66/541865466.db2.gz MLADNOLBOGJIRM-YYIAUSFCSA-N 2 1 266.473 3.379 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423529572 372072954 /nfs/dbraw/zinc/07/29/54/372072954.db2.gz OPYHEGLOTLWSEE-DGCLKSJQSA-N 2 1 252.427 3.225 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3CCCC3)CC[C@@H]21 ZINC000158684596 372079278 /nfs/dbraw/zinc/07/92/78/372079278.db2.gz VRUTXMHKDTWWIH-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]21 ZINC000158684596 372079283 /nfs/dbraw/zinc/07/92/83/372079283.db2.gz VRUTXMHKDTWWIH-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC3CCCC3)CC[C@@H]21 ZINC000158684596 372079288 /nfs/dbraw/zinc/07/92/88/372079288.db2.gz VRUTXMHKDTWWIH-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CC2)CC1 ZINC000158911809 372088758 /nfs/dbraw/zinc/08/87/58/372088758.db2.gz LCVCMESZBGUIHQ-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159027733 372100430 /nfs/dbraw/zinc/10/04/30/372100430.db2.gz HLAPITKTVASMFV-MSOLQXFVSA-N 2 1 272.436 3.381 20 0 CGADMP CC(C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159027733 372100436 /nfs/dbraw/zinc/10/04/36/372100436.db2.gz HLAPITKTVASMFV-MSOLQXFVSA-N 2 1 272.436 3.381 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000291217964 372140301 /nfs/dbraw/zinc/14/03/01/372140301.db2.gz NFSNAKNKUUCQGN-FZKQIMNGSA-N 2 1 299.418 3.200 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000291353066 372166871 /nfs/dbraw/zinc/16/68/71/372166871.db2.gz XMNCUCUKZJLNOE-RVKKMQEKSA-N 2 1 272.436 3.190 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)CC[N@H+]1C ZINC000160365243 372241136 /nfs/dbraw/zinc/24/11/36/372241136.db2.gz HPTXCVDUBLVSOC-WDEREUQCSA-N 2 1 272.845 3.016 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428997633 372301156 /nfs/dbraw/zinc/30/11/56/372301156.db2.gz QPVPZIBCLDGYSP-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428997633 372301163 /nfs/dbraw/zinc/30/11/63/372301163.db2.gz QPVPZIBCLDGYSP-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428997633 372301170 /nfs/dbraw/zinc/30/11/70/372301170.db2.gz QPVPZIBCLDGYSP-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccnc1)C(C)C ZINC000162383902 372390789 /nfs/dbraw/zinc/39/07/89/372390789.db2.gz YEFPYOLLCRXIIG-UHFFFAOYSA-N 2 1 286.423 3.277 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccnc1)C(C)C ZINC000162383902 372390797 /nfs/dbraw/zinc/39/07/97/372390797.db2.gz YEFPYOLLCRXIIG-UHFFFAOYSA-N 2 1 286.423 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000162439696 372396871 /nfs/dbraw/zinc/39/68/71/372396871.db2.gz GCDVETWKKRXUNA-AEFFLSMTSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000162614673 372405493 /nfs/dbraw/zinc/40/54/93/372405493.db2.gz OFYALGFYINZMNR-KXBFYZLASA-N 2 1 282.431 3.455 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000293661000 372440461 /nfs/dbraw/zinc/44/04/61/372440461.db2.gz NWOPYUIOXLNMIG-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000293661000 372440470 /nfs/dbraw/zinc/44/04/70/372440470.db2.gz NWOPYUIOXLNMIG-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000163351775 372463957 /nfs/dbraw/zinc/46/39/57/372463957.db2.gz PDUBNJXEBXLTKV-VXGBXAGGSA-N 2 1 278.362 3.181 20 0 CGADMP CC1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000163396146 372467455 /nfs/dbraw/zinc/46/74/55/372467455.db2.gz BIZWYCIHVJNLQI-UHFFFAOYSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)s1 ZINC000163628324 372484222 /nfs/dbraw/zinc/48/42/22/372484222.db2.gz RWVYJJAPIMPFKG-UHFFFAOYSA-N 2 1 260.834 3.221 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)s1 ZINC000163628324 372484224 /nfs/dbraw/zinc/48/42/24/372484224.db2.gz RWVYJJAPIMPFKG-UHFFFAOYSA-N 2 1 260.834 3.221 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000163648166 372486009 /nfs/dbraw/zinc/48/60/09/372486009.db2.gz CRGOEJHNQCGYTR-FZMZJTMJSA-N 2 1 268.351 3.054 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cnc(C)nc2C)CC1 ZINC000164465304 372519674 /nfs/dbraw/zinc/51/96/74/372519674.db2.gz CJWREOKUVHLRAH-CQSZACIVSA-N 2 1 290.455 3.009 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000166335637 372572929 /nfs/dbraw/zinc/57/29/29/372572929.db2.gz CQZJSNHRYYNENS-IVSAIRAKSA-N 2 1 260.425 3.251 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000166335637 372572936 /nfs/dbraw/zinc/57/29/36/372572936.db2.gz CQZJSNHRYYNENS-IVSAIRAKSA-N 2 1 260.425 3.251 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cs1 ZINC000294101017 372581096 /nfs/dbraw/zinc/58/10/96/372581096.db2.gz BZHWUNXQSZEDJZ-UHFFFAOYSA-N 2 1 266.454 3.267 20 0 CGADMP c1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000294118265 372586504 /nfs/dbraw/zinc/58/65/04/372586504.db2.gz KLZBDCJOIBKKLF-QRVBRYPASA-N 2 1 284.447 3.397 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000294668657 372666243 /nfs/dbraw/zinc/66/62/43/372666243.db2.gz AQMNHKFOXPXJKC-SUMWQHHRSA-N 2 1 299.418 3.399 20 0 CGADMP CC[C@@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435446035 372764969 /nfs/dbraw/zinc/76/49/69/372764969.db2.gz IWKMYUDYMKLYBO-RDJZCZTQSA-N 2 1 260.425 3.254 20 0 CGADMP C[N@H+](Cc1cnc(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435435205 372765348 /nfs/dbraw/zinc/76/53/48/372765348.db2.gz AQSLRHLRSJRAGT-LBPRGKRZSA-N 2 1 281.469 3.015 20 0 CGADMP C[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435435205 372765361 /nfs/dbraw/zinc/76/53/61/372765361.db2.gz AQSLRHLRSJRAGT-LBPRGKRZSA-N 2 1 281.469 3.015 20 0 CGADMP CC[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624760 372786305 /nfs/dbraw/zinc/78/63/05/372786305.db2.gz KCJPETDCDUWGAX-MRXNPFEDSA-N 2 1 294.414 3.059 20 0 CGADMP C[NH2+]CCC[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000435872415 372821670 /nfs/dbraw/zinc/82/16/70/372821670.db2.gz YJOBUXYOXNJWKK-UHFFFAOYSA-N 2 1 282.378 3.319 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000435872415 372821673 /nfs/dbraw/zinc/82/16/73/372821673.db2.gz YJOBUXYOXNJWKK-UHFFFAOYSA-N 2 1 282.378 3.319 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000295507192 372807390 /nfs/dbraw/zinc/80/73/90/372807390.db2.gz UPHIOHCWTBHDQK-IIDMSEBBSA-N 2 1 290.451 3.182 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295909507 372954804 /nfs/dbraw/zinc/95/48/04/372954804.db2.gz JEHAWZYQMUTWIP-ZDUSSCGKSA-N 2 1 295.858 3.290 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)cc2)C1 ZINC000173904770 373213786 /nfs/dbraw/zinc/21/37/86/373213786.db2.gz LZTKLYHNIZBRSY-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)cc2)C1 ZINC000173904770 373213791 /nfs/dbraw/zinc/21/37/91/373213791.db2.gz LZTKLYHNIZBRSY-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000173904770 373213801 /nfs/dbraw/zinc/21/38/01/373213801.db2.gz LZTKLYHNIZBRSY-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000173904770 373213805 /nfs/dbraw/zinc/21/38/05/373213805.db2.gz LZTKLYHNIZBRSY-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(F)ccc1F ZINC000173954838 373223453 /nfs/dbraw/zinc/22/34/53/373223453.db2.gz PYOZOLCERZQOTJ-OAHLLOKOSA-N 2 1 282.378 3.271 20 0 CGADMP C[N@H+](CCC[NH+]1CCCCC1)CCOCc1ccccc1 ZINC000444595400 373206707 /nfs/dbraw/zinc/20/67/07/373206707.db2.gz JKOMCDBCCQHUAW-UHFFFAOYSA-N 2 1 290.451 3.011 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCOCc1ccccc1 ZINC000444595400 373206717 /nfs/dbraw/zinc/20/67/17/373206717.db2.gz JKOMCDBCCQHUAW-UHFFFAOYSA-N 2 1 290.451 3.011 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[N@H+]1C ZINC000297195814 373261914 /nfs/dbraw/zinc/26/19/14/373261914.db2.gz FRZMEGDAQSANGC-BNLOLNQZSA-N 2 1 294.389 3.415 20 0 CGADMP Clc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298569887 373356877 /nfs/dbraw/zinc/35/68/77/373356877.db2.gz WYUJXYZWGIEZRX-UHFFFAOYSA-N 2 1 278.827 3.099 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000447380251 373431377 /nfs/dbraw/zinc/43/13/77/373431377.db2.gz DUBFDDQVTHWCLQ-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000353647727 220223036 /nfs/dbraw/zinc/22/30/36/220223036.db2.gz SJVJJGGMYYOWOW-UHFFFAOYSA-N 2 1 284.447 3.385 20 0 CGADMP CC[C@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449436080 373713473 /nfs/dbraw/zinc/71/34/73/373713473.db2.gz WVUARFNGZKIIMV-UONOGXRCSA-N 2 1 261.413 3.064 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000177296036 373671956 /nfs/dbraw/zinc/67/19/56/373671956.db2.gz JIAPQGKXILFEOY-KBPBESRZSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000178239555 373755778 /nfs/dbraw/zinc/75/57/78/373755778.db2.gz DWEPDTYESPDEGS-JENIJYKNSA-N 2 1 288.479 3.473 20 0 CGADMP C[C@@]1(c2ccccc2)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178973655 373823345 /nfs/dbraw/zinc/82/33/45/373823345.db2.gz IAJNRGNKHZIUTA-GOSISDBHSA-N 2 1 272.436 3.040 20 0 CGADMP Fc1ccc(C[N@@H+](CC2CC2)CC2CC[NH2+]CC2)cc1 ZINC000178973975 373823569 /nfs/dbraw/zinc/82/35/69/373823569.db2.gz NTAOCLJTTPKKDT-UHFFFAOYSA-N 2 1 276.399 3.037 20 0 CGADMP C[C@@H]1C[C@H](N[C@@H]2CCCOc3cc(F)ccc32)CC[N@H+]1C ZINC000179965292 373948677 /nfs/dbraw/zinc/94/86/77/373948677.db2.gz RRCUDTPIVJYCFQ-XNRPHZJLSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CCN1C ZINC000179965292 373948681 /nfs/dbraw/zinc/94/86/81/373948681.db2.gz RRCUDTPIVJYCFQ-XNRPHZJLSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[N@@H+]1C ZINC000179965292 373948688 /nfs/dbraw/zinc/94/86/88/373948688.db2.gz RRCUDTPIVJYCFQ-XNRPHZJLSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[N@H+]1C ZINC000179965292 373948694 /nfs/dbraw/zinc/94/86/94/373948694.db2.gz RRCUDTPIVJYCFQ-XNRPHZJLSA-N 2 1 292.398 3.112 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450269285 374031359 /nfs/dbraw/zinc/03/13/59/374031359.db2.gz LALXHVCYUWCRLU-UHFFFAOYSA-N 2 1 288.426 3.476 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC23CCC(CC2)C3)CC1 ZINC000450339124 374067862 /nfs/dbraw/zinc/06/78/62/374067862.db2.gz NZUBJVLKXDGFKR-UHFFFAOYSA-N 2 1 264.457 3.371 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C[C@H]1OC ZINC000181693713 374156475 /nfs/dbraw/zinc/15/64/75/374156475.db2.gz DBECGHXMOBUGQU-FVQBIDKESA-N 2 1 293.455 3.011 20 0 CGADMP CO[C@H](C)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000182220906 374238668 /nfs/dbraw/zinc/23/86/68/374238668.db2.gz UXCIUWJXHHVSPS-NUJGCVRESA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000182220906 374238674 /nfs/dbraw/zinc/23/86/74/374238674.db2.gz UXCIUWJXHHVSPS-NUJGCVRESA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000182220906 374238682 /nfs/dbraw/zinc/23/86/82/374238682.db2.gz UXCIUWJXHHVSPS-NUJGCVRESA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000182220906 374238686 /nfs/dbraw/zinc/23/86/86/374238686.db2.gz UXCIUWJXHHVSPS-NUJGCVRESA-N 2 1 290.451 3.006 20 0 CGADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453334919 374427818 /nfs/dbraw/zinc/42/78/18/374427818.db2.gz XLXQWSKUGGMSMI-UWOZVVAPSA-N 2 1 272.436 3.453 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000453396976 374473065 /nfs/dbraw/zinc/47/30/65/374473065.db2.gz JCDPXKXJMIPWKY-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000334178363 206149905 /nfs/dbraw/zinc/14/99/05/206149905.db2.gz DIFVYJCRARHMHL-HNNXBMFYSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000334178363 206149909 /nfs/dbraw/zinc/14/99/09/206149909.db2.gz DIFVYJCRARHMHL-HNNXBMFYSA-N 2 1 288.435 3.316 20 0 CGADMP CCc1nc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cs1 ZINC000184740838 374556982 /nfs/dbraw/zinc/55/69/82/374556982.db2.gz OWNNNIYIKQIYNR-GFCCVEGCSA-N 2 1 292.452 3.341 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCCc2cccnc21)C[NH+]1CCCCC1 ZINC000091661220 541967712 /nfs/dbraw/zinc/96/77/12/541967712.db2.gz JAQWJHQWHGGNFT-DOTOQJQBSA-N 2 1 287.451 3.171 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3c(O)cccc32)CCCCC1 ZINC000332300475 374566075 /nfs/dbraw/zinc/56/60/75/374566075.db2.gz DXVMHGCFFWFUMJ-HNNXBMFYSA-N 2 1 274.408 3.021 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000464780467 374896338 /nfs/dbraw/zinc/89/63/38/374896338.db2.gz SWSKAQZQOGXBES-SQNIBIBYSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000464780467 374896342 /nfs/dbraw/zinc/89/63/42/374896342.db2.gz SWSKAQZQOGXBES-SQNIBIBYSA-N 2 1 296.499 3.245 20 0 CGADMP Cc1cccc(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000472758122 375033001 /nfs/dbraw/zinc/03/30/01/375033001.db2.gz ZWQPQFUODRAJMO-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cccc(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000472758122 375033009 /nfs/dbraw/zinc/03/30/09/375033009.db2.gz ZWQPQFUODRAJMO-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cccc(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000472758122 375033020 /nfs/dbraw/zinc/03/30/20/375033020.db2.gz ZWQPQFUODRAJMO-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cccc(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000472758122 375033025 /nfs/dbraw/zinc/03/30/25/375033025.db2.gz ZWQPQFUODRAJMO-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938615 375038209 /nfs/dbraw/zinc/03/82/09/375038209.db2.gz KQWMCWPRHCMPQE-WMZOPIPTSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938615 375038210 /nfs/dbraw/zinc/03/82/10/375038210.db2.gz KQWMCWPRHCMPQE-WMZOPIPTSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938615 375038212 /nfs/dbraw/zinc/03/82/12/375038212.db2.gz KQWMCWPRHCMPQE-WMZOPIPTSA-N 2 1 290.426 3.489 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000474107481 375082287 /nfs/dbraw/zinc/08/22/87/375082287.db2.gz YAVCFTJVNILEOW-MAUKXSAKSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1nccnc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000187777759 375093590 /nfs/dbraw/zinc/09/35/90/375093590.db2.gz USKPELCAXGRDBZ-LSDHHAIUSA-N 2 1 290.455 3.090 20 0 CGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224196801 296226322 /nfs/dbraw/zinc/22/63/22/296226322.db2.gz YHKUHYSRBMIRCS-KBPBESRZSA-N 2 1 260.425 3.326 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC000483242067 375178281 /nfs/dbraw/zinc/17/82/81/375178281.db2.gz JYDOGORAFYXRRP-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483242067 375178285 /nfs/dbraw/zinc/17/82/85/375178285.db2.gz JYDOGORAFYXRRP-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483242067 375178289 /nfs/dbraw/zinc/17/82/89/375178289.db2.gz JYDOGORAFYXRRP-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)ccc2n1 ZINC000335229353 375247461 /nfs/dbraw/zinc/24/74/61/375247461.db2.gz ZKPPZTSATPKHDB-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc2n1 ZINC000335229353 375247469 /nfs/dbraw/zinc/24/74/69/375247469.db2.gz ZKPPZTSATPKHDB-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc2n1 ZINC000335229353 375247472 /nfs/dbraw/zinc/24/74/72/375247472.db2.gz ZKPPZTSATPKHDB-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC2(CC[NH2+]C2)CC1 ZINC000335344226 375264290 /nfs/dbraw/zinc/26/42/90/375264290.db2.gz HCFOGBDQDRQAGA-UHFFFAOYSA-N 2 1 281.403 3.123 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2ncsc2c1 ZINC000335820577 375458553 /nfs/dbraw/zinc/45/85/53/375458553.db2.gz JWHAOGOZZJXAGJ-LLVKDONJSA-N 2 1 275.421 3.041 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1[NH3+] ZINC000335786479 375430025 /nfs/dbraw/zinc/43/00/25/375430025.db2.gz NZTPURJMPBGTDP-UGSOOPFHSA-N 2 1 299.393 3.057 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1[NH3+] ZINC000335786479 375430030 /nfs/dbraw/zinc/43/00/30/375430030.db2.gz NZTPURJMPBGTDP-UGSOOPFHSA-N 2 1 299.393 3.057 20 0 CGADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cnn1C(C)C ZINC000191132003 375581899 /nfs/dbraw/zinc/58/18/99/375581899.db2.gz ZESFXCCWOBCWFE-HNNXBMFYSA-N 2 1 292.471 3.299 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000121131725 542015672 /nfs/dbraw/zinc/01/56/72/542015672.db2.gz MDTDKDQLTJXDNU-YVEFUNNKSA-N 2 1 294.389 3.274 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000121131725 542015676 /nfs/dbraw/zinc/01/56/76/542015676.db2.gz MDTDKDQLTJXDNU-YVEFUNNKSA-N 2 1 294.389 3.274 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000507948457 375729347 /nfs/dbraw/zinc/72/93/47/375729347.db2.gz BNCFCUPWYVVXGE-OAGGEKHMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000507948457 375729353 /nfs/dbraw/zinc/72/93/53/375729353.db2.gz BNCFCUPWYVVXGE-OAGGEKHMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)CCC1CCCCC1 ZINC000520598946 375865706 /nfs/dbraw/zinc/86/57/06/375865706.db2.gz VXPRPZIXROPCBP-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC1CCCCC1 ZINC000520598946 375865711 /nfs/dbraw/zinc/86/57/11/375865711.db2.gz VXPRPZIXROPCBP-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC1CCCCC1 ZINC000520598946 375865715 /nfs/dbraw/zinc/86/57/15/375865715.db2.gz VXPRPZIXROPCBP-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC1CCCCC1 ZINC000520598946 375865717 /nfs/dbraw/zinc/86/57/17/375865717.db2.gz VXPRPZIXROPCBP-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC1CCCCC1 ZINC000520598946 375865721 /nfs/dbraw/zinc/86/57/21/375865721.db2.gz VXPRPZIXROPCBP-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000520648799 375868913 /nfs/dbraw/zinc/86/89/13/375868913.db2.gz LBRGTBCNWHOQOJ-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CCSCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336803241 375952139 /nfs/dbraw/zinc/95/21/39/375952139.db2.gz XPPBMYPJYSNNFW-CVEARBPZSA-N 2 1 284.513 3.326 20 0 CGADMP CCSCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336803241 375952145 /nfs/dbraw/zinc/95/21/45/375952145.db2.gz XPPBMYPJYSNNFW-CVEARBPZSA-N 2 1 284.513 3.326 20 0 CGADMP CCSCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336803241 375952151 /nfs/dbraw/zinc/95/21/51/375952151.db2.gz XPPBMYPJYSNNFW-CVEARBPZSA-N 2 1 284.513 3.326 20 0 CGADMP COc1ccccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534347008 375980297 /nfs/dbraw/zinc/98/02/97/375980297.db2.gz RJHLKFDXRJOKMC-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000336812249 375964830 /nfs/dbraw/zinc/96/48/30/375964830.db2.gz QQFKOBZFOOTLBQ-JKSUJKDBSA-N 2 1 263.429 3.386 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C)cc1 ZINC000534317126 375970671 /nfs/dbraw/zinc/97/06/71/375970671.db2.gz PEROTQCSRJOJLN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C)cc1 ZINC000534317126 375970677 /nfs/dbraw/zinc/97/06/77/375970677.db2.gz PEROTQCSRJOJLN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C)cc1 ZINC000534317126 375970683 /nfs/dbraw/zinc/97/06/83/375970683.db2.gz PEROTQCSRJOJLN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP c1ccc(CSCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000193900713 375936348 /nfs/dbraw/zinc/93/63/48/375936348.db2.gz GVHMLFUYKVRWPY-UHFFFAOYSA-N 2 1 290.476 3.136 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Br)cs1 ZINC000193940419 375941174 /nfs/dbraw/zinc/94/11/74/375941174.db2.gz BWQPOPPACJUYKO-SECBINFHSA-N 2 1 291.258 3.113 20 0 CGADMP C[C@H](C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C[NH+](C)C ZINC000336829958 375991304 /nfs/dbraw/zinc/99/13/04/375991304.db2.gz FEGAQBFEYNCJKA-SNVBAGLBSA-N 2 1 292.320 3.132 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCC1CCOCC1 ZINC000337183116 376121324 /nfs/dbraw/zinc/12/13/24/376121324.db2.gz NKYGOXMXGZXOOI-UHFFFAOYSA-N 2 1 293.455 3.110 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCC1CCOCC1 ZINC000337183116 376121333 /nfs/dbraw/zinc/12/13/33/376121333.db2.gz NKYGOXMXGZXOOI-UHFFFAOYSA-N 2 1 293.455 3.110 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCC(C)(C)C ZINC000337174740 376115294 /nfs/dbraw/zinc/11/52/94/376115294.db2.gz HLBOVSUMXWCHJB-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCC(C)(C)C ZINC000337174740 376115301 /nfs/dbraw/zinc/11/53/01/376115301.db2.gz HLBOVSUMXWCHJB-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000536068901 376077181 /nfs/dbraw/zinc/07/71/81/376077181.db2.gz OOVUXXGJXIUFSO-STQMWFEESA-N 2 1 273.355 3.110 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000212813656 376138854 /nfs/dbraw/zinc/13/88/54/376138854.db2.gz HBKNDPXYPXCPSL-JTQLQIEISA-N 2 1 258.768 3.081 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1 ZINC000537105594 376147137 /nfs/dbraw/zinc/14/71/37/376147137.db2.gz OCMKMSOEHSKUSV-WBVHZDCISA-N 2 1 260.425 3.438 20 0 CGADMP C[N@@H+](CCCOCc1ccccc1)CCC[NH+]1CCCC1 ZINC000337232857 376154219 /nfs/dbraw/zinc/15/42/19/376154219.db2.gz VXSITFUVRMMFAI-UHFFFAOYSA-N 2 1 290.451 3.011 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)C1 ZINC000537296698 376161006 /nfs/dbraw/zinc/16/10/06/376161006.db2.gz YTVQPKUACMRTDN-QBPKDAKJSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537306498 376162724 /nfs/dbraw/zinc/16/27/24/376162724.db2.gz GVZUWAHRVCDKQS-DOTOQJQBSA-N 2 1 260.425 3.285 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615214 376181778 /nfs/dbraw/zinc/18/17/78/376181778.db2.gz NULWHCXSANCKBA-OCCSQVGLSA-N 2 1 293.480 3.325 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000536694913 376124293 /nfs/dbraw/zinc/12/42/93/376124293.db2.gz COZUOCDEAVBIBD-NVXWUHKLSA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000536694913 376124304 /nfs/dbraw/zinc/12/43/04/376124304.db2.gz COZUOCDEAVBIBD-NVXWUHKLSA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000536694913 376124312 /nfs/dbraw/zinc/12/43/12/376124312.db2.gz COZUOCDEAVBIBD-NVXWUHKLSA-N 2 1 262.441 3.006 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCSc2ccccc2)[C@H](C)C1 ZINC000537971750 376214219 /nfs/dbraw/zinc/21/42/19/376214219.db2.gz FPLDPRMPPHSQTB-NVXWUHKLSA-N 2 1 292.492 3.489 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000537990468 376217716 /nfs/dbraw/zinc/21/77/16/376217716.db2.gz HVZPOFDBODEVKB-DLBZAZTESA-N 2 1 290.451 3.145 20 0 CGADMP Cc1nc(C)c([C@H](C)NCCC[N@H+](C)C(C)C)s1 ZINC000221919385 376223446 /nfs/dbraw/zinc/22/34/46/376223446.db2.gz QLXZQHOBAHTIAV-NSHDSACASA-N 2 1 269.458 3.141 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)s1 ZINC000221919385 376223451 /nfs/dbraw/zinc/22/34/51/376223451.db2.gz QLXZQHOBAHTIAV-NSHDSACASA-N 2 1 269.458 3.141 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)s1 ZINC000221919385 376223460 /nfs/dbraw/zinc/22/34/60/376223460.db2.gz QLXZQHOBAHTIAV-NSHDSACASA-N 2 1 269.458 3.141 20 0 CGADMP CC(=O)Nc1cccc([C@@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000221910073 376224072 /nfs/dbraw/zinc/22/40/72/376224072.db2.gz YRJQJAQUHPXRCQ-CQSZACIVSA-N 2 1 291.439 3.026 20 0 CGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000221910073 376224076 /nfs/dbraw/zinc/22/40/76/376224076.db2.gz YRJQJAQUHPXRCQ-CQSZACIVSA-N 2 1 291.439 3.026 20 0 CGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000221910073 376224081 /nfs/dbraw/zinc/22/40/81/376224081.db2.gz YRJQJAQUHPXRCQ-CQSZACIVSA-N 2 1 291.439 3.026 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337510200 376225858 /nfs/dbraw/zinc/22/58/58/376225858.db2.gz INWFFZHPWGRVSJ-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000538304397 376231820 /nfs/dbraw/zinc/23/18/20/376231820.db2.gz HSKTUQVKQCPMHN-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000538398311 376238633 /nfs/dbraw/zinc/23/86/33/376238633.db2.gz HLYUAUAZFOLHJD-BRWVUGGUSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000226313141 376350024 /nfs/dbraw/zinc/35/00/24/376350024.db2.gz QAGOSMIQLLXXQS-KRWDZBQOSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000539049810 376288673 /nfs/dbraw/zinc/28/86/73/376288673.db2.gz ZDDQNKQWCIZOKQ-AEFFLSMTSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000539069502 376291725 /nfs/dbraw/zinc/29/17/25/376291725.db2.gz IHZRDAAZDNNSIM-DNVCBOLYSA-N 2 1 282.431 3.312 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)CCOc2cccc(F)c2)CC1 ZINC000338258116 376300954 /nfs/dbraw/zinc/30/09/54/376300954.db2.gz TZWMFBPIOSYPBJ-UHFFFAOYSA-N 2 1 294.414 3.009 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2cccc(F)c2)CC1 ZINC000338258116 376300961 /nfs/dbraw/zinc/30/09/61/376300961.db2.gz TZWMFBPIOSYPBJ-UHFFFAOYSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226438712 376359662 /nfs/dbraw/zinc/35/96/62/376359662.db2.gz WHRGALNKPXTUJS-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226438716 376360491 /nfs/dbraw/zinc/36/04/91/376360491.db2.gz WHRGALNKPXTUJS-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000540505196 376378499 /nfs/dbraw/zinc/37/84/99/376378499.db2.gz VPJLSWOEXRKUDY-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@@H](C)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000540505196 376378504 /nfs/dbraw/zinc/37/85/04/376378504.db2.gz VPJLSWOEXRKUDY-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@@H](C)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000540505196 376378506 /nfs/dbraw/zinc/37/85/06/376378506.db2.gz VPJLSWOEXRKUDY-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c2ccccc2n1 ZINC000227380607 376394204 /nfs/dbraw/zinc/39/42/04/376394204.db2.gz HRUWCTTZTPCJLI-KSSFIOAISA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c2ccccc2n1 ZINC000227380607 376394207 /nfs/dbraw/zinc/39/42/07/376394207.db2.gz HRUWCTTZTPCJLI-KSSFIOAISA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cc(OCC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C(C)C ZINC000228207720 376433164 /nfs/dbraw/zinc/43/31/64/376433164.db2.gz GMZSWVOOKLRXSO-JKSUJKDBSA-N 2 1 290.451 3.166 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000230002609 376480771 /nfs/dbraw/zinc/48/07/71/376480771.db2.gz CYEWJQBOGSYWHO-UHFFFAOYSA-N 2 1 272.367 3.177 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000230002609 376480783 /nfs/dbraw/zinc/48/07/83/376480783.db2.gz CYEWJQBOGSYWHO-UHFFFAOYSA-N 2 1 272.367 3.177 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000228813009 376449594 /nfs/dbraw/zinc/44/95/94/376449594.db2.gz MLYIDUFPLUSWSE-UHFFFAOYSA-N 2 1 278.415 3.392 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC[C@H]2C)C1 ZINC000541536161 376454905 /nfs/dbraw/zinc/45/49/05/376454905.db2.gz BQQAZPVUHVHDAD-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000541536161 376454914 /nfs/dbraw/zinc/45/49/14/376454914.db2.gz BQQAZPVUHVHDAD-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000541536161 376454919 /nfs/dbraw/zinc/45/49/19/376454919.db2.gz BQQAZPVUHVHDAD-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000231669063 376564371 /nfs/dbraw/zinc/56/43/71/376564371.db2.gz GPKOCZYBHHZSPT-QGZVFWFLSA-N 2 1 268.404 3.414 20 0 CGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000230767110 376540367 /nfs/dbraw/zinc/54/03/67/376540367.db2.gz OFWSSEJIGNUJIZ-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC000334317328 206358915 /nfs/dbraw/zinc/35/89/15/206358915.db2.gz UTHXFBQFJGLFSN-RYUDHWBXSA-N 2 1 260.406 3.070 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000236950324 376717853 /nfs/dbraw/zinc/71/78/53/376717853.db2.gz YWWTXYAAXIMZNI-AWEZNQCLSA-N 2 1 287.407 3.016 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CC=CCC1 ZINC000237545674 376748938 /nfs/dbraw/zinc/74/89/38/376748938.db2.gz KQFLDSYOGBIKCW-BZUAXINKSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CC=CCC1 ZINC000237545674 376748948 /nfs/dbraw/zinc/74/89/48/376748948.db2.gz KQFLDSYOGBIKCW-BZUAXINKSA-N 2 1 250.430 3.053 20 0 CGADMP C(=C/C[N@H+]1C[C@@H]2CCC[C@@H]2C1)\C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000152969512 542109537 /nfs/dbraw/zinc/10/95/37/542109537.db2.gz LMKSEZKJCGRMOS-YLJAHGKWSA-N 2 1 274.452 3.006 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000545518356 376828312 /nfs/dbraw/zinc/82/83/12/376828312.db2.gz IVJSQIBKARHDQC-HOTGVXAUSA-N 2 1 260.425 3.438 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000245683339 376878238 /nfs/dbraw/zinc/87/82/38/376878238.db2.gz ACNDLMLRYPFORU-CVEARBPZSA-N 2 1 289.467 3.135 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000556869877 376894323 /nfs/dbraw/zinc/89/43/23/376894323.db2.gz CUXYQAFTNDUCTJ-WFDRTZIDSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000556869877 376894331 /nfs/dbraw/zinc/89/43/31/376894331.db2.gz CUXYQAFTNDUCTJ-WFDRTZIDSA-N 2 1 250.430 3.026 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000556922481 376906309 /nfs/dbraw/zinc/90/63/09/376906309.db2.gz CRVOWSZKTVLOQV-ARFHVFGLSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000556922481 376906312 /nfs/dbraw/zinc/90/63/12/376906312.db2.gz CRVOWSZKTVLOQV-ARFHVFGLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245816478 376912960 /nfs/dbraw/zinc/91/29/60/376912960.db2.gz JKGMINLZAJNUQS-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245816478 376912969 /nfs/dbraw/zinc/91/29/69/376912969.db2.gz JKGMINLZAJNUQS-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245816478 376912976 /nfs/dbraw/zinc/91/29/76/376912976.db2.gz JKGMINLZAJNUQS-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000246056600 376957920 /nfs/dbraw/zinc/95/79/20/376957920.db2.gz QKOQUINOHAKEMN-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2ccccc2)C1 ZINC000246112403 376969540 /nfs/dbraw/zinc/96/95/40/376969540.db2.gz CEVFCDRLMMKMOA-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000246112403 376969544 /nfs/dbraw/zinc/96/95/44/376969544.db2.gz CEVFCDRLMMKMOA-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000246112403 376969547 /nfs/dbraw/zinc/96/95/47/376969547.db2.gz CEVFCDRLMMKMOA-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cncc(F)c1 ZINC000246389079 377019342 /nfs/dbraw/zinc/01/93/42/377019342.db2.gz AQQLPOAZGDOVLX-ZIAGYGMSSA-N 2 1 279.403 3.136 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cncc(F)c1 ZINC000246389079 377019351 /nfs/dbraw/zinc/01/93/51/377019351.db2.gz AQQLPOAZGDOVLX-ZIAGYGMSSA-N 2 1 279.403 3.136 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246221852 376991797 /nfs/dbraw/zinc/99/17/97/376991797.db2.gz QPVIRJYQBTXIBC-IRXDYDNUSA-N 2 1 272.436 3.208 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)no1 ZINC000340473864 377085647 /nfs/dbraw/zinc/08/56/47/377085647.db2.gz RATOYDSFPMVGAW-UKRRQHHQSA-N 2 1 279.428 3.146 20 0 CGADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1F ZINC000246777329 377087236 /nfs/dbraw/zinc/08/72/36/377087236.db2.gz QCLHZWUCQXMLCD-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1F ZINC000246777329 377087243 /nfs/dbraw/zinc/08/72/43/377087243.db2.gz QCLHZWUCQXMLCD-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1F ZINC000246777329 377087248 /nfs/dbraw/zinc/08/72/48/377087248.db2.gz QCLHZWUCQXMLCD-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1F ZINC000246777329 377087251 /nfs/dbraw/zinc/08/72/51/377087251.db2.gz QCLHZWUCQXMLCD-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1F ZINC000246777329 377087256 /nfs/dbraw/zinc/08/72/56/377087256.db2.gz QCLHZWUCQXMLCD-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)(C)OC)c1 ZINC000340478437 377090413 /nfs/dbraw/zinc/09/04/13/377090413.db2.gz KWACTHLAZZXFPD-CQSZACIVSA-N 2 1 278.440 3.041 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000246838554 377098818 /nfs/dbraw/zinc/09/88/18/377098818.db2.gz BMKJRCPKYKPEMF-BFHYXJOUSA-N 2 1 250.386 3.111 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246830196 377099442 /nfs/dbraw/zinc/09/94/42/377099442.db2.gz BQBJEKZXMRMQNH-GHMZBOCLSA-N 2 1 286.341 3.096 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246830196 377099451 /nfs/dbraw/zinc/09/94/51/377099451.db2.gz BQBJEKZXMRMQNH-GHMZBOCLSA-N 2 1 286.341 3.096 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCCCC1 ZINC000559898197 377106195 /nfs/dbraw/zinc/10/61/95/377106195.db2.gz YMWHITVNXCQNLG-IWCQGFGOSA-N 2 1 264.457 3.133 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000560364867 377142890 /nfs/dbraw/zinc/14/28/90/377142890.db2.gz NVZHFGJUROREDK-QSPRXWTASA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000560364867 377142896 /nfs/dbraw/zinc/14/28/96/377142896.db2.gz NVZHFGJUROREDK-QSPRXWTASA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000560364867 377142902 /nfs/dbraw/zinc/14/29/02/377142902.db2.gz NVZHFGJUROREDK-QSPRXWTASA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000560364867 377142904 /nfs/dbraw/zinc/14/29/04/377142904.db2.gz NVZHFGJUROREDK-QSPRXWTASA-N 2 1 264.457 3.251 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000247075566 377154187 /nfs/dbraw/zinc/15/41/87/377154187.db2.gz NFXMAOUGOGQYBE-FPMFFAJLSA-N 2 1 282.378 3.488 20 0 CGADMP CCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000247127763 377163948 /nfs/dbraw/zinc/16/39/48/377163948.db2.gz RNUFYLWQENRYRE-MAUKXSAKSA-N 2 1 290.451 3.043 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000247180676 377171594 /nfs/dbraw/zinc/17/15/94/377171594.db2.gz VENVBUKZZVTCEU-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000247199281 377173921 /nfs/dbraw/zinc/17/39/21/377173921.db2.gz WFMWVYVNDNIUJQ-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247222230 377180541 /nfs/dbraw/zinc/18/05/41/377180541.db2.gz XTCMPPAMGBQARI-NXHRZFHOSA-N 2 1 274.452 3.499 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C)cc1 ZINC000340686974 377217835 /nfs/dbraw/zinc/21/78/35/377217835.db2.gz VSDJJLPHPORFQN-UHFFFAOYSA-N 2 1 260.425 3.303 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@]1(C)CC[NH2+]C1 ZINC000340712691 377230882 /nfs/dbraw/zinc/23/08/82/377230882.db2.gz PTYPWNBVORVPRQ-MRXNPFEDSA-N 2 1 296.842 3.040 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247966778 377249049 /nfs/dbraw/zinc/24/90/49/377249049.db2.gz GXEZYYJHLBLWGM-JKIFEVAISA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247966778 377249062 /nfs/dbraw/zinc/24/90/62/377249062.db2.gz GXEZYYJHLBLWGM-JKIFEVAISA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247966778 377249073 /nfs/dbraw/zinc/24/90/73/377249073.db2.gz GXEZYYJHLBLWGM-JKIFEVAISA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247966778 377249080 /nfs/dbraw/zinc/24/90/80/377249080.db2.gz GXEZYYJHLBLWGM-JKIFEVAISA-N 2 1 276.399 3.303 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000247966438 377250524 /nfs/dbraw/zinc/25/05/24/377250524.db2.gz GWJYYVMMPYTGST-JZXOWHBKSA-N 2 1 274.452 3.418 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000161612448 542159874 /nfs/dbraw/zinc/15/98/74/542159874.db2.gz BFBCJXHTNKGSRU-LSDHHAIUSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000161612448 542159878 /nfs/dbraw/zinc/15/98/78/542159878.db2.gz BFBCJXHTNKGSRU-LSDHHAIUSA-N 2 1 264.438 3.081 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000562958909 377379853 /nfs/dbraw/zinc/37/98/53/377379853.db2.gz XFDFQLVADMLKJE-BFYDXBDKSA-N 2 1 292.471 3.425 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000248745483 377393558 /nfs/dbraw/zinc/39/35/58/377393558.db2.gz RYCRHGQEVHJEHC-HZPDHXFCSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000248745483 377393563 /nfs/dbraw/zinc/39/35/63/377393563.db2.gz RYCRHGQEVHJEHC-HZPDHXFCSA-N 2 1 275.440 3.305 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000563351186 377445633 /nfs/dbraw/zinc/44/56/33/377445633.db2.gz XAUFZNSMYGHCKQ-GDBMZVCRSA-N 2 1 276.424 3.033 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000563365851 377450657 /nfs/dbraw/zinc/45/06/57/377450657.db2.gz NYZGCCWIKXBVRJ-JKSUJKDBSA-N 2 1 277.456 3.499 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000563365851 377450662 /nfs/dbraw/zinc/45/06/62/377450662.db2.gz NYZGCCWIKXBVRJ-JKSUJKDBSA-N 2 1 277.456 3.499 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)oc2cc1C ZINC000563134966 377407269 /nfs/dbraw/zinc/40/72/69/377407269.db2.gz AWVUZGIQXVEGNQ-HOCLYGCPSA-N 2 1 284.403 3.091 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)oc2cc1C ZINC000563134966 377407282 /nfs/dbraw/zinc/40/72/82/377407282.db2.gz AWVUZGIQXVEGNQ-HOCLYGCPSA-N 2 1 284.403 3.091 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000249097521 377460897 /nfs/dbraw/zinc/46/08/97/377460897.db2.gz MMUOFLRZRAWJCF-MJGOQNOKSA-N 2 1 284.447 3.454 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000249281812 377487179 /nfs/dbraw/zinc/48/71/79/377487179.db2.gz LAEJSENUDITVLB-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000249281812 377487184 /nfs/dbraw/zinc/48/71/84/377487184.db2.gz LAEJSENUDITVLB-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249281812 377487187 /nfs/dbraw/zinc/48/71/87/377487187.db2.gz LAEJSENUDITVLB-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000249281812 377487191 /nfs/dbraw/zinc/48/71/91/377487191.db2.gz LAEJSENUDITVLB-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC000249627965 377518046 /nfs/dbraw/zinc/51/80/46/377518046.db2.gz QWMHEIJFZFCFHJ-KSSFIOAISA-N 2 1 272.436 3.384 20 0 CGADMP C[C@@H]1CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@H]1C ZINC000249711212 377524328 /nfs/dbraw/zinc/52/43/28/377524328.db2.gz DYQIWAYNOSOMIZ-XLBHYRNJSA-N 2 1 250.430 3.291 20 0 CGADMP COc1cc(F)cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000312516235 249080682 /nfs/dbraw/zinc/08/06/82/249080682.db2.gz KXTDUYNUASFZBN-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000339189037 249102114 /nfs/dbraw/zinc/10/21/14/249102114.db2.gz FVPKCPGPQWRGQE-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459564991 249156771 /nfs/dbraw/zinc/15/67/71/249156771.db2.gz XBKMGMHSHFMZGV-GOSISDBHSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459564991 249156774 /nfs/dbraw/zinc/15/67/74/249156774.db2.gz XBKMGMHSHFMZGV-GOSISDBHSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459564991 249156776 /nfs/dbraw/zinc/15/67/76/249156776.db2.gz XBKMGMHSHFMZGV-GOSISDBHSA-N 2 1 270.420 3.092 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(C)c1OC(F)F ZINC000469865557 249160433 /nfs/dbraw/zinc/16/04/33/249160433.db2.gz VVYUSIPPZDMXNZ-JSGCOSHPSA-N 2 1 298.377 3.074 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428045532 249130852 /nfs/dbraw/zinc/13/08/52/249130852.db2.gz QIHOLACNYMEFBI-ICSRJNTNSA-N 2 1 294.442 3.456 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000251539354 377586744 /nfs/dbraw/zinc/58/67/44/377586744.db2.gz OIAHMAFEDFWVRR-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251690748 377594801 /nfs/dbraw/zinc/59/48/01/377594801.db2.gz IHIXETOVECPGDM-GYSYKLTISA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251690748 377594809 /nfs/dbraw/zinc/59/48/09/377594809.db2.gz IHIXETOVECPGDM-GYSYKLTISA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251706498 377596254 /nfs/dbraw/zinc/59/62/54/377596254.db2.gz JEEXAWGKNBSYKS-JTNHKYCSSA-N 2 1 284.350 3.018 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC000251868340 377602335 /nfs/dbraw/zinc/60/23/35/377602335.db2.gz QJMQYKUGEWIUMP-HLLBOEOZSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)C1 ZINC000252108668 377615811 /nfs/dbraw/zinc/61/58/11/377615811.db2.gz JGPPXRLKEHKQHM-ZPGBFPTHSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252169292 377617816 /nfs/dbraw/zinc/61/78/16/377617816.db2.gz QYFBBOKDQUPUAO-UGUYLWEFSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252169292 377617822 /nfs/dbraw/zinc/61/78/22/377617822.db2.gz QYFBBOKDQUPUAO-UGUYLWEFSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251973012 377608131 /nfs/dbraw/zinc/60/81/31/377608131.db2.gz YGQNKJNEAYHSLZ-FVPDABNVSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251973012 377608137 /nfs/dbraw/zinc/60/81/37/377608137.db2.gz YGQNKJNEAYHSLZ-FVPDABNVSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252455450 377623783 /nfs/dbraw/zinc/62/37/83/377623783.db2.gz SQJUPKJVEOBVJZ-HZPDHXFCSA-N 2 1 278.440 3.455 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC[N@@H+]1C ZINC000252513282 377635833 /nfs/dbraw/zinc/63/58/33/377635833.db2.gz PIHXUNABCXDRDM-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC[N@H+]1C ZINC000252513282 377635839 /nfs/dbraw/zinc/63/58/39/377635839.db2.gz PIHXUNABCXDRDM-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@H]1Cc2ccccc2C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000342353709 377642499 /nfs/dbraw/zinc/64/24/99/377642499.db2.gz DZCVCIXIEVWOCL-ZWKOTPCHSA-N 2 1 272.436 3.308 20 0 CGADMP CC[C@H]1Cc2ccccc2C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000342353709 377642500 /nfs/dbraw/zinc/64/25/00/377642500.db2.gz DZCVCIXIEVWOCL-ZWKOTPCHSA-N 2 1 272.436 3.308 20 0 CGADMP CC[C@H]1Cc2ccccc2C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000342353709 377642504 /nfs/dbraw/zinc/64/25/04/377642504.db2.gz DZCVCIXIEVWOCL-ZWKOTPCHSA-N 2 1 272.436 3.308 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000252684877 377649944 /nfs/dbraw/zinc/64/99/44/377649944.db2.gz HGATXRWZSLDYEA-OIISXLGYSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000252684877 377649951 /nfs/dbraw/zinc/64/99/51/377649951.db2.gz HGATXRWZSLDYEA-OIISXLGYSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000253178826 377679827 /nfs/dbraw/zinc/67/98/27/377679827.db2.gz CEYIQWQBSDKRSI-SMDDNHRTSA-N 2 1 268.351 3.041 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253179973 377680200 /nfs/dbraw/zinc/68/02/00/377680200.db2.gz DCHGNUQTFYIYOI-YRGRVCCFSA-N 2 1 266.816 3.318 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000574924454 377725063 /nfs/dbraw/zinc/72/50/63/377725063.db2.gz NUFFDSXKWJZUIA-QGZVFWFLSA-N 2 1 299.418 3.198 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000574924454 377725071 /nfs/dbraw/zinc/72/50/71/377725071.db2.gz NUFFDSXKWJZUIA-QGZVFWFLSA-N 2 1 299.418 3.198 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(Cl)ccc1F ZINC000260134297 377806815 /nfs/dbraw/zinc/80/68/15/377806815.db2.gz QCPLRMWSPBJOTL-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H](C)[NH3+] ZINC000261546327 377816909 /nfs/dbraw/zinc/81/69/09/377816909.db2.gz KUNIWWLPRZXIDT-LSDHHAIUSA-N 2 1 284.403 3.091 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000261623345 377828782 /nfs/dbraw/zinc/82/87/82/377828782.db2.gz AIKJPSGQUCPLIU-MRXNPFEDSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000261623345 377828791 /nfs/dbraw/zinc/82/87/91/377828791.db2.gz AIKJPSGQUCPLIU-MRXNPFEDSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261702381 377841082 /nfs/dbraw/zinc/84/10/82/377841082.db2.gz OLFKGEOCCMEGOT-DZGBDDFRSA-N 2 1 298.352 3.436 20 0 CGADMP F[C@@]1(c2cccc(Cl)c2)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261634521 377830983 /nfs/dbraw/zinc/83/09/83/377830983.db2.gz CTRKESJAIPAFSY-INIZCTEOSA-N 2 1 296.817 3.210 20 0 CGADMP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858565 377839196 /nfs/dbraw/zinc/83/91/96/377839196.db2.gz AVYGQUWULUDNAT-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342858565 377839203 /nfs/dbraw/zinc/83/92/03/377839203.db2.gz AVYGQUWULUDNAT-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261681100 377839393 /nfs/dbraw/zinc/83/93/93/377839393.db2.gz IIIUGLSIMZFFPV-MOPGFXCFSA-N 2 1 280.415 3.169 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261918469 377867375 /nfs/dbraw/zinc/86/73/75/377867375.db2.gz KDWVHLLJLKLIAS-BMFZPTHFSA-N 2 1 290.476 3.348 20 0 CGADMP C[N@@H+](CCSCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261994116 377875512 /nfs/dbraw/zinc/87/55/12/377875512.db2.gz SSHCKKWSROSDBL-SJPCQFCGSA-N 2 1 290.476 3.135 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000261982378 377875754 /nfs/dbraw/zinc/87/57/54/377875754.db2.gz RNUKLBOBAGKFAG-GOEBONIOSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000261982378 377875761 /nfs/dbraw/zinc/87/57/61/377875761.db2.gz RNUKLBOBAGKFAG-GOEBONIOSA-N 2 1 299.418 3.209 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@]1(C)CC[NH2+]C1 ZINC000262005295 377878556 /nfs/dbraw/zinc/87/85/56/377878556.db2.gz LSIUQGPQLQKSCG-CQSZACIVSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@]1(C)CC[NH2+]C1 ZINC000262005295 377878562 /nfs/dbraw/zinc/87/85/62/377878562.db2.gz LSIUQGPQLQKSCG-CQSZACIVSA-N 2 1 287.234 3.425 20 0 CGADMP C[C@@]1(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]C1 ZINC000262007828 377878609 /nfs/dbraw/zinc/87/86/09/377878609.db2.gz LZIBISMKZBDBKN-GOEBONIOSA-N 2 1 278.827 3.129 20 0 CGADMP Cc1nc2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2s1 ZINC000261998042 377878942 /nfs/dbraw/zinc/87/89/42/377878942.db2.gz TUSORDLGTZPKPB-CYBMUJFWSA-N 2 1 289.448 3.166 20 0 CGADMP CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262037066 377883065 /nfs/dbraw/zinc/88/30/65/377883065.db2.gz XVCZNNIVWZIJQW-DOTOQJQBSA-N 2 1 260.425 3.254 20 0 CGADMP CCC[N@@H+](CCc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000262050789 377884727 /nfs/dbraw/zinc/88/47/27/377884727.db2.gz QEHKBXNIDPNAHW-OAHLLOKOSA-N 2 1 266.454 3.002 20 0 CGADMP CCC[N@@H+](Cc1ccc(OCC)c(F)c1)C1CC[NH2+]CC1 ZINC000261825419 377857734 /nfs/dbraw/zinc/85/77/34/377857734.db2.gz IRRVXSWJIKMSNK-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261827374 377859838 /nfs/dbraw/zinc/85/98/38/377859838.db2.gz ITSCGKQZLWWIRK-NEPJUHHUSA-N 2 1 266.816 3.072 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091636 377899662 /nfs/dbraw/zinc/89/96/62/377899662.db2.gz GZDGTYMHWLMYMW-HNNXBMFYSA-N 2 1 264.800 3.011 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000343541019 378012373 /nfs/dbraw/zinc/01/23/73/378012373.db2.gz WZGKFODWHFUJTM-KBPBESRZSA-N 2 1 251.418 3.386 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000575956531 378003438 /nfs/dbraw/zinc/00/34/38/378003438.db2.gz WQQMNPLIZLSLBX-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1C[C@@H]1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000578401702 378067194 /nfs/dbraw/zinc/06/71/94/378067194.db2.gz WMLZEPWEEZPCHR-DOTOQJQBSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000578401702 378067198 /nfs/dbraw/zinc/06/71/98/378067198.db2.gz WMLZEPWEEZPCHR-DOTOQJQBSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000268908504 378148950 /nfs/dbraw/zinc/14/89/50/378148950.db2.gz YIRXVHIRNFAVPK-INIZCTEOSA-N 2 1 275.371 3.462 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000269134589 378192030 /nfs/dbraw/zinc/19/20/30/378192030.db2.gz PFYLQOZPNFKFAD-UHFFFAOYSA-N 2 1 287.382 3.385 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000269134589 378192036 /nfs/dbraw/zinc/19/20/36/378192036.db2.gz PFYLQOZPNFKFAD-UHFFFAOYSA-N 2 1 287.382 3.385 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000269136427 378192708 /nfs/dbraw/zinc/19/27/08/378192708.db2.gz SFVDBRYHBZLPPB-UHFFFAOYSA-N 2 1 283.828 3.429 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000269136427 378192717 /nfs/dbraw/zinc/19/27/17/378192717.db2.gz SFVDBRYHBZLPPB-UHFFFAOYSA-N 2 1 283.828 3.429 20 0 CGADMP CCc1cccc(OCC[N@H+](CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000345174999 378213089 /nfs/dbraw/zinc/21/30/89/378213089.db2.gz DQAZRHIANWGRRU-QGZVFWFLSA-N 2 1 290.451 3.092 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000579557254 378171402 /nfs/dbraw/zinc/17/14/02/378171402.db2.gz FACRNUIPVODERM-HZPDHXFCSA-N 2 1 292.467 3.423 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000579557254 378171408 /nfs/dbraw/zinc/17/14/08/378171408.db2.gz FACRNUIPVODERM-HZPDHXFCSA-N 2 1 292.467 3.423 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579592165 378173902 /nfs/dbraw/zinc/17/39/02/378173902.db2.gz GOHQBLYBCGLYTQ-GOSISDBHSA-N 2 1 281.403 3.123 20 0 CGADMP CC(C)[C@@H](C[NH2+]CC1(C)CC1)[NH+]1CCC(C)CC1 ZINC000579663575 378179414 /nfs/dbraw/zinc/17/94/14/378179414.db2.gz XQEXPJYNCWWJJG-OAHLLOKOSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000582030432 378280742 /nfs/dbraw/zinc/28/07/42/378280742.db2.gz RFZKAAVQNXKNOD-WBVHZDCISA-N 2 1 260.425 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000582030432 378280749 /nfs/dbraw/zinc/28/07/49/378280749.db2.gz RFZKAAVQNXKNOD-WBVHZDCISA-N 2 1 260.425 3.254 20 0 CGADMP Clc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000269989111 378291284 /nfs/dbraw/zinc/29/12/84/378291284.db2.gz UFPFOZOLPKNBSO-RYUDHWBXSA-N 2 1 284.856 3.160 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000583872310 378353881 /nfs/dbraw/zinc/35/38/81/378353881.db2.gz YVPSAEKIRNQZFI-SFHVURJKSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1nccn1CCC[N@@H+](Cc1ccco1)C(C)C ZINC000270676935 378386314 /nfs/dbraw/zinc/38/63/14/378386314.db2.gz TYOXHUWKNODUGK-UHFFFAOYSA-N 2 1 261.369 3.085 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccco1)C(C)C ZINC000270676935 378386323 /nfs/dbraw/zinc/38/63/23/378386323.db2.gz TYOXHUWKNODUGK-UHFFFAOYSA-N 2 1 261.369 3.085 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000584457282 378386836 /nfs/dbraw/zinc/38/68/36/378386836.db2.gz WORXTZRHFRYNNG-RKVPGOIHSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cscn1 ZINC000271132332 378459676 /nfs/dbraw/zinc/45/96/76/378459676.db2.gz MDBWZYTTXNOSGK-GFCCVEGCSA-N 2 1 275.421 3.056 20 0 CGADMP COCc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271046550 378437487 /nfs/dbraw/zinc/43/74/87/378437487.db2.gz RFXVUJITUUPJMA-UHFFFAOYSA-N 2 1 290.451 3.138 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181772 378474194 /nfs/dbraw/zinc/47/41/94/378474194.db2.gz HXWJPZBGFYRCAR-WMLDXEAASA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181772 378474201 /nfs/dbraw/zinc/47/42/01/378474201.db2.gz HXWJPZBGFYRCAR-WMLDXEAASA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181772 378474207 /nfs/dbraw/zinc/47/42/07/378474207.db2.gz HXWJPZBGFYRCAR-WMLDXEAASA-N 2 1 285.435 3.330 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346149314 378480845 /nfs/dbraw/zinc/48/08/45/378480845.db2.gz WSFDEFYPMHUVPK-GFCCVEGCSA-N 2 1 261.394 3.166 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000346210782 378507059 /nfs/dbraw/zinc/50/70/59/378507059.db2.gz WCLGUUWWLWJCDF-GHMZBOCLSA-N 2 1 277.334 3.148 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000346320752 378543278 /nfs/dbraw/zinc/54/32/78/378543278.db2.gz ZCOKOJOZBHCFFA-SFHVURJKSA-N 2 1 283.419 3.146 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000346320752 378543284 /nfs/dbraw/zinc/54/32/84/378543284.db2.gz ZCOKOJOZBHCFFA-SFHVURJKSA-N 2 1 283.419 3.146 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000346299511 378536762 /nfs/dbraw/zinc/53/67/62/378536762.db2.gz BIBGNLSPUGDWGH-CYBMUJFWSA-N 2 1 275.371 3.414 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000346299511 378536767 /nfs/dbraw/zinc/53/67/67/378536767.db2.gz BIBGNLSPUGDWGH-CYBMUJFWSA-N 2 1 275.371 3.414 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347952071 378737275 /nfs/dbraw/zinc/73/72/75/378737275.db2.gz JUBOLRIJMVEXHA-LZLYRXPVSA-N 2 1 294.483 3.188 20 0 CGADMP CSC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847693 378727017 /nfs/dbraw/zinc/72/70/17/378727017.db2.gz PIHUKCCSTYSRDK-JKSUJKDBSA-N 2 1 296.524 3.468 20 0 CGADMP CSC1(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847693 378727022 /nfs/dbraw/zinc/72/70/22/378727022.db2.gz PIHUKCCSTYSRDK-JKSUJKDBSA-N 2 1 296.524 3.468 20 0 CGADMP CSC1(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847693 378727028 /nfs/dbraw/zinc/72/70/28/378727028.db2.gz PIHUKCCSTYSRDK-JKSUJKDBSA-N 2 1 296.524 3.468 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](C)CC(C)C ZINC000348038695 378761010 /nfs/dbraw/zinc/76/10/10/378761010.db2.gz IWYWAEUVSGLNFB-CQSZACIVSA-N 2 1 251.418 3.244 20 0 CGADMP CCOC1CC(C[NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000638302330 378762045 /nfs/dbraw/zinc/76/20/45/378762045.db2.gz SRLIIOADWLBVIE-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+](CCC[NH2+]CC1CCSCC1)Cc1ccccc1 ZINC000638308017 378764505 /nfs/dbraw/zinc/76/45/05/378764505.db2.gz HXFNNRFMZVQPFK-UHFFFAOYSA-N 2 1 292.492 3.241 20 0 CGADMP C([NH2+]C1CCC(=C2CCC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638359775 378778154 /nfs/dbraw/zinc/77/81/54/378778154.db2.gz RMLRDPOEHDSYMQ-AWEZNQCLSA-N 2 1 274.452 3.483 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC1(F)F ZINC000638367003 378780671 /nfs/dbraw/zinc/78/06/71/378780671.db2.gz RMBXBHPZKLELTF-IHRRRGAJSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000638366473 378781513 /nfs/dbraw/zinc/78/15/13/378781513.db2.gz PFGHEIXZGGHXPB-ZNMIVQPWSA-N 2 1 270.486 3.125 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000638443525 378804836 /nfs/dbraw/zinc/80/48/36/378804836.db2.gz NKZUAEFBEDIHPA-DLBZAZTESA-N 2 1 294.483 3.212 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000566529986 322128522 /nfs/dbraw/zinc/12/85/22/322128522.db2.gz ZGOGFCBPSBKTJC-UHFFFAOYSA-N 2 1 256.340 3.008 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000566529986 322128524 /nfs/dbraw/zinc/12/85/24/322128524.db2.gz ZGOGFCBPSBKTJC-UHFFFAOYSA-N 2 1 256.340 3.008 20 0 CGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346843538 218034900 /nfs/dbraw/zinc/03/49/00/218034900.db2.gz JWRGCPBLSWYVAT-ZBFHGGJFSA-N 2 1 292.854 3.347 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2(C(C)C)CC2)C1 ZINC000638566972 378837820 /nfs/dbraw/zinc/83/78/20/378837820.db2.gz UUQZSXACRXDTFA-HNNXBMFYSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348305080 378897555 /nfs/dbraw/zinc/89/75/55/378897555.db2.gz HYKWQTBUROLLHV-GXTWGEPZSA-N 2 1 281.469 3.215 20 0 CGADMP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348305080 378897558 /nfs/dbraw/zinc/89/75/58/378897558.db2.gz HYKWQTBUROLLHV-GXTWGEPZSA-N 2 1 281.469 3.215 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccsc2)CC1 ZINC000275043920 378929164 /nfs/dbraw/zinc/92/91/64/378929164.db2.gz YYQOKWBJJWBKEU-UHFFFAOYSA-N 2 1 275.421 3.133 20 0 CGADMP F[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000348342325 378918687 /nfs/dbraw/zinc/91/86/87/378918687.db2.gz ZHBRZGBUHNLEPA-RDJZCZTQSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@@H]1[NH3+] ZINC000347043454 218102640 /nfs/dbraw/zinc/10/26/40/218102640.db2.gz MVPYOHYMNONUEE-WBMJQRKESA-N 2 1 288.366 3.255 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@@H]1[NH3+] ZINC000347043454 218102641 /nfs/dbraw/zinc/10/26/41/218102641.db2.gz MVPYOHYMNONUEE-WBMJQRKESA-N 2 1 288.366 3.255 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000347055747 218106324 /nfs/dbraw/zinc/10/63/24/218106324.db2.gz UDESNAVJWGGFMD-QAPCUYQASA-N 2 1 290.451 3.425 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000347058545 218108385 /nfs/dbraw/zinc/10/83/85/218108385.db2.gz WQSKUCLWMDEUBL-GOEBONIOSA-N 2 1 288.435 3.035 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)CCCC2 ZINC000276611395 378966397 /nfs/dbraw/zinc/96/63/97/378966397.db2.gz GUHKYJZORCDQMT-AWEZNQCLSA-N 2 1 283.419 3.192 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000347093970 218119164 /nfs/dbraw/zinc/11/91/64/218119164.db2.gz GZRQGZXVJRHJGG-ZDUSSCGKSA-N 2 1 288.366 3.127 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000347093970 218119165 /nfs/dbraw/zinc/11/91/65/218119165.db2.gz GZRQGZXVJRHJGG-ZDUSSCGKSA-N 2 1 288.366 3.127 20 0 CGADMP CCCOc1cccc(C[N@@H+](CCC)C2CC[NH2+]CC2)c1 ZINC000347068367 218111300 /nfs/dbraw/zinc/11/13/00/218111300.db2.gz NSHPCHOTCJIONU-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347183354 218148135 /nfs/dbraw/zinc/14/81/35/218148135.db2.gz WPEZQXOAYSCLQT-MRXNPFEDSA-N 2 1 288.435 3.049 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347183354 218148138 /nfs/dbraw/zinc/14/81/38/218148138.db2.gz WPEZQXOAYSCLQT-MRXNPFEDSA-N 2 1 288.435 3.049 20 0 CGADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3ccsc32)CC1 ZINC000276982709 379036998 /nfs/dbraw/zinc/03/69/98/379036998.db2.gz FVVZSEQZDLOLNG-LBPRGKRZSA-N 2 1 275.421 3.217 20 0 CGADMP COc1cccc(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000639175710 379096241 /nfs/dbraw/zinc/09/62/41/379096241.db2.gz RRQRZMKLUMCFGY-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP COc1cccc(C)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000639175710 379096247 /nfs/dbraw/zinc/09/62/47/379096247.db2.gz RRQRZMKLUMCFGY-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177438 379096416 /nfs/dbraw/zinc/09/64/16/379096416.db2.gz DENFTDAQQAPOFJ-NXWXRZEISA-N 2 1 286.463 3.452 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177438 379096420 /nfs/dbraw/zinc/09/64/20/379096420.db2.gz DENFTDAQQAPOFJ-NXWXRZEISA-N 2 1 286.463 3.452 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177438 379096422 /nfs/dbraw/zinc/09/64/22/379096422.db2.gz DENFTDAQQAPOFJ-NXWXRZEISA-N 2 1 286.463 3.452 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177438 379096425 /nfs/dbraw/zinc/09/64/25/379096425.db2.gz DENFTDAQQAPOFJ-NXWXRZEISA-N 2 1 286.463 3.452 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1C[C@H]1C ZINC000348971237 379126845 /nfs/dbraw/zinc/12/68/45/379126845.db2.gz XYGDHRIEJJZBGB-RHSMWYFYSA-N 2 1 260.425 3.226 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)CC1 ZINC000277340113 379136069 /nfs/dbraw/zinc/13/60/69/379136069.db2.gz VZWPASDBCOAABE-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)CC1 ZINC000277340113 379136075 /nfs/dbraw/zinc/13/60/75/379136075.db2.gz VZWPASDBCOAABE-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP COc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1F ZINC000192662139 542266836 /nfs/dbraw/zinc/26/68/36/542266836.db2.gz SROXLMQASZQDRW-UHFFFAOYSA-N 2 1 294.414 3.233 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(C)cc1 ZINC000278852798 194183938 /nfs/dbraw/zinc/18/39/38/194183938.db2.gz AHGQKSQCIWIDDU-RDJZCZTQSA-N 2 1 283.419 3.495 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1C ZINC000349370779 379254400 /nfs/dbraw/zinc/25/44/00/379254400.db2.gz SIFPVOPNJQDWOL-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1C ZINC000349370779 379254405 /nfs/dbraw/zinc/25/44/05/379254405.db2.gz SIFPVOPNJQDWOL-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(COC)c1 ZINC000349386380 379263648 /nfs/dbraw/zinc/26/36/48/379263648.db2.gz SELIQIAQIFNHSA-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000349411431 379271497 /nfs/dbraw/zinc/27/14/97/379271497.db2.gz WZSNSHNJJWATMI-DLBZAZTESA-N 2 1 260.425 3.064 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2c(C)cc(C)nc2C)CC1 ZINC000639509586 379443361 /nfs/dbraw/zinc/44/33/61/379443361.db2.gz HBSJZLXOTYOREH-UHFFFAOYSA-N 2 1 289.467 3.313 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(C)nc2C)CC1 ZINC000639509586 379443373 /nfs/dbraw/zinc/44/33/73/379443373.db2.gz HBSJZLXOTYOREH-UHFFFAOYSA-N 2 1 289.467 3.313 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266917026 190290462 /nfs/dbraw/zinc/29/04/62/190290462.db2.gz KUZRDKYHEKGDSF-QWHCGFSZSA-N 2 1 273.355 3.489 20 0 CGADMP C[C@@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639758327 379572967 /nfs/dbraw/zinc/57/29/67/379572967.db2.gz UBYFBRDDIUVACJ-INIZCTEOSA-N 2 1 272.436 3.208 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000125249013 535456740 /nfs/dbraw/zinc/45/67/40/535456740.db2.gz UFYHWAFHABQUMQ-UHFFFAOYSA-N 2 1 264.388 3.050 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000125249013 535456742 /nfs/dbraw/zinc/45/67/42/535456742.db2.gz UFYHWAFHABQUMQ-UHFFFAOYSA-N 2 1 264.388 3.050 20 0 CGADMP CC(C)[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000280454053 379710027 /nfs/dbraw/zinc/71/00/27/379710027.db2.gz ZCEVEWGXTZWVSF-SFHVURJKSA-N 2 1 272.436 3.278 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000267467567 190332609 /nfs/dbraw/zinc/33/26/09/190332609.db2.gz WUIZNJVDSGTIIK-OAHLLOKOSA-N 2 1 292.386 3.338 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352243206 379756543 /nfs/dbraw/zinc/75/65/43/379756543.db2.gz YRQHAHUAALIGBE-GFCCVEGCSA-N 2 1 269.458 3.119 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(F)cc1 ZINC000352527340 379845213 /nfs/dbraw/zinc/84/52/13/379845213.db2.gz ZBNKTMDHKOAMOU-XJKSGUPXSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000382037747 379869677 /nfs/dbraw/zinc/86/96/77/379869677.db2.gz HADJYBMLPYQVTL-QZTJIDSGSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000382037747 379869682 /nfs/dbraw/zinc/86/96/82/379869682.db2.gz HADJYBMLPYQVTL-QZTJIDSGSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000382037747 379869684 /nfs/dbraw/zinc/86/96/84/379869684.db2.gz HADJYBMLPYQVTL-QZTJIDSGSA-N 2 1 272.436 3.096 20 0 CGADMP CCCCC[N@@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000378385269 379816882 /nfs/dbraw/zinc/81/68/82/379816882.db2.gz QNYJWRNFQKPTMP-UHFFFAOYSA-N 2 1 275.440 3.168 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000388103927 379880814 /nfs/dbraw/zinc/88/08/14/379880814.db2.gz FXFASJYUXIUVMX-DOTOQJQBSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000399863033 379945056 /nfs/dbraw/zinc/94/50/56/379945056.db2.gz FAXNSPCXZXDKEH-HUUCEWRRSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1C ZINC000399863033 379945062 /nfs/dbraw/zinc/94/50/62/379945062.db2.gz FAXNSPCXZXDKEH-HUUCEWRRSA-N 2 1 264.438 3.081 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000400339073 379949764 /nfs/dbraw/zinc/94/97/64/379949764.db2.gz GYRFMYKWPTUKSN-QMTHXVAHSA-N 2 1 287.234 3.266 20 0 CGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCF ZINC000282596468 379951598 /nfs/dbraw/zinc/95/15/98/379951598.db2.gz XNFNZFQOFZSHLP-MRXNPFEDSA-N 2 1 278.415 3.236 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCF ZINC000282596468 379951608 /nfs/dbraw/zinc/95/16/08/379951608.db2.gz XNFNZFQOFZSHLP-MRXNPFEDSA-N 2 1 278.415 3.236 20 0 CGADMP CSC1(C[NH2+]CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000347896643 218393778 /nfs/dbraw/zinc/39/37/78/218393778.db2.gz FZGONEDPSXUDSO-KBPBESRZSA-N 2 1 284.513 3.228 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283183107 380043432 /nfs/dbraw/zinc/04/34/32/380043432.db2.gz JZRTZTJKNBBUOA-WBAXXEDZSA-N 2 1 272.436 3.253 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283200483 380045003 /nfs/dbraw/zinc/04/50/03/380045003.db2.gz LGJGEEGJOUZZOZ-WBAXXEDZSA-N 2 1 283.419 3.363 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000353145193 380138569 /nfs/dbraw/zinc/13/85/69/380138569.db2.gz WGAMVMQPBYRNCR-KZNAEPCWSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000353145193 380138584 /nfs/dbraw/zinc/13/85/84/380138584.db2.gz WGAMVMQPBYRNCR-KZNAEPCWSA-N 2 1 272.436 3.254 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@H]3c3cccc(F)c3)CC[C@H]21 ZINC000411323233 380142153 /nfs/dbraw/zinc/14/21/53/380142153.db2.gz JEXMOMUKIVCAFD-SPUZQDLCSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]3c3cccc(F)c3)CC[C@H]21 ZINC000411323233 380142160 /nfs/dbraw/zinc/14/21/60/380142160.db2.gz JEXMOMUKIVCAFD-SPUZQDLCSA-N 2 1 288.410 3.098 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2oc(-c3ccccc3)nc2C)CC[C@@H]1[NH3+] ZINC000641800400 380111056 /nfs/dbraw/zinc/11/10/56/380111056.db2.gz ZRZVJFLNTXJEST-ZBFHGGJFSA-N 2 1 299.418 3.209 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000414200955 380201172 /nfs/dbraw/zinc/20/11/72/380201172.db2.gz XXYVIPRJLMMINX-RDJZCZTQSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000414199929 380202053 /nfs/dbraw/zinc/20/20/53/380202053.db2.gz XBVUEVPIVVOKOJ-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353171260 380153336 /nfs/dbraw/zinc/15/33/36/380153336.db2.gz HREARWDNDPTNJC-ZDUSSCGKSA-N 2 1 297.406 3.199 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000285998399 380157302 /nfs/dbraw/zinc/15/73/02/380157302.db2.gz ILKDEYTZLVKLGX-JKSUJKDBSA-N 2 1 275.440 3.163 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000353935200 380244521 /nfs/dbraw/zinc/24/45/21/380244521.db2.gz ZIBUAXHRFQDGLG-WBVHZDCISA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000353935200 380244525 /nfs/dbraw/zinc/24/45/25/380244525.db2.gz ZIBUAXHRFQDGLG-WBVHZDCISA-N 2 1 289.467 3.033 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000643057865 380208662 /nfs/dbraw/zinc/20/86/62/380208662.db2.gz NYTPLNQPHVLQMW-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643057856 380208759 /nfs/dbraw/zinc/20/87/59/380208759.db2.gz MLYWSGZHMZRJGQ-RDJZCZTQSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(C(F)(F)F)cc1 ZINC000643056237 380209240 /nfs/dbraw/zinc/20/92/40/380209240.db2.gz RWULHMNKXWVTLU-GFCCVEGCSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000353518074 380209770 /nfs/dbraw/zinc/20/97/70/380209770.db2.gz KPZVXVYNRDWCCL-WNHJNPCNSA-N 2 1 284.447 3.179 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353521995 380211268 /nfs/dbraw/zinc/21/12/68/380211268.db2.gz RHXIRGZMBXEDDG-NPJQDHAYSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@@H+]1C ZINC000414327295 380214119 /nfs/dbraw/zinc/21/41/19/380214119.db2.gz FYNYYHRRDYTDQG-BARDWOONSA-N 2 1 282.472 3.041 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@H+]1C ZINC000414327295 380214124 /nfs/dbraw/zinc/21/41/24/380214124.db2.gz FYNYYHRRDYTDQG-BARDWOONSA-N 2 1 282.472 3.041 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000643501499 380322714 /nfs/dbraw/zinc/32/27/14/380322714.db2.gz JDEUACPXFQRICC-HOCLYGCPSA-N 2 1 260.425 3.084 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000643502850 380326002 /nfs/dbraw/zinc/32/60/02/380326002.db2.gz TYWGLJAJPHWHND-BRWVUGGUSA-N 2 1 287.451 3.148 20 0 CGADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000643507910 380329888 /nfs/dbraw/zinc/32/98/88/380329888.db2.gz VYKFXACUOHSZKH-VXGBXAGGSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCOc2cccc(Cl)c2)CC[NH2+]1 ZINC000414672601 380364074 /nfs/dbraw/zinc/36/40/74/380364074.db2.gz AWUFXPBBPQZTFM-ZIAGYGMSSA-N 2 1 296.842 3.039 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2)C[C@@H]1C ZINC000354222741 380367362 /nfs/dbraw/zinc/36/73/62/380367362.db2.gz MHTIFODNXUMHJR-GOEBONIOSA-N 2 1 294.414 3.009 20 0 CGADMP CCCC[C@@H](CC)CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414771698 380396474 /nfs/dbraw/zinc/39/64/74/380396474.db2.gz AGYOJMUBPWJVPU-SJORKVTESA-N 2 1 296.499 3.280 20 0 CGADMP Fc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771769 380396640 /nfs/dbraw/zinc/39/66/40/380396640.db2.gz AMRHQRGEAKPIOL-STQMWFEESA-N 2 1 296.817 3.301 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000643525888 380340129 /nfs/dbraw/zinc/34/01/29/380340129.db2.gz GTDFRWBTPKTLIM-UONOGXRCSA-N 2 1 270.376 3.477 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000643527538 380342467 /nfs/dbraw/zinc/34/24/67/380342467.db2.gz OFJFLHFDKWPKBJ-XHDPSFHLSA-N 2 1 260.381 3.457 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000643528192 380344238 /nfs/dbraw/zinc/34/42/38/380344238.db2.gz FIZGANQYMSLDOX-CABCVRRESA-N 2 1 284.403 3.263 20 0 CGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528861 380345142 /nfs/dbraw/zinc/34/51/42/380345142.db2.gz QGKNOVWKMDOZDT-NEPJUHHUSA-N 2 1 289.448 3.425 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(-c2ccccc2)c1 ZINC000643528403 380345654 /nfs/dbraw/zinc/34/56/54/380345654.db2.gz IUYNQGJQRVRQSJ-ZIAGYGMSSA-N 2 1 254.377 3.351 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000414766486 380394729 /nfs/dbraw/zinc/39/47/29/380394729.db2.gz HQWIMPJTUZFAKC-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643529363 380347006 /nfs/dbraw/zinc/34/70/06/380347006.db2.gz YYHGLDLDDGROSQ-GWCFXTLKSA-N 2 1 274.330 3.339 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000354178742 380354719 /nfs/dbraw/zinc/35/47/19/380354719.db2.gz XSEQJKVTXUYICK-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000354178742 380354726 /nfs/dbraw/zinc/35/47/26/380354726.db2.gz XSEQJKVTXUYICK-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000354178742 380354733 /nfs/dbraw/zinc/35/47/33/380354733.db2.gz XSEQJKVTXUYICK-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000414812722 380423875 /nfs/dbraw/zinc/42/38/75/380423875.db2.gz LJORLOIXFKAFHT-HNNXBMFYSA-N 2 1 294.439 3.090 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414812641 380424157 /nfs/dbraw/zinc/42/41/57/380424157.db2.gz LDCJQPYFZCBUNI-SWLSCSKDSA-N 2 1 268.832 3.378 20 0 CGADMP COc1ccc(C2CCC([NH2+][C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000414813806 380425549 /nfs/dbraw/zinc/42/55/49/380425549.db2.gz RAQXGHGXMDWHKA-PVCYVWKFSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000414813979 380426336 /nfs/dbraw/zinc/42/63/36/380426336.db2.gz UYHQYNXCPWWXPX-LLVKDONJSA-N 2 1 287.432 3.330 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414818845 380429419 /nfs/dbraw/zinc/42/94/19/380429419.db2.gz WVHFXXWNJZBLNA-DOMZBBRYSA-N 2 1 252.377 3.036 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc2n1 ZINC000414841509 380447146 /nfs/dbraw/zinc/44/71/46/380447146.db2.gz NILHNWKLYWUPEI-INIZCTEOSA-N 2 1 271.408 3.006 20 0 CGADMP CC[C@@H](O)C[NH2+]CC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000644564496 380451753 /nfs/dbraw/zinc/45/17/53/380451753.db2.gz ZMNBYKBPAWTBTK-DOTOQJQBSA-N 2 1 292.467 3.257 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414780984 380400485 /nfs/dbraw/zinc/40/04/85/380400485.db2.gz MFWSIVOZCGSWDN-JKSUJKDBSA-N 2 1 294.389 3.446 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414787233 380404753 /nfs/dbraw/zinc/40/47/53/380404753.db2.gz BZWNIEJJXGEPJH-SFHVURJKSA-N 2 1 298.430 3.435 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414788266 380405193 /nfs/dbraw/zinc/40/51/93/380405193.db2.gz WMUCMYUVUWLKBN-FUHWJXTLSA-N 2 1 272.436 3.125 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000414800120 380413216 /nfs/dbraw/zinc/41/32/16/380413216.db2.gz RUFOYNFKDCUURM-IBGZPJMESA-N 2 1 298.430 3.339 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000414802583 380415848 /nfs/dbraw/zinc/41/58/48/380415848.db2.gz KRZMCDZONJQMNS-UHFFFAOYSA-N 2 1 270.376 3.306 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)C1CC1 ZINC000414802827 380416089 /nfs/dbraw/zinc/41/60/89/380416089.db2.gz NEVYINWZFWHQSE-OAHLLOKOSA-N 2 1 290.407 3.381 20 0 CGADMP c1ccc(OC2CCCC2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000414915922 380487327 /nfs/dbraw/zinc/48/73/27/380487327.db2.gz NNWAWBSGLFAPSJ-INIZCTEOSA-N 2 1 288.435 3.240 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414922647 380488775 /nfs/dbraw/zinc/48/87/75/380488775.db2.gz GHBKEFHHURDULY-NRSFXHEJSA-N 2 1 272.436 3.084 20 0 CGADMP Fc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414919975 380489590 /nfs/dbraw/zinc/48/95/90/380489590.db2.gz YDQKIXHTMBLJHK-AWEZNQCLSA-N 2 1 284.378 3.192 20 0 CGADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000414941750 380499574 /nfs/dbraw/zinc/49/95/74/380499574.db2.gz JGTLQMKMPAQBRK-ZDUSSCGKSA-N 2 1 272.417 3.275 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414871757 380466677 /nfs/dbraw/zinc/46/66/77/380466677.db2.gz VLSSHGQHAWBYRH-NOLJZWGESA-N 2 1 278.827 3.318 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000414875810 380470103 /nfs/dbraw/zinc/47/01/03/380470103.db2.gz JWEWHIXCIVMIPL-ROUUACIJSA-N 2 1 287.451 3.120 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)C1CCCCC1 ZINC000645112277 380585572 /nfs/dbraw/zinc/58/55/72/380585572.db2.gz GDSZFPBAAPLQLJ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)C1CCCCC1 ZINC000645112277 380585578 /nfs/dbraw/zinc/58/55/78/380585578.db2.gz GDSZFPBAAPLQLJ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)C1CCCCC1 ZINC000645112277 380585583 /nfs/dbraw/zinc/58/55/83/380585583.db2.gz GDSZFPBAAPLQLJ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)C1CCCCC1 ZINC000645112277 380585589 /nfs/dbraw/zinc/58/55/89/380585589.db2.gz GDSZFPBAAPLQLJ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP COc1cc(C[NH+]2CC=CCC2)cc(C[N@@H+]2CC=CCC2)c1 ZINC000645000081 380562301 /nfs/dbraw/zinc/56/23/01/380562301.db2.gz DMXAUZGCBURGTK-UHFFFAOYSA-N 2 1 298.430 3.219 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC12CC2 ZINC000417359428 380606899 /nfs/dbraw/zinc/60/68/99/380606899.db2.gz IPYAIZKWDHEFNG-NJAFHUGGSA-N 2 1 284.447 3.287 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000645474374 380686733 /nfs/dbraw/zinc/68/67/33/380686733.db2.gz OAKPDLWGHCTBLU-FPCVCCKLSA-N 2 1 250.430 3.172 20 0 CGADMP CCSCC[NH2+]C[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000355736996 380763934 /nfs/dbraw/zinc/76/39/34/380763934.db2.gz PSGGLCZDAANIBO-OAHLLOKOSA-N 2 1 272.502 3.230 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419360983 380813895 /nfs/dbraw/zinc/81/38/95/380813895.db2.gz AHIIOZPORBIRKM-MRXNPFEDSA-N 2 1 282.497 3.080 20 0 CGADMP CC(C)C[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304331 380845166 /nfs/dbraw/zinc/84/51/66/380845166.db2.gz ODQWEYIKZVJENX-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)CC[N@@H+]1C ZINC000356840446 380896281 /nfs/dbraw/zinc/89/62/81/380896281.db2.gz JFXKECLLNDFTFY-MIGQKNRLSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)CC[N@H+]1C ZINC000356840446 380896289 /nfs/dbraw/zinc/89/62/89/380896289.db2.gz JFXKECLLNDFTFY-MIGQKNRLSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)(C[NH2+]Cc1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000360180101 381468792 /nfs/dbraw/zinc/46/87/92/381468792.db2.gz GBYHZMUHJCSPDZ-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP C=Cc1ccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000361125622 381650831 /nfs/dbraw/zinc/65/08/31/381650831.db2.gz YHHFSSNDWWXZPD-UHFFFAOYSA-N 2 1 281.403 3.123 20 0 CGADMP CO[C@H](C)[C@H](C)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000361345258 381709819 /nfs/dbraw/zinc/70/98/19/381709819.db2.gz IHJAVAQEPVSACU-UXLLHSPISA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@H](C)[C@H](C)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000361345258 381709826 /nfs/dbraw/zinc/70/98/26/381709826.db2.gz IHJAVAQEPVSACU-UXLLHSPISA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCCC2)C[C@H]1C ZINC000361563196 381806371 /nfs/dbraw/zinc/80/63/71/381806371.db2.gz FGGFSPPYQLWZBW-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(OC)CCCCC2)C[C@H]1C ZINC000361563196 381806376 /nfs/dbraw/zinc/80/63/76/381806376.db2.gz FGGFSPPYQLWZBW-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(OC)CCCCC2)C[C@H]1C ZINC000361563196 381806380 /nfs/dbraw/zinc/80/63/80/381806380.db2.gz FGGFSPPYQLWZBW-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)Cc1cccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000226826576 542291750 /nfs/dbraw/zinc/29/17/50/542291750.db2.gz YNSOEJKDBKVXJF-YJBOKZPZSA-N 2 1 289.467 3.423 20 0 CGADMP Fc1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)[nH]c2c1 ZINC000362923172 382151116 /nfs/dbraw/zinc/15/11/16/382151116.db2.gz IGBFPEWTRDWBDU-ZBFHGGJFSA-N 2 1 287.382 3.023 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC000230126459 542303253 /nfs/dbraw/zinc/30/32/53/542303253.db2.gz TWKYPWZGCJWARK-FGTMMUONSA-N 2 1 270.420 3.123 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@H+](CCCCC3CCOCC3)C2)n1 ZINC000366844294 382319885 /nfs/dbraw/zinc/31/98/85/382319885.db2.gz IOWBYUSGZSVIKH-INIZCTEOSA-N 2 1 291.439 3.186 20 0 CGADMP CC(C)(C)SCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367252091 382340808 /nfs/dbraw/zinc/34/08/08/382340808.db2.gz KZOBWYSEYDPSNW-GOEBONIOSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367252091 382340814 /nfs/dbraw/zinc/34/08/14/382340814.db2.gz KZOBWYSEYDPSNW-GOEBONIOSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367252091 382340818 /nfs/dbraw/zinc/34/08/18/382340818.db2.gz KZOBWYSEYDPSNW-GOEBONIOSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367252091 382340823 /nfs/dbraw/zinc/34/08/23/382340823.db2.gz KZOBWYSEYDPSNW-GOEBONIOSA-N 2 1 296.524 3.467 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417255 542350021 /nfs/dbraw/zinc/35/00/21/542350021.db2.gz QPIVKKDIZWUJEO-FRFSOERESA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417255 542350024 /nfs/dbraw/zinc/35/00/24/542350024.db2.gz QPIVKKDIZWUJEO-FRFSOERESA-N 2 1 276.399 3.351 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000252788987 542350791 /nfs/dbraw/zinc/35/07/91/542350791.db2.gz UJDHJOHMKAGDPG-XIRDDKMYSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252723139 542351028 /nfs/dbraw/zinc/35/10/28/542351028.db2.gz STTWAAKSLLRSKK-SJLPKXTDSA-N 2 1 272.436 3.267 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000573699986 322402685 /nfs/dbraw/zinc/40/26/85/322402685.db2.gz SJNSOBCOGOCKHW-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000156941831 532967396 /nfs/dbraw/zinc/96/73/96/532967396.db2.gz ZUXCGWJNYKSSPO-OAHLLOKOSA-N 2 1 290.451 3.466 20 0 CGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335315041 208173824 /nfs/dbraw/zinc/17/38/24/208173824.db2.gz VKPDZZKLRJSKOB-ZDUSSCGKSA-N 2 1 291.439 3.109 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271815530 542366892 /nfs/dbraw/zinc/36/68/92/542366892.db2.gz BJRGEYNXFWODKM-ZDUSSCGKSA-N 2 1 276.449 3.321 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC(C)(C)[C@H]1C(C)C ZINC000353749583 220299708 /nfs/dbraw/zinc/29/97/08/220299708.db2.gz VQRHGALACVIXLN-QGZVFWFLSA-N 2 1 298.434 3.442 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2)C[C@@H]1C ZINC000353749630 220302743 /nfs/dbraw/zinc/30/27/43/220302743.db2.gz WFVNDZAVXXBYPI-BBRMVZONSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2)C[C@@H]1C ZINC000353749630 220302744 /nfs/dbraw/zinc/30/27/44/220302744.db2.gz WFVNDZAVXXBYPI-BBRMVZONSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(F)c2)C[C@@H]1C ZINC000353749630 220302745 /nfs/dbraw/zinc/30/27/45/220302745.db2.gz WFVNDZAVXXBYPI-BBRMVZONSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2)C[C@@H]1C ZINC000353749630 220302746 /nfs/dbraw/zinc/30/27/46/220302746.db2.gz WFVNDZAVXXBYPI-BBRMVZONSA-N 2 1 264.388 3.130 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000285645128 542387808 /nfs/dbraw/zinc/38/78/08/542387808.db2.gz MAAGTKNWPHFPFF-AWEZNQCLSA-N 2 1 286.423 3.101 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000285645128 542387811 /nfs/dbraw/zinc/38/78/11/542387811.db2.gz MAAGTKNWPHFPFF-AWEZNQCLSA-N 2 1 286.423 3.101 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000159295741 285191757 /nfs/dbraw/zinc/19/17/57/285191757.db2.gz WPVJLSVOLVVQIR-QGZVFWFLSA-N 2 1 288.435 3.283 20 0 CGADMP COCC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000449094896 533168847 /nfs/dbraw/zinc/16/88/47/533168847.db2.gz UWHYGPXWYCZSRG-KLAILNCOSA-N 2 1 296.499 3.292 20 0 CGADMP COCC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000449094896 533168856 /nfs/dbraw/zinc/16/88/56/533168856.db2.gz UWHYGPXWYCZSRG-KLAILNCOSA-N 2 1 296.499 3.292 20 0 CGADMP COC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423338932 285237944 /nfs/dbraw/zinc/23/79/44/285237944.db2.gz LFOCAPVVGODDDK-CVEARBPZSA-N 2 1 296.842 3.007 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)C[C@H]1c1ccccc1 ZINC000334520233 542458109 /nfs/dbraw/zinc/45/81/09/542458109.db2.gz NYXJOEYQJKBUMX-SOEBMCCKSA-N 2 1 276.399 3.302 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)C[C@H]1c1ccccc1 ZINC000334520233 542458113 /nfs/dbraw/zinc/45/81/13/542458113.db2.gz NYXJOEYQJKBUMX-SOEBMCCKSA-N 2 1 276.399 3.302 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000339073214 542486019 /nfs/dbraw/zinc/48/60/19/542486019.db2.gz AZWYLKKABWWSLJ-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000339076602 542486231 /nfs/dbraw/zinc/48/62/31/542486231.db2.gz UZAKKBRPOMXFBH-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000339065581 542486240 /nfs/dbraw/zinc/48/62/40/542486240.db2.gz APRSDBKNOSVPLB-HIFRSBDPSA-N 2 1 293.480 3.025 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000281514671 195271730 /nfs/dbraw/zinc/27/17/30/195271730.db2.gz HJNNNGSDVDYCSI-MSOLQXFVSA-N 2 1 299.462 3.268 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)CC(C)C)[C@H](C)C1 ZINC000499547898 285397045 /nfs/dbraw/zinc/39/70/45/285397045.db2.gz KLOUJLFAJIUZOL-OAGGEKHMSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)[C@H](C)C1 ZINC000499547898 285397047 /nfs/dbraw/zinc/39/70/47/285397047.db2.gz KLOUJLFAJIUZOL-OAGGEKHMSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)CC(C)C)[C@H](C)C1 ZINC000499547898 285397050 /nfs/dbraw/zinc/39/70/50/285397050.db2.gz KLOUJLFAJIUZOL-OAGGEKHMSA-N 2 1 254.462 3.331 20 0 CGADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc2c1 ZINC000423268937 533335845 /nfs/dbraw/zinc/33/58/45/533335845.db2.gz VJFJCMJCZGJSGU-ACJLOTCBSA-N 2 1 286.419 3.482 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1OC(F)F ZINC000423525212 533384756 /nfs/dbraw/zinc/38/47/56/533384756.db2.gz KFNZYJOCSVZTLD-LLVKDONJSA-N 2 1 284.350 3.081 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423353669 533402834 /nfs/dbraw/zinc/40/28/34/533402834.db2.gz BWVNDBZADZTBMJ-NXEZZACHSA-N 2 1 258.818 3.194 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423321061 533416812 /nfs/dbraw/zinc/41/68/12/533416812.db2.gz FXYMELVIEBCWKS-WMLDXEAASA-N 2 1 276.424 3.044 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1Cl ZINC000423319725 533425279 /nfs/dbraw/zinc/42/52/79/533425279.db2.gz DUQUQRKUOPMJGX-DOMZBBRYSA-N 2 1 266.816 3.380 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)s1 ZINC000424377472 533519318 /nfs/dbraw/zinc/51/93/18/533519318.db2.gz RGJMJLYIMPPCKN-OPRDCNLKSA-N 2 1 258.818 3.322 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189640 533519733 /nfs/dbraw/zinc/51/97/33/533519733.db2.gz PVRLXIGLFHCPNH-HNNXBMFYSA-N 2 1 277.456 3.366 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cnc2ccsc2c1 ZINC000423496451 533537378 /nfs/dbraw/zinc/53/73/78/533537378.db2.gz DWVQWUXPBGLJJY-IAQYHMDHSA-N 2 1 289.448 3.464 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cnc2ccsc2c1 ZINC000423403044 533546569 /nfs/dbraw/zinc/54/65/69/533546569.db2.gz XZCMTLNMBPZMAP-WZRBSPASSA-N 2 1 275.421 3.087 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c2ccccc12 ZINC000094692732 533556686 /nfs/dbraw/zinc/55/66/86/533556686.db2.gz HIEUOMSFLQPQJO-AWEZNQCLSA-N 2 1 284.403 3.019 20 0 CGADMP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Cl ZINC000086583794 533661909 /nfs/dbraw/zinc/66/19/09/533661909.db2.gz AJAMSEFABDNMPG-UHFFFAOYSA-N 2 1 296.842 3.314 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000449131764 533668682 /nfs/dbraw/zinc/66/86/82/533668682.db2.gz PIORZKIMBIIHPB-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000449131764 533668688 /nfs/dbraw/zinc/66/86/88/533668688.db2.gz PIORZKIMBIIHPB-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(F)cc1 ZINC000191480302 130242830 /nfs/dbraw/zinc/24/28/30/130242830.db2.gz GCTGCLMKXIEIJE-UHFFFAOYSA-N 2 1 289.398 3.497 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000191480302 130242833 /nfs/dbraw/zinc/24/28/33/130242833.db2.gz GCTGCLMKXIEIJE-UHFFFAOYSA-N 2 1 289.398 3.497 20 0 CGADMP [NH3+]CCC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000414739548 542638081 /nfs/dbraw/zinc/63/80/81/542638081.db2.gz IVRZJCALXQTWFX-CQSZACIVSA-N 2 1 252.789 3.216 20 0 CGADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000414739548 542638083 /nfs/dbraw/zinc/63/80/83/542638083.db2.gz IVRZJCALXQTWFX-CQSZACIVSA-N 2 1 252.789 3.216 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC000105442762 392289708 /nfs/dbraw/zinc/28/97/08/392289708.db2.gz VMOBSXDWIXLTHQ-GFCCVEGCSA-N 2 1 275.371 3.065 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC000105443174 392289803 /nfs/dbraw/zinc/28/98/03/392289803.db2.gz VFKXFIAQKODKBQ-JTQLQIEISA-N 2 1 283.828 3.332 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000361803607 392326996 /nfs/dbraw/zinc/32/69/96/392326996.db2.gz HPJGYNZZYWVEIH-DNVCBOLYSA-N 2 1 295.430 3.178 20 0 CGADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246825909 131098564 /nfs/dbraw/zinc/09/85/64/131098564.db2.gz AVLUKLVFLYIXOH-KYHPRHEASA-N 2 1 290.451 3.081 20 0 CGADMP Cc1cccc(OCC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000247486125 131103999 /nfs/dbraw/zinc/10/39/99/131103999.db2.gz RHHSFYPMAWHNPJ-WMZOPIPTSA-N 2 1 299.418 3.153 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000249374078 131120835 /nfs/dbraw/zinc/12/08/35/131120835.db2.gz HEJDPAZYIKFLFZ-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000250687006 131126198 /nfs/dbraw/zinc/12/61/98/131126198.db2.gz GIKZXOMBMQNCIX-KBPBESRZSA-N 2 1 278.465 3.242 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453108445 542679513 /nfs/dbraw/zinc/67/95/13/542679513.db2.gz NUCCNLXLRZZUMN-CVEARBPZSA-N 2 1 277.456 3.113 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)C[C@H]1c1ccccc1 ZINC000453226173 542681326 /nfs/dbraw/zinc/68/13/26/542681326.db2.gz XELMIZDHWILMHF-CABCVRRESA-N 2 1 282.378 3.457 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)C[C@H]1c1ccccc1 ZINC000453226173 542681328 /nfs/dbraw/zinc/68/13/28/542681328.db2.gz XELMIZDHWILMHF-CABCVRRESA-N 2 1 282.378 3.457 20 0 CGADMP CC(C)[NH2+]C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291162322 392458780 /nfs/dbraw/zinc/45/87/80/392458780.db2.gz MFRIBDMTNCAQII-IAGOWNOFSA-N 2 1 258.409 3.005 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371337773 392514132 /nfs/dbraw/zinc/51/41/32/392514132.db2.gz WFBTTZVBNIYCHW-NRKLIOEPSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371337774 392514255 /nfs/dbraw/zinc/51/42/55/392514255.db2.gz WFBTTZVBNIYCHW-UUAJXVIYSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166373819 392608931 /nfs/dbraw/zinc/60/89/31/392608931.db2.gz IARJLIPSYANWSW-JLSDUUJJSA-N 2 1 292.442 3.465 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166373819 392608934 /nfs/dbraw/zinc/60/89/34/392608934.db2.gz IARJLIPSYANWSW-JLSDUUJJSA-N 2 1 292.442 3.465 20 0 CGADMP Cc1cccc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000302241492 392613508 /nfs/dbraw/zinc/61/35/08/392613508.db2.gz OCPZZYKZWIMCDS-KBPBESRZSA-N 2 1 261.413 3.170 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000647330114 392674167 /nfs/dbraw/zinc/67/41/67/392674167.db2.gz CTFXLRHPFQTIRT-QGZVFWFLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479671 392735349 /nfs/dbraw/zinc/73/53/49/392735349.db2.gz PCCXVVPGZIGKLL-NZSAHSFTSA-N 2 1 286.463 3.329 20 0 CGADMP CC[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000647497443 392740605 /nfs/dbraw/zinc/74/06/05/392740605.db2.gz HXXRIEBYMKUOCW-GODGZLIPSA-N 2 1 280.362 3.037 20 0 CGADMP CC[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000647497443 392740610 /nfs/dbraw/zinc/74/06/10/392740610.db2.gz HXXRIEBYMKUOCW-GODGZLIPSA-N 2 1 280.362 3.037 20 0 CGADMP CC[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000647497444 392740778 /nfs/dbraw/zinc/74/07/78/392740778.db2.gz HXXRIEBYMKUOCW-KWTXBODISA-N 2 1 280.362 3.037 20 0 CGADMP CC[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000647497444 392740779 /nfs/dbraw/zinc/74/07/79/392740779.db2.gz HXXRIEBYMKUOCW-KWTXBODISA-N 2 1 280.362 3.037 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647499067 392742351 /nfs/dbraw/zinc/74/23/51/392742351.db2.gz YSMHLUGGSMDRHH-WBVHZDCISA-N 2 1 290.451 3.425 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(Cl)c(C)c2)CC[C@@H]1[NH3+] ZINC000647498669 392742575 /nfs/dbraw/zinc/74/25/75/392742575.db2.gz MLDXVSVZVJEDGT-HIFRSBDPSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C)c2)CC[C@@H]1[NH3+] ZINC000647498669 392742577 /nfs/dbraw/zinc/74/25/77/392742577.db2.gz MLDXVSVZVJEDGT-HIFRSBDPSA-N 2 1 266.816 3.208 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647499065 392742917 /nfs/dbraw/zinc/74/29/17/392742917.db2.gz YSMHLUGGSMDRHH-NVXWUHKLSA-N 2 1 290.451 3.425 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC000647543571 392759485 /nfs/dbraw/zinc/75/94/85/392759485.db2.gz PPSXVFMOVUZRNB-UONOGXRCSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1F ZINC000647543119 392759769 /nfs/dbraw/zinc/75/97/69/392759769.db2.gz HVDKZKPNMVWGJF-IRXDYDNUSA-N 2 1 290.426 3.346 20 0 CGADMP Fc1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543781 392761076 /nfs/dbraw/zinc/76/10/76/392761076.db2.gz RYUNEGRGAHEIQR-CABCVRRESA-N 2 1 294.389 3.176 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545686 392762332 /nfs/dbraw/zinc/76/23/32/392762332.db2.gz DEPPTUPYCFFLKM-IAGOWNOFSA-N 2 1 295.430 3.056 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1nc2c(s1)CCCC2 ZINC000333287002 392700016 /nfs/dbraw/zinc/70/00/16/392700016.db2.gz NNVMLCQMUXGGKS-YNEHKIRRSA-N 2 1 293.480 3.190 20 0 CGADMP CC[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000647936951 392837736 /nfs/dbraw/zinc/83/77/36/392837736.db2.gz NZNGBHMWLOXYLF-QFBILLFUSA-N 2 1 282.431 3.442 20 0 CGADMP CC[C@@H]1CN(c2[nH+]ccc3ccc(C)cc32)CC[C@@H]1[NH3+] ZINC000647707290 392787412 /nfs/dbraw/zinc/78/74/12/392787412.db2.gz AMPGATBJRUZXFU-CJNGLKHVSA-N 2 1 269.392 3.107 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000375637809 392797680 /nfs/dbraw/zinc/79/76/80/392797680.db2.gz DEPBDRJDZPYTIM-YJBOKZPZSA-N 2 1 272.436 3.287 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957084 392843133 /nfs/dbraw/zinc/84/31/33/392843133.db2.gz MSYGXTDOKNPYEL-MSOLQXFVSA-N 2 1 270.420 3.140 20 0 CGADMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)C1CCCC1 ZINC000647878517 392820556 /nfs/dbraw/zinc/82/05/56/392820556.db2.gz MSVFPGPETIZMMD-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP Fc1ccccc1CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647879600 392823239 /nfs/dbraw/zinc/82/32/39/392823239.db2.gz YHSDAWWGFMLZQT-HNNXBMFYSA-N 2 1 290.426 3.222 20 0 CGADMP c1ccc(CC[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000647884164 392824868 /nfs/dbraw/zinc/82/48/68/392824868.db2.gz VGRSJQROQGRXHX-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc([C@H]2c3ccccc3CC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647884598 392826096 /nfs/dbraw/zinc/82/60/96/392826096.db2.gz LZBAOFDQXFIDBU-UZLBHIALSA-N 2 1 292.426 3.244 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000647889323 392826806 /nfs/dbraw/zinc/82/68/06/392826806.db2.gz GAIHOTSIHKQTSI-ZWKOTPCHSA-N 2 1 274.452 3.248 20 0 CGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647884941 392826851 /nfs/dbraw/zinc/82/68/51/392826851.db2.gz OFPZVMJLNUQYRI-WBVHZDCISA-N 2 1 258.409 3.132 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903566 392828595 /nfs/dbraw/zinc/82/85/95/392828595.db2.gz MCMOWXRXHXSLCQ-STQMWFEESA-N 2 1 278.362 3.183 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647890101 392829054 /nfs/dbraw/zinc/82/90/54/392829054.db2.gz QHZAJTYNJYJELR-MJBXVCDLSA-N 2 1 280.843 3.373 20 0 CGADMP C[C@@H](CC[NH2+]Cc1scnc1C1CC1)[NH+]1CCCCC1 ZINC000487545988 542712635 /nfs/dbraw/zinc/71/26/35/542712635.db2.gz YZHDBOHLLQVDCB-ZDUSSCGKSA-N 2 1 293.480 3.375 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000381515937 392909751 /nfs/dbraw/zinc/90/97/51/392909751.db2.gz AHOXNGRIRAXLDL-PVOVEBIJSA-N 2 1 276.468 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCSc1ccc(Cl)cc1 ZINC000520247844 392914072 /nfs/dbraw/zinc/91/40/72/392914072.db2.gz GQFNZEYWXFFUQM-YPMHNXCESA-N 2 1 284.856 3.244 20 0 CGADMP CCC1CCC([N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2CC2)CC1 ZINC000647959885 392846397 /nfs/dbraw/zinc/84/63/97/392846397.db2.gz SUZQMXIRBSGAIM-LEOMRAHMSA-N 2 1 296.499 3.121 20 0 CGADMP CCC1CCC([NH+](C[C@H](O)C[N@H+](C)C(C)C)C2CC2)CC1 ZINC000647959885 392846401 /nfs/dbraw/zinc/84/64/01/392846401.db2.gz SUZQMXIRBSGAIM-LEOMRAHMSA-N 2 1 296.499 3.121 20 0 CGADMP CCC1CCC([NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2CC2)CC1 ZINC000647959885 392846406 /nfs/dbraw/zinc/84/64/06/392846406.db2.gz SUZQMXIRBSGAIM-LEOMRAHMSA-N 2 1 296.499 3.121 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997428 392860094 /nfs/dbraw/zinc/86/00/94/392860094.db2.gz CAFZLOKRLKXNFW-QGZVFWFLSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000336811454 392869650 /nfs/dbraw/zinc/86/96/50/392869650.db2.gz NBIRLOUHJTUPEV-OEUWWYETSA-N 2 1 258.409 3.307 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000336811454 392869652 /nfs/dbraw/zinc/86/96/52/392869652.db2.gz NBIRLOUHJTUPEV-OEUWWYETSA-N 2 1 258.409 3.307 20 0 CGADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(Oc4ccccc4)o3)C[C@H]2C1 ZINC000194542061 392927462 /nfs/dbraw/zinc/92/74/62/392927462.db2.gz WVIVGTGRHFZNRJ-GASCZTMLSA-N 2 1 298.386 3.065 20 0 CGADMP C[C@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459416207 392943871 /nfs/dbraw/zinc/94/38/71/392943871.db2.gz SPGACLMIVUSMIE-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000194852766 392942137 /nfs/dbraw/zinc/94/21/37/392942137.db2.gz APQBUXQSYSWRDO-XHSDSOJGSA-N 2 1 290.451 3.411 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000194852766 392942143 /nfs/dbraw/zinc/94/21/43/392942143.db2.gz APQBUXQSYSWRDO-XHSDSOJGSA-N 2 1 290.451 3.411 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CC1(F)CC1 ZINC000525991188 392952939 /nfs/dbraw/zinc/95/29/39/392952939.db2.gz IHOHOWXIXAHIPG-UHFFFAOYSA-N 2 1 264.388 3.119 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCCCF)C[C@H]1c1ccccc1 ZINC000340389427 392972552 /nfs/dbraw/zinc/97/25/52/392972552.db2.gz NFJLQPSESMHOOX-HOTGVXAUSA-N 2 1 264.388 3.161 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCCF)C[C@H]1c1ccccc1 ZINC000340389427 392972556 /nfs/dbraw/zinc/97/25/56/392972556.db2.gz NFJLQPSESMHOOX-HOTGVXAUSA-N 2 1 264.388 3.161 20 0 CGADMP CCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340190482 392965294 /nfs/dbraw/zinc/96/52/94/392965294.db2.gz HBHUAAKOFZYIRY-QZTJIDSGSA-N 2 1 290.451 3.228 20 0 CGADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340190482 392965299 /nfs/dbraw/zinc/96/52/99/392965299.db2.gz HBHUAAKOFZYIRY-QZTJIDSGSA-N 2 1 290.451 3.228 20 0 CGADMP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC[N@H+]2C1 ZINC000226869604 393016220 /nfs/dbraw/zinc/01/62/20/393016220.db2.gz CCDYGIJDJUPNKJ-BBWFWOEESA-N 2 1 292.467 3.085 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CCO1 ZINC000648448140 393022479 /nfs/dbraw/zinc/02/24/79/393022479.db2.gz FFBNAVBJTHECDL-MSOLQXFVSA-N 2 1 290.451 3.186 20 0 CGADMP CCCC1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000415003241 393087330 /nfs/dbraw/zinc/08/73/30/393087330.db2.gz OQHVMODIVRIQBS-MOKVOYLWSA-N 2 1 274.399 3.180 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415002473 393087486 /nfs/dbraw/zinc/08/74/86/393087486.db2.gz NLMIVNSVSTXBSS-JKSUJKDBSA-N 2 1 296.405 3.232 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)[C@H](C)[NH3+] ZINC000415006607 393090009 /nfs/dbraw/zinc/09/00/09/393090009.db2.gz KQWUGNKCOONQSD-UONOGXRCSA-N 2 1 254.377 3.179 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346819584 393095876 /nfs/dbraw/zinc/09/58/76/393095876.db2.gz HPKDLPHSKURJBV-TZMCWYRMSA-N 2 1 264.438 3.057 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)[C@H](C)[NH3+] ZINC000415017314 393098368 /nfs/dbraw/zinc/09/83/68/393098368.db2.gz POUWZWZIGGGCOC-QWHCGFSZSA-N 2 1 288.366 3.443 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C)[C@H](C)C1 ZINC000467432863 393100215 /nfs/dbraw/zinc/10/02/15/393100215.db2.gz FZNBKMXECNUSQI-BDXSIMOUSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000414675342 393050177 /nfs/dbraw/zinc/05/01/77/393050177.db2.gz FTBVFLMNUULHTK-NXHRZFHOSA-N 2 1 272.436 3.082 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778510 393055111 /nfs/dbraw/zinc/05/51/11/393055111.db2.gz IYLHTZICZOTSRO-LSDHHAIUSA-N 2 1 278.827 3.162 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415036214 393107576 /nfs/dbraw/zinc/10/75/76/393107576.db2.gz FNCLZANRFRKWDI-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414967215 393070731 /nfs/dbraw/zinc/07/07/31/393070731.db2.gz HDLSRKJCPITVQO-CYBMUJFWSA-N 2 1 287.234 3.471 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346149100 393076165 /nfs/dbraw/zinc/07/61/65/393076165.db2.gz LNWXBIIQSNNBFT-MRXNPFEDSA-N 2 1 284.407 3.340 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000415044314 393110800 /nfs/dbraw/zinc/11/08/00/393110800.db2.gz BQOUMCZRUVEXQI-LRDDRELGSA-N 2 1 264.388 3.036 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000415052883 393114449 /nfs/dbraw/zinc/11/44/49/393114449.db2.gz ISRJRQJZILTQER-AWEZNQCLSA-N 2 1 266.454 3.262 20 0 CGADMP Clc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052237 393115448 /nfs/dbraw/zinc/11/54/48/393115448.db2.gz MVUWBNHXNMKNPJ-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052237 393115455 /nfs/dbraw/zinc/11/54/55/393115455.db2.gz MVUWBNHXNMKNPJ-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057371 393119508 /nfs/dbraw/zinc/11/95/08/393119508.db2.gz UAMOVTRFYOFTPX-QQSUMNJZSA-N 2 1 270.420 3.164 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415059480 393120197 /nfs/dbraw/zinc/12/01/97/393120197.db2.gz WZFNGLFDWKCHOB-NJAFHUGGSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H](C[NH3+])C3CCCC3)ccc2n1 ZINC000415063032 393121365 /nfs/dbraw/zinc/12/13/65/393121365.db2.gz GQGFFARZQZVQLN-GOSISDBHSA-N 2 1 283.419 3.150 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000415059535 393121680 /nfs/dbraw/zinc/12/16/80/393121680.db2.gz YIXYALMJTODLCK-MJVIPROJSA-N 2 1 286.341 3.230 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000415059535 393121684 /nfs/dbraw/zinc/12/16/84/393121684.db2.gz YIXYALMJTODLCK-MJVIPROJSA-N 2 1 286.341 3.230 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063690 393123593 /nfs/dbraw/zinc/12/35/93/393123593.db2.gz ITYQVVBQDKGPFF-GRDNDAEWSA-N 2 1 260.425 3.286 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000415088770 393140392 /nfs/dbraw/zinc/14/03/92/393140392.db2.gz XXLQTVFSYAOGJA-OWSLCNJRSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415088382 393140831 /nfs/dbraw/zinc/14/08/31/393140831.db2.gz LXHGRNBMTQLVTR-RISCZKNCSA-N 2 1 286.341 3.151 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415134189 393156388 /nfs/dbraw/zinc/15/63/88/393156388.db2.gz VTMJDDVKIQKINU-DOTOQJQBSA-N 2 1 290.451 3.138 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000353534836 393225862 /nfs/dbraw/zinc/22/58/62/393225862.db2.gz UVQALAZTEBBEDE-RRFJBIMHSA-N 2 1 250.430 3.029 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000353927459 393235467 /nfs/dbraw/zinc/23/54/67/393235467.db2.gz JAWOATSTXZXIHO-OKZBNKHCSA-N 2 1 296.499 3.293 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC(C)(C)c3ccccc3)C2)C1 ZINC000646243125 393246167 /nfs/dbraw/zinc/24/61/67/393246167.db2.gz AICMTJFCOAPOMC-LJQANCHMSA-N 2 1 286.463 3.382 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(C)(C)c3ccccc3)C2)C1 ZINC000646243125 393246173 /nfs/dbraw/zinc/24/61/73/393246173.db2.gz AICMTJFCOAPOMC-LJQANCHMSA-N 2 1 286.463 3.382 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268856555 393205856 /nfs/dbraw/zinc/20/58/56/393205856.db2.gz IKKMFYXLNXLYJG-SRABZTEZSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268856555 393205865 /nfs/dbraw/zinc/20/58/65/393205865.db2.gz IKKMFYXLNXLYJG-SRABZTEZSA-N 2 1 258.409 3.038 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000475347777 393394927 /nfs/dbraw/zinc/39/49/27/393394927.db2.gz JJUFWQZJZKTXNQ-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000356268283 393401487 /nfs/dbraw/zinc/40/14/87/393401487.db2.gz YHMUPPUEJBERIF-MRXNPFEDSA-N 2 1 277.456 3.033 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000356268283 393401491 /nfs/dbraw/zinc/40/14/91/393401491.db2.gz YHMUPPUEJBERIF-MRXNPFEDSA-N 2 1 277.456 3.033 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000474822034 393351703 /nfs/dbraw/zinc/35/17/03/393351703.db2.gz NPYGTTYDUBKNBB-IVSAIRAKSA-N 2 1 290.451 3.260 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000474822034 393351706 /nfs/dbraw/zinc/35/17/06/393351706.db2.gz NPYGTTYDUBKNBB-IVSAIRAKSA-N 2 1 290.451 3.260 20 0 CGADMP [NH3+]CCCCNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000420244767 393442796 /nfs/dbraw/zinc/44/27/96/393442796.db2.gz ZAKMIFXQMOHIFN-UHFFFAOYSA-N 2 1 267.735 3.178 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@H]21 ZINC000420302769 393457777 /nfs/dbraw/zinc/45/77/77/393457777.db2.gz GNMPUMDGABGWLD-PILAGYSTSA-N 2 1 288.410 3.262 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420310917 393459130 /nfs/dbraw/zinc/45/91/30/393459130.db2.gz VJTKWDVPJIRDIT-CPUCHLNUSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420311423 393459380 /nfs/dbraw/zinc/45/93/80/393459380.db2.gz HBVLPPMTQVBABH-JSGCOSHPSA-N 2 1 281.469 3.142 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1nc(C2CC2)cs1)CC1CCCC1 ZINC000420315785 393460695 /nfs/dbraw/zinc/46/06/95/393460695.db2.gz MOQOFFUBQUWYTE-UHFFFAOYSA-N 2 1 293.480 3.362 20 0 CGADMP [NH3+]CCC[N@H+](Cc1nc(C2CC2)cs1)CC1CCCC1 ZINC000420315785 393460706 /nfs/dbraw/zinc/46/07/06/393460706.db2.gz MOQOFFUBQUWYTE-UHFFFAOYSA-N 2 1 293.480 3.362 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000420312382 393461420 /nfs/dbraw/zinc/46/14/20/393461420.db2.gz WVPCMNCQMKQGTE-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cocn2)C[N@H+]1Cc1ccccc1 ZINC000428869064 393466261 /nfs/dbraw/zinc/46/62/61/393466261.db2.gz CCHGOUDDNIBMGU-DOTOQJQBSA-N 2 1 299.418 3.065 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420319891 393466531 /nfs/dbraw/zinc/46/65/31/393466531.db2.gz AVSHYOOFICFEPL-ZWKOTPCHSA-N 2 1 272.436 3.071 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420324353 393467649 /nfs/dbraw/zinc/46/76/49/393467649.db2.gz VBJSLUDZVJPFNP-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420326834 393468829 /nfs/dbraw/zinc/46/88/29/393468829.db2.gz XWFKCONGFAETRY-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329677 393469756 /nfs/dbraw/zinc/46/97/56/393469756.db2.gz OROZAEWRFBWMAT-MGPQQGTHSA-N 2 1 294.389 3.347 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356442 393472742 /nfs/dbraw/zinc/47/27/42/393472742.db2.gz CXRAVLOEPHWPFH-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000429527601 393474557 /nfs/dbraw/zinc/47/45/57/393474557.db2.gz MVEMSXQFVBXXGN-RDJZCZTQSA-N 2 1 294.483 3.188 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000429527601 393474564 /nfs/dbraw/zinc/47/45/64/393474564.db2.gz MVEMSXQFVBXXGN-RDJZCZTQSA-N 2 1 294.483 3.188 20 0 CGADMP CCc1cccc(OCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429541065 393475265 /nfs/dbraw/zinc/47/52/65/393475265.db2.gz YRWANOWXZAZHPX-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP CCc1cccc(OCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429541065 393475270 /nfs/dbraw/zinc/47/52/70/393475270.db2.gz YRWANOWXZAZHPX-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP CCc1ccc(CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429534052 393475961 /nfs/dbraw/zinc/47/59/61/393475961.db2.gz YJTIPTSIJSYHBH-SFHVURJKSA-N 2 1 274.452 3.208 20 0 CGADMP C[NH2+]CCC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000420372693 393476266 /nfs/dbraw/zinc/47/62/66/393476266.db2.gz LTKZQMPYZWVDCR-GOEBONIOSA-N 2 1 276.424 3.078 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000420371069 393476311 /nfs/dbraw/zinc/47/63/11/393476311.db2.gz KCUFLSUFFUKLFY-SFHVURJKSA-N 2 1 268.404 3.284 20 0 CGADMP C[NH2+]CCC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000420372694 393476864 /nfs/dbraw/zinc/47/68/64/393476864.db2.gz LTKZQMPYZWVDCR-HOCLYGCPSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488419656 393506482 /nfs/dbraw/zinc/50/64/82/393506482.db2.gz HIEIOKRISUPWRV-ILXRZTDVSA-N 2 1 284.513 3.228 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H]1C[C@H]1C ZINC000488422778 393507440 /nfs/dbraw/zinc/50/74/40/393507440.db2.gz YXSQHCRYYZNVCA-RHSMWYFYSA-N 2 1 260.425 3.272 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000488428899 393509751 /nfs/dbraw/zinc/50/97/51/393509751.db2.gz ZSKMEDNCVUNGCE-HIFRSBDPSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000488438176 393513482 /nfs/dbraw/zinc/51/34/82/393513482.db2.gz FUTVCJKZSSLMFM-WXLSXGNJSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000488438176 393513486 /nfs/dbraw/zinc/51/34/86/393513486.db2.gz FUTVCJKZSSLMFM-WXLSXGNJSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccccc2C)CCC1 ZINC000649644849 393522335 /nfs/dbraw/zinc/52/23/35/393522335.db2.gz VDNQKYJFYLNYSN-UHFFFAOYSA-N 2 1 269.392 3.169 20 0 CGADMP Cc1cc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC000430147237 393530245 /nfs/dbraw/zinc/53/02/45/393530245.db2.gz KVVLZUGKMXIICB-SFHVURJKSA-N 2 1 272.436 3.139 20 0 CGADMP CC1=C[C@H](C)C[NH+](C/C=C/C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263367 393552531 /nfs/dbraw/zinc/55/25/31/393552531.db2.gz NSTQAQQZOLJZJF-KAWBWNIXSA-N 2 1 274.452 3.339 20 0 CGADMP Cc1nccn1CCC[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000359576404 393553384 /nfs/dbraw/zinc/55/33/84/393553384.db2.gz AFFPLFDIJUFHFR-KRWDZBQOSA-N 2 1 297.446 3.319 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000359576404 393553387 /nfs/dbraw/zinc/55/33/87/393553387.db2.gz AFFPLFDIJUFHFR-KRWDZBQOSA-N 2 1 297.446 3.319 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000359576404 393553391 /nfs/dbraw/zinc/55/33/91/393553391.db2.gz AFFPLFDIJUFHFR-KRWDZBQOSA-N 2 1 297.446 3.319 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000623657276 542780603 /nfs/dbraw/zinc/78/06/03/542780603.db2.gz MQJNDRZMAITAHE-AWEZNQCLSA-N 2 1 282.378 3.446 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000360014705 393558341 /nfs/dbraw/zinc/55/83/41/393558341.db2.gz JELCVQKEXFZATC-IAGOWNOFSA-N 2 1 283.419 3.117 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666769919 542814549 /nfs/dbraw/zinc/81/45/49/542814549.db2.gz HGINPRDZOZMFMG-DOTOQJQBSA-N 2 1 260.425 3.048 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666769921 542814666 /nfs/dbraw/zinc/81/46/66/542814666.db2.gz HGINPRDZOZMFMG-RDJZCZTQSA-N 2 1 260.425 3.048 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770749 542814703 /nfs/dbraw/zinc/81/47/03/542814703.db2.gz VBMNZYVSOKOWKE-NWDGAFQWSA-N 2 1 286.872 3.454 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc2cnccc2c1)C1CCCCC1 ZINC000666801263 542817144 /nfs/dbraw/zinc/81/71/44/542817144.db2.gz FDCICBHLMMNFLU-SFHVURJKSA-N 2 1 283.419 3.232 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000666853149 542820480 /nfs/dbraw/zinc/82/04/80/542820480.db2.gz QPXYOVFYMYYQCE-ZIAGYGMSSA-N 2 1 287.432 3.170 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000666853142 542821104 /nfs/dbraw/zinc/82/11/04/542821104.db2.gz QPXYOVFYMYYQCE-KBPBESRZSA-N 2 1 287.432 3.170 20 0 CGADMP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C2CC2)c1 ZINC000421318772 393602598 /nfs/dbraw/zinc/60/25/98/393602598.db2.gz HYKXMSSHHMNOCO-QGZVFWFLSA-N 2 1 284.447 3.482 20 0 CGADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C2CC2)c1 ZINC000421318772 393602600 /nfs/dbraw/zinc/60/26/00/393602600.db2.gz HYKXMSSHHMNOCO-QGZVFWFLSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000430610594 393579859 /nfs/dbraw/zinc/57/98/59/393579859.db2.gz LGFWNXPGRUTYAE-MRXNPFEDSA-N 2 1 298.430 3.150 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430631370 393581857 /nfs/dbraw/zinc/58/18/57/393581857.db2.gz BBUVBZWQFJBPNY-MRXNPFEDSA-N 2 1 298.430 3.279 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419933 393611572 /nfs/dbraw/zinc/61/15/72/393611572.db2.gz HHFUMLRGIOEXAW-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419933 393611578 /nfs/dbraw/zinc/61/15/78/393611578.db2.gz HHFUMLRGIOEXAW-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2ccsc2)CC1 ZINC000360966597 393627323 /nfs/dbraw/zinc/62/73/23/393627323.db2.gz RWPRSUXQPKWGBH-UHFFFAOYSA-N 2 1 266.454 3.097 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccsc2)CC1 ZINC000360966597 393627326 /nfs/dbraw/zinc/62/73/26/393627326.db2.gz RWPRSUXQPKWGBH-UHFFFAOYSA-N 2 1 266.454 3.097 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2cccc(F)c2)CC1 ZINC000490068955 393630420 /nfs/dbraw/zinc/63/04/20/393630420.db2.gz VKTPCNZYNQUTBU-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2cccc(F)c2)CC1 ZINC000490068955 393630421 /nfs/dbraw/zinc/63/04/21/393630421.db2.gz VKTPCNZYNQUTBU-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090768 393631646 /nfs/dbraw/zinc/63/16/46/393631646.db2.gz OHCQVQSVLFXEEO-ZFWWWQNUSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090768 393631650 /nfs/dbraw/zinc/63/16/50/393631650.db2.gz OHCQVQSVLFXEEO-ZFWWWQNUSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090768 393631651 /nfs/dbraw/zinc/63/16/51/393631651.db2.gz OHCQVQSVLFXEEO-ZFWWWQNUSA-N 2 1 296.405 3.312 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422712983 393640680 /nfs/dbraw/zinc/64/06/80/393640680.db2.gz JGBDMFASXANWMY-MELADBBJSA-N 2 1 261.413 3.360 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])C2CC2)c2sccc21 ZINC000423278395 393658832 /nfs/dbraw/zinc/65/88/32/393658832.db2.gz PUJFNYXEDZHWJL-OASPWFOLSA-N 2 1 250.411 3.013 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423304444 393659972 /nfs/dbraw/zinc/65/99/72/393659972.db2.gz YVADLEMJCWTFSJ-IRXDYDNUSA-N 2 1 260.425 3.115 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423440708 393667881 /nfs/dbraw/zinc/66/78/81/393667881.db2.gz AWUQMODXXZQNGG-GXTWGEPZSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(CCC2)C1 ZINC000448071331 393868009 /nfs/dbraw/zinc/86/80/09/393868009.db2.gz WBJDLGDEASDDQQ-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(CCC2)C1 ZINC000448071331 393868013 /nfs/dbraw/zinc/86/80/13/393868013.db2.gz WBJDLGDEASDDQQ-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000502890113 393887110 /nfs/dbraw/zinc/88/71/10/393887110.db2.gz IJLWIAZDWNKKPM-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[C@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000502890113 393887115 /nfs/dbraw/zinc/88/71/15/393887115.db2.gz IJLWIAZDWNKKPM-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[C@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000502890113 393887118 /nfs/dbraw/zinc/88/71/18/393887118.db2.gz IJLWIAZDWNKKPM-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccc2cn1 ZINC000666969004 542830457 /nfs/dbraw/zinc/83/04/57/542830457.db2.gz UKRFSHJPKXBVGP-OALUTQOASA-N 2 1 295.430 3.199 20 0 CGADMP Cc1cc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2c(C)c1 ZINC000449559858 393903155 /nfs/dbraw/zinc/90/31/55/393903155.db2.gz CYWXNPLRGMKRIL-ZXFUBFMLSA-N 2 1 297.446 3.500 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2COCC2(C)C)cc1 ZINC000449621948 393923679 /nfs/dbraw/zinc/92/36/79/393923679.db2.gz BMIDYVNTCUTIML-SUMWQHHRSA-N 2 1 299.418 3.256 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000453074087 394162138 /nfs/dbraw/zinc/16/21/38/394162138.db2.gz OCZRCLKPROEWDK-HNNXBMFYSA-N 2 1 287.451 3.009 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000453080425 394164249 /nfs/dbraw/zinc/16/42/49/394164249.db2.gz LTZNZXSWBBITNQ-ZFWWWQNUSA-N 2 1 296.480 3.244 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453109426 394174328 /nfs/dbraw/zinc/17/43/28/394174328.db2.gz PLHCNTPTSMCIRN-YOEHRIQHSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)C1CC1 ZINC000453389466 394227865 /nfs/dbraw/zinc/22/78/65/394227865.db2.gz CMOHBQJSIFMRJH-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000453395987 394231213 /nfs/dbraw/zinc/23/12/13/394231213.db2.gz IKLTXQDBPSZARH-CVEARBPZSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C1CC1 ZINC000453402766 394234579 /nfs/dbraw/zinc/23/45/79/394234579.db2.gz NUPDWYVLYOYSEP-RYQLBKOJSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccsc1 ZINC000453420139 394241717 /nfs/dbraw/zinc/24/17/17/394241717.db2.gz ZGMISQFICUWIPN-LBPRGKRZSA-N 2 1 252.427 3.273 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C/c1ccc(F)c(F)c1)C1CC1 ZINC000453594336 394252687 /nfs/dbraw/zinc/25/26/87/394252687.db2.gz IBFYFAAAQFLCOZ-SNAWJCMRSA-N 2 1 294.389 3.442 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667912175 542944352 /nfs/dbraw/zinc/94/43/52/542944352.db2.gz ACEZGDDTHNRLMI-WCXIOVBPSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@@H]3CCN(C)C[C@@H]3C)cc21 ZINC000668172956 542980394 /nfs/dbraw/zinc/98/03/94/542980394.db2.gz XYXMSKOTAFLIFO-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(CN(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc21 ZINC000668172956 542980397 /nfs/dbraw/zinc/98/03/97/542980397.db2.gz XYXMSKOTAFLIFO-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(CN(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc21 ZINC000668172956 542980399 /nfs/dbraw/zinc/98/03/99/542980399.db2.gz XYXMSKOTAFLIFO-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc21 ZINC000668172956 542980401 /nfs/dbraw/zinc/98/04/01/542980401.db2.gz XYXMSKOTAFLIFO-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc21 ZINC000668172956 542980404 /nfs/dbraw/zinc/98/04/04/542980404.db2.gz XYXMSKOTAFLIFO-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)cc21 ZINC000668172956 542980407 /nfs/dbraw/zinc/98/04/07/542980407.db2.gz XYXMSKOTAFLIFO-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)cc21 ZINC000668172956 542980411 /nfs/dbraw/zinc/98/04/11/542980411.db2.gz XYXMSKOTAFLIFO-KBXCAEBGSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1[nH+]cc(CN2CCC[C@@H]2c2ccc(F)cc2F)n1C ZINC000668226237 542993632 /nfs/dbraw/zinc/99/36/32/542993632.db2.gz HIOCZOLYTFBLNR-MRXNPFEDSA-N 2 1 291.345 3.344 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000668668463 543041234 /nfs/dbraw/zinc/04/12/34/543041234.db2.gz YCNKYWCKFODKRW-HZZCBIDNSA-N 2 1 284.447 3.285 20 0 CGADMP C(CC1CCCCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668694105 543045652 /nfs/dbraw/zinc/04/56/52/543045652.db2.gz ZPYPVVBIIBWUEK-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)C(C)(C)C)C[C@@H]1C ZINC000670264904 543146903 /nfs/dbraw/zinc/14/69/03/543146903.db2.gz QEMIDYGDQUOQHU-ILXRZTDVSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)C(C)(C)C)C[C@@H]1C ZINC000670264904 543146905 /nfs/dbraw/zinc/14/69/05/543146905.db2.gz QEMIDYGDQUOQHU-ILXRZTDVSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)C(C)(C)C)C[C@@H]1C ZINC000670264904 543146907 /nfs/dbraw/zinc/14/69/07/543146907.db2.gz QEMIDYGDQUOQHU-ILXRZTDVSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000670267248 543148726 /nfs/dbraw/zinc/14/87/26/543148726.db2.gz WXWIRQQJWBJCFS-GJZGRUSLSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527632 397618753 /nfs/dbraw/zinc/61/87/53/397618753.db2.gz WVHZALPODIJLLG-VXGBXAGGSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527632 397618755 /nfs/dbraw/zinc/61/87/55/397618755.db2.gz WVHZALPODIJLLG-VXGBXAGGSA-N 2 1 297.240 3.181 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421324055 397702617 /nfs/dbraw/zinc/70/26/17/397702617.db2.gz JHLRJUQYRIWQLR-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP Fc1ccccc1C[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000650512959 397861368 /nfs/dbraw/zinc/86/13/68/397861368.db2.gz BWEOACLFLQVIDL-KRWDZBQOSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650708746 397898141 /nfs/dbraw/zinc/89/81/41/397898141.db2.gz KTYWNHGZYIVRCE-LRDDRELGSA-N 2 1 293.480 3.001 20 0 CGADMP CC(C)(C)c1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650708746 397898142 /nfs/dbraw/zinc/89/81/42/397898142.db2.gz KTYWNHGZYIVRCE-LRDDRELGSA-N 2 1 293.480 3.001 20 0 CGADMP Fc1ccccc1C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000650715033 397900305 /nfs/dbraw/zinc/90/03/05/397900305.db2.gz MAQRULJHHNRXCE-WBVHZDCISA-N 2 1 290.426 3.222 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1csc(C)n1 ZINC000650755388 397909775 /nfs/dbraw/zinc/90/97/75/397909775.db2.gz DFRQIXOURBVWPF-LLVKDONJSA-N 2 1 275.421 3.022 20 0 CGADMP c1ccc2c(c1)CC[C@H](CC[NH2+]C1CC[NH+](C3CC3)CC1)N2 ZINC000650759042 397911218 /nfs/dbraw/zinc/91/12/18/397911218.db2.gz BUJIDEDUVZYVLN-QGZVFWFLSA-N 2 1 299.462 3.020 20 0 CGADMP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000675638141 543350035 /nfs/dbraw/zinc/35/00/35/543350035.db2.gz QUSGPVIGZPSDEE-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC000675748562 543360685 /nfs/dbraw/zinc/36/06/85/543360685.db2.gz AAHWPTABWZBUBH-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC000675748562 543360687 /nfs/dbraw/zinc/36/06/87/543360687.db2.gz AAHWPTABWZBUBH-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675901574 543371458 /nfs/dbraw/zinc/37/14/58/543371458.db2.gz IZFLXINTQVPPAL-MCIONIFRSA-N 2 1 266.454 3.142 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675901574 543371460 /nfs/dbraw/zinc/37/14/60/543371460.db2.gz IZFLXINTQVPPAL-MCIONIFRSA-N 2 1 266.454 3.142 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cscc1Cl ZINC000676416567 543397203 /nfs/dbraw/zinc/39/72/03/543397203.db2.gz OSEVTYHCYRENIM-SNVBAGLBSA-N 2 1 283.828 3.332 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000677818223 543467455 /nfs/dbraw/zinc/46/74/55/543467455.db2.gz XCRRNYKQFKBBBJ-GOSISDBHSA-N 2 1 299.418 3.045 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000677818223 543467456 /nfs/dbraw/zinc/46/74/56/543467456.db2.gz XCRRNYKQFKBBBJ-GOSISDBHSA-N 2 1 299.418 3.045 20 0 CGADMP CCCC[N@@H+](CC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678120582 543484601 /nfs/dbraw/zinc/48/46/01/543484601.db2.gz CZPNRILKESWJBV-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678210547 543492741 /nfs/dbraw/zinc/49/27/41/543492741.db2.gz NQSHYMWNSQHIGB-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2nccc3ccccc32)[C@H](C)C1 ZINC000678277856 543509342 /nfs/dbraw/zinc/50/93/42/543509342.db2.gz PKQGLIUHOMFEOI-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2nccc3ccccc32)[C@H](C)C1 ZINC000678277856 543509344 /nfs/dbraw/zinc/50/93/44/543509344.db2.gz PKQGLIUHOMFEOI-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nccc3ccccc32)[C@H](C)C1 ZINC000678277856 543509346 /nfs/dbraw/zinc/50/93/46/543509346.db2.gz PKQGLIUHOMFEOI-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000678270557 543506846 /nfs/dbraw/zinc/50/68/46/543506846.db2.gz QIQBOMGKTJSWDM-CVEARBPZSA-N 2 1 290.451 3.105 20 0 CGADMP Clc1cccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000678581113 543537427 /nfs/dbraw/zinc/53/74/27/543537427.db2.gz RWHMBTWVIYASFK-IAGOWNOFSA-N 2 1 292.854 3.489 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000678591917 543539527 /nfs/dbraw/zinc/53/95/27/543539527.db2.gz TZNPKSVHPLXSPC-BXWFABGCSA-N 2 1 286.463 3.111 20 0 CGADMP CC[N@H+](CCC(F)(F)F)Cc1cccc2nccn21 ZINC000678821603 543563195 /nfs/dbraw/zinc/56/31/95/543563195.db2.gz YOKLQOHBTOQLSW-UHFFFAOYSA-N 2 1 271.286 3.109 20 0 CGADMP CC[N@@H+](CCC(F)(F)F)Cc1cccc2nccn21 ZINC000678821603 543563197 /nfs/dbraw/zinc/56/31/97/543563197.db2.gz YOKLQOHBTOQLSW-UHFFFAOYSA-N 2 1 271.286 3.109 20 0 CGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000678822880 543563533 /nfs/dbraw/zinc/56/35/33/543563533.db2.gz KBSGPXLMQILCHE-NVXWUHKLSA-N 2 1 299.418 3.332 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cscc1Cl ZINC000678898614 543570461 /nfs/dbraw/zinc/57/04/61/543570461.db2.gz KWZKUEZELGSDNZ-UHFFFAOYSA-N 2 1 269.801 3.086 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000554742035 289307656 /nfs/dbraw/zinc/30/76/56/289307656.db2.gz SSBGIYDXKMMJTO-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000554742035 289307660 /nfs/dbraw/zinc/30/76/60/289307660.db2.gz SSBGIYDXKMMJTO-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000449075868 287013011 /nfs/dbraw/zinc/01/30/11/287013011.db2.gz WKODGPGLSVYVDH-CPUCHLNUSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCSCC1 ZINC000249783894 287024388 /nfs/dbraw/zinc/02/43/88/287024388.db2.gz DFIOPYPSZDUZHJ-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000414061021 287022453 /nfs/dbraw/zinc/02/24/53/287022453.db2.gz BERMLHJCAZAFQB-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000356886042 287023483 /nfs/dbraw/zinc/02/34/83/287023483.db2.gz XJMSEIDWTXCKIP-XMTFNYHQSA-N 2 1 296.499 3.149 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)nc3ccccc23)CC1 ZINC000077249586 287038237 /nfs/dbraw/zinc/03/82/37/287038237.db2.gz HZHPJNRAWJDHJW-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)nc3ccccc23)CC1 ZINC000077249586 287038240 /nfs/dbraw/zinc/03/82/40/287038240.db2.gz HZHPJNRAWJDHJW-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076453970 287033745 /nfs/dbraw/zinc/03/37/45/287033745.db2.gz WBQSFBRLYKDVFY-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000066152395 165034889 /nfs/dbraw/zinc/03/48/89/165034889.db2.gz XOZNRRVBQDTYJT-HNNXBMFYSA-N 2 1 276.424 3.036 20 0 CGADMP C[N@@H+](CC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000089562444 287091570 /nfs/dbraw/zinc/09/15/70/287091570.db2.gz PUJXIFFEAHKBBT-XYPWUTKMSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000081095081 165162584 /nfs/dbraw/zinc/16/25/84/165162584.db2.gz KJZFYMPRYZPMMZ-WBVHZDCISA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000081095081 165162591 /nfs/dbraw/zinc/16/25/91/165162591.db2.gz KJZFYMPRYZPMMZ-WBVHZDCISA-N 2 1 260.425 3.157 20 0 CGADMP CCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000090399780 287100750 /nfs/dbraw/zinc/10/07/50/287100750.db2.gz DHGSPHHHFNRLMP-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+](Cc1coc2ccccc12)C[C@@H]1CCC[NH+](C)C1 ZINC000092253499 165287858 /nfs/dbraw/zinc/28/78/58/165287858.db2.gz AINXNXOAYSKWFT-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1coc2ccccc12)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253499 165287861 /nfs/dbraw/zinc/28/78/61/165287861.db2.gz AINXNXOAYSKWFT-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1coc2ccccc12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253499 165287865 /nfs/dbraw/zinc/28/78/65/165287865.db2.gz AINXNXOAYSKWFT-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccnc1)C(C)C ZINC000092766120 165313590 /nfs/dbraw/zinc/31/35/90/165313590.db2.gz LTLFNBYSNGTSPP-OAHLLOKOSA-N 2 1 263.429 3.241 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010614 165342767 /nfs/dbraw/zinc/34/27/67/165342767.db2.gz BSABTGFNGCBINM-ZDUSSCGKSA-N 2 1 272.392 3.425 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000092799482 287113676 /nfs/dbraw/zinc/11/36/76/287113676.db2.gz IMVLDMJJYGCLDP-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000092799482 287113680 /nfs/dbraw/zinc/11/36/80/287113680.db2.gz IMVLDMJJYGCLDP-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000092799482 287113683 /nfs/dbraw/zinc/11/36/83/287113683.db2.gz IMVLDMJJYGCLDP-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088770 287114607 /nfs/dbraw/zinc/11/46/07/287114607.db2.gz FYDSLCHLYGFQHU-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP C[NH2+]CCC1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000261976525 165845211 /nfs/dbraw/zinc/84/52/11/165845211.db2.gz QWADEALKDVAPLY-UHFFFAOYSA-N 2 1 295.496 3.262 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119664299 287172027 /nfs/dbraw/zinc/17/20/27/287172027.db2.gz HFUPQONZZZEXFM-CQSZACIVSA-N 2 1 250.430 3.338 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000120724520 287186049 /nfs/dbraw/zinc/18/60/49/287186049.db2.gz YPNBUYDCZCIOIT-HZPDHXFCSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000120724520 287186052 /nfs/dbraw/zinc/18/60/52/287186052.db2.gz YPNBUYDCZCIOIT-HZPDHXFCSA-N 2 1 263.429 3.482 20 0 CGADMP CO[C@@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000284473919 196064431 /nfs/dbraw/zinc/06/44/31/196064431.db2.gz SSNRYBNGJXBFDE-SFHVURJKSA-N 2 1 290.451 3.179 20 0 CGADMP CO[C@@H](C[N@@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000284473919 196064433 /nfs/dbraw/zinc/06/44/33/196064433.db2.gz SSNRYBNGJXBFDE-SFHVURJKSA-N 2 1 290.451 3.179 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125599655 287247340 /nfs/dbraw/zinc/24/73/40/287247340.db2.gz UXAFATJBYVKXPS-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125599655 287247344 /nfs/dbraw/zinc/24/73/44/287247344.db2.gz UXAFATJBYVKXPS-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP C[N@@H+](CCC[NH2+]C[C@H]1CC=CCC1)Cc1ccccc1 ZINC000021010291 171286718 /nfs/dbraw/zinc/28/67/18/171286718.db2.gz VQWDPYXLGUNYTC-KRWDZBQOSA-N 2 1 272.436 3.454 20 0 CGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000037213630 173033947 /nfs/dbraw/zinc/03/39/47/173033947.db2.gz ZDYXJBAWGAVYOG-ZDUSSCGKSA-N 2 1 260.381 3.344 20 0 CGADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248598 173061443 /nfs/dbraw/zinc/06/14/43/173061443.db2.gz XIRKRDWZSJHDRN-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267044 173077392 /nfs/dbraw/zinc/07/73/92/173077392.db2.gz QNPBUMQPJZXANZ-HNNXBMFYSA-N 2 1 290.451 3.466 20 0 CGADMP CCC[N@@H+](Cc1ccc(SC)cc1)C1CC[NH2+]CC1 ZINC000037539121 173259561 /nfs/dbraw/zinc/25/95/61/173259561.db2.gz RLCDSGMGPHNZQA-UHFFFAOYSA-N 2 1 278.465 3.373 20 0 CGADMP Cc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000043315863 175004729 /nfs/dbraw/zinc/00/47/29/175004729.db2.gz STPKDYYYUQRLLE-SJPCQFCGSA-N 2 1 258.409 3.018 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000129256883 287327667 /nfs/dbraw/zinc/32/76/67/287327667.db2.gz POVNFDGWSDZQTA-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000129256883 287327669 /nfs/dbraw/zinc/32/76/69/287327669.db2.gz POVNFDGWSDZQTA-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000129256883 287327671 /nfs/dbraw/zinc/32/76/71/287327671.db2.gz POVNFDGWSDZQTA-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cccc(F)c1 ZINC000050952507 416478276 /nfs/dbraw/zinc/47/82/76/416478276.db2.gz QAXNKBNASYIYNP-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312768469 416534688 /nfs/dbraw/zinc/53/46/88/416534688.db2.gz OSJCLIBUKSLMIC-IUCAKERBSA-N 2 1 279.236 3.414 20 0 CGADMP CC[C@H]1C[N@@H+](CCOc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000316770469 416539327 /nfs/dbraw/zinc/53/93/27/416539327.db2.gz DWIMGMLSWGXQBN-KXBFYZLASA-N 2 1 298.430 3.278 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000401896514 416546745 /nfs/dbraw/zinc/54/67/45/416546745.db2.gz KLFBNFMBQZUEPI-DQIHPLBOSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402835904 416548579 /nfs/dbraw/zinc/54/85/79/416548579.db2.gz KLLPRBMMHKYDSS-MKBNYLNASA-N 2 1 280.362 3.087 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402835904 416548584 /nfs/dbraw/zinc/54/85/84/416548584.db2.gz KLLPRBMMHKYDSS-MKBNYLNASA-N 2 1 280.362 3.087 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404443645 416553580 /nfs/dbraw/zinc/55/35/80/416553580.db2.gz WCCDLMLGJKLSKX-WMLDXEAASA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404900715 416559159 /nfs/dbraw/zinc/55/91/59/416559159.db2.gz PYDIDXLZWUQYPP-HOTGVXAUSA-N 2 1 272.436 3.038 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404900712 416559490 /nfs/dbraw/zinc/55/94/90/416559490.db2.gz PYDIDXLZWUQYPP-CVEARBPZSA-N 2 1 272.436 3.038 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000122313153 416504953 /nfs/dbraw/zinc/50/49/53/416504953.db2.gz WZZXVRLXSDKMRS-ZOWXZIJZSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000122313153 416504958 /nfs/dbraw/zinc/50/49/58/416504958.db2.gz WZZXVRLXSDKMRS-ZOWXZIJZSA-N 2 1 266.816 3.460 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000130231961 287347963 /nfs/dbraw/zinc/34/79/63/287347963.db2.gz KHXYCHDRPJHGRW-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(O)cc1 ZINC000679392634 543633027 /nfs/dbraw/zinc/63/30/27/543633027.db2.gz CNXCWYXZWQZUOO-OAHLLOKOSA-N 2 1 276.424 3.136 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000680340946 543700599 /nfs/dbraw/zinc/70/05/99/543700599.db2.gz RVTSBQFTFVRMFP-FZCLSBEQSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000679721052 543657465 /nfs/dbraw/zinc/65/74/65/543657465.db2.gz FWEPDYXILWKYET-HZPDHXFCSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000679721052 543657467 /nfs/dbraw/zinc/65/74/67/543657467.db2.gz FWEPDYXILWKYET-HZPDHXFCSA-N 2 1 287.451 3.133 20 0 CGADMP C/C=C/C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679822939 543662292 /nfs/dbraw/zinc/66/22/92/543662292.db2.gz FOPAYLKTAMTTTI-MUBLQREKSA-N 2 1 255.365 3.407 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000130570391 287358348 /nfs/dbraw/zinc/35/83/48/287358348.db2.gz GPILBEGPUOIWQP-OKZBNKHCSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]([NH2+]C1CC=CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681391696 543785747 /nfs/dbraw/zinc/78/57/47/543785747.db2.gz JQUFLFCBOOXAOE-WBVHZDCISA-N 2 1 270.420 3.205 20 0 CGADMP c1cc2c(s1)CCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000682028532 543817307 /nfs/dbraw/zinc/81/73/07/543817307.db2.gz RGNWRJHHSJQPBD-UHFFFAOYSA-N 2 1 278.465 3.372 20 0 CGADMP c1cc2c(s1)CCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000682028532 543817309 /nfs/dbraw/zinc/81/73/09/543817309.db2.gz RGNWRJHHSJQPBD-UHFFFAOYSA-N 2 1 278.465 3.372 20 0 CGADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000683889042 543950304 /nfs/dbraw/zinc/95/03/04/543950304.db2.gz TYOXVEVLWITVAI-KGLIPLIRSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000683889042 543950306 /nfs/dbraw/zinc/95/03/06/543950306.db2.gz TYOXVEVLWITVAI-KGLIPLIRSA-N 2 1 293.480 3.194 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000132198913 287399262 /nfs/dbraw/zinc/39/92/62/287399262.db2.gz UKCAZMIVZRROSJ-MLHJIOFPSA-N 2 1 296.499 3.292 20 0 CGADMP CC1=C[C@@H](C)C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684682832 544025112 /nfs/dbraw/zinc/02/51/12/544025112.db2.gz FPFFJXWRJHRFHM-OAHLLOKOSA-N 2 1 288.435 3.025 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000684370157 543987406 /nfs/dbraw/zinc/98/74/06/543987406.db2.gz NMXJHWFWLPNBPR-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684376466 543988713 /nfs/dbraw/zinc/98/87/13/543988713.db2.gz ARTJSAVCBFMIOW-BBWFWOEESA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684376466 543988715 /nfs/dbraw/zinc/98/87/15/543988715.db2.gz ARTJSAVCBFMIOW-BBWFWOEESA-N 2 1 282.472 3.188 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000685462148 544074735 /nfs/dbraw/zinc/07/47/35/544074735.db2.gz JJDMRQXOFKPEQX-CYBMUJFWSA-N 2 1 251.418 3.196 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000685462148 544074738 /nfs/dbraw/zinc/07/47/38/544074738.db2.gz JJDMRQXOFKPEQX-CYBMUJFWSA-N 2 1 251.418 3.196 20 0 CGADMP CC[C@H]1CC[C@H](C)[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000685471019 544079053 /nfs/dbraw/zinc/07/90/53/544079053.db2.gz NMUDYIRXUULQMO-BBRMVZONSA-N 2 1 284.407 3.339 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000685849318 544102324 /nfs/dbraw/zinc/10/23/24/544102324.db2.gz QLQZIMMPROREIP-OAHLLOKOSA-N 2 1 274.452 3.111 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000685849318 544102327 /nfs/dbraw/zinc/10/23/27/544102327.db2.gz QLQZIMMPROREIP-OAHLLOKOSA-N 2 1 274.452 3.111 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3ccccc3C)CCC2)CC1 ZINC000652218736 418937193 /nfs/dbraw/zinc/93/71/93/418937193.db2.gz ZASVYILLJWTRGK-UHFFFAOYSA-N 2 1 272.436 3.448 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CO1 ZINC000659876605 419025906 /nfs/dbraw/zinc/02/59/06/419025906.db2.gz CLEJPZBTYVOMML-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CCCCN(C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523005 419042928 /nfs/dbraw/zinc/04/29/28/419042928.db2.gz YYOREAQNVMHYOO-JKSUJKDBSA-N 2 1 296.455 3.064 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000653558596 419047634 /nfs/dbraw/zinc/04/76/34/419047634.db2.gz LHYJSLXSOXVACG-HNNXBMFYSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974946 419049527 /nfs/dbraw/zinc/04/95/27/419049527.db2.gz RVKOVFNEEDXFHH-MRXNPFEDSA-N 2 1 250.430 3.006 20 0 CGADMP CC(C)=CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000659974946 419049531 /nfs/dbraw/zinc/04/95/31/419049531.db2.gz RVKOVFNEEDXFHH-MRXNPFEDSA-N 2 1 250.430 3.006 20 0 CGADMP CC(C)=CCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000659974946 419049533 /nfs/dbraw/zinc/04/95/33/419049533.db2.gz RVKOVFNEEDXFHH-MRXNPFEDSA-N 2 1 250.430 3.006 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccccc32)CCCC1 ZINC000665249761 419093057 /nfs/dbraw/zinc/09/30/57/419093057.db2.gz YPMNBNUABZRBMW-ZDUSSCGKSA-N 2 1 262.422 3.085 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655773148 419093209 /nfs/dbraw/zinc/09/32/09/419093209.db2.gz SIFSDCOLJFSDJZ-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771175 419093625 /nfs/dbraw/zinc/09/36/25/419093625.db2.gz BZEDZLKDHLBSHR-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254795 419093742 /nfs/dbraw/zinc/09/37/42/419093742.db2.gz ZXXIXLQWLVOVLZ-CSMYWGQOSA-N 2 1 276.399 3.049 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000665254237 419093754 /nfs/dbraw/zinc/09/37/54/419093754.db2.gz KVNJWHJKBFOUKS-IXDOHACOSA-N 2 1 276.399 3.049 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1C[C@H]1C ZINC000665252613 419094048 /nfs/dbraw/zinc/09/40/48/419094048.db2.gz UPTBDILKNYVUOU-FXXCCUJSSA-N 2 1 272.436 3.156 20 0 CGADMP C[C@H]([NH2+]CCC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257487 419113989 /nfs/dbraw/zinc/11/39/89/419113989.db2.gz UIGXXRBZOBQZEA-HOCLYGCPSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000653610733 419059783 /nfs/dbraw/zinc/05/97/83/419059783.db2.gz VGDRLWAALVAFPA-NWDGAFQWSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCc1c[nH+]cn1C ZINC000653610733 419059787 /nfs/dbraw/zinc/05/97/87/419059787.db2.gz VGDRLWAALVAFPA-NWDGAFQWSA-N 2 1 289.345 3.016 20 0 CGADMP CSc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000660011450 419063612 /nfs/dbraw/zinc/06/36/12/419063612.db2.gz ODOMOOCRBFTSGU-RDJZCZTQSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000660011450 419063617 /nfs/dbraw/zinc/06/36/17/419063617.db2.gz ODOMOOCRBFTSGU-RDJZCZTQSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000660011450 419063621 /nfs/dbraw/zinc/06/36/21/419063621.db2.gz ODOMOOCRBFTSGU-RDJZCZTQSA-N 2 1 290.476 3.325 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000660078280 419072894 /nfs/dbraw/zinc/07/28/94/419072894.db2.gz TYHJKCMUWRCBNI-NWDGAFQWSA-N 2 1 271.355 3.271 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000655715564 419074075 /nfs/dbraw/zinc/07/40/75/419074075.db2.gz LHKNZJRQEUGSHV-PVAVHDDUSA-N 2 1 272.436 3.363 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000655715564 419074079 /nfs/dbraw/zinc/07/40/79/419074079.db2.gz LHKNZJRQEUGSHV-PVAVHDDUSA-N 2 1 272.436 3.363 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000656442994 419170999 /nfs/dbraw/zinc/17/09/99/419170999.db2.gz DULYCMMJIXWBRX-GOSISDBHSA-N 2 1 298.434 3.269 20 0 CGADMP Clc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000656478130 419176434 /nfs/dbraw/zinc/17/64/34/419176434.db2.gz FAQQHCKTCAOHFV-HZPDHXFCSA-N 2 1 278.827 3.099 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCc1ccccc1)C2 ZINC000660663671 419179536 /nfs/dbraw/zinc/17/95/36/419179536.db2.gz OVRSTQGGAJNSMN-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCc1ccccc1)C2 ZINC000660663671 419179537 /nfs/dbraw/zinc/17/95/37/419179537.db2.gz OVRSTQGGAJNSMN-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCc1ccccc1)C2 ZINC000660663671 419179540 /nfs/dbraw/zinc/17/95/40/419179540.db2.gz OVRSTQGGAJNSMN-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP c1ccc2c(c1)CC[C@H](C[NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000656500065 419179620 /nfs/dbraw/zinc/17/96/20/419179620.db2.gz CYFCZTONJRYXKR-HNNXBMFYSA-N 2 1 284.447 3.008 20 0 CGADMP CSc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660661694 419180329 /nfs/dbraw/zinc/18/03/29/419180329.db2.gz FKABBINJIXRFTH-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660661694 419180330 /nfs/dbraw/zinc/18/03/30/419180330.db2.gz FKABBINJIXRFTH-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660661694 419180334 /nfs/dbraw/zinc/18/03/34/419180334.db2.gz FKABBINJIXRFTH-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660661694 419180336 /nfs/dbraw/zinc/18/03/36/419180336.db2.gz FKABBINJIXRFTH-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cccc3C)[nH]2)C1 ZINC000657337538 419254611 /nfs/dbraw/zinc/25/46/11/419254611.db2.gz YLWAKRXTRPQONB-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000657175079 419229414 /nfs/dbraw/zinc/22/94/14/419229414.db2.gz YANAVTKHUXKJJL-APWZRJJASA-N 2 1 286.463 3.256 20 0 CGADMP CC(C)(F)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657644387 419318363 /nfs/dbraw/zinc/31/83/63/419318363.db2.gz HRVHTKCXLOBBEF-UHFFFAOYSA-N 2 1 278.415 3.379 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(C[NH+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661969463 419316641 /nfs/dbraw/zinc/31/66/41/419316641.db2.gz JNFDWJCIEWDLOS-NFQUHZNNSA-N 2 1 296.458 3.370 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(C[NH+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661969463 419316644 /nfs/dbraw/zinc/31/66/44/419316644.db2.gz JNFDWJCIEWDLOS-NFQUHZNNSA-N 2 1 296.458 3.370 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(C[NH+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661969463 419316645 /nfs/dbraw/zinc/31/66/45/419316645.db2.gz JNFDWJCIEWDLOS-NFQUHZNNSA-N 2 1 296.458 3.370 20 0 CGADMP FC1(F)CC12CCC([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000657716421 419332177 /nfs/dbraw/zinc/33/21/77/419332177.db2.gz IOUDKLPTCIMDNF-RAFNIBEQSA-N 2 1 284.394 3.171 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC3CC2(C[NH3+])C3)c(C)c1 ZINC000662306464 419388051 /nfs/dbraw/zinc/38/80/51/419388051.db2.gz BVTJKKCBKXYAII-UQPPLGOBSA-N 2 1 258.409 3.096 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC3CC2(C[NH3+])C3)c(C)c1 ZINC000662306464 419388054 /nfs/dbraw/zinc/38/80/54/419388054.db2.gz BVTJKKCBKXYAII-UQPPLGOBSA-N 2 1 258.409 3.096 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000662322313 419389266 /nfs/dbraw/zinc/38/92/66/419389266.db2.gz LRBBMRORLCSHTQ-DOTOQJQBSA-N 2 1 264.457 3.278 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657869561 419396886 /nfs/dbraw/zinc/39/68/86/419396886.db2.gz JYAUDVKHNZXXEE-OJLVUWQFSA-N 2 1 275.440 3.242 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662237402 419370782 /nfs/dbraw/zinc/37/07/82/419370782.db2.gz JZLQPPMNRHQSJV-INIZCTEOSA-N 2 1 274.452 3.416 20 0 CGADMP CCC[N@@H+](C[C@@H](OC)C1CCCCC1)C1CC[NH2+]CC1 ZINC000662264977 419376226 /nfs/dbraw/zinc/37/62/26/419376226.db2.gz SUCNTJRUICWKFB-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000662266995 419376880 /nfs/dbraw/zinc/37/68/80/419376880.db2.gz PJZWYZCEWKWHHO-CHWSQXEVSA-N 2 1 262.388 3.132 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662264469 419377052 /nfs/dbraw/zinc/37/70/52/419377052.db2.gz DNBJFDMSEWJLMJ-HIFRSBDPSA-N 2 1 260.425 3.153 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCSc1ccc(F)cc1F ZINC000662275590 419381639 /nfs/dbraw/zinc/38/16/39/419381639.db2.gz CJADWUUSZMTNDW-CYBMUJFWSA-N 2 1 288.407 3.020 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1cc2cnccc2o1)C[NH+]1CCCC1 ZINC000657844134 419382874 /nfs/dbraw/zinc/38/28/74/419382874.db2.gz IFLOPJDZFSGRBB-KGLIPLIRSA-N 2 1 287.407 3.210 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C1CC(CF)(CF)C1)C1CCCCC1 ZINC000657839877 419383826 /nfs/dbraw/zinc/38/38/26/419383826.db2.gz IMTJJWOPEUVSNZ-OAHLLOKOSA-N 2 1 288.426 3.174 20 0 CGADMP C(C[N@H+]1CC[C@@H](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662306252 419386952 /nfs/dbraw/zinc/38/69/52/419386952.db2.gz PPZPJLKRRMTYFB-DOTOQJQBSA-N 2 1 264.457 3.278 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)CC(F)(F)F ZINC000663477885 419632994 /nfs/dbraw/zinc/63/29/94/419632994.db2.gz KGLISMWOTXRBCY-UHFFFAOYSA-N 2 1 278.362 3.181 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663466436 419619288 /nfs/dbraw/zinc/61/92/88/419619288.db2.gz SZAVLKPQMIHQIU-GTPINHCMSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663470572 419627039 /nfs/dbraw/zinc/62/70/39/419627039.db2.gz VHQCSZKZKVTPHD-HIFRSBDPSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663470572 419627048 /nfs/dbraw/zinc/62/70/48/419627048.db2.gz VHQCSZKZKVTPHD-HIFRSBDPSA-N 2 1 262.397 3.052 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]2CCC[C@@H]21 ZINC000658224335 419682525 /nfs/dbraw/zinc/68/25/25/419682525.db2.gz SOWKFUPNXCZZQD-JYJNAYRXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCC1 ZINC000658226662 419686751 /nfs/dbraw/zinc/68/67/51/419686751.db2.gz LQHHPXPMUYTYKB-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCC1 ZINC000658226662 419686754 /nfs/dbraw/zinc/68/67/54/419686754.db2.gz LQHHPXPMUYTYKB-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)CC[N@@H+]1C ZINC000658264322 419720225 /nfs/dbraw/zinc/72/02/25/419720225.db2.gz FMORGFJYWIDQGN-RJZJGCCBSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)CC[N@H+]1C ZINC000658264322 419720234 /nfs/dbraw/zinc/72/02/34/419720234.db2.gz FMORGFJYWIDQGN-RJZJGCCBSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1ccc2cc[nH+]c(NCC[C@H](C)[NH+](C)C)c2c1 ZINC000664244524 419865549 /nfs/dbraw/zinc/86/55/49/419865549.db2.gz LEINCXGBKZDPTQ-ZDUSSCGKSA-N 2 1 257.381 3.295 20 0 CGADMP CC(C)n1ccnc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000179698126 260064361 /nfs/dbraw/zinc/06/43/61/260064361.db2.gz FRYPWKUFAHDKCR-UHFFFAOYSA-N 2 1 292.471 3.018 20 0 CGADMP Cc1cc(C)c(C[NH2+]CCC[N@H+](C)C(C)C)c(C)c1 ZINC000221784103 262296218 /nfs/dbraw/zinc/29/62/18/262296218.db2.gz QDKZXSSYJMHWBH-UHFFFAOYSA-N 2 1 262.441 3.432 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000390835987 262350094 /nfs/dbraw/zinc/35/00/94/262350094.db2.gz IQGYGKPAELAWID-MOTUXRJWSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)[NH+]1CCCC1 ZINC000035258580 270027639 /nfs/dbraw/zinc/02/76/39/270027639.db2.gz NKSAVYYYMBKYFB-MOPGFXCFSA-N 2 1 286.463 3.254 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000043536058 270034459 /nfs/dbraw/zinc/03/44/59/270034459.db2.gz LTNVPHFHZILXQG-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000044534586 270036653 /nfs/dbraw/zinc/03/66/53/270036653.db2.gz CWXJTLXAWJUXOI-CJNGLKHVSA-N 2 1 264.388 3.208 20 0 CGADMP CCCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000044533734 270036721 /nfs/dbraw/zinc/03/67/21/270036721.db2.gz OMHVJDGSQJRRQE-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000045692172 270038795 /nfs/dbraw/zinc/03/87/95/270038795.db2.gz AHAGVLKIEKTBIY-KTAKPFMOSA-N 2 1 278.415 3.392 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868387 270049488 /nfs/dbraw/zinc/04/94/88/270049488.db2.gz GAKVQOZJSWSXDK-LSDHHAIUSA-N 2 1 270.376 3.149 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868387 270049489 /nfs/dbraw/zinc/04/94/89/270049489.db2.gz GAKVQOZJSWSXDK-LSDHHAIUSA-N 2 1 270.376 3.149 20 0 CGADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000194250561 270081590 /nfs/dbraw/zinc/08/15/90/270081590.db2.gz VSUDJICWVGUJHA-IIAWOOMASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000194250561 270081591 /nfs/dbraw/zinc/08/15/91/270081591.db2.gz VSUDJICWVGUJHA-IIAWOOMASA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527701880 270132743 /nfs/dbraw/zinc/13/27/43/270132743.db2.gz SNFMZJFEVHVBEL-LJQANCHMSA-N 2 1 295.430 3.002 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C1CCC1)C1CCC1 ZINC000527734702 270133261 /nfs/dbraw/zinc/13/32/61/270133261.db2.gz MAJLPXFUSZANJF-IRXDYDNUSA-N 2 1 276.468 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527985982 270148607 /nfs/dbraw/zinc/14/86/07/270148607.db2.gz OFLCXHQTDNSUNS-LVQVYYBASA-N 2 1 250.430 3.051 20 0 CGADMP Cc1ccncc1[C@@H](C)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528014257 270151568 /nfs/dbraw/zinc/15/15/68/270151568.db2.gz UIQQFGZBNIJDRD-GDBMZVCRSA-N 2 1 273.424 3.058 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000529526897 270182504 /nfs/dbraw/zinc/18/25/04/270182504.db2.gz ALGWNOPFPSEYMB-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC000529526897 270182505 /nfs/dbraw/zinc/18/25/05/270182505.db2.gz ALGWNOPFPSEYMB-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH+]1C ZINC000529526897 270182506 /nfs/dbraw/zinc/18/25/06/270182506.db2.gz ALGWNOPFPSEYMB-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH+]1C ZINC000529526897 270182507 /nfs/dbraw/zinc/18/25/07/270182507.db2.gz ALGWNOPFPSEYMB-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529531807 270182969 /nfs/dbraw/zinc/18/29/69/270182969.db2.gz UKQVDNTYMBSDTR-MRXNPFEDSA-N 2 1 285.435 3.332 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@@H]1c1ccccc1 ZINC000530215749 270195635 /nfs/dbraw/zinc/19/56/35/270195635.db2.gz INEWZEUGJDILIK-BRWVUGGUSA-N 2 1 284.447 3.443 20 0 CGADMP COc1ccc([C@H]([NH2+]CC2CC=CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000530215808 270195829 /nfs/dbraw/zinc/19/58/29/270195829.db2.gz JGRMRGKEPWPLJU-MSOLQXFVSA-N 2 1 286.419 3.044 20 0 CGADMP COc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C(C)C)cc1 ZINC000530214207 270195840 /nfs/dbraw/zinc/19/58/40/270195840.db2.gz CEIWAVDBQZJBRZ-IRXDYDNUSA-N 2 1 288.435 3.267 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC000530623431 270201105 /nfs/dbraw/zinc/20/11/05/270201105.db2.gz RBVMZYHWQLUKQF-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000530623431 270201106 /nfs/dbraw/zinc/20/11/06/270201106.db2.gz RBVMZYHWQLUKQF-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000530623431 270201107 /nfs/dbraw/zinc/20/11/07/270201107.db2.gz RBVMZYHWQLUKQF-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000530623733 270201130 /nfs/dbraw/zinc/20/11/30/270201130.db2.gz YOCOCLXLQITAHE-SFHVURJKSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000530623733 270201131 /nfs/dbraw/zinc/20/11/31/270201131.db2.gz YOCOCLXLQITAHE-SFHVURJKSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000530623733 270201132 /nfs/dbraw/zinc/20/11/32/270201132.db2.gz YOCOCLXLQITAHE-SFHVURJKSA-N 2 1 272.436 3.159 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]1c1ccccc1 ZINC000532124514 270214025 /nfs/dbraw/zinc/21/40/25/270214025.db2.gz PQTCZKTYKKKEEL-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]1c1ccccc1 ZINC000532124514 270214026 /nfs/dbraw/zinc/21/40/26/270214026.db2.gz PQTCZKTYKKKEEL-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000532124514 270214027 /nfs/dbraw/zinc/21/40/27/270214027.db2.gz PQTCZKTYKKKEEL-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000532124514 270214028 /nfs/dbraw/zinc/21/40/28/270214028.db2.gz PQTCZKTYKKKEEL-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414831507 273516363 /nfs/dbraw/zinc/51/63/63/273516363.db2.gz CGCVSOMPSJAXPU-WFASDCNBSA-N 2 1 268.832 3.234 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000414185499 274135801 /nfs/dbraw/zinc/13/58/01/274135801.db2.gz OSPXQOOCTXMKNE-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000516758256 274151036 /nfs/dbraw/zinc/15/10/36/274151036.db2.gz WRHRGPYAHRBTMC-ZQIUZPCESA-N 2 1 288.435 3.145 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000516758256 274151037 /nfs/dbraw/zinc/15/10/37/274151037.db2.gz WRHRGPYAHRBTMC-ZQIUZPCESA-N 2 1 288.435 3.145 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000120731911 274334868 /nfs/dbraw/zinc/33/48/68/274334868.db2.gz CIXKQOKLYUTQRJ-HFTRVMKXSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000453238718 274334909 /nfs/dbraw/zinc/33/49/09/274334909.db2.gz AIXOIQLGYXIRAC-KYJSFNMBSA-N 2 1 272.436 3.036 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000423329638 274961335 /nfs/dbraw/zinc/96/13/35/274961335.db2.gz TVNFXZOTCDJEAL-OLZOCXBDSA-N 2 1 282.840 3.204 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCCC1 ZINC000094722682 275395371 /nfs/dbraw/zinc/39/53/71/275395371.db2.gz FJGVZPGETFZJDH-HZPDHXFCSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000335598001 275552080 /nfs/dbraw/zinc/55/20/80/275552080.db2.gz JVAALVDCQXSNCN-LLVKDONJSA-N 2 1 270.829 3.204 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)CCC1CC1)[NH+]1CCCC1 ZINC000346528093 275671184 /nfs/dbraw/zinc/67/11/84/275671184.db2.gz JEYSYTHLUWAYQZ-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](C[C@@H](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000414660196 276000157 /nfs/dbraw/zinc/00/01/57/276000157.db2.gz UMZMEUCQIDVFOB-INIZCTEOSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000261595961 276000802 /nfs/dbraw/zinc/00/08/02/276000802.db2.gz JLMNWUGQNMAHIO-LPHOPBHVSA-N 2 1 286.463 3.256 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000336836448 276095512 /nfs/dbraw/zinc/09/55/12/276095512.db2.gz LUKSGZSPJQRTOX-UHFFFAOYSA-N 2 1 292.471 3.018 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000475362192 276118035 /nfs/dbraw/zinc/11/80/35/276118035.db2.gz UGFYRAUDNSBIKI-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)[C@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@@H]2CCCO[C@H]21 ZINC000423280494 276163188 /nfs/dbraw/zinc/16/31/88/276163188.db2.gz STGJWEDIZCVOIB-GVDBMIGSSA-N 2 1 294.483 3.092 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000224994628 276221715 /nfs/dbraw/zinc/22/17/15/276221715.db2.gz NQEXJIJDAQQBDR-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CCC1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459721765 276222377 /nfs/dbraw/zinc/22/23/77/276222377.db2.gz AUITZQHUPZFKFX-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(OC)CCCCC2)C[C@H]1C ZINC000361563194 276224452 /nfs/dbraw/zinc/22/44/52/276224452.db2.gz FGGFSPPYQLWZBW-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(OC)CCCCC2)C[C@H]1C ZINC000361563194 276224453 /nfs/dbraw/zinc/22/44/53/276224453.db2.gz FGGFSPPYQLWZBW-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(OC)CCCCC2)C[C@H]1C ZINC000361563194 276224454 /nfs/dbraw/zinc/22/44/54/276224454.db2.gz FGGFSPPYQLWZBW-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513714087 276268344 /nfs/dbraw/zinc/26/83/44/276268344.db2.gz XZPOWRDCUZAAMA-RCCFBDPRSA-N 2 1 272.436 3.287 20 0 CGADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414179935 276271781 /nfs/dbraw/zinc/27/17/81/276271781.db2.gz KZMLLZAGXIWXMX-DOTOQJQBSA-N 2 1 275.440 3.244 20 0 CGADMP CCS[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000233986074 276397977 /nfs/dbraw/zinc/39/79/77/276397977.db2.gz AMXWYQGQWHPYHD-SOUVJXGZSA-N 2 1 270.486 3.125 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000034996640 277031234 /nfs/dbraw/zinc/03/12/34/277031234.db2.gz HWLSZWIZMQGCCX-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000369705173 277036717 /nfs/dbraw/zinc/03/67/17/277036717.db2.gz VNNCYBONIFFPDM-UHFFFAOYSA-N 2 1 276.399 3.134 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@]2(CCSC2)C1 ZINC000334627014 277044205 /nfs/dbraw/zinc/04/42/05/277044205.db2.gz OGOYEDPTGKRHEW-CVEARBPZSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000334627014 277044206 /nfs/dbraw/zinc/04/42/06/277044206.db2.gz OGOYEDPTGKRHEW-CVEARBPZSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000334627014 277044208 /nfs/dbraw/zinc/04/42/08/277044208.db2.gz OGOYEDPTGKRHEW-CVEARBPZSA-N 2 1 282.497 3.080 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2ccccc2F)C1 ZINC000339376711 277044589 /nfs/dbraw/zinc/04/45/89/277044589.db2.gz JUXJSCGDKSZCSK-JKSUJKDBSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339376711 277044591 /nfs/dbraw/zinc/04/45/91/277044591.db2.gz JUXJSCGDKSZCSK-JKSUJKDBSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339376711 277044593 /nfs/dbraw/zinc/04/45/93/277044593.db2.gz JUXJSCGDKSZCSK-JKSUJKDBSA-N 2 1 290.426 3.489 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]2CCCC[C@@H]21 ZINC000134274907 277060562 /nfs/dbraw/zinc/06/05/62/277060562.db2.gz DWNHAJKLWCALAG-OAGGEKHMSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000134274907 277060563 /nfs/dbraw/zinc/06/05/63/277060563.db2.gz DWNHAJKLWCALAG-OAGGEKHMSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000134274907 277060564 /nfs/dbraw/zinc/06/05/64/277060564.db2.gz DWNHAJKLWCALAG-OAGGEKHMSA-N 2 1 250.430 3.125 20 0 CGADMP COC1(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000359968646 277187260 /nfs/dbraw/zinc/18/72/60/277187260.db2.gz CWBBXINJCULWNG-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414705660 277361665 /nfs/dbraw/zinc/36/16/65/277361665.db2.gz LQRHLWUCBXWMJK-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422889418 278034163 /nfs/dbraw/zinc/03/41/63/278034163.db2.gz PLQQRWUHYBMVBM-BZSNNMDCSA-N 2 1 294.398 3.417 20 0 CGADMP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320569 278047863 /nfs/dbraw/zinc/04/78/63/278047863.db2.gz LRVIVBHJGAPQTR-RRQGHBQHSA-N 2 1 258.409 3.022 20 0 CGADMP CSc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000397397384 288023428 /nfs/dbraw/zinc/02/34/28/288023428.db2.gz HFOXHKMYBJIEJI-GUTXKFCHSA-N 2 1 278.465 3.214 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000157945212 278257323 /nfs/dbraw/zinc/25/73/23/278257323.db2.gz GUNPGFLWVNWQJX-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000397772446 288030107 /nfs/dbraw/zinc/03/01/07/288030107.db2.gz HNOITYNBGZIMRN-XGUBFFRZSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000397772446 288030108 /nfs/dbraw/zinc/03/01/08/288030108.db2.gz HNOITYNBGZIMRN-XGUBFFRZSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420403392 278313241 /nfs/dbraw/zinc/31/32/41/278313241.db2.gz RIAYOPPNKIUDGC-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449284452 278344860 /nfs/dbraw/zinc/34/48/60/278344860.db2.gz PEVXVAPOWLTTFK-TVFCKZIOSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449284452 278344864 /nfs/dbraw/zinc/34/48/64/278344864.db2.gz PEVXVAPOWLTTFK-TVFCKZIOSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000267578029 278373084 /nfs/dbraw/zinc/37/30/84/278373084.db2.gz KAXRVENLUQXKJB-IIDMSEBBSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000267578029 278373088 /nfs/dbraw/zinc/37/30/88/278373088.db2.gz KAXRVENLUQXKJB-IIDMSEBBSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)c2sccc21 ZINC000334542751 278586985 /nfs/dbraw/zinc/58/69/85/278586985.db2.gz NBULMXOPRZOLEI-BXUZGUMPSA-N 2 1 264.438 3.370 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)CCO1 ZINC000423042202 278607214 /nfs/dbraw/zinc/60/72/14/278607214.db2.gz KMZOPQZRIFMRAY-MRRJBJDNSA-N 2 1 291.439 3.129 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OCC ZINC000415005902 278717111 /nfs/dbraw/zinc/71/71/11/278717111.db2.gz AZWIRMPIFQZFRD-UONOGXRCSA-N 2 1 294.439 3.090 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420303362 279085089 /nfs/dbraw/zinc/08/50/89/279085089.db2.gz NCFNPPWIVUENOD-NZSAHSFTSA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCCC2)C[C@@H]1C ZINC000361563197 279397579 /nfs/dbraw/zinc/39/75/79/279397579.db2.gz FGGFSPPYQLWZBW-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(OC)CCCCC2)C[C@@H]1C ZINC000361563197 279397580 /nfs/dbraw/zinc/39/75/80/279397580.db2.gz FGGFSPPYQLWZBW-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(OC)CCCCC2)C[C@@H]1C ZINC000361563197 279397581 /nfs/dbraw/zinc/39/75/81/279397581.db2.gz FGGFSPPYQLWZBW-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261574936 288152731 /nfs/dbraw/zinc/15/27/31/288152731.db2.gz BJKGWFDRPQETNG-QCEMKRCNSA-N 2 1 278.827 3.460 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420421724 288155622 /nfs/dbraw/zinc/15/56/22/288155622.db2.gz YSLBYGNRNDPHIY-HWWQOWPSSA-N 2 1 282.378 3.333 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420421724 288155624 /nfs/dbraw/zinc/15/56/24/288155624.db2.gz YSLBYGNRNDPHIY-HWWQOWPSSA-N 2 1 282.378 3.333 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C[C@H](C)O1 ZINC000361746180 288160798 /nfs/dbraw/zinc/16/07/98/288160798.db2.gz UVNSKKCNJZASNA-IGKNDFSCSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000423423268 279913040 /nfs/dbraw/zinc/91/30/40/279913040.db2.gz DTIQNDAOJRDOMT-BARDWOONSA-N 2 1 298.352 3.210 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])c2cccc(Br)c21 ZINC000423281486 280009153 /nfs/dbraw/zinc/00/91/53/280009153.db2.gz BJYVTQVEDIBTEC-CABZTGNLSA-N 2 1 297.240 3.324 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)c2ccsc2S1 ZINC000423522365 280010195 /nfs/dbraw/zinc/01/01/95/280010195.db2.gz HFABMPNDBMGWJO-GWCFXTLKSA-N 2 1 282.478 3.405 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000178090767 280013132 /nfs/dbraw/zinc/01/31/32/280013132.db2.gz ZEPDHZDRQMHRQR-HWWQOWPSSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000178090767 280013134 /nfs/dbraw/zinc/01/31/34/280013134.db2.gz ZEPDHZDRQMHRQR-HWWQOWPSSA-N 2 1 278.827 3.400 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000527853249 288198456 /nfs/dbraw/zinc/19/84/56/288198456.db2.gz GGZLTCMFEGWUPB-KRWDZBQOSA-N 2 1 271.408 3.487 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000348111111 280325721 /nfs/dbraw/zinc/32/57/21/280325721.db2.gz VMRQBNMUJXOLTH-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000530205013 288299241 /nfs/dbraw/zinc/29/92/41/288299241.db2.gz BDGPUMXZFUTLMC-UHFFFAOYSA-N 2 1 292.442 3.326 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000211088401 281125920 /nfs/dbraw/zinc/12/59/20/281125920.db2.gz VIKOJLNRJNIREZ-UKPHBRMFSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000211088401 281125922 /nfs/dbraw/zinc/12/59/22/281125922.db2.gz VIKOJLNRJNIREZ-UKPHBRMFSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000037292665 281255062 /nfs/dbraw/zinc/25/50/62/281255062.db2.gz FHYQYYRKOJBCRE-BHYGNILZSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000037292665 281255064 /nfs/dbraw/zinc/25/50/64/281255064.db2.gz FHYQYYRKOJBCRE-BHYGNILZSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000347006377 281375509 /nfs/dbraw/zinc/37/55/09/281375509.db2.gz QAOMOXUZOPUMKE-GVDBMIGSSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359183543 281391955 /nfs/dbraw/zinc/39/19/55/281391955.db2.gz AKCSAAQECPCVCU-KRWDZBQOSA-N 2 1 272.436 3.174 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000531715248 288342323 /nfs/dbraw/zinc/34/23/23/288342323.db2.gz HFXXSZWEZGRCBH-LRDDRELGSA-N 2 1 278.827 3.259 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CCCCC1 ZINC000502277670 282045069 /nfs/dbraw/zinc/04/50/69/282045069.db2.gz CKIHTWFTLCVSCH-ARFHVFGLSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)C2CCC2)o1 ZINC000541742002 288717920 /nfs/dbraw/zinc/71/79/20/288717920.db2.gz OKQFZVPWNISALC-MRXNPFEDSA-N 2 1 273.380 3.224 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000549034788 289032659 /nfs/dbraw/zinc/03/26/59/289032659.db2.gz ACEZGDDTHNRLMI-NXOAAHMSSA-N 2 1 264.457 3.133 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000549466476 289044641 /nfs/dbraw/zinc/04/46/41/289044641.db2.gz LDGPANXWDQWFMC-ROUUACIJSA-N 2 1 294.483 3.308 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000549466475 289044662 /nfs/dbraw/zinc/04/46/62/289044662.db2.gz LDGPANXWDQWFMC-QZTJIDSGSA-N 2 1 294.483 3.308 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCOCC3)CCCCC1 ZINC000336845390 289059902 /nfs/dbraw/zinc/05/99/02/289059902.db2.gz AOXYPQXQAQHZRJ-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCCCC3)CCOCC1 ZINC000449156347 289061349 /nfs/dbraw/zinc/06/13/49/289061349.db2.gz SGJOTPWPIQVEQG-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000550621114 289079189 /nfs/dbraw/zinc/07/91/89/289079189.db2.gz CLKWRFZJIMSLMC-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP FCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552264927 289176565 /nfs/dbraw/zinc/17/65/65/289176565.db2.gz BHEOIVXIDAWWRP-FGTMMUONSA-N 2 1 290.426 3.236 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000552276399 289177390 /nfs/dbraw/zinc/17/73/90/289177390.db2.gz WJSNUOFBTQZHIR-XHSDSOJGSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000552280428 289177855 /nfs/dbraw/zinc/17/78/55/289177855.db2.gz GTQOKOLGWZTPGC-USXIJHARSA-N 2 1 266.473 3.377 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000554357613 289274080 /nfs/dbraw/zinc/27/40/80/289274080.db2.gz FFLUJFITNCATLX-RFQIPJPRSA-N 2 1 292.389 3.427 20 0 CGADMP C(C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CCCCCC1 ZINC000554856136 289314050 /nfs/dbraw/zinc/31/40/50/289314050.db2.gz JWPJLEKVLYGTDJ-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CCCCCC1 ZINC000554856136 289314052 /nfs/dbraw/zinc/31/40/52/289314052.db2.gz JWPJLEKVLYGTDJ-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000453427370 290051919 /nfs/dbraw/zinc/05/19/19/290051919.db2.gz ZMGDRCYSXCDYBA-OWYFMNJBSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000453427370 290051922 /nfs/dbraw/zinc/05/19/22/290051922.db2.gz ZMGDRCYSXCDYBA-OWYFMNJBSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)[C@H]2CCC[C@H]21 ZINC000414192042 290214158 /nfs/dbraw/zinc/21/41/58/290214158.db2.gz SHGCMMVPDBVQEU-IPOFZDNWSA-N 2 1 286.410 3.273 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000375807614 290224688 /nfs/dbraw/zinc/22/46/88/290224688.db2.gz RFALKTCFXPIKBR-HMDCTGQHSA-N 2 1 294.483 3.043 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2occc21)C1CCCCC1 ZINC000423271760 295264676 /nfs/dbraw/zinc/26/46/76/295264676.db2.gz YDPZKECSEFDISN-GJZGRUSLSA-N 2 1 262.397 3.154 20 0 CGADMP [NH3+]C[C@H]1CCCCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000044559483 295265957 /nfs/dbraw/zinc/26/59/57/295265957.db2.gz CKKGUIWTSOVCDL-GFCCVEGCSA-N 2 1 275.783 3.206 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414868891 298327585 /nfs/dbraw/zinc/32/75/85/298327585.db2.gz QDOZLNRSTYWGMP-ZBFHGGJFSA-N 2 1 260.425 3.084 20 0 CGADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000235466472 298335370 /nfs/dbraw/zinc/33/53/70/298335370.db2.gz DBHASMOIZZQGDN-GGZOMVNGSA-N 2 1 258.287 3.062 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CCCCC1 ZINC000423176584 303359691 /nfs/dbraw/zinc/35/96/91/303359691.db2.gz HBQCGDJRTNECOD-HNNXBMFYSA-N 2 1 292.398 3.291 20 0 CGADMP CC(C)C1CCC(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000564299663 322025958 /nfs/dbraw/zinc/02/59/58/322025958.db2.gz RSXVCMFVVGWNGJ-ZGUYJTEBSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000564299663 322025960 /nfs/dbraw/zinc/02/59/60/322025960.db2.gz RSXVCMFVVGWNGJ-ZGUYJTEBSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000564299663 322025962 /nfs/dbraw/zinc/02/59/62/322025962.db2.gz RSXVCMFVVGWNGJ-ZGUYJTEBSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000564299663 322025963 /nfs/dbraw/zinc/02/59/63/322025963.db2.gz RSXVCMFVVGWNGJ-ZGUYJTEBSA-N 2 1 278.484 3.475 20 0 CGADMP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000564570587 322034855 /nfs/dbraw/zinc/03/48/55/322034855.db2.gz IQRLBJGKSUNRCE-TWMKSMIVSA-N 2 1 276.399 3.350 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000565742393 322089321 /nfs/dbraw/zinc/08/93/21/322089321.db2.gz BKJQJHFMPDWSKM-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000565742393 322089323 /nfs/dbraw/zinc/08/93/23/322089323.db2.gz BKJQJHFMPDWSKM-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000565742393 322089324 /nfs/dbraw/zinc/08/93/24/322089324.db2.gz BKJQJHFMPDWSKM-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP CCCn1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000565809547 322091957 /nfs/dbraw/zinc/09/19/57/322091957.db2.gz ZWYPTWVTYJJHMD-UHFFFAOYSA-N 2 1 291.483 3.450 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[NH2+]C(C)C)CCCO2 ZINC000565827569 322092970 /nfs/dbraw/zinc/09/29/70/322092970.db2.gz DJVONAVNBBKIRN-QGZVFWFLSA-N 2 1 290.451 3.495 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000565862941 322094604 /nfs/dbraw/zinc/09/46/04/322094604.db2.gz LERNRZONSRFZJS-ZJPYXAASSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000565862941 322094605 /nfs/dbraw/zinc/09/46/05/322094605.db2.gz LERNRZONSRFZJS-ZJPYXAASSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000565992645 322099586 /nfs/dbraw/zinc/09/95/86/322099586.db2.gz FVTFJEFAEHZVHT-CABCVRRESA-N 2 1 263.429 3.157 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000567363381 322160581 /nfs/dbraw/zinc/16/05/81/322160581.db2.gz CQXXVQVATPNMSP-OCCSQVGLSA-N 2 1 264.438 3.110 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000567363381 322160582 /nfs/dbraw/zinc/16/05/82/322160582.db2.gz CQXXVQVATPNMSP-OCCSQVGLSA-N 2 1 264.438 3.110 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000567871475 322181038 /nfs/dbraw/zinc/18/10/38/322181038.db2.gz DCHCBOKRIKPUKU-QZTJIDSGSA-N 2 1 272.436 3.112 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889823 322182129 /nfs/dbraw/zinc/18/21/29/322182129.db2.gz YSEDEPRSUGVHNF-DLBZAZTESA-N 2 1 290.838 3.403 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889823 322182130 /nfs/dbraw/zinc/18/21/30/322182130.db2.gz YSEDEPRSUGVHNF-DLBZAZTESA-N 2 1 290.838 3.403 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000568404747 322207797 /nfs/dbraw/zinc/20/77/97/322207797.db2.gz KPTODZPAQSMIJQ-KSZLIROESA-N 2 1 272.436 3.266 20 0 CGADMP C[C@H]([NH2+]CC1CC(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000570708645 322280259 /nfs/dbraw/zinc/28/02/59/322280259.db2.gz KTIYRRUMIBJINL-HLIUYOAVSA-N 2 1 281.403 3.339 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000571157948 322291576 /nfs/dbraw/zinc/29/15/76/322291576.db2.gz NFUGJNXYMMCVTR-SJLPKXTDSA-N 2 1 296.499 3.029 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000571194021 322292659 /nfs/dbraw/zinc/29/26/59/322292659.db2.gz LNNCSELKJZQULW-LLVKDONJSA-N 2 1 270.417 3.198 20 0 CGADMP C[C@H](C[N@H+](C)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000571294723 322295307 /nfs/dbraw/zinc/29/53/07/322295307.db2.gz CODYBKWINAMLTE-OAHLLOKOSA-N 2 1 271.408 3.088 20 0 CGADMP C[C@H](C[N@@H+](C)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000571294723 322295309 /nfs/dbraw/zinc/29/53/09/322295309.db2.gz CODYBKWINAMLTE-OAHLLOKOSA-N 2 1 271.408 3.088 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C[C@H]1C ZINC000571350819 322296425 /nfs/dbraw/zinc/29/64/25/322296425.db2.gz PMWOUVDOJWOEPP-XJTKPRQNSA-N 2 1 264.457 3.274 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)c2c1 ZINC000571457781 322299498 /nfs/dbraw/zinc/29/94/98/322299498.db2.gz NLMWJICJZRHWGK-ZIAGYGMSSA-N 2 1 281.403 3.002 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCc1cncn1C ZINC000572981204 322364626 /nfs/dbraw/zinc/36/46/26/322364626.db2.gz VGQZCITTWGBIKO-MAUKXSAKSA-N 2 1 283.419 3.231 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000572981204 322364628 /nfs/dbraw/zinc/36/46/28/322364628.db2.gz VGQZCITTWGBIKO-MAUKXSAKSA-N 2 1 283.419 3.231 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000572981204 322364630 /nfs/dbraw/zinc/36/46/30/322364630.db2.gz VGQZCITTWGBIKO-MAUKXSAKSA-N 2 1 283.419 3.231 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000573249122 322377773 /nfs/dbraw/zinc/37/77/73/322377773.db2.gz VUGPYQWZUWWQJR-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000573444440 322388247 /nfs/dbraw/zinc/38/82/47/322388247.db2.gz DJMFAEHEBWVLEA-MSOLQXFVSA-N 2 1 274.452 3.487 20 0 CGADMP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000215403768 327233038 /nfs/dbraw/zinc/23/30/38/327233038.db2.gz FTRAHEJZJKLQTR-MRXNPFEDSA-N 2 1 260.425 3.123 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000582514933 329099831 /nfs/dbraw/zinc/09/98/31/329099831.db2.gz ZJUHUNWIQLMHEK-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000582514933 329099832 /nfs/dbraw/zinc/09/98/32/329099832.db2.gz ZJUHUNWIQLMHEK-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000582514933 329099833 /nfs/dbraw/zinc/09/98/33/329099833.db2.gz ZJUHUNWIQLMHEK-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncccc1C ZINC000191493092 330144843 /nfs/dbraw/zinc/14/48/43/330144843.db2.gz CFXBRTHRJPLDIH-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncccc1C ZINC000191493092 330144845 /nfs/dbraw/zinc/14/48/45/330144845.db2.gz CFXBRTHRJPLDIH-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000576392634 335197556 /nfs/dbraw/zinc/19/75/56/335197556.db2.gz UBQJSSVSOZDHHP-HOTGVXAUSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)[N@H+]1CCC[C@H](C)C1 ZINC000576392634 335197557 /nfs/dbraw/zinc/19/75/57/335197557.db2.gz UBQJSSVSOZDHHP-HOTGVXAUSA-N 2 1 286.463 3.111 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccn2)c1 ZINC000576530861 335216077 /nfs/dbraw/zinc/21/60/77/335216077.db2.gz ZWOIBHDHTFNWOD-LMMKCTJWSA-N 2 1 295.430 3.339 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000577214368 335323821 /nfs/dbraw/zinc/32/38/21/335323821.db2.gz HZPSCDNQQRBGMP-CJNGLKHVSA-N 2 1 276.424 3.180 20 0 CGADMP C(C[NH2+]C1CCC2(CCCC2)CC1)C[NH+]1CCC1 ZINC000579972421 335940969 /nfs/dbraw/zinc/94/09/69/335940969.db2.gz WQTUUGXIOXNFNU-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC1(C)C ZINC000581146780 336015967 /nfs/dbraw/zinc/01/59/67/336015967.db2.gz FPZADXVRSFGQGU-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC1(C)C ZINC000581146780 336015968 /nfs/dbraw/zinc/01/59/68/336015968.db2.gz FPZADXVRSFGQGU-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000381057712 336047376 /nfs/dbraw/zinc/04/73/76/336047376.db2.gz UKGVYKLPAUQOEQ-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000381057712 336047378 /nfs/dbraw/zinc/04/73/78/336047378.db2.gz UKGVYKLPAUQOEQ-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000385463870 336147374 /nfs/dbraw/zinc/14/73/74/336147374.db2.gz LJXCHXAUIHNBEW-JKSUJKDBSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010603 519824238 /nfs/dbraw/zinc/82/42/38/519824238.db2.gz VUHXEONWNDTGIG-QGZVFWFLSA-N 2 1 260.425 3.315 20 0 CGADMP COc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1C ZINC000436483126 533784832 /nfs/dbraw/zinc/78/48/32/533784832.db2.gz CQPCVVBHVLVKEV-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1C ZINC000436483126 533784838 /nfs/dbraw/zinc/78/48/38/533784838.db2.gz CQPCVVBHVLVKEV-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1C ZINC000436483126 533784845 /nfs/dbraw/zinc/78/48/45/533784845.db2.gz CQPCVVBHVLVKEV-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1C ZINC000436483126 533784848 /nfs/dbraw/zinc/78/48/48/533784848.db2.gz CQPCVVBHVLVKEV-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1cccc2c(C[NH+]3CCC([NH+](C)C)CC3)cccc12 ZINC000449015047 533833682 /nfs/dbraw/zinc/83/36/82/533833682.db2.gz RBLMZNKJUWQBEL-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCCC2 ZINC000423337307 533835880 /nfs/dbraw/zinc/83/58/80/533835880.db2.gz VEZMBOFTHHQOPD-ZDUSSCGKSA-N 2 1 258.409 3.097 20 0 CGADMP COc1cccc2c(C[NH2+]CC3=CC[N@@H+](C)CC3)cccc12 ZINC000449246282 533835862 /nfs/dbraw/zinc/83/58/62/533835862.db2.gz DFRJCDUUASYDQH-UHFFFAOYSA-N 2 1 296.414 3.200 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)c(Cl)c1 ZINC000423527399 533851760 /nfs/dbraw/zinc/85/17/60/533851760.db2.gz MIDQFZNGKVRMFW-JTQLQIEISA-N 2 1 270.779 3.272 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423317786 533878820 /nfs/dbraw/zinc/87/88/20/533878820.db2.gz KPQGVOMRCRJKHM-ISVAXAHUSA-N 2 1 273.207 3.381 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1C(C)(C)C ZINC000423322706 533898610 /nfs/dbraw/zinc/89/86/10/533898610.db2.gz OGWNFLFTMBZOPW-LRDDRELGSA-N 2 1 260.425 3.372 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359187925 534058717 /nfs/dbraw/zinc/05/87/17/534058717.db2.gz KANAZJMBXKZXOG-ZDUSSCGKSA-N 2 1 264.388 3.208 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643976 520425751 /nfs/dbraw/zinc/42/57/51/520425751.db2.gz WCBKFVHBUJBOFI-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262053991 520601637 /nfs/dbraw/zinc/60/16/37/520601637.db2.gz ZWZXMUODVJPPHQ-CYBMUJFWSA-N 2 1 296.842 3.300 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1ccccc1Cl ZINC000337277922 522748312 /nfs/dbraw/zinc/74/83/12/522748312.db2.gz SEPKDOWSKNVKPB-UHFFFAOYSA-N 2 1 280.843 3.300 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1ccccc1Cl ZINC000337277922 522748322 /nfs/dbraw/zinc/74/83/22/522748322.db2.gz SEPKDOWSKNVKPB-UHFFFAOYSA-N 2 1 280.843 3.300 20 0 CGADMP C[N@H+](Cc1ccc(C(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000183950398 523215589 /nfs/dbraw/zinc/21/55/89/523215589.db2.gz TUZCLMICOWOWHP-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP C[NH+](Cc1ccc(C(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000183950398 523215595 /nfs/dbraw/zinc/21/55/95/523215595.db2.gz TUZCLMICOWOWHP-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP C[NH+](Cc1ccc(C(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000183950398 523215603 /nfs/dbraw/zinc/21/56/03/523215603.db2.gz TUZCLMICOWOWHP-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP CCn1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000157851515 523455678 /nfs/dbraw/zinc/45/56/78/523455678.db2.gz IWNDLBVKRGWIKP-JKSUJKDBSA-N 2 1 292.471 3.208 20 0 CGADMP C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000184955252 524228699 /nfs/dbraw/zinc/22/86/99/524228699.db2.gz QPFQKAHESUAUKW-KBXCAEBGSA-N 2 1 272.436 3.384 20 0 CGADMP Cc1cccc(NCCCC[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC000157106924 524674057 /nfs/dbraw/zinc/67/40/57/524674057.db2.gz JUKIIAHOIXSCAS-OAHLLOKOSA-N 2 1 261.413 3.457 20 0 CGADMP Cc1cccc(NCCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000157106924 524674065 /nfs/dbraw/zinc/67/40/65/524674065.db2.gz JUKIIAHOIXSCAS-OAHLLOKOSA-N 2 1 261.413 3.457 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157431600 525089815 /nfs/dbraw/zinc/08/98/15/525089815.db2.gz IXYBPMTUZNBUKL-JYSRZZCRSA-N 2 1 284.447 3.457 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000088164020 525298518 /nfs/dbraw/zinc/29/85/18/525298518.db2.gz KAWVLEHLJMPVLX-RJCAOGMDSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000088164020 525298525 /nfs/dbraw/zinc/29/85/25/525298525.db2.gz KAWVLEHLJMPVLX-RJCAOGMDSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C3CC3)c2)CC[N@H+]1C ZINC000157700442 525441140 /nfs/dbraw/zinc/44/11/40/525441140.db2.gz XIXLARCEVULNDE-CXAGYDPISA-N 2 1 258.409 3.136 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000513077963 534911849 /nfs/dbraw/zinc/91/18/49/534911849.db2.gz WGAMVMQPBYRNCR-BZSNNMDCSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000513077963 534911854 /nfs/dbraw/zinc/91/18/54/534911854.db2.gz WGAMVMQPBYRNCR-BZSNNMDCSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000184418398 526212361 /nfs/dbraw/zinc/21/23/61/526212361.db2.gz HRUGODSYWXMHCY-SJORKVTESA-N 2 1 289.467 3.409 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc4ccccc43)[C@H]2C1 ZINC000495150706 536465281 /nfs/dbraw/zinc/46/52/81/536465281.db2.gz XOIVFGLFMZPEFD-APWZRJJASA-N 2 1 280.415 3.366 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc4ccccc43)[C@H]2C1 ZINC000495150706 536465285 /nfs/dbraw/zinc/46/52/85/536465285.db2.gz XOIVFGLFMZPEFD-APWZRJJASA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc4ccccc43)[C@H]2C1 ZINC000495150706 536465286 /nfs/dbraw/zinc/46/52/86/536465286.db2.gz XOIVFGLFMZPEFD-APWZRJJASA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc4ccccc43)[C@H]2C1 ZINC000495150706 536465288 /nfs/dbraw/zinc/46/52/88/536465288.db2.gz XOIVFGLFMZPEFD-APWZRJJASA-N 2 1 280.415 3.366 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414221997 526811675 /nfs/dbraw/zinc/81/16/75/526811675.db2.gz DTAKTAGGCVNRBE-HZPDHXFCSA-N 2 1 287.451 3.096 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414221997 526811680 /nfs/dbraw/zinc/81/16/80/526811680.db2.gz DTAKTAGGCVNRBE-HZPDHXFCSA-N 2 1 287.451 3.096 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(C)ccc23)[C@H](C)C1 ZINC000268822692 527798714 /nfs/dbraw/zinc/79/87/14/527798714.db2.gz PVBWXEHKKYIVOZ-CRAIPNDOSA-N 2 1 299.462 3.339 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccoc1 ZINC000423555046 527808538 /nfs/dbraw/zinc/80/85/38/527808538.db2.gz LOOULUJSGZDJTL-MRXNPFEDSA-N 2 1 264.413 3.489 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2)[C@H](C)C1 ZINC000174780197 527833269 /nfs/dbraw/zinc/83/32/69/527833269.db2.gz KHHWQJILERKMPO-AEFFLSMTSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2)[C@H](C)C1 ZINC000174780197 527833274 /nfs/dbraw/zinc/83/32/74/527833274.db2.gz KHHWQJILERKMPO-AEFFLSMTSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2)[C@H](C)C1 ZINC000174780197 527833276 /nfs/dbraw/zinc/83/32/76/527833276.db2.gz KHHWQJILERKMPO-AEFFLSMTSA-N 2 1 274.452 3.281 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(C)c2)C1 ZINC000449036426 527837599 /nfs/dbraw/zinc/83/75/99/527837599.db2.gz JVPLGBCTOBBRCB-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(C)c2)C1 ZINC000449036426 527837604 /nfs/dbraw/zinc/83/76/04/527837604.db2.gz JVPLGBCTOBBRCB-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(C)c2)C1 ZINC000449036426 527837609 /nfs/dbraw/zinc/83/76/09/527837609.db2.gz JVPLGBCTOBBRCB-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)c1 ZINC000414109222 527846259 /nfs/dbraw/zinc/84/62/59/527846259.db2.gz GYYDVZFLRYRBAM-JJRVBVJISA-N 2 1 260.425 3.272 20 0 CGADMP CC(C)CCn1cccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366489369 527885806 /nfs/dbraw/zinc/88/58/06/527885806.db2.gz LGRNBKYNZIMKEV-GOSISDBHSA-N 2 1 289.467 3.062 20 0 CGADMP CC(C)CCn1cccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366489369 527885817 /nfs/dbraw/zinc/88/58/17/527885817.db2.gz LGRNBKYNZIMKEV-GOSISDBHSA-N 2 1 289.467 3.062 20 0 CGADMP CC(C)CCn1cccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366489369 527885823 /nfs/dbraw/zinc/88/58/23/527885823.db2.gz LGRNBKYNZIMKEV-GOSISDBHSA-N 2 1 289.467 3.062 20 0 CGADMP CC(C)CCn1cccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366489369 527885831 /nfs/dbraw/zinc/88/58/31/527885831.db2.gz LGRNBKYNZIMKEV-GOSISDBHSA-N 2 1 289.467 3.062 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427119207 528132343 /nfs/dbraw/zinc/13/23/43/528132343.db2.gz GUWKGIXFWKQRPW-KZNAEPCWSA-N 2 1 272.436 3.254 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354847395 528175308 /nfs/dbraw/zinc/17/53/08/528175308.db2.gz ZOXYNGZXSDGQQH-INIZCTEOSA-N 2 1 284.488 3.245 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000449148891 528217517 /nfs/dbraw/zinc/21/75/17/528217517.db2.gz LPFCFFIQDGDREU-ROUUACIJSA-N 2 1 296.499 3.172 20 0 CGADMP CCC[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423366451 528234835 /nfs/dbraw/zinc/23/48/35/528234835.db2.gz LNNSAVOSQMVSPZ-GWCFXTLKSA-N 2 1 274.330 3.483 20 0 CGADMP CC(C)C[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000355912979 528257776 /nfs/dbraw/zinc/25/77/76/528257776.db2.gz MJSYPYVNHSBCDV-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000423255748 528309858 /nfs/dbraw/zinc/30/98/58/528309858.db2.gz AQYKBTBEJFZADO-ZJUUUORDSA-N 2 1 260.834 3.426 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000423388975 528312954 /nfs/dbraw/zinc/31/29/54/528312954.db2.gz NVRLECKFQXCDRR-QJPTWQEYSA-N 2 1 267.442 3.187 20 0 CGADMP CC[N@H+](CC[NH2+][C@H](C)CCCC(F)(F)F)C(C)C ZINC000359664400 528516195 /nfs/dbraw/zinc/51/61/95/528516195.db2.gz YIEDDWATQWJCJL-GFCCVEGCSA-N 2 1 268.367 3.427 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H](C)CCCC(F)(F)F)C(C)C ZINC000359664400 528516202 /nfs/dbraw/zinc/51/62/02/528516202.db2.gz YIEDDWATQWJCJL-GFCCVEGCSA-N 2 1 268.367 3.427 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414855059 528517249 /nfs/dbraw/zinc/51/72/49/528517249.db2.gz VWBVULDBNGVERP-IUODEOHRSA-N 2 1 268.832 3.407 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1 ZINC000423422067 528574423 /nfs/dbraw/zinc/57/44/23/528574423.db2.gz COSKXGRWJOKNDM-XUWVNRHRSA-N 2 1 278.827 3.235 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423297579 528822221 /nfs/dbraw/zinc/82/22/21/528822221.db2.gz KXCAVBKRMHXHSP-DOMZBBRYSA-N 2 1 284.394 3.393 20 0 CGADMP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000437106055 528853547 /nfs/dbraw/zinc/85/35/47/528853547.db2.gz FVMHHPDMZWOFCK-RDJZCZTQSA-N 2 1 289.467 3.104 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)[NH+](C)C ZINC000424257149 528856084 /nfs/dbraw/zinc/85/60/84/528856084.db2.gz AZBWACFYPUNSTD-RZFLPCETSA-N 2 1 296.499 3.146 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000411629828 528862670 /nfs/dbraw/zinc/86/26/70/528862670.db2.gz FJWXISVRMMMXLZ-HNNXBMFYSA-N 2 1 293.455 3.115 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000411629828 528862676 /nfs/dbraw/zinc/86/26/76/528862676.db2.gz FJWXISVRMMMXLZ-HNNXBMFYSA-N 2 1 293.455 3.115 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000423288668 528949946 /nfs/dbraw/zinc/94/99/46/528949946.db2.gz UFIKLBFOAFORRJ-NSHDSACASA-N 2 1 268.376 3.002 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423297121 528955418 /nfs/dbraw/zinc/95/54/18/528955418.db2.gz IUVNOSSFKHLVAK-WCQYABFASA-N 2 1 286.366 3.456 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000149388978 528989175 /nfs/dbraw/zinc/98/91/75/528989175.db2.gz WMQDUKCGLJESNA-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]([NH2+]CC(C)(C)[NH3+])c1cc2ccccc2o1 ZINC000423288542 529119693 /nfs/dbraw/zinc/11/96/93/529119693.db2.gz SRDLSJSFMUEIDO-HNNXBMFYSA-N 2 1 260.381 3.457 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000414184838 529167901 /nfs/dbraw/zinc/16/79/01/529167901.db2.gz OLIKXIRIPIPSNH-CRAIPNDOSA-N 2 1 290.451 3.468 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414767844 529171630 /nfs/dbraw/zinc/17/16/30/529171630.db2.gz KOKJHMFXVKRGJA-GASCZTMLSA-N 2 1 292.854 3.334 20 0 CGADMP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423344355 529177227 /nfs/dbraw/zinc/17/72/27/529177227.db2.gz XXEWPOXCIZXDEO-CVEARBPZSA-N 2 1 282.378 3.395 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423313712 529257350 /nfs/dbraw/zinc/25/73/50/529257350.db2.gz GBMPJMXDJQZCDI-BXUZGUMPSA-N 2 1 264.438 3.187 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CCC(C)C)CC1 ZINC000482637401 535216013 /nfs/dbraw/zinc/21/60/13/535216013.db2.gz YGDNLEVBCKHVCR-SFHVURJKSA-N 2 1 298.515 3.227 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093693874 535598247 /nfs/dbraw/zinc/59/82/47/535598247.db2.gz DZPDQUJMJGLAMH-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccs1 ZINC000037644217 535912794 /nfs/dbraw/zinc/91/27/94/535912794.db2.gz IZMPJXOOCRLFQB-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1CC(C(C)(C)C)C1)C1CC1 ZINC000459586057 536338716 /nfs/dbraw/zinc/33/87/16/536338716.db2.gz KHEXMDNCMNYTIZ-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000459732021 536383893 /nfs/dbraw/zinc/38/38/93/536383893.db2.gz LUQCSPXBOSTBIE-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000459733196 536384672 /nfs/dbraw/zinc/38/46/72/536384672.db2.gz NFHMTGZGLNYLLM-ZENLRNHISA-N 2 1 276.399 3.160 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000480757376 536796942 /nfs/dbraw/zinc/79/69/42/536796942.db2.gz BNOYHDPVAZURDC-MRXNPFEDSA-N 2 1 292.467 3.429 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccs2)C[C@H]1C ZINC000740885045 572466846 /nfs/dbraw/zinc/46/68/46/572466846.db2.gz YKDRNPVQXNSJKK-ZIAGYGMSSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccs2)C[C@H]1C ZINC000740885045 572466848 /nfs/dbraw/zinc/46/68/48/572466848.db2.gz YKDRNPVQXNSJKK-ZIAGYGMSSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccs2)C[C@H]1C ZINC000740885045 572466850 /nfs/dbraw/zinc/46/68/50/572466850.db2.gz YKDRNPVQXNSJKK-ZIAGYGMSSA-N 2 1 266.454 3.095 20 0 CGADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000051919504 618666918 /nfs/dbraw/zinc/66/69/18/618666918.db2.gz JFGNBEKIQABNPJ-AWEZNQCLSA-N 2 1 266.454 3.348 20 0 CGADMP CSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000235153943 618701163 /nfs/dbraw/zinc/70/11/63/618701163.db2.gz PJXBLVYVOGZAEF-HUUCEWRRSA-N 2 1 282.497 3.269 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(O)cc(F)c1 ZINC000924568502 618849315 /nfs/dbraw/zinc/84/93/15/618849315.db2.gz ACJKRXOECSGTID-NSHDSACASA-N 2 1 294.414 3.491 20 0 CGADMP CC[C@H](C[NH2+]CC1(CCCOC)CCC1)[NH+]1CCCC1 ZINC000892554225 618862221 /nfs/dbraw/zinc/86/22/21/618862221.db2.gz BQUXUFWSUCSVEX-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000892589735 618868799 /nfs/dbraw/zinc/86/87/99/618868799.db2.gz OQXLLJKCXHOYBS-GASCZTMLSA-N 2 1 294.439 3.136 20 0 CGADMP Cc1csc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000924613299 618960756 /nfs/dbraw/zinc/96/07/56/618960756.db2.gz FJNYRAHZCFMRNF-ZDUSSCGKSA-N 2 1 289.448 3.364 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000892947555 618960847 /nfs/dbraw/zinc/96/08/47/618960847.db2.gz JIVLCWXCIZYIDJ-UXDRXVOSSA-N 2 1 286.463 3.449 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257766245 619179411 /nfs/dbraw/zinc/17/94/11/619179411.db2.gz ZQWJEWLRBYTTQY-VXGBXAGGSA-N 2 1 252.789 3.072 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)s1 ZINC000314078684 619213172 /nfs/dbraw/zinc/21/31/72/619213172.db2.gz DAPGPAXNMAZODL-GFCCVEGCSA-N 2 1 263.410 3.073 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2cc(C)c(C)o2)CC1 ZINC000925757731 619221068 /nfs/dbraw/zinc/22/10/68/619221068.db2.gz IZHOPAXGRYKENW-GFCCVEGCSA-N 2 1 250.386 3.161 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC000925767338 619228263 /nfs/dbraw/zinc/22/82/63/619228263.db2.gz XRMSTGKSLLLQIO-DWBZUHSKSA-N 2 1 258.409 3.243 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094371277 619244809 /nfs/dbraw/zinc/24/48/09/619244809.db2.gz ZLNQVYMZLBMNPJ-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccn1 ZINC000925786613 619247681 /nfs/dbraw/zinc/24/76/81/619247681.db2.gz XDOUOFSDDRPHAF-UKRRQHHQSA-N 2 1 297.393 3.003 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000925786716 619248095 /nfs/dbraw/zinc/24/80/95/619248095.db2.gz VHNRLWXDJXMQJX-YBXAARCKSA-N 2 1 284.856 3.091 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC[NH2+]1 ZINC000261565946 619289017 /nfs/dbraw/zinc/28/90/17/619289017.db2.gz GFOJVZXLCBTMON-UTUOFQBUSA-N 2 1 278.362 3.037 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000261563359 619289319 /nfs/dbraw/zinc/28/93/19/619289319.db2.gz BURIIBKBSAGZSE-BREBYQMCSA-N 2 1 285.229 3.226 20 0 CGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000237549092 619308865 /nfs/dbraw/zinc/30/88/65/619308865.db2.gz LPBQXOZTLLLWFB-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2cccc(F)c2)C1 ZINC000894086938 619364648 /nfs/dbraw/zinc/36/46/48/619364648.db2.gz OFQYLXRKWQKRDR-WRLNGNIRSA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2cccc(F)c2)C1 ZINC000894086938 619364652 /nfs/dbraw/zinc/36/46/52/619364652.db2.gz OFQYLXRKWQKRDR-WRLNGNIRSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2cccc(F)c2)C1 ZINC000894086938 619364654 /nfs/dbraw/zinc/36/46/54/619364654.db2.gz OFQYLXRKWQKRDR-WRLNGNIRSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC000894086938 619364657 /nfs/dbraw/zinc/36/46/57/619364657.db2.gz OFQYLXRKWQKRDR-WRLNGNIRSA-N 2 1 276.399 3.113 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261758709 619401551 /nfs/dbraw/zinc/40/15/51/619401551.db2.gz NMWUPUVLVQKLBT-BXUZGUMPSA-N 2 1 287.794 3.076 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894255340 619445847 /nfs/dbraw/zinc/44/58/47/619445847.db2.gz WWSMRXQIVUDGDV-LBPRGKRZSA-N 2 1 290.432 3.038 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(O)cc(F)c2)C1 ZINC000924959597 619461759 /nfs/dbraw/zinc/46/17/59/619461759.db2.gz KERGSBJWVFBGEZ-KGLIPLIRSA-N 2 1 294.414 3.302 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(O)cc(F)c2)C1 ZINC000924959597 619461763 /nfs/dbraw/zinc/46/17/63/619461763.db2.gz KERGSBJWVFBGEZ-KGLIPLIRSA-N 2 1 294.414 3.302 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000924961906 619463293 /nfs/dbraw/zinc/46/32/93/619463293.db2.gz XDZJNHFPWGOVNE-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000924971973 619468853 /nfs/dbraw/zinc/46/88/53/619468853.db2.gz DHXUAFDWDRIBTB-MRXNPFEDSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C\c2cccc(F)c2)C1 ZINC000894781672 619633287 /nfs/dbraw/zinc/63/32/87/619633287.db2.gz HBPXYHYGOOVMDR-XUASMKFJSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C\c2cccc(F)c2)C1 ZINC000894781672 619633292 /nfs/dbraw/zinc/63/32/92/619633292.db2.gz HBPXYHYGOOVMDR-XUASMKFJSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C\c2cccc(F)c2)C1 ZINC000894781672 619633299 /nfs/dbraw/zinc/63/32/99/619633299.db2.gz HBPXYHYGOOVMDR-XUASMKFJSA-N 2 1 288.410 3.255 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[C@@H](C)C1 ZINC000894788103 619636307 /nfs/dbraw/zinc/63/63/07/619636307.db2.gz MEHQVQYIWBCHEE-XQXHGXSKSA-N 2 1 264.457 3.416 20 0 CGADMP Cc1scc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000895670791 619869276 /nfs/dbraw/zinc/86/92/76/619869276.db2.gz FURFUWGJESBVIP-UHFFFAOYSA-N 2 1 278.465 3.425 20 0 CGADMP Cc1c(C[N@@H+](C)CCCC[NH+]2CCCCC2)ccnc1F ZINC000895682517 619872221 /nfs/dbraw/zinc/87/22/21/619872221.db2.gz GJPHPIMUEFXJAQ-UHFFFAOYSA-N 2 1 293.430 3.227 20 0 CGADMP CSCc1ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000895841117 619892387 /nfs/dbraw/zinc/89/23/87/619892387.db2.gz DFVNIVCDUOOFPS-IRXDYDNUSA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000895841117 619892389 /nfs/dbraw/zinc/89/23/89/619892389.db2.gz DFVNIVCDUOOFPS-IRXDYDNUSA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000895841117 619892390 /nfs/dbraw/zinc/89/23/90/619892390.db2.gz DFVNIVCDUOOFPS-IRXDYDNUSA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000895841117 619892392 /nfs/dbraw/zinc/89/23/92/619892392.db2.gz DFVNIVCDUOOFPS-IRXDYDNUSA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000895841117 619892394 /nfs/dbraw/zinc/89/23/94/619892394.db2.gz DFVNIVCDUOOFPS-IRXDYDNUSA-N 2 1 290.476 3.076 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000035054348 620289873 /nfs/dbraw/zinc/28/98/73/620289873.db2.gz JEBKLLSVKYPJAZ-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000897417259 620297112 /nfs/dbraw/zinc/29/71/12/620297112.db2.gz GVXMSNDSTMNJPR-OIISXLGYSA-N 2 1 288.435 3.281 20 0 CGADMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000052381550 620327386 /nfs/dbraw/zinc/32/73/86/620327386.db2.gz KMASIWPXKRQNHR-HNNXBMFYSA-N 2 1 260.425 3.417 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4CCC[C@H]43)CC2)cc1 ZINC000897955002 620454806 /nfs/dbraw/zinc/45/48/06/620454806.db2.gz NTSFPOFHHJBIJP-BHIYHBOVSA-N 2 1 284.447 3.429 20 0 CGADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCCCC1 ZINC000898259706 620500333 /nfs/dbraw/zinc/50/03/33/620500333.db2.gz QCLHQWSCNMYWNR-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCCC2)[C@H](C)C1 ZINC000898262283 620501110 /nfs/dbraw/zinc/50/11/10/620501110.db2.gz ZDOPJSCKZVSGDP-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1(Cl)CC1 ZINC000924689029 620563635 /nfs/dbraw/zinc/56/36/35/620563635.db2.gz WFVZUNRMMFWOGY-KBPBESRZSA-N 2 1 272.864 3.391 20 0 CGADMP C[C@@H](C[NH2+][C@H](c1ccccn1)C1CCC1)C[NH+]1CCCC1 ZINC000924714313 620573047 /nfs/dbraw/zinc/57/30/47/620573047.db2.gz JTSXYSLMTSVLHD-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C2CC2)C(C)(C)C)cn1 ZINC000924725783 620579070 /nfs/dbraw/zinc/57/90/70/620579070.db2.gz YRGMGOPNTILWSS-QGZVFWFLSA-N 2 1 298.434 3.490 20 0 CGADMP Cl/C=C\C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000898434761 620587548 /nfs/dbraw/zinc/58/75/48/620587548.db2.gz YEYGNFAHOFKJGY-WMZJFQQLSA-N 2 1 278.827 3.036 20 0 CGADMP COCC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C)o1 ZINC000902370535 621276440 /nfs/dbraw/zinc/27/64/40/621276440.db2.gz OZLAITDGNKKMDQ-HUUCEWRRSA-N 2 1 294.439 3.033 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000902411029 621295043 /nfs/dbraw/zinc/29/50/43/621295043.db2.gz UZAZIEWBLJUCMY-JSGCOSHPSA-N 2 1 264.800 3.057 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000902411032 621296499 /nfs/dbraw/zinc/29/64/99/621296499.db2.gz UZAZIEWBLJUCMY-TZMCWYRMSA-N 2 1 264.800 3.057 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1OC ZINC000902416404 621309617 /nfs/dbraw/zinc/30/96/17/621309617.db2.gz NRCJNNXKLMAOOI-ZDUSSCGKSA-N 2 1 292.423 3.016 20 0 CGADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CC3([NH3+])CC3)cs2)cs1 ZINC000902415105 621324705 /nfs/dbraw/zinc/32/47/05/621324705.db2.gz AOMGWRALWPZJCE-SECBINFHSA-N 2 1 293.461 3.322 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902736514 621418945 /nfs/dbraw/zinc/41/89/45/621418945.db2.gz UFEDGVONOVORHJ-MSOLQXFVSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000902752434 621425674 /nfs/dbraw/zinc/42/56/74/621425674.db2.gz JRGOHGXZBFFCSR-KURKYZTESA-N 2 1 294.483 3.044 20 0 CGADMP C([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000903060089 621549043 /nfs/dbraw/zinc/54/90/43/621549043.db2.gz ZVCDYTARHBEBJM-ZJPYXAASSA-N 2 1 276.468 3.277 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000903073823 621571101 /nfs/dbraw/zinc/57/11/01/621571101.db2.gz QNRRWZAVQUQAQO-NEMWNAMBSA-N 2 1 264.457 3.274 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903126723 621590737 /nfs/dbraw/zinc/59/07/37/621590737.db2.gz UQBIWGDWRQFKHA-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP CSC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000903156905 621601711 /nfs/dbraw/zinc/60/17/11/621601711.db2.gz RJSBHAIRYGWCTA-YWWDTZIBSA-N 2 1 296.524 3.371 20 0 CGADMP C[C@@H](CC[NH2+][C@H](c1ccccn1)C1CC1)[NH+]1CCCCC1 ZINC000903147680 621610372 /nfs/dbraw/zinc/61/03/72/621610372.db2.gz MGCLJVRKSJMHCT-YJBOKZPZSA-N 2 1 287.451 3.387 20 0 CGADMP CCSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903203934 621626558 /nfs/dbraw/zinc/62/65/58/621626558.db2.gz OPRXJYMBIZWPOQ-LQDVMPOASA-N 2 1 280.481 3.020 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431639 621744605 /nfs/dbraw/zinc/74/46/05/621744605.db2.gz TWOLSGCGYIJWOT-LOWVWBTDSA-N 2 1 268.351 3.085 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903437523 621746104 /nfs/dbraw/zinc/74/61/04/621746104.db2.gz JDPLAUIZEQDIAX-HYVNUMGLSA-N 2 1 260.425 3.443 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439722 621749377 /nfs/dbraw/zinc/74/93/77/621749377.db2.gz MZQOLJSAFMNIIX-UTJXIGIESA-N 2 1 276.399 3.336 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC3(CCCC3)CC2)C1 ZINC000903464063 621753486 /nfs/dbraw/zinc/75/34/86/621753486.db2.gz YERGUCVLSYEBRJ-LSDHHAIUSA-N 2 1 250.430 3.160 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456011 621763087 /nfs/dbraw/zinc/76/30/87/621763087.db2.gz BYECKXDZAWSPCA-BNOWGMLFSA-N 2 1 295.496 3.423 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456011 621763089 /nfs/dbraw/zinc/76/30/89/621763089.db2.gz BYECKXDZAWSPCA-BNOWGMLFSA-N 2 1 295.496 3.423 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000903481764 621765198 /nfs/dbraw/zinc/76/51/98/621765198.db2.gz MCJMFQOZOOBHCW-HYVNUMGLSA-N 2 1 290.476 3.022 20 0 CGADMP c1ccc([C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCS2)cc1 ZINC000903728873 621796695 /nfs/dbraw/zinc/79/66/95/621796695.db2.gz GPJDLAPZGABNBZ-DOTOQJQBSA-N 2 1 290.476 3.166 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753163 621800228 /nfs/dbraw/zinc/80/02/28/621800228.db2.gz RVGRWJNVWVARKX-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP FCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903752007 621800276 /nfs/dbraw/zinc/80/02/76/621800276.db2.gz OEOYUPIXLBHSGV-DOTOQJQBSA-N 2 1 276.399 3.120 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CCCC[NH2+]C1)CCC2 ZINC000903739327 621801062 /nfs/dbraw/zinc/80/10/62/621801062.db2.gz HKLZGMNXXYBLKY-DZGCQCFKSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CF)[C@H]1CC[NH3+] ZINC000903764284 621803122 /nfs/dbraw/zinc/80/31/22/621803122.db2.gz QWHIITVEPGPNHL-BBRMVZONSA-N 2 1 264.388 3.105 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccnc(Cl)c2)CCC1 ZINC000903810754 621813485 /nfs/dbraw/zinc/81/34/85/621813485.db2.gz GTKHEHNAONZMRB-CQSZACIVSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccnc(Cl)c2)CCC1 ZINC000903810754 621813489 /nfs/dbraw/zinc/81/34/89/621813489.db2.gz GTKHEHNAONZMRB-CQSZACIVSA-N 2 1 293.842 3.219 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903881302 621826188 /nfs/dbraw/zinc/82/61/88/621826188.db2.gz YEMIYDWTLOYFKQ-YPRXJGMQSA-N 2 1 294.389 3.488 20 0 CGADMP C[C@@H](C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903892420 621827464 /nfs/dbraw/zinc/82/74/64/621827464.db2.gz RUCWMCLYNJXVQB-UNPWZGGWSA-N 2 1 272.436 3.253 20 0 CGADMP CC[N@@H+](CCc1cccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903886663 621827658 /nfs/dbraw/zinc/82/76/58/621827658.db2.gz SWERBFSKBDNNRV-GOOCMWNKSA-N 2 1 278.465 3.143 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000903898881 621830099 /nfs/dbraw/zinc/83/00/99/621830099.db2.gz OZCMXYXLWSCKRI-KGLIPLIRSA-N 2 1 274.399 3.404 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000903898881 621830101 /nfs/dbraw/zinc/83/01/01/621830101.db2.gz OZCMXYXLWSCKRI-KGLIPLIRSA-N 2 1 274.399 3.404 20 0 CGADMP CCCCC[N@@H+](CCCOC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903903534 621831395 /nfs/dbraw/zinc/83/13/95/621831395.db2.gz VFDOAKDZUQYUEV-ALOPSCKCSA-N 2 1 282.472 3.046 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000903946631 621839694 /nfs/dbraw/zinc/83/96/94/621839694.db2.gz XNXSRDRRAFQSAG-UHFFFAOYSA-N 2 1 287.382 3.077 20 0 CGADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313970 621904315 /nfs/dbraw/zinc/90/43/15/621904315.db2.gz OZWBPPCPHZRNET-XOYOTBSWSA-N 2 1 272.436 3.382 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C2CC2)cc1C ZINC000904324405 621906898 /nfs/dbraw/zinc/90/68/98/621906898.db2.gz XCTZSSJHNDDGKR-IYBDPMFKSA-N 2 1 258.409 3.005 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000904358318 621912740 /nfs/dbraw/zinc/91/27/40/621912740.db2.gz LBTVNPVZSJDSQY-DLBZAZTESA-N 2 1 291.483 3.210 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000904411382 621919019 /nfs/dbraw/zinc/91/90/19/621919019.db2.gz UXCJWHDHPVEWAW-DLBZAZTESA-N 2 1 290.451 3.152 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406984 621919460 /nfs/dbraw/zinc/91/94/60/621919460.db2.gz ZNWVNAYJXRAVCY-CYBMUJFWSA-N 2 1 272.392 3.166 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410841 621919512 /nfs/dbraw/zinc/91/95/12/621919512.db2.gz IZDIRTZNDLWNCV-GXTWGEPZSA-N 2 1 272.392 3.158 20 0 CGADMP CCCC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000906526143 622243465 /nfs/dbraw/zinc/24/34/65/622243465.db2.gz DTTJDIULIZKNBP-AWEZNQCLSA-N 2 1 266.454 3.350 20 0 CGADMP CCCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000906526143 622243469 /nfs/dbraw/zinc/24/34/69/622243469.db2.gz DTTJDIULIZKNBP-AWEZNQCLSA-N 2 1 266.454 3.350 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000842476059 623455901 /nfs/dbraw/zinc/45/59/01/623455901.db2.gz FWARFRXIQBZKJI-INIZCTEOSA-N 2 1 261.413 3.128 20 0 CGADMP C[C@H]1C[C@@H]1C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000754142472 623815780 /nfs/dbraw/zinc/81/57/80/623815780.db2.gz GHNYNFSCJXFLAI-LSDHHAIUSA-N 2 1 287.451 3.285 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CCCCC1 ZINC000921598983 625693961 /nfs/dbraw/zinc/69/39/61/625693961.db2.gz RSYVNKVLTYIBCY-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CCCCC1 ZINC000921598983 625693973 /nfs/dbraw/zinc/69/39/73/625693973.db2.gz RSYVNKVLTYIBCY-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]Cc1ccnn1C1CCC1)C(C)(C)C ZINC000921750122 625862606 /nfs/dbraw/zinc/86/26/06/625862606.db2.gz TXGKTFLUYVNXNT-INIZCTEOSA-N 2 1 292.471 3.064 20 0 CGADMP C[C@@H](C[NH2+]Cc1cccc(Oc2ccccn2)c1)C[NH+](C)C ZINC000922140501 625972131 /nfs/dbraw/zinc/97/21/31/625972131.db2.gz QKTBBNLSLTYATC-HNNXBMFYSA-N 2 1 299.418 3.161 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923415926 626151132 /nfs/dbraw/zinc/15/11/32/626151132.db2.gz XMZWIDHCNSFEMN-JKSUJKDBSA-N 2 1 262.441 3.031 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923415926 626151134 /nfs/dbraw/zinc/15/11/34/626151134.db2.gz XMZWIDHCNSFEMN-JKSUJKDBSA-N 2 1 262.441 3.031 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480737 626157013 /nfs/dbraw/zinc/15/70/13/626157013.db2.gz BWYJXOHRYAGQCS-IAQYHMDHSA-N 2 1 268.351 3.087 20 0 CGADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)co2)cc1 ZINC000923496727 626158218 /nfs/dbraw/zinc/15/82/18/626158218.db2.gz CLAPIYHZOJWXIP-GOEBONIOSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)CC[C@H]1C[NH3+] ZINC000923501363 626159478 /nfs/dbraw/zinc/15/94/78/626159478.db2.gz QWDPIVYPHYFVKC-OCCSQVGLSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923501742 626159611 /nfs/dbraw/zinc/15/96/11/626159611.db2.gz UXTXZDLTVBRMKV-DGCLKSJQSA-N 2 1 286.341 3.122 20 0 CGADMP Clc1oc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515697 626160395 /nfs/dbraw/zinc/16/03/95/626160395.db2.gz KOKBRLFDKFRJAC-NWDGAFQWSA-N 2 1 290.794 3.128 20 0 CGADMP Clc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515697 626160397 /nfs/dbraw/zinc/16/03/97/626160397.db2.gz KOKBRLFDKFRJAC-NWDGAFQWSA-N 2 1 290.794 3.128 20 0 CGADMP Cc1csc(C[C@@H]2CC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000923552344 626163342 /nfs/dbraw/zinc/16/33/42/626163342.db2.gz WHSGUAYMHDTRDW-HNNXBMFYSA-N 2 1 295.496 3.225 20 0 CGADMP C[C@@H]([NH2+]CCCCCCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754463358 626572867 /nfs/dbraw/zinc/57/28/67/626572867.db2.gz AEPITNCKFHGPAV-SJORKVTESA-N 2 1 296.499 3.172 20 0 CGADMP CCCCCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000759381530 626892566 /nfs/dbraw/zinc/89/25/66/626892566.db2.gz ZCXAJZHRGVTBMJ-IKGGRYGDSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000759381530 626892563 /nfs/dbraw/zinc/89/25/63/626892563.db2.gz ZCXAJZHRGVTBMJ-IKGGRYGDSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000759381530 626892570 /nfs/dbraw/zinc/89/25/70/626892570.db2.gz ZCXAJZHRGVTBMJ-IKGGRYGDSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000759381532 626892736 /nfs/dbraw/zinc/89/27/36/626892736.db2.gz ZCXAJZHRGVTBMJ-ZACQAIPSSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000759381532 626892741 /nfs/dbraw/zinc/89/27/41/626892741.db2.gz ZCXAJZHRGVTBMJ-ZACQAIPSSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000759381532 626892744 /nfs/dbraw/zinc/89/27/44/626892744.db2.gz ZCXAJZHRGVTBMJ-ZACQAIPSSA-N 2 1 284.488 3.122 20 0 CGADMP Cc1nc(NCCCC[N@H+]2CCC[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000761880691 627071175 /nfs/dbraw/zinc/07/11/75/627071175.db2.gz GBIHPYOJRCRBJB-ZDUSSCGKSA-N 2 1 290.455 3.326 20 0 CGADMP Cc1nc(NCCCC[N@@H+]2CCC[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000761880691 627071181 /nfs/dbraw/zinc/07/11/81/627071181.db2.gz GBIHPYOJRCRBJB-ZDUSSCGKSA-N 2 1 290.455 3.326 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OCC)c2)C1 ZINC000765290033 627244715 /nfs/dbraw/zinc/24/47/15/627244715.db2.gz GGNFPHJGMZXVKI-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)[C@@H](C)C1 ZINC000766258264 627306709 /nfs/dbraw/zinc/30/67/09/627306709.db2.gz HABLOBZOBANVCM-VUCTXSBTSA-N 2 1 292.854 3.127 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000769472300 627557008 /nfs/dbraw/zinc/55/70/08/627557008.db2.gz HBLPFUONGZJFPD-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP c1ccc2c(c1)cncc2C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000769472300 627557010 /nfs/dbraw/zinc/55/70/10/627557010.db2.gz HBLPFUONGZJFPD-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP C[C@H]([NH2+]C1CC(C(F)F)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000769550712 627565192 /nfs/dbraw/zinc/56/51/92/627565192.db2.gz DPJVSYCSGBVELD-FEPKRQSRSA-N 2 1 286.410 3.273 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000769877438 627586619 /nfs/dbraw/zinc/58/66/19/627586619.db2.gz WPIIEDPMVBXRPR-UONOGXRCSA-N 2 1 293.455 3.318 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000776005560 628157646 /nfs/dbraw/zinc/15/76/46/628157646.db2.gz AETRZBLUOAHUCW-RHSMWYFYSA-N 2 1 286.423 3.210 20 0 CGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(CF)cc1 ZINC000777598219 628287392 /nfs/dbraw/zinc/28/73/92/628287392.db2.gz MHMBTECDDKQKIU-SJORKVTESA-N 2 1 276.399 3.215 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(CF)cc1 ZINC000777598219 628287396 /nfs/dbraw/zinc/28/73/96/628287396.db2.gz MHMBTECDDKQKIU-SJORKVTESA-N 2 1 276.399 3.215 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292981 628479182 /nfs/dbraw/zinc/47/91/82/628479182.db2.gz OZIMITGKCBVTFE-HKUYNNGSSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292981 628479184 /nfs/dbraw/zinc/47/91/84/628479184.db2.gz OZIMITGKCBVTFE-HKUYNNGSSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292981 628479186 /nfs/dbraw/zinc/47/91/86/628479186.db2.gz OZIMITGKCBVTFE-HKUYNNGSSA-N 2 1 298.474 3.380 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292928 628479766 /nfs/dbraw/zinc/47/97/66/628479766.db2.gz OJFWNXMSOVUHGD-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292928 628479768 /nfs/dbraw/zinc/47/97/68/628479768.db2.gz OJFWNXMSOVUHGD-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292928 628479771 /nfs/dbraw/zinc/47/97/71/628479771.db2.gz OJFWNXMSOVUHGD-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000782183131 628621300 /nfs/dbraw/zinc/62/13/00/628621300.db2.gz IGIBSUZKJPSLSX-OAHLLOKOSA-N 2 1 260.425 3.330 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000863652205 629632288 /nfs/dbraw/zinc/63/22/88/629632288.db2.gz PLWZQERKRNZVQY-VKSUQKOCSA-N 2 1 284.447 3.110 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000796832060 629843746 /nfs/dbraw/zinc/84/37/46/629843746.db2.gz LTDCHKGEJJMERX-CGTJXYLNSA-N 2 1 272.436 3.266 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(Cl)n1 ZINC000797596483 629966912 /nfs/dbraw/zinc/96/69/12/629966912.db2.gz ZKJWLYDMOUSJPT-UHFFFAOYSA-N 2 1 295.858 3.396 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865398503 630102059 /nfs/dbraw/zinc/10/20/59/630102059.db2.gz WZKYKLWLGVOOEA-UHFFFAOYSA-N 2 1 289.398 3.195 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777960 634791876 /nfs/dbraw/zinc/79/18/76/634791876.db2.gz VBGRHDIVNMUTJG-IAGOWNOFSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777960 634791882 /nfs/dbraw/zinc/79/18/82/634791882.db2.gz VBGRHDIVNMUTJG-IAGOWNOFSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777960 634791885 /nfs/dbraw/zinc/79/18/85/634791885.db2.gz VBGRHDIVNMUTJG-IAGOWNOFSA-N 2 1 290.451 3.036 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865522785 630166464 /nfs/dbraw/zinc/16/64/64/630166464.db2.gz VLNGRIZFNYVUOS-UHFFFAOYSA-N 2 1 288.435 3.215 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000865640876 630242774 /nfs/dbraw/zinc/24/27/74/630242774.db2.gz QBDIFHHGCFXYGN-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000865640876 630242782 /nfs/dbraw/zinc/24/27/82/630242782.db2.gz QBDIFHHGCFXYGN-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000815560046 631795243 /nfs/dbraw/zinc/79/52/43/631795243.db2.gz XBKBREKGWRJZRP-JQFCIGGWSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000815560046 631795247 /nfs/dbraw/zinc/79/52/47/631795247.db2.gz XBKBREKGWRJZRP-JQFCIGGWSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000815583481 631800858 /nfs/dbraw/zinc/80/08/58/631800858.db2.gz HEGCTHZODXBNMS-YDHLFZDLSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000815583481 631800861 /nfs/dbraw/zinc/80/08/61/631800861.db2.gz HEGCTHZODXBNMS-YDHLFZDLSA-N 2 1 264.388 3.267 20 0 CGADMP C[C@@H]1[C@@H](C)C[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000816648552 632034476 /nfs/dbraw/zinc/03/44/76/632034476.db2.gz MAQGKZURLWNCMY-JKSUJKDBSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1[C@@H](C)C[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000816648552 632034480 /nfs/dbraw/zinc/03/44/80/632034480.db2.gz MAQGKZURLWNCMY-JKSUJKDBSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1[C@@H](C)C[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000816648552 632034487 /nfs/dbraw/zinc/03/44/87/632034487.db2.gz MAQGKZURLWNCMY-JKSUJKDBSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1[C@@H](C)C[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000816648552 632034491 /nfs/dbraw/zinc/03/44/91/632034491.db2.gz MAQGKZURLWNCMY-JKSUJKDBSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000816648244 632034791 /nfs/dbraw/zinc/03/47/91/632034791.db2.gz HMBWCJAITRCQGC-HZPDHXFCSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2c(c1)CCO2 ZINC000817943704 632242514 /nfs/dbraw/zinc/24/25/14/632242514.db2.gz RAVKGMMZQUKPPV-CQSZACIVSA-N 2 1 288.435 3.324 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817957343 632252509 /nfs/dbraw/zinc/25/25/09/632252509.db2.gz BBPKKPCTAJPJND-PRHODGIISA-N 2 1 290.238 3.210 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000817958782 632254355 /nfs/dbraw/zinc/25/43/55/632254355.db2.gz MILXBOQERYZVHS-OCCSQVGLSA-N 2 1 252.377 3.158 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(SC(F)F)cc1 ZINC000817960692 632256729 /nfs/dbraw/zinc/25/67/29/632256729.db2.gz PVMIOYFNDMCEBX-TVQRCGJNSA-N 2 1 286.391 3.389 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000817972669 632266078 /nfs/dbraw/zinc/26/60/78/632266078.db2.gz ZPALWPLRPGRYQI-SDNTUTLCSA-N 2 1 276.399 3.192 20 0 CGADMP CC(C)C[N@@H+](CC[C@@H]1CCCCO1)CC1CC[NH+](C)CC1 ZINC000879703954 635839375 /nfs/dbraw/zinc/83/93/75/635839375.db2.gz HCYXKPVGAOJDGH-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000866239232 633039662 /nfs/dbraw/zinc/03/96/62/633039662.db2.gz RVYWQRCINYPDLC-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866266130 633052295 /nfs/dbraw/zinc/05/22/95/633052295.db2.gz WXKRCXMEVJOUBS-WMZOPIPTSA-N 2 1 289.467 3.257 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866266130 633052298 /nfs/dbraw/zinc/05/22/98/633052298.db2.gz WXKRCXMEVJOUBS-WMZOPIPTSA-N 2 1 289.467 3.257 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866584194 633203177 /nfs/dbraw/zinc/20/31/77/633203177.db2.gz NKAMVIPLOOHGCZ-ZOBUZTSGSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584194 633203182 /nfs/dbraw/zinc/20/31/82/633203182.db2.gz NKAMVIPLOOHGCZ-ZOBUZTSGSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584194 633203188 /nfs/dbraw/zinc/20/31/88/633203188.db2.gz NKAMVIPLOOHGCZ-ZOBUZTSGSA-N 2 1 258.409 3.082 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697499 633232501 /nfs/dbraw/zinc/23/25/01/633232501.db2.gz RBVOPCSHPQQMRP-QGZVFWFLSA-N 2 1 282.472 3.319 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000828339257 633606532 /nfs/dbraw/zinc/60/65/32/633606532.db2.gz ZWLPDRUMYUIGDC-AVGNSLFASA-N 2 1 293.282 3.232 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000872020720 633940932 /nfs/dbraw/zinc/94/09/32/633940932.db2.gz JQZFJTXJXIKFRF-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)C1CCCCC1 ZINC000872026727 633946220 /nfs/dbraw/zinc/94/62/20/633946220.db2.gz FGQKJRHSDPYTAC-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)C1CCCCC1 ZINC000872026727 633946225 /nfs/dbraw/zinc/94/62/25/633946225.db2.gz FGQKJRHSDPYTAC-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000872068418 633991096 /nfs/dbraw/zinc/99/10/96/633991096.db2.gz HIFUWKATQZIZIO-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872072660 633994281 /nfs/dbraw/zinc/99/42/81/633994281.db2.gz IEYHHSZIKSUVTP-PMPSAXMXSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872072660 633994286 /nfs/dbraw/zinc/99/42/86/633994286.db2.gz IEYHHSZIKSUVTP-PMPSAXMXSA-N 2 1 284.488 3.290 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218165 636161248 /nfs/dbraw/zinc/16/12/48/636161248.db2.gz MKHSPOHQSNGBFT-MRXNPFEDSA-N 2 1 276.424 3.351 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(F)cc2cccnc21 ZINC000872155391 634065538 /nfs/dbraw/zinc/06/55/38/634065538.db2.gz MMLBDLWCTBHVAA-UHFFFAOYSA-N 2 1 289.398 3.325 20 0 CGADMP COc1cccc(C[N@@H+](C)CCCCCC[NH3+])c1Cl ZINC000872155186 634065576 /nfs/dbraw/zinc/06/55/76/634065576.db2.gz GIDQCQTVZWWJJT-UHFFFAOYSA-N 2 1 284.831 3.300 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872150477 634065602 /nfs/dbraw/zinc/06/56/02/634065602.db2.gz QTVGOYUETDGGPG-VHDGCEQUSA-N 2 1 298.352 3.133 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155328 634066479 /nfs/dbraw/zinc/06/64/79/634066479.db2.gz IJMRQLJLXKFQHZ-CYBMUJFWSA-N 2 1 281.444 3.484 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(-c2ccccc2)on1 ZINC000872155187 634066545 /nfs/dbraw/zinc/06/65/45/634066545.db2.gz GKUWDGKTQZNJAT-UHFFFAOYSA-N 2 1 287.407 3.293 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872275877 634097174 /nfs/dbraw/zinc/09/71/74/634097174.db2.gz LTWARJIAKHBXMB-SJLPKXTDSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872275877 634097179 /nfs/dbraw/zinc/09/71/79/634097179.db2.gz LTWARJIAKHBXMB-SJLPKXTDSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872275877 634097184 /nfs/dbraw/zinc/09/71/84/634097184.db2.gz LTWARJIAKHBXMB-SJLPKXTDSA-N 2 1 294.483 3.284 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cn1 ZINC000834523604 634175750 /nfs/dbraw/zinc/17/57/50/634175750.db2.gz YKFTZUMIBGXSRS-GOSISDBHSA-N 2 1 296.418 3.244 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[N@H+](C)C1CC1 ZINC000834908153 634283187 /nfs/dbraw/zinc/28/31/87/634283187.db2.gz CBJCYDKNDXDHEE-SFHVURJKSA-N 2 1 272.436 3.446 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCCc1ccc2c(c1)CCO2 ZINC000873231497 634294065 /nfs/dbraw/zinc/29/40/65/634294065.db2.gz KZHLLIAMYJBDJA-UHFFFAOYSA-N 2 1 290.451 3.005 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1c[nH]nc1-c1ccsc1 ZINC000873231506 634294497 /nfs/dbraw/zinc/29/44/97/634294497.db2.gz LFAYWBKDJHMBMZ-UHFFFAOYSA-N 2 1 292.452 3.089 20 0 CGADMP C[C@@H](C[NH2+]Cc1cccc(Cl)c1N)C[NH+]1CCCCC1 ZINC000876948834 634935417 /nfs/dbraw/zinc/93/54/17/634935417.db2.gz QSCZUADSXUASEM-ZDUSSCGKSA-N 2 1 295.858 3.134 20 0 CGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000877046297 634962547 /nfs/dbraw/zinc/96/25/47/634962547.db2.gz LJQIAQASOIPGQJ-DLBZAZTESA-N 2 1 294.483 3.212 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878033945 635331902 /nfs/dbraw/zinc/33/19/02/635331902.db2.gz CRVMHWFMVHGHPE-MRXNPFEDSA-N 2 1 282.472 3.139 20 0 CGADMP COCC[C@H]1CCCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842479138 635379992 /nfs/dbraw/zinc/37/99/92/635379992.db2.gz XIVUWSVJOBENDA-MRXNPFEDSA-N 2 1 270.461 3.034 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000842476976 635380073 /nfs/dbraw/zinc/38/00/73/635380073.db2.gz YYOQRJSYMXETOT-SFHVURJKSA-N 2 1 289.467 3.472 20 0 CGADMP C(CC1CC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285484 635443195 /nfs/dbraw/zinc/44/31/95/635443195.db2.gz AMUBBRUEVUYWPZ-DOTOQJQBSA-N 2 1 262.441 3.125 20 0 CGADMP C(CC1CC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878285484 635443200 /nfs/dbraw/zinc/44/32/00/635443200.db2.gz AMUBBRUEVUYWPZ-DOTOQJQBSA-N 2 1 262.441 3.125 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC3CCC2CC3)s1 ZINC000842725054 635450196 /nfs/dbraw/zinc/45/01/96/635450196.db2.gz NYAOPZZHFSRFAT-RUXDESIVSA-N 2 1 293.480 3.121 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000842900275 635509911 /nfs/dbraw/zinc/50/99/11/635509911.db2.gz APVJEQCLNDDECQ-GOSISDBHSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnc(C2CCC2)s1 ZINC000843054252 635551881 /nfs/dbraw/zinc/55/18/81/635551881.db2.gz SVKXALKFKSXXDQ-AGUYFDCRSA-N 2 1 291.464 3.255 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnc(C2CCC2)s1 ZINC000843054252 635551885 /nfs/dbraw/zinc/55/18/85/635551885.db2.gz SVKXALKFKSXXDQ-AGUYFDCRSA-N 2 1 291.464 3.255 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)CC(C)(C)C ZINC000879581305 635815359 /nfs/dbraw/zinc/81/53/59/635815359.db2.gz XXJSISGAEBUVHE-SOUVJXGZSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)CC(C)(C)C ZINC000879581305 635815364 /nfs/dbraw/zinc/81/53/64/635815364.db2.gz XXJSISGAEBUVHE-SOUVJXGZSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)CC(C)(C)C ZINC000879581305 635815373 /nfs/dbraw/zinc/81/53/73/635815373.db2.gz XXJSISGAEBUVHE-SOUVJXGZSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)CC(C)(C)C ZINC000879581305 635815379 /nfs/dbraw/zinc/81/53/79/635815379.db2.gz XXJSISGAEBUVHE-SOUVJXGZSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[N@H+](CC1CCC(=O)CC1)CC1CC[NH+](C)CC1 ZINC000879703821 635838704 /nfs/dbraw/zinc/83/87/04/635838704.db2.gz YLNJLFOVCNIYET-UHFFFAOYSA-N 2 1 294.483 3.046 20 0 CGADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724271 635842340 /nfs/dbraw/zinc/84/23/40/635842340.db2.gz FFVYFJLXBGPMAL-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724271 635842343 /nfs/dbraw/zinc/84/23/43/635842343.db2.gz FFVYFJLXBGPMAL-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724271 635842349 /nfs/dbraw/zinc/84/23/49/635842349.db2.gz FFVYFJLXBGPMAL-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724271 635842353 /nfs/dbraw/zinc/84/23/53/635842353.db2.gz FFVYFJLXBGPMAL-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc2cc[nH]c2c1 ZINC000879724271 635842356 /nfs/dbraw/zinc/84/23/56/635842356.db2.gz FFVYFJLXBGPMAL-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](CCCOc2ccccc2)CC1 ZINC000880470003 636006453 /nfs/dbraw/zinc/00/64/53/636006453.db2.gz FYCPFDBPXFMJJL-UHFFFAOYSA-N 2 1 288.435 3.016 20 0 CGADMP Cc1ccc(C[N@@H+](CCCCCC[NH3+])CC2CC2)cn1 ZINC000846223168 636163440 /nfs/dbraw/zinc/16/34/40/636163440.db2.gz IDCTYFISEJTWHV-UHFFFAOYSA-N 2 1 275.440 3.121 20 0 CGADMP CC1(C)CC([NH2+]Cc2cccc(Cl)c2N)CC(C)(C)[NH2+]1 ZINC000882880180 636444734 /nfs/dbraw/zinc/44/47/34/636444734.db2.gz FMCQURJNQJWTHO-UHFFFAOYSA-N 2 1 295.858 3.321 20 0 CGADMP Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(Cl)n1 ZINC000883301892 636655837 /nfs/dbraw/zinc/65/58/37/636655837.db2.gz LAIVDFODLKDSPL-RRFJBIMHSA-N 2 1 293.842 3.006 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(Cl)n1 ZINC000883301892 636655840 /nfs/dbraw/zinc/65/58/40/636655840.db2.gz LAIVDFODLKDSPL-RRFJBIMHSA-N 2 1 293.842 3.006 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(Cl)n1 ZINC000883301892 636655845 /nfs/dbraw/zinc/65/58/45/636655845.db2.gz LAIVDFODLKDSPL-RRFJBIMHSA-N 2 1 293.842 3.006 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CCCSC1)[N@@H+](C)Cc1ccccc1 ZINC000131656439 636715835 /nfs/dbraw/zinc/71/58/35/636715835.db2.gz WJNNRNJBFAIZME-NVXWUHKLSA-N 2 1 292.492 3.382 20 0 CGADMP Cc1ccc(NC(=[NH2+])NCCC[N@H+](C)CC(C)C)cc1C ZINC000849047064 636731510 /nfs/dbraw/zinc/73/15/10/636731510.db2.gz OPPAFGUVBZIUOV-UHFFFAOYSA-N 2 1 290.455 3.218 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000883423952 636750331 /nfs/dbraw/zinc/75/03/31/636750331.db2.gz ABCOHGCXMJGGSB-KFWWJZLASA-N 2 1 286.410 3.276 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC[NH2+]CC1 ZINC000883424632 636752438 /nfs/dbraw/zinc/75/24/38/636752438.db2.gz YRLVWIYTUJYTTB-ZDUSSCGKSA-N 2 1 274.399 3.276 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000883430245 636753338 /nfs/dbraw/zinc/75/33/38/636753338.db2.gz QESPTXKEDRAOOP-RRFJBIMHSA-N 2 1 286.410 3.276 20 0 CGADMP Cc1cc(C[N@@H+]2CC[NH2+]CCC23CCC3)c2ccccc2n1 ZINC000883459453 636761702 /nfs/dbraw/zinc/76/17/02/636761702.db2.gz XVSVLJSUZLDBBK-UHFFFAOYSA-N 2 1 295.430 3.261 20 0 CGADMP Cc1cc(C[N@H+]2CC[NH2+]CCC23CCC3)c2ccccc2n1 ZINC000883459453 636761708 /nfs/dbraw/zinc/76/17/08/636761708.db2.gz XVSVLJSUZLDBBK-UHFFFAOYSA-N 2 1 295.430 3.261 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850423719 637056152 /nfs/dbraw/zinc/05/61/52/637056152.db2.gz CFSXMVHZAPPHLU-OAHLLOKOSA-N 2 1 290.451 3.393 20 0 CGADMP C[C@H]([NH2+][C@H]1C=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850508548 637095259 /nfs/dbraw/zinc/09/52/59/637095259.db2.gz KFVHBNHKFZDYML-JQHSSLGASA-N 2 1 270.420 3.205 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000135377116 637125330 /nfs/dbraw/zinc/12/53/30/637125330.db2.gz JCBWSIGUEUYIEN-HNNXBMFYSA-N 2 1 283.419 3.055 20 0 CGADMP CCC1([NH+]2CCC2)CCN(c2cc[nH+]cc2Cl)CC1 ZINC000884718105 637135911 /nfs/dbraw/zinc/13/59/11/637135911.db2.gz UVOMQSMEGYSHBO-UHFFFAOYSA-N 2 1 279.815 3.190 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000885894007 637308091 /nfs/dbraw/zinc/30/80/91/637308091.db2.gz CBMXHCXSKKCECD-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000885923236 637313266 /nfs/dbraw/zinc/31/32/66/637313266.db2.gz UIUGONVWEAXKKA-RCCFBDPRSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000886142770 637433505 /nfs/dbraw/zinc/43/35/05/637433505.db2.gz KPRQJLDYSCMFFB-QQNRWZHASA-N 2 1 276.399 3.160 20 0 CGADMP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000851750414 637492434 /nfs/dbraw/zinc/49/24/34/637492434.db2.gz FDEBHBFZEXPIPE-RCCFBDPRSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2cccnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886587976 637593243 /nfs/dbraw/zinc/59/32/43/637593243.db2.gz JEUOQASDJHAMAG-LESCRADOSA-N 2 1 299.462 3.312 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2cccnc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886587976 637593253 /nfs/dbraw/zinc/59/32/53/637593253.db2.gz JEUOQASDJHAMAG-LESCRADOSA-N 2 1 299.462 3.312 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2cccnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886587979 637595413 /nfs/dbraw/zinc/59/54/13/637595413.db2.gz JEUOQASDJHAMAG-ZVZYQTTQSA-N 2 1 299.462 3.312 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2cccnc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886587979 637595421 /nfs/dbraw/zinc/59/54/21/637595421.db2.gz JEUOQASDJHAMAG-ZVZYQTTQSA-N 2 1 299.462 3.312 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886612201 637605099 /nfs/dbraw/zinc/60/50/99/637605099.db2.gz FTAVNSRFAYZLFP-WWDZGPRUSA-N 3 1 295.515 3.102 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886612201 637605107 /nfs/dbraw/zinc/60/51/07/637605107.db2.gz FTAVNSRFAYZLFP-WWDZGPRUSA-N 3 1 295.515 3.102 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](CCOc2ccccc2)CC1 ZINC000886707280 637666840 /nfs/dbraw/zinc/66/68/40/637666840.db2.gz CVTKJCAXCKCRES-UHFFFAOYSA-N 2 1 288.435 3.016 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000852753959 637706881 /nfs/dbraw/zinc/70/68/81/637706881.db2.gz WFXAGKMGHJGXOO-QGZVFWFLSA-N 2 1 260.425 3.385 20 0 CGADMP c1cc(CCC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000886874248 637715276 /nfs/dbraw/zinc/71/52/76/637715276.db2.gz KAQMTUXCDBKOAI-MRXNPFEDSA-N 2 1 278.465 3.146 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000223263122 637855776 /nfs/dbraw/zinc/85/57/76/637855776.db2.gz TWWQSBIZMNECPE-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000223263122 637855785 /nfs/dbraw/zinc/85/57/85/637855785.db2.gz TWWQSBIZMNECPE-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000924557858 638361216 /nfs/dbraw/zinc/36/12/16/638361216.db2.gz UBKHSOHJKXQHBN-UHFFFAOYSA-N 2 1 266.454 3.348 20 0 CGADMP COc1ccnc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000924569940 638364342 /nfs/dbraw/zinc/36/43/42/638364342.db2.gz LXEPKRSLVZUUCK-GFCCVEGCSA-N 2 1 291.439 3.050 20 0 CGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000924597278 638371753 /nfs/dbraw/zinc/37/17/53/638371753.db2.gz FDHQYZXOTCGBHA-MSOLQXFVSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000924655900 638384124 /nfs/dbraw/zinc/38/41/24/638384124.db2.gz FESWMSYJXJDOSS-RLFYNMQTSA-N 2 1 290.451 3.040 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000924873728 638417750 /nfs/dbraw/zinc/41/77/50/638417750.db2.gz OECZWUNFYCDCJX-GFCCVEGCSA-N 2 1 268.364 3.024 20 0 CGADMP COc1nc(C)cc(C)c1C[N@@H+](C)CCCCCCC[NH3+] ZINC000857087579 638456604 /nfs/dbraw/zinc/45/66/04/638456604.db2.gz UWZIRTMIYDQSAW-UHFFFAOYSA-N 2 1 293.455 3.048 20 0 CGADMP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925530134 638520512 /nfs/dbraw/zinc/52/05/12/638520512.db2.gz JXOKAOKMOTZFAO-QGZVFWFLSA-N 2 1 295.430 3.042 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)C12CCC2 ZINC000925719128 638578917 /nfs/dbraw/zinc/57/89/17/638578917.db2.gz OWDSSOOGKMCABT-UWVGGRQHSA-N 2 1 290.354 3.126 20 0 CGADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000925742502 638593243 /nfs/dbraw/zinc/59/32/43/638593243.db2.gz UXEWPPJJBJOUCL-JTQLQIEISA-N 2 1 294.830 3.005 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842368 638629865 /nfs/dbraw/zinc/62/98/65/638629865.db2.gz MLKIWFYTHJVHJL-BMGDILEWSA-N 2 1 288.435 3.186 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CC2CCC1CC2)C1CC1 ZINC000926560565 638785444 /nfs/dbraw/zinc/78/54/44/638785444.db2.gz RVZFXAKUPAJASV-XUJLQICISA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926753492 638806846 /nfs/dbraw/zinc/80/68/46/638806846.db2.gz IEPDLFQPXWPNPH-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926753492 638806847 /nfs/dbraw/zinc/80/68/47/638806847.db2.gz IEPDLFQPXWPNPH-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926753491 638806940 /nfs/dbraw/zinc/80/69/40/638806940.db2.gz IEPDLFQPXWPNPH-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926753491 638806942 /nfs/dbraw/zinc/80/69/42/638806942.db2.gz IEPDLFQPXWPNPH-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSC3(CCC3)C2)[C@@H](C)C1 ZINC000927038920 638834600 /nfs/dbraw/zinc/83/46/00/638834600.db2.gz SCPZIDBYAAEYTI-KKUMJFAQSA-N 2 1 282.497 3.125 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)[C@H]2CCC[C@@H]21 ZINC000927100189 638841801 /nfs/dbraw/zinc/84/18/01/638841801.db2.gz HRBZLXLYEBBIRM-FZKCQIBNSA-N 2 1 294.483 3.043 20 0 CGADMP COc1cccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1C ZINC000930170562 638978778 /nfs/dbraw/zinc/97/87/78/638978778.db2.gz BLOKAEAONOWBIQ-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP COc1cccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1C ZINC000930170562 638978780 /nfs/dbraw/zinc/97/87/80/638978780.db2.gz BLOKAEAONOWBIQ-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP Cc1cncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859212152 639110479 /nfs/dbraw/zinc/11/04/79/639110479.db2.gz GWUFNNOVFHIKIY-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H](C)CCc1ccc(O)cc1)C(C)C ZINC000084523725 640607959 /nfs/dbraw/zinc/60/79/59/640607959.db2.gz VULCZGGRZPPLLX-INIZCTEOSA-N 2 1 292.467 3.422 20 0 CGADMP Cc1nc(NCC[C@H]2CCC[N@@H+](C)C2)cc(C(C)C)n1 ZINC001156381934 805681728 /nfs/dbraw/zinc/68/17/28/805681728.db2.gz XATQBXKHDIUFHV-CQSZACIVSA-N 2 1 276.428 3.052 20 0 CGADMP CCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252099161 805994254 /nfs/dbraw/zinc/99/42/54/805994254.db2.gz KOVUUNOIOUOMPJ-GOSISDBHSA-N 2 1 296.499 3.266 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1cccc(Cl)c1 ZINC001253211408 806182983 /nfs/dbraw/zinc/18/29/83/806182983.db2.gz VSYDSXGBMJILLJ-HZPDHXFCSA-N 2 1 298.858 3.083 20 0 CGADMP c1[nH]c2ccc(Nc3ccccc3O[C@@H]3CC[NH2+]C3)cc2[nH+]1 ZINC001160166383 806230904 /nfs/dbraw/zinc/23/09/04/806230904.db2.gz AZCQFHKXRXQMLC-CYBMUJFWSA-N 2 1 294.358 3.047 20 0 CGADMP COc1ccc2c(C)cc(NCC[C@H]3CCC[N@H+]3C)nc2c1 ZINC001160970937 806330866 /nfs/dbraw/zinc/33/08/66/806330866.db2.gz RDLRXPUTRZSERQ-CQSZACIVSA-N 2 1 299.418 3.448 20 0 CGADMP COc1ccc2c(C)cc(NCC[C@H]3CCC[N@@H+]3C)[nH+]c2c1 ZINC001160970937 806330874 /nfs/dbraw/zinc/33/08/74/806330874.db2.gz RDLRXPUTRZSERQ-CQSZACIVSA-N 2 1 299.418 3.448 20 0 CGADMP COc1ccc2c(C)cc(NCC[C@H]3CCC[N@H+]3C)[nH+]c2c1 ZINC001160970937 806330881 /nfs/dbraw/zinc/33/08/81/806330881.db2.gz RDLRXPUTRZSERQ-CQSZACIVSA-N 2 1 299.418 3.448 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](C3CCC4(CC4)CC3)C2)CC1 ZINC001254445334 806401438 /nfs/dbraw/zinc/40/14/38/806401438.db2.gz LEPGSABUCSVJGM-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC001254498341 806418897 /nfs/dbraw/zinc/41/88/97/806418897.db2.gz WCLZBOUFHWAVIP-HNNXBMFYSA-N 2 1 278.827 3.403 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC001254498342 806419055 /nfs/dbraw/zinc/41/90/55/806419055.db2.gz WCLZBOUFHWAVIP-OAHLLOKOSA-N 2 1 278.827 3.403 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC001254500989 806421945 /nfs/dbraw/zinc/42/19/45/806421945.db2.gz NSBTXLZOLNVQJP-MOPGFXCFSA-N 2 1 295.430 3.245 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC001254500989 806421952 /nfs/dbraw/zinc/42/19/52/806421952.db2.gz NSBTXLZOLNVQJP-MOPGFXCFSA-N 2 1 295.430 3.245 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2-c2cccnc2)CC1 ZINC001254507060 806427261 /nfs/dbraw/zinc/42/72/61/806427261.db2.gz FDJITQBHPXOIOH-SFHVURJKSA-N 2 1 295.430 3.323 20 0 CGADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@H]1CCC[N@@H+](C)CC1 ZINC001254507196 806427401 /nfs/dbraw/zinc/42/74/01/806427401.db2.gz JIYVKBFFUMORIC-HOCLYGCPSA-N 2 1 298.434 3.227 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)ccc1F ZINC001254507134 806427672 /nfs/dbraw/zinc/42/76/72/806427672.db2.gz HJGMMYCYTDCPKV-UKRRQHHQSA-N 2 1 264.388 3.269 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254509264 806428137 /nfs/dbraw/zinc/42/81/37/806428137.db2.gz XPSBXHNUBREXIM-ZBFHGGJFSA-N 2 1 276.424 3.220 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)c(F)c1 ZINC001254512981 806432983 /nfs/dbraw/zinc/43/29/83/806432983.db2.gz ULYJKVHVFBHBNI-CZUORRHYSA-N 2 1 282.378 3.490 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001254513532 806434389 /nfs/dbraw/zinc/43/43/89/806434389.db2.gz DAHCDZAUJJTGDZ-DYVFJYSZSA-N 2 1 294.389 3.416 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)[C@H]1CCC[NH+](C)CC1 ZINC001254525068 806438061 /nfs/dbraw/zinc/43/80/61/806438061.db2.gz FQJWFZJLVLEXDR-BHMZLHOFSA-N 2 1 258.409 3.116 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525068 806438064 /nfs/dbraw/zinc/43/80/64/806438064.db2.gz FQJWFZJLVLEXDR-BHMZLHOFSA-N 2 1 258.409 3.116 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525068 806438067 /nfs/dbraw/zinc/43/80/67/806438067.db2.gz FQJWFZJLVLEXDR-BHMZLHOFSA-N 2 1 258.409 3.116 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524786 806438616 /nfs/dbraw/zinc/43/86/16/806438616.db2.gz ZIKIQYDVPXAAHJ-LSDHHAIUSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524786 806438620 /nfs/dbraw/zinc/43/86/20/806438620.db2.gz ZIKIQYDVPXAAHJ-LSDHHAIUSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524786 806438626 /nfs/dbraw/zinc/43/86/26/806438626.db2.gz ZIKIQYDVPXAAHJ-LSDHHAIUSA-N 2 1 276.399 3.099 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254524640 806440176 /nfs/dbraw/zinc/44/01/76/806440176.db2.gz YBVJWLDESGKRSQ-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254524640 806440182 /nfs/dbraw/zinc/44/01/82/806440182.db2.gz YBVJWLDESGKRSQ-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254524640 806440187 /nfs/dbraw/zinc/44/01/87/806440187.db2.gz YBVJWLDESGKRSQ-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@H]1CCC[NH+](C)CC1 ZINC001254530247 806441795 /nfs/dbraw/zinc/44/17/95/806441795.db2.gz VSRHIPULUTULBQ-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP CC[NH+](Cc1cccs1)[C@H]1CCC[N@H+](C)CC1 ZINC001254530247 806441802 /nfs/dbraw/zinc/44/18/02/806441802.db2.gz VSRHIPULUTULBQ-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP CC[NH+](Cc1cccs1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530247 806441809 /nfs/dbraw/zinc/44/18/09/806441809.db2.gz VSRHIPULUTULBQ-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cn1 ZINC001254529824 806441909 /nfs/dbraw/zinc/44/19/09/806441909.db2.gz RIYDAPKJGKBZBL-DLBZAZTESA-N 2 1 273.424 3.011 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cn1 ZINC001254529824 806441913 /nfs/dbraw/zinc/44/19/13/806441913.db2.gz RIYDAPKJGKBZBL-DLBZAZTESA-N 2 1 273.424 3.011 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCC[NH+](C)CC2)cn1 ZINC001254529824 806441917 /nfs/dbraw/zinc/44/19/17/806441917.db2.gz RIYDAPKJGKBZBL-DLBZAZTESA-N 2 1 273.424 3.011 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2Cc3ccccc3C2)CC1 ZINC001255016967 806527055 /nfs/dbraw/zinc/52/70/55/806527055.db2.gz ZKLWGNCSBSIYHW-SAABIXHNSA-N 2 1 284.447 3.278 20 0 CGADMP CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255123420 806548500 /nfs/dbraw/zinc/54/85/00/806548500.db2.gz SLGZREYJYRRHEU-BJWYYQGGSA-N 2 1 270.420 3.324 20 0 CGADMP CCCc1cc(NC[C@]2(CC3CC3)CCC[NH2+]2)nc(C)[nH+]1 ZINC001162351128 806561594 /nfs/dbraw/zinc/56/15/94/806561594.db2.gz UNAHSOVMCQDHJR-QGZVFWFLSA-N 2 1 288.439 3.072 20 0 CGADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389472 806633791 /nfs/dbraw/zinc/63/37/91/806633791.db2.gz MZGUTAILXXBAHN-SJORKVTESA-N 2 1 272.436 3.429 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255501136 806654460 /nfs/dbraw/zinc/65/44/60/806654460.db2.gz VCWOWIJSAKLSLJ-XNIRIUNOSA-N 2 1 278.484 3.475 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)[nH+]c2c1C ZINC001162800685 806668116 /nfs/dbraw/zinc/66/81/16/806668116.db2.gz COQFJCCLVGLHPM-USXIJHARSA-N 2 1 293.414 3.346 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)[nH+]c2c1C ZINC001162800682 806668321 /nfs/dbraw/zinc/66/83/21/806668321.db2.gz COQFJCCLVGLHPM-BHYGNILZSA-N 2 1 293.414 3.346 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000037643895 798871915 /nfs/dbraw/zinc/87/19/15/798871915.db2.gz OIISBIQOWZUXTL-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001255667714 806700538 /nfs/dbraw/zinc/70/05/38/806700538.db2.gz PWYBHZFWSZDURN-NPYXIHBLSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001255667714 806700541 /nfs/dbraw/zinc/70/05/41/806700541.db2.gz PWYBHZFWSZDURN-NPYXIHBLSA-N 2 1 273.424 3.138 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255667176 806700596 /nfs/dbraw/zinc/70/05/96/806700596.db2.gz DCRCYUNOTHOULT-OOKSDGMUSA-N 3 1 295.515 3.102 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255667176 806700599 /nfs/dbraw/zinc/70/05/99/806700599.db2.gz DCRCYUNOTHOULT-OOKSDGMUSA-N 3 1 295.515 3.102 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2ccccc21 ZINC000085622290 798942486 /nfs/dbraw/zinc/94/24/86/798942486.db2.gz OJORQWDRPDTVPC-CQSZACIVSA-N 2 1 254.377 3.024 20 0 CGADMP COc1ccc2[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)cc(C)c2c1 ZINC000146294955 799048267 /nfs/dbraw/zinc/04/82/67/799048267.db2.gz BCHUCHDNBMTTSS-STQMWFEESA-N 2 1 285.391 3.234 20 0 CGADMP CCc1cccc2c(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c[nH]c21 ZINC000163394374 799082397 /nfs/dbraw/zinc/08/23/97/799082397.db2.gz DIRZVVFCWAYYTC-UKRRQHHQSA-N 2 1 285.435 3.147 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001255737581 806727343 /nfs/dbraw/zinc/72/73/43/806727343.db2.gz IWKPLFGHVCMESV-LBPRGKRZSA-N 2 1 293.411 3.267 20 0 CGADMP FC(F)(F)[C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001255726777 806721909 /nfs/dbraw/zinc/72/19/09/806721909.db2.gz QPXYTZMCZTVLIU-GXTWGEPZSA-N 2 1 290.373 3.278 20 0 CGADMP COc1ccc2c(cc[nH+]c2Nc2cccc(CC[NH3+])c2)c1 ZINC000313154129 799229678 /nfs/dbraw/zinc/22/96/78/799229678.db2.gz DWCYOMSCMZJEKT-UHFFFAOYSA-N 2 1 293.370 3.488 20 0 CGADMP CCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379642428 799351878 /nfs/dbraw/zinc/35/18/78/799351878.db2.gz DXBUUUUNBJTWPJ-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP CCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379642428 799351886 /nfs/dbraw/zinc/35/18/86/799351886.db2.gz DXBUUUUNBJTWPJ-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP CC(C)(C)CC(C)(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000381064440 799370346 /nfs/dbraw/zinc/37/03/46/799370346.db2.gz XSPJWCDOJMGVFP-UHFFFAOYSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000381316929 799376766 /nfs/dbraw/zinc/37/67/66/799376766.db2.gz FECXZQVSMWMOGS-GYTBAZASSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000381316929 799376776 /nfs/dbraw/zinc/37/67/76/799376776.db2.gz FECXZQVSMWMOGS-GYTBAZASSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000394534923 799498025 /nfs/dbraw/zinc/49/80/25/799498025.db2.gz NEFHBHQPFJSAMO-QVOMUQBLSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403514020 799567440 /nfs/dbraw/zinc/56/74/40/799567440.db2.gz AKLYCNBNPZKHRE-WZYMTQMTSA-N 2 1 282.497 3.267 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1OC(F)F ZINC000405353969 799583938 /nfs/dbraw/zinc/58/39/38/799583938.db2.gz PYGNAGWTTNUYEH-BPNCWPANSA-N 2 1 296.361 3.209 20 0 CGADMP C[C@@]1([NH3+])CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000405834288 799586927 /nfs/dbraw/zinc/58/69/27/799586927.db2.gz UTRRBHLJDUBRKG-LJQANCHMSA-N 2 1 280.415 3.242 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccccc1F ZINC001255858631 806771475 /nfs/dbraw/zinc/77/14/75/806771475.db2.gz ZETINFBWYIQJPX-AWEZNQCLSA-N 2 1 266.404 3.030 20 0 CGADMP C[N@@H+](CCC(C)(C)C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687960667 799741059 /nfs/dbraw/zinc/74/10/59/799741059.db2.gz DLWCAWQMUHPXTD-UHFFFAOYSA-N 2 1 266.454 3.262 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000697904166 799850130 /nfs/dbraw/zinc/85/01/30/799850130.db2.gz NBVJBLQNUKDAPZ-OLZOCXBDSA-N 2 1 260.381 3.424 20 0 CGADMP C[N@@H+](CC1CCC2(CC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000698704399 799856523 /nfs/dbraw/zinc/85/65/23/799856523.db2.gz BLFFINGHZOUHKG-XYPWUTKMSA-N 2 1 262.441 3.172 20 0 CGADMP c1cncc(CN2C[C@@H]3C[N@@H+](C4CCCCCC4)C[C@@H]3C2)c1 ZINC001255888359 806783812 /nfs/dbraw/zinc/78/38/12/806783812.db2.gz GVHNMLRKJGNFAT-HDICACEKSA-N 2 1 299.462 3.168 20 0 CGADMP CCc1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700830267 799881666 /nfs/dbraw/zinc/88/16/66/799881666.db2.gz HQCPLSGDQINCDS-HNNXBMFYSA-N 2 1 260.425 3.071 20 0 CGADMP FC1(F)CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000705697644 799952940 /nfs/dbraw/zinc/95/29/40/799952940.db2.gz VLVCAMCGWCCYDV-AGUYFDCRSA-N 2 1 272.383 3.028 20 0 CGADMP C[C@H]1CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708554306 799992691 /nfs/dbraw/zinc/99/26/91/799992691.db2.gz XHFQZNHWLMHDLJ-CIRFHOKZSA-N 2 1 272.436 3.143 20 0 CGADMP C(C[N@H+]1CC[C@@H](C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000708823681 799995459 /nfs/dbraw/zinc/99/54/59/799995459.db2.gz WXWMATIKUQYDSE-IAGOWNOFSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000709123897 800004850 /nfs/dbraw/zinc/00/48/50/800004850.db2.gz GEGVRMMUTDNTPY-GRDNDAEWSA-N 2 1 262.441 3.172 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000709815473 800019076 /nfs/dbraw/zinc/01/90/76/800019076.db2.gz GQNSGMAJUJHOFA-YUTCNCBUSA-N 2 1 284.325 3.017 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000709815473 800019082 /nfs/dbraw/zinc/01/90/82/800019082.db2.gz GQNSGMAJUJHOFA-YUTCNCBUSA-N 2 1 284.325 3.017 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC001255954303 806796825 /nfs/dbraw/zinc/79/68/25/806796825.db2.gz TUCQJOVHARHGFC-HNNXBMFYSA-N 2 1 290.451 3.394 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccnc2ccccc12 ZINC000710836523 800040029 /nfs/dbraw/zinc/04/00/29/800040029.db2.gz JWRCSDMZKIKWLX-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(F)c(Cl)c1 ZINC000710800075 800040204 /nfs/dbraw/zinc/04/02/04/800040204.db2.gz RYRCIMPCMCJTGG-UHFFFAOYSA-N 2 1 272.795 3.430 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710820014 800040848 /nfs/dbraw/zinc/04/08/48/800040848.db2.gz UFATZXNLLBYZFG-UHFFFAOYSA-N 2 1 264.413 3.036 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1cccc(N)n1)C(C)C ZINC001255955875 806797866 /nfs/dbraw/zinc/79/78/66/806797866.db2.gz XBQTWRPMXWWBGO-RHSMWYFYSA-N 2 1 292.471 3.071 20 0 CGADMP C1=C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000711711825 800069636 /nfs/dbraw/zinc/06/96/36/800069636.db2.gz RRYOGWQYBPWDEB-INIZCTEOSA-N 2 1 270.420 3.207 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001255964071 806803197 /nfs/dbraw/zinc/80/31/97/806803197.db2.gz OBUNJYFWDULQOD-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001255964071 806803205 /nfs/dbraw/zinc/80/32/05/806803205.db2.gz OBUNJYFWDULQOD-XHSDSOJGSA-N 2 1 252.446 3.371 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000714760034 800128484 /nfs/dbraw/zinc/12/84/84/800128484.db2.gz ZOMSTBZANLXRQB-UHFFFAOYSA-N 2 1 258.365 3.136 20 0 CGADMP C=Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256067893 806809437 /nfs/dbraw/zinc/80/94/37/806809437.db2.gz MVJITLKEFVAAFE-UHFFFAOYSA-N 2 1 256.393 3.046 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC001256070967 806810502 /nfs/dbraw/zinc/81/05/02/806810502.db2.gz JOKRWKXUQIOYAS-KRWDZBQOSA-N 2 1 273.424 3.139 20 0 CGADMP Cc1cncc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC001256074106 806813154 /nfs/dbraw/zinc/81/31/54/806813154.db2.gz LFLCYBVKTFNEHY-GOSISDBHSA-N 2 1 285.435 3.058 20 0 CGADMP Cc1cc(C)[nH+]c(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC000721836826 800301498 /nfs/dbraw/zinc/30/14/98/800301498.db2.gz LDZBIEMXJNIQJR-CQSZACIVSA-N 2 1 267.376 3.283 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000723608841 800329537 /nfs/dbraw/zinc/32/95/37/800329537.db2.gz SBDZJADQTCSYHG-RBZJEDDUSA-N 2 1 250.430 3.075 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723670729 800336370 /nfs/dbraw/zinc/33/63/70/800336370.db2.gz JEJVRUVQTPGRQM-NEPJUHHUSA-N 2 1 252.789 3.072 20 0 CGADMP Cc1ccccc1CC1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256199008 806846996 /nfs/dbraw/zinc/84/69/96/806846996.db2.gz FZIZICLZJYNJKO-UHFFFAOYSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1ccccc1CC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC001256199927 806847832 /nfs/dbraw/zinc/84/78/32/806847832.db2.gz YWQYPWMLNWJBTA-UHFFFAOYSA-N 2 1 274.452 3.248 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257477045 807175523 /nfs/dbraw/zinc/17/55/23/807175523.db2.gz ICXMFQRQGGZBMX-TWMKSMIVSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257477045 807175527 /nfs/dbraw/zinc/17/55/27/807175527.db2.gz ICXMFQRQGGZBMX-TWMKSMIVSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257477045 807175530 /nfs/dbraw/zinc/17/55/30/807175530.db2.gz ICXMFQRQGGZBMX-TWMKSMIVSA-N 2 1 266.473 3.475 20 0 CGADMP CN1CCC([N@H+]2CCCC[C@H]2c2ccccc2F)CC1 ZINC001256207514 806850051 /nfs/dbraw/zinc/85/00/51/806850051.db2.gz KZFIYWSDVACIMH-KRWDZBQOSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC(N2CCCC[C@H]2c2ccccc2F)CC1 ZINC001256207514 806850059 /nfs/dbraw/zinc/85/00/59/806850059.db2.gz KZFIYWSDVACIMH-KRWDZBQOSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(CCc3ccccc3)CC2)CC1 ZINC001256207702 806850679 /nfs/dbraw/zinc/85/06/79/806850679.db2.gz OXGAEZLQOIOADI-UHFFFAOYSA-N 2 1 286.463 3.425 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371008 806874098 /nfs/dbraw/zinc/87/40/98/806874098.db2.gz FCVSUGFQJOHWKF-OAGGEKHMSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371008 806874106 /nfs/dbraw/zinc/87/41/06/806874106.db2.gz FCVSUGFQJOHWKF-OAGGEKHMSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371008 806874113 /nfs/dbraw/zinc/87/41/13/806874113.db2.gz FCVSUGFQJOHWKF-OAGGEKHMSA-N 2 1 252.446 3.085 20 0 CGADMP COCC(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256524809 806909206 /nfs/dbraw/zinc/90/92/06/806909206.db2.gz YPBSRDWRWMSHSM-WBVHZDCISA-N 2 1 290.451 3.054 20 0 CGADMP COCC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256524809 806909212 /nfs/dbraw/zinc/90/92/12/806909212.db2.gz YPBSRDWRWMSHSM-WBVHZDCISA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537520 806911931 /nfs/dbraw/zinc/91/19/31/806911931.db2.gz NTPJACLOHHWFNE-DOTOQJQBSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537520 806911935 /nfs/dbraw/zinc/91/19/35/806911935.db2.gz NTPJACLOHHWFNE-DOTOQJQBSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CC3CC(C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556740 806914849 /nfs/dbraw/zinc/91/48/49/806914849.db2.gz GLPRJBAEYSFSCX-JYPHPWERSA-N 2 1 284.447 3.381 20 0 CGADMP Cc1cc(F)cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256562213 806916675 /nfs/dbraw/zinc/91/66/75/806916675.db2.gz MGQFBWMRIXSTAZ-UHFFFAOYSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)[N@H+](C1CCN(C(C)(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256567004 806918217 /nfs/dbraw/zinc/91/82/17/806918217.db2.gz PRUMMLCQCSZPMB-WKILWMFISA-N 2 1 295.515 3.230 20 0 CGADMP CC(C)[N@@H+](C1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256567004 806918223 /nfs/dbraw/zinc/91/82/23/806918223.db2.gz PRUMMLCQCSZPMB-WKILWMFISA-N 3 1 295.515 3.230 20 0 CGADMP CC(C)[N@H+](C1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256567004 806918229 /nfs/dbraw/zinc/91/82/29/806918229.db2.gz PRUMMLCQCSZPMB-WKILWMFISA-N 3 1 295.515 3.230 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)[C@@H]1C ZINC001256571510 806919877 /nfs/dbraw/zinc/91/98/77/806919877.db2.gz ITOFHKPSEGUKIT-ZIAGYGMSSA-N 2 1 252.446 3.370 20 0 CGADMP C[C@@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001256617813 806927177 /nfs/dbraw/zinc/92/71/77/806927177.db2.gz WDODEHVGXCBYMY-KTFSGNIMSA-N 2 1 297.446 3.329 20 0 CGADMP C[C@H]([NH3+])c1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001256621199 806928676 /nfs/dbraw/zinc/92/86/76/806928676.db2.gz MBGFVXVXSVAYJT-RDGKXADDSA-N 2 1 283.419 3.459 20 0 CGADMP COc1ccccc1[C@@H](C)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628851 806931975 /nfs/dbraw/zinc/93/19/75/806931975.db2.gz REVOPDFTJIGJIF-JZWPEALZSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628851 806931979 /nfs/dbraw/zinc/93/19/79/806931979.db2.gz REVOPDFTJIGJIF-JZWPEALZSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628851 806931984 /nfs/dbraw/zinc/93/19/84/806931984.db2.gz REVOPDFTJIGJIF-JZWPEALZSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628851 806931986 /nfs/dbraw/zinc/93/19/86/806931986.db2.gz REVOPDFTJIGJIF-JZWPEALZSA-N 2 1 288.435 3.313 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001116511729 802367815 /nfs/dbraw/zinc/36/78/15/802367815.db2.gz KQCWDLWNCFAGII-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)[C@H]1C ZINC001116521178 802369274 /nfs/dbraw/zinc/36/92/74/802369274.db2.gz IGDQTPXWMHHCDO-LYYZXLFJSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118507040 802579434 /nfs/dbraw/zinc/57/94/34/802579434.db2.gz TULZTXRAYYLDDE-CYBMUJFWSA-N 2 1 274.399 3.133 20 0 CGADMP C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256902413 807004269 /nfs/dbraw/zinc/00/42/69/807004269.db2.gz UIENUXOTVQMUBD-CVEARBPZSA-N 2 1 296.499 3.313 20 0 CGADMP C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256902413 807004275 /nfs/dbraw/zinc/00/42/75/807004275.db2.gz UIENUXOTVQMUBD-CVEARBPZSA-N 2 1 296.499 3.313 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1CCCC2 ZINC001206812225 813442936 /nfs/dbraw/zinc/44/29/36/813442936.db2.gz YIJBXSVJNDIGND-CABCVRRESA-N 2 1 272.436 3.125 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001206809957 813443166 /nfs/dbraw/zinc/44/31/66/813443166.db2.gz MPQBZTSJGHPSJN-WBVHZDCISA-N 2 1 290.451 3.341 20 0 CGADMP CC(C)Oc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1F ZINC001206812249 813443709 /nfs/dbraw/zinc/44/37/09/813443709.db2.gz YRWQESSCEKOUMY-ZFWWWQNUSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1F ZINC001206812249 813443714 /nfs/dbraw/zinc/44/37/14/813443714.db2.gz YRWQESSCEKOUMY-ZFWWWQNUSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001208186391 813735274 /nfs/dbraw/zinc/73/52/74/813735274.db2.gz PXAWAZYQOWEEEO-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@@H]1C ZINC001208185029 813735486 /nfs/dbraw/zinc/73/54/86/813735486.db2.gz UCMBDQKTKNGRSS-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP CCOC(=[NH2+])c1ccc(-c2cccc(OCC[NH3+])c2)cc1 ZINC001244324664 803303854 /nfs/dbraw/zinc/30/38/54/803303854.db2.gz CPXGRBYOQFRBSW-UHFFFAOYSA-N 2 1 284.359 3.053 20 0 CGADMP Cc1cc(C)c(C2=CC[C@H]([NH+]3CCOCC3)CC2)c(C)[nH+]1 ZINC001245426782 803733767 /nfs/dbraw/zinc/73/37/67/803733767.db2.gz DKOREXUZXQUIBV-KRWDZBQOSA-N 2 1 286.419 3.275 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)c2ccccc12 ZINC001138062716 803845875 /nfs/dbraw/zinc/84/58/75/803845875.db2.gz XOILTQCDKZYBKD-UHFFFAOYSA-N 2 1 286.419 3.319 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1N1CCCC1 ZINC001138615336 803981263 /nfs/dbraw/zinc/98/12/63/803981263.db2.gz MOFCHYQAZZHLFQ-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CCCC1 ZINC001138615336 803981268 /nfs/dbraw/zinc/98/12/68/803981268.db2.gz MOFCHYQAZZHLFQ-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246093812 804124940 /nfs/dbraw/zinc/12/49/40/804124940.db2.gz YBFGIMHZWDPXEV-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@]1([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]C1 ZINC001246096199 804128036 /nfs/dbraw/zinc/12/80/36/804128036.db2.gz IUNQKGYCHOEIHT-DOMZBBRYSA-N 2 1 299.245 3.192 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC001246100186 804133189 /nfs/dbraw/zinc/13/31/89/804133189.db2.gz WBMXKCYCIQQZAV-URGYJCLVSA-N 2 1 252.446 3.179 20 0 CGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)[NH2+]C1 ZINC001246104375 804136775 /nfs/dbraw/zinc/13/67/75/804136775.db2.gz JNECYEDCJBENRK-BPLDGKMQSA-N 2 1 292.854 3.175 20 0 CGADMP C1CCC2(CC1)CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246109852 804141727 /nfs/dbraw/zinc/14/17/27/804141727.db2.gz JWBSTDIYHIGOSC-LSDHHAIUSA-N 2 1 250.430 3.221 20 0 CGADMP CC[NH+](CC)C1CC[NH+](Cc2cccc3c2ccn3C)CC1 ZINC001139161369 804146732 /nfs/dbraw/zinc/14/67/32/804146732.db2.gz ZJJDKOJVJCKVAV-UHFFFAOYSA-N 2 1 299.462 3.485 20 0 CGADMP CCCCCC[C@@H](CC)[NH2+][C@@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246122852 804152564 /nfs/dbraw/zinc/15/25/64/804152564.db2.gz BTJFTPOUDZZJJQ-NVXWUHKLSA-N 2 1 298.471 3.010 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3cccc(C)c23)CC1 ZINC001139200533 804159791 /nfs/dbraw/zinc/15/97/91/804159791.db2.gz ZQBJENDAJZEOQA-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3cccc(C)c23)CC1 ZINC001139200533 804159794 /nfs/dbraw/zinc/15/97/94/804159794.db2.gz ZQBJENDAJZEOQA-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C[NH2+]1 ZINC001246156984 804172517 /nfs/dbraw/zinc/17/25/17/804172517.db2.gz FAWVFZLRZOLIQQ-ZYHUDNBSSA-N 2 1 287.234 3.266 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159160 804175760 /nfs/dbraw/zinc/17/57/60/804175760.db2.gz INGUZBMZGYCWCT-RCCFBDPRSA-N 2 1 296.499 3.482 20 0 CGADMP F[C@]1(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246181680 804195792 /nfs/dbraw/zinc/19/57/92/804195792.db2.gz RMNHPTHRQLRZPN-RCCFBDPRSA-N 2 1 290.426 3.394 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246189616 804199720 /nfs/dbraw/zinc/19/97/20/804199720.db2.gz OKZPFRIAQDQTTA-IAQYHMDHSA-N 2 1 284.806 3.142 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246192040 804200575 /nfs/dbraw/zinc/20/05/75/804200575.db2.gz YBCXDQJCIUFJIS-SJORKVTESA-N 2 1 260.425 3.130 20 0 CGADMP CC[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193602 804202190 /nfs/dbraw/zinc/20/21/90/804202190.db2.gz BIKIPNVIZJWXEH-ZJPYXAASSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193602 804202198 /nfs/dbraw/zinc/20/21/98/804202198.db2.gz BIKIPNVIZJWXEH-ZJPYXAASSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193602 804202206 /nfs/dbraw/zinc/20/22/06/804202206.db2.gz BIKIPNVIZJWXEH-ZJPYXAASSA-N 3 1 295.515 3.150 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[NH2+][C@H](C)C[NH3+])ccc2c1 ZINC001246198857 804204757 /nfs/dbraw/zinc/20/47/57/804204757.db2.gz GXVBOQOGKRUGHZ-ZIAGYGMSSA-N 2 1 286.419 3.106 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]C(C)(C)c1ccccc1Br ZINC001246254437 804239032 /nfs/dbraw/zinc/23/90/32/804239032.db2.gz QKRUZFFWBSXLQG-LLVKDONJSA-N 2 1 299.256 3.272 20 0 CGADMP CCCCC(=O)[C@H](C)[NH2+]C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246272948 804249074 /nfs/dbraw/zinc/24/90/74/804249074.db2.gz MZYSRYNVZSYQHF-BFHYXJOUSA-N 2 1 268.445 3.033 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299341 804266899 /nfs/dbraw/zinc/26/68/99/804266899.db2.gz JJDRTSMAAMAZMD-HYVNUMGLSA-N 2 1 262.441 3.361 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(OC)c2)CC[NH2+]1 ZINC001246316654 804277428 /nfs/dbraw/zinc/27/74/28/804277428.db2.gz IVGBKTNXSSPAQI-GJZGRUSLSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246326538 804281901 /nfs/dbraw/zinc/28/19/01/804281901.db2.gz PWPGTQUQYLDVNR-DZUCGIPZSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246326088 804283118 /nfs/dbraw/zinc/28/31/18/804283118.db2.gz NATMSHSOFUCMJF-ZOWXZIJZSA-N 2 1 266.816 3.001 20 0 CGADMP CCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246341253 804293091 /nfs/dbraw/zinc/29/30/91/804293091.db2.gz OCRBKVAYJWBAMF-RWMBFGLXSA-N 2 1 280.378 3.475 20 0 CGADMP CCCCC1CCC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246342988 804294683 /nfs/dbraw/zinc/29/46/83/804294683.db2.gz QLEGLPRRYUJUEB-SLTXQBBLSA-N 2 1 252.446 3.466 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2F)CC[NH2+]1 ZINC001246352438 804299902 /nfs/dbraw/zinc/29/99/02/804299902.db2.gz OPMPVWDIXMIFDK-CABCVRRESA-N 2 1 294.414 3.235 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246356700 804301831 /nfs/dbraw/zinc/30/18/31/804301831.db2.gz PJJILUFVMIJHDT-CPUCHLNUSA-N 2 1 273.424 3.054 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C)cc1C ZINC001246375747 804309545 /nfs/dbraw/zinc/30/95/45/804309545.db2.gz KLEOQVNOXTWJGH-DOTOQJQBSA-N 2 1 260.425 3.486 20 0 CGADMP Fc1ccccc1[C@@H](CC1CCC1)[NH2+]C1CC[NH2+]CC1 ZINC001246407492 804324699 /nfs/dbraw/zinc/32/46/99/804324699.db2.gz SUHSXPFJRTWVQA-QGZVFWFLSA-N 2 1 276.399 3.399 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+](C)CCC1CC1 ZINC001140026648 804354427 /nfs/dbraw/zinc/35/44/27/804354427.db2.gz OMIKKEMBDGUTPY-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCC1CC1 ZINC001140026648 804354434 /nfs/dbraw/zinc/35/44/34/804354434.db2.gz OMIKKEMBDGUTPY-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCC1CC1 ZINC001140026648 804354444 /nfs/dbraw/zinc/35/44/44/804354444.db2.gz OMIKKEMBDGUTPY-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC001140028573 804354709 /nfs/dbraw/zinc/35/47/09/804354709.db2.gz XMEBHAYZPOBPPQ-KRWDZBQOSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC001140028573 804354714 /nfs/dbraw/zinc/35/47/14/804354714.db2.gz XMEBHAYZPOBPPQ-KRWDZBQOSA-N 2 1 299.418 3.182 20 0 CGADMP CC[C@H]1CC([N@H+]2CCc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246518471 804371252 /nfs/dbraw/zinc/37/12/52/804371252.db2.gz GNDMDQVVJMVZCO-IRXDYDNUSA-N 2 1 272.436 3.354 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246519526 804372904 /nfs/dbraw/zinc/37/29/04/804372904.db2.gz OAZBEVOHCHBVFY-QLFBSQMISA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)C)CC[NH2+]1 ZINC001246520658 804375052 /nfs/dbraw/zinc/37/50/52/804375052.db2.gz USSUAZGNVCHSKX-IRXDYDNUSA-N 2 1 260.425 3.428 20 0 CGADMP CC[N@@H+](C1CC1)[C@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246524475 804378493 /nfs/dbraw/zinc/37/84/93/804378493.db2.gz RPYOLKPKHKKTFY-DOTOQJQBSA-N 2 1 276.399 3.412 20 0 CGADMP [NH3+][C@@H]1C[N@@H+](C2CCC(Cc3ccccc3)CC2)CC12CC2 ZINC001246530735 804380563 /nfs/dbraw/zinc/38/05/63/804380563.db2.gz AVOYGZSQHDLMOR-DAWZGUTISA-N 2 1 284.447 3.211 20 0 CGADMP [NH3+][C@@H]1C[N@H+](C2CCC(Cc3ccccc3)CC2)CC12CC2 ZINC001246530735 804380572 /nfs/dbraw/zinc/38/05/72/804380572.db2.gz AVOYGZSQHDLMOR-DAWZGUTISA-N 2 1 284.447 3.211 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552854 804402247 /nfs/dbraw/zinc/40/22/47/804402247.db2.gz WBFCPUOREYADPV-KKUMJFAQSA-N 2 1 258.425 3.354 20 0 CGADMP CCC[N@@H+]([C@H](C)CC)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246530004 804381823 /nfs/dbraw/zinc/38/18/23/804381823.db2.gz MRMDNWWUDDVUDO-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cccc(C[N@H+](C)C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246528706 804382250 /nfs/dbraw/zinc/38/22/50/804382250.db2.gz ZQOOWMXPGRGEFI-UHFFFAOYSA-N 2 1 272.436 3.349 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532733 804383895 /nfs/dbraw/zinc/38/38/95/804383895.db2.gz JSMISIJCDJZQHY-IAGOWNOFSA-N 2 1 272.436 3.067 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532733 804383905 /nfs/dbraw/zinc/38/39/05/804383905.db2.gz JSMISIJCDJZQHY-IAGOWNOFSA-N 2 1 272.436 3.067 20 0 CGADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539292 804388053 /nfs/dbraw/zinc/38/80/53/804388053.db2.gz HDWUTEXINJPXNW-IKGGRYGDSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001246540635 804391400 /nfs/dbraw/zinc/39/14/00/804391400.db2.gz FDJSJPZBCGPFSY-FIHXEBHWSA-N 2 1 284.447 3.235 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246545639 804392648 /nfs/dbraw/zinc/39/26/48/804392648.db2.gz HJEWACCTQRPVLP-IEBWSBKVSA-N 2 1 284.447 3.275 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@](F)(C[NH3+])CC1)C2 ZINC001246547303 804394768 /nfs/dbraw/zinc/39/47/68/804394768.db2.gz HRYFDWJMMVJXIS-FUHWJXTLSA-N 2 1 290.426 3.005 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246546402 804396023 /nfs/dbraw/zinc/39/60/23/804396023.db2.gz CRTXXJNZTDCJKN-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC001246549482 804397905 /nfs/dbraw/zinc/39/79/05/804397905.db2.gz JAZOYEOAYDPQEL-YJBOKZPZSA-N 2 1 274.452 3.111 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246548047 804399265 /nfs/dbraw/zinc/39/92/65/804399265.db2.gz FGFSLIJIHZTBIF-JKSUJKDBSA-N 2 1 278.827 3.011 20 0 CGADMP c1ccc([C@@H]2CCCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246549300 804399609 /nfs/dbraw/zinc/39/96/09/804399609.db2.gz JKKRNGJMAHPLRO-SJORKVTESA-N 2 1 258.409 3.356 20 0 CGADMP c1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246549300 804399616 /nfs/dbraw/zinc/39/96/16/804399616.db2.gz JKKRNGJMAHPLRO-SJORKVTESA-N 2 1 258.409 3.356 20 0 CGADMP CC1(C)CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246549961 804400366 /nfs/dbraw/zinc/40/03/66/804400366.db2.gz MVGXJPZZCZTXJZ-DLBZAZTESA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC001246551227 804401003 /nfs/dbraw/zinc/40/10/03/804401003.db2.gz XNQRTXWXFDQULR-BMFZPTHFSA-N 2 1 258.409 3.136 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](C(C)C)C1)CC2 ZINC001246551287 804401230 /nfs/dbraw/zinc/40/12/30/804401230.db2.gz XSKUNAJFSHWFLE-QZTJIDSGSA-N 2 1 272.436 3.130 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246550179 804401276 /nfs/dbraw/zinc/40/12/76/804401276.db2.gz UUNLGYQECPCAAX-RTBURBONSA-N 2 1 284.447 3.275 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246552057 804401875 /nfs/dbraw/zinc/40/18/75/804401875.db2.gz NQUGZEIXQGPNRA-DLBZAZTESA-N 2 1 292.854 3.401 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246552295 804402110 /nfs/dbraw/zinc/40/21/10/804402110.db2.gz YAQTVEVIIKMYLO-OIISXLGYSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246552295 804402114 /nfs/dbraw/zinc/40/21/14/804402114.db2.gz YAQTVEVIIKMYLO-OIISXLGYSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246552294 804402753 /nfs/dbraw/zinc/40/27/53/804402753.db2.gz YAQTVEVIIKMYLO-HYVNUMGLSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246552294 804402757 /nfs/dbraw/zinc/40/27/57/804402757.db2.gz YAQTVEVIIKMYLO-HYVNUMGLSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001246553500 804405043 /nfs/dbraw/zinc/40/50/43/804405043.db2.gz BBUFTYFZMHRWHF-YVECIDJPSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001246553500 804405046 /nfs/dbraw/zinc/40/50/46/804405046.db2.gz BBUFTYFZMHRWHF-YVECIDJPSA-N 2 1 278.362 3.167 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](F)CC2)CC[NH2+]1 ZINC001246560055 804408775 /nfs/dbraw/zinc/40/87/75/804408775.db2.gz RNMIHUUNYUOJFI-RBSFLKMASA-N 2 1 256.409 3.121 20 0 CGADMP CCCOC1CCC([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC1 ZINC001246562012 804412258 /nfs/dbraw/zinc/41/22/58/804412258.db2.gz VHFIODQQOGSAHT-XNIRIUNOSA-N 2 1 282.472 3.031 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001246563459 804412289 /nfs/dbraw/zinc/41/22/89/804412289.db2.gz XBCKEUNUDIYFLK-RYRKJORJSA-N 2 1 274.452 3.233 20 0 CGADMP CC(C)OC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246564753 804413440 /nfs/dbraw/zinc/41/34/40/804413440.db2.gz GLZSGEICSJQCJN-JUVOFCAFSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC(C)(C)CC2)CCC[C@@H]1C[NH3+] ZINC001246567693 804415272 /nfs/dbraw/zinc/41/52/72/804415272.db2.gz MMRXEUKFMRNEIV-ZIAGYGMSSA-N 2 1 252.446 3.262 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573467 804420486 /nfs/dbraw/zinc/42/04/86/804420486.db2.gz CVQADSRFIQOQFM-GXTWGEPZSA-N 2 1 276.465 3.060 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573467 804420491 /nfs/dbraw/zinc/42/04/91/804420491.db2.gz CVQADSRFIQOQFM-GXTWGEPZSA-N 2 1 276.465 3.060 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246571437 804418601 /nfs/dbraw/zinc/41/86/01/804418601.db2.gz SBFIPXKFCZZGCF-QLFBSQMISA-N 2 1 258.425 3.353 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246571437 804418606 /nfs/dbraw/zinc/41/86/06/804418606.db2.gz SBFIPXKFCZZGCF-QLFBSQMISA-N 2 1 258.425 3.353 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001246574277 804420985 /nfs/dbraw/zinc/42/09/85/804420985.db2.gz UDGCUVLZWNXXEU-GJZGRUSLSA-N 2 1 278.465 3.017 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001246574277 804420987 /nfs/dbraw/zinc/42/09/87/804420987.db2.gz UDGCUVLZWNXXEU-GJZGRUSLSA-N 2 1 278.465 3.017 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001246575025 804422526 /nfs/dbraw/zinc/42/25/26/804422526.db2.gz GLTVAWWOSGGVRX-JHJVBQTASA-N 2 1 296.352 3.260 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001246575025 804422529 /nfs/dbraw/zinc/42/25/29/804422529.db2.gz GLTVAWWOSGGVRX-JHJVBQTASA-N 2 1 296.352 3.260 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001246577223 804423004 /nfs/dbraw/zinc/42/30/04/804423004.db2.gz NQEDQXWRHKJHNA-CRAIPNDOSA-N 2 1 290.426 3.134 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246574898 804423130 /nfs/dbraw/zinc/42/31/30/804423130.db2.gz JNYQDCRHGATOBE-YOEHRIQHSA-N 2 1 278.415 3.208 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246577940 804424709 /nfs/dbraw/zinc/42/47/09/804424709.db2.gz UQJDXOOXYZNXPF-YCPHGPKFSA-N 2 1 270.436 3.367 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)CC2)CC[NH2+]1 ZINC001246587245 804430504 /nfs/dbraw/zinc/43/05/04/804430504.db2.gz QBSJSGXIKNDENJ-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246589747 804431117 /nfs/dbraw/zinc/43/11/17/804431117.db2.gz FMKFCMJPKPWYPB-CRAIPNDOSA-N 2 1 290.426 3.134 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246588424 804431378 /nfs/dbraw/zinc/43/13/78/804431378.db2.gz ZFTWZPNZFASABZ-PBHICJAKSA-N 2 1 278.415 3.208 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246593343 804434994 /nfs/dbraw/zinc/43/49/94/804434994.db2.gz MECBADNIJMQYQF-IXDOHACOSA-N 2 1 284.488 3.433 20 0 CGADMP CC(C)CC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246602831 804439970 /nfs/dbraw/zinc/43/99/70/804439970.db2.gz CVLBGMICSZJZQA-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@]23CCC[NH2+]CC3)C[C@H](C)C1 ZINC001246605492 804441582 /nfs/dbraw/zinc/44/15/82/804441582.db2.gz KGFZODVVTMLBHK-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CC[C@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246607476 804442791 /nfs/dbraw/zinc/44/27/91/804442791.db2.gz DYYUCTPVZARDDA-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246611480 804444520 /nfs/dbraw/zinc/44/45/20/804444520.db2.gz QCLBXRAYYDLXRG-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246611480 804444524 /nfs/dbraw/zinc/44/45/24/804444524.db2.gz QCLBXRAYYDLXRG-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246611481 804445023 /nfs/dbraw/zinc/44/50/23/804445023.db2.gz QCLBXRAYYDLXRG-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246611481 804445025 /nfs/dbraw/zinc/44/50/25/804445025.db2.gz QCLBXRAYYDLXRG-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)C2)cc1 ZINC001246612262 804447614 /nfs/dbraw/zinc/44/76/14/804447614.db2.gz GDHQMWSSGGCWCN-KURKYZTESA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@@]4(CCC[NH2+]4)C3)C2)cc1 ZINC001246612262 804447617 /nfs/dbraw/zinc/44/76/17/804447617.db2.gz GDHQMWSSGGCWCN-KURKYZTESA-N 2 1 270.420 3.151 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001246617292 804451587 /nfs/dbraw/zinc/45/15/87/804451587.db2.gz IMLWPCQOJNQNDA-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC001246616734 804452031 /nfs/dbraw/zinc/45/20/31/804452031.db2.gz BEAFNSMRINAWAS-VLOYRQLPSA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246618365 804452074 /nfs/dbraw/zinc/45/20/74/804452074.db2.gz KHFPSWZBOKUIND-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246618365 804452078 /nfs/dbraw/zinc/45/20/78/804452078.db2.gz KHFPSWZBOKUIND-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CC)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246616735 804452553 /nfs/dbraw/zinc/45/25/53/804452553.db2.gz BFJZZQKRELLQSN-DLBZAZTESA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246621208 804454016 /nfs/dbraw/zinc/45/40/16/804454016.db2.gz FGZPCXFJWIQEQR-CQSZACIVSA-N 2 1 292.854 3.489 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246623349 804455460 /nfs/dbraw/zinc/45/54/60/804455460.db2.gz PVMMUYGHQYDIKK-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246623349 804455464 /nfs/dbraw/zinc/45/54/64/804455464.db2.gz PVMMUYGHQYDIKK-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246621802 804455818 /nfs/dbraw/zinc/45/58/18/804455818.db2.gz QAISVIRDMSQMET-IRXDYDNUSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@@H]1CC([NH+]2CCC3(CCC[NH2+]3)CC2)C[C@@H](C)C1 ZINC001246625303 804457334 /nfs/dbraw/zinc/45/73/34/804457334.db2.gz PTEWBOUDHAPEFW-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+]2CCC23CCCC3)CC[NH2+]1 ZINC001246628786 804458152 /nfs/dbraw/zinc/45/81/52/804458152.db2.gz ZRTBHOOEWFWVLB-LSDHHAIUSA-N 2 1 250.430 3.316 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC(C)(C)C1 ZINC001246627960 804458485 /nfs/dbraw/zinc/45/84/85/804458485.db2.gz LGVMYMPWVIDDBV-JONQDZQNSA-N 2 1 264.457 3.133 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629581 804460629 /nfs/dbraw/zinc/46/06/29/804460629.db2.gz DXJUGLKERGKESP-OKZBNKHCSA-N 2 1 272.436 3.224 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629581 804460633 /nfs/dbraw/zinc/46/06/33/804460633.db2.gz DXJUGLKERGKESP-OKZBNKHCSA-N 2 1 272.436 3.224 20 0 CGADMP c1ccc(C2CCC([N@H+]3CCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246630396 804461283 /nfs/dbraw/zinc/46/12/83/804461283.db2.gz JWOHPRVURKXMID-UHFFFAOYSA-N 2 1 270.420 3.008 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246632942 804463986 /nfs/dbraw/zinc/46/39/86/804463986.db2.gz IUIMAZOSLREXCK-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246637240 804466190 /nfs/dbraw/zinc/46/61/90/804466190.db2.gz MRDIPYFZQKGYFC-IRXDYDNUSA-N 2 1 282.472 3.047 20 0 CGADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246641691 804469218 /nfs/dbraw/zinc/46/92/18/804469218.db2.gz KIDIIWRLGBDZCX-FICVDOATSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001246643195 804470620 /nfs/dbraw/zinc/47/06/20/804470620.db2.gz RKLHDWFLRLSTCK-INIZCTEOSA-N 2 1 272.436 3.144 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246642975 804470750 /nfs/dbraw/zinc/47/07/50/804470750.db2.gz GBCOPNTUEGQIAI-BBRMVZONSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246645278 804472080 /nfs/dbraw/zinc/47/20/80/804472080.db2.gz UTIUPJPHHFAMTQ-GOEBONIOSA-N 2 1 250.430 3.173 20 0 CGADMP C1[NH2+]C[C@H]2C[N@@H+](C3CCC4(CCCCC4)CC3)CC[C@H]12 ZINC001246646745 804473522 /nfs/dbraw/zinc/47/35/22/804473522.db2.gz HSLBBRZWZQAQGV-CVEARBPZSA-N 2 1 276.468 3.421 20 0 CGADMP C1[NH2+]C[C@H]2C[N@H+](C3CCC4(CCCCC4)CC3)CC[C@H]12 ZINC001246646745 804473526 /nfs/dbraw/zinc/47/35/26/804473526.db2.gz HSLBBRZWZQAQGV-CVEARBPZSA-N 2 1 276.468 3.421 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1CCC[C@]13CC[NH2+]C3)CC2 ZINC001246647116 804473577 /nfs/dbraw/zinc/47/35/77/804473577.db2.gz HOVQQDXNBQRBPC-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246646710 804473588 /nfs/dbraw/zinc/47/35/88/804473588.db2.gz HLIVHHXLXSFGHU-BZSNNMDCSA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246646710 804473590 /nfs/dbraw/zinc/47/35/90/804473590.db2.gz HLIVHHXLXSFGHU-BZSNNMDCSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246647100 804474349 /nfs/dbraw/zinc/47/43/49/804474349.db2.gz HDBNCWOFFACGPM-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246658893 804483840 /nfs/dbraw/zinc/48/38/40/804483840.db2.gz QAHLJOBLIOOXSQ-RCCFBDPRSA-N 2 1 272.436 3.211 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001246661636 804484856 /nfs/dbraw/zinc/48/48/56/804484856.db2.gz HAUWDIVKEZDTRU-MNAZLIDISA-N 2 1 264.457 3.419 20 0 CGADMP C1[NH2+]CC1[C@@H]1CC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246671397 804489759 /nfs/dbraw/zinc/48/97/59/804489759.db2.gz BKVAKXSITPSVAC-OAHLLOKOSA-N 2 1 276.468 3.421 20 0 CGADMP c1cc2c(s1)CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246681061 804493905 /nfs/dbraw/zinc/49/39/05/804493905.db2.gz FNNFOZZCEIADIX-UHFFFAOYSA-N 2 1 290.476 3.419 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246680778 804494185 /nfs/dbraw/zinc/49/41/85/804494185.db2.gz LFNOGNJVSJIVHA-BFYDXBDKSA-N 2 1 258.409 3.272 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246684930 804495356 /nfs/dbraw/zinc/49/53/56/804495356.db2.gz BPJIAIPVNJCZFS-GOSISDBHSA-N 2 1 274.452 3.328 20 0 CGADMP CCC(CC)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246684175 804495994 /nfs/dbraw/zinc/49/59/94/804495994.db2.gz VPMXGFHUXAKQCH-QZTJIDSGSA-N 2 1 272.436 3.254 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246690681 804496947 /nfs/dbraw/zinc/49/69/47/804496947.db2.gz LAMLVAJBUILSBS-DLBZAZTESA-N 2 1 290.451 3.438 20 0 CGADMP CC[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246690015 804497443 /nfs/dbraw/zinc/49/74/43/804497443.db2.gz RWTRJSQKWJVOME-USXIJHARSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246699173 804499316 /nfs/dbraw/zinc/49/93/16/804499316.db2.gz ZJXYWSPROOMCSX-KURKYZTESA-N 2 1 290.426 3.031 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246769454 804502527 /nfs/dbraw/zinc/50/25/27/804502527.db2.gz KGRHKRSOSCGKFR-NVXWUHKLSA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246769454 804502532 /nfs/dbraw/zinc/50/25/32/804502532.db2.gz KGRHKRSOSCGKFR-NVXWUHKLSA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246769456 804503415 /nfs/dbraw/zinc/50/34/15/804503415.db2.gz KGRHKRSOSCGKFR-RDJZCZTQSA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246769456 804503418 /nfs/dbraw/zinc/50/34/18/804503418.db2.gz KGRHKRSOSCGKFR-RDJZCZTQSA-N 2 1 260.425 3.429 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246774481 804503844 /nfs/dbraw/zinc/50/38/44/804503844.db2.gz GERVQQHWHAZRJZ-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246778445 804506108 /nfs/dbraw/zinc/50/61/08/804506108.db2.gz WHKHFWKNKQHADQ-INDMIFKZSA-N 2 1 284.447 3.224 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2cccs2)CC[NH2+]1 ZINC001246780315 804508604 /nfs/dbraw/zinc/50/86/04/804508604.db2.gz BXXSUUUZYWKVRW-KBPBESRZSA-N 2 1 266.454 3.491 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2cccs2)CC[NH2+]1 ZINC001246780315 804508605 /nfs/dbraw/zinc/50/86/05/804508605.db2.gz BXXSUUUZYWKVRW-KBPBESRZSA-N 2 1 266.454 3.491 20 0 CGADMP COCC[C@@H]1CCCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246789255 804513239 /nfs/dbraw/zinc/51/32/39/804513239.db2.gz WTOFPERTCVNDBD-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246790338 804514178 /nfs/dbraw/zinc/51/41/78/804514178.db2.gz NOSVVZHEPQNIGX-DGXTUMSLSA-N 2 1 252.446 3.416 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246791498 804515532 /nfs/dbraw/zinc/51/55/32/804515532.db2.gz JWWQRMSYILSYDN-YRXWBPOGSA-N 2 1 284.447 3.224 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246794117 804518175 /nfs/dbraw/zinc/51/81/75/804518175.db2.gz ZAVKTAWEFYJFNM-GDBMZVCRSA-N 2 1 288.435 3.363 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246797371 804518946 /nfs/dbraw/zinc/51/89/46/804518946.db2.gz OJECKDKDDJNZKA-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cnc3cc[nH]cc2-3)C[C@H]1C ZINC001140801042 804521040 /nfs/dbraw/zinc/52/10/40/804521040.db2.gz AICPUQAQPWHDLW-CHWSQXEVSA-N 2 1 257.381 3.431 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc3cc[nH]cc2-3)C[C@H]1C ZINC001140801042 804521043 /nfs/dbraw/zinc/52/10/43/804521043.db2.gz AICPUQAQPWHDLW-CHWSQXEVSA-N 2 1 257.381 3.431 20 0 CGADMP CC1([NH+]2CCCC2)CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806112 804524071 /nfs/dbraw/zinc/52/40/71/804524071.db2.gz VUFCRDSIKCGYRA-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246810582 804526368 /nfs/dbraw/zinc/52/63/68/804526368.db2.gz OODGMVPRGXOTAE-NJINODPHSA-N 2 1 264.457 3.419 20 0 CGADMP COC(C)(C)[C@H]1CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246810082 804527097 /nfs/dbraw/zinc/52/70/97/804527097.db2.gz MGLMLJBVYYRUJY-MRXNPFEDSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246825393 804536923 /nfs/dbraw/zinc/53/69/23/804536923.db2.gz VDEHTICFAVSAMY-KRWDZBQOSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246827713 804538461 /nfs/dbraw/zinc/53/84/61/804538461.db2.gz OFKGLTFEEDUSGV-KBXCAEBGSA-N 2 1 290.426 3.221 20 0 CGADMP COCCC[N@@H+](C1CC[NH2+]CC1)C1CCC(C(C)C)CC1 ZINC001246837830 804546710 /nfs/dbraw/zinc/54/67/10/804546710.db2.gz VQWGNJBCLSIJHU-UHFFFAOYSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)C1CCC([NH2+]C)CC1 ZINC001246842189 804550080 /nfs/dbraw/zinc/55/00/80/804550080.db2.gz WZVWEYWQQVWYBA-UHFFFAOYSA-N 2 1 264.388 3.178 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246842416 804550151 /nfs/dbraw/zinc/55/01/51/804550151.db2.gz RHEVEIMHPJWPGP-OALUTQOASA-N 2 1 286.463 3.472 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246843451 804551756 /nfs/dbraw/zinc/55/17/56/804551756.db2.gz GGOZVSDPYRRGHB-GBESFXJTSA-N 2 1 286.463 3.329 20 0 CGADMP C[N@@H+](CC1CCCCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246843978 804551855 /nfs/dbraw/zinc/55/18/55/804551855.db2.gz FDOVEIDRPWVGFZ-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843733 804552017 /nfs/dbraw/zinc/55/20/17/804552017.db2.gz VZPUDSFICBSTKD-MHORFTMASA-N 2 1 272.436 3.067 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246844335 804552702 /nfs/dbraw/zinc/55/27/02/804552702.db2.gz IWUPNBIXRUGCKN-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246846618 804556048 /nfs/dbraw/zinc/55/60/48/804556048.db2.gz PMATYOKQJLOKDC-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246848608 804557346 /nfs/dbraw/zinc/55/73/46/804557346.db2.gz XAWCPOZWUNBZFI-ZACQAIPSSA-N 2 1 294.483 3.392 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccccc2)CC[NH2+]1 ZINC001246849199 804560669 /nfs/dbraw/zinc/56/06/69/804560669.db2.gz ZPHDVNDCWMCHCX-CEKAGXKUSA-N 2 1 272.436 3.408 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+]2CCCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246852678 804561563 /nfs/dbraw/zinc/56/15/63/804561563.db2.gz JOIASBLBURAAKX-JCCCHCCOSA-N 2 1 282.447 3.367 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246852678 804561569 /nfs/dbraw/zinc/56/15/69/804561569.db2.gz JOIASBLBURAAKX-JCCCHCCOSA-N 2 1 282.447 3.367 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246852846 804562577 /nfs/dbraw/zinc/56/25/77/804562577.db2.gz KWMVEKDEEZOPPS-UGFHNGPFSA-N 2 1 298.352 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246852846 804562579 /nfs/dbraw/zinc/56/25/79/804562579.db2.gz KWMVEKDEEZOPPS-UGFHNGPFSA-N 2 1 298.352 3.060 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246853604 804563070 /nfs/dbraw/zinc/56/30/70/804563070.db2.gz NCQKATSOIAGJIB-OWSLCNJRSA-N 2 1 270.420 3.136 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861313 804565386 /nfs/dbraw/zinc/56/53/86/804565386.db2.gz AVQCRVNMAGUEID-IXEWLPCDSA-N 2 1 270.420 3.279 20 0 CGADMP c1ccc(C2=CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246862214 804566237 /nfs/dbraw/zinc/56/62/37/804566237.db2.gz VTHXXHFGLNUTJQ-REPLKXPHSA-N 2 1 282.431 3.449 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CSc2ccc(Cl)cc2)C1 ZINC001246863144 804567653 /nfs/dbraw/zinc/56/76/53/804567653.db2.gz KAIVCBPYOJEPFJ-QWHCGFSZSA-N 2 1 298.883 3.362 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCc3c(F)cccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246865272 804569734 /nfs/dbraw/zinc/56/97/34/804569734.db2.gz XSPCHAAJVAAQLY-HUUCEWRRSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCc3c(F)cccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246865272 804569739 /nfs/dbraw/zinc/56/97/39/804569739.db2.gz XSPCHAAJVAAQLY-HUUCEWRRSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246869894 804572290 /nfs/dbraw/zinc/57/22/90/804572290.db2.gz XHBUVVHJWNJUBC-KMFMINBZSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)CC[NH2+]1 ZINC001246871959 804572838 /nfs/dbraw/zinc/57/28/38/804572838.db2.gz SBKQNQSRBUHDJQ-ZENOOKHLSA-N 2 1 292.854 3.442 20 0 CGADMP CC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001246871179 804573493 /nfs/dbraw/zinc/57/34/93/804573493.db2.gz CWQXBBCNKKVJAP-IOXAMRCBSA-N 2 1 284.447 3.038 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246874207 804575261 /nfs/dbraw/zinc/57/52/61/804575261.db2.gz WCIDIAYMDSWBQJ-WBVHZDCISA-N 2 1 294.389 3.319 20 0 CGADMP Cc1ccncc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001141036319 804575823 /nfs/dbraw/zinc/57/58/23/804575823.db2.gz URYIAEYUDNONHS-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246887208 804581454 /nfs/dbraw/zinc/58/14/54/804581454.db2.gz KEHYYVMXNPYYIC-QLFBSQMISA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141104100 804589703 /nfs/dbraw/zinc/58/97/03/804589703.db2.gz ZKOUYEOMLOAQEY-SJORKVTESA-N 2 1 286.463 3.368 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141104100 804589708 /nfs/dbraw/zinc/58/97/08/804589708.db2.gz ZKOUYEOMLOAQEY-SJORKVTESA-N 2 1 286.463 3.368 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001246912089 804595678 /nfs/dbraw/zinc/59/56/78/804595678.db2.gz QJTWEZKKVIKKSA-OAHLLOKOSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246912628 804596757 /nfs/dbraw/zinc/59/67/57/804596757.db2.gz ZNEKKKRLSDKQJN-VXGBXAGGSA-N 2 1 296.867 3.180 20 0 CGADMP Clc1ccc(C2CCC([N@@H+]3C[C@@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246919855 804600820 /nfs/dbraw/zinc/60/08/20/804600820.db2.gz NYYDVVZHQCDJMZ-UMAGBFNSSA-N 2 1 290.838 3.270 20 0 CGADMP Clc1ccc(C2CCC([N@H+]3C[C@@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246919855 804600822 /nfs/dbraw/zinc/60/08/22/804600822.db2.gz NYYDVVZHQCDJMZ-UMAGBFNSSA-N 2 1 290.838 3.270 20 0 CGADMP CCCC1CCC([N@H+](CCOC)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246927159 804604011 /nfs/dbraw/zinc/60/40/11/804604011.db2.gz GPANDDKITYNVQZ-OFLPRAFFSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC1CCC([N@@H+](CCOC)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246927159 804604013 /nfs/dbraw/zinc/60/40/13/804604013.db2.gz GPANDDKITYNVQZ-OFLPRAFFSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927837 804605927 /nfs/dbraw/zinc/60/59/27/804605927.db2.gz IKMHTNJDSZZHLB-ULQDDVLXSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927837 804605929 /nfs/dbraw/zinc/60/59/29/804605929.db2.gz IKMHTNJDSZZHLB-ULQDDVLXSA-N 2 1 284.488 3.292 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246934236 804607532 /nfs/dbraw/zinc/60/75/32/804607532.db2.gz AOTDKNBJKRKBKC-BPQIPLTHSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246937354 804608867 /nfs/dbraw/zinc/60/88/67/804608867.db2.gz LJOLNIHVSPUSIT-GDBMZVCRSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](Cc1ccco1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938534 804610013 /nfs/dbraw/zinc/61/00/13/804610013.db2.gz QCWKPRLRURCSPC-HOTGVXAUSA-N 2 1 290.451 3.455 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001246941423 804610323 /nfs/dbraw/zinc/61/03/23/804610323.db2.gz JVSAOFXCLZVMFG-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1cccc(C)c1C)C1CC1 ZINC001246968505 804621424 /nfs/dbraw/zinc/62/14/24/804621424.db2.gz QHDHSLMUGONCEC-CQSZACIVSA-N 2 1 260.425 3.266 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246972909 804622112 /nfs/dbraw/zinc/62/21/12/804622112.db2.gz GISRSFQCOYDZEW-CAOSSQGBSA-N 2 1 252.446 3.405 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC001246971715 804622727 /nfs/dbraw/zinc/62/27/27/804622727.db2.gz BPCTVCMGAMOSDN-NXNVCVFFSA-N 2 1 290.476 3.145 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001246971713 804622777 /nfs/dbraw/zinc/62/27/77/804622777.db2.gz BPCTVCMGAMOSDN-DIECFANBSA-N 2 1 290.476 3.145 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](CC)Cc1ccccc1 ZINC001246971359 804623044 /nfs/dbraw/zinc/62/30/44/804623044.db2.gz AQZHORGBEVGRGZ-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246973401 804623647 /nfs/dbraw/zinc/62/36/47/804623647.db2.gz HOUFLKZFWQCJSS-MANSERQUSA-N 2 1 286.463 3.457 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CCC3(C1)CCCCC3)CC2 ZINC001246998842 804634158 /nfs/dbraw/zinc/63/41/58/804634158.db2.gz PBXRXHZCAPUZSS-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247001807 804635985 /nfs/dbraw/zinc/63/59/85/804635985.db2.gz LJDYQDOLVZHDKX-XJKSGUPXSA-N 2 1 296.455 3.367 20 0 CGADMP C[C@H](CC1CC1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247004555 804636318 /nfs/dbraw/zinc/63/63/18/804636318.db2.gz MNYMAJPZLSWUPX-OAHLLOKOSA-N 2 1 284.447 3.312 20 0 CGADMP CCCCCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247012198 804640162 /nfs/dbraw/zinc/64/01/62/804640162.db2.gz CUONBFTXPLYHDU-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247012198 804640166 /nfs/dbraw/zinc/64/01/66/804640166.db2.gz CUONBFTXPLYHDU-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247016384 804644647 /nfs/dbraw/zinc/64/46/47/804644647.db2.gz UPCFOHQFQYXCQD-IEBWSBKVSA-N 2 1 284.447 3.008 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257078920 807044578 /nfs/dbraw/zinc/04/45/78/807044578.db2.gz AZUCZRQWCZGUNO-LSZYHPAVSA-N 2 1 280.456 3.067 20 0 CGADMP C[C@@H]1CC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001257093273 807050137 /nfs/dbraw/zinc/05/01/37/807050137.db2.gz JFWFEMZKEMYWMK-BRWVUGGUSA-N 2 1 294.483 3.283 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256861426 806994200 /nfs/dbraw/zinc/99/42/00/806994200.db2.gz NVTZWTCHEZDMPE-UHFFFAOYSA-N 2 1 297.377 3.205 20 0 CGADMP Cc1cccc2cc[nH+]c(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c12 ZINC001165436687 807003284 /nfs/dbraw/zinc/00/32/84/807003284.db2.gz UGWXRANXRRLQBM-GJZGRUSLSA-N 2 1 299.393 3.056 20 0 CGADMP CC(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC001257209991 807061056 /nfs/dbraw/zinc/06/10/56/807061056.db2.gz DWWFKPDLJDWAIX-AWEZNQCLSA-N 2 1 288.435 3.413 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001257214505 807062307 /nfs/dbraw/zinc/06/23/07/807062307.db2.gz GCWAUXYAOLZSTB-HNNXBMFYSA-N 2 1 256.409 3.073 20 0 CGADMP CCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001257249998 807069809 /nfs/dbraw/zinc/06/98/09/807069809.db2.gz GZDGQFDWGPPHRL-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001257249998 807069818 /nfs/dbraw/zinc/06/98/18/807069818.db2.gz GZDGQFDWGPPHRL-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257314298 807101891 /nfs/dbraw/zinc/10/18/91/807101891.db2.gz UPQUBPUKEPOGDA-DJIMGWMZSA-N 2 1 275.440 3.342 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C4CCCC4)C[C@H]3C2)cc1 ZINC001257350012 807117060 /nfs/dbraw/zinc/11/70/60/807117060.db2.gz IKFGKZQTBHDMRW-QZTJIDSGSA-N 2 1 284.447 3.301 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCCCC2)CC1 ZINC001257453573 807164405 /nfs/dbraw/zinc/16/44/05/807164405.db2.gz QTXFDYWZBRMSNS-SAABIXHNSA-N 2 1 287.451 3.486 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCNc1cc2[nH+]c[nH]c2cc1F ZINC001167753092 807242686 /nfs/dbraw/zinc/24/26/86/807242686.db2.gz CGMNOPUAAAXQSV-LBPRGKRZSA-N 2 1 290.386 3.378 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1cc2[nH+]c[nH]c2cc1F ZINC001167753092 807242690 /nfs/dbraw/zinc/24/26/90/807242690.db2.gz CGMNOPUAAAXQSV-LBPRGKRZSA-N 2 1 290.386 3.378 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001167824161 807255795 /nfs/dbraw/zinc/25/57/95/807255795.db2.gz CAVOCFQGIMXZHE-FUHWJXTLSA-N 2 1 289.467 3.381 20 0 CGADMP Cc1cc(F)cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC001258003408 807262531 /nfs/dbraw/zinc/26/25/31/807262531.db2.gz JVTOUNNITMWYHU-UHFFFAOYSA-N 2 1 278.415 3.344 20 0 CGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911586 807272621 /nfs/dbraw/zinc/27/26/21/807272621.db2.gz BYCKZKFYXSJUBX-YVSFHVDLSA-N 2 1 262.441 3.029 20 0 CGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911586 807272629 /nfs/dbraw/zinc/27/26/29/807272629.db2.gz BYCKZKFYXSJUBX-YVSFHVDLSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1csc2ccc(NC(=[NH2+])SCC[NH3+])cc12 ZINC001167914144 807273075 /nfs/dbraw/zinc/27/30/75/807273075.db2.gz IBCAJDBSLDIGKS-UHFFFAOYSA-N 2 1 265.407 3.248 20 0 CGADMP CC1([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001167919301 807275672 /nfs/dbraw/zinc/27/56/72/807275672.db2.gz XUPJWAOLVQITKB-PIIMJCKOSA-N 2 1 284.447 3.429 20 0 CGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167940994 807277893 /nfs/dbraw/zinc/27/78/93/807277893.db2.gz TYFHCYOQONCYEU-VVLHAWIVSA-N 2 1 262.441 3.125 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC1)C2 ZINC001167953968 807283264 /nfs/dbraw/zinc/28/32/64/807283264.db2.gz YHVMNEICTINFRT-RUYXUALKSA-N 2 1 296.458 3.308 20 0 CGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC1)C2 ZINC001167953968 807283271 /nfs/dbraw/zinc/28/32/71/807283271.db2.gz YHVMNEICTINFRT-RUYXUALKSA-N 2 1 296.458 3.308 20 0 CGADMP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167975551 807291384 /nfs/dbraw/zinc/29/13/84/807291384.db2.gz RYTSRKAWVGJBMD-MQVJKMGUSA-N 2 1 262.441 3.314 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258074740 807293210 /nfs/dbraw/zinc/29/32/10/807293210.db2.gz NAEDFDWUKWFTEU-MWDXBVQZSA-N 2 1 266.473 3.331 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258076534 807294950 /nfs/dbraw/zinc/29/49/50/807294950.db2.gz FUHYOMQCORCOMX-VQHPVUNQSA-N 2 1 266.473 3.331 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258076534 807294957 /nfs/dbraw/zinc/29/49/57/807294957.db2.gz FUHYOMQCORCOMX-VQHPVUNQSA-N 2 1 266.473 3.331 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258076534 807294963 /nfs/dbraw/zinc/29/49/63/807294963.db2.gz FUHYOMQCORCOMX-VQHPVUNQSA-N 2 1 266.473 3.331 20 0 CGADMP Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001168003237 807297867 /nfs/dbraw/zinc/29/78/67/807297867.db2.gz LIRIHFSXDBHRHO-DFNIBXOVSA-N 2 1 299.462 3.227 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cn1 ZINC001168003237 807297872 /nfs/dbraw/zinc/29/78/72/807297872.db2.gz LIRIHFSXDBHRHO-DFNIBXOVSA-N 2 1 299.462 3.227 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cn1 ZINC001168003237 807297876 /nfs/dbraw/zinc/29/78/76/807297876.db2.gz LIRIHFSXDBHRHO-DFNIBXOVSA-N 2 1 299.462 3.227 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001168003237 807297880 /nfs/dbraw/zinc/29/78/80/807297880.db2.gz LIRIHFSXDBHRHO-DFNIBXOVSA-N 2 1 299.462 3.227 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001168003237 807297882 /nfs/dbraw/zinc/29/78/82/807297882.db2.gz LIRIHFSXDBHRHO-DFNIBXOVSA-N 2 1 299.462 3.227 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258092572 807301343 /nfs/dbraw/zinc/30/13/43/807301343.db2.gz JGWPLQBQGTYEPU-HNNXBMFYSA-N 2 1 293.455 3.251 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001168142425 807321877 /nfs/dbraw/zinc/32/18/77/807321877.db2.gz CRAPJCDNYRVAGM-YJBOKZPZSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258176387 807342614 /nfs/dbraw/zinc/34/26/14/807342614.db2.gz SSTIRDKBZGVHQQ-YJBOKZPZSA-N 2 1 286.419 3.493 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccco1 ZINC001258181260 807344434 /nfs/dbraw/zinc/34/44/34/807344434.db2.gz LPYABRAMCHCGCN-HZPDHXFCSA-N 2 1 286.419 3.308 20 0 CGADMP CSCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001258207287 807363687 /nfs/dbraw/zinc/36/36/87/807363687.db2.gz CNDNMZVLMZMHOQ-HUUCEWRRSA-N 2 1 280.481 3.225 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CCc2cccc(F)c2)CC1 ZINC001168328466 807386153 /nfs/dbraw/zinc/38/61/53/807386153.db2.gz HQFUFWUFKASQDO-UHFFFAOYSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H](N)C1 ZINC001258295675 807401705 /nfs/dbraw/zinc/40/17/05/807401705.db2.gz PVROYELJEWXFLS-OLZOCXBDSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H](N)C1 ZINC001258295675 807401707 /nfs/dbraw/zinc/40/17/07/807401707.db2.gz PVROYELJEWXFLS-OLZOCXBDSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001258295675 807401710 /nfs/dbraw/zinc/40/17/10/807401710.db2.gz PVROYELJEWXFLS-OLZOCXBDSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001258295675 807401711 /nfs/dbraw/zinc/40/17/11/807401711.db2.gz PVROYELJEWXFLS-OLZOCXBDSA-N 2 1 282.453 3.103 20 0 CGADMP Cc1cc(N2C[C@H](CC[NH3+])c3ccccc32)c2[nH+]ccn2c1 ZINC001168551175 807444527 /nfs/dbraw/zinc/44/45/27/807444527.db2.gz ZWBJDRXEIVSSCJ-AWEZNQCLSA-N 2 1 292.386 3.227 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(OCC2CC2)cc[nH+]1 ZINC001168597150 807453233 /nfs/dbraw/zinc/45/32/33/807453233.db2.gz WHHRNKGYLGEURU-HOTGVXAUSA-N 2 1 289.423 3.155 20 0 CGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)CC2CC2)CC1 ZINC001258454066 807460766 /nfs/dbraw/zinc/46/07/66/807460766.db2.gz ZEVHPKYTNCIAJL-AWEZNQCLSA-N 2 1 288.435 3.134 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168685991 807478761 /nfs/dbraw/zinc/47/87/61/807478761.db2.gz VAPMZDDEGBLQBE-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1)CC(C)C ZINC001169049004 807558785 /nfs/dbraw/zinc/55/87/85/807558785.db2.gz DUJVDLBGVZFZHI-SFHVURJKSA-N 2 1 285.435 3.439 20 0 CGADMP Cc1ccc(C)c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169078734 807567637 /nfs/dbraw/zinc/56/76/37/807567637.db2.gz FPYQXDMFTXHLBS-NNZMDNLPSA-N 2 1 272.436 3.061 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C2 ZINC001169080355 807568765 /nfs/dbraw/zinc/56/87/65/807568765.db2.gz MUIZRASNTNFPHW-QDMKHBRRSA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C2 ZINC001169080355 807568769 /nfs/dbraw/zinc/56/87/69/807568769.db2.gz MUIZRASNTNFPHW-QDMKHBRRSA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cccc(Cl)c1)C2 ZINC001169092246 807571370 /nfs/dbraw/zinc/57/13/70/807571370.db2.gz ASIPPGVTIZBRPW-MUJYYYPQSA-N 2 1 278.827 3.097 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001169089350 807572285 /nfs/dbraw/zinc/57/22/85/807572285.db2.gz BZWHVILWJGOOSG-BJWYYQGGSA-N 2 1 272.436 3.327 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1ccc(Cl)cc1)C2 ZINC001169095308 807574166 /nfs/dbraw/zinc/57/41/66/807574166.db2.gz PAXKVQSWEGYUAX-OSYLJGHBSA-N 2 1 292.854 3.487 20 0 CGADMP COc1ccc(C(C)(C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099928 807576886 /nfs/dbraw/zinc/57/68/86/807576886.db2.gz WXAFVWJHUXUNMO-MUJYYYPQSA-N 2 1 288.435 3.145 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169108671 807579335 /nfs/dbraw/zinc/57/93/35/807579335.db2.gz UXSVYCHMRZAAFU-MPTYRVRUSA-N 2 1 286.419 3.033 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169108671 807579340 /nfs/dbraw/zinc/57/93/40/807579340.db2.gz UXSVYCHMRZAAFU-MPTYRVRUSA-N 2 1 286.419 3.033 20 0 CGADMP CCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169114067 807580441 /nfs/dbraw/zinc/58/04/41/807580441.db2.gz WBOYJLOFCXIZEY-YYIAUSFCSA-N 2 1 273.424 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C[NH3+])cc3cccc(F)c31)C2 ZINC001169122605 807583218 /nfs/dbraw/zinc/58/32/18/807583218.db2.gz BIKFUFHDNUCBMP-WDNDVIMCSA-N 2 1 287.382 3.037 20 0 CGADMP C[C@@H]([NH3+])c1cn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169123682 807584601 /nfs/dbraw/zinc/58/46/01/807584601.db2.gz MBGFVXVXSVAYJT-KBXIAJHMSA-N 2 1 283.419 3.459 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123819 807584864 /nfs/dbraw/zinc/58/48/64/807584864.db2.gz NANUHHQWXVLNEE-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123819 807584867 /nfs/dbraw/zinc/58/48/67/807584867.db2.gz NANUHHQWXVLNEE-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123819 807584870 /nfs/dbraw/zinc/58/48/70/807584870.db2.gz NANUHHQWXVLNEE-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169143502 807589766 /nfs/dbraw/zinc/58/97/66/807589766.db2.gz FSDDFIQGBYWPQV-BCDXTJNWSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169143502 807589771 /nfs/dbraw/zinc/58/97/71/807589771.db2.gz FSDDFIQGBYWPQV-BCDXTJNWSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169143502 807589774 /nfs/dbraw/zinc/58/97/74/807589774.db2.gz FSDDFIQGBYWPQV-BCDXTJNWSA-N 2 1 272.436 3.306 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152327 807594251 /nfs/dbraw/zinc/59/42/51/807594251.db2.gz CDXCLYQCWABGED-BGJQTGABSA-N 2 1 285.435 3.042 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152327 807594254 /nfs/dbraw/zinc/59/42/54/807594254.db2.gz CDXCLYQCWABGED-BGJQTGABSA-N 2 1 285.435 3.042 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152327 807594259 /nfs/dbraw/zinc/59/42/59/807594259.db2.gz CDXCLYQCWABGED-BGJQTGABSA-N 2 1 285.435 3.042 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155483 807596147 /nfs/dbraw/zinc/59/61/47/807596147.db2.gz PMRGMVJLYYPIIR-FVQHAEBGSA-N 2 1 284.447 3.405 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155483 807596154 /nfs/dbraw/zinc/59/61/54/807596154.db2.gz PMRGMVJLYYPIIR-FVQHAEBGSA-N 2 1 284.447 3.405 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155483 807596156 /nfs/dbraw/zinc/59/61/56/807596156.db2.gz PMRGMVJLYYPIIR-FVQHAEBGSA-N 2 1 284.447 3.405 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258763667 807600327 /nfs/dbraw/zinc/60/03/27/807600327.db2.gz VTPYQZKIRCNUNV-FGTMMUONSA-N 2 1 295.515 3.056 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2ccccc2C)CC1 ZINC001169238451 807612143 /nfs/dbraw/zinc/61/21/43/807612143.db2.gz IILFLZXVSUNPCD-UHFFFAOYSA-N 2 1 274.452 3.390 20 0 CGADMP CC[N@H+](CCc1ccc(OC)cc1)C1CC[NH+](CC)CC1 ZINC001169261509 807618462 /nfs/dbraw/zinc/61/84/62/807618462.db2.gz IJGNDEJSPBAUIN-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)C1CC[NH+](CC)CC1 ZINC001169261509 807618466 /nfs/dbraw/zinc/61/84/66/807618466.db2.gz IJGNDEJSPBAUIN-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001169268887 807620826 /nfs/dbraw/zinc/62/08/26/807620826.db2.gz QHJRIROPPUOBAM-QGZVFWFLSA-N 2 1 258.409 3.090 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001169268887 807620829 /nfs/dbraw/zinc/62/08/29/807620829.db2.gz QHJRIROPPUOBAM-QGZVFWFLSA-N 2 1 258.409 3.090 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258852031 807659513 /nfs/dbraw/zinc/65/95/13/807659513.db2.gz WGERLXOACJOGRQ-SFHVURJKSA-N 2 1 286.463 3.425 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccccc1OC ZINC001258895048 807667638 /nfs/dbraw/zinc/66/76/38/807667638.db2.gz KOLCOGXXDZOETE-MRXNPFEDSA-N 2 1 292.467 3.290 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001258899759 807668853 /nfs/dbraw/zinc/66/88/53/807668853.db2.gz QIDPYKYWFZTABG-ZWKOTPCHSA-N 3 1 297.531 3.351 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC001258897936 807669072 /nfs/dbraw/zinc/66/90/72/807669072.db2.gz DEWIDRIQNCXYOD-SFHVURJKSA-N 2 1 297.531 3.209 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001258905317 807671174 /nfs/dbraw/zinc/67/11/74/807671174.db2.gz XGPGYKPILIQAKE-IAGOWNOFSA-N 3 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001258905317 807671176 /nfs/dbraw/zinc/67/11/76/807671176.db2.gz XGPGYKPILIQAKE-IAGOWNOFSA-N 3 1 295.515 3.103 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261483146 807749201 /nfs/dbraw/zinc/74/92/01/807749201.db2.gz KDJAKAJTAOMZKA-XBXARRHUSA-N 2 1 270.420 3.165 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 ZINC001170137327 807772889 /nfs/dbraw/zinc/77/28/89/807772889.db2.gz OALKEVLCFBMZBC-HIFRSBDPSA-N 2 1 273.424 3.117 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C)o1 ZINC001261787490 807787944 /nfs/dbraw/zinc/78/79/44/807787944.db2.gz QLPMWPDFVUVITB-JSGCOSHPSA-N 2 1 264.413 3.420 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)o1 ZINC001261787490 807787949 /nfs/dbraw/zinc/78/79/49/807787949.db2.gz QLPMWPDFVUVITB-JSGCOSHPSA-N 2 1 264.413 3.420 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCOCC2CC2)C1)C1CCCC1 ZINC001261890811 807798700 /nfs/dbraw/zinc/79/87/00/807798700.db2.gz POCKIOKLIPXRJH-SJLPKXTDSA-N 2 1 294.483 3.033 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001170255676 807805784 /nfs/dbraw/zinc/80/57/84/807805784.db2.gz VHEFGDRKEQZZPH-UKRRQHHQSA-N 2 1 280.843 3.345 20 0 CGADMP c1ccc(C[C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001262162263 807830201 /nfs/dbraw/zinc/83/02/01/807830201.db2.gz JLNCEOHWYJLJAN-MVCQKVDPSA-N 2 1 284.447 3.082 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715950 807882741 /nfs/dbraw/zinc/88/27/41/807882741.db2.gz NETQRBAMXYJCQD-QDMKHBRRSA-N 2 1 252.446 3.133 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001170730645 807890518 /nfs/dbraw/zinc/89/05/18/807890518.db2.gz KKJVVIJBHBMBKF-SRABZTEZSA-N 2 1 276.468 3.418 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001170730645 807890526 /nfs/dbraw/zinc/89/05/26/807890526.db2.gz KKJVVIJBHBMBKF-SRABZTEZSA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)[C@H](C)C1 ZINC001170742101 807896966 /nfs/dbraw/zinc/89/69/66/807896966.db2.gz YJPSHTXZZNIGEL-SUJAAXHWSA-N 2 1 264.457 3.129 20 0 CGADMP CCCN(CC[C@@H]1CCC[N@H+]1C)CC[NH+]1CCCCCC1 ZINC001170746236 807897143 /nfs/dbraw/zinc/89/71/43/807897143.db2.gz YPSPBNKVKPYDDU-SFHVURJKSA-N 2 1 295.515 3.059 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171093165 807981839 /nfs/dbraw/zinc/98/18/39/807981839.db2.gz DLFZSTDXBSNXOM-GUYCJALGSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171097316 807982843 /nfs/dbraw/zinc/98/28/43/807982843.db2.gz XXTSQACVSMLBHN-IRXDYDNUSA-N 2 1 292.854 3.271 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171116263 807989002 /nfs/dbraw/zinc/98/90/02/807989002.db2.gz MEZWDJGMZYFYDR-OAUYIBNBSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171116263 807989007 /nfs/dbraw/zinc/98/90/07/807989007.db2.gz MEZWDJGMZYFYDR-OAUYIBNBSA-N 2 1 292.854 3.127 20 0 CGADMP Cc1cccc2c1CC[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001171573452 808102092 /nfs/dbraw/zinc/10/20/92/808102092.db2.gz IENZCNHLARNSPJ-QGZVFWFLSA-N 2 1 295.430 3.389 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171625103 808106375 /nfs/dbraw/zinc/10/63/75/808106375.db2.gz BXLADZNBVFKVCZ-HOCLYGCPSA-N 3 1 295.515 3.100 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](CF)C2)CC1(C)C ZINC001171639780 808111104 /nfs/dbraw/zinc/11/11/04/808111104.db2.gz SUXIUBMILZKYBG-ZDUSSCGKSA-N 2 1 270.436 3.319 20 0 CGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171790230 808140151 /nfs/dbraw/zinc/14/01/51/808140151.db2.gz GXHMQKSPBVZHCQ-GDBMZVCRSA-N 2 1 290.426 3.134 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCc1ccccc1)C2 ZINC001172098840 808170138 /nfs/dbraw/zinc/17/01/38/808170138.db2.gz CIGCOPMGNPXFFC-NNZMDNLPSA-N 2 1 272.436 3.224 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3cc(C[NH3+])ccc31)C2 ZINC001172100987 808172464 /nfs/dbraw/zinc/17/24/64/808172464.db2.gz VQVQXEURLBZEDK-BJWYYQGGSA-N 2 1 283.419 3.288 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(O)c1 ZINC001172102428 808173805 /nfs/dbraw/zinc/17/38/05/808173805.db2.gz MTJGTZPNWAKPLB-QCEMKRCNSA-N 2 1 274.408 3.058 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(O)c1 ZINC001172102428 808173807 /nfs/dbraw/zinc/17/38/07/808173807.db2.gz MTJGTZPNWAKPLB-QCEMKRCNSA-N 2 1 274.408 3.058 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3ccc(C[NH3+])cc31)C2 ZINC001172102257 808175035 /nfs/dbraw/zinc/17/50/35/808175035.db2.gz LLODGYIYIFPKGL-FVQHAEBGSA-N 2 1 283.419 3.288 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172106520 808175901 /nfs/dbraw/zinc/17/59/01/808175901.db2.gz PWYBHZFWSZDURN-NXOAAHMSSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172106520 808175903 /nfs/dbraw/zinc/17/59/03/808175903.db2.gz PWYBHZFWSZDURN-NXOAAHMSSA-N 2 1 273.424 3.138 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C2 ZINC001172107781 808176961 /nfs/dbraw/zinc/17/69/61/808176961.db2.gz CDQWAERMJFXMKC-XQLPTFJDSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C2 ZINC001172107781 808176963 /nfs/dbraw/zinc/17/69/63/808176963.db2.gz CDQWAERMJFXMKC-XQLPTFJDSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3cnccc31)C2 ZINC001172110517 808177813 /nfs/dbraw/zinc/17/78/13/808177813.db2.gz OARBBTGSMLXFCI-CUSZFKRNSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3cnccc31)C2 ZINC001172110517 808177818 /nfs/dbraw/zinc/17/78/18/808177818.db2.gz OARBBTGSMLXFCI-CUSZFKRNSA-N 2 1 285.435 3.064 20 0 CGADMP Cc1ccnc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172109491 808178462 /nfs/dbraw/zinc/17/84/62/808178462.db2.gz DNFUGNCCRJOQRE-BJWYYQGGSA-N 2 1 299.462 3.027 20 0 CGADMP Cc1c(F)ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172109225 808178655 /nfs/dbraw/zinc/17/86/55/808178655.db2.gz IJCYVIWFQPMNBK-QDMKHBRRSA-N 2 1 294.389 3.378 20 0 CGADMP Cc1c(F)ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172109225 808178660 /nfs/dbraw/zinc/17/86/60/808178660.db2.gz IJCYVIWFQPMNBK-QDMKHBRRSA-N 2 1 294.389 3.378 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC1(C)C)C2 ZINC001172112461 808179323 /nfs/dbraw/zinc/17/93/23/808179323.db2.gz XDEMUNHKICQMPV-XQLPTFJDSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC1(C)C)C2 ZINC001172112461 808179325 /nfs/dbraw/zinc/17/93/25/808179325.db2.gz XDEMUNHKICQMPV-XQLPTFJDSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001172116574 808180341 /nfs/dbraw/zinc/18/03/41/808180341.db2.gz BKYZEOFQLCXMIG-ALYAQQCSSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001172116574 808180342 /nfs/dbraw/zinc/18/03/42/808180342.db2.gz BKYZEOFQLCXMIG-ALYAQQCSSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001172116574 808180345 /nfs/dbraw/zinc/18/03/45/808180345.db2.gz BKYZEOFQLCXMIG-ALYAQQCSSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3ccccc3C1)C2 ZINC001172114237 808180631 /nfs/dbraw/zinc/18/06/31/808180631.db2.gz PNYONIGUIDEZGZ-PIIMJCKOSA-N 2 1 270.420 3.060 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3ccccc3C1)C2 ZINC001172114237 808180635 /nfs/dbraw/zinc/18/06/35/808180635.db2.gz PNYONIGUIDEZGZ-PIIMJCKOSA-N 2 1 270.420 3.060 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3ccccc3C1)C2 ZINC001172114237 808180638 /nfs/dbraw/zinc/18/06/38/808180638.db2.gz PNYONIGUIDEZGZ-PIIMJCKOSA-N 2 1 270.420 3.060 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccncc1)C2 ZINC001172120848 808183346 /nfs/dbraw/zinc/18/33/46/808183346.db2.gz GJBRHUBYUUAQSF-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccncc1)C2 ZINC001172120848 808183349 /nfs/dbraw/zinc/18/33/49/808183349.db2.gz GJBRHUBYUUAQSF-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1ccncc1)C2 ZINC001172120848 808183351 /nfs/dbraw/zinc/18/33/51/808183351.db2.gz GJBRHUBYUUAQSF-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1ccncc1)C2 ZINC001172120848 808183354 /nfs/dbraw/zinc/18/33/54/808183354.db2.gz GJBRHUBYUUAQSF-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001172121464 808183362 /nfs/dbraw/zinc/18/33/62/808183362.db2.gz JRMGCGPJHVAAMA-DGADGQDISA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001172121464 808183364 /nfs/dbraw/zinc/18/33/64/808183364.db2.gz JRMGCGPJHVAAMA-DGADGQDISA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC001172121464 808183366 /nfs/dbraw/zinc/18/33/66/808183366.db2.gz JRMGCGPJHVAAMA-DGADGQDISA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC001172121464 808183368 /nfs/dbraw/zinc/18/33/68/808183368.db2.gz JRMGCGPJHVAAMA-DGADGQDISA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H](COc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119378 808184259 /nfs/dbraw/zinc/18/42/59/808184259.db2.gz ZCEOJWKWIDMRMK-VQHPVUNQSA-N 2 1 288.435 3.059 20 0 CGADMP C[C@H](COc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119378 808184262 /nfs/dbraw/zinc/18/42/62/808184262.db2.gz ZCEOJWKWIDMRMK-VQHPVUNQSA-N 2 1 288.435 3.059 20 0 CGADMP C[N@H+](CCc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122402 808184271 /nfs/dbraw/zinc/18/42/71/808184271.db2.gz APSNNTLJWOBJGL-FVQHAEBGSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122402 808184274 /nfs/dbraw/zinc/18/42/74/808184274.db2.gz APSNNTLJWOBJGL-FVQHAEBGSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122402 808184275 /nfs/dbraw/zinc/18/42/75/808184275.db2.gz APSNNTLJWOBJGL-FVQHAEBGSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122402 808184278 /nfs/dbraw/zinc/18/42/78/808184278.db2.gz APSNNTLJWOBJGL-FVQHAEBGSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](Cc1ccsc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125940 808185677 /nfs/dbraw/zinc/18/56/77/808185677.db2.gz SCCSUHBZIOLTTP-FICVDOATSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1ccsc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125940 808185679 /nfs/dbraw/zinc/18/56/79/808185679.db2.gz SCCSUHBZIOLTTP-FICVDOATSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1ccsc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125940 808185680 /nfs/dbraw/zinc/18/56/80/808185680.db2.gz SCCSUHBZIOLTTP-FICVDOATSA-N 2 1 264.438 3.195 20 0 CGADMP COc1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172126451 808185754 /nfs/dbraw/zinc/18/57/54/808185754.db2.gz VZJPLEIZWRZOJD-FVQHAEBGSA-N 2 1 286.419 3.026 20 0 CGADMP COc1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172126451 808185759 /nfs/dbraw/zinc/18/57/59/808185759.db2.gz VZJPLEIZWRZOJD-FVQHAEBGSA-N 2 1 286.419 3.026 20 0 CGADMP COc1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172126451 808185762 /nfs/dbraw/zinc/18/57/62/808185762.db2.gz VZJPLEIZWRZOJD-FVQHAEBGSA-N 2 1 286.419 3.026 20 0 CGADMP CC(C)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172128871 808186800 /nfs/dbraw/zinc/18/68/00/808186800.db2.gz VDPYEZQVXNJIIS-BJWYYQGGSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172128871 808186804 /nfs/dbraw/zinc/18/68/04/808186804.db2.gz VDPYEZQVXNJIIS-BJWYYQGGSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001172374827 808268630 /nfs/dbraw/zinc/26/86/30/808268630.db2.gz RRNBCMGLJLNLHF-FMKPAKJESA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H]1C ZINC001172380436 808274441 /nfs/dbraw/zinc/27/44/41/808274441.db2.gz SULYOFRUGGDROR-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](CC(C)C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001172398481 808287367 /nfs/dbraw/zinc/28/73/67/808287367.db2.gz FICCLCHRCMGKMA-IAGOWNOFSA-N 2 1 260.425 3.197 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001172398481 808287378 /nfs/dbraw/zinc/28/73/78/808287378.db2.gz FICCLCHRCMGKMA-IAGOWNOFSA-N 2 1 260.425 3.197 20 0 CGADMP CC[C@@H](CC(C)C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001172407508 808295700 /nfs/dbraw/zinc/29/57/00/808295700.db2.gz OAXSHAORZLIRRQ-WMZOPIPTSA-N 2 1 296.499 3.386 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172457446 808327590 /nfs/dbraw/zinc/32/75/90/808327590.db2.gz AFGORWMDRMVARV-NXOAAHMSSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172457446 808327599 /nfs/dbraw/zinc/32/75/99/808327599.db2.gz AFGORWMDRMVARV-NXOAAHMSSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)COCC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172470794 808338244 /nfs/dbraw/zinc/33/82/44/808338244.db2.gz PEOUHQBIPQEVGB-KRWDZBQOSA-N 2 1 298.515 3.490 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172471482 808338738 /nfs/dbraw/zinc/33/87/38/808338738.db2.gz KWOQGOXBQGJNQD-IRXDYDNUSA-N 2 1 284.488 3.279 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172710123 808414918 /nfs/dbraw/zinc/41/49/18/808414918.db2.gz IUPSDXBSZYPNAJ-IKGGRYGDSA-N 2 1 292.854 3.270 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172720723 808418897 /nfs/dbraw/zinc/41/88/97/808418897.db2.gz VYXBBALLVNMPCO-KRWDZBQOSA-N 2 1 292.854 3.081 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172720464 808418925 /nfs/dbraw/zinc/41/89/25/808418925.db2.gz RJDWUNNCVBNOBS-KRWDZBQOSA-N 2 1 292.854 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172720464 808418931 /nfs/dbraw/zinc/41/89/31/808418931.db2.gz RJDWUNNCVBNOBS-KRWDZBQOSA-N 2 1 292.854 3.223 20 0 CGADMP [NH3+]CCc1c[nH+]cn1C1CCC(Cc2ccccc2)CC1 ZINC001172817134 808443335 /nfs/dbraw/zinc/44/33/35/808443335.db2.gz RSEGDMCIVHWQDQ-UHFFFAOYSA-N 2 1 283.419 3.358 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172860761 808465857 /nfs/dbraw/zinc/46/58/57/808465857.db2.gz FVOQBBWCAMUVPS-LBPRGKRZSA-N 2 1 286.822 3.471 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172873859 808472100 /nfs/dbraw/zinc/47/21/00/808472100.db2.gz OUIMWXQBNBBPRR-OLZOCXBDSA-N 2 1 298.883 3.362 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172926981 808484931 /nfs/dbraw/zinc/48/49/31/808484931.db2.gz DLXHOQYGOKTBGZ-MWQQHZPXSA-N 2 1 280.456 3.068 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001172934814 808488243 /nfs/dbraw/zinc/48/82/43/808488243.db2.gz BZUIMPVFFXQMQK-OKZBNKHCSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173042107 808498662 /nfs/dbraw/zinc/49/86/62/808498662.db2.gz UEHCIPLHHHBVSS-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@](C)(O)[C@H](C)C2)CC1 ZINC001173108345 808511823 /nfs/dbraw/zinc/51/18/23/808511823.db2.gz CHPWEEYCLWMYNE-CPFNUKBASA-N 2 1 296.499 3.122 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC001173109673 808512032 /nfs/dbraw/zinc/51/20/32/808512032.db2.gz JJELUZRCEFPAIJ-DAWZGUTISA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](OC(C)C)C2)CC1 ZINC001173112949 808513773 /nfs/dbraw/zinc/51/37/73/808513773.db2.gz FJCCWEVFBYXBDU-OFLPRAFFSA-N 2 1 282.472 3.139 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(CC)cc1 ZINC001173236612 808546183 /nfs/dbraw/zinc/54/61/83/808546183.db2.gz AYWPJXYRIRZZPK-OAHLLOKOSA-N 2 1 262.441 3.241 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173258870 808564671 /nfs/dbraw/zinc/56/46/71/808564671.db2.gz FIDWNMSNCSBIGD-IKGGRYGDSA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001173258870 808564677 /nfs/dbraw/zinc/56/46/77/808564677.db2.gz FIDWNMSNCSBIGD-IKGGRYGDSA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001173258870 808564680 /nfs/dbraw/zinc/56/46/80/808564680.db2.gz FIDWNMSNCSBIGD-IKGGRYGDSA-N 2 1 266.473 3.475 20 0 CGADMP CCSC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001173290695 808591546 /nfs/dbraw/zinc/59/15/46/808591546.db2.gz FQKRMMONJIDLOM-NVXWUHKLSA-N 2 1 292.492 3.240 20 0 CGADMP CC[N@H+]1CC[C@@H](n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)C1 ZINC001173373476 808633108 /nfs/dbraw/zinc/63/31/08/808633108.db2.gz XOVSUUZLWMJAGV-GDBMZVCRSA-N 2 1 298.434 3.118 20 0 CGADMP CC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275051184 808901400 /nfs/dbraw/zinc/90/14/00/808901400.db2.gz QETJILABCZUUPS-SFHVURJKSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275051184 808901407 /nfs/dbraw/zinc/90/14/07/808901407.db2.gz QETJILABCZUUPS-SFHVURJKSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)(C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275051184 808901416 /nfs/dbraw/zinc/90/14/16/808901416.db2.gz QETJILABCZUUPS-SFHVURJKSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)(C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275051184 808901423 /nfs/dbraw/zinc/90/14/23/808901423.db2.gz QETJILABCZUUPS-SFHVURJKSA-N 2 1 289.467 3.349 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275074657 808905134 /nfs/dbraw/zinc/90/51/34/808905134.db2.gz UMPILYCNYNFAKL-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275074657 808905140 /nfs/dbraw/zinc/90/51/40/808905140.db2.gz UMPILYCNYNFAKL-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275074657 808905147 /nfs/dbraw/zinc/90/51/47/808905147.db2.gz UMPILYCNYNFAKL-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCc3ccccc3)C2)C1 ZINC001275089164 808906454 /nfs/dbraw/zinc/90/64/54/808906454.db2.gz SKXVJPOLTCUFJY-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001275089164 808906458 /nfs/dbraw/zinc/90/64/58/808906458.db2.gz SKXVJPOLTCUFJY-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001275089164 808906462 /nfs/dbraw/zinc/90/64/62/808906462.db2.gz SKXVJPOLTCUFJY-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275307593 808927647 /nfs/dbraw/zinc/92/76/47/808927647.db2.gz FGSXLLXHASANGP-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@H+]1CCC[C@]2(CCCN(Cc3ccc4ncoc4c3)C2)C1 ZINC001275614301 808951702 /nfs/dbraw/zinc/95/17/02/808951702.db2.gz VIFQSPHONBGFMA-SFHVURJKSA-N 2 1 299.418 3.136 20 0 CGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc4ncoc4c3)C2)C1 ZINC001275614301 808951706 /nfs/dbraw/zinc/95/17/06/808951706.db2.gz VIFQSPHONBGFMA-SFHVURJKSA-N 2 1 299.418 3.136 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc4ncoc4c3)C2)C1 ZINC001275614301 808951711 /nfs/dbraw/zinc/95/17/11/808951711.db2.gz VIFQSPHONBGFMA-SFHVURJKSA-N 2 1 299.418 3.136 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc4ncoc4c3)C2)C1 ZINC001275614301 808951716 /nfs/dbraw/zinc/95/17/16/808951716.db2.gz VIFQSPHONBGFMA-SFHVURJKSA-N 2 1 299.418 3.136 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc4ncoc4c3)C2)C1 ZINC001275614301 808951719 /nfs/dbraw/zinc/95/17/19/808951719.db2.gz VIFQSPHONBGFMA-SFHVURJKSA-N 2 1 299.418 3.136 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)s1 ZINC001275861356 808972804 /nfs/dbraw/zinc/97/28/04/808972804.db2.gz PGXTWHJNLRAKQR-MRXNPFEDSA-N 2 1 278.465 3.364 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276031116 808985163 /nfs/dbraw/zinc/98/51/63/808985163.db2.gz HDQBMUMZSFOFFL-CVEARBPZSA-N 2 1 276.468 3.373 20 0 CGADMP CSc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276340564 809003228 /nfs/dbraw/zinc/00/32/28/809003228.db2.gz MACIHVCXWSWUPI-GASCZTMLSA-N 2 1 290.476 3.182 20 0 CGADMP CSc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276340564 809003234 /nfs/dbraw/zinc/00/32/34/809003234.db2.gz MACIHVCXWSWUPI-GASCZTMLSA-N 2 1 290.476 3.182 20 0 CGADMP CSc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276340564 809003240 /nfs/dbraw/zinc/00/32/40/809003240.db2.gz MACIHVCXWSWUPI-GASCZTMLSA-N 2 1 290.476 3.182 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@H]2CC1 ZINC001276618411 809022232 /nfs/dbraw/zinc/02/22/32/809022232.db2.gz OUXIDUNLCJRFJZ-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@H]2CC1 ZINC001276618411 809022238 /nfs/dbraw/zinc/02/22/38/809022238.db2.gz OUXIDUNLCJRFJZ-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@H]2CC1 ZINC001276618411 809022246 /nfs/dbraw/zinc/02/22/46/809022246.db2.gz OUXIDUNLCJRFJZ-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001276791232 809031848 /nfs/dbraw/zinc/03/18/48/809031848.db2.gz ZNNNBPRCGYLUOY-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001276791232 809031855 /nfs/dbraw/zinc/03/18/55/809031855.db2.gz ZNNNBPRCGYLUOY-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001276791232 809031863 /nfs/dbraw/zinc/03/18/63/809031863.db2.gz ZNNNBPRCGYLUOY-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001276791232 809031867 /nfs/dbraw/zinc/03/18/67/809031867.db2.gz ZNNNBPRCGYLUOY-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1cc(N2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cc[nH+]1 ZINC001277063980 809055955 /nfs/dbraw/zinc/05/59/55/809055955.db2.gz DJMPJYMKCMLIDN-CALCHBBNSA-N 2 1 299.462 3.481 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1)CC(F)(F)F ZINC001278182903 809117943 /nfs/dbraw/zinc/11/79/43/809117943.db2.gz AXNQSFSXGFUNSB-UONOGXRCSA-N 2 1 292.389 3.383 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1)CC(F)(F)F ZINC001278182903 809117946 /nfs/dbraw/zinc/11/79/46/809117946.db2.gz AXNQSFSXGFUNSB-UONOGXRCSA-N 2 1 292.389 3.383 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001278182903 809117949 /nfs/dbraw/zinc/11/79/49/809117949.db2.gz AXNQSFSXGFUNSB-UONOGXRCSA-N 2 1 292.389 3.383 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001175070271 809258880 /nfs/dbraw/zinc/25/88/80/809258880.db2.gz POUNBWRTZWDSKJ-CGTJXYLNSA-N 2 1 272.436 3.330 20 0 CGADMP CCc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001175505346 809433041 /nfs/dbraw/zinc/43/30/41/809433041.db2.gz MFVPYTKCHKROER-UHFFFAOYSA-N 2 1 293.414 3.268 20 0 CGADMP C[N@@H+]1CCC=C(Nc2cc[nH+]c(-c3ccccc3)c2)C1 ZINC001175574986 809456916 /nfs/dbraw/zinc/45/69/16/809456916.db2.gz IOTKPTRCFYFLIE-UHFFFAOYSA-N 2 1 265.360 3.380 20 0 CGADMP C[N@H+]1CCC=C(Nc2cc[nH+]c(-c3ccccc3)c2)C1 ZINC001175574986 809456919 /nfs/dbraw/zinc/45/69/19/809456919.db2.gz IOTKPTRCFYFLIE-UHFFFAOYSA-N 2 1 265.360 3.380 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177009115 809774595 /nfs/dbraw/zinc/77/45/95/809774595.db2.gz XUHDNHYKLWPAGR-YESZJQIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[C@H](C)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177009115 809774599 /nfs/dbraw/zinc/77/45/99/809774599.db2.gz XUHDNHYKLWPAGR-YESZJQIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[C@H](C)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177009115 809774603 /nfs/dbraw/zinc/77/46/03/809774603.db2.gz XUHDNHYKLWPAGR-YESZJQIVSA-N 2 1 264.457 3.229 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001177209689 809787589 /nfs/dbraw/zinc/78/75/89/809787589.db2.gz QYAIIKNDNCTPGU-ARFHVFGLSA-N 2 1 284.513 3.371 20 0 CGADMP COCC[NH+]1CCC([NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC001177501075 809802415 /nfs/dbraw/zinc/80/24/15/809802415.db2.gz AYVJHWPJLVHKTL-UHFFFAOYSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@](C)(CC)C2)CC1 ZINC001179957709 809963596 /nfs/dbraw/zinc/96/35/96/809963596.db2.gz QAVNGYSLMCZRGD-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC001181506328 810056877 /nfs/dbraw/zinc/05/68/77/810056877.db2.gz QESRBXRDKMZJJA-CYBMUJFWSA-N 2 1 284.394 3.342 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CCCCCC3)CC[C@H]21 ZINC001197033782 811392893 /nfs/dbraw/zinc/39/28/93/811392893.db2.gz YDQPAUUSBAPRPJ-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CCCCCC3)CC[C@H]21 ZINC001197033782 811392902 /nfs/dbraw/zinc/39/29/02/811392902.db2.gz YDQPAUUSBAPRPJ-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CCCCCC3)CC[C@H]21 ZINC001197033782 811392912 /nfs/dbraw/zinc/39/29/12/811392912.db2.gz YDQPAUUSBAPRPJ-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CCCCCC3)CC[C@H]21 ZINC001197033782 811392922 /nfs/dbraw/zinc/39/29/22/811392922.db2.gz YDQPAUUSBAPRPJ-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)CC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC001201398397 811827481 /nfs/dbraw/zinc/82/74/81/811827481.db2.gz IWBMHDMQCNTCOS-UHFFFAOYSA-N 2 1 261.413 3.064 20 0 CGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001201399818 811829893 /nfs/dbraw/zinc/82/98/93/811829893.db2.gz ITJLWHYUGFRWNG-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001201401656 811831594 /nfs/dbraw/zinc/83/15/94/811831594.db2.gz OYQSTTNUORFGCC-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC[C@H](C)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201503310 811872086 /nfs/dbraw/zinc/87/20/86/811872086.db2.gz OFFSGBAPLQBUFX-LSDHHAIUSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@H](C)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201503310 811872095 /nfs/dbraw/zinc/87/20/95/811872095.db2.gz OFFSGBAPLQBUFX-LSDHHAIUSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@H](C)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201503310 811872098 /nfs/dbraw/zinc/87/20/98/811872098.db2.gz OFFSGBAPLQBUFX-LSDHHAIUSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@H](C)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201503310 811872108 /nfs/dbraw/zinc/87/21/08/811872108.db2.gz OFFSGBAPLQBUFX-LSDHHAIUSA-N 2 1 292.471 3.146 20 0 CGADMP CC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001201580939 811911755 /nfs/dbraw/zinc/91/17/55/811911755.db2.gz LNEZESHKAJTCRX-NUEKZKHPSA-N 2 1 278.465 3.300 20 0 CGADMP CC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001201580939 811911761 /nfs/dbraw/zinc/91/17/61/811911761.db2.gz LNEZESHKAJTCRX-NUEKZKHPSA-N 2 1 278.465 3.300 20 0 CGADMP CC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001201580939 811911765 /nfs/dbraw/zinc/91/17/65/811911765.db2.gz LNEZESHKAJTCRX-NUEKZKHPSA-N 2 1 278.465 3.300 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CCC2CC2)cc1 ZINC001204270543 812592820 /nfs/dbraw/zinc/59/28/20/812592820.db2.gz UQYHAAUUVIUXAB-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CC[C@@H]1CCCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001204298606 812605502 /nfs/dbraw/zinc/60/55/02/812605502.db2.gz ITEDCWIASNFVNJ-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001204438415 812639186 /nfs/dbraw/zinc/63/91/86/812639186.db2.gz BBGMWRZNSVWGMI-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001204585755 812682142 /nfs/dbraw/zinc/68/21/42/812682142.db2.gz YJWZFMSXJZLCHD-GOSISDBHSA-N 2 1 272.436 3.208 20 0 CGADMP c1csc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)c1 ZINC001204675751 812705960 /nfs/dbraw/zinc/70/59/60/812705960.db2.gz WFTIWRIZDIYCFF-UHFFFAOYSA-N 2 1 272.417 3.210 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)c1 ZINC001204675751 812705962 /nfs/dbraw/zinc/70/59/62/812705962.db2.gz WFTIWRIZDIYCFF-UHFFFAOYSA-N 2 1 272.417 3.210 20 0 CGADMP Oc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735519 812719963 /nfs/dbraw/zinc/71/99/63/812719963.db2.gz WOJYJLKTBQNSJA-UHFFFAOYSA-N 2 1 294.826 3.011 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204792181 812737661 /nfs/dbraw/zinc/73/76/61/812737661.db2.gz VCVMHFZHFKPPJX-HNNXBMFYSA-N 2 1 260.406 3.133 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204792181 812737665 /nfs/dbraw/zinc/73/76/65/812737665.db2.gz VCVMHFZHFKPPJX-HNNXBMFYSA-N 2 1 260.406 3.133 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)s1 ZINC001205009549 812822986 /nfs/dbraw/zinc/82/29/86/812822986.db2.gz WRCHRRJVYIUIGL-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(C)c2OC(C)C)C1 ZINC001205018771 812829120 /nfs/dbraw/zinc/82/91/20/812829120.db2.gz YZXSYMSCTSVVQV-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C)c2OC(C)C)C1 ZINC001205018771 812829133 /nfs/dbraw/zinc/82/91/33/812829133.db2.gz YZXSYMSCTSVVQV-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2ccccc2c1 ZINC001205064849 812842198 /nfs/dbraw/zinc/84/21/98/812842198.db2.gz XVOZGLWSGJGWMZ-GUYCJALGSA-N 2 1 254.377 3.151 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2ccccc2c1 ZINC001205064849 812842206 /nfs/dbraw/zinc/84/22/06/812842206.db2.gz XVOZGLWSGJGWMZ-GUYCJALGSA-N 2 1 254.377 3.151 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC001205093569 812858336 /nfs/dbraw/zinc/85/83/36/812858336.db2.gz BPPZBUPDIXUKPJ-LESVLKBLSA-N 2 1 276.468 3.406 20 0 CGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109950 812870316 /nfs/dbraw/zinc/87/03/16/812870316.db2.gz NQJOWGNLGNXELI-CQSZACIVSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109950 812870324 /nfs/dbraw/zinc/87/03/24/812870324.db2.gz NQJOWGNLGNXELI-CQSZACIVSA-N 2 1 297.240 3.071 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117884 812875165 /nfs/dbraw/zinc/87/51/65/812875165.db2.gz XSOJSLOMDQGJHA-OAHLLOKOSA-N 2 1 276.424 3.177 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001205124719 812878986 /nfs/dbraw/zinc/87/89/86/812878986.db2.gz YPQCIXXESQFTKA-SFHVURJKSA-N 2 1 299.393 3.201 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(C(C)(C)C)CC1 ZINC001205164592 812895346 /nfs/dbraw/zinc/89/53/46/812895346.db2.gz INYLFCRZKJIRLG-JSGCOSHPSA-N 2 1 288.426 3.235 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001205171764 812896662 /nfs/dbraw/zinc/89/66/62/812896662.db2.gz XVLDDNGYZRWOPC-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC001205171764 812896669 /nfs/dbraw/zinc/89/66/69/812896669.db2.gz XVLDDNGYZRWOPC-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001205266750 812922396 /nfs/dbraw/zinc/92/23/96/812922396.db2.gz XFHVPQBYTLCCLN-QGZVFWFLSA-N 2 1 285.391 3.045 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001205266750 812922401 /nfs/dbraw/zinc/92/24/01/812922401.db2.gz XFHVPQBYTLCCLN-QGZVFWFLSA-N 2 1 285.391 3.045 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001205266748 812922498 /nfs/dbraw/zinc/92/24/98/812922498.db2.gz XFHVPQBYTLCCLN-KRWDZBQOSA-N 2 1 285.391 3.045 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001205266748 812922503 /nfs/dbraw/zinc/92/25/03/812922503.db2.gz XFHVPQBYTLCCLN-KRWDZBQOSA-N 2 1 285.391 3.045 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)cc21 ZINC001205273127 812924341 /nfs/dbraw/zinc/92/43/41/812924341.db2.gz FNVLHRCSPNQEEI-SFHVURJKSA-N 2 1 285.435 3.365 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC001205273419 812924453 /nfs/dbraw/zinc/92/44/53/812924453.db2.gz KNROMSUCAMBJGE-MRXNPFEDSA-N 2 1 258.365 3.136 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1Cl ZINC001205274342 812926685 /nfs/dbraw/zinc/92/66/85/812926685.db2.gz VTYVOQHNWWMDHX-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001205295656 812936095 /nfs/dbraw/zinc/93/60/95/812936095.db2.gz AXLCSYMTTSANMY-MRXNPFEDSA-N 2 1 275.371 3.010 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205296575 812937795 /nfs/dbraw/zinc/93/77/95/812937795.db2.gz RINGVXOKHGWSLW-QGZVFWFLSA-N 2 1 276.424 3.097 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205296253 812938215 /nfs/dbraw/zinc/93/82/15/812938215.db2.gz JZJZXKAAAXAXPX-XHSDSOJGSA-N 2 1 252.446 3.286 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC001205304770 812943655 /nfs/dbraw/zinc/94/36/55/812943655.db2.gz PQCPWYXKVZPGAL-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC001205304770 812943661 /nfs/dbraw/zinc/94/36/61/812943661.db2.gz PQCPWYXKVZPGAL-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205314859 812947891 /nfs/dbraw/zinc/94/78/91/812947891.db2.gz CTNCXUPNBNQEDR-XHDPSFHLSA-N 2 1 280.843 3.374 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C)c1Cl ZINC001205315781 812949023 /nfs/dbraw/zinc/94/90/23/812949023.db2.gz GYLLOMOXXHPYEU-ABAIWWIYSA-N 2 1 280.843 3.374 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205317967 812950822 /nfs/dbraw/zinc/95/08/22/812950822.db2.gz RBIXNAZHDXELQU-RISCZKNCSA-N 2 1 280.843 3.374 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(F)c1 ZINC001205319074 812951941 /nfs/dbraw/zinc/95/19/41/812951941.db2.gz YFUJCJMLRLYRSP-ZFWWWQNUSA-N 2 1 294.414 3.030 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(F)c1 ZINC001205319074 812951946 /nfs/dbraw/zinc/95/19/46/812951946.db2.gz YFUJCJMLRLYRSP-ZFWWWQNUSA-N 2 1 294.414 3.030 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC001205319380 812951964 /nfs/dbraw/zinc/95/19/64/812951964.db2.gz ZIZQSWVHCQMMHS-RDJZCZTQSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205326298 812956233 /nfs/dbraw/zinc/95/62/33/812956233.db2.gz XZNAAQCAJBLFMU-NSHDSACASA-N 2 1 277.799 3.005 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205326298 812956236 /nfs/dbraw/zinc/95/62/36/812956236.db2.gz XZNAAQCAJBLFMU-NSHDSACASA-N 2 1 277.799 3.005 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(C(F)F)c2)CC1 ZINC001205545494 812999817 /nfs/dbraw/zinc/99/98/17/812999817.db2.gz IAOLYZYCNOLVDO-OAHLLOKOSA-N 2 1 286.341 3.277 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001205559870 813003661 /nfs/dbraw/zinc/00/36/61/813003661.db2.gz WDSAQVPRGMSVRG-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205600923 813017101 /nfs/dbraw/zinc/01/71/01/813017101.db2.gz CLTLOXOTRUBPFV-ZFWWWQNUSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205600959 813017720 /nfs/dbraw/zinc/01/77/20/813017720.db2.gz COWSZVJPMZLXPW-BRWVUGGUSA-N 2 1 298.515 3.261 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)CC[C@H]1C[NH3+] ZINC001205603357 813019393 /nfs/dbraw/zinc/01/93/93/813019393.db2.gz OLQDFEUFCYSFRY-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205604304 813019971 /nfs/dbraw/zinc/01/99/71/813019971.db2.gz USPMEDACYWLLAZ-XJKSGUPXSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205603331 813020374 /nfs/dbraw/zinc/02/03/74/813020374.db2.gz OCTJEYISFDOUKT-ZFWWWQNUSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3cccnc32)CC[C@@H]1C[NH3+] ZINC001205618627 813028383 /nfs/dbraw/zinc/02/83/83/813028383.db2.gz XUPDWHBBLWVTJT-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205618795 813029066 /nfs/dbraw/zinc/02/90/66/813029066.db2.gz YWKUDGQXARMDKF-DGCLKSJQSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)CC[C@H]1C[NH3+] ZINC001205626302 813031593 /nfs/dbraw/zinc/03/15/93/813031593.db2.gz FNWSESLJMPCTPG-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC[C@H]1C[NH3+] ZINC001205627492 813032469 /nfs/dbraw/zinc/03/24/69/813032469.db2.gz PYTXNSZNQBMJGZ-WMZOPIPTSA-N 2 1 297.446 3.284 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3cnccc32)CC[C@@H]1C[NH3+] ZINC001205627236 813032529 /nfs/dbraw/zinc/03/25/29/813032529.db2.gz OGHKPSXTKKCMRU-LSDHHAIUSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ncsc3c2)CC[C@@H]1C[NH3+] ZINC001205638864 813037656 /nfs/dbraw/zinc/03/76/56/813037656.db2.gz SRKCRRPQKLOFMG-GXTWGEPZSA-N 2 1 289.448 3.103 20 0 CGADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1F ZINC001205639468 813038784 /nfs/dbraw/zinc/03/87/84/813038784.db2.gz ZFTPAJQOHQWENG-UKRRQHHQSA-N 2 1 294.414 3.031 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205651814 813041988 /nfs/dbraw/zinc/04/19/88/813041988.db2.gz KBTYSRNILIKAFH-HOTGVXAUSA-N 2 1 290.451 3.201 20 0 CGADMP Cc1c[nH+]c(Nc2ccc(C[NH2+]CC(C)C)cc2)c(N)c1 ZINC001215743704 815572964 /nfs/dbraw/zinc/57/29/64/815572964.db2.gz GWNLFQUKXGCYGQ-UHFFFAOYSA-N 2 1 284.407 3.461 20 0 CGADMP CC(C)C[NH2+]Cc1ccc(-n2c[nH+]c3cccc(N)c32)cc1 ZINC001215745111 815573132 /nfs/dbraw/zinc/57/31/32/815573132.db2.gz HYEDTNPONLDLEE-UHFFFAOYSA-N 2 1 294.402 3.353 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc3sccc32)CCC1(F)F ZINC001205788077 813078250 /nfs/dbraw/zinc/07/82/50/813078250.db2.gz LLNHNLUMCUDROX-LBPRGKRZSA-N 2 1 296.386 3.317 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3sccc32)CCC1(F)F ZINC001205788077 813078261 /nfs/dbraw/zinc/07/82/61/813078261.db2.gz LLNHNLUMCUDROX-LBPRGKRZSA-N 2 1 296.386 3.317 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001205863207 813112764 /nfs/dbraw/zinc/11/27/64/813112764.db2.gz JIBJLVKADOHOOB-OYNZBZHQSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001205863207 813112769 /nfs/dbraw/zinc/11/27/69/813112769.db2.gz JIBJLVKADOHOOB-OYNZBZHQSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)nc1 ZINC001205901577 813122493 /nfs/dbraw/zinc/12/24/93/813122493.db2.gz DIHCQIZWHGKEME-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(C)c1 ZINC001205901754 813122695 /nfs/dbraw/zinc/12/26/95/813122695.db2.gz GAOFZHKFQOOTOA-HOTGVXAUSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205903047 813125090 /nfs/dbraw/zinc/12/50/90/813125090.db2.gz NERWUYBWYQRZID-ZIAGYGMSSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1Br ZINC001205903531 813126634 /nfs/dbraw/zinc/12/66/34/813126634.db2.gz QAUDPGSTRSTVAX-VXGBXAGGSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1Br ZINC001205903531 813126635 /nfs/dbraw/zinc/12/66/35/813126635.db2.gz QAUDPGSTRSTVAX-VXGBXAGGSA-N 2 1 297.240 3.008 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H]3C)ccc2c1 ZINC001205904847 813128364 /nfs/dbraw/zinc/12/83/64/813128364.db2.gz XESOHJMSXKTPQJ-KBXCAEBGSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1OC(C)(C)C ZINC001205912817 813129903 /nfs/dbraw/zinc/12/99/03/813129903.db2.gz CVDLIGYPWBZSDZ-HUUCEWRRSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001205922834 813133695 /nfs/dbraw/zinc/13/36/95/813133695.db2.gz BMJCOOTUGJDJDS-KRWDZBQOSA-N 2 1 290.451 3.259 20 0 CGADMP CC(C)C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001205922834 813133700 /nfs/dbraw/zinc/13/37/00/813133700.db2.gz BMJCOOTUGJDJDS-KRWDZBQOSA-N 2 1 290.451 3.259 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001205922841 813133932 /nfs/dbraw/zinc/13/39/32/813133932.db2.gz BNRLJQCIMFIVCW-QGZVFWFLSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001205922841 813133935 /nfs/dbraw/zinc/13/39/35/813133935.db2.gz BNRLJQCIMFIVCW-QGZVFWFLSA-N 2 1 260.425 3.287 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205981000 813151455 /nfs/dbraw/zinc/15/14/55/813151455.db2.gz AQIQXBABDYFDKD-JKSUJKDBSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCC[C@H]1C[NH3+] ZINC001205982530 813151530 /nfs/dbraw/zinc/15/15/30/813151530.db2.gz MGRYUCJBQRVIKQ-OLZOCXBDSA-N 2 1 266.816 3.147 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2ccc(F)cc2)CCC[C@@H]1C[NH3+] ZINC001205984475 813151927 /nfs/dbraw/zinc/15/19/27/813151927.db2.gz SGZFEVMKMOIMBM-GDBMZVCRSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCC[C@H]1C[NH3+] ZINC001205993402 813155403 /nfs/dbraw/zinc/15/54/03/813155403.db2.gz HMVKJPUSCNBMSM-PBHICJAKSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCC[C@@H]1C[NH3+] ZINC001205993404 813155600 /nfs/dbraw/zinc/15/56/00/813155600.db2.gz HMVKJPUSCNBMSM-RHSMWYFYSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205995765 813156658 /nfs/dbraw/zinc/15/66/58/813156658.db2.gz QAZLQLWHOZSKMD-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCC[C@H]1C[NH3+] ZINC001205995790 813157076 /nfs/dbraw/zinc/15/70/76/813157076.db2.gz QKSZVMBTGXDYHJ-WFASDCNBSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3F)CCC[C@H]1C[NH3+] ZINC001205997082 813158020 /nfs/dbraw/zinc/15/80/20/813158020.db2.gz ZQYQGQQQVCBRED-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)ccc2c1 ZINC001205996776 813158586 /nfs/dbraw/zinc/15/85/86/813158586.db2.gz YHVGPRYVYWOSOE-NVXWUHKLSA-N 2 1 297.446 3.350 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206005970 813161927 /nfs/dbraw/zinc/16/19/27/813161927.db2.gz ZQSVDYGLMNIWMC-KBPBESRZSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001206013589 813164620 /nfs/dbraw/zinc/16/46/20/813164620.db2.gz SRLIDKCAJJTVID-DZGCQCFKSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ncsc3c2)CCC[C@H]1C[NH3+] ZINC001206014241 813166429 /nfs/dbraw/zinc/16/64/29/813166429.db2.gz WHDLRGVNPPMIFJ-JSGCOSHPSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)CCC[C@@H]1C[NH3+] ZINC001206024151 813168579 /nfs/dbraw/zinc/16/85/79/813168579.db2.gz IIDWLHNDYKANOA-GDBMZVCRSA-N 2 1 299.418 3.148 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)nc1C ZINC001206036362 813175577 /nfs/dbraw/zinc/17/55/77/813175577.db2.gz IWXRUHQGOCQJLI-GXTWGEPZSA-N 2 1 295.858 3.159 20 0 CGADMP Cc1cccc2c1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001206081602 813194268 /nfs/dbraw/zinc/19/42/68/813194268.db2.gz NYALLVBLWPFBCG-UHFFFAOYSA-N 2 1 270.420 3.090 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156268 813216412 /nfs/dbraw/zinc/21/64/12/813216412.db2.gz PQHWSNZMTWTHEX-RRFJBIMHSA-N 2 1 256.409 3.130 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156268 813216415 /nfs/dbraw/zinc/21/64/15/813216415.db2.gz PQHWSNZMTWTHEX-RRFJBIMHSA-N 2 1 256.409 3.130 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCCCc2ccccc2)CC[C@@H]1F ZINC001206156223 813216930 /nfs/dbraw/zinc/21/69/30/813216930.db2.gz OUCXWPBWLFEHIN-DLBZAZTESA-N 2 1 278.415 3.161 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCCCc2ccccc2)CC[C@@H]1F ZINC001206156223 813216934 /nfs/dbraw/zinc/21/69/34/813216934.db2.gz OUCXWPBWLFEHIN-DLBZAZTESA-N 2 1 278.415 3.161 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3ccccc3c2)CC[C@H]1F ZINC001206157533 813218093 /nfs/dbraw/zinc/21/80/93/813218093.db2.gz ZMZOXDMQCQOTSF-SJORKVTESA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1F ZINC001206157533 813218098 /nfs/dbraw/zinc/21/80/98/813218098.db2.gz ZMZOXDMQCQOTSF-SJORKVTESA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@@H]1F ZINC001206167325 813222609 /nfs/dbraw/zinc/22/26/09/813222609.db2.gz YHBVHANFCSCFOX-STQMWFEESA-N 2 1 295.789 3.083 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206174977 813225646 /nfs/dbraw/zinc/22/56/46/813225646.db2.gz QZUOOSJEYCCGNU-HZPDHXFCSA-N 2 1 278.415 3.245 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206185913 813231927 /nfs/dbraw/zinc/23/19/27/813231927.db2.gz PFIPQHVQBIXULC-ZWKOTPCHSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206185913 813231931 /nfs/dbraw/zinc/23/19/31/813231931.db2.gz PFIPQHVQBIXULC-ZWKOTPCHSA-N 2 1 286.394 3.409 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206212957 813242862 /nfs/dbraw/zinc/24/28/62/813242862.db2.gz TZUGEFSGJXRBIE-UONOGXRCSA-N 2 1 282.428 3.060 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001206247107 813253461 /nfs/dbraw/zinc/25/34/61/813253461.db2.gz GEMAPIJYQHCMCV-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001206247107 813253463 /nfs/dbraw/zinc/25/34/63/813253463.db2.gz GEMAPIJYQHCMCV-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206263247 813262259 /nfs/dbraw/zinc/26/22/59/813262259.db2.gz SRCAIZPCBGMRBU-HNNXBMFYSA-N 2 1 268.404 3.332 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269445 813264243 /nfs/dbraw/zinc/26/42/43/813264243.db2.gz NCAARMBSAQCJGC-AWFCHZOYSA-N 2 1 252.446 3.444 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206276078 813267736 /nfs/dbraw/zinc/26/77/36/813267736.db2.gz BHALUSZPYGVLBS-CQSZACIVSA-N 2 1 268.404 3.190 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001206285984 813272203 /nfs/dbraw/zinc/27/22/03/813272203.db2.gz QJCFYWUXENBKTF-HNNXBMFYSA-N 2 1 296.414 3.101 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001206285984 813272208 /nfs/dbraw/zinc/27/22/08/813272208.db2.gz QJCFYWUXENBKTF-HNNXBMFYSA-N 2 1 296.414 3.101 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1C ZINC001206296751 813277088 /nfs/dbraw/zinc/27/70/88/813277088.db2.gz UMMQKDJXEFWZTB-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC001206296831 813277184 /nfs/dbraw/zinc/27/71/84/813277184.db2.gz VCHDBLDJGZTIAY-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)c1F ZINC001206304453 813280591 /nfs/dbraw/zinc/28/05/91/813280591.db2.gz KWOWGEDXFNEVSU-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206305239 813281239 /nfs/dbraw/zinc/28/12/39/813281239.db2.gz WYIANZIHYPVGLU-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1F ZINC001206304666 813281809 /nfs/dbraw/zinc/28/18/09/813281809.db2.gz NQBYRQLHAFASRL-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc(F)c1F ZINC001206310927 813284017 /nfs/dbraw/zinc/28/40/17/813284017.db2.gz FKORXXBCFASGLZ-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001206318087 813287179 /nfs/dbraw/zinc/28/71/79/813287179.db2.gz MJGIMOVTCJXSLM-CYBMUJFWSA-N 2 1 290.329 3.249 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001206335210 813292375 /nfs/dbraw/zinc/29/23/75/813292375.db2.gz CNHZOLQIBLVBAZ-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC001206335566 813294647 /nfs/dbraw/zinc/29/46/47/813294647.db2.gz GGFWKANIKRRUKH-SFHVURJKSA-N 2 1 272.436 3.126 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCc2ccccc2F)C1 ZINC001206541826 813344278 /nfs/dbraw/zinc/34/42/78/813344278.db2.gz LFBZSTOEEMBSQF-QGZVFWFLSA-N 2 1 278.415 3.209 20 0 CGADMP COc1cccc(CCC[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206541780 813344837 /nfs/dbraw/zinc/34/48/37/813344837.db2.gz KCSWQJHUDALNOL-SFHVURJKSA-N 2 1 290.451 3.079 20 0 CGADMP COc1ccc(CCC[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542067 813345505 /nfs/dbraw/zinc/34/55/05/813345505.db2.gz QOTMWQGXXQKQHK-GOSISDBHSA-N 2 1 290.451 3.079 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542110 813345537 /nfs/dbraw/zinc/34/55/37/813345537.db2.gz ROKWEAATXOFOLE-MRXNPFEDSA-N 2 1 278.465 3.359 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001206549363 813348127 /nfs/dbraw/zinc/34/81/27/813348127.db2.gz LYTPWPPRGOCUJA-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC001206548771 813348570 /nfs/dbraw/zinc/34/85/70/813348570.db2.gz ISDYTMVPDJANMN-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1C ZINC001206550193 813348969 /nfs/dbraw/zinc/34/89/69/813348969.db2.gz XJBLRXOVEGYYSL-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)ccc2n1 ZINC001206556723 813351593 /nfs/dbraw/zinc/35/15/93/813351593.db2.gz WBPSLTNLNBKTQP-IBGZPJMESA-N 2 1 297.446 3.494 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC001206556892 813352341 /nfs/dbraw/zinc/35/23/41/813352341.db2.gz ZILMEBQZAVBZEF-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001206564170 813354408 /nfs/dbraw/zinc/35/44/08/813354408.db2.gz LZGUDKHUCSHQQJ-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001206563686 813355161 /nfs/dbraw/zinc/35/51/61/813355161.db2.gz HBQCYTDFTAFTPA-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1F ZINC001206563529 813355552 /nfs/dbraw/zinc/35/55/52/813355552.db2.gz FTIIAOMZMLWDGF-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1F ZINC001206563529 813355558 /nfs/dbraw/zinc/35/55/58/813355558.db2.gz FTIIAOMZMLWDGF-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc2c1 ZINC001206616870 813375230 /nfs/dbraw/zinc/37/52/30/813375230.db2.gz SLDVSBHBHRJSNC-AWEZNQCLSA-N 2 1 271.408 3.037 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCCC[C@H](C[NH3+])C3)c[nH]c21 ZINC001206616006 813375784 /nfs/dbraw/zinc/37/57/84/813375784.db2.gz LMYHJXSRPAHKEK-CQSZACIVSA-N 2 1 271.408 3.037 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001206767451 813430703 /nfs/dbraw/zinc/43/07/03/813430703.db2.gz BPJMZVXHKMBOJJ-HOCLYGCPSA-N 2 1 290.451 3.423 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cccc2)cc1 ZINC001206769015 813431934 /nfs/dbraw/zinc/43/19/34/813431934.db2.gz MJFFHPCJANXHFV-NVXWUHKLSA-N 2 1 283.419 3.037 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206806545 813442232 /nfs/dbraw/zinc/44/22/32/813442232.db2.gz GOAYUNBZLMFEEK-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001207286462 813536939 /nfs/dbraw/zinc/53/69/39/813536939.db2.gz SCWXCPZMHQFBPG-KRWDZBQOSA-N 2 1 290.451 3.118 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001207286462 813536946 /nfs/dbraw/zinc/53/69/46/813536946.db2.gz SCWXCPZMHQFBPG-KRWDZBQOSA-N 2 1 290.451 3.118 20 0 CGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC001207294972 813538604 /nfs/dbraw/zinc/53/86/04/813538604.db2.gz XZHSETQKSSPTMR-RBUKOAKNSA-N 2 1 284.447 3.383 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)CC1 ZINC001207398219 813556769 /nfs/dbraw/zinc/55/67/69/813556769.db2.gz AIGGXNUQLAVYLW-KRWDZBQOSA-N 2 1 294.389 3.444 20 0 CGADMP C[NH+](C)C1CC[NH+](CCCc2cccc(Cl)c2)CC1 ZINC001207584603 813600905 /nfs/dbraw/zinc/60/09/05/813600905.db2.gz KUPSUYFFQVVOAR-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001207838144 813658852 /nfs/dbraw/zinc/65/88/52/813658852.db2.gz WIQITCZOEIIEMI-YYWYGQEZSA-N 2 1 276.468 3.441 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC001208151604 813710561 /nfs/dbraw/zinc/71/05/61/813710561.db2.gz LWTRKPBBXOQEAL-ZDUSSCGKSA-N 2 1 264.413 3.108 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC001208151604 813710563 /nfs/dbraw/zinc/71/05/63/813710563.db2.gz LWTRKPBBXOQEAL-ZDUSSCGKSA-N 2 1 264.413 3.108 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001208172651 813727336 /nfs/dbraw/zinc/72/73/36/813727336.db2.gz ZLHFAJJCJHLNOE-WMZOPIPTSA-N 2 1 288.479 3.397 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001208179365 813730999 /nfs/dbraw/zinc/73/09/99/813730999.db2.gz XXJDMGQNKLOSQQ-DOTOQJQBSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001208181536 813731804 /nfs/dbraw/zinc/73/18/04/813731804.db2.gz NQWULJDCUSMCGK-BBWFWOEESA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001208181536 813731808 /nfs/dbraw/zinc/73/18/08/813731808.db2.gz NQWULJDCUSMCGK-BBWFWOEESA-N 2 1 262.441 3.006 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001208592921 813769334 /nfs/dbraw/zinc/76/93/34/813769334.db2.gz MFQAESOYPQDLNN-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001208604577 813771186 /nfs/dbraw/zinc/77/11/86/813771186.db2.gz QRANPMRIVAXIOH-LJQANCHMSA-N 2 1 286.463 3.283 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001208598601 813771492 /nfs/dbraw/zinc/77/14/92/813771492.db2.gz UKXCBQNFWVPXLL-OAHLLOKOSA-N 2 1 290.451 3.420 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608350 813773948 /nfs/dbraw/zinc/77/39/48/813773948.db2.gz HKOFYLSUDVOWGQ-LSDHHAIUSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608350 813773951 /nfs/dbraw/zinc/77/39/51/813773951.db2.gz HKOFYLSUDVOWGQ-LSDHHAIUSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608350 813773955 /nfs/dbraw/zinc/77/39/55/813773955.db2.gz HKOFYLSUDVOWGQ-LSDHHAIUSA-N 2 1 292.854 3.471 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001208612590 813775412 /nfs/dbraw/zinc/77/54/12/813775412.db2.gz CSNQGMSFBSNIIU-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001208612590 813775417 /nfs/dbraw/zinc/77/54/17/813775417.db2.gz CSNQGMSFBSNIIU-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001208612590 813775421 /nfs/dbraw/zinc/77/54/21/813775421.db2.gz CSNQGMSFBSNIIU-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001208612590 813775427 /nfs/dbraw/zinc/77/54/27/813775427.db2.gz CSNQGMSFBSNIIU-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208608619 813775942 /nfs/dbraw/zinc/77/59/42/813775942.db2.gz QYYNTJYFYBLDQO-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208608619 813775946 /nfs/dbraw/zinc/77/59/46/813775946.db2.gz QYYNTJYFYBLDQO-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208608619 813775948 /nfs/dbraw/zinc/77/59/48/813775948.db2.gz QYYNTJYFYBLDQO-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208608619 813775952 /nfs/dbraw/zinc/77/59/52/813775952.db2.gz QYYNTJYFYBLDQO-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP C[C@H](CC[N@H+](C)C1CC[NH+](C)CC1)CC(C)(C)C ZINC001208657305 813782222 /nfs/dbraw/zinc/78/22/22/813782222.db2.gz IKSWBODKFJLFHG-CQSZACIVSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H](CC[N@@H+](C)C1CC[NH+](C)CC1)CC(C)(C)C ZINC001208657305 813782225 /nfs/dbraw/zinc/78/22/25/813782225.db2.gz IKSWBODKFJLFHG-CQSZACIVSA-N 2 1 254.462 3.475 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCCC(C)C)CC1 ZINC001208733242 813821087 /nfs/dbraw/zinc/82/10/87/813821087.db2.gz RBWMTFKXCYWGNB-UHFFFAOYSA-N 2 1 275.440 3.365 20 0 CGADMP CC1CC([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941201 813907364 /nfs/dbraw/zinc/90/73/64/813907364.db2.gz JDPYNAWAMWDQNX-NXYGQSRBSA-N 2 1 272.436 3.239 20 0 CGADMP CC1CC([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941201 813907369 /nfs/dbraw/zinc/90/73/69/813907369.db2.gz JDPYNAWAMWDQNX-NXYGQSRBSA-N 2 1 272.436 3.239 20 0 CGADMP CC1CC([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941201 813907373 /nfs/dbraw/zinc/90/73/73/813907373.db2.gz JDPYNAWAMWDQNX-NXYGQSRBSA-N 2 1 272.436 3.239 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCc2cccs2)CC1 ZINC001209225136 813973313 /nfs/dbraw/zinc/97/33/13/813973313.db2.gz RUMVFWLYBGXGCJ-UHFFFAOYSA-N 2 1 280.481 3.343 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209426987 814027499 /nfs/dbraw/zinc/02/74/99/814027499.db2.gz NLVRNFVDLRZZKI-GSEOLPGOSA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209426987 814027502 /nfs/dbraw/zinc/02/75/02/814027502.db2.gz NLVRNFVDLRZZKI-GSEOLPGOSA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209426987 814027509 /nfs/dbraw/zinc/02/75/09/814027509.db2.gz NLVRNFVDLRZZKI-GSEOLPGOSA-N 2 1 298.474 3.486 20 0 CGADMP COc1cccc(CC[N@@H+](C)CCC[NH+]2CCCCC2)c1 ZINC001209451126 814048483 /nfs/dbraw/zinc/04/84/83/814048483.db2.gz UECRSDQCFYPSSP-UHFFFAOYSA-N 2 1 290.451 3.046 20 0 CGADMP CC[NH+](CC)Cc1ccc(-n2c[nH+]c3cccc(N)c32)cc1 ZINC001209823428 814154392 /nfs/dbraw/zinc/15/43/92/814154392.db2.gz FJYCGOMAKPVGMK-UHFFFAOYSA-N 2 1 294.402 3.450 20 0 CGADMP CC[C@@H]([NH3+])C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC001210267628 814372540 /nfs/dbraw/zinc/37/25/40/814372540.db2.gz QXKIXKVGOCPRJM-OAHLLOKOSA-N 2 1 266.816 3.257 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[NH2+]1 ZINC001210519766 814505526 /nfs/dbraw/zinc/50/55/26/814505526.db2.gz SCDNVXRBGLSMJH-OAHLLOKOSA-N 2 1 296.414 3.243 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[NH2+]1 ZINC001210519766 814505530 /nfs/dbraw/zinc/50/55/30/814505530.db2.gz SCDNVXRBGLSMJH-OAHLLOKOSA-N 2 1 296.414 3.243 20 0 CGADMP C[NH2+]CC1C[NH+](CC(C)(C)Sc2ccc(Cl)cc2)C1 ZINC001210542957 814517194 /nfs/dbraw/zinc/51/71/94/814517194.db2.gz DLELMMBIJZCJHK-UHFFFAOYSA-N 2 1 298.883 3.362 20 0 CGADMP Cc1c[nH]c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1C ZINC001222168190 816368485 /nfs/dbraw/zinc/36/84/85/816368485.db2.gz XAUWTYLRNNYLEI-GOSISDBHSA-N 2 1 289.467 3.377 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001222231840 816379696 /nfs/dbraw/zinc/37/96/96/816379696.db2.gz PVUXEJCWEJSQOE-BBWFWOEESA-N 2 1 262.441 3.197 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222278032 816393689 /nfs/dbraw/zinc/39/36/89/816393689.db2.gz WFURUKWGRMPOIT-BHYGNILZSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222278032 816393696 /nfs/dbraw/zinc/39/36/96/816393696.db2.gz WFURUKWGRMPOIT-BHYGNILZSA-N 2 1 290.838 3.271 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222309248 816403831 /nfs/dbraw/zinc/40/38/31/816403831.db2.gz OXESIVURSVQLFB-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222315406 816406371 /nfs/dbraw/zinc/40/63/71/816406371.db2.gz NFGUOLFYOCZLNH-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)cc1F ZINC001222320485 816408412 /nfs/dbraw/zinc/40/84/12/816408412.db2.gz IFDUQABUZDMMNY-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)cc1F ZINC001222320485 816408417 /nfs/dbraw/zinc/40/84/17/816408417.db2.gz IFDUQABUZDMMNY-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001222335561 816410528 /nfs/dbraw/zinc/41/05/28/816410528.db2.gz VHPCHKGZGGRNKX-UHFFFAOYSA-N 2 1 280.415 3.334 20 0 CGADMP CC/C=C\CCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385158 816425931 /nfs/dbraw/zinc/42/59/31/816425931.db2.gz GWJHCNQXKSSTCD-MJSXRHKHSA-N 2 1 250.430 3.341 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385158 816425936 /nfs/dbraw/zinc/42/59/36/816425936.db2.gz GWJHCNQXKSSTCD-MJSXRHKHSA-N 2 1 250.430 3.341 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1(C)C ZINC001222465574 816451518 /nfs/dbraw/zinc/45/15/18/816451518.db2.gz VGEWJQQLBJAMFL-NVXWUHKLSA-N 2 1 262.441 3.197 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1(C)C ZINC001222465574 816451523 /nfs/dbraw/zinc/45/15/23/816451523.db2.gz VGEWJQQLBJAMFL-NVXWUHKLSA-N 2 1 262.441 3.197 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615965 816478848 /nfs/dbraw/zinc/47/88/48/816478848.db2.gz UNWQVYAXXOOWKK-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614155 816479382 /nfs/dbraw/zinc/47/93/82/816479382.db2.gz AWOUYWHQOFVOES-IXDOHACOSA-N 2 1 264.457 3.443 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620048 816479556 /nfs/dbraw/zinc/47/95/56/816479556.db2.gz DUDLLKYKFDRMPF-DOTOQJQBSA-N 2 1 282.387 3.130 20 0 CGADMP C[NH+](C)CC[C@H](OC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001224703485 816858436 /nfs/dbraw/zinc/85/84/36/816858436.db2.gz TXFCEYWMFNCJCJ-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP C[NH+]1C(C)(C)CC(OC[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001224708025 816861216 /nfs/dbraw/zinc/86/12/16/816861216.db2.gz WBWOFCPNNPEQOK-AWEZNQCLSA-N 2 1 282.472 3.139 20 0 CGADMP CCCC[NH+](CCCC)CCCO[C@@H]1CCC[N@@H+](C)C1 ZINC001224756072 816874061 /nfs/dbraw/zinc/87/40/61/816874061.db2.gz UXLXWINLTTVQBK-QGZVFWFLSA-N 2 1 284.488 3.390 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786358 817464990 /nfs/dbraw/zinc/46/49/90/817464990.db2.gz ZVKSSHJSMBASCQ-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001231786451 818175531 /nfs/dbraw/zinc/17/55/31/818175531.db2.gz CHDDYQPWJPMMLO-UHFFFAOYSA-N 2 1 274.452 3.411 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001231786451 818175533 /nfs/dbraw/zinc/17/55/33/818175533.db2.gz CHDDYQPWJPMMLO-UHFFFAOYSA-N 2 1 274.452 3.411 20 0 CGADMP CC(C)c1ccccc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001231878507 818197738 /nfs/dbraw/zinc/19/77/38/818197738.db2.gz LKLVXALJPZKFMG-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001232144641 818264560 /nfs/dbraw/zinc/26/45/60/818264560.db2.gz MGCBVBSOMWFPKQ-OAHLLOKOSA-N 2 1 282.378 3.211 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001232144641 818264564 /nfs/dbraw/zinc/26/45/64/818264564.db2.gz MGCBVBSOMWFPKQ-OAHLLOKOSA-N 2 1 282.378 3.211 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001234990095 818970410 /nfs/dbraw/zinc/97/04/10/818970410.db2.gz BZGJSSTYHMDJNH-IBGZPJMESA-N 2 1 286.463 3.430 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC001235001077 818973787 /nfs/dbraw/zinc/97/37/87/818973787.db2.gz SEXLGCJVOLLJFB-QGZVFWFLSA-N 2 1 286.444 3.477 20 0 CGADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2cccccc1-2 ZINC001235002065 818974680 /nfs/dbraw/zinc/97/46/80/818974680.db2.gz WZBGGMVUTFVXIW-LJQANCHMSA-N 2 1 280.415 3.367 20 0 CGADMP c1ccc2c(c1)oc1ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc12 ZINC001235023381 818980877 /nfs/dbraw/zinc/98/08/77/818980877.db2.gz AFEVZSHXPWPMQJ-UHFFFAOYSA-N 2 1 292.382 3.381 20 0 CGADMP c1ccc2c(c1)oc1ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc12 ZINC001235023381 818980884 /nfs/dbraw/zinc/98/08/84/818980884.db2.gz AFEVZSHXPWPMQJ-UHFFFAOYSA-N 2 1 292.382 3.381 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026749 818982432 /nfs/dbraw/zinc/98/24/32/818982432.db2.gz QKTITIADXUCRAX-WMLDXEAASA-N 2 1 292.382 3.380 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033598 818985081 /nfs/dbraw/zinc/98/50/81/818985081.db2.gz ZRSDBXVMIVMPIY-SJORKVTESA-N 2 1 264.457 3.444 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042268 818988636 /nfs/dbraw/zinc/98/86/36/818988636.db2.gz XJDSRHCSIXQLIP-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)cc21 ZINC001235042956 818989968 /nfs/dbraw/zinc/98/99/68/818989968.db2.gz DCKUVDCLGBHNEP-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Cc1ccc(Cl)c(C[NH+]2CC3(C2)CC[NH2+]CC3)c1Cl ZINC001235094057 818999676 /nfs/dbraw/zinc/99/96/76/818999676.db2.gz XQMKILXEYLMHCH-UHFFFAOYSA-N 2 1 299.245 3.487 20 0 CGADMP C[C@H](CC[N@H+]1CCC12CC[NH2+]CC2)CC(C)(C)C ZINC001235103041 819002880 /nfs/dbraw/zinc/00/28/80/819002880.db2.gz QGVAZVOYPCXBTB-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC23CC[NH2+]CC3)CC1 ZINC001235140797 819014548 /nfs/dbraw/zinc/01/45/48/819014548.db2.gz NWKMUBQJWATQHV-HOTGVXAUSA-N 2 1 262.441 3.197 20 0 CGADMP CC/C=C\CC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152938 819017589 /nfs/dbraw/zinc/01/75/89/819017589.db2.gz PZVZZNFHBMJTPO-QGZUEGPWSA-N 2 1 250.430 3.197 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235151840 819018162 /nfs/dbraw/zinc/01/81/62/819018162.db2.gz CBLWUVCARNMEBK-KRWDZBQOSA-N 2 1 276.399 3.180 20 0 CGADMP C1=CC[C@@H](C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001235155938 819018404 /nfs/dbraw/zinc/01/84/04/819018404.db2.gz YTXCQUZYZCHEBY-WBVHZDCISA-N 2 1 262.441 3.197 20 0 CGADMP c1cc2cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)ccc2[nH]1 ZINC001235170343 819023413 /nfs/dbraw/zinc/02/34/13/819023413.db2.gz FOCDPKKQNGHCOT-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)ccc2[nH]1 ZINC001235170343 819023421 /nfs/dbraw/zinc/02/34/21/819023421.db2.gz FOCDPKKQNGHCOT-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1C ZINC001235173949 819024528 /nfs/dbraw/zinc/02/45/28/819024528.db2.gz RXAUKGQKNUZBPY-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1C ZINC001235173949 819024531 /nfs/dbraw/zinc/02/45/31/819024531.db2.gz RXAUKGQKNUZBPY-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001235175523 819024988 /nfs/dbraw/zinc/02/49/88/819024988.db2.gz XCHKSFTXDVXARA-AEFFLSMTSA-N 2 1 272.436 3.398 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCCC2)cc1 ZINC001235193893 819031823 /nfs/dbraw/zinc/03/18/23/819031823.db2.gz SAVNTZNSLGIMKF-IAGOWNOFSA-N 2 1 284.447 3.040 20 0 CGADMP c1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc2c1CCC2 ZINC001235191718 819031946 /nfs/dbraw/zinc/03/19/46/819031946.db2.gz WYXWXGHXCDKAGN-UHFFFAOYSA-N 2 1 284.447 3.283 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225918 819040273 /nfs/dbraw/zinc/04/02/73/819040273.db2.gz WGWKZSVLGRQEHK-IHRRRGAJSA-N 2 1 292.389 3.287 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2cccc(F)c2[nH]1 ZINC001235244119 819045897 /nfs/dbraw/zinc/04/58/97/819045897.db2.gz BKELUOMGNDWZIX-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2cccc(F)c2[nH]1 ZINC001235244119 819045904 /nfs/dbraw/zinc/04/59/04/819045904.db2.gz BKELUOMGNDWZIX-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP CC(C)(C)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247234 819048351 /nfs/dbraw/zinc/04/83/51/819048351.db2.gz BGNXWGRAWSVQQV-SJLPKXTDSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)(C)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247234 819048356 /nfs/dbraw/zinc/04/83/56/819048356.db2.gz BGNXWGRAWSVQQV-SJLPKXTDSA-N 2 1 272.436 3.254 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235256788 819053457 /nfs/dbraw/zinc/05/34/57/819053457.db2.gz TTWUNUWXNHWMTB-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235260983 819054666 /nfs/dbraw/zinc/05/46/66/819054666.db2.gz OQSZIKGRLXMBOI-LZQZEXGQSA-N 2 1 286.463 3.282 20 0 CGADMP Clc1cccc(Cl)c1CC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235338438 819070218 /nfs/dbraw/zinc/07/02/18/819070218.db2.gz AMEFSUIBFFLPTK-LLVKDONJSA-N 2 1 299.245 3.077 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)c1Cl ZINC001235339448 819071212 /nfs/dbraw/zinc/07/12/12/819071212.db2.gz GGMSPOZMIJPSAG-LLVKDONJSA-N 2 1 299.245 3.343 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235340578 819071715 /nfs/dbraw/zinc/07/17/15/819071715.db2.gz KRKKZCZRGGYHFI-QGZVFWFLSA-N 2 1 272.436 3.071 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCCc1ccccc1)C2 ZINC001235399396 819084146 /nfs/dbraw/zinc/08/41/46/819084146.db2.gz AYINTRYTRGQBOH-QZTJIDSGSA-N 2 1 290.426 3.033 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235403727 819086628 /nfs/dbraw/zinc/08/66/28/819086628.db2.gz LGPCBQZXGJXYIF-MSOLQXFVSA-N 2 1 290.426 3.334 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235403727 819086635 /nfs/dbraw/zinc/08/66/35/819086635.db2.gz LGPCBQZXGJXYIF-MSOLQXFVSA-N 2 1 290.426 3.334 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)CC2)cc1 ZINC001235427890 819094786 /nfs/dbraw/zinc/09/47/86/819094786.db2.gz UFNPQXGKPAFXLJ-ZWKOTPCHSA-N 2 1 298.474 3.430 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccccc1-c1ccc(F)cc1 ZINC001235435705 819099385 /nfs/dbraw/zinc/09/93/85/819099385.db2.gz VCQIWXSFNQZVDV-UHFFFAOYSA-N 2 1 272.367 3.273 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235435762 819099459 /nfs/dbraw/zinc/09/94/59/819099459.db2.gz XZMCEAJOXFQUHI-UHFFFAOYSA-N 2 1 272.367 3.273 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)CCCc1ccccc1 ZINC001235669840 819133831 /nfs/dbraw/zinc/13/38/31/819133831.db2.gz KXJAEPUIGBTFFE-HOCLYGCPSA-N 2 1 296.405 3.042 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)CCCc1ccccc1 ZINC001235669840 819133833 /nfs/dbraw/zinc/13/38/33/819133833.db2.gz KXJAEPUIGBTFFE-HOCLYGCPSA-N 2 1 296.405 3.042 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC001235676270 819136722 /nfs/dbraw/zinc/13/67/22/819136722.db2.gz QZXJDZKZSUXNQU-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP CC(C)(CC[N@H+]1CCCC2(C[NH2+]C2)C1)c1ccccc1 ZINC001235710791 819146928 /nfs/dbraw/zinc/14/69/28/819146928.db2.gz FEGFYYBIOKPHFI-UHFFFAOYSA-N 2 1 272.436 3.040 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001235711131 819147116 /nfs/dbraw/zinc/14/71/16/819147116.db2.gz JZMKVMYHVVEZQQ-UHFFFAOYSA-N 2 1 280.415 3.334 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(OC(F)F)c1 ZINC001235713454 819148992 /nfs/dbraw/zinc/14/89/92/819148992.db2.gz FAYAFOAFTSASIL-UHFFFAOYSA-N 2 1 298.377 3.110 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235713514 819149009 /nfs/dbraw/zinc/14/90/09/819149009.db2.gz CKCJJAKLUQUHNS-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP CCCc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235716458 819149671 /nfs/dbraw/zinc/14/96/71/819149671.db2.gz CTWYUGFKDFTDPQ-UHFFFAOYSA-N 2 1 274.452 3.461 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235715810 819149684 /nfs/dbraw/zinc/14/96/84/819149684.db2.gz XXERVDWBVWGMBU-UHFFFAOYSA-N 2 1 285.435 3.298 20 0 CGADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CCCC1 ZINC001235718554 819151783 /nfs/dbraw/zinc/15/17/83/819151783.db2.gz KFPVHCLUSJTUEO-UHFFFAOYSA-N 2 1 283.419 3.119 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(O)cc2ccccc21 ZINC001235717966 819152296 /nfs/dbraw/zinc/15/22/96/819152296.db2.gz PRFBYFMTAKJPKN-UHFFFAOYSA-N 2 1 298.430 3.367 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717969 819152354 /nfs/dbraw/zinc/15/23/54/819152354.db2.gz PUVZBRUNJRQIEC-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235724061 819153810 /nfs/dbraw/zinc/15/38/10/819153810.db2.gz AMJQEJRIUNASSX-HNNXBMFYSA-N 2 1 276.399 3.005 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001235749854 819160436 /nfs/dbraw/zinc/16/04/36/819160436.db2.gz LGLKJLUJKIZCOH-MRXNPFEDSA-N 2 1 282.387 3.260 20 0 CGADMP CC[N@@H+](Cc1cc(C)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001235764524 819163162 /nfs/dbraw/zinc/16/31/62/819163162.db2.gz IRJHBHPRTNCNTM-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)C1CC[NH2+]CC1 ZINC001235762283 819163479 /nfs/dbraw/zinc/16/34/79/819163479.db2.gz RHJVUILLXSESHN-UHFFFAOYSA-N 2 1 290.451 3.194 20 0 CGADMP CC[N@H+](Cc1ccccc1OC(C)(C)C)C1CC[NH2+]CC1 ZINC001235764926 819163806 /nfs/dbraw/zinc/16/38/06/819163806.db2.gz RJQFXXPXQMQZQO-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP CC[N@@H+](Cc1ccccc1OC(C)(C)C)C1CC[NH2+]CC1 ZINC001235764926 819163812 /nfs/dbraw/zinc/16/38/12/819163812.db2.gz RJQFXXPXQMQZQO-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)C[C@H]1CC[NH2+]C1 ZINC001235841980 819183231 /nfs/dbraw/zinc/18/32/31/819183231.db2.gz LCEPDILBZZWWLZ-NUVRTYOOSA-N 2 1 276.468 3.134 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910036 819218964 /nfs/dbraw/zinc/21/89/64/819218964.db2.gz OSXVVMNPTJHTKL-QLFBSQMISA-N 2 1 256.409 3.130 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910036 819218970 /nfs/dbraw/zinc/21/89/70/819218970.db2.gz OSXVVMNPTJHTKL-QLFBSQMISA-N 2 1 256.409 3.130 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1C(C)C ZINC001235925247 819224460 /nfs/dbraw/zinc/22/44/60/819224460.db2.gz MPUSIQSBINATBR-HNNXBMFYSA-N 2 1 276.424 3.132 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@H]2CC[NH3+])C1(C)C ZINC001235925260 819224557 /nfs/dbraw/zinc/22/45/57/819224557.db2.gz NUMWYZCEGBOSBQ-CABCVRRESA-N 2 1 250.430 3.182 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929264 819228158 /nfs/dbraw/zinc/22/81/58/819228158.db2.gz JTCOONSVGVPPCV-JGPFYOFESA-N 2 1 250.430 3.054 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001235935324 819230840 /nfs/dbraw/zinc/23/08/40/819230840.db2.gz SZZDPDFEYTUWKU-DOTOQJQBSA-N 2 1 276.399 3.147 20 0 CGADMP Fc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235949468 819240273 /nfs/dbraw/zinc/24/02/73/819240273.db2.gz MBQYMZKWRQXKMS-NVXWUHKLSA-N 2 1 276.399 3.147 20 0 CGADMP C[N@H+](Cc1ccc2cccccc1-2)C[C@@H]1CCC[NH2+]C1 ZINC001235956326 819244338 /nfs/dbraw/zinc/24/43/38/819244338.db2.gz CGHGIDBECZLRSC-OAHLLOKOSA-N 2 1 268.404 3.223 20 0 CGADMP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@H+](CCC2CCCC2)C3)cc1 ZINC001236013171 819275503 /nfs/dbraw/zinc/27/55/03/819275503.db2.gz ZSHBNVDAARJLBC-MOPGFXCFSA-N 2 1 284.447 3.040 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C1 ZINC001236066457 819298255 /nfs/dbraw/zinc/29/82/55/819298255.db2.gz JEIZUNWNZUUONJ-JKSUJKDBSA-N 2 1 284.488 3.149 20 0 CGADMP Clc1ccccc1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC001236071182 819300279 /nfs/dbraw/zinc/30/02/79/819300279.db2.gz FIFBGRVWAXLOCQ-CYBMUJFWSA-N 2 1 278.827 3.129 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236093200 819312501 /nfs/dbraw/zinc/31/25/01/819312501.db2.gz HDSGQCJNRRLDCM-KUHUBIRLSA-N 2 1 280.415 3.441 20 0 CGADMP Cc1c(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236093200 819312508 /nfs/dbraw/zinc/31/25/08/819312508.db2.gz HDSGQCJNRRLDCM-KUHUBIRLSA-N 2 1 280.415 3.441 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)CCC[NH2+]1 ZINC001236094823 819314480 /nfs/dbraw/zinc/31/44/80/819314480.db2.gz JWAPJCKKJYEJTG-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCC[NH2+]1 ZINC001236094823 819314485 /nfs/dbraw/zinc/31/44/85/819314485.db2.gz JWAPJCKKJYEJTG-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@H]1C[N@H+](Cc2cccc3c(F)cccc23)CCC[NH2+]1 ZINC001236100021 819317538 /nfs/dbraw/zinc/31/75/38/819317538.db2.gz AGSRTPDVNOZZNE-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3c(F)cccc23)CCC[NH2+]1 ZINC001236100021 819317541 /nfs/dbraw/zinc/31/75/41/819317541.db2.gz AGSRTPDVNOZZNE-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP CSc1ccccc1[C@H]1CCC[N@H+]1CCCC[NH3+] ZINC001236107700 819324471 /nfs/dbraw/zinc/32/44/71/819324471.db2.gz AJKDFBGGZISSAF-CQSZACIVSA-N 2 1 264.438 3.284 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC001236125306 819332738 /nfs/dbraw/zinc/33/27/38/819332738.db2.gz VXWZUPDLGUSQHW-DYVFJYSZSA-N 2 1 294.389 3.491 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236169827 819353969 /nfs/dbraw/zinc/35/39/69/819353969.db2.gz PMCAMFKBFPFIQJ-DLBZAZTESA-N 2 1 262.441 3.492 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236169827 819353972 /nfs/dbraw/zinc/35/39/72/819353972.db2.gz PMCAMFKBFPFIQJ-DLBZAZTESA-N 2 1 262.441 3.492 20 0 CGADMP CCC[N@@H+](Cc1cc(F)cc(OCC)c1)C1CC[NH2+]CC1 ZINC001236184364 819360221 /nfs/dbraw/zinc/36/02/21/819360221.db2.gz JJTQWDIFIKOVTN-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP CCC[N@@H+](CCCc1ccccc1F)C1CC[NH2+]CC1 ZINC001236180297 819360339 /nfs/dbraw/zinc/36/03/39/819360339.db2.gz GHMFCUOKMGXHEK-UHFFFAOYSA-N 2 1 278.415 3.222 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001236190345 819362673 /nfs/dbraw/zinc/36/26/73/819362673.db2.gz VZYYXGHBWREJGM-RDTXWAMCSA-N 2 1 283.419 3.304 20 0 CGADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)O1 ZINC001236194897 819363992 /nfs/dbraw/zinc/36/39/92/819363992.db2.gz XKLDISCZORJDAB-SUMWQHHRSA-N 2 1 299.418 3.029 20 0 CGADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)O1 ZINC001236194897 819363999 /nfs/dbraw/zinc/36/39/99/819363999.db2.gz XKLDISCZORJDAB-SUMWQHHRSA-N 2 1 299.418 3.029 20 0 CGADMP CCOc1ccc(C)cc1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236213406 819375434 /nfs/dbraw/zinc/37/54/34/819375434.db2.gz SFTUSBHFFTXSLU-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CCc1cccc2c(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c[nH]c21 ZINC001236213705 819377078 /nfs/dbraw/zinc/37/70/78/819377078.db2.gz BCYYJYBFTDIXQA-IRXDYDNUSA-N 2 1 285.435 3.432 20 0 CGADMP CCc1cccc2c(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c[nH]c21 ZINC001236213705 819377083 /nfs/dbraw/zinc/37/70/83/819377083.db2.gz BCYYJYBFTDIXQA-IRXDYDNUSA-N 2 1 285.435 3.432 20 0 CGADMP C[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216394 819379713 /nfs/dbraw/zinc/37/97/13/819379713.db2.gz KAXBGBSOUBHBBE-IRXDYDNUSA-N 2 1 258.409 3.266 20 0 CGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216394 819379716 /nfs/dbraw/zinc/37/97/16/819379716.db2.gz KAXBGBSOUBHBBE-IRXDYDNUSA-N 2 1 258.409 3.266 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c(Cl)c1 ZINC001236222583 819389366 /nfs/dbraw/zinc/38/93/66/819389366.db2.gz JHSBDKRUJUROEG-HDJSIYSDSA-N 2 1 296.842 3.440 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224873 819392147 /nfs/dbraw/zinc/39/21/47/819392147.db2.gz YQAOQNDUSBBYHF-JOCQHMNTSA-N 2 1 284.806 3.489 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314225 819421108 /nfs/dbraw/zinc/42/11/08/819421108.db2.gz LSVHUMHMAPVMPA-ZACQAIPSSA-N 2 1 264.457 3.300 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236349656 819431250 /nfs/dbraw/zinc/43/12/50/819431250.db2.gz AJWVPTIANXMYGM-AVGNSLFASA-N 2 1 280.378 3.414 20 0 CGADMP Fc1ccccc1C[N@H+](CC1CCC1)C1CC[NH2+]CC1 ZINC001236368022 819437832 /nfs/dbraw/zinc/43/78/32/819437832.db2.gz TUPJSOCDIDIGTD-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP Fc1ccccc1C[N@@H+](CC1CCC1)C1CC[NH2+]CC1 ZINC001236368022 819437835 /nfs/dbraw/zinc/43/78/35/819437835.db2.gz TUPJSOCDIDIGTD-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP C(C1CCCC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236369637 819439108 /nfs/dbraw/zinc/43/91/08/819439108.db2.gz BBFUYZZZQVEXNE-MRXNPFEDSA-N 2 1 264.457 3.421 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372677 819441590 /nfs/dbraw/zinc/44/15/90/819441590.db2.gz SHUAMVFGVRUYEW-WNRNVDISSA-N 2 1 288.479 3.443 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401580 819450790 /nfs/dbraw/zinc/45/07/90/819450790.db2.gz PGKFJCJFDZUGHV-HIFRSBDPSA-N 2 1 276.399 3.036 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236417048 819462346 /nfs/dbraw/zinc/46/23/46/819462346.db2.gz WPKCVJLTWYHFNB-HOTGVXAUSA-N 2 1 298.471 3.092 20 0 CGADMP C[NH+](C)Cc1cccc(-c2ccc(C[N@@H+](C)C3CC3)cn2)c1 ZINC001236419050 819465960 /nfs/dbraw/zinc/46/59/60/819465960.db2.gz ZWMWMJCGQASZMD-UHFFFAOYSA-N 2 1 295.430 3.404 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236433859 819477076 /nfs/dbraw/zinc/47/70/76/819477076.db2.gz IWRZLFSIGRZRKX-CABCVRRESA-N 2 1 256.409 3.132 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC001236434531 819477852 /nfs/dbraw/zinc/47/78/52/819477852.db2.gz MEEKARMDDIQPBN-LJQANCHMSA-N 2 1 298.405 3.191 20 0 CGADMP CC(C)[N@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468735 819490190 /nfs/dbraw/zinc/49/01/90/819490190.db2.gz LKHDSNMHGPMGQW-MRXNPFEDSA-N 2 1 271.408 3.130 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468735 819490191 /nfs/dbraw/zinc/49/01/91/819490191.db2.gz LKHDSNMHGPMGQW-MRXNPFEDSA-N 2 1 271.408 3.130 20 0 CGADMP COc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236472947 819493004 /nfs/dbraw/zinc/49/30/04/819493004.db2.gz FOMBYFNAMYWOLS-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP COc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236472947 819493007 /nfs/dbraw/zinc/49/30/07/819493007.db2.gz FOMBYFNAMYWOLS-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C[C@@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236510085 819507787 /nfs/dbraw/zinc/50/77/87/819507787.db2.gz YDQXVFSYFKMUTR-GJZGRUSLSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001236604371 819550330 /nfs/dbraw/zinc/55/03/30/819550330.db2.gz GNTLSNZWZUXTGA-UHFFFAOYSA-N 2 1 298.455 3.261 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236618156 819554156 /nfs/dbraw/zinc/55/41/56/819554156.db2.gz ZBZZGDXQLCKMPQ-KRWDZBQOSA-N 2 1 258.409 3.125 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681954 819569663 /nfs/dbraw/zinc/56/96/63/819569663.db2.gz MEVACOYTRLIGAM-BZZMCLGOSA-N 2 1 272.436 3.415 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4ccoc43)C2)CC1 ZINC001236735694 819586448 /nfs/dbraw/zinc/58/64/48/819586448.db2.gz ODMZIYCFDMJOLR-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1cccc2occc21 ZINC001236740416 819588797 /nfs/dbraw/zinc/58/87/97/819588797.db2.gz XHXJOSMTJCVAGA-UHFFFAOYSA-N 2 1 269.348 3.151 20 0 CGADMP CCC(CC)[N@@H+](CC1(C)CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781879 819593301 /nfs/dbraw/zinc/59/33/01/819593301.db2.gz ALSHTAIKYDDOOB-JCNLHEQBSA-N 3 1 295.515 3.137 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc12 ZINC001236818107 819605718 /nfs/dbraw/zinc/60/57/18/819605718.db2.gz GHVXZMJNNBGJLJ-SNRMKQJTSA-N 2 1 280.415 3.317 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)cc1Cl ZINC001236829534 819609989 /nfs/dbraw/zinc/60/99/89/819609989.db2.gz LDDATUXNHRGKRQ-ITDIGPHOSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)cc1Cl ZINC001236829534 819609991 /nfs/dbraw/zinc/60/99/91/819609991.db2.gz LDDATUXNHRGKRQ-ITDIGPHOSA-N 2 1 299.245 3.471 20 0 CGADMP CCC[N@H+](Cc1ccc2ccn(CC)c2c1)C[C@@H]1CC[NH2+]C1 ZINC001236834316 819613278 /nfs/dbraw/zinc/61/32/78/819613278.db2.gz HDSUOCNNOFAZPE-QGZVFWFLSA-N 2 1 299.462 3.483 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)c(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236834826 819615072 /nfs/dbraw/zinc/61/50/72/819615072.db2.gz INNSHGCGNMQWRT-MRXNPFEDSA-N 2 1 290.451 3.134 20 0 CGADMP CCC[N@@H+](Cc1csc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836826 819616839 /nfs/dbraw/zinc/61/68/39/819616839.db2.gz YIGJZYOYIKTGTB-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+](Cc1csc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836826 819616841 /nfs/dbraw/zinc/61/68/41/819616841.db2.gz YIGJZYOYIKTGTB-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP Cc1cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)ns1 ZINC001236976965 819639376 /nfs/dbraw/zinc/63/93/76/819639376.db2.gz SYXDWEWQCBGNOB-UHFFFAOYSA-N 2 1 293.480 3.053 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1OC(C)C ZINC001237080198 819662442 /nfs/dbraw/zinc/66/24/42/819662442.db2.gz DUHJJWCLONNNDE-SFHVURJKSA-N 2 1 290.451 3.343 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1OC(C)C ZINC001237080198 819662443 /nfs/dbraw/zinc/66/24/43/819662443.db2.gz DUHJJWCLONNNDE-SFHVURJKSA-N 2 1 290.451 3.343 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237081953 819662543 /nfs/dbraw/zinc/66/25/43/819662543.db2.gz ODNOPDSKCYPGBC-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](CC)CCC[NH+](C)C ZINC001237328978 819729325 /nfs/dbraw/zinc/72/93/25/819729325.db2.gz FXSUBQHGIJSMRZ-UHFFFAOYSA-N 2 1 262.441 3.331 20 0 CGADMP Clc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379368 819738045 /nfs/dbraw/zinc/73/80/45/819738045.db2.gz BBRCSKXOSQAGEG-NVXWUHKLSA-N 2 1 292.854 3.347 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379368 819738051 /nfs/dbraw/zinc/73/80/51/819738051.db2.gz BBRCSKXOSQAGEG-NVXWUHKLSA-N 2 1 292.854 3.347 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237394471 819742411 /nfs/dbraw/zinc/74/24/11/819742411.db2.gz VXGZRMPVLGYBGH-FUHWJXTLSA-N 2 1 270.420 3.138 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237393925 819742725 /nfs/dbraw/zinc/74/27/25/819742725.db2.gz UKPFNLGKDRIDHN-FUHWJXTLSA-N 2 1 295.430 3.117 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237393925 819742728 /nfs/dbraw/zinc/74/27/28/819742728.db2.gz UKPFNLGKDRIDHN-FUHWJXTLSA-N 2 1 295.430 3.117 20 0 CGADMP FC(F)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237404594 819745008 /nfs/dbraw/zinc/74/50/08/819745008.db2.gz NXSGHGHKMPKWIX-LSDHHAIUSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237404594 819745014 /nfs/dbraw/zinc/74/50/14/819745014.db2.gz NXSGHGHKMPKWIX-LSDHHAIUSA-N 2 1 280.362 3.198 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1C ZINC001237405755 819745947 /nfs/dbraw/zinc/74/59/47/819745947.db2.gz RSLXCGUKTSCETQ-SJLPKXTDSA-N 2 1 272.436 3.186 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237413954 819746886 /nfs/dbraw/zinc/74/68/86/819746886.db2.gz JYEBCOJXCIGBCM-WMZOPIPTSA-N 2 1 295.430 3.051 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237414408 819747444 /nfs/dbraw/zinc/74/74/44/819747444.db2.gz KQPRTDOJTSUKEJ-GDBMZVCRSA-N 2 1 286.444 3.475 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237418566 819749152 /nfs/dbraw/zinc/74/91/52/819749152.db2.gz YUXUVPGKYGRABX-GOEBONIOSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237418566 819749155 /nfs/dbraw/zinc/74/91/55/819749155.db2.gz YUXUVPGKYGRABX-GOEBONIOSA-N 2 1 278.827 3.222 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc4c(F)cccc34)C[C@H]2C1 ZINC001237527116 819772117 /nfs/dbraw/zinc/77/21/17/819772117.db2.gz VZUXVDOGGLWSCH-HZPDHXFCSA-N 2 1 298.405 3.362 20 0 CGADMP Cc1ccnc2cccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)c12 ZINC001237629531 819792460 /nfs/dbraw/zinc/79/24/60/819792460.db2.gz HTSXQVHPKAAYMT-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1cc(C)c(Cl)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001237702211 819812331 /nfs/dbraw/zinc/81/23/31/819812331.db2.gz PNKRVDCBTJQDBC-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1c(Cl)cccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001237733101 819823456 /nfs/dbraw/zinc/82/34/56/819823456.db2.gz AWUMOCKRMFJPFR-INIZCTEOSA-N 2 1 278.827 3.176 20 0 CGADMP Cc1c(Cl)cccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001237733101 819823465 /nfs/dbraw/zinc/82/34/65/819823465.db2.gz AWUMOCKRMFJPFR-INIZCTEOSA-N 2 1 278.827 3.176 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001237733101 819823472 /nfs/dbraw/zinc/82/34/72/819823472.db2.gz AWUMOCKRMFJPFR-INIZCTEOSA-N 2 1 278.827 3.176 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001237733101 819823480 /nfs/dbraw/zinc/82/34/80/819823480.db2.gz AWUMOCKRMFJPFR-INIZCTEOSA-N 2 1 278.827 3.176 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1C ZINC001237732896 819824768 /nfs/dbraw/zinc/82/47/68/819824768.db2.gz AIIOVAPCKBGLCJ-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1C ZINC001237732896 819824777 /nfs/dbraw/zinc/82/47/77/819824777.db2.gz AIIOVAPCKBGLCJ-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC[N@@H+]1C[C@H]2CN(Cc3cc(C)c(Cl)c(C)c3)C[C@H]2C1 ZINC001238094077 819930965 /nfs/dbraw/zinc/93/09/65/819930965.db2.gz VIHWVDLEMOERBK-IYBDPMFKSA-N 2 1 292.854 3.340 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)CCC[C@@H]1C ZINC001238103639 819932701 /nfs/dbraw/zinc/93/27/01/819932701.db2.gz NWMDYPNRKACZDY-KBPBESRZSA-N 2 1 257.381 3.202 20 0 CGADMP C[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)CCC[C@@H]1C ZINC001238103639 819932706 /nfs/dbraw/zinc/93/27/06/819932706.db2.gz NWMDYPNRKACZDY-KBPBESRZSA-N 2 1 257.381 3.202 20 0 CGADMP c1[nH+]cn2c1cccc2C[NH+]1CCC(c2ccccn2)CC1 ZINC001238114289 819939401 /nfs/dbraw/zinc/93/94/01/819939401.db2.gz QPNFCFXOEAADNE-UHFFFAOYSA-N 2 1 292.386 3.109 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1cccc(C(C)(C)[NH3+])c1 ZINC001241250186 821672655 /nfs/dbraw/zinc/67/26/55/821672655.db2.gz HCXRTNWBBXRUOR-UHFFFAOYSA-N 2 1 269.392 3.317 20 0 CGADMP C[N@@H+]1CC=C(c2ccccc2C[NH+]2CCCC2)CC1 ZINC001241320180 821730901 /nfs/dbraw/zinc/73/09/01/821730901.db2.gz VOSOELGHJCMTPX-UHFFFAOYSA-N 2 1 256.393 3.001 20 0 CGADMP CN(C)c1cc[nH+]c(C2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001241502274 821904854 /nfs/dbraw/zinc/90/48/54/821904854.db2.gz SDZPMCGJZFAQDX-UHFFFAOYSA-N 2 1 293.414 3.437 20 0 CGADMP CN(C)c1cc[nH+]c(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241502274 821904859 /nfs/dbraw/zinc/90/48/59/821904859.db2.gz SDZPMCGJZFAQDX-UHFFFAOYSA-N 2 1 293.414 3.437 20 0 CGADMP CCOC(=[NH2+])c1cccc(-c2ccc(C[NH3+])cc2)c1 ZINC001241915447 822214685 /nfs/dbraw/zinc/21/46/85/822214685.db2.gz XWMBAHHHYSGHMK-UHFFFAOYSA-N 2 1 254.333 3.174 20 0 CGADMP Clc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001242144645 822892818 /nfs/dbraw/zinc/89/28/18/822892818.db2.gz BXDXWBGFRVYTMK-UHFFFAOYSA-N 2 1 283.762 3.342 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495980 936406204 /nfs/dbraw/zinc/40/62/04/936406204.db2.gz UCPBBOKYIKQARK-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495980 936406207 /nfs/dbraw/zinc/40/62/07/936406207.db2.gz UCPBBOKYIKQARK-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1ccc(CC[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001343332617 936495538 /nfs/dbraw/zinc/49/55/38/936495538.db2.gz FVXLRXVMBMKBIA-IPMKNSEASA-N 2 1 286.463 3.200 20 0 CGADMP C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346016993 936834337 /nfs/dbraw/zinc/83/43/37/936834337.db2.gz HRRKMKJHLCMZFE-IRXDYDNUSA-N 2 1 294.483 3.047 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC001348516913 936924481 /nfs/dbraw/zinc/92/44/81/936924481.db2.gz XETKMDDBYLSLHD-SECBINFHSA-N 2 1 261.196 3.081 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)CC1CCCC1 ZINC001460694019 937540096 /nfs/dbraw/zinc/54/00/96/937540096.db2.gz TXKNATYQPJMRPP-SFHVURJKSA-N 2 1 296.499 3.126 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C)c1Cl ZINC001238088856 932693919 /nfs/dbraw/zinc/69/39/19/932693919.db2.gz LKAHVIPMRSOFAV-UHFFFAOYSA-N 2 1 268.832 3.340 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C)c1Cl ZINC001238088856 932693922 /nfs/dbraw/zinc/69/39/22/932693922.db2.gz LKAHVIPMRSOFAV-UHFFFAOYSA-N 2 1 268.832 3.340 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001462215744 937625673 /nfs/dbraw/zinc/62/56/73/937625673.db2.gz BFNAPUOAQHFTJO-WMZOPIPTSA-N 2 1 274.452 3.390 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001462215744 937625676 /nfs/dbraw/zinc/62/56/76/937625676.db2.gz BFNAPUOAQHFTJO-WMZOPIPTSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC[NH+](C)C ZINC000352873745 932729989 /nfs/dbraw/zinc/72/99/89/932729989.db2.gz GYJFPGFTUAKTLQ-CYBMUJFWSA-N 2 1 268.832 3.155 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001462326192 937632742 /nfs/dbraw/zinc/63/27/42/937632742.db2.gz JMUTZPDAOMLQIE-IAGOWNOFSA-N 2 1 286.463 3.113 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CC[C@@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC001307978471 933028768 /nfs/dbraw/zinc/02/87/68/933028768.db2.gz PEUJWLWNTUILRH-YSIASYRMSA-N 2 1 298.474 3.380 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CC[C@@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC001307978471 933028772 /nfs/dbraw/zinc/02/87/72/933028772.db2.gz PEUJWLWNTUILRH-YSIASYRMSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CC[C@@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC001307978471 933028780 /nfs/dbraw/zinc/02/87/80/933028780.db2.gz PEUJWLWNTUILRH-YSIASYRMSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CC[C@@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC001307978471 933028788 /nfs/dbraw/zinc/02/87/88/933028788.db2.gz PEUJWLWNTUILRH-YSIASYRMSA-N 2 1 298.474 3.380 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001308092083 933048734 /nfs/dbraw/zinc/04/87/34/933048734.db2.gz FFLNPCPRTFLMBU-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001308202506 933072907 /nfs/dbraw/zinc/07/29/07/933072907.db2.gz FMVMOMPCQZMISC-SQNIBIBYSA-N 2 1 296.499 3.290 20 0 CGADMP CC[N@H+](CC[NH2+]C1CCC2(CCC2)CC1)C(C)C ZINC001308240113 933078655 /nfs/dbraw/zinc/07/86/55/933078655.db2.gz MNAJQGDKZYLCSG-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](CC[NH2+]C1CCC2(CCC2)CC1)C(C)C ZINC001308240113 933078657 /nfs/dbraw/zinc/07/86/57/933078657.db2.gz MNAJQGDKZYLCSG-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCc1cccc(Cl)c1 ZINC001308815939 933182949 /nfs/dbraw/zinc/18/29/49/933182949.db2.gz SKFWABORWCZYAL-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]CCc1cccc(Cl)c1 ZINC001308815939 933182950 /nfs/dbraw/zinc/18/29/50/933182950.db2.gz SKFWABORWCZYAL-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[C@@H]2C1 ZINC001308985247 933223535 /nfs/dbraw/zinc/22/35/35/933223535.db2.gz YQKWLMBMUYYLNK-ZKZVPCBQSA-N 2 1 276.468 3.275 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001319282515 933851939 /nfs/dbraw/zinc/85/19/39/933851939.db2.gz MSCOBGOPJKFKTN-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(=C4CCC4)CC3)[C@@H]2C1 ZINC001474757061 934177164 /nfs/dbraw/zinc/17/71/64/934177164.db2.gz PCMZIEGVHKXSFZ-JQHSSLGASA-N 2 1 274.452 3.339 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001321409820 934182417 /nfs/dbraw/zinc/18/24/17/934182417.db2.gz DVOXXYVYVKNPMY-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001321409820 934182427 /nfs/dbraw/zinc/18/24/27/934182427.db2.gz DVOXXYVYVKNPMY-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC001322626335 934321526 /nfs/dbraw/zinc/32/15/26/934321526.db2.gz OMOKXFAZSYZWAA-CLRIEMFWSA-N 2 1 274.399 3.273 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2(C)CC2)cc1 ZINC001323506378 934402532 /nfs/dbraw/zinc/40/25/32/934402532.db2.gz WDKOMLAGZVNLDA-GFCCVEGCSA-N 2 1 255.365 3.384 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001323960253 934442281 /nfs/dbraw/zinc/44/22/81/934442281.db2.gz OVRJFHUXHFXDBC-ZIAGYGMSSA-N 2 1 281.403 3.002 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001473111463 937792654 /nfs/dbraw/zinc/79/26/54/937792654.db2.gz DSBWVZGWFWIWLH-QGZVFWFLSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@@H](O)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001473303445 937801095 /nfs/dbraw/zinc/80/10/95/937801095.db2.gz PMABZFCSEUBRMA-GOSISDBHSA-N 2 1 298.515 3.227 20 0 CGADMP COc1ccc(Cl)cc1CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC001325743836 934926085 /nfs/dbraw/zinc/92/60/85/934926085.db2.gz QFBJAACIPUYPHE-WFASDCNBSA-N 2 1 296.842 3.011 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC001326158329 934954388 /nfs/dbraw/zinc/95/43/88/934954388.db2.gz ATYPCISRBNPRJY-GXTWGEPZSA-N 2 1 298.390 3.341 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326276468 934964986 /nfs/dbraw/zinc/96/49/86/934964986.db2.gz AZBBUXHZIPGRNN-ZDUSSCGKSA-N 2 1 294.389 3.491 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC001473689792 937817494 /nfs/dbraw/zinc/81/74/94/937817494.db2.gz OGNXCXMMIBUKJN-OIISXLGYSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC001473689792 937817495 /nfs/dbraw/zinc/81/74/95/937817495.db2.gz OGNXCXMMIBUKJN-OIISXLGYSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC001473689792 937817497 /nfs/dbraw/zinc/81/74/97/937817497.db2.gz OGNXCXMMIBUKJN-OIISXLGYSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC001473689792 937817499 /nfs/dbraw/zinc/81/74/99/937817499.db2.gz OGNXCXMMIBUKJN-OIISXLGYSA-N 2 1 266.473 3.332 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC001329024852 935179044 /nfs/dbraw/zinc/17/90/44/935179044.db2.gz VRYQXRXTSMDLDI-KXBFYZLASA-N 2 1 298.430 3.372 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001329364100 935208347 /nfs/dbraw/zinc/20/83/47/935208347.db2.gz PIMWRFJCULZCBM-YOEHRIQHSA-N 2 1 281.403 3.074 20 0 CGADMP c1[nH+]c2n(c1CNc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC001330282389 935282211 /nfs/dbraw/zinc/28/22/11/935282211.db2.gz DVFSROYSNZMTIA-UHFFFAOYSA-N 2 1 296.418 3.037 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C[C@H](OC)C2CCCCC2)CC1 ZINC001330545618 935295014 /nfs/dbraw/zinc/29/50/14/935295014.db2.gz XIYNCEYOEHBRRD-SFHVURJKSA-N 2 1 296.499 3.388 20 0 CGADMP Cc1[nH]c(CN(C)C(C)(C)C[NH+]2CCCCCC2)c(C)[nH+]1 ZINC001332902808 935496397 /nfs/dbraw/zinc/49/63/97/935496397.db2.gz QSAYKORWGZYELQ-UHFFFAOYSA-N 2 1 292.471 3.113 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC001333814029 936068318 /nfs/dbraw/zinc/06/83/18/936068318.db2.gz LRONUNXDLIYFRD-FUHWJXTLSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC001333814029 936068322 /nfs/dbraw/zinc/06/83/22/936068322.db2.gz LRONUNXDLIYFRD-FUHWJXTLSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC001333814029 936068326 /nfs/dbraw/zinc/06/83/26/936068326.db2.gz LRONUNXDLIYFRD-FUHWJXTLSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC001333814029 936068327 /nfs/dbraw/zinc/06/83/27/936068327.db2.gz LRONUNXDLIYFRD-FUHWJXTLSA-N 2 1 274.452 3.118 20 0 CGADMP CSc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001333841115 936071058 /nfs/dbraw/zinc/07/10/58/936071058.db2.gz KOVMLXLXADXWDQ-MELADBBJSA-N 2 1 294.464 3.164 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)C[C@@H]2C1 ZINC001333890542 936073630 /nfs/dbraw/zinc/07/36/30/936073630.db2.gz FEJOLQWLZWGBMT-BPQIPLTHSA-N 2 1 297.446 3.330 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001333891043 936074206 /nfs/dbraw/zinc/07/42/06/936074206.db2.gz IQEDZCYLZOROLV-BZSNNMDCSA-N 2 1 272.436 3.157 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001334157707 936088055 /nfs/dbraw/zinc/08/80/55/936088055.db2.gz VUTHEBRUFXUEIO-CQSZACIVSA-N 2 1 290.451 3.459 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC001334157707 936088059 /nfs/dbraw/zinc/08/80/59/936088059.db2.gz VUTHEBRUFXUEIO-CQSZACIVSA-N 2 1 290.451 3.459 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CCc3ccc(F)cc3)C2)CC1 ZINC001334287764 936095132 /nfs/dbraw/zinc/09/51/32/936095132.db2.gz PGCPOEXEWWWRDT-QGZVFWFLSA-N 2 1 290.426 3.032 20 0 CGADMP FC12C[C@@H]3C[C@H](C1)CC([NH2+][C@@H]1CC[N@H+]4CCC[C@@H]4C1)(C3)C2 ZINC001334326274 936097373 /nfs/dbraw/zinc/09/73/73/936097373.db2.gz AUGXLIIKBQEEMM-QRAYZCTNSA-N 2 1 292.442 3.264 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001334358197 936100015 /nfs/dbraw/zinc/10/00/15/936100015.db2.gz XKJJSNDGYHBDAQ-IWCQGFGOSA-N 2 1 292.492 3.341 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(F)(F)F)C[C@@H]1C ZINC001334871536 936119915 /nfs/dbraw/zinc/11/99/15/936119915.db2.gz BFFIQRYSJFLNIV-RYUDHWBXSA-N 2 1 266.351 3.134 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(F)(F)F)C[C@@H]1C ZINC001334871536 936119916 /nfs/dbraw/zinc/11/99/16/936119916.db2.gz BFFIQRYSJFLNIV-RYUDHWBXSA-N 2 1 266.351 3.134 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(F)(F)F)C[C@@H]1C ZINC001334871536 936119917 /nfs/dbraw/zinc/11/99/17/936119917.db2.gz BFFIQRYSJFLNIV-RYUDHWBXSA-N 2 1 266.351 3.134 20 0 CGADMP CS[C@H]1CC[C@H]([N@@H+](C)CCCCn2ccnc2C)C1 ZINC001335286890 936137163 /nfs/dbraw/zinc/13/71/63/936137163.db2.gz TVLXIUHVKSLWGB-GJZGRUSLSA-N 2 1 281.469 3.188 20 0 CGADMP CS[C@H]1CC[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC001335286890 936137166 /nfs/dbraw/zinc/13/71/66/936137166.db2.gz TVLXIUHVKSLWGB-GJZGRUSLSA-N 2 1 281.469 3.188 20 0 CGADMP CS[C@H]1CC[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC001335286890 936137168 /nfs/dbraw/zinc/13/71/68/936137168.db2.gz TVLXIUHVKSLWGB-GJZGRUSLSA-N 2 1 281.469 3.188 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001335584769 936153569 /nfs/dbraw/zinc/15/35/69/936153569.db2.gz YQQPHWRRKGEGAT-QILLFSRXSA-N 2 1 290.426 3.296 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc[nH+]cc2)cc1 ZINC001336391743 936191817 /nfs/dbraw/zinc/19/18/17/936191817.db2.gz LZLLAKWWMBRNFO-INIZCTEOSA-N 2 1 295.430 3.490 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cc(C)c(C)cc3o2)C1 ZINC001473939712 937831332 /nfs/dbraw/zinc/83/13/32/937831332.db2.gz UJQYRVDBEJPTBJ-OAHLLOKOSA-N 2 1 286.419 3.481 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3cc(C)c(C)cc3o2)C1 ZINC001473939712 937831334 /nfs/dbraw/zinc/83/13/34/937831334.db2.gz UJQYRVDBEJPTBJ-OAHLLOKOSA-N 2 1 286.419 3.481 20 0 CGADMP CC(C)[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1cccnc1 ZINC001474039516 937837134 /nfs/dbraw/zinc/83/71/34/937837134.db2.gz GFEYOYTUJJAJSC-KRWDZBQOSA-N 2 1 298.434 3.072 20 0 CGADMP CC(C)CSCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001474071918 937838866 /nfs/dbraw/zinc/83/88/66/937838866.db2.gz HSXZIBMUZFCALF-UHFFFAOYSA-N 2 1 281.469 3.017 20 0 CGADMP CCNc1ccccc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001474108664 937840550 /nfs/dbraw/zinc/84/05/50/937840550.db2.gz CRLAGBWFIPIWGI-INIZCTEOSA-N 2 1 289.467 3.473 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@@H](C)C[NH+](C)C)oc21 ZINC001474162297 937842418 /nfs/dbraw/zinc/84/24/18/937842418.db2.gz XRCDGMOXYFJQBY-CYBMUJFWSA-N 2 1 274.408 3.283 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC001474166381 937842420 /nfs/dbraw/zinc/84/24/20/937842420.db2.gz DULFCOWUYPSYKT-HNNXBMFYSA-N 2 1 274.452 3.252 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC001474166381 937842421 /nfs/dbraw/zinc/84/24/21/937842421.db2.gz DULFCOWUYPSYKT-HNNXBMFYSA-N 2 1 274.452 3.252 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]2CCCC[C@H]12 ZINC001474382583 937855935 /nfs/dbraw/zinc/85/59/35/937855935.db2.gz FOPLDSPDTKRVGZ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP CCCOC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001474504003 937864041 /nfs/dbraw/zinc/86/40/41/937864041.db2.gz YHUJEFRHLGZVPB-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC001549546945 938157994 /nfs/dbraw/zinc/15/79/94/938157994.db2.gz OIMODYGOQWPZMI-SIXLDLHFSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC001549546945 938157995 /nfs/dbraw/zinc/15/79/95/938157995.db2.gz OIMODYGOQWPZMI-SIXLDLHFSA-N 2 1 272.436 3.251 20 0 CGADMP [NH3+][C@H]1CC[C@H](C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC001550348820 938165956 /nfs/dbraw/zinc/16/59/56/938165956.db2.gz HJUAEMNVYIIXON-YOEHRIQHSA-N 2 1 296.414 3.432 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001550543039 938167510 /nfs/dbraw/zinc/16/75/10/938167510.db2.gz DYHHWYGZDVQHBQ-LSDHHAIUSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001550543039 938167511 /nfs/dbraw/zinc/16/75/11/938167511.db2.gz DYHHWYGZDVQHBQ-LSDHHAIUSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001550543039 938167512 /nfs/dbraw/zinc/16/75/12/938167512.db2.gz DYHHWYGZDVQHBQ-LSDHHAIUSA-N 2 1 280.362 3.008 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540292 938167831 /nfs/dbraw/zinc/16/78/31/938167831.db2.gz BBJCPAFNSRIICQ-PBFPGSCMSA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540292 938167832 /nfs/dbraw/zinc/16/78/32/938167832.db2.gz BBJCPAFNSRIICQ-PBFPGSCMSA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540292 938167833 /nfs/dbraw/zinc/16/78/33/938167833.db2.gz BBJCPAFNSRIICQ-PBFPGSCMSA-N 2 1 294.389 3.299 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001552414017 938192086 /nfs/dbraw/zinc/19/20/86/938192086.db2.gz APHZOXYITAKKNB-UHOSZYNNSA-N 2 1 284.447 3.256 20 0 CGADMP Cc1ccccc1C1([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC001559937150 938239203 /nfs/dbraw/zinc/23/92/03/938239203.db2.gz VMDPIGKXXBLVME-UHFFFAOYSA-N 2 1 272.436 3.450 20 0 CGADMP CCc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC001560238052 938248631 /nfs/dbraw/zinc/24/86/31/938248631.db2.gz IJOKIDQOEZMPFC-GOSISDBHSA-N 2 1 272.436 3.091 20 0 CGADMP CCc1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC001560238052 938248632 /nfs/dbraw/zinc/24/86/32/938248632.db2.gz IJOKIDQOEZMPFC-GOSISDBHSA-N 2 1 272.436 3.091 20 0 CGADMP CCc1ccc2c(c1)CC[NH+](CC[C@H]1CCC[N@@H+]1C)C2 ZINC001560238052 938248633 /nfs/dbraw/zinc/24/86/33/938248633.db2.gz IJOKIDQOEZMPFC-GOSISDBHSA-N 2 1 272.436 3.091 20 0 CGADMP CCc1ccc2c(c1)CC[NH+](CC[C@H]1CCC[N@H+]1C)C2 ZINC001560238052 938248634 /nfs/dbraw/zinc/24/86/34/938248634.db2.gz IJOKIDQOEZMPFC-GOSISDBHSA-N 2 1 272.436 3.091 20 0 CGADMP C[C@@H](C[NH2+]CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC001560268040 938250226 /nfs/dbraw/zinc/25/02/26/938250226.db2.gz RLMTVKGAUSUVHK-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](C[NH2+]CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC001560268040 938250227 /nfs/dbraw/zinc/25/02/27/938250227.db2.gz RLMTVKGAUSUVHK-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001560361113 938255152 /nfs/dbraw/zinc/25/51/52/938255152.db2.gz KEIXWVIYLRYOAY-CTMQZQKCSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC[N@H+]1C ZINC001560361113 938255153 /nfs/dbraw/zinc/25/51/53/938255153.db2.gz KEIXWVIYLRYOAY-CTMQZQKCSA-N 2 1 294.483 3.187 20 0 CGADMP C([NH2+]C1CCCC1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001560562353 938263133 /nfs/dbraw/zinc/26/31/33/938263133.db2.gz SVDAMNGPFTZRRJ-INIZCTEOSA-N 2 1 250.430 3.316 20 0 CGADMP C([NH2+]C1CCCC1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001560562353 938263134 /nfs/dbraw/zinc/26/31/34/938263134.db2.gz SVDAMNGPFTZRRJ-INIZCTEOSA-N 2 1 250.430 3.316 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2ccc(F)c(F)c2)CC1 ZINC001560758341 938274362 /nfs/dbraw/zinc/27/43/62/938274362.db2.gz VMPMJZYUCIBPDF-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP CCO[C@@H](C[NH2+][C@H]1CCCCC12CCCC2)C[NH+](C)C ZINC001561002026 938288789 /nfs/dbraw/zinc/28/87/89/938288789.db2.gz MSFKJZHILLDNKD-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC001561055792 938292635 /nfs/dbraw/zinc/29/26/35/938292635.db2.gz XYUPSDPHKHRSPP-LBPRGKRZSA-N 2 1 283.847 3.253 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001575421685 962373351 /nfs/dbraw/zinc/37/33/51/962373351.db2.gz BFSGHMRMYBLRJC-HUUCEWRRSA-N 2 1 280.843 3.360 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC001575422216 962381909 /nfs/dbraw/zinc/38/19/09/962381909.db2.gz FWPMIJPVWSDCPT-SJORKVTESA-N 2 1 275.440 3.230 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC001575655480 962409652 /nfs/dbraw/zinc/40/96/52/962409652.db2.gz LLFJGHMTMGNOEX-PBHICJAKSA-N 2 1 260.425 3.197 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C2CC2)c(C2CC2)c1)[C@H](C)[NH3+] ZINC001576104530 962441281 /nfs/dbraw/zinc/44/12/81/962441281.db2.gz ZZOLMBYMYLKNIG-NWDGAFQWSA-N 2 1 258.409 3.267 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001576300268 962449500 /nfs/dbraw/zinc/44/95/00/962449500.db2.gz CRMUWRHRXFEUGS-GLQYFDAESA-N 2 1 298.352 3.308 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC001576435229 962454662 /nfs/dbraw/zinc/45/46/62/962454662.db2.gz SQYCHPNWEIONHF-LSDHHAIUSA-N 2 1 252.446 3.406 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001576435010 962455772 /nfs/dbraw/zinc/45/57/72/962455772.db2.gz NWHFNFRLVLFRTA-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC001576458041 962467263 /nfs/dbraw/zinc/46/72/63/962467263.db2.gz VXWXWRIZVDZCGI-OUCADQQQSA-N 2 1 264.438 3.258 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001576635934 962479031 /nfs/dbraw/zinc/47/90/31/962479031.db2.gz GARGPRPVRBUSQR-HHARLNAUSA-N 2 1 264.457 3.405 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[NH2+]1 ZINC001576669875 962482864 /nfs/dbraw/zinc/48/28/64/962482864.db2.gz BITLNMUDZDEVQA-UIBBOPPKSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCC2)C1 ZINC001576849421 962489748 /nfs/dbraw/zinc/48/97/48/962489748.db2.gz FUEYMSGPFYGKMQ-CZUORRHYSA-N 2 1 292.854 3.349 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC2(C[NH3+])CCC2)C1(CC)CC ZINC001578087223 962565097 /nfs/dbraw/zinc/56/50/97/962565097.db2.gz GJRFGQKSJRPPHO-HUUCEWRRSA-N 2 1 282.472 3.031 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001578486541 962591246 /nfs/dbraw/zinc/59/12/46/962591246.db2.gz PISIWLGYYANFRS-BZZMCLGOSA-N 2 1 272.436 3.382 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CCCCC1 ZINC001578909324 962599421 /nfs/dbraw/zinc/59/94/21/962599421.db2.gz VDWMMNGMTNZCBY-BHYGNILZSA-N 2 1 282.472 3.031 20 0 CGADMP COCC[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC001579005797 962608022 /nfs/dbraw/zinc/60/80/22/962608022.db2.gz YVMZABAMAKBKIS-IRXDYDNUSA-N 2 1 278.440 3.069 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(F)cc1Cl ZINC001579485760 962628582 /nfs/dbraw/zinc/62/85/82/962628582.db2.gz NLFWCOXGWKQJJC-CUOATXAZSA-N 2 1 282.790 3.400 20 0 CGADMP Cc1ccc(F)cc1C[NH2+][C@]1(C[NH3+])CCCC[C@H]1C ZINC001579708404 962665380 /nfs/dbraw/zinc/66/53/80/962665380.db2.gz QVKUVFXMALHDSI-CJNGLKHVSA-N 2 1 264.388 3.131 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(C)(C)C[NH3+])C1 ZINC001579795341 962667902 /nfs/dbraw/zinc/66/79/02/962667902.db2.gz NSSXIDWGEQSCJJ-LSDHHAIUSA-N 2 1 260.425 3.158 20 0 CGADMP Cc1ccccc1C[N@H+](Cc1cccnc1)CC(C)(C)C[NH3+] ZINC001579800224 962679009 /nfs/dbraw/zinc/67/90/09/962679009.db2.gz NYGQFIJCBHGJHT-UHFFFAOYSA-N 2 1 297.446 3.377 20 0 CGADMP Cc1ccccc1C[N@@H+](Cc1cccnc1)CC(C)(C)C[NH3+] ZINC001579800224 962679020 /nfs/dbraw/zinc/67/90/20/962679020.db2.gz NYGQFIJCBHGJHT-UHFFFAOYSA-N 2 1 297.446 3.377 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OC2CCCC2)cc1)CC(F)F ZINC001580132940 962701542 /nfs/dbraw/zinc/70/15/42/962701542.db2.gz SDMDZDISBDQRTM-CYBMUJFWSA-N 2 1 298.377 3.080 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CC12CCC(CC1)C2)C1CCCCC1 ZINC001580229269 962704641 /nfs/dbraw/zinc/70/46/41/962704641.db2.gz LUABTMDYFAVPQC-OGVSOVDVSA-N 2 1 250.430 3.064 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001580337114 962712150 /nfs/dbraw/zinc/71/21/50/962712150.db2.gz KVVQRHSVONXZRH-QGZVFWFLSA-N 2 1 270.351 3.231 20 0 CGADMP [NH3+]CC[N@@H+](Cc1ccccc1)CC1CC2(CCC2)C1 ZINC001580310084 962714963 /nfs/dbraw/zinc/71/49/63/962714963.db2.gz DGNFOKMFGPMUQB-UHFFFAOYSA-N 2 1 258.409 3.028 20 0 CGADMP [NH3+]CC[N@H+](Cc1ccccc1)CC1CC2(CCC2)C1 ZINC001580310084 962714970 /nfs/dbraw/zinc/71/49/70/962714970.db2.gz DGNFOKMFGPMUQB-UHFFFAOYSA-N 2 1 258.409 3.028 20 0 CGADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001580331201 962720377 /nfs/dbraw/zinc/72/03/77/962720377.db2.gz GUFCZCXCODVBLF-ZOBUZTSGSA-N 2 1 258.409 3.199 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]2C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001580893000 962742226 /nfs/dbraw/zinc/74/22/26/962742226.db2.gz OXVODDQLZFCULN-SQNIBIBYSA-N 2 1 272.436 3.302 20 0 CGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC001580893208 962743894 /nfs/dbraw/zinc/74/38/94/962743894.db2.gz XMMCHECNAFLJEF-SQNIBIBYSA-N 2 1 270.420 3.213 20 0 CGADMP c1ccc([C@H]2CC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC001580892743 962745673 /nfs/dbraw/zinc/74/56/73/962745673.db2.gz FLAYSYRIFKJUJV-LJQANCHMSA-N 2 1 278.399 3.279 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000651228828 398219169 /nfs/dbraw/zinc/21/91/69/398219169.db2.gz ISUFFYZNDLEQHE-ZWKOTPCHSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)n1 ZINC000651492006 398253395 /nfs/dbraw/zinc/25/33/95/398253395.db2.gz OSZZZIBESWUWBB-CQSZACIVSA-N 2 1 275.440 3.223 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@]2(C)CC)C1 ZINC000651685975 398269265 /nfs/dbraw/zinc/26/92/65/398269265.db2.gz LFTHRPVHXGENLU-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337745643 214244289 /nfs/dbraw/zinc/24/42/89/214244289.db2.gz GFQFJLPLKPRGOY-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000651730670 398277271 /nfs/dbraw/zinc/27/72/71/398277271.db2.gz USMQXUAEMNMTSH-ROUUACIJSA-N 2 1 296.499 3.434 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c2ccccc12 ZINC000622004880 349620497 /nfs/dbraw/zinc/62/04/97/349620497.db2.gz WASAOIOPPDINSL-DNVCBOLYSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c2ccccc12 ZINC000622004880 349620500 /nfs/dbraw/zinc/62/05/00/349620500.db2.gz WASAOIOPPDINSL-DNVCBOLYSA-N 2 1 296.414 3.162 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCCCOc1ccccc1)C2 ZINC000622004288 349620998 /nfs/dbraw/zinc/62/09/98/349620998.db2.gz NAQAKPLVVRNOHR-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+]CCCn2cc[nH+]c2C)C1 ZINC000337946581 214325892 /nfs/dbraw/zinc/32/58/92/214325892.db2.gz OPXITPPAUIXRKC-CVEARBPZSA-N 2 1 263.429 3.388 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000651829499 398295492 /nfs/dbraw/zinc/29/54/92/398295492.db2.gz DQKSAUCOAIUTRL-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cccc3ccsc32)CC1 ZINC000651863074 398297314 /nfs/dbraw/zinc/29/73/14/398297314.db2.gz SPZKLPKTOYYUHK-UHFFFAOYSA-N 2 1 260.406 3.085 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000651866069 398299040 /nfs/dbraw/zinc/29/90/40/398299040.db2.gz SRCHMKDPPDHZTF-UHFFFAOYSA-N 2 1 281.469 3.088 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000651866069 398299042 /nfs/dbraw/zinc/29/90/42/398299042.db2.gz SRCHMKDPPDHZTF-UHFFFAOYSA-N 2 1 281.469 3.088 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1F ZINC000338011737 214358189 /nfs/dbraw/zinc/35/81/89/214358189.db2.gz OGYBEFUTFJMXOD-LBPRGKRZSA-N 2 1 291.370 3.080 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C1CCCCC1 ZINC000651909915 398304685 /nfs/dbraw/zinc/30/46/85/398304685.db2.gz ACIFYWFRNHYSSY-ZMSDIMECSA-N 2 1 282.472 3.187 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(CC)CC ZINC000338013988 214360739 /nfs/dbraw/zinc/36/07/39/214360739.db2.gz CRBHTWNZGSSWEP-HZPDHXFCSA-N 2 1 293.455 3.155 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)[C@H](C)C1 ZINC000651911712 398306143 /nfs/dbraw/zinc/30/61/43/398306143.db2.gz UDNLHSGTNIPCLT-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338016113 214361974 /nfs/dbraw/zinc/36/19/74/214361974.db2.gz ZQJKWNOATISLJI-HZPDHXFCSA-N 2 1 293.455 3.155 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000590786440 346875792 /nfs/dbraw/zinc/87/57/92/346875792.db2.gz XJTQAXYGNVMCMC-HNNXBMFYSA-N 2 1 275.440 3.195 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142528 192056518 /nfs/dbraw/zinc/05/65/18/192056518.db2.gz FHEAETDQJVKMCW-HOTGVXAUSA-N 2 1 290.451 3.304 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Cl)s1 ZINC000423263314 529611808 /nfs/dbraw/zinc/61/18/08/529611808.db2.gz AWAJWFSPGKHZJM-ZJUUUORDSA-N 2 1 260.834 3.426 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)[C@@H]1CC1(C)C ZINC000414076376 529610702 /nfs/dbraw/zinc/61/07/02/529610702.db2.gz OQNYFNDESNIIHY-SNPRPXQTSA-N 2 1 263.429 3.242 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1C[C@@H]1C ZINC000414087278 529613495 /nfs/dbraw/zinc/61/34/95/529613495.db2.gz ABFCHZDAADHJPS-QAETUUGQSA-N 2 1 266.473 3.379 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)s2)CC1(C)C ZINC000623360640 349788869 /nfs/dbraw/zinc/78/88/69/349788869.db2.gz RZTDBKXDHKNGBR-LLVKDONJSA-N 2 1 286.872 3.406 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000350893318 219069224 /nfs/dbraw/zinc/06/92/24/219069224.db2.gz GEOMNLJIHFQLTE-DLBZAZTESA-N 2 1 294.483 3.047 20 0 CGADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CC1(C)C ZINC000418100565 529637304 /nfs/dbraw/zinc/63/73/04/529637304.db2.gz DQRWKTNBABPKPJ-OLZOCXBDSA-N 2 1 281.469 3.119 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371643 349792740 /nfs/dbraw/zinc/79/27/40/349792740.db2.gz LYYSXIOSWOPBGQ-OCCSQVGLSA-N 2 1 266.454 3.142 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423336212 529665087 /nfs/dbraw/zinc/66/50/87/529665087.db2.gz UDKXYVGGEGALJB-PXAZEXFGSA-N 2 1 272.392 3.236 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(F)c1 ZINC000423494251 529668517 /nfs/dbraw/zinc/66/85/17/529668517.db2.gz AIYKFRSPSLEBEE-JKSUJKDBSA-N 2 1 264.388 3.384 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423279878 290035586 /nfs/dbraw/zinc/03/55/86/290035586.db2.gz RXVADLLAJZCGPB-TVQRCGJNSA-N 2 1 272.314 3.093 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623381957 349795067 /nfs/dbraw/zinc/79/50/67/349795067.db2.gz QEHBVBCLJTXWNC-NVXWUHKLSA-N 2 1 272.436 3.445 20 0 CGADMP C[N@H+]1CC[C@@H](NCc2cc(-c3ccccc3)on2)CC1(C)C ZINC000623394403 349797615 /nfs/dbraw/zinc/79/76/15/349797615.db2.gz DEUXKZQKIUIDQV-OAHLLOKOSA-N 2 1 299.418 3.304 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)CC1(C)C ZINC000623405647 349800708 /nfs/dbraw/zinc/80/07/08/349800708.db2.gz SCCKERBPEXFRHT-AQFXKWCLSA-N 2 1 272.436 3.395 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H]1OC ZINC000623452597 349812635 /nfs/dbraw/zinc/81/26/35/349812635.db2.gz JCLUFZFVCLAXQW-RBSFLKMASA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000358336037 282273243 /nfs/dbraw/zinc/27/32/43/282273243.db2.gz BLENGVRJKKHEMO-IKGGRYGDSA-N 2 1 282.472 3.044 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]CC([NH3+])(CC)CC)CCC2 ZINC000423283205 529747901 /nfs/dbraw/zinc/74/79/01/529747901.db2.gz DXDLWNJGXLMLHB-LLVKDONJSA-N 2 1 281.469 3.190 20 0 CGADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC(C)CC1 ZINC000623511339 349824237 /nfs/dbraw/zinc/82/42/37/349824237.db2.gz LBRSKLZBHJCDAH-CKDBGZEDSA-N 2 1 282.472 3.044 20 0 CGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000623496073 349820191 /nfs/dbraw/zinc/82/01/91/349820191.db2.gz GEIORTFDQZQDDT-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)CC1(C)C ZINC000623565424 349836654 /nfs/dbraw/zinc/83/66/54/349836654.db2.gz MPEXAQUUMILBFH-BFYDXBDKSA-N 2 1 288.435 3.059 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623570442 349838062 /nfs/dbraw/zinc/83/80/62/349838062.db2.gz SHGJZBHFEPPKMA-IKICRFKJSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623570442 349838067 /nfs/dbraw/zinc/83/80/67/349838067.db2.gz SHGJZBHFEPPKMA-IKICRFKJSA-N 2 1 276.468 3.418 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000368351123 529811687 /nfs/dbraw/zinc/81/16/87/529811687.db2.gz BAZDTUJDKNIRSY-YATRRXNKSA-N 2 1 290.838 3.381 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000368351123 529811688 /nfs/dbraw/zinc/81/16/88/529811688.db2.gz BAZDTUJDKNIRSY-YATRRXNKSA-N 2 1 290.838 3.381 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000368351123 529811690 /nfs/dbraw/zinc/81/16/90/529811690.db2.gz BAZDTUJDKNIRSY-YATRRXNKSA-N 2 1 290.838 3.381 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000368351123 529811691 /nfs/dbraw/zinc/81/16/91/529811691.db2.gz BAZDTUJDKNIRSY-YATRRXNKSA-N 2 1 290.838 3.381 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000623656369 349858747 /nfs/dbraw/zinc/85/87/47/349858747.db2.gz SSLSUKVECZEBDJ-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128121222 187352762 /nfs/dbraw/zinc/35/27/62/187352762.db2.gz CQWVOHZCQYNDEC-FGTMMUONSA-N 2 1 284.447 3.323 20 0 CGADMP C[NH2+]CC[NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000423250156 529978976 /nfs/dbraw/zinc/97/89/76/529978976.db2.gz TUQSDUKQLDQLEQ-CYBMUJFWSA-N 2 1 284.831 3.005 20 0 CGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000411170896 529993478 /nfs/dbraw/zinc/99/34/78/529993478.db2.gz CNJVXQNRQWBKAQ-UHFFFAOYSA-N 2 1 258.409 3.267 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000423284384 529999694 /nfs/dbraw/zinc/99/96/94/529999694.db2.gz YILBBZZAZWDIBG-DZGCQCFKSA-N 2 1 252.402 3.202 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCCCO1 ZINC000623957647 349928025 /nfs/dbraw/zinc/92/80/25/349928025.db2.gz PMJIANQKIKRRQG-LHHMISFZSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCOCc2ccccc2)CC[N@H+]1C ZINC000127442395 187306812 /nfs/dbraw/zinc/30/68/12/187306812.db2.gz IKAWKCOATQZPGH-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000086906254 345751557 /nfs/dbraw/zinc/75/15/57/345751557.db2.gz PXVXGDVRSOEWLC-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000090972585 345799158 /nfs/dbraw/zinc/79/91/58/345799158.db2.gz FGGTVHZMAVJIMX-QZTJIDSGSA-N 2 1 284.447 3.008 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964094 345799199 /nfs/dbraw/zinc/79/91/99/345799199.db2.gz PATYQPRJYZELIN-OAUYIBNBSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964094 345799203 /nfs/dbraw/zinc/79/92/03/345799203.db2.gz PATYQPRJYZELIN-OAUYIBNBSA-N 2 1 276.399 3.133 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2C)C[C@@H]1C ZINC000351643463 219160506 /nfs/dbraw/zinc/16/05/06/219160506.db2.gz DKNRGKLLUOROMV-SWLSCSKDSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2C)C[C@@H]1C ZINC000351643463 219160507 /nfs/dbraw/zinc/16/05/07/219160507.db2.gz DKNRGKLLUOROMV-SWLSCSKDSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C)C[C@@H]1C ZINC000351643463 219160504 /nfs/dbraw/zinc/16/05/04/219160504.db2.gz DKNRGKLLUOROMV-SWLSCSKDSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C)C[C@@H]1C ZINC000351643463 219160505 /nfs/dbraw/zinc/16/05/05/219160505.db2.gz DKNRGKLLUOROMV-SWLSCSKDSA-N 2 1 266.454 3.361 20 0 CGADMP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC1CCCCCC1 ZINC000119059474 345991698 /nfs/dbraw/zinc/99/16/98/345991698.db2.gz SGSUWXLVIHELMC-KRWDZBQOSA-N 2 1 294.483 3.144 20 0 CGADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC1CCCCCC1 ZINC000119059474 345991701 /nfs/dbraw/zinc/99/17/01/345991701.db2.gz SGSUWXLVIHELMC-KRWDZBQOSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCOC2CCCCCC2)CC[N@@H+]1C ZINC000123677261 346010343 /nfs/dbraw/zinc/01/03/43/346010343.db2.gz ACQRSOHOLWKETF-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCOC2CCCCCC2)CC[N@H+]1C ZINC000123677261 346010347 /nfs/dbraw/zinc/01/03/47/346010347.db2.gz ACQRSOHOLWKETF-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCOC2CCCCCC2)CC[NH+]1C ZINC000123677261 346010350 /nfs/dbraw/zinc/01/03/50/346010350.db2.gz ACQRSOHOLWKETF-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCOC2CCCCCC2)CC[NH+]1C ZINC000123677261 346010353 /nfs/dbraw/zinc/01/03/53/346010353.db2.gz ACQRSOHOLWKETF-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1C(C)C ZINC000129068279 346046406 /nfs/dbraw/zinc/04/64/06/346046406.db2.gz XJPZKNNDUGQOPQ-HOTGVXAUSA-N 2 1 290.451 3.309 20 0 CGADMP CC[C@H](C)[NH2+][C@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000165997719 346185587 /nfs/dbraw/zinc/18/55/87/346185587.db2.gz HZQYVYAXQZSILW-DOTOQJQBSA-N 2 1 278.440 3.084 20 0 CGADMP CC[C@H](C)[NH2+][C@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000165997719 346185591 /nfs/dbraw/zinc/18/55/91/346185591.db2.gz HZQYVYAXQZSILW-DOTOQJQBSA-N 2 1 278.440 3.084 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000248376173 346375456 /nfs/dbraw/zinc/37/54/56/346375456.db2.gz ZVEIFZHGXYEMEN-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000248376173 346375458 /nfs/dbraw/zinc/37/54/58/346375458.db2.gz ZVEIFZHGXYEMEN-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000248376173 346375460 /nfs/dbraw/zinc/37/54/60/346375460.db2.gz ZVEIFZHGXYEMEN-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000584697048 346708366 /nfs/dbraw/zinc/70/83/66/346708366.db2.gz ARVICXXECWPZRX-JONQDZQNSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000589644593 346805336 /nfs/dbraw/zinc/80/53/36/346805336.db2.gz OETQKZJPBKGZOR-KBPBESRZSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595020987 347259532 /nfs/dbraw/zinc/25/95/32/347259532.db2.gz BSHPQIWHPVZWNM-GJZGRUSLSA-N 2 1 290.492 3.035 20 0 CGADMP C[C@@H](F)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000351851436 219226543 /nfs/dbraw/zinc/22/65/43/219226543.db2.gz AFXIRWMFFXQUBK-HZPDHXFCSA-N 2 1 270.436 3.178 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000351863942 219230754 /nfs/dbraw/zinc/23/07/54/219230754.db2.gz VWVWURQEEPAOMI-QAPCUYQASA-N 2 1 298.430 3.278 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000624120083 349976818 /nfs/dbraw/zinc/97/68/18/349976818.db2.gz QZESBLRZXJVOKI-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120653 349977174 /nfs/dbraw/zinc/97/71/74/349977174.db2.gz DMTSRJYUVCJJAN-DOTOQJQBSA-N 2 1 292.442 3.468 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120832 349978825 /nfs/dbraw/zinc/97/88/25/349978825.db2.gz HWVGLBYSWUOJBU-DYVFJYSZSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000624122426 349981272 /nfs/dbraw/zinc/98/12/72/349981272.db2.gz RCSULRSJUXAAET-GDBMZVCRSA-N 2 1 275.440 3.081 20 0 CGADMP CC(C[NH+]1CCC[C@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000605574339 348162363 /nfs/dbraw/zinc/16/23/63/348162363.db2.gz MSAWJKIOGPYTKF-ROUUACIJSA-N 2 1 276.468 3.371 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000339409772 215155961 /nfs/dbraw/zinc/15/59/61/215155961.db2.gz NNZMQCKZHQODSS-XJKSGUPXSA-N 2 1 266.404 3.234 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624124064 349983134 /nfs/dbraw/zinc/98/31/34/349983134.db2.gz WFJUIGJFOFJMOW-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606447784 348184821 /nfs/dbraw/zinc/18/48/21/348184821.db2.gz RUWCNOQMOFCEIF-RDJZCZTQSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H](c1ccncc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606447784 348184823 /nfs/dbraw/zinc/18/48/23/348184823.db2.gz RUWCNOQMOFCEIF-RDJZCZTQSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339431184 215165774 /nfs/dbraw/zinc/16/57/74/215165774.db2.gz VVYODMKSNCBVDC-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339431184 215165777 /nfs/dbraw/zinc/16/57/77/215165777.db2.gz VVYODMKSNCBVDC-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339431184 215165779 /nfs/dbraw/zinc/16/57/79/215165779.db2.gz VVYODMKSNCBVDC-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339431184 215165782 /nfs/dbraw/zinc/16/57/82/215165782.db2.gz VVYODMKSNCBVDC-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000608067850 348282470 /nfs/dbraw/zinc/28/24/70/348282470.db2.gz XUBJDYWNSTXCRR-NVXWUHKLSA-N 2 1 260.425 3.123 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000339438881 215172683 /nfs/dbraw/zinc/17/26/83/215172683.db2.gz QTEOXXZULZALTQ-MOPGFXCFSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000339438881 215172687 /nfs/dbraw/zinc/17/26/87/215172687.db2.gz QTEOXXZULZALTQ-MOPGFXCFSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000339438881 215172688 /nfs/dbraw/zinc/17/26/88/215172688.db2.gz QTEOXXZULZALTQ-MOPGFXCFSA-N 2 1 284.447 3.482 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(N(C)C)c2)C[C@H]1C ZINC000608564445 348317826 /nfs/dbraw/zinc/31/78/26/348317826.db2.gz LSUSWJDLEJNAQB-CRAIPNDOSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(N(C)C)c2)C[C@H]1C ZINC000608564445 348317829 /nfs/dbraw/zinc/31/78/29/348317829.db2.gz LSUSWJDLEJNAQB-CRAIPNDOSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(N(C)C)c2)C[C@H]1C ZINC000608564445 348317831 /nfs/dbraw/zinc/31/78/31/348317831.db2.gz LSUSWJDLEJNAQB-CRAIPNDOSA-N 2 1 289.467 3.057 20 0 CGADMP C[NH+](C)C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000613418128 348599254 /nfs/dbraw/zinc/59/92/54/348599254.db2.gz LIRAGIYWWIAUIJ-UHFFFAOYSA-N 2 1 296.842 3.135 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000353624157 290222367 /nfs/dbraw/zinc/22/23/67/290222367.db2.gz SGUZOKVORYBQOX-YIYPIFLZSA-N 2 1 272.383 3.027 20 0 CGADMP F[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000339586902 215260274 /nfs/dbraw/zinc/26/02/74/215260274.db2.gz NINYEVDTBVCXRT-IRXDYDNUSA-N 2 1 276.399 3.131 20 0 CGADMP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCC[C@@H](C)C1 ZINC000339643421 215283612 /nfs/dbraw/zinc/28/36/12/215283612.db2.gz HAYKAGAGWDTQQJ-BPQIPLTHSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCC[C@@H](C)C1 ZINC000339643421 215283615 /nfs/dbraw/zinc/28/36/15/215283615.db2.gz HAYKAGAGWDTQQJ-BPQIPLTHSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCC[C@@H](C)C1 ZINC000339643421 215283618 /nfs/dbraw/zinc/28/36/18/215283618.db2.gz HAYKAGAGWDTQQJ-BPQIPLTHSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCC[C@@H](C)C1 ZINC000339643421 215283620 /nfs/dbraw/zinc/28/36/20/215283620.db2.gz HAYKAGAGWDTQQJ-BPQIPLTHSA-N 2 1 296.499 3.122 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+](CCn3ccnc3)C2)cc1F ZINC000625658418 350193711 /nfs/dbraw/zinc/19/37/11/350193711.db2.gz YYISUDZIGHMBEF-AWEZNQCLSA-N 2 1 291.345 3.041 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000352123207 219327550 /nfs/dbraw/zinc/32/75/50/219327550.db2.gz LKOHTMXRVSCWMQ-BZUAXINKSA-N 2 1 290.451 3.176 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000352123207 219327553 /nfs/dbraw/zinc/32/75/53/219327553.db2.gz LKOHTMXRVSCWMQ-BZUAXINKSA-N 2 1 290.451 3.176 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3[nH]ccc3c2)C[C@H]1C ZINC000628183268 350427222 /nfs/dbraw/zinc/42/72/22/350427222.db2.gz VNPAVRIIGVDXNY-RHSMWYFYSA-N 2 1 285.435 3.473 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000628309457 350492610 /nfs/dbraw/zinc/49/26/10/350492610.db2.gz WMYQNXPCINCCGL-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000629535202 350705174 /nfs/dbraw/zinc/70/51/74/350705174.db2.gz CIBCEIOSPCMKKZ-ZBFHGGJFSA-N 2 1 289.467 3.184 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565459 350713579 /nfs/dbraw/zinc/71/35/79/350713579.db2.gz VTJFSVCHZZQKJU-YIYPIFLZSA-N 2 1 292.389 3.272 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564261 350714096 /nfs/dbraw/zinc/71/40/96/350714096.db2.gz SFQCNKOWBFKBIJ-XQQFMLRXSA-N 2 1 280.378 3.128 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cc2c1 ZINC000629510017 350699110 /nfs/dbraw/zinc/69/91/10/350699110.db2.gz OHDCXDBFQBGOCI-HOCLYGCPSA-N 2 1 283.419 3.102 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000629595419 350716974 /nfs/dbraw/zinc/71/69/74/350716974.db2.gz OYGNQCOOLLXKKH-INQOVCNISA-N 2 1 250.430 3.054 20 0 CGADMP CC[C@@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629664564 350733420 /nfs/dbraw/zinc/73/34/20/350733420.db2.gz LBLSTARHCUXYCS-RYQLBKOJSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631659522 351109107 /nfs/dbraw/zinc/10/91/07/351109107.db2.gz RPAIVYGCXBNLLG-GOEBONIOSA-N 2 1 278.415 3.235 20 0 CGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCc1c[nH+]cn1C ZINC000631622255 351093842 /nfs/dbraw/zinc/09/38/42/351093842.db2.gz PGKKSDNEOONNAE-CQSZACIVSA-N 2 1 296.418 3.055 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841150 351150817 /nfs/dbraw/zinc/15/08/17/351150817.db2.gz YUVFNBOPEQAKSJ-NTZNESFSSA-N 2 1 297.240 3.037 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841150 351150819 /nfs/dbraw/zinc/15/08/19/351150819.db2.gz YUVFNBOPEQAKSJ-NTZNESFSSA-N 2 1 297.240 3.037 20 0 CGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887622 351152225 /nfs/dbraw/zinc/15/22/25/351152225.db2.gz SNOBWSDWOXBYGQ-DZGCQCFKSA-N 2 1 298.352 3.279 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631891357 351152554 /nfs/dbraw/zinc/15/25/54/351152554.db2.gz YBAAVPHJDILKNU-HOCLYGCPSA-N 2 1 270.376 3.007 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336514450 213392070 /nfs/dbraw/zinc/39/20/70/213392070.db2.gz FTMYBXCHXARYPP-KGLIPLIRSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336514450 213392072 /nfs/dbraw/zinc/39/20/72/213392072.db2.gz FTMYBXCHXARYPP-KGLIPLIRSA-N 2 1 264.388 3.303 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2)C1 ZINC000291440998 198022472 /nfs/dbraw/zinc/02/24/72/198022472.db2.gz KMULKYVLYNIINS-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2)C1 ZINC000291440998 198022473 /nfs/dbraw/zinc/02/24/73/198022473.db2.gz KMULKYVLYNIINS-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000291440998 198022475 /nfs/dbraw/zinc/02/24/75/198022475.db2.gz KMULKYVLYNIINS-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000291440998 198022476 /nfs/dbraw/zinc/02/24/76/198022476.db2.gz KMULKYVLYNIINS-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)CC(C)C ZINC000634678490 351563438 /nfs/dbraw/zinc/56/34/38/351563438.db2.gz VOQWMKQPIYJSLG-HZPDHXFCSA-N 2 1 284.488 3.290 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679073 351564625 /nfs/dbraw/zinc/56/46/25/351564625.db2.gz KYMYBJPMQGLCRQ-XHSDSOJGSA-N 2 1 296.499 3.290 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000634999676 351620858 /nfs/dbraw/zinc/62/08/58/351620858.db2.gz XSDLMOIJBSIZSE-UHFFFAOYSA-N 2 1 299.462 3.105 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(Cl)cn1 ZINC000635010173 351628147 /nfs/dbraw/zinc/62/81/47/351628147.db2.gz JCFGTNOQFWUERW-AAEUAGOBSA-N 2 1 281.831 3.164 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(Cl)cn1 ZINC000635010187 351628340 /nfs/dbraw/zinc/62/83/40/351628340.db2.gz JCFGTNOQFWUERW-YPMHNXCESA-N 2 1 281.831 3.164 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1F ZINC000635011659 351629352 /nfs/dbraw/zinc/62/93/52/351629352.db2.gz ONVNQHQZSWZNCT-YPMHNXCESA-N 2 1 282.378 3.394 20 0 CGADMP COC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122243305 187022502 /nfs/dbraw/zinc/02/25/02/187022502.db2.gz XCVQTBRJCICNQK-CYBMUJFWSA-N 2 1 287.407 3.256 20 0 CGADMP COc1cccc(CCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123138528 187073207 /nfs/dbraw/zinc/07/32/07/187073207.db2.gz LQZYXZVBGRFUJR-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123138528 187073208 /nfs/dbraw/zinc/07/32/08/187073208.db2.gz LQZYXZVBGRFUJR-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123138528 187073209 /nfs/dbraw/zinc/07/32/09/187073209.db2.gz LQZYXZVBGRFUJR-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123138528 187073210 /nfs/dbraw/zinc/07/32/10/187073210.db2.gz LQZYXZVBGRFUJR-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000123362067 187087249 /nfs/dbraw/zinc/08/72/49/187087249.db2.gz AECWQADFTCRORR-LSDHHAIUSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000123362067 187087250 /nfs/dbraw/zinc/08/72/50/187087250.db2.gz AECWQADFTCRORR-LSDHHAIUSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000366533177 234174493 /nfs/dbraw/zinc/17/44/93/234174493.db2.gz HAXMXYQIYNAALY-HNNXBMFYSA-N 2 1 299.418 3.255 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000366533177 234174496 /nfs/dbraw/zinc/17/44/96/234174496.db2.gz HAXMXYQIYNAALY-HNNXBMFYSA-N 2 1 299.418 3.255 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000367527108 234223885 /nfs/dbraw/zinc/22/38/85/234223885.db2.gz YKIGCDWLLBUIHD-QQMCDMLBSA-N 2 1 292.373 3.194 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000152437832 188018893 /nfs/dbraw/zinc/01/88/93/188018893.db2.gz VMMJQDNUKJNBQX-YVEFUNNKSA-N 2 1 294.389 3.490 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000152437832 188018894 /nfs/dbraw/zinc/01/88/94/188018894.db2.gz VMMJQDNUKJNBQX-YVEFUNNKSA-N 2 1 294.389 3.490 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1F ZINC000152770908 188042956 /nfs/dbraw/zinc/04/29/56/188042956.db2.gz XUYVKIBKAPBLOL-CJNGLKHVSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1F ZINC000152770908 188042958 /nfs/dbraw/zinc/04/29/58/188042958.db2.gz XUYVKIBKAPBLOL-CJNGLKHVSA-N 2 1 294.414 3.044 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000153463872 188083345 /nfs/dbraw/zinc/08/33/45/188083345.db2.gz ZENPHUZWKBNBPF-BBRMVZONSA-N 2 1 285.391 3.010 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)CC[N@@H+]1C ZINC000336447125 213312730 /nfs/dbraw/zinc/31/27/30/213312730.db2.gz GAYUJYUMWVRYMT-MLGOLLRUSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)CC[N@H+]1C ZINC000336447125 213312733 /nfs/dbraw/zinc/31/27/33/213312733.db2.gz GAYUJYUMWVRYMT-MLGOLLRUSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC[NH+]1C ZINC000336447125 213312735 /nfs/dbraw/zinc/31/27/35/213312735.db2.gz GAYUJYUMWVRYMT-MLGOLLRUSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC[NH+]1C ZINC000336447125 213312736 /nfs/dbraw/zinc/31/27/36/213312736.db2.gz GAYUJYUMWVRYMT-MLGOLLRUSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795537 188162045 /nfs/dbraw/zinc/16/20/45/188162045.db2.gz SNYBEDBBHVYKRB-ZOBUZTSGSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795537 188162046 /nfs/dbraw/zinc/16/20/46/188162046.db2.gz SNYBEDBBHVYKRB-ZOBUZTSGSA-N 2 1 298.434 3.006 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271831449 191353800 /nfs/dbraw/zinc/35/38/00/191353800.db2.gz DWHKQFVLSQHNHC-GOSISDBHSA-N 2 1 272.436 3.249 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271873293 191383382 /nfs/dbraw/zinc/38/33/82/191383382.db2.gz NIKCNIPPFQVREM-GOSISDBHSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(OC(F)F)c1 ZINC000271885204 191390241 /nfs/dbraw/zinc/39/02/41/191390241.db2.gz QPIAFKKBDYYDIS-GFCCVEGCSA-N 2 1 296.361 3.201 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271847007 191363951 /nfs/dbraw/zinc/36/39/51/191363951.db2.gz HYDFFZOCDQKVSN-GFCCVEGCSA-N 2 1 294.826 3.261 20 0 CGADMP Cc1occc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414291985 235380708 /nfs/dbraw/zinc/38/07/08/235380708.db2.gz USONEQAFZUISMW-OKILXGFUSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1occc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414291985 235380709 /nfs/dbraw/zinc/38/07/09/235380709.db2.gz USONEQAFZUISMW-OKILXGFUSA-N 2 1 264.413 3.046 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000091287744 138343645 /nfs/dbraw/zinc/34/36/45/138343645.db2.gz VSCXNABHMALWET-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP CCC[C@]1(C)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000124783862 138378182 /nfs/dbraw/zinc/37/81/82/138378182.db2.gz DOXPMXHBBSZROD-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@]1(C)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000124783862 138378183 /nfs/dbraw/zinc/37/81/83/138378183.db2.gz DOXPMXHBBSZROD-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@]1(C)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124783862 138378184 /nfs/dbraw/zinc/37/81/84/138378184.db2.gz DOXPMXHBBSZROD-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCOC1 ZINC000123975940 138371525 /nfs/dbraw/zinc/37/15/25/138371525.db2.gz XDUVTENRSKWJDD-ZWKOTPCHSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000423209717 235996778 /nfs/dbraw/zinc/99/67/78/235996778.db2.gz JJBCDBKGTGPRCO-QWHCGFSZSA-N 2 1 298.377 3.247 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423225179 236000496 /nfs/dbraw/zinc/00/04/96/236000496.db2.gz LPVCYTWZMPIVNQ-NWDGAFQWSA-N 2 1 275.421 3.198 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423382684 236057623 /nfs/dbraw/zinc/05/76/23/236057623.db2.gz OYKYAWYHYRFLGE-XJKCOSOUSA-N 2 1 272.392 3.094 20 0 CGADMP COc1cccc(C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c2ccccc2)c1 ZINC000423440925 236070835 /nfs/dbraw/zinc/07/08/35/236070835.db2.gz ISNLNBIALRFUGC-CLCXKQKWSA-N 2 1 298.430 3.304 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])sc1Br ZINC000423455849 236074890 /nfs/dbraw/zinc/07/48/90/236074890.db2.gz DASYFDASPUAVFW-CIUDSAMLSA-N 2 1 291.258 3.205 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1)CC[NH2+]CC2 ZINC000424377649 236158914 /nfs/dbraw/zinc/15/89/14/236158914.db2.gz MKSMYMBXQVCDNI-SZMVWBNQSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCCc1cccc(F)c1)CC[NH2+]CC2 ZINC000424285932 236142323 /nfs/dbraw/zinc/14/23/23/236142323.db2.gz GIPRFGYJBNBODZ-OAHLLOKOSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424288646 236143164 /nfs/dbraw/zinc/14/31/64/236143164.db2.gz KVSBBQYNMVRFHZ-ZDUSSCGKSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)c(Cl)c1)CC[NH2+]CC2 ZINC000424295104 236143824 /nfs/dbraw/zinc/14/38/24/236143824.db2.gz QRMORGVVRHFNFQ-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP Cc1cc(F)c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(F)c1 ZINC000425374314 236240801 /nfs/dbraw/zinc/24/08/01/236240801.db2.gz WXRPPNNYWWZQOE-KRWDZBQOSA-N 2 1 294.389 3.191 20 0 CGADMP COCC(C)(C)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000426408698 236293429 /nfs/dbraw/zinc/29/34/29/236293429.db2.gz BZXQMLYDMDNLKG-SJORKVTESA-N 2 1 296.499 3.245 20 0 CGADMP COCC(C)(C)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000426408698 236293431 /nfs/dbraw/zinc/29/34/31/236293431.db2.gz BZXQMLYDMDNLKG-SJORKVTESA-N 2 1 296.499 3.245 20 0 CGADMP COCC(C)(C)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000426408698 236293433 /nfs/dbraw/zinc/29/34/33/236293433.db2.gz BZXQMLYDMDNLKG-SJORKVTESA-N 2 1 296.499 3.245 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)(C(C)C)CC1 ZINC000426729110 236309179 /nfs/dbraw/zinc/30/91/79/236309179.db2.gz ZZWQSWVDKPJVQJ-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000428277314 236387635 /nfs/dbraw/zinc/38/76/35/236387635.db2.gz NCJIVICIGZICAX-KBMXLJTQSA-N 2 1 261.413 3.235 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000428277314 236387637 /nfs/dbraw/zinc/38/76/37/236387637.db2.gz NCJIVICIGZICAX-KBMXLJTQSA-N 2 1 261.413 3.235 20 0 CGADMP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(C)c1O ZINC000298164407 200349875 /nfs/dbraw/zinc/34/98/75/200349875.db2.gz KPPYTVGNWAYBHO-UHFFFAOYSA-N 2 1 290.451 3.314 20 0 CGADMP Cc1cccc2c(CC[NH2+]C3CC[NH+](C4CC4)CC3)c[nH]c21 ZINC000298324539 200395497 /nfs/dbraw/zinc/39/54/97/200395497.db2.gz INURMKQBKMZXTR-UHFFFAOYSA-N 2 1 297.446 3.235 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000177271210 189041027 /nfs/dbraw/zinc/04/10/27/189041027.db2.gz LAOXERNSTGLUDR-KGLIPLIRSA-N 2 1 278.465 3.348 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000177271210 189041028 /nfs/dbraw/zinc/04/10/28/189041028.db2.gz LAOXERNSTGLUDR-KGLIPLIRSA-N 2 1 278.465 3.348 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000177295793 189042441 /nfs/dbraw/zinc/04/24/41/189042441.db2.gz OLKVMJGROZLLPD-UONOGXRCSA-N 2 1 287.407 3.187 20 0 CGADMP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCC1 ZINC000362367062 299312512 /nfs/dbraw/zinc/31/25/12/299312512.db2.gz YYBFAIWTUYEHMC-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC000178511592 189122855 /nfs/dbraw/zinc/12/28/55/189122855.db2.gz KKDUPEYKAPNAOI-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC000178703305 189138764 /nfs/dbraw/zinc/13/87/64/189138764.db2.gz IIBQIYZUHFPBFK-DZGCQCFKSA-N 2 1 271.408 3.487 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000262136207 296027674 /nfs/dbraw/zinc/02/76/74/296027674.db2.gz YSQFDDWYMZCFCQ-GDBMZVCRSA-N 2 1 278.465 3.122 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000262136207 296027675 /nfs/dbraw/zinc/02/76/75/296027675.db2.gz YSQFDDWYMZCFCQ-GDBMZVCRSA-N 2 1 278.465 3.122 20 0 CGADMP CC/C=C\CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000342268916 216284953 /nfs/dbraw/zinc/28/49/53/216284953.db2.gz DHIMNLSPFHFBLF-ARJAWSKDSA-N 2 1 250.430 3.293 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000181412571 189296255 /nfs/dbraw/zinc/29/62/55/189296255.db2.gz IKTPJRQUZIBHSP-NEPJUHHUSA-N 2 1 292.814 3.227 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181600317 189302044 /nfs/dbraw/zinc/30/20/44/189302044.db2.gz JZQILGTYFWPVOK-ZBFHGGJFSA-N 2 1 290.451 3.045 20 0 CGADMP CCc1cc(N(C)CC[N@H+](C)C2CCCCC2)nc(C)[nH+]1 ZINC000302049097 201320352 /nfs/dbraw/zinc/32/03/52/201320352.db2.gz MQHSGDOLLCVIBY-UHFFFAOYSA-N 2 1 290.455 3.048 20 0 CGADMP CCc1cc(N(C)CC[N@@H+](C)C2CCCCC2)nc(C)[nH+]1 ZINC000302049097 201320354 /nfs/dbraw/zinc/32/03/54/201320354.db2.gz MQHSGDOLLCVIBY-UHFFFAOYSA-N 2 1 290.455 3.048 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2ccoc21 ZINC000449070179 239157814 /nfs/dbraw/zinc/15/78/14/239157814.db2.gz BMWYHAZVLMOYFK-ZDUSSCGKSA-N 2 1 283.375 3.364 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449106223 239181154 /nfs/dbraw/zinc/18/11/54/239181154.db2.gz LDLPFZCGJRBLDC-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449105355 239182571 /nfs/dbraw/zinc/18/25/71/239182571.db2.gz DDFVREDCLWNFPI-CYBMUJFWSA-N 2 1 283.375 3.159 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cc2cccnc2o1)C(C)(C)C ZINC000449138359 239200220 /nfs/dbraw/zinc/20/02/20/239200220.db2.gz BOROMADXHJBJIL-OAHLLOKOSA-N 2 1 289.423 3.284 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC1CC[NH2+]CC1 ZINC000479687711 297312122 /nfs/dbraw/zinc/31/21/22/297312122.db2.gz NGQSDMAXYKWLTM-KBMXLJTQSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000449373403 239360349 /nfs/dbraw/zinc/36/03/49/239360349.db2.gz RDIIBDVQKCSGRJ-BMFZPTHFSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2=CCOCC2)cc1 ZINC000449401244 239381941 /nfs/dbraw/zinc/38/19/41/239381941.db2.gz GAYKIQHRCRMUTI-AWEZNQCLSA-N 2 1 297.402 3.178 20 0 CGADMP COc1cccc([C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337284298 376190609 /nfs/dbraw/zinc/19/06/09/376190609.db2.gz YTNWZYSEASTRPW-HNNXBMFYSA-N 2 1 276.424 3.174 20 0 CGADMP COc1cccc([C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337284298 376190610 /nfs/dbraw/zinc/19/06/10/376190610.db2.gz YTNWZYSEASTRPW-HNNXBMFYSA-N 2 1 276.424 3.174 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000120348254 370759532 /nfs/dbraw/zinc/75/95/32/370759532.db2.gz DBSMNVQGXAKPPW-UHFFFAOYSA-N 2 1 268.404 3.366 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000275595381 193083301 /nfs/dbraw/zinc/08/33/01/193083301.db2.gz PYRMUNJXNKCFHM-NEPJUHHUSA-N 2 1 291.345 3.075 20 0 CGADMP CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000459729671 242196594 /nfs/dbraw/zinc/19/65/94/242196594.db2.gz DGLBQIWTVXXMRI-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459797944 242239594 /nfs/dbraw/zinc/23/95/94/242239594.db2.gz XGSSEOPUYZAOHP-DOTOQJQBSA-N 2 1 292.442 3.468 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000121478308 370863422 /nfs/dbraw/zinc/86/34/22/370863422.db2.gz CCBGKACETYPOGF-KBPBESRZSA-N 2 1 289.398 3.188 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474606990 242894484 /nfs/dbraw/zinc/89/44/84/242894484.db2.gz NKYXXLRLJIJUTH-AEFFLSMTSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1Oc2ccccc2[C@H]1C ZINC000358398901 299386171 /nfs/dbraw/zinc/38/61/71/299386171.db2.gz JWXAUTKQTZWOPG-NSIVTLKISA-N 2 1 288.435 3.012 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1Oc2ccccc2[C@H]1C ZINC000358398901 299386174 /nfs/dbraw/zinc/38/61/74/299386174.db2.gz JWXAUTKQTZWOPG-NSIVTLKISA-N 2 1 288.435 3.012 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000479581463 243112971 /nfs/dbraw/zinc/11/29/71/243112971.db2.gz ICNLIMHIYNWGSJ-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP COCC[NH+]1CCC([NH2+]CC(C)(C)C2=CCCCC2)CC1 ZINC000480695969 243161828 /nfs/dbraw/zinc/16/18/28/243161828.db2.gz VISWRMNEDZTVOM-UHFFFAOYSA-N 2 1 294.483 3.213 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000479690236 243120534 /nfs/dbraw/zinc/12/05/34/243120534.db2.gz UQALADYLUWOZOO-IBGZPJMESA-N 2 1 286.463 3.331 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cncs1 ZINC000359941289 296122063 /nfs/dbraw/zinc/12/20/63/296122063.db2.gz KECSWFXWDQRXNH-ZIAGYGMSSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1 ZINC000019905786 368778276 /nfs/dbraw/zinc/77/82/76/368778276.db2.gz BZNOSZPQZHRYMT-LBPRGKRZSA-N 2 1 252.377 3.064 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000019913120 368781734 /nfs/dbraw/zinc/78/17/34/368781734.db2.gz PBTZAVYPXBRCOX-CABCVRRESA-N 2 1 276.424 3.307 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000019913120 368781737 /nfs/dbraw/zinc/78/17/37/368781737.db2.gz PBTZAVYPXBRCOX-CABCVRRESA-N 2 1 276.424 3.307 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000019943161 368788154 /nfs/dbraw/zinc/78/81/54/368788154.db2.gz FQEKWULYUZWIGI-HNNXBMFYSA-N 2 1 278.440 3.468 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000019958669 368789534 /nfs/dbraw/zinc/78/95/34/368789534.db2.gz DLCFHXCLUZPCOW-NSHDSACASA-N 2 1 274.330 3.308 20 0 CGADMP CC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020088943 368799523 /nfs/dbraw/zinc/79/95/23/368799523.db2.gz VCCDDHWOYCOAGE-OAHLLOKOSA-N 2 1 260.425 3.287 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000036457444 369022164 /nfs/dbraw/zinc/02/21/64/369022164.db2.gz MDSZZENOSKADCH-OAHLLOKOSA-N 2 1 254.377 3.011 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H]1CCc2ccccc2C1)C(C)C ZINC000034995918 368988343 /nfs/dbraw/zinc/98/83/43/368988343.db2.gz KCFQQVYGGCZCDT-SFHVURJKSA-N 2 1 274.452 3.252 20 0 CGADMP CCOc1cccc(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000037678396 369099508 /nfs/dbraw/zinc/09/95/08/369099508.db2.gz MOPPHDKMZOCAQL-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388340 369251447 /nfs/dbraw/zinc/25/14/47/369251447.db2.gz NGILNJPINQUNOX-UHFFFAOYSA-N 2 1 272.795 3.301 20 0 CGADMP CN1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201134 244365959 /nfs/dbraw/zinc/36/59/59/244365959.db2.gz MDQLIHPHDFDTLI-YJBOKZPZSA-N 2 1 296.414 3.473 20 0 CGADMP CN1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201134 244365963 /nfs/dbraw/zinc/36/59/63/244365963.db2.gz MDQLIHPHDFDTLI-YJBOKZPZSA-N 2 1 296.414 3.473 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000053147914 369478522 /nfs/dbraw/zinc/47/85/22/369478522.db2.gz LBVOGNYZGOZRMX-LALPHHSUSA-N 2 1 266.816 3.158 20 0 CGADMP C[NH+]1CCC([NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000127860497 370957409 /nfs/dbraw/zinc/95/74/09/370957409.db2.gz SSEJVIVAHSSYOF-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070169424 369786776 /nfs/dbraw/zinc/78/67/76/369786776.db2.gz IYTSHVLXUWCKKY-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000076001145 369925013 /nfs/dbraw/zinc/92/50/13/369925013.db2.gz MFEIBYXOYYMIOC-KRWDZBQOSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1ncsc1[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163711 370030879 /nfs/dbraw/zinc/03/08/79/370030879.db2.gz DSMGTJZDVOFLJO-RLAWYHOSSA-N 2 1 279.453 3.117 20 0 CGADMP CC(C)Cc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000093089393 370107944 /nfs/dbraw/zinc/10/79/44/370107944.db2.gz FLOTWNKJVYOQGN-UHFFFAOYSA-N 2 1 295.496 3.115 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000093398281 370122404 /nfs/dbraw/zinc/12/24/04/370122404.db2.gz ISLOBOSJSUXELB-KBPBESRZSA-N 2 1 281.469 3.306 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2coc3ccccc23)C1 ZINC000093770122 370157420 /nfs/dbraw/zinc/15/74/20/370157420.db2.gz QIYYZXPIXQCHRI-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc3ccccc23)C1 ZINC000093770122 370157424 /nfs/dbraw/zinc/15/74/24/370157424.db2.gz QIYYZXPIXQCHRI-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000093770122 370157428 /nfs/dbraw/zinc/15/74/28/370157428.db2.gz QIYYZXPIXQCHRI-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000093770122 370157431 /nfs/dbraw/zinc/15/74/31/370157431.db2.gz QIYYZXPIXQCHRI-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000097602881 370248645 /nfs/dbraw/zinc/24/86/45/370248645.db2.gz GKAOKNOQWHSDCA-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])ccc2n1 ZINC000097862640 370255999 /nfs/dbraw/zinc/25/59/99/370255999.db2.gz QJIBSSJCKBBEII-QGZVFWFLSA-N 2 1 283.419 3.247 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000113515235 370476873 /nfs/dbraw/zinc/47/68/73/370476873.db2.gz SXQVSTSBJVMJEW-OAHLLOKOSA-N 2 1 268.404 3.223 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCCCC2)[C@H]2CCC[C@H]21 ZINC000514083096 245105078 /nfs/dbraw/zinc/10/50/78/245105078.db2.gz JRTGYXPBLKWRGH-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)s1 ZINC000130187830 371016590 /nfs/dbraw/zinc/01/65/90/371016590.db2.gz LZXJRSSOAGQFGP-UHFFFAOYSA-N 2 1 264.438 3.021 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000131384171 371103519 /nfs/dbraw/zinc/10/35/19/371103519.db2.gz KRSIVPBMNYPBQI-KRWDZBQOSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000131384171 371103524 /nfs/dbraw/zinc/10/35/24/371103524.db2.gz KRSIVPBMNYPBQI-KRWDZBQOSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000132162051 371156720 /nfs/dbraw/zinc/15/67/20/371156720.db2.gz LUBPKJWWKOPAEW-CYBMUJFWSA-N 2 1 295.446 3.130 20 0 CGADMP Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132016885 371146341 /nfs/dbraw/zinc/14/63/41/371146341.db2.gz PFLAMILJNIMGLT-IRXDYDNUSA-N 2 1 252.361 3.229 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1OC ZINC000135199366 371400010 /nfs/dbraw/zinc/40/00/10/371400010.db2.gz KCPLTAWHQJRSQH-UXLLHSPISA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1OC ZINC000135199366 371400014 /nfs/dbraw/zinc/40/00/14/371400014.db2.gz KCPLTAWHQJRSQH-UXLLHSPISA-N 2 1 288.435 3.363 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCSc1ccccc1 ZINC000136296281 371472762 /nfs/dbraw/zinc/47/27/62/371472762.db2.gz YZFPXPOGAZSNCA-UHFFFAOYSA-N 2 1 289.448 3.306 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCSc1ccccc1 ZINC000136296281 371472768 /nfs/dbraw/zinc/47/27/68/371472768.db2.gz YZFPXPOGAZSNCA-UHFFFAOYSA-N 2 1 289.448 3.306 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000147645423 371519300 /nfs/dbraw/zinc/51/93/00/371519300.db2.gz PNHHXEYQGOFWKW-INIZCTEOSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000151098982 371567561 /nfs/dbraw/zinc/56/75/61/371567561.db2.gz JZUFSIXKVBFNIX-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000151098982 371567569 /nfs/dbraw/zinc/56/75/69/371567569.db2.gz JZUFSIXKVBFNIX-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP CCOCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000151628125 371619819 /nfs/dbraw/zinc/61/98/19/371619819.db2.gz YBKXBZRDGGQZNR-HDMKZQKVSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000151564779 371613993 /nfs/dbraw/zinc/61/39/93/371613993.db2.gz IYARMDBUNSBNJF-ZENOOKHLSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(F)cc1F ZINC000151859739 371644252 /nfs/dbraw/zinc/64/42/52/371644252.db2.gz RSNCCNOLIXCDHA-HPTBWKMGSA-N 2 1 296.405 3.387 20 0 CGADMP COc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C2CC2)c(F)c1 ZINC000421861283 371684916 /nfs/dbraw/zinc/68/49/16/371684916.db2.gz VAJQVCCRAZITQB-SJCJKPOMSA-N 2 1 294.414 3.073 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cn2)C(C)C)C1 ZINC000353338793 220034183 /nfs/dbraw/zinc/03/41/83/220034183.db2.gz USZYPRQMAMQKED-PBHICJAKSA-N 2 1 293.430 3.239 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cn2)C(C)C)C1 ZINC000353338793 220034185 /nfs/dbraw/zinc/03/41/85/220034185.db2.gz USZYPRQMAMQKED-PBHICJAKSA-N 2 1 293.430 3.239 20 0 CGADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1C ZINC000422763226 371792573 /nfs/dbraw/zinc/79/25/73/371792573.db2.gz OPHOELIRJLNEKH-CRAIPNDOSA-N 2 1 298.430 3.052 20 0 CGADMP COc1ccc2cc(C[N@H+](C)CCC[NH+](C)C)ccc2c1 ZINC000337337519 214014301 /nfs/dbraw/zinc/01/43/01/214014301.db2.gz OUZCQLVSWYEEEV-UHFFFAOYSA-N 2 1 286.419 3.232 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)CCC[NH+](C)C)ccc2c1 ZINC000337337519 214014305 /nfs/dbraw/zinc/01/43/05/214014305.db2.gz OUZCQLVSWYEEEV-UHFFFAOYSA-N 2 1 286.419 3.232 20 0 CGADMP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422822603 371829643 /nfs/dbraw/zinc/82/96/43/371829643.db2.gz KFQXYNYNCUUUSX-KBPBESRZSA-N 2 1 297.240 3.035 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422780594 371804428 /nfs/dbraw/zinc/80/44/28/371804428.db2.gz KNMPHNMHCLKYMC-CQSZACIVSA-N 2 1 283.419 3.431 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)Sc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422794987 371813939 /nfs/dbraw/zinc/81/39/39/371813939.db2.gz VDEPKESKQQKISP-BMFZPTHFSA-N 2 1 278.465 3.287 20 0 CGADMP C[C@H]([NH2+]CCc1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000422945709 371885281 /nfs/dbraw/zinc/88/52/81/371885281.db2.gz NTKOYIXFNAIZMA-KBXCAEBGSA-N 2 1 268.404 3.112 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCn2ccc3ccccc32)[C@H](C)C1 ZINC000154585369 371859123 /nfs/dbraw/zinc/85/91/23/371859123.db2.gz SNDSBGBLWDAOJA-AEFFLSMTSA-N 2 1 299.462 3.351 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422897202 371859855 /nfs/dbraw/zinc/85/98/55/371859855.db2.gz BMCHJTAYDJZNNE-SJCJKPOMSA-N 2 1 290.357 3.013 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC000154871253 371886386 /nfs/dbraw/zinc/88/63/86/371886386.db2.gz LRPXCJLBMRBAOC-ZDUSSCGKSA-N 2 1 280.378 3.383 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC000154871253 371886393 /nfs/dbraw/zinc/88/63/93/371886393.db2.gz LRPXCJLBMRBAOC-ZDUSSCGKSA-N 2 1 280.378 3.383 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC000154871253 371886401 /nfs/dbraw/zinc/88/64/01/371886401.db2.gz LRPXCJLBMRBAOC-ZDUSSCGKSA-N 2 1 280.378 3.383 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000154871253 371886407 /nfs/dbraw/zinc/88/64/07/371886407.db2.gz LRPXCJLBMRBAOC-ZDUSSCGKSA-N 2 1 280.378 3.383 20 0 CGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000422949508 371888383 /nfs/dbraw/zinc/88/83/83/371888383.db2.gz VKCGGICILLFHJA-ZDUSSCGKSA-N 2 1 299.393 3.328 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000422981396 371901822 /nfs/dbraw/zinc/90/18/22/371901822.db2.gz SOPHDQUSBRPKJY-JQHSSLGASA-N 2 1 289.467 3.243 20 0 CGADMP Oc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422997959 371908659 /nfs/dbraw/zinc/90/86/59/371908659.db2.gz VSZSHAUDZIVDMJ-HKUYNNGSSA-N 2 1 296.414 3.018 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCCc2ccccc21)c1c[nH+]ccc1N ZINC000423014182 371916055 /nfs/dbraw/zinc/91/60/55/371916055.db2.gz HPAGDXUWWYQPTK-KUHUBIRLSA-N 2 1 295.430 3.439 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cl)cn1 ZINC000423016994 371917090 /nfs/dbraw/zinc/91/70/90/371917090.db2.gz NTAGDWGXUHFGQI-GXTWGEPZSA-N 2 1 281.831 3.135 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316515 371961842 /nfs/dbraw/zinc/96/18/42/371961842.db2.gz CPMYGDXIZSTRJQ-LJTORXTESA-N 2 1 294.389 3.250 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316515 371961843 /nfs/dbraw/zinc/96/18/43/371961843.db2.gz CPMYGDXIZSTRJQ-LJTORXTESA-N 2 1 294.389 3.250 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316515 371961844 /nfs/dbraw/zinc/96/18/44/371961844.db2.gz CPMYGDXIZSTRJQ-LJTORXTESA-N 2 1 294.389 3.250 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316515 371961845 /nfs/dbraw/zinc/96/18/45/371961845.db2.gz CPMYGDXIZSTRJQ-LJTORXTESA-N 2 1 294.389 3.250 20 0 CGADMP C[C@H]([NH2+]CCn1ccc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423100761 371965024 /nfs/dbraw/zinc/96/50/24/371965024.db2.gz HJSDLHLGGMVUGD-WFASDCNBSA-N 2 1 291.826 3.025 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423102564 371965628 /nfs/dbraw/zinc/96/56/28/371965628.db2.gz XBECHPDLMGHZTL-RCCFBDPRSA-N 2 1 293.499 3.033 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290432361 371988090 /nfs/dbraw/zinc/98/80/90/371988090.db2.gz LHJKCPCQYAVDQS-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290432361 371988092 /nfs/dbraw/zinc/98/80/92/371988092.db2.gz LHJKCPCQYAVDQS-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290432361 371988093 /nfs/dbraw/zinc/98/80/93/371988093.db2.gz LHJKCPCQYAVDQS-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083712 371954594 /nfs/dbraw/zinc/95/45/94/371954594.db2.gz GKYINBFCYNMUKV-WNOSKKOXSA-N 2 1 276.399 3.049 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000423187034 372015719 /nfs/dbraw/zinc/01/57/19/372015719.db2.gz LPCPEKNRWUMTEJ-CQSZACIVSA-N 2 1 289.448 3.282 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000423190642 372016725 /nfs/dbraw/zinc/01/67/25/372016725.db2.gz RFYJWRIWNBEKSS-MRXNPFEDSA-N 2 1 283.419 3.221 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559611 372017115 /nfs/dbraw/zinc/01/71/15/372017115.db2.gz SHYRUYAZSOIZGH-IAQYHMDHSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559611 372017120 /nfs/dbraw/zinc/01/71/20/372017120.db2.gz SHYRUYAZSOIZGH-IAQYHMDHSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559611 372017125 /nfs/dbraw/zinc/01/71/25/372017125.db2.gz SHYRUYAZSOIZGH-IAQYHMDHSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559611 372017134 /nfs/dbraw/zinc/01/71/34/372017134.db2.gz SHYRUYAZSOIZGH-IAQYHMDHSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423196780 372020552 /nfs/dbraw/zinc/02/05/52/372020552.db2.gz WHAGKOFDPPVQLB-HUBLWGQQSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CC1([NH3+])CCCCCC1)CCC2 ZINC000423198774 372022990 /nfs/dbraw/zinc/02/29/90/372022990.db2.gz HVMUAPBNFJEMNY-CYBMUJFWSA-N 2 1 293.480 3.470 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000290639581 372031555 /nfs/dbraw/zinc/03/15/55/372031555.db2.gz YJTRKMUCUFXAJZ-HNNXBMFYSA-N 2 1 294.389 3.129 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423266465 372043597 /nfs/dbraw/zinc/04/35/97/372043597.db2.gz SCLKXRSAVWOABP-ZBFHGGJFSA-N 2 1 264.388 3.166 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CCCCC1 ZINC000423262357 372043892 /nfs/dbraw/zinc/04/38/92/372043892.db2.gz MDRLQZDDKWKDMH-ROUUACIJSA-N 2 1 288.435 3.267 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000423277215 372046943 /nfs/dbraw/zinc/04/69/43/372046943.db2.gz NXVMWGUPVDCHCC-STQMWFEESA-N 2 1 285.218 3.308 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423280461 372048570 /nfs/dbraw/zinc/04/85/70/372048570.db2.gz SPSLYENHZHABQY-LSDHHAIUSA-N 2 1 264.800 3.044 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(CC)sc21 ZINC000423297800 372049489 /nfs/dbraw/zinc/04/94/89/372049489.db2.gz LXVMSMPTTMJCPA-VXGBXAGGSA-N 2 1 281.469 3.190 20 0 CGADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+][C@H](C)C[NH3+] ZINC000423319896 372051989 /nfs/dbraw/zinc/05/19/89/372051989.db2.gz FYPPLMHZGROSRY-DOMZBBRYSA-N 2 1 268.832 3.234 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158133255 372055410 /nfs/dbraw/zinc/05/54/10/372055410.db2.gz HZRHZMDVBMOADX-NVXWUHKLSA-N 2 1 288.435 3.140 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423178943 372008579 /nfs/dbraw/zinc/00/85/79/372008579.db2.gz LJYWFKUTLSSMTM-ZDUSSCGKSA-N 2 1 262.397 3.007 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)ccc1F ZINC000423186187 372012694 /nfs/dbraw/zinc/01/26/94/372012694.db2.gz WPFJICKFINEUKH-GFCCVEGCSA-N 2 1 280.387 3.147 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423502904 372071197 /nfs/dbraw/zinc/07/11/97/372071197.db2.gz FNNDHDGBTJHOGS-ROUUACIJSA-N 2 1 288.435 3.180 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158539507 372073323 /nfs/dbraw/zinc/07/33/23/372073323.db2.gz XPNNCCJRQKSMAK-LZLYRXPVSA-N 2 1 272.436 3.472 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158539507 372073325 /nfs/dbraw/zinc/07/33/25/372073325.db2.gz XPNNCCJRQKSMAK-LZLYRXPVSA-N 2 1 272.436 3.472 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158539507 372073329 /nfs/dbraw/zinc/07/33/29/372073329.db2.gz XPNNCCJRQKSMAK-LZLYRXPVSA-N 2 1 272.436 3.472 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1cncs1 ZINC000158653427 372077533 /nfs/dbraw/zinc/07/75/33/372077533.db2.gz TYFKIQSUBFVDFY-IHRRRGAJSA-N 2 1 281.469 3.162 20 0 CGADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424371699 372085610 /nfs/dbraw/zinc/08/56/10/372085610.db2.gz GEQNVBFDJLMXNL-NILFDRSVSA-N 2 1 264.438 3.329 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000160970057 372292984 /nfs/dbraw/zinc/29/29/84/372292984.db2.gz BQAFNXCDYIYOIO-QMTHXVAHSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000160970057 372292989 /nfs/dbraw/zinc/29/29/89/372292989.db2.gz BQAFNXCDYIYOIO-QMTHXVAHSA-N 2 1 270.779 3.051 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c[nH]c21 ZINC000161801361 372352153 /nfs/dbraw/zinc/35/21/53/372352153.db2.gz PRSCQZZWACLDMQ-PBHICJAKSA-N 2 1 299.462 3.345 20 0 CGADMP CC(C)CCc1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1 ZINC000430946322 372408490 /nfs/dbraw/zinc/40/84/90/372408490.db2.gz VTTJNIRWJQTBFZ-CYBMUJFWSA-N 2 1 295.496 3.291 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000430946206 372408499 /nfs/dbraw/zinc/40/84/99/372408499.db2.gz VBKNBNMIBAANGO-CYBMUJFWSA-N 2 1 298.883 3.364 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC)[C@@H](C)C1 ZINC000429427045 372363904 /nfs/dbraw/zinc/36/39/04/372363904.db2.gz NJWMGWTVIOBQRL-JKSUJKDBSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000293770834 372474967 /nfs/dbraw/zinc/47/49/67/372474967.db2.gz SEKYREFMTDWEEG-SDNTUTLCSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000293770834 372474971 /nfs/dbraw/zinc/47/49/71/372474971.db2.gz SEKYREFMTDWEEG-SDNTUTLCSA-N 2 1 276.399 3.144 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162863545 372429831 /nfs/dbraw/zinc/42/98/31/372429831.db2.gz QDALLSBLSOIZEI-YESZJQIVSA-N 2 1 284.488 3.290 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCCCC1 ZINC000163309587 372460270 /nfs/dbraw/zinc/46/02/70/372460270.db2.gz NDMAJMPDFSETLI-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000163398974 372467137 /nfs/dbraw/zinc/46/71/37/372467137.db2.gz KNCYKCVGHMEFLY-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1csc(Cl)c1 ZINC000293893732 372514595 /nfs/dbraw/zinc/51/45/95/372514595.db2.gz ZHEKTPWJPSVENC-VHSXEESVSA-N 2 1 260.834 3.250 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)CC[N@H+]1C ZINC000164772010 372531641 /nfs/dbraw/zinc/53/16/41/372531641.db2.gz GSPDYZKGNKTGAE-CZUORRHYSA-N 2 1 278.415 3.176 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000166086177 372564809 /nfs/dbraw/zinc/56/48/09/372564809.db2.gz MLVHRGZAEYYERX-VKJFTORMSA-N 2 1 290.451 3.119 20 0 CGADMP CC(C)C1CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000432356840 372565594 /nfs/dbraw/zinc/56/55/94/372565594.db2.gz KFNGUANOSUHXBE-WWDZGPRUSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C1CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000432356840 372565596 /nfs/dbraw/zinc/56/55/96/372565596.db2.gz KFNGUANOSUHXBE-WWDZGPRUSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000294175696 372603940 /nfs/dbraw/zinc/60/39/40/372603940.db2.gz DBGVTTDMWMQTCL-DOMZBBRYSA-N 2 1 264.438 3.273 20 0 CGADMP CCC[C@@H](C)C[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000344524038 217220992 /nfs/dbraw/zinc/22/09/92/217220992.db2.gz LNZRNAGBLFJIEO-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+](Cc1cc(C)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435380320 372756678 /nfs/dbraw/zinc/75/66/78/372756678.db2.gz NNNABSYQXPQTOI-OAHLLOKOSA-N 2 1 264.388 3.098 20 0 CGADMP CC[N@@H+](Cc1cc(C)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435380320 372756685 /nfs/dbraw/zinc/75/66/85/372756685.db2.gz NNNABSYQXPQTOI-OAHLLOKOSA-N 2 1 264.388 3.098 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435438638 372765863 /nfs/dbraw/zinc/76/58/63/372765863.db2.gz QWTLYKFPNAWWKD-LJQANCHMSA-N 2 1 295.430 3.323 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000438114195 372888897 /nfs/dbraw/zinc/88/88/97/372888897.db2.gz DJJBLBFDAKANBC-CVEARBPZSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000438123110 372894577 /nfs/dbraw/zinc/89/45/77/372894577.db2.gz CIYBJPABXQKXDV-AITUJVMLSA-N 2 1 284.447 3.181 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295909500 372954770 /nfs/dbraw/zinc/95/47/70/372954770.db2.gz JEHAWZYQMUTWIP-CYBMUJFWSA-N 2 1 295.858 3.290 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000442791613 373083862 /nfs/dbraw/zinc/08/38/62/373083862.db2.gz ODKGIKREDDHJJO-GJZGRUSLSA-N 2 1 297.402 3.043 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000442791615 373084700 /nfs/dbraw/zinc/08/47/00/373084700.db2.gz ODKGIKREDDHJJO-HUUCEWRRSA-N 2 1 297.402 3.043 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000442918543 373128476 /nfs/dbraw/zinc/12/84/76/373128476.db2.gz CUJHHISBJDTXHA-MRXNPFEDSA-N 2 1 295.430 3.309 20 0 CGADMP CCCCc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443058314 373146356 /nfs/dbraw/zinc/14/63/56/373146356.db2.gz JZDNGPNVPQNTGG-ZDUSSCGKSA-N 2 1 281.469 3.047 20 0 CGADMP Cc1ccc(SCC[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443056150 373146576 /nfs/dbraw/zinc/14/65/76/373146576.db2.gz CCJXMHXISWOMEU-INIZCTEOSA-N 2 1 292.492 3.456 20 0 CGADMP CCc1ccccc1CC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000444654222 373222175 /nfs/dbraw/zinc/22/21/75/373222175.db2.gz WJFPSBUNTJVBIN-KRWDZBQOSA-N 2 1 288.479 3.455 20 0 CGADMP COc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2c1 ZINC000174515192 373331937 /nfs/dbraw/zinc/33/19/37/373331937.db2.gz ZTTLCTXGUUDIQL-RDTXWAMCSA-N 2 1 298.430 3.421 20 0 CGADMP CC[NH+](C[C@H](O)C[N@H+](CC)[C@@H](C)C(C)C)[C@H](C)C(C)C ZINC000447162461 373409359 /nfs/dbraw/zinc/40/93/59/373409359.db2.gz IVVZSFJYWQAGPD-FVQHAEBGSA-N 2 1 286.504 3.080 20 0 CGADMP CC[NH+](C[C@@H](O)C[N@H+](CC)[C@H](C)C(C)C)[C@@H](C)C(C)C ZINC000447162461 373409366 /nfs/dbraw/zinc/40/93/66/373409366.db2.gz IVVZSFJYWQAGPD-FVQHAEBGSA-N 2 1 286.504 3.080 20 0 CGADMP CC[NH+](C[C@@H](O)C[N@@H+](CC)[C@H](C)C(C)C)[C@@H](C)C(C)C ZINC000447162461 373409376 /nfs/dbraw/zinc/40/93/76/373409376.db2.gz IVVZSFJYWQAGPD-FVQHAEBGSA-N 2 1 286.504 3.080 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC3(CCC3)C2)C1 ZINC000448059639 373545427 /nfs/dbraw/zinc/54/54/27/373545427.db2.gz CMUOQUDUMPWWFJ-CQSZACIVSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC3(CCC3)C2)C1 ZINC000448059639 373545433 /nfs/dbraw/zinc/54/54/33/373545433.db2.gz CMUOQUDUMPWWFJ-CQSZACIVSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000300125762 373619932 /nfs/dbraw/zinc/61/99/32/373619932.db2.gz VEJLUVVVZAJKPJ-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCC[C@H]1C ZINC000449086250 373661913 /nfs/dbraw/zinc/66/19/13/373661913.db2.gz BLCADQFLKGAPSW-HMDCTGQHSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc(NC[C@@H](C2CCCCC2)[NH+](C)C)nc(C)[nH+]1 ZINC000301130119 373671966 /nfs/dbraw/zinc/67/19/66/373671966.db2.gz ZUKZNWADLCYUAQ-HNNXBMFYSA-N 2 1 276.428 3.016 20 0 CGADMP C[NH+](C)C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301276968 373725218 /nfs/dbraw/zinc/72/52/18/373725218.db2.gz LHDHJHVDWVHBAP-UHFFFAOYSA-N 2 1 289.810 3.419 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc2ccccc2n1 ZINC000178030228 373738399 /nfs/dbraw/zinc/73/83/99/373738399.db2.gz RPZFFFRFHXFFFD-GJZGRUSLSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2ccccc2n1 ZINC000178030228 373738408 /nfs/dbraw/zinc/73/84/08/373738408.db2.gz RPZFFFRFHXFFFD-GJZGRUSLSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000178030228 373738416 /nfs/dbraw/zinc/73/84/16/373738416.db2.gz RPZFFFRFHXFFFD-GJZGRUSLSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccoc1 ZINC000178113440 373745566 /nfs/dbraw/zinc/74/55/66/373745566.db2.gz PYZWNAUWGKFTKP-ZNMIVQPWSA-N 2 1 264.413 3.298 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccoc1 ZINC000178113440 373745570 /nfs/dbraw/zinc/74/55/70/373745570.db2.gz PYZWNAUWGKFTKP-ZNMIVQPWSA-N 2 1 264.413 3.298 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000178744643 373809256 /nfs/dbraw/zinc/80/92/56/373809256.db2.gz NLSKFDZERKZFOI-IHRRRGAJSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178973821 373823018 /nfs/dbraw/zinc/82/30/18/373823018.db2.gz MSYFBDAHXYOPJW-KRWDZBQOSA-N 2 1 290.476 3.085 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(C)nc2C)C1 ZINC000178510961 373786792 /nfs/dbraw/zinc/78/67/92/373786792.db2.gz AWNHQARQWVLEQT-FZMZJTMJSA-N 2 1 281.469 3.142 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2o1)C[C@@H]1CCC[NH+](C)C1 ZINC000178536081 373791399 /nfs/dbraw/zinc/79/13/99/373791399.db2.gz ZLGONPFBILHQAL-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CCC[NH+](C)C1 ZINC000178536081 373791405 /nfs/dbraw/zinc/79/14/05/373791405.db2.gz ZLGONPFBILHQAL-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1cc2ccccc2o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000178536081 373791412 /nfs/dbraw/zinc/79/14/12/373791412.db2.gz ZLGONPFBILHQAL-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1cc2ccccc2o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000178536081 373791416 /nfs/dbraw/zinc/79/14/16/373791416.db2.gz ZLGONPFBILHQAL-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179582935 373891080 /nfs/dbraw/zinc/89/10/80/373891080.db2.gz IGUCUXXMBCEBHI-HNNXBMFYSA-N 2 1 264.388 3.135 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000179251298 373848926 /nfs/dbraw/zinc/84/89/26/373848926.db2.gz DHXCZLTZOWAUFG-UHFFFAOYSA-N 2 1 291.439 3.007 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC2(CCCCC2)C1 ZINC000179251298 373848933 /nfs/dbraw/zinc/84/89/33/373848933.db2.gz DHXCZLTZOWAUFG-UHFFFAOYSA-N 2 1 291.439 3.007 20 0 CGADMP Cc1cc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc[nH+]1 ZINC000302780276 373960496 /nfs/dbraw/zinc/96/04/96/373960496.db2.gz ILKAIJWTRHHEFH-OAHLLOKOSA-N 2 1 299.393 3.412 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1C ZINC000179836155 373925744 /nfs/dbraw/zinc/92/57/44/373925744.db2.gz FXEBQNJFZWTMJG-UHFFFAOYSA-N 2 1 260.425 3.266 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180156583 373972138 /nfs/dbraw/zinc/97/21/38/373972138.db2.gz RHUCNPSVZWAGKP-LEUOFYLZSA-N 2 1 272.436 3.285 20 0 CGADMP COC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC1 ZINC000180194366 373976569 /nfs/dbraw/zinc/97/65/69/373976569.db2.gz NALCMBYLCMXHOQ-AWEZNQCLSA-N 2 1 299.418 3.400 20 0 CGADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180765919 374044753 /nfs/dbraw/zinc/04/47/53/374044753.db2.gz NRBXZJOOYZBHCH-ZMSDIMECSA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180765919 374044760 /nfs/dbraw/zinc/04/47/60/374044760.db2.gz NRBXZJOOYZBHCH-ZMSDIMECSA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180765919 374044769 /nfs/dbraw/zinc/04/47/69/374044769.db2.gz NRBXZJOOYZBHCH-ZMSDIMECSA-N 2 1 264.457 3.371 20 0 CGADMP CCC1(CC)[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C[C@@H]1OC ZINC000181809530 374176098 /nfs/dbraw/zinc/17/60/98/374176098.db2.gz XBJOOCXQMABXLC-HOTGVXAUSA-N 2 1 293.455 3.155 20 0 CGADMP Cc1ccc(CCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000181946691 374194340 /nfs/dbraw/zinc/19/43/40/374194340.db2.gz ZABNKUCVULRZAZ-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000181946691 374194347 /nfs/dbraw/zinc/19/43/47/374194347.db2.gz ZABNKUCVULRZAZ-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000181946691 374194352 /nfs/dbraw/zinc/19/43/52/374194352.db2.gz ZABNKUCVULRZAZ-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000181946691 374194357 /nfs/dbraw/zinc/19/43/57/374194357.db2.gz ZABNKUCVULRZAZ-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000182055508 374211717 /nfs/dbraw/zinc/21/17/17/374211717.db2.gz PUHJIUDCXUXTNG-FUHWJXTLSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@H](C[N@@H+](C)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000311089353 374233654 /nfs/dbraw/zinc/23/36/54/374233654.db2.gz QNFCTCRFPNYERR-CQSZACIVSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+]1CCCC1 ZINC000314301067 374315562 /nfs/dbraw/zinc/31/55/62/374315562.db2.gz YXAZADWYKITAJE-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000328298896 374362377 /nfs/dbraw/zinc/36/23/77/374362377.db2.gz UCXIHZFTEQIQEO-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)(CC[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000328570882 374367218 /nfs/dbraw/zinc/36/72/18/374367218.db2.gz SAWQYULHXFHEKP-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000086906248 541941987 /nfs/dbraw/zinc/94/19/87/541941987.db2.gz PIKFHIRGGIEGPU-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC[N@@H+]1C ZINC000453383946 374471263 /nfs/dbraw/zinc/47/12/63/374471263.db2.gz MXLWBWAXRHPVFE-KBUPBQIOSA-N 2 1 294.464 3.041 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC[N@H+]1C ZINC000453383946 374471266 /nfs/dbraw/zinc/47/12/66/374471266.db2.gz MXLWBWAXRHPVFE-KBUPBQIOSA-N 2 1 294.464 3.041 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCC[C@@H]1C1CC1)C1CC1 ZINC000453410797 374474640 /nfs/dbraw/zinc/47/46/40/374474640.db2.gz VGLBSMJVZIVXBT-SJORKVTESA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)COC[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccco1 ZINC000184154138 374498319 /nfs/dbraw/zinc/49/83/19/374498319.db2.gz QHEJXQBBCOLYLE-HZPDHXFCSA-N 2 1 294.439 3.067 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccoc1)[NH+]1CCCCC1 ZINC000184500041 374531230 /nfs/dbraw/zinc/53/12/30/374531230.db2.gz JSRDAIJLZRBKTE-KBPBESRZSA-N 2 1 250.386 3.195 20 0 CGADMP CC1(C)CC([NH2+][C@@H]2CCCc3cccnc32)CC(C)(C)[NH2+]1 ZINC000091660379 541968416 /nfs/dbraw/zinc/96/84/16/541968416.db2.gz ZBYBSIJNJOCNEQ-OAHLLOKOSA-N 2 1 287.451 3.358 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(F)c1 ZINC000334413094 374729247 /nfs/dbraw/zinc/72/92/47/374729247.db2.gz MHZJUYTWWUDHBU-KOLCDFICSA-N 2 1 293.773 3.410 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000186152495 374804081 /nfs/dbraw/zinc/80/40/81/374804081.db2.gz HTCHVYQMSRKVRS-NWDGAFQWSA-N 2 1 293.436 3.249 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000459778250 374820264 /nfs/dbraw/zinc/82/02/64/374820264.db2.gz KTEBDMSWAPBGMK-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000459794955 374821808 /nfs/dbraw/zinc/82/18/08/374821808.db2.gz VCWFLQAAPVRTOK-HSBZDZAISA-N 2 1 274.399 3.132 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000334646416 374938515 /nfs/dbraw/zinc/93/85/15/374938515.db2.gz IQLXDYJWGUQTNI-GFCCVEGCSA-N 2 1 275.783 3.019 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)CC3CC[NH+](C)CC3)ccc2n1 ZINC000187179961 374984235 /nfs/dbraw/zinc/98/42/35/374984235.db2.gz IDSIPCZMSNZPRY-UHFFFAOYSA-N 2 1 297.446 3.317 20 0 CGADMP c1ccc(CC[C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000469879590 374992623 /nfs/dbraw/zinc/99/26/23/374992623.db2.gz GINXGLUBPYXFSA-LJQANCHMSA-N 2 1 286.463 3.473 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000474404612 375106915 /nfs/dbraw/zinc/10/69/15/375106915.db2.gz XRHABJYJOXGCPJ-CRAIPNDOSA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000474404612 375106923 /nfs/dbraw/zinc/10/69/23/375106923.db2.gz XRHABJYJOXGCPJ-CRAIPNDOSA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000474404612 375106932 /nfs/dbraw/zinc/10/69/32/375106932.db2.gz XRHABJYJOXGCPJ-CRAIPNDOSA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000474404612 375106942 /nfs/dbraw/zinc/10/69/42/375106942.db2.gz XRHABJYJOXGCPJ-CRAIPNDOSA-N 2 1 290.426 3.304 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000474483375 375115671 /nfs/dbraw/zinc/11/56/71/375115671.db2.gz VYSBDYDHGTUYKL-HOTGVXAUSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000335181752 375207173 /nfs/dbraw/zinc/20/71/73/375207173.db2.gz QSTSFORKUOSDRN-IUODEOHRSA-N 2 1 274.433 3.331 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC12CCCC2)C1CCCC1 ZINC000189114518 375328030 /nfs/dbraw/zinc/32/80/30/375328030.db2.gz HPBLDGGUQRVQJM-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC12CCCC2)C1CCCC1 ZINC000189114518 375328034 /nfs/dbraw/zinc/32/80/34/375328034.db2.gz HPBLDGGUQRVQJM-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CC2)CC1 ZINC000488428454 375308538 /nfs/dbraw/zinc/30/85/38/375308538.db2.gz BBJCHALZTIOKMR-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CC2)CC1 ZINC000488428454 375308545 /nfs/dbraw/zinc/30/85/45/375308545.db2.gz BBJCHALZTIOKMR-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000495163378 375498081 /nfs/dbraw/zinc/49/80/81/375498081.db2.gz IUYHWRUYUGTOPO-QXSJWSMHSA-N 2 1 282.497 3.077 20 0 CGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cnn1C(C)C ZINC000191349614 375614779 /nfs/dbraw/zinc/61/47/79/375614779.db2.gz UILLBSMURXSJIY-CQSZACIVSA-N 2 1 292.471 3.296 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1Cl ZINC000507799326 375724861 /nfs/dbraw/zinc/72/48/61/375724861.db2.gz YAVQOZJWPMUAEW-HNNXBMFYSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000507799326 375724869 /nfs/dbraw/zinc/72/48/69/375724869.db2.gz YAVQOZJWPMUAEW-HNNXBMFYSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000507799326 375724878 /nfs/dbraw/zinc/72/48/78/375724878.db2.gz YAVQOZJWPMUAEW-HNNXBMFYSA-N 2 1 280.843 3.422 20 0 CGADMP C[N@@H+](Cc1ccsc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123899331 542029723 /nfs/dbraw/zinc/02/97/23/542029723.db2.gz KEHYQKMYHJOFSC-UHFFFAOYSA-N 2 1 272.417 3.026 20 0 CGADMP C[N@@H+](CCc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000124000324 542030462 /nfs/dbraw/zinc/03/04/62/542030462.db2.gz UIBGESNSAPYJPK-UHFFFAOYSA-N 2 1 286.444 3.068 20 0 CGADMP CC[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000508564798 375750822 /nfs/dbraw/zinc/75/08/22/375750822.db2.gz AVHHITZPQAGRJU-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000508564798 375750826 /nfs/dbraw/zinc/75/08/26/375750826.db2.gz AVHHITZPQAGRJU-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000508564798 375750831 /nfs/dbraw/zinc/75/08/31/375750831.db2.gz AVHHITZPQAGRJU-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1cccc(Cl)c1)C2 ZINC000192606661 375769495 /nfs/dbraw/zinc/76/94/95/375769495.db2.gz ASIPPGVTIZBRPW-MQVJKMGUSA-N 2 1 278.827 3.097 20 0 CGADMP CCO[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000192926280 375803331 /nfs/dbraw/zinc/80/33/31/375803331.db2.gz HZCVWBGIBXKFMP-FBVQUNGASA-N 2 1 294.483 3.187 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1sccc1Cl ZINC000193085587 375823581 /nfs/dbraw/zinc/82/35/81/375823581.db2.gz GLBHILTZIHRGFG-JTQLQIEISA-N 2 1 283.828 3.332 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)cn1 ZINC000193125487 375830468 /nfs/dbraw/zinc/83/04/68/375830468.db2.gz DUTIHSZAVOIPCQ-XJKSGUPXSA-N 2 1 298.434 3.490 20 0 CGADMP CSCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193279953 375852645 /nfs/dbraw/zinc/85/26/45/375852645.db2.gz HLFFGWZKPNBYEI-GOOCMWNKSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H](C[NH2+]CC1([NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC000525875233 375889437 /nfs/dbraw/zinc/88/94/37/375889437.db2.gz QECWYCCAHRXBLF-CQSZACIVSA-N 2 1 278.415 3.393 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000520648795 375869281 /nfs/dbraw/zinc/86/92/81/375869281.db2.gz LBRGTBCNWHOQOJ-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CCOc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000336825162 375981643 /nfs/dbraw/zinc/98/16/43/375981643.db2.gz XJDDRYGYMILECR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000336825162 375981648 /nfs/dbraw/zinc/98/16/48/375981648.db2.gz XJDDRYGYMILECR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000336825162 375981657 /nfs/dbraw/zinc/98/16/57/375981657.db2.gz XJDDRYGYMILECR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000336825162 375981662 /nfs/dbraw/zinc/98/16/62/375981662.db2.gz XJDDRYGYMILECR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP Fc1ccccc1-c1ccc(C[NH2+]CCCN2CCC2)o1 ZINC000535047496 376017300 /nfs/dbraw/zinc/01/73/00/376017300.db2.gz RMVVTQQMSIKMDX-UHFFFAOYSA-N 2 1 288.366 3.271 20 0 CGADMP CCOc1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000336825163 375981937 /nfs/dbraw/zinc/98/19/37/375981937.db2.gz XJDDRYGYMILECR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000336825163 375981942 /nfs/dbraw/zinc/98/19/42/375981942.db2.gz XJDDRYGYMILECR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000336825163 375981948 /nfs/dbraw/zinc/98/19/48/375981948.db2.gz XJDDRYGYMILECR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000336825163 375981955 /nfs/dbraw/zinc/98/19/55/375981955.db2.gz XJDDRYGYMILECR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000337139786 376094608 /nfs/dbraw/zinc/09/46/08/376094608.db2.gz QIOQFAWXLIQHMO-OAHLLOKOSA-N 2 1 277.456 3.357 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000535745360 376052574 /nfs/dbraw/zinc/05/25/74/376052574.db2.gz HLNXXDNJTMPVAD-NUEKZKHPSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000535745360 376052578 /nfs/dbraw/zinc/05/25/78/376052578.db2.gz HLNXXDNJTMPVAD-NUEKZKHPSA-N 2 1 261.413 3.092 20 0 CGADMP CCc1ncc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000535815238 376064696 /nfs/dbraw/zinc/06/46/96/376064696.db2.gz OKTQVDLYQFEAIY-UHFFFAOYSA-N 2 1 295.496 3.258 20 0 CGADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211946562 376137745 /nfs/dbraw/zinc/13/77/45/376137745.db2.gz GFNUYTHTQUAAFU-RDTXWAMCSA-N 2 1 272.436 3.343 20 0 CGADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536856587 376138100 /nfs/dbraw/zinc/13/81/00/376138100.db2.gz GQCPBLXULCMGJC-XMTFNYHQSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969494 376155035 /nfs/dbraw/zinc/15/50/35/376155035.db2.gz VJLFLMJEMLEPAO-KBPBESRZSA-N 2 1 278.399 3.426 20 0 CGADMP C[N@@H+](CCCCC(F)(F)F)CCC[NH+]1CCCC1 ZINC000337278237 376185962 /nfs/dbraw/zinc/18/59/62/376185962.db2.gz SMCASKNKYXWLKA-UHFFFAOYSA-N 2 1 266.351 3.137 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)s1 ZINC000536695287 376123576 /nfs/dbraw/zinc/12/35/76/376123576.db2.gz YDTCWKHJVICDQQ-CYBMUJFWSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)s1 ZINC000536695287 376123578 /nfs/dbraw/zinc/12/35/78/376123578.db2.gz YDTCWKHJVICDQQ-CYBMUJFWSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)s1 ZINC000536695287 376123582 /nfs/dbraw/zinc/12/35/82/376123582.db2.gz YDTCWKHJVICDQQ-CYBMUJFWSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)s1 ZINC000536695287 376123588 /nfs/dbraw/zinc/12/35/88/376123588.db2.gz YDTCWKHJVICDQQ-CYBMUJFWSA-N 2 1 266.454 3.084 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CC2CC2)CC1)CC(C)C ZINC000537997638 376217409 /nfs/dbraw/zinc/21/74/09/376217409.db2.gz KGQDULJJYCMNCQ-UHFFFAOYSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000538488233 376244833 /nfs/dbraw/zinc/24/48/33/376244833.db2.gz VSBAXGGNWLQMIJ-OAHLLOKOSA-N 2 1 252.446 3.444 20 0 CGADMP Fc1cccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000538554135 376248446 /nfs/dbraw/zinc/24/84/46/376248446.db2.gz QNLOYXLHVXFDIH-UHFFFAOYSA-N 2 1 288.410 3.279 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccno2)CC1)CC1CC1 ZINC000538949834 376281716 /nfs/dbraw/zinc/28/17/16/376281716.db2.gz PZXFFHLUPNCPBF-UHFFFAOYSA-N 2 1 291.439 3.009 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224113331 376272771 /nfs/dbraw/zinc/27/27/71/376272771.db2.gz RRLQBEKUNRQZCT-KKUMJFAQSA-N 2 1 276.424 3.137 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224113331 376272775 /nfs/dbraw/zinc/27/27/75/376272775.db2.gz RRLQBEKUNRQZCT-KKUMJFAQSA-N 2 1 276.424 3.137 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@H]1C ZINC000539510060 376315696 /nfs/dbraw/zinc/31/56/96/376315696.db2.gz WMQFVGUQOADYHW-OIISXLGYSA-N 2 1 264.457 3.299 20 0 CGADMP CC(C)SCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338291864 376317927 /nfs/dbraw/zinc/31/79/27/376317927.db2.gz NXIJTZQHHHJYED-HUUCEWRRSA-N 2 1 284.513 3.371 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000225617881 376318944 /nfs/dbraw/zinc/31/89/44/376318944.db2.gz UWNNTSZZZNGFRP-UHFFFAOYSA-N 2 1 278.440 3.294 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000225617881 376318947 /nfs/dbraw/zinc/31/89/47/376318947.db2.gz UWNNTSZZZNGFRP-UHFFFAOYSA-N 2 1 278.440 3.294 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000226332409 376353244 /nfs/dbraw/zinc/35/32/44/376353244.db2.gz VSNMSXGJNKQEQO-AVGNSLFASA-N 2 1 266.816 3.460 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000539039264 376286756 /nfs/dbraw/zinc/28/67/56/376286756.db2.gz BOIZQZMDIJLGGW-RLIYEPBISA-N 2 1 276.468 3.131 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000226313322 376350350 /nfs/dbraw/zinc/35/03/50/376350350.db2.gz LOBAZJBQWUIUSK-OAHLLOKOSA-N 2 1 290.451 3.466 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(F)cc1 ZINC000338236958 376293279 /nfs/dbraw/zinc/29/32/79/376293279.db2.gz PUCTZWLWGCIIFA-UHFFFAOYSA-N 2 1 266.404 3.380 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(F)cc1 ZINC000338236958 376293286 /nfs/dbraw/zinc/29/32/86/376293286.db2.gz PUCTZWLWGCIIFA-UHFFFAOYSA-N 2 1 266.404 3.380 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000541174932 376424329 /nfs/dbraw/zinc/42/43/29/376424329.db2.gz VEHGJRZXVKGUHC-MRXNPFEDSA-N 2 1 280.481 3.344 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1C ZINC000226438861 376360071 /nfs/dbraw/zinc/36/00/71/376360071.db2.gz NHCYGAXKIHCNAD-QGZVFWFLSA-N 2 1 272.436 3.267 20 0 CGADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540152260 376360150 /nfs/dbraw/zinc/36/01/50/376360150.db2.gz TURJIFSWRIIBOO-IRXDYDNUSA-N 2 1 284.488 3.005 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1C ZINC000226438865 376360188 /nfs/dbraw/zinc/36/01/88/376360188.db2.gz NHCYGAXKIHCNAD-KRWDZBQOSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c2ccccc2n1 ZINC000227380621 376393334 /nfs/dbraw/zinc/39/33/34/376393334.db2.gz HRUWCTTZTPCJLI-KBXCAEBGSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c2ccccc2n1 ZINC000227380621 376393341 /nfs/dbraw/zinc/39/33/41/376393341.db2.gz HRUWCTTZTPCJLI-KBXCAEBGSA-N 2 1 283.419 3.245 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000228382902 376435688 /nfs/dbraw/zinc/43/56/88/376435688.db2.gz JOCMZSWHQWGUDH-GJZGRUSLSA-N 2 1 280.362 3.341 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000228382902 376435692 /nfs/dbraw/zinc/43/56/92/376435692.db2.gz JOCMZSWHQWGUDH-GJZGRUSLSA-N 2 1 280.362 3.341 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)C[C@@H]21 ZINC000229650397 376467351 /nfs/dbraw/zinc/46/73/51/376467351.db2.gz HOULCJKRXPWREY-BYCMXARLSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)C[C@@H]21 ZINC000229650397 376467354 /nfs/dbraw/zinc/46/73/54/376467354.db2.gz HOULCJKRXPWREY-BYCMXARLSA-N 2 1 282.790 3.038 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH2+]C(C)(C)c1cccs1 ZINC000541642123 376470901 /nfs/dbraw/zinc/47/09/01/376470901.db2.gz CMRQZTMGJSDGHV-ZDUSSCGKSA-N 2 1 266.454 3.447 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000542164049 376514676 /nfs/dbraw/zinc/51/46/76/376514676.db2.gz YQVVGVSLZKVIQU-WMLDXEAASA-N 2 1 292.492 3.343 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000542164049 376514678 /nfs/dbraw/zinc/51/46/78/376514678.db2.gz YQVVGVSLZKVIQU-WMLDXEAASA-N 2 1 292.492 3.343 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000542164049 376514682 /nfs/dbraw/zinc/51/46/82/376514682.db2.gz YQVVGVSLZKVIQU-WMLDXEAASA-N 2 1 292.492 3.343 20 0 CGADMP Fc1ccc2c(NCC[N@H+]3CC=CCC3)cc[nH+]c2c1 ZINC000338713264 376494428 /nfs/dbraw/zinc/49/44/28/376494428.db2.gz OVDJIODWARORRR-UHFFFAOYSA-N 2 1 271.339 3.048 20 0 CGADMP Fc1ccc2c(NCC[N@@H+]3CC=CCC3)cc[nH+]c2c1 ZINC000338713264 376494437 /nfs/dbraw/zinc/49/44/37/376494437.db2.gz OVDJIODWARORRR-UHFFFAOYSA-N 2 1 271.339 3.048 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231454013 376558034 /nfs/dbraw/zinc/55/80/34/376558034.db2.gz RJCLKQMDOUSLGO-CQSZACIVSA-N 2 1 286.341 3.279 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@H](C)Cc2ccsc2)[C@@H](C)C1 ZINC000543080770 376604603 /nfs/dbraw/zinc/60/46/03/376604603.db2.gz GECDQRCYGLPTJU-LZWOXQAQSA-N 2 1 280.481 3.341 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@H](C)Cc2ccsc2)[C@@H](C)C1 ZINC000543080770 376604607 /nfs/dbraw/zinc/60/46/07/376604607.db2.gz GECDQRCYGLPTJU-LZWOXQAQSA-N 2 1 280.481 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H](C)Cc2ccsc2)[C@@H](C)C1 ZINC000543080770 376604619 /nfs/dbraw/zinc/60/46/19/376604619.db2.gz GECDQRCYGLPTJU-LZWOXQAQSA-N 2 1 280.481 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H](C)Cc2ccsc2)[C@@H](C)C1 ZINC000543080770 376604624 /nfs/dbraw/zinc/60/46/24/376604624.db2.gz GECDQRCYGLPTJU-LZWOXQAQSA-N 2 1 280.481 3.341 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccc(F)cc2F)CCN1C ZINC000542702441 376569888 /nfs/dbraw/zinc/56/98/88/376569888.db2.gz GUNDTPGGOBRQFG-GNVQUDOXSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccc(F)cc2F)CCN1C ZINC000542702441 376569896 /nfs/dbraw/zinc/56/98/96/376569896.db2.gz GUNDTPGGOBRQFG-GNVQUDOXSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccc(F)cc2F)CCN1C ZINC000542702445 376570818 /nfs/dbraw/zinc/57/08/18/376570818.db2.gz GUNDTPGGOBRQFG-WSXGPOFGSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccc(F)cc2F)CCN1C ZINC000542702445 376570821 /nfs/dbraw/zinc/57/08/21/376570821.db2.gz GUNDTPGGOBRQFG-WSXGPOFGSA-N 2 1 294.389 3.393 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000542840154 376586356 /nfs/dbraw/zinc/58/63/56/376586356.db2.gz ANZHQEGKWORSNY-HUUCEWRRSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000232716525 376587584 /nfs/dbraw/zinc/58/75/84/376587584.db2.gz NVMASYXDMAYLMS-SJLPKXTDSA-N 2 1 274.452 3.358 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000235365756 376639158 /nfs/dbraw/zinc/63/91/58/376639158.db2.gz GTFMXYDGSGVNTN-TZMCWYRMSA-N 2 1 266.816 3.160 20 0 CGADMP Cc1ccc(SCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339065962 376657765 /nfs/dbraw/zinc/65/77/65/376657765.db2.gz CMWXZTLIFCOQNA-HOTGVXAUSA-N 2 1 290.476 3.304 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000544023125 376695448 /nfs/dbraw/zinc/69/54/48/376695448.db2.gz FFQFGDVWLATSPG-FVQBIDKESA-N 2 1 278.465 3.095 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000544023125 376695453 /nfs/dbraw/zinc/69/54/53/376695453.db2.gz FFQFGDVWLATSPG-FVQBIDKESA-N 2 1 278.465 3.095 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000245468696 376825517 /nfs/dbraw/zinc/82/55/17/376825517.db2.gz UAOXXKQRVXXCQU-HZPDHXFCSA-N 2 1 260.425 3.458 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245520943 376841775 /nfs/dbraw/zinc/84/17/75/376841775.db2.gz SYTFOYVNAFUCSO-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cccc(F)c2)[C@@H](C)C1 ZINC000245535488 376844473 /nfs/dbraw/zinc/84/44/73/376844473.db2.gz WUTFMXDWROVYSW-MAUKXSAKSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cccc(F)c2)[C@@H](C)C1 ZINC000245535488 376844482 /nfs/dbraw/zinc/84/44/82/376844482.db2.gz WUTFMXDWROVYSW-MAUKXSAKSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cccc(F)c2)[C@@H](C)C1 ZINC000245535488 376844492 /nfs/dbraw/zinc/84/44/92/376844492.db2.gz WUTFMXDWROVYSW-MAUKXSAKSA-N 2 1 292.442 3.420 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000245621254 376869358 /nfs/dbraw/zinc/86/93/58/376869358.db2.gz WSEQUBMJCFNSPC-MAUKXSAKSA-N 2 1 286.463 3.111 20 0 CGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246159916 376979655 /nfs/dbraw/zinc/97/96/55/376979655.db2.gz DDJPYYFJBPQHCD-FUHWJXTLSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@H](C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246159916 376979661 /nfs/dbraw/zinc/97/96/61/376979661.db2.gz DDJPYYFJBPQHCD-FUHWJXTLSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@H](C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246159916 376979670 /nfs/dbraw/zinc/97/96/70/376979670.db2.gz DDJPYYFJBPQHCD-FUHWJXTLSA-N 2 1 274.452 3.486 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000340190066 376942882 /nfs/dbraw/zinc/94/28/82/376942882.db2.gz BDWJNHALBWSNJS-OAHLLOKOSA-N 2 1 261.413 3.284 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000246342493 377014039 /nfs/dbraw/zinc/01/40/39/377014039.db2.gz GZDSAYQCSZIGGG-HUUCEWRRSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCC23CCCC3)CCCO1 ZINC000340369338 377022958 /nfs/dbraw/zinc/02/29/58/377022958.db2.gz HBAAJFLWTPQLPJ-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC23CCCC3)CCCO1 ZINC000340369338 377022961 /nfs/dbraw/zinc/02/29/61/377022961.db2.gz HBAAJFLWTPQLPJ-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@H+](CCOc1ccc(Cl)cc1)CC[C@H]1CCC[NH+]1C ZINC000340370742 377025915 /nfs/dbraw/zinc/02/59/15/377025915.db2.gz FWTXBWKOTVAGDK-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[N@@H+](CCOc1ccc(Cl)cc1)CC[C@H]1CCC[NH+]1C ZINC000340370742 377025917 /nfs/dbraw/zinc/02/59/17/377025917.db2.gz FWTXBWKOTVAGDK-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1ccc(Cl)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000340370742 377025922 /nfs/dbraw/zinc/02/59/22/377025922.db2.gz FWTXBWKOTVAGDK-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1ccc(Cl)cc1)CC[C@H]1CCC[N@H+]1C ZINC000340370742 377025924 /nfs/dbraw/zinc/02/59/24/377025924.db2.gz FWTXBWKOTVAGDK-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP CCC[N@H+](C/C=C\c1ccccc1OC)CCC[NH+](C)C ZINC000558419289 377007250 /nfs/dbraw/zinc/00/72/50/377007250.db2.gz MSBROGNUMZUAEP-FLIBITNWSA-N 2 1 290.451 3.372 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246739541 377081711 /nfs/dbraw/zinc/08/17/11/377081711.db2.gz YMTDHRSYHCHEDZ-CKEIUWERSA-N 2 1 260.425 3.067 20 0 CGADMP C1=C[C@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000559792671 377098271 /nfs/dbraw/zinc/09/82/71/377098271.db2.gz DXPYUMQOVATTKA-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000246843656 377102366 /nfs/dbraw/zinc/10/23/66/377102366.db2.gz CGQLWCLHEBEQKA-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000246843656 377102370 /nfs/dbraw/zinc/10/23/70/377102370.db2.gz CGQLWCLHEBEQKA-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000247058701 377150080 /nfs/dbraw/zinc/15/00/80/377150080.db2.gz PKGQADNFTSVXSR-HBUWYVDXSA-N 2 1 283.419 3.351 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000247160691 377169406 /nfs/dbraw/zinc/16/94/06/377169406.db2.gz UDOYNXCWBOAJDV-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000247208911 377177738 /nfs/dbraw/zinc/17/77/38/377177738.db2.gz VPSOFGHLJSQZCO-RYRKJORJSA-N 2 1 290.451 3.082 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000247253896 377185246 /nfs/dbraw/zinc/18/52/46/377185246.db2.gz XIKSOJAJOUITGD-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC000247987176 377251711 /nfs/dbraw/zinc/25/17/11/377251711.db2.gz IYKJBAFAYYXXSS-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000561981691 377260028 /nfs/dbraw/zinc/26/00/28/377260028.db2.gz CXQMZAUWKMFVQA-ZBFHGGJFSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CCC(C)(C)CC1 ZINC000561981691 377260035 /nfs/dbraw/zinc/26/00/35/377260035.db2.gz CXQMZAUWKMFVQA-ZBFHGGJFSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CCC(C)(C)CC1 ZINC000561981691 377260044 /nfs/dbraw/zinc/26/00/44/377260044.db2.gz CXQMZAUWKMFVQA-ZBFHGGJFSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CCC(C)(C)CC1 ZINC000561981691 377260052 /nfs/dbraw/zinc/26/00/52/377260052.db2.gz CXQMZAUWKMFVQA-ZBFHGGJFSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000561981691 377260058 /nfs/dbraw/zinc/26/00/58/377260058.db2.gz CXQMZAUWKMFVQA-ZBFHGGJFSA-N 2 1 266.473 3.475 20 0 CGADMP COC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000247436694 377204623 /nfs/dbraw/zinc/20/46/23/377204623.db2.gz MTOCJPWEERAFTE-CVEARBPZSA-N 2 1 290.451 3.186 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000248451661 377323667 /nfs/dbraw/zinc/32/36/67/377323667.db2.gz GBIXQQSTKHPQEM-QXSJWSMHSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248451661 377323672 /nfs/dbraw/zinc/32/36/72/377323672.db2.gz GBIXQQSTKHPQEM-QXSJWSMHSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248451661 377323678 /nfs/dbraw/zinc/32/36/78/377323678.db2.gz GBIXQQSTKHPQEM-QXSJWSMHSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248451661 377323682 /nfs/dbraw/zinc/32/36/82/377323682.db2.gz GBIXQQSTKHPQEM-QXSJWSMHSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248451661 377323689 /nfs/dbraw/zinc/32/36/89/377323689.db2.gz GBIXQQSTKHPQEM-QXSJWSMHSA-N 2 1 252.446 3.227 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000161634276 542159414 /nfs/dbraw/zinc/15/94/14/542159414.db2.gz MCJSKRJSNUEATJ-KRWDZBQOSA-N 2 1 288.435 3.364 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000248160955 377274405 /nfs/dbraw/zinc/27/44/05/377274405.db2.gz SBUUFBOTMUAPGY-XJKCOSOUSA-N 2 1 294.414 3.043 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000248160955 377274410 /nfs/dbraw/zinc/27/44/10/377274410.db2.gz SBUUFBOTMUAPGY-XJKCOSOUSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000248181970 377276841 /nfs/dbraw/zinc/27/68/41/377276841.db2.gz WNZGKESAWODARL-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248181970 377276848 /nfs/dbraw/zinc/27/68/48/377276848.db2.gz WNZGKESAWODARL-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248181970 377276851 /nfs/dbraw/zinc/27/68/51/377276851.db2.gz WNZGKESAWODARL-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248181970 377276861 /nfs/dbraw/zinc/27/68/61/377276861.db2.gz WNZGKESAWODARL-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248181970 377276868 /nfs/dbraw/zinc/27/68/68/377276868.db2.gz WNZGKESAWODARL-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248399831 377308410 /nfs/dbraw/zinc/30/84/10/377308410.db2.gz KIRUOAJBNHFFLU-RCCFBDPRSA-N 2 1 272.436 3.287 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000248643165 377373854 /nfs/dbraw/zinc/37/38/54/377373854.db2.gz OZRCJDGEUUYADB-YNEHKIRRSA-N 2 1 282.453 3.280 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000562962761 377380652 /nfs/dbraw/zinc/38/06/52/377380652.db2.gz YASZMYZMOPWWOD-CZUORRHYSA-N 2 1 276.424 3.172 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000248741443 377391165 /nfs/dbraw/zinc/39/11/65/377391165.db2.gz ADNIUVCYKSSEFM-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000248741443 377391179 /nfs/dbraw/zinc/39/11/79/377391179.db2.gz ADNIUVCYKSSEFM-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000248741443 377391193 /nfs/dbraw/zinc/39/11/93/377391193.db2.gz ADNIUVCYKSSEFM-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587876 377357022 /nfs/dbraw/zinc/35/70/22/377357022.db2.gz YJIHWDSOQFSJPK-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587876 377357027 /nfs/dbraw/zinc/35/70/27/377357027.db2.gz YJIHWDSOQFSJPK-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587876 377357039 /nfs/dbraw/zinc/35/70/39/377357039.db2.gz YJIHWDSOQFSJPK-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000248882786 377421012 /nfs/dbraw/zinc/42/10/12/377421012.db2.gz RUVYYEIOXUDINA-GVDBMIGSSA-N 2 1 296.499 3.289 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249056339 377453602 /nfs/dbraw/zinc/45/36/02/377453602.db2.gz GUHMRTDHOIQNDB-YESZJQIVSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000249056339 377453612 /nfs/dbraw/zinc/45/36/12/377453612.db2.gz GUHMRTDHOIQNDB-YESZJQIVSA-N 2 1 264.457 3.252 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248796798 377403008 /nfs/dbraw/zinc/40/30/08/377403008.db2.gz JGSGDZTWRRGXJM-SWLSCSKDSA-N 2 1 282.378 3.444 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000563135857 377407052 /nfs/dbraw/zinc/40/70/52/377407052.db2.gz VEIKRQDDNMPAGX-UXHICEINSA-N 2 1 292.426 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000249088710 377459414 /nfs/dbraw/zinc/45/94/14/377459414.db2.gz GCOBOAIDOQJYEL-OQIJWPOYSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000249088710 377459418 /nfs/dbraw/zinc/45/94/18/377459418.db2.gz GCOBOAIDOQJYEL-OQIJWPOYSA-N 2 1 286.463 3.470 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000563442443 377468237 /nfs/dbraw/zinc/46/82/37/377468237.db2.gz JCWZISCDHSYBFZ-OALUTQOASA-N 2 1 298.474 3.473 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000341264127 377476946 /nfs/dbraw/zinc/47/69/46/377476946.db2.gz SSIXODPQRZSHMD-PBHICJAKSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000341264127 377476955 /nfs/dbraw/zinc/47/69/55/377476955.db2.gz SSIXODPQRZSHMD-PBHICJAKSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249337057 377492941 /nfs/dbraw/zinc/49/29/41/377492941.db2.gz ZMQBFFUCHIXEPG-KSTCHIGDSA-N 2 1 292.389 3.426 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@H]21 ZINC000249376506 377493623 /nfs/dbraw/zinc/49/36/23/377493623.db2.gz OESZVQSVCZOOCM-IXDOHACOSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccccc1CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000084677057 249010820 /nfs/dbraw/zinc/01/08/20/249010820.db2.gz PSNKLYDHDUEINP-UHFFFAOYSA-N 2 1 286.463 3.488 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC000249627964 377518684 /nfs/dbraw/zinc/51/86/84/377518684.db2.gz QWMHEIJFZFCFHJ-KBXCAEBGSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000090721562 249029525 /nfs/dbraw/zinc/02/95/25/249029525.db2.gz ZVGTZUQHRRNZMQ-KSSFIOAISA-N 2 1 268.404 3.412 20 0 CGADMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000163604140 542168218 /nfs/dbraw/zinc/16/82/18/542168218.db2.gz SSXCQMKPBNBIBT-BRSBDYLESA-N 2 1 270.420 3.007 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649238 249002851 /nfs/dbraw/zinc/00/28/51/249002851.db2.gz FKGJUSWVZBFYAF-GJZGRUSLSA-N 2 1 288.435 3.220 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649238 249002854 /nfs/dbraw/zinc/00/28/54/249002854.db2.gz FKGJUSWVZBFYAF-GJZGRUSLSA-N 2 1 288.435 3.220 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000037644009 249003108 /nfs/dbraw/zinc/00/31/08/249003108.db2.gz QEFLFZLNDXKJLO-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000166832033 542176049 /nfs/dbraw/zinc/17/60/49/542176049.db2.gz UZAKKBRPOMXFBH-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1c2cc(F)ccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422904775 249127581 /nfs/dbraw/zinc/12/75/81/249127581.db2.gz QPBGAGJMCLFABF-PBWFPOADSA-N 2 1 288.366 3.253 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000341388169 377543338 /nfs/dbraw/zinc/54/33/38/377543338.db2.gz VAPRBIGNILDHIP-HNNXBMFYSA-N 2 1 292.471 3.127 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250515321 377561194 /nfs/dbraw/zinc/56/11/94/377561194.db2.gz NAUUDIQFXUXWOR-JYJNAYRXSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250515321 377561202 /nfs/dbraw/zinc/56/12/02/377561202.db2.gz NAUUDIQFXUXWOR-JYJNAYRXSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+](C)CCCc1cncn1C ZINC000573860694 377586166 /nfs/dbraw/zinc/58/61/66/377586166.db2.gz ZQGOXVWSVSAUDF-GFCCVEGCSA-N 2 1 293.361 3.324 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC000178410436 542197365 /nfs/dbraw/zinc/19/73/65/542197365.db2.gz UQSJYHHATAECHX-KRWDZBQOSA-N 2 1 276.399 3.279 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000251773570 377597651 /nfs/dbraw/zinc/59/76/51/377597651.db2.gz KVEACMOBCXWVTB-KFAOIVLFSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000251773570 377597656 /nfs/dbraw/zinc/59/76/56/377597656.db2.gz KVEACMOBCXWVTB-KFAOIVLFSA-N 2 1 264.457 3.416 20 0 CGADMP CC[C@@H]1C[N@H+](CCNc2nccc3ccc(C)cc32)CCO1 ZINC000573958366 377598254 /nfs/dbraw/zinc/59/82/54/377598254.db2.gz GMZMYDRJQBWKPF-MRXNPFEDSA-N 2 1 299.418 3.066 20 0 CGADMP CC[C@@H]1C[N@@H+](CCNc2nccc3ccc(C)cc32)CCO1 ZINC000573958366 377598264 /nfs/dbraw/zinc/59/82/64/377598264.db2.gz GMZMYDRJQBWKPF-MRXNPFEDSA-N 2 1 299.418 3.066 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251769698 377598739 /nfs/dbraw/zinc/59/87/39/377598739.db2.gz DZOLVKUBGKPJSX-DGADGQDISA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC000251868342 377602983 /nfs/dbraw/zinc/60/29/83/377602983.db2.gz QJMQYKUGEWIUMP-VYDXJSESSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000252112672 377616276 /nfs/dbraw/zinc/61/62/76/377616276.db2.gz JTWLKOHHJOLUCX-PVAVHDDUSA-N 2 1 260.425 3.456 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000252112672 377616290 /nfs/dbraw/zinc/61/62/90/377616290.db2.gz JTWLKOHHJOLUCX-PVAVHDDUSA-N 2 1 260.425 3.456 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000574246943 377639387 /nfs/dbraw/zinc/63/93/87/377639387.db2.gz UTTALJGPMGGZBS-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000574246943 377639395 /nfs/dbraw/zinc/63/93/95/377639395.db2.gz UTTALJGPMGGZBS-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000574246943 377639398 /nfs/dbraw/zinc/63/93/98/377639398.db2.gz UTTALJGPMGGZBS-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H](CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000252684878 377649602 /nfs/dbraw/zinc/64/96/02/377649602.db2.gz HGATXRWZSLDYEA-UAGQMJEPSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000252684878 377649610 /nfs/dbraw/zinc/64/96/10/377649610.db2.gz HGATXRWZSLDYEA-UAGQMJEPSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252696249 377651552 /nfs/dbraw/zinc/65/15/52/377651552.db2.gz XPNNCCJRQKSMAK-XYJFISCASA-N 2 1 272.436 3.472 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252696249 377651561 /nfs/dbraw/zinc/65/15/61/377651561.db2.gz XPNNCCJRQKSMAK-XYJFISCASA-N 2 1 272.436 3.472 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252711741 377655671 /nfs/dbraw/zinc/65/56/71/377655671.db2.gz KLUBPHPXUDDATI-BVGQSLNGSA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252711741 377655674 /nfs/dbraw/zinc/65/56/74/377655674.db2.gz KLUBPHPXUDDATI-BVGQSLNGSA-N 2 1 288.435 3.002 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252874266 377666842 /nfs/dbraw/zinc/66/68/42/377666842.db2.gz VBXSSWSUWOEOPH-SZMVWBNQSA-N 2 1 288.435 3.033 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]21 ZINC000252871159 377666950 /nfs/dbraw/zinc/66/69/50/377666950.db2.gz SSZRTQBEYQAYSZ-DDBAPUKQSA-N 2 1 270.420 3.123 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000252889781 377669785 /nfs/dbraw/zinc/66/97/85/377669785.db2.gz FNUKAPAAFMPKKH-IUODEOHRSA-N 2 1 274.433 3.331 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000574801750 377710622 /nfs/dbraw/zinc/71/06/22/377710622.db2.gz MAKWLLUYFRCGLG-ZDUSSCGKSA-N 2 1 298.833 3.343 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261697505 377839694 /nfs/dbraw/zinc/83/96/94/377839694.db2.gz CDCJSDRFKKHJKS-DLBZAZTESA-N 2 1 258.409 3.132 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@H](CSc3ccccc3)C2)CC[NH2+]C1 ZINC000261681802 377838705 /nfs/dbraw/zinc/83/87/05/377838705.db2.gz AHOMJCLNZLWRNG-RDJZCZTQSA-N 2 1 290.476 3.100 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000261884127 377864152 /nfs/dbraw/zinc/86/41/52/377864152.db2.gz RNKBPAKAVPCSIV-XYPHTWIQSA-N 2 1 276.399 3.208 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@]2(C)CC[NH2+]C2)s1 ZINC000261906040 377865731 /nfs/dbraw/zinc/86/57/31/377865731.db2.gz WYHRNPKALHDMBC-IUODEOHRSA-N 2 1 281.469 3.006 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@]2(C)CC[NH2+]C2)s1 ZINC000261906040 377865737 /nfs/dbraw/zinc/86/57/37/377865737.db2.gz WYHRNPKALHDMBC-IUODEOHRSA-N 2 1 281.469 3.006 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2s1 ZINC000261977954 377873180 /nfs/dbraw/zinc/87/31/80/377873180.db2.gz QXXMWOXPRLVJGB-BXUZGUMPSA-N 2 1 289.448 3.164 20 0 CGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000261991357 377876221 /nfs/dbraw/zinc/87/62/21/377876221.db2.gz SKRITGWIMLOACV-KRWDZBQOSA-N 2 1 278.415 3.454 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@]1(C)CC[NH2+]C1 ZINC000261980372 377876403 /nfs/dbraw/zinc/87/64/03/377876403.db2.gz JDXJLMORYBKJTR-CYBMUJFWSA-N 2 1 272.845 3.223 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)s1)C[C@]1(C)CC[NH2+]C1 ZINC000261980372 377876407 /nfs/dbraw/zinc/87/64/07/377876407.db2.gz JDXJLMORYBKJTR-CYBMUJFWSA-N 2 1 272.845 3.223 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262010839 377878429 /nfs/dbraw/zinc/87/84/29/377878429.db2.gz MFZXANZEMCFNSY-COXVUDFISA-N 2 1 276.399 3.208 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000262035816 377882825 /nfs/dbraw/zinc/88/28/25/377882825.db2.gz XRYWVTSDXPBZEP-GFCCVEGCSA-N 2 1 266.816 3.073 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000262035816 377882832 /nfs/dbraw/zinc/88/28/32/377882832.db2.gz XRYWVTSDXPBZEP-GFCCVEGCSA-N 2 1 266.816 3.073 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC000262405564 377896862 /nfs/dbraw/zinc/89/68/62/377896862.db2.gz CRBSJWLWMNDRKQ-GDBMZVCRSA-N 2 1 298.430 3.265 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1C ZINC000261770179 377851268 /nfs/dbraw/zinc/85/12/68/377851268.db2.gz MGYNDMBOIMOMQL-INIZCTEOSA-N 2 1 278.465 3.066 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000343643787 378052012 /nfs/dbraw/zinc/05/20/12/378052012.db2.gz ZETPBFDBUVEBJL-LSDHHAIUSA-N 2 1 288.366 3.288 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000343643787 378052015 /nfs/dbraw/zinc/05/20/15/378052015.db2.gz ZETPBFDBUVEBJL-LSDHHAIUSA-N 2 1 288.366 3.288 20 0 CGADMP COCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268793827 378112683 /nfs/dbraw/zinc/11/26/83/378112683.db2.gz VWRVIKSFQCCMIT-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP COCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268793827 378112690 /nfs/dbraw/zinc/11/26/90/378112690.db2.gz VWRVIKSFQCCMIT-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000578944460 378115897 /nfs/dbraw/zinc/11/58/97/378115897.db2.gz CSQPQOXAJMRQFC-KBPBESRZSA-N 2 1 281.403 3.002 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)s1 ZINC000268811982 378119350 /nfs/dbraw/zinc/11/93/50/378119350.db2.gz MIEXKYONVMRVLL-LLVKDONJSA-N 2 1 263.410 3.166 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cc(F)ccc1F ZINC000268818275 378121178 /nfs/dbraw/zinc/12/11/78/378121178.db2.gz OKNKJKIFXTWPNB-OAHLLOKOSA-N 2 1 279.334 3.211 20 0 CGADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccsc43)CC[C@@H]21 ZINC000268834947 378126754 /nfs/dbraw/zinc/12/67/54/378126754.db2.gz NGDWHOBIKNBBRH-OCCSQVGLSA-N 2 1 287.432 3.217 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccsc43)CC[C@@H]21 ZINC000268834947 378126758 /nfs/dbraw/zinc/12/67/58/378126758.db2.gz NGDWHOBIKNBBRH-OCCSQVGLSA-N 2 1 287.432 3.217 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000268837791 378127111 /nfs/dbraw/zinc/12/71/11/378127111.db2.gz HESIKGUYNMUPBY-MRXNPFEDSA-N 2 1 285.391 3.085 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000268837787 378127694 /nfs/dbraw/zinc/12/76/94/378127694.db2.gz HESIKGUYNMUPBY-INIZCTEOSA-N 2 1 285.391 3.085 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268915101 378151359 /nfs/dbraw/zinc/15/13/59/378151359.db2.gz ZZNKLBZBDGXOPU-CQSZACIVSA-N 2 1 271.408 3.495 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000579370294 378155253 /nfs/dbraw/zinc/15/52/53/378155253.db2.gz DBQJOXDYTOYARU-LSDHHAIUSA-N 2 1 281.469 3.007 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268915100 378151930 /nfs/dbraw/zinc/15/19/30/378151930.db2.gz ZZNKLBZBDGXOPU-AWEZNQCLSA-N 2 1 271.408 3.495 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccoc1 ZINC000580024521 378216474 /nfs/dbraw/zinc/21/64/74/378216474.db2.gz UWMHDHDOMBMYPE-ZDUSSCGKSA-N 2 1 250.386 3.052 20 0 CGADMP CC[N@H+]1C[C@@H](C)N(c2ccnc3cc(F)ccc32)C[C@@H]1C ZINC000345190223 378218898 /nfs/dbraw/zinc/21/88/98/378218898.db2.gz MNTOESAIVFVDRP-QWHCGFSZSA-N 2 1 287.382 3.293 20 0 CGADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1C ZINC000345190223 378218908 /nfs/dbraw/zinc/21/89/08/378218908.db2.gz MNTOESAIVFVDRP-QWHCGFSZSA-N 2 1 287.382 3.293 20 0 CGADMP CC[N@@H+](CCCc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345193584 378219864 /nfs/dbraw/zinc/21/98/64/378219864.db2.gz WLLDVNIRYGSPJF-QGZVFWFLSA-N 2 1 278.415 3.222 20 0 CGADMP COc1ccccc1C[N@@H+](C)CCc1ccncc1C ZINC000579468391 378163197 /nfs/dbraw/zinc/16/31/97/378163197.db2.gz FBRDRXIKZKQHLM-UHFFFAOYSA-N 2 1 270.376 3.073 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000583257492 378315300 /nfs/dbraw/zinc/31/53/00/378315300.db2.gz QFESTCXMWCCLFD-RBUKOAKNSA-N 2 1 295.430 3.498 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000583816927 378348316 /nfs/dbraw/zinc/34/83/16/378348316.db2.gz PXUVWGQRDXDLBK-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000583816927 378348318 /nfs/dbraw/zinc/34/83/18/378348318.db2.gz PXUVWGQRDXDLBK-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000270683101 378387631 /nfs/dbraw/zinc/38/76/31/378387631.db2.gz VLQHGNCAJXEXCA-HNNXBMFYSA-N 2 1 273.380 3.402 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000270683101 378387637 /nfs/dbraw/zinc/38/76/37/378387637.db2.gz VLQHGNCAJXEXCA-HNNXBMFYSA-N 2 1 273.380 3.402 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000271161841 378467362 /nfs/dbraw/zinc/46/73/62/378467362.db2.gz JFBRKXZTPGHYPE-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP CC[C@H](C)C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346134037 378475466 /nfs/dbraw/zinc/47/54/66/378475466.db2.gz DZSFWMJPCFVHNU-ZDUSSCGKSA-N 2 1 272.396 3.054 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000271814281 378508124 /nfs/dbraw/zinc/50/81/24/378508124.db2.gz LMPRTXFLHBGYKE-UHFFFAOYSA-N 2 1 285.218 3.345 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1OC(F)F ZINC000271904038 378511953 /nfs/dbraw/zinc/51/19/53/378511953.db2.gz WDXPVUTWPDXBDD-GFCCVEGCSA-N 2 1 296.361 3.201 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000346491429 378594652 /nfs/dbraw/zinc/59/46/52/378594652.db2.gz OEDZATCPGVDTKB-QAPCUYQASA-N 2 1 290.451 3.184 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000346647171 378660907 /nfs/dbraw/zinc/66/09/07/378660907.db2.gz FVFPRVGWKDFQEV-KBPBESRZSA-N 2 1 299.393 3.057 20 0 CGADMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000346673341 378671191 /nfs/dbraw/zinc/67/11/91/378671191.db2.gz WVHMCFFXEOZVOF-UHFFFAOYSA-N 2 1 290.407 3.477 20 0 CGADMP CC[N@H+](Cc1cccc(Br)c1)CC(C)(C)[NH3+] ZINC000346816342 378690571 /nfs/dbraw/zinc/69/05/71/378690571.db2.gz AMLBMHOUPMHQFL-UHFFFAOYSA-N 2 1 285.229 3.008 20 0 CGADMP CC[N@@H+](Cc1cccc(Br)c1)CC(C)(C)[NH3+] ZINC000346816342 378690577 /nfs/dbraw/zinc/69/05/77/378690577.db2.gz AMLBMHOUPMHQFL-UHFFFAOYSA-N 2 1 285.229 3.008 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc2cccnc12 ZINC000346817819 378691162 /nfs/dbraw/zinc/69/11/62/378691162.db2.gz GCNYRHJIEHCXSD-RCCFBDPRSA-N 2 1 295.430 3.102 20 0 CGADMP c1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346859632 378695014 /nfs/dbraw/zinc/69/50/14/378695014.db2.gz SXKINRPSUNMFFC-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(CC2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000346904481 378695863 /nfs/dbraw/zinc/69/58/63/378695863.db2.gz LVVASDQMHIXZMY-ZWKOTPCHSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000347993639 378747475 /nfs/dbraw/zinc/74/74/75/378747475.db2.gz BYENCTFLCCJWKR-RDTXWAMCSA-N 2 1 299.418 3.258 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346990756 378703602 /nfs/dbraw/zinc/70/36/02/378703602.db2.gz SPXQCTCMXRLQAL-DZGCQCFKSA-N 2 1 278.827 3.129 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3ncccc23)CC[N@@H+]1C ZINC000638116205 378705081 /nfs/dbraw/zinc/70/50/81/378705081.db2.gz HZHXEIPYOMMDQJ-HOCLYGCPSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3ncccc23)CC[N@H+]1C ZINC000638116205 378705090 /nfs/dbraw/zinc/70/50/90/378705090.db2.gz HZHXEIPYOMMDQJ-HOCLYGCPSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3ncccc23)CC[NH+]1C ZINC000638116205 378705097 /nfs/dbraw/zinc/70/50/97/378705097.db2.gz HZHXEIPYOMMDQJ-HOCLYGCPSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3ncccc23)CC[NH+]1C ZINC000638116205 378705104 /nfs/dbraw/zinc/70/51/04/378705104.db2.gz HZHXEIPYOMMDQJ-HOCLYGCPSA-N 2 1 283.419 3.149 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2OC)[C@H](C)C1 ZINC000638114891 378705202 /nfs/dbraw/zinc/70/52/02/378705202.db2.gz ZJVWNAAAYOEJFN-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2OC)[C@H](C)C1 ZINC000638114891 378705210 /nfs/dbraw/zinc/70/52/10/378705210.db2.gz ZJVWNAAAYOEJFN-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2OC)[C@H](C)C1 ZINC000638114891 378705213 /nfs/dbraw/zinc/70/52/13/378705213.db2.gz ZJVWNAAAYOEJFN-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2OC)[C@H](C)C1 ZINC000638114891 378705220 /nfs/dbraw/zinc/70/52/20/378705220.db2.gz ZJVWNAAAYOEJFN-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CCc1cc(NC2CC[NH+](C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000272956742 378730334 /nfs/dbraw/zinc/73/03/34/378730334.db2.gz ZJMXMJPJVZHVOY-UHFFFAOYSA-N 2 1 276.428 3.022 20 0 CGADMP CSC1(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000347924565 378731745 /nfs/dbraw/zinc/73/17/45/378731745.db2.gz QEEIQAFDBRGBCV-AWEZNQCLSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc(F)c1N ZINC000638366046 378779712 /nfs/dbraw/zinc/77/97/12/378779712.db2.gz KHAKQXFIWMLLCY-CQSZACIVSA-N 2 1 293.430 3.152 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000348089285 378786008 /nfs/dbraw/zinc/78/60/08/378786008.db2.gz SXWWWMQLVYLOPI-CABCVRRESA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348249369 378863831 /nfs/dbraw/zinc/86/38/31/378863831.db2.gz WWDBXWHRBFVPER-AAEUAGOBSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348249369 378863841 /nfs/dbraw/zinc/86/38/41/378863841.db2.gz WWDBXWHRBFVPER-AAEUAGOBSA-N 2 1 289.345 3.244 20 0 CGADMP CC[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000348251884 378866449 /nfs/dbraw/zinc/86/64/49/378866449.db2.gz ZYEMWWGDXLAKFK-KZNAEPCWSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000348299940 378893451 /nfs/dbraw/zinc/89/34/51/378893451.db2.gz HEBQGBHCWXNVFF-DTZQCDIJSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000348299940 378893458 /nfs/dbraw/zinc/89/34/58/378893458.db2.gz HEBQGBHCWXNVFF-DTZQCDIJSA-N 2 1 294.389 3.283 20 0 CGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000638839037 378931850 /nfs/dbraw/zinc/93/18/50/378931850.db2.gz VJSBUZRZAYFXNV-DOTOQJQBSA-N 2 1 262.441 3.363 20 0 CGADMP COCC[N@@H+](CCCc1cnccc1C)[C@@H]1CC[C@@H](C)C1 ZINC000348414107 378947363 /nfs/dbraw/zinc/94/73/63/378947363.db2.gz UWNMQILEXVOGRZ-CRAIPNDOSA-N 2 1 290.451 3.460 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000275316537 378955232 /nfs/dbraw/zinc/95/52/32/378955232.db2.gz KMBJTNWECBDNFG-GOSISDBHSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111398 218125289 /nfs/dbraw/zinc/12/52/89/218125289.db2.gz QDOISWDHDLMHFB-BEFAXECRSA-N 2 1 295.430 3.450 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111398 218125290 /nfs/dbraw/zinc/12/52/90/218125290.db2.gz QDOISWDHDLMHFB-BEFAXECRSA-N 2 1 295.430 3.450 20 0 CGADMP COc1cc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C ZINC000639081902 379006287 /nfs/dbraw/zinc/00/62/87/379006287.db2.gz WCPCZGKDMPXYAF-HZPDHXFCSA-N 2 1 290.451 3.257 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(F)c1 ZINC000639082667 379007318 /nfs/dbraw/zinc/00/73/18/379007318.db2.gz VKDMGUQQDKXYRV-UHFFFAOYSA-N 2 1 276.399 3.194 20 0 CGADMP CCCCc1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1 ZINC000567742676 322175584 /nfs/dbraw/zinc/17/55/84/322175584.db2.gz PYATVTMJSALPMV-UHFFFAOYSA-N 2 1 281.469 3.047 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)CC1 ZINC000277159490 379085342 /nfs/dbraw/zinc/08/53/42/379085342.db2.gz KBJFTRVSLKOCJI-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP Cc1scc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000639178756 379098698 /nfs/dbraw/zinc/09/86/98/379098698.db2.gz OMWYADPGNBPNQL-ABAIWWIYSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000639178756 379098703 /nfs/dbraw/zinc/09/87/03/379098703.db2.gz OMWYADPGNBPNQL-ABAIWWIYSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000639178756 379098708 /nfs/dbraw/zinc/09/87/08/379098708.db2.gz OMWYADPGNBPNQL-ABAIWWIYSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000639178756 379098715 /nfs/dbraw/zinc/09/87/15/379098715.db2.gz OMWYADPGNBPNQL-ABAIWWIYSA-N 2 1 266.454 3.137 20 0 CGADMP CC[N@@H+](CCCc1cnccc1C)CCCN1CCCC1 ZINC000349344670 379240251 /nfs/dbraw/zinc/24/02/51/379240251.db2.gz IKOPTXYQUPUDIR-UHFFFAOYSA-N 3 1 289.467 3.130 20 0 CGADMP CC[N@H+](CCCc1cnccc1C)CCCN1CCCC1 ZINC000349344670 379240256 /nfs/dbraw/zinc/24/02/56/379240256.db2.gz IKOPTXYQUPUDIR-UHFFFAOYSA-N 3 1 289.467 3.130 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2cc(F)ccc2o1 ZINC000349411702 379273474 /nfs/dbraw/zinc/27/34/74/379273474.db2.gz AABDBNZCFXLTMN-UHFFFAOYSA-N 2 1 278.371 3.346 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2cc(F)ccc2o1 ZINC000349411702 379273481 /nfs/dbraw/zinc/27/34/81/379273481.db2.gz AABDBNZCFXLTMN-UHFFFAOYSA-N 2 1 278.371 3.346 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccccc1N(C)C ZINC000349417925 379276590 /nfs/dbraw/zinc/27/65/90/379276590.db2.gz NCWWCFIKXILYAM-UHFFFAOYSA-N 2 1 291.483 3.306 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccc1N(C)C ZINC000349417925 379276598 /nfs/dbraw/zinc/27/65/98/379276598.db2.gz NCWWCFIKXILYAM-UHFFFAOYSA-N 2 1 291.483 3.306 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)C/C=C/c1ccncc1 ZINC000349419456 379277245 /nfs/dbraw/zinc/27/72/45/379277245.db2.gz PUTYUWHVZNEVJA-VQHVLOKHSA-N 2 1 275.440 3.149 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)C/C=C/c1ccncc1 ZINC000349419456 379277257 /nfs/dbraw/zinc/27/72/57/379277257.db2.gz PUTYUWHVZNEVJA-VQHVLOKHSA-N 2 1 275.440 3.149 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000639379461 379339544 /nfs/dbraw/zinc/33/95/44/379339544.db2.gz OPHPJTONYXDLOV-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C(C)(C)c1ccccc1 ZINC000278863369 379407185 /nfs/dbraw/zinc/40/71/85/379407185.db2.gz BCJLPAQOOCCEBV-JKSUJKDBSA-N 2 1 297.446 3.401 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000279828831 379527639 /nfs/dbraw/zinc/52/76/39/379527639.db2.gz QCSZUYSORNKSDE-BQFCYCMXSA-N 2 1 288.410 3.420 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000640015716 379686809 /nfs/dbraw/zinc/68/68/09/379686809.db2.gz LXRWJWBPHAPGOM-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000280291681 379669137 /nfs/dbraw/zinc/66/91/37/379669137.db2.gz FFIJLNPPZUUPEC-KRWDZBQOSA-N 2 1 283.419 3.298 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000280291681 379669145 /nfs/dbraw/zinc/66/91/45/379669145.db2.gz FFIJLNPPZUUPEC-KRWDZBQOSA-N 2 1 283.419 3.298 20 0 CGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C2 ZINC000377413100 379676608 /nfs/dbraw/zinc/67/66/08/379676608.db2.gz QEHMDUBSOQKCTK-GVDBMIGSSA-N 2 1 295.430 3.268 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280626502 379750617 /nfs/dbraw/zinc/75/06/17/379750617.db2.gz LQATYINPSRNMPY-CZIWCDLHSA-N 2 1 299.393 3.323 20 0 CGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cccnc3C)C2)c1 ZINC000378349618 379810375 /nfs/dbraw/zinc/81/03/75/379810375.db2.gz KSQLFFMYBWDQAG-MRXNPFEDSA-N 2 1 296.418 3.027 20 0 CGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cccnc3C)C2)c1 ZINC000378349618 379810382 /nfs/dbraw/zinc/81/03/82/379810382.db2.gz KSQLFFMYBWDQAG-MRXNPFEDSA-N 2 1 296.418 3.027 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000347764844 218349091 /nfs/dbraw/zinc/34/90/91/218349091.db2.gz AUZQUAPXZKCGCB-INIZCTEOSA-N 2 1 289.810 3.357 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1F ZINC000352541081 379848117 /nfs/dbraw/zinc/84/81/17/379848117.db2.gz TYVFOJWBURGRDY-ABCZVMIZSA-N 2 1 280.362 3.181 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1F ZINC000352541081 379848121 /nfs/dbraw/zinc/84/81/21/379848121.db2.gz TYVFOJWBURGRDY-ABCZVMIZSA-N 2 1 280.362 3.181 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000352540011 379848407 /nfs/dbraw/zinc/84/84/07/379848407.db2.gz GCDIKKWAIFCLDM-AWEZNQCLSA-N 2 1 298.377 3.034 20 0 CGADMP Cc1ncsc1CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532365 379820617 /nfs/dbraw/zinc/82/06/17/379820617.db2.gz YGWKEAXMQDPEIN-UHFFFAOYSA-N 2 1 295.496 3.192 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)cn1 ZINC000282445980 379920885 /nfs/dbraw/zinc/92/08/85/379920885.db2.gz ZPECIIUQTNYFFZ-LZLYRXPVSA-N 2 1 296.418 3.244 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352742342 379933766 /nfs/dbraw/zinc/93/37/66/379933766.db2.gz NNHLXXMOVCWWDL-QWHCGFSZSA-N 2 1 281.469 3.263 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)s1 ZINC000352746566 379936608 /nfs/dbraw/zinc/93/66/08/379936608.db2.gz BXTLYTBOOXUJFA-HUUCEWRRSA-N 2 1 293.480 3.263 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cccc(Cl)c2)C1 ZINC000282652946 379962628 /nfs/dbraw/zinc/96/26/28/379962628.db2.gz MAIAMBANEUQYPP-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP CC(C)(C)c1cc[nH+]c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000641276035 379984294 /nfs/dbraw/zinc/98/42/94/379984294.db2.gz YVJNQQCOYNEDFD-UHFFFAOYSA-N 2 1 273.424 3.418 20 0 CGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1cccs1 ZINC000571414583 322298126 /nfs/dbraw/zinc/29/81/26/322298126.db2.gz TTWHZBNURMRMMS-UHFFFAOYSA-N 2 1 277.437 3.325 20 0 CGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1cccs1 ZINC000571414583 322298127 /nfs/dbraw/zinc/29/81/27/322298127.db2.gz TTWHZBNURMRMMS-UHFFFAOYSA-N 2 1 277.437 3.325 20 0 CGADMP C[NH+](C)[C@H]1CCCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641536238 380021716 /nfs/dbraw/zinc/02/17/16/380021716.db2.gz MBNMCYVCNQOWJR-HNNXBMFYSA-N 2 1 275.440 3.300 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@](C)(F)C1)CC[N@H+]1CC[C@@](C)(F)C1 ZINC000411416220 380146359 /nfs/dbraw/zinc/14/63/59/380146359.db2.gz CPBTXRREEDSKQO-PHZGNYQRSA-N 2 1 288.426 3.271 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@](C)(F)C1)CC[N@@H+]1CC[C@](C)(F)C1 ZINC000411416220 380146362 /nfs/dbraw/zinc/14/63/62/380146362.db2.gz CPBTXRREEDSKQO-PHZGNYQRSA-N 2 1 288.426 3.271 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@](C)(F)C1)CC[N@H+]1CC[C@](C)(F)C1 ZINC000411416220 380146366 /nfs/dbraw/zinc/14/63/66/380146366.db2.gz CPBTXRREEDSKQO-PHZGNYQRSA-N 2 1 288.426 3.271 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C[C@@H]1CC=CCC1)C1CCCCC1 ZINC000642627134 380182711 /nfs/dbraw/zinc/18/27/11/380182711.db2.gz AJQWNUIENHPVJP-WBVHZDCISA-N 2 1 264.457 3.443 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[C@@H]1C1CC1 ZINC000414184456 380199898 /nfs/dbraw/zinc/19/98/98/380199898.db2.gz FUUVJKXYVHILKC-QBPKDAKJSA-N 2 1 262.441 3.029 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000414176028 380200053 /nfs/dbraw/zinc/20/00/53/380200053.db2.gz HVTPQTIOTDJPME-PBHICJAKSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000285998388 380156988 /nfs/dbraw/zinc/15/69/88/380156988.db2.gz ILKDEYTZLVKLGX-CVEARBPZSA-N 2 1 275.440 3.163 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000414489921 380266400 /nfs/dbraw/zinc/26/64/00/380266400.db2.gz WLAZMCXNHGXHJC-HOCLYGCPSA-N 2 1 273.424 3.064 20 0 CGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643057857 380209080 /nfs/dbraw/zinc/20/90/80/380209080.db2.gz MLYWSGZHMZRJGQ-WBVHZDCISA-N 2 1 288.435 3.222 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c(C)c1 ZINC000643066677 380210904 /nfs/dbraw/zinc/21/09/04/380210904.db2.gz RQTBHBVKSQVFQM-BBWFWOEESA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c(C)c1 ZINC000643066677 380210909 /nfs/dbraw/zinc/21/09/09/380210909.db2.gz RQTBHBVKSQVFQM-BBWFWOEESA-N 2 1 272.436 3.357 20 0 CGADMP COC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353593382 380214974 /nfs/dbraw/zinc/21/49/74/380214974.db2.gz KUJDILWJNVLMJU-RGUZKJPTSA-N 2 1 294.483 3.044 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506538 380328386 /nfs/dbraw/zinc/32/83/86/380328386.db2.gz AJXUXWHIWCMTIA-HOTGVXAUSA-N 2 1 278.827 3.318 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221592 380368150 /nfs/dbraw/zinc/36/81/50/380368150.db2.gz HLEZUBNKZSXNBW-HOCLYGCPSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221592 380368154 /nfs/dbraw/zinc/36/81/54/380368154.db2.gz HLEZUBNKZSXNBW-HOCLYGCPSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221592 380368158 /nfs/dbraw/zinc/36/81/58/380368158.db2.gz HLEZUBNKZSXNBW-HOCLYGCPSA-N 2 1 294.414 3.009 20 0 CGADMP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)cc1 ZINC000414678998 380369385 /nfs/dbraw/zinc/36/93/85/380369385.db2.gz YWKOXIPGUHPCBR-DOTOQJQBSA-N 2 1 276.424 3.206 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)cc1 ZINC000414678998 380369392 /nfs/dbraw/zinc/36/93/92/380369392.db2.gz YWKOXIPGUHPCBR-DOTOQJQBSA-N 2 1 276.424 3.206 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414700794 380380206 /nfs/dbraw/zinc/38/02/06/380380206.db2.gz VNULRKVNJRTUOP-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](CCC(F)(F)F)CC2CC2)CC[NH2+]1 ZINC000414710365 380383638 /nfs/dbraw/zinc/38/36/38/380383638.db2.gz PZZUUCVOJJAOLD-WCQYABFASA-N 2 1 278.362 3.039 20 0 CGADMP CCCCc1nc(C[NH+]2CCC(CC[NH2+]C)CC2)cs1 ZINC000354294214 380389348 /nfs/dbraw/zinc/38/93/48/380389348.db2.gz ASAXMQSLQVECQU-UHFFFAOYSA-N 2 1 295.496 3.307 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414751236 380393083 /nfs/dbraw/zinc/39/30/83/380393083.db2.gz IIVVXZSDZXMBEH-CVEARBPZSA-N 2 1 260.425 3.123 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000643545910 380357962 /nfs/dbraw/zinc/35/79/62/380357962.db2.gz FKXCNRLHRDWXDX-QWHCGFSZSA-N 2 1 262.397 3.167 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)Cc1ccsc1 ZINC000414760861 380395345 /nfs/dbraw/zinc/39/53/45/380395345.db2.gz RQDVOXOFRHIWHW-RBSFLKMASA-N 2 1 280.481 3.389 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000414669344 380362201 /nfs/dbraw/zinc/36/22/01/380362201.db2.gz ZTNHQJTVJTXDPX-DZGCQCFKSA-N 2 1 278.465 3.358 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccsc1 ZINC000414811996 380423975 /nfs/dbraw/zinc/42/39/75/380423975.db2.gz KDXJPPRVZYZKJB-GXTWGEPZSA-N 2 1 254.443 3.176 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000414818578 380430585 /nfs/dbraw/zinc/43/05/85/380430585.db2.gz WCXMCFHSQXDQFZ-ZBFHGGJFSA-N 2 1 278.440 3.123 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414830068 380437156 /nfs/dbraw/zinc/43/71/56/380437156.db2.gz ALPJKXYXTYRGMN-KRWDZBQOSA-N 2 1 276.424 3.083 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2)CCCCC1 ZINC000414841791 380447938 /nfs/dbraw/zinc/44/79/38/380447938.db2.gz MBEOVBKPLLZYIE-UHFFFAOYSA-N 2 1 252.789 3.091 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCCC(F)(F)F ZINC000414841504 380448412 /nfs/dbraw/zinc/44/84/12/380448412.db2.gz NIEGJIGMWSBNMP-MNOVXSKESA-N 2 1 254.340 3.071 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)cs1)C1CCCCC1 ZINC000414851837 380453891 /nfs/dbraw/zinc/45/38/91/380453891.db2.gz PVDSOVCKCPTOTC-CYBMUJFWSA-N 2 1 272.845 3.399 20 0 CGADMP C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000414850846 380454497 /nfs/dbraw/zinc/45/44/97/380454497.db2.gz IOEBKGSBCRDVBG-MNOVXSKESA-N 2 1 287.234 3.471 20 0 CGADMP Clc1csc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774719 380399054 /nfs/dbraw/zinc/39/90/54/380399054.db2.gz FUXSQKPBOKTXLS-NEPJUHHUSA-N 2 1 284.856 3.223 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000414854060 380455868 /nfs/dbraw/zinc/45/58/68/380455868.db2.gz UEWFGGPVLLLMJT-GFCCVEGCSA-N 2 1 286.822 3.375 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414802359 380414647 /nfs/dbraw/zinc/41/46/47/380414647.db2.gz BHUOBEJMKLOTOW-AATRIKPKSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414922644 380489866 /nfs/dbraw/zinc/48/98/66/380489866.db2.gz GHBKEFHHURDULY-LAVFITLUSA-N 2 1 272.436 3.084 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000414936738 380495225 /nfs/dbraw/zinc/49/52/25/380495225.db2.gz ZJWWMSPBJYCGCV-DZJNRPSUSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414937446 380498332 /nfs/dbraw/zinc/49/83/32/380498332.db2.gz VRCMFRRRODIDAM-NQBHXWOUSA-N 2 1 286.872 3.310 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CCCC1 ZINC000415073113 380506614 /nfs/dbraw/zinc/50/66/14/380506614.db2.gz ZCMAAPIXKYVSLV-JYJNAYRXSA-N 2 1 250.430 3.062 20 0 CGADMP CC[N@@H+](Cc1cccn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289436347 197346585 /nfs/dbraw/zinc/34/65/85/197346585.db2.gz LLPBQLSWCUZYKE-UHFFFAOYSA-N 2 1 285.435 3.109 20 0 CGADMP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414859226 380460247 /nfs/dbraw/zinc/46/02/47/380460247.db2.gz AQIAVYLTAKPWOJ-RCCFBDPRSA-N 2 1 272.436 3.130 20 0 CGADMP CC(C)C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414861461 380461915 /nfs/dbraw/zinc/46/19/15/380461915.db2.gz FPKXAAGCBAIFEO-SJORKVTESA-N 2 1 260.425 3.158 20 0 CGADMP Clc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414872009 380467078 /nfs/dbraw/zinc/46/70/78/380467078.db2.gz FLKQGZJLXDLZAC-UHFFFAOYSA-N 2 1 289.810 3.005 20 0 CGADMP C[C@H](C[NH2+]CCC[NH2+]Cc1cccnc1)Cc1ccccc1 ZINC000414871883 380467201 /nfs/dbraw/zinc/46/72/01/380467201.db2.gz FENIOAOOJZWCCR-KRWDZBQOSA-N 2 1 297.446 3.030 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414874116 380468470 /nfs/dbraw/zinc/46/84/70/380468470.db2.gz YMJRKSXAECQCBH-RISCZKNCSA-N 2 1 286.341 3.151 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000414874814 380470685 /nfs/dbraw/zinc/47/06/85/380470685.db2.gz ZJWWMSPBJYCGCV-DKIMLUQUSA-N 2 1 272.436 3.300 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000354524373 380470977 /nfs/dbraw/zinc/47/09/77/380470977.db2.gz GOULPIBXGUXNQE-MRXNPFEDSA-N 2 1 296.418 3.198 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880646 380472875 /nfs/dbraw/zinc/47/28/75/380472875.db2.gz QUQYTLUQHGWLJD-QGZVFWFLSA-N 2 1 297.446 3.091 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314368 380591691 /nfs/dbraw/zinc/59/16/91/380591691.db2.gz YXECWNBBHHWVCO-VHDGCEQUSA-N 2 1 276.449 3.092 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000418128284 380707785 /nfs/dbraw/zinc/70/77/85/380707785.db2.gz SFULSALGZIGWGR-GZBFAFLISA-N 2 1 284.407 3.052 20 0 CGADMP C1C([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC12CCCCC2 ZINC000421332834 380877265 /nfs/dbraw/zinc/87/72/65/380877265.db2.gz MJARYOCEERMDLX-HZPDHXFCSA-N 2 1 262.441 3.316 20 0 CGADMP C1C([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC12CCCCC2 ZINC000421332834 380877275 /nfs/dbraw/zinc/87/72/75/380877275.db2.gz MJARYOCEERMDLX-HZPDHXFCSA-N 2 1 262.441 3.316 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000420323351 380848091 /nfs/dbraw/zinc/84/80/91/380848091.db2.gz SXYLQNNECCEUMX-GDBMZVCRSA-N 2 1 250.430 3.031 20 0 CGADMP Fc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420328505 380848498 /nfs/dbraw/zinc/84/84/98/380848498.db2.gz ZOMUUIKRQQUQSZ-YOEHRIQHSA-N 2 1 276.399 3.352 20 0 CGADMP Fc1ccc([C@@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420310449 380849193 /nfs/dbraw/zinc/84/91/93/380849193.db2.gz UZKHJCBWESGHNP-PBHICJAKSA-N 2 1 276.399 3.352 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CCCc2ccsc2)CC1 ZINC000360969240 381635354 /nfs/dbraw/zinc/63/53/54/381635354.db2.gz DIMGLOJJDIMVPT-UHFFFAOYSA-N 2 1 266.454 3.143 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CNCc1ccc(Cl)c(Cl)c1 ZINC000221164707 542288040 /nfs/dbraw/zinc/28/80/40/542288040.db2.gz PEKYJJDZWLRRLW-LLVKDONJSA-N 2 1 273.207 3.177 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000360949162 381633060 /nfs/dbraw/zinc/63/30/60/381633060.db2.gz ZHEDKORMSUMEJN-WMLDXEAASA-N 2 1 290.426 3.177 20 0 CGADMP Cc1sc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361345102 381709778 /nfs/dbraw/zinc/70/97/78/381709778.db2.gz HHSNVEVFFCZKHS-SGMGOOAPSA-N 2 1 295.496 3.393 20 0 CGADMP FCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000361530797 381788817 /nfs/dbraw/zinc/78/88/17/381788817.db2.gz LLFXMQMGVPXGCI-SFHVURJKSA-N 2 1 290.426 3.334 20 0 CGADMP FCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361530797 381788819 /nfs/dbraw/zinc/78/88/19/381788819.db2.gz LLFXMQMGVPXGCI-SFHVURJKSA-N 2 1 290.426 3.334 20 0 CGADMP FCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361530797 381788824 /nfs/dbraw/zinc/78/88/24/381788824.db2.gz LLFXMQMGVPXGCI-SFHVURJKSA-N 2 1 290.426 3.334 20 0 CGADMP C[N@H+](Cc1ccsc1Cl)CC1CC[NH+](C)CC1 ZINC000361556250 381802418 /nfs/dbraw/zinc/80/24/18/381802418.db2.gz GDBAKDSKRLJTRA-UHFFFAOYSA-N 2 1 272.845 3.175 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000362513263 382029141 /nfs/dbraw/zinc/02/91/41/382029141.db2.gz UQTCJWVKZXMBIX-GFCCVEGCSA-N 2 1 289.448 3.431 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]21 ZINC000230126135 542302808 /nfs/dbraw/zinc/30/28/08/542302808.db2.gz AKRZLXYDSFENEK-SOUVJXGZSA-N 2 1 280.362 3.183 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000245586802 542322269 /nfs/dbraw/zinc/32/22/69/542322269.db2.gz MRMZYQXXGDSNML-CHWSQXEVSA-N 2 1 281.469 3.367 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000245586802 542322272 /nfs/dbraw/zinc/32/22/72/542322272.db2.gz MRMZYQXXGDSNML-CHWSQXEVSA-N 2 1 281.469 3.367 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000248490275 542335230 /nfs/dbraw/zinc/33/52/30/542335230.db2.gz HXGNYKYYZYAVNT-GVRJEKJASA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2cc(C)cc(C)c2)CC[C@H]1[NH3+] ZINC000251526924 542346575 /nfs/dbraw/zinc/34/65/75/542346575.db2.gz AENITTUPISQXLI-SJLPKXTDSA-N 2 1 290.451 3.132 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1CCC2 ZINC000250228022 542342218 /nfs/dbraw/zinc/34/22/18/542342218.db2.gz YIGPJBOHRKHRFR-RBUKOAKNSA-N 2 1 284.447 3.139 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251023452 542345251 /nfs/dbraw/zinc/34/52/51/542345251.db2.gz WKIXFBTWXUUJKQ-XHSDSOJGSA-N 2 1 288.435 3.281 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251023452 542345254 /nfs/dbraw/zinc/34/52/54/542345254.db2.gz WKIXFBTWXUUJKQ-XHSDSOJGSA-N 2 1 288.435 3.281 20 0 CGADMP CSc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000280912653 195026511 /nfs/dbraw/zinc/02/65/11/195026511.db2.gz SGUVJXBUOPNUGI-ZFWWWQNUSA-N 2 1 278.465 3.023 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000353743420 220290905 /nfs/dbraw/zinc/29/09/05/220290905.db2.gz BTPYDULQQVZBMA-HNAYVOBHSA-N 2 1 286.463 3.480 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000353743420 220290910 /nfs/dbraw/zinc/29/09/10/220290910.db2.gz BTPYDULQQVZBMA-HNAYVOBHSA-N 2 1 286.463 3.480 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000353743420 220290913 /nfs/dbraw/zinc/29/09/13/220290913.db2.gz BTPYDULQQVZBMA-HNAYVOBHSA-N 2 1 286.463 3.480 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000353750626 220305696 /nfs/dbraw/zinc/30/56/96/220305696.db2.gz YHGBNFFQHWXBNY-BBRMVZONSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000353750626 220305699 /nfs/dbraw/zinc/30/56/99/220305699.db2.gz YHGBNFFQHWXBNY-BBRMVZONSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000353750626 220305704 /nfs/dbraw/zinc/30/57/04/220305704.db2.gz YHGBNFFQHWXBNY-BBRMVZONSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000353750626 220305706 /nfs/dbraw/zinc/30/57/06/220305706.db2.gz YHGBNFFQHWXBNY-BBRMVZONSA-N 2 1 264.388 3.130 20 0 CGADMP COC[C@@H](CC(C)C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000480613050 285218354 /nfs/dbraw/zinc/21/83/54/285218354.db2.gz LXEQZNIYVACEBC-IAGOWNOFSA-N 2 1 284.488 3.292 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]1C1CC1)Cc1ccccc1 ZINC000348100719 542515293 /nfs/dbraw/zinc/51/52/93/542515293.db2.gz GHOKJZGPRNGWJQ-ZWKOTPCHSA-N 2 1 272.436 3.287 20 0 CGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC000424265110 533303925 /nfs/dbraw/zinc/30/39/25/533303925.db2.gz VEOUAENHOCEUHS-GANOOXTDSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1C(F)(F)F ZINC000423322390 533360945 /nfs/dbraw/zinc/36/09/45/533360945.db2.gz IINQLAAUTUPAGB-SNVBAGLBSA-N 2 1 272.314 3.237 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000423259218 533512081 /nfs/dbraw/zinc/51/20/81/533512081.db2.gz DHXWNLINRYCSBS-WBMJQRKESA-N 2 1 264.388 3.384 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423361169 533547987 /nfs/dbraw/zinc/54/79/87/533547987.db2.gz MDRNTLWJOKQVGU-LBELIVKGSA-N 2 1 298.883 3.481 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000406133074 542628044 /nfs/dbraw/zinc/62/80/44/542628044.db2.gz XYEZSWHVRZOERN-GDBMZVCRSA-N 2 1 264.457 3.277 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000087708667 392225987 /nfs/dbraw/zinc/22/59/87/392225987.db2.gz HPVBCDSJWYEWFU-GVDBMIGSSA-N 2 1 294.483 3.188 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000361260448 392269640 /nfs/dbraw/zinc/26/96/40/392269640.db2.gz BXWZYTWOTHKUHJ-HZPDHXFCSA-N 2 1 284.513 3.468 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)c(C)c1 ZINC000105442705 392288886 /nfs/dbraw/zinc/28/88/86/392288886.db2.gz QYVDPBYBBBRXNZ-GFCCVEGCSA-N 2 1 275.371 3.065 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000246858352 131098258 /nfs/dbraw/zinc/09/82/58/131098258.db2.gz CKADZIAHNRZWTG-RYRKJORJSA-N 2 1 290.451 3.082 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250193337 131125483 /nfs/dbraw/zinc/12/54/83/131125483.db2.gz ANUWTPZFQAGCAC-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000250770163 131127161 /nfs/dbraw/zinc/12/71/61/131127161.db2.gz UYPZFKRFPCKLEX-STQMWFEESA-N 2 1 282.790 3.196 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000250770163 131127163 /nfs/dbraw/zinc/12/71/63/131127163.db2.gz UYPZFKRFPCKLEX-STQMWFEESA-N 2 1 282.790 3.196 20 0 CGADMP CCC1([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000453287951 542680811 /nfs/dbraw/zinc/68/08/11/542680811.db2.gz LEFCAGHLUVMCFN-HZPDHXFCSA-N 2 1 258.409 3.354 20 0 CGADMP CCC1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000453287951 542680814 /nfs/dbraw/zinc/68/08/14/542680814.db2.gz LEFCAGHLUVMCFN-HZPDHXFCSA-N 2 1 258.409 3.354 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000126541752 392442898 /nfs/dbraw/zinc/44/28/98/392442898.db2.gz GUCGDTRULUMNKI-RDTXWAMCSA-N 2 1 270.420 3.056 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000290462566 392448121 /nfs/dbraw/zinc/44/81/21/392448121.db2.gz WQBQFUAXCHTCAH-CKEIUWERSA-N 2 1 281.403 3.284 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000153430204 392516420 /nfs/dbraw/zinc/51/64/20/392516420.db2.gz MEEDLXWUHVYRAE-AEFFLSMTSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc[nH+]1 ZINC000302555019 392616603 /nfs/dbraw/zinc/61/66/03/392616603.db2.gz JKTMPFPUKSRMHD-IRXDYDNUSA-N 2 1 287.451 3.481 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000164785384 392607202 /nfs/dbraw/zinc/60/72/02/392607202.db2.gz HXANEHFAAUVIKF-JKIFEVAISA-N 2 1 292.442 3.422 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166373581 392608011 /nfs/dbraw/zinc/60/80/11/392608011.db2.gz IARJLIPSYANWSW-OLMNPRSZSA-N 2 1 292.442 3.465 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166373581 392608019 /nfs/dbraw/zinc/60/80/19/392608019.db2.gz IARJLIPSYANWSW-OLMNPRSZSA-N 2 1 292.442 3.465 20 0 CGADMP Cc1cccc(C2([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CCC2)c1 ZINC000647332675 392679420 /nfs/dbraw/zinc/67/94/20/392679420.db2.gz BXEBTXSVDYOFAL-WBVHZDCISA-N 2 1 272.436 3.447 20 0 CGADMP Cc1cccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CCC2)c1 ZINC000647332675 392679429 /nfs/dbraw/zinc/67/94/29/392679429.db2.gz BXEBTXSVDYOFAL-WBVHZDCISA-N 2 1 272.436 3.447 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000647288853 392639562 /nfs/dbraw/zinc/63/95/62/392639562.db2.gz RHRFJYBIZPBAGA-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)CCn1cccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000373014148 392657299 /nfs/dbraw/zinc/65/72/99/392657299.db2.gz KWROROIPGCAYPU-KRWDZBQOSA-N 2 1 291.483 3.450 20 0 CGADMP CC(C)CCn1cccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000373014148 392657306 /nfs/dbraw/zinc/65/73/06/392657306.db2.gz KWROROIPGCAYPU-KRWDZBQOSA-N 2 1 291.483 3.450 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480167 392735245 /nfs/dbraw/zinc/73/52/45/392735245.db2.gz DHYJAHFTMMIUDV-AEFFLSMTSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC[NH2+]C1 ZINC000647513687 392746374 /nfs/dbraw/zinc/74/63/74/392746374.db2.gz YOLPFHAJIPPSAZ-KSSFIOAISA-N 2 1 299.418 3.007 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000647531214 392752483 /nfs/dbraw/zinc/75/24/83/392752483.db2.gz HITZEXOUCIIGLY-UHFFFAOYSA-N 2 1 289.810 3.201 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542836 392759746 /nfs/dbraw/zinc/75/97/46/392759746.db2.gz COKGDFHPNRDVOW-JKSUJKDBSA-N 2 1 276.399 3.037 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543097 392760531 /nfs/dbraw/zinc/76/05/31/392760531.db2.gz HNTSZOZLGZUUBH-DLBZAZTESA-N 2 1 290.426 3.346 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCC2(C)C)[C@H](c2ccccc2)C1 ZINC000647344715 392695341 /nfs/dbraw/zinc/69/53/41/392695341.db2.gz XVPIZQPWBKBZTF-IKGGRYGDSA-N 2 1 272.436 3.110 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000179634517 392703670 /nfs/dbraw/zinc/70/36/70/392703670.db2.gz HIAMVVGWQWTMGC-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)[C@H](C)C2 ZINC000180095298 392707742 /nfs/dbraw/zinc/70/77/42/392707742.db2.gz WIORRIUXJWBBHJ-ZRGWGRIASA-N 2 1 284.447 3.302 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000647934574 392836167 /nfs/dbraw/zinc/83/61/67/392836167.db2.gz JHYCIYDEICMTLU-JLZZUVOBSA-N 2 1 276.399 3.262 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC000647707511 392786758 /nfs/dbraw/zinc/78/67/58/392786758.db2.gz UQFRASNMAZGULV-UONOGXRCSA-N 2 1 255.365 3.225 20 0 CGADMP Cc1ccccc1CCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814899 392808122 /nfs/dbraw/zinc/80/81/22/392808122.db2.gz KFWCAKISPVFSHH-UHFFFAOYSA-N 2 1 272.436 3.144 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)[NH+]1CCCC1 ZINC000510676667 392808198 /nfs/dbraw/zinc/80/81/98/392808198.db2.gz VOUITWIVEKEFHH-OAGGEKHMSA-N 2 1 270.436 3.369 20 0 CGADMP C[N@@H+](CCC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762801 392816872 /nfs/dbraw/zinc/81/68/72/392816872.db2.gz ZIGGELQIEKONLV-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CCC1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762801 392816878 /nfs/dbraw/zinc/81/68/78/392816878.db2.gz ZIGGELQIEKONLV-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CCC1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762801 392816883 /nfs/dbraw/zinc/81/68/83/392816883.db2.gz ZIGGELQIEKONLV-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP FC(F)(F)c1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647874829 392820172 /nfs/dbraw/zinc/82/01/72/392820172.db2.gz BSSRZNWMNJGCHS-ZDUSSCGKSA-N 2 1 298.352 3.279 20 0 CGADMP Clc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647876338 392820533 /nfs/dbraw/zinc/82/05/33/392820533.db2.gz WIPGIFYDFZSQDE-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP C[N@H+](CCCc1ccccc1)CCCC1CC[NH2+]CC1 ZINC000647877417 392821208 /nfs/dbraw/zinc/82/12/08/392821208.db2.gz POPYBAKNTLDBPF-UHFFFAOYSA-N 2 1 274.452 3.331 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647874848 392821296 /nfs/dbraw/zinc/82/12/96/392821296.db2.gz DEPPOQGRBDUSRT-CHWSQXEVSA-N 2 1 278.827 3.475 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647874848 392821302 /nfs/dbraw/zinc/82/13/02/392821302.db2.gz DEPPOQGRBDUSRT-CHWSQXEVSA-N 2 1 278.827 3.475 20 0 CGADMP CCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000647886813 392826231 /nfs/dbraw/zinc/82/62/31/392826231.db2.gz XMWYQYCEULDDKY-HZPDHXFCSA-N 2 1 260.425 3.459 20 0 CGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647886668 392826689 /nfs/dbraw/zinc/82/66/89/392826689.db2.gz GXBQLOJLVYCIJK-RYRKJORJSA-N 2 1 272.436 3.378 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)CC2 ZINC000647903044 392829437 /nfs/dbraw/zinc/82/94/37/392829437.db2.gz FGYAQKYOKZBMGH-ZTFGCOKTSA-N 2 1 288.410 3.277 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519705868 392884990 /nfs/dbraw/zinc/88/49/90/392884990.db2.gz JPEWOGKMOJYUHQ-GOSISDBHSA-N 2 1 284.403 3.317 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)CCN1C ZINC000338305263 392906565 /nfs/dbraw/zinc/90/65/65/392906565.db2.gz LJCFVEQAFAHQJK-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC000338305263 392906571 /nfs/dbraw/zinc/90/65/71/392906571.db2.gz LJCFVEQAFAHQJK-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC(F)(F)C2)CC[N@H+]1C ZINC000338305263 392906577 /nfs/dbraw/zinc/90/65/77/392906577.db2.gz LJCFVEQAFAHQJK-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)CC[NH+]1C ZINC000338305263 392906586 /nfs/dbraw/zinc/90/65/86/392906586.db2.gz LJCFVEQAFAHQJK-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)CC[NH+]1C ZINC000338305263 392906593 /nfs/dbraw/zinc/90/65/93/392906593.db2.gz LJCFVEQAFAHQJK-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP FC1(F)CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336797372 392869245 /nfs/dbraw/zinc/86/92/45/392869245.db2.gz ZQSMOVOURQWKFU-IHRRRGAJSA-N 2 1 272.383 3.028 20 0 CGADMP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc2[nH+]1 ZINC000338749203 392926659 /nfs/dbraw/zinc/92/66/59/392926659.db2.gz YKPQZQZGTAVFES-LJQANCHMSA-N 2 1 295.430 3.465 20 0 CGADMP CC(C)C1CCC(C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392188663 392930563 /nfs/dbraw/zinc/93/05/63/392930563.db2.gz JDYGMTMCWIYHPE-UHFFFAOYSA-N 2 1 264.457 3.300 20 0 CGADMP CC[C@H]1CCC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000394571536 392938377 /nfs/dbraw/zinc/93/83/77/392938377.db2.gz PEXWXWJZSBZFJA-UIJGJVKASA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000401568494 392950283 /nfs/dbraw/zinc/95/02/83/392950283.db2.gz CORHBPTYLFOTRC-ARFHVFGLSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]1CC(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)C[C@H](C)C1 ZINC000461359910 392963912 /nfs/dbraw/zinc/96/39/12/392963912.db2.gz GRHKIMPLAWQEHF-BFYDXBDKSA-N 2 1 266.473 3.332 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@@H]1c1ccccc1 ZINC000559856693 542757771 /nfs/dbraw/zinc/75/77/71/542757771.db2.gz TVVAPEBIBBAZCZ-CBBWQLFWSA-N 2 1 280.362 3.065 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@@H]1c1ccccc1 ZINC000559856693 542757775 /nfs/dbraw/zinc/75/77/75/542757775.db2.gz TVVAPEBIBBAZCZ-CBBWQLFWSA-N 2 1 280.362 3.065 20 0 CGADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340312103 392970680 /nfs/dbraw/zinc/97/06/80/392970680.db2.gz MWRADOYIQDSIPH-MOPGFXCFSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340312103 392970686 /nfs/dbraw/zinc/97/06/86/392970686.db2.gz MWRADOYIQDSIPH-MOPGFXCFSA-N 2 1 295.430 3.315 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648403554 393000104 /nfs/dbraw/zinc/00/01/04/393000104.db2.gz OBUSCCARZOHCAO-SFHVURJKSA-N 2 1 272.436 3.008 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](CC)C2)C1 ZINC000648452035 393023676 /nfs/dbraw/zinc/02/36/76/393023676.db2.gz BQDPPAHLDZZQNI-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](CC)C2)C1 ZINC000648452035 393023680 /nfs/dbraw/zinc/02/36/80/393023680.db2.gz BQDPPAHLDZZQNI-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414991752 393082331 /nfs/dbraw/zinc/08/23/31/393082331.db2.gz AZHFOXZWPRDDLS-YNEHKIRRSA-N 2 1 262.388 3.036 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000467520116 393103907 /nfs/dbraw/zinc/10/39/07/393103907.db2.gz HJSJGEYKEMYQLC-HNNXBMFYSA-N 2 1 278.415 3.347 20 0 CGADMP Cc1cc([C@H]2CCC[N@@H+]2CCC[NH3+])ccc1Br ZINC000414760961 393054131 /nfs/dbraw/zinc/05/41/31/393054131.db2.gz ZMHSENQGAAZZDG-CQSZACIVSA-N 2 1 297.240 3.243 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2CCC[NH3+])ccc1Br ZINC000414760961 393054135 /nfs/dbraw/zinc/05/41/35/393054135.db2.gz ZMHSENQGAAZZDG-CQSZACIVSA-N 2 1 297.240 3.243 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC000414748078 393054460 /nfs/dbraw/zinc/05/44/60/393054460.db2.gz VYHZZGIQXNABNF-CHWSQXEVSA-N 2 1 278.827 3.086 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038131 393106857 /nfs/dbraw/zinc/10/68/57/393106857.db2.gz HJVCADZVKZRLHZ-WBVHZDCISA-N 2 1 290.476 3.373 20 0 CGADMP CCCCOc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414954941 393062885 /nfs/dbraw/zinc/06/28/85/393062885.db2.gz SYXSJTVFXTUXSM-HOCLYGCPSA-N 2 1 276.424 3.096 20 0 CGADMP COCCC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000246916105 393066561 /nfs/dbraw/zinc/06/65/61/393066561.db2.gz GMLXPWPKKAIOBD-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)oc2cc1C ZINC000414959180 393066671 /nfs/dbraw/zinc/06/66/71/393066671.db2.gz PVDQYOFIWHGDJD-BBRMVZONSA-N 2 1 272.392 3.137 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415035656 393107364 /nfs/dbraw/zinc/10/73/64/393107364.db2.gz DZNQKYDYFVGARG-NVXWUHKLSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc2cccnc12 ZINC000415049408 393112800 /nfs/dbraw/zinc/11/28/00/393112800.db2.gz AKTOTWANRQPUKI-HNNXBMFYSA-N 2 1 271.408 3.006 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000415054036 393114167 /nfs/dbraw/zinc/11/41/67/393114167.db2.gz LESHIDLMELIEEZ-CQSZACIVSA-N 2 1 262.422 3.364 20 0 CGADMP CC[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000348251883 393118456 /nfs/dbraw/zinc/11/84/56/393118456.db2.gz ZYEMWWGDXLAKFK-KURKYZTESA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC(C)(C)C1 ZINC000252674099 393126032 /nfs/dbraw/zinc/12/60/32/393126032.db2.gz OSJKIPMXQHZNPH-WCVJEAGWSA-N 2 1 264.457 3.418 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415066041 393126529 /nfs/dbraw/zinc/12/65/29/393126529.db2.gz IMPFJXXMWAVZSJ-UKRRQHHQSA-N 2 1 278.465 3.071 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000415082089 393137070 /nfs/dbraw/zinc/13/70/70/393137070.db2.gz LGEVOMQBDCAHJI-XHDPSFHLSA-N 2 1 266.816 3.290 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415087327 393138443 /nfs/dbraw/zinc/13/84/43/393138443.db2.gz SSSRDXUCJMPURZ-BLLLJJGKSA-N 2 1 282.378 3.395 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000415088778 393140357 /nfs/dbraw/zinc/14/03/57/393140357.db2.gz XXLQTVFSYAOGJA-XDNAFOTISA-N 2 1 288.435 3.027 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCSc2ccccc21 ZINC000415095917 393142700 /nfs/dbraw/zinc/14/27/00/393142700.db2.gz AAUMVAOTLKMQMQ-JSGCOSHPSA-N 2 1 264.438 3.187 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415129702 393152765 /nfs/dbraw/zinc/15/27/65/393152765.db2.gz PLOBGKDDRHYJCD-NVXWUHKLSA-N 2 1 290.451 3.282 20 0 CGADMP COc1cccc2c(N[C@@H](C)CC[NH+](C)C)c(C)c[nH+]c12 ZINC000468698693 393158572 /nfs/dbraw/zinc/15/85/72/393158572.db2.gz NXRDXHAIOSSISI-ZDUSSCGKSA-N 2 1 287.407 3.304 20 0 CGADMP CC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353400504 393221103 /nfs/dbraw/zinc/22/11/03/393221103.db2.gz GLFHQWIJSCTJPJ-NEADZQPHSA-N 2 1 250.430 3.028 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000469873158 393221944 /nfs/dbraw/zinc/22/19/44/393221944.db2.gz YGEHUOZUZSMHNF-HNNXBMFYSA-N 2 1 278.415 3.427 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000469873158 393221950 /nfs/dbraw/zinc/22/19/50/393221950.db2.gz YGEHUOZUZSMHNF-HNNXBMFYSA-N 2 1 278.415 3.427 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646134799 393222428 /nfs/dbraw/zinc/22/24/28/393222428.db2.gz RKLPLBLEKSBOLA-OAHLLOKOSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646134799 393222431 /nfs/dbraw/zinc/22/24/31/393222431.db2.gz RKLPLBLEKSBOLA-OAHLLOKOSA-N 2 1 291.439 3.005 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000648870689 393278941 /nfs/dbraw/zinc/27/89/41/393278941.db2.gz NOXSOHIJIWWTEF-OAHLLOKOSA-N 2 1 288.435 3.017 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000648870689 393278946 /nfs/dbraw/zinc/27/89/46/393278946.db2.gz NOXSOHIJIWWTEF-OAHLLOKOSA-N 2 1 288.435 3.017 20 0 CGADMP CC(C)[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000475197875 393381624 /nfs/dbraw/zinc/38/16/24/393381624.db2.gz ZCQDUWJUJVHKJJ-SQNIBIBYSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000475197875 393381629 /nfs/dbraw/zinc/38/16/29/393381629.db2.gz ZCQDUWJUJVHKJJ-SQNIBIBYSA-N 2 1 296.499 3.292 20 0 CGADMP CC1(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000475355386 393396093 /nfs/dbraw/zinc/39/60/93/393396093.db2.gz VSWIMRZTYHVDBQ-HDICACEKSA-N 2 1 284.447 3.240 20 0 CGADMP CC1(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000475355386 393396097 /nfs/dbraw/zinc/39/60/97/393396097.db2.gz VSWIMRZTYHVDBQ-HDICACEKSA-N 2 1 284.447 3.240 20 0 CGADMP CC1(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000475355386 393396100 /nfs/dbraw/zinc/39/61/00/393396100.db2.gz VSWIMRZTYHVDBQ-HDICACEKSA-N 2 1 284.447 3.240 20 0 CGADMP Fc1ccc(CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000356163992 393364418 /nfs/dbraw/zinc/36/44/18/393364418.db2.gz LJPDGIFINLXCNG-GFCCVEGCSA-N 2 1 296.817 3.096 20 0 CGADMP CC(C)[NH+](CC[NH2+]C1CCC(F)(F)CC1)C(C)C ZINC000647167457 393365583 /nfs/dbraw/zinc/36/55/83/393365583.db2.gz GFENBGHGQQMKRD-UHFFFAOYSA-N 2 1 262.388 3.273 20 0 CGADMP C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248903 393412704 /nfs/dbraw/zinc/41/27/04/393412704.db2.gz NQVHNIIHEFBTGN-RANZSIQMSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC000420383673 393480929 /nfs/dbraw/zinc/48/09/29/393480929.db2.gz ZVNIADMHJCOELH-UHFFFAOYSA-N 2 1 260.425 3.125 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000420397671 393481841 /nfs/dbraw/zinc/48/18/41/393481841.db2.gz XUOOLOJWPQWEKJ-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000420397671 393481848 /nfs/dbraw/zinc/48/18/48/393481848.db2.gz XUOOLOJWPQWEKJ-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP [NH3+][C@H]1CCC[C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000420279035 393448223 /nfs/dbraw/zinc/44/82/23/393448223.db2.gz JNBBGCIVIPAFSO-YPMHNXCESA-N 2 1 289.810 3.240 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294560 393451629 /nfs/dbraw/zinc/45/16/29/393451629.db2.gz BDYNCKXVEGKXCX-NVXWUHKLSA-N 2 1 288.435 3.222 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294562 393451665 /nfs/dbraw/zinc/45/16/65/393451665.db2.gz BDYNCKXVEGKXCX-WBVHZDCISA-N 2 1 288.435 3.222 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420298103 393454217 /nfs/dbraw/zinc/45/42/17/393454217.db2.gz GSLHKKKCZIKGDK-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)C[C@@H]1CCCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301010 393455085 /nfs/dbraw/zinc/45/50/85/393455085.db2.gz KWVMWFZPZHLCCD-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420299557 393455991 /nfs/dbraw/zinc/45/59/91/393455991.db2.gz GVIGEIMYWYRBPB-YJBOKZPZSA-N 2 1 288.435 3.222 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304329 393457037 /nfs/dbraw/zinc/45/70/37/393457037.db2.gz ODQWEYIKZVJENX-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000420322238 393465249 /nfs/dbraw/zinc/46/52/49/393465249.db2.gz SGLKPQBPMIOHOO-AWEZNQCLSA-N 2 1 254.377 3.133 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000420322238 393465253 /nfs/dbraw/zinc/46/52/53/393465253.db2.gz SGLKPQBPMIOHOO-AWEZNQCLSA-N 2 1 254.377 3.133 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420321355 393465398 /nfs/dbraw/zinc/46/53/98/393465398.db2.gz RAYPCWZHQUFNDE-KBPBESRZSA-N 2 1 295.496 3.396 20 0 CGADMP CSc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420321815 393466773 /nfs/dbraw/zinc/46/67/73/393466773.db2.gz RVGHKRFHZOYVSR-YIONKMFJSA-N 2 1 276.449 3.123 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420321815 393466776 /nfs/dbraw/zinc/46/67/76/393466776.db2.gz RVGHKRFHZOYVSR-YIONKMFJSA-N 2 1 276.449 3.123 20 0 CGADMP CC(C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420321217 393466789 /nfs/dbraw/zinc/46/67/89/393466789.db2.gz QXXZIUPWXJCKJS-INIZCTEOSA-N 2 1 260.425 3.144 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]([C@@H](C)C2CC2)C2CC2)cc1 ZINC000420326779 393468558 /nfs/dbraw/zinc/46/85/58/393468558.db2.gz XQMAIZNVKSHAJV-XJKSGUPXSA-N 2 1 288.435 3.000 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359007 393472521 /nfs/dbraw/zinc/47/25/21/393472521.db2.gz FLNSRQXOBNQKLS-SJORKVTESA-N 2 1 258.409 3.213 20 0 CGADMP C(C[N@H+]1CCCC2(CCCC2)C1)C1CC[NH2+]CC1 ZINC000420353473 393473218 /nfs/dbraw/zinc/47/32/18/393473218.db2.gz BTCNYHWMQQDMQR-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000420367647 393476886 /nfs/dbraw/zinc/47/68/86/393476886.db2.gz MZWIYRVJKRHZLJ-KFZJALRRSA-N 2 1 258.409 3.040 20 0 CGADMP C[NH2+]CCC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000420372696 393476962 /nfs/dbraw/zinc/47/69/62/393476962.db2.gz LTKZQMPYZWVDCR-ZBFHGGJFSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000420375795 393478140 /nfs/dbraw/zinc/47/81/40/393478140.db2.gz PSFTVRGXVCUZAB-APWZRJJASA-N 2 1 280.415 3.284 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CC1(C)C ZINC000647249107 393412468 /nfs/dbraw/zinc/41/24/68/393412468.db2.gz BNCBFVHPTHUBCC-NRSFXHEJSA-N 2 1 286.463 3.356 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000420403910 393484523 /nfs/dbraw/zinc/48/45/23/393484523.db2.gz LOFZCJSXNKNHCB-IINYFYTJSA-N 2 1 252.789 3.118 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CCCc3sccc31)C2 ZINC000279014134 285537720 /nfs/dbraw/zinc/53/77/20/285537720.db2.gz UADZIUGIOBKOMX-JSGCOSHPSA-N 2 1 287.432 3.174 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000649740977 393569840 /nfs/dbraw/zinc/56/98/40/393569840.db2.gz ZHPRGEVIFCKOCV-BBRMVZONSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1F ZINC000649740977 393569845 /nfs/dbraw/zinc/56/98/45/393569845.db2.gz ZHPRGEVIFCKOCV-BBRMVZONSA-N 2 1 264.388 3.351 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000348267616 289006686 /nfs/dbraw/zinc/00/66/86/289006686.db2.gz BNHHAFAVTWVWPP-JHJVBQTASA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000348267616 289006688 /nfs/dbraw/zinc/00/66/88/289006688.db2.gz BNHHAFAVTWVWPP-JHJVBQTASA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000348267616 289006690 /nfs/dbraw/zinc/00/66/90/289006690.db2.gz BNHHAFAVTWVWPP-JHJVBQTASA-N 2 1 278.362 3.134 20 0 CGADMP C[N@H+](Cc1ccccc1Oc1cccnc1)C1CC[NH2+]CC1 ZINC000430605331 393580572 /nfs/dbraw/zinc/58/05/72/393580572.db2.gz SGPHATUZBZNLKJ-UHFFFAOYSA-N 2 1 297.402 3.058 20 0 CGADMP C[N@@H+](Cc1ccccc1Oc1cccnc1)C1CC[NH2+]CC1 ZINC000430605331 393580580 /nfs/dbraw/zinc/58/05/80/393580580.db2.gz SGPHATUZBZNLKJ-UHFFFAOYSA-N 2 1 297.402 3.058 20 0 CGADMP C[N@@H+](CCCOc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000430616113 393581595 /nfs/dbraw/zinc/58/15/95/393581595.db2.gz DRWFNTMCESAYAI-UHFFFAOYSA-N 2 1 298.430 3.293 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCSCc2ccccc2)CC1 ZINC000430725933 393590588 /nfs/dbraw/zinc/59/05/88/393590588.db2.gz YUIOLQOZHXSOOM-UHFFFAOYSA-N 2 1 292.492 3.336 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCSCc2ccccc2)CC1 ZINC000430725933 393590594 /nfs/dbraw/zinc/59/05/94/393590594.db2.gz YUIOLQOZHXSOOM-UHFFFAOYSA-N 2 1 292.492 3.336 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090765 393632245 /nfs/dbraw/zinc/63/22/45/393632245.db2.gz OHCQVQSVLFXEEO-DZGCQCFKSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090765 393632249 /nfs/dbraw/zinc/63/22/49/393632249.db2.gz OHCQVQSVLFXEEO-DZGCQCFKSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090765 393632251 /nfs/dbraw/zinc/63/22/51/393632251.db2.gz OHCQVQSVLFXEEO-DZGCQCFKSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423446494 393667672 /nfs/dbraw/zinc/66/76/72/393667672.db2.gz OEJUICSYDFOSEJ-UPFKWVMWSA-N 2 1 273.207 3.306 20 0 CGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000423489494 393671213 /nfs/dbraw/zinc/67/12/13/393671213.db2.gz XGPIOTRXTNYJNP-KBPBESRZSA-N 2 1 286.410 3.324 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OC)cc1 ZINC000423529207 393672049 /nfs/dbraw/zinc/67/20/49/393672049.db2.gz OEEPYBYURZUJFI-IRXDYDNUSA-N 2 1 276.424 3.253 20 0 CGADMP Cc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c(C)c[nH+]c12 ZINC000443428439 393756602 /nfs/dbraw/zinc/75/66/02/393756602.db2.gz ONWJDWYEDVAEHZ-HZPDHXFCSA-N 2 1 295.430 3.312 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000433234994 393701463 /nfs/dbraw/zinc/70/14/63/393701463.db2.gz UIQDFLCXZQPVRV-UONOGXRCSA-N 2 1 264.457 3.418 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000438209804 393721302 /nfs/dbraw/zinc/72/13/02/393721302.db2.gz DZVVSPHWIWUPPU-STQMWFEESA-N 2 1 280.378 3.427 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000438209804 393721303 /nfs/dbraw/zinc/72/13/03/393721303.db2.gz DZVVSPHWIWUPPU-STQMWFEESA-N 2 1 280.378 3.427 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[N@@H+]1C ZINC000449170392 393876115 /nfs/dbraw/zinc/87/61/15/393876115.db2.gz ILFWXZRVYBUYQD-VUGNNNGISA-N 2 1 294.483 3.329 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[N@H+]1C ZINC000449170392 393876118 /nfs/dbraw/zinc/87/61/18/393876118.db2.gz ILFWXZRVYBUYQD-VUGNNNGISA-N 2 1 294.483 3.329 20 0 CGADMP Clc1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999410 542834834 /nfs/dbraw/zinc/83/48/34/542834834.db2.gz DWTXNBPBNYNEPX-ZDUSSCGKSA-N 2 1 264.800 3.104 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC1=CCCCC1 ZINC000450593643 394027678 /nfs/dbraw/zinc/02/76/78/394027678.db2.gz BPKHCJKAQJSNMD-KZNAEPCWSA-N 2 1 292.467 3.060 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCCC1(F)F ZINC000450905329 394038632 /nfs/dbraw/zinc/03/86/32/394038632.db2.gz NSLOZPIYIMQABT-AWEZNQCLSA-N 2 1 274.399 3.230 20 0 CGADMP c1[nH+]c(C2CC[NH+](C3CCCC3)CC2)n2c1CCCC2 ZINC000334573845 285573808 /nfs/dbraw/zinc/57/38/08/285573808.db2.gz RSWHDUNTXZFBFX-UHFFFAOYSA-N 2 1 273.424 3.341 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453058657 394156373 /nfs/dbraw/zinc/15/63/73/394156373.db2.gz PIFJAFUKVHQPLS-OKZBNKHCSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228743 394212712 /nfs/dbraw/zinc/21/27/12/394212712.db2.gz BYMUYTSMDIHTQV-MZPVMMEZSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228743 394212716 /nfs/dbraw/zinc/21/27/16/394212716.db2.gz BYMUYTSMDIHTQV-MZPVMMEZSA-N 2 1 294.389 3.272 20 0 CGADMP Fc1ccc(C[C@H]2CCC[N@H+]2Cc2cnc3n2CCC3)cc1 ZINC000667543056 542887137 /nfs/dbraw/zinc/88/71/37/542887137.db2.gz OAZPHLVFOOAWRC-MRXNPFEDSA-N 2 1 299.393 3.176 20 0 CGADMP Cc1ncc(CN2CCS[C@@H](c3ccccc3)C2)n1C ZINC000667642653 542902679 /nfs/dbraw/zinc/90/26/79/542902679.db2.gz GDPJWJPEOUGEGN-MRXNPFEDSA-N 2 1 287.432 3.019 20 0 CGADMP C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667652226 542906653 /nfs/dbraw/zinc/90/66/53/542906653.db2.gz WOJINFRTSPNKGE-LSDHHAIUSA-N 2 1 284.407 3.278 20 0 CGADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667652226 542906657 /nfs/dbraw/zinc/90/66/57/542906657.db2.gz WOJINFRTSPNKGE-LSDHHAIUSA-N 2 1 284.407 3.278 20 0 CGADMP C[C@H]1CCC[C@H](C)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667652224 542906802 /nfs/dbraw/zinc/90/68/02/542906802.db2.gz WOJINFRTSPNKGE-GJZGRUSLSA-N 2 1 284.407 3.278 20 0 CGADMP C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667652224 542906805 /nfs/dbraw/zinc/90/68/05/542906805.db2.gz WOJINFRTSPNKGE-GJZGRUSLSA-N 2 1 284.407 3.278 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(COC)cs2)C[C@@H]1C ZINC000667664560 542910467 /nfs/dbraw/zinc/91/04/67/542910467.db2.gz NVSXLDYPMPWNGH-DZGCQCFKSA-N 2 1 296.480 3.199 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(COC)cs2)C[C@@H]1C ZINC000667664560 542910470 /nfs/dbraw/zinc/91/04/70/542910470.db2.gz NVSXLDYPMPWNGH-DZGCQCFKSA-N 2 1 296.480 3.199 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(COC)cs2)C[C@@H]1C ZINC000667664560 542910472 /nfs/dbraw/zinc/91/04/72/542910472.db2.gz NVSXLDYPMPWNGH-DZGCQCFKSA-N 2 1 296.480 3.199 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(COC)cs2)C[C@@H]1C ZINC000667664560 542910473 /nfs/dbraw/zinc/91/04/73/542910473.db2.gz NVSXLDYPMPWNGH-DZGCQCFKSA-N 2 1 296.480 3.199 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(COC)cs1 ZINC000668167663 542979673 /nfs/dbraw/zinc/97/96/73/542979673.db2.gz CXCKWBKCUOJYIY-UHFFFAOYSA-N 2 1 284.469 3.058 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(COC)cs1 ZINC000668167663 542979675 /nfs/dbraw/zinc/97/96/75/542979675.db2.gz CXCKWBKCUOJYIY-UHFFFAOYSA-N 2 1 284.469 3.058 20 0 CGADMP c1nc2n(c1C[N@@H+]1CCC[C@H]1CC1CCCC1)CCC2 ZINC000668298589 543003925 /nfs/dbraw/zinc/00/39/25/543003925.db2.gz DLZYTPPKJIWJOR-HNNXBMFYSA-N 2 1 273.424 3.374 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)C2CCCCC2)C1 ZINC000549866501 289057756 /nfs/dbraw/zinc/05/77/56/289057756.db2.gz ZZVCAQCUBGIFEN-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)C2CCCCC2)C1 ZINC000549866501 289057760 /nfs/dbraw/zinc/05/77/60/289057760.db2.gz ZZVCAQCUBGIFEN-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000668818552 543066039 /nfs/dbraw/zinc/06/60/39/543066039.db2.gz JCRWXPAWFQXQPI-QGZVFWFLSA-N 2 1 298.474 3.113 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671296616 543166757 /nfs/dbraw/zinc/16/67/57/543166757.db2.gz YKTBTFPLIJOXMM-NVXWUHKLSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)c1ccc(O[C@H](C)C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000672614428 543219781 /nfs/dbraw/zinc/21/97/81/543219781.db2.gz LRVUQGFLMZYXKR-OAHLLOKOSA-N 2 1 290.451 3.261 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916240 397609975 /nfs/dbraw/zinc/60/99/75/397609975.db2.gz ASQRGZWJYMNDCI-WBVHZDCISA-N 2 1 288.435 3.049 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916240 397609977 /nfs/dbraw/zinc/60/99/77/397609977.db2.gz ASQRGZWJYMNDCI-WBVHZDCISA-N 2 1 288.435 3.049 20 0 CGADMP CC[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000395100140 397696847 /nfs/dbraw/zinc/69/68/47/397696847.db2.gz HKEGMONQTVRMIH-HOTGVXAUSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708283 397898016 /nfs/dbraw/zinc/89/80/16/397898016.db2.gz WYLJORPTSXUVKI-UYTYNIKBSA-N 2 1 294.483 3.031 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882410 543369987 /nfs/dbraw/zinc/36/99/87/543369987.db2.gz RTXQCOKUNIQIRB-FUHWJXTLSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)s1 ZINC000676491317 543399456 /nfs/dbraw/zinc/39/94/56/543399456.db2.gz ZFHQGXPTZOBSJH-SNVBAGLBSA-N 2 1 278.425 3.006 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676888129 543422801 /nfs/dbraw/zinc/42/28/01/543422801.db2.gz QCUFLQAYMFCMSB-GFCCVEGCSA-N 2 1 275.318 3.253 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677242390 543441392 /nfs/dbraw/zinc/44/13/92/543441392.db2.gz ZUOBAUDDJLZMNX-MSOLQXFVSA-N 2 1 272.436 3.008 20 0 CGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678271128 543506456 /nfs/dbraw/zinc/50/64/56/543506456.db2.gz OREGHIHWWPMZKS-NVXWUHKLSA-N 2 1 290.451 3.247 20 0 CGADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000247202473 286050250 /nfs/dbraw/zinc/05/02/50/286050250.db2.gz VBXVFHIJGQPCKE-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000359220116 292191194 /nfs/dbraw/zinc/19/11/94/292191194.db2.gz NJUYZEFICQWUQC-OAHLLOKOSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678898799 543570216 /nfs/dbraw/zinc/57/02/16/543570216.db2.gz SUWQMLNOEBMGPJ-NEWSRXKRSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000678930318 543574161 /nfs/dbraw/zinc/57/41/61/543574161.db2.gz HVMAXAMDYGIZTF-KDOFPFPSSA-N 2 1 270.420 3.162 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1F ZINC000423513666 286245278 /nfs/dbraw/zinc/24/52/78/286245278.db2.gz VNXHNRNNLRPHDA-ABAIWWIYSA-N 2 1 280.387 3.002 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)C12CCCC2 ZINC000359214367 286332126 /nfs/dbraw/zinc/33/21/26/286332126.db2.gz IRZUCKMPSZBIDJ-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000119188557 286376598 /nfs/dbraw/zinc/37/65/98/286376598.db2.gz QTJFBVMSRBBMAK-RPVQJOFSSA-N 2 1 288.435 3.219 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000119188557 286376602 /nfs/dbraw/zinc/37/66/02/286376602.db2.gz QTJFBVMSRBBMAK-RPVQJOFSSA-N 2 1 288.435 3.219 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCCO2 ZINC000361773459 292368681 /nfs/dbraw/zinc/36/86/81/292368681.db2.gz PTCXYMAOTSDTET-ZMSDIMECSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCCO2 ZINC000361773459 292368683 /nfs/dbraw/zinc/36/86/83/292368683.db2.gz PTCXYMAOTSDTET-ZMSDIMECSA-N 2 1 288.435 3.281 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594756 286792143 /nfs/dbraw/zinc/79/21/43/286792143.db2.gz KGXHXWRZGQTYCW-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cncc(F)c1 ZINC000247240516 287023006 /nfs/dbraw/zinc/02/30/06/287023006.db2.gz YXMGZVKKHYIWSF-LSDHHAIUSA-N 2 1 293.430 3.383 20 0 CGADMP CSCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000075677043 287027191 /nfs/dbraw/zinc/02/71/91/287027191.db2.gz IBWRBOOGWNMAOJ-INIZCTEOSA-N 2 1 284.513 3.183 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000076000838 287030860 /nfs/dbraw/zinc/03/08/60/287030860.db2.gz LPNZPVWBGAKGPZ-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358466075 287047352 /nfs/dbraw/zinc/04/73/52/287047352.db2.gz ILSZPVLWCSZLHY-UXLLHSPISA-N 2 1 294.483 3.044 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000066152382 165035285 /nfs/dbraw/zinc/03/52/85/165035285.db2.gz QFRQWWADWSNBSD-QGZVFWFLSA-N 2 1 290.451 3.153 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000066152382 165035287 /nfs/dbraw/zinc/03/52/87/165035287.db2.gz QFRQWWADWSNBSD-QGZVFWFLSA-N 2 1 290.451 3.153 20 0 CGADMP CCSCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000078031294 165125656 /nfs/dbraw/zinc/12/56/56/165125656.db2.gz ZHIRYEXFYZZHGN-INIZCTEOSA-N 2 1 284.513 3.328 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C12CCCCC2 ZINC000087299158 165187065 /nfs/dbraw/zinc/18/70/65/165187065.db2.gz QBVKHEUXCIEQAQ-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CCc1cc(N[C@H](C)CCC[NH+](CC)CC)nc(C)[nH+]1 ZINC000088760113 165195720 /nfs/dbraw/zinc/19/57/20/165195720.db2.gz VTYSMWTWIBLJOT-CYBMUJFWSA-N 2 1 278.444 3.270 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C(C)C ZINC000090586448 287102902 /nfs/dbraw/zinc/10/29/02/287102902.db2.gz NJYHJYWDPWHNNY-HOTGVXAUSA-N 2 1 254.462 3.379 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522160 165352079 /nfs/dbraw/zinc/35/20/79/165352079.db2.gz ARBNFEOVPXEZBX-AWEZNQCLSA-N 2 1 258.409 3.125 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000093094866 287114629 /nfs/dbraw/zinc/11/46/29/287114629.db2.gz YQAYJMGGHMDBQD-LLVKDONJSA-N 2 1 272.845 3.221 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000093094866 287114633 /nfs/dbraw/zinc/11/46/33/287114633.db2.gz YQAYJMGGHMDBQD-LLVKDONJSA-N 2 1 272.845 3.221 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000094278215 287122091 /nfs/dbraw/zinc/12/20/91/287122091.db2.gz HUVFJDXYERLNRC-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000110974447 287132285 /nfs/dbraw/zinc/13/22/85/287132285.db2.gz DBBSAMMJXBAEIF-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000110974447 287132288 /nfs/dbraw/zinc/13/22/88/287132288.db2.gz DBBSAMMJXBAEIF-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261598173 287133384 /nfs/dbraw/zinc/13/33/84/287133384.db2.gz ATQKNVUUZCSHPW-SWLSCSKDSA-N 2 1 298.352 3.452 20 0 CGADMP C[C@@H](C[N@H+](C)CCC[NH+]1CCCCC1)c1nccs1 ZINC000119071946 287164609 /nfs/dbraw/zinc/16/46/09/287164609.db2.gz SUYDGJKKNNNOEY-AWEZNQCLSA-N 2 1 281.469 3.054 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC[NH+]1CCCCC1)c1nccs1 ZINC000119071946 287164611 /nfs/dbraw/zinc/16/46/11/287164611.db2.gz SUYDGJKKNNNOEY-AWEZNQCLSA-N 2 1 281.469 3.054 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000020189164 171054021 /nfs/dbraw/zinc/05/40/21/171054021.db2.gz VMPUOMLFKKNMST-CQSZACIVSA-N 2 1 276.424 3.219 20 0 CGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000020189429 171055767 /nfs/dbraw/zinc/05/57/67/171055767.db2.gz AHVWKQZBOSLYOU-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000020524026 171236821 /nfs/dbraw/zinc/23/68/21/171236821.db2.gz CEQJZKFRHZADRW-ODWCKFRGSA-N 2 1 250.411 3.024 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000125965303 287253987 /nfs/dbraw/zinc/25/39/87/287253987.db2.gz VOTOTXDTYQOYTP-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000285374063 196265018 /nfs/dbraw/zinc/26/50/18/196265018.db2.gz GBFKXYVZZMFNMK-BWPKMQGJSA-N 2 1 294.389 3.300 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000285556037 196325223 /nfs/dbraw/zinc/32/52/23/196325223.db2.gz VAVPXSMTQXIONO-DUXPYHPUSA-N 2 1 291.345 3.163 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000037248858 173060974 /nfs/dbraw/zinc/06/09/74/173060974.db2.gz QZKAMZIOWCJQCV-LLVKDONJSA-N 2 1 286.341 3.450 20 0 CGADMP C([NH2+]C1CCCCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408428 173184539 /nfs/dbraw/zinc/18/45/39/173184539.db2.gz GDHDTSLZRDUNNI-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000037649080 173598724 /nfs/dbraw/zinc/59/87/24/173598724.db2.gz PABFNJJTWTUKEK-GXTWGEPZSA-N 2 1 278.465 3.500 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000038097979 174112259 /nfs/dbraw/zinc/11/22/59/174112259.db2.gz LXSSKUCIDNLIGV-OAHLLOKOSA-N 2 1 260.425 3.438 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000040500785 174296927 /nfs/dbraw/zinc/29/69/27/174296927.db2.gz IYEMBUVSIQVYQI-AEFFLSMTSA-N 2 1 286.463 3.390 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000071206776 176080520 /nfs/dbraw/zinc/08/05/20/176080520.db2.gz FGRYLJVRXHUPCE-VQIMIIECSA-N 2 1 286.463 3.472 20 0 CGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1cccs1 ZINC000050953296 416478928 /nfs/dbraw/zinc/47/89/28/416478928.db2.gz VWJPORWKTSWFIC-UHFFFAOYSA-N 2 1 266.454 3.350 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000050954081 416479683 /nfs/dbraw/zinc/47/96/83/416479683.db2.gz LYPXZXRRDZQRNL-KRWDZBQOSA-N 2 1 264.457 3.421 20 0 CGADMP c1ccc2c(c1)CCC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000062946181 416488457 /nfs/dbraw/zinc/48/84/57/416488457.db2.gz SDYMWUUGYGTFFC-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)[C@@H]1CC[NH3+] ZINC000404405223 416554673 /nfs/dbraw/zinc/55/46/73/416554673.db2.gz UIUWVKIRALLXAF-RDTXWAMCSA-N 2 1 283.419 3.184 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(OC(C)C)c2)CC[C@@H]1[NH3+] ZINC000122395672 416504032 /nfs/dbraw/zinc/50/40/32/416504032.db2.gz QUNRGQQEYNIVMO-RDJZCZTQSA-N 2 1 276.424 3.033 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000679721053 543657731 /nfs/dbraw/zinc/65/77/31/543657731.db2.gz FWEPDYXILWKYET-JKSUJKDBSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000679721053 543657733 /nfs/dbraw/zinc/65/77/33/543657733.db2.gz FWEPDYXILWKYET-JKSUJKDBSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000130565419 287358214 /nfs/dbraw/zinc/35/82/14/287358214.db2.gz MYZMTCYFGJCUMC-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682073950 543820360 /nfs/dbraw/zinc/82/03/60/543820360.db2.gz POZDIENGYDUADV-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682073948 543821125 /nfs/dbraw/zinc/82/11/25/543821125.db2.gz POZDIENGYDUADV-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683926568 543954234 /nfs/dbraw/zinc/95/42/34/543954234.db2.gz BGAWBKNYVQKJCG-CYBMUJFWSA-N 2 1 282.391 3.099 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)c1 ZINC000684377336 543988735 /nfs/dbraw/zinc/98/87/35/543988735.db2.gz KOWRTWIACZFYSS-MSOLQXFVSA-N 2 1 290.451 3.186 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCc2cccnc21)C(C)(C)C ZINC000684956884 544044324 /nfs/dbraw/zinc/04/43/24/544044324.db2.gz KCXGVQAEZYZNCH-HZPDHXFCSA-N 2 1 289.467 3.415 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CC(C)(C)c1ccccc1 ZINC000684967427 544047816 /nfs/dbraw/zinc/04/78/16/544047816.db2.gz ZWORFMOVCWDKFY-UHFFFAOYSA-N 2 1 274.452 3.382 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000652222361 418936818 /nfs/dbraw/zinc/93/68/18/418936818.db2.gz MEVAHBYSJSKJCI-SFHVURJKSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000652222361 418936821 /nfs/dbraw/zinc/93/68/21/418936821.db2.gz MEVAHBYSJSKJCI-SFHVURJKSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000652240491 418940582 /nfs/dbraw/zinc/94/05/82/418940582.db2.gz CXYKFCJRXCTLGN-ZRSRNVLSSA-N 2 1 284.447 3.313 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348879 418955620 /nfs/dbraw/zinc/95/56/20/418955620.db2.gz ULNQKQQVWIYHKX-XHSDSOJGSA-N 2 1 282.472 3.031 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355855 418955715 /nfs/dbraw/zinc/95/57/15/418955715.db2.gz JZMKYOXPYZEIBY-UKRRQHHQSA-N 2 1 278.465 3.358 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCc2ccsc2)[C@@H]1CC[NH3+] ZINC000652356018 418955864 /nfs/dbraw/zinc/95/58/64/418955864.db2.gz QFXRZDSUBDVVOI-UKRRQHHQSA-N 2 1 266.454 3.130 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000653481187 419034697 /nfs/dbraw/zinc/03/46/97/419034697.db2.gz AGSWPQWDXPCLKJ-UHFFFAOYSA-N 2 1 287.382 3.156 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000653481187 419034699 /nfs/dbraw/zinc/03/46/99/419034699.db2.gz AGSWPQWDXPCLKJ-UHFFFAOYSA-N 2 1 287.382 3.156 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC000659973998 419049196 /nfs/dbraw/zinc/04/91/96/419049196.db2.gz JGMLMOBOPCLQCC-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659973998 419049198 /nfs/dbraw/zinc/04/91/98/419049198.db2.gz JGMLMOBOPCLQCC-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659973998 419049202 /nfs/dbraw/zinc/04/92/02/419049202.db2.gz JGMLMOBOPCLQCC-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000653776223 419082960 /nfs/dbraw/zinc/08/29/60/419082960.db2.gz VVFMHJANBIIMEJ-UHFFFAOYSA-N 2 1 287.382 3.161 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(Cl)c1 ZINC000665250081 419091568 /nfs/dbraw/zinc/09/15/68/419091568.db2.gz HOBJOFSSAGGCGN-LLVKDONJSA-N 2 1 252.789 3.262 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CCCC1 ZINC000665248406 419092715 /nfs/dbraw/zinc/09/27/15/419092715.db2.gz WMWCJQLTEPCZSX-AWEZNQCLSA-N 2 1 294.826 3.415 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)O1 ZINC000665265520 419096919 /nfs/dbraw/zinc/09/69/19/419096919.db2.gz XHHOYBKVNKHPGN-DDBAPUKQSA-N 2 1 288.435 3.027 20 0 CGADMP CC1(C)CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280129 419101576 /nfs/dbraw/zinc/10/15/76/419101576.db2.gz UDNATJNQSJVNOG-MNQCNDSGSA-N 2 1 270.420 3.141 20 0 CGADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665290077 419107548 /nfs/dbraw/zinc/10/75/48/419107548.db2.gz IMOZTMPTSUKMML-IAGOWNOFSA-N 2 1 264.457 3.371 20 0 CGADMP COc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1C ZINC000665294021 419107769 /nfs/dbraw/zinc/10/77/69/419107769.db2.gz GYVPIYKNVSUKOP-DLBZAZTESA-N 2 1 282.387 3.238 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000665297485 419111174 /nfs/dbraw/zinc/11/11/74/419111174.db2.gz GYXVWBLHZJYRDK-TUAOUCFPSA-N 2 1 254.805 3.030 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983485 419052709 /nfs/dbraw/zinc/05/27/09/419052709.db2.gz NOFGZDYQFIRYLX-NJAFHUGGSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983485 419052712 /nfs/dbraw/zinc/05/27/12/419052712.db2.gz NOFGZDYQFIRYLX-NJAFHUGGSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983485 419052715 /nfs/dbraw/zinc/05/27/15/419052715.db2.gz NOFGZDYQFIRYLX-NJAFHUGGSA-N 2 1 296.499 3.386 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000659983108 419053537 /nfs/dbraw/zinc/05/35/37/419053537.db2.gz DPFAXOUMTZTHOE-MCIONIFRSA-N 2 1 276.415 3.472 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000659983108 419053541 /nfs/dbraw/zinc/05/35/41/419053541.db2.gz DPFAXOUMTZTHOE-MCIONIFRSA-N 2 1 276.415 3.472 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000659983108 419053544 /nfs/dbraw/zinc/05/35/44/419053544.db2.gz DPFAXOUMTZTHOE-MCIONIFRSA-N 2 1 276.415 3.472 20 0 CGADMP C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CCC(C)(C)C1CC1 ZINC000653674427 419069182 /nfs/dbraw/zinc/06/91/82/419069182.db2.gz DBDYBRXNNPVZSF-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cc(C)cc(C)c21 ZINC000655713538 419073983 /nfs/dbraw/zinc/07/39/83/419073983.db2.gz QJHTUDUKJFDTEF-INIZCTEOSA-N 2 1 269.392 3.085 20 0 CGADMP CC(C)(CC[NH2+][C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000655941125 419129322 /nfs/dbraw/zinc/12/93/22/419129322.db2.gz MRXMZMLRVCBWJD-HNNXBMFYSA-N 2 1 252.446 3.310 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCc1c(F)cccc1F ZINC000655939591 419129962 /nfs/dbraw/zinc/12/99/62/419129962.db2.gz QLOJNBYAWNYCPH-ZDUSSCGKSA-N 2 1 282.378 3.101 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000656193612 419148660 /nfs/dbraw/zinc/14/86/60/419148660.db2.gz PBJRYLCEDBJUNP-ATZDWAIDSA-N 2 1 295.430 3.096 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCc3ccccc31)C2 ZINC000660660653 419176325 /nfs/dbraw/zinc/17/63/25/419176325.db2.gz AJANNTWEIUNSLU-MSOLQXFVSA-N 2 1 270.420 3.092 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCc3ccccc31)C2 ZINC000660660655 419178212 /nfs/dbraw/zinc/17/82/12/419178212.db2.gz AJANNTWEIUNSLU-QZTJIDSGSA-N 2 1 270.420 3.092 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccsc1Cl)C2 ZINC000660665157 419178494 /nfs/dbraw/zinc/17/84/94/419178494.db2.gz UYVMZSCNELFAJT-AWEZNQCLSA-N 2 1 284.856 3.319 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000655939307 419128720 /nfs/dbraw/zinc/12/87/20/419128720.db2.gz FZXQRBIOOFVEID-BHYGNILZSA-N 2 1 294.483 3.031 20 0 CGADMP CC(C)OCc1ccccc1CNCc1cnc2n1CCC2 ZINC000657297938 419245602 /nfs/dbraw/zinc/24/56/02/419245602.db2.gz JJMNWNAUHQOHDA-UHFFFAOYSA-N 2 1 299.418 3.044 20 0 CGADMP CC(C)Oc1cccc([C@H](C)NCc2cnc3n2CCC3)c1 ZINC000657313431 419248101 /nfs/dbraw/zinc/24/81/01/419248101.db2.gz QSZJLJAQALNAHX-AWEZNQCLSA-N 2 1 299.418 3.467 20 0 CGADMP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)[nH]c2c1 ZINC000657335984 419253502 /nfs/dbraw/zinc/25/35/02/419253502.db2.gz VWECGIXENKFIQZ-HNNXBMFYSA-N 2 1 285.435 3.296 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)c(F)c1F ZINC000657346561 419256958 /nfs/dbraw/zinc/25/69/58/419256958.db2.gz GOOYNBAAJYKLMN-SNVBAGLBSA-N 2 1 297.324 3.035 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000656787925 419219158 /nfs/dbraw/zinc/21/91/58/419219158.db2.gz ZIESCJMIEXEJTI-SFHVURJKSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000656787925 419219160 /nfs/dbraw/zinc/21/91/60/419219160.db2.gz ZIESCJMIEXEJTI-SFHVURJKSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccsc1)C(C)(C)C ZINC000661133995 419234446 /nfs/dbraw/zinc/23/44/46/419234446.db2.gz QECGTUAKFZNKRS-OAHLLOKOSA-N 2 1 298.496 3.050 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccsc1)C(C)(C)C ZINC000661133995 419234448 /nfs/dbraw/zinc/23/44/48/419234448.db2.gz QECGTUAKFZNKRS-OAHLLOKOSA-N 2 1 298.496 3.050 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661133995 419234449 /nfs/dbraw/zinc/23/44/49/419234449.db2.gz QECGTUAKFZNKRS-OAHLLOKOSA-N 2 1 298.496 3.050 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000661133995 419234451 /nfs/dbraw/zinc/23/44/51/419234451.db2.gz QECGTUAKFZNKRS-OAHLLOKOSA-N 2 1 298.496 3.050 20 0 CGADMP Cc1nccn1CC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661212330 419240595 /nfs/dbraw/zinc/24/05/95/419240595.db2.gz AHAQSAROIYVDOB-UHFFFAOYSA-N 2 1 283.419 3.027 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@H]1CNC/C=C/c1ccc(F)cc1 ZINC000657523087 419297029 /nfs/dbraw/zinc/29/70/29/419297029.db2.gz DFOHAVFTZKZCQE-APHBUQMISA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC/C=C/c1ccc(F)cc1 ZINC000657523087 419297031 /nfs/dbraw/zinc/29/70/31/419297031.db2.gz DFOHAVFTZKZCQE-APHBUQMISA-N 2 1 276.399 3.301 20 0 CGADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1(F)F ZINC000657667740 419323884 /nfs/dbraw/zinc/32/38/84/419323884.db2.gz BSRUHADUPLXOKA-MRXNPFEDSA-N 2 1 294.389 3.286 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1 ZINC000657677406 419326310 /nfs/dbraw/zinc/32/63/10/419326310.db2.gz CFTCAHRXEDUDNG-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1 ZINC000657677406 419326313 /nfs/dbraw/zinc/32/63/13/419326313.db2.gz CFTCAHRXEDUDNG-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP Fc1ccccc1C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CC1 ZINC000662310685 419390572 /nfs/dbraw/zinc/39/05/72/419390572.db2.gz MIVKGULGGFNEEY-CQSZACIVSA-N 2 1 276.399 3.037 20 0 CGADMP Fc1cccc([C@H]2CC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662257664 419372180 /nfs/dbraw/zinc/37/21/80/419372180.db2.gz RCZGCHKOOHXCSI-LJQANCHMSA-N 2 1 296.389 3.418 20 0 CGADMP COc1cccc(SCC[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000662248238 419372706 /nfs/dbraw/zinc/37/27/06/419372706.db2.gz WXNAVAPXCFVHJS-INIZCTEOSA-N 2 1 296.480 3.093 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264366 419374739 /nfs/dbraw/zinc/37/47/39/419374739.db2.gz JGRFYSUQAQETKP-XLMAVXFVSA-N 2 1 272.436 3.239 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662263889 419376015 /nfs/dbraw/zinc/37/60/15/419376015.db2.gz GHSCBWCSQTYECE-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCCSCC1)[NH+](C)C ZINC000657835556 419378832 /nfs/dbraw/zinc/37/88/32/419378832.db2.gz YABRARYEDZVKEO-GJZGRUSLSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662274581 419381437 /nfs/dbraw/zinc/38/14/37/419381437.db2.gz XEEUMKCUBZVFMI-CQSZACIVSA-N 2 1 284.856 3.103 20 0 CGADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662275469 419382026 /nfs/dbraw/zinc/38/20/26/419382026.db2.gz CZQWPRVFMYXJSQ-KZNAEPCWSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000662277643 419382615 /nfs/dbraw/zinc/38/26/15/419382615.db2.gz RFNJDTCXHORKEZ-GOSISDBHSA-N 2 1 272.436 3.386 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC000662274878 419383263 /nfs/dbraw/zinc/38/32/63/419383263.db2.gz YCKZWRLYDVNMCK-OWYHZJEWSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC000662274878 419383265 /nfs/dbraw/zinc/38/32/65/419383265.db2.gz YCKZWRLYDVNMCK-OWYHZJEWSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000662273600 419383375 /nfs/dbraw/zinc/38/33/75/419383375.db2.gz PCXMTVHUEDZISQ-QGZVFWFLSA-N 2 1 260.425 3.155 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657932991 419448951 /nfs/dbraw/zinc/44/89/51/419448951.db2.gz YFAXUAOUIHQMLZ-HZPDHXFCSA-N 2 1 284.513 3.230 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000658019380 419496891 /nfs/dbraw/zinc/49/68/91/419496891.db2.gz QHTISFROLKNURB-FHERZECASA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000658019380 419496897 /nfs/dbraw/zinc/49/68/97/419496897.db2.gz QHTISFROLKNURB-FHERZECASA-N 2 1 270.461 3.044 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000663502175 419636369 /nfs/dbraw/zinc/63/63/69/419636369.db2.gz DEZHGZXDWTWOGW-VYDXJSESSA-N 2 1 272.436 3.036 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@H](C)C1 ZINC000658126695 419602403 /nfs/dbraw/zinc/60/24/03/419602403.db2.gz HNSNNYUGNXGYPJ-QAPCUYQASA-N 2 1 297.446 3.097 20 0 CGADMP C[C@H]1CC(C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@H](C)C1 ZINC000658128725 419605803 /nfs/dbraw/zinc/60/58/03/419605803.db2.gz XCCWOGGKIOBGRM-ZIAGYGMSSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464588 419615371 /nfs/dbraw/zinc/61/53/71/419615371.db2.gz DTUMHDLRUBVINW-RHSMWYFYSA-N 2 1 264.457 3.277 20 0 CGADMP C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466033 419615901 /nfs/dbraw/zinc/61/59/01/419615901.db2.gz NFNQJOKUIWKTCS-MAUKXSAKSA-N 2 1 276.468 3.277 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465224 419617852 /nfs/dbraw/zinc/61/78/52/419617852.db2.gz IQDMIIBITJYKIP-WMZOPIPTSA-N 2 1 299.462 3.171 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465224 419617860 /nfs/dbraw/zinc/61/78/60/419617860.db2.gz IQDMIIBITJYKIP-WMZOPIPTSA-N 2 1 299.462 3.171 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469570 419626380 /nfs/dbraw/zinc/62/63/80/419626380.db2.gz QOICZZYTVUWZRB-DZKIICNBSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC1 ZINC000658264767 419720784 /nfs/dbraw/zinc/72/07/84/419720784.db2.gz MKAXVCPZGXTQAY-IAGOWNOFSA-N 2 1 258.409 3.007 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221913026 262322683 /nfs/dbraw/zinc/32/26/83/262322683.db2.gz HUJZEOHGPBUSCV-INIZCTEOSA-N 2 1 292.467 3.336 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044535477 270036083 /nfs/dbraw/zinc/03/60/83/270036083.db2.gz XNHKNAMLTXDEDZ-NVXWUHKLSA-N 2 1 260.425 3.459 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222805275 270086053 /nfs/dbraw/zinc/08/60/53/270086053.db2.gz YXSTYKIGYBFNHX-DVOMOZLQSA-N 2 1 280.843 3.343 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222805275 270086054 /nfs/dbraw/zinc/08/60/54/270086054.db2.gz YXSTYKIGYBFNHX-DVOMOZLQSA-N 2 1 280.843 3.343 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229553003 270088587 /nfs/dbraw/zinc/08/85/87/270088587.db2.gz LUHDTCQXEPDXSJ-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229553003 270088588 /nfs/dbraw/zinc/08/85/88/270088588.db2.gz LUHDTCQXEPDXSJ-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(C)C ZINC000229535762 270088670 /nfs/dbraw/zinc/08/86/70/270088670.db2.gz SNFGQUAVEZDDPP-OFQRWUPVSA-N 2 1 254.462 3.233 20 0 CGADMP CC[C@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000527115797 270125617 /nfs/dbraw/zinc/12/56/17/270125617.db2.gz KVDFMWAMBHTAJD-WMLDXEAASA-N 2 1 278.415 3.393 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000527531844 270128431 /nfs/dbraw/zinc/12/84/31/270128431.db2.gz CNONBZLKMMJZRN-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000527876394 270141429 /nfs/dbraw/zinc/14/14/29/270141429.db2.gz MYJCDLBLWBGIRL-SFHVURJKSA-N 2 1 272.436 3.249 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000527843543 270139310 /nfs/dbraw/zinc/13/93/10/270139310.db2.gz BTRBFRJDMXMRIN-KRWDZBQOSA-N 2 1 260.425 3.438 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H]1CC12CC2 ZINC000527848867 270139502 /nfs/dbraw/zinc/13/95/02/270139502.db2.gz SWVNYUAJBVGGER-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528398596 270163915 /nfs/dbraw/zinc/16/39/15/270163915.db2.gz XMILGLJTOGDJCI-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529527726 270182809 /nfs/dbraw/zinc/18/28/09/270182809.db2.gz BJULKXUIKLXVCY-KRWDZBQOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529527726 270182810 /nfs/dbraw/zinc/18/28/10/270182810.db2.gz BJULKXUIKLXVCY-KRWDZBQOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529527726 270182811 /nfs/dbraw/zinc/18/28/11/270182811.db2.gz BJULKXUIKLXVCY-KRWDZBQOSA-N 2 1 297.446 3.332 20 0 CGADMP c1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530224267 270196420 /nfs/dbraw/zinc/19/64/20/270196420.db2.gz VWLFMZAXTQAJEK-CVEARBPZSA-N 2 1 256.393 3.012 20 0 CGADMP CCc1ccc(CC[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000530665885 270201814 /nfs/dbraw/zinc/20/18/14/270201814.db2.gz KPHMACTUIOWHBX-UHFFFAOYSA-N 2 1 274.452 3.208 20 0 CGADMP CCc1ccc(CC[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000530665885 270201815 /nfs/dbraw/zinc/20/18/15/270201815.db2.gz KPHMACTUIOWHBX-UHFFFAOYSA-N 2 1 274.452 3.208 20 0 CGADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCc1c[nH+]cn1C ZINC000530460330 270200501 /nfs/dbraw/zinc/20/05/01/270200501.db2.gz MGTCJLWWLXAQDE-BBRMVZONSA-N 2 1 269.392 3.109 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCOCC1 ZINC000531947631 270211232 /nfs/dbraw/zinc/21/12/32/270211232.db2.gz WIAOMDWDMNYWLP-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532214995 270214411 /nfs/dbraw/zinc/21/44/11/270214411.db2.gz UUIIHEVEKQWWMF-WCVJEAGWSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532214995 270214412 /nfs/dbraw/zinc/21/44/12/270214412.db2.gz UUIIHEVEKQWWMF-WCVJEAGWSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423475657 273750545 /nfs/dbraw/zinc/75/05/45/273750545.db2.gz RTSWVEVFDCRFKR-ZANVPECISA-N 2 1 273.207 3.308 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222932614 274122429 /nfs/dbraw/zinc/12/24/29/274122429.db2.gz JGFLXROMRLPWQV-JOQOYGCGSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222932614 274122430 /nfs/dbraw/zinc/12/24/30/274122430.db2.gz JGFLXROMRLPWQV-JOQOYGCGSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1c[nH+]ccc1N ZINC000335513012 274262188 /nfs/dbraw/zinc/26/21/88/274262188.db2.gz LQAOSHGRXOHFFO-DIFFPNOSSA-N 2 1 285.366 3.361 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000248474009 287767382 /nfs/dbraw/zinc/76/73/82/287767382.db2.gz WYINQMNMSFEFDO-FMKPAKJESA-N 2 1 263.429 3.244 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CCC1 ZINC000423341979 274942780 /nfs/dbraw/zinc/94/27/80/274942780.db2.gz YQQSKIICFAHPDZ-ZDUSSCGKSA-N 2 1 285.218 3.452 20 0 CGADMP C([NH2+]CC1CCCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089559670 275394929 /nfs/dbraw/zinc/39/49/29/275394929.db2.gz XZEHKCSAEHEIML-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+][C@H](C)C[NH3+] ZINC000423319897 275668516 /nfs/dbraw/zinc/66/85/16/275668516.db2.gz FYPPLMHZGROSRY-IUODEOHRSA-N 2 1 268.832 3.234 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000437109103 276015530 /nfs/dbraw/zinc/01/55/30/276015530.db2.gz WBJLMBDAJFWZJK-SRVKXCTJSA-N 2 1 266.351 3.036 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000437109103 276015531 /nfs/dbraw/zinc/01/55/31/276015531.db2.gz WBJLMBDAJFWZJK-SRVKXCTJSA-N 2 1 266.351 3.036 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000284583694 276109541 /nfs/dbraw/zinc/10/95/41/276109541.db2.gz ZTBJHVOVAZCSNG-AEFFLSMTSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000284583694 276109542 /nfs/dbraw/zinc/10/95/42/276109542.db2.gz ZTBJHVOVAZCSNG-AEFFLSMTSA-N 2 1 290.451 3.038 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCC[C@@H]1C ZINC000444660663 276133944 /nfs/dbraw/zinc/13/39/44/276133944.db2.gz KEHLEIHEYSBAIT-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@@H]1C ZINC000444660663 276133946 /nfs/dbraw/zinc/13/39/46/276133946.db2.gz KEHLEIHEYSBAIT-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@@H]1C ZINC000444660663 276133948 /nfs/dbraw/zinc/13/39/48/276133948.db2.gz KEHLEIHEYSBAIT-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000336845004 276149100 /nfs/dbraw/zinc/14/91/00/276149100.db2.gz LUXIRGORQDDRRR-QGZVFWFLSA-N 2 1 294.483 3.284 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000336845004 276149101 /nfs/dbraw/zinc/14/91/01/276149101.db2.gz LUXIRGORQDDRRR-QGZVFWFLSA-N 2 1 294.483 3.284 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000449772020 276151439 /nfs/dbraw/zinc/15/14/39/276151439.db2.gz ZRPQMQQFGSRFIY-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)CC(C)C)C[C@@H]1C ZINC000410395047 276225436 /nfs/dbraw/zinc/22/54/36/276225436.db2.gz KLEXKPRYIUPANO-PMPSAXMXSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)C[C@@H]1C ZINC000410395047 276225437 /nfs/dbraw/zinc/22/54/37/276225437.db2.gz KLEXKPRYIUPANO-PMPSAXMXSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)CC(C)C)C[C@@H]1C ZINC000410395047 276225438 /nfs/dbraw/zinc/22/54/38/276225438.db2.gz KLEXKPRYIUPANO-PMPSAXMXSA-N 2 1 254.462 3.473 20 0 CGADMP CCCC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408418 276226058 /nfs/dbraw/zinc/22/60/58/276226058.db2.gz HFWMDRQEJQCHQX-PCKAHOCUSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423298530 276243031 /nfs/dbraw/zinc/24/30/31/276243031.db2.gz OKNHMWQNYVJNRZ-CVEARBPZSA-N 2 1 264.388 3.384 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)CC(C)C ZINC000449071960 276337048 /nfs/dbraw/zinc/33/70/48/276337048.db2.gz CSVPVEURYSRNLO-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC000032558439 276358857 /nfs/dbraw/zinc/35/88/57/276358857.db2.gz WWTLBPSWIQDDHC-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC000032558439 276358859 /nfs/dbraw/zinc/35/88/59/276358859.db2.gz WWTLBPSWIQDDHC-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000037141644 276360423 /nfs/dbraw/zinc/36/04/23/276360423.db2.gz NPIPCRWWJZRFHJ-WCQYABFASA-N 2 1 278.362 3.181 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176157 277073455 /nfs/dbraw/zinc/07/34/55/277073455.db2.gz IBHHUSXQWLPGMA-MLGOLLRUSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000503052109 277079322 /nfs/dbraw/zinc/07/93/22/277079322.db2.gz JRZWHNJEGAAABS-FUHWJXTLSA-N 2 1 272.436 3.312 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000474483376 277211787 /nfs/dbraw/zinc/21/17/87/277211787.db2.gz VYSBDYDHGTUYKL-HZPDHXFCSA-N 2 1 284.488 3.149 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000124758464 277267400 /nfs/dbraw/zinc/26/74/00/277267400.db2.gz PBVVVUIUKAFZHA-LLVKDONJSA-N 2 1 274.330 3.308 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000090721667 277341583 /nfs/dbraw/zinc/34/15/83/277341583.db2.gz RMISWLVNSHVBOF-LBDPXKHJSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000090721667 277341586 /nfs/dbraw/zinc/34/15/86/277341586.db2.gz RMISWLVNSHVBOF-LBDPXKHJSA-N 2 1 252.446 3.274 20 0 CGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[N@H+]3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424267749 277352285 /nfs/dbraw/zinc/35/22/85/277352285.db2.gz YNIYYPUMYRJPGV-QXDIGNSFSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2C2CCCC2)CC[NH2+]1 ZINC000261572647 278011233 /nfs/dbraw/zinc/01/12/33/278011233.db2.gz LWIHMTYOMGQXNY-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000361768703 278029097 /nfs/dbraw/zinc/02/90/97/278029097.db2.gz ROMDJDDAXKTBFD-YIDVYQOGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC[N@H+]1C ZINC000361768703 278029098 /nfs/dbraw/zinc/02/90/98/278029098.db2.gz ROMDJDDAXKTBFD-YIDVYQOGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000448069057 278207637 /nfs/dbraw/zinc/20/76/37/278207637.db2.gz CUWIHWTYPWHLRP-UONOGXRCSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCCC[C@@H]1C ZINC000448069057 278207638 /nfs/dbraw/zinc/20/76/38/278207638.db2.gz CUWIHWTYPWHLRP-UONOGXRCSA-N 2 1 250.430 3.172 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Cl ZINC000397239819 288022190 /nfs/dbraw/zinc/02/21/90/288022190.db2.gz LABVMEIEHOXLQK-SCRDCRAPSA-N 2 1 296.842 3.154 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Cl ZINC000397239819 288022192 /nfs/dbraw/zinc/02/21/92/288022192.db2.gz LABVMEIEHOXLQK-SCRDCRAPSA-N 2 1 296.842 3.154 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C[NH3+] ZINC000397269635 288022627 /nfs/dbraw/zinc/02/26/27/288022627.db2.gz MECQVUCZYVNNNB-CKEIUWERSA-N 2 1 283.419 3.040 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414929657 278222453 /nfs/dbraw/zinc/22/24/53/278222453.db2.gz OWPRDVTVSWUCAG-JHJVBQTASA-N 2 1 292.389 3.475 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CC1(C)C ZINC000397595857 288024672 /nfs/dbraw/zinc/02/46/72/288024672.db2.gz DJOWIGBMBXCHOV-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000453427372 278273785 /nfs/dbraw/zinc/27/37/85/278273785.db2.gz ZMGDRCYSXCDYBA-RBGFHDKUSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000453427372 278273787 /nfs/dbraw/zinc/27/37/87/278273787.db2.gz ZMGDRCYSXCDYBA-RBGFHDKUSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC1(C)C ZINC000397772442 288030130 /nfs/dbraw/zinc/03/01/30/288030130.db2.gz HNOITYNBGZIMRN-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC1(C)C ZINC000397772442 288030131 /nfs/dbraw/zinc/03/01/31/288030131.db2.gz HNOITYNBGZIMRN-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228470887 278307362 /nfs/dbraw/zinc/30/73/62/278307362.db2.gz OGHFEZMYAMOYSY-WXYCVUISSA-N 2 1 278.827 3.460 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398017423 288037629 /nfs/dbraw/zinc/03/76/29/288037629.db2.gz HZZNIXLTOFOMCD-APWZRJJASA-N 2 1 295.430 3.134 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398017427 288037656 /nfs/dbraw/zinc/03/76/56/288037656.db2.gz HZZNIXLTOFOMCD-QFBILLFUSA-N 2 1 295.430 3.134 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000298536814 278620532 /nfs/dbraw/zinc/62/05/32/278620532.db2.gz SRCKURIRXDMGED-UHFFFAOYSA-N 2 1 290.426 3.320 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459382821 288086295 /nfs/dbraw/zinc/08/62/95/288086295.db2.gz WGWXTOVYBQHYQS-WDSOQIARSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)CC[NH2+]1 ZINC000423367614 278925833 /nfs/dbraw/zinc/92/58/33/278925833.db2.gz DLQYPZFPYZOBLP-SUNKGSAMSA-N 2 1 280.412 3.093 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163404697 279132618 /nfs/dbraw/zinc/13/26/18/279132618.db2.gz XASXLKIHGDVHNI-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271346874 279143875 /nfs/dbraw/zinc/14/38/75/279143875.db2.gz XWMXHXWTZRBMEP-OLZOCXBDSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271346874 279143879 /nfs/dbraw/zinc/14/38/79/279143879.db2.gz XWMXHXWTZRBMEP-OLZOCXBDSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2ccsc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000271346874 279143881 /nfs/dbraw/zinc/14/38/81/279143881.db2.gz XWMXHXWTZRBMEP-OLZOCXBDSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2ccsc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000271346874 279143885 /nfs/dbraw/zinc/14/38/85/279143885.db2.gz XWMXHXWTZRBMEP-OLZOCXBDSA-N 2 1 264.438 3.152 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000459745914 288101154 /nfs/dbraw/zinc/10/11/54/288101154.db2.gz YVAMAGPKCXAJKL-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H](C[N@@H+](C)C1CC([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414765293 279280666 /nfs/dbraw/zinc/28/06/66/279280666.db2.gz BNLQZKMEWFBIQN-GWMXKSKGSA-N 2 1 286.341 3.230 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337983842 279350376 /nfs/dbraw/zinc/35/03/76/279350376.db2.gz BYKQYHIRUPZFHN-MUIFIZLQSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000337983842 279350377 /nfs/dbraw/zinc/35/03/77/279350377.db2.gz BYKQYHIRUPZFHN-MUIFIZLQSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000359629716 279355120 /nfs/dbraw/zinc/35/51/20/279355120.db2.gz GFXMXZDBIRCFEC-CQSZACIVSA-N 2 1 295.446 3.273 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000359629716 279355122 /nfs/dbraw/zinc/35/51/22/279355122.db2.gz GFXMXZDBIRCFEC-CQSZACIVSA-N 2 1 295.446 3.273 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCOC(C)(C)C)[C@@H](C)C1 ZINC000354685330 279398236 /nfs/dbraw/zinc/39/82/36/279398236.db2.gz YYBQXIJPVMNGHM-JKSUJKDBSA-N 2 1 284.488 3.244 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCOC(C)(C)C)[C@@H](C)C1 ZINC000354685330 279398237 /nfs/dbraw/zinc/39/82/37/279398237.db2.gz YYBQXIJPVMNGHM-JKSUJKDBSA-N 2 1 284.488 3.244 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCOC(C)(C)C)[C@@H](C)C1 ZINC000354685330 279398238 /nfs/dbraw/zinc/39/82/38/279398238.db2.gz YYBQXIJPVMNGHM-JKSUJKDBSA-N 2 1 284.488 3.244 20 0 CGADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423223096 279399994 /nfs/dbraw/zinc/39/99/94/279399994.db2.gz DTZBVGVWXVRCRL-RYUDHWBXSA-N 2 1 275.421 3.198 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000178038623 288159964 /nfs/dbraw/zinc/15/99/64/288159964.db2.gz BPVIOYJZTISAJQ-MWDXBVQZSA-N 2 1 282.472 3.044 20 0 CGADMP CCSCC[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000372458521 280037965 /nfs/dbraw/zinc/03/79/65/280037965.db2.gz RDCSDYNGGZGEEW-ZFWWWQNUSA-N 2 1 298.521 3.474 20 0 CGADMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000372458521 280037966 /nfs/dbraw/zinc/03/79/66/280037966.db2.gz RDCSDYNGGZGEEW-ZFWWWQNUSA-N 2 1 298.521 3.474 20 0 CGADMP CC[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[NH+]1CCCC1 ZINC000480791076 280146291 /nfs/dbraw/zinc/14/62/91/280146291.db2.gz PZJHCQHOWKQPLP-RBUKOAKNSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000359130224 280535310 /nfs/dbraw/zinc/53/53/10/280535310.db2.gz SABHDLDSJBAKBM-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000287134088 281097884 /nfs/dbraw/zinc/09/78/84/281097884.db2.gz AJAFSJVBZXTZJQ-ZVZYQTTQSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000287134088 281097891 /nfs/dbraw/zinc/09/78/91/281097891.db2.gz AJAFSJVBZXTZJQ-ZVZYQTTQSA-N 2 1 272.436 3.445 20 0 CGADMP C[C@@H]([NH2+]CC1CCc2ccccc2CC1)c1c[nH+]ccc1N ZINC000530212146 288300430 /nfs/dbraw/zinc/30/04/30/288300430.db2.gz OXBIJJQXYNWKIH-CQSZACIVSA-N 2 1 295.430 3.340 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249161644 281292276 /nfs/dbraw/zinc/29/22/76/281292276.db2.gz ZYUZDWCXZGYSNX-MUIFIZLQSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249161644 281292279 /nfs/dbraw/zinc/29/22/79/281292279.db2.gz ZYUZDWCXZGYSNX-MUIFIZLQSA-N 2 1 288.435 3.137 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000532442755 288361051 /nfs/dbraw/zinc/36/10/51/288361051.db2.gz KKFYOSUFPITAEH-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532463477 288362781 /nfs/dbraw/zinc/36/27/81/288362781.db2.gz BDTFWIXEMPDUID-FUHWJXTLSA-N 2 1 274.452 3.432 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697856 282035250 /nfs/dbraw/zinc/03/52/50/282035250.db2.gz CKTJLVNWMGCXAF-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000549034790 289032620 /nfs/dbraw/zinc/03/26/20/289032620.db2.gz ACEZGDDTHNRLMI-YYIAUSFCSA-N 2 1 264.457 3.133 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000549550365 289046308 /nfs/dbraw/zinc/04/63/08/289046308.db2.gz GZBCSFFYIAJYDP-QIPHDZALSA-N 2 1 272.436 3.410 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)C2CCCCC2)C1 ZINC000549866501 289057752 /nfs/dbraw/zinc/05/77/52/289057752.db2.gz ZZVCAQCUBGIFEN-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000551266779 289105882 /nfs/dbraw/zinc/10/58/82/289105882.db2.gz DXWDRTUGWJJAMA-CQSZACIVSA-N 2 1 291.439 3.005 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551309490 289110775 /nfs/dbraw/zinc/11/07/75/289110775.db2.gz UWXHHIHWECVUMS-NRSFXHEJSA-N 2 1 290.426 3.377 20 0 CGADMP CC(C)C(C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000551556864 289121558 /nfs/dbraw/zinc/12/15/58/289121558.db2.gz ZAYVGYKPYMGAFQ-RYQLBKOJSA-N 2 1 296.499 3.098 20 0 CGADMP CC(C)C(C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C(C)C ZINC000551583577 289123905 /nfs/dbraw/zinc/12/39/05/289123905.db2.gz SCTZCJYGEVXEOA-HNNXBMFYSA-N 2 1 254.462 3.331 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000552048519 289155082 /nfs/dbraw/zinc/15/50/82/289155082.db2.gz VUDJVIFUNMCYON-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000552048519 289155083 /nfs/dbraw/zinc/15/50/83/289155083.db2.gz VUDJVIFUNMCYON-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000552900947 289201925 /nfs/dbraw/zinc/20/19/25/289201925.db2.gz HUHLKOBQLFBACT-BRWVUGGUSA-N 2 1 290.451 3.001 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554361897 289275359 /nfs/dbraw/zinc/27/53/59/289275359.db2.gz KBZWQASYRZTAHO-BRWVUGGUSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000554377160 289279031 /nfs/dbraw/zinc/27/90/31/289279031.db2.gz KAASASNBGHCPPA-ONERCXAPSA-N 2 1 291.345 3.485 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000556262223 289383246 /nfs/dbraw/zinc/38/32/46/289383246.db2.gz WXZMGIKWRSQVDK-HPBDAGMYSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000556262223 289383249 /nfs/dbraw/zinc/38/32/49/289383249.db2.gz WXZMGIKWRSQVDK-HPBDAGMYSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333226 290212741 /nfs/dbraw/zinc/21/27/41/290212741.db2.gz SMOOQYLYGOYHNZ-MCIONIFRSA-N 2 1 294.389 3.347 20 0 CGADMP COc1ccc([C@@H]([NH2+]C2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422749100 295215295 /nfs/dbraw/zinc/21/52/95/295215295.db2.gz XNZMQQWLXLOBRK-QZTJIDSGSA-N 2 1 288.435 3.411 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420302825 295240518 /nfs/dbraw/zinc/24/05/18/295240518.db2.gz CCSNZMUJWRUERK-CXAGYDPISA-N 2 1 276.399 3.264 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CCCC1 ZINC000415073118 295264407 /nfs/dbraw/zinc/26/44/07/295264407.db2.gz ZCMAAPIXKYVSLV-PMPSAXMXSA-N 2 1 250.430 3.062 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C1CCCCC1 ZINC000423260375 295264652 /nfs/dbraw/zinc/26/46/52/295264652.db2.gz HFZULLBJBGJKCS-FJIDUMEYSA-N 2 1 294.483 3.079 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])c2ccccc2O1 ZINC000423159018 297286386 /nfs/dbraw/zinc/28/63/86/297286386.db2.gz OMMSFCYXWLVOFN-DTZQCDIJSA-N 2 1 274.408 3.148 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000422631182 297367297 /nfs/dbraw/zinc/36/72/97/297367297.db2.gz FEPPRSMOPVNKBG-WOPDTQHZSA-N 2 1 266.351 3.024 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346852718 302217660 /nfs/dbraw/zinc/21/76/60/302217660.db2.gz XGBZPWUQSCQDKO-NVXWUHKLSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423529574 302304887 /nfs/dbraw/zinc/30/48/87/302304887.db2.gz OPYHEGLOTLWSEE-YPMHNXCESA-N 2 1 252.427 3.225 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420399343 303112624 /nfs/dbraw/zinc/11/26/24/303112624.db2.gz NXXBKCCLAXJBML-OLZOCXBDSA-N 2 1 278.362 3.183 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000420331472 303126222 /nfs/dbraw/zinc/12/62/22/303126222.db2.gz QVGZXWCCPSVJTM-RRFJBIMHSA-N 2 1 286.410 3.133 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(F)cc1F ZINC000564822917 322044991 /nfs/dbraw/zinc/04/49/91/322044991.db2.gz QAXAMTNUOJTXTA-HNNXBMFYSA-N 2 1 270.367 3.394 20 0 CGADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(C2CC2)c1 ZINC000564973461 322052333 /nfs/dbraw/zinc/05/23/33/322052333.db2.gz FGZCAJCMGRQTHT-SFHVURJKSA-N 2 1 270.420 3.140 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000565282523 322071466 /nfs/dbraw/zinc/07/14/66/322071466.db2.gz AHOVZCFFRNKVDV-HIFRSBDPSA-N 2 1 266.454 3.095 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[NH2+]C(C)C)CCCO2 ZINC000565827568 322092723 /nfs/dbraw/zinc/09/27/23/322092723.db2.gz DJVONAVNBBKIRN-KRWDZBQOSA-N 2 1 290.451 3.495 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000566226013 322109998 /nfs/dbraw/zinc/10/99/98/322109998.db2.gz SFBNSDSCMABQQN-UHFFFAOYSA-N 2 1 280.721 3.139 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000566226013 322110000 /nfs/dbraw/zinc/11/00/00/322110000.db2.gz SFBNSDSCMABQQN-UHFFFAOYSA-N 2 1 280.721 3.139 20 0 CGADMP CC(C)N1CCCC[C@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566384729 322119824 /nfs/dbraw/zinc/11/98/24/322119824.db2.gz ZVNVNOLSDUDIRV-XHSDSOJGSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000566412240 322120409 /nfs/dbraw/zinc/12/04/09/322120409.db2.gz STPWUJMVXCZHCT-ZBFHGGJFSA-N 2 1 288.435 3.320 20 0 CGADMP C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566424534 322122551 /nfs/dbraw/zinc/12/25/51/322122551.db2.gz NBRKAIXUINLIHU-NWDGAFQWSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000566424534 322122554 /nfs/dbraw/zinc/12/25/54/322122554.db2.gz NBRKAIXUINLIHU-NWDGAFQWSA-N 2 1 289.345 3.016 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)[C@H]2CCC[C@@H]21 ZINC000568405651 322208155 /nfs/dbraw/zinc/20/81/55/322208155.db2.gz GTIMKBYHHMUBCE-ILXRZTDVSA-N 2 1 292.492 3.488 20 0 CGADMP c1ccc2c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)noc2c1 ZINC000568900934 322227301 /nfs/dbraw/zinc/22/73/01/322227301.db2.gz HREZSADPXYXFSL-NUEKZKHPSA-N 2 1 299.418 3.228 20 0 CGADMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000569265137 322241602 /nfs/dbraw/zinc/24/16/02/322241602.db2.gz QUEQQSRHVDONFU-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000569495737 322249097 /nfs/dbraw/zinc/24/90/97/322249097.db2.gz LPDDNCLNNDHFES-CQSZACIVSA-N 2 1 275.421 3.251 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000569495737 322249099 /nfs/dbraw/zinc/24/90/99/322249099.db2.gz LPDDNCLNNDHFES-CQSZACIVSA-N 2 1 275.421 3.251 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000569863163 322259137 /nfs/dbraw/zinc/25/91/37/322259137.db2.gz MDXFMZLZEYVEKB-YJBOKZPZSA-N 2 1 298.430 3.420 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(Cl)cccc1Cl ZINC000570094007 322264634 /nfs/dbraw/zinc/26/46/34/322264634.db2.gz WXMFJQUJKIGVED-DTWKUNHWSA-N 2 1 261.196 3.209 20 0 CGADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@H]2CCCC[C@@H]12 ZINC000570104124 322265164 /nfs/dbraw/zinc/26/51/64/322265164.db2.gz FZBHEHQVSFHWFC-PVAVHDDUSA-N 2 1 275.440 3.253 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H]2CCCC[C@@H]12 ZINC000570104124 322265166 /nfs/dbraw/zinc/26/51/66/322265166.db2.gz FZBHEHQVSFHWFC-PVAVHDDUSA-N 2 1 275.440 3.253 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cnc(C2CC2)s1)CC1CCCC1 ZINC000570515738 322275415 /nfs/dbraw/zinc/27/54/15/322275415.db2.gz QTFJTLLVXDMXKJ-UHFFFAOYSA-N 2 1 293.480 3.362 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000571053455 322288673 /nfs/dbraw/zinc/28/86/73/322288673.db2.gz LTRWBSFXAKYPPN-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000571157943 322291415 /nfs/dbraw/zinc/29/14/15/322291415.db2.gz NFUGJNXYMMCVTR-AEFFLSMTSA-N 2 1 296.499 3.029 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000571299500 322295176 /nfs/dbraw/zinc/29/51/76/322295176.db2.gz SVDBODGFFDSYAR-DBDQLMEASA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000571299500 322295177 /nfs/dbraw/zinc/29/51/77/322295177.db2.gz SVDBODGFFDSYAR-DBDQLMEASA-N 2 1 284.447 3.428 20 0 CGADMP CCC[C@H](C[NH2+]CCC[NH+]1CCC1)c1ccccc1 ZINC000571894747 322311006 /nfs/dbraw/zinc/31/10/06/322311006.db2.gz MIYDFSCCMVNYFM-QGZVFWFLSA-N 2 1 260.425 3.256 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C(C)C)C(C)C ZINC000572409696 322336181 /nfs/dbraw/zinc/33/61/81/322336181.db2.gz YSXAAESVIWFNMK-UHFFFAOYSA-N 2 1 265.445 3.442 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C(C)C)C(C)C ZINC000572409696 322336184 /nfs/dbraw/zinc/33/61/84/322336184.db2.gz YSXAAESVIWFNMK-UHFFFAOYSA-N 2 1 265.445 3.442 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000572527315 322341644 /nfs/dbraw/zinc/34/16/44/322341644.db2.gz XUUCXJOWHVVWST-CJNGLKHVSA-N 2 1 278.465 3.227 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000572589965 322345137 /nfs/dbraw/zinc/34/51/37/322345137.db2.gz WWOKTCQLQYEBOW-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000572658836 322349067 /nfs/dbraw/zinc/34/90/67/322349067.db2.gz TVRCBDCGKSEJED-RDTXWAMCSA-N 2 1 281.403 3.060 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1C ZINC000572796059 322355476 /nfs/dbraw/zinc/35/54/76/322355476.db2.gz YHHQUTHRHYKHSL-SJORKVTESA-N 2 1 289.467 3.380 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000573344412 322383227 /nfs/dbraw/zinc/38/32/27/322383227.db2.gz WSGVNAXZICJSCL-UYKLPWQDSA-N 2 1 286.463 3.499 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000573445914 322388043 /nfs/dbraw/zinc/38/80/43/322388043.db2.gz ZIZXJIZUPSBVNV-INIZCTEOSA-N 2 1 295.430 3.369 20 0 CGADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000583928675 326798943 /nfs/dbraw/zinc/79/89/43/326798943.db2.gz UXTJYDKDGLMWSA-QWRGUYRKSA-N 2 1 261.394 3.014 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccnc3ccccc23)C[C@H]1C[NH3+] ZINC000397265989 329346763 /nfs/dbraw/zinc/34/67/63/329346763.db2.gz KIRFOHKGXBLEBP-IJEWVQPXSA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1CSC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379632378 330144682 /nfs/dbraw/zinc/14/46/82/330144682.db2.gz SLEQLNZXYXQIFR-HLLBOEOZSA-N 2 1 292.492 3.238 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCCc1c(F)cccc1Cl ZINC000580483426 330240077 /nfs/dbraw/zinc/24/00/77/330240077.db2.gz DKAFSXFNWVBVBZ-UHFFFAOYSA-N 2 1 286.822 3.295 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336863061 335121962 /nfs/dbraw/zinc/12/19/62/335121962.db2.gz HQWOEPXXIWADBN-JKSUJKDBSA-N 2 1 297.446 3.203 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000576517154 335213808 /nfs/dbraw/zinc/21/38/08/335213808.db2.gz CYCHGLUVHLJIOK-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000576517154 335213811 /nfs/dbraw/zinc/21/38/11/335213811.db2.gz CYCHGLUVHLJIOK-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000577447792 335353043 /nfs/dbraw/zinc/35/30/43/335353043.db2.gz XUHWTTHBBJTAGJ-DKIMLUQUSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000577447792 335353045 /nfs/dbraw/zinc/35/30/45/335353045.db2.gz XUHWTTHBBJTAGJ-DKIMLUQUSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000577447792 335353046 /nfs/dbraw/zinc/35/30/46/335353046.db2.gz XUHWTTHBBJTAGJ-DKIMLUQUSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000577887421 335417555 /nfs/dbraw/zinc/41/75/55/335417555.db2.gz QUMPSCPMIJCFSF-CVEARBPZSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H](Nc1cc[nH+]cc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000579419186 335746010 /nfs/dbraw/zinc/74/60/10/335746010.db2.gz FCZJEIQFGXHMFY-MLGOLLRUSA-N 2 1 289.810 3.260 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000581913990 336164919 /nfs/dbraw/zinc/16/49/19/336164919.db2.gz IZXRMSAGRAFWGQ-AVGNSLFASA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000581913990 336164920 /nfs/dbraw/zinc/16/49/20/336164920.db2.gz IZXRMSAGRAFWGQ-AVGNSLFASA-N 2 1 280.378 3.426 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000386450632 336174973 /nfs/dbraw/zinc/17/49/73/336174973.db2.gz DOVOXBXJTDDCOV-WDEREUQCSA-N 2 1 272.795 3.327 20 0 CGADMP CC[C@@H](C)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000387244808 336190423 /nfs/dbraw/zinc/19/04/23/336190423.db2.gz PGVMMYPWSZQJKW-HZPDHXFCSA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2C)CC[C@@H]1[NH3+] ZINC000220233553 572875828 /nfs/dbraw/zinc/87/58/28/572875828.db2.gz WFDSIGYWZIRYAT-RDJZCZTQSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1C(F)(F)F ZINC000424373361 533718036 /nfs/dbraw/zinc/71/80/36/533718036.db2.gz XSNZSWVCUFCOAH-ZIAGYGMSSA-N 2 1 286.341 3.373 20 0 CGADMP Cc1ccc(SCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1C ZINC000422635128 500977058 /nfs/dbraw/zinc/97/70/58/500977058.db2.gz KXKJBNDCCURBCG-UHFFFAOYSA-N 2 1 290.476 3.223 20 0 CGADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000366428974 533793006 /nfs/dbraw/zinc/79/30/06/533793006.db2.gz FSMQPECVJCQHAL-IGEOTXOUSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423353670 533866348 /nfs/dbraw/zinc/86/63/48/533866348.db2.gz BWVNDBZADZTBMJ-VHSXEESVSA-N 2 1 258.818 3.194 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C[C@@H]3C)oc21 ZINC000423408073 533911143 /nfs/dbraw/zinc/91/11/43/533911143.db2.gz WTORYIPNYPXMHM-OBJOEFQTSA-N 2 1 288.391 3.090 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368564342 533981958 /nfs/dbraw/zinc/98/19/58/533981958.db2.gz QXEDBOJTMYYEIK-OLMNPRSZSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000449060840 534258134 /nfs/dbraw/zinc/25/81/34/534258134.db2.gz UOQSLTKMDOVBQZ-AWEZNQCLSA-N 2 1 264.413 3.065 20 0 CGADMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000054627700 519909005 /nfs/dbraw/zinc/90/90/05/519909005.db2.gz SIFOZMCCPPPVGE-ALOPSCKCSA-N 2 1 258.409 3.182 20 0 CGADMP Fc1cccc(C2([NH2+]CCC[NH+]3CCCCC3)CC2)c1 ZINC000162385974 534516675 /nfs/dbraw/zinc/51/66/75/534516675.db2.gz MOLWDJNCVZBMAD-UHFFFAOYSA-N 2 1 276.399 3.280 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2sccc21)C1CCCC1 ZINC000423508679 534677439 /nfs/dbraw/zinc/67/74/39/534677439.db2.gz IZQXHQGCTJSPGU-ZIAGYGMSSA-N 2 1 264.438 3.233 20 0 CGADMP Cc1ncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000358728582 534738468 /nfs/dbraw/zinc/73/84/68/534738468.db2.gz VNXMUZIPNCXXMU-UHFFFAOYSA-N 2 1 293.480 3.338 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157432089 524449798 /nfs/dbraw/zinc/44/97/98/524449798.db2.gz HCQYWXJOSHATKJ-SFHVURJKSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1cccc(NCCCC[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000157106765 524673740 /nfs/dbraw/zinc/67/37/40/524673740.db2.gz JUKIIAHOIXSCAS-HNNXBMFYSA-N 2 1 261.413 3.457 20 0 CGADMP Cc1cccc(NCCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000157106765 524673751 /nfs/dbraw/zinc/67/37/51/524673751.db2.gz JUKIIAHOIXSCAS-HNNXBMFYSA-N 2 1 261.413 3.457 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150292915 524859756 /nfs/dbraw/zinc/85/97/56/524859756.db2.gz WJOSPBGXJTWXPN-FZMZJTMJSA-N 2 1 268.351 3.183 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339414384 525244003 /nfs/dbraw/zinc/24/40/03/525244003.db2.gz WPPLTXWKVDLNEQ-OAHLLOKOSA-N 2 1 284.806 3.082 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339414384 525244010 /nfs/dbraw/zinc/24/40/10/525244010.db2.gz WPPLTXWKVDLNEQ-OAHLLOKOSA-N 2 1 284.806 3.082 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423282448 534878703 /nfs/dbraw/zinc/87/87/03/534878703.db2.gz VZYPWYSMQPFPMY-PWSUYJOCSA-N 2 1 269.458 3.209 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000155871531 525938809 /nfs/dbraw/zinc/93/88/09/525938809.db2.gz VXDVRDQVVSTMGD-KGYLQXTDSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000155871531 525938818 /nfs/dbraw/zinc/93/88/18/525938818.db2.gz VXDVRDQVVSTMGD-KGYLQXTDSA-N 2 1 252.427 3.190 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000513111928 534911265 /nfs/dbraw/zinc/91/12/65/534911265.db2.gz PJFNIWVRDZVZJO-PBHICJAKSA-N 2 1 278.415 3.393 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000513111928 534911267 /nfs/dbraw/zinc/91/12/67/534911267.db2.gz PJFNIWVRDZVZJO-PBHICJAKSA-N 2 1 278.415 3.393 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423286431 527260313 /nfs/dbraw/zinc/26/03/13/527260313.db2.gz HEWVMLIXEMYLRY-ZDUSSCGKSA-N 2 1 286.341 3.483 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCOc2ccccc2)c2ccccc21 ZINC000157438922 527378265 /nfs/dbraw/zinc/37/82/65/527378265.db2.gz HLCBOUVXEIIZCW-MSOLQXFVSA-N 2 1 282.387 3.190 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(C)cc2)[C@H](C)C1 ZINC000175722844 527753766 /nfs/dbraw/zinc/75/37/66/527753766.db2.gz RFSWDTGQXOZOFC-SJLPKXTDSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(C)cc2)[C@H](C)C1 ZINC000175722844 527753769 /nfs/dbraw/zinc/75/37/69/527753769.db2.gz RFSWDTGQXOZOFC-SJLPKXTDSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(C)cc2)[C@H](C)C1 ZINC000175722844 527753776 /nfs/dbraw/zinc/75/37/76/527753776.db2.gz RFSWDTGQXOZOFC-SJLPKXTDSA-N 2 1 274.452 3.200 20 0 CGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000449091516 527859221 /nfs/dbraw/zinc/85/92/21/527859221.db2.gz KADZNBXFHBZAGR-DLBZAZTESA-N 2 1 296.499 3.028 20 0 CGADMP CCCCCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423339345 528237594 /nfs/dbraw/zinc/23/75/94/528237594.db2.gz WKWLSGPGLOQEOJ-ZIAGYGMSSA-N 2 1 264.413 3.253 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)[C@H]2CC2(C)C)C1 ZINC000414069912 528260887 /nfs/dbraw/zinc/26/08/87/528260887.db2.gz KSWXMUHVUXWXLE-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000414079186 528262671 /nfs/dbraw/zinc/26/26/71/528262671.db2.gz SOGXLDCJZPYMQO-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423257863 528311350 /nfs/dbraw/zinc/31/13/50/528311350.db2.gz AJWIGGULMJJLPJ-IWCQGFGOSA-N 2 1 260.425 3.142 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423229608 528331600 /nfs/dbraw/zinc/33/16/00/528331600.db2.gz BQXKTGUAXSCCPL-LBPRGKRZSA-N 2 1 288.357 3.226 20 0 CGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)COC)CC1)CC(C)C ZINC000358740010 528430065 /nfs/dbraw/zinc/43/00/65/528430065.db2.gz GVGYJBDQFSXQMY-INIZCTEOSA-N 2 1 284.488 3.101 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H](C)CCCC(F)(F)F)C(C)C ZINC000359664401 528513666 /nfs/dbraw/zinc/51/36/66/528513666.db2.gz YIEDDWATQWJCJL-LBPRGKRZSA-N 2 1 268.367 3.427 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H](C)CCCC(F)(F)F)C(C)C ZINC000359664401 528513670 /nfs/dbraw/zinc/51/36/70/528513670.db2.gz YIEDDWATQWJCJL-LBPRGKRZSA-N 2 1 268.367 3.427 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000423255747 528517675 /nfs/dbraw/zinc/51/76/75/528517675.db2.gz AQYKBTBEJFZADO-VHSXEESVSA-N 2 1 260.834 3.426 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccsc1 ZINC000414830736 528520187 /nfs/dbraw/zinc/52/01/87/528520187.db2.gz BMFITXCTNQZRDL-TZMCWYRMSA-N 2 1 254.443 3.032 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423266981 528534186 /nfs/dbraw/zinc/53/41/86/528534186.db2.gz FAZXYLMRKPILLX-MFKMUULPSA-N 2 1 274.330 3.339 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423268570 528534357 /nfs/dbraw/zinc/53/43/57/528534357.db2.gz GOIPQBSVFZITSV-QWHCGFSZSA-N 2 1 284.856 3.450 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427101763 528672591 /nfs/dbraw/zinc/67/25/91/528672591.db2.gz QDHYVSSKPAZQHU-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427101763 528672598 /nfs/dbraw/zinc/67/25/98/528672598.db2.gz QDHYVSSKPAZQHU-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423297867 528821536 /nfs/dbraw/zinc/82/15/36/528821536.db2.gz MFHFIUBFFMPJNN-IRXDYDNUSA-N 2 1 280.431 3.500 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C1CCC(COC)CC1)[NH+](C)C ZINC000449072820 528853598 /nfs/dbraw/zinc/85/35/98/528853598.db2.gz GSDBPDWXDLEKEE-PREGVCBESA-N 2 1 284.488 3.148 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000423286374 528949029 /nfs/dbraw/zinc/94/90/29/528949029.db2.gz GVXSNRBLFSNALU-ZDUSSCGKSA-N 2 1 294.439 3.180 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000423288354 528952648 /nfs/dbraw/zinc/95/26/48/528952648.db2.gz RVESXDKPBXAFAT-LLVKDONJSA-N 2 1 268.376 3.002 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423304552 528955474 /nfs/dbraw/zinc/95/54/74/528955474.db2.gz YYPXIXIQVPPTNZ-USXIJHARSA-N 2 1 275.440 3.215 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449006854 528971490 /nfs/dbraw/zinc/97/14/90/528971490.db2.gz ATOJIDHEMWYVIE-CYBMUJFWSA-N 2 1 296.405 3.484 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449006854 528971491 /nfs/dbraw/zinc/97/14/91/528971491.db2.gz ATOJIDHEMWYVIE-CYBMUJFWSA-N 2 1 296.405 3.484 20 0 CGADMP CCCCc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423505760 529028092 /nfs/dbraw/zinc/02/80/92/529028092.db2.gz GQBFIODPYOZKRG-MAUKXSAKSA-N 2 1 290.451 3.058 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423366267 529168206 /nfs/dbraw/zinc/16/82/06/529168206.db2.gz QCKAROUPAHHTST-IUODEOHRSA-N 2 1 268.351 3.148 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414177527 529168378 /nfs/dbraw/zinc/16/83/78/529168378.db2.gz JSOWBIDGAYCXRG-DOTOQJQBSA-N 2 1 260.425 3.459 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(OC)c(OC)c1 ZINC000423271236 529201913 /nfs/dbraw/zinc/20/19/13/529201913.db2.gz XQFYLNMZZMNVSW-HUUCEWRRSA-N 2 1 294.439 3.118 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423449563 529247753 /nfs/dbraw/zinc/24/77/53/529247753.db2.gz RUWORVHDVQKAED-WOPDTQHZSA-N 2 1 252.427 3.185 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000481030615 534958659 /nfs/dbraw/zinc/95/86/59/534958659.db2.gz ASQALWUWDBDUMX-LBTNJELSSA-N 2 1 290.426 3.381 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000480194462 535002845 /nfs/dbraw/zinc/00/28/45/535002845.db2.gz MLRLVWPDJSLPGT-CXAGYDPISA-N 2 1 278.415 3.379 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CCC(C)C)CC1 ZINC000482637399 535215694 /nfs/dbraw/zinc/21/56/94/535215694.db2.gz YGDNLEVBCKHVCR-GOSISDBHSA-N 2 1 298.515 3.227 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000514245489 535510042 /nfs/dbraw/zinc/51/00/42/535510042.db2.gz YRJONTGPPHKPQF-QGZVFWFLSA-N 2 1 290.451 3.119 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251339347 535937297 /nfs/dbraw/zinc/93/72/97/535937297.db2.gz ZGNRTDCJRGHIDR-IKGGRYGDSA-N 2 1 258.409 3.354 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553255 536472141 /nfs/dbraw/zinc/47/21/41/536472141.db2.gz XLXJOSNHGUFSDC-RBUKOAKNSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553255 536472145 /nfs/dbraw/zinc/47/21/45/536472145.db2.gz XLXJOSNHGUFSDC-RBUKOAKNSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553255 536472148 /nfs/dbraw/zinc/47/21/48/536472148.db2.gz XLXJOSNHGUFSDC-RBUKOAKNSA-N 2 1 284.447 3.480 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccoc1 ZINC000727465931 571748810 /nfs/dbraw/zinc/74/88/10/571748810.db2.gz POIXIFMRNSTTKC-CQSZACIVSA-N 2 1 250.386 3.024 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000225877448 572344013 /nfs/dbraw/zinc/34/40/13/572344013.db2.gz URQIABYXTKLWAP-LESCRADOSA-N 2 1 288.435 3.220 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000733309165 572553253 /nfs/dbraw/zinc/55/32/53/572553253.db2.gz CTYQFRSFDOYZLL-UHFFFAOYSA-N 2 1 293.455 3.350 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000733309165 572553256 /nfs/dbraw/zinc/55/32/56/572553256.db2.gz CTYQFRSFDOYZLL-UHFFFAOYSA-N 2 1 293.455 3.350 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924768534 620737273 /nfs/dbraw/zinc/73/72/73/620737273.db2.gz GOKXVGPQOLEQQH-QIPOYEBXSA-N 2 1 296.524 3.369 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924768534 620737277 /nfs/dbraw/zinc/73/72/77/620737277.db2.gz GOKXVGPQOLEQQH-QIPOYEBXSA-N 2 1 296.524 3.369 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000075713440 617753696 /nfs/dbraw/zinc/75/36/96/617753696.db2.gz OYFZPFPBZRCLJK-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000892105370 618534204 /nfs/dbraw/zinc/53/42/04/618534204.db2.gz KIELLOUAHMOVAF-AEFFLSMTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000892105370 618534210 /nfs/dbraw/zinc/53/42/10/618534210.db2.gz KIELLOUAHMOVAF-AEFFLSMTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000892105370 618534221 /nfs/dbraw/zinc/53/42/21/618534221.db2.gz KIELLOUAHMOVAF-AEFFLSMTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000892105370 618534227 /nfs/dbraw/zinc/53/42/27/618534227.db2.gz KIELLOUAHMOVAF-AEFFLSMTSA-N 2 1 274.452 3.260 20 0 CGADMP CSCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000892105753 618534513 /nfs/dbraw/zinc/53/45/13/618534513.db2.gz QHNSSPDSFUPQFK-RHSMWYFYSA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000892105753 618534517 /nfs/dbraw/zinc/53/45/17/618534517.db2.gz QHNSSPDSFUPQFK-RHSMWYFYSA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000892105753 618534523 /nfs/dbraw/zinc/53/45/23/618534523.db2.gz QHNSSPDSFUPQFK-RHSMWYFYSA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000892105753 618534525 /nfs/dbraw/zinc/53/45/25/618534525.db2.gz QHNSSPDSFUPQFK-RHSMWYFYSA-N 2 1 292.492 3.464 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106398 618535101 /nfs/dbraw/zinc/53/51/01/618535101.db2.gz UWPDSXRGXCIPOQ-YJBOKZPZSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106398 618535109 /nfs/dbraw/zinc/53/51/09/618535109.db2.gz UWPDSXRGXCIPOQ-YJBOKZPZSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106398 618535123 /nfs/dbraw/zinc/53/51/23/618535123.db2.gz UWPDSXRGXCIPOQ-YJBOKZPZSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2(CCCOC)CCC2)C1 ZINC000892121161 618542064 /nfs/dbraw/zinc/54/20/64/618542064.db2.gz QHPLIIIMVIXOEQ-QGZVFWFLSA-N 2 1 296.499 3.247 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2(CCCOC)CCC2)C1 ZINC000892121160 618542669 /nfs/dbraw/zinc/54/26/69/618542669.db2.gz QHPLIIIMVIXOEQ-KRWDZBQOSA-N 2 1 296.499 3.247 20 0 CGADMP Clc1ccc2c(c1Cl)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000262167575 618658466 /nfs/dbraw/zinc/65/84/66/618658466.db2.gz HKLKICMIWBVFLV-UHFFFAOYSA-N 2 1 299.245 3.351 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000161630023 618703021 /nfs/dbraw/zinc/70/30/21/618703021.db2.gz KEEQXVURLQAVAI-GFCCVEGCSA-N 2 1 281.831 3.260 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CCC([NH3+])CC1 ZINC000091844767 618737327 /nfs/dbraw/zinc/73/73/27/618737327.db2.gz LYSJELDWHYZOCX-UHFFFAOYSA-N 2 1 286.341 3.407 20 0 CGADMP Fc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C(F)F ZINC000892606474 618872433 /nfs/dbraw/zinc/87/24/33/618872433.db2.gz AVBKHGMENUWTGM-STQMWFEESA-N 2 1 298.352 3.480 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C(F)F ZINC000892606474 618872434 /nfs/dbraw/zinc/87/24/34/618872434.db2.gz AVBKHGMENUWTGM-STQMWFEESA-N 2 1 298.352 3.480 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C(F)F ZINC000892606474 618872436 /nfs/dbraw/zinc/87/24/36/618872436.db2.gz AVBKHGMENUWTGM-STQMWFEESA-N 2 1 298.352 3.480 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(Br)c1 ZINC000019905672 618974182 /nfs/dbraw/zinc/97/41/82/618974182.db2.gz JPZLOZIKRFQCQD-UHFFFAOYSA-N 2 1 299.256 3.127 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925558561 619058149 /nfs/dbraw/zinc/05/81/49/619058149.db2.gz GJRHZHXKJODEOK-NWDGAFQWSA-N 2 1 281.469 3.262 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cc2ccccc2o1 ZINC000925643083 619102874 /nfs/dbraw/zinc/10/28/74/619102874.db2.gz DVZJCESYDMYIGS-XFBWCDHKSA-N 2 1 270.376 3.353 20 0 CGADMP c1ccc2c(c1)SC[C@H]2C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925678871 619127961 /nfs/dbraw/zinc/12/79/61/619127961.db2.gz HHMHKRWCRSKKKX-CZUORRHYSA-N 2 1 288.460 3.140 20 0 CGADMP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000925737602 619211344 /nfs/dbraw/zinc/21/13/44/619211344.db2.gz RTZWCXDQXXNNMZ-IRXDYDNUSA-N 2 1 288.435 3.322 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261541949 619288460 /nfs/dbraw/zinc/28/84/60/619288460.db2.gz MXDXKQSPUJRIOW-FRRDWIJNSA-N 2 1 252.427 3.129 20 0 CGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Cl ZINC000261978956 619510646 /nfs/dbraw/zinc/51/06/46/619510646.db2.gz IYWALUVAWVWTSM-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+](C)CC1(C[NH2+]Cc2nccc3ccccc32)CCCC1 ZINC000894463746 619544920 /nfs/dbraw/zinc/54/49/20/619544920.db2.gz DFSXQWBPOXDSLH-UHFFFAOYSA-N 2 1 297.446 3.446 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000925142558 620172187 /nfs/dbraw/zinc/17/21/87/620172187.db2.gz OLCIEKXSQIYXMU-SUJAAXHWSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC[N@H+]1C ZINC000925142558 620172189 /nfs/dbraw/zinc/17/21/89/620172189.db2.gz OLCIEKXSQIYXMU-SUJAAXHWSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C2CCC2)c1 ZINC000925219457 620235280 /nfs/dbraw/zinc/23/52/80/620235280.db2.gz DIISHYHHPSHYAK-QRTARXTBSA-N 2 1 290.455 3.132 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000925223505 620241851 /nfs/dbraw/zinc/24/18/51/620241851.db2.gz WCBPFLGDARLDPH-JFIYKMOQSA-N 2 1 287.451 3.385 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000897414478 620295486 /nfs/dbraw/zinc/29/54/86/620295486.db2.gz CYAQHXXCEKLBDE-FMKPAKJESA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000897414478 620295489 /nfs/dbraw/zinc/29/54/89/620295489.db2.gz CYAQHXXCEKLBDE-FMKPAKJESA-N 2 1 276.424 3.137 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)CC2)cc1 ZINC000897955005 620454707 /nfs/dbraw/zinc/45/47/07/620454707.db2.gz NTSFPOFHHJBIJP-YTQUADARSA-N 2 1 284.447 3.429 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000897955146 620455470 /nfs/dbraw/zinc/45/54/70/620455470.db2.gz PVPLJVOFMWDPON-YZGWKJHDSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981841 620462240 /nfs/dbraw/zinc/46/22/40/620462240.db2.gz SAZHYXJKJHLPJR-CYBMUJFWSA-N 2 1 278.465 3.286 20 0 CGADMP FC1(F)CC[C@H](CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000898017847 620466951 /nfs/dbraw/zinc/46/69/51/620466951.db2.gz UTVHZFNJMMVTRO-MGPQQGTHSA-N 2 1 272.383 3.028 20 0 CGADMP C[C@@H]([NH2+]C[Si](C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750728 625429724 /nfs/dbraw/zinc/42/97/24/625429724.db2.gz HBHPPNIJVOGPHJ-ZIAGYGMSSA-N 2 1 268.521 3.106 20 0 CGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000924626795 620545441 /nfs/dbraw/zinc/54/54/41/620545441.db2.gz LVVQZMXXAGPRIA-DYPLGBCKSA-N 2 1 290.373 3.037 20 0 CGADMP CNc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000902078676 621128383 /nfs/dbraw/zinc/12/83/83/621128383.db2.gz QCXVQXBGROOHMF-UHFFFAOYSA-N 2 1 275.440 3.081 20 0 CGADMP CCNc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000902196424 621190835 /nfs/dbraw/zinc/19/08/35/621190835.db2.gz VPFPLOJUBIUZEW-AWEZNQCLSA-N 2 1 286.423 3.049 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2COc3c2cccc3Cl)C1 ZINC000902352315 621285306 /nfs/dbraw/zinc/28/53/06/621285306.db2.gz KNTWWQOKKYXKGX-FZMZJTMJSA-N 2 1 294.826 3.141 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902407221 621292957 /nfs/dbraw/zinc/29/29/57/621292957.db2.gz QELPAAXLIBCCFT-CYBMUJFWSA-N 2 1 262.397 3.007 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000902408560 621294086 /nfs/dbraw/zinc/29/40/86/621294086.db2.gz ZBDPBTQYTWEPHO-JSGCOSHPSA-N 2 1 264.800 3.057 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902727008 621414203 /nfs/dbraw/zinc/41/42/03/621414203.db2.gz WIOPCJXNTSKZEH-SJLPKXTDSA-N 2 1 294.483 3.046 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCC3(CC3)CC1)C2 ZINC000903158549 621603383 /nfs/dbraw/zinc/60/33/83/621603383.db2.gz BJNKVKKEMSGHBM-ZXFUBFMLSA-N 2 1 274.452 3.457 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC3(CCC3)C1)C2 ZINC000903195896 621621874 /nfs/dbraw/zinc/62/18/74/621621874.db2.gz CQRLNJGZKNLTHQ-SFESLNEESA-N 2 1 260.425 3.067 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1(CC2CC2)CC1 ZINC000903217756 621632830 /nfs/dbraw/zinc/63/28/30/621632830.db2.gz ZKGSNMXURUGNKN-ZXFUBFMLSA-N 2 1 274.452 3.314 20 0 CGADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431735 621743883 /nfs/dbraw/zinc/74/38/83/621743883.db2.gz WXLAGSDCDBCUGS-OCCSQVGLSA-N 2 1 266.816 3.017 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)c1ccc(F)cc1 ZINC000903431113 621744601 /nfs/dbraw/zinc/74/46/01/621744601.db2.gz NORXYOHZKVPHSP-ZENOOKHLSA-N 2 1 264.388 3.336 20 0 CGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903443813 621755832 /nfs/dbraw/zinc/75/58/32/621755832.db2.gz INJLEXDPAPAGAZ-HFTRVMKXSA-N 2 1 287.451 3.017 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903455303 621762305 /nfs/dbraw/zinc/76/23/05/621762305.db2.gz SNPUIKONHJEOLT-UDUPFKKZSA-N 2 1 294.389 3.011 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000903730627 621797837 /nfs/dbraw/zinc/79/78/37/621797837.db2.gz YCPVNYNOYCLBBT-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP CC[C@](C)([NH2+]C[C@H]1CCCC[NH2+]C1)c1nc(C)cs1 ZINC000903741416 621801934 /nfs/dbraw/zinc/80/19/34/621801934.db2.gz PSOFRFICVNIIHO-ZFWWWQNUSA-N 2 1 281.469 3.056 20 0 CGADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC000903788356 621808971 /nfs/dbraw/zinc/80/89/71/621808971.db2.gz IYXSWLGWUCXBPP-FFHGMXDLSA-N 2 1 286.410 3.274 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000903887284 621822330 /nfs/dbraw/zinc/82/23/30/621822330.db2.gz YDZGTKMLNNPLQP-OAHLLOKOSA-N 2 1 282.378 3.271 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903892583 621827641 /nfs/dbraw/zinc/82/76/41/621827641.db2.gz UZRTYEKYXOCJBM-FVPDABNVSA-N 2 1 264.457 3.416 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000903898883 621829747 /nfs/dbraw/zinc/82/97/47/621829747.db2.gz OZCMXYXLWSCKRI-ZIAGYGMSSA-N 2 1 274.399 3.404 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000903898883 621829749 /nfs/dbraw/zinc/82/97/49/621829749.db2.gz OZCMXYXLWSCKRI-ZIAGYGMSSA-N 2 1 274.399 3.404 20 0 CGADMP CC(C)([NH2+]C[C@@H]([NH3+])CC(F)F)c1cccc(Cl)c1 ZINC000903903521 621831706 /nfs/dbraw/zinc/83/17/06/621831706.db2.gz UXZJZTLMYUMKHF-NSHDSACASA-N 2 1 276.758 3.147 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)CC(F)F ZINC000903935435 621835408 /nfs/dbraw/zinc/83/54/08/621835408.db2.gz PKRIWDYVJVKHBK-WCQYABFASA-N 2 1 288.769 3.290 20 0 CGADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCC2 ZINC000903917266 621836085 /nfs/dbraw/zinc/83/60/85/621836085.db2.gz YAKSFPRMLNZRDP-HNSVSWJLSA-N 2 1 262.441 3.029 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960015 621837543 /nfs/dbraw/zinc/83/75/43/621837543.db2.gz VCMIHNZSQFFZQE-IBGZPJMESA-N 2 1 295.430 3.200 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972421 621843812 /nfs/dbraw/zinc/84/38/12/621843812.db2.gz IIQMQANSAFPBCA-NVXWUHKLSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000903963989 621845311 /nfs/dbraw/zinc/84/53/11/621845311.db2.gz CTBSEYLIJQSBKV-MNOVXSKESA-N 2 1 278.783 3.031 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000904313156 621904034 /nfs/dbraw/zinc/90/40/34/621904034.db2.gz RNSHJCPUMHYTQF-VHDGCEQUSA-N 2 1 278.827 3.084 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000904326759 621907531 /nfs/dbraw/zinc/90/75/31/621907531.db2.gz RXCHNANILYSTEW-WVSHTKLVSA-N 2 1 285.218 3.089 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)C1 ZINC000904345681 621910399 /nfs/dbraw/zinc/91/03/99/621910399.db2.gz INQWJFWKDHGPTO-YYTXDEJISA-N 2 1 284.447 3.382 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCc2cccc(F)c2)C2CCCC2)C1 ZINC000904345147 621910541 /nfs/dbraw/zinc/91/05/41/621910541.db2.gz DKGSDNRNXZGMIQ-WOVMCDHWSA-N 2 1 290.426 3.350 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000904373916 621914050 /nfs/dbraw/zinc/91/40/50/621914050.db2.gz LNZZLWVXDRPNFU-AKAXFMLLSA-N 2 1 282.387 3.042 20 0 CGADMP Cc1nc2ccc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cc2s1 ZINC000904409837 621919546 /nfs/dbraw/zinc/91/95/46/621919546.db2.gz JQQCXTBJERMIPZ-RISCZKNCSA-N 2 1 289.448 3.021 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000229574341 623145635 /nfs/dbraw/zinc/14/56/35/623145635.db2.gz IVWDLOQFSQSIPH-GDBMZVCRSA-N 2 1 278.415 3.077 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000230730540 623266315 /nfs/dbraw/zinc/26/63/15/623266315.db2.gz QKYUFILVMBRECG-FUHWJXTLSA-N 2 1 292.467 3.162 20 0 CGADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000929686105 623508721 /nfs/dbraw/zinc/50/87/21/623508721.db2.gz DVUZEMUKJTVTKV-GOSISDBHSA-N 2 1 287.451 3.149 20 0 CGADMP Cc1cc(C)nc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000929686105 623508726 /nfs/dbraw/zinc/50/87/26/623508726.db2.gz DVUZEMUKJTVTKV-GOSISDBHSA-N 2 1 287.451 3.149 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(C)sc32)CC1 ZINC000764638723 623927409 /nfs/dbraw/zinc/92/74/09/623927409.db2.gz LOHZEGWODFRNSR-OAHLLOKOSA-N 2 1 293.480 3.293 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000921688724 625839882 /nfs/dbraw/zinc/83/98/82/625839882.db2.gz CLGYTBUJCWNAQY-OWCLPIDISA-N 2 1 284.513 3.371 20 0 CGADMP CS[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000921790745 625876099 /nfs/dbraw/zinc/87/60/99/625876099.db2.gz MWMJENFWOMMVHQ-IXIBIKRGSA-N 2 1 282.497 3.266 20 0 CGADMP CS[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000921790745 625876102 /nfs/dbraw/zinc/87/61/02/625876102.db2.gz MWMJENFWOMMVHQ-IXIBIKRGSA-N 2 1 282.497 3.266 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC[NH2+]C1CC1 ZINC000923316202 626144569 /nfs/dbraw/zinc/14/45/69/626144569.db2.gz NJAKNSAPIQPOJB-ZBFHGGJFSA-N 2 1 258.409 3.007 20 0 CGADMP c1cc2c(s1)CCC[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923312485 626145163 /nfs/dbraw/zinc/14/51/63/626145163.db2.gz IAJCVOGSWGRHOD-VHRNVKJDSA-N 2 1 290.476 3.417 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491766 626157618 /nfs/dbraw/zinc/15/76/18/626157618.db2.gz UBUMESMNPQAWRR-HUUCEWRRSA-N 2 1 289.467 3.184 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)C1 ZINC000923526375 626161167 /nfs/dbraw/zinc/16/11/67/626161167.db2.gz PAFNXCRPCUCDFP-VNJGFHPDSA-N 2 1 270.420 3.292 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000923530709 626161717 /nfs/dbraw/zinc/16/17/17/626161717.db2.gz IGPCZUSRKFTCNE-IJEWVQPXSA-N 2 1 278.465 3.001 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923548876 626162953 /nfs/dbraw/zinc/16/29/53/626162953.db2.gz BGEMIGWCMWIBQA-QGZVFWFLSA-N 2 1 282.472 3.034 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000124739437 634495637 /nfs/dbraw/zinc/49/56/37/634495637.db2.gz PPEUAXYDPQJAHI-UHFFFAOYSA-N 2 1 292.370 3.340 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000124739437 634495643 /nfs/dbraw/zinc/49/56/43/634495643.db2.gz PPEUAXYDPQJAHI-UHFFFAOYSA-N 2 1 292.370 3.340 20 0 CGADMP CC(C)[N@H+](C)CC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763531646 627163820 /nfs/dbraw/zinc/16/38/20/627163820.db2.gz BQCJKLYXPIMUKD-MDWZMJQESA-N 2 1 279.255 3.358 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763531646 627163823 /nfs/dbraw/zinc/16/38/23/627163823.db2.gz BQCJKLYXPIMUKD-MDWZMJQESA-N 2 1 279.255 3.358 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCc2ccccc2)cc1 ZINC000768236199 627470326 /nfs/dbraw/zinc/47/03/26/627470326.db2.gz ATZQNCRUMTUENR-UHFFFAOYSA-N 2 1 282.431 3.423 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000770732437 627640646 /nfs/dbraw/zinc/64/06/46/627640646.db2.gz CMNHQODWNKIIJL-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000770732437 627640649 /nfs/dbraw/zinc/64/06/49/627640649.db2.gz CMNHQODWNKIIJL-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc(C)c2)[C@H](C)C1 ZINC000772951861 627834817 /nfs/dbraw/zinc/83/48/17/627834817.db2.gz PCMMVLOXSDKOBY-SJLPKXTDSA-N 2 1 290.451 3.084 20 0 CGADMP c1ccc2c(c1)cncc2C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000776064261 628161821 /nfs/dbraw/zinc/16/18/21/628161821.db2.gz IQEAZDPDBVQALF-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000780291822 628478771 /nfs/dbraw/zinc/47/87/71/628478771.db2.gz ADNUHQMTZKDRPE-INIZCTEOSA-N 2 1 272.436 3.133 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000780291822 628478773 /nfs/dbraw/zinc/47/87/73/628478773.db2.gz ADNUHQMTZKDRPE-INIZCTEOSA-N 2 1 272.436 3.133 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292987 628479468 /nfs/dbraw/zinc/47/94/68/628479468.db2.gz OZIMITGKCBVTFE-MJGOQNOKSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292987 628479471 /nfs/dbraw/zinc/47/94/71/628479471.db2.gz OZIMITGKCBVTFE-MJGOQNOKSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292987 628479477 /nfs/dbraw/zinc/47/94/77/628479477.db2.gz OZIMITGKCBVTFE-MJGOQNOKSA-N 2 1 298.474 3.380 20 0 CGADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782182492 628621368 /nfs/dbraw/zinc/62/13/68/628621368.db2.gz CMVQSPFEYRWTNQ-GOSISDBHSA-N 2 1 290.451 3.420 20 0 CGADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000788480602 628663590 /nfs/dbraw/zinc/66/35/90/628663590.db2.gz ARKZGNFWIZAPSP-YOEHRIQHSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]2C)C1 ZINC000783238959 628692608 /nfs/dbraw/zinc/69/26/08/628692608.db2.gz ICIXIJDUPBIJNB-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]2C)C1 ZINC000783238959 628692610 /nfs/dbraw/zinc/69/26/10/628692610.db2.gz ICIXIJDUPBIJNB-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000788480499 629058292 /nfs/dbraw/zinc/05/82/92/629058292.db2.gz KSZDEGOBZLILMI-RHSMWYFYSA-N 2 1 290.426 3.345 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(C)oc2C)CC1 ZINC000119351653 629498331 /nfs/dbraw/zinc/49/83/31/629498331.db2.gz CLSUQEFIMFUPEW-UHFFFAOYSA-N 2 1 264.413 3.251 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(C)(C)C ZINC000796770494 629830012 /nfs/dbraw/zinc/83/00/12/629830012.db2.gz DFVQFMNWXYHHEF-TUVASFSCSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865417043 630113008 /nfs/dbraw/zinc/11/30/08/630113008.db2.gz WCVLIVUCCPEQBY-GJZGRUSLSA-N 2 1 278.827 3.365 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCc3cccs3)C2)CC1 ZINC000799177586 630153467 /nfs/dbraw/zinc/15/34/67/630153467.db2.gz WULBAIGZULXHIL-UHFFFAOYSA-N 2 1 278.465 3.098 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@]12C[C@H]1CCCC2 ZINC000865703665 630397416 /nfs/dbraw/zinc/39/74/16/630397416.db2.gz KNMKUAPJRPOPMQ-HWMZRRJGSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C(C)(C)C ZINC000802653093 630402598 /nfs/dbraw/zinc/40/25/98/630402598.db2.gz XKCDIKAZGWMHCL-OAHLLOKOSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878288048 635444606 /nfs/dbraw/zinc/44/46/06/635444606.db2.gz MZILLWMNMDJYCR-HNNXBMFYSA-N 2 1 293.455 3.107 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878288048 635444611 /nfs/dbraw/zinc/44/46/11/635444611.db2.gz MZILLWMNMDJYCR-HNNXBMFYSA-N 2 1 293.455 3.107 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000810261932 630861200 /nfs/dbraw/zinc/86/12/00/630861200.db2.gz HNVSXFFEGKULJG-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000810261932 630861204 /nfs/dbraw/zinc/86/12/04/630861204.db2.gz HNVSXFFEGKULJG-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000817888409 632229197 /nfs/dbraw/zinc/22/91/97/632229197.db2.gz LINOHRWKXUWDCM-IAGOWNOFSA-N 2 1 276.424 3.223 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nc2ccccc2s1 ZINC000817894889 632230845 /nfs/dbraw/zinc/23/08/45/632230845.db2.gz RWOJVWGWWJJMQM-GARJFASQSA-N 2 1 263.410 3.073 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)c1c[nH+]ccc1N)SC ZINC000817897914 632231951 /nfs/dbraw/zinc/23/19/51/632231951.db2.gz ASESIJOBQBENCM-LLVKDONJSA-N 2 1 267.442 3.067 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000817910347 632233427 /nfs/dbraw/zinc/23/34/27/632233427.db2.gz RZGYCMMJSPQFOE-DHSIGJKJSA-N 2 1 298.386 3.186 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000817910349 632233949 /nfs/dbraw/zinc/23/39/49/632233949.db2.gz RZGYCMMJSPQFOE-JOQOYGCGSA-N 2 1 298.386 3.186 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817929619 632236509 /nfs/dbraw/zinc/23/65/09/632236509.db2.gz IXYSKPGMMMSNGH-KBPBESRZSA-N 2 1 295.858 3.444 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccnc(Cl)c1 ZINC000817959222 632254813 /nfs/dbraw/zinc/25/48/13/632254813.db2.gz QQADNKAFIOGUMR-BXUZGUMPSA-N 2 1 281.831 3.293 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])ccc1SC(F)F ZINC000817971362 632265024 /nfs/dbraw/zinc/26/50/24/632265024.db2.gz LNGKRXYGZHFBNP-RKDXNWHRSA-N 2 1 290.379 3.008 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663655 633002273 /nfs/dbraw/zinc/00/22/73/633002273.db2.gz GWSPJGMOKBEYQU-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663655 633002275 /nfs/dbraw/zinc/00/22/75/633002275.db2.gz GWSPJGMOKBEYQU-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663655 633002280 /nfs/dbraw/zinc/00/22/80/633002280.db2.gz GWSPJGMOKBEYQU-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663655 633002281 /nfs/dbraw/zinc/00/22/81/633002281.db2.gz GWSPJGMOKBEYQU-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663655 633002288 /nfs/dbraw/zinc/00/22/88/633002288.db2.gz GWSPJGMOKBEYQU-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000866243054 633041786 /nfs/dbraw/zinc/04/17/86/633041786.db2.gz FQDNOAHAJHDRNK-BRWVUGGUSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000866243054 633041787 /nfs/dbraw/zinc/04/17/87/633041787.db2.gz FQDNOAHAJHDRNK-BRWVUGGUSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000866243327 633041801 /nfs/dbraw/zinc/04/18/01/633041801.db2.gz PYBIUJOGUYIHLA-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000866243327 633041803 /nfs/dbraw/zinc/04/18/03/633041803.db2.gz PYBIUJOGUYIHLA-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997913 635894521 /nfs/dbraw/zinc/89/45/21/635894521.db2.gz YAXUGUPQWZQMGD-MJGOQNOKSA-N 2 1 284.447 3.061 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997913 635894523 /nfs/dbraw/zinc/89/45/23/635894523.db2.gz YAXUGUPQWZQMGD-MJGOQNOKSA-N 2 1 284.447 3.061 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997913 635894525 /nfs/dbraw/zinc/89/45/25/635894525.db2.gz YAXUGUPQWZQMGD-MJGOQNOKSA-N 2 1 284.447 3.061 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866360447 633100214 /nfs/dbraw/zinc/10/02/14/633100214.db2.gz WEDKANSGHSFVMD-HOTGVXAUSA-N 2 1 277.456 3.113 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866360447 633100220 /nfs/dbraw/zinc/10/02/20/633100220.db2.gz WEDKANSGHSFVMD-HOTGVXAUSA-N 2 1 277.456 3.113 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC000866450525 633139643 /nfs/dbraw/zinc/13/96/43/633139643.db2.gz VRSPRJKSPAUKHW-UONOGXRCSA-N 2 1 256.409 3.120 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000866720011 633235730 /nfs/dbraw/zinc/23/57/30/633235730.db2.gz GPIDFYWJMUDYIZ-SFHVURJKSA-N 2 1 287.451 3.307 20 0 CGADMP CSC(C)(C)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000876559691 634857810 /nfs/dbraw/zinc/85/78/10/634857810.db2.gz DKHDWMFFALQRLS-UHFFFAOYSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827933316 633536942 /nfs/dbraw/zinc/53/69/42/633536942.db2.gz VBMXEMPGSUNSFB-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827933316 633536944 /nfs/dbraw/zinc/53/69/44/633536944.db2.gz VBMXEMPGSUNSFB-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000872075693 633998989 /nfs/dbraw/zinc/99/89/89/633998989.db2.gz UECFBNAKZCFKCS-SQNIBIBYSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000872086216 634011439 /nfs/dbraw/zinc/01/14/39/634011439.db2.gz SUWIUWDKXCKFQI-JZXOWHBKSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000872086216 634011445 /nfs/dbraw/zinc/01/14/45/634011445.db2.gz SUWIUWDKXCKFQI-JZXOWHBKSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(SC(F)F)cc1)C2 ZINC000872154045 634066523 /nfs/dbraw/zinc/06/65/23/634066523.db2.gz RRNJEECTLQSBPD-SWLSCSKDSA-N 2 1 298.402 3.043 20 0 CGADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(SC(F)F)cc1)C2 ZINC000872154045 634066530 /nfs/dbraw/zinc/06/65/30/634066530.db2.gz RRNJEECTLQSBPD-SWLSCSKDSA-N 2 1 298.402 3.043 20 0 CGADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157753 634067407 /nfs/dbraw/zinc/06/74/07/634067407.db2.gz QUEUEVCDWSEMQK-CWLKWCNXSA-N 2 1 294.483 3.031 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1)C1CCCC1 ZINC000872157040 634067993 /nfs/dbraw/zinc/06/79/93/634067993.db2.gz NCYYFRLDUUIHAH-CGTJXYLNSA-N 2 1 294.483 3.175 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2nccs2)C1)C1CCCC1 ZINC000872156972 634068144 /nfs/dbraw/zinc/06/81/44/634068144.db2.gz MVXPHEKXPYJTNR-DZGCQCFKSA-N 2 1 293.480 3.263 20 0 CGADMP CCOCCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158279 634069495 /nfs/dbraw/zinc/06/94/95/634069495.db2.gz UQDFCTCERIKBFJ-DOTOQJQBSA-N 2 1 282.472 3.033 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccnc1Cl ZINC000834908635 634283002 /nfs/dbraw/zinc/28/30/02/634283002.db2.gz GEPRFEMNGSGRQX-GFCCVEGCSA-N 2 1 281.831 3.260 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000873223069 634291252 /nfs/dbraw/zinc/29/12/52/634291252.db2.gz HOBGQCYCOVNUJF-LJQANCHMSA-N 2 1 297.446 3.432 20 0 CGADMP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CC[C@](C)(c3ccccc3)C1)C2 ZINC000873229365 634291351 /nfs/dbraw/zinc/29/13/51/634291351.db2.gz VFSBYPQSLHBSEW-CADBVGFASA-N 2 1 284.447 3.038 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2cncs2)C1)C1CCCC1 ZINC000873232460 634294312 /nfs/dbraw/zinc/29/43/12/634294312.db2.gz QEEREOZHSBTEFI-XJKSGUPXSA-N 2 1 293.480 3.263 20 0 CGADMP Cn1ccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232662 634294720 /nfs/dbraw/zinc/29/47/20/634294720.db2.gz VCYCHSPVWBGWRM-QAPCUYQASA-N 2 1 289.467 3.145 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873238417 634296972 /nfs/dbraw/zinc/29/69/72/634296972.db2.gz ZSQTZIYBKIIZCA-WDEREUQCSA-N 2 1 266.351 3.085 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])s1 ZINC000873282577 634316145 /nfs/dbraw/zinc/31/61/45/634316145.db2.gz VNCHGBWEHZATJZ-RYUDHWBXSA-N 2 1 252.427 3.015 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)SC)C1 ZINC000876775569 634897676 /nfs/dbraw/zinc/89/76/76/634897676.db2.gz YJESTQOAXNFRRU-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)SC)C1 ZINC000876775569 634897678 /nfs/dbraw/zinc/89/76/78/634897678.db2.gz YJESTQOAXNFRRU-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)SC)C1 ZINC000876775569 634897681 /nfs/dbraw/zinc/89/76/81/634897681.db2.gz YJESTQOAXNFRRU-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000876779849 634898038 /nfs/dbraw/zinc/89/80/38/634898038.db2.gz CPQZOJKLPVZTPN-HNNXBMFYSA-N 2 1 284.513 3.182 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000876779849 634898041 /nfs/dbraw/zinc/89/80/41/634898041.db2.gz CPQZOJKLPVZTPN-HNNXBMFYSA-N 2 1 284.513 3.182 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000876779849 634898046 /nfs/dbraw/zinc/89/80/46/634898046.db2.gz CPQZOJKLPVZTPN-HNNXBMFYSA-N 2 1 284.513 3.182 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000876933723 634931305 /nfs/dbraw/zinc/93/13/05/634931305.db2.gz XLCLDROWVPZCDR-QWHCGFSZSA-N 2 1 293.282 3.282 20 0 CGADMP CCCCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1Cl ZINC000841054996 635115707 /nfs/dbraw/zinc/11/57/07/635115707.db2.gz KBIFAWFWVDJLDA-CHWSQXEVSA-N 2 1 298.862 3.005 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000877738118 635171274 /nfs/dbraw/zinc/17/12/74/635171274.db2.gz AASUPIIBQXUURY-QZTJIDSGSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000877738118 635171278 /nfs/dbraw/zinc/17/12/78/635171278.db2.gz AASUPIIBQXUURY-QZTJIDSGSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000877738118 635171282 /nfs/dbraw/zinc/17/12/82/635171282.db2.gz AASUPIIBQXUURY-QZTJIDSGSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000877738118 635171285 /nfs/dbraw/zinc/17/12/85/635171285.db2.gz AASUPIIBQXUURY-QZTJIDSGSA-N 2 1 270.420 3.090 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739548 635176007 /nfs/dbraw/zinc/17/60/07/635176007.db2.gz HEALIYNIIFIQKT-YLFCFFPRSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739548 635176011 /nfs/dbraw/zinc/17/60/11/635176011.db2.gz HEALIYNIIFIQKT-YLFCFFPRSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877739548 635176015 /nfs/dbraw/zinc/17/60/15/635176015.db2.gz HEALIYNIIFIQKT-YLFCFFPRSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877739548 635176017 /nfs/dbraw/zinc/17/60/17/635176017.db2.gz HEALIYNIIFIQKT-YLFCFFPRSA-N 2 1 262.441 3.005 20 0 CGADMP Cc1ccccc1[C@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000842473473 635378564 /nfs/dbraw/zinc/37/85/64/635378564.db2.gz VIJUUWMOSQJRKM-GOSISDBHSA-N 2 1 290.451 3.278 20 0 CGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)oc21 ZINC000843051949 635550526 /nfs/dbraw/zinc/55/05/26/635550526.db2.gz NAWCXMALAWIAGZ-GXTWGEPZSA-N 2 1 288.391 3.001 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000843055979 635553345 /nfs/dbraw/zinc/55/33/45/635553345.db2.gz UKPYVQFNABIEGB-NSCUHMNNSA-N 2 1 262.372 3.041 20 0 CGADMP COc1cccc2cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)oc21 ZINC000843055963 635553624 /nfs/dbraw/zinc/55/36/24/635553624.db2.gz AXIHCUWVZSCMIR-OAHLLOKOSA-N 2 1 290.407 3.247 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000843062162 635555781 /nfs/dbraw/zinc/55/57/81/635555781.db2.gz MCWGZDSYKKIGOV-JKSUJKDBSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000843062162 635555783 /nfs/dbraw/zinc/55/57/83/635555783.db2.gz MCWGZDSYKKIGOV-JKSUJKDBSA-N 2 1 280.362 3.101 20 0 CGADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000843119124 635560557 /nfs/dbraw/zinc/56/05/57/635560557.db2.gz DYCVTKDFGLAGBO-LBPRGKRZSA-N 2 1 286.341 3.232 20 0 CGADMP CC(C)([NH3+])C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000843119124 635560559 /nfs/dbraw/zinc/56/05/59/635560559.db2.gz DYCVTKDFGLAGBO-LBPRGKRZSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000843355451 635652166 /nfs/dbraw/zinc/65/21/66/635652166.db2.gz POVJNYFUVNHUEG-WXLSXGNJSA-N 2 1 252.446 3.405 20 0 CGADMP Cc1cncc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000879749747 635852614 /nfs/dbraw/zinc/85/26/14/635852614.db2.gz KYCNBXLUCWEOKG-IAGOWNOFSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cncc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000879749747 635852622 /nfs/dbraw/zinc/85/26/22/635852622.db2.gz KYCNBXLUCWEOKG-IAGOWNOFSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cncc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000879749747 635852626 /nfs/dbraw/zinc/85/26/26/635852626.db2.gz KYCNBXLUCWEOKG-IAGOWNOFSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1csc([C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000880009357 635897665 /nfs/dbraw/zinc/89/76/65/635897665.db2.gz NBMCYMMCNHLRTG-CABCVRRESA-N 2 1 293.480 3.115 20 0 CGADMP Cc1csc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000880009357 635897667 /nfs/dbraw/zinc/89/76/67/635897667.db2.gz NBMCYMMCNHLRTG-CABCVRRESA-N 2 1 293.480 3.115 20 0 CGADMP Cc1csc([C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000880009357 635897668 /nfs/dbraw/zinc/89/76/68/635897668.db2.gz NBMCYMMCNHLRTG-CABCVRRESA-N 2 1 293.480 3.115 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Cl)nc1 ZINC000844924330 635986223 /nfs/dbraw/zinc/98/62/23/635986223.db2.gz OPEWDRLQCLHGFA-JTQLQIEISA-N 2 1 293.773 3.184 20 0 CGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cccnc1Cl ZINC000880517822 636013256 /nfs/dbraw/zinc/01/32/56/636013256.db2.gz XMORKTZDSRWEGH-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccnc1Cl ZINC000880517822 636013259 /nfs/dbraw/zinc/01/32/59/636013259.db2.gz XMORKTZDSRWEGH-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218163 636161066 /nfs/dbraw/zinc/16/10/66/636161066.db2.gz MKHSPOHQSNGBFT-INIZCTEOSA-N 2 1 276.424 3.351 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000883246356 636615262 /nfs/dbraw/zinc/61/52/62/636615262.db2.gz GYVRBASISQNZGN-LMMKCTJWSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000883246356 636615267 /nfs/dbraw/zinc/61/52/67/636615267.db2.gz GYVRBASISQNZGN-LMMKCTJWSA-N 2 1 284.447 3.453 20 0 CGADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000848599564 636617915 /nfs/dbraw/zinc/61/79/15/636617915.db2.gz MTWFXQGJILLWGA-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1(C)C ZINC000883319655 636669837 /nfs/dbraw/zinc/66/98/37/636669837.db2.gz LBYAYIDEMCQKAI-ZQDZILKHSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H]2CCC[C@H]21 ZINC000883321986 636674320 /nfs/dbraw/zinc/67/43/20/636674320.db2.gz RJNLZJJYBJKWNE-NQLMQOPMSA-N 2 1 262.441 3.028 20 0 CGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(CC)c1 ZINC000849027721 636722170 /nfs/dbraw/zinc/72/21/70/636722170.db2.gz IUONZORQEXAJRL-INIZCTEOSA-N 2 1 288.439 3.060 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883428030 636751734 /nfs/dbraw/zinc/75/17/34/636751734.db2.gz JWKKTANCHMXXHH-BZSNNMDCSA-N 2 1 288.435 3.110 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CC[C@H]1CCCC1(F)F)CC[NH2+]CC2 ZINC000883434551 636754965 /nfs/dbraw/zinc/75/49/65/636754965.db2.gz UTZRPYGGTGNXDP-UONOGXRCSA-N 2 1 286.410 3.276 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CC[C@@H]1CCCC1(F)F ZINC000883441110 636757862 /nfs/dbraw/zinc/75/78/62/636757862.db2.gz HILNTJGBANIJHT-ZDUSSCGKSA-N 2 1 262.388 3.263 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883461822 636761517 /nfs/dbraw/zinc/76/15/17/636761517.db2.gz DVUVPDSKQQCUPO-GOSISDBHSA-N 2 1 296.499 3.424 20 0 CGADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000850385986 637043380 /nfs/dbraw/zinc/04/33/80/637043380.db2.gz DSDPKJPQLARYCR-AITUJVMLSA-N 2 1 299.462 3.009 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](O)c3ccccc32)CC1 ZINC000850528519 637106453 /nfs/dbraw/zinc/10/64/53/637106453.db2.gz IOVPAGQORKBLMQ-SJORKVTESA-N 2 1 288.435 3.017 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000885946972 637325358 /nfs/dbraw/zinc/32/53/58/637325358.db2.gz WSEHKNKLFOOIPF-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000885946972 637325362 /nfs/dbraw/zinc/32/53/62/637325362.db2.gz WSEHKNKLFOOIPF-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP Cc1coc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000885967587 637336275 /nfs/dbraw/zinc/33/62/75/637336275.db2.gz SQKUZNHQVYNXAE-GOSISDBHSA-N 2 1 298.430 3.242 20 0 CGADMP Cc1coc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000885967587 637336288 /nfs/dbraw/zinc/33/62/88/637336288.db2.gz SQKUZNHQVYNXAE-GOSISDBHSA-N 2 1 298.430 3.242 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000886041131 637382578 /nfs/dbraw/zinc/38/25/78/637382578.db2.gz KNRQPCMECFQUDE-AWEZNQCLSA-N 2 1 295.858 3.193 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000886041131 637382581 /nfs/dbraw/zinc/38/25/81/637382581.db2.gz KNRQPCMECFQUDE-AWEZNQCLSA-N 2 1 295.858 3.193 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCOC2(CCCCC2)C1)C1CC1 ZINC000886138643 637432365 /nfs/dbraw/zinc/43/23/65/637432365.db2.gz QCKRICJCMVQZJK-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP ClC(Cl)=CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000851727140 637478056 /nfs/dbraw/zinc/47/80/56/637478056.db2.gz DHCUIYQGHGXOKI-UHFFFAOYSA-N 2 1 277.239 3.113 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886503958 637544744 /nfs/dbraw/zinc/54/47/44/637544744.db2.gz MCOPHLGHGYULKE-RDJZCZTQSA-N 2 1 287.451 3.171 20 0 CGADMP CCCCOCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886668423 637642131 /nfs/dbraw/zinc/64/21/31/637642131.db2.gz SNYGXUOGIRBYLQ-UHFFFAOYSA-N 2 1 279.428 3.023 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000886707228 637666584 /nfs/dbraw/zinc/66/65/84/637666584.db2.gz BMYZFHBSWASAIJ-UHFFFAOYSA-N 2 1 258.409 3.137 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)[C@H](C)C1 ZINC000886773911 637683614 /nfs/dbraw/zinc/68/36/14/637683614.db2.gz DJHQUPDSYQBDKB-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852751207 637706151 /nfs/dbraw/zinc/70/61/51/637706151.db2.gz SPNBCKKZWPNVLD-HOCLYGCPSA-N 2 1 250.430 3.031 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000886874470 637716062 /nfs/dbraw/zinc/71/60/62/637716062.db2.gz OHJCEDHDKDJFFA-IBGZPJMESA-N 2 1 295.430 3.200 20 0 CGADMP C[NH+](CCCF)Cc1cccc(C[N@@H+](C)CCCF)c1 ZINC000887140104 637759363 /nfs/dbraw/zinc/75/93/63/637759363.db2.gz QJVDYCRFQYWPMT-UHFFFAOYSA-N 2 1 284.394 3.269 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222840716 637830984 /nfs/dbraw/zinc/83/09/84/637830984.db2.gz XYEKRMYEOKRMRP-VNHYZAJKSA-N 2 1 280.843 3.343 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222840716 637830990 /nfs/dbraw/zinc/83/09/90/637830990.db2.gz XYEKRMYEOKRMRP-VNHYZAJKSA-N 2 1 280.843 3.343 20 0 CGADMP COc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000924532966 638352811 /nfs/dbraw/zinc/35/28/11/638352811.db2.gz ZPRMAVUSKKIHAY-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924571388 638364745 /nfs/dbraw/zinc/36/47/45/638364745.db2.gz FYMUGYXKLGRQIC-YJBOKZPZSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000924572541 638366283 /nfs/dbraw/zinc/36/62/83/638366283.db2.gz RSSXJBKOCICXNO-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924618397 638378163 /nfs/dbraw/zinc/37/81/63/638378163.db2.gz ZIRRZXAAYXCUNM-AEFFLSMTSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000924666647 638385289 /nfs/dbraw/zinc/38/52/89/638385289.db2.gz CGDKHRJGNXXKNO-WMTDPASSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@H+]1CCC[C@H](C)C1 ZINC000924666647 638385293 /nfs/dbraw/zinc/38/52/93/638385293.db2.gz CGDKHRJGNXXKNO-WMTDPASSSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccnnc1 ZINC000924659655 638385944 /nfs/dbraw/zinc/38/59/44/638385944.db2.gz WCRHRZOINKRLKF-OAHLLOKOSA-N 2 1 298.434 3.168 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]CCCC[N@H+]3CCC[C@@H](C)C3)C2)CO1 ZINC000924683528 638388191 /nfs/dbraw/zinc/38/81/91/638388191.db2.gz AFKWRQGSOHZYLQ-MRLCAUJQSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CC(Sc2ccccc2)C1 ZINC000924874963 638417911 /nfs/dbraw/zinc/41/79/11/638417911.db2.gz XKJQDMQKBICQTG-UHFFFAOYSA-N 2 1 287.432 3.104 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000924949516 638429311 /nfs/dbraw/zinc/42/93/11/638429311.db2.gz GPTLCHABVJKZBT-VXGBXAGGSA-N 2 1 291.370 3.023 20 0 CGADMP Clc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000857087290 638456321 /nfs/dbraw/zinc/45/63/21/638456321.db2.gz RVOVHRDBRSMOTB-VXGBXAGGSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000857087290 638456325 /nfs/dbraw/zinc/45/63/25/638456325.db2.gz RVOVHRDBRSMOTB-VXGBXAGGSA-N 2 1 299.871 3.008 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C[NH+](C)C)c1 ZINC000925550470 638526165 /nfs/dbraw/zinc/52/61/65/638526165.db2.gz MVPZAGDYQYVMII-CXAGYDPISA-N 2 1 298.434 3.200 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)C12CCC2 ZINC000925586460 638537205 /nfs/dbraw/zinc/53/72/05/638537205.db2.gz TZMGSASQZOFGFB-MCIONIFRSA-N 2 1 292.810 3.023 20 0 CGADMP Cc1cccc(CCC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])n1 ZINC000925663992 638561803 /nfs/dbraw/zinc/56/18/03/638561803.db2.gz BKOXWHCHYUGNEB-YJBOKZPZSA-N 2 1 283.419 3.001 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857847817 638577163 /nfs/dbraw/zinc/57/71/63/638577163.db2.gz ZCDJXPBWXQFIMY-GDBMZVCRSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847817 638577166 /nfs/dbraw/zinc/57/71/66/638577166.db2.gz ZCDJXPBWXQFIMY-GDBMZVCRSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847817 638577169 /nfs/dbraw/zinc/57/71/69/638577169.db2.gz ZCDJXPBWXQFIMY-GDBMZVCRSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccccc1 ZINC000925725929 638583656 /nfs/dbraw/zinc/58/36/56/638583656.db2.gz ODHYLRKTJWWURZ-ZSZQSSIHSA-N 2 1 295.430 3.264 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C12CCC2 ZINC000925731021 638585531 /nfs/dbraw/zinc/58/55/31/638585531.db2.gz RIBZQLFGHCOWHD-VHSXEESVSA-N 2 1 290.354 3.126 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857901273 638597334 /nfs/dbraw/zinc/59/73/34/638597334.db2.gz KAUMFEDVQPLVFO-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857901273 638597339 /nfs/dbraw/zinc/59/73/39/638597339.db2.gz KAUMFEDVQPLVFO-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000925761213 638601132 /nfs/dbraw/zinc/60/11/32/638601132.db2.gz XNKHWGZKXFGLBU-HNNXBMFYSA-N 2 1 279.403 3.121 20 0 CGADMP C[C@@H](CCCC[NH3+])[NH2+]CC(F)(F)c1cc(F)cc(F)c1 ZINC000925759600 638601216 /nfs/dbraw/zinc/60/12/16/638601216.db2.gz PQKZJZKGGZRORW-JTQLQIEISA-N 2 1 292.320 3.164 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CC[C@H]2C[C@H]21)c1ccccc1 ZINC000925805282 638618185 /nfs/dbraw/zinc/61/81/85/638618185.db2.gz RURKRBMETFFMJG-PTTAZLHSSA-N 2 1 258.409 3.101 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000858490755 638740988 /nfs/dbraw/zinc/74/09/88/638740988.db2.gz NLSKIMVMUYEXNG-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737916 638805136 /nfs/dbraw/zinc/80/51/36/638805136.db2.gz HNKWCFFTXLWMOW-WTTBNOFXSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCC2(CCC2)O1 ZINC000930060736 638971946 /nfs/dbraw/zinc/97/19/46/638971946.db2.gz OPUJEOJKTIAUJD-INIZCTEOSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCC2(CCC2)O1 ZINC000930060736 638971947 /nfs/dbraw/zinc/97/19/47/638971947.db2.gz OPUJEOJKTIAUJD-INIZCTEOSA-N 2 1 291.439 3.005 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000930267872 638987624 /nfs/dbraw/zinc/98/76/24/638987624.db2.gz WUPFONHUEXEODZ-ZBFHGGJFSA-N 2 1 287.451 3.445 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](Cc3ccc4ncccc4c3)C[C@@]2(C)C1 ZINC000931310889 639133240 /nfs/dbraw/zinc/13/32/40/639133240.db2.gz JLNBTGCBQNKZAZ-RTBURBONSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)cn1 ZINC000092562492 640740497 /nfs/dbraw/zinc/74/04/97/640740497.db2.gz AIJYKFOFVNOGET-ZBFHGGJFSA-N 2 1 298.434 3.492 20 0 CGADMP CC(C)(C)c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1 ZINC001164774669 721303407 /nfs/dbraw/zinc/30/34/07/721303407.db2.gz HAGVACZRAHKFIN-UHFFFAOYSA-N 2 1 299.462 3.301 20 0 CGADMP CCOc1cc[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001156928545 805754262 /nfs/dbraw/zinc/75/42/62/805754262.db2.gz LVKCDZWVMJVXLY-CQSZACIVSA-N 2 1 277.412 3.157 20 0 CGADMP COc1ccc(C)[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158264386 805930872 /nfs/dbraw/zinc/93/08/72/805930872.db2.gz BGRKXBNSNUDPPY-SUMWQHHRSA-N 2 1 291.439 3.354 20 0 CGADMP C(=CC1CC[NH2+]CC1)Nc1ccc2c[nH+]ccc2c1 ZINC001159447113 806104092 /nfs/dbraw/zinc/10/40/92/806104092.db2.gz JHQLBDIBJQUZOT-BJMVGYQFSA-N 2 1 253.349 3.160 20 0 CGADMP c1[nH]c2ccc(Nc3ccc(O[C@H]4CC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159922316 806200714 /nfs/dbraw/zinc/20/07/14/806200714.db2.gz ILEPRCCIOVVRDP-HNNXBMFYSA-N 2 1 294.358 3.047 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC001253408811 806217000 /nfs/dbraw/zinc/21/70/00/806217000.db2.gz ZEQXCFIMBQSAFF-JKSUJKDBSA-N 2 1 296.430 3.006 20 0 CGADMP CCCCC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001253546799 806247250 /nfs/dbraw/zinc/24/72/50/806247250.db2.gz AGDRIEXKEFTTNQ-QZTJIDSGSA-N 2 1 292.467 3.210 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCc3ccccc3CC2)CC1 ZINC001254451060 806404612 /nfs/dbraw/zinc/40/46/12/806404612.db2.gz JIOHESBDPILPMY-QGZVFWFLSA-N 2 1 272.436 3.008 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC001254500722 806421015 /nfs/dbraw/zinc/42/10/15/806421015.db2.gz KBLGPFKGJPGDMH-KLZNEWFBSA-N 2 1 262.441 3.029 20 0 CGADMP CCCOc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254506224 806425439 /nfs/dbraw/zinc/42/54/39/806425439.db2.gz PNNSGPJKWXUDIV-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccccc3F)CC2)CC1 ZINC001254513396 806432437 /nfs/dbraw/zinc/43/24/37/806432437.db2.gz YHPHGKAZZVNACQ-MRXNPFEDSA-N 2 1 290.426 3.222 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2cccc(Cl)c2F)CC1 ZINC001254512859 806433391 /nfs/dbraw/zinc/43/33/91/806433391.db2.gz SOTHTMMERUIOJP-ZDUSSCGKSA-N 2 1 284.806 3.096 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001254514042 806434133 /nfs/dbraw/zinc/43/41/33/806434133.db2.gz IPFSXLZVGMXWEY-ZDUSSCGKSA-N 2 1 281.831 3.044 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001254514042 806434136 /nfs/dbraw/zinc/43/41/36/806434136.db2.gz IPFSXLZVGMXWEY-ZDUSSCGKSA-N 2 1 281.831 3.044 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)CCC2 ZINC001254515281 806437023 /nfs/dbraw/zinc/43/70/23/806437023.db2.gz VFZXAZKQTURDQZ-MAUKXSAKSA-N 2 1 288.435 3.147 20 0 CGADMP CC(C)c1cccc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]1 ZINC001162457783 806588592 /nfs/dbraw/zinc/58/85/92/806588592.db2.gz RGNPFWKFLKJCDQ-KBPBESRZSA-N 2 1 261.413 3.253 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C2CCC(C)(C)CC2)CC1 ZINC001255308879 806603920 /nfs/dbraw/zinc/60/39/20/806603920.db2.gz GVIMGKPTRWZFEU-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3cccnc3)CC2)cc1 ZINC001255380038 806628696 /nfs/dbraw/zinc/62/86/96/806628696.db2.gz ZLVKSWNGBIAOHT-IBGZPJMESA-N 2 1 295.430 3.226 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3cccnc3)CC2)cc1 ZINC001255380038 806628701 /nfs/dbraw/zinc/62/87/01/806628701.db2.gz ZLVKSWNGBIAOHT-IBGZPJMESA-N 2 1 295.430 3.226 20 0 CGADMP F[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399405 806632095 /nfs/dbraw/zinc/63/20/95/806632095.db2.gz RHRXZNMZFFBMQW-SJORKVTESA-N 2 1 276.399 3.085 20 0 CGADMP F[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399405 806632097 /nfs/dbraw/zinc/63/20/97/806632097.db2.gz RHRXZNMZFFBMQW-SJORKVTESA-N 2 1 276.399 3.085 20 0 CGADMP F[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399405 806632104 /nfs/dbraw/zinc/63/21/04/806632104.db2.gz RHRXZNMZFFBMQW-SJORKVTESA-N 2 1 276.399 3.085 20 0 CGADMP F[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399405 806632106 /nfs/dbraw/zinc/63/21/06/806632106.db2.gz RHRXZNMZFFBMQW-SJORKVTESA-N 2 1 276.399 3.085 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399701 806632154 /nfs/dbraw/zinc/63/21/54/806632154.db2.gz XVLSYRFURACHDP-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399701 806632159 /nfs/dbraw/zinc/63/21/59/806632159.db2.gz XVLSYRFURACHDP-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399701 806632165 /nfs/dbraw/zinc/63/21/65/806632165.db2.gz XVLSYRFURACHDP-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255501889 806655093 /nfs/dbraw/zinc/65/50/93/806655093.db2.gz LEKKTEQWCFMVQX-PJPHBNEVSA-N 2 1 264.457 3.085 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255501889 806655094 /nfs/dbraw/zinc/65/50/94/806655094.db2.gz LEKKTEQWCFMVQX-PJPHBNEVSA-N 2 1 264.457 3.085 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255501889 806655095 /nfs/dbraw/zinc/65/50/95/806655095.db2.gz LEKKTEQWCFMVQX-PJPHBNEVSA-N 2 1 264.457 3.085 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCC(C(C)(C)C)CC1)C2 ZINC001255505582 806655960 /nfs/dbraw/zinc/65/59/60/806655960.db2.gz LMPWSXRVJNUGGG-HDWXEKECSA-N 2 1 278.484 3.475 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1C1CCC(C(F)(F)F)CC1 ZINC001255513323 806658234 /nfs/dbraw/zinc/65/82/34/806658234.db2.gz BPIBGAMQHBTYBJ-UHFFFAOYSA-N 2 1 275.318 3.068 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC001255518561 806660850 /nfs/dbraw/zinc/66/08/50/806660850.db2.gz HVUMOCIODMMBHR-UHFFFAOYSA-N 2 1 292.389 3.381 20 0 CGADMP Cc1c(F)cccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255667606 806699790 /nfs/dbraw/zinc/69/97/90/806699790.db2.gz MKODUBBWRGGUFL-MQVJKMGUSA-N 2 1 276.399 3.239 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001255669153 806700467 /nfs/dbraw/zinc/70/04/67/806700467.db2.gz QTRKXCLGKPIQEY-HNSVSWJLSA-N 2 1 273.424 3.056 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163415569 799082089 /nfs/dbraw/zinc/08/20/89/799082089.db2.gz NHGNWUOSXAAMCH-PBHICJAKSA-N 2 1 260.425 3.227 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C[C@@H]1C[NH3+] ZINC000163385973 799082180 /nfs/dbraw/zinc/08/21/80/799082180.db2.gz AUDZFHDVXWIJIQ-RYUDHWBXSA-N 2 1 291.826 3.238 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCCC2)CC[N@H+]1C ZINC000175999476 799093628 /nfs/dbraw/zinc/09/36/28/799093628.db2.gz ATGQQEZUXAFBLS-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000382825212 799398911 /nfs/dbraw/zinc/39/89/11/799398911.db2.gz BWILXJLXCAHPPI-WOSRLPQWSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000382825212 799398917 /nfs/dbraw/zinc/39/89/17/799398917.db2.gz BWILXJLXCAHPPI-WOSRLPQWSA-N 2 1 280.843 3.201 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccccc2Br)C1 ZINC000383563166 799404323 /nfs/dbraw/zinc/40/43/23/799404323.db2.gz AJVZXNDULTWRJP-LBPRGKRZSA-N 2 1 297.240 3.010 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2Br)C1 ZINC000383563166 799404326 /nfs/dbraw/zinc/40/43/26/799404326.db2.gz AJVZXNDULTWRJP-LBPRGKRZSA-N 2 1 297.240 3.010 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000383997643 799411557 /nfs/dbraw/zinc/41/15/57/799411557.db2.gz KIMYTSIFYLLKRW-ZDUSSCGKSA-N 2 1 286.341 3.266 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000386485564 799437195 /nfs/dbraw/zinc/43/71/95/799437195.db2.gz WTFGATOYQBZTFZ-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000386485564 799437198 /nfs/dbraw/zinc/43/71/98/799437198.db2.gz WTFGATOYQBZTFZ-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H](C)C1 ZINC001163365655 806748992 /nfs/dbraw/zinc/74/89/92/806748992.db2.gz LSBZCQFJEACGBB-CJNGLKHVSA-N 2 1 273.424 3.490 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H](C)C1 ZINC001163365655 806748998 /nfs/dbraw/zinc/74/89/98/806748998.db2.gz LSBZCQFJEACGBB-CJNGLKHVSA-N 2 1 273.424 3.490 20 0 CGADMP Cc1scc(C[NH2+]CCC[NH+]2CCCCC2)c1C ZINC000399914118 799543490 /nfs/dbraw/zinc/54/34/90/799543490.db2.gz HHIQJCCYCMZLLO-UHFFFAOYSA-N 2 1 266.454 3.331 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001255796896 806757508 /nfs/dbraw/zinc/75/75/08/806757508.db2.gz MUKMBDLKXNKQHI-MRXNPFEDSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001255796500 806757576 /nfs/dbraw/zinc/75/75/76/806757576.db2.gz XQZVLNLBJIQKRP-MRXNPFEDSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000469847311 799646839 /nfs/dbraw/zinc/64/68/39/799646839.db2.gz VTWXCDIHDXIMPO-RHSMWYFYSA-N 2 1 274.452 3.196 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000469847311 799646840 /nfs/dbraw/zinc/64/68/40/799646840.db2.gz VTWXCDIHDXIMPO-RHSMWYFYSA-N 2 1 274.452 3.196 20 0 CGADMP CC(C)(C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475332236 799648638 /nfs/dbraw/zinc/64/86/38/799648638.db2.gz JSTMAZHDYFDHLT-CALCHBBNSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)(C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475332236 799648641 /nfs/dbraw/zinc/64/86/41/799648641.db2.gz JSTMAZHDYFDHLT-CALCHBBNSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)(C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475332236 799648643 /nfs/dbraw/zinc/64/86/43/799648643.db2.gz JSTMAZHDYFDHLT-CALCHBBNSA-N 2 1 272.436 3.096 20 0 CGADMP c1c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000687987074 799743789 /nfs/dbraw/zinc/74/37/89/799743789.db2.gz KVNVSOREKWZNHY-WFASDCNBSA-N 2 1 276.449 3.158 20 0 CGADMP c1c(C[N@H+]2CCC[C@@H]2C2CCC2)sc2c1C[NH2+]CC2 ZINC000688300318 799747134 /nfs/dbraw/zinc/74/71/34/799747134.db2.gz CDSRWJBVJTZUHC-OAHLLOKOSA-N 2 1 276.449 3.158 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000688809910 799756414 /nfs/dbraw/zinc/75/64/14/799756414.db2.gz SLSKZGIHBBYGCZ-STQMWFEESA-N 2 1 260.372 3.014 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000690736575 799778112 /nfs/dbraw/zinc/77/81/12/799778112.db2.gz AWSBOEWPOJTURK-SNVBAGLBSA-N 2 1 273.207 3.164 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)s1 ZINC000693925151 799818280 /nfs/dbraw/zinc/81/82/80/799818280.db2.gz KJTQULXECRSKOX-CHWSQXEVSA-N 2 1 252.427 3.191 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000697919002 799851344 /nfs/dbraw/zinc/85/13/44/799851344.db2.gz FLJBVIPAIMXSIJ-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699312498 799858954 /nfs/dbraw/zinc/85/89/54/799858954.db2.gz RWHGJCMETMVNAR-PSEXLTFBSA-N 2 1 290.373 3.180 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](CC)CC)c1cccnc1 ZINC001255947951 806794344 /nfs/dbraw/zinc/79/43/44/806794344.db2.gz ZMZHVBNKYZWCBV-HOCLYGCPSA-N 2 1 263.429 3.243 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](CCC[NH3+])C1CCCCC1 ZINC001255940435 806789986 /nfs/dbraw/zinc/78/99/86/806789986.db2.gz BZOJLWFAEAJEDD-INIZCTEOSA-N 3 1 283.504 3.090 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001255940435 806789991 /nfs/dbraw/zinc/78/99/91/806789991.db2.gz BZOJLWFAEAJEDD-INIZCTEOSA-N 3 1 283.504 3.090 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001255947075 806792756 /nfs/dbraw/zinc/79/27/56/806792756.db2.gz NKFPLTVRAQUEFV-CYBMUJFWSA-N 2 1 283.847 3.253 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC000708767102 799993622 /nfs/dbraw/zinc/99/36/22/799993622.db2.gz MXNKRGGULGKBBT-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP C(C[N@H+]1CC[C@H](C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000708823683 799995560 /nfs/dbraw/zinc/99/55/60/799995560.db2.gz WXWMATIKUQYDSE-IRXDYDNUSA-N 2 1 264.457 3.421 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000709152129 800004710 /nfs/dbraw/zinc/00/47/10/800004710.db2.gz FXHAOSDUSTWBPX-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc2onc(C)c2c1 ZINC001255953138 806796966 /nfs/dbraw/zinc/79/69/66/806796966.db2.gz XBYFXWIOSOGEPI-ZDUSSCGKSA-N 2 1 289.423 3.346 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCc1ccccc1 ZINC001255955415 806797842 /nfs/dbraw/zinc/79/78/42/806797842.db2.gz SUOSEJCLJIIWGA-MRXNPFEDSA-N 2 1 262.441 3.281 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001255959884 806799850 /nfs/dbraw/zinc/79/98/50/806799850.db2.gz PJKUDVPVHGKIPB-MJBXVCDLSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001255960270 806799881 /nfs/dbraw/zinc/79/98/81/806799881.db2.gz GHYQXQUZCRAWRD-NVXWUHKLSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001255960270 806799884 /nfs/dbraw/zinc/79/98/84/806799884.db2.gz GHYQXQUZCRAWRD-NVXWUHKLSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001255958200 806799930 /nfs/dbraw/zinc/79/99/30/806799930.db2.gz ZKYLMLQIAPYRQN-XHSDSOJGSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCc1cccc(F)c1 ZINC001255970857 806801353 /nfs/dbraw/zinc/80/13/53/806801353.db2.gz GMKSKTCTAWZGOE-OAHLLOKOSA-N 2 1 280.431 3.420 20 0 CGADMP Clc1ncsc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000713502103 800112469 /nfs/dbraw/zinc/11/24/69/800112469.db2.gz UOKYAFDOXDBVIW-LBPRGKRZSA-N 2 1 299.871 3.008 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC001255973033 806804214 /nfs/dbraw/zinc/80/42/14/806804214.db2.gz XHGTYGRIWGOSRE-MRXNPFEDSA-N 2 1 274.452 3.474 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC001255973033 806804222 /nfs/dbraw/zinc/80/42/22/806804222.db2.gz XHGTYGRIWGOSRE-MRXNPFEDSA-N 2 1 274.452 3.474 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000714302632 800118266 /nfs/dbraw/zinc/11/82/66/800118266.db2.gz GAQPEGXXKWGUSQ-CWRNSKLLSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709502 800178807 /nfs/dbraw/zinc/17/88/07/800178807.db2.gz AAKNUJSVYUBVLJ-BBWFWOEESA-N 2 1 258.409 3.038 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076509 806812336 /nfs/dbraw/zinc/81/23/36/806812336.db2.gz HALWYIQOWLIBTP-CQSZACIVSA-N 2 1 288.410 3.242 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076509 806812345 /nfs/dbraw/zinc/81/23/45/806812345.db2.gz HALWYIQOWLIBTP-CQSZACIVSA-N 2 1 288.410 3.242 20 0 CGADMP CSC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000720521449 800260466 /nfs/dbraw/zinc/26/04/66/800260466.db2.gz IBVRNXSBNHMDRB-PWUWZPNHSA-N 2 1 282.497 3.125 20 0 CGADMP CSC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000720521451 800260616 /nfs/dbraw/zinc/26/06/16/800260616.db2.gz IBVRNXSBNHMDRB-PYBGIAKNSA-N 2 1 282.497 3.125 20 0 CGADMP c1ccc2c(c1)C[N@H+](C1CCN(C3CC3)CC1)CCS2 ZINC001256082142 806816763 /nfs/dbraw/zinc/81/67/63/806816763.db2.gz UASCLRHVEOCAOI-UHFFFAOYSA-N 2 1 288.460 3.221 20 0 CGADMP c1ccc2c(c1)C[N@@H+](C1CCN(C3CC3)CC1)CCS2 ZINC001256082142 806816770 /nfs/dbraw/zinc/81/67/70/806816770.db2.gz UASCLRHVEOCAOI-UHFFFAOYSA-N 2 1 288.460 3.221 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C[NH2+]1 ZINC000723608007 800329812 /nfs/dbraw/zinc/32/98/12/800329812.db2.gz MWMMUAPZHDQYAB-QCODTGAPSA-N 2 1 250.430 3.075 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+]([C@H]1CCC[C@H](c3ccccc3)C1)CC2 ZINC001256121355 806828725 /nfs/dbraw/zinc/82/87/25/806828725.db2.gz QHTGJQDWCWRFAK-ROUUACIJSA-N 2 1 295.430 3.468 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+]([C@H]1CCC[C@H](c3ccccc3)C1)CC2 ZINC001256121355 806828730 /nfs/dbraw/zinc/82/87/30/806828730.db2.gz QHTGJQDWCWRFAK-ROUUACIJSA-N 2 1 295.430 3.468 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000822123880 800459545 /nfs/dbraw/zinc/45/95/45/800459545.db2.gz GURIPYNJWOZIJQ-IRXDYDNUSA-N 2 1 260.425 3.082 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256145059 806834044 /nfs/dbraw/zinc/83/40/44/806834044.db2.gz WBSUWBIKNIFHLX-MRXNPFEDSA-N 2 1 292.467 3.338 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1Cl ZINC001256200537 806847597 /nfs/dbraw/zinc/84/75/97/806847597.db2.gz VRIPBWGYIYJDDA-LBPRGKRZSA-N 2 1 266.816 3.393 20 0 CGADMP CC(C)CC[C@@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001256359616 806866203 /nfs/dbraw/zinc/86/62/03/806866203.db2.gz TYKYYGRVLYNJIW-OAHLLOKOSA-N 2 1 275.440 3.156 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371006 806873445 /nfs/dbraw/zinc/87/34/45/806873445.db2.gz FCVSUGFQJOHWKF-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371006 806873446 /nfs/dbraw/zinc/87/34/46/806873446.db2.gz FCVSUGFQJOHWKF-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371006 806873451 /nfs/dbraw/zinc/87/34/51/806873451.db2.gz FCVSUGFQJOHWKF-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)CC[C@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001256371875 806875286 /nfs/dbraw/zinc/87/52/86/806875286.db2.gz VSSIVAZJVHJKCY-INIZCTEOSA-N 2 1 296.499 3.386 20 0 CGADMP CCOC1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256433176 806896788 /nfs/dbraw/zinc/89/67/88/806896788.db2.gz MOALZVZTTRRPEL-SVOYEFRLSA-N 2 1 294.483 3.459 20 0 CGADMP CCOC1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001256437967 806900360 /nfs/dbraw/zinc/90/03/60/806900360.db2.gz XPGDYRVOGHJFHC-KLAILNCOSA-N 2 1 282.472 3.175 20 0 CGADMP C[C@H]([NH3+])c1nccn1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521117 806909675 /nfs/dbraw/zinc/90/96/75/806909675.db2.gz ZUNCAQTVRVPOEB-HLLBOEOZSA-N 2 1 298.434 3.128 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3ocnc3c2)CC1 ZINC001256563844 806916754 /nfs/dbraw/zinc/91/67/54/806916754.db2.gz ITSCZXHVCGXCGM-UHFFFAOYSA-N 2 1 287.407 3.180 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH+]2Cc3ccccc3C2)CC1 ZINC001256569208 806917603 /nfs/dbraw/zinc/91/76/03/806917603.db2.gz VDRWCADMKQMZMB-UHFFFAOYSA-N 2 1 258.409 3.265 20 0 CGADMP CC1CC([N@@H+](C)C2CCN(Cc3ccccc3)CC2)C1 ZINC001256604905 806923315 /nfs/dbraw/zinc/92/33/15/806923315.db2.gz ZZHSNFMBDFITOB-UHFFFAOYSA-N 2 1 272.436 3.381 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001164467264 806951858 /nfs/dbraw/zinc/95/18/58/806951858.db2.gz FWNCREFWIRZUEM-UONOGXRCSA-N 2 1 269.392 3.107 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC001116288633 802323441 /nfs/dbraw/zinc/32/34/41/802323441.db2.gz LPFVOPUZRYTJSC-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263520 802543415 /nfs/dbraw/zinc/54/34/15/802543415.db2.gz ILJZHZSCXRVJBK-CYBMUJFWSA-N 2 1 294.389 3.491 20 0 CGADMP COc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)ccc1F ZINC001119090853 802631943 /nfs/dbraw/zinc/63/19/43/802631943.db2.gz OUIQLPKMEKOAJN-QGZVFWFLSA-N 2 1 294.414 3.031 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C12CCC2 ZINC001119631422 802686786 /nfs/dbraw/zinc/68/67/86/802686786.db2.gz UVZUOAJIQHKFDV-GJZGRUSLSA-N 2 1 299.443 3.170 20 0 CGADMP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH2+]C1 ZINC001119683826 802691463 /nfs/dbraw/zinc/69/14/63/802691463.db2.gz HUSPVNWCJWMOLG-FUDCBSFHSA-N 2 1 290.373 3.181 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)o3)C[C@H]2C1 ZINC001119988142 802720487 /nfs/dbraw/zinc/72/04/87/802720487.db2.gz FUBNPOGDZKLQMR-YNEHKIRRSA-N 2 1 282.815 3.095 20 0 CGADMP F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256894978 806999943 /nfs/dbraw/zinc/99/99/43/806999943.db2.gz PNZONMHQCLWMBI-KFWWJZLASA-N 2 1 268.420 3.264 20 0 CGADMP F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256894978 806999946 /nfs/dbraw/zinc/99/99/46/806999946.db2.gz PNZONMHQCLWMBI-KFWWJZLASA-N 2 1 268.420 3.264 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256895668 807000436 /nfs/dbraw/zinc/00/04/36/807000436.db2.gz WQHGATCPBBYUJZ-KRWDZBQOSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256895668 807000443 /nfs/dbraw/zinc/00/04/43/807000443.db2.gz WQHGATCPBBYUJZ-KRWDZBQOSA-N 2 1 284.447 3.150 20 0 CGADMP c1cc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)cs1 ZINC001256898068 807001603 /nfs/dbraw/zinc/00/16/03/807001603.db2.gz JPDXYIRAQFWZBL-HNNXBMFYSA-N 2 1 278.465 3.287 20 0 CGADMP c1cc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC001256898068 807001605 /nfs/dbraw/zinc/00/16/05/807001605.db2.gz JPDXYIRAQFWZBL-HNNXBMFYSA-N 2 1 278.465 3.287 20 0 CGADMP OCCCCCCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907180 807006360 /nfs/dbraw/zinc/00/63/60/807006360.db2.gz GRNBZOBPQALGTF-QGZVFWFLSA-N 2 1 296.499 3.316 20 0 CGADMP OCCCCCCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907180 807006366 /nfs/dbraw/zinc/00/63/66/807006366.db2.gz GRNBZOBPQALGTF-QGZVFWFLSA-N 2 1 296.499 3.316 20 0 CGADMP CCSc1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206812213 813443952 /nfs/dbraw/zinc/44/39/52/813443952.db2.gz YFAHOHBDPCYBRQ-KBPBESRZSA-N 2 1 278.465 3.358 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]3CCC[C@@H]32)CCCC1 ZINC001208186524 813735891 /nfs/dbraw/zinc/73/58/91/813735891.db2.gz SYKMFYVLVMSJSK-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP CCc1cccc2c(C[NH+]3CCC([NH+]4CCC4)CC3)c[nH]c21 ZINC001138363636 803903943 /nfs/dbraw/zinc/90/39/43/803903943.db2.gz LTODMJZFQPWCHV-UHFFFAOYSA-N 2 1 297.446 3.400 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001138543351 803964412 /nfs/dbraw/zinc/96/44/12/803964412.db2.gz MAWZYHIVCCSISA-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP COC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138543079 803964854 /nfs/dbraw/zinc/96/48/54/803964854.db2.gz JPGWLISAFKBKSC-UHFFFAOYSA-N 2 1 299.418 3.182 20 0 CGADMP CC(C)([NH3+])c1ccc(-c2cc(-n3ccnc3)cc[nH+]2)cc1 ZINC001245908108 804035892 /nfs/dbraw/zinc/03/58/92/804035892.db2.gz YXYMGAIKTBNKIS-UHFFFAOYSA-N 2 1 278.359 3.128 20 0 CGADMP CCCCC[C@@H](O)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246031286 804102308 /nfs/dbraw/zinc/10/23/08/804102308.db2.gz POFFSSATFIPWDL-MSOLQXFVSA-N 2 1 296.499 3.173 20 0 CGADMP CCCC[C@@H](O)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246070646 804108516 /nfs/dbraw/zinc/10/85/16/804108516.db2.gz OVJNEXXRNOJYGM-KBAYOESNSA-N 2 1 296.499 3.442 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086333 804120111 /nfs/dbraw/zinc/12/01/11/804120111.db2.gz UFWKVJFTQMPIJT-XIRDDKMYSA-N 2 1 260.425 3.128 20 0 CGADMP CCCCCC[C@H](CC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246087706 804120704 /nfs/dbraw/zinc/12/07/04/804120704.db2.gz HKPNWWGMGDNSFV-KRWDZBQOSA-N 2 1 283.504 3.010 20 0 CGADMP C[C@]1([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC001246092381 804124471 /nfs/dbraw/zinc/12/44/71/804124471.db2.gz BQZHNHLGDWDGPH-ULQDDVLXSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@]1([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[NH2+]C1 ZINC001246097415 804130025 /nfs/dbraw/zinc/13/00/25/804130025.db2.gz OWWFFUWIFNVLBB-IUODEOHRSA-N 2 1 299.245 3.192 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)[NH2+]C1 ZINC001246104377 804137618 /nfs/dbraw/zinc/13/76/18/804137618.db2.gz JNECYEDCJBENRK-SNPRPXQTSA-N 2 1 292.854 3.175 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113353 804144733 /nfs/dbraw/zinc/14/47/33/804144733.db2.gz NYSSLOQTPBDXNC-CABCVRRESA-N 2 1 258.425 3.273 20 0 CGADMP C[C@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246118015 804149347 /nfs/dbraw/zinc/14/93/47/804149347.db2.gz UZGBQKWGQPQVLS-ONENECBXSA-N 2 1 299.245 3.048 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)C2 ZINC001246132771 804158033 /nfs/dbraw/zinc/15/80/33/804158033.db2.gz HSRTUVINCDXXAO-YESZJQIVSA-N 2 1 290.838 3.072 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246136263 804160958 /nfs/dbraw/zinc/16/09/58/804160958.db2.gz WCOSLZZGQSEJJW-DLBZAZTESA-N 2 1 272.436 3.130 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246158656 804173572 /nfs/dbraw/zinc/17/35/72/804173572.db2.gz GKPWGYXIDLNDGF-BRWVUGGUSA-N 2 1 280.456 3.012 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160476 804177866 /nfs/dbraw/zinc/17/78/66/804177866.db2.gz NBMHWAKAVDZNOB-XLAORIBOSA-N 2 1 296.499 3.482 20 0 CGADMP CCCC[C@H]1C[C@@H](NCC[N@@H+](CC)CCCC)CC[NH2+]1 ZINC001246160964 804177909 /nfs/dbraw/zinc/17/79/09/804177909.db2.gz IAJQKBQBALRRSH-IRXDYDNUSA-N 2 1 283.504 3.009 20 0 CGADMP CNc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246174003 804187276 /nfs/dbraw/zinc/18/72/76/804187276.db2.gz VDJCUGFXHCUCHM-RBUKOAKNSA-N 2 1 295.430 3.311 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246172488 804188040 /nfs/dbraw/zinc/18/80/40/804188040.db2.gz HJOZLHSFQFGOQY-ZWKOTPCHSA-N 2 1 292.442 3.469 20 0 CGADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC001246189244 804198018 /nfs/dbraw/zinc/19/80/18/804198018.db2.gz IJIDALSSRSERNU-STQMWFEESA-N 2 1 299.245 3.192 20 0 CGADMP F[C@@]1(C[NH2+]C2CCC3(CCCC3)CC2)CCC[NH2+]C1 ZINC001246187390 804198447 /nfs/dbraw/zinc/19/84/47/804198447.db2.gz ZJLANMYNXVGZOV-INIZCTEOSA-N 2 1 268.420 3.171 20 0 CGADMP CC[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193597 804201675 /nfs/dbraw/zinc/20/16/75/804201675.db2.gz BIKIPNVIZJWXEH-BDXSIMOUSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193597 804201679 /nfs/dbraw/zinc/20/16/79/804201679.db2.gz BIKIPNVIZJWXEH-BDXSIMOUSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193597 804201688 /nfs/dbraw/zinc/20/16/88/804201688.db2.gz BIKIPNVIZJWXEH-BDXSIMOUSA-N 3 1 295.515 3.150 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)CC1 ZINC001246220528 804215491 /nfs/dbraw/zinc/21/54/91/804215491.db2.gz LCJIRYPOPOIUIW-NRXISQOPSA-N 2 1 288.426 3.426 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(F)c1 ZINC001246233728 804227034 /nfs/dbraw/zinc/22/70/34/804227034.db2.gz LPKQPXLVMWCYQJ-HOCLYGCPSA-N 2 1 278.415 3.390 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246236361 804228333 /nfs/dbraw/zinc/22/83/33/804228333.db2.gz RMCJPQPKKPRXMA-CVEARBPZSA-N 2 1 264.388 3.000 20 0 CGADMP C[C@H]1CC([NH2+]C2(c3cccc(Cl)c3)CC2)C[C@H](C)[NH2+]1 ZINC001246238466 804230197 /nfs/dbraw/zinc/23/01/97/804230197.db2.gz PRJVABWJXJQXTR-RYUDHWBXSA-N 2 1 278.827 3.448 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CC[NH2+]1 ZINC001246245200 804235357 /nfs/dbraw/zinc/23/53/57/804235357.db2.gz RYROJZMWXJEAOP-GOEBONIOSA-N 2 1 272.392 3.299 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]C1(c2ccccc2C(F)(F)F)CC1 ZINC001246262350 804243975 /nfs/dbraw/zinc/24/39/75/804243975.db2.gz AYBMPGPESJTPMC-NSHDSACASA-N 2 1 286.341 3.282 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CN1 ZINC001246264257 804245752 /nfs/dbraw/zinc/24/57/52/804245752.db2.gz HWCMPXANGZTSGO-QMTHXVAHSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC001246264257 804245759 /nfs/dbraw/zinc/24/57/59/804245759.db2.gz HWCMPXANGZTSGO-QMTHXVAHSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246265727 804245912 /nfs/dbraw/zinc/24/59/12/804245912.db2.gz NPWSJMHZYWIIRV-SMDDNHRTSA-N 2 1 298.352 3.425 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC001246265633 804246706 /nfs/dbraw/zinc/24/67/06/804246706.db2.gz OZUBMZKFBPFWCP-PBWFPOADSA-N 2 1 264.800 3.021 20 0 CGADMP CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246274478 804251534 /nfs/dbraw/zinc/25/15/34/804251534.db2.gz UYKRIQNMITUQHH-KKUMJFAQSA-N 2 1 268.445 3.035 20 0 CGADMP CCC[C@H]([NH2+][C@@H](C)CC[NH2+]C)c1ccccc1F ZINC001246278256 804255136 /nfs/dbraw/zinc/25/51/36/804255136.db2.gz UKSHHWBCPKRGBA-WFASDCNBSA-N 2 1 252.377 3.255 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246286423 804260925 /nfs/dbraw/zinc/26/09/25/804260925.db2.gz LUVPBZBUWYCTOR-INIZCTEOSA-N 2 1 260.425 3.259 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC[NH2+]1 ZINC001246309137 804270949 /nfs/dbraw/zinc/27/09/49/804270949.db2.gz UMCWXLIOLULPAE-DETPVDSQSA-N 2 1 262.372 3.007 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)c2ccccc2Cl)CC[NH2+]1 ZINC001246314463 804275017 /nfs/dbraw/zinc/27/50/17/804275017.db2.gz XSHWSWNLCQGZHE-NEPJUHHUSA-N 2 1 266.816 3.305 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246318013 804276520 /nfs/dbraw/zinc/27/65/20/804276520.db2.gz OSAOCWRBLSKBNO-NWDGAFQWSA-N 2 1 287.234 3.178 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246329750 804284385 /nfs/dbraw/zinc/28/43/85/804284385.db2.gz SMWALYZWBSEJDG-KBAYOESNSA-N 2 1 274.452 3.374 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246333425 804287501 /nfs/dbraw/zinc/28/75/01/804287501.db2.gz VDSYPXOZPSHYBR-IUODEOHRSA-N 2 1 280.843 3.249 20 0 CGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246333043 804287695 /nfs/dbraw/zinc/28/76/95/804287695.db2.gz UDNSXDSJTGRTPR-CJNGLKHVSA-N 2 1 292.854 3.175 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(F)c1 ZINC001246347385 804298130 /nfs/dbraw/zinc/29/81/30/804298130.db2.gz KIJMLDJAPPTMMF-CJNGLKHVSA-N 2 1 294.414 3.091 20 0 CGADMP CCCC[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)CC[NH2+]1 ZINC001246360233 804303101 /nfs/dbraw/zinc/30/31/01/804303101.db2.gz GPMCWQSQIIRBOB-ZACQAIPSSA-N 2 1 295.515 3.007 20 0 CGADMP CCCC[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)CC[NH2+]1 ZINC001246360230 804303234 /nfs/dbraw/zinc/30/32/34/804303234.db2.gz GPMCWQSQIIRBOB-BBWFWOEESA-N 2 1 295.515 3.007 20 0 CGADMP CC[C@@H](C)[NH2+]C1(c2ccccc2Cl)CC[NH2+]CC1 ZINC001246372085 804309843 /nfs/dbraw/zinc/30/98/43/804309843.db2.gz CCPULWAUWPKFOA-GFCCVEGCSA-N 2 1 266.816 3.307 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC001246383985 804315191 /nfs/dbraw/zinc/31/51/91/804315191.db2.gz NBUIAASIPGIXSW-ZFWWWQNUSA-N 2 1 292.854 3.393 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC001246385135 804316383 /nfs/dbraw/zinc/31/63/83/804316383.db2.gz RQOPUYUSISZICH-TZMCWYRMSA-N 2 1 278.827 3.003 20 0 CGADMP CCCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246413798 804326516 /nfs/dbraw/zinc/32/65/16/804326516.db2.gz QIKWQRUQSDSUCZ-HZPDHXFCSA-N 2 1 284.488 3.482 20 0 CGADMP CC[C@@]1([NH2+][C@@H](C)Cc2c(F)cccc2Cl)CC[NH2+]C1 ZINC001246464553 804344000 /nfs/dbraw/zinc/34/40/00/804344000.db2.gz RWSGZPWPBKVVMJ-XHDPSFHLSA-N 2 1 284.806 3.142 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246482983 804356211 /nfs/dbraw/zinc/35/62/11/804356211.db2.gz QWWVONSNOZCCSH-QWHCGFSZSA-N 2 1 262.388 3.036 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246468966 804348173 /nfs/dbraw/zinc/34/81/73/804348173.db2.gz MMJLQJHIWKYDME-IAQYHMDHSA-N 2 1 284.806 3.142 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CC1CCOCC1 ZINC001140022421 804354470 /nfs/dbraw/zinc/35/44/70/804354470.db2.gz DGPJNBQPCDLGLM-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CC1CCOCC1 ZINC001140022421 804354479 /nfs/dbraw/zinc/35/44/79/804354479.db2.gz DGPJNBQPCDLGLM-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001140026660 804355759 /nfs/dbraw/zinc/35/57/59/804355759.db2.gz PAFXAXUDRGYFGF-SFHVURJKSA-N 2 1 299.418 3.038 20 0 CGADMP Cc1nccn1-c1ccccc1CN1CCO[C@H](C(C)C)C1 ZINC001140026660 804355765 /nfs/dbraw/zinc/35/57/65/804355765.db2.gz PAFXAXUDRGYFGF-SFHVURJKSA-N 2 1 299.418 3.038 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246489235 804356738 /nfs/dbraw/zinc/35/67/38/804356738.db2.gz PDAXLISJFXHIFF-ZIAGYGMSSA-N 2 1 274.399 3.346 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC001246517837 804372087 /nfs/dbraw/zinc/37/20/87/804372087.db2.gz CHMZBWFYHSMQMD-IRXDYDNUSA-N 2 1 272.436 3.211 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246520184 804374044 /nfs/dbraw/zinc/37/40/44/804374044.db2.gz RNKZWHVXISXZMZ-PMACEKPBSA-N 2 1 294.442 3.482 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246521731 804375263 /nfs/dbraw/zinc/37/52/63/804375263.db2.gz DHAPGNCAZYHLEG-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CCCCC[N@@H+](C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246530037 804381187 /nfs/dbraw/zinc/38/11/87/804381187.db2.gz NIPRBCUCYDGYEV-ROUUACIJSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246530024 804381517 /nfs/dbraw/zinc/38/15/17/804381517.db2.gz MMYREVAOTDPCES-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246530024 804381528 /nfs/dbraw/zinc/38/15/28/804381528.db2.gz MMYREVAOTDPCES-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246529737 804381543 /nfs/dbraw/zinc/38/15/43/804381543.db2.gz UHBNQCGTOIVDJZ-SJORKVTESA-N 2 1 276.399 3.180 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]CC2)c1 ZINC001246538349 804388739 /nfs/dbraw/zinc/38/87/39/804388739.db2.gz NOLYNIUKMVTJQZ-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246542087 804390462 /nfs/dbraw/zinc/39/04/62/804390462.db2.gz VHQBIQMQJKFVPX-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246542087 804390468 /nfs/dbraw/zinc/39/04/68/804390468.db2.gz VHQBIQMQJKFVPX-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543400 804391351 /nfs/dbraw/zinc/39/13/51/804391351.db2.gz MZLMBECUEOSKCF-IRXDYDNUSA-N 2 1 284.488 3.301 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246549687 804398763 /nfs/dbraw/zinc/39/87/63/804398763.db2.gz UEFIZOCGTJNFNW-FVQHAEBGSA-N 2 1 270.420 3.026 20 0 CGADMP CC1(C)CCC[N@@H+]1[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246549381 804398926 /nfs/dbraw/zinc/39/89/26/804398926.db2.gz KNAZRJGVLCGGKU-JKSUJKDBSA-N 2 1 258.409 3.354 20 0 CGADMP CC1(C)CCC[N@H+]1[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246549381 804398935 /nfs/dbraw/zinc/39/89/35/804398935.db2.gz KNAZRJGVLCGGKU-JKSUJKDBSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246552645 804402433 /nfs/dbraw/zinc/40/24/33/804402433.db2.gz QTQSEDJOYJVCMX-DYEKYZERSA-N 2 1 298.833 3.327 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552857 804402521 /nfs/dbraw/zinc/40/25/21/804402521.db2.gz WBFCPUOREYADPV-ZNMIVQPWSA-N 2 1 258.425 3.354 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556219 804406189 /nfs/dbraw/zinc/40/61/89/804406189.db2.gz DVRPUFYKHFNYKT-SJORKVTESA-N 2 1 284.488 3.301 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC(C)(C)C1 ZINC001246555622 804406727 /nfs/dbraw/zinc/40/67/27/804406727.db2.gz XUJGEUTVPRKIEK-FMKPAKJESA-N 2 1 252.446 3.405 20 0 CGADMP C[C@@H]1C[N@H+](C2CCCCCCC2)CCC[C@@H]1C[NH3+] ZINC001246559471 804407431 /nfs/dbraw/zinc/40/74/31/804407431.db2.gz AFUIYBPAJROTGA-HUUCEWRRSA-N 2 1 252.446 3.406 20 0 CGADMP C[N@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246558856 804408342 /nfs/dbraw/zinc/40/83/42/804408342.db2.gz ABRIFYNPCWXRQX-HZPDHXFCSA-N 2 1 278.415 3.424 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246558856 804408347 /nfs/dbraw/zinc/40/83/47/804408347.db2.gz ABRIFYNPCWXRQX-HZPDHXFCSA-N 2 1 278.415 3.424 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246561097 804410069 /nfs/dbraw/zinc/41/00/69/804410069.db2.gz IFZYCSVTUFUICO-SJORKVTESA-N 2 1 276.399 3.180 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246560345 804410370 /nfs/dbraw/zinc/41/03/70/804410370.db2.gz CVYDTZZUVOWLJC-IPYPFGDCSA-N 2 1 280.843 3.330 20 0 CGADMP CCCOC1CCC([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CC1 ZINC001246562002 804412253 /nfs/dbraw/zinc/41/22/53/804412253.db2.gz VHFIODQQOGSAHT-JUVOFCAFSA-N 2 1 282.472 3.031 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CC1 ZINC001246564299 804413588 /nfs/dbraw/zinc/41/35/88/804413588.db2.gz MKOVSKCGEOIKMR-UIDBIOKJSA-N 2 1 252.446 3.405 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001246567863 804415827 /nfs/dbraw/zinc/41/58/27/804415827.db2.gz MVJKXRWDNZUIGJ-XYJFISCASA-N 2 1 274.452 3.233 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246570218 804416977 /nfs/dbraw/zinc/41/69/77/804416977.db2.gz UKWBLHSUTPNZFD-IHRRRGAJSA-N 2 1 272.502 3.213 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246571085 804417033 /nfs/dbraw/zinc/41/70/33/804417033.db2.gz KUGZKWPWIRPYIA-TWMKSMIVSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC3(CC3)CC2)CCC[C@@H]1C[NH3+] ZINC001246570176 804417170 /nfs/dbraw/zinc/41/71/70/804417170.db2.gz TZZLAKWAPJMUOK-ZIAGYGMSSA-N 2 1 250.430 3.016 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001246569347 804417541 /nfs/dbraw/zinc/41/75/41/804417541.db2.gz CCEKMFXNEGLFQG-LSDHHAIUSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001246569347 804417547 /nfs/dbraw/zinc/41/75/47/804417547.db2.gz CCEKMFXNEGLFQG-LSDHHAIUSA-N 2 1 278.465 3.159 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246571971 804418807 /nfs/dbraw/zinc/41/88/07/804418807.db2.gz CQAQSADNQVCNHF-MSOLQXFVSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@@H]1C ZINC001246573041 804420787 /nfs/dbraw/zinc/42/07/87/804420787.db2.gz DZXQYBRQCRGEEG-FXUDXRNXSA-N 2 1 252.446 3.262 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576414 804422249 /nfs/dbraw/zinc/42/22/49/804422249.db2.gz KDYTYEFIKKGUTL-KURKYZTESA-N 2 1 290.426 3.476 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576414 804422253 /nfs/dbraw/zinc/42/22/53/804422253.db2.gz KDYTYEFIKKGUTL-KURKYZTESA-N 2 1 290.426 3.476 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246575608 804422313 /nfs/dbraw/zinc/42/23/13/804422313.db2.gz IMQNEMASOBEKCQ-WXRRBKDZSA-N 2 1 296.352 3.260 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246575608 804422317 /nfs/dbraw/zinc/42/23/17/804422317.db2.gz IMQNEMASOBEKCQ-WXRRBKDZSA-N 2 1 296.352 3.260 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246576242 804422698 /nfs/dbraw/zinc/42/26/98/804422698.db2.gz NMBFADQRIKNBPJ-YJNKXOJESA-N 2 1 256.409 3.120 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246576242 804422701 /nfs/dbraw/zinc/42/27/01/804422701.db2.gz NMBFADQRIKNBPJ-YJNKXOJESA-N 2 1 256.409 3.120 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1C ZINC001246576925 804422969 /nfs/dbraw/zinc/42/29/69/804422969.db2.gz URBSZFYNHBJVQY-BZUAXINKSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1(F)F ZINC001246578742 804424192 /nfs/dbraw/zinc/42/41/92/804424192.db2.gz HRPDIWPQUHWNEJ-CYBMUJFWSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1(F)F ZINC001246578742 804424194 /nfs/dbraw/zinc/42/41/94/804424194.db2.gz HRPDIWPQUHWNEJ-CYBMUJFWSA-N 2 1 286.410 3.276 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001246581619 804426235 /nfs/dbraw/zinc/42/62/35/804426235.db2.gz ZLSPZFGXYWXGCX-AEFFLSMTSA-N 2 1 274.452 3.377 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246585719 804429669 /nfs/dbraw/zinc/42/96/69/804429669.db2.gz QAKIRWLEKVAOIA-UKRRQHHQSA-N 2 1 272.502 3.358 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001246590055 804431565 /nfs/dbraw/zinc/43/15/65/804431565.db2.gz IBHZXSZNIMBMST-JZXOWHBKSA-N 2 1 274.452 3.375 20 0 CGADMP CC(C)[N@@H+]([C@H]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246590613 804433196 /nfs/dbraw/zinc/43/31/96/804433196.db2.gz HJHRJGDMFRTWPB-OAGGEKHMSA-N 2 1 252.446 3.418 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246596490 804437667 /nfs/dbraw/zinc/43/76/67/804437667.db2.gz ZOQRKYPHFSDPHF-ZNMIVQPWSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246596490 804437672 /nfs/dbraw/zinc/43/76/72/804437672.db2.gz ZOQRKYPHFSDPHF-ZNMIVQPWSA-N 2 1 258.425 3.497 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246602996 804440038 /nfs/dbraw/zinc/44/00/38/804440038.db2.gz LDLWOTLBHJULQC-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246602996 804440042 /nfs/dbraw/zinc/44/00/42/804440042.db2.gz LDLWOTLBHJULQC-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001246602684 804440718 /nfs/dbraw/zinc/44/07/18/804440718.db2.gz JBDUAEJLPLABKM-IXDOHACOSA-N 2 1 264.457 3.421 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C1 ZINC001246605464 804441844 /nfs/dbraw/zinc/44/18/44/804441844.db2.gz JWAOYGOTJWRMCS-GOEBONIOSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001246607315 804442130 /nfs/dbraw/zinc/44/21/30/804442130.db2.gz GJDSELYQLBZJML-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C1 ZINC001246607251 804442169 /nfs/dbraw/zinc/44/21/69/804442169.db2.gz OXHUUYZPOGGSDH-PMPSAXMXSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246608429 804442521 /nfs/dbraw/zinc/44/25/21/804442521.db2.gz HALGWIJSYBWBSU-OAHLLOKOSA-N 2 1 290.426 3.365 20 0 CGADMP CC[C@H]1C[C@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246612251 804446233 /nfs/dbraw/zinc/44/62/33/804446233.db2.gz HXVWOLWIORRZDR-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246611664 804446815 /nfs/dbraw/zinc/44/68/15/804446815.db2.gz VBTHNTLVJYEOPI-RDJZCZTQSA-N 2 1 264.457 3.421 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246615006 804448989 /nfs/dbraw/zinc/44/89/89/804448989.db2.gz QQFWRRDSJYHEOE-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)C[C@H](C)C1 ZINC001246616280 804450282 /nfs/dbraw/zinc/45/02/82/804450282.db2.gz VDOGFEKNIKNOAB-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)C[C@@H](C)C1 ZINC001246616282 804450910 /nfs/dbraw/zinc/45/09/10/804450910.db2.gz VDOGFEKNIKNOAB-HZMVEIRTSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246622688 804455023 /nfs/dbraw/zinc/45/50/23/804455023.db2.gz RSEVWWJTMSVXTN-HKUYNNGSSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246622688 804455027 /nfs/dbraw/zinc/45/50/27/804455027.db2.gz RSEVWWJTMSVXTN-HKUYNNGSSA-N 2 1 284.447 3.070 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246623584 804455956 /nfs/dbraw/zinc/45/59/56/804455956.db2.gz APKYYNUKNIEIQT-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246625020 804456942 /nfs/dbraw/zinc/45/69/42/804456942.db2.gz QSJPGBPGQDKSIT-BPQIPLTHSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634340 804463834 /nfs/dbraw/zinc/46/38/34/804463834.db2.gz BVUOZYOAXYSCNV-BZSNNMDCSA-N 2 1 296.499 3.149 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634180 804463923 /nfs/dbraw/zinc/46/39/23/804463923.db2.gz ASJIZJQFKPLQGN-IRXDYDNUSA-N 2 1 282.472 3.047 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246635015 804465335 /nfs/dbraw/zinc/46/53/35/804465335.db2.gz PPXRJLYDJQMUTA-SSHXOBKSSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246638158 804465690 /nfs/dbraw/zinc/46/56/90/804465690.db2.gz IRYKOJOREPSCQL-CQSZACIVSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)C[C@@H](C)C1 ZINC001246639777 804467229 /nfs/dbraw/zinc/46/72/29/804467229.db2.gz QTJCVDQZBGWWBD-CBBWQLFWSA-N 2 1 286.410 3.132 20 0 CGADMP CCC1CCC([N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246640706 804467534 /nfs/dbraw/zinc/46/75/34/804467534.db2.gz BVZRXQBBJIEMMB-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246643793 804470600 /nfs/dbraw/zinc/47/06/00/804470600.db2.gz DAMAVQQWAQUTSJ-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246642521 804471032 /nfs/dbraw/zinc/47/10/32/804471032.db2.gz WSPBHNKEYCZZQA-MSOLQXFVSA-N 2 1 296.499 3.437 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246643084 804471051 /nfs/dbraw/zinc/47/10/51/804471051.db2.gz QEIZARIIUZCVEZ-GOSISDBHSA-N 2 1 286.463 3.472 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246644235 804472380 /nfs/dbraw/zinc/47/23/80/804472380.db2.gz REVWNQGTDSIGEO-UMIMFARRSA-N 2 1 296.458 3.249 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC23CC[NH2+]CC3)CC(C)(C)C1 ZINC001246644100 804472633 /nfs/dbraw/zinc/47/26/33/804472633.db2.gz VKKIDUKXVWJOGL-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647662 804475059 /nfs/dbraw/zinc/47/50/59/804475059.db2.gz MIKDJHAHRIFYKY-JONQDZQNSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648528 804475947 /nfs/dbraw/zinc/47/59/47/804475947.db2.gz ZEFVAUUABFOVCE-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648528 804475948 /nfs/dbraw/zinc/47/59/48/804475948.db2.gz ZEFVAUUABFOVCE-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)COCC[C@@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649206 804477773 /nfs/dbraw/zinc/47/77/73/804477773.db2.gz AVHMTMRMWRZAMG-IAGOWNOFSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246650988 804478902 /nfs/dbraw/zinc/47/89/02/804478902.db2.gz VKAPFRGWCMYAQE-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246658602 804481676 /nfs/dbraw/zinc/48/16/76/804481676.db2.gz LCVNCAKSUHGNCC-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246658602 804481682 /nfs/dbraw/zinc/48/16/82/804481682.db2.gz LCVNCAKSUHGNCC-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CCC2(CCc3ccccc32)CC1 ZINC001246656827 804482289 /nfs/dbraw/zinc/48/22/89/804482289.db2.gz GGBHKARUEIBSGB-UGIAIQACSA-N 2 1 296.458 3.235 20 0 CGADMP c1ccc2c(c1)CCC([N@@H+]1CCCC13CC[NH2+]CC3)CC2 ZINC001246657452 804482464 /nfs/dbraw/zinc/48/24/64/804482464.db2.gz VQXQZSZSDVGVAT-UHFFFAOYSA-N 2 1 284.447 3.152 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3ccncc32)CC1 ZINC001140643680 804482589 /nfs/dbraw/zinc/48/25/89/804482589.db2.gz IALOCPMMFNEABX-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3ccncc32)CC1 ZINC001140643680 804482597 /nfs/dbraw/zinc/48/25/97/804482597.db2.gz IALOCPMMFNEABX-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@H]4CC[NH2+]C[C@H]43)C2)cc1 ZINC001246662432 804484902 /nfs/dbraw/zinc/48/49/02/804484902.db2.gz JAKIDKYEMLFXSZ-ZJPYXAASSA-N 2 1 270.420 3.007 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246663308 804485031 /nfs/dbraw/zinc/48/50/31/804485031.db2.gz JEWOWCHNVYRROY-KURKYZTESA-N 2 1 272.436 3.224 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246663308 804485032 /nfs/dbraw/zinc/48/50/32/804485032.db2.gz JEWOWCHNVYRROY-KURKYZTESA-N 2 1 272.436 3.224 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC001246668532 804487732 /nfs/dbraw/zinc/48/77/32/804487732.db2.gz OILGHQIKHCNQQS-MKXGPGLRSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)CCC[NH3+] ZINC001246681777 804494049 /nfs/dbraw/zinc/49/40/49/804494049.db2.gz QNCMJQIWOFUBOS-LLVKDONJSA-N 2 1 272.845 3.101 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246679543 804494805 /nfs/dbraw/zinc/49/48/05/804494805.db2.gz QYFHQGWNFXSWGV-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](C2CCCCC2)C3)cc1 ZINC001246685302 804496333 /nfs/dbraw/zinc/49/63/33/804496333.db2.gz OEBRFZNAVZZXMK-MOPGFXCFSA-N 2 1 284.447 3.398 20 0 CGADMP C[N@@H+](C1CC[NH2+]CC1)C1CCC2(CCc3ccccc32)CC1 ZINC001246693442 804499208 /nfs/dbraw/zinc/49/92/08/804499208.db2.gz KDOAXTMFYGHBSQ-UHFFFAOYSA-N 2 1 298.474 3.497 20 0 CGADMP C[N@@H+](C1CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC001246692691 804499891 /nfs/dbraw/zinc/49/98/91/804499891.db2.gz IADIAWAGYKUDKP-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246773660 804504972 /nfs/dbraw/zinc/50/49/72/804504972.db2.gz BDMMAVOJWVSGMF-CHWSQXEVSA-N 2 1 298.883 3.491 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246778457 804506614 /nfs/dbraw/zinc/50/66/14/804506614.db2.gz ODQHLYDHBZVTGJ-KRWDZBQOSA-N 2 1 284.447 3.398 20 0 CGADMP C[N@@H+](Cc1ccccc1F)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246787436 804510999 /nfs/dbraw/zinc/51/09/99/804510999.db2.gz CNWGREATDVXFGZ-OAHLLOKOSA-N 2 1 276.399 3.180 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)[C@H]1C ZINC001246788070 804511344 /nfs/dbraw/zinc/51/13/44/804511344.db2.gz HCVWPLYSEUPBOM-LXTVHRRPSA-N 2 1 252.446 3.274 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246790450 804512726 /nfs/dbraw/zinc/51/27/26/804512726.db2.gz GBGHCQYQEYUVFV-UFYCRDLUSA-N 2 1 298.474 3.473 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246792937 804514873 /nfs/dbraw/zinc/51/48/73/804514873.db2.gz SNCOPYTVMJWZHB-QRVBRYPASA-N 2 1 286.463 3.328 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246795067 804517232 /nfs/dbraw/zinc/51/72/32/804517232.db2.gz HLQYIIMFVUTMGZ-GHMZBOCLSA-N 2 1 287.234 3.205 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246795006 804517319 /nfs/dbraw/zinc/51/73/19/804517319.db2.gz HYJAQJDHYSHDKZ-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](C1CCCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246794788 804517562 /nfs/dbraw/zinc/51/75/62/804517562.db2.gz HBYDYNJAFNDOLD-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246794120 804517583 /nfs/dbraw/zinc/51/75/83/804517583.db2.gz ZAVKTAWEFYJFNM-ZBFHGGJFSA-N 2 1 288.435 3.363 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCc2ccccc2CC1 ZINC001246799439 804521494 /nfs/dbraw/zinc/52/14/94/804521494.db2.gz UQNRDPBQLKDKAF-UHFFFAOYSA-N 2 1 286.463 3.256 20 0 CGADMP C1CCC2(C1)CC[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246804152 804523834 /nfs/dbraw/zinc/52/38/34/804523834.db2.gz MGIHFIXYMMWZSY-HNNXBMFYSA-N 2 1 262.441 3.175 20 0 CGADMP COC(C)(C)[C@@H]1CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246810081 804526555 /nfs/dbraw/zinc/52/65/55/804526555.db2.gz MGLMLJBVYYRUJY-INIZCTEOSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC2(CCCCC2)CC1 ZINC001246815616 804532530 /nfs/dbraw/zinc/53/25/30/804532530.db2.gz ZOQPMDZYVAXTHQ-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835599 804544053 /nfs/dbraw/zinc/54/40/53/804544053.db2.gz JVPJYMPXDQSMQY-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246835586 804544722 /nfs/dbraw/zinc/54/47/22/804544722.db2.gz KQNZPHUEJAHIDZ-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]1C[C@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246835586 804544724 /nfs/dbraw/zinc/54/47/24/804544724.db2.gz KQNZPHUEJAHIDZ-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246838719 804546547 /nfs/dbraw/zinc/54/65/47/804546547.db2.gz FGURAKIORCILRY-KBPBESRZSA-N 2 1 276.424 3.046 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246837501 804546988 /nfs/dbraw/zinc/54/69/88/804546988.db2.gz USYFTDKTVQYIAM-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246840203 804547775 /nfs/dbraw/zinc/54/77/75/804547775.db2.gz GFSVIEKMENRWCO-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246842368 804550898 /nfs/dbraw/zinc/55/08/98/804550898.db2.gz QEGDFAMGILHQOR-FZKCQIBNSA-N 2 1 252.446 3.260 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246843018 804552219 /nfs/dbraw/zinc/55/22/19/804552219.db2.gz ASSDUKDEOZGTTN-INIZCTEOSA-N 2 1 264.457 3.421 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246843283 804552500 /nfs/dbraw/zinc/55/25/00/804552500.db2.gz FOUYOWDROVSHMZ-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246843858 804552661 /nfs/dbraw/zinc/55/26/61/804552661.db2.gz WXLUKOAOOSYGCD-UJWQCDCRSA-N 2 1 284.447 3.382 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246845795 804554076 /nfs/dbraw/zinc/55/40/76/804554076.db2.gz LXSRINKTYKMMLS-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]1C[C@H]([N@H+](CC)Cc2ccccc2F)CC[NH2+]1 ZINC001246846259 804557021 /nfs/dbraw/zinc/55/70/21/804557021.db2.gz NOHUEUIKUJKBFG-LSDHHAIUSA-N 2 1 264.388 3.178 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](CC)Cc2ccccc2F)CC[NH2+]1 ZINC001246846259 804557023 /nfs/dbraw/zinc/55/70/23/804557023.db2.gz NOHUEUIKUJKBFG-LSDHHAIUSA-N 2 1 264.388 3.178 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C[C@H](C)[NH2+]1 ZINC001246851045 804559587 /nfs/dbraw/zinc/55/95/87/804559587.db2.gz XYYMTTCXEHNIMT-IARIHHJXSA-N 2 1 276.399 3.144 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)CSc2ccc(C)cc2)C1 ZINC001246860925 804565465 /nfs/dbraw/zinc/56/54/65/804565465.db2.gz CEKLHTJOWKTIEQ-HUUCEWRRSA-N 2 1 278.465 3.017 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246861004 804565517 /nfs/dbraw/zinc/56/55/17/804565517.db2.gz IVTFSXKCEWLUPZ-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246861004 804565518 /nfs/dbraw/zinc/56/55/18/804565518.db2.gz IVTFSXKCEWLUPZ-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1CCC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246870408 804571737 /nfs/dbraw/zinc/57/17/37/804571737.db2.gz AUXOURKWEFCQLL-NQYYFHDYSA-N 2 1 284.447 3.038 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246869892 804571799 /nfs/dbraw/zinc/57/17/99/804571799.db2.gz XHBUVVHJWNJUBC-JLJPHGGASA-N 2 1 258.409 3.136 20 0 CGADMP C1CCC2(C1)CCC([N@@H+]1C[C@H]3CC[C@@H](C1)[NH2+]C3)CC2 ZINC001246869308 804572306 /nfs/dbraw/zinc/57/23/06/804572306.db2.gz WHXVEJWGMZWSRV-GJZGRUSLSA-N 2 1 262.441 3.173 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1C[C@H]3CC[C@@H](C1)[NH2+]C3)CC2 ZINC001246869308 804572308 /nfs/dbraw/zinc/57/23/08/804572308.db2.gz WHXVEJWGMZWSRV-GJZGRUSLSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C2(CC2)C1 ZINC001246892872 804583569 /nfs/dbraw/zinc/58/35/69/804583569.db2.gz JOFVMVDQYYZAJF-CGTJXYLNSA-N 2 1 284.447 3.224 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2c(C)cccc2C1 ZINC001246896229 804586103 /nfs/dbraw/zinc/58/61/03/804586103.db2.gz VYEJVYPYUZHPIY-SFHVURJKSA-N 2 1 286.463 3.316 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246899330 804587087 /nfs/dbraw/zinc/58/70/87/804587087.db2.gz DOBMXPZUAKJMQV-GUYCJALGSA-N 2 1 269.392 3.057 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246899330 804587090 /nfs/dbraw/zinc/58/70/90/804587090.db2.gz DOBMXPZUAKJMQV-GUYCJALGSA-N 2 1 269.392 3.057 20 0 CGADMP CC(C)C1CCC([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246908933 804592671 /nfs/dbraw/zinc/59/26/71/804592671.db2.gz GXFHEQKSNXCXIE-DHAXNPMCSA-N 2 1 252.446 3.403 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1F)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246909383 804593705 /nfs/dbraw/zinc/59/37/05/804593705.db2.gz PTBXPXLAOHGORE-YOEHRIQHSA-N 2 1 294.389 3.319 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)CCc2cccc(F)c2)CC[NH2+]1 ZINC001246911147 804595280 /nfs/dbraw/zinc/59/52/80/804595280.db2.gz OBVBEQVHTRNUBW-SJORKVTESA-N 2 1 278.415 3.077 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246912339 804595602 /nfs/dbraw/zinc/59/56/02/804595602.db2.gz RQJSZRXXHYKROV-ZDUSSCGKSA-N 2 1 280.843 3.345 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC001246941420 804609786 /nfs/dbraw/zinc/60/97/86/804609786.db2.gz JVSAOFXCLZVMFG-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP C1CC2(C1)CCC[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246939885 804610704 /nfs/dbraw/zinc/61/07/04/804610704.db2.gz HQMDOLWHLBOIMB-NVXWUHKLSA-N 2 1 262.441 3.175 20 0 CGADMP CCCCCC1CCC([N@H+]2CC[C@@](F)(C[NH3+])C2)CC1 ZINC001246945920 804613602 /nfs/dbraw/zinc/61/36/02/804613602.db2.gz MLPXBARDLOSFMT-UYSNPLJNSA-N 2 1 270.436 3.498 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C(C)C)[C@@H]2CCCNC2)CC1 ZINC001246955720 804618409 /nfs/dbraw/zinc/61/84/09/804618409.db2.gz UCZLFXOMKYMHEL-DAWZGUTISA-N 2 1 295.515 3.102 20 0 CGADMP CC[NH+](CC)C1CCC(N(C(C)C)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246955720 804618410 /nfs/dbraw/zinc/61/84/10/804618410.db2.gz UCZLFXOMKYMHEL-DAWZGUTISA-N 2 1 295.515 3.102 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246972917 804621943 /nfs/dbraw/zinc/62/19/43/804621943.db2.gz GJGJMOGUINTHSQ-CWRNSKLLSA-N 2 1 252.446 3.405 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246972912 804622104 /nfs/dbraw/zinc/62/21/04/804622104.db2.gz GISRSFQCOYDZEW-YHUYYLMFSA-N 2 1 252.446 3.405 20 0 CGADMP C[N@@H+](CCC1CC1)Cc1cccc(-n2ccnc2)c1 ZINC001141244609 804623939 /nfs/dbraw/zinc/62/39/39/804623939.db2.gz QXIQKSHNLQDSOD-UHFFFAOYSA-N 2 1 255.365 3.104 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247001557 804633963 /nfs/dbraw/zinc/63/39/63/804633963.db2.gz JLEAMBAMMYJPPQ-NVXWUHKLSA-N 2 1 284.447 3.312 20 0 CGADMP CCC[C@@H](C)[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001246999977 804634598 /nfs/dbraw/zinc/63/45/98/804634598.db2.gz DLPGQFPZYFMDLN-CQSZACIVSA-N 2 1 258.409 3.270 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247004332 804636229 /nfs/dbraw/zinc/63/62/29/804636229.db2.gz RIHKLDSPFBKZCA-CZUORRHYSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC(C)(C)C1 ZINC001247012443 804640661 /nfs/dbraw/zinc/64/06/61/804640661.db2.gz DPRHRWPBXXHAPM-LVQVYYBASA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC(C)(C)C1 ZINC001247012443 804640663 /nfs/dbraw/zinc/64/06/63/804640663.db2.gz DPRHRWPBXXHAPM-LVQVYYBASA-N 2 1 264.457 3.275 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247015214 804643046 /nfs/dbraw/zinc/64/30/46/804643046.db2.gz NKAXISPYISSLII-ZYSHUDEJSA-N 2 1 286.463 3.254 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143253279 804828874 /nfs/dbraw/zinc/82/88/74/804828874.db2.gz OZVMOWUNELUTBP-HOTGVXAUSA-N 2 1 294.389 3.398 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2cccc3nc(C)ccc23)CC1 ZINC001248569078 804954749 /nfs/dbraw/zinc/95/47/49/804954749.db2.gz PCPQOGPMIDRYBA-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3nc(C)ccc23)CC1 ZINC001248569078 804954753 /nfs/dbraw/zinc/95/47/53/804954753.db2.gz PCPQOGPMIDRYBA-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3nc(C)ccc23)CC1 ZINC001248569078 804954757 /nfs/dbraw/zinc/95/47/57/804954757.db2.gz PCPQOGPMIDRYBA-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144237929 804959068 /nfs/dbraw/zinc/95/90/68/804959068.db2.gz CQOGPZQRVITSBE-UHFFFAOYSA-N 2 1 283.419 3.003 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154985526 805517544 /nfs/dbraw/zinc/51/75/44/805517544.db2.gz NGKJYNODFQVRSJ-QWHCGFSZSA-N 2 1 255.365 3.225 20 0 CGADMP CC(C)[NH+](CCN[C@H]1CCC[N@H+](C2CCCC2)C1)C(C)C ZINC001256894720 806999716 /nfs/dbraw/zinc/99/97/16/806999716.db2.gz LVXGTOXFSVROGT-KRWDZBQOSA-N 2 1 295.515 3.102 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165432978 807003308 /nfs/dbraw/zinc/00/33/08/807003308.db2.gz VQMIJOYHBFSSRB-XJKSGUPXSA-N 2 1 299.393 3.056 20 0 CGADMP CC[N@H+](Cc1cccc(OC)c1)C1CC[NH+](C(C)C)CC1 ZINC001257222266 807064535 /nfs/dbraw/zinc/06/45/35/807064535.db2.gz ZUVFORPWPOJDMQ-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)C1CC[NH+](C(C)C)CC1 ZINC001257222266 807064543 /nfs/dbraw/zinc/06/45/43/807064543.db2.gz ZUVFORPWPOJDMQ-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC001257218113 807066160 /nfs/dbraw/zinc/06/61/60/807066160.db2.gz RJWFTYXXHNZZDH-INIZCTEOSA-N 2 1 287.451 3.134 20 0 CGADMP CCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001257318058 807104707 /nfs/dbraw/zinc/10/47/07/807104707.db2.gz ZXKPAPPWBJJHOI-KKUMJFAQSA-N 2 1 278.465 3.300 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCCC1 ZINC001257356164 807120055 /nfs/dbraw/zinc/12/00/55/807120055.db2.gz RKSSRVNENHEHCD-JKSUJKDBSA-N 2 1 250.430 3.268 20 0 CGADMP CC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001257439698 807156954 /nfs/dbraw/zinc/15/69/54/807156954.db2.gz KODYVPNHSBLVOU-NXHRZFHOSA-N 2 1 272.436 3.157 20 0 CGADMP CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001257439698 807156958 /nfs/dbraw/zinc/15/69/58/807156958.db2.gz KODYVPNHSBLVOU-NXHRZFHOSA-N 2 1 272.436 3.157 20 0 CGADMP CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001257439698 807156962 /nfs/dbraw/zinc/15/69/62/807156962.db2.gz KODYVPNHSBLVOU-NXHRZFHOSA-N 2 1 272.436 3.157 20 0 CGADMP CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001257439698 807156967 /nfs/dbraw/zinc/15/69/67/807156967.db2.gz KODYVPNHSBLVOU-NXHRZFHOSA-N 2 1 272.436 3.157 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2CCCCC2)CC1 ZINC001257453501 807164645 /nfs/dbraw/zinc/16/46/45/807164645.db2.gz OQJWKKGFADQFNO-SAZUREKKSA-N 2 1 250.430 3.444 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC001257657806 807205229 /nfs/dbraw/zinc/20/52/29/807205229.db2.gz PUFGARIZKWUSQR-CVEARBPZSA-N 2 1 278.465 3.165 20 0 CGADMP CC(C)OC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001257877401 807233779 /nfs/dbraw/zinc/23/37/79/807233779.db2.gz GFHHWESOFZLFRT-BFWZDYSYSA-N 2 1 296.499 3.431 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC(OC(C)C)CC1 ZINC001257885509 807237699 /nfs/dbraw/zinc/23/76/99/807237699.db2.gz MRWWCFNLRVDIRZ-UHFFFAOYSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001167826806 807255654 /nfs/dbraw/zinc/25/56/54/807255654.db2.gz RKCQGZCOBROTFA-KGLIPLIRSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C(C)C)C1CCOCC1 ZINC001167835218 807258471 /nfs/dbraw/zinc/25/84/71/807258471.db2.gz OWGGLBUVHPASDS-INIZCTEOSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001167836827 807258591 /nfs/dbraw/zinc/25/85/91/807258591.db2.gz HSUFNEXINPIJIT-ZDUSSCGKSA-N 2 1 276.415 3.474 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001258015161 807265748 /nfs/dbraw/zinc/26/57/48/807265748.db2.gz YSOIIZHCRZUNQL-GOSISDBHSA-N 2 1 287.451 3.339 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001258015161 807265749 /nfs/dbraw/zinc/26/57/49/807265749.db2.gz YSOIIZHCRZUNQL-GOSISDBHSA-N 2 1 287.451 3.339 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258018954 807266021 /nfs/dbraw/zinc/26/60/21/807266021.db2.gz XHBVAYMQZZDRDG-UHFFFAOYSA-N 2 1 286.463 3.474 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258018954 807266028 /nfs/dbraw/zinc/26/60/28/807266028.db2.gz XHBVAYMQZZDRDG-UHFFFAOYSA-N 2 1 286.463 3.474 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCCCC[C@@H]2C)CC1 ZINC001258014393 807266164 /nfs/dbraw/zinc/26/61/64/807266164.db2.gz IPQRXNDFAQKYTL-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC001258016391 807267268 /nfs/dbraw/zinc/26/72/68/807267268.db2.gz HKAHPVCAEBWHIS-UHFFFAOYSA-N 2 1 266.454 3.300 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC001258016391 807267273 /nfs/dbraw/zinc/26/72/73/807267273.db2.gz HKAHPVCAEBWHIS-UHFFFAOYSA-N 2 1 266.454 3.300 20 0 CGADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917982 807273601 /nfs/dbraw/zinc/27/36/01/807273601.db2.gz QAMCHVKRMSLRFK-VIKVFOODSA-N 2 1 290.838 3.388 20 0 CGADMP Cc1cc2ccccc2c(NC(=[NH2+])SCC[NH3+])c1 ZINC001167915746 807274179 /nfs/dbraw/zinc/27/41/79/807274179.db2.gz KEDCDAJOLYVJCF-UHFFFAOYSA-N 2 1 259.378 3.187 20 0 CGADMP FC1(F)CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167958451 807286692 /nfs/dbraw/zinc/28/66/92/807286692.db2.gz DZZOTRNDCXGTAO-FFHGMXDLSA-N 2 1 284.394 3.169 20 0 CGADMP C1=CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975902 807290954 /nfs/dbraw/zinc/29/09/54/807290954.db2.gz ZUCWBSFMUVWJEF-MGNMYUMUSA-N 2 1 260.425 3.090 20 0 CGADMP C[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C(C)(C)C ZINC001167994137 807292105 /nfs/dbraw/zinc/29/21/05/807292105.db2.gz XFMYRAIIRIVUBW-YIONKMFJSA-N 2 1 250.430 3.122 20 0 CGADMP C[NH+](C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(C)(C)C ZINC001167994137 807292110 /nfs/dbraw/zinc/29/21/10/807292110.db2.gz XFMYRAIIRIVUBW-YIONKMFJSA-N 2 1 250.430 3.122 20 0 CGADMP C[NH+](C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)(C)C ZINC001167994137 807292119 /nfs/dbraw/zinc/29/21/19/807292119.db2.gz XFMYRAIIRIVUBW-YIONKMFJSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258086885 807300699 /nfs/dbraw/zinc/30/06/99/807300699.db2.gz ZCVORDXVTUZXAH-BZUAXINKSA-N 2 1 280.456 3.092 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258095390 807303760 /nfs/dbraw/zinc/30/37/60/807303760.db2.gz FPAXRQFSIPLZIH-ZACQAIPSSA-N 2 1 264.457 3.395 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258095390 807303768 /nfs/dbraw/zinc/30/37/68/807303768.db2.gz FPAXRQFSIPLZIH-ZACQAIPSSA-N 2 1 264.457 3.395 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@@H](C)C1 ZINC001258157117 807325473 /nfs/dbraw/zinc/32/54/73/807325473.db2.gz ZOKBCCGNCZZJTM-ZSHCYNCHSA-N 3 1 297.531 3.286 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccco1 ZINC001258181259 807345429 /nfs/dbraw/zinc/34/54/29/807345429.db2.gz LPYABRAMCHCGCN-HOTGVXAUSA-N 2 1 286.419 3.308 20 0 CGADMP CSCC[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001258220745 807371151 /nfs/dbraw/zinc/37/11/51/807371151.db2.gz YBIYZKDQPVIFCL-HZPDHXFCSA-N 2 1 284.513 3.468 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001168322896 807383261 /nfs/dbraw/zinc/38/32/61/807383261.db2.gz IIYWSCLGYROJPD-JCYILVPMSA-N 2 1 273.424 3.091 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168328165 807385144 /nfs/dbraw/zinc/38/51/44/807385144.db2.gz YDPGCTJUKYYNJL-RWBZWWBESA-N 2 1 272.436 3.306 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CC/C=C/c2cccnc2)CC1 ZINC001168329545 807386896 /nfs/dbraw/zinc/38/68/96/807386896.db2.gz XLHQWTKKWDCSCA-QPJJXVBHSA-N 2 1 287.451 3.290 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168379336 807397810 /nfs/dbraw/zinc/39/78/10/807397810.db2.gz ICCUETVXLDVFOF-UHFFFAOYSA-N 2 1 272.436 3.301 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168395321 807402549 /nfs/dbraw/zinc/40/25/49/807402549.db2.gz VDDVHRXQTJTOOQ-UHFFFAOYSA-N 2 1 284.447 3.228 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168395321 807402552 /nfs/dbraw/zinc/40/25/52/807402552.db2.gz VDDVHRXQTJTOOQ-UHFFFAOYSA-N 2 1 284.447 3.228 20 0 CGADMP CSC(C)(C)C[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258345693 807421765 /nfs/dbraw/zinc/42/17/65/807421765.db2.gz PRPLXKMYKAVPHK-LBPRGKRZSA-N 2 1 281.469 3.443 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258453717 807459297 /nfs/dbraw/zinc/45/92/97/807459297.db2.gz TVXHRKRMHJMZDX-RCBQFDQVSA-N 2 1 250.430 3.157 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001258599814 807499762 /nfs/dbraw/zinc/49/97/62/807499762.db2.gz JIBFLYYXIMAKHK-QLFBSQMISA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168745837 807503919 /nfs/dbraw/zinc/50/39/19/807503919.db2.gz ZFWSRUIBAHKIFQ-CQSZACIVSA-N 2 1 280.843 3.081 20 0 CGADMP CCCCC[C@H](CCC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258666756 807534816 /nfs/dbraw/zinc/53/48/16/807534816.db2.gz KOSOEIUJIQRGCN-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001169086516 807572146 /nfs/dbraw/zinc/57/21/46/807572146.db2.gz UPVHOVHQSNOLFG-SFHVURJKSA-N 2 1 297.446 3.399 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001169086516 807572148 /nfs/dbraw/zinc/57/21/48/807572148.db2.gz UPVHOVHQSNOLFG-SFHVURJKSA-N 2 1 297.446 3.399 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001169098077 807574974 /nfs/dbraw/zinc/57/49/74/807574974.db2.gz FMSSYTNFWKDISJ-JEJJNBGPSA-N 2 1 292.373 3.036 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CCCCCC1)C2 ZINC001169100482 807576633 /nfs/dbraw/zinc/57/66/33/807576633.db2.gz JTTJNHLNUNWPCF-PHZGNYQRSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101498 807577848 /nfs/dbraw/zinc/57/78/48/807577848.db2.gz SWFMMDWRTSOVMR-PHZGNYQRSA-N 2 1 258.409 3.018 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(F)cc1)C2 ZINC001169108523 807579081 /nfs/dbraw/zinc/57/90/81/807579081.db2.gz AMXHRWFJXUARQD-PHZGNYQRSA-N 2 1 276.399 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C1)C2 ZINC001169119825 807582485 /nfs/dbraw/zinc/58/24/85/807582485.db2.gz WXEPSZMEVSGNLE-APIJFGDWSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC001169122979 807583000 /nfs/dbraw/zinc/58/30/00/807583000.db2.gz GTHZSNKWEYZJBA-HNKHHVNMSA-N 2 1 276.399 3.410 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258737606 807583363 /nfs/dbraw/zinc/58/33/63/807583363.db2.gz HLTKQKREOFVBDE-SJWGOKEGSA-N 2 1 292.854 3.486 20 0 CGADMP Cc1ncccc1[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169118035 807583981 /nfs/dbraw/zinc/58/39/81/807583981.db2.gz CEXZWWOEVBQRMP-KYHPRHEASA-N 2 1 285.435 3.056 20 0 CGADMP CC1(C)C[C@@H](Nc2cc(Cl)cc(N)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169142259 807588846 /nfs/dbraw/zinc/58/88/46/807588846.db2.gz MDXLNQBRTJCSRW-ABAIWWIYSA-N 2 1 296.846 3.273 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147014 807592409 /nfs/dbraw/zinc/59/24/09/807592409.db2.gz REVOPDFTJIGJIF-CAOSSQGBSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147014 807592416 /nfs/dbraw/zinc/59/24/16/807592416.db2.gz REVOPDFTJIGJIF-CAOSSQGBSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147014 807592421 /nfs/dbraw/zinc/59/24/21/807592421.db2.gz REVOPDFTJIGJIF-CAOSSQGBSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147014 807592425 /nfs/dbraw/zinc/59/24/25/807592425.db2.gz REVOPDFTJIGJIF-CAOSSQGBSA-N 2 1 288.435 3.313 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169146141 807592548 /nfs/dbraw/zinc/59/25/48/807592548.db2.gz OZRWCDBRIUMSCO-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169146141 807592551 /nfs/dbraw/zinc/59/25/51/807592551.db2.gz OZRWCDBRIUMSCO-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169146141 807592553 /nfs/dbraw/zinc/59/25/53/807592553.db2.gz OZRWCDBRIUMSCO-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258767858 807602758 /nfs/dbraw/zinc/60/27/58/807602758.db2.gz YFXBXVNHABYDIR-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ncccc2C)C2CC2)CC1 ZINC001258766873 807602781 /nfs/dbraw/zinc/60/27/81/807602781.db2.gz HOUYVCPEDKMPTJ-GOSISDBHSA-N 2 1 287.451 3.305 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3ccc(C)cc3)CC2)CC1 ZINC001169230893 807610268 /nfs/dbraw/zinc/61/02/68/807610268.db2.gz NNVXYBIWRVNRSJ-UHFFFAOYSA-N 2 1 258.409 3.058 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258792655 807615874 /nfs/dbraw/zinc/61/58/74/807615874.db2.gz IGIULUALXCMRHG-HUUCEWRRSA-N 2 1 295.471 3.331 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](CC)C[C@H](C)CC)C[C@@H]2C1 ZINC001258797124 807618941 /nfs/dbraw/zinc/61/89/41/807618941.db2.gz JMHOIPPSLWASAS-WCXIOVBPSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](CC)C[C@H](C)CC)C[C@@H]2C1 ZINC001258797124 807618943 /nfs/dbraw/zinc/61/89/43/807618943.db2.gz JMHOIPPSLWASAS-WCXIOVBPSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001169266347 807619587 /nfs/dbraw/zinc/61/95/87/807619587.db2.gz VZKRENOZRRVAFP-OAHLLOKOSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001169266347 807619591 /nfs/dbraw/zinc/61/95/91/807619591.db2.gz VZKRENOZRRVAFP-OAHLLOKOSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001169268885 807620417 /nfs/dbraw/zinc/62/04/17/807620417.db2.gz QHJRIROPPUOBAM-KRWDZBQOSA-N 2 1 258.409 3.090 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001169268885 807620420 /nfs/dbraw/zinc/62/04/20/807620420.db2.gz QHJRIROPPUOBAM-KRWDZBQOSA-N 2 1 258.409 3.090 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258851092 807659281 /nfs/dbraw/zinc/65/92/81/807659281.db2.gz NXYLCHMBEFSBNE-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258851092 807659285 /nfs/dbraw/zinc/65/92/85/807659285.db2.gz NXYLCHMBEFSBNE-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258851092 807659289 /nfs/dbraw/zinc/65/92/89/807659289.db2.gz NXYLCHMBEFSBNE-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC001258897934 807668594 /nfs/dbraw/zinc/66/85/94/807668594.db2.gz DEWIDRIQNCXYOD-GOSISDBHSA-N 2 1 297.531 3.209 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC001258907643 807672352 /nfs/dbraw/zinc/67/23/52/807672352.db2.gz LSBFDMRIHCJBGA-GJZGRUSLSA-N 2 1 258.425 3.321 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001170117834 807764446 /nfs/dbraw/zinc/76/44/46/807764446.db2.gz NWXGQNDBCMDKGR-KBMXLJTQSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001170117834 807764448 /nfs/dbraw/zinc/76/44/48/807764448.db2.gz NWXGQNDBCMDKGR-KBMXLJTQSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)o1 ZINC001261787492 807787532 /nfs/dbraw/zinc/78/75/32/807787532.db2.gz QLPMWPDFVUVITB-TZMCWYRMSA-N 2 1 264.413 3.420 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)o1 ZINC001261787492 807787541 /nfs/dbraw/zinc/78/75/41/807787541.db2.gz QLPMWPDFVUVITB-TZMCWYRMSA-N 2 1 264.413 3.420 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CCO1 ZINC001170233904 807797697 /nfs/dbraw/zinc/79/76/97/807797697.db2.gz HJLNTEJBXCIWEA-XLAORIBOSA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@@H]1C[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001170233904 807797699 /nfs/dbraw/zinc/79/76/99/807797699.db2.gz HJLNTEJBXCIWEA-XLAORIBOSA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@@H]1C[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CCO1 ZINC001170233904 807797703 /nfs/dbraw/zinc/79/77/03/807797703.db2.gz HJLNTEJBXCIWEA-XLAORIBOSA-N 2 1 294.483 3.283 20 0 CGADMP CSC(C)(C)CC[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001262379277 807863770 /nfs/dbraw/zinc/86/37/70/807863770.db2.gz WJFBCSOXVMBICS-ZNMIVQPWSA-N 2 1 284.513 3.180 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@@H+](CC3CC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170738834 807894726 /nfs/dbraw/zinc/89/47/26/807894726.db2.gz PDPNKIXOXPVXSC-RDSHKEJNSA-N 2 1 276.468 3.403 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170753411 807898817 /nfs/dbraw/zinc/89/88/17/807898817.db2.gz PPZJINFKRTZGOE-MUJYYYPQSA-N 2 1 299.462 3.363 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170901526 807928407 /nfs/dbraw/zinc/92/84/07/807928407.db2.gz DKWAEOXYPQSMQY-NRXISQOPSA-N 2 1 292.854 3.399 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171100738 807984499 /nfs/dbraw/zinc/98/44/99/807984499.db2.gz PQZRWHXKMIPRGQ-OFLPRAFFSA-N 2 1 292.854 3.399 20 0 CGADMP Cc1cccc2c1CC[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001171573451 808100385 /nfs/dbraw/zinc/10/03/85/808100385.db2.gz IENZCNHLARNSPJ-KRWDZBQOSA-N 2 1 295.430 3.389 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2c(C)cccc2C1 ZINC001171573927 808102071 /nfs/dbraw/zinc/10/20/71/808102071.db2.gz KHUNWDKGJWADFN-QGZVFWFLSA-N 2 1 274.452 3.126 20 0 CGADMP Cc1occc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623232 808106553 /nfs/dbraw/zinc/10/65/53/808106553.db2.gz PRIQVCFZRBQXPY-UHFFFAOYSA-N 2 1 264.413 3.329 20 0 CGADMP COC[C@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631051 808107864 /nfs/dbraw/zinc/10/78/64/808107864.db2.gz DEOSOKJXGQKYEC-CQSZACIVSA-N 2 1 282.472 3.139 20 0 CGADMP CCCO[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171638148 808109534 /nfs/dbraw/zinc/10/95/34/808109534.db2.gz UJDPBQXWCHECGP-HNNXBMFYSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@@]1(C)O ZINC001171632121 808109679 /nfs/dbraw/zinc/10/96/79/808109679.db2.gz VJWJPNNUZIRRBM-RDTXWAMCSA-N 2 1 296.499 3.121 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001171658202 808114008 /nfs/dbraw/zinc/11/40/08/808114008.db2.gz PNZDIQMVMHBIJQ-WMZOPIPTSA-N 2 1 274.452 3.390 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)cc1 ZINC001171663252 808115054 /nfs/dbraw/zinc/11/50/54/808115054.db2.gz JPQLRMQMQCKRDV-ISARSNTHSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001171681655 808123135 /nfs/dbraw/zinc/12/31/35/808123135.db2.gz KVFJIRFFTDDFSI-BHIYHBOVSA-N 2 1 286.463 3.200 20 0 CGADMP FCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061935 808168802 /nfs/dbraw/zinc/16/88/02/808168802.db2.gz KCLSAWHIFQLNHE-OSYLJGHBSA-N 2 1 276.399 3.131 20 0 CGADMP FCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061935 808168807 /nfs/dbraw/zinc/16/88/07/808168807.db2.gz KCLSAWHIFQLNHE-OSYLJGHBSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001172100583 808172161 /nfs/dbraw/zinc/17/21/61/808172161.db2.gz FNAPKJKFRZZSDC-XQLPTFJDSA-N 2 1 276.399 3.492 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172100259 808172808 /nfs/dbraw/zinc/17/28/08/808172808.db2.gz CJYUDTXFVAXJMX-NNZMDNLPSA-N 2 1 272.436 3.408 20 0 CGADMP CC(C)C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC001172106519 808176668 /nfs/dbraw/zinc/17/66/68/808176668.db2.gz PWKHSJCUQZHULQ-QKDCVEJESA-N 2 1 252.446 3.272 20 0 CGADMP CC(C)C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001172106519 808176674 /nfs/dbraw/zinc/17/66/74/808176674.db2.gz PWKHSJCUQZHULQ-QKDCVEJESA-N 2 1 252.446 3.272 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172111116 808177952 /nfs/dbraw/zinc/17/79/52/808177952.db2.gz QCHNUVJOKCRROK-MKZZRHPPSA-N 2 1 294.483 3.328 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172111116 808177957 /nfs/dbraw/zinc/17/79/57/808177957.db2.gz QCHNUVJOKCRROK-MKZZRHPPSA-N 2 1 294.483 3.328 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001172115759 808180205 /nfs/dbraw/zinc/18/02/05/808180205.db2.gz AAHVLIZECFJKBA-MTSZKFMLSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001172115759 808180207 /nfs/dbraw/zinc/18/02/07/808180207.db2.gz AAHVLIZECFJKBA-MTSZKFMLSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001172115759 808180209 /nfs/dbraw/zinc/18/02/09/808180209.db2.gz AAHVLIZECFJKBA-MTSZKFMLSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172115759 808180211 /nfs/dbraw/zinc/18/02/11/808180211.db2.gz AAHVLIZECFJKBA-MTSZKFMLSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)c1ncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC001172116795 808181240 /nfs/dbraw/zinc/18/12/40/808181240.db2.gz IRNIENGWRNAEGR-BTTYYORXSA-N 2 1 293.480 3.371 20 0 CGADMP C[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122249 808184048 /nfs/dbraw/zinc/18/40/48/808184048.db2.gz YHQPREGKDJRNCW-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122249 808184053 /nfs/dbraw/zinc/18/40/53/808184053.db2.gz YHQPREGKDJRNCW-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172122249 808184062 /nfs/dbraw/zinc/18/40/62/808184062.db2.gz YHQPREGKDJRNCW-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172122249 808184068 /nfs/dbraw/zinc/18/40/68/808184068.db2.gz YHQPREGKDJRNCW-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123283 808185701 /nfs/dbraw/zinc/18/57/01/808185701.db2.gz ZFHOVKQDOOCRHG-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@H]1CCCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123283 808185704 /nfs/dbraw/zinc/18/57/04/808185704.db2.gz ZFHOVKQDOOCRHG-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@H]1CCCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123283 808185708 /nfs/dbraw/zinc/18/57/08/808185708.db2.gz ZFHOVKQDOOCRHG-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@H]1CCCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123283 808185712 /nfs/dbraw/zinc/18/57/12/808185712.db2.gz ZFHOVKQDOOCRHG-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124215 808186547 /nfs/dbraw/zinc/18/65/47/808186547.db2.gz JNHFHPPGNSZMNF-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124215 808186552 /nfs/dbraw/zinc/18/65/52/808186552.db2.gz JNHFHPPGNSZMNF-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124215 808186557 /nfs/dbraw/zinc/18/65/57/808186557.db2.gz JNHFHPPGNSZMNF-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124215 808186563 /nfs/dbraw/zinc/18/65/63/808186563.db2.gz JNHFHPPGNSZMNF-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@H]1C ZINC001172373690 808268318 /nfs/dbraw/zinc/26/83/18/808268318.db2.gz MXDHRQUTUSKBBS-INMHGKMJSA-N 2 1 276.468 3.229 20 0 CGADMP CCCCCC[C@H](CCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172392479 808282881 /nfs/dbraw/zinc/28/28/81/808282881.db2.gz XUGIVEBQAGUWTE-CABCVRRESA-N 2 1 281.444 3.057 20 0 CGADMP CC[C@H](CC(C)C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172404381 808291088 /nfs/dbraw/zinc/29/10/88/808291088.db2.gz WFDJRRZAXDNWCF-MRXNPFEDSA-N 2 1 296.499 3.386 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172462258 808331803 /nfs/dbraw/zinc/33/18/03/808331803.db2.gz NYQPOKDVCWQZES-DLBZAZTESA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)[C@H](C)C1 ZINC001172654642 808409405 /nfs/dbraw/zinc/40/94/05/808409405.db2.gz JGIPABNRYUWJLI-ZBFHGGJFSA-N 2 1 296.499 3.431 20 0 CGADMP C[N@@H+]([C@H]1Cc2ccc(Cl)cc2C1)C1CCC([NH3+])CC1 ZINC001172709600 808413658 /nfs/dbraw/zinc/41/36/58/808413658.db2.gz CCJLUGAKKSVFME-GPANFISMSA-N 2 1 278.827 3.009 20 0 CGADMP CC(C)(C[NH3+])[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172816299 808443422 /nfs/dbraw/zinc/44/34/22/808443422.db2.gz GHFFWOXRFIKHHM-UHFFFAOYSA-N 2 1 260.425 3.115 20 0 CGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001172817602 808445046 /nfs/dbraw/zinc/44/50/46/808445046.db2.gz YHISRWOTMBPCTQ-XBMUEBEBSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172827198 808448666 /nfs/dbraw/zinc/44/86/66/808448666.db2.gz AQZMNRAAJYQAJB-LWYYNNOASA-N 2 1 298.474 3.457 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172827198 808448668 /nfs/dbraw/zinc/44/86/68/808448668.db2.gz AQZMNRAAJYQAJB-LWYYNNOASA-N 2 1 298.474 3.457 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001172953568 808494586 /nfs/dbraw/zinc/49/45/86/808494586.db2.gz PTTRRAOJDUWZNQ-IRXDYDNUSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001173110250 808513098 /nfs/dbraw/zinc/51/30/98/808513098.db2.gz QQYOJWXNRFOWDE-DNDYEEKYSA-N 2 1 256.409 3.072 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCc2cccnc2)CC1 ZINC001173112729 808513894 /nfs/dbraw/zinc/51/38/94/808513894.db2.gz ACYSINUMUZGRPG-UHFFFAOYSA-N 2 1 289.467 3.209 20 0 CGADMP CCCC[C@H](CC(C)C)n1c(C)c[nH+]c1CC[NH3+] ZINC001173245458 808553315 /nfs/dbraw/zinc/55/33/15/808553315.db2.gz GGIQHEDIHMJJLT-CQSZACIVSA-N 2 1 251.418 3.470 20 0 CGADMP CC[N@H+]1CC[C@@H](n2c(C[NH3+])cc3cc(Cl)ccc32)C1 ZINC001173351667 808626689 /nfs/dbraw/zinc/62/66/89/808626689.db2.gz WGBVYZVIVBMKKJ-CYBMUJFWSA-N 2 1 277.799 3.020 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275061040 808903638 /nfs/dbraw/zinc/90/36/38/808903638.db2.gz AKZGRFKXOWZPPN-MRXNPFEDSA-N 2 1 289.467 3.349 20 0 CGADMP CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3scnc3C)CC[C@@H]2C1 ZINC001275102843 808908292 /nfs/dbraw/zinc/90/82/92/808908292.db2.gz BIXLQKAGMIJROX-GASCZTMLSA-N 2 1 293.480 3.005 20 0 CGADMP CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001275102843 808908299 /nfs/dbraw/zinc/90/82/99/808908299.db2.gz BIXLQKAGMIJROX-GASCZTMLSA-N 2 1 293.480 3.005 20 0 CGADMP CCC[NH+]1C[C@@H]2CC[N@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001275102843 808908304 /nfs/dbraw/zinc/90/83/04/808908304.db2.gz BIXLQKAGMIJROX-GASCZTMLSA-N 2 1 293.480 3.005 20 0 CGADMP COc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275253232 808923385 /nfs/dbraw/zinc/92/33/85/808923385.db2.gz YNEIFBHQJIQJOJ-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275253232 808923389 /nfs/dbraw/zinc/92/33/89/808923389.db2.gz YNEIFBHQJIQJOJ-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275253232 808923392 /nfs/dbraw/zinc/92/33/92/808923392.db2.gz YNEIFBHQJIQJOJ-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275253232 808923395 /nfs/dbraw/zinc/92/33/95/808923395.db2.gz YNEIFBHQJIQJOJ-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001275287000 808926462 /nfs/dbraw/zinc/92/64/62/808926462.db2.gz HCKCBOYDPSGXDN-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1Cl)CC2 ZINC001275305594 808928022 /nfs/dbraw/zinc/92/80/22/808928022.db2.gz LQZGGQUUCANMRK-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1Cl)CC2 ZINC001275305594 808928026 /nfs/dbraw/zinc/92/80/26/808928026.db2.gz LQZGGQUUCANMRK-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001275912310 808975170 /nfs/dbraw/zinc/97/51/70/808975170.db2.gz QDMPXFUACFIMMD-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275912310 808975172 /nfs/dbraw/zinc/97/51/72/808975172.db2.gz QDMPXFUACFIMMD-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275912310 808975175 /nfs/dbraw/zinc/97/51/75/808975175.db2.gz QDMPXFUACFIMMD-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276030566 808984547 /nfs/dbraw/zinc/98/45/47/808984547.db2.gz DQOXWMVKAXVKSS-WCXIOVBPSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276030566 808984551 /nfs/dbraw/zinc/98/45/51/808984551.db2.gz DQOXWMVKAXVKSS-WCXIOVBPSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276030566 808984557 /nfs/dbraw/zinc/98/45/57/808984557.db2.gz DQOXWMVKAXVKSS-WCXIOVBPSA-N 2 1 276.468 3.229 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001276054585 808986243 /nfs/dbraw/zinc/98/62/43/808986243.db2.gz MIOLHOSAOJNOOG-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001276054585 808986247 /nfs/dbraw/zinc/98/62/47/808986247.db2.gz MIOLHOSAOJNOOG-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001276054585 808986250 /nfs/dbraw/zinc/98/62/50/808986250.db2.gz MIOLHOSAOJNOOG-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1cc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001276175173 808991845 /nfs/dbraw/zinc/99/18/45/808991845.db2.gz WMLXKXCMRYSGRK-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1 ZINC001276175173 808991848 /nfs/dbraw/zinc/99/18/48/808991848.db2.gz WMLXKXCMRYSGRK-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1cc(F)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1 ZINC001276175173 808991849 /nfs/dbraw/zinc/99/18/49/808991849.db2.gz WMLXKXCMRYSGRK-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1cccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1C ZINC001276228568 808994243 /nfs/dbraw/zinc/99/42/43/808994243.db2.gz YYFDQSZPJPYEPN-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001276243498 808995489 /nfs/dbraw/zinc/99/54/89/808995489.db2.gz GWZKWIMWSIWAAW-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP Cc1cccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1F ZINC001276305034 809000704 /nfs/dbraw/zinc/00/07/04/809000704.db2.gz WPJUKEHDFKHXON-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP CC(C)CCC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001276530235 809015097 /nfs/dbraw/zinc/01/50/97/809015097.db2.gz QBIOTDWGBVFYSY-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)CCC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276530235 809015103 /nfs/dbraw/zinc/01/51/03/809015103.db2.gz QBIOTDWGBVFYSY-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[C@@H](C)C1 ZINC001175203476 809306674 /nfs/dbraw/zinc/30/66/74/809306674.db2.gz OQHFUBRKWMOSIA-SJLPKXTDSA-N 2 1 296.499 3.103 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC001177337913 809795063 /nfs/dbraw/zinc/79/50/63/809795063.db2.gz OFSNMIJOQBTJBV-UKRRQHHQSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC001177742470 809817926 /nfs/dbraw/zinc/81/79/26/809817926.db2.gz IVOTWUPHYQFRHK-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001177795049 809823179 /nfs/dbraw/zinc/82/31/79/809823179.db2.gz MNMJLIAUUXBQOD-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001177795049 809823185 /nfs/dbraw/zinc/82/31/85/809823185.db2.gz MNMJLIAUUXBQOD-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(F)c1 ZINC001178462571 809868303 /nfs/dbraw/zinc/86/83/03/809868303.db2.gz HBQWHMAKBKWUMM-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001183370658 810146780 /nfs/dbraw/zinc/14/67/80/810146780.db2.gz IQTQVZQFTNIRBR-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001183370658 810146783 /nfs/dbraw/zinc/14/67/83/810146783.db2.gz IQTQVZQFTNIRBR-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001183370658 810146786 /nfs/dbraw/zinc/14/67/86/810146786.db2.gz IQTQVZQFTNIRBR-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC001183370658 810146789 /nfs/dbraw/zinc/14/67/89/810146789.db2.gz IQTQVZQFTNIRBR-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)s1 ZINC001183372259 810147284 /nfs/dbraw/zinc/14/72/84/810147284.db2.gz ZWGBKKZCBFVHMM-CJNGLKHVSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)s1 ZINC001183372259 810147287 /nfs/dbraw/zinc/14/72/87/810147287.db2.gz ZWGBKKZCBFVHMM-CJNGLKHVSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)s1 ZINC001183372259 810147289 /nfs/dbraw/zinc/14/72/89/810147289.db2.gz ZWGBKKZCBFVHMM-CJNGLKHVSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)s1 ZINC001183372259 810147292 /nfs/dbraw/zinc/14/72/92/810147292.db2.gz ZWGBKKZCBFVHMM-CJNGLKHVSA-N 2 1 278.465 3.227 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C[C@H]1CCO[C@H](CC)C1)[NH+](C)C ZINC001199170179 811562219 /nfs/dbraw/zinc/56/22/19/811562219.db2.gz BYBIUGHSQJBZMP-USXIJHARSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@H](C[NH2+]CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001199266376 811568058 /nfs/dbraw/zinc/56/80/58/811568058.db2.gz JEASWDSANONOFA-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[NH2+]CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001199266376 811568063 /nfs/dbraw/zinc/56/80/63/811568063.db2.gz JEASWDSANONOFA-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001199275787 811568164 /nfs/dbraw/zinc/56/81/64/811568164.db2.gz NBCDYQPOJHCASP-RDJZCZTQSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001199924222 811613698 /nfs/dbraw/zinc/61/36/98/811613698.db2.gz DFCGJMGOJWIXDW-KGLIPLIRSA-N 2 1 261.413 3.064 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001201483128 811858168 /nfs/dbraw/zinc/85/81/68/811858168.db2.gz VWGYORMQEBOLFK-OAHLLOKOSA-N 2 1 252.446 3.395 20 0 CGADMP Cn1c2ccccc2[nH+]c1Nc1cccc(C[NH+](C)C)c1 ZINC001201389206 811824566 /nfs/dbraw/zinc/82/45/66/811824566.db2.gz CYPWIQMHEBILIS-UHFFFAOYSA-N 2 1 280.375 3.379 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)C1CCN(C)CC1 ZINC001201483128 811858148 /nfs/dbraw/zinc/85/81/48/811858148.db2.gz VWGYORMQEBOLFK-OAHLLOKOSA-N 2 1 252.446 3.395 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001201483128 811858160 /nfs/dbraw/zinc/85/81/60/811858160.db2.gz VWGYORMQEBOLFK-OAHLLOKOSA-N 2 1 252.446 3.395 20 0 CGADMP FC(F)(F)CC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001202349202 812069336 /nfs/dbraw/zinc/06/93/36/812069336.db2.gz YTEWACZYSWDFFA-CYBMUJFWSA-N 2 1 278.362 3.279 20 0 CGADMP FC(F)(F)CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001202349202 812069347 /nfs/dbraw/zinc/06/93/47/812069347.db2.gz YTEWACZYSWDFFA-CYBMUJFWSA-N 2 1 278.362 3.279 20 0 CGADMP CCC1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC001202789450 812174641 /nfs/dbraw/zinc/17/46/41/812174641.db2.gz IFNCQMIDSSXZPI-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CCC1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC001202789450 812174647 /nfs/dbraw/zinc/17/46/47/812174647.db2.gz IFNCQMIDSSXZPI-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)[NH+](C)C ZINC001203269795 812285679 /nfs/dbraw/zinc/28/56/79/812285679.db2.gz DHILZBJURLXGLP-AWEZNQCLSA-N 2 1 290.451 3.220 20 0 CGADMP Cc1c[nH+]c(Nc2ccc(C[NH+]3CCCC3)cc2)c(N)c1 ZINC001203773541 812460034 /nfs/dbraw/zinc/46/00/34/812460034.db2.gz NBVKUEXUEJGMED-UHFFFAOYSA-N 2 1 282.391 3.312 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001204103487 812549411 /nfs/dbraw/zinc/54/94/11/812549411.db2.gz JMWCGZOQPKDSLN-LLVKDONJSA-N 2 1 288.357 3.314 20 0 CGADMP C[C@@H]1CCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204265348 812592217 /nfs/dbraw/zinc/59/22/17/812592217.db2.gz FNRTUCOIGFCDLN-OAHLLOKOSA-N 2 1 276.424 3.001 20 0 CGADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)oc1C ZINC001204534645 812669606 /nfs/dbraw/zinc/66/96/06/812669606.db2.gz LIQSBWNGDWZCOE-UHFFFAOYSA-N 2 1 278.440 3.449 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204735222 812720066 /nfs/dbraw/zinc/72/00/66/812720066.db2.gz OUUWXOYIFPXLRM-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001204877463 812760091 /nfs/dbraw/zinc/76/00/91/812760091.db2.gz JTVXNSPHMXFODE-LJQANCHMSA-N 2 1 297.446 3.412 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)cc(SC)c2)C1 ZINC001205016851 812827210 /nfs/dbraw/zinc/82/72/10/812827210.db2.gz LENNSVTZTWCUDY-CQSZACIVSA-N 2 1 278.465 3.148 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)cc(SC)c2)C1 ZINC001205016851 812827218 /nfs/dbraw/zinc/82/72/18/812827218.db2.gz LENNSVTZTWCUDY-CQSZACIVSA-N 2 1 278.465 3.148 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001205068174 812846568 /nfs/dbraw/zinc/84/65/68/812846568.db2.gz FCCBWQRGIBTVHR-YOEHRIQHSA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001205068174 812846575 /nfs/dbraw/zinc/84/65/75/812846575.db2.gz FCCBWQRGIBTVHR-YOEHRIQHSA-N 2 1 281.403 3.060 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001205088350 812854874 /nfs/dbraw/zinc/85/48/74/812854874.db2.gz OLWXLIPNGZFROB-BMFZPTHFSA-N 2 1 278.827 3.257 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC001205094731 812860090 /nfs/dbraw/zinc/86/00/90/812860090.db2.gz OWCCCRXTORJFKF-MRXNPFEDSA-N 2 1 254.377 3.153 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(Br)c1 ZINC001205102651 812867154 /nfs/dbraw/zinc/86/71/54/812867154.db2.gz VFUFSTPQATWRRI-CYBMUJFWSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(Br)c1 ZINC001205102651 812867165 /nfs/dbraw/zinc/86/71/65/812867165.db2.gz VFUFSTPQATWRRI-CYBMUJFWSA-N 2 1 297.240 3.071 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(Cl)c1 ZINC001205124664 812877714 /nfs/dbraw/zinc/87/77/14/812877714.db2.gz XLKMGBBPSPWZAC-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(Cl)c1 ZINC001205124664 812877721 /nfs/dbraw/zinc/87/77/21/812877721.db2.gz XLKMGBBPSPWZAC-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001205190485 812903248 /nfs/dbraw/zinc/90/32/48/812903248.db2.gz QDOUXTQVZYZQMX-FZKQIMNGSA-N 2 1 284.378 3.414 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001205190485 812903254 /nfs/dbraw/zinc/90/32/54/812903254.db2.gz QDOUXTQVZYZQMX-FZKQIMNGSA-N 2 1 284.378 3.414 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCc2cccc(Cl)c2)CC1 ZINC001205256913 812919288 /nfs/dbraw/zinc/91/92/88/812919288.db2.gz SHMDNKXZCXWRIT-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205266385 812921433 /nfs/dbraw/zinc/92/14/33/812921433.db2.gz UFFOYBIHQDGHJF-HNNXBMFYSA-N 2 1 264.438 3.112 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC001205296335 812937487 /nfs/dbraw/zinc/93/74/87/812937487.db2.gz MOUUCOKCASQTGO-ZFWWWQNUSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C[C@@H]1C[NH3+] ZINC001205303570 812941742 /nfs/dbraw/zinc/94/17/42/812941742.db2.gz IAWXEUUWLGHXCM-YPMHNXCESA-N 2 1 291.826 3.238 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205315380 812947768 /nfs/dbraw/zinc/94/77/68/812947768.db2.gz FLUNRIHYVLRWIK-SWLSCSKDSA-N 2 1 280.843 3.374 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OC(C)(C)C)C[C@H]1C[NH3+] ZINC001205314909 812948412 /nfs/dbraw/zinc/94/84/12/812948412.db2.gz DOGZRGYMXHJHTK-GDBMZVCRSA-N 2 1 290.451 3.281 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205316494 812949658 /nfs/dbraw/zinc/94/96/58/812949658.db2.gz KBWVMLAMPOKXNT-WMLDXEAASA-N 2 1 260.425 3.227 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205317975 812950267 /nfs/dbraw/zinc/95/02/67/812950267.db2.gz RDMKWKLYYDBTPH-UKRRQHHQSA-N 2 1 294.414 3.031 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205317975 812950272 /nfs/dbraw/zinc/95/02/72/812950272.db2.gz RDMKWKLYYDBTPH-UKRRQHHQSA-N 2 1 294.414 3.031 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCC2CCCCC2)CC1 ZINC001205537550 812997281 /nfs/dbraw/zinc/99/72/81/812997281.db2.gz IESHBPBPZHPWIX-INIZCTEOSA-N 2 1 270.436 3.500 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@](F)(C[NH3+])CC2)o1 ZINC001205545647 812999097 /nfs/dbraw/zinc/99/90/97/812999097.db2.gz LDBRTWBFINAZFI-BBRMVZONSA-N 2 1 282.403 3.235 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)CC[C@H]1C[NH3+] ZINC001205602222 813017292 /nfs/dbraw/zinc/01/72/92/813017292.db2.gz HTCKYODKOCDENL-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205601350 813017766 /nfs/dbraw/zinc/01/77/66/813017766.db2.gz DQTXVKSQJHRGAR-WMLDXEAASA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)CC[C@@H]1C[NH3+] ZINC001205603354 813019313 /nfs/dbraw/zinc/01/93/13/813019313.db2.gz OLQDFEUFCYSFRY-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1C ZINC001205604296 813019479 /nfs/dbraw/zinc/01/94/79/813019479.db2.gz USPMEDACYWLLAZ-CJNGLKHVSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205603330 813019726 /nfs/dbraw/zinc/01/97/26/813019726.db2.gz OCTJEYISFDOUKT-UKRRQHHQSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205618584 813027944 /nfs/dbraw/zinc/02/79/44/813027944.db2.gz XIJBBVWKYNKEJO-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205618512 813028773 /nfs/dbraw/zinc/02/87/73/813028773.db2.gz WSESOFOKIHAQCF-WCQYABFASA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3cn2)CC[C@H]1C[NH3+] ZINC001205625607 813031560 /nfs/dbraw/zinc/03/15/60/813031560.db2.gz BUEPYGOESHUDHM-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3cccnc3s2)CC[C@H]1C[NH3+] ZINC001205639329 813038909 /nfs/dbraw/zinc/03/89/09/813038909.db2.gz YYWQWQPRMOUSLX-JSGCOSHPSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3cccnc3s2)CC[C@@H]1C[NH3+] ZINC001205639331 813039280 /nfs/dbraw/zinc/03/92/80/813039280.db2.gz YYWQWQPRMOUSLX-TZMCWYRMSA-N 2 1 289.448 3.103 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001205661868 813046286 /nfs/dbraw/zinc/04/62/86/813046286.db2.gz KKEKPDICCTXDLJ-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H](C)CC(C)C ZINC001205677667 813049613 /nfs/dbraw/zinc/04/96/13/813049613.db2.gz FKIMLESNXHIETC-QZTJIDSGSA-N 2 1 297.531 3.017 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205734637 813064028 /nfs/dbraw/zinc/06/40/28/813064028.db2.gz GBYZWJMFTQTQDC-KGLIPLIRSA-N 2 1 274.399 3.285 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCCc2ccccc2)CCC1(F)F ZINC001205761734 813069265 /nfs/dbraw/zinc/06/92/65/813069265.db2.gz JFLRYNBWRUDXME-MRXNPFEDSA-N 2 1 296.405 3.315 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc3ccccc32)C1 ZINC001205803116 813083712 /nfs/dbraw/zinc/08/37/12/813083712.db2.gz FHJZEVVHCJUJQJ-WMLDXEAASA-N 2 1 268.404 3.399 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc3ccccc32)C1 ZINC001205803116 813083721 /nfs/dbraw/zinc/08/37/21/813083721.db2.gz FHJZEVVHCJUJQJ-WMLDXEAASA-N 2 1 268.404 3.399 20 0 CGADMP Cc1cccnc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001205807479 813088950 /nfs/dbraw/zinc/08/89/50/813088950.db2.gz NLKVZFQJQIQEHG-IRXDYDNUSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccnc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001205807479 813088959 /nfs/dbraw/zinc/08/89/59/813088959.db2.gz NLKVZFQJQIQEHG-IRXDYDNUSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccnc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001205807479 813088971 /nfs/dbraw/zinc/08/89/71/813088971.db2.gz NLKVZFQJQIQEHG-IRXDYDNUSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205872720 813116514 /nfs/dbraw/zinc/11/65/14/813116514.db2.gz QLDHHMSSOZLUMZ-KDOFPFPSSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205872720 813116517 /nfs/dbraw/zinc/11/65/17/813116517.db2.gz QLDHHMSSOZLUMZ-KDOFPFPSSA-N 2 1 268.404 3.317 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC001205901103 813122595 /nfs/dbraw/zinc/12/25/95/813122595.db2.gz BHCBFTWRROSRRU-RDTXWAMCSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001205904289 813126840 /nfs/dbraw/zinc/12/68/40/813126840.db2.gz UHVKNGUKWRPRJM-GUYCJALGSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001205912727 813129445 /nfs/dbraw/zinc/12/94/45/813129445.db2.gz BVOFHWBQLAHPPZ-GDBMZVCRSA-N 2 1 268.404 3.351 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205916221 813133335 /nfs/dbraw/zinc/13/33/35/813133335.db2.gz TVYRAOJRQHBKQM-HZPDHXFCSA-N 2 1 290.451 3.341 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)CC1(F)CC[NH2+]CC1 ZINC001205923936 813135836 /nfs/dbraw/zinc/13/58/36/813135836.db2.gz QNKJFROKSCAEIP-UHFFFAOYSA-N 2 1 278.415 3.236 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205932991 813139098 /nfs/dbraw/zinc/13/90/98/813139098.db2.gz VCKDGNFTAGUELW-KRWDZBQOSA-N 2 1 260.425 3.342 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205932991 813139100 /nfs/dbraw/zinc/13/91/00/813139100.db2.gz VCKDGNFTAGUELW-KRWDZBQOSA-N 2 1 260.425 3.342 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[C@@H]1C[NH3+] ZINC001205996146 813157136 /nfs/dbraw/zinc/15/71/36/813157136.db2.gz VELZCUFUYRUVJW-TZMCWYRMSA-N 2 1 266.816 3.147 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206004800 813162041 /nfs/dbraw/zinc/16/20/41/813162041.db2.gz VPFCYLDVLZMGEN-DGCLKSJQSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2-n2cccc2)CCC[C@@H]1C[NH3+] ZINC001206013709 813165156 /nfs/dbraw/zinc/16/51/56/813165156.db2.gz TXHMMTDOIUDYNL-DLBZAZTESA-N 2 1 297.446 3.284 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccnc(C(C)(C)C)c2)CCC[C@@H]1C[NH3+] ZINC001206014057 813166424 /nfs/dbraw/zinc/16/64/24/813166424.db2.gz VUOXCYIXKYMOKB-GDBMZVCRSA-N 2 1 289.467 3.186 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1F ZINC001206026219 813170113 /nfs/dbraw/zinc/17/01/13/813170113.db2.gz QYGMMYJUKHZYPH-DZGCQCFKSA-N 2 1 294.414 3.031 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)C1(C)C ZINC001206036683 813175623 /nfs/dbraw/zinc/17/56/23/813175623.db2.gz NQYKWXPFUVBHNK-BPLDGKMQSA-N 2 1 250.430 3.038 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206053012 813183274 /nfs/dbraw/zinc/18/32/74/813183274.db2.gz DWHZUMLXEFGNSF-HDMKZQKVSA-N 2 1 274.452 3.268 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@H]1[NH3+] ZINC001206065078 813188311 /nfs/dbraw/zinc/18/83/11/813188311.db2.gz LDBCRKHUQCSHDZ-FZKQIMNGSA-N 2 1 284.378 3.272 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@H]1[NH3+] ZINC001206065078 813188315 /nfs/dbraw/zinc/18/83/15/813188315.db2.gz LDBCRKHUQCSHDZ-FZKQIMNGSA-N 2 1 284.378 3.272 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1F ZINC001206163669 813220550 /nfs/dbraw/zinc/22/05/50/813220550.db2.gz DPVQBJRYKXWLTK-ZIAGYGMSSA-N 2 1 278.396 3.163 20 0 CGADMP COc1ccc(CCC[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206294021 813275255 /nfs/dbraw/zinc/27/52/55/813275255.db2.gz IOSYBJZSGLLRJL-GOSISDBHSA-N 2 1 290.451 3.079 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295295 813276299 /nfs/dbraw/zinc/27/62/99/813276299.db2.gz MDDKSGPHAMFAPL-WMZOPIPTSA-N 2 1 298.515 3.405 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001206304675 813282171 /nfs/dbraw/zinc/28/21/71/813282171.db2.gz NWABCAOEMPNCSI-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311895 813284323 /nfs/dbraw/zinc/28/43/23/813284323.db2.gz WNJWERAPXOMGRA-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206318081 813287354 /nfs/dbraw/zinc/28/73/54/813287354.db2.gz MDEDVTCFCOANNH-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206342736 813296341 /nfs/dbraw/zinc/29/63/41/813296341.db2.gz BAYWHSGMRKCRLD-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206342736 813296344 /nfs/dbraw/zinc/29/63/44/813296344.db2.gz BAYWHSGMRKCRLD-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc3occc32)C1 ZINC001206370674 813305519 /nfs/dbraw/zinc/30/55/19/813305519.db2.gz OSLLHTROGHROJX-INIZCTEOSA-N 2 1 276.355 3.086 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc3occc32)C1 ZINC001206370674 813305529 /nfs/dbraw/zinc/30/55/29/813305529.db2.gz OSLLHTROGHROJX-INIZCTEOSA-N 2 1 276.355 3.086 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc2c1 ZINC001206547739 813346586 /nfs/dbraw/zinc/34/65/86/813346586.db2.gz FUIOMOGHNKAYBF-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC001206556065 813351570 /nfs/dbraw/zinc/35/15/70/813351570.db2.gz MVOCTHKXMQVVGX-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206583435 813364231 /nfs/dbraw/zinc/36/42/31/813364231.db2.gz URTDKXXSSATTPO-KRWDZBQOSA-N 2 1 260.425 3.348 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606344 813372461 /nfs/dbraw/zinc/37/24/61/813372461.db2.gz LJJARFOIODCCTJ-JKSUJKDBSA-N 2 1 284.488 3.015 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cs1 ZINC001206606133 813372638 /nfs/dbraw/zinc/37/26/38/813372638.db2.gz FGGTYNUESFFQAO-HNNXBMFYSA-N 2 1 266.454 3.409 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCCC[C@H](C[NH3+])C2)C1(C)C ZINC001206606245 813372747 /nfs/dbraw/zinc/37/27/47/813372747.db2.gz IBKZYNURLBKXOQ-CVEARBPZSA-N 2 1 264.457 3.430 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC001206606134 813373141 /nfs/dbraw/zinc/37/31/41/813373141.db2.gz FGGTYNUESFFQAO-OAHLLOKOSA-N 2 1 266.454 3.409 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001206615986 813375496 /nfs/dbraw/zinc/37/54/96/813375496.db2.gz LGRZLVXPAWQJPE-GFCCVEGCSA-N 2 1 291.826 3.382 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206616963 813376153 /nfs/dbraw/zinc/37/61/53/813376153.db2.gz VJTAFFDMQYARAE-HNNXBMFYSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640854 813383206 /nfs/dbraw/zinc/38/32/06/813383206.db2.gz OBUBFPITPLIWGD-AWEZNQCLSA-N 2 1 264.388 3.003 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001206640871 813383260 /nfs/dbraw/zinc/38/32/60/813383260.db2.gz OHHFTHLNBUUBDS-MRXNPFEDSA-N 2 1 295.430 3.309 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206641515 813383620 /nfs/dbraw/zinc/38/36/20/813383620.db2.gz YKIYUFPJODBVIG-INIZCTEOSA-N 2 1 290.451 3.425 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001206641053 813383803 /nfs/dbraw/zinc/38/38/03/813383803.db2.gz RVPCWIUWQCLPHX-CYBMUJFWSA-N 2 1 274.433 3.462 20 0 CGADMP Cc1cc(Nc2c[nH+]c(N(C)C)cc2C)c2ccccc2[nH+]1 ZINC001206708102 813403968 /nfs/dbraw/zinc/40/39/68/813403968.db2.gz HYFHXBIHXOUUHA-UHFFFAOYSA-N 2 1 292.386 3.478 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccccc1C[NH+](C)C ZINC001206748214 813418355 /nfs/dbraw/zinc/41/83/55/813418355.db2.gz FBTDHNWJDZJRLU-UHFFFAOYSA-N 2 1 284.407 3.261 20 0 CGADMP CCCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206767374 813428748 /nfs/dbraw/zinc/42/87/48/813428748.db2.gz ABDGKSSDVRJDMD-NVXWUHKLSA-N 2 1 290.451 3.425 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206768977 813432553 /nfs/dbraw/zinc/43/25/53/813432553.db2.gz MEUKRSFGYIOQLC-PBHICJAKSA-N 2 1 260.425 3.198 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206771833 813433970 /nfs/dbraw/zinc/43/39/70/813433970.db2.gz YDXVTKQBAWNORN-HOTGVXAUSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206806550 813441678 /nfs/dbraw/zinc/44/16/78/813441678.db2.gz GOAYUNBZLMFEEK-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc2ccsc2c1 ZINC001206806598 813441737 /nfs/dbraw/zinc/44/17/37/813441737.db2.gz GVHUCYFHBLFGDN-JSGCOSHPSA-N 2 1 274.433 3.461 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001207399162 813556525 /nfs/dbraw/zinc/55/65/25/813556525.db2.gz FELGEYGWDBVJRI-UHFFFAOYSA-N 2 1 274.452 3.281 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001207398839 813557420 /nfs/dbraw/zinc/55/74/20/813557420.db2.gz PWGGNKLXJAIOOJ-MRXNPFEDSA-N 2 1 292.854 3.471 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]21 ZINC001207615075 813614667 /nfs/dbraw/zinc/61/46/67/813614667.db2.gz MZOCRGVFKJCIFJ-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001207862035 813663757 /nfs/dbraw/zinc/66/37/57/813663757.db2.gz PHPLWCZTJHJRTQ-QGZVFWFLSA-N 3 1 297.531 3.207 20 0 CGADMP C[N@@H+](CC1CCCCC1)CC1(C)CC[NH+](C)CC1 ZINC001208109762 813694501 /nfs/dbraw/zinc/69/45/01/813694501.db2.gz QWHOWCFGKGHLTO-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001208170950 813724454 /nfs/dbraw/zinc/72/44/54/813724454.db2.gz VGOQONONVOHNID-CVEARBPZSA-N 2 1 262.441 3.149 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC(F)(F)C(C)(C)C2)CCCC1 ZINC001208184517 813735016 /nfs/dbraw/zinc/73/50/16/813735016.db2.gz LYCYSEDCVPSEHC-UHFFFAOYSA-N 2 1 288.426 3.476 20 0 CGADMP CC[N@H+](Cc1ccccc1)CC1CC[NH+](CC)CC1 ZINC001208593746 813769392 /nfs/dbraw/zinc/76/93/92/813769392.db2.gz IQIFPPMRNJFFLC-UHFFFAOYSA-N 2 1 260.425 3.240 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC001208602137 813770747 /nfs/dbraw/zinc/77/07/47/813770747.db2.gz YWKVSFSBCOMJAE-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001208597681 813771702 /nfs/dbraw/zinc/77/17/02/813771702.db2.gz KSKBNPHGGBMFJS-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001208608582 813772743 /nfs/dbraw/zinc/77/27/43/813772743.db2.gz QQNYYVWAOASLDE-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001208608582 813772750 /nfs/dbraw/zinc/77/27/50/813772750.db2.gz QQNYYVWAOASLDE-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001208608582 813772756 /nfs/dbraw/zinc/77/27/56/813772756.db2.gz QQNYYVWAOASLDE-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP C1=CO[C@@H](C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001208881032 813878847 /nfs/dbraw/zinc/87/88/47/813878847.db2.gz TXTVXLRAEDWKJW-DLBZAZTESA-N 2 1 278.440 3.020 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208946296 813906983 /nfs/dbraw/zinc/90/69/83/813906983.db2.gz GDNYCRBHEYVWJA-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208946296 813906991 /nfs/dbraw/zinc/90/69/91/813906991.db2.gz GDNYCRBHEYVWJA-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208946296 813906999 /nfs/dbraw/zinc/90/69/99/813906999.db2.gz GDNYCRBHEYVWJA-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957876 813909977 /nfs/dbraw/zinc/90/99/77/813909977.db2.gz MMFRMTKUOCTMSL-WMZOPIPTSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957876 813909983 /nfs/dbraw/zinc/90/99/83/813909983.db2.gz MMFRMTKUOCTMSL-WMZOPIPTSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957876 813909986 /nfs/dbraw/zinc/90/99/86/813909986.db2.gz MMFRMTKUOCTMSL-WMZOPIPTSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957876 813909992 /nfs/dbraw/zinc/90/99/92/813909992.db2.gz MMFRMTKUOCTMSL-WMZOPIPTSA-N 2 1 284.447 3.383 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001210400843 814445923 /nfs/dbraw/zinc/44/59/23/814445923.db2.gz URQFQQVTUVIKQJ-ROUUACIJSA-N 2 1 292.467 3.119 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001210400843 814445932 /nfs/dbraw/zinc/44/59/32/814445932.db2.gz URQFQQVTUVIKQJ-ROUUACIJSA-N 2 1 292.467 3.119 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476682 814479367 /nfs/dbraw/zinc/47/93/67/814479367.db2.gz XMAFDLDKLUWNLA-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC001210475382 814479693 /nfs/dbraw/zinc/47/96/93/814479693.db2.gz MPGHKXUHGFIAJL-XPKDYRNWSA-N 2 1 278.827 3.127 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154913 816362862 /nfs/dbraw/zinc/36/28/62/816362862.db2.gz SQLIJCRHAXJRDX-KRWDZBQOSA-N 2 1 276.399 3.018 20 0 CGADMP Cc1cnsc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222168286 816367435 /nfs/dbraw/zinc/36/74/35/816367435.db2.gz ZOGFDYWZDOJQDU-INIZCTEOSA-N 2 1 293.480 3.197 20 0 CGADMP Cc1cnsc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222168286 816367442 /nfs/dbraw/zinc/36/74/42/816367442.db2.gz ZOGFDYWZDOJQDU-INIZCTEOSA-N 2 1 293.480 3.197 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001222190670 816370020 /nfs/dbraw/zinc/37/00/20/816370020.db2.gz DVDWAJCLJORPKV-GOSISDBHSA-N 2 1 272.436 3.182 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001222190670 816370033 /nfs/dbraw/zinc/37/00/33/816370033.db2.gz DVDWAJCLJORPKV-GOSISDBHSA-N 2 1 272.436 3.182 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001222252214 816388199 /nfs/dbraw/zinc/38/81/99/816388199.db2.gz AOJGVVGMUQHDFA-IBGZPJMESA-N 2 1 299.462 3.005 20 0 CGADMP c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001222252214 816388207 /nfs/dbraw/zinc/38/82/07/816388207.db2.gz AOJGVVGMUQHDFA-IBGZPJMESA-N 2 1 299.462 3.005 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001222258933 816389768 /nfs/dbraw/zinc/38/97/68/816389768.db2.gz JDHAMLMTKYETIO-KSZLIROESA-N 2 1 276.468 3.444 20 0 CGADMP Cn1c(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc2ccccc21 ZINC001222264721 816390794 /nfs/dbraw/zinc/39/07/94/816390794.db2.gz HIHGRJPFYOJQEV-IBGZPJMESA-N 2 1 297.446 3.144 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc2ccccc21 ZINC001222264721 816390800 /nfs/dbraw/zinc/39/08/00/816390800.db2.gz HIHGRJPFYOJQEV-IBGZPJMESA-N 2 1 297.446 3.144 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222272331 816392484 /nfs/dbraw/zinc/39/24/84/816392484.db2.gz RGOSOUCSTSSCIU-GOSISDBHSA-N 2 1 272.436 3.215 20 0 CGADMP Fc1ccccc1CCC[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287631 816396787 /nfs/dbraw/zinc/39/67/87/816396787.db2.gz NYYWTGIUXKCKAF-UHFFFAOYSA-N 2 1 290.426 3.366 20 0 CGADMP c1cc2c(cc1C[NH+]1CCC3(CCCC[NH2+]3)CC1)NCCC2 ZINC001222297833 816400722 /nfs/dbraw/zinc/40/07/22/816400722.db2.gz LTTGHEBBOMOSOF-UHFFFAOYSA-N 2 1 299.462 3.153 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309209 816403941 /nfs/dbraw/zinc/40/39/41/816403941.db2.gz NVJWMANGLMIEJQ-QGZUEGPWSA-N 2 1 250.430 3.341 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1C ZINC001222310358 816404827 /nfs/dbraw/zinc/40/48/27/816404827.db2.gz UGXRHCBHOXHOLD-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1C ZINC001222315273 816405857 /nfs/dbraw/zinc/40/58/57/816405857.db2.gz MDVKSOIGEPYNBF-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP CC/C=C\CCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385160 816425606 /nfs/dbraw/zinc/42/56/06/816425606.db2.gz GWJHCNQXKSSTCD-QGZUEGPWSA-N 2 1 250.430 3.341 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385160 816425612 /nfs/dbraw/zinc/42/56/12/816425612.db2.gz GWJHCNQXKSSTCD-QGZUEGPWSA-N 2 1 250.430 3.341 20 0 CGADMP CCC(CC)C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595666 816475186 /nfs/dbraw/zinc/47/51/86/816475186.db2.gz GGPHJMFJIPVOCK-QGZVFWFLSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614156 816478844 /nfs/dbraw/zinc/47/88/44/816478844.db2.gz AWOUYWHQOFVOES-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001232012867 818233078 /nfs/dbraw/zinc/23/30/78/818233078.db2.gz VFHVUFDJJLWDKP-OLZOCXBDSA-N 2 1 255.365 3.185 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1 ZINC001232146575 818263852 /nfs/dbraw/zinc/26/38/52/818263852.db2.gz URLOAYMHVIMIKA-HNNXBMFYSA-N 2 1 278.415 3.365 20 0 CGADMP CC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232147613 818264104 /nfs/dbraw/zinc/26/41/04/818264104.db2.gz IYWUQBOFPMCCDT-GFCCVEGCSA-N 2 1 252.377 3.118 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cc(C)c(C)s2)CC1 ZINC001233700412 818685634 /nfs/dbraw/zinc/68/56/34/818685634.db2.gz MBELVLAWUWTLPM-UHFFFAOYSA-N 2 1 266.454 3.281 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cc(C)c(C)s2)CC1 ZINC001233700412 818685642 /nfs/dbraw/zinc/68/56/42/818685642.db2.gz MBELVLAWUWTLPM-UHFFFAOYSA-N 2 1 266.454 3.281 20 0 CGADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)c(OC)c1 ZINC001234067275 818771989 /nfs/dbraw/zinc/77/19/89/818771989.db2.gz QXEYWXFIOZCVOI-HNNXBMFYSA-N 2 1 285.391 3.255 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234979770 818970396 /nfs/dbraw/zinc/97/03/96/818970396.db2.gz RTLWZDUUPBPFPE-ZYSHUDEJSA-N 2 1 286.463 3.140 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2c(c1)CCCC2 ZINC001234998708 818973805 /nfs/dbraw/zinc/97/38/05/818973805.db2.gz JBRBOTLRZLHUTI-IBGZPJMESA-N 2 1 284.447 3.141 20 0 CGADMP c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235027217 818981854 /nfs/dbraw/zinc/98/18/54/818981854.db2.gz XRARXIHCZBHBJC-RBUKOAKNSA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235027217 818981859 /nfs/dbraw/zinc/98/18/59/818981859.db2.gz XRARXIHCZBHBJC-RBUKOAKNSA-N 2 1 278.399 3.147 20 0 CGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235034300 818984602 /nfs/dbraw/zinc/98/46/02/818984602.db2.gz WILVFGYVIFQYDV-IBGZPJMESA-N 2 1 296.414 3.034 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235034300 818984609 /nfs/dbraw/zinc/98/46/09/818984609.db2.gz WILVFGYVIFQYDV-IBGZPJMESA-N 2 1 296.414 3.034 20 0 CGADMP Clc1cccc2[nH]cc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)c21 ZINC001235033072 818984970 /nfs/dbraw/zinc/98/49/70/818984970.db2.gz OJJCWFMAPJMASF-MRXNPFEDSA-N 2 1 289.810 3.007 20 0 CGADMP Clc1cccc2[nH]cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c21 ZINC001235033072 818984974 /nfs/dbraw/zinc/98/49/74/818984974.db2.gz OJJCWFMAPJMASF-MRXNPFEDSA-N 2 1 289.810 3.007 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1C ZINC001235041793 818987937 /nfs/dbraw/zinc/98/79/37/818987937.db2.gz STJMTYVRGZBRKD-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235040525 818988672 /nfs/dbraw/zinc/98/86/72/818988672.db2.gz LJLKESOUROEULE-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042561 818989157 /nfs/dbraw/zinc/98/91/57/818989157.db2.gz XQBNCFDSKAVTLU-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP COc1cc(C)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235045731 818989651 /nfs/dbraw/zinc/98/96/51/818989651.db2.gz NCWAFVCCWNLJPA-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235102055 819002202 /nfs/dbraw/zinc/00/22/02/819002202.db2.gz KUNSXXIJMAVJLD-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235102055 819002208 /nfs/dbraw/zinc/00/22/08/819002208.db2.gz KUNSXXIJMAVJLD-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235109157 819005915 /nfs/dbraw/zinc/00/59/15/819005915.db2.gz GBZVNRDTLGHAAL-LJQANCHMSA-N 2 1 280.415 3.476 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235109157 819005917 /nfs/dbraw/zinc/00/59/17/819005917.db2.gz GBZVNRDTLGHAAL-LJQANCHMSA-N 2 1 280.415 3.476 20 0 CGADMP c1ccc(CCCC[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125162 819011499 /nfs/dbraw/zinc/01/14/99/819011499.db2.gz NPIKZAUDIBJQFE-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCC[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125162 819011501 /nfs/dbraw/zinc/01/15/01/819011501.db2.gz NPIKZAUDIBJQFE-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP CC1(C[N@H+]2CCCC[C@]23CC[NH2+]C3)CCCCC1 ZINC001235125276 819011576 /nfs/dbraw/zinc/01/15/76/819011576.db2.gz OLFXWWZCSJVYKV-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP Fc1cc(F)c(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c(F)c1 ZINC001235132628 819013502 /nfs/dbraw/zinc/01/35/02/819013502.db2.gz JULPHFUKJVXDRF-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP c1ccc2c(c1)CCC21CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC001235151977 819018529 /nfs/dbraw/zinc/01/85/29/819018529.db2.gz KWZFWXLBVVNUHC-KRWDZBQOSA-N 2 1 284.447 3.109 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)o1 ZINC001235160641 819020034 /nfs/dbraw/zinc/02/00/34/819020034.db2.gz YDMUMUMQGWRPCT-KRWDZBQOSA-N 2 1 276.424 3.196 20 0 CGADMP FC1(F)CCC(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001235174591 819024781 /nfs/dbraw/zinc/02/47/81/819024781.db2.gz UOSZNBDGJPJBCD-HNNXBMFYSA-N 2 1 286.410 3.420 20 0 CGADMP FC1(F)CCC(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001235174591 819024787 /nfs/dbraw/zinc/02/47/87/819024787.db2.gz UOSZNBDGJPJBCD-HNNXBMFYSA-N 2 1 286.410 3.420 20 0 CGADMP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209800 819037045 /nfs/dbraw/zinc/03/70/45/819037045.db2.gz QQWZAGWPBWTNIW-SRABZTEZSA-N 2 1 290.838 3.127 20 0 CGADMP Clc1ccc([C@H]2C[C@@H]2C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209800 819037050 /nfs/dbraw/zinc/03/70/50/819037050.db2.gz QQWZAGWPBWTNIW-SRABZTEZSA-N 2 1 290.838 3.127 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC001235253191 819049794 /nfs/dbraw/zinc/04/97/94/819049794.db2.gz CILZVDAIWTXDCS-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP Cc1ncc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)s1 ZINC001243381694 823382671 /nfs/dbraw/zinc/38/26/71/823382671.db2.gz SKSSCTVULJXNFC-UHFFFAOYSA-N 2 1 287.432 3.042 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)o1 ZINC001235266837 819058182 /nfs/dbraw/zinc/05/81/82/819058182.db2.gz GNKIAFBMFLJQLT-MSOLQXFVSA-N 2 1 296.414 3.439 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235270829 819059907 /nfs/dbraw/zinc/05/99/07/819059907.db2.gz NKVJXQQKEZVVLF-QZTJIDSGSA-N 2 1 270.420 3.138 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235276580 819061557 /nfs/dbraw/zinc/06/15/57/819061557.db2.gz ZOIMSDKTCPUFTK-NVXWUHKLSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235276580 819061560 /nfs/dbraw/zinc/06/15/60/819061560.db2.gz ZOIMSDKTCPUFTK-NVXWUHKLSA-N 2 1 288.435 3.048 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235340859 819071885 /nfs/dbraw/zinc/07/18/85/819071885.db2.gz MYCTXGAEEKKEMU-IBGZPJMESA-N 2 1 292.426 3.395 20 0 CGADMP CCCCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378451 819081441 /nfs/dbraw/zinc/08/14/41/819081441.db2.gz IKVWZVOFXKXMEJ-MSOLQXFVSA-N 2 1 272.436 3.256 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)o1 ZINC001235403614 819086014 /nfs/dbraw/zinc/08/60/14/819086014.db2.gz LJUFWLFFFDICGS-KBRIMQKVSA-N 2 1 294.414 3.105 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424804 819093235 /nfs/dbraw/zinc/09/32/35/819093235.db2.gz JWBYPJXLZLCNPF-IAGOWNOFSA-N 2 1 297.446 3.380 20 0 CGADMP c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422357 819093467 /nfs/dbraw/zinc/09/34/67/819093467.db2.gz BWOVACPJDBLLSU-JKSUJKDBSA-N 2 1 297.446 3.380 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428624 819094176 /nfs/dbraw/zinc/09/41/76/819094176.db2.gz OQULXRVFDIMFKY-IEBWSBKVSA-N 2 1 286.463 3.461 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC001235431227 819094187 /nfs/dbraw/zinc/09/41/87/819094187.db2.gz MUUMOXUEMMWWKD-CVEARBPZSA-N 2 1 278.465 3.268 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)CC2)cc1 ZINC001235427887 819094267 /nfs/dbraw/zinc/09/42/67/819094267.db2.gz UFNPQXGKPAFXLJ-QZTJIDSGSA-N 2 1 298.474 3.430 20 0 CGADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC001235429597 819094881 /nfs/dbraw/zinc/09/48/81/819094881.db2.gz ZFYMOJRWNRHCJT-SJORKVTESA-N 2 1 264.457 3.278 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427725 819095141 /nfs/dbraw/zinc/09/51/41/819095141.db2.gz SZPFVGDYBFZYGO-DSLCMKTCSA-N 2 1 264.457 3.444 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235427353 819095159 /nfs/dbraw/zinc/09/51/59/819095159.db2.gz QZZFZVKGMQJGBM-CABCVRRESA-N 2 1 276.424 3.054 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1CC ZINC001235433720 819095802 /nfs/dbraw/zinc/09/58/02/819095802.db2.gz NAEAIQUWOMCKQJ-UHFFFAOYSA-N 2 1 290.451 3.079 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433725 819096070 /nfs/dbraw/zinc/09/60/70/819096070.db2.gz NGYBSAXRISDOSU-UHFFFAOYSA-N 2 1 285.435 3.093 20 0 CGADMP Cn1c2ccccc2c2cc(C[N@@H+](C)CCC[NH3+])ccc21 ZINC001235435566 819097322 /nfs/dbraw/zinc/09/73/22/819097322.db2.gz PRXZIMNOWOSGBZ-UHFFFAOYSA-N 2 1 281.403 3.112 20 0 CGADMP CC(C)Oc1cc(C[N@@H+](C)CCC[NH3+])cc(OC(C)C)c1 ZINC001235446506 819100962 /nfs/dbraw/zinc/10/09/62/819100962.db2.gz YKRHUKGPGRJJCO-UHFFFAOYSA-N 2 1 294.439 3.042 20 0 CGADMP CO[C@@H]1CCC[C@@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235626284 819127810 /nfs/dbraw/zinc/12/78/10/819127810.db2.gz UJKYNJPEZYNLSY-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccccc1C[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001235661822 819132678 /nfs/dbraw/zinc/13/26/78/819132678.db2.gz PFAQWXSRFXYUIU-UHFFFAOYSA-N 2 1 272.436 3.207 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235675421 819135594 /nfs/dbraw/zinc/13/55/94/819135594.db2.gz XTLVGKKNKIFVPE-ZDUSSCGKSA-N 2 1 274.433 3.380 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001235676546 819136671 /nfs/dbraw/zinc/13/66/71/819136671.db2.gz SLXDSPQAPDCYRR-HNNXBMFYSA-N 2 1 258.409 3.125 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001235677989 819138556 /nfs/dbraw/zinc/13/85/56/819138556.db2.gz KMUMYUZABXLBSH-INIZCTEOSA-N 2 1 264.388 3.482 20 0 CGADMP c1ccc(O[C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235689852 819141248 /nfs/dbraw/zinc/14/12/48/819141248.db2.gz DFZUGVGCYJLYKY-WMZOPIPTSA-N 2 1 288.435 3.062 20 0 CGADMP Cc1ccc(O[C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)cc1 ZINC001235687482 819141316 /nfs/dbraw/zinc/14/13/16/819141316.db2.gz IHBOXXKSNNXPSE-GOSISDBHSA-N 2 1 290.451 3.357 20 0 CGADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC001235692523 819144330 /nfs/dbraw/zinc/14/43/30/819144330.db2.gz OULDFLBFGREGLO-QGZVFWFLSA-N 2 1 290.451 3.357 20 0 CGADMP COc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1Cl ZINC001235717371 819149915 /nfs/dbraw/zinc/14/99/15/819149915.db2.gz SDUJFZOQPMKTGS-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1cc(C)ccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235718069 819151981 /nfs/dbraw/zinc/15/19/81/819151981.db2.gz TYFAQYTUFVEWNR-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001235749109 819160122 /nfs/dbraw/zinc/16/01/22/819160122.db2.gz HIRKZYOMSFVRGM-WBVHZDCISA-N 2 1 274.452 3.269 20 0 CGADMP c1ccc([C@H]2CSCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235808354 819172434 /nfs/dbraw/zinc/17/24/34/819172434.db2.gz BGHQJOAAIHMXAP-DLBZAZTESA-N 2 1 290.476 3.309 20 0 CGADMP c1ccc([C@H]2CSCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235808354 819172436 /nfs/dbraw/zinc/17/24/36/819172436.db2.gz BGHQJOAAIHMXAP-DLBZAZTESA-N 2 1 290.476 3.309 20 0 CGADMP Cc1cccc(CC[N@H+](C)CC2CC3(C2)CC[NH2+]CC3)c1 ZINC001235839420 819181733 /nfs/dbraw/zinc/18/17/33/819181733.db2.gz RDOUXILHRQGMID-UHFFFAOYSA-N 2 1 286.463 3.249 20 0 CGADMP C[N@H+](CCc1ccc(Cl)cc1)CC[C@H]1CCC[NH2+]C1 ZINC001235839852 819182311 /nfs/dbraw/zinc/18/23/11/819182311.db2.gz ASUDOVVMPGJXCS-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235840878 819182350 /nfs/dbraw/zinc/18/23/50/819182350.db2.gz CHPAQGYZYLUXKU-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235840878 819182355 /nfs/dbraw/zinc/18/23/55/819182355.db2.gz CHPAQGYZYLUXKU-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCc1ccccc1Cl ZINC001235839191 819182565 /nfs/dbraw/zinc/18/25/65/819182565.db2.gz MDHKOHURGUFHOR-UHFFFAOYSA-N 2 1 268.832 3.333 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCCCOCc1ccccc1 ZINC001235894108 819203172 /nfs/dbraw/zinc/20/31/72/819203172.db2.gz ZXPWBSNXKNNTKW-SJLPKXTDSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCCCCOCc1ccccc1 ZINC001235894108 819203174 /nfs/dbraw/zinc/20/31/74/819203174.db2.gz ZXPWBSNXKNNTKW-SJLPKXTDSA-N 2 1 290.451 3.185 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]1CC[NH3+])c1ccccc1 ZINC001235924905 819223732 /nfs/dbraw/zinc/22/37/32/819223732.db2.gz BOVWBKDPLGNLRX-INIZCTEOSA-N 2 1 260.425 3.168 20 0 CGADMP CN(C)c1ccc2cc(C[N@H+]3CCC[C@H]3CC[NH3+])ccc2c1 ZINC001235925388 819224953 /nfs/dbraw/zinc/22/49/53/819224953.db2.gz KPEWRMQCBBVPRD-SFHVURJKSA-N 2 1 297.446 3.219 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235926266 819226086 /nfs/dbraw/zinc/22/60/86/819226086.db2.gz VSJAMKWOPNJYEY-HNNXBMFYSA-N 2 1 276.424 3.177 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235941027 819234785 /nfs/dbraw/zinc/23/47/85/819234785.db2.gz ULLQTBNLVVMSTI-KBPBESRZSA-N 2 1 286.444 3.251 20 0 CGADMP Fc1ccc([C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001235949320 819238886 /nfs/dbraw/zinc/23/88/86/819238886.db2.gz DSMHDZSIUDVIPF-MRXNPFEDSA-N 2 1 276.399 3.005 20 0 CGADMP [NH3+]Cc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC001235949259 819240399 /nfs/dbraw/zinc/24/03/99/819240399.db2.gz AWRAXIPKEAPWFV-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC001235949259 819240405 /nfs/dbraw/zinc/24/04/05/819240405.db2.gz AWRAXIPKEAPWFV-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP C[N@H+](Cc1c[nH]c2c1cccc2Cl)C[C@@H]1CCC[NH2+]C1 ZINC001235952006 819242149 /nfs/dbraw/zinc/24/21/49/819242149.db2.gz WWGOOXINWISOGL-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235956457 819243992 /nfs/dbraw/zinc/24/39/92/819243992.db2.gz DNMMQXKXXAMYHJ-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235958531 819245633 /nfs/dbraw/zinc/24/56/33/819245633.db2.gz HKPLVWSNPDCVAF-ALXJQNPVSA-N 2 1 288.435 3.035 20 0 CGADMP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235957425 819245904 /nfs/dbraw/zinc/24/59/04/819245904.db2.gz NTHWPCGOFBXRNY-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001235958518 819246109 /nfs/dbraw/zinc/24/61/09/819246109.db2.gz GUEXVKAYRFIRJZ-SSOQLKFYSA-N 2 1 290.838 3.113 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1csc3ccccc13)C2 ZINC001235960093 819246976 /nfs/dbraw/zinc/24/69/76/819246976.db2.gz OZIAZFZIDUSEDJ-DRXBFXEBSA-N 2 1 272.417 3.070 20 0 CGADMP CCC(CC)[N@@H+](CC)Cc1cc2c(s1)CC[NH2+]C2 ZINC001235962838 819251474 /nfs/dbraw/zinc/25/14/74/819251474.db2.gz OOZVLZUCMJWSEI-UHFFFAOYSA-N 2 1 266.454 3.404 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980957 819256767 /nfs/dbraw/zinc/25/67/67/819256767.db2.gz SOWSDAFNDRMSOP-ZFWWWQNUSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980957 819256772 /nfs/dbraw/zinc/25/67/72/819256772.db2.gz SOWSDAFNDRMSOP-ZFWWWQNUSA-N 2 1 298.352 3.061 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981854 819259058 /nfs/dbraw/zinc/25/90/58/819259058.db2.gz XUXDRFZTTIGSIU-HRCADAONSA-N 2 1 250.430 3.182 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001236009422 819273672 /nfs/dbraw/zinc/27/36/72/819273672.db2.gz YRASXYVLXHWCHL-INIZCTEOSA-N 2 1 285.435 3.235 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001236009422 819273675 /nfs/dbraw/zinc/27/36/75/819273675.db2.gz YRASXYVLXHWCHL-INIZCTEOSA-N 2 1 285.435 3.235 20 0 CGADMP CC[N@H+](Cc1ccc2cccccc1-2)[C@@H]1CCC[NH2+]C1 ZINC001236009329 819274464 /nfs/dbraw/zinc/27/44/64/819274464.db2.gz LSJQHPZZGYRASG-QGZVFWFLSA-N 2 1 268.404 3.365 20 0 CGADMP CC[N@@H+](Cc1ccc2cccccc1-2)[C@@H]1CCC[NH2+]C1 ZINC001236009329 819274469 /nfs/dbraw/zinc/27/44/69/819274469.db2.gz LSJQHPZZGYRASG-QGZVFWFLSA-N 2 1 268.404 3.365 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)s1 ZINC001236013126 819275394 /nfs/dbraw/zinc/27/53/94/819275394.db2.gz XVLBPZQZCXHCOV-AEFFLSMTSA-N 2 1 298.455 3.030 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236044835 819282063 /nfs/dbraw/zinc/28/20/63/819282063.db2.gz AMLITGNTVQYKBY-CJNGLKHVSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236047094 819285558 /nfs/dbraw/zinc/28/55/58/819285558.db2.gz KRGOIBFOMYZSEG-DGCLKSJQSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236047094 819285565 /nfs/dbraw/zinc/28/55/65/819285565.db2.gz KRGOIBFOMYZSEG-DGCLKSJQSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)c2ccccc12 ZINC001236051321 819287948 /nfs/dbraw/zinc/28/79/48/819287948.db2.gz VXQGTOOKLNMGMK-CJNGLKHVSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)c2ccccc12 ZINC001236051321 819287954 /nfs/dbraw/zinc/28/79/54/819287954.db2.gz VXQGTOOKLNMGMK-CJNGLKHVSA-N 2 1 268.404 3.317 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059328 819292438 /nfs/dbraw/zinc/29/24/38/819292438.db2.gz FEYYPQZWNMGXRB-JYJNAYRXSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059328 819292443 /nfs/dbraw/zinc/29/24/43/819292443.db2.gz FEYYPQZWNMGXRB-JYJNAYRXSA-N 2 1 250.430 3.053 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236066806 819298198 /nfs/dbraw/zinc/29/81/98/819298198.db2.gz KWNAAVMLMSYONF-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@@H+](Cc1cccs1)Cc1cc2c(s1)C[NH2+]CC2 ZINC001236088349 819309671 /nfs/dbraw/zinc/30/96/71/819309671.db2.gz FHDFZWVQMRFQPA-UHFFFAOYSA-N 2 1 292.473 3.477 20 0 CGADMP C[N@H+](CC[NH3+])CCC(c1ccccc1)c1ccccc1 ZINC001236092654 819310804 /nfs/dbraw/zinc/31/08/04/819310804.db2.gz OCYDNJALMDSXAM-UHFFFAOYSA-N 2 1 268.404 3.099 20 0 CGADMP C[N@@H+](CC[NH3+])CCC(c1ccccc1)c1ccccc1 ZINC001236092654 819310809 /nfs/dbraw/zinc/31/08/09/819310809.db2.gz OCYDNJALMDSXAM-UHFFFAOYSA-N 2 1 268.404 3.099 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001236151575 819347735 /nfs/dbraw/zinc/34/77/35/819347735.db2.gz AALOAIIFVQXBDC-AWEZNQCLSA-N 2 1 252.789 3.216 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1OCC)C1CC[NH2+]CC1 ZINC001236183085 819359817 /nfs/dbraw/zinc/35/98/17/819359817.db2.gz DKNPKVZDFXWYTK-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CCC1C[NH2+]C1 ZINC001236188799 819361571 /nfs/dbraw/zinc/36/15/71/819361571.db2.gz DMZAOWNYZUJVRZ-CQSZACIVSA-N 2 1 268.404 3.442 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc12 ZINC001236194677 819364767 /nfs/dbraw/zinc/36/47/67/819364767.db2.gz WLFLAOHLSZHALO-MRXNPFEDSA-N 2 1 257.381 3.044 20 0 CGADMP COc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC001236203458 819366438 /nfs/dbraw/zinc/36/64/38/819366438.db2.gz ZPDUVZQKBIUGAU-LJQANCHMSA-N 2 1 298.430 3.422 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC001236203458 819366442 /nfs/dbraw/zinc/36/64/42/819366442.db2.gz ZPDUVZQKBIUGAU-LJQANCHMSA-N 2 1 298.430 3.422 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c12 ZINC001236204953 819366940 /nfs/dbraw/zinc/36/69/40/819366940.db2.gz DMZYRLMGEFULMH-SFHVURJKSA-N 2 1 283.419 3.117 20 0 CGADMP Cc1ccnc2cccc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c12 ZINC001236204953 819366942 /nfs/dbraw/zinc/36/69/42/819366942.db2.gz DMZYRLMGEFULMH-SFHVURJKSA-N 2 1 283.419 3.117 20 0 CGADMP C[N@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214595 819375597 /nfs/dbraw/zinc/37/55/97/819375597.db2.gz GKUVAYQVGORPIK-HUUCEWRRSA-N 2 1 276.355 3.274 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214595 819375603 /nfs/dbraw/zinc/37/56/03/819375603.db2.gz GKUVAYQVGORPIK-HUUCEWRRSA-N 2 1 276.355 3.274 20 0 CGADMP CCc1cccc(C)c1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215187 819377540 /nfs/dbraw/zinc/37/75/40/819377540.db2.gz HMWGCCMTJSJEEN-IRXDYDNUSA-N 2 1 260.425 3.259 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215187 819377546 /nfs/dbraw/zinc/37/75/46/819377546.db2.gz HMWGCCMTJSJEEN-IRXDYDNUSA-N 2 1 260.425 3.259 20 0 CGADMP CC(C)COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236214825 819377883 /nfs/dbraw/zinc/37/78/83/819377883.db2.gz FNSLASCLVGUGIY-ZWKOTPCHSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236214825 819377888 /nfs/dbraw/zinc/37/78/88/819377888.db2.gz FNSLASCLVGUGIY-ZWKOTPCHSA-N 2 1 290.451 3.423 20 0 CGADMP C[N@H+](Cc1ccc2occc2c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217324 819382066 /nfs/dbraw/zinc/38/20/66/819382066.db2.gz NYHWGDAXASJJAL-GJZGRUSLSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1ccc2occc2c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217324 819382070 /nfs/dbraw/zinc/38/20/70/819382070.db2.gz NYHWGDAXASJJAL-GJZGRUSLSA-N 2 1 258.365 3.135 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236217589 819382103 /nfs/dbraw/zinc/38/21/03/819382103.db2.gz PJHCJEQKLLANHC-KBPBESRZSA-N 2 1 252.427 3.012 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236217589 819382111 /nfs/dbraw/zinc/38/21/11/819382111.db2.gz PJHCJEQKLLANHC-KBPBESRZSA-N 2 1 252.427 3.012 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217387 819382135 /nfs/dbraw/zinc/38/21/35/819382135.db2.gz OSVZZEDBUGALGT-MJGOQNOKSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217387 819382143 /nfs/dbraw/zinc/38/21/43/819382143.db2.gz OSVZZEDBUGALGT-MJGOQNOKSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@H+](Cc1cccc2c1CCCC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218791 819383704 /nfs/dbraw/zinc/38/37/04/819383704.db2.gz UCKVUILERKUHPO-QZTJIDSGSA-N 2 1 272.436 3.267 20 0 CGADMP C[N@@H+](Cc1cccc2c1CCCC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218791 819383709 /nfs/dbraw/zinc/38/37/09/819383709.db2.gz UCKVUILERKUHPO-QZTJIDSGSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236218353 819383857 /nfs/dbraw/zinc/38/38/57/819383857.db2.gz SHUCESRNCYUETQ-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236218353 819383862 /nfs/dbraw/zinc/38/38/62/819383862.db2.gz SHUCESRNCYUETQ-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(C)c1F ZINC001236220024 819385626 /nfs/dbraw/zinc/38/56/26/819385626.db2.gz YCUHKBUIXKYYLJ-GJZGRUSLSA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(C)c1F ZINC001236220024 819385634 /nfs/dbraw/zinc/38/56/34/819385634.db2.gz YCUHKBUIXKYYLJ-GJZGRUSLSA-N 2 1 264.388 3.144 20 0 CGADMP C[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219692 819385780 /nfs/dbraw/zinc/38/57/80/819385780.db2.gz XMTCTSUSZRINTN-RTBURBONSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219692 819385787 /nfs/dbraw/zinc/38/57/87/819385787.db2.gz XMTCTSUSZRINTN-RTBURBONSA-N 2 1 295.430 3.450 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236226394 819390611 /nfs/dbraw/zinc/39/06/11/819390611.db2.gz KTKYNBHBPWCTCA-UHFFFAOYSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236225680 819391689 /nfs/dbraw/zinc/39/16/89/819391689.db2.gz BHEVTNIZQHQLPL-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236225680 819391693 /nfs/dbraw/zinc/39/16/93/819391693.db2.gz BHEVTNIZQHQLPL-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236265690 819410072 /nfs/dbraw/zinc/41/00/72/819410072.db2.gz JYMQPTUNYMZQOM-WDNDVIMCSA-N 2 1 299.245 3.281 20 0 CGADMP CS[C@H](C)CC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287161 819413935 /nfs/dbraw/zinc/41/39/35/819413935.db2.gz POYGJMVPJDILAN-OAHLLOKOSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCCCCCCC1 ZINC001236308979 819418640 /nfs/dbraw/zinc/41/86/40/819418640.db2.gz YYKJFKFXSOKUTK-UONOGXRCSA-N 2 1 274.399 3.133 20 0 CGADMP CCc1cccc2c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c[nH]c21 ZINC001236317166 819422487 /nfs/dbraw/zinc/42/24/87/819422487.db2.gz UORXGSGTOXZHBS-IYBDPMFKSA-N 2 1 297.446 3.162 20 0 CGADMP CC(C)[N@@H+](CCCCCO)CCC[NH2+]C1CCCCC1 ZINC001236315641 819422523 /nfs/dbraw/zinc/42/25/23/819422523.db2.gz QVCVJYQCKCBTDR-UHFFFAOYSA-N 2 1 284.488 3.172 20 0 CGADMP CC[N@H+](Cc1cc(C)cc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236409565 819455734 /nfs/dbraw/zinc/45/57/34/819455734.db2.gz BRMJATYESXQCLT-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)cc1CC ZINC001236408045 819456433 /nfs/dbraw/zinc/45/64/33/819456433.db2.gz KIGDUJGQTLKRGR-INIZCTEOSA-N 2 1 290.451 3.079 20 0 CGADMP CC[N@H+](Cc1csc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236408855 819456763 /nfs/dbraw/zinc/45/67/63/819456763.db2.gz PMQDEFIGFNKPMH-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP CC[N@@H+](Cc1cccc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236410896 819457176 /nfs/dbraw/zinc/45/71/76/819457176.db2.gz LGIGDLFCKHWHSX-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1cccc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236410896 819457180 /nfs/dbraw/zinc/45/71/80/819457180.db2.gz LGIGDLFCKHWHSX-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccsc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413373 819458816 /nfs/dbraw/zinc/45/88/16/819458816.db2.gz OJOPJTSEVYAPCZ-FVQHAEBGSA-N 2 1 284.428 3.065 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccsc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413373 819458819 /nfs/dbraw/zinc/45/88/19/819458819.db2.gz OJOPJTSEVYAPCZ-FVQHAEBGSA-N 2 1 284.428 3.065 20 0 CGADMP CC[N@H+](Cc1cc(C)c(Cl)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236412377 819459033 /nfs/dbraw/zinc/45/90/33/819459033.db2.gz TWKMQLKPOKWLLG-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC001236429419 819474484 /nfs/dbraw/zinc/47/44/84/819474484.db2.gz UYXXKSQDNLDZJO-RDJZCZTQSA-N 2 1 258.409 3.050 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001236435705 819478025 /nfs/dbraw/zinc/47/80/25/819478025.db2.gz UXZQAPYKCGZZPD-RDTXWAMCSA-N 2 1 286.394 3.316 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001236435705 819478028 /nfs/dbraw/zinc/47/80/28/819478028.db2.gz UXZQAPYKCGZZPD-RDTXWAMCSA-N 2 1 286.394 3.316 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435071 819478703 /nfs/dbraw/zinc/47/87/03/819478703.db2.gz RFLBDOHBIIGXPZ-QGZVFWFLSA-N 2 1 272.367 3.021 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435071 819478706 /nfs/dbraw/zinc/47/87/06/819478706.db2.gz RFLBDOHBIIGXPZ-QGZVFWFLSA-N 2 1 272.367 3.021 20 0 CGADMP CC(C)C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499331 819504841 /nfs/dbraw/zinc/50/48/41/819504841.db2.gz MNKVRQWQGVVMOJ-UHFFFAOYSA-N 2 1 282.378 3.175 20 0 CGADMP CCCC[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503905 819507144 /nfs/dbraw/zinc/50/71/44/819507144.db2.gz GSEQCYABADYMAI-UHFFFAOYSA-N 2 1 282.378 3.319 20 0 CGADMP CCCC[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503905 819507147 /nfs/dbraw/zinc/50/71/47/819507147.db2.gz GSEQCYABADYMAI-UHFFFAOYSA-N 2 1 282.378 3.319 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](CC(C)C)C1CC[NH2+]CC1 ZINC001236516824 819511102 /nfs/dbraw/zinc/51/11/02/819511102.db2.gz IWJRWJDVIXJUJT-UHFFFAOYSA-N 2 1 278.415 3.344 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3c(c2)CCN3)CC2CC2)CC1 ZINC001236550399 819534228 /nfs/dbraw/zinc/53/42/28/819534228.db2.gz HWSPUHXDGALMBC-IYARVYRRSA-N 2 1 299.462 3.137 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001236604495 819549767 /nfs/dbraw/zinc/54/97/67/819549767.db2.gz HWCPYBLJHVVGEL-UHFFFAOYSA-N 2 1 284.447 3.133 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001236604326 819551147 /nfs/dbraw/zinc/55/11/47/819551147.db2.gz MFEOEEVEWRDVBM-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1cccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c1F ZINC001236634508 819556933 /nfs/dbraw/zinc/55/69/33/819556933.db2.gz UTSROKKQZZLQMR-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP Cc1cccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1F ZINC001236634508 819556937 /nfs/dbraw/zinc/55/69/37/819556937.db2.gz UTSROKKQZZLQMR-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236819975 819605951 /nfs/dbraw/zinc/60/59/51/819605951.db2.gz PCSKBXAJLVOXCX-LUKYLMHMSA-N 2 1 296.499 3.277 20 0 CGADMP CCC[N@@H+](CCCc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC001236830008 819611651 /nfs/dbraw/zinc/61/16/51/819611651.db2.gz MKSQPLMQMHDFPL-INIZCTEOSA-N 2 1 278.415 3.080 20 0 CGADMP CCC[N@H+](Cc1ccc(OC(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236836509 819616351 /nfs/dbraw/zinc/61/63/51/819616351.db2.gz WNDMJAVPAZGUDO-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(C)s1)C[C@@H]1CC[NH2+]C1 ZINC001236843226 819619173 /nfs/dbraw/zinc/61/91/73/819619173.db2.gz LTSJWUHKIFSFII-CQSZACIVSA-N 2 1 266.454 3.186 20 0 CGADMP CCC[N@H+](Cc1c(C)cccc1CC)C[C@@H]1CC[NH2+]C1 ZINC001236844171 819619981 /nfs/dbraw/zinc/61/99/81/819619981.db2.gz UNCLEDLSSPJBGF-MRXNPFEDSA-N 2 1 274.452 3.379 20 0 CGADMP CCC[N@H+](Cc1ccc(CC)s1)C[C@@H]1CC[NH2+]C1 ZINC001236844583 819620778 /nfs/dbraw/zinc/62/07/78/819620778.db2.gz WKCJVZIIMLDUCM-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236949282 819638340 /nfs/dbraw/zinc/63/83/40/819638340.db2.gz HHOASPANAAUSLZ-GOSISDBHSA-N 2 1 274.452 3.460 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@](C)(C[NH3+])C2)C1(C)C ZINC001237056254 819654263 /nfs/dbraw/zinc/65/42/63/819654263.db2.gz HRDFKISSIQOFOT-NVXWUHKLSA-N 2 1 264.457 3.430 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2cc(O)cc3ccccc32)CC1 ZINC001237075091 819660860 /nfs/dbraw/zinc/66/08/60/819660860.db2.gz VMAVZIWIJRCBNC-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP CC[NH+]1CCC(N(C)Cc2cc(O)cc3ccccc32)CC1 ZINC001237075091 819660863 /nfs/dbraw/zinc/66/08/63/819660863.db2.gz VMAVZIWIJRCBNC-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(O)cc3ccccc32)CC1 ZINC001237075091 819660865 /nfs/dbraw/zinc/66/08/65/819660865.db2.gz VMAVZIWIJRCBNC-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(O)cc3ccccc32)CC1 ZINC001237075091 819660869 /nfs/dbraw/zinc/66/08/69/819660869.db2.gz VMAVZIWIJRCBNC-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4cccccc3-4)C2)C1 ZINC001237193432 819695153 /nfs/dbraw/zinc/69/51/53/819695153.db2.gz OXYVDZOZLBKBFE-LJQANCHMSA-N 2 1 280.415 3.319 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4cccccc3-4)C2)C1 ZINC001237193432 819695157 /nfs/dbraw/zinc/69/51/57/819695157.db2.gz OXYVDZOZLBKBFE-LJQANCHMSA-N 2 1 280.415 3.319 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4cccccc3-4)C2)C1 ZINC001237193432 819695162 /nfs/dbraw/zinc/69/51/62/819695162.db2.gz OXYVDZOZLBKBFE-LJQANCHMSA-N 2 1 280.415 3.319 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203681 819698331 /nfs/dbraw/zinc/69/83/31/819698331.db2.gz KAMDJWVZXQBGFA-KFWWJZLASA-N 2 1 270.461 3.029 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203681 819698333 /nfs/dbraw/zinc/69/83/33/819698333.db2.gz KAMDJWVZXQBGFA-KFWWJZLASA-N 2 1 270.461 3.029 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CCc2ccccc21 ZINC001237258065 819709712 /nfs/dbraw/zinc/70/97/12/819709712.db2.gz KAZPDAJQPPVEHN-IBGZPJMESA-N 2 1 278.399 3.409 20 0 CGADMP Fc1ccc(C[C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001237246762 819711052 /nfs/dbraw/zinc/71/10/52/819711052.db2.gz CXVSCJATXWHEPU-QZTJIDSGSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266582 819712145 /nfs/dbraw/zinc/71/21/45/819712145.db2.gz XENPHOVFLYCWNC-UKRRQHHQSA-N 2 1 276.424 3.000 20 0 CGADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266582 819712151 /nfs/dbraw/zinc/71/21/51/819712151.db2.gz XENPHOVFLYCWNC-UKRRQHHQSA-N 2 1 276.424 3.000 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265081 819712518 /nfs/dbraw/zinc/71/25/18/819712518.db2.gz LRIKTKBSATUPCE-HOTGVXAUSA-N 2 1 290.451 3.391 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381802 819738069 /nfs/dbraw/zinc/73/80/69/819738069.db2.gz KDCRXOPCFFIEKQ-OALUTQOASA-N 2 1 286.463 3.426 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237391691 819741587 /nfs/dbraw/zinc/74/15/87/819741587.db2.gz LPXZJQSPIPXZCD-HOCLYGCPSA-N 2 1 286.444 3.475 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc21 ZINC001237388979 819741601 /nfs/dbraw/zinc/74/16/01/819741601.db2.gz FBAXCZALRJZZEB-ZWKOTPCHSA-N 2 1 297.446 3.235 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237394470 819742071 /nfs/dbraw/zinc/74/20/71/819742071.db2.gz VXGZRMPVLGYBGH-AEFFLSMTSA-N 2 1 270.420 3.138 20 0 CGADMP CC(C)c1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001237456749 819754109 /nfs/dbraw/zinc/75/41/09/819754109.db2.gz MNKXPLAVRVTEAW-UHFFFAOYSA-N 2 1 260.425 3.336 20 0 CGADMP CC(C)c1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001237456749 819754111 /nfs/dbraw/zinc/75/41/11/819754111.db2.gz MNKXPLAVRVTEAW-UHFFFAOYSA-N 2 1 260.425 3.336 20 0 CGADMP C[N@@H+](CCc1ccccc1F)Cc1cccc2c[nH+]cn21 ZINC001238109848 819935433 /nfs/dbraw/zinc/93/54/33/819935433.db2.gz LDNYBCUQBKQSAB-UHFFFAOYSA-N 2 1 283.350 3.148 20 0 CGADMP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(F)cc1Cl ZINC001238307550 819972623 /nfs/dbraw/zinc/97/26/23/819972623.db2.gz VMLWYZVTSKIUID-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(C2CC2)c(C)c1 ZINC001238632398 820067989 /nfs/dbraw/zinc/06/79/89/820067989.db2.gz SOLKJZDUHAYGGY-UHFFFAOYSA-N 2 1 289.467 3.431 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(C2CC2)c(C)c1 ZINC001238632398 820067999 /nfs/dbraw/zinc/06/79/99/820067999.db2.gz SOLKJZDUHAYGGY-UHFFFAOYSA-N 2 1 289.467 3.431 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)cc(SC)c1 ZINC001238681245 820081225 /nfs/dbraw/zinc/08/12/25/820081225.db2.gz HVAFETPKEMCHJC-UHFFFAOYSA-N 2 1 280.481 3.491 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(SC)c1 ZINC001238681245 820081234 /nfs/dbraw/zinc/08/12/34/820081234.db2.gz HVAFETPKEMCHJC-UHFFFAOYSA-N 2 1 280.481 3.491 20 0 CGADMP Cc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1C ZINC001239715673 820542037 /nfs/dbraw/zinc/54/20/37/820542037.db2.gz YAPNUCJMKDRBLR-UHFFFAOYSA-N 2 1 277.371 3.305 20 0 CGADMP CC[NH+](CC)Cc1cccc(C2=CC[N@@H+](C)CC2)c1 ZINC001241333424 821740883 /nfs/dbraw/zinc/74/08/83/821740883.db2.gz UKBAAANLTUAZCT-UHFFFAOYSA-N 2 1 258.409 3.247 20 0 CGADMP Nc1cc(-c2ccc(OCC[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC001241759521 822130406 /nfs/dbraw/zinc/13/04/06/822130406.db2.gz RRVHCLLUYCXEEV-UHFFFAOYSA-N 2 1 297.402 3.196 20 0 CGADMP C[C@H]([NH3+])c1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001241816793 822159720 /nfs/dbraw/zinc/15/97/20/822159720.db2.gz IJYJCLUTJZOTPO-HNNXBMFYSA-N 2 1 296.414 3.206 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC001242097829 822350502 /nfs/dbraw/zinc/35/05/02/822350502.db2.gz ADLRBOGRMCTUSR-UHFFFAOYSA-N 2 1 294.402 3.225 20 0 CGADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001349913276 936968532 /nfs/dbraw/zinc/96/85/32/936968532.db2.gz RQBBNLILURRBMZ-NUJGCVRESA-N 2 1 272.436 3.084 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cnc1F ZINC001352751091 937048177 /nfs/dbraw/zinc/04/81/77/937048177.db2.gz SDUGBXSZLBYANC-UHFFFAOYSA-N 2 1 291.414 3.026 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261961114 927207959 /nfs/dbraw/zinc/20/79/59/927207959.db2.gz PGPXCUKXWMTXHF-BXUZGUMPSA-N 2 1 286.341 3.183 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](c2ccccn2)C(C)C)CC1 ZINC000766082359 928047411 /nfs/dbraw/zinc/04/74/11/928047411.db2.gz RKZCQURCJXEANV-GOSISDBHSA-N 2 1 289.467 3.489 20 0 CGADMP COC1(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCCCCC1 ZINC001560933294 937238814 /nfs/dbraw/zinc/23/88/14/937238814.db2.gz JKLKAOMHXLHYTN-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC001473936349 937831204 /nfs/dbraw/zinc/83/12/04/937831204.db2.gz RTCYZLKVBDZUBP-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC001326218769 928565938 /nfs/dbraw/zinc/56/59/38/928565938.db2.gz NDEAGHWZESYQFY-ZNMIVQPWSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)C1 ZINC001460559489 937534442 /nfs/dbraw/zinc/53/44/42/937534442.db2.gz HYCSZRYKPHRVJV-BRSBDYLESA-N 2 1 278.484 3.476 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460625244 937536733 /nfs/dbraw/zinc/53/67/33/937536733.db2.gz FNYKTCMIBOOHDW-KRWDZBQOSA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460625247 937537129 /nfs/dbraw/zinc/53/71/29/937537129.db2.gz FNYKTCMIBOOHDW-QGZVFWFLSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2CCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001460708349 937540848 /nfs/dbraw/zinc/54/08/48/937540848.db2.gz KKRCHHFIDYDFAN-HNAYVOBHSA-N 2 1 293.414 3.280 20 0 CGADMP c1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218502 932006453 /nfs/dbraw/zinc/00/64/53/932006453.db2.gz CJPLEQGDAAATEI-IBGZPJMESA-N 2 1 295.430 3.113 20 0 CGADMP c1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218502 932006456 /nfs/dbraw/zinc/00/64/56/932006456.db2.gz CJPLEQGDAAATEI-IBGZPJMESA-N 2 1 295.430 3.113 20 0 CGADMP c1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218502 932006462 /nfs/dbraw/zinc/00/64/62/932006462.db2.gz CJPLEQGDAAATEI-IBGZPJMESA-N 2 1 295.430 3.113 20 0 CGADMP c1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218502 932006467 /nfs/dbraw/zinc/00/64/67/932006467.db2.gz CJPLEQGDAAATEI-IBGZPJMESA-N 2 1 295.430 3.113 20 0 CGADMP COc1ccc2cc[nH+]c(NCc3ccccc3C[NH3+])c2c1 ZINC000320221945 932035405 /nfs/dbraw/zinc/03/54/05/932035405.db2.gz FYSOUOUCDSMAPO-UHFFFAOYSA-N 2 1 293.370 3.314 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)cn1 ZINC001461072122 937561994 /nfs/dbraw/zinc/56/19/94/937561994.db2.gz PZMGDWQAFROZQP-GRDNDAEWSA-N 2 1 298.434 3.490 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001461261164 937572542 /nfs/dbraw/zinc/57/25/42/937572542.db2.gz WXIBSNWAHBTVSJ-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001461261164 937572543 /nfs/dbraw/zinc/57/25/43/937572543.db2.gz WXIBSNWAHBTVSJ-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](Oc2ccc(CC[NH+](C)C)cc2)C1 ZINC001229660801 932185526 /nfs/dbraw/zinc/18/55/26/932185526.db2.gz WRWPRSBFBVRUOH-SFHVURJKSA-N 2 1 290.451 3.042 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC(C)(C)CC2)CCCO1 ZINC001461429127 937580901 /nfs/dbraw/zinc/58/09/01/937580901.db2.gz XIBSYMBWQIJKOS-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC(C)(C)CC2)CCCO1 ZINC001461429127 937580904 /nfs/dbraw/zinc/58/09/04/937580904.db2.gz XIBSYMBWQIJKOS-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](CC[NH2+]Cc1cnc(C2CC2)s1)[NH+]1CCCCC1 ZINC001461434775 937581396 /nfs/dbraw/zinc/58/13/96/937581396.db2.gz YXBBJDJQPVUSCH-CYBMUJFWSA-N 2 1 293.480 3.375 20 0 CGADMP CCCOc1ccc(CN[C@H]2CC[N@H+](CCC)C2)c(C)c1 ZINC001461652306 937590611 /nfs/dbraw/zinc/59/06/11/937590611.db2.gz LPMPQGGLXQQGHV-KRWDZBQOSA-N 2 1 290.451 3.358 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](C)C[C@@H]34)oc2cc1C ZINC001461824927 937600091 /nfs/dbraw/zinc/60/00/91/937600091.db2.gz AIHPAWCKJISXLX-ZTFGCOKTSA-N 2 1 298.430 3.479 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@H+](C)C[C@@H]34)oc2cc1C ZINC001461824927 937600093 /nfs/dbraw/zinc/60/00/93/937600093.db2.gz AIHPAWCKJISXLX-ZTFGCOKTSA-N 2 1 298.430 3.479 20 0 CGADMP CC[NH+]1CCC(CNc2cccc(C3CC3)[nH+]2)CC1 ZINC001462270025 937628413 /nfs/dbraw/zinc/62/84/13/937628413.db2.gz UWGDDDHTRYQHBX-UHFFFAOYSA-N 2 1 259.397 3.103 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001462303129 937631404 /nfs/dbraw/zinc/63/14/04/937631404.db2.gz AXLBTKJZALZXEB-JJXSEGSLSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001462303129 937631407 /nfs/dbraw/zinc/63/14/07/937631407.db2.gz AXLBTKJZALZXEB-JJXSEGSLSA-N 2 1 252.446 3.133 20 0 CGADMP CN(CCC[N@@H+](C)C[C@@H]1CCCC(C)(C)C1)CC[NH+](C)C ZINC001462314773 937631667 /nfs/dbraw/zinc/63/16/67/937631667.db2.gz DQVWUDYQABVNBL-QGZVFWFLSA-N 2 1 297.531 3.018 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC001462333495 937632164 /nfs/dbraw/zinc/63/21/64/937632164.db2.gz IXTMUOGOMNOZNH-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC001462333495 937632168 /nfs/dbraw/zinc/63/21/68/937632168.db2.gz IXTMUOGOMNOZNH-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)CC1 ZINC001462371173 937636203 /nfs/dbraw/zinc/63/62/03/937636203.db2.gz BAMNSVFCIHUOSF-SJORKVTESA-N 2 1 278.484 3.476 20 0 CGADMP C1[C@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]12 ZINC001462440171 937641398 /nfs/dbraw/zinc/64/13/98/937641398.db2.gz MLCIWLSADJPASU-JHNDHUHGSA-N 2 1 262.441 3.172 20 0 CGADMP C1[C@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]12 ZINC001462440171 937641399 /nfs/dbraw/zinc/64/13/99/937641399.db2.gz MLCIWLSADJPASU-JHNDHUHGSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462442868 937641850 /nfs/dbraw/zinc/64/18/50/937641850.db2.gz QHCZJFSZTUWVLN-PVAVHDDUSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462442868 937641852 /nfs/dbraw/zinc/64/18/52/937641852.db2.gz QHCZJFSZTUWVLN-PVAVHDDUSA-N 2 1 264.457 3.418 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@H]2CC)CC1 ZINC001307421340 932949687 /nfs/dbraw/zinc/94/96/87/932949687.db2.gz SOANMQCGKJEJNK-SJORKVTESA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H](C[NH2+]CC(C)(C)c1ccccc1)[NH+]1CCCC1 ZINC001308194764 933070837 /nfs/dbraw/zinc/07/08/37/933070837.db2.gz NTCOFFQHRLLMOH-KRWDZBQOSA-N 2 1 274.452 3.428 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC001308223029 933075577 /nfs/dbraw/zinc/07/55/77/933075577.db2.gz PRLMZWKPYLKYJU-LUKYLMHMSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC001308223029 933075581 /nfs/dbraw/zinc/07/55/81/933075581.db2.gz PRLMZWKPYLKYJU-LUKYLMHMSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)[NH+]1CCCCC1 ZINC001308365876 933101166 /nfs/dbraw/zinc/10/11/66/933101166.db2.gz IDYNBABLSDUYKY-CYBMUJFWSA-N 2 1 282.378 3.319 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001308554969 933131961 /nfs/dbraw/zinc/13/19/61/933131961.db2.gz RYYVXPULBDNCNB-CWRNSKLLSA-N 2 1 290.451 3.315 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001308554969 933131965 /nfs/dbraw/zinc/13/19/65/933131965.db2.gz RYYVXPULBDNCNB-CWRNSKLLSA-N 2 1 290.451 3.315 20 0 CGADMP C[N@@H+](CCCc1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001308586516 933138229 /nfs/dbraw/zinc/13/82/29/933138229.db2.gz YTKTYKMQUDSCDF-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP C[NH+](CCCc1ccc(F)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001308586516 933138231 /nfs/dbraw/zinc/13/82/31/933138231.db2.gz YTKTYKMQUDSCDF-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP C[NH+](CCCc1ccc(F)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001308586516 933138233 /nfs/dbraw/zinc/13/82/33/933138233.db2.gz YTKTYKMQUDSCDF-HNNXBMFYSA-N 2 1 296.405 3.171 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC001308756041 933171651 /nfs/dbraw/zinc/17/16/51/933171651.db2.gz XHMOJBJDSYLNCR-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319200008 933841516 /nfs/dbraw/zinc/84/15/16/933841516.db2.gz AWAJRYZBXBYJDF-KBRIMQKVSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319210871 933842595 /nfs/dbraw/zinc/84/25/95/933842595.db2.gz GONNXXUXRCNFHE-KZNAEPCWSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319212558 933843506 /nfs/dbraw/zinc/84/35/06/933843506.db2.gz XHDIARSUCOGLJQ-YUELXQCFSA-N 2 1 266.454 3.142 20 0 CGADMP Fc1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC001320752878 934097582 /nfs/dbraw/zinc/09/75/82/934097582.db2.gz FBCATUSXVKDKAW-QGZVFWFLSA-N 2 1 290.426 3.176 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC001322634371 934322995 /nfs/dbraw/zinc/32/29/95/934322995.db2.gz TVXSVWRLYLEUOI-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001473689774 937817689 /nfs/dbraw/zinc/81/76/89/937817689.db2.gz NVIFMEACQYMWSO-IAGOWNOFSA-N 2 1 264.457 3.230 20 0 CGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C ZINC001329023012 935179348 /nfs/dbraw/zinc/17/93/48/935179348.db2.gz JBBKXYKPAOFOPT-VXGBXAGGSA-N 2 1 284.831 3.387 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC001333039522 935506417 /nfs/dbraw/zinc/50/64/17/935506417.db2.gz DBALEVNMBUNUJX-UHFFFAOYSA-N 2 1 288.439 3.053 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC001333586038 935548934 /nfs/dbraw/zinc/54/89/34/935548934.db2.gz CLKHZLXPIJBGNG-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)C[C@@H]2C1 ZINC001333891076 936074283 /nfs/dbraw/zinc/07/42/83/936074283.db2.gz JALPHMZMSLKTQL-SOLBZPMBSA-N 2 1 297.446 3.330 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001335584976 936154622 /nfs/dbraw/zinc/15/46/22/936154622.db2.gz ZDJGDNFNYMSJIM-IXDOHACOSA-N 2 1 264.457 3.229 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001473952641 937831732 /nfs/dbraw/zinc/83/17/32/937831732.db2.gz LFGFHHVTKISGTL-XMTFNYHQSA-N 2 1 296.499 3.434 20 0 CGADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)ccc1F ZINC001473948933 937832047 /nfs/dbraw/zinc/83/20/47/937832047.db2.gz DYSVTHLTNQNTPE-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001474223714 937844682 /nfs/dbraw/zinc/84/46/82/937844682.db2.gz SNZRVFXQJUGQSD-LLVKDONJSA-N 2 1 254.805 3.078 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317659 937850861 /nfs/dbraw/zinc/85/08/61/937850861.db2.gz IWKJPHRYHUMKPY-MAUKXSAKSA-N 2 1 299.462 3.340 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317659 937850863 /nfs/dbraw/zinc/85/08/63/937850863.db2.gz IWKJPHRYHUMKPY-MAUKXSAKSA-N 2 1 299.462 3.340 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317659 937850865 /nfs/dbraw/zinc/85/08/65/937850865.db2.gz IWKJPHRYHUMKPY-MAUKXSAKSA-N 2 1 299.462 3.340 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317659 937850867 /nfs/dbraw/zinc/85/08/67/937850867.db2.gz IWKJPHRYHUMKPY-MAUKXSAKSA-N 2 1 299.462 3.340 20 0 CGADMP CNc1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001474350092 937853221 /nfs/dbraw/zinc/85/32/21/937853221.db2.gz FQYWDIHZDGETBP-INIZCTEOSA-N 2 1 275.440 3.035 20 0 CGADMP CNc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001474350092 937853223 /nfs/dbraw/zinc/85/32/23/937853223.db2.gz FQYWDIHZDGETBP-INIZCTEOSA-N 2 1 275.440 3.035 20 0 CGADMP CNc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001474350092 937853225 /nfs/dbraw/zinc/85/32/25/937853225.db2.gz FQYWDIHZDGETBP-INIZCTEOSA-N 2 1 275.440 3.035 20 0 CGADMP CNc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001474350092 937853227 /nfs/dbraw/zinc/85/32/27/937853227.db2.gz FQYWDIHZDGETBP-INIZCTEOSA-N 2 1 275.440 3.035 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2OCc3ccccc32)CC1 ZINC001474752364 937878664 /nfs/dbraw/zinc/87/86/64/937878664.db2.gz WILPBTLLODKAKC-KRWDZBQOSA-N 2 1 288.435 3.110 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)F)C2)C1 ZINC001549548703 938157953 /nfs/dbraw/zinc/15/79/53/938157953.db2.gz YJGJTRGKVHNPBW-HZSPNIEDSA-N 2 1 274.399 3.132 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)F)C2)C1 ZINC001549548711 938158037 /nfs/dbraw/zinc/15/80/37/938158037.db2.gz YJGJTRGKVHNPBW-RDBSUJKOSA-N 2 1 274.399 3.132 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549709891 938158789 /nfs/dbraw/zinc/15/87/89/938158789.db2.gz CFWVOMRMHUKHQT-SJLPKXTDSA-N 2 1 287.451 3.074 20 0 CGADMP C[C@@H]1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C[C@@H](C)O1 ZINC001549766483 938159144 /nfs/dbraw/zinc/15/91/44/938159144.db2.gz GEQOONCXBAQSNI-RKVPGOIHSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@@H]1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C[C@@H](C)O1 ZINC001549766483 938159145 /nfs/dbraw/zinc/15/91/45/938159145.db2.gz GEQOONCXBAQSNI-RKVPGOIHSA-N 2 1 294.483 3.329 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001550539650 938167504 /nfs/dbraw/zinc/16/75/04/938167504.db2.gz GQVUNLJVOIOGME-TZMCWYRMSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001550539650 938167505 /nfs/dbraw/zinc/16/75/05/938167505.db2.gz GQVUNLJVOIOGME-TZMCWYRMSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001550539650 938167506 /nfs/dbraw/zinc/16/75/06/938167506.db2.gz GQVUNLJVOIOGME-TZMCWYRMSA-N 2 1 298.352 3.089 20 0 CGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)c(F)c1 ZINC001551377807 938180697 /nfs/dbraw/zinc/18/06/97/938180697.db2.gz KNIFRSSASSWPRO-IJGSQOGDSA-N 2 1 292.373 3.085 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552414074 938192163 /nfs/dbraw/zinc/19/21/63/938192163.db2.gz XNCUKVGTKSKRGK-UOVPBQLFSA-N 2 1 272.436 3.239 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC001553025719 938196081 /nfs/dbraw/zinc/19/60/81/938196081.db2.gz HYORLGUOZSBUJR-KVULBXGLSA-N 2 1 288.410 3.336 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCc3ccc(F)c(F)c32)C1 ZINC001553290937 938197920 /nfs/dbraw/zinc/19/79/20/938197920.db2.gz FTRYBODXOMLZAD-OCCSQVGLSA-N 2 1 294.389 3.320 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCC12CCOCC2 ZINC001559917944 938238835 /nfs/dbraw/zinc/23/88/35/938238835.db2.gz VVQMANSCMNPXEY-INIZCTEOSA-N 2 1 294.483 3.047 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043957 938242454 /nfs/dbraw/zinc/24/24/54/938242454.db2.gz PHYYPHKDVULEDL-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043957 938242455 /nfs/dbraw/zinc/24/24/55/938242455.db2.gz PHYYPHKDVULEDL-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001560043957 938242456 /nfs/dbraw/zinc/24/24/56/938242456.db2.gz PHYYPHKDVULEDL-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001560043957 938242457 /nfs/dbraw/zinc/24/24/57/938242457.db2.gz PHYYPHKDVULEDL-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001560108499 938244359 /nfs/dbraw/zinc/24/43/59/938244359.db2.gz DRNRHOQFZXEOFQ-QGZVFWFLSA-N 2 1 295.430 3.409 20 0 CGADMP CC(C)CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001560155680 938245459 /nfs/dbraw/zinc/24/54/59/938245459.db2.gz RPPDLLAABOZZLU-HNNXBMFYSA-N 2 1 261.413 3.028 20 0 CGADMP C[C@H](C[NH2+]CC1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC001560268043 938249444 /nfs/dbraw/zinc/24/94/44/938249444.db2.gz RLMTVKGAUSUVHK-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](C[NH2+]CC1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC001560268043 938249445 /nfs/dbraw/zinc/24/94/45/938249445.db2.gz RLMTVKGAUSUVHK-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](C[NH2+]CC1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC001560268042 938250233 /nfs/dbraw/zinc/25/02/33/938250233.db2.gz RLMTVKGAUSUVHK-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](C[NH2+]CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC001560268042 938250234 /nfs/dbraw/zinc/25/02/34/938250234.db2.gz RLMTVKGAUSUVHK-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC001560320183 938252936 /nfs/dbraw/zinc/25/29/36/938252936.db2.gz QBMJGUAADHQSOM-PBHICJAKSA-N 2 1 260.425 3.417 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001560348183 938254156 /nfs/dbraw/zinc/25/41/56/938254156.db2.gz ORCVTVLQWZGNPY-OAHLLOKOSA-N 2 1 283.419 3.349 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cc1 ZINC001560523775 938261469 /nfs/dbraw/zinc/26/14/69/938261469.db2.gz OVTQJJWBORFQCQ-UHFFFAOYSA-N 2 1 278.440 3.153 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1 ZINC001560523775 938261471 /nfs/dbraw/zinc/26/14/71/938261471.db2.gz OVTQJJWBORFQCQ-UHFFFAOYSA-N 2 1 278.440 3.153 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2(C)C(C)(C)C2(C)C)CC1(C)C ZINC001560609919 938265397 /nfs/dbraw/zinc/26/53/97/938265397.db2.gz DLUKBLXVARQUFZ-LBPRGKRZSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1ccc(CC[NH2+]C(C)(C)C[NH+]2CCCC2)cc1C ZINC001560891922 938282129 /nfs/dbraw/zinc/28/21/29/938282129.db2.gz YULMRFBOOQQINM-UHFFFAOYSA-N 2 1 274.452 3.310 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001561053695 938292181 /nfs/dbraw/zinc/29/21/81/938292181.db2.gz YXYFBXAFCBJNAK-GRZALLJUSA-N 2 1 290.426 3.077 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)c1ccc(F)cc1 ZINC001575472866 960468318 /nfs/dbraw/zinc/46/83/18/960468318.db2.gz QLYUMYTWVOKXLV-QWHCGFSZSA-N 2 1 292.320 3.392 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001576669672 960477207 /nfs/dbraw/zinc/47/72/07/960477207.db2.gz STUTXAZIFJCAHS-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001576669672 960477214 /nfs/dbraw/zinc/47/72/14/960477214.db2.gz STUTXAZIFJCAHS-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001575421686 962376130 /nfs/dbraw/zinc/37/61/30/962376130.db2.gz BFSGHMRMYBLRJC-LSDHHAIUSA-N 2 1 280.843 3.360 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)CCCCc1ccccc1 ZINC001575423467 962378031 /nfs/dbraw/zinc/37/80/31/962378031.db2.gz UPZDTOPMYUWZEO-QGZVFWFLSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)CSCCC[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575616527 962404325 /nfs/dbraw/zinc/40/43/25/962404325.db2.gz APWFWYOQJOZBJD-JKSUJKDBSA-N 2 1 284.513 3.217 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@H+]1CCCC(C)(C)C1 ZINC001575933739 962416070 /nfs/dbraw/zinc/41/60/70/962416070.db2.gz JVRWGRYNXQAITJ-IRXDYDNUSA-N 2 1 295.515 3.009 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C[C@@H]1[NH3+] ZINC001576380657 962454617 /nfs/dbraw/zinc/45/46/17/962454617.db2.gz WIVISWZRUXDFST-JKSUJKDBSA-N 2 1 288.366 3.301 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC001576427283 962455946 /nfs/dbraw/zinc/45/59/46/962455946.db2.gz VMDKMCHHZMRSBD-GJZGRUSLSA-N 2 1 252.446 3.406 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC001576434684 962457505 /nfs/dbraw/zinc/45/75/05/962457505.db2.gz IGOUVFULSWUDTM-LSDHHAIUSA-N 2 1 252.446 3.264 20 0 CGADMP CC1(C)CC(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001576396122 962459171 /nfs/dbraw/zinc/45/91/71/962459171.db2.gz VXLLRXGZQSPESS-DLBZAZTESA-N 2 1 272.436 3.158 20 0 CGADMP CC1(C)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@H]1c1cccs1 ZINC001576458042 962464447 /nfs/dbraw/zinc/46/44/47/962464447.db2.gz VXWXWRIZVDZCGI-SCRDCRAPSA-N 2 1 264.438 3.258 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC001576747430 962487931 /nfs/dbraw/zinc/48/79/31/962487931.db2.gz ADCUXFXIICUEIH-JLDOPYBVSA-N 2 1 294.483 3.233 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C[C@H]1C[NH3+] ZINC001576731207 962488583 /nfs/dbraw/zinc/48/85/83/962488583.db2.gz GMKDOSOAKFYMKK-NWDGAFQWSA-N 2 1 290.432 3.024 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001577249320 962516307 /nfs/dbraw/zinc/51/63/07/962516307.db2.gz GXWWAFVIHSGRAP-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCC(C)C)c2)CC[C@H]1[NH3+] ZINC001577279251 962527956 /nfs/dbraw/zinc/52/79/56/962527956.db2.gz AYRDBZJCRVPZAW-SJLPKXTDSA-N 2 1 290.451 3.281 20 0 CGADMP CC[C@@H]1C[N@@H+](CCC2C[NH2+]C2)CC[C@H]1c1ccccc1 ZINC001577279682 962529034 /nfs/dbraw/zinc/52/90/34/962529034.db2.gz NSXSKRKTJMGKMM-SJLPKXTDSA-N 2 1 272.436 3.112 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC001577608654 962550948 /nfs/dbraw/zinc/55/09/48/962550948.db2.gz JVDIJSWQGRXYQV-RHSMWYFYSA-N 2 1 260.425 3.056 20 0 CGADMP CCc1ccc2c(c1)CC[N@H+](C[C@H]1CC[C@H](C[NH3+])CC1)C2 ZINC001578263472 962582684 /nfs/dbraw/zinc/58/26/84/962582684.db2.gz IRWKYRVUHNIUAT-QAQDUYKDSA-N 2 1 286.463 3.372 20 0 CGADMP C[N@H+](CCOc1ccccc1Cl)C[C@]1(C)CCC[NH2+]C1 ZINC001578477328 962589911 /nfs/dbraw/zinc/58/99/11/962589911.db2.gz WNAIAIAGEAGVDQ-MRXNPFEDSA-N 2 1 296.842 3.040 20 0 CGADMP C[N@@H+](CCOc1ccccc1Cl)C[C@]1(C)CCC[NH2+]C1 ZINC001578477328 962589920 /nfs/dbraw/zinc/58/99/20/962589920.db2.gz WNAIAIAGEAGVDQ-MRXNPFEDSA-N 2 1 296.842 3.040 20 0 CGADMP COC1(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC1 ZINC001578926345 962601610 /nfs/dbraw/zinc/60/16/10/962601610.db2.gz FMZNPIDUNVJEHG-SJORKVTESA-N 2 1 288.435 3.029 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001579175640 962613340 /nfs/dbraw/zinc/61/33/40/962613340.db2.gz GYMTVJYDTDTOAJ-XJKSGUPXSA-N 2 1 284.403 3.018 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001579395798 962625453 /nfs/dbraw/zinc/62/54/53/962625453.db2.gz OTRGDDLDTJRMJP-DRCTWCGVSA-N 2 1 286.341 3.067 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC001579581541 962637438 /nfs/dbraw/zinc/63/74/38/962637438.db2.gz ZIKKDQUCMSPXIL-DLBZAZTESA-N 2 1 258.409 3.007 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC001579581541 962637451 /nfs/dbraw/zinc/63/74/51/962637451.db2.gz ZIKKDQUCMSPXIL-DLBZAZTESA-N 2 1 258.409 3.007 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC001579740371 962664511 /nfs/dbraw/zinc/66/45/11/962664511.db2.gz MZLWPVIVVXODIC-DLBZAZTESA-N 2 1 297.446 3.298 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc21 ZINC001579776300 962669974 /nfs/dbraw/zinc/66/99/74/962669974.db2.gz MGXCSTFNOQYJTB-OAHLLOKOSA-N 2 1 271.408 3.180 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC001579754577 962671860 /nfs/dbraw/zinc/67/18/60/962671860.db2.gz HRUKUXFCMZAWQY-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@H](C)[NH3+] ZINC001579784786 962673428 /nfs/dbraw/zinc/67/34/28/962673428.db2.gz RELVAISXNUDWOV-AWEZNQCLSA-N 2 1 254.377 3.099 20 0 CGADMP Cc1ncoc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001579888118 962679709 /nfs/dbraw/zinc/67/97/09/962679709.db2.gz OLCOWOTYABYXBA-GDBMZVCRSA-N 2 1 291.439 3.103 20 0 CGADMP FC1(F)CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001580024509 962686818 /nfs/dbraw/zinc/68/68/18/962686818.db2.gz YNLSHERSALFPNK-CWRNSKLLSA-N 2 1 294.389 3.157 20 0 CGADMP [NH3+]C[C@H]([NH2+]CC12CCC(CC1)C2)C1CCCCC1 ZINC001580229270 962708846 /nfs/dbraw/zinc/70/88/46/962708846.db2.gz LUABTMDYFAVPQC-SIWZUTFBSA-N 2 1 250.430 3.064 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C)c2)[C@@H](C)C1 ZINC000294951253 199267050 /nfs/dbraw/zinc/26/70/50/199267050.db2.gz VOGJLNVOPGPGCE-WFASDCNBSA-N 2 1 266.454 3.219 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C)c2)[C@@H](C)C1 ZINC000294951253 199267052 /nfs/dbraw/zinc/26/70/52/199267052.db2.gz VOGJLNVOPGPGCE-WFASDCNBSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C)c2)[C@@H](C)C1 ZINC000294951253 199267054 /nfs/dbraw/zinc/26/70/54/199267054.db2.gz VOGJLNVOPGPGCE-WFASDCNBSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C)c2)[C@@H](C)C1 ZINC000294951253 199267056 /nfs/dbraw/zinc/26/70/56/199267056.db2.gz VOGJLNVOPGPGCE-WFASDCNBSA-N 2 1 266.454 3.219 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124531025 187141826 /nfs/dbraw/zinc/14/18/26/187141826.db2.gz VSFLJMITNFKRME-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)n1 ZINC000651492005 398253652 /nfs/dbraw/zinc/25/36/52/398253652.db2.gz OSZZZIBESWUWBB-AWEZNQCLSA-N 2 1 275.440 3.223 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000621728125 349569327 /nfs/dbraw/zinc/56/93/27/349569327.db2.gz BZEGJOVJRJLBTD-CJNGLKHVSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000621728125 349569332 /nfs/dbraw/zinc/56/93/32/349569332.db2.gz BZEGJOVJRJLBTD-CJNGLKHVSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000621728125 349569337 /nfs/dbraw/zinc/56/93/37/349569337.db2.gz BZEGJOVJRJLBTD-CJNGLKHVSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000621728125 349569344 /nfs/dbraw/zinc/56/93/44/349569344.db2.gz BZEGJOVJRJLBTD-CJNGLKHVSA-N 2 1 280.481 3.473 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000337765650 214252420 /nfs/dbraw/zinc/25/24/20/214252420.db2.gz SJNRDIQTXOSIIQ-LJQANCHMSA-N 2 1 298.430 3.279 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCCCOc1ccccc1)C2 ZINC000622004289 349621089 /nfs/dbraw/zinc/62/10/89/349621089.db2.gz NAQAKPLVVRNOHR-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000651867038 398298659 /nfs/dbraw/zinc/29/86/59/398298659.db2.gz ZORCDCLRBSELSK-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@@H]1CCSC1)C1CCCCC1 ZINC000651910572 398305270 /nfs/dbraw/zinc/30/52/70/398305270.db2.gz ZMSBDOZGVGJYKK-HNNXBMFYSA-N 2 1 284.513 3.374 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651911021 398305559 /nfs/dbraw/zinc/30/55/59/398305559.db2.gz XUFFAHRVGVEEIG-XYVMCAHJSA-N 2 1 270.420 3.067 20 0 CGADMP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651911496 398306188 /nfs/dbraw/zinc/30/61/88/398306188.db2.gz BUUJJNVUWCGIGB-BYNSBNAKSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1OC ZINC000338016316 214363281 /nfs/dbraw/zinc/36/32/81/214363281.db2.gz KFVKCGXGXMMZOZ-MRXNPFEDSA-N 2 1 287.407 3.331 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125528014 187189741 /nfs/dbraw/zinc/18/97/41/187189741.db2.gz NKQLMXWYIDRHQP-AWEZNQCLSA-N 2 1 264.413 3.065 20 0 CGADMP Cc1[nH+]ccc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1Cl ZINC000488723264 282187099 /nfs/dbraw/zinc/18/70/99/282187099.db2.gz QMSJLUMGSCOXQB-TYNCELHUSA-N 2 1 293.842 3.210 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423466421 529569494 /nfs/dbraw/zinc/56/94/94/529569494.db2.gz NMNSYQVNHOVTLZ-MLGOLLRUSA-N 2 1 272.392 3.236 20 0 CGADMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(C(=O)OC)cc1 ZINC000423294907 529591044 /nfs/dbraw/zinc/59/10/44/529591044.db2.gz VPDDCTOSBVLKRS-HNNXBMFYSA-N 2 1 292.423 3.031 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423316053 529611534 /nfs/dbraw/zinc/61/15/34/529611534.db2.gz JQQSTJYYXXIFHQ-KGLIPLIRSA-N 2 1 297.240 3.227 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623335533 349779773 /nfs/dbraw/zinc/77/97/73/349779773.db2.gz REHGPZISBWSFAQ-UHFFFAOYSA-N 2 1 284.831 3.170 20 0 CGADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000126195063 187223053 /nfs/dbraw/zinc/22/30/53/187223053.db2.gz XFCZSWLVXVTKRB-LISAXSMJSA-N 2 1 290.451 3.081 20 0 CGADMP Cc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000126195439 187223520 /nfs/dbraw/zinc/22/35/20/187223520.db2.gz XFCZSWLVXVTKRB-CUSZFKRNSA-N 2 1 290.451 3.081 20 0 CGADMP CCc1cnc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000414809317 529652580 /nfs/dbraw/zinc/65/25/80/529652580.db2.gz MAWZKHULLZXLDN-NSHDSACASA-N 2 1 275.421 3.015 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423280945 529654148 /nfs/dbraw/zinc/65/41/48/529654148.db2.gz TZXQDJOFKKUYOW-KBPBESRZSA-N 2 1 252.789 3.118 20 0 CGADMP Cc1cccc(C)c1OCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623369835 349791635 /nfs/dbraw/zinc/79/16/35/349791635.db2.gz SNORIUFFSVPXNV-INIZCTEOSA-N 2 1 290.451 3.145 20 0 CGADMP CCC[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401854 349799781 /nfs/dbraw/zinc/79/97/81/349799781.db2.gz RAGCBSMHNYBHBZ-HOCLYGCPSA-N 2 1 275.440 3.385 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401854 349799787 /nfs/dbraw/zinc/79/97/87/349799787.db2.gz RAGCBSMHNYBHBZ-HOCLYGCPSA-N 2 1 275.440 3.385 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401854 349799790 /nfs/dbraw/zinc/79/97/90/349799790.db2.gz RAGCBSMHNYBHBZ-HOCLYGCPSA-N 2 1 275.440 3.385 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000623408168 349800523 /nfs/dbraw/zinc/80/05/23/349800523.db2.gz LJACIHKCWNNYIQ-HOCLYGCPSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000623408168 349800525 /nfs/dbraw/zinc/80/05/25/349800525.db2.gz LJACIHKCWNNYIQ-HOCLYGCPSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338780578 214769062 /nfs/dbraw/zinc/76/90/62/214769062.db2.gz ZCJKZKLNWHXJLH-ILMPWQCYSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338780578 214769065 /nfs/dbraw/zinc/76/90/65/214769065.db2.gz ZCJKZKLNWHXJLH-ILMPWQCYSA-N 2 1 272.436 3.251 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000358341463 282273160 /nfs/dbraw/zinc/27/31/60/282273160.db2.gz NTQZFVXOBAQGRW-WTTBNOFXSA-N 2 1 284.488 3.146 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000423518035 529729761 /nfs/dbraw/zinc/72/97/61/529729761.db2.gz ZBBGEFBGTSKVCW-GWCFXTLKSA-N 2 1 281.469 3.182 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCC[NH+](CC)CC)C1 ZINC000351470264 219098237 /nfs/dbraw/zinc/09/82/37/219098237.db2.gz BHEDYKVIISPQDF-CABCVRRESA-N 2 1 272.502 3.324 20 0 CGADMP CC(C)C(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623504188 349822203 /nfs/dbraw/zinc/82/22/03/349822203.db2.gz CSQPMTFHZMFDED-AWEZNQCLSA-N 2 1 254.462 3.377 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)ccc2[nH]1 ZINC000623524534 349826805 /nfs/dbraw/zinc/82/68/05/349826805.db2.gz YKGZLKSNEFZXTB-MRXNPFEDSA-N 2 1 285.435 3.439 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1(C)C ZINC000623555522 349833168 /nfs/dbraw/zinc/83/31/68/349833168.db2.gz RPZYFXSPCHAZPL-ARFHVFGLSA-N 2 1 264.457 3.418 20 0 CGADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538701 349829262 /nfs/dbraw/zinc/82/92/62/349829262.db2.gz QSJIIYSPYNBXLE-FUHWJXTLSA-N 2 1 290.451 3.011 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)CC1(C)C ZINC000623549541 349831181 /nfs/dbraw/zinc/83/11/81/349831181.db2.gz FMTXCDUHIRDHKS-OAHLLOKOSA-N 2 1 289.467 3.342 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)CC1(C)C ZINC000623549541 349831183 /nfs/dbraw/zinc/83/11/83/349831183.db2.gz FMTXCDUHIRDHKS-OAHLLOKOSA-N 2 1 289.467 3.342 20 0 CGADMP CCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623560981 349835199 /nfs/dbraw/zinc/83/51/99/349835199.db2.gz YKWAPIQUXBHFHT-MRXNPFEDSA-N 2 1 260.425 3.211 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)[C@H]2CCC[C@@H]21 ZINC000367629378 529806705 /nfs/dbraw/zinc/80/67/05/529806705.db2.gz YDGQXYVEDYFUKL-NEWSRXKRSA-N 2 1 295.430 3.197 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000128026417 187346953 /nfs/dbraw/zinc/34/69/53/187346953.db2.gz UYPZFKRFPCKLEX-CHWSQXEVSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000128026417 187346954 /nfs/dbraw/zinc/34/69/54/187346954.db2.gz UYPZFKRFPCKLEX-CHWSQXEVSA-N 2 1 282.790 3.196 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)s1 ZINC000623656250 349857658 /nfs/dbraw/zinc/85/76/58/349857658.db2.gz PYEQMTUTZWAXEK-CQSZACIVSA-N 2 1 266.454 3.186 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000623678284 349864117 /nfs/dbraw/zinc/86/41/17/349864117.db2.gz FBUWLKLWOPGAJE-JCNLHEQBSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+](CCCOCc1ccccc1)CC[C@@H]1CCC[NH+]1C ZINC000439487996 529894460 /nfs/dbraw/zinc/89/44/60/529894460.db2.gz XPQQNVSIPXJRPW-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](CCCOCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000439487996 529894461 /nfs/dbraw/zinc/89/44/61/529894461.db2.gz XPQQNVSIPXJRPW-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](CCCOCc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC000439487996 529894463 /nfs/dbraw/zinc/89/44/63/529894463.db2.gz XPQQNVSIPXJRPW-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000338957168 214863123 /nfs/dbraw/zinc/86/31/23/214863123.db2.gz FJKCSAKWXYMRMF-KBPBESRZSA-N 2 1 281.469 3.091 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000423255533 529999620 /nfs/dbraw/zinc/99/96/20/529999620.db2.gz AHYMWHFBFOCCSN-UONOGXRCSA-N 2 1 272.392 3.453 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000418086503 530060808 /nfs/dbraw/zinc/06/08/08/530060808.db2.gz CSHVUQMVACMHGQ-KBAYOESNSA-N 2 1 272.436 3.112 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000414200667 530060836 /nfs/dbraw/zinc/06/08/36/530060836.db2.gz XOEPEVVFANVKMY-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000044364576 345009533 /nfs/dbraw/zinc/00/95/33/345009533.db2.gz YJVSNWKXWJANJF-HNNXBMFYSA-N 2 1 283.419 3.055 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000044533493 345013082 /nfs/dbraw/zinc/01/30/82/345013082.db2.gz LSNIXZDLRBHLSV-NFOMZHRRSA-N 2 1 276.399 3.003 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000044533457 345013228 /nfs/dbraw/zinc/01/32/28/345013228.db2.gz ZDANIAGWSPWXKE-KTAKPFMOSA-N 2 1 276.399 3.003 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000044532949 345013405 /nfs/dbraw/zinc/01/34/05/345013405.db2.gz UXNPEZOWRDWFKQ-CXAGYDPISA-N 2 1 276.399 3.208 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000066593979 345301040 /nfs/dbraw/zinc/30/10/40/345301040.db2.gz QGAKOONIJNFUSP-LBPRGKRZSA-N 2 1 277.437 3.241 20 0 CGADMP C[NH+](C)CCc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623952532 349926542 /nfs/dbraw/zinc/92/65/42/349926542.db2.gz WARMTDHGVSUFJK-QGZVFWFLSA-N 2 1 289.467 3.075 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000149608917 232202890 /nfs/dbraw/zinc/20/28/90/232202890.db2.gz OTEIWHKOHMJWQG-QKPAOTATSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000149608917 232202891 /nfs/dbraw/zinc/20/28/91/232202891.db2.gz OTEIWHKOHMJWQG-QKPAOTATSA-N 2 1 264.457 3.418 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086904465 345751514 /nfs/dbraw/zinc/75/15/14/345751514.db2.gz IBLUWGKASBQOAA-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000091321100 345810816 /nfs/dbraw/zinc/81/08/16/345810816.db2.gz KTEPIWKSBVZLCP-PBHICJAKSA-N 2 1 286.423 3.210 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C(C)C)C2CC2)C1 ZINC000090586840 345790588 /nfs/dbraw/zinc/79/05/88/345790588.db2.gz TWZBWELYLSNZCZ-NVXWUHKLSA-N 2 1 266.473 3.379 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092799246 345859106 /nfs/dbraw/zinc/85/91/06/345859106.db2.gz QZMLPOGWOSRBLT-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092799246 345859109 /nfs/dbraw/zinc/85/91/09/345859109.db2.gz QZMLPOGWOSRBLT-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000094279040 345898040 /nfs/dbraw/zinc/89/80/40/345898040.db2.gz DGUVWTDCVYPGQM-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000124547158 346012672 /nfs/dbraw/zinc/01/26/72/346012672.db2.gz DBVKZAOOMAFEMC-SUMWQHHRSA-N 2 1 254.377 3.151 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccn2CCC(C)C)C1 ZINC000161764539 346176705 /nfs/dbraw/zinc/17/67/05/346176705.db2.gz AEQSNMMPQVUPFK-KRWDZBQOSA-N 2 1 291.483 3.356 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000250487086 346385582 /nfs/dbraw/zinc/38/55/82/346385582.db2.gz FDFFPLXVIIHZTI-JKSUJKDBSA-N 2 1 260.425 3.110 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000315291841 346483396 /nfs/dbraw/zinc/48/33/96/346483396.db2.gz JDMUKSUMGQFXLV-HZPDHXFCSA-N 2 1 292.467 3.335 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000315291841 346483398 /nfs/dbraw/zinc/48/33/98/346483398.db2.gz JDMUKSUMGQFXLV-HZPDHXFCSA-N 2 1 292.467 3.335 20 0 CGADMP C/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658316 346555135 /nfs/dbraw/zinc/55/51/35/346555135.db2.gz WAAIRWRDMCHDDW-GILVVUIESA-N 2 1 258.409 3.205 20 0 CGADMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658316 346555136 /nfs/dbraw/zinc/55/51/36/346555136.db2.gz WAAIRWRDMCHDDW-GILVVUIESA-N 2 1 258.409 3.205 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000388737540 346571211 /nfs/dbraw/zinc/57/12/11/346571211.db2.gz IZXRMSAGRAFWGQ-AGIUHOORSA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000388737540 346571214 /nfs/dbraw/zinc/57/12/14/346571214.db2.gz IZXRMSAGRAFWGQ-AGIUHOORSA-N 2 1 280.378 3.426 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000400120445 346588861 /nfs/dbraw/zinc/58/88/61/346588861.db2.gz PAJGUWWYKCAWLN-HOWGUPMCSA-N 2 1 264.457 3.131 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CCCCCC2)C1 ZINC000568697340 346664588 /nfs/dbraw/zinc/66/45/88/346664588.db2.gz NZENXRQVALEIPX-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CC2CCCCCC2)C1 ZINC000568697340 346664589 /nfs/dbraw/zinc/66/45/89/346664589.db2.gz NZENXRQVALEIPX-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CC2CCCCCC2)C1 ZINC000568697340 346664590 /nfs/dbraw/zinc/66/45/90/346664590.db2.gz NZENXRQVALEIPX-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cc2ccccc2s1 ZINC000576335763 346670786 /nfs/dbraw/zinc/67/07/86/346670786.db2.gz VSIQYWJSIXIFMV-UHFFFAOYSA-N 2 1 262.422 3.285 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cc2ccccc2s1 ZINC000576335763 346670790 /nfs/dbraw/zinc/67/07/90/346670790.db2.gz VSIQYWJSIXIFMV-UHFFFAOYSA-N 2 1 262.422 3.285 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)o1 ZINC000584682251 346707658 /nfs/dbraw/zinc/70/76/58/346707658.db2.gz MCGIADIYZCGKSU-LUYZLQTOSA-N 2 1 276.424 3.175 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1n[nH]c2ccccc21 ZINC000589633583 346803429 /nfs/dbraw/zinc/80/34/29/346803429.db2.gz OIDCDTOATWHQSE-AWEZNQCLSA-N 2 1 288.439 3.163 20 0 CGADMP C[C@H](CSCCF)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000595014933 347257481 /nfs/dbraw/zinc/25/74/81/347257481.db2.gz VSSDINAQKWBHFQ-CABCVRRESA-N 2 1 290.492 3.322 20 0 CGADMP Clc1cccc2c1SCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335567730 282535125 /nfs/dbraw/zinc/53/51/25/282535125.db2.gz NVOSQJWJIGHBLM-CYBMUJFWSA-N 2 1 282.840 3.219 20 0 CGADMP CC[C@@H](C)C[NH+](C)C/C=C/C[N@H+](C)C[C@@H](C)CC ZINC000600655251 347826876 /nfs/dbraw/zinc/82/68/76/347826876.db2.gz TUFMLJVZMHNLFJ-WTBPUQPLSA-N 2 1 254.462 3.498 20 0 CGADMP CC[C@@H](C)C[N@@H+](C)C/C=C/C[NH+](C)C[C@@H](C)CC ZINC000600655251 347826879 /nfs/dbraw/zinc/82/68/79/347826879.db2.gz TUFMLJVZMHNLFJ-WTBPUQPLSA-N 2 1 254.462 3.498 20 0 CGADMP CC[C@@H](C)C[N@H+](C)C/C=C/C[NH+](C)C[C@@H](C)CC ZINC000600655251 347826884 /nfs/dbraw/zinc/82/68/84/347826884.db2.gz TUFMLJVZMHNLFJ-WTBPUQPLSA-N 2 1 254.462 3.498 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCCCC1 ZINC000624120245 349976487 /nfs/dbraw/zinc/97/64/87/349976487.db2.gz UTDWASASFYAJHW-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000624120264 349977080 /nfs/dbraw/zinc/97/70/80/349977080.db2.gz VASCUYRSGASIRA-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000624120264 349977084 /nfs/dbraw/zinc/97/70/84/349977084.db2.gz VASCUYRSGASIRA-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624121235 349978448 /nfs/dbraw/zinc/97/84/48/349978448.db2.gz QPPGBFXBJJTYLV-SMDDNHRTSA-N 2 1 281.469 3.142 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000624122498 349981349 /nfs/dbraw/zinc/98/13/49/349981349.db2.gz SRLMNRKFRBHTBA-YJBOKZPZSA-N 2 1 272.436 3.459 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000624122326 349981442 /nfs/dbraw/zinc/98/14/42/349981442.db2.gz OKVDLIIRTREZGC-QAPCUYQASA-N 2 1 287.451 3.255 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000624122527 349981707 /nfs/dbraw/zinc/98/17/07/349981707.db2.gz UBONHGIWYAFMBF-DJIMGWMZSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000624123505 349982502 /nfs/dbraw/zinc/98/25/02/349982502.db2.gz NGPXTNISSIOAME-WCVJEAGWSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000605574337 348162702 /nfs/dbraw/zinc/16/27/02/348162702.db2.gz MSAWJKIOGPYTKF-GBEXYDAJSA-N 2 1 276.468 3.371 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]1C1CC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000605574337 348162707 /nfs/dbraw/zinc/16/27/07/348162707.db2.gz MSAWJKIOGPYTKF-GBEXYDAJSA-N 2 1 276.468 3.371 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]1C1CC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000605574337 348162710 /nfs/dbraw/zinc/16/27/10/348162710.db2.gz MSAWJKIOGPYTKF-GBEXYDAJSA-N 2 1 276.468 3.371 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000339405941 215150331 /nfs/dbraw/zinc/15/03/31/215150331.db2.gz DQEJWBMIGPXOAT-KGLIPLIRSA-N 2 1 293.480 3.133 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624124065 349983354 /nfs/dbraw/zinc/98/33/54/349983354.db2.gz WFJUIGJFOFJMOW-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000339409458 215155280 /nfs/dbraw/zinc/15/52/80/215155280.db2.gz YXBKQSFAOBEMNV-SJLPKXTDSA-N 2 1 274.452 3.487 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123594 349983395 /nfs/dbraw/zinc/98/33/95/349983395.db2.gz OTLKRZCRALSNGX-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOC3CCCCCC3)C2)C1 ZINC000339441256 215173441 /nfs/dbraw/zinc/17/34/41/215173441.db2.gz VCUXXOGYCPYRER-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOC3CCCCCC3)C2)C1 ZINC000339441256 215173444 /nfs/dbraw/zinc/17/34/44/215173444.db2.gz VCUXXOGYCPYRER-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOC3CCCCCC3)C2)C1 ZINC000339441256 215173446 /nfs/dbraw/zinc/17/34/46/215173446.db2.gz VCUXXOGYCPYRER-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCc3ccsc3)C2)C1 ZINC000339439268 215173591 /nfs/dbraw/zinc/17/35/91/215173591.db2.gz SUUDLKFWGSNWGF-INIZCTEOSA-N 2 1 278.465 3.098 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCc3ccsc3)C2)C1 ZINC000339439268 215173592 /nfs/dbraw/zinc/17/35/92/215173592.db2.gz SUUDLKFWGSNWGF-INIZCTEOSA-N 2 1 278.465 3.098 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCc3ccsc3)C2)C1 ZINC000339439268 215173595 /nfs/dbraw/zinc/17/35/95/215173595.db2.gz SUUDLKFWGSNWGF-INIZCTEOSA-N 2 1 278.465 3.098 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000358141838 233064303 /nfs/dbraw/zinc/06/43/03/233064303.db2.gz ZXEVZMXXFRUDKS-HUUCEWRRSA-N 2 1 296.817 3.238 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2C ZINC000358090859 233056893 /nfs/dbraw/zinc/05/68/93/233056893.db2.gz WEZCZWMMFKOOKO-UGSOOPFHSA-N 2 1 283.419 3.413 20 0 CGADMP COC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358192028 233077693 /nfs/dbraw/zinc/07/76/93/233077693.db2.gz PQXIUVFQCAOFFP-RDJZCZTQSA-N 2 1 290.451 3.054 20 0 CGADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358192028 233077694 /nfs/dbraw/zinc/07/76/94/233077694.db2.gz PQXIUVFQCAOFFP-RDJZCZTQSA-N 2 1 290.451 3.054 20 0 CGADMP Cc1ncsc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358477990 233139582 /nfs/dbraw/zinc/13/95/82/233139582.db2.gz AHYGIKVQTUAWGA-OCCSQVGLSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ncsc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358477990 233139584 /nfs/dbraw/zinc/13/95/84/233139584.db2.gz AHYGIKVQTUAWGA-OCCSQVGLSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ncsc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358710509 233180650 /nfs/dbraw/zinc/18/06/50/233180650.db2.gz FNDVHTNPQJUWBQ-UHFFFAOYSA-N 2 1 293.480 3.338 20 0 CGADMP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCC[C@H](C)C1 ZINC000339643424 215284727 /nfs/dbraw/zinc/28/47/27/215284727.db2.gz HAYKAGAGWDTQQJ-RYQLBKOJSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCC[C@H](C)C1 ZINC000339643424 215284729 /nfs/dbraw/zinc/28/47/29/215284729.db2.gz HAYKAGAGWDTQQJ-RYQLBKOJSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCC[C@H](C)C1 ZINC000339643424 215284731 /nfs/dbraw/zinc/28/47/31/215284731.db2.gz HAYKAGAGWDTQQJ-RYQLBKOJSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCC[C@H](C)C1 ZINC000339643424 215284733 /nfs/dbraw/zinc/28/47/33/215284733.db2.gz HAYKAGAGWDTQQJ-RYQLBKOJSA-N 2 1 296.499 3.122 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000352049974 219303915 /nfs/dbraw/zinc/30/39/15/219303915.db2.gz OZWCHHRANVZMPS-JYJNAYRXSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H](F)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000352049974 219303916 /nfs/dbraw/zinc/30/39/16/219303916.db2.gz OZWCHHRANVZMPS-JYJNAYRXSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H](F)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000352049974 219303918 /nfs/dbraw/zinc/30/39/18/219303918.db2.gz OZWCHHRANVZMPS-JYJNAYRXSA-N 2 1 270.436 3.321 20 0 CGADMP COc1ccsc1C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271242515 191022538 /nfs/dbraw/zinc/02/25/38/191022538.db2.gz GEFZSRHETFDRKQ-QWHCGFSZSA-N 2 1 291.420 3.036 20 0 CGADMP CC(C)[NH+](CCCC[N@H+](C)C(C)C)C[C@H]1C[C@H]1C ZINC000625931180 350231701 /nfs/dbraw/zinc/23/17/01/350231701.db2.gz OQNHCTPHEKHAEF-HZPDHXFCSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[NH+](C)CCCC[N@H+](C[C@H]1C[C@H]1C)C(C)C ZINC000625931180 350231703 /nfs/dbraw/zinc/23/17/03/350231703.db2.gz OQNHCTPHEKHAEF-HZPDHXFCSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[NH+](C)CCCC[N@@H+](C[C@H]1C[C@H]1C)C(C)C ZINC000625931180 350231706 /nfs/dbraw/zinc/23/17/06/350231706.db2.gz OQNHCTPHEKHAEF-HZPDHXFCSA-N 2 1 254.462 3.473 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351285 191090761 /nfs/dbraw/zinc/09/07/61/191090761.db2.gz YMFNRQSKFKPSKE-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351285 191090764 /nfs/dbraw/zinc/09/07/64/191090764.db2.gz YMFNRQSKFKPSKE-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351285 191090767 /nfs/dbraw/zinc/09/07/67/191090767.db2.gz YMFNRQSKFKPSKE-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000628149530 350411562 /nfs/dbraw/zinc/41/15/62/350411562.db2.gz COLKDIUPUHTPSL-MRXNPFEDSA-N 2 1 284.513 3.324 20 0 CGADMP Cc1cc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1C[NH+](C)C ZINC000628309495 350492735 /nfs/dbraw/zinc/49/27/35/350492735.db2.gz ZOHWZOHTRBYPDU-KRWDZBQOSA-N 2 1 289.467 3.341 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628284029 350477984 /nfs/dbraw/zinc/47/79/84/350477984.db2.gz WSVGLWGDSQMCNY-NWDGAFQWSA-N 2 1 262.388 3.130 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628284029 350477987 /nfs/dbraw/zinc/47/79/87/350477987.db2.gz WSVGLWGDSQMCNY-NWDGAFQWSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628287922 350479207 /nfs/dbraw/zinc/47/92/07/350479207.db2.gz SMUBBYRVMUCNJY-NWDGAFQWSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628287922 350479208 /nfs/dbraw/zinc/47/92/08/350479208.db2.gz SMUBBYRVMUCNJY-NWDGAFQWSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC(F)(F)C1 ZINC000628339622 350505602 /nfs/dbraw/zinc/50/56/02/350505602.db2.gz RSCPWHMHOCFLGU-OCCSQVGLSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CC(F)(F)C1 ZINC000628339622 350505604 /nfs/dbraw/zinc/50/56/04/350505604.db2.gz RSCPWHMHOCFLGU-OCCSQVGLSA-N 2 1 286.410 3.417 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000271394613 191114751 /nfs/dbraw/zinc/11/47/51/191114751.db2.gz KKBRMVYURNPJJP-OAHLLOKOSA-N 2 1 275.440 3.161 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000629527108 350703077 /nfs/dbraw/zinc/70/30/77/350703077.db2.gz KDFASTCSQFBOKW-YYIAUSFCSA-N 2 1 272.436 3.299 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000629531173 350703728 /nfs/dbraw/zinc/70/37/28/350703728.db2.gz CISZDIXPXFKZPE-MRXNPFEDSA-N 2 1 275.440 3.217 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629538725 350706922 /nfs/dbraw/zinc/70/69/22/350706922.db2.gz KXSOJDLDRAKULB-NFAWXSAZSA-N 2 1 272.392 3.094 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000629592431 350715347 /nfs/dbraw/zinc/71/53/47/350715347.db2.gz CNCKHUZPSQUAGQ-ZACQAIPSSA-N 2 1 290.838 3.259 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629411184 350690211 /nfs/dbraw/zinc/69/02/11/350690211.db2.gz IKVJORINYNNMTA-KCQAQPDRSA-N 2 1 278.465 3.070 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000629418326 350691008 /nfs/dbraw/zinc/69/10/08/350691008.db2.gz WHMZWZFRQHAXGJ-NRSFXHEJSA-N 2 1 272.436 3.128 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629653744 350731427 /nfs/dbraw/zinc/73/14/27/350731427.db2.gz GADLTRHLZXKRKW-HYBGQWMJSA-N 2 1 298.352 3.159 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629653744 350731428 /nfs/dbraw/zinc/73/14/28/350731428.db2.gz GADLTRHLZXKRKW-HYBGQWMJSA-N 2 1 298.352 3.159 20 0 CGADMP CCSc1cccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629665240 350733439 /nfs/dbraw/zinc/73/34/39/350733439.db2.gz KCKSTFITIPTULS-CALCHBBNSA-N 2 1 290.476 3.230 20 0 CGADMP CCSc1cccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629665240 350733441 /nfs/dbraw/zinc/73/34/41/350733441.db2.gz KCKSTFITIPTULS-CALCHBBNSA-N 2 1 290.476 3.230 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(C)c1C ZINC000631047840 350936698 /nfs/dbraw/zinc/93/66/98/350936698.db2.gz VQKLGDCWGKMGDI-UHFFFAOYSA-N 2 1 263.410 3.050 20 0 CGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000631579372 351074957 /nfs/dbraw/zinc/07/49/57/351074957.db2.gz FIRGYBLBQRPTJG-HOTGVXAUSA-N 2 1 299.462 3.420 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)[C@@H]1CCC[NH3+] ZINC000631829680 351149336 /nfs/dbraw/zinc/14/93/36/351149336.db2.gz XKVNGTPTYOGNNE-HZSPNIEDSA-N 2 1 274.399 3.261 20 0 CGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887624 351151985 /nfs/dbraw/zinc/15/19/85/351151985.db2.gz SNOBWSDWOXBYGQ-UKRRQHHQSA-N 2 1 298.352 3.279 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc2ncccc12)C1CCCCC1 ZINC000634688370 351573465 /nfs/dbraw/zinc/57/34/65/351573465.db2.gz QKWCHQNBCDULSB-SFHVURJKSA-N 2 1 283.419 3.232 20 0 CGADMP CCC[N@@H+](Cc1cccc2ncccc12)C1CC[NH2+]CC1 ZINC000634688274 351573659 /nfs/dbraw/zinc/57/36/59/351573659.db2.gz NMYJBOUXRSZSAB-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)[C@H]1CC[NH3+] ZINC000634688411 351573996 /nfs/dbraw/zinc/57/39/96/351573996.db2.gz ROSKRQUBYMWPII-KSSFIOAISA-N 2 1 283.419 3.184 20 0 CGADMP CC(C)C[N@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCCc2cccnc21 ZINC000634994925 351619332 /nfs/dbraw/zinc/61/93/32/351619332.db2.gz QEZMFBLRWARQMA-RMXPPQQLSA-N 2 1 299.462 3.169 20 0 CGADMP CC(C)C[N@@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCCc2cccnc21 ZINC000634994925 351619335 /nfs/dbraw/zinc/61/93/35/351619335.db2.gz QEZMFBLRWARQMA-RMXPPQQLSA-N 2 1 299.462 3.169 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000339844407 215360536 /nfs/dbraw/zinc/36/05/36/215360536.db2.gz YATHDPCIBYVSLD-FUHWJXTLSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000339844407 215360538 /nfs/dbraw/zinc/36/05/38/215360538.db2.gz YATHDPCIBYVSLD-FUHWJXTLSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000339844407 215360541 /nfs/dbraw/zinc/36/05/41/215360541.db2.gz YATHDPCIBYVSLD-FUHWJXTLSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C)CC2)c(C)c1 ZINC000291770944 198086716 /nfs/dbraw/zinc/08/67/16/198086716.db2.gz SUAKWIDCMBVTGY-UHFFFAOYSA-N 2 1 274.452 3.265 20 0 CGADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000122788371 187051702 /nfs/dbraw/zinc/05/17/02/187051702.db2.gz AVLUKLVFLYIXOH-LISAXSMJSA-N 2 1 290.451 3.081 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1(C)CC1 ZINC000122803147 187052850 /nfs/dbraw/zinc/05/28/50/187052850.db2.gz BIEXYSZEQWUBJA-OAHLLOKOSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1(C)CC1 ZINC000122803147 187052851 /nfs/dbraw/zinc/05/28/51/187052851.db2.gz BIEXYSZEQWUBJA-OAHLLOKOSA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123508197 187095888 /nfs/dbraw/zinc/09/58/88/187095888.db2.gz UNYBLNUPVSINBJ-NVXWUHKLSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123508197 187095889 /nfs/dbraw/zinc/09/58/89/187095889.db2.gz UNYBLNUPVSINBJ-NVXWUHKLSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123508197 187095890 /nfs/dbraw/zinc/09/58/90/187095890.db2.gz UNYBLNUPVSINBJ-NVXWUHKLSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123508197 187095891 /nfs/dbraw/zinc/09/58/91/187095891.db2.gz UNYBLNUPVSINBJ-NVXWUHKLSA-N 2 1 290.451 3.388 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)oc3ccccc32)C1 ZINC000123570802 187099371 /nfs/dbraw/zinc/09/93/71/187099371.db2.gz TXBRFHQFWQVPDB-CQSZACIVSA-N 2 1 272.392 3.173 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363795105 234000097 /nfs/dbraw/zinc/00/00/97/234000097.db2.gz YAQWVBKLJJIQKW-DJIMGWMZSA-N 2 1 290.426 3.363 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cnccc2C)CC1 ZINC000271559101 191213421 /nfs/dbraw/zinc/21/34/21/191213421.db2.gz NTOXTZVSZQVLPA-OAHLLOKOSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000271621676 191246126 /nfs/dbraw/zinc/24/61/26/191246126.db2.gz YPNARRYBNLUBCL-HZPDHXFCSA-N 2 1 275.440 3.161 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292259014 198220823 /nfs/dbraw/zinc/22/08/23/198220823.db2.gz YKSDUJANEQPKLK-GOSISDBHSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292259014 198220825 /nfs/dbraw/zinc/22/08/25/198220825.db2.gz YKSDUJANEQPKLK-GOSISDBHSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292259014 198220826 /nfs/dbraw/zinc/22/08/26/198220826.db2.gz YKSDUJANEQPKLK-GOSISDBHSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292259014 198220828 /nfs/dbraw/zinc/22/08/28/198220828.db2.gz YKSDUJANEQPKLK-GOSISDBHSA-N 2 1 288.435 3.001 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000369037120 234352994 /nfs/dbraw/zinc/35/29/94/234352994.db2.gz VOYSBFPIMUCTRJ-UHFFFAOYSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000369037120 234352998 /nfs/dbraw/zinc/35/29/98/234352998.db2.gz VOYSBFPIMUCTRJ-UHFFFAOYSA-N 2 1 291.439 3.005 20 0 CGADMP Fc1cccc(F)c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420380967 283014685 /nfs/dbraw/zinc/01/46/85/283014685.db2.gz XDYQNWALRUHUDF-ZDUSSCGKSA-N 2 1 294.389 3.319 20 0 CGADMP Fc1cccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359227287 283017373 /nfs/dbraw/zinc/01/73/73/283017373.db2.gz WGNAXNOPZMEVDR-QGZVFWFLSA-N 2 1 276.399 3.352 20 0 CGADMP Fc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459558429 283018662 /nfs/dbraw/zinc/01/86/62/283018662.db2.gz ACXGEFRIDNQWEB-SFHVURJKSA-N 2 1 288.410 3.420 20 0 CGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)c1cc(C)[nH+]c(C)n1 ZINC000189333201 542252927 /nfs/dbraw/zinc/25/29/27/542252927.db2.gz MBKKNODZLGCTEG-UHFFFAOYSA-N 2 1 298.434 3.182 20 0 CGADMP CSCC[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411342004 235049197 /nfs/dbraw/zinc/04/91/97/235049197.db2.gz DVKKYZHCBKQCQJ-UHFFFAOYSA-N 2 1 292.492 3.467 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000414183168 235357218 /nfs/dbraw/zinc/35/72/18/235357218.db2.gz NPTFPFIBSOTCEO-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191355 235358802 /nfs/dbraw/zinc/35/88/02/235358802.db2.gz SKLVSIFFRAWFAO-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000414201172 235363007 /nfs/dbraw/zinc/36/30/07/235363007.db2.gz YFQKULXRBOROJM-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420332243 235742440 /nfs/dbraw/zinc/74/24/40/235742440.db2.gz RQJILPFBNNURHI-HZPDHXFCSA-N 2 1 278.465 3.002 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1nccs1 ZINC000106249961 138353993 /nfs/dbraw/zinc/35/39/93/138353993.db2.gz YKWWUYLZUYZTNS-GFCCVEGCSA-N 2 1 275.421 3.056 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000111695862 138364676 /nfs/dbraw/zinc/36/46/76/138364676.db2.gz MCGXYXWBIGNKRV-WCQYABFASA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000111695862 138364677 /nfs/dbraw/zinc/36/46/77/138364677.db2.gz MCGXYXWBIGNKRV-WCQYABFASA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422770707 235915975 /nfs/dbraw/zinc/91/59/75/235915975.db2.gz XAIZGXWKQSLTMU-VXGBXAGGSA-N 2 1 275.421 3.026 20 0 CGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423258063 236012229 /nfs/dbraw/zinc/01/22/29/236012229.db2.gz AWYBWYOIPSCYFI-IIAWOOMASA-N 2 1 278.440 3.150 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423263602 236013505 /nfs/dbraw/zinc/01/35/05/236013505.db2.gz BDNCYZHGZSUGAM-SMDDNHRTSA-N 2 1 252.427 3.042 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423263599 236013540 /nfs/dbraw/zinc/01/35/40/236013540.db2.gz BDNCYZHGZSUGAM-BXUZGUMPSA-N 2 1 252.427 3.042 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1C(C)(C)C ZINC000423322705 236038352 /nfs/dbraw/zinc/03/83/52/236038352.db2.gz OGWNFLFTMBZOPW-BLLLJJGKSA-N 2 1 260.425 3.372 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423327718 236039953 /nfs/dbraw/zinc/03/99/53/236039953.db2.gz NRPQBEGLSLLFCT-NXEZZACHSA-N 2 1 274.380 3.042 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000423337750 236043168 /nfs/dbraw/zinc/04/31/68/236043168.db2.gz VLXUSXCVRYDHJH-NEPJUHHUSA-N 2 1 260.406 3.413 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423342197 236044136 /nfs/dbraw/zinc/04/41/36/236044136.db2.gz YLXZFHNHAZWOCU-QMTHXVAHSA-N 2 1 252.789 3.118 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000423393913 236062086 /nfs/dbraw/zinc/06/20/86/236062086.db2.gz MKECPIMQVSGMGH-MBNYWOFBSA-N 2 1 298.377 3.245 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423364560 236051912 /nfs/dbraw/zinc/05/19/12/236051912.db2.gz CJRYVBHDJZKXIA-HZMBPMFUSA-N 2 1 252.789 3.118 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423373795 236053619 /nfs/dbraw/zinc/05/36/19/236053619.db2.gz SGMXEFFPMDDUFF-GUBZILKMSA-N 2 1 291.222 3.086 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)no1 ZINC000423503236 236088044 /nfs/dbraw/zinc/08/80/44/236088044.db2.gz FXABNCDNWPCIDY-UKRRQHHQSA-N 2 1 273.380 3.114 20 0 CGADMP C[C@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424372837 236158164 /nfs/dbraw/zinc/15/81/64/236158164.db2.gz FYHCSWNWLNSOGI-HZPDHXFCSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427896028 236352977 /nfs/dbraw/zinc/35/29/77/236352977.db2.gz UYJQBKMJGFYOTG-CRAIPNDOSA-N 2 1 292.442 3.468 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000294707209 199145040 /nfs/dbraw/zinc/14/50/40/199145040.db2.gz BDJRJZIOSNGDKU-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP Cc1sccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000294912006 199244102 /nfs/dbraw/zinc/24/41/02/199244102.db2.gz NJZHCWMZMCBMMA-UHFFFAOYSA-N 2 1 266.454 3.361 20 0 CGADMP Cc1sccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000294912006 199244103 /nfs/dbraw/zinc/24/41/03/199244103.db2.gz NJZHCWMZMCBMMA-UHFFFAOYSA-N 2 1 266.454 3.361 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCOc2cccc(Cl)c2)CC[N@@H+]1C ZINC000177061580 189025327 /nfs/dbraw/zinc/02/53/27/189025327.db2.gz BETZRYKDNLDWRV-DZGCQCFKSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCOc2cccc(Cl)c2)CC[N@H+]1C ZINC000177061580 189025328 /nfs/dbraw/zinc/02/53/28/189025328.db2.gz BETZRYKDNLDWRV-DZGCQCFKSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCOc2cccc(Cl)c2)CC[NH+]1C ZINC000177061580 189025329 /nfs/dbraw/zinc/02/53/29/189025329.db2.gz BETZRYKDNLDWRV-DZGCQCFKSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2cccc(Cl)c2)CC[NH+]1C ZINC000177061580 189025330 /nfs/dbraw/zinc/02/53/30/189025330.db2.gz BETZRYKDNLDWRV-DZGCQCFKSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000177271229 189040667 /nfs/dbraw/zinc/04/06/67/189040667.db2.gz LAOXERNSTGLUDR-UONOGXRCSA-N 2 1 278.465 3.348 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000177271229 189040668 /nfs/dbraw/zinc/04/06/68/189040668.db2.gz LAOXERNSTGLUDR-UONOGXRCSA-N 2 1 278.465 3.348 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000341969462 216170143 /nfs/dbraw/zinc/17/01/43/216170143.db2.gz PDTZYPMJLHSMCL-LALPHHSUSA-N 2 1 296.455 3.366 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000341969462 216170146 /nfs/dbraw/zinc/17/01/46/216170146.db2.gz PDTZYPMJLHSMCL-LALPHHSUSA-N 2 1 296.455 3.366 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000178707046 189138627 /nfs/dbraw/zinc/13/86/27/189138627.db2.gz ULQFNCYPKZLXQF-CABCVRRESA-N 2 1 271.408 3.487 20 0 CGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178974422 189159223 /nfs/dbraw/zinc/15/92/23/189159223.db2.gz DBKGMIYSJUGMOM-BBRMVZONSA-N 2 1 276.399 3.003 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC000342113992 216223667 /nfs/dbraw/zinc/22/36/67/216223667.db2.gz WOPRLZCTHJXVEH-BZUAXINKSA-N 2 1 250.430 3.016 20 0 CGADMP Clc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000299366616 200698309 /nfs/dbraw/zinc/69/83/09/200698309.db2.gz XBJOOKDDJILKAD-UHFFFAOYSA-N 2 1 278.827 3.447 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000342172947 216245448 /nfs/dbraw/zinc/24/54/48/216245448.db2.gz SJESKJFLRZZFFK-CYBMUJFWSA-N 2 1 252.789 3.262 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000180405244 189253767 /nfs/dbraw/zinc/25/37/67/189253767.db2.gz MIQDLYDIVJIEDP-GFCCVEGCSA-N 2 1 281.831 3.258 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCc2cccc(F)c2)CC[N@@H+]1C ZINC000182824616 189336234 /nfs/dbraw/zinc/33/62/34/189336234.db2.gz NZZDSVLJWPIUGV-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCc2cccc(F)c2)CC[N@H+]1C ZINC000182824616 189336235 /nfs/dbraw/zinc/33/62/35/189336235.db2.gz NZZDSVLJWPIUGV-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCc2cccc(F)c2)CC[NH+]1C ZINC000182824616 189336236 /nfs/dbraw/zinc/33/62/36/189336236.db2.gz NZZDSVLJWPIUGV-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2cccc(F)c2)CC[NH+]1C ZINC000182824616 189336237 /nfs/dbraw/zinc/33/62/37/189336237.db2.gz NZZDSVLJWPIUGV-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP Cc1cc[nH+]c(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000301619571 201100100 /nfs/dbraw/zinc/10/01/00/201100100.db2.gz CCVYKMLUVAGLSY-GJZGRUSLSA-N 2 1 261.413 3.170 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000449064701 239154375 /nfs/dbraw/zinc/15/43/75/239154375.db2.gz WCCKGZBQPDXNDT-OAHLLOKOSA-N 2 1 278.440 3.455 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000449072689 239158504 /nfs/dbraw/zinc/15/85/04/239158504.db2.gz KVBVZSYABCPNEP-HGTKMLMNSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC(C)(C)C ZINC000449161843 239212828 /nfs/dbraw/zinc/21/28/28/239212828.db2.gz HCNBDGNKGRDYIJ-ZDUSSCGKSA-N 2 1 251.418 3.386 20 0 CGADMP CC1=CC[N@H+](CCNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000302148728 201367641 /nfs/dbraw/zinc/36/76/41/201367641.db2.gz KOENDMVUMYUDEX-UHFFFAOYSA-N 2 1 285.366 3.438 20 0 CGADMP CC1=CC[N@@H+](CCNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000302148728 201367645 /nfs/dbraw/zinc/36/76/45/201367645.db2.gz KOENDMVUMYUDEX-UHFFFAOYSA-N 2 1 285.366 3.438 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000336353435 213201739 /nfs/dbraw/zinc/20/17/39/213201739.db2.gz NLJYOSIYZUQZBC-LSDHHAIUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000336353435 213201740 /nfs/dbraw/zinc/20/17/40/213201740.db2.gz NLJYOSIYZUQZBC-LSDHHAIUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1CC(C)C ZINC000120138514 370740696 /nfs/dbraw/zinc/74/06/96/370740696.db2.gz DNTFWARZTOKMDL-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000120138514 370740700 /nfs/dbraw/zinc/74/07/00/370740700.db2.gz DNTFWARZTOKMDL-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537977565 288556677 /nfs/dbraw/zinc/55/66/77/288556677.db2.gz MLUYBYXVYRBZGL-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ccc2c(C)cc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)nc2c1 ZINC000450822542 240101178 /nfs/dbraw/zinc/10/11/78/240101178.db2.gz BHPIQNATURCDLM-MQVJKMGUSA-N 2 1 295.430 3.311 20 0 CGADMP Cc1ccc2c(C)cc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)[nH+]c2c1 ZINC000450822542 240101183 /nfs/dbraw/zinc/10/11/83/240101183.db2.gz BHPIQNATURCDLM-MQVJKMGUSA-N 2 1 295.430 3.311 20 0 CGADMP Cc1ccc2c(C)cc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)[nH+]c2c1 ZINC000450822542 240101187 /nfs/dbraw/zinc/10/11/87/240101187.db2.gz BHPIQNATURCDLM-MQVJKMGUSA-N 2 1 295.430 3.311 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451853353 240369526 /nfs/dbraw/zinc/36/95/26/240369526.db2.gz LLTLTEQJNDESJT-INIZCTEOSA-N 2 1 285.391 3.402 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451853353 240369528 /nfs/dbraw/zinc/36/95/28/240369528.db2.gz LLTLTEQJNDESJT-INIZCTEOSA-N 2 1 285.391 3.402 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000120777356 370799260 /nfs/dbraw/zinc/79/92/60/370799260.db2.gz YNSIEWFGWGUIFM-HNNXBMFYSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000120777356 370799264 /nfs/dbraw/zinc/79/92/64/370799264.db2.gz YNSIEWFGWGUIFM-HNNXBMFYSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275523172 193066337 /nfs/dbraw/zinc/06/63/37/193066337.db2.gz LFQZSNKLPBPBIO-LSDHHAIUSA-N 2 1 269.392 3.105 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275607569 193085114 /nfs/dbraw/zinc/08/51/14/193085114.db2.gz QVEVUBPEGVKMMP-MOPGFXCFSA-N 2 1 284.447 3.249 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000121422180 370859933 /nfs/dbraw/zinc/85/99/33/370859933.db2.gz FERRHEDNUGXGEM-HNAYVOBHSA-N 2 1 297.446 3.439 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553254 242129665 /nfs/dbraw/zinc/12/96/65/242129665.db2.gz XLXJOSNHGUFSDC-OALUTQOASA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553254 242129673 /nfs/dbraw/zinc/12/96/73/242129673.db2.gz XLXJOSNHGUFSDC-OALUTQOASA-N 2 1 284.447 3.480 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C1CC(C)(C)C1 ZINC000459737573 242201986 /nfs/dbraw/zinc/20/19/86/242201986.db2.gz RMKDCHKQRBQDHJ-UHFFFAOYSA-N 2 1 284.407 3.196 20 0 CGADMP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Cl ZINC000462820426 242366913 /nfs/dbraw/zinc/36/69/13/242366913.db2.gz VNQQLGDRTXYQHR-ZFWWWQNUSA-N 2 1 280.843 3.263 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)C[NH+]1CCCCCC1)CC1CCOCC1 ZINC000479581468 243112108 /nfs/dbraw/zinc/11/21/08/243112108.db2.gz ICNLIMHIYNWGSJ-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698073 243120649 /nfs/dbraw/zinc/12/06/49/243120649.db2.gz ASPUOUZXNLKBNN-LPHOPBHVSA-N 2 1 286.463 3.329 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000481577103 243196950 /nfs/dbraw/zinc/19/69/50/243196950.db2.gz SHKJSWGISHTPCD-FQLMCAECSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000481577103 243196952 /nfs/dbraw/zinc/19/69/52/243196952.db2.gz SHKJSWGISHTPCD-FQLMCAECSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+](CC[NH2+][C@H](Cc1ccccc1)C1CC1)C1CCCC1 ZINC000482555225 243233373 /nfs/dbraw/zinc/23/33/73/243233373.db2.gz HWKKFDLSNNPROD-LJQANCHMSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@@H+](CC[NH2+][C@H](Cc1ccccc1)C1CC1)C1CCCC1 ZINC000482555225 243233382 /nfs/dbraw/zinc/23/33/82/243233382.db2.gz HWKKFDLSNNPROD-LJQANCHMSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908182 369037469 /nfs/dbraw/zinc/03/74/69/369037469.db2.gz IXDJTMHCCFPVMH-MBNYWOFBSA-N 2 1 298.377 3.106 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908182 369037474 /nfs/dbraw/zinc/03/74/74/369037474.db2.gz IXDJTMHCCFPVMH-MBNYWOFBSA-N 2 1 298.377 3.106 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000035009794 368988091 /nfs/dbraw/zinc/98/80/91/368988091.db2.gz WBSSNLWNVXNEQB-AWEZNQCLSA-N 2 1 260.425 3.384 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000035015365 368989848 /nfs/dbraw/zinc/98/98/48/368989848.db2.gz LXHBDKRBERKRRA-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037141026 369067796 /nfs/dbraw/zinc/06/77/96/369067796.db2.gz FIWCNVRQDPTAOK-KRWDZBQOSA-N 2 1 258.409 3.354 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037648866 369095139 /nfs/dbraw/zinc/09/51/39/369095139.db2.gz RQRJZADIWUZDCW-GJZGRUSLSA-N 2 1 258.409 3.130 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)o1 ZINC000037648961 369095732 /nfs/dbraw/zinc/09/57/32/369095732.db2.gz PIELYJYXQPGWCS-OCCSQVGLSA-N 2 1 262.397 3.031 20 0 CGADMP Cc1cccc(NCCC[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000037670551 369099232 /nfs/dbraw/zinc/09/92/32/369099232.db2.gz REECWYLIZNMJCL-UHFFFAOYSA-N 2 1 269.392 3.324 20 0 CGADMP C(=C\c1ccncc1)\C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000494933797 244334494 /nfs/dbraw/zinc/33/44/94/244334494.db2.gz VYPIGVGWHGPZKP-AJNOYIKESA-N 2 1 285.435 3.045 20 0 CGADMP C(=C\c1ccncc1)\C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000494933797 244334497 /nfs/dbraw/zinc/33/44/97/244334497.db2.gz VYPIGVGWHGPZKP-AJNOYIKESA-N 2 1 285.435 3.045 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553322 369409344 /nfs/dbraw/zinc/40/93/44/369409344.db2.gz DVZFTNWUJIGQJZ-KBPBESRZSA-N 2 1 264.413 3.076 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000128581725 370963946 /nfs/dbraw/zinc/96/39/46/370963946.db2.gz PRFNQYUFJLRRDO-QGZVFWFLSA-N 2 1 276.399 3.277 20 0 CGADMP Cc1cc[nH+]c(NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000276265020 193263296 /nfs/dbraw/zinc/26/32/96/193263296.db2.gz GFZQNJBCLOBGQK-UHFFFAOYSA-N 2 1 269.392 3.106 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000069754005 369769404 /nfs/dbraw/zinc/76/94/04/369769404.db2.gz FQWZKVGXVIGPKX-UHFFFAOYSA-N 2 1 297.324 3.390 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000069753987 369769874 /nfs/dbraw/zinc/76/98/74/369769874.db2.gz TVBCQOWPDUXODL-UHFFFAOYSA-N 2 1 263.772 3.025 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000070149701 369781722 /nfs/dbraw/zinc/78/17/22/369781722.db2.gz NBSBHQMENNKPNP-OAHLLOKOSA-N 2 1 285.391 3.045 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000070149701 369781726 /nfs/dbraw/zinc/78/17/26/369781726.db2.gz NBSBHQMENNKPNP-OAHLLOKOSA-N 2 1 285.391 3.045 20 0 CGADMP CCSCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109923 369930003 /nfs/dbraw/zinc/93/00/03/369930003.db2.gz RETHKNOCCJMRCO-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP CCSCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109923 369930010 /nfs/dbraw/zinc/93/00/10/369930010.db2.gz RETHKNOCCJMRCO-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP CCSCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109923 369930016 /nfs/dbraw/zinc/93/00/16/369930016.db2.gz RETHKNOCCJMRCO-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446320 369938521 /nfs/dbraw/zinc/93/85/21/369938521.db2.gz GPUDOUGIACIZBB-SFHVURJKSA-N 2 1 298.405 3.437 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2sc(C)nc2C)CC1 ZINC000076867840 369944197 /nfs/dbraw/zinc/94/41/97/369944197.db2.gz VTLPLUMDMULSSX-UHFFFAOYSA-N 2 1 281.469 3.114 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000090720539 370064801 /nfs/dbraw/zinc/06/48/01/370064801.db2.gz SOFFHQBGACKZMS-HOCLYGCPSA-N 2 1 276.424 3.046 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CC[N@H+]1C ZINC000090721206 370067120 /nfs/dbraw/zinc/06/71/20/370067120.db2.gz CNSBBWBBFIWYBW-YOEHRIQHSA-N 2 1 268.404 3.412 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091895229 370077737 /nfs/dbraw/zinc/07/77/37/370077737.db2.gz BLFOPQYKBOHELX-UHFFFAOYSA-N 2 1 287.382 3.169 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091895229 370077739 /nfs/dbraw/zinc/07/77/39/370077739.db2.gz BLFOPQYKBOHELX-UHFFFAOYSA-N 2 1 287.382 3.169 20 0 CGADMP C[N@H+](Cc1coc2ccccc12)CC1CC[NH+](C)CC1 ZINC000093088777 370108182 /nfs/dbraw/zinc/10/81/82/370108182.db2.gz BIEPVKFJXJWUNM-UHFFFAOYSA-N 2 1 272.392 3.206 20 0 CGADMP COc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564056 370142577 /nfs/dbraw/zinc/14/25/77/370142577.db2.gz ADRNOZALMKRMCN-KRWDZBQOSA-N 2 1 288.435 3.146 20 0 CGADMP COc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564056 370142579 /nfs/dbraw/zinc/14/25/79/370142579.db2.gz ADRNOZALMKRMCN-KRWDZBQOSA-N 2 1 288.435 3.146 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cs1 ZINC000093564143 370143081 /nfs/dbraw/zinc/14/30/81/370143081.db2.gz MDTKMKXJNHCCNC-HNNXBMFYSA-N 2 1 264.438 3.198 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cs1 ZINC000093564143 370143089 /nfs/dbraw/zinc/14/30/89/370143089.db2.gz MDTKMKXJNHCCNC-HNNXBMFYSA-N 2 1 264.438 3.198 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)o1 ZINC000093639077 370149942 /nfs/dbraw/zinc/14/99/42/370149942.db2.gz VFLHHPMNNVMBJQ-BBRMVZONSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)o1 ZINC000093639077 370149946 /nfs/dbraw/zinc/14/99/46/370149946.db2.gz VFLHHPMNNVMBJQ-BBRMVZONSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)o1 ZINC000093639077 370149950 /nfs/dbraw/zinc/14/99/50/370149950.db2.gz VFLHHPMNNVMBJQ-BBRMVZONSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)o1 ZINC000093639077 370149953 /nfs/dbraw/zinc/14/99/53/370149953.db2.gz VFLHHPMNNVMBJQ-BBRMVZONSA-N 2 1 264.413 3.004 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000097602879 370248056 /nfs/dbraw/zinc/24/80/56/370248056.db2.gz GKAOKNOQWHSDCA-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000104095500 370337072 /nfs/dbraw/zinc/33/70/72/370337072.db2.gz CKUHCUNQXUVTBZ-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000104095500 370337077 /nfs/dbraw/zinc/33/70/77/370337077.db2.gz CKUHCUNQXUVTBZ-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000104095500 370337082 /nfs/dbraw/zinc/33/70/82/370337082.db2.gz CKUHCUNQXUVTBZ-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cnccn1 ZINC000114538117 370505627 /nfs/dbraw/zinc/50/56/27/370505627.db2.gz LZXINWSPORGUSV-OAHLLOKOSA-N 2 1 298.434 3.169 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)[C@@H]2CCC[C@H]21 ZINC000513691196 245092152 /nfs/dbraw/zinc/09/21/52/245092152.db2.gz SLHWCPVSCNDXDX-MELADBBJSA-N 2 1 298.883 3.406 20 0 CGADMP CC(C)OCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113997860 370489013 /nfs/dbraw/zinc/48/90/13/370489013.db2.gz ZQMRWPOEHSDYBN-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)OCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113997860 370489017 /nfs/dbraw/zinc/48/90/17/370489017.db2.gz ZQMRWPOEHSDYBN-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)OCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113997860 370489021 /nfs/dbraw/zinc/48/90/21/370489021.db2.gz ZQMRWPOEHSDYBN-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP COCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118002899 370604220 /nfs/dbraw/zinc/60/42/20/370604220.db2.gz SJGCKPAQPFPXLB-QGZVFWFLSA-N 2 1 282.472 3.001 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000131738957 371126975 /nfs/dbraw/zinc/12/69/75/371126975.db2.gz DOSDGTXNXXVGER-DZGCQCFKSA-N 2 1 254.377 3.009 20 0 CGADMP Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132017081 371146247 /nfs/dbraw/zinc/14/62/47/371146247.db2.gz PFLAMILJNIMGLT-IAGOWNOFSA-N 2 1 252.361 3.229 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccccc43)CC[C@@H]21 ZINC000133522967 371259105 /nfs/dbraw/zinc/25/91/05/371259105.db2.gz QMFGMQBKWGEROZ-PBHICJAKSA-N 2 1 281.403 3.155 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000133392649 371248426 /nfs/dbraw/zinc/24/84/26/371248426.db2.gz LTFKNZINVREZIA-CQSZACIVSA-N 2 1 272.795 3.284 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000133392649 371248430 /nfs/dbraw/zinc/24/84/30/371248430.db2.gz LTFKNZINVREZIA-CQSZACIVSA-N 2 1 272.795 3.284 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000133561004 371262379 /nfs/dbraw/zinc/26/23/79/371262379.db2.gz RQDRZRCRXJDVNC-WMZOPIPTSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000537852090 376204987 /nfs/dbraw/zinc/20/49/87/376204987.db2.gz UMLHTOPBCOOWFJ-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccnc2C)CC1 ZINC000134171367 371309339 /nfs/dbraw/zinc/30/93/39/371309339.db2.gz KWBCHJWJKFNTAP-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000134758599 371362848 /nfs/dbraw/zinc/36/28/48/371362848.db2.gz LYVIAEMMNSEDGP-MRXNPFEDSA-N 2 1 272.436 3.178 20 0 CGADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000134758599 371362855 /nfs/dbraw/zinc/36/28/55/371362855.db2.gz LYVIAEMMNSEDGP-MRXNPFEDSA-N 2 1 272.436 3.178 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000136480116 371477576 /nfs/dbraw/zinc/47/75/76/371477576.db2.gz IFVJHDIALSONTJ-OAHLLOKOSA-N 2 1 278.440 3.035 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000136480116 371477580 /nfs/dbraw/zinc/47/75/80/371477580.db2.gz IFVJHDIALSONTJ-OAHLLOKOSA-N 2 1 278.440 3.035 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000149920434 371530849 /nfs/dbraw/zinc/53/08/49/371530849.db2.gz OPDKMRGMKYPYJX-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344033820 217020096 /nfs/dbraw/zinc/02/00/96/217020096.db2.gz FWEBQQWTQLZKPP-INIZCTEOSA-N 2 1 261.413 3.260 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CC=CCC1 ZINC000344033820 217020099 /nfs/dbraw/zinc/02/00/99/217020099.db2.gz FWEBQQWTQLZKPP-INIZCTEOSA-N 2 1 261.413 3.260 20 0 CGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccccc2F)C1 ZINC000151094011 371565514 /nfs/dbraw/zinc/56/55/14/371565514.db2.gz HVRDHBIGCQTBKD-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000151094011 371565522 /nfs/dbraw/zinc/56/55/22/371565522.db2.gz HVRDHBIGCQTBKD-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000151094011 371565528 /nfs/dbraw/zinc/56/55/28/371565528.db2.gz HVRDHBIGCQTBKD-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000151098917 371568859 /nfs/dbraw/zinc/56/88/59/371568859.db2.gz JZUFSIXKVBFNIX-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000151098917 371568867 /nfs/dbraw/zinc/56/88/67/371568867.db2.gz JZUFSIXKVBFNIX-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000151120413 371571577 /nfs/dbraw/zinc/57/15/77/371571577.db2.gz GISOCTOOQAOKDS-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000151120413 371571582 /nfs/dbraw/zinc/57/15/82/371571582.db2.gz GISOCTOOQAOKDS-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421817748 371640844 /nfs/dbraw/zinc/64/08/44/371640844.db2.gz WTBGUKFJGFKGNI-LBPRGKRZSA-N 2 1 298.833 3.484 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2OC)C1 ZINC000421822453 371645150 /nfs/dbraw/zinc/64/51/50/371645150.db2.gz XBHXYKFDIORHJI-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2OC)C1 ZINC000421822453 371645155 /nfs/dbraw/zinc/64/51/55/371645155.db2.gz XBHXYKFDIORHJI-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP Cc1sc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)nc1C(C)C ZINC000422702655 371760167 /nfs/dbraw/zinc/76/01/67/371760167.db2.gz FPFIAWLCFYIOPC-WCQYABFASA-N 2 1 281.469 3.053 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422733647 371773262 /nfs/dbraw/zinc/77/32/62/371773262.db2.gz BQGDWNZIOLHYEA-KZNAEPCWSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422733647 371773268 /nfs/dbraw/zinc/77/32/68/371773268.db2.gz BQGDWNZIOLHYEA-KZNAEPCWSA-N 3 1 295.515 3.007 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422733647 371773273 /nfs/dbraw/zinc/77/32/73/371773273.db2.gz BQGDWNZIOLHYEA-KZNAEPCWSA-N 3 1 295.515 3.007 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422736559 371774682 /nfs/dbraw/zinc/77/46/82/371774682.db2.gz GNYYGPGUOVOHTG-QZTJIDSGSA-N 2 1 296.414 3.498 20 0 CGADMP C[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc(F)cc1 ZINC000422738526 371776611 /nfs/dbraw/zinc/77/66/11/371776611.db2.gz JQGZRXJPHNFAGW-NWDGAFQWSA-N 2 1 273.355 3.088 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nccc2ccccc21 ZINC000289629701 371777572 /nfs/dbraw/zinc/77/75/72/371777572.db2.gz HFNXMHWROOIHMZ-AWEZNQCLSA-N 2 1 285.435 3.473 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC000353338794 220032926 /nfs/dbraw/zinc/03/29/26/220032926.db2.gz USZYPRQMAMQKED-RHSMWYFYSA-N 2 1 293.430 3.239 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC000353338794 220032928 /nfs/dbraw/zinc/03/29/28/220032928.db2.gz USZYPRQMAMQKED-RHSMWYFYSA-N 2 1 293.430 3.239 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000337340589 214017613 /nfs/dbraw/zinc/01/76/13/214017613.db2.gz TYPNMQVUKCLELZ-UHFFFAOYSA-N 2 1 270.367 3.129 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000337340589 214017616 /nfs/dbraw/zinc/01/76/16/214017616.db2.gz TYPNMQVUKCLELZ-UHFFFAOYSA-N 2 1 270.367 3.129 20 0 CGADMP CCOc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422815382 371827626 /nfs/dbraw/zinc/82/76/26/371827626.db2.gz XOWOQINTNODGBF-YOEHRIQHSA-N 2 1 290.451 3.370 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422858059 371843298 /nfs/dbraw/zinc/84/32/98/371843298.db2.gz ZMRQDSCATAMGJA-KBPBESRZSA-N 2 1 269.392 3.339 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422877528 371850365 /nfs/dbraw/zinc/85/03/65/371850365.db2.gz HZAASFBOOACFJE-LSDHHAIUSA-N 2 1 264.438 3.158 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)ccc1F ZINC000422918938 371870230 /nfs/dbraw/zinc/87/02/30/371870230.db2.gz JBCWFOMGLZEIHM-SWLSCSKDSA-N 2 1 268.351 3.148 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423052391 371935882 /nfs/dbraw/zinc/93/58/82/371935882.db2.gz QLXIQBCANKKJOG-JOQOYGCGSA-N 2 1 297.402 3.065 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000422980052 371899152 /nfs/dbraw/zinc/89/91/52/371899152.db2.gz OPEYXKWVEQAKLH-CEXWTWQISA-N 2 1 296.414 3.235 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000422981394 371901555 /nfs/dbraw/zinc/90/15/55/371901555.db2.gz SOPHDQUSBRPKJY-BPQIPLTHSA-N 2 1 289.467 3.243 20 0 CGADMP COCCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCCCC1 ZINC000423065337 371943146 /nfs/dbraw/zinc/94/31/46/371943146.db2.gz UDIOMGOVUQPPRY-AWEZNQCLSA-N 2 1 291.439 3.132 20 0 CGADMP CC[C@H](CSc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423005277 371911559 /nfs/dbraw/zinc/91/15/59/371911559.db2.gz RBFMBVOXOQYYBI-FMKPAKJESA-N 2 1 278.465 3.287 20 0 CGADMP COc1cc(F)cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423016153 371916253 /nfs/dbraw/zinc/91/62/53/371916253.db2.gz MAZOHRRIPZWLEV-CZUORRHYSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423020676 371918204 /nfs/dbraw/zinc/91/82/04/371918204.db2.gz COOIUQSLVLLFPT-GFOFROLCSA-N 2 1 258.409 3.040 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000290172527 371920115 /nfs/dbraw/zinc/92/01/15/371920115.db2.gz MVBVAYUYDQBCQM-GUYCJALGSA-N 2 1 287.407 3.256 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]1 ZINC000423022944 371920367 /nfs/dbraw/zinc/92/03/67/371920367.db2.gz ISDZXAQGXXKSOX-WFASDCNBSA-N 2 1 278.827 3.102 20 0 CGADMP Cn1c2ccc(N[C@H]3CCC[C@H]3[NH3+])cc2[nH+]c1C(C)(C)C ZINC000423037123 371928265 /nfs/dbraw/zinc/92/82/65/371928265.db2.gz BCHHWYQQZYJAJA-OLZOCXBDSA-N 2 1 286.423 3.163 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000423044547 371929441 /nfs/dbraw/zinc/92/94/41/371929441.db2.gz BHDSTQKXRSSEBU-KBPBESRZSA-N 2 1 268.351 3.374 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000423093602 371957887 /nfs/dbraw/zinc/95/78/87/371957887.db2.gz IEBVOTACVZZPSQ-OEUWWYETSA-N 2 1 276.399 3.049 20 0 CGADMP C[N@H+]1CC[C@H]2CCN(C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306027 371959907 /nfs/dbraw/zinc/95/99/07/371959907.db2.gz IIJSZRPZFSYEKG-YICQSFOJSA-N 2 1 292.373 3.004 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3(C)CCCC3)sc2C1 ZINC000344129900 217063137 /nfs/dbraw/zinc/06/31/37/217063137.db2.gz VGDCLFPWGILDPL-UHFFFAOYSA-N 2 1 293.480 3.332 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3(C)CCCC3)sc2C1 ZINC000344129900 217063138 /nfs/dbraw/zinc/06/31/38/217063138.db2.gz VGDCLFPWGILDPL-UHFFFAOYSA-N 2 1 293.480 3.332 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423103340 371968595 /nfs/dbraw/zinc/96/85/95/371968595.db2.gz PBRNWGGGLICBQJ-MJJDPTRDSA-N 2 1 281.403 3.265 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)CC1 ZINC000290399399 371980198 /nfs/dbraw/zinc/98/01/98/371980198.db2.gz JGDXTRBGAVPNLE-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000423132041 371982997 /nfs/dbraw/zinc/98/29/97/371982997.db2.gz ISYBCFIDNIDKOF-MFNRNEDNSA-N 2 1 274.452 3.359 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000423171817 372002779 /nfs/dbraw/zinc/00/27/79/372002779.db2.gz QBZGZOQPNDNWHL-KBXCAEBGSA-N 2 1 268.404 3.378 20 0 CGADMP Clc1cccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)c1 ZINC000423168874 372000034 /nfs/dbraw/zinc/00/00/34/372000034.db2.gz VDLLKWIJWFWHNV-BMFZPTHFSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423082817 371952948 /nfs/dbraw/zinc/95/29/48/371952948.db2.gz XURUDEHOIIPZHD-IAGOWNOFSA-N 3 1 295.515 3.009 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000423187832 372015432 /nfs/dbraw/zinc/01/54/32/372015432.db2.gz NAKPDJNEJBVPSP-SFHVURJKSA-N 2 1 283.419 3.302 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1 ZINC000423192484 372019027 /nfs/dbraw/zinc/01/90/27/372019027.db2.gz VOXYCBIKQOKBFF-CQSZACIVSA-N 2 1 254.805 3.366 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423196782 372020853 /nfs/dbraw/zinc/02/08/53/372020853.db2.gz WHAGKOFDPPVQLB-TYNCELHUSA-N 2 1 266.816 3.174 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCOc2cc(C)ccc2C)CC1 ZINC000157506129 372025905 /nfs/dbraw/zinc/02/59/05/372025905.db2.gz RRTGPKUISGXITL-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCOc2cc(C)ccc2C)CC1 ZINC000157506129 372025912 /nfs/dbraw/zinc/02/59/12/372025912.db2.gz RRTGPKUISGXITL-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000423209715 372031937 /nfs/dbraw/zinc/03/19/37/372031937.db2.gz JJBCDBKGTGPRCO-CHWSQXEVSA-N 2 1 298.377 3.247 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221428 372039935 /nfs/dbraw/zinc/03/99/35/372039935.db2.gz ZUTAOWILHMKRTO-STQMWFEESA-N 2 1 296.842 3.389 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)s1 ZINC000423267574 372045513 /nfs/dbraw/zinc/04/55/13/372045513.db2.gz UAJHZXQFFDEOMC-YPMHNXCESA-N 2 1 254.443 3.389 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CCCCC1 ZINC000423267502 372045523 /nfs/dbraw/zinc/04/55/23/372045523.db2.gz TUVFDNCBJHVNOR-IAGOWNOFSA-N 2 1 276.399 3.310 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423275508 372045533 /nfs/dbraw/zinc/04/55/33/372045533.db2.gz NEBYLBSXKNRCOR-WFASDCNBSA-N 2 1 296.842 3.307 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2sccc21 ZINC000423297650 372049715 /nfs/dbraw/zinc/04/97/15/372049715.db2.gz LEBRPTRBBSWLCY-YPMHNXCESA-N 2 1 252.427 3.233 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423340798 372053426 /nfs/dbraw/zinc/05/34/26/372053426.db2.gz XJZSXFUHXMERNE-MFKMUULPSA-N 2 1 260.406 3.216 20 0 CGADMP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423174879 372004290 /nfs/dbraw/zinc/00/42/90/372004290.db2.gz CVHORYRUXNIUAD-WCXIOVBPSA-N 2 1 282.387 3.218 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000423184025 372011228 /nfs/dbraw/zinc/01/12/28/372011228.db2.gz HHXHUSFNXYWGHT-QGZVFWFLSA-N 2 1 287.451 3.264 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)C[NH+](C)C ZINC000425936436 372146296 /nfs/dbraw/zinc/14/62/96/372146296.db2.gz MQVZPHVGJZZLLN-DOMZBBRYSA-N 2 1 296.842 3.341 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428997631 372301008 /nfs/dbraw/zinc/30/10/08/372301008.db2.gz QPVPZIBCLDGYSP-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428997631 372301014 /nfs/dbraw/zinc/30/10/14/372301014.db2.gz QPVPZIBCLDGYSP-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428997631 372301021 /nfs/dbraw/zinc/30/10/21/372301021.db2.gz QPVPZIBCLDGYSP-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H](c1nc2ccccc2o1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293036720 372284500 /nfs/dbraw/zinc/28/45/00/372284500.db2.gz RYGAPFFDAOIQPW-KBXCAEBGSA-N 2 1 299.418 3.307 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2cc3ccccc3s2)CC1 ZINC000293125575 372305075 /nfs/dbraw/zinc/30/50/75/372305075.db2.gz ZLHDERSZCDEGGC-UHFFFAOYSA-N 2 1 274.433 3.128 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000429349233 372353374 /nfs/dbraw/zinc/35/33/74/372353374.db2.gz MGADBFVQONYCAF-DOTOQJQBSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000429349233 372353378 /nfs/dbraw/zinc/35/33/78/372353378.db2.gz MGADBFVQONYCAF-DOTOQJQBSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000429349233 372353384 /nfs/dbraw/zinc/35/33/84/372353384.db2.gz MGADBFVQONYCAF-DOTOQJQBSA-N 2 1 264.457 3.371 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)c[nH]c21 ZINC000161806655 372354650 /nfs/dbraw/zinc/35/46/50/372354650.db2.gz BMIJSDNQWBWHMJ-KBXCAEBGSA-N 2 1 299.462 3.203 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000429510314 372374056 /nfs/dbraw/zinc/37/40/56/372374056.db2.gz IAQFLWJVOYVWFW-JKSUJKDBSA-N 2 1 296.499 3.434 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000429510314 372374060 /nfs/dbraw/zinc/37/40/60/372374060.db2.gz IAQFLWJVOYVWFW-JKSUJKDBSA-N 2 1 296.499 3.434 20 0 CGADMP c1cn(CC[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cn1 ZINC000162226680 372382477 /nfs/dbraw/zinc/38/24/77/372382477.db2.gz LXHCPBXOEJIWRZ-AWEZNQCLSA-N 2 1 298.415 3.330 20 0 CGADMP c1cn(CCN2CCC[C@H]2c2nc3ccccc3s2)cn1 ZINC000162226680 372382482 /nfs/dbraw/zinc/38/24/82/372382482.db2.gz LXHCPBXOEJIWRZ-AWEZNQCLSA-N 2 1 298.415 3.330 20 0 CGADMP C[C@@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000430926840 372407021 /nfs/dbraw/zinc/40/70/21/372407021.db2.gz OXNNJXHAFVFYPY-DNVCBOLYSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000163223711 372454720 /nfs/dbraw/zinc/45/47/20/372454720.db2.gz WNTJXBDLVPPOKB-BHYGNILZSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000163223711 372454723 /nfs/dbraw/zinc/45/47/23/372454723.db2.gz WNTJXBDLVPPOKB-BHYGNILZSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000163429571 372469476 /nfs/dbraw/zinc/46/94/76/372469476.db2.gz OPGPYGYVXJABJN-YPMHNXCESA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000163429571 372469482 /nfs/dbraw/zinc/46/94/82/372469482.db2.gz OPGPYGYVXJABJN-YPMHNXCESA-N 2 1 286.341 3.122 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000164627606 372525592 /nfs/dbraw/zinc/52/55/92/372525592.db2.gz PJCIFORNSURJFU-RDTXWAMCSA-N 2 1 283.419 3.495 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000164663590 372528131 /nfs/dbraw/zinc/52/81/31/372528131.db2.gz FBVJWVXZJYFYDR-KBPBESRZSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(C)CC1 ZINC000165332437 372549128 /nfs/dbraw/zinc/54/91/28/372549128.db2.gz HIRVBHRJUBQQEQ-SJLPKXTDSA-N 2 1 286.463 3.329 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432366669 372567537 /nfs/dbraw/zinc/56/75/37/372567537.db2.gz GHEWFIHPOGBCQE-OKZBNKHCSA-N 2 1 294.483 3.069 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000166506371 372574894 /nfs/dbraw/zinc/57/48/94/372574894.db2.gz LGGDEUNGMIERMM-QGZVFWFLSA-N 2 1 276.399 3.493 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1conc1C ZINC000294108615 372582841 /nfs/dbraw/zinc/58/28/41/372582841.db2.gz MTTIJOWOAXCRTM-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c21 ZINC000165240206 372546003 /nfs/dbraw/zinc/54/60/03/372546003.db2.gz OYDJKCODPLSXJE-RLFYNMQTSA-N 2 1 299.462 3.337 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000168619295 372614888 /nfs/dbraw/zinc/61/48/88/372614888.db2.gz BAFVVSQPNLXROQ-NWDGAFQWSA-N 2 1 289.810 3.057 20 0 CGADMP Cc1cc(OCC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C(C)C ZINC000168684062 372616588 /nfs/dbraw/zinc/61/65/88/372616588.db2.gz GMZSWVOOKLRXSO-HZPDHXFCSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435374767 372753313 /nfs/dbraw/zinc/75/33/13/372753313.db2.gz YEIVDQZTKGTSJX-UKRRQHHQSA-N 2 1 270.376 3.116 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435374768 372753520 /nfs/dbraw/zinc/75/35/20/372753520.db2.gz YEIVDQZTKGTSJX-ZFWWWQNUSA-N 2 1 270.376 3.116 20 0 CGADMP CC[N@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435393810 372759276 /nfs/dbraw/zinc/75/92/76/372759276.db2.gz KXFXOFTZCBCTQJ-GFCCVEGCSA-N 2 1 286.341 3.068 20 0 CGADMP CC[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435393810 372759280 /nfs/dbraw/zinc/75/92/80/372759280.db2.gz KXFXOFTZCBCTQJ-GFCCVEGCSA-N 2 1 286.341 3.068 20 0 CGADMP CC[N@@H+](Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]CC1 ZINC000435396315 372760768 /nfs/dbraw/zinc/76/07/68/372760768.db2.gz XXNYSTHMYUMRGR-HNNXBMFYSA-N 2 1 272.392 3.397 20 0 CGADMP Cc1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)cc[nH+]1 ZINC000435586423 372780174 /nfs/dbraw/zinc/78/01/74/372780174.db2.gz AYIPNRGGMUOMEY-QGZVFWFLSA-N 2 1 273.424 3.021 20 0 CGADMP CC[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435624759 372786880 /nfs/dbraw/zinc/78/68/80/372786880.db2.gz KCJPETDCDUWGAX-INIZCTEOSA-N 2 1 294.414 3.059 20 0 CGADMP C[NH2+]CCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000435875662 372823163 /nfs/dbraw/zinc/82/31/63/372823163.db2.gz DVFIXQJZHPUQDD-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000436302160 372832142 /nfs/dbraw/zinc/83/21/42/372832142.db2.gz RPTGXWXRLSOTTC-BSDSXHPESA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000436302160 372832151 /nfs/dbraw/zinc/83/21/51/372832151.db2.gz RPTGXWXRLSOTTC-BSDSXHPESA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344646943 217260041 /nfs/dbraw/zinc/26/00/41/217260041.db2.gz WDXXYDODHYMCAB-HZPDHXFCSA-N 2 1 277.456 3.107 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344646943 217260044 /nfs/dbraw/zinc/26/00/44/217260044.db2.gz WDXXYDODHYMCAB-HZPDHXFCSA-N 2 1 277.456 3.107 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCCOc2ccccc2)CC[N@H+]1C ZINC000438182392 372905940 /nfs/dbraw/zinc/90/59/40/372905940.db2.gz HABYGPFSQXDYNC-IAGOWNOFSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000344763551 217303081 /nfs/dbraw/zinc/30/30/81/217303081.db2.gz FVDZZPDMHWIIKY-ZFWWWQNUSA-N 2 1 281.469 3.133 20 0 CGADMP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000296086379 373016595 /nfs/dbraw/zinc/01/65/95/373016595.db2.gz QWAVWMXBVRUDJF-UHFFFAOYSA-N 2 1 263.410 3.084 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000296086379 373016605 /nfs/dbraw/zinc/01/66/05/373016605.db2.gz QWAVWMXBVRUDJF-UHFFFAOYSA-N 2 1 263.410 3.084 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172848805 373046309 /nfs/dbraw/zinc/04/63/09/373046309.db2.gz DQRWUCRJAAGYNW-NVXWUHKLSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172848805 373046312 /nfs/dbraw/zinc/04/63/12/373046312.db2.gz DQRWUCRJAAGYNW-NVXWUHKLSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172848805 373046316 /nfs/dbraw/zinc/04/63/16/373046316.db2.gz DQRWUCRJAAGYNW-NVXWUHKLSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172848805 373046317 /nfs/dbraw/zinc/04/63/17/373046317.db2.gz DQRWUCRJAAGYNW-NVXWUHKLSA-N 2 1 290.451 3.388 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCSc1ccccc1Cl ZINC000442777551 373078576 /nfs/dbraw/zinc/07/85/76/373078576.db2.gz DHRWKDOWRWGWOO-CHWSQXEVSA-N 2 1 298.883 3.491 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442920371 373128382 /nfs/dbraw/zinc/12/83/82/373128382.db2.gz KZPUJQAGDOHDND-OAHLLOKOSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296458371 373141268 /nfs/dbraw/zinc/14/12/68/373141268.db2.gz NCBAASGWWMRHKP-VIXSFIOASA-N 2 1 270.420 3.450 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443055740 373145685 /nfs/dbraw/zinc/14/56/85/373145685.db2.gz BOIQFCHYQVRTGB-CABCVRRESA-N 2 1 299.418 3.463 20 0 CGADMP c1ccc([C@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000444595423 373205937 /nfs/dbraw/zinc/20/59/37/373205937.db2.gz JSNCGFIGGFGDHD-QGZVFWFLSA-N 2 1 258.409 3.309 20 0 CGADMP c1ccc([C@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000444595423 373205951 /nfs/dbraw/zinc/20/59/51/373205951.db2.gz JSNCGFIGGFGDHD-QGZVFWFLSA-N 2 1 258.409 3.309 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[N@H+]1C ZINC000297195826 373260727 /nfs/dbraw/zinc/26/07/27/373260727.db2.gz FRZMEGDAQSANGC-PPHDSNJXSA-N 2 1 294.389 3.415 20 0 CGADMP CC[NH+](CC(O)C[N@H+](CC)[C@@H](C)C(C)C)[C@@H](C)C(C)C ZINC000447162462 373408991 /nfs/dbraw/zinc/40/89/91/373408991.db2.gz IVVZSFJYWQAGPD-HOTGVXAUSA-N 2 1 286.504 3.080 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000300408727 373627149 /nfs/dbraw/zinc/62/71/49/373627149.db2.gz LOWVIFOPGNAFSG-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823864 373711358 /nfs/dbraw/zinc/71/13/58/373711358.db2.gz MYABKOBSSWKHHJ-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823864 373711366 /nfs/dbraw/zinc/71/13/66/373711366.db2.gz MYABKOBSSWKHHJ-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823864 373711372 /nfs/dbraw/zinc/71/13/72/373711372.db2.gz MYABKOBSSWKHHJ-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823864 373711385 /nfs/dbraw/zinc/71/13/85/373711385.db2.gz MYABKOBSSWKHHJ-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CCc1cc(NC[C@@H](c2cccs2)[NH+](C)C)nc(C)[nH+]1 ZINC000301339268 373752224 /nfs/dbraw/zinc/75/22/24/373752224.db2.gz HUMATJJGQOTWQU-ZDUSSCGKSA-N 2 1 290.436 3.124 20 0 CGADMP Cc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000302283902 373847897 /nfs/dbraw/zinc/84/78/97/373847897.db2.gz JTJAZXBIBMDJJP-AWEZNQCLSA-N 2 1 261.413 3.314 20 0 CGADMP C[C@@H]1C[C@@H](N[C@@H]2CCCOc3cc(F)ccc32)CC[N@H+]1C ZINC000179965330 373947789 /nfs/dbraw/zinc/94/77/89/373947789.db2.gz RRCUDTPIVJYCFQ-IVMMDQJWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CCN1C ZINC000179965330 373947793 /nfs/dbraw/zinc/94/77/93/373947793.db2.gz RRCUDTPIVJYCFQ-IVMMDQJWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[N@@H+]1C ZINC000179965330 373947800 /nfs/dbraw/zinc/94/78/00/373947800.db2.gz RRCUDTPIVJYCFQ-IVMMDQJWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[N@H+]1C ZINC000179965330 373947809 /nfs/dbraw/zinc/94/78/09/373947809.db2.gz RRCUDTPIVJYCFQ-IVMMDQJWSA-N 2 1 292.398 3.112 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000305125999 374072952 /nfs/dbraw/zinc/07/29/52/374072952.db2.gz LFEPPSPWKIGKGA-GOSISDBHSA-N 2 1 296.499 3.172 20 0 CGADMP C1=C(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCC1 ZINC000450443695 374133946 /nfs/dbraw/zinc/13/39/46/374133946.db2.gz VSCKZCMENNLCJS-KRWDZBQOSA-N 2 1 262.441 3.295 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000181802840 374173517 /nfs/dbraw/zinc/17/35/17/374173517.db2.gz GHQREAQIQCDPKU-RDJZCZTQSA-N 2 1 274.452 3.427 20 0 CGADMP CCc1nc(NCCC[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000309961674 374204587 /nfs/dbraw/zinc/20/45/87/374204587.db2.gz ZOAQIKPJLKSZMM-UHFFFAOYSA-N 2 1 298.434 3.281 20 0 CGADMP CCc1nc(NCCC[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000309961674 374204588 /nfs/dbraw/zinc/20/45/88/374204588.db2.gz ZOAQIKPJLKSZMM-UHFFFAOYSA-N 2 1 298.434 3.281 20 0 CGADMP CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309984217 374206118 /nfs/dbraw/zinc/20/61/18/374206118.db2.gz WPPZCOQZPSVJMZ-ROUUACIJSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309984217 374206124 /nfs/dbraw/zinc/20/61/24/374206124.db2.gz WPPZCOQZPSVJMZ-ROUUACIJSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309984217 374206128 /nfs/dbraw/zinc/20/61/28/374206128.db2.gz WPPZCOQZPSVJMZ-ROUUACIJSA-N 2 1 272.436 3.240 20 0 CGADMP CCc1ccc([C@H](CC)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000312483702 374279701 /nfs/dbraw/zinc/27/97/01/374279701.db2.gz USMBETDUHZRIDS-KRWDZBQOSA-N 2 1 271.408 3.495 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000312011980 374266180 /nfs/dbraw/zinc/26/61/80/374266180.db2.gz WRLJFUCSVXFQQD-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nccs2)CC1 ZINC000182763775 374322404 /nfs/dbraw/zinc/32/24/04/374322404.db2.gz BRMNKALSHGOVDL-UHFFFAOYSA-N 2 1 295.496 3.477 20 0 CGADMP C([NH2+][C@@H]1CCCC12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000328095156 374360059 /nfs/dbraw/zinc/36/00/59/374360059.db2.gz JNXRYFKUMOHWHQ-GDBMZVCRSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCC1 ZINC000183193255 374385020 /nfs/dbraw/zinc/38/50/20/374385020.db2.gz DRXFTILOEKGRHW-IIAWOOMASA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000183366529 374405825 /nfs/dbraw/zinc/40/58/25/374405825.db2.gz BBAFFZZHANWJNI-LPHOPBHVSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000183366529 374405833 /nfs/dbraw/zinc/40/58/33/374405833.db2.gz BBAFFZZHANWJNI-LPHOPBHVSA-N 2 1 286.463 3.424 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000453335232 374429906 /nfs/dbraw/zinc/42/99/06/374429906.db2.gz DDOOJNIHZMMPLH-NDNKKMJESA-N 2 1 293.480 3.290 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000453335232 374429914 /nfs/dbraw/zinc/42/99/14/374429914.db2.gz DDOOJNIHZMMPLH-NDNKKMJESA-N 2 1 293.480 3.290 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000086904377 541940215 /nfs/dbraw/zinc/94/02/15/541940215.db2.gz RRSDASHWTAWQLJ-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1C ZINC000183740470 374449593 /nfs/dbraw/zinc/44/95/93/374449593.db2.gz MIJRRISFEGGZGI-JKSUJKDBSA-N 2 1 260.425 3.438 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453368288 374453842 /nfs/dbraw/zinc/45/38/42/374453842.db2.gz UUPXPXVDWXHHBE-XVLXNVKGSA-N 2 1 286.463 3.469 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000334178381 206151035 /nfs/dbraw/zinc/15/10/35/206151035.db2.gz DIFVYJCRARHMHL-OAHLLOKOSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000334178381 206151039 /nfs/dbraw/zinc/15/10/39/206151039.db2.gz DIFVYJCRARHMHL-OAHLLOKOSA-N 2 1 288.435 3.316 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090469046 541962327 /nfs/dbraw/zinc/96/23/27/541962327.db2.gz CBMGBOYZICMRIC-IAGOWNOFSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000333630652 374611709 /nfs/dbraw/zinc/61/17/09/374611709.db2.gz VRERSWYJQBDZIU-JHJVBQTASA-N 2 1 292.427 3.122 20 0 CGADMP C[N@H+]1CCCC12CCN(C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000334391252 374709059 /nfs/dbraw/zinc/70/90/59/374709059.db2.gz VBUMENSDVNOOFB-CQSZACIVSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000334391252 374709062 /nfs/dbraw/zinc/70/90/62/374709062.db2.gz VBUMENSDVNOOFB-CQSZACIVSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000334391252 374709066 /nfs/dbraw/zinc/70/90/66/374709066.db2.gz VBUMENSDVNOOFB-CQSZACIVSA-N 2 1 286.410 3.372 20 0 CGADMP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706253 374719110 /nfs/dbraw/zinc/71/91/10/374719110.db2.gz PREFDRQUSZLXGY-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCCCC13CCCC3)C2 ZINC000334423540 374737699 /nfs/dbraw/zinc/73/76/99/374737699.db2.gz FSDYPUIJLANZBR-BBRMVZONSA-N 2 1 273.424 3.360 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459743111 374818348 /nfs/dbraw/zinc/81/83/48/374818348.db2.gz WESIWNPGUHTVAC-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000459778228 374821377 /nfs/dbraw/zinc/82/13/77/374821377.db2.gz KTEBDMSWAPBGMK-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)CC[N@@H+]1C ZINC000335233970 375251561 /nfs/dbraw/zinc/25/15/61/375251561.db2.gz UYMNJCQNEFHUHQ-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)CC[N@H+]1C ZINC000335233970 375251564 /nfs/dbraw/zinc/25/15/64/375251564.db2.gz UYMNJCQNEFHUHQ-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000486978194 375199397 /nfs/dbraw/zinc/19/93/97/375199397.db2.gz YPWOQBLUJDZSCD-QPSCCSFWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000486978194 375199403 /nfs/dbraw/zinc/19/94/03/375199403.db2.gz YPWOQBLUJDZSCD-QPSCCSFWSA-N 2 1 252.446 3.131 20 0 CGADMP c1ccc(C[C@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000189037962 375314339 /nfs/dbraw/zinc/31/43/39/375314339.db2.gz SSTHBJKPHFHZLX-QYZOEREBSA-N 2 1 298.474 3.472 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000189463028 375393233 /nfs/dbraw/zinc/39/32/33/375393233.db2.gz ZYUZDWCXZGYSNX-HDEZJCGLSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000189463028 375393236 /nfs/dbraw/zinc/39/32/36/375393236.db2.gz ZYUZDWCXZGYSNX-HDEZJCGLSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335991546 375598168 /nfs/dbraw/zinc/59/81/68/375598168.db2.gz GIUOEJGEOODIFQ-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335991546 375598170 /nfs/dbraw/zinc/59/81/70/375598170.db2.gz GIUOEJGEOODIFQ-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc2cccnc12 ZINC000335991546 375598175 /nfs/dbraw/zinc/59/81/75/375598175.db2.gz GIUOEJGEOODIFQ-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc2cccnc12 ZINC000335991546 375598178 /nfs/dbraw/zinc/59/81/78/375598178.db2.gz GIUOEJGEOODIFQ-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000191051704 375567888 /nfs/dbraw/zinc/56/78/88/375567888.db2.gz GUHMRTDHOIQNDB-GVDBMIGSSA-N 2 1 264.457 3.252 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000335999331 375604692 /nfs/dbraw/zinc/60/46/92/375604692.db2.gz JEWZDAGKCFOVFK-QQBRFCFWSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000335999331 375604698 /nfs/dbraw/zinc/60/46/98/375604698.db2.gz JEWZDAGKCFOVFK-QQBRFCFWSA-N 2 1 294.389 3.283 20 0 CGADMP Clc1ccc(Cl)c(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000336005416 375611925 /nfs/dbraw/zinc/61/19/25/375611925.db2.gz ZOPIGTUYMQHRJK-NSHDSACASA-N 2 1 296.201 3.364 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000121131572 542015309 /nfs/dbraw/zinc/01/53/09/542015309.db2.gz MDTDKDQLTJXDNU-SJKOYZFVSA-N 2 1 294.389 3.274 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000121131572 542015312 /nfs/dbraw/zinc/01/53/12/542015312.db2.gz MDTDKDQLTJXDNU-SJKOYZFVSA-N 2 1 294.389 3.274 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000191803095 375665419 /nfs/dbraw/zinc/66/54/19/375665419.db2.gz FRGUFNMQKKMYJC-KRWDZBQOSA-N 2 1 277.456 3.284 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000191803095 375665427 /nfs/dbraw/zinc/66/54/27/375665427.db2.gz FRGUFNMQKKMYJC-KRWDZBQOSA-N 2 1 277.456 3.284 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCc2ccccc2CC1 ZINC000124063296 542031019 /nfs/dbraw/zinc/03/10/19/542031019.db2.gz CRHJWZZXGHDKER-UHFFFAOYSA-N 2 1 283.419 3.073 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1cc3ccccc3o1)C2 ZINC000192718421 375781599 /nfs/dbraw/zinc/78/15/99/375781599.db2.gz FVIFZUPILJTUMI-GOOCMWNKSA-N 2 1 270.376 3.148 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cc3ccccc3o1)C2 ZINC000192718421 375781605 /nfs/dbraw/zinc/78/16/05/375781605.db2.gz FVIFZUPILJTUMI-GOOCMWNKSA-N 2 1 270.376 3.148 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cc3ccccc3o1)C2 ZINC000192718421 375781610 /nfs/dbraw/zinc/78/16/10/375781610.db2.gz FVIFZUPILJTUMI-GOOCMWNKSA-N 2 1 270.376 3.148 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000336356856 375781595 /nfs/dbraw/zinc/78/15/95/375781595.db2.gz NBHQLJQAJPODHR-MLGOLLRUSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000336356856 375781601 /nfs/dbraw/zinc/78/16/01/375781601.db2.gz NBHQLJQAJPODHR-MLGOLLRUSA-N 2 1 278.827 3.211 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000192508656 375759292 /nfs/dbraw/zinc/75/92/92/375759292.db2.gz BLXUVQMCJKZEQH-YJBOKZPZSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCc2ccccc2)CC[N@H+]1C ZINC000128728836 542053107 /nfs/dbraw/zinc/05/31/07/542053107.db2.gz GLHNGVBLAKNDKK-DOTOQJQBSA-N 2 1 260.425 3.082 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2occc21 ZINC000192824331 375792713 /nfs/dbraw/zinc/79/27/13/375792713.db2.gz CHDGNICPYQSAIH-DOMZBBRYSA-N 2 1 273.380 3.088 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C2CCC2)CC1 ZINC000336568070 375836991 /nfs/dbraw/zinc/83/69/91/375836991.db2.gz NEWIVZPYRCXDGH-SFHVURJKSA-N 2 1 288.410 3.420 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336568070 375836994 /nfs/dbraw/zinc/83/69/94/375836994.db2.gz NEWIVZPYRCXDGH-SFHVURJKSA-N 2 1 288.410 3.420 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261404 375964699 /nfs/dbraw/zinc/96/46/99/375964699.db2.gz GNPOMMUPXUUKAD-BLLLJJGKSA-N 2 1 278.827 3.259 20 0 CGADMP C1=CO[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000193870424 375932377 /nfs/dbraw/zinc/93/23/77/375932377.db2.gz UHIASNKNPIWVBW-MSOLQXFVSA-N 2 1 292.467 3.267 20 0 CGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1C ZINC000194293193 375980107 /nfs/dbraw/zinc/98/01/07/375980107.db2.gz SQDYTVHNNBYTMA-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP CC(C)COCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336845174 376007937 /nfs/dbraw/zinc/00/79/37/376007937.db2.gz VIOHXDYZPXTFDJ-GOSISDBHSA-N 2 1 296.499 3.103 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336845174 376007942 /nfs/dbraw/zinc/00/79/42/376007942.db2.gz VIOHXDYZPXTFDJ-GOSISDBHSA-N 2 1 296.499 3.103 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@@H]12 ZINC000535765288 376055414 /nfs/dbraw/zinc/05/54/14/376055414.db2.gz HUTCFJWYDJRHFY-QZWWFDLISA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCCC[C@@H]12 ZINC000535765288 376055418 /nfs/dbraw/zinc/05/54/18/376055418.db2.gz HUTCFJWYDJRHFY-QZWWFDLISA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]2CCCC[C@@H]12 ZINC000535765288 376055424 /nfs/dbraw/zinc/05/54/24/376055424.db2.gz HUTCFJWYDJRHFY-QZWWFDLISA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000536879586 376140963 /nfs/dbraw/zinc/14/09/63/376140963.db2.gz XGBSTUNFEDFERW-CRAIPNDOSA-N 2 1 298.430 3.148 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646965 376188801 /nfs/dbraw/zinc/18/88/01/376188801.db2.gz DYLAHCJPSCYHKF-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646965 376188806 /nfs/dbraw/zinc/18/88/06/376188806.db2.gz DYLAHCJPSCYHKF-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646965 376188808 /nfs/dbraw/zinc/18/88/08/376188808.db2.gz DYLAHCJPSCYHKF-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217517780 376174332 /nfs/dbraw/zinc/17/43/32/376174332.db2.gz VZLKXZCJQCDMOJ-NEPJUHHUSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217517780 376174340 /nfs/dbraw/zinc/17/43/40/376174340.db2.gz VZLKXZCJQCDMOJ-NEPJUHHUSA-N 2 1 252.789 3.072 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000337380389 376217713 /nfs/dbraw/zinc/21/77/13/376217713.db2.gz ALLWGKSIWYAVEY-OCCSQVGLSA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337395248 376219014 /nfs/dbraw/zinc/21/90/14/376219014.db2.gz BOYZHBIIALAUCK-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337395248 376219019 /nfs/dbraw/zinc/21/90/19/376219019.db2.gz BOYZHBIIALAUCK-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP COc1ccc2c(c1)[C@H](NCCC[N@@H+](C)C(C)C)CC2 ZINC000221914320 376224364 /nfs/dbraw/zinc/22/43/64/376224364.db2.gz DMYKIEYJMHPJJM-QGZVFWFLSA-N 2 1 276.424 3.002 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+](C)C(C)C)CC2 ZINC000221914320 376224366 /nfs/dbraw/zinc/22/43/66/376224366.db2.gz DMYKIEYJMHPJJM-QGZVFWFLSA-N 2 1 276.424 3.002 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CC2 ZINC000221914320 376224373 /nfs/dbraw/zinc/22/43/73/376224373.db2.gz DMYKIEYJMHPJJM-QGZVFWFLSA-N 2 1 276.424 3.002 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000221924395 376225616 /nfs/dbraw/zinc/22/56/16/376225616.db2.gz BSKUPISOMBKVSN-QGZVFWFLSA-N 2 1 260.425 3.384 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337990860 376250286 /nfs/dbraw/zinc/25/02/86/376250286.db2.gz FGNYQPLRIUCYJY-DJIMGWMZSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226324640 376352051 /nfs/dbraw/zinc/35/20/51/376352051.db2.gz OPLMIYIEJRSMGU-NEPJUHHUSA-N 2 1 268.351 3.087 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326257 376352098 /nfs/dbraw/zinc/35/20/98/376352098.db2.gz RQPDGZXEVMJUKI-OLZOCXBDSA-N 2 1 266.816 3.462 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C12CCCC2 ZINC000224589634 376284131 /nfs/dbraw/zinc/28/41/31/376284131.db2.gz GBJUJFGQNBHVAN-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP c1cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc(C2CC2)c1 ZINC000227610779 376401329 /nfs/dbraw/zinc/40/13/29/376401329.db2.gz QKIRQRNQQHKOCM-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C2CC2)c1 ZINC000227610779 376401336 /nfs/dbraw/zinc/40/13/36/376401336.db2.gz QKIRQRNQQHKOCM-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc(C2CC2)c1 ZINC000227610779 376401342 /nfs/dbraw/zinc/40/13/42/376401342.db2.gz QKIRQRNQQHKOCM-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP CC[N@@H+](Cc1ccccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000226436040 376359734 /nfs/dbraw/zinc/35/97/34/376359734.db2.gz CBYBCXRSUATGTE-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP CC[N@H+](Cc1ccccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000226436040 376359737 /nfs/dbraw/zinc/35/97/37/376359737.db2.gz CBYBCXRSUATGTE-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000540505254 376377202 /nfs/dbraw/zinc/37/72/02/376377202.db2.gz QIGQXXYUJZUTQX-OKZBNKHCSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000540505254 376377211 /nfs/dbraw/zinc/37/72/11/376377211.db2.gz QIGQXXYUJZUTQX-OKZBNKHCSA-N 2 1 272.436 3.254 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1(C)C ZINC000540596819 376384022 /nfs/dbraw/zinc/38/40/22/376384022.db2.gz WCPABZBDAHCTTI-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1(C)C ZINC000540596819 376384026 /nfs/dbraw/zinc/38/40/26/376384026.db2.gz WCPABZBDAHCTTI-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP COCC1([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000540750499 376394433 /nfs/dbraw/zinc/39/44/33/376394433.db2.gz GHZJEMXXLIOPBE-ZDUSSCGKSA-N 2 1 285.391 3.010 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC000230047338 376482386 /nfs/dbraw/zinc/48/23/86/376482386.db2.gz PGRWXJUJEBZLII-GBESFXJTSA-N 2 1 280.415 3.399 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000229574313 376465123 /nfs/dbraw/zinc/46/51/23/376465123.db2.gz OEAZFAKKNUNPBW-GDBMZVCRSA-N 2 1 278.415 3.077 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000541986400 376499570 /nfs/dbraw/zinc/49/95/70/376499570.db2.gz PBLOILRTKTZOSC-IAGOWNOFSA-N 2 1 286.463 3.065 20 0 CGADMP COCCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230650215 376525239 /nfs/dbraw/zinc/52/52/39/376525239.db2.gz XQRHXCZSLJINLU-UHFFFAOYSA-N 2 1 290.451 3.057 20 0 CGADMP CC1(C)C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230660063 376525702 /nfs/dbraw/zinc/52/57/02/376525702.db2.gz AAYDFIVTEHBODA-MRXNPFEDSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000542268996 376528640 /nfs/dbraw/zinc/52/86/40/376528640.db2.gz CVRXZJUICIDVFV-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000542268996 376528646 /nfs/dbraw/zinc/52/86/46/376528646.db2.gz CVRXZJUICIDVFV-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000543137995 376611771 /nfs/dbraw/zinc/61/17/71/376611771.db2.gz CSPKEYDLJYEUSF-XJKSGUPXSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000543137995 376611778 /nfs/dbraw/zinc/61/17/78/376611778.db2.gz CSPKEYDLJYEUSF-XJKSGUPXSA-N 2 1 296.405 3.169 20 0 CGADMP Cc1ccc(C)c(OCCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000234290234 376615574 /nfs/dbraw/zinc/61/55/74/376615574.db2.gz KKNFHZVORPFZOM-QGZVFWFLSA-N 2 1 290.451 3.146 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000339071124 376660362 /nfs/dbraw/zinc/66/03/62/376660362.db2.gz QRZDNOQANOXBHI-BPUTZDHNSA-N 2 1 276.424 3.126 20 0 CGADMP c1cc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000543960027 376690838 /nfs/dbraw/zinc/69/08/38/376690838.db2.gz NZLNZBYAEKRTJJ-KRWDZBQOSA-N 2 1 292.492 3.489 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000236784004 376694493 /nfs/dbraw/zinc/69/44/93/376694493.db2.gz RLYYXBVLWVDFNF-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435930 376814942 /nfs/dbraw/zinc/81/49/42/376814942.db2.gz QSTYGVKIHKERKG-DOTOQJQBSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435930 376814948 /nfs/dbraw/zinc/81/49/48/376814948.db2.gz QSTYGVKIHKERKG-DOTOQJQBSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435930 376814950 /nfs/dbraw/zinc/81/49/50/376814950.db2.gz QSTYGVKIHKERKG-DOTOQJQBSA-N 2 1 260.425 3.157 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCc2ccccc2)C1 ZINC000245433060 376815504 /nfs/dbraw/zinc/81/55/04/376815504.db2.gz BPGYMCLWCKIAMF-AEFFLSMTSA-N 2 1 274.452 3.281 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000556883027 376898988 /nfs/dbraw/zinc/89/89/88/376898988.db2.gz AIZKDGCCRHLLJT-QRVBRYPASA-N 2 1 286.463 3.308 20 0 CGADMP C[C@H](c1nc2ccccc2o1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245556649 376853354 /nfs/dbraw/zinc/85/33/54/376853354.db2.gz UOTRNMILNDBFAC-KGLIPLIRSA-N 2 1 287.407 3.162 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)CC[N@@H+]1C ZINC000245567045 376858196 /nfs/dbraw/zinc/85/81/96/376858196.db2.gz RRCUDTPIVJYCFQ-XPKDYRNWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)CC[N@H+]1C ZINC000245567045 376858202 /nfs/dbraw/zinc/85/82/02/376858202.db2.gz RRCUDTPIVJYCFQ-XPKDYRNWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000245585612 376862936 /nfs/dbraw/zinc/86/29/36/376862936.db2.gz DHIBTMARUHOWLD-OWCLPIDISA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000245585612 376862941 /nfs/dbraw/zinc/86/29/41/376862941.db2.gz DHIBTMARUHOWLD-OWCLPIDISA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245685574 376878324 /nfs/dbraw/zinc/87/83/24/376878324.db2.gz POVNFDGWSDZQTA-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245685574 376878332 /nfs/dbraw/zinc/87/83/32/376878332.db2.gz POVNFDGWSDZQTA-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245685574 376878338 /nfs/dbraw/zinc/87/83/38/376878338.db2.gz POVNFDGWSDZQTA-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000556864167 376891556 /nfs/dbraw/zinc/89/15/56/376891556.db2.gz BMPMXVDYPHREHD-DZVNLGKHSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000245729521 376892654 /nfs/dbraw/zinc/89/26/54/376892654.db2.gz JJXSVPXUIHRWKV-ZFWWWQNUSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000245729521 376892662 /nfs/dbraw/zinc/89/26/62/376892662.db2.gz JJXSVPXUIHRWKV-ZFWWWQNUSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1F ZINC000245729521 376892668 /nfs/dbraw/zinc/89/26/68/376892668.db2.gz JJXSVPXUIHRWKV-ZFWWWQNUSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1F ZINC000245729521 376892672 /nfs/dbraw/zinc/89/26/72/376892672.db2.gz JJXSVPXUIHRWKV-ZFWWWQNUSA-N 2 1 264.388 3.049 20 0 CGADMP CC(C)C[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000557084978 376922087 /nfs/dbraw/zinc/92/20/87/376922087.db2.gz UFYZOMZNLTWGPN-YQQAZPJKSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000557084978 376922090 /nfs/dbraw/zinc/92/20/90/376922090.db2.gz UFYZOMZNLTWGPN-YQQAZPJKSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000557084978 376922094 /nfs/dbraw/zinc/92/20/94/376922094.db2.gz UFYZOMZNLTWGPN-YQQAZPJKSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000557084978 376922098 /nfs/dbraw/zinc/92/20/98/376922098.db2.gz UFYZOMZNLTWGPN-YQQAZPJKSA-N 2 1 264.457 3.370 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246555851 377051220 /nfs/dbraw/zinc/05/12/20/377051220.db2.gz WTSSXGUCNCBEAR-ARFHVFGLSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426637 377052177 /nfs/dbraw/zinc/05/21/77/377052177.db2.gz MBJZLMQNJMUCMG-WFASDCNBSA-N 2 1 282.378 3.228 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(C)C)[C@@H](C)C1 ZINC000246490830 377041648 /nfs/dbraw/zinc/04/16/48/377041648.db2.gz RUSKEPSPIIXTHU-LSDHHAIUSA-N 2 1 254.462 3.379 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246533405 377047546 /nfs/dbraw/zinc/04/75/46/377047546.db2.gz CJHIPWDUIPGKAS-XHDPSFHLSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)s1 ZINC000246533405 377047552 /nfs/dbraw/zinc/04/75/52/377047552.db2.gz CJHIPWDUIPGKAS-XHDPSFHLSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)s1 ZINC000246533405 377047560 /nfs/dbraw/zinc/04/75/60/377047560.db2.gz CJHIPWDUIPGKAS-XHDPSFHLSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)s1 ZINC000246533405 377047567 /nfs/dbraw/zinc/04/75/67/377047567.db2.gz CJHIPWDUIPGKAS-XHDPSFHLSA-N 2 1 266.454 3.279 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000558255475 376990395 /nfs/dbraw/zinc/99/03/95/376990395.db2.gz HEBQGBHCWXNVFF-TUUVXOQKSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000558255475 376990403 /nfs/dbraw/zinc/99/04/03/376990403.db2.gz HEBQGBHCWXNVFF-TUUVXOQKSA-N 2 1 294.389 3.283 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000246892521 377113876 /nfs/dbraw/zinc/11/38/76/377113876.db2.gz DTTGLJQGDCKNJK-YJBOKZPZSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558919396 377054290 /nfs/dbraw/zinc/05/42/90/377054290.db2.gz JJYDEOBCXUEHIQ-QCSYZSNVSA-N 2 1 272.436 3.108 20 0 CGADMP CCc1cccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246788803 377089530 /nfs/dbraw/zinc/08/95/30/377089530.db2.gz OYWFEIVLCNTLOU-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246788803 377089541 /nfs/dbraw/zinc/08/95/41/377089541.db2.gz OYWFEIVLCNTLOU-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246788803 377089549 /nfs/dbraw/zinc/08/95/49/377089549.db2.gz OYWFEIVLCNTLOU-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246788803 377089560 /nfs/dbraw/zinc/08/95/60/377089560.db2.gz OYWFEIVLCNTLOU-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246982398 377130545 /nfs/dbraw/zinc/13/05/45/377130545.db2.gz KCXKDCUPXHLDGW-BBRMVZONSA-N 2 1 296.842 3.039 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000246989779 377133992 /nfs/dbraw/zinc/13/39/92/377133992.db2.gz JITPDQUFQWLWEL-KNXALSJPSA-N 2 1 282.378 3.488 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC(C(C)C)C(C)C)C1 ZINC000560260325 377135100 /nfs/dbraw/zinc/13/51/00/377135100.db2.gz RBHYBDPUQDTASJ-OAHLLOKOSA-N 2 1 254.462 3.188 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC(C(C)C)C(C)C)C1 ZINC000560260325 377135108 /nfs/dbraw/zinc/13/51/08/377135108.db2.gz RBHYBDPUQDTASJ-OAHLLOKOSA-N 2 1 254.462 3.188 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC000560260325 377135114 /nfs/dbraw/zinc/13/51/14/377135114.db2.gz RBHYBDPUQDTASJ-OAHLLOKOSA-N 2 1 254.462 3.188 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000247008754 377139618 /nfs/dbraw/zinc/13/96/18/377139618.db2.gz KGSYORZOLLUYOG-BFHYXJOUSA-N 2 1 264.388 3.349 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000247120754 377162401 /nfs/dbraw/zinc/16/24/01/377162401.db2.gz RDCSXWXZYVBURK-IIDMSEBBSA-N 2 1 272.436 3.241 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554680 377171318 /nfs/dbraw/zinc/17/13/18/377171318.db2.gz HUEIMNBVAITKMW-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554680 377171328 /nfs/dbraw/zinc/17/13/28/377171328.db2.gz HUEIMNBVAITKMW-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554680 377171335 /nfs/dbraw/zinc/17/13/35/377171335.db2.gz HUEIMNBVAITKMW-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000247181948 377172820 /nfs/dbraw/zinc/17/28/20/377172820.db2.gz ZEPDHZDRQMHRQR-HSMVNMDESA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000247181948 377172827 /nfs/dbraw/zinc/17/28/27/377172827.db2.gz ZEPDHZDRQMHRQR-HSMVNMDESA-N 2 1 278.827 3.400 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Cc1cccs1 ZINC000247196690 377174235 /nfs/dbraw/zinc/17/42/35/377174235.db2.gz USTPAPXFFYJMIB-RZLSGREXSA-N 2 1 280.481 3.245 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Cc1cccs1 ZINC000247196703 377174377 /nfs/dbraw/zinc/17/43/77/377174377.db2.gz USTPAPXFFYJMIB-TTZDDIAXSA-N 2 1 280.481 3.245 20 0 CGADMP CC(C)Oc1ccccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000247222401 377179162 /nfs/dbraw/zinc/17/91/62/377179162.db2.gz XUDAELKEWDJOKT-YQQAZPJKSA-N 2 1 290.451 3.292 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000247222401 377179177 /nfs/dbraw/zinc/17/91/77/377179177.db2.gz XUDAELKEWDJOKT-YQQAZPJKSA-N 2 1 290.451 3.292 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000340700506 377225668 /nfs/dbraw/zinc/22/56/68/377225668.db2.gz FCMZVPAJCDZHMB-ZWKOTPCHSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000248048290 377261484 /nfs/dbraw/zinc/26/14/84/377261484.db2.gz VUQMPXVDEGKMMR-FXRXJOCMSA-N 2 1 286.463 3.425 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000248054446 377263707 /nfs/dbraw/zinc/26/37/07/377263707.db2.gz WZSKDGWMBUQAFN-JSGCOSHPSA-N 2 1 298.377 3.108 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000248054446 377263713 /nfs/dbraw/zinc/26/37/13/377263713.db2.gz WZSKDGWMBUQAFN-JSGCOSHPSA-N 2 1 298.377 3.108 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000247415239 377202843 /nfs/dbraw/zinc/20/28/43/377202843.db2.gz ZVTDWFUGOIXPFA-HZPDHXFCSA-N 2 1 290.451 3.466 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248148774 377272215 /nfs/dbraw/zinc/27/22/15/377272215.db2.gz QMONEGZKPCYZIE-IXDOHACOSA-N 2 1 290.451 3.082 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCC3CCCC3)CC[C@H]21 ZINC000248176698 377276228 /nfs/dbraw/zinc/27/62/28/377276228.db2.gz VRUTXMHKDTWWIH-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCC3CCCC3)CC[C@H]21 ZINC000248176698 377276236 /nfs/dbraw/zinc/27/62/36/377276236.db2.gz VRUTXMHKDTWWIH-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000248342480 377291281 /nfs/dbraw/zinc/29/12/81/377291281.db2.gz JOKAKBASPZHZOF-KBXCAEBGSA-N 2 1 288.410 3.231 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000248342480 377291286 /nfs/dbraw/zinc/29/12/86/377291286.db2.gz JOKAKBASPZHZOF-KBXCAEBGSA-N 2 1 288.410 3.231 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161590815 542159828 /nfs/dbraw/zinc/15/98/28/542159828.db2.gz LWWALBVYTJLKPS-DAYGRLMNSA-N 2 1 270.420 3.199 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000562740804 377354973 /nfs/dbraw/zinc/35/49/73/377354973.db2.gz YLJPQBDWAUQCAC-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc2ccccc21 ZINC000563349040 377446486 /nfs/dbraw/zinc/44/64/86/377446486.db2.gz NQJNIXPDKZQCJT-ZBFHGGJFSA-N 2 1 284.403 3.030 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000563351187 377446662 /nfs/dbraw/zinc/44/66/62/377446662.db2.gz XAUFZNSMYGHCKQ-GOEBONIOSA-N 2 1 276.424 3.033 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000341341722 377517881 /nfs/dbraw/zinc/51/78/81/377517881.db2.gz FEWKCELFLGYAEK-AWEZNQCLSA-N 2 1 275.440 3.167 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093463499 249037777 /nfs/dbraw/zinc/03/77/77/249037777.db2.gz ZNXGCJXTKVHZPM-ZNMIVQPWSA-N 2 1 276.424 3.185 20 0 CGADMP CCCN1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000164607812 542171729 /nfs/dbraw/zinc/17/17/29/542171729.db2.gz IRSQBJLMZVDWEI-UHFFFAOYSA-N 2 1 295.515 3.107 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000268850895 249061338 /nfs/dbraw/zinc/06/13/38/249061338.db2.gz YABMFFHQLZRAIE-OAHLLOKOSA-N 2 1 271.408 3.468 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459564992 249156580 /nfs/dbraw/zinc/15/65/80/249156580.db2.gz XBKMGMHSHFMZGV-SFHVURJKSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459564992 249156583 /nfs/dbraw/zinc/15/65/83/249156583.db2.gz XBKMGMHSHFMZGV-SFHVURJKSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459564992 249156584 /nfs/dbraw/zinc/15/65/84/249156584.db2.gz XBKMGMHSHFMZGV-SFHVURJKSA-N 2 1 270.420 3.092 20 0 CGADMP CC[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000469877192 249161340 /nfs/dbraw/zinc/16/13/40/249161340.db2.gz DWQOCZIKZCBKES-UBDQQSCGSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H](CC1CCCCC1)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000470000852 249165894 /nfs/dbraw/zinc/16/58/94/249165894.db2.gz VEQKKXHVLUQZPC-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP Clc1ccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428029998 249131358 /nfs/dbraw/zinc/13/13/58/249131358.db2.gz BZKQHLOBDTVJCT-IUODEOHRSA-N 2 1 296.867 3.116 20 0 CGADMP Clc1ccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428029998 249131361 /nfs/dbraw/zinc/13/13/61/249131361.db2.gz BZKQHLOBDTVJCT-IUODEOHRSA-N 2 1 296.867 3.116 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000250581067 377562792 /nfs/dbraw/zinc/56/27/92/377562792.db2.gz FZYNPWGMTVCWNV-AGIUHOORSA-N 2 1 278.362 3.039 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2Cc3ccccc3C2)CC1 ZINC000573736463 377569103 /nfs/dbraw/zinc/56/91/03/377569103.db2.gz BOEZPADVYMCZNZ-UHFFFAOYSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000251585630 377588710 /nfs/dbraw/zinc/58/87/10/377588710.db2.gz BEBGFTUHKCLJNX-APWZRJJASA-N 2 1 286.463 3.398 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251706501 377594862 /nfs/dbraw/zinc/59/48/62/377594862.db2.gz JEEXAWGKNBSYKS-UHIISALHSA-N 2 1 284.350 3.018 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000265653838 190197406 /nfs/dbraw/zinc/19/74/06/190197406.db2.gz OOOTZCKYQMWCTA-UHFFFAOYSA-N 2 1 299.418 3.085 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000251828408 377601263 /nfs/dbraw/zinc/60/12/63/377601263.db2.gz YTLUTYCXDHVQFJ-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251877374 377602126 /nfs/dbraw/zinc/60/21/26/377602126.db2.gz UMQKUURIJCMUKI-GYSYKLTISA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251877374 377602132 /nfs/dbraw/zinc/60/21/32/377602132.db2.gz UMQKUURIJCMUKI-GYSYKLTISA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H]1C[C@@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@@H+]1C ZINC000180061166 542206516 /nfs/dbraw/zinc/20/65/16/542206516.db2.gz UEXDAHTYZUOJAZ-DOMZBBRYSA-N 2 1 298.434 3.345 20 0 CGADMP C[C@@H]1C[C@@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@H+]1C ZINC000180061166 542206520 /nfs/dbraw/zinc/20/65/20/542206520.db2.gz UEXDAHTYZUOJAZ-DOMZBBRYSA-N 2 1 298.434 3.345 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000252107635 377614867 /nfs/dbraw/zinc/61/48/67/377614867.db2.gz JDDRCMQVPAMKKD-ICAOIODUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000252107635 377614872 /nfs/dbraw/zinc/61/48/72/377614872.db2.gz JDDRCMQVPAMKKD-ICAOIODUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC(C)(C)c2ccccc2)CC[N@@H+]1C ZINC000180423407 542210827 /nfs/dbraw/zinc/21/08/27/542210827.db2.gz RCEPGXUKMWPSNO-WBVHZDCISA-N 2 1 274.452 3.379 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000180423407 542210829 /nfs/dbraw/zinc/21/08/29/542210829.db2.gz RCEPGXUKMWPSNO-WBVHZDCISA-N 2 1 274.452 3.379 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CC(C)(C)c2ccccc2)CC[NH+]1C ZINC000180423407 542210831 /nfs/dbraw/zinc/21/08/31/542210831.db2.gz RCEPGXUKMWPSNO-WBVHZDCISA-N 2 1 274.452 3.379 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC(C)(C)c2ccccc2)CC[NH+]1C ZINC000180423407 542210834 /nfs/dbraw/zinc/21/08/34/542210834.db2.gz RCEPGXUKMWPSNO-WBVHZDCISA-N 2 1 274.452 3.379 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000252709936 377654160 /nfs/dbraw/zinc/65/41/60/377654160.db2.gz FFUNKEJNXNFPHH-NVXWUHKLSA-N 2 1 260.425 3.042 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCC2CCCCC2)C1 ZINC000574365487 377654609 /nfs/dbraw/zinc/65/46/09/377654609.db2.gz CDNPLXVJECEKDQ-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCC2CCCCC2)C1 ZINC000574365487 377654619 /nfs/dbraw/zinc/65/46/19/377654619.db2.gz CDNPLXVJECEKDQ-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCC2CCCCC2)C1 ZINC000574365487 377654627 /nfs/dbraw/zinc/65/46/27/377654627.db2.gz CDNPLXVJECEKDQ-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCCC1(C)C)C1CC1 ZINC000574401908 377659768 /nfs/dbraw/zinc/65/97/68/377659768.db2.gz BNRPLBGNUBSFSJ-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252874071 377667065 /nfs/dbraw/zinc/66/70/65/377667065.db2.gz VBXSSWSUWOEOPH-RYQLBKOJSA-N 2 1 288.435 3.033 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000253100503 377676676 /nfs/dbraw/zinc/67/66/76/377676676.db2.gz ABHGOGRSKGRZAS-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000574545133 377679948 /nfs/dbraw/zinc/67/99/48/377679948.db2.gz GACNJADCGGPUAE-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C1CCCCC1 ZINC000574545133 377679956 /nfs/dbraw/zinc/67/99/56/377679956.db2.gz GACNJADCGGPUAE-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CCCCC1 ZINC000574545133 377679963 /nfs/dbraw/zinc/67/99/63/377679963.db2.gz GACNJADCGGPUAE-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ncncc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000574822563 377714721 /nfs/dbraw/zinc/71/47/21/377714721.db2.gz KTLCNBQRGIXOOO-GJZGRUSLSA-N 2 1 290.455 3.090 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000259182297 377804257 /nfs/dbraw/zinc/80/42/57/377804257.db2.gz WFABGVKTMKFCPL-ZIAGYGMSSA-N 2 1 260.406 3.261 20 0 CGADMP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858568 377839727 /nfs/dbraw/zinc/83/97/27/377839727.db2.gz AVYGQUWULUDNAT-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342858568 377839735 /nfs/dbraw/zinc/83/97/35/377839735.db2.gz AVYGQUWULUDNAT-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261549555 377815873 /nfs/dbraw/zinc/81/58/73/377815873.db2.gz KPWKJQATCHSIFK-BXUZGUMPSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261549555 377815878 /nfs/dbraw/zinc/81/58/78/377815878.db2.gz KPWKJQATCHSIFK-BXUZGUMPSA-N 2 1 252.789 3.072 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000261570898 377817766 /nfs/dbraw/zinc/81/77/66/377817766.db2.gz PSRCWPGJXGSCDW-DOTOQJQBSA-N 2 1 260.425 3.459 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000261613838 377826593 /nfs/dbraw/zinc/82/65/93/377826593.db2.gz FHXWETWGILILOS-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP F[C@]1(c2cccc(Cl)c2)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261634526 377831096 /nfs/dbraw/zinc/83/10/96/377831096.db2.gz CTRKESJAIPAFSY-MRXNPFEDSA-N 2 1 296.817 3.210 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1cccc(Cl)c1 ZINC000261650285 377834814 /nfs/dbraw/zinc/83/48/14/377834814.db2.gz AYAHGHMIARIMQV-WFASDCNBSA-N 2 1 266.816 3.114 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000261933309 377869937 /nfs/dbraw/zinc/86/99/37/377869937.db2.gz LTHUIQQOASRBQD-CQSZACIVSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000261933309 377869940 /nfs/dbraw/zinc/86/99/40/377869940.db2.gz LTHUIQQOASRBQD-CQSZACIVSA-N 2 1 284.806 3.443 20 0 CGADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000261956209 377874211 /nfs/dbraw/zinc/87/42/11/377874211.db2.gz OREVXZBVDIAKOT-KDOFPFPSSA-N 2 1 288.435 3.078 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000261982380 377875873 /nfs/dbraw/zinc/87/58/73/377875873.db2.gz RNUKLBOBAGKFAG-HOCLYGCPSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000261982380 377875881 /nfs/dbraw/zinc/87/58/81/377875881.db2.gz RNUKLBOBAGKFAG-HOCLYGCPSA-N 2 1 299.418 3.209 20 0 CGADMP C[C@]1(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC[NH2+]C1 ZINC000262023670 377880351 /nfs/dbraw/zinc/88/03/51/377880351.db2.gz NJGVWADLOIIOQP-RDGPPVDQSA-N 2 1 284.447 3.397 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000262054144 377884909 /nfs/dbraw/zinc/88/49/09/377884909.db2.gz ZYCBVXRMCCAHIR-UHFFFAOYSA-N 2 1 279.236 3.226 20 0 CGADMP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000262089191 377887194 /nfs/dbraw/zinc/88/71/94/377887194.db2.gz UPIPHJOTHQTQDF-ROUUACIJSA-N 2 1 272.436 3.386 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261703344 377842587 /nfs/dbraw/zinc/84/25/87/377842587.db2.gz IRMNGUIRXXEJMI-SJLPKXTDSA-N 2 1 266.388 3.024 20 0 CGADMP CCC(C)(C)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342876704 377851054 /nfs/dbraw/zinc/85/10/54/377851054.db2.gz TYRQMWYYBIEBKN-OAHLLOKOSA-N 2 1 263.429 3.482 20 0 CGADMP CCC(C)(C)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342876704 377851058 /nfs/dbraw/zinc/85/10/58/377851058.db2.gz TYRQMWYYBIEBKN-OAHLLOKOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261809330 377856976 /nfs/dbraw/zinc/85/69/76/377856976.db2.gz HNYHTZUTHUPBEH-LZLYRXPVSA-N 2 1 272.436 3.172 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343091637 377899806 /nfs/dbraw/zinc/89/98/06/377899806.db2.gz GZDGTYMHWLMYMW-OAHLLOKOSA-N 2 1 264.800 3.011 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000577838380 378016036 /nfs/dbraw/zinc/01/60/36/378016036.db2.gz SWMITDRKQAOVOT-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP Clc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000266206770 378016153 /nfs/dbraw/zinc/01/61/53/378016153.db2.gz FLABKHQRAFNUJA-CQSZACIVSA-N 2 1 299.805 3.339 20 0 CGADMP COc1ccccc1/C=C\C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343621948 378044258 /nfs/dbraw/zinc/04/42/58/378044258.db2.gz MVWCNYOXWAUDTB-YFHOEESVSA-N 2 1 288.435 3.126 20 0 CGADMP COc1ccccc1/C=C\C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343621948 378044265 /nfs/dbraw/zinc/04/42/65/378044265.db2.gz MVWCNYOXWAUDTB-YFHOEESVSA-N 2 1 288.435 3.126 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)CCC[NH+]1CCCC1 ZINC000343629107 378047301 /nfs/dbraw/zinc/04/73/01/378047301.db2.gz YCPNGABDCYGZHF-XQRVVYSFSA-N 2 1 294.389 3.396 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1F)CCC[NH+]1CCCC1 ZINC000343629107 378047306 /nfs/dbraw/zinc/04/73/06/378047306.db2.gz YCPNGABDCYGZHF-XQRVVYSFSA-N 2 1 294.389 3.396 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268792003 378112458 /nfs/dbraw/zinc/11/24/58/378112458.db2.gz GKTMTZUBYMOAKI-CYGHRXIMSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268792003 378112462 /nfs/dbraw/zinc/11/24/62/378112462.db2.gz GKTMTZUBYMOAKI-CYGHRXIMSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000578919073 378114238 /nfs/dbraw/zinc/11/42/38/378114238.db2.gz LRJWTFCNYMYWKK-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000578919073 378114242 /nfs/dbraw/zinc/11/42/42/378114242.db2.gz LRJWTFCNYMYWKK-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000578919073 378114250 /nfs/dbraw/zinc/11/42/50/378114250.db2.gz LRJWTFCNYMYWKK-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC1 ZINC000268815096 378119035 /nfs/dbraw/zinc/11/90/35/378119035.db2.gz PLHJSFNGGOJPRZ-QAPCUYQASA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC1 ZINC000268815096 378119045 /nfs/dbraw/zinc/11/90/45/378119045.db2.gz PLHJSFNGGOJPRZ-QAPCUYQASA-N 2 1 272.436 3.287 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)s1 ZINC000268811984 378119617 /nfs/dbraw/zinc/11/96/17/378119617.db2.gz MIEXKYONVMRVLL-NSHDSACASA-N 2 1 263.410 3.166 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268909526 378150540 /nfs/dbraw/zinc/15/05/40/378150540.db2.gz QQNVLORQPJWKHS-AWEZNQCLSA-N 2 1 299.418 3.353 20 0 CGADMP C[N@H+](CC[NH2+]C[C@H]1CC=CCC1)C1CCCCC1 ZINC000343785167 378091487 /nfs/dbraw/zinc/09/14/87/378091487.db2.gz RHAVGRLLNVKUKI-HNNXBMFYSA-N 2 1 250.430 3.197 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@H]1CC=CCC1)C1CCCCC1 ZINC000343785167 378091495 /nfs/dbraw/zinc/09/14/95/378091495.db2.gz RHAVGRLLNVKUKI-HNNXBMFYSA-N 2 1 250.430 3.197 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000579846826 378201240 /nfs/dbraw/zinc/20/12/40/378201240.db2.gz IREVZQCQNQACNA-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000345372559 378269919 /nfs/dbraw/zinc/26/99/19/378269919.db2.gz QCAYCLNMKUNRMZ-AWEZNQCLSA-N 2 1 266.404 3.249 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000269861936 378273507 /nfs/dbraw/zinc/27/35/07/378273507.db2.gz JJLKHRIZMBNUDP-LRDDRELGSA-N 2 1 294.389 3.274 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000269861936 378273511 /nfs/dbraw/zinc/27/35/11/378273511.db2.gz JJLKHRIZMBNUDP-LRDDRELGSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3ncccc3c2)C1 ZINC000582054704 378281580 /nfs/dbraw/zinc/28/15/80/378281580.db2.gz AJTPTKGAUBKLOO-HKUYNNGSSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054704 378281584 /nfs/dbraw/zinc/28/15/84/378281584.db2.gz AJTPTKGAUBKLOO-HKUYNNGSSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054704 378281587 /nfs/dbraw/zinc/28/15/87/378281587.db2.gz AJTPTKGAUBKLOO-HKUYNNGSSA-N 2 1 295.430 3.151 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000580199196 378231420 /nfs/dbraw/zinc/23/14/20/378231420.db2.gz CVBVECIILRBCPD-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000583928674 378359813 /nfs/dbraw/zinc/35/98/13/378359813.db2.gz UXTJYDKDGLMWSA-MNOVXSKESA-N 2 1 261.394 3.014 20 0 CGADMP CSc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000270605179 378374139 /nfs/dbraw/zinc/37/41/39/378374139.db2.gz HLUSGKWWDHVRCF-UHFFFAOYSA-N 2 1 289.448 3.436 20 0 CGADMP CSc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000270605179 378374144 /nfs/dbraw/zinc/37/41/44/378374144.db2.gz HLUSGKWWDHVRCF-UHFFFAOYSA-N 2 1 289.448 3.436 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000270649882 378380977 /nfs/dbraw/zinc/38/09/77/378380977.db2.gz LLTRNPAGPDQAGI-MRXNPFEDSA-N 2 1 257.381 3.178 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000584433967 378383816 /nfs/dbraw/zinc/38/38/16/378383816.db2.gz XSRSKYRHUCNLAE-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000584433967 378383823 /nfs/dbraw/zinc/38/38/23/378383823.db2.gz XSRSKYRHUCNLAE-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000584433967 378383827 /nfs/dbraw/zinc/38/38/27/378383827.db2.gz XSRSKYRHUCNLAE-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000271067947 378445393 /nfs/dbraw/zinc/44/53/93/378445393.db2.gz DKVGVGQIVFUXNS-CZUORRHYSA-N 2 1 269.392 3.338 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181768 378474666 /nfs/dbraw/zinc/47/46/66/378474666.db2.gz HXWJPZBGFYRCAR-PBHICJAKSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181768 378474669 /nfs/dbraw/zinc/47/46/69/378474669.db2.gz HXWJPZBGFYRCAR-PBHICJAKSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181768 378474673 /nfs/dbraw/zinc/47/46/73/378474673.db2.gz HXWJPZBGFYRCAR-PBHICJAKSA-N 2 1 285.435 3.330 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000346175230 378492039 /nfs/dbraw/zinc/49/20/39/378492039.db2.gz NJNMAFHMGSBRQV-YJBOKZPZSA-N 2 1 296.418 3.340 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)c1 ZINC000271910503 378513688 /nfs/dbraw/zinc/51/36/88/378513688.db2.gz XXRJEVZUULAIKM-LJQANCHMSA-N 2 1 284.447 3.168 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000272093536 378562126 /nfs/dbraw/zinc/56/21/26/378562126.db2.gz OQMVWCBVFDSZOJ-GJZGRUSLSA-N 2 1 278.415 3.251 20 0 CGADMP C[C@H]([NH2+]Cc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272168961 378577332 /nfs/dbraw/zinc/57/73/32/378577332.db2.gz HJKYAKKUVSTKHM-FUHWJXTLSA-N 2 1 295.430 3.082 20 0 CGADMP C[C@H]([NH2+]Cc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272168961 378577335 /nfs/dbraw/zinc/57/73/35/378577335.db2.gz HJKYAKKUVSTKHM-FUHWJXTLSA-N 2 1 295.430 3.082 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000272284516 378604012 /nfs/dbraw/zinc/60/40/12/378604012.db2.gz NEIHQKMFEYMTSA-KSSFIOAISA-N 2 1 283.419 3.413 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC1(C)C ZINC000346564212 378623149 /nfs/dbraw/zinc/62/31/49/378623149.db2.gz CMHZOVBGQYDWMQ-OIISXLGYSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC1(C)C ZINC000346564212 378623155 /nfs/dbraw/zinc/62/31/55/378623155.db2.gz CMHZOVBGQYDWMQ-OIISXLGYSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC2)cc1 ZINC000272532912 378659955 /nfs/dbraw/zinc/65/99/55/378659955.db2.gz JLMGOHQKHNLSDR-LBPRGKRZSA-N 2 1 255.365 3.384 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000346658320 378664374 /nfs/dbraw/zinc/66/43/74/378664374.db2.gz UJGXJSXYLWPHRV-CJNGLKHVSA-N 2 1 299.393 3.057 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346956078 378698604 /nfs/dbraw/zinc/69/86/04/378698604.db2.gz BXXINPYDEWFPRA-RDJZCZTQSA-N 2 1 290.476 3.085 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346956078 378698608 /nfs/dbraw/zinc/69/86/08/378698608.db2.gz BXXINPYDEWFPRA-RDJZCZTQSA-N 2 1 290.476 3.085 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346818982 378692989 /nfs/dbraw/zinc/69/29/89/378692989.db2.gz DJXNLVXQZAVARV-JGGQBBKZSA-N 2 1 284.403 3.164 20 0 CGADMP CC[C@H](C)[C@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC000637957880 378646188 /nfs/dbraw/zinc/64/61/88/378646188.db2.gz KTFZWQOKZRINBC-RDJZCZTQSA-N 2 1 284.488 3.100 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000346629603 378652971 /nfs/dbraw/zinc/65/29/71/378652971.db2.gz BHEXDOJJOBXAAD-LSDHHAIUSA-N 2 1 288.435 3.177 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C ZINC000347954222 378738786 /nfs/dbraw/zinc/73/87/86/378738786.db2.gz ZZKVLKYMNUZMAN-KBPBESRZSA-N 2 1 251.418 3.099 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000638116197 378704863 /nfs/dbraw/zinc/70/48/63/378704863.db2.gz HXEKPOPDXCBWQV-GOEBONIOSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3n2C)CC[N@H+]1C ZINC000638116197 378704869 /nfs/dbraw/zinc/70/48/69/378704869.db2.gz HXEKPOPDXCBWQV-GOEBONIOSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3n2C)CC[NH+]1C ZINC000638116197 378704877 /nfs/dbraw/zinc/70/48/77/378704877.db2.gz HXEKPOPDXCBWQV-GOEBONIOSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)CC[NH+]1C ZINC000638116197 378704884 /nfs/dbraw/zinc/70/48/84/378704884.db2.gz HXEKPOPDXCBWQV-GOEBONIOSA-N 2 1 285.435 3.093 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000348113116 378797523 /nfs/dbraw/zinc/79/75/23/378797523.db2.gz FBGQMGAZUDYVOX-GOEBONIOSA-N 2 1 273.424 3.137 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000348129928 378803849 /nfs/dbraw/zinc/80/38/49/378803849.db2.gz ZFCUQGNPAVPECS-SJORKVTESA-N 2 1 260.425 3.417 20 0 CGADMP C(C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C[C@H]1CCO1 ZINC000638521622 378824834 /nfs/dbraw/zinc/82/48/34/378824834.db2.gz CLIGJHAZWMDDCK-MSOLQXFVSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638588488 378842800 /nfs/dbraw/zinc/84/28/00/378842800.db2.gz LXANGBGRDZVCQH-AWEZNQCLSA-N 2 1 262.441 3.341 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346854180 218038522 /nfs/dbraw/zinc/03/85/22/218038522.db2.gz TYHOIGUWMVTLDX-BHYGNILZSA-N 2 1 288.435 3.035 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000638709278 378884525 /nfs/dbraw/zinc/88/45/25/378884525.db2.gz QFQPSCXFCFNDOS-DZJNRPSUSA-N 2 1 272.436 3.253 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C(F)F)cc1 ZINC000348331538 378912873 /nfs/dbraw/zinc/91/28/73/378912873.db2.gz KAASASNBGHCPPA-NZVBXONLSA-N 2 1 291.345 3.485 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348434938 378953238 /nfs/dbraw/zinc/95/32/38/378953238.db2.gz WLNLEIQGYKYMMR-DZJNRPSUSA-N 2 1 290.426 3.377 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276611300 378965826 /nfs/dbraw/zinc/96/58/26/378965826.db2.gz GQRRISHARZJLRN-AWEZNQCLSA-N 2 1 287.407 3.101 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)c(C)c1)C1CC[NH2+]CC1 ZINC000347066282 218111771 /nfs/dbraw/zinc/11/17/71/218111771.db2.gz LQWBGOMWTLMQDC-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000300135598 296285794 /nfs/dbraw/zinc/28/57/94/296285794.db2.gz JJOHOYUSLNQUPQ-MOTUXRJWSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000300135598 296285795 /nfs/dbraw/zinc/28/57/95/296285795.db2.gz JJOHOYUSLNQUPQ-MOTUXRJWSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347187686 218149479 /nfs/dbraw/zinc/14/94/79/218149479.db2.gz CJINYNPAOPSWEB-LSDHHAIUSA-N 2 1 276.424 3.033 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000639117207 379040278 /nfs/dbraw/zinc/04/02/78/379040278.db2.gz DRHLAMGODHMWTO-IMJJTQAJSA-N 2 1 294.389 3.142 20 0 CGADMP C(CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133648 379058216 /nfs/dbraw/zinc/05/82/16/379058216.db2.gz UFUVSSDUEDURCA-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@]1(F)CC[N@@H+](CCCCC[NH+]2CC[C@](C)(F)C2)C1 ZINC000347345311 218196830 /nfs/dbraw/zinc/19/68/30/218196830.db2.gz HXYSQYWNQUDUCX-GASCZTMLSA-N 2 1 274.399 3.025 20 0 CGADMP C[C@@]1(F)CC[NH+](CCCCC[N@@H+]2CC[C@](C)(F)C2)C1 ZINC000347345311 218196831 /nfs/dbraw/zinc/19/68/31/218196831.db2.gz HXYSQYWNQUDUCX-GASCZTMLSA-N 2 1 274.399 3.025 20 0 CGADMP C[C@@]1(F)CC[NH+](CCCCC[N@H+]2CC[C@](C)(F)C2)C1 ZINC000347345311 218196834 /nfs/dbraw/zinc/19/68/34/218196834.db2.gz HXYSQYWNQUDUCX-GASCZTMLSA-N 2 1 274.399 3.025 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347399906 218221033 /nfs/dbraw/zinc/22/10/33/218221033.db2.gz LTGUBYWOZDJXIP-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000639244594 379188422 /nfs/dbraw/zinc/18/84/22/379188422.db2.gz MUJVELSZOICCED-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP CCc1ccccc1CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000277561180 379189080 /nfs/dbraw/zinc/18/90/80/379189080.db2.gz AIINAFPWMAISKP-QAPCUYQASA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000277561180 379189084 /nfs/dbraw/zinc/18/90/84/379189084.db2.gz AIINAFPWMAISKP-QAPCUYQASA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000277561180 379189095 /nfs/dbraw/zinc/18/90/95/379189095.db2.gz AIINAFPWMAISKP-QAPCUYQASA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000277561180 379189104 /nfs/dbraw/zinc/18/91/04/379189104.db2.gz AIINAFPWMAISKP-QAPCUYQASA-N 2 1 274.452 3.206 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1)CCCn1ccnc1 ZINC000349346816 379240524 /nfs/dbraw/zinc/24/05/24/379240524.db2.gz KQTOLEXXUMRZJO-RQOWECAXSA-N 2 1 273.355 3.058 20 0 CGADMP CC[N@@H+](CCC[NH2+]CCC[C@H]1CCO1)C1CCCCC1 ZINC000639292054 379241818 /nfs/dbraw/zinc/24/18/18/379241818.db2.gz ZPVQRHVWNZLIOS-KRWDZBQOSA-N 2 1 282.472 3.190 20 0 CGADMP CC[N@@H+](CCC[NH2+]CCC[C@@H]1CCO1)C1CCCCC1 ZINC000639292055 379242060 /nfs/dbraw/zinc/24/20/60/379242060.db2.gz ZPVQRHVWNZLIOS-QGZVFWFLSA-N 2 1 282.472 3.190 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2c[nH]nc2c1 ZINC000349359764 379247462 /nfs/dbraw/zinc/24/74/62/379247462.db2.gz ZYCUAJHWRFGQBE-UHFFFAOYSA-N 2 1 288.439 3.117 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2c[nH]nc2c1 ZINC000349359764 379247465 /nfs/dbraw/zinc/24/74/65/379247465.db2.gz ZYCUAJHWRFGQBE-UHFFFAOYSA-N 2 1 288.439 3.117 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2ncccc2c1 ZINC000349404677 379265894 /nfs/dbraw/zinc/26/58/94/379265894.db2.gz GKSIOMSQOLVWDN-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278917820 194211643 /nfs/dbraw/zinc/21/16/43/194211643.db2.gz HLCWXPVVDMRQSR-STQMWFEESA-N 2 1 275.421 3.166 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H]2C)cc1 ZINC000639567464 379478455 /nfs/dbraw/zinc/47/84/55/379478455.db2.gz QDRWWXQDQIADHV-GRDNDAEWSA-N 2 1 299.418 3.256 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639755818 379569108 /nfs/dbraw/zinc/56/91/08/379569108.db2.gz NVQNHCZGJAUEFH-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758900 379571955 /nfs/dbraw/zinc/57/19/55/379571955.db2.gz ZCLVCGGKTVOULW-AWEZNQCLSA-N 2 1 299.418 3.307 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757909 379572206 /nfs/dbraw/zinc/57/22/06/379572206.db2.gz MUUUFQDFHPNPPA-MRXNPFEDSA-N 2 1 272.436 3.474 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000280103953 379606264 /nfs/dbraw/zinc/60/62/64/379606264.db2.gz APJYFEGZHNSJAK-YOEHRIQHSA-N 2 1 276.399 3.146 20 0 CGADMP C[N@@H+](Cc1ccsc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377689902 379723028 /nfs/dbraw/zinc/72/30/28/379723028.db2.gz FNIGOLBXGHZJOJ-UHFFFAOYSA-N 2 1 287.432 3.244 20 0 CGADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352246449 379756434 /nfs/dbraw/zinc/75/64/34/379756434.db2.gz PUFUWPVFLCEPOU-ZDUSSCGKSA-N 2 1 289.448 3.098 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280857508 379807140 /nfs/dbraw/zinc/80/71/40/379807140.db2.gz MYMLVAZRDBYDAJ-RDTXWAMCSA-N 2 1 298.434 3.354 20 0 CGADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000352250980 379758908 /nfs/dbraw/zinc/75/89/08/379758908.db2.gz NKQYVTURDGORPE-UPHRSURJSA-N 2 1 292.373 3.194 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(Cl)c1 ZINC000352504744 379839832 /nfs/dbraw/zinc/83/98/32/379839832.db2.gz ULECKKLVHXDXPY-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(Cl)c1 ZINC000352504744 379839837 /nfs/dbraw/zinc/83/98/37/379839837.db2.gz ULECKKLVHXDXPY-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535886 379847470 /nfs/dbraw/zinc/84/74/70/379847470.db2.gz WUBVOPHOFHPFCN-KRWDZBQOSA-N 2 1 286.444 3.477 20 0 CGADMP CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352539423 379848185 /nfs/dbraw/zinc/84/81/85/379848185.db2.gz ALZKVFSGISDVCQ-GFCCVEGCSA-N 2 1 281.469 3.144 20 0 CGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352539423 379848186 /nfs/dbraw/zinc/84/81/86/379848186.db2.gz ALZKVFSGISDVCQ-GFCCVEGCSA-N 2 1 281.469 3.144 20 0 CGADMP COc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352539984 379848810 /nfs/dbraw/zinc/84/88/10/379848810.db2.gz FXQHBFIQBRUYLT-UHFFFAOYSA-N 2 1 276.424 3.036 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000352541394 379849619 /nfs/dbraw/zinc/84/96/19/379849619.db2.gz XJFKRWAPRSIMOE-MJSXRHKHSA-N 2 1 262.372 3.042 20 0 CGADMP CC(C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382037746 379869721 /nfs/dbraw/zinc/86/97/21/379869721.db2.gz HADJYBMLPYQVTL-MSOLQXFVSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382037746 379869726 /nfs/dbraw/zinc/86/97/26/379869726.db2.gz HADJYBMLPYQVTL-MSOLQXFVSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382037746 379869728 /nfs/dbraw/zinc/86/97/28/379869728.db2.gz HADJYBMLPYQVTL-MSOLQXFVSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cn1 ZINC000282445983 379921513 /nfs/dbraw/zinc/92/15/13/379921513.db2.gz ZPECIIUQTNYFFZ-NUJGCVRESA-N 2 1 296.418 3.244 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389409340 379896862 /nfs/dbraw/zinc/89/68/62/379896862.db2.gz KRCXJNBTNBIGRT-MCIONIFRSA-N 2 1 278.827 3.332 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000282484767 379928806 /nfs/dbraw/zinc/92/88/06/379928806.db2.gz HIUZFLCLFMFHKJ-RHSMWYFYSA-N 2 1 285.435 3.030 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)s1 ZINC000352760945 379943601 /nfs/dbraw/zinc/94/36/01/379943601.db2.gz BTSANFNQBNKVOD-BFHYXJOUSA-N 2 1 293.480 3.263 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000267578034 190339124 /nfs/dbraw/zinc/33/91/24/190339124.db2.gz KAXRVENLUQXKJB-VKJFTORMSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000267578034 190339125 /nfs/dbraw/zinc/33/91/25/190339125.db2.gz KAXRVENLUQXKJB-VKJFTORMSA-N 2 1 272.436 3.285 20 0 CGADMP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000400330885 379948061 /nfs/dbraw/zinc/94/80/61/379948061.db2.gz CTJLTHPGXJNLFO-WQVCFCJDSA-N 2 1 264.388 3.253 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352825389 379985040 /nfs/dbraw/zinc/98/50/40/379985040.db2.gz PNGIHOKTJBSKEG-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352825389 379985048 /nfs/dbraw/zinc/98/50/48/379985048.db2.gz PNGIHOKTJBSKEG-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352825389 379985054 /nfs/dbraw/zinc/98/50/54/379985054.db2.gz PNGIHOKTJBSKEG-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC(c3ccccc3)C2)CC[N@H+]1C ZINC000283382648 380058370 /nfs/dbraw/zinc/05/83/70/380058370.db2.gz OUOWMZOXWYCBFX-RYKRPPSOSA-N 2 1 272.436 3.253 20 0 CGADMP CN1CC[C@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931823 380046323 /nfs/dbraw/zinc/04/63/23/380046323.db2.gz OEJQDRLMNCUJPL-BLLLJJGKSA-N 2 1 288.366 3.098 20 0 CGADMP CN1CC[C@H]2CC[N@@H+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931823 380046328 /nfs/dbraw/zinc/04/63/28/380046328.db2.gz OEJQDRLMNCUJPL-BLLLJJGKSA-N 2 1 288.366 3.098 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H](C)C1)CC[N@H+]1CC[C@H](C)C1 ZINC000411215760 380137017 /nfs/dbraw/zinc/13/70/17/380137017.db2.gz RYMQNDHCHGDGHG-PHZGNYQRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@H](C)C1)CC[N@@H+]1CC[C@@H](C)C1 ZINC000411215760 380137025 /nfs/dbraw/zinc/13/70/25/380137025.db2.gz RYMQNDHCHGDGHG-PHZGNYQRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@H](C)C1)CC[N@H+]1CC[C@@H](C)C1 ZINC000411215760 380137031 /nfs/dbraw/zinc/13/70/31/380137031.db2.gz RYMQNDHCHGDGHG-PHZGNYQRSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000641796934 380109914 /nfs/dbraw/zinc/10/99/14/380109914.db2.gz MLWXPCICKMNOII-CZUORRHYSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1ccccc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000642621025 380182118 /nfs/dbraw/zinc/18/21/18/380182118.db2.gz JLNPXMJVSAAZLF-IYBDPMFKSA-N 2 1 274.452 3.453 20 0 CGADMP Cc1[nH+]ccc(N(C)CC[C@H]2CCCC[N@H+]2C)c1Cl ZINC000353168091 380150695 /nfs/dbraw/zinc/15/06/95/380150695.db2.gz AUNLBXGLVOGKFA-CYBMUJFWSA-N 2 1 281.831 3.354 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000353987055 380266843 /nfs/dbraw/zinc/26/68/43/380266843.db2.gz MPSMPQOWXHOEAO-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000353987055 380266850 /nfs/dbraw/zinc/26/68/50/380266850.db2.gz MPSMPQOWXHOEAO-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCC(C)CC1 ZINC000353611480 380215518 /nfs/dbraw/zinc/21/55/18/380215518.db2.gz YQQHMTQOIDGMRZ-MFJUZZNBSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000353906951 380227667 /nfs/dbraw/zinc/22/76/67/380227667.db2.gz BYZJSNYQEOSCBB-CABCVRRESA-N 2 1 269.392 3.493 20 0 CGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)cc1 ZINC000414679002 380369418 /nfs/dbraw/zinc/36/94/18/380369418.db2.gz YWKOXIPGUHPCBR-WBVHZDCISA-N 2 1 276.424 3.206 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)cc1 ZINC000414679002 380369423 /nfs/dbraw/zinc/36/94/23/380369423.db2.gz YWKOXIPGUHPCBR-WBVHZDCISA-N 2 1 276.424 3.206 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225699 380369565 /nfs/dbraw/zinc/36/95/65/380369565.db2.gz SXGFCPCRZUXQEI-ZIAGYGMSSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225697 380369743 /nfs/dbraw/zinc/36/97/43/380369743.db2.gz SXGFCPCRZUXQEI-KGLIPLIRSA-N 2 1 287.407 3.132 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414696593 380379018 /nfs/dbraw/zinc/37/90/18/380379018.db2.gz BAIKPUNRFOHCKG-KONPQCLYSA-N 2 1 272.436 3.253 20 0 CGADMP CC[N@@H+](CCc1cccs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414698866 380379852 /nfs/dbraw/zinc/37/98/52/380379852.db2.gz IENCMNYXPWALFO-KGLIPLIRSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414702970 380381040 /nfs/dbraw/zinc/38/10/40/380381040.db2.gz MBRITJJBOCTXJV-DJIMGWMZSA-N 2 1 290.426 3.078 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414708388 380383488 /nfs/dbraw/zinc/38/34/88/380383488.db2.gz ZURXMCPKXAGWLR-QCODTGAPSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@@H+](CC1CCCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000414713124 380385142 /nfs/dbraw/zinc/38/51/42/380385142.db2.gz KBVDXLYODUUEOK-INIZCTEOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000643526843 380342602 /nfs/dbraw/zinc/34/26/02/380342602.db2.gz AMFDPHYGQUNDTD-HZMBPMFUSA-N 2 1 252.789 3.044 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414657231 380355161 /nfs/dbraw/zinc/35/51/61/380355161.db2.gz NZXNVRFARCXENW-SMDDNHRTSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414657231 380355165 /nfs/dbraw/zinc/35/51/65/380355165.db2.gz NZXNVRFARCXENW-SMDDNHRTSA-N 2 1 286.341 3.232 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414664330 380359049 /nfs/dbraw/zinc/35/90/49/380359049.db2.gz CDYISNJMAIAQMQ-JQHSSLGASA-N 2 1 272.436 3.038 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1F ZINC000414818837 380430930 /nfs/dbraw/zinc/43/09/30/380430930.db2.gz WUNZKFLXLBRBPY-ZFWWWQNUSA-N 2 1 266.404 3.254 20 0 CGADMP C[NH2+]CC[NH2+][C@H](Cc1cccc(Cl)c1)CC(C)C ZINC000414820676 380432629 /nfs/dbraw/zinc/43/26/29/380432629.db2.gz COMDTGPGQRDVKR-HNNXBMFYSA-N 2 1 268.832 3.106 20 0 CGADMP C[NH2+]CC[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414838606 380446074 /nfs/dbraw/zinc/44/60/74/380446074.db2.gz ZCFHIRWQTNDQOL-UHFFFAOYSA-N 2 1 275.223 3.125 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]C1 ZINC000414854619 380455252 /nfs/dbraw/zinc/45/52/52/380455252.db2.gz MBGQSAMROMEKCL-GOEBONIOSA-N 2 1 284.403 3.424 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414774731 380398698 /nfs/dbraw/zinc/39/86/98/380398698.db2.gz FVSMNAJOZMBIDJ-INLBYDQNSA-N 2 1 288.410 3.160 20 0 CGADMP CC(C)Oc1ccc2ccccc2c1C[NH2+]C1CC[NH2+]CC1 ZINC000414781829 380402730 /nfs/dbraw/zinc/40/27/30/380402730.db2.gz DKVOMQZNBKUZME-UHFFFAOYSA-N 2 1 298.430 3.469 20 0 CGADMP Fc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786834 380404891 /nfs/dbraw/zinc/40/48/91/380404891.db2.gz UZBQISAJHLZWRH-KBPBESRZSA-N 2 1 296.817 3.301 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414801487 380414414 /nfs/dbraw/zinc/41/44/14/380414414.db2.gz JHSKZCAWJCTBQE-UHFFFAOYSA-N 2 1 278.396 3.381 20 0 CGADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H](C)C[NH3+] ZINC000414934977 380495895 /nfs/dbraw/zinc/49/58/95/380495895.db2.gz VRLQHWVGEXZSIL-RISCZKNCSA-N 2 1 299.256 3.097 20 0 CGADMP CC1([NH2+]Cc2ccc(-c3ccccc3)o2)CC[NH2+]CC1 ZINC000414946110 380503018 /nfs/dbraw/zinc/50/30/18/380503018.db2.gz SPGJPUMYWBXKJW-UHFFFAOYSA-N 2 1 270.376 3.178 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875756 380470175 /nfs/dbraw/zinc/47/01/75/380470175.db2.gz JNDLGQICESHZMY-IRXDYDNUSA-N 2 1 297.446 3.343 20 0 CGADMP c1ccc([C@H]2CCCC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414891486 380476584 /nfs/dbraw/zinc/47/65/84/380476584.db2.gz ODFIKSHSKVHCKZ-KSZLIROESA-N 2 1 272.436 3.445 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000414895751 380477957 /nfs/dbraw/zinc/47/79/57/380477957.db2.gz ZHKGYRQCUPPORF-LBPRGKRZSA-N 2 1 292.732 3.186 20 0 CGADMP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895053 380478083 /nfs/dbraw/zinc/47/80/83/380478083.db2.gz VLSSHGQHAWBYRH-JGGQBBKZSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1Oc1cccnc1 ZINC000414900967 380481459 /nfs/dbraw/zinc/48/14/59/380481459.db2.gz WQHCGLRZVMUECN-QGZVFWFLSA-N 2 1 297.402 3.009 20 0 CGADMP c1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000355308525 380635583 /nfs/dbraw/zinc/63/55/83/380635583.db2.gz FFJGGBOIWRPVEO-ROUUACIJSA-N 2 1 298.455 3.312 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCOCC2CCC2)CC1 ZINC000419199138 380777996 /nfs/dbraw/zinc/77/79/96/380777996.db2.gz CZZZZPYPCQGNPA-UHFFFAOYSA-N 2 1 296.499 3.247 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420318319 380847433 /nfs/dbraw/zinc/84/74/33/380847433.db2.gz OMELWOCVKNZPGD-DOTOQJQBSA-N 2 1 258.409 3.132 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420313183 380848638 /nfs/dbraw/zinc/84/86/38/380848638.db2.gz XRCJGGOCYPKAKT-JKSUJKDBSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccc(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405054 380852939 /nfs/dbraw/zinc/85/29/39/380852939.db2.gz SOKRFWOBCPXKIB-ROUUACIJSA-N 2 1 272.436 3.002 20 0 CGADMP CCN(CC[C@H]1CCCC[N@H+]1C)Cc1cccs1 ZINC000356831456 380889389 /nfs/dbraw/zinc/88/93/89/380889389.db2.gz ALDCCBWQGSNXTL-CQSZACIVSA-N 2 1 266.454 3.444 20 0 CGADMP CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000356831456 380889397 /nfs/dbraw/zinc/88/93/97/380889397.db2.gz ALDCCBWQGSNXTL-CQSZACIVSA-N 2 1 266.454 3.444 20 0 CGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccs1 ZINC000356831456 380889422 /nfs/dbraw/zinc/88/94/22/380889422.db2.gz ALDCCBWQGSNXTL-CQSZACIVSA-N 2 1 266.454 3.444 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)CC[N@@H+]1C ZINC000356840442 380897033 /nfs/dbraw/zinc/89/70/33/380897033.db2.gz JFXKECLLNDFTFY-DMRZNYOFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)CC[N@H+]1C ZINC000356840442 380897040 /nfs/dbraw/zinc/89/70/40/380897040.db2.gz JFXKECLLNDFTFY-DMRZNYOFSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCCF)CC1)CC1CC1 ZINC000357088284 381024846 /nfs/dbraw/zinc/02/48/46/381024846.db2.gz RDQQXRIHFOJHMX-UHFFFAOYSA-N 2 1 270.436 3.180 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2cccc(OC)c2)CC1 ZINC000357593406 381223712 /nfs/dbraw/zinc/22/37/12/381223712.db2.gz BUURDDXFTVKGRQ-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2cccc(OC)c2)CC1 ZINC000357593406 381223718 /nfs/dbraw/zinc/22/37/18/381223718.db2.gz BUURDDXFTVKGRQ-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000358296190 381301917 /nfs/dbraw/zinc/30/19/17/381301917.db2.gz FGGTVHZMAVJIMX-MSOLQXFVSA-N 2 1 284.447 3.008 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000359093417 381337359 /nfs/dbraw/zinc/33/73/59/381337359.db2.gz TXBAZFJCYXOFOJ-IXDOHACOSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000360029378 381418249 /nfs/dbraw/zinc/41/82/49/381418249.db2.gz MRRSMNWOHVTOGO-SNUQEOBHSA-N 2 1 288.410 3.133 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000360235098 381493141 /nfs/dbraw/zinc/49/31/41/381493141.db2.gz RQTCDFRJZKNGGU-CABCVRRESA-N 2 1 288.435 3.099 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000360240550 381494940 /nfs/dbraw/zinc/49/49/40/381494940.db2.gz FYJRIMVRYDYXHD-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000360240550 381494946 /nfs/dbraw/zinc/49/49/46/381494946.db2.gz FYJRIMVRYDYXHD-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000334856766 207193503 /nfs/dbraw/zinc/19/35/03/207193503.db2.gz KSAQKBSAOYVFKA-MFKMUULPSA-N 2 1 278.783 3.174 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000360981345 381642273 /nfs/dbraw/zinc/64/22/73/381642273.db2.gz KCLRYCUCXAOTAJ-SZMVWBNQSA-N 2 1 272.436 3.082 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1C ZINC000334884637 207241143 /nfs/dbraw/zinc/24/11/43/207241143.db2.gz KUEHHOPQECMZQN-LRDDRELGSA-N 2 1 285.435 3.357 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000361345532 381709383 /nfs/dbraw/zinc/70/93/83/381709383.db2.gz JBCHIOHHXHREAX-GDBMZVCRSA-N 2 1 290.476 3.241 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000361349162 381712032 /nfs/dbraw/zinc/71/20/32/381712032.db2.gz RYXBUDVKWIRZCV-ZWKOTPCHSA-N 2 1 284.447 3.350 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ncsc2c1 ZINC000362712905 382104223 /nfs/dbraw/zinc/10/42/23/382104223.db2.gz BYEWHQIEFYTAFR-DYEKYZERSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ncsc2c1 ZINC000362712905 382104230 /nfs/dbraw/zinc/10/42/30/382104230.db2.gz BYEWHQIEFYTAFR-DYEKYZERSA-N 2 1 289.448 3.430 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC000228535351 542298417 /nfs/dbraw/zinc/29/84/17/542298417.db2.gz AKRZLXYDSFENEK-RBSFLKMASA-N 2 1 280.362 3.183 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CS1 ZINC000365209829 382283147 /nfs/dbraw/zinc/28/31/47/382283147.db2.gz YZBVATVDKWQVRT-USNXZVQNSA-N 2 1 282.497 3.121 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CS1 ZINC000365209829 382283149 /nfs/dbraw/zinc/28/31/49/382283149.db2.gz YZBVATVDKWQVRT-USNXZVQNSA-N 2 1 282.497 3.121 20 0 CGADMP c1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000245861487 542324214 /nfs/dbraw/zinc/32/42/14/542324214.db2.gz OAPUJKCBBIWAJL-IRXDYDNUSA-N 2 1 270.420 3.282 20 0 CGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247042976 542329531 /nfs/dbraw/zinc/32/95/31/542329531.db2.gz YYIJCZWGMKHSLZ-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247042976 542329537 /nfs/dbraw/zinc/32/95/37/542329537.db2.gz YYIJCZWGMKHSLZ-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247042976 542329540 /nfs/dbraw/zinc/32/95/40/542329540.db2.gz YYIJCZWGMKHSLZ-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248391862 542334621 /nfs/dbraw/zinc/33/46/21/542334621.db2.gz CLMQQKNJMQBDAD-IPYPFGDCSA-N 2 1 290.455 3.022 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391862 542334626 /nfs/dbraw/zinc/33/46/26/542334626.db2.gz CLMQQKNJMQBDAD-IPYPFGDCSA-N 2 1 290.455 3.022 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248391865 542334701 /nfs/dbraw/zinc/33/47/01/542334701.db2.gz CLMQQKNJMQBDAD-YDHLFZDLSA-N 2 1 290.455 3.022 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391865 542334703 /nfs/dbraw/zinc/33/47/03/542334703.db2.gz CLMQQKNJMQBDAD-YDHLFZDLSA-N 2 1 290.455 3.022 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251727359 542347050 /nfs/dbraw/zinc/34/70/50/542347050.db2.gz KFXWQGUIBADLOB-DAXOMENPSA-N 2 1 264.388 3.336 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250449485 542343118 /nfs/dbraw/zinc/34/31/18/542343118.db2.gz WSRZGZSHKKJVHX-XJKSGUPXSA-N 2 1 278.465 3.275 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)CC[C@H]1[NH3+] ZINC000251900498 542348875 /nfs/dbraw/zinc/34/88/75/542348875.db2.gz WUQKPYCDAHNFRG-DOTOQJQBSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000252211942 542350064 /nfs/dbraw/zinc/35/00/64/542350064.db2.gz WPBIPHZFXWCCMA-YZDRTPDPSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc3nc(C)ccc3c2)CC[C@H]1[NH3+] ZINC000252943538 542351669 /nfs/dbraw/zinc/35/16/69/542351669.db2.gz CXEXDYYURLASDV-NVXWUHKLSA-N 2 1 283.419 3.102 20 0 CGADMP CSc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415060897 532959039 /nfs/dbraw/zinc/95/90/39/532959039.db2.gz ZGOSJHXETMNCBW-HNNXBMFYSA-N 2 1 264.438 3.016 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000280928403 195032853 /nfs/dbraw/zinc/03/28/53/195032853.db2.gz UVLAVEOWJFNCEV-CVEARBPZSA-N 2 1 290.476 3.167 20 0 CGADMP CC[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435386582 285106784 /nfs/dbraw/zinc/10/67/84/285106784.db2.gz UMUNABHHFBUEHT-QGZVFWFLSA-N 2 1 283.419 3.199 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2)C[C@@H]1C ZINC000353753355 220307306 /nfs/dbraw/zinc/30/73/06/220307306.db2.gz WHDVNHVJFJSUFY-RDJZCZTQSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C[C@@H]1C ZINC000353753355 220307310 /nfs/dbraw/zinc/30/73/10/220307310.db2.gz WHDVNHVJFJSUFY-RDJZCZTQSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C[C@@H]1C ZINC000353753355 220307312 /nfs/dbraw/zinc/30/73/12/220307312.db2.gz WHDVNHVJFJSUFY-RDJZCZTQSA-N 2 1 260.425 3.300 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765996 220314777 /nfs/dbraw/zinc/31/47/77/220314777.db2.gz FVRBILNOYBJMCW-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765996 220314780 /nfs/dbraw/zinc/31/47/80/220314780.db2.gz FVRBILNOYBJMCW-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765996 220314783 /nfs/dbraw/zinc/31/47/83/220314783.db2.gz FVRBILNOYBJMCW-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765996 220314784 /nfs/dbraw/zinc/31/47/84/220314784.db2.gz FVRBILNOYBJMCW-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP COC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423350546 533092651 /nfs/dbraw/zinc/09/26/51/533092651.db2.gz XTJRMCSOKMZIDY-JKSUJKDBSA-N 2 1 296.842 3.007 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000414055250 533170691 /nfs/dbraw/zinc/17/06/91/533170691.db2.gz CIQIJXDFPYHXAO-LSDHHAIUSA-N 2 1 288.435 3.139 20 0 CGADMP COCC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000449094895 533169953 /nfs/dbraw/zinc/16/99/53/533169953.db2.gz UWHYGPXWYCZSRG-GTPINHCMSA-N 2 1 296.499 3.292 20 0 CGADMP COCC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000449094895 533169964 /nfs/dbraw/zinc/16/99/64/533169964.db2.gz UWHYGPXWYCZSRG-GTPINHCMSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000309761272 542426514 /nfs/dbraw/zinc/42/65/14/542426514.db2.gz YBCYRXYDMZHFAS-LJQANCHMSA-N 2 1 295.430 3.002 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc2n1 ZINC000334375213 542456020 /nfs/dbraw/zinc/45/60/20/542456020.db2.gz UUBAKQPJZFNCRH-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340181166 542489971 /nfs/dbraw/zinc/48/99/71/542489971.db2.gz MEXMMDRWHKWDIO-RRQGHBQHSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340181166 542489974 /nfs/dbraw/zinc/48/99/74/542489974.db2.gz MEXMMDRWHKWDIO-RRQGHBQHSA-N 2 1 258.409 3.210 20 0 CGADMP COCC[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357011806 542574454 /nfs/dbraw/zinc/57/44/54/542574454.db2.gz JTGVVLXKYUWLHJ-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423328864 533412646 /nfs/dbraw/zinc/41/26/46/533412646.db2.gz SNBMNGLUXWZDFG-NOZJJQNGSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1nccc2ccccc21 ZINC000423392579 533525517 /nfs/dbraw/zinc/52/55/17/533525517.db2.gz XSSOIXKAABJVMA-UMVBOHGHSA-N 2 1 269.392 3.026 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1nccc2ccccc21 ZINC000423392577 533547189 /nfs/dbraw/zinc/54/71/89/533547189.db2.gz XSSOIXKAABJVMA-NFAWXSAZSA-N 2 1 269.392 3.026 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000423260900 533608600 /nfs/dbraw/zinc/60/86/00/533608600.db2.gz IRADGUAXIQBFIU-KGLIPLIRSA-N 2 1 294.439 3.036 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358201309 533643257 /nfs/dbraw/zinc/64/32/57/533643257.db2.gz KDDHWHQDBPUYTP-WBVHZDCISA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000358201309 533643261 /nfs/dbraw/zinc/64/32/61/533643261.db2.gz KDDHWHQDBPUYTP-WBVHZDCISA-N 2 1 272.436 3.429 20 0 CGADMP Cc1c[nH+]ccc1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000381088172 542596380 /nfs/dbraw/zinc/59/63/80/542596380.db2.gz VTSDGKORIVMTOF-GOSISDBHSA-N 2 1 295.430 3.136 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000409445278 542628551 /nfs/dbraw/zinc/62/85/51/542628551.db2.gz RMOWODWSBXHRMZ-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000414922472 542640430 /nfs/dbraw/zinc/64/04/30/542640430.db2.gz GYIPYMOLDPZNBB-ZJUUUORDSA-N 2 1 291.197 3.492 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC000417346429 542644102 /nfs/dbraw/zinc/64/41/02/542644102.db2.gz ZKTVVCMTFVZXDC-IKGGRYGDSA-N 2 1 270.420 3.212 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC000417346429 542644107 /nfs/dbraw/zinc/64/41/07/542644107.db2.gz ZKTVVCMTFVZXDC-IKGGRYGDSA-N 2 1 270.420 3.212 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC000047848519 391991422 /nfs/dbraw/zinc/99/14/22/391991422.db2.gz HOPRWUFCQAKHFD-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC000047848519 391991424 /nfs/dbraw/zinc/99/14/24/391991424.db2.gz HOPRWUFCQAKHFD-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000054463623 392092245 /nfs/dbraw/zinc/09/22/45/392092245.db2.gz BTGDRNHGMVYOCG-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC[C@H](C)C2)CC[NH+]1C ZINC000092799310 392233004 /nfs/dbraw/zinc/23/30/04/392233004.db2.gz XRUAFYADRIKAJC-XUWVNRHRSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC[C@H](C)C2)CC[NH+]1C ZINC000092799310 392233006 /nfs/dbraw/zinc/23/30/06/392233006.db2.gz XRUAFYADRIKAJC-XUWVNRHRSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC[C@H](C)C2)CC[N@@H+]1C ZINC000092799310 392233010 /nfs/dbraw/zinc/23/30/10/392233010.db2.gz XRUAFYADRIKAJC-XUWVNRHRSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC[C@H](C)C2)CC[N@H+]1C ZINC000092799310 392233013 /nfs/dbraw/zinc/23/30/13/392233013.db2.gz XRUAFYADRIKAJC-XUWVNRHRSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H](CC[N@@H+](C)CC1CCC1)[NH+](C)CC1CCC1 ZINC000431599183 542653005 /nfs/dbraw/zinc/65/30/05/542653005.db2.gz FRXDNLKFYWCKFL-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+](C)CC1CCC1)[N@H+](C)CC1CCC1 ZINC000431599183 542653006 /nfs/dbraw/zinc/65/30/06/542653006.db2.gz FRXDNLKFYWCKFL-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+](C)CC1CCC1)[N@@H+](C)CC1CCC1 ZINC000431599183 542653007 /nfs/dbraw/zinc/65/30/07/542653007.db2.gz FRXDNLKFYWCKFL-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@H](C)[C@@H]1C)[NH+]1CC[C@H](C)[C@@H]1C ZINC000431599960 542653014 /nfs/dbraw/zinc/65/30/14/542653014.db2.gz LCMHCHNAJFFOOW-YXMSTPNBSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000431599960 542653015 /nfs/dbraw/zinc/65/30/15/542653015.db2.gz LCMHCHNAJFFOOW-YXMSTPNBSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@H](C)[C@@H]1C ZINC000431599960 542653016 /nfs/dbraw/zinc/65/30/16/542653016.db2.gz LCMHCHNAJFFOOW-YXMSTPNBSA-N 2 1 252.446 3.226 20 0 CGADMP Cc1cccc(CCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285580059 392326461 /nfs/dbraw/zinc/32/64/61/392326461.db2.gz TXDBMDWZPMNWKK-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285580059 392326467 /nfs/dbraw/zinc/32/64/67/392326467.db2.gz TXDBMDWZPMNWKK-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cccc(CCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285580059 392326472 /nfs/dbraw/zinc/32/64/72/392326472.db2.gz TXDBMDWZPMNWKK-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000246858340 131098089 /nfs/dbraw/zinc/09/80/89/131098089.db2.gz CKADZIAHNRZWTG-JZXOWHBKSA-N 2 1 290.451 3.082 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247024961 131100255 /nfs/dbraw/zinc/10/02/55/131100255.db2.gz UYUFBDSYDWGQJD-CHWSQXEVSA-N 2 1 289.448 3.289 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000249373108 131121648 /nfs/dbraw/zinc/12/16/48/131121648.db2.gz FGPJKZUCASHMQO-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP CC/C=C/C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453326501 542680585 /nfs/dbraw/zinc/68/05/85/542680585.db2.gz SGXUSWXDKQTWMM-OCQNNJOQSA-N 2 1 258.409 3.378 20 0 CGADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453326501 542680590 /nfs/dbraw/zinc/68/05/90/542680590.db2.gz SGXUSWXDKQTWMM-OCQNNJOQSA-N 2 1 258.409 3.378 20 0 CGADMP CC(C)OC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000367057118 392463434 /nfs/dbraw/zinc/46/34/34/392463434.db2.gz FZAHGXBDAFRKAO-INIZCTEOSA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947353 392489601 /nfs/dbraw/zinc/48/96/01/392489601.db2.gz PSTQBLIHWIKCHP-XIRDDKMYSA-N 2 1 290.451 3.465 20 0 CGADMP CC[C@H](N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947353 392489605 /nfs/dbraw/zinc/48/96/05/392489605.db2.gz PSTQBLIHWIKCHP-XIRDDKMYSA-N 2 1 290.451 3.465 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000369222819 392497910 /nfs/dbraw/zinc/49/79/10/392497910.db2.gz BVYPGKFKZDZPBI-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292258911 392502283 /nfs/dbraw/zinc/50/22/83/392502283.db2.gz YJAZFFATIJXODL-RDJZCZTQSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292258911 392502290 /nfs/dbraw/zinc/50/22/90/392502290.db2.gz YJAZFFATIJXODL-RDJZCZTQSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292258911 392502297 /nfs/dbraw/zinc/50/22/97/392502297.db2.gz YJAZFFATIJXODL-RDJZCZTQSA-N 2 1 258.409 3.084 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccn1 ZINC000152379941 392505791 /nfs/dbraw/zinc/50/57/91/392505791.db2.gz SDKTWKOOOVTCRL-YJBOKZPZSA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000152379941 392505796 /nfs/dbraw/zinc/50/57/96/392505796.db2.gz SDKTWKOOOVTCRL-YJBOKZPZSA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000647289965 392640824 /nfs/dbraw/zinc/64/08/24/392640824.db2.gz RCDZTGUZWSOBBJ-UAGQMJEPSA-N 2 1 275.440 3.241 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000647289965 392640833 /nfs/dbraw/zinc/64/08/33/392640833.db2.gz RCDZTGUZWSOBBJ-UAGQMJEPSA-N 2 1 275.440 3.241 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647307601 392656723 /nfs/dbraw/zinc/65/67/23/392656723.db2.gz DHLBVYUIIOSRPM-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480170 392735022 /nfs/dbraw/zinc/73/50/22/392735022.db2.gz DHYJAHFTMMIUDV-WMZOPIPTSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000647479689 392735103 /nfs/dbraw/zinc/73/51/03/392735103.db2.gz PVEXZQXAWFTLQV-HFTRVMKXSA-N 2 1 290.426 3.393 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000507498105 392735352 /nfs/dbraw/zinc/73/53/52/392735352.db2.gz UEFSVDANLKVJEL-MSOLQXFVSA-N 2 1 297.531 3.064 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647498342 392742557 /nfs/dbraw/zinc/74/25/57/392742557.db2.gz FOWJELRZKKWESS-WMZOPIPTSA-N 2 1 290.451 3.281 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC(C)C)cc2)CC[C@H]1[NH3+] ZINC000647498341 392742907 /nfs/dbraw/zinc/74/29/07/392742907.db2.gz FOWJELRZKKWESS-SJLPKXTDSA-N 2 1 290.451 3.281 20 0 CGADMP CCC[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534952 392755752 /nfs/dbraw/zinc/75/57/52/392755752.db2.gz ZFCXEEUIWJJDIK-RCCFBDPRSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534952 392755762 /nfs/dbraw/zinc/75/57/62/392755762.db2.gz ZFCXEEUIWJJDIK-RCCFBDPRSA-N 2 1 272.436 3.254 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc2cn1 ZINC000647545718 392761784 /nfs/dbraw/zinc/76/17/84/392761784.db2.gz JQZSESBQSHSSJE-OALUTQOASA-N 2 1 295.430 3.056 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544289 392762686 /nfs/dbraw/zinc/76/26/86/392762686.db2.gz YZKHPEOVSFQHHN-SJLPKXTDSA-N 2 1 272.436 3.207 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC000647707509 392786524 /nfs/dbraw/zinc/78/65/24/392786524.db2.gz UQFRASNMAZGULV-KBPBESRZSA-N 2 1 255.365 3.225 20 0 CGADMP C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000375508731 392787525 /nfs/dbraw/zinc/78/75/25/392787525.db2.gz UUOZXHSVXAYLTL-HOCLYGCPSA-N 2 1 288.435 3.463 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647873426 392818574 /nfs/dbraw/zinc/81/85/74/392818574.db2.gz HYUJTZACNYDSOB-ZDUSSCGKSA-N 2 1 272.392 3.037 20 0 CGADMP Fc1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)c(F)c1 ZINC000647879595 392823397 /nfs/dbraw/zinc/82/33/97/392823397.db2.gz XQHLIUBVLVKPSV-ZDUSSCGKSA-N 2 1 294.389 3.319 20 0 CGADMP Fc1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)c(F)c1 ZINC000647879595 392823401 /nfs/dbraw/zinc/82/34/01/392823401.db2.gz XQHLIUBVLVKPSV-ZDUSSCGKSA-N 2 1 294.389 3.319 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000647890051 392829002 /nfs/dbraw/zinc/82/90/02/392829002.db2.gz KBYORWLKERAGAY-FUHWJXTLSA-N 2 1 292.442 3.324 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903274 392829373 /nfs/dbraw/zinc/82/93/73/392829373.db2.gz INKLOJXAHXCMFW-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC1([NH3+])CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000647924088 392834996 /nfs/dbraw/zinc/83/49/96/392834996.db2.gz DQFXDHYGYFOSJX-AWEZNQCLSA-N 2 1 264.800 3.141 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000513660324 392854313 /nfs/dbraw/zinc/85/43/13/392854313.db2.gz HKPDZGCRLWCSRX-HHARLNAUSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](CC[NH2+]Cc1scnc1C1CC1)[NH+]1CCCCC1 ZINC000487545987 542712373 /nfs/dbraw/zinc/71/23/73/542712373.db2.gz YZHDBOHLLQVDCB-CYBMUJFWSA-N 2 1 293.480 3.375 20 0 CGADMP CC(C)(C)[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000647992172 392860354 /nfs/dbraw/zinc/86/03/54/392860354.db2.gz NLRYZWFRCWHIMG-XHDPSFHLSA-N 2 1 282.378 3.251 20 0 CGADMP C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1[NH3+] ZINC000336537721 392860523 /nfs/dbraw/zinc/86/05/23/392860523.db2.gz AHHBLZIJZGYREH-XHDPSFHLSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1[NH3+] ZINC000336537721 392860526 /nfs/dbraw/zinc/86/05/26/392860526.db2.gz AHHBLZIJZGYREH-XHDPSFHLSA-N 2 1 289.810 3.057 20 0 CGADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(C(C)(C)C)s3)C[C@H]2C1 ZINC000194538811 392926411 /nfs/dbraw/zinc/92/64/11/392926411.db2.gz RFACVDVNHZNGKB-BETUJISGSA-N 2 1 278.465 3.039 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)s3)C[C@@H]2C1 ZINC000194538811 392926435 /nfs/dbraw/zinc/92/64/35/392926435.db2.gz RFACVDVNHZNGKB-BETUJISGSA-N 2 1 278.465 3.039 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)s3)C[C@@H]2C1 ZINC000194538811 392926440 /nfs/dbraw/zinc/92/64/40/392926440.db2.gz RFACVDVNHZNGKB-BETUJISGSA-N 2 1 278.465 3.039 20 0 CGADMP CCCC1CCC(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000194536098 392926747 /nfs/dbraw/zinc/92/67/47/392926747.db2.gz JLKBPEWAWIGAEU-UCUFBTAOSA-N 2 1 264.457 3.086 20 0 CGADMP CCCC1CCC(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000194536098 392926758 /nfs/dbraw/zinc/92/67/58/392926758.db2.gz JLKBPEWAWIGAEU-UCUFBTAOSA-N 2 1 264.457 3.086 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)[C@H]2CCC[NH2+]CC2)C1 ZINC000394551601 392938431 /nfs/dbraw/zinc/93/84/31/392938431.db2.gz ZKFZSTOYEVKDDF-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000514084496 542734189 /nfs/dbraw/zinc/73/41/89/542734189.db2.gz QEWQUKQUDYKNMT-OALUTQOASA-N 2 1 286.463 3.459 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000514084496 542734193 /nfs/dbraw/zinc/73/41/93/542734193.db2.gz QEWQUKQUDYKNMT-OALUTQOASA-N 2 1 286.463 3.459 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000401568497 392951085 /nfs/dbraw/zinc/95/10/85/392951085.db2.gz CORHBPTYLFOTRC-XHSDSOJGSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccncc2)C[C@H]1c1ccccc1 ZINC000340266800 392968102 /nfs/dbraw/zinc/96/81/02/392968102.db2.gz WUEIKWXUZVRDPD-MOPGFXCFSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2)C[C@H]1c1ccccc1 ZINC000340266800 392968108 /nfs/dbraw/zinc/96/81/08/392968108.db2.gz WUEIKWXUZVRDPD-MOPGFXCFSA-N 2 1 295.430 3.049 20 0 CGADMP Cc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000195445600 392968435 /nfs/dbraw/zinc/96/84/35/392968435.db2.gz KXRNTCHPDHSLOQ-OCCSQVGLSA-N 2 1 278.827 3.363 20 0 CGADMP CCCC[C@H](CC)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000546932237 393082075 /nfs/dbraw/zinc/08/20/75/393082075.db2.gz TYULPGUGNBPWRX-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000546932237 393082082 /nfs/dbraw/zinc/08/20/82/393082082.db2.gz TYULPGUGNBPWRX-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000546932237 393082088 /nfs/dbraw/zinc/08/20/88/393082088.db2.gz TYULPGUGNBPWRX-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414991747 393082131 /nfs/dbraw/zinc/08/21/31/393082131.db2.gz AZHFOXZWPRDDLS-AVGNSLFASA-N 2 1 262.388 3.036 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414991142 393082560 /nfs/dbraw/zinc/08/25/60/393082560.db2.gz AKDDSOMRMODPGX-QWHCGFSZSA-N 2 1 262.388 3.036 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000414170676 393041204 /nfs/dbraw/zinc/04/12/04/393041204.db2.gz CCGDHDYOPQBROE-RHSMWYFYSA-N 2 1 293.430 3.239 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000246039519 393050635 /nfs/dbraw/zinc/05/06/35/393050635.db2.gz AJAFSJVBZXTZJQ-YXJHDRRASA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000246039519 393050643 /nfs/dbraw/zinc/05/06/43/393050643.db2.gz AJAFSJVBZXTZJQ-YXJHDRRASA-N 2 1 272.436 3.445 20 0 CGADMP CC1CCC([N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)CC1 ZINC000414713492 393053025 /nfs/dbraw/zinc/05/30/25/393053025.db2.gz VRIIITOXWCACLZ-PYBGIAKNSA-N 2 1 264.457 3.418 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000246275400 393056200 /nfs/dbraw/zinc/05/62/00/393056200.db2.gz BALSRYUZGAUCBB-APHBMKBZSA-N 2 1 296.842 3.100 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414956653 393062357 /nfs/dbraw/zinc/06/23/57/393062357.db2.gz PYKZQALPPLGITM-XUJVJEKNSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414954776 393062630 /nfs/dbraw/zinc/06/26/30/393062630.db2.gz KVVXJYVRMZLUEV-ZANVPECISA-N 2 1 273.207 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1Cl ZINC000415050994 393113043 /nfs/dbraw/zinc/11/30/43/393113043.db2.gz FLMHOGCYEGLMSW-CYBMUJFWSA-N 2 1 254.805 3.111 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000348111108 393114551 /nfs/dbraw/zinc/11/45/51/393114551.db2.gz VMRQBNMUJXOLTH-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1Br ZINC000415052468 393115221 /nfs/dbraw/zinc/11/52/21/393115221.db2.gz HPUPDXKZFWGSEK-ZDUSSCGKSA-N 2 1 299.256 3.221 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415054474 393117183 /nfs/dbraw/zinc/11/71/83/393117183.db2.gz MCRAQSCVGMWDPZ-GDBMZVCRSA-N 2 1 262.441 3.218 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415056615 393117925 /nfs/dbraw/zinc/11/79/25/393117925.db2.gz SRGFUSYECKQUQO-YDZRNGNQSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000251450733 393118330 /nfs/dbraw/zinc/11/83/30/393118330.db2.gz BRSHVTTUSHJQCQ-LXZKKBNFSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348533714 393125191 /nfs/dbraw/zinc/12/51/91/393125191.db2.gz LJIJUHVTKYVWFS-YRBFXIGRSA-N 2 1 288.435 3.014 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415067392 393126665 /nfs/dbraw/zinc/12/66/65/393126665.db2.gz PBFNCAMUALWCOA-MAUKXSAKSA-N 2 1 274.452 3.423 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071228 393128113 /nfs/dbraw/zinc/12/81/13/393128113.db2.gz WDJXYOOTEVPTMI-YOEHRIQHSA-N 2 1 260.425 3.115 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccnc1 ZINC000415079110 393132407 /nfs/dbraw/zinc/13/24/07/393132407.db2.gz HHKATQZIWGKGBG-BMGDILEWSA-N 2 1 281.403 3.226 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc2ccccc2c1 ZINC000258888625 393138141 /nfs/dbraw/zinc/13/81/41/393138141.db2.gz CJBGDPVBVUETNR-HNNXBMFYSA-N 2 1 268.404 3.271 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000415085000 393138144 /nfs/dbraw/zinc/13/81/44/393138144.db2.gz POJPWQCRLVBYEG-ZDUSSCGKSA-N 2 1 284.350 3.081 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2s1 ZINC000415128524 393153468 /nfs/dbraw/zinc/15/34/68/393153468.db2.gz OFOLQLLZHVBXCW-RISCZKNCSA-N 2 1 289.448 3.021 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415138760 393156023 /nfs/dbraw/zinc/15/60/23/393156023.db2.gz ZCVHZQXCSZJLCC-HIFRSBDPSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415135394 393156443 /nfs/dbraw/zinc/15/64/43/393156443.db2.gz WQJLCKWBGYOZKC-NUJGCVRESA-N 2 1 274.452 3.172 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CCO1 ZINC000648639392 393158402 /nfs/dbraw/zinc/15/84/02/393158402.db2.gz WYTDOGFAWSKNST-IXDOHACOSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000353254646 393217439 /nfs/dbraw/zinc/21/74/39/393217439.db2.gz WUWXFXDLPMAQFR-DYEKYZERSA-N 2 1 274.399 3.273 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000353254646 393217442 /nfs/dbraw/zinc/21/74/42/393217442.db2.gz WUWXFXDLPMAQFR-DYEKYZERSA-N 2 1 274.399 3.273 20 0 CGADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269045366 393218831 /nfs/dbraw/zinc/21/88/31/393218831.db2.gz UUUUGPPYMDSLPS-SFHVURJKSA-N 2 1 288.410 3.420 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000353940900 393235617 /nfs/dbraw/zinc/23/56/17/393235617.db2.gz CWKOKDLADSVPEJ-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)c1ccc(CC[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000470295201 393239055 /nfs/dbraw/zinc/23/90/55/393239055.db2.gz CXTOZMQYXGDJMI-UHFFFAOYSA-N 2 1 272.436 3.204 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000268785933 393204802 /nfs/dbraw/zinc/20/48/02/393204802.db2.gz VQWPESNXZAOVAL-VKJFTORMSA-N 2 1 297.446 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268856551 393206826 /nfs/dbraw/zinc/20/68/26/393206826.db2.gz IKKMFYXLNXLYJG-OHFALNGGSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268856551 393206831 /nfs/dbraw/zinc/20/68/31/393206831.db2.gz IKKMFYXLNXLYJG-OHFALNGGSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000469797943 393216810 /nfs/dbraw/zinc/21/68/10/393216810.db2.gz DXSRCKFZBJBXNY-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+](Cc1cncc(C[N@H+](C)C2CCC2)c1)C1CCC1 ZINC000649323935 393401079 /nfs/dbraw/zinc/40/10/79/393401079.db2.gz SMVGAFPYIIUHQY-UHFFFAOYSA-N 2 1 273.424 3.050 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281762509 393354078 /nfs/dbraw/zinc/35/40/78/393354078.db2.gz WKYRRFMWAWADIN-KRWDZBQOSA-N 2 1 291.414 3.134 20 0 CGADMP c1ccc2sc([C@@H]3CCC[N@H+]3C[C@@H]3CC[NH2+]C3)nc2c1 ZINC000649411161 393414941 /nfs/dbraw/zinc/41/49/41/393414941.db2.gz YUDRIFNNXDBCGO-OCCSQVGLSA-N 2 1 287.432 3.043 20 0 CGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3C[C@@H]3CC[NH2+]C3)nc2c1 ZINC000649411161 393414946 /nfs/dbraw/zinc/41/49/46/393414946.db2.gz YUDRIFNNXDBCGO-OCCSQVGLSA-N 2 1 287.432 3.043 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000479438637 393432631 /nfs/dbraw/zinc/43/26/31/393432631.db2.gz QRRNXKQHWZKGKU-CAOSSQGBSA-N 2 1 250.430 3.051 20 0 CGADMP Fc1cccc(F)c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420380966 393480898 /nfs/dbraw/zinc/48/08/98/393480898.db2.gz XDYQNWALRUHUDF-CYBMUJFWSA-N 2 1 294.389 3.319 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000481577099 393437852 /nfs/dbraw/zinc/43/78/52/393437852.db2.gz SHKJSWGISHTPCD-AYDFFVQHSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294938 393451424 /nfs/dbraw/zinc/45/14/24/393451424.db2.gz BOFUIUKPEXWANU-BFYDXBDKSA-N 2 1 290.426 3.393 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000420293752 393451661 /nfs/dbraw/zinc/45/16/61/393451661.db2.gz AHSYBMIYHCSGRR-RYRKJORJSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000420295015 393451823 /nfs/dbraw/zinc/45/18/23/393451823.db2.gz BTUAUXZEDJPADF-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000420398935 393482504 /nfs/dbraw/zinc/48/25/04/393482504.db2.gz HFOWPNICEHEYHL-LBPRGKRZSA-N 2 1 274.330 3.341 20 0 CGADMP C[C@]1(c2ccccc2)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311391 393459464 /nfs/dbraw/zinc/45/94/64/393459464.db2.gz VTIXTACHEINQKB-AEFFLSMTSA-N 2 1 272.436 3.040 20 0 CGADMP FCCCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420311612 393461265 /nfs/dbraw/zinc/46/12/65/393461265.db2.gz NUNPAZLUDAFVDG-QGZVFWFLSA-N 2 1 293.430 3.166 20 0 CGADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420314707 393461450 /nfs/dbraw/zinc/46/14/50/393461450.db2.gz ZJGCHGDARAYPPB-STQMWFEESA-N 2 1 289.448 3.289 20 0 CGADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420314705 393461830 /nfs/dbraw/zinc/46/18/30/393461830.db2.gz ZJGCHGDARAYPPB-QWHCGFSZSA-N 2 1 289.448 3.289 20 0 CGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420316647 393463431 /nfs/dbraw/zinc/46/34/31/393463431.db2.gz MWLKAKMXESLBJH-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420322829 393465125 /nfs/dbraw/zinc/46/51/25/393465125.db2.gz SNHRMHFCVMOOJI-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP Fc1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC000420320032 393465285 /nfs/dbraw/zinc/46/52/85/393465285.db2.gz QCQDNIODOQRBAV-ZDUSSCGKSA-N 2 1 294.389 3.319 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420324351 393467741 /nfs/dbraw/zinc/46/77/41/393467741.db2.gz VBJSLUDZVJPFNP-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[N@@H+](CCOc1ccccc1Cl)CC[C@@H]1CCC[NH2+]C1 ZINC000420326228 393468025 /nfs/dbraw/zinc/46/80/25/393468025.db2.gz WZNNJTZCHXXFDQ-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326052 393468143 /nfs/dbraw/zinc/46/81/43/393468143.db2.gz JBPLPAPXHKTVOD-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329675 393469835 /nfs/dbraw/zinc/46/98/35/393469835.db2.gz OROZAEWRFBWMAT-MCIONIFRSA-N 2 1 294.389 3.347 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@H](C[NH3+])C(C)(C)C)cc1C ZINC000420356833 393473118 /nfs/dbraw/zinc/47/31/18/393473118.db2.gz GSECKIDINHSXSH-MRXNPFEDSA-N 2 1 278.440 3.035 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CCC1 ZINC000429520223 393473602 /nfs/dbraw/zinc/47/36/02/393473602.db2.gz LKMWYEBRQVTSBP-RDJZCZTQSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429536147 393475823 /nfs/dbraw/zinc/47/58/23/393475823.db2.gz DZXLLDKGCSWYJQ-SJLPKXTDSA-N 2 1 274.452 3.424 20 0 CGADMP COc1cccc(CCC[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420368191 393476320 /nfs/dbraw/zinc/47/63/20/393476320.db2.gz NJEXJWKZJBCYOV-GOSISDBHSA-N 2 1 290.451 3.125 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488290267 393479566 /nfs/dbraw/zinc/47/95/66/393479566.db2.gz HIUKTPNZOZNGQV-BPQIPLTHSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488290267 393479573 /nfs/dbraw/zinc/47/95/73/393479573.db2.gz HIUKTPNZOZNGQV-BPQIPLTHSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488290267 393479583 /nfs/dbraw/zinc/47/95/83/393479583.db2.gz HIUKTPNZOZNGQV-BPQIPLTHSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000488422785 393507490 /nfs/dbraw/zinc/50/74/90/393507490.db2.gz YXSQHCRYYZNVCA-YOEHRIQHSA-N 2 1 260.425 3.272 20 0 CGADMP CC1=C[C@H](C)C[NH+](CCC[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430261886 393553020 /nfs/dbraw/zinc/55/30/20/393553020.db2.gz KLEKKXGWDYXVMA-HOCLYGCPSA-N 2 1 262.441 3.173 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954816 393556528 /nfs/dbraw/zinc/55/65/28/393556528.db2.gz VKPQHMMARSZHJG-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954816 393556531 /nfs/dbraw/zinc/55/65/31/393556531.db2.gz VKPQHMMARSZHJG-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954816 393556534 /nfs/dbraw/zinc/55/65/34/393556534.db2.gz VKPQHMMARSZHJG-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)CC[NH2+]1 ZINC000666654553 542806021 /nfs/dbraw/zinc/80/60/21/542806021.db2.gz RCVHEFAWGJOMMO-YVECIDJPSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC2(C)C)([NH+](C)C)C1 ZINC000310931661 296493733 /nfs/dbraw/zinc/49/37/33/296493733.db2.gz LTMYPBICSPQRHG-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000430735402 393592307 /nfs/dbraw/zinc/59/23/07/393592307.db2.gz YXFHPSNEFQYHHC-JONQDZQNSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCSc2ccc(C)c(C)c2)C1 ZINC000430609298 393579739 /nfs/dbraw/zinc/57/97/39/393579739.db2.gz HFILTVVJIAAFAC-MRXNPFEDSA-N 2 1 292.492 3.327 20 0 CGADMP C[C@@](C[NH3+])([NH2+]CCCOc1cccc2ccccc21)C1CC1 ZINC000430592143 393579783 /nfs/dbraw/zinc/57/97/83/393579783.db2.gz CEWJBYPEUYJZNY-IBGZPJMESA-N 2 1 298.430 3.326 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289518 393679502 /nfs/dbraw/zinc/67/95/02/393679502.db2.gz LTQQTLQCUVASDG-HUUCEWRRSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360984941 393629695 /nfs/dbraw/zinc/62/96/95/393629695.db2.gz SRGNOKWCMHXCNS-FVQBIDKESA-N 2 1 278.465 3.286 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccnn1-c1ccccc1 ZINC000423188964 393653845 /nfs/dbraw/zinc/65/38/45/393653845.db2.gz ZZBVFQFJLUDYFN-HNNXBMFYSA-N 2 1 298.434 3.185 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccsc1 ZINC000423268891 393657513 /nfs/dbraw/zinc/65/75/13/393657513.db2.gz VGYJYOKDIOFBQJ-FZMZJTMJSA-N 2 1 252.427 3.306 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423298049 393660570 /nfs/dbraw/zinc/66/05/70/393660570.db2.gz MWPYBZRLQPEVIM-OFQRWUPVSA-N 2 1 278.440 3.294 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423469339 393669433 /nfs/dbraw/zinc/66/94/33/393669433.db2.gz OUJZNCKNFSHDSV-NRUUGDAUSA-N 2 1 297.240 3.324 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nccc2ccccc21 ZINC000423518524 393671165 /nfs/dbraw/zinc/67/11/65/393671165.db2.gz ZIWDNCWMLCWTBL-GUYCJALGSA-N 2 1 283.419 3.403 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CC2 ZINC000423500106 393671569 /nfs/dbraw/zinc/67/15/69/393671569.db2.gz CTCFFJWYJSOSMB-SJORKVTESA-N 2 1 258.409 3.089 20 0 CGADMP Cc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c(C)c[nH+]c12 ZINC000443428435 393756428 /nfs/dbraw/zinc/75/64/28/393756428.db2.gz ONWJDWYEDVAEHZ-HOTGVXAUSA-N 2 1 295.430 3.312 20 0 CGADMP Cc1c[nH+]ccc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425273920 393690607 /nfs/dbraw/zinc/69/06/07/393690607.db2.gz KLCDQQISITUXAZ-PKOBYXMFSA-N 2 1 293.414 3.101 20 0 CGADMP CCCCC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435723683 393715228 /nfs/dbraw/zinc/71/52/28/393715228.db2.gz PTPADPCRXADIMI-CQSZACIVSA-N 2 1 281.469 3.053 20 0 CGADMP CC1CC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436278520 393716882 /nfs/dbraw/zinc/71/68/82/393716882.db2.gz ANUCWEVLICABLS-ZBCRRDGASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499163034 393793692 /nfs/dbraw/zinc/79/36/92/393793692.db2.gz DJKRXGKDPZMMHR-SJQORLFUSA-N 2 1 284.447 3.428 20 0 CGADMP Cc1ccccc1[C@@]1(F)CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502919174 393888034 /nfs/dbraw/zinc/88/80/34/393888034.db2.gz LSWBEKSDWURMFP-SJLPKXTDSA-N 2 1 290.426 3.350 20 0 CGADMP CCCC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560452 393903705 /nfs/dbraw/zinc/90/37/05/393903705.db2.gz LIOFWKINIQNFDD-YZDRTPDPSA-N 2 1 252.446 3.416 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000450562079 394019051 /nfs/dbraw/zinc/01/90/51/394019051.db2.gz HKVPDNRMKICPOM-MJBXVCDLSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000450562079 394019054 /nfs/dbraw/zinc/01/90/54/394019054.db2.gz HKVPDNRMKICPOM-MJBXVCDLSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000450562079 394019056 /nfs/dbraw/zinc/01/90/56/394019056.db2.gz HKVPDNRMKICPOM-MJBXVCDLSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453100618 394170791 /nfs/dbraw/zinc/17/07/91/394170791.db2.gz XWAZLQCDBFICCZ-CVEARBPZSA-N 2 1 277.456 3.113 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453100618 394170796 /nfs/dbraw/zinc/17/07/96/394170796.db2.gz XWAZLQCDBFICCZ-CVEARBPZSA-N 2 1 277.456 3.113 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000453102925 394171390 /nfs/dbraw/zinc/17/13/90/394171390.db2.gz QYABTNZKJXKKMI-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000453102925 394171393 /nfs/dbraw/zinc/17/13/93/394171393.db2.gz QYABTNZKJXKKMI-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453389352 394228086 /nfs/dbraw/zinc/22/80/86/394228086.db2.gz CEQRSEANTMUECQ-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1(C)C ZINC000453406966 394235669 /nfs/dbraw/zinc/23/56/69/394235669.db2.gz RQILQVGDDPSPHJ-HZPDHXFCSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453408749 394237747 /nfs/dbraw/zinc/23/77/47/394237747.db2.gz SWXIZNZAAYSZFK-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453411657 394238113 /nfs/dbraw/zinc/23/81/13/394238113.db2.gz VVZUJGAWJAWQPM-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000453415182 394240159 /nfs/dbraw/zinc/24/01/59/394240159.db2.gz XEYDOCDHWIWLKU-LBPRGKRZSA-N 2 1 282.378 3.490 20 0 CGADMP Cc1ncc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)n1C ZINC000667499857 542878779 /nfs/dbraw/zinc/87/87/79/542878779.db2.gz WPMYQXQMFVJHII-CYBMUJFWSA-N 2 1 257.381 3.230 20 0 CGADMP Cc1ncc(CN(C)[C@H](C)c2ccc(C)cc2)n1C ZINC000667499857 542878782 /nfs/dbraw/zinc/87/87/82/542878782.db2.gz WPMYQXQMFVJHII-CYBMUJFWSA-N 2 1 257.381 3.230 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667503575 542880668 /nfs/dbraw/zinc/88/06/68/542880668.db2.gz PUTKVNWBUJUYHX-KRWDZBQOSA-N 2 1 281.403 3.475 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667658281 542908422 /nfs/dbraw/zinc/90/84/22/542908422.db2.gz CEXPZMFLGQEBRW-DZGCQCFKSA-N 2 1 261.413 3.230 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000667667872 542912194 /nfs/dbraw/zinc/91/21/94/542912194.db2.gz YFPBALDXWVPTJK-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000667667872 542912196 /nfs/dbraw/zinc/91/21/96/542912196.db2.gz YFPBALDXWVPTJK-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000667667872 542912197 /nfs/dbraw/zinc/91/21/97/542912197.db2.gz YFPBALDXWVPTJK-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000667667872 542912199 /nfs/dbraw/zinc/91/21/99/542912199.db2.gz YFPBALDXWVPTJK-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC(C)(C)C1 ZINC000667969422 542951599 /nfs/dbraw/zinc/95/15/99/542951599.db2.gz KKPYOBSCBWNYJF-AWEZNQCLSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC(C)(C)C1 ZINC000667969422 542951601 /nfs/dbraw/zinc/95/16/01/542951601.db2.gz KKPYOBSCBWNYJF-AWEZNQCLSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884483 289027432 /nfs/dbraw/zinc/02/74/32/289027432.db2.gz LOHJHJLCJZFMRE-CAOSSQGBSA-N 2 1 264.457 3.275 20 0 CGADMP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]2CCC[C@@H]21 ZINC000668196584 542986862 /nfs/dbraw/zinc/98/68/62/542986862.db2.gz PYYHVNPIFIAIAX-IRXDYDNUSA-N 2 1 296.418 3.278 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]2CCC[C@@H]21 ZINC000668196584 542986866 /nfs/dbraw/zinc/98/68/66/542986866.db2.gz PYYHVNPIFIAIAX-IRXDYDNUSA-N 2 1 296.418 3.278 20 0 CGADMP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC(C)(C)C1 ZINC000668240215 542996593 /nfs/dbraw/zinc/99/65/93/542996593.db2.gz ACIYXKDQRFMJPG-UHFFFAOYSA-N 2 1 284.407 3.278 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@H]2CC2CCCC2)n1C ZINC000668298663 543003132 /nfs/dbraw/zinc/00/31/32/543003132.db2.gz GOADUDMFALUGHD-HNNXBMFYSA-N 2 1 261.413 3.273 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C(C)(C)C ZINC000670265171 543148045 /nfs/dbraw/zinc/14/80/45/543148045.db2.gz VMOIYDWSDLTOPL-GOEBONIOSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C(C)(C)C ZINC000670265171 543148046 /nfs/dbraw/zinc/14/80/46/543148046.db2.gz VMOIYDWSDLTOPL-GOEBONIOSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C(C)(C)C ZINC000670265171 543148048 /nfs/dbraw/zinc/14/80/48/543148048.db2.gz VMOIYDWSDLTOPL-GOEBONIOSA-N 2 1 266.473 3.332 20 0 CGADMP CCC1CC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000551778762 289130863 /nfs/dbraw/zinc/13/08/63/289130863.db2.gz IKFJSQQHTHLZPG-CIDNJEQPSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916391 397609731 /nfs/dbraw/zinc/60/97/31/397609731.db2.gz METOQNMLEDZENG-KGLIPLIRSA-N 2 1 264.438 3.021 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000301679392 397675354 /nfs/dbraw/zinc/67/53/54/397675354.db2.gz OPGVLVAVLUWFCT-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C/c1ccc(F)cc1F)C2 ZINC000650709116 397898383 /nfs/dbraw/zinc/89/83/83/397898383.db2.gz CHEREDORVIOZPX-YICQSFOJSA-N 2 1 292.373 3.039 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C/C=C/c1ccc(F)cc1F)C2 ZINC000650709116 397898385 /nfs/dbraw/zinc/89/83/85/397898385.db2.gz CHEREDORVIOZPX-YICQSFOJSA-N 2 1 292.373 3.039 20 0 CGADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711553 397899212 /nfs/dbraw/zinc/89/92/12/397899212.db2.gz WYRWOPZYOOPRPO-BQUHIEPJSA-N 2 1 288.435 3.158 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752237 397908524 /nfs/dbraw/zinc/90/85/24/397908524.db2.gz MMVUYOZUUFTUTN-LBPRGKRZSA-N 2 1 288.366 3.144 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)o1 ZINC000650752322 397908641 /nfs/dbraw/zinc/90/86/41/397908641.db2.gz ORTOXGMZRWQTAO-LLVKDONJSA-N 2 1 262.328 3.037 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cn1 ZINC000650754939 397909069 /nfs/dbraw/zinc/90/90/69/397909069.db2.gz VFWCYXMMKYZVPF-OAHLLOKOSA-N 2 1 291.345 3.059 20 0 CGADMP CCC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccn1 ZINC000650754606 397909278 /nfs/dbraw/zinc/90/92/78/397909278.db2.gz MKYVMWBTDFEOTK-MRXNPFEDSA-N 2 1 287.382 3.310 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC000675740486 543359141 /nfs/dbraw/zinc/35/91/41/543359141.db2.gz KWHMUQIREAFUIS-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880065 543369220 /nfs/dbraw/zinc/36/92/20/543369220.db2.gz BAMMYSMRUNDJEV-DOTOQJQBSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677235889 543440488 /nfs/dbraw/zinc/44/04/88/543440488.db2.gz JFHDXFFQUROAJO-OALUTQOASA-N 2 1 286.463 3.452 20 0 CGADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)sc2c1CCCC2 ZINC000677237479 543440667 /nfs/dbraw/zinc/44/06/67/543440667.db2.gz JDBIRXQUFDLQJL-LSDHHAIUSA-N 2 1 290.476 3.343 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677131268 543435356 /nfs/dbraw/zinc/43/53/56/543435356.db2.gz XZJCCHKCMFPDCD-INIZCTEOSA-N 2 1 291.345 3.137 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000677818858 543468203 /nfs/dbraw/zinc/46/82/03/543468203.db2.gz JWMFZTRAPUZEIF-QGZVFWFLSA-N 2 1 285.391 3.124 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000677818858 543468205 /nfs/dbraw/zinc/46/82/05/543468205.db2.gz JWMFZTRAPUZEIF-QGZVFWFLSA-N 2 1 285.391 3.124 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](C1CC1)C1CCCCC1 ZINC000678073545 543480767 /nfs/dbraw/zinc/48/07/67/543480767.db2.gz YFDWDQNOAXNTAM-AWEZNQCLSA-N 2 1 250.430 3.268 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](C1CC1)C1CCCCC1 ZINC000678073545 543480769 /nfs/dbraw/zinc/48/07/69/543480769.db2.gz YFDWDQNOAXNTAM-AWEZNQCLSA-N 2 1 250.430 3.268 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C/C=C\c2ccccc2)CC1 ZINC000678219492 543494759 /nfs/dbraw/zinc/49/47/59/543494759.db2.gz SUCJPSDLOXIURG-UITAMQMPSA-N 2 1 270.420 3.260 20 0 CGADMP C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678271098 543506346 /nfs/dbraw/zinc/50/63/46/543506346.db2.gz NIVDKZONNVRNNV-HZPDHXFCSA-N 2 1 290.451 3.247 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000122518811 286049357 /nfs/dbraw/zinc/04/93/57/286049357.db2.gz MJIOXZXGAVWEAO-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)[C@@H](C)C1 ZINC000358084731 286058583 /nfs/dbraw/zinc/05/85/83/286058583.db2.gz MIVHFENRJHUXIJ-JYSRZZCRSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000678766265 543554092 /nfs/dbraw/zinc/55/40/92/543554092.db2.gz NKRSWEAAGGKLRU-SPYBWZPUSA-N 2 1 284.447 3.384 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000678768255 543555318 /nfs/dbraw/zinc/55/53/18/543555318.db2.gz JVNYGWOZFDCAOA-SUMWQHHRSA-N 2 1 269.392 3.105 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000678771888 543555501 /nfs/dbraw/zinc/55/55/01/543555501.db2.gz RMPPWQQIVCBMRW-IIDMSEBBSA-N 2 1 272.436 3.241 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000678895084 543569694 /nfs/dbraw/zinc/56/96/94/543569694.db2.gz LMUXVHFXFGUQSK-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3([NH+](C)C)CCCCC3)C[C@H]2C1 ZINC000424253408 286113102 /nfs/dbraw/zinc/11/31/02/286113102.db2.gz FKGRPAAULBUDRP-WNKDZCFJSA-N 2 1 294.483 3.044 20 0 CGADMP CCOC[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000474484859 286179919 /nfs/dbraw/zinc/17/99/19/286179919.db2.gz MYPGOLZGJOITDL-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C2CCC2)o1 ZINC000423324902 292260110 /nfs/dbraw/zinc/26/01/10/292260110.db2.gz BMDQWHNWHYDHEN-SJORKVTESA-N 2 1 276.424 3.409 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449094632 533677814 /nfs/dbraw/zinc/67/78/14/533677814.db2.gz SQDWKTYXLKSTQN-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449094632 533677818 /nfs/dbraw/zinc/67/78/18/533677818.db2.gz SQDWKTYXLKSTQN-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000435748705 287038068 /nfs/dbraw/zinc/03/80/68/287038068.db2.gz PNNOYVCDQYHUJX-CZUORRHYSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1F)C1C[NH2+]C1 ZINC000422779773 287065030 /nfs/dbraw/zinc/06/50/30/287065030.db2.gz IVOJTBORHFNFDI-AUUYWEPGSA-N 2 1 298.405 3.307 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1F ZINC000070163077 165060254 /nfs/dbraw/zinc/06/02/54/165060254.db2.gz MJRKZBMPYHFACH-UHFFFAOYSA-N 2 1 264.388 3.097 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000076002674 165106260 /nfs/dbraw/zinc/10/62/60/165106260.db2.gz XHDNWWAYROOOMZ-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000076002674 165106261 /nfs/dbraw/zinc/10/62/61/165106261.db2.gz XHDNWWAYROOOMZ-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000076004407 165107765 /nfs/dbraw/zinc/10/77/65/165107765.db2.gz UFHMTHJRPICYBG-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP Cc1nc(C)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000080692928 165157606 /nfs/dbraw/zinc/15/76/06/165157606.db2.gz WLJYIUSGUDHMBO-GFCCVEGCSA-N 2 1 281.469 3.114 20 0 CGADMP Cc1nc(C)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000080692928 165157608 /nfs/dbraw/zinc/15/76/08/165157608.db2.gz WLJYIUSGUDHMBO-GFCCVEGCSA-N 2 1 281.469 3.114 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557751 165166095 /nfs/dbraw/zinc/16/60/95/165166095.db2.gz YEIBIFAHOFJZOO-KRWDZBQOSA-N 2 1 281.403 3.467 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000090581207 165239820 /nfs/dbraw/zinc/23/98/20/165239820.db2.gz XLFDGKISEKVDKI-AEFFLSMTSA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccnc2)c1 ZINC000092746237 165310756 /nfs/dbraw/zinc/31/07/56/165310756.db2.gz RLANBYGSARVKKN-OAHLLOKOSA-N 2 1 283.419 3.384 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094522146 165351742 /nfs/dbraw/zinc/35/17/42/165351742.db2.gz CDYIQCGECJNYSO-KRWDZBQOSA-N 2 1 258.409 3.267 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC000093742234 287118921 /nfs/dbraw/zinc/11/89/21/287118921.db2.gz ZHMRQUYPGNSSIT-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000093742234 287118922 /nfs/dbraw/zinc/11/89/22/287118922.db2.gz ZHMRQUYPGNSSIT-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000093742234 287118924 /nfs/dbraw/zinc/11/89/24/287118924.db2.gz ZHMRQUYPGNSSIT-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccoc1 ZINC000094867663 287122920 /nfs/dbraw/zinc/12/29/20/287122920.db2.gz UTMPIYWUDFWQPC-LLVKDONJSA-N 2 1 250.386 3.239 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1cccc(Cl)c1 ZINC000262016334 165846887 /nfs/dbraw/zinc/84/68/87/165846887.db2.gz VSXGYHBEDNKXFT-AGIUHOORSA-N 2 1 266.816 3.113 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC000120913555 287189661 /nfs/dbraw/zinc/18/96/61/287189661.db2.gz NHVBSUPUTNOZIL-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000124616779 287235311 /nfs/dbraw/zinc/23/53/11/287235311.db2.gz LYZOVEABRQQYEC-RHSMWYFYSA-N 2 1 260.425 3.197 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000124636900 287235706 /nfs/dbraw/zinc/23/57/06/287235706.db2.gz HFXJKVXJHVQNBF-LJQANCHMSA-N 2 1 286.463 3.425 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CCC[NH2+]C ZINC000124738687 287236579 /nfs/dbraw/zinc/23/65/79/287236579.db2.gz PKKSHIIDVLRZCW-CQSZACIVSA-N 2 1 299.256 3.442 20 0 CGADMP CC[C@@H](COC)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125181656 287240809 /nfs/dbraw/zinc/24/08/09/287240809.db2.gz PVKZSMSWACSYHU-RDJZCZTQSA-N 2 1 290.451 3.227 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000020124168 171006333 /nfs/dbraw/zinc/00/63/33/171006333.db2.gz DORYKJLHENGSNO-LLVKDONJSA-N 2 1 252.789 3.085 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccn1 ZINC000020143251 171029350 /nfs/dbraw/zinc/02/93/50/171029350.db2.gz WISIRAROOQQQPM-GFCCVEGCSA-N 2 1 261.413 3.041 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000285416745 196278663 /nfs/dbraw/zinc/27/86/63/196278663.db2.gz JJBKWCIVALQILI-YRLOJYSSSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000285416745 196278664 /nfs/dbraw/zinc/27/86/64/196278664.db2.gz JJBKWCIVALQILI-YRLOJYSSSA-N 2 1 292.373 3.194 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCCCO2)C1 ZINC000246278512 287275491 /nfs/dbraw/zinc/27/54/91/287275491.db2.gz BRUPAXGHBVZOGF-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000246278512 287275492 /nfs/dbraw/zinc/27/54/92/287275492.db2.gz BRUPAXGHBVZOGF-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000246278512 287275493 /nfs/dbraw/zinc/27/54/93/287275493.db2.gz BRUPAXGHBVZOGF-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000037318614 173118881 /nfs/dbraw/zinc/11/88/81/173118881.db2.gz KESBCSGCZKETHE-AWEZNQCLSA-N 2 1 258.409 3.272 20 0 CGADMP c1ccc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000037408307 173184279 /nfs/dbraw/zinc/18/42/79/173184279.db2.gz STGPKORKWVJVCX-MRXNPFEDSA-N 2 1 280.415 3.414 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408276 173184945 /nfs/dbraw/zinc/18/49/45/173184945.db2.gz DOCSCFQRZRDFBC-ZDUSSCGKSA-N 2 1 298.352 3.279 20 0 CGADMP CCC[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000037539252 173259684 /nfs/dbraw/zinc/25/96/84/173259684.db2.gz GUCDRMNAOOQMSJ-UHFFFAOYSA-N 2 1 266.816 3.304 20 0 CGADMP CCC[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000037539252 173259685 /nfs/dbraw/zinc/25/96/85/173259685.db2.gz GUCDRMNAOOQMSJ-UHFFFAOYSA-N 2 1 266.816 3.304 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000127080770 287279641 /nfs/dbraw/zinc/27/96/41/287279641.db2.gz YSURKWOKQPXWJK-ODIFPOPNSA-N 2 1 260.425 3.253 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000040640578 174364491 /nfs/dbraw/zinc/36/44/91/174364491.db2.gz JDKCBOJQQBWKMJ-INIZCTEOSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128426008 287310828 /nfs/dbraw/zinc/31/08/28/287310828.db2.gz LLORYGQGCMBUKT-UHFFFAOYSA-N 2 1 297.531 3.064 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000071142059 176039972 /nfs/dbraw/zinc/03/99/72/176039972.db2.gz AJLLBAHEKNRLOJ-OAHLLOKOSA-N 2 1 260.425 3.025 20 0 CGADMP Cc1cccc(C[N@@H+](C)CCCC2CC[NH2+]CC2)c1 ZINC000050953026 416479237 /nfs/dbraw/zinc/47/92/37/416479237.db2.gz YXVWKAKMWKNKPC-UHFFFAOYSA-N 2 1 260.425 3.207 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)[C@H]1CC[NH3+] ZINC000404382764 416554897 /nfs/dbraw/zinc/55/48/97/416554897.db2.gz NDUBHOUNGPXMAT-VYDXJSESSA-N 2 1 288.435 3.002 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC[C@@H]1[NH3+] ZINC000122400690 416504528 /nfs/dbraw/zinc/50/45/28/416504528.db2.gz DLBLWDMVISAEDZ-YOEHRIQHSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@]1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000679043453 543586303 /nfs/dbraw/zinc/58/63/03/543586303.db2.gz IJOZBKJDTXZRNZ-AOIWGVFYSA-N 2 1 284.447 3.455 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129641658 287336809 /nfs/dbraw/zinc/33/68/09/287336809.db2.gz WOPXYSSDSQMJMQ-RWMBFGLXSA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129641658 287336811 /nfs/dbraw/zinc/33/68/11/287336811.db2.gz WOPXYSSDSQMJMQ-RWMBFGLXSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000131542148 287383294 /nfs/dbraw/zinc/38/32/94/287383294.db2.gz WVSVKUSZQPGDBT-NEPJUHHUSA-N 2 1 266.454 3.357 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000131542148 287383295 /nfs/dbraw/zinc/38/32/95/287383295.db2.gz WVSVKUSZQPGDBT-NEPJUHHUSA-N 2 1 266.454 3.357 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414710903 287380605 /nfs/dbraw/zinc/38/06/05/287380605.db2.gz SVPHOYZYVIAYOG-UMVBOHGHSA-N 2 1 278.465 3.445 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000131806595 287390086 /nfs/dbraw/zinc/39/00/86/287390086.db2.gz KJGVKGZVOJNILV-NRKLIOEPSA-N 2 1 296.499 3.146 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459796693 287398152 /nfs/dbraw/zinc/39/81/52/287398152.db2.gz WFWAQYONKSUQKM-BZUAXINKSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]c3c(O)cccc23)C1 ZINC000684574741 544014737 /nfs/dbraw/zinc/01/47/37/544014737.db2.gz AVFTUHGSJGWVON-AWEZNQCLSA-N 2 1 299.418 3.330 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)C1)CC(C)C ZINC000684367236 543986680 /nfs/dbraw/zinc/98/66/80/543986680.db2.gz LWFDXFJOMKUJBR-IXDOHACOSA-N 2 1 284.488 3.290 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000684379016 543988911 /nfs/dbraw/zinc/98/89/11/543988911.db2.gz UFWCARRGEQMRGR-ZACQAIPSSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000684379016 543988915 /nfs/dbraw/zinc/98/89/15/543988915.db2.gz UFWCARRGEQMRGR-ZACQAIPSSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccccc2F)C1 ZINC000685455186 544073431 /nfs/dbraw/zinc/07/34/31/544073431.db2.gz CQRVSIDFWPSTBX-HOTGVXAUSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685470686 544076617 /nfs/dbraw/zinc/07/66/17/544076617.db2.gz IAGQAKJQWMLTSR-VQHPVUNQSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000685470686 544076620 /nfs/dbraw/zinc/07/66/20/544076620.db2.gz IAGQAKJQWMLTSR-VQHPVUNQSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470686 544076623 /nfs/dbraw/zinc/07/66/23/544076623.db2.gz IAGQAKJQWMLTSR-VQHPVUNQSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000685658284 544093266 /nfs/dbraw/zinc/09/32/66/544093266.db2.gz CIORAYBZFYMXFC-UONOGXRCSA-N 2 1 268.470 3.388 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000685658284 544093267 /nfs/dbraw/zinc/09/32/67/544093267.db2.gz CIORAYBZFYMXFC-UONOGXRCSA-N 2 1 268.470 3.388 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000685849350 544102355 /nfs/dbraw/zinc/10/23/55/544102355.db2.gz DQAHHDPQABLVJI-JYJNAYRXSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000685849350 544102358 /nfs/dbraw/zinc/10/23/58/544102358.db2.gz DQAHHDPQABLVJI-JYJNAYRXSA-N 2 1 252.446 3.297 20 0 CGADMP CC[C@@H]([NH2+]CCO[C@@H](CC)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000650742007 418936281 /nfs/dbraw/zinc/93/62/81/418936281.db2.gz PLWZLFSICYYDNW-SQNIBIBYSA-N 2 1 290.451 3.275 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000652222283 418936565 /nfs/dbraw/zinc/93/65/65/418936565.db2.gz JNEJMDBXYUZFHY-QGZVFWFLSA-N 2 1 277.456 3.346 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC23CCC3)([NH+](C)C)C1 ZINC000337404884 287501405 /nfs/dbraw/zinc/50/14/05/287501405.db2.gz RPZAIBPPEHAYGW-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000652348369 418956255 /nfs/dbraw/zinc/95/62/55/418956255.db2.gz BEYBERDPSJEBLJ-RCCFBDPRSA-N 2 1 294.483 3.175 20 0 CGADMP C(C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000652344279 418956604 /nfs/dbraw/zinc/95/66/04/418956604.db2.gz DPSRYGITSJIYSV-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000652338335 418956626 /nfs/dbraw/zinc/95/66/26/418956626.db2.gz VOLJXDLVGHTVSC-IBGZPJMESA-N 2 1 296.389 3.418 20 0 CGADMP Fc1cccc([C@@H]2CC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000652338335 418956629 /nfs/dbraw/zinc/95/66/29/418956629.db2.gz VOLJXDLVGHTVSC-IBGZPJMESA-N 2 1 296.389 3.418 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363622 418958146 /nfs/dbraw/zinc/95/81/46/418958146.db2.gz JIESXEYJBMJLBT-BZUAXINKSA-N 2 1 282.472 3.174 20 0 CGADMP c1cc2c(cc[nH+]c2NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000664679938 418993110 /nfs/dbraw/zinc/99/31/10/418993110.db2.gz ZBPUFGGMZODATG-CQSZACIVSA-N 2 1 284.407 3.097 20 0 CGADMP [NH3+]CC1CCC([NH2+]CC(F)(F)c2cccc(F)c2)CC1 ZINC000665238213 419089054 /nfs/dbraw/zinc/08/90/54/419089054.db2.gz UBQGROANXLFULN-UHFFFAOYSA-N 2 1 286.341 3.025 20 0 CGADMP CC1(C)CCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771172 419093784 /nfs/dbraw/zinc/09/37/84/419093784.db2.gz BZEDZLKDHLBSHR-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1C[C@H]1C ZINC000665253013 419094493 /nfs/dbraw/zinc/09/44/93/419094493.db2.gz CYYSWAFRUPYVPG-VVFHAYQLSA-N 2 1 294.389 3.044 20 0 CGADMP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc21 ZINC000665266811 419096124 /nfs/dbraw/zinc/09/61/24/419096124.db2.gz KGFGBBBXFZXIEV-GDIGMMSISA-N 2 1 299.462 3.128 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c2ccccc12 ZINC000665277204 419099167 /nfs/dbraw/zinc/09/91/67/419099167.db2.gz WOCLMXUWYZPKLF-CDJWAVJASA-N 2 1 296.414 3.251 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000665297482 419110881 /nfs/dbraw/zinc/11/08/81/419110881.db2.gz GYXVWBLHZJYRDK-QJPTWQEYSA-N 2 1 254.805 3.030 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983484 419052322 /nfs/dbraw/zinc/05/23/22/419052322.db2.gz NOFGZDYQFIRYLX-BPQIPLTHSA-N 2 1 296.499 3.386 20 0 CGADMP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653571024 419052315 /nfs/dbraw/zinc/05/23/15/419052315.db2.gz RDTONSJTHFNGDS-GDBMZVCRSA-N 2 1 263.429 3.253 20 0 CGADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653571024 419052319 /nfs/dbraw/zinc/05/23/19/419052319.db2.gz RDTONSJTHFNGDS-GDBMZVCRSA-N 2 1 263.429 3.253 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983484 419052326 /nfs/dbraw/zinc/05/23/26/419052326.db2.gz NOFGZDYQFIRYLX-BPQIPLTHSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983484 419052332 /nfs/dbraw/zinc/05/23/32/419052332.db2.gz NOFGZDYQFIRYLX-BPQIPLTHSA-N 2 1 296.499 3.386 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000653605397 419058194 /nfs/dbraw/zinc/05/81/94/419058194.db2.gz VKCRBYRVXWHBGF-GOSISDBHSA-N 2 1 283.419 3.484 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655684312 419065528 /nfs/dbraw/zinc/06/55/28/419065528.db2.gz NRXQEVOBXBHFFS-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000655724524 419079053 /nfs/dbraw/zinc/07/90/53/419079053.db2.gz ZEGFZLBFUNZBTR-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]ccc3cc(F)ccc32)C1 ZINC000656211119 419150442 /nfs/dbraw/zinc/15/04/42/419150442.db2.gz OWJYMPFFKLYOJO-VDISTLRHSA-N 2 1 273.355 3.126 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000660659812 419175978 /nfs/dbraw/zinc/17/59/78/419175978.db2.gz ROCPVQKNSPCIOJ-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000660659812 419175982 /nfs/dbraw/zinc/17/59/82/419175982.db2.gz ROCPVQKNSPCIOJ-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000660659812 419175984 /nfs/dbraw/zinc/17/59/84/419175984.db2.gz ROCPVQKNSPCIOJ-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000660659812 419175986 /nfs/dbraw/zinc/17/59/86/419175986.db2.gz ROCPVQKNSPCIOJ-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C1CC1)C2 ZINC000660662400 419179401 /nfs/dbraw/zinc/17/94/01/419179401.db2.gz JRURXFYFTXWSTK-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C1CC1)C2 ZINC000660662400 419179404 /nfs/dbraw/zinc/17/94/04/419179404.db2.gz JRURXFYFTXWSTK-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C1CC1)C2 ZINC000660662400 419179407 /nfs/dbraw/zinc/17/94/07/419179407.db2.gz JRURXFYFTXWSTK-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3cccnc31)C2 ZINC000660661134 419179445 /nfs/dbraw/zinc/17/94/45/419179445.db2.gz YVSPGUUYSZIUBV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3cccnc31)C2 ZINC000660661134 419179448 /nfs/dbraw/zinc/17/94/48/419179448.db2.gz YVSPGUUYSZIUBV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC000660661134 419179450 /nfs/dbraw/zinc/17/94/50/419179450.db2.gz YVSPGUUYSZIUBV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP CC(C)(C)OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674495 419180729 /nfs/dbraw/zinc/18/07/29/419180729.db2.gz DDQXPVJZGDSISD-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP CC[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)CC(F)F ZINC000660763925 419192820 /nfs/dbraw/zinc/19/28/20/419192820.db2.gz XTLVFVZZKRJYSP-GFCCVEGCSA-N 2 1 262.388 3.132 20 0 CGADMP Cc1ccc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)[nH]c2c1 ZINC000657294687 419244787 /nfs/dbraw/zinc/24/47/87/419244787.db2.gz CXMRRHSYRAMIBR-UHFFFAOYSA-N 2 1 283.419 3.193 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657355461 419258833 /nfs/dbraw/zinc/25/88/33/419258833.db2.gz PAODXUNRSIPQND-ODIFPOPNSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C3CCC3)CC2)CC[N@@H+]1C ZINC000657375302 419263563 /nfs/dbraw/zinc/26/35/63/419263563.db2.gz GJNPCQZPKBTOTD-LHUBUQBQSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C3CCC3)CC2)CC[N@H+]1C ZINC000657375302 419263565 /nfs/dbraw/zinc/26/35/65/419263565.db2.gz GJNPCQZPKBTOTD-LHUBUQBQSA-N 2 1 264.457 3.418 20 0 CGADMP C(C[NH+]1C[C@@H]2CCCC[C@@H]21)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933726 419216290 /nfs/dbraw/zinc/21/62/90/419216290.db2.gz XBFNAZKEQKQUFP-QAETUUGQSA-N 2 1 262.441 3.125 20 0 CGADMP Fc1cccc(F)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784739 419218368 /nfs/dbraw/zinc/21/83/68/419218368.db2.gz GRTDWDNFHQBXJV-CQSZACIVSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784387 419218418 /nfs/dbraw/zinc/21/84/18/419218418.db2.gz CXQINVBLIABKJM-SFHVURJKSA-N 2 1 272.436 3.207 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784517 419218688 /nfs/dbraw/zinc/21/86/88/419218688.db2.gz DQAWSTZSTLNCGI-GOSISDBHSA-N 2 1 272.436 3.207 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656786765 419220147 /nfs/dbraw/zinc/22/01/47/419220147.db2.gz QFMUUKYFMSYMQX-OAHLLOKOSA-N 2 1 258.409 3.125 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000656791703 419220721 /nfs/dbraw/zinc/22/07/21/419220721.db2.gz JEIPVYIBLATLKV-MRXNPFEDSA-N 2 1 264.388 3.037 20 0 CGADMP CCC[N@@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000656791703 419220723 /nfs/dbraw/zinc/22/07/23/419220723.db2.gz JEIPVYIBLATLKV-MRXNPFEDSA-N 2 1 264.388 3.037 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661578686 419274548 /nfs/dbraw/zinc/27/45/48/419274548.db2.gz RQWKSCKAHUMQEN-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661578686 419274550 /nfs/dbraw/zinc/27/45/50/419274550.db2.gz RQWKSCKAHUMQEN-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@H]1CNCc1ccccc1OC(F)F ZINC000657523840 419297527 /nfs/dbraw/zinc/29/75/27/419297527.db2.gz LEWUEOBCDWHBBB-ZDUSSCGKSA-N 2 1 298.377 3.250 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@H]1CNCc1ccccc1OC(F)F ZINC000657523840 419297530 /nfs/dbraw/zinc/29/75/30/419297530.db2.gz LEWUEOBCDWHBBB-ZDUSSCGKSA-N 2 1 298.377 3.250 20 0 CGADMP C[C@H]1CC[C@@](C)(C[NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000657588824 419310403 /nfs/dbraw/zinc/31/04/03/419310403.db2.gz BGFPJSFVSOSDGC-BBRMVZONSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000657677460 419326363 /nfs/dbraw/zinc/32/63/63/419326363.db2.gz DIPKUAAXYMCWHS-BQFCYCMXSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000657677460 419326365 /nfs/dbraw/zinc/32/63/65/419326365.db2.gz DIPKUAAXYMCWHS-BQFCYCMXSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000662001480 419322444 /nfs/dbraw/zinc/32/24/44/419322444.db2.gz NXQGGRWJWGDQMU-GRTSSRMGSA-N 2 1 267.392 3.088 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCc2ccccc21 ZINC000662323833 419393209 /nfs/dbraw/zinc/39/32/09/419393209.db2.gz RXNHMXZHHFLABT-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2cc3cnccc3o2)C1 ZINC000657864412 419394326 /nfs/dbraw/zinc/39/43/26/419394326.db2.gz ZZZPOKYEOLKYCD-UONOGXRCSA-N 2 1 287.407 3.210 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000657864412 419394336 /nfs/dbraw/zinc/39/43/36/419394336.db2.gz ZZZPOKYEOLKYCD-UONOGXRCSA-N 2 1 287.407 3.210 20 0 CGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000662216721 419362899 /nfs/dbraw/zinc/36/28/99/419362899.db2.gz NGIJVBVQUUUVLL-KRWDZBQOSA-N 2 1 272.436 3.440 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC000662274876 419381839 /nfs/dbraw/zinc/38/18/39/419381839.db2.gz YCKZWRLYDVNMCK-OQIJWPOYSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC000662274876 419381842 /nfs/dbraw/zinc/38/18/42/419381842.db2.gz YCKZWRLYDVNMCK-OQIJWPOYSA-N 2 1 284.447 3.254 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657840825 419384061 /nfs/dbraw/zinc/38/40/61/419384061.db2.gz KUPSSDLYYIIZHH-NWDGAFQWSA-N 2 1 283.366 3.012 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCSCC2)C1 ZINC000657843772 419384169 /nfs/dbraw/zinc/38/41/69/419384169.db2.gz HJFZOBCNJGFECZ-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCSCC2)C1 ZINC000657843772 419384173 /nfs/dbraw/zinc/38/41/73/419384173.db2.gz HJFZOBCNJGFECZ-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657842728 419384341 /nfs/dbraw/zinc/38/43/41/419384341.db2.gz WYDUJECBQFFJFX-OLZOCXBDSA-N 2 1 289.448 3.289 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccncc2s1 ZINC000657939221 419455385 /nfs/dbraw/zinc/45/53/85/419455385.db2.gz VWQNRYPJKQZIHC-GFCCVEGCSA-N 2 1 287.432 3.209 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658089580 419561199 /nfs/dbraw/zinc/56/11/99/419561199.db2.gz ZVYFLEOGGFDHKQ-JJRVBVJISA-N 2 1 278.415 3.137 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658089580 419561203 /nfs/dbraw/zinc/56/12/03/419561203.db2.gz ZVYFLEOGGFDHKQ-JJRVBVJISA-N 2 1 278.415 3.137 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2cnccc2o1 ZINC000658030567 419508212 /nfs/dbraw/zinc/50/82/12/419508212.db2.gz FJTPOWWLCRHOKX-ZDUSSCGKSA-N 2 1 287.407 3.353 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000663501042 419634828 /nfs/dbraw/zinc/63/48/28/419634828.db2.gz YRPLPQJKPVBRAO-CYBMUJFWSA-N 2 1 275.223 3.456 20 0 CGADMP Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345977 419570485 /nfs/dbraw/zinc/57/04/85/419570485.db2.gz DXJIXIAKBVBYHC-GOSISDBHSA-N 2 1 272.436 3.207 20 0 CGADMP c1cc2c(cc[nH+]c2NCC[N@H+]2CCc3sccc3C2)[nH]1 ZINC000663416704 419598850 /nfs/dbraw/zinc/59/88/50/419598850.db2.gz PIAIRLQQPADHEX-UHFFFAOYSA-N 2 1 298.415 3.095 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCSCC1 ZINC000663464677 419616403 /nfs/dbraw/zinc/61/64/03/419616403.db2.gz FYKLFNCLQSBQTM-GDBMZVCRSA-N 2 1 296.524 3.230 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC000663466007 419617113 /nfs/dbraw/zinc/61/71/13/419617113.db2.gz MZHGCGHRPNMXDU-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467737 419619582 /nfs/dbraw/zinc/61/95/82/419619582.db2.gz HQCKVIUNGGHQLG-WBVHZDCISA-N 2 1 290.451 3.312 20 0 CGADMP CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468486 419620146 /nfs/dbraw/zinc/62/01/46/419620146.db2.gz LKRPYWWGXADJSQ-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000663466393 419621014 /nfs/dbraw/zinc/62/10/14/419621014.db2.gz SGODTGTTWSXNDY-DOTOQJQBSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C(F)F ZINC000663466514 419622450 /nfs/dbraw/zinc/62/24/50/419622450.db2.gz UYSZLOWZIJDGTG-GXTWGEPZSA-N 2 1 288.426 3.378 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC(F)CC1 ZINC000658288834 419737825 /nfs/dbraw/zinc/73/78/25/419737825.db2.gz FSGHGZSKKKDYNU-HSBZDZAISA-N 2 1 268.420 3.120 20 0 CGADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCCC1 ZINC000089558081 260187729 /nfs/dbraw/zinc/18/77/29/260187729.db2.gz MINKHHJUEXBWJP-JKSUJKDBSA-N 2 1 250.430 3.173 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCCC1 ZINC000089558081 260187730 /nfs/dbraw/zinc/18/77/30/260187730.db2.gz MINKHHJUEXBWJP-JKSUJKDBSA-N 2 1 250.430 3.173 20 0 CGADMP C1=C(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000184574858 263132564 /nfs/dbraw/zinc/13/25/64/263132564.db2.gz AOUNWJNLVUGXDI-DLBZAZTESA-N 2 1 262.441 3.483 20 0 CGADMP C[NH+]1CCC([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000037248638 270029281 /nfs/dbraw/zinc/02/92/81/270029281.db2.gz VKXTZXCGJWQDBV-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000043536056 270034628 /nfs/dbraw/zinc/03/46/28/270034628.db2.gz LTNVPHFHZILXQG-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533856 270035967 /nfs/dbraw/zinc/03/59/67/270035967.db2.gz VCBDPTKIFXLABH-OLZOCXBDSA-N 2 1 298.377 3.280 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044535707 270036713 /nfs/dbraw/zinc/03/67/13/270036713.db2.gz XWBSGYJGYCKGHY-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000045692454 270038846 /nfs/dbraw/zinc/03/88/46/270038846.db2.gz WUGXBHYNVJYPEI-CVEARBPZSA-N 2 1 292.467 3.336 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000184288959 270057791 /nfs/dbraw/zinc/05/77/91/270057791.db2.gz SBSZRALWLCDIHI-HZPDHXFCSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@@H](C)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000192848952 270078128 /nfs/dbraw/zinc/07/81/28/270078128.db2.gz KUPLYBMKRVRHFT-CQSZACIVSA-N 2 1 251.418 3.346 20 0 CGADMP CCC[C@@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000192848952 270078129 /nfs/dbraw/zinc/07/81/29/270078129.db2.gz KUPLYBMKRVRHFT-CQSZACIVSA-N 2 1 251.418 3.346 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000223026052 270086095 /nfs/dbraw/zinc/08/60/95/270086095.db2.gz IBXZSJPUGSLVFJ-HLLBOEOZSA-N 2 1 260.425 3.110 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1(C)C ZINC000223454501 270086407 /nfs/dbraw/zinc/08/64/07/270086407.db2.gz PAUKPINFSHBGQR-LTIDMASMSA-N 2 1 294.483 3.043 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1(C)C ZINC000223454501 270086408 /nfs/dbraw/zinc/08/64/08/270086408.db2.gz PAUKPINFSHBGQR-LTIDMASMSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000251890004 270091477 /nfs/dbraw/zinc/09/14/77/270091477.db2.gz RTKDQNTZIOBRIS-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000519596834 270097820 /nfs/dbraw/zinc/09/78/20/270097820.db2.gz XKOWXMLNAVUAAR-AWEZNQCLSA-N 2 1 264.413 3.271 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000521944712 270103280 /nfs/dbraw/zinc/10/32/80/270103280.db2.gz MQVBFMVGPVLBHZ-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000521944712 270103281 /nfs/dbraw/zinc/10/32/81/270103281.db2.gz MQVBFMVGPVLBHZ-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP CC(C)CCC[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000526113139 270123145 /nfs/dbraw/zinc/12/31/45/270123145.db2.gz MBARTTRPNHEXIZ-INIZCTEOSA-N 2 1 254.462 3.380 20 0 CGADMP c1ccc2c(c1)CCC(C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000527733377 270133097 /nfs/dbraw/zinc/13/30/97/270133097.db2.gz GHKYEINWGXPOTP-VQTJNVASSA-N 2 1 298.474 3.398 20 0 CGADMP C1=CCC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000527750221 270134164 /nfs/dbraw/zinc/13/41/64/270134164.db2.gz IARVRIDNBZJTAT-UHFFFAOYSA-N 2 1 270.420 3.207 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C2CCC2)C2CCC2)CC[N@H+]1C ZINC000527922915 270144617 /nfs/dbraw/zinc/14/46/17/270144617.db2.gz CBANFAFOPUUZMD-CJNGLKHVSA-N 2 1 264.457 3.275 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C(C1CCC1)C1CCC1 ZINC000527929212 270145016 /nfs/dbraw/zinc/14/50/16/270145016.db2.gz LOIDDTBFEKDODG-UHFFFAOYSA-N 2 1 276.468 3.419 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528350986 270161910 /nfs/dbraw/zinc/16/19/10/270161910.db2.gz AZLMOVLGAGTGEM-UHFFFAOYSA-N 2 1 295.858 3.289 20 0 CGADMP C/C(Cl)=C/C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528422239 270165330 /nfs/dbraw/zinc/16/53/30/270165330.db2.gz DCSLHWKVMDBPMQ-VDKWFOBBSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C/C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528422239 270165331 /nfs/dbraw/zinc/16/53/31/270165331.db2.gz DCSLHWKVMDBPMQ-VDKWFOBBSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C/C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528422239 270165332 /nfs/dbraw/zinc/16/53/32/270165332.db2.gz DCSLHWKVMDBPMQ-VDKWFOBBSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C/C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528422239 270165333 /nfs/dbraw/zinc/16/53/33/270165333.db2.gz DCSLHWKVMDBPMQ-VDKWFOBBSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C\C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528441723 270165929 /nfs/dbraw/zinc/16/59/29/270165929.db2.gz QWLIRDKWCISEEL-DXIMFJFMSA-N 2 1 270.848 3.372 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216012 270195892 /nfs/dbraw/zinc/19/58/92/270195892.db2.gz LQDFSKSJTCUOFN-GUYCJALGSA-N 2 1 284.403 3.238 20 0 CGADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1CCC1CC[NH2+]CC1 ZINC000530224494 270196654 /nfs/dbraw/zinc/19/66/54/270196654.db2.gz QQOWXEQHOSRNPI-YIONKMFJSA-N 2 1 284.394 3.028 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000530460260 270200142 /nfs/dbraw/zinc/20/01/42/270200142.db2.gz DLQXABVROQVXQF-LLVKDONJSA-N 2 1 293.411 3.174 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000530666039 270201730 /nfs/dbraw/zinc/20/17/30/270201730.db2.gz RQTTVDHXMFUDOW-XLAORIBOSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000530666039 270201731 /nfs/dbraw/zinc/20/17/31/270201731.db2.gz RQTTVDHXMFUDOW-XLAORIBOSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000530666039 270201732 /nfs/dbraw/zinc/20/17/32/270201732.db2.gz RQTTVDHXMFUDOW-XLAORIBOSA-N 2 1 296.499 3.386 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C ZINC000530666042 270201771 /nfs/dbraw/zinc/20/17/71/270201771.db2.gz RQTTVDHXMFUDOW-ZJPYXAASSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C ZINC000530666042 270201772 /nfs/dbraw/zinc/20/17/72/270201772.db2.gz RQTTVDHXMFUDOW-ZJPYXAASSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C ZINC000530666042 270201773 /nfs/dbraw/zinc/20/17/73/270201773.db2.gz RQTTVDHXMFUDOW-ZJPYXAASSA-N 2 1 296.499 3.386 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000531932286 270211139 /nfs/dbraw/zinc/21/11/39/270211139.db2.gz ZXYVZTPMJXHCHW-CRAIPNDOSA-N 2 1 274.452 3.282 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000531950681 270211459 /nfs/dbraw/zinc/21/14/59/270211459.db2.gz UQKATJOYLCXHJN-KONPQCLYSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000532380379 270215838 /nfs/dbraw/zinc/21/58/38/270215838.db2.gz YGJJLEFHHDKCMF-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000532380379 270215839 /nfs/dbraw/zinc/21/58/39/270215839.db2.gz YGJJLEFHHDKCMF-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000532380379 270215840 /nfs/dbraw/zinc/21/58/40/270215840.db2.gz YGJJLEFHHDKCMF-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423268567 273555140 /nfs/dbraw/zinc/55/51/40/273555140.db2.gz GOIPQBSVFZITSV-CHWSQXEVSA-N 2 1 284.856 3.450 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422827968 274251349 /nfs/dbraw/zinc/25/13/49/274251349.db2.gz AHFYZOZGYMNODQ-KBRIMQKVSA-N 2 1 290.476 3.137 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453239162 274335238 /nfs/dbraw/zinc/33/52/38/274335238.db2.gz SEQNTURVADNJQR-DQYPLSBCSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453239162 274335239 /nfs/dbraw/zinc/33/52/39/274335239.db2.gz SEQNTURVADNJQR-DQYPLSBCSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@]1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCC[NH2+]C1 ZINC000423326429 274451043 /nfs/dbraw/zinc/45/10/43/274451043.db2.gz KMZHUTPNAXKRAN-GOEBONIOSA-N 2 1 294.439 3.342 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262526421 275068999 /nfs/dbraw/zinc/06/89/99/275068999.db2.gz OZGSESPXXRCWTR-HXUWFJFHSA-N 2 1 290.410 3.442 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000488428902 275529548 /nfs/dbraw/zinc/52/95/48/275529548.db2.gz ZSKMEDNCVUNGCE-ZFWWWQNUSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423490753 275561264 /nfs/dbraw/zinc/56/12/64/275561264.db2.gz ZBYLXSIODVOSOE-ZDUSSCGKSA-N 2 1 276.415 3.282 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C[C@H]1C ZINC000414991685 275994779 /nfs/dbraw/zinc/99/47/79/275994779.db2.gz AQQYPEWWHYECIL-KBXIAJHMSA-N 2 1 288.426 3.282 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CS1 ZINC000488369692 276001706 /nfs/dbraw/zinc/00/17/06/276001706.db2.gz PNBZPAPBTMHGBA-GJZGRUSLSA-N 2 1 284.513 3.371 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000353122214 276008894 /nfs/dbraw/zinc/00/88/94/276008894.db2.gz FYLVMQZUIZECSF-BRSBDYLESA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000353122214 276008895 /nfs/dbraw/zinc/00/88/95/276008895.db2.gz FYLVMQZUIZECSF-BRSBDYLESA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000353974827 276008954 /nfs/dbraw/zinc/00/89/54/276008954.db2.gz SPJSMIZEYWMCBY-NWDGAFQWSA-N 2 1 266.351 3.181 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000353974827 276008955 /nfs/dbraw/zinc/00/89/55/276008955.db2.gz SPJSMIZEYWMCBY-NWDGAFQWSA-N 2 1 266.351 3.181 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000365189548 276096209 /nfs/dbraw/zinc/09/62/09/276096209.db2.gz CUIHEPPWDXYLPA-QGZVFWFLSA-N 2 1 276.424 3.261 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000365189548 276096211 /nfs/dbraw/zinc/09/62/11/276096211.db2.gz CUIHEPPWDXYLPA-QGZVFWFLSA-N 2 1 276.424 3.261 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000450753171 276109113 /nfs/dbraw/zinc/10/91/13/276109113.db2.gz HJHAUZYHWMEDIW-AEFFLSMTSA-N 2 1 289.467 3.380 20 0 CGADMP CC1(C)[C@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@H]2CCCO[C@H]21 ZINC000423280493 276163295 /nfs/dbraw/zinc/16/32/95/276163295.db2.gz STGJWEDIZCVOIB-BRWVUGGUSA-N 2 1 294.483 3.092 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@H](C)C1 ZINC000189367371 276217427 /nfs/dbraw/zinc/21/74/27/276217427.db2.gz BPWRIXQIIWJVKN-DJIMGWMZSA-N 2 1 288.435 3.139 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@H](C)C1 ZINC000189367371 276217429 /nfs/dbraw/zinc/21/74/29/276217429.db2.gz BPWRIXQIIWJVKN-DJIMGWMZSA-N 2 1 288.435 3.139 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000250251047 276221889 /nfs/dbraw/zinc/22/18/89/276221889.db2.gz IODIIDLQTLMMKW-OCCSQVGLSA-N 2 1 264.438 3.057 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)[C@@H](C)C1 ZINC000414180494 276229175 /nfs/dbraw/zinc/22/91/75/276229175.db2.gz BHMFNXNUDGJPTN-HJWJTTGWSA-N 2 1 264.457 3.133 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCNc2ccccc21 ZINC000423297952 276242986 /nfs/dbraw/zinc/24/29/86/276242986.db2.gz MNVPFYCSBWXCIV-CJNGLKHVSA-N 2 1 261.413 3.041 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)C2CCCC2)C1 ZINC000449095363 276263578 /nfs/dbraw/zinc/26/35/78/276263578.db2.gz XYEYENKWIPDWTO-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187309 276473602 /nfs/dbraw/zinc/47/36/02/276473602.db2.gz MIYNLGSWUKBYAV-CGTJXYLNSA-N 2 1 289.467 3.366 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000087816188 277031603 /nfs/dbraw/zinc/03/16/03/277031603.db2.gz VHEPJXVGTNJAGR-KRWDZBQOSA-N 2 1 283.419 3.229 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC3=CCCCC3)C2)C1 ZINC000451066640 277086172 /nfs/dbraw/zinc/08/61/72/277086172.db2.gz CSWZLKVUMXFAPC-KRWDZBQOSA-N 2 1 262.441 3.295 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC000451066640 277086174 /nfs/dbraw/zinc/08/61/74/277086174.db2.gz CSWZLKVUMXFAPC-KRWDZBQOSA-N 2 1 262.441 3.295 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC000451066640 277086177 /nfs/dbraw/zinc/08/61/77/277086177.db2.gz CSWZLKVUMXFAPC-KRWDZBQOSA-N 2 1 262.441 3.295 20 0 CGADMP CC(C)(C)C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435749957 277146251 /nfs/dbraw/zinc/14/62/51/277146251.db2.gz VYMIHIDTTZTXBC-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H]2CCC[C@H]21 ZINC000361187037 277173665 /nfs/dbraw/zinc/17/36/65/277173665.db2.gz NSQARIBDZRRAPJ-YESZJQIVSA-N 2 1 285.435 3.245 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H]2CCC[C@H]21 ZINC000361187037 277173666 /nfs/dbraw/zinc/17/36/66/277173666.db2.gz NSQARIBDZRRAPJ-YESZJQIVSA-N 2 1 285.435 3.245 20 0 CGADMP CC(C)(C)OCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000354868001 277213947 /nfs/dbraw/zinc/21/39/47/277213947.db2.gz ZIPRABJMMUBIAX-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CC(C)(C)SCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000376764073 277222448 /nfs/dbraw/zinc/22/24/48/277222448.db2.gz JTIPXODIUAMKFJ-OAHLLOKOSA-N 2 1 284.513 3.468 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000279731128 277334385 /nfs/dbraw/zinc/33/43/85/277334385.db2.gz NNKWQNRLXGGTIP-RDJZCZTQSA-N 2 1 278.440 3.083 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000429349238 277351349 /nfs/dbraw/zinc/35/13/49/277351349.db2.gz MGADBFVQONYCAF-WBVHZDCISA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000429349238 277351350 /nfs/dbraw/zinc/35/13/50/277351350.db2.gz MGADBFVQONYCAF-WBVHZDCISA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000429349238 277351351 /nfs/dbraw/zinc/35/13/51/277351351.db2.gz MGADBFVQONYCAF-WBVHZDCISA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)=CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907489 288000860 /nfs/dbraw/zinc/00/08/60/288000860.db2.gz IZXABYHTRPTYBN-RBUKOAKNSA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)=CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907489 288000861 /nfs/dbraw/zinc/00/08/61/288000861.db2.gz IZXABYHTRPTYBN-RBUKOAKNSA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)=CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907489 288000863 /nfs/dbraw/zinc/00/08/63/288000863.db2.gz IZXABYHTRPTYBN-RBUKOAKNSA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261701328 278047780 /nfs/dbraw/zinc/04/77/80/278047780.db2.gz ILJVQUFFWGASCU-BMGDILEWSA-N 2 1 272.436 3.412 20 0 CGADMP CC(C[NH+]1CCC[C@@H](C)C1)C[N@H+]1CCC[C@@H](C)C1 ZINC000357745360 278156246 /nfs/dbraw/zinc/15/62/46/278156246.db2.gz RZRLYAOAKPESKI-HUUCEWRRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C[NH3+] ZINC000397433445 288023746 /nfs/dbraw/zinc/02/37/46/288023746.db2.gz FVGSUSOSJLCBMH-IIAWOOMASA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C[NH3+] ZINC000397433445 288023747 /nfs/dbraw/zinc/02/37/47/288023747.db2.gz FVGSUSOSJLCBMH-IIAWOOMASA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000397441762 288023753 /nfs/dbraw/zinc/02/37/53/288023753.db2.gz IRMVPYPBUJYSAC-IJEWVQPXSA-N 2 1 299.418 3.147 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397673115 288026957 /nfs/dbraw/zinc/02/69/57/288026957.db2.gz GICSDOCZXAWZFL-GWONACJQSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000353246036 278263102 /nfs/dbraw/zinc/26/31/02/278263102.db2.gz DQPLPVKOSZGDNL-SMDDNHRTSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261556301 278307159 /nfs/dbraw/zinc/30/71/59/278307159.db2.gz BWMSTBLLTNQIIA-UEEZHKSASA-N 2 1 264.800 3.070 20 0 CGADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000469984650 278336014 /nfs/dbraw/zinc/33/60/14/278336014.db2.gz UIQSCNFAHNBEJV-RDJZCZTQSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310746706 278468521 /nfs/dbraw/zinc/46/85/21/278468521.db2.gz IZQSNSRNALEQDR-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422701356 278782099 /nfs/dbraw/zinc/78/20/99/278782099.db2.gz BSCMHQBEKJTVRQ-RCCFBDPRSA-N 3 1 295.515 3.009 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccncc1 ZINC000423262234 288084793 /nfs/dbraw/zinc/08/47/93/288084793.db2.gz MBGFPIDSNRDHOD-JKSUJKDBSA-N 2 1 261.413 3.030 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000483720761 288104711 /nfs/dbraw/zinc/10/47/11/288104711.db2.gz GYZOAIARJTTXPV-BPXZUEPWSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000271346872 279143686 /nfs/dbraw/zinc/14/36/86/279143686.db2.gz XWMXHXWTZRBMEP-CHWSQXEVSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000271346872 279143690 /nfs/dbraw/zinc/14/36/90/279143690.db2.gz XWMXHXWTZRBMEP-CHWSQXEVSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2ccsc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000271346872 279143691 /nfs/dbraw/zinc/14/36/91/279143691.db2.gz XWMXHXWTZRBMEP-CHWSQXEVSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2ccsc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000271346872 279143693 /nfs/dbraw/zinc/14/36/93/279143693.db2.gz XWMXHXWTZRBMEP-CHWSQXEVSA-N 2 1 264.438 3.152 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000159276369 279261967 /nfs/dbraw/zinc/26/19/67/279261967.db2.gz AZHHVZADUOEVIY-QGZVFWFLSA-N 2 1 288.435 3.283 20 0 CGADMP C[C@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)C[NH+](C)C ZINC000293315105 279354641 /nfs/dbraw/zinc/35/46/41/279354641.db2.gz FGIVAMDHSLZGTD-MDZLAQPJSA-N 2 1 284.494 3.461 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(SC)CCC2)C[C@@H]1C ZINC000356139515 279397740 /nfs/dbraw/zinc/39/77/40/279397740.db2.gz SPTYTLZRXAGAFE-UONOGXRCSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(SC)CCC2)C[C@@H]1C ZINC000356139515 279397741 /nfs/dbraw/zinc/39/77/41/279397741.db2.gz SPTYTLZRXAGAFE-UONOGXRCSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(SC)CCC2)C[C@@H]1C ZINC000356139515 279397742 /nfs/dbraw/zinc/39/77/42/279397742.db2.gz SPTYTLZRXAGAFE-UONOGXRCSA-N 2 1 270.486 3.077 20 0 CGADMP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000423112103 279443857 /nfs/dbraw/zinc/44/38/57/279443857.db2.gz XCBGFSBTEPZPMX-ILXRZTDVSA-N 2 1 298.352 3.293 20 0 CGADMP C[C@H](C1CCCCC1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000521894818 288142910 /nfs/dbraw/zinc/14/29/10/288142910.db2.gz XRZYIUCXNBHHDV-CQSZACIVSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000521894818 288142911 /nfs/dbraw/zinc/14/29/11/288142911.db2.gz XRZYIUCXNBHHDV-CQSZACIVSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000361746181 288160763 /nfs/dbraw/zinc/16/07/63/288160763.db2.gz UVNSKKCNJZASNA-NNPSNHGLSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140976 280938812 /nfs/dbraw/zinc/93/88/12/280938812.db2.gz XTRGJTOWLJHTPN-CQSZACIVSA-N 2 1 258.409 3.272 20 0 CGADMP CC1(C)CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595287 281033801 /nfs/dbraw/zinc/03/38/01/281033801.db2.gz WNIKMKAFSCLDRD-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)OCC ZINC000530210966 288300498 /nfs/dbraw/zinc/30/04/98/288300498.db2.gz KRQZDEOJXNSBKH-KZNAEPCWSA-N 2 1 290.451 3.275 20 0 CGADMP CC1(C)CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000368218457 281135103 /nfs/dbraw/zinc/13/51/03/281135103.db2.gz GYPGNXKBSQJARQ-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C)[C@H](C(C)C)C3)c2c1 ZINC000487084540 281169804 /nfs/dbraw/zinc/16/98/04/281169804.db2.gz NIMHFVQSQDXJJL-SFHVURJKSA-N 2 1 283.419 3.320 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140955 281381562 /nfs/dbraw/zinc/38/15/62/281381562.db2.gz TZMGVXUUYGDXHW-AWEZNQCLSA-N 2 1 258.409 3.272 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000531702535 288341021 /nfs/dbraw/zinc/34/10/21/288341021.db2.gz IMKPBRKSCORRGQ-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000532192910 288354076 /nfs/dbraw/zinc/35/40/76/288354076.db2.gz FAPNRCFVKPCDPS-MSOLQXFVSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000532446229 288361107 /nfs/dbraw/zinc/36/11/07/288361107.db2.gz NFELLBJVMCAORS-HRCADAONSA-N 2 1 250.430 3.338 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000532446229 288361109 /nfs/dbraw/zinc/36/11/09/288361109.db2.gz NFELLBJVMCAORS-HRCADAONSA-N 2 1 250.430 3.338 20 0 CGADMP C[C@@H]([NH2+]C1(C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483698 289008537 /nfs/dbraw/zinc/00/85/37/289008537.db2.gz PURWXCCPOGLTTP-WBVHZDCISA-N 2 1 284.447 3.429 20 0 CGADMP CCc1[nH+]c2ccccc2c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000548791381 289022806 /nfs/dbraw/zinc/02/28/06/289022806.db2.gz JPCGFQORBVYGOY-UKRRQHHQSA-N 2 1 297.446 3.422 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884483 289027430 /nfs/dbraw/zinc/02/74/30/289027430.db2.gz LOHJHJLCJZFMRE-CAOSSQGBSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3C=CCCCCC3)C2)C1 ZINC000549840875 289055703 /nfs/dbraw/zinc/05/57/03/289055703.db2.gz PRVARDVCKFPLOP-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCOCC3)CCCCC1 ZINC000336845388 289061485 /nfs/dbraw/zinc/06/14/85/289061485.db2.gz AOXYPQXQAQHZRJ-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550123163 289067261 /nfs/dbraw/zinc/06/72/61/289067261.db2.gz PEICUJZIMAGNJB-RDTXWAMCSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550619055 289079166 /nfs/dbraw/zinc/07/91/66/289079166.db2.gz JZECHRISUPETOI-DZUCGIPZSA-N 2 1 258.409 3.068 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550619055 289079167 /nfs/dbraw/zinc/07/91/67/289079167.db2.gz JZECHRISUPETOI-DZUCGIPZSA-N 2 1 258.409 3.068 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCC12CCCC2 ZINC000550796401 289084579 /nfs/dbraw/zinc/08/45/79/289084579.db2.gz XXZSKFPOCAHDLN-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000550833453 289085664 /nfs/dbraw/zinc/08/56/64/289085664.db2.gz XNNXZTHBFXTLMP-ZDUSSCGKSA-N 2 1 296.842 3.169 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000550833453 289085666 /nfs/dbraw/zinc/08/56/66/289085666.db2.gz XNNXZTHBFXTLMP-ZDUSSCGKSA-N 2 1 296.842 3.169 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000550883261 289087917 /nfs/dbraw/zinc/08/79/17/289087917.db2.gz XECXOCMKMDOFLR-XJKSGUPXSA-N 2 1 288.460 3.374 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@H]2CCC[C@H]21 ZINC000552246605 289175132 /nfs/dbraw/zinc/17/51/32/289175132.db2.gz ZGSWODAUPJMADX-XFBWCDHKSA-N 2 1 296.817 3.442 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@H]2CCC[C@H]21 ZINC000552246605 289175134 /nfs/dbraw/zinc/17/51/34/289175134.db2.gz ZGSWODAUPJMADX-XFBWCDHKSA-N 2 1 296.817 3.442 20 0 CGADMP FCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552264929 289176539 /nfs/dbraw/zinc/17/65/39/289176539.db2.gz BHEOIVXIDAWWRP-OKZBNKHCSA-N 2 1 290.426 3.236 20 0 CGADMP CCC1CC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000556585728 289399271 /nfs/dbraw/zinc/39/92/71/289399271.db2.gz IONYAKALPLWAAW-PJPHBNEVSA-N 2 1 252.446 3.133 20 0 CGADMP CC1=CC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000556816666 289410540 /nfs/dbraw/zinc/41/05/40/289410540.db2.gz KVNBVZUCXTYQDH-HZPDHXFCSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000414803571 289796513 /nfs/dbraw/zinc/79/65/13/289796513.db2.gz DCLWCQUVHCFGAQ-AWEZNQCLSA-N 3 1 289.467 3.059 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261661310 290224858 /nfs/dbraw/zinc/22/48/58/290224858.db2.gz KOCHILQDRHCFMN-BNOWGMLFSA-N 2 1 298.352 3.308 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000252196591 290388182 /nfs/dbraw/zinc/38/81/82/290388182.db2.gz SLMXBDVIKALVSP-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1SC ZINC000424370595 295024438 /nfs/dbraw/zinc/02/44/38/295024438.db2.gz DSHOETGFIIADSN-IACUBPJLSA-N 2 1 294.464 3.338 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1Oc1cccnc1 ZINC000414803759 533697302 /nfs/dbraw/zinc/69/73/02/533697302.db2.gz WTUQGKZEWMJXIW-QGZVFWFLSA-N 2 1 299.418 3.255 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCC3CCCCC3)[C@H]2C1 ZINC000582513808 329099335 /nfs/dbraw/zinc/09/93/35/329099335.db2.gz QPHJWICWARFTNP-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP Fc1cccc(F)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152691516 321704412 /nfs/dbraw/zinc/70/44/12/321704412.db2.gz DVZOSORICKSKCK-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000564689969 322038875 /nfs/dbraw/zinc/03/88/75/322038875.db2.gz OGOOPUPZTOVLIU-QBPKDAKJSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000564689969 322038877 /nfs/dbraw/zinc/03/88/77/322038877.db2.gz OGOOPUPZTOVLIU-QBPKDAKJSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000564970277 322051830 /nfs/dbraw/zinc/05/18/30/322051830.db2.gz JLUFLGDUXZAPDK-KZNAEPCWSA-N 2 1 272.436 3.112 20 0 CGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C)cc1 ZINC000565311798 322072942 /nfs/dbraw/zinc/07/29/42/322072942.db2.gz JPWOTJSUXNPCEW-QGZVFWFLSA-N 2 1 271.408 3.402 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000566846652 322140278 /nfs/dbraw/zinc/14/02/78/322140278.db2.gz IITJVUSKEQMLNV-CJNGLKHVSA-N 2 1 280.843 3.202 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)CC(C)C ZINC000567188823 322153645 /nfs/dbraw/zinc/15/36/45/322153645.db2.gz UFEAGZKSNQYTGO-YYIAUSFCSA-N 2 1 284.488 3.289 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000567416457 322162643 /nfs/dbraw/zinc/16/26/43/322162643.db2.gz UTFCWLCCKKFQPE-HNAYVOBHSA-N 2 1 286.463 3.111 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624443 322170872 /nfs/dbraw/zinc/17/08/72/322170872.db2.gz PITQMBZMJOCIGF-FZMZJTMJSA-N 2 1 281.469 3.065 20 0 CGADMP Cc1cnc(CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1 ZINC000567761662 322176746 /nfs/dbraw/zinc/17/67/46/322176746.db2.gz MFCCKPYIAKMGAU-QGZVFWFLSA-N 2 1 289.467 3.047 20 0 CGADMP Cc1cnc(CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1 ZINC000567761662 322176747 /nfs/dbraw/zinc/17/67/47/322176747.db2.gz MFCCKPYIAKMGAU-QGZVFWFLSA-N 2 1 289.467 3.047 20 0 CGADMP Cc1cnc(CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000567761662 322176748 /nfs/dbraw/zinc/17/67/48/322176748.db2.gz MFCCKPYIAKMGAU-QGZVFWFLSA-N 2 1 289.467 3.047 20 0 CGADMP Cc1cnc(CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000567761662 322176749 /nfs/dbraw/zinc/17/67/49/322176749.db2.gz MFCCKPYIAKMGAU-QGZVFWFLSA-N 2 1 289.467 3.047 20 0 CGADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCCC2)CC1 ZINC000568164859 322195402 /nfs/dbraw/zinc/19/54/02/322195402.db2.gz BRNKAISHNZDDSZ-UHFFFAOYSA-N 2 1 261.413 3.009 20 0 CGADMP CC(C)C(C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000569741860 322256150 /nfs/dbraw/zinc/25/61/50/322256150.db2.gz CCCMIFPWANJJKG-GOEBONIOSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000569741860 322256152 /nfs/dbraw/zinc/25/61/52/322256152.db2.gz CCCMIFPWANJJKG-GOEBONIOSA-N 2 1 254.462 3.187 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000569279813 322242193 /nfs/dbraw/zinc/24/21/93/322242193.db2.gz FACRNUIPVODERM-HOTGVXAUSA-N 2 1 292.467 3.423 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000569279813 322242190 /nfs/dbraw/zinc/24/21/90/322242190.db2.gz FACRNUIPVODERM-HOTGVXAUSA-N 2 1 292.467 3.423 20 0 CGADMP CC1CCC(O)(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000569686501 322254007 /nfs/dbraw/zinc/25/40/07/322254007.db2.gz MOAZZXPNKVMWRD-ADKAHSJRSA-N 2 1 296.499 3.029 20 0 CGADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CCCc1cncn1C ZINC000569706735 322254768 /nfs/dbraw/zinc/25/47/68/322254768.db2.gz SBEYBQNDYGIOIG-ZBFHGGJFSA-N 2 1 263.429 3.253 20 0 CGADMP CC(C)C(C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)C(C)C ZINC000569741860 322256148 /nfs/dbraw/zinc/25/61/48/322256148.db2.gz CCCMIFPWANJJKG-GOEBONIOSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)C(C)C ZINC000569741860 322256147 /nfs/dbraw/zinc/25/61/47/322256147.db2.gz CCCMIFPWANJJKG-GOEBONIOSA-N 2 1 254.462 3.187 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCc3sc(Cl)cc3C2)CC[NH2+]1 ZINC000570163019 322266406 /nfs/dbraw/zinc/26/64/06/322266406.db2.gz YGZZCJTYYCYGSS-WDEREUQCSA-N 2 1 284.856 3.148 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)c1ccccc1 ZINC000571222812 322293431 /nfs/dbraw/zinc/29/34/31/322293431.db2.gz ZCVHSNNMESVIAX-OAHLLOKOSA-N 2 1 285.435 3.309 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000571246400 322293869 /nfs/dbraw/zinc/29/38/69/322293869.db2.gz IKEMMBHMHOPEPR-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000571246400 322293870 /nfs/dbraw/zinc/29/38/70/322293870.db2.gz IKEMMBHMHOPEPR-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000571246400 322293871 /nfs/dbraw/zinc/29/38/71/322293871.db2.gz IKEMMBHMHOPEPR-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccnc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000573384222 322385449 /nfs/dbraw/zinc/38/54/49/322385449.db2.gz SLWFWMSOGOTWPM-QGZVFWFLSA-N 2 1 287.451 3.055 20 0 CGADMP Cc1ccnc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000573384222 322385450 /nfs/dbraw/zinc/38/54/50/322385450.db2.gz SLWFWMSOGOTWPM-QGZVFWFLSA-N 2 1 287.451 3.055 20 0 CGADMP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cscn1 ZINC000578879241 327352722 /nfs/dbraw/zinc/35/27/22/327352722.db2.gz AJARKLGUUAQIMS-JSGCOSHPSA-N 2 1 275.421 3.274 20 0 CGADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCC3CCCCC3)[C@H]2C1 ZINC000582513808 329099330 /nfs/dbraw/zinc/09/93/30/329099330.db2.gz QPHJWICWARFTNP-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@H]2CC[NH+](CCCC3CCCCC3)[C@H]2C1 ZINC000582513808 329099331 /nfs/dbraw/zinc/09/93/31/329099331.db2.gz QPHJWICWARFTNP-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@H+](CCCC3CCCCC3)[C@H]2C1 ZINC000582513808 329099333 /nfs/dbraw/zinc/09/93/33/329099333.db2.gz QPHJWICWARFTNP-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000395151743 329281645 /nfs/dbraw/zinc/28/16/45/329281645.db2.gz ZCUZAWWPPLPRDB-AWEZNQCLSA-N 2 1 280.843 3.468 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(CC)CC ZINC000181425627 335761928 /nfs/dbraw/zinc/76/19/28/335761928.db2.gz IHFLPTKSBAWIDH-IAGOWNOFSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)c2sccc21 ZINC000581470812 336085273 /nfs/dbraw/zinc/08/52/73/336085273.db2.gz PCNLINPZNXDBPV-BXUZGUMPSA-N 2 1 275.421 3.252 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC000383598891 336114998 /nfs/dbraw/zinc/11/49/98/336114998.db2.gz UNFXJXBYRFWEJS-ZBFHGGJFSA-N 2 1 258.409 3.039 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](CCCc3cncn3C)C2)cc1 ZINC000581832069 336149517 /nfs/dbraw/zinc/14/95/17/336149517.db2.gz REWKMMNYMDPBOS-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000581832069 336149518 /nfs/dbraw/zinc/14/95/18/336149518.db2.gz REWKMMNYMDPBOS-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000581832069 336149519 /nfs/dbraw/zinc/14/95/19/336149519.db2.gz REWKMMNYMDPBOS-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000581847355 336151296 /nfs/dbraw/zinc/15/12/96/336151296.db2.gz GSTDDVVHQSQNPH-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000581847355 336151298 /nfs/dbraw/zinc/15/12/98/336151298.db2.gz GSTDDVVHQSQNPH-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000581892274 336161503 /nfs/dbraw/zinc/16/15/03/336161503.db2.gz HDKIHKMMDFBYHI-CQSZACIVSA-N 2 1 263.429 3.111 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000581892274 336161505 /nfs/dbraw/zinc/16/15/05/336161505.db2.gz HDKIHKMMDFBYHI-CQSZACIVSA-N 2 1 263.429 3.111 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000386184564 336167801 /nfs/dbraw/zinc/16/78/01/336167801.db2.gz JEOKJQXETDPOPG-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)C[NH+](C)C ZINC000386450631 336174978 /nfs/dbraw/zinc/17/49/78/336174978.db2.gz DOVOXBXJTDDCOV-QWRGUYRKSA-N 2 1 272.795 3.327 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cnc2ccsc2c1 ZINC000423532365 533852881 /nfs/dbraw/zinc/85/28/81/533852881.db2.gz VIFDNKNWTPGZIX-NSHDSACASA-N 2 1 275.421 3.089 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303687 533899018 /nfs/dbraw/zinc/89/90/18/533899018.db2.gz CGUISWXYUXEEEM-AYMQEEERSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303687 533899021 /nfs/dbraw/zinc/89/90/21/533899021.db2.gz CGUISWXYUXEEEM-AYMQEEERSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCSc2ccccc2)CC[N@H+]1C ZINC000358086773 533946601 /nfs/dbraw/zinc/94/66/01/533946601.db2.gz OSUYEZWXRRRAFC-HUUCEWRRSA-N 2 1 278.465 3.241 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423105423 534083976 /nfs/dbraw/zinc/08/39/76/534083976.db2.gz NFINGPUAFMCSKI-YPMHNXCESA-N 2 1 286.872 3.312 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358201303 534111596 /nfs/dbraw/zinc/11/15/96/534111596.db2.gz KDDHWHQDBPUYTP-DOTOQJQBSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000358201303 534111603 /nfs/dbraw/zinc/11/16/03/534111603.db2.gz KDDHWHQDBPUYTP-DOTOQJQBSA-N 2 1 272.436 3.429 20 0 CGADMP CC[N@H+](Cc1cccc(Cl)c1)CC1CC[NH2+]CC1 ZINC000094011414 521342895 /nfs/dbraw/zinc/34/28/95/521342895.db2.gz QSEAYBGHEXWMAC-UHFFFAOYSA-N 2 1 266.816 3.162 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Br)s1 ZINC000086814845 521650439 /nfs/dbraw/zinc/65/04/39/521650439.db2.gz WIHOEMBGQHRAIU-UHFFFAOYSA-N 2 1 291.258 3.118 20 0 CGADMP COCc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000088553563 523052048 /nfs/dbraw/zinc/05/20/48/523052048.db2.gz RPCSFOBPQDWZSK-UHFFFAOYSA-N 2 1 290.451 3.186 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157137029 524392134 /nfs/dbraw/zinc/39/21/34/524392134.db2.gz IIRHVGINTDBQFR-GOSISDBHSA-N 2 1 272.436 3.445 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000049551738 524477625 /nfs/dbraw/zinc/47/76/25/524477625.db2.gz JJGCHDMITZKPCO-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000088163776 525298331 /nfs/dbraw/zinc/29/83/31/525298331.db2.gz FNAPKJKFRZZSDC-AVOUXACISA-N 2 1 276.399 3.492 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)ccc2c1 ZINC000262552128 525627943 /nfs/dbraw/zinc/62/79/43/525627943.db2.gz SQEDIRJUPZNRHY-RDTXWAMCSA-N 2 1 298.430 3.265 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423282713 534878723 /nfs/dbraw/zinc/87/87/23/534878723.db2.gz VZYPWYSMQPFPMY-ZYHUDNBSSA-N 2 1 269.458 3.209 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000358356106 526286338 /nfs/dbraw/zinc/28/63/38/526286338.db2.gz OEBAKEJIQMICRS-QGZVFWFLSA-N 2 1 287.451 3.385 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157460244 526382456 /nfs/dbraw/zinc/38/24/56/526382456.db2.gz GYZKVPHBPZQVPS-ZLGJRNTRSA-N 2 1 288.410 3.288 20 0 CGADMP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414301299 526729897 /nfs/dbraw/zinc/72/98/97/526729897.db2.gz LPSLKJYYPNKLHQ-JKSUJKDBSA-N 2 1 264.457 3.418 20 0 CGADMP C(=C\C[N@H+]1CC[C@@H]2CCC[C@@H]21)\C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000426462778 527470475 /nfs/dbraw/zinc/47/04/75/527470475.db2.gz UJUAHRZZFIMFRQ-WCSGQROWSA-N 2 1 274.452 3.291 20 0 CGADMP C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000420393553 527477671 /nfs/dbraw/zinc/47/76/71/527477671.db2.gz JXDGIOGPQNOIBJ-MSOLQXFVSA-N 2 1 294.483 3.047 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411875624 527480990 /nfs/dbraw/zinc/48/09/90/527480990.db2.gz OEIPFGOSAYPEDR-UHFFFAOYSA-N 2 1 282.497 3.224 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCSC2(CCC2)CC1 ZINC000411875624 527480994 /nfs/dbraw/zinc/48/09/94/527480994.db2.gz OEIPFGOSAYPEDR-UHFFFAOYSA-N 2 1 282.497 3.224 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCCC2)[C@H](C)C1 ZINC000174775236 527753803 /nfs/dbraw/zinc/75/38/03/527753803.db2.gz QNRNPGJJXSNXAK-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CCCC2)[C@H](C)C1 ZINC000174775236 527753807 /nfs/dbraw/zinc/75/38/07/527753807.db2.gz QNRNPGJJXSNXAK-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CCCC2)[C@H](C)C1 ZINC000174775236 527753813 /nfs/dbraw/zinc/75/38/13/527753813.db2.gz QNRNPGJJXSNXAK-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000358039996 527805056 /nfs/dbraw/zinc/80/50/56/527805056.db2.gz AWSZGDISKSCICJ-RHSMWYFYSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000358039996 527805061 /nfs/dbraw/zinc/80/50/61/527805061.db2.gz AWSZGDISKSCICJ-RHSMWYFYSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2Cl)C1 ZINC000173902473 527818523 /nfs/dbraw/zinc/81/85/23/527818523.db2.gz UYGCQIMUTNHAEB-AWEZNQCLSA-N 2 1 280.843 3.156 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2Cl)C1 ZINC000173902473 527818532 /nfs/dbraw/zinc/81/85/32/527818532.db2.gz UYGCQIMUTNHAEB-AWEZNQCLSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC000173902473 527818539 /nfs/dbraw/zinc/81/85/39/527818539.db2.gz UYGCQIMUTNHAEB-AWEZNQCLSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000173902473 527818547 /nfs/dbraw/zinc/81/85/47/527818547.db2.gz UYGCQIMUTNHAEB-AWEZNQCLSA-N 2 1 280.843 3.156 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532753 527844545 /nfs/dbraw/zinc/84/45/45/527844545.db2.gz RUSBGCYAJMYZTK-BHYGNILZSA-N 2 1 260.425 3.156 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cncs2)c1 ZINC000123925542 527849633 /nfs/dbraw/zinc/84/96/33/527849633.db2.gz JFQUGXIWGRIAFQ-CYBMUJFWSA-N 2 1 289.448 3.446 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000367127854 527850552 /nfs/dbraw/zinc/85/05/52/527850552.db2.gz VSTSYQGHGCKNLO-ULQDDVLXSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423341969 528207410 /nfs/dbraw/zinc/20/74/10/528207410.db2.gz YOXWUQANPZQNGH-ZDUSSCGKSA-N 2 1 262.397 3.006 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423238245 528331804 /nfs/dbraw/zinc/33/18/04/528331804.db2.gz QYNFWSYDQCHNJK-NEPJUHHUSA-N 2 1 254.805 3.031 20 0 CGADMP CC[N@H+](CC[NH2+]C1CCC(CSC)CC1)C(C)C ZINC000449112887 528508520 /nfs/dbraw/zinc/50/85/20/528508520.db2.gz UEEVFOOGHAYLOX-UHFFFAOYSA-N 2 1 272.502 3.228 20 0 CGADMP CC[N@@H+](CC[NH2+]C1CCC(CSC)CC1)C(C)C ZINC000449112887 528508522 /nfs/dbraw/zinc/50/85/22/528508522.db2.gz UEEVFOOGHAYLOX-UHFFFAOYSA-N 2 1 272.502 3.228 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423263802 528517578 /nfs/dbraw/zinc/51/75/78/528517578.db2.gz OXJYRVGHIGMFSW-WCQYABFASA-N 2 1 286.366 3.312 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423271362 528536379 /nfs/dbraw/zinc/53/63/79/528536379.db2.gz IZZLEWZLYYRBIA-GJZGRUSLSA-N 2 1 266.816 3.364 20 0 CGADMP CC[N@H+](Cc1cccc(F)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414684121 528811597 /nfs/dbraw/zinc/81/15/97/528811597.db2.gz UVWVIZCGRXYPBU-HIFRSBDPSA-N 2 1 264.388 3.036 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000423288362 528954989 /nfs/dbraw/zinc/95/49/89/528954989.db2.gz RWCXUBHJAGGBJI-AWEZNQCLSA-N 2 1 294.464 3.339 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423298532 528955155 /nfs/dbraw/zinc/95/51/55/528955155.db2.gz OKNHMWQNYVJNRZ-HZPDHXFCSA-N 2 1 264.388 3.384 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423298196 528955860 /nfs/dbraw/zinc/95/58/60/528955860.db2.gz NOKISAZKRJXMOY-DZGCQCFKSA-N 2 1 292.423 3.016 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000423295774 528958764 /nfs/dbraw/zinc/95/87/64/528958764.db2.gz FPCCJRRGVCDLFO-IXDOHACOSA-N 2 1 260.425 3.430 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(C)c2)CC1 ZINC000449373635 528988987 /nfs/dbraw/zinc/98/89/87/528988987.db2.gz SVRFTJIJUVRHCM-CYBMUJFWSA-N 2 1 264.388 3.269 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000354971229 528999640 /nfs/dbraw/zinc/99/96/40/528999640.db2.gz SVBKTQQXSMRPLY-UHFFFAOYSA-N 2 1 276.399 3.277 20 0 CGADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC000356143329 529106161 /nfs/dbraw/zinc/10/61/61/529106161.db2.gz YCWNVTZNXCQWHK-AWEZNQCLSA-N 2 1 284.806 3.096 20 0 CGADMP CC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC000356143329 529106167 /nfs/dbraw/zinc/10/61/67/529106167.db2.gz YCWNVTZNXCQWHK-AWEZNQCLSA-N 2 1 284.806 3.096 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Cl)c1 ZINC000423313566 529173101 /nfs/dbraw/zinc/17/31/01/529173101.db2.gz FWBVNNLQPCOFHQ-ZIAGYGMSSA-N 2 1 252.789 3.118 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423263587 529257649 /nfs/dbraw/zinc/25/76/49/529257649.db2.gz BDKKBCCRCXPIKS-GXTWGEPZSA-N 2 1 266.454 3.433 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449139987 529274193 /nfs/dbraw/zinc/27/41/93/529274193.db2.gz BONUISGQOJTDMR-GDBMZVCRSA-N 2 1 264.413 3.065 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449139987 529274194 /nfs/dbraw/zinc/27/41/94/529274194.db2.gz BONUISGQOJTDMR-GDBMZVCRSA-N 2 1 264.413 3.065 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000128464054 535037616 /nfs/dbraw/zinc/03/76/16/535037616.db2.gz SIXZVGAMXCUNBC-QGZVFWFLSA-N 2 1 278.440 3.279 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOc1ccccc1Cl ZINC000123709075 535063324 /nfs/dbraw/zinc/06/33/24/535063324.db2.gz BSPCWZOFKACMST-CQSZACIVSA-N 2 1 284.831 3.024 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000517446733 535177090 /nfs/dbraw/zinc/17/70/90/535177090.db2.gz PHGNBAHZLSWJOB-MRXNPFEDSA-N 2 1 286.463 3.111 20 0 CGADMP CCCc1csc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000494105032 535448513 /nfs/dbraw/zinc/44/85/13/535448513.db2.gz GOXYYLIJCUMINN-GOOCMWNKSA-N 2 1 293.480 3.201 20 0 CGADMP CCCc1csc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000494105032 535448517 /nfs/dbraw/zinc/44/85/17/535448517.db2.gz GOXYYLIJCUMINN-GOOCMWNKSA-N 2 1 293.480 3.201 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422904561 535819839 /nfs/dbraw/zinc/81/98/39/535819839.db2.gz GYIAKBVZBJMRQN-BRWVUGGUSA-N 2 1 295.515 3.137 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000453604261 536338752 /nfs/dbraw/zinc/33/87/52/536338752.db2.gz YMCBRSGVIKQTBD-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000459772267 536384258 /nfs/dbraw/zinc/38/42/58/536384258.db2.gz IIQWDXCELFTCSW-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000250701773 571692394 /nfs/dbraw/zinc/69/23/94/571692394.db2.gz ODTPGDWUQNWNBB-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C)cc2)C[C@@H]1C ZINC000740882108 571891220 /nfs/dbraw/zinc/89/12/20/571891220.db2.gz GPOSIAUJKRWGKM-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C)cc2)C[C@@H]1C ZINC000740882108 571891222 /nfs/dbraw/zinc/89/12/22/571891222.db2.gz GPOSIAUJKRWGKM-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C)cc2)C[C@@H]1C ZINC000740882108 571891225 /nfs/dbraw/zinc/89/12/25/571891225.db2.gz GPOSIAUJKRWGKM-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)s1 ZINC000183950325 572350423 /nfs/dbraw/zinc/35/04/23/572350423.db2.gz DIZLTOLAQOWFGA-GFCCVEGCSA-N 2 1 281.469 3.224 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2csc3ccccc23)CC1 ZINC000049943326 618031169 /nfs/dbraw/zinc/03/11/69/618031169.db2.gz KQEPRJVECOBKGT-UHFFFAOYSA-N 2 1 260.406 3.085 20 0 CGADMP CC(C)[N@@H+](CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000891465825 618227360 /nfs/dbraw/zinc/22/73/60/618227360.db2.gz FNUHQSNVCFNPAB-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CCN1CCC([N@H+](C)Cc2ccc(CC(C)C)nc2)CC1 ZINC000891562042 618239287 /nfs/dbraw/zinc/23/92/87/618239287.db2.gz ORTGURWZEBKKQV-UHFFFAOYSA-N 2 1 289.467 3.196 20 0 CGADMP COCCCC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000892098829 618528781 /nfs/dbraw/zinc/52/87/81/618528781.db2.gz RFHZIWWACLTDMU-KRWDZBQOSA-N 2 1 294.483 3.001 20 0 CGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]2CCCC[C@@H]21 ZINC000121891956 618660683 /nfs/dbraw/zinc/66/06/83/618660683.db2.gz SAZYUAPWCLXWBT-PQEBFOHHSA-N 2 1 276.468 3.275 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CCC(C)(C)CC2)CC[NH2+]1 ZINC000235378649 618772676 /nfs/dbraw/zinc/77/26/76/618772676.db2.gz YQHVKVWQSOWJIE-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(F)ncc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000892583799 618867626 /nfs/dbraw/zinc/86/76/26/618867626.db2.gz FMKBLLWJGZZOEC-OAHLLOKOSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1[nH+]ccn1CCCSCC[NH+](C(C)C)C(C)C ZINC000160964036 618869668 /nfs/dbraw/zinc/86/96/68/618869668.db2.gz DAOAIWVHPSRQND-UHFFFAOYSA-N 2 1 283.485 3.434 20 0 CGADMP Cn1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309688479 618935034 /nfs/dbraw/zinc/93/50/34/618935034.db2.gz CGFXNMGZLOLQBA-LJQANCHMSA-N 2 1 297.446 3.027 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000892964203 618965544 /nfs/dbraw/zinc/96/55/44/618965544.db2.gz MPHFYIXHVWHTGR-NPYXIHBLSA-N 2 1 287.451 3.302 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000892964203 618965545 /nfs/dbraw/zinc/96/55/45/618965545.db2.gz MPHFYIXHVWHTGR-NPYXIHBLSA-N 2 1 287.451 3.302 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000893030483 618980911 /nfs/dbraw/zinc/98/09/11/618980911.db2.gz QSRAQCUMRLPNIP-UHFFFAOYSA-N 2 1 293.361 3.082 20 0 CGADMP COc1ccc([C@@H](C)CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925517342 619010186 /nfs/dbraw/zinc/01/01/86/619010186.db2.gz NQFFHOWSSQIOPN-YOEHRIQHSA-N 2 1 288.435 3.063 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C(C)C)C1 ZINC000925587245 619075167 /nfs/dbraw/zinc/07/51/67/619075167.db2.gz HLNRCTSKIJUBDF-KURKYZTESA-N 2 1 296.499 3.005 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cc2ccccc2o1 ZINC000925643081 619102638 /nfs/dbraw/zinc/10/26/38/619102638.db2.gz DVZJCESYDMYIGS-RLCCDNCMSA-N 2 1 270.376 3.353 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)C12CCC2 ZINC000925719130 619164591 /nfs/dbraw/zinc/16/45/91/619164591.db2.gz OWDSSOOGKMCABT-ZJUUUORDSA-N 2 1 290.354 3.126 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)n1 ZINC000925765130 619225643 /nfs/dbraw/zinc/22/56/43/619225643.db2.gz JMIUJKGUCFVYGI-SOUVJXGZSA-N 2 1 293.842 3.054 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)s1 ZINC000925778525 619241303 /nfs/dbraw/zinc/24/13/03/619241303.db2.gz JUVJPUFGVFBQNL-BDAKNGLRSA-N 2 1 294.798 3.297 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094371276 619244910 /nfs/dbraw/zinc/24/49/10/619244910.db2.gz ZLNQVYMZLBMNPJ-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccccc1 ZINC000925854882 619296441 /nfs/dbraw/zinc/29/64/41/619296441.db2.gz BERWEFRZKKAHDN-CWRNSKLLSA-N 2 1 290.476 3.483 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050663 619359160 /nfs/dbraw/zinc/35/91/60/619359160.db2.gz SNYKQUPJGXQMDN-OCCSQVGLSA-N 2 1 282.453 3.164 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050662 619359379 /nfs/dbraw/zinc/35/93/79/619359379.db2.gz SNYKQUPJGXQMDN-JSGCOSHPSA-N 2 1 282.453 3.164 20 0 CGADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C2CCC2)n1 ZINC000894087524 619368640 /nfs/dbraw/zinc/36/86/40/619368640.db2.gz KPWBMXIBFKIYFC-GOOCMWNKSA-N 2 1 286.423 3.090 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261758715 619402000 /nfs/dbraw/zinc/40/20/00/619402000.db2.gz NMWUPUVLVQKLBT-SMDDNHRTSA-N 2 1 287.794 3.076 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261792178 619431025 /nfs/dbraw/zinc/43/10/25/619431025.db2.gz GEWRSVPWNQZNSU-QEJZJMRPSA-N 2 1 298.352 3.183 20 0 CGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000924958699 619461872 /nfs/dbraw/zinc/46/18/72/619461872.db2.gz GIVHWVLKVAJIBC-BRWVUGGUSA-N 2 1 284.488 3.026 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000894517973 619561345 /nfs/dbraw/zinc/56/13/45/619561345.db2.gz TURWGTIDOHASHH-HNNXBMFYSA-N 2 1 278.465 3.473 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000035054327 620289279 /nfs/dbraw/zinc/28/92/79/620289279.db2.gz KRSCQXYXGJOBSX-UHFFFAOYSA-N 2 1 298.352 3.422 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000237363881 620369910 /nfs/dbraw/zinc/36/99/10/620369910.db2.gz PFIVLIHOCIDQAM-LBPRGKRZSA-N 2 1 277.799 3.271 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898018084 620467397 /nfs/dbraw/zinc/46/73/97/620467397.db2.gz YXCHDAAUQPORNC-GFCCVEGCSA-N 2 1 283.366 3.063 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CCCC2)CC[N@H+]1C ZINC000898032752 620469999 /nfs/dbraw/zinc/46/99/99/620469999.db2.gz WYMJHOVPMZGXRE-OWCLPIDISA-N 2 1 250.430 3.195 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCSC3(CCC3)C2)CC1 ZINC000927041034 620567538 /nfs/dbraw/zinc/56/75/38/620567538.db2.gz XHZITSVAGMHGAA-CQSZACIVSA-N 2 1 280.481 3.021 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750589 620621561 /nfs/dbraw/zinc/62/15/61/620621561.db2.gz FZSANVOPTIDUOS-HZPDHXFCSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750589 620621563 /nfs/dbraw/zinc/62/15/63/620621563.db2.gz FZSANVOPTIDUOS-HZPDHXFCSA-N 2 1 289.467 3.113 20 0 CGADMP C[N@@H+](CCCN[C@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902333164 621269094 /nfs/dbraw/zinc/26/90/94/621269094.db2.gz HOVNLLQGLPEOIQ-INIZCTEOSA-N 2 1 295.515 3.009 20 0 CGADMP C[N@H+](CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902333164 621269104 /nfs/dbraw/zinc/26/91/04/621269104.db2.gz HOVNLLQGLPEOIQ-INIZCTEOSA-N 3 1 295.515 3.009 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902333164 621269112 /nfs/dbraw/zinc/26/91/12/621269112.db2.gz HOVNLLQGLPEOIQ-INIZCTEOSA-N 3 1 295.515 3.009 20 0 CGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)c(F)c1 ZINC000902455291 621333191 /nfs/dbraw/zinc/33/31/91/621333191.db2.gz KNIFRSSASSWPRO-AXAPSJFSSA-N 2 1 292.373 3.085 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902736516 621420008 /nfs/dbraw/zinc/42/00/08/621420008.db2.gz UFEDGVONOVORHJ-ROUUACIJSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903059675 621547673 /nfs/dbraw/zinc/54/76/73/621547673.db2.gz OCTGXNSBTGZSHP-QAPCUYQASA-N 2 1 287.451 3.387 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903059675 621547680 /nfs/dbraw/zinc/54/76/80/621547680.db2.gz OCTGXNSBTGZSHP-QAPCUYQASA-N 2 1 287.451 3.387 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903120375 621588513 /nfs/dbraw/zinc/58/85/13/621588513.db2.gz OGSOCKFGTQSYLW-DLWDZIBASA-N 2 1 262.441 3.313 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)s1 ZINC000903210520 621630201 /nfs/dbraw/zinc/63/02/01/621630201.db2.gz ZAKSXHRSPDBPHG-UFBLJUAHSA-N 2 1 291.464 3.260 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000903210520 621630203 /nfs/dbraw/zinc/63/02/03/621630203.db2.gz ZAKSXHRSPDBPHG-UFBLJUAHSA-N 2 1 291.464 3.260 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)[C@@H]2CCC[C@@H]21 ZINC000903247684 621650705 /nfs/dbraw/zinc/65/07/05/621650705.db2.gz XIVDFAKELRCMPP-QAETUUGQSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)[C@@H]2CCC[C@H]21 ZINC000903247683 621650828 /nfs/dbraw/zinc/65/08/28/621650828.db2.gz XIVDFAKELRCMPP-LUKYLMHMSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000903283766 621651594 /nfs/dbraw/zinc/65/15/94/621651594.db2.gz MYGAWMKKUKOQAY-KBXIAJHMSA-N 2 1 282.497 3.123 20 0 CGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427054 621741455 /nfs/dbraw/zinc/74/14/55/621741455.db2.gz RSQMNELBBYPTBE-QAPCUYQASA-N 2 1 268.404 3.399 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903437612 621746114 /nfs/dbraw/zinc/74/61/14/621746114.db2.gz KJQYTQOSZRTELI-UKPHBRMFSA-N 2 1 258.409 3.123 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccccc2CC(C)C)CC1 ZINC000903423595 621751552 /nfs/dbraw/zinc/75/15/52/621751552.db2.gz XYPQGIHWUNDKEJ-UHFFFAOYSA-N 2 1 260.425 3.069 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000903461583 621752428 /nfs/dbraw/zinc/75/24/28/621752428.db2.gz VCQRCRBEPFBPIN-JSGCOSHPSA-N 2 1 264.438 3.110 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903452314 621761167 /nfs/dbraw/zinc/76/11/67/621761167.db2.gz LABMURXQSLSBIN-BZUAXINKSA-N 2 1 294.389 3.239 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903454109 621761480 /nfs/dbraw/zinc/76/14/80/621761480.db2.gz UTGDAESCTIFGKA-UONOGXRCSA-N 2 1 274.399 3.133 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc2[nH]1 ZINC000903481504 621765265 /nfs/dbraw/zinc/76/52/65/621765265.db2.gz DVNOJYDWPIZXLQ-SFHVURJKSA-N 2 1 283.419 3.134 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903729551 621797259 /nfs/dbraw/zinc/79/72/59/621797259.db2.gz OPXVLAZZJYBLSA-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734707 621800446 /nfs/dbraw/zinc/80/04/46/621800446.db2.gz VEOKGBWOMNNTNZ-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903899929 621830044 /nfs/dbraw/zinc/83/00/44/621830044.db2.gz YURONOCZNFUUEU-ZFWWWQNUSA-N 2 1 282.378 3.423 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903899929 621830045 /nfs/dbraw/zinc/83/00/45/621830045.db2.gz YURONOCZNFUUEU-ZFWWWQNUSA-N 2 1 282.378 3.423 20 0 CGADMP CC[C@](C)([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc(F)cc1 ZINC000903935444 621835688 /nfs/dbraw/zinc/83/56/88/621835688.db2.gz POPGMXSIUTXHNU-JSGCOSHPSA-N 2 1 274.330 3.023 20 0 CGADMP C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903917277 621836418 /nfs/dbraw/zinc/83/64/18/621836418.db2.gz YEQMMMZSIDBKFJ-ZBFHGGJFSA-N 2 1 282.378 3.066 20 0 CGADMP C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903917277 621836420 /nfs/dbraw/zinc/83/64/20/621836420.db2.gz YEQMMMZSIDBKFJ-ZBFHGGJFSA-N 2 1 282.378 3.066 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000903947471 621840123 /nfs/dbraw/zinc/84/01/23/621840123.db2.gz WGTSNVQBMKDHBJ-UHFFFAOYSA-N 2 1 288.435 3.179 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc(SC)c(OC)c2)CC1 ZINC000903947039 621840555 /nfs/dbraw/zinc/84/05/55/621840555.db2.gz KPHOBEYMORCPQB-UHFFFAOYSA-N 2 1 294.464 3.120 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c2ccccc12 ZINC000903977763 621844863 /nfs/dbraw/zinc/84/48/63/621844863.db2.gz YWCUBYVOBWJCPS-HUUCEWRRSA-N 2 1 298.430 3.265 20 0 CGADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304002 621901956 /nfs/dbraw/zinc/90/19/56/621901956.db2.gz OQXXLEDVDPFJMZ-INIZCTEOSA-N 2 1 298.377 3.110 20 0 CGADMP CCC[N@H+](Cc1c(F)cccc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904310075 621903334 /nfs/dbraw/zinc/90/33/34/621903334.db2.gz VTUHWSVVPMRJOG-TXEJJXNPSA-N 2 1 284.806 3.428 20 0 CGADMP C[C@]1(C[N@@H+]2CCS[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000904322564 621905979 /nfs/dbraw/zinc/90/59/79/621905979.db2.gz ZUELYYFGXCQLKA-IRXDYDNUSA-N 2 1 290.476 3.166 20 0 CGADMP C[C@]1(C[N@H+]2CCS[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000904322564 621905983 /nfs/dbraw/zinc/90/59/83/621905983.db2.gz ZUELYYFGXCQLKA-IRXDYDNUSA-N 2 1 290.476 3.166 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904334536 621908569 /nfs/dbraw/zinc/90/85/69/621908569.db2.gz YTQZZDNHVITSOD-NSHDSACASA-N 2 1 286.341 3.324 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406022 621917813 /nfs/dbraw/zinc/91/78/13/621917813.db2.gz NRBHZWOVLOOSFH-OAHLLOKOSA-N 2 1 276.424 3.036 20 0 CGADMP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000904406739 621918026 /nfs/dbraw/zinc/91/80/26/621918026.db2.gz YYUWNBVPHVGUOE-VIFPVBQESA-N 2 1 291.197 3.303 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000904406739 621918030 /nfs/dbraw/zinc/91/80/30/621918030.db2.gz YYUWNBVPHVGUOE-VIFPVBQESA-N 2 1 291.197 3.303 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590382 622251068 /nfs/dbraw/zinc/25/10/68/622251068.db2.gz PYQUWQRLNFCKKI-OKZBNKHCSA-N 2 1 288.410 3.099 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590382 622251070 /nfs/dbraw/zinc/25/10/70/622251070.db2.gz PYQUWQRLNFCKKI-OKZBNKHCSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590382 622251072 /nfs/dbraw/zinc/25/10/72/622251072.db2.gz PYQUWQRLNFCKKI-OKZBNKHCSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590382 622251075 /nfs/dbraw/zinc/25/10/75/622251075.db2.gz PYQUWQRLNFCKKI-OKZBNKHCSA-N 2 1 288.410 3.099 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000164212532 622819751 /nfs/dbraw/zinc/81/97/51/622819751.db2.gz JTRJCCYENNHPSR-UHFFFAOYSA-N 2 1 270.779 3.181 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000164642914 622840434 /nfs/dbraw/zinc/84/04/34/622840434.db2.gz MFFASFSDFYNZBI-ZDUSSCGKSA-N 2 1 283.485 3.482 20 0 CGADMP c1csc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157091992 622863161 /nfs/dbraw/zinc/86/31/61/622863161.db2.gz XBCPPAFCCYGMBP-OAHLLOKOSA-N 2 1 278.465 3.241 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000168629314 623010994 /nfs/dbraw/zinc/01/09/94/623010994.db2.gz GYAOZZIJCRZYKQ-YPMHNXCESA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000168629314 623011010 /nfs/dbraw/zinc/01/10/10/623011010.db2.gz GYAOZZIJCRZYKQ-YPMHNXCESA-N 2 1 289.810 3.057 20 0 CGADMP CCCC[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000914876129 623872956 /nfs/dbraw/zinc/87/29/56/623872956.db2.gz GAYFIBDLYDOQAC-IYBDPMFKSA-N 2 1 290.451 3.186 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccnc2)C12CCC2 ZINC000925476668 624441636 /nfs/dbraw/zinc/44/16/36/624441636.db2.gz HMTFESWLBPAAIE-KZNAEPCWSA-N 2 1 293.414 3.031 20 0 CGADMP C[N@@H+](Cc1csc2ccccc12)C1CC[NH2+]CC1 ZINC000084623442 625766474 /nfs/dbraw/zinc/76/64/74/625766474.db2.gz JMTUOLSALUFINY-UHFFFAOYSA-N 2 1 260.406 3.085 20 0 CGADMP Fc1ccc2c(c1)C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923373767 626149188 /nfs/dbraw/zinc/14/91/88/626149188.db2.gz RDEOOEBOXOXSND-CNUNBNKRSA-N 2 1 288.410 3.105 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000923481620 626156875 /nfs/dbraw/zinc/15/68/75/626156875.db2.gz SUJQITPBNLROGS-JFIYKMOQSA-N 2 1 272.436 3.241 20 0 CGADMP CCCCCC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000759339127 626889162 /nfs/dbraw/zinc/88/91/62/626889162.db2.gz RWZMSPGQNCCNLN-SFHVURJKSA-N 2 1 296.499 3.268 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCc2c(C)cccc2C1 ZINC000767369478 627402348 /nfs/dbraw/zinc/40/23/48/627402348.db2.gz FNDVHDUMJXASSZ-UHFFFAOYSA-N 2 1 283.419 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(C)cccc2C1 ZINC000767369478 627402349 /nfs/dbraw/zinc/40/23/49/627402349.db2.gz FNDVHDUMJXASSZ-UHFFFAOYSA-N 2 1 283.419 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(C)cccc2C1 ZINC000767369478 627402351 /nfs/dbraw/zinc/40/23/51/627402351.db2.gz FNDVHDUMJXASSZ-UHFFFAOYSA-N 2 1 283.419 3.338 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000769870261 627585351 /nfs/dbraw/zinc/58/53/51/627585351.db2.gz FQGHVKZMRCPCLN-HIFRSBDPSA-N 2 1 293.455 3.316 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000769870261 627585353 /nfs/dbraw/zinc/58/53/53/627585353.db2.gz FQGHVKZMRCPCLN-HIFRSBDPSA-N 2 1 293.455 3.316 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@H]2CCc3ccccc32)CCCC1 ZINC000775606739 628113043 /nfs/dbraw/zinc/11/30/43/628113043.db2.gz RECIYDPVKWTTDH-MRXNPFEDSA-N 2 1 272.436 3.180 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622072 628114852 /nfs/dbraw/zinc/11/48/52/628114852.db2.gz PHYJCEDERZHXBE-ZIAGYGMSSA-N 2 1 271.408 3.160 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccccn1)C(C)C ZINC000776005557 628157293 /nfs/dbraw/zinc/15/72/93/628157293.db2.gz AETRZBLUOAHUCW-PBHICJAKSA-N 2 1 286.423 3.210 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCc3ccccc32)C1 ZINC000780292931 628479826 /nfs/dbraw/zinc/47/98/26/628479826.db2.gz OJFWNXMSOVUHGD-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292931 628479828 /nfs/dbraw/zinc/47/98/28/628479828.db2.gz OJFWNXMSOVUHGD-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292931 628479830 /nfs/dbraw/zinc/47/98/30/628479830.db2.gz OJFWNXMSOVUHGD-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000782183130 628621048 /nfs/dbraw/zinc/62/10/48/628621048.db2.gz IGIBSUZKJPSLSX-HNNXBMFYSA-N 2 1 260.425 3.330 20 0 CGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000788482924 629058392 /nfs/dbraw/zinc/05/83/92/629058392.db2.gz YYQBYWAIGILVJB-SJORKVTESA-N 2 1 296.499 3.244 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)nc1 ZINC000789595556 629149252 /nfs/dbraw/zinc/14/92/52/629149252.db2.gz VKHARJANQXCJRE-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790047653 629179603 /nfs/dbraw/zinc/17/96/03/629179603.db2.gz ANXNEISTSJZVQI-SJLPKXTDSA-N 2 1 286.463 3.426 20 0 CGADMP Cc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C)o1 ZINC000791011366 629249774 /nfs/dbraw/zinc/24/97/74/629249774.db2.gz QPWRJUPZGDZVFT-UHFFFAOYSA-N 2 1 264.413 3.108 20 0 CGADMP C[C@@H](C[NH2+]Cc1cnc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000865419736 630113614 /nfs/dbraw/zinc/11/36/14/630113614.db2.gz YYKWKASIQREZTR-LBPRGKRZSA-N 2 1 299.821 3.086 20 0 CGADMP Cc1ncccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738842 630794648 /nfs/dbraw/zinc/79/46/48/630794648.db2.gz MHSGVQGNACXXJR-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000809753297 630800135 /nfs/dbraw/zinc/80/01/35/630800135.db2.gz PUBNOKIZHWZUNJ-UHFFFAOYSA-N 2 1 292.814 3.070 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000809753297 630800140 /nfs/dbraw/zinc/80/01/40/630800140.db2.gz PUBNOKIZHWZUNJ-UHFFFAOYSA-N 2 1 292.814 3.070 20 0 CGADMP C[C@]1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1(Cl)Cl ZINC000817935250 632238260 /nfs/dbraw/zinc/23/82/60/632238260.db2.gz AVRQROWKPZYPGB-RWMBFGLXSA-N 2 1 285.218 3.305 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000817963506 632258717 /nfs/dbraw/zinc/25/87/17/632258717.db2.gz SOSUYSFMPBWGFH-CZUORRHYSA-N 2 1 294.439 3.010 20 0 CGADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])ccc1SC(F)F ZINC000817971359 632264726 /nfs/dbraw/zinc/26/47/26/632264726.db2.gz LNGKRXYGZHFBNP-BDAKNGLRSA-N 2 1 290.379 3.008 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000817981496 632271169 /nfs/dbraw/zinc/27/11/69/632271169.db2.gz LBVYPURZPJNAFX-SUMWQHHRSA-N 2 1 276.424 3.253 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000844225337 635833793 /nfs/dbraw/zinc/83/37/93/635833793.db2.gz NTFDKYBJEBZRJN-HUUCEWRRSA-N 2 1 291.439 3.010 20 0 CGADMP CCC(CC)(C[NH2+]C1CC[NH+](C)CC1)C(F)(F)F ZINC000865756825 632880316 /nfs/dbraw/zinc/88/03/16/632880316.db2.gz DHQQHKAGQOVGFC-UHFFFAOYSA-N 2 1 266.351 3.039 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663653 633001900 /nfs/dbraw/zinc/00/19/00/633001900.db2.gz GWSPJGMOKBEYQU-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663653 633001885 /nfs/dbraw/zinc/00/18/85/633001885.db2.gz GWSPJGMOKBEYQU-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663653 633001887 /nfs/dbraw/zinc/00/18/87/633001887.db2.gz GWSPJGMOKBEYQU-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663653 633001890 /nfs/dbraw/zinc/00/18/90/633001890.db2.gz GWSPJGMOKBEYQU-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822663653 633001894 /nfs/dbraw/zinc/00/18/94/633001894.db2.gz GWSPJGMOKBEYQU-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cc2c(ccnc2Cl)o1 ZINC000866214180 633031451 /nfs/dbraw/zinc/03/14/51/633031451.db2.gz LNWGBZKRUYFMGB-JTQLQIEISA-N 2 1 281.787 3.084 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000866218026 633032783 /nfs/dbraw/zinc/03/27/83/633032783.db2.gz KLKMPIYDEBKDGS-IAGOWNOFSA-N 2 1 289.467 3.257 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCc1cccnc1)[NH+]1CCCC1 ZINC000866226522 633034616 /nfs/dbraw/zinc/03/46/16/633034616.db2.gz LYHOLVOMBCEMIB-FUHWJXTLSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000866243325 633041130 /nfs/dbraw/zinc/04/11/30/633041130.db2.gz PYBIUJOGUYIHLA-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000866243325 633041135 /nfs/dbraw/zinc/04/11/35/633041135.db2.gz PYBIUJOGUYIHLA-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(F)cccc32)C1 ZINC000866262848 633050098 /nfs/dbraw/zinc/05/00/98/633050098.db2.gz HKAJPKLJSQTWPX-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866584190 633202421 /nfs/dbraw/zinc/20/24/21/633202421.db2.gz NKAMVIPLOOHGCZ-YQQAZPJKSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584190 633202424 /nfs/dbraw/zinc/20/24/24/633202424.db2.gz NKAMVIPLOOHGCZ-YQQAZPJKSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584190 633202435 /nfs/dbraw/zinc/20/24/35/633202435.db2.gz NKAMVIPLOOHGCZ-YQQAZPJKSA-N 2 1 258.409 3.082 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866584155 633202508 /nfs/dbraw/zinc/20/25/08/633202508.db2.gz NAYCBOTYGTZYQY-BBWFWOEESA-N 2 1 258.409 3.164 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584155 633202510 /nfs/dbraw/zinc/20/25/10/633202510.db2.gz NAYCBOTYGTZYQY-BBWFWOEESA-N 2 1 258.409 3.164 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584155 633202512 /nfs/dbraw/zinc/20/25/12/633202512.db2.gz NAYCBOTYGTZYQY-BBWFWOEESA-N 2 1 258.409 3.164 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000866705309 633234766 /nfs/dbraw/zinc/23/47/66/633234766.db2.gz XQIBILQUKJNNPO-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000866705309 633234770 /nfs/dbraw/zinc/23/47/70/633234770.db2.gz XQIBILQUKJNNPO-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000880255726 635958833 /nfs/dbraw/zinc/95/88/33/635958833.db2.gz WTFQFVLERSAQSX-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCCOC1 ZINC000872019268 633939461 /nfs/dbraw/zinc/93/94/61/633939461.db2.gz UMFFGFLQFDINOA-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000872024220 633944455 /nfs/dbraw/zinc/94/44/55/633944455.db2.gz YUDVFIMMLIRDHM-ZACQAIPSSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000872024220 633944460 /nfs/dbraw/zinc/94/44/60/633944460.db2.gz YUDVFIMMLIRDHM-ZACQAIPSSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)C(C)(C)CC ZINC000872025564 633945892 /nfs/dbraw/zinc/94/58/92/633945892.db2.gz OZBFZMUAIIKKIM-AWEZNQCLSA-N 2 1 251.418 3.386 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872073711 633995860 /nfs/dbraw/zinc/99/58/60/633995860.db2.gz VEHCFXSNBKDBFW-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872073711 633995864 /nfs/dbraw/zinc/99/58/64/633995864.db2.gz VEHCFXSNBKDBFW-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP [NH3+]CCCCCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000846217429 636161191 /nfs/dbraw/zinc/16/11/91/636161191.db2.gz AXGJGEZVFWFUJW-UHFFFAOYSA-N 2 1 278.415 3.352 20 0 CGADMP CC1([NH+]2CCCCC2)CCN(CCCCCCC[NH3+])CC1 ZINC000872146088 634064379 /nfs/dbraw/zinc/06/43/79/634064379.db2.gz FGGMBTGGYJRLNA-UHFFFAOYSA-N 2 1 295.515 3.236 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ncccc1C(F)(F)F ZINC000872155182 634066036 /nfs/dbraw/zinc/06/60/36/634066036.db2.gz GDOOGSXYBZXPIF-UHFFFAOYSA-N 2 1 289.345 3.051 20 0 CGADMP CCOc1cccc(F)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000873130537 634252636 /nfs/dbraw/zinc/25/26/36/634252636.db2.gz HEORSXXZBFQPSM-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC[N@H+]1C ZINC000834891916 634269570 /nfs/dbraw/zinc/26/95/70/634269570.db2.gz JWPHXDMUYZXPPQ-WOPDTQHZSA-N 2 1 279.255 3.033 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[N@H+](C)C1CC1 ZINC000834908148 634283392 /nfs/dbraw/zinc/28/33/92/634283392.db2.gz CBJCYDKNDXDHEE-GOSISDBHSA-N 2 1 272.436 3.446 20 0 CGADMP COc1cccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1F ZINC000873223047 634290863 /nfs/dbraw/zinc/29/08/63/634290863.db2.gz HGPKPNGFTAXZHH-KRWDZBQOSA-N 2 1 294.414 3.031 20 0 CGADMP COc1cccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1F ZINC000873223047 634290867 /nfs/dbraw/zinc/29/08/67/634290867.db2.gz HGPKPNGFTAXZHH-KRWDZBQOSA-N 2 1 294.414 3.031 20 0 CGADMP Cn1ccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232661 634294606 /nfs/dbraw/zinc/29/46/06/634294606.db2.gz VCYCHSPVWBGWRM-MAUKXSAKSA-N 2 1 289.467 3.145 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)SC)[C@@H](C)C1 ZINC000876764743 634895845 /nfs/dbraw/zinc/89/58/45/634895845.db2.gz QTIZCCSJRQWYGO-UONOGXRCSA-N 2 1 272.502 3.180 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000876769807 634896697 /nfs/dbraw/zinc/89/66/97/634896697.db2.gz AEPVZUMUSNVHKT-HNNXBMFYSA-N 2 1 284.513 3.326 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876896510 634923541 /nfs/dbraw/zinc/92/35/41/634923541.db2.gz GCZHPRAHXKOXRM-ZDUSSCGKSA-N 2 1 295.858 3.276 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876896510 634923542 /nfs/dbraw/zinc/92/35/42/634923542.db2.gz GCZHPRAHXKOXRM-ZDUSSCGKSA-N 2 1 295.858 3.276 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cnc1Cl ZINC000841039113 635112128 /nfs/dbraw/zinc/11/21/28/635112128.db2.gz ATROHINIDJEDBQ-AWEZNQCLSA-N 2 1 281.831 3.041 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841078078 635118623 /nfs/dbraw/zinc/11/86/23/635118623.db2.gz FKSQHUHYAKTGFT-IUCAKERBSA-N 2 1 278.343 3.124 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCSCc1ccccc1 ZINC000843053251 635549336 /nfs/dbraw/zinc/54/93/36/635549336.db2.gz JQKNGEJWVQUYIL-ALOPSCKCSA-N 2 1 290.476 3.264 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCSCc1ccccc1 ZINC000843053251 635549340 /nfs/dbraw/zinc/54/93/40/635549340.db2.gz JQKNGEJWVQUYIL-ALOPSCKCSA-N 2 1 290.476 3.264 20 0 CGADMP CCC[N@@H+](Cc1cncc2ccccc21)C1CC[NH2+]CC1 ZINC000843045415 635549418 /nfs/dbraw/zinc/54/94/18/635549418.db2.gz XDSMZPPMCGUFPN-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000843062159 635555377 /nfs/dbraw/zinc/55/53/77/635555377.db2.gz MCWGZDSYKKIGOV-CVEARBPZSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000843062159 635555380 /nfs/dbraw/zinc/55/53/80/635555380.db2.gz MCWGZDSYKKIGOV-CVEARBPZSA-N 2 1 280.362 3.101 20 0 CGADMP C[NH2+]CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000843359078 635654030 /nfs/dbraw/zinc/65/40/30/635654030.db2.gz GSDXTYJZDADWJU-GJZGRUSLSA-N 2 1 296.480 3.026 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879573473 635813764 /nfs/dbraw/zinc/81/37/64/635813764.db2.gz OPHCYQFFTPKKQO-PMACEKPBSA-N 2 1 294.442 3.408 20 0 CGADMP CCc1cnc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000879704307 635838985 /nfs/dbraw/zinc/83/89/85/635838985.db2.gz OEEFYJSUBABXMH-UHFFFAOYSA-N 2 1 293.455 3.037 20 0 CGADMP CC1([NH+]2CCCCC2)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000879949416 635885773 /nfs/dbraw/zinc/88/57/73/635885773.db2.gz VGRMXVVVFIGIRQ-INIZCTEOSA-N 2 1 262.441 3.436 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880258792 635959281 /nfs/dbraw/zinc/95/92/81/635959281.db2.gz JLXOLGNAZLJGLG-UONOGXRCSA-N 2 1 295.377 3.028 20 0 CGADMP C[C@H]1c2sccc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000880377155 635987885 /nfs/dbraw/zinc/98/78/85/635987885.db2.gz PQPISEJTUUXINJ-JSGCOSHPSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2sccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000880377155 635987889 /nfs/dbraw/zinc/98/78/89/635987889.db2.gz PQPISEJTUUXINJ-JSGCOSHPSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2sccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000880377155 635987894 /nfs/dbraw/zinc/98/78/94/635987894.db2.gz PQPISEJTUUXINJ-JSGCOSHPSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2sccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000880377155 635987897 /nfs/dbraw/zinc/98/78/97/635987897.db2.gz PQPISEJTUUXINJ-JSGCOSHPSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2sccc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000880377156 635988148 /nfs/dbraw/zinc/98/81/48/635988148.db2.gz PQPISEJTUUXINJ-OCCSQVGLSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2sccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000880377156 635988151 /nfs/dbraw/zinc/98/81/51/635988151.db2.gz PQPISEJTUUXINJ-OCCSQVGLSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2sccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000880377156 635988157 /nfs/dbraw/zinc/98/81/57/635988157.db2.gz PQPISEJTUUXINJ-OCCSQVGLSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2sccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000880377156 635988160 /nfs/dbraw/zinc/98/81/60/635988160.db2.gz PQPISEJTUUXINJ-OCCSQVGLSA-N 2 1 264.438 3.152 20 0 CGADMP COCC1(C[N@@H+](C)CCCC[NH+]2CCCCC2)CCC1 ZINC000880516988 636013585 /nfs/dbraw/zinc/01/35/85/636013585.db2.gz HFKIBZONUYQQTH-UHFFFAOYSA-N 2 1 282.472 3.001 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217589 636161040 /nfs/dbraw/zinc/16/10/40/636161040.db2.gz FFAJZFWSAZSONX-INIZCTEOSA-N 2 1 260.425 3.303 20 0 CGADMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000846218051 636161047 /nfs/dbraw/zinc/16/10/47/636161047.db2.gz RRQNAMXKYUCZNA-UHFFFAOYSA-N 2 1 264.388 3.309 20 0 CGADMP [NH3+]CCCCCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000846218537 636161077 /nfs/dbraw/zinc/16/10/77/636161077.db2.gz XVKMPFFHTULHIX-HNNXBMFYSA-N 2 1 296.480 3.248 20 0 CGADMP Cc1cc([C@@H]2C[N@H+](CCCCCC[NH3+])CCO2)ccc1F ZINC000846220096 636162380 /nfs/dbraw/zinc/16/23/80/636162380.db2.gz BKZBLARGQULPTJ-KRWDZBQOSA-N 2 1 294.414 3.027 20 0 CGADMP Cc1cc([C@@H]2C[N@@H+](CCCCCC[NH3+])CCO2)ccc1F ZINC000846220096 636162382 /nfs/dbraw/zinc/16/23/82/636162382.db2.gz BKZBLARGQULPTJ-KRWDZBQOSA-N 2 1 294.414 3.027 20 0 CGADMP CCCCCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848532421 636592594 /nfs/dbraw/zinc/59/25/94/636592594.db2.gz HWJWRTTUGQFPSS-QGZVFWFLSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000848912121 636687850 /nfs/dbraw/zinc/68/78/50/636687850.db2.gz BGIHFFWXJOJCNZ-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000848912121 636687852 /nfs/dbraw/zinc/68/78/52/636687852.db2.gz BGIHFFWXJOJCNZ-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000848912121 636687855 /nfs/dbraw/zinc/68/78/55/636687855.db2.gz BGIHFFWXJOJCNZ-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP C[C@H](Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883345459 636690581 /nfs/dbraw/zinc/69/05/81/636690581.db2.gz COOSOKVIVWDFIE-KSSFIOAISA-N 2 1 285.435 3.181 20 0 CGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[N@@H+](C)C(C)C)cc1 ZINC000849000894 636711249 /nfs/dbraw/zinc/71/12/49/636711249.db2.gz BYFFDHHUHOMIDX-AWEZNQCLSA-N 2 1 290.455 3.477 20 0 CGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC2([NH+](C)C)CC2)cc1 ZINC000849043842 636729092 /nfs/dbraw/zinc/72/90/92/636729092.db2.gz WVPBIJKCEADVSY-CYBMUJFWSA-N 2 1 288.439 3.231 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424241 636751915 /nfs/dbraw/zinc/75/19/15/636751915.db2.gz LOWZWFGFJKBOFL-HABKJSAYSA-N 2 1 272.383 3.027 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000883430243 636754040 /nfs/dbraw/zinc/75/40/40/636754040.db2.gz QESPTXKEDRAOOP-KFWWJZLASA-N 2 1 286.410 3.276 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)[C@@H]1CC[NH3+] ZINC000883434850 636754877 /nfs/dbraw/zinc/75/48/77/636754877.db2.gz CKNUIOBHYSDEQI-HZSPNIEDSA-N 2 1 274.399 3.261 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CC[C@@H]1CCCC1(F)F)CC[NH2+]CC2 ZINC000883434550 636755570 /nfs/dbraw/zinc/75/55/70/636755570.db2.gz UTZRPYGGTGNXDP-KGLIPLIRSA-N 2 1 286.410 3.276 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439372 636756429 /nfs/dbraw/zinc/75/64/29/636756429.db2.gz PUYZQVCBMWVXSL-DOTOQJQBSA-N 2 1 294.483 3.175 20 0 CGADMP C1=C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000850359976 637027999 /nfs/dbraw/zinc/02/79/99/637027999.db2.gz XVXKCUYWKVJXLL-QZTJIDSGSA-N 2 1 282.431 3.492 20 0 CGADMP C1=C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000850359976 637028003 /nfs/dbraw/zinc/02/80/03/637028003.db2.gz XVXKCUYWKVJXLL-QZTJIDSGSA-N 2 1 282.431 3.492 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850424353 637057013 /nfs/dbraw/zinc/05/70/13/637057013.db2.gz JFOUERRDDYFQCH-LSDHHAIUSA-N 2 1 288.435 3.004 20 0 CGADMP Fc1cccc(/C=C\C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000885924081 637314719 /nfs/dbraw/zinc/31/47/19/637314719.db2.gz GVGNYVFUICBTAC-LYYDLTQRSA-N 2 1 274.383 3.055 20 0 CGADMP Fc1cccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000885924081 637314721 /nfs/dbraw/zinc/31/47/21/637314721.db2.gz GVGNYVFUICBTAC-LYYDLTQRSA-N 2 1 274.383 3.055 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC(F)(F)F)C[C@H]1C ZINC000886032677 637374776 /nfs/dbraw/zinc/37/47/76/637374776.db2.gz LLMWPZMHOIMHFP-GHMZBOCLSA-N 2 1 284.391 3.044 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC(F)(F)F)C[C@H]1C ZINC000886032677 637374785 /nfs/dbraw/zinc/37/47/85/637374785.db2.gz LLMWPZMHOIMHFP-GHMZBOCLSA-N 2 1 284.391 3.044 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC(F)(F)F)C[C@H]1C ZINC000886032677 637374791 /nfs/dbraw/zinc/37/47/91/637374791.db2.gz LLMWPZMHOIMHFP-GHMZBOCLSA-N 2 1 284.391 3.044 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886121007 637423010 /nfs/dbraw/zinc/42/30/10/637423010.db2.gz SKXUNJWJOLTPAI-JYJNAYRXSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886121007 637423013 /nfs/dbraw/zinc/42/30/13/637423013.db2.gz SKXUNJWJOLTPAI-JYJNAYRXSA-N 2 1 270.461 3.044 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C/c1cccc(F)c1)C1CC1 ZINC000886138575 637432168 /nfs/dbraw/zinc/43/21/68/637432168.db2.gz NSXZGOAYPUWINE-FNORWQNLSA-N 2 1 276.399 3.303 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886142849 637433476 /nfs/dbraw/zinc/43/34/76/637433476.db2.gz MMHROVCOZDOIHQ-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP c1cc(N2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)CC2)cc[nH+]1 ZINC000886263570 637470811 /nfs/dbraw/zinc/47/08/11/637470811.db2.gz ADWANWLVJLFIAE-AEFFLSMTSA-N 2 1 285.435 3.030 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886611357 637605044 /nfs/dbraw/zinc/60/50/44/637605044.db2.gz ZQAGXADJCKBQRO-HRCADAONSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886611357 637605052 /nfs/dbraw/zinc/60/50/52/637605052.db2.gz ZQAGXADJCKBQRO-HRCADAONSA-N 2 1 270.461 3.044 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3ccccn3)CC2)[nH+]c1C ZINC000886663020 637638878 /nfs/dbraw/zinc/63/88/78/637638878.db2.gz RNGCIQSXMCGLCJ-AWEZNQCLSA-N 2 1 284.407 3.362 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000886719753 637671821 /nfs/dbraw/zinc/67/18/21/637671821.db2.gz GSJWSEAMBIADCU-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccns1 ZINC000924684751 638388430 /nfs/dbraw/zinc/38/84/30/638388430.db2.gz FPBMVCPRMKLBOG-ZIAGYGMSSA-N 2 1 281.469 3.306 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000924683689 638388555 /nfs/dbraw/zinc/38/85/55/638388555.db2.gz HIPKAZGMERCTTG-YYIAUSFCSA-N 2 1 296.499 3.005 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]C[C@@]3([NH+](C)C)CCC[C@@H](C)C3)C2)CO1 ZINC000924737380 638396860 /nfs/dbraw/zinc/39/68/60/638396860.db2.gz GTQXHQRAWZABBX-BNEJOAPWSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ncco2)c1 ZINC000924829587 638410343 /nfs/dbraw/zinc/41/03/43/638410343.db2.gz RARBYAJGJXCMRQ-CQSZACIVSA-N 2 1 287.407 3.366 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925120593 638456962 /nfs/dbraw/zinc/45/69/62/638456962.db2.gz KTFWERLWBFGELR-VQTPCSAVSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925481732 638508601 /nfs/dbraw/zinc/50/86/01/638508601.db2.gz KCHVRPDYVCJOGU-IRXDYDNUSA-N 2 1 270.420 3.320 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925501919 638512882 /nfs/dbraw/zinc/51/28/82/638512882.db2.gz DVJWCJFDPNAWKH-ARLBYUKCSA-N 2 1 278.465 3.339 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccccc1 ZINC000925582353 638537479 /nfs/dbraw/zinc/53/74/79/638537479.db2.gz ZFEMYJDYTSXVRP-BHYGNILZSA-N 2 1 290.451 3.260 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000857782875 638568541 /nfs/dbraw/zinc/56/85/41/638568541.db2.gz IDYDKAHQTHNWCV-UHFFFAOYSA-N 2 1 297.374 3.067 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C12CCC2 ZINC000925731023 638586429 /nfs/dbraw/zinc/58/64/29/638586429.db2.gz RIBZQLFGHCOWHD-ZJUUUORDSA-N 2 1 290.354 3.126 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000925756890 638599317 /nfs/dbraw/zinc/59/93/17/638599317.db2.gz OYECSBPMBBJDHE-HNNXBMFYSA-N 2 1 292.398 3.243 20 0 CGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cscc1Cl ZINC000925772048 638606601 /nfs/dbraw/zinc/60/66/01/638606601.db2.gz PKDPPPXVWOUKTE-SECBINFHSA-N 2 1 295.839 3.414 20 0 CGADMP CC(C)C(C(C)C)[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814632 638621097 /nfs/dbraw/zinc/62/10/97/638621097.db2.gz NQCBRBUNMONXPQ-UONOGXRCSA-N 2 1 263.429 3.104 20 0 CGADMP C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCC1)c1c[nH+]ccc1N ZINC000925830926 638626108 /nfs/dbraw/zinc/62/61/08/638626108.db2.gz IJSYENZRVXRSGN-CYBMUJFWSA-N 2 1 299.393 3.406 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)cc2c1OCC2 ZINC000925890374 638645719 /nfs/dbraw/zinc/64/57/19/638645719.db2.gz OSOSXJZCSHONGW-RISCZKNCSA-N 2 1 294.826 3.068 20 0 CGADMP C[NH+](C)Cc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000858402309 638704700 /nfs/dbraw/zinc/70/47/00/638704700.db2.gz YFWCXGPCAJZTPL-HNNXBMFYSA-N 2 1 293.430 3.172 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926330024 638763516 /nfs/dbraw/zinc/76/35/16/638763516.db2.gz JOLNKSKOWUQOFE-NUJGCVRESA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737914 638805509 /nfs/dbraw/zinc/80/55/09/638805509.db2.gz HNKWCFFTXLWMOW-HDEZJCGLSA-N 2 1 264.457 3.133 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926752568 638806817 /nfs/dbraw/zinc/80/68/17/638806817.db2.gz AUJDALBOXCAJCB-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000926752604 638807047 /nfs/dbraw/zinc/80/70/47/638807047.db2.gz BPWDFIMJCPQYHJ-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000926752604 638807049 /nfs/dbraw/zinc/80/70/49/638807049.db2.gz BPWDFIMJCPQYHJ-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000926903014 638823342 /nfs/dbraw/zinc/82/33/42/638823342.db2.gz CYAQHXXCEKLBDE-DZKIICNBSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000926903014 638823343 /nfs/dbraw/zinc/82/33/43/638823343.db2.gz CYAQHXXCEKLBDE-DZKIICNBSA-N 2 1 276.424 3.137 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CCC2)CC[N@H+]1C ZINC000926923914 638826252 /nfs/dbraw/zinc/82/62/52/638826252.db2.gz TVGDJURUFXDVBZ-PBHICJAKSA-N 2 1 290.426 3.320 20 0 CGADMP Cc1ccnc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859212410 639110963 /nfs/dbraw/zinc/11/09/63/639110963.db2.gz JFCPDTWLXZTLFM-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccccc1OCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350235 639138647 /nfs/dbraw/zinc/13/86/47/639138647.db2.gz FWVPGYSGCIJELK-UHFFFAOYSA-N 2 1 290.451 3.180 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000931350225 639138764 /nfs/dbraw/zinc/13/87/64/639138764.db2.gz WEOJIWZAMYFBFY-UHFFFAOYSA-N 2 1 294.414 3.011 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000932560359 639353909 /nfs/dbraw/zinc/35/39/09/639353909.db2.gz IBSLOSUGZRHOQR-HIFRSBDPSA-N 2 1 264.388 3.269 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934836872 639686094 /nfs/dbraw/zinc/68/60/94/639686094.db2.gz HDYSSZNJBUDVMD-MSOLQXFVSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@H]1CC[C@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251936645 640836041 /nfs/dbraw/zinc/83/60/41/640836041.db2.gz VTAZZRWNGJWPDD-MGLUKCQKSA-N 2 1 250.430 3.028 20 0 CGADMP COc1ccc2cc[nH+]c(N3CCC(C[NH+](C)C)CC3)c2c1 ZINC001165045734 721947489 /nfs/dbraw/zinc/94/74/89/721947489.db2.gz ZBNJERIYHGMSPM-UHFFFAOYSA-N 2 1 299.418 3.021 20 0 CGADMP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c([nH+]1)CCCC2 ZINC001156771728 805732879 /nfs/dbraw/zinc/73/28/79/805732879.db2.gz ZDPUEIVWWPEEPE-UHFFFAOYSA-N 2 1 287.451 3.445 20 0 CGADMP Cc1ccc(C)c(Nc2ccc3c(c2)CC[NH2+]C3)[nH+]1 ZINC001159230541 806063527 /nfs/dbraw/zinc/06/35/27/806063527.db2.gz UIXIIJRYXOMOKD-UHFFFAOYSA-N 2 1 253.349 3.088 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001257358256 807121386 /nfs/dbraw/zinc/12/13/86/807121386.db2.gz YIMKQNHAPJJIKF-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1cc(Nc2cccc(C3CC[NH2+]CC3)c2)c[nH+]c1N ZINC001159765077 806166878 /nfs/dbraw/zinc/16/68/78/806166878.db2.gz SPZKUZOSHWEXND-UHFFFAOYSA-N 2 1 282.391 3.183 20 0 CGADMP [NH3+]Cc1ccccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001159732967 806164005 /nfs/dbraw/zinc/16/40/05/806164005.db2.gz HRGIXLAFYNVLCL-UHFFFAOYSA-N 2 1 293.414 3.347 20 0 CGADMP FC1(F)CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001254213610 806366941 /nfs/dbraw/zinc/36/69/41/806366941.db2.gz IKDDCNCJGIAJOC-HNNXBMFYSA-N 2 1 286.410 3.418 20 0 CGADMP FC1(F)CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001254213610 806366949 /nfs/dbraw/zinc/36/69/49/806366949.db2.gz IKDDCNCJGIAJOC-HNNXBMFYSA-N 2 1 286.410 3.418 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC2(CC2)CC1 ZINC001254432483 806395923 /nfs/dbraw/zinc/39/59/23/806395923.db2.gz LNUCEENIRPUUGV-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC2(CC2)CC1 ZINC001254432483 806395931 /nfs/dbraw/zinc/39/59/31/806395931.db2.gz LNUCEENIRPUUGV-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC2(CC2)CC1 ZINC001254434088 806397518 /nfs/dbraw/zinc/39/75/18/806397518.db2.gz VJXWZKZBPRVTQJ-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@H+]1CCC[C@H](N(CC[NH3+])c2cccc3ccccc32)CC1 ZINC001254498307 806419446 /nfs/dbraw/zinc/41/94/46/806419446.db2.gz VHIGPYVYFPEFMP-KRWDZBQOSA-N 2 1 297.446 3.089 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CC1 ZINC001254499644 806420763 /nfs/dbraw/zinc/42/07/63/806420763.db2.gz LTWVRGPYHQLTHY-MRXNPFEDSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254503297 806423688 /nfs/dbraw/zinc/42/36/88/806423688.db2.gz LULWWLXXRAYFLH-IRXDYDNUSA-N 2 1 290.451 3.145 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)c2ccccc21 ZINC001254505220 806424387 /nfs/dbraw/zinc/42/43/87/806424387.db2.gz CKQRRYGSRJCQID-KEYYUXOJSA-N 2 1 258.409 3.309 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC001254507240 806426726 /nfs/dbraw/zinc/42/67/26/806426726.db2.gz KLWBGIHFQIZMNN-JKSUJKDBSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC001254507239 806428668 /nfs/dbraw/zinc/42/86/68/806428668.db2.gz KLWBGIHFQIZMNN-HZPDHXFCSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cc(F)cc(F)c1 ZINC001254512016 806432839 /nfs/dbraw/zinc/43/28/39/806432839.db2.gz IPPPGSRVCSRWCT-HZPDHXFCSA-N 2 1 282.378 3.490 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CC1 ZINC001254512778 806432955 /nfs/dbraw/zinc/43/29/55/806432955.db2.gz RNYQIRYDLKYFKC-KRWDZBQOSA-N 2 1 292.442 3.468 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522809 806437894 /nfs/dbraw/zinc/43/78/94/806437894.db2.gz JOMKLTCTLFJXJF-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522809 806437899 /nfs/dbraw/zinc/43/78/99/806437899.db2.gz JOMKLTCTLFJXJF-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522809 806437904 /nfs/dbraw/zinc/43/79/04/806437904.db2.gz JOMKLTCTLFJXJF-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522885 806439734 /nfs/dbraw/zinc/43/97/34/806439734.db2.gz KHPVFIZEDIYRDB-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522885 806439736 /nfs/dbraw/zinc/43/97/36/806439736.db2.gz KHPVFIZEDIYRDB-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522885 806439739 /nfs/dbraw/zinc/43/97/39/806439739.db2.gz KHPVFIZEDIYRDB-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)C2CCOCC2)CC1 ZINC001255035048 806531965 /nfs/dbraw/zinc/53/19/65/806531965.db2.gz VQOHPKGBZKETCL-KOMQPUFPSA-N 2 1 280.456 3.070 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CC4CC(C4)C3)CC2)cc1 ZINC001255409006 806635421 /nfs/dbraw/zinc/63/54/21/806635421.db2.gz RXZDNHXRMBVOQO-CTWPCTMYSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC4CC(C4)C3)CC2)cc1 ZINC001255409006 806635427 /nfs/dbraw/zinc/63/54/27/806635427.db2.gz RXZDNHXRMBVOQO-CTWPCTMYSA-N 2 1 284.447 3.383 20 0 CGADMP FC(F)C1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410013 806635451 /nfs/dbraw/zinc/63/54/51/806635451.db2.gz PFXZATRNWOZXFC-MRXNPFEDSA-N 2 1 294.389 3.238 20 0 CGADMP FC(F)C1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410013 806635454 /nfs/dbraw/zinc/63/54/54/806635454.db2.gz PFXZATRNWOZXFC-MRXNPFEDSA-N 2 1 294.389 3.238 20 0 CGADMP CC(C)c1cccc(NCc2ccc3c(c2)CC[NH2+]C3)[nH+]1 ZINC001162807908 806668180 /nfs/dbraw/zinc/66/81/80/806668180.db2.gz UCTWFHYBJKMFQD-UHFFFAOYSA-N 2 1 281.403 3.463 20 0 CGADMP CCN1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000067967034 798911124 /nfs/dbraw/zinc/91/11/24/798911124.db2.gz QDSDQLDJEQWGLG-UHFFFAOYSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1cc(F)cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255667781 806700207 /nfs/dbraw/zinc/70/02/07/806700207.db2.gz SMUJREOPDCOYIP-ALOPSCKCSA-N 2 1 276.399 3.239 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000083453829 798939598 /nfs/dbraw/zinc/93/95/98/798939598.db2.gz VXUIQHKXMUXNEO-UHFFFAOYSA-N 2 1 281.831 3.089 20 0 CGADMP C[NH+](CCOc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255679941 806703401 /nfs/dbraw/zinc/70/34/01/806703401.db2.gz BDTBAUYGVRGMOC-SJPCQFCGSA-N 2 1 288.435 3.013 20 0 CGADMP C[NH+](CCOc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255679941 806703407 /nfs/dbraw/zinc/70/34/07/806703407.db2.gz BDTBAUYGVRGMOC-SJPCQFCGSA-N 2 1 288.435 3.013 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(C)cc2)CC1 ZINC000159257263 799072595 /nfs/dbraw/zinc/07/25/95/799072595.db2.gz BKBHFRVZSUFILW-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP CC1(C)CC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC(C)(C)C1 ZINC000252776991 799167214 /nfs/dbraw/zinc/16/72/14/799167214.db2.gz OPAMUVKFHGRGLU-HOTGVXAUSA-N 2 1 294.483 3.044 20 0 CGADMP CC1(C)CC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC(C)(C)C1 ZINC000252776991 799167219 /nfs/dbraw/zinc/16/72/19/799167219.db2.gz OPAMUVKFHGRGLU-HOTGVXAUSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CSc1ccc(F)cc1 ZINC001255734337 806725999 /nfs/dbraw/zinc/72/59/99/806725999.db2.gz WDTDVYJGHNBSFC-LBPRGKRZSA-N 2 1 293.411 3.101 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CSc2ccc(F)cc2)CC1 ZINC001255734398 806726149 /nfs/dbraw/zinc/72/61/49/806726149.db2.gz WZGZNZHOGRVWLF-ZDUSSCGKSA-N 2 1 296.455 3.380 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000312594570 799228954 /nfs/dbraw/zinc/22/89/54/799228954.db2.gz DGDGHGMGEOAIBS-INIZCTEOSA-N 2 1 268.404 3.401 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC34CC5CC(CC(C5)C3)C4)C[C@@H]12 ZINC000385802177 799429097 /nfs/dbraw/zinc/42/90/97/799429097.db2.gz LUSCHNLWUZZJEB-VJNJTYTQSA-N 2 1 288.479 3.262 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386715729 799439276 /nfs/dbraw/zinc/43/92/76/799439276.db2.gz WQDBQBLBKVWRDM-HRCADAONSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1C ZINC000389169760 799461094 /nfs/dbraw/zinc/46/10/94/799461094.db2.gz HUZXDVPALVRULU-MRXNPFEDSA-N 2 1 260.425 3.173 20 0 CGADMP CC1(C)CC[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398421188 799531202 /nfs/dbraw/zinc/53/12/02/799531202.db2.gz YLTBSBQASVTMKS-WNRNVDISSA-N 2 1 284.447 3.285 20 0 CGADMP CC1(C)CC[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398421188 799531203 /nfs/dbraw/zinc/53/12/03/799531203.db2.gz YLTBSBQASVTMKS-WNRNVDISSA-N 2 1 284.447 3.285 20 0 CGADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000399155298 799535881 /nfs/dbraw/zinc/53/58/81/799535881.db2.gz ZECKXISGYUAZRY-NIOBXDJOSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000401475531 799555865 /nfs/dbraw/zinc/55/58/65/799555865.db2.gz LGLCJHDOXMGOFE-XHSDSOJGSA-N 2 1 252.446 3.134 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccccc1F ZINC001255857823 806772204 /nfs/dbraw/zinc/77/22/04/806772204.db2.gz SSCHWBRDSGDGQG-HNNXBMFYSA-N 2 1 280.431 3.420 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H]1C ZINC000687969381 799743144 /nfs/dbraw/zinc/74/31/44/799743144.db2.gz SSKAPWNLIMAMBJ-NEPJUHHUSA-N 2 1 264.438 3.014 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)[C@@H]1CCC[NH3+] ZINC000693461474 799810955 /nfs/dbraw/zinc/81/09/55/799810955.db2.gz ZONIHQXBHKYVIT-TZMCWYRMSA-N 2 1 281.831 3.074 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879492 806780575 /nfs/dbraw/zinc/78/05/75/806780575.db2.gz GEIYQMJPFPARIX-BHYGNILZSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879492 806780579 /nfs/dbraw/zinc/78/05/79/806780579.db2.gz GEIYQMJPFPARIX-BHYGNILZSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879492 806780593 /nfs/dbraw/zinc/78/05/93/806780593.db2.gz GEIYQMJPFPARIX-BHYGNILZSA-N 2 1 290.426 3.030 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001255940646 806789610 /nfs/dbraw/zinc/78/96/10/806789610.db2.gz FFZRGUUMBCJTQL-LBPRGKRZSA-N 2 1 270.367 3.175 20 0 CGADMP CS[C@H]1CCCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000707311476 799977246 /nfs/dbraw/zinc/97/72/46/799977246.db2.gz WMFAWVNJOPYCOW-INIZCTEOSA-N 2 1 290.476 3.050 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709893490 800021145 /nfs/dbraw/zinc/02/11/45/800021145.db2.gz UOCOKVIZSHNQLA-KRWDZBQOSA-N 2 1 264.457 3.422 20 0 CGADMP C(CC1CCCCC1)C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709904818 800021483 /nfs/dbraw/zinc/02/14/83/800021483.db2.gz OEJMWRMEGSHSPW-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP CC1(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCCCC1 ZINC000709889655 800021689 /nfs/dbraw/zinc/02/16/89/800021689.db2.gz CVPCLKURPHXDSL-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccc(F)cn1)C1CC1 ZINC001255954312 806796751 /nfs/dbraw/zinc/79/67/51/806796751.db2.gz TZMMPVWTGZHONH-SUMWQHHRSA-N 2 1 293.430 3.382 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1coc(-c2cccs2)n1 ZINC000710705660 800039509 /nfs/dbraw/zinc/03/95/09/800039509.db2.gz LXZFLMHHXPQHPQ-UHFFFAOYSA-N 2 1 293.436 3.354 20 0 CGADMP CCOc1cccc(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000710835089 800040964 /nfs/dbraw/zinc/04/09/64/800040964.db2.gz RWQAXLYGSYZZGB-UHFFFAOYSA-N 2 1 264.413 3.036 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(C)cc1 ZINC000711021853 800045945 /nfs/dbraw/zinc/04/59/45/800045945.db2.gz HMWGTZDCWYSBNI-KRWDZBQOSA-N 2 1 260.425 3.349 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001255957607 806798913 /nfs/dbraw/zinc/79/89/13/806798913.db2.gz SQFNYIVTFMRDTR-CHWSQXEVSA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001255957607 806798917 /nfs/dbraw/zinc/79/89/17/806798917.db2.gz SQFNYIVTFMRDTR-CHWSQXEVSA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CC2CCC(CC2)C1 ZINC001255967996 806801617 /nfs/dbraw/zinc/80/16/17/806801617.db2.gz VAKOZAYPLLVJNA-FHERZECASA-N 2 1 252.446 3.229 20 0 CGADMP CC1(C)CC([NH2+]Cc2ccc(Cl)cn2)CC(C)(C)[NH2+]1 ZINC000715724267 800145993 /nfs/dbraw/zinc/14/59/93/800145993.db2.gz IPCUVSAEXBMGSY-UHFFFAOYSA-N 2 1 281.831 3.134 20 0 CGADMP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000718594382 800218809 /nfs/dbraw/zinc/21/88/09/800218809.db2.gz XUSOYOFJECRNQO-QWHCGFSZSA-N 2 1 260.372 3.028 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000718594382 800218811 /nfs/dbraw/zinc/21/88/11/800218811.db2.gz XUSOYOFJECRNQO-QWHCGFSZSA-N 2 1 260.372 3.028 20 0 CGADMP C[N@H+](CCCc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001256076041 806813340 /nfs/dbraw/zinc/81/33/40/806813340.db2.gz AKRSCGYWTKITJZ-UHFFFAOYSA-N 2 1 272.436 3.178 20 0 CGADMP C[N@@H+](CCCc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001256076041 806813346 /nfs/dbraw/zinc/81/33/46/806813346.db2.gz AKRSCGYWTKITJZ-UHFFFAOYSA-N 2 1 272.436 3.178 20 0 CGADMP CCCC[C@@H](CC)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721640358 800299304 /nfs/dbraw/zinc/29/93/04/800299304.db2.gz KEHXXHJOVWCBNI-SJORKVTESA-N 2 1 260.425 3.341 20 0 CGADMP CCCC[C@@H](CC)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721640358 800299307 /nfs/dbraw/zinc/29/93/07/800299307.db2.gz KEHXXHJOVWCBNI-SJORKVTESA-N 2 1 260.425 3.341 20 0 CGADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256113654 806825266 /nfs/dbraw/zinc/82/52/66/806825266.db2.gz SXJULDPDHJGWKL-SZMVWBNQSA-N 2 1 272.436 3.254 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2cc(Cl)ccc2Cl)CC1 ZINC001256195038 806846864 /nfs/dbraw/zinc/84/68/64/806846864.db2.gz WRPZHSUDKOHIRG-UHFFFAOYSA-N 2 1 287.234 3.220 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2F)CC1 ZINC001256199131 806847721 /nfs/dbraw/zinc/84/77/21/806847721.db2.gz JCULYZWVKUMPIC-QGZVFWFLSA-N 2 1 276.399 3.351 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000925761306 800633097 /nfs/dbraw/zinc/63/30/97/800633097.db2.gz ZCPIEMPQEPPHGK-AWEZNQCLSA-N 2 1 292.398 3.025 20 0 CGADMP CN1CCC([N@@H+](Cc2ccccc2)C2CCC2)CC1 ZINC001256210061 806849422 /nfs/dbraw/zinc/84/94/22/806849422.db2.gz ZSDJLZMOSLWRPB-UHFFFAOYSA-N 2 1 258.409 3.135 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1C1CCN(C)CC1 ZINC001256209847 806849787 /nfs/dbraw/zinc/84/97/87/806849787.db2.gz AXYXESYZVAZPKV-KRWDZBQOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521967 806909986 /nfs/dbraw/zinc/90/99/86/806909986.db2.gz GKTMTZUBYMOAKI-XYVMCAHJSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521967 806909990 /nfs/dbraw/zinc/90/99/90/806909990.db2.gz GKTMTZUBYMOAKI-XYVMCAHJSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256573413 806918878 /nfs/dbraw/zinc/91/88/78/806918878.db2.gz ILDFLZGJKJYJBE-OKILXGFUSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CCC[C@](C)(C[NH3+])CC3)c2c1 ZINC001164248065 806922330 /nfs/dbraw/zinc/92/23/30/806922330.db2.gz RCRUJILAHGFJON-SFHVURJKSA-N 2 1 283.419 3.499 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncccc1C ZINC001256614822 806926448 /nfs/dbraw/zinc/92/64/48/806926448.db2.gz JYSJKXKCPZFKLP-UYTSQGDYSA-N 2 1 273.424 3.056 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001256614822 806926451 /nfs/dbraw/zinc/92/64/51/806926451.db2.gz JYSJKXKCPZFKLP-UYTSQGDYSA-N 2 1 273.424 3.056 20 0 CGADMP C[NH2+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001256629714 806931782 /nfs/dbraw/zinc/93/17/82/806931782.db2.gz QJYJVZWOHXIJDS-SJPCQFCGSA-N 2 1 297.446 3.201 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629102 806931798 /nfs/dbraw/zinc/93/17/98/806931798.db2.gz XXNYQGVJQWRSGF-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629102 806931803 /nfs/dbraw/zinc/93/18/03/806931803.db2.gz XXNYQGVJQWRSGF-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629102 806931805 /nfs/dbraw/zinc/93/18/05/806931805.db2.gz XXNYQGVJQWRSGF-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP CCC(CC)[N@@H+](CC)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695889 806950528 /nfs/dbraw/zinc/95/05/28/806950528.db2.gz RGEFQRVBJVDQGI-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1C(C)(C)c1ccnc(Cl)c1 ZINC001164474312 806951614 /nfs/dbraw/zinc/95/16/14/806951614.db2.gz PAGGYWALSCTJRJ-RYUDHWBXSA-N 2 1 281.831 3.029 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1C(C)(C)c1ccnc(Cl)c1 ZINC001164474312 806951616 /nfs/dbraw/zinc/95/16/16/806951616.db2.gz PAGGYWALSCTJRJ-RYUDHWBXSA-N 2 1 281.831 3.029 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccs2)C1 ZINC001116288625 802323379 /nfs/dbraw/zinc/32/33/79/802323379.db2.gz LPFVOPUZRYTJSC-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198808 802537565 /nfs/dbraw/zinc/53/75/65/802537565.db2.gz SROSAGKXRQCWPH-CQSZACIVSA-N 2 1 276.399 3.352 20 0 CGADMP CC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001119700190 802693246 /nfs/dbraw/zinc/69/32/46/802693246.db2.gz DBJFUEALGCXRGO-RDJZCZTQSA-N 2 1 270.420 3.497 20 0 CGADMP CC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001119700190 802693251 /nfs/dbraw/zinc/69/32/51/802693251.db2.gz DBJFUEALGCXRGO-RDJZCZTQSA-N 2 1 270.420 3.497 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)o3)C[C@@H]2C1 ZINC001119988141 802720615 /nfs/dbraw/zinc/72/06/15/802720615.db2.gz FUBNPOGDZKLQMR-RWMBFGLXSA-N 2 1 282.815 3.095 20 0 CGADMP C[C@H](C[NH2+]CCCC(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC001120020222 802725529 /nfs/dbraw/zinc/72/55/29/802725529.db2.gz LDEYFINMJOBEGT-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@H](C[NH2+]CCCC(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC001120020222 802725534 /nfs/dbraw/zinc/72/55/34/802725534.db2.gz LDEYFINMJOBEGT-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001120030686 802727363 /nfs/dbraw/zinc/72/73/63/802727363.db2.gz HBCUASLDTMQCBF-WFDRTZIDSA-N 2 1 282.497 3.266 20 0 CGADMP c1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc2c1CCC2 ZINC001120072476 802732922 /nfs/dbraw/zinc/73/29/22/802732922.db2.gz LHAYOFXQHOKGPD-UHFFFAOYSA-N 2 1 284.447 3.282 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001120072541 802733080 /nfs/dbraw/zinc/73/30/80/802733080.db2.gz WSJWPJBCWSNJCT-YQQAZPJKSA-N 2 1 290.426 3.296 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900500 807001579 /nfs/dbraw/zinc/00/15/79/807001579.db2.gz NQOVSVPDBQCIMX-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900500 807001586 /nfs/dbraw/zinc/00/15/86/807001586.db2.gz NQOVSVPDBQCIMX-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C(C)(C)C ZINC001256897232 807001736 /nfs/dbraw/zinc/00/17/36/807001736.db2.gz HJXCFDIMFISOKH-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C(C)(C)C ZINC001256897232 807001743 /nfs/dbraw/zinc/00/17/43/807001743.db2.gz HJXCFDIMFISOKH-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP [NH3+]Cc1cnc2c(ccn2[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256900310 807002884 /nfs/dbraw/zinc/00/28/84/807002884.db2.gz LWMQKJIUHUFDOH-QGZVFWFLSA-N 2 1 298.434 3.075 20 0 CGADMP CC[NH+](CC)CCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898059 807003027 /nfs/dbraw/zinc/00/30/27/807003027.db2.gz JKHHLVZRVNPMJS-KRWDZBQOSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898059 807003033 /nfs/dbraw/zinc/00/30/33/807003033.db2.gz JKHHLVZRVNPMJS-KRWDZBQOSA-N 3 1 295.515 3.105 20 0 CGADMP C[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC1(F)F ZINC001208184711 813735708 /nfs/dbraw/zinc/73/57/08/813735708.db2.gz OMJBVQFNORFCIB-ZDUSSCGKSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCCC[C@@](C)(F)C2)CCCC1 ZINC001208184804 813736143 /nfs/dbraw/zinc/73/61/43/813736143.db2.gz PTOQGYQZXQSLSK-OAHLLOKOSA-N 2 1 270.436 3.323 20 0 CGADMP CC(C)n1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001137077892 803679995 /nfs/dbraw/zinc/67/99/95/803679995.db2.gz NWKPNUNACNBEQP-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CC(C)C)cc1 ZINC001138543068 803963809 /nfs/dbraw/zinc/96/38/09/803963809.db2.gz JDUGQVPZGQDBEX-UHFFFAOYSA-N 2 1 257.381 3.269 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CC(C)C)cc1 ZINC001138543068 803963811 /nfs/dbraw/zinc/96/38/11/803963811.db2.gz JDUGQVPZGQDBEX-UHFFFAOYSA-N 2 1 257.381 3.269 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001138543834 803964596 /nfs/dbraw/zinc/96/45/96/803964596.db2.gz WHJLJUZFFPUPLG-UHFFFAOYSA-N 2 1 255.365 3.167 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772358 804035302 /nfs/dbraw/zinc/03/53/02/804035302.db2.gz HGBIPDWTIXBJIO-JKSUJKDBSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+](C)C1CCN(C)CC1 ZINC001139005969 804107011 /nfs/dbraw/zinc/10/70/11/804107011.db2.gz MFMLSYLTAUAYCS-UHFFFAOYSA-N 2 1 296.842 3.265 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246098139 804130270 /nfs/dbraw/zinc/13/02/70/804130270.db2.gz PHZOHSUTACKZJA-NJAFHUGGSA-N 2 1 274.452 3.231 20 0 CGADMP F[C@@]1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCCC[NH2+]C1 ZINC001246112041 804142908 /nfs/dbraw/zinc/14/29/08/804142908.db2.gz KBVHEYVJAQLZLH-SQNIBIBYSA-N 2 1 290.426 3.394 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C[NH2+]1 ZINC001246121931 804153213 /nfs/dbraw/zinc/15/32/13/804153213.db2.gz CNJILAQOVDWSQM-DZGCQCFKSA-N 2 1 250.430 3.220 20 0 CGADMP CCCCCC[C@@H](CCCC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246136643 804160793 /nfs/dbraw/zinc/16/07/93/804160793.db2.gz UXVSTZVWMIPIHX-XHSDSOJGSA-N 2 1 252.446 3.467 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159931 804176118 /nfs/dbraw/zinc/17/61/18/804176118.db2.gz LPRIHQYIEORHHC-BRSBDYLESA-N 2 1 296.499 3.338 20 0 CGADMP CCC[NH+](CCC)CC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246161024 804177627 /nfs/dbraw/zinc/17/76/27/804177627.db2.gz IGWXIWWYAMFDRT-UHFFFAOYSA-N 3 1 295.515 3.010 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)C[NH2+]1 ZINC001246171376 804185435 /nfs/dbraw/zinc/18/54/35/804185435.db2.gz AMZZKXBUUUVOFB-NVXWUHKLSA-N 2 1 272.436 3.229 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@]2(C)CCC[NH2+]C2)cc1 ZINC001246191663 804200011 /nfs/dbraw/zinc/20/00/11/804200011.db2.gz WWEAKESLSSFXKV-WBVHZDCISA-N 2 1 260.425 3.048 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246235918 804228481 /nfs/dbraw/zinc/22/84/81/804228481.db2.gz TWJLDBZQXQPECI-PQEBFOHHSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCCc2cccc(Cl)c2)C[NH2+]1 ZINC001246258636 804241904 /nfs/dbraw/zinc/24/19/04/804241904.db2.gz LMXJICAFPFSWBN-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246282227 804256699 /nfs/dbraw/zinc/25/66/99/804256699.db2.gz BBCGAGPARZDQBQ-PVXIVEMSSA-N 2 1 282.378 3.392 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@@H]([NH3+])Cc2ccccc2)CC(C)(C)C1 ZINC001246299598 804265966 /nfs/dbraw/zinc/26/59/66/804265966.db2.gz KXGMQFBOOKLWGA-XIRDDKMYSA-N 2 1 274.452 3.361 20 0 CGADMP COc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246316626 804277933 /nfs/dbraw/zinc/27/79/33/804277933.db2.gz ILHMVSTUGSPPNS-HOCLYGCPSA-N 2 1 294.414 3.091 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(O)cc2)CC[NH2+]1 ZINC001246325143 804282484 /nfs/dbraw/zinc/28/24/84/804282484.db2.gz ILTLYDDSMNRXTK-BJZITVGISA-N 2 1 296.414 3.212 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246325429 804282711 /nfs/dbraw/zinc/28/27/11/804282711.db2.gz KKSOAQSSMNXYFD-DKIMLUQUSA-N 2 1 272.436 3.300 20 0 CGADMP CCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246341254 804293015 /nfs/dbraw/zinc/29/30/15/804293015.db2.gz OCRBKVAYJWBAMF-XQQFMLRXSA-N 2 1 280.378 3.475 20 0 CGADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246342867 804293831 /nfs/dbraw/zinc/29/38/31/804293831.db2.gz TTYJISDKSHKLDJ-RWMBFGLXSA-N 2 1 280.378 3.475 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]C(C)(C)c2ccccc2F)CC[NH2+]1 ZINC001246349698 804298325 /nfs/dbraw/zinc/29/83/25/804298325.db2.gz NRHJCPKDXMSFKG-XJKSGUPXSA-N 2 1 278.415 3.427 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246349794 804298878 /nfs/dbraw/zinc/29/88/78/804298878.db2.gz CJFFUEHUELMXRD-INIZCTEOSA-N 2 1 260.425 3.259 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2F)C[NH2+]1 ZINC001246429999 804330781 /nfs/dbraw/zinc/33/07/81/804330781.db2.gz CUWSECAIXRHFIS-ZFWWWQNUSA-N 2 1 278.415 3.125 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246455796 804337938 /nfs/dbraw/zinc/33/79/38/804337938.db2.gz JUPPBVNRMKMHSH-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246457845 804339166 /nfs/dbraw/zinc/33/91/66/804339166.db2.gz VQBINXFEMUDJEV-SWLSCSKDSA-N 2 1 282.428 3.038 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CC1CCC1 ZINC001140028196 804354807 /nfs/dbraw/zinc/35/48/07/804354807.db2.gz NLFTUZFRNYTXRF-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CC1CCC1 ZINC001140028196 804354816 /nfs/dbraw/zinc/35/48/16/804354816.db2.gz NLFTUZFRNYTXRF-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(Cl)c1 ZINC001246489271 804358002 /nfs/dbraw/zinc/35/80/02/804358002.db2.gz MXDHVLGMTRFCCS-NXEZZACHSA-N 2 1 258.768 3.128 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246493239 804359746 /nfs/dbraw/zinc/35/97/46/804359746.db2.gz XVTJBOFJCXUNTR-MJBXVCDLSA-N 2 1 276.415 3.426 20 0 CGADMP COc1c(Cl)cccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001140067025 804367911 /nfs/dbraw/zinc/36/79/11/804367911.db2.gz BZVGYHDRTQMDEG-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)CCc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246519435 804374315 /nfs/dbraw/zinc/37/43/15/804374315.db2.gz OAPYRJMFMRQGPG-IAGOWNOFSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246521290 804375548 /nfs/dbraw/zinc/37/55/48/804375548.db2.gz YQXWCHWTQQYGMX-QKPAOTATSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC001246521224 804376930 /nfs/dbraw/zinc/37/69/30/804376930.db2.gz YHPCYWDSSFZIPR-INIZCTEOSA-N 2 1 260.425 3.429 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246530362 804380803 /nfs/dbraw/zinc/38/08/03/804380803.db2.gz LNOJERRDRLYFDM-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246530358 804381153 /nfs/dbraw/zinc/38/11/53/804381153.db2.gz LNOJERRDRLYFDM-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246539243 804388330 /nfs/dbraw/zinc/38/83/30/804388330.db2.gz GAZHWWDNUGDXMI-RWMBFGLXSA-N 2 1 298.883 3.347 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246542560 804391090 /nfs/dbraw/zinc/39/10/90/804391090.db2.gz QNDQAAMJWCPPQM-GXTWGEPZSA-N 2 1 266.816 3.084 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543398 804391198 /nfs/dbraw/zinc/39/11/98/804391198.db2.gz MZLMBECUEOSKCF-IAGOWNOFSA-N 2 1 284.488 3.301 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246547396 804396714 /nfs/dbraw/zinc/39/67/14/804396714.db2.gz IAHXSUFIROAOEP-BBRMVZONSA-N 2 1 298.833 3.424 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](C(C)C)C1)CC2 ZINC001246551292 804400535 /nfs/dbraw/zinc/40/05/35/804400535.db2.gz XSKUNAJFSHWFLE-ZWKOTPCHSA-N 2 1 272.436 3.130 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C1 ZINC001246550033 804400691 /nfs/dbraw/zinc/40/06/91/804400691.db2.gz LINKLFMMJAGOFA-XHSDSOJGSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246554526 804404374 /nfs/dbraw/zinc/40/43/74/804404374.db2.gz VZJGPHFCKHJTGC-MCIONIFRSA-N 2 1 296.455 3.223 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246558121 804405911 /nfs/dbraw/zinc/40/59/11/804405911.db2.gz OUDAWLXSNAOQLN-CVEARBPZSA-N 2 1 296.405 3.314 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001246557241 804406340 /nfs/dbraw/zinc/40/63/40/804406340.db2.gz GSDMGZRPXVYJJN-HUUCEWRRSA-N 2 1 278.465 3.289 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001246557241 804406346 /nfs/dbraw/zinc/40/63/46/804406346.db2.gz GSDMGZRPXVYJJN-HUUCEWRRSA-N 2 1 278.465 3.289 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246559617 804407461 /nfs/dbraw/zinc/40/74/61/804407461.db2.gz SJOPIYQEUWKIIN-MELADBBJSA-N 2 1 276.415 3.363 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1)CC2 ZINC001246561769 804410560 /nfs/dbraw/zinc/41/05/60/804410560.db2.gz LLSBRSYBLWNBSR-HHXXYDBFSA-N 2 1 286.463 3.159 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1)CC2 ZINC001246562675 804412452 /nfs/dbraw/zinc/41/24/52/804412452.db2.gz VZPYCRVIRDMMDS-KVSKMBFKSA-N 2 1 286.463 3.159 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246569719 804417213 /nfs/dbraw/zinc/41/72/13/804417213.db2.gz SGJNCLCITPCOFA-IJEWVQPXSA-N 2 1 278.415 3.064 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC001246573765 804420553 /nfs/dbraw/zinc/42/05/53/804420553.db2.gz MEFFIAOGBFLVTF-DGADGQDISA-N 2 1 250.430 3.028 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1(C)C ZINC001246573055 804420959 /nfs/dbraw/zinc/42/09/59/804420959.db2.gz FCQHARTVIOEUGD-SFHVURJKSA-N 3 1 295.515 3.089 20 0 CGADMP CCCCC[C@H](CC)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246574198 804421203 /nfs/dbraw/zinc/42/12/03/804421203.db2.gz FHEFEFRNUYWZLV-GJZGRUSLSA-N 2 1 258.425 3.498 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246574198 804421207 /nfs/dbraw/zinc/42/12/07/804421207.db2.gz FHEFEFRNUYWZLV-GJZGRUSLSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246577289 804422888 /nfs/dbraw/zinc/42/28/88/804422888.db2.gz NXZCUPJKMZAULM-RHSMWYFYSA-N 2 1 278.415 3.208 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246575891 804423038 /nfs/dbraw/zinc/42/30/38/804423038.db2.gz XYUNOJMVTZRJFA-BZZMCLGOSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246575891 804423039 /nfs/dbraw/zinc/42/30/39/804423039.db2.gz XYUNOJMVTZRJFA-BZZMCLGOSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246578954 804424514 /nfs/dbraw/zinc/42/45/14/804424514.db2.gz DDFUDKOQAAZBEF-QZTJIDSGSA-N 2 1 290.426 3.134 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001246579962 804424672 /nfs/dbraw/zinc/42/46/72/804424672.db2.gz DOQCCFQSEZRVNQ-QAPCUYQASA-N 2 1 274.452 3.241 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246579576 804424770 /nfs/dbraw/zinc/42/47/70/804424770.db2.gz CGCNIZZDTFKIGD-DZGCQCFKSA-N 2 1 292.854 3.258 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582464 804425928 /nfs/dbraw/zinc/42/59/28/804425928.db2.gz MSXCZLUBGCLWKD-DYVFJYSZSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246581523 804426685 /nfs/dbraw/zinc/42/66/85/804426685.db2.gz QJWBSIYNWPQUAA-SJORKVTESA-N 2 1 292.854 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCC3(CC3)CC2)C1 ZINC001246584454 804427555 /nfs/dbraw/zinc/42/75/55/804427555.db2.gz NBEIEDKQFCTOLY-OAHLLOKOSA-N 2 1 250.430 3.160 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001246584461 804427573 /nfs/dbraw/zinc/42/75/73/804427573.db2.gz NBKNISMJIJTGCJ-SJLPKXTDSA-N 2 1 274.452 3.377 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246583853 804427608 /nfs/dbraw/zinc/42/76/08/804427608.db2.gz SFZXFULSYJYJHU-HIFRSBDPSA-N 2 1 280.843 3.332 20 0 CGADMP CC(C)[N@@H+](C1CCC(C)CC1)[C@H]1CCC[NH2+]CC1 ZINC001246592575 804433702 /nfs/dbraw/zinc/43/37/02/804433702.db2.gz KOBUNZUGBASNOB-PCKAHOCUSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)COCC[C@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246594296 804434604 /nfs/dbraw/zinc/43/46/04/804434604.db2.gz PUUIJEGDYCPDHQ-IRXDYDNUSA-N 2 1 284.488 3.290 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001246594015 804434754 /nfs/dbraw/zinc/43/47/54/804434754.db2.gz UVZFVXKJCRFKIN-RVKKMQEKSA-N 2 1 274.452 3.239 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC001246594161 804435740 /nfs/dbraw/zinc/43/57/40/804435740.db2.gz DNTJSALMBVMFRT-YXJHDRRASA-N 2 1 272.436 3.382 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246593380 804435763 /nfs/dbraw/zinc/43/57/63/804435763.db2.gz MQNMDYDODSFEPZ-XDNAFOTISA-N 3 1 295.515 3.148 20 0 CGADMP CC[C@@H]1C[C@H](N(C(C)C)[C@@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246593380 804435764 /nfs/dbraw/zinc/43/57/64/804435764.db2.gz MQNMDYDODSFEPZ-XDNAFOTISA-N 2 1 295.515 3.148 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246595068 804437305 /nfs/dbraw/zinc/43/73/05/804437305.db2.gz XLFMTEFPKGYKGN-NEXFUWMNSA-N 2 1 256.409 3.107 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246595068 804437309 /nfs/dbraw/zinc/43/73/09/804437309.db2.gz XLFMTEFPKGYKGN-NEXFUWMNSA-N 2 1 256.409 3.107 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246601767 804438516 /nfs/dbraw/zinc/43/85/16/804438516.db2.gz GRFFMJUDYUIXDC-WMZOPIPTSA-N 2 1 272.436 3.002 20 0 CGADMP Clc1cccc(CC2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246601416 804438798 /nfs/dbraw/zinc/43/87/98/804438798.db2.gz VCTRUSLMFKGKRL-KRWDZBQOSA-N 2 1 292.854 3.347 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@@]34CCC[NH2+]CC4)C[C@@H]21 ZINC001246602029 804440252 /nfs/dbraw/zinc/44/02/52/804440252.db2.gz BNKXWHJTOTXGGC-JYYAWHABSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C[C@@H]1C ZINC001246608202 804443519 /nfs/dbraw/zinc/44/35/19/804443519.db2.gz IIFIPXMABORXHV-UGUYLWEFSA-N 2 1 250.430 3.029 20 0 CGADMP C1CCC2(C1)CCC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246611383 804444820 /nfs/dbraw/zinc/44/48/20/804444820.db2.gz GDHSLNIEONRSSH-MUJYYYPQSA-N 2 1 262.441 3.316 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614630 804448670 /nfs/dbraw/zinc/44/86/70/804448670.db2.gz OHVWTTJLPBDMIU-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246614987 804449193 /nfs/dbraw/zinc/44/91/93/804449193.db2.gz QJTGDOBAYJVSJT-RBUKOAKNSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C1CCC([N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001246615714 804450436 /nfs/dbraw/zinc/45/04/36/804450436.db2.gz UKXHOOCZWHYMQM-GPANFISMSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001246615714 804450438 /nfs/dbraw/zinc/45/04/38/804450438.db2.gz UKXHOOCZWHYMQM-GPANFISMSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC[C@@H](CCCC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246616653 804451379 /nfs/dbraw/zinc/45/13/79/804451379.db2.gz ZLWKTCOQDIXXFF-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP CCCC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246617916 804451792 /nfs/dbraw/zinc/45/17/92/804451792.db2.gz DTOYDADNKDHXGK-RDJZCZTQSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)C[C@@H](C)C1 ZINC001246618295 804452433 /nfs/dbraw/zinc/45/24/33/804452433.db2.gz JSLJFMUXBMDNBS-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@@H](C)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246617913 804452634 /nfs/dbraw/zinc/45/26/34/804452634.db2.gz DTOYDADNKDHXGK-NVXWUHKLSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246618605 804453161 /nfs/dbraw/zinc/45/31/61/804453161.db2.gz HVAVPGTZIXEINE-BFQNTYOBSA-N 2 1 296.817 3.094 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246618605 804453165 /nfs/dbraw/zinc/45/31/65/804453165.db2.gz HVAVPGTZIXEINE-BFQNTYOBSA-N 2 1 296.817 3.094 20 0 CGADMP CC[N@@H+](Cc1cc(F)cc(Cl)c1)C1CCN(C)CC1 ZINC001140538276 804454824 /nfs/dbraw/zinc/45/48/24/804454824.db2.gz MFAZTVAIQMNWRN-UHFFFAOYSA-N 2 1 284.806 3.395 20 0 CGADMP CCN(Cc1cc(F)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001140538276 804454828 /nfs/dbraw/zinc/45/48/28/804454828.db2.gz MFAZTVAIQMNWRN-UHFFFAOYSA-N 2 1 284.806 3.395 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246623350 804454895 /nfs/dbraw/zinc/45/48/95/804454895.db2.gz PVMMUYGHQYDIKK-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246623350 804454898 /nfs/dbraw/zinc/45/48/98/804454898.db2.gz PVMMUYGHQYDIKK-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246624200 804456646 /nfs/dbraw/zinc/45/66/46/804456646.db2.gz COGIQNNSERCVTR-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246627192 804459171 /nfs/dbraw/zinc/45/91/71/804459171.db2.gz ZLWOJJJBLNTEIC-SJORKVTESA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629196 804460186 /nfs/dbraw/zinc/46/01/86/804460186.db2.gz YGYYBACHQSQONF-FXUDXRNXSA-N 2 1 252.446 3.131 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632204 804461949 /nfs/dbraw/zinc/46/19/49/804461949.db2.gz UYLGOAUAKZLBHY-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C[C@H]1C ZINC001246641844 804468701 /nfs/dbraw/zinc/46/87/01/804468701.db2.gz GMAIXQAZBVHZOS-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001140592625 804470110 /nfs/dbraw/zinc/47/01/10/804470110.db2.gz UGVDKHMBUXNJDT-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644967 804472570 /nfs/dbraw/zinc/47/25/70/804472570.db2.gz SJFSFFGUYNEKMT-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644967 804472573 /nfs/dbraw/zinc/47/25/73/804472573.db2.gz SJFSFFGUYNEKMT-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@]13CC[NH2+]C3)CC2 ZINC001246645864 804473686 /nfs/dbraw/zinc/47/36/86/804473686.db2.gz WYLUFDXFNGXLPI-RBUKOAKNSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@]13CC[NH2+]C3)CC2 ZINC001246645864 804473689 /nfs/dbraw/zinc/47/36/89/804473689.db2.gz WYLUFDXFNGXLPI-RBUKOAKNSA-N 2 1 284.447 3.070 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246646213 804473986 /nfs/dbraw/zinc/47/39/86/804473986.db2.gz PAQXGGRNCBVCKO-KRWDZBQOSA-N 2 1 272.436 3.226 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246647920 804475592 /nfs/dbraw/zinc/47/55/92/804475592.db2.gz VPQXHEUBFKUOGT-CQSZACIVSA-N 2 1 292.854 3.489 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647664 804475995 /nfs/dbraw/zinc/47/59/95/804475995.db2.gz MIKDJHAHRIFYKY-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246649078 804476836 /nfs/dbraw/zinc/47/68/36/804476836.db2.gz OXXBWCFKQIGOMI-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246649440 804476902 /nfs/dbraw/zinc/47/69/02/804476902.db2.gz PJWCOONLPDCPLG-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246649440 804476905 /nfs/dbraw/zinc/47/69/05/804476905.db2.gz PJWCOONLPDCPLG-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@]23CCC[NH2+]C3)C1 ZINC001246654187 804481001 /nfs/dbraw/zinc/48/10/01/804481001.db2.gz VNXMPKVBHNJTNV-OAGGEKHMSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661406 804484434 /nfs/dbraw/zinc/48/44/34/804484434.db2.gz WVDJCPVWBIECKP-JONQDZQNSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661406 804484438 /nfs/dbraw/zinc/48/44/38/804484438.db2.gz WVDJCPVWBIECKP-JONQDZQNSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246663287 804485225 /nfs/dbraw/zinc/48/52/25/804485225.db2.gz JBPMQCWDUOXKLT-ZJIFWQFVSA-N 2 1 252.446 3.260 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246665483 804487002 /nfs/dbraw/zinc/48/70/02/804487002.db2.gz HPYFUDAQGVJPMC-WBFXSEPVSA-N 2 1 298.474 3.329 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246665483 804487005 /nfs/dbraw/zinc/48/70/05/804487005.db2.gz HPYFUDAQGVJPMC-WBFXSEPVSA-N 2 1 298.474 3.329 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246669968 804487956 /nfs/dbraw/zinc/48/79/56/804487956.db2.gz AVZWARCFXINJRD-NSISKUIASA-N 2 1 298.474 3.428 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246676295 804492000 /nfs/dbraw/zinc/49/20/00/804492000.db2.gz ZAAPOKMMEJYZER-QXAKKESOSA-N 2 1 286.463 3.428 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246677112 804492041 /nfs/dbraw/zinc/49/20/41/804492041.db2.gz GSAOUYLORRUSLW-GDBMZVCRSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246677970 804493292 /nfs/dbraw/zinc/49/32/92/804493292.db2.gz BCUJVMVGWWYZLM-ZDUSSCGKSA-N 2 1 280.843 3.202 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC001246684875 804495452 /nfs/dbraw/zinc/49/54/52/804495452.db2.gz XZRILYUIJPVRLY-GJZGRUSLSA-N 2 1 278.465 3.417 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC001246684875 804495456 /nfs/dbraw/zinc/49/54/56/804495456.db2.gz XZRILYUIJPVRLY-GJZGRUSLSA-N 2 1 278.465 3.417 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246687122 804495751 /nfs/dbraw/zinc/49/57/51/804495751.db2.gz VGTDSRQOEZZQPA-NNPSNHGLSA-N 2 1 294.483 3.044 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246689366 804497522 /nfs/dbraw/zinc/49/75/22/804497522.db2.gz JIWSQVDRWORHBQ-JYJNAYRXSA-N 2 1 270.436 3.369 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246768931 804502270 /nfs/dbraw/zinc/50/22/70/804502270.db2.gz HBKVZJBAOXFTNB-QZTJIDSGSA-N 2 1 272.436 3.349 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246770710 804502684 /nfs/dbraw/zinc/50/26/84/804502684.db2.gz RKTKSICMDNQDHE-SJORKVTESA-N 2 1 260.425 3.203 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246770310 804502714 /nfs/dbraw/zinc/50/27/14/804502714.db2.gz QAOQKQOAIMQQFT-IRXDYDNUSA-N 2 1 260.425 3.203 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246779660 804507975 /nfs/dbraw/zinc/50/79/75/804507975.db2.gz IIBUXCQPVHAWRU-ZWKOTPCHSA-N 2 1 274.452 3.315 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246782762 804509629 /nfs/dbraw/zinc/50/96/29/804509629.db2.gz URDHQRQSRIQNPE-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246782762 804509635 /nfs/dbraw/zinc/50/96/35/804509635.db2.gz URDHQRQSRIQNPE-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP CC1(C)CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246784386 804510357 /nfs/dbraw/zinc/51/03/57/804510357.db2.gz WLHFBHHSYJRSEG-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP COCC[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246785186 804511310 /nfs/dbraw/zinc/51/13/10/804511310.db2.gz JSXJZDVCNQGECO-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246790446 804512869 /nfs/dbraw/zinc/51/28/69/804512869.db2.gz FZKGWNFQCNDKPK-ROUUACIJSA-N 2 1 284.447 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246791850 804515554 /nfs/dbraw/zinc/51/55/54/804515554.db2.gz MUFXNWDEBBQAQG-MVJTYMMSSA-N 2 1 272.436 3.080 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001246793208 804517475 /nfs/dbraw/zinc/51/74/75/804517475.db2.gz UAXHGKBQGQFUIK-WWDZGPRUSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246794507 804518109 /nfs/dbraw/zinc/51/81/09/804518109.db2.gz FQDLVYROAONAPO-HNNXBMFYSA-N 2 1 252.446 3.443 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001246796136 804519107 /nfs/dbraw/zinc/51/91/07/804519107.db2.gz LLAKCLSMPGLDQP-SFHVURJKSA-N 2 1 290.426 3.005 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246797370 804519807 /nfs/dbraw/zinc/51/98/07/804519807.db2.gz OJECKDKDDJNZKA-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246795919 804520209 /nfs/dbraw/zinc/52/02/09/804520209.db2.gz JYQCBPGMFYETEH-CYBMUJFWSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246801935 804522762 /nfs/dbraw/zinc/52/27/62/804522762.db2.gz URRJRZHLGYQOTQ-IXDOHACOSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC001246810103 804527051 /nfs/dbraw/zinc/52/70/51/804527051.db2.gz MOOYGQSSKJHJHS-RDBSUJKOSA-N 2 1 278.827 3.270 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001246813324 804529931 /nfs/dbraw/zinc/52/99/31/804529931.db2.gz IECIPYHJLPVUMK-CABCVRRESA-N 2 1 278.465 3.017 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC001246814688 804530390 /nfs/dbraw/zinc/53/03/90/804530390.db2.gz RFKFWDPIIKMYIV-BCDXTJNWSA-N 2 1 272.436 3.142 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(F)cc2)CC[NH2+]1 ZINC001246820490 804534983 /nfs/dbraw/zinc/53/49/83/804534983.db2.gz GNJJAHYACQWXSX-DLBZAZTESA-N 2 1 278.415 3.077 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC001246821815 804535373 /nfs/dbraw/zinc/53/53/73/804535373.db2.gz JHOHOIGZYBAYGT-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC001246821815 804535378 /nfs/dbraw/zinc/53/53/78/804535378.db2.gz JHOHOIGZYBAYGT-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246827715 804539504 /nfs/dbraw/zinc/53/95/04/804539504.db2.gz OFKGLTFEEDUSGV-KSSFIOAISA-N 2 1 290.426 3.221 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1C[C@@H]3CCC[C@@H](C3)C1)C2 ZINC001246835768 804545073 /nfs/dbraw/zinc/54/50/73/804545073.db2.gz UEGXWPWPECWTQI-YYIAUSFCSA-N 2 1 262.441 3.031 20 0 CGADMP CCC1CCC([N@@H+](CCCOC)C2CC[NH2+]CC2)CC1 ZINC001246837076 804546663 /nfs/dbraw/zinc/54/66/63/804546663.db2.gz QGIWOVOPQRFGAE-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839634 804547668 /nfs/dbraw/zinc/54/76/68/804547668.db2.gz JPEKXECWDYLCCF-ZOBUZTSGSA-N 2 1 290.451 3.465 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839634 804547672 /nfs/dbraw/zinc/54/76/72/804547672.db2.gz JPEKXECWDYLCCF-ZOBUZTSGSA-N 2 1 290.451 3.465 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246839661 804548231 /nfs/dbraw/zinc/54/82/31/804548231.db2.gz DHFPKRYVUMGJIO-VFFTVRQLSA-N 2 1 296.817 3.079 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246843563 804551621 /nfs/dbraw/zinc/55/16/21/804551621.db2.gz DKBIZDMKIIYNHS-MUJYYYPQSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246849994 804559796 /nfs/dbraw/zinc/55/97/96/804559796.db2.gz SQEJVWCEHIZFQP-USXIJHARSA-N 2 1 276.399 3.146 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861965 804566657 /nfs/dbraw/zinc/56/66/57/804566657.db2.gz SMTWITPMIFDNMR-TVXGVJEUSA-N 2 1 282.472 3.031 20 0 CGADMP CCCCCC[C@H](CCC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861965 804566661 /nfs/dbraw/zinc/56/66/61/804566661.db2.gz SMTWITPMIFDNMR-TVXGVJEUSA-N 2 1 282.472 3.031 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001246866933 804569038 /nfs/dbraw/zinc/56/90/38/804569038.db2.gz LCZZALPIQPBNCK-UIDBIOKJSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001246866933 804569042 /nfs/dbraw/zinc/56/90/42/804569042.db2.gz LCZZALPIQPBNCK-UIDBIOKJSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246865636 804569480 /nfs/dbraw/zinc/56/94/80/804569480.db2.gz VNIQRLBQJGXXMA-XIRDDKMYSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246867670 804569884 /nfs/dbraw/zinc/56/98/84/804569884.db2.gz IKTQJEUSQRMFKT-RUGDWHBFSA-N 2 1 270.420 3.106 20 0 CGADMP C[N@@H+](CCC1CC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246865736 804570500 /nfs/dbraw/zinc/57/05/00/804570500.db2.gz ZSAMBFKJPNSAET-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1CC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)C1 ZINC001246876781 804574836 /nfs/dbraw/zinc/57/48/36/804574836.db2.gz IECRDYFIVBOUIM-CIWUYKSXSA-N 2 1 298.474 3.284 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001246878602 804576211 /nfs/dbraw/zinc/57/62/11/804576211.db2.gz RUVGZYZPESNACV-LSDHHAIUSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001246878602 804576214 /nfs/dbraw/zinc/57/62/14/804576214.db2.gz RUVGZYZPESNACV-LSDHHAIUSA-N 2 1 278.465 3.159 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC3(CCCCC3)CC2)C[C@@H]1[NH3+] ZINC001246879565 804577080 /nfs/dbraw/zinc/57/70/80/804577080.db2.gz FKTKYBTXLWQZHG-HIFRSBDPSA-N 2 1 250.430 3.159 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246889441 804582678 /nfs/dbraw/zinc/58/26/78/804582678.db2.gz QHNUORHXIJJFNS-FHWLQOOXSA-N 2 1 286.463 3.470 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H](C)CC23CC3)C[C@H](CC)[NH2+]1 ZINC001246894415 804584535 /nfs/dbraw/zinc/58/45/35/804584535.db2.gz NOKJCQWROMHASU-KBXIAJHMSA-N 2 1 250.430 3.170 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246899329 804586358 /nfs/dbraw/zinc/58/63/58/804586358.db2.gz DOBMXPZUAKJMQV-DYVFJYSZSA-N 2 1 269.392 3.057 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246899329 804586360 /nfs/dbraw/zinc/58/63/60/804586360.db2.gz DOBMXPZUAKJMQV-DYVFJYSZSA-N 2 1 269.392 3.057 20 0 CGADMP CCC[N@@H+]([C@H](C)Cc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246900310 804586533 /nfs/dbraw/zinc/58/65/33/804586533.db2.gz USSAILUEJBGLTB-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246899331 804587182 /nfs/dbraw/zinc/58/71/82/804587182.db2.gz DOBMXPZUAKJMQV-SUMWQHHRSA-N 2 1 269.392 3.057 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246899331 804587187 /nfs/dbraw/zinc/58/71/87/804587187.db2.gz DOBMXPZUAKJMQV-SUMWQHHRSA-N 2 1 269.392 3.057 20 0 CGADMP C[N@@H+](CCc1ccccc1F)C1CCC2(CC[NH2+]C2)CC1 ZINC001246908334 804592589 /nfs/dbraw/zinc/59/25/89/804592589.db2.gz AMYBUFNWMGPDPD-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246910306 804593272 /nfs/dbraw/zinc/59/32/72/804593272.db2.gz LUQNQVFWMPDESX-GFCCVEGCSA-N 2 1 298.833 3.484 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](C)CCc2ccccc2F)CC[NH2+]1 ZINC001246909722 804593520 /nfs/dbraw/zinc/59/35/20/804593520.db2.gz HQNOUZQCCNMZRL-NVXWUHKLSA-N 2 1 278.415 3.077 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001246914073 804596731 /nfs/dbraw/zinc/59/67/31/804596731.db2.gz YRSQLGDGZZGQTP-TUVASFSCSA-N 2 1 252.446 3.403 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927836 804605830 /nfs/dbraw/zinc/60/58/30/804605830.db2.gz IKMHTNJDSZZHLB-GVDBMIGSSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927836 804605835 /nfs/dbraw/zinc/60/58/35/804605835.db2.gz IKMHTNJDSZZHLB-GVDBMIGSSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246947818 804614127 /nfs/dbraw/zinc/61/41/27/804614127.db2.gz YPELWQYFGXLXEG-ZDUSSCGKSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246964981 804619499 /nfs/dbraw/zinc/61/94/99/804619499.db2.gz FABLMGZVIGBHPE-SKINQDTJSA-N 2 1 298.474 3.484 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246970394 804622640 /nfs/dbraw/zinc/62/26/40/804622640.db2.gz YRHWRPALZKZJCH-DOMZBBRYSA-N 2 1 298.883 3.491 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(F)cc1 ZINC001246977700 804625782 /nfs/dbraw/zinc/62/57/82/804625782.db2.gz UCFLVYVZBAXRHR-GOEBONIOSA-N 2 1 278.415 3.078 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccccc1F ZINC001246977651 804626263 /nfs/dbraw/zinc/62/62/63/804626263.db2.gz SRVGSQCELNNYHK-CABCVRRESA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246995164 804632974 /nfs/dbraw/zinc/63/29/74/804632974.db2.gz BLULSCISWUJZOB-WDMOLILDSA-N 2 1 286.341 3.058 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246995164 804632977 /nfs/dbraw/zinc/63/29/77/804632977.db2.gz BLULSCISWUJZOB-WDMOLILDSA-N 2 1 286.341 3.058 20 0 CGADMP CCCOc1cc2[nH]c(CCC[NH3+])[nH+]c2cc1OCCC ZINC001247021614 804646245 /nfs/dbraw/zinc/64/62/45/804646245.db2.gz XAWDOHHCCZZQTJ-UHFFFAOYSA-N 2 1 291.395 3.032 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cs1 ZINC001248804577 804998819 /nfs/dbraw/zinc/99/88/19/804998819.db2.gz LWJPRDQUILEUMO-HNNXBMFYSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cs1 ZINC001248804577 804998823 /nfs/dbraw/zinc/99/88/23/804998823.db2.gz LWJPRDQUILEUMO-HNNXBMFYSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1cc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c[nH+]c1N ZINC001249792425 805250011 /nfs/dbraw/zinc/25/00/11/805250011.db2.gz VBAZHSKEMVRGDU-HNNXBMFYSA-N 2 1 298.390 3.101 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154985521 805518070 /nfs/dbraw/zinc/51/80/70/805518070.db2.gz NGKJYNODFQVRSJ-OLZOCXBDSA-N 2 1 255.365 3.225 20 0 CGADMP C[N@@H+](C[C@H]1CC1(C)C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861435 806993690 /nfs/dbraw/zinc/99/36/90/806993690.db2.gz OFWDIZSUQZTPAS-CQSZACIVSA-N 2 1 273.424 3.028 20 0 CGADMP CCC1CCC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC1 ZINC001256869411 806994516 /nfs/dbraw/zinc/99/45/16/806994516.db2.gz HLWYEPNFBKYMGT-UHFFFAOYSA-N 3 1 297.531 3.431 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CCO2 ZINC001257210024 807060924 /nfs/dbraw/zinc/06/09/24/807060924.db2.gz FFJGCDGIMRXUKD-KRWDZBQOSA-N 2 1 288.435 3.281 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001257218645 807064794 /nfs/dbraw/zinc/06/47/94/807064794.db2.gz VHVXVMQZFPFXCO-HNNXBMFYSA-N 2 1 290.426 3.488 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001257218645 807064803 /nfs/dbraw/zinc/06/48/03/807064803.db2.gz VHVXVMQZFPFXCO-HNNXBMFYSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1cc(C)[nH+]c(N2CC3(CC[NH2+]CC3)c3ccccc32)c1 ZINC001167071864 807143120 /nfs/dbraw/zinc/14/31/20/807143120.db2.gz PVCGBHOJLGOFTJ-UHFFFAOYSA-N 2 1 293.414 3.471 20 0 CGADMP CC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001257432005 807153291 /nfs/dbraw/zinc/15/32/91/807153291.db2.gz PQVSPCSSXGVIKC-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001257463253 807169493 /nfs/dbraw/zinc/16/94/93/807169493.db2.gz LANYLVUCEADELY-UONOGXRCSA-N 2 1 251.418 3.386 20 0 CGADMP CCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001257520227 807193345 /nfs/dbraw/zinc/19/33/45/807193345.db2.gz ROKYFIGTVFCPGB-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001257520227 807193348 /nfs/dbraw/zinc/19/33/48/807193348.db2.gz ROKYFIGTVFCPGB-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001257520227 807193350 /nfs/dbraw/zinc/19/33/50/807193350.db2.gz ROKYFIGTVFCPGB-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCCC(CCCCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257550195 807196581 /nfs/dbraw/zinc/19/65/81/807196581.db2.gz MBOCHNCNQUVQOU-OAHLLOKOSA-N 2 1 295.471 3.447 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC001257657808 807205413 /nfs/dbraw/zinc/20/54/13/807205413.db2.gz PUFGARIZKWUSQR-HZPDHXFCSA-N 2 1 278.465 3.165 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1-n1cccc1C[NH3+] ZINC001167596193 807210523 /nfs/dbraw/zinc/21/05/23/807210523.db2.gz VRYJLBZYWLWXIL-UHFFFAOYSA-N 2 1 269.392 3.235 20 0 CGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1[C@H]1CCCSC1 ZINC001257676257 807210993 /nfs/dbraw/zinc/21/09/93/807210993.db2.gz AHTQDUCDBDYBMZ-HOTGVXAUSA-N 2 1 282.497 3.222 20 0 CGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1[C@@H]1CCCSC1 ZINC001257676258 807211221 /nfs/dbraw/zinc/21/12/21/807211221.db2.gz AHTQDUCDBDYBMZ-HZPDHXFCSA-N 2 1 282.497 3.222 20 0 CGADMP CCc1cccc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001167751981 807240395 /nfs/dbraw/zinc/24/03/95/807240395.db2.gz AHXCHCYDAOPUDC-AWEZNQCLSA-N 2 1 261.413 3.320 20 0 CGADMP CCc1cccc(NCCC[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001167751981 807240398 /nfs/dbraw/zinc/24/03/98/807240398.db2.gz AHXCHCYDAOPUDC-AWEZNQCLSA-N 2 1 261.413 3.320 20 0 CGADMP Cc1cc(NCCC[N@H+]2CCCC[C@@H]2C)c2[nH+]ccn2c1 ZINC001167754069 807243663 /nfs/dbraw/zinc/24/36/63/807243663.db2.gz URFWBXCHUPTOPJ-HNNXBMFYSA-N 2 1 286.423 3.319 20 0 CGADMP Cc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)c2[nH+]ccn2c1 ZINC001167754069 807243667 /nfs/dbraw/zinc/24/36/67/807243667.db2.gz URFWBXCHUPTOPJ-HNNXBMFYSA-N 2 1 286.423 3.319 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1C(C)(C)OC ZINC001167827471 807255922 /nfs/dbraw/zinc/25/59/22/807255922.db2.gz WOUICTNIQDWBAA-CVEARBPZSA-N 2 1 284.488 3.386 20 0 CGADMP CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1CCOCC1 ZINC001167842780 807261429 /nfs/dbraw/zinc/26/14/29/807261429.db2.gz YPRTVQNYDYIGLG-MRXNPFEDSA-N 2 1 284.488 3.388 20 0 CGADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917985 807274323 /nfs/dbraw/zinc/27/43/23/807274323.db2.gz QAMCHVKRMSLRFK-YWVIFJGQSA-N 2 1 290.838 3.388 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167940375 807278043 /nfs/dbraw/zinc/27/80/43/807278043.db2.gz XJJHSQWXKWITCP-RZIOSVHNSA-N 2 1 296.458 3.157 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167940375 807278047 /nfs/dbraw/zinc/27/80/47/807278047.db2.gz XJJHSQWXKWITCP-RZIOSVHNSA-N 2 1 296.458 3.157 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167940375 807278053 /nfs/dbraw/zinc/27/80/53/807278053.db2.gz XJJHSQWXKWITCP-RZIOSVHNSA-N 2 1 296.458 3.157 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167940375 807278056 /nfs/dbraw/zinc/27/80/56/807278056.db2.gz XJJHSQWXKWITCP-RZIOSVHNSA-N 2 1 296.458 3.157 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167939805 807278723 /nfs/dbraw/zinc/27/87/23/807278723.db2.gz NHXWNXMTEDWUDL-DZFIZOCASA-N 2 1 284.447 3.381 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258067801 807287352 /nfs/dbraw/zinc/28/73/52/807287352.db2.gz UTXKOQUKZRCFHK-NXOAAHMSSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258067801 807287353 /nfs/dbraw/zinc/28/73/53/807287353.db2.gz UTXKOQUKZRCFHK-NXOAAHMSSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258067801 807287357 /nfs/dbraw/zinc/28/73/57/807287357.db2.gz UTXKOQUKZRCFHK-NXOAAHMSSA-N 2 1 266.473 3.331 20 0 CGADMP F[C@H]1CCCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983819 807289692 /nfs/dbraw/zinc/28/96/92/807289692.db2.gz IPCLOJQLUYBFMO-PMRDEQMMSA-N 2 1 280.431 3.216 20 0 CGADMP F[C@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983819 807289698 /nfs/dbraw/zinc/28/96/98/807289698.db2.gz IPCLOJQLUYBFMO-PMRDEQMMSA-N 2 1 280.431 3.216 20 0 CGADMP F[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983819 807289706 /nfs/dbraw/zinc/28/97/06/807289706.db2.gz IPCLOJQLUYBFMO-PMRDEQMMSA-N 2 1 280.431 3.216 20 0 CGADMP F[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983819 807289712 /nfs/dbraw/zinc/28/97/12/807289712.db2.gz IPCLOJQLUYBFMO-PMRDEQMMSA-N 2 1 280.431 3.216 20 0 CGADMP F[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983819 807289720 /nfs/dbraw/zinc/28/97/20/807289720.db2.gz IPCLOJQLUYBFMO-PMRDEQMMSA-N 2 1 280.431 3.216 20 0 CGADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167981824 807290564 /nfs/dbraw/zinc/29/05/64/807290564.db2.gz LWENDHCZNQMGGW-JTUUTPGSSA-N 2 1 262.441 3.124 20 0 CGADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167981824 807290569 /nfs/dbraw/zinc/29/05/69/807290569.db2.gz LWENDHCZNQMGGW-JTUUTPGSSA-N 2 1 262.441 3.124 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001168189627 807341495 /nfs/dbraw/zinc/34/14/95/807341495.db2.gz UACZASSHUMYRGJ-CYBMUJFWSA-N 2 1 289.810 3.026 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001168189627 807341503 /nfs/dbraw/zinc/34/15/03/807341503.db2.gz UACZASSHUMYRGJ-CYBMUJFWSA-N 2 1 289.810 3.026 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC001168204153 807347666 /nfs/dbraw/zinc/34/76/66/807347666.db2.gz APBBEYPIEFRHEW-NRXISQOPSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC001168204153 807347672 /nfs/dbraw/zinc/34/76/72/807347672.db2.gz APBBEYPIEFRHEW-NRXISQOPSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccco2)CC1 ZINC001258197832 807357930 /nfs/dbraw/zinc/35/79/30/807357930.db2.gz SHWSECRYKDKTSK-HNNXBMFYSA-N 2 1 278.440 3.407 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CCc2ccc(F)cc2)CC1 ZINC001168324378 807383736 /nfs/dbraw/zinc/38/37/36/807383736.db2.gz NCJQAKZUBMZPEA-UHFFFAOYSA-N 2 1 278.415 3.173 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168328809 807386879 /nfs/dbraw/zinc/38/68/79/807386879.db2.gz CWBRHRAXFFYGNG-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP c1ccc2ncc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2c1 ZINC001168353022 807389985 /nfs/dbraw/zinc/38/99/85/807389985.db2.gz HGTLIHSWRPOKDK-UHFFFAOYSA-N 2 1 295.430 3.199 20 0 CGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168353442 807390926 /nfs/dbraw/zinc/39/09/26/807390926.db2.gz OLBKKNJNCFYRDY-UHFFFAOYSA-N 2 1 288.435 3.049 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258323792 807410692 /nfs/dbraw/zinc/41/06/92/807410692.db2.gz IEJMOTIRRPWRLM-RDBSUJKOSA-N 2 1 272.502 3.369 20 0 CGADMP C[C@]1(F)CCCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371479 807396618 /nfs/dbraw/zinc/39/66/18/807396618.db2.gz GNMYISHHNRUICU-INIZCTEOSA-N 2 1 268.420 3.075 20 0 CGADMP C[C@]1(F)CCCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371479 807396623 /nfs/dbraw/zinc/39/66/23/807396623.db2.gz GNMYISHHNRUICU-INIZCTEOSA-N 2 1 268.420 3.075 20 0 CGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168377765 807398382 /nfs/dbraw/zinc/39/83/82/807398382.db2.gz HMECHRRAYZBEEZ-UHFFFAOYSA-N 2 1 288.435 3.001 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168492866 807434573 /nfs/dbraw/zinc/43/45/73/807434573.db2.gz YTTUECMTFUYSRM-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168492866 807434577 /nfs/dbraw/zinc/43/45/77/807434577.db2.gz YTTUECMTFUYSRM-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258453767 807459167 /nfs/dbraw/zinc/45/91/67/807459167.db2.gz VCIOKNCKUVDZLT-XNRPHZJLSA-N 2 1 250.430 3.299 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001258599813 807498288 /nfs/dbraw/zinc/49/82/88/807498288.db2.gz JIBFLYYXIMAKHK-KFWWJZLASA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001169062043 807563820 /nfs/dbraw/zinc/56/38/20/807563820.db2.gz QDHSMXPLDOPWQI-WBVHZDCISA-N 2 1 262.441 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001169079063 807568124 /nfs/dbraw/zinc/56/81/24/807568124.db2.gz IDJMNAPCSFADAA-ZSOGYDGISA-N 2 1 298.352 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001169079063 807568128 /nfs/dbraw/zinc/56/81/28/807568128.db2.gz IDJMNAPCSFADAA-ZSOGYDGISA-N 2 1 298.352 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCc1ccccc1)C2 ZINC001169108507 807578963 /nfs/dbraw/zinc/57/89/63/807578963.db2.gz ABFYSPFTYJYCMZ-NNZMDNLPSA-N 2 1 272.436 3.224 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC001169107461 807579165 /nfs/dbraw/zinc/57/91/65/807579165.db2.gz HHDMTSJTPLGOHH-MHEUCROKSA-N 2 1 292.398 3.110 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])C1CCCCCC1)C2 ZINC001169101670 807579377 /nfs/dbraw/zinc/57/93/77/807579377.db2.gz UXQDXJOOSHJLLE-QKDCVEJESA-N 2 1 263.429 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC13CCC(F)(F)CC3)C2 ZINC001169115018 807580922 /nfs/dbraw/zinc/58/09/22/807580922.db2.gz GUZCAXSAPJXYAL-XJFOESAGSA-N 2 1 284.394 3.169 20 0 CGADMP Cc1cnccc1[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169115499 807581891 /nfs/dbraw/zinc/58/18/91/807581891.db2.gz KDVCTAKOHKMFSE-XLMAVXFVSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1cccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169123628 807584920 /nfs/dbraw/zinc/58/49/20/807584920.db2.gz LKVJHWPYTKRAET-OSYLJGHBSA-N 2 1 270.420 3.199 20 0 CGADMP C[NH2+]Cc1ccc2c(ccn2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169126279 807586027 /nfs/dbraw/zinc/58/60/27/807586027.db2.gz RBCBPIBBNVVPEL-FVQHAEBGSA-N 2 1 283.419 3.158 20 0 CGADMP CCCC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142268 807590693 /nfs/dbraw/zinc/59/06/93/807590693.db2.gz SXKKGNLORQDIRU-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155511 807596048 /nfs/dbraw/zinc/59/60/48/807596048.db2.gz QBJXGBLVDWXKAA-WDNDVIMCSA-N 2 1 264.438 3.195 20 0 CGADMP CC[NH+](Cc1cccs1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155511 807596050 /nfs/dbraw/zinc/59/60/50/807596050.db2.gz QBJXGBLVDWXKAA-WDNDVIMCSA-N 2 1 264.438 3.195 20 0 CGADMP CC[NH+](Cc1cccs1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155511 807596057 /nfs/dbraw/zinc/59/60/57/807596057.db2.gz QBJXGBLVDWXKAA-WDNDVIMCSA-N 2 1 264.438 3.195 20 0 CGADMP CCCN1CCC([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258769911 807603631 /nfs/dbraw/zinc/60/36/31/807603631.db2.gz ABIXFVUCAJIPRJ-QAQDUYKDSA-N 3 1 295.515 3.089 20 0 CGADMP CCC[NH+]1CCC([N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258769911 807603635 /nfs/dbraw/zinc/60/36/35/807603635.db2.gz ABIXFVUCAJIPRJ-QAQDUYKDSA-N 3 1 295.515 3.089 20 0 CGADMP CCC[NH+]1CCC([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258769911 807603639 /nfs/dbraw/zinc/60/36/39/807603639.db2.gz ABIXFVUCAJIPRJ-QAQDUYKDSA-N 3 1 295.515 3.089 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](C)C(F)(F)CC2)CC1 ZINC001258771733 807605447 /nfs/dbraw/zinc/60/54/47/807605447.db2.gz RINZUBKHMDQUJO-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CCCN1CCC([N@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC001258775848 807606990 /nfs/dbraw/zinc/60/69/90/807606990.db2.gz HCXDRHIRKCJIRB-OAHLLOKOSA-N 2 1 272.436 3.308 20 0 CGADMP CCC[NH+]1CCC([N@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC001258775848 807606993 /nfs/dbraw/zinc/60/69/93/807606993.db2.gz HCXDRHIRKCJIRB-OAHLLOKOSA-N 2 1 272.436 3.308 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(C)CCC(F)(F)CC2)CC1 ZINC001169241682 807612799 /nfs/dbraw/zinc/61/27/99/807612799.db2.gz ZDDMBVAGTSYYMC-UHFFFAOYSA-N 2 1 260.372 3.028 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001169255981 807616645 /nfs/dbraw/zinc/61/66/45/807616645.db2.gz XAWDKJAXCUZQJW-CQSZACIVSA-N 2 1 264.438 3.369 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001169255981 807616648 /nfs/dbraw/zinc/61/66/48/807616648.db2.gz XAWDKJAXCUZQJW-CQSZACIVSA-N 2 1 264.438 3.369 20 0 CGADMP COc1ccccc1C[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258893950 807667313 /nfs/dbraw/zinc/66/73/13/807667313.db2.gz BFJIPYRIRHCYGH-AWEZNQCLSA-N 2 1 299.418 3.162 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C1CC(F)(F)C1 ZINC001258907604 807672444 /nfs/dbraw/zinc/67/24/44/807672444.db2.gz LEHKGGQADQQESB-GFCCVEGCSA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001258907167 807672902 /nfs/dbraw/zinc/67/29/02/807672902.db2.gz GUJSMZKCPNAZIV-KBPBESRZSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001258907167 807672905 /nfs/dbraw/zinc/67/29/05/807672905.db2.gz GUJSMZKCPNAZIV-KBPBESRZSA-N 2 1 276.415 3.474 20 0 CGADMP CC(C)(C)c1cc[nH+]c(NCC23CC[NH+](CC2)CC3)c1 ZINC001169801678 807710393 /nfs/dbraw/zinc/71/03/93/807710393.db2.gz GELWHKVZZYYAMG-UHFFFAOYSA-N 2 1 273.424 3.277 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001261566366 807758312 /nfs/dbraw/zinc/75/83/12/807758312.db2.gz CFTPFODHTFJJLI-HUUCEWRRSA-N 2 1 288.439 3.194 20 0 CGADMP C[NH+]1C(C)(C)CC(Nc2cccn3cc[nH+]c23)CC1(C)C ZINC001170451324 807845984 /nfs/dbraw/zinc/84/59/84/807845984.db2.gz SMKIGOADMNWGSK-UHFFFAOYSA-N 2 1 286.423 3.398 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCCC4)C3)C[C@@H]21 ZINC001170731234 807890603 /nfs/dbraw/zinc/89/06/03/807890603.db2.gz OTESKCFNAWGVDL-LUKYLMHMSA-N 2 1 276.468 3.275 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCCC4)C3)C[C@@H]21 ZINC001170731234 807890607 /nfs/dbraw/zinc/89/06/07/807890607.db2.gz OTESKCFNAWGVDL-LUKYLMHMSA-N 2 1 276.468 3.275 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171434271 808054363 /nfs/dbraw/zinc/05/43/63/808054363.db2.gz SKTHKCSXNHMOEA-MRXNPFEDSA-N 2 1 290.426 3.101 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+](C)CCC[NH+]1CCCC1)C2 ZINC001171570206 808099522 /nfs/dbraw/zinc/09/95/22/808099522.db2.gz HPSYFGOAACFDQT-SFHVURJKSA-N 2 1 286.463 3.270 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CCc1ccc(C)cc1 ZINC001171658239 808113842 /nfs/dbraw/zinc/11/38/42/808113842.db2.gz PWWXSPYRHIYTDZ-MRXNPFEDSA-N 2 1 262.441 3.377 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001171659892 808114558 /nfs/dbraw/zinc/11/45/58/808114558.db2.gz GAEHUSZVZIHRCA-AEFFLSMTSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001171959203 808159814 /nfs/dbraw/zinc/15/98/14/808159814.db2.gz SHQGIBDTWMSUSW-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001171959203 808159817 /nfs/dbraw/zinc/15/98/17/808159817.db2.gz SHQGIBDTWMSUSW-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001171959900 808160116 /nfs/dbraw/zinc/16/01/16/808160116.db2.gz JEVICQYFTVJZEN-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001171959900 808160119 /nfs/dbraw/zinc/16/01/19/808160119.db2.gz JEVICQYFTVJZEN-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965470 808161405 /nfs/dbraw/zinc/16/14/05/808161405.db2.gz RAFRDYYSLMUZGZ-VXGBXAGGSA-N 2 1 288.357 3.163 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172099988 808171779 /nfs/dbraw/zinc/17/17/79/808171779.db2.gz OAECTNXDJPCDGC-BCDXTJNWSA-N 2 1 272.436 3.408 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)C2 ZINC001172104885 808174083 /nfs/dbraw/zinc/17/40/83/808174083.db2.gz DXCJVWBMTPKWPL-FLXSYLCISA-N 2 1 270.420 3.147 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)C2 ZINC001172104885 808174086 /nfs/dbraw/zinc/17/40/86/808174086.db2.gz DXCJVWBMTPKWPL-FLXSYLCISA-N 2 1 270.420 3.147 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCc1ccccc1F)C2 ZINC001172104302 808174724 /nfs/dbraw/zinc/17/47/24/808174724.db2.gz CBSCZEOBSRLBSD-OSYLJGHBSA-N 2 1 290.426 3.363 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001172106465 808176387 /nfs/dbraw/zinc/17/63/87/808176387.db2.gz PAYMZQFXAWRSMI-LVQVYYBASA-N 2 1 273.424 3.138 20 0 CGADMP C=Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172105728 808176651 /nfs/dbraw/zinc/17/66/51/808176651.db2.gz JUXZSSFNZQIWGX-NNZMDNLPSA-N 2 1 270.420 3.435 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC13CCC3)C2 ZINC001172109149 808178670 /nfs/dbraw/zinc/17/86/70/808178670.db2.gz BRNKPBCHVKIGDS-FZKCQIBNSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC13CCC3)C2 ZINC001172109149 808178675 /nfs/dbraw/zinc/17/86/75/808178675.db2.gz BRNKPBCHVKIGDS-FZKCQIBNSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCC(C)(C)C1)C2 ZINC001172110586 808178759 /nfs/dbraw/zinc/17/87/59/808178759.db2.gz KSXBBHOVBQWTSZ-YHUYYLMFSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172116059 808179841 /nfs/dbraw/zinc/17/98/41/808179841.db2.gz XMYJTQSIBZBYHS-HCAJQNDMSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172116059 808179843 /nfs/dbraw/zinc/17/98/43/808179843.db2.gz XMYJTQSIBZBYHS-HCAJQNDMSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1noc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc12 ZINC001172114291 808181202 /nfs/dbraw/zinc/18/12/02/808181202.db2.gz NAYMYQSUWSWUNC-PHZGNYQRSA-N 2 1 299.418 3.241 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113563 808181342 /nfs/dbraw/zinc/18/13/42/808181342.db2.gz KIHUQYVPNMEOTE-HUSMAVQQSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113563 808181345 /nfs/dbraw/zinc/18/13/45/808181345.db2.gz KIHUQYVPNMEOTE-HUSMAVQQSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@H](C)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113563 808181347 /nfs/dbraw/zinc/18/13/47/808181347.db2.gz KIHUQYVPNMEOTE-HUSMAVQQSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@H](C)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113563 808181350 /nfs/dbraw/zinc/18/13/50/808181350.db2.gz KIHUQYVPNMEOTE-HUSMAVQQSA-N 2 1 250.430 3.265 20 0 CGADMP Cc1cccc2c1C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172121419 808183133 /nfs/dbraw/zinc/18/31/33/808183133.db2.gz QCAVBXCDMDKYDB-FVQHAEBGSA-N 2 1 270.420 3.326 20 0 CGADMP Cc1cccc2c1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172121419 808183135 /nfs/dbraw/zinc/18/31/35/808183135.db2.gz QCAVBXCDMDKYDB-FVQHAEBGSA-N 2 1 270.420 3.326 20 0 CGADMP Cc1cccc2c1C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172121419 808183139 /nfs/dbraw/zinc/18/31/39/808183139.db2.gz QCAVBXCDMDKYDB-FVQHAEBGSA-N 2 1 270.420 3.326 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccccc3)C1)C2 ZINC001172121679 808183484 /nfs/dbraw/zinc/18/34/84/808183484.db2.gz SJNDHADPKSIBFW-OKYOBFRVSA-N 2 1 284.447 3.491 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccccc3)C1)C2 ZINC001172121679 808183488 /nfs/dbraw/zinc/18/34/88/808183488.db2.gz SJNDHADPKSIBFW-OKYOBFRVSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC001172121679 808183489 /nfs/dbraw/zinc/18/34/89/808183489.db2.gz SJNDHADPKSIBFW-OKYOBFRVSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC001172121679 808183492 /nfs/dbraw/zinc/18/34/92/808183492.db2.gz SJNDHADPKSIBFW-OKYOBFRVSA-N 2 1 284.447 3.491 20 0 CGADMP CCOCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172405001 808292707 /nfs/dbraw/zinc/29/27/07/808292707.db2.gz PULSNKOZNGNHPW-INIZCTEOSA-N 2 1 290.451 3.056 20 0 CGADMP CCOCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172405002 808293627 /nfs/dbraw/zinc/29/36/27/808293627.db2.gz PULSNKOZNGNHPW-MRXNPFEDSA-N 2 1 290.451 3.056 20 0 CGADMP CC(C)OCC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172433051 808309547 /nfs/dbraw/zinc/30/95/47/808309547.db2.gz FQVPOHYHUDOGNU-HNNXBMFYSA-N 2 1 270.461 3.174 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172568562 808395617 /nfs/dbraw/zinc/39/56/17/808395617.db2.gz MXKVFCKRXDYJBG-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC2(CCCC2)CC1 ZINC001172724862 808422392 /nfs/dbraw/zinc/42/23/92/808422392.db2.gz IPEOWTHYKPGVIL-UHFFFAOYSA-N 2 1 261.413 3.368 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1c(F)cccc1Cl ZINC001172837552 808453142 /nfs/dbraw/zinc/45/31/42/808453142.db2.gz NVZIMKIJHABPEI-LLVKDONJSA-N 2 1 295.789 3.205 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001172840377 808455139 /nfs/dbraw/zinc/45/51/39/808455139.db2.gz BMMPSXCPERGULJ-SFHVURJKSA-N 2 1 284.447 3.069 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172875415 808473639 /nfs/dbraw/zinc/47/36/39/808473639.db2.gz OUIMWXQBNBBPRR-QWHCGFSZSA-N 2 1 298.883 3.362 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172926296 808483367 /nfs/dbraw/zinc/48/33/67/808483367.db2.gz AHTSABVPOKJHIA-LUKYLMHMSA-N 2 1 282.472 3.172 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001172925991 808483573 /nfs/dbraw/zinc/48/35/73/808483573.db2.gz MSONWMXUFMZYIZ-CGTJXYLNSA-N 2 1 290.451 3.041 20 0 CGADMP CCCOC1CCC([N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001173087876 808504249 /nfs/dbraw/zinc/50/42/49/808504249.db2.gz QESAWVVIEIFLBG-UHFFFAOYSA-N 2 1 290.451 3.185 20 0 CGADMP CCCOC1CCC([N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001173087876 808504255 /nfs/dbraw/zinc/50/42/55/808504255.db2.gz QESAWVVIEIFLBG-UHFFFAOYSA-N 2 1 290.451 3.185 20 0 CGADMP CCCOC1CCC([N@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC001173099412 808508343 /nfs/dbraw/zinc/50/83/43/808508343.db2.gz HTQMOIFMIXRNKT-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP CCCOC1CCC([N@@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC001173099412 808508346 /nfs/dbraw/zinc/50/83/46/808508346.db2.gz HTQMOIFMIXRNKT-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001173109311 808512211 /nfs/dbraw/zinc/51/22/11/808512211.db2.gz GNUVZJDTDDHMSC-QQFBHYJXSA-N 2 1 270.436 3.463 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001173110254 808513695 /nfs/dbraw/zinc/51/36/95/808513695.db2.gz QQYOJWXNRFOWDE-LMRVLLHPSA-N 2 1 256.409 3.072 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001173252130 808558705 /nfs/dbraw/zinc/55/87/05/808558705.db2.gz IDHRDLQTDVQSLP-VKJFTORMSA-N 2 1 274.452 3.110 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001173252130 808558707 /nfs/dbraw/zinc/55/87/07/808558707.db2.gz IDHRDLQTDVQSLP-VKJFTORMSA-N 2 1 274.452 3.110 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001173255718 808561932 /nfs/dbraw/zinc/56/19/32/808561932.db2.gz MKWQATGPZOHCOW-OKZBNKHCSA-N 2 1 296.499 3.244 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001173255718 808561937 /nfs/dbraw/zinc/56/19/37/808561937.db2.gz MKWQATGPZOHCOW-OKZBNKHCSA-N 2 1 296.499 3.244 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001173255718 808561947 /nfs/dbraw/zinc/56/19/47/808561947.db2.gz MKWQATGPZOHCOW-OKZBNKHCSA-N 2 1 296.499 3.244 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001173255718 808561954 /nfs/dbraw/zinc/56/19/54/808561954.db2.gz MKWQATGPZOHCOW-OKZBNKHCSA-N 2 1 296.499 3.244 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001173255718 808561960 /nfs/dbraw/zinc/56/19/60/808561960.db2.gz MKWQATGPZOHCOW-OKZBNKHCSA-N 2 1 296.499 3.244 20 0 CGADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001173273591 808577331 /nfs/dbraw/zinc/57/73/31/808577331.db2.gz OEULLNANMXSQFB-UAGQMJEPSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001173273591 808577338 /nfs/dbraw/zinc/57/73/38/808577338.db2.gz OEULLNANMXSQFB-UAGQMJEPSA-N 2 1 264.457 3.419 20 0 CGADMP CCSC[C@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001173307861 808603386 /nfs/dbraw/zinc/60/33/86/808603386.db2.gz JTLXZMTZNXASJY-AWEZNQCLSA-N 2 1 293.480 3.090 20 0 CGADMP CC[N@H+]1CC[C@@H](n2c([C@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001173366044 808632136 /nfs/dbraw/zinc/63/21/36/808632136.db2.gz VTWGJWRDTMOIQW-HZPDHXFCSA-N 2 1 283.419 3.333 20 0 CGADMP CCCC[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001275115514 808911668 /nfs/dbraw/zinc/91/16/68/808911668.db2.gz LESGIVWUYRJNAR-UHFFFAOYSA-N 2 1 272.436 3.266 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3cc[nH]c31)CC2 ZINC001275164502 808918285 /nfs/dbraw/zinc/91/82/85/808918285.db2.gz LVTNGDDMBZMOGH-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP c1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCC2)CC3)c1 ZINC001275182275 808920017 /nfs/dbraw/zinc/92/00/17/808920017.db2.gz NHFDJXOWSCCXMW-UHFFFAOYSA-N 2 1 287.451 3.103 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC001275828502 808969564 /nfs/dbraw/zinc/96/95/64/808969564.db2.gz BRWJDGDFHCEXOM-UHFFFAOYSA-N 2 1 276.399 3.134 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cncc3ccccc31)C2 ZINC001275841789 808971145 /nfs/dbraw/zinc/97/11/45/808971145.db2.gz AQLAWROQWKJMOT-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cncc3ccccc31)C2 ZINC001275841789 808971149 /nfs/dbraw/zinc/97/11/49/808971149.db2.gz AQLAWROQWKJMOT-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cncc3ccccc31)C2 ZINC001275841789 808971153 /nfs/dbraw/zinc/97/11/53/808971153.db2.gz AQLAWROQWKJMOT-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cncc3ccccc31)C2 ZINC001275841789 808971156 /nfs/dbraw/zinc/97/11/56/808971156.db2.gz AQLAWROQWKJMOT-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(F)c3F)(C1)CCC2 ZINC001275924331 808977270 /nfs/dbraw/zinc/97/72/70/808977270.db2.gz PANPNZGTDBETRU-JKSUJKDBSA-N 2 1 280.362 3.119 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)cc3F)(C1)CCC2 ZINC001275930177 808977678 /nfs/dbraw/zinc/97/76/78/808977678.db2.gz MHVLFMLATXFEJW-JKSUJKDBSA-N 2 1 280.362 3.119 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2scnc2c1 ZINC001275999961 808983906 /nfs/dbraw/zinc/98/39/06/808983906.db2.gz PCIXEJOEJYAWSB-AGUYFDCRSA-N 2 1 287.432 3.011 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2scnc2c1 ZINC001275999961 808983910 /nfs/dbraw/zinc/98/39/10/808983910.db2.gz PCIXEJOEJYAWSB-AGUYFDCRSA-N 2 1 287.432 3.011 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276031364 808984506 /nfs/dbraw/zinc/98/45/06/808984506.db2.gz IOLUBEUFXXSAIW-JFIYKMOQSA-N 2 1 276.468 3.373 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276031117 808984580 /nfs/dbraw/zinc/98/45/80/808984580.db2.gz HDQBMUMZSFOFFL-HOTGVXAUSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(F)ccc12 ZINC001276093331 808987082 /nfs/dbraw/zinc/98/70/82/808987082.db2.gz YLMDGOWRXURZOP-GOOCMWNKSA-N 2 1 287.382 3.022 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001276472276 809012107 /nfs/dbraw/zinc/01/21/07/809012107.db2.gz LJHCGFMQHYUWRJ-RCCFBDPRSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001276472276 809012113 /nfs/dbraw/zinc/01/21/13/809012113.db2.gz LJHCGFMQHYUWRJ-RCCFBDPRSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001276472276 809012122 /nfs/dbraw/zinc/01/21/22/809012122.db2.gz LJHCGFMQHYUWRJ-RCCFBDPRSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)CC1 ZINC001276472443 809013179 /nfs/dbraw/zinc/01/31/79/809013179.db2.gz MTFZNCHTXKMGBU-XWTMOSNGSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)CC1 ZINC001276472443 809013186 /nfs/dbraw/zinc/01/31/86/809013186.db2.gz MTFZNCHTXKMGBU-XWTMOSNGSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)CC1 ZINC001276472443 809013192 /nfs/dbraw/zinc/01/31/92/809013192.db2.gz MTFZNCHTXKMGBU-XWTMOSNGSA-N 2 1 276.468 3.252 20 0 CGADMP Cc1c2ccccc2[nH]c1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276593536 809018048 /nfs/dbraw/zinc/01/80/48/809018048.db2.gz ISSFCSMZVLLSJK-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276593536 809018057 /nfs/dbraw/zinc/01/80/57/809018057.db2.gz ISSFCSMZVLLSJK-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276593536 809018066 /nfs/dbraw/zinc/01/80/66/809018066.db2.gz ISSFCSMZVLLSJK-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276593536 809018074 /nfs/dbraw/zinc/01/80/74/809018074.db2.gz ISSFCSMZVLLSJK-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276593536 809018081 /nfs/dbraw/zinc/01/80/81/809018081.db2.gz ISSFCSMZVLLSJK-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP C(C1CCSCC1)[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001276768077 809030014 /nfs/dbraw/zinc/03/00/14/809030014.db2.gz ZCGCWLHIYTYXSN-UHFFFAOYSA-N 2 1 294.508 3.080 20 0 CGADMP C(C1CCSCC1)[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276768077 809030021 /nfs/dbraw/zinc/03/00/21/809030021.db2.gz ZCGCWLHIYTYXSN-UHFFFAOYSA-N 2 1 294.508 3.080 20 0 CGADMP Cc1csc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1Cl ZINC001276791008 809030823 /nfs/dbraw/zinc/03/08/23/809030823.db2.gz UFFJJMCLVQOQGX-BETUJISGSA-N 2 1 298.883 3.484 20 0 CGADMP Cc1csc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1Cl ZINC001276791008 809030831 /nfs/dbraw/zinc/03/08/31/809030831.db2.gz UFFJJMCLVQOQGX-BETUJISGSA-N 2 1 298.883 3.484 20 0 CGADMP Cc1csc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1Cl ZINC001276791008 809030837 /nfs/dbraw/zinc/03/08/37/809030837.db2.gz UFFJJMCLVQOQGX-BETUJISGSA-N 2 1 298.883 3.484 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276830816 809035626 /nfs/dbraw/zinc/03/56/26/809035626.db2.gz VJCALHOZWSGPNO-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2c1cccc2C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276830816 809035633 /nfs/dbraw/zinc/03/56/33/809035633.db2.gz VJCALHOZWSGPNO-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2c1cccc2C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276830816 809035640 /nfs/dbraw/zinc/03/56/40/809035640.db2.gz VJCALHOZWSGPNO-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001277798953 809097519 /nfs/dbraw/zinc/09/75/19/809097519.db2.gz HCDFFAJNUAEITM-UHFFFAOYSA-N 2 1 293.480 3.148 20 0 CGADMP Cc1[nH+]ccn1Cc1ccc(Nc2cc[nH+]c(C)c2)cc1 ZINC001174655681 809119163 /nfs/dbraw/zinc/11/91/63/809119163.db2.gz PAVKYHDWIYEZMG-UHFFFAOYSA-N 2 1 278.359 3.109 20 0 CGADMP FCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001278206110 809119386 /nfs/dbraw/zinc/11/93/86/809119386.db2.gz XSTMNPSKXCSQJV-UHFFFAOYSA-N 2 1 293.430 3.052 20 0 CGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CCO1 ZINC001174932998 809204668 /nfs/dbraw/zinc/20/46/68/809204668.db2.gz IELLCPFZUCXZRA-IAGOWNOFSA-N 2 1 296.499 3.245 20 0 CGADMP CCCC[N@@H+](C[C@@H](C)OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984538 809226669 /nfs/dbraw/zinc/22/66/69/809226669.db2.gz ROSZHFYIJRAHJP-CQSZACIVSA-N 2 1 284.488 3.433 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC001177972713 809836965 /nfs/dbraw/zinc/83/69/65/809836965.db2.gz VGNRBXCYFUFVTF-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H](COCC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179637047 809934167 /nfs/dbraw/zinc/93/41/67/809934167.db2.gz RFKQWMGWILOVLK-RDJZCZTQSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4ccccc4s3)[C@H]2C1 ZINC001179817669 809949046 /nfs/dbraw/zinc/94/90/46/809949046.db2.gz RHWREYAXVVBKSA-BPUTZDHNSA-N 2 1 286.444 3.331 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC001181586345 810060539 /nfs/dbraw/zinc/06/05/39/810060539.db2.gz BMDZNKDXSNPNKJ-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC001181586345 810060541 /nfs/dbraw/zinc/06/05/41/810060541.db2.gz BMDZNKDXSNPNKJ-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC001182153024 810096144 /nfs/dbraw/zinc/09/61/44/810096144.db2.gz WEBJVQXUBKBLOY-BZUAXINKSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC001182153024 810096146 /nfs/dbraw/zinc/09/61/46/810096146.db2.gz WEBJVQXUBKBLOY-BZUAXINKSA-N 2 1 284.488 3.290 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001193807234 810959271 /nfs/dbraw/zinc/95/92/71/810959271.db2.gz JJCGXAIMBXNLQV-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC001198942988 811553225 /nfs/dbraw/zinc/55/32/25/811553225.db2.gz MRIQCVZCIGWQRR-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001199267961 811568799 /nfs/dbraw/zinc/56/87/99/811568799.db2.gz UDPHJVLCWHXQFI-XUWVNRHRSA-N 2 1 284.513 3.371 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001199267961 811568805 /nfs/dbraw/zinc/56/88/05/811568805.db2.gz UDPHJVLCWHXQFI-XUWVNRHRSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001199335695 811572526 /nfs/dbraw/zinc/57/25/26/811572526.db2.gz AIFLGUQMNOIXTO-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C)n1 ZINC001199328773 811572545 /nfs/dbraw/zinc/57/25/45/811572545.db2.gz IYCLVQAELLANFN-GASCZTMLSA-N 2 1 289.467 3.156 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C)n1 ZINC001199328773 811572550 /nfs/dbraw/zinc/57/25/50/811572550.db2.gz IYCLVQAELLANFN-GASCZTMLSA-N 2 1 289.467 3.156 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001200232284 811646191 /nfs/dbraw/zinc/64/61/91/811646191.db2.gz JSTPFGVILULBAM-PMPSAXMXSA-N 2 1 252.446 3.299 20 0 CGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201486581 811861313 /nfs/dbraw/zinc/86/13/13/811861313.db2.gz KDSKLEPYCVCTTJ-FGTMMUONSA-N 2 1 294.483 3.021 20 0 CGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201486581 811861318 /nfs/dbraw/zinc/86/13/18/811861318.db2.gz KDSKLEPYCVCTTJ-FGTMMUONSA-N 2 1 294.483 3.021 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201486581 811861328 /nfs/dbraw/zinc/86/13/28/811861328.db2.gz KDSKLEPYCVCTTJ-FGTMMUONSA-N 2 1 294.483 3.021 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201486581 811861337 /nfs/dbraw/zinc/86/13/37/811861337.db2.gz KDSKLEPYCVCTTJ-FGTMMUONSA-N 2 1 294.483 3.021 20 0 CGADMP CCC[C@@H](C)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201544492 811894630 /nfs/dbraw/zinc/89/46/30/811894630.db2.gz XZJNXPXRIWMWAO-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201544492 811894637 /nfs/dbraw/zinc/89/46/37/811894637.db2.gz XZJNXPXRIWMWAO-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201544492 811894646 /nfs/dbraw/zinc/89/46/46/811894646.db2.gz XZJNXPXRIWMWAO-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201544492 811894654 /nfs/dbraw/zinc/89/46/54/811894654.db2.gz XZJNXPXRIWMWAO-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP CC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001201587818 811914850 /nfs/dbraw/zinc/91/48/50/811914850.db2.gz ZJOKQLTUUBQVPD-UHFFFAOYSA-N 2 1 272.436 3.385 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)CCCC[NH3+])s1 ZINC001236141037 819340522 /nfs/dbraw/zinc/34/05/22/819340522.db2.gz DHJJZVNUAPAKIZ-UHFFFAOYSA-N 2 1 254.443 3.261 20 0 CGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](CC4CCCC4)C[C@H]3C2)c1 ZINC001202138494 812022602 /nfs/dbraw/zinc/02/26/02/812022602.db2.gz HYEHQZPJLBLJIG-HOTGVXAUSA-N 2 1 290.476 3.302 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001202629320 812140981 /nfs/dbraw/zinc/14/09/81/812140981.db2.gz QRWGPCVWGXDEEU-RRFJBIMHSA-N 2 1 272.502 3.371 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001202629320 812140985 /nfs/dbraw/zinc/14/09/85/812140985.db2.gz QRWGPCVWGXDEEU-RRFJBIMHSA-N 2 1 272.502 3.371 20 0 CGADMP COc1ccccc1C[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001203438523 812357462 /nfs/dbraw/zinc/35/74/62/812357462.db2.gz JAECYLAYGQNTQL-MRXNPFEDSA-N 2 1 298.386 3.052 20 0 CGADMP C[NH+]1CCC2(C[NH+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC001203693629 812430014 /nfs/dbraw/zinc/43/00/14/812430014.db2.gz HDKZAWCEEBEVHO-UHFFFAOYSA-N 2 1 298.352 3.233 20 0 CGADMP CCC[N@@H+](CC)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204263670 812591929 /nfs/dbraw/zinc/59/19/29/812591929.db2.gz ADHGHAPTLZGSDV-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC001204268289 812592683 /nfs/dbraw/zinc/59/26/83/812592683.db2.gz HHMHQJNYQAHSBR-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c(C)[nH]c3ccccc32)CC1 ZINC001204289949 812600088 /nfs/dbraw/zinc/60/00/88/812600088.db2.gz WCYFYGIYPKYDFQ-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c(C)[nH]c3ccccc32)CC1 ZINC001204289949 812600093 /nfs/dbraw/zinc/60/00/93/812600093.db2.gz WCYFYGIYPKYDFQ-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001204292380 812600976 /nfs/dbraw/zinc/60/09/76/812600976.db2.gz CCUUFIKQRPZMSU-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC001204592393 812681899 /nfs/dbraw/zinc/68/18/99/812681899.db2.gz NKUPYFCXDKIDQM-QGZVFWFLSA-N 2 1 298.515 3.347 20 0 CGADMP CCC[N@@H+](CC1CC2(C1)CC[NH2+]CC2)[C@H](C)CC ZINC001204630083 812694875 /nfs/dbraw/zinc/69/48/75/812694875.db2.gz KFBADHCECHSJTF-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP COC(=[NH2+])c1cccc(-c2ccc(C[NH+](C)C)cc2)c1 ZINC001204641987 812698634 /nfs/dbraw/zinc/69/86/34/812698634.db2.gz MPHDOFJUDBPUSL-UHFFFAOYSA-N 2 1 268.360 3.387 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204735233 812719616 /nfs/dbraw/zinc/71/96/16/812719616.db2.gz PEQHOGMDENRFLE-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904676 812770299 /nfs/dbraw/zinc/77/02/99/812770299.db2.gz WTZPCRCBWQHXCW-HUUCEWRRSA-N 2 1 250.430 3.182 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904676 812770302 /nfs/dbraw/zinc/77/03/02/812770302.db2.gz WTZPCRCBWQHXCW-HUUCEWRRSA-N 2 1 250.430 3.182 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001204918821 812775787 /nfs/dbraw/zinc/77/57/87/812775787.db2.gz NBUDOSLYFRVCSQ-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001204918821 812775792 /nfs/dbraw/zinc/77/57/92/812775792.db2.gz NBUDOSLYFRVCSQ-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001204945048 812791117 /nfs/dbraw/zinc/79/11/17/812791117.db2.gz DRGXWCJSRGVPFF-LJQANCHMSA-N 2 1 296.414 3.372 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001204945048 812791119 /nfs/dbraw/zinc/79/11/19/812791119.db2.gz DRGXWCJSRGVPFF-LJQANCHMSA-N 2 1 296.414 3.372 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2(c3ccccc3)CCCC2)C1 ZINC001205001336 812818975 /nfs/dbraw/zinc/81/89/75/812818975.db2.gz QATFJJGPRMCGFY-QGZVFWFLSA-N 2 1 286.463 3.430 20 0 CGADMP CCC(CC)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)CCO1 ZINC001205007002 812823998 /nfs/dbraw/zinc/82/39/98/812823998.db2.gz BWHYVTJZLRJFEV-IAGOWNOFSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205015766 812825530 /nfs/dbraw/zinc/82/55/30/812825530.db2.gz FGGOOLXAPSYAJI-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205015766 812825540 /nfs/dbraw/zinc/82/55/40/812825540.db2.gz FGGOOLXAPSYAJI-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)cc(SC)c2)C1 ZINC001205016848 812825984 /nfs/dbraw/zinc/82/59/84/812825984.db2.gz LENNSVTZTWCUDY-AWEZNQCLSA-N 2 1 278.465 3.148 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)cc(SC)c2)C1 ZINC001205016848 812825997 /nfs/dbraw/zinc/82/59/97/812825997.db2.gz LENNSVTZTWCUDY-AWEZNQCLSA-N 2 1 278.465 3.148 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC(C)C)ccc2C)C1 ZINC001205017997 812828643 /nfs/dbraw/zinc/82/86/43/812828643.db2.gz QGLCXCDVOJTFSY-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP CCCCc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205075820 812850298 /nfs/dbraw/zinc/85/02/98/812850298.db2.gz OLBRBPRGQRAYBQ-YOEHRIQHSA-N 2 1 260.425 3.341 20 0 CGADMP CCCCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205075820 812850307 /nfs/dbraw/zinc/85/03/07/812850307.db2.gz OLBRBPRGQRAYBQ-YOEHRIQHSA-N 2 1 260.425 3.341 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@H]([NH3+])CC2)C1(C)C ZINC001205088716 812857485 /nfs/dbraw/zinc/85/74/85/812857485.db2.gz RPSSSGXSHUXFRL-CABCVRRESA-N 2 1 250.430 3.182 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001205101440 812864652 /nfs/dbraw/zinc/86/46/52/812864652.db2.gz FFZNTMMDNBUYOD-NSHDSACASA-N 2 1 277.799 3.135 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc21 ZINC001205123916 812876163 /nfs/dbraw/zinc/87/61/63/812876163.db2.gz HCZLGTXYVRJCRC-KRWDZBQOSA-N 3 1 299.462 3.001 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(CN3CCC[C@H]([NH3+])CC3)cc21 ZINC001205123916 812876171 /nfs/dbraw/zinc/87/61/71/812876171.db2.gz HCZLGTXYVRJCRC-KRWDZBQOSA-N 2 1 299.462 3.001 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140554 812885014 /nfs/dbraw/zinc/88/50/14/812885014.db2.gz NIRFYWYAPZBXIW-WCQYABFASA-N 2 1 286.341 3.040 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C[C@H]1C[NH3+] ZINC001205150801 812887216 /nfs/dbraw/zinc/88/72/16/812887216.db2.gz KLYSIDPMWQRUAH-KBXCAEBGSA-N 2 1 296.414 3.086 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205156164 812889739 /nfs/dbraw/zinc/88/97/39/812889739.db2.gz PHSQASWEVYHENN-CMPLNLGQSA-N 2 1 284.856 3.089 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205156164 812889745 /nfs/dbraw/zinc/88/97/45/812889745.db2.gz PHSQASWEVYHENN-CMPLNLGQSA-N 2 1 284.856 3.089 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(C(C)(C)C)CC1 ZINC001205164594 812895323 /nfs/dbraw/zinc/89/53/23/812895323.db2.gz INYLFCRZKJIRLG-OCCSQVGLSA-N 2 1 288.426 3.235 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171096 812897522 /nfs/dbraw/zinc/89/75/22/812897522.db2.gz JYOIDKCFZUROSB-RRFJBIMHSA-N 2 1 270.461 3.029 20 0 CGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC001205198284 812905469 /nfs/dbraw/zinc/90/54/69/812905469.db2.gz KWVVGQPWGPCTES-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3cccnc3cc2F)CC1 ZINC001205273902 812926607 /nfs/dbraw/zinc/92/66/07/812926607.db2.gz RDXQVJZJWYOZNV-KRWDZBQOSA-N 2 1 287.382 3.077 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205281545 812930797 /nfs/dbraw/zinc/93/07/97/812930797.db2.gz UNLDWQQXPZEBPZ-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP Cc1nc2cc(C[N@H+]3CCC[C@](C)([NH3+])CC3)ccc2s1 ZINC001205287729 812931331 /nfs/dbraw/zinc/93/13/31/812931331.db2.gz BFRIWZPUKGWSHN-INIZCTEOSA-N 2 1 289.448 3.308 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(O)cc3ccccc32)CC1 ZINC001205288791 812933648 /nfs/dbraw/zinc/93/36/48/812933648.db2.gz OKGBKVMTOVPSSU-SFHVURJKSA-N 2 1 284.403 3.249 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC001205295744 812935536 /nfs/dbraw/zinc/93/55/36/812935536.db2.gz BJVPNCCBUSAVFM-ZFWWWQNUSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001205295655 812935724 /nfs/dbraw/zinc/93/57/24/812935724.db2.gz AXLCSYMTTSANMY-INIZCTEOSA-N 2 1 275.371 3.010 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205295610 812935817 /nfs/dbraw/zinc/93/58/17/812935817.db2.gz AMEMDKGXJJDOOV-GOSISDBHSA-N 2 1 290.451 3.486 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296618 812938416 /nfs/dbraw/zinc/93/84/16/812938416.db2.gz RQVRRMXVVSWYDJ-KRWDZBQOSA-N 2 1 276.424 3.015 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C[C@@H]1C[NH3+] ZINC001205303994 812942408 /nfs/dbraw/zinc/94/24/08/812942408.db2.gz MLVZCDARCHQIOY-RYUDHWBXSA-N 2 1 291.826 3.238 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C[C@H]1C[NH3+] ZINC001205303995 812942506 /nfs/dbraw/zinc/94/25/06/812942506.db2.gz MLVZCDARCHQIOY-VXGBXAGGSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205315339 812947732 /nfs/dbraw/zinc/94/77/32/812947732.db2.gz DWAKWSADRALGRN-SMDDNHRTSA-N 2 1 266.816 3.065 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205539325 812997131 /nfs/dbraw/zinc/99/71/31/812997131.db2.gz WQRWLWCNINSPAE-LSDHHAIUSA-N 2 1 258.425 3.356 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546264 813000119 /nfs/dbraw/zinc/00/01/19/813000119.db2.gz TUQNQKUHNRLJPC-KRWDZBQOSA-N 2 1 294.414 3.127 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)c[nH]c21 ZINC001205546235 813000539 /nfs/dbraw/zinc/00/05/39/813000539.db2.gz SMOMQIRWZVLOHX-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2C(F)F)CC1 ZINC001205558993 813003756 /nfs/dbraw/zinc/00/37/56/813003756.db2.gz MRNZDBSJOXIKCF-HNNXBMFYSA-N 2 1 286.341 3.277 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1)c1ccccc1 ZINC001205602271 813018534 /nfs/dbraw/zinc/01/85/34/813018534.db2.gz IEDPCHKJNFJGAR-BFYDXBDKSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1)c1ccccc1 ZINC001205602276 813019299 /nfs/dbraw/zinc/01/92/99/813019299.db2.gz IEDPCHKJNFJGAR-ZMSDIMECSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205604438 813021261 /nfs/dbraw/zinc/02/12/61/813021261.db2.gz VRAASZHUKSFNRK-GXTWGEPZSA-N 2 1 266.816 3.147 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)o1 ZINC001205604751 813021940 /nfs/dbraw/zinc/02/19/40/813021940.db2.gz WQPIGAVKNQFZQO-SQWLQELKSA-N 2 1 278.440 3.388 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205617414 813026634 /nfs/dbraw/zinc/02/66/34/813026634.db2.gz JLNCWTDEKTYRDU-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205616251 813026788 /nfs/dbraw/zinc/02/67/88/813026788.db2.gz DXQQLOGYPAGKGK-CVEARBPZSA-N 2 1 290.451 3.201 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205615753 813027385 /nfs/dbraw/zinc/02/73/85/813027385.db2.gz AJMYAVRXTOHIAG-XJKSGUPXSA-N 2 1 260.425 3.110 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205618337 813028812 /nfs/dbraw/zinc/02/88/12/813028812.db2.gz UVYSSKMZLKZBSI-WBVHZDCISA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)CC[C@@H]1C[NH3+] ZINC001205617827 813029629 /nfs/dbraw/zinc/02/96/29/813029629.db2.gz OGRDFJKYJOFMLR-RHSMWYFYSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)CC[C@@H]1C[NH3+] ZINC001205626861 813032176 /nfs/dbraw/zinc/03/21/76/813032176.db2.gz JXVRXEPLHCKTQB-GDBMZVCRSA-N 2 1 272.436 3.371 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205625965 813032902 /nfs/dbraw/zinc/03/29/02/813032902.db2.gz DAUWUJOKDAGGBD-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(C(C)(C)C)c2)CC[C@@H]1C[NH3+] ZINC001205636862 813035875 /nfs/dbraw/zinc/03/58/75/813035875.db2.gz FQEYVIDFIJFMQQ-GDBMZVCRSA-N 2 1 289.467 3.186 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205637811 813036293 /nfs/dbraw/zinc/03/62/93/813036293.db2.gz IYCIUDOGKLLULP-KBPBESRZSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651839 813042929 /nfs/dbraw/zinc/04/29/29/813042929.db2.gz KMXAPIPNHHOVMK-UONOGXRCSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651967 813043206 /nfs/dbraw/zinc/04/32/06/813043206.db2.gz MPHOWJANIVIFJX-OCCSQVGLSA-N 2 1 280.843 3.455 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205778901 813075854 /nfs/dbraw/zinc/07/58/54/813075854.db2.gz IDLBFHWDSMOFEL-OAHLLOKOSA-N 2 1 282.378 3.055 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205778901 813075863 /nfs/dbraw/zinc/07/58/63/813075863.db2.gz IDLBFHWDSMOFEL-OAHLLOKOSA-N 2 1 282.378 3.055 20 0 CGADMP Cc1cccc2c(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205802986 813083468 /nfs/dbraw/zinc/08/34/68/813083468.db2.gz DRFNUVHVFNEHLF-WFASDCNBSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2c(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205802986 813083481 /nfs/dbraw/zinc/08/34/81/813083481.db2.gz DRFNUVHVFNEHLF-WFASDCNBSA-N 2 1 271.408 3.036 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904553 813125794 /nfs/dbraw/zinc/12/57/94/813125794.db2.gz VSTXOYVAANXKOO-YOEHRIQHSA-N 2 1 260.425 3.369 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)C1(C)C ZINC001205903964 813126232 /nfs/dbraw/zinc/12/62/32/813126232.db2.gz SHSFXMKHINFBBT-ARFHVFGLSA-N 2 1 264.457 3.428 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@H]3C)c[nH]c21 ZINC001205904858 813127999 /nfs/dbraw/zinc/12/79/99/813127999.db2.gz XIEWWJUTHGEASW-UKRRQHHQSA-N 2 1 285.435 3.290 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205912631 813129835 /nfs/dbraw/zinc/12/98/35/813129835.db2.gz BFWJSHUINMAGIZ-VXGBXAGGSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccc(Cl)cc2[nH]1 ZINC001205914549 813130636 /nfs/dbraw/zinc/13/06/36/813130636.db2.gz MWCCISPUKZPIDF-WCQYABFASA-N 2 1 291.826 3.381 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(C)c1F ZINC001205913549 813130920 /nfs/dbraw/zinc/13/09/20/813130920.db2.gz JBCGGYAHRAOKON-DZGCQCFKSA-N 2 1 264.388 3.002 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205916219 813133165 /nfs/dbraw/zinc/13/31/65/813133165.db2.gz TVYRAOJRQHBKQM-CVEARBPZSA-N 2 1 290.451 3.341 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205933010 813138727 /nfs/dbraw/zinc/13/87/27/813138727.db2.gz VMDZFAFXBNWLHB-MRXNPFEDSA-N 2 1 260.425 3.297 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205933010 813138730 /nfs/dbraw/zinc/13/87/30/813138730.db2.gz VMDZFAFXBNWLHB-MRXNPFEDSA-N 2 1 260.425 3.297 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)CCC1(F)F ZINC001205981053 813151403 /nfs/dbraw/zinc/15/14/03/813151403.db2.gz BIHUSTHBOBJOFA-CYBMUJFWSA-N 2 1 294.389 3.200 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001205985798 813152730 /nfs/dbraw/zinc/15/27/30/813152730.db2.gz ZZCPCTWJCXRHRD-NXOAAHMSSA-N 2 1 264.457 3.286 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001205984647 813153061 /nfs/dbraw/zinc/15/30/61/813153061.db2.gz SXJWBZIDDNMAKY-JKSUJKDBSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)CCC[C@H]1C[NH3+] ZINC001205985506 813153180 /nfs/dbraw/zinc/15/31/80/813153180.db2.gz YKSCLEIOZUYNFV-ZBFHGGJFSA-N 2 1 252.446 3.264 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c2c1 ZINC001205996013 813157027 /nfs/dbraw/zinc/15/70/27/813157027.db2.gz TURADNKYDZJGRK-HUUCEWRRSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3scnc3c2)CCC[C@H]1C[NH3+] ZINC001206014150 813166512 /nfs/dbraw/zinc/16/65/12/813166512.db2.gz WDTIRTXQLQZUCP-JSGCOSHPSA-N 2 1 289.448 3.103 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206014514 813166708 /nfs/dbraw/zinc/16/67/08/813166708.db2.gz XEANSGKCKRRRIL-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206022101 813169329 /nfs/dbraw/zinc/16/93/29/813169329.db2.gz BHOPTAKLYWCBDG-KGLIPLIRSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cnc1C1CC1 ZINC001206036691 813175501 /nfs/dbraw/zinc/17/55/01/813175501.db2.gz NZGWEBSDXRRTBK-YOEHRIQHSA-N 2 1 287.451 3.074 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cnc1C1CC1 ZINC001206036689 813176100 /nfs/dbraw/zinc/17/61/00/813176100.db2.gz NZGWEBSDXRRTBK-RHSMWYFYSA-N 2 1 287.451 3.074 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1)CC(C)(C)C ZINC001206154247 813217437 /nfs/dbraw/zinc/21/74/37/813217437.db2.gz HWAMHSLLSXCVGC-MGPQQGTHSA-N 2 1 258.425 3.210 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1)CC(C)(C)C ZINC001206154247 813217441 /nfs/dbraw/zinc/21/74/41/813217441.db2.gz HWAMHSLLSXCVGC-MGPQQGTHSA-N 2 1 258.425 3.210 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C[C@@H]1C ZINC001206109544 813201367 /nfs/dbraw/zinc/20/13/67/813201367.db2.gz BIZLAXSGRMSNSX-KGLIPLIRSA-N 2 1 258.409 3.158 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCCCc2ccccc2)CC[C@H]1F ZINC001206156224 813216761 /nfs/dbraw/zinc/21/67/61/813216761.db2.gz OUCXWPBWLFEHIN-IAGOWNOFSA-N 2 1 278.415 3.161 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCCCc2ccccc2)CC[C@H]1F ZINC001206156224 813216767 /nfs/dbraw/zinc/21/67/67/813216767.db2.gz OUCXWPBWLFEHIN-IAGOWNOFSA-N 2 1 278.415 3.161 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206157403 813217989 /nfs/dbraw/zinc/21/79/89/813217989.db2.gz YICZDMUHSKXZBK-IAGOWNOFSA-N 2 1 278.415 3.114 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206157403 813217994 /nfs/dbraw/zinc/21/79/94/813217994.db2.gz YICZDMUHSKXZBK-IAGOWNOFSA-N 2 1 278.415 3.114 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206198000 813235964 /nfs/dbraw/zinc/23/59/64/813235964.db2.gz KSHZCIXTTFKAAQ-LSDHHAIUSA-N 2 1 284.806 3.164 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206198000 813235968 /nfs/dbraw/zinc/23/59/68/813235968.db2.gz KSHZCIXTTFKAAQ-LSDHHAIUSA-N 2 1 284.806 3.164 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001206262997 813262739 /nfs/dbraw/zinc/26/27/39/813262739.db2.gz LBEFOMUKCUCVPP-LBPRGKRZSA-N 2 1 289.810 3.072 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001206262997 813262742 /nfs/dbraw/zinc/26/27/42/813262742.db2.gz LBEFOMUKCUCVPP-LBPRGKRZSA-N 2 1 289.810 3.072 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206294136 813275318 /nfs/dbraw/zinc/27/53/18/813275318.db2.gz JLMUNFBGDIAKGL-GOSISDBHSA-N 2 1 290.451 3.426 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC001206292639 813275638 /nfs/dbraw/zinc/27/56/38/813275638.db2.gz DCBQBGNYKICWGQ-OAHLLOKOSA-N 2 1 266.816 3.291 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c3ccccc23)CC1 ZINC001206304326 813280660 /nfs/dbraw/zinc/28/06/60/813280660.db2.gz IUHSHBDQKDABFA-LJQANCHMSA-N 2 1 298.430 3.496 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)c1 ZINC001206310701 813284010 /nfs/dbraw/zinc/28/40/10/813284010.db2.gz AEOTUYVVFHKNLK-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)c1 ZINC001206310700 813284157 /nfs/dbraw/zinc/28/41/57/813284157.db2.gz AEOTUYVVFHKNLK-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1C ZINC001206363628 813303942 /nfs/dbraw/zinc/30/39/42/813303942.db2.gz YUYRYMVPYSVITB-KRWDZBQOSA-N 2 1 278.415 3.265 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1C ZINC001206363628 813303945 /nfs/dbraw/zinc/30/39/45/813303945.db2.gz YUYRYMVPYSVITB-KRWDZBQOSA-N 2 1 278.415 3.265 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC001206538439 813342185 /nfs/dbraw/zinc/34/21/85/813342185.db2.gz YMDNZYBFAXHANT-JKSUJKDBSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC001206542192 813345277 /nfs/dbraw/zinc/34/52/77/813345277.db2.gz UQIKATFXOXOGDH-INIZCTEOSA-N 2 1 298.833 3.473 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)ccc21 ZINC001206548788 813348244 /nfs/dbraw/zinc/34/82/44/813348244.db2.gz IZVFANMNRBNODL-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206550283 813348348 /nfs/dbraw/zinc/34/83/48/813348348.db2.gz ZGWVKPGONRNFGE-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206550283 813348355 /nfs/dbraw/zinc/34/83/55/813348355.db2.gz ZGWVKPGONRNFGE-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)ccc2c1 ZINC001206549630 813348811 /nfs/dbraw/zinc/34/88/11/813348811.db2.gz PGUIJOGMSZWSBG-LJQANCHMSA-N 2 1 297.446 3.494 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556805 813351280 /nfs/dbraw/zinc/35/12/80/813351280.db2.gz XMQLPLLXYYKUNK-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556805 813351286 /nfs/dbraw/zinc/35/12/86/813351286.db2.gz XMQLPLLXYYKUNK-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1csc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206580980 813361403 /nfs/dbraw/zinc/36/14/03/813361403.db2.gz GSCGSMUYEXWUDS-CQSZACIVSA-N 2 1 266.454 3.409 20 0 CGADMP CC(C)[N@H+](CCC[NH2+]C1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC001206582949 813362870 /nfs/dbraw/zinc/36/28/70/813362870.db2.gz QUWBTTSGIMPKSL-SFHVURJKSA-N 3 1 295.515 3.151 20 0 CGADMP CC(C)[N@@H+](CCC[NH2+]C1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC001206582949 813362875 /nfs/dbraw/zinc/36/28/75/813362875.db2.gz QUWBTTSGIMPKSL-SFHVURJKSA-N 3 1 295.515 3.151 20 0 CGADMP COc1ccc(C)cc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589968 813365161 /nfs/dbraw/zinc/36/51/61/813365161.db2.gz JPTRJBVXRFGFPX-KRWDZBQOSA-N 2 1 290.451 3.356 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(N(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC001206589966 813365749 /nfs/dbraw/zinc/36/57/49/813365749.db2.gz JNOJYLXDZRGXOL-KRWDZBQOSA-N 2 1 289.467 3.105 20 0 CGADMP CNc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206599306 813370156 /nfs/dbraw/zinc/37/01/56/813370156.db2.gz QOQZLFACJMYRKD-KRWDZBQOSA-N 2 1 275.440 3.081 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001206606309 813373689 /nfs/dbraw/zinc/37/36/89/813373689.db2.gz KCWGODMASAERIF-JYJNAYRXSA-N 2 1 250.430 3.040 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001206615911 813375411 /nfs/dbraw/zinc/37/54/11/813375411.db2.gz KIPGYSYMUCHBNP-KRWDZBQOSA-N 2 1 295.430 3.309 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206615475 813376362 /nfs/dbraw/zinc/37/63/62/813376362.db2.gz DWAMSIDBFHBXSV-QGZVFWFLSA-N 2 1 290.451 3.282 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001206615153 813376544 /nfs/dbraw/zinc/37/65/44/813376544.db2.gz DGQDPOMIDXXJMI-LBPRGKRZSA-N 2 1 291.826 3.382 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206761320 813425346 /nfs/dbraw/zinc/42/53/46/813425346.db2.gz WWLOZTGXIVBBQY-BZUAXINKSA-N 2 1 284.488 3.013 20 0 CGADMP CCCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768319 813430687 /nfs/dbraw/zinc/43/06/87/813430687.db2.gz JDZJGPGPARDOQF-HUUCEWRRSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1ncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)s1 ZINC001207061989 813476033 /nfs/dbraw/zinc/47/60/33/813476033.db2.gz TVDJYUJJLZQGIU-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)s1 ZINC001207061989 813476039 /nfs/dbraw/zinc/47/60/39/813476039.db2.gz TVDJYUJJLZQGIU-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001207061989 813476042 /nfs/dbraw/zinc/47/60/42/813476042.db2.gz TVDJYUJJLZQGIU-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001207061989 813476047 /nfs/dbraw/zinc/47/60/47/813476047.db2.gz TVDJYUJJLZQGIU-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001207282324 813534112 /nfs/dbraw/zinc/53/41/12/813534112.db2.gz HYXDFLKOCVCPDO-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](CCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207425454 813562155 /nfs/dbraw/zinc/56/21/55/813562155.db2.gz MTXKLEUANXLNFG-HOTGVXAUSA-N 2 1 292.854 3.156 20 0 CGADMP c1ccc(C[N@@H+](Cc2ccccn2)CC2CC[NH2+]CC2)cc1 ZINC001207436977 813565352 /nfs/dbraw/zinc/56/53/52/813565352.db2.gz YKZLNAAXEKNFSG-UHFFFAOYSA-N 2 1 295.430 3.083 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001207486249 813573123 /nfs/dbraw/zinc/57/31/23/813573123.db2.gz FJZXFOOBUUTJMZ-KRWDZBQOSA-N 2 1 290.426 3.347 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCc3ccccc3F)C[C@@H]2C1 ZINC001207496293 813578242 /nfs/dbraw/zinc/57/82/42/813578242.db2.gz JOGTXNMRIWFUGC-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCc3ccccc3F)C[C@@H]2C1 ZINC001207496293 813578248 /nfs/dbraw/zinc/57/82/48/813578248.db2.gz JOGTXNMRIWFUGC-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCc3ccccc3F)C[C@@H]2C1 ZINC001207496293 813578251 /nfs/dbraw/zinc/57/82/51/813578251.db2.gz JOGTXNMRIWFUGC-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP CC[NH+](CC)C1CC[NH+](CCc2cccc(C)c2)CC1 ZINC001207538827 813590869 /nfs/dbraw/zinc/59/08/69/813590869.db2.gz JATSGGQXKPHGFG-UHFFFAOYSA-N 2 1 274.452 3.344 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207593902 813604115 /nfs/dbraw/zinc/60/41/15/813604115.db2.gz OJTIFOAPDKPEOO-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207593902 813604123 /nfs/dbraw/zinc/60/41/23/813604123.db2.gz OJTIFOAPDKPEOO-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207593902 813604128 /nfs/dbraw/zinc/60/41/28/813604128.db2.gz OJTIFOAPDKPEOO-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP C[N@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207593603 813604195 /nfs/dbraw/zinc/60/41/95/813604195.db2.gz XPVBIKISFUTGEI-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP C[N@@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207593603 813604200 /nfs/dbraw/zinc/60/42/00/813604200.db2.gz XPVBIKISFUTGEI-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207636813 813625664 /nfs/dbraw/zinc/62/56/64/813625664.db2.gz YEEPSXDGDWJEOM-BBWFWOEESA-N 2 1 276.468 3.395 20 0 CGADMP CCN1CCC([N@@H+](C)CC[C@@H](C)CCCC(C)(C)O)CC1 ZINC001207670975 813630218 /nfs/dbraw/zinc/63/02/18/813630218.db2.gz PIGQUXWICMJTFK-INIZCTEOSA-N 2 1 298.515 3.370 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC[C@@H](C)CCCC(C)(C)O)CC1 ZINC001207670975 813630222 /nfs/dbraw/zinc/63/02/22/813630222.db2.gz PIGQUXWICMJTFK-INIZCTEOSA-N 2 1 298.515 3.370 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](C)CCCC(C)(C)O)CC1 ZINC001207670975 813630228 /nfs/dbraw/zinc/63/02/28/813630228.db2.gz PIGQUXWICMJTFK-INIZCTEOSA-N 2 1 298.515 3.370 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC001207913510 813670252 /nfs/dbraw/zinc/67/02/52/813670252.db2.gz MAZNQPORWZBSPH-HNNXBMFYSA-N 2 1 260.425 3.206 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CC[C@@H](C)SC)CC1 ZINC001208151794 813710389 /nfs/dbraw/zinc/71/03/89/813710389.db2.gz YIDCWCWBYQXLFR-CQSZACIVSA-N 2 1 272.502 3.324 20 0 CGADMP C[NH+]1CCC(C)(C[N@@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001208108255 813694078 /nfs/dbraw/zinc/69/40/78/813694078.db2.gz CFZDTBJLBJGZQF-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001208108255 813694084 /nfs/dbraw/zinc/69/40/84/813694084.db2.gz CFZDTBJLBJGZQF-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+](C)CCC[NH+]2CCCC2)o1 ZINC001208153905 813712488 /nfs/dbraw/zinc/71/24/88/813712488.db2.gz DIVWLBBKSSMOMG-HNNXBMFYSA-N 2 1 278.440 3.499 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001208179366 813730333 /nfs/dbraw/zinc/73/03/33/813730333.db2.gz XXJDMGQNKLOSQQ-NVXWUHKLSA-N 2 1 264.457 3.252 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC001208181969 813733869 /nfs/dbraw/zinc/73/38/69/813733869.db2.gz FZQFNYAFTASYJH-UHFFFAOYSA-N 2 1 260.425 3.240 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001208600922 813771280 /nfs/dbraw/zinc/77/12/80/813771280.db2.gz GCNXWGLTPQAJOV-GOSISDBHSA-N 2 1 287.451 3.259 20 0 CGADMP CCC(=O)C(C)(C)C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001208916524 813898381 /nfs/dbraw/zinc/89/83/81/813898381.db2.gz LTBZGFCLUOJVBK-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)C(C)(C)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001208916524 813898388 /nfs/dbraw/zinc/89/83/88/813898388.db2.gz LTBZGFCLUOJVBK-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC4CC(C4)C3)C2)cc1 ZINC001208947068 813908393 /nfs/dbraw/zinc/90/83/93/813908393.db2.gz YLCSFULFUAXWDR-VIQWUECVSA-N 2 1 284.447 3.240 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001209386425 814009174 /nfs/dbraw/zinc/00/91/74/814009174.db2.gz CSOPXBUWRUZCMO-ALXJQNPVSA-N 2 1 296.499 3.242 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210474993 814479587 /nfs/dbraw/zinc/47/95/87/814479587.db2.gz JZDWCFLWYJWFFH-HNNXBMFYSA-N 2 1 260.425 3.036 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210474993 814479590 /nfs/dbraw/zinc/47/95/90/814479590.db2.gz JZDWCFLWYJWFFH-HNNXBMFYSA-N 2 1 260.425 3.036 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[NH2+][C@@H](C)CC2)c(C)c1C ZINC001210497941 814489977 /nfs/dbraw/zinc/48/99/77/814489977.db2.gz PUKFBNUKJPMCJA-LBPRGKRZSA-N 2 1 274.452 3.413 20 0 CGADMP c1ccc(C[N@H+](CCC2C[NH2+]C2)C2CCCCC2)cc1 ZINC001210580360 814541192 /nfs/dbraw/zinc/54/11/92/814541192.db2.gz INTBNGBQPNAKMJ-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP c1cc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2s1 ZINC001222148762 816360151 /nfs/dbraw/zinc/36/01/51/816360151.db2.gz SPLNJLWKRVYUTO-QGZVFWFLSA-N 2 1 286.444 3.477 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001222254005 816388066 /nfs/dbraw/zinc/38/80/66/816388066.db2.gz UPYURILRPUCJJZ-IBGZPJMESA-N 2 1 284.447 3.283 20 0 CGADMP c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001222254005 816388073 /nfs/dbraw/zinc/38/80/73/816388073.db2.gz UPYURILRPUCJJZ-IBGZPJMESA-N 2 1 284.447 3.283 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222259510 816389885 /nfs/dbraw/zinc/38/98/85/816389885.db2.gz RRBQSGBGRSBQDR-GOSISDBHSA-N 2 1 290.426 3.224 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c[nH]c21 ZINC001222265761 816391813 /nfs/dbraw/zinc/39/18/13/816391813.db2.gz XQGSETHRYHUGRI-IBGZPJMESA-N 2 1 297.446 3.442 20 0 CGADMP C(C[N@H+]1CCC[C@]12CCC[NH2+]CC2)C1CCCC1 ZINC001222308365 816403624 /nfs/dbraw/zinc/40/36/24/816403624.db2.gz JDYAPUJELQIKFL-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222309244 816403676 /nfs/dbraw/zinc/40/36/76/816403676.db2.gz OTPPAJAPYKFRHA-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc2ccccc21 ZINC001222314524 816406149 /nfs/dbraw/zinc/40/61/49/816406149.db2.gz HBOUKSZBKJHGCV-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP COc1c(C)cccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320157 816408581 /nfs/dbraw/zinc/40/85/81/816408581.db2.gz BORNVVFPPKHQJH-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP c1ccc(CCCCC[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335344 816410914 /nfs/dbraw/zinc/41/09/14/816410914.db2.gz HWAOWGCHICVRPC-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222345250 816414151 /nfs/dbraw/zinc/41/41/51/816414151.db2.gz JXPIYGORNVZBJY-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222345250 816414152 /nfs/dbraw/zinc/41/41/52/816414152.db2.gz JXPIYGORNVZBJY-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222465544 816451500 /nfs/dbraw/zinc/45/15/00/816451500.db2.gz TZLBAFXEDMXETB-HYVNUMGLSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222465544 816451507 /nfs/dbraw/zinc/45/15/07/816451507.db2.gz TZLBAFXEDMXETB-HYVNUMGLSA-N 2 1 290.838 3.271 20 0 CGADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001222532094 816462832 /nfs/dbraw/zinc/46/28/32/816462832.db2.gz JYGVIDWDRKFPID-UHFFFAOYSA-N 2 1 291.197 3.256 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)ccc2c1 ZINC001222620422 816479026 /nfs/dbraw/zinc/47/90/26/816479026.db2.gz RODJIVABCXVHJP-ZWKOTPCHSA-N 2 1 266.388 3.024 20 0 CGADMP Clc1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC001222616157 816479230 /nfs/dbraw/zinc/47/92/30/816479230.db2.gz XVKBGRLHXWCKHB-SWLSCSKDSA-N 2 1 299.245 3.220 20 0 CGADMP Clc1ccc(CC[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC001222616157 816479235 /nfs/dbraw/zinc/47/92/35/816479235.db2.gz XVKBGRLHXWCKHB-SWLSCSKDSA-N 2 1 299.245 3.220 20 0 CGADMP CC[C@@H]([NH3+])C[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC001222615703 816479505 /nfs/dbraw/zinc/47/95/05/816479505.db2.gz RYRAJUUINAFOCN-MRXNPFEDSA-N 2 1 272.436 3.094 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620615 816481258 /nfs/dbraw/zinc/48/12/58/816481258.db2.gz WAIBZGHFZKDCLN-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC001222629978 816484220 /nfs/dbraw/zinc/48/42/20/816484220.db2.gz UIQKVFVESAWRSR-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP CCOC(=[NH2+])c1ccc(-c2cccc(C[NH2+]C)c2)cc1 ZINC001242998063 823205228 /nfs/dbraw/zinc/20/52/28/823205228.db2.gz BDPQWIHHZHFKEN-UHFFFAOYSA-N 2 1 268.360 3.435 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224926652 816910344 /nfs/dbraw/zinc/91/03/44/816910344.db2.gz ZHJACVJCTJZUHR-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2ncoc2c1)C1CCN(C)CC1 ZINC001232945654 818481360 /nfs/dbraw/zinc/48/13/60/818481360.db2.gz GRRARLRRNIBWMU-UHFFFAOYSA-N 2 1 287.407 3.132 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234979769 818970477 /nfs/dbraw/zinc/97/04/77/818970477.db2.gz RTLWZDUUPBPFPE-LZQZEXGQSA-N 2 1 286.463 3.140 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994810 818972704 /nfs/dbraw/zinc/97/27/04/818972704.db2.gz SWKRYPIZDJGBRT-AEFFLSMTSA-N 2 1 296.499 3.029 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016866 818980457 /nfs/dbraw/zinc/98/04/57/818980457.db2.gz JFFJGYCPBXWCJX-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016866 818980461 /nfs/dbraw/zinc/98/04/61/818980461.db2.gz JFFJGYCPBXWCJX-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023548 818980485 /nfs/dbraw/zinc/98/04/85/818980485.db2.gz CRDYVXXJAOKBKR-ARJAWSKDSA-N 2 1 250.430 3.198 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001235029859 818982274 /nfs/dbraw/zinc/98/22/74/818982274.db2.gz BBCHSGYVFRZCSO-GOSISDBHSA-N 2 1 272.436 3.040 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235030754 818982448 /nfs/dbraw/zinc/98/24/48/818982448.db2.gz CDWZAIFPQUNNLY-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235030754 818982451 /nfs/dbraw/zinc/98/24/51/818982451.db2.gz CDWZAIFPQUNNLY-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC001235033488 818984035 /nfs/dbraw/zinc/98/40/35/818984035.db2.gz PEOCJYMRNXEZCF-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC001235033488 818984038 /nfs/dbraw/zinc/98/40/38/818984038.db2.gz PEOCJYMRNXEZCF-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041800 818988374 /nfs/dbraw/zinc/98/83/74/818988374.db2.gz SUFUKEWDMLCTBP-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235091461 818998979 /nfs/dbraw/zinc/99/89/79/818998979.db2.gz CDZQPKDAPHJNNS-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001235126592 819011772 /nfs/dbraw/zinc/01/17/72/819011772.db2.gz URIUMSIZHSXTJT-YESZJQIVSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235144136 819014485 /nfs/dbraw/zinc/01/44/85/819014485.db2.gz OUINSGPEGXHFPK-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235144136 819014488 /nfs/dbraw/zinc/01/44/88/819014488.db2.gz OUINSGPEGXHFPK-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP CC/C=C\CC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152936 819018261 /nfs/dbraw/zinc/01/82/61/819018261.db2.gz PZVZZNFHBMJTPO-MJSXRHKHSA-N 2 1 250.430 3.197 20 0 CGADMP CCc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235171334 819022600 /nfs/dbraw/zinc/02/26/00/819022600.db2.gz IYVDONASCJDBFI-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235171334 819022604 /nfs/dbraw/zinc/02/26/04/819022604.db2.gz IYVDONASCJDBFI-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235185390 819028203 /nfs/dbraw/zinc/02/82/03/819028203.db2.gz SONNJQAFWABLAI-KGLIPLIRSA-N 2 1 286.444 3.251 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCCCC23CC[NH2+]CC3)o1 ZINC001235190475 819030188 /nfs/dbraw/zinc/03/01/88/819030188.db2.gz JBGRSDPGJVDSPU-UHFFFAOYSA-N 2 1 276.424 3.129 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3cccc(Oc4ccc(F)cc4)c3)C[C@H]21 ZINC001235209608 819036561 /nfs/dbraw/zinc/03/65/61/819036561.db2.gz DJDLEBXKTMRICS-PIIMJCKOSA-N 2 1 298.361 3.007 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3cccc(Oc4ccc(F)cc4)c3)C[C@H]21 ZINC001235209608 819036570 /nfs/dbraw/zinc/03/65/70/819036570.db2.gz DJDLEBXKTMRICS-PIIMJCKOSA-N 2 1 298.361 3.007 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209403 819036834 /nfs/dbraw/zinc/03/68/34/819036834.db2.gz NWXPJDQORHBWJB-JNXQLMTMSA-N 2 1 250.430 3.197 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209403 819036839 /nfs/dbraw/zinc/03/68/39/819036839.db2.gz NWXPJDQORHBWJB-JNXQLMTMSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235239315 819044952 /nfs/dbraw/zinc/04/49/52/819044952.db2.gz HBIDOSSJJXZTRU-QZTJIDSGSA-N 2 1 272.436 3.166 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2CCC12CC3CC(CC(C3)C1)C2 ZINC001235253169 819049811 /nfs/dbraw/zinc/04/98/11/819049811.db2.gz CGIJTNNFOIWGPI-DSQRIVMPSA-N 2 1 274.452 3.014 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001235253194 819050245 /nfs/dbraw/zinc/05/02/45/819050245.db2.gz CILZVDAIWTXDCS-NVXWUHKLSA-N 2 1 272.436 3.038 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)n1 ZINC001235262931 819055989 /nfs/dbraw/zinc/05/59/89/819055989.db2.gz GSWQYJYZAXFUFV-SFHVURJKSA-N 2 1 297.402 3.082 20 0 CGADMP CCc1cccc(CN2CCC[C@H](Oc3ccncc3)C2)n1 ZINC001235262931 819055999 /nfs/dbraw/zinc/05/59/99/819055999.db2.gz GSWQYJYZAXFUFV-SFHVURJKSA-N 2 1 297.402 3.082 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235276579 819061739 /nfs/dbraw/zinc/06/17/39/819061739.db2.gz ZOIMSDKTCPUFTK-DOTOQJQBSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235276579 819061743 /nfs/dbraw/zinc/06/17/43/819061743.db2.gz ZOIMSDKTCPUFTK-DOTOQJQBSA-N 2 1 288.435 3.048 20 0 CGADMP Clc1ccc(CC[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235338677 819070154 /nfs/dbraw/zinc/07/01/54/819070154.db2.gz BVGIWQZZQWHOLM-GFCCVEGCSA-N 2 1 299.245 3.077 20 0 CGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCCc1ccccc1)C2 ZINC001235399398 819084911 /nfs/dbraw/zinc/08/49/11/819084911.db2.gz AYINTRYTRGQBOH-ZWKOTPCHSA-N 2 1 290.426 3.033 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCC1CCCCC1)C2 ZINC001235405462 819088323 /nfs/dbraw/zinc/08/83/23/819088323.db2.gz PAEFYELEXMDTCH-IAGOWNOFSA-N 2 1 282.447 3.370 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235429530 819094208 /nfs/dbraw/zinc/09/42/08/819094208.db2.gz ZCFOYDPMQVBWGD-IAGOWNOFSA-N 2 1 290.426 3.080 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427748 819094689 /nfs/dbraw/zinc/09/46/89/819094689.db2.gz SZPFVGDYBFZYGO-OPCNFVSTSA-N 2 1 264.457 3.444 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001235435282 819097216 /nfs/dbraw/zinc/09/72/16/819097216.db2.gz GUEUUDFBNLODTH-UHFFFAOYSA-N 2 1 296.720 3.019 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1ccc(-c2ccccc2Cl)o1 ZINC001235435675 819097637 /nfs/dbraw/zinc/09/76/37/819097637.db2.gz UJZGZKVTYBSYIF-UHFFFAOYSA-N 2 1 278.783 3.381 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccccc2Cl)o1 ZINC001235435675 819097645 /nfs/dbraw/zinc/09/76/45/819097645.db2.gz UJZGZKVTYBSYIF-UHFFFAOYSA-N 2 1 278.783 3.381 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)Cc1ccccc1-2)C1CC[NH2+]CC1 ZINC001235465389 819106480 /nfs/dbraw/zinc/10/64/80/819106480.db2.gz IXBKHAXLUUXCOT-UHFFFAOYSA-N 2 1 292.426 3.442 20 0 CGADMP C[N@@H+](Cc1ccc(Cc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC001235467509 819106612 /nfs/dbraw/zinc/10/66/12/819106612.db2.gz ZZTTZUDFGDLFRH-UHFFFAOYSA-N 2 1 294.442 3.461 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@H](C[NH3+])C2)C1(C)C ZINC001235673578 819133927 /nfs/dbraw/zinc/13/39/27/819133927.db2.gz OVNGKRSZORJFKC-CABCVRRESA-N 2 1 250.430 3.040 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001235674102 819135141 /nfs/dbraw/zinc/13/51/41/819135141.db2.gz LNPXMDISDXZYRF-CQSZACIVSA-N 2 1 252.789 3.216 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2c(F)cc(F)cc2Cl)CC1 ZINC001235680294 819139408 /nfs/dbraw/zinc/13/94/08/819139408.db2.gz USWVYQZKJXDXRB-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP CCC[C@@H]1CCCC[N@@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235693816 819143398 /nfs/dbraw/zinc/14/33/98/819143398.db2.gz HNOGTWXCBREQLU-BFHYXJOUSA-N 2 1 274.399 3.132 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235693816 819143402 /nfs/dbraw/zinc/14/34/02/819143402.db2.gz HNOGTWXCBREQLU-BFHYXJOUSA-N 2 1 274.399 3.132 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)s1 ZINC001235710860 819147137 /nfs/dbraw/zinc/14/71/37/819147137.db2.gz ITCKULNGMIOJLI-UHFFFAOYSA-N 2 1 278.465 3.276 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)s1 ZINC001235710860 819147139 /nfs/dbraw/zinc/14/71/39/819147139.db2.gz ITCKULNGMIOJLI-UHFFFAOYSA-N 2 1 278.465 3.276 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711185 819148328 /nfs/dbraw/zinc/14/83/28/819148328.db2.gz LHZXVFZYRDETPV-UHFFFAOYSA-N 2 1 272.436 3.038 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2)o1 ZINC001235713778 819148402 /nfs/dbraw/zinc/14/84/02/819148402.db2.gz PPXMYBRUCVMZOU-UHFFFAOYSA-N 2 1 296.414 3.440 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2)o1 ZINC001235713778 819148407 /nfs/dbraw/zinc/14/84/07/819148407.db2.gz PPXMYBRUCVMZOU-UHFFFAOYSA-N 2 1 296.414 3.440 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Cl)cc1F ZINC001235714530 819150247 /nfs/dbraw/zinc/15/02/47/819150247.db2.gz MPIOWUIJJPNCIU-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001235724003 819152385 /nfs/dbraw/zinc/15/23/85/819152385.db2.gz BJAMVIHNVYGKGC-ZDUSSCGKSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001235724003 819152388 /nfs/dbraw/zinc/15/23/88/819152388.db2.gz BJAMVIHNVYGKGC-ZDUSSCGKSA-N 2 1 286.341 3.061 20 0 CGADMP CC[C@@H]1CCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235725208 819153536 /nfs/dbraw/zinc/15/35/36/819153536.db2.gz JUGGESGWCURIBU-MRXNPFEDSA-N 2 1 283.419 3.119 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001235749103 819160571 /nfs/dbraw/zinc/16/05/71/819160571.db2.gz HIRKZYOMSFVRGM-DOTOQJQBSA-N 2 1 274.452 3.269 20 0 CGADMP CCCCCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235842601 819184493 /nfs/dbraw/zinc/18/44/93/819184493.db2.gz POXCYYQMNKFXHX-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929113 819227293 /nfs/dbraw/zinc/22/72/93/819227293.db2.gz IFTGXLLVMVDFFA-ROIMYGTQSA-N 2 1 288.479 3.134 20 0 CGADMP COCCC[N@@H+](CC1(C)CCCCC1)C1CC[NH2+]CC1 ZINC001235937801 819232156 /nfs/dbraw/zinc/23/21/56/819232156.db2.gz QUNNQYONCQUQOI-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235941028 819234391 /nfs/dbraw/zinc/23/43/91/819234391.db2.gz ULLQTBNLVVMSTI-KGLIPLIRSA-N 2 1 286.444 3.251 20 0 CGADMP C[C@@H](CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1)CC(C)(C)C ZINC001235950665 819241571 /nfs/dbraw/zinc/24/15/71/819241571.db2.gz KYPKMDOAPGFIPU-LSDHHAIUSA-N 2 1 254.462 3.380 20 0 CGADMP COc1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])ccc2c1 ZINC001235958224 819245081 /nfs/dbraw/zinc/24/50/81/819245081.db2.gz AGPDGLSMEWCXCQ-IZZQQSIFSA-N 2 1 296.414 3.018 20 0 CGADMP COc1ccccc1[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC001235961649 819250390 /nfs/dbraw/zinc/25/03/90/819250390.db2.gz CZKOBBPYUHSNQJ-HUUCEWRRSA-N 2 1 276.424 3.220 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC001235961649 819250398 /nfs/dbraw/zinc/25/03/98/819250398.db2.gz CZKOBBPYUHSNQJ-HUUCEWRRSA-N 2 1 276.424 3.220 20 0 CGADMP CCC(CC)[N@@H+](CC)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235964082 819252539 /nfs/dbraw/zinc/25/25/39/819252539.db2.gz ZBUDELHSZSCKAT-UHFFFAOYSA-N 2 1 289.467 3.107 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980955 819257188 /nfs/dbraw/zinc/25/71/88/819257188.db2.gz SOWSDAFNDRMSOP-UKRRQHHQSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980955 819257193 /nfs/dbraw/zinc/25/71/93/819257193.db2.gz SOWSDAFNDRMSOP-UKRRQHHQSA-N 2 1 298.352 3.061 20 0 CGADMP CC[N@H+](Cc1cccc2ccoc21)[C@H]1CCC[NH2+]C1 ZINC001236010366 819274042 /nfs/dbraw/zinc/27/40/42/819274042.db2.gz QQOUBPYXUDJYHI-HNNXBMFYSA-N 2 1 258.365 3.007 20 0 CGADMP CC[N@@H+](Cc1cccc2ccoc21)[C@H]1CCC[NH2+]C1 ZINC001236010366 819274050 /nfs/dbraw/zinc/27/40/50/819274050.db2.gz QQOUBPYXUDJYHI-HNNXBMFYSA-N 2 1 258.365 3.007 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cs1 ZINC001236010609 819274385 /nfs/dbraw/zinc/27/43/85/819274385.db2.gz NJQSUJYYZFMSHV-MSOLQXFVSA-N 2 1 298.455 3.030 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cs1 ZINC001236010609 819274389 /nfs/dbraw/zinc/27/43/89/819274389.db2.gz NJQSUJYYZFMSHV-MSOLQXFVSA-N 2 1 298.455 3.030 20 0 CGADMP c1cc2n(c1C[N@H+]1CCC[C@H]1C1CCCCC1)CC[NH2+]C2 ZINC001236042570 819280993 /nfs/dbraw/zinc/28/09/93/819280993.db2.gz RCNRPAIYMJDEIT-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c(C)c1C ZINC001236046723 819284176 /nfs/dbraw/zinc/28/41/76/819284176.db2.gz HTVVAIOKIDWTDS-GTNSWQLSSA-N 2 1 274.452 3.398 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c(C)c1C ZINC001236046723 819284179 /nfs/dbraw/zinc/28/41/79/819284179.db2.gz HTVVAIOKIDWTDS-GTNSWQLSSA-N 2 1 274.452 3.398 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059329 819293005 /nfs/dbraw/zinc/29/30/05/819293005.db2.gz FEYYPQZWNMGXRB-PMPSAXMXSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059329 819293012 /nfs/dbraw/zinc/29/30/12/819293012.db2.gz FEYYPQZWNMGXRB-PMPSAXMXSA-N 2 1 250.430 3.053 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC001236066381 819297820 /nfs/dbraw/zinc/29/78/20/819297820.db2.gz IHRRVLALEVKKIO-INIZCTEOSA-N 2 1 274.452 3.416 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC001236100406 819317730 /nfs/dbraw/zinc/31/77/30/819317730.db2.gz HDJJHWSAMPXHIL-INIZCTEOSA-N 2 1 295.430 3.241 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC001236100406 819317735 /nfs/dbraw/zinc/31/77/35/819317735.db2.gz HDJJHWSAMPXHIL-INIZCTEOSA-N 2 1 295.430 3.241 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccccc1SC ZINC001236108085 819323934 /nfs/dbraw/zinc/32/39/34/819323934.db2.gz ILTYPFNGCUPMQG-CQSZACIVSA-N 2 1 264.438 3.155 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+](C)CCCC[NH3+])c1Cl ZINC001236142377 819343109 /nfs/dbraw/zinc/34/31/09/819343109.db2.gz WTPOLTKLPMAMRZ-UHFFFAOYSA-N 2 1 275.223 3.473 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+](C)CCCC[NH3+])c1Cl ZINC001236142377 819343117 /nfs/dbraw/zinc/34/31/17/819343117.db2.gz WTPOLTKLPMAMRZ-UHFFFAOYSA-N 2 1 275.223 3.473 20 0 CGADMP CCC[N@@H+](Cc1cccc2ccoc21)C1CC[NH2+]CC1 ZINC001236185084 819358929 /nfs/dbraw/zinc/35/89/29/819358929.db2.gz VTYFZOKITKVEIL-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP CCC[N@@H+](Cc1ccc2c(ccn2C)c1)C1CC[NH2+]CC1 ZINC001236181699 819360859 /nfs/dbraw/zinc/36/08/59/819360859.db2.gz BGWLGYPDOJYCQN-UHFFFAOYSA-N 2 1 285.435 3.142 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CC[C@H]1C[NH2+]CCO1 ZINC001236189320 819362581 /nfs/dbraw/zinc/36/25/81/819362581.db2.gz LLKULNLAMJYPCM-WBVHZDCISA-N 2 1 298.430 3.211 20 0 CGADMP CC1(C[N@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]CC1 ZINC001236189832 819363204 /nfs/dbraw/zinc/36/32/04/819363204.db2.gz OVVURWDECGAVQN-HNNXBMFYSA-N 2 1 294.389 3.491 20 0 CGADMP C[N@H+](Cc1ccccc1-n1cccc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215399 819378581 /nfs/dbraw/zinc/37/85/81/819378581.db2.gz HTRUKEUTEWOYTD-WMZOPIPTSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](Cc1ccccc1-n1cccc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215399 819378587 /nfs/dbraw/zinc/37/85/87/819378587.db2.gz HTRUKEUTEWOYTD-WMZOPIPTSA-N 2 1 283.419 3.179 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2-n2cccc2)CC1 ZINC001236215962 819379647 /nfs/dbraw/zinc/37/96/47/819379647.db2.gz UQSWWXVMSUADFR-UHFFFAOYSA-N 2 1 297.446 3.440 20 0 CGADMP CCn1ccc2ccc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc21 ZINC001236218671 819383537 /nfs/dbraw/zinc/38/35/37/819383537.db2.gz SUEQLBIPWGEQLP-IRXDYDNUSA-N 2 1 285.435 3.363 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc21 ZINC001236218671 819383543 /nfs/dbraw/zinc/38/35/43/819383543.db2.gz SUEQLBIPWGEQLP-IRXDYDNUSA-N 2 1 285.435 3.363 20 0 CGADMP Cc1nc2cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])ccc2s1 ZINC001236218964 819386830 /nfs/dbraw/zinc/38/68/30/819386830.db2.gz TZHQNPBXFIJNSL-ZFWWWQNUSA-N 2 1 289.448 3.306 20 0 CGADMP Cc1nc2cc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])ccc2s1 ZINC001236218964 819386833 /nfs/dbraw/zinc/38/68/33/819386833.db2.gz TZHQNPBXFIJNSL-ZFWWWQNUSA-N 2 1 289.448 3.306 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@@H+](C)C2(C)CC[NH2+]CC2)CC1 ZINC001236223460 819389439 /nfs/dbraw/zinc/38/94/39/819389439.db2.gz NSMHQGHCZOJJLY-HUUCEWRRSA-N 2 1 250.430 3.053 20 0 CGADMP CCSc1ccccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228598 819390422 /nfs/dbraw/zinc/39/04/22/819390422.db2.gz WVZXLGLMYWENEN-UHFFFAOYSA-N 2 1 278.465 3.373 20 0 CGADMP CCSc1ccccc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228598 819390429 /nfs/dbraw/zinc/39/04/29/819390429.db2.gz WVZXLGLMYWENEN-UHFFFAOYSA-N 2 1 278.465 3.373 20 0 CGADMP c1c(C[N@H+](CC2CC2)C2CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001236254355 819406668 /nfs/dbraw/zinc/40/66/68/819406668.db2.gz ZXOVNYITUUZVOM-UHFFFAOYSA-N 2 1 295.430 3.119 20 0 CGADMP CS[C@H](C)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372613 819441421 /nfs/dbraw/zinc/44/14/21/819441421.db2.gz QWZGXVUYZYDYSY-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409410 819456340 /nfs/dbraw/zinc/45/63/40/819456340.db2.gz UQPIYMJZRBLFRE-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409410 819456344 /nfs/dbraw/zinc/45/63/44/819456344.db2.gz UQPIYMJZRBLFRE-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CCSc1ccccc1C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236409736 819457154 /nfs/dbraw/zinc/45/71/54/819457154.db2.gz CZQNZMSZTLXQRZ-CQSZACIVSA-N 2 1 278.465 3.230 20 0 CGADMP CC[N@@H+](Cc1ccccc1OC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236409727 819457494 /nfs/dbraw/zinc/45/74/94/819457494.db2.gz CWRXQEQPUUNABL-OAHLLOKOSA-N 2 1 290.451 3.295 20 0 CGADMP CC[N@H+](Cc1ccccc1OC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236409727 819457499 /nfs/dbraw/zinc/45/74/99/819457499.db2.gz CWRXQEQPUUNABL-OAHLLOKOSA-N 2 1 290.451 3.295 20 0 CGADMP CC[N@@H+](Cc1c(Cl)[nH]c2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236410392 819457952 /nfs/dbraw/zinc/45/79/52/819457952.db2.gz ZQRLZZIJVQBSJY-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP CC[N@H+](Cc1c(Cl)[nH]c2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236410392 819457956 /nfs/dbraw/zinc/45/79/56/819457956.db2.gz ZQRLZZIJVQBSJY-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413036 819458941 /nfs/dbraw/zinc/45/89/41/819458941.db2.gz NEIAQXKIXILYQK-BWTSREIZSA-N 2 1 296.389 3.142 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413036 819458943 /nfs/dbraw/zinc/45/89/43/819458943.db2.gz NEIAQXKIXILYQK-BWTSREIZSA-N 2 1 296.389 3.142 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236415668 819461133 /nfs/dbraw/zinc/46/11/33/819461133.db2.gz PHJSTDUNOGOZBV-WXYCVUISSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236415668 819461138 /nfs/dbraw/zinc/46/11/38/819461138.db2.gz PHJSTDUNOGOZBV-WXYCVUISSA-N 2 1 278.827 3.255 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236417047 819462079 /nfs/dbraw/zinc/46/20/79/819462079.db2.gz WPKCVJLTWYHFNB-CVEARBPZSA-N 2 1 298.471 3.092 20 0 CGADMP COc1ccccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457457 819486131 /nfs/dbraw/zinc/48/61/31/819486131.db2.gz KXSZWTFKGCJQHQ-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)[N@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]C1 ZINC001236468491 819489883 /nfs/dbraw/zinc/48/98/83/819489883.db2.gz GVYRWAUMHPHGTC-GOSISDBHSA-N 2 1 272.436 3.138 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]C1 ZINC001236468491 819489889 /nfs/dbraw/zinc/48/98/89/819489889.db2.gz GVYRWAUMHPHGTC-GOSISDBHSA-N 2 1 272.436 3.138 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCCCO)C2CCCCC2)CC1 ZINC001236565882 819538069 /nfs/dbraw/zinc/53/80/69/819538069.db2.gz QYMBDIOSGHFPID-JCNLHEQBSA-N 2 1 282.472 3.054 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236605442 819550797 /nfs/dbraw/zinc/55/07/97/819550797.db2.gz UOQFHMAIXLFUIM-LJQANCHMSA-N 2 1 298.430 3.409 20 0 CGADMP c1cc2c(cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1)NCCC2 ZINC001236601927 819550827 /nfs/dbraw/zinc/55/08/27/819550827.db2.gz QEMNNSPIPIJBJL-INIZCTEOSA-N 2 1 299.462 3.009 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc4occc43)C[C@@H]2C1 ZINC001236738986 819588919 /nfs/dbraw/zinc/58/89/19/819588919.db2.gz KBHBXWPUSLXDKP-HOTGVXAUSA-N 2 1 284.403 3.206 20 0 CGADMP [NH3+]CCCCC[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754186 819590621 /nfs/dbraw/zinc/59/06/21/819590621.db2.gz DLYAIFOQSRGCSK-IYARVYRRSA-N 3 1 295.515 3.268 20 0 CGADMP Cc1c(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Cl ZINC001236829526 819609792 /nfs/dbraw/zinc/60/97/92/819609792.db2.gz KXWUZAFPGPRRFX-OFQRWUPVSA-N 2 1 278.827 3.126 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001236832353 819611135 /nfs/dbraw/zinc/61/11/35/819611135.db2.gz VAYXSYMATAUICH-KSZLIROESA-N 2 1 272.436 3.198 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236832960 819611995 /nfs/dbraw/zinc/61/19/95/819611995.db2.gz XXUVHRMXFVFBKX-KFKAGJAMSA-N 2 1 280.415 3.317 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)c(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236834825 819614435 /nfs/dbraw/zinc/61/44/35/819614435.db2.gz INNSHGCGNMQWRT-INIZCTEOSA-N 2 1 290.451 3.134 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236836563 819616763 /nfs/dbraw/zinc/61/67/63/819616763.db2.gz XKZSUPLNIAHFDF-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236836563 819616768 /nfs/dbraw/zinc/61/67/68/819616768.db2.gz XKZSUPLNIAHFDF-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236843765 819618392 /nfs/dbraw/zinc/61/83/92/819618392.db2.gz QVMKVFHUOUUWBC-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1c(C)cc(F)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236841939 819619148 /nfs/dbraw/zinc/61/91/48/819619148.db2.gz BBGOJBXDIPUOFG-HNNXBMFYSA-N 2 1 278.415 3.264 20 0 CGADMP CCC[N@@H+](Cc1cccc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236842263 819619286 /nfs/dbraw/zinc/61/92/86/819619286.db2.gz DBSSVMCDYQRMDV-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1cccc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236842263 819619287 /nfs/dbraw/zinc/61/92/87/819619287.db2.gz DBSSVMCDYQRMDV-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237058402 819655903 /nfs/dbraw/zinc/65/59/03/819655903.db2.gz PMXVKQFGXBYCSY-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001237059866 819655978 /nfs/dbraw/zinc/65/59/78/819655978.db2.gz WRIHHXMJJROPIT-SFHVURJKSA-N 2 1 268.404 3.401 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001237059319 819657095 /nfs/dbraw/zinc/65/70/95/819657095.db2.gz SOWIHUYVGAWMPY-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001237059319 819657098 /nfs/dbraw/zinc/65/70/98/819657098.db2.gz SOWIHUYVGAWMPY-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237146089 819678658 /nfs/dbraw/zinc/67/86/58/819678658.db2.gz QYEOJEMDGLDQSJ-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237146089 819678660 /nfs/dbraw/zinc/67/86/60/819678660.db2.gz QYEOJEMDGLDQSJ-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001237325876 819728304 /nfs/dbraw/zinc/72/83/04/819728304.db2.gz BCHAVLCPQIUOBU-UHFFFAOYSA-N 2 1 274.452 3.331 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381804 819737652 /nfs/dbraw/zinc/73/76/52/819737652.db2.gz KDCRXOPCFFIEKQ-RBUKOAKNSA-N 2 1 286.463 3.426 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237380112 819738717 /nfs/dbraw/zinc/73/87/17/819738717.db2.gz FJCZSTDLYBTQKI-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237380112 819738719 /nfs/dbraw/zinc/73/87/19/819738719.db2.gz FJCZSTDLYBTQKI-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237387946 819741679 /nfs/dbraw/zinc/74/16/79/819741679.db2.gz CHSOUWCFYJRMDS-WMZOPIPTSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237387946 819741681 /nfs/dbraw/zinc/74/16/81/819741681.db2.gz CHSOUWCFYJRMDS-WMZOPIPTSA-N 2 1 288.435 3.048 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237393926 819741736 /nfs/dbraw/zinc/74/17/36/819741736.db2.gz UKPFNLGKDRIDHN-SJLPKXTDSA-N 2 1 295.430 3.117 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237393926 819741738 /nfs/dbraw/zinc/74/17/38/819741738.db2.gz UKPFNLGKDRIDHN-SJLPKXTDSA-N 2 1 295.430 3.117 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395562 819743806 /nfs/dbraw/zinc/74/38/06/819743806.db2.gz XSHCVXKPCBRTHK-GDBMZVCRSA-N 2 1 270.376 3.007 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395562 819743808 /nfs/dbraw/zinc/74/38/08/819743808.db2.gz XSHCVXKPCBRTHK-GDBMZVCRSA-N 2 1 270.376 3.007 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237404253 819744715 /nfs/dbraw/zinc/74/47/15/819744715.db2.gz NMWCUBUNNXFBDV-SJLPKXTDSA-N 2 1 272.436 3.384 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237513942 819766733 /nfs/dbraw/zinc/76/67/33/819766733.db2.gz NHDUOCAXMSFICB-ZBFHGGJFSA-N 2 1 298.405 3.362 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237513942 819766739 /nfs/dbraw/zinc/76/67/39/819766739.db2.gz NHDUOCAXMSFICB-ZBFHGGJFSA-N 2 1 298.405 3.362 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237513942 819766746 /nfs/dbraw/zinc/76/67/46/819766746.db2.gz NHDUOCAXMSFICB-ZBFHGGJFSA-N 2 1 298.405 3.362 20 0 CGADMP CC[NH+](CC)CCn1cc(-c2c(C)cc(C)[nH+]c2C)cn1 ZINC001239215917 820234109 /nfs/dbraw/zinc/23/41/09/820234109.db2.gz LURQLCVSNRWLFL-UHFFFAOYSA-N 2 1 286.423 3.212 20 0 CGADMP Cc1ccc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001239963880 820743235 /nfs/dbraw/zinc/74/32/35/820743235.db2.gz LAKWVVVUPDOGHK-UHFFFAOYSA-N 2 1 281.334 3.136 20 0 CGADMP Cc1ccc(C[NH+]2CCCC2)cc1C1=CCC[N@H+](C)C1 ZINC001241571632 821958662 /nfs/dbraw/zinc/95/86/62/821958662.db2.gz BGYBNDDRLYMRSQ-UHFFFAOYSA-N 2 1 270.420 3.310 20 0 CGADMP Cc1cc(-c2ccc(OCC[NH+](C)C)cc2)cn2cc[nH+]c12 ZINC001242150647 822895291 /nfs/dbraw/zinc/89/52/91/822895291.db2.gz NQLRYRHWLDMTAM-UHFFFAOYSA-N 2 1 295.386 3.250 20 0 CGADMP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001338269714 936314101 /nfs/dbraw/zinc/31/41/01/936314101.db2.gz OLEXIPKUYJRZNN-AWEZNQCLSA-N 2 1 284.407 3.417 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)CCCC(F)(F)F ZINC001343170121 936490088 /nfs/dbraw/zinc/49/00/88/936490088.db2.gz LGQPQSVXIRKUID-UHFFFAOYSA-N 2 1 266.351 3.137 20 0 CGADMP Cc1sccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343333845 936495208 /nfs/dbraw/zinc/49/52/08/936495208.db2.gz PUFJYZALJMQGHX-JYJNAYRXSA-N 2 1 278.465 3.219 20 0 CGADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001350399620 936990831 /nfs/dbraw/zinc/99/08/31/936990831.db2.gz XDKWXMNSBBVMNK-IAGOWNOFSA-N 2 1 272.436 3.440 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CCC[NH2+]C2)c1 ZINC001352788315 937049431 /nfs/dbraw/zinc/04/94/31/937049431.db2.gz OKIMXNZZRJNNGJ-ROUUACIJSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001354019881 937086765 /nfs/dbraw/zinc/08/67/65/937086765.db2.gz XIAVOVSAYFWVSL-CVEARBPZSA-N 2 1 273.424 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001355263271 937133230 /nfs/dbraw/zinc/13/32/30/937133230.db2.gz JMFGRVVUZPFBMT-CDMIUOQYSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001355263271 937133233 /nfs/dbraw/zinc/13/32/33/937133233.db2.gz JMFGRVVUZPFBMT-CDMIUOQYSA-N 2 1 294.389 3.283 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC001308847121 928548398 /nfs/dbraw/zinc/54/83/98/928548398.db2.gz BKUOLLDBFPJTBQ-LSDHHAIUSA-N 2 1 286.529 3.474 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648162 937538456 /nfs/dbraw/zinc/53/84/56/937538456.db2.gz CAZGFLQKVDWUFT-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648162 937538458 /nfs/dbraw/zinc/53/84/58/937538458.db2.gz CAZGFLQKVDWUFT-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648162 937538460 /nfs/dbraw/zinc/53/84/60/937538460.db2.gz CAZGFLQKVDWUFT-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648162 937538462 /nfs/dbraw/zinc/53/84/62/937538462.db2.gz CAZGFLQKVDWUFT-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(C)C)CC[C@H]21 ZINC001460648162 937538465 /nfs/dbraw/zinc/53/84/65/937538465.db2.gz CAZGFLQKVDWUFT-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163485701 932003221 /nfs/dbraw/zinc/00/32/21/932003221.db2.gz ZLKOUUIITVGBER-HOCLYGCPSA-N 2 1 274.452 3.401 20 0 CGADMP C[C@H](c1cccc(OC2CC[NH+](CCF)CC2)c1)[NH+](C)C ZINC001229624160 932179919 /nfs/dbraw/zinc/17/99/19/932179919.db2.gz AOZDONPUYZQHEV-CQSZACIVSA-N 2 1 294.414 3.122 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC001461365875 937577932 /nfs/dbraw/zinc/57/79/32/937577932.db2.gz SYNPVZRYBQXDSG-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461487518 937583098 /nfs/dbraw/zinc/58/30/98/937583098.db2.gz LKHFBOPMRQZZCH-QAPCUYQASA-N 2 1 274.452 3.252 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461487518 937583100 /nfs/dbraw/zinc/58/31/00/937583100.db2.gz LKHFBOPMRQZZCH-QAPCUYQASA-N 2 1 274.452 3.252 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461569222 937586596 /nfs/dbraw/zinc/58/65/96/937586596.db2.gz YBXGMZIWFFRLKZ-GOSISDBHSA-N 2 1 286.463 3.398 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461569222 937586598 /nfs/dbraw/zinc/58/65/98/937586598.db2.gz YBXGMZIWFFRLKZ-GOSISDBHSA-N 2 1 286.463 3.398 20 0 CGADMP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001461830557 937600618 /nfs/dbraw/zinc/60/06/18/937600618.db2.gz PPCOXYFIXOLTMZ-IPMKNSEASA-N 2 1 286.463 3.315 20 0 CGADMP C[N@H+](Cc1ccc2c(c1)CCCC2)C[C@H]1CCC[NH+](C)C1 ZINC001461887466 937603694 /nfs/dbraw/zinc/60/36/94/937603694.db2.gz JHWHNZAVCFXGAN-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP C[NH+](Cc1ccc2c(c1)CCCC2)C[C@H]1CCC[N@H+](C)C1 ZINC001461887466 937603696 /nfs/dbraw/zinc/60/36/96/937603696.db2.gz JHWHNZAVCFXGAN-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP C[NH+](Cc1ccc2c(c1)CCCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC001461887466 937603698 /nfs/dbraw/zinc/60/36/98/937603698.db2.gz JHWHNZAVCFXGAN-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP CCC(CC)C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336887922 932825227 /nfs/dbraw/zinc/82/52/27/932825227.db2.gz GGRBMFVFVFPIOF-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@](C)(C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)OC ZINC001462522877 937647293 /nfs/dbraw/zinc/64/72/93/937647293.db2.gz KNHCORGGNXLPNR-QGZVFWFLSA-N 2 1 284.488 3.101 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC001308252255 933081951 /nfs/dbraw/zinc/08/19/51/933081951.db2.gz UFWYLWAAPPUGSA-DLBZAZTESA-N 2 1 294.483 3.047 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001308422444 933109398 /nfs/dbraw/zinc/10/93/98/933109398.db2.gz KHABETORERGZIW-HUUCEWRRSA-N 2 1 275.440 3.454 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001308433720 933110438 /nfs/dbraw/zinc/11/04/38/933110438.db2.gz ONTHFGIJXVXMCH-HZPDHXFCSA-N 2 1 264.457 3.443 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001308433720 933110441 /nfs/dbraw/zinc/11/04/41/933110441.db2.gz ONTHFGIJXVXMCH-HZPDHXFCSA-N 2 1 264.457 3.443 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2CC2CCCC2)CC1 ZINC001308842464 933188111 /nfs/dbraw/zinc/18/81/11/933188111.db2.gz UJOXKUOPZOPVCS-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC001308864012 933192523 /nfs/dbraw/zinc/19/25/23/933192523.db2.gz OXKUSVXAYDWKDT-INIZCTEOSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1cccc(Cl)c1 ZINC001308983349 933221679 /nfs/dbraw/zinc/22/16/79/933221679.db2.gz CLUQPQJCFVDYLM-NQZOLGFYSA-N 2 1 292.854 3.373 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)[C@@H]2C1 ZINC001308985245 933222394 /nfs/dbraw/zinc/22/23/94/933222394.db2.gz YQKWLMBMUYYLNK-WEVKCVHISA-N 2 1 276.468 3.275 20 0 CGADMP CCOc1ccccc1[C@@H](C)NC[C@H]1CCC[N@@H+](CC)C1 ZINC001319190900 933839768 /nfs/dbraw/zinc/83/97/68/933839768.db2.gz UFVUUXNKUGIVAH-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC001319190900 933839775 /nfs/dbraw/zinc/83/97/75/933839775.db2.gz UFVUUXNKUGIVAH-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319395802 933868180 /nfs/dbraw/zinc/86/81/80/933868180.db2.gz YJKKDDSNGLSRQH-SNPRPXQTSA-N 2 1 266.454 3.142 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC)C2)s1 ZINC001319755776 933927574 /nfs/dbraw/zinc/92/75/74/933927574.db2.gz SWWYZJNQRLPGIU-TZMCWYRMSA-N 2 1 295.496 3.396 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001320072644 933993130 /nfs/dbraw/zinc/99/31/30/933993130.db2.gz SZIZMXJLHQIMCV-QDIHITRGSA-N 2 1 252.446 3.418 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001320261056 934021682 /nfs/dbraw/zinc/02/16/82/934021682.db2.gz GGUZCIXLRZXOIR-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001320261056 934021686 /nfs/dbraw/zinc/02/16/86/934021686.db2.gz GGUZCIXLRZXOIR-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2c(F)cccc2Cl)CC[N@H+]1C ZINC001320578987 934068905 /nfs/dbraw/zinc/06/89/05/934068905.db2.gz ZNCHDUIUJHWPEO-RYUDHWBXSA-N 2 1 284.806 3.094 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001474757098 934176994 /nfs/dbraw/zinc/17/69/94/934176994.db2.gz QBMQJEDJDFHDSP-GBESFXJTSA-N 2 1 286.463 3.282 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC001322634788 934322916 /nfs/dbraw/zinc/32/29/16/934322916.db2.gz ZAEJQECDKCSPJV-DOTOQJQBSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485289 934400968 /nfs/dbraw/zinc/40/09/68/934400968.db2.gz GMMMMKWQTWWGID-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485289 934400977 /nfs/dbraw/zinc/40/09/77/934400977.db2.gz GMMMMKWQTWWGID-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485289 934400979 /nfs/dbraw/zinc/40/09/79/934400979.db2.gz GMMMMKWQTWWGID-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485289 934400987 /nfs/dbraw/zinc/40/09/87/934400987.db2.gz GMMMMKWQTWWGID-GUYCJALGSA-N 2 1 276.399 3.087 20 0 CGADMP CC[C@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473133661 937794012 /nfs/dbraw/zinc/79/40/12/937794012.db2.gz ZPHIIDUEIUNPIQ-DOTOQJQBSA-N 2 1 266.473 3.476 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC001325218122 934896137 /nfs/dbraw/zinc/89/61/37/934896137.db2.gz TXTKRRGROFGPJE-OAGGEKHMSA-N 2 1 270.436 3.226 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001473713481 937818695 /nfs/dbraw/zinc/81/86/95/937818695.db2.gz SOSDESZLKBBPMC-HCXYKTFWSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001473713481 937818697 /nfs/dbraw/zinc/81/86/97/937818697.db2.gz SOSDESZLKBBPMC-HCXYKTFWSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001473713481 937818699 /nfs/dbraw/zinc/81/86/99/937818699.db2.gz SOSDESZLKBBPMC-HCXYKTFWSA-N 2 1 284.447 3.206 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC001473725854 937819130 /nfs/dbraw/zinc/81/91/30/937819130.db2.gz WLCOWVAXQNJEMD-RTBURBONSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC001473725854 937819132 /nfs/dbraw/zinc/81/91/32/937819132.db2.gz WLCOWVAXQNJEMD-RTBURBONSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC001473725854 937819134 /nfs/dbraw/zinc/81/91/34/937819134.db2.gz WLCOWVAXQNJEMD-RTBURBONSA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC001473725854 937819136 /nfs/dbraw/zinc/81/91/36/937819136.db2.gz WLCOWVAXQNJEMD-RTBURBONSA-N 2 1 286.463 3.411 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC001329023751 935179363 /nfs/dbraw/zinc/17/93/63/935179363.db2.gz NUZJEEDDRKGUAE-GHMZBOCLSA-N 2 1 283.485 3.398 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3c2NCCC3)CC1 ZINC001331546400 935391451 /nfs/dbraw/zinc/39/14/51/935391451.db2.gz DONVAWLQLVVQFM-UHFFFAOYSA-N 2 1 299.462 3.105 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC001332386725 935464076 /nfs/dbraw/zinc/46/40/76/935464076.db2.gz WSDOFBKCCLAJCR-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2CF)CC1 ZINC001333483725 935540101 /nfs/dbraw/zinc/54/01/01/935540101.db2.gz MFESNWOAULZSOM-MRXNPFEDSA-N 2 1 264.388 3.072 20 0 CGADMP C[C@H](C[NH2+]CCCC(F)(F)F)[N@@H+]1CCCC[C@@H]1C ZINC001334152706 936087487 /nfs/dbraw/zinc/08/74/87/936087487.db2.gz AXLKXSHMSCNHPN-NWDGAFQWSA-N 2 1 266.351 3.181 20 0 CGADMP C[C@H](C[NH2+]CCCC(F)(F)F)[N@H+]1CCCC[C@@H]1C ZINC001334152706 936087492 /nfs/dbraw/zinc/08/74/92/936087492.db2.gz AXLKXSHMSCNHPN-NWDGAFQWSA-N 2 1 266.351 3.181 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc[nH+]cc2)cc1 ZINC001336391744 936191635 /nfs/dbraw/zinc/19/16/35/936191635.db2.gz LZLLAKWWMBRNFO-MRXNPFEDSA-N 2 1 295.430 3.490 20 0 CGADMP FC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001473749531 937820692 /nfs/dbraw/zinc/82/06/92/937820692.db2.gz ASLIHYZJMKRKSS-SFHVURJKSA-N 2 1 290.426 3.464 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C2CCCC2)C1 ZINC001473886754 937827778 /nfs/dbraw/zinc/82/77/78/937827778.db2.gz IONSESLNGKLNHK-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001473886754 937827779 /nfs/dbraw/zinc/82/77/79/937827779.db2.gz IONSESLNGKLNHK-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001473886754 937827780 /nfs/dbraw/zinc/82/77/80/937827780.db2.gz IONSESLNGKLNHK-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H](C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C)[NH+]1CCCC1 ZINC001473926938 937830258 /nfs/dbraw/zinc/83/02/58/937830258.db2.gz QACBCHGGFKIMRE-BRWVUGGUSA-N 2 1 264.457 3.443 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001473957959 937832103 /nfs/dbraw/zinc/83/21/03/937832103.db2.gz YLCAACLPAHKTAU-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001473957959 937832104 /nfs/dbraw/zinc/83/21/04/937832104.db2.gz YLCAACLPAHKTAU-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001473986536 937833871 /nfs/dbraw/zinc/83/38/71/937833871.db2.gz GLKFTFNKKNFHHP-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC001473989260 937834057 /nfs/dbraw/zinc/83/40/57/937834057.db2.gz YOHDOPVOQWLVCN-OAHLLOKOSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC001473989260 937834058 /nfs/dbraw/zinc/83/40/58/937834058.db2.gz YOHDOPVOQWLVCN-OAHLLOKOSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC001473989260 937834060 /nfs/dbraw/zinc/83/40/60/937834060.db2.gz YOHDOPVOQWLVCN-OAHLLOKOSA-N 2 1 278.415 3.344 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001474201122 937843510 /nfs/dbraw/zinc/84/35/10/937843510.db2.gz ZQWLGQSLBYOCHN-MUJYYYPQSA-N 2 1 252.446 3.133 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001474224499 937844867 /nfs/dbraw/zinc/84/48/67/937844867.db2.gz STPZJXQJFLQCGX-CQSZACIVSA-N 2 1 286.419 3.278 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2C2CCCC2)CC1(C)C ZINC001474301187 937849422 /nfs/dbraw/zinc/84/94/22/937849422.db2.gz HAPUONJDIMMIHC-PMPSAXMXSA-N 2 1 264.457 3.275 20 0 CGADMP CO[C@@H](CC(C)C)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001474681301 937874855 /nfs/dbraw/zinc/87/48/55/937874855.db2.gz BZOAUOXLULMICW-KRWDZBQOSA-N 2 1 284.488 3.245 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129552 938162894 /nfs/dbraw/zinc/16/28/94/938162894.db2.gz NUCSZAVLOUVBFB-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129552 938162895 /nfs/dbraw/zinc/16/28/95/938162895.db2.gz NUCSZAVLOUVBFB-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129552 938162896 /nfs/dbraw/zinc/16/28/96/938162896.db2.gz NUCSZAVLOUVBFB-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129552 938162897 /nfs/dbraw/zinc/16/28/97/938162897.db2.gz NUCSZAVLOUVBFB-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP CCc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2[NH3+])s1 ZINC001551401152 938181617 /nfs/dbraw/zinc/18/16/17/938181617.db2.gz HKEQVBFGMUNHAS-CVEARBPZSA-N 2 1 272.417 3.025 20 0 CGADMP Clc1ccccc1C1CC([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC001553027809 938196099 /nfs/dbraw/zinc/19/60/99/938196099.db2.gz OOQAMBQYUABVGC-ZUEPYMLJSA-N 2 1 290.838 3.460 20 0 CGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001553815247 938200947 /nfs/dbraw/zinc/20/09/47/938200947.db2.gz BFHJUSXXWSFWFK-MRXNPFEDSA-N 2 1 294.402 3.281 20 0 CGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC1CCCC1 ZINC001560137154 938244855 /nfs/dbraw/zinc/24/48/55/938244855.db2.gz UXSBWWRJUUGHNI-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC1CCCC1 ZINC001560137154 938244856 /nfs/dbraw/zinc/24/48/56/938244856.db2.gz UXSBWWRJUUGHNI-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC1CCCC1 ZINC001560137154 938244857 /nfs/dbraw/zinc/24/48/57/938244857.db2.gz UXSBWWRJUUGHNI-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001560137154 938244858 /nfs/dbraw/zinc/24/48/58/938244858.db2.gz UXSBWWRJUUGHNI-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC1CCCC1 ZINC001560137154 938244859 /nfs/dbraw/zinc/24/48/59/938244859.db2.gz UXSBWWRJUUGHNI-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccccc2OC)C1 ZINC001560291576 938251202 /nfs/dbraw/zinc/25/12/02/938251202.db2.gz XAYGMMYLURQJFG-IOBAAEILSA-N 2 1 288.435 3.030 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC001560320184 938252705 /nfs/dbraw/zinc/25/27/05/938252705.db2.gz QBMJGUAADHQSOM-RHSMWYFYSA-N 2 1 260.425 3.417 20 0 CGADMP CCc1ncc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001560406361 938257138 /nfs/dbraw/zinc/25/71/38/938257138.db2.gz CPKNBNLEXKAKNM-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC001560406361 938257139 /nfs/dbraw/zinc/25/71/39/938257139.db2.gz CPKNBNLEXKAKNM-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001560406361 938257140 /nfs/dbraw/zinc/25/71/40/938257140.db2.gz CPKNBNLEXKAKNM-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC001560465219 938259358 /nfs/dbraw/zinc/25/93/58/938259358.db2.gz LILVEHPRSLEQMZ-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC001560465219 938259359 /nfs/dbraw/zinc/25/93/59/938259359.db2.gz LILVEHPRSLEQMZ-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC001560679127 938269651 /nfs/dbraw/zinc/26/96/51/938269651.db2.gz BZRVXMWIACUXLY-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)([NH3+])C[NH+]1CCC(Cc2ccccc2Cl)CC1 ZINC001575354074 962369782 /nfs/dbraw/zinc/36/97/82/962369782.db2.gz DWPRHCYBPMOTCX-UHFFFAOYSA-N 2 1 280.843 3.332 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC001575422215 962372929 /nfs/dbraw/zinc/37/29/29/962372929.db2.gz FWPMIJPVWSDCPT-IRXDYDNUSA-N 2 1 275.440 3.230 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575531267 962392187 /nfs/dbraw/zinc/39/21/87/962392187.db2.gz NCDQIJPCZKWERO-JYJNAYRXSA-N 2 1 252.446 3.120 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001576117312 962437701 /nfs/dbraw/zinc/43/77/01/962437701.db2.gz MISJQDWPFSSYRA-OJLVUWQFSA-N 2 1 294.389 3.095 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001576435012 962459566 /nfs/dbraw/zinc/45/95/66/962459566.db2.gz NWHFNFRLVLFRTA-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1cnc2ccccc2c1 ZINC001576689630 962480511 /nfs/dbraw/zinc/48/05/11/962480511.db2.gz DDJMHVLRKSSFNZ-KBXCAEBGSA-N 2 1 283.419 3.232 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001577249321 962517154 /nfs/dbraw/zinc/51/71/54/962517154.db2.gz GXWWAFVIHSGRAP-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1F ZINC001578234422 962574494 /nfs/dbraw/zinc/57/44/94/962574494.db2.gz ZDFDYCWAEOJQQB-KKUMJFAQSA-N 2 1 262.372 3.136 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH3+])c2)C1 ZINC001578215052 962574622 /nfs/dbraw/zinc/57/46/22/962574622.db2.gz PFWFOAYFUPBNAG-HZPDHXFCSA-N 2 1 278.465 3.251 20 0 CGADMP COCCCCC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001579011920 962608691 /nfs/dbraw/zinc/60/86/91/962608691.db2.gz HYRFTYPVHBELKA-GOSISDBHSA-N 2 1 290.451 3.057 20 0 CGADMP COCCCCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001579011920 962608699 /nfs/dbraw/zinc/60/86/99/962608699.db2.gz HYRFTYPVHBELKA-GOSISDBHSA-N 2 1 290.451 3.057 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001579460648 962625293 /nfs/dbraw/zinc/62/52/93/962625293.db2.gz DFZGWIQHKQWXBE-OLZOCXBDSA-N 2 1 288.366 3.031 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001579580171 962637477 /nfs/dbraw/zinc/63/74/77/962637477.db2.gz RRYHWBRAYZUQHK-LJQANCHMSA-N 2 1 286.463 3.312 20 0 CGADMP Cc1ccc(F)cc1C[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C ZINC001579708406 962665563 /nfs/dbraw/zinc/66/55/63/962665563.db2.gz QVKUVFXMALHDSI-XJKSGUPXSA-N 2 1 264.388 3.131 20 0 CGADMP Cc1cccc(CCC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC001579759584 962670739 /nfs/dbraw/zinc/67/07/39/962670739.db2.gz NWQTZBIFXILMOL-RYRKJORJSA-N 2 1 274.452 3.233 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+]3CCCC[C@H]3CC[NH3+])cc21 ZINC001579776299 962673596 /nfs/dbraw/zinc/67/35/96/962673596.db2.gz MGXCSTFNOQYJTB-HNNXBMFYSA-N 2 1 271.408 3.180 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001580229485 962702710 /nfs/dbraw/zinc/70/27/10/962702710.db2.gz QEJWDVILUASPRL-HNNXBMFYSA-N 2 1 266.816 3.337 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000337416823 214067394 /nfs/dbraw/zinc/06/73/94/214067394.db2.gz PNWRUJBRJDSYJL-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261528 349484526 /nfs/dbraw/zinc/48/45/26/349484526.db2.gz TYZSGHOECQLINT-DOMZBBRYSA-N 2 1 281.831 3.040 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000651228787 398219206 /nfs/dbraw/zinc/21/92/06/398219206.db2.gz AUDVCSPUZXVTNQ-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000337520374 214135948 /nfs/dbraw/zinc/13/59/48/214135948.db2.gz XONKEOUTAWHQQW-KRWDZBQOSA-N 2 1 290.451 3.174 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc2cnccc21)C1CC1 ZINC000651599744 398257774 /nfs/dbraw/zinc/25/77/74/398257774.db2.gz AZFZTZAKNJHWFD-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP CCCc1ccc(CN2CC[C@@H](C[N@@H+](C)CC)C2)s1 ZINC000621718415 349563435 /nfs/dbraw/zinc/56/34/35/349563435.db2.gz HHWWTYUZZNRKNR-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)s1 ZINC000621718415 349563438 /nfs/dbraw/zinc/56/34/38/349563438.db2.gz HHWWTYUZZNRKNR-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)s1 ZINC000621718415 349563441 /nfs/dbraw/zinc/56/34/41/349563441.db2.gz HHWWTYUZZNRKNR-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)s1 ZINC000621718415 349563443 /nfs/dbraw/zinc/56/34/43/349563443.db2.gz HHWWTYUZZNRKNR-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)s1 ZINC000621718415 349563446 /nfs/dbraw/zinc/56/34/46/349563446.db2.gz HHWWTYUZZNRKNR-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000651866541 398298719 /nfs/dbraw/zinc/29/87/19/398298719.db2.gz IGWRBFIZOFJPJE-UHFFFAOYSA-N 2 1 288.435 3.030 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000651866541 398298721 /nfs/dbraw/zinc/29/87/21/398298721.db2.gz IGWRBFIZOFJPJE-UHFFFAOYSA-N 2 1 288.435 3.030 20 0 CGADMP CC[N@H+](CCC[NH2+]CC1(F)CC1)C1CCCCC1 ZINC000651910503 398305000 /nfs/dbraw/zinc/30/50/00/398305000.db2.gz WEKGPVMRGUJOLV-UHFFFAOYSA-N 2 1 256.409 3.123 20 0 CGADMP CC[N@@H+](CCC[NH2+]CC1(F)CC1)C1CCCCC1 ZINC000651910503 398305002 /nfs/dbraw/zinc/30/50/02/398305002.db2.gz WEKGPVMRGUJOLV-UHFFFAOYSA-N 2 1 256.409 3.123 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423473741 529453445 /nfs/dbraw/zinc/45/34/45/529453445.db2.gz QVJLWYLXKSQHKN-WPRPVWTQSA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000423458734 529453449 /nfs/dbraw/zinc/45/34/49/529453449.db2.gz HDALFFALVWNARO-STQMWFEESA-N 2 1 285.229 3.227 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000125783280 187199529 /nfs/dbraw/zinc/19/95/29/187199529.db2.gz BOOJCGYYPDMREM-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000125783280 187199530 /nfs/dbraw/zinc/19/95/30/187199530.db2.gz BOOJCGYYPDMREM-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000125783280 187199531 /nfs/dbraw/zinc/19/95/31/187199531.db2.gz BOOJCGYYPDMREM-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423478463 529568462 /nfs/dbraw/zinc/56/84/62/529568462.db2.gz UPPDCKVPKIVTEL-MJGOQNOKSA-N 2 1 298.430 3.306 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000357020167 282204685 /nfs/dbraw/zinc/20/46/85/282204685.db2.gz NRJWBEUVMVYJHH-ZBFHGGJFSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000357020167 282204687 /nfs/dbraw/zinc/20/46/87/282204687.db2.gz NRJWBEUVMVYJHH-ZBFHGGJFSA-N 2 1 263.429 3.340 20 0 CGADMP CC[C@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422916893 529631466 /nfs/dbraw/zinc/63/14/66/529631466.db2.gz BVLBEJVJPUGZOW-ROUUACIJSA-N 2 1 268.404 3.460 20 0 CGADMP C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337594 349781789 /nfs/dbraw/zinc/78/17/89/349781789.db2.gz PYBDXQAOWJRMCG-WCQYABFASA-N 2 1 282.378 3.488 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc(F)c1 ZINC000423259028 529654243 /nfs/dbraw/zinc/65/42/43/529654243.db2.gz CZQNDBDFNXLUJH-CABCVRRESA-N 2 1 252.377 3.240 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423468544 529666478 /nfs/dbraw/zinc/66/64/78/529666478.db2.gz OMFJPPRDLAATMC-CWSCBRNRSA-N 2 1 290.329 3.362 20 0 CGADMP Cc1cccc(OC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623372257 349792457 /nfs/dbraw/zinc/79/24/57/349792457.db2.gz MCGMIISPTKKMJI-CVEARBPZSA-N 2 1 290.451 3.225 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)CC1(C)C ZINC000623387468 349796100 /nfs/dbraw/zinc/79/61/00/349796100.db2.gz DVDVHWXRZYMMGJ-GOEBONIOSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398901 349799009 /nfs/dbraw/zinc/79/90/09/349799009.db2.gz RSEIALTUMNVMLM-DLBZAZTESA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C(C)C ZINC000126430235 187239021 /nfs/dbraw/zinc/23/90/21/187239021.db2.gz YLHOJDQGDXOCDH-HNNXBMFYSA-N 2 1 272.396 3.100 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623403477 349799809 /nfs/dbraw/zinc/79/98/09/349799809.db2.gz XGXMJPCPYGSOCT-CJNGLKHVSA-N 2 1 278.415 3.392 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623408030 349800910 /nfs/dbraw/zinc/80/09/10/349800910.db2.gz FALVJABTNAYLMO-WBVHZDCISA-N 2 1 272.436 3.445 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CC1(C)C ZINC000623412947 349801644 /nfs/dbraw/zinc/80/16/44/349801644.db2.gz FCLBNEPSANDYJS-HOTGVXAUSA-N 2 1 272.436 3.179 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000352972964 282247429 /nfs/dbraw/zinc/24/74/29/282247429.db2.gz ZMCUZIOEDCJRPD-MLHJIOFPSA-N 2 1 294.483 3.187 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000192932880 282259987 /nfs/dbraw/zinc/25/99/87/282259987.db2.gz HHICHKGCXGAWBL-KCQAQPDRSA-N 2 1 262.397 3.119 20 0 CGADMP Cc1cc(F)ccc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623444010 349810388 /nfs/dbraw/zinc/81/03/88/349810388.db2.gz XXENTEODWBPWDN-INIZCTEOSA-N 2 1 278.415 3.139 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447287 349811445 /nfs/dbraw/zinc/81/14/45/349811445.db2.gz LTSBQHWSZKZGHJ-CZUORRHYSA-N 2 1 288.435 3.145 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1(C)C ZINC000623453297 349813249 /nfs/dbraw/zinc/81/32/49/349813249.db2.gz IHJCFNSEJOJCKW-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)Cc3ccccc3C2)CC1(C)C ZINC000623480933 349817752 /nfs/dbraw/zinc/81/77/52/349817752.db2.gz MWRMVUIBSKOXJS-KRWDZBQOSA-N 2 1 286.463 3.254 20 0 CGADMP Cc1csc([C@@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623491000 349819269 /nfs/dbraw/zinc/81/92/69/349819269.db2.gz AFDLSMCBQWHDON-AAEUAGOBSA-N 2 1 281.469 3.017 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623493575 349819942 /nfs/dbraw/zinc/81/99/42/349819942.db2.gz KNMLQNYGMATFFI-QLFBSQMISA-N 2 1 282.472 3.041 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@H]2CCC[C@H]21 ZINC000368611387 529806790 /nfs/dbraw/zinc/80/67/90/529806790.db2.gz CSSJKXDCWWEYIM-FRRDWIJNSA-N 2 1 284.856 3.364 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623657397 349859707 /nfs/dbraw/zinc/85/97/07/349859707.db2.gz PTFFLYYSWYNQKA-PMPSAXMXSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000623656121 349856502 /nfs/dbraw/zinc/85/65/02/349856502.db2.gz NQJFVHVBLDLAEA-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000623656121 349856506 /nfs/dbraw/zinc/85/65/06/349856506.db2.gz NQJFVHVBLDLAEA-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000623655891 349856863 /nfs/dbraw/zinc/85/68/63/349856863.db2.gz IAYBPQVYITVARV-HNNXBMFYSA-N 2 1 272.436 3.386 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656145 349856887 /nfs/dbraw/zinc/85/68/87/349856887.db2.gz OBSBWSFHBZYIFR-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623656830 349857756 /nfs/dbraw/zinc/85/77/56/349857756.db2.gz CPNYWNMXQNLSHL-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP C[N@@H+](CCOc1ccc(Cl)cc1)CCC1CC[NH2+]CC1 ZINC000359190176 529925377 /nfs/dbraw/zinc/92/53/77/529925377.db2.gz MUCIGKKRTWKARX-UHFFFAOYSA-N 2 1 296.842 3.040 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622236 344964255 /nfs/dbraw/zinc/96/42/55/344964255.db2.gz NAGPHUPFBUTRGR-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649417 344951804 /nfs/dbraw/zinc/95/18/04/344951804.db2.gz ZMBWCOGXWSTDPR-LSDHHAIUSA-N 2 1 288.435 3.139 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000044533491 345013197 /nfs/dbraw/zinc/01/31/97/345013197.db2.gz LSNIXZDLRBHLSV-WLYUNCDWSA-N 2 1 276.399 3.003 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)s1 ZINC000045135186 345021113 /nfs/dbraw/zinc/02/11/13/345021113.db2.gz XBCDBTMPGWBPPO-ZDUSSCGKSA-N 2 1 266.454 3.130 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000071120182 345401720 /nfs/dbraw/zinc/40/17/20/345401720.db2.gz KBBKJRIZVKSTGR-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000480194465 535005082 /nfs/dbraw/zinc/00/50/82/535005082.db2.gz MLRLVWPDJSLPGT-SUMWQHHRSA-N 2 1 278.415 3.379 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000155373007 232223864 /nfs/dbraw/zinc/22/38/64/232223864.db2.gz QTESBNOXHCSOBU-UHFFFAOYSA-N 2 1 275.440 3.134 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cn1 ZINC000155373007 232223869 /nfs/dbraw/zinc/22/38/69/232223869.db2.gz QTESBNOXHCSOBU-UHFFFAOYSA-N 2 1 275.440 3.134 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000090105676 345783061 /nfs/dbraw/zinc/78/30/61/345783061.db2.gz AZPNXGPYRGGJIW-LYHPXFHOSA-N 2 1 264.457 3.274 20 0 CGADMP CC(C)C1CCC(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000090576683 345790676 /nfs/dbraw/zinc/79/06/76/345790676.db2.gz CLEPYJCLSMMBQZ-VXLLPVPCSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc2ccccc12 ZINC000124494231 346012663 /nfs/dbraw/zinc/01/26/63/346012663.db2.gz XCCQXXVGKPFHIS-YPMHNXCESA-N 2 1 260.406 3.213 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc2ccccc12 ZINC000124494480 346012901 /nfs/dbraw/zinc/01/29/01/346012901.db2.gz XCCQXXVGKPFHIS-AAEUAGOBSA-N 2 1 260.406 3.213 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000178136246 232382139 /nfs/dbraw/zinc/38/21/39/232382139.db2.gz VCFPGGQTBADALW-WUBBGQFHSA-N 2 1 258.409 3.018 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158236540 346163372 /nfs/dbraw/zinc/16/33/72/346163372.db2.gz BDWPHTOXTOYVKL-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158236540 346163377 /nfs/dbraw/zinc/16/33/77/346163377.db2.gz BDWPHTOXTOYVKL-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP Cc1sccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000351689121 219176904 /nfs/dbraw/zinc/17/69/04/219176904.db2.gz YALBTKZYILRFKG-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1sccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000351689121 219176905 /nfs/dbraw/zinc/17/69/05/219176905.db2.gz YALBTKZYILRFKG-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1sccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000351689121 219176908 /nfs/dbraw/zinc/17/69/08/219176908.db2.gz YALBTKZYILRFKG-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1sccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000351689121 219176911 /nfs/dbraw/zinc/17/69/11/219176911.db2.gz YALBTKZYILRFKG-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP CC1(C)CCC[C@H]1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624027426 349949938 /nfs/dbraw/zinc/94/99/38/349949938.db2.gz UCDCKCSQQMYWEE-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](CSCCF)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000595014936 347257464 /nfs/dbraw/zinc/25/74/64/347257464.db2.gz VSSDINAQKWBHFQ-LSDHHAIUSA-N 2 1 290.492 3.322 20 0 CGADMP C[C@H](CSCCF)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000595016719 347257838 /nfs/dbraw/zinc/25/78/38/347257838.db2.gz VUSJXWIBGSZOOD-HIFRSBDPSA-N 2 1 290.492 3.178 20 0 CGADMP CS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598981368 347703838 /nfs/dbraw/zinc/70/38/38/347703838.db2.gz OMHACNLEFQQCDM-BFHYXJOUSA-N 2 1 270.486 3.123 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119868 349977206 /nfs/dbraw/zinc/97/72/06/349977206.db2.gz LBXWHFOAIAORCZ-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624122144 349980202 /nfs/dbraw/zinc/98/02/02/349980202.db2.gz KTWYWANWYOWOBY-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120806 349979007 /nfs/dbraw/zinc/97/90/07/349979007.db2.gz HHBKXCWQPOJCBZ-RHSMWYFYSA-N 2 1 288.435 3.004 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000624121658 349979649 /nfs/dbraw/zinc/97/96/49/349979649.db2.gz AJNCRGGPKIFHHM-PKOBYXMFSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121910 349980112 /nfs/dbraw/zinc/98/01/12/349980112.db2.gz FWJXLVDGQHGPTM-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000624121401 349978430 /nfs/dbraw/zinc/97/84/30/349978430.db2.gz VJQZGDNJDQWLBU-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122501 349981008 /nfs/dbraw/zinc/98/10/08/349981008.db2.gz SWMZNWSBTGILKR-HUUCEWRRSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122739 349982047 /nfs/dbraw/zinc/98/20/47/349982047.db2.gz ZULFXRYUESZALC-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000624123144 349982133 /nfs/dbraw/zinc/98/21/33/349982133.db2.gz GNHOMJQOENPFAN-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339412503 215156387 /nfs/dbraw/zinc/15/63/87/215156387.db2.gz OTYADVZAQQRXBT-QWHCGFSZSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123247 349983279 /nfs/dbraw/zinc/98/32/79/349983279.db2.gz IQLDPDLPWWDRPO-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc(C[C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359226473 233282302 /nfs/dbraw/zinc/28/23/02/233282302.db2.gz VAYVMUQZPYASJV-GOSISDBHSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000359882918 233388264 /nfs/dbraw/zinc/38/82/64/233388264.db2.gz WIYUHOZZUWHEFT-YOEHRIQHSA-N 2 1 284.407 3.060 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000359882918 233388269 /nfs/dbraw/zinc/38/82/69/233388269.db2.gz WIYUHOZZUWHEFT-YOEHRIQHSA-N 2 1 284.407 3.060 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628208145 350440209 /nfs/dbraw/zinc/44/02/09/350440209.db2.gz AHWMMQHASVXHDI-DLBZAZTESA-N 2 1 274.452 3.420 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352192665 219352862 /nfs/dbraw/zinc/35/28/62/219352862.db2.gz WZBKSQIIHQOXDE-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000628308649 350492115 /nfs/dbraw/zinc/49/21/15/350492115.db2.gz BNJXXEMCYONDFA-IRXDYDNUSA-N 2 1 274.452 3.420 20 0 CGADMP CC[N@H+](Cc1cnc(C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000628278415 350475586 /nfs/dbraw/zinc/47/55/86/350475586.db2.gz PMYGMCNGZPNLNS-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP CC[N@@H+](Cc1cnc(C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000628278415 350475588 /nfs/dbraw/zinc/47/55/88/350475588.db2.gz PMYGMCNGZPNLNS-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000628425254 350535952 /nfs/dbraw/zinc/53/59/52/350535952.db2.gz FTIUKAPYVXFEMA-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000629528103 350703115 /nfs/dbraw/zinc/70/31/15/350703115.db2.gz PGHDXCXPSOFZSQ-ZBFHGGJFSA-N 2 1 289.467 3.327 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629531294 350704119 /nfs/dbraw/zinc/70/41/19/350704119.db2.gz GRIARTPFBGFXOA-RYUDHWBXSA-N 2 1 262.388 3.178 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556737 350712603 /nfs/dbraw/zinc/71/26/03/350712603.db2.gz XIPBXPLQSTWCBO-KFWWJZLASA-N 2 1 264.800 3.187 20 0 CGADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000629575280 350713532 /nfs/dbraw/zinc/71/35/32/350713532.db2.gz NNRKSXCUKFKTDD-XJKSGUPXSA-N 2 1 276.399 3.003 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000629418327 350690790 /nfs/dbraw/zinc/69/07/90/350690790.db2.gz WHMZWZFRQHAXGJ-UBDQQSCGSA-N 2 1 272.436 3.128 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000629510893 350698797 /nfs/dbraw/zinc/69/87/97/350698797.db2.gz WVPFSBYUDWRGHA-UKRRQHHQSA-N 2 1 275.440 3.073 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2c1 ZINC000629510013 350698926 /nfs/dbraw/zinc/69/89/26/350698926.db2.gz OHDCXDBFQBGOCI-GDBMZVCRSA-N 2 1 283.419 3.102 20 0 CGADMP [NH3+]C1(C[NH2+]CC2=Cc3ccccc3OC2)CCCCCC1 ZINC000629647604 350729830 /nfs/dbraw/zinc/72/98/30/350729830.db2.gz BFZKRFZEPGSSIM-UHFFFAOYSA-N 2 1 286.419 3.104 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000629659793 350732140 /nfs/dbraw/zinc/73/21/40/350732140.db2.gz HDBPJHXECRZPCQ-OIISXLGYSA-N 2 1 260.425 3.156 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccs2)cc1 ZINC000629691021 350737704 /nfs/dbraw/zinc/73/77/04/350737704.db2.gz SIOXWSWKBBOCHN-OAHLLOKOSA-N 2 1 272.417 3.338 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccs2)cc1 ZINC000629691021 350737707 /nfs/dbraw/zinc/73/77/07/350737707.db2.gz SIOXWSWKBBOCHN-OAHLLOKOSA-N 2 1 272.417 3.338 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000630557110 350853142 /nfs/dbraw/zinc/85/31/42/350853142.db2.gz HDSLECSINXFUKT-GXSJLCMTSA-N 2 1 295.308 3.180 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(C)ccn1 ZINC000631569543 351069886 /nfs/dbraw/zinc/06/98/86/351069886.db2.gz KDJIAXJLXMXDSU-HZPDHXFCSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(C)ccn1 ZINC000631569543 351069889 /nfs/dbraw/zinc/06/98/89/351069889.db2.gz KDJIAXJLXMXDSU-HZPDHXFCSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(C)ccn1 ZINC000631569575 351069934 /nfs/dbraw/zinc/06/99/34/351069934.db2.gz KJNJDUZJNQOSRE-ULQDDVLXSA-N 2 1 287.451 3.448 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(C)ccn1 ZINC000631569575 351069938 /nfs/dbraw/zinc/06/99/38/351069938.db2.gz KJNJDUZJNQOSRE-ULQDDVLXSA-N 2 1 287.451 3.448 20 0 CGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000631575537 351073390 /nfs/dbraw/zinc/07/33/90/351073390.db2.gz NCKIQBKNUFSJEN-SCLBCKFNSA-N 2 1 299.418 3.113 20 0 CGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000631575535 351073501 /nfs/dbraw/zinc/07/35/01/351073501.db2.gz NCKIQBKNUFSJEN-ACJLOTCBSA-N 2 1 299.418 3.113 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(C)ccn1 ZINC000631583340 351077713 /nfs/dbraw/zinc/07/77/13/351077713.db2.gz WRYRTNHVICOFKZ-HZPDHXFCSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631583340 351077718 /nfs/dbraw/zinc/07/77/18/351077718.db2.gz WRYRTNHVICOFKZ-HZPDHXFCSA-N 2 1 275.440 3.163 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631585334 351078662 /nfs/dbraw/zinc/07/86/62/351078662.db2.gz PEBJYGWVTIJGON-MAUKXSAKSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631585334 351078664 /nfs/dbraw/zinc/07/86/64/351078664.db2.gz PEBJYGWVTIJGON-MAUKXSAKSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836966 351150662 /nfs/dbraw/zinc/15/06/62/351150662.db2.gz KQFBCCFQTNBWLN-NTZNESFSSA-N 2 1 297.240 3.037 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836966 351150664 /nfs/dbraw/zinc/15/06/64/351150664.db2.gz KQFBCCFQTNBWLN-NTZNESFSSA-N 2 1 297.240 3.037 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)CC(C)C ZINC000634678491 351564036 /nfs/dbraw/zinc/56/40/36/351564036.db2.gz VOQWMKQPIYJSLG-JKSUJKDBSA-N 2 1 284.488 3.290 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)[C@@H]1CC[NH3+] ZINC000634688412 351573844 /nfs/dbraw/zinc/57/38/44/351573844.db2.gz ROSKRQUBYMWPII-RDTXWAMCSA-N 2 1 283.419 3.184 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]Cc1cccc2ncccc12 ZINC000634983486 351616875 /nfs/dbraw/zinc/61/68/75/351616875.db2.gz PCOCYPYYYLFVKA-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2Cl)C1 ZINC000339843270 215361338 /nfs/dbraw/zinc/36/13/38/215361338.db2.gz HQEUIXPHGGWNRT-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2Cl)C1 ZINC000339843270 215361341 /nfs/dbraw/zinc/36/13/41/215361341.db2.gz HQEUIXPHGGWNRT-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000339843270 215361342 /nfs/dbraw/zinc/36/13/42/215361342.db2.gz HQEUIXPHGGWNRT-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000339843270 215361344 /nfs/dbraw/zinc/36/13/44/215361344.db2.gz HQEUIXPHGGWNRT-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP c1csc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121891382 187003145 /nfs/dbraw/zinc/00/31/45/187003145.db2.gz JNMICSOWAJRIHU-UHFFFAOYSA-N 2 1 293.480 3.231 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123632323 187101868 /nfs/dbraw/zinc/10/18/68/187101868.db2.gz MEFGOJRIDPMJFZ-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123632323 187101869 /nfs/dbraw/zinc/10/18/69/187101869.db2.gz MEFGOJRIDPMJFZ-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123632323 187101870 /nfs/dbraw/zinc/10/18/70/187101870.db2.gz MEFGOJRIDPMJFZ-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123632323 187101871 /nfs/dbraw/zinc/10/18/71/187101871.db2.gz MEFGOJRIDPMJFZ-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000364681594 234060506 /nfs/dbraw/zinc/06/05/06/234060506.db2.gz JCAXZCLNCBPFPF-DOTOQJQBSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000364681594 234060510 /nfs/dbraw/zinc/06/05/10/234060510.db2.gz JCAXZCLNCBPFPF-DOTOQJQBSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000152473528 188021840 /nfs/dbraw/zinc/02/18/40/188021840.db2.gz AUITUYUTZUSTFB-YLJYHZDGSA-N 2 1 298.474 3.390 20 0 CGADMP CC[C@H](COC)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000154878368 188167148 /nfs/dbraw/zinc/16/71/48/188167148.db2.gz NKHDVWFTKAQZDR-QGZVFWFLSA-N 2 1 278.440 3.041 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000155385136 188202563 /nfs/dbraw/zinc/20/25/63/188202563.db2.gz OLNDGSXYHCJLRU-XJKSGUPXSA-N 2 1 292.854 3.444 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH+]1CCC3(CC[NH2+]3)CC1)CCC2 ZINC000335016678 283004228 /nfs/dbraw/zinc/00/42/28/283004228.db2.gz GACQHYRWYUVSDN-MRXNPFEDSA-N 2 1 274.383 3.031 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000271799963 191336104 /nfs/dbraw/zinc/33/61/04/191336104.db2.gz PDSDHWJWOAQLMD-LLVKDONJSA-N 2 1 279.334 3.211 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(OC(F)F)c1 ZINC000271885205 191389268 /nfs/dbraw/zinc/38/92/68/191389268.db2.gz QPIAFKKBDYYDIS-LBPRGKRZSA-N 2 1 296.361 3.201 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000271894419 191394707 /nfs/dbraw/zinc/39/47/07/191394707.db2.gz SXHBYOIXCGZJRC-SNVBAGLBSA-N 2 1 270.829 3.314 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1F ZINC000414076397 235330354 /nfs/dbraw/zinc/33/03/54/235330354.db2.gz QAPUUQRSODSQME-ZOWXZIJZSA-N 2 1 287.382 3.454 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000414178062 235354906 /nfs/dbraw/zinc/35/49/06/235354906.db2.gz KCSXABYQKHSBAA-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000414176046 235355048 /nfs/dbraw/zinc/35/50/48/235355048.db2.gz HJCSRQIQLKGCIZ-FUTJPDQTSA-N 2 1 296.817 3.407 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@H+]1C ZINC000414176046 235355049 /nfs/dbraw/zinc/35/50/49/235355049.db2.gz HJCSRQIQLKGCIZ-FUTJPDQTSA-N 2 1 296.817 3.407 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414169614 235352948 /nfs/dbraw/zinc/35/29/48/235352948.db2.gz BDCAMKATJRHRSI-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1occc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000414288382 235380220 /nfs/dbraw/zinc/38/02/20/235380220.db2.gz PVBSJDHEGPYJEA-CQSZACIVSA-N 2 1 264.413 3.190 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000375807617 283141530 /nfs/dbraw/zinc/14/15/30/283141530.db2.gz RFALKTCFXPIKBR-UUAJXVIYSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000093516101 138346997 /nfs/dbraw/zinc/34/69/97/138346997.db2.gz SFJQKCZSYLJKSX-GXTWGEPZSA-N 2 1 282.378 3.365 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000093513485 138347612 /nfs/dbraw/zinc/34/76/12/138347612.db2.gz UNFUORBGLBSMGW-QZTJIDSGSA-N 3 1 295.515 3.009 20 0 CGADMP Clc1ccc2c(NCC[C@H]3CC[NH2+]C3)cc[nH+]c2c1 ZINC000110798797 138363247 /nfs/dbraw/zinc/36/32/47/138363247.db2.gz IRPFNAYRAWKWCS-LLVKDONJSA-N 2 1 275.783 3.300 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000124001783 138372448 /nfs/dbraw/zinc/37/24/48/138372448.db2.gz UMWXYZMJHCRXAU-LJQANCHMSA-N 2 1 297.446 3.461 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000124001783 138372450 /nfs/dbraw/zinc/37/24/50/138372450.db2.gz UMWXYZMJHCRXAU-LJQANCHMSA-N 2 1 297.446 3.461 20 0 CGADMP c1cc2c(cccc2C[NH+]2CCC([NH+]3CCCC3)CC2)[nH]1 ZINC000127776674 138390785 /nfs/dbraw/zinc/39/07/85/138390785.db2.gz FXBMUEZGWUZQQD-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000423228561 236003094 /nfs/dbraw/zinc/00/30/94/236003094.db2.gz DBCWPKSNYOLWIZ-IUCAKERBSA-N 2 1 261.196 3.381 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423278964 236019225 /nfs/dbraw/zinc/01/92/25/236019225.db2.gz QOPOUVVTKGHFRQ-IMJJTQAJSA-N 2 1 278.827 3.303 20 0 CGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423369080 236052426 /nfs/dbraw/zinc/05/24/26/236052426.db2.gz SFPKELUQCQIVPA-RISCZKNCSA-N 2 1 280.412 3.094 20 0 CGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423410014 236066355 /nfs/dbraw/zinc/06/63/55/236066355.db2.gz ZMIDLXRPAYWGGT-WHOFXGATSA-N 2 1 272.392 3.390 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)no1 ZINC000423503234 236088006 /nfs/dbraw/zinc/08/80/06/236088006.db2.gz FXABNCDNWPCIDY-DZGCQCFKSA-N 2 1 273.380 3.114 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423509393 236089268 /nfs/dbraw/zinc/08/92/68/236089268.db2.gz JPNLSRNVEPCWAC-SUMWQHHRSA-N 2 1 276.424 3.253 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1F ZINC000423534400 236094269 /nfs/dbraw/zinc/09/42/69/236094269.db2.gz VUWSLCJJOYOEQH-XHDPSFHLSA-N 2 1 280.387 3.002 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(F)c(Cl)c1)CC[NH2+]CC2 ZINC000424295108 236143769 /nfs/dbraw/zinc/14/37/69/236143769.db2.gz QRMORGVVRHFNFQ-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc(Cl)c1 ZINC000427122884 236323417 /nfs/dbraw/zinc/32/34/17/236323417.db2.gz UDOZOSUFWGYMNW-IVMMDQJWSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc(Cl)c1 ZINC000427122884 236323418 /nfs/dbraw/zinc/32/34/18/236323418.db2.gz UDOZOSUFWGYMNW-IVMMDQJWSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685230 199133293 /nfs/dbraw/zinc/13/32/93/199133293.db2.gz DKEBIKPBFKACEY-IIYDPXPESA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685230 199133295 /nfs/dbraw/zinc/13/32/95/199133295.db2.gz DKEBIKPBFKACEY-IIYDPXPESA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685230 199133297 /nfs/dbraw/zinc/13/32/97/199133297.db2.gz DKEBIKPBFKACEY-IIYDPXPESA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685230 199133299 /nfs/dbraw/zinc/13/32/99/199133299.db2.gz DKEBIKPBFKACEY-IIYDPXPESA-N 2 1 296.405 3.483 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC000294692048 199136612 /nfs/dbraw/zinc/13/66/12/199136612.db2.gz DRNWJVFKJGSOHQ-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC000294692048 199136614 /nfs/dbraw/zinc/13/66/14/199136614.db2.gz DRNWJVFKJGSOHQ-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000436275903 237068337 /nfs/dbraw/zinc/06/83/37/237068337.db2.gz PXERFEPDEVRBJN-BHIYHBOVSA-N 2 1 286.463 3.328 20 0 CGADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000420375175 283494774 /nfs/dbraw/zinc/49/47/74/283494774.db2.gz STKLOBSCQBOARK-OCCSQVGLSA-N 2 1 274.399 3.309 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000178257329 189100826 /nfs/dbraw/zinc/10/08/26/189100826.db2.gz UIAJPXSLHQFZRX-LBPRGKRZSA-N 2 1 264.438 3.273 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000178705305 189138632 /nfs/dbraw/zinc/13/86/32/189138632.db2.gz VLBGJXLHUGLSES-CHWSQXEVSA-N 2 1 275.371 3.318 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179131403 189171967 /nfs/dbraw/zinc/17/19/67/189171967.db2.gz JWFZEPCEFRJNLL-LBPRGKRZSA-N 2 1 292.814 3.371 20 0 CGADMP Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000179598438 189206024 /nfs/dbraw/zinc/20/60/24/189206024.db2.gz CRBAXWVQYNIZKG-MRXNPFEDSA-N 2 1 280.375 3.010 20 0 CGADMP Cn1cccc1[C@H]1CCCN1Cc1cccc2nccn21 ZINC000179598438 189206025 /nfs/dbraw/zinc/20/60/25/189206025.db2.gz CRBAXWVQYNIZKG-MRXNPFEDSA-N 2 1 280.375 3.010 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2Cl)[C@H](C)C1 ZINC000119444175 370677035 /nfs/dbraw/zinc/67/70/35/370677035.db2.gz SGOPBFMQRZRBDG-CZUORRHYSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1nc(NCC[N@@H+](C)C2CCCCC2)c(C)c(C)[nH+]1 ZINC000301697016 201143715 /nfs/dbraw/zinc/14/37/15/201143715.db2.gz QCLBDTDCQCXHTN-UHFFFAOYSA-N 2 1 276.428 3.078 20 0 CGADMP Cc1nc(NCC[N@H+](C)C2CCCCC2)c(C)c(C)[nH+]1 ZINC000301697016 201143717 /nfs/dbraw/zinc/14/37/17/201143717.db2.gz QCLBDTDCQCXHTN-UHFFFAOYSA-N 2 1 276.428 3.078 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000449084188 239165268 /nfs/dbraw/zinc/16/52/68/239165268.db2.gz WUASSODQPNQHSC-PBHICJAKSA-N 2 1 278.440 3.311 20 0 CGADMP CC(C)C[C@]1(C)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000451287136 240267251 /nfs/dbraw/zinc/26/72/51/240267251.db2.gz FJKUVFOQZOWKNB-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@]1(C)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000451287136 240267256 /nfs/dbraw/zinc/26/72/56/240267256.db2.gz FJKUVFOQZOWKNB-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@]1(C)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000451287136 240267261 /nfs/dbraw/zinc/26/72/61/240267261.db2.gz FJKUVFOQZOWKNB-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451988416 240391515 /nfs/dbraw/zinc/39/15/15/240391515.db2.gz ZYKMNYBFTUQYSZ-INIZCTEOSA-N 2 1 282.497 3.082 20 0 CGADMP Clc1cccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000459348065 242082750 /nfs/dbraw/zinc/08/27/50/242082750.db2.gz QVCZADDJYBWYAK-INIZCTEOSA-N 2 1 292.854 3.300 20 0 CGADMP Clc1cccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000459348065 242082755 /nfs/dbraw/zinc/08/27/55/242082755.db2.gz QVCZADDJYBWYAK-INIZCTEOSA-N 2 1 292.854 3.300 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)[C@@H](C)C1 ZINC000459415375 242101944 /nfs/dbraw/zinc/10/19/44/242101944.db2.gz PHECWXIZLKYSDA-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459588998 242139003 /nfs/dbraw/zinc/13/90/03/242139003.db2.gz XDYBIDGKWANKSI-UHFFFAOYSA-N 2 1 289.448 3.480 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2sccc2CC1(C)C ZINC000459588998 242139008 /nfs/dbraw/zinc/13/90/08/242139008.db2.gz XDYBIDGKWANKSI-UHFFFAOYSA-N 2 1 289.448 3.480 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459723837 242191552 /nfs/dbraw/zinc/19/15/52/242191552.db2.gz DBALCUIAGZYVIW-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)c1ncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459722888 242192794 /nfs/dbraw/zinc/19/27/94/242192794.db2.gz CFNJNTXJYSRESU-ZDUSSCGKSA-N 2 1 281.469 3.088 20 0 CGADMP COc1ccc(F)cc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000462798778 242363453 /nfs/dbraw/zinc/36/34/53/242363453.db2.gz SGJDRZJDPYXKKO-MRXNPFEDSA-N 2 1 296.430 3.290 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275903053 193159272 /nfs/dbraw/zinc/15/92/72/193159272.db2.gz SMYFVZKUDHIUGE-ZWKOTPCHSA-N 2 1 283.419 3.292 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1N(C)C ZINC000423186084 296118672 /nfs/dbraw/zinc/11/86/72/296118672.db2.gz WHRKJPUGSHMPQB-CQSZACIVSA-N 2 1 275.440 3.065 20 0 CGADMP COc1ccc(C)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000480927274 243168870 /nfs/dbraw/zinc/16/88/70/243168870.db2.gz MZISHCIYSCAVCF-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000482242629 243219627 /nfs/dbraw/zinc/21/96/27/243219627.db2.gz GCDVETWKKRXUNA-SJLPKXTDSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H](C)C1CCCCC1 ZINC000151368678 296122614 /nfs/dbraw/zinc/12/26/14/296122614.db2.gz FQQHYMMFTPUTLB-JKSUJKDBSA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000020095362 368802033 /nfs/dbraw/zinc/80/20/33/368802033.db2.gz ZSNDDCDDJFBNPE-CYBMUJFWSA-N 2 1 264.388 3.349 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(F)c1 ZINC000019905900 368778784 /nfs/dbraw/zinc/77/87/84/368778784.db2.gz ZVBVMHZEQODWPW-LBPRGKRZSA-N 2 1 252.377 3.064 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000019958482 368789255 /nfs/dbraw/zinc/78/92/55/368789255.db2.gz JKLRDNYRVKUIMG-LLVKDONJSA-N 2 1 274.330 3.308 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000019958370 368789500 /nfs/dbraw/zinc/78/95/00/368789500.db2.gz VRZIGEGUFAZUFY-NSHDSACASA-N 2 1 285.229 3.051 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000036908420 369036896 /nfs/dbraw/zinc/03/68/96/369036896.db2.gz XHBSLYKDROAQHJ-XUJVJEKNSA-N 2 1 266.816 3.158 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000036908419 369037306 /nfs/dbraw/zinc/03/73/06/369037306.db2.gz XHBSLYKDROAQHJ-JMSVASOKSA-N 2 1 266.816 3.158 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035012035 368989735 /nfs/dbraw/zinc/98/97/35/368989735.db2.gz BEBGFTUHKCLJNX-VQIMIIECSA-N 2 1 286.463 3.398 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1OC ZINC000037229425 369078663 /nfs/dbraw/zinc/07/86/63/369078663.db2.gz SHYAIUDDJLXVLS-MRXNPFEDSA-N 2 1 276.424 3.222 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000037644621 369095429 /nfs/dbraw/zinc/09/54/29/369095429.db2.gz LYSAKBWPPCRDND-NVXWUHKLSA-N 2 1 260.425 3.315 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649204 369095541 /nfs/dbraw/zinc/09/55/41/369095541.db2.gz HJJDWXMUROFLLT-JKSUJKDBSA-N 2 1 272.436 3.438 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000494995963 244346263 /nfs/dbraw/zinc/34/62/63/244346263.db2.gz MXHXGQICCFWSIT-NPCUJANDSA-N 2 1 264.457 3.274 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049553323 369408628 /nfs/dbraw/zinc/40/86/28/369408628.db2.gz DVZFTNWUJIGQJZ-ZIAGYGMSSA-N 2 1 264.413 3.076 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000051919482 369456537 /nfs/dbraw/zinc/45/65/37/369456537.db2.gz XTEDOZAQIDBYNU-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000486978193 296146586 /nfs/dbraw/zinc/14/65/86/296146586.db2.gz YPWOQBLUJDZSCD-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000486978193 296146588 /nfs/dbraw/zinc/14/65/88/296146588.db2.gz YPWOQBLUJDZSCD-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061328131 369598071 /nfs/dbraw/zinc/59/80/71/369598071.db2.gz RONVZYJODIUQJS-WFASDCNBSA-N 2 1 276.449 3.199 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000062014516 369613492 /nfs/dbraw/zinc/61/34/92/369613492.db2.gz WYYIJICWHFFBKR-GFCCVEGCSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000062010663 369613689 /nfs/dbraw/zinc/61/36/89/369613689.db2.gz ODUBMJPHKCLOSS-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000062018262 369614998 /nfs/dbraw/zinc/61/49/98/369614998.db2.gz FBDRLFCMKOEARW-NSHDSACASA-N 2 1 254.805 3.318 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000062077714 369618177 /nfs/dbraw/zinc/61/81/77/369618177.db2.gz APGFBAPQALUPTA-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000070074633 369778871 /nfs/dbraw/zinc/77/88/71/369778871.db2.gz LMSYAOVLURZTNB-DGCLKSJQSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000070074633 369778874 /nfs/dbraw/zinc/77/88/74/369778874.db2.gz LMSYAOVLURZTNB-DGCLKSJQSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H](CC1CC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000070101705 369781032 /nfs/dbraw/zinc/78/10/32/369781032.db2.gz HRNKVORVTZQYOL-MRXNPFEDSA-N 2 1 286.463 3.472 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000070148813 369782096 /nfs/dbraw/zinc/78/20/96/369782096.db2.gz KOTQUMDUEKEKPL-CYBMUJFWSA-N 2 1 252.789 3.043 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000070148813 369782103 /nfs/dbraw/zinc/78/21/03/369782103.db2.gz KOTQUMDUEKEKPL-CYBMUJFWSA-N 2 1 252.789 3.043 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070169423 369786855 /nfs/dbraw/zinc/78/68/55/369786855.db2.gz IYTSHVLXUWCKKY-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000084984456 370016724 /nfs/dbraw/zinc/01/67/24/370016724.db2.gz ZQUPBDWQWBMYPN-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000084984456 370016727 /nfs/dbraw/zinc/01/67/27/370016727.db2.gz ZQUPBDWQWBMYPN-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP CC[NH2+]CC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000094967564 370169446 /nfs/dbraw/zinc/16/94/46/370169446.db2.gz PIBQZMFLDHQQCD-UHFFFAOYSA-N 2 1 295.496 3.262 20 0 CGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1nccs1 ZINC000093371663 370119643 /nfs/dbraw/zinc/11/96/43/370119643.db2.gz YCRCEVXEWFYKON-GFCCVEGCSA-N 2 1 275.421 3.056 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(C)ccc1OC ZINC000093399171 370121918 /nfs/dbraw/zinc/12/19/18/370121918.db2.gz KOOARLQPIYCFPJ-RDJZCZTQSA-N 2 1 290.451 3.386 20 0 CGADMP CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000093638558 370150664 /nfs/dbraw/zinc/15/06/64/370150664.db2.gz QNNNXXGTCAKPKK-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000093638558 370150666 /nfs/dbraw/zinc/15/06/66/370150666.db2.gz QNNNXXGTCAKPKK-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000093638558 370150668 /nfs/dbraw/zinc/15/06/68/370150668.db2.gz QNNNXXGTCAKPKK-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000093643774 370150747 /nfs/dbraw/zinc/15/07/47/370150747.db2.gz QZZYBYPRISVFCX-WFASDCNBSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3cc(F)ccc3o2)CC[N@H+]1C ZINC000093643774 370150748 /nfs/dbraw/zinc/15/07/48/370150748.db2.gz QZZYBYPRISVFCX-WFASDCNBSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3cc(F)ccc3o2)CC[NH+]1C ZINC000093643774 370150749 /nfs/dbraw/zinc/15/07/49/370150749.db2.gz QZZYBYPRISVFCX-WFASDCNBSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3cc(F)ccc3o2)CC[NH+]1C ZINC000093643774 370150751 /nfs/dbraw/zinc/15/07/51/370150751.db2.gz QZZYBYPRISVFCX-WFASDCNBSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000093644075 370151039 /nfs/dbraw/zinc/15/10/39/370151039.db2.gz PYYGUBAVYYDNIW-YPMHNXCESA-N 2 1 284.806 3.394 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000093644075 370151044 /nfs/dbraw/zinc/15/10/44/370151044.db2.gz PYYGUBAVYYDNIW-YPMHNXCESA-N 2 1 284.806 3.394 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC000093644075 370151046 /nfs/dbraw/zinc/15/10/46/370151046.db2.gz PYYGUBAVYYDNIW-YPMHNXCESA-N 2 1 284.806 3.394 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC000093644075 370151050 /nfs/dbraw/zinc/15/10/50/370151050.db2.gz PYYGUBAVYYDNIW-YPMHNXCESA-N 2 1 284.806 3.394 20 0 CGADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000511972450 245015140 /nfs/dbraw/zinc/01/51/40/245015140.db2.gz KMHKECMTDBWBAD-MRXNPFEDSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000511972450 245015146 /nfs/dbraw/zinc/01/51/46/245015146.db2.gz KMHKECMTDBWBAD-MRXNPFEDSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000511972450 245015151 /nfs/dbraw/zinc/01/51/51/245015151.db2.gz KMHKECMTDBWBAD-MRXNPFEDSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCCCC1 ZINC000423258336 296159417 /nfs/dbraw/zinc/15/94/17/296159417.db2.gz BJAUSCWNSKVDAY-CZUORRHYSA-N 2 1 252.446 3.452 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CCC2 ZINC000132158765 371155784 /nfs/dbraw/zinc/15/57/84/371155784.db2.gz MHODEFFSVLFEDL-LBPRGKRZSA-N 2 1 281.469 3.006 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000537852085 376205079 /nfs/dbraw/zinc/20/50/79/376205079.db2.gz UMLHTOPBCOOWFJ-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134926021 371377326 /nfs/dbraw/zinc/37/73/26/371377326.db2.gz HPVZKYMPUSMTIM-IIDMSEBBSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134926021 371377330 /nfs/dbraw/zinc/37/73/30/371377330.db2.gz HPVZKYMPUSMTIM-IIDMSEBBSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134926021 371377334 /nfs/dbraw/zinc/37/73/34/371377334.db2.gz HPVZKYMPUSMTIM-IIDMSEBBSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134926021 371377339 /nfs/dbraw/zinc/37/73/39/371377339.db2.gz HPVZKYMPUSMTIM-IIDMSEBBSA-N 2 1 285.435 3.091 20 0 CGADMP Fc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000149469613 371529147 /nfs/dbraw/zinc/52/91/47/371529147.db2.gz UAFLAWTYSWHNII-QGZVFWFLSA-N 2 1 274.383 3.029 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000151106672 371569799 /nfs/dbraw/zinc/56/97/99/371569799.db2.gz WFMWVYVNDNIUJQ-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559310 371614389 /nfs/dbraw/zinc/61/43/89/371614389.db2.gz ASSAGBNZAPFWEE-UMVBOHGHSA-N 2 1 296.842 3.180 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]c2ccccc12 ZINC000220296798 376208260 /nfs/dbraw/zinc/20/82/60/376208260.db2.gz IQVLPYRKNDYPBW-CYBMUJFWSA-N 2 1 257.381 3.377 20 0 CGADMP CSc1cccc(F)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287416929 371652880 /nfs/dbraw/zinc/65/28/80/371652880.db2.gz JWJAHJQZGCLJCD-QWHCGFSZSA-N 2 1 294.439 3.264 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C2CC2)c(F)c1 ZINC000421861284 371685237 /nfs/dbraw/zinc/68/52/37/371685237.db2.gz VAJQVCCRAZITQB-SJKOYZFVSA-N 2 1 294.414 3.073 20 0 CGADMP Cc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000422702939 371759846 /nfs/dbraw/zinc/75/98/46/371759846.db2.gz LVZUHIATDSSVAK-CQSZACIVSA-N 2 1 269.392 3.004 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422704314 371760263 /nfs/dbraw/zinc/76/02/63/371760263.db2.gz KIWUDHAVIJPRHG-WFASDCNBSA-N 2 1 280.843 3.348 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422708424 371762421 /nfs/dbraw/zinc/76/24/21/371762421.db2.gz XMZKATRUSOWKTM-MSOLQXFVSA-N 2 1 268.404 3.460 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422716068 371765115 /nfs/dbraw/zinc/76/51/15/371765115.db2.gz TYWZNXDEZDVMOO-XJKSGUPXSA-N 2 1 278.415 3.224 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccccc2)cc1 ZINC000422727477 371770737 /nfs/dbraw/zinc/77/07/37/371770737.db2.gz CPEJRTMUXZTYPH-DNVCBOLYSA-N 2 1 280.415 3.282 20 0 CGADMP CC[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CCC[NH2+]1 ZINC000422736527 371774658 /nfs/dbraw/zinc/77/46/58/371774658.db2.gz GLDSEMLBLBKBDL-STQMWFEESA-N 2 1 295.496 3.103 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1ccccc1 ZINC000422736104 371775019 /nfs/dbraw/zinc/77/50/19/371775019.db2.gz XFTYNGDQJDLRSC-APWZRJJASA-N 2 1 282.431 3.167 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422828652 371831570 /nfs/dbraw/zinc/83/15/70/371831570.db2.gz ORZAKSRJHZIHDB-QLFBSQMISA-N 2 1 296.361 3.135 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1Oc1ccccc1)C1C[NH2+]C1 ZINC000422775885 371799523 /nfs/dbraw/zinc/79/95/23/371799523.db2.gz BQXVJPBNFJHROE-AWEZNQCLSA-N 2 1 282.387 3.176 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422776245 371799539 /nfs/dbraw/zinc/79/95/39/371799539.db2.gz CJRPOGQJWSWETE-ZIAGYGMSSA-N 2 1 299.418 3.347 20 0 CGADMP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)C3C[NH2+]C3)oc21 ZINC000422781339 371803204 /nfs/dbraw/zinc/80/32/04/371803204.db2.gz IMNPJUTUJWYCJX-RYUDHWBXSA-N 2 1 288.391 3.090 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000422785186 371805485 /nfs/dbraw/zinc/80/54/85/371805485.db2.gz PDTMLBQWSMFIEU-ULQDDVLXSA-N 2 1 267.376 3.267 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422875185 371848466 /nfs/dbraw/zinc/84/84/66/371848466.db2.gz CDXQPSWEBLDXSR-ZIAGYGMSSA-N 2 1 270.779 3.229 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954205 371861528 /nfs/dbraw/zinc/86/15/28/371861528.db2.gz ICDUKEHSFBMILO-NVXWUHKLSA-N 2 1 290.451 3.171 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954205 371861534 /nfs/dbraw/zinc/86/15/34/371861534.db2.gz ICDUKEHSFBMILO-NVXWUHKLSA-N 2 1 290.451 3.171 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954205 371861542 /nfs/dbraw/zinc/86/15/42/371861542.db2.gz ICDUKEHSFBMILO-NVXWUHKLSA-N 2 1 290.451 3.171 20 0 CGADMP C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422909729 371862729 /nfs/dbraw/zinc/86/27/29/371862729.db2.gz OWRBGNSZXWYTLT-ZBFHGGJFSA-N 2 1 290.476 3.432 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000422914955 371865492 /nfs/dbraw/zinc/86/54/92/371865492.db2.gz WUUBFYOHTJKNAV-AWEZNQCLSA-N 2 1 283.419 3.414 20 0 CGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C(C)C ZINC000154870884 371886074 /nfs/dbraw/zinc/88/60/74/371886074.db2.gz ZPYCUDGHRXBYTI-SFHVURJKSA-N 2 1 292.467 3.287 20 0 CGADMP CC[C@H]([NH2+]CCc1cc2ccccc2o1)[C@@H]1CCC[NH2+]1 ZINC000422919907 371870343 /nfs/dbraw/zinc/87/03/43/371870343.db2.gz KXSBPLWENAOSDA-HOTGVXAUSA-N 2 1 272.392 3.096 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1Cl ZINC000422948098 371886403 /nfs/dbraw/zinc/88/64/03/371886403.db2.gz ZQYWIZABIRQJQT-UONOGXRCSA-N 2 1 282.815 3.098 20 0 CGADMP CCc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000422854454 371840858 /nfs/dbraw/zinc/84/08/58/371840858.db2.gz CUTFDMNFVHHMCD-GUYCJALGSA-N 2 1 288.460 3.359 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422850362 371841384 /nfs/dbraw/zinc/84/13/84/371841384.db2.gz CZUOZJOMBANSNT-HZPDHXFCSA-N 2 1 296.455 3.438 20 0 CGADMP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423050083 371934145 /nfs/dbraw/zinc/93/41/45/371934145.db2.gz LGLOLCMKWJGRDL-DKIMLUQUSA-N 2 1 288.435 3.027 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344102840 217051477 /nfs/dbraw/zinc/05/14/77/217051477.db2.gz FOHWLVALZPAFDV-UKRRQHHQSA-N 2 1 286.419 3.356 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1c[nH+]ccc1N ZINC000422958364 371890862 /nfs/dbraw/zinc/89/08/62/371890862.db2.gz XKUQBBLLBIPLNF-SNVBAGLBSA-N 2 1 293.773 3.180 20 0 CGADMP CC(C)CSCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154960529 371892417 /nfs/dbraw/zinc/89/24/17/371892417.db2.gz ACOUYOZWVHQGOF-LSDHHAIUSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154960529 371892421 /nfs/dbraw/zinc/89/24/21/371892421.db2.gz ACOUYOZWVHQGOF-LSDHHAIUSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154960529 371892426 /nfs/dbraw/zinc/89/24/26/371892426.db2.gz ACOUYOZWVHQGOF-LSDHHAIUSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154960529 371892428 /nfs/dbraw/zinc/89/24/28/371892428.db2.gz ACOUYOZWVHQGOF-LSDHHAIUSA-N 2 1 272.502 3.180 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCCC(F)(F)F)CC[N@@H+]1C ZINC000154960077 371893018 /nfs/dbraw/zinc/89/30/18/371893018.db2.gz MLTUQUWHMBMMBM-RYUDHWBXSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCCC(F)(F)F)CC[N@H+]1C ZINC000154960077 371893029 /nfs/dbraw/zinc/89/30/29/371893029.db2.gz MLTUQUWHMBMMBM-RYUDHWBXSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCCC(F)(F)F)CC[NH+]1C ZINC000154960077 371893037 /nfs/dbraw/zinc/89/30/37/371893037.db2.gz MLTUQUWHMBMMBM-RYUDHWBXSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCC(F)(F)F)CC[NH+]1C ZINC000154960077 371893049 /nfs/dbraw/zinc/89/30/49/371893049.db2.gz MLTUQUWHMBMMBM-RYUDHWBXSA-N 2 1 266.351 3.134 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000422981532 371902265 /nfs/dbraw/zinc/90/22/65/371902265.db2.gz ORFKTTFJCZFFNA-LSDHHAIUSA-N 2 1 258.365 3.182 20 0 CGADMP C[C@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)c1c[nH+]ccc1N ZINC000422988022 371903920 /nfs/dbraw/zinc/90/39/20/371903920.db2.gz JXLRARAXIQAONJ-ZDUSSCGKSA-N 2 1 299.393 3.307 20 0 CGADMP COc1cc(C)cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423004733 371910129 /nfs/dbraw/zinc/91/01/29/371910129.db2.gz PYTHJFRDRRNNBO-ZWKOTPCHSA-N 2 1 282.387 3.238 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C1CCCC1)c1c[nH+]ccc1N ZINC000423005072 371912794 /nfs/dbraw/zinc/91/27/94/371912794.db2.gz QPEZLIXZBUKAEY-GFCCVEGCSA-N 2 1 261.413 3.361 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000423025449 371921970 /nfs/dbraw/zinc/92/19/70/371921970.db2.gz OHKMFUXDNZEXCU-WOPDTQHZSA-N 2 1 268.351 3.004 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423036644 371926480 /nfs/dbraw/zinc/92/64/80/371926480.db2.gz AURDVKKKKUKVLR-NWDGAFQWSA-N 2 1 288.439 3.409 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@H]1CCCCO1 ZINC000423041547 371928619 /nfs/dbraw/zinc/92/86/19/371928619.db2.gz JKYGNGRYJQVKAG-DZOHQFGASA-N 2 1 288.435 3.027 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC000155505219 371931365 /nfs/dbraw/zinc/93/13/65/371931365.db2.gz HFXANGDCVLBKHB-HZPDHXFCSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423095875 371960210 /nfs/dbraw/zinc/96/02/10/371960210.db2.gz NIOIUYLXXWFKPD-WNOSKKOXSA-N 2 1 276.399 3.192 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCCSC3)CC[NH2+]2)cc1 ZINC000423134664 371984766 /nfs/dbraw/zinc/98/47/66/371984766.db2.gz XIKQFYPCBPBZDB-UAGQMJEPSA-N 2 1 290.476 3.213 20 0 CGADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423087453 371954605 /nfs/dbraw/zinc/95/46/05/371954605.db2.gz ODFQTCZJBXOSMZ-BJJXKVORSA-N 2 1 296.842 3.005 20 0 CGADMP C[C@@H]([NH2+]CC1(C)CCC(C)CC1)c1c[nH+]ccc1N ZINC000423090081 371956100 /nfs/dbraw/zinc/95/61/00/371956100.db2.gz WTDIBWOFTOYZCI-MFOWVQHXSA-N 2 1 261.413 3.361 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000423187831 372014938 /nfs/dbraw/zinc/01/49/38/372014938.db2.gz NAKPDJNEJBVPSP-GOSISDBHSA-N 2 1 283.419 3.302 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1 ZINC000423194245 372019358 /nfs/dbraw/zinc/01/93/58/372019358.db2.gz YQUYTMBWUUEEKG-CQSZACIVSA-N 2 1 287.382 3.051 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCCCC1)CC2 ZINC000423198534 372023945 /nfs/dbraw/zinc/02/39/45/372023945.db2.gz GKGDLDDCWOSYKE-QGZVFWFLSA-N 2 1 288.435 3.324 20 0 CGADMP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423215455 372035935 /nfs/dbraw/zinc/03/59/35/372035935.db2.gz NYUJKGZBBQETQO-IMJJTQAJSA-N 2 1 278.827 3.003 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423299665 372049537 /nfs/dbraw/zinc/04/95/37/372049537.db2.gz QJSINLVMOJGNOR-AAEUAGOBSA-N 2 1 262.388 3.308 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000158104829 372051247 /nfs/dbraw/zinc/05/12/47/372051247.db2.gz JKXORAHPXFRJAM-CVEARBPZSA-N 2 1 274.452 3.284 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000158180618 372058726 /nfs/dbraw/zinc/05/87/26/372058726.db2.gz RGJVYERGSRAJMI-STQMWFEESA-N 2 1 293.480 3.014 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000158180618 372058734 /nfs/dbraw/zinc/05/87/34/372058734.db2.gz RGJVYERGSRAJMI-STQMWFEESA-N 2 1 293.480 3.014 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CCCCC1 ZINC000423174640 372004734 /nfs/dbraw/zinc/00/47/34/372004734.db2.gz BNQAKAFACGDWNZ-OAHLLOKOSA-N 2 1 262.372 3.064 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423177867 372006928 /nfs/dbraw/zinc/00/69/28/372006928.db2.gz JUYBLUKDVWEQGD-CQSZACIVSA-N 2 1 276.424 3.398 20 0 CGADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cnn1C(C)C ZINC000423181373 372011266 /nfs/dbraw/zinc/01/12/66/372011266.db2.gz PBHIBRNNNXLIOR-ZDUSSCGKSA-N 2 1 278.444 3.085 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000425333410 372122119 /nfs/dbraw/zinc/12/21/19/372122119.db2.gz CBBJMFRIUVXZSQ-RRFJBIMHSA-N 2 1 270.486 3.125 20 0 CGADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccn1 ZINC000159213288 372118586 /nfs/dbraw/zinc/11/85/86/372118586.db2.gz BRRGKIIKAAJAOK-MRXNPFEDSA-N 2 1 286.423 3.498 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)C1CCCC1 ZINC000423509939 372070737 /nfs/dbraw/zinc/07/07/37/372070737.db2.gz RSDZJTWREPAEJS-IAGOWNOFSA-N 2 1 276.399 3.310 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CCC2 ZINC000423501888 372071288 /nfs/dbraw/zinc/07/12/88/372071288.db2.gz LNSUDWNXTMRQAY-JSGCOSHPSA-N 2 1 293.480 3.190 20 0 CGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000158718953 372081340 /nfs/dbraw/zinc/08/13/40/372081340.db2.gz RTBUOMRWJJVKJJ-UHFFFAOYSA-N 2 1 289.467 3.059 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000424355771 372084220 /nfs/dbraw/zinc/08/42/20/372084220.db2.gz RKASPNXAULEVNS-PNKHAZJDSA-N 2 1 276.468 3.418 20 0 CGADMP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000293118511 372302609 /nfs/dbraw/zinc/30/26/09/372302609.db2.gz QWGWFJPLLDQARC-GFCCVEGCSA-N 2 1 289.810 3.276 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc4ccccc4c3)C2)C1 ZINC000293007505 372277326 /nfs/dbraw/zinc/27/73/26/372277326.db2.gz PJSDAQAMKJMRPV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc4ccccc4c3)C2)C1 ZINC000293007505 372277334 /nfs/dbraw/zinc/27/73/34/372277334.db2.gz PJSDAQAMKJMRPV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc4ccccc4c3)C2)C1 ZINC000293007505 372277339 /nfs/dbraw/zinc/27/73/39/372277339.db2.gz PJSDAQAMKJMRPV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc4ccccc4c3)C2)C1 ZINC000293007505 372277343 /nfs/dbraw/zinc/27/73/43/372277343.db2.gz PJSDAQAMKJMRPV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429039927 372307602 /nfs/dbraw/zinc/30/76/02/372307602.db2.gz JSZRGIOHNXPKBK-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429039927 372307606 /nfs/dbraw/zinc/30/76/06/372307606.db2.gz JSZRGIOHNXPKBK-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429039927 372307611 /nfs/dbraw/zinc/30/76/11/372307611.db2.gz JSZRGIOHNXPKBK-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP c1cc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2s1 ZINC000293225199 372330251 /nfs/dbraw/zinc/33/02/51/372330251.db2.gz YJWWZBYSUPBSQI-ZDUSSCGKSA-N 2 1 287.432 3.218 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccsc1C ZINC000293438761 372383076 /nfs/dbraw/zinc/38/30/76/372383076.db2.gz BSYDZYFQUHSDHB-UHFFFAOYSA-N 2 1 263.410 3.131 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430653268 372391745 /nfs/dbraw/zinc/39/17/45/372391745.db2.gz OPYQBFVJWIGRJP-NHYWBVRUSA-N 2 1 268.351 3.087 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430653268 372391755 /nfs/dbraw/zinc/39/17/55/372391755.db2.gz OPYQBFVJWIGRJP-NHYWBVRUSA-N 2 1 268.351 3.087 20 0 CGADMP C[C@@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000430956743 372410179 /nfs/dbraw/zinc/41/01/79/372410179.db2.gz PZFHRLDKPZKAQG-PBHICJAKSA-N 2 1 290.451 3.032 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000430958685 372410387 /nfs/dbraw/zinc/41/03/87/372410387.db2.gz YWUXNPOQXLYIMD-LBPRGKRZSA-N 2 1 284.856 3.103 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000163223599 372455691 /nfs/dbraw/zinc/45/56/91/372455691.db2.gz WNTJXBDLVPPOKB-HYVNUMGLSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000163223599 372455693 /nfs/dbraw/zinc/45/56/93/372455693.db2.gz WNTJXBDLVPPOKB-HYVNUMGLSA-N 2 1 290.476 3.135 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000293753975 372469738 /nfs/dbraw/zinc/46/97/38/372469738.db2.gz QOYRPELLGPSYER-LAVFITLUSA-N 2 1 272.436 3.110 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@H](C)C1 ZINC000164779967 372531186 /nfs/dbraw/zinc/53/11/86/372531186.db2.gz AJRYGMBUXRQASN-RHSMWYFYSA-N 2 1 292.442 3.423 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2CCCCCC2)CCCO1 ZINC000432353477 372565313 /nfs/dbraw/zinc/56/53/13/372565313.db2.gz MCHBEXCRBFWXJE-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422749 372567123 /nfs/dbraw/zinc/56/71/23/372567123.db2.gz GOFDSEOPPXCPON-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422749 372567128 /nfs/dbraw/zinc/56/71/28/372567128.db2.gz GOFDSEOPPXCPON-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166486672 372573802 /nfs/dbraw/zinc/57/38/02/372573802.db2.gz QKBUUOIATWZZPT-YYIAUSFCSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167104239 372588967 /nfs/dbraw/zinc/58/89/67/372588967.db2.gz BQOGLIDVCPCOBC-SNVBAGLBSA-N 2 1 292.320 3.274 20 0 CGADMP Cc1ccc(OC(F)F)c(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000168612664 372614298 /nfs/dbraw/zinc/61/42/98/372614298.db2.gz PIYVXCLSUJVDGB-GXTWGEPZSA-N 2 1 298.377 3.026 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000168612664 372614303 /nfs/dbraw/zinc/61/43/03/372614303.db2.gz PIYVXCLSUJVDGB-GXTWGEPZSA-N 2 1 298.377 3.026 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000168612664 372614312 /nfs/dbraw/zinc/61/43/12/372614312.db2.gz PIYVXCLSUJVDGB-GXTWGEPZSA-N 2 1 298.377 3.026 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000168612664 372614320 /nfs/dbraw/zinc/61/43/20/372614320.db2.gz PIYVXCLSUJVDGB-GXTWGEPZSA-N 2 1 298.377 3.026 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC000294236485 372622233 /nfs/dbraw/zinc/62/22/33/372622233.db2.gz OSMJLXRVTHFNRU-CHWSQXEVSA-N 2 1 252.427 3.049 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cccs1 ZINC000170793785 372665108 /nfs/dbraw/zinc/66/51/08/372665108.db2.gz GHTUBZMVNSVCPI-UHFFFAOYSA-N 2 1 254.443 3.302 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccs1 ZINC000170793785 372665112 /nfs/dbraw/zinc/66/51/12/372665112.db2.gz GHTUBZMVNSVCPI-UHFFFAOYSA-N 2 1 254.443 3.302 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cc2c1 ZINC000435368698 372753808 /nfs/dbraw/zinc/75/38/08/372753808.db2.gz BPGRVLCTYWQJNZ-STQMWFEESA-N 2 1 288.391 3.001 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435393477 372758986 /nfs/dbraw/zinc/75/89/86/372758986.db2.gz ZZLAOORFLRTJHX-HNNXBMFYSA-N 2 1 266.816 3.304 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1ccc(Br)cc1)C(C)C ZINC000435880517 372823415 /nfs/dbraw/zinc/82/34/15/372823415.db2.gz PIVLOPVOAOKGJU-UHFFFAOYSA-N 2 1 299.256 3.269 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000437108075 372845444 /nfs/dbraw/zinc/84/54/44/372845444.db2.gz MCKMMBZYEQVBNU-AVGNSLFASA-N 2 1 278.362 3.180 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000438093660 372875963 /nfs/dbraw/zinc/87/59/63/372875963.db2.gz LRHABRHEHJTAHK-GUDVDZBRSA-N 2 1 286.463 3.427 20 0 CGADMP CC[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](CC)C2)C1 ZINC000438476392 372960008 /nfs/dbraw/zinc/96/00/08/372960008.db2.gz FSPWHWVTBJUOEZ-PHZGNYQRSA-N 2 1 252.446 3.086 20 0 CGADMP CC[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](CC)C2)C1 ZINC000438476392 372960014 /nfs/dbraw/zinc/96/00/14/372960014.db2.gz FSPWHWVTBJUOEZ-PHZGNYQRSA-N 2 1 252.446 3.086 20 0 CGADMP CC[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](CC)C2)C1 ZINC000438476392 372960019 /nfs/dbraw/zinc/96/00/19/372960019.db2.gz FSPWHWVTBJUOEZ-PHZGNYQRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCSc1ccc(Cl)cc1 ZINC000442757893 373072158 /nfs/dbraw/zinc/07/21/58/373072158.db2.gz NJISYDAKIGUJDP-VXGBXAGGSA-N 2 1 284.856 3.101 20 0 CGADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442754231 373073066 /nfs/dbraw/zinc/07/30/66/373073066.db2.gz HVCSHRMPYUFZHM-UIJGJVKASA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000442925429 373128715 /nfs/dbraw/zinc/12/87/15/373128715.db2.gz VMYWSGZWOFUGKW-LBPRGKRZSA-N 2 1 281.469 3.001 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000444634402 373217131 /nfs/dbraw/zinc/21/71/31/373217131.db2.gz ALPUEDHJZRDELI-MRXNPFEDSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccccc1CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000444634402 373217134 /nfs/dbraw/zinc/21/71/34/373217134.db2.gz ALPUEDHJZRDELI-MRXNPFEDSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccccc1CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000444634402 373217137 /nfs/dbraw/zinc/21/71/37/373217137.db2.gz ALPUEDHJZRDELI-MRXNPFEDSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccccc1CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000444649054 373219701 /nfs/dbraw/zinc/21/97/01/373219701.db2.gz KVZIKEOSJNIRNU-INIZCTEOSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccccc1CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000444649054 373219704 /nfs/dbraw/zinc/21/97/04/373219704.db2.gz KVZIKEOSJNIRNU-INIZCTEOSA-N 2 1 274.452 3.065 20 0 CGADMP CCSCC[C@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444571329 373204318 /nfs/dbraw/zinc/20/43/18/373204318.db2.gz QHYZJUCZWAMRPK-HNNXBMFYSA-N 2 1 272.502 3.326 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000444675382 373230594 /nfs/dbraw/zinc/23/05/94/373230594.db2.gz LZGXHRQJGBECRR-OAGGEKHMSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000444675382 373230597 /nfs/dbraw/zinc/23/05/97/373230597.db2.gz LZGXHRQJGBECRR-OAGGEKHMSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000444675382 373230600 /nfs/dbraw/zinc/23/06/00/373230600.db2.gz LZGXHRQJGBECRR-OAGGEKHMSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000296774061 373241968 /nfs/dbraw/zinc/24/19/68/373241968.db2.gz LMMKBYVSLPIOSU-CXAGYDPISA-N 2 1 296.405 3.484 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000296774061 373241971 /nfs/dbraw/zinc/24/19/71/373241971.db2.gz LMMKBYVSLPIOSU-CXAGYDPISA-N 2 1 296.405 3.484 20 0 CGADMP CCc1ccc(C(C)(C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000298580250 373359901 /nfs/dbraw/zinc/35/99/01/373359901.db2.gz XPNBXTXWZMIHPG-UHFFFAOYSA-N 2 1 271.408 3.050 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CC(C)(C)C)C1 ZINC000448555783 373591265 /nfs/dbraw/zinc/59/12/65/373591265.db2.gz VHXJAOHXIVWCLC-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000448555783 373591269 /nfs/dbraw/zinc/59/12/69/373591269.db2.gz VHXJAOHXIVWCLC-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000448555783 373591273 /nfs/dbraw/zinc/59/12/73/373591273.db2.gz VHXJAOHXIVWCLC-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300417428 373634170 /nfs/dbraw/zinc/63/41/70/373634170.db2.gz UENNZTAFRPPONI-CVEARBPZSA-N 2 1 278.827 3.365 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000449090021 373661851 /nfs/dbraw/zinc/66/18/51/373661851.db2.gz FYWJHRXIXZQIRS-CAOSSQGBSA-N 2 1 252.446 3.133 20 0 CGADMP CSCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000178394680 373773002 /nfs/dbraw/zinc/77/30/02/373773002.db2.gz SXURFLUJKSRENO-HNNXBMFYSA-N 2 1 284.513 3.326 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000177946984 373727537 /nfs/dbraw/zinc/72/75/37/373727537.db2.gz RDAXFRGEFMNRGW-AEFFLSMTSA-N 2 1 290.451 3.002 20 0 CGADMP CCc1cc(NC[C@H](c2cccs2)[NH+](C)C)nc(C)[nH+]1 ZINC000301339267 373752624 /nfs/dbraw/zinc/75/26/24/373752624.db2.gz HUMATJJGQOTWQU-CYBMUJFWSA-N 2 1 290.436 3.124 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000178702803 373805887 /nfs/dbraw/zinc/80/58/87/373805887.db2.gz TVMGLSGSOKFOEZ-IHRRRGAJSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1ccc(C(C)(C)C[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000178975390 373823238 /nfs/dbraw/zinc/82/32/38/373823238.db2.gz RQBUGTQFVCYSGO-UHFFFAOYSA-N 2 1 274.452 3.204 20 0 CGADMP C[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000449766740 373894177 /nfs/dbraw/zinc/89/41/77/373894177.db2.gz CAXLJMHFFUZMLE-AWEZNQCLSA-N 2 1 278.415 3.393 20 0 CGADMP Cc1cc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000302578658 373900223 /nfs/dbraw/zinc/90/02/23/373900223.db2.gz RSSMYFZQXZISBC-SFHVURJKSA-N 2 1 281.403 3.467 20 0 CGADMP Clc1cccc(C2([NH2+]CCC[NH+]3CCCC3)CC2)c1 ZINC000179673083 373904248 /nfs/dbraw/zinc/90/42/48/373904248.db2.gz GOZQFPVSQFVWKF-UHFFFAOYSA-N 2 1 278.827 3.405 20 0 CGADMP CC[C@@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1F ZINC000180737311 374040478 /nfs/dbraw/zinc/04/04/78/374040478.db2.gz DUTSVPRKNANJIO-OGHNNQOOSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000180737311 374040483 /nfs/dbraw/zinc/04/04/83/374040483.db2.gz DUTSVPRKNANJIO-OGHNNQOOSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]1C[C@H](NCc2ccccc2OC2CCC2)CC[N@H+]1C ZINC000180973643 374064696 /nfs/dbraw/zinc/06/46/96/374064696.db2.gz RANDKUXELJBAEM-GOEBONIOSA-N 2 1 288.435 3.190 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCC2)CCN1C ZINC000180973643 374064700 /nfs/dbraw/zinc/06/47/00/374064700.db2.gz RANDKUXELJBAEM-GOEBONIOSA-N 2 1 288.435 3.190 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC000450391395 374097010 /nfs/dbraw/zinc/09/70/10/374097010.db2.gz MSGUOARSVOZYAV-UHFFFAOYSA-N 2 1 280.843 3.156 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C12CCC2 ZINC000181700095 374155772 /nfs/dbraw/zinc/15/57/72/374155772.db2.gz BCAHVRPBQVXERK-YESZJQIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2CCCC2)CC[N@H+]1C ZINC000181688622 374156714 /nfs/dbraw/zinc/15/67/14/374156714.db2.gz FYACOTFOPBUABC-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCCCC1(F)F ZINC000308635471 374174004 /nfs/dbraw/zinc/17/40/04/374174004.db2.gz OBIKTTZDMGWGIK-CYBMUJFWSA-N 2 1 274.399 3.276 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000309878901 374202130 /nfs/dbraw/zinc/20/21/30/374202130.db2.gz YDMSGMUNFCLPHS-QXAKKESOSA-N 2 1 284.447 3.429 20 0 CGADMP C1CC(C([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)C1 ZINC000311689023 374253534 /nfs/dbraw/zinc/25/35/34/374253534.db2.gz OICRILGQQDFCTL-JKSUJKDBSA-N 2 1 262.441 3.172 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000312980954 374296822 /nfs/dbraw/zinc/29/68/22/374296822.db2.gz AZMCYYQVCSPYQR-MRXNPFEDSA-N 2 1 262.441 3.341 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1c1ccccc1 ZINC000328202136 374361459 /nfs/dbraw/zinc/36/14/59/374361459.db2.gz SGLMSHFZHJHENR-RLZQMHOASA-N 2 1 292.426 3.374 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000453060784 374362988 /nfs/dbraw/zinc/36/29/88/374362988.db2.gz OGWQQNPSRQFVGR-RBUKOAKNSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000453060784 374363000 /nfs/dbraw/zinc/36/30/00/374363000.db2.gz OGWQQNPSRQFVGR-RBUKOAKNSA-N 2 1 284.447 3.150 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCCCCC2)CC[N@H+]1C ZINC000183329404 374402411 /nfs/dbraw/zinc/40/24/11/374402411.db2.gz KBFRYALWDGKMSP-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453332537 374425540 /nfs/dbraw/zinc/42/55/40/374425540.db2.gz AWZTZBQOYMSSHJ-SELJENAESA-N 2 1 288.410 3.274 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453335755 374429193 /nfs/dbraw/zinc/42/91/93/374429193.db2.gz DSKQGIQWCGQCQQ-FAHTYWLASA-N 2 1 264.457 3.416 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2c(O)cccc21)C1CC1 ZINC000453394844 374472636 /nfs/dbraw/zinc/47/26/36/374472636.db2.gz HJKJIYFBFHMWSK-KRWDZBQOSA-N 2 1 288.435 3.234 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)CCC2 ZINC000331761486 374545452 /nfs/dbraw/zinc/54/54/52/374545452.db2.gz BWEFFAILLMNNPB-LSDHHAIUSA-N 2 1 293.480 3.326 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090469047 541961971 /nfs/dbraw/zinc/96/19/71/541961971.db2.gz CBMGBOYZICMRIC-DLBZAZTESA-N 2 1 272.436 3.062 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000090798181 541963405 /nfs/dbraw/zinc/96/34/05/541963405.db2.gz QGQNSTOHVZFKJU-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(C)s1 ZINC000334432189 374744751 /nfs/dbraw/zinc/74/47/51/374744751.db2.gz WRXPIBRYYYHLOW-IAQYHMDHSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)s1 ZINC000334432189 374744757 /nfs/dbraw/zinc/74/47/57/374744757.db2.gz WRXPIBRYYYHLOW-IAQYHMDHSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(C)s1 ZINC000334432189 374744790 /nfs/dbraw/zinc/74/47/90/374744790.db2.gz WRXPIBRYYYHLOW-IAQYHMDHSA-N 2 1 266.454 3.137 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000459796024 374821516 /nfs/dbraw/zinc/82/15/16/374821516.db2.gz VXUXUHFOMKBCCW-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000186884814 374933276 /nfs/dbraw/zinc/93/32/76/374933276.db2.gz OCFISPGJBGHPCY-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000186993803 374952702 /nfs/dbraw/zinc/95/27/02/374952702.db2.gz CDCGKMWRARHSFQ-IEBWSBKVSA-N 2 1 286.463 3.328 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000470255252 374995506 /nfs/dbraw/zinc/99/55/06/374995506.db2.gz NXXVBPDQTBGRIJ-JJTUDDRGSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Cc2ccccc2)C1 ZINC000472576019 375024646 /nfs/dbraw/zinc/02/46/46/375024646.db2.gz YLWZYKAHLLNURO-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000472576019 375024650 /nfs/dbraw/zinc/02/46/50/375024650.db2.gz YLWZYKAHLLNURO-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000472576019 375024657 /nfs/dbraw/zinc/02/46/57/375024657.db2.gz YLWZYKAHLLNURO-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000474344087 375098018 /nfs/dbraw/zinc/09/80/18/375098018.db2.gz GFJRYCHFFOMLEE-ZDUSSCGKSA-N 2 1 292.854 3.476 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000474344087 375098025 /nfs/dbraw/zinc/09/80/25/375098025.db2.gz GFJRYCHFFOMLEE-ZDUSSCGKSA-N 2 1 292.854 3.476 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000187933382 375120789 /nfs/dbraw/zinc/12/07/89/375120789.db2.gz IRRKWKWTEHFQRK-KBPBESRZSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000187933382 375120798 /nfs/dbraw/zinc/12/07/98/375120798.db2.gz IRRKWKWTEHFQRK-KBPBESRZSA-N 2 1 266.404 3.077 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H]2CCSC2)C1 ZINC000486962596 375200011 /nfs/dbraw/zinc/20/00/11/375200011.db2.gz FAHJUQATELFIBU-OWCLPIDISA-N 2 1 284.513 3.087 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CCSC2)C1 ZINC000487271272 375214973 /nfs/dbraw/zinc/21/49/73/375214973.db2.gz QMBPRFNSPZVYBC-GJZGRUSLSA-N 2 1 284.513 3.230 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CCSC2)C1 ZINC000487271272 375214977 /nfs/dbraw/zinc/21/49/77/375214977.db2.gz QMBPRFNSPZVYBC-GJZGRUSLSA-N 2 1 284.513 3.230 20 0 CGADMP CC(C)[NH+](CCC[NH2+]C/C=C\c1ccncc1)C(C)C ZINC000487289848 375219853 /nfs/dbraw/zinc/21/98/53/375219853.db2.gz ANJWAEIKWCMBJW-ALCCZGGFSA-N 2 1 275.440 3.193 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000487569733 375257580 /nfs/dbraw/zinc/25/75/80/375257580.db2.gz FFSCWZYKCBOAHU-UHFFFAOYSA-N 2 1 294.826 3.090 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000335687373 375347602 /nfs/dbraw/zinc/34/76/02/375347602.db2.gz WQSBRMNJMKOSAT-FUHWJXTLSA-N 2 1 272.436 3.397 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[NH+](C)C ZINC000190805914 375541319 /nfs/dbraw/zinc/54/13/19/375541319.db2.gz KJLSQMZOVMXZAT-UHFFFAOYSA-N 2 1 274.330 3.055 20 0 CGADMP Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cnn1C(C)C ZINC000191103338 375577095 /nfs/dbraw/zinc/57/70/95/375577095.db2.gz VEHNXVWILGKMIX-ZDUSSCGKSA-N 2 1 280.460 3.011 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000116386626 542004117 /nfs/dbraw/zinc/00/41/17/542004117.db2.gz AEAOOEWDQAUZLQ-MSOLQXFVSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000116386620 542004273 /nfs/dbraw/zinc/00/42/73/542004273.db2.gz AEAOOEWDQAUZLQ-ROUUACIJSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C[C@H](C)O1 ZINC000192019256 375690305 /nfs/dbraw/zinc/69/03/05/375690305.db2.gz UVZZDZFIIQHDRV-MAUKXSAKSA-N 2 1 299.418 3.180 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000507524712 375711866 /nfs/dbraw/zinc/71/18/66/375711866.db2.gz JSWFPWAKWBRCDX-LSDHHAIUSA-N 2 1 252.446 3.299 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000513960149 375802584 /nfs/dbraw/zinc/80/25/84/375802584.db2.gz AZYFPORLLPEWAL-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000513960149 375802592 /nfs/dbraw/zinc/80/25/92/375802592.db2.gz AZYFPORLLPEWAL-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130231645 542062277 /nfs/dbraw/zinc/06/22/77/542062277.db2.gz AJDCOGNSWJKENQ-UXLLHSPISA-N 2 1 288.460 3.191 20 0 CGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130231645 542062280 /nfs/dbraw/zinc/06/22/80/542062280.db2.gz AJDCOGNSWJKENQ-UXLLHSPISA-N 2 1 288.460 3.191 20 0 CGADMP FCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000336657331 375896649 /nfs/dbraw/zinc/89/66/49/375896649.db2.gz QAICRMCYWPZYHG-RCCFBDPRSA-N 2 1 290.426 3.236 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336604402 375866609 /nfs/dbraw/zinc/86/66/09/375866609.db2.gz XAVMZJSBMGHXEQ-GFCCVEGCSA-N 2 1 280.362 3.101 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000193363892 375869670 /nfs/dbraw/zinc/86/96/70/375869670.db2.gz MDAKJRQMGYKNMI-RLFYNMQTSA-N 2 1 289.467 3.327 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000336850222 376010668 /nfs/dbraw/zinc/01/06/68/376010668.db2.gz WLLVNLROVXPRAE-CQSZACIVSA-N 2 1 283.419 3.421 20 0 CGADMP CCC(CC)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535083325 376024548 /nfs/dbraw/zinc/02/45/48/376024548.db2.gz XNXUSTKGIDPLBX-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000536658775 376111863 /nfs/dbraw/zinc/11/18/63/376111863.db2.gz LMAZNNJSVTWDOO-CZUORRHYSA-N 2 1 280.481 3.473 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)s1 ZINC000536658775 376111871 /nfs/dbraw/zinc/11/18/71/376111871.db2.gz LMAZNNJSVTWDOO-CZUORRHYSA-N 2 1 280.481 3.473 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)s1 ZINC000536658775 376111876 /nfs/dbraw/zinc/11/18/76/376111876.db2.gz LMAZNNJSVTWDOO-CZUORRHYSA-N 2 1 280.481 3.473 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000212736760 376138287 /nfs/dbraw/zinc/13/82/87/376138287.db2.gz MKOHJYCNTCHUHI-JTQLQIEISA-N 2 1 270.779 3.224 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccc(Cl)cc1 ZINC000337219087 376145777 /nfs/dbraw/zinc/14/57/77/376145777.db2.gz JOLZVSNLUFPNRR-UHFFFAOYSA-N 2 1 296.842 3.137 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccc(Cl)cc1 ZINC000337219087 376145781 /nfs/dbraw/zinc/14/57/81/376145781.db2.gz JOLZVSNLUFPNRR-UHFFFAOYSA-N 2 1 296.842 3.137 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCCC3)CC[N@@H+]1C ZINC000537965719 376213297 /nfs/dbraw/zinc/21/32/97/376213297.db2.gz AKAXVIOKDXFMCJ-GXTWGEPZSA-N 2 1 278.465 3.199 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCCC3)CC[N@H+]1C ZINC000537965719 376213302 /nfs/dbraw/zinc/21/33/02/376213302.db2.gz AKAXVIOKDXFMCJ-GXTWGEPZSA-N 2 1 278.465 3.199 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000221275072 376214715 /nfs/dbraw/zinc/21/47/15/376214715.db2.gz XVUOFGYVOGGMPW-GJZGRUSLSA-N 2 1 268.404 3.442 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCCC1 ZINC000538408905 376239656 /nfs/dbraw/zinc/23/96/56/376239656.db2.gz XHQVZJHOUKEVLE-MRXNPFEDSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000223247916 376249308 /nfs/dbraw/zinc/24/93/08/376249308.db2.gz QXXAAMUGXLFPGZ-UHFFFAOYSA-N 2 1 278.440 3.294 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000223247916 376249314 /nfs/dbraw/zinc/24/93/14/376249314.db2.gz QXXAAMUGXLFPGZ-UHFFFAOYSA-N 2 1 278.440 3.294 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1C ZINC000539510063 376315886 /nfs/dbraw/zinc/31/58/86/376315886.db2.gz WMQFVGUQOADYHW-XIRDDKMYSA-N 2 1 264.457 3.299 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327166 376352415 /nfs/dbraw/zinc/35/24/15/376352415.db2.gz IUPFEISZYYIURW-OLZOCXBDSA-N 2 1 266.816 3.462 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000539837471 376339714 /nfs/dbraw/zinc/33/97/14/376339714.db2.gz FCXNPRMFJHTPFP-CHWSQXEVSA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000539837471 376339721 /nfs/dbraw/zinc/33/97/21/376339721.db2.gz FCXNPRMFJHTPFP-CHWSQXEVSA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000539837471 376339724 /nfs/dbraw/zinc/33/97/24/376339724.db2.gz FCXNPRMFJHTPFP-CHWSQXEVSA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000539837471 376339728 /nfs/dbraw/zinc/33/97/28/376339728.db2.gz FCXNPRMFJHTPFP-CHWSQXEVSA-N 2 1 266.454 3.225 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000338272617 376306284 /nfs/dbraw/zinc/30/62/84/376306284.db2.gz CNZCBMURSAUXLC-UHFFFAOYSA-N 2 1 264.388 3.136 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCc3ccccc3C2)CC1 ZINC000541058314 376419601 /nfs/dbraw/zinc/41/96/01/376419601.db2.gz XMOWRQLBBOIERK-INIZCTEOSA-N 2 1 286.463 3.208 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCc3ccccc3C2)CC1 ZINC000541058314 376419608 /nfs/dbraw/zinc/41/96/08/376419608.db2.gz XMOWRQLBBOIERK-INIZCTEOSA-N 2 1 286.463 3.208 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccccc2)C[C@H]1C ZINC000338547083 376421215 /nfs/dbraw/zinc/42/12/15/376421215.db2.gz QUUHFLAEXPTOJJ-NJAFHUGGSA-N 2 1 290.451 3.179 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccccc2)C[C@H]1C ZINC000338547083 376421222 /nfs/dbraw/zinc/42/12/22/376421222.db2.gz QUUHFLAEXPTOJJ-NJAFHUGGSA-N 2 1 290.451 3.179 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)c2ccccc2)C[C@H]1C ZINC000338547083 376421227 /nfs/dbraw/zinc/42/12/27/376421227.db2.gz QUUHFLAEXPTOJJ-NJAFHUGGSA-N 2 1 290.451 3.179 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)c2ccccc2)C[C@H]1C ZINC000338547083 376421230 /nfs/dbraw/zinc/42/12/30/376421230.db2.gz QUUHFLAEXPTOJJ-NJAFHUGGSA-N 2 1 290.451 3.179 20 0 CGADMP Cc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C(C)C)s1 ZINC000226437160 376359478 /nfs/dbraw/zinc/35/94/78/376359478.db2.gz IICBHMXAQKJNQK-AWEZNQCLSA-N 2 1 266.454 3.267 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000540508138 376379963 /nfs/dbraw/zinc/37/99/63/376379963.db2.gz VBFUOVCTJMZDBS-OAHLLOKOSA-N 2 1 290.451 3.215 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000540508138 376379972 /nfs/dbraw/zinc/37/99/72/376379972.db2.gz VBFUOVCTJMZDBS-OAHLLOKOSA-N 2 1 290.451 3.215 20 0 CGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000227188467 376385845 /nfs/dbraw/zinc/38/58/45/376385845.db2.gz NUBBPBXOYBYXHJ-IRXDYDNUSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)C2CC2)CC[N@@H+]1C ZINC000227298958 376388442 /nfs/dbraw/zinc/38/84/42/376388442.db2.gz MWOJOAAXLGFILK-KYOSRNDESA-N 2 1 264.438 3.272 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)C2CC2)CC[N@H+]1C ZINC000227298958 376388448 /nfs/dbraw/zinc/38/84/48/376388448.db2.gz MWOJOAAXLGFILK-KYOSRNDESA-N 2 1 264.438 3.272 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000228538549 376440807 /nfs/dbraw/zinc/44/08/07/376440807.db2.gz RCAWWRVXKIQUKW-LALPHHSUSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000228538549 376440811 /nfs/dbraw/zinc/44/08/11/376440811.db2.gz RCAWWRVXKIQUKW-LALPHHSUSA-N 2 1 282.790 3.038 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000230226329 376498533 /nfs/dbraw/zinc/49/85/33/376498533.db2.gz WBFZULZPPQXANF-UHFFFAOYSA-N 2 1 272.795 3.299 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000230226329 376498540 /nfs/dbraw/zinc/49/85/40/376498540.db2.gz WBFZULZPPQXANF-UHFFFAOYSA-N 2 1 272.795 3.299 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000542151847 376512504 /nfs/dbraw/zinc/51/25/04/376512504.db2.gz SUFQQCIBFXRPNG-GOEBONIOSA-N 2 1 278.465 3.097 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000543137994 376611929 /nfs/dbraw/zinc/61/19/29/376611929.db2.gz CSPKEYDLJYEUSF-CZUORRHYSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000543137994 376611937 /nfs/dbraw/zinc/61/19/37/376611937.db2.gz CSPKEYDLJYEUSF-CZUORRHYSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1nccc2ccccc21 ZINC000134738197 542085419 /nfs/dbraw/zinc/08/54/19/542085419.db2.gz HPRBNOOALHFXPH-UHFFFAOYSA-N 2 1 271.408 3.056 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339065963 376657792 /nfs/dbraw/zinc/65/77/92/376657792.db2.gz CMWXZTLIFCOQNA-HZPDHXFCSA-N 2 1 290.476 3.304 20 0 CGADMP C[N@H+](C[C@@H]1CCc2ccccc2C1)C[C@H]1CCC[NH+](C)C1 ZINC000543842238 376682703 /nfs/dbraw/zinc/68/27/03/376682703.db2.gz JTTJWWMNVJXFDQ-SJORKVTESA-N 2 1 286.463 3.065 20 0 CGADMP C[NH+](C[C@@H]1CCc2ccccc2C1)C[C@H]1CCC[N@H+](C)C1 ZINC000543842238 376682705 /nfs/dbraw/zinc/68/27/05/376682705.db2.gz JTTJWWMNVJXFDQ-SJORKVTESA-N 2 1 286.463 3.065 20 0 CGADMP C[NH+](C[C@@H]1CCc2ccccc2C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000543842238 376682708 /nfs/dbraw/zinc/68/27/08/376682708.db2.gz JTTJWWMNVJXFDQ-SJORKVTESA-N 2 1 286.463 3.065 20 0 CGADMP CCOc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000236935712 376714233 /nfs/dbraw/zinc/71/42/33/376714233.db2.gz JIJMZSABNHVFMN-CQSZACIVSA-N 2 1 287.407 3.016 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245443756 376818280 /nfs/dbraw/zinc/81/82/80/376818280.db2.gz JCDWWSZJBRWNAL-RDJZCZTQSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245443756 376818289 /nfs/dbraw/zinc/81/82/89/376818289.db2.gz JCDWWSZJBRWNAL-RDJZCZTQSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245443755 376819487 /nfs/dbraw/zinc/81/94/87/376819487.db2.gz JCDWWSZJBRWNAL-DOTOQJQBSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245443755 376819493 /nfs/dbraw/zinc/81/94/93/376819493.db2.gz JCDWWSZJBRWNAL-DOTOQJQBSA-N 2 1 260.425 3.411 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000245468695 376824319 /nfs/dbraw/zinc/82/43/19/376824319.db2.gz UAOXXKQRVXXCQU-CVEARBPZSA-N 2 1 260.425 3.458 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCCCC2)[C@@H](C)C1 ZINC000245420932 376812205 /nfs/dbraw/zinc/81/22/05/376812205.db2.gz HRZYMHMKZQYLQW-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCCCC2)[C@@H](C)C1 ZINC000245420932 376812213 /nfs/dbraw/zinc/81/22/13/376812213.db2.gz HRZYMHMKZQYLQW-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000545519931 376829427 /nfs/dbraw/zinc/82/94/27/376829427.db2.gz VCIWIZORWHTNMY-PMPSAXMXSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000545519931 376829434 /nfs/dbraw/zinc/82/94/34/376829434.db2.gz VCIWIZORWHTNMY-PMPSAXMXSA-N 2 1 260.425 3.437 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000245505486 376834226 /nfs/dbraw/zinc/83/42/26/376834226.db2.gz MFFQDQLCQZRMIC-UXLLHSPISA-N 2 1 272.436 3.475 20 0 CGADMP CC(C)C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(C)C ZINC000556600062 376864076 /nfs/dbraw/zinc/86/40/76/376864076.db2.gz DNHDTMAOALGGQL-INIZCTEOSA-N 2 1 266.473 3.332 20 0 CGADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000556839947 376887459 /nfs/dbraw/zinc/88/74/59/376887459.db2.gz YODXLOYSQMJOBX-WFVVYAPDSA-N 2 1 292.467 3.035 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000556869873 376895783 /nfs/dbraw/zinc/89/57/83/376895783.db2.gz CUXYQAFTNDUCTJ-GWONACJQSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000556869873 376895785 /nfs/dbraw/zinc/89/57/85/376895785.db2.gz CUXYQAFTNDUCTJ-GWONACJQSA-N 2 1 250.430 3.026 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000556883024 376897134 /nfs/dbraw/zinc/89/71/34/376897134.db2.gz AIZKDGCCRHLLJT-IPMKNSEASA-N 2 1 286.463 3.308 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000246154431 376979721 /nfs/dbraw/zinc/97/97/21/376979721.db2.gz CPXDFWWUEOKDKC-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245810704 376912579 /nfs/dbraw/zinc/91/25/79/376912579.db2.gz ZHPXPRPTPKXCAX-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245810704 376912590 /nfs/dbraw/zinc/91/25/90/376912590.db2.gz ZHPXPRPTPKXCAX-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000245810704 376912597 /nfs/dbraw/zinc/91/25/97/376912597.db2.gz ZHPXPRPTPKXCAX-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000245810704 376912612 /nfs/dbraw/zinc/91/26/12/376912612.db2.gz ZHPXPRPTPKXCAX-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000245959250 376945426 /nfs/dbraw/zinc/94/54/26/376945426.db2.gz UMQJAXYPRPNOHQ-KBPBESRZSA-N 2 1 280.843 3.375 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1C ZINC000340372244 377025584 /nfs/dbraw/zinc/02/55/84/377025584.db2.gz WPBXXGPJRXUQHN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1C ZINC000340372244 377025587 /nfs/dbraw/zinc/02/55/87/377025587.db2.gz WPBXXGPJRXUQHN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1C ZINC000340372244 377025592 /nfs/dbraw/zinc/02/55/92/377025592.db2.gz WPBXXGPJRXUQHN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000340291183 376988170 /nfs/dbraw/zinc/98/81/70/376988170.db2.gz VADIDSQRTJOGDY-AWEZNQCLSA-N 2 1 297.393 3.110 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558259679 376993946 /nfs/dbraw/zinc/99/39/46/376993946.db2.gz TXWULQGEZZXOJF-KSZLIROESA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246572460 377056540 /nfs/dbraw/zinc/05/65/40/377056540.db2.gz BWIRKHKOTHSIDH-CZUORRHYSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246572460 377056548 /nfs/dbraw/zinc/05/65/48/377056548.db2.gz BWIRKHKOTHSIDH-CZUORRHYSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000246572460 377056556 /nfs/dbraw/zinc/05/65/56/377056556.db2.gz BWIRKHKOTHSIDH-CZUORRHYSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000246572460 377056566 /nfs/dbraw/zinc/05/65/66/377056566.db2.gz BWIRKHKOTHSIDH-CZUORRHYSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000340468860 377081018 /nfs/dbraw/zinc/08/10/18/377081018.db2.gz UVEFTIGUTCIRKT-XOYOTBSWSA-N 2 1 290.426 3.235 20 0 CGADMP C[C@@H]1C[C@H](N[C@H]2CCSc3ccc(F)cc32)CC[N@H+]1C ZINC000246841116 377103310 /nfs/dbraw/zinc/10/33/10/377103310.db2.gz AXYHAVHBMNMKGH-KYOSRNDESA-N 2 1 294.439 3.435 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CCN1C ZINC000246841116 377103321 /nfs/dbraw/zinc/10/33/21/377103321.db2.gz AXYHAVHBMNMKGH-KYOSRNDESA-N 2 1 294.439 3.435 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000340502390 377108055 /nfs/dbraw/zinc/10/80/55/377108055.db2.gz SSXCQMKPBNBIBT-OWSLCNJRSA-N 2 1 270.420 3.007 20 0 CGADMP Cc1cccc(C)c1OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247311054 377191726 /nfs/dbraw/zinc/19/17/26/377191726.db2.gz JVWDNMUYLKFQHM-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247311054 377191736 /nfs/dbraw/zinc/19/17/36/377191736.db2.gz JVWDNMUYLKFQHM-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247311054 377191744 /nfs/dbraw/zinc/19/17/44/377191744.db2.gz JVWDNMUYLKFQHM-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247311054 377191754 /nfs/dbraw/zinc/19/17/54/377191754.db2.gz JVWDNMUYLKFQHM-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246978777 377131495 /nfs/dbraw/zinc/13/14/95/377131495.db2.gz JXPFRYMYYGXGJP-HOTGVXAUSA-N 2 1 274.452 3.345 20 0 CGADMP CCC1CC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000560244578 377132926 /nfs/dbraw/zinc/13/29/26/377132926.db2.gz NLAUOSWSKKGSIB-HWOWSKLDSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC2(C)C)C1 ZINC000560244706 377133658 /nfs/dbraw/zinc/13/36/58/377133658.db2.gz DJQNPMUWKVZXRS-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000247061652 377150762 /nfs/dbraw/zinc/15/07/62/377150762.db2.gz PNGATHWWDAZYIU-KYHPRHEASA-N 2 1 274.452 3.499 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247075930 377155229 /nfs/dbraw/zinc/15/52/29/377155229.db2.gz QMIGUHCRDJAWNC-ZMSDIMECSA-N 2 1 260.425 3.253 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c21 ZINC000247142069 377167031 /nfs/dbraw/zinc/16/70/31/377167031.db2.gz WFAMZYBIPDFLSE-HOCLYGCPSA-N 2 1 285.435 3.091 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000247500113 377214294 /nfs/dbraw/zinc/21/42/94/377214294.db2.gz LPNZPVWBGAKGPZ-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOC2CCCCC2)[C@@H](C)C1 ZINC000247880203 377242256 /nfs/dbraw/zinc/24/22/56/377242256.db2.gz BNBBQSLHYDZEFS-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000562020516 377265852 /nfs/dbraw/zinc/26/58/52/377265852.db2.gz XPGHDVOQWAHGGV-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1 ZINC000248956252 377434131 /nfs/dbraw/zinc/43/41/31/377434131.db2.gz AOBYTWYBLPGSLH-GLJUWKHASA-N 2 1 299.418 3.399 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248987934 377438056 /nfs/dbraw/zinc/43/80/56/377438056.db2.gz KKLXOHSGNWGBRF-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000248860523 377415352 /nfs/dbraw/zinc/41/53/52/377415352.db2.gz MDBJXOAXSAVUEY-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249337052 377492778 /nfs/dbraw/zinc/49/27/78/377492778.db2.gz ZMQBFFUCHIXEPG-DGTMBMJNSA-N 2 1 292.389 3.426 20 0 CGADMP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000095015727 249043415 /nfs/dbraw/zinc/04/34/15/249043415.db2.gz CKQQBMVDHXCPRR-CRAIPNDOSA-N 2 1 274.452 3.457 20 0 CGADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272997814 249064268 /nfs/dbraw/zinc/06/42/68/249064268.db2.gz QXBGUECPZAYLNI-STQMWFEESA-N 2 1 299.422 3.023 20 0 CGADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272997814 249064271 /nfs/dbraw/zinc/06/42/71/249064271.db2.gz QXBGUECPZAYLNI-STQMWFEESA-N 2 1 299.422 3.023 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166551391 542174722 /nfs/dbraw/zinc/17/47/22/542174722.db2.gz KBQKCMJGLKHJCL-QXAKKESOSA-N 2 1 286.463 3.451 20 0 CGADMP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000315220320 249097832 /nfs/dbraw/zinc/09/78/32/249097832.db2.gz NXSQACMGIVAHNI-CALCHBBNSA-N 2 1 280.415 3.271 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@H](C)O1 ZINC000573671796 377560042 /nfs/dbraw/zinc/56/00/42/377560042.db2.gz PGRCUKOTAZQZRZ-LHHMISFZSA-N 2 1 294.483 3.329 20 0 CGADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000469984649 249164763 /nfs/dbraw/zinc/16/47/63/249164763.db2.gz UIQSCNFAHNBEJV-NVXWUHKLSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000516580864 249237219 /nfs/dbraw/zinc/23/72/19/249237219.db2.gz USNSWCFENFINDF-KDOFPFPSSA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000516781249 249243978 /nfs/dbraw/zinc/24/39/78/249243978.db2.gz DXHWDZFNASJBSV-KSSFIOAISA-N 2 1 268.404 3.194 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000516272830 249230399 /nfs/dbraw/zinc/23/03/99/249230399.db2.gz LUQZMSQTKZOIMP-CQSZACIVSA-N 2 1 271.408 3.274 20 0 CGADMP CC(C)c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000516348325 249231906 /nfs/dbraw/zinc/23/19/06/249231906.db2.gz SUFLQOKJFNZSQV-CYBMUJFWSA-N 2 1 281.469 3.086 20 0 CGADMP CC(C)c1ncc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000516348325 249231910 /nfs/dbraw/zinc/23/19/10/249231910.db2.gz SUFLQOKJFNZSQV-CYBMUJFWSA-N 2 1 281.469 3.086 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000518360265 249279333 /nfs/dbraw/zinc/27/93/33/249279333.db2.gz ZZWVKCFRQMBXJN-CQSZACIVSA-N 2 1 299.418 3.175 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cs2)cc1 ZINC000516970314 249252142 /nfs/dbraw/zinc/25/21/42/249252142.db2.gz HWRQJSCKPRKLII-QWHCGFSZSA-N 2 1 289.448 3.334 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000251539337 377587137 /nfs/dbraw/zinc/58/71/37/377587137.db2.gz OIAHMAFEDFWVRR-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1c(F)cccc1Cl ZINC000517371763 249264223 /nfs/dbraw/zinc/26/42/23/249264223.db2.gz FSKXBPJWUSZNLZ-VXGBXAGGSA-N 2 1 284.806 3.081 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC(C)(C)c2ccccc2)C1 ZINC000180550181 542211377 /nfs/dbraw/zinc/21/13/77/542211377.db2.gz KRNUIIVGJZNSHF-MRXNPFEDSA-N 2 1 274.452 3.238 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000180550181 542211382 /nfs/dbraw/zinc/21/13/82/542211382.db2.gz KRNUIIVGJZNSHF-MRXNPFEDSA-N 2 1 274.452 3.238 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000180550181 542211386 /nfs/dbraw/zinc/21/13/86/542211386.db2.gz KRNUIIVGJZNSHF-MRXNPFEDSA-N 2 1 274.452 3.238 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC(C)(C)c2ccccc2)CC[N@@H+]1C ZINC000180423372 542210093 /nfs/dbraw/zinc/21/00/93/542210093.db2.gz RCEPGXUKMWPSNO-NVXWUHKLSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000180423372 542210097 /nfs/dbraw/zinc/21/00/97/542210097.db2.gz RCEPGXUKMWPSNO-NVXWUHKLSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CC(C)(C)c2ccccc2)CC[NH+]1C ZINC000180423372 542210100 /nfs/dbraw/zinc/21/01/00/542210100.db2.gz RCEPGXUKMWPSNO-NVXWUHKLSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CC(C)(C)c2ccccc2)CC[NH+]1C ZINC000180423372 542210103 /nfs/dbraw/zinc/21/01/03/542210103.db2.gz RCEPGXUKMWPSNO-NVXWUHKLSA-N 2 1 274.452 3.379 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2c[nH]nc2C)c1 ZINC000180451490 542210462 /nfs/dbraw/zinc/21/04/62/542210462.db2.gz RIKNQYPAMQFMTH-CYBMUJFWSA-N 2 1 286.423 3.021 20 0 CGADMP CC(C)(C)c1cnc(C[NH+]2CCC(CC[NH3+])CC2)s1 ZINC000574209875 377634768 /nfs/dbraw/zinc/63/47/68/377634768.db2.gz ANMBPSIQYODLPJ-UHFFFAOYSA-N 2 1 281.469 3.001 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000252709041 377652474 /nfs/dbraw/zinc/65/24/74/377652474.db2.gz BVWAWPQINIMCJP-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000252696248 377652784 /nfs/dbraw/zinc/65/27/84/377652784.db2.gz XPNNCCJRQKSMAK-JZXOWHBKSA-N 2 1 272.436 3.472 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000252696248 377652788 /nfs/dbraw/zinc/65/27/88/377652788.db2.gz XPNNCCJRQKSMAK-JZXOWHBKSA-N 2 1 272.436 3.472 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000253196780 377680324 /nfs/dbraw/zinc/68/03/24/377680324.db2.gz TYUNRBKWPGKCIE-HLLBOEOZSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000261590963 377823259 /nfs/dbraw/zinc/82/32/59/377823259.db2.gz UXRWTLQJTUKKNO-CIUDSAMLSA-N 2 1 261.196 3.380 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261607294 377825721 /nfs/dbraw/zinc/82/57/21/377825721.db2.gz RQXALFPAIWXFSF-OLZOCXBDSA-N 2 1 278.465 3.087 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261607294 377825726 /nfs/dbraw/zinc/82/57/26/377825726.db2.gz RQXALFPAIWXFSF-OLZOCXBDSA-N 2 1 278.465 3.087 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000261657394 377836822 /nfs/dbraw/zinc/83/68/22/377836822.db2.gz XSSUTPQBMGHCDI-RYQLBKOJSA-N 2 1 272.436 3.171 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261660163 377837076 /nfs/dbraw/zinc/83/70/76/377837076.db2.gz DWIYKBBYPUZICZ-RCCFBDPRSA-N 2 1 272.436 3.054 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261685826 377838993 /nfs/dbraw/zinc/83/89/93/377838993.db2.gz AKJWOAQTBOAAAA-OAHLLOKOSA-N 2 1 266.816 3.162 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261940796 377871598 /nfs/dbraw/zinc/87/15/98/377871598.db2.gz MRQCSVPOWCQQEV-BJJXKVORSA-N 2 1 278.827 3.072 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(C)c1OC(F)F ZINC000261705075 377842198 /nfs/dbraw/zinc/84/21/98/377842198.db2.gz LYTMFRLJNGUBHA-MRXNPFEDSA-N 2 1 298.377 3.076 20 0 CGADMP CCC[C@@]1(C)CCC[N@@H+](CCCn2ccnc2C)C1 ZINC000342864241 377847585 /nfs/dbraw/zinc/84/75/85/377847585.db2.gz MUSXSZNQCPBOEE-INIZCTEOSA-N 2 1 263.429 3.484 20 0 CGADMP CCC[C@@]1(C)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000342864241 377847587 /nfs/dbraw/zinc/84/75/87/377847587.db2.gz MUSXSZNQCPBOEE-INIZCTEOSA-N 2 1 263.429 3.484 20 0 CGADMP CCC[C@@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000342864241 377847590 /nfs/dbraw/zinc/84/75/90/377847590.db2.gz MUSXSZNQCPBOEE-INIZCTEOSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261734871 377847708 /nfs/dbraw/zinc/84/77/08/377847708.db2.gz HSHJIYIGFLPRCY-IRXDYDNUSA-N 2 1 258.409 3.132 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)CC[NH2+]C1 ZINC000261731153 377848392 /nfs/dbraw/zinc/84/83/92/377848392.db2.gz HEVSBZGSKHTSIC-HOTGVXAUSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC[NH2+]C1 ZINC000261731153 377848394 /nfs/dbraw/zinc/84/83/94/377848394.db2.gz HEVSBZGSKHTSIC-HOTGVXAUSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261756890 377849756 /nfs/dbraw/zinc/84/97/56/377849756.db2.gz UNJLFWPZRYSNNH-UXIGCNINSA-N 2 1 296.361 3.033 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261756890 377849761 /nfs/dbraw/zinc/84/97/61/377849761.db2.gz UNJLFWPZRYSNNH-UXIGCNINSA-N 2 1 296.361 3.033 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1cccc(Cl)c1 ZINC000261807630 377855933 /nfs/dbraw/zinc/85/59/33/377855933.db2.gz HMQCNRZWODXALF-JMGFVUJMSA-N 2 1 278.827 3.113 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000261832328 377859565 /nfs/dbraw/zinc/85/95/65/377859565.db2.gz UWGDPTFOEDMUBN-SFHVURJKSA-N 2 1 266.388 3.025 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000343092915 377901483 /nfs/dbraw/zinc/90/14/83/377901483.db2.gz NKTLGEHRUMOHNE-QAPCUYQASA-N 2 1 270.420 3.007 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000575837842 377995298 /nfs/dbraw/zinc/99/52/98/377995298.db2.gz PUPYHMVRWULWRZ-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1F ZINC000343599055 378035180 /nfs/dbraw/zinc/03/51/80/378035180.db2.gz GRXVILVOOUHCAC-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1F ZINC000343599055 378035184 /nfs/dbraw/zinc/03/51/84/378035184.db2.gz GRXVILVOOUHCAC-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000578401705 378066675 /nfs/dbraw/zinc/06/66/75/378066675.db2.gz WMLZEPWEEZPCHR-WBVHZDCISA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000578401705 378066680 /nfs/dbraw/zinc/06/66/80/378066680.db2.gz WMLZEPWEEZPCHR-WBVHZDCISA-N 2 1 272.436 3.239 20 0 CGADMP CCCOCc1ccccc1CN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000343560941 378021617 /nfs/dbraw/zinc/02/16/17/378021617.db2.gz HMSIMIFQHTUNGJ-CRAIPNDOSA-N 2 1 290.451 3.043 20 0 CGADMP CCCOCc1ccccc1CN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000343560941 378021619 /nfs/dbraw/zinc/02/16/19/378021619.db2.gz HMSIMIFQHTUNGJ-CRAIPNDOSA-N 2 1 290.451 3.043 20 0 CGADMP CCc1ccc(C[N@H+](CC)CCC[NH+](C)C)s1 ZINC000577902019 378022875 /nfs/dbraw/zinc/02/28/75/378022875.db2.gz YEEBPGCPTJPTPV-UHFFFAOYSA-N 2 1 254.443 3.084 20 0 CGADMP CCc1ccc(C[N@@H+](CC)CCC[NH+](C)C)s1 ZINC000577902019 378022878 /nfs/dbraw/zinc/02/28/78/378022878.db2.gz YEEBPGCPTJPTPV-UHFFFAOYSA-N 2 1 254.443 3.084 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000268800487 378114360 /nfs/dbraw/zinc/11/43/60/378114360.db2.gz JFOHCKMKDZNWDC-CQSZACIVSA-N 2 1 257.381 3.159 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)c1cccc(O)c1 ZINC000579254220 378144789 /nfs/dbraw/zinc/14/47/89/378144789.db2.gz BHKKWLFGGFUAOB-CQSZACIVSA-N 2 1 287.407 3.141 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)c1cccc(O)c1 ZINC000579254220 378144794 /nfs/dbraw/zinc/14/47/94/378144794.db2.gz BHKKWLFGGFUAOB-CQSZACIVSA-N 2 1 287.407 3.141 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000268903593 378147334 /nfs/dbraw/zinc/14/73/34/378147334.db2.gz QTFPHGHVVVUEEU-VHSSKADRSA-N 2 1 299.418 3.135 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268721784 378095749 /nfs/dbraw/zinc/09/57/49/378095749.db2.gz IFVKETWQFXEHFG-AWEZNQCLSA-N 2 1 276.424 3.099 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc3cccnc32)[C@@H](C)C1 ZINC000268758316 378104441 /nfs/dbraw/zinc/10/44/41/378104441.db2.gz KFWDGXCXTMCLMZ-MAUKXSAKSA-N 2 1 297.446 3.097 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000579819929 378197716 /nfs/dbraw/zinc/19/77/16/378197716.db2.gz FEICBHAAAGGUOH-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000579819929 378197719 /nfs/dbraw/zinc/19/77/19/378197719.db2.gz FEICBHAAAGGUOH-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345169737 378212282 /nfs/dbraw/zinc/21/22/82/378212282.db2.gz HFRFEXGENTVAOJ-INIZCTEOSA-N 2 1 272.436 3.107 20 0 CGADMP CC[N@@H+](CCCC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000345177346 378214958 /nfs/dbraw/zinc/21/49/58/378214958.db2.gz HQVCUDLLUHRKJV-MRXNPFEDSA-N 2 1 252.446 3.421 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000268932994 378155951 /nfs/dbraw/zinc/15/59/51/378155951.db2.gz SXUZLBHSJJEPLH-CXAGYDPISA-N 2 1 299.418 3.113 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579554055 378171580 /nfs/dbraw/zinc/17/15/80/378171580.db2.gz AQSHEPVPILZDAJ-WCVJEAGWSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579554055 378171586 /nfs/dbraw/zinc/17/15/86/378171586.db2.gz AQSHEPVPILZDAJ-WCVJEAGWSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)CCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344612750 378176153 /nfs/dbraw/zinc/17/61/53/378176153.db2.gz XFLKHIVFTDFPKB-XHSDSOJGSA-N 2 1 252.446 3.370 20 0 CGADMP CC(C)CC[N@@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000344612750 378176158 /nfs/dbraw/zinc/17/61/58/378176158.db2.gz XFLKHIVFTDFPKB-XHSDSOJGSA-N 2 1 252.446 3.370 20 0 CGADMP CC(C)CC[N@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000344612750 378176159 /nfs/dbraw/zinc/17/61/59/378176159.db2.gz XFLKHIVFTDFPKB-XHSDSOJGSA-N 2 1 252.446 3.370 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc1SC ZINC000269053283 378181363 /nfs/dbraw/zinc/18/13/63/378181363.db2.gz WEELJISUVNWADN-STQMWFEESA-N 2 1 296.480 3.408 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000581913993 378279547 /nfs/dbraw/zinc/27/95/47/378279547.db2.gz IZXRMSAGRAFWGQ-YNEHKIRRSA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000581913993 378279555 /nfs/dbraw/zinc/27/95/55/378279555.db2.gz IZXRMSAGRAFWGQ-YNEHKIRRSA-N 2 1 280.378 3.426 20 0 CGADMP CCn1cccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000582162211 378288365 /nfs/dbraw/zinc/28/83/65/378288365.db2.gz YSQZCECTNILYQT-UHFFFAOYSA-N 2 1 277.456 3.060 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000580180575 378229401 /nfs/dbraw/zinc/22/94/01/378229401.db2.gz ZFTCGBSSHQOHDI-UMVBOHGHSA-N 2 1 250.430 3.028 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnccc2C)CC1 ZINC000269566176 378236352 /nfs/dbraw/zinc/23/63/52/378236352.db2.gz KORAVIFZQRJFGL-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP CC(C)c1nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ccccn21 ZINC000583268783 378315917 /nfs/dbraw/zinc/31/59/17/378315917.db2.gz NHBUJHLBDGPXTD-PBHICJAKSA-N 2 1 299.418 3.069 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000270846751 378405772 /nfs/dbraw/zinc/40/57/72/378405772.db2.gz GZBXPGLYQDJMDB-UHFFFAOYSA-N 2 1 283.419 3.245 20 0 CGADMP CCC[N@@H+](CCn1ccnc1)[C@@H](C)c1ccccc1OC ZINC000270858000 378405840 /nfs/dbraw/zinc/40/58/40/378405840.db2.gz RBBQQUUXJQACGD-HNNXBMFYSA-N 2 1 287.407 3.365 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000270846811 378406309 /nfs/dbraw/zinc/40/63/09/378406309.db2.gz GZTDKDSRYWYUOV-AWEZNQCLSA-N 2 1 269.392 3.417 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000270846811 378406312 /nfs/dbraw/zinc/40/63/12/378406312.db2.gz GZTDKDSRYWYUOV-AWEZNQCLSA-N 2 1 269.392 3.417 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C1CCCCC1 ZINC000346131305 378473596 /nfs/dbraw/zinc/47/35/96/378473596.db2.gz AOAMTDYJHPYMIF-UHFFFAOYSA-N 2 1 284.407 3.340 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC(C)(C)C1 ZINC000346136126 378474782 /nfs/dbraw/zinc/47/47/82/378474782.db2.gz PUQFCHWILYDGHQ-UHFFFAOYSA-N 2 1 284.407 3.198 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000346162496 378485830 /nfs/dbraw/zinc/48/58/30/378485830.db2.gz HGBVBBUSXPUEHL-GOSISDBHSA-N 2 1 296.418 3.340 20 0 CGADMP CCCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000346166770 378488676 /nfs/dbraw/zinc/48/86/76/378488676.db2.gz GNHWGJOSPLAPKL-UHFFFAOYSA-N 2 1 284.407 3.340 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271815529 378508639 /nfs/dbraw/zinc/50/86/39/378508639.db2.gz BJRGEYNXFWODKM-CYBMUJFWSA-N 2 1 276.449 3.321 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000271829870 378510507 /nfs/dbraw/zinc/51/05/07/378510507.db2.gz DTVYXPKJPAPSMA-ROUUACIJSA-N 2 1 270.420 3.174 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC1CCCC1 ZINC000346223912 378510905 /nfs/dbraw/zinc/51/09/05/378510905.db2.gz VCLWQKQZUQMDLA-UHFFFAOYSA-N 2 1 284.407 3.198 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)CCC1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000346594325 378637108 /nfs/dbraw/zinc/63/71/08/378637108.db2.gz MNMVONQCVNIXDX-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)CCC1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000346594325 378637117 /nfs/dbraw/zinc/63/71/17/378637117.db2.gz MNMVONQCVNIXDX-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346657920 378664407 /nfs/dbraw/zinc/66/44/07/378664407.db2.gz HIAHWEWWDVXALN-MRXNPFEDSA-N 2 1 294.487 3.060 20 0 CGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346657920 378664411 /nfs/dbraw/zinc/66/44/11/378664411.db2.gz HIAHWEWWDVXALN-MRXNPFEDSA-N 2 1 294.487 3.060 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000346692527 378677114 /nfs/dbraw/zinc/67/71/14/378677114.db2.gz ZRQVTEWKBKFAKY-CQSZACIVSA-N 2 1 286.366 3.093 20 0 CGADMP COc1ccc([C@H](C)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346693747 378679013 /nfs/dbraw/zinc/67/90/13/378679013.db2.gz PKSPOXKADWFNSE-RHSMWYFYSA-N 2 1 278.440 3.104 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346818980 378692117 /nfs/dbraw/zinc/69/21/17/378692117.db2.gz DJXNLVXQZAVARV-DUVNUKRYSA-N 2 1 284.403 3.164 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273088679 378736094 /nfs/dbraw/zinc/73/60/94/378736094.db2.gz QWKICKGDJHFVCK-HUUCEWRRSA-N 2 1 288.435 3.139 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](C)CC(C)C ZINC000347954223 378739270 /nfs/dbraw/zinc/73/92/70/378739270.db2.gz ZZKVLKYMNUZMAN-KGLIPLIRSA-N 2 1 251.418 3.099 20 0 CGADMP Cc1cnc([C@@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)s1 ZINC000347970106 378741967 /nfs/dbraw/zinc/74/19/67/378741967.db2.gz WABHEGSCYUJOME-AWEZNQCLSA-N 2 1 290.436 3.087 20 0 CGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347872860 378728813 /nfs/dbraw/zinc/72/88/13/378728813.db2.gz DQNALSCBTBVFOZ-MPGHIAIKSA-N 2 1 285.435 3.150 20 0 CGADMP CC[C@](C)(C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)OC ZINC000638365565 378778667 /nfs/dbraw/zinc/77/86/67/378778667.db2.gz INTNABXZXICALJ-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000348081111 378782123 /nfs/dbraw/zinc/78/21/23/378782123.db2.gz IFLNRESKTZPUFX-QAPCUYQASA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000348081111 378782129 /nfs/dbraw/zinc/78/21/29/378782129.db2.gz IFLNRESKTZPUFX-QAPCUYQASA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000348111198 378797512 /nfs/dbraw/zinc/79/75/12/378797512.db2.gz OASQKNGNFIJDDA-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccc(F)cc3F)C[C@@H]21 ZINC000346844068 218034383 /nfs/dbraw/zinc/03/43/83/218034383.db2.gz YQPYQODVBCRZGG-PENONZLVSA-N 2 1 292.373 3.037 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638596035 378844646 /nfs/dbraw/zinc/84/46/46/378844646.db2.gz DCNMOXLXSTWPBZ-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CC[N@@H+]1C ZINC000638706634 378882342 /nfs/dbraw/zinc/88/23/42/378882342.db2.gz HJZFUOQHDNIEBO-CXAGYDPISA-N 2 1 262.441 3.482 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CC[N@H+]1C ZINC000638706634 378882349 /nfs/dbraw/zinc/88/23/49/378882349.db2.gz HJZFUOQHDNIEBO-CXAGYDPISA-N 2 1 262.441 3.482 20 0 CGADMP C[C@@H](CC[NH2+]CCC[C@@H]1CCO1)[N@@H+](C)Cc1ccccc1 ZINC000638726414 378890201 /nfs/dbraw/zinc/89/02/01/378890201.db2.gz QSOGAYXKQVUUAS-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000348362915 378928415 /nfs/dbraw/zinc/92/84/15/378928415.db2.gz CVFXOKWLTYELSF-RHSMWYFYSA-N 2 1 293.430 3.211 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(C)c1OC(F)F ZINC000347051865 218106542 /nfs/dbraw/zinc/10/65/42/218106542.db2.gz RQCIGXDXORHSKJ-GXTWGEPZSA-N 2 1 298.377 3.074 20 0 CGADMP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638971047 378961398 /nfs/dbraw/zinc/96/13/98/378961398.db2.gz PIIGAQYTXXFWGA-CUSZFKRNSA-N 2 1 296.499 3.290 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000347062613 218109394 /nfs/dbraw/zinc/10/93/94/218109394.db2.gz ZVMCHYRXUGSBSQ-GOSISDBHSA-N 2 1 266.388 3.277 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000347062613 218109396 /nfs/dbraw/zinc/10/93/96/218109396.db2.gz ZVMCHYRXUGSBSQ-GOSISDBHSA-N 2 1 266.388 3.277 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000347016835 218092895 /nfs/dbraw/zinc/09/28/95/218092895.db2.gz ZFLGLNOCRXUWFX-IJEWVQPXSA-N 2 1 276.399 3.003 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000347024294 218096961 /nfs/dbraw/zinc/09/69/61/218096961.db2.gz QRCXRWWQPDTBQG-NKCPBHBBSA-N 2 1 280.362 3.037 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000347024294 218096963 /nfs/dbraw/zinc/09/69/63/218096963.db2.gz QRCXRWWQPDTBQG-NKCPBHBBSA-N 2 1 280.362 3.037 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)oc2cc1C ZINC000347091862 218119155 /nfs/dbraw/zinc/11/91/55/218119155.db2.gz GSLJLUMGUFIGFI-CJNGLKHVSA-N 2 1 272.392 3.219 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000276696378 378982017 /nfs/dbraw/zinc/98/20/17/378982017.db2.gz SUFHMRAAQYMDBQ-KRWDZBQOSA-N 2 1 271.408 3.258 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(C)c1OC(F)F ZINC000347110682 218125153 /nfs/dbraw/zinc/12/51/53/218125153.db2.gz PQSLQXRRLPZSGL-ZDUSSCGKSA-N 2 1 298.377 3.076 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000347317561 218188419 /nfs/dbraw/zinc/18/84/19/218188419.db2.gz GHZMSHACGJJDPT-HZPDHXFCSA-N 2 1 262.441 3.185 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000347317559 218188690 /nfs/dbraw/zinc/18/86/90/218188690.db2.gz GHZMSHACGJJDPT-CVEARBPZSA-N 2 1 262.441 3.185 20 0 CGADMP Cc1scc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000639178757 379097448 /nfs/dbraw/zinc/09/74/48/379097448.db2.gz OMWYADPGNBPNQL-IAQYHMDHSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000639178757 379097456 /nfs/dbraw/zinc/09/74/56/379097456.db2.gz OMWYADPGNBPNQL-IAQYHMDHSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000639178757 379097469 /nfs/dbraw/zinc/09/74/69/379097469.db2.gz OMWYADPGNBPNQL-IAQYHMDHSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000639178757 379097473 /nfs/dbraw/zinc/09/74/73/379097473.db2.gz OMWYADPGNBPNQL-IAQYHMDHSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277350470 379138083 /nfs/dbraw/zinc/13/80/83/379138083.db2.gz WRIJPZAJUJRPDM-WBVHZDCISA-N 2 1 260.425 3.472 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1F ZINC000277356822 379139773 /nfs/dbraw/zinc/13/97/73/379139773.db2.gz DZNVINQHJZASPJ-OAHLLOKOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1F ZINC000277356822 379139776 /nfs/dbraw/zinc/13/97/76/379139776.db2.gz DZNVINQHJZASPJ-OAHLLOKOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1ccc(CC[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000639243844 379186417 /nfs/dbraw/zinc/18/64/17/379186417.db2.gz DABLHOIVGAHORF-UHFFFAOYSA-N 2 1 260.425 3.002 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000347524279 218263310 /nfs/dbraw/zinc/26/33/10/218263310.db2.gz CBYUPIAAHKBDQL-HIFRSBDPSA-N 2 1 264.438 3.273 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2cc[nH]c21 ZINC000349341382 379237770 /nfs/dbraw/zinc/23/77/70/379237770.db2.gz BEXVEPLIDUVYAE-UHFFFAOYSA-N 2 1 273.424 3.332 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373488478 379287415 /nfs/dbraw/zinc/28/74/15/379287415.db2.gz GSKYIVDOZOPKAK-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1sccc1C ZINC000349371435 379254049 /nfs/dbraw/zinc/25/40/49/379254049.db2.gz SWLXSWXGTPFTPD-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(F)c1F ZINC000278916514 194210216 /nfs/dbraw/zinc/21/02/16/194210216.db2.gz HJGWPYSRVJSXFN-RYUDHWBXSA-N 2 1 291.345 3.075 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278941476 194222714 /nfs/dbraw/zinc/22/27/14/194222714.db2.gz KIPHTQLMHVOBQK-HUUCEWRRSA-N 2 1 299.418 3.195 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347617242 218292513 /nfs/dbraw/zinc/29/25/13/218292513.db2.gz NMRDQWDYINUQAH-UHFFFAOYSA-N 2 1 285.382 3.481 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCC(F)(F)CC1 ZINC000347617242 218292514 /nfs/dbraw/zinc/29/25/14/218292514.db2.gz NMRDQWDYINUQAH-UHFFFAOYSA-N 2 1 285.382 3.481 20 0 CGADMP c1cncc([C@H]2CCC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000374293281 379411741 /nfs/dbraw/zinc/41/17/41/379411741.db2.gz IEUQTSIJHZOAMN-YJBOKZPZSA-N 2 1 299.462 3.324 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3occc3c2)CC1 ZINC000347652654 218308296 /nfs/dbraw/zinc/30/82/96/218308296.db2.gz NJFHSGARCMGPNQ-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3occc3c2)CC1 ZINC000347652654 218308298 /nfs/dbraw/zinc/30/82/98/218308298.db2.gz NJFHSGARCMGPNQ-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682691 379545143 /nfs/dbraw/zinc/54/51/43/379545143.db2.gz JQDWALDLWMDEHS-HNNXBMFYSA-N 2 1 299.393 3.494 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639683922 379546061 /nfs/dbraw/zinc/54/60/61/379546061.db2.gz OKBUBQSEHOSGDA-OALUTQOASA-N 2 1 293.414 3.150 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000639756591 379570126 /nfs/dbraw/zinc/57/01/26/379570126.db2.gz XVTSDYCXFIFLKJ-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000347764845 218349483 /nfs/dbraw/zinc/34/94/83/218349483.db2.gz AUZQUAPXZKCGCB-MRXNPFEDSA-N 2 1 289.810 3.357 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cncc(Cl)c1 ZINC000640534696 379820560 /nfs/dbraw/zinc/82/05/60/379820560.db2.gz RYYLBKBGQBVICO-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cn1 ZINC000352758531 379944998 /nfs/dbraw/zinc/94/49/98/379944998.db2.gz ZMMZETOIUBFGHL-UHFFFAOYSA-N 2 1 297.446 3.386 20 0 CGADMP Cc1scc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1C ZINC000399909075 379946901 /nfs/dbraw/zinc/94/69/01/379946901.db2.gz WDFAJPOKBRMCTL-UHFFFAOYSA-N 2 1 264.438 3.081 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2ccccc2Oc2cccnc2)C[C@@H]1[NH3+] ZINC000641801621 380111662 /nfs/dbraw/zinc/11/16/62/380111662.db2.gz CZIMHWGXTSJAPN-DLBZAZTESA-N 2 1 297.402 3.089 20 0 CGADMP C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)CC1CC[NH+](C)CC1 ZINC000353404836 380206297 /nfs/dbraw/zinc/20/62/97/380206297.db2.gz QPNLVMGQCQVHCN-MSOLQXFVSA-N 2 1 272.436 3.064 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000286321278 380194809 /nfs/dbraw/zinc/19/48/09/380194809.db2.gz XOEGNFDXHMAAON-GDBMZVCRSA-N 2 1 277.456 3.407 20 0 CGADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414179936 380200307 /nfs/dbraw/zinc/20/03/07/380200307.db2.gz KZMLLZAGXIWXMX-NVXWUHKLSA-N 2 1 275.440 3.244 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353294414 380200960 /nfs/dbraw/zinc/20/09/60/380200960.db2.gz VHEHISBJQDUDGF-STQMWFEESA-N 2 1 286.410 3.274 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000414489919 380266682 /nfs/dbraw/zinc/26/66/82/380266682.db2.gz WLAZMCXNHGXHJC-GDBMZVCRSA-N 2 1 273.424 3.064 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)CC(F)(F)F ZINC000414275059 380208156 /nfs/dbraw/zinc/20/81/56/380208156.db2.gz VXHKXYXPNRQFQI-WUHRBBMRSA-N 2 1 278.362 3.037 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC000643066678 380210467 /nfs/dbraw/zinc/21/04/67/380210467.db2.gz RQTBHBVKSQVFQM-GVDBMIGSSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC000643066678 380210471 /nfs/dbraw/zinc/21/04/71/380210471.db2.gz RQTBHBVKSQVFQM-GVDBMIGSSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1occc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000414394794 380221272 /nfs/dbraw/zinc/22/12/72/380221272.db2.gz PVPPXWMNAAVKEI-CQSZACIVSA-N 2 1 252.402 3.044 20 0 CGADMP CC1(C)[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000643501815 380324169 /nfs/dbraw/zinc/32/41/69/380324169.db2.gz QFZMJDLWTRLHGF-BRWVUGGUSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)C[C@H](c2ccccc2)C1 ZINC000643506901 380328410 /nfs/dbraw/zinc/32/84/10/380328410.db2.gz MBKQVHXFTMKNDK-YXJHDRRASA-N 2 1 272.436 3.300 20 0 CGADMP c1ccc([C@H]2CCCC[C@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507258 380330252 /nfs/dbraw/zinc/33/02/52/380330252.db2.gz XJKPYWWBQHCKEB-IAGOWNOFSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000643511271 380333300 /nfs/dbraw/zinc/33/33/00/380333300.db2.gz KBZCKEALCULOHQ-WFASDCNBSA-N 2 1 266.454 3.176 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643514515 380336012 /nfs/dbraw/zinc/33/60/12/380336012.db2.gz KHPRITHDJWDHJC-IAGOWNOFSA-N 2 1 260.425 3.041 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000643457610 380310407 /nfs/dbraw/zinc/31/04/07/380310407.db2.gz PXKCGISHVGKMDX-GOEBONIOSA-N 2 1 290.451 3.093 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414672264 380363955 /nfs/dbraw/zinc/36/39/55/380363955.db2.gz AQADABKHLYYQOB-KKUMJFAQSA-N 2 1 276.424 3.076 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414674253 380365737 /nfs/dbraw/zinc/36/57/37/380365737.db2.gz DKTVEUOQOWTSLW-KGLIPLIRSA-N 2 1 296.842 3.039 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221590 380367998 /nfs/dbraw/zinc/36/79/98/380367998.db2.gz HLEZUBNKZSXNBW-GOEBONIOSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221590 380368001 /nfs/dbraw/zinc/36/80/01/380368001.db2.gz HLEZUBNKZSXNBW-GOEBONIOSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221590 380368007 /nfs/dbraw/zinc/36/80/07/380368007.db2.gz HLEZUBNKZSXNBW-GOEBONIOSA-N 2 1 294.414 3.009 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414690844 380376597 /nfs/dbraw/zinc/37/65/97/380376597.db2.gz AUFGRSIDWJULRP-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414710115 380383321 /nfs/dbraw/zinc/38/33/21/380383321.db2.gz RVTIGKYHLNLNNH-IRXDYDNUSA-N 2 1 290.451 3.084 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000414720765 380386921 /nfs/dbraw/zinc/38/69/21/380386921.db2.gz ZTYYXAJQEHCHPV-KRWDZBQOSA-N 2 1 260.425 3.267 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000414765807 380394298 /nfs/dbraw/zinc/39/42/98/380394298.db2.gz COJUMZFXWFWJBR-UHFFFAOYSA-N 2 1 292.732 3.280 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000414765807 380394307 /nfs/dbraw/zinc/39/43/07/380394307.db2.gz COJUMZFXWFWJBR-UHFFFAOYSA-N 2 1 292.732 3.280 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000643526686 380342429 /nfs/dbraw/zinc/34/24/29/380342429.db2.gz DRZWMJMQJSCSRL-GUYCJALGSA-N 2 1 272.367 3.046 20 0 CGADMP Cc1cccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC000414758189 380394644 /nfs/dbraw/zinc/39/46/44/380394644.db2.gz UOYDOLUEPQDBTM-JFIYKMOQSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)c(F)c(F)c1 ZINC000643545824 380357863 /nfs/dbraw/zinc/35/78/63/380357863.db2.gz CQXGVDZGHAPCCE-CMPLNLGQSA-N 2 1 298.352 3.429 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)C1CCCC1 ZINC000643543557 380357874 /nfs/dbraw/zinc/35/78/74/380357874.db2.gz ZQYNEPKJNUWZCO-HZPDHXFCSA-N 2 1 280.362 3.059 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1F ZINC000643547318 380360935 /nfs/dbraw/zinc/36/09/35/380360935.db2.gz CTZBJKXEVFIOMY-OCCSQVGLSA-N 2 1 292.398 3.160 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000414670328 380362501 /nfs/dbraw/zinc/36/25/01/380362501.db2.gz MCFUAQRVRCVIOH-IAGOWNOFSA-N 2 1 275.440 3.372 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000414670328 380362507 /nfs/dbraw/zinc/36/25/07/380362507.db2.gz MCFUAQRVRCVIOH-IAGOWNOFSA-N 2 1 275.440 3.372 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414812638 380424017 /nfs/dbraw/zinc/42/40/17/380424017.db2.gz LDCJQPYFZCBUNI-DOMZBBRYSA-N 2 1 268.832 3.378 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1c(C)oc2ccccc21 ZINC000414819143 380430456 /nfs/dbraw/zinc/43/04/56/380430456.db2.gz XZCFVDCDQTXSQT-ZDUSSCGKSA-N 2 1 260.381 3.348 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414822422 380432264 /nfs/dbraw/zinc/43/22/64/380432264.db2.gz GSVNQYJYBJLZMC-ZWKOTPCHSA-N 2 1 290.451 3.309 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000414834691 380442325 /nfs/dbraw/zinc/44/23/25/380442325.db2.gz GWHKJZWVWWNKGV-OAHLLOKOSA-N 2 1 298.377 3.285 20 0 CGADMP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1Cl ZINC000414843727 380450031 /nfs/dbraw/zinc/45/00/31/380450031.db2.gz OHKJZMMMXCNYFR-UHFFFAOYSA-N 2 1 282.815 3.100 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C3CCC3)CCCC2)CC1 ZINC000354472101 380452842 /nfs/dbraw/zinc/45/28/42/380452842.db2.gz XBIZHQMIWRJQPW-HNNXBMFYSA-N 2 1 294.483 3.188 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cnc2ccccc2c1)C1CCCCC1 ZINC000414852083 380453234 /nfs/dbraw/zinc/45/32/34/380453234.db2.gz QFUPDEFMORLNAF-GOSISDBHSA-N 2 1 283.419 3.232 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C(F)(F)F ZINC000414773847 380398947 /nfs/dbraw/zinc/39/89/47/380398947.db2.gz TZLJEMTYNGNRHE-DZGCQCFKSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C(F)(F)F ZINC000414773847 380398951 /nfs/dbraw/zinc/39/89/51/380398951.db2.gz TZLJEMTYNGNRHE-DZGCQCFKSA-N 2 1 298.352 3.198 20 0 CGADMP CC1(c2ccccc2)CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000414792222 380407502 /nfs/dbraw/zinc/40/75/02/380407502.db2.gz BYLGJRJZTOWYIW-LXPRWKDFSA-N 2 1 272.436 3.214 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414797629 380410269 /nfs/dbraw/zinc/41/02/69/380410269.db2.gz BILBZFXCQZEHPB-DLBZAZTESA-N 2 1 260.425 3.115 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414797639 380411136 /nfs/dbraw/zinc/41/11/36/380411136.db2.gz BILBZFXCQZEHPB-SJORKVTESA-N 2 1 260.425 3.115 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000414805454 380418169 /nfs/dbraw/zinc/41/81/69/380418169.db2.gz PBMQMXJEQLWIGW-UHFFFAOYSA-N 2 1 288.366 3.445 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CCCCCC1 ZINC000414858769 380460596 /nfs/dbraw/zinc/46/05/96/380460596.db2.gz LFNHTBGHYXPOJX-UHFFFAOYSA-N 2 1 298.434 3.218 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)cc2)CCCCCC1 ZINC000414863970 380463708 /nfs/dbraw/zinc/46/37/08/380463708.db2.gz YIGQCTZBRVUAOP-UHFFFAOYSA-N 2 1 298.377 3.429 20 0 CGADMP C[C@]1(C[NH2+]Cc2cnc(C3CCCC3)s2)CCC[NH2+]C1 ZINC000414901260 380481734 /nfs/dbraw/zinc/48/17/34/380481734.db2.gz JLNZHRAVTGWHKJ-INIZCTEOSA-N 2 1 293.480 3.280 20 0 CGADMP CC(C)(C)OCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000354868002 380561095 /nfs/dbraw/zinc/56/10/95/380561095.db2.gz ZIPRABJMMUBIAX-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000646002082 380796872 /nfs/dbraw/zinc/79/68/72/380796872.db2.gz KUUPFHMIPWULJW-UHFFFAOYSA-N 2 1 287.382 3.390 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1csc(C)c1 ZINC000646127552 380844137 /nfs/dbraw/zinc/84/41/37/380844137.db2.gz NOWVPVZWBYWWEE-CQSZACIVSA-N 2 1 263.410 3.073 20 0 CGADMP C(C[N@H+]1CCCC2(CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420302455 380845738 /nfs/dbraw/zinc/84/57/38/380845738.db2.gz MFZKFTBNBPJTJX-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000420322303 380849305 /nfs/dbraw/zinc/84/93/05/380849305.db2.gz SLDANGGYEDPQBP-DOTOQJQBSA-N 2 1 264.457 3.421 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357663 380852909 /nfs/dbraw/zinc/85/29/09/380852909.db2.gz DUTBTUGJENZNJQ-MSOLQXFVSA-N 2 1 270.420 3.140 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000356864301 380909508 /nfs/dbraw/zinc/90/95/08/380909508.db2.gz KQYDWDQUGJRMFT-KBPBESRZSA-N 2 1 286.423 3.136 20 0 CGADMP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357068025 381017411 /nfs/dbraw/zinc/01/74/11/381017411.db2.gz FOJHMFWTZMPJKJ-QGZVFWFLSA-N 2 1 290.451 3.096 20 0 CGADMP [NH3+]CCOCC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000357077059 381023246 /nfs/dbraw/zinc/02/32/46/381023246.db2.gz JHXTZZSMPYIRTF-UHFFFAOYSA-N 2 1 296.842 3.060 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000572558441 322343190 /nfs/dbraw/zinc/34/31/90/322343190.db2.gz AUEHKLFKZZKBRV-GVDBMIGSSA-N 2 1 284.488 3.292 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000572558441 322343192 /nfs/dbraw/zinc/34/31/92/322343192.db2.gz AUEHKLFKZZKBRV-GVDBMIGSSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)C[N@H+]1CCC[C@@H](C)C1 ZINC000357745361 381274404 /nfs/dbraw/zinc/27/44/04/381274404.db2.gz RZRLYAOAKPESKI-MUJYYYPQSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000360235100 381492409 /nfs/dbraw/zinc/49/24/09/381492409.db2.gz RQTCDFRJZKNGGU-GJZGRUSLSA-N 2 1 288.435 3.099 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000334862272 207206446 /nfs/dbraw/zinc/20/64/46/207206446.db2.gz JTBDSZNMWNQSEW-GXSJLCMTSA-N 2 1 273.207 3.224 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCOC ZINC000361175311 381659785 /nfs/dbraw/zinc/65/97/85/381659785.db2.gz NNWMJKYBTNGZEZ-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCOC ZINC000361175311 381659792 /nfs/dbraw/zinc/65/97/92/381659792.db2.gz NNWMJKYBTNGZEZ-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604438 542291549 /nfs/dbraw/zinc/29/15/49/542291549.db2.gz IYHISARURGGOSY-HEHGZKQESA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccccc1F ZINC000226604438 542291551 /nfs/dbraw/zinc/29/15/51/542291551.db2.gz IYHISARURGGOSY-HEHGZKQESA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000226591439 542291974 /nfs/dbraw/zinc/29/19/74/542291974.db2.gz IWRWTWDLBFDVIU-QBPKDAKJSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC000362393656 381972835 /nfs/dbraw/zinc/97/28/35/381972835.db2.gz UQCKSUWAXWGANU-QGZVFWFLSA-N 2 1 290.451 3.119 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000362393656 381972839 /nfs/dbraw/zinc/97/28/39/381972839.db2.gz UQCKSUWAXWGANU-QGZVFWFLSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)ccc2n1 ZINC000228688814 542298793 /nfs/dbraw/zinc/29/87/93/542298793.db2.gz MHNLHBBIPXKUFF-YOEHRIQHSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)ccc2n1 ZINC000228688798 542299070 /nfs/dbraw/zinc/29/90/70/542299070.db2.gz MHNLHBBIPXKUFF-WMLDXEAASA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000245570872 542322301 /nfs/dbraw/zinc/32/23/01/542322301.db2.gz BFUWAIJMQZAASF-MCIONIFRSA-N 2 1 295.496 3.470 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000251559034 542346385 /nfs/dbraw/zinc/34/63/85/542346385.db2.gz BKPGBRGEWIIVJK-YWPYICTPSA-N 2 1 298.377 3.408 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)s1 ZINC000251074578 542345087 /nfs/dbraw/zinc/34/50/87/542345087.db2.gz KQVROAQSDDTMJV-GOEBONIOSA-N 2 1 278.465 3.329 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412649 542349563 /nfs/dbraw/zinc/34/95/63/542349563.db2.gz AJVKBISMWNKRRL-NVXWUHKLSA-N 2 1 290.476 3.373 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412649 542349569 /nfs/dbraw/zinc/34/95/69/542349569.db2.gz AJVKBISMWNKRRL-NVXWUHKLSA-N 2 1 290.476 3.373 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415522 542349896 /nfs/dbraw/zinc/34/98/96/542349896.db2.gz LFNBXQUEVYINQP-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252714875 542351102 /nfs/dbraw/zinc/35/11/02/542351102.db2.gz TYUQTRBLMKFQPB-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423449748 532993050 /nfs/dbraw/zinc/99/30/50/532993050.db2.gz RZMWUYROFZVTCG-RDBSUJKOSA-N 2 1 269.392 3.135 20 0 CGADMP CSc1ccccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424290647 533040147 /nfs/dbraw/zinc/04/01/47/533040147.db2.gz NEEZTMSVSQOBLS-AWEZNQCLSA-N 2 1 290.476 3.373 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccsc1 ZINC000289409271 197332960 /nfs/dbraw/zinc/33/29/60/197332960.db2.gz HNVYUEDMKXUVDA-UHFFFAOYSA-N 2 1 252.427 3.056 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccsc1 ZINC000289409271 197332961 /nfs/dbraw/zinc/33/29/61/197332961.db2.gz HNVYUEDMKXUVDA-UHFFFAOYSA-N 2 1 252.427 3.056 20 0 CGADMP CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCn1cc[nH+]c1C ZINC000289355356 197309191 /nfs/dbraw/zinc/30/91/91/197309191.db2.gz GRZRZFNHKFKZAR-KRWDZBQOSA-N 2 1 287.407 3.283 20 0 CGADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000289355356 197309192 /nfs/dbraw/zinc/30/91/92/197309192.db2.gz GRZRZFNHKFKZAR-KRWDZBQOSA-N 2 1 287.407 3.283 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000350262404 219003724 /nfs/dbraw/zinc/00/37/24/219003724.db2.gz ZGSKZJAWWHDRHV-FUHWJXTLSA-N 2 1 290.451 3.180 20 0 CGADMP COC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423350544 533090694 /nfs/dbraw/zinc/09/06/94/533090694.db2.gz XTJRMCSOKMZIDY-HOTGVXAUSA-N 2 1 296.842 3.007 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000312000985 542431512 /nfs/dbraw/zinc/43/15/12/542431512.db2.gz GVPYYKWFDMPDEC-DJIMGWMZSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CC[C@H]1C1CC1)C2 ZINC000348088223 542514184 /nfs/dbraw/zinc/51/41/84/542514184.db2.gz QUKHOGJXJOYAJA-OALUTQOASA-N 2 1 284.447 3.213 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CC[C@H]1C1CC1)C2 ZINC000348088223 542514188 /nfs/dbraw/zinc/51/41/88/542514188.db2.gz QUKHOGJXJOYAJA-OALUTQOASA-N 2 1 284.447 3.213 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1scnc1C1CC1 ZINC000349418420 542525472 /nfs/dbraw/zinc/52/54/72/542525472.db2.gz NPZGTJKDSJLMBT-UHFFFAOYSA-N 2 1 290.436 3.048 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1scnc1C1CC1 ZINC000349418420 542525475 /nfs/dbraw/zinc/52/54/75/542525475.db2.gz NPZGTJKDSJLMBT-UHFFFAOYSA-N 2 1 290.436 3.048 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCC23CCOCC3)([NH+](C)C)C1 ZINC000370024023 296455157 /nfs/dbraw/zinc/45/51/57/296455157.db2.gz ZQHMBWOLUBOXLG-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1csc(Cl)c1 ZINC000423568609 533384317 /nfs/dbraw/zinc/38/43/17/533384317.db2.gz VRKYZFCFVPINSL-SECBINFHSA-N 2 1 258.818 3.194 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2ccccc2c1 ZINC000423328029 533411336 /nfs/dbraw/zinc/41/13/36/533411336.db2.gz RUPBVSKVWMPIQY-SJKOYZFVSA-N 2 1 254.377 3.228 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423321059 533411776 /nfs/dbraw/zinc/41/17/76/533411776.db2.gz FXYMELVIEBCWKS-PBHICJAKSA-N 2 1 276.424 3.044 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)C1CCCCCC1 ZINC000423489508 533433331 /nfs/dbraw/zinc/43/33/31/533433331.db2.gz XGVVMMQSNINEGS-TZMCWYRMSA-N 2 1 274.399 3.180 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(OC(F)F)c1 ZINC000423497935 533511557 /nfs/dbraw/zinc/51/15/57/533511557.db2.gz ANUMWGIWYGWITL-ABAIWWIYSA-N 2 1 298.377 3.456 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000156166221 533543475 /nfs/dbraw/zinc/54/34/75/533543475.db2.gz PMPWWEDNFZUPIF-ZOWXZIJZSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000156166221 533543481 /nfs/dbraw/zinc/54/34/81/533543481.db2.gz PMPWWEDNFZUPIF-ZOWXZIJZSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380491261 542595162 /nfs/dbraw/zinc/59/51/62/542595162.db2.gz WJAQWHDXJDWEAG-WQGACYEGSA-N 2 1 280.362 3.087 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380491261 542595164 /nfs/dbraw/zinc/59/51/64/542595164.db2.gz WJAQWHDXJDWEAG-WQGACYEGSA-N 2 1 280.362 3.087 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2occc21 ZINC000190941205 130163813 /nfs/dbraw/zinc/16/38/13/130163813.db2.gz BMOMMBZJEAIUSG-OAHLLOKOSA-N 2 1 273.380 3.232 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC1(C)C ZINC000397784400 542618014 /nfs/dbraw/zinc/61/80/14/542618014.db2.gz JTXJAVXGYLQFCY-AQBKWJQSSA-N 2 1 264.457 3.416 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397784400 542618019 /nfs/dbraw/zinc/61/80/19/542618019.db2.gz JTXJAVXGYLQFCY-AQBKWJQSSA-N 2 1 264.457 3.416 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000411308232 542630242 /nfs/dbraw/zinc/63/02/42/542630242.db2.gz HYCPZURFQXMERS-QXAKKESOSA-N 2 1 284.447 3.350 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000414919957 542639253 /nfs/dbraw/zinc/63/92/53/542639253.db2.gz WFMZGWXQNYVPLU-GHMZBOCLSA-N 2 1 270.779 3.147 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000414910582 542639535 /nfs/dbraw/zinc/63/95/35/542639535.db2.gz DFSBMSDNQLFBOX-BDAKNGLRSA-N 2 1 279.236 3.414 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037649331 391981957 /nfs/dbraw/zinc/98/19/57/391981957.db2.gz RVYFSJDJSOWELF-HZPDHXFCSA-N 2 1 272.436 3.438 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000052336931 392078527 /nfs/dbraw/zinc/07/85/27/392078527.db2.gz GIOBJTNXUBGYOL-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000054242593 392090525 /nfs/dbraw/zinc/09/05/25/392090525.db2.gz FZYNPWGMTVCWNV-FRRDWIJNSA-N 2 1 278.362 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000061360045 392127830 /nfs/dbraw/zinc/12/78/30/392127830.db2.gz PBZITTRBJPIWSN-GBOPCIDUSA-N 2 1 278.465 3.444 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000079675981 392221483 /nfs/dbraw/zinc/22/14/83/392221483.db2.gz MDGRTXZFEBZIAF-NFAWXSAZSA-N 2 1 252.446 3.274 20 0 CGADMP c1ccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c2c1 ZINC000096474217 392256185 /nfs/dbraw/zinc/25/61/85/392256185.db2.gz HUPDLWDNPKVMDY-UONOGXRCSA-N 2 1 267.376 3.274 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000245632603 131087553 /nfs/dbraw/zinc/08/75/53/131087553.db2.gz QNZDXYGMSZGIPD-MSOLQXFVSA-N 2 1 287.451 3.047 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246899018 131098410 /nfs/dbraw/zinc/09/84/10/131098410.db2.gz FTHLBZGLGSLTNJ-MAUKXSAKSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C2CCCCC2)CC[N@@H+]1C ZINC000362305705 392413348 /nfs/dbraw/zinc/41/33/48/392413348.db2.gz VEUHERQCYCAYOM-OJLVUWQFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C2CCCCC2)CC[N@H+]1C ZINC000362305705 392413351 /nfs/dbraw/zinc/41/33/51/392413351.db2.gz VEUHERQCYCAYOM-OJLVUWQFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125252728 392438828 /nfs/dbraw/zinc/43/88/28/392438828.db2.gz OGHFEZMYAMOYSY-JMGFVUJMSA-N 2 1 278.827 3.460 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130182481 392453708 /nfs/dbraw/zinc/45/37/08/392453708.db2.gz ZZOWDWKIMFMTLI-MELADBBJSA-N 2 1 264.438 3.334 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCSc2c(F)cccc21)C[NH+](C)C ZINC000293730220 392526572 /nfs/dbraw/zinc/52/65/72/392526572.db2.gz QACPYLVYRCMVMF-FZMZJTMJSA-N 2 1 282.428 3.150 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCC2 ZINC000295980905 392552963 /nfs/dbraw/zinc/55/29/63/392552963.db2.gz OSNASZFQYLLXRX-RIJRJKGBSA-N 2 1 284.447 3.451 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000372182004 392591316 /nfs/dbraw/zinc/59/13/16/392591316.db2.gz WQDGVCPMCZOJNM-GPOOKRAHSA-N 2 1 274.383 3.055 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccnc1 ZINC000164152261 392605932 /nfs/dbraw/zinc/60/59/32/392605932.db2.gz OPWRVEJIMGYUEU-JOCBIADPSA-N 2 1 289.467 3.140 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000647283779 392635820 /nfs/dbraw/zinc/63/58/20/392635820.db2.gz MVDNYZGTKBKHRE-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)CCn1cccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000373014149 392657355 /nfs/dbraw/zinc/65/73/55/392657355.db2.gz KWROROIPGCAYPU-QGZVFWFLSA-N 2 1 291.483 3.450 20 0 CGADMP CC(C)CCn1cccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000373014149 392657360 /nfs/dbraw/zinc/65/73/60/392657360.db2.gz KWROROIPGCAYPU-QGZVFWFLSA-N 2 1 291.483 3.450 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000334430225 392727484 /nfs/dbraw/zinc/72/74/84/392727484.db2.gz ZXBWSBRJOJJHJI-ZFWWWQNUSA-N 2 1 280.362 3.209 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000334430225 392727487 /nfs/dbraw/zinc/72/74/87/392727487.db2.gz ZXBWSBRJOJJHJI-ZFWWWQNUSA-N 2 1 280.362 3.209 20 0 CGADMP CCCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506567210 392728762 /nfs/dbraw/zinc/72/87/62/392728762.db2.gz QJMZPOFQNOIQFB-ROUUACIJSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506567210 392728768 /nfs/dbraw/zinc/72/87/68/392728768.db2.gz QJMZPOFQNOIQFB-ROUUACIJSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506567210 392728775 /nfs/dbraw/zinc/72/87/75/392728775.db2.gz QJMZPOFQNOIQFB-ROUUACIJSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506567210 392728778 /nfs/dbraw/zinc/72/87/78/392728778.db2.gz QJMZPOFQNOIQFB-ROUUACIJSA-N 2 1 296.499 3.390 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647499104 392742382 /nfs/dbraw/zinc/74/23/82/392742382.db2.gz ZLRARPYHVRDYBO-VYDXJSESSA-N 2 1 260.425 3.239 20 0 CGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000647515888 392748148 /nfs/dbraw/zinc/74/81/48/392748148.db2.gz VKKYUMZTYWOVHF-WBVHZDCISA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000647552739 392765417 /nfs/dbraw/zinc/76/54/17/392765417.db2.gz UJAXDYRLXBVOJQ-VXGBXAGGSA-N 2 1 275.421 3.026 20 0 CGADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000647369066 392709711 /nfs/dbraw/zinc/70/97/11/392709711.db2.gz FIIBXEYDPWPUIE-JKSUJKDBSA-N 2 1 264.457 3.134 20 0 CGADMP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335836316 392819384 /nfs/dbraw/zinc/81/93/84/392819384.db2.gz VSWNHAXOCOWZIX-LEOMRAHMSA-N 2 1 288.410 3.420 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903565 392828519 /nfs/dbraw/zinc/82/85/19/392828519.db2.gz MCMOWXRXHXSLCQ-QWHCGFSZSA-N 2 1 278.362 3.183 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902824 392829147 /nfs/dbraw/zinc/82/91/47/392829147.db2.gz CNCHPYVNHROJIN-GOEBONIOSA-N 2 1 290.476 3.373 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924150 392834981 /nfs/dbraw/zinc/83/49/81/392834981.db2.gz IXBFFUSZIMVVRA-LLVKDONJSA-N 2 1 252.789 3.214 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000647997533 392860193 /nfs/dbraw/zinc/86/01/93/392860193.db2.gz LSIFAYGUECWCQW-GDBMZVCRSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392282170 392929894 /nfs/dbraw/zinc/92/98/94/392929894.db2.gz RYGWJUIHQRCBLH-CVEARBPZSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000459530342 392945829 /nfs/dbraw/zinc/94/58/29/392945829.db2.gz PJCAPFIBKXBCQF-QLFBSQMISA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+]1Cc2ccccc2[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000535266244 542750582 /nfs/dbraw/zinc/75/05/82/542750582.db2.gz QSIRVXQBIQAEDV-LJQANCHMSA-N 2 1 289.382 3.255 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccco2)C[C@H]1c1ccccc1 ZINC000340186721 392965548 /nfs/dbraw/zinc/96/55/48/392965548.db2.gz YMBWNFYZWBJCAD-WMZOPIPTSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccco2)C[C@H]1c1ccccc1 ZINC000340186721 392965555 /nfs/dbraw/zinc/96/55/55/392965555.db2.gz YMBWNFYZWBJCAD-WMZOPIPTSA-N 2 1 284.403 3.247 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@]1(C)CCCO1 ZINC000340187190 392966342 /nfs/dbraw/zinc/96/63/42/392966342.db2.gz UWJTZWCVKGAYPQ-IKGGRYGDSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)CC[C@@H]1CCCC[NH+]1C ZINC000340281640 392967189 /nfs/dbraw/zinc/96/71/89/392967189.db2.gz WTRSPSXSKFHQEN-ZWKOTPCHSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000340281640 392967199 /nfs/dbraw/zinc/96/71/99/392967199.db2.gz WTRSPSXSKFHQEN-ZWKOTPCHSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000340281640 392967204 /nfs/dbraw/zinc/96/72/04/392967204.db2.gz WTRSPSXSKFHQEN-ZWKOTPCHSA-N 2 1 295.515 3.056 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000340376718 392971997 /nfs/dbraw/zinc/97/19/97/392971997.db2.gz GUQJOOCAGVPSFW-LSDHHAIUSA-N 2 1 294.389 3.457 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000340376718 392972006 /nfs/dbraw/zinc/97/20/06/392972006.db2.gz GUQJOOCAGVPSFW-LSDHHAIUSA-N 2 1 294.389 3.457 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648413264 393004212 /nfs/dbraw/zinc/00/42/12/393004212.db2.gz PMWOCLCHTRJBEQ-DNVCBOLYSA-N 2 1 297.446 3.365 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000648424245 393010615 /nfs/dbraw/zinc/01/06/15/393010615.db2.gz NNNLCNMUVLCJFN-FHWLQOOXSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000648424245 393010619 /nfs/dbraw/zinc/01/06/19/393010619.db2.gz NNNLCNMUVLCJFN-FHWLQOOXSA-N 2 1 284.447 3.150 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648448185 393021643 /nfs/dbraw/zinc/02/16/43/393021643.db2.gz AJOGNJAEDWMITJ-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648448185 393021649 /nfs/dbraw/zinc/02/16/49/393021649.db2.gz AJOGNJAEDWMITJ-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCC1 ZINC000648452222 393023718 /nfs/dbraw/zinc/02/37/18/393023718.db2.gz ODRWXHYEZIWNKA-QZTJIDSGSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000346480740 393088901 /nfs/dbraw/zinc/08/89/01/393088901.db2.gz FZEIVYJKTMYVQD-DZVNLGKHSA-N 2 1 296.499 3.290 20 0 CGADMP CCCCCOc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OC ZINC000415023191 393099745 /nfs/dbraw/zinc/09/97/45/393099745.db2.gz WGGLKFCLADNTSK-KBPBESRZSA-N 2 1 294.439 3.090 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000414180379 393042410 /nfs/dbraw/zinc/04/24/10/393042410.db2.gz AZZLRWFZSQOJOF-WLGNDBIMSA-N 2 1 264.457 3.131 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414761623 393054951 /nfs/dbraw/zinc/05/49/51/393054951.db2.gz UHJCRYDRWDFZBN-HOTGVXAUSA-N 2 1 272.436 3.050 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC000546626618 393060274 /nfs/dbraw/zinc/06/02/74/393060274.db2.gz YFVGLUWNMAKCSX-WSWKGWCUSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC000546626618 393060276 /nfs/dbraw/zinc/06/02/76/393060276.db2.gz YFVGLUWNMAKCSX-WSWKGWCUSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414954774 393062403 /nfs/dbraw/zinc/06/24/03/393062403.db2.gz KVVXJYVRMZLUEV-RNCFNFMXSA-N 2 1 273.207 3.081 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414972160 393073039 /nfs/dbraw/zinc/07/30/39/393073039.db2.gz ACLVNLSRXOIAOX-CYBMUJFWSA-N 2 1 260.406 3.242 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1cccc(Cl)c1 ZINC000415047209 393111172 /nfs/dbraw/zinc/11/11/72/393111172.db2.gz VSKROOXREKMSIN-SMDDNHRTSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052294 393114476 /nfs/dbraw/zinc/11/44/76/393114476.db2.gz NCSSDVKRKNKJAY-FUHWJXTLSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000415053659 393114537 /nfs/dbraw/zinc/11/45/37/393114537.db2.gz OZSJXJFWHMUOOG-AEFFLSMTSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc2n1 ZINC000415056911 393116989 /nfs/dbraw/zinc/11/69/89/393116989.db2.gz QZRKLTXDZZPXLL-INIZCTEOSA-N 2 1 271.408 3.006 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000415061901 393121738 /nfs/dbraw/zinc/12/17/38/393121738.db2.gz YZYCXCSFKKROOC-CQSZACIVSA-N 2 1 262.422 3.364 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415066042 393126671 /nfs/dbraw/zinc/12/66/71/393126671.db2.gz IMPFJXXMWAVZSJ-ZFWWWQNUSA-N 2 1 278.465 3.071 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415072676 393130040 /nfs/dbraw/zinc/13/00/40/393130040.db2.gz YNBOQRDKHXSACB-BBRMVZONSA-N 2 1 292.492 3.447 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccnc1 ZINC000415079114 393132169 /nfs/dbraw/zinc/13/21/69/393132169.db2.gz HHKATQZIWGKGBG-QGTPRVQTSA-N 2 1 281.403 3.226 20 0 CGADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1OC1CCC1 ZINC000415085111 393138135 /nfs/dbraw/zinc/13/81/35/393138135.db2.gz HWXGHSNUWZQMKD-GOEBONIOSA-N 2 1 288.435 3.238 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415102645 393144791 /nfs/dbraw/zinc/14/47/91/393144791.db2.gz BHYSEBXJIWCFLS-HEHGZKQESA-N 2 1 279.403 3.182 20 0 CGADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000415104068 393147048 /nfs/dbraw/zinc/14/70/48/393147048.db2.gz DMJAPKDXDGGKPG-KZNAEPCWSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353572630 393225982 /nfs/dbraw/zinc/22/59/82/393225982.db2.gz YLGQXEMJHQOGMX-OAHLLOKOSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353572630 393225991 /nfs/dbraw/zinc/22/59/91/393225991.db2.gz YLGQXEMJHQOGMX-OAHLLOKOSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)n1nccc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000353924355 393235675 /nfs/dbraw/zinc/23/56/75/393235675.db2.gz BPULNUPAGDSNTQ-INIZCTEOSA-N 2 1 292.471 3.066 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000270649999 393239809 /nfs/dbraw/zinc/23/98/09/393239809.db2.gz OOMCLCNJFUUAIN-OAHLLOKOSA-N 2 1 287.382 3.210 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000270649999 393239811 /nfs/dbraw/zinc/23/98/11/393239811.db2.gz OOMCLCNJFUUAIN-OAHLLOKOSA-N 2 1 287.382 3.210 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000469798020 393216576 /nfs/dbraw/zinc/21/65/76/393216576.db2.gz CXKMSCPPMWOJDM-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000469798020 393216583 /nfs/dbraw/zinc/21/65/83/393216583.db2.gz CXKMSCPPMWOJDM-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272437778 393261519 /nfs/dbraw/zinc/26/15/19/393261519.db2.gz IGJGKEBEEBSZDH-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000475332505 393393573 /nfs/dbraw/zinc/39/35/73/393393573.db2.gz HKVRSEGJZFEYJC-WBVHZDCISA-N 2 1 262.441 3.328 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000474867979 393352967 /nfs/dbraw/zinc/35/29/67/393352967.db2.gz KLYXDCBDAKBQPW-KSZLIROESA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000474867979 393352969 /nfs/dbraw/zinc/35/29/69/393352969.db2.gz KLYXDCBDAKBQPW-KSZLIROESA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356171618 393367631 /nfs/dbraw/zinc/36/76/31/393367631.db2.gz ULPSWNJMTFFSHH-UHFFFAOYSA-N 2 1 286.822 3.342 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC[N@H+](C)C(C)C ZINC000479527480 393433746 /nfs/dbraw/zinc/43/37/46/393433746.db2.gz MRJINYVPPJGYRQ-HZPDHXFCSA-N 2 1 252.446 3.299 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420294969 393452021 /nfs/dbraw/zinc/45/20/21/393452021.db2.gz BPYDPXBDOIZRNU-DOTOQJQBSA-N 2 1 260.425 3.315 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000420299840 393455709 /nfs/dbraw/zinc/45/57/09/393455709.db2.gz JNLRBXFXLWAXDF-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1C ZINC000420300540 393456031 /nfs/dbraw/zinc/45/60/31/393456031.db2.gz HZILWBQRRREVOX-INIZCTEOSA-N 2 1 260.425 3.207 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000427606744 393457262 /nfs/dbraw/zinc/45/72/62/393457262.db2.gz NIQZPYJLRQNXBN-ZWKOTPCHSA-N 2 1 274.452 3.184 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420304422 393457295 /nfs/dbraw/zinc/45/72/95/393457295.db2.gz OLPBINHSDSZXAX-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@@H]([NH3+])C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000420307111 393457495 /nfs/dbraw/zinc/45/74/95/393457495.db2.gz RBPSSPQQZQVYCE-MRVPVSSYSA-N 2 1 261.196 3.165 20 0 CGADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)C(C)C ZINC000420310066 393459205 /nfs/dbraw/zinc/45/92/05/393459205.db2.gz UUVOMLWDUZLSBP-GOEBONIOSA-N 2 1 278.440 3.104 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc2ccccc2s1 ZINC000420308952 393459326 /nfs/dbraw/zinc/45/93/26/393459326.db2.gz SPDAXNMHCRJWLF-CYBMUJFWSA-N 2 1 289.448 3.118 20 0 CGADMP C[C@@H]1SCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000420312725 393461492 /nfs/dbraw/zinc/46/14/92/393461492.db2.gz XCCCSNYOBUDJMF-ZMSDIMECSA-N 2 1 290.476 3.165 20 0 CGADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000420318779 393462902 /nfs/dbraw/zinc/46/29/02/393462902.db2.gz OWVIPSQJCDGVEI-HNNXBMFYSA-N 2 1 278.415 3.426 20 0 CGADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C1CCCCC1 ZINC000420319345 393463135 /nfs/dbraw/zinc/46/31/35/393463135.db2.gz PGSFGSFAVUKJFX-INIZCTEOSA-N 2 1 290.451 3.392 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420318861 393463420 /nfs/dbraw/zinc/46/34/20/393463420.db2.gz PBVFXGBJDKHRAJ-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCOc1cccc(Cl)c1)C1CCCCC1 ZINC000420353219 393471800 /nfs/dbraw/zinc/47/18/00/393471800.db2.gz BKHQIEGTPGWUJB-INIZCTEOSA-N 2 1 296.842 3.216 20 0 CGADMP COC1(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000429525049 393473518 /nfs/dbraw/zinc/47/35/18/393473518.db2.gz ZMJKROLQDSYZIX-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP CSc1ccccc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420364725 393474851 /nfs/dbraw/zinc/47/48/51/393474851.db2.gz KOVRPZPCFAGHGM-HNNXBMFYSA-N 2 1 278.465 3.406 20 0 CGADMP C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420368705 393476372 /nfs/dbraw/zinc/47/63/72/393476372.db2.gz IELCRNLUUPERDJ-HNAYVOBHSA-N 2 1 280.415 3.176 20 0 CGADMP C[C@H]([NH3+])C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420368705 393476374 /nfs/dbraw/zinc/47/63/74/393476374.db2.gz IELCRNLUUPERDJ-HNAYVOBHSA-N 2 1 280.415 3.176 20 0 CGADMP COc1ccccc1CCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420369325 393476572 /nfs/dbraw/zinc/47/65/72/393476572.db2.gz OIOGSILZBCNTJR-QGZVFWFLSA-N 2 1 290.451 3.125 20 0 CGADMP Clc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420378432 393478324 /nfs/dbraw/zinc/47/83/24/393478324.db2.gz UICABLYNJOSGOW-ZDUSSCGKSA-N 2 1 278.827 3.088 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000420405956 393484426 /nfs/dbraw/zinc/48/44/26/393484426.db2.gz NECWYLJIHODSDX-CQSZACIVSA-N 2 1 272.795 3.375 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420407213 393484579 /nfs/dbraw/zinc/48/45/79/393484579.db2.gz OFSCRJHOIHDYSN-BBRMVZONSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420407213 393484583 /nfs/dbraw/zinc/48/45/83/393484583.db2.gz OFSCRJHOIHDYSN-BBRMVZONSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000420403909 393484676 /nfs/dbraw/zinc/48/46/76/393484676.db2.gz LOFZCJSXNKNHCB-HZMBPMFUSA-N 2 1 252.789 3.118 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413132 393486723 /nfs/dbraw/zinc/48/67/23/393486723.db2.gz ZVHMEDQUSDQQMN-XDNAFOTISA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488427134 393508425 /nfs/dbraw/zinc/50/84/25/393508425.db2.gz FNVNPPBNLAIYNL-BFYDXBDKSA-N 2 1 272.436 3.458 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C(C)C)C2)s1 ZINC000649604657 393511121 /nfs/dbraw/zinc/51/11/21/393511121.db2.gz QJZJNPFMSGEALE-CQSZACIVSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C(C)C)C2)s1 ZINC000649604657 393511125 /nfs/dbraw/zinc/51/11/25/393511125.db2.gz QJZJNPFMSGEALE-CQSZACIVSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C(C)C)C2)s1 ZINC000649604657 393511129 /nfs/dbraw/zinc/51/11/29/393511129.db2.gz QJZJNPFMSGEALE-CQSZACIVSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C(C)C)C2)s1 ZINC000649604657 393511132 /nfs/dbraw/zinc/51/11/32/393511132.db2.gz QJZJNPFMSGEALE-CQSZACIVSA-N 2 1 266.454 3.219 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000488438175 393513526 /nfs/dbraw/zinc/51/35/26/393513526.db2.gz FUTVCJKZSSLMFM-QVOMUQBLSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000488438175 393513529 /nfs/dbraw/zinc/51/35/29/393513529.db2.gz FUTVCJKZSSLMFM-QVOMUQBLSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2C[C@@H]2C)C1 ZINC000488465030 393523460 /nfs/dbraw/zinc/52/34/60/393523460.db2.gz UAYKEWSDRMYYEQ-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2C[C@@H]2C)C1 ZINC000488465030 393523462 /nfs/dbraw/zinc/52/34/62/393523462.db2.gz UAYKEWSDRMYYEQ-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488467074 393525202 /nfs/dbraw/zinc/52/52/02/393525202.db2.gz QOEMZVZBMHGMCB-SMYFESCOSA-N 2 1 286.463 3.389 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000359028758 393533761 /nfs/dbraw/zinc/53/37/61/393533761.db2.gz KBNKXRYRKOPTLY-DQYPLSBCSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000359028758 393533767 /nfs/dbraw/zinc/53/37/67/393533767.db2.gz KBNKXRYRKOPTLY-DQYPLSBCSA-N 2 1 276.399 3.133 20 0 CGADMP c1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CCCC2 ZINC000430250652 393549618 /nfs/dbraw/zinc/54/96/18/393549618.db2.gz VHFMJXOWDADWQR-SFHVURJKSA-N 2 1 298.474 3.483 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCSc1ccc(Cl)cc1 ZINC000430553836 393574280 /nfs/dbraw/zinc/57/42/80/393574280.db2.gz PNAMALHZLOGUEO-CQSZACIVSA-N 2 1 286.872 3.395 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])c1C ZINC000430557639 393574950 /nfs/dbraw/zinc/57/49/50/393574950.db2.gz TZALRELIUVLPDV-UHFFFAOYSA-N 2 1 290.451 3.231 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CC(C)(C)C[NH3+])c1C ZINC000430557639 393574957 /nfs/dbraw/zinc/57/49/57/393574957.db2.gz TZALRELIUVLPDV-UHFFFAOYSA-N 2 1 290.451 3.231 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccc2ccccc2c1 ZINC000430564661 393577184 /nfs/dbraw/zinc/57/71/84/393577184.db2.gz BZCQEQTVNRGLOI-GOSISDBHSA-N 2 1 268.404 3.066 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CCc1ccc2ccccc2c1 ZINC000430564661 393577189 /nfs/dbraw/zinc/57/71/89/393577189.db2.gz BZCQEQTVNRGLOI-GOSISDBHSA-N 2 1 268.404 3.066 20 0 CGADMP CSc1ccc(OCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430563325 393577270 /nfs/dbraw/zinc/57/72/70/393577270.db2.gz VPWXOPCPVMKPMK-MRXNPFEDSA-N 2 1 296.480 3.093 20 0 CGADMP C[N@@H+](CCSCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000430745658 393592185 /nfs/dbraw/zinc/59/21/85/393592185.db2.gz YSVHIDJYROJUKL-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP C[NH+](CCSCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000430745658 393592189 /nfs/dbraw/zinc/59/21/89/393592189.db2.gz YSVHIDJYROJUKL-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP C[NH+](CCSCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000430745658 393592194 /nfs/dbraw/zinc/59/21/94/393592194.db2.gz YSVHIDJYROJUKL-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856504 542820896 /nfs/dbraw/zinc/82/08/96/542820896.db2.gz MGDIWOILQTVFKS-MRXNPFEDSA-N 2 1 276.424 3.097 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360838259 393595500 /nfs/dbraw/zinc/59/55/00/393595500.db2.gz TYZXJGCKQYTBTO-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C2CC2)c1 ZINC000421318771 393602382 /nfs/dbraw/zinc/60/23/82/393602382.db2.gz HYKXMSSHHMNOCO-KRWDZBQOSA-N 2 1 284.447 3.482 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C2CC2)c1 ZINC000421318771 393602390 /nfs/dbraw/zinc/60/23/90/393602390.db2.gz HYKXMSSHHMNOCO-KRWDZBQOSA-N 2 1 284.447 3.482 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000432422828 393612877 /nfs/dbraw/zinc/61/28/77/393612877.db2.gz VINURSRERQSZSH-CIDNJEQPSA-N 2 1 282.472 3.043 20 0 CGADMP c1cc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000360966770 393627253 /nfs/dbraw/zinc/62/72/53/393627253.db2.gz UOIUACONHOSXOI-INIZCTEOSA-N 2 1 278.465 3.098 20 0 CGADMP c1cc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cs1 ZINC000361015924 393643485 /nfs/dbraw/zinc/64/34/85/393643485.db2.gz WTSASJJZRLCUQQ-UHFFFAOYSA-N 2 1 278.465 3.241 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490844126 393657232 /nfs/dbraw/zinc/65/72/32/393657232.db2.gz BZELKIHXERYBFZ-HNNXBMFYSA-N 2 1 297.446 3.496 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423285603 393658862 /nfs/dbraw/zinc/65/88/62/393658862.db2.gz ZKAOLEPOHWJDKZ-QWHCGFSZSA-N 2 1 284.856 3.450 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423279879 393659237 /nfs/dbraw/zinc/65/92/37/393659237.db2.gz RXVADLLAJZCGPB-ZANVPECISA-N 2 1 272.314 3.093 20 0 CGADMP CCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000491026345 393663748 /nfs/dbraw/zinc/66/37/48/393663748.db2.gz GDENFSNQMLGRAC-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1Cl ZINC000423390192 393665205 /nfs/dbraw/zinc/66/52/05/393665205.db2.gz JVKKOPUIKGETFK-BHDSKKPTSA-N 2 1 270.779 3.128 20 0 CGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCCC12CCCCC2 ZINC000423476480 393670269 /nfs/dbraw/zinc/67/02/69/393670269.db2.gz LOCCKZSHBPCEOQ-KGLIPLIRSA-N 2 1 286.410 3.324 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]CCC2CCCCC2)CCCO1 ZINC000433024081 393670903 /nfs/dbraw/zinc/67/09/03/393670903.db2.gz VISRXSKHORRDCB-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497863 393671191 /nfs/dbraw/zinc/67/11/91/393671191.db2.gz HMTIHFGBRJPUMI-CSMYWGQOSA-N 2 1 258.409 3.342 20 0 CGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361143844 393684578 /nfs/dbraw/zinc/68/45/78/393684578.db2.gz VNLWETOAGBQJQC-SUMWQHHRSA-N 2 1 284.407 3.196 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(C)(C)C1 ZINC000433139095 393689017 /nfs/dbraw/zinc/68/90/17/393689017.db2.gz VORSZVGRJOQLAN-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC(C)(C)C2)C1 ZINC000433133280 393689360 /nfs/dbraw/zinc/68/93/60/393689360.db2.gz DPGLOLGWKOXXHI-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H]2CCC[C@H]21 ZINC000361187032 393698565 /nfs/dbraw/zinc/69/85/65/393698565.db2.gz NSQARIBDZRRAPJ-IXDOHACOSA-N 2 1 285.435 3.245 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H]2CCC[C@H]21 ZINC000361187032 393698568 /nfs/dbraw/zinc/69/85/68/393698568.db2.gz NSQARIBDZRRAPJ-IXDOHACOSA-N 2 1 285.435 3.245 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000494888522 393776302 /nfs/dbraw/zinc/77/63/02/393776302.db2.gz IIQRHPYNHWNFBA-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000502279279 393872385 /nfs/dbraw/zinc/87/23/85/393872385.db2.gz GLWVEANSBYQDAS-OAHLLOKOSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000502279279 393872388 /nfs/dbraw/zinc/87/23/88/393872388.db2.gz GLWVEANSBYQDAS-OAHLLOKOSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000502279279 393872391 /nfs/dbraw/zinc/87/23/91/393872391.db2.gz GLWVEANSBYQDAS-OAHLLOKOSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000502279279 393872393 /nfs/dbraw/zinc/87/23/93/393872393.db2.gz GLWVEANSBYQDAS-OAHLLOKOSA-N 2 1 290.451 3.031 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000502592338 393881281 /nfs/dbraw/zinc/88/12/81/393881281.db2.gz FEZFKSSYBBPIBJ-YIYPIFLZSA-N 2 1 274.399 3.130 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccc2cn1 ZINC000666969006 542830785 /nfs/dbraw/zinc/83/07/85/542830785.db2.gz UKRFSHJPKXBVGP-RTBURBONSA-N 2 1 295.430 3.199 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccncn1 ZINC000453129058 394181849 /nfs/dbraw/zinc/18/18/49/394181849.db2.gz NIVGPMOEVZXPIQ-ZOBUZTSGSA-N 2 1 290.455 3.028 20 0 CGADMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453077801 394163464 /nfs/dbraw/zinc/16/34/64/394163464.db2.gz IJWZKJKJBGYDIF-ZACQAIPSSA-N 2 1 258.409 3.039 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453104356 394173021 /nfs/dbraw/zinc/17/30/21/394173021.db2.gz ZIGPCIOBZQGOLW-PBHICJAKSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000453602502 394255657 /nfs/dbraw/zinc/25/56/57/394255657.db2.gz WDUOFZDSNHIGBO-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccsc1Cl)C1CC1 ZINC000453590081 394251334 /nfs/dbraw/zinc/25/13/34/394251334.db2.gz AHLFDZNVMQSHIK-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000453595596 394253358 /nfs/dbraw/zinc/25/33/58/394253358.db2.gz KBQBVCACTKWQKN-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP c1nc2n(c1C[N@H+]1CCC[C@]3(CC=CCC3)C1)CCC2 ZINC000667642325 542902100 /nfs/dbraw/zinc/90/21/00/542902100.db2.gz XGBJLWPROUBYBC-QGZVFWFLSA-N 2 1 271.408 3.152 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cnc(C)n1C)[C@H]2C ZINC000667963039 542950363 /nfs/dbraw/zinc/95/03/63/542950363.db2.gz AERFQOJNNBAKJS-OLZOCXBDSA-N 2 1 299.418 3.245 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)N(Cc1cnc(C)n1C)[C@H]2C ZINC000667963039 542950365 /nfs/dbraw/zinc/95/03/65/542950365.db2.gz AERFQOJNNBAKJS-OLZOCXBDSA-N 2 1 299.418 3.245 20 0 CGADMP CC(C)[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668030418 542960351 /nfs/dbraw/zinc/96/03/51/542960351.db2.gz RNFICQHTHDNUSH-HNNXBMFYSA-N 2 1 284.407 3.135 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668030418 542960353 /nfs/dbraw/zinc/96/03/53/542960353.db2.gz RNFICQHTHDNUSH-HNNXBMFYSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000668668462 543041043 /nfs/dbraw/zinc/04/10/43/543041043.db2.gz YCNKYWCKFODKRW-GPFWEFOESA-N 2 1 284.447 3.285 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000551145814 289100225 /nfs/dbraw/zinc/10/02/25/289100225.db2.gz XBWFIDAHWFVLDY-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670264866 543147370 /nfs/dbraw/zinc/14/73/70/543147370.db2.gz KTWKGJQKIPNZKJ-GJZGRUSLSA-N 2 1 254.462 3.332 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000671739982 543183692 /nfs/dbraw/zinc/18/36/92/543183692.db2.gz TXXKFKRHVGETGP-CEXWTWQISA-N 2 1 286.463 3.472 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000671746908 543185020 /nfs/dbraw/zinc/18/50/20/543185020.db2.gz VKDMHEKPFGDOSE-FGTMMUONSA-N 2 1 290.426 3.221 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916122 397609428 /nfs/dbraw/zinc/60/94/28/397609428.db2.gz VEYINDIBUCEWJN-RDJZCZTQSA-N 2 1 284.403 3.397 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000040240925 397611277 /nfs/dbraw/zinc/61/12/77/397611277.db2.gz CYBVPJCNUUNSSJ-NJAFHUGGSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000394842806 397696541 /nfs/dbraw/zinc/69/65/41/397696541.db2.gz ZZGVHLPXXXPTEA-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)CCOC)C1CCCCC1 ZINC000650131420 397789597 /nfs/dbraw/zinc/78/95/97/397789597.db2.gz MQEFBQGXVCJEGQ-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CCSc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650709865 397898225 /nfs/dbraw/zinc/89/82/25/397898225.db2.gz UTDLRYGLZSDTKU-RDJZCZTQSA-N 2 1 290.476 3.359 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)o1 ZINC000650753516 397909406 /nfs/dbraw/zinc/90/94/06/397909406.db2.gz PBEOJMWYTVIBGO-LLVKDONJSA-N 2 1 276.355 3.291 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675788367 543364935 /nfs/dbraw/zinc/36/49/35/543364935.db2.gz RVBPYLXHFWMYTP-GJZGRUSLSA-N 2 1 290.451 3.045 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(C)s1 ZINC000676491643 543399496 /nfs/dbraw/zinc/39/94/96/543399496.db2.gz IAYAHIKPDHBYFG-LLVKDONJSA-N 2 1 292.452 3.396 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677241218 543441655 /nfs/dbraw/zinc/44/16/55/543441655.db2.gz NQCIDWMUFCHNSV-NXHRZFHOSA-N 2 1 272.436 3.315 20 0 CGADMP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2C)C2CC2)o1 ZINC000677817764 543467485 /nfs/dbraw/zinc/46/74/85/543467485.db2.gz BGYFWAFGBREPJI-UHFFFAOYSA-N 2 1 273.380 3.148 20 0 CGADMP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)C2CC2)o1 ZINC000677817764 543467487 /nfs/dbraw/zinc/46/74/87/543467487.db2.gz BGYFWAFGBREPJI-UHFFFAOYSA-N 2 1 273.380 3.148 20 0 CGADMP C[N@@H+](Cc1nccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000678154047 543489175 /nfs/dbraw/zinc/48/91/75/543489175.db2.gz XRQGWPMGMOMJMH-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[N@H+](Cc1nccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000678154047 543489176 /nfs/dbraw/zinc/48/91/76/543489176.db2.gz XRQGWPMGMOMJMH-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1nccc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000678154047 543489178 /nfs/dbraw/zinc/48/91/78/543489178.db2.gz XRQGWPMGMOMJMH-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1nccc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000678154047 543489179 /nfs/dbraw/zinc/48/91/79/543489179.db2.gz XRQGWPMGMOMJMH-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000678239421 543499564 /nfs/dbraw/zinc/49/95/64/543499564.db2.gz CDYOQGDWPRZXGT-GOSISDBHSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC000678278175 543509373 /nfs/dbraw/zinc/50/93/73/543509373.db2.gz NUEDWFLJNDVZBK-PBHICJAKSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000678278175 543509375 /nfs/dbraw/zinc/50/93/75/543509375.db2.gz NUEDWFLJNDVZBK-PBHICJAKSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2C2CC2)CC[NH+]1C ZINC000678278175 543509377 /nfs/dbraw/zinc/50/93/77/543509377.db2.gz NUEDWFLJNDVZBK-PBHICJAKSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)CC[NH+]1C ZINC000678278175 543509378 /nfs/dbraw/zinc/50/93/78/543509378.db2.gz NUEDWFLJNDVZBK-PBHICJAKSA-N 2 1 272.436 3.479 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000678591918 543539141 /nfs/dbraw/zinc/53/91/41/543539141.db2.gz TZNPKSVHPLXSPC-FCEWJHQRSA-N 2 1 286.463 3.111 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC000423231178 292205038 /nfs/dbraw/zinc/20/50/38/292205038.db2.gz FYALCOJIBGDOOD-IRXDYDNUSA-N 2 1 258.409 3.178 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC000423231179 292205633 /nfs/dbraw/zinc/20/56/33/292205633.db2.gz FYALCOJIBGDOOD-SJORKVTESA-N 2 1 258.409 3.178 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC[N@H+]1C ZINC000679011265 543582518 /nfs/dbraw/zinc/58/25/18/543582518.db2.gz BVVKFGAGKOENBK-GDBMZVCRSA-N 2 1 290.451 3.436 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423391365 297108226 /nfs/dbraw/zinc/10/82/26/297108226.db2.gz KYAPMYFDJVUFMO-RSLMWUCJSA-N 2 1 282.478 3.261 20 0 CGADMP COCC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000449085597 292264602 /nfs/dbraw/zinc/26/46/02/292264602.db2.gz OOVTUAUIJJQAKJ-AQEOSJORSA-N 2 1 296.499 3.292 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCCC1 ZINC000368617414 292307883 /nfs/dbraw/zinc/30/78/83/292307883.db2.gz HFXOLXAUQGVAFW-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446314 287033837 /nfs/dbraw/zinc/03/38/37/287033837.db2.gz GPUDOUGIACIZBB-GOSISDBHSA-N 2 1 298.405 3.437 20 0 CGADMP COC(C)(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080205558 287063992 /nfs/dbraw/zinc/06/39/92/287063992.db2.gz JCXHNFBZFPOZHS-UHFFFAOYSA-N 2 1 292.467 3.159 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000080459217 287065859 /nfs/dbraw/zinc/06/58/59/287065859.db2.gz JBFSWRGNGXNEPJ-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000080459212 287065791 /nfs/dbraw/zinc/06/57/91/287065791.db2.gz JBFSWRGNGXNEPJ-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCSc2ccccc2)[C@H](C)C1 ZINC000081096514 287070877 /nfs/dbraw/zinc/07/08/77/287070877.db2.gz BRZSNNJLIWXZKD-WBVHZDCISA-N 2 1 292.492 3.441 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSc2ccccc2)[C@H](C)C1 ZINC000081096514 287070879 /nfs/dbraw/zinc/07/08/79/287070879.db2.gz BRZSNNJLIWXZKD-WBVHZDCISA-N 2 1 292.492 3.441 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSc2ccccc2)[C@H](C)C1 ZINC000081096514 287070881 /nfs/dbraw/zinc/07/08/81/287070881.db2.gz BRZSNNJLIWXZKD-WBVHZDCISA-N 2 1 292.492 3.441 20 0 CGADMP C[C@H](CC[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000070148662 165057857 /nfs/dbraw/zinc/05/78/57/165057857.db2.gz RXRLIYTVQZFIMY-NVXWUHKLSA-N 2 1 260.425 3.384 20 0 CGADMP CC(C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000070280638 165058228 /nfs/dbraw/zinc/05/82/28/165058228.db2.gz SIZOWXQJWZXVOO-OCCSQVGLSA-N 2 1 252.427 3.129 20 0 CGADMP CC(C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000070280638 165058232 /nfs/dbraw/zinc/05/82/32/165058232.db2.gz SIZOWXQJWZXVOO-OCCSQVGLSA-N 2 1 252.427 3.129 20 0 CGADMP Cc1c[nH+]ccc1NCCC[N@H+](C)Cc1ccccc1 ZINC000070489450 165062461 /nfs/dbraw/zinc/06/24/61/165062461.db2.gz LSNFURUSJNZBFG-UHFFFAOYSA-N 2 1 269.392 3.324 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCOc2ccc(F)cc2)CC1 ZINC000077249532 165122177 /nfs/dbraw/zinc/12/21/77/165122177.db2.gz RUXFDQACVZQHLS-UHFFFAOYSA-N 2 1 294.414 3.011 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCOc2ccc(F)cc2)CC1 ZINC000077249532 165122179 /nfs/dbraw/zinc/12/21/79/165122179.db2.gz RUXFDQACVZQHLS-UHFFFAOYSA-N 2 1 294.414 3.011 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000080426623 165154194 /nfs/dbraw/zinc/15/41/94/165154194.db2.gz RZIGVCJDIYRSEV-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccccc23)CC[N@H+]1C ZINC000090795310 165243257 /nfs/dbraw/zinc/24/32/57/165243257.db2.gz RJRILGRNQPLCEA-CHWSQXEVSA-N 2 1 255.365 3.129 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338828 165349957 /nfs/dbraw/zinc/34/99/57/165349957.db2.gz XWVVYBSZOXZJKJ-BYCMXARLSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000094827495 165392008 /nfs/dbraw/zinc/39/20/08/165392008.db2.gz XFMYPJRKLLXIBI-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000093683590 287118595 /nfs/dbraw/zinc/11/85/95/287118595.db2.gz LZUXGLMTPBBCGS-KRWDZBQOSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000093683590 287118597 /nfs/dbraw/zinc/11/85/97/287118597.db2.gz LZUXGLMTPBBCGS-KRWDZBQOSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000120584992 287184222 /nfs/dbraw/zinc/18/42/22/287184222.db2.gz BUFWUOSDBGYDOE-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000122356935 287209007 /nfs/dbraw/zinc/20/90/07/287209007.db2.gz BVICGQPSJPJQDX-KLHDSHLOSA-N 2 1 252.446 3.275 20 0 CGADMP C(CC1CCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000125066611 287239604 /nfs/dbraw/zinc/23/96/04/287239604.db2.gz LBGRPXGKQOJXNM-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP FC(F)Oc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000020128696 171016721 /nfs/dbraw/zinc/01/67/21/171016721.db2.gz GTMYYGSOAWMVQB-UHFFFAOYSA-N 2 1 298.377 3.254 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)o1 ZINC000020438912 171203100 /nfs/dbraw/zinc/20/31/00/171203100.db2.gz MGEADDZYKCTGRC-AWEZNQCLSA-N 2 1 264.413 3.423 20 0 CGADMP [NH3+]C1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000020521621 171234889 /nfs/dbraw/zinc/23/48/89/171234889.db2.gz OOVINWAANJDBDI-UHFFFAOYSA-N 2 1 290.354 3.222 20 0 CGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[NH2+]CC1 ZINC000022107994 171352880 /nfs/dbraw/zinc/35/28/80/171352880.db2.gz NEYKGHNWARYWLT-AWEZNQCLSA-N 2 1 254.377 3.196 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000126571862 287268156 /nfs/dbraw/zinc/26/81/56/287268156.db2.gz AAPMOPMTBHMLPC-CYBMUJFWSA-N 2 1 280.481 3.477 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000037318613 173118889 /nfs/dbraw/zinc/11/88/89/173118889.db2.gz KESBCSGCZKETHE-CQSZACIVSA-N 2 1 258.409 3.272 20 0 CGADMP CCC[N@@H+](CCOc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000037539174 173260482 /nfs/dbraw/zinc/26/04/82/173260482.db2.gz MDXWQNMBWRVDAV-UHFFFAOYSA-N 2 1 296.842 3.183 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000127081268 287280095 /nfs/dbraw/zinc/28/00/95/287280095.db2.gz YPDNEQMQKMGOML-BZOOQXSSSA-N 2 1 278.415 3.392 20 0 CGADMP COc1cccc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000127323020 287285868 /nfs/dbraw/zinc/28/58/68/287285868.db2.gz GZHZTKJAASTUSB-CQSZACIVSA-N 2 1 287.407 3.283 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000127323020 287285871 /nfs/dbraw/zinc/28/58/71/287285871.db2.gz GZHZTKJAASTUSB-CQSZACIVSA-N 2 1 287.407 3.283 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000038041848 174044426 /nfs/dbraw/zinc/04/44/26/174044426.db2.gz SCSQRYPCGCGMKI-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCCCCCC2)C1 ZINC000040620903 174355266 /nfs/dbraw/zinc/35/52/66/174355266.db2.gz YWYSKNHQABYOPU-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404309921 416552329 /nfs/dbraw/zinc/55/23/29/416552329.db2.gz JXPHUUVEHFUOEQ-RHSMWYFYSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404422806 416555030 /nfs/dbraw/zinc/55/50/30/416555030.db2.gz JPGMTKLBZKQTQM-WCQYABFASA-N 2 1 252.427 3.006 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@@H]1[NH3+] ZINC000122278808 416503109 /nfs/dbraw/zinc/50/31/09/416503109.db2.gz DNFFFDHTWQVQQH-WFASDCNBSA-N 2 1 274.433 3.461 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2cc(C)cc(C)c2)CC[C@@H]1[NH3+] ZINC000122746273 416505406 /nfs/dbraw/zinc/50/54/06/416505406.db2.gz AENITTUPISQXLI-WMZOPIPTSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000129880405 287340350 /nfs/dbraw/zinc/34/03/50/287340350.db2.gz SNWPNBLYTPJHAW-XYPHTWIQSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)CC[N@H+]1C ZINC000129880405 287340351 /nfs/dbraw/zinc/34/03/51/287340351.db2.gz SNWPNBLYTPJHAW-XYPHTWIQSA-N 2 1 258.409 3.210 20 0 CGADMP C1=CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000679394976 543634555 /nfs/dbraw/zinc/63/45/55/543634555.db2.gz UPWMIBVJPIOFNV-REPLKXPHSA-N 2 1 282.431 3.490 20 0 CGADMP C[C@H](Cc1ccccc1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680368905 543705192 /nfs/dbraw/zinc/70/51/92/543705192.db2.gz QWUBKVVFXUOPTH-MJGOQNOKSA-N 2 1 286.463 3.425 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000681366341 543783806 /nfs/dbraw/zinc/78/38/06/543783806.db2.gz PAUSNUIPRHKEQF-YESZJQIVSA-N 2 1 264.457 3.299 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000131541737 287383171 /nfs/dbraw/zinc/38/31/71/287383171.db2.gz WVSVKUSZQPGDBT-VXGBXAGGSA-N 2 1 266.454 3.357 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000131541737 287383173 /nfs/dbraw/zinc/38/31/73/287383173.db2.gz WVSVKUSZQPGDBT-VXGBXAGGSA-N 2 1 266.454 3.357 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000131572303 287383904 /nfs/dbraw/zinc/38/39/04/287383904.db2.gz GAOKENWZEMTKHB-BFYDXBDKSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC000683358866 543910774 /nfs/dbraw/zinc/91/07/74/543910774.db2.gz NBWPMVNMPGBVOL-KRWDZBQOSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCCc2sccc2C1 ZINC000683140948 543898873 /nfs/dbraw/zinc/89/88/73/543898873.db2.gz LTWFUVXKCVYZQJ-UHFFFAOYSA-N 2 1 266.454 3.228 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCc2sccc2C1 ZINC000683140948 543898874 /nfs/dbraw/zinc/89/88/74/543898874.db2.gz LTWFUVXKCVYZQJ-UHFFFAOYSA-N 2 1 266.454 3.228 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(C(C)C)s1 ZINC000132075992 287396315 /nfs/dbraw/zinc/39/63/15/287396315.db2.gz NZECRAQWWLBJHF-GFCCVEGCSA-N 2 1 292.452 3.197 20 0 CGADMP C[N@@H+](Cc1cccc2cnccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443787 544071062 /nfs/dbraw/zinc/07/10/62/544071062.db2.gz AZYIYMFMNIJAFY-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2cnccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443787 544071063 /nfs/dbraw/zinc/07/10/63/544071063.db2.gz AZYIYMFMNIJAFY-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2cnccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443787 544071065 /nfs/dbraw/zinc/07/10/65/544071065.db2.gz AZYIYMFMNIJAFY-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685470685 544076633 /nfs/dbraw/zinc/07/66/33/544076633.db2.gz IAGQAKJQWMLTSR-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000685470685 544076636 /nfs/dbraw/zinc/07/66/36/544076636.db2.gz IAGQAKJQWMLTSR-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470685 544076638 /nfs/dbraw/zinc/07/66/38/544076638.db2.gz IAGQAKJQWMLTSR-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000685849520 544102031 /nfs/dbraw/zinc/10/20/31/544102031.db2.gz UWVKEERVMWVQRZ-CVEARBPZSA-N 2 1 262.441 3.184 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000685849520 544102034 /nfs/dbraw/zinc/10/20/34/544102034.db2.gz UWVKEERVMWVQRZ-CVEARBPZSA-N 2 1 262.441 3.184 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]c2c(O)cccc12 ZINC000685906680 544106880 /nfs/dbraw/zinc/10/68/80/544106880.db2.gz UZFCPAIINIYUFF-LBPRGKRZSA-N 2 1 273.380 3.083 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000367185538 227187919 /nfs/dbraw/zinc/18/79/19/227187919.db2.gz JEWZDAGKCFOVFK-SCTFDZSOSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000367185538 227187924 /nfs/dbraw/zinc/18/79/24/227187924.db2.gz JEWZDAGKCFOVFK-SCTFDZSOSA-N 2 1 294.389 3.283 20 0 CGADMP CC[C@@H]([NH2+]CCO[C@H](CC)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000650742005 418936114 /nfs/dbraw/zinc/93/61/14/418936114.db2.gz PLWZLFSICYYDNW-FGTMMUONSA-N 2 1 290.451 3.275 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccncc1 ZINC000652222573 418938625 /nfs/dbraw/zinc/93/86/25/418938625.db2.gz RTGYDFMOCDFLKC-INIZCTEOSA-N 2 1 263.429 3.100 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccncc1 ZINC000652222573 418938626 /nfs/dbraw/zinc/93/86/26/418938626.db2.gz RTGYDFMOCDFLKC-INIZCTEOSA-N 2 1 263.429 3.100 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000652222764 418939004 /nfs/dbraw/zinc/93/90/04/418939004.db2.gz XCHFYSCNVNXWEA-INIZCTEOSA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000652348367 418955550 /nfs/dbraw/zinc/95/55/50/418955550.db2.gz BEYBERDPSJEBLJ-KURKYZTESA-N 2 1 294.483 3.175 20 0 CGADMP c1ccc(CCC[C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000652343656 418956036 /nfs/dbraw/zinc/95/60/36/418956036.db2.gz CAPNYGAFPXGXIC-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652364338 418958424 /nfs/dbraw/zinc/95/84/24/418958424.db2.gz IMEDMYHYHXZZKP-GJZGRUSLSA-N 2 1 290.426 3.177 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000659974672 419050167 /nfs/dbraw/zinc/05/01/67/419050167.db2.gz OVTAIOAEIPQSLW-DZGCQCFKSA-N 2 1 288.426 3.332 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000659974672 419050172 /nfs/dbraw/zinc/05/01/72/419050172.db2.gz OVTAIOAEIPQSLW-DZGCQCFKSA-N 2 1 288.426 3.332 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974672 419050177 /nfs/dbraw/zinc/05/01/77/419050177.db2.gz OVTAIOAEIPQSLW-DZGCQCFKSA-N 2 1 288.426 3.332 20 0 CGADMP C[C@@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(C)(C)C ZINC000655757714 419089793 /nfs/dbraw/zinc/08/97/93/419089793.db2.gz JRWDWRKDSGQFMW-RDJZCZTQSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)cc1 ZINC000665250534 419092093 /nfs/dbraw/zinc/09/20/93/419092093.db2.gz UZLHGLQJQKRPAI-NSHDSACASA-N 2 1 252.789 3.262 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC1 ZINC000655773025 419093241 /nfs/dbraw/zinc/09/32/41/419093241.db2.gz VZYGLRJPLRVNHD-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665256536 419093575 /nfs/dbraw/zinc/09/35/75/419093575.db2.gz DKGPVOOBDXGHBQ-WRFANHODSA-N 2 1 278.415 3.295 20 0 CGADMP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc21 ZINC000665266813 419097280 /nfs/dbraw/zinc/09/72/80/419097280.db2.gz KGFGBBBXFZXIEV-NIKGAXFTSA-N 2 1 299.462 3.128 20 0 CGADMP c1ccc(C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665277793 419099861 /nfs/dbraw/zinc/09/98/61/419099861.db2.gz LSZXAPUATNZRNN-SYYJFZTOSA-N 2 1 292.426 3.312 20 0 CGADMP CCc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C(C)C)cc1 ZINC000665279145 419100954 /nfs/dbraw/zinc/10/09/54/419100954.db2.gz XVZKHHJHJBLNJF-NXYGQSRBSA-N 2 1 272.436 3.288 20 0 CGADMP Cc1cccc2c1CCC[C@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665283734 419104686 /nfs/dbraw/zinc/10/46/86/419104686.db2.gz UBGIPOQRSIYYNS-IAOVAPTHSA-N 2 1 258.409 3.103 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000665298659 419110516 /nfs/dbraw/zinc/11/05/16/419110516.db2.gz ZLWQQWSGNIICRX-UONOGXRCSA-N 2 1 287.451 3.422 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257992 419115207 /nfs/dbraw/zinc/11/52/07/419115207.db2.gz YKODKROVENADNQ-VIQHNZTISA-N 2 1 276.468 3.275 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000660115936 419079956 /nfs/dbraw/zinc/07/99/56/419079956.db2.gz DKKACDCRRVSWNS-ZDUSSCGKSA-N 2 1 273.371 3.195 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000660115936 419079961 /nfs/dbraw/zinc/07/99/61/419079961.db2.gz DKKACDCRRVSWNS-ZDUSSCGKSA-N 2 1 273.371 3.195 20 0 CGADMP C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000655948709 419129356 /nfs/dbraw/zinc/12/93/56/419129356.db2.gz AGFLKZUVHCSBFO-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CC1 ZINC000655940501 419129624 /nfs/dbraw/zinc/12/96/24/419129624.db2.gz CSZXIKSAUXCPFJ-CABCVRRESA-N 2 1 264.457 3.134 20 0 CGADMP Cn1cncc1CC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000656399149 419168495 /nfs/dbraw/zinc/16/84/95/419168495.db2.gz IIRCWSCRDRHNKY-UHFFFAOYSA-N 2 1 298.217 3.401 20 0 CGADMP CN(CCc1cncn1C)Cc1ccc(Cl)cc1Cl ZINC000656399149 419168499 /nfs/dbraw/zinc/16/84/99/419168499.db2.gz IIRCWSCRDRHNKY-UHFFFAOYSA-N 2 1 298.217 3.401 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660659093 419177783 /nfs/dbraw/zinc/17/77/83/419177783.db2.gz MTZKQBOEHPYNOZ-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659093 419177786 /nfs/dbraw/zinc/17/77/86/419177786.db2.gz MTZKQBOEHPYNOZ-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659093 419177787 /nfs/dbraw/zinc/17/77/87/419177787.db2.gz MTZKQBOEHPYNOZ-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660658544 419178087 /nfs/dbraw/zinc/17/80/87/419178087.db2.gz GSDPOLMMFNZXME-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660658544 419178089 /nfs/dbraw/zinc/17/80/89/419178089.db2.gz GSDPOLMMFNZXME-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660658544 419178091 /nfs/dbraw/zinc/17/80/91/419178091.db2.gz GSDPOLMMFNZXME-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CO1 ZINC000657396571 419269272 /nfs/dbraw/zinc/26/92/72/419269272.db2.gz MTZHWZHAIZMUQE-MZMPZRCHSA-N 2 1 299.418 3.399 20 0 CGADMP COc1ccc(C[N@H+](C)CC(C)(C)[NH3+])c2ccccc12 ZINC000656781954 419218564 /nfs/dbraw/zinc/21/85/64/419218564.db2.gz ARUGDSPNTOTHIM-UHFFFAOYSA-N 2 1 272.392 3.018 20 0 CGADMP COc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])c2ccccc12 ZINC000656781954 419218566 /nfs/dbraw/zinc/21/85/66/419218566.db2.gz ARUGDSPNTOTHIM-UHFFFAOYSA-N 2 1 272.392 3.018 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccn1 ZINC000656782348 419218785 /nfs/dbraw/zinc/21/87/85/419218785.db2.gz FGZYJQNBUWDVCY-SUMDDJOVSA-N 2 1 295.430 3.268 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786923 419219658 /nfs/dbraw/zinc/21/96/58/419219658.db2.gz XRVYCOZWLFXMAI-HNNXBMFYSA-N 2 1 278.465 3.268 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000656790851 419220851 /nfs/dbraw/zinc/22/08/51/419220851.db2.gz BPEKKDGHCWYQDN-HUUCEWRRSA-N 2 1 278.415 3.426 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+](Cc2ccccc2F)CC2CC2)CC[NH2+]1 ZINC000656792609 419221998 /nfs/dbraw/zinc/22/19/98/419221998.db2.gz TZTXQIHCGQURBK-HOCLYGCPSA-N 2 1 290.426 3.426 20 0 CGADMP Cc1ccc2cc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)[nH]c2c1 ZINC000657492209 419292673 /nfs/dbraw/zinc/29/26/73/419292673.db2.gz UQQNHLBFCJQGLP-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC/C=C/c1ccccc1 ZINC000657525577 419297688 /nfs/dbraw/zinc/29/76/88/419297688.db2.gz STCPQCFWQDRQON-OJXHRBAXSA-N 2 1 258.409 3.162 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC/C=C/c1ccccc1 ZINC000657525577 419297689 /nfs/dbraw/zinc/29/76/89/419297689.db2.gz STCPQCFWQDRQON-OJXHRBAXSA-N 2 1 258.409 3.162 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2F)[C@@H]1CCC[NH3+] ZINC000662312957 419389649 /nfs/dbraw/zinc/38/96/49/419389649.db2.gz CBZMWKNNUZYMRN-GDBMZVCRSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662314942 419390142 /nfs/dbraw/zinc/39/01/42/419390142.db2.gz PZUBOXBLSLJEMU-SJLPKXTDSA-N 2 1 274.452 3.459 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@]1(c2ccccc2)CC1(C)C ZINC000662340833 419394198 /nfs/dbraw/zinc/39/41/98/419394198.db2.gz NLKJCZUWNOWGDV-GOSISDBHSA-N 2 1 283.419 3.268 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657871662 419395547 /nfs/dbraw/zinc/39/55/47/419395547.db2.gz WHHHDOIXGACKQT-OLZOCXBDSA-N 2 1 298.390 3.320 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(c2ccccc2)CC1(C)C ZINC000662342888 419398650 /nfs/dbraw/zinc/39/86/50/419398650.db2.gz LBJVWLTWCUIZAF-SFHVURJKSA-N 2 1 283.419 3.497 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cc2cnccc2o1 ZINC000657894080 419418428 /nfs/dbraw/zinc/41/84/28/419418428.db2.gz VJDLWASJUKIGSE-WWTUQBGBSA-N 2 1 299.418 3.494 20 0 CGADMP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000662238329 419370009 /nfs/dbraw/zinc/37/00/09/419370009.db2.gz OQVQPYLJOVNYLK-NVXWUHKLSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C)C(C)C ZINC000662255656 419371585 /nfs/dbraw/zinc/37/15/85/419371585.db2.gz ZVSAGDCXILMGTI-AWEZNQCLSA-N 2 1 260.425 3.199 20 0 CGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000662249483 419373068 /nfs/dbraw/zinc/37/30/68/419373068.db2.gz VGXTZXCYYILLIP-HXUWFJFHSA-N 2 1 292.426 3.452 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662264764 419376823 /nfs/dbraw/zinc/37/68/23/419376823.db2.gz LBFPLNANMJIGQD-RDBSUJKOSA-N 2 1 274.399 3.132 20 0 CGADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCC1 ZINC000657837438 419380844 /nfs/dbraw/zinc/38/08/44/419380844.db2.gz FXNNUTNFCGZHJP-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662275214 419381866 /nfs/dbraw/zinc/38/18/66/419381866.db2.gz VZCWRRPGJKTCPM-CEXWTWQISA-N 2 1 298.474 3.428 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c2c(c1)C[NH2+]CC2 ZINC000662277194 419382796 /nfs/dbraw/zinc/38/27/96/419382796.db2.gz PMIAGIHHCASPFH-LJQANCHMSA-N 2 1 293.414 3.064 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccc(C(F)F)nc1)C[NH+]1CCCC1 ZINC000657842544 419384238 /nfs/dbraw/zinc/38/42/38/419384238.db2.gz CNOUMRTUHCKSGX-CHWSQXEVSA-N 2 1 297.393 3.402 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(C(F)F)nc1 ZINC000657842553 419384386 /nfs/dbraw/zinc/38/43/86/419384386.db2.gz CNOUMRTUHCKSGX-QWHCGFSZSA-N 2 1 297.393 3.402 20 0 CGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662294384 419385151 /nfs/dbraw/zinc/38/51/51/419385151.db2.gz COOZGSUKINLYLX-SJORKVTESA-N 2 1 272.436 3.440 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658011381 419491967 /nfs/dbraw/zinc/49/19/67/419491967.db2.gz CPRZWAKEQHUZKC-RYUDHWBXSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658011381 419491973 /nfs/dbraw/zinc/49/19/73/419491973.db2.gz CPRZWAKEQHUZKC-RYUDHWBXSA-N 2 1 262.388 3.130 20 0 CGADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347176 419565810 /nfs/dbraw/zinc/56/58/10/419565810.db2.gz ZYSZFKRUOSFENH-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347176 419565821 /nfs/dbraw/zinc/56/58/21/419565821.db2.gz ZYSZFKRUOSFENH-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000663477571 419632819 /nfs/dbraw/zinc/63/28/19/419632819.db2.gz GTVOKLNQCQUHIG-AGIUHOORSA-N 2 1 292.389 3.427 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)CC[N@H+]1C ZINC000663477994 419633688 /nfs/dbraw/zinc/63/36/88/419633688.db2.gz IZZWCHLGQMQVNV-MNOVXSKESA-N 2 1 266.351 3.037 20 0 CGADMP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466027 419615106 /nfs/dbraw/zinc/61/51/06/419615106.db2.gz NENVFPJLNBFYGQ-NVXWUHKLSA-N 2 1 288.435 3.369 20 0 CGADMP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466027 419615110 /nfs/dbraw/zinc/61/51/10/419615110.db2.gz NENVFPJLNBFYGQ-NVXWUHKLSA-N 2 1 288.435 3.369 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469572 419623747 /nfs/dbraw/zinc/62/37/47/419623747.db2.gz QOICZZYTVUWZRB-LZWOXQAQSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1F ZINC000658165022 419630671 /nfs/dbraw/zinc/63/06/71/419630671.db2.gz BZANYJFNHXTIPJ-INIZCTEOSA-N 2 1 264.388 3.207 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228744 419684021 /nfs/dbraw/zinc/68/40/21/419684021.db2.gz LTLSJROIIULTNT-HOCLYGCPSA-N 2 1 276.424 3.207 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228744 419684032 /nfs/dbraw/zinc/68/40/32/419684032.db2.gz LTLSJROIIULTNT-HOCLYGCPSA-N 2 1 276.424 3.207 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229686 419690624 /nfs/dbraw/zinc/69/06/24/419690624.db2.gz SZHUVQLHLJVJCT-XYJFISCASA-N 2 1 294.483 3.188 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229686 419690631 /nfs/dbraw/zinc/69/06/31/419690631.db2.gz SZHUVQLHLJVJCT-XYJFISCASA-N 2 1 294.483 3.188 20 0 CGADMP CCCCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000019988665 262183949 /nfs/dbraw/zinc/18/39/49/262183949.db2.gz PENRPIJZWGZOBN-KRWDZBQOSA-N 2 1 290.451 3.439 20 0 CGADMP CCCCOc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000019988665 262183950 /nfs/dbraw/zinc/18/39/50/262183950.db2.gz PENRPIJZWGZOBN-KRWDZBQOSA-N 2 1 290.451 3.439 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000221827541 262301276 /nfs/dbraw/zinc/30/12/76/262301276.db2.gz VJAJRBYWZUAOSP-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221829966 262301341 /nfs/dbraw/zinc/30/13/41/262301341.db2.gz HABHHZHMNUYQQK-RRFJBIMHSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221829966 262301342 /nfs/dbraw/zinc/30/13/42/262301342.db2.gz HABHHZHMNUYQQK-RRFJBIMHSA-N 2 1 276.424 3.137 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000521423764 262326184 /nfs/dbraw/zinc/32/61/84/262326184.db2.gz OFOORKIBXSBOCA-CYBMUJFWSA-N 2 1 290.407 3.400 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000044534097 270036214 /nfs/dbraw/zinc/03/62/14/270036214.db2.gz GRKNFSAQTWKHHY-KBPBESRZSA-N 2 1 272.392 3.425 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000044534097 270036216 /nfs/dbraw/zinc/03/62/16/270036216.db2.gz GRKNFSAQTWKHHY-KBPBESRZSA-N 2 1 272.392 3.425 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000105480858 270047525 /nfs/dbraw/zinc/04/75/25/270047525.db2.gz KUIBXQLLSNGQBK-PBHICJAKSA-N 2 1 274.452 3.414 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187383457 270068551 /nfs/dbraw/zinc/06/85/51/270068551.db2.gz LPKROYAPNMJXAY-JKSUJKDBSA-N 2 1 298.540 3.476 20 0 CGADMP CCC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000217647987 270085296 /nfs/dbraw/zinc/08/52/96/270085296.db2.gz FKAPZDCEPFCHJE-CKUJCDMFSA-N 2 1 250.430 3.172 20 0 CGADMP CCC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000217647987 270085297 /nfs/dbraw/zinc/08/52/97/270085297.db2.gz FKAPZDCEPFCHJE-CKUJCDMFSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000229574242 270088454 /nfs/dbraw/zinc/08/84/54/270088454.db2.gz ZIDDJGGWISOWQV-CABCVRRESA-N 2 1 278.415 3.077 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCC2CCCCCC2)CCCO1 ZINC000520459762 265828181 /nfs/dbraw/zinc/82/81/81/265828181.db2.gz HSWLTVYMHFVVMJ-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP CC(C)n1nccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000525977430 270121394 /nfs/dbraw/zinc/12/13/94/270121394.db2.gz YGMLCOBCRKTDOT-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)[C@H]1c1cccs1 ZINC000525996478 270122067 /nfs/dbraw/zinc/12/20/67/270122067.db2.gz LXZBFTGHAPQDCS-JSGCOSHPSA-N 2 1 282.428 3.223 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)[C@H]1c1cccs1 ZINC000525996478 270122068 /nfs/dbraw/zinc/12/20/68/270122068.db2.gz LXZBFTGHAPQDCS-JSGCOSHPSA-N 2 1 282.428 3.223 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527637693 270130318 /nfs/dbraw/zinc/13/03/18/270130318.db2.gz KXAQZZFPYZAKOL-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527730155 270132927 /nfs/dbraw/zinc/13/29/27/270132927.db2.gz RFKDTRDNLHDFHZ-BZUAXINKSA-N 2 1 264.457 3.419 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C1CCC1)C1CCC1 ZINC000527734700 270133222 /nfs/dbraw/zinc/13/32/22/270133222.db2.gz MAJLPXFUSZANJF-DLBZAZTESA-N 2 1 276.468 3.419 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527845127 270139356 /nfs/dbraw/zinc/13/93/56/270139356.db2.gz BXDYLXGDPJKNIU-BZNIZROVSA-N 2 1 296.817 3.398 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(C)C)CC[N@H+]1C ZINC000527919006 270143815 /nfs/dbraw/zinc/14/38/15/270143815.db2.gz QIDRCHORCKSZCP-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C2CCC2)C2CCC2)CC[N@H+]1C ZINC000527922919 270144561 /nfs/dbraw/zinc/14/45/61/270144561.db2.gz CBANFAFOPUUZMD-XJKSGUPXSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527933938 270145576 /nfs/dbraw/zinc/14/55/76/270145576.db2.gz UPUBIVLEUBGXFD-KXBFYZLASA-N 2 1 286.463 3.111 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000528414678 270164810 /nfs/dbraw/zinc/16/48/10/270164810.db2.gz FUQXPTYATRZGEJ-DZGCQCFKSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000528414678 270164811 /nfs/dbraw/zinc/16/48/11/270164811.db2.gz FUQXPTYATRZGEJ-DZGCQCFKSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000528414678 270164812 /nfs/dbraw/zinc/16/48/12/270164812.db2.gz FUQXPTYATRZGEJ-DZGCQCFKSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)[NH+]1CCCC1 ZINC000529534808 270183154 /nfs/dbraw/zinc/18/31/54/270183154.db2.gz QGDWKBGLGYMSIN-OCCSQVGLSA-N 2 1 274.399 3.130 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)C1CC(F)(F)C1)[NH+]1CCCC1 ZINC000529534809 270183343 /nfs/dbraw/zinc/18/33/43/270183343.db2.gz QGDWKBGLGYMSIN-TZMCWYRMSA-N 2 1 274.399 3.130 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568542 270185140 /nfs/dbraw/zinc/18/51/40/270185140.db2.gz BEBVYMZBJPIWRZ-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568542 270185141 /nfs/dbraw/zinc/18/51/41/270185141.db2.gz BEBVYMZBJPIWRZ-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568542 270185142 /nfs/dbraw/zinc/18/51/42/270185142.db2.gz BEBVYMZBJPIWRZ-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP c1ccc2c(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccnc2c1 ZINC000530287396 270198368 /nfs/dbraw/zinc/19/83/68/270198368.db2.gz XEDGHELOSARVDD-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CCC2(CCCC2)O1 ZINC000530359307 270199160 /nfs/dbraw/zinc/19/91/60/270199160.db2.gz MTYQHCILWLBESY-IXDOHACOSA-N 2 1 292.467 3.037 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CCC2(CCCC2)O1 ZINC000530359307 270199161 /nfs/dbraw/zinc/19/91/61/270199161.db2.gz MTYQHCILWLBESY-IXDOHACOSA-N 2 1 292.467 3.037 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCc2c(Cl)cccc21)[C@H](C)[NH3+] ZINC000423454504 274256975 /nfs/dbraw/zinc/25/69/75/274256975.db2.gz ZGIXTWGGVOELHS-IMSIIYSGSA-N 2 1 252.789 3.043 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000424301168 274284341 /nfs/dbraw/zinc/28/43/41/274284341.db2.gz XIQSYQVCCSQBKW-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1nccc2ccccc21 ZINC000423392580 274521640 /nfs/dbraw/zinc/52/16/40/274521640.db2.gz XSSOIXKAABJVMA-VNHYZAJKSA-N 2 1 269.392 3.026 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCS2 ZINC000423279479 274726130 /nfs/dbraw/zinc/72/61/30/274726130.db2.gz SAHQWTOIILNVBX-HUUCEWRRSA-N 2 1 278.465 3.413 20 0 CGADMP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414886601 274906775 /nfs/dbraw/zinc/90/67/75/274906775.db2.gz QCZPXNYSXIGAKA-KKUMJFAQSA-N 2 1 298.352 3.293 20 0 CGADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC000257709481 275390836 /nfs/dbraw/zinc/39/08/36/275390836.db2.gz SKRJQIGVNZTJER-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000414866947 276017558 /nfs/dbraw/zinc/01/75/58/276017558.db2.gz HYRYUWKPIINJHH-SJORKVTESA-N 2 1 260.425 3.220 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CS1 ZINC000488369694 276033412 /nfs/dbraw/zinc/03/34/12/276033412.db2.gz PNBZPAPBTMHGBA-LSDHHAIUSA-N 2 1 284.513 3.371 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439986 276033598 /nfs/dbraw/zinc/03/35/98/276033598.db2.gz ABRZKCQCVOPNRY-VVLHAWIVSA-N 2 1 298.540 3.474 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC000173902485 276074581 /nfs/dbraw/zinc/07/45/81/276074581.db2.gz UYGCQIMUTNHAEB-CQSZACIVSA-N 2 1 280.843 3.156 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccccc2Cl)C1 ZINC000173902485 276074576 /nfs/dbraw/zinc/07/45/76/276074576.db2.gz UYGCQIMUTNHAEB-CQSZACIVSA-N 2 1 280.843 3.156 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccccc2Cl)C1 ZINC000173902485 276074578 /nfs/dbraw/zinc/07/45/78/276074578.db2.gz UYGCQIMUTNHAEB-CQSZACIVSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000173902485 276074583 /nfs/dbraw/zinc/07/45/83/276074583.db2.gz UYGCQIMUTNHAEB-CQSZACIVSA-N 2 1 280.843 3.156 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000342689215 276076014 /nfs/dbraw/zinc/07/60/14/276076014.db2.gz NDTGDSSGSODTKT-MRXNPFEDSA-N 2 1 260.425 3.417 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2OC)C1 ZINC000449028248 276106370 /nfs/dbraw/zinc/10/63/70/276106370.db2.gz KUROAAKOXHKZMY-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2OC)C1 ZINC000449028248 276106371 /nfs/dbraw/zinc/10/63/71/276106371.db2.gz KUROAAKOXHKZMY-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC000464772697 276109458 /nfs/dbraw/zinc/10/94/58/276109458.db2.gz FYXRAIPNOKXXNX-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000464772697 276109459 /nfs/dbraw/zinc/10/94/59/276109459.db2.gz FYXRAIPNOKXXNX-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ncccc2CC)C1 ZINC000507498914 276263592 /nfs/dbraw/zinc/26/35/92/276263592.db2.gz XKEIYQBPBUFZGC-CABCVRRESA-N 2 1 275.440 3.027 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ncccc2CC)C1 ZINC000507498914 276263593 /nfs/dbraw/zinc/26/35/93/276263593.db2.gz XKEIYQBPBUFZGC-CABCVRRESA-N 2 1 275.440 3.027 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472619 276307948 /nfs/dbraw/zinc/30/79/48/276307948.db2.gz MASYWHFPDQUCPB-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472619 276307950 /nfs/dbraw/zinc/30/79/50/276307950.db2.gz MASYWHFPDQUCPB-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472619 276307951 /nfs/dbraw/zinc/30/79/51/276307951.db2.gz MASYWHFPDQUCPB-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCC2)CC1 ZINC000367609375 277043809 /nfs/dbraw/zinc/04/38/09/277043809.db2.gz WMAHTSJSZTURKM-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000414176614 277053490 /nfs/dbraw/zinc/05/34/90/277053490.db2.gz JGCSMBSWFOFJGY-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000414195358 277073338 /nfs/dbraw/zinc/07/33/38/277073338.db2.gz UTZWZGBPVIKNHN-RDTXWAMCSA-N 2 1 288.435 3.091 20 0 CGADMP COCC[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000364158129 277236913 /nfs/dbraw/zinc/23/69/13/277236913.db2.gz BMFPVWDACOVUSC-KRWDZBQOSA-N 2 1 282.472 3.001 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449188638 277679426 /nfs/dbraw/zinc/67/94/26/277679426.db2.gz SSXGUNIJZOSMDN-NUJGCVRESA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC000311237115 278025491 /nfs/dbraw/zinc/02/54/91/278025491.db2.gz WXGXVTZXHNNYKQ-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000245634303 278060161 /nfs/dbraw/zinc/06/01/61/278060161.db2.gz QXQWGKJUTRKGSC-RDJZCZTQSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000245634303 278060164 /nfs/dbraw/zinc/06/01/64/278060164.db2.gz QXQWGKJUTRKGSC-RDJZCZTQSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000245634303 278060165 /nfs/dbraw/zinc/06/01/65/278060165.db2.gz QXQWGKJUTRKGSC-RDJZCZTQSA-N 2 1 288.435 3.316 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459796816 278168398 /nfs/dbraw/zinc/16/83/98/278168398.db2.gz WJBUZIAUUFKRRU-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000397258911 288022162 /nfs/dbraw/zinc/02/21/62/288022162.db2.gz JHEJDPZSKOSZAL-LALPHHSUSA-N 2 1 282.378 3.429 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249952049 278208461 /nfs/dbraw/zinc/20/84/61/278208461.db2.gz IVOMHDHCEJZTGC-KFWWJZLASA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000249952049 278208462 /nfs/dbraw/zinc/20/84/62/278208462.db2.gz IVOMHDHCEJZTGC-KFWWJZLASA-N 2 1 284.513 3.228 20 0 CGADMP Cc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)ccc2n1 ZINC000397302751 288022651 /nfs/dbraw/zinc/02/26/51/288022651.db2.gz GRLHRRLHROYMSG-YEWWUXTCSA-N 2 1 297.446 3.348 20 0 CGADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000447582000 278225075 /nfs/dbraw/zinc/22/50/75/278225075.db2.gz VSUDJICWVGUJHA-DZKIICNBSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000447582000 278225077 /nfs/dbraw/zinc/22/50/77/278225077.db2.gz VSUDJICWVGUJHA-DZKIICNBSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000397409183 288023567 /nfs/dbraw/zinc/02/35/67/288023567.db2.gz VDQOWMPOPVICLN-VNHYZAJKSA-N 2 1 272.392 3.238 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000397441760 288023722 /nfs/dbraw/zinc/02/37/22/288023722.db2.gz IRMVPYPBUJYSAC-IIAWOOMASA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)C[NH+](C)C ZINC000293660952 278285315 /nfs/dbraw/zinc/28/53/15/278285315.db2.gz LXKZRNDTCYPEAS-GXTWGEPZSA-N 2 1 264.438 3.011 20 0 CGADMP CC(C)(C)C1CCC(C[NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000414808697 278301464 /nfs/dbraw/zinc/30/14/64/278301464.db2.gz SPVAWWIKEXLDML-PESDSKBTSA-N 2 1 252.446 3.166 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000298245325 278348778 /nfs/dbraw/zinc/34/87/78/278348778.db2.gz CXHPCOBVZGDSMW-LLVKDONJSA-N 2 1 297.324 3.332 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398017429 288037608 /nfs/dbraw/zinc/03/76/08/288037608.db2.gz HZZNIXLTOFOMCD-VQIMIIECSA-N 2 1 295.430 3.134 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000459530340 278497380 /nfs/dbraw/zinc/49/73/80/278497380.db2.gz PJCAPFIBKXBCQF-KFWWJZLASA-N 2 1 264.457 3.275 20 0 CGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000447543207 288072311 /nfs/dbraw/zinc/07/23/11/288072311.db2.gz QTMJAJLXJCBXTA-CQSZACIVSA-N 2 1 294.439 3.048 20 0 CGADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1F ZINC000459382503 288086240 /nfs/dbraw/zinc/08/62/40/288086240.db2.gz FNNFMZGNDSPFPD-MRXNPFEDSA-N 2 1 293.361 3.228 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccs1 ZINC000423535937 288084748 /nfs/dbraw/zinc/08/47/48/288084748.db2.gz YPLINRFGWDXYSJ-QWHCGFSZSA-N 2 1 252.427 3.306 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371587 288085424 /nfs/dbraw/zinc/08/54/24/288085424.db2.gz YLTBZGFIEFIWLG-OALUTQOASA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371587 288085425 /nfs/dbraw/zinc/08/54/25/288085425.db2.gz YLTBZGFIEFIWLG-OALUTQOASA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371587 288085427 /nfs/dbraw/zinc/08/54/27/288085427.db2.gz YLTBZGFIEFIWLG-OALUTQOASA-N 2 1 284.447 3.480 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000184261216 279025851 /nfs/dbraw/zinc/02/58/51/279025851.db2.gz WYQUTTPOYRWLNK-MRXNPFEDSA-N 2 1 275.440 3.163 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000414178395 288101413 /nfs/dbraw/zinc/10/14/13/288101413.db2.gz JSMNRVIREUECQN-CJQNXBEJSA-N 2 1 274.399 3.129 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353945742 288101649 /nfs/dbraw/zinc/10/16/49/288101649.db2.gz BZYKFXRZSJOYJV-WOPDTQHZSA-N 2 1 278.362 3.037 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000449065455 279262669 /nfs/dbraw/zinc/26/26/69/279262669.db2.gz UOMMHJMESUUUIJ-LZWOXQAQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CC1CCOCC1 ZINC000360004986 279306343 /nfs/dbraw/zinc/30/63/43/279306343.db2.gz DWKKRWIPUGBAQG-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)Cc1ccccc1F ZINC000438196839 279309787 /nfs/dbraw/zinc/30/97/87/279309787.db2.gz ACINBUHBJZLDKV-OWCLPIDISA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)Cc1ccccc1F ZINC000438196839 279309789 /nfs/dbraw/zinc/30/97/89/279309789.db2.gz ACINBUHBJZLDKV-OWCLPIDISA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H]1CC=CCC1 ZINC000516745877 288129339 /nfs/dbraw/zinc/12/93/39/288129339.db2.gz WFGPCAGQJSXADY-YVSFHVDLSA-N 2 1 264.457 3.299 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H]1CC=CCC1 ZINC000516745877 288129340 /nfs/dbraw/zinc/12/93/40/288129340.db2.gz WFGPCAGQJSXADY-YVSFHVDLSA-N 2 1 264.457 3.299 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000520618935 288135062 /nfs/dbraw/zinc/13/50/62/288135062.db2.gz CAOOHPRHGHETQM-NVAPOSRTSA-N 2 1 284.447 3.364 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000521858970 288140584 /nfs/dbraw/zinc/14/05/84/288140584.db2.gz JEGKGAGBHHRMGI-SNVBAGLBSA-N 2 1 274.330 3.143 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000527229390 288158147 /nfs/dbraw/zinc/15/81/47/288158147.db2.gz PNGFTOXGIAHBHH-AWEZNQCLSA-N 2 1 282.378 3.446 20 0 CGADMP Cc1[nH+]c2ccccc2c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000516340738 280184538 /nfs/dbraw/zinc/18/45/38/280184538.db2.gz VDZUMLVGVZCLKD-DOMZBBRYSA-N 2 1 283.419 3.168 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000401683594 280261540 /nfs/dbraw/zinc/26/15/40/280261540.db2.gz AVAMXNYKCBCYIV-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251930038 280265698 /nfs/dbraw/zinc/26/56/98/280265698.db2.gz ZENMTQXIBHWHNQ-WCVJEAGWSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000430711972 280328938 /nfs/dbraw/zinc/32/89/38/280328938.db2.gz GLWTURACUIBROD-XRGAULLZSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(F)ccc1F ZINC000423394951 280975194 /nfs/dbraw/zinc/97/51/94/280975194.db2.gz MZLLVKJZWCFKSU-LKTVYLICSA-N 2 1 268.351 3.004 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CCC[C@H]([NH+](C)C)CC3)c2c1 ZINC000335361473 281147954 /nfs/dbraw/zinc/14/79/54/281147954.db2.gz YQQVPOIEFGRPPO-INIZCTEOSA-N 2 1 283.419 3.464 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000531715250 288342457 /nfs/dbraw/zinc/34/24/57/288342457.db2.gz HFXXSZWEZGRCBH-WBMJQRKESA-N 2 1 278.827 3.259 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1(C)C ZINC000531994152 288348864 /nfs/dbraw/zinc/34/88/64/288348864.db2.gz SFTVFZNKYJIVMN-OVYGPGRDSA-N 2 1 296.499 3.289 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000532225421 288356248 /nfs/dbraw/zinc/35/62/48/288356248.db2.gz YSFKVIVMXWUCCB-SJLPKXTDSA-N 2 1 272.436 3.459 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000532442756 288361122 /nfs/dbraw/zinc/36/11/22/288361122.db2.gz KKFYOSUFPITAEH-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H]1C)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000533432393 288381029 /nfs/dbraw/zinc/38/10/29/288381029.db2.gz ZKGBWZMRRKFEMM-QRJUGERDSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H](C[NH+]1C[C@@H](C)C[C@@H]1C)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000533432393 288381030 /nfs/dbraw/zinc/38/10/30/288381030.db2.gz ZKGBWZMRRKFEMM-QRJUGERDSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H](C[NH+]1C[C@@H](C)C[C@@H]1C)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533432393 288381034 /nfs/dbraw/zinc/38/10/34/288381034.db2.gz ZKGBWZMRRKFEMM-QRJUGERDSA-N 2 1 252.446 3.083 20 0 CGADMP CCc1[nH+]c2ccccc2c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000548791380 289022815 /nfs/dbraw/zinc/02/28/15/289022815.db2.gz JPCGFQORBVYGOY-HIFRSBDPSA-N 2 1 297.446 3.422 20 0 CGADMP C[NH+](C)CCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000151908630 289117857 /nfs/dbraw/zinc/11/78/57/289117857.db2.gz KCGWCSKZJHGVLS-AWEZNQCLSA-N 2 1 282.815 3.095 20 0 CGADMP CCC1CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000551521083 289119330 /nfs/dbraw/zinc/11/93/30/289119330.db2.gz XLLCUAXVIXBKDK-IIIMJFFVSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000552043952 289153776 /nfs/dbraw/zinc/15/37/76/289153776.db2.gz HZCDCIIKROSPPA-UONOGXRCSA-N 2 1 296.405 3.217 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000552043950 289153916 /nfs/dbraw/zinc/15/39/16/289153916.db2.gz HZCDCIIKROSPPA-KBPBESRZSA-N 2 1 296.405 3.217 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552062022 289157577 /nfs/dbraw/zinc/15/75/77/289157577.db2.gz IRGHNPCQHNQPJZ-FKSLSLAPSA-N 2 1 284.447 3.080 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000552097874 289162723 /nfs/dbraw/zinc/16/27/23/289162723.db2.gz POJBHXMSGPMHDS-RDJZCZTQSA-N 2 1 290.451 3.090 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000552097874 289162724 /nfs/dbraw/zinc/16/27/24/289162724.db2.gz POJBHXMSGPMHDS-RDJZCZTQSA-N 2 1 290.451 3.090 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccsc1 ZINC000552338654 289182636 /nfs/dbraw/zinc/18/26/36/289182636.db2.gz LIWADCHOLAZLRF-HIFRSBDPSA-N 2 1 266.454 3.143 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccsc1 ZINC000552338654 289182640 /nfs/dbraw/zinc/18/26/40/289182640.db2.gz LIWADCHOLAZLRF-HIFRSBDPSA-N 2 1 266.454 3.143 20 0 CGADMP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000555226660 289333824 /nfs/dbraw/zinc/33/38/24/289333824.db2.gz DTRRUGRRPGLDRT-NJAFHUGGSA-N 2 1 274.452 3.499 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000555226660 289333827 /nfs/dbraw/zinc/33/38/27/289333827.db2.gz DTRRUGRRPGLDRT-NJAFHUGGSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000342588279 290003388 /nfs/dbraw/zinc/00/33/88/290003388.db2.gz CUTLZSFYWVWPIY-SQWLQELKSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)c2ccccc21 ZINC000423273789 290035614 /nfs/dbraw/zinc/03/56/14/290035614.db2.gz JJVWNKZRCXPLRO-APPDUMDISA-N 2 1 272.367 3.367 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3cc(F)ccc32)C1 ZINC000302727231 290241251 /nfs/dbraw/zinc/24/12/51/290241251.db2.gz KGNXSMUHASKFDG-GUYCJALGSA-N 2 1 299.393 3.294 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3cc(F)ccc32)C1 ZINC000302727231 290241255 /nfs/dbraw/zinc/24/12/55/290241255.db2.gz KGNXSMUHASKFDG-GUYCJALGSA-N 2 1 299.393 3.294 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380079 290246650 /nfs/dbraw/zinc/24/66/50/290246650.db2.gz RDZBMWVZHIPJDS-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380079 290246653 /nfs/dbraw/zinc/24/66/53/290246653.db2.gz RDZBMWVZHIPJDS-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125298668 290248204 /nfs/dbraw/zinc/24/82/04/290248204.db2.gz YSTFKWFSSWBTEG-JMGFVUJMSA-N 2 1 278.827 3.460 20 0 CGADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cs1 ZINC000449238008 533693173 /nfs/dbraw/zinc/69/31/73/533693173.db2.gz DZLVOQCGULSQFU-CYBMUJFWSA-N 2 1 266.454 3.411 20 0 CGADMP [NH3+]CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000423189235 295234991 /nfs/dbraw/zinc/23/49/91/295234991.db2.gz QQSJHSRNWGACFG-HUUCEWRRSA-N 2 1 266.816 3.305 20 0 CGADMP Cc1ccc([C@H]([NH2+]CC(C)(C)[NH3+])C2CCCC2)o1 ZINC000423288822 301804814 /nfs/dbraw/zinc/80/48/14/301804814.db2.gz VGFNWCZUDYAKDW-CQSZACIVSA-N 2 1 250.386 3.146 20 0 CGADMP Cc1ccc(C)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000392204293 329238146 /nfs/dbraw/zinc/23/81/46/329238146.db2.gz LSGZMSMORVTKKU-HNNXBMFYSA-N 2 1 258.409 3.216 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000401760574 321969376 /nfs/dbraw/zinc/96/93/76/321969376.db2.gz USCDYNTWVNHMCW-UHFFFAOYSA-N 2 1 263.429 3.157 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3cccc(F)c3[C@@H]2C)CC[NH2+]1 ZINC000563796198 322010429 /nfs/dbraw/zinc/01/04/29/322010429.db2.gz UQFKTKWZUBQLFI-RDBSUJKOSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000563895546 322014793 /nfs/dbraw/zinc/01/47/93/322014793.db2.gz VABAKYWMLJIXBJ-CYBMUJFWSA-N 2 1 283.375 3.450 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000564312645 322026264 /nfs/dbraw/zinc/02/62/64/322026264.db2.gz GXOIRUOHJZOFSP-MRXNPFEDSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000565432309 322077817 /nfs/dbraw/zinc/07/78/17/322077817.db2.gz ZLKBBRCWMHJOPZ-GOEBONIOSA-N 2 1 297.402 3.186 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000565432309 322077818 /nfs/dbraw/zinc/07/78/18/322077818.db2.gz ZLKBBRCWMHJOPZ-GOEBONIOSA-N 2 1 297.402 3.186 20 0 CGADMP CCc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000565640462 322085244 /nfs/dbraw/zinc/08/52/44/322085244.db2.gz LKHDEFBUHHHJGO-UHFFFAOYSA-N 2 1 266.454 3.275 20 0 CGADMP COc1cc(-c2ccccc2)ccc1C[N@H+](C)CCC[NH3+] ZINC000567110706 322150863 /nfs/dbraw/zinc/15/08/63/322150863.db2.gz SXUVYJJWIPFCBJ-UHFFFAOYSA-N 2 1 284.403 3.143 20 0 CGADMP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)CCC[NH3+] ZINC000567110706 322150865 /nfs/dbraw/zinc/15/08/65/322150865.db2.gz SXUVYJJWIPFCBJ-UHFFFAOYSA-N 2 1 284.403 3.143 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@@H](C)c1ccccc1 ZINC000567200877 322154293 /nfs/dbraw/zinc/15/42/93/322154293.db2.gz AKTCKQLWYOZUSO-MRXNPFEDSA-N 2 1 262.441 3.454 20 0 CGADMP CC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000567201118 322154449 /nfs/dbraw/zinc/15/44/49/322154449.db2.gz KUSDBOPSQSAKDT-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000567201118 322154450 /nfs/dbraw/zinc/15/44/50/322154450.db2.gz KUSDBOPSQSAKDT-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000567201118 322154452 /nfs/dbraw/zinc/15/44/52/322154452.db2.gz KUSDBOPSQSAKDT-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000567201118 322154453 /nfs/dbraw/zinc/15/44/53/322154453.db2.gz KUSDBOPSQSAKDT-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000567298882 322158176 /nfs/dbraw/zinc/15/81/76/322158176.db2.gz VPADQRYEPBJAJN-XMTFNYHQSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000567298882 322158177 /nfs/dbraw/zinc/15/81/77/322158177.db2.gz VPADQRYEPBJAJN-XMTFNYHQSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000568768403 322222274 /nfs/dbraw/zinc/22/22/74/322222274.db2.gz RHJJMEOOCGBLMJ-SJORKVTESA-N 2 1 296.499 3.028 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2ccccc21 ZINC000569592329 322251533 /nfs/dbraw/zinc/25/15/33/322251533.db2.gz ASEWMGODVRAQGX-IEBWSBKVSA-N 2 1 293.414 3.279 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccsc2)C1 ZINC000570856958 322283956 /nfs/dbraw/zinc/28/39/56/322283956.db2.gz LMNPURFHHIDCRL-GDBMZVCRSA-N 2 1 280.481 3.389 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000572625717 322347146 /nfs/dbraw/zinc/34/71/46/322347146.db2.gz UGPMRDILGSWKTB-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000572625717 322347149 /nfs/dbraw/zinc/34/71/49/322347149.db2.gz UGPMRDILGSWKTB-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000572625717 322347152 /nfs/dbraw/zinc/34/71/52/322347152.db2.gz UGPMRDILGSWKTB-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000572892575 322360275 /nfs/dbraw/zinc/36/02/75/322360275.db2.gz IZGWNFUPDYVNMX-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000572892575 322360278 /nfs/dbraw/zinc/36/02/78/322360278.db2.gz IZGWNFUPDYVNMX-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000573228805 322377094 /nfs/dbraw/zinc/37/70/94/322377094.db2.gz AWLVGEUWZMUSMC-QXAKKESOSA-N 2 1 298.474 3.489 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cscn1 ZINC000583928676 326799187 /nfs/dbraw/zinc/79/91/87/326799187.db2.gz UXTJYDKDGLMWSA-WDEREUQCSA-N 2 1 261.394 3.014 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000394668267 329126646 /nfs/dbraw/zinc/12/66/46/329126646.db2.gz VRDHSXZJPXLAOS-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336863060 335121969 /nfs/dbraw/zinc/12/19/69/335121969.db2.gz HQWOEPXXIWADBN-HZPDHXFCSA-N 2 1 297.446 3.203 20 0 CGADMP CC(C)[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000576594438 335224231 /nfs/dbraw/zinc/22/42/31/335224231.db2.gz YRKHIKRSUGCSBA-KRWDZBQOSA-N 2 1 289.398 3.479 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000576626465 335227448 /nfs/dbraw/zinc/22/74/48/335227448.db2.gz GMTMJFAOWVVDAR-OAHLLOKOSA-N 2 1 264.413 3.044 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccnc3ccccc23)C1 ZINC000576670039 335232912 /nfs/dbraw/zinc/23/29/12/335232912.db2.gz MOGBKLYOOLPRLX-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000576809754 335250065 /nfs/dbraw/zinc/25/00/65/335250065.db2.gz DYURFGAUQACFDO-OALUTQOASA-N 2 1 286.463 3.249 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000177264133 335369467 /nfs/dbraw/zinc/36/94/67/335369467.db2.gz DCZZPSORQQTXHW-BBWFWOEESA-N 2 1 296.499 3.434 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000579108523 335709854 /nfs/dbraw/zinc/70/98/54/335709854.db2.gz WQKAZSMAVHTKHT-CQSZACIVSA-N 2 1 264.413 3.042 20 0 CGADMP CC(C)[C@H](C[NH2+]CC1(C)CC1)[NH+]1CCC(C)CC1 ZINC000579663574 335841257 /nfs/dbraw/zinc/84/12/57/335841257.db2.gz XQEXPJYNCWWJJG-HNNXBMFYSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000183732260 335904251 /nfs/dbraw/zinc/90/42/51/335904251.db2.gz WYINQMNMSFEFDO-IJEWVQPXSA-N 2 1 263.429 3.244 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccoc1 ZINC000184500079 335927430 /nfs/dbraw/zinc/92/74/30/335927430.db2.gz JSRDAIJLZRBKTE-UONOGXRCSA-N 2 1 250.386 3.195 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000581191142 336022060 /nfs/dbraw/zinc/02/20/60/336022060.db2.gz MLRPKSBGDUOAMV-AEFFLSMTSA-N 2 1 292.442 3.324 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000581279874 336035889 /nfs/dbraw/zinc/03/58/89/336035889.db2.gz LVAKGBYGNHUQHO-HUUCEWRRSA-N 2 1 266.429 3.311 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000581279874 336035890 /nfs/dbraw/zinc/03/58/90/336035890.db2.gz LVAKGBYGNHUQHO-HUUCEWRRSA-N 2 1 266.429 3.311 20 0 CGADMP C[N@@H+](CCCn1ccnc1)C[C@@H]1CCCC(C)(C)C1 ZINC000581337427 336051967 /nfs/dbraw/zinc/05/19/67/336051967.db2.gz KHBPFHUWRIIVLF-OAHLLOKOSA-N 2 1 263.429 3.421 20 0 CGADMP CC[NH+](CC)Cc1cccc(N[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000382864564 336098394 /nfs/dbraw/zinc/09/83/94/336098394.db2.gz GFQRJJCYGQCFLN-QAPCUYQASA-N 2 1 289.467 3.281 20 0 CGADMP CSCC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000385808188 336157069 /nfs/dbraw/zinc/15/70/69/336157069.db2.gz HTRKCYMYNJYDQN-CKUJCDMFSA-N 2 1 282.497 3.125 20 0 CGADMP CSCC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000385808188 336157070 /nfs/dbraw/zinc/15/70/70/336157070.db2.gz HTRKCYMYNJYDQN-CKUJCDMFSA-N 2 1 282.497 3.125 20 0 CGADMP Cn1cncc1CCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000581951609 336178260 /nfs/dbraw/zinc/17/82/60/336178260.db2.gz HTVJDJVPFOGGNV-UHFFFAOYSA-N 2 1 299.393 3.281 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000581951609 336178263 /nfs/dbraw/zinc/17/82/63/336178263.db2.gz HTVJDJVPFOGGNV-UHFFFAOYSA-N 2 1 299.393 3.281 20 0 CGADMP COc1cccc2c(NC3CC[NH+](C)CC3)cc(C)[nH+]c12 ZINC000153031851 533841748 /nfs/dbraw/zinc/84/17/48/533841748.db2.gz QTULLKGZROPCEU-UHFFFAOYSA-N 2 1 285.391 3.058 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303696 533896216 /nfs/dbraw/zinc/89/62/16/533896216.db2.gz CGUISWXYUXEEEM-WSMBLCCSSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303696 533896218 /nfs/dbraw/zinc/89/62/18/533896218.db2.gz CGUISWXYUXEEEM-WSMBLCCSSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427896032 533896408 /nfs/dbraw/zinc/89/64/08/533896408.db2.gz UYJQBKMJGFYOTG-YJBOKZPZSA-N 2 1 292.442 3.468 20 0 CGADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000449131280 534007089 /nfs/dbraw/zinc/00/70/89/534007089.db2.gz LIUJGZXIFGKECY-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000449131280 534007095 /nfs/dbraw/zinc/00/70/95/534007095.db2.gz LIUJGZXIFGKECY-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000358452283 534067257 /nfs/dbraw/zinc/06/72/57/534067257.db2.gz PEWSNIMVIXFELH-QWHCGFSZSA-N 2 1 298.377 3.233 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000358452283 534067267 /nfs/dbraw/zinc/06/72/67/534067267.db2.gz PEWSNIMVIXFELH-QWHCGFSZSA-N 2 1 298.377 3.233 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc(Cl)c1 ZINC000427122886 534070374 /nfs/dbraw/zinc/07/03/74/534070374.db2.gz UDOZOSUFWGYMNW-XPKDYRNWSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc(Cl)c1 ZINC000427122886 534070381 /nfs/dbraw/zinc/07/03/81/534070381.db2.gz UDOZOSUFWGYMNW-XPKDYRNWSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)C[NH+](C)C ZINC000425936438 534080763 /nfs/dbraw/zinc/08/07/63/534080763.db2.gz MQVZPHVGJZZLLN-SWLSCSKDSA-N 2 1 296.842 3.341 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000449084191 534259183 /nfs/dbraw/zinc/25/91/83/534259183.db2.gz WUASSODQPNQHSC-YOEHRIQHSA-N 2 1 278.440 3.311 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C)CC1 ZINC000449061371 534266140 /nfs/dbraw/zinc/26/61/40/534266140.db2.gz IHIAUESTKFROSX-ZDUSSCGKSA-N 2 1 272.392 3.048 20 0 CGADMP Cc1ccoc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358480627 534446676 /nfs/dbraw/zinc/44/66/76/534446676.db2.gz GMYSORYUDBWKJA-GJZGRUSLSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccoc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358480627 534446680 /nfs/dbraw/zinc/44/66/80/534446680.db2.gz GMYSORYUDBWKJA-GJZGRUSLSA-N 2 1 276.424 3.331 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427101686 534465774 /nfs/dbraw/zinc/46/57/74/534465774.db2.gz CMGFFBQUKZSMTO-RDJZCZTQSA-N 2 1 282.387 3.130 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427101686 534465779 /nfs/dbraw/zinc/46/57/79/534465779.db2.gz CMGFFBQUKZSMTO-RDJZCZTQSA-N 2 1 282.387 3.130 20 0 CGADMP CCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000088163941 521000579 /nfs/dbraw/zinc/00/05/79/521000579.db2.gz UVTZLRMGNKKNKM-ALOPSCKCSA-N 2 1 288.435 3.190 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000081578942 521496728 /nfs/dbraw/zinc/49/67/28/521496728.db2.gz FVFCLGGERLRAEL-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000081578942 521496733 /nfs/dbraw/zinc/49/67/33/521496733.db2.gz FVFCLGGERLRAEL-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000081578942 521496741 /nfs/dbraw/zinc/49/67/41/521496741.db2.gz FVFCLGGERLRAEL-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643969 522618360 /nfs/dbraw/zinc/61/83/60/522618360.db2.gz XENQXFNQEPKKMO-YOEHRIQHSA-N 2 1 276.424 3.078 20 0 CGADMP COCc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157391395 523106628 /nfs/dbraw/zinc/10/66/28/523106628.db2.gz JOCLWRSPRWIPIZ-QZTJIDSGSA-N 2 1 282.387 3.067 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000049553258 524168142 /nfs/dbraw/zinc/16/81/42/524168142.db2.gz XOVDICDYVLBIFZ-TZMCWYRMSA-N 2 1 264.438 3.153 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157589649 524237502 /nfs/dbraw/zinc/23/75/02/524237502.db2.gz ORCNUOQVAHXNFH-VLOYRQLPSA-N 2 1 284.447 3.457 20 0 CGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C2CC2)c1 ZINC000157465898 526428307 /nfs/dbraw/zinc/42/83/07/526428307.db2.gz JKYZYYYWNMFUQT-QZTJIDSGSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C2CC2)c1 ZINC000157466040 526430043 /nfs/dbraw/zinc/43/00/43/526430043.db2.gz JKYZYYYWNMFUQT-ZWKOTPCHSA-N 2 1 270.420 3.280 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310827 527851302 /nfs/dbraw/zinc/85/13/02/527851302.db2.gz VHZWBQIOWRZKRQ-JLSDUUJJSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310827 527851307 /nfs/dbraw/zinc/85/13/07/527851307.db2.gz VHZWBQIOWRZKRQ-JLSDUUJJSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310827 527851312 /nfs/dbraw/zinc/85/13/12/527851312.db2.gz VHZWBQIOWRZKRQ-JLSDUUJJSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310827 527851318 /nfs/dbraw/zinc/85/13/18/527851318.db2.gz VHZWBQIOWRZKRQ-JLSDUUJJSA-N 2 1 290.426 3.345 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000084194273 528087059 /nfs/dbraw/zinc/08/70/59/528087059.db2.gz JCRNZZSUALDYRF-GOSISDBHSA-N 2 1 272.436 3.038 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427119206 528129760 /nfs/dbraw/zinc/12/97/60/528129760.db2.gz GUWKGIXFWKQRPW-KURKYZTESA-N 2 1 272.436 3.254 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2cccc(C)c2)C1 ZINC000449031761 528175731 /nfs/dbraw/zinc/17/57/31/528175731.db2.gz WDGYQSWISKMEOO-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000414074739 528261678 /nfs/dbraw/zinc/26/16/78/528261678.db2.gz OKDUINVBFMDALI-BZUAXINKSA-N 2 1 296.499 3.290 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449088703 528262558 /nfs/dbraw/zinc/26/25/58/528262558.db2.gz BUQGBRLYNBOXNY-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000423388988 528315136 /nfs/dbraw/zinc/31/51/36/528315136.db2.gz NVRLECKFQXCDRR-SRVKXCTJSA-N 2 1 267.442 3.187 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449385381 528316111 /nfs/dbraw/zinc/31/61/11/528316111.db2.gz QCEOKAPWJFNAPN-RDJZCZTQSA-N 2 1 278.440 3.311 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423243810 528333161 /nfs/dbraw/zinc/33/31/61/528333161.db2.gz KKCIBWKYVJZBTD-GDBMZVCRSA-N 2 1 294.414 3.060 20 0 CGADMP CCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424384766 528431483 /nfs/dbraw/zinc/43/14/83/528431483.db2.gz VONUIVJTEXXAKA-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000423272140 528519581 /nfs/dbraw/zinc/51/95/81/528519581.db2.gz YRUWTWHJDJAWFQ-IXDOHACOSA-N 2 1 260.425 3.286 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423268496 528534203 /nfs/dbraw/zinc/53/42/03/528534203.db2.gz GKVVJQVVSGYHIY-KSSFIOAISA-N 2 1 283.419 3.383 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000084194265 528649612 /nfs/dbraw/zinc/64/96/12/528649612.db2.gz TVSIEWRBFYUPIH-GOSISDBHSA-N 2 1 272.436 3.071 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1OC ZINC000423458201 528690962 /nfs/dbraw/zinc/69/09/62/528690962.db2.gz GPZVQQRBMASKMN-ZFWWWQNUSA-N 2 1 294.439 3.262 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000359646061 528818187 /nfs/dbraw/zinc/81/81/87/528818187.db2.gz TXLTUFATTNRLCA-WMLDXEAASA-N 2 1 260.425 3.240 20 0 CGADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(F)c1 ZINC000359223985 528880336 /nfs/dbraw/zinc/88/03/36/528880336.db2.gz RXCBOHKGXYKBOL-UHFFFAOYSA-N 2 1 278.415 3.426 20 0 CGADMP CCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534488 528914924 /nfs/dbraw/zinc/91/49/24/528914924.db2.gz WFRUDZJOBGNPNI-YESZJQIVSA-N 2 1 260.425 3.300 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423288879 528950809 /nfs/dbraw/zinc/95/08/09/528950809.db2.gz VNOAOPYAZQKNFB-CQSZACIVSA-N 2 1 280.387 3.147 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423287665 528952456 /nfs/dbraw/zinc/95/24/56/528952456.db2.gz NTKSBOJMDXOJLO-SNVBAGLBSA-N 2 1 256.340 3.133 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000423288176 528954156 /nfs/dbraw/zinc/95/41/56/528954156.db2.gz QWBKPYIAPCEBFT-HNNXBMFYSA-N 2 1 292.423 3.016 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423301138 528955893 /nfs/dbraw/zinc/95/58/93/528955893.db2.gz SOKKEBSJQRJAIJ-RHSMWYFYSA-N 2 1 276.424 3.180 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000423304015 528955961 /nfs/dbraw/zinc/95/59/61/528955961.db2.gz XZOPIJSBNRAEEQ-UONOGXRCSA-N 2 1 294.439 3.180 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000423295773 528957341 /nfs/dbraw/zinc/95/73/41/528957341.db2.gz FPCCJRRGVCDLFO-GVDBMIGSSA-N 2 1 260.425 3.430 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(CC)s1 ZINC000423298866 528957557 /nfs/dbraw/zinc/95/75/57/528957557.db2.gz PAKPGPCTHYTZDN-VXGBXAGGSA-N 2 1 254.443 3.479 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427099262 528995156 /nfs/dbraw/zinc/99/51/56/528995156.db2.gz GXJOCIQKHXLOGO-SQNIBIBYSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1F ZINC000423377890 529126348 /nfs/dbraw/zinc/12/63/48/529126348.db2.gz KQDXOHNAWRVKCN-KFNAQCHYSA-N 2 1 282.378 3.392 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1F ZINC000423542408 529161585 /nfs/dbraw/zinc/16/15/85/529161585.db2.gz AYBFYHOWJICSKQ-OAHLLOKOSA-N 2 1 250.361 3.009 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000449285038 529161879 /nfs/dbraw/zinc/16/18/79/529161879.db2.gz QNIBVIYYSCXLHJ-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000449285038 529161882 /nfs/dbraw/zinc/16/18/82/529161882.db2.gz QNIBVIYYSCXLHJ-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000423276846 529173472 /nfs/dbraw/zinc/17/34/72/529173472.db2.gz OYDUDQRACVGBIO-ZIAGYGMSSA-N 2 1 299.256 3.473 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2OCC)C1 ZINC000481029201 534950166 /nfs/dbraw/zinc/95/01/66/534950166.db2.gz ZMMFDJNMSQUVKL-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2OCC)C1 ZINC000481029201 534950171 /nfs/dbraw/zinc/95/01/71/534950171.db2.gz ZMMFDJNMSQUVKL-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000128491736 535063136 /nfs/dbraw/zinc/06/31/36/535063136.db2.gz OAATYIIMHBFIMY-MRXNPFEDSA-N 2 1 271.408 3.040 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000128491736 535063141 /nfs/dbraw/zinc/06/31/41/535063141.db2.gz OAATYIIMHBFIMY-MRXNPFEDSA-N 2 1 271.408 3.040 20 0 CGADMP CCOc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000037678431 535456096 /nfs/dbraw/zinc/45/60/96/535456096.db2.gz VZAKHXBENRPYNK-UHFFFAOYSA-N 2 1 276.424 3.048 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000125234953 535458156 /nfs/dbraw/zinc/45/81/56/535458156.db2.gz VHBGDMDHGJBWHC-UHFFFAOYSA-N 2 1 264.388 3.050 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000125234953 535458159 /nfs/dbraw/zinc/45/81/59/535458159.db2.gz VHBGDMDHGJBWHC-UHFFFAOYSA-N 2 1 264.388 3.050 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCSCc2ccccc2)C1 ZINC000459796028 536383844 /nfs/dbraw/zinc/38/38/44/536383844.db2.gz VYCZFROYFSYNKD-MRXNPFEDSA-N 2 1 292.492 3.241 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000459728668 536383985 /nfs/dbraw/zinc/38/39/85/536383985.db2.gz ISIZTJJGYRKRHI-OAHLLOKOSA-N 2 1 299.418 3.163 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000459780903 536384021 /nfs/dbraw/zinc/38/40/21/536384021.db2.gz LUCUTPJKLDWGGE-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459799840 536384437 /nfs/dbraw/zinc/38/44/37/536384437.db2.gz ZFWMKTICCJTVJT-WLYUNCDWSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000459734411 536386141 /nfs/dbraw/zinc/38/61/41/536386141.db2.gz HCCTUGRVPDRMAG-KFWWJZLASA-N 2 1 284.513 3.228 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3ccc(Cl)cc3)C2)C1 ZINC000451072050 536395155 /nfs/dbraw/zinc/39/51/55/536395155.db2.gz UXKPZTGETKLSAV-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3ccc(Cl)cc3)C2)C1 ZINC000451072050 536395158 /nfs/dbraw/zinc/39/51/58/536395158.db2.gz UXKPZTGETKLSAV-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3ccc(Cl)cc3)C2)C1 ZINC000451072050 536395160 /nfs/dbraw/zinc/39/51/60/536395160.db2.gz UXKPZTGETKLSAV-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000513330558 536652007 /nfs/dbraw/zinc/65/20/07/536652007.db2.gz LYVQRKWSGORKIR-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CC[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000255371174 571672746 /nfs/dbraw/zinc/67/27/46/571672746.db2.gz XCCCAVMOUKFLLJ-ILNYKDOHSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000166335536 572460653 /nfs/dbraw/zinc/46/06/53/572460653.db2.gz CQZJSNHRYYNENS-AIANPOQGSA-N 2 1 260.425 3.251 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000166335536 572460654 /nfs/dbraw/zinc/46/06/54/572460654.db2.gz CQZJSNHRYYNENS-AIANPOQGSA-N 2 1 260.425 3.251 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(Cl)c1 ZINC000197657372 572503426 /nfs/dbraw/zinc/50/34/26/572503426.db2.gz KSBZVXIWMDXOAL-UHFFFAOYSA-N 2 1 284.831 3.122 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(Cl)c1 ZINC000197657372 572503430 /nfs/dbraw/zinc/50/34/30/572503430.db2.gz KSBZVXIWMDXOAL-UHFFFAOYSA-N 2 1 284.831 3.122 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000211141942 572519824 /nfs/dbraw/zinc/51/98/24/572519824.db2.gz ZBZPMNIIYMASJA-WBMJQRKESA-N 2 1 280.843 3.127 20 0 CGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000891676880 618245755 /nfs/dbraw/zinc/24/57/55/618245755.db2.gz CJWPWGQTYSDSPJ-INIZCTEOSA-N 2 1 290.451 3.038 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000892120455 618542466 /nfs/dbraw/zinc/54/24/66/618542466.db2.gz LTEUCMULVASSCP-INIZCTEOSA-N 2 1 278.827 3.429 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000782185066 618736405 /nfs/dbraw/zinc/73/64/05/618736405.db2.gz WKDFETJVXSFTAD-CQSZACIVSA-N 2 1 276.424 3.030 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1nccc2Cl)C1CC1 ZINC000926561418 618744519 /nfs/dbraw/zinc/74/45/19/618744519.db2.gz YDIVGQVHACZENQ-OAHLLOKOSA-N 2 1 293.842 3.186 20 0 CGADMP Cc1cc(CNCCC[N@H+](C)C2CCCCC2)cnc1F ZINC000892450461 618788543 /nfs/dbraw/zinc/78/85/43/618788543.db2.gz DWWSBKIWEOQFTL-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cnc1F ZINC000892450461 618788547 /nfs/dbraw/zinc/78/85/47/618788547.db2.gz DWWSBKIWEOQFTL-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cnc1F ZINC000892450461 618788550 /nfs/dbraw/zinc/78/85/50/618788550.db2.gz DWWSBKIWEOQFTL-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C)(O)CC1)CC(C)C ZINC000892535293 618853205 /nfs/dbraw/zinc/85/32/05/618853205.db2.gz JDKHLYSRZAQZBJ-CGZBRXJRSA-N 2 1 284.488 3.026 20 0 CGADMP CCSc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000924576547 618866836 /nfs/dbraw/zinc/86/68/36/618866836.db2.gz SJFNXUKRNGHJPQ-CQSZACIVSA-N 2 1 292.492 3.413 20 0 CGADMP Fc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C(F)F ZINC000892606467 618872445 /nfs/dbraw/zinc/87/24/45/618872445.db2.gz AVBKHGMENUWTGM-OLZOCXBDSA-N 2 1 298.352 3.480 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C(F)F ZINC000892606467 618872446 /nfs/dbraw/zinc/87/24/46/618872446.db2.gz AVBKHGMENUWTGM-OLZOCXBDSA-N 2 1 298.352 3.480 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C(F)F ZINC000892606467 618872447 /nfs/dbraw/zinc/87/24/47/618872447.db2.gz AVBKHGMENUWTGM-OLZOCXBDSA-N 2 1 298.352 3.480 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@H+](C)C[C@@H](C)[NH3+] ZINC000309452495 618896911 /nfs/dbraw/zinc/89/69/11/618896911.db2.gz RIAFLGNPWUJVHO-ZWNOBZJWSA-N 2 1 285.229 3.179 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000309452495 618896912 /nfs/dbraw/zinc/89/69/12/618896912.db2.gz RIAFLGNPWUJVHO-ZWNOBZJWSA-N 2 1 285.229 3.179 20 0 CGADMP C[C@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)CC(C)(C)C ZINC000931285607 619138021 /nfs/dbraw/zinc/13/80/21/619138021.db2.gz RGSGMGSMEDKIEC-INIZCTEOSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)CC(C)(C)C ZINC000931285607 619138025 /nfs/dbraw/zinc/13/80/25/619138025.db2.gz RGSGMGSMEDKIEC-INIZCTEOSA-N 2 1 296.499 3.245 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3C=CCCCCC3)C[C@@]2(C)C1 ZINC000931315040 619142407 /nfs/dbraw/zinc/14/24/07/619142407.db2.gz SOYSWOGLHGCTTC-BRWVUGGUSA-N 2 1 262.441 3.149 20 0 CGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925735665 619209890 /nfs/dbraw/zinc/20/98/90/619209890.db2.gz IAZKGRYIAWMOHW-CHWSQXEVSA-N 2 1 296.842 3.215 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(C)s1 ZINC000925779699 619242341 /nfs/dbraw/zinc/24/23/41/619242341.db2.gz OQKXZAHTMZFKLU-ZYHUDNBSSA-N 2 1 288.407 3.260 20 0 CGADMP CC(C)C(C(C)C)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814633 619260937 /nfs/dbraw/zinc/26/09/37/619260937.db2.gz NQCBRBUNMONXPQ-ZIAGYGMSSA-N 2 1 263.429 3.104 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccccc1 ZINC000925854891 619296466 /nfs/dbraw/zinc/29/64/66/619296466.db2.gz BERWEFRZKKAHDN-NUEKZKHPSA-N 2 1 290.476 3.483 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261652355 619299004 /nfs/dbraw/zinc/29/90/04/619299004.db2.gz BDTVLDRIUUNEBU-CQSZACIVSA-N 2 1 286.341 3.185 20 0 CGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCCC3)C2)c1 ZINC000236574339 619304629 /nfs/dbraw/zinc/30/46/29/619304629.db2.gz KNLUZFKZRPGDOW-AWEZNQCLSA-N 2 1 278.465 3.492 20 0 CGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCCC3)C2)c1 ZINC000236574339 619304633 /nfs/dbraw/zinc/30/46/33/619304633.db2.gz KNLUZFKZRPGDOW-AWEZNQCLSA-N 2 1 278.465 3.492 20 0 CGADMP Fc1cccc(/C=C\C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000894041259 619356470 /nfs/dbraw/zinc/35/64/70/619356470.db2.gz CZHVVIUJZRVERQ-AATOQMJSSA-N 2 1 288.410 3.257 20 0 CGADMP Fc1cccc(/C=C\C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000894041259 619356473 /nfs/dbraw/zinc/35/64/73/619356473.db2.gz CZHVVIUJZRVERQ-AATOQMJSSA-N 2 1 288.410 3.257 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924959909 619462435 /nfs/dbraw/zinc/46/24/35/619462435.db2.gz MRKMGGCOSRMSGB-YLFCFFPRSA-N 2 1 262.441 3.051 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2c1NCCC2 ZINC000894287170 619466470 /nfs/dbraw/zinc/46/64/70/619466470.db2.gz BGQVHQPEJRCSEI-UHFFFAOYSA-N 2 1 298.434 3.120 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012874 619490386 /nfs/dbraw/zinc/49/03/86/619490386.db2.gz XPORGJDCMNVHBX-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012874 619490387 /nfs/dbraw/zinc/49/03/87/619490387.db2.gz XPORGJDCMNVHBX-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000261979775 619510084 /nfs/dbraw/zinc/51/00/84/619510084.db2.gz RFXZRRPGRWIPRT-GFCCVEGCSA-N 2 1 286.341 3.185 20 0 CGADMP Cc1ccc(CC[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000894456879 619544066 /nfs/dbraw/zinc/54/40/66/619544066.db2.gz ROGRNHVUHPVDGV-SFHVURJKSA-N 2 1 274.452 3.166 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1nccc2ccccc21 ZINC000894782383 619633692 /nfs/dbraw/zinc/63/36/92/619633692.db2.gz KWLZRGACAQKVLG-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1nccc2ccccc21 ZINC000894782383 619633697 /nfs/dbraw/zinc/63/36/97/619633697.db2.gz KWLZRGACAQKVLG-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1nccc2ccccc21 ZINC000894782383 619633701 /nfs/dbraw/zinc/63/37/01/619633701.db2.gz KWLZRGACAQKVLG-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1nccc2ccccc21 ZINC000894782383 619633702 /nfs/dbraw/zinc/63/37/02/619633702.db2.gz KWLZRGACAQKVLG-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[C@H](C)C1 ZINC000894788101 619636226 /nfs/dbraw/zinc/63/62/26/619636226.db2.gz MEHQVQYIWBCHEE-DGJMWTQJSA-N 2 1 264.457 3.416 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2coc3ccccc23)CC1 ZINC000895669731 619868827 /nfs/dbraw/zinc/86/88/27/619868827.db2.gz AUCYDPFOMCDKIE-UHFFFAOYSA-N 2 1 284.403 3.493 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(C2CCC2)c1 ZINC000925219459 620235268 /nfs/dbraw/zinc/23/52/68/620235268.db2.gz DIISHYHHPSHYAK-YSVLISHTSA-N 2 1 290.455 3.132 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccnn1C1CCC1 ZINC000925219629 620235938 /nfs/dbraw/zinc/23/59/38/620235938.db2.gz FMNHOFRIINLBJN-LZWOXQAQSA-N 2 1 290.455 3.132 20 0 CGADMP CC(C)c1cnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000799178984 620293000 /nfs/dbraw/zinc/29/30/00/620293000.db2.gz WCRWGYRXYXGIHM-UHFFFAOYSA-N 2 1 291.439 3.106 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000799178984 620293004 /nfs/dbraw/zinc/29/30/04/620293004.db2.gz WCRWGYRXYXGIHM-UHFFFAOYSA-N 2 1 291.439 3.106 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCSC(C)(C)C2)CC1(C)C ZINC000897793315 620432163 /nfs/dbraw/zinc/43/21/63/620432163.db2.gz LWGFALQIVYKLFU-STQMWFEESA-N 2 1 270.486 3.123 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+]C2CCCCCCC2)c1 ZINC000841042629 620537109 /nfs/dbraw/zinc/53/71/09/620537109.db2.gz NSQHSQPQGCMWGG-UHFFFAOYSA-N 2 1 275.440 3.264 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688977 620563481 /nfs/dbraw/zinc/56/34/81/620563481.db2.gz VXFOWASZLCCCOO-ZIAGYGMSSA-N 2 1 293.455 3.454 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000924693553 620564665 /nfs/dbraw/zinc/56/46/65/620564665.db2.gz CLNZXLGSOKFKEY-RCCFBDPRSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]CC(C)(C)[N@@H+]3CCC[C@H](C)C3)C2)CO1 ZINC000924750648 620621591 /nfs/dbraw/zinc/62/15/91/620621591.db2.gz HAEAHYJAMRZTPE-LCMLCXGQSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]CC(C)(C)[N@H+]3CCC[C@H](C)C3)C2)CO1 ZINC000924750648 620621593 /nfs/dbraw/zinc/62/15/93/620621593.db2.gz HAEAHYJAMRZTPE-LCMLCXGQSA-N 2 1 294.483 3.044 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000042390317 620830643 /nfs/dbraw/zinc/83/06/43/620830643.db2.gz RZROMSRUZQGASI-MRXNPFEDSA-N 2 1 254.377 3.024 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc2ccccc21 ZINC000042390317 620830646 /nfs/dbraw/zinc/83/06/46/620830646.db2.gz RZROMSRUZQGASI-MRXNPFEDSA-N 2 1 254.377 3.024 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000902198349 621191088 /nfs/dbraw/zinc/19/10/88/621191088.db2.gz CAMHMSWGXZSYMZ-INIZCTEOSA-N 2 1 289.467 3.247 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347761 621259309 /nfs/dbraw/zinc/25/93/09/621259309.db2.gz JXORZSMNWJTEAW-AWEZNQCLSA-N 2 1 296.842 3.216 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000902411031 621296234 /nfs/dbraw/zinc/29/62/34/621296234.db2.gz UZAZIEWBLJUCMY-OCCSQVGLSA-N 2 1 264.800 3.057 20 0 CGADMP COc1ccccc1C1([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902390761 621301786 /nfs/dbraw/zinc/30/17/86/621301786.db2.gz AOJMXVSZMONSGO-AWEZNQCLSA-N 2 1 288.435 3.052 20 0 CGADMP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902429526 621314601 /nfs/dbraw/zinc/31/46/01/621314601.db2.gz MLEVISGPIRDGAA-CYBMUJFWSA-N 2 1 296.842 3.216 20 0 CGADMP COc1cccc(C[C@H]([NH2+]CC2([NH3+])CC2)c2ccccc2)c1 ZINC000902414096 621323554 /nfs/dbraw/zinc/32/35/54/621323554.db2.gz SFHATMSSTDYDNU-SFHVURJKSA-N 2 1 296.414 3.060 20 0 CGADMP Clc1ccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)cc1 ZINC000902466894 621339595 /nfs/dbraw/zinc/33/95/95/621339595.db2.gz OLPAMWXNJPSYCF-BYHHXJKWSA-N 2 1 290.838 3.459 20 0 CGADMP CC(C)C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCOCC1 ZINC000902728781 621413895 /nfs/dbraw/zinc/41/38/95/621413895.db2.gz BMMCVHOFQFDMON-KRWDZBQOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H](C[NH2+][C@H](CC(C)C)C1CCOCC1)[NH+]1CCCC1 ZINC000902741168 621421424 /nfs/dbraw/zinc/42/14/24/621421424.db2.gz NCOISADQYNPLMW-ZWKOTPCHSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902790374 621448528 /nfs/dbraw/zinc/44/85/28/621448528.db2.gz PYODGYCDPSPBLN-NVXWUHKLSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902790374 621448533 /nfs/dbraw/zinc/44/85/33/621448533.db2.gz PYODGYCDPSPBLN-NVXWUHKLSA-N 2 1 284.488 3.148 20 0 CGADMP c1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903057366 621546398 /nfs/dbraw/zinc/54/63/98/621546398.db2.gz GDUZQVVFQHYOGM-KOQQBVACSA-N 2 1 296.458 3.291 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903076652 621558827 /nfs/dbraw/zinc/55/88/27/621558827.db2.gz TXRQEUZDWSNMKD-LVMBCBDASA-N 2 1 250.430 3.168 20 0 CGADMP CO[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000903068306 621566480 /nfs/dbraw/zinc/56/64/80/621566480.db2.gz BNRJAPHTICYKER-MSOLQXFVSA-N 2 1 290.451 3.184 20 0 CGADMP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903166276 621610601 /nfs/dbraw/zinc/61/06/01/621610601.db2.gz AVOFWAVCGZCSFD-AZGATIOISA-N 2 1 262.441 3.170 20 0 CGADMP CCOC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903175798 621612932 /nfs/dbraw/zinc/61/29/32/621612932.db2.gz VUSBKAGLTSGJDV-ZXFUBFMLSA-N 2 1 292.467 3.083 20 0 CGADMP C[C@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903168162 621617874 /nfs/dbraw/zinc/61/78/74/621617874.db2.gz SYRFLAPSBRLPHE-VUZHLFFPSA-N 2 1 262.441 3.170 20 0 CGADMP CC1(C)C(C)(C)C1(C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000903441641 621741447 /nfs/dbraw/zinc/74/14/47/621741447.db2.gz BICZDMOJQVOUOB-OAHLLOKOSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCCC[C@@H]12 ZINC000903430839 621743566 /nfs/dbraw/zinc/74/35/66/621743566.db2.gz DLFDNGFONRIATQ-RBGFHDKUSA-N 2 1 250.430 3.014 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439559 621748391 /nfs/dbraw/zinc/74/83/91/621748391.db2.gz KMKJKLATBLGIKT-BJJXKVORSA-N 2 1 280.843 3.330 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1c1ccccc1 ZINC000903440386 621748832 /nfs/dbraw/zinc/74/88/32/621748832.db2.gz WGBPHBCVMUBNFU-MVJTYMMSSA-N 2 1 272.436 3.239 20 0 CGADMP CC(F)(F)CCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000903453054 621761699 /nfs/dbraw/zinc/76/16/99/621761699.db2.gz XOPOSPYTSXTMRA-UHFFFAOYSA-N 2 1 262.388 3.263 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@H]1[NH3+] ZINC000903450299 621760690 /nfs/dbraw/zinc/76/06/90/621760690.db2.gz SWJQYMLEMXUXHQ-DTZQCDIJSA-N 2 1 294.389 3.095 20 0 CGADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903476116 621764192 /nfs/dbraw/zinc/76/41/92/621764192.db2.gz NVBXDYVKEJFOIW-HUUCEWRRSA-N 2 1 294.389 3.109 20 0 CGADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903476116 621764198 /nfs/dbraw/zinc/76/41/98/621764198.db2.gz NVBXDYVKEJFOIW-HUUCEWRRSA-N 2 1 294.389 3.109 20 0 CGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)co2)cc1 ZINC000903496387 621766547 /nfs/dbraw/zinc/76/65/47/621766547.db2.gz MBINIBKCOGCDBV-GDBMZVCRSA-N 2 1 299.418 3.067 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccccc2F)CCC1 ZINC000903815899 621809791 /nfs/dbraw/zinc/80/97/91/621809791.db2.gz ULLDMYSNTQEDEX-MRXNPFEDSA-N 2 1 276.399 3.309 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cncc(Cl)c2)CCC1 ZINC000903810569 621813245 /nfs/dbraw/zinc/81/32/45/621813245.db2.gz FFVAFVNMFPEIDI-HNNXBMFYSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cncc(Cl)c2)CCC1 ZINC000903810569 621813246 /nfs/dbraw/zinc/81/32/46/621813246.db2.gz FFVAFVNMFPEIDI-HNNXBMFYSA-N 2 1 293.842 3.219 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890289 621824239 /nfs/dbraw/zinc/82/42/39/621824239.db2.gz BETHETGTOITUIO-DKUMPPAJSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000903884897 621826928 /nfs/dbraw/zinc/82/69/28/621826928.db2.gz HVGVXMYUDMQQRW-AAEUAGOBSA-N 2 1 286.366 3.061 20 0 CGADMP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000903884897 621826930 /nfs/dbraw/zinc/82/69/30/621826930.db2.gz HVGVXMYUDMQQRW-AAEUAGOBSA-N 2 1 286.366 3.061 20 0 CGADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC000903902148 621830797 /nfs/dbraw/zinc/83/07/97/621830797.db2.gz DEPQUAXLGZPQST-AKBNIOSXSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)[N@@H+](CC1CCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918341 621833003 /nfs/dbraw/zinc/83/30/03/621833003.db2.gz XCNVPQIEUOSEPZ-MQVJKMGUSA-N 2 1 250.430 3.028 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972690 621843844 /nfs/dbraw/zinc/84/38/44/621843844.db2.gz JZTNMKRNUDWXLJ-HOTGVXAUSA-N 2 1 282.472 3.094 20 0 CGADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904304003 621902309 /nfs/dbraw/zinc/90/23/09/621902309.db2.gz OQXXLEDVDPFJMZ-MRXNPFEDSA-N 2 1 298.377 3.110 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000904318823 621904907 /nfs/dbraw/zinc/90/49/07/621904907.db2.gz XDUSHPXEVLZUEW-DOMZBBRYSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000904318823 621904910 /nfs/dbraw/zinc/90/49/10/621904910.db2.gz XDUSHPXEVLZUEW-DOMZBBRYSA-N 2 1 281.469 3.142 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000904374381 621913873 /nfs/dbraw/zinc/91/38/73/621913873.db2.gz RROOHTFFPBCDEF-HRCADAONSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CC[C@H]1C[NH3+] ZINC000904410484 621919124 /nfs/dbraw/zinc/91/91/24/621919124.db2.gz FXXOVPYCMUMYLO-OCCSQVGLSA-N 2 1 293.480 3.217 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000904450245 621924281 /nfs/dbraw/zinc/92/42/81/621924281.db2.gz PMLZPSCWZOUBCR-UHFFFAOYSA-N 2 1 276.380 3.135 20 0 CGADMP Fc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000149626978 622356825 /nfs/dbraw/zinc/35/68/25/622356825.db2.gz DYCATMNNKBJIIA-OGHNNQOOSA-N 2 1 274.383 3.029 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224195191 622870049 /nfs/dbraw/zinc/87/00/49/622870049.db2.gz UVKKNJGAYRBNFC-SMDDNHRTSA-N 2 1 252.789 3.072 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000057994565 622895532 /nfs/dbraw/zinc/89/55/32/622895532.db2.gz TVQIDORXQGTMHX-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@@H+](CCCN[C@H]1CCc2cccnc21)C1CCCCC1 ZINC000226815260 622999139 /nfs/dbraw/zinc/99/91/39/622999139.db2.gz ROJDAXVJTLQETG-KRWDZBQOSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817977868 625630851 /nfs/dbraw/zinc/63/08/51/625630851.db2.gz QWCRGTBUEJCPGS-GUBZILKMSA-N 2 1 274.380 3.388 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2CF)C1 ZINC000929747145 623549401 /nfs/dbraw/zinc/54/94/01/623549401.db2.gz BDPOUYGEJTYHKG-HNNXBMFYSA-N 2 1 278.415 3.320 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000929747145 623549405 /nfs/dbraw/zinc/54/94/05/623549405.db2.gz BDPOUYGEJTYHKG-HNNXBMFYSA-N 2 1 278.415 3.320 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000324360122 623802738 /nfs/dbraw/zinc/80/27/38/623802738.db2.gz HPXDHITUMPWMMX-HNNXBMFYSA-N 2 1 250.430 3.028 20 0 CGADMP CC1(C)CC([NH2+]Cc2cnn(C3CCC3)c2)CC(C)(C)[NH2+]1 ZINC000921493088 624595643 /nfs/dbraw/zinc/59/56/43/624595643.db2.gz HJRZGVPYZVLSIM-UHFFFAOYSA-N 2 1 290.455 3.007 20 0 CGADMP Cc1cnc(Cl)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000922171537 625978893 /nfs/dbraw/zinc/97/88/93/625978893.db2.gz KUOWXIJFOBPRGN-UHFFFAOYSA-N 2 1 281.831 3.007 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cccc(Oc2ccccn2)c1)[NH+](C)C ZINC000922253884 625990330 /nfs/dbraw/zinc/99/03/30/625990330.db2.gz GOYMRGXDBDNBGN-HNNXBMFYSA-N 2 1 299.418 3.304 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC[NH2+]C1CC1 ZINC000923317773 626144836 /nfs/dbraw/zinc/14/48/36/626144836.db2.gz WDMAYPAJDQINQY-UKRRQHHQSA-N 2 1 276.399 3.146 20 0 CGADMP CCc1csc([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923323219 626145763 /nfs/dbraw/zinc/14/57/63/626145763.db2.gz GNNRBPXVXLBOJP-CYBMUJFWSA-N 2 1 293.480 3.027 20 0 CGADMP CCc1csc([C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923323219 626145765 /nfs/dbraw/zinc/14/57/65/626145765.db2.gz GNNRBPXVXLBOJP-CYBMUJFWSA-N 2 1 293.480 3.027 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366569 626149163 /nfs/dbraw/zinc/14/91/63/626149163.db2.gz NIBPDTWFFINIBZ-QGZVFWFLSA-N 2 1 262.441 3.032 20 0 CGADMP C[C@@H]1CCC(C)(C)[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923420325 626153566 /nfs/dbraw/zinc/15/35/66/626153566.db2.gz HXYQNFRIKNXVGD-FFHGMXDLSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@H](CC[NH3+])C2)cc1C ZINC000923485313 626157486 /nfs/dbraw/zinc/15/74/86/626157486.db2.gz HNXLEIGUSNFMJB-HNNXBMFYSA-N 2 1 278.465 3.066 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493843 626158665 /nfs/dbraw/zinc/15/86/65/626158665.db2.gz IRXYFHWDFNRUPK-YRGRVCCFSA-N 2 1 266.816 3.318 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502316 626158680 /nfs/dbraw/zinc/15/86/80/626158680.db2.gz WIVYFMPJUPAWAJ-YCPHGPKFSA-N 2 1 299.418 3.319 20 0 CGADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000923525358 626160965 /nfs/dbraw/zinc/16/09/65/626160965.db2.gz FVRBBFLPWISQTQ-AVOUXACISA-N 2 1 286.410 3.274 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)C1 ZINC000923526374 626160973 /nfs/dbraw/zinc/16/09/73/626160973.db2.gz PAFNXCRPCUCDFP-SPDDJZBWSA-N 2 1 270.420 3.292 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000753665388 626461523 /nfs/dbraw/zinc/46/15/23/626461523.db2.gz OAHWYMJUARVJOW-JKSUJKDBSA-N 2 1 290.451 3.304 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000755042355 626597568 /nfs/dbraw/zinc/59/75/68/626597568.db2.gz PGMVUQUVPOAQDM-UHFFFAOYSA-N 2 1 266.404 3.382 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCCSC2)C1 ZINC000769011183 627516674 /nfs/dbraw/zinc/51/66/74/627516674.db2.gz CFJUKTFACZVGPG-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCSC2)C1 ZINC000769011183 627516676 /nfs/dbraw/zinc/51/66/76/627516676.db2.gz CFJUKTFACZVGPG-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000769486078 627559231 /nfs/dbraw/zinc/55/92/31/627559231.db2.gz ROGBRJCOPJXJAC-BLLLJJGKSA-N 2 1 264.413 3.059 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000769486078 627559235 /nfs/dbraw/zinc/55/92/35/627559235.db2.gz ROGBRJCOPJXJAC-BLLLJJGKSA-N 2 1 264.413 3.059 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000769486078 627559239 /nfs/dbraw/zinc/55/92/39/627559239.db2.gz ROGBRJCOPJXJAC-BLLLJJGKSA-N 2 1 264.413 3.059 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000769486078 627559242 /nfs/dbraw/zinc/55/92/42/627559242.db2.gz ROGBRJCOPJXJAC-BLLLJJGKSA-N 2 1 264.413 3.059 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000769486676 627559268 /nfs/dbraw/zinc/55/92/68/627559268.db2.gz VGFSZFMDVMZTKE-UKRRQHHQSA-N 2 1 295.858 3.206 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000769486676 627559270 /nfs/dbraw/zinc/55/92/70/627559270.db2.gz VGFSZFMDVMZTKE-UKRRQHHQSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000769486676 627559273 /nfs/dbraw/zinc/55/92/73/627559273.db2.gz VGFSZFMDVMZTKE-UKRRQHHQSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000769486676 627559276 /nfs/dbraw/zinc/55/92/76/627559276.db2.gz VGFSZFMDVMZTKE-UKRRQHHQSA-N 2 1 295.858 3.206 20 0 CGADMP C[C@@H]([NH2+]C1CC(C(F)F)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000769550714 627564926 /nfs/dbraw/zinc/56/49/26/627564926.db2.gz DPJVSYCSGBVELD-KBHBFKLGSA-N 2 1 286.410 3.273 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000780302016 628479996 /nfs/dbraw/zinc/47/99/96/628479996.db2.gz NBPSOVCDBHFBJT-IEZWGBDMSA-N 2 1 286.463 3.379 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000780302016 628480000 /nfs/dbraw/zinc/48/00/00/628480000.db2.gz NBPSOVCDBHFBJT-IEZWGBDMSA-N 2 1 286.463 3.379 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000780302016 628480004 /nfs/dbraw/zinc/48/00/04/628480004.db2.gz NBPSOVCDBHFBJT-IEZWGBDMSA-N 2 1 286.463 3.379 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299375 628480533 /nfs/dbraw/zinc/48/05/33/628480533.db2.gz RVWVTTWEZHDNMA-YQVWRLOYSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299375 628480535 /nfs/dbraw/zinc/48/05/35/628480535.db2.gz RVWVTTWEZHDNMA-YQVWRLOYSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299375 628480536 /nfs/dbraw/zinc/48/05/36/628480536.db2.gz RVWVTTWEZHDNMA-YQVWRLOYSA-N 2 1 284.447 3.133 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000782155895 628618580 /nfs/dbraw/zinc/61/85/80/628618580.db2.gz XJWZVEFWDWWOPO-ULJSMLAOSA-N 2 1 288.479 3.419 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000782155896 628618728 /nfs/dbraw/zinc/61/87/28/628618728.db2.gz XJWZVEFWDWWOPO-WTFUZHRASA-N 2 1 288.479 3.419 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CC1CC[NH+](C)CC1)CCC2 ZINC000782182951 628621295 /nfs/dbraw/zinc/62/12/95/628621295.db2.gz HCLNOUSQOKIITP-HNNXBMFYSA-N 2 1 293.480 3.103 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)cn1 ZINC000785423505 628861000 /nfs/dbraw/zinc/86/10/00/628861000.db2.gz LKEORQNYNINTID-WFASDCNBSA-N 2 1 284.407 3.100 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)cc1 ZINC000788471044 629056880 /nfs/dbraw/zinc/05/68/80/629056880.db2.gz ROCBLCMCIJWGDR-GOSISDBHSA-N 2 1 288.435 3.174 20 0 CGADMP c1ccc([C@@H]2C[C@H]3C[N@H+](CCC4CC[NH2+]CC4)C[C@H]32)cc1 ZINC000863557437 629605619 /nfs/dbraw/zinc/60/56/19/629605619.db2.gz NVJCSLRPAFPTBT-GBESFXJTSA-N 2 1 284.447 3.112 20 0 CGADMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1C(C)(C)C ZINC000865404863 630106253 /nfs/dbraw/zinc/10/62/53/630106253.db2.gz UXNNAXGJGGNRGW-UHFFFAOYSA-N 2 1 290.451 3.177 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)o1 ZINC000798956665 630128181 /nfs/dbraw/zinc/12/81/81/630128181.db2.gz JFIMYJBRKRSDNP-UHFFFAOYSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798957218 630128434 /nfs/dbraw/zinc/12/84/34/630128434.db2.gz OTDXBOUFOYYYEN-UHFFFAOYSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000865476149 630141533 /nfs/dbraw/zinc/14/15/33/630141533.db2.gz UQTDRJMDTDGKKK-FZMZJTMJSA-N 2 1 266.816 3.221 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000865589470 630205403 /nfs/dbraw/zinc/20/54/03/630205403.db2.gz LAVUNZBJOUASBO-GOOCMWNKSA-N 2 1 278.827 3.363 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]cc3C(F)(F)F)CC[C@@H]21 ZINC000865617492 630224600 /nfs/dbraw/zinc/22/46/00/630224600.db2.gz PSIGLFPUVYWMIG-AAEUAGOBSA-N 2 1 299.340 3.021 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]cc3C(F)(F)F)CC[C@H]21 ZINC000865617619 630225138 /nfs/dbraw/zinc/22/51/38/630225138.db2.gz PSIGLFPUVYWMIG-WCQYABFASA-N 2 1 299.340 3.021 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933202 630369783 /nfs/dbraw/zinc/36/97/83/630369783.db2.gz KSGBEOKFHSGCSL-KGLIPLIRSA-N 2 1 272.502 3.180 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933202 630369786 /nfs/dbraw/zinc/36/97/86/630369786.db2.gz KSGBEOKFHSGCSL-KGLIPLIRSA-N 2 1 272.502 3.180 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933202 630369788 /nfs/dbraw/zinc/36/97/88/630369788.db2.gz KSGBEOKFHSGCSL-KGLIPLIRSA-N 2 1 272.502 3.180 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCSC(C)(C)C)CC[N@H+]1C ZINC000878162117 635387378 /nfs/dbraw/zinc/38/73/78/635387378.db2.gz AWDFPZWJTIUSJC-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCSC(C)(C)C)CC[NH+]1C ZINC000878162117 635387384 /nfs/dbraw/zinc/38/73/84/635387384.db2.gz AWDFPZWJTIUSJC-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCSC(C)(C)C)CC[NH+]1C ZINC000878162117 635387388 /nfs/dbraw/zinc/38/73/88/635387388.db2.gz AWDFPZWJTIUSJC-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP COc1ccc2c(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000811811371 631122654 /nfs/dbraw/zinc/12/26/54/631122654.db2.gz AREXSIBFECJTLC-STQMWFEESA-N 2 1 297.402 3.281 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cncc4ccccc43)C2)C1 ZINC000815147195 631729242 /nfs/dbraw/zinc/72/92/42/631729242.db2.gz ZFPUVBJEGZLOEU-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cncc4ccccc43)C2)C1 ZINC000815147195 631729245 /nfs/dbraw/zinc/72/92/45/631729245.db2.gz ZFPUVBJEGZLOEU-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cncc4ccccc43)C2)C1 ZINC000815147195 631729249 /nfs/dbraw/zinc/72/92/49/631729249.db2.gz ZFPUVBJEGZLOEU-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC000816648551 632035233 /nfs/dbraw/zinc/03/52/33/632035233.db2.gz MAQGKZURLWNCMY-HZPDHXFCSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC000816648551 632035237 /nfs/dbraw/zinc/03/52/37/632035237.db2.gz MAQGKZURLWNCMY-HZPDHXFCSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000816648551 632035244 /nfs/dbraw/zinc/03/52/44/632035244.db2.gz MAQGKZURLWNCMY-HZPDHXFCSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000816648551 632035252 /nfs/dbraw/zinc/03/52/52/632035252.db2.gz MAQGKZURLWNCMY-HZPDHXFCSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC000817892353 632229998 /nfs/dbraw/zinc/22/99/98/632229998.db2.gz TZSPQSXDMIVYJV-OCCSQVGLSA-N 2 1 281.831 3.135 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817957342 632252033 /nfs/dbraw/zinc/25/20/33/632252033.db2.gz BBPKKPCTAJPJND-PELKAZGASA-N 2 1 290.238 3.210 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)nc1 ZINC000817958717 632253928 /nfs/dbraw/zinc/25/39/28/632253928.db2.gz MAQUJJCEUDVAFL-BXUZGUMPSA-N 2 1 281.831 3.293 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000817961737 632257558 /nfs/dbraw/zinc/25/75/58/632257558.db2.gz BHYVVBHSUAUKKQ-UKRRQHHQSA-N 2 1 264.413 3.253 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000817979893 632269744 /nfs/dbraw/zinc/26/97/44/632269744.db2.gz PZKXCHVIFLGAQK-CMPLNLGQSA-N 2 1 270.804 3.045 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cnn1-c1ccccc1 ZINC000818618166 632342292 /nfs/dbraw/zinc/34/22/92/632342292.db2.gz NRWGERHEPQPPLP-MORSLUCNSA-N 2 1 298.434 3.101 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000865850873 632916866 /nfs/dbraw/zinc/91/68/66/632916866.db2.gz BRXIEAWLFYCSTI-JSGCOSHPSA-N 2 1 287.407 3.351 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000865850873 632916875 /nfs/dbraw/zinc/91/68/75/632916875.db2.gz BRXIEAWLFYCSTI-JSGCOSHPSA-N 2 1 287.407 3.351 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000866214340 633031979 /nfs/dbraw/zinc/03/19/79/633031979.db2.gz NGADHAKFRYQZIC-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccccn1 ZINC000866237437 633039291 /nfs/dbraw/zinc/03/92/91/633039291.db2.gz COTPDMBVUJUROJ-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866562600 633193382 /nfs/dbraw/zinc/19/33/82/633193382.db2.gz UEJDTDFWJUDAOD-MAUKXSAKSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866562600 633193386 /nfs/dbraw/zinc/19/33/86/633193386.db2.gz UEJDTDFWJUDAOD-MAUKXSAKSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000866702345 633234802 /nfs/dbraw/zinc/23/48/02/633234802.db2.gz AQMMSICUPQGNEL-MRXNPFEDSA-N 2 1 264.388 3.023 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000872022101 633942283 /nfs/dbraw/zinc/94/22/83/633942283.db2.gz TWJKEPNHDQCKIN-NEPJUHHUSA-N 2 1 278.362 3.181 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000872022819 633943960 /nfs/dbraw/zinc/94/39/60/633943960.db2.gz LOUSQVGTSFESSW-FRRDWIJNSA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000872022819 633943963 /nfs/dbraw/zinc/94/39/63/633943963.db2.gz LOUSQVGTSFESSW-FRRDWIJNSA-N 2 1 278.362 3.324 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000872024218 633944394 /nfs/dbraw/zinc/94/43/94/633944394.db2.gz YUDVFIMMLIRDHM-IKGGRYGDSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000872024218 633944400 /nfs/dbraw/zinc/94/44/00/633944400.db2.gz YUDVFIMMLIRDHM-IKGGRYGDSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)CC ZINC000872025642 633945825 /nfs/dbraw/zinc/94/58/25/633945825.db2.gz QRLQZIBSRWXGBV-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H](CC1CCCCC1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000872026325 633946188 /nfs/dbraw/zinc/94/61/88/633946188.db2.gz CSCISEKUPHXKGK-KRWDZBQOSA-N 2 1 296.499 3.172 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000846218059 636161452 /nfs/dbraw/zinc/16/14/52/636161452.db2.gz RTTVARFWACUSRU-ZDUSSCGKSA-N 2 1 252.427 3.404 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2cscn2)C1)C1CCCC1 ZINC000872156393 634066720 /nfs/dbraw/zinc/06/67/20/634066720.db2.gz IWOVIFOOVOQLPW-CJNGLKHVSA-N 2 1 293.480 3.263 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2cscn2)C1)C1CCCC1 ZINC000872156393 634066725 /nfs/dbraw/zinc/06/67/25/634066725.db2.gz IWOVIFOOVOQLPW-CJNGLKHVSA-N 2 1 293.480 3.263 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000872156443 634067349 /nfs/dbraw/zinc/06/73/49/634067349.db2.gz JWOVSJOAQUOYKU-GOEBONIOSA-N 2 1 250.430 3.016 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000872156444 634067068 /nfs/dbraw/zinc/06/70/68/634067068.db2.gz JWOVSJOAQUOYKU-HOCLYGCPSA-N 2 1 250.430 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872157720 634067493 /nfs/dbraw/zinc/06/74/93/634067493.db2.gz PWYLTJVQDSCQCI-PBHICJAKSA-N 2 1 291.439 3.103 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2cscn2)C1)C1CCCC1 ZINC000872156395 634067933 /nfs/dbraw/zinc/06/79/33/634067933.db2.gz IWOVIFOOVOQLPW-XJKSGUPXSA-N 2 1 293.480 3.263 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2cscn2)C1)C1CCCC1 ZINC000872156395 634067937 /nfs/dbraw/zinc/06/79/37/634067937.db2.gz IWOVIFOOVOQLPW-XJKSGUPXSA-N 2 1 293.480 3.263 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872157721 634068249 /nfs/dbraw/zinc/06/82/49/634068249.db2.gz PWYLTJVQDSCQCI-RHSMWYFYSA-N 2 1 291.439 3.103 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000834523210 634175503 /nfs/dbraw/zinc/17/55/03/634175503.db2.gz QKRAVLLANYBSJF-CYBMUJFWSA-N 2 1 286.423 3.490 20 0 CGADMP c1c(C[N@H+]2CCC[C@@H]2c2ccccn2)sc2c1C[NH2+]CC2 ZINC000873202910 634284338 /nfs/dbraw/zinc/28/43/38/634284338.db2.gz HZTXBEFJQTUGBE-MRXNPFEDSA-N 2 1 299.443 3.126 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000873223725 634291125 /nfs/dbraw/zinc/29/11/25/634291125.db2.gz RPOYCPARCMKLTP-IBGZPJMESA-N 2 1 297.446 3.432 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2cncs2)C1)C1CCCC1 ZINC000873232459 634294620 /nfs/dbraw/zinc/29/46/20/634294620.db2.gz QEEREOZHSBTEFI-CZUORRHYSA-N 2 1 293.480 3.263 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1 ZINC000019912871 634376570 /nfs/dbraw/zinc/37/65/70/634376570.db2.gz RBAVJFDTNYFQRX-AWEZNQCLSA-N 2 1 264.388 3.180 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1 ZINC000019912871 634376573 /nfs/dbraw/zinc/37/65/73/634376573.db2.gz RBAVJFDTNYFQRX-AWEZNQCLSA-N 2 1 264.388 3.180 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000877521909 635070837 /nfs/dbraw/zinc/07/08/37/635070837.db2.gz FPDNDDFPXCAKBU-UHFFFAOYSA-N 2 1 297.855 3.333 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000877521909 635070843 /nfs/dbraw/zinc/07/08/43/635070843.db2.gz FPDNDDFPXCAKBU-UHFFFAOYSA-N 2 1 297.855 3.333 20 0 CGADMP CCCCCC[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841086983 635119645 /nfs/dbraw/zinc/11/96/45/635119645.db2.gz GWLPQIFMZOQYCC-AOCRQIFASA-N 2 1 295.515 3.151 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CC1(F)F ZINC000877733249 635166917 /nfs/dbraw/zinc/16/69/17/635166917.db2.gz PPLHNSABKVLMON-NWANDNLSSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CC1(F)F ZINC000877733249 635166921 /nfs/dbraw/zinc/16/69/21/635166921.db2.gz PPLHNSABKVLMON-NWANDNLSSA-N 2 1 286.410 3.417 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000878126657 635369233 /nfs/dbraw/zinc/36/92/33/635369233.db2.gz WPSVKPNJDPVOFL-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC[C@@H]1CCCC1(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000878126657 635369237 /nfs/dbraw/zinc/36/92/37/635369237.db2.gz WPSVKPNJDPVOFL-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC[C@@H]1CCCC1(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878126657 635369245 /nfs/dbraw/zinc/36/92/45/635369245.db2.gz WPSVKPNJDPVOFL-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCCCCC[NH3+] ZINC000842472342 635377396 /nfs/dbraw/zinc/37/73/96/635377396.db2.gz WZTBMTSIFXCBAV-FUHWJXTLSA-N 2 1 290.451 3.358 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCSC(C)(C)C)CC[N@@H+]1C ZINC000878162117 635387371 /nfs/dbraw/zinc/38/73/71/635387371.db2.gz AWDFPZWJTIUSJC-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC1CC1 ZINC000878511184 635537958 /nfs/dbraw/zinc/53/79/58/635537958.db2.gz BFFANYXJUGMFQU-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC1CC1 ZINC000878511184 635537973 /nfs/dbraw/zinc/53/79/73/635537973.db2.gz BFFANYXJUGMFQU-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CCC([NH3+])CC1 ZINC000843054868 635551341 /nfs/dbraw/zinc/55/13/41/635551341.db2.gz LPGOBDIJTGVZSY-UHFFFAOYSA-N 2 1 288.435 3.102 20 0 CGADMP COc1ccc2oc(C[N@@H+](C)C3CCC([NH3+])CC3)cc2c1 ZINC000843054893 635551785 /nfs/dbraw/zinc/55/17/85/635551785.db2.gz MKXVPQFNDDTPMC-UHFFFAOYSA-N 2 1 288.391 3.143 20 0 CGADMP C(C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC000880203657 635936601 /nfs/dbraw/zinc/93/66/01/635936601.db2.gz LRRJAEYOAPQNKZ-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP C(C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CCCCC1 ZINC000880203657 635936604 /nfs/dbraw/zinc/93/66/04/635936604.db2.gz LRRJAEYOAPQNKZ-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000880474211 636007886 /nfs/dbraw/zinc/00/78/86/636007886.db2.gz UNDKGVIEMAWUNP-INIZCTEOSA-N 2 1 292.467 3.038 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000846221766 636163195 /nfs/dbraw/zinc/16/31/95/636163195.db2.gz NSROOWOKPBYBEI-GOSISDBHSA-N 3 1 295.515 3.094 20 0 CGADMP Cc1ccc(C2=CC[N@H+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000846761528 636231898 /nfs/dbraw/zinc/23/18/98/636231898.db2.gz CACAXZFTFOILMG-UHFFFAOYSA-N 2 1 295.430 3.450 20 0 CGADMP Cc1ccc(C2=CC[N@@H+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000846761528 636231902 /nfs/dbraw/zinc/23/19/02/636231902.db2.gz CACAXZFTFOILMG-UHFFFAOYSA-N 2 1 295.430 3.450 20 0 CGADMP CC1([NH+]2CCC2)CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000882964520 636481550 /nfs/dbraw/zinc/48/15/50/636481550.db2.gz GVEARUXCQNREQK-UHFFFAOYSA-N 2 1 299.393 3.439 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883186527 636571925 /nfs/dbraw/zinc/57/19/25/636571925.db2.gz UKCPTQKWSTYEBO-ZFWWWQNUSA-N 2 1 261.413 3.140 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1sccc1Cl ZINC000883217102 636591822 /nfs/dbraw/zinc/59/18/22/636591822.db2.gz BSBWSOHWIIVDIQ-GFCCVEGCSA-N 2 1 283.828 3.418 20 0 CGADMP FC1(F)CCC[C@@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883274818 636646361 /nfs/dbraw/zinc/64/63/61/636646361.db2.gz VSGJFEIZTWKDKQ-GFCCVEGCSA-N 2 1 272.383 3.028 20 0 CGADMP CC(C)c1ccccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000848881072 636670586 /nfs/dbraw/zinc/67/05/86/636670586.db2.gz KHHLVHMLANDYBU-UHFFFAOYSA-N 2 1 260.425 3.336 20 0 CGADMP C[C@@H]1CC[C@H]1Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883346821 636690453 /nfs/dbraw/zinc/69/04/53/636690453.db2.gz HETWIFXLZRIPTJ-FHLIZLRMSA-N 2 1 285.435 3.181 20 0 CGADMP CSCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000131606570 636698654 /nfs/dbraw/zinc/69/86/54/636698654.db2.gz HJAPAUZGKWWSOE-OAHLLOKOSA-N 2 1 292.492 3.382 20 0 CGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041869 636729228 /nfs/dbraw/zinc/72/92/28/636729228.db2.gz YORXDIGZHFPEDC-JKSUJKDBSA-N 2 1 296.503 3.047 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883441320 636758552 /nfs/dbraw/zinc/75/85/52/636758552.db2.gz LPQFSGRJAMQOSP-ZWKOTPCHSA-N 2 1 290.451 3.358 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883441318 636758603 /nfs/dbraw/zinc/75/86/03/636758603.db2.gz LPQFSGRJAMQOSP-QZTJIDSGSA-N 2 1 290.451 3.358 20 0 CGADMP c1ccc([C@H]2CSCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000883461138 636761566 /nfs/dbraw/zinc/76/15/66/636761566.db2.gz OMKXROJDVFKJJY-DOTOQJQBSA-N 2 1 290.476 3.166 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000086333585 636781768 /nfs/dbraw/zinc/78/17/68/636781768.db2.gz XRAJENFMRNEPHA-NSHDSACASA-N 2 1 258.818 3.105 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cs1 ZINC000086333585 636781782 /nfs/dbraw/zinc/78/17/82/636781782.db2.gz XRAJENFMRNEPHA-NSHDSACASA-N 2 1 258.818 3.105 20 0 CGADMP CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850421465 637055205 /nfs/dbraw/zinc/05/52/05/637055205.db2.gz VXWUSLBHFJREOI-YOEHRIQHSA-N 2 1 288.435 3.147 20 0 CGADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850421465 637055208 /nfs/dbraw/zinc/05/52/08/637055208.db2.gz VXWUSLBHFJREOI-YOEHRIQHSA-N 2 1 288.435 3.147 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850424350 637057144 /nfs/dbraw/zinc/05/71/44/637057144.db2.gz JFOUERRDDYFQCH-CABCVRRESA-N 2 1 288.435 3.004 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886025608 637371487 /nfs/dbraw/zinc/37/14/87/637371487.db2.gz IGTLXSZXUPOHEW-OIISXLGYSA-N 2 1 264.457 3.086 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCOC2(CCCCC2)C1)C1CC1 ZINC000886138642 637431582 /nfs/dbraw/zinc/43/15/82/637431582.db2.gz QCKRICJCMVQZJK-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP ClC(Cl)=CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000851860228 637525912 /nfs/dbraw/zinc/52/59/12/637525912.db2.gz HWYXJJOZAKCJGJ-YPMHNXCESA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000851860228 637525918 /nfs/dbraw/zinc/52/59/18/637525918.db2.gz HWYXJJOZAKCJGJ-YPMHNXCESA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000851860228 637525921 /nfs/dbraw/zinc/52/59/21/637525921.db2.gz HWYXJJOZAKCJGJ-YPMHNXCESA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000851860228 637525946 /nfs/dbraw/zinc/52/59/46/637525946.db2.gz HWYXJJOZAKCJGJ-YPMHNXCESA-N 2 1 289.250 3.254 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@H]2CCC[C@@H]21 ZINC000886658340 637635423 /nfs/dbraw/zinc/63/54/23/637635423.db2.gz YEDQDOKWJUNIDF-XBFCOCLRSA-N 2 1 284.856 3.364 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@H]2CCC[C@@H]21 ZINC000886658340 637635428 /nfs/dbraw/zinc/63/54/28/637635428.db2.gz YEDQDOKWJUNIDF-XBFCOCLRSA-N 2 1 284.856 3.364 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CC3=CCCC3)CC2)[nH+]c1C ZINC000886659691 637637046 /nfs/dbraw/zinc/63/70/46/637637046.db2.gz SVEQEFPIPDQAOV-UHFFFAOYSA-N 2 1 259.397 3.316 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000852744216 637703669 /nfs/dbraw/zinc/70/36/69/637703669.db2.gz VOZFNQLWARTJEA-OAHLLOKOSA-N 2 1 260.425 3.155 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])cc1F ZINC000852755807 637706340 /nfs/dbraw/zinc/70/63/40/637706340.db2.gz FZZZOFYKIOSIOZ-MRXNPFEDSA-N 2 1 294.414 3.490 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)[C@@H]1CCC[NH3+] ZINC000852759462 637707752 /nfs/dbraw/zinc/70/77/52/637707752.db2.gz PMIRRPYSALUQIC-RHSMWYFYSA-N 2 1 294.414 3.044 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886841659 637714502 /nfs/dbraw/zinc/71/45/02/637714502.db2.gz RNASJQKUZCSANI-YJBOKZPZSA-N 2 1 294.483 3.033 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000887134754 637755867 /nfs/dbraw/zinc/75/58/67/637755867.db2.gz PRARKXVZDWMCHV-KGLIPLIRSA-N 2 1 295.377 3.028 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)[NH+]1CCCC1 ZINC000221975058 637771162 /nfs/dbraw/zinc/77/11/62/637771162.db2.gz RVHQNKCHCRIZKS-MAUKXSAKSA-N 2 1 292.442 3.467 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000222007625 637772335 /nfs/dbraw/zinc/77/23/35/637772335.db2.gz PXKCSSDGTKWMOY-UHFFFAOYSA-N 2 1 290.451 3.220 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000222007625 637772342 /nfs/dbraw/zinc/77/23/42/637772342.db2.gz PXKCSSDGTKWMOY-UHFFFAOYSA-N 2 1 290.451 3.220 20 0 CGADMP CCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924534415 638353705 /nfs/dbraw/zinc/35/37/05/638353705.db2.gz GBOGOMSSVHZJTH-MGNMYUMUSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(C2CCC2)c1 ZINC000924577183 638365805 /nfs/dbraw/zinc/36/58/05/638365805.db2.gz DODDPCXGSSPKKW-OAHLLOKOSA-N 2 1 290.455 3.135 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)[NH+](C)C ZINC000924631781 638380392 /nfs/dbraw/zinc/38/03/92/638380392.db2.gz JASWWHWBVPUEIR-BZSNNMDCSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H]1CC2(CC([NH2+]CCCC[N@H+]3CCC[C@H](C)C3)C2)CO1 ZINC000924683531 638388113 /nfs/dbraw/zinc/38/81/13/638388113.db2.gz AFKWRQGSOHZYLQ-VYMRPNJYSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000924738619 638396463 /nfs/dbraw/zinc/39/64/63/638396463.db2.gz NDGNQMYFNUPGGV-JFIYKMOQSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000924749019 638398524 /nfs/dbraw/zinc/39/85/24/638398524.db2.gz DQOJYEKFWLPWMM-QKPAOTATSA-N 2 1 296.499 3.004 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000924749019 638398530 /nfs/dbraw/zinc/39/85/30/638398530.db2.gz DQOJYEKFWLPWMM-QKPAOTATSA-N 2 1 296.499 3.004 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)(C)CO)c1 ZINC000924827300 638410395 /nfs/dbraw/zinc/41/03/95/638410395.db2.gz BOXDRNMQLFMYDR-OAHLLOKOSA-N 2 1 292.467 3.023 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC2(C1)CCCC2 ZINC000924952674 638429024 /nfs/dbraw/zinc/42/90/24/638429024.db2.gz NYZYPIICNJBSRL-CYBMUJFWSA-N 2 1 261.413 3.140 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1cccs1 ZINC000925499567 638511604 /nfs/dbraw/zinc/51/16/04/638511604.db2.gz QYTOFQVPLRJOBS-ZDUSSCGKSA-N 2 1 278.465 3.290 20 0 CGADMP Cc1ccsc1CCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925629562 638548541 /nfs/dbraw/zinc/54/85/41/638548541.db2.gz KAADVIDSLJHRAD-CZUORRHYSA-N 2 1 274.433 3.277 20 0 CGADMP Cc1ccsc1CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925629562 638548546 /nfs/dbraw/zinc/54/85/46/638548546.db2.gz KAADVIDSLJHRAD-CZUORRHYSA-N 2 1 274.433 3.277 20 0 CGADMP COCC(C)(C)CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925676085 638566117 /nfs/dbraw/zinc/56/61/17/638566117.db2.gz YMETVQWYSAGOGH-GDBMZVCRSA-N 2 1 278.440 3.117 20 0 CGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000925824738 638623037 /nfs/dbraw/zinc/62/30/37/638623037.db2.gz VBOIMSZHKYNWHG-SAGYGOJTSA-N 2 1 293.499 3.033 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC1(C)C ZINC000858184112 638652577 /nfs/dbraw/zinc/65/25/77/638652577.db2.gz HOCSYHJYBNERSD-IACUBPJLSA-N 2 1 276.827 3.154 20 0 CGADMP Cn1c[nH+]c2cc(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000926095404 638702071 /nfs/dbraw/zinc/70/20/71/638702071.db2.gz MEWWVIKVVUZOGF-RHSMWYFYSA-N 2 1 284.407 3.002 20 0 CGADMP Cn1c[nH+]c2cc(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc21 ZINC000926095404 638702075 /nfs/dbraw/zinc/70/20/75/638702075.db2.gz MEWWVIKVVUZOGF-RHSMWYFYSA-N 2 1 284.407 3.002 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C[NH+](C)C)c1 ZINC000926534169 638782150 /nfs/dbraw/zinc/78/21/50/638782150.db2.gz XMHHUZDGJUNXHG-JKIFEVAISA-N 2 1 298.434 3.301 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000926645337 638794434 /nfs/dbraw/zinc/79/44/34/638794434.db2.gz OOPXDSYBMQKGOO-GOSISDBHSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000926645337 638794436 /nfs/dbraw/zinc/79/44/36/638794436.db2.gz OOPXDSYBMQKGOO-GOSISDBHSA-N 2 1 289.467 3.490 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](CN(C)C)OCC)c1ccsc1 ZINC000926963861 638829368 /nfs/dbraw/zinc/82/93/68/638829368.db2.gz VLPHPMXGIANLNK-HUUCEWRRSA-N 2 1 284.469 3.146 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000927100190 638841846 /nfs/dbraw/zinc/84/18/46/638841846.db2.gz HRBZLXLYEBBIRM-VGWMRTNUSA-N 2 1 294.483 3.043 20 0 CGADMP COC/C(C)=C\C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000929421886 638924460 /nfs/dbraw/zinc/92/44/60/638924460.db2.gz NWUVCGSNZNFBHI-ZKLMEHKCSA-N 2 1 294.483 3.023 20 0 CGADMP COC/C(C)=C\C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000929421886 638924463 /nfs/dbraw/zinc/92/44/63/638924463.db2.gz NWUVCGSNZNFBHI-ZKLMEHKCSA-N 2 1 294.483 3.023 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2C)C[C@H]1C ZINC000929779108 638950526 /nfs/dbraw/zinc/95/05/26/638950526.db2.gz DMOPAIVAACOLEF-PBHICJAKSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2C)C[C@H]1C ZINC000929779108 638950528 /nfs/dbraw/zinc/95/05/28/638950528.db2.gz DMOPAIVAACOLEF-PBHICJAKSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2C)C[C@H]1C ZINC000929779108 638950530 /nfs/dbraw/zinc/95/05/30/638950530.db2.gz DMOPAIVAACOLEF-PBHICJAKSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2CF)C[C@H]1C ZINC000929783217 638951002 /nfs/dbraw/zinc/95/10/02/638951002.db2.gz ZDGDVTKWCCJMLV-RHSMWYFYSA-N 2 1 278.415 3.461 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2CF)C[C@H]1C ZINC000929783217 638951003 /nfs/dbraw/zinc/95/10/03/638951003.db2.gz ZDGDVTKWCCJMLV-RHSMWYFYSA-N 2 1 278.415 3.461 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2CF)C[C@H]1C ZINC000929783217 638951004 /nfs/dbraw/zinc/95/10/04/638951004.db2.gz ZDGDVTKWCCJMLV-RHSMWYFYSA-N 2 1 278.415 3.461 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2CF)[C@@H](C)C1 ZINC000930001450 638967292 /nfs/dbraw/zinc/96/72/92/638967292.db2.gz VDNVOBYICUKWLI-YOEHRIQHSA-N 2 1 278.415 3.318 20 0 CGADMP CC(C)OC1CC([N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000859212930 639110945 /nfs/dbraw/zinc/11/09/45/639110945.db2.gz PDRWVUCWNDEFHQ-UHFFFAOYSA-N 2 1 290.451 3.136 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCSC(C)(C)C)C[C@]2(C)C1 ZINC000931316538 639132771 /nfs/dbraw/zinc/13/27/71/639132771.db2.gz JAMVOSLEEJOTQK-IYBDPMFKSA-N 2 1 284.513 3.182 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CCCSC(C)(C)C)C[C@]2(C)C1 ZINC000931316538 639132775 /nfs/dbraw/zinc/13/27/75/639132775.db2.gz JAMVOSLEEJOTQK-IYBDPMFKSA-N 2 1 284.513 3.182 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CCCSC(C)(C)C)C[C@]2(C)C1 ZINC000931316538 639132780 /nfs/dbraw/zinc/13/27/80/639132780.db2.gz JAMVOSLEEJOTQK-IYBDPMFKSA-N 2 1 284.513 3.182 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCSC(C)(C)C)C[C@]2(C)C1 ZINC000931316538 639132785 /nfs/dbraw/zinc/13/27/85/639132785.db2.gz JAMVOSLEEJOTQK-IYBDPMFKSA-N 2 1 284.513 3.182 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CCc3ccc(Cl)cc3)C[C@@]2(C)C1 ZINC000931316511 639133575 /nfs/dbraw/zinc/13/35/75/639133575.db2.gz IODPPWCFILJYSU-IAGOWNOFSA-N 2 1 292.854 3.156 20 0 CGADMP Cc1nccn1CCC[N@H+]1CCSC[C@H]1C(C)(C)C ZINC000931596260 639177886 /nfs/dbraw/zinc/17/78/86/639177886.db2.gz JDECFJPXJNYNLF-AWEZNQCLSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC000931596260 639177891 /nfs/dbraw/zinc/17/78/91/639177891.db2.gz JDECFJPXJNYNLF-AWEZNQCLSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@H]1C(C)(C)C ZINC000931596260 639177896 /nfs/dbraw/zinc/17/78/96/639177896.db2.gz JDECFJPXJNYNLF-AWEZNQCLSA-N 2 1 281.469 3.045 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CC[C@@H](OC)C1 ZINC000859996354 639264518 /nfs/dbraw/zinc/26/45/18/639264518.db2.gz ATHKAEXNIKGMJW-QZTJIDSGSA-N 2 1 290.451 3.138 20 0 CGADMP CC(C)Oc1cc[nH+]c(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001156389718 805683205 /nfs/dbraw/zinc/68/32/05/805683205.db2.gz QSOJTOLSRNRYSF-CQSZACIVSA-N 2 1 277.412 3.013 20 0 CGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC001253206061 806183135 /nfs/dbraw/zinc/18/31/35/806183135.db2.gz KHILMARFKQGRTE-QZTJIDSGSA-N 2 1 292.467 3.066 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cccc(C)c1 ZINC001253411559 806216871 /nfs/dbraw/zinc/21/68/71/806216871.db2.gz OXKOLUROTXOADJ-DLBZAZTESA-N 2 1 292.467 3.175 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC001254434128 806396203 /nfs/dbraw/zinc/39/62/03/806396203.db2.gz JPWLUSJRQWIKOE-GJZGRUSLSA-N 2 1 250.430 3.172 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C2CCC3(CC3)CC2)CC1 ZINC001254448425 806403912 /nfs/dbraw/zinc/40/39/12/806403912.db2.gz WRYTVIMXIYQLJG-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C2CCC3(CC3)CC2)CC1 ZINC001254448425 806403916 /nfs/dbraw/zinc/40/39/16/806403916.db2.gz WRYTVIMXIYQLJG-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc3ccccc3s2)CC1 ZINC001254500839 806420783 /nfs/dbraw/zinc/42/07/83/806420783.db2.gz MBIACMKZHFIRRS-CQSZACIVSA-N 2 1 274.433 3.475 20 0 CGADMP Cc1c(CC[NH3+])c2ccccc2n1[C@H]1CCC[N@H+](C)CC1 ZINC001254499371 806421170 /nfs/dbraw/zinc/42/11/70/806421170.db2.gz FQMGBHBRNACAQU-HNNXBMFYSA-N 2 1 285.435 3.108 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001254504322 806422819 /nfs/dbraw/zinc/42/28/19/806422819.db2.gz TYVQKLPSFKRQFE-INIZCTEOSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001254506698 806426921 /nfs/dbraw/zinc/42/69/21/806426921.db2.gz XPMQAFRKXKHELV-HRCADAONSA-N 2 1 278.827 3.270 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCC2CCC(F)(F)CC2)CC1 ZINC001254508597 806427792 /nfs/dbraw/zinc/42/77/92/806427792.db2.gz KHYYMVNFPZZSFF-CQSZACIVSA-N 2 1 274.399 3.276 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CC1 ZINC001254512857 806432486 /nfs/dbraw/zinc/43/24/86/806432486.db2.gz SMCZRNYYCUIHTG-QGZVFWFLSA-N 2 1 292.442 3.468 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CC1 ZINC001254512182 806433515 /nfs/dbraw/zinc/43/35/15/806433515.db2.gz JWUXOGMVIYUKIO-MRXNPFEDSA-N 2 1 278.415 3.221 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001254521976 806437841 /nfs/dbraw/zinc/43/78/41/806437841.db2.gz ANHJKJZPEUPUEP-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001254521976 806437847 /nfs/dbraw/zinc/43/78/47/806437847.db2.gz ANHJKJZPEUPUEP-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001254521976 806437852 /nfs/dbraw/zinc/43/78/52/806437852.db2.gz ANHJKJZPEUPUEP-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001254524635 806437997 /nfs/dbraw/zinc/43/79/97/806437997.db2.gz YBVJWLDESGKRSQ-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001254524635 806438002 /nfs/dbraw/zinc/43/80/02/806438002.db2.gz YBVJWLDESGKRSQ-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001254524635 806438003 /nfs/dbraw/zinc/43/80/03/806438003.db2.gz YBVJWLDESGKRSQ-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CC=C(c3ccccc3)CC2)CC1 ZINC001254528629 806441420 /nfs/dbraw/zinc/44/14/20/806441420.db2.gz HTAHCLIWDVHJPO-SFHVURJKSA-N 2 1 270.420 3.260 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001254528629 806441425 /nfs/dbraw/zinc/44/14/25/806441425.db2.gz HTAHCLIWDVHJPO-SFHVURJKSA-N 2 1 270.420 3.260 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001254528629 806441433 /nfs/dbraw/zinc/44/14/33/806441433.db2.gz HTAHCLIWDVHJPO-SFHVURJKSA-N 2 1 270.420 3.260 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530278 806442528 /nfs/dbraw/zinc/44/25/28/806442528.db2.gz WISJVGSVCZECPN-HWOWSKLDSA-N 2 1 268.420 3.075 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530278 806442533 /nfs/dbraw/zinc/44/25/33/806442533.db2.gz WISJVGSVCZECPN-HWOWSKLDSA-N 2 1 268.420 3.075 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530278 806442538 /nfs/dbraw/zinc/44/25/38/806442538.db2.gz WISJVGSVCZECPN-HWOWSKLDSA-N 2 1 268.420 3.075 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530278 806442542 /nfs/dbraw/zinc/44/25/42/806442542.db2.gz WISJVGSVCZECPN-HWOWSKLDSA-N 2 1 268.420 3.075 20 0 CGADMP Cc1cccc(Cl)c1C(=[NH2+])N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254850139 806499181 /nfs/dbraw/zinc/49/91/81/806499181.db2.gz DYDVJVDUNDSZJM-CYBMUJFWSA-N 2 1 291.826 3.048 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1Cc2ccccc2C1 ZINC001255027266 806530826 /nfs/dbraw/zinc/53/08/26/806530826.db2.gz OHQWYXHPLDXVTH-OALUTQOASA-N 2 1 298.474 3.493 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1Cc2ccccc2C1 ZINC001255027266 806530831 /nfs/dbraw/zinc/53/08/31/806530831.db2.gz OHQWYXHPLDXVTH-OALUTQOASA-N 2 1 298.474 3.493 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC001255059241 806534774 /nfs/dbraw/zinc/53/47/74/806534774.db2.gz UVTQENSTBMXJDB-CHWSQXEVSA-N 2 1 282.453 3.139 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC001255059241 806534782 /nfs/dbraw/zinc/53/47/82/806534782.db2.gz UVTQENSTBMXJDB-CHWSQXEVSA-N 2 1 282.453 3.139 20 0 CGADMP CC(C)c1cccc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001162581153 806623715 /nfs/dbraw/zinc/62/37/15/806623715.db2.gz ZQQMSPFOLUYQOX-OAHLLOKOSA-N 2 1 265.376 3.099 20 0 CGADMP CC(C)(C)c1cc[nH+]c(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001162586303 806624910 /nfs/dbraw/zinc/62/49/10/806624910.db2.gz FVORTPOAQXJKBD-MRXNPFEDSA-N 2 1 279.403 3.273 20 0 CGADMP CC(C)(C)c1cc[nH+]c(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001162586302 806625029 /nfs/dbraw/zinc/62/50/29/806625029.db2.gz FVORTPOAQXJKBD-INIZCTEOSA-N 2 1 279.403 3.273 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3ccccn3)CC2)cc1 ZINC001255375670 806628932 /nfs/dbraw/zinc/62/89/32/806628932.db2.gz GBJGIDYKFIBHOO-GOSISDBHSA-N 2 1 295.430 3.226 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccccn3)CC2)cc1 ZINC001255375670 806628937 /nfs/dbraw/zinc/62/89/37/806628937.db2.gz GBJGIDYKFIBHOO-GOSISDBHSA-N 2 1 295.430 3.226 20 0 CGADMP C[N@H+]1CCC[C@H](n2cc(C(C)(C)C[NH3+])c3ccccc32)C1 ZINC001255475587 806647609 /nfs/dbraw/zinc/64/76/09/806647609.db2.gz RPBXLZLCCNXUSM-AWEZNQCLSA-N 2 1 285.435 3.144 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCOC(C)(C)C2)CC1 ZINC001255551792 806672305 /nfs/dbraw/zinc/67/23/05/806672305.db2.gz PLHPRZSQCFMIGJ-MRXNPFEDSA-N 2 1 282.472 3.140 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644614 798871248 /nfs/dbraw/zinc/87/12/48/798871248.db2.gz FKORKZIXOQEVAN-WMLDXEAASA-N 2 1 288.435 3.004 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001255668904 806700156 /nfs/dbraw/zinc/70/01/56/806700156.db2.gz PAYMZQFXAWRSMI-UYTSQGDYSA-N 2 1 273.424 3.138 20 0 CGADMP CCCC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC001255671697 806701847 /nfs/dbraw/zinc/70/18/47/806701847.db2.gz QUYAGAFYCXOFJJ-GOOCMWNKSA-N 2 1 250.430 3.314 20 0 CGADMP CCCC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001255671697 806701848 /nfs/dbraw/zinc/70/18/48/806701848.db2.gz QUYAGAFYCXOFJJ-GOOCMWNKSA-N 2 1 250.430 3.314 20 0 CGADMP C[N@H+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674992 806702395 /nfs/dbraw/zinc/70/23/95/806702395.db2.gz WQYWZXMLTCKJNC-SJPCQFCGSA-N 2 1 258.409 3.134 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674992 806702398 /nfs/dbraw/zinc/70/23/98/806702398.db2.gz WQYWZXMLTCKJNC-SJPCQFCGSA-N 2 1 258.409 3.134 20 0 CGADMP C[NH+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674992 806702407 /nfs/dbraw/zinc/70/24/07/806702407.db2.gz WQYWZXMLTCKJNC-SJPCQFCGSA-N 2 1 258.409 3.134 20 0 CGADMP C[NH+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674992 806702414 /nfs/dbraw/zinc/70/24/14/806702414.db2.gz WQYWZXMLTCKJNC-SJPCQFCGSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674077 806702805 /nfs/dbraw/zinc/70/28/05/806702805.db2.gz KIHUQYVPNMEOTE-GJZITSJHSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674077 806702809 /nfs/dbraw/zinc/70/28/09/806702809.db2.gz KIHUQYVPNMEOTE-GJZITSJHSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@H](C)[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674077 806702815 /nfs/dbraw/zinc/70/28/15/806702815.db2.gz KIHUQYVPNMEOTE-GJZITSJHSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@H](C)[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674077 806702819 /nfs/dbraw/zinc/70/28/19/806702819.db2.gz KIHUQYVPNMEOTE-GJZITSJHSA-N 2 1 250.430 3.265 20 0 CGADMP Cc1ccc(CC[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255681659 806703450 /nfs/dbraw/zinc/70/34/50/806703450.db2.gz ZUVFMFGGAPOOKF-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CC[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255681659 806703456 /nfs/dbraw/zinc/70/34/56/806703456.db2.gz ZUVFMFGGAPOOKF-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CC[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255681659 806703461 /nfs/dbraw/zinc/70/34/61/806703461.db2.gz ZUVFMFGGAPOOKF-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CC[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255681659 806703465 /nfs/dbraw/zinc/70/34/65/806703465.db2.gz ZUVFMFGGAPOOKF-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001255681543 806704179 /nfs/dbraw/zinc/70/41/79/806704179.db2.gz WRXDMJCKWKYFTL-YFVFXCHESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001255681543 806704183 /nfs/dbraw/zinc/70/41/83/806704183.db2.gz WRXDMJCKWKYFTL-YFVFXCHESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001255681543 806704186 /nfs/dbraw/zinc/70/41/86/806704186.db2.gz WRXDMJCKWKYFTL-YFVFXCHESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001255681543 806704190 /nfs/dbraw/zinc/70/41/90/806704190.db2.gz WRXDMJCKWKYFTL-YFVFXCHESA-N 2 1 250.430 3.122 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000121826358 798988903 /nfs/dbraw/zinc/98/89/03/798988903.db2.gz DWLLOGUBPMLOLY-CRAIPNDOSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)F)c2)CC[N@H+]1C ZINC000156035605 799064784 /nfs/dbraw/zinc/06/47/84/799064784.db2.gz JCXGWYOQKUGSME-SMDDNHRTSA-N 2 1 268.351 3.197 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)F)c2)CC[N@H+]1C ZINC000156035724 799065183 /nfs/dbraw/zinc/06/51/83/799065183.db2.gz JCXGWYOQKUGSME-RISCZKNCSA-N 2 1 268.351 3.197 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001255759945 806739027 /nfs/dbraw/zinc/73/90/27/806739027.db2.gz FFXMNUREWUUWSW-HLLBOEOZSA-N 2 1 292.492 3.405 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001255759945 806739031 /nfs/dbraw/zinc/73/90/31/806739031.db2.gz FFXMNUREWUUWSW-HLLBOEOZSA-N 2 1 292.492 3.405 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379648094 799352130 /nfs/dbraw/zinc/35/21/30/799352130.db2.gz LYFUBOOFRIXONP-SPKVYTQQSA-N 2 1 278.827 3.382 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CC[N@H+]1Cc1ccccc1 ZINC000379648094 799352136 /nfs/dbraw/zinc/35/21/36/799352136.db2.gz LYFUBOOFRIXONP-SPKVYTQQSA-N 2 1 278.827 3.382 20 0 CGADMP c1ccc(C[N@H+](CC[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000383743400 799406875 /nfs/dbraw/zinc/40/68/75/799406875.db2.gz SQJISXNZCKOCEY-MRXNPFEDSA-N 2 1 258.409 3.183 20 0 CGADMP CC[C@H]1[C@@H](C)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000384085195 799411695 /nfs/dbraw/zinc/41/16/95/799411695.db2.gz AAFVPCSMAYYRTG-IXIBIKRGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000385438242 799426695 /nfs/dbraw/zinc/42/66/95/799426695.db2.gz PICPGVSBHFDOGW-RDJZCZTQSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000388524617 799453612 /nfs/dbraw/zinc/45/36/12/799453612.db2.gz VBRBMOPHMOINCX-LBPRGKRZSA-N 2 1 277.799 3.066 20 0 CGADMP C[C@@]1(CNCc2ccoc2)CCC[N@H+]1Cc1ccccc1 ZINC000397887611 799523304 /nfs/dbraw/zinc/52/33/04/799523304.db2.gz JXJZOGZGLJLGFV-SFHVURJKSA-N 2 1 284.403 3.424 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[NH+](C)C ZINC000403670871 799569868 /nfs/dbraw/zinc/56/98/68/799569868.db2.gz OCAXOMADKSTFKW-UYTSQGDYSA-N 2 1 284.513 3.369 20 0 CGADMP C[C@H]([N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2)C(C)(C)C ZINC000687978170 799743871 /nfs/dbraw/zinc/74/38/71/799743871.db2.gz KBXLWKXYHIHBJY-NSHDSACASA-N 2 1 266.454 3.260 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCCCCCC2)C1 ZINC000700826861 799881184 /nfs/dbraw/zinc/88/11/84/799881184.db2.gz ONLBJFDYNQNYPZ-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCCCCCC2)C1 ZINC000700826865 799882115 /nfs/dbraw/zinc/88/21/15/799882115.db2.gz ONLBJFDYNQNYPZ-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001255944347 806791234 /nfs/dbraw/zinc/79/12/34/806791234.db2.gz USIXSEJNOKRUOO-CQSZACIVSA-N 2 1 266.404 3.344 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC001255944739 806791734 /nfs/dbraw/zinc/79/17/34/806791734.db2.gz YQOKDWDNVMLRMM-HNNXBMFYSA-N 2 1 285.435 3.445 20 0 CGADMP CCC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000708489732 799991064 /nfs/dbraw/zinc/99/10/64/799991064.db2.gz JYXXRVPDQVHKOL-WZYMTQMTSA-N 2 1 250.430 3.029 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709871306 800021500 /nfs/dbraw/zinc/02/15/00/800021500.db2.gz UBBWVSLIGWLAJU-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709872026 800022450 /nfs/dbraw/zinc/02/24/50/800022450.db2.gz WXXQOTBVEOBKDZ-SFHVURJKSA-N 2 1 270.420 3.140 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1OC(F)F ZINC000710693047 800037959 /nfs/dbraw/zinc/03/79/59/800037959.db2.gz JTHXNJHCLXGVQP-UHFFFAOYSA-N 2 1 286.366 3.239 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000710760994 800038586 /nfs/dbraw/zinc/03/85/86/800038586.db2.gz WHKLLJBKDBWTLI-UHFFFAOYSA-N 2 1 254.443 3.261 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCc1ccccc1 ZINC001255955414 806798254 /nfs/dbraw/zinc/79/82/54/806798254.db2.gz SUOSEJCLJIIWGA-INIZCTEOSA-N 2 1 262.441 3.281 20 0 CGADMP C[C@H]1c2sccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000712287547 800082924 /nfs/dbraw/zinc/08/29/24/800082924.db2.gz YBVPKKQTQYUNHE-LBPRGKRZSA-N 2 1 252.427 3.186 20 0 CGADMP c1cc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2o1 ZINC001256070756 806810983 /nfs/dbraw/zinc/81/09/83/806810983.db2.gz FMMRKNHODLVUPU-UHFFFAOYSA-N 2 1 270.376 3.149 20 0 CGADMP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000717462645 800201563 /nfs/dbraw/zinc/20/15/63/800201563.db2.gz IWJOTFJULMGPTF-BBRMVZONSA-N 2 1 264.457 3.418 20 0 CGADMP c1ccc(C[N@@H+](C2CC2)C2CCN(C3CC3)CC2)cc1 ZINC001256081163 806817119 /nfs/dbraw/zinc/81/71/19/806817119.db2.gz QPPZIGGGTYOTQJ-UHFFFAOYSA-N 2 1 270.420 3.278 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC001256197176 806846849 /nfs/dbraw/zinc/84/68/49/806846849.db2.gz ATXDNQQQZROWIO-HNNXBMFYSA-N 2 1 264.800 3.011 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@H](CF)c2ccc(F)cc2)C[C@@H]([NH3+])C1 ZINC000925729437 800633168 /nfs/dbraw/zinc/63/31/68/800633168.db2.gz QCHVOFDPSNSYOI-QLFBSQMISA-N 2 1 282.378 3.332 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256207970 806849613 /nfs/dbraw/zinc/84/96/13/806849613.db2.gz SOCDVDAHFJDMLW-UHFFFAOYSA-N 2 1 298.474 3.369 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001256396883 806881184 /nfs/dbraw/zinc/88/11/84/806881184.db2.gz LXEGMRXVLHHZCW-VQIMIIECSA-N 2 1 297.446 3.295 20 0 CGADMP Cc1cc[nH+]c2cc(N(CCC[NH3+])C(C)C)ccc12 ZINC001164126641 806897943 /nfs/dbraw/zinc/89/79/43/806897943.db2.gz BWQLNGDWFLYAER-UHFFFAOYSA-N 2 1 257.381 3.107 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519856 806909779 /nfs/dbraw/zinc/90/97/79/806909779.db2.gz FJDXUGDUIBPVGU-GDBMZVCRSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256519856 806909783 /nfs/dbraw/zinc/90/97/83/806909783.db2.gz FJDXUGDUIBPVGU-GDBMZVCRSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537523 806912562 /nfs/dbraw/zinc/91/25/62/806912562.db2.gz NTPJACLOHHWFNE-WBVHZDCISA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537523 806912565 /nfs/dbraw/zinc/91/25/65/806912565.db2.gz NTPJACLOHHWFNE-WBVHZDCISA-N 2 1 272.436 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256561832 806916433 /nfs/dbraw/zinc/91/64/33/806916433.db2.gz NKPZRUUBEFWTKG-MRXNPFEDSA-N 2 1 297.531 3.349 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001256568833 806917951 /nfs/dbraw/zinc/91/79/51/806917951.db2.gz HGNKXRMZNPVTCU-KRWDZBQOSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001256568833 806917957 /nfs/dbraw/zinc/91/79/57/806917957.db2.gz HGNKXRMZNPVTCU-KRWDZBQOSA-N 2 1 287.451 3.481 20 0 CGADMP CCc1c[nH]c2nc[nH+]c(N[C@@H](C)CC[NH+](CC)CC)c12 ZINC001164394863 806944499 /nfs/dbraw/zinc/94/44/99/806944499.db2.gz USAVXVJILZNYHQ-LBPRGKRZSA-N 2 1 289.427 3.053 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C(C)(C)c1ccnc(Cl)c1 ZINC001164474310 806951142 /nfs/dbraw/zinc/95/11/42/806951142.db2.gz PAGGYWALSCTJRJ-NEPJUHHUSA-N 2 1 281.831 3.029 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C(C)(C)c1ccnc(Cl)c1 ZINC001164474310 806951148 /nfs/dbraw/zinc/95/11/48/806951148.db2.gz PAGGYWALSCTJRJ-NEPJUHHUSA-N 2 1 281.831 3.029 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001116292715 802326109 /nfs/dbraw/zinc/32/61/09/802326109.db2.gz BWJHAFIIDQMCNB-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC001116289707 802326187 /nfs/dbraw/zinc/32/61/87/802326187.db2.gz ZFGNRJGTFOWKFJ-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC001116289707 802326195 /nfs/dbraw/zinc/32/61/95/802326195.db2.gz ZFGNRJGTFOWKFJ-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CC(C)[NH+](CCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC001116431295 802347522 /nfs/dbraw/zinc/34/75/22/802347522.db2.gz WCVBALKUTRRRKX-SFHVURJKSA-N 2 1 274.452 3.424 20 0 CGADMP CC(C)[NH+](CCc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC001116431295 802347528 /nfs/dbraw/zinc/34/75/28/802347528.db2.gz WCVBALKUTRRRKX-SFHVURJKSA-N 2 1 274.452 3.424 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172382156 808275738 /nfs/dbraw/zinc/27/57/38/808275738.db2.gz JQYNGPLCLYFULD-BZUAXINKSA-N 2 1 254.462 3.475 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC001118121194 802526868 /nfs/dbraw/zinc/52/68/68/802526868.db2.gz BIGATHUJFHAJFG-NWDGAFQWSA-N 2 1 286.366 3.245 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC001118122188 802527274 /nfs/dbraw/zinc/52/72/74/802527274.db2.gz QQJRVAHTKMHBTO-FZMZJTMJSA-N 2 1 282.815 3.141 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001120262888 802737623 /nfs/dbraw/zinc/73/76/23/802737623.db2.gz FYHKODGKQIXPEN-GLQYFDAESA-N 2 1 264.800 3.214 20 0 CGADMP F[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC001120364656 802742611 /nfs/dbraw/zinc/74/26/11/802742611.db2.gz MEYWPVGEPCSYTI-RRYDCEEVSA-N 2 1 266.404 3.015 20 0 CGADMP Cc1cc[nH+]c(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001120833512 802785698 /nfs/dbraw/zinc/78/56/98/802785698.db2.gz PALJZMXIZGDQJX-CABCVRRESA-N 2 1 273.424 3.455 20 0 CGADMP Cc1cc[nH+]c(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001120833512 802785699 /nfs/dbraw/zinc/78/56/99/802785699.db2.gz PALJZMXIZGDQJX-CABCVRRESA-N 2 1 273.424 3.455 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1 ZINC001120860513 802788047 /nfs/dbraw/zinc/78/80/47/802788047.db2.gz NFSUBNGCVUSEAI-MRXNPFEDSA-N 2 1 295.430 3.490 20 0 CGADMP CCC1([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CCC1 ZINC001256906470 807007523 /nfs/dbraw/zinc/00/75/23/807007523.db2.gz RDQHGCZNLFWVST-AWEZNQCLSA-N 2 1 250.430 3.316 20 0 CGADMP CCC1([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CCC1 ZINC001256906470 807007529 /nfs/dbraw/zinc/00/75/29/807007529.db2.gz RDQHGCZNLFWVST-AWEZNQCLSA-N 2 1 250.430 3.316 20 0 CGADMP CCC(CC)C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894077 807000092 /nfs/dbraw/zinc/00/00/92/807000092.db2.gz DNNFZMHWQSBRFN-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(CC)C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894077 807000102 /nfs/dbraw/zinc/00/01/02/807000102.db2.gz DNNFZMHWQSBRFN-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205280516 812928653 /nfs/dbraw/zinc/92/86/53/812928653.db2.gz BCJMEBRGGAYXBZ-SFHVURJKSA-N 2 1 290.451 3.486 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206810865 813442994 /nfs/dbraw/zinc/44/29/94/813442994.db2.gz QGJFQASSTFFQDI-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206810865 813442999 /nfs/dbraw/zinc/44/29/99/813442999.db2.gz QGJFQASSTFFQDI-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP C[NH2+]Cc1cccc(-c2cc(N3CCCC3)cc[nH+]2)c1F ZINC001244859842 803552320 /nfs/dbraw/zinc/55/23/20/803552320.db2.gz MEDVXTVIXQJHOM-UHFFFAOYSA-N 2 1 285.366 3.207 20 0 CGADMP Cc1ccc(Cl)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1F ZINC001138032206 803835471 /nfs/dbraw/zinc/83/54/71/803835471.db2.gz WXVMWGZPUFJRSY-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1ccc(Cl)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1F ZINC001138032206 803835481 /nfs/dbraw/zinc/83/54/81/803835481.db2.gz WXVMWGZPUFJRSY-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001138032206 803835486 /nfs/dbraw/zinc/83/54/86/803835486.db2.gz WXVMWGZPUFJRSY-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001138032206 803835495 /nfs/dbraw/zinc/83/54/95/803835495.db2.gz WXVMWGZPUFJRSY-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1c2ccccc2sc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001138463657 803944777 /nfs/dbraw/zinc/94/47/77/803944777.db2.gz KNZBKSYEQZHFQV-OKILXGFUSA-N 2 1 286.444 3.203 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001138463657 803944780 /nfs/dbraw/zinc/94/47/80/803944780.db2.gz KNZBKSYEQZHFQV-OKILXGFUSA-N 2 1 286.444 3.203 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001138463657 803944781 /nfs/dbraw/zinc/94/47/81/803944781.db2.gz KNZBKSYEQZHFQV-OKILXGFUSA-N 2 1 286.444 3.203 20 0 CGADMP CCCc1ccc(CN2C[C@@H]3C[N@H+](CC)C[C@@H]3C2)s1 ZINC001138529545 803962455 /nfs/dbraw/zinc/96/24/55/803962455.db2.gz UGNJKAXZCYUTCP-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)s1 ZINC001138529545 803962461 /nfs/dbraw/zinc/96/24/61/803962461.db2.gz UGNJKAXZCYUTCP-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)s1 ZINC001138529545 803962465 /nfs/dbraw/zinc/96/24/65/803962465.db2.gz UGNJKAXZCYUTCP-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)s1 ZINC001138529545 803962469 /nfs/dbraw/zinc/96/24/69/803962469.db2.gz UGNJKAXZCYUTCP-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)s1 ZINC001138529545 803962475 /nfs/dbraw/zinc/96/24/75/803962475.db2.gz UGNJKAXZCYUTCP-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]2C)cc1 ZINC001138543649 803965404 /nfs/dbraw/zinc/96/54/04/803965404.db2.gz SOSDJEUAEHFJNW-CYBMUJFWSA-N 2 1 255.365 3.165 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]2C)cc1 ZINC001138543649 803965408 /nfs/dbraw/zinc/96/54/08/803965408.db2.gz SOSDJEUAEHFJNW-CYBMUJFWSA-N 2 1 255.365 3.165 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC001246073489 804112143 /nfs/dbraw/zinc/11/21/43/804112143.db2.gz ZGIQZJHIEDMEAM-HUUCEWRRSA-N 2 1 264.388 3.082 20 0 CGADMP [NH3+]CCCCCCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246082218 804119409 /nfs/dbraw/zinc/11/94/09/804119409.db2.gz VYPLSBXURYRXBR-QGZVFWFLSA-N 3 1 295.515 3.282 20 0 CGADMP [NH3+]CCCCCCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246082218 804119414 /nfs/dbraw/zinc/11/94/14/804119414.db2.gz VYPLSBXURYRXBR-QGZVFWFLSA-N 3 1 295.515 3.282 20 0 CGADMP C[C@@]1([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]C1 ZINC001246092379 804124364 /nfs/dbraw/zinc/12/43/64/804124364.db2.gz BQZHNHLGDWDGPH-IXDOHACOSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@]1([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]C1 ZINC001246096205 804128304 /nfs/dbraw/zinc/12/83/04/804128304.db2.gz IUNQKGYCHOEIHT-SWLSCSKDSA-N 2 1 299.245 3.192 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246097119 804130329 /nfs/dbraw/zinc/13/03/29/804130329.db2.gz NKJOIMSCDODTJL-NJAFHUGGSA-N 2 1 274.452 3.376 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001246100510 804133693 /nfs/dbraw/zinc/13/36/93/804133693.db2.gz FOQSHRSMUIBHOK-IJEWVQPXSA-N 2 1 278.465 3.063 20 0 CGADMP F[C@]1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCCC[NH2+]C1 ZINC001246112037 804143306 /nfs/dbraw/zinc/14/33/06/804143306.db2.gz KBVHEYVJAQLZLH-FGTMMUONSA-N 2 1 290.426 3.394 20 0 CGADMP CCCC[C@@H](CCC)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246111808 804143575 /nfs/dbraw/zinc/14/35/75/804143575.db2.gz JSKCAHPSJCVICW-HUUCEWRRSA-N 2 1 258.425 3.417 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246113720 804144658 /nfs/dbraw/zinc/14/46/58/804144658.db2.gz JUOUZMRHZQVCEU-JYYAWHABSA-N 2 1 288.435 3.409 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C[C@@]2(F)CCCC[NH2+]C2)C1 ZINC001246116164 804148554 /nfs/dbraw/zinc/14/85/54/804148554.db2.gz VBPSDECQVMIDIJ-UKRRQHHQSA-N 2 1 256.409 3.027 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2cccnc2c1 ZINC001139171285 804149857 /nfs/dbraw/zinc/14/98/57/804149857.db2.gz QJHFUDHWFWIEJA-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP Cc1cccc2[nH]cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)c21 ZINC001139200501 804159734 /nfs/dbraw/zinc/15/97/34/804159734.db2.gz ZFPXKIIHDGUPFY-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c21 ZINC001139200501 804159738 /nfs/dbraw/zinc/15/97/38/804159738.db2.gz ZFPXKIIHDGUPFY-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c21 ZINC001139200501 804159744 /nfs/dbraw/zinc/15/97/44/804159744.db2.gz ZFPXKIIHDGUPFY-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Clc1cccc2c1CC[C@@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)C2 ZINC001246136039 804160923 /nfs/dbraw/zinc/16/09/23/804160923.db2.gz QXOHSEJRWBOAGX-XOKHGSTOSA-N 2 1 290.838 3.072 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246169385 804183876 /nfs/dbraw/zinc/18/38/76/804183876.db2.gz NGIFKKJOSLNDIQ-DLBZAZTESA-N 2 1 260.425 3.130 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@H]2CCCCN2)cc1 ZINC001246170776 804185844 /nfs/dbraw/zinc/18/58/44/804185844.db2.gz SVPMRIFOELIKRP-HUUCEWRRSA-N 2 1 278.465 3.207 20 0 CGADMP F[C@@]1(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246181671 804195562 /nfs/dbraw/zinc/19/55/62/804195562.db2.gz RMNHPTHRQLRZPN-KURKYZTESA-N 2 1 290.426 3.394 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC001246187625 804198813 /nfs/dbraw/zinc/19/88/13/804198813.db2.gz CRVVSWNIMXGXGL-GWCFXTLKSA-N 2 1 287.234 3.266 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@H]3CC[NH2+]3)ccc2c1 ZINC001246197784 804203769 /nfs/dbraw/zinc/20/37/69/804203769.db2.gz ANZIPXJRBXSTOP-RDTXWAMCSA-N 2 1 298.430 3.121 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)C)C2)c(F)c1 ZINC001246233701 804227076 /nfs/dbraw/zinc/22/70/76/804227076.db2.gz LIEOSLFOKDANRA-GOEBONIOSA-N 2 1 264.388 3.000 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246264700 804245243 /nfs/dbraw/zinc/24/52/43/804245243.db2.gz OQPULSBKRPRNCY-MUJYYYPQSA-N 2 1 294.414 3.233 20 0 CGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+]C1CCc2ccccc2CC1 ZINC001246266327 804245986 /nfs/dbraw/zinc/24/59/86/804245986.db2.gz JZEXPVOEPXHMDQ-HXUWFJFHSA-N 2 1 294.442 3.094 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(C)c(C)c1 ZINC001246309798 804271733 /nfs/dbraw/zinc/27/17/33/804271733.db2.gz XUMMTOWFEKCMKN-HYVNUMGLSA-N 2 1 260.425 3.485 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccc(OC)c1 ZINC001246318691 804278460 /nfs/dbraw/zinc/27/84/60/804278460.db2.gz BHFOLQPIJIFQOD-KXBFYZLASA-N 2 1 298.430 3.372 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246324829 804282693 /nfs/dbraw/zinc/28/26/93/804282693.db2.gz GRUCNWRIZHZHQD-JYJNAYRXSA-N 2 1 264.457 3.467 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246333644 804289861 /nfs/dbraw/zinc/28/98/61/804289861.db2.gz WEJVRNAZHATRKV-IUODEOHRSA-N 2 1 280.843 3.249 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CC1(C)C ZINC001246340686 804292289 /nfs/dbraw/zinc/29/22/89/804292289.db2.gz MVDVUUNMOMHZKB-MSOLQXFVSA-N 3 1 293.499 3.032 20 0 CGADMP CCCC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC001246344451 804296455 /nfs/dbraw/zinc/29/64/55/804296455.db2.gz ZJUVZFFRXWVQGY-PQAZSJQKSA-N 2 1 292.389 3.475 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](NC2C[C@@H](CC)[NH2+][C@H](CC)C2)C1 ZINC001246360193 804304823 /nfs/dbraw/zinc/30/48/23/804304823.db2.gz GCFQAAUFTSGOPT-OAGGEKHMSA-N 2 1 295.515 3.148 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3F)CCC2)C[NH2+]1 ZINC001246396150 804319512 /nfs/dbraw/zinc/31/95/12/804319512.db2.gz XMCDOBFNZLLQBO-GOEBONIOSA-N 2 1 290.426 3.269 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3F)CCC2)C[NH2+]1 ZINC001246396147 804320183 /nfs/dbraw/zinc/32/01/83/804320183.db2.gz XMCDOBFNZLLQBO-GDBMZVCRSA-N 2 1 290.426 3.269 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[NH2+]C3(C[NH3+])CC3)ccc2c1 ZINC001246444537 804333556 /nfs/dbraw/zinc/33/35/56/804333556.db2.gz CLNRQYOLBOABAO-CQSZACIVSA-N 2 1 298.430 3.250 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1(C[NH3+])CC1 ZINC001246445400 804334700 /nfs/dbraw/zinc/33/47/00/804334700.db2.gz HFGDQMXXNKWXKB-SECBINFHSA-N 2 1 273.207 3.005 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)CC[NH2+]2)cc1 ZINC001246458334 804340349 /nfs/dbraw/zinc/34/03/49/804340349.db2.gz QDYFFOQDDGQQBJ-REEYDVFISA-N 2 1 270.420 3.258 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)cc(F)c1 ZINC001246461488 804343075 /nfs/dbraw/zinc/34/30/75/804343075.db2.gz JTJGZGYQRMWAFP-VFSICIBPSA-N 2 1 280.362 3.289 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)CCOCC(C)C ZINC001246500468 804362401 /nfs/dbraw/zinc/36/24/01/804362401.db2.gz IJKAOTJXXIOLOX-HNNXBMFYSA-N 2 1 272.477 3.325 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246502936 804363502 /nfs/dbraw/zinc/36/35/02/804363502.db2.gz HTVYIQPKSVRUOE-KBPBESRZSA-N 2 1 280.843 3.160 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246507466 804366171 /nfs/dbraw/zinc/36/61/71/804366171.db2.gz BQMBHNLMLQXLSQ-DZUCGIPZSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246520155 804374575 /nfs/dbraw/zinc/37/45/75/804374575.db2.gz RBJBZJBEDDKFFB-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP CCC[N@@H+](CC)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246521228 804375969 /nfs/dbraw/zinc/37/59/69/804375969.db2.gz NJOBMWGRUFWSOL-IAGOWNOFSA-N 2 1 260.425 3.082 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246530808 804381061 /nfs/dbraw/zinc/38/10/61/804381061.db2.gz OEIIAPSYWCBYLU-DAWZGUTISA-N 2 1 272.436 3.211 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246529443 804382310 /nfs/dbraw/zinc/38/23/10/804382310.db2.gz JKUULBZGUUOGIV-OAHLLOKOSA-N 2 1 250.430 3.303 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](C2CCC3(CCCC3)CC2)CC1 ZINC001246538626 804387789 /nfs/dbraw/zinc/38/77/89/804387789.db2.gz DMBYKDBSEYEOCQ-AWEZNQCLSA-N 2 1 250.430 3.303 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246538823 804388663 /nfs/dbraw/zinc/38/86/63/804388663.db2.gz OFMFDEBGURHIQK-UAGQMJEPSA-N 2 1 258.409 3.272 20 0 CGADMP CCCCCC1CCC([N@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246542788 804389853 /nfs/dbraw/zinc/38/98/53/804389853.db2.gz LJZJPPMLQBSPLL-DAWZGUTISA-N 2 1 296.499 3.301 20 0 CGADMP FC1(F)CCCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246540753 804391622 /nfs/dbraw/zinc/39/16/22/804391622.db2.gz CDVHSHWYXBWQOL-ZDUSSCGKSA-N 2 1 272.383 3.030 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246550150 804400842 /nfs/dbraw/zinc/40/08/42/804400842.db2.gz UUNLGYQECPCAAX-OALUTQOASA-N 2 1 284.447 3.275 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246551245 804400894 /nfs/dbraw/zinc/40/08/94/804400894.db2.gz XOYOCGMDLRKZRW-SIXLDLHFSA-N 2 1 270.420 3.279 20 0 CGADMP CC1(C)CCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246550300 804400935 /nfs/dbraw/zinc/40/09/35/804400935.db2.gz OERWVXJDSGUYSV-AWEZNQCLSA-N 2 1 250.430 3.316 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246552296 804402469 /nfs/dbraw/zinc/40/24/69/804402469.db2.gz YAQTVEVIIKMYLO-PVAVHDDUSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246552296 804402474 /nfs/dbraw/zinc/40/24/74/804402474.db2.gz YAQTVEVIIKMYLO-PVAVHDDUSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246552055 804402579 /nfs/dbraw/zinc/40/25/79/804402579.db2.gz NPOXJQOZBOLMBZ-XJKSGUPXSA-N 2 1 278.827 3.011 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCCC[C@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246554945 804404853 /nfs/dbraw/zinc/40/48/53/804404853.db2.gz CZXWODVEVOEIEM-RRFJBIMHSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246554403 804404971 /nfs/dbraw/zinc/40/49/71/804404971.db2.gz WIEUEEYFFXLWDL-VNHYZAJKSA-N 2 1 280.843 3.188 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](F)CC2)CC[NH2+]1 ZINC001246560058 804408695 /nfs/dbraw/zinc/40/86/95/804408695.db2.gz RNMIHUUNYUOJFI-RRFJBIMHSA-N 2 1 256.409 3.121 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246560618 804409653 /nfs/dbraw/zinc/40/96/53/804409653.db2.gz QTVFCCZEMPJDPR-OWCLPIDISA-N 2 1 252.446 3.428 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001246563149 804411586 /nfs/dbraw/zinc/41/15/86/804411586.db2.gz OZVOAMLUMDOXFS-PRLABOORSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246563484 804412199 /nfs/dbraw/zinc/41/21/99/804412199.db2.gz KBUXLGPORBYMBQ-KBXIAJHMSA-N 2 1 252.446 3.260 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(F)CC2)CC[NH2+]1 ZINC001246563792 804413894 /nfs/dbraw/zinc/41/38/94/804413894.db2.gz BYJILGJRWJIIOR-YCPHGPKFSA-N 2 1 270.436 3.367 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CCC[C@H]1C[NH3+] ZINC001246563838 804414035 /nfs/dbraw/zinc/41/40/35/804414035.db2.gz VGPJWYVLMDGCIU-IFIJOSMWSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246564018 804414322 /nfs/dbraw/zinc/41/43/22/804414322.db2.gz YNNNFLZDTXIPRF-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001246567859 804415429 /nfs/dbraw/zinc/41/54/29/804415429.db2.gz MVJKXRWDNZUIGJ-SOLBZPMBSA-N 2 1 274.452 3.233 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246570769 804416870 /nfs/dbraw/zinc/41/68/70/804416870.db2.gz VLOJZKTVQMLJCX-HRCADAONSA-N 2 1 252.446 3.428 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1C ZINC001246572974 804418801 /nfs/dbraw/zinc/41/88/01/804418801.db2.gz LQBICPDKUVQTJF-QBPKDAKJSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@]1(F)CCC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246571708 804419015 /nfs/dbraw/zinc/41/90/15/804419015.db2.gz FJSVBHDGOQZQNI-HUUCEWRRSA-N 2 1 268.420 3.265 20 0 CGADMP C[C@@]1(F)CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246571708 804419018 /nfs/dbraw/zinc/41/90/18/804419018.db2.gz FJSVBHDGOQZQNI-HUUCEWRRSA-N 2 1 268.420 3.265 20 0 CGADMP C[C@@]1(F)CCCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246574088 804421076 /nfs/dbraw/zinc/42/10/76/804421076.db2.gz JUGZXKKQUZAEEK-HUUCEWRRSA-N 2 1 268.420 3.123 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001246579960 804424614 /nfs/dbraw/zinc/42/46/14/804424614.db2.gz DOQCCFQSEZRVNQ-MAUKXSAKSA-N 2 1 274.452 3.241 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246580857 804425964 /nfs/dbraw/zinc/42/59/64/804425964.db2.gz IGKIOSCZTMMURC-DZGCQCFKSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246583000 804428149 /nfs/dbraw/zinc/42/81/49/804428149.db2.gz PUAOUPSYBIMHIK-OLZOCXBDSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246582851 804428469 /nfs/dbraw/zinc/42/84/69/804428469.db2.gz HTKAMAFAWFVBKT-RHSMWYFYSA-N 2 1 278.415 3.208 20 0 CGADMP CC(C)OC1CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246583323 804428696 /nfs/dbraw/zinc/42/86/96/804428696.db2.gz JOAUZHPWKLRPIN-JCYILVPMSA-N 2 1 282.472 3.174 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246582858 804428781 /nfs/dbraw/zinc/42/87/81/804428781.db2.gz NZWSCTSEAHTLIQ-STQMWFEESA-N 2 1 298.833 3.471 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](C2CCC(c3ccccc3)CC2)CC[C@H]1F ZINC001246585436 804429140 /nfs/dbraw/zinc/42/91/40/804429140.db2.gz KNYYWYLCKKLAPA-HIEASXQVSA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@H]1CC[N@H+](C2CCC(c3ccccc3)CC2)CC[C@H]1F ZINC001246585436 804429144 /nfs/dbraw/zinc/42/91/44/804429144.db2.gz KNYYWYLCKKLAPA-HIEASXQVSA-N 2 1 290.426 3.474 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001246585634 804429722 /nfs/dbraw/zinc/42/97/22/804429722.db2.gz YNNRSMMRBDYLKA-AEFFLSMTSA-N 2 1 274.452 3.377 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246589248 804432140 /nfs/dbraw/zinc/43/21/40/804432140.db2.gz DQBUBSFWKMAULB-SQNIBIBYSA-N 3 1 295.515 3.150 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246589248 804432145 /nfs/dbraw/zinc/43/21/45/804432145.db2.gz DQBUBSFWKMAULB-SQNIBIBYSA-N 3 1 295.515 3.150 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@](C)(C[NH3+])C1)CC2 ZINC001246589884 804432467 /nfs/dbraw/zinc/43/24/67/804432467.db2.gz GDQKLRDKOYGIRP-OALUTQOASA-N 2 1 286.463 3.303 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246591638 804433572 /nfs/dbraw/zinc/43/35/72/804433572.db2.gz NHPIKVNTTCOHPX-NFAWXSAZSA-N 2 1 292.854 3.257 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246593857 804435253 /nfs/dbraw/zinc/43/52/53/804435253.db2.gz TVZDTWMTMLCDFY-NEWSRXKRSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246593376 804435842 /nfs/dbraw/zinc/43/58/42/804435842.db2.gz MQNMDYDODSFEPZ-MHORFTMASA-N 3 1 295.515 3.148 20 0 CGADMP CC[C@@H]1C[C@@H](N(C(C)C)[C@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246593376 804435844 /nfs/dbraw/zinc/43/58/44/804435844.db2.gz MQNMDYDODSFEPZ-MHORFTMASA-N 2 1 295.515 3.148 20 0 CGADMP Nc1[nH+]cccc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001212399958 815017873 /nfs/dbraw/zinc/01/78/73/815017873.db2.gz OQIQOEAXJMGJBE-UHFFFAOYSA-N 2 1 282.391 3.393 20 0 CGADMP CCSC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246602128 804440003 /nfs/dbraw/zinc/44/00/03/804440003.db2.gz KDXHFWOBNCHASN-HZPDHXFCSA-N 2 1 284.513 3.374 20 0 CGADMP CC(C)C1CCC([N@@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001246602048 804440479 /nfs/dbraw/zinc/44/04/79/804440479.db2.gz IIMAQKUTSAUVAA-GPANFISMSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001246602048 804440481 /nfs/dbraw/zinc/44/04/81/804440481.db2.gz IIMAQKUTSAUVAA-GPANFISMSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246606811 804442233 /nfs/dbraw/zinc/44/22/33/804442233.db2.gz BXUJUPNVSXJARF-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246613747 804446229 /nfs/dbraw/zinc/44/62/29/804446229.db2.gz MDKIQFMXWAGAEY-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)C1 ZINC001246616422 804450240 /nfs/dbraw/zinc/45/02/40/804450240.db2.gz WHKKOKMWGZMOLG-GDBMZVCRSA-N 2 1 250.430 3.173 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3CCC[C@@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246615512 804450793 /nfs/dbraw/zinc/45/07/93/804450793.db2.gz WLFJDMQAAUFPGK-FGTMMUONSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CCC[C@@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246615512 804450800 /nfs/dbraw/zinc/45/08/00/804450800.db2.gz WLFJDMQAAUFPGK-FGTMMUONSA-N 2 1 270.420 3.151 20 0 CGADMP CCCCCC[C@H](CCCC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246616652 804451325 /nfs/dbraw/zinc/45/13/25/804451325.db2.gz ZLWKTCOQDIXXFF-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001246616618 804452156 /nfs/dbraw/zinc/45/21/56/804452156.db2.gz YSOGNGKDVLRMKL-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246623707 804455979 /nfs/dbraw/zinc/45/59/79/804455979.db2.gz MNEVRPJYGBYHPQ-IRXDYDNUSA-N 2 1 284.447 3.254 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)C1 ZINC001246623464 804456078 /nfs/dbraw/zinc/45/60/78/804456078.db2.gz TXNCGBLCRCESDW-GOEBONIOSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001246625723 804456789 /nfs/dbraw/zinc/45/67/89/804456789.db2.gz SNJIZFGYOYTIOO-HLLBOEOZSA-N 2 1 290.476 3.159 20 0 CGADMP CCCCCC1CCC([N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246628739 804458926 /nfs/dbraw/zinc/45/89/26/804458926.db2.gz DCAYBBKDMRFNNB-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246630984 804460616 /nfs/dbraw/zinc/46/06/16/804460616.db2.gz QKOYMHQDXZYHIT-QFBILLFUSA-N 2 1 286.463 3.256 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246631762 804462146 /nfs/dbraw/zinc/46/21/46/804462146.db2.gz RWTHUTNHLULPOK-CEXWTWQISA-N 2 1 284.447 3.398 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246632053 804462745 /nfs/dbraw/zinc/46/27/45/804462745.db2.gz UEAXIDDMZDIGHJ-PKOBYXMFSA-N 2 1 286.463 3.392 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246632213 804462857 /nfs/dbraw/zinc/46/28/57/804462857.db2.gz VEQBRFOEADFZKZ-JYSRZZCRSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246632213 804462861 /nfs/dbraw/zinc/46/28/61/804462861.db2.gz VEQBRFOEADFZKZ-JYSRZZCRSA-N 2 1 270.420 3.007 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246635982 804465699 /nfs/dbraw/zinc/46/56/99/804465699.db2.gz JUIAMRIPZPUSAR-GBESFXJTSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246635982 804465701 /nfs/dbraw/zinc/46/57/01/804465701.db2.gz JUIAMRIPZPUSAR-GBESFXJTSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[C@@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246639740 804467814 /nfs/dbraw/zinc/46/78/14/804467814.db2.gz PTKBLAIFYOAWGV-ZIAGYGMSSA-N 2 1 274.399 3.276 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246643225 804470465 /nfs/dbraw/zinc/47/04/65/804470465.db2.gz WYHSWXUTQGTIKB-GBESFXJTSA-N 2 1 286.463 3.328 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246643641 804470639 /nfs/dbraw/zinc/47/06/39/804470639.db2.gz ZVKKGTBFODUKJZ-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246647883 804476035 /nfs/dbraw/zinc/47/60/35/804476035.db2.gz UVCMAKSYLMXMCA-AWEZNQCLSA-N 2 1 292.854 3.489 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246654171 804479979 /nfs/dbraw/zinc/47/99/79/804479979.db2.gz VHMKBPJEDFERLZ-XMTFNYHQSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246657735 804482155 /nfs/dbraw/zinc/48/21/55/804482155.db2.gz IALRQPQCXFVYMM-KFNAQCHYSA-N 2 1 296.817 3.094 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246657735 804482157 /nfs/dbraw/zinc/48/21/57/804482157.db2.gz IALRQPQCXFVYMM-KFNAQCHYSA-N 2 1 296.817 3.094 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660454 804483292 /nfs/dbraw/zinc/48/32/92/804483292.db2.gz UGRKFDSBGJDEFN-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660454 804483294 /nfs/dbraw/zinc/48/32/94/804483294.db2.gz UGRKFDSBGJDEFN-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC001246660922 804483826 /nfs/dbraw/zinc/48/38/26/804483826.db2.gz QLEGPHZAROLINS-XWSJACJDSA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661407 804485269 /nfs/dbraw/zinc/48/52/69/804485269.db2.gz WVDJCPVWBIECKP-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661407 804485270 /nfs/dbraw/zinc/48/52/70/804485270.db2.gz WVDJCPVWBIECKP-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC001246668752 804487674 /nfs/dbraw/zinc/48/76/74/804487674.db2.gz OILGHQIKHCNQQS-WJFTUGDTSA-N 2 1 284.447 3.254 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246669531 804488040 /nfs/dbraw/zinc/48/80/40/804488040.db2.gz BDWSGVXNZYQRQF-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246676713 804491347 /nfs/dbraw/zinc/49/13/47/804491347.db2.gz FUOIEYNXQVNLHV-IEBWSBKVSA-N 2 1 286.463 3.329 20 0 CGADMP CCCC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677376 804491591 /nfs/dbraw/zinc/49/15/91/804491591.db2.gz ICBQMPQUIPDSLL-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246689367 804497375 /nfs/dbraw/zinc/49/73/75/804497375.db2.gz JIWSQVDRWORHBQ-XHSDSOJGSA-N 2 1 270.436 3.369 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246767226 804501671 /nfs/dbraw/zinc/50/16/71/804501671.db2.gz ASZVZHDGBARANK-HNNXBMFYSA-N 2 1 278.827 3.447 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@@H]1C ZINC001246787907 804511530 /nfs/dbraw/zinc/51/15/30/804511530.db2.gz FSOSRAOTJLTPIT-NUWOQIAWSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]1C ZINC001246788658 804514414 /nfs/dbraw/zinc/51/44/14/804514414.db2.gz HQUULZYXMGSAKF-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246793936 804517726 /nfs/dbraw/zinc/51/77/26/804517726.db2.gz FCANEEXTTJESJR-IAGOWNOFSA-N 2 1 274.452 3.328 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246793302 804517877 /nfs/dbraw/zinc/51/78/77/804517877.db2.gz UTHLAUWJWSTREX-RBUKOAKNSA-N 2 1 298.474 3.473 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246796632 804520250 /nfs/dbraw/zinc/52/02/50/804520250.db2.gz MTEMHTZYDFOTTP-IAGOWNOFSA-N 2 1 260.425 3.069 20 0 CGADMP COc1ccccc1CC[N@@H+](C)Cc1c[nH]c2ccncc12 ZINC001140807353 804524656 /nfs/dbraw/zinc/52/46/56/804524656.db2.gz WBOBKZYPTQZEAG-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP COc1ccccc1CC[N@H+](C)Cc1cnc2cc[nH]cc1-2 ZINC001140807353 804524659 /nfs/dbraw/zinc/52/46/59/804524659.db2.gz WBOBKZYPTQZEAG-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP COc1ccccc1CC[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807353 804524665 /nfs/dbraw/zinc/52/46/65/804524665.db2.gz WBOBKZYPTQZEAG-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP COc1ccccc1CC[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807353 804524667 /nfs/dbraw/zinc/52/46/67/804524667.db2.gz WBOBKZYPTQZEAG-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2[C@@H]2CCC[NH2+]CC2)c1 ZINC001246807641 804524850 /nfs/dbraw/zinc/52/48/50/804524850.db2.gz OOBXFENHNJFKGV-AEFFLSMTSA-N 2 1 288.435 3.364 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[C@@H](C)C1 ZINC001246809852 804526740 /nfs/dbraw/zinc/52/67/40/804526740.db2.gz LDNKMQXAGKSOFD-QKPAOTATSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246812998 804529674 /nfs/dbraw/zinc/52/96/74/804529674.db2.gz HFRDSJQZFCDTMJ-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](Cc1ccsc1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246813358 804530731 /nfs/dbraw/zinc/53/07/31/804530731.db2.gz IQOAARSGBBGFJG-UHFFFAOYSA-N 2 1 278.465 3.492 20 0 CGADMP c1ccc2c(c1)CCC[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246818168 804533645 /nfs/dbraw/zinc/53/36/45/804533645.db2.gz XMDDBUUYXRKVIC-SFHVURJKSA-N 2 1 284.447 3.357 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001246823254 804536485 /nfs/dbraw/zinc/53/64/85/804536485.db2.gz NHZITYDLERCRBA-WCQYABFASA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001246823254 804536489 /nfs/dbraw/zinc/53/64/89/804536489.db2.gz NHZITYDLERCRBA-WCQYABFASA-N 2 1 286.341 3.278 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246822669 804536528 /nfs/dbraw/zinc/53/65/28/804536528.db2.gz MIZQSLDOJJEIQE-QGPMSJSTSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCc3ccc(F)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246827389 804538676 /nfs/dbraw/zinc/53/86/76/804538676.db2.gz KUIMLWHUJBBEHE-IAGOWNOFSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCc3ccc(F)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246827389 804538680 /nfs/dbraw/zinc/53/86/80/804538680.db2.gz KUIMLWHUJBBEHE-IAGOWNOFSA-N 2 1 290.426 3.493 20 0 CGADMP CCCCC(CCCC)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246833464 804543103 /nfs/dbraw/zinc/54/31/03/804543103.db2.gz AHLMZQMSJADHCQ-UHFFFAOYSA-N 2 1 284.488 3.436 20 0 CGADMP COCC[N@@H+](C(CC(C)C)CC(C)C)C1CC[NH2+]CC1 ZINC001246838658 804545642 /nfs/dbraw/zinc/54/56/42/804545642.db2.gz ZPEPHKBPKUWUIT-UHFFFAOYSA-N 2 1 284.488 3.148 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246840713 804549636 /nfs/dbraw/zinc/54/96/36/804549636.db2.gz JKFHBBFUZAKUJX-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246841208 804550495 /nfs/dbraw/zinc/55/04/95/804550495.db2.gz MZXIULVGMNISPO-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP C1CC12CCCC[N@H+]2C1CCC2(CCC[NH2+]C2)CC1 ZINC001246844574 804551569 /nfs/dbraw/zinc/55/15/69/804551569.db2.gz JQEFKJYJELCZTC-UHFFFAOYSA-N 2 1 262.441 3.317 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246844333 804551869 /nfs/dbraw/zinc/55/18/69/804551869.db2.gz IWUPNBIXRUGCKN-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP CCC(CC)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246847537 804556873 /nfs/dbraw/zinc/55/68/73/804556873.db2.gz TYCZCUVMMCGDNJ-FUHWJXTLSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](Cc2ccccn2)C2CCCCC2)CC[NH2+]1 ZINC001246848184 804558308 /nfs/dbraw/zinc/55/83/08/804558308.db2.gz XGIBJZFERSHTRG-MAUKXSAKSA-N 2 1 287.451 3.357 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246848810 804558571 /nfs/dbraw/zinc/55/85/71/804558571.db2.gz OILUNXLMEFVVJJ-BZUAXINKSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246849038 804560416 /nfs/dbraw/zinc/56/04/16/804560416.db2.gz YTBFOSHJNZSTOY-WKULXVSPSA-N 2 1 294.483 3.248 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+]2CCCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246852680 804561297 /nfs/dbraw/zinc/56/12/97/804561297.db2.gz JOIASBLBURAAKX-VUROTCPHSA-N 2 1 282.447 3.367 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246852680 804561304 /nfs/dbraw/zinc/56/13/04/804561304.db2.gz JOIASBLBURAAKX-VUROTCPHSA-N 2 1 282.447 3.367 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)CC[NH2+]1 ZINC001246857019 804563861 /nfs/dbraw/zinc/56/38/61/804563861.db2.gz YXMTWCWLRNSTSP-JYJNAYRXSA-N 2 1 282.447 3.367 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)CSc2ccc(C)cc2)C1 ZINC001246860896 804565482 /nfs/dbraw/zinc/56/54/82/804565482.db2.gz CEKLHTJOWKTIEQ-CABCVRRESA-N 2 1 278.465 3.017 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC001246859946 804565710 /nfs/dbraw/zinc/56/57/10/804565710.db2.gz MVUQIBMMZSDUDA-ZWKOTPCHSA-N 2 1 272.436 3.428 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246869903 804570973 /nfs/dbraw/zinc/57/09/73/804570973.db2.gz XHBUVVHJWNJUBC-UNEWFSDZSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246873590 804573140 /nfs/dbraw/zinc/57/31/40/804573140.db2.gz UEEAUCWGNJQOGT-LZQZEXGQSA-N 2 1 284.447 3.356 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246873924 804573473 /nfs/dbraw/zinc/57/34/73/804573473.db2.gz VDLBMLLJVIPUPQ-YWIABWOTSA-N 2 1 250.430 3.014 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246873924 804573477 /nfs/dbraw/zinc/57/34/77/804573477.db2.gz VDLBMLLJVIPUPQ-YWIABWOTSA-N 2 1 250.430 3.014 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246875225 804574536 /nfs/dbraw/zinc/57/45/36/804574536.db2.gz ZIYLBHCWBUOFNS-MSOLQXFVSA-N 2 1 295.515 3.233 20 0 CGADMP CCCC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)CCN1 ZINC001246888384 804580966 /nfs/dbraw/zinc/58/09/66/804580966.db2.gz AKWDBMNMIPVMSN-WWDZGPRUSA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[C@@H]1CN(C2CCC([NH+](CC)CC)CC2)CC[NH2+]1 ZINC001246888384 804580972 /nfs/dbraw/zinc/58/09/72/804580972.db2.gz AKWDBMNMIPVMSN-WWDZGPRUSA-N 2 1 295.515 3.103 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246890878 804583147 /nfs/dbraw/zinc/58/31/47/804583147.db2.gz VWVUHYGPDKKAQV-INIZCTEOSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246899134 804587010 /nfs/dbraw/zinc/58/70/10/804587010.db2.gz PMVLCRFUTQEKGD-VBNZEHGJSA-N 2 1 262.372 3.103 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001246917599 804599165 /nfs/dbraw/zinc/59/91/65/804599165.db2.gz ROYWSHVDGYKDJI-TVRKMHQQSA-N 2 1 284.447 3.236 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001246917599 804599171 /nfs/dbraw/zinc/59/91/71/804599171.db2.gz ROYWSHVDGYKDJI-TVRKMHQQSA-N 2 1 284.447 3.236 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246933124 804606579 /nfs/dbraw/zinc/60/65/79/804606579.db2.gz QFYUMPKFXVAAMH-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C(CC(C)C)CC(C)C ZINC001246944078 804612782 /nfs/dbraw/zinc/61/27/82/804612782.db2.gz TUKNWEUFLGGADM-OAHLLOKOSA-N 2 1 254.462 3.379 20 0 CGADMP CCCCCC[C@@H](CCC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947225 804614070 /nfs/dbraw/zinc/61/40/70/804614070.db2.gz JTEZDLQQKHOAPH-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](Cc1ccco1)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246945678 804614254 /nfs/dbraw/zinc/61/42/54/804614254.db2.gz HVIKVPHECPVAGZ-CQSZACIVSA-N 2 1 278.440 3.311 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246964954 804619318 /nfs/dbraw/zinc/61/93/18/804619318.db2.gz DPEAKLKZURCGHF-MOPGFXCFSA-N 2 1 284.447 3.275 20 0 CGADMP C1CC([N@@H+](C2CC[NH2+]CC2)C2CCCCCC2)C1 ZINC001246973049 804622391 /nfs/dbraw/zinc/62/23/91/804622391.db2.gz FDCYQSCFSGOVQV-UHFFFAOYSA-N 2 1 250.430 3.316 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(-n2ccnc2)c1)C1CCOCC1 ZINC001141245835 804623852 /nfs/dbraw/zinc/62/38/52/804623852.db2.gz SIPKWQMBYJBAKE-UHFFFAOYSA-N 2 1 299.418 3.262 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246977228 804623842 /nfs/dbraw/zinc/62/38/42/804623842.db2.gz SAUONMYGJBBROP-XWTMOSNGSA-N 2 1 272.436 3.067 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246973861 804624674 /nfs/dbraw/zinc/62/46/74/804624674.db2.gz IWESNORHGBEOTM-WJFTUGDTSA-N 2 1 286.463 3.313 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246973596 804624832 /nfs/dbraw/zinc/62/48/32/804624832.db2.gz GTQUYBINWJJVNU-HALDLXJZSA-N 2 1 264.457 3.418 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246979602 804627186 /nfs/dbraw/zinc/62/71/86/804627186.db2.gz ZUBYZZVGGZTGQP-GVRJEKJASA-N 2 1 252.446 3.260 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246980778 804627759 /nfs/dbraw/zinc/62/77/59/804627759.db2.gz SOCWVYMGZDLQIQ-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001246988507 804630811 /nfs/dbraw/zinc/63/08/11/804630811.db2.gz HQMHITUNIMTEMF-NSHDSACASA-N 2 1 290.329 3.015 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001246991061 804631557 /nfs/dbraw/zinc/63/15/57/804631557.db2.gz KTWKLXCPKDYQJR-CAOSSQGBSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001247001272 804634000 /nfs/dbraw/zinc/63/40/00/804634000.db2.gz HARNQAMMWKMMRJ-OJHJNGDYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](CC1CC1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247004548 804635929 /nfs/dbraw/zinc/63/59/29/804635929.db2.gz MNYMAJPZLSWUPX-HNNXBMFYSA-N 2 1 284.447 3.312 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257083119 807047283 /nfs/dbraw/zinc/04/72/83/807047283.db2.gz FSDAHQRCOAXFGY-XLMAVXFVSA-N 2 1 290.451 3.039 20 0 CGADMP CC(C)c1ccc(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]c1 ZINC001155023966 805525270 /nfs/dbraw/zinc/52/52/70/805525270.db2.gz GJCSNHVYYIGVKF-HIFRSBDPSA-N 2 1 261.413 3.253 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cccc(C2CC2)[nH+]1 ZINC001155028606 805526310 /nfs/dbraw/zinc/52/63/10/805526310.db2.gz DGRLGTUBYHEPHR-TZMCWYRMSA-N 2 1 259.397 3.007 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001155031169 805527931 /nfs/dbraw/zinc/52/79/31/805527931.db2.gz SPSNCTURPOLSIJ-OLZOCXBDSA-N 2 1 298.434 3.099 20 0 CGADMP CC(C)[N@@H+](CC1CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861157 806992245 /nfs/dbraw/zinc/99/22/45/806992245.db2.gz PZGSTTPLTMBDLE-UHFFFAOYSA-N 2 1 273.424 3.171 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC001256854974 806992416 /nfs/dbraw/zinc/99/24/16/806992416.db2.gz CCKXQVYGYZRPRW-HZPDHXFCSA-N 2 1 287.451 3.418 20 0 CGADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCN(C(C)C)CC2)CC1 ZINC001257213734 807061704 /nfs/dbraw/zinc/06/17/04/807061704.db2.gz UIVVXSCHDNRWLD-MAEOIBBWSA-N 2 1 295.515 3.102 20 0 CGADMP CCC(CC)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001257288773 807088170 /nfs/dbraw/zinc/08/81/70/807088170.db2.gz HSSIIVVNUUGFFH-UHFFFAOYSA-N 2 1 261.413 3.137 20 0 CGADMP CCC[C@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001257308191 807098569 /nfs/dbraw/zinc/09/85/69/807098569.db2.gz KNNLAVJFCPSCMV-AWEZNQCLSA-N 2 1 261.413 3.137 20 0 CGADMP CCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257321967 807106620 /nfs/dbraw/zinc/10/66/20/807106620.db2.gz PBJZULQVJBUMDX-GJZGRUSLSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257321967 807106625 /nfs/dbraw/zinc/10/66/25/807106625.db2.gz PBJZULQVJBUMDX-GJZGRUSLSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257321967 807106629 /nfs/dbraw/zinc/10/66/29/807106629.db2.gz PBJZULQVJBUMDX-GJZGRUSLSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257321967 807106635 /nfs/dbraw/zinc/10/66/35/807106635.db2.gz PBJZULQVJBUMDX-GJZGRUSLSA-N 2 1 292.471 3.289 20 0 CGADMP CC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001257443839 807159967 /nfs/dbraw/zinc/15/99/67/807159967.db2.gz DMXWOOVGWALASG-OAHLLOKOSA-N 2 1 276.424 3.366 20 0 CGADMP Cc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)c2[nH+]ccn2c1 ZINC001167624849 807217743 /nfs/dbraw/zinc/21/77/43/807217743.db2.gz HJPYIQFHMTXTEG-UHFFFAOYSA-N 2 1 286.423 3.127 20 0 CGADMP Cc1cc2[nH+]ccn2cc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167753761 807244090 /nfs/dbraw/zinc/24/40/90/807244090.db2.gz QGSZLIIWAKIBGG-HNNXBMFYSA-N 2 1 286.423 3.319 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([NH+](CC)CC)CC1 ZINC001167826517 807256260 /nfs/dbraw/zinc/25/62/60/807256260.db2.gz PLWKXBDHIVMAIV-KRWDZBQOSA-N 2 1 297.531 3.303 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1nccs1 ZINC001167838073 807259198 /nfs/dbraw/zinc/25/91/98/807259198.db2.gz PHQBPVXZSCCIPR-ZDUSSCGKSA-N 2 1 269.458 3.085 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC001258051112 807277127 /nfs/dbraw/zinc/27/71/27/807277127.db2.gz HZFBPJOEOXIKME-KGLIPLIRSA-N 2 1 251.418 3.242 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001258053197 807279925 /nfs/dbraw/zinc/27/99/25/807279925.db2.gz UYFWKJBMMGFMDM-ARFHVFGLSA-N 2 1 254.462 3.379 20 0 CGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951821 807281201 /nfs/dbraw/zinc/28/12/01/807281201.db2.gz LLYLVBSAUFQLDB-YRPNKDGESA-N 2 1 296.458 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951821 807281208 /nfs/dbraw/zinc/28/12/08/807281208.db2.gz LLYLVBSAUFQLDB-YRPNKDGESA-N 2 1 296.458 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951821 807281212 /nfs/dbraw/zinc/28/12/12/807281212.db2.gz LLYLVBSAUFQLDB-YRPNKDGESA-N 2 1 296.458 3.383 20 0 CGADMP F[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167958110 807286667 /nfs/dbraw/zinc/28/66/67/807286667.db2.gz CCEAGIYOSVSTIL-DQIHPLBOSA-N 2 1 280.431 3.120 20 0 CGADMP c1ccc2c(c1)CC([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167960262 807286772 /nfs/dbraw/zinc/28/67/72/807286772.db2.gz XEHKQNSINUKKRE-IHWFROFDSA-N 2 1 296.458 3.149 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258068233 807287399 /nfs/dbraw/zinc/28/73/99/807287399.db2.gz VMSCBKCRQUJJOI-CVEARBPZSA-N 2 1 284.488 3.148 20 0 CGADMP c1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167984774 807290917 /nfs/dbraw/zinc/29/09/17/807290917.db2.gz RIEKDVAJHQKRFK-DFNIBXOVSA-N 2 1 282.431 3.408 20 0 CGADMP CO[C@@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168023784 807299816 /nfs/dbraw/zinc/29/98/16/807299816.db2.gz XXAMCZKXBSFDIN-DFGXFYAUSA-N 2 1 290.451 3.053 20 0 CGADMP COC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009122 807300147 /nfs/dbraw/zinc/30/01/47/807300147.db2.gz YOKGPAXICFUIHF-XLMAVXFVSA-N 2 1 290.451 3.053 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001168188714 807340160 /nfs/dbraw/zinc/34/01/60/807340160.db2.gz MXIMLUWQZFKVRD-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001168188714 807340167 /nfs/dbraw/zinc/34/01/67/807340167.db2.gz MXIMLUWQZFKVRD-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001168188714 807340175 /nfs/dbraw/zinc/34/01/75/807340175.db2.gz MXIMLUWQZFKVRD-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP CSCC[C@@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001258220743 807370452 /nfs/dbraw/zinc/37/04/52/807370452.db2.gz YBIYZKDQPVIFCL-CVEARBPZSA-N 2 1 284.513 3.468 20 0 CGADMP Cc1cccc(CC[N@H+](C)C2CCC([NH+](C)C)CC2)c1 ZINC001168324742 807383023 /nfs/dbraw/zinc/38/30/23/807383023.db2.gz VXXSPXCEDOZOCB-UHFFFAOYSA-N 2 1 274.452 3.342 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001168324186 807384036 /nfs/dbraw/zinc/38/40/36/807384036.db2.gz JCVXVQFBABRFCK-LMPOIIKSSA-N 2 1 250.430 3.124 20 0 CGADMP CC1(C)CCC[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001258286840 807398126 /nfs/dbraw/zinc/39/81/26/807398126.db2.gz MSZUMKPSXBBSBB-MRXNPFEDSA-N 2 1 276.468 3.373 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293691 807401771 /nfs/dbraw/zinc/40/17/71/807401771.db2.gz POQLLBYAJDWLGH-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293691 807401773 /nfs/dbraw/zinc/40/17/73/807401773.db2.gz POQLLBYAJDWLGH-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293691 807401776 /nfs/dbraw/zinc/40/17/76/807401776.db2.gz POQLLBYAJDWLGH-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001258303661 807404353 /nfs/dbraw/zinc/40/43/53/807404353.db2.gz VZEHVNFPZQTRGX-ZIAGYGMSSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001258303661 807404357 /nfs/dbraw/zinc/40/43/57/807404357.db2.gz VZEHVNFPZQTRGX-ZIAGYGMSSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001258303601 807404398 /nfs/dbraw/zinc/40/43/98/807404398.db2.gz VBEHKBWRDHUSQP-KGLIPLIRSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001258303601 807404402 /nfs/dbraw/zinc/40/44/02/807404402.db2.gz VBEHKBWRDHUSQP-KGLIPLIRSA-N 2 1 296.480 3.493 20 0 CGADMP CCC[NH+](CCC)CC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168400546 807405377 /nfs/dbraw/zinc/40/53/77/807405377.db2.gz OKHVUSNYEFFFTJ-GOSISDBHSA-N 2 1 292.442 3.395 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001258391424 807436764 /nfs/dbraw/zinc/43/67/64/807436764.db2.gz ZVZLVJVQPRJKHK-RDJZCZTQSA-N 2 1 290.451 3.090 20 0 CGADMP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001258599352 807498379 /nfs/dbraw/zinc/49/83/79/807498379.db2.gz ZJCPUZQDXASKMH-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001258599352 807498383 /nfs/dbraw/zinc/49/83/83/807498383.db2.gz ZJCPUZQDXASKMH-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC001258606895 807504236 /nfs/dbraw/zinc/50/42/36/807504236.db2.gz DRLLWQILKCPETK-KRWDZBQOSA-N 2 1 294.483 3.140 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258661011 807529512 /nfs/dbraw/zinc/52/95/12/807529512.db2.gz MUZPAQUZDZHLBM-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258661011 807529516 /nfs/dbraw/zinc/52/95/16/807529516.db2.gz MUZPAQUZDZHLBM-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)n1c[nH+]cc1CC[NH3+] ZINC001258671611 807536695 /nfs/dbraw/zinc/53/66/95/807536695.db2.gz BFYIAJXMPJJHBS-SNVBAGLBSA-N 2 1 298.217 3.495 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001258701874 807556291 /nfs/dbraw/zinc/55/62/91/807556291.db2.gz NSFZOILDLOKQSP-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1ccc(C)c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169078733 807567031 /nfs/dbraw/zinc/56/70/31/807567031.db2.gz FPYQXDMFTXHLBS-BCDXTJNWSA-N 2 1 272.436 3.061 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169081289 807569444 /nfs/dbraw/zinc/56/94/44/807569444.db2.gz PUSWMLUQFRNZNW-QKPAOTATSA-N 2 1 286.419 3.033 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169081289 807569447 /nfs/dbraw/zinc/56/94/47/807569447.db2.gz PUSWMLUQFRNZNW-QKPAOTATSA-N 2 1 286.419 3.033 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001169091849 807570566 /nfs/dbraw/zinc/57/05/66/807570566.db2.gz WFKQHTBCHDSZGG-QKDCVEJESA-N 2 1 278.827 3.363 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001169093457 807573039 /nfs/dbraw/zinc/57/30/39/807573039.db2.gz HUNLLMINKBHKEK-NNZMDNLPSA-N 2 1 272.436 3.061 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169096174 807574200 /nfs/dbraw/zinc/57/42/00/807574200.db2.gz VMNZICGZCCPDDQ-BJWYYQGGSA-N 2 1 288.435 3.189 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169096174 807574207 /nfs/dbraw/zinc/57/42/07/807574207.db2.gz VMNZICGZCCPDDQ-BJWYYQGGSA-N 2 1 288.435 3.189 20 0 CGADMP CC(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169108326 807578549 /nfs/dbraw/zinc/57/85/49/807578549.db2.gz RCNMFISNEPBIQM-GYIHYUDTSA-N 2 1 286.419 3.165 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3)CC1)C2 ZINC001169115752 807580936 /nfs/dbraw/zinc/58/09/36/807580936.db2.gz OGEZSICSBVIQMH-BCDXTJNWSA-N 2 1 284.447 3.224 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001169112890 807581223 /nfs/dbraw/zinc/58/12/23/807581223.db2.gz ULFVEIIEDFVACV-PHZGNYQRSA-N 2 1 274.383 3.030 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001169112890 807581227 /nfs/dbraw/zinc/58/12/27/807581227.db2.gz ULFVEIIEDFVACV-PHZGNYQRSA-N 2 1 274.383 3.030 20 0 CGADMP CC(C)C[NH+](CC(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125361 807585680 /nfs/dbraw/zinc/58/56/80/807585680.db2.gz ZUDRCFFGPVTUGU-MUJYYYPQSA-N 2 1 252.446 3.226 20 0 CGADMP COc1cccc([C@@H](C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169123412 807586250 /nfs/dbraw/zinc/58/62/50/807586250.db2.gz LAKWCZNJZXVWRP-LLLHUVSDSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)n1cc[nH+]c1CCC[NH3+] ZINC001258743530 807587636 /nfs/dbraw/zinc/58/76/36/807587636.db2.gz GBOTUCOLEKDFMR-GFCCVEGCSA-N 2 1 277.799 3.232 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccc(F)cc3)C1)C2 ZINC001169143454 807591054 /nfs/dbraw/zinc/59/10/54/807591054.db2.gz FPNAIHVUOXFRLU-BGTYHANMSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3ccc(F)cc3)C1)C2 ZINC001169143454 807591056 /nfs/dbraw/zinc/59/10/56/807591056.db2.gz FPNAIHVUOXFRLU-BGTYHANMSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3ccc(F)cc3)C1)C2 ZINC001169143454 807591059 /nfs/dbraw/zinc/59/10/59/807591059.db2.gz FPNAIHVUOXFRLU-BGTYHANMSA-N 2 1 288.410 3.240 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258752048 807593415 /nfs/dbraw/zinc/59/34/15/807593415.db2.gz ZQYMDPFYTOCZOY-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258752048 807593421 /nfs/dbraw/zinc/59/34/21/807593421.db2.gz ZQYMDPFYTOCZOY-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258752048 807593425 /nfs/dbraw/zinc/59/34/25/807593425.db2.gz ZQYMDPFYTOCZOY-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258752048 807593429 /nfs/dbraw/zinc/59/34/29/807593429.db2.gz ZQYMDPFYTOCZOY-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258798727 807620452 /nfs/dbraw/zinc/62/04/52/807620452.db2.gz XZLPAGZFDLNCEK-XUWVNRHRSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001258804932 807624954 /nfs/dbraw/zinc/62/49/54/807624954.db2.gz CXSKZDPTQZDTGO-OFLPRAFFSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C1CCC([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001258804932 807624957 /nfs/dbraw/zinc/62/49/57/807624957.db2.gz CXSKZDPTQZDTGO-OFLPRAFFSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C1CCC([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001258804932 807624963 /nfs/dbraw/zinc/62/49/63/807624963.db2.gz CXSKZDPTQZDTGO-OFLPRAFFSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001258908352 807672784 /nfs/dbraw/zinc/67/27/84/807672784.db2.gz VHKDIKIVAJORHF-KKUMJFAQSA-N 2 1 258.425 3.177 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001258910966 807674147 /nfs/dbraw/zinc/67/41/47/807674147.db2.gz YASKSROYFFVDTQ-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP Cc1cc[nH+]c(C)c1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212804351 815142925 /nfs/dbraw/zinc/14/29/25/815142925.db2.gz YMCYSLQYWIVIJX-UHFFFAOYSA-N 2 1 285.391 3.382 20 0 CGADMP CC(C)CCC[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001170089710 807754741 /nfs/dbraw/zinc/75/47/41/807754741.db2.gz BAMDNQVMGYFPNE-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170122398 807767527 /nfs/dbraw/zinc/76/75/27/807767527.db2.gz QBMAJZOUXYMGDM-DDBAPUKQSA-N 2 1 287.451 3.342 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC001170145611 807775008 /nfs/dbraw/zinc/77/50/08/807775008.db2.gz UVJXAXPORXFGEJ-ZBFHGGJFSA-N 2 1 252.446 3.227 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CCO1 ZINC001170183429 807788181 /nfs/dbraw/zinc/78/81/81/807788181.db2.gz SASPOBOGRIERST-KBAYOESNSA-N 2 1 290.451 3.041 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CCO1 ZINC001170183428 807788255 /nfs/dbraw/zinc/78/82/55/807788255.db2.gz SASPOBOGRIERST-CGTJXYLNSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C)CCC[NH+](C)C ZINC001170267068 807811258 /nfs/dbraw/zinc/81/12/58/807811258.db2.gz UGJPTCUHOLPUTH-CYBMUJFWSA-N 2 1 268.832 3.155 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001170288169 807815504 /nfs/dbraw/zinc/81/55/04/807815504.db2.gz LZRWGHPEZGIGCJ-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001170288169 807815513 /nfs/dbraw/zinc/81/55/13/807815513.db2.gz LZRWGHPEZGIGCJ-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001170288169 807815522 /nfs/dbraw/zinc/81/55/22/807815522.db2.gz LZRWGHPEZGIGCJ-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001170288169 807815526 /nfs/dbraw/zinc/81/55/26/807815526.db2.gz LZRWGHPEZGIGCJ-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001262379422 807862866 /nfs/dbraw/zinc/86/28/66/807862866.db2.gz ZVLMGBDOIDFQAD-RRFJBIMHSA-N 2 1 278.465 3.219 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001262379424 807863378 /nfs/dbraw/zinc/86/33/78/807863378.db2.gz ZVLMGBDOIDFQAD-ZNMIVQPWSA-N 2 1 278.465 3.219 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715951 807882950 /nfs/dbraw/zinc/88/29/50/807882950.db2.gz NETQRBAMXYJCQD-QKDCVEJESA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170758318 807899669 /nfs/dbraw/zinc/89/96/69/807899669.db2.gz PCLBMFWVRSQROX-OSYLJGHBSA-N 2 1 278.484 3.473 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171011384 807959957 /nfs/dbraw/zinc/95/99/57/807959957.db2.gz DCUOLRVXIBEYTL-CQSZACIVSA-N 2 1 280.843 3.258 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC001171551997 808093415 /nfs/dbraw/zinc/09/34/15/808093415.db2.gz UAURDROGLYAGNY-WMZOPIPTSA-N 2 1 286.463 3.174 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001171579044 808104029 /nfs/dbraw/zinc/10/40/29/808104029.db2.gz NHQOICXISDIAJT-SFHVURJKSA-N 2 1 284.447 3.022 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H](F)C2)CC1(C)C ZINC001171637862 808109260 /nfs/dbraw/zinc/10/92/60/808109260.db2.gz QJMGYKHLKMUELK-LBPRGKRZSA-N 2 1 256.409 3.072 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](F)C2)CC1(C)C ZINC001171637862 808109264 /nfs/dbraw/zinc/10/92/64/808109264.db2.gz QJMGYKHLKMUELK-LBPRGKRZSA-N 2 1 256.409 3.072 20 0 CGADMP Cc1ncccc1C[N@@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640565 808111092 /nfs/dbraw/zinc/11/10/92/808111092.db2.gz FJGSGCLIQPIIBS-UHFFFAOYSA-N 2 1 289.467 3.473 20 0 CGADMP Cc1ncccc1C[N@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640565 808111095 /nfs/dbraw/zinc/11/10/95/808111095.db2.gz FJGSGCLIQPIIBS-UHFFFAOYSA-N 2 1 289.467 3.473 20 0 CGADMP CC(C)[N@@H+](C)[C@H]1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171643993 808111818 /nfs/dbraw/zinc/11/18/18/808111818.db2.gz ZFJIMRNYVMWWAK-HNNXBMFYSA-N 2 1 295.515 3.052 20 0 CGADMP C[C@H]([NH3+])c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098674 808169926 /nfs/dbraw/zinc/16/99/26/808169926.db2.gz GMOQZPJBHOAGRT-BYNSBNAKSA-N 2 1 298.434 3.244 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172100258 808172231 /nfs/dbraw/zinc/17/22/31/808172231.db2.gz CJYUDTXFVAXJMX-BCDXTJNWSA-N 2 1 272.436 3.408 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])c3ccccc31)C2 ZINC001172099392 808172374 /nfs/dbraw/zinc/17/23/74/808172374.db2.gz KJHNYRMUYXEGOC-BJWYYQGGSA-N 2 1 297.446 3.330 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CCC3)C2 ZINC001172099597 808172777 /nfs/dbraw/zinc/17/27/77/808172777.db2.gz LJCQFMBYNASDSQ-REPLKXPHSA-N 2 1 284.447 3.280 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(F)(F)CC1)C2 ZINC001172099342 808172904 /nfs/dbraw/zinc/17/29/04/808172904.db2.gz JKODKOSNLAGUDG-ZSOGYDGISA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(F)(F)CC1)C2 ZINC001172099342 808172906 /nfs/dbraw/zinc/17/29/06/808172906.db2.gz JKODKOSNLAGUDG-ZSOGYDGISA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1CCCC1)C2 ZINC001172102963 808173988 /nfs/dbraw/zinc/17/39/88/808173988.db2.gz RBOTVJKAKKEAHH-MUJYYYPQSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC001172105957 808176239 /nfs/dbraw/zinc/17/62/39/808176239.db2.gz LPAMCDAWWVNHDL-BTTYYORXSA-N 2 1 280.362 3.070 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC001172105957 808176243 /nfs/dbraw/zinc/17/62/43/808176243.db2.gz LPAMCDAWWVNHDL-BTTYYORXSA-N 2 1 280.362 3.070 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106901 808177282 /nfs/dbraw/zinc/17/72/82/808177282.db2.gz QTRKXCLGKPIQEY-YHUYYLMFSA-N 2 1 273.424 3.056 20 0 CGADMP Cc1c(F)ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172109226 808178509 /nfs/dbraw/zinc/17/85/09/808178509.db2.gz IJCYVIWFQPMNBK-QKDCVEJESA-N 2 1 294.389 3.378 20 0 CGADMP Cc1c(F)ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172109226 808178511 /nfs/dbraw/zinc/17/85/11/808178511.db2.gz IJCYVIWFQPMNBK-QKDCVEJESA-N 2 1 294.389 3.378 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001172116579 808181478 /nfs/dbraw/zinc/18/14/78/808181478.db2.gz BKYZEOFQLCXMIG-DMRKSPOLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001172116579 808181483 /nfs/dbraw/zinc/18/14/83/808181483.db2.gz BKYZEOFQLCXMIG-DMRKSPOLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001172116579 808181487 /nfs/dbraw/zinc/18/14/87/808181487.db2.gz BKYZEOFQLCXMIG-DMRKSPOLSA-N 2 1 262.441 3.124 20 0 CGADMP CC(C)[N@H+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121522 808182626 /nfs/dbraw/zinc/18/26/26/808182626.db2.gz KHEXGUSRGKDSLT-ZSHCYNCHSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121522 808182629 /nfs/dbraw/zinc/18/26/29/808182629.db2.gz KHEXGUSRGKDSLT-ZSHCYNCHSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[NH+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121522 808182632 /nfs/dbraw/zinc/18/26/32/808182632.db2.gz KHEXGUSRGKDSLT-ZSHCYNCHSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[NH+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121522 808182636 /nfs/dbraw/zinc/18/26/36/808182636.db2.gz KHEXGUSRGKDSLT-ZSHCYNCHSA-N 2 1 250.430 3.122 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172122333 808183323 /nfs/dbraw/zinc/18/33/23/808183323.db2.gz PEKTYXJPJGCNRD-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172122333 808183326 /nfs/dbraw/zinc/18/33/26/808183326.db2.gz PEKTYXJPJGCNRD-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172122333 808183327 /nfs/dbraw/zinc/18/33/27/808183327.db2.gz PEKTYXJPJGCNRD-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172122333 808183329 /nfs/dbraw/zinc/18/33/29/808183329.db2.gz PEKTYXJPJGCNRD-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCO[C@@H](C)CC)C1 ZINC001172341319 808241545 /nfs/dbraw/zinc/24/15/45/808241545.db2.gz YVLUFHYEYKFODM-JYJNAYRXSA-N 2 1 284.488 3.433 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)CCO[C@@H](C)CC)C1 ZINC001172341319 808241550 /nfs/dbraw/zinc/24/15/50/808241550.db2.gz YVLUFHYEYKFODM-JYJNAYRXSA-N 2 1 284.488 3.433 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001172343485 808243294 /nfs/dbraw/zinc/24/32/94/808243294.db2.gz RWSALMLXEDZTCC-CVEARBPZSA-N 2 1 284.488 3.386 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172347309 808245945 /nfs/dbraw/zinc/24/59/45/808245945.db2.gz FCACUDYBMQJKJY-YESZJQIVSA-N 2 1 284.488 3.421 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@H]1C ZINC001172367800 808263307 /nfs/dbraw/zinc/26/33/07/808263307.db2.gz NHTKWCLQOIMLNT-OAGGEKHMSA-N 3 1 297.531 3.286 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCOCC(C)C)C1 ZINC001172463372 808333658 /nfs/dbraw/zinc/33/36/58/808333658.db2.gz NHVSQKNMHVTWRO-HOTGVXAUSA-N 2 1 284.488 3.290 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)CCOCC(C)C)C1 ZINC001172463372 808333663 /nfs/dbraw/zinc/33/36/63/808333663.db2.gz NHVSQKNMHVTWRO-HOTGVXAUSA-N 2 1 284.488 3.290 20 0 CGADMP CC(C)COCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172470796 808338631 /nfs/dbraw/zinc/33/86/31/808338631.db2.gz PEOUHQBIPQEVGB-QGZVFWFLSA-N 2 1 298.515 3.490 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564636 808391570 /nfs/dbraw/zinc/39/15/70/808391570.db2.gz XKTDOIASEUBDKF-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564636 808391578 /nfs/dbraw/zinc/39/15/78/808391578.db2.gz XKTDOIASEUBDKF-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564636 808391586 /nfs/dbraw/zinc/39/15/86/808391586.db2.gz XKTDOIASEUBDKF-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172842556 808457941 /nfs/dbraw/zinc/45/79/41/808457941.db2.gz RGBRTBDKUPTHCA-STQMWFEESA-N 2 1 298.833 3.484 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](C)C2)CC1 ZINC001173108972 808512640 /nfs/dbraw/zinc/51/26/40/808512640.db2.gz USWAHOFCRYWIFZ-QQFBHYJXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2COC)CC1 ZINC001173110098 808513413 /nfs/dbraw/zinc/51/34/13/808513413.db2.gz OSKHMYGQZFOIJE-JCYILVPMSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001173112686 808514068 /nfs/dbraw/zinc/51/40/68/808514068.db2.gz ZMQUTEDMTDNZST-NXSPZCGBSA-N 2 1 268.420 3.072 20 0 CGADMP CCc1ccc(C[C@@H](C)n2c(C)c[nH+]c2CC[NH3+])cc1 ZINC001173237879 808545671 /nfs/dbraw/zinc/54/56/71/808545671.db2.gz KLKWKHJKGPRECJ-CYBMUJFWSA-N 2 1 271.408 3.059 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001173236403 808545892 /nfs/dbraw/zinc/54/58/92/808545892.db2.gz WDGOVSYPXGCQPW-YJBOKZPZSA-N 2 1 274.452 3.254 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001173257837 808563660 /nfs/dbraw/zinc/56/36/60/808563660.db2.gz WVCPJUMLKBJTEM-KRWDZBQOSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001173276194 808579171 /nfs/dbraw/zinc/57/91/71/808579171.db2.gz UNZHKXCYPNRMGJ-HUUCEWRRSA-N 3 1 283.504 3.040 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001173278158 808581734 /nfs/dbraw/zinc/58/17/34/808581734.db2.gz WUVYQVGGWSXNRR-PMPSAXMXSA-N 2 1 252.446 3.406 20 0 CGADMP CCSC[C@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001173302242 808600188 /nfs/dbraw/zinc/60/01/88/808600188.db2.gz PZFGRVMVLBBQJD-HNNXBMFYSA-N 2 1 296.524 3.468 20 0 CGADMP CCSC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001173302242 808600183 /nfs/dbraw/zinc/60/01/83/808600183.db2.gz PZFGRVMVLBBQJD-HNNXBMFYSA-N 2 1 296.524 3.468 20 0 CGADMP CCSC[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001173304203 808602196 /nfs/dbraw/zinc/60/21/96/808602196.db2.gz GBIGFKPMWGTHPX-HZPDHXFCSA-N 2 1 284.513 3.468 20 0 CGADMP CC[N@H+]1CC[C@@H](n2cc(C(C)(C)C[NH3+])c3ccccc32)C1 ZINC001173353327 808628771 /nfs/dbraw/zinc/62/87/71/808628771.db2.gz KPGGDTRHZHTJSN-CQSZACIVSA-N 2 1 285.435 3.144 20 0 CGADMP Cc1[nH+]c2ccccn2c1Nc1ccccc1C[NH+](C)C ZINC001173929017 808768274 /nfs/dbraw/zinc/76/82/74/808768274.db2.gz IXYAMPFGGCYNGO-UHFFFAOYSA-N 2 1 280.375 3.448 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275069717 808902807 /nfs/dbraw/zinc/90/28/07/808902807.db2.gz OLHMMZBUMOEBNG-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(CC)C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275069717 808902810 /nfs/dbraw/zinc/90/28/10/808902810.db2.gz OLHMMZBUMOEBNG-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(CC)C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275069717 808902813 /nfs/dbraw/zinc/90/28/13/808902813.db2.gz OLHMMZBUMOEBNG-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3ccncc31)CC2 ZINC001275316091 808928562 /nfs/dbraw/zinc/92/85/62/808928562.db2.gz YYHPKUBKJMJHBB-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001275784842 808965832 /nfs/dbraw/zinc/96/58/32/808965832.db2.gz DITYMNDPSRMPOO-BETUJISGSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001275784842 808965836 /nfs/dbraw/zinc/96/58/36/808965836.db2.gz DITYMNDPSRMPOO-BETUJISGSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001275784842 808965842 /nfs/dbraw/zinc/96/58/42/808965842.db2.gz DITYMNDPSRMPOO-BETUJISGSA-N 2 1 284.856 3.175 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275822488 808968744 /nfs/dbraw/zinc/96/87/44/808968744.db2.gz IYFFDUOPHVKEHU-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275822488 808968748 /nfs/dbraw/zinc/96/87/48/808968748.db2.gz IYFFDUOPHVKEHU-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275822488 808968753 /nfs/dbraw/zinc/96/87/53/808968753.db2.gz IYFFDUOPHVKEHU-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC001276155362 808991412 /nfs/dbraw/zinc/99/14/12/808991412.db2.gz GFYBZHOATCTCDT-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP Cc1ccc(CCC[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)o1 ZINC001276446196 809009942 /nfs/dbraw/zinc/00/99/42/809009942.db2.gz SLVBDLCXMCVSIG-GOSISDBHSA-N 2 1 290.451 3.328 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)o1 ZINC001276446196 809009948 /nfs/dbraw/zinc/00/99/48/809009948.db2.gz SLVBDLCXMCVSIG-GOSISDBHSA-N 2 1 290.451 3.328 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)o1 ZINC001276446196 809009954 /nfs/dbraw/zinc/00/99/54/809009954.db2.gz SLVBDLCXMCVSIG-GOSISDBHSA-N 2 1 290.451 3.328 20 0 CGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001276478689 809013097 /nfs/dbraw/zinc/01/30/97/809013097.db2.gz LTTJKKBJGVTWQV-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001276478689 809013106 /nfs/dbraw/zinc/01/31/06/809013106.db2.gz LTTJKKBJGVTWQV-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCc3cccc(F)c3)C2)C1 ZINC001276478689 809013113 /nfs/dbraw/zinc/01/31/13/809013113.db2.gz LTTJKKBJGVTWQV-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCc3cccc(F)c3)C2)C1 ZINC001276478689 809013119 /nfs/dbraw/zinc/01/31/19/809013119.db2.gz LTTJKKBJGVTWQV-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1nccc3ccccc31)C2 ZINC001276611115 809020312 /nfs/dbraw/zinc/02/03/12/809020312.db2.gz YJCSBNZSYSEUJS-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1nccc3ccccc31)C2 ZINC001276611115 809020332 /nfs/dbraw/zinc/02/03/32/809020332.db2.gz YJCSBNZSYSEUJS-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1nccc3ccccc31)C2 ZINC001276611115 809020339 /nfs/dbraw/zinc/02/03/39/809020339.db2.gz YJCSBNZSYSEUJS-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc(C)ccc2n1 ZINC001276784729 809031374 /nfs/dbraw/zinc/03/13/74/809031374.db2.gz KAXDMPXSODJSBI-AYHJJNSGSA-N 2 1 295.430 3.258 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(C)ccc2n1 ZINC001276784729 809031380 /nfs/dbraw/zinc/03/13/80/809031380.db2.gz KAXDMPXSODJSBI-AYHJJNSGSA-N 2 1 295.430 3.258 20 0 CGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1Cl ZINC001276812429 809032997 /nfs/dbraw/zinc/03/29/97/809032997.db2.gz FOCCVWDBYLGCPT-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1Cl ZINC001276812429 809033005 /nfs/dbraw/zinc/03/30/05/809033005.db2.gz FOCCVWDBYLGCPT-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1Cl ZINC001276812429 809033011 /nfs/dbraw/zinc/03/30/11/809033011.db2.gz FOCCVWDBYLGCPT-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(Nc2cc[nH+]cc2C)cc1 ZINC001174537478 809069264 /nfs/dbraw/zinc/06/92/64/809069264.db2.gz GULSUCFXDDEIRN-UHFFFAOYSA-N 2 1 264.332 3.050 20 0 CGADMP CCSCC[N@@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001277916541 809105344 /nfs/dbraw/zinc/10/53/44/809105344.db2.gz KGRRRMWUGGJCQO-UHFFFAOYSA-N 2 1 282.497 3.080 20 0 CGADMP CCSCC[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001277916541 809105345 /nfs/dbraw/zinc/10/53/45/809105345.db2.gz KGRRRMWUGGJCQO-UHFFFAOYSA-N 2 1 282.497 3.080 20 0 CGADMP CCSCC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277916541 809105346 /nfs/dbraw/zinc/10/53/46/809105346.db2.gz KGRRRMWUGGJCQO-UHFFFAOYSA-N 2 1 282.497 3.080 20 0 CGADMP CCSCC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277916541 809105347 /nfs/dbraw/zinc/10/53/47/809105347.db2.gz KGRRRMWUGGJCQO-UHFFFAOYSA-N 2 1 282.497 3.080 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070313 809259736 /nfs/dbraw/zinc/25/97/36/809259736.db2.gz QDHIFTLNAWWVHQ-OKZBNKHCSA-N 2 1 272.436 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070313 809259739 /nfs/dbraw/zinc/25/97/39/809259739.db2.gz QDHIFTLNAWWVHQ-OKZBNKHCSA-N 2 1 272.436 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070313 809259742 /nfs/dbraw/zinc/25/97/42/809259742.db2.gz QDHIFTLNAWWVHQ-OKZBNKHCSA-N 2 1 272.436 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070313 809259747 /nfs/dbraw/zinc/25/97/47/809259747.db2.gz QDHIFTLNAWWVHQ-OKZBNKHCSA-N 2 1 272.436 3.411 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001177294043 809791996 /nfs/dbraw/zinc/79/19/96/809791996.db2.gz CPVSMFPBXBTCPV-CGTJXYLNSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001181554946 810058917 /nfs/dbraw/zinc/05/89/17/810058917.db2.gz HVKDBDZXJVRWFK-IAGOWNOFSA-N 2 1 260.425 3.064 20 0 CGADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001182309088 810103828 /nfs/dbraw/zinc/10/38/28/810103828.db2.gz MNQUIZUOHCRCFE-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC001182309088 810103831 /nfs/dbraw/zinc/10/38/31/810103831.db2.gz MNQUIZUOHCRCFE-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CCO[C@H](C[NH2+][C@H]1CCCC12CCCCC2)C[NH+](C)C ZINC001183756230 810159844 /nfs/dbraw/zinc/15/98/44/810159844.db2.gz ZPIMTLJDEJHBEC-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CC2(CCC2)C1 ZINC001191259042 810694077 /nfs/dbraw/zinc/69/40/77/810694077.db2.gz RXFCFWCPKQSYKL-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CC2(CCC2)C1 ZINC001191259042 810694080 /nfs/dbraw/zinc/69/40/80/810694080.db2.gz RXFCFWCPKQSYKL-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CC2(CCC2)C1 ZINC001191259042 810694083 /nfs/dbraw/zinc/69/40/83/810694083.db2.gz RXFCFWCPKQSYKL-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196935094 811384208 /nfs/dbraw/zinc/38/42/08/811384208.db2.gz GOZPMYANYJJNBS-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H](C[NH2+]CC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001199266374 811566162 /nfs/dbraw/zinc/56/61/62/811566162.db2.gz JEASWDSANONOFA-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](C[NH2+]CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001199266374 811566167 /nfs/dbraw/zinc/56/61/67/811566167.db2.gz JEASWDSANONOFA-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCCCC2)C1 ZINC001199335755 811572739 /nfs/dbraw/zinc/57/27/39/811572739.db2.gz BVIPTRJKCIDBGW-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)(C)C ZINC001200412739 811688799 /nfs/dbraw/zinc/68/87/99/811688799.db2.gz RDACCADVDDFRLG-OAHLLOKOSA-N 2 1 284.394 3.421 20 0 CGADMP CC(C)(C)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001201440301 811848761 /nfs/dbraw/zinc/84/87/61/811848761.db2.gz HMZXSGZNBOTSEX-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201486827 811861007 /nfs/dbraw/zinc/86/10/07/811861007.db2.gz MTUGFUPWLYCMFE-BBWFWOEESA-N 2 1 264.457 3.252 20 0 CGADMP CC(C)=CCC[C@H](C)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201486827 811861013 /nfs/dbraw/zinc/86/10/13/811861013.db2.gz MTUGFUPWLYCMFE-BBWFWOEESA-N 2 1 264.457 3.252 20 0 CGADMP CC(C)=CCC[C@H](C)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201486827 811861020 /nfs/dbraw/zinc/86/10/20/811861020.db2.gz MTUGFUPWLYCMFE-BBWFWOEESA-N 2 1 264.457 3.252 20 0 CGADMP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](CC2CCCC2)C3)c1 ZINC001202167848 812028959 /nfs/dbraw/zinc/02/89/59/812028959.db2.gz WPKQELBOHWMZPE-CALCHBBNSA-N 2 1 288.435 3.224 20 0 CGADMP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](CC2CCCC2)C3)c1 ZINC001202167848 812028966 /nfs/dbraw/zinc/02/89/66/812028966.db2.gz WPKQELBOHWMZPE-CALCHBBNSA-N 2 1 288.435 3.224 20 0 CGADMP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](CC4CCCC4)C3)C2)c1 ZINC001202167848 812028972 /nfs/dbraw/zinc/02/89/72/812028972.db2.gz WPKQELBOHWMZPE-CALCHBBNSA-N 2 1 288.435 3.224 20 0 CGADMP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](CC4CCCC4)C3)C2)c1 ZINC001202167848 812028982 /nfs/dbraw/zinc/02/89/82/812028982.db2.gz WPKQELBOHWMZPE-CALCHBBNSA-N 2 1 288.435 3.224 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1CCC1 ZINC001202762925 812169361 /nfs/dbraw/zinc/16/93/61/812169361.db2.gz UFUAXULCDDTAMP-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001202762925 812169363 /nfs/dbraw/zinc/16/93/63/812169363.db2.gz UFUAXULCDDTAMP-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001202762925 812169367 /nfs/dbraw/zinc/16/93/67/812169367.db2.gz UFUAXULCDDTAMP-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP Nc1cccc2[nH+]cn(-c3ccc(C[NH+]4CCCC4)cc3)c21 ZINC001203806671 812466609 /nfs/dbraw/zinc/46/66/09/812466609.db2.gz BMBNEKDXJMDVIV-UHFFFAOYSA-N 2 1 292.386 3.204 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(C)c2)CC1 ZINC001203891187 812483347 /nfs/dbraw/zinc/48/33/47/812483347.db2.gz SNJDSBUWRUTYAD-UHFFFAOYSA-N 2 1 295.430 3.437 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001203916342 812491659 /nfs/dbraw/zinc/49/16/59/812491659.db2.gz LNLZOESRWBWIPV-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989225 812511790 /nfs/dbraw/zinc/51/17/90/812511790.db2.gz ZUQXGLDCIWBTOP-IEBWSBKVSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC001204269643 812592593 /nfs/dbraw/zinc/59/25/93/812592593.db2.gz ISSICTLFFQWQCB-DLBZAZTESA-N 2 1 288.435 3.001 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cn(C)c3ccccc23)CC1 ZINC001204321723 812613035 /nfs/dbraw/zinc/61/30/35/812613035.db2.gz SCQLJGZXZQTWFV-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)c3ccccc23)CC1 ZINC001204321723 812613039 /nfs/dbraw/zinc/61/30/39/812613039.db2.gz SCQLJGZXZQTWFV-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204399759 812629270 /nfs/dbraw/zinc/62/92/70/812629270.db2.gz WBADFRRLTVDYRJ-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204399759 812629274 /nfs/dbraw/zinc/62/92/74/812629274.db2.gz WBADFRRLTVDYRJ-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204399759 812629278 /nfs/dbraw/zinc/62/92/78/812629278.db2.gz WBADFRRLTVDYRJ-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204399759 812629283 /nfs/dbraw/zinc/62/92/83/812629283.db2.gz WBADFRRLTVDYRJ-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204399761 812629650 /nfs/dbraw/zinc/62/96/50/812629650.db2.gz WBADFRRLTVDYRJ-IRXDYDNUSA-N 2 1 286.463 3.368 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001204848825 812753071 /nfs/dbraw/zinc/75/30/71/812753071.db2.gz UVQOQYNOSGXVLC-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001204848825 812753075 /nfs/dbraw/zinc/75/30/75/812753075.db2.gz UVQOQYNOSGXVLC-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001205009401 812823073 /nfs/dbraw/zinc/82/30/73/812823073.db2.gz QMNDAAWLRYGXOY-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001205009401 812823082 /nfs/dbraw/zinc/82/30/82/812823082.db2.gz QMNDAAWLRYGXOY-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205015767 812825628 /nfs/dbraw/zinc/82/56/28/812825628.db2.gz FGGOOLXAPSYAJI-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205015767 812825635 /nfs/dbraw/zinc/82/56/35/812825635.db2.gz FGGOOLXAPSYAJI-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001205058613 812840611 /nfs/dbraw/zinc/84/06/11/812840611.db2.gz OZLALYWXKDFNCD-RUAUBTSSSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001205058613 812840620 /nfs/dbraw/zinc/84/06/20/812840620.db2.gz OZLALYWXKDFNCD-RUAUBTSSSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001205058610 812841350 /nfs/dbraw/zinc/84/13/50/812841350.db2.gz OZLALYWXKDFNCD-DLKVLKDVSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001205058610 812841360 /nfs/dbraw/zinc/84/13/60/812841360.db2.gz OZLALYWXKDFNCD-DLKVLKDVSA-N 2 1 278.827 3.255 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001205094483 812861100 /nfs/dbraw/zinc/86/11/00/812861100.db2.gz MTBMQLBUABJRTH-CYBMUJFWSA-N 2 1 277.799 3.135 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2cccc(Cl)c2)CC1 ZINC001205094626 812861216 /nfs/dbraw/zinc/86/12/16/812861216.db2.gz NNDHUUZPZPXFMA-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC001205101786 812867432 /nfs/dbraw/zinc/86/74/32/812867432.db2.gz LREJVRDSNIHSQB-CQSZACIVSA-N 2 1 287.432 3.123 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117692 812875384 /nfs/dbraw/zinc/87/53/84/812875384.db2.gz RXMMFTPJCBSRRY-QGZVFWFLSA-N 2 1 260.425 3.198 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205123971 812877512 /nfs/dbraw/zinc/87/75/12/812877512.db2.gz HZWCBRCAFUGVQU-GOSISDBHSA-N 2 1 295.430 3.370 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC001205164578 812895842 /nfs/dbraw/zinc/89/58/42/812895842.db2.gz INBMDFKNDQYHMP-UHFFFAOYSA-N 2 1 298.455 3.261 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)s1 ZINC001205265725 812922248 /nfs/dbraw/zinc/92/22/48/812922248.db2.gz QXAAQIXESQOADJ-CQSZACIVSA-N 2 1 252.427 3.068 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001205266987 812923226 /nfs/dbraw/zinc/92/32/26/812923226.db2.gz ZJIQSYQRLJXWTE-INIZCTEOSA-N 2 1 275.371 3.010 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001205274041 812925988 /nfs/dbraw/zinc/92/59/88/812925988.db2.gz SIQFOHVNUUVFBX-QGZVFWFLSA-N 2 1 287.382 3.077 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2-c2ccncc2)CC1 ZINC001205288192 812931681 /nfs/dbraw/zinc/93/16/81/812931681.db2.gz HYMKKBQKOVEGED-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C[C@H]1C[NH3+] ZINC001205303809 812942155 /nfs/dbraw/zinc/94/21/55/812942155.db2.gz KYABASXETIDQEJ-NWDGAFQWSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC(C)C ZINC001205314932 812947704 /nfs/dbraw/zinc/94/77/04/812947704.db2.gz DQSRFJOBLVDZED-RHSMWYFYSA-N 2 1 290.451 3.199 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318316 812951228 /nfs/dbraw/zinc/95/12/28/812951228.db2.gz UCRPQKZHMSQGPV-DOTOQJQBSA-N 2 1 290.451 3.199 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001205331000 812959394 /nfs/dbraw/zinc/95/93/94/812959394.db2.gz BYJYXJBCBUBMJV-CYBMUJFWSA-N 2 1 272.367 3.163 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001205331000 812959397 /nfs/dbraw/zinc/95/93/97/812959397.db2.gz BYJYXJBCBUBMJV-CYBMUJFWSA-N 2 1 272.367 3.163 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001205545727 813000161 /nfs/dbraw/zinc/00/01/61/813000161.db2.gz MQIGFAKMRRLHIO-JYJNAYRXSA-N 2 1 268.420 3.132 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(C)s1 ZINC001205560081 813003261 /nfs/dbraw/zinc/00/32/61/813003261.db2.gz ZFARONZBGLLLCC-CQSZACIVSA-N 2 1 270.417 3.018 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2C(F)F)CC1 ZINC001205558994 813003610 /nfs/dbraw/zinc/00/36/10/813003610.db2.gz MRNZDBSJOXIKCF-OAHLLOKOSA-N 2 1 286.341 3.277 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Cl ZINC001205578899 813010742 /nfs/dbraw/zinc/01/07/42/813010742.db2.gz JTGLVRJVZDAWEN-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1C ZINC001205601351 813017641 /nfs/dbraw/zinc/01/76/41/813017641.db2.gz DQTXVKSQJHRGAR-YOEHRIQHSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001205603501 813019679 /nfs/dbraw/zinc/01/96/79/813019679.db2.gz PKXUWFHTFIDSRX-GXTWGEPZSA-N 2 1 266.816 3.147 20 0 CGADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1C ZINC001205604278 813020211 /nfs/dbraw/zinc/02/02/11/813020211.db2.gz USPMEDACYWLLAZ-BBRMVZONSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c[nH]c21 ZINC001205615772 813027425 /nfs/dbraw/zinc/02/74/25/813027425.db2.gz AVSVAVWIEPKYNZ-UKRRQHHQSA-N 2 1 285.435 3.283 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205628808 813034944 /nfs/dbraw/zinc/03/49/44/813034944.db2.gz XBDKEPFMKVRHMZ-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(C)c1 ZINC001205628896 813035268 /nfs/dbraw/zinc/03/52/68/813035268.db2.gz XNKWIKYOIDLYFF-CJNGLKHVSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3cccc(F)c3[nH]2)CC[C@H]1C[NH3+] ZINC001205638566 813037618 /nfs/dbraw/zinc/03/76/18/813037618.db2.gz PIIHNROROMIWIN-OCCSQVGLSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)sc1C ZINC001205638936 813037929 /nfs/dbraw/zinc/03/79/29/813037929.db2.gz TVFASCKOYNEOGQ-BXUZGUMPSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3cccc(F)c3[nH]2)CC[C@@H]1C[NH3+] ZINC001205638567 813038730 /nfs/dbraw/zinc/03/87/30/813038730.db2.gz PIIHNROROMIWIN-TZMCWYRMSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)CC[C@H]1C[NH3+] ZINC001205651338 813042662 /nfs/dbraw/zinc/04/26/62/813042662.db2.gz CUAAHMNMPATCSK-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205654567 813044131 /nfs/dbraw/zinc/04/41/31/813044131.db2.gz XJFVBGHUQNCLJG-IUODEOHRSA-N 2 1 278.415 3.249 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CCc1cc(C)cc(C)c1 ZINC001205692919 813054132 /nfs/dbraw/zinc/05/41/32/813054132.db2.gz OGJMYCCEIFIBPY-UHFFFAOYSA-N 2 1 262.441 3.120 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)CCC1(F)F ZINC001205763858 813068965 /nfs/dbraw/zinc/06/89/65/813068965.db2.gz SHRIXTMHPCQRNK-GFCCVEGCSA-N 2 1 296.386 3.317 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CCC1(F)F ZINC001205763858 813068971 /nfs/dbraw/zinc/06/89/71/813068971.db2.gz SHRIXTMHPCQRNK-GFCCVEGCSA-N 2 1 296.386 3.317 20 0 CGADMP C[C@@H]1CC[C@H](CN)[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827962 813099215 /nfs/dbraw/zinc/09/92/15/813099215.db2.gz IJFHJSJBFSYGQO-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827962 813099223 /nfs/dbraw/zinc/09/92/23/813099223.db2.gz IJFHJSJBFSYGQO-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@]1(F)CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001205851750 813108739 /nfs/dbraw/zinc/10/87/39/813108739.db2.gz BILHGNMYSLIDLG-HNNXBMFYSA-N 2 1 282.428 3.108 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1ccccc1Cl ZINC001205901274 813123394 /nfs/dbraw/zinc/12/33/94/813123394.db2.gz CDXQPYBGTDVVRK-UKRRQHHQSA-N 2 1 280.843 3.332 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(C)c1 ZINC001205901757 813124309 /nfs/dbraw/zinc/12/43/09/813124309.db2.gz GAOFZHKFQOOTOA-HZPDHXFCSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001205904153 813126311 /nfs/dbraw/zinc/12/63/11/813126311.db2.gz SKWTWFZLTMLOOT-DZGCQCFKSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(Br)c1 ZINC001205903583 813126945 /nfs/dbraw/zinc/12/69/45/813126945.db2.gz QFRAGHCMFCXWFE-AAEUAGOBSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(Br)c1 ZINC001205903583 813126949 /nfs/dbraw/zinc/12/69/49/813126949.db2.gz QFRAGHCMFCXWFE-AAEUAGOBSA-N 2 1 297.240 3.008 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1Cl ZINC001205912760 813129377 /nfs/dbraw/zinc/12/93/77/813129377.db2.gz CAXDCAAKVDJWAX-IUODEOHRSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1Cl ZINC001205912760 813129379 /nfs/dbraw/zinc/12/93/79/813129379.db2.gz CAXDCAAKVDJWAX-IUODEOHRSA-N 2 1 280.843 3.462 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205915178 813130986 /nfs/dbraw/zinc/13/09/86/813130986.db2.gz OTBMMUIAEZXZRK-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP CN(C)c1ccc2cc(C[N@@H+]3CCCC[C@H]([NH3+])C3)ccc2c1 ZINC001205931820 813139263 /nfs/dbraw/zinc/13/92/63/813139263.db2.gz LPLXEWDEWOEBMT-SFHVURJKSA-N 2 1 297.446 3.219 20 0 CGADMP CN(C)c1ccc2cc(C[N@H+]3CCCC[C@H]([NH3+])C3)ccc2c1 ZINC001205931820 813139265 /nfs/dbraw/zinc/13/92/65/813139265.db2.gz LPLXEWDEWOEBMT-SFHVURJKSA-N 2 1 297.446 3.219 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC001205985597 813152510 /nfs/dbraw/zinc/15/25/10/813152510.db2.gz YSZOQTOAULLINE-HOTGVXAUSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCC[C@H]1C[NH3+] ZINC001205991360 813154073 /nfs/dbraw/zinc/15/40/73/813154073.db2.gz AFKINPOTUDPWDC-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC001205996182 813156378 /nfs/dbraw/zinc/15/63/78/813156378.db2.gz VTRHHVJXNOPTSE-WBVHZDCISA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CCC[C@H]1C[NH3+] ZINC001205996168 813156471 /nfs/dbraw/zinc/15/64/71/813156471.db2.gz VQCKBDVUEIZYHO-MNOVXSKESA-N 2 1 272.845 3.208 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205997043 813158429 /nfs/dbraw/zinc/15/84/29/813158429.db2.gz ZCDAVOARMULQBM-DOTOQJQBSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3cccnc3s2)CCC[C@H]1C[NH3+] ZINC001206026187 813169933 /nfs/dbraw/zinc/16/99/33/813169933.db2.gz QREFQTDHFDLAHX-JSGCOSHPSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1cccc2ccccc21 ZINC001206052980 813183070 /nfs/dbraw/zinc/18/30/70/813183070.db2.gz BPRFISUJIJPENO-HBUWYVDXSA-N 2 1 268.404 3.222 20 0 CGADMP C[C@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)CCC[C@@H]1C ZINC001206110505 813202620 /nfs/dbraw/zinc/20/26/20/813202620.db2.gz ZWWWGDKHTIMONB-GJZGRUSLSA-N 2 1 264.457 3.134 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(C)c1C ZINC001206297645 813277012 /nfs/dbraw/zinc/27/70/12/813277012.db2.gz ZDECSCCMTPZDAL-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC001206304258 813280200 /nfs/dbraw/zinc/28/02/00/813280200.db2.gz IPRUFMRHXFPYLG-HNNXBMFYSA-N 2 1 286.341 3.055 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3occc32)CC1 ZINC001206326473 813289494 /nfs/dbraw/zinc/28/94/94/813289494.db2.gz OCGDOMWXOURJOV-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cccc2n1 ZINC001206335960 813294790 /nfs/dbraw/zinc/29/47/90/813294790.db2.gz INHPCAMRIHPMMU-IBGZPJMESA-N 2 1 297.446 3.494 20 0 CGADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206335633 813294853 /nfs/dbraw/zinc/29/48/53/813294853.db2.gz HHHNFDNNDNEVGR-QGZVFWFLSA-N 2 1 294.414 3.094 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC001206541182 813344021 /nfs/dbraw/zinc/34/40/21/813344021.db2.gz FQLYCWGACXTBFS-INIZCTEOSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC001206541182 813344028 /nfs/dbraw/zinc/34/40/28/813344028.db2.gz FQLYCWGACXTBFS-INIZCTEOSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001206542125 813345178 /nfs/dbraw/zinc/34/51/78/813345178.db2.gz SAZUOVLYJZZKGA-INIZCTEOSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001206550117 813348790 /nfs/dbraw/zinc/34/87/90/813348790.db2.gz VKNZOKPZULQKJR-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001206563256 813354199 /nfs/dbraw/zinc/35/41/99/813354199.db2.gz AKCVDWXSABBYPU-IBGZPJMESA-N 2 1 297.446 3.428 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001206564445 813354694 /nfs/dbraw/zinc/35/46/94/813354694.db2.gz NTDDXZPULOVZTB-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001206563459 813355264 /nfs/dbraw/zinc/35/52/64/813355264.db2.gz DAQZZHATKFEYHU-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP CC(C)[N@@H+](CCc1c(F)cccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582775 813362935 /nfs/dbraw/zinc/36/29/35/813362935.db2.gz PPUYVXPPSRPPGM-AWEZNQCLSA-N 2 1 296.405 3.360 20 0 CGADMP COc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1C ZINC001206583053 813363351 /nfs/dbraw/zinc/36/33/51/813363351.db2.gz SGLBDWJKQVJOIB-KRWDZBQOSA-N 2 1 290.451 3.356 20 0 CGADMP CCOc1ccccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206584506 813363738 /nfs/dbraw/zinc/36/37/38/813363738.db2.gz ZNMCXPFWMQBFMB-KRWDZBQOSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)[N@@H+](C[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]CC1 ZINC001206583738 813364746 /nfs/dbraw/zinc/36/47/46/813364746.db2.gz VYHBNIJTUIHCAN-HZPDHXFCSA-N 2 1 250.430 3.195 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206592147 813366845 /nfs/dbraw/zinc/36/68/45/813366845.db2.gz XTRMILPFHXQWSI-INIZCTEOSA-N 2 1 278.415 3.487 20 0 CGADMP COc1ccc(C)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206599910 813370138 /nfs/dbraw/zinc/37/01/38/813370138.db2.gz YXRFVWZAMPQWCI-KRWDZBQOSA-N 2 1 290.451 3.356 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206615474 813375799 /nfs/dbraw/zinc/37/57/99/813375799.db2.gz DWAMSIDBFHBXSV-KRWDZBQOSA-N 2 1 290.451 3.282 20 0 CGADMP Cc1csc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206615565 813375867 /nfs/dbraw/zinc/37/58/67/813375867.db2.gz IYQHEVXAVILXQA-NSHDSACASA-N 2 1 272.845 3.271 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206646934 813385171 /nfs/dbraw/zinc/38/51/71/813385171.db2.gz FHWJFTVARMSYLM-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206646934 813385178 /nfs/dbraw/zinc/38/51/78/813385178.db2.gz FHWJFTVARMSYLM-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714768 813405616 /nfs/dbraw/zinc/40/56/16/813405616.db2.gz LAAUXGASSBXUOS-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714768 813405619 /nfs/dbraw/zinc/40/56/19/813405619.db2.gz LAAUXGASSBXUOS-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP Cn1c2ccccc2c2cc(C[NH+]3CC(C)(C[NH3+])C3)ccc21 ZINC001206718303 813407069 /nfs/dbraw/zinc/40/70/69/813407069.db2.gz OLZIYRWGAOZLGB-UHFFFAOYSA-N 2 1 293.414 3.112 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)C1(C)C ZINC001206760733 813425658 /nfs/dbraw/zinc/42/56/58/813425658.db2.gz KURIEGGGKLXBKW-OWCLPIDISA-N 2 1 264.457 3.428 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206771832 813433720 /nfs/dbraw/zinc/43/37/20/813433720.db2.gz YDXVTKQBAWNORN-CVEARBPZSA-N 2 1 290.451 3.341 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1-n1cccc1 ZINC001206807250 813440957 /nfs/dbraw/zinc/44/09/57/813440957.db2.gz IAWUELCHCZLUKG-CVEARBPZSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc2sccc21 ZINC001206806097 813441349 /nfs/dbraw/zinc/44/13/49/813441349.db2.gz FIZRPSQBRZWCCE-STQMWFEESA-N 2 1 274.433 3.461 20 0 CGADMP Clc1ccc([C@H]2C[C@H]2C[N@H+]2CCN3CCC2CC3)cc1 ZINC001207191960 813512205 /nfs/dbraw/zinc/51/22/05/813512205.db2.gz NXYWSIYDNBSPFV-WMLDXEAASA-N 2 1 290.838 3.224 20 0 CGADMP Clc1ccc([C@H]2C[C@H]2CN2CC[NH+]3CCC2CC3)cc1 ZINC001207191960 813512207 /nfs/dbraw/zinc/51/22/07/813512207.db2.gz NXYWSIYDNBSPFV-WMLDXEAASA-N 2 1 290.838 3.224 20 0 CGADMP C(C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2)C1CCCCC1 ZINC001207255985 813521922 /nfs/dbraw/zinc/52/19/22/813521922.db2.gz CYCFUSRWHOIHAO-UHFFFAOYSA-N 2 1 276.468 3.375 20 0 CGADMP C(C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2)C1CCCCC1 ZINC001207255985 813521927 /nfs/dbraw/zinc/52/19/27/813521927.db2.gz CYCFUSRWHOIHAO-UHFFFAOYSA-N 2 1 276.468 3.375 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)cn1 ZINC001207282816 813534359 /nfs/dbraw/zinc/53/43/59/813534359.db2.gz PWIDLTFKHOZICB-MRXNPFEDSA-N 2 1 275.440 3.115 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)cn1 ZINC001207282816 813534363 /nfs/dbraw/zinc/53/43/63/813534363.db2.gz PWIDLTFKHOZICB-MRXNPFEDSA-N 2 1 275.440 3.115 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479437 813572237 /nfs/dbraw/zinc/57/22/37/813572237.db2.gz IUJKKKFFBAAVML-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP CCC[N@H+](CCc1ccccn1)CCC1CC[NH+](C)CC1 ZINC001207486466 813572763 /nfs/dbraw/zinc/57/27/63/813572763.db2.gz JACITMBQVSWYJW-UHFFFAOYSA-N 2 1 289.467 3.068 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207479802 813572839 /nfs/dbraw/zinc/57/28/39/813572839.db2.gz OEZJIOPIATUYBY-UHFFFAOYSA-N 2 1 260.425 3.240 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCc3cccc(Cl)c3)C2)C1 ZINC001207593897 813603899 /nfs/dbraw/zinc/60/38/99/813603899.db2.gz OHRAJKFBNMHTPH-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCc3cccc(Cl)c3)C2)C1 ZINC001207593897 813603906 /nfs/dbraw/zinc/60/39/06/813603906.db2.gz OHRAJKFBNMHTPH-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3cccc(Cl)c3)C2)C1 ZINC001207593897 813603914 /nfs/dbraw/zinc/60/39/14/813603914.db2.gz OHRAJKFBNMHTPH-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP CCN1CCC([N@@H+](C)CC[C@H](C)CCCC(C)(C)O)CC1 ZINC001207670976 813631096 /nfs/dbraw/zinc/63/10/96/813631096.db2.gz PIGQUXWICMJTFK-MRXNPFEDSA-N 2 1 298.515 3.370 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC[C@H](C)CCCC(C)(C)O)CC1 ZINC001207670976 813631102 /nfs/dbraw/zinc/63/11/02/813631102.db2.gz PIGQUXWICMJTFK-MRXNPFEDSA-N 2 1 298.515 3.370 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC[C@H](C)CCCC(C)(C)O)CC1 ZINC001207670976 813631108 /nfs/dbraw/zinc/63/11/08/813631108.db2.gz PIGQUXWICMJTFK-MRXNPFEDSA-N 2 1 298.515 3.370 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1CCSCC1 ZINC001207755378 813645965 /nfs/dbraw/zinc/64/59/65/813645965.db2.gz KYEJSPDDPWWBOD-IRXDYDNUSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC001207755378 813645969 /nfs/dbraw/zinc/64/59/69/813645969.db2.gz KYEJSPDDPWWBOD-IRXDYDNUSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001207755378 813645972 /nfs/dbraw/zinc/64/59/72/813645972.db2.gz KYEJSPDDPWWBOD-IRXDYDNUSA-N 2 1 296.524 3.468 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208113789 813696676 /nfs/dbraw/zinc/69/66/76/813696676.db2.gz OWNAJJFBTHJTRP-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001208173220 813727131 /nfs/dbraw/zinc/72/71/31/813727131.db2.gz HPJQRSIGDKVGQZ-DLBZAZTESA-N 2 1 264.457 3.397 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001208600393 813770830 /nfs/dbraw/zinc/77/08/30/813770830.db2.gz QJTHATVPPQLWQU-INIZCTEOSA-N 2 1 290.426 3.347 20 0 CGADMP CC[N@H+](Cc1ccc(F)cc1)CC1CC[NH+](CC)CC1 ZINC001208599736 813771132 /nfs/dbraw/zinc/77/11/32/813771132.db2.gz AOCIAOAYPFWCPB-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCCc3ccccc3C2)CC1 ZINC001208597264 813771435 /nfs/dbraw/zinc/77/14/35/813771435.db2.gz FRNXMXGUOIIBQO-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612647 813772590 /nfs/dbraw/zinc/77/25/90/813772590.db2.gz MYYNSJZJPMKPRG-HOCLYGCPSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612647 813772595 /nfs/dbraw/zinc/77/25/95/813772595.db2.gz MYYNSJZJPMKPRG-HOCLYGCPSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612647 813772599 /nfs/dbraw/zinc/77/25/99/813772599.db2.gz MYYNSJZJPMKPRG-HOCLYGCPSA-N 2 1 292.854 3.471 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3ccccc3F)CC2)C1 ZINC001208607837 813774495 /nfs/dbraw/zinc/77/44/95/813774495.db2.gz NQNHJMFQSJQJGD-OAHLLOKOSA-N 2 1 290.426 3.347 20 0 CGADMP COc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208608324 813775114 /nfs/dbraw/zinc/77/51/14/813775114.db2.gz HFNMNRMDJQBPMQ-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208608324 813775122 /nfs/dbraw/zinc/77/51/22/813775122.db2.gz HFNMNRMDJQBPMQ-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)c1 ZINC001208608324 813775127 /nfs/dbraw/zinc/77/51/27/813775127.db2.gz HFNMNRMDJQBPMQ-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)c1 ZINC001208608324 813775135 /nfs/dbraw/zinc/77/51/35/813775135.db2.gz HFNMNRMDJQBPMQ-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCC2CC2)CC1 ZINC001208683853 813795225 /nfs/dbraw/zinc/79/52/25/813795225.db2.gz ORELYGVUTOXTRY-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP CC[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC001208930697 813903881 /nfs/dbraw/zinc/90/38/81/813903881.db2.gz CRLLRERHPAJVHA-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC001208930697 813903884 /nfs/dbraw/zinc/90/38/84/813903884.db2.gz CRLLRERHPAJVHA-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CC[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC001208930697 813903889 /nfs/dbraw/zinc/90/38/89/813903889.db2.gz CRLLRERHPAJVHA-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CC[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001208930697 813903892 /nfs/dbraw/zinc/90/38/92/813903892.db2.gz CRLLRERHPAJVHA-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP F[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208945929 813907321 /nfs/dbraw/zinc/90/73/21/813907321.db2.gz FPMXWXZDUWCNDT-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208945929 813907328 /nfs/dbraw/zinc/90/73/28/813907328.db2.gz FPMXWXZDUWCNDT-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208945929 813907335 /nfs/dbraw/zinc/90/73/35/813907335.db2.gz FPMXWXZDUWCNDT-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC4CCC3CC4)C2)cc1 ZINC001208952399 813910405 /nfs/dbraw/zinc/91/04/05/813910405.db2.gz JJQGOHDQSDZUSU-XBMUEBEBSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC4CCC3CC4)C2)cc1 ZINC001208952399 813910411 /nfs/dbraw/zinc/91/04/11/813910411.db2.gz JJQGOHDQSDZUSU-XBMUEBEBSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC4CCC3CC4)C2)cc1 ZINC001208952399 813910416 /nfs/dbraw/zinc/91/04/16/813910416.db2.gz JJQGOHDQSDZUSU-XBMUEBEBSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001209416792 814021585 /nfs/dbraw/zinc/02/15/85/814021585.db2.gz SNCROFKFXAFGFD-WBVHZDCISA-N 2 1 288.435 3.224 20 0 CGADMP FC1CC2(C1)CCC[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209451386 814047446 /nfs/dbraw/zinc/04/74/46/814047446.db2.gz XDMWNVYLLOBBRM-UHFFFAOYSA-N 2 1 282.447 3.467 20 0 CGADMP FC1CC2(C1)CCC[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209451386 814047452 /nfs/dbraw/zinc/04/74/52/814047452.db2.gz XDMWNVYLLOBBRM-UHFFFAOYSA-N 2 1 282.447 3.467 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)c[nH]c21 ZINC001209486936 814055737 /nfs/dbraw/zinc/05/57/37/814055737.db2.gz AFQDRISZRZWVRG-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209734470 814125409 /nfs/dbraw/zinc/12/54/09/814125409.db2.gz QLHCDMXMTZCVPA-QGZVFWFLSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209734470 814125413 /nfs/dbraw/zinc/12/54/13/814125413.db2.gz QLHCDMXMTZCVPA-QGZVFWFLSA-N 2 1 267.376 3.140 20 0 CGADMP C[C@H]1CC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[NH2+]1 ZINC001210496499 814489521 /nfs/dbraw/zinc/48/95/21/814489521.db2.gz HSSVZAYPRQYAKP-NSHDSACASA-N 2 1 277.799 3.005 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[NH2+]1 ZINC001210496499 814489523 /nfs/dbraw/zinc/48/95/23/814489523.db2.gz HSSVZAYPRQYAKP-NSHDSACASA-N 2 1 277.799 3.005 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141184 816357196 /nfs/dbraw/zinc/35/71/96/816357196.db2.gz HQHLEPPEWGNXPC-LJQANCHMSA-N 2 1 286.463 3.428 20 0 CGADMP Nc1ccccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173550 816369360 /nfs/dbraw/zinc/36/93/60/816369360.db2.gz UXCRETREXMRFFQ-SFHVURJKSA-N 2 1 287.451 3.015 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191549 816372652 /nfs/dbraw/zinc/37/26/52/816372652.db2.gz MXTCMMUBILFGTL-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191549 816372661 /nfs/dbraw/zinc/37/26/61/816372661.db2.gz MXTCMMUBILFGTL-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP c1ccc(CCCC[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222232920 816379956 /nfs/dbraw/zinc/37/99/56/816379956.db2.gz ZBEMINYAQYXEBE-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP Clc1ccc(CC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222230639 816380542 /nfs/dbraw/zinc/38/05/42/816380542.db2.gz BZIPMUMLGATUBE-MRXNPFEDSA-N 2 1 278.827 3.101 20 0 CGADMP Clc1ccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222230639 816380550 /nfs/dbraw/zinc/38/05/50/816380550.db2.gz BZIPMUMLGATUBE-MRXNPFEDSA-N 2 1 278.827 3.101 20 0 CGADMP CC1(C[N@H+]2CCC[C@]23CCC[NH2+]C3)CCCCC1 ZINC001222231400 816380570 /nfs/dbraw/zinc/38/05/70/816380570.db2.gz LTVYWMGBGATCAP-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)o1 ZINC001222231409 816380810 /nfs/dbraw/zinc/38/08/10/816380810.db2.gz LWAZQDFAMYNCLP-RHSMWYFYSA-N 2 1 276.424 3.300 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)o1 ZINC001222231409 816380820 /nfs/dbraw/zinc/38/08/20/816380820.db2.gz LWAZQDFAMYNCLP-RHSMWYFYSA-N 2 1 276.424 3.300 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)sc1C ZINC001222252412 816387898 /nfs/dbraw/zinc/38/78/98/816387898.db2.gz CZWNPVDGCSWCQW-HNNXBMFYSA-N 2 1 264.438 3.083 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)sc1C ZINC001222252412 816387904 /nfs/dbraw/zinc/38/79/04/816387904.db2.gz CZWNPVDGCSWCQW-HNNXBMFYSA-N 2 1 264.438 3.083 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001222309241 816403291 /nfs/dbraw/zinc/40/32/91/816403291.db2.gz OSXISZHMNOIGTB-IBGZPJMESA-N 2 1 284.447 3.010 20 0 CGADMP Cc1c(F)cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222315522 816406121 /nfs/dbraw/zinc/40/61/21/816406121.db2.gz ODNHTMMCVJTTPW-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222315522 816406125 /nfs/dbraw/zinc/40/61/25/816406125.db2.gz ODNHTMMCVJTTPW-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCCC3(CCCC3)C1)CC[NH2+]C2 ZINC001222400888 816433733 /nfs/dbraw/zinc/43/37/33/816433733.db2.gz MHPKOEOGNNAXFE-UHFFFAOYSA-N 2 1 284.447 3.489 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222619935 816478930 /nfs/dbraw/zinc/47/89/30/816478930.db2.gz BPJHXUQCNHFVRG-MAUKXSAKSA-N 2 1 266.388 3.024 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222615155 816479195 /nfs/dbraw/zinc/47/91/95/816479195.db2.gz LZOGTOHPRKCKRI-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629149 816483371 /nfs/dbraw/zinc/48/33/71/816483371.db2.gz BWXHKUNFHYGMJS-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP CCOC(=[NH2+])CCCCOC1CC[NH+](C(C)(C)C)CC1 ZINC001224965861 816920715 /nfs/dbraw/zinc/92/07/15/816920715.db2.gz MQIDNXYGDFKFDR-UHFFFAOYSA-N 2 1 284.444 3.450 20 0 CGADMP c1cc(C2CC2)ccc1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001228556237 817937249 /nfs/dbraw/zinc/93/72/49/817937249.db2.gz LVZVCVGSUBSIQU-UHFFFAOYSA-N 2 1 270.420 3.282 20 0 CGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccc(F)c1 ZINC001232011219 818232832 /nfs/dbraw/zinc/23/28/32/818232832.db2.gz JHJWNRIPEZFRIJ-UHFFFAOYSA-N 2 1 269.323 3.334 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001232013952 818233455 /nfs/dbraw/zinc/23/34/55/818233455.db2.gz IGYCIJJZMZNYGG-KRWDZBQOSA-N 2 1 278.359 3.295 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC001232146036 818263366 /nfs/dbraw/zinc/26/33/66/818263366.db2.gz GVNAWLRLERVFTL-ZDUSSCGKSA-N 2 1 282.378 3.069 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2ncsc2c1 ZINC001232743545 818430818 /nfs/dbraw/zinc/43/08/18/818430818.db2.gz ABBLWGBBJAWSLX-UHFFFAOYSA-N 2 1 277.437 3.070 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ncsc2c1 ZINC001232743545 818430823 /nfs/dbraw/zinc/43/08/23/818430823.db2.gz ABBLWGBBJAWSLX-UHFFFAOYSA-N 2 1 277.437 3.070 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-n1cccc1 ZINC001232912182 818473450 /nfs/dbraw/zinc/47/34/50/818473450.db2.gz KDUMOKONRANZNT-UHFFFAOYSA-N 2 1 285.435 3.251 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1C ZINC001233251406 818556051 /nfs/dbraw/zinc/55/60/51/818556051.db2.gz ZDXHJCBPGZRKTJ-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1C ZINC001233251406 818556056 /nfs/dbraw/zinc/55/60/56/818556056.db2.gz ZDXHJCBPGZRKTJ-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP Cc1cnsc1CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001233321210 818578954 /nfs/dbraw/zinc/57/89/54/818578954.db2.gz DZVJFIVRBSGXCG-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cnsc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001233321210 818578959 /nfs/dbraw/zinc/57/89/59/818578959.db2.gz DZVJFIVRBSGXCG-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cnsc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001233321210 818578965 /nfs/dbraw/zinc/57/89/65/818578965.db2.gz DZVJFIVRBSGXCG-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cnsc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001233321210 818578971 /nfs/dbraw/zinc/57/89/71/818578971.db2.gz DZVJFIVRBSGXCG-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cnsc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001233321210 818578978 /nfs/dbraw/zinc/57/89/78/818578978.db2.gz DZVJFIVRBSGXCG-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234998727 818974420 /nfs/dbraw/zinc/97/44/20/818974420.db2.gz JDZHDXZYYACDEX-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234998727 818974427 /nfs/dbraw/zinc/97/44/27/818974427.db2.gz JDZHDXZYYACDEX-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023936 818979909 /nfs/dbraw/zinc/97/99/09/818979909.db2.gz GQVKMXIJSMPKQK-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023936 818979912 /nfs/dbraw/zinc/97/99/12/818979912.db2.gz GQVKMXIJSMPKQK-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038009 818985853 /nfs/dbraw/zinc/98/58/53/818985853.db2.gz LETVKKFEPBCBLY-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038009 818985857 /nfs/dbraw/zinc/98/58/57/818985857.db2.gz LETVKKFEPBCBLY-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)CC2)cc1 ZINC001235037015 818986247 /nfs/dbraw/zinc/98/62/47/818986247.db2.gz BCDZFPPRAZCMIJ-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091599 818999680 /nfs/dbraw/zinc/99/96/80/818999680.db2.gz FSTDNDFIVAIZOW-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091898 818999878 /nfs/dbraw/zinc/99/98/78/818999878.db2.gz DTFGJRBIGYHVBD-UHFFFAOYSA-N 2 1 264.457 3.422 20 0 CGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(C)c1F ZINC001235094505 819000772 /nfs/dbraw/zinc/00/07/72/819000772.db2.gz YRWJONPWLJGAED-UHFFFAOYSA-N 2 1 276.399 3.018 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125266 819011488 /nfs/dbraw/zinc/01/14/88/819011488.db2.gz OKAHPJSQDVLGTI-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125266 819011491 /nfs/dbraw/zinc/01/14/91/819011491.db2.gz OKAHPJSQDVLGTI-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235143266 819014530 /nfs/dbraw/zinc/01/45/30/819014530.db2.gz BFHKOCIEKNQYDG-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc2c1NCC2 ZINC001235156506 819017770 /nfs/dbraw/zinc/01/77/70/819017770.db2.gz HBVNIWQMQLTOQT-LJQANCHMSA-N 2 1 299.462 3.009 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192502 819032577 /nfs/dbraw/zinc/03/25/77/819032577.db2.gz CBBXRZPGQDBQQZ-NMBNSIPYSA-N 2 1 264.457 3.444 20 0 CGADMP FC1(F)CC[C@@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235222836 819039849 /nfs/dbraw/zinc/03/98/49/819039849.db2.gz PLKRDMCOYATQKS-HIFRSBDPSA-N 2 1 286.410 3.276 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1c[nH]c3cc(Cl)ccc13)C2 ZINC001235245537 819047139 /nfs/dbraw/zinc/04/71/39/819047139.db2.gz QSJGHMLJCTVMNN-MLGOLLRUSA-N 2 1 289.810 3.135 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1c[nH]c3cc(Cl)ccc13)C2 ZINC001235245537 819047141 /nfs/dbraw/zinc/04/71/41/819047141.db2.gz QSJGHMLJCTVMNN-MLGOLLRUSA-N 2 1 289.810 3.135 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235252887 819049374 /nfs/dbraw/zinc/04/93/74/819049374.db2.gz ADEJWSPFBKRIMP-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235255247 819052312 /nfs/dbraw/zinc/05/23/12/819052312.db2.gz LYOKVCWJRIDQKI-YBVPMBIDSA-N 2 1 250.430 3.325 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC001235276545 819061825 /nfs/dbraw/zinc/06/18/25/819061825.db2.gz ZHTCMHRXLRDYIB-XJKSGUPXSA-N 2 1 278.465 3.275 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC001235276545 819061832 /nfs/dbraw/zinc/06/18/32/819061832.db2.gz ZHTCMHRXLRDYIB-XJKSGUPXSA-N 2 1 278.465 3.275 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235400429 819084467 /nfs/dbraw/zinc/08/44/67/819084467.db2.gz CXOVVLLSYMHSOZ-MOPGFXCFSA-N 2 1 298.405 3.363 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405135 819087663 /nfs/dbraw/zinc/08/76/63/819087663.db2.gz NVIVULBLSGKFOB-HZPDHXFCSA-N 2 1 296.817 3.172 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405135 819087668 /nfs/dbraw/zinc/08/76/68/819087668.db2.gz NVIVULBLSGKFOB-HZPDHXFCSA-N 2 1 296.817 3.172 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405133 819087697 /nfs/dbraw/zinc/08/76/97/819087697.db2.gz NVIVULBLSGKFOB-CVEARBPZSA-N 2 1 296.817 3.172 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405133 819087702 /nfs/dbraw/zinc/08/77/02/819087702.db2.gz NVIVULBLSGKFOB-CVEARBPZSA-N 2 1 296.817 3.172 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc2[nH]1 ZINC001235426690 819092660 /nfs/dbraw/zinc/09/26/60/819092660.db2.gz QAMCFHBHOLIHKO-ZWKOTPCHSA-N 2 1 297.446 3.380 20 0 CGADMP CCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426672 819093129 /nfs/dbraw/zinc/09/31/29/819093129.db2.gz PVTRFUKSFIQJMA-HZPDHXFCSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235423968 819093441 /nfs/dbraw/zinc/09/34/41/819093441.db2.gz HNDVQGKTRJRUCJ-MOPGFXCFSA-N 2 1 286.463 3.249 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c(Cl)c1 ZINC001235431725 819096812 /nfs/dbraw/zinc/09/68/12/819096812.db2.gz BKEIUBFPZBGYPF-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@H+](Cc1ccc2ccsc2c1)CC1CC[NH2+]CC1 ZINC001235434004 819098296 /nfs/dbraw/zinc/09/82/96/819098296.db2.gz WGROGQPJXLGHTD-UHFFFAOYSA-N 2 1 274.433 3.333 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001235661909 819132423 /nfs/dbraw/zinc/13/24/23/819132423.db2.gz RBBHXHUKQSMNQW-GFCCVEGCSA-N 2 1 264.438 3.158 20 0 CGADMP C[N@@H+](CCCc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235670521 819134218 /nfs/dbraw/zinc/13/42/18/819134218.db2.gz UGCBTIOMGDRKSS-UHFFFAOYSA-N 2 1 280.415 3.354 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235674297 819135483 /nfs/dbraw/zinc/13/54/83/819135483.db2.gz REDIOLJZXBLNCP-JKSUJKDBSA-N 2 1 252.446 3.430 20 0 CGADMP Fc1ccccc1[C@H]1CCCC[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001235681298 819140271 /nfs/dbraw/zinc/14/02/71/819140271.db2.gz XQPHPTVOPFLZJO-MRXNPFEDSA-N 2 1 294.389 3.444 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC001235693138 819143777 /nfs/dbraw/zinc/14/37/77/819143777.db2.gz SGUSYGWLTRIUEJ-IBGZPJMESA-N 2 1 296.414 3.189 20 0 CGADMP C[N@@H+](CCCC1CCCC1)CCC1CC[NH2+]CC1 ZINC001235715939 819149942 /nfs/dbraw/zinc/14/99/42/819149942.db2.gz YOMUSDXZUFQUCZ-UHFFFAOYSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1ccc(F)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235716774 819150154 /nfs/dbraw/zinc/15/01/54/819150154.db2.gz KSOWYFGWBBCYAJ-UHFFFAOYSA-N 2 1 282.378 3.095 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2ccc3cccccc2-3)CC1 ZINC001235724602 819152974 /nfs/dbraw/zinc/15/29/74/819152974.db2.gz ACEJIFICCQRPIL-UHFFFAOYSA-N 2 1 268.404 3.365 20 0 CGADMP [NH3+]CCCC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001235795615 819168752 /nfs/dbraw/zinc/16/87/52/819168752.db2.gz OBVGPKBZYNXCEV-IBGZPJMESA-N 2 1 280.415 3.373 20 0 CGADMP CC1(C[N@H+]2CCSC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC001235808391 819172036 /nfs/dbraw/zinc/17/20/36/819172036.db2.gz CKVKDROAEOCMPK-MRXNPFEDSA-N 2 1 290.476 3.166 20 0 CGADMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cccc(Cl)c12 ZINC001235810924 819174537 /nfs/dbraw/zinc/17/45/37/819174537.db2.gz PVZGZRCIDVQFIG-CLLJXQQHSA-N 2 1 289.810 3.275 20 0 CGADMP Clc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001235828300 819178295 /nfs/dbraw/zinc/17/82/95/819178295.db2.gz ZVARHWIDYKMRRA-UONOGXRCSA-N 2 1 278.827 3.129 20 0 CGADMP C[N@H+](CCc1ccc(Cl)cc1)CC[C@@H]1CCCC[NH2+]1 ZINC001235840580 819181682 /nfs/dbraw/zinc/18/16/82/819181682.db2.gz PXJUHOHAPFLNAM-INIZCTEOSA-N 2 1 280.843 3.347 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841405 819183831 /nfs/dbraw/zinc/18/38/31/819183831.db2.gz FIJZAZJSZYUHEK-HZPDHXFCSA-N 2 1 252.446 3.300 20 0 CGADMP Clc1ccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001235881104 819195145 /nfs/dbraw/zinc/19/51/45/819195145.db2.gz DULAKUPAVOVOLG-WCQYABFASA-N 2 1 299.245 3.392 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001235881104 819195147 /nfs/dbraw/zinc/19/51/47/819195147.db2.gz DULAKUPAVOVOLG-WCQYABFASA-N 2 1 299.245 3.392 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001235925175 819222924 /nfs/dbraw/zinc/22/29/24/819222924.db2.gz KNGBQZVDMOENON-LBPRGKRZSA-N 2 1 277.799 3.135 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925115 819223648 /nfs/dbraw/zinc/22/36/48/819223648.db2.gz BAEFKJYAGBYJSF-NSHDSACASA-N 2 1 284.856 3.375 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925115 819223654 /nfs/dbraw/zinc/22/36/54/819223654.db2.gz BAEFKJYAGBYJSF-NSHDSACASA-N 2 1 284.856 3.375 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235925250 819224104 /nfs/dbraw/zinc/22/41/04/819224104.db2.gz MZAQMFNHMAGXRH-BPUTZDHNSA-N 2 1 278.827 3.257 20 0 CGADMP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925729 819225069 /nfs/dbraw/zinc/22/50/69/819225069.db2.gz YRMKNVFZIZXGOV-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925729 819225073 /nfs/dbraw/zinc/22/50/73/819225073.db2.gz YRMKNVFZIZXGOV-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235926249 819226438 /nfs/dbraw/zinc/22/64/38/819226438.db2.gz VFTVZIZWMXXJIO-INIZCTEOSA-N 2 1 276.424 3.095 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235934523 819230889 /nfs/dbraw/zinc/23/08/89/819230889.db2.gz BJLGRKUJKVWKAY-NEPJUHHUSA-N 2 1 296.867 3.103 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235934523 819230894 /nfs/dbraw/zinc/23/08/94/819230894.db2.gz BJLGRKUJKVWKAY-NEPJUHHUSA-N 2 1 296.867 3.103 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)c1 ZINC001235935450 819232635 /nfs/dbraw/zinc/23/26/35/819232635.db2.gz DQDSDGWRJWOCSO-IRXDYDNUSA-N 2 1 298.455 3.456 20 0 CGADMP c1ccc(CC[N@H+](CCC2C[NH2+]C2)Cc2ccccc2)cc1 ZINC001235948221 819238117 /nfs/dbraw/zinc/23/81/17/819238117.db2.gz LULWAKAVNZUDQS-UHFFFAOYSA-N 2 1 294.442 3.341 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001235952494 819243007 /nfs/dbraw/zinc/24/30/07/819243007.db2.gz YBWINFFGJRSRQZ-INIZCTEOSA-N 2 1 290.451 3.052 20 0 CGADMP Cc1cccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1OC(C)C ZINC001235956743 819244248 /nfs/dbraw/zinc/24/42/48/819244248.db2.gz HBCMGDLWEREFKZ-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1cccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1OC(C)C ZINC001235956743 819244254 /nfs/dbraw/zinc/24/42/54/819244254.db2.gz HBCMGDLWEREFKZ-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957632 819246387 /nfs/dbraw/zinc/24/63/87/819246387.db2.gz QWLZPOJKSSMXMF-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC001235961672 819249014 /nfs/dbraw/zinc/24/90/14/819249014.db2.gz DGQPGXLCAPYFHY-MRXNPFEDSA-N 2 1 264.388 3.180 20 0 CGADMP CCC[N@@H+](Cc1cccc(Br)c1)C[C@@H]([NH3+])CC ZINC001235962223 819251416 /nfs/dbraw/zinc/25/14/16/819251416.db2.gz IFTIWHCMYBYRLX-AWEZNQCLSA-N 2 1 299.256 3.398 20 0 CGADMP CCC[N@H+](Cc1cccc(Br)c1)C[C@@H]([NH3+])CC ZINC001235962223 819251422 /nfs/dbraw/zinc/25/14/22/819251422.db2.gz IFTIWHCMYBYRLX-AWEZNQCLSA-N 2 1 299.256 3.398 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001235975103 819255181 /nfs/dbraw/zinc/25/51/81/819255181.db2.gz WDUQUEAXXJXOQV-INIZCTEOSA-N 2 1 296.842 3.312 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981907 819258512 /nfs/dbraw/zinc/25/85/12/819258512.db2.gz SOVYZAMXIPDGGT-MOPGFXCFSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981907 819258522 /nfs/dbraw/zinc/25/85/22/819258522.db2.gz SOVYZAMXIPDGGT-MOPGFXCFSA-N 2 1 278.399 3.277 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981853 819259304 /nfs/dbraw/zinc/25/93/04/819259304.db2.gz XUXDRFZTTIGSIU-ARFHVFGLSA-N 2 1 250.430 3.182 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235985471 819259937 /nfs/dbraw/zinc/25/99/37/819259937.db2.gz CDSOWCJEROZLBD-IEBWSBKVSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235985471 819259942 /nfs/dbraw/zinc/25/99/42/819259942.db2.gz CDSOWCJEROZLBD-IEBWSBKVSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235985475 819260786 /nfs/dbraw/zinc/26/07/86/819260786.db2.gz CDSOWCJEROZLBD-MJGOQNOKSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235985475 819260794 /nfs/dbraw/zinc/26/07/94/819260794.db2.gz CDSOWCJEROZLBD-MJGOQNOKSA-N 2 1 296.389 3.416 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccc(C[NH3+])cc2)Cc2ccccc21 ZINC001236085335 819306919 /nfs/dbraw/zinc/30/69/19/819306919.db2.gz NOANPCCLPADGJO-UHFFFAOYSA-N 2 1 280.415 3.439 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236094301 819311990 /nfs/dbraw/zinc/31/19/90/819311990.db2.gz ALQNCNRPMYGFEL-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236094301 819311998 /nfs/dbraw/zinc/31/19/98/819311998.db2.gz ALQNCNRPMYGFEL-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(Cc3ccccc3)cc2)CCC[NH2+]1 ZINC001236101845 819319085 /nfs/dbraw/zinc/31/90/85/819319085.db2.gz ZSWIGGZPEVLTET-KRWDZBQOSA-N 2 1 294.442 3.461 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cc3ccccc3)cc2)CCC[NH2+]1 ZINC001236101845 819319089 /nfs/dbraw/zinc/31/90/89/819319089.db2.gz ZSWIGGZPEVLTET-KRWDZBQOSA-N 2 1 294.442 3.461 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]CC1 ZINC001236123951 819331464 /nfs/dbraw/zinc/33/14/64/819331464.db2.gz INKSKRLFRFDLRK-MRXNPFEDSA-N 2 1 294.389 3.491 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236194243 819363850 /nfs/dbraw/zinc/36/38/50/819363850.db2.gz UVKFYQJHNRNJEL-WBMJQRKESA-N 2 1 257.381 3.042 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236211053 819372384 /nfs/dbraw/zinc/37/23/84/819372384.db2.gz GOIGNAOEBXDPSJ-IAGOWNOFSA-N 2 1 276.424 3.176 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236211053 819372390 /nfs/dbraw/zinc/37/23/90/819372390.db2.gz GOIGNAOEBXDPSJ-IAGOWNOFSA-N 2 1 276.424 3.176 20 0 CGADMP C[N@H+](Cc1c[nH]c2cccc(F)c12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212436 819374331 /nfs/dbraw/zinc/37/43/31/819374331.db2.gz LMMZPXLXDWXCFN-UKRRQHHQSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cccc(F)c12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212436 819374340 /nfs/dbraw/zinc/37/43/40/819374340.db2.gz LMMZPXLXDWXCFN-UKRRQHHQSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213215 819375631 /nfs/dbraw/zinc/37/56/31/819375631.db2.gz AMKRQCKUOCFITC-QZTJIDSGSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213215 819375638 /nfs/dbraw/zinc/37/56/38/819375638.db2.gz AMKRQCKUOCFITC-QZTJIDSGSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@H+](Cc1ccccc1-n1cccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215396 819378993 /nfs/dbraw/zinc/37/89/93/819378993.db2.gz HTRUKEUTEWOYTD-AEFFLSMTSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](Cc1ccccc1-n1cccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215396 819379000 /nfs/dbraw/zinc/37/90/00/819379000.db2.gz HTRUKEUTEWOYTD-AEFFLSMTSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](CCCc1cccc(Cl)c1)C1(C)CC[NH2+]CC1 ZINC001236224030 819389864 /nfs/dbraw/zinc/38/98/64/819389864.db2.gz QHUIVBDUGLCAIL-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236245730 819403201 /nfs/dbraw/zinc/40/32/01/819403201.db2.gz VDBSZKBMVDOQKT-LSDHHAIUSA-N 2 1 270.461 3.031 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236245730 819403203 /nfs/dbraw/zinc/40/32/03/819403203.db2.gz VDBSZKBMVDOQKT-LSDHHAIUSA-N 2 1 270.461 3.031 20 0 CGADMP c1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]2)C2CCSCC2)cc1 ZINC001236265802 819410839 /nfs/dbraw/zinc/41/08/39/819410839.db2.gz MZHSJNISZBXSON-INIZCTEOSA-N 2 1 290.476 3.136 20 0 CGADMP c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]2)C2CCSCC2)cc1 ZINC001236265802 819410843 /nfs/dbraw/zinc/41/08/43/819410843.db2.gz MZHSJNISZBXSON-INIZCTEOSA-N 2 1 290.476 3.136 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])CCc1ccc(OC)cc1 ZINC001236302737 819416201 /nfs/dbraw/zinc/41/62/01/819416201.db2.gz DUNJEGGRCGPEOM-UHFFFAOYSA-N 2 1 278.440 3.079 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001236308606 819418484 /nfs/dbraw/zinc/41/84/84/819418484.db2.gz UHMWOQBLZBYDPG-YJNKXOJESA-N 2 1 286.410 3.132 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001236308606 819418486 /nfs/dbraw/zinc/41/84/86/819418486.db2.gz UHMWOQBLZBYDPG-YJNKXOJESA-N 2 1 286.410 3.132 20 0 CGADMP c1c(C[N@H+]2CCCC3(CCC3)C2)sc2c1CC[NH2+]C2 ZINC001236322591 819424447 /nfs/dbraw/zinc/42/44/47/819424447.db2.gz PWDCKVGBSDPYPL-UHFFFAOYSA-N 2 1 276.449 3.160 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236321416 819424673 /nfs/dbraw/zinc/42/46/73/819424673.db2.gz MEVSXWKTDQDRLD-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP C(C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)C1CC1 ZINC001236373165 819441494 /nfs/dbraw/zinc/44/14/94/819441494.db2.gz UKLVLNQBNPMMLM-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)C1CC1 ZINC001236373164 819441616 /nfs/dbraw/zinc/44/16/16/819441616.db2.gz UKLVLNQBNPMMLM-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236408425 819456239 /nfs/dbraw/zinc/45/62/39/819456239.db2.gz LVNLUJNRYVBHEA-AWEZNQCLSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC001236411344 819457760 /nfs/dbraw/zinc/45/77/60/819457760.db2.gz GASADWFSFRMXGX-PMOLBWCYSA-N 2 1 292.426 3.312 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC001236411344 819457764 /nfs/dbraw/zinc/45/77/64/819457764.db2.gz GASADWFSFRMXGX-PMOLBWCYSA-N 2 1 292.426 3.312 20 0 CGADMP CC[N@H+](Cc1ccc(OC)c(C(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236410275 819457798 /nfs/dbraw/zinc/45/77/98/819457798.db2.gz XYUFLYYIQBRUJG-INIZCTEOSA-N 2 1 290.451 3.250 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCCCCc1ccccc1 ZINC001236417205 819463971 /nfs/dbraw/zinc/46/39/71/819463971.db2.gz XSTVULADWQFMBW-WBVHZDCISA-N 2 1 260.425 3.211 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236433866 819476601 /nfs/dbraw/zinc/47/66/01/819476601.db2.gz IWRZLFSIGRZRKX-HUUCEWRRSA-N 2 1 256.409 3.132 20 0 CGADMP CC(C)[N@@H+](C[C@H](C)OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236469722 819491039 /nfs/dbraw/zinc/49/10/39/819491039.db2.gz WABGNTLRFMJQOZ-FUHWJXTLSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)[N@H+](C[C@H](C)OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236469722 819491042 /nfs/dbraw/zinc/49/10/42/819491042.db2.gz WABGNTLRFMJQOZ-FUHWJXTLSA-N 2 1 290.451 3.054 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@@H]2C[C@@H]2C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491926 819501580 /nfs/dbraw/zinc/50/15/80/819501580.db2.gz HWBSOWUHPCJPMM-HOCLYGCPSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1ccc(C[N@H+](C[C@@H]2C[C@@H]2C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491926 819501583 /nfs/dbraw/zinc/50/15/83/819501583.db2.gz HWBSOWUHPCJPMM-HOCLYGCPSA-N 2 1 290.426 3.344 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236616918 819553359 /nfs/dbraw/zinc/55/33/59/819553359.db2.gz SIHLNAVQGRGGGH-FQEVSTJZSA-N 2 1 294.442 3.448 20 0 CGADMP CCC(CC)[N@@H+](CC[C@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781951 819593089 /nfs/dbraw/zinc/59/30/89/819593089.db2.gz CIFGLPRKQRYWCI-JFIYKMOQSA-N 3 1 295.515 3.279 20 0 CGADMP CCC[N@H+](Cc1coc2ccc(F)cc12)C[C@H]1CC[NH2+]C1 ZINC001236833429 819612874 /nfs/dbraw/zinc/61/28/74/819612874.db2.gz BDNBWOMVKWSMFN-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP CCC[N@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236834166 819613741 /nfs/dbraw/zinc/61/37/41/819613741.db2.gz DZYDYZOCUPFDED-AWEZNQCLSA-N 2 1 298.377 3.110 20 0 CGADMP CCC[N@H+](Cc1cccc2c1CCCC2)C[C@H]1CC[NH2+]C1 ZINC001236843213 819618812 /nfs/dbraw/zinc/61/88/12/819618812.db2.gz LSDILOFQDHLJAN-INIZCTEOSA-N 2 1 286.463 3.387 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1CC ZINC001237057889 819656903 /nfs/dbraw/zinc/65/69/03/819656903.db2.gz OKMMMAVVENXARM-GOSISDBHSA-N 2 1 290.451 3.209 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc(C)c1F ZINC001237057488 819657154 /nfs/dbraw/zinc/65/71/54/819657154.db2.gz NIXGUGXKLISHIV-MRXNPFEDSA-N 2 1 264.388 3.003 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237082794 819663674 /nfs/dbraw/zinc/66/36/74/819663674.db2.gz SYMWJUSNSURNJD-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237082794 819663676 /nfs/dbraw/zinc/66/36/76/819663676.db2.gz SYMWJUSNSURNJD-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237147969 819680403 /nfs/dbraw/zinc/68/04/03/819680403.db2.gz ZSNOWERAQKPAJA-QGZVFWFLSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1ccccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237147969 819680408 /nfs/dbraw/zinc/68/04/08/819680408.db2.gz ZSNOWERAQKPAJA-QGZVFWFLSA-N 2 1 258.409 3.102 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001237187801 819692520 /nfs/dbraw/zinc/69/25/20/819692520.db2.gz KZQBRUOPBHMLPX-PPUGGXLSSA-N 2 1 272.436 3.343 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001237258818 819710700 /nfs/dbraw/zinc/71/07/00/819710700.db2.gz OSKCRHPGULCWQT-DAXOMENPSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001237258818 819710701 /nfs/dbraw/zinc/71/07/01/819710701.db2.gz OSKCRHPGULCWQT-DAXOMENPSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001237258818 819710704 /nfs/dbraw/zinc/71/07/04/819710704.db2.gz OSKCRHPGULCWQT-DAXOMENPSA-N 2 1 294.389 3.097 20 0 CGADMP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](CCCC[NH3+])C2)cc1 ZINC001237266014 819712500 /nfs/dbraw/zinc/71/25/00/819712500.db2.gz SYTLACKTEIKWEU-MRXNPFEDSA-N 2 1 290.451 3.392 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1(C)C ZINC001237374710 819736879 /nfs/dbraw/zinc/73/68/79/819736879.db2.gz ILOQHTGCPQEUHG-BBWFWOEESA-N 2 1 276.468 3.443 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1(C)C ZINC001237374710 819736882 /nfs/dbraw/zinc/73/68/82/819736882.db2.gz ILOQHTGCPQEUHG-BBWFWOEESA-N 2 1 276.468 3.443 20 0 CGADMP Clc1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384368 819739456 /nfs/dbraw/zinc/73/94/56/819739456.db2.gz VVJWPQFCXFGDJL-DOTOQJQBSA-N 2 1 292.854 3.347 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc21 ZINC001237388976 819741709 /nfs/dbraw/zinc/74/17/09/819741709.db2.gz FBAXCZALRJZZEB-QZTJIDSGSA-N 2 1 297.446 3.235 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237391323 819741878 /nfs/dbraw/zinc/74/18/78/819741878.db2.gz KYQNDJCQLCZQBY-PKOBYXMFSA-N 2 1 296.414 3.119 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237411290 819747600 /nfs/dbraw/zinc/74/76/00/819747600.db2.gz FFESNUYJZOOAAU-HOCLYGCPSA-N 2 1 270.376 3.007 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2c(c1)CCCC2 ZINC001237419323 819748962 /nfs/dbraw/zinc/74/89/62/819748962.db2.gz ZWRSLYWKJNMKSB-HKUYNNGSSA-N 2 1 284.447 3.139 20 0 CGADMP Cc1ccnc2cccc(C[NH+]3CCC([NH+]4CCC4)CC3)c12 ZINC001237626308 819790000 /nfs/dbraw/zinc/79/00/00/819790000.db2.gz FTUDISDUAGXKNG-UHFFFAOYSA-N 2 1 295.430 3.213 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@@]34CCOC4)cc21 ZINC001237888741 819873412 /nfs/dbraw/zinc/87/34/12/819873412.db2.gz DIKDCIYCRUYULW-IBGZPJMESA-N 2 1 298.430 3.053 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@]34CCOC4)cc21 ZINC001237888741 819873421 /nfs/dbraw/zinc/87/34/21/819873421.db2.gz DIKDCIYCRUYULW-IBGZPJMESA-N 2 1 298.430 3.053 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001238112321 819935483 /nfs/dbraw/zinc/93/54/83/819935483.db2.gz CYLKTMMGZQLWNU-OAHLLOKOSA-N 2 1 292.386 3.109 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001238112321 819935488 /nfs/dbraw/zinc/93/54/88/819935488.db2.gz CYLKTMMGZQLWNU-OAHLLOKOSA-N 2 1 292.386 3.109 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1F ZINC001238515296 820034773 /nfs/dbraw/zinc/03/47/73/820034773.db2.gz JNGWSPRYVCYPQV-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1F ZINC001238515296 820034785 /nfs/dbraw/zinc/03/47/85/820034785.db2.gz JNGWSPRYVCYPQV-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001238515296 820034793 /nfs/dbraw/zinc/03/47/93/820034793.db2.gz JNGWSPRYVCYPQV-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001238515296 820034803 /nfs/dbraw/zinc/03/48/03/820034803.db2.gz JNGWSPRYVCYPQV-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCC[NH2+]C3)cc12 ZINC001240668809 821230344 /nfs/dbraw/zinc/23/03/44/821230344.db2.gz CPHXQPROCUTIOR-QGZVFWFLSA-N 2 1 295.430 3.181 20 0 CGADMP CC[NH+]1CCCC[C@@H]1c1ccc(C2=CCC[N@@H+](C)C2)nc1 ZINC001241569354 821953526 /nfs/dbraw/zinc/95/35/26/821953526.db2.gz VRTKBGKRXSRRPR-GOSISDBHSA-N 2 1 285.435 3.347 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(OCC[NH+](C)C)cc1 ZINC001242150709 822895414 /nfs/dbraw/zinc/89/54/14/822895414.db2.gz WEJQQGPLGWUWTA-UHFFFAOYSA-N 2 1 299.418 3.063 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC001340517702 936407058 /nfs/dbraw/zinc/40/70/58/936407058.db2.gz VKDCHEUEKZDBLR-SOUVJXGZSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2ncoc2C(C)C)CC1 ZINC001341636096 936445486 /nfs/dbraw/zinc/44/54/86/936445486.db2.gz XZVOFMCFIAWDQI-UHFFFAOYSA-N 2 1 293.455 3.352 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCCC(F)(F)F)CC1 ZINC001342780022 936479310 /nfs/dbraw/zinc/47/93/10/936479310.db2.gz RQEZTSPTUICFQB-UHFFFAOYSA-N 2 1 266.351 3.135 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@H]2C1 ZINC001343334389 936495551 /nfs/dbraw/zinc/49/55/51/936495551.db2.gz SFBBNWAOHPLHFC-QBPKDAKJSA-N 2 1 262.441 3.005 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC001474504163 937864097 /nfs/dbraw/zinc/86/40/97/937864097.db2.gz CAOBEQNQDACWKL-VYDXJSESSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1ccccc1OC(F)F ZINC001345483029 936812041 /nfs/dbraw/zinc/81/20/41/936812041.db2.gz PXXADQDWFROCMI-AAEUAGOBSA-N 2 1 286.366 3.327 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC001350092481 936977901 /nfs/dbraw/zinc/97/79/01/936977901.db2.gz KCEDKILXALUEGH-HNNXBMFYSA-N 2 1 264.438 3.022 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccccc2F)CC1 ZINC000341855626 927269539 /nfs/dbraw/zinc/26/95/39/927269539.db2.gz PSZJAXXFYXYFBE-UHFFFAOYSA-N 2 1 287.382 3.390 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001308555031 928531057 /nfs/dbraw/zinc/53/10/57/928531057.db2.gz UHRNGXROPWNZQP-BPKGMFCQSA-N 2 1 264.457 3.133 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cccc2c1NCCC2 ZINC001308968961 928554669 /nfs/dbraw/zinc/55/46/69/928554669.db2.gz LFMRVSCMKKASMV-UHFFFAOYSA-N 2 1 289.467 3.064 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc2c1NCCC2 ZINC001308968961 928554674 /nfs/dbraw/zinc/55/46/74/928554674.db2.gz LFMRVSCMKKASMV-UHFFFAOYSA-N 2 1 289.467 3.064 20 0 CGADMP Cc1cccc([C@@H](C)[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001460559570 937534376 /nfs/dbraw/zinc/53/43/76/937534376.db2.gz JOQGZIOJCZYZBY-NXHRZFHOSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001460559570 937534378 /nfs/dbraw/zinc/53/43/78/937534378.db2.gz JOQGZIOJCZYZBY-NXHRZFHOSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001460559570 937534380 /nfs/dbraw/zinc/53/43/80/937534380.db2.gz JOQGZIOJCZYZBY-NXHRZFHOSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001460559570 937534383 /nfs/dbraw/zinc/53/43/83/937534383.db2.gz JOQGZIOJCZYZBY-NXHRZFHOSA-N 2 1 272.436 3.330 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001460800754 937546058 /nfs/dbraw/zinc/54/60/58/937546058.db2.gz KDABKVJVFVAPBX-HOTGVXAUSA-N 2 1 275.440 3.274 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001461034923 937560625 /nfs/dbraw/zinc/56/06/25/937560625.db2.gz IAWOBAVRBFNNDV-UHFFFAOYSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC001461119189 937564651 /nfs/dbraw/zinc/56/46/51/937564651.db2.gz LAYVTCSMQVIVBW-UHFFFAOYSA-N 2 1 287.407 3.016 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001461181839 937568201 /nfs/dbraw/zinc/56/82/01/937568201.db2.gz NGTWFBWJSGXZCG-ZDUSSCGKSA-N 2 1 298.377 3.028 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC001461181839 937568203 /nfs/dbraw/zinc/56/82/03/937568203.db2.gz NGTWFBWJSGXZCG-ZDUSSCGKSA-N 2 1 298.377 3.028 20 0 CGADMP C[C@H](c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1)[NH+](C)C ZINC001229625909 932180536 /nfs/dbraw/zinc/18/05/36/932180536.db2.gz IYJNLDKWVQEKCO-KBEGMRNHSA-N 2 1 288.435 3.313 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](Oc2ccc(CC[NH+](C)C)cc2)C1 ZINC001229660800 932185569 /nfs/dbraw/zinc/18/55/69/932185569.db2.gz WRWPRSBFBVRUOH-GOSISDBHSA-N 2 1 290.451 3.042 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001461372305 937577893 /nfs/dbraw/zinc/57/78/93/937577893.db2.gz BOFVDPGETYDDJI-KZNAEPCWSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC001461365876 937578117 /nfs/dbraw/zinc/57/81/17/937578117.db2.gz SYNPVZRYBQXDSG-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001461899665 937605247 /nfs/dbraw/zinc/60/52/47/937605247.db2.gz OTZYOWJWVAGYCD-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccn2C(F)F)CC1 ZINC001461932876 937607576 /nfs/dbraw/zinc/60/75/76/937607576.db2.gz FLQRPSUVDKRWOX-UHFFFAOYSA-N 2 1 299.409 3.435 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)s3)C[C@@H]2C1 ZINC001233699730 932685094 /nfs/dbraw/zinc/68/50/94/932685094.db2.gz BQEZXVYJNXMDPT-GASCZTMLSA-N 2 1 278.465 3.139 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(C)s3)C[C@@H]2C1 ZINC001233699730 932685097 /nfs/dbraw/zinc/68/50/97/932685097.db2.gz BQEZXVYJNXMDPT-GASCZTMLSA-N 2 1 278.465 3.139 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(C)s3)C[C@@H]2C1 ZINC001233699730 932685099 /nfs/dbraw/zinc/68/50/99/932685099.db2.gz BQEZXVYJNXMDPT-GASCZTMLSA-N 2 1 278.465 3.139 20 0 CGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CC1CCC1)C2 ZINC001308057549 933040013 /nfs/dbraw/zinc/04/00/13/933040013.db2.gz ZFMKILCEIYBYIK-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CC1CCC1)C2 ZINC001308057549 933040016 /nfs/dbraw/zinc/04/00/16/933040016.db2.gz ZFMKILCEIYBYIK-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@]12C[NH+](CC3CCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001308057549 933040019 /nfs/dbraw/zinc/04/00/19/933040019.db2.gz ZFMKILCEIYBYIK-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@]12C[NH+](CC3CCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001308057549 933040021 /nfs/dbraw/zinc/04/00/21/933040021.db2.gz ZFMKILCEIYBYIK-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(C2CCCCC2)CC1 ZINC001308143191 933056662 /nfs/dbraw/zinc/05/66/62/933056662.db2.gz NDGXDGLFHINXPT-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001308585739 933138276 /nfs/dbraw/zinc/13/82/76/933138276.db2.gz IXBFFLYEUDFOJK-IAGOWNOFSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308983458 933221706 /nfs/dbraw/zinc/22/17/06/933221706.db2.gz DSHRVTSUNMJJTN-AALSBFMBSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319200011 933841317 /nfs/dbraw/zinc/84/13/17/933841317.db2.gz AWAJRYZBXBYJDF-XOKHGSTOSA-N 2 1 278.415 3.219 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001319284864 933852912 /nfs/dbraw/zinc/85/29/12/933852912.db2.gz YXDFFDUNGWPKII-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001319284864 933852915 /nfs/dbraw/zinc/85/29/15/933852915.db2.gz YXDFFDUNGWPKII-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP Fc1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC001320752877 934098426 /nfs/dbraw/zinc/09/84/26/934098426.db2.gz FBCATUSXVKDKAW-KRWDZBQOSA-N 2 1 290.426 3.176 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001321409823 934183222 /nfs/dbraw/zinc/18/32/22/934183222.db2.gz DVOXXYVYVKNPMY-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001321409823 934183226 /nfs/dbraw/zinc/18/32/26/934183226.db2.gz DVOXXYVYVKNPMY-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC001322626371 934320827 /nfs/dbraw/zinc/32/08/27/934320827.db2.gz OMOKXFAZSYZWAA-PQAZSJQKSA-N 2 1 274.399 3.273 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001322641956 934324127 /nfs/dbraw/zinc/32/41/27/934324127.db2.gz FTHVRGVEZBHIAK-QKPAOTATSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2F)C1 ZINC001323977620 934444888 /nfs/dbraw/zinc/44/48/88/934444888.db2.gz PCVOZUAJQHPZIK-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2F)C1 ZINC001323977620 934444896 /nfs/dbraw/zinc/44/48/96/934444896.db2.gz PCVOZUAJQHPZIK-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP CN(CC[NH+]1CCCCC1)c1cc[nH+]cc1C(F)(F)F ZINC001472813054 937785368 /nfs/dbraw/zinc/78/53/68/937785368.db2.gz JXCZOLILVJRAKJ-UHFFFAOYSA-N 2 1 287.329 3.023 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC001325721625 934924386 /nfs/dbraw/zinc/92/43/86/934924386.db2.gz KGYNLQQBNTVJQZ-WCQYABFASA-N 2 1 290.407 3.398 20 0 CGADMP Fc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC001325743432 934926149 /nfs/dbraw/zinc/92/61/49/934926149.db2.gz NHJJIJNMDGWWSX-NWANDNLSSA-N 2 1 296.817 3.489 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)C1CCCCC1 ZINC001327051694 935025553 /nfs/dbraw/zinc/02/55/53/935025553.db2.gz CYUMJFFRNPCICH-UHFFFAOYSA-N 2 1 263.429 3.301 20 0 CGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@H](C)[NH2+]C ZINC001329023010 935179407 /nfs/dbraw/zinc/17/94/07/935179407.db2.gz JBBKXYKPAOFOPT-NWDGAFQWSA-N 2 1 284.831 3.387 20 0 CGADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1 ZINC001329226413 935198303 /nfs/dbraw/zinc/19/83/03/935198303.db2.gz YMDWXDSSRHSYKE-JKSUJKDBSA-N 2 1 296.503 3.047 20 0 CGADMP c1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530202 935293597 /nfs/dbraw/zinc/29/35/97/935293597.db2.gz WEWYUQSARCYTSH-KXBFYZLASA-N 2 1 299.462 3.272 20 0 CGADMP C[C@@H](COc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331516911 935387243 /nfs/dbraw/zinc/38/72/43/935387243.db2.gz AUVCFMDNZVLXBX-KBPBESRZSA-N 2 1 294.414 3.055 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC001332230503 935451246 /nfs/dbraw/zinc/45/12/46/935451246.db2.gz FXXAPGHGMOHLHL-JONQDZQNSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)=CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001473739292 937819894 /nfs/dbraw/zinc/81/98/94/937819894.db2.gz MUXWAAKSBSCVSZ-UHFFFAOYSA-N 2 1 252.446 3.252 20 0 CGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(OC)cc1C ZINC001474325986 937851923 /nfs/dbraw/zinc/85/19/23/937851923.db2.gz RHYOAYPBHHXUJC-SJORKVTESA-N 2 1 288.435 3.062 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(OC)cc1C ZINC001474325986 937851925 /nfs/dbraw/zinc/85/19/25/937851925.db2.gz RHYOAYPBHHXUJC-SJORKVTESA-N 2 1 288.435 3.062 20 0 CGADMP CC(C)CCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001474347993 937853511 /nfs/dbraw/zinc/85/35/11/937853511.db2.gz AHGYCBWKBSNQBJ-KRWDZBQOSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)CCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001474347993 937853513 /nfs/dbraw/zinc/85/35/13/937853513.db2.gz AHGYCBWKBSNQBJ-KRWDZBQOSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)CCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001474347993 937853515 /nfs/dbraw/zinc/85/35/15/937853515.db2.gz AHGYCBWKBSNQBJ-KRWDZBQOSA-N 2 1 266.473 3.476 20 0 CGADMP CC[N@H+](CCCc1ccc(F)c(F)c1)CCC[NH+](C)C ZINC001474501272 937863056 /nfs/dbraw/zinc/86/30/56/937863056.db2.gz TXLLDYCSLXZNJO-UHFFFAOYSA-N 2 1 284.394 3.171 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC001474504163 937864091 /nfs/dbraw/zinc/86/40/91/937864091.db2.gz CAOBEQNQDACWKL-VYDXJSESSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC001474504163 937864093 /nfs/dbraw/zinc/86/40/93/937864093.db2.gz CAOBEQNQDACWKL-VYDXJSESSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC001474504163 937864095 /nfs/dbraw/zinc/86/40/95/937864095.db2.gz CAOBEQNQDACWKL-VYDXJSESSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549087562 938155091 /nfs/dbraw/zinc/15/50/91/938155091.db2.gz RNYRXVBSQQBXBV-FUHWJXTLSA-N 2 1 288.435 3.035 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001550354214 938166136 /nfs/dbraw/zinc/16/61/36/938166136.db2.gz YQVNMPKQUNVOLI-DZKIICNBSA-N 2 1 270.436 3.354 20 0 CGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)F)c(F)c1)C2 ZINC001550705610 938170297 /nfs/dbraw/zinc/17/02/97/938170297.db2.gz XKDWGAPEBBRNDU-BLLLJJGKSA-N 2 1 298.352 3.324 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC34CCC4)CC[NH2+]2)cc1 ZINC001551379395 938180804 /nfs/dbraw/zinc/18/08/04/938180804.db2.gz NVIPIHMYQMMSJY-OWCLPIDISA-N 2 1 256.393 3.012 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055732 938242771 /nfs/dbraw/zinc/24/27/71/938242771.db2.gz LDARGUOFYMNUMT-IKGGRYGDSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001560055732 938242772 /nfs/dbraw/zinc/24/27/72/938242772.db2.gz LDARGUOFYMNUMT-IKGGRYGDSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001560055732 938242773 /nfs/dbraw/zinc/24/27/73/938242773.db2.gz LDARGUOFYMNUMT-IKGGRYGDSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](C)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001560155929 938245635 /nfs/dbraw/zinc/24/56/35/938245635.db2.gz YCHNZZQKKKUNJD-ZNMIVQPWSA-N 2 1 261.413 3.027 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(CC)CCOCC1 ZINC001560320959 938252847 /nfs/dbraw/zinc/25/28/47/938252847.db2.gz VIVOKGYQXGHXNH-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(CC)CCOCC1 ZINC001560320959 938252848 /nfs/dbraw/zinc/25/28/48/938252848.db2.gz VIVOKGYQXGHXNH-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC(C)(C)C1 ZINC001560621832 938265951 /nfs/dbraw/zinc/26/59/51/938265951.db2.gz BLGDNMCXFSJJQD-UVPYHEFZSA-N 2 1 264.457 3.131 20 0 CGADMP CCc1cccc(Cl)c1CN[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001560623419 938266517 /nfs/dbraw/zinc/26/65/17/938266517.db2.gz WTYMSHAFXMGTMW-UKPHBRMFSA-N 2 1 292.854 3.332 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001560623419 938266519 /nfs/dbraw/zinc/26/65/19/938266519.db2.gz WTYMSHAFXMGTMW-UKPHBRMFSA-N 2 1 292.854 3.332 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001560623419 938266521 /nfs/dbraw/zinc/26/65/21/938266521.db2.gz WTYMSHAFXMGTMW-UKPHBRMFSA-N 2 1 292.854 3.332 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(C(C)C)CC2)C[C@@H]1C ZINC001560636704 938267248 /nfs/dbraw/zinc/26/72/48/938267248.db2.gz LQAUEROUZSQYOS-GJZGRUSLSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C(C)C)CC2)C[C@@H]1C ZINC001560636704 938267250 /nfs/dbraw/zinc/26/72/50/938267250.db2.gz LQAUEROUZSQYOS-GJZGRUSLSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C(C)C)CC2)C[C@@H]1C ZINC001560636704 938267251 /nfs/dbraw/zinc/26/72/51/938267251.db2.gz LQAUEROUZSQYOS-GJZGRUSLSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc(C)n1 ZINC001560727574 938272784 /nfs/dbraw/zinc/27/27/84/938272784.db2.gz MNLCWXKUCUKKBH-UHFFFAOYSA-N 2 1 275.440 3.003 20 0 CGADMP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(C)n1 ZINC001560727574 938272786 /nfs/dbraw/zinc/27/27/86/938272786.db2.gz MNLCWXKUCUKKBH-UHFFFAOYSA-N 2 1 275.440 3.003 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001560852642 938279578 /nfs/dbraw/zinc/27/95/78/938279578.db2.gz RWPQHZNYGKUVQF-GOSISDBHSA-N 2 1 287.451 3.036 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001560852642 938279579 /nfs/dbraw/zinc/27/95/79/938279579.db2.gz RWPQHZNYGKUVQF-GOSISDBHSA-N 2 1 287.451 3.036 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001560852642 938279580 /nfs/dbraw/zinc/27/95/80/938279580.db2.gz RWPQHZNYGKUVQF-GOSISDBHSA-N 2 1 287.451 3.036 20 0 CGADMP CCCCO[C@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1(C)C ZINC001560870302 938281170 /nfs/dbraw/zinc/28/11/70/938281170.db2.gz DKPFPJRTEMUXIJ-PMPSAXMXSA-N 2 1 284.488 3.289 20 0 CGADMP CCCCO[C@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1(C)C ZINC001560870302 938281171 /nfs/dbraw/zinc/28/11/71/938281171.db2.gz DKPFPJRTEMUXIJ-PMPSAXMXSA-N 2 1 284.488 3.289 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001560882237 938281873 /nfs/dbraw/zinc/28/18/73/938281873.db2.gz FHNPHSUJEAWFAA-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001560882237 938281874 /nfs/dbraw/zinc/28/18/74/938281874.db2.gz FHNPHSUJEAWFAA-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(CC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](N)C1)C1CC1 ZINC001575304434 962364867 /nfs/dbraw/zinc/36/48/67/962364867.db2.gz BCVRDMCLTYPPHW-DLBZAZTESA-N 2 1 290.426 3.379 20 0 CGADMP CC(C)(CC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](N)C1)C1CC1 ZINC001575304434 962364871 /nfs/dbraw/zinc/36/48/71/962364871.db2.gz BCVRDMCLTYPPHW-DLBZAZTESA-N 2 1 290.426 3.379 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001575423393 962372591 /nfs/dbraw/zinc/37/25/91/962372591.db2.gz TWBGNIGNLGUIMJ-CGTJXYLNSA-N 2 1 274.452 3.170 20 0 CGADMP CC(C)[N@@H+](C[C@@]12C[C@@H]1C[NH2+]C2)[C@H](C)c1ccsc1 ZINC001575690662 962409753 /nfs/dbraw/zinc/40/97/53/962409753.db2.gz NGVQCDWDXHDNBF-YUELXQCFSA-N 2 1 264.438 3.129 20 0 CGADMP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC001575647992 962411102 /nfs/dbraw/zinc/41/11/02/962411102.db2.gz DYLVKFZLKALKHF-RBSFLKMASA-N 2 1 262.441 3.314 20 0 CGADMP CC(C)[N@@H+](CCC1C[NH2+]C1)[C@H](C)c1ccsc1 ZINC001575690291 962411975 /nfs/dbraw/zinc/41/19/75/962411975.db2.gz GJXGEKWFPJZJQG-GFCCVEGCSA-N 2 1 252.427 3.129 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC001575656475 962411801 /nfs/dbraw/zinc/41/18/01/962411801.db2.gz ZARFOYXKKKSQJP-PBHICJAKSA-N 2 1 260.425 3.054 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C(C)(C)c1ccccc1 ZINC001576237827 962448342 /nfs/dbraw/zinc/44/83/42/962448342.db2.gz ABBFNJHSMLLWGY-YPMHNXCESA-N 2 1 288.357 3.222 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001576435011 962461650 /nfs/dbraw/zinc/46/16/50/962461650.db2.gz NWHFNFRLVLFRTA-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)CC[NH2+]C1 ZINC001576503938 962469001 /nfs/dbraw/zinc/46/90/01/962469001.db2.gz XYMZHHHMRWDEAQ-RDJZCZTQSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001576524553 962469613 /nfs/dbraw/zinc/46/96/13/962469613.db2.gz SRPXXDPWPYYJGN-SFHVURJKSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001576627731 962475868 /nfs/dbraw/zinc/47/58/68/962475868.db2.gz VESLCDUIFOOCKO-BFYDXBDKSA-N 2 1 258.409 3.069 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001576635940 962478420 /nfs/dbraw/zinc/47/84/20/962478420.db2.gz GARGPRPVRBUSQR-OVYGPGRDSA-N 2 1 264.457 3.405 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC001576680058 962482106 /nfs/dbraw/zinc/48/21/06/962482106.db2.gz XYXXCHRGHKRTAP-QZWWFDLISA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC001576648671 962483420 /nfs/dbraw/zinc/48/34/20/962483420.db2.gz ONELUVKHUUDKIU-FGTMMUONSA-N 2 1 295.515 3.233 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC2(CC[NH2+]CC2)O1 ZINC001576800581 962493060 /nfs/dbraw/zinc/49/30/60/962493060.db2.gz KJWYJFUGIKDZJB-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3ccccc3cc2OC)CC[C@H]1[NH3+] ZINC001577279412 962523201 /nfs/dbraw/zinc/52/32/01/962523201.db2.gz GLWVHMLPIIOOGT-KBXCAEBGSA-N 2 1 298.430 3.408 20 0 CGADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C1(C[NH3+])CCCCC1 ZINC001578490873 962592904 /nfs/dbraw/zinc/59/29/04/962592904.db2.gz YSFDEBKSRSALEF-UHFFFAOYSA-N 2 1 298.377 3.381 20 0 CGADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C1(C[NH3+])CCCCC1 ZINC001578490873 962592915 /nfs/dbraw/zinc/59/29/15/962592915.db2.gz YSFDEBKSRSALEF-UHFFFAOYSA-N 2 1 298.377 3.381 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CCO1 ZINC001579470805 962626728 /nfs/dbraw/zinc/62/67/28/962626728.db2.gz GQAVVGUTEIOIFM-AHCXZYCDSA-N 2 1 294.483 3.174 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c(Cl)c1 ZINC001579697159 962657094 /nfs/dbraw/zinc/65/70/94/962657094.db2.gz ZUUANRANJGAXDY-ZIAGYGMSSA-N 2 1 264.800 3.008 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)[C@H](C)C2 ZINC001579737738 962665848 /nfs/dbraw/zinc/66/58/48/962665848.db2.gz OAGOEARJSXGNGD-OSMZGAPFSA-N 2 1 286.341 3.098 20 0 CGADMP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC001580031097 962688610 /nfs/dbraw/zinc/68/86/10/962688610.db2.gz UQDDRMRXTSUICU-DUXHTMCSSA-N 2 1 292.373 3.054 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC001580031097 962688621 /nfs/dbraw/zinc/68/86/21/962688621.db2.gz UQDDRMRXTSUICU-DUXHTMCSSA-N 2 1 292.373 3.054 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)C1CCCC1 ZINC001580228394 962708002 /nfs/dbraw/zinc/70/80/02/962708002.db2.gz ACIJKIVKTAJVJE-IMRCBTMISA-N 2 1 294.389 3.318 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)C1CCCCC1 ZINC001580228460 962709723 /nfs/dbraw/zinc/70/97/23/962709723.db2.gz BSVHPFAZTCWCPB-MOPGFXCFSA-N 2 1 286.463 3.431 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C)c2)[C@H](C)C1 ZINC000294951241 199266798 /nfs/dbraw/zinc/26/67/98/199266798.db2.gz VOGJLNVOPGPGCE-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C)c2)[C@H](C)C1 ZINC000294951241 199266800 /nfs/dbraw/zinc/26/68/00/199266800.db2.gz VOGJLNVOPGPGCE-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C)c2)[C@H](C)C1 ZINC000294951241 199266802 /nfs/dbraw/zinc/26/68/02/199266802.db2.gz VOGJLNVOPGPGCE-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C)c2)[C@H](C)C1 ZINC000294951241 199266803 /nfs/dbraw/zinc/26/68/03/199266803.db2.gz VOGJLNVOPGPGCE-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)oc1C ZINC000337390009 214049228 /nfs/dbraw/zinc/04/92/28/214049228.db2.gz KESSDUZARWDBLD-OCCSQVGLSA-N 2 1 264.413 3.279 20 0 CGADMP Clc1cccc(CCCC[N@H+]2CCn3cncc3C2)c1 ZINC000621296021 349491097 /nfs/dbraw/zinc/49/10/97/349491097.db2.gz DBGBLMBVBJHEIW-UHFFFAOYSA-N 2 1 289.810 3.375 20 0 CGADMP Clc1cccc(CCCCN2CCn3cncc3C2)c1 ZINC000621296021 349491099 /nfs/dbraw/zinc/49/10/99/349491099.db2.gz DBGBLMBVBJHEIW-UHFFFAOYSA-N 2 1 289.810 3.375 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)s1 ZINC000621355850 349505906 /nfs/dbraw/zinc/50/59/06/349505906.db2.gz ZGWRCIGJMOVROM-NSHDSACASA-N 2 1 275.421 3.071 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000651228786 398219108 /nfs/dbraw/zinc/21/91/08/398219108.db2.gz AUDVCSPUZXVTNQ-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](C)C2)C1 ZINC000337629966 214189124 /nfs/dbraw/zinc/18/91/24/214189124.db2.gz CNXACTOJHQYECL-HOTGVXAUSA-N 2 1 272.436 3.370 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000651672822 398266590 /nfs/dbraw/zinc/26/65/90/398266590.db2.gz MBANPKPKYYBKCB-NUEKZKHPSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705034 398271815 /nfs/dbraw/zinc/27/18/15/398271815.db2.gz DWQLCWICCQWBQT-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705035 398271970 /nfs/dbraw/zinc/27/19/70/398271970.db2.gz DWQLCWICCQWBQT-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000651786449 398287916 /nfs/dbraw/zinc/28/79/16/398287916.db2.gz YQGCGUFGBSLMIX-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000651786449 398287918 /nfs/dbraw/zinc/28/79/18/398287918.db2.gz YQGCGUFGBSLMIX-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000337945072 214325336 /nfs/dbraw/zinc/32/53/36/214325336.db2.gz HOVKZDSGBCUQRZ-UHFFFAOYSA-N 2 1 287.338 3.257 20 0 CGADMP CC[C@H]1CCC[C@@H](C[NH2+]CCCn2cc[nH+]c2C)C1 ZINC000337946585 214325887 /nfs/dbraw/zinc/32/58/87/214325887.db2.gz OPXITPPAUIXRKC-JKSUJKDBSA-N 2 1 263.429 3.388 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cs1 ZINC000651864859 398298230 /nfs/dbraw/zinc/29/82/30/398298230.db2.gz HDXMVFDTHIKIMB-UHFFFAOYSA-N 2 1 254.443 3.124 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cs1 ZINC000651864859 398298231 /nfs/dbraw/zinc/29/82/31/398298231.db2.gz HDXMVFDTHIKIMB-UHFFFAOYSA-N 2 1 254.443 3.124 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337997562 214351617 /nfs/dbraw/zinc/35/16/17/214351617.db2.gz RURWFFYKPXXDNL-YQFWSFKMSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337997562 214351620 /nfs/dbraw/zinc/35/16/20/214351620.db2.gz RURWFFYKPXXDNL-YQFWSFKMSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1COC(C)(C)C1)C1CCCCC1 ZINC000651910134 398304482 /nfs/dbraw/zinc/30/44/82/398304482.db2.gz IGIMVTALQJFLCM-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000338014987 214361183 /nfs/dbraw/zinc/36/11/83/214361183.db2.gz IUHNGYCUNGMSCZ-GFCCVEGCSA-N 2 1 285.382 3.385 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000338018081 214364623 /nfs/dbraw/zinc/36/46/23/214364623.db2.gz HNJAQJMLBGKKJB-LBPRGKRZSA-N 2 1 263.429 3.242 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423486585 529453601 /nfs/dbraw/zinc/45/36/01/529453601.db2.gz ZOMSWKUAVIJMQR-UONOGXRCSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccc2c(c1)OCCO2 ZINC000423289020 529590888 /nfs/dbraw/zinc/59/08/88/529590888.db2.gz VSEGQOKNRBNLSS-AWEZNQCLSA-N 2 1 292.423 3.016 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC1(C)C ZINC000414080819 529592171 /nfs/dbraw/zinc/59/21/71/529592171.db2.gz DMJTYKGORKGSTD-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1ccccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283131 529579969 /nfs/dbraw/zinc/57/99/69/529579969.db2.gz AULZCDQIOIKEQR-HNNXBMFYSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000423353367 529605611 /nfs/dbraw/zinc/60/56/11/529605611.db2.gz BLQJBJAPNBZNSI-DOMZBBRYSA-N 2 1 250.361 3.009 20 0 CGADMP COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623342650 349783827 /nfs/dbraw/zinc/78/38/27/349783827.db2.gz GYEQPDIZRXXCFP-GXTWGEPZSA-N 2 1 294.414 3.358 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623342650 349783834 /nfs/dbraw/zinc/78/38/34/349783834.db2.gz GYEQPDIZRXXCFP-GXTWGEPZSA-N 2 1 294.414 3.358 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)CC1(C)C ZINC000623336433 349780607 /nfs/dbraw/zinc/78/06/07/349780607.db2.gz NQOMZJMMCJFYAY-OAHLLOKOSA-N 2 1 285.435 3.173 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000623338215 349781793 /nfs/dbraw/zinc/78/17/93/349781793.db2.gz QGOGYHLEVAPXTR-NWDGAFQWSA-N 2 1 252.427 3.272 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000270683103 282206964 /nfs/dbraw/zinc/20/69/64/282206964.db2.gz VLQHGNCAJXEXCA-OAHLLOKOSA-N 2 1 273.380 3.402 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000270683103 282206965 /nfs/dbraw/zinc/20/69/65/282206965.db2.gz VLQHGNCAJXEXCA-OAHLLOKOSA-N 2 1 273.380 3.402 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc(Cl)c1 ZINC000423260556 529619116 /nfs/dbraw/zinc/61/91/16/529619116.db2.gz HMSVOBHRJAJOSW-KBPBESRZSA-N 2 1 254.805 3.364 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000423436602 529650911 /nfs/dbraw/zinc/65/09/11/529650911.db2.gz FKBBAGGTYTVKCT-NRUUGDAUSA-N 2 1 285.229 3.226 20 0 CGADMP CCc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424287118 529639030 /nfs/dbraw/zinc/63/90/30/529639030.db2.gz IOUFBWZCQZNEDP-HNNXBMFYSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cc(F)ccc1F ZINC000423373814 529659644 /nfs/dbraw/zinc/65/96/44/529659644.db2.gz JOPAIVARVBMZBL-NVBFEUDRSA-N 2 1 268.351 3.146 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1OC ZINC000423526373 529668455 /nfs/dbraw/zinc/66/84/55/529668455.db2.gz LIJXVXCGFZYNQY-JKSUJKDBSA-N 2 1 276.424 3.253 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)CC1(C)C ZINC000623410978 349801680 /nfs/dbraw/zinc/80/16/80/349801680.db2.gz ORFYVNSBBGRKCV-CABCVRRESA-N 2 1 288.435 3.015 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1(C)C ZINC000623424388 349804691 /nfs/dbraw/zinc/80/46/91/349804691.db2.gz PIEAOEXZWQYFGA-JYJNAYRXSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623432481 349807523 /nfs/dbraw/zinc/80/75/23/349807523.db2.gz UJVSEEYFSYFMQC-DZGCQCFKSA-N 2 1 278.440 3.372 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccnc1 ZINC000623442467 349810649 /nfs/dbraw/zinc/81/06/49/349810649.db2.gz PCSIPYSIUJVSLU-IAGOWNOFSA-N 2 1 289.467 3.284 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)CC1(C)C ZINC000623446955 349811381 /nfs/dbraw/zinc/81/13/81/349811381.db2.gz YBXFBYWKAUQDHI-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623445357 349811426 /nfs/dbraw/zinc/81/14/26/349811426.db2.gz NSFRZCPIIXSACI-AWEZNQCLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@]1(C)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351329110 219091899 /nfs/dbraw/zinc/09/18/99/219091899.db2.gz OJEJPQIVKMBAOP-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351329110 219091902 /nfs/dbraw/zinc/09/19/02/219091902.db2.gz OJEJPQIVKMBAOP-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351329110 219091903 /nfs/dbraw/zinc/09/19/03/219091903.db2.gz OJEJPQIVKMBAOP-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126849053 187265797 /nfs/dbraw/zinc/26/57/97/187265797.db2.gz NBKVGOVQFALEKU-KBPBESRZSA-N 2 1 266.454 3.348 20 0 CGADMP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126849053 187265798 /nfs/dbraw/zinc/26/57/98/187265798.db2.gz NBKVGOVQFALEKU-KBPBESRZSA-N 2 1 266.454 3.348 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCC2)CC1(C)C ZINC000623539246 349829356 /nfs/dbraw/zinc/82/93/56/349829356.db2.gz GXUVFKLKLXTIEF-CQSZACIVSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623564666 349836640 /nfs/dbraw/zinc/83/66/40/349836640.db2.gz MTDCTOLKYPJOOM-QGZVFWFLSA-N 2 1 274.452 3.308 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)CC1 ZINC000623572812 349838079 /nfs/dbraw/zinc/83/80/79/349838079.db2.gz ODCAFBLEJUGODR-XSCHDIRWSA-N 2 1 270.436 3.366 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)CC1 ZINC000623572811 349838134 /nfs/dbraw/zinc/83/81/34/349838134.db2.gz ODCAFBLEJUGODR-VXGQWTEUSA-N 2 1 270.436 3.366 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656173 349856717 /nfs/dbraw/zinc/85/67/17/349856717.db2.gz OOCHGWCVXBVMOQ-BJIFSAINSA-N 2 1 288.435 3.030 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000623657246 349857651 /nfs/dbraw/zinc/85/76/51/349857651.db2.gz MCHIHDFHLRWBEI-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CC=CCC2)CC1(C)C ZINC000623698559 349868504 /nfs/dbraw/zinc/86/85/04/349868504.db2.gz MSHFCNOVXPZUMO-HUUCEWRRSA-N 2 1 250.430 3.195 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC=CCC2)CC1(C)C ZINC000623698557 349869096 /nfs/dbraw/zinc/86/90/96/349869096.db2.gz MSHFCNOVXPZUMO-CABCVRRESA-N 2 1 250.430 3.195 20 0 CGADMP COc1cc(C)ccc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623729166 349871953 /nfs/dbraw/zinc/87/19/53/349871953.db2.gz QTJQWWLDRGUVBA-KRWDZBQOSA-N 2 1 288.435 3.110 20 0 CGADMP COc1cc(C)ccc1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000623729166 349871959 /nfs/dbraw/zinc/87/19/59/349871959.db2.gz QTJQWWLDRGUVBA-KRWDZBQOSA-N 2 1 288.435 3.110 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCCO1 ZINC000623864367 349899236 /nfs/dbraw/zinc/89/92/36/349899236.db2.gz MWRUIAHJRAJGRB-YESZJQIVSA-N 2 1 282.472 3.188 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2coc3ccccc23)CC1 ZINC000355054327 530051354 /nfs/dbraw/zinc/05/13/54/530051354.db2.gz KPTVGDGZRMRECC-UHFFFAOYSA-N 2 1 284.403 3.493 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000366166119 530052160 /nfs/dbraw/zinc/05/21/60/530052160.db2.gz XXWVOVFKDOOCAF-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCSC2(CCC2)CC1 ZINC000411872620 530052269 /nfs/dbraw/zinc/05/22/69/530052269.db2.gz VXGCREALHDDJSL-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCSC2(CCC2)CC1 ZINC000411872620 530052270 /nfs/dbraw/zinc/05/22/70/530052270.db2.gz VXGCREALHDDJSL-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411872620 530052271 /nfs/dbraw/zinc/05/22/71/530052271.db2.gz VXGCREALHDDJSL-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCSC2(CCC2)CC1 ZINC000411872620 530052272 /nfs/dbraw/zinc/05/22/72/530052272.db2.gz VXGCREALHDDJSL-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP CSc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622254 344964319 /nfs/dbraw/zinc/96/43/19/344964319.db2.gz YLMIXUSMPFWYPS-HNNXBMFYSA-N 2 1 278.465 3.228 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCCCO1 ZINC000623957645 349928137 /nfs/dbraw/zinc/92/81/37/349928137.db2.gz PMJIANQKIKRRQG-BVIKNXMNSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@@H+](Cc1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110316 345532978 /nfs/dbraw/zinc/53/29/78/345532978.db2.gz JKLMYFGUACZYKX-LJQANCHMSA-N 2 1 295.430 3.036 20 0 CGADMP C[N@H+](Cc1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110316 345532980 /nfs/dbraw/zinc/53/29/80/345532980.db2.gz JKLMYFGUACZYKX-LJQANCHMSA-N 2 1 295.430 3.036 20 0 CGADMP C[NH+](Cc1ccncc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110316 345532981 /nfs/dbraw/zinc/53/29/81/345532981.db2.gz JKLMYFGUACZYKX-LJQANCHMSA-N 2 1 295.430 3.036 20 0 CGADMP C[NH+](Cc1ccncc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110316 345532983 /nfs/dbraw/zinc/53/29/83/345532983.db2.gz JKLMYFGUACZYKX-LJQANCHMSA-N 2 1 295.430 3.036 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC000295117366 199353674 /nfs/dbraw/zinc/35/36/74/199353674.db2.gz WWNWPCZMEGYLSC-CTRGQFNUSA-N 2 1 294.389 3.283 20 0 CGADMP CC[N@H+](C)Cc1cccc(CNc2cc(C)cc[nH+]2)c1 ZINC000091457223 345814850 /nfs/dbraw/zinc/81/48/50/345814850.db2.gz UTKPHBOELJLGQX-UHFFFAOYSA-N 2 1 269.392 3.454 20 0 CGADMP CC[N@@H+](C)Cc1cccc(CNc2cc(C)cc[nH+]2)c1 ZINC000091457223 345814852 /nfs/dbraw/zinc/81/48/52/345814852.db2.gz UTKPHBOELJLGQX-UHFFFAOYSA-N 2 1 269.392 3.454 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000094279041 345898010 /nfs/dbraw/zinc/89/80/10/345898010.db2.gz DGUVWTDCVYPGQM-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@@H+]1C ZINC000129966337 346053348 /nfs/dbraw/zinc/05/33/48/346053348.db2.gz NLCWCXLGIISXIJ-FVCCEPFGSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@H+]1C ZINC000129966337 346053349 /nfs/dbraw/zinc/05/33/49/346053349.db2.gz NLCWCXLGIISXIJ-FVCCEPFGSA-N 2 1 278.362 3.180 20 0 CGADMP CCC[N@@H+](C/C=C\c1ccccc1)C1CC[NH2+]CC1 ZINC000210458767 346285211 /nfs/dbraw/zinc/28/52/11/346285211.db2.gz IIIIVXYBMYKXMW-TWGQIWQCSA-N 2 1 258.409 3.164 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000249875575 346383920 /nfs/dbraw/zinc/38/39/20/346383920.db2.gz IIFGHTVKOWEAMX-HOCLYGCPSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251185082 346388040 /nfs/dbraw/zinc/38/80/40/346388040.db2.gz XBNKIPYTOVRJPN-SJORKVTESA-N 2 1 258.409 3.102 20 0 CGADMP Cc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251185082 346388041 /nfs/dbraw/zinc/38/80/41/346388041.db2.gz XBNKIPYTOVRJPN-SJORKVTESA-N 2 1 258.409 3.102 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000314987615 346482530 /nfs/dbraw/zinc/48/25/30/346482530.db2.gz YLGRLSSKPYWCDK-MRXNPFEDSA-N 2 1 275.440 3.445 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000394556373 346576943 /nfs/dbraw/zinc/57/69/43/346576943.db2.gz CUVOFORPRIXJCR-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423091769 302126372 /nfs/dbraw/zinc/12/63/72/302126372.db2.gz YSGVJBBDQQRIJG-SMDDNHRTSA-N 2 1 286.341 3.186 20 0 CGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC[C@H](C)F)C1)CCCC2 ZINC000351821279 219215815 /nfs/dbraw/zinc/21/58/15/219215815.db2.gz HMNGDBXZPRCKNV-GXTWGEPZSA-N 2 1 279.403 3.065 20 0 CGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC[C@H](C)F)C1)CCCC2 ZINC000351821279 219215817 /nfs/dbraw/zinc/21/58/17/219215817.db2.gz HMNGDBXZPRCKNV-GXTWGEPZSA-N 2 1 279.403 3.065 20 0 CGADMP C[C@@H](F)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000351851434 219225862 /nfs/dbraw/zinc/22/58/62/219225862.db2.gz AFXIRWMFFXQUBK-CVEARBPZSA-N 2 1 270.436 3.178 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000351862491 219229669 /nfs/dbraw/zinc/22/96/69/219229669.db2.gz POIYMZOYUQNEEG-CABCVRRESA-N 2 1 290.451 3.032 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000624120082 349977125 /nfs/dbraw/zinc/97/71/25/349977125.db2.gz QZESBLRZXJVOKI-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(F)c1 ZINC000624120216 349977487 /nfs/dbraw/zinc/97/74/87/349977487.db2.gz UMXCBXMCGJMVNL-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(F)c1 ZINC000624120216 349977490 /nfs/dbraw/zinc/97/74/90/349977490.db2.gz UMXCBXMCGJMVNL-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120954 349979091 /nfs/dbraw/zinc/97/90/91/349979091.db2.gz KQBYRZFKEQABIZ-UONOGXRCSA-N 2 1 266.454 3.001 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000339381125 215136726 /nfs/dbraw/zinc/13/67/26/215136726.db2.gz ZJLALUJLQWAZPA-MRXNPFEDSA-N 2 1 290.426 3.491 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000339381125 215136728 /nfs/dbraw/zinc/13/67/28/215136728.db2.gz ZJLALUJLQWAZPA-MRXNPFEDSA-N 2 1 290.426 3.491 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000624122495 349981086 /nfs/dbraw/zinc/98/10/86/349981086.db2.gz SRLMNRKFRBHTBA-CRAIPNDOSA-N 2 1 272.436 3.459 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624122563 349982002 /nfs/dbraw/zinc/98/20/02/349982002.db2.gz VELXFOBPMRZDBP-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624122563 349982004 /nfs/dbraw/zinc/98/20/04/349982004.db2.gz VELXFOBPMRZDBP-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000339408206 215151562 /nfs/dbraw/zinc/15/15/62/215151562.db2.gz RJTRQPQCDQGJQY-XIRDDKMYSA-N 2 1 260.425 3.095 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123465 349982661 /nfs/dbraw/zinc/98/26/61/349982661.db2.gz MHWOIUAJFORCCD-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000608061448 348280770 /nfs/dbraw/zinc/28/07/70/348280770.db2.gz CISJOXBPRQTYEN-RHSMWYFYSA-N 2 1 260.425 3.211 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1nc(C)cs1 ZINC000273333810 192117068 /nfs/dbraw/zinc/11/70/68/192117068.db2.gz CSHOLIDCDGHJKS-ZDUSSCGKSA-N 2 1 278.425 3.087 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(N(C)C)c2)C[C@@H]1C ZINC000608564446 348318129 /nfs/dbraw/zinc/31/81/29/348318129.db2.gz LSUSWJDLEJNAQB-MAUKXSAKSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(N(C)C)c2)C[C@@H]1C ZINC000608564446 348318132 /nfs/dbraw/zinc/31/81/32/348318132.db2.gz LSUSWJDLEJNAQB-MAUKXSAKSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(N(C)C)c2)C[C@@H]1C ZINC000608564446 348318135 /nfs/dbraw/zinc/31/81/35/348318135.db2.gz LSUSWJDLEJNAQB-MAUKXSAKSA-N 2 1 289.467 3.057 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCSc2ccccc2)CC[N@H+]1C ZINC000358086775 233055816 /nfs/dbraw/zinc/05/58/16/233055816.db2.gz OSUYEZWXRRRAFC-LSDHHAIUSA-N 2 1 278.465 3.241 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC1 ZINC000358197358 233078028 /nfs/dbraw/zinc/07/80/28/233078028.db2.gz WZOWMKDADNRWRQ-RDJZCZTQSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC1 ZINC000358197358 233078032 /nfs/dbraw/zinc/07/80/32/233078032.db2.gz WZOWMKDADNRWRQ-RDJZCZTQSA-N 2 1 272.436 3.287 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000271208095 191001164 /nfs/dbraw/zinc/00/11/64/191001164.db2.gz GVLUQXDTMDBRHI-CQSZACIVSA-N 2 1 276.424 3.004 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000271208095 191001165 /nfs/dbraw/zinc/00/11/65/191001165.db2.gz GVLUQXDTMDBRHI-CQSZACIVSA-N 2 1 276.424 3.004 20 0 CGADMP C[C@H](OCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000359620427 233346377 /nfs/dbraw/zinc/34/63/77/233346377.db2.gz MOFPDKPCHOVGHB-XYJFISCASA-N 2 1 290.451 3.084 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000626063001 350254807 /nfs/dbraw/zinc/25/48/07/350254807.db2.gz NZJXFNSIFLZROT-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccsc1 ZINC000271357640 191092997 /nfs/dbraw/zinc/09/29/97/191092997.db2.gz ZJNHDOYLGXXVGY-GJZGRUSLSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000271357640 191092999 /nfs/dbraw/zinc/09/29/99/191092999.db2.gz ZJNHDOYLGXXVGY-GJZGRUSLSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000271357640 191093002 /nfs/dbraw/zinc/09/30/02/191093002.db2.gz ZJNHDOYLGXXVGY-GJZGRUSLSA-N 2 1 264.438 3.369 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC000628149283 350411818 /nfs/dbraw/zinc/41/18/18/350411818.db2.gz SPMMBEKKIPMEBQ-UHFFFAOYSA-N 2 1 285.435 3.474 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCS1 ZINC000628181440 350425883 /nfs/dbraw/zinc/42/58/83/350425883.db2.gz CKICFSGXQZWQQQ-JKSUJKDBSA-N 2 1 282.497 3.222 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000629547264 350709983 /nfs/dbraw/zinc/70/99/83/350709983.db2.gz SHTVVXRHXZHMGR-KSZJFAHPSA-N 2 1 278.827 3.316 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(c3c(F)cccc3F)CCC2)C1 ZINC000629555669 350712643 /nfs/dbraw/zinc/71/26/43/350712643.db2.gz AKZUKTTTYCEYPX-NWDGAFQWSA-N 2 1 280.362 3.204 20 0 CGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000629580701 350713674 /nfs/dbraw/zinc/71/36/74/350713674.db2.gz DXFZUMLPNPPRJO-LBPRGKRZSA-N 2 1 298.352 3.063 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1C(F)(F)F ZINC000629561804 350713758 /nfs/dbraw/zinc/71/37/58/350713758.db2.gz JPQWSHLNPSLEMW-QWHCGFSZSA-N 2 1 278.362 3.026 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1C(F)(F)F ZINC000629561805 350713928 /nfs/dbraw/zinc/71/39/28/350713928.db2.gz JPQWSHLNPSLEMW-STQMWFEESA-N 2 1 278.362 3.026 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000629587218 350714878 /nfs/dbraw/zinc/71/48/78/350714878.db2.gz ZHMUUZIKAGYHKU-MRXNPFEDSA-N 2 1 288.435 3.004 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccccc1SC ZINC000629388674 350686471 /nfs/dbraw/zinc/68/64/71/350686471.db2.gz OJNUSPQAZQJVMF-VHDGCEQUSA-N 2 1 278.465 3.070 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629395841 350688587 /nfs/dbraw/zinc/68/85/87/350688587.db2.gz GLNBJLWPGLNBGN-VYDXJSESSA-N 2 1 260.425 3.046 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC000629410472 350690145 /nfs/dbraw/zinc/69/01/45/350690145.db2.gz FHYDEXZNKUTQLD-ZFVVBOAOSA-N 2 1 276.399 3.192 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000629518406 350700740 /nfs/dbraw/zinc/70/07/40/350700740.db2.gz IWZYSOJWYUERPZ-BBWFWOEESA-N 2 1 287.451 3.073 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000629595420 350717012 /nfs/dbraw/zinc/71/70/12/350717012.db2.gz OYGNQCOOLLXKKH-REUDQUMMSA-N 2 1 250.430 3.054 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631577295 351073879 /nfs/dbraw/zinc/07/38/79/351073879.db2.gz PUHCNLKNZTXTFY-SFHVURJKSA-N 2 1 287.451 3.313 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2c1 ZINC000634688265 351573444 /nfs/dbraw/zinc/57/34/44/351573444.db2.gz NILNWXBSGCZZMO-SJLPKXTDSA-N 2 1 295.430 3.199 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2c1 ZINC000634688531 351574156 /nfs/dbraw/zinc/57/41/56/351574156.db2.gz VURPMWBZLZNELC-HOTGVXAUSA-N 2 1 295.430 3.056 20 0 CGADMP c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC23CC(C2)C[NH2+]3)cc1 ZINC000634994572 351619084 /nfs/dbraw/zinc/61/90/84/351619084.db2.gz HQDVKGUJXUKWAP-WBFMUSFHSA-N 2 1 282.431 3.149 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000123081421 187070038 /nfs/dbraw/zinc/07/00/38/187070038.db2.gz LCUURNSOFAPDFL-HLLBOEOZSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000123081421 187070039 /nfs/dbraw/zinc/07/00/39/187070039.db2.gz LCUURNSOFAPDFL-HLLBOEOZSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123081421 187070040 /nfs/dbraw/zinc/07/00/40/187070040.db2.gz LCUURNSOFAPDFL-HLLBOEOZSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123081421 187070041 /nfs/dbraw/zinc/07/00/41/187070041.db2.gz LCUURNSOFAPDFL-HLLBOEOZSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000123971836 187116273 /nfs/dbraw/zinc/11/62/73/187116273.db2.gz LWCQAFPQCIAXJD-GOEBONIOSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000123971836 187116274 /nfs/dbraw/zinc/11/62/74/187116274.db2.gz LWCQAFPQCIAXJD-GOEBONIOSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCOc2ccc(F)cc2)CC[NH+]1C ZINC000123971836 187116275 /nfs/dbraw/zinc/11/62/75/187116275.db2.gz LWCQAFPQCIAXJD-GOEBONIOSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCOc2ccc(F)cc2)CC[NH+]1C ZINC000123971836 187116276 /nfs/dbraw/zinc/11/62/76/187116276.db2.gz LWCQAFPQCIAXJD-GOEBONIOSA-N 2 1 294.414 3.009 20 0 CGADMP COC[C@@H](C)[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000352285474 219393223 /nfs/dbraw/zinc/39/32/23/219393223.db2.gz FWTVQLIIULEKDI-MRXNPFEDSA-N 2 1 292.467 3.111 20 0 CGADMP COC[C@@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000352285474 219393224 /nfs/dbraw/zinc/39/32/24/219393224.db2.gz FWTVQLIIULEKDI-MRXNPFEDSA-N 2 1 292.467 3.111 20 0 CGADMP COC[C@@H](C)[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000352285474 219393225 /nfs/dbraw/zinc/39/32/25/219393225.db2.gz FWTVQLIIULEKDI-MRXNPFEDSA-N 2 1 292.467 3.111 20 0 CGADMP COC[C@@H](C)[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352285474 219393227 /nfs/dbraw/zinc/39/32/27/219393227.db2.gz FWTVQLIIULEKDI-MRXNPFEDSA-N 2 1 292.467 3.111 20 0 CGADMP C[C@H](NCc1cnc2n1CCCC2)c1cc(F)cc(F)c1 ZINC000367439698 234215330 /nfs/dbraw/zinc/21/53/30/234215330.db2.gz WILZDKAFALSTBN-NSHDSACASA-N 2 1 291.345 3.348 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000271646464 191256248 /nfs/dbraw/zinc/25/62/48/191256248.db2.gz FJZMNNIUMSXJKJ-KRWDZBQOSA-N 2 1 269.392 3.241 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000152890555 188051122 /nfs/dbraw/zinc/05/11/22/188051122.db2.gz MEALFQPCYBOEHG-LBTNJELSSA-N 2 1 299.418 3.399 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000158148917 188360184 /nfs/dbraw/zinc/36/01/84/188360184.db2.gz BZWVRSFAGJQZBE-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000271842348 191361417 /nfs/dbraw/zinc/36/14/17/191361417.db2.gz KXRBVEBLSZSUKF-CRAIPNDOSA-N 2 1 290.451 3.184 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414192075 235360036 /nfs/dbraw/zinc/36/00/36/235360036.db2.gz SRXVVSNSCPEREZ-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414169613 235352845 /nfs/dbraw/zinc/35/28/45/235352845.db2.gz BDCAMKATJRHRSI-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000414201327 235362679 /nfs/dbraw/zinc/36/26/79/235362679.db2.gz YAJTXVOEEZYJKF-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]2CCC[C@@H]21 ZINC000353619640 283132171 /nfs/dbraw/zinc/13/21/71/283132171.db2.gz IDJUBUPMMVXYPS-IHRRRGAJSA-N 2 1 272.383 3.027 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000353601975 283132603 /nfs/dbraw/zinc/13/26/03/283132603.db2.gz CASRIWWJHDYUEK-HRCADAONSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000180348576 291082264 /nfs/dbraw/zinc/08/22/64/291082264.db2.gz IHEQJECPHUVVMH-HOCLYGCPSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000180348576 291082269 /nfs/dbraw/zinc/08/22/69/291082269.db2.gz IHEQJECPHUVVMH-HOCLYGCPSA-N 2 1 258.409 3.138 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414940484 235498464 /nfs/dbraw/zinc/49/84/64/235498464.db2.gz BOQDEGGQPILPNT-HIFRSBDPSA-N 2 1 284.403 3.079 20 0 CGADMP CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000273806983 192315373 /nfs/dbraw/zinc/31/53/73/192315373.db2.gz WFDCNIUPEGQYDC-NVXWUHKLSA-N 2 1 292.492 3.240 20 0 CGADMP COc1cccc([C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000123683808 138369005 /nfs/dbraw/zinc/36/90/05/138369005.db2.gz XVJSLQQDCSPGKV-XJKSGUPXSA-N 2 1 264.413 3.061 20 0 CGADMP C[C@@H]([NH3+])C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000110651748 138363676 /nfs/dbraw/zinc/36/36/76/138363676.db2.gz PUQJXOQTWJRPIQ-LLVKDONJSA-N 2 1 289.810 3.452 20 0 CGADMP CCO[C@H]1C[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124315938 138374340 /nfs/dbraw/zinc/37/43/40/138374340.db2.gz NUGGPLGGXMNRRX-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124315938 138374342 /nfs/dbraw/zinc/37/43/42/138374342.db2.gz NUGGPLGGXMNRRX-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1cc2ccccc2o1 ZINC000124895133 138378733 /nfs/dbraw/zinc/37/87/33/138378733.db2.gz LDTWFGYIKDDKRQ-OAHLLOKOSA-N 2 1 272.392 3.349 20 0 CGADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cc2ccccc2o1 ZINC000124895133 138378734 /nfs/dbraw/zinc/37/87/34/138378734.db2.gz LDTWFGYIKDDKRQ-OAHLLOKOSA-N 2 1 272.392 3.349 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cc2ccccc2o1 ZINC000124895133 138378735 /nfs/dbraw/zinc/37/87/35/138378735.db2.gz LDTWFGYIKDDKRQ-OAHLLOKOSA-N 2 1 272.392 3.349 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cc2ccccc2o1 ZINC000124895133 138378736 /nfs/dbraw/zinc/37/87/36/138378736.db2.gz LDTWFGYIKDDKRQ-OAHLLOKOSA-N 2 1 272.392 3.349 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cc2ccccc2o1 ZINC000124895133 138378737 /nfs/dbraw/zinc/37/87/37/138378737.db2.gz LDTWFGYIKDDKRQ-OAHLLOKOSA-N 2 1 272.392 3.349 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000127376998 138389196 /nfs/dbraw/zinc/38/91/96/138389196.db2.gz DUZGZGGKZVICCK-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC2(C1)CCCCC2 ZINC000127376998 138389197 /nfs/dbraw/zinc/38/91/97/138389197.db2.gz DUZGZGGKZVICCK-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2ccccc2s1 ZINC000423275914 236018896 /nfs/dbraw/zinc/01/88/96/236018896.db2.gz MHYSWTQWAOAMIH-GWCFXTLKSA-N 2 1 260.406 3.289 20 0 CGADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2nccs2)cc1 ZINC000423294600 236027461 /nfs/dbraw/zinc/02/74/61/236027461.db2.gz UYEZHGPNQVJLRO-MNOVXSKESA-N 2 1 261.394 3.014 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423301803 236030943 /nfs/dbraw/zinc/03/09/43/236030943.db2.gz GOBJQCBLPWSSKF-NEPJUHHUSA-N 2 1 275.421 3.056 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423316898 236035536 /nfs/dbraw/zinc/03/55/36/236035536.db2.gz BOQBNGWGQVOCJF-AMIZOPFISA-N 2 1 273.207 3.381 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000423321211 236037909 /nfs/dbraw/zinc/03/79/09/236037909.db2.gz NBFNRNNAQCRZFU-HUUCEWRRSA-N 2 1 264.800 3.118 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423334061 236041825 /nfs/dbraw/zinc/04/18/25/236041825.db2.gz SGMXEFFPMDDUFF-BBBLOLIVSA-N 2 1 291.222 3.086 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423358237 236049386 /nfs/dbraw/zinc/04/93/86/236049386.db2.gz BOQBNGWGQVOCJF-ISVAXAHUSA-N 2 1 273.207 3.381 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423363131 236050731 /nfs/dbraw/zinc/05/07/31/236050731.db2.gz BMQGYNGEBXKDKU-SUMWQHHRSA-N 2 1 272.367 3.046 20 0 CGADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000423380838 236057104 /nfs/dbraw/zinc/05/71/04/236057104.db2.gz YTVGFFDUKFDGFO-DZGCQCFKSA-N 2 1 274.433 3.277 20 0 CGADMP Cc1ccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C[C@H]3C)oc2c1 ZINC000423397201 236063114 /nfs/dbraw/zinc/06/31/14/236063114.db2.gz OGHPBWQEMLGLKA-IPYPFGDCSA-N 2 1 272.392 3.390 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423401314 236064049 /nfs/dbraw/zinc/06/40/49/236064049.db2.gz XDNOZUBIWJEGAH-MDZLAQPJSA-N 2 1 282.815 3.140 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1N(C)C ZINC000423530577 236093342 /nfs/dbraw/zinc/09/33/42/236093342.db2.gz PTBHHWSEMOFRAT-LRDDRELGSA-N 2 1 293.430 3.060 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3ccoc32)CC[N@@H+]1C ZINC000336226999 213055050 /nfs/dbraw/zinc/05/50/50/213055050.db2.gz AYWFEWRBYQNMJV-XJKSGUPXSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3ccoc32)CC[N@H+]1C ZINC000336226999 213055053 /nfs/dbraw/zinc/05/50/53/213055053.db2.gz AYWFEWRBYQNMJV-XJKSGUPXSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3ccoc32)CC[NH+]1C ZINC000336226999 213055056 /nfs/dbraw/zinc/05/50/56/213055056.db2.gz AYWFEWRBYQNMJV-XJKSGUPXSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3ccoc32)CC[NH+]1C ZINC000336226999 213055059 /nfs/dbraw/zinc/05/50/59/213055059.db2.gz AYWFEWRBYQNMJV-XJKSGUPXSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3ccoc32)CC[N@@H+]1C ZINC000336226998 213054711 /nfs/dbraw/zinc/05/47/11/213054711.db2.gz AYWFEWRBYQNMJV-CZUORRHYSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3ccoc32)CC[N@H+]1C ZINC000336226998 213054713 /nfs/dbraw/zinc/05/47/13/213054713.db2.gz AYWFEWRBYQNMJV-CZUORRHYSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3ccoc32)CC[NH+]1C ZINC000336226998 213054715 /nfs/dbraw/zinc/05/47/15/213054715.db2.gz AYWFEWRBYQNMJV-CZUORRHYSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3ccoc32)CC[NH+]1C ZINC000336226998 213054717 /nfs/dbraw/zinc/05/47/17/213054717.db2.gz AYWFEWRBYQNMJV-CZUORRHYSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000297560660 200228335 /nfs/dbraw/zinc/22/83/35/200228335.db2.gz QNTCUJJOJXHGKO-BLLLJJGKSA-N 2 1 281.359 3.341 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000297598614 200238439 /nfs/dbraw/zinc/23/84/39/200238439.db2.gz HXWFPVHTBVDPJQ-WMLDXEAASA-N 2 1 298.434 3.130 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000297598614 200238440 /nfs/dbraw/zinc/23/84/40/200238440.db2.gz HXWFPVHTBVDPJQ-WMLDXEAASA-N 2 1 298.434 3.130 20 0 CGADMP COCC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178360240 189110052 /nfs/dbraw/zinc/11/00/52/189110052.db2.gz VPVMXOGQRRGBSR-KBPBESRZSA-N 2 1 287.407 3.256 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000178542243 189125463 /nfs/dbraw/zinc/12/54/63/189125463.db2.gz LQMPEVJHORQOLB-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000178542243 189125464 /nfs/dbraw/zinc/12/54/64/189125464.db2.gz LQMPEVJHORQOLB-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000178542243 189125465 /nfs/dbraw/zinc/12/54/65/189125465.db2.gz LQMPEVJHORQOLB-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178542243 189125466 /nfs/dbraw/zinc/12/54/66/189125466.db2.gz LQMPEVJHORQOLB-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)nc1 ZINC000179136570 189172596 /nfs/dbraw/zinc/17/25/96/189172596.db2.gz PPJYTVGPJOPDJX-XBFCOCLRSA-N 2 1 281.831 3.258 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000179097474 189169484 /nfs/dbraw/zinc/16/94/84/189169484.db2.gz PKIBAMMQAVKSOI-ZDUSSCGKSA-N 2 1 281.831 3.262 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342147714 216239021 /nfs/dbraw/zinc/23/90/21/216239021.db2.gz UXDSNXLHIIRIRK-RFGFWPKPSA-N 2 1 291.439 3.092 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342147714 216239024 /nfs/dbraw/zinc/23/90/24/216239024.db2.gz UXDSNXLHIIRIRK-RFGFWPKPSA-N 2 1 291.439 3.092 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC[N@@H+]1C ZINC000179505915 189198513 /nfs/dbraw/zinc/19/85/13/189198513.db2.gz GJZNPAYWZIRZRA-GARXJVFOSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC[N@H+]1C ZINC000179505915 189198514 /nfs/dbraw/zinc/19/85/14/189198514.db2.gz GJZNPAYWZIRZRA-GARXJVFOSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000179519141 189199155 /nfs/dbraw/zinc/19/91/55/189199155.db2.gz OEWJPEOJHFAUMD-UONOGXRCSA-N 2 1 292.854 3.444 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000179635713 189209310 /nfs/dbraw/zinc/20/93/10/189209310.db2.gz WEVKJXFJDIYFGF-ZDUSSCGKSA-N 2 1 280.481 3.429 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000179635713 189209311 /nfs/dbraw/zinc/20/93/11/189209311.db2.gz WEVKJXFJDIYFGF-ZDUSSCGKSA-N 2 1 280.481 3.429 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCc2cccc(Cl)c2)CC[N@H+]1C ZINC000180462754 189256605 /nfs/dbraw/zinc/25/66/05/189256605.db2.gz TVTPHANYPPODMY-XJKSGUPXSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240475 189291893 /nfs/dbraw/zinc/29/18/93/189291893.db2.gz OOLXYAUBXAAGPR-IXDOHACOSA-N 2 1 290.451 3.225 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182051374 189312801 /nfs/dbraw/zinc/31/28/01/189312801.db2.gz FXRSCOVZSRXVCV-HOTGVXAUSA-N 2 1 285.435 3.296 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000449089247 239171151 /nfs/dbraw/zinc/17/11/51/239171151.db2.gz JLQZJOXKGSGHOO-OAUYIBNBSA-N 2 1 294.389 3.285 20 0 CGADMP COc1cc(F)cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000449243483 239265198 /nfs/dbraw/zinc/26/51/98/239265198.db2.gz LBQZHNLTLGEFCY-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000183192302 299342841 /nfs/dbraw/zinc/34/28/41/299342841.db2.gz FNSYEBUIJBWHRT-KCQAQPDRSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000494888524 291309491 /nfs/dbraw/zinc/30/94/91/291309491.db2.gz IIQRHPYNHWNFBA-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1nccn1CC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000451187940 240241319 /nfs/dbraw/zinc/24/13/19/240241319.db2.gz PYTRUJOCELPTMG-RVKKMQEKSA-N 2 1 283.419 3.458 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000275401237 193022968 /nfs/dbraw/zinc/02/29/68/193022968.db2.gz ZVIGXQAYYOPTRB-QGZVFWFLSA-N 2 1 271.408 3.048 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000275472853 193051823 /nfs/dbraw/zinc/05/18/23/193051823.db2.gz HWIRGUZHUOJXQS-QWHCGFSZSA-N 2 1 289.810 3.450 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275625066 193089182 /nfs/dbraw/zinc/08/91/82/193089182.db2.gz RWFMKPBMDAWYMW-HUUCEWRRSA-N 2 1 269.392 3.105 20 0 CGADMP CCOc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1F ZINC000453600191 240969941 /nfs/dbraw/zinc/96/99/41/240969941.db2.gz RWAXSQOXYDKKAI-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP FC(F)(F)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000335560716 212267013 /nfs/dbraw/zinc/26/70/13/212267013.db2.gz MXWNXATWJZUMAW-UHFFFAOYSA-N 2 1 284.325 3.033 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1coc2ccccc12 ZINC000121287150 370848620 /nfs/dbraw/zinc/84/86/20/370848620.db2.gz QBXKNUFGVPNKNB-CYBMUJFWSA-N 2 1 283.375 3.364 20 0 CGADMP c1ccc2c(c1)CC[C@H]2CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459572449 242135196 /nfs/dbraw/zinc/13/51/96/242135196.db2.gz QSNWYQDQAJALPP-INIZCTEOSA-N 2 1 284.447 3.323 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Cl)c2)C1 ZINC000459722830 242191871 /nfs/dbraw/zinc/19/18/71/242191871.db2.gz CBMDRVDLKYUMTC-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000459791793 242235248 /nfs/dbraw/zinc/23/52/48/242235248.db2.gz RYROPIWLVFQQNR-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000462802693 242364882 /nfs/dbraw/zinc/36/48/82/242364882.db2.gz MJIBBSLBDXLDTA-HZPDHXFCSA-N 2 1 292.854 3.407 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481330382 243186779 /nfs/dbraw/zinc/18/67/79/243186779.db2.gz CCYGPIRQENUEGR-RTBURBONSA-N 2 1 288.479 3.494 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000484136732 243308311 /nfs/dbraw/zinc/30/83/11/243308311.db2.gz LZFGAPQZXQKWAJ-INMHGKMJSA-N 2 1 260.425 3.028 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]CCn1cc[nH+]c1C ZINC000486953007 243384474 /nfs/dbraw/zinc/38/44/74/243384474.db2.gz DSLFKEQSSBYMHL-UHFFFAOYSA-N 2 1 293.798 3.033 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H]2CCSC2)C1 ZINC000486962598 243386160 /nfs/dbraw/zinc/38/61/60/243386160.db2.gz FAHJUQATELFIBU-XHSDSOJGSA-N 2 1 284.513 3.087 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1F ZINC000486980308 243390510 /nfs/dbraw/zinc/39/05/10/243390510.db2.gz MGLOZXUKWRZPOO-UHFFFAOYSA-N 2 1 294.414 3.190 20 0 CGADMP Cc1ccc2cc(C[NH2+]CCC[N@H+](C)C(C)C)ccc2n1 ZINC000218952618 376193197 /nfs/dbraw/zinc/19/31/97/376193197.db2.gz HTPUTMDAKXDBGS-UHFFFAOYSA-N 2 1 285.435 3.363 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000020095360 368801938 /nfs/dbraw/zinc/80/19/38/368801938.db2.gz ZSNDDCDDJFBNPE-ZDUSSCGKSA-N 2 1 264.388 3.349 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000020090536 368799552 /nfs/dbraw/zinc/79/95/52/368799552.db2.gz LNOVTQJGOHRFGU-CQSZACIVSA-N 2 1 291.439 3.028 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1OC ZINC000036995105 369047282 /nfs/dbraw/zinc/04/72/82/369047282.db2.gz UERCZFWDJUZPET-BTFYYFJDSA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1OC ZINC000036995105 369047289 /nfs/dbraw/zinc/04/72/89/369047289.db2.gz UERCZFWDJUZPET-BTFYYFJDSA-N 2 1 288.435 3.361 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000036908350 369036497 /nfs/dbraw/zinc/03/64/97/369036497.db2.gz XRCYVSZJJYKQKG-VYDXJSESSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000037644321 369095690 /nfs/dbraw/zinc/09/56/90/369095690.db2.gz PLHBWNIMAACWLS-WDEREUQCSA-N 2 1 272.845 3.394 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000037762303 369105922 /nfs/dbraw/zinc/10/59/22/369105922.db2.gz JKWYSDWQIOVZHE-RLFYNMQTSA-N 2 1 290.451 3.041 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000037762305 369106253 /nfs/dbraw/zinc/10/62/53/369106253.db2.gz JKWYSDWQIOVZHE-HDMKZQKVSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)[C@@H]1C ZINC000494895526 244327988 /nfs/dbraw/zinc/32/79/88/244327988.db2.gz SGKLOOYMHDGNOW-LUYZLQTOSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cc(Cl)cc(C)c1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000495107685 244356894 /nfs/dbraw/zinc/35/68/94/244356894.db2.gz JWOUKBFDDUKPSG-YOEHRIQHSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000495107685 244356896 /nfs/dbraw/zinc/35/68/96/244356896.db2.gz JWOUKBFDDUKPSG-YOEHRIQHSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000495107685 244356900 /nfs/dbraw/zinc/35/69/00/244356900.db2.gz JWOUKBFDDUKPSG-YOEHRIQHSA-N 2 1 292.854 3.483 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sccc2C)C1 ZINC000070091544 369778913 /nfs/dbraw/zinc/77/89/13/369778913.db2.gz KDDOJSWUNNMYKW-QWHCGFSZSA-N 2 1 252.427 3.049 20 0 CGADMP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070170627 369786166 /nfs/dbraw/zinc/78/61/66/369786166.db2.gz SCMIXCRIOYVMJH-KRWDZBQOSA-N 2 1 290.451 3.133 20 0 CGADMP CC(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656613 369864197 /nfs/dbraw/zinc/86/41/97/369864197.db2.gz XBHWQXGCEDPGMM-RDJZCZTQSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656613 369864199 /nfs/dbraw/zinc/86/41/99/369864199.db2.gz XBHWQXGCEDPGMM-RDJZCZTQSA-N 2 1 260.425 3.285 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C[C@@H]1C ZINC000085040252 370016716 /nfs/dbraw/zinc/01/67/16/370016716.db2.gz OBKOANDYDVABLK-QOTRURMSSA-N 2 1 252.446 3.129 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164017 370031366 /nfs/dbraw/zinc/03/13/66/370031366.db2.gz TZCPVBOHCWKABH-WZYMTQMTSA-N 2 1 288.435 3.361 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164017 370031372 /nfs/dbraw/zinc/03/13/72/370031372.db2.gz TZCPVBOHCWKABH-WZYMTQMTSA-N 2 1 288.435 3.361 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000093639713 370151152 /nfs/dbraw/zinc/15/11/52/370151152.db2.gz JDRIEALCAYPICA-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000093639713 370151157 /nfs/dbraw/zinc/15/11/57/370151157.db2.gz JDRIEALCAYPICA-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000093639713 370151160 /nfs/dbraw/zinc/15/11/60/370151160.db2.gz JDRIEALCAYPICA-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)ccc2n1 ZINC000097862645 370256167 /nfs/dbraw/zinc/25/61/67/370256167.db2.gz QSUBVCLBSLWNQV-HNNXBMFYSA-N 2 1 283.419 3.104 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1 ZINC000097861878 370256368 /nfs/dbraw/zinc/25/63/68/370256368.db2.gz YRMMAWVBIRMILQ-RHSMWYFYSA-N 2 1 283.419 3.116 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC000513729391 245094429 /nfs/dbraw/zinc/09/44/29/245094429.db2.gz OMLHMWZPIYRECI-UHFFFAOYSA-N 2 1 274.452 3.385 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000116386580 370559821 /nfs/dbraw/zinc/55/98/21/370559821.db2.gz MSAVAWCHCREPGK-MRXNPFEDSA-N 2 1 260.425 3.082 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000514081873 245105192 /nfs/dbraw/zinc/10/51/92/245105192.db2.gz DNTBEIIJYRXREY-ZDUSSCGKSA-N 2 1 296.405 3.360 20 0 CGADMP C[C@@H](c1c(F)cccc1F)N(C)CCCn1ccnc1 ZINC000130387367 371030395 /nfs/dbraw/zinc/03/03/95/371030395.db2.gz DVQNZMOUDHDDFQ-LBPRGKRZSA-N 2 1 279.334 3.244 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000132119717 371153466 /nfs/dbraw/zinc/15/34/66/371153466.db2.gz NNOIVAYOMCBNLQ-INIZCTEOSA-N 2 1 290.451 3.386 20 0 CGADMP Cc1cnc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000537851150 376204772 /nfs/dbraw/zinc/20/47/72/376204772.db2.gz JQIDVAPBCAHVLB-CQSZACIVSA-N 2 1 279.428 3.096 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000136255648 371471113 /nfs/dbraw/zinc/47/11/13/371471113.db2.gz OWBRHHIBDBONPE-KBPBESRZSA-N 2 1 276.399 3.003 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCC2CCCC2)CC[N@H+]1C ZINC000151596590 371616052 /nfs/dbraw/zinc/61/60/52/371616052.db2.gz KZRRSWKTRCGGDO-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)s1 ZINC000336820048 213699918 /nfs/dbraw/zinc/69/99/18/213699918.db2.gz BNDUIOSBPWQKQZ-UHFFFAOYSA-N 2 1 293.480 3.068 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC000151104725 371570418 /nfs/dbraw/zinc/57/04/18/371570418.db2.gz ZHTYDJLQDHECCX-RDJZCZTQSA-N 2 1 260.425 3.459 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000151106465 371570633 /nfs/dbraw/zinc/57/06/33/371570633.db2.gz CGQLWCLHEBEQKA-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000151106465 371570639 /nfs/dbraw/zinc/57/06/39/371570639.db2.gz CGQLWCLHEBEQKA-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000151138170 371573547 /nfs/dbraw/zinc/57/35/47/371573547.db2.gz VPSADLOLGMOEKZ-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152156465 371680373 /nfs/dbraw/zinc/68/03/73/371680373.db2.gz QAECSVHOCCQCBG-ZMSDIMECSA-N 2 1 260.425 3.285 20 0 CGADMP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152156465 371680378 /nfs/dbraw/zinc/68/03/78/371680378.db2.gz QAECSVHOCCQCBG-ZMSDIMECSA-N 2 1 260.425 3.285 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000152103378 371673350 /nfs/dbraw/zinc/67/33/50/371673350.db2.gz AVGQUIMHPIPWQE-JJXSEGSLSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(C)CC2)[C@H](C)C1 ZINC000152123148 371674384 /nfs/dbraw/zinc/67/43/84/371674384.db2.gz DZYZUELPXZMHMR-GYTBAZASSA-N 2 1 252.446 3.133 20 0 CGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCn1cc[nH+]c1C ZINC000353312680 220021690 /nfs/dbraw/zinc/02/16/90/220021690.db2.gz JTLBGXHINUEUAL-QGZVFWFLSA-N 2 1 299.418 3.212 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCCCC1 ZINC000421825768 371647116 /nfs/dbraw/zinc/64/71/16/371647116.db2.gz PFTPZJJHKHHIBT-LSDHHAIUSA-N 2 1 293.455 3.155 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000422689272 371755245 /nfs/dbraw/zinc/75/52/45/371755245.db2.gz FAQUWIMFJJCDAQ-RWMBFGLXSA-N 2 1 266.816 3.379 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422731908 371772230 /nfs/dbraw/zinc/77/22/30/371772230.db2.gz OFZBZNVJKZLUEF-QZTJIDSGSA-N 2 1 284.378 3.409 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422733646 371772628 /nfs/dbraw/zinc/77/26/28/371772628.db2.gz BQGDWNZIOLHYEA-KURKYZTESA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422733646 371772634 /nfs/dbraw/zinc/77/26/34/371772634.db2.gz BQGDWNZIOLHYEA-KURKYZTESA-N 3 1 295.515 3.007 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422733646 371772641 /nfs/dbraw/zinc/77/26/41/371772641.db2.gz BQGDWNZIOLHYEA-KURKYZTESA-N 3 1 295.515 3.007 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737275 371774766 /nfs/dbraw/zinc/77/47/66/371774766.db2.gz ZLWFPMOCNMVLMS-RBUKOAKNSA-N 2 1 296.414 3.235 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337333497 214011871 /nfs/dbraw/zinc/01/18/71/214011871.db2.gz JSVXJKMLDBXPOR-JFIYKMOQSA-N 2 1 287.451 3.039 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000337340006 214017196 /nfs/dbraw/zinc/01/71/96/214017196.db2.gz OZGOLDJPKQTVPI-BPQIPLTHSA-N 2 1 287.451 3.038 20 0 CGADMP CC[C@@H]([NH2+]CCSCc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422774640 371798702 /nfs/dbraw/zinc/79/87/02/371798702.db2.gz XVTUTEWLICVTRP-CVEARBPZSA-N 2 1 296.455 3.179 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289783255 371820867 /nfs/dbraw/zinc/82/08/67/371820867.db2.gz RQOUIMNAFVBOJM-UBLGTCEWSA-N 2 1 286.463 3.422 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289783255 371820876 /nfs/dbraw/zinc/82/08/76/371820876.db2.gz RQOUIMNAFVBOJM-UBLGTCEWSA-N 2 1 286.463 3.422 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289783255 371820885 /nfs/dbraw/zinc/82/08/85/371820885.db2.gz RQOUIMNAFVBOJM-UBLGTCEWSA-N 2 1 286.463 3.422 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(Oc2ccccc2)c1 ZINC000422868340 371845213 /nfs/dbraw/zinc/84/52/13/371845213.db2.gz UTJKKVLGKOYVIA-HNNXBMFYSA-N 2 1 296.414 3.485 20 0 CGADMP CC[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422909707 371863348 /nfs/dbraw/zinc/86/33/48/371863348.db2.gz OUVSHVFWWHKXDG-CVEARBPZSA-N 2 1 290.476 3.432 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422926394 371875788 /nfs/dbraw/zinc/87/57/88/371875788.db2.gz WVHMHKSAAGXNGY-CFVMTHIKSA-N 2 1 296.842 3.228 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1c[nH+]ccc1N ZINC000422841540 371836466 /nfs/dbraw/zinc/83/64/66/371836466.db2.gz WJASXTLRZJHCJO-PXAZEXFGSA-N 2 1 299.443 3.175 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000155569254 371934638 /nfs/dbraw/zinc/93/46/38/371934638.db2.gz LAUYMALABSNVRQ-MLHJIOFPSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000290087982 371899078 /nfs/dbraw/zinc/89/90/78/371899078.db2.gz HGLWYUMZVMCOJB-ODIFPOPNSA-N 2 1 260.425 3.251 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000290087982 371899086 /nfs/dbraw/zinc/89/90/86/371899086.db2.gz HGLWYUMZVMCOJB-ODIFPOPNSA-N 2 1 260.425 3.251 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000422981531 371901462 /nfs/dbraw/zinc/90/14/62/371901462.db2.gz ORFKTTFJCZFFNA-HUUCEWRRSA-N 2 1 258.365 3.182 20 0 CGADMP CSc1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)ccn1 ZINC000422996571 371908798 /nfs/dbraw/zinc/90/87/98/371908798.db2.gz TULGVYSNMQXJLK-HIFRSBDPSA-N 2 1 293.480 3.204 20 0 CGADMP COC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000290142550 371914717 /nfs/dbraw/zinc/91/47/17/371914717.db2.gz CFFFHQMSDRESLF-KCXAZCMYSA-N 2 1 296.842 3.100 20 0 CGADMP COC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000290142550 371914722 /nfs/dbraw/zinc/91/47/22/371914722.db2.gz CFFFHQMSDRESLF-KCXAZCMYSA-N 2 1 296.842 3.100 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000290200607 371931689 /nfs/dbraw/zinc/93/16/89/371931689.db2.gz CWMAWZOHPXZAJY-QGZVFWFLSA-N 2 1 289.467 3.033 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423050090 371933132 /nfs/dbraw/zinc/93/31/32/371933132.db2.gz LGLOLCMKWJGRDL-XOYOTBSWSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C)c1c[nH+]ccc1N ZINC000423093611 371958366 /nfs/dbraw/zinc/95/83/66/371958366.db2.gz IEPBDMRPLWZSPR-MQYQWHSLSA-N 2 1 261.413 3.217 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092056 371958502 /nfs/dbraw/zinc/95/85/02/371958502.db2.gz AHIVSXBFCCWDJO-UIBBOPPKSA-N 2 1 278.827 3.174 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000156102430 371962813 /nfs/dbraw/zinc/96/28/13/371962813.db2.gz MVTQIIMITFVDBX-UPJWGTAASA-N 2 1 252.427 3.272 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccs1 ZINC000156102430 371962820 /nfs/dbraw/zinc/96/28/20/371962820.db2.gz MVTQIIMITFVDBX-UPJWGTAASA-N 2 1 252.427 3.272 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290397760 371980983 /nfs/dbraw/zinc/98/09/83/371980983.db2.gz JFSSTYIAJJVPMF-HWKANZROSA-N 2 1 287.382 3.366 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290397760 371980989 /nfs/dbraw/zinc/98/09/89/371980989.db2.gz JFSSTYIAJJVPMF-HWKANZROSA-N 2 1 287.382 3.366 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000423132042 371982722 /nfs/dbraw/zinc/98/27/22/371982722.db2.gz ISYBCFIDNIDKOF-YJNKEBTESA-N 2 1 274.452 3.359 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423186663 372014835 /nfs/dbraw/zinc/01/48/35/372014835.db2.gz LNBKCJRIATXBEM-INIZCTEOSA-N 2 1 275.440 3.286 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000423187031 372015053 /nfs/dbraw/zinc/01/50/53/372015053.db2.gz LPCPEKNRWUMTEJ-AWEZNQCLSA-N 2 1 289.448 3.282 20 0 CGADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2F)s1 ZINC000423188092 372015420 /nfs/dbraw/zinc/01/54/20/372015420.db2.gz QDZVMELCCSQTNJ-SNVBAGLBSA-N 2 1 264.369 3.164 20 0 CGADMP C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CC[NH3+])C1 ZINC000423188136 372015548 /nfs/dbraw/zinc/01/55/48/372015548.db2.gz PRICRILBLBALHZ-IINYFYTJSA-N 2 1 297.240 3.011 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)CC(F)(F)F ZINC000423191077 372017071 /nfs/dbraw/zinc/01/70/71/372017071.db2.gz SKQGLXOGODTKGF-VHSXEESVSA-N 2 1 275.318 3.123 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423189733 372017461 /nfs/dbraw/zinc/01/74/61/372017461.db2.gz RHHDAGYRCJWWFK-CYBMUJFWSA-N 2 1 270.376 3.349 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc21 ZINC000423189918 372017482 /nfs/dbraw/zinc/01/74/82/372017482.db2.gz QGNDKCIMGJRIIQ-HNAYVOBHSA-N 2 1 295.430 3.399 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccncc1 ZINC000423198275 372023220 /nfs/dbraw/zinc/02/32/20/372023220.db2.gz FAHSUMDYWISLJD-HNNXBMFYSA-N 2 1 261.413 3.174 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423205407 372028959 /nfs/dbraw/zinc/02/89/59/372028959.db2.gz VLNAAZMPEMRPQI-SNVBAGLBSA-N 2 1 295.477 3.440 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000157951290 372045510 /nfs/dbraw/zinc/04/55/10/372045510.db2.gz STOSRYHDQQOZDJ-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCCO2 ZINC000423277435 372046559 /nfs/dbraw/zinc/04/65/59/372046559.db2.gz PPJSHUOKZWCQRU-CVEARBPZSA-N 2 1 276.424 3.090 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423324097 372051202 /nfs/dbraw/zinc/05/12/02/372051202.db2.gz HXVONQGMDSJLNB-USJZOSNVSA-N 2 1 290.451 3.165 20 0 CGADMP C[NH+](CCCC[N@H+](C)CC1CCC1)CC1CCC1 ZINC000158096737 372052382 /nfs/dbraw/zinc/05/23/82/372052382.db2.gz TVJRXBOHVPRYBA-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccccn1 ZINC000158107391 372053283 /nfs/dbraw/zinc/05/32/83/372053283.db2.gz XVERGWHDZGBBJM-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000158107391 372053291 /nfs/dbraw/zinc/05/32/91/372053291.db2.gz XVERGWHDZGBBJM-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000158107391 372053297 /nfs/dbraw/zinc/05/32/97/372053297.db2.gz XVERGWHDZGBBJM-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158186122 372057329 /nfs/dbraw/zinc/05/73/29/372057329.db2.gz RWZHTOPEBZIWFH-CHWSQXEVSA-N 2 1 278.465 3.229 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158186122 372057331 /nfs/dbraw/zinc/05/73/31/372057331.db2.gz RWZHTOPEBZIWFH-CHWSQXEVSA-N 2 1 278.465 3.229 20 0 CGADMP COC1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423173513 372004851 /nfs/dbraw/zinc/00/48/51/372004851.db2.gz ZBKMYJAKGMZKNS-IKJBURDNSA-N 2 1 288.435 3.027 20 0 CGADMP COC1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423173512 372004935 /nfs/dbraw/zinc/00/49/35/372004935.db2.gz ZBKMYJAKGMZKNS-GPQLOAJWSA-N 2 1 288.435 3.027 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cccc3F)CCCCC1 ZINC000423176834 372007698 /nfs/dbraw/zinc/00/76/98/372007698.db2.gz IBSJDFNDQXOSKU-HNNXBMFYSA-N 2 1 262.372 3.064 20 0 CGADMP CCOCCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159040085 372102229 /nfs/dbraw/zinc/10/22/29/372102229.db2.gz ATGAJCIDNXGNMX-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CCCO2 ZINC000425924519 372145167 /nfs/dbraw/zinc/14/51/67/372145167.db2.gz PNXBCPDPVUMMNZ-SUMWQHHRSA-N 2 1 290.451 3.304 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000159301260 372128676 /nfs/dbraw/zinc/12/86/76/372128676.db2.gz UQZSJSUOQJLTIZ-CABCVRRESA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)[NH2+]C1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000291162320 372130738 /nfs/dbraw/zinc/13/07/38/372130738.db2.gz MFRIBDMTNCAQII-DLBZAZTESA-N 2 1 258.409 3.005 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000159313851 372131207 /nfs/dbraw/zinc/13/12/07/372131207.db2.gz FQDNVDLJKCPPLE-UHFFFAOYSA-N 2 1 290.304 3.015 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292788489 372211670 /nfs/dbraw/zinc/21/16/70/372211670.db2.gz MEYBECYZGOOQHH-QIPRVMPFSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002719 372301206 /nfs/dbraw/zinc/30/12/06/372301206.db2.gz VNXQHZLLPILHLH-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002719 372301213 /nfs/dbraw/zinc/30/12/13/372301213.db2.gz VNXQHZLLPILHLH-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002719 372301221 /nfs/dbraw/zinc/30/12/21/372301221.db2.gz VNXQHZLLPILHLH-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002719 372301226 /nfs/dbraw/zinc/30/12/26/372301226.db2.gz VNXQHZLLPILHLH-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009648 372304000 /nfs/dbraw/zinc/30/40/00/372304000.db2.gz OPIGJYAQYBXONO-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009648 372304003 /nfs/dbraw/zinc/30/40/03/372304003.db2.gz OPIGJYAQYBXONO-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009648 372304006 /nfs/dbraw/zinc/30/40/06/372304006.db2.gz OPIGJYAQYBXONO-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009648 372304009 /nfs/dbraw/zinc/30/40/09/372304009.db2.gz OPIGJYAQYBXONO-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP Cc1ccoc1CN(C)CCC[N@@H+](C)Cc1occc1C ZINC000429404913 372359849 /nfs/dbraw/zinc/35/98/49/372359849.db2.gz VVSCSXXDFOPGBK-UHFFFAOYSA-N 2 1 290.407 3.443 20 0 CGADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161603461 372340033 /nfs/dbraw/zinc/34/00/33/372340033.db2.gz SMVYHLSRVCVCFQ-AAJLLMFJSA-N 2 1 270.420 3.136 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)C[NH+](C)C ZINC000293315085 372352560 /nfs/dbraw/zinc/35/25/60/372352560.db2.gz FGIVAMDHSLZGTD-GMXVVIOVSA-N 2 1 284.494 3.461 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccn2CCC(C)C)C1 ZINC000161850881 372357740 /nfs/dbraw/zinc/35/77/40/372357740.db2.gz TVARCGONTVCSFD-QGZVFWFLSA-N 2 1 291.483 3.356 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(s1)CCC2 ZINC000344339201 217156508 /nfs/dbraw/zinc/15/65/08/217156508.db2.gz WFIWQPNFRSTKHC-GFCCVEGCSA-N 2 1 276.449 3.149 20 0 CGADMP Cc1sccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000293507577 372398190 /nfs/dbraw/zinc/39/81/90/372398190.db2.gz HULXYJJIRYFKIS-UHFFFAOYSA-N 2 1 264.438 3.021 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000162614301 372405846 /nfs/dbraw/zinc/40/58/46/372405846.db2.gz OFYALGFYINZMNR-DNVCBOLYSA-N 2 1 282.431 3.455 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1F ZINC000163470803 372473320 /nfs/dbraw/zinc/47/33/20/372473320.db2.gz MKUPTPMFWXPOSK-BBRMVZONSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000293626131 372429273 /nfs/dbraw/zinc/42/92/73/372429273.db2.gz HGYQKIAVAFQCNG-CYBMUJFWSA-N 2 1 269.392 3.420 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000163223242 372454880 /nfs/dbraw/zinc/45/48/80/372454880.db2.gz XLMTXFBPICHQCT-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000163223242 372454884 /nfs/dbraw/zinc/45/48/84/372454884.db2.gz XLMTXFBPICHQCT-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000163255964 372458136 /nfs/dbraw/zinc/45/81/36/372458136.db2.gz NZGSMYPTVCHMNS-PMPSAXMXSA-N 2 1 260.425 3.342 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)CC[N@H+]1C ZINC000293723954 372461400 /nfs/dbraw/zinc/46/14/00/372461400.db2.gz NVLMVYOGPCPUQA-SWLSCSKDSA-N 2 1 282.378 3.371 20 0 CGADMP Cc1cccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000163347908 372462069 /nfs/dbraw/zinc/46/20/69/372462069.db2.gz BAWMATYNPSTDES-DOTOQJQBSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000163347908 372462073 /nfs/dbraw/zinc/46/20/73/372462073.db2.gz BAWMATYNPSTDES-DOTOQJQBSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000163347908 372462079 /nfs/dbraw/zinc/46/20/79/372462079.db2.gz BAWMATYNPSTDES-DOTOQJQBSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000163347908 372462084 /nfs/dbraw/zinc/46/20/84/372462084.db2.gz BAWMATYNPSTDES-DOTOQJQBSA-N 2 1 273.424 3.011 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163661020 372485874 /nfs/dbraw/zinc/48/58/74/372485874.db2.gz DBPSMYUCNBEFBO-HYVNUMGLSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163661020 372485876 /nfs/dbraw/zinc/48/58/76/372485876.db2.gz DBPSMYUCNBEFBO-HYVNUMGLSA-N 2 1 260.425 3.080 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccnc1 ZINC000164152155 372510210 /nfs/dbraw/zinc/51/02/10/372510210.db2.gz OPWRVEJIMGYUEU-ATLSCFEFSA-N 2 1 289.467 3.140 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000164492994 372521605 /nfs/dbraw/zinc/52/16/05/372521605.db2.gz KJNQMINICIPATO-HNNXBMFYSA-N 2 1 292.471 3.379 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c21 ZINC000166483639 372575039 /nfs/dbraw/zinc/57/50/39/372575039.db2.gz MPBFXTPFERWBAP-DLBZAZTESA-N 2 1 297.446 3.235 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(F)c1 ZINC000166514573 372577175 /nfs/dbraw/zinc/57/71/75/372577175.db2.gz VSBSLRVLCNRHGN-XJKSGUPXSA-N 2 1 264.388 3.208 20 0 CGADMP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000166703826 372581110 /nfs/dbraw/zinc/58/11/10/372581110.db2.gz NAHSOOCNVYTLFF-UGSOOPFHSA-N 2 1 299.418 3.256 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000295028481 372687645 /nfs/dbraw/zinc/68/76/45/372687645.db2.gz LINHYRSWJNUZMG-PNBKFKSVSA-N 2 1 286.419 3.115 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000295028481 372687654 /nfs/dbraw/zinc/68/76/54/372687654.db2.gz LINHYRSWJNUZMG-PNBKFKSVSA-N 2 1 286.419 3.115 20 0 CGADMP C[N@H+](Cc1cnc(C2CCCC2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435439024 372765258 /nfs/dbraw/zinc/76/52/58/372765258.db2.gz SNWRAMWDYJYFGN-AWEZNQCLSA-N 2 1 293.480 3.375 20 0 CGADMP C[N@@H+](Cc1cnc(C2CCCC2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435439024 372765268 /nfs/dbraw/zinc/76/52/68/372765268.db2.gz SNWRAMWDYJYFGN-AWEZNQCLSA-N 2 1 293.480 3.375 20 0 CGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435389369 372758391 /nfs/dbraw/zinc/75/83/91/372758391.db2.gz KMJBFZDZDUKFRY-PYUISTEWSA-N 2 1 258.409 3.164 20 0 CGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435389367 372758917 /nfs/dbraw/zinc/75/89/17/372758917.db2.gz KMJBFZDZDUKFRY-JEJOPICUSA-N 2 1 258.409 3.164 20 0 CGADMP c1cc(C[N@H+](CC2CC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430340 372762774 /nfs/dbraw/zinc/76/27/74/372762774.db2.gz AKMRGNUYCGEWGC-HNNXBMFYSA-N 2 1 276.449 3.102 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000435434002 372763393 /nfs/dbraw/zinc/76/33/93/372763393.db2.gz VPRBEXSXJWOZGM-CQSZACIVSA-N 2 1 274.433 3.475 20 0 CGADMP CC[N@@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435624245 372787281 /nfs/dbraw/zinc/78/72/81/372787281.db2.gz FGOUTAGQYOCDSO-QGZVFWFLSA-N 2 1 283.419 3.199 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000344613134 217249715 /nfs/dbraw/zinc/24/97/15/217249715.db2.gz FCFKHSBLZIDDTL-KXBFYZLASA-N 2 1 295.430 3.321 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccsc1 ZINC000295895167 372949066 /nfs/dbraw/zinc/94/90/66/372949066.db2.gz IJQJLQAYXMGMJF-AWEZNQCLSA-N 2 1 263.410 3.384 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC3CC3)CCCC2)CC1 ZINC000344741097 217296543 /nfs/dbraw/zinc/29/65/43/217296543.db2.gz HLCBZVWETHXDMT-HNNXBMFYSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccsc1C ZINC000353517986 220131748 /nfs/dbraw/zinc/13/17/48/220131748.db2.gz LCICBMHFMSKQNN-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccsc1C ZINC000353517986 220131751 /nfs/dbraw/zinc/13/17/51/220131751.db2.gz LCICBMHFMSKQNN-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000442918541 373128695 /nfs/dbraw/zinc/12/86/95/373128695.db2.gz CUJHHISBJDTXHA-INIZCTEOSA-N 2 1 295.430 3.309 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444604924 373212768 /nfs/dbraw/zinc/21/27/68/373212768.db2.gz CGJOWIOZQZKNIG-OAHLLOKOSA-N 2 1 275.440 3.171 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000296774065 373241371 /nfs/dbraw/zinc/24/13/71/373241371.db2.gz LMMKBYVSLPIOSU-DYVFJYSZSA-N 2 1 296.405 3.484 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000296774065 373241377 /nfs/dbraw/zinc/24/13/77/373241377.db2.gz LMMKBYVSLPIOSU-DYVFJYSZSA-N 2 1 296.405 3.484 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000444750781 373258870 /nfs/dbraw/zinc/25/88/70/373258870.db2.gz JNCPMEXAZILPTB-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000444750781 373258876 /nfs/dbraw/zinc/25/88/76/373258876.db2.gz JNCPMEXAZILPTB-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000444750781 373258882 /nfs/dbraw/zinc/25/88/82/373258882.db2.gz JNCPMEXAZILPTB-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000174350758 373297612 /nfs/dbraw/zinc/29/76/12/373297612.db2.gz WODFVNPSQNEGMY-FVQBIDKESA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000174515865 373331404 /nfs/dbraw/zinc/33/14/04/373331404.db2.gz QWZMMFWJRWIEAJ-WBVHZDCISA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353622908 220200603 /nfs/dbraw/zinc/20/06/03/220200603.db2.gz PNDVMPZPOXAJPN-BZUAXINKSA-N 2 1 284.513 3.228 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000300410344 373626704 /nfs/dbraw/zinc/62/67/04/373626704.db2.gz GXABWGVEIOMUCU-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000300410344 373626713 /nfs/dbraw/zinc/62/67/13/373626713.db2.gz GXABWGVEIOMUCU-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000449441887 373717737 /nfs/dbraw/zinc/71/77/37/373717737.db2.gz UTKQIRJHWSHZIR-ZWQIFLOQSA-N 2 1 284.447 3.285 20 0 CGADMP COC1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000449383726 373686714 /nfs/dbraw/zinc/68/67/14/373686714.db2.gz JODWNEQBAXTEEM-CGZBRXJRSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@H+](C)CCNc1cc[nH+]c2ccsc21 ZINC000301404625 373772319 /nfs/dbraw/zinc/77/23/19/373772319.db2.gz STYFFVXBUDDACS-UHFFFAOYSA-N 2 1 263.410 3.440 20 0 CGADMP CCCC[N@@H+](C)CCNc1cc[nH+]c2ccsc21 ZINC000301404625 373772325 /nfs/dbraw/zinc/77/23/25/373772325.db2.gz STYFFVXBUDDACS-UHFFFAOYSA-N 2 1 263.410 3.440 20 0 CGADMP C[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000177887842 373722424 /nfs/dbraw/zinc/72/24/24/373722424.db2.gz FAZKXDSLKXESDR-QIPZNREISA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000177887842 373722427 /nfs/dbraw/zinc/72/24/27/373722427.db2.gz FAZKXDSLKXESDR-QIPZNREISA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000177887842 373722431 /nfs/dbraw/zinc/72/24/31/373722431.db2.gz FAZKXDSLKXESDR-QIPZNREISA-N 2 1 250.430 3.003 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000177978411 373732227 /nfs/dbraw/zinc/73/22/27/373732227.db2.gz RUOKJJINIRUYSB-SJORKVTESA-N 2 1 284.488 3.148 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000178695424 373804526 /nfs/dbraw/zinc/80/45/26/373804526.db2.gz NRDHQAVXBVCLFX-SJKOYZFVSA-N 2 1 287.382 3.244 20 0 CGADMP CC[N@H+]1CCCN(c2nc(C)cc3ccccc32)CC1 ZINC000302062188 373818698 /nfs/dbraw/zinc/81/86/98/373818698.db2.gz RLSSUSZQVPXLOL-UHFFFAOYSA-N 2 1 269.392 3.075 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)CC1CC[NH2+]CC1 ZINC000178960699 373820108 /nfs/dbraw/zinc/82/01/08/373820108.db2.gz CKQWCXQEJDIISA-UHFFFAOYSA-N 2 1 296.842 3.040 20 0 CGADMP Clc1cccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178957672 373820208 /nfs/dbraw/zinc/82/02/08/373820208.db2.gz SUTNLJZJRLTKGW-MRXNPFEDSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179039416 373829685 /nfs/dbraw/zinc/82/96/85/373829685.db2.gz PDONRLKGWDIOOZ-CYBMUJFWSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179039416 373829691 /nfs/dbraw/zinc/82/96/91/373829691.db2.gz PDONRLKGWDIOOZ-CYBMUJFWSA-N 2 1 289.345 3.246 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000070326616 541891914 /nfs/dbraw/zinc/89/19/14/541891914.db2.gz GRTIFBVPBYIWQK-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000301657782 373795429 /nfs/dbraw/zinc/79/54/29/373795429.db2.gz SOAIAMMQFCFPCV-QGZVFWFLSA-N 2 1 287.451 3.482 20 0 CGADMP CCCc1ccc2[nH+]ccc(N3CCC[N@@H+](C)CC3)c2c1 ZINC000450214347 374001973 /nfs/dbraw/zinc/00/19/73/374001973.db2.gz YDWLEZFXRBBEFU-UHFFFAOYSA-N 2 1 283.419 3.329 20 0 CGADMP CC[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345189751 217442965 /nfs/dbraw/zinc/44/29/65/217442965.db2.gz MYZBUQIOXAGJLO-OAHLLOKOSA-N 2 1 296.842 3.183 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000181605171 374145426 /nfs/dbraw/zinc/14/54/26/374145426.db2.gz BWIQHIUDZVFQCZ-HNNXBMFYSA-N 2 1 270.367 3.203 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=CCCCC2)C[C@@H]1C ZINC000450467784 374150895 /nfs/dbraw/zinc/15/08/95/374150895.db2.gz LYSXLGAQXMFJJA-GOEBONIOSA-N 2 1 250.430 3.291 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=CCCCC2)C[C@@H]1C ZINC000450467784 374150900 /nfs/dbraw/zinc/15/09/00/374150900.db2.gz LYSXLGAQXMFJJA-GOEBONIOSA-N 2 1 250.430 3.291 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C[C@@H]1C ZINC000450467784 374150907 /nfs/dbraw/zinc/15/09/07/374150907.db2.gz LYSXLGAQXMFJJA-GOEBONIOSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000309737231 374194728 /nfs/dbraw/zinc/19/47/28/374194728.db2.gz UTKQIRJHWSHZIR-KLIQENQMSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000309760968 374197699 /nfs/dbraw/zinc/19/76/99/374197699.db2.gz DOVMVQKIVJGUFE-RKVPGOIHSA-N 2 1 272.436 3.285 20 0 CGADMP FCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309952028 374204623 /nfs/dbraw/zinc/20/46/23/374204623.db2.gz GRJYGWQLOSMXRD-QZTJIDSGSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309952028 374204628 /nfs/dbraw/zinc/20/46/28/374204628.db2.gz GRJYGWQLOSMXRD-QZTJIDSGSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309952028 374204632 /nfs/dbraw/zinc/20/46/32/374204632.db2.gz GRJYGWQLOSMXRD-QZTJIDSGSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@H](CCNc1cc[nH+]cc1Cl)[NH+]1CCCCC1 ZINC000182339632 374261138 /nfs/dbraw/zinc/26/11/38/374261138.db2.gz UCDBJBWCTSYUQV-GFCCVEGCSA-N 2 1 267.804 3.411 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC000311425251 374240457 /nfs/dbraw/zinc/24/04/57/374240457.db2.gz PGABOCQNLGPYMK-CGZBRXJRSA-N 2 1 266.473 3.380 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000453335231 374429231 /nfs/dbraw/zinc/42/92/31/374429231.db2.gz DDOOJNIHZMMPLH-HLVVYCRESA-N 2 1 293.480 3.290 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000453335231 374429240 /nfs/dbraw/zinc/42/92/40/374429240.db2.gz DDOOJNIHZMMPLH-HLVVYCRESA-N 2 1 293.480 3.290 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CC1 ZINC000453402765 374472834 /nfs/dbraw/zinc/47/28/34/374472834.db2.gz NUPDWYVLYOYSEP-KBAYOESNSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCNc2ccccc21)C1CC1 ZINC000453388584 374473012 /nfs/dbraw/zinc/47/30/12/374473012.db2.gz BPAJTPSOGILNTA-SFHVURJKSA-N 2 1 287.451 3.397 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410814 374475415 /nfs/dbraw/zinc/47/54/15/374475415.db2.gz VITLZNCWVJZSEV-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[NH+]1CCCCCC1 ZINC000333546008 374604752 /nfs/dbraw/zinc/60/47/52/374604752.db2.gz IQFFVTPAIMPALK-CYBMUJFWSA-N 2 1 292.427 3.125 20 0 CGADMP F[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000334241560 206242498 /nfs/dbraw/zinc/24/24/98/206242498.db2.gz PONDKDNMAOFKDK-JKSUJKDBSA-N 2 1 268.420 3.264 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185635731 374702638 /nfs/dbraw/zinc/70/26/38/374702638.db2.gz FVEXUBMOURCDTN-RHSMWYFYSA-N 2 1 299.418 3.126 20 0 CGADMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663225 374707523 /nfs/dbraw/zinc/70/75/23/374707523.db2.gz JNFCUMZKDXQSIN-WFASDCNBSA-N 2 1 291.439 3.034 20 0 CGADMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663225 374707530 /nfs/dbraw/zinc/70/75/30/374707530.db2.gz JNFCUMZKDXQSIN-WFASDCNBSA-N 2 1 291.439 3.034 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000186152517 374803734 /nfs/dbraw/zinc/80/37/34/374803734.db2.gz HTCHVYQMSRKVRS-VXGBXAGGSA-N 2 1 293.436 3.249 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2CCCCCC2)C1 ZINC000459740163 374817346 /nfs/dbraw/zinc/81/73/46/374817346.db2.gz TYEBOOKSPOEWBJ-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccsc2)CC1 ZINC000186935608 374942029 /nfs/dbraw/zinc/94/20/29/374942029.db2.gz XUKLKSKVZIOKOW-INIZCTEOSA-N 2 1 278.465 3.412 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334871114 375040057 /nfs/dbraw/zinc/04/00/57/375040057.db2.gz YBGMJRZLMIHYIF-FUHWJXTLSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1cc2[nH]c(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000334699849 374986201 /nfs/dbraw/zinc/98/62/01/374986201.db2.gz LKRNHBCFYAFKBG-LSDHHAIUSA-N 2 1 285.435 3.357 20 0 CGADMP Cc1ccc(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000472850818 375037064 /nfs/dbraw/zinc/03/70/64/375037064.db2.gz GOVBUEVHNHSMMH-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccc(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000472850818 375037070 /nfs/dbraw/zinc/03/70/70/375037070.db2.gz GOVBUEVHNHSMMH-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000472850818 375037076 /nfs/dbraw/zinc/03/70/76/375037076.db2.gz GOVBUEVHNHSMMH-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000472850818 375037083 /nfs/dbraw/zinc/03/70/83/375037083.db2.gz GOVBUEVHNHSMMH-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000474262735 375091108 /nfs/dbraw/zinc/09/11/08/375091108.db2.gz BQZVVLBSVBVCPB-OAHLLOKOSA-N 2 1 290.426 3.306 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000474262735 375091117 /nfs/dbraw/zinc/09/11/17/375091117.db2.gz BQZVVLBSVBVCPB-OAHLLOKOSA-N 2 1 290.426 3.306 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1 ZINC000334991958 375056732 /nfs/dbraw/zinc/05/67/32/375056732.db2.gz DWRMJKFRRUYTOP-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000475342115 375133926 /nfs/dbraw/zinc/13/39/26/375133926.db2.gz HUVZQLLBUDKEAX-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP CC(C[NH+]1CC[C@H](C)[C@@H]1C)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000482896003 375172171 /nfs/dbraw/zinc/17/21/71/375172171.db2.gz TXLKWIQTGRWULM-VGWMRTNUSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483140305 375176052 /nfs/dbraw/zinc/17/60/52/375176052.db2.gz PVTRIOPPNOCKPS-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000474605523 375120016 /nfs/dbraw/zinc/12/00/16/375120016.db2.gz LANZHPGRBLBXDL-XSLAGTTESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+]C/C=C\c1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000487557043 375253005 /nfs/dbraw/zinc/25/30/05/375253005.db2.gz WBQGBUSHWJBKQB-WBMXOGIWSA-N 2 1 299.462 3.337 20 0 CGADMP CN(CC1([NH+](C)C)CCC1)c1cc[nH+]c2ccsc21 ZINC000188516074 375224765 /nfs/dbraw/zinc/22/47/65/375224765.db2.gz HXMXCHGVQYYWCG-UHFFFAOYSA-N 2 1 275.421 3.217 20 0 CGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc2ccccc2o1 ZINC000335694551 375353055 /nfs/dbraw/zinc/35/30/55/375353055.db2.gz AZCURDCPDPBUJK-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccccc2o1 ZINC000335694551 375353060 /nfs/dbraw/zinc/35/30/60/375353060.db2.gz AZCURDCPDPBUJK-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccccc2o1 ZINC000335694551 375353065 /nfs/dbraw/zinc/35/30/65/375353065.db2.gz AZCURDCPDPBUJK-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2ccccc2o1 ZINC000335694551 375353070 /nfs/dbraw/zinc/35/30/70/375353070.db2.gz AZCURDCPDPBUJK-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000190061607 375472587 /nfs/dbraw/zinc/47/25/87/375472587.db2.gz OAWWJJYJQKWVGH-SOUVJXGZSA-N 2 1 270.486 3.125 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335817404 375455471 /nfs/dbraw/zinc/45/54/71/375455471.db2.gz DANQURDRHOATPN-LSDHHAIUSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335817404 375455478 /nfs/dbraw/zinc/45/54/78/375455478.db2.gz DANQURDRHOATPN-LSDHHAIUSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335817404 375455482 /nfs/dbraw/zinc/45/54/82/375455482.db2.gz DANQURDRHOATPN-LSDHHAIUSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000335817404 375455492 /nfs/dbraw/zinc/45/54/92/375455492.db2.gz DANQURDRHOATPN-LSDHHAIUSA-N 2 1 291.439 3.023 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)c(F)c2)CC1 ZINC000335858185 375488557 /nfs/dbraw/zinc/48/85/57/375488557.db2.gz GUICSGFXHCMRBF-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(F)c(F)c2)CC1 ZINC000335858185 375488560 /nfs/dbraw/zinc/48/85/60/375488560.db2.gz GUICSGFXHCMRBF-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000110908133 542001994 /nfs/dbraw/zinc/00/19/94/542001994.db2.gz LMMLHQPZDBALEI-UHFFFAOYSA-N 2 1 289.448 3.275 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000121479576 542019793 /nfs/dbraw/zinc/01/97/93/542019793.db2.gz DKGHKTWSSWFUEA-YVEFUNNKSA-N 2 1 287.382 3.244 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123928666 542030039 /nfs/dbraw/zinc/03/00/39/542030039.db2.gz SWLLRLQAXASWKW-RHSMWYFYSA-N 2 1 272.436 3.343 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000507499364 375708297 /nfs/dbraw/zinc/70/82/97/375708297.db2.gz YVBRHIPKOYEPOG-YVSFHVDLSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000192739859 375784698 /nfs/dbraw/zinc/78/46/98/375784698.db2.gz HUNLLMINKBHKEK-AYHJJNSGSA-N 2 1 272.436 3.061 20 0 CGADMP Cc1c[nH+]ccc1NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000192499989 375758037 /nfs/dbraw/zinc/75/80/37/375758037.db2.gz HAKRECFUQVNILE-CQSZACIVSA-N 2 1 261.413 3.314 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192633878 375774122 /nfs/dbraw/zinc/77/41/22/375774122.db2.gz XMRFAEVLTMWTDY-HNNXBMFYSA-N 2 1 259.397 3.066 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000336538025 375815170 /nfs/dbraw/zinc/81/51/70/375815170.db2.gz OXIMVFQMOUHYHZ-NEPJUHHUSA-N 2 1 276.355 3.131 20 0 CGADMP CCC[N@H+]1CC[C@@H](CNCc2cc(Cl)cs2)C1 ZINC000193036432 375818835 /nfs/dbraw/zinc/81/88/35/375818835.db2.gz QYGVCZRMPBYBMH-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193036432 375818841 /nfs/dbraw/zinc/81/88/41/375818841.db2.gz QYGVCZRMPBYBMH-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193036432 375818851 /nfs/dbraw/zinc/81/88/51/375818851.db2.gz QYGVCZRMPBYBMH-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130209640 542062536 /nfs/dbraw/zinc/06/25/36/542062536.db2.gz WKIXFBTWXUUJKQ-ARFHVFGLSA-N 2 1 288.435 3.281 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130209640 542062540 /nfs/dbraw/zinc/06/25/40/542062540.db2.gz WKIXFBTWXUUJKQ-ARFHVFGLSA-N 2 1 288.435 3.281 20 0 CGADMP CCCNc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000193363906 375870112 /nfs/dbraw/zinc/87/01/12/375870112.db2.gz MDAKJRQMGYKNMI-MPGHIAIKSA-N 2 1 289.467 3.327 20 0 CGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cscn2)CC1 ZINC000193971616 375944783 /nfs/dbraw/zinc/94/47/83/375944783.db2.gz LVOWJFINOIHRPI-UHFFFAOYSA-N 2 1 281.469 3.087 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cscn2)CC1 ZINC000193971616 375944791 /nfs/dbraw/zinc/94/47/91/375944791.db2.gz LVOWJFINOIHRPI-UHFFFAOYSA-N 2 1 281.469 3.087 20 0 CGADMP Cc1ccc(C)n1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336832808 375994299 /nfs/dbraw/zinc/99/42/99/375994299.db2.gz BHPFKSNLIUGVIN-QGZVFWFLSA-N 2 1 289.467 3.226 20 0 CGADMP CC(C)COCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336845020 376007628 /nfs/dbraw/zinc/00/76/28/376007628.db2.gz MEBWZLWUATYPRU-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336845020 376007633 /nfs/dbraw/zinc/00/76/33/376007633.db2.gz MEBWZLWUATYPRU-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336845020 376007637 /nfs/dbraw/zinc/00/76/37/376007637.db2.gz MEBWZLWUATYPRU-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336845020 376007643 /nfs/dbraw/zinc/00/76/43/376007643.db2.gz MEBWZLWUATYPRU-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP Cc1[nH+]ccn1CCCCn1cnc2c1C[C@@H](C)[C@@H](C)C2 ZINC000336849664 376011747 /nfs/dbraw/zinc/01/17/47/376011747.db2.gz SLRDQAWOLXRZGL-UONOGXRCSA-N 2 1 286.423 3.239 20 0 CGADMP Cc1ccc(C[C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000536265495 376084657 /nfs/dbraw/zinc/08/46/57/376084657.db2.gz VSMHDEZWASTIJF-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000536265495 376084663 /nfs/dbraw/zinc/08/46/63/376084663.db2.gz VSMHDEZWASTIJF-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000536265495 376084668 /nfs/dbraw/zinc/08/46/68/376084668.db2.gz VSMHDEZWASTIJF-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000536853032 376137625 /nfs/dbraw/zinc/13/76/25/376137625.db2.gz TXKNUQNCJIKSSH-CZUORRHYSA-N 2 1 292.492 3.447 20 0 CGADMP Cc1cc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)ccc1F ZINC000537305408 376162324 /nfs/dbraw/zinc/16/23/24/376162324.db2.gz RURIYMMHPKUBEF-SFHVURJKSA-N 2 1 288.410 3.437 20 0 CGADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC000337273034 376183835 /nfs/dbraw/zinc/18/38/35/376183835.db2.gz ORLFUSVAGABNPA-UHFFFAOYSA-N 2 1 296.842 3.266 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC000337273034 376183842 /nfs/dbraw/zinc/18/38/42/376183842.db2.gz ORLFUSVAGABNPA-UHFFFAOYSA-N 2 1 296.842 3.266 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000221777972 376220701 /nfs/dbraw/zinc/22/07/01/376220701.db2.gz GGLIUTLUCSLARH-QRTARXTBSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000221777972 376220706 /nfs/dbraw/zinc/22/07/06/376220706.db2.gz GGLIUTLUCSLARH-QRTARXTBSA-N 2 1 276.424 3.219 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc2cccnc21 ZINC000221780884 376221170 /nfs/dbraw/zinc/22/11/70/376221170.db2.gz VBEUTKUHUMIPGE-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP CCC[C@@H](C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000539384793 376306715 /nfs/dbraw/zinc/30/67/15/376306715.db2.gz VJDUTIXPZUZXCN-OAGGEKHMSA-N 2 1 252.446 3.370 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327162 376351579 /nfs/dbraw/zinc/35/15/79/376351579.db2.gz IUPFEISZYYIURW-STQMWFEESA-N 2 1 266.816 3.462 20 0 CGADMP Fc1ccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000539656777 376324630 /nfs/dbraw/zinc/32/46/30/376324630.db2.gz KSXNOMAUBXTHHU-UHFFFAOYSA-N 2 1 288.410 3.279 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CC(C)C ZINC000132940622 542077464 /nfs/dbraw/zinc/07/74/64/542077464.db2.gz QFWXUOVZWCPACF-FUHWJXTLSA-N 3 1 297.531 3.063 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000539951294 376348977 /nfs/dbraw/zinc/34/89/77/376348977.db2.gz RYOJKWJKCSXJBF-MRXNPFEDSA-N 2 1 284.488 3.293 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000226536650 376362936 /nfs/dbraw/zinc/36/29/36/376362936.db2.gz FOIKOWIEFZHJLD-GMXVVIOVSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000226536650 376362940 /nfs/dbraw/zinc/36/29/40/376362940.db2.gz FOIKOWIEFZHJLD-GMXVVIOVSA-N 2 1 297.240 3.179 20 0 CGADMP Cc1ccccc1CCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000540299137 376369329 /nfs/dbraw/zinc/36/93/29/376369329.db2.gz NGNFRIMGJYQRIZ-UHFFFAOYSA-N 2 1 286.463 3.488 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)c1cccnc1 ZINC000541747734 376479104 /nfs/dbraw/zinc/47/91/04/376479104.db2.gz AAPYWUOIHGPUKW-QGZVFWFLSA-N 2 1 275.440 3.387 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000228287451 376432287 /nfs/dbraw/zinc/43/22/87/376432287.db2.gz OJMHYJDODHGVIT-LRDDRELGSA-N 2 1 272.392 3.443 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000228287451 376432290 /nfs/dbraw/zinc/43/22/90/376432290.db2.gz OJMHYJDODHGVIT-LRDDRELGSA-N 2 1 272.392 3.443 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC000228536632 376440399 /nfs/dbraw/zinc/44/03/99/376440399.db2.gz QKYVVHGRVGVGPQ-ARFHVFGLSA-N 2 1 250.430 3.016 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]21 ZINC000230126839 376486129 /nfs/dbraw/zinc/48/61/29/376486129.db2.gz CSKXICPJRLZXAN-TYNCELHUSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]21 ZINC000230126839 376486139 /nfs/dbraw/zinc/48/61/39/376486139.db2.gz CSKXICPJRLZXAN-TYNCELHUSA-N 2 1 282.790 3.038 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000542486966 376549859 /nfs/dbraw/zinc/54/98/59/376549859.db2.gz XEDMVESTJMZVEF-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000542486966 376549870 /nfs/dbraw/zinc/54/98/70/376549870.db2.gz XEDMVESTJMZVEF-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000542486966 376549879 /nfs/dbraw/zinc/54/98/79/376549879.db2.gz XEDMVESTJMZVEF-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000542486966 376549888 /nfs/dbraw/zinc/54/98/88/376549888.db2.gz XEDMVESTJMZVEF-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231455895 376558370 /nfs/dbraw/zinc/55/83/70/376558370.db2.gz JTNJBZVUIJAOLL-MRXNPFEDSA-N 2 1 276.424 3.048 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c2ccccc2n1 ZINC000231669479 376564986 /nfs/dbraw/zinc/56/49/86/376564986.db2.gz XMHYZICHEKMJPX-INIZCTEOSA-N 2 1 283.419 3.117 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000235414943 376640079 /nfs/dbraw/zinc/64/00/79/376640079.db2.gz MVKUZDYHQRIBPG-CWRNSKLLSA-N 2 1 262.441 3.053 20 0 CGADMP CC[NH+](CC)CCS[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339114231 376686637 /nfs/dbraw/zinc/68/66/37/376686637.db2.gz QGNNLKBQIHXJNK-KRWDZBQOSA-N 2 1 292.492 3.336 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)c2ccccc21 ZINC000157270923 542133132 /nfs/dbraw/zinc/13/31/32/542133132.db2.gz LBDMDGKXCJDUEP-RCCFBDPRSA-N 2 1 264.372 3.408 20 0 CGADMP CCC[NH+]1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157847747 542140149 /nfs/dbraw/zinc/14/01/49/542140149.db2.gz VWZUFGVJMXWRMG-QGZVFWFLSA-N 3 1 295.515 3.105 20 0 CGADMP CCCN1CCC([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157847747 542140151 /nfs/dbraw/zinc/14/01/51/542140151.db2.gz VWZUFGVJMXWRMG-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP CCCN1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157847747 542140154 /nfs/dbraw/zinc/14/01/54/542140154.db2.gz VWZUFGVJMXWRMG-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000556879717 376898310 /nfs/dbraw/zinc/89/83/10/376898310.db2.gz SMIGVZHPYPBZLK-APIJFGDWSA-N 2 1 286.410 3.274 20 0 CGADMP Cc1cccc(CCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000245561094 376855997 /nfs/dbraw/zinc/85/59/97/376855997.db2.gz XADQTPBENYZKOJ-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000245561094 376856000 /nfs/dbraw/zinc/85/60/00/376856000.db2.gz XADQTPBENYZKOJ-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245561094 376856006 /nfs/dbraw/zinc/85/60/06/376856006.db2.gz XADQTPBENYZKOJ-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245561094 376856008 /nfs/dbraw/zinc/85/60/08/376856008.db2.gz XADQTPBENYZKOJ-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000245562803 376856179 /nfs/dbraw/zinc/85/61/79/376856179.db2.gz CSDKREKHMHOGCP-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000245562803 376856182 /nfs/dbraw/zinc/85/61/82/376856182.db2.gz CSDKREKHMHOGCP-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000245562803 376856188 /nfs/dbraw/zinc/85/61/88/376856188.db2.gz CSDKREKHMHOGCP-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709677 376887953 /nfs/dbraw/zinc/88/79/53/376887953.db2.gz FSBLQJZRGGVIOG-BLLLJJGKSA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709677 376887955 /nfs/dbraw/zinc/88/79/55/376887955.db2.gz FSBLQJZRGGVIOG-BLLLJJGKSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709677 376887962 /nfs/dbraw/zinc/88/79/62/376887962.db2.gz FSBLQJZRGGVIOG-BLLLJJGKSA-N 2 1 282.378 3.127 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000556879728 376897085 /nfs/dbraw/zinc/89/70/85/376897085.db2.gz SMIGVZHPYPBZLK-QPSCCSFWSA-N 2 1 286.410 3.274 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OCCC)cc1 ZINC000556935004 376908627 /nfs/dbraw/zinc/90/86/27/376908627.db2.gz KMXNWPJPTSESFH-HNNXBMFYSA-N 2 1 264.413 3.083 20 0 CGADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000557393193 376932826 /nfs/dbraw/zinc/93/28/26/376932826.db2.gz OBMKXMUCDSPHTK-RCCFBDPRSA-N 2 1 290.426 3.139 20 0 CGADMP C[C@@H]1C[C@H](N[C@H]2CCCOc3c(F)cccc32)CC[N@H+]1C ZINC000245966861 376947909 /nfs/dbraw/zinc/94/79/09/376947909.db2.gz NLPPTFRIRYKGAN-IOASZLSFSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(F)cccc32)CCN1C ZINC000245966861 376947916 /nfs/dbraw/zinc/94/79/16/376947916.db2.gz NLPPTFRIRYKGAN-IOASZLSFSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(F)cccc32)CC[N@@H+]1C ZINC000245966861 376947924 /nfs/dbraw/zinc/94/79/24/376947924.db2.gz NLPPTFRIRYKGAN-IOASZLSFSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(F)cccc32)CC[N@H+]1C ZINC000245966861 376947930 /nfs/dbraw/zinc/94/79/30/376947930.db2.gz NLPPTFRIRYKGAN-IOASZLSFSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000246024739 376954732 /nfs/dbraw/zinc/95/47/32/376954732.db2.gz WOWUGHGCRGNACZ-FXUDXRNXSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc2oc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2c1 ZINC000557796511 376956167 /nfs/dbraw/zinc/95/61/67/376956167.db2.gz PZPIYCUISCJTRQ-XJKSGUPXSA-N 2 1 272.392 3.171 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246188275 376985096 /nfs/dbraw/zinc/98/50/96/376985096.db2.gz LRKUDMXXWFQSAB-CABCVRRESA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246188275 376985100 /nfs/dbraw/zinc/98/51/00/376985100.db2.gz LRKUDMXXWFQSAB-CABCVRRESA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558259681 376993469 /nfs/dbraw/zinc/99/34/69/376993469.db2.gz TXWULQGEZZXOJF-KURKYZTESA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccncc1CCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000558401407 377001325 /nfs/dbraw/zinc/00/13/25/377001325.db2.gz LYJPZXRBLMUFIL-KRWDZBQOSA-N 2 1 298.430 3.206 20 0 CGADMP CCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000246303948 377008503 /nfs/dbraw/zinc/00/85/03/377008503.db2.gz DHGSPHHHFNRLMP-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246901787 377114272 /nfs/dbraw/zinc/11/42/72/377114272.db2.gz RMWLQXOSUXRAGM-ICSRJNTNSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246901787 377114281 /nfs/dbraw/zinc/11/42/81/377114281.db2.gz RMWLQXOSUXRAGM-ICSRJNTNSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246901787 377114290 /nfs/dbraw/zinc/11/42/90/377114290.db2.gz RMWLQXOSUXRAGM-ICSRJNTNSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246901787 377114302 /nfs/dbraw/zinc/11/43/02/377114302.db2.gz RMWLQXOSUXRAGM-ICSRJNTNSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246800837 377092842 /nfs/dbraw/zinc/09/28/42/377092842.db2.gz AAFJHBHQZXNPME-DLBZAZTESA-N 2 1 290.451 3.226 20 0 CGADMP C1=C[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000559792667 377098586 /nfs/dbraw/zinc/09/85/86/377098586.db2.gz DXPYUMQOVATTKA-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000559880698 377102853 /nfs/dbraw/zinc/10/28/53/377102853.db2.gz QFQPSCXFCFNDOS-RANZSIQMSA-N 2 1 272.436 3.253 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000247073051 377154612 /nfs/dbraw/zinc/15/46/12/377154612.db2.gz OJEFQPPSRHQFSU-HZPDHXFCSA-N 2 1 274.452 3.284 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247075756 377155701 /nfs/dbraw/zinc/15/57/01/377155701.db2.gz QDVRGLWDNPPNKL-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247075756 377155708 /nfs/dbraw/zinc/15/57/08/377155708.db2.gz QDVRGLWDNPPNKL-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247075756 377155711 /nfs/dbraw/zinc/15/57/11/377155711.db2.gz QDVRGLWDNPPNKL-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247075756 377155717 /nfs/dbraw/zinc/15/57/17/377155717.db2.gz QDVRGLWDNPPNKL-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000247138982 377167555 /nfs/dbraw/zinc/16/75/55/377167555.db2.gz WCGYZLMVIVQTOH-QAPCUYQASA-N 2 1 272.436 3.384 20 0 CGADMP COc1ccccc1[C@@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000247155484 377169743 /nfs/dbraw/zinc/16/97/43/377169743.db2.gz XHYCSGZCXJHHLN-CVEARBPZSA-N 2 1 290.451 3.466 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000247155484 377169746 /nfs/dbraw/zinc/16/97/46/377169746.db2.gz XHYCSGZCXJHHLN-CVEARBPZSA-N 2 1 290.451 3.466 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000247155484 377169749 /nfs/dbraw/zinc/16/97/49/377169749.db2.gz XHYCSGZCXJHHLN-CVEARBPZSA-N 2 1 290.451 3.466 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247247434 377182530 /nfs/dbraw/zinc/18/25/30/377182530.db2.gz YAHMURIYJUZRTR-HLLBOEOZSA-N 2 1 290.451 3.212 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247247434 377182536 /nfs/dbraw/zinc/18/25/36/377182536.db2.gz YAHMURIYJUZRTR-HLLBOEOZSA-N 2 1 290.451 3.212 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000247253809 377186260 /nfs/dbraw/zinc/18/62/60/377186260.db2.gz YNINTOZDQVTZKB-FXUDXRNXSA-N 2 1 282.472 3.043 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000247253809 377186267 /nfs/dbraw/zinc/18/62/67/377186267.db2.gz YNINTOZDQVTZKB-FXUDXRNXSA-N 2 1 282.472 3.043 20 0 CGADMP CC[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000340683374 377213343 /nfs/dbraw/zinc/21/33/43/377213343.db2.gz VCMGXOIHYSHHOM-MRXNPFEDSA-N 2 1 272.436 3.256 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000562040155 377268698 /nfs/dbraw/zinc/26/86/98/377268698.db2.gz MPLPYRHQJDREQJ-IPMKNSEASA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000247885152 377242611 /nfs/dbraw/zinc/24/26/11/377242611.db2.gz CTSJWIPKQMCWJT-BBRMVZONSA-N 2 1 280.843 3.202 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247971843 377249821 /nfs/dbraw/zinc/24/98/21/377249821.db2.gz HLAPITKTVASMFV-ZWKOTPCHSA-N 2 1 272.436 3.381 20 0 CGADMP CC(C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247971843 377249833 /nfs/dbraw/zinc/24/98/33/377249833.db2.gz HLAPITKTVASMFV-ZWKOTPCHSA-N 2 1 272.436 3.381 20 0 CGADMP CC(C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247971843 377249846 /nfs/dbraw/zinc/24/98/46/377249846.db2.gz HLAPITKTVASMFV-ZWKOTPCHSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000247975015 377250657 /nfs/dbraw/zinc/25/06/57/377250657.db2.gz KRNYIYDDDCSXNH-DJIMGWMZSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000248451658 377325058 /nfs/dbraw/zinc/32/50/58/377325058.db2.gz GBIXQQSTKHPQEM-QKPAOTATSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248451658 377325062 /nfs/dbraw/zinc/32/50/62/377325062.db2.gz GBIXQQSTKHPQEM-QKPAOTATSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248451658 377325069 /nfs/dbraw/zinc/32/50/69/377325069.db2.gz GBIXQQSTKHPQEM-QKPAOTATSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248451658 377325077 /nfs/dbraw/zinc/32/50/77/377325077.db2.gz GBIXQQSTKHPQEM-QKPAOTATSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248451658 377325079 /nfs/dbraw/zinc/32/50/79/377325079.db2.gz GBIXQQSTKHPQEM-QKPAOTATSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000248181487 377276924 /nfs/dbraw/zinc/27/69/24/377276924.db2.gz WNFBBUMPZNBQTP-GOEBONIOSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)s1 ZINC000248181487 377276931 /nfs/dbraw/zinc/27/69/31/377276931.db2.gz WNFBBUMPZNBQTP-GOEBONIOSA-N 2 1 278.465 3.281 20 0 CGADMP C[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000248331753 377288477 /nfs/dbraw/zinc/28/84/77/377288477.db2.gz FAZKXDSLKXESDR-JMKCQQIFSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000248331753 377288481 /nfs/dbraw/zinc/28/84/81/377288481.db2.gz FAZKXDSLKXESDR-JMKCQQIFSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000248331753 377288492 /nfs/dbraw/zinc/28/84/92/377288492.db2.gz FAZKXDSLKXESDR-JMKCQQIFSA-N 2 1 250.430 3.003 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C4CCCC4)cc3)C[C@@H]2C1 ZINC000562893391 377368564 /nfs/dbraw/zinc/36/85/64/377368564.db2.gz ZRQFNNMXQVNHQK-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C4CCCC4)cc3)C[C@@H]2C1 ZINC000562893391 377368568 /nfs/dbraw/zinc/36/85/68/377368568.db2.gz ZRQFNNMXQVNHQK-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C4CCCC4)cc3)C[C@@H]2C1 ZINC000562893391 377368575 /nfs/dbraw/zinc/36/85/75/377368575.db2.gz ZRQFNNMXQVNHQK-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP COCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248544596 377343990 /nfs/dbraw/zinc/34/39/90/377343990.db2.gz DQXYBJSAVXWJQQ-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)CC1 ZINC000249044354 377451089 /nfs/dbraw/zinc/45/10/89/377451089.db2.gz VQIBFWJABCYOHG-ZWKOTPCHSA-N 2 1 292.467 3.123 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000248831908 377408995 /nfs/dbraw/zinc/40/89/95/377408995.db2.gz HRSYLXCPJTUJRF-CVEARBPZSA-N 2 1 260.425 3.064 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1c(F)cccc1Cl ZINC000563425378 377463533 /nfs/dbraw/zinc/46/35/33/377463533.db2.gz OUZZSGGKKWKTHX-AXFHLTTASA-N 2 1 270.779 3.400 20 0 CGADMP C[C@H](C1CC1)[NH+](C)C/C=C/C[N@H+](C)[C@H](C)C1CC1 ZINC000249710589 377524305 /nfs/dbraw/zinc/52/43/05/377524305.db2.gz DHBPVNVMVWXJGM-QAMKJQMISA-N 2 1 250.430 3.003 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000249506703 377510586 /nfs/dbraw/zinc/51/05/86/377510586.db2.gz YONOIXFXBSVUEZ-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000249506703 377510589 /nfs/dbraw/zinc/51/05/89/377510589.db2.gz YONOIXFXBSVUEZ-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000249506703 377510596 /nfs/dbraw/zinc/51/05/96/377510596.db2.gz YONOIXFXBSVUEZ-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000249735333 377525517 /nfs/dbraw/zinc/52/55/17/377525517.db2.gz DNPHTEBJROYAFR-IBEHDNSVSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000268850893 249061474 /nfs/dbraw/zinc/06/14/74/249061474.db2.gz YABMFFHQLZRAIE-HNNXBMFYSA-N 2 1 271.408 3.468 20 0 CGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422907266 249127748 /nfs/dbraw/zinc/12/77/48/249127748.db2.gz WSGIHLAPQHXVDS-GXSJLCMTSA-N 2 1 295.839 3.167 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000250605689 377563552 /nfs/dbraw/zinc/56/35/52/377563552.db2.gz LEGGIUXQRSYDTC-OCCSQVGLSA-N 2 1 264.438 3.057 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251052527 377572712 /nfs/dbraw/zinc/57/27/12/377572712.db2.gz FJSCTWOSULVFLI-UAGQMJEPSA-N 2 1 258.409 3.272 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251136371 377574024 /nfs/dbraw/zinc/57/40/24/377574024.db2.gz ZJQMBUVCHMEUPS-DUVNUKRYSA-N 2 1 264.388 3.336 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000514760690 249187761 /nfs/dbraw/zinc/18/77/61/249187761.db2.gz UADKSNGBFLYBKR-UAGQMJEPSA-N 2 1 264.457 3.300 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000251233688 377578931 /nfs/dbraw/zinc/57/89/31/377578931.db2.gz BULVSYSISWUODF-CFVMTHIKSA-N 2 1 292.398 3.112 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000516650827 249240673 /nfs/dbraw/zinc/24/06/73/249240673.db2.gz VAXBMQFJONVVSI-AEFFLSMTSA-N 2 1 274.452 3.358 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000516760000 249243121 /nfs/dbraw/zinc/24/31/21/249243121.db2.gz ISLSGFPHEPGGTF-SCLBCKFNSA-N 2 1 281.403 3.137 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000251326994 377580554 /nfs/dbraw/zinc/58/05/54/377580554.db2.gz NGULGRVINLGUNO-ABAIWWIYSA-N 2 1 270.367 3.331 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000251326994 377580558 /nfs/dbraw/zinc/58/05/58/377580558.db2.gz NGULGRVINLGUNO-ABAIWWIYSA-N 2 1 270.367 3.331 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000251305608 377580856 /nfs/dbraw/zinc/58/08/56/377580856.db2.gz IXFRBCDFTLHBBD-HYVNUMGLSA-N 2 1 264.457 3.275 20 0 CGADMP CCC1CC([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000515680916 249219118 /nfs/dbraw/zinc/21/91/18/249219118.db2.gz TZNMTZHODOGPAS-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265641958 190195978 /nfs/dbraw/zinc/19/59/78/190195978.db2.gz KDVBPVMDCKDCSP-WBVHZDCISA-N 2 1 273.424 3.093 20 0 CGADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265641958 190195979 /nfs/dbraw/zinc/19/59/79/190195979.db2.gz KDVBPVMDCKDCSP-WBVHZDCISA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251690753 377594957 /nfs/dbraw/zinc/59/49/57/377594957.db2.gz IHIXETOVECPGDM-UHIISALHSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251690753 377594966 /nfs/dbraw/zinc/59/49/66/377594966.db2.gz IHIXETOVECPGDM-UHIISALHSA-N 2 1 252.789 3.070 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnc2ccccc12 ZINC000518813871 249287658 /nfs/dbraw/zinc/28/76/58/249287658.db2.gz BYJVSSHFHNWNQV-AWEZNQCLSA-N 2 1 294.402 3.166 20 0 CGADMP C[C@@H]1C[C@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@@H+]1C ZINC000180061131 542205716 /nfs/dbraw/zinc/20/57/16/542205716.db2.gz UEXDAHTYZUOJAZ-IUODEOHRSA-N 2 1 298.434 3.345 20 0 CGADMP C[C@@H]1C[C@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@H+]1C ZINC000180061131 542205722 /nfs/dbraw/zinc/20/57/22/542205722.db2.gz UEXDAHTYZUOJAZ-IUODEOHRSA-N 2 1 298.434 3.345 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000564200548 322022939 /nfs/dbraw/zinc/02/29/39/322022939.db2.gz HNCJRARSOVBJNH-CYBMUJFWSA-N 2 1 284.856 3.466 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251843629 377599804 /nfs/dbraw/zinc/59/98/04/377599804.db2.gz LVQQKPHZPJNHNB-VGWMRTNUSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000180751093 542214338 /nfs/dbraw/zinc/21/43/38/542214338.db2.gz DXBYOSXHOGQKEH-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252711467 377654983 /nfs/dbraw/zinc/65/49/83/377654983.db2.gz JPVALISJLUJRDR-BNOWGMLFSA-N 2 1 264.438 3.055 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252711467 377654996 /nfs/dbraw/zinc/65/49/96/377654996.db2.gz JPVALISJLUJRDR-BNOWGMLFSA-N 2 1 264.438 3.055 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252847977 377667593 /nfs/dbraw/zinc/66/75/93/377667593.db2.gz GHIHWMHBBCROQI-QSPRXWTASA-N 2 1 258.409 3.115 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000342611812 377690150 /nfs/dbraw/zinc/69/01/50/377690150.db2.gz GIUJGISOKYOPTI-KRWDZBQOSA-N 2 1 272.436 3.213 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000342611812 377690154 /nfs/dbraw/zinc/69/01/54/377690154.db2.gz GIUJGISOKYOPTI-KRWDZBQOSA-N 2 1 272.436 3.213 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H](C)c2ccccc2)C1 ZINC000253354742 377684677 /nfs/dbraw/zinc/68/46/77/377684677.db2.gz IBHXBZCTPRWSIJ-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000253354742 377684690 /nfs/dbraw/zinc/68/46/90/377684690.db2.gz IBHXBZCTPRWSIJ-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000253354742 377684703 /nfs/dbraw/zinc/68/47/03/377684703.db2.gz IBHXBZCTPRWSIJ-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000342606322 377687880 /nfs/dbraw/zinc/68/78/80/377687880.db2.gz KYFXHXCOAVUYLB-OAHLLOKOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000342606322 377687882 /nfs/dbraw/zinc/68/78/82/377687882.db2.gz KYFXHXCOAVUYLB-OAHLLOKOSA-N 2 1 263.429 3.340 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000342761539 377777188 /nfs/dbraw/zinc/77/71/88/377777188.db2.gz GFLHTXIGKTVGRV-INIZCTEOSA-N 2 1 294.414 3.143 20 0 CGADMP CCOC1CC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000342800831 377803631 /nfs/dbraw/zinc/80/36/31/377803631.db2.gz ZOQPKIYXUVBVGW-UHFFFAOYSA-N 2 1 290.451 3.184 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261576506 377820952 /nfs/dbraw/zinc/82/09/52/377820952.db2.gz CEPAGLBWEUTXDZ-DOMZBBRYSA-N 2 1 272.417 3.085 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261584780 377823426 /nfs/dbraw/zinc/82/34/26/377823426.db2.gz IAIDDWVQBSIKNA-JSGCOSHPSA-N 2 1 278.465 3.229 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261584780 377823432 /nfs/dbraw/zinc/82/34/32/377823432.db2.gz IAIDDWVQBSIKNA-JSGCOSHPSA-N 2 1 278.465 3.229 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000261656210 377835129 /nfs/dbraw/zinc/83/51/29/377835129.db2.gz HRUDPVOTMDONBG-MRXNPFEDSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000261656210 377835132 /nfs/dbraw/zinc/83/51/32/377835132.db2.gz HRUDPVOTMDONBG-MRXNPFEDSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261701377 377841598 /nfs/dbraw/zinc/84/15/98/377841598.db2.gz ILVCRJZBHSOYKE-BXUZGUMPSA-N 2 1 286.341 3.437 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261971080 377873615 /nfs/dbraw/zinc/87/36/15/377873615.db2.gz IGUKBIXNGSSHBW-IRXDYDNUSA-N 2 1 260.425 3.315 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)s1)CC(C)(C)C[NH3+] ZINC000261983548 377875728 /nfs/dbraw/zinc/87/57/28/377875728.db2.gz RPIVDPHHDDPMHO-UHFFFAOYSA-N 2 1 280.359 3.184 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)s1)CC(C)(C)C[NH3+] ZINC000261983548 377875736 /nfs/dbraw/zinc/87/57/36/377875736.db2.gz RPIVDPHHDDPMHO-UHFFFAOYSA-N 2 1 280.359 3.184 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000261995793 377878209 /nfs/dbraw/zinc/87/82/09/377878209.db2.gz KSMSPKLZROGWMM-SJORKVTESA-N 2 1 260.425 3.459 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1C ZINC000262154067 377890830 /nfs/dbraw/zinc/89/08/30/377890830.db2.gz GGIYIDYEIUQQHU-SFHVURJKSA-N 2 1 272.436 3.440 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c2ccccc12 ZINC000262324967 377893528 /nfs/dbraw/zinc/89/35/28/377893528.db2.gz RNRYCAIXAKKRFO-LSDHHAIUSA-N 2 1 298.430 3.408 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858685 377842243 /nfs/dbraw/zinc/84/22/43/377842243.db2.gz FVXIUKUQKCORKJ-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342858685 377842251 /nfs/dbraw/zinc/84/22/51/377842251.db2.gz FVXIUKUQKCORKJ-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)([NH3+])C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000261714462 377844931 /nfs/dbraw/zinc/84/49/31/377844931.db2.gz JCJFDZJFYBGVFM-MUJYYYPQSA-N 2 1 258.409 3.134 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000261771937 377851005 /nfs/dbraw/zinc/85/10/05/377851005.db2.gz WCXKIIMJPLXOMW-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1cccc(Cl)c1 ZINC000261807633 377854826 /nfs/dbraw/zinc/85/48/26/377854826.db2.gz HMQCNRZWODXALF-SHPPOPEUSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261819691 377856999 /nfs/dbraw/zinc/85/69/99/377856999.db2.gz APQDTDZCBDUCFY-CRAIPNDOSA-N 2 1 298.430 3.278 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343099299 377901122 /nfs/dbraw/zinc/90/11/22/377901122.db2.gz CIAHKYBNLDYDRZ-OAHLLOKOSA-N 2 1 275.783 3.122 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc12 ZINC000262575048 377901827 /nfs/dbraw/zinc/90/18/27/377901827.db2.gz XZTMBVQWDNDDOX-WBAXXEDZSA-N 2 1 296.414 3.018 20 0 CGADMP Cc1nccn1CCC[N@H+](C)CCc1cccc(F)c1F ZINC000343414924 377974370 /nfs/dbraw/zinc/97/43/70/377974370.db2.gz KBUKLBSHXFUQIC-UHFFFAOYSA-N 2 1 293.361 3.034 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cccc(F)c1F ZINC000343414924 377974375 /nfs/dbraw/zinc/97/43/75/377974375.db2.gz KBUKLBSHXFUQIC-UHFFFAOYSA-N 2 1 293.361 3.034 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cccc(F)c1F ZINC000343414924 377974378 /nfs/dbraw/zinc/97/43/78/377974378.db2.gz KBUKLBSHXFUQIC-UHFFFAOYSA-N 2 1 293.361 3.034 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1F ZINC000264382592 377982492 /nfs/dbraw/zinc/98/24/92/377982492.db2.gz OYTNXPNKVMXWPF-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP C[C@H]1C[C@H]1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000578401704 378066160 /nfs/dbraw/zinc/06/61/60/378066160.db2.gz WMLZEPWEEZPCHR-RDJZCZTQSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000578401704 378066165 /nfs/dbraw/zinc/06/61/65/378066165.db2.gz WMLZEPWEEZPCHR-RDJZCZTQSA-N 2 1 272.436 3.239 20 0 CGADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000578944462 378115035 /nfs/dbraw/zinc/11/50/35/378115035.db2.gz CSQPQOXAJMRQFC-UONOGXRCSA-N 2 1 281.403 3.002 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000268830911 378125480 /nfs/dbraw/zinc/12/54/80/378125480.db2.gz SGGRSRRFQGBIKU-YVEFUNNKSA-N 2 1 287.382 3.244 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000579095724 378129556 /nfs/dbraw/zinc/12/95/56/378129556.db2.gz IJYGRSSTRZVVCU-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000579095724 378129564 /nfs/dbraw/zinc/12/95/64/378129564.db2.gz IJYGRSSTRZVVCU-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000268777314 378107348 /nfs/dbraw/zinc/10/73/48/378107348.db2.gz BOJMHVZSDOHYQI-SNVBAGLBSA-N 2 1 278.425 3.006 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000268773784 378108108 /nfs/dbraw/zinc/10/81/08/378108108.db2.gz ALNGUSQPVSEELE-KRWDZBQOSA-N 2 1 286.423 3.354 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000268918873 378153127 /nfs/dbraw/zinc/15/31/27/378153127.db2.gz PVKJBXKKQRUMRS-KEYYUXOJSA-N 2 1 278.415 3.249 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000269115886 378189311 /nfs/dbraw/zinc/18/93/11/378189311.db2.gz WNTJXBDLVPPOKB-PVAVHDDUSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000269115886 378189315 /nfs/dbraw/zinc/18/93/15/378189315.db2.gz WNTJXBDLVPPOKB-PVAVHDDUSA-N 2 1 290.476 3.135 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000269124841 378190912 /nfs/dbraw/zinc/19/09/12/378190912.db2.gz COKNPPBQAQQGIR-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)cc1 ZINC000269124841 378190917 /nfs/dbraw/zinc/19/09/17/378190917.db2.gz COKNPPBQAQQGIR-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP CCc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000579807202 378196915 /nfs/dbraw/zinc/19/69/15/378196915.db2.gz OBMCEJQBOHLGSJ-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000345212420 378224635 /nfs/dbraw/zinc/22/46/35/378224635.db2.gz VCCAFHLZEBUKAF-GOSISDBHSA-N 2 1 272.436 3.139 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1F ZINC000579409531 378157168 /nfs/dbraw/zinc/15/71/68/378157168.db2.gz VRUOLIVOOPRTDL-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1F ZINC000579409531 378157171 /nfs/dbraw/zinc/15/71/71/378157171.db2.gz VRUOLIVOOPRTDL-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1F ZINC000579409531 378157173 /nfs/dbraw/zinc/15/71/73/378157173.db2.gz VRUOLIVOOPRTDL-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000582056954 378282941 /nfs/dbraw/zinc/28/29/41/378282941.db2.gz ICIJJZZPNNIUEZ-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000582056954 378282946 /nfs/dbraw/zinc/28/29/46/378282946.db2.gz ICIJJZZPNNIUEZ-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000583743492 378343231 /nfs/dbraw/zinc/34/32/31/378343231.db2.gz SINDTQNHZCQQPN-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1nccn1CC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000270868008 378407298 /nfs/dbraw/zinc/40/72/98/378407298.db2.gz TXXLJSTWCWMOMB-AWEZNQCLSA-N 2 1 261.394 3.090 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000584080670 378373145 /nfs/dbraw/zinc/37/31/45/378373145.db2.gz NBQRGBUOFFSWFI-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000584080670 378373148 /nfs/dbraw/zinc/37/31/48/378373148.db2.gz NBQRGBUOFFSWFI-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000584080670 378373157 /nfs/dbraw/zinc/37/31/57/378373157.db2.gz NBQRGBUOFFSWFI-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000271184752 378475579 /nfs/dbraw/zinc/47/55/79/378475579.db2.gz MCSQZOWVRYIUDV-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000271184752 378475583 /nfs/dbraw/zinc/47/55/83/378475583.db2.gz MCSQZOWVRYIUDV-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000271184752 378475590 /nfs/dbraw/zinc/47/55/90/378475590.db2.gz MCSQZOWVRYIUDV-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000271184752 378475598 /nfs/dbraw/zinc/47/55/98/378475598.db2.gz MCSQZOWVRYIUDV-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](CC1CC1)C1CCCCC1 ZINC000346271525 378527794 /nfs/dbraw/zinc/52/77/94/378527794.db2.gz DUICQLCOFAJHRX-UHFFFAOYSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](CC1CC1)C1CCCCC1 ZINC000346271525 378527798 /nfs/dbraw/zinc/52/77/98/378527798.db2.gz DUICQLCOFAJHRX-UHFFFAOYSA-N 2 1 261.413 3.236 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000271912252 378515361 /nfs/dbraw/zinc/51/53/61/378515361.db2.gz YCTJJKJFWRKREW-ROUUACIJSA-N 2 1 288.410 3.313 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)CCC2 ZINC000271917293 378516544 /nfs/dbraw/zinc/51/65/44/378516544.db2.gz ZEXHXOYBNMLAJV-AWEZNQCLSA-N 2 1 270.420 3.088 20 0 CGADMP CC(C[NH+](C(C)C)C1CC1)C[N@@H+](C(C)C)C1CC1 ZINC000346422405 378574092 /nfs/dbraw/zinc/57/40/92/378574092.db2.gz IZJDWTDRSCVKAZ-UHFFFAOYSA-N 2 1 252.446 3.368 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc2C1 ZINC000346279472 378530971 /nfs/dbraw/zinc/53/09/71/378530971.db2.gz QHUYDFVTWASWMV-IBGZPJMESA-N 2 1 297.446 3.461 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc2C1 ZINC000346279472 378530976 /nfs/dbraw/zinc/53/09/76/378530976.db2.gz QHUYDFVTWASWMV-IBGZPJMESA-N 2 1 297.446 3.461 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000346484263 378591845 /nfs/dbraw/zinc/59/18/45/378591845.db2.gz MVRVXEHGNYNWCO-YJBOKZPZSA-N 2 1 290.451 3.184 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1F ZINC000272308882 378608491 /nfs/dbraw/zinc/60/84/91/378608491.db2.gz REVDCCVYDBBVLS-INIZCTEOSA-N 2 1 275.371 3.462 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000346538793 378611054 /nfs/dbraw/zinc/61/10/54/378611054.db2.gz KWWGRVFJKZDTNI-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000346538793 378611059 /nfs/dbraw/zinc/61/10/59/378611059.db2.gz KWWGRVFJKZDTNI-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1F ZINC000272512998 378654781 /nfs/dbraw/zinc/65/47/81/378654781.db2.gz XEJLVVJMLOTMHX-HNNXBMFYSA-N 2 1 261.344 3.072 20 0 CGADMP Clc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346840489 378694337 /nfs/dbraw/zinc/69/43/37/378694337.db2.gz ZZHATUNTSKJTDA-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346848499 378694403 /nfs/dbraw/zinc/69/44/03/378694403.db2.gz DVNYGEJDBYVRJA-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP C(C1CCSCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638179024 378725168 /nfs/dbraw/zinc/72/51/68/378725168.db2.gz HENIRGBHLFTWIV-WBVHZDCISA-N 2 1 294.508 3.078 20 0 CGADMP C(C1CCSCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638179024 378725172 /nfs/dbraw/zinc/72/51/72/378725172.db2.gz HENIRGBHLFTWIV-WBVHZDCISA-N 2 1 294.508 3.078 20 0 CGADMP C(C1CCSCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638179024 378725176 /nfs/dbraw/zinc/72/51/76/378725176.db2.gz HENIRGBHLFTWIV-WBVHZDCISA-N 2 1 294.508 3.078 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638297805 378760570 /nfs/dbraw/zinc/76/05/70/378760570.db2.gz AIQPFFJVZZKWBQ-NVXWUHKLSA-N 2 1 258.409 3.354 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638297805 378760573 /nfs/dbraw/zinc/76/05/73/378760573.db2.gz AIQPFFJVZZKWBQ-NVXWUHKLSA-N 2 1 258.409 3.354 20 0 CGADMP CO[C@](C)(C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000638365752 378779106 /nfs/dbraw/zinc/77/91/06/378779106.db2.gz HNBGGGKNKZNFTI-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)OC ZINC000638365702 378779508 /nfs/dbraw/zinc/77/95/08/378779508.db2.gz GXYWQRMNZCRXMG-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP CCC[C@@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)OC ZINC000638365700 378779606 /nfs/dbraw/zinc/77/96/06/378779606.db2.gz GXYWQRMNZCRXMG-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000348129926 378803109 /nfs/dbraw/zinc/80/31/09/378803109.db2.gz ZFCUQGNPAVPECS-IAGOWNOFSA-N 2 1 260.425 3.417 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)C[C@H]21 ZINC000346837519 218029738 /nfs/dbraw/zinc/02/97/38/218029738.db2.gz WEJRWLBRCKKFED-IUIKQTSFSA-N 2 1 288.366 3.131 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346854189 218038468 /nfs/dbraw/zinc/03/84/68/218038468.db2.gz TYHOIGUWMVTLDX-XIRDDKMYSA-N 2 1 288.435 3.035 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346858593 218040055 /nfs/dbraw/zinc/04/00/55/218040055.db2.gz XQSYXTRJJOIBTB-INIZCTEOSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000348299942 378893999 /nfs/dbraw/zinc/89/39/99/378893999.db2.gz HEBQGBHCWXNVFF-OJLVUWQFSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000348299942 378894001 /nfs/dbraw/zinc/89/40/01/378894001.db2.gz HEBQGBHCWXNVFF-OJLVUWQFSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347004651 218088839 /nfs/dbraw/zinc/08/88/39/218088839.db2.gz AIVBGFXYYVYJLS-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP F[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000348387229 378936824 /nfs/dbraw/zinc/93/68/24/378936824.db2.gz GBRFXFPYXMYAFT-WMZOPIPTSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000346993872 218082424 /nfs/dbraw/zinc/08/24/24/218082424.db2.gz AWNMDLKLIYEXGM-OCCSQVGLSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000346993872 218082426 /nfs/dbraw/zinc/08/24/26/218082426.db2.gz AWNMDLKLIYEXGM-OCCSQVGLSA-N 2 1 293.480 3.360 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C(F)F)cc1 ZINC000348331539 378913039 /nfs/dbraw/zinc/91/30/39/378913039.db2.gz KAASASNBGHCPPA-VQISRLSMSA-N 2 1 291.345 3.485 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000346992152 218083828 /nfs/dbraw/zinc/08/38/28/218083828.db2.gz AJCRDZYEHNSWNA-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)[C@@H]1C[NH3+] ZINC000346997170 218085534 /nfs/dbraw/zinc/08/55/34/218085534.db2.gz CKSISBVERXPLIP-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@@H]1C[NH3+] ZINC000346997170 218085536 /nfs/dbraw/zinc/08/55/36/218085536.db2.gz CKSISBVERXPLIP-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000348405159 378943211 /nfs/dbraw/zinc/94/32/11/378943211.db2.gz GCXDKEBKIACCQL-AGIUHOORSA-N 2 1 281.469 3.071 20 0 CGADMP COCC[N@@H+](CCCc1cnccc1C)[C@H]1CC[C@@H](C)C1 ZINC000348414114 378946836 /nfs/dbraw/zinc/94/68/36/378946836.db2.gz UWNMQILEXVOGRZ-QAPCUYQASA-N 2 1 290.451 3.460 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1 ZINC000275259205 378951907 /nfs/dbraw/zinc/95/19/07/378951907.db2.gz JOJMOCKLNXTNQU-WFASDCNBSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1 ZINC000275259205 378951912 /nfs/dbraw/zinc/95/19/12/378951912.db2.gz JOJMOCKLNXTNQU-WFASDCNBSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1 ZINC000275259205 378951917 /nfs/dbraw/zinc/95/19/17/378951917.db2.gz JOJMOCKLNXTNQU-WFASDCNBSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000275259205 378951920 /nfs/dbraw/zinc/95/19/20/378951920.db2.gz JOJMOCKLNXTNQU-WFASDCNBSA-N 2 1 266.816 3.112 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275293804 378955286 /nfs/dbraw/zinc/95/52/86/378955286.db2.gz PCIIFNBMVDRFBO-YOEHRIQHSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275293804 378955297 /nfs/dbraw/zinc/95/52/97/378955297.db2.gz PCIIFNBMVDRFBO-YOEHRIQHSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275293804 378955304 /nfs/dbraw/zinc/95/53/04/378955304.db2.gz PCIIFNBMVDRFBO-YOEHRIQHSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275293804 378955307 /nfs/dbraw/zinc/95/53/07/378955307.db2.gz PCIIFNBMVDRFBO-YOEHRIQHSA-N 2 1 260.425 3.021 20 0 CGADMP C[C@H]([NH2+]CC1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638970668 378961085 /nfs/dbraw/zinc/96/10/85/378961085.db2.gz MSKFMHXSWXKJKP-HOCLYGCPSA-N 2 1 296.524 3.372 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300141281 296285352 /nfs/dbraw/zinc/28/53/52/296285352.db2.gz RLWCQXKPXVKLEP-KBXIAJHMSA-N 2 1 250.430 3.028 20 0 CGADMP CCCCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000347095841 218119873 /nfs/dbraw/zinc/11/98/73/218119873.db2.gz IMRCNHGSSRKWSS-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347121410 218129058 /nfs/dbraw/zinc/12/90/58/218129058.db2.gz OXZJVWVWJFULQX-OAHLLOKOSA-N 2 1 298.430 3.408 20 0 CGADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1C ZINC000278634052 194078406 /nfs/dbraw/zinc/07/84/06/194078406.db2.gz HCOPGUCQEGMGMF-UHFFFAOYSA-N 2 1 288.435 3.110 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Cl ZINC000347227885 218162959 /nfs/dbraw/zinc/16/29/59/218162959.db2.gz WPZGGIMHZGRPGB-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Cl ZINC000347227885 218162962 /nfs/dbraw/zinc/16/29/62/218162962.db2.gz WPZGGIMHZGRPGB-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353683890 220256825 /nfs/dbraw/zinc/25/68/25/220256825.db2.gz GKGUQCPMXUIHMA-NGFQHRJXSA-N 2 1 293.480 3.017 20 0 CGADMP Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000278768545 194146910 /nfs/dbraw/zinc/14/69/10/194146910.db2.gz OEEMQQRCXHLAJN-IRXDYDNUSA-N 2 1 267.376 3.247 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2nc(C)sc2c1 ZINC000349360351 379248830 /nfs/dbraw/zinc/24/88/30/379248830.db2.gz AHHKRBQVPIGIDE-UHFFFAOYSA-N 2 1 291.464 3.378 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2nc(C)sc2c1 ZINC000349360351 379248832 /nfs/dbraw/zinc/24/88/32/379248832.db2.gz AHHKRBQVPIGIDE-UHFFFAOYSA-N 2 1 291.464 3.378 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1C ZINC000349384461 379260369 /nfs/dbraw/zinc/26/03/69/379260369.db2.gz OWOXFYQEXJGMLQ-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1C ZINC000349384461 379260378 /nfs/dbraw/zinc/26/03/78/379260378.db2.gz OWOXFYQEXJGMLQ-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC000278983433 194239466 /nfs/dbraw/zinc/23/94/66/194239466.db2.gz PCMSNPXQFFUFEJ-KSSFIOAISA-N 2 1 281.403 3.186 20 0 CGADMP C[C@H](CC1CCOCC1)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000349969392 379467315 /nfs/dbraw/zinc/46/73/15/379467315.db2.gz ICGJWBGUJBISFT-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H](CC1CCOCC1)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000349969392 379467323 /nfs/dbraw/zinc/46/73/23/379467323.db2.gz ICGJWBGUJBISFT-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757083 379569994 /nfs/dbraw/zinc/56/99/94/379569994.db2.gz DHEOZKLEKXJSEB-ZDUSSCGKSA-N 2 1 294.389 3.444 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCCCC(F)(F)F)C2)CC1 ZINC000639758422 379571537 /nfs/dbraw/zinc/57/15/37/379571537.db2.gz SRGQMKRGDMPWCG-UHFFFAOYSA-N 2 1 278.362 3.137 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757628 379572982 /nfs/dbraw/zinc/57/29/82/379572982.db2.gz JYCMMZZUPTWBIM-AWEZNQCLSA-N 2 1 276.399 3.304 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2F)[C@@H](C)C1 ZINC000280154380 379622975 /nfs/dbraw/zinc/62/29/75/379622975.db2.gz DXDCEJGBVDCRJZ-YOEHRIQHSA-N 2 1 278.415 3.078 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCOCc2ccccc2)CC1 ZINC000640014982 379686841 /nfs/dbraw/zinc/68/68/41/379686841.db2.gz CFKNPHZJTGEXBD-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2)cc1 ZINC000347705296 218328944 /nfs/dbraw/zinc/32/89/44/218328944.db2.gz LPSMMNXMYYJFQN-ZBFHGGJFSA-N 2 1 299.418 3.258 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC[N@@H+]1C ZINC000280792098 379791484 /nfs/dbraw/zinc/79/14/84/379791484.db2.gz JRWGSZKKUMGLIB-XQLPTFJDSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC[N@H+]1C ZINC000280792098 379791487 /nfs/dbraw/zinc/79/14/87/379791487.db2.gz JRWGSZKKUMGLIB-XQLPTFJDSA-N 2 1 276.399 3.144 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352527205 379844510 /nfs/dbraw/zinc/84/45/10/379844510.db2.gz XTIBHCFBGZSSKP-INIZCTEOSA-N 2 1 299.418 3.353 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352527205 379844519 /nfs/dbraw/zinc/84/45/19/379844519.db2.gz XTIBHCFBGZSSKP-INIZCTEOSA-N 2 1 299.418 3.353 20 0 CGADMP c1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000352533909 379846409 /nfs/dbraw/zinc/84/64/09/379846409.db2.gz AYCAEHKSEINXBG-LJQANCHMSA-N 2 1 280.415 3.415 20 0 CGADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000347781851 218354447 /nfs/dbraw/zinc/35/44/47/218354447.db2.gz KXEHLURXCZVIQP-GOEBONIOSA-N 2 1 263.429 3.157 20 0 CGADMP CCCC1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392260529 379910420 /nfs/dbraw/zinc/91/04/20/379910420.db2.gz CXPOFBPHQKMCKF-UHFFFAOYSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000399863905 379946745 /nfs/dbraw/zinc/94/67/45/379946745.db2.gz FEUUYMOYXHBAHY-HUUCEWRRSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000399863905 379946753 /nfs/dbraw/zinc/94/67/53/379946753.db2.gz FEUUYMOYXHBAHY-HUUCEWRRSA-N 2 1 264.438 3.081 20 0 CGADMP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000400330879 379948042 /nfs/dbraw/zinc/94/80/42/379948042.db2.gz CTJLTHPGXJNLFO-KCXAZCMYSA-N 2 1 264.388 3.253 20 0 CGADMP C[N@@H+](CCCO)C1CC[NH+](CCCC2CCCCC2)CC1 ZINC000347853029 218377523 /nfs/dbraw/zinc/37/75/23/218377523.db2.gz BFWJHKQWJVMBJJ-UHFFFAOYSA-N 2 1 296.499 3.126 20 0 CGADMP c1coc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282799667 379991222 /nfs/dbraw/zinc/99/12/22/379991222.db2.gz RUARHGLMCYJICQ-AWEZNQCLSA-N 2 1 285.391 3.192 20 0 CGADMP c1coc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282799667 379991225 /nfs/dbraw/zinc/99/12/25/379991225.db2.gz RUARHGLMCYJICQ-AWEZNQCLSA-N 2 1 285.391 3.192 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000347916035 218397331 /nfs/dbraw/zinc/39/73/31/218397331.db2.gz ZKWDTGZFGJWFCZ-UHFFFAOYSA-N 2 1 291.345 3.006 20 0 CGADMP C[N@@H+](CCCCC1CCOCC1)CC[C@@H]1CCCC[NH+]1C ZINC000410393084 380092532 /nfs/dbraw/zinc/09/25/32/380092532.db2.gz SORXRYGRALMYED-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410391867 380093568 /nfs/dbraw/zinc/09/35/68/380093568.db2.gz NFIGOXWHLBHOQF-WBVHZDCISA-N 2 1 266.473 3.332 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000353061692 380097936 /nfs/dbraw/zinc/09/79/36/380097936.db2.gz OHSHHXKROGPUFE-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000353061692 380097946 /nfs/dbraw/zinc/09/79/46/380097946.db2.gz OHSHHXKROGPUFE-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC=C(c2ccccc2)C1 ZINC000283914403 380105529 /nfs/dbraw/zinc/10/55/29/380105529.db2.gz AIUJLNMQJIATPS-SFHVURJKSA-N 2 1 270.420 3.260 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000283914403 380105534 /nfs/dbraw/zinc/10/55/34/380105534.db2.gz AIUJLNMQJIATPS-SFHVURJKSA-N 2 1 270.420 3.260 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000283914403 380105539 /nfs/dbraw/zinc/10/55/39/380105539.db2.gz AIUJLNMQJIATPS-SFHVURJKSA-N 2 1 270.420 3.260 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000641799649 380111948 /nfs/dbraw/zinc/11/19/48/380111948.db2.gz OPNYRJFMMPDALK-BBRMVZONSA-N 2 1 299.418 3.067 20 0 CGADMP Clc1ccc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643032951 380207132 /nfs/dbraw/zinc/20/71/32/380207132.db2.gz JODZKSXZEBCRIZ-IAQYHMDHSA-N 2 1 287.794 3.076 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000286237528 380181513 /nfs/dbraw/zinc/18/15/13/380181513.db2.gz TVPPSWDPTZHDGC-SJORKVTESA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000286237528 380181517 /nfs/dbraw/zinc/18/15/17/380181517.db2.gz TVPPSWDPTZHDGC-SJORKVTESA-N 2 1 289.467 3.409 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353294413 380201231 /nfs/dbraw/zinc/20/12/31/380201231.db2.gz VHEHISBJQDUDGF-QWHCGFSZSA-N 2 1 286.410 3.274 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000414195351 380201744 /nfs/dbraw/zinc/20/17/44/380201744.db2.gz UTZWZGBPVIKNHN-KDOFPFPSSA-N 2 1 288.435 3.091 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000353944534 380247467 /nfs/dbraw/zinc/24/74/67/380247467.db2.gz KALWXIDJKXYUKO-ZDUSSCGKSA-N 2 1 289.398 3.319 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)cn1 ZINC000353945128 380247991 /nfs/dbraw/zinc/24/79/91/380247991.db2.gz NLUJFIKZVNQVLR-IAGOWNOFSA-N 2 1 289.467 3.175 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)cn1 ZINC000353945128 380247995 /nfs/dbraw/zinc/24/79/95/380247995.db2.gz NLUJFIKZVNQVLR-IAGOWNOFSA-N 2 1 289.467 3.175 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414299436 380209710 /nfs/dbraw/zinc/20/97/10/380209710.db2.gz JSCXCBWDJFPZKQ-KBXIAJHMSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414299436 380209711 /nfs/dbraw/zinc/20/97/11/380209711.db2.gz JSCXCBWDJFPZKQ-KBXIAJHMSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@@H+]1C ZINC000414327297 380214403 /nfs/dbraw/zinc/21/44/03/380214403.db2.gz FYNYYHRRDYTDQG-XQLPTFJDSA-N 2 1 282.472 3.041 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@H+]1C ZINC000414327297 380214408 /nfs/dbraw/zinc/21/44/08/380214408.db2.gz FYNYYHRRDYTDQG-XQLPTFJDSA-N 2 1 282.472 3.041 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508048 380332314 /nfs/dbraw/zinc/33/23/14/380332314.db2.gz GANQWZYJEGGOIP-AWEZNQCLSA-N 2 1 264.413 3.124 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(-c2ccncc2)c1 ZINC000643512596 380334121 /nfs/dbraw/zinc/33/41/21/380334121.db2.gz HFYRSYNMWWZWFK-SCLBCKFNSA-N 2 1 281.403 3.137 20 0 CGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000643521447 380335956 /nfs/dbraw/zinc/33/59/56/380335956.db2.gz IWMSFMGTLAUGQN-OLZOCXBDSA-N 2 1 298.377 3.389 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414674250 380365948 /nfs/dbraw/zinc/36/59/48/380365948.db2.gz DKTVEUOQOWTSLW-KBPBESRZSA-N 2 1 296.842 3.039 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414676563 380367736 /nfs/dbraw/zinc/36/77/36/380367736.db2.gz NVOJCEDLFXQRKE-GOEBONIOSA-N 2 1 278.415 3.424 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000414698660 380380345 /nfs/dbraw/zinc/38/03/45/380380345.db2.gz SGTXQSPTLHDLSZ-OAGGEKHMSA-N 2 1 260.425 3.110 20 0 CGADMP Fc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771763 380397157 /nfs/dbraw/zinc/39/71/57/380397157.db2.gz AMRHQRGEAKPIOL-CHWSQXEVSA-N 2 1 296.817 3.301 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)CC[NH2+]1 ZINC000414768399 380397193 /nfs/dbraw/zinc/39/71/93/380397193.db2.gz UYSWIXODGVYJKI-KEYYUXOJSA-N 2 1 294.389 3.084 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000643886609 380392694 /nfs/dbraw/zinc/39/26/94/380392694.db2.gz ISTMZPUFQMDMME-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3[nH]ccc3c2)CC[N@H+]1C ZINC000643886609 380392697 /nfs/dbraw/zinc/39/26/97/380392697.db2.gz ISTMZPUFQMDMME-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3[nH]ccc3c2)CC[NH+]1C ZINC000643886609 380392704 /nfs/dbraw/zinc/39/27/04/380392704.db2.gz ISTMZPUFQMDMME-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3[nH]ccc3c2)CC[NH+]1C ZINC000643886609 380392709 /nfs/dbraw/zinc/39/27/09/380392709.db2.gz ISTMZPUFQMDMME-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1Cl ZINC000643527004 380342422 /nfs/dbraw/zinc/34/24/22/380342422.db2.gz JPLFXLWLGZRGAZ-MNOVXSKESA-N 2 1 270.804 3.125 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000643526884 380342749 /nfs/dbraw/zinc/34/27/49/380342749.db2.gz HAKVFRYKHYOSRM-GUYCJALGSA-N 2 1 272.367 3.046 20 0 CGADMP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526313 380343259 /nfs/dbraw/zinc/34/32/59/380343259.db2.gz ZACOQCCVHDKHHF-ZIAGYGMSSA-N 2 1 264.413 3.253 20 0 CGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528313 380344769 /nfs/dbraw/zinc/34/47/69/380344769.db2.gz GYOMUJSUJDYYQX-NXEZZACHSA-N 2 1 293.411 3.255 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643529225 380346740 /nfs/dbraw/zinc/34/67/40/380346740.db2.gz XCVFBDISQDGJRP-BBRMVZONSA-N 2 1 264.413 3.109 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414657295 380354023 /nfs/dbraw/zinc/35/40/23/380354023.db2.gz OFNMUDPAEUITJQ-AQDBYXPISA-N 2 1 270.420 3.005 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)C1CCCC1 ZINC000643543555 380358081 /nfs/dbraw/zinc/35/80/81/380358081.db2.gz ZQYNEPKJNUWZCO-CVEARBPZSA-N 2 1 280.362 3.059 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000643546283 380359257 /nfs/dbraw/zinc/35/92/57/380359257.db2.gz LXUCJZQVDAACSR-OLZOCXBDSA-N 2 1 292.398 3.160 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643546774 380361285 /nfs/dbraw/zinc/36/12/85/380361285.db2.gz UPLIYFCPHMKSIY-DGCLKSJQSA-N 2 1 293.480 3.339 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414669895 380362345 /nfs/dbraw/zinc/36/23/45/380362345.db2.gz CDWYGWKREIRFPZ-HRCADAONSA-N 2 1 260.425 3.376 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)C1CC1 ZINC000414813655 380424438 /nfs/dbraw/zinc/42/44/38/380424438.db2.gz YOKYYURQLVNNGA-LJQANCHMSA-N 2 1 296.414 3.093 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414814505 380425662 /nfs/dbraw/zinc/42/56/62/380425662.db2.gz NXYFOODFVRNFMF-OAHLLOKOSA-N 2 1 291.826 3.495 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414819662 380429531 /nfs/dbraw/zinc/42/95/31/380429531.db2.gz ZHHWHEUVTGABMY-WSNITJDQSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414821380 380431950 /nfs/dbraw/zinc/43/19/50/380431950.db2.gz CBMWGARTKLZFBE-WDEREUQCSA-N 2 1 272.845 3.064 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[NH2+]C ZINC000414832421 380440651 /nfs/dbraw/zinc/44/06/51/380440651.db2.gz RDTQKXUSELYYNS-LBPRGKRZSA-N 2 1 275.223 3.124 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]CCc1ccc(C(C)C)cc1 ZINC000414838949 380445699 /nfs/dbraw/zinc/44/56/99/380445699.db2.gz LABYLYPVYDGWCT-KRWDZBQOSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414839450 380445924 /nfs/dbraw/zinc/44/59/24/380445924.db2.gz GABVUKLJCKDSFW-MNOVXSKESA-N 2 1 287.234 3.266 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414843153 380449921 /nfs/dbraw/zinc/44/99/21/380449921.db2.gz PTKAKMZFRRCCHZ-LBPRGKRZSA-N 2 1 276.355 3.031 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414851081 380454018 /nfs/dbraw/zinc/45/40/18/380454018.db2.gz SYOPVGDIMZFTCF-SMDDNHRTSA-N 2 1 286.341 3.151 20 0 CGADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000414851521 380454165 /nfs/dbraw/zinc/45/41/65/380454165.db2.gz PAAIHGNEIAQKMN-SUMWQHHRSA-N 2 1 278.415 3.426 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414852839 380455367 /nfs/dbraw/zinc/45/53/67/380455367.db2.gz WOKKFCFAPKCVBU-CABCVRRESA-N 2 1 266.816 3.175 20 0 CGADMP CC[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000414767828 380397368 /nfs/dbraw/zinc/39/73/68/380397368.db2.gz KMYSTOOUVHWIHI-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000414801833 380414757 /nfs/dbraw/zinc/41/47/57/380414757.db2.gz MICYFMWFMOYBFR-SFHVURJKSA-N 2 1 282.387 3.306 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1SC ZINC000414807799 380419748 /nfs/dbraw/zinc/41/97/48/380419748.db2.gz DEOZCMRYMXHMMD-UKRRQHHQSA-N 2 1 280.481 3.447 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(F)c(-c2cccs2)c1)C1CC1 ZINC000414809100 380420703 /nfs/dbraw/zinc/42/07/03/380420703.db2.gz TYBHFBUIQHMKCK-HNNXBMFYSA-N 2 1 290.407 3.381 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(OC(F)F)cc1C ZINC000414909711 380485509 /nfs/dbraw/zinc/48/55/09/380485509.db2.gz UGRPLZWONFLVKM-CQSZACIVSA-N 2 1 298.377 3.137 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[NH2+]1 ZINC000414943956 380500038 /nfs/dbraw/zinc/50/00/38/380500038.db2.gz FZNMTVQTFPZCMJ-GDBMZVCRSA-N 2 1 288.435 3.238 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)CC[NH2+]1 ZINC000414946442 380503073 /nfs/dbraw/zinc/50/30/73/380503073.db2.gz JNWQTNQBIBGUMX-UKRRQHHQSA-N 2 1 270.376 3.177 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415040582 380505432 /nfs/dbraw/zinc/50/54/32/380505432.db2.gz KGQQIHGDVZIGAT-ROUUACIJSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414868889 380466773 /nfs/dbraw/zinc/46/67/73/380466773.db2.gz QDOZLNRSTYWGMP-GOEBONIOSA-N 2 1 260.425 3.084 20 0 CGADMP Clc1cccc(Cl)c1CCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414869531 380466891 /nfs/dbraw/zinc/46/68/91/380466891.db2.gz QZNTWMPUPMEKBM-LLVKDONJSA-N 2 1 287.234 3.268 20 0 CGADMP c1ccc(CC(C[NH2+][C@@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000414883037 380474193 /nfs/dbraw/zinc/47/41/93/380474193.db2.gz NGRJTPXVJYEVCE-HXUWFJFHSA-N 2 1 294.442 3.040 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000414898403 380480562 /nfs/dbraw/zinc/48/05/62/380480562.db2.gz SZHVEDODUHLKSH-HNNXBMFYSA-N 2 1 290.407 3.381 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1C(C)(C)C1(C)C ZINC000355120497 380582950 /nfs/dbraw/zinc/58/29/50/380582950.db2.gz GZUOTIAHKWPGAO-LSDHHAIUSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417300632 380587736 /nfs/dbraw/zinc/58/77/36/380587736.db2.gz AQCUYIABVJQSTH-YYFQZIEXSA-N 2 1 278.465 3.312 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417300632 380587741 /nfs/dbraw/zinc/58/77/41/380587741.db2.gz AQCUYIABVJQSTH-YYFQZIEXSA-N 2 1 278.465 3.312 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1c1cccs1 ZINC000417325023 380593676 /nfs/dbraw/zinc/59/36/76/380593676.db2.gz BAUHMPHNXBYIRP-ALEMQFKUSA-N 2 1 290.476 3.455 20 0 CGADMP c1cnc2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2c1 ZINC000355602889 380723985 /nfs/dbraw/zinc/72/39/85/380723985.db2.gz WFYOWEJZHHRZNI-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP C[N@H+](CCc1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000645911352 380773153 /nfs/dbraw/zinc/77/31/53/380773153.db2.gz LYYVAAHZQJVEOM-PBWFPOADSA-N 2 1 294.389 3.064 20 0 CGADMP C[N@@H+](CCc1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000645911352 380773156 /nfs/dbraw/zinc/77/31/56/380773156.db2.gz LYYVAAHZQJVEOM-PBWFPOADSA-N 2 1 294.389 3.064 20 0 CGADMP C[NH+](CCc1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000645911352 380773160 /nfs/dbraw/zinc/77/31/60/380773160.db2.gz LYYVAAHZQJVEOM-PBWFPOADSA-N 2 1 294.389 3.064 20 0 CGADMP C[NH+](CCc1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000645911352 380773165 /nfs/dbraw/zinc/77/31/65/380773165.db2.gz LYYVAAHZQJVEOM-PBWFPOADSA-N 2 1 294.389 3.064 20 0 CGADMP C([NH2+]C1CC2(C1)CCCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000421332274 380876944 /nfs/dbraw/zinc/87/69/44/380876944.db2.gz LITXSVRZSDIEKW-CQSZACIVSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000356704404 380830426 /nfs/dbraw/zinc/83/04/26/380830426.db2.gz VUTJPRWDFSKFEH-YOEHRIQHSA-N 2 1 290.426 3.078 20 0 CGADMP c1ccc([C@@H]2CSCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420318348 380847396 /nfs/dbraw/zinc/84/73/96/380847396.db2.gz ONGXQTUNNYBRLO-RDJZCZTQSA-N 2 1 290.476 3.166 20 0 CGADMP c1csc([C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420310818 380847821 /nfs/dbraw/zinc/84/78/21/380847821.db2.gz GGIYZPORHYTZBW-KGLIPLIRSA-N 2 1 279.453 3.060 20 0 CGADMP C(C[N@H+]1CCC[C@H]1C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000420322306 380848281 /nfs/dbraw/zinc/84/82/81/380848281.db2.gz SLDANGGYEDPQBP-WBVHZDCISA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420323386 380848893 /nfs/dbraw/zinc/84/88/93/380848893.db2.gz TZNMGTQJYSNUPW-HIFRSBDPSA-N 2 1 278.465 3.447 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000356864304 380908253 /nfs/dbraw/zinc/90/82/53/380908253.db2.gz KQYDWDQUGJRMFT-ZIAGYGMSSA-N 2 1 286.423 3.136 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357050334 381014029 /nfs/dbraw/zinc/01/40/29/381014029.db2.gz MFRVGZVJOREWFC-AWEZNQCLSA-N 2 1 293.480 3.088 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357104025 381030540 /nfs/dbraw/zinc/03/05/40/381030540.db2.gz KVIWEEFEEDOBNA-KGLIPLIRSA-N 2 1 284.403 3.037 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C)C1CCCC1 ZINC000572433041 322337368 /nfs/dbraw/zinc/33/73/68/322337368.db2.gz DJEPMASGFIEBEW-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C)C1CCCC1 ZINC000572433041 322337372 /nfs/dbraw/zinc/33/73/72/322337372.db2.gz DJEPMASGFIEBEW-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](C)C[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000357340357 381114500 /nfs/dbraw/zinc/11/45/00/381114500.db2.gz BAUPHIIIEVWPAJ-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226202 381340788 /nfs/dbraw/zinc/34/07/88/381340788.db2.gz VQOSMLJZBHKDQL-MRXNPFEDSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@@H+]1CCC[C@H]1CNCc1ccc(Cl)c(Cl)c1 ZINC000221164779 542287616 /nfs/dbraw/zinc/28/76/16/542287616.db2.gz PEKYJJDZWLRRLW-NSHDSACASA-N 2 1 273.207 3.177 20 0 CGADMP FCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000361530796 381788246 /nfs/dbraw/zinc/78/82/46/381788246.db2.gz LLFXMQMGVPXGCI-GOSISDBHSA-N 2 1 290.426 3.334 20 0 CGADMP FCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361530796 381788251 /nfs/dbraw/zinc/78/82/51/381788251.db2.gz LLFXMQMGVPXGCI-GOSISDBHSA-N 2 1 290.426 3.334 20 0 CGADMP FCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361530796 381788256 /nfs/dbraw/zinc/78/82/56/381788256.db2.gz LLFXMQMGVPXGCI-GOSISDBHSA-N 2 1 290.426 3.334 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)nc1 ZINC000362344313 381949092 /nfs/dbraw/zinc/94/90/92/381949092.db2.gz YLNXQLIVDDPBPU-IACUBPJLSA-N 2 1 279.815 3.012 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)nc1 ZINC000362344313 381949097 /nfs/dbraw/zinc/94/90/97/381949097.db2.gz YLNXQLIVDDPBPU-IACUBPJLSA-N 2 1 279.815 3.012 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362917940 382146225 /nfs/dbraw/zinc/14/62/25/382146225.db2.gz LYBGKCBWLLTKOD-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@H](C)[NH3+])ccc2n1 ZINC000228688627 542298458 /nfs/dbraw/zinc/29/84/58/542298458.db2.gz IEXFPVWMDZTJFU-KBXCAEBGSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H](C)[NH3+])ccc2n1 ZINC000228688627 542298463 /nfs/dbraw/zinc/29/84/63/542298463.db2.gz IEXFPVWMDZTJFU-KBXCAEBGSA-N 2 1 283.419 3.245 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000368107598 382366322 /nfs/dbraw/zinc/36/63/22/382366322.db2.gz GKBZDPRLEIMZAU-HJWJTTGWSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000368107598 382366328 /nfs/dbraw/zinc/36/63/28/382366328.db2.gz GKBZDPRLEIMZAU-HJWJTTGWSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000368107598 382366334 /nfs/dbraw/zinc/36/63/34/382366334.db2.gz GKBZDPRLEIMZAU-HJWJTTGWSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000368107598 382366340 /nfs/dbraw/zinc/36/63/40/382366340.db2.gz GKBZDPRLEIMZAU-HJWJTTGWSA-N 2 1 262.441 3.005 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCO1 ZINC000251569166 542346357 /nfs/dbraw/zinc/34/63/57/542346357.db2.gz IWRWTWDLBFDVIU-YLFCFFPRSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000251741292 542347286 /nfs/dbraw/zinc/34/72/86/542347286.db2.gz KWUPTUXLCTXGGK-JMSVASOKSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000251741292 542347291 /nfs/dbraw/zinc/34/72/91/542347291.db2.gz KWUPTUXLCTXGGK-JMSVASOKSA-N 2 1 266.816 3.460 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)s1 ZINC000251074572 542345165 /nfs/dbraw/zinc/34/51/65/542345165.db2.gz KQVROAQSDDTMJV-GDBMZVCRSA-N 2 1 278.465 3.329 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000251001209 542345354 /nfs/dbraw/zinc/34/53/54/542345354.db2.gz KXPCYPYCKBTFKC-QZTJIDSGSA-N 2 1 272.436 3.267 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(OC(C)C)c2)CC[C@H]1[NH3+] ZINC000251841067 542349211 /nfs/dbraw/zinc/34/92/11/542349211.db2.gz QUNRGQQEYNIVMO-DOTOQJQBSA-N 2 1 276.424 3.033 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000340198123 285013548 /nfs/dbraw/zinc/01/35/48/285013548.db2.gz CSSGTLYPUOVORG-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000280884498 195014808 /nfs/dbraw/zinc/01/48/08/195014808.db2.gz PMTJPXUTWUEELP-MXASKKJJSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000280884498 195014809 /nfs/dbraw/zinc/01/48/09/195014809.db2.gz PMTJPXUTWUEELP-MXASKKJJSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000280884481 195014857 /nfs/dbraw/zinc/01/48/57/195014857.db2.gz PMTJPXUTWUEELP-HJWJTTGWSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000280884481 195014860 /nfs/dbraw/zinc/01/48/60/195014860.db2.gz PMTJPXUTWUEELP-HJWJTTGWSA-N 2 1 258.409 3.005 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000414085308 533175028 /nfs/dbraw/zinc/17/50/28/533175028.db2.gz YOFUIPCOQDOWRV-XHSDSOJGSA-N 2 1 288.435 3.281 20 0 CGADMP FC1(F)CCCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000390601562 262226733 /nfs/dbraw/zinc/22/67/33/262226733.db2.gz UQEILNSCEDNMJK-LBPRGKRZSA-N 2 1 272.383 3.028 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)c(C)c2c1 ZINC000423336546 533358780 /nfs/dbraw/zinc/35/87/80/533358780.db2.gz XTXFJGHUFJPRSI-IAQYHMDHSA-N 2 1 288.391 3.138 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[C@@H]1C ZINC000414086322 533377704 /nfs/dbraw/zinc/37/77/04/533377704.db2.gz ZGZBVBQIAFNRHV-NNXHMXCWSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2ccccc2n1 ZINC000423341796 533438391 /nfs/dbraw/zinc/43/83/91/533438391.db2.gz WXSUPVGRLPWWIW-RDTXWAMCSA-N 2 1 283.419 3.275 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)c(Cl)c1 ZINC000424335901 533519993 /nfs/dbraw/zinc/51/99/93/533519993.db2.gz PQSLSEFZINJBSV-OWYVNGRQSA-N 2 1 270.779 3.400 20 0 CGADMP C[C@@H]([NH2+][C@H](c1ccccc1F)C1CCCC1)[C@H](C)[NH3+] ZINC000423443958 533538016 /nfs/dbraw/zinc/53/80/16/533538016.db2.gz LEBCIDXCFOZPKU-OZVIIMIRSA-N 2 1 264.388 3.382 20 0 CGADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)[C@H](C)[NH3+] ZINC000423454950 533538024 /nfs/dbraw/zinc/53/80/24/533538024.db2.gz ZRWUNHKSWCEENS-RBZYPMLTSA-N 2 1 252.789 3.116 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000423260902 533608410 /nfs/dbraw/zinc/60/84/10/533608410.db2.gz IRADGUAXIQBFIU-ZIAGYGMSSA-N 2 1 294.439 3.036 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424301179 533669738 /nfs/dbraw/zinc/66/97/38/533669738.db2.gz XJRQDACMZYHTFV-MRXNPFEDSA-N 2 1 272.436 3.267 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000191574334 130257730 /nfs/dbraw/zinc/25/77/30/130257730.db2.gz HZGGPCRGDASYQL-MRXNPFEDSA-N 2 1 277.456 3.409 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CCC(C)CC1)[NH+]1CCCC1 ZINC000021517193 391942146 /nfs/dbraw/zinc/94/21/46/391942146.db2.gz TZLMHYHQMZAEQM-UYSNPLJNSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994887 391965105 /nfs/dbraw/zinc/96/51/05/391965105.db2.gz VMHFXEIULPRXDW-GOSISDBHSA-N 2 1 272.436 3.170 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000361763652 392316963 /nfs/dbraw/zinc/31/69/63/392316963.db2.gz ISJLISRUANYDNM-KMFMINBZSA-N 2 1 276.424 3.219 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC000105443444 392289373 /nfs/dbraw/zinc/28/93/73/392289373.db2.gz KGMIRFITFVPFIC-LBPRGKRZSA-N 2 1 277.799 3.271 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245573315 131087628 /nfs/dbraw/zinc/08/76/28/131087628.db2.gz AECWQADFTCRORR-CABCVRRESA-N 2 1 284.403 3.458 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245573315 131087629 /nfs/dbraw/zinc/08/76/29/131087629.db2.gz AECWQADFTCRORR-CABCVRRESA-N 2 1 284.403 3.458 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000247975019 131109209 /nfs/dbraw/zinc/10/92/09/131109209.db2.gz KRNYIYDDDCSXNH-OIISXLGYSA-N 2 1 272.436 3.179 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000249384308 131120678 /nfs/dbraw/zinc/12/06/78/131120678.db2.gz XCLDRHAMHUKFBP-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP Cc1cc(N(C)C)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251057324 131128654 /nfs/dbraw/zinc/12/86/54/131128654.db2.gz VXSPUQJMQHDAOG-HOCLYGCPSA-N 2 1 273.424 3.100 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000261824030 131171548 /nfs/dbraw/zinc/17/15/48/131171548.db2.gz SMZXZXJOFHDDPE-HNNXBMFYSA-N 2 1 278.827 3.129 20 0 CGADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000262057555 131187668 /nfs/dbraw/zinc/18/76/68/131187668.db2.gz IVIRDQCMIZODBZ-HNNXBMFYSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000362016247 392388288 /nfs/dbraw/zinc/38/82/88/392388288.db2.gz PIYVXCLSUJVDGB-OCCSQVGLSA-N 2 1 298.377 3.026 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000362016247 392388292 /nfs/dbraw/zinc/38/82/92/392388292.db2.gz PIYVXCLSUJVDGB-OCCSQVGLSA-N 2 1 298.377 3.026 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000289326897 392420771 /nfs/dbraw/zinc/42/07/71/392420771.db2.gz UISQOLPEXVWEFS-NVXWUHKLSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000289326897 392420777 /nfs/dbraw/zinc/42/07/77/392420777.db2.gz UISQOLPEXVWEFS-NVXWUHKLSA-N 2 1 289.467 3.033 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000127221694 392445938 /nfs/dbraw/zinc/44/59/38/392445938.db2.gz RGHDEHOGKSPFHW-INMHGKMJSA-N 2 1 272.436 3.037 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000367057119 392464039 /nfs/dbraw/zinc/46/40/39/392464039.db2.gz FZAHGXBDAFRKAO-MRXNPFEDSA-N 2 1 290.451 3.054 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000153673644 392526526 /nfs/dbraw/zinc/52/65/26/392526526.db2.gz GNGIABGOVHFIFT-BLLLJJGKSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000153673644 392526532 /nfs/dbraw/zinc/52/65/32/392526532.db2.gz GNGIABGOVHFIFT-BLLLJJGKSA-N 2 1 278.827 3.211 20 0 CGADMP CC[C@@H](N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947435 392490148 /nfs/dbraw/zinc/49/01/48/392490148.db2.gz PSTQBLIHWIKCHP-UAGQMJEPSA-N 2 1 290.451 3.465 20 0 CGADMP CC[C@@H](N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947435 392490158 /nfs/dbraw/zinc/49/01/58/392490158.db2.gz PSTQBLIHWIKCHP-UAGQMJEPSA-N 2 1 290.451 3.465 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000472626096 542701870 /nfs/dbraw/zinc/70/18/70/542701870.db2.gz MZKNVBDUTPDYGI-INIZCTEOSA-N 2 1 284.488 3.029 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162228956 392592611 /nfs/dbraw/zinc/59/26/11/392592611.db2.gz HSXVJTNMOZDVBL-JSGCOSHPSA-N 2 1 290.455 3.086 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163661247 392604303 /nfs/dbraw/zinc/60/43/03/392604303.db2.gz DBPSMYUCNBEFBO-OIISXLGYSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163661247 392604307 /nfs/dbraw/zinc/60/43/07/392604307.db2.gz DBPSMYUCNBEFBO-OIISXLGYSA-N 2 1 260.425 3.080 20 0 CGADMP CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344120 392693324 /nfs/dbraw/zinc/69/33/24/392693324.db2.gz JPDHKRUNBOUTLX-OIISXLGYSA-N 2 1 260.425 3.110 20 0 CGADMP Fc1cccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)c1 ZINC000647329142 392673268 /nfs/dbraw/zinc/67/32/68/392673268.db2.gz HSTXACABDIBAHQ-UHFFFAOYSA-N 2 1 288.410 3.421 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]C(C2CC2)C2CC2)[C@H](c2ccccc2)C1 ZINC000647344671 392694867 /nfs/dbraw/zinc/69/48/67/392694867.db2.gz WSIMJFQYVMDHIE-MSOLQXFVSA-N 2 1 284.447 3.110 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000482198109 542707024 /nfs/dbraw/zinc/70/70/24/542707024.db2.gz ITMVEEJRBHMABL-HZPDHXFCSA-N 2 1 262.441 3.185 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284121 392635920 /nfs/dbraw/zinc/63/59/20/392635920.db2.gz CJIPXJLMRATUJG-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284121 392635922 /nfs/dbraw/zinc/63/59/22/392635922.db2.gz CJIPXJLMRATUJG-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]C2CC(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000647344579 392692513 /nfs/dbraw/zinc/69/25/13/392692513.db2.gz USIQIQSMEXROLS-WBVHZDCISA-N 2 1 272.436 3.110 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482591 392737252 /nfs/dbraw/zinc/73/72/52/392737252.db2.gz RKVHRRDDEYBETQ-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496574 392740323 /nfs/dbraw/zinc/74/03/23/392740323.db2.gz YZYYTCZRDSXNCX-LSDHHAIUSA-N 2 1 260.425 3.023 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000647505956 392744464 /nfs/dbraw/zinc/74/44/64/392744464.db2.gz UBHQXFWTMYCTRS-KRWDZBQOSA-N 2 1 271.408 3.040 20 0 CGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000182376432 392744505 /nfs/dbraw/zinc/74/45/05/392744505.db2.gz SEJLIUBJAMVQGT-ACJLOTCBSA-N 2 1 288.410 3.277 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)ccc2n1 ZINC000334834659 392754302 /nfs/dbraw/zinc/75/43/02/392754302.db2.gz YMXSGGTYONRBPY-IFXJQAMLSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@@H]3C)ccc2n1 ZINC000334834659 392754311 /nfs/dbraw/zinc/75/43/11/392754311.db2.gz YMXSGGTYONRBPY-IFXJQAMLSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)ccc2n1 ZINC000334834659 392754314 /nfs/dbraw/zinc/75/43/14/392754314.db2.gz YMXSGGTYONRBPY-IFXJQAMLSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)ccc2n1 ZINC000334834659 392754323 /nfs/dbraw/zinc/75/43/23/392754323.db2.gz YMXSGGTYONRBPY-IFXJQAMLSA-N 2 1 297.446 3.315 20 0 CGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543899 392759926 /nfs/dbraw/zinc/75/99/26/392759926.db2.gz UFOINCAGOWAJOX-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000647545747 392762321 /nfs/dbraw/zinc/76/23/21/392762321.db2.gz MCOPOPPGHVGAMF-DLBZAZTESA-N 2 1 286.463 3.286 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3ccc(C)cc3)CCC2)CC1 ZINC000647351573 392701958 /nfs/dbraw/zinc/70/19/58/392701958.db2.gz FDTDLNBZDKXZIZ-UHFFFAOYSA-N 2 1 272.436 3.448 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCCOc1ccccc1)CC2 ZINC000374984654 392723261 /nfs/dbraw/zinc/72/32/61/392723261.db2.gz XLJDJMPBZHFVQB-UHFFFAOYSA-N 2 1 288.435 3.016 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCCOc1ccccc1)CC2 ZINC000374984654 392723266 /nfs/dbraw/zinc/72/32/66/392723266.db2.gz XLJDJMPBZHFVQB-UHFFFAOYSA-N 2 1 288.435 3.016 20 0 CGADMP CC[C@H]1CN(c2[nH+]ccc3ccc(C)cc32)CC[C@@H]1[NH3+] ZINC000647707289 392787473 /nfs/dbraw/zinc/78/74/73/392787473.db2.gz AMPGATBJRUZXFU-BBRMVZONSA-N 2 1 269.392 3.107 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647872236 392818898 /nfs/dbraw/zinc/81/88/98/392818898.db2.gz JWQFUQOJKNKGRO-LLVKDONJSA-N 2 1 273.207 3.035 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647872236 392818906 /nfs/dbraw/zinc/81/89/06/392818906.db2.gz JWQFUQOJKNKGRO-LLVKDONJSA-N 2 1 273.207 3.035 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647873425 392819289 /nfs/dbraw/zinc/81/92/89/392819289.db2.gz HYUJTZACNYDSOB-CYBMUJFWSA-N 2 1 272.392 3.037 20 0 CGADMP Clc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647876422 392820252 /nfs/dbraw/zinc/82/02/52/392820252.db2.gz YNUSEDSTIACKEX-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP Clc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647876422 392820259 /nfs/dbraw/zinc/82/02/59/392820259.db2.gz YNUSEDSTIACKEX-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900384 392828727 /nfs/dbraw/zinc/82/87/27/392828727.db2.gz AHYNFQFJCULXKE-BDXSIMOUSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC[C@@H]1[NH3+] ZINC000647934778 392835686 /nfs/dbraw/zinc/83/56/86/392835686.db2.gz PSXRONPZZHNHGR-XFBWCDHKSA-N 2 1 278.827 3.387 20 0 CGADMP Clc1ccccc1C[N@H+](CC1CC1)C[C@@H]1CC[NH2+]C1 ZINC000647990205 392858441 /nfs/dbraw/zinc/85/84/41/392858441.db2.gz FWVWAVBNAUMSRY-CQSZACIVSA-N 2 1 278.827 3.162 20 0 CGADMP Clc1ccccc1C[N@@H+](CC1CC1)C[C@@H]1CC[NH2+]C1 ZINC000647990205 392858446 /nfs/dbraw/zinc/85/84/46/392858446.db2.gz FWVWAVBNAUMSRY-CQSZACIVSA-N 2 1 278.827 3.162 20 0 CGADMP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647992134 392860345 /nfs/dbraw/zinc/86/03/45/392860345.db2.gz HLPRPNGONODPMS-LPHOPBHVSA-N 2 1 298.405 3.309 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCC12CCC2)[NH+]1CCCC1 ZINC000337382002 392882199 /nfs/dbraw/zinc/88/21/99/392882199.db2.gz DZZUYYFZIASBFB-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000394571532 392938474 /nfs/dbraw/zinc/93/84/74/392938474.db2.gz PEXWXWJZSBZFJA-DNLWUEFJSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000394551600 392938542 /nfs/dbraw/zinc/93/85/42/392938542.db2.gz ZKFZSTOYEVKDDF-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000514090889 542733721 /nfs/dbraw/zinc/73/37/21/542733721.db2.gz WYRTVDWODKGWSJ-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000514084497 542734046 /nfs/dbraw/zinc/73/40/46/542734046.db2.gz QEWQUKQUDYKNMT-RBUKOAKNSA-N 2 1 286.463 3.459 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000514084497 542734050 /nfs/dbraw/zinc/73/40/50/542734050.db2.gz QEWQUKQUDYKNMT-RBUKOAKNSA-N 2 1 286.463 3.459 20 0 CGADMP C[N@@H+](CC1CCC(F)(F)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000459340525 392942205 /nfs/dbraw/zinc/94/22/05/392942205.db2.gz MTEGTKWRAZFLCM-CQSZACIVSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC1CCC(F)(F)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000459340525 392942207 /nfs/dbraw/zinc/94/22/07/392942207.db2.gz MTEGTKWRAZFLCM-CQSZACIVSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC1CCC(F)(F)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459340525 392942213 /nfs/dbraw/zinc/94/22/13/392942213.db2.gz MTEGTKWRAZFLCM-CQSZACIVSA-N 2 1 274.399 3.086 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000219233513 393000983 /nfs/dbraw/zinc/00/09/83/393000983.db2.gz SIERRRWMPGXAOJ-SJORKVTESA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000219233513 393000988 /nfs/dbraw/zinc/00/09/88/393000988.db2.gz SIERRRWMPGXAOJ-SJORKVTESA-N 2 1 258.409 3.020 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCC1 ZINC000648452221 393023159 /nfs/dbraw/zinc/02/31/59/393023159.db2.gz ODRWXHYEZIWNKA-MSOLQXFVSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000648452037 393023213 /nfs/dbraw/zinc/02/32/13/393023213.db2.gz BSKHNFPOQUKHMQ-GDBMZVCRSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415008454 393092136 /nfs/dbraw/zinc/09/21/36/393092136.db2.gz MOWWEXBYQKOFPZ-YUMQZZPRSA-N 2 1 280.721 3.184 20 0 CGADMP Cc1ccc(COc2ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc2)cc1 ZINC000415009615 393093712 /nfs/dbraw/zinc/09/37/12/393093712.db2.gz FZVIKRHJSPOWQZ-JKSUJKDBSA-N 2 1 298.430 3.399 20 0 CGADMP Cc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1Oc1cccnc1 ZINC000415011975 393095202 /nfs/dbraw/zinc/09/52/02/393095202.db2.gz RRAXKWTUCIJRQA-UONOGXRCSA-N 2 1 285.391 3.008 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415043733 393109329 /nfs/dbraw/zinc/10/93/29/393109329.db2.gz BCPNTKVBFIAUGB-KRWDZBQOSA-N 2 1 276.424 3.081 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000467518357 393103639 /nfs/dbraw/zinc/10/36/39/393103639.db2.gz LOCZFVXADKEXHL-XQRVVYSFSA-N 2 1 276.399 3.257 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000467518357 393103643 /nfs/dbraw/zinc/10/36/43/393103643.db2.gz LOCZFVXADKEXHL-XQRVVYSFSA-N 2 1 276.399 3.257 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344295322 393041222 /nfs/dbraw/zinc/04/12/22/393041222.db2.gz JVKVPCLYNOSAJA-IMJJTQAJSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000414652004 393050107 /nfs/dbraw/zinc/05/01/07/393050107.db2.gz CTAVCJKMMWMVPC-YJBOKZPZSA-N 2 1 274.452 3.412 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1SC ZINC000414807797 393054149 /nfs/dbraw/zinc/05/41/49/393054149.db2.gz DEOZCMRYMXHMMD-HIFRSBDPSA-N 2 1 280.481 3.447 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414973246 393075246 /nfs/dbraw/zinc/07/52/46/393075246.db2.gz CALXDBJLDWBQKD-NSHDSACASA-N 2 1 278.396 3.381 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414978503 393077079 /nfs/dbraw/zinc/07/70/79/393077079.db2.gz MBSAJUNBDIHIKP-CYBMUJFWSA-N 2 1 278.396 3.381 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000348087929 393112354 /nfs/dbraw/zinc/11/23/54/393112354.db2.gz XCMZEHOKQWTDJG-SOUVJXGZSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@H](C)[C@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000348087929 393112359 /nfs/dbraw/zinc/11/23/59/393112359.db2.gz XCMZEHOKQWTDJG-SOUVJXGZSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@H](C)[C@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000348087929 393112361 /nfs/dbraw/zinc/11/23/61/393112361.db2.gz XCMZEHOKQWTDJG-SOUVJXGZSA-N 2 1 252.446 3.370 20 0 CGADMP CCSc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415055052 393117412 /nfs/dbraw/zinc/11/74/12/393117412.db2.gz MFRDCAXDMXPDOV-CZUORRHYSA-N 2 1 278.465 3.215 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348249177 393118350 /nfs/dbraw/zinc/11/83/50/393118350.db2.gz UTMVYOBHTQCNKS-SJORKVTESA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000415063715 393123920 /nfs/dbraw/zinc/12/39/20/393123920.db2.gz IWQSCXHYQHSCNX-YOEHRIQHSA-N 2 1 260.425 3.287 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCCCOc1ccccc1)C1CCCC1 ZINC000415065577 393124748 /nfs/dbraw/zinc/12/47/48/393124748.db2.gz NBZZNYMNTMQTRT-GOSISDBHSA-N 2 1 290.451 3.343 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c(C)c1 ZINC000261688025 393140312 /nfs/dbraw/zinc/14/03/12/393140312.db2.gz HHVZFIKIKVJHRH-QGZVFWFLSA-N 2 1 272.436 3.092 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415088377 393140333 /nfs/dbraw/zinc/14/03/33/393140333.db2.gz LXHGRNBMTQLVTR-BXUZGUMPSA-N 2 1 286.341 3.151 20 0 CGADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000415104070 393147413 /nfs/dbraw/zinc/14/74/13/393147413.db2.gz DMJAPKDXDGGKPG-OKZBNKHCSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C[C@@H]1C[NH3+] ZINC000415133185 393155010 /nfs/dbraw/zinc/15/50/10/393155010.db2.gz UXWYOMJHLPUABY-KXBFYZLASA-N 2 1 295.430 3.165 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(Cl)c1 ZINC000415142239 393155976 /nfs/dbraw/zinc/15/59/76/393155976.db2.gz PPFFXDKCCCPHGA-YWPYICTPSA-N 2 1 266.816 3.174 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1C1CCC1 ZINC000646138376 393223493 /nfs/dbraw/zinc/22/34/93/393223493.db2.gz FEWZJDGYFKCXTJ-HZPDHXFCSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138376 393223499 /nfs/dbraw/zinc/22/34/99/393223499.db2.gz FEWZJDGYFKCXTJ-HZPDHXFCSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138376 393223505 /nfs/dbraw/zinc/22/35/05/393223505.db2.gz FEWZJDGYFKCXTJ-HZPDHXFCSA-N 2 1 250.430 3.125 20 0 CGADMP c1ccc2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000271194243 393247287 /nfs/dbraw/zinc/24/72/87/393247287.db2.gz MZGSKOXJMLRLSS-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP c1ccc2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000271194243 393247291 /nfs/dbraw/zinc/24/72/91/393247291.db2.gz MZGSKOXJMLRLSS-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCCCC1 ZINC000471772620 393302327 /nfs/dbraw/zinc/30/23/27/393302327.db2.gz RSEINJOQXFYGPJ-INIZCTEOSA-N 2 1 263.429 3.301 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000355215378 393263125 /nfs/dbraw/zinc/26/31/25/393263125.db2.gz CMOSIRFOGVVQDX-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000355215378 393263131 /nfs/dbraw/zinc/26/31/31/393263131.db2.gz CMOSIRFOGVVQDX-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000355215378 393263138 /nfs/dbraw/zinc/26/31/38/393263138.db2.gz CMOSIRFOGVVQDX-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP CSc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000356159088 393363405 /nfs/dbraw/zinc/36/34/05/393363405.db2.gz GAMNKPQPJRLVOE-LLVKDONJSA-N 2 1 282.478 3.044 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420388402 393480240 /nfs/dbraw/zinc/48/02/40/393480240.db2.gz WZEXAPUOIATSMU-IAGOWNOFSA-N 2 1 276.399 3.352 20 0 CGADMP C[NH2+]C[C@H](C)CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000420187371 393434537 /nfs/dbraw/zinc/43/45/37/393434537.db2.gz DGNJUZQPHSLRPA-VIFPVBQESA-N 2 1 281.762 3.295 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1C ZINC000481992649 393438741 /nfs/dbraw/zinc/43/87/41/393438741.db2.gz RGQWZBRFWFKTCH-JJTUDDRGSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000484137232 393444286 /nfs/dbraw/zinc/44/42/86/393444286.db2.gz FXRNTIKCLMBIBM-CZUORRHYSA-N 2 1 292.854 3.301 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427118511 393454289 /nfs/dbraw/zinc/45/42/89/393454289.db2.gz YEAAZLVSIYOCKD-ZWKOTPCHSA-N 2 1 272.436 3.036 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000420304250 393457960 /nfs/dbraw/zinc/45/79/60/393457960.db2.gz LJNNLRQLXTVARW-JFIYKMOQSA-N 2 1 288.435 3.002 20 0 CGADMP FCCCCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420311611 393460632 /nfs/dbraw/zinc/46/06/32/393460632.db2.gz NUNPAZLUDAFVDG-KRWDZBQOSA-N 2 1 293.430 3.166 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]CC1 ZINC000420315910 393461633 /nfs/dbraw/zinc/46/16/33/393461633.db2.gz SEZLIBACCQMHRR-ZIAGYGMSSA-N 2 1 274.399 3.276 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420318862 393463220 /nfs/dbraw/zinc/46/32/20/393463220.db2.gz PBVFXGBJDKHRAJ-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420318752 393464241 /nfs/dbraw/zinc/46/42/41/393464241.db2.gz OSWOAASNRQTYML-WBVHZDCISA-N 2 1 258.409 3.132 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000420320411 393465215 /nfs/dbraw/zinc/46/52/15/393465215.db2.gz QEGFIMJUZNXCHZ-OCCSQVGLSA-N 2 1 296.842 3.296 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000420320411 393465219 /nfs/dbraw/zinc/46/52/19/393465219.db2.gz QEGFIMJUZNXCHZ-OCCSQVGLSA-N 2 1 296.842 3.296 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H]2CCC[C@H](C)C2)cc1 ZINC000420321136 393466722 /nfs/dbraw/zinc/46/67/22/393466722.db2.gz QUFRIKLBPFZIBS-UAGQMJEPSA-N 2 1 290.451 3.248 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420335039 393469804 /nfs/dbraw/zinc/46/98/04/393469804.db2.gz USYUPXQXHUSINK-IRXDYDNUSA-N 2 1 290.426 3.080 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420332245 393470188 /nfs/dbraw/zinc/47/01/88/393470188.db2.gz RQJILPFBNNURHI-JKSUJKDBSA-N 2 1 278.465 3.002 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000420407565 393484002 /nfs/dbraw/zinc/48/40/02/393484002.db2.gz OLKCOCDPGMNUMD-MNOVXSKESA-N 2 1 270.779 3.129 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCCC1CCOCC1)C1CCCCC1 ZINC000420374005 393478500 /nfs/dbraw/zinc/47/85/00/393478500.db2.gz RQWZJXJFRYQHIB-QGZVFWFLSA-N 2 1 282.472 3.081 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCOCc1ccccc1)C1CCCCC1 ZINC000420379193 393478584 /nfs/dbraw/zinc/47/85/84/393478584.db2.gz XNSXYHKYMWNTAO-GOSISDBHSA-N 2 1 290.451 3.091 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420378359 393478695 /nfs/dbraw/zinc/47/86/95/393478695.db2.gz QIVBXGYJAXCMJU-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420378359 393478698 /nfs/dbraw/zinc/47/86/98/393478698.db2.gz QIVBXGYJAXCMJU-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647249412 393411918 /nfs/dbraw/zinc/41/19/18/393411918.db2.gz YIFWYABSVFLABS-APWZRJJASA-N 2 1 298.430 3.277 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647249412 393411923 /nfs/dbraw/zinc/41/19/23/393411923.db2.gz YIFWYABSVFLABS-APWZRJJASA-N 2 1 298.430 3.277 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@@H]1C[NH3+] ZINC000420412745 393486378 /nfs/dbraw/zinc/48/63/78/393486378.db2.gz SPTHZGQJDQWAON-IFIJOSMWSA-N 2 1 276.399 3.120 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000488336127 393489954 /nfs/dbraw/zinc/48/99/54/393489954.db2.gz ZGFROTFDDVDVQZ-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000488421357 393507466 /nfs/dbraw/zinc/50/74/66/393507466.db2.gz KAKKAHFVMWPXMT-QLFBSQMISA-N 2 1 278.465 3.206 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000488421357 393507468 /nfs/dbraw/zinc/50/74/68/393507468.db2.gz KAKKAHFVMWPXMT-QLFBSQMISA-N 2 1 278.465 3.206 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000488452244 393519433 /nfs/dbraw/zinc/51/94/33/393519433.db2.gz UQZCIIAOXISDFU-KQTLUZQSSA-N 2 1 278.465 3.377 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000488452244 393519434 /nfs/dbraw/zinc/51/94/34/393519434.db2.gz UQZCIIAOXISDFU-KQTLUZQSSA-N 2 1 278.465 3.377 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000488452243 393519693 /nfs/dbraw/zinc/51/96/93/393519693.db2.gz UQZCIIAOXISDFU-IXYNUQLISA-N 2 1 278.465 3.377 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000488452243 393519698 /nfs/dbraw/zinc/51/96/98/393519698.db2.gz UQZCIIAOXISDFU-IXYNUQLISA-N 2 1 278.465 3.377 20 0 CGADMP CCc1cccc(Cl)c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430151910 393529898 /nfs/dbraw/zinc/52/98/98/393529898.db2.gz VVHUTPZMHIPFAL-KRWDZBQOSA-N 2 1 292.854 3.430 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430151910 393529903 /nfs/dbraw/zinc/52/99/03/393529903.db2.gz VVHUTPZMHIPFAL-KRWDZBQOSA-N 2 1 292.854 3.430 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430151910 393529907 /nfs/dbraw/zinc/52/99/07/393529907.db2.gz VVHUTPZMHIPFAL-KRWDZBQOSA-N 2 1 292.854 3.430 20 0 CGADMP CCc1cccc(Cl)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430151910 393529912 /nfs/dbraw/zinc/52/99/12/393529912.db2.gz VVHUTPZMHIPFAL-KRWDZBQOSA-N 2 1 292.854 3.430 20 0 CGADMP CCc1cccc(Cl)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430151910 393529916 /nfs/dbraw/zinc/52/99/16/393529916.db2.gz VVHUTPZMHIPFAL-KRWDZBQOSA-N 2 1 292.854 3.430 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCC3CCCCC3)C2)C1 ZINC000430147125 393530432 /nfs/dbraw/zinc/53/04/32/393530432.db2.gz NKWDMQVKGWRETD-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000359630803 393553599 /nfs/dbraw/zinc/55/35/99/393553599.db2.gz HWJCOYLTKONJAF-QGZVFWFLSA-N 2 1 260.425 3.302 20 0 CGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430560010 393575194 /nfs/dbraw/zinc/57/51/94/393575194.db2.gz YFECTLWEYYFRMR-SJORKVTESA-N 2 1 290.451 3.132 20 0 CGADMP Cc1ccc(SCC[NH2+][C@](C)(C[NH3+])C(C)C)cc1C ZINC000430562388 393576039 /nfs/dbraw/zinc/57/60/39/393576039.db2.gz QZAPLHPMQFSDLF-MRXNPFEDSA-N 2 1 280.481 3.359 20 0 CGADMP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666770273 542814385 /nfs/dbraw/zinc/81/43/85/542814385.db2.gz QZUROYQXQVIMII-ULQDDVLXSA-N 2 1 276.399 3.194 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430631369 393581793 /nfs/dbraw/zinc/58/17/93/393581793.db2.gz BBUVBZWQFJBPNY-INIZCTEOSA-N 2 1 298.430 3.279 20 0 CGADMP Cc1ccc(SCC[N@H+]2CCC[C@H](C[NH3+])C2)cc1C ZINC000430667412 393584316 /nfs/dbraw/zinc/58/43/16/393584316.db2.gz PPSGRSJFDJIFCT-OAHLLOKOSA-N 2 1 278.465 3.066 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)[C@H]1C ZINC000360771712 393585618 /nfs/dbraw/zinc/58/56/18/393585618.db2.gz JIBPJVNLASFUGS-QLFBSQMISA-N 2 1 275.440 3.310 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432415797 393610949 /nfs/dbraw/zinc/61/09/49/393610949.db2.gz DMELEPDDQLXIGP-IRXDYDNUSA-N 2 1 282.472 3.212 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432415797 393610952 /nfs/dbraw/zinc/61/09/52/393610952.db2.gz DMELEPDDQLXIGP-IRXDYDNUSA-N 2 1 282.472 3.212 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC(OC(C)(C)C)C2)[C@@H](C)C1 ZINC000432426917 393612671 /nfs/dbraw/zinc/61/26/71/393612671.db2.gz ASVMLIOTACMKKU-ZGRYLRDCSA-N 2 1 296.499 3.290 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)C(C)C)CC1)CC(C)C ZINC000432777990 393637731 /nfs/dbraw/zinc/63/77/31/393637731.db2.gz CGOPTHOGRNGEPB-GOSISDBHSA-N 2 1 298.515 3.083 20 0 CGADMP C[C@@H]([NH2+]CCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000422742335 393641061 /nfs/dbraw/zinc/64/10/61/393641061.db2.gz RLRWOVHLCSHPLN-QMTHXVAHSA-N 2 1 287.234 3.266 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2Br ZINC000423269012 393658086 /nfs/dbraw/zinc/65/80/86/393658086.db2.gz GTTOQXZMFKRPHB-KGLIPLIRSA-N 2 1 297.240 3.009 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423285604 393659177 /nfs/dbraw/zinc/65/91/77/393659177.db2.gz ZKAOLEPOHWJDKZ-STQMWFEESA-N 2 1 284.856 3.450 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000423276157 393659614 /nfs/dbraw/zinc/65/96/14/393659614.db2.gz MLJUMZKKIQEJRB-VLEJYLOPSA-N 2 1 278.362 3.071 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000423390339 393665502 /nfs/dbraw/zinc/66/55/02/393665502.db2.gz KAVJNRFRUNLQPS-IINYFYTJSA-N 2 1 297.240 3.153 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CCCC1 ZINC000423516900 393671612 /nfs/dbraw/zinc/67/16/12/393671612.db2.gz YHAIFNNLVUXUON-SJORKVTESA-N 2 1 276.399 3.310 20 0 CGADMP CC1(C)CC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000433164583 393692223 /nfs/dbraw/zinc/69/22/23/393692223.db2.gz RUZPGTNSYGDMDL-KRWDZBQOSA-N 2 1 286.463 3.329 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425363496 393693751 /nfs/dbraw/zinc/69/37/51/393693751.db2.gz WLAZWCDJQGFCTR-BFJAYTPKSA-N 2 1 282.497 3.123 20 0 CGADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000433300393 393709214 /nfs/dbraw/zinc/70/92/14/393709214.db2.gz DMUQKANCQNHQMI-CQSZACIVSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000433300393 393709216 /nfs/dbraw/zinc/70/92/16/393709216.db2.gz DMUQKANCQNHQMI-CQSZACIVSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000443962684 393778827 /nfs/dbraw/zinc/77/88/27/393778827.db2.gz JKCHIVYFLVGYSJ-OAHLLOKOSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449094631 393875086 /nfs/dbraw/zinc/87/50/86/393875086.db2.gz SQDWKTYXLKSTQN-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449094631 393875088 /nfs/dbraw/zinc/87/50/88/393875088.db2.gz SQDWKTYXLKSTQN-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000449388063 393879962 /nfs/dbraw/zinc/87/99/62/393879962.db2.gz ZAAPYLSOTACYJS-FGTMMUONSA-N 2 1 296.499 3.290 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000502707864 393883321 /nfs/dbraw/zinc/88/33/21/393883321.db2.gz NBGRTQWOWOKRCD-CGTJXYLNSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000502890092 393887204 /nfs/dbraw/zinc/88/72/04/393887204.db2.gz IJLWIAZDWNKKPM-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000502890092 393887205 /nfs/dbraw/zinc/88/72/05/393887205.db2.gz IJLWIAZDWNKKPM-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000502890092 393887206 /nfs/dbraw/zinc/88/72/06/393887206.db2.gz IJLWIAZDWNKKPM-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560449 393904111 /nfs/dbraw/zinc/90/41/11/393904111.db2.gz LIOFWKINIQNFDD-BLNMRFBMSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC(F)(F)CC1 ZINC000449560670 393904250 /nfs/dbraw/zinc/90/42/50/393904250.db2.gz OFMFVHARFYGRTL-JZIBPQBNSA-N 2 1 286.410 3.415 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[C@@H](C)C1 ZINC000449764763 393944192 /nfs/dbraw/zinc/94/41/92/393944192.db2.gz DKSPGAWKLOCEAF-JSRQGNBESA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000453056409 394155147 /nfs/dbraw/zinc/15/51/47/394155147.db2.gz BXSNKCKEILHBQZ-NJAFHUGGSA-N 2 1 287.451 3.009 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453103939 394172738 /nfs/dbraw/zinc/17/27/38/394172738.db2.gz YEOMNZMXBDWQHX-WMZOPIPTSA-N 2 1 289.467 3.114 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000453247588 394218898 /nfs/dbraw/zinc/21/88/98/394218898.db2.gz KAJLOXWSWKQZOJ-HYVNUMGLSA-N 2 1 272.436 3.179 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453387820 394226848 /nfs/dbraw/zinc/22/68/48/394226848.db2.gz BGLAQZFCSVJFET-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453402141 394234688 /nfs/dbraw/zinc/23/46/88/394234688.db2.gz NCCWERUAHWNIAN-QGZVFWFLSA-N 2 1 293.430 3.382 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1F ZINC000453416230 394240420 /nfs/dbraw/zinc/24/04/20/394240420.db2.gz ISRFDHGUPDLVSM-CYBMUJFWSA-N 2 1 264.388 3.351 20 0 CGADMP C[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453601694 394254664 /nfs/dbraw/zinc/25/46/64/394254664.db2.gz VGIPBOLGQCFTRS-HNNXBMFYSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1ccc(C)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453601271 394254672 /nfs/dbraw/zinc/25/46/72/394254672.db2.gz NGPMPOHVEQBXKP-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCCCCC1 ZINC000667492047 542876526 /nfs/dbraw/zinc/87/65/26/542876526.db2.gz SPESIVUCNSXWPB-UHFFFAOYSA-N 2 1 284.407 3.422 20 0 CGADMP CCc1cccc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)oc21 ZINC000667629056 542900111 /nfs/dbraw/zinc/90/01/11/542900111.db2.gz YYIHDANEVMPRIW-AWEZNQCLSA-N 2 1 286.419 3.379 20 0 CGADMP CCc1cccc2cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)oc21 ZINC000667629056 542900114 /nfs/dbraw/zinc/90/01/14/542900114.db2.gz YYIHDANEVMPRIW-AWEZNQCLSA-N 2 1 286.419 3.379 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000517730901 285586817 /nfs/dbraw/zinc/58/68/17/285586817.db2.gz IPMRDLXLFPQQNV-INIZCTEOSA-N 2 1 276.424 3.106 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc21 ZINC000668063435 542964419 /nfs/dbraw/zinc/96/44/19/542964419.db2.gz MJRPHFOCBZDYPE-MRXNPFEDSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc21 ZINC000668063435 542964421 /nfs/dbraw/zinc/96/44/21/542964421.db2.gz MJRPHFOCBZDYPE-MRXNPFEDSA-N 2 1 285.435 3.392 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2c(cccc2C)[nH]1 ZINC000668165763 542978826 /nfs/dbraw/zinc/97/88/26/542978826.db2.gz FLPKMVJVQJPYKY-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cccc2C)[nH]1 ZINC000668165763 542978830 /nfs/dbraw/zinc/97/88/30/542978830.db2.gz FLPKMVJVQJPYKY-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP COc1ccc2c(c1)CC[N@H+](CCCc1ccc(C)nc1)C2 ZINC000668604895 543034784 /nfs/dbraw/zinc/03/47/84/543034784.db2.gz WFHAFXCSJWPZEW-UHFFFAOYSA-N 2 1 296.414 3.390 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)C(C)(C)C)C[C@H]1C ZINC000670264907 543146738 /nfs/dbraw/zinc/14/67/38/543146738.db2.gz QEMIDYGDQUOQHU-ZNMIVQPWSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)C(C)(C)C)C[C@H]1C ZINC000670264907 543146741 /nfs/dbraw/zinc/14/67/41/543146741.db2.gz QEMIDYGDQUOQHU-ZNMIVQPWSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)C(C)(C)C)C[C@H]1C ZINC000670264907 543146742 /nfs/dbraw/zinc/14/67/42/543146742.db2.gz QEMIDYGDQUOQHU-ZNMIVQPWSA-N 2 1 254.462 3.473 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](C)C(C)(C)C ZINC000670267338 543148711 /nfs/dbraw/zinc/14/87/11/543148711.db2.gz AKAQPBZPWAZUBP-ZDUSSCGKSA-N 2 1 251.418 3.244 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)c(C)c1 ZINC000453248653 292090141 /nfs/dbraw/zinc/09/01/41/292090141.db2.gz LIKJGQGKQHLCGR-FUHWJXTLSA-N 2 1 286.463 3.265 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916597 397609834 /nfs/dbraw/zinc/60/98/34/397609834.db2.gz QBBHTQAUHHALNK-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000043315844 397616452 /nfs/dbraw/zinc/61/64/52/397616452.db2.gz KXPCYPYCKBTFKC-ROUUACIJSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)[C@H]1CC[NH3+] ZINC000650710941 397898876 /nfs/dbraw/zinc/89/88/76/397898876.db2.gz DGALQOMNFRKOGN-DOMZBBRYSA-N 2 1 298.377 3.237 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1F ZINC000650712196 397899331 /nfs/dbraw/zinc/89/93/31/397899331.db2.gz WAIFVMOKOARTRA-BBRMVZONSA-N 2 1 294.414 3.174 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCC2CCCCC2)C1 ZINC000650724132 397902657 /nfs/dbraw/zinc/90/26/57/397902657.db2.gz YPROEEFAFLLPLA-FGTMMUONSA-N 2 1 294.483 3.318 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC000674876200 543302414 /nfs/dbraw/zinc/30/24/14/543302414.db2.gz HXESBCVIWSJHLF-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000674876200 543302420 /nfs/dbraw/zinc/30/24/20/543302420.db2.gz HXESBCVIWSJHLF-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC000674876200 543302422 /nfs/dbraw/zinc/30/24/22/543302422.db2.gz HXESBCVIWSJHLF-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000675795391 543365572 /nfs/dbraw/zinc/36/55/72/543365572.db2.gz TVWYXXNFMXLDDM-ROUUACIJSA-N 2 1 283.419 3.193 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000677475174 543450777 /nfs/dbraw/zinc/45/07/77/543450777.db2.gz YYZLLPLEYITKCO-IBGZPJMESA-N 2 1 286.463 3.201 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000677984512 543475031 /nfs/dbraw/zinc/47/50/31/543475031.db2.gz LHDDWUORKGRXKP-GOSISDBHSA-N 2 1 298.434 3.498 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678425377 543524629 /nfs/dbraw/zinc/52/46/29/543524629.db2.gz ZMALZPIHCPFBEC-TZMCWYRMSA-N 2 1 286.423 3.190 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C1(CC)CC ZINC000429348686 286282463 /nfs/dbraw/zinc/28/24/63/286282463.db2.gz KWCLDBXYUVPDAW-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C1CCCCC1 ZINC000052335111 286935865 /nfs/dbraw/zinc/93/58/65/286935865.db2.gz SRNNSFGWKBCRQL-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CSCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000075743655 287028014 /nfs/dbraw/zinc/02/80/14/287028014.db2.gz NTGPHWRKJCNUPR-HZPDHXFCSA-N 2 1 284.513 3.326 20 0 CGADMP CSCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000075743655 287028017 /nfs/dbraw/zinc/02/80/17/287028017.db2.gz NTGPHWRKJCNUPR-HZPDHXFCSA-N 2 1 284.513 3.326 20 0 CGADMP CSCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000075743655 287028018 /nfs/dbraw/zinc/02/80/18/287028018.db2.gz NTGPHWRKJCNUPR-HZPDHXFCSA-N 2 1 284.513 3.326 20 0 CGADMP Cc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834450 287029116 /nfs/dbraw/zinc/02/91/16/287029116.db2.gz JAIWOGAJVMLFDS-QGZVFWFLSA-N 2 1 272.436 3.303 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000076001167 287030849 /nfs/dbraw/zinc/03/08/49/287030849.db2.gz YQULQVGAWMCEKN-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000414110706 287050292 /nfs/dbraw/zinc/05/02/92/287050292.db2.gz OLZPIANWKMJYQD-KDEOKCCVSA-N 2 1 264.457 3.274 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000066152391 165035252 /nfs/dbraw/zinc/03/52/52/165035252.db2.gz SAIJWFGJKGNEIL-KRWDZBQOSA-N 2 1 290.451 3.426 20 0 CGADMP CN(C)c1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861283 165106640 /nfs/dbraw/zinc/10/66/40/165106640.db2.gz HVNFOTLGTBYJTC-KRWDZBQOSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861283 165106642 /nfs/dbraw/zinc/10/66/42/165106642.db2.gz HVNFOTLGTBYJTC-KRWDZBQOSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861283 165106647 /nfs/dbraw/zinc/10/66/47/165106647.db2.gz HVNFOTLGTBYJTC-KRWDZBQOSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861283 165106649 /nfs/dbraw/zinc/10/66/49/165106649.db2.gz HVNFOTLGTBYJTC-KRWDZBQOSA-N 2 1 289.467 3.059 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000079344956 165142406 /nfs/dbraw/zinc/14/24/06/165142406.db2.gz GJOZUVNVHPJRTK-INIZCTEOSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)CC1CC[NH2+]CC1 ZINC000094010892 165344033 /nfs/dbraw/zinc/34/40/33/165344033.db2.gz LSNBIXQIFTZRRU-UHFFFAOYSA-N 2 1 287.234 3.425 20 0 CGADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(C2CC2)c1 ZINC000094518621 165353388 /nfs/dbraw/zinc/35/33/88/165353388.db2.gz QKIRQRNQQHKOCM-QZTJIDSGSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc(C2CC2)c1 ZINC000094518621 165353390 /nfs/dbraw/zinc/35/33/90/165353390.db2.gz QKIRQRNQQHKOCM-QZTJIDSGSA-N 2 1 270.420 3.280 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000093094868 287114802 /nfs/dbraw/zinc/11/48/02/287114802.db2.gz YQAYJMGGHMDBQD-NSHDSACASA-N 2 1 272.845 3.221 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000093094868 287114805 /nfs/dbraw/zinc/11/48/05/287114805.db2.gz YQAYJMGGHMDBQD-NSHDSACASA-N 2 1 272.845 3.221 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000092383867 287111466 /nfs/dbraw/zinc/11/14/66/287111466.db2.gz DVCMYRLVFBPCEZ-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CC2CCCCC2)CC1 ZINC000109788074 287129598 /nfs/dbraw/zinc/12/95/98/287129598.db2.gz YFLKLTZITVGUCE-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019943003 170934802 /nfs/dbraw/zinc/93/48/02/170934802.db2.gz IMXGZJBAHWRZTL-AWEZNQCLSA-N 2 1 264.413 3.078 20 0 CGADMP CCOc1ccccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000020547368 171244772 /nfs/dbraw/zinc/24/47/72/171244772.db2.gz CPOUZLYPFSVBEO-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000285719778 196377918 /nfs/dbraw/zinc/37/79/18/196377918.db2.gz QCBZDZPWUCSSHT-DOTOQJQBSA-N 2 1 260.425 3.378 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000040592075 174347943 /nfs/dbraw/zinc/34/79/43/174347943.db2.gz RZTPLXACWULQIW-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000040592075 174347944 /nfs/dbraw/zinc/34/79/44/174347944.db2.gz RZTPLXACWULQIW-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746862 174392107 /nfs/dbraw/zinc/39/21/07/174392107.db2.gz QYZYPIDUJFLIHW-SJPCQFCGSA-N 2 1 258.409 3.018 20 0 CGADMP CC1(C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000044371474 175168144 /nfs/dbraw/zinc/16/81/44/175168144.db2.gz IIPVNDWYJNQNOC-INIZCTEOSA-N 2 1 258.409 3.039 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000070169454 175877041 /nfs/dbraw/zinc/87/70/41/175877041.db2.gz HKKRVSCOCVEFQF-OAHLLOKOSA-N 2 1 268.404 3.401 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000128720789 287316965 /nfs/dbraw/zinc/31/69/65/287316965.db2.gz TZNQIYKWYSNHFS-JJTUDDRGSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000128720789 287316966 /nfs/dbraw/zinc/31/69/66/287316966.db2.gz TZNQIYKWYSNHFS-JJTUDDRGSA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000128909851 287320422 /nfs/dbraw/zinc/32/04/22/287320422.db2.gz BVWAWPQINIMCJP-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CCC[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000050953378 416477951 /nfs/dbraw/zinc/47/79/51/416477951.db2.gz OKCBWEOYDLCONK-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000317090655 416538994 /nfs/dbraw/zinc/53/89/94/416538994.db2.gz APNKPNFENONSPN-MJGOQNOKSA-N 2 1 295.430 3.199 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000317090655 416538999 /nfs/dbraw/zinc/53/89/99/416538999.db2.gz APNKPNFENONSPN-MJGOQNOKSA-N 2 1 295.430 3.199 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000122312749 416503365 /nfs/dbraw/zinc/50/33/65/416503365.db2.gz XMRMEJFTDRKFJN-OCCSQVGLSA-N 2 1 286.341 3.265 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2cc(C)cc(C)c2)CC[C@@H]1[NH3+] ZINC000122746089 416506214 /nfs/dbraw/zinc/50/62/14/416506214.db2.gz AENITTUPISQXLI-AEFFLSMTSA-N 2 1 290.451 3.132 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC000682069795 543819846 /nfs/dbraw/zinc/81/98/46/543819846.db2.gz ADLABSAOMFIACS-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069795 543819847 /nfs/dbraw/zinc/81/98/47/543819847.db2.gz ADLABSAOMFIACS-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069795 543819850 /nfs/dbraw/zinc/81/98/50/543819850.db2.gz ADLABSAOMFIACS-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)CC1 ZINC000683789053 543943184 /nfs/dbraw/zinc/94/31/84/543943184.db2.gz WDNFWZLBAPMVOP-DOTOQJQBSA-N 2 1 258.409 3.090 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683828565 543944869 /nfs/dbraw/zinc/94/48/69/543944869.db2.gz VIPSEDHCXGPUPV-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC000685443788 544071149 /nfs/dbraw/zinc/07/11/49/544071149.db2.gz BHZXPBZYNDYIOF-JKXDFHQYSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000685443788 544071153 /nfs/dbraw/zinc/07/11/53/544071153.db2.gz BHZXPBZYNDYIOF-JKXDFHQYSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000685443788 544071154 /nfs/dbraw/zinc/07/11/54/544071154.db2.gz BHZXPBZYNDYIOF-JKXDFHQYSA-N 2 1 252.446 3.226 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000685455224 544073641 /nfs/dbraw/zinc/07/36/41/544073641.db2.gz LQUIIGFCFIUCBS-WMZOPIPTSA-N 2 1 274.452 3.185 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1CCCc2cccnc21)[NH+]1CCCCC1 ZINC000684961357 544046119 /nfs/dbraw/zinc/04/61/19/544046119.db2.gz IAHGTYZCYRAABI-DOTOQJQBSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)CC[N@H+]1C ZINC000684963144 544047211 /nfs/dbraw/zinc/04/72/11/544047211.db2.gz KVYYHDXCZJUOEA-DOMZBBRYSA-N 2 1 295.858 3.296 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000685662240 544093157 /nfs/dbraw/zinc/09/31/57/544093157.db2.gz WXZGXQQWBYJBDZ-FZCLSBEQSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000685662240 544093159 /nfs/dbraw/zinc/09/31/59/544093159.db2.gz WXZGXQQWBYJBDZ-FZCLSBEQSA-N 2 1 274.452 3.497 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000652238177 418940245 /nfs/dbraw/zinc/94/02/45/418940245.db2.gz WFNLJRTZLASCIU-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659868568 419021938 /nfs/dbraw/zinc/02/19/38/419021938.db2.gz PGSRXEXYUZGJGT-OAGGEKHMSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2)CC[N@H+]1C ZINC000653464650 419030706 /nfs/dbraw/zinc/03/07/06/419030706.db2.gz FVGUYJFOORVPMR-MLGOLLRUSA-N 2 1 255.365 3.129 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659928251 419034968 /nfs/dbraw/zinc/03/49/68/419034968.db2.gz KLODGTFTKPBKOT-IXDOHACOSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659928251 419034971 /nfs/dbraw/zinc/03/49/71/419034971.db2.gz KLODGTFTKPBKOT-IXDOHACOSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCc1cncn1C ZINC000653558694 419047968 /nfs/dbraw/zinc/04/79/68/419047968.db2.gz PEQSBVIWJOGJAT-CYBMUJFWSA-N 2 1 287.382 3.111 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCC(C)(C)C2CC2)CC[N@@H+]1C ZINC000653564874 419049283 /nfs/dbraw/zinc/04/92/83/419049283.db2.gz PUYDGBXXVFROHF-ZFWWWQNUSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCC(C)(C)C2CC2)CC[N@H+]1C ZINC000653564874 419049286 /nfs/dbraw/zinc/04/92/86/419049286.db2.gz PUYDGBXXVFROHF-ZFWWWQNUSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(C)(C)C2CC2)CC[NH+]1C ZINC000653564874 419049290 /nfs/dbraw/zinc/04/92/90/419049290.db2.gz PUYDGBXXVFROHF-ZFWWWQNUSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C2CC2)CC[NH+]1C ZINC000653564874 419049294 /nfs/dbraw/zinc/04/92/94/419049294.db2.gz PUYDGBXXVFROHF-ZFWWWQNUSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664820832 419009703 /nfs/dbraw/zinc/00/97/03/419009703.db2.gz BCJIWTZRCFVRIR-KRWDZBQOSA-N 2 1 298.434 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664820832 419009707 /nfs/dbraw/zinc/00/97/07/419009707.db2.gz BCJIWTZRCFVRIR-KRWDZBQOSA-N 2 1 298.434 3.450 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655757537 419089633 /nfs/dbraw/zinc/08/96/33/419089633.db2.gz IAHDTKVEQPEFHP-SOLBZPMBSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000655773024 419093563 /nfs/dbraw/zinc/09/35/63/419093563.db2.gz VZYGLRJPLRVNHD-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655773915 419095219 /nfs/dbraw/zinc/09/52/19/419095219.db2.gz KSKQJDZEBHCFQG-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000665278579 419099533 /nfs/dbraw/zinc/09/95/33/419099533.db2.gz IWXCIKJNARRJGW-NRAUKZCXSA-N 2 1 278.827 3.379 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278465 419100392 /nfs/dbraw/zinc/10/03/92/419100392.db2.gz FXFCDUUZHDVEGE-HQVVEAJESA-N 2 1 270.420 3.022 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2sccc21 ZINC000665280344 419101180 /nfs/dbraw/zinc/10/11/80/419101180.db2.gz ZGXCIGGGAGNWQD-NYXKVOKKSA-N 2 1 262.422 3.028 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccccc1Br ZINC000665280218 419101704 /nfs/dbraw/zinc/10/17/04/419101704.db2.gz WDBKWKVRBKRFQH-SMDDNHRTSA-N 2 1 299.256 3.473 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000665297865 419110911 /nfs/dbraw/zinc/11/09/11/419110911.db2.gz NFAOMQZWSQRJKZ-CORIIIEPSA-N 2 1 266.816 3.174 20 0 CGADMP CSc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659983754 419055158 /nfs/dbraw/zinc/05/51/58/419055158.db2.gz UVJCXLYRKPZLHO-HIFRSBDPSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659983754 419055159 /nfs/dbraw/zinc/05/51/59/419055159.db2.gz UVJCXLYRKPZLHO-HIFRSBDPSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000659983754 419055162 /nfs/dbraw/zinc/05/51/62/419055162.db2.gz UVJCXLYRKPZLHO-HIFRSBDPSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000659983754 419055163 /nfs/dbraw/zinc/05/51/63/419055163.db2.gz UVJCXLYRKPZLHO-HIFRSBDPSA-N 2 1 278.465 3.323 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659989738 419057310 /nfs/dbraw/zinc/05/73/10/419057310.db2.gz SDAFMHQWVMZTJC-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659989738 419057313 /nfs/dbraw/zinc/05/73/13/419057313.db2.gz SDAFMHQWVMZTJC-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000660116755 419080655 /nfs/dbraw/zinc/08/06/55/419080655.db2.gz KQNPZVBOBATWKX-IAGOWNOFSA-N 2 1 269.392 3.070 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000660116755 419080660 /nfs/dbraw/zinc/08/06/60/419080660.db2.gz KQNPZVBOBATWKX-IAGOWNOFSA-N 2 1 269.392 3.070 20 0 CGADMP C[C@H](c1nc2ccccc2o1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661079 419175920 /nfs/dbraw/zinc/17/59/20/419175920.db2.gz BPXXZGZXYVNDDF-KDOFPFPSSA-N 2 1 299.418 3.307 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC000660662379 419179311 /nfs/dbraw/zinc/17/93/11/419179311.db2.gz JKEFJPVZYAEYAP-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC000660662379 419179314 /nfs/dbraw/zinc/17/93/14/419179314.db2.gz JKEFJPVZYAEYAP-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC000660662379 419179316 /nfs/dbraw/zinc/17/93/16/419179316.db2.gz JKEFJPVZYAEYAP-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1cccc(F)c1)C2 ZINC000660662010 419179520 /nfs/dbraw/zinc/17/95/20/419179520.db2.gz GVDZEDINLVAJQM-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCc1cccc(F)c1)C2 ZINC000660662010 419179522 /nfs/dbraw/zinc/17/95/22/419179522.db2.gz GVDZEDINLVAJQM-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCc1cccc(F)c1)C2 ZINC000660662010 419179524 /nfs/dbraw/zinc/17/95/24/419179524.db2.gz GVDZEDINLVAJQM-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP CC(C)Oc1ccccc1[C@H](C)NCc1cnc2n1CCC2 ZINC000657314489 419248201 /nfs/dbraw/zinc/24/82/01/419248201.db2.gz WOAMBZANRGHFNR-AWEZNQCLSA-N 2 1 299.418 3.467 20 0 CGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656692173 419203633 /nfs/dbraw/zinc/20/36/33/419203633.db2.gz LPWNHOYPCZXUIP-CRAIPNDOSA-N 2 1 292.467 3.162 20 0 CGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000656692173 419203637 /nfs/dbraw/zinc/20/36/37/419203637.db2.gz LPWNHOYPCZXUIP-CRAIPNDOSA-N 2 1 292.467 3.162 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccn1 ZINC000656782344 419218555 /nfs/dbraw/zinc/21/85/55/419218555.db2.gz FGZYJQNBUWDVCY-AYBZRNKSSA-N 2 1 295.430 3.268 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783811 419218605 /nfs/dbraw/zinc/21/86/05/419218605.db2.gz AFGRAHSTAAVTON-KRWDZBQOSA-N 2 1 290.426 3.346 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(C2CCCC2)c1)C1CC1 ZINC000656787245 419219734 /nfs/dbraw/zinc/21/97/34/419219734.db2.gz VDNROTZBCBMOHE-QGZVFWFLSA-N 2 1 258.409 3.171 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc2ccncc2s1)C1CC1 ZINC000657487594 419291765 /nfs/dbraw/zinc/29/17/65/419291765.db2.gz KTSYOJKCINUWLL-UHFFFAOYSA-N 2 1 289.448 3.260 20 0 CGADMP CC(C)Oc1ccccc1CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657522317 419297072 /nfs/dbraw/zinc/29/70/72/419297072.db2.gz CXJKLTDGOGWNIB-INIZCTEOSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)Oc1ccccc1CNC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657522317 419297074 /nfs/dbraw/zinc/29/70/74/419297074.db2.gz CXJKLTDGOGWNIB-INIZCTEOSA-N 2 1 290.451 3.436 20 0 CGADMP C[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000657590232 419311524 /nfs/dbraw/zinc/31/15/24/419311524.db2.gz YHGDYALTTMLQLS-BIVLZKPYSA-N 2 1 264.457 3.275 20 0 CGADMP CC1(C)C[C@]1(C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657761852 419338919 /nfs/dbraw/zinc/33/89/19/419338919.db2.gz SMBIOYLMYJQHEK-IBGZPJMESA-N 2 1 286.463 3.472 20 0 CGADMP Cc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000657797286 419359008 /nfs/dbraw/zinc/35/90/08/419359008.db2.gz KMJPVXIDYOSSCC-QGZVFWFLSA-N 2 1 258.409 3.056 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000662320248 419389318 /nfs/dbraw/zinc/38/93/18/419389318.db2.gz SFMUZOOABKWUTL-VHRNVKJDSA-N 2 1 250.430 3.029 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1F ZINC000662313151 419389662 /nfs/dbraw/zinc/38/96/62/419389662.db2.gz KIXFNFOVZJGOIQ-CZUORRHYSA-N 2 1 294.414 3.174 20 0 CGADMP CO[C@@H](C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662316574 419390225 /nfs/dbraw/zinc/39/02/25/419390225.db2.gz VVHMFYTZVJODRA-NXHRZFHOSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662322764 419392529 /nfs/dbraw/zinc/39/25/29/419392529.db2.gz XMUGCKUJUXPBRX-AEFFLSMTSA-N 2 1 290.451 3.099 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657824835 419374747 /nfs/dbraw/zinc/37/47/47/419374747.db2.gz WAJPPNXUAWTUPQ-CYBMUJFWSA-N 2 1 287.407 3.353 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000662266997 419375341 /nfs/dbraw/zinc/37/53/41/419375341.db2.gz PJZWYZCEWKWHHO-QWHCGFSZSA-N 2 1 262.388 3.132 20 0 CGADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662275474 419382505 /nfs/dbraw/zinc/38/25/05/419382505.db2.gz CZQWPRVFMYXJSQ-RCCFBDPRSA-N 2 1 294.483 3.046 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662274679 419382731 /nfs/dbraw/zinc/38/27/31/419382731.db2.gz WBQCJVPUBXZHDE-DLBZAZTESA-N 2 1 264.457 3.278 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293689 419384348 /nfs/dbraw/zinc/38/43/48/419384348.db2.gz MCMROGZHTNHISF-UKRRQHHQSA-N 2 1 288.426 3.379 20 0 CGADMP [NH3+]CC12CC(C1)C[N@@H+]2C1c2ccccc2-c2ccccc21 ZINC000662306748 419387469 /nfs/dbraw/zinc/38/74/69/419387469.db2.gz STSYLUFHNTVQSJ-UHFFFAOYSA-N 2 1 276.383 3.180 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2C1c2ccccc2-c2ccccc21 ZINC000662306748 419387475 /nfs/dbraw/zinc/38/74/75/419387475.db2.gz STSYLUFHNTVQSJ-UHFFFAOYSA-N 2 1 276.383 3.180 20 0 CGADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345245 419568122 /nfs/dbraw/zinc/56/81/22/419568122.db2.gz HGNLBWZTNIOKQI-HOCLYGCPSA-N 2 1 252.446 3.133 20 0 CGADMP COc1cccc(C2([NH2+]C[C@H]([NH3+])CC(C)C)CCC2)c1 ZINC000663502158 419634779 /nfs/dbraw/zinc/63/47/79/419634779.db2.gz CUEMKXLCSOYFFG-OAHLLOKOSA-N 2 1 276.424 3.037 20 0 CGADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497341 419635077 /nfs/dbraw/zinc/63/50/77/419635077.db2.gz FBCBXZHDTGAZCR-NLTNOIMHSA-N 2 1 299.245 3.266 20 0 CGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347475 419570536 /nfs/dbraw/zinc/57/05/36/419570536.db2.gz LWNYKHDMQNAWGU-INIZCTEOSA-N 2 1 276.399 3.037 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663470169 419624877 /nfs/dbraw/zinc/62/48/77/419624877.db2.gz SQVJZWCAMZHCOQ-DOTOQJQBSA-N 2 1 272.436 3.459 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCC1 ZINC000658226663 419684396 /nfs/dbraw/zinc/68/43/96/419684396.db2.gz LQHHPXPMUYTYKB-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCC1 ZINC000658226663 419684401 /nfs/dbraw/zinc/68/44/01/419684401.db2.gz LQHHPXPMUYTYKB-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC000658229357 419688555 /nfs/dbraw/zinc/68/85/55/419688555.db2.gz QVLIEKOXSRRXHS-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC000658229357 419688562 /nfs/dbraw/zinc/68/85/62/419688562.db2.gz QVLIEKOXSRRXHS-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP C1C[N@@H+](C2CCCCC2)C[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000658230373 419690352 /nfs/dbraw/zinc/69/03/52/419690352.db2.gz MQYDVYIWVLDAGB-LSDHHAIUSA-N 2 1 282.497 3.269 20 0 CGADMP C1C[N@H+](C2CCCCC2)C[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000658230373 419690365 /nfs/dbraw/zinc/69/03/65/419690365.db2.gz MQYDVYIWVLDAGB-LSDHHAIUSA-N 2 1 282.497 3.269 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NCC[C@H](C)[NH+](C)C)[nH+]1 ZINC000664246857 419864239 /nfs/dbraw/zinc/86/42/39/419864239.db2.gz ZBSYLTJZRQZKQA-JTQLQIEISA-N 2 1 275.318 3.161 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322950286 260030869 /nfs/dbraw/zinc/03/08/69/260030869.db2.gz SMWXGYQRHOXDQF-YRUAKLFHSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297544403 274208568 /nfs/dbraw/zinc/20/85/68/274208568.db2.gz FETPRIUUBJWRFW-AAEUAGOBSA-N 2 1 281.831 3.042 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000189294722 264287200 /nfs/dbraw/zinc/28/72/00/264287200.db2.gz ABNRGZWAHOTICI-INIZCTEOSA-N 2 1 297.446 3.437 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000040598506 270029695 /nfs/dbraw/zinc/02/96/95/270029695.db2.gz VQANBJRNLKKGFC-QGZVFWFLSA-N 2 1 290.451 3.004 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000041721111 270031276 /nfs/dbraw/zinc/03/12/76/270031276.db2.gz YYLFINOTFBDIQM-AWEZNQCLSA-N 2 1 269.392 3.377 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000044535877 270036319 /nfs/dbraw/zinc/03/63/19/270036319.db2.gz JBGGWEKDVUBYSO-ZDUSSCGKSA-N 2 1 286.341 3.137 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044532578 270036417 /nfs/dbraw/zinc/03/64/17/270036417.db2.gz DJSRGTOUZVJHBT-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044532572 270036426 /nfs/dbraw/zinc/03/64/26/270036426.db2.gz DJSRGTOUZVJHBT-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534742 270036820 /nfs/dbraw/zinc/03/68/20/270036820.db2.gz RPTCTXBJJKLELU-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250402886 270091450 /nfs/dbraw/zinc/09/14/50/270091450.db2.gz ZGZAPMHKCANJCD-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322612877 270093837 /nfs/dbraw/zinc/09/38/37/270093837.db2.gz PEKZJDYVXJUVHE-QOHDQGNBSA-N 2 1 262.441 3.194 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCCC12CCCC2 ZINC000328313308 270095212 /nfs/dbraw/zinc/09/52/12/270095212.db2.gz XIKFJUFXUHKGAV-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CCS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459447947 270096350 /nfs/dbraw/zinc/09/63/50/270096350.db2.gz VPCSOKMNKORQGQ-GDBMZVCRSA-N 2 1 282.497 3.267 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000526106455 270123088 /nfs/dbraw/zinc/12/30/88/270123088.db2.gz WGVLJOJBQJGDKD-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnc(C)c2)c1 ZINC000527653437 270130986 /nfs/dbraw/zinc/13/09/86/270130986.db2.gz KLULLWXSGGURHR-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527652636 270131078 /nfs/dbraw/zinc/13/10/78/270131078.db2.gz GJPHTRDGVRIOKY-OTRWWLKZSA-N 2 1 264.457 3.131 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527861561 270140319 /nfs/dbraw/zinc/14/03/19/270140319.db2.gz LWOZIPVJSSSWAW-MEDUHNTESA-N 2 1 296.817 3.398 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530354800 270199136 /nfs/dbraw/zinc/19/91/36/270199136.db2.gz CGVGETJDYYXURA-ZWKOTPCHSA-N 2 1 283.419 3.197 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000531682952 270208549 /nfs/dbraw/zinc/20/85/49/270208549.db2.gz WHCDOLIBAIEVNM-SJLPKXTDSA-N 2 1 296.499 3.293 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532214992 270214470 /nfs/dbraw/zinc/21/44/70/270214470.db2.gz UUIIHEVEKQWWMF-FPCVCCKLSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532214992 270214471 /nfs/dbraw/zinc/21/44/71/270214471.db2.gz UUIIHEVEKQWWMF-FPCVCCKLSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccccc1C(F)(F)F ZINC000415086178 273517363 /nfs/dbraw/zinc/51/73/63/273517363.db2.gz RIUCKCLUHAAKDW-GFCCVEGCSA-N 2 1 274.330 3.168 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423200942 273960523 /nfs/dbraw/zinc/96/05/23/273960523.db2.gz NNZYCYPMBHCLLR-CYBMUJFWSA-N 2 1 260.381 3.310 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000360037657 274022662 /nfs/dbraw/zinc/02/26/62/274022662.db2.gz KWFGDGOGYGHCQJ-CRAIPNDOSA-N 2 1 290.451 3.183 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CC1CC[NH2+]CC1)[C@@H]2C ZINC000261829493 274126712 /nfs/dbraw/zinc/12/67/12/274126712.db2.gz IXTUTAXCOJCNRK-UONOGXRCSA-N 2 1 288.435 3.002 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000269035099 274209083 /nfs/dbraw/zinc/20/90/83/274209083.db2.gz SKEKEDXPMLQLLV-FZMZJTMJSA-N 2 1 282.428 3.292 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423406589 274217030 /nfs/dbraw/zinc/21/70/30/274217030.db2.gz UWOSEYZZUSOWJV-LNSITVRQSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)CC[NH2+]1 ZINC000335537760 274391680 /nfs/dbraw/zinc/39/16/80/274391680.db2.gz DDDGMVQTJGGGCO-KGLIPLIRSA-N 2 1 278.399 3.487 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c2ccccc2O1 ZINC000296402123 274394241 /nfs/dbraw/zinc/39/42/41/274394241.db2.gz KODJVAPWTAZAFC-AEKWLRTRSA-N 2 1 288.435 3.217 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c2ccccc2O1 ZINC000296402123 274394243 /nfs/dbraw/zinc/39/42/43/274394243.db2.gz KODJVAPWTAZAFC-AEKWLRTRSA-N 2 1 288.435 3.217 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C)CC1)CC3 ZINC000156241533 274765533 /nfs/dbraw/zinc/76/55/33/274765533.db2.gz BFPURIQFVNUYFK-HNNXBMFYSA-N 2 1 297.446 3.017 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000354614855 274913687 /nfs/dbraw/zinc/91/36/87/274913687.db2.gz BJRGGRMYWWUYMN-HNNXBMFYSA-N 2 1 299.393 3.439 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996718 275069386 /nfs/dbraw/zinc/06/93/86/275069386.db2.gz LDQAOGASGCEPME-RCCFBDPRSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996718 275069387 /nfs/dbraw/zinc/06/93/87/275069387.db2.gz LDQAOGASGCEPME-RCCFBDPRSA-N 2 1 270.420 3.280 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423490752 275874280 /nfs/dbraw/zinc/87/42/80/275874280.db2.gz ZBYLXSIODVOSOE-CYBMUJFWSA-N 2 1 276.415 3.282 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422693244 276019109 /nfs/dbraw/zinc/01/91/09/276019109.db2.gz LOOUJORRJJNWHX-MSOLQXFVSA-N 2 1 290.451 3.363 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000284399151 276225026 /nfs/dbraw/zinc/22/50/26/276225026.db2.gz NGJLMZFLVBFDIU-RYQLBKOJSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000284399151 276225027 /nfs/dbraw/zinc/22/50/27/276225027.db2.gz NGJLMZFLVBFDIU-RYQLBKOJSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000284399151 276225028 /nfs/dbraw/zinc/22/50/28/276225028.db2.gz NGJLMZFLVBFDIU-RYQLBKOJSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414959636 276270616 /nfs/dbraw/zinc/27/06/16/276270616.db2.gz PZUOUKYYJGYOTP-VXGBXAGGSA-N 2 1 288.357 3.397 20 0 CGADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000414188631 276271774 /nfs/dbraw/zinc/27/17/74/276271774.db2.gz QMLZXPVWSFPTNN-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414179937 276286797 /nfs/dbraw/zinc/28/67/97/276286797.db2.gz KZMLLZAGXIWXMX-RDJZCZTQSA-N 2 1 275.440 3.244 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000129790386 277031252 /nfs/dbraw/zinc/03/12/52/277031252.db2.gz XOYXBYKMYDPMAW-OAHLLOKOSA-N 2 1 264.800 3.011 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)cs2)CC1 ZINC000425970416 277038406 /nfs/dbraw/zinc/03/84/06/277038406.db2.gz FQAMBADQVGWJCU-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)cs2)CC1 ZINC000425970416 277038407 /nfs/dbraw/zinc/03/84/07/277038407.db2.gz FQAMBADQVGWJCU-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000421820198 277190660 /nfs/dbraw/zinc/19/06/60/277190660.db2.gz LFLUGRNIPYMNIL-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219685724 277275606 /nfs/dbraw/zinc/27/56/06/277275606.db2.gz WKGWSKPBCJWTQP-INIZCTEOSA-N 2 1 260.425 3.043 20 0 CGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](C)C[NH+]3CCCCCC3)C[C@H]2C1 ZINC000424286305 277351803 /nfs/dbraw/zinc/35/18/03/277351803.db2.gz VUBJVEFYSSCJTL-IECFSIQFSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337363315 277396965 /nfs/dbraw/zinc/39/69/65/277396965.db2.gz AHQCAZJZXZQVQP-HZPDHXFCSA-N 2 1 264.457 3.277 20 0 CGADMP COc1cccc(C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c2ccccc2)c1 ZINC000423440929 278014708 /nfs/dbraw/zinc/01/47/08/278014708.db2.gz ISNLNBIALRFUGC-KHYOSLBOSA-N 2 1 298.430 3.304 20 0 CGADMP COc1cccc2c(NCC[N@H+](C)C(C)C)cc(C)[nH+]c12 ZINC000301660744 278025537 /nfs/dbraw/zinc/02/55/37/278025537.db2.gz JLBJQGVNDWAFCY-UHFFFAOYSA-N 2 1 287.407 3.304 20 0 CGADMP COc1cccc2c(NCC[N@@H+](C)C(C)C)cc(C)[nH+]c12 ZINC000301660744 278025539 /nfs/dbraw/zinc/02/55/39/278025539.db2.gz JLBJQGVNDWAFCY-UHFFFAOYSA-N 2 1 287.407 3.304 20 0 CGADMP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340517759 278232073 /nfs/dbraw/zinc/23/20/73/278232073.db2.gz GFOCYRIPDZMYTA-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC1(C)C ZINC000397571136 288024232 /nfs/dbraw/zinc/02/42/32/288024232.db2.gz DVVAAYKYNYHNFZ-GJZGRUSLSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCC(F)(F)CC1 ZINC000353279218 278256249 /nfs/dbraw/zinc/25/62/49/278256249.db2.gz QXPLVLJQHGDFQX-LBPRGKRZSA-N 2 1 272.383 3.052 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449251729 278256287 /nfs/dbraw/zinc/25/62/87/278256287.db2.gz OUIQAMCBQIQQIA-IJEWVQPXSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000353254647 278273636 /nfs/dbraw/zinc/27/36/36/278273636.db2.gz WUWXFXDLPMAQFR-MBNYWOFBSA-N 2 1 274.399 3.273 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000353254647 278273637 /nfs/dbraw/zinc/27/36/37/278273637.db2.gz WUWXFXDLPMAQFR-MBNYWOFBSA-N 2 1 274.399 3.273 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCC(F)(F)CC1 ZINC000423506726 278279265 /nfs/dbraw/zinc/27/92/65/278279265.db2.gz PGYPWOWTMUQPFP-SMDDNHRTSA-N 2 1 274.399 3.308 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415103953 278297926 /nfs/dbraw/zinc/29/79/26/278297926.db2.gz DGRKJXYUZFKLOA-YCPHGPKFSA-N 2 1 278.415 3.077 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449081817 278342176 /nfs/dbraw/zinc/34/21/76/278342176.db2.gz IEZSYYLRTBODLI-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)s1 ZINC000361084685 278376208 /nfs/dbraw/zinc/37/62/08/278376208.db2.gz LVRONCLWDDOKQV-NXEZZACHSA-N 2 1 281.812 3.264 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000459404062 288089768 /nfs/dbraw/zinc/08/97/68/288089768.db2.gz CKFCMCHYFDBPSQ-YCPHGPKFSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000459404060 288089804 /nfs/dbraw/zinc/08/98/04/288089804.db2.gz CKFCMCHYFDBPSQ-IIAWOOMASA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449383660 278982386 /nfs/dbraw/zinc/98/23/86/278982386.db2.gz JAFXJGAXEVIMHI-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000423347138 279002498 /nfs/dbraw/zinc/00/24/98/279002498.db2.gz QSYRGKQOHUKLOM-IAGOWNOFSA-N 2 1 275.440 3.148 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248882750 279040237 /nfs/dbraw/zinc/04/02/37/279040237.db2.gz XFGKRENYYVBPRP-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248882750 279040239 /nfs/dbraw/zinc/04/02/39/279040239.db2.gz XFGKRENYYVBPRP-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248882750 279040240 /nfs/dbraw/zinc/04/02/40/279040240.db2.gz XFGKRENYYVBPRP-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@H](F)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459476766 288093685 /nfs/dbraw/zinc/09/36/85/288093685.db2.gz GSDSCJOKMIDIRE-AWEZNQCLSA-N 2 1 287.382 3.105 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459745898 288100921 /nfs/dbraw/zinc/10/09/21/288100921.db2.gz YTEJAHZTWBHAAF-QCUIPMNBSA-N 2 1 272.436 3.411 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131548477 288152684 /nfs/dbraw/zinc/15/26/84/288152684.db2.gz SEBPWTQTJNZIMN-SLEUVZQESA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057665 288154426 /nfs/dbraw/zinc/15/44/26/288154426.db2.gz HRFNLPXYQSZLLR-BLLLJJGKSA-N 2 1 282.378 3.477 20 0 CGADMP C/C(Cl)=C\C[N@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000528460059 288201680 /nfs/dbraw/zinc/20/16/80/288201680.db2.gz QMUSDJPEMLEHIO-GMMCIKNFSA-N 2 1 293.842 3.460 20 0 CGADMP C/C(Cl)=C\C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000528460059 288201681 /nfs/dbraw/zinc/20/16/81/288201681.db2.gz QMUSDJPEMLEHIO-GMMCIKNFSA-N 2 1 293.842 3.460 20 0 CGADMP CC[C@@H](C[NH2+][C@@H]1CCC[C@@H](CC)C1)[NH+]1CCCC1 ZINC000462679897 280145954 /nfs/dbraw/zinc/14/59/54/280145954.db2.gz LRSFKCPJKIHQFS-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cc2ccccc2o1 ZINC000423452454 280332369 /nfs/dbraw/zinc/33/23/69/280332369.db2.gz WJMHSFHWKMENQK-MKBNYLNASA-N 2 1 260.381 3.455 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537786 288260131 /nfs/dbraw/zinc/26/01/31/288260131.db2.gz VIZWWWARSOCHPS-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537786 288260135 /nfs/dbraw/zinc/26/01/35/288260135.db2.gz VIZWWWARSOCHPS-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537786 288260136 /nfs/dbraw/zinc/26/01/36/288260136.db2.gz VIZWWWARSOCHPS-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537787 288260241 /nfs/dbraw/zinc/26/02/41/288260241.db2.gz VIZWWWARSOCHPS-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537787 288260245 /nfs/dbraw/zinc/26/02/45/288260245.db2.gz VIZWWWARSOCHPS-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537787 288260248 /nfs/dbraw/zinc/26/02/48/288260248.db2.gz VIZWWWARSOCHPS-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000530206607 288299720 /nfs/dbraw/zinc/29/97/20/288299720.db2.gz MCRWOXSLQWVQRJ-KRWDZBQOSA-N 2 1 290.426 3.393 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CCC2 ZINC000423137629 281125047 /nfs/dbraw/zinc/12/50/47/281125047.db2.gz WNNRAAVPWPFUFD-KBRIMQKVSA-N 2 1 258.409 3.103 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@@H](c4[nH+]ccn4C)C3)c2c1 ZINC000354564602 281170257 /nfs/dbraw/zinc/17/02/57/281170257.db2.gz ANXYGZCUBDDNLE-CQSZACIVSA-N 2 1 292.386 3.271 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407417 288305195 /nfs/dbraw/zinc/30/51/95/288305195.db2.gz GILCMGXVOPNBKY-KBPBESRZSA-N 2 1 251.418 3.013 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000530410805 288305595 /nfs/dbraw/zinc/30/55/95/288305595.db2.gz MJIPOJSTTPPUBP-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000530410805 288305597 /nfs/dbraw/zinc/30/55/97/288305597.db2.gz MJIPOJSTTPPUBP-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000530410805 288305598 /nfs/dbraw/zinc/30/55/98/288305598.db2.gz MJIPOJSTTPPUBP-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278917816 281509514 /nfs/dbraw/zinc/50/95/14/281509514.db2.gz HLCWXPVVDMRQSR-QWHCGFSZSA-N 2 1 275.421 3.166 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000531994153 288348743 /nfs/dbraw/zinc/34/87/43/288348743.db2.gz SFTVFZNKYJIVMN-ZOFXXKQRSA-N 2 1 296.499 3.289 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000533106263 288373672 /nfs/dbraw/zinc/37/36/72/288373672.db2.gz CBIBECFVIXHOST-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000552062650 289157511 /nfs/dbraw/zinc/15/75/11/289157511.db2.gz BSIVTDUEMYRWLK-OAGGEKHMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@]1(C[N@H+]2CCCC3(CCCCC3)C2)CC[NH2+]C1 ZINC000262107528 289163788 /nfs/dbraw/zinc/16/37/88/289163788.db2.gz WBKBZIOFIFCABS-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000554113029 289260354 /nfs/dbraw/zinc/26/03/54/289260354.db2.gz QWUFDXDSZPYYEE-QXRTWZOPSA-N 2 1 276.468 3.418 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000554349828 289273403 /nfs/dbraw/zinc/27/34/03/289273403.db2.gz PYCMGRDPXKCUBG-MJGOQNOKSA-N 2 1 286.463 3.472 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000554850420 289313333 /nfs/dbraw/zinc/31/33/33/289313333.db2.gz LTXHNKQAGOQCKY-GFCCVEGCSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000554850420 289313336 /nfs/dbraw/zinc/31/33/36/289313336.db2.gz LTXHNKQAGOQCKY-GFCCVEGCSA-N 2 1 280.378 3.381 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000556259603 289382548 /nfs/dbraw/zinc/38/25/48/289382548.db2.gz GZPFJWQRGGOPAN-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2n[nH]cc2c1 ZINC000423104977 290030241 /nfs/dbraw/zinc/03/02/41/290030241.db2.gz HVRLQSXREWQEFN-LIXBPZJASA-N 2 1 292.386 3.358 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252774300 290245083 /nfs/dbraw/zinc/24/50/83/290245083.db2.gz JQWQPTAFXDZHDK-LOWVWBTDSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252774300 290245086 /nfs/dbraw/zinc/24/50/86/290245086.db2.gz JQWQPTAFXDZHDK-LOWVWBTDSA-N 2 1 297.240 3.179 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000361766499 294334547 /nfs/dbraw/zinc/33/45/47/294334547.db2.gz SZQZXNWUDLMIPU-DSJMHWKBSA-N 2 1 296.480 3.144 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361766499 294334553 /nfs/dbraw/zinc/33/45/53/294334553.db2.gz SZQZXNWUDLMIPU-DSJMHWKBSA-N 2 1 296.480 3.144 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)c1 ZINC000423495908 295209071 /nfs/dbraw/zinc/20/90/71/295209071.db2.gz DDFQTEAMOJTZPS-DYVFJYSZSA-N 2 1 276.424 3.172 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783466 298378752 /nfs/dbraw/zinc/37/87/52/298378752.db2.gz PGVFJLSTGMJPGD-LLVKDONJSA-N 2 1 266.351 3.181 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783466 298378756 /nfs/dbraw/zinc/37/87/56/298378756.db2.gz PGVFJLSTGMJPGD-LLVKDONJSA-N 2 1 266.351 3.181 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000286087449 302281412 /nfs/dbraw/zinc/28/14/12/302281412.db2.gz LXFAXXHFYSJTCD-JKSUJKDBSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000564728898 322040658 /nfs/dbraw/zinc/04/06/58/322040658.db2.gz KWJAAUAEOQECAH-RBUKOAKNSA-N 2 1 286.463 3.249 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000566037142 322101397 /nfs/dbraw/zinc/10/13/97/322101397.db2.gz LQLMLNXGRDELDT-ZWKOTPCHSA-N 2 1 274.452 3.454 20 0 CGADMP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000566793492 322138270 /nfs/dbraw/zinc/13/82/70/322138270.db2.gz MAISMYIIGLTPOW-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000566793492 322138271 /nfs/dbraw/zinc/13/82/71/322138271.db2.gz MAISMYIIGLTPOW-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000567528597 322166814 /nfs/dbraw/zinc/16/68/14/322166814.db2.gz GSPKDTNKZDKGRN-USXIJHARSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000567528597 322166817 /nfs/dbraw/zinc/16/68/17/322166817.db2.gz GSPKDTNKZDKGRN-USXIJHARSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000567528597 322166819 /nfs/dbraw/zinc/16/68/19/322166819.db2.gz GSPKDTNKZDKGRN-USXIJHARSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000567528596 322166887 /nfs/dbraw/zinc/16/68/87/322166887.db2.gz GSPKDTNKZDKGRN-UAGQMJEPSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000567528596 322166888 /nfs/dbraw/zinc/16/68/88/322166888.db2.gz GSPKDTNKZDKGRN-UAGQMJEPSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000567528596 322166890 /nfs/dbraw/zinc/16/68/90/322166890.db2.gz GSPKDTNKZDKGRN-UAGQMJEPSA-N 2 1 264.457 3.252 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(Cl)c1 ZINC000568632348 322216423 /nfs/dbraw/zinc/21/64/23/322216423.db2.gz PHLIFSNLCMEFRQ-UWVGGRQHSA-N 2 1 258.768 3.003 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000569469091 322248043 /nfs/dbraw/zinc/24/80/43/322248043.db2.gz MWZHWJHHDSDGHT-ZBFHGGJFSA-N 2 1 263.429 3.301 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000569674031 322253777 /nfs/dbraw/zinc/25/37/77/322253777.db2.gz HWUPMNJFOGNWBB-OAHLLOKOSA-N 2 1 288.426 3.474 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3sc(Cl)cc3C2)CC[NH2+]1 ZINC000570163016 322266473 /nfs/dbraw/zinc/26/64/73/322266473.db2.gz YGZZCJTYYCYGSS-GHMZBOCLSA-N 2 1 284.856 3.148 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000570972510 322286824 /nfs/dbraw/zinc/28/68/24/322286824.db2.gz FLJWOOMMLLYFSW-KRWDZBQOSA-N 2 1 290.451 3.166 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000571216227 322293193 /nfs/dbraw/zinc/29/31/93/322293193.db2.gz DQAHHDPQABLVJI-ARFHVFGLSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000571216227 322293195 /nfs/dbraw/zinc/29/31/95/322293195.db2.gz DQAHHDPQABLVJI-ARFHVFGLSA-N 2 1 252.446 3.297 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000571257438 322294298 /nfs/dbraw/zinc/29/42/98/322294298.db2.gz MEGNANVTMIBLND-KURKYZTESA-N 2 1 290.426 3.379 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000571257440 322294324 /nfs/dbraw/zinc/29/43/24/322294324.db2.gz MEGNANVTMIBLND-RCCFBDPRSA-N 2 1 290.426 3.379 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000571573592 322302178 /nfs/dbraw/zinc/30/21/78/322302178.db2.gz WGVYBIUKUCOMRR-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000571573592 322302179 /nfs/dbraw/zinc/30/21/79/322302179.db2.gz WGVYBIUKUCOMRR-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000572653055 322348607 /nfs/dbraw/zinc/34/86/07/322348607.db2.gz ZXRVOXCBVUMUSU-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000572653055 322348610 /nfs/dbraw/zinc/34/86/10/322348610.db2.gz ZXRVOXCBVUMUSU-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000572658835 322349054 /nfs/dbraw/zinc/34/90/54/322349054.db2.gz TVRCBDCGKSEJED-KSSFIOAISA-N 2 1 281.403 3.060 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000573817265 322408708 /nfs/dbraw/zinc/40/87/08/322408708.db2.gz POHNPCZMCNONPK-BWTSREIZSA-N 2 1 284.447 3.082 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000576527336 335215589 /nfs/dbraw/zinc/21/55/89/335215589.db2.gz XSTYDOCCDGJWKS-DDBAPUKQSA-N 2 1 272.436 3.308 20 0 CGADMP c1sc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1-c1ccccc1 ZINC000576755327 335243869 /nfs/dbraw/zinc/24/38/69/335243869.db2.gz IRIWZBXSLOBPJQ-RDJZCZTQSA-N 2 1 298.455 3.456 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOCC2CCCC2)CC1 ZINC000577070258 335295164 /nfs/dbraw/zinc/29/51/64/335295164.db2.gz SUFPDNJEOJMJMP-UHFFFAOYSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)C(C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)C ZINC000577147029 335308739 /nfs/dbraw/zinc/30/87/39/335308739.db2.gz WYOZUSYXEQULHX-XYPWUTKMSA-N 2 1 266.473 3.472 20 0 CGADMP CC(C)C(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000577147029 335308741 /nfs/dbraw/zinc/30/87/41/335308741.db2.gz WYOZUSYXEQULHX-XYPWUTKMSA-N 2 1 266.473 3.472 20 0 CGADMP CC(C)C(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000577147029 335308743 /nfs/dbraw/zinc/30/87/43/335308743.db2.gz WYOZUSYXEQULHX-XYPWUTKMSA-N 2 1 266.473 3.472 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCCC12CC2)[NH+]1CCCC1 ZINC000581141813 336015004 /nfs/dbraw/zinc/01/50/04/336015004.db2.gz AXWCRARNDCTYAS-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381676436 336070696 /nfs/dbraw/zinc/07/06/96/336070696.db2.gz AIPZAXQWJKVLOO-YUELXQCFSA-N 2 1 278.827 3.332 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1c(F)cccc1Cl ZINC000581436858 336077695 /nfs/dbraw/zinc/07/76/95/336077695.db2.gz FDJUPYSUXNYFMW-NEPJUHHUSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1c(F)cccc1Cl ZINC000581436858 336077697 /nfs/dbraw/zinc/07/76/97/336077697.db2.gz FDJUPYSUXNYFMW-NEPJUHHUSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC2CCC1CC2 ZINC000381951806 336079073 /nfs/dbraw/zinc/07/90/73/336079073.db2.gz SHNFTKYDOFQDRC-FAYHIZQSSA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000383409712 336108825 /nfs/dbraw/zinc/10/88/25/336108825.db2.gz HHCNLHXNVDJTLO-HDICACEKSA-N 2 1 272.436 3.241 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000385438165 336146348 /nfs/dbraw/zinc/14/63/48/336146348.db2.gz RDIDKGXJLZQDCA-BPUTZDHNSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000385438165 336146350 /nfs/dbraw/zinc/14/63/50/336146350.db2.gz RDIDKGXJLZQDCA-BPUTZDHNSA-N 2 1 252.446 3.274 20 0 CGADMP CSCC1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000385554563 336151147 /nfs/dbraw/zinc/15/11/47/336151147.db2.gz NTMYYIFBOUJSBL-UHFFFAOYSA-N 2 1 284.513 3.372 20 0 CGADMP CSCC1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000385554563 336151148 /nfs/dbraw/zinc/15/11/48/336151148.db2.gz NTMYYIFBOUJSBL-UHFFFAOYSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1C ZINC000385905901 336161131 /nfs/dbraw/zinc/16/11/31/336161131.db2.gz GVXSVVJSSWEFCR-JTDSTZFVSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1nccc2ccccc21 ZINC000423549135 533852729 /nfs/dbraw/zinc/85/27/29/533852729.db2.gz HKJDVJJNUGWLME-ZDUSSCGKSA-N 2 1 269.392 3.028 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357883 533885371 /nfs/dbraw/zinc/88/53/71/533885371.db2.gz IUUFEKOOQFJDFC-DGCLKSJQSA-N 2 1 282.815 3.141 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000157337257 520978019 /nfs/dbraw/zinc/97/80/19/520978019.db2.gz JRNWGCSRUVFFKE-QGZVFWFLSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000157337257 520978022 /nfs/dbraw/zinc/97/80/22/520978022.db2.gz JRNWGCSRUVFFKE-QGZVFWFLSA-N 2 1 288.435 3.003 20 0 CGADMP Fc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc21 ZINC000436295747 534528434 /nfs/dbraw/zinc/52/84/34/534528434.db2.gz ZRRDMDXKJHPSCN-TZMCWYRMSA-N 2 1 287.382 3.023 20 0 CGADMP Fc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000436295747 534528438 /nfs/dbraw/zinc/52/84/38/534528438.db2.gz ZRRDMDXKJHPSCN-TZMCWYRMSA-N 2 1 287.382 3.023 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150281565 522045597 /nfs/dbraw/zinc/04/55/97/522045597.db2.gz FNGMZDWRPOQEIV-ZDUSSCGKSA-N 2 1 268.351 3.056 20 0 CGADMP COCc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157411830 523058019 /nfs/dbraw/zinc/05/80/19/523058019.db2.gz IHUYPTZGLDGGKL-MSOLQXFVSA-N 2 1 282.387 3.067 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157481646 524156402 /nfs/dbraw/zinc/15/64/02/524156402.db2.gz KDQFSFXPHAMLKE-RZAIGCCYSA-N 2 1 282.387 3.491 20 0 CGADMP C[C@H]1CCCc2ccccc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000184955282 524229163 /nfs/dbraw/zinc/22/91/63/524229163.db2.gz QPFQKAHESUAUKW-KSSFIOAISA-N 2 1 272.436 3.384 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000186115703 524886056 /nfs/dbraw/zinc/88/60/56/524886056.db2.gz WBTOMKCKPCHCLO-STQMWFEESA-N 2 1 282.453 3.139 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1N(C)C ZINC000093941741 525296599 /nfs/dbraw/zinc/29/65/99/525296599.db2.gz RGLBTRRCVNAORT-AWEZNQCLSA-N 2 1 287.451 3.030 20 0 CGADMP C[C@H](OCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000163373838 525903636 /nfs/dbraw/zinc/90/36/36/525903636.db2.gz MOFPDKPCHOVGHB-BQFCYCMXSA-N 2 1 290.451 3.084 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000184261230 526216078 /nfs/dbraw/zinc/21/60/78/526216078.db2.gz WYQUTTPOYRWLNK-INIZCTEOSA-N 2 1 275.440 3.163 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000358039997 527804545 /nfs/dbraw/zinc/80/45/45/527804545.db2.gz AWSZGDISKSCICJ-WMLDXEAASA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000358039997 527804552 /nfs/dbraw/zinc/80/45/52/527804552.db2.gz AWSZGDISKSCICJ-WMLDXEAASA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cccnc3o2)C[C@@H]1C ZINC000449033422 527833719 /nfs/dbraw/zinc/83/37/19/527833719.db2.gz ZQHUHYZTIDXHPO-ZFWWWQNUSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3cccnc3o2)C[C@@H]1C ZINC000449033422 527833721 /nfs/dbraw/zinc/83/37/21/527833721.db2.gz ZQHUHYZTIDXHPO-ZFWWWQNUSA-N 2 1 287.407 3.132 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3cccnc3o2)C[C@@H]1C ZINC000449033422 527833722 /nfs/dbraw/zinc/83/37/22/527833722.db2.gz ZQHUHYZTIDXHPO-ZFWWWQNUSA-N 2 1 287.407 3.132 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3cccnc3o2)C[C@@H]1C ZINC000449033422 527833725 /nfs/dbraw/zinc/83/37/25/527833725.db2.gz ZQHUHYZTIDXHPO-ZFWWWQNUSA-N 2 1 287.407 3.132 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C12CCCC2 ZINC000423260399 527845917 /nfs/dbraw/zinc/84/59/17/527845917.db2.gz HIYUITCFBJOSGJ-BRWVUGGUSA-N 2 1 294.483 3.221 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C12CCCCC2 ZINC000423262167 527949010 /nfs/dbraw/zinc/94/90/10/527949010.db2.gz LVWXUTPWPWRBQO-OWCLPIDISA-N 2 1 282.472 3.077 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1F ZINC000449178997 528182435 /nfs/dbraw/zinc/18/24/35/528182435.db2.gz UTPYGNMOXBFUIZ-NVXWUHKLSA-N 2 1 293.430 3.211 20 0 CGADMP CCCCCOc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423441533 528237257 /nfs/dbraw/zinc/23/72/57/528237257.db2.gz UOJNNXMZURKDRD-ZSGPHXLJSA-N 2 1 288.435 3.124 20 0 CGADMP CCCCCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423441531 528237310 /nfs/dbraw/zinc/23/73/10/528237310.db2.gz UOJNNXMZURKDRD-VIBAHUMZSA-N 2 1 288.435 3.124 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449060944 528242373 /nfs/dbraw/zinc/24/23/73/528242373.db2.gz HABZZGDXBNOSFA-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP CC[N@H+](CC[NH2+]CC1(CCOC)CCCCC1)C(C)C ZINC000436234033 528509603 /nfs/dbraw/zinc/50/96/03/528509603.db2.gz UZGWVNQULGCZTI-UHFFFAOYSA-N 2 1 284.488 3.293 20 0 CGADMP CC[N@@H+](CC[NH2+]CC1(CCOC)CCCCC1)C(C)C ZINC000436234033 528509608 /nfs/dbraw/zinc/50/96/08/528509608.db2.gz UZGWVNQULGCZTI-UHFFFAOYSA-N 2 1 284.488 3.293 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364312535 528637918 /nfs/dbraw/zinc/63/79/18/528637918.db2.gz GBDLSHBRHPPWSW-QZTJIDSGSA-N 2 1 272.436 3.356 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424378486 528720753 /nfs/dbraw/zinc/72/07/53/528720753.db2.gz STOBALKJADOWPI-KBRIMQKVSA-N 2 1 276.424 3.396 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000423286976 528949976 /nfs/dbraw/zinc/94/99/76/528949976.db2.gz JTRUFZJMZPJJNN-ZDUSSCGKSA-N 2 1 264.413 3.172 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000423298864 528955318 /nfs/dbraw/zinc/95/53/18/528955318.db2.gz PAKPGPCTHYTZDN-NWDGAFQWSA-N 2 1 254.443 3.479 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423299977 528956925 /nfs/dbraw/zinc/95/69/25/528956925.db2.gz QQJPYJQEMPOUHM-MOIQIXESSA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414798337 529067183 /nfs/dbraw/zinc/06/71/83/529067183.db2.gz QEQKNYWLQDQBGZ-MRXNPFEDSA-N 2 1 274.433 3.488 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)C1 ZINC000449105195 529086040 /nfs/dbraw/zinc/08/60/40/529086040.db2.gz HMWXQGJILWYUFE-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP CCC1(C[N@@H+](CCC[NH3+])Cc2ccccc2)CCOCC1 ZINC000359458736 529117594 /nfs/dbraw/zinc/11/75/94/529117594.db2.gz MABNHFIKFPQESC-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1cccc(F)c1 ZINC000423288192 529156795 /nfs/dbraw/zinc/15/67/95/529156795.db2.gz QXPCXYNEAXESAE-CQSZACIVSA-N 2 1 252.377 3.384 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000449132032 529157039 /nfs/dbraw/zinc/15/70/39/529157039.db2.gz RHDKVJJXDPZYAN-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Cl)s1 ZINC000423263311 529173291 /nfs/dbraw/zinc/17/32/91/529173291.db2.gz AWAJWFSPGKHZJM-NXEZZACHSA-N 2 1 260.834 3.426 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423343194 529247717 /nfs/dbraw/zinc/24/77/17/529247717.db2.gz ZLIVAUJKBQDKOZ-LBPRGKRZSA-N 2 1 264.438 3.331 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)cc2C)CC1 ZINC000125245157 535457429 /nfs/dbraw/zinc/45/74/29/535457429.db2.gz WDPNFTQOGNRWSS-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2C)CC1 ZINC000125245157 535457433 /nfs/dbraw/zinc/45/74/33/535457433.db2.gz WDPNFTQOGNRWSS-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125170887 535704343 /nfs/dbraw/zinc/70/43/43/535704343.db2.gz FRNTYZYIGYHHFC-MRXNPFEDSA-N 2 1 284.513 3.470 20 0 CGADMP CC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](CC)CC)[C@@H]1CCOC1 ZINC000480535207 535908526 /nfs/dbraw/zinc/90/85/26/535908526.db2.gz ZCALLODOXMSOEJ-IKGGRYGDSA-N 2 1 284.488 3.148 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000483494017 536170292 /nfs/dbraw/zinc/17/02/92/536170292.db2.gz TURGONXKWIICHT-RTBURBONSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000483494017 536170294 /nfs/dbraw/zinc/17/02/94/536170294.db2.gz TURGONXKWIICHT-RTBURBONSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000483494017 536170296 /nfs/dbraw/zinc/17/02/96/536170296.db2.gz TURGONXKWIICHT-RTBURBONSA-N 2 1 286.463 3.208 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411185 536370893 /nfs/dbraw/zinc/37/08/93/536370893.db2.gz DGGAVEFIFMKWBP-MSOLQXFVSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411185 536370894 /nfs/dbraw/zinc/37/08/94/536370894.db2.gz DGGAVEFIFMKWBP-MSOLQXFVSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411185 536370896 /nfs/dbraw/zinc/37/08/96/536370896.db2.gz DGGAVEFIFMKWBP-MSOLQXFVSA-N 2 1 290.426 3.273 20 0 CGADMP C[N@H+](CC[NH2+]C1CCC2(CCCO2)CC1)C1CCCCC1 ZINC000515105891 536387392 /nfs/dbraw/zinc/38/73/92/536387392.db2.gz CUFLPFWUJAZRKF-UHFFFAOYSA-N 2 1 294.483 3.332 20 0 CGADMP C[N@@H+](CC[NH2+]C1CCC2(CCCO2)CC1)C1CCCCC1 ZINC000515105891 536387394 /nfs/dbraw/zinc/38/73/94/536387394.db2.gz CUFLPFWUJAZRKF-UHFFFAOYSA-N 2 1 294.483 3.332 20 0 CGADMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397956265 572494000 /nfs/dbraw/zinc/49/40/00/572494000.db2.gz BSPMVQBLTDUTQK-OEQZANGBSA-N 2 1 258.409 3.063 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166430052 572817310 /nfs/dbraw/zinc/81/73/10/572817310.db2.gz VBFYZUNPSVOTBA-DLBZAZTESA-N 2 1 286.463 3.489 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)cn1 ZINC000806131559 617835741 /nfs/dbraw/zinc/83/57/41/617835741.db2.gz MBMLMKZLGYKLDN-CVEARBPZSA-N 2 1 298.434 3.490 20 0 CGADMP Cc1cc(CN(C)CC[C@H]2CCCC[N@H+]2C)c(C)o1 ZINC000093660100 618403779 /nfs/dbraw/zinc/40/37/79/618403779.db2.gz AHMJLXYLEBVXBI-MRXNPFEDSA-N 2 1 264.413 3.203 20 0 CGADMP CC[C@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926510632 618717795 /nfs/dbraw/zinc/71/77/95/618717795.db2.gz XDZRMHYPBHQUGU-VQTPCSAVSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000924540867 618808493 /nfs/dbraw/zinc/80/84/93/618808493.db2.gz YYDLONFGYBSDEM-LBPRGKRZSA-N 2 1 260.381 3.344 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccnc(Cl)c1 ZINC000161086315 618870428 /nfs/dbraw/zinc/87/04/28/618870428.db2.gz ALTPHTIFQMUALN-YUTCNCBUSA-N 2 1 281.831 3.258 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000892668832 618894321 /nfs/dbraw/zinc/89/43/21/618894321.db2.gz REARDEJILLLZMH-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP CCC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ncccc1Cl ZINC000925703884 619153508 /nfs/dbraw/zinc/15/35/08/619153508.db2.gz FGSSLHNZOIDVLG-HNNXBMFYSA-N 2 1 293.842 3.428 20 0 CGADMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ncccc1Cl ZINC000925703884 619153509 /nfs/dbraw/zinc/15/35/09/619153509.db2.gz FGSSLHNZOIDVLG-HNNXBMFYSA-N 2 1 293.842 3.428 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435219 619163039 /nfs/dbraw/zinc/16/30/39/619163039.db2.gz AIYMNXZQYRGAHB-VNHAASDWSA-N 2 1 290.838 3.237 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C/C=C/c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435219 619163041 /nfs/dbraw/zinc/16/30/41/619163041.db2.gz AIYMNXZQYRGAHB-VNHAASDWSA-N 2 1 290.838 3.237 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C/c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435219 619163042 /nfs/dbraw/zinc/16/30/42/619163042.db2.gz AIYMNXZQYRGAHB-VNHAASDWSA-N 2 1 290.838 3.237 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000925757942 619221544 /nfs/dbraw/zinc/22/15/44/619221544.db2.gz XGAPAHBRZKUUME-GFCCVEGCSA-N 2 1 280.387 3.099 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000925779725 619242427 /nfs/dbraw/zinc/24/24/27/619242427.db2.gz PDQZJTOETWJYTL-PWSUYJOCSA-N 2 1 288.769 3.235 20 0 CGADMP Clc1c[nH+]ccc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261594047 619289662 /nfs/dbraw/zinc/28/96/62/619289662.db2.gz NGWHWCJXSLAOKM-HNNXBMFYSA-N 2 1 273.767 3.034 20 0 CGADMP Clc1c[nH+]ccc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261594048 619289741 /nfs/dbraw/zinc/28/97/41/619289741.db2.gz NGWHWCJXSLAOKM-OAHLLOKOSA-N 2 1 273.767 3.034 20 0 CGADMP CC[NH+](CC)Cc1cccc(NCc2c(C)cc[nH+]c2N)c1 ZINC000894102659 619374430 /nfs/dbraw/zinc/37/44/30/619374430.db2.gz OMJIGNXMSSFCJU-UHFFFAOYSA-N 2 1 298.434 3.426 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@H]12 ZINC000261776279 619406246 /nfs/dbraw/zinc/40/62/46/619406246.db2.gz PDXMGNDEUIJCGE-DDTOSNHZSA-N 2 1 287.794 3.062 20 0 CGADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000262085383 619700284 /nfs/dbraw/zinc/70/02/84/619700284.db2.gz UHBNIZUWCKYPNM-UHFFFAOYSA-N 2 1 282.790 3.055 20 0 CGADMP CCCSC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479549 619836427 /nfs/dbraw/zinc/83/64/27/619836427.db2.gz PXHATTGWKXZHRG-GOEBONIOSA-N 2 1 284.513 3.230 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000925135842 620052625 /nfs/dbraw/zinc/05/26/25/620052625.db2.gz ZMERNGBNRDPLGU-HNNXBMFYSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000924712619 620572240 /nfs/dbraw/zinc/57/22/40/620572240.db2.gz JCAIIPWJRMLPMF-OWCLPIDISA-N 2 1 275.440 3.386 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)C)cn1 ZINC000924725782 620578707 /nfs/dbraw/zinc/57/87/07/620578707.db2.gz YRGMGOPNTILWSS-KRWDZBQOSA-N 2 1 298.434 3.490 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1Cl ZINC000042437620 620872398 /nfs/dbraw/zinc/87/23/98/620872398.db2.gz XRHOZDOQXDOCQV-UHFFFAOYSA-N 2 1 254.805 3.291 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C1 ZINC000902358476 621288748 /nfs/dbraw/zinc/28/87/48/621288748.db2.gz CRTLBYUWGRYBPG-IUODEOHRSA-N 2 1 292.398 3.017 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000902407206 621293376 /nfs/dbraw/zinc/29/33/76/621293376.db2.gz QBKPRVCTKMMWMQ-ZFWWWQNUSA-N 2 1 278.827 3.132 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000902408561 621294400 /nfs/dbraw/zinc/29/44/00/621294400.db2.gz ZBDPBTQYTWEPHO-OCCSQVGLSA-N 2 1 264.800 3.057 20 0 CGADMP CNc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000902402722 621306803 /nfs/dbraw/zinc/30/68/03/621306803.db2.gz BUZMRNJIPFVOPS-MRXNPFEDSA-N 2 1 289.467 3.186 20 0 CGADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902418197 621310162 /nfs/dbraw/zinc/31/01/62/621310162.db2.gz WIOUMUBIZFVWCK-NSHDSACASA-N 2 1 287.432 3.260 20 0 CGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466007 621338545 /nfs/dbraw/zinc/33/85/45/621338545.db2.gz IEFUSJRPSRCQHH-AQNFWKISSA-N 2 1 298.352 3.119 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902993966 621515486 /nfs/dbraw/zinc/51/54/86/621515486.db2.gz ZKGQDVVZKIDOKB-RYQLBKOJSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902993966 621515501 /nfs/dbraw/zinc/51/55/01/621515501.db2.gz ZKGQDVVZKIDOKB-RYQLBKOJSA-N 2 1 296.499 3.290 20 0 CGADMP CC1CC[NH+](CCC[NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903058681 621548017 /nfs/dbraw/zinc/54/80/17/621548017.db2.gz JMIUTESYJQOPGR-GOSISDBHSA-N 2 1 287.451 3.244 20 0 CGADMP CS[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903097303 621585821 /nfs/dbraw/zinc/58/58/21/621585821.db2.gz FPMXVEQIESWXLU-AIDGVLJZSA-N 2 1 294.508 3.408 20 0 CGADMP C(=C\c1ccccc1)\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903097129 621586143 /nfs/dbraw/zinc/58/61/43/621586143.db2.gz OZLCJVITVCTSKR-VDOKXRIZSA-N 2 1 282.431 3.447 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903126722 621590486 /nfs/dbraw/zinc/59/04/86/621590486.db2.gz UQBIWGDWRQFKHA-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903132783 621592004 /nfs/dbraw/zinc/59/20/04/621592004.db2.gz XXSLKQNPVWVUHI-PNFOFYCQSA-N 2 1 299.462 3.452 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC2(c3ccccc3)CC2)CC[N@H+]1C ZINC000903170074 621618993 /nfs/dbraw/zinc/61/89/93/621618993.db2.gz CSLHWYVGCLQUAH-WBVHZDCISA-N 2 1 272.436 3.181 20 0 CGADMP CS[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903193736 621621393 /nfs/dbraw/zinc/62/13/93/621621393.db2.gz GMLSCOJONSXMHY-SXLMRFEMSA-N 2 1 294.508 3.408 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000903280597 621660546 /nfs/dbraw/zinc/66/05/46/621660546.db2.gz WALJWDRRXJLUCL-UGUYLWEFSA-N 2 1 262.441 3.172 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)(C)C)c1cccnc1 ZINC000903380132 621722985 /nfs/dbraw/zinc/72/29/85/621722985.db2.gz KPSNVOKCKSSAFH-IXDOHACOSA-N 2 1 289.467 3.489 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000903430623 621744472 /nfs/dbraw/zinc/74/44/72/621744472.db2.gz YFWSRDHENLUUAB-MAZHCROVSA-N 2 1 262.372 3.090 20 0 CGADMP C[C@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1CN ZINC000903424918 621751233 /nfs/dbraw/zinc/75/12/33/621751233.db2.gz LOBSMAOTOUBQGG-DRPJVOAASA-N 2 1 294.389 3.095 20 0 CGADMP C[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1CN ZINC000903424918 621751236 /nfs/dbraw/zinc/75/12/36/621751236.db2.gz LOBSMAOTOUBQGG-DRPJVOAASA-N 2 1 294.389 3.095 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCSC[C@H]2c2ccccc2)C1 ZINC000903481437 621764972 /nfs/dbraw/zinc/76/49/72/621764972.db2.gz BSPYNKJTMBIYMB-UAGQMJEPSA-N 2 1 290.476 3.294 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903729552 621797173 /nfs/dbraw/zinc/79/71/73/621797173.db2.gz OPXVLAZZJYBLSA-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903891785 621824135 /nfs/dbraw/zinc/82/41/35/621824135.db2.gz CYGWPTGBKHEGPD-WYQXTGKHSA-N 2 1 288.410 3.275 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903897504 621829486 /nfs/dbraw/zinc/82/94/86/621829486.db2.gz FEFDUZBCKCEKTJ-GWONACJQSA-N 2 1 282.497 3.123 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC12CCCCC2 ZINC000903910800 621832303 /nfs/dbraw/zinc/83/23/03/621832303.db2.gz RECZFPOORFLUDV-MQVJKMGUSA-N 2 1 262.441 3.316 20 0 CGADMP Clc1cc2c(s1)CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932438 621834583 /nfs/dbraw/zinc/83/45/83/621834583.db2.gz RHWUTSPGQSGLBC-VGPLMAKISA-N 2 1 296.867 3.290 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000903946035 621839759 /nfs/dbraw/zinc/83/97/59/621839759.db2.gz GAYOFPXHNUHWJD-UHFFFAOYSA-N 2 1 288.435 3.103 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955816 621843275 /nfs/dbraw/zinc/84/32/75/621843275.db2.gz ZMNPHYGYSQIQMW-INIZCTEOSA-N 2 1 296.405 3.220 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000904311520 621902799 /nfs/dbraw/zinc/90/27/99/621902799.db2.gz DSRIXTILTUADAS-CWRNSKLLSA-N 2 1 283.419 3.085 20 0 CGADMP CSc1ccccc1C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904340645 621909631 /nfs/dbraw/zinc/90/96/31/621909631.db2.gz ASAYRJAPNINLNR-MRXNPFEDSA-N 2 1 278.465 3.230 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904340645 621909636 /nfs/dbraw/zinc/90/96/36/621909636.db2.gz ASAYRJAPNINLNR-MRXNPFEDSA-N 2 1 278.465 3.230 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000904342223 621909709 /nfs/dbraw/zinc/90/97/09/621909709.db2.gz ZULRIRNOMKPEQQ-SJORKVTESA-N 2 1 289.467 3.100 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000904342223 621909712 /nfs/dbraw/zinc/90/97/12/621909712.db2.gz ZULRIRNOMKPEQQ-SJORKVTESA-N 2 1 289.467 3.100 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000904406541 621918516 /nfs/dbraw/zinc/91/85/16/621918516.db2.gz GOPLVCVCJYNADE-JQHSSLGASA-N 2 1 272.436 3.168 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1C[NH3+] ZINC000904412371 621918738 /nfs/dbraw/zinc/91/87/38/621918738.db2.gz UKYCWDOMDGWWNJ-YJBOKZPZSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@@H]1C[N@H+](Cc2csc(Cl)c2Cl)CC[C@H]1C[NH3+] ZINC000904411004 621919254 /nfs/dbraw/zinc/91/92/54/621919254.db2.gz SLXIYDXKXNDLNA-BDAKNGLRSA-N 2 1 293.263 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc(Cl)c2Cl)CC[C@H]1C[NH3+] ZINC000904411004 621919256 /nfs/dbraw/zinc/91/92/56/621919256.db2.gz SLXIYDXKXNDLNA-BDAKNGLRSA-N 2 1 293.263 3.472 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[NH+](C)C ZINC000921522265 625631040 /nfs/dbraw/zinc/63/10/40/625631040.db2.gz PMNZGGDYEDJASM-FJIDUMEYSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1nc(C)c(CSCC[N@H+](C)Cc2ccccc2)[nH]1 ZINC000917587437 624297575 /nfs/dbraw/zinc/29/75/75/624297575.db2.gz FMRUIKHZYUUQRF-UHFFFAOYSA-N 2 1 289.448 3.392 20 0 CGADMP Cc1[nH]c(CSCC[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000917587437 624297582 /nfs/dbraw/zinc/29/75/82/624297582.db2.gz FMRUIKHZYUUQRF-UHFFFAOYSA-N 2 1 289.448 3.392 20 0 CGADMP Cc1[nH]c(CSCC[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000917587437 624297591 /nfs/dbraw/zinc/29/75/91/624297591.db2.gz FMRUIKHZYUUQRF-UHFFFAOYSA-N 2 1 289.448 3.392 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1cnn(C2CCC2)c1)C(C)C ZINC000921805194 625882584 /nfs/dbraw/zinc/88/25/84/625882584.db2.gz FCVHEPHEMWOAKG-UHFFFAOYSA-N 2 1 292.471 3.207 20 0 CGADMP CS[C@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000922169957 625978196 /nfs/dbraw/zinc/97/81/96/625978196.db2.gz AYHIEXDGAXKYAS-ZFWWWQNUSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H](CC[NH2+]Cc1cccc(Oc2ccccn2)c1)[NH+](C)C ZINC000922254085 625990542 /nfs/dbraw/zinc/99/05/42/625990542.db2.gz GOYMRGXDBDNBGN-OAHLLOKOSA-N 2 1 299.418 3.304 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289614 626143243 /nfs/dbraw/zinc/14/32/43/626143243.db2.gz RAPFLZTYFWKDIG-UKRRQHHQSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923306173 626145040 /nfs/dbraw/zinc/14/50/40/626145040.db2.gz RDLBXTPXFYPIRZ-WYQXTGKHSA-N 2 1 262.441 3.170 20 0 CGADMP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH2+]C1CC1 ZINC000923525624 626160906 /nfs/dbraw/zinc/16/09/06/626160906.db2.gz IDCHRHZKCQIKFI-QXMXGUDHSA-N 2 1 290.373 3.324 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CC[N@H+]1C ZINC000764591638 627213775 /nfs/dbraw/zinc/21/37/75/627213775.db2.gz XUVOTYRODPLMBH-OKUQKKEKSA-N 2 1 276.468 3.275 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000765036560 627237955 /nfs/dbraw/zinc/23/79/55/627237955.db2.gz HTSGBXUHQQYGCJ-VNHYZAJKSA-N 2 1 291.464 3.045 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000765036560 627237957 /nfs/dbraw/zinc/23/79/57/627237957.db2.gz HTSGBXUHQQYGCJ-VNHYZAJKSA-N 2 1 291.464 3.045 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765291222 627245395 /nfs/dbraw/zinc/24/53/95/627245395.db2.gz OPTFBKWZNYSVAU-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765291222 627245397 /nfs/dbraw/zinc/24/53/97/627245397.db2.gz OPTFBKWZNYSVAU-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C1(CC)CC ZINC000766488790 627337052 /nfs/dbraw/zinc/33/70/52/627337052.db2.gz OLQOOMLFRMQOAJ-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000767423622 627407515 /nfs/dbraw/zinc/40/75/15/627407515.db2.gz CTCNJLPKOBJXEJ-OAHLLOKOSA-N 2 1 264.388 3.135 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@H]2CCCSC2)C1 ZINC000769011191 627515908 /nfs/dbraw/zinc/51/59/08/627515908.db2.gz CFJUKTFACZVGPG-ZNMIVQPWSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCCSC2)C1 ZINC000769011191 627515911 /nfs/dbraw/zinc/51/59/11/627515911.db2.gz CFJUKTFACZVGPG-ZNMIVQPWSA-N 2 1 284.513 3.228 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)o1 ZINC000769517159 627562359 /nfs/dbraw/zinc/56/23/59/627562359.db2.gz ZLYZHBMJDUFDPP-INIZCTEOSA-N 2 1 276.424 3.060 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)o1 ZINC000769517159 627562361 /nfs/dbraw/zinc/56/23/61/627562361.db2.gz ZLYZHBMJDUFDPP-INIZCTEOSA-N 2 1 276.424 3.060 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)o1 ZINC000769517159 627562364 /nfs/dbraw/zinc/56/23/64/627562364.db2.gz ZLYZHBMJDUFDPP-INIZCTEOSA-N 2 1 276.424 3.060 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)o1 ZINC000769517159 627562366 /nfs/dbraw/zinc/56/23/66/627562366.db2.gz ZLYZHBMJDUFDPP-INIZCTEOSA-N 2 1 276.424 3.060 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000771370813 627704338 /nfs/dbraw/zinc/70/43/38/627704338.db2.gz OPPWQRZFMBXBRS-LBPRGKRZSA-N 2 1 281.831 3.260 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)CCN1C ZINC000777596752 628287540 /nfs/dbraw/zinc/28/75/40/628287540.db2.gz YGXOAMNBYMAHAU-CJNGLKHVSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC000777596752 628287543 /nfs/dbraw/zinc/28/75/43/628287543.db2.gz YGXOAMNBYMAHAU-CJNGLKHVSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CF)cc2)CC[N@H+]1C ZINC000777596752 628287546 /nfs/dbraw/zinc/28/75/46/628287546.db2.gz YGXOAMNBYMAHAU-CJNGLKHVSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000779460499 628414616 /nfs/dbraw/zinc/41/46/16/628414616.db2.gz QIRHGHJAUOVFBG-NVXWUHKLSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)Cc2ccccc21 ZINC000779460499 628414618 /nfs/dbraw/zinc/41/46/18/628414618.db2.gz QIRHGHJAUOVFBG-NVXWUHKLSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)Cc2ccccc21 ZINC000779460499 628414619 /nfs/dbraw/zinc/41/46/19/628414619.db2.gz QIRHGHJAUOVFBG-NVXWUHKLSA-N 2 1 272.436 3.480 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000780710296 628509552 /nfs/dbraw/zinc/50/95/52/628509552.db2.gz AQQHTEUQVVAGAS-UHFFFAOYSA-N 2 1 258.409 3.102 20 0 CGADMP CCCCO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000782183297 628621206 /nfs/dbraw/zinc/62/12/06/628621206.db2.gz JZJCAUBKLGDDMF-SJORKVTESA-N 2 1 296.499 3.244 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000783567658 628726672 /nfs/dbraw/zinc/72/66/72/628726672.db2.gz QNJSNPGXSYBLDF-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1 ZINC000788593625 629066802 /nfs/dbraw/zinc/06/68/02/629066802.db2.gz HAURSMYUEQKXNR-AWEZNQCLSA-N 2 1 299.418 3.090 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790047656 629179932 /nfs/dbraw/zinc/17/99/32/629179932.db2.gz ANXNEISTSJZVQI-WMZOPIPTSA-N 2 1 286.463 3.426 20 0 CGADMP Fc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000865416506 630111503 /nfs/dbraw/zinc/11/15/03/630111503.db2.gz AQGWBXOQQMWBHF-CVEARBPZSA-N 2 1 299.393 3.090 20 0 CGADMP Fc1cccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cnc12 ZINC000865416506 630111506 /nfs/dbraw/zinc/11/15/06/630111506.db2.gz AQGWBXOQQMWBHF-CVEARBPZSA-N 2 1 299.393 3.090 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000865418511 630112856 /nfs/dbraw/zinc/11/28/56/630112856.db2.gz GPNVBZDLBGBEGY-UHFFFAOYSA-N 2 1 297.393 3.372 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000798956557 630128095 /nfs/dbraw/zinc/12/80/95/630128095.db2.gz CTAJLHJKHNASNM-UHFFFAOYSA-N 2 1 293.480 3.068 20 0 CGADMP FC(F)(F)c1c[nH+]ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000865526938 630169689 /nfs/dbraw/zinc/16/96/89/630169689.db2.gz ZAXZXDYNIHNBMQ-GFCCVEGCSA-N 2 1 299.340 3.165 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3C(F)(F)F)CC[C@@H]21 ZINC000865617620 630224761 /nfs/dbraw/zinc/22/47/61/630224761.db2.gz PSIGLFPUVYWMIG-YPMHNXCESA-N 2 1 299.340 3.021 20 0 CGADMP CC1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000802650825 630402533 /nfs/dbraw/zinc/40/25/33/630402533.db2.gz BLXRCUJIFKPFAY-UHFFFAOYSA-N 2 1 260.425 3.096 20 0 CGADMP CC1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000802650825 630402535 /nfs/dbraw/zinc/40/25/35/630402535.db2.gz BLXRCUJIFKPFAY-UHFFFAOYSA-N 2 1 260.425 3.096 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806139724 630547787 /nfs/dbraw/zinc/54/77/87/630547787.db2.gz QWFNQRMGBDMSKT-BBWFWOEESA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1C(F)(F)F ZINC000865800605 632893688 /nfs/dbraw/zinc/89/36/88/632893688.db2.gz KTWKNWZQGRBXAA-RYUDHWBXSA-N 2 1 299.340 3.163 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000866215279 633031402 /nfs/dbraw/zinc/03/14/02/633031402.db2.gz IHROZHRDDVGKGQ-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000866343339 633089783 /nfs/dbraw/zinc/08/97/83/633089783.db2.gz ZLEASLLJFBYJJW-SFHVURJKSA-N 2 1 291.398 3.393 20 0 CGADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccn1 ZINC000866370138 633107048 /nfs/dbraw/zinc/10/70/48/633107048.db2.gz RNOHNRMYXNMXAR-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)[C@@H]2CCC[C@@H]21 ZINC000866544646 633186802 /nfs/dbraw/zinc/18/68/02/633186802.db2.gz XYAPFTXXCMZYLQ-AVGNSLFASA-N 2 1 274.399 3.130 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561525 633192774 /nfs/dbraw/zinc/19/27/74/633192774.db2.gz GPUCYATUQMWMBW-RYRKJORJSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561525 633192778 /nfs/dbraw/zinc/19/27/78/633192778.db2.gz GPUCYATUQMWMBW-RYRKJORJSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCOC1 ZINC000866562329 633193189 /nfs/dbraw/zinc/19/31/89/633193189.db2.gz RIQMZEIGBLVBHC-JZXOWHBKSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCCOC1 ZINC000866562329 633193194 /nfs/dbraw/zinc/19/31/94/633193194.db2.gz RIQMZEIGBLVBHC-JZXOWHBKSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(Cl)n1)C1CC[NH2+]CC1 ZINC000866661328 633229299 /nfs/dbraw/zinc/22/92/99/633229299.db2.gz NYBYDDUPBIJMDI-UHFFFAOYSA-N 2 1 281.831 3.007 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)c(Cl)n1)C1CC[NH2+]CC1 ZINC000866661328 633229302 /nfs/dbraw/zinc/22/93/02/633229302.db2.gz NYBYDDUPBIJMDI-UHFFFAOYSA-N 2 1 281.831 3.007 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705350 633234148 /nfs/dbraw/zinc/23/41/48/633234148.db2.gz YLKHUIPRBUGUMQ-PBHICJAKSA-N 2 1 260.425 3.445 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)n1 ZINC000866710299 633236133 /nfs/dbraw/zinc/23/61/33/633236133.db2.gz XTRLEJORVKRJJK-SFHVURJKSA-N 2 1 289.467 3.204 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C1CC[NH+](CC)CC1 ZINC000872018184 633938755 /nfs/dbraw/zinc/93/87/55/633938755.db2.gz IZHCTWMPICNISY-NSHDSACASA-N 2 1 266.351 3.181 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CCCCC1 ZINC000872017981 633938800 /nfs/dbraw/zinc/93/88/00/633938800.db2.gz GKLNYSUQIDTJQT-HZPDHXFCSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+]1CCCC1 ZINC000872021195 633942327 /nfs/dbraw/zinc/94/23/27/633942327.db2.gz OKFGHBXOTMCATN-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000872025481 633946317 /nfs/dbraw/zinc/94/63/17/633946317.db2.gz NMZDZIKRQZKNEA-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872031874 633950389 /nfs/dbraw/zinc/95/03/89/633950389.db2.gz NILOFHRKQLHUBT-FVQBIDKESA-N 2 1 293.455 3.011 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872033051 633951961 /nfs/dbraw/zinc/95/19/61/633951961.db2.gz BFPFVINLNSILHA-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872033051 633951971 /nfs/dbraw/zinc/95/19/71/633951971.db2.gz BFPFVINLNSILHA-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872033902 633953198 /nfs/dbraw/zinc/95/31/98/633953198.db2.gz JZYNFXGCKHRXFX-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872074302 633997251 /nfs/dbraw/zinc/99/72/51/633997251.db2.gz ZVPQVOADSDKSNR-ARFHVFGLSA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872074302 633997254 /nfs/dbraw/zinc/99/72/54/633997254.db2.gz ZVPQVOADSDKSNR-ARFHVFGLSA-N 2 1 284.488 3.290 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ncccc23)[C@@H]2CCC[C@@H]21 ZINC000872123693 634046545 /nfs/dbraw/zinc/04/65/45/634046545.db2.gz UQHMDTOAAUXIDB-WDSOQIARSA-N 2 1 295.430 3.197 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000846217920 636161154 /nfs/dbraw/zinc/16/11/54/636161154.db2.gz IWLNYNXDTRKFQK-HNNXBMFYSA-N 2 1 290.407 3.071 20 0 CGADMP C[NH2+]CCC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000872143456 634064112 /nfs/dbraw/zinc/06/41/12/634064112.db2.gz MYINLFKTEKKTFX-UHFFFAOYSA-N 2 1 290.329 3.120 20 0 CGADMP Cc1ccc2c(ccc(C)c2C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000872145892 634064436 /nfs/dbraw/zinc/06/44/36/634064436.db2.gz YMYWOLSYFFKAOB-KRWDZBQOSA-N 2 1 298.430 3.006 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000872158223 634068960 /nfs/dbraw/zinc/06/89/60/634068960.db2.gz UCVHITWHEVDHMZ-MAUKXSAKSA-N 2 1 287.451 3.201 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872275875 634097226 /nfs/dbraw/zinc/09/72/26/634097226.db2.gz LTWARJIAKHBXMB-AEFFLSMTSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872275875 634097231 /nfs/dbraw/zinc/09/72/31/634097231.db2.gz LTWARJIAKHBXMB-AEFFLSMTSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872275875 634097233 /nfs/dbraw/zinc/09/72/33/634097233.db2.gz LTWARJIAKHBXMB-AEFFLSMTSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)[C@H]2CCC[C@@H]21 ZINC000834886000 634267520 /nfs/dbraw/zinc/26/75/20/634267520.db2.gz ZEJSAMPJCAMGDC-VOAKCMCISA-N 2 1 291.266 3.033 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234146 634295548 /nfs/dbraw/zinc/29/55/48/634295548.db2.gz CCGMRIISORWRMS-NEPJUHHUSA-N 2 1 280.378 3.475 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000876949559 634934482 /nfs/dbraw/zinc/93/44/82/634934482.db2.gz YQCMNPAGYFUPRP-UHFFFAOYSA-N 2 1 295.858 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3ncccc23)C1 ZINC000877531757 635075596 /nfs/dbraw/zinc/07/55/96/635075596.db2.gz QYVLDYYFFRDFKR-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000877531757 635075598 /nfs/dbraw/zinc/07/55/98/635075598.db2.gz QYVLDYYFFRDFKR-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000877531757 635075602 /nfs/dbraw/zinc/07/56/02/635075602.db2.gz QYVLDYYFFRDFKR-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000841049577 635114778 /nfs/dbraw/zinc/11/47/78/635114778.db2.gz LRCOJYQUIPURKJ-LBPRGKRZSA-N 2 1 290.354 3.125 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841087701 635119698 /nfs/dbraw/zinc/11/96/98/635119698.db2.gz QYDAQOOGFXOLPT-GFCCVEGCSA-N 2 1 288.407 3.464 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000877673239 635141120 /nfs/dbraw/zinc/14/11/20/635141120.db2.gz CVTXIIASUBFYAG-INIZCTEOSA-N 2 1 278.440 3.020 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877744200 635179482 /nfs/dbraw/zinc/17/94/82/635179482.db2.gz PUMDAAGVAWJLAM-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877744200 635179484 /nfs/dbraw/zinc/17/94/84/635179484.db2.gz PUMDAAGVAWJLAM-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877744200 635179488 /nfs/dbraw/zinc/17/94/88/635179488.db2.gz PUMDAAGVAWJLAM-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877744200 635179491 /nfs/dbraw/zinc/17/94/91/635179491.db2.gz PUMDAAGVAWJLAM-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccc(F)c(F)c1 ZINC000842471540 635375368 /nfs/dbraw/zinc/37/53/68/635375368.db2.gz HZBPQYKNOFFKKY-UHFFFAOYSA-N 2 1 270.367 3.306 20 0 CGADMP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842476078 635378783 /nfs/dbraw/zinc/37/87/83/635378783.db2.gz GGPQGDXGOAKPQH-YJBOKZPZSA-N 2 1 290.451 3.220 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cc2cnccc2o1 ZINC000879712266 635840162 /nfs/dbraw/zinc/84/01/62/635840162.db2.gz IMNSTKOWRCVIIS-DZGCQCFKSA-N 2 1 287.407 3.353 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cc2cnccc2o1 ZINC000879712266 635840166 /nfs/dbraw/zinc/84/01/66/635840166.db2.gz IMNSTKOWRCVIIS-DZGCQCFKSA-N 2 1 287.407 3.353 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880258794 635959749 /nfs/dbraw/zinc/95/97/49/635959749.db2.gz JLXOLGNAZLJGLG-ZIAGYGMSSA-N 2 1 295.377 3.028 20 0 CGADMP C[C@H]1C[C@@H](Nc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000128834980 636079518 /nfs/dbraw/zinc/07/95/18/636079518.db2.gz VISLPKCKOGFFFO-HOCLYGCPSA-N 2 1 273.424 3.181 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(C(C)C)s1 ZINC000845995624 636127537 /nfs/dbraw/zinc/12/75/37/636127537.db2.gz FPNDJOWKDGPIPX-UHFFFAOYSA-N 2 1 283.485 3.334 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(C(C)C)s1 ZINC000845995624 636127540 /nfs/dbraw/zinc/12/75/40/636127540.db2.gz FPNDJOWKDGPIPX-UHFFFAOYSA-N 2 1 283.485 3.334 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@H]1CCCOC1)C1CCCCC1 ZINC000846022072 636130499 /nfs/dbraw/zinc/13/04/99/636130499.db2.gz IPLUQFNASAITNJ-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](c2ccc(F)cc2)O1 ZINC000846219025 636161892 /nfs/dbraw/zinc/16/18/92/636161892.db2.gz CXMLXQWZPWWNAE-YOEHRIQHSA-N 2 1 294.414 3.107 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000882936340 636469262 /nfs/dbraw/zinc/46/92/62/636469262.db2.gz RTKKDHFBUXZIPC-UHFFFAOYSA-N 2 1 295.858 3.276 20 0 CGADMP [NH3+]C[C@@H](Nc1cc[nH+]cc1Cl)C1CCCCC1 ZINC000130884018 636526789 /nfs/dbraw/zinc/52/67/89/636526789.db2.gz UJPVDDHDROYILR-CYBMUJFWSA-N 2 1 253.777 3.055 20 0 CGADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCCCC1 ZINC000848522150 636586629 /nfs/dbraw/zinc/58/66/29/636586629.db2.gz UYCJOUMIQCWUEO-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@H]2CCC[C@@H]21 ZINC000883274590 636646603 /nfs/dbraw/zinc/64/66/03/636646603.db2.gz PDWVKZQRIJPAKJ-XGUBFFRZSA-N 2 1 286.410 3.274 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000131389617 636647270 /nfs/dbraw/zinc/64/72/70/636647270.db2.gz NFEBLJGSMZJQAV-MRXNPFEDSA-N 2 1 278.465 3.124 20 0 CGADMP Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(Cl)n1 ZINC000883301891 636656268 /nfs/dbraw/zinc/65/62/68/636656268.db2.gz LAIVDFODLKDSPL-RBSFLKMASA-N 2 1 293.842 3.006 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(Cl)n1 ZINC000883301891 636656273 /nfs/dbraw/zinc/65/62/73/636656273.db2.gz LAIVDFODLKDSPL-RBSFLKMASA-N 2 1 293.842 3.006 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(Cl)n1 ZINC000883301891 636656281 /nfs/dbraw/zinc/65/62/81/636656281.db2.gz LAIVDFODLKDSPL-RBSFLKMASA-N 2 1 293.842 3.006 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000131729314 636744286 /nfs/dbraw/zinc/74/42/86/636744286.db2.gz BQCPQBUIMDNEGY-DZGCQCFKSA-N 2 1 260.425 3.153 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC1(F)F)C1CCC([NH3+])CC1 ZINC000883417983 636749069 /nfs/dbraw/zinc/74/90/69/636749069.db2.gz SZUCORTXRDXQQD-PNESKVBLSA-N 2 1 260.372 3.014 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@H]1CCCC1(F)F ZINC000883424048 636752171 /nfs/dbraw/zinc/75/21/71/636752171.db2.gz DCOLYWQYFHIPPQ-RLAWYHOSSA-N 2 1 272.383 3.156 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@H]1CCCC1(F)F ZINC000883424048 636752176 /nfs/dbraw/zinc/75/21/76/636752176.db2.gz DCOLYWQYFHIPPQ-RLAWYHOSSA-N 2 1 272.383 3.156 20 0 CGADMP N[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1c1ccccc1 ZINC000883428620 636752551 /nfs/dbraw/zinc/75/25/51/636752551.db2.gz YNWLXUHSJBHYLC-OWCLPIDISA-N 2 1 294.389 3.239 20 0 CGADMP N[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1c1ccccc1 ZINC000883428620 636752555 /nfs/dbraw/zinc/75/25/55/636752555.db2.gz YNWLXUHSJBHYLC-OWCLPIDISA-N 2 1 294.389 3.239 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C[NH3+] ZINC000883433639 636752932 /nfs/dbraw/zinc/75/29/32/636752932.db2.gz VNYAAMNNIGRCGW-RQJABVFESA-N 2 1 274.399 3.117 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000883439560 636756201 /nfs/dbraw/zinc/75/62/01/636756201.db2.gz VEJKECQVGRRRJS-KSSFIOAISA-N 2 1 296.499 3.277 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(SC(F)(F)F)cc1 ZINC000133737760 636973704 /nfs/dbraw/zinc/97/37/04/636973704.db2.gz VCARVTGEDPPHJE-UHFFFAOYSA-N 2 1 278.343 3.079 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1F)C1CCC([NH3+])CC1 ZINC000136060256 637285945 /nfs/dbraw/zinc/28/59/45/637285945.db2.gz SUOOSECRLAROQZ-UHFFFAOYSA-N 2 1 270.779 3.181 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000885963605 637335696 /nfs/dbraw/zinc/33/56/96/637335696.db2.gz ONEWHHPLRSZYDU-MRXNPFEDSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000885963605 637335702 /nfs/dbraw/zinc/33/57/02/637335702.db2.gz ONEWHHPLRSZYDU-MRXNPFEDSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCCCC2)C[C@@H]1C ZINC000886032545 637375421 /nfs/dbraw/zinc/37/54/21/637375421.db2.gz IPGUHNSXABXJRT-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CCCCC2)C[C@@H]1C ZINC000886032545 637375431 /nfs/dbraw/zinc/37/54/31/637375431.db2.gz IPGUHNSXABXJRT-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CCCCC2)C[C@@H]1C ZINC000886032545 637375437 /nfs/dbraw/zinc/37/54/37/637375437.db2.gz IPGUHNSXABXJRT-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCc1c[nH+]cn1C ZINC000886422379 637527242 /nfs/dbraw/zinc/52/72/42/637527242.db2.gz NABVTYVVGXWYSO-GOSISDBHSA-N 2 1 285.435 3.210 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000886511184 637546655 /nfs/dbraw/zinc/54/66/55/637546655.db2.gz LQIVXLLBYSBMCT-LTIDMASMSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000886511184 637546668 /nfs/dbraw/zinc/54/66/68/637546668.db2.gz LQIVXLLBYSBMCT-LTIDMASMSA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886662984 637639935 /nfs/dbraw/zinc/63/99/35/637639935.db2.gz QTNSQWXCQLIZOF-UHFFFAOYSA-N 2 1 299.418 3.415 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3ccccc3)CC2)[nH+]c1C ZINC000886672542 637643994 /nfs/dbraw/zinc/64/39/94/637643994.db2.gz QJMMVVSTWVPYDU-UHFFFAOYSA-N 2 1 269.392 3.406 20 0 CGADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746261 637704550 /nfs/dbraw/zinc/70/45/50/637704550.db2.gz HMPSEUJGVRDFOP-KRWDZBQOSA-N 2 1 284.447 3.182 20 0 CGADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCC2)cnn1-c1ccccc1 ZINC000854221965 638025976 /nfs/dbraw/zinc/02/59/76/638025976.db2.gz BFHAPKZGGRCYFK-AWEZNQCLSA-N 2 1 298.434 3.103 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924618991 638377666 /nfs/dbraw/zinc/37/76/66/638377666.db2.gz CZBWTPYTYDQGKC-AJYUKVHDSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000924666646 638385620 /nfs/dbraw/zinc/38/56/20/638385620.db2.gz CGDKHRJGNXXKNO-RSIVFMTNSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@H+]1CCC[C@@H](C)C1 ZINC000924666646 638385625 /nfs/dbraw/zinc/38/56/25/638385625.db2.gz CGDKHRJGNXXKNO-RSIVFMTNSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924688144 638388951 /nfs/dbraw/zinc/38/89/51/638388951.db2.gz QYZYZVJRSXIUEK-KGLIPLIRSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@H]1CC2(CC([NH2+]C[C@H](C3CCCCC3)[NH+](C)C)C2)CO1 ZINC000924693747 638390059 /nfs/dbraw/zinc/39/00/59/638390059.db2.gz HVNNSAYDBJXLEK-FQXVJMBOSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000924711009 638393308 /nfs/dbraw/zinc/39/33/08/638393308.db2.gz DSVLKKJENHHODZ-UHFFFAOYSA-N 2 1 295.858 3.335 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000924720635 638394141 /nfs/dbraw/zinc/39/41/41/638394141.db2.gz JJMVGCUCLIOQPI-QWHCGFSZSA-N 2 1 279.428 3.064 20 0 CGADMP Cc1nc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cs1 ZINC000924723445 638395386 /nfs/dbraw/zinc/39/53/86/638395386.db2.gz RABNGQGEPBHSKZ-LBPRGKRZSA-N 2 1 289.448 3.364 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000924738628 638396786 /nfs/dbraw/zinc/39/67/86/638396786.db2.gz NDGNQMYFNUPGGV-SOLBZPMBSA-N 2 1 289.467 3.113 20 0 CGADMP C[N@H+](CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)C1CCCCC1 ZINC000924801696 638406754 /nfs/dbraw/zinc/40/67/54/638406754.db2.gz HXPCBDGNJBRRGR-VHRNVKJDSA-N 2 1 282.497 3.267 20 0 CGADMP C[N@@H+](CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)C1CCCCC1 ZINC000924801696 638406762 /nfs/dbraw/zinc/40/67/62/638406762.db2.gz HXPCBDGNJBRRGR-VHRNVKJDSA-N 2 1 282.497 3.267 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2cccc(C)c21 ZINC000924955025 638430448 /nfs/dbraw/zinc/43/04/48/638430448.db2.gz ZJDPXYKVKZVPQN-GUYCJALGSA-N 2 1 283.419 3.413 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@H]2CCC[C@@H]21 ZINC000857080653 638453339 /nfs/dbraw/zinc/45/33/39/638453339.db2.gz KBGASCHNPRYWSW-NDBYEHHHSA-N 2 1 291.266 3.033 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925514894 638516992 /nfs/dbraw/zinc/51/69/92/638516992.db2.gz GUIRFRAZVCBRIB-VBNZEHGJSA-N 2 1 274.408 3.006 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Sc1ccccc1 ZINC000925523729 638518716 /nfs/dbraw/zinc/51/87/16/638518716.db2.gz NZGFETJQZDKQAB-HIFRSBDPSA-N 2 1 276.449 3.041 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000925566361 638531722 /nfs/dbraw/zinc/53/17/22/638531722.db2.gz HFUNIGHKWJPDOE-UKRRQHHQSA-N 2 1 276.449 3.041 20 0 CGADMP CCOCCC1(C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CCC1 ZINC000925582454 638537144 /nfs/dbraw/zinc/53/71/44/638537144.db2.gz FHQFJFWJHCWBBX-WBVHZDCISA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)OC1CCC([NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925622242 638547917 /nfs/dbraw/zinc/54/79/17/638547917.db2.gz MNRHPVDULVCNKN-KUQKPQIMSA-N 2 1 290.451 3.401 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccccc1 ZINC000925660310 638560653 /nfs/dbraw/zinc/56/06/53/638560653.db2.gz KXVZKPMIZUAONX-AUUYWEPGSA-N 2 1 293.414 3.389 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cccc(C2CC2)c1 ZINC000925676684 638566146 /nfs/dbraw/zinc/56/61/46/638566146.db2.gz SMDBDHSFNFIRRA-ARHYUZGJSA-N 2 1 282.431 3.211 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C12CCC2 ZINC000925731019 638585617 /nfs/dbraw/zinc/58/56/17/638585617.db2.gz RIBZQLFGHCOWHD-UWVGGRQHSA-N 2 1 290.354 3.126 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1 ZINC000925734996 638588422 /nfs/dbraw/zinc/58/84/22/638588422.db2.gz WVSCDUSCAJVDPT-DGCLKSJQSA-N 2 1 268.351 3.100 20 0 CGADMP CSC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCCCC1 ZINC000925776445 638608352 /nfs/dbraw/zinc/60/83/52/638608352.db2.gz GUYJQPAMJQGPBE-GFCCVEGCSA-N 2 1 279.453 3.211 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925780809 638611884 /nfs/dbraw/zinc/61/18/84/638611884.db2.gz HAHSUMLHDQKBNJ-AAEUAGOBSA-N 2 1 298.377 3.128 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000925784266 638612569 /nfs/dbraw/zinc/61/25/69/638612569.db2.gz IMATVQKHOLVIEV-WQGACYEGSA-N 2 1 282.378 3.107 20 0 CGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1F ZINC000925840160 638630278 /nfs/dbraw/zinc/63/02/78/638630278.db2.gz HIDKUIQHCJWAMP-APHBMKBZSA-N 2 1 262.372 3.009 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C/C=C\c2ccccc2)CC1(C)C ZINC000858135421 638639442 /nfs/dbraw/zinc/63/94/42/638639442.db2.gz UMQNXEHNSNEYCN-BSDKJSHOSA-N 2 1 258.409 3.162 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000858157988 638646465 /nfs/dbraw/zinc/64/64/65/638646465.db2.gz XEEJIZLOOSZBTK-TZMCWYRMSA-N 2 1 293.480 3.291 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000858157988 638646470 /nfs/dbraw/zinc/64/64/70/638646470.db2.gz XEEJIZLOOSZBTK-TZMCWYRMSA-N 2 1 293.480 3.291 20 0 CGADMP CC[N@@H+](CCC[NH2+]C1[C@@H](C)COC[C@@H]1C)C1CCCCC1 ZINC000926652453 638795217 /nfs/dbraw/zinc/79/52/17/638795217.db2.gz SYCHNBRMBCXGSM-HOTGVXAUSA-N 2 1 296.499 3.292 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739724 638805883 /nfs/dbraw/zinc/80/58/83/638805883.db2.gz XXFGGPUKRWAFKD-XYTVBORESA-N 2 1 294.508 3.125 20 0 CGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000926785505 638811723 /nfs/dbraw/zinc/81/17/23/638811723.db2.gz MBPLJGLHLSHZJL-JJXSXHAKSA-N 2 1 294.483 3.043 20 0 CGADMP COC/C(C)=C\CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000929644299 638937158 /nfs/dbraw/zinc/93/71/58/638937158.db2.gz PDCSFNKMKHEACJ-FHMFCWSGSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C\C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000929644299 638937160 /nfs/dbraw/zinc/93/71/60/638937160.db2.gz PDCSFNKMKHEACJ-FHMFCWSGSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C\C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000929644299 638937161 /nfs/dbraw/zinc/93/71/61/638937161.db2.gz PDCSFNKMKHEACJ-FHMFCWSGSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C\C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000929644299 638937163 /nfs/dbraw/zinc/93/71/63/638937163.db2.gz PDCSFNKMKHEACJ-FHMFCWSGSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C\C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000929644299 638937165 /nfs/dbraw/zinc/93/71/65/638937165.db2.gz PDCSFNKMKHEACJ-FHMFCWSGSA-N 2 1 294.483 3.166 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CC/C=C/c3ccccc3)C[C@]2(C)C1 ZINC000931313665 639133421 /nfs/dbraw/zinc/13/34/21/639133421.db2.gz FEKVNPGPUWHGFT-BZZHFGAJSA-N 2 1 284.447 3.364 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CC/C=C/c3ccccc3)C[C@]2(C)C1 ZINC000931313665 639133424 /nfs/dbraw/zinc/13/34/24/639133424.db2.gz FEKVNPGPUWHGFT-BZZHFGAJSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CC/C=C/c3ccccc3)C[C@]2(C)C1 ZINC000931313665 639133426 /nfs/dbraw/zinc/13/34/26/639133426.db2.gz FEKVNPGPUWHGFT-BZZHFGAJSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CC/C=C/c3ccccc3)C[C@]2(C)C1 ZINC000931313665 639133431 /nfs/dbraw/zinc/13/34/31/639133431.db2.gz FEKVNPGPUWHGFT-BZZHFGAJSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](CCCc2ccsc2)CC1 ZINC000931353930 639139883 /nfs/dbraw/zinc/13/98/83/639139883.db2.gz HGQZCYMVKMIEFC-UHFFFAOYSA-N 2 1 266.454 3.097 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC000931470051 639156891 /nfs/dbraw/zinc/15/68/91/639156891.db2.gz AKVKMXZKFXTTBQ-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931928736 639234709 /nfs/dbraw/zinc/23/47/09/639234709.db2.gz KTXYUIHDUAGRNH-QRVBRYPASA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931928736 639234716 /nfs/dbraw/zinc/23/47/16/639234716.db2.gz KTXYUIHDUAGRNH-QRVBRYPASA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931928736 639234722 /nfs/dbraw/zinc/23/47/22/639234722.db2.gz KTXYUIHDUAGRNH-QRVBRYPASA-N 2 1 284.447 3.134 20 0 CGADMP Cn1cncc1CC[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932922764 639399661 /nfs/dbraw/zinc/39/96/61/639399661.db2.gz NGGJACPTDHUSHN-INIZCTEOSA-N 2 1 289.448 3.121 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933082813 639414761 /nfs/dbraw/zinc/41/47/61/639414761.db2.gz ZEPPQYZQENTOAZ-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000247213898 640712608 /nfs/dbraw/zinc/71/26/08/640712608.db2.gz XDZQHIOYXWJFKG-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000091661175 640718347 /nfs/dbraw/zinc/71/83/47/640718347.db2.gz HTHUDZHMTSUVJA-MRXNPFEDSA-N 2 1 287.451 3.312 20 0 CGADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)c2ccccc2n1 ZINC000092346058 640734686 /nfs/dbraw/zinc/73/46/86/640734686.db2.gz VRBMVDPGCQLZPG-UHFFFAOYSA-N 2 1 283.419 3.245 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251766127 640832239 /nfs/dbraw/zinc/83/22/39/640832239.db2.gz MDXXUTZUDXKZPI-UYTSQGDYSA-N 2 1 250.430 3.172 20 0 CGADMP c1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]c2c1CCC2 ZINC001165046057 721968658 /nfs/dbraw/zinc/96/86/58/721968658.db2.gz ABDPJVWQEAKRKZ-QGZVFWFLSA-N 2 1 299.462 3.415 20 0 CGADMP CC[NH+](CC)C1CCN(c2cc(C3CC3)cc[nH+]2)CC1 ZINC001165054073 722003687 /nfs/dbraw/zinc/00/36/87/722003687.db2.gz YQDJNBWQIREEGW-UHFFFAOYSA-N 2 1 273.424 3.270 20 0 CGADMP Cc1c[nH+]c(N2CCC(C)([NH+]3CCCC3)CC2)cc1C ZINC001157658082 805846716 /nfs/dbraw/zinc/84/67/16/805846716.db2.gz AMDAISGIEUADJR-UHFFFAOYSA-N 2 1 273.424 3.153 20 0 CGADMP c1[nH]c2ccc(Nc3ccc([C@H]4CC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159775831 806170929 /nfs/dbraw/zinc/17/09/29/806170929.db2.gz NDVGWQXXSWPNED-ZDUSSCGKSA-N 2 1 278.359 3.383 20 0 CGADMP c1cc2cc(Nc3ccc4c(c3)C[NH2+]CCO4)ccc2c[nH+]1 ZINC001159797047 806176442 /nfs/dbraw/zinc/17/64/42/806176442.db2.gz QLQHJTAVBJRASF-UHFFFAOYSA-N 2 1 291.354 3.460 20 0 CGADMP CCc1ccc([C@@H](CC)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253411409 806217097 /nfs/dbraw/zinc/21/70/97/806217097.db2.gz LPJWUKOSOOIQHW-DLBZAZTESA-N 2 1 292.467 3.039 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC001254208169 806364831 /nfs/dbraw/zinc/36/48/31/806364831.db2.gz WPSYXDVECSLSGG-UHFFFAOYSA-N 2 1 262.388 3.276 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@H](C)C1 ZINC001254216864 806370222 /nfs/dbraw/zinc/37/02/22/806370222.db2.gz NXNACMNDMKBXNO-TZMCWYRMSA-N 2 1 274.399 3.273 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC001254504259 806422477 /nfs/dbraw/zinc/42/24/77/806422477.db2.gz STORLHGGARCLRY-OAHLLOKOSA-N 2 1 278.827 3.403 20 0 CGADMP COc1ccc(C(C)(C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254504281 806422667 /nfs/dbraw/zinc/42/26/67/806422667.db2.gz SUVNRPYWAHFKTA-OAHLLOKOSA-N 2 1 276.424 3.004 20 0 CGADMP Cc1ccc(C(C)(C)[NH2+][C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254505033 806424148 /nfs/dbraw/zinc/42/41/48/806424148.db2.gz YDGLZDKPXYFYPM-INIZCTEOSA-N 2 1 260.425 3.304 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254508239 806427089 /nfs/dbraw/zinc/42/70/89/806427089.db2.gz PQNYNYWLFWOQJE-HOTGVXAUSA-N 2 1 260.425 3.438 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254508736 806427509 /nfs/dbraw/zinc/42/75/09/806427509.db2.gz LFUGWXKDMYAKKF-HWOWSKLDSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1C ZINC001254507127 806428122 /nfs/dbraw/zinc/42/81/22/806428122.db2.gz HCWQZMWKBIPQSX-DOTOQJQBSA-N 2 1 260.425 3.438 20 0 CGADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254507195 806428580 /nfs/dbraw/zinc/42/85/80/806428580.db2.gz JIYVKBFFUMORIC-GOEBONIOSA-N 2 1 298.434 3.227 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001254510357 806429573 /nfs/dbraw/zinc/42/95/73/806429573.db2.gz NLXMPUJYBLPMNW-KRWDZBQOSA-N 2 1 290.426 3.222 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001254511100 806430935 /nfs/dbraw/zinc/43/09/35/806430935.db2.gz VHCMLWZBVNDTCX-HZPDHXFCSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)CC1 ZINC001254514128 806434234 /nfs/dbraw/zinc/43/42/34/806434234.db2.gz JFCFJECPHLUHLX-IRXDYDNUSA-N 2 1 272.436 3.180 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001254513531 806434854 /nfs/dbraw/zinc/43/48/54/806434854.db2.gz DAHCDZAUJJTGDZ-CXAGYDPISA-N 2 1 294.389 3.416 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(Oc3ccccc3)CC2)CC1 ZINC001254516761 806436374 /nfs/dbraw/zinc/43/63/74/806436374.db2.gz OVCVDFASPSLRKN-MRXNPFEDSA-N 2 1 288.435 3.014 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)CC1 ZINC001254519102 806436750 /nfs/dbraw/zinc/43/67/50/806436750.db2.gz GQYIAVUBLIAPSQ-GOSISDBHSA-N 2 1 298.474 3.451 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524606 806437671 /nfs/dbraw/zinc/43/76/71/806437671.db2.gz XQIBYFOZBCSARA-IRXDYDNUSA-N 2 1 273.424 3.093 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524606 806437674 /nfs/dbraw/zinc/43/76/74/806437674.db2.gz XQIBYFOZBCSARA-IRXDYDNUSA-N 2 1 273.424 3.093 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524606 806437679 /nfs/dbraw/zinc/43/76/79/806437679.db2.gz XQIBYFOZBCSARA-IRXDYDNUSA-N 2 1 273.424 3.093 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524783 806439904 /nfs/dbraw/zinc/43/99/04/806439904.db2.gz ZIKIQYDVPXAAHJ-CABCVRRESA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524783 806439909 /nfs/dbraw/zinc/43/99/09/806439909.db2.gz ZIKIQYDVPXAAHJ-CABCVRRESA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524783 806439914 /nfs/dbraw/zinc/43/99/14/806439914.db2.gz ZIKIQYDVPXAAHJ-CABCVRRESA-N 2 1 276.399 3.099 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530279 806441300 /nfs/dbraw/zinc/44/13/00/806441300.db2.gz WISJVGSVCZECPN-PCKAHOCUSA-N 2 1 268.420 3.075 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530279 806441305 /nfs/dbraw/zinc/44/13/05/806441305.db2.gz WISJVGSVCZECPN-PCKAHOCUSA-N 2 1 268.420 3.075 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530279 806441311 /nfs/dbraw/zinc/44/13/11/806441311.db2.gz WISJVGSVCZECPN-PCKAHOCUSA-N 2 1 268.420 3.075 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530279 806441316 /nfs/dbraw/zinc/44/13/16/806441316.db2.gz WISJVGSVCZECPN-PCKAHOCUSA-N 2 1 268.420 3.075 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001255142374 806553184 /nfs/dbraw/zinc/55/31/84/806553184.db2.gz PZYASPJMQRXISA-DQCOHUIHSA-N 2 1 282.431 3.134 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(C(C)(C)C)cc[nH+]1 ZINC001162469696 806593044 /nfs/dbraw/zinc/59/30/44/806593044.db2.gz CSRVXAJKJLVYBK-KGLIPLIRSA-N 2 1 275.440 3.427 20 0 CGADMP CCCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001255330194 806616731 /nfs/dbraw/zinc/61/67/31/806616731.db2.gz RONQSAAVUKBZBR-RDJZCZTQSA-N 2 1 282.472 3.140 20 0 CGADMP FC1CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255377027 806628722 /nfs/dbraw/zinc/62/87/22/806628722.db2.gz DPZFSUXXYPRDHC-AQFXKWCLSA-N 2 1 276.399 3.131 20 0 CGADMP CSCC[N@@H+](C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410570 806635067 /nfs/dbraw/zinc/63/50/67/806635067.db2.gz ZEWIQWJQUZEOEV-QGZVFWFLSA-N 2 1 292.492 3.336 20 0 CGADMP CSCC[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410570 806635075 /nfs/dbraw/zinc/63/50/75/806635075.db2.gz ZEWIQWJQUZEOEV-QGZVFWFLSA-N 2 1 292.492 3.336 20 0 CGADMP CSCC[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410570 806635082 /nfs/dbraw/zinc/63/50/82/806635082.db2.gz ZEWIQWJQUZEOEV-QGZVFWFLSA-N 2 1 292.492 3.336 20 0 CGADMP C[C@H](CC(F)(F)F)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255646313 806692639 /nfs/dbraw/zinc/69/26/39/806692639.db2.gz PLDQJXQUTMBHHE-VXGBXAGGSA-N 2 1 266.351 3.168 20 0 CGADMP CC(C)[NH+]1CCC(NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000037901076 798879237 /nfs/dbraw/zinc/87/92/37/798879237.db2.gz FGFXARMEVCYJAV-UHFFFAOYSA-N 2 1 295.515 3.103 20 0 CGADMP CCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037996979 798883252 /nfs/dbraw/zinc/88/32/52/798883252.db2.gz ZLVLVORMYWEQKN-INIZCTEOSA-N 2 1 288.435 3.049 20 0 CGADMP CCCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037996980 798884000 /nfs/dbraw/zinc/88/40/00/798884000.db2.gz ZLVLVORMYWEQKN-MRXNPFEDSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001255673441 806701046 /nfs/dbraw/zinc/70/10/46/806701046.db2.gz AESFLIAWESMNNY-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001255673441 806701052 /nfs/dbraw/zinc/70/10/52/806701052.db2.gz AESFLIAWESMNNY-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1(F)F ZINC001255673441 806701055 /nfs/dbraw/zinc/70/10/55/806701055.db2.gz AESFLIAWESMNNY-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1(F)F ZINC001255673441 806701061 /nfs/dbraw/zinc/70/10/61/806701061.db2.gz AESFLIAWESMNNY-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255690343 806706442 /nfs/dbraw/zinc/70/64/42/806706442.db2.gz UPFJAJQVQBPJNT-NEPJUHHUSA-N 2 1 266.351 3.167 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000154682367 799060950 /nfs/dbraw/zinc/06/09/50/799060950.db2.gz GBGKNMJBIQHTFO-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC000309743341 799220206 /nfs/dbraw/zinc/22/02/06/799220206.db2.gz WTKMRKSDPYDYIX-YTQUADARSA-N 2 1 293.414 3.404 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000310477850 799221671 /nfs/dbraw/zinc/22/16/71/799221671.db2.gz CEPXREGYKBLBLZ-ZDUSSCGKSA-N 2 1 297.240 3.010 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000310477850 799221674 /nfs/dbraw/zinc/22/16/74/799221674.db2.gz CEPXREGYKBLBLZ-ZDUSSCGKSA-N 2 1 297.240 3.010 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CC2CCC1CC2)C1CCCC1 ZINC000382233570 799394458 /nfs/dbraw/zinc/39/44/58/799394458.db2.gz HKCGVGPHSIGHNO-XUJLQICISA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CC2CCC1CC2)C1CCCC1 ZINC000382233570 799394465 /nfs/dbraw/zinc/39/44/65/799394465.db2.gz HKCGVGPHSIGHNO-XUJLQICISA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000382834165 799398400 /nfs/dbraw/zinc/39/84/00/799398400.db2.gz MDLKYLSOZUDBTQ-XJKCOSOUSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000382834165 799398408 /nfs/dbraw/zinc/39/84/08/799398408.db2.gz MDLKYLSOZUDBTQ-XJKCOSOUSA-N 2 1 280.843 3.201 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000383997633 799411001 /nfs/dbraw/zinc/41/10/01/799411001.db2.gz KIMYTSIFYLLKRW-CYBMUJFWSA-N 2 1 286.341 3.266 20 0 CGADMP Cc1ccc(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)[nH+]c1C ZINC001163362383 806747543 /nfs/dbraw/zinc/74/75/43/806747543.db2.gz MZHJBVZIIPTQSL-DZGCQCFKSA-N 2 1 261.413 3.229 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000385199274 799423730 /nfs/dbraw/zinc/42/37/30/799423730.db2.gz QKILXOPNXIOSCT-MRXNPFEDSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000385199274 799423735 /nfs/dbraw/zinc/42/37/35/799423735.db2.gz QKILXOPNXIOSCT-MRXNPFEDSA-N 2 1 280.415 3.395 20 0 CGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000387310800 799445637 /nfs/dbraw/zinc/44/56/37/799445637.db2.gz AXLPDXIDCZJWGU-UAGQMJEPSA-N 2 1 260.425 3.415 20 0 CGADMP Cc1[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc2[nH]ccc21 ZINC001163365684 806748925 /nfs/dbraw/zinc/74/89/25/806748925.db2.gz MHNCFBLZHIRSRL-SWLSCSKDSA-N 2 1 286.423 3.402 20 0 CGADMP Cc1[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)cc2[nH]ccc21 ZINC001163365682 806749763 /nfs/dbraw/zinc/74/97/63/806749763.db2.gz MHNCFBLZHIRSRL-DOMZBBRYSA-N 2 1 286.423 3.402 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396722240 799509948 /nfs/dbraw/zinc/50/99/48/799509948.db2.gz ULAQQKCJOZHDFB-LALPHHSUSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[Si](C)(C)C ZINC000401529759 799555834 /nfs/dbraw/zinc/55/58/34/799555834.db2.gz AFGOBJINFPIHSG-NVXWUHKLSA-N 2 1 290.527 3.364 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[Si](C)(C)C ZINC000401529759 799555837 /nfs/dbraw/zinc/55/58/37/799555837.db2.gz AFGOBJINFPIHSG-NVXWUHKLSA-N 2 1 290.527 3.364 20 0 CGADMP C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000687964934 799742612 /nfs/dbraw/zinc/74/26/12/799742612.db2.gz YQSWIJJXMDNHFZ-VXGBXAGGSA-N 2 1 264.438 3.014 20 0 CGADMP CC(C)C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C(C)C ZINC000687980931 799743021 /nfs/dbraw/zinc/74/30/21/799743021.db2.gz YSHYIENWLAUJAF-UHFFFAOYSA-N 2 1 266.454 3.260 20 0 CGADMP ClC(Cl)=CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692911432 799803090 /nfs/dbraw/zinc/80/30/90/799803090.db2.gz CMIKPVWIGIDPBZ-GFCCVEGCSA-N 2 1 277.239 3.017 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000697904174 799849485 /nfs/dbraw/zinc/84/94/85/799849485.db2.gz NBVJBLQNUKDAPZ-STQMWFEESA-N 2 1 260.381 3.424 20 0 CGADMP [NH3+]C1(c2cccnc2)CC[NH+](C2CCCCCC2)CC1 ZINC001255883018 806782543 /nfs/dbraw/zinc/78/25/43/806782543.db2.gz PRXDZPPZFQOEAC-UHFFFAOYSA-N 2 1 273.424 3.054 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000699298930 799858776 /nfs/dbraw/zinc/85/87/76/799858776.db2.gz DYORGERSHKGYGQ-ZCJOQKPTSA-N 2 1 262.441 3.029 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000700815381 799880871 /nfs/dbraw/zinc/88/08/71/799880871.db2.gz FSNDVLAXVKNKIQ-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH+]1C(C)(C)CC([NH3+])CC1(C)C ZINC001255945899 806792797 /nfs/dbraw/zinc/79/27/97/806792797.db2.gz PEPKFTIMEKJRPP-AWEZNQCLSA-N 3 1 283.504 3.087 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708848591 799996766 /nfs/dbraw/zinc/99/67/66/799996766.db2.gz FZYUHGDTKXQEBN-BBWFWOEESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@]12C[C@H]1CCCC2 ZINC000709123905 800005010 /nfs/dbraw/zinc/00/50/10/800005010.db2.gz GEGVRMMUTDNTPY-VBQJREDUSA-N 2 1 262.441 3.172 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001255957668 806800624 /nfs/dbraw/zinc/80/06/24/806800624.db2.gz UHTZBNYCPYAJCE-NVXWUHKLSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001255957668 806800633 /nfs/dbraw/zinc/80/06/33/806800633.db2.gz UHTZBNYCPYAJCE-NVXWUHKLSA-N 2 1 275.440 3.339 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709806491 800018090 /nfs/dbraw/zinc/01/80/90/800018090.db2.gz DJELYGMQCQJXRV-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)c(F)c1 ZINC000710800763 800040509 /nfs/dbraw/zinc/04/05/09/800040509.db2.gz YLFPWYNGIFTUQA-UHFFFAOYSA-N 2 1 272.795 3.430 20 0 CGADMP COc1ccc(C[C@@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710841774 800040520 /nfs/dbraw/zinc/04/05/20/800040520.db2.gz JAQQJDLBPTXVIY-OAHLLOKOSA-N 2 1 278.440 3.077 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2ccc(C)cc2C1 ZINC001255955838 806798932 /nfs/dbraw/zinc/79/89/32/806798932.db2.gz FGNJYLMBZGANHH-MRXNPFEDSA-N 2 1 274.452 3.474 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2ccc(C)cc2C1 ZINC001255955838 806798939 /nfs/dbraw/zinc/79/89/39/806798939.db2.gz FGNJYLMBZGANHH-MRXNPFEDSA-N 2 1 274.452 3.474 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001255958550 806799500 /nfs/dbraw/zinc/79/95/00/806799500.db2.gz CQVBBKRSZIZYKI-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001255958550 806799502 /nfs/dbraw/zinc/79/95/02/806799502.db2.gz CQVBBKRSZIZYKI-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1c2sccc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000712337858 800083573 /nfs/dbraw/zinc/08/35/73/800083573.db2.gz PDINSTLPBZRPNX-GFCCVEGCSA-N 2 1 264.438 3.057 20 0 CGADMP C[C@H]1c2sccc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000712348637 800084579 /nfs/dbraw/zinc/08/45/79/800084579.db2.gz LYSUKOBNERBZPI-QWHCGFSZSA-N 2 1 264.438 3.057 20 0 CGADMP CCCOc1cccc(C[NH+]2CCC([NH3+])(CC)CC2)c1 ZINC000714754238 800128632 /nfs/dbraw/zinc/12/86/32/800128632.db2.gz QRFVCVFFOOYQND-UHFFFAOYSA-N 2 1 276.424 3.179 20 0 CGADMP COc1ccc(C(C)(C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256069162 806809098 /nfs/dbraw/zinc/80/90/98/806809098.db2.gz TTXHQFXLSDSNSA-UHFFFAOYSA-N 2 1 288.435 3.147 20 0 CGADMP Cc1ccc(C)c(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256065837 806809551 /nfs/dbraw/zinc/80/95/51/806809551.db2.gz HOFHQKMWNLMEGU-UHFFFAOYSA-N 2 1 272.436 3.062 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000720870510 800269644 /nfs/dbraw/zinc/26/96/44/800269644.db2.gz IYVWMIBWQDSMSL-IACUBPJLSA-N 2 1 286.341 3.125 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@H]1C ZINC000721500330 800290613 /nfs/dbraw/zinc/29/06/13/800290613.db2.gz DNQSAROKAPTPRH-KNCCTNLNSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@H]1C ZINC000721500330 800290616 /nfs/dbraw/zinc/29/06/16/800290616.db2.gz DNQSAROKAPTPRH-KNCCTNLNSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000723608838 800329692 /nfs/dbraw/zinc/32/96/92/800329692.db2.gz SBDZJADQTCSYHG-GVRJEKJASA-N 2 1 250.430 3.075 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723574435 800330142 /nfs/dbraw/zinc/33/01/42/800330142.db2.gz RBOMERWQJXZEES-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723690971 800337909 /nfs/dbraw/zinc/33/79/09/800337909.db2.gz CTZJUNAKKSGJQU-WFASDCNBSA-N 2 1 266.816 3.462 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000822123877 800460074 /nfs/dbraw/zinc/46/00/74/800460074.db2.gz GURIPYNJWOZIJQ-DLBZAZTESA-N 2 1 260.425 3.082 20 0 CGADMP [NH2+]=C(Nc1cccc(C[NH3+])n1)C12CC3CC(CC(C3)C1)C2 ZINC001163848632 806837079 /nfs/dbraw/zinc/83/70/79/806837079.db2.gz SPIRCGKMMWVXBB-UHFFFAOYSA-N 2 1 284.407 3.146 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257477044 807175128 /nfs/dbraw/zinc/17/51/28/807175128.db2.gz ICXMFQRQGGZBMX-NXOAAHMSSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257477044 807175134 /nfs/dbraw/zinc/17/51/34/807175134.db2.gz ICXMFQRQGGZBMX-NXOAAHMSSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257477044 807175141 /nfs/dbraw/zinc/17/51/41/807175141.db2.gz ICXMFQRQGGZBMX-NXOAAHMSSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000897417961 800590927 /nfs/dbraw/zinc/59/09/27/800590927.db2.gz HVANPRSEHPMBIZ-CJNGLKHVSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccc2cccc(CC[NH2+]C3CC[NH+](C)CC3)c2c1 ZINC001256199602 806847016 /nfs/dbraw/zinc/84/70/16/806847016.db2.gz FKMPBQAHMDIRRP-UHFFFAOYSA-N 2 1 298.430 3.075 20 0 CGADMP C[NH+]1CCC([NH2+]CCSCc2ccccc2Cl)CC1 ZINC001256195439 806847144 /nfs/dbraw/zinc/84/71/44/806847144.db2.gz VKSVZSGMEKYLCL-UHFFFAOYSA-N 2 1 298.883 3.257 20 0 CGADMP Cc1ccc(CC(C)(C)C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC001256198843 806847739 /nfs/dbraw/zinc/84/77/39/806847739.db2.gz BGZPKXVHAARNAK-UHFFFAOYSA-N 2 1 274.452 3.248 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(Cc3ccccc3F)CC2)CC1 ZINC001256207642 806849304 /nfs/dbraw/zinc/84/93/04/806849304.db2.gz QNIOCQHHGKBLNS-UHFFFAOYSA-N 2 1 290.426 3.174 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1CCN(C)CC1 ZINC001256202353 806850424 /nfs/dbraw/zinc/85/04/24/806850424.db2.gz DWQPWIGSPBBTLA-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH+]1CCC([NH2+]CC(C)(C)Cc2cccc(F)c2)CC1 ZINC001256201249 806850455 /nfs/dbraw/zinc/85/04/55/806850455.db2.gz AFFYTDLKIFFWRZ-UHFFFAOYSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1ccc2c(cc[nH+]c2N(CCC[NH3+])C(C)C)c1 ZINC001164122660 806897069 /nfs/dbraw/zinc/89/70/69/806897069.db2.gz LSCDCJJAIMPWIL-UHFFFAOYSA-N 2 1 257.381 3.107 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC001256561596 806916293 /nfs/dbraw/zinc/91/62/93/806916293.db2.gz ATKDDGSMDCHPGO-KRWDZBQOSA-N 2 1 287.451 3.312 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256695231 806950029 /nfs/dbraw/zinc/95/00/29/806950029.db2.gz RMCZNOAAJHVVIW-LXPRWKDFSA-N 2 1 294.483 3.284 20 0 CGADMP Cc1cccc2cc[nH+]c(N3C[C@H](C[NH3+])CC[C@H]3C)c12 ZINC001164474795 806951387 /nfs/dbraw/zinc/95/13/87/806951387.db2.gz VOCQFPRBNHKXHT-KGLIPLIRSA-N 2 1 269.392 3.107 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccs2)C1 ZINC001116288632 802323600 /nfs/dbraw/zinc/32/36/00/802323600.db2.gz LPFVOPUZRYTJSC-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC001117633123 802472961 /nfs/dbraw/zinc/47/29/61/802472961.db2.gz NVDORJTVRIMLDN-HOTGVXAUSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC001117633123 802472964 /nfs/dbraw/zinc/47/29/64/802472964.db2.gz NVDORJTVRIMLDN-HOTGVXAUSA-N 2 1 262.441 3.244 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cc(F)ccc1F ZINC001118057279 802521375 /nfs/dbraw/zinc/52/13/75/802521375.db2.gz CBTHLBURJYURFL-YGRLFVJLSA-N 2 1 256.340 3.004 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263524 802543337 /nfs/dbraw/zinc/54/33/37/802543337.db2.gz IQHNWMRMLWMKQJ-AWEZNQCLSA-N 2 1 276.399 3.352 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1C1CC1)C2 ZINC001275414021 808935018 /nfs/dbraw/zinc/93/50/18/808935018.db2.gz QIOISUROSHHRCT-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1C1CC1)C2 ZINC001275414021 808935025 /nfs/dbraw/zinc/93/50/25/808935025.db2.gz QIOISUROSHHRCT-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001275414021 808935035 /nfs/dbraw/zinc/93/50/35/808935035.db2.gz QIOISUROSHHRCT-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C1[C@@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C12CCCC2 ZINC001256908870 807007339 /nfs/dbraw/zinc/00/73/39/807007339.db2.gz QVORQJZZBQILMU-GOEBONIOSA-N 2 1 262.441 3.316 20 0 CGADMP C1[C@@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C12CCCC2 ZINC001256908870 807007345 /nfs/dbraw/zinc/00/73/45/807007345.db2.gz QVORQJZZBQILMU-GOEBONIOSA-N 2 1 262.441 3.316 20 0 CGADMP C([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCSCC1 ZINC001256909188 807007544 /nfs/dbraw/zinc/00/75/44/807007544.db2.gz RMJDERMXJWYPGZ-HNNXBMFYSA-N 2 1 282.497 3.126 20 0 CGADMP C([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1CCSCC1 ZINC001256909188 807007553 /nfs/dbraw/zinc/00/75/53/807007553.db2.gz RMJDERMXJWYPGZ-HNNXBMFYSA-N 2 1 282.497 3.126 20 0 CGADMP CCc1ccc(NC2CCC(C)([NH+](C)C)CC2)[nH+]c1 ZINC001120954260 802797265 /nfs/dbraw/zinc/79/72/65/802797265.db2.gz HOSYSEYXNKLQQO-UHFFFAOYSA-N 2 1 261.413 3.319 20 0 CGADMP CC1(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CCC1 ZINC001256901554 807002443 /nfs/dbraw/zinc/00/24/43/807002443.db2.gz XYUYASCURMSJPI-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CCC1 ZINC001256901554 807002447 /nfs/dbraw/zinc/00/24/47/807002447.db2.gz XYUYASCURMSJPI-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1cccc(C(=[NH2+])N[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256905458 807007985 /nfs/dbraw/zinc/00/79/85/807007985.db2.gz RPKJZXUMIWMIFP-MRXNPFEDSA-N 2 1 285.435 3.317 20 0 CGADMP Cc1csc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205306745 812945194 /nfs/dbraw/zinc/94/51/94/812945194.db2.gz ZPTUVZPNTDKANV-GXSJLCMTSA-N 2 1 272.845 3.127 20 0 CGADMP Cc1csc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205306745 812945202 /nfs/dbraw/zinc/94/52/02/812945202.db2.gz ZPTUVZPNTDKANV-GXSJLCMTSA-N 2 1 272.845 3.127 20 0 CGADMP C[NH+](C)Cc1cccc(-c2ccc3[nH]c(N)[nH+]c3c2)c1F ZINC001244863379 803554529 /nfs/dbraw/zinc/55/45/29/803554529.db2.gz JFVWRPIIASXCCY-UHFFFAOYSA-N 2 1 284.338 3.013 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccn1 ZINC001137413094 803730931 /nfs/dbraw/zinc/73/09/31/803730931.db2.gz XHRBQGHZASSCTP-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccn1 ZINC001137413094 803730933 /nfs/dbraw/zinc/73/09/33/803730933.db2.gz XHRBQGHZASSCTP-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)c(F)cc3F)C2)CC1 ZINC001137892547 803797047 /nfs/dbraw/zinc/79/70/47/803797047.db2.gz XGFYEZHRZRIFRF-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)c(F)cc3F)C2)CC1 ZINC001137892547 803797050 /nfs/dbraw/zinc/79/70/50/803797050.db2.gz XGFYEZHRZRIFRF-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccc(O)c3ccccc23)CC1 ZINC001138054290 803840974 /nfs/dbraw/zinc/84/09/74/803840974.db2.gz CVYNNXGTMYSUOF-UHFFFAOYSA-N 2 1 284.403 3.071 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@@H]3C[NH+](CCC)C[C@H]3C2)s1 ZINC001138528257 803960911 /nfs/dbraw/zinc/96/09/11/803960911.db2.gz QUTICEWJAJKVLY-GJZGRUSLSA-N 2 1 292.492 3.474 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC001138542701 803964615 /nfs/dbraw/zinc/96/46/15/803964615.db2.gz FNVDLVWFPOSQKA-IRXDYDNUSA-N 2 1 281.403 3.413 20 0 CGADMP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246072023 804110537 /nfs/dbraw/zinc/11/05/37/804110537.db2.gz OEEQRYXOSIEWBS-OALUTQOASA-N 2 1 298.405 3.279 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC001139063868 804120817 /nfs/dbraw/zinc/12/08/17/804120817.db2.gz BCMUQAOLXPNUBU-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC001139063868 804120823 /nfs/dbraw/zinc/12/08/23/804120823.db2.gz BCMUQAOLXPNUBU-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC001139063868 804120826 /nfs/dbraw/zinc/12/08/26/804120826.db2.gz BCMUQAOLXPNUBU-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC001139063868 804120831 /nfs/dbraw/zinc/12/08/31/804120831.db2.gz BCMUQAOLXPNUBU-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246098141 804129987 /nfs/dbraw/zinc/12/99/87/804129987.db2.gz PHZOHSUTACKZJA-NXHRZFHOSA-N 2 1 274.452 3.231 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106253 804138714 /nfs/dbraw/zinc/13/87/14/804138714.db2.gz OSLISGIHBLCSAH-IOASZLSFSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)[NH2+]C1 ZINC001246107642 804140506 /nfs/dbraw/zinc/14/05/06/804140506.db2.gz STJGINAYMBQOSU-BPLDGKMQSA-N 2 1 292.854 3.175 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113380 804144469 /nfs/dbraw/zinc/14/44/69/804144469.db2.gz NZTZIVVYKGTWAH-MSOLQXFVSA-N 2 1 292.442 3.469 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246116966 804147972 /nfs/dbraw/zinc/14/79/72/804147972.db2.gz XZHHONGYNWKHQJ-UYSNPLJNSA-N 2 1 270.436 3.273 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C[C@@]2(F)CCCC[NH2+]C2)C1 ZINC001246116162 804148232 /nfs/dbraw/zinc/14/82/32/804148232.db2.gz VBPSDECQVMIDIJ-DZGCQCFKSA-N 2 1 256.409 3.027 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4cccnc4c3)C[C@H]2C1 ZINC001139171325 804150437 /nfs/dbraw/zinc/15/04/37/804150437.db2.gz RQVQTWJSFRCSPJ-QZTJIDSGSA-N 2 1 295.430 3.008 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246119073 804151837 /nfs/dbraw/zinc/15/18/37/804151837.db2.gz AWNVFEPWPPCSNH-ULQDDVLXSA-N 2 1 258.409 3.054 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3C[NH2+]CC34CC4)C2)cc1 ZINC001246131567 804157903 /nfs/dbraw/zinc/15/79/03/804157903.db2.gz KWOYSQIAWBDAKO-BRWVUGGUSA-N 2 1 270.420 3.054 20 0 CGADMP Cn1ccc2cc(C[N@H+](C)CCC[NH+]3CCCC3)ccc21 ZINC001139193926 804157920 /nfs/dbraw/zinc/15/79/20/804157920.db2.gz PNOPCWIYKQYVIQ-UHFFFAOYSA-N 2 1 285.435 3.096 20 0 CGADMP Cn1ccc2cc(C[N@@H+](C)CCC[NH+]3CCCC3)ccc21 ZINC001139193926 804157923 /nfs/dbraw/zinc/15/79/23/804157923.db2.gz PNOPCWIYKQYVIQ-UHFFFAOYSA-N 2 1 285.435 3.096 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+](C)CCC[NH+]3CCCC3)c21 ZINC001139197500 804158967 /nfs/dbraw/zinc/15/89/67/804158967.db2.gz PYMVMOYCHZAUGE-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C)CCC[NH+]3CCCC3)c21 ZINC001139197500 804158970 /nfs/dbraw/zinc/15/89/70/804158970.db2.gz PYMVMOYCHZAUGE-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159791 804175662 /nfs/dbraw/zinc/17/56/62/804175662.db2.gz KKTILBMOCXWIEG-ZWKOTPCHSA-N 2 1 296.499 3.338 20 0 CGADMP Oc1ccc2cc(C[NH+]3CCC([NH+]4CCC4)CC3)ccc2c1 ZINC001139340345 804178161 /nfs/dbraw/zinc/17/81/61/804178161.db2.gz LUFFBOLWNYIDPN-UHFFFAOYSA-N 2 1 296.414 3.216 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246181701 804195475 /nfs/dbraw/zinc/19/54/75/804195475.db2.gz ROBXEXNYNZYNPR-ZNMIVQPWSA-N 2 1 258.425 3.273 20 0 CGADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246192276 804200638 /nfs/dbraw/zinc/20/06/38/804200638.db2.gz HEBSOVACFDQODR-UHFFFAOYSA-N 3 1 295.515 3.010 20 0 CGADMP CCCC[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC001246196283 804203188 /nfs/dbraw/zinc/20/31/88/804203188.db2.gz SFNCZTQSFMSMNS-RCCFBDPRSA-N 2 1 295.515 3.151 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246197041 804204209 /nfs/dbraw/zinc/20/42/09/804204209.db2.gz XVHXDHUYCITXCH-IKGGRYGDSA-N 2 1 295.515 3.007 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[NH2+][C@@H](C)C[NH3+])ccc2c1 ZINC001246198855 804204786 /nfs/dbraw/zinc/20/47/86/804204786.db2.gz GXVBOQOGKRUGHZ-KGLIPLIRSA-N 2 1 286.419 3.106 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCSCc2ccccc2Cl)CN1 ZINC001246205493 804207197 /nfs/dbraw/zinc/20/71/97/804207197.db2.gz ULYODTBLOBCVEM-JSGCOSHPSA-N 2 1 298.883 3.303 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCSCc2ccccc2Cl)C[NH2+]1 ZINC001246205493 804207204 /nfs/dbraw/zinc/20/72/04/804207204.db2.gz ULYODTBLOBCVEM-JSGCOSHPSA-N 2 1 298.883 3.303 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246213028 804209963 /nfs/dbraw/zinc/20/99/63/804209963.db2.gz PWHRNCCKSHNWOS-BCDXTJNWSA-N 3 1 297.531 3.397 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)CC[NH2+]2)cc1 ZINC001246223194 804217606 /nfs/dbraw/zinc/21/76/06/804217606.db2.gz QDYFFOQDDGQQBJ-KTQBOKQISA-N 2 1 270.420 3.258 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC001246227783 804220328 /nfs/dbraw/zinc/22/03/28/804220328.db2.gz WNAKAXQPTXAGFL-UHFFFAOYSA-N 2 1 292.732 3.200 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246264701 804246625 /nfs/dbraw/zinc/24/66/25/804246625.db2.gz OQPULSBKRPRNCY-ZSHCYNCHSA-N 2 1 294.414 3.233 20 0 CGADMP FC(F)(F)c1cccc(C2([NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC001246268579 804247080 /nfs/dbraw/zinc/24/70/80/804247080.db2.gz WLIKMSXKMLCUKK-UHFFFAOYSA-N 2 1 284.325 3.036 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])Cc2ccccc2)CC(C)(C)C1 ZINC001246269351 804247322 /nfs/dbraw/zinc/24/73/22/804247322.db2.gz RICZQZQYXUKAIP-HYVNUMGLSA-N 2 1 274.452 3.361 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CCC2)CC[NH2+]1 ZINC001246282086 804257086 /nfs/dbraw/zinc/25/70/86/804257086.db2.gz UAZPAGIAPHXYRY-SUYBPPKGSA-N 2 1 276.399 3.397 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1(C[NH3+])CCCC1 ZINC001246285204 804260237 /nfs/dbraw/zinc/26/02/37/804260237.db2.gz FZTWYHMDRLOVRW-NSHDSACASA-N 2 1 284.806 3.271 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246316867 804277983 /nfs/dbraw/zinc/27/79/83/804277983.db2.gz KDSZOODJGLRWKI-VXGBXAGGSA-N 2 1 287.234 3.178 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CNCCC1(C)C ZINC001246323893 804280427 /nfs/dbraw/zinc/28/04/27/804280427.db2.gz CWFVHSBPTYRPMD-ABAIWWIYSA-N 2 1 298.833 3.388 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246323893 804280436 /nfs/dbraw/zinc/28/04/36/804280436.db2.gz CWFVHSBPTYRPMD-ABAIWWIYSA-N 2 1 298.833 3.388 20 0 CGADMP CCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246342863 804294314 /nfs/dbraw/zinc/29/43/14/804294314.db2.gz TTYJISDKSHKLDJ-AVGNSLFASA-N 2 1 280.378 3.475 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)nc1 ZINC001139840126 804296805 /nfs/dbraw/zinc/29/68/05/804296805.db2.gz GFFCTKXNDLHONK-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)nc1 ZINC001139840126 804296812 /nfs/dbraw/zinc/29/68/12/804296812.db2.gz GFFCTKXNDLHONK-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001139840126 804296818 /nfs/dbraw/zinc/29/68/18/804296818.db2.gz GFFCTKXNDLHONK-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001139840126 804296825 /nfs/dbraw/zinc/29/68/25/804296825.db2.gz GFFCTKXNDLHONK-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CNc4ccccc43)CCN2)cc1 ZINC001246355116 804301666 /nfs/dbraw/zinc/30/16/66/804301666.db2.gz IOSQZDJXBCFXIH-ZYSHUDEJSA-N 2 1 293.414 3.236 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2ccc(OC)cc2F)C[C@@H](CC)[NH2+]1 ZINC001246355251 804301870 /nfs/dbraw/zinc/30/18/70/804301870.db2.gz YSBOUVMGDHVRLB-ZIAGYGMSSA-N 2 1 294.414 3.233 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883173 804309849 /nfs/dbraw/zinc/30/98/49/804309849.db2.gz FWLZHFSSLAUKLJ-FUHWJXTLSA-N 2 1 270.420 3.090 20 0 CGADMP Clc1ccccc1CC1(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246382907 804314295 /nfs/dbraw/zinc/31/42/95/804314295.db2.gz GIJNHSNWAMXCEK-AWEZNQCLSA-N 2 1 278.827 3.004 20 0 CGADMP Clc1cnccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001246389954 804317726 /nfs/dbraw/zinc/31/77/26/804317726.db2.gz BVQASVYCTDGJPQ-GYVWXKFASA-N 2 1 291.826 3.059 20 0 CGADMP FC(F)(F)c1ccc(CC2([NH2+][C@@H]3CC[NH2+]C3)CCC2)cc1 ZINC001246431962 804329679 /nfs/dbraw/zinc/32/96/79/804329679.db2.gz GDYJUSZGESFQNX-CQSZACIVSA-N 2 1 298.352 3.122 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)C[NH2+]1 ZINC001246461970 804341643 /nfs/dbraw/zinc/34/16/43/804341643.db2.gz AYTUXMYXYXMUPQ-WMLDXEAASA-N 2 1 290.426 3.269 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC001246490592 804357021 /nfs/dbraw/zinc/35/70/21/804357021.db2.gz FASPYEVSRZZQGL-HIFRSBDPSA-N 2 1 250.430 3.077 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(O)ccc2F)CC1 ZINC001140049197 804360309 /nfs/dbraw/zinc/36/03/09/804360309.db2.gz YZPZYPZQUSLNEX-UHFFFAOYSA-N 2 1 294.414 3.084 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246518472 804372437 /nfs/dbraw/zinc/37/24/37/804372437.db2.gz GNDMDQVVJMVZCO-PIIMJCKOSA-N 2 1 272.436 3.354 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246519681 804375033 /nfs/dbraw/zinc/37/50/33/804375033.db2.gz PKEIUVXLOKECJU-HNNXBMFYSA-N 2 1 290.476 3.135 20 0 CGADMP CCC[N@@H+](CC)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246521235 804376483 /nfs/dbraw/zinc/37/64/83/804376483.db2.gz NJOBMWGRUFWSOL-SJORKVTESA-N 2 1 260.425 3.082 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCC[C@](C)([NH3+])C2)CC1 ZINC001246539391 804387074 /nfs/dbraw/zinc/38/70/74/804387074.db2.gz KNRKBYZMIYPZRD-XUJLQICISA-N 2 1 252.446 3.405 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH2+]CC2)c1 ZINC001246538744 804387188 /nfs/dbraw/zinc/38/71/88/804387188.db2.gz NOLYNIUKMVTJQZ-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538243 804389095 /nfs/dbraw/zinc/38/90/95/804389095.db2.gz ATBVVXDBEYBIQU-FZMZJTMJSA-N 2 1 284.806 3.223 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246542765 804390385 /nfs/dbraw/zinc/39/03/85/804390385.db2.gz YEUDRLHTGXOQIG-OIISXLGYSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246542765 804390394 /nfs/dbraw/zinc/39/03/94/804390394.db2.gz YEUDRLHTGXOQIG-OIISXLGYSA-N 2 1 258.409 3.272 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544901 804393136 /nfs/dbraw/zinc/39/31/36/804393136.db2.gz HVUZOCCBWLEUKJ-ZWKOTPCHSA-N 2 1 274.452 3.457 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@H]1C[NH3+] ZINC001246544936 804394022 /nfs/dbraw/zinc/39/40/22/804394022.db2.gz DYGIFVXSTAJEEE-ARFHVFGLSA-N 2 1 264.457 3.406 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCc3ccccc3[C@H]2C)CC[NH2+]1 ZINC001246545014 804394440 /nfs/dbraw/zinc/39/44/40/804394440.db2.gz GCDZKYZNZFNUSA-HFTRVMKXSA-N 2 1 272.436 3.382 20 0 CGADMP CC1(C)CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246546902 804395152 /nfs/dbraw/zinc/39/51/52/804395152.db2.gz BUTFYGNADXSGRP-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001246547029 804395227 /nfs/dbraw/zinc/39/52/27/804395227.db2.gz ADZHFMDKWSOOAJ-LSDHHAIUSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001246547029 804395233 /nfs/dbraw/zinc/39/52/33/804395233.db2.gz ADZHFMDKWSOOAJ-LSDHHAIUSA-N 2 1 278.465 3.159 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246546818 804396323 /nfs/dbraw/zinc/39/63/23/804396323.db2.gz AOYUVVOCAHXCNV-CJNGLKHVSA-N 2 1 280.843 3.474 20 0 CGADMP C[NH2+]C1CCC([N@@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC001246549008 804397404 /nfs/dbraw/zinc/39/74/04/804397404.db2.gz OXWGGRKEOVKIEL-IUDNXUCKSA-N 2 1 258.409 3.136 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246547963 804399390 /nfs/dbraw/zinc/39/93/90/804399390.db2.gz DGYZZMREPWVBSO-SOLBZPMBSA-N 2 1 274.452 3.233 20 0 CGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246551025 804400350 /nfs/dbraw/zinc/40/03/50/804400350.db2.gz JWYLGOFRNUSLDJ-CRAIPNDOSA-N 2 1 290.451 3.220 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246551235 804401319 /nfs/dbraw/zinc/40/13/19/804401319.db2.gz XOYOCGMDLRKZRW-LLLHUVSDSA-N 2 1 270.420 3.279 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246554953 804404046 /nfs/dbraw/zinc/40/40/46/804404046.db2.gz CZXWODVEVOEIEM-WCVJEAGWSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553582 804404323 /nfs/dbraw/zinc/40/43/23/804404323.db2.gz BNCDQBOWRPDOEV-CHWSQXEVSA-N 2 1 262.388 3.117 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246556623 804406461 /nfs/dbraw/zinc/40/64/61/804406461.db2.gz JWSYRBBDNNDTRQ-FRRDWIJNSA-N 2 1 274.399 3.117 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001246559855 804408723 /nfs/dbraw/zinc/40/87/23/804408723.db2.gz FISLJEKHADZCME-JTDSTZFVSA-N 2 1 288.479 3.487 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246563764 804411465 /nfs/dbraw/zinc/41/14/65/804411465.db2.gz LTECQEWKQGDRFU-MCIONIFRSA-N 2 1 296.455 3.366 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246562569 804412328 /nfs/dbraw/zinc/41/23/28/804412328.db2.gz YLOJQEAXWKBZRP-QWHCGFSZSA-N 2 1 262.388 3.261 20 0 CGADMP C[C@@H]1C[N@H+](C2CCc3ccccc3CC2)CCC[C@H]1C[NH3+] ZINC001246566537 804413353 /nfs/dbraw/zinc/41/33/53/804413353.db2.gz IZTMQQYRJRQEMY-QAPCUYQASA-N 2 1 286.463 3.241 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CCC[C@H]1C[NH3+] ZINC001246563837 804414190 /nfs/dbraw/zinc/41/41/90/804414190.db2.gz VGPJWYVLMDGCIU-HACGYAERSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246567509 804415787 /nfs/dbraw/zinc/41/57/87/804415787.db2.gz LHAICGZQYGSWJP-YCPHGPKFSA-N 2 1 278.415 3.064 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246569718 804416920 /nfs/dbraw/zinc/41/69/20/804416920.db2.gz SGJNCLCITPCOFA-IIAWOOMASA-N 2 1 278.415 3.064 20 0 CGADMP F[C@H]1CCCC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246569047 804416941 /nfs/dbraw/zinc/41/69/41/804416941.db2.gz URCBDQANRTVINQ-GJZGRUSLSA-N 2 1 268.420 3.265 20 0 CGADMP F[C@H]1CCCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246569047 804416942 /nfs/dbraw/zinc/41/69/42/804416942.db2.gz URCBDQANRTVINQ-GJZGRUSLSA-N 2 1 268.420 3.265 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CCC[C@H]1C[NH3+] ZINC001246570156 804416997 /nfs/dbraw/zinc/41/69/97/804416997.db2.gz SYWWZRLGBBUWDX-VHDGCEQUSA-N 2 1 292.854 3.114 20 0 CGADMP Cc1cccc2c1C[N@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246569590 804417593 /nfs/dbraw/zinc/41/75/93/804417593.db2.gz WQHNANVBOFVTOQ-DOTOQJQBSA-N 2 1 272.436 3.477 20 0 CGADMP Cc1cccc2c1C[N@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246569593 804417934 /nfs/dbraw/zinc/41/79/34/804417934.db2.gz WQHNANVBOFVTOQ-WBVHZDCISA-N 2 1 272.436 3.477 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCCC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246571821 804419096 /nfs/dbraw/zinc/41/90/96/804419096.db2.gz XANHQACOYRJUCR-KFWWJZLASA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246577294 804424474 /nfs/dbraw/zinc/42/44/74/804424474.db2.gz NXZCUPJKMZAULM-YOEHRIQHSA-N 2 1 278.415 3.208 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246589278 804430911 /nfs/dbraw/zinc/43/09/11/804430911.db2.gz DXSNPXXYUZNMIJ-JYJNAYRXSA-N 2 1 270.461 3.031 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246588807 804431544 /nfs/dbraw/zinc/43/15/44/804431544.db2.gz CPTWEGAJOMNJPB-CRAIPNDOSA-N 2 1 290.426 3.134 20 0 CGADMP C[C@@]1(F)CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1F ZINC001246591810 804433910 /nfs/dbraw/zinc/43/39/10/804433910.db2.gz XSLZFWODBCSSAO-PWUWZPNHSA-N 2 1 286.410 3.071 20 0 CGADMP CC(C)COCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246594297 804434576 /nfs/dbraw/zinc/43/45/76/804434576.db2.gz PUUIJEGDYCPDHQ-SJORKVTESA-N 2 1 284.488 3.290 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246595080 804436630 /nfs/dbraw/zinc/43/66/30/804436630.db2.gz XLFMTEFPKGYKGN-WUCCLRPBSA-N 2 1 256.409 3.107 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246595080 804436634 /nfs/dbraw/zinc/43/66/34/804436634.db2.gz XLFMTEFPKGYKGN-WUCCLRPBSA-N 2 1 256.409 3.107 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246601919 804438313 /nfs/dbraw/zinc/43/83/13/804438313.db2.gz HXSGJMYCGJTRLT-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246602045 804439992 /nfs/dbraw/zinc/43/99/92/804439992.db2.gz BUYKVSDVNNHPLH-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246607772 804442925 /nfs/dbraw/zinc/44/29/25/804442925.db2.gz FJNYHQHEFTVTDA-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246607772 804442929 /nfs/dbraw/zinc/44/29/29/804442929.db2.gz FJNYHQHEFTVTDA-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246609679 804444344 /nfs/dbraw/zinc/44/43/44/804444344.db2.gz MOLSTWFJLKHAEF-WMLDXEAASA-N 2 1 292.854 3.489 20 0 CGADMP C1[C@@H]2C[C@H]([N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)C[C@H]12 ZINC001246612457 804446752 /nfs/dbraw/zinc/44/67/52/804446752.db2.gz WILJDBAZYPSXKT-LTIDMASMSA-N 2 1 262.441 3.031 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246616059 804449933 /nfs/dbraw/zinc/44/99/33/804449933.db2.gz WYZHCYUATPDRKM-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C[C@@H]1C ZINC001246619843 804453925 /nfs/dbraw/zinc/45/39/25/804453925.db2.gz IVJXHBPZVXLXMN-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246621062 804454001 /nfs/dbraw/zinc/45/40/01/804454001.db2.gz CYFCPJQZFFMDSC-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246621797 804455123 /nfs/dbraw/zinc/45/51/23/804455123.db2.gz QAISVIRDMSQMET-DLBZAZTESA-N 2 1 282.472 3.190 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246627351 804458796 /nfs/dbraw/zinc/45/87/96/804458796.db2.gz JEWOWCHNVYRROY-BZSNNMDCSA-N 2 1 272.436 3.224 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246627351 804458802 /nfs/dbraw/zinc/45/88/02/804458802.db2.gz JEWOWCHNVYRROY-BZSNNMDCSA-N 2 1 272.436 3.224 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC23CCCC3)CC[NH2+]1 ZINC001246628785 804458823 /nfs/dbraw/zinc/45/88/23/804458823.db2.gz ZRTBHOOEWFWVLB-HUUCEWRRSA-N 2 1 250.430 3.316 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246633521 804464506 /nfs/dbraw/zinc/46/45/06/804464506.db2.gz YNOCPNQBMSXXFI-YOEHRIQHSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246633521 804464510 /nfs/dbraw/zinc/46/45/10/804464510.db2.gz YNOCPNQBMSXXFI-YOEHRIQHSA-N 2 1 292.854 3.347 20 0 CGADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246636965 804465482 /nfs/dbraw/zinc/46/54/82/804465482.db2.gz HPDCCPKOPMDTGP-ARFHVFGLSA-N 2 1 262.441 3.316 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@]13CC[NH2+]C3)C2 ZINC001246645056 804472303 /nfs/dbraw/zinc/47/23/03/804472303.db2.gz ANNIZOLPHNHVIU-DLBZAZTESA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]13CC[NH2+]C3)C2 ZINC001246645056 804472305 /nfs/dbraw/zinc/47/23/05/804472305.db2.gz ANNIZOLPHNHVIU-DLBZAZTESA-N 2 1 290.838 3.025 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246644597 804472614 /nfs/dbraw/zinc/47/26/14/804472614.db2.gz IIJSNDNYTSYQQM-BZSNNMDCSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647696 804475577 /nfs/dbraw/zinc/47/55/77/804475577.db2.gz MNJYBAKAHQOFED-QYZOEREBSA-N 2 1 286.463 3.185 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246650666 804478722 /nfs/dbraw/zinc/47/87/22/804478722.db2.gz BDIDQRMNGGBJOK-BQFCYCMXSA-N 2 1 296.499 3.434 20 0 CGADMP CCCCCC[C@H](CCC)[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246658658 804482075 /nfs/dbraw/zinc/48/20/75/804482075.db2.gz AHIXFLGHGIVTKF-ULQDDVLXSA-N 2 1 282.472 3.188 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246658658 804482077 /nfs/dbraw/zinc/48/20/77/804482077.db2.gz AHIXFLGHGIVTKF-ULQDDVLXSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246659515 804483508 /nfs/dbraw/zinc/48/35/08/804483508.db2.gz SSSPQLHRYKYFDR-QRVBRYPASA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661580 804485537 /nfs/dbraw/zinc/48/55/37/804485537.db2.gz GEPIVKBREZUTDQ-WOSRLPQWSA-N 2 1 294.439 3.120 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661580 804485541 /nfs/dbraw/zinc/48/55/41/804485541.db2.gz GEPIVKBREZUTDQ-WOSRLPQWSA-N 2 1 294.439 3.120 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246665400 804487134 /nfs/dbraw/zinc/48/71/34/804487134.db2.gz ZORFKVIDUITSPB-QRVBRYPASA-N 2 1 286.463 3.328 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246675900 804490400 /nfs/dbraw/zinc/49/04/00/804490400.db2.gz BIDYRABJOGMZDH-ATZDWAIDSA-N 2 1 284.447 3.254 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246678448 804492694 /nfs/dbraw/zinc/49/26/94/804492694.db2.gz FFZSSEDXXFXCAB-NVXWUHKLSA-N 2 1 258.409 3.274 20 0 CGADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1 ZINC001246681860 804494121 /nfs/dbraw/zinc/49/41/21/804494121.db2.gz JYIIWNJTSCLITO-JCHJZTRSSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246680043 804494419 /nfs/dbraw/zinc/49/44/19/804494419.db2.gz GLHPEIPZLLNGDX-GJZGRUSLSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001246687025 804496423 /nfs/dbraw/zinc/49/64/23/804496423.db2.gz CNFNCBTZZDKXNH-HOCLYGCPSA-N 2 1 284.463 3.456 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246745761 804501050 /nfs/dbraw/zinc/50/10/50/804501050.db2.gz GDYMGYNPYVBPOB-FUHWJXTLSA-N 2 1 298.474 3.415 20 0 CGADMP C[C@H]1CCCCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246767243 804501060 /nfs/dbraw/zinc/50/10/60/804501060.db2.gz AVYWCNCCFHQDRD-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246771211 804502328 /nfs/dbraw/zinc/50/23/28/804502328.db2.gz WTEPGSWMOUXQMA-OAGGEKHMSA-N 2 1 250.430 3.173 20 0 CGADMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246769062 804503401 /nfs/dbraw/zinc/50/34/01/804503401.db2.gz HSKBKEDKWVFORX-RDJZCZTQSA-N 2 1 290.451 3.294 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246777724 804505930 /nfs/dbraw/zinc/50/59/30/804505930.db2.gz TVJIHWRNISZOIY-MSOLQXFVSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@@H+](Cc1cccs1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246780569 804508788 /nfs/dbraw/zinc/50/87/88/804508788.db2.gz CGZBYVAVKZIFNB-UHFFFAOYSA-N 2 1 278.465 3.492 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2CCC(CCc3ccccc3)CC2)C[NH2+]1 ZINC001246783007 804510324 /nfs/dbraw/zinc/51/03/24/804510324.db2.gz VGFLGIAPJIOOOR-QFBILLFUSA-N 2 1 286.463 3.472 20 0 CGADMP COCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246785183 804511156 /nfs/dbraw/zinc/51/11/56/804511156.db2.gz JSXJZDVCNQGECO-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246786384 804511384 /nfs/dbraw/zinc/51/13/84/804511384.db2.gz ONXOEPYVWNJKHC-JFIYKMOQSA-N 2 1 288.435 3.060 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246786387 804511780 /nfs/dbraw/zinc/51/17/80/804511780.db2.gz ONXOEPYVWNJKHC-RYRKJORJSA-N 2 1 288.435 3.060 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246790336 804513439 /nfs/dbraw/zinc/51/34/39/804513439.db2.gz NOSVVZHEPQNIGX-DGADGQDISA-N 2 1 252.446 3.416 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246789092 804513630 /nfs/dbraw/zinc/51/36/30/804513630.db2.gz BAOGHSILFDVYBW-QGZVFWFLSA-N 2 1 284.447 3.083 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC001246792107 804515910 /nfs/dbraw/zinc/51/59/10/804515910.db2.gz UHYZCIULRFSFGY-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246793766 804518042 /nfs/dbraw/zinc/51/80/42/804518042.db2.gz DKXNOHDIAKDSGH-LSDHHAIUSA-N 2 1 266.816 3.302 20 0 CGADMP C[N@@H+](CC(C)(C)C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246796583 804518842 /nfs/dbraw/zinc/51/88/42/804518842.db2.gz KWTJPRFHJMDOTK-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP COc1ccc(C[N@H+](C)Cc2cnc3cc[nH]cc2-3)cc1 ZINC001140800911 804520339 /nfs/dbraw/zinc/52/03/39/804520339.db2.gz AITUJJYAKMTMPF-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP COc1ccc(C[N@@H+](C)Cc2cnc3cc[nH]cc2-3)cc1 ZINC001140800911 804520344 /nfs/dbraw/zinc/52/03/44/804520344.db2.gz AITUJJYAKMTMPF-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP COc1ccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140800911 804520348 /nfs/dbraw/zinc/52/03/48/804520348.db2.gz AITUJJYAKMTMPF-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP COc1ccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140800911 804520350 /nfs/dbraw/zinc/52/03/50/804520350.db2.gz AITUJJYAKMTMPF-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@@H]1C ZINC001140801047 804521519 /nfs/dbraw/zinc/52/15/19/804521519.db2.gz AICPUQAQPWHDLW-STQMWFEESA-N 2 1 257.381 3.431 20 0 CGADMP C[C@H]1C[N@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@@H]1C ZINC001140801047 804521521 /nfs/dbraw/zinc/52/15/21/804521521.db2.gz AICPUQAQPWHDLW-STQMWFEESA-N 2 1 257.381 3.431 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246799444 804521544 /nfs/dbraw/zinc/52/15/44/804521544.db2.gz UQYZUUHNGBPCBJ-CPUCHLNUSA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246799441 804521987 /nfs/dbraw/zinc/52/19/87/804521987.db2.gz UQYZUUHNGBPCBJ-CKEIUWERSA-N 2 1 276.399 3.493 20 0 CGADMP c1[nH]c2ccncc2c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001140807449 804522895 /nfs/dbraw/zinc/52/28/95/804522895.db2.gz ZOVPRPKVLPHKJT-AWEZNQCLSA-N 2 1 292.386 3.338 20 0 CGADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001140807449 804522900 /nfs/dbraw/zinc/52/29/00/804522900.db2.gz ZOVPRPKVLPHKJT-AWEZNQCLSA-N 2 1 292.386 3.338 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001140807449 804522907 /nfs/dbraw/zinc/52/29/07/804522907.db2.gz ZOVPRPKVLPHKJT-AWEZNQCLSA-N 2 1 292.386 3.338 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001140807449 804522914 /nfs/dbraw/zinc/52/29/14/804522914.db2.gz ZOVPRPKVLPHKJT-AWEZNQCLSA-N 2 1 292.386 3.338 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140806496 804523658 /nfs/dbraw/zinc/52/36/58/804523658.db2.gz KVMQIGBTFGQCLF-UHFFFAOYSA-N 2 1 277.371 3.430 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140806496 804523662 /nfs/dbraw/zinc/52/36/62/804523662.db2.gz KVMQIGBTFGQCLF-UHFFFAOYSA-N 2 1 277.371 3.430 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccncc12)CC1CC(F)(F)C1 ZINC001140807397 804524592 /nfs/dbraw/zinc/52/45/92/804524592.db2.gz YBBYFUMGAWUCEE-UHFFFAOYSA-N 2 1 265.307 3.040 20 0 CGADMP C[N@@H+](Cc1cnc2cc[nH]cc1-2)CC1CC(F)(F)C1 ZINC001140807397 804524597 /nfs/dbraw/zinc/52/45/97/804524597.db2.gz YBBYFUMGAWUCEE-UHFFFAOYSA-N 2 1 265.307 3.040 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CC(F)(F)C1 ZINC001140807397 804524602 /nfs/dbraw/zinc/52/46/02/804524602.db2.gz YBBYFUMGAWUCEE-UHFFFAOYSA-N 2 1 265.307 3.040 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CC(F)(F)C1 ZINC001140807397 804524605 /nfs/dbraw/zinc/52/46/05/804524605.db2.gz YBBYFUMGAWUCEE-UHFFFAOYSA-N 2 1 265.307 3.040 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[C@H](C)C1 ZINC001246809851 804527242 /nfs/dbraw/zinc/52/72/42/804527242.db2.gz LDNKMQXAGKSOFD-KLHDSHLOSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC001246810085 804527467 /nfs/dbraw/zinc/52/74/67/804527467.db2.gz MHPNBSLIWIREIJ-LXTVHRRPSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246813001 804529832 /nfs/dbraw/zinc/52/98/32/804529832.db2.gz HFRDSJQZFCDTMJ-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP c1ccc([C@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246815488 804532201 /nfs/dbraw/zinc/53/22/01/804532201.db2.gz DCUVPXZSMZKFCB-GBESFXJTSA-N 2 1 284.447 3.398 20 0 CGADMP C1C[C@@H]2CCC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)[C@@H]2C1 ZINC001246821632 804535150 /nfs/dbraw/zinc/53/51/50/804535150.db2.gz TVGDSAOCKGOCKD-VQHPVUNQSA-N 2 1 262.441 3.173 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827894 804539053 /nfs/dbraw/zinc/53/90/53/804539053.db2.gz TVVKBUJXGMSBKI-DLBZAZTESA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827894 804539054 /nfs/dbraw/zinc/53/90/54/804539054.db2.gz TVVKBUJXGMSBKI-DLBZAZTESA-N 2 1 290.426 3.351 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC001246829530 804540545 /nfs/dbraw/zinc/54/05/45/804540545.db2.gz KWSYJQJSDHIRTP-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](CC)Cc2cccc(OC)c2)CC[NH2+]1 ZINC001246840416 804548783 /nfs/dbraw/zinc/54/87/83/804548783.db2.gz OEJKMDFGORVMKN-JKSUJKDBSA-N 2 1 276.424 3.048 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246844340 804551904 /nfs/dbraw/zinc/55/19/04/804551904.db2.gz IWUPNBIXRUGCKN-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC(CCCC)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246843287 804552002 /nfs/dbraw/zinc/55/20/02/804552002.db2.gz FOUYOWDROVSHMZ-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](CC)C2)C[C@H](CC)[NH2+]1 ZINC001246846537 804555764 /nfs/dbraw/zinc/55/57/64/804555764.db2.gz HOIZPDPBQHULLU-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](CC)C2)cc1 ZINC001246848118 804557929 /nfs/dbraw/zinc/55/79/29/804557929.db2.gz WEPKBAQFFAKALY-DLBZAZTESA-N 2 1 260.425 3.211 20 0 CGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246848606 804558610 /nfs/dbraw/zinc/55/86/10/804558610.db2.gz XAWCPOZWUNBZFI-IKGGRYGDSA-N 2 1 294.483 3.392 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246847731 804558703 /nfs/dbraw/zinc/55/87/03/804558703.db2.gz MADPSBIVKLIBOF-SJORKVTESA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246852676 804562394 /nfs/dbraw/zinc/56/23/94/804562394.db2.gz JOIASBLBURAAKX-GMRIPVOYSA-N 2 1 282.447 3.367 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246852676 804562399 /nfs/dbraw/zinc/56/23/99/804562399.db2.gz JOIASBLBURAAKX-GMRIPVOYSA-N 2 1 282.447 3.367 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC001246855230 804564006 /nfs/dbraw/zinc/56/40/06/804564006.db2.gz WYAFCTZUILYCBO-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861319 804565505 /nfs/dbraw/zinc/56/55/05/804565505.db2.gz AVQCRVNMAGUEID-KYHPRHEASA-N 2 1 270.420 3.279 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246866291 804569307 /nfs/dbraw/zinc/56/93/07/804569307.db2.gz JABXLEUWAUQPML-RDJZCZTQSA-N 2 1 258.409 3.138 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246868103 804571131 /nfs/dbraw/zinc/57/11/31/804571131.db2.gz QLVCLKYHPSGGKV-FZKCQIBNSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246868103 804571136 /nfs/dbraw/zinc/57/11/36/804571136.db2.gz QLVCLKYHPSGGKV-FZKCQIBNSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H](C)CC23CC3)C[C@H](CC)[NH2+]1 ZINC001246894402 804584566 /nfs/dbraw/zinc/58/45/66/804584566.db2.gz NOKJCQWROMHASU-APIJFGDWSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246909376 804592794 /nfs/dbraw/zinc/59/27/94/804592794.db2.gz PTBXPXLAOHGORE-RHSMWYFYSA-N 2 1 294.389 3.319 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246911840 804594657 /nfs/dbraw/zinc/59/46/57/804594657.db2.gz WWAFLPUTGHWMIN-KRWDZBQOSA-N 2 1 272.436 3.267 20 0 CGADMP CSCC[C@H](C)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246915310 804596739 /nfs/dbraw/zinc/59/67/39/804596739.db2.gz MQIOYYBIUGFHKD-HNNXBMFYSA-N 2 1 292.492 3.382 20 0 CGADMP C1CC2(C[C@H]1[N@H+]1CC[C@H]3CCCC[C@@H]3C1)CC[NH2+]CC2 ZINC001246918959 804600730 /nfs/dbraw/zinc/60/07/30/804600730.db2.gz ICHWWIJLIMEENZ-ZACQAIPSSA-N 2 1 276.468 3.421 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC001246922577 804602814 /nfs/dbraw/zinc/60/28/14/804602814.db2.gz ULRIIGSRJDEMCR-ZLPCBKJTSA-N 2 1 274.452 3.388 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246934347 804606690 /nfs/dbraw/zinc/60/66/90/804606690.db2.gz CHMYBWQUOZQKES-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246934239 804606698 /nfs/dbraw/zinc/60/66/98/804606698.db2.gz AOTDKNBJKRKBKC-KBAYOESNSA-N 2 1 294.483 3.188 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC001246932321 804607499 /nfs/dbraw/zinc/60/74/99/804607499.db2.gz ZWICABBBNYUFRW-HYVNUMGLSA-N 2 1 288.435 3.015 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1cccc(Cl)c1 ZINC001246936302 804608598 /nfs/dbraw/zinc/60/85/98/804608598.db2.gz IQYAQPHOYWIIKR-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1cccc(Cl)c1 ZINC001246936305 804609008 /nfs/dbraw/zinc/60/90/08/804609008.db2.gz IQYAQPHOYWIIKR-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CSc1ccc(C)cc1 ZINC001246935298 804609156 /nfs/dbraw/zinc/60/91/56/804609156.db2.gz GPBNWLPFPCXMLT-JKSUJKDBSA-N 2 1 292.492 3.407 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246946248 804613543 /nfs/dbraw/zinc/61/35/43/804613543.db2.gz OLKLGZUAXSXLSH-GDBMZVCRSA-N 2 1 268.420 3.252 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246946248 804613544 /nfs/dbraw/zinc/61/35/44/804613544.db2.gz OLKLGZUAXSXLSH-GDBMZVCRSA-N 2 1 268.420 3.252 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001246946065 804614086 /nfs/dbraw/zinc/61/40/86/804614086.db2.gz ZHZQZEWNUXPVEW-RDJZCZTQSA-N 2 1 260.425 3.438 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1CC ZINC001141228182 804615784 /nfs/dbraw/zinc/61/57/84/804615784.db2.gz BCEFMIJXUIJCIL-UHFFFAOYSA-N 2 1 262.441 3.413 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(F)cc1Cl ZINC001246950211 804616075 /nfs/dbraw/zinc/61/60/75/804616075.db2.gz VYKYZHLMURQMNL-OLZOCXBDSA-N 2 1 298.833 3.342 20 0 CGADMP CCc1ccccc1CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001141229806 804616208 /nfs/dbraw/zinc/61/62/08/804616208.db2.gz RJUDKLYWQLVZOD-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP CCc1ccccc1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001141229806 804616209 /nfs/dbraw/zinc/61/62/09/804616209.db2.gz RJUDKLYWQLVZOD-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP CCc1ccccc1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001141229806 804616212 /nfs/dbraw/zinc/61/62/12/804616212.db2.gz RJUDKLYWQLVZOD-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP CCOCC[N@@H+]([C@@H](CC)C[C@H](C)CC)C1CC[NH2+]CC1 ZINC001246950018 804616382 /nfs/dbraw/zinc/61/63/82/804616382.db2.gz OIUHFVYZBJFKSB-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP c1ccc(C[N@@H+](C2CCC2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246957607 804617827 /nfs/dbraw/zinc/61/78/27/804617827.db2.gz BTRPPAZMHKWMGP-BYICEURKSA-N 2 1 270.420 3.324 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246967838 804620872 /nfs/dbraw/zinc/62/08/72/804620872.db2.gz ONKKPQBNWVUIDD-ZWKOTPCHSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)CC2 ZINC001246975594 804624238 /nfs/dbraw/zinc/62/42/38/804624238.db2.gz MABALKIUKKSFOH-HXUWFJFHSA-N 2 1 298.474 3.459 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccccc1Br ZINC001246976170 804624788 /nfs/dbraw/zinc/62/47/88/804624788.db2.gz YNHGEXMJSKDGQA-AAEUAGOBSA-N 2 1 299.256 3.049 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccccc1Br ZINC001246976170 804624790 /nfs/dbraw/zinc/62/47/90/804624790.db2.gz YNHGEXMJSKDGQA-AAEUAGOBSA-N 2 1 299.256 3.049 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246995163 804632549 /nfs/dbraw/zinc/63/25/49/804632549.db2.gz BLULSCISWUJZOB-GYSYKLTISA-N 2 1 286.341 3.058 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246995163 804632555 /nfs/dbraw/zinc/63/25/55/804632555.db2.gz BLULSCISWUJZOB-GYSYKLTISA-N 2 1 286.341 3.058 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247001559 804634247 /nfs/dbraw/zinc/63/42/47/804634247.db2.gz JLEAMBAMMYJPPQ-RDJZCZTQSA-N 2 1 284.447 3.312 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001247002672 804635429 /nfs/dbraw/zinc/63/54/29/804635429.db2.gz NYOUAEUOZYLLEY-RHSMWYFYSA-N 2 1 292.854 3.258 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247012450 804639816 /nfs/dbraw/zinc/63/98/16/804639816.db2.gz DSTLWFUDLKKRIJ-HRCADAONSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247012450 804639820 /nfs/dbraw/zinc/63/98/20/804639820.db2.gz DSTLWFUDLKKRIJ-HRCADAONSA-N 2 1 250.430 3.195 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(F)c(C)c3)C[C@@H]2C1 ZINC001143385629 804846242 /nfs/dbraw/zinc/84/62/42/804846242.db2.gz XMOKJRZVEXSVCI-CALCHBBNSA-N 2 1 290.426 3.216 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(F)c(C)c3)C[C@@H]2C1 ZINC001143385629 804846243 /nfs/dbraw/zinc/84/62/43/804846243.db2.gz XMOKJRZVEXSVCI-CALCHBBNSA-N 2 1 290.426 3.216 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(F)c(C)c3)C[C@@H]2C1 ZINC001143385629 804846250 /nfs/dbraw/zinc/84/62/50/804846250.db2.gz XMOKJRZVEXSVCI-CALCHBBNSA-N 2 1 290.426 3.216 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(F)c(C)c3)C[C@@H]2C1 ZINC001143385629 804846257 /nfs/dbraw/zinc/84/62/57/804846257.db2.gz XMOKJRZVEXSVCI-CALCHBBNSA-N 2 1 290.426 3.216 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144245721 804960752 /nfs/dbraw/zinc/96/07/52/804960752.db2.gz CRCVXQSOCQGACT-UHFFFAOYSA-N 2 1 297.446 3.393 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144245721 804960756 /nfs/dbraw/zinc/96/07/56/804960756.db2.gz CRCVXQSOCQGACT-UHFFFAOYSA-N 2 1 297.446 3.393 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248816945 805004332 /nfs/dbraw/zinc/00/43/32/805004332.db2.gz CCTNDPOTNGYPHW-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248816945 805004342 /nfs/dbraw/zinc/00/43/42/805004342.db2.gz CCTNDPOTNGYPHW-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CCSc1ccccc1C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001249440565 805150548 /nfs/dbraw/zinc/15/05/48/805150548.db2.gz SPDWZNDLKQNIGA-HZPDHXFCSA-N 2 1 290.476 3.182 20 0 CGADMP Cc1[nH+]c2ccccn2c1Nc1ccc2c[nH+]cn2c1 ZINC001250327218 805571542 /nfs/dbraw/zinc/57/15/42/805571542.db2.gz LFOMKALIWUDJNZ-UHFFFAOYSA-N 2 1 263.304 3.034 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](C1CC[NH+](C(C)C)CC1)CC2 ZINC001257212820 807063651 /nfs/dbraw/zinc/06/36/51/807063651.db2.gz AJIOPOMWJBGXJC-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](C1CC[NH+](C(C)C)CC1)CC2 ZINC001257212820 807063656 /nfs/dbraw/zinc/06/36/56/807063656.db2.gz AJIOPOMWJBGXJC-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001257220697 807065894 /nfs/dbraw/zinc/06/58/94/807065894.db2.gz SMMCUCJHLHYJJX-QGZVFWFLSA-N 2 1 273.424 3.091 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001257220697 807065903 /nfs/dbraw/zinc/06/59/03/807065903.db2.gz SMMCUCJHLHYJJX-QGZVFWFLSA-N 2 1 273.424 3.091 20 0 CGADMP CCC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257314299 807102112 /nfs/dbraw/zinc/10/21/12/807102112.db2.gz UPQUBPUKEPOGDA-XIRDDKMYSA-N 2 1 275.440 3.342 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001257361962 807124698 /nfs/dbraw/zinc/12/46/98/807124698.db2.gz TXBFDZMGTNHYPW-JJXSEGSLSA-N 2 1 252.446 3.418 20 0 CGADMP CCCCCC[C@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257369899 807127926 /nfs/dbraw/zinc/12/79/26/807127926.db2.gz XBKHFUMJICISFY-HNNXBMFYSA-N 2 1 295.471 3.475 20 0 CGADMP CCCC[C@@H](CC)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001257413264 807143357 /nfs/dbraw/zinc/14/33/57/807143357.db2.gz AZGXSHHWEFWUKC-MRXNPFEDSA-N 2 1 275.440 3.300 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575805 807207906 /nfs/dbraw/zinc/20/79/06/807207906.db2.gz IDVSDBHWOLIHFI-CABCVRRESA-N 2 1 254.462 3.332 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575805 807207912 /nfs/dbraw/zinc/20/79/12/807207912.db2.gz IDVSDBHWOLIHFI-CABCVRRESA-N 2 1 254.462 3.332 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575805 807207917 /nfs/dbraw/zinc/20/79/17/807207917.db2.gz IDVSDBHWOLIHFI-CABCVRRESA-N 2 1 254.462 3.332 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@@H]2CCCSC2)CC1 ZINC001257665618 807209103 /nfs/dbraw/zinc/20/91/03/807209103.db2.gz DTVUKHAFXTYOCI-FVQBIDKESA-N 2 1 282.497 3.397 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1cccc2c1CC[C@@H]2[NH3+] ZINC001167755015 807244339 /nfs/dbraw/zinc/24/43/39/807244339.db2.gz YMBAXCGKSFQVDM-YOEHRIQHSA-N 2 1 287.451 3.309 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001167827237 807255730 /nfs/dbraw/zinc/25/57/30/807255730.db2.gz VEASBYBRBAGXRO-NVXWUHKLSA-N 2 1 290.455 3.124 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001258053199 807279460 /nfs/dbraw/zinc/27/94/60/807279460.db2.gz UYFWKJBMMGFMDM-JYJNAYRXSA-N 2 1 254.462 3.379 20 0 CGADMP C(CC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967561 807287925 /nfs/dbraw/zinc/28/79/25/807287925.db2.gz HCBKEGXHNBJCKW-ALOPSCKCSA-N 2 1 262.441 3.172 20 0 CGADMP FC1(F)CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167961329 807288233 /nfs/dbraw/zinc/28/82/33/807288233.db2.gz IIPKNVIAIOZRMS-GOOCMWNKSA-N 2 1 284.394 3.027 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258074298 807291415 /nfs/dbraw/zinc/29/14/15/807291415.db2.gz IYLMLCANDRIDGP-LSDHHAIUSA-N 2 1 263.429 3.202 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258074298 807291420 /nfs/dbraw/zinc/29/14/20/807291420.db2.gz IYLMLCANDRIDGP-LSDHHAIUSA-N 2 1 263.429 3.202 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258086381 807299096 /nfs/dbraw/zinc/29/90/96/807299096.db2.gz WBFYGVKRTURXBG-SJLPKXTDSA-N 2 1 294.483 3.212 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258086381 807299099 /nfs/dbraw/zinc/29/90/99/807299099.db2.gz WBFYGVKRTURXBG-SJLPKXTDSA-N 2 1 294.483 3.212 20 0 CGADMP C[C@@H]1CC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@@H](C)C1 ZINC001258157115 807326165 /nfs/dbraw/zinc/32/61/65/807326165.db2.gz ZOKBCCGNCZZJTM-GJZGRUSLSA-N 3 1 297.531 3.286 20 0 CGADMP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001258185143 807348644 /nfs/dbraw/zinc/34/86/44/807348644.db2.gz LJVOSRUXWNTEJQ-HUUCEWRRSA-N 2 1 264.413 3.052 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CCSC)CC1 ZINC001258230529 807378155 /nfs/dbraw/zinc/37/81/55/807378155.db2.gz XIJMBJYGWSWYOR-CQSZACIVSA-N 2 1 272.502 3.324 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1C1CC[NH+](CC2CC2)CC1 ZINC001168371561 807397711 /nfs/dbraw/zinc/39/77/11/807397711.db2.gz OEEROWZSVCFALK-ZIAGYGMSSA-N 2 1 250.430 3.124 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCCC(C)(C)C2)CC1 ZINC001258295165 807401803 /nfs/dbraw/zinc/40/18/03/807401803.db2.gz XWJGJAVRMYVDSZ-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168392819 807402284 /nfs/dbraw/zinc/40/22/84/807402284.db2.gz UYXZJTBIZDCQEK-IBGZPJMESA-N 2 1 298.474 3.425 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCc1ccc(OC)cc1 ZINC001258406886 807443036 /nfs/dbraw/zinc/44/30/36/807443036.db2.gz UZBCFIWWISULPG-MRXNPFEDSA-N 2 1 292.467 3.290 20 0 CGADMP Cc1cccc(N([C@H](C)CC2CC2)C2CC[NH2+]CC2)[nH+]1 ZINC001258471048 807469388 /nfs/dbraw/zinc/46/93/88/807469388.db2.gz UWPAUOIAGYBHOE-CQSZACIVSA-N 2 1 273.424 3.137 20 0 CGADMP CCCC1CCC([N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)CC1 ZINC001258533912 807488753 /nfs/dbraw/zinc/48/87/53/807488753.db2.gz CWVHOHGHSZDWHF-HPZPOOBXSA-N 2 1 264.457 3.229 20 0 CGADMP CCCC1CCC([NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)CC1 ZINC001258533912 807488756 /nfs/dbraw/zinc/48/87/56/807488756.db2.gz CWVHOHGHSZDWHF-HPZPOOBXSA-N 2 1 264.457 3.229 20 0 CGADMP CCCC1CCC([NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)CC1 ZINC001258533912 807488760 /nfs/dbraw/zinc/48/87/60/807488760.db2.gz CWVHOHGHSZDWHF-HPZPOOBXSA-N 2 1 264.457 3.229 20 0 CGADMP CCCC1CCC([N@@H+]2CCc3nccn3CC2)CC1 ZINC001258534347 807489946 /nfs/dbraw/zinc/48/99/46/807489946.db2.gz XAKZWZBDERRRIX-UHFFFAOYSA-N 2 1 261.413 3.100 20 0 CGADMP CCCC1CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001258534347 807489948 /nfs/dbraw/zinc/48/99/48/807489948.db2.gz XAKZWZBDERRRIX-UHFFFAOYSA-N 2 1 261.413 3.100 20 0 CGADMP CCCC1CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001258534347 807489949 /nfs/dbraw/zinc/48/99/49/807489949.db2.gz XAKZWZBDERRRIX-UHFFFAOYSA-N 2 1 261.413 3.100 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258676392 807539965 /nfs/dbraw/zinc/53/99/65/807539965.db2.gz BOHZSEWHDQFBTJ-GHMZBOCLSA-N 2 1 289.250 3.451 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)C2 ZINC001169078817 807567255 /nfs/dbraw/zinc/56/72/55/807567255.db2.gz HNBRQKBYKDBLAT-BTTYYORXSA-N 2 1 296.361 3.003 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)C2 ZINC001169078817 807567262 /nfs/dbraw/zinc/56/72/62/807567262.db2.gz HNBRQKBYKDBLAT-BTTYYORXSA-N 2 1 296.361 3.003 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cccc(Cl)c1)C2 ZINC001169092247 807572159 /nfs/dbraw/zinc/57/21/59/807572159.db2.gz ASIPPGVTIZBRPW-PHZGNYQRSA-N 2 1 278.827 3.097 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169093449 807573148 /nfs/dbraw/zinc/57/31/48/807573148.db2.gz HPYSDEHNBJXJPC-WCXIOVBPSA-N 2 1 276.399 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)CC(C)(C)C)C2 ZINC001169097857 807575249 /nfs/dbraw/zinc/57/52/49/807575249.db2.gz CRUOSBJDLHSESK-BTTYYORXSA-N 2 1 252.446 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1c1cccc(Cl)c1)C2 ZINC001169099637 807575778 /nfs/dbraw/zinc/57/57/78/807575778.db2.gz CZQPWEGILSUYHN-ZHCJQAHYSA-N 2 1 290.838 3.411 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3)CCC1)C2 ZINC001169110510 807581328 /nfs/dbraw/zinc/58/13/28/807581328.db2.gz LXMKWPQQXLKGSH-OSYLJGHBSA-N 2 1 288.410 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1cccc(F)c1)C2 ZINC001169115706 807581792 /nfs/dbraw/zinc/58/17/92/807581792.db2.gz NCRFYBQFNIJBHJ-BJWYYQGGSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cncc(Cl)c1 ZINC001169123734 807584778 /nfs/dbraw/zinc/58/47/78/807584778.db2.gz MQYCZZXKRYUQQT-QZKOUSHUSA-N 2 1 279.815 3.011 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncc(Cl)c1 ZINC001169123734 807584782 /nfs/dbraw/zinc/58/47/82/807584782.db2.gz MQYCZZXKRYUQQT-QZKOUSHUSA-N 2 1 279.815 3.011 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139995 807587909 /nfs/dbraw/zinc/58/79/09/807587909.db2.gz HEGHAWCFCYIABK-PIIMJCKOSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCCc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139995 807587912 /nfs/dbraw/zinc/58/79/12/807587912.db2.gz HEGHAWCFCYIABK-PIIMJCKOSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCCc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139995 807587914 /nfs/dbraw/zinc/58/79/14/807587914.db2.gz HEGHAWCFCYIABK-PIIMJCKOSA-N 2 1 272.436 3.176 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169146139 807593517 /nfs/dbraw/zinc/59/35/17/807593517.db2.gz OZRWCDBRIUMSCO-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169146139 807593520 /nfs/dbraw/zinc/59/35/20/807593520.db2.gz OZRWCDBRIUMSCO-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169146139 807593525 /nfs/dbraw/zinc/59/35/25/807593525.db2.gz OZRWCDBRIUMSCO-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001169155187 807595959 /nfs/dbraw/zinc/59/59/59/807595959.db2.gz ZLNXIIUKWOBMSI-OVYGPGRDSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001169155187 807595964 /nfs/dbraw/zinc/59/59/64/807595964.db2.gz ZLNXIIUKWOBMSI-OVYGPGRDSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001169155187 807595965 /nfs/dbraw/zinc/59/59/65/807595965.db2.gz ZLNXIIUKWOBMSI-OVYGPGRDSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001169155187 807595971 /nfs/dbraw/zinc/59/59/71/807595971.db2.gz ZLNXIIUKWOBMSI-OVYGPGRDSA-N 2 1 262.441 3.124 20 0 CGADMP CCCC[C@H](CCC)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258756173 807596594 /nfs/dbraw/zinc/59/65/94/807596594.db2.gz JSDYVXAOWBUNRH-JYJNAYRXSA-N 2 1 282.472 3.316 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001169233071 807610981 /nfs/dbraw/zinc/61/09/81/807610981.db2.gz JEHIDPAEFQBFRG-KRWDZBQOSA-N 2 1 292.854 3.271 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258799815 807621212 /nfs/dbraw/zinc/62/12/12/807621212.db2.gz IRZAUIGDVHQLGQ-CAOSSQGBSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258799815 807621213 /nfs/dbraw/zinc/62/12/13/807621213.db2.gz IRZAUIGDVHQLGQ-CAOSSQGBSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258799815 807621214 /nfs/dbraw/zinc/62/12/14/807621214.db2.gz IRZAUIGDVHQLGQ-CAOSSQGBSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001170077456 807749071 /nfs/dbraw/zinc/74/90/71/807749071.db2.gz JPIUFLJHHPDMKG-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001170077456 807749074 /nfs/dbraw/zinc/74/90/74/807749074.db2.gz JPIUFLJHHPDMKG-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001170077456 807749080 /nfs/dbraw/zinc/74/90/80/807749080.db2.gz JPIUFLJHHPDMKG-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170196125 807792661 /nfs/dbraw/zinc/79/26/61/807792661.db2.gz RXAMVFAYKIPCPP-DKIMLUQUSA-N 2 1 294.483 3.459 20 0 CGADMP Cc1cccc(N([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001170766885 807903909 /nfs/dbraw/zinc/90/39/09/807903909.db2.gz QCFFMEIXFDGNAF-OSYLJGHBSA-N 2 1 299.462 3.383 20 0 CGADMP CN(CCC[N@@H+](C)CCC1CCCCCC1)CC[NH+](C)C ZINC001170864568 807924130 /nfs/dbraw/zinc/92/41/30/807924130.db2.gz ZBAQSPWWSICEIU-UHFFFAOYSA-N 2 1 297.531 3.162 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171100733 807983734 /nfs/dbraw/zinc/98/37/34/807983734.db2.gz PQZRWHXKMIPRGQ-JCYILVPMSA-N 2 1 292.854 3.399 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)C2 ZINC001171551234 808092471 /nfs/dbraw/zinc/09/24/71/808092471.db2.gz BGMDIQIBYOTRKP-WDSOQIARSA-N 2 1 286.463 3.315 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001171551974 808093234 /nfs/dbraw/zinc/09/32/34/808093234.db2.gz SVYIEFDWYDMNLU-FJIDUMEYSA-N 2 1 284.447 3.067 20 0 CGADMP CCCC[N@@H+](CC)CCNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619315 808106938 /nfs/dbraw/zinc/10/69/38/808106938.db2.gz JTLHKXZTSHLHAI-UHFFFAOYSA-N 2 1 297.531 3.349 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1(C)C ZINC001171630792 808108132 /nfs/dbraw/zinc/10/81/32/808108132.db2.gz BVWDQFZANVDUGQ-YPMHNXCESA-N 2 1 286.410 3.225 20 0 CGADMP CC(C)O[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171643059 808111154 /nfs/dbraw/zinc/11/11/54/808111154.db2.gz RBNVRHGAZBUOKS-HNNXBMFYSA-N 2 1 282.472 3.137 20 0 CGADMP C[N@@H+](CCc1cccnc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639233 808111636 /nfs/dbraw/zinc/11/16/36/808111636.db2.gz AKMHCHMBMCNYMW-UHFFFAOYSA-N 2 1 289.467 3.207 20 0 CGADMP CSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962588 808160083 /nfs/dbraw/zinc/16/00/83/808160083.db2.gz CGDQNDNKEPCATB-MRXNPFEDSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965453 808162001 /nfs/dbraw/zinc/16/20/01/808162001.db2.gz RAFRDYYSLMUZGZ-NEPJUHHUSA-N 2 1 288.357 3.163 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC001172098549 808170908 /nfs/dbraw/zinc/17/09/08/808170908.db2.gz AMTHNJPBLGKLDZ-PHZGNYQRSA-N 2 1 280.362 3.070 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099429 808172682 /nfs/dbraw/zinc/17/26/82/808172682.db2.gz HHBLBTSXKQOFHM-DGXTUMSLSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099429 808172685 /nfs/dbraw/zinc/17/26/85/808172685.db2.gz HHBLBTSXKQOFHM-DGXTUMSLSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001172105750 808177056 /nfs/dbraw/zinc/17/70/56/808177056.db2.gz KCMKKJULHJRAAZ-XLMAVXFVSA-N 2 1 287.451 3.384 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(CC3CC3)CC1)C2 ZINC001172109877 808178400 /nfs/dbraw/zinc/17/84/00/808178400.db2.gz GIHSSPFOUMPZAG-MUJYYYPQSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cncc(Cl)c1 ZINC001172108972 808179271 /nfs/dbraw/zinc/17/92/71/808179271.db2.gz FZWZKVNZWLCDDF-BQDHKBFISA-N 2 1 293.842 3.401 20 0 CGADMP Cc1cccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001172112310 808179317 /nfs/dbraw/zinc/17/93/17/808179317.db2.gz UMTNCLYGBRNVFB-OSYLJGHBSA-N 2 1 299.462 3.027 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC13CCCCC3)C2 ZINC001172117555 808180138 /nfs/dbraw/zinc/18/01/38/808180138.db2.gz MGNLMIRHDJPDEA-LVQVYYBASA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC13CCCCC3)C2 ZINC001172117555 808180141 /nfs/dbraw/zinc/18/01/41/808180141.db2.gz MGNLMIRHDJPDEA-LVQVYYBASA-N 2 1 262.441 3.314 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172116054 808181330 /nfs/dbraw/zinc/18/13/30/808181330.db2.gz XMYJTQSIBZBYHS-FRXHMLBDSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172116054 808181333 /nfs/dbraw/zinc/18/13/33/808181333.db2.gz XMYJTQSIBZBYHS-FRXHMLBDSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3cc(CC[NH3+])ccc31)C2 ZINC001172119366 808183091 /nfs/dbraw/zinc/18/30/91/808183091.db2.gz YWFQCBKQQMLZJX-BCDXTJNWSA-N 2 1 297.446 3.330 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](C)(F)CC1)C2 ZINC001172120044 808183578 /nfs/dbraw/zinc/18/35/78/808183578.db2.gz JFAPLZIKYYEMNJ-FZKCQIBNSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](C)(F)CC1)C2 ZINC001172120044 808183582 /nfs/dbraw/zinc/18/35/82/808183582.db2.gz JFAPLZIKYYEMNJ-FZKCQIBNSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@](C)(F)CC1)C2 ZINC001172120044 808183586 /nfs/dbraw/zinc/18/35/86/808183586.db2.gz JFAPLZIKYYEMNJ-FZKCQIBNSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@](C)(F)CC1)C2 ZINC001172120044 808183587 /nfs/dbraw/zinc/18/35/87/808183587.db2.gz JFAPLZIKYYEMNJ-FZKCQIBNSA-N 2 1 268.420 3.216 20 0 CGADMP Cc1ccccc1C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123328 808185286 /nfs/dbraw/zinc/18/52/86/808185286.db2.gz ZWIZQLHHTUMFHT-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123328 808185290 /nfs/dbraw/zinc/18/52/90/808185290.db2.gz ZWIZQLHHTUMFHT-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccccc1C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123328 808185293 /nfs/dbraw/zinc/18/52/93/808185293.db2.gz ZWIZQLHHTUMFHT-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccccc1C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123328 808185294 /nfs/dbraw/zinc/18/52/94/808185294.db2.gz ZWIZQLHHTUMFHT-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP C[N@@H+]([C@@H]1COC(C)(C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001172295946 808218250 /nfs/dbraw/zinc/21/82/50/808218250.db2.gz UNRAQESWACNUEC-KRWDZBQOSA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172335391 808238055 /nfs/dbraw/zinc/23/80/55/808238055.db2.gz FBWAYAYTJAFTPI-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172339447 808240083 /nfs/dbraw/zinc/24/00/83/808240083.db2.gz UPNSGVZDLYNKFS-RYRKJORJSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172339447 808240076 /nfs/dbraw/zinc/24/00/76/808240076.db2.gz UPNSGVZDLYNKFS-RYRKJORJSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001172343487 808242707 /nfs/dbraw/zinc/24/27/07/808242707.db2.gz RWSALMLXEDZTCC-HZPDHXFCSA-N 2 1 284.488 3.386 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172349076 808247144 /nfs/dbraw/zinc/24/71/44/808247144.db2.gz SMFJAIYEOYFADD-HUUCEWRRSA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172349076 808247149 /nfs/dbraw/zinc/24/71/49/808247149.db2.gz SMFJAIYEOYFADD-HUUCEWRRSA-N 2 1 282.472 3.139 20 0 CGADMP CC(C)OCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172432450 808310431 /nfs/dbraw/zinc/31/04/31/808310431.db2.gz AZZRFPCGQSPVIQ-JKSUJKDBSA-N 2 1 270.461 3.044 20 0 CGADMP CC[NH+](CC)C1CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172471218 808339140 /nfs/dbraw/zinc/33/91/40/808339140.db2.gz RIHZTYMYMLHZAO-INIZCTEOSA-N 2 1 284.488 3.244 20 0 CGADMP CCCCCC[C@H](CCCC)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172517182 808369208 /nfs/dbraw/zinc/36/92/08/808369208.db2.gz PNXYBVKYKZKAEJ-HOTGVXAUSA-N 2 1 270.461 3.175 20 0 CGADMP CCCCCC[C@H](CCCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172517182 808369215 /nfs/dbraw/zinc/36/92/15/808369215.db2.gz PNXYBVKYKZKAEJ-HOTGVXAUSA-N 2 1 270.461 3.175 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172547352 808376731 /nfs/dbraw/zinc/37/67/31/808376731.db2.gz WGVLJOJBQJGDKD-JQHSSLGASA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC(C)([NH3+])CC1 ZINC001172856960 808464963 /nfs/dbraw/zinc/46/49/63/808464963.db2.gz BPEBYIOSSNTQDY-NSHDSACASA-N 2 1 284.806 3.223 20 0 CGADMP CCCOC1CCC([NH2+]CC[NH+](CCC)CCC)CC1 ZINC001173090967 808505321 /nfs/dbraw/zinc/50/53/21/808505321.db2.gz LYTICRFDKVHVRU-UHFFFAOYSA-N 2 1 284.488 3.436 20 0 CGADMP CC[C@@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173116991 808515189 /nfs/dbraw/zinc/51/51/89/808515189.db2.gz HOQYIIQRKFBEQP-QQFBHYJXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001173288214 808588604 /nfs/dbraw/zinc/58/86/04/808588604.db2.gz MIIKGOAUNUUFIT-CRAIPNDOSA-N 2 1 294.483 3.140 20 0 CGADMP CCSC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173296287 808597148 /nfs/dbraw/zinc/59/71/48/808597148.db2.gz QYEIWFPELFBBTE-IHRRRGAJSA-N 2 1 258.475 3.108 20 0 CGADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3ccc(Cl)cc32)C1 ZINC001173353706 808628298 /nfs/dbraw/zinc/62/82/98/808628298.db2.gz HRRNJSDVIVYMEW-AWEZNQCLSA-N 2 1 291.826 3.063 20 0 CGADMP Cn1c2ccccc2[nH+]c1Nc1ccccc1C[NH+](C)C ZINC001173928079 808767225 /nfs/dbraw/zinc/76/72/25/808767225.db2.gz WZDMILSNOJSHPV-UHFFFAOYSA-N 2 1 280.375 3.379 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCc1ccc(F)cc1)CC2 ZINC001274879338 808890182 /nfs/dbraw/zinc/89/01/82/808890182.db2.gz KIFMSSGADWJBFZ-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCc3cccs3)C2)C1 ZINC001274989717 808896542 /nfs/dbraw/zinc/89/65/42/808896542.db2.gz CXCFSCJCWLHMAT-MRXNPFEDSA-N 2 1 278.465 3.098 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCc3cccs3)C2)C1 ZINC001274989717 808896547 /nfs/dbraw/zinc/89/65/47/808896547.db2.gz CXCFSCJCWLHMAT-MRXNPFEDSA-N 2 1 278.465 3.098 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCc3cccs3)C2)C1 ZINC001274989717 808896555 /nfs/dbraw/zinc/89/65/55/808896555.db2.gz CXCFSCJCWLHMAT-MRXNPFEDSA-N 2 1 278.465 3.098 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CCc3ccccc3)CC2)C1 ZINC001275089015 808905989 /nfs/dbraw/zinc/90/59/89/808905989.db2.gz LZBCMUQWLNWCAQ-UHFFFAOYSA-N 2 1 272.436 3.037 20 0 CGADMP CC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275086000 808906730 /nfs/dbraw/zinc/90/67/30/808906730.db2.gz BNKPOFCQGNNQRH-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP CC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275086000 808906739 /nfs/dbraw/zinc/90/67/39/808906739.db2.gz BNKPOFCQGNNQRH-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP CC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275086000 808906744 /nfs/dbraw/zinc/90/67/44/808906744.db2.gz BNKPOFCQGNNQRH-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC001275891059 808973509 /nfs/dbraw/zinc/97/35/09/808973509.db2.gz QRAOZCSRIFOFEO-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001275916419 808976304 /nfs/dbraw/zinc/97/63/04/808976304.db2.gz LDMRUNNITQVVKG-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001275916419 808976309 /nfs/dbraw/zinc/97/63/09/808976309.db2.gz LDMRUNNITQVVKG-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001275916419 808976313 /nfs/dbraw/zinc/97/63/13/808976313.db2.gz LDMRUNNITQVVKG-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(Cl)c3)C[C@H]2CC1 ZINC001275952350 808978751 /nfs/dbraw/zinc/97/87/51/808978751.db2.gz DLXYPSYNXCXRKX-OKILXGFUSA-N 2 1 296.817 3.253 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276121032 808989714 /nfs/dbraw/zinc/98/97/14/808989714.db2.gz QXEJBODJIGTDGS-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(C)c3F)(C1)CCC2 ZINC001276304539 809000562 /nfs/dbraw/zinc/00/05/62/809000562.db2.gz HJHNIFAQEILOFD-DLBZAZTESA-N 2 1 276.399 3.289 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCc3ccccc3F)C2)C1 ZINC001276727654 809025962 /nfs/dbraw/zinc/02/59/62/809025962.db2.gz ZDIGLBVRFZFKSG-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCc3ccccc3F)C2)C1 ZINC001276727654 809025963 /nfs/dbraw/zinc/02/59/63/809025963.db2.gz ZDIGLBVRFZFKSG-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCc3ccccc3F)C2)C1 ZINC001276727654 809025970 /nfs/dbraw/zinc/02/59/70/809025970.db2.gz ZDIGLBVRFZFKSG-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCc3ccccc3F)C2)C1 ZINC001276727654 809025974 /nfs/dbraw/zinc/02/59/74/809025974.db2.gz ZDIGLBVRFZFKSG-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3c1CCC3)C2 ZINC001277477891 809077291 /nfs/dbraw/zinc/07/72/91/809077291.db2.gz CXJQWCRHLOVLDF-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3c1CCC3)C2 ZINC001277477891 809077295 /nfs/dbraw/zinc/07/72/95/809077295.db2.gz CXJQWCRHLOVLDF-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001277477891 809077300 /nfs/dbraw/zinc/07/73/00/809077300.db2.gz CXJQWCRHLOVLDF-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001175069899 809259323 /nfs/dbraw/zinc/25/93/23/809259323.db2.gz JNUJZOMDQLMHNN-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001175069899 809259326 /nfs/dbraw/zinc/25/93/26/809259326.db2.gz JNUJZOMDQLMHNN-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001175069899 809259329 /nfs/dbraw/zinc/25/93/29/809259329.db2.gz JNUJZOMDQLMHNN-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001175069899 809259333 /nfs/dbraw/zinc/25/93/33/809259333.db2.gz JNUJZOMDQLMHNN-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+](C)Cc1ccc(Nc2ccc3c(c2)C[N@H+](C)CC3)cc1 ZINC001176295733 809664704 /nfs/dbraw/zinc/66/47/04/809664704.db2.gz OAGHLMAEBKFUJT-UHFFFAOYSA-N 2 1 295.430 3.480 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)[NH+]1CCCC1 ZINC001177222804 809788046 /nfs/dbraw/zinc/78/80/46/809788046.db2.gz QAOJSDCDBYRZRC-KLHDSHLOSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Cl)s1 ZINC001177913066 809830998 /nfs/dbraw/zinc/83/09/98/809830998.db2.gz UTZQZBXCCXRTKP-UHFFFAOYSA-N 2 1 283.828 3.476 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC001178872126 809892474 /nfs/dbraw/zinc/89/24/74/809892474.db2.gz FDCFHTXRXHSEED-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc4ccccc34)[C@H]2C1 ZINC001179817227 809948840 /nfs/dbraw/zinc/94/88/40/809948840.db2.gz PAHXJTUUAGYUIA-VBNZEHGJSA-N 2 1 286.444 3.331 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cnc1Cl ZINC001199420076 811576691 /nfs/dbraw/zinc/57/66/91/811576691.db2.gz GRJPUCMAUKYTTQ-UHFFFAOYSA-N 2 1 295.858 3.396 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001199842428 811603016 /nfs/dbraw/zinc/60/30/16/811603016.db2.gz JANODDPPSXAUND-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP CCOc1ccccc1C[NH2+]CCCCn1cc[nH+]c1C ZINC001200715197 811737565 /nfs/dbraw/zinc/73/75/65/811737565.db2.gz RGOQVNSIMBFKBL-UHFFFAOYSA-N 2 1 287.407 3.160 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201516804 811877625 /nfs/dbraw/zinc/87/76/25/811877625.db2.gz CBTFGDWIGKMTHP-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201516804 811877632 /nfs/dbraw/zinc/87/76/32/811877632.db2.gz CBTFGDWIGKMTHP-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201516804 811877639 /nfs/dbraw/zinc/87/76/39/811877639.db2.gz CBTFGDWIGKMTHP-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001201613965 811921709 /nfs/dbraw/zinc/92/17/09/811921709.db2.gz BBBKHCQOJCNMFZ-HUUCEWRRSA-N 2 1 278.465 3.158 20 0 CGADMP CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201640861 811928785 /nfs/dbraw/zinc/92/87/85/811928785.db2.gz FRDPBSSNXVJXMX-JQHSSLGASA-N 2 1 287.451 3.024 20 0 CGADMP CCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201640861 811928788 /nfs/dbraw/zinc/92/87/88/811928788.db2.gz FRDPBSSNXVJXMX-JQHSSLGASA-N 2 1 287.451 3.024 20 0 CGADMP CCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201640861 811928792 /nfs/dbraw/zinc/92/87/92/811928792.db2.gz FRDPBSSNXVJXMX-JQHSSLGASA-N 2 1 287.451 3.024 20 0 CGADMP CCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201640861 811928796 /nfs/dbraw/zinc/92/87/96/811928796.db2.gz FRDPBSSNXVJXMX-JQHSSLGASA-N 2 1 287.451 3.024 20 0 CGADMP CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717254 811945719 /nfs/dbraw/zinc/94/57/19/811945719.db2.gz IPSQGVJEGRFBFL-ROUUACIJSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717254 811945723 /nfs/dbraw/zinc/94/57/23/811945723.db2.gz IPSQGVJEGRFBFL-ROUUACIJSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717254 811945726 /nfs/dbraw/zinc/94/57/26/811945726.db2.gz IPSQGVJEGRFBFL-ROUUACIJSA-N 2 1 272.436 3.240 20 0 CGADMP CCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001201725940 811948313 /nfs/dbraw/zinc/94/83/13/811948313.db2.gz AMKZHXJICKDKNW-HUUCEWRRSA-N 2 1 278.465 3.302 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1CCC1 ZINC001202762924 812169595 /nfs/dbraw/zinc/16/95/95/812169595.db2.gz UFUAXULCDDTAMP-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001202762924 812169600 /nfs/dbraw/zinc/16/96/00/812169600.db2.gz UFUAXULCDDTAMP-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001202762924 812169605 /nfs/dbraw/zinc/16/96/05/812169605.db2.gz UFUAXULCDDTAMP-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP CCC1(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)COC1 ZINC001202965656 812211541 /nfs/dbraw/zinc/21/15/41/812211541.db2.gz JWVAZPIIOKYQFI-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CCO[C@@H](C[NH2+]C[C@H](C)CC1CCCCC1)C[NH+](C)C ZINC001203633917 812412653 /nfs/dbraw/zinc/41/26/53/812412653.db2.gz KOLWDWWLTLETJE-WBVHZDCISA-N 2 1 284.488 3.149 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001204000137 812514399 /nfs/dbraw/zinc/51/43/99/812514399.db2.gz VZWHJHIABTXILM-RTBURBONSA-N 2 1 280.415 3.223 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001204000137 812514401 /nfs/dbraw/zinc/51/44/01/812514401.db2.gz VZWHJHIABTXILM-RTBURBONSA-N 2 1 280.415 3.223 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(OC)CCCCCC2)[C@H](C)C1 ZINC001204247925 812587862 /nfs/dbraw/zinc/58/78/62/812587862.db2.gz CUCOVLUWTVQPQQ-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(OC)CCCCCC2)[C@H](C)C1 ZINC001204247925 812587866 /nfs/dbraw/zinc/58/78/66/812587866.db2.gz CUCOVLUWTVQPQQ-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(OC)CCCCCC2)[C@H](C)C1 ZINC001204247925 812587869 /nfs/dbraw/zinc/58/78/69/812587869.db2.gz CUCOVLUWTVQPQQ-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC001204266827 812592487 /nfs/dbraw/zinc/59/24/87/812592487.db2.gz NLHIXCITHTYHEY-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC001204285141 812598324 /nfs/dbraw/zinc/59/83/24/812598324.db2.gz MHXYGAWQEVLDGP-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP Cc1ccc(CN2CCC([N@@H+](C)C3CC3)CC2)cc1C ZINC001204354293 812617902 /nfs/dbraw/zinc/61/79/02/812617902.db2.gz BJCZUUNPHFDHGH-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204597945 812686132 /nfs/dbraw/zinc/68/61/32/812686132.db2.gz CREXGFBDYMATML-OKILXGFUSA-N 2 1 258.409 3.095 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204604630 812686778 /nfs/dbraw/zinc/68/67/78/812686778.db2.gz TZVVOUPZPAQVDX-GDBMZVCRSA-N 2 1 296.405 3.388 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204604630 812686782 /nfs/dbraw/zinc/68/67/82/812686782.db2.gz TZVVOUPZPAQVDX-GDBMZVCRSA-N 2 1 296.405 3.388 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001204763401 812729289 /nfs/dbraw/zinc/72/92/89/812729289.db2.gz IWITWLDTZROSHQ-CQSZACIVSA-N 2 1 287.234 3.349 20 0 CGADMP C[C@@]1([NH3+])CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001204763401 812729294 /nfs/dbraw/zinc/72/92/94/812729294.db2.gz IWITWLDTZROSHQ-CQSZACIVSA-N 2 1 287.234 3.349 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])[C@H](C)Cc1ccc(OC)cc1 ZINC001204870614 812758937 /nfs/dbraw/zinc/75/89/37/812758937.db2.gz YKOXMBSROXRILQ-MRXNPFEDSA-N 2 1 292.467 3.467 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204938486 812787208 /nfs/dbraw/zinc/78/72/08/812787208.db2.gz LXDGWNRFPQGVBB-SFHVURJKSA-N 2 1 268.404 3.461 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(C)c2OC(C)C)C1 ZINC001205018769 812828766 /nfs/dbraw/zinc/82/87/66/812828766.db2.gz YZXSYMSCTSVVQV-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C)c2OC(C)C)C1 ZINC001205018769 812828777 /nfs/dbraw/zinc/82/87/77/812828777.db2.gz YZXSYMSCTSVVQV-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)ccc2OC(C)C)C1 ZINC001205017961 812829289 /nfs/dbraw/zinc/82/92/89/812829289.db2.gz QDGGWLBRVUXBOJ-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)ccc2OC(C)C)C1 ZINC001205017961 812829297 /nfs/dbraw/zinc/82/92/97/812829297.db2.gz QDGGWLBRVUXBOJ-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001205101182 812864527 /nfs/dbraw/zinc/86/45/27/812864527.db2.gz AYNDKGIGNVHZBF-LBPRGKRZSA-N 2 1 277.799 3.135 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001205101687 812865061 /nfs/dbraw/zinc/86/50/61/812865061.db2.gz JDSLNBJSVJMUAJ-INIZCTEOSA-N 2 1 297.402 3.187 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001205101687 812865068 /nfs/dbraw/zinc/86/50/68/812865068.db2.gz JDSLNBJSVJMUAJ-INIZCTEOSA-N 2 1 297.402 3.187 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC001205101525 812865107 /nfs/dbraw/zinc/86/51/07/812865107.db2.gz HWZHKTYKTMCFRG-GOSISDBHSA-N 2 1 281.403 3.062 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109316 812868504 /nfs/dbraw/zinc/86/85/04/812868504.db2.gz FAFWWQOFQDZLMC-MRXNPFEDSA-N 2 1 268.404 3.461 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC001205110470 812870908 /nfs/dbraw/zinc/87/09/08/812870908.db2.gz SVQMBARXRZXUKT-CYBMUJFWSA-N 2 1 260.406 3.215 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001205110636 812870961 /nfs/dbraw/zinc/87/09/61/812870961.db2.gz XKXCWLCQYRDVFU-GOSISDBHSA-N 2 1 281.403 3.062 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1C(C)C ZINC001205109406 812871901 /nfs/dbraw/zinc/87/19/01/812871901.db2.gz GHSHZOXGTDIRFH-INIZCTEOSA-N 2 1 290.451 3.440 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117104 812874316 /nfs/dbraw/zinc/87/43/16/812874316.db2.gz KRDALPGTUMILPU-CQSZACIVSA-N 2 1 286.341 3.327 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3sccc32)CC1 ZINC001205123963 812877127 /nfs/dbraw/zinc/87/71/27/812877127.db2.gz HUMITAYJXPJOCH-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC1 ZINC001205124656 812879393 /nfs/dbraw/zinc/87/93/93/812879393.db2.gz XGUZBBQQZFLNAU-INIZCTEOSA-N 2 1 281.403 3.062 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)s1 ZINC001205265720 812922235 /nfs/dbraw/zinc/92/22/35/812922235.db2.gz QXAAQIXESQOADJ-AWEZNQCLSA-N 2 1 252.427 3.068 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)C[C@@H]1C[NH3+] ZINC001205296019 812935590 /nfs/dbraw/zinc/93/55/90/812935590.db2.gz DTBBXJFOSKOMBP-SJORKVTESA-N 2 1 286.463 3.415 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205295878 812936506 /nfs/dbraw/zinc/93/65/06/812936506.db2.gz BXCJYNIOVBHDDJ-INIZCTEOSA-N 2 1 263.429 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205303614 812942487 /nfs/dbraw/zinc/94/24/87/812942487.db2.gz IPEVLPYCMVUCSR-SMDDNHRTSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205303614 812942489 /nfs/dbraw/zinc/94/24/89/812942489.db2.gz IPEVLPYCMVUCSR-SMDDNHRTSA-N 2 1 266.816 3.065 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C[C@@H]1C[NH3+] ZINC001205318192 812950170 /nfs/dbraw/zinc/95/01/70/812950170.db2.gz SRTXPKRHJHPPEC-WFASDCNBSA-N 2 1 276.399 3.120 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205317960 812950408 /nfs/dbraw/zinc/95/04/08/812950408.db2.gz QZOCATYMQAAKAD-TZMCWYRMSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205317960 812950415 /nfs/dbraw/zinc/95/04/15/812950415.db2.gz QZOCATYMQAAKAD-TZMCWYRMSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318317 812950835 /nfs/dbraw/zinc/95/08/35/812950835.db2.gz UCRPQKZHMSQGPV-NVXWUHKLSA-N 2 1 290.451 3.199 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cccccc2-3)C[C@H]1C[NH3+] ZINC001205317389 812951164 /nfs/dbraw/zinc/95/11/64/812951164.db2.gz ORCGZDQROIGQQR-RHSMWYFYSA-N 2 1 268.404 3.208 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)C[C@@H]1C[NH3+] ZINC001205319094 812951890 /nfs/dbraw/zinc/95/18/90/812951890.db2.gz YRFHOWIGBGEIOT-ZFWWWQNUSA-N 2 1 286.394 3.396 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205332043 812958497 /nfs/dbraw/zinc/95/84/97/812958497.db2.gz MURKDCQLRWPTMW-CQSZACIVSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205332043 812958503 /nfs/dbraw/zinc/95/85/03/812958503.db2.gz MURKDCQLRWPTMW-CQSZACIVSA-N 2 1 258.409 3.138 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205340161 812963754 /nfs/dbraw/zinc/96/37/54/812963754.db2.gz PIKLUKICBXMFCI-MRXNPFEDSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205340161 812963761 /nfs/dbraw/zinc/96/37/61/812963761.db2.gz PIKLUKICBXMFCI-MRXNPFEDSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205578640 813010773 /nfs/dbraw/zinc/01/07/73/813010773.db2.gz HYTFRDZZKJXESM-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592068 813014493 /nfs/dbraw/zinc/01/44/93/813014493.db2.gz QXHXIDROUYUYMB-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602561 813019038 /nfs/dbraw/zinc/01/90/38/813019038.db2.gz JPQWJEJWCKFOAZ-ZFWWWQNUSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001205603503 813019598 /nfs/dbraw/zinc/01/95/98/813019598.db2.gz PKXUWFHTFIDSRX-OCCSQVGLSA-N 2 1 266.816 3.147 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205602392 813020264 /nfs/dbraw/zinc/02/02/64/813020264.db2.gz IQUZZAVZJVBXBG-KRWDZBQOSA-N 2 1 294.414 3.047 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(F)cc23)CC[C@@H]1C[NH3+] ZINC001205616069 813027145 /nfs/dbraw/zinc/02/71/45/813027145.db2.gz CUWYEDSGDCEECO-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP CCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205617691 813028051 /nfs/dbraw/zinc/02/80/51/813028051.db2.gz MJPMZXIAYPMRLM-HOTGVXAUSA-N 2 1 290.451 3.282 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c2c1 ZINC001205618932 813028419 /nfs/dbraw/zinc/02/84/19/813028419.db2.gz ZIXXYBXYTAVATM-GJZGRUSLSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)CC[C@H]1C[NH3+] ZINC001205618277 813028750 /nfs/dbraw/zinc/02/87/50/813028750.db2.gz UAWQFMMPCDZVDB-ZFWWWQNUSA-N 2 1 272.392 3.240 20 0 CGADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c[nH]c2c1 ZINC001205618944 813029384 /nfs/dbraw/zinc/02/93/84/813029384.db2.gz ZKXKXHLLGPNXCF-GJZGRUSLSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)CC[C@H]1C[NH3+] ZINC001205618960 813031148 /nfs/dbraw/zinc/03/11/48/813031148.db2.gz ZREMSIUPINKSED-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2coc3ccccc23)CC[C@H]1C[NH3+] ZINC001205625266 813032546 /nfs/dbraw/zinc/03/25/46/813032546.db2.gz AQJRCBRHMOWLSU-KGLIPLIRSA-N 2 1 272.392 3.240 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205625988 813033352 /nfs/dbraw/zinc/03/33/52/813033352.db2.gz DJSLSUHCECHYTG-SUMWQHHRSA-N 2 1 274.452 3.419 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205636116 813036501 /nfs/dbraw/zinc/03/65/01/813036501.db2.gz CGVZLUNDHXHKFZ-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)sc1C ZINC001205638939 813038143 /nfs/dbraw/zinc/03/81/43/813038143.db2.gz TVFASCKOYNEOGQ-SMDDNHRTSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1C[NH3+] ZINC001205638709 813038866 /nfs/dbraw/zinc/03/88/66/813038866.db2.gz RGTWCUXMLZMCEJ-KDOFPFPSSA-N 2 1 272.436 3.371 20 0 CGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H](C)CC(C)C ZINC001205677665 813049815 /nfs/dbraw/zinc/04/98/15/813049815.db2.gz FKIMLESNXHIETC-MSOLQXFVSA-N 2 1 297.531 3.017 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205803996 813085266 /nfs/dbraw/zinc/08/52/66/813085266.db2.gz LFCANOWAVJNIAW-HOCLYGCPSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205803996 813085275 /nfs/dbraw/zinc/08/52/75/813085275.db2.gz LFCANOWAVJNIAW-HOCLYGCPSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205806318 813089207 /nfs/dbraw/zinc/08/92/07/813089207.db2.gz TYOMJUKIEYIILO-GXTWGEPZSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205806318 813089214 /nfs/dbraw/zinc/08/92/14/813089214.db2.gz TYOMJUKIEYIILO-GXTWGEPZSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205816763 813094094 /nfs/dbraw/zinc/09/40/94/813094094.db2.gz OCYJTVWCUAZUIW-ZFWWWQNUSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205816763 813094103 /nfs/dbraw/zinc/09/41/03/813094103.db2.gz OCYJTVWCUAZUIW-ZFWWWQNUSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2C2CC2)C1 ZINC001205816344 813095241 /nfs/dbraw/zinc/09/52/41/813095241.db2.gz MBSWIBCGHPZLLP-XJKSGUPXSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001205816344 813095249 /nfs/dbraw/zinc/09/52/49/813095249.db2.gz MBSWIBCGHPZLLP-XJKSGUPXSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1ccccc1Cl ZINC001205901275 813123534 /nfs/dbraw/zinc/12/35/34/813123534.db2.gz CDXQPYBGTDVVRK-ZFWWWQNUSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205903609 813126379 /nfs/dbraw/zinc/12/63/79/813126379.db2.gz QGVYXUYZHGVCGX-UKRRQHHQSA-N 2 1 280.843 3.332 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205904618 813126823 /nfs/dbraw/zinc/12/68/23/813126823.db2.gz WDBPOSXFUCLUJP-HRCADAONSA-N 2 1 252.446 3.428 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205914043 813131763 /nfs/dbraw/zinc/13/17/63/813131763.db2.gz KTTOHPSRXDJBJH-CABCVRRESA-N 2 1 260.425 3.369 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205917226 813132309 /nfs/dbraw/zinc/13/23/09/813132309.db2.gz XSEHEVDJGFSRTO-GOEBONIOSA-N 2 1 260.425 3.117 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c2ccoc2ccc1F ZINC001205922959 813134509 /nfs/dbraw/zinc/13/45/09/813134509.db2.gz FLOIXXSMOPESSK-RYUDHWBXSA-N 2 1 276.355 3.131 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c2ccoc2ccc1F ZINC001205922959 813134511 /nfs/dbraw/zinc/13/45/11/813134511.db2.gz FLOIXXSMOPESSK-RYUDHWBXSA-N 2 1 276.355 3.131 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923511 813136097 /nfs/dbraw/zinc/13/60/97/813136097.db2.gz OVDMKTWGRKTDHA-VXGBXAGGSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923511 813136099 /nfs/dbraw/zinc/13/60/99/813136099.db2.gz OVDMKTWGRKTDHA-VXGBXAGGSA-N 2 1 284.806 3.347 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001205931884 813139170 /nfs/dbraw/zinc/13/91/70/813139170.db2.gz MADYIEWJGBTVHO-KRWDZBQOSA-N 2 1 254.377 3.153 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001205931884 813139172 /nfs/dbraw/zinc/13/91/72/813139172.db2.gz MADYIEWJGBTVHO-KRWDZBQOSA-N 2 1 254.377 3.153 20 0 CGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)CCC[C@@H]1C[NH3+] ZINC001205982200 813151342 /nfs/dbraw/zinc/15/13/42/813151342.db2.gz LNZJAQCWHIBBBR-GDBMZVCRSA-N 2 1 252.446 3.264 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001205980994 813151891 /nfs/dbraw/zinc/15/18/91/813151891.db2.gz AQIQXBABDYFDKD-CVEARBPZSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206012767 813165232 /nfs/dbraw/zinc/16/52/32/813165232.db2.gz NQFMTSXDBODJDF-KSSFIOAISA-N 2 1 272.436 3.371 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206012546 813165436 /nfs/dbraw/zinc/16/54/36/813165436.db2.gz MDJMGKRZTIMRAD-RHSMWYFYSA-N 2 1 260.425 3.056 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206023832 813168699 /nfs/dbraw/zinc/16/86/99/813168699.db2.gz GUJLVHDYHJLQEH-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ccoc32)CCC[C@H]1C[NH3+] ZINC001206023740 813168789 /nfs/dbraw/zinc/16/87/89/813168789.db2.gz GJTIUSSVGNIZKU-ZFWWWQNUSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc3cc[nH]c32)CCC[C@H]1C[NH3+] ZINC001206035095 813175809 /nfs/dbraw/zinc/17/58/09/813175809.db2.gz BSFXOYRPVVGZIM-OCCSQVGLSA-N 2 1 289.398 3.114 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1F ZINC001206164543 813220844 /nfs/dbraw/zinc/22/08/44/813220844.db2.gz KILWJRRALYONTJ-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1F ZINC001206164543 813220849 /nfs/dbraw/zinc/22/08/49/813220849.db2.gz KILWJRRALYONTJ-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188936 813233422 /nfs/dbraw/zinc/23/34/22/813233422.db2.gz WIVAJNKABCKDEF-JKSUJKDBSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188936 813233426 /nfs/dbraw/zinc/23/34/26/813233426.db2.gz WIVAJNKABCKDEF-JKSUJKDBSA-N 2 1 294.414 3.043 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@@H]1F ZINC001206196672 813236223 /nfs/dbraw/zinc/23/62/23/813236223.db2.gz CKHBGCBIOVNHJW-DLBZAZTESA-N 2 1 276.399 3.215 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206201100 813237716 /nfs/dbraw/zinc/23/77/16/813237716.db2.gz VPNPEWCQUSXYDW-GJZGRUSLSA-N 2 1 284.806 3.218 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC001206304407 813280369 /nfs/dbraw/zinc/28/03/69/813280369.db2.gz KBTBXXDFGHQFEO-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1F ZINC001206317627 813286701 /nfs/dbraw/zinc/28/67/01/813286701.db2.gz IERHPVRGRZFMCQ-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3cccnc3s2)CC1 ZINC001206318823 813286998 /nfs/dbraw/zinc/28/69/98/813286998.db2.gz UPVQOKHBZHXDCB-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206324395 813288561 /nfs/dbraw/zinc/28/85/61/813288561.db2.gz AKLBJNKDBKQHMN-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(C)c1 ZINC001206344967 813297371 /nfs/dbraw/zinc/29/73/71/813297371.db2.gz YPZVLODBVXFNIT-QGZVFWFLSA-N 2 1 278.415 3.265 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001206361804 813302932 /nfs/dbraw/zinc/30/29/32/813302932.db2.gz LAVAWYYELVUJCU-SFHVURJKSA-N 2 1 290.426 3.218 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001206361804 813302940 /nfs/dbraw/zinc/30/29/40/813302940.db2.gz LAVAWYYELVUJCU-SFHVURJKSA-N 2 1 290.426 3.218 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206554818 813351158 /nfs/dbraw/zinc/35/11/58/813351158.db2.gz FYTPYCHRDZXRSI-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556903 813351691 /nfs/dbraw/zinc/35/16/91/813351691.db2.gz ZNCUPJNOHKQZGF-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556903 813351695 /nfs/dbraw/zinc/35/16/95/813351695.db2.gz ZNCUPJNOHKQZGF-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001206563257 813354471 /nfs/dbraw/zinc/35/44/71/813354471.db2.gz AKCVDWXSABBYPU-LJQANCHMSA-N 2 1 297.446 3.428 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206572880 813359183 /nfs/dbraw/zinc/35/91/83/813359183.db2.gz GYHNQPBHYAUSFB-KRWDZBQOSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001206581566 813361671 /nfs/dbraw/zinc/36/16/71/813361671.db2.gz KHHAZNRHMZQFAW-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206581003 813361810 /nfs/dbraw/zinc/36/18/10/813361810.db2.gz HCCVICYZRZPEPJ-KRWDZBQOSA-N 2 1 260.425 3.348 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(C)cc1O ZINC001206590011 813366875 /nfs/dbraw/zinc/36/68/75/813366875.db2.gz KKTXPXHUQHNJEC-KRWDZBQOSA-N 2 1 290.451 3.362 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001206640869 813383587 /nfs/dbraw/zinc/38/35/87/813383587.db2.gz OHHFTHLNBUUBDS-INIZCTEOSA-N 2 1 295.430 3.309 20 0 CGADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1C(F)F ZINC001206641453 813383874 /nfs/dbraw/zinc/38/38/74/813383874.db2.gz XPEKIXJTUNKYRP-CYBMUJFWSA-N 2 1 298.377 3.194 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206649569 813387456 /nfs/dbraw/zinc/38/74/56/813387456.db2.gz WCEHJWCXUPJRBU-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206649569 813387464 /nfs/dbraw/zinc/38/74/64/813387464.db2.gz WCEHJWCXUPJRBU-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206648562 813387745 /nfs/dbraw/zinc/38/77/45/813387745.db2.gz MXJRVICDSGUMCY-AWEZNQCLSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206648562 813387752 /nfs/dbraw/zinc/38/77/52/813387752.db2.gz MXJRVICDSGUMCY-AWEZNQCLSA-N 2 1 294.414 3.174 20 0 CGADMP CC[C@@H]([NH3+])C[NH+]1CCC(Cc2cccc(Cl)c2)CC1 ZINC001206704410 813402828 /nfs/dbraw/zinc/40/28/28/813402828.db2.gz SDTJJYSERCRNQG-MRXNPFEDSA-N 2 1 280.843 3.332 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001206730303 813409522 /nfs/dbraw/zinc/40/95/22/813409522.db2.gz QZLIZLDAQKGQOH-UHFFFAOYSA-N 2 1 284.378 3.273 20 0 CGADMP Cc1ccnc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001206853875 813454165 /nfs/dbraw/zinc/45/41/65/813454165.db2.gz GRMSWWQCQJEOOV-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1ccnc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001206853875 813454169 /nfs/dbraw/zinc/45/41/69/813454169.db2.gz GRMSWWQCQJEOOV-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207282723 813533810 /nfs/dbraw/zinc/53/38/10/813533810.db2.gz NEHYAIGWRJWBSZ-QGZVFWFLSA-N 2 1 290.451 3.420 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)CC1 ZINC001207398562 813556451 /nfs/dbraw/zinc/55/64/51/813556451.db2.gz ZXAOTUKKIXNFFI-HNNXBMFYSA-N 2 1 292.854 3.471 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207441885 813566039 /nfs/dbraw/zinc/56/60/39/813566039.db2.gz NQGJDSUYAQYIKT-SFHVURJKSA-N 2 1 286.463 3.331 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001207485248 813573264 /nfs/dbraw/zinc/57/32/64/813573264.db2.gz VPXSDSBWDFHUGH-INIZCTEOSA-N 2 1 290.426 3.347 20 0 CGADMP CC[N@H+](CCCc1ccccc1F)CCC[NH+](C)C ZINC001207496609 813578453 /nfs/dbraw/zinc/57/84/53/813578453.db2.gz PEOBFQVPPXATND-UHFFFAOYSA-N 2 1 266.404 3.032 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001207517923 813583226 /nfs/dbraw/zinc/58/32/26/813583226.db2.gz IMJJVLYZFCSMOS-UHFFFAOYSA-N 2 1 290.426 3.319 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207625060 813618341 /nfs/dbraw/zinc/61/83/41/813618341.db2.gz LOVDSUSQJCRTIT-GVDBMIGSSA-N 2 1 297.446 3.141 20 0 CGADMP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)CCC[C@@H]1C ZINC001208105733 813692733 /nfs/dbraw/zinc/69/27/33/813692733.db2.gz BEJVEBROFSJQAH-GJZGRUSLSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001208110177 813694178 /nfs/dbraw/zinc/69/41/78/813694178.db2.gz XGSVMTAWXRKCLB-INIZCTEOSA-N 2 1 258.409 3.165 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC001208152858 813710446 /nfs/dbraw/zinc/71/04/46/813710446.db2.gz AMMFBPYZVGMMDP-CQSZACIVSA-N 2 1 278.440 3.355 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC001208159278 813716367 /nfs/dbraw/zinc/71/63/67/813716367.db2.gz BKOAUNCAGQNXIS-AWEZNQCLSA-N 2 1 278.440 3.498 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC001208159278 813716369 /nfs/dbraw/zinc/71/63/69/813716369.db2.gz BKOAUNCAGQNXIS-AWEZNQCLSA-N 2 1 278.440 3.498 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3cc(C)ccc3C2)CC1 ZINC001208602632 813770976 /nfs/dbraw/zinc/77/09/76/813770976.db2.gz KKYWLIDMXMDZJL-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP CC[NH+]1CCC(C[N@H+](C)Cc2csc(C(C)C)n2)CC1 ZINC001208597652 813771021 /nfs/dbraw/zinc/77/10/21/813771021.db2.gz KFQLPRUPMHRKLT-UHFFFAOYSA-N 2 1 295.496 3.430 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2csc(C(C)C)n2)CC1 ZINC001208597652 813771025 /nfs/dbraw/zinc/77/10/25/813771025.db2.gz KFQLPRUPMHRKLT-UHFFFAOYSA-N 2 1 295.496 3.430 20 0 CGADMP CC(C)CCC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001208734389 813821820 /nfs/dbraw/zinc/82/18/20/813821820.db2.gz AVZZFRDMKNFRRY-CALCHBBNSA-N 2 1 290.451 3.470 20 0 CGADMP CC(C)CCC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001208734389 813821834 /nfs/dbraw/zinc/82/18/34/813821834.db2.gz AVZZFRDMKNFRRY-CALCHBBNSA-N 2 1 290.451 3.470 20 0 CGADMP CC(C)CCC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001208734389 813821845 /nfs/dbraw/zinc/82/18/45/813821845.db2.gz AVZZFRDMKNFRRY-CALCHBBNSA-N 2 1 290.451 3.470 20 0 CGADMP CC(C)CCC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001208734389 813821852 /nfs/dbraw/zinc/82/18/52/813821852.db2.gz AVZZFRDMKNFRRY-CALCHBBNSA-N 2 1 290.451 3.470 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001208733771 813823667 /nfs/dbraw/zinc/82/36/67/813823667.db2.gz HDIBLRUNVWNMTH-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)CCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001208733771 813823677 /nfs/dbraw/zinc/82/36/77/813823677.db2.gz HDIBLRUNVWNMTH-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001208733771 813823688 /nfs/dbraw/zinc/82/36/88/813823688.db2.gz HDIBLRUNVWNMTH-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)CCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001208733771 813823700 /nfs/dbraw/zinc/82/37/00/813823700.db2.gz HDIBLRUNVWNMTH-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)CCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001208733771 813823709 /nfs/dbraw/zinc/82/37/09/813823709.db2.gz HDIBLRUNVWNMTH-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CC3(C)CCCCC3)C2)CC1 ZINC001208902537 813892000 /nfs/dbraw/zinc/89/20/00/813892000.db2.gz LHXBKZRVMDZQJL-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@]1(F)CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940533 813906764 /nfs/dbraw/zinc/90/67/64/813906764.db2.gz DEDKLUATOIFXMH-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@]1(F)CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940533 813906770 /nfs/dbraw/zinc/90/67/70/813906770.db2.gz DEDKLUATOIFXMH-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@]1(F)CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940533 813906776 /nfs/dbraw/zinc/90/67/76/813906776.db2.gz DEDKLUATOIFXMH-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@]1(F)CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940533 813906787 /nfs/dbraw/zinc/90/67/87/813906787.db2.gz DEDKLUATOIFXMH-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP FC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949313 813907505 /nfs/dbraw/zinc/90/75/05/813907505.db2.gz KUDLQYQSVWOSFR-MSOLQXFVSA-N 2 1 290.426 3.190 20 0 CGADMP FC[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949313 813907512 /nfs/dbraw/zinc/90/75/12/813907512.db2.gz KUDLQYQSVWOSFR-MSOLQXFVSA-N 2 1 290.426 3.190 20 0 CGADMP FC[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949313 813907516 /nfs/dbraw/zinc/90/75/16/813907516.db2.gz KUDLQYQSVWOSFR-MSOLQXFVSA-N 2 1 290.426 3.190 20 0 CGADMP CCC[N@@H+](CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941553 813908461 /nfs/dbraw/zinc/90/84/61/813908461.db2.gz BHEQDMFTFXYZBL-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941553 813908465 /nfs/dbraw/zinc/90/84/65/813908465.db2.gz BHEQDMFTFXYZBL-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941553 813908466 /nfs/dbraw/zinc/90/84/66/813908466.db2.gz BHEQDMFTFXYZBL-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209426984 814027974 /nfs/dbraw/zinc/02/79/74/814027974.db2.gz NLVRNFVDLRZZKI-BTHPGYMESA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209426984 814027978 /nfs/dbraw/zinc/02/79/78/814027978.db2.gz NLVRNFVDLRZZKI-BTHPGYMESA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209426984 814027981 /nfs/dbraw/zinc/02/79/81/814027981.db2.gz NLVRNFVDLRZZKI-BTHPGYMESA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cn1 ZINC001209452140 814047340 /nfs/dbraw/zinc/04/73/40/814047340.db2.gz FFTKJGLXHAYYJM-SFHVURJKSA-N 2 1 287.451 3.403 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cn1 ZINC001209452140 814047347 /nfs/dbraw/zinc/04/73/47/814047347.db2.gz FFTKJGLXHAYYJM-SFHVURJKSA-N 2 1 287.451 3.403 20 0 CGADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001209732131 814124232 /nfs/dbraw/zinc/12/42/32/814124232.db2.gz XGQQZTLLBYLWMO-ZDUSSCGKSA-N 2 1 287.794 3.137 20 0 CGADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001209732131 814124237 /nfs/dbraw/zinc/12/42/37/814124237.db2.gz XGQQZTLLBYLWMO-ZDUSSCGKSA-N 2 1 287.794 3.137 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001209844513 814161804 /nfs/dbraw/zinc/16/18/04/814161804.db2.gz DCWQAQNMMREUJJ-HNNXBMFYSA-N 2 1 297.446 3.367 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[NH2+]1 ZINC001210475757 814479019 /nfs/dbraw/zinc/47/90/19/814479019.db2.gz OAURHBKNHBPUNR-QGZVFWFLSA-N 2 1 290.451 3.057 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[NH2+]1 ZINC001210519762 814505332 /nfs/dbraw/zinc/50/53/32/814505332.db2.gz SCDNVXRBGLSMJH-HNNXBMFYSA-N 2 1 296.414 3.243 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC[NH2+]1 ZINC001210519762 814505340 /nfs/dbraw/zinc/50/53/40/814505340.db2.gz SCDNVXRBGLSMJH-HNNXBMFYSA-N 2 1 296.414 3.243 20 0 CGADMP COc1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)[nH+]cc1C ZINC001210708457 814592576 /nfs/dbraw/zinc/59/25/76/814592576.db2.gz MGXZFQBIFZKBGS-OAHLLOKOSA-N 2 1 287.407 3.343 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](OCCCCC2CC[NH2+]CC2)C1 ZINC001217889200 815990263 /nfs/dbraw/zinc/99/02/63/815990263.db2.gz DSEQIFXZYIRZBN-KRWDZBQOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](OCCCCC2CC[NH2+]CC2)C1 ZINC001217889201 815990789 /nfs/dbraw/zinc/99/07/89/815990789.db2.gz DSEQIFXZYIRZBN-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222153896 816362104 /nfs/dbraw/zinc/36/21/04/816362104.db2.gz CFYPEFNSWJHZKH-QGZVFWFLSA-N 2 1 290.476 3.292 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222153896 816362115 /nfs/dbraw/zinc/36/21/15/816362115.db2.gz CFYPEFNSWJHZKH-QGZVFWFLSA-N 2 1 290.476 3.292 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC001222155217 816362461 /nfs/dbraw/zinc/36/24/61/816362461.db2.gz XYMSWRZDNDLLNY-KRWDZBQOSA-N 2 1 286.444 3.477 20 0 CGADMP Cc1cnsc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222168287 816367587 /nfs/dbraw/zinc/36/75/87/816367587.db2.gz ZOGFDYWZDOJQDU-MRXNPFEDSA-N 2 1 293.480 3.197 20 0 CGADMP Cc1cnsc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222168287 816367595 /nfs/dbraw/zinc/36/75/95/816367595.db2.gz ZOGFDYWZDOJQDU-MRXNPFEDSA-N 2 1 293.480 3.197 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)[nH]1 ZINC001222308611 816404025 /nfs/dbraw/zinc/40/40/25/816404025.db2.gz KITLBEUCIFPJAD-SFHVURJKSA-N 2 1 289.467 3.420 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222345248 816414309 /nfs/dbraw/zinc/41/43/09/816414309.db2.gz JXPIYGORNVZBJY-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222345248 816414312 /nfs/dbraw/zinc/41/43/12/816414312.db2.gz JXPIYGORNVZBJY-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379863 816423193 /nfs/dbraw/zinc/42/31/93/816423193.db2.gz LSPTZVLHHUTWOC-OAHLLOKOSA-N 2 1 250.430 3.054 20 0 CGADMP c1cc2cccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c2[nH]1 ZINC001222391140 816429758 /nfs/dbraw/zinc/42/97/58/816429758.db2.gz YCVWBJJIIJFIDP-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c2[nH]1 ZINC001222391140 816429762 /nfs/dbraw/zinc/42/97/62/816429762.db2.gz YCVWBJJIIJFIDP-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222400962 816433525 /nfs/dbraw/zinc/43/35/25/816433525.db2.gz PERWHVHCLLTRFX-UHFFFAOYSA-N 2 1 294.483 3.049 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001222420482 816439723 /nfs/dbraw/zinc/43/97/23/816439723.db2.gz DDLCMOMAKDYRHE-GVDBMIGSSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222426657 816442742 /nfs/dbraw/zinc/44/27/42/816442742.db2.gz HKTQYMGSHIILOT-QGZVFWFLSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222426657 816442749 /nfs/dbraw/zinc/44/27/49/816442749.db2.gz HKTQYMGSHIILOT-QGZVFWFLSA-N 2 1 258.409 3.021 20 0 CGADMP Fc1cc(F)c(F)c(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001222453344 816449013 /nfs/dbraw/zinc/44/90/13/816449013.db2.gz XUZBWNQJMUKOKY-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP CC(C)(C)CC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596282 816474777 /nfs/dbraw/zinc/47/47/77/816474777.db2.gz TZNFTTVPMYCBRX-MRXNPFEDSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1F ZINC001222629197 816483720 /nfs/dbraw/zinc/48/37/20/816483720.db2.gz DRJBRCISGQKSJV-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP CCc1ccc(C[N@@H+](CC)CCn2ccnc2)s1 ZINC001231503188 818115305 /nfs/dbraw/zinc/11/53/05/818115305.db2.gz SCLHVUAUJPEGPK-UHFFFAOYSA-N 2 1 263.410 3.029 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(OC(C)(C)C)cc1 ZINC001231804226 818179714 /nfs/dbraw/zinc/17/97/14/818179714.db2.gz ZENZMMVKAWYMBG-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OC(C)(C)C)cc1 ZINC001231804226 818179718 /nfs/dbraw/zinc/17/97/18/818179718.db2.gz ZENZMMVKAWYMBG-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)o2)CC1 ZINC001233316015 818575251 /nfs/dbraw/zinc/57/52/51/818575251.db2.gz IHZBOEKDPGCYJT-UHFFFAOYSA-N 2 1 284.831 3.485 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2cccnc2s1 ZINC001233349110 818592538 /nfs/dbraw/zinc/59/25/38/818592538.db2.gz DUYRKQVUVBIULM-UHFFFAOYSA-N 2 1 277.437 3.070 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2cccnc2s1 ZINC001233349110 818592544 /nfs/dbraw/zinc/59/25/44/818592544.db2.gz DUYRKQVUVBIULM-UHFFFAOYSA-N 2 1 277.437 3.070 20 0 CGADMP COc1cc(C[N@@H+](C)CC(C)(C)C)ccc1-n1ccnc1 ZINC001234065849 818771265 /nfs/dbraw/zinc/77/12/65/818771265.db2.gz DZIKIOZMWDIIES-UHFFFAOYSA-N 2 1 287.407 3.359 20 0 CGADMP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1-c1ccccc1 ZINC001234983352 818970267 /nfs/dbraw/zinc/97/02/67/818970267.db2.gz YSBVWDPPMUCIFO-CALCHBBNSA-N 2 1 296.389 3.144 20 0 CGADMP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1-c1ccccc1 ZINC001234983352 818970269 /nfs/dbraw/zinc/97/02/69/818970269.db2.gz YSBVWDPPMUCIFO-CALCHBBNSA-N 2 1 296.389 3.144 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235006780 818976897 /nfs/dbraw/zinc/97/68/97/818976897.db2.gz KEQXMXFWFJTQML-GOSISDBHSA-N 2 1 294.483 3.049 20 0 CGADMP c1ccc(C2(C[N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)CCCC2)cc1 ZINC001235016008 818978699 /nfs/dbraw/zinc/97/86/99/818978699.db2.gz AZRSNBNWYDNGKU-FUHWJXTLSA-N 2 1 284.447 3.182 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)CCCC2)cc1 ZINC001235016008 818978704 /nfs/dbraw/zinc/97/87/04/818978704.db2.gz AZRSNBNWYDNGKU-FUHWJXTLSA-N 2 1 284.447 3.182 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)c1)CCC2 ZINC001235039562 818986861 /nfs/dbraw/zinc/98/68/61/818986861.db2.gz VLSNFTGRRVPWDY-LJQANCHMSA-N 2 1 284.447 3.283 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2s1 ZINC001235091470 818998777 /nfs/dbraw/zinc/99/87/77/818998777.db2.gz COZSJYYRZMTALZ-UHFFFAOYSA-N 2 1 286.444 3.477 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092941 818998818 /nfs/dbraw/zinc/99/88/18/818998818.db2.gz MVRSMYMOGIHQQV-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP c1ccc(CCCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001235094365 818999622 /nfs/dbraw/zinc/99/96/22/818999622.db2.gz YOGDORVARDHPQF-UHFFFAOYSA-N 2 1 286.463 3.475 20 0 CGADMP Fc1ccc(F)c(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1F ZINC001235136458 819014670 /nfs/dbraw/zinc/01/46/70/819014670.db2.gz YQEWZGXYZQUVHX-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235145873 819015028 /nfs/dbraw/zinc/01/50/28/819015028.db2.gz XCHRXOYMGXPUOX-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235145843 819015588 /nfs/dbraw/zinc/01/55/88/819015588.db2.gz WGVDTJBOTPGRQT-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1O ZINC001235162859 819020047 /nfs/dbraw/zinc/02/00/47/819020047.db2.gz XFOCCAVHCAELGB-KRWDZBQOSA-N 2 1 288.435 3.055 20 0 CGADMP Cn1ccc2cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)ccc21 ZINC001235167144 819020665 /nfs/dbraw/zinc/02/06/65/819020665.db2.gz GKMANFUJHRGLFI-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)ccc21 ZINC001235167144 819020670 /nfs/dbraw/zinc/02/06/70/819020670.db2.gz GKMANFUJHRGLFI-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235168782 819021462 /nfs/dbraw/zinc/02/14/62/819021462.db2.gz UOXZKFBOCKGPBD-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235168782 819021463 /nfs/dbraw/zinc/02/14/63/819021463.db2.gz UOXZKFBOCKGPBD-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)[nH]1 ZINC001235172118 819022520 /nfs/dbraw/zinc/02/25/20/819022520.db2.gz KHHOGTHUBPGGEM-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)[nH]1 ZINC001235172118 819022525 /nfs/dbraw/zinc/02/25/25/819022525.db2.gz KHHOGTHUBPGGEM-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235185735 819027898 /nfs/dbraw/zinc/02/78/98/819027898.db2.gz WZJHFOKFFNWRTR-MSOLQXFVSA-N 2 1 272.436 3.071 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235187218 819028133 /nfs/dbraw/zinc/02/81/33/819028133.db2.gz TZMKTYJLACZTFE-ZACQAIPSSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189248 819029874 /nfs/dbraw/zinc/02/98/74/819029874.db2.gz FGJKJOXUJUSVTJ-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCCCC34CC[NH2+]CC4)ccc21 ZINC001235189929 819030287 /nfs/dbraw/zinc/03/02/87/819030287.db2.gz QGXIAMYEWMDHMO-UHFFFAOYSA-N 2 1 297.446 3.286 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCCCC13CC[NH2+]CC3)NCCC2 ZINC001235190751 819030665 /nfs/dbraw/zinc/03/06/65/819030665.db2.gz KEGPKEKFIWJVAC-UHFFFAOYSA-N 2 1 299.462 3.153 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC001235193589 819033002 /nfs/dbraw/zinc/03/30/02/819033002.db2.gz QCIRTQGXVUITSX-IAGOWNOFSA-N 2 1 298.455 3.456 20 0 CGADMP C[C@@H](CC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)CC(C)(C)C ZINC001235210276 819037944 /nfs/dbraw/zinc/03/79/44/819037944.db2.gz VJOBDXVTABPJIL-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)CC(C)(C)C ZINC001235210276 819037949 /nfs/dbraw/zinc/03/79/49/819037949.db2.gz VJOBDXVTABPJIL-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP c1c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001235224508 819040237 /nfs/dbraw/zinc/04/02/37/819040237.db2.gz NDIMXFFXQBLVFA-OCCSQVGLSA-N 2 1 276.449 3.016 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CCCC2)cc1 ZINC001235256289 819051088 /nfs/dbraw/zinc/05/10/88/819051088.db2.gz RJSLHWFGDFOIOR-SJLPKXTDSA-N 2 1 284.447 3.182 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254035 819051620 /nfs/dbraw/zinc/05/16/20/819051620.db2.gz APNQCZIKKZUHDO-APWZRJJASA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254035 819051624 /nfs/dbraw/zinc/05/16/24/819051624.db2.gz APNQCZIKKZUHDO-APWZRJJASA-N 2 1 296.389 3.286 20 0 CGADMP Clc1ccc(CCC[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001235262381 819055001 /nfs/dbraw/zinc/05/50/01/819055001.db2.gz QTTQTHMNHVJYCC-SWLSCSKDSA-N 2 1 299.245 3.220 20 0 CGADMP Clc1ccc(CCC[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001235262381 819055005 /nfs/dbraw/zinc/05/50/05/819055005.db2.gz QTTQTHMNHVJYCC-SWLSCSKDSA-N 2 1 299.245 3.220 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235272861 819060095 /nfs/dbraw/zinc/06/00/95/819060095.db2.gz RCLDISNREYIPNZ-QZTJIDSGSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339188 819071223 /nfs/dbraw/zinc/07/12/23/819071223.db2.gz DYBWASURJYLEPC-CYBMUJFWSA-N 2 1 286.444 3.251 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235341222 819072580 /nfs/dbraw/zinc/07/25/80/819072580.db2.gz PLBPXYUICHFOAG-YMVOSSCXSA-N 2 1 288.479 3.134 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)c2)cc1 ZINC001235340570 819072622 /nfs/dbraw/zinc/07/26/22/819072622.db2.gz KQHLWKIKHPEVDG-IBGZPJMESA-N 2 1 292.426 3.395 20 0 CGADMP C[C@H](CC[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)CC(C)(C)C ZINC001235399213 819084685 /nfs/dbraw/zinc/08/46/85/819084685.db2.gz ZMVQOJCEGAESAY-KFWWJZLASA-N 2 1 284.463 3.458 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399276 819084955 /nfs/dbraw/zinc/08/49/55/819084955.db2.gz AELFDZKKIBFWDY-JYJNAYRXSA-N 2 1 270.436 3.226 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406477 819087123 /nfs/dbraw/zinc/08/71/23/819087123.db2.gz PUWIRBAGKNJQDL-RTBURBONSA-N 2 1 298.405 3.315 20 0 CGADMP C1=CC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001235422296 819093076 /nfs/dbraw/zinc/09/30/76/819093076.db2.gz BEVDNONKNSTQOP-GVDBMIGSSA-N 2 1 262.441 3.054 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235428966 819094549 /nfs/dbraw/zinc/09/45/49/819094549.db2.gz VZYAVEIHLCGMCR-HOTGVXAUSA-N 2 1 290.426 3.346 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433361 819096388 /nfs/dbraw/zinc/09/63/88/819096388.db2.gz UWWAHCIYRSXTOH-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP C[N@@H+](CCCc1cccc(Cl)c1)CC1CC[NH2+]CC1 ZINC001235433582 819096764 /nfs/dbraw/zinc/09/67/64/819096764.db2.gz CTISJMRRHZORSG-UHFFFAOYSA-N 2 1 280.843 3.204 20 0 CGADMP C[C@H](C[N@@H+](C)CCC[NH3+])c1cccc2ccccc21 ZINC001235435244 819097278 /nfs/dbraw/zinc/09/72/78/819097278.db2.gz DVIDRMMYASCOPQ-CQSZACIVSA-N 2 1 256.393 3.224 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001235446594 819101302 /nfs/dbraw/zinc/10/13/02/819101302.db2.gz YVGRHDXJDUGODD-DOTOQJQBSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001235446594 819101306 /nfs/dbraw/zinc/10/13/06/819101306.db2.gz YVGRHDXJDUGODD-DOTOQJQBSA-N 2 1 258.409 3.274 20 0 CGADMP CCCC[N@@H+](CCC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235661907 819131709 /nfs/dbraw/zinc/13/17/09/819131709.db2.gz AALWLWVYKNGCFE-UHFFFAOYSA-N 2 1 260.425 3.344 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235664458 819132020 /nfs/dbraw/zinc/13/20/20/819132020.db2.gz UIQSGICORYLVGN-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP CCC[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccccc1 ZINC001235663170 819132094 /nfs/dbraw/zinc/13/20/94/819132094.db2.gz RTPNBOIJIXDUSA-UHFFFAOYSA-N 2 1 283.419 3.004 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@H](C[NH3+])C2)C1(C)C ZINC001235673579 819133200 /nfs/dbraw/zinc/13/32/00/819133200.db2.gz OVNGKRSZORJFKC-GJZGRUSLSA-N 2 1 250.430 3.040 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)CCCc1ccccc1 ZINC001235669838 819133715 /nfs/dbraw/zinc/13/37/15/819133715.db2.gz KXJAEPUIGBTFFE-GDBMZVCRSA-N 2 1 296.405 3.042 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)CCCc1ccccc1 ZINC001235669838 819133718 /nfs/dbraw/zinc/13/37/18/819133718.db2.gz KXJAEPUIGBTFFE-GDBMZVCRSA-N 2 1 296.405 3.042 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001235678467 819138409 /nfs/dbraw/zinc/13/84/09/819138409.db2.gz LSFVWIBMZVMINF-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001235678551 819138653 /nfs/dbraw/zinc/13/86/53/819138653.db2.gz MTEBUKAJVLVFGB-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)cc1 ZINC001235678059 819138856 /nfs/dbraw/zinc/13/88/56/819138856.db2.gz KRVJGNUFKKWUIE-LJQANCHMSA-N 2 1 295.430 3.237 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001235680325 819139433 /nfs/dbraw/zinc/13/94/33/819139433.db2.gz VYTNNRUSUMUKLA-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001235681296 819140286 /nfs/dbraw/zinc/14/02/86/819140286.db2.gz XQPHPTVOPFLZJO-INIZCTEOSA-N 2 1 294.389 3.444 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+](C)CCC2CC[NH2+]CC2)o1 ZINC001235715215 819149847 /nfs/dbraw/zinc/14/98/47/819149847.db2.gz SLSHKKJREOOCMP-CQSZACIVSA-N 2 1 278.440 3.403 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)c2ccoc21 ZINC001235718088 819151645 /nfs/dbraw/zinc/15/16/45/819151645.db2.gz UIWNFLJTCWOOKE-UHFFFAOYSA-N 2 1 290.382 3.393 20 0 CGADMP CCc1cc(C[N@H+](CC)C2CC[NH2+]CC2)cc(CC)c1O ZINC001235762452 819163401 /nfs/dbraw/zinc/16/34/01/819163401.db2.gz UOHMURHWPGCNIS-UHFFFAOYSA-N 2 1 290.451 3.091 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@H](C)C1 ZINC001235819795 819174527 /nfs/dbraw/zinc/17/45/27/819174527.db2.gz IMHSMARPDUEJPM-HUUCEWRRSA-N 2 1 297.446 3.365 20 0 CGADMP c1ccc2c(c1)CCC[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235833011 819179559 /nfs/dbraw/zinc/17/95/59/819179559.db2.gz AHESNPVXVGQVJG-UHFFFAOYSA-N 2 1 284.447 3.215 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc(C)c1OC(C)C ZINC001235840353 819181975 /nfs/dbraw/zinc/18/19/75/819181975.db2.gz LPQFTAHSHAKQLC-MRXNPFEDSA-N 2 1 290.451 3.132 20 0 CGADMP Cc1ccc(CC[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235841080 819182127 /nfs/dbraw/zinc/18/21/27/819182127.db2.gz VKBWVZDJKLURFD-UHFFFAOYSA-N 2 1 294.442 3.315 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235840345 819182453 /nfs/dbraw/zinc/18/24/53/819182453.db2.gz LDYBZTVOGCIEPQ-MRXNPFEDSA-N 2 1 290.451 3.132 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001235864470 819190377 /nfs/dbraw/zinc/19/03/77/819190377.db2.gz HQWDAYGOHIDWKM-MRXNPFEDSA-N 2 1 296.455 3.435 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001235925281 819224910 /nfs/dbraw/zinc/22/49/10/819224910.db2.gz PJHUWGYBSMLQFQ-AWEZNQCLSA-N 2 1 272.367 3.292 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235935282 819231312 /nfs/dbraw/zinc/23/13/12/819231312.db2.gz DGNILZJHOFKNMX-GXTWGEPZSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235935282 819231318 /nfs/dbraw/zinc/23/13/18/819231318.db2.gz DGNILZJHOFKNMX-GXTWGEPZSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939854 819233987 /nfs/dbraw/zinc/23/39/87/819233987.db2.gz QNDNELICCLFTQX-KGLIPLIRSA-N 2 1 298.352 3.055 20 0 CGADMP c1c(C[N@H+]2CC[C@H]2c2ccccc2)sc2c1CC[NH2+]C2 ZINC001235949683 819239044 /nfs/dbraw/zinc/23/90/44/819239044.db2.gz QYMSNQHMHDIYTB-INIZCTEOSA-N 2 1 284.428 3.341 20 0 CGADMP CC[C@@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235949925 819240261 /nfs/dbraw/zinc/24/02/61/819240261.db2.gz XOKAGNGTPDLLFN-OAHLLOKOSA-N 2 1 297.446 3.367 20 0 CGADMP C[N@H+](Cc1cccc2sccc21)C[C@H]1CCC[NH2+]C1 ZINC001235956959 819243903 /nfs/dbraw/zinc/24/39/03/819243903.db2.gz IVGNPYUVWLLUFR-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])Cc1ccccc1F ZINC001235960775 819249210 /nfs/dbraw/zinc/24/92/10/819249210.db2.gz NUTCPRYRIMXNQO-UHFFFAOYSA-N 2 1 252.377 3.167 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)CC1(F)CC[NH2+]CC1 ZINC001235963608 819252581 /nfs/dbraw/zinc/25/25/81/819252581.db2.gz WESYRRBUFOTKTG-UHFFFAOYSA-N 2 1 284.806 3.254 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1)c1cccc2ccccc21 ZINC001235977694 819257130 /nfs/dbraw/zinc/25/71/30/819257130.db2.gz HNUHXGOBDKPZEB-SIXWZSSISA-N 2 1 280.415 3.366 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235977620 819257300 /nfs/dbraw/zinc/25/73/00/819257300.db2.gz GZJVVBSAYPFWIE-LRDDRELGSA-N 2 1 272.417 3.133 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235977620 819257305 /nfs/dbraw/zinc/25/73/05/819257305.db2.gz GZJVVBSAYPFWIE-LRDDRELGSA-N 2 1 272.417 3.133 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236044832 819282713 /nfs/dbraw/zinc/28/27/13/819282713.db2.gz AMLITGNTVQYKBY-BBRMVZONSA-N 2 1 268.404 3.317 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059332 819292206 /nfs/dbraw/zinc/29/22/06/819292206.db2.gz FFCVJIJONUXVRH-ULQDDVLXSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059332 819292213 /nfs/dbraw/zinc/29/22/13/819292213.db2.gz FFCVJIJONUXVRH-ULQDDVLXSA-N 2 1 264.457 3.443 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236066791 819298095 /nfs/dbraw/zinc/29/80/95/819298095.db2.gz JVSHLLOHTIHIKV-MRXNPFEDSA-N 2 1 292.426 3.299 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1SC ZINC001236108096 819324588 /nfs/dbraw/zinc/32/45/88/819324588.db2.gz IQPQWGGULPYHBK-OCCSQVGLSA-N 2 1 264.438 3.283 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1SC ZINC001236108096 819324591 /nfs/dbraw/zinc/32/45/91/819324591.db2.gz IQPQWGGULPYHBK-OCCSQVGLSA-N 2 1 264.438 3.283 20 0 CGADMP CCC[N@@H+](Cc1cc(C)ccc1OCC)C1CC[NH2+]CC1 ZINC001236183182 819359141 /nfs/dbraw/zinc/35/91/41/819359141.db2.gz WXZFYTCFGAEBTA-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP CCC[N@@H+](CCC[NH2+]C1CCCCC1)C1CCOCC1 ZINC001236181873 819360963 /nfs/dbraw/zinc/36/09/63/819360963.db2.gz KQNCEEVHQHNNKD-UHFFFAOYSA-N 2 1 282.472 3.190 20 0 CGADMP Fc1cccc(F)c1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236190834 819363135 /nfs/dbraw/zinc/36/31/35/819363135.db2.gz YRUNKWXHYGXNSR-CZUORRHYSA-N 2 1 294.389 3.491 20 0 CGADMP Cc1cccc2c(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c[nH]c21 ZINC001236210570 819371780 /nfs/dbraw/zinc/37/17/80/819371780.db2.gz DKVJJRXFSCVGDW-JKSUJKDBSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cccc2c(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c[nH]c21 ZINC001236210570 819371784 /nfs/dbraw/zinc/37/17/84/819371784.db2.gz DKVJJRXFSCVGDW-JKSUJKDBSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])sc1C ZINC001236212979 819374569 /nfs/dbraw/zinc/37/45/69/819374569.db2.gz AOYUEJTUOCACGN-KBPBESRZSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])sc1C ZINC001236212979 819374575 /nfs/dbraw/zinc/37/45/75/819374575.db2.gz AOYUEJTUOCACGN-KBPBESRZSA-N 2 1 252.427 3.067 20 0 CGADMP C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213212 819376275 /nfs/dbraw/zinc/37/62/75/819376275.db2.gz AMKRQCKUOCFITC-MSOLQXFVSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213212 819376282 /nfs/dbraw/zinc/37/62/82/819376282.db2.gz AMKRQCKUOCFITC-MSOLQXFVSA-N 2 1 283.419 3.179 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)ccc(C)c2OC)CC1 ZINC001236216111 819379806 /nfs/dbraw/zinc/37/98/06/819379806.db2.gz JDRBWMBFNGYNKF-UHFFFAOYSA-N 2 1 294.414 3.105 20 0 CGADMP C[N@H+](Cc1ccc(F)c(C2CC2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217067 819381931 /nfs/dbraw/zinc/38/19/31/819381931.db2.gz NIWYXBQCLJFAIH-IRXDYDNUSA-N 2 1 276.399 3.405 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(C2CC2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217067 819381936 /nfs/dbraw/zinc/38/19/36/819381936.db2.gz NIWYXBQCLJFAIH-IRXDYDNUSA-N 2 1 276.399 3.405 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC001236216866 819382411 /nfs/dbraw/zinc/38/24/11/819382411.db2.gz LMCLKAYXMGXOJL-SJORKVTESA-N 2 1 276.424 3.014 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC001236216866 819382418 /nfs/dbraw/zinc/38/24/18/819382418.db2.gz LMCLKAYXMGXOJL-SJORKVTESA-N 2 1 276.424 3.014 20 0 CGADMP C[N@H+](Cc1cccc2c1CCCC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218793 819383381 /nfs/dbraw/zinc/38/33/81/819383381.db2.gz UCKVUILERKUHPO-ROUUACIJSA-N 2 1 272.436 3.267 20 0 CGADMP C[N@@H+](Cc1cccc2c1CCCC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218793 819383390 /nfs/dbraw/zinc/38/33/90/819383390.db2.gz UCKVUILERKUHPO-ROUUACIJSA-N 2 1 272.436 3.267 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1CC ZINC001236219171 819385322 /nfs/dbraw/zinc/38/53/22/819385322.db2.gz VJKNEKCHUYAATN-DLBZAZTESA-N 2 1 290.451 3.349 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1CC ZINC001236219171 819385327 /nfs/dbraw/zinc/38/53/27/819385327.db2.gz VJKNEKCHUYAATN-DLBZAZTESA-N 2 1 290.451 3.349 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001236242589 819401587 /nfs/dbraw/zinc/40/15/87/819401587.db2.gz YYYFXMURTPLAEW-UHFFFAOYSA-N 2 1 284.428 3.253 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236245306 819402883 /nfs/dbraw/zinc/40/28/83/819402883.db2.gz SJIFBFRPPBRGSC-HOCLYGCPSA-N 2 1 296.405 3.308 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236245306 819402887 /nfs/dbraw/zinc/40/28/87/819402887.db2.gz SJIFBFRPPBRGSC-HOCLYGCPSA-N 2 1 296.405 3.308 20 0 CGADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001236243174 819403222 /nfs/dbraw/zinc/40/32/22/819403222.db2.gz DDHGZZCVYYXQKV-KRWDZBQOSA-N 2 1 260.425 3.440 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236264867 819410161 /nfs/dbraw/zinc/41/01/61/819410161.db2.gz DNXVMMNZZKVPMN-UHFFFAOYSA-N 2 1 298.405 3.146 20 0 CGADMP CCCCC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236268780 819411793 /nfs/dbraw/zinc/41/17/93/819411793.db2.gz GNYQJXCVRRKHSI-QGZVFWFLSA-N 2 1 260.425 3.431 20 0 CGADMP CCCCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236268780 819411798 /nfs/dbraw/zinc/41/17/98/819411798.db2.gz GNYQJXCVRRKHSI-QGZVFWFLSA-N 2 1 260.425 3.431 20 0 CGADMP CS[C@@H](C)CC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287159 819414063 /nfs/dbraw/zinc/41/40/63/819414063.db2.gz POYGJMVPJDILAN-HNNXBMFYSA-N 2 1 292.492 3.382 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314475 819421254 /nfs/dbraw/zinc/42/12/54/819421254.db2.gz OAEXYTLYKJFTPF-HDICACEKSA-N 2 1 272.436 3.241 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001236321204 819424599 /nfs/dbraw/zinc/42/45/99/819424599.db2.gz YJKRLPMGZNOFKA-GASCZTMLSA-N 2 1 278.827 3.080 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320939 819424768 /nfs/dbraw/zinc/42/47/68/819424768.db2.gz MKTJYBQASBSWFV-GASCZTMLSA-N 2 1 292.854 3.388 20 0 CGADMP CC[N@H+](Cc1ccc(C)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236407089 819454586 /nfs/dbraw/zinc/45/45/86/819454586.db2.gz BPILPQHLRGCDOU-AWEZNQCLSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236407917 819455601 /nfs/dbraw/zinc/45/56/01/819455601.db2.gz INPNHENNMRGUTP-HNNXBMFYSA-N 2 1 268.404 3.271 20 0 CGADMP CC[N@@H+](CC[C@H](C)CC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC001236408972 819455809 /nfs/dbraw/zinc/45/58/09/819455809.db2.gz VGCKCPUVJWXYFZ-GJZGRUSLSA-N 2 1 254.462 3.380 20 0 CGADMP CC[N@@H+](CCCc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236408302 819455901 /nfs/dbraw/zinc/45/59/01/819455901.db2.gz NASZKJDPKBGCDB-AWEZNQCLSA-N 2 1 280.843 3.204 20 0 CGADMP CC[N@H+](Cc1cc(C)c(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236408869 819456233 /nfs/dbraw/zinc/45/62/33/819456233.db2.gz PRRQRXXHAXDFDX-MRXNPFEDSA-N 2 1 260.425 3.043 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H](C)CCC=C(C)C ZINC001236422014 819469370 /nfs/dbraw/zinc/46/93/70/819469370.db2.gz XQMAPSCYFJSBKS-HZPDHXFCSA-N 2 1 252.446 3.443 20 0 CGADMP Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236469277 819490075 /nfs/dbraw/zinc/49/00/75/819490075.db2.gz RAISBNOVMUTTAT-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236469277 819490079 /nfs/dbraw/zinc/49/00/79/819490079.db2.gz RAISBNOVMUTTAT-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1C ZINC001236469695 819491185 /nfs/dbraw/zinc/49/11/85/819491185.db2.gz VNFGKVDRDNJERG-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1C ZINC001236469695 819491187 /nfs/dbraw/zinc/49/11/87/819491187.db2.gz VNFGKVDRDNJERG-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](CCC1CC1)C1CC[NH2+]CC1 ZINC001236509210 819507813 /nfs/dbraw/zinc/50/78/13/819507813.db2.gz KKFPLTOLDLHFFO-UHFFFAOYSA-N 2 1 290.426 3.488 20 0 CGADMP CNc1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236576297 819541779 /nfs/dbraw/zinc/54/17/79/819541779.db2.gz HUMRAFSWMODZLZ-RZDIXWSQSA-N 2 1 287.451 3.353 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)cc2c1 ZINC001236598596 819548417 /nfs/dbraw/zinc/54/84/17/819548417.db2.gz LFPUHOMXHZMESA-OAHLLOKOSA-N 2 1 297.446 3.440 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)cc2c1 ZINC001236598596 819548423 /nfs/dbraw/zinc/54/84/23/819548423.db2.gz LFPUHOMXHZMESA-OAHLLOKOSA-N 2 1 297.446 3.440 20 0 CGADMP C(C1CCCCC1)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634704 819556260 /nfs/dbraw/zinc/55/62/60/819556260.db2.gz VSAIXAIKXPVFGO-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236726609 819583672 /nfs/dbraw/zinc/58/36/72/819583672.db2.gz KYMQPKUPENCJKZ-QAQDUYKDSA-N 2 1 260.425 3.477 20 0 CGADMP CCC(CC)[N@@H+](CC(C)(C)C[NH+](C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782243 819593969 /nfs/dbraw/zinc/59/39/69/819593969.db2.gz GQDMFKWDGBTBRW-JCNLHEQBSA-N 3 1 297.531 3.335 20 0 CGADMP CCC(CC)[N@H+](CC(C)(C)CN(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782243 819593973 /nfs/dbraw/zinc/59/39/73/819593973.db2.gz GQDMFKWDGBTBRW-JCNLHEQBSA-N 2 1 297.531 3.335 20 0 CGADMP CCC(CC)[N@@H+](CC(C)(C)CN(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782243 819593977 /nfs/dbraw/zinc/59/39/77/819593977.db2.gz GQDMFKWDGBTBRW-JCNLHEQBSA-N 2 1 297.531 3.335 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c(F)cccc34)C[C@H]12 ZINC001236825820 819607978 /nfs/dbraw/zinc/60/79/78/819607978.db2.gz ARMSTPSDBWZDCQ-QANKJYHBSA-N 2 1 284.378 3.148 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC001236826639 819610030 /nfs/dbraw/zinc/61/00/30/819610030.db2.gz CRXQEHMWSZQSPU-INIZCTEOSA-N 2 1 272.436 3.040 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1C(F)(F)F ZINC001236827247 819610301 /nfs/dbraw/zinc/61/03/01/819610301.db2.gz DODWMLWCZGRFJS-YDHLFZDLSA-N 2 1 298.352 3.183 20 0 CGADMP CCC[N@@H+](CCCc1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236829507 819610426 /nfs/dbraw/zinc/61/04/26/819610426.db2.gz KVYFRMMIKRGQGU-OAHLLOKOSA-N 2 1 278.415 3.080 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC001236832348 819612347 /nfs/dbraw/zinc/61/23/47/819612347.db2.gz VARKZTODKIHDGU-AEGPPILISA-N 2 1 278.827 3.126 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236833857 819613399 /nfs/dbraw/zinc/61/33/99/819613399.db2.gz CTPPFBCNJZCNFL-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236833857 819613404 /nfs/dbraw/zinc/61/34/04/819613404.db2.gz CTPPFBCNJZCNFL-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+]C1 ZINC001236833918 819613836 /nfs/dbraw/zinc/61/38/36/819613836.db2.gz DIMZUELARALOPN-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+](Cc1cc(C)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236834827 819614794 /nfs/dbraw/zinc/61/47/94/819614794.db2.gz IOMKHFBVHXEQHU-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP CCCOc1ccc(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236836271 819615406 /nfs/dbraw/zinc/61/54/06/819615406.db2.gz UMELIQMNSSBLNG-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP CCC[N@@H+](Cc1csc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236836827 819617343 /nfs/dbraw/zinc/61/73/43/819617343.db2.gz YIGJZYOYIKTGTB-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+](Cc1csc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236836827 819617345 /nfs/dbraw/zinc/61/73/45/819617345.db2.gz YIGJZYOYIKTGTB-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+](Cc1cc(F)cc(OCC)c1)C[C@H]1CC[NH2+]C1 ZINC001236843161 819618137 /nfs/dbraw/zinc/61/81/37/819618137.db2.gz LHFQGPIXVFSXHL-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@H+](Cc1c(C)cc(F)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236841940 819618703 /nfs/dbraw/zinc/61/87/03/819618703.db2.gz BBGOJBXDIPUOFG-OAHLLOKOSA-N 2 1 278.415 3.264 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844164 819620488 /nfs/dbraw/zinc/62/04/88/819620488.db2.gz ULWRVDHVNKFDQH-OAHLLOKOSA-N 2 1 280.843 3.470 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c4ccoc43)C2)C1 ZINC001236900947 819634336 /nfs/dbraw/zinc/63/43/36/819634336.db2.gz GBRXCUBFZOZKMN-QGZVFWFLSA-N 2 1 288.366 3.100 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c4ccoc43)C2)C1 ZINC001236900947 819634340 /nfs/dbraw/zinc/63/43/40/819634340.db2.gz GBRXCUBFZOZKMN-QGZVFWFLSA-N 2 1 288.366 3.100 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)c4ccoc43)C2)C1 ZINC001236900947 819634344 /nfs/dbraw/zinc/63/43/44/819634344.db2.gz GBRXCUBFZOZKMN-QGZVFWFLSA-N 2 1 288.366 3.100 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c4ccoc43)C2)C1 ZINC001236900947 819634349 /nfs/dbraw/zinc/63/43/49/819634349.db2.gz GBRXCUBFZOZKMN-QGZVFWFLSA-N 2 1 288.366 3.100 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001237059865 819657255 /nfs/dbraw/zinc/65/72/55/819657255.db2.gz WRIHHXMJJROPIT-GOSISDBHSA-N 2 1 268.404 3.401 20 0 CGADMP Cc1cccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237144022 819677247 /nfs/dbraw/zinc/67/72/47/819677247.db2.gz ITKIWJFTXLTXCK-KRWDZBQOSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1cccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237144022 819677249 /nfs/dbraw/zinc/67/72/49/819677249.db2.gz ITKIWJFTXLTXCK-KRWDZBQOSA-N 2 1 258.409 3.102 20 0 CGADMP c1cc2c(cc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1)NCCC2 ZINC001237159511 819684587 /nfs/dbraw/zinc/68/45/87/819684587.db2.gz BWJBXSGAWOCYOC-SFHVURJKSA-N 2 1 299.462 3.151 20 0 CGADMP c1cc2c(cc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1)NCCC2 ZINC001237159511 819684591 /nfs/dbraw/zinc/68/45/91/819684591.db2.gz BWJBXSGAWOCYOC-SFHVURJKSA-N 2 1 299.462 3.151 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001237193412 819695222 /nfs/dbraw/zinc/69/52/22/819695222.db2.gz OTARUHLNBKLQMY-IEBWSBKVSA-N 2 1 280.415 3.175 20 0 CGADMP CC[C@H](C)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359891 819735263 /nfs/dbraw/zinc/73/52/63/819735263.db2.gz RGUHCZNRKXYHAF-AWEZNQCLSA-N 2 1 258.409 3.127 20 0 CGADMP Clc1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237382696 819737809 /nfs/dbraw/zinc/73/78/09/819737809.db2.gz MRLNUAVKTCDOCC-WBVHZDCISA-N 2 1 292.854 3.347 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384113 819740796 /nfs/dbraw/zinc/74/07/96/819740796.db2.gz UMHFVSNFDNQBNE-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384113 819740801 /nfs/dbraw/zinc/74/08/01/819740801.db2.gz UMHFVSNFDNQBNE-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2o1 ZINC001237389474 819741243 /nfs/dbraw/zinc/74/12/43/819741243.db2.gz GLACWDUFOIDLJP-CVEARBPZSA-N 2 1 270.376 3.007 20 0 CGADMP c1cc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2o1 ZINC001237389474 819741249 /nfs/dbraw/zinc/74/12/49/819741249.db2.gz GLACWDUFOIDLJP-CVEARBPZSA-N 2 1 270.376 3.007 20 0 CGADMP FC(F)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237404590 819745319 /nfs/dbraw/zinc/74/53/19/819745319.db2.gz NXSGHGHKMPKWIX-CABCVRRESA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237404590 819745325 /nfs/dbraw/zinc/74/53/25/819745325.db2.gz NXSGHGHKMPKWIX-CABCVRRESA-N 2 1 280.362 3.198 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460081 819756018 /nfs/dbraw/zinc/75/60/18/819756018.db2.gz HDFXTSKABIYRIK-ROUUACIJSA-N 2 1 272.436 3.194 20 0 CGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc(C)c1Cl ZINC001238090993 819929345 /nfs/dbraw/zinc/92/93/45/819929345.db2.gz UTUIUXIMPZWGJU-CVEARBPZSA-N 2 1 292.854 3.340 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(C)c1Cl ZINC001238090993 819929351 /nfs/dbraw/zinc/92/93/51/819929351.db2.gz UTUIUXIMPZWGJU-CVEARBPZSA-N 2 1 292.854 3.340 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(C)c1Cl ZINC001238090993 819929353 /nfs/dbraw/zinc/92/93/53/819929353.db2.gz UTUIUXIMPZWGJU-CVEARBPZSA-N 2 1 292.854 3.340 20 0 CGADMP C[C@@]1(F)CCC[N@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238102347 819933679 /nfs/dbraw/zinc/93/36/79/819933679.db2.gz BEZWPNVSQUMMGS-OAHLLOKOSA-N 2 1 261.344 3.048 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238102347 819933681 /nfs/dbraw/zinc/93/36/81/819933681.db2.gz BEZWPNVSQUMMGS-OAHLLOKOSA-N 2 1 261.344 3.048 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001238113012 819938478 /nfs/dbraw/zinc/93/84/78/819938478.db2.gz HFTUHVLDEQBYEW-KRWDZBQOSA-N 2 1 291.398 3.399 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001238113012 819938481 /nfs/dbraw/zinc/93/84/81/819938481.db2.gz HFTUHVLDEQBYEW-KRWDZBQOSA-N 2 1 291.398 3.399 20 0 CGADMP Fc1ccc([C@@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238117871 819939169 /nfs/dbraw/zinc/93/91/69/819939169.db2.gz DRLBGOZAGUQKJN-OAHLLOKOSA-N 2 1 295.361 3.463 20 0 CGADMP Fc1ccc([C@@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238117871 819939173 /nfs/dbraw/zinc/93/91/73/819939173.db2.gz DRLBGOZAGUQKJN-OAHLLOKOSA-N 2 1 295.361 3.463 20 0 CGADMP CC[N@H+]1CCCC[C@H]1c1ccc(C2=CCC[NH2+]CC2)nc1 ZINC001238940020 820161605 /nfs/dbraw/zinc/16/16/05/820161605.db2.gz HPWAAESZFQFNEX-SFHVURJKSA-N 2 1 285.435 3.395 20 0 CGADMP C[NH+]1CCC(c2ccc(-c3cc[nH+]c4c3CCN4)cc2)CC1 ZINC001243656010 823475634 /nfs/dbraw/zinc/47/56/34/823475634.db2.gz ABZTYCPVKUUOQK-UHFFFAOYSA-N 2 1 293.414 3.169 20 0 CGADMP Cc1ccc(F)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001240920440 821415916 /nfs/dbraw/zinc/41/59/16/821415916.db2.gz VYIALOPIZNTBQF-UHFFFAOYSA-N 2 1 281.334 3.136 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001242084935 822340774 /nfs/dbraw/zinc/34/07/74/822340774.db2.gz ZQPIMMBCIRSEPU-UHFFFAOYSA-N 2 1 293.414 3.207 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC001351288903 937014143 /nfs/dbraw/zinc/01/41/43/937014143.db2.gz RMKAPVIBBHAEPM-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC001351288903 937014145 /nfs/dbraw/zinc/01/41/45/937014145.db2.gz RMKAPVIBBHAEPM-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC001324849259 928186760 /nfs/dbraw/zinc/18/67/60/928186760.db2.gz XUUFZDMFQFGEKH-YOEHRIQHSA-N 2 1 264.457 3.277 20 0 CGADMP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC1CCCCC1 ZINC001459509986 937490114 /nfs/dbraw/zinc/49/01/14/937490114.db2.gz OSXOPVVHXYIALI-KRWDZBQOSA-N 2 1 294.483 3.144 20 0 CGADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC1CCCCC1 ZINC001459509986 937490116 /nfs/dbraw/zinc/49/01/16/937490116.db2.gz OSXOPVVHXYIALI-KRWDZBQOSA-N 2 1 294.483 3.144 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001460060116 937514374 /nfs/dbraw/zinc/51/43/74/937514374.db2.gz YTHUEMXMADPUTQ-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001460060116 937514375 /nfs/dbraw/zinc/51/43/75/937514375.db2.gz YTHUEMXMADPUTQ-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3CCCCCC3)C[C@]2(C)C1 ZINC001460559527 937534821 /nfs/dbraw/zinc/53/48/21/937534821.db2.gz IQEVGGFUQZHQIZ-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CC3CCCCCC3)C[C@]2(C)C1 ZINC001460559527 937534822 /nfs/dbraw/zinc/53/48/22/937534822.db2.gz IQEVGGFUQZHQIZ-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CC3CCCCCC3)C[C@]2(C)C1 ZINC001460559527 937534824 /nfs/dbraw/zinc/53/48/24/937534824.db2.gz IQEVGGFUQZHQIZ-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CC3CCCCCC3)C[C@]2(C)C1 ZINC001460559527 937534826 /nfs/dbraw/zinc/53/48/26/937534826.db2.gz IQEVGGFUQZHQIZ-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001460798970 937546117 /nfs/dbraw/zinc/54/61/17/937546117.db2.gz BYSDBKISPDPIGG-HNNXBMFYSA-N 2 1 299.393 3.240 20 0 CGADMP CCc1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC001460979421 937557567 /nfs/dbraw/zinc/55/75/67/937557567.db2.gz LVPVYSPLMAPKOU-UHFFFAOYSA-N 2 1 286.463 3.483 20 0 CGADMP CCc1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001460979421 937557570 /nfs/dbraw/zinc/55/75/70/937557570.db2.gz LVPVYSPLMAPKOU-UHFFFAOYSA-N 2 1 286.463 3.483 20 0 CGADMP COc1cc2cc[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)c2cc1F ZINC000420235724 932034033 /nfs/dbraw/zinc/03/40/33/932034033.db2.gz IWOCSLBHBRDXEF-NEPJUHHUSA-N 2 1 289.354 3.064 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001461144250 937566483 /nfs/dbraw/zinc/56/64/83/937566483.db2.gz VMJCTZYYESARGN-PMPSAXMXSA-N 2 1 252.446 3.299 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001461144250 937566485 /nfs/dbraw/zinc/56/64/85/937566485.db2.gz VMJCTZYYESARGN-PMPSAXMXSA-N 2 1 252.446 3.299 20 0 CGADMP CC[N@H+]1CCC[C@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC001229622063 932179845 /nfs/dbraw/zinc/17/98/45/932179845.db2.gz LFOHMAQGVXNXKY-YOEHRIQHSA-N 2 1 276.424 3.172 20 0 CGADMP CC[N@H+]1CCC[C@@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC001229622060 932180135 /nfs/dbraw/zinc/18/01/35/932180135.db2.gz LFOHMAQGVXNXKY-RHSMWYFYSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccsc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC001461270746 937573659 /nfs/dbraw/zinc/57/36/59/937573659.db2.gz XDLBZUXYWVDCTF-UHFFFAOYSA-N 2 1 284.469 3.355 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC001461276793 937573996 /nfs/dbraw/zinc/57/39/96/937573996.db2.gz RWTPVPGHVWQVTA-RDJZCZTQSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001461424291 937580033 /nfs/dbraw/zinc/58/00/33/937580033.db2.gz NLAWIGMHLIVBPU-IPYPFGDCSA-N 2 1 261.413 3.062 20 0 CGADMP CCOc1cccc(C[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC001461620941 937589023 /nfs/dbraw/zinc/58/90/23/937589023.db2.gz TUXIUDYGCTZDQE-UHFFFAOYSA-N 2 1 278.440 3.153 20 0 CGADMP CCOc1cccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC001461620941 937589025 /nfs/dbraw/zinc/58/90/25/937589025.db2.gz TUXIUDYGCTZDQE-UHFFFAOYSA-N 2 1 278.440 3.153 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C(C)C)CC2)[C@@H](C)C1 ZINC001461872162 937602490 /nfs/dbraw/zinc/60/24/90/937602490.db2.gz UBUPFDSTUVGITR-GJZGRUSLSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C(C)C)CC2)[C@@H](C)C1 ZINC001461872162 937602492 /nfs/dbraw/zinc/60/24/92/937602492.db2.gz UBUPFDSTUVGITR-GJZGRUSLSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)CC1 ZINC001461977738 937609832 /nfs/dbraw/zinc/60/98/32/937609832.db2.gz VMIUMZWQRYEDTL-ZDUSSCGKSA-N 2 1 295.496 3.485 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235891169 932691003 /nfs/dbraw/zinc/69/10/03/932691003.db2.gz CTKKZRAOAGHNDA-OYNZBZHQSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235891169 932691005 /nfs/dbraw/zinc/69/10/05/932691005.db2.gz CTKKZRAOAGHNDA-OYNZBZHQSA-N 2 1 278.827 3.255 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001462321724 937632485 /nfs/dbraw/zinc/63/24/85/937632485.db2.gz YAQAWGKHWSZRQA-QZTJIDSGSA-N 2 1 297.531 3.018 20 0 CGADMP C/C=C/C[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC001307973538 933029589 /nfs/dbraw/zinc/02/95/89/933029589.db2.gz FIFHSUCYKUYSNQ-RRGWEWPQSA-N 2 1 252.446 3.397 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987349 933030814 /nfs/dbraw/zinc/03/08/14/933030814.db2.gz KBMDHKLCYMCOCO-IIYDPXPESA-N 2 1 290.838 3.211 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987349 933030818 /nfs/dbraw/zinc/03/08/18/933030818.db2.gz KBMDHKLCYMCOCO-IIYDPXPESA-N 2 1 290.838 3.211 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987349 933030824 /nfs/dbraw/zinc/03/08/24/933030824.db2.gz KBMDHKLCYMCOCO-IIYDPXPESA-N 2 1 290.838 3.211 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC001308215905 933074446 /nfs/dbraw/zinc/07/44/46/933074446.db2.gz KJQFKELPLACBDV-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001308223032 933075591 /nfs/dbraw/zinc/07/55/91/933075591.db2.gz PRLMZWKPYLKYJU-WCXIOVBPSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC001308223032 933075596 /nfs/dbraw/zinc/07/55/96/933075596.db2.gz PRLMZWKPYLKYJU-WCXIOVBPSA-N 2 1 282.472 3.044 20 0 CGADMP C1CC1[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001308441994 933111465 /nfs/dbraw/zinc/11/14/65/933111465.db2.gz VWWYOBPQKZLHPE-YVSFHVDLSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001308553120 933130392 /nfs/dbraw/zinc/13/03/92/933130392.db2.gz HCIGSXYQCFXQKT-UHDSXZAQSA-N 2 1 264.457 3.131 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308554970 933131897 /nfs/dbraw/zinc/13/18/97/933131897.db2.gz RYYVXPULBDNCNB-FVQBIDKESA-N 2 1 290.451 3.315 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001308554970 933131900 /nfs/dbraw/zinc/13/19/00/933131900.db2.gz RYYVXPULBDNCNB-FVQBIDKESA-N 2 1 290.451 3.315 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC001308848074 933189604 /nfs/dbraw/zinc/18/96/04/933189604.db2.gz OHCONIBUFYRNOE-ZWKOTPCHSA-N 2 1 274.452 3.358 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001308976729 933218976 /nfs/dbraw/zinc/21/89/76/933218976.db2.gz BIHXHAYGJREJRR-SFFUCWETSA-N 2 1 278.484 3.475 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC001319382020 933865506 /nfs/dbraw/zinc/86/55/06/933865506.db2.gz BZUGSTIYRADIQG-RGYNNNPXSA-N 2 1 276.468 3.133 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755716 933927906 /nfs/dbraw/zinc/92/79/06/933927906.db2.gz REPIWUOFWXWUBP-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755716 933927912 /nfs/dbraw/zinc/92/79/12/933927912.db2.gz REPIWUOFWXWUBP-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC001320689467 934089471 /nfs/dbraw/zinc/08/94/71/934089471.db2.gz FMMSIDIEGFLELX-OWCLPIDISA-N 2 1 252.446 3.134 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001322523215 934310185 /nfs/dbraw/zinc/31/01/85/934310185.db2.gz QFGQMMREFOHIDG-TZMCWYRMSA-N 2 1 298.390 3.341 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322641931 934322568 /nfs/dbraw/zinc/32/25/68/934322568.db2.gz FAWBCCRNOMFKFJ-XYPHTWIQSA-N 2 1 278.415 3.219 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC001323474972 934399109 /nfs/dbraw/zinc/39/91/09/934399109.db2.gz FSCGYBBFFUZXHO-DJIMGWMZSA-N 2 1 288.435 3.015 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001323977314 934444353 /nfs/dbraw/zinc/44/43/53/934444353.db2.gz NWPYLLKMKPWEIU-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001323991547 934446979 /nfs/dbraw/zinc/44/69/79/934446979.db2.gz QDUXKQSOUFGRMZ-JQHSSLGASA-N 2 1 274.452 3.388 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cccc(F)c2F)C1 ZINC001324929562 934873979 /nfs/dbraw/zinc/87/39/79/934873979.db2.gz VTGHRWOVEYKSLQ-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CCOc1ccc2c(c1)C[N@H+](CCCCCCC[NH3+])CC2 ZINC001327551504 935068668 /nfs/dbraw/zinc/06/86/68/935068668.db2.gz QDDFLUNFKIZGBL-UHFFFAOYSA-N 2 1 290.451 3.353 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC001328677676 935158627 /nfs/dbraw/zinc/15/86/27/935158627.db2.gz SGKYTZSDTWAJSO-INIZCTEOSA-N 2 1 298.430 3.353 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC001330355126 935286857 /nfs/dbraw/zinc/28/68/57/935286857.db2.gz YVLXUSPBHHFPOR-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC001330355126 935286860 /nfs/dbraw/zinc/28/68/60/935286860.db2.gz YVLXUSPBHHFPOR-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CSc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001333841114 936070524 /nfs/dbraw/zinc/07/05/24/936070524.db2.gz KOVMLXLXADXWDQ-IHRRRGAJSA-N 2 1 294.464 3.164 20 0 CGADMP CSCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC001335534487 936151603 /nfs/dbraw/zinc/15/16/03/936151603.db2.gz WYBSXCPZCMYXNH-YOEHRIQHSA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC001335534487 936151605 /nfs/dbraw/zinc/15/16/05/936151605.db2.gz WYBSXCPZCMYXNH-YOEHRIQHSA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001335534487 936151607 /nfs/dbraw/zinc/15/16/07/936151607.db2.gz WYBSXCPZCMYXNH-YOEHRIQHSA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001335534487 936151609 /nfs/dbraw/zinc/15/16/09/936151609.db2.gz WYBSXCPZCMYXNH-YOEHRIQHSA-N 2 1 292.492 3.322 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)nc2)C1 ZINC001335972802 936170556 /nfs/dbraw/zinc/17/05/56/936170556.db2.gz OTWWTZHDTNWENJ-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)nc2)C1 ZINC001335972802 936170561 /nfs/dbraw/zinc/17/05/61/936170561.db2.gz OTWWTZHDTNWENJ-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP Cn1c[nH+]cc1C1CCN(c2cc(C(C)(C)C)ccn2)CC1 ZINC001337459471 936260193 /nfs/dbraw/zinc/26/01/93/936260193.db2.gz RSUGIVWBSLJONV-UHFFFAOYSA-N 2 1 298.434 3.497 20 0 CGADMP CCOc1ccc(Cl)cc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC001473996022 937834704 /nfs/dbraw/zinc/83/47/04/937834704.db2.gz XBSJTOYXLCDEPM-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001473996022 937834706 /nfs/dbraw/zinc/83/47/06/937834706.db2.gz XBSJTOYXLCDEPM-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001473996022 937834708 /nfs/dbraw/zinc/83/47/08/937834708.db2.gz XBSJTOYXLCDEPM-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@H+](C)C[C@H]43)oc21 ZINC001474302279 937849912 /nfs/dbraw/zinc/84/99/12/937849912.db2.gz VGLHGFIKKSIVQJ-CGTJXYLNSA-N 2 1 298.430 3.425 20 0 CGADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](C)C[C@H]43)oc21 ZINC001474302279 937849914 /nfs/dbraw/zinc/84/99/14/937849914.db2.gz VGLHGFIKKSIVQJ-CGTJXYLNSA-N 2 1 298.430 3.425 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC(C)(C)C1 ZINC001474538837 937865862 /nfs/dbraw/zinc/86/58/62/937865862.db2.gz XGHQRCQXAZDERC-AWEZNQCLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CC1 ZINC001474670065 937873830 /nfs/dbraw/zinc/87/38/30/937873830.db2.gz AWNXNARTIBGMKX-BBRMVZONSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CC1 ZINC001474670065 937873831 /nfs/dbraw/zinc/87/38/31/937873831.db2.gz AWNXNARTIBGMKX-BBRMVZONSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2OCc3ccccc32)CC1 ZINC001474752365 937879024 /nfs/dbraw/zinc/87/90/24/937879024.db2.gz WILPBTLLODKAKC-QGZVFWFLSA-N 2 1 288.435 3.110 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@@H+](CC2CC([NH3+])C2)CC1 ZINC001550703627 938170190 /nfs/dbraw/zinc/17/01/90/938170190.db2.gz GLPFRYJBEZLJTQ-HWOWSKLDSA-N 2 1 288.435 3.002 20 0 CGADMP CCC(C)(C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001551285167 938179962 /nfs/dbraw/zinc/17/99/62/938179962.db2.gz YCDKCXSJYNHACC-ZNMIVQPWSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1C ZINC001560043793 938242598 /nfs/dbraw/zinc/24/25/98/938242598.db2.gz KOMGIRPPQLIVPJ-QZTJIDSGSA-N 2 1 272.436 3.077 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001560361116 938255014 /nfs/dbraw/zinc/25/50/14/938255014.db2.gz KEIXWVIYLRYOAY-VUGNNNGISA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC[N@H+]1C ZINC001560361116 938255016 /nfs/dbraw/zinc/25/50/16/938255016.db2.gz KEIXWVIYLRYOAY-VUGNNNGISA-N 2 1 294.483 3.187 20 0 CGADMP CS[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC001560523831 938261674 /nfs/dbraw/zinc/26/16/74/938261674.db2.gz QCUNHOOPUOEQRD-GJZGRUSLSA-N 2 1 272.502 3.228 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCCC(C)(C)CC2)CC1(C)C ZINC001560557002 938262915 /nfs/dbraw/zinc/26/29/15/938262915.db2.gz AJQLAMYEALMAGX-YJBOKZPZSA-N 2 1 296.499 3.170 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001575115304 962344744 /nfs/dbraw/zinc/34/47/44/962344744.db2.gz FEVOOBSLWXUJFF-QGZVFWFLSA-N 2 1 296.405 3.204 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)c1ccc(F)cc1 ZINC001575472864 962376552 /nfs/dbraw/zinc/37/65/52/962376552.db2.gz QLYUMYTWVOKXLV-OLZOCXBDSA-N 2 1 292.320 3.392 20 0 CGADMP CC(C)CSCCC[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575616520 962401000 /nfs/dbraw/zinc/40/10/00/962401000.db2.gz APWFWYOQJOZBJD-CVEARBPZSA-N 2 1 284.513 3.217 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])C(C)C ZINC001575593102 962404754 /nfs/dbraw/zinc/40/47/54/962404754.db2.gz FUXWQNSANJTGCS-QGZVFWFLSA-N 2 1 262.441 3.376 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001575655762 962413694 /nfs/dbraw/zinc/41/36/94/962413694.db2.gz PQUMLMZGHDFFCU-ROUUACIJSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001576066621 962426327 /nfs/dbraw/zinc/42/63/27/962426327.db2.gz OYKYAWYHYRFLGE-WOSRLPQWSA-N 2 1 272.392 3.094 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001576380481 962453352 /nfs/dbraw/zinc/45/33/52/962453352.db2.gz SLIUDUSOKBPFGS-CVEARBPZSA-N 2 1 288.366 3.301 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C[C@H]1C[NH3+] ZINC001576731211 962492100 /nfs/dbraw/zinc/49/21/00/962492100.db2.gz GMKDOSOAKFYMKK-VXGBXAGGSA-N 2 1 290.432 3.024 20 0 CGADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC001578241964 962576961 /nfs/dbraw/zinc/57/69/61/962576961.db2.gz UNHWTECCZNPGEV-XCRHUMRWSA-N 2 1 285.435 3.219 20 0 CGADMP COc1cccc(C[N@@H+](CC(C)C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001579274053 962621734 /nfs/dbraw/zinc/62/17/34/962621734.db2.gz LQUMIGWMDMRGNW-QGZVFWFLSA-N 2 1 290.451 3.153 20 0 CGADMP C[C@]1(C[N@H+]2CCCC[C@H]2CC[NH3+])C[C@@H]1c1ccccc1 ZINC001579509273 962627350 /nfs/dbraw/zinc/62/73/50/962627350.db2.gz DAIMZYWBICQRBP-RCCFBDPRSA-N 2 1 272.436 3.384 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC001579572185 962638359 /nfs/dbraw/zinc/63/83/59/962638359.db2.gz RDCXXGAIMDFMPR-OJBOGMDESA-N 2 1 284.447 3.309 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC001579572185 962638369 /nfs/dbraw/zinc/63/83/69/962638369.db2.gz RDCXXGAIMDFMPR-OJBOGMDESA-N 2 1 284.447 3.309 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC001579572171 962640549 /nfs/dbraw/zinc/64/05/49/962640549.db2.gz RDCXXGAIMDFMPR-DHJFXDNESA-N 2 1 284.447 3.309 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC001579572171 962640555 /nfs/dbraw/zinc/64/05/55/962640555.db2.gz RDCXXGAIMDFMPR-DHJFXDNESA-N 2 1 284.447 3.309 20 0 CGADMP Cc1cc(F)cc2c1C[N@@H+](C[C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC001579612649 962647700 /nfs/dbraw/zinc/64/77/00/962647700.db2.gz PAHBWDVUYWSXLN-SHTZXODSSA-N 2 1 290.426 3.257 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001579788905 962667747 /nfs/dbraw/zinc/66/77/47/962667747.db2.gz VVZSUYRWFUIZFR-GFCCVEGCSA-N 2 1 288.357 3.142 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c1 ZINC001579759816 962669223 /nfs/dbraw/zinc/66/92/23/962669223.db2.gz YQDUFGWSGGSAHN-WBVHZDCISA-N 2 1 260.425 3.048 20 0 CGADMP Clc1ccc(C2([NH2+]C[C@]34C[C@H]3C[NH2+]C4)CC2)cc1Cl ZINC001579938727 962685945 /nfs/dbraw/zinc/68/59/45/962685945.db2.gz ZMQZIBWFOXVUOE-SMDDNHRTSA-N 2 1 297.229 3.182 20 0 CGADMP Fc1cccc2c1CC[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001580034076 962689648 /nfs/dbraw/zinc/68/96/48/962689648.db2.gz GKCZBTRCOJNZDP-VHRNVKJDSA-N 2 1 288.410 3.105 20 0 CGADMP Fc1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC001580030014 962690855 /nfs/dbraw/zinc/69/08/55/962690855.db2.gz FFSUUNAFETWTPE-FUHWJXTLSA-N 2 1 290.426 3.222 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cc2cccnc2o1)CC1CCCC1 ZINC001580297043 962712921 /nfs/dbraw/zinc/71/29/21/962712921.db2.gz DTRPKNWTLIJIEM-UHFFFAOYSA-N 2 1 287.407 3.169 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CCC3C[NH2+]C3)[C@@H]3CCCC[C@H]23)cc1 ZINC001580893236 962743445 /nfs/dbraw/zinc/74/34/45/962743445.db2.gz YLUGQUYPRPKALJ-CEXWTWQISA-N 2 1 284.447 3.254 20 0 CGADMP c1cc2cccc3c2c(c1)CC[C@@H]3[NH2+]C[C@H]1CCC[NH2+]1 ZINC001580889464 962743638 /nfs/dbraw/zinc/74/36/38/962743638.db2.gz APADFAWCGZFUNB-WBVHZDCISA-N 2 1 266.388 3.169 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000127673906 187325548 /nfs/dbraw/zinc/32/55/48/187325548.db2.gz NERBCXKZYAIKRN-RDFMZFSFSA-N 2 1 287.382 3.270 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nn1C ZINC000337521187 214136796 /nfs/dbraw/zinc/13/67/96/214136796.db2.gz PKXWESPAHUMJOM-HOCLYGCPSA-N 2 1 292.471 3.034 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000125253542 187176672 /nfs/dbraw/zinc/17/66/72/187176672.db2.gz VBXSSWSUWOEOPH-JQHSSLGASA-N 2 1 288.435 3.033 20 0 CGADMP CC[C@@]1(C)CCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705037 398271768 /nfs/dbraw/zinc/27/17/68/398271768.db2.gz DWQLCWICCQWBQT-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000337765649 214252698 /nfs/dbraw/zinc/25/26/98/214252698.db2.gz SJNRDIQTXOSIIQ-IBGZPJMESA-N 2 1 298.430 3.279 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725008 398276435 /nfs/dbraw/zinc/27/64/35/398276435.db2.gz PPTQITSWYOGGLF-VIYLOZMYSA-N 2 1 282.472 3.043 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725008 398276437 /nfs/dbraw/zinc/27/64/37/398276437.db2.gz PPTQITSWYOGGLF-VIYLOZMYSA-N 2 1 282.472 3.043 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]CCCn1cc[nH+]c1C ZINC000337948264 214326722 /nfs/dbraw/zinc/32/67/22/214326722.db2.gz WFGUIWOKVUDIQD-FYWRMAATSA-N 2 1 269.392 3.275 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000651864998 398298205 /nfs/dbraw/zinc/29/82/05/398298205.db2.gz KOTSJSABYVCZCI-KZNAEPCWSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000651866169 398298863 /nfs/dbraw/zinc/29/88/63/398298863.db2.gz XMFVLOOCEKRPPQ-INIZCTEOSA-N 2 1 290.451 3.120 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000337991450 214348833 /nfs/dbraw/zinc/34/88/33/214348833.db2.gz GQZNIJQBMHQDJQ-GFCCVEGCSA-N 2 1 293.361 3.081 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338024570 214368648 /nfs/dbraw/zinc/36/86/48/214368648.db2.gz UOSIIOPMVKQSCR-FVQBIDKESA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@H](F)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000440494113 529438643 /nfs/dbraw/zinc/43/86/43/529438643.db2.gz ZPQJULSSQAEUSE-XIRDDKMYSA-N 2 1 278.415 3.235 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000623085889 349757800 /nfs/dbraw/zinc/75/78/00/349757800.db2.gz LJJLZWDETUWNQS-UHFFFAOYSA-N 2 1 283.419 3.410 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1C ZINC000623336176 349780645 /nfs/dbraw/zinc/78/06/45/349780645.db2.gz ZRCAMTHBPHIMNX-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1F ZINC000423333519 529616746 /nfs/dbraw/zinc/61/67/46/529616746.db2.gz HRVLFCYCCJHXMR-HOTGVXAUSA-N 2 1 264.388 3.256 20 0 CGADMP COc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623364015 349789922 /nfs/dbraw/zinc/78/99/22/349789922.db2.gz PDKMRIUPDMZUCV-UKRRQHHQSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000423453467 529651376 /nfs/dbraw/zinc/65/13/76/529651376.db2.gz XQYGEHRLAKYGRB-NRUUGDAUSA-N 2 1 272.339 3.064 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)CC1(C)C ZINC000623355194 349787305 /nfs/dbraw/zinc/78/73/05/349787305.db2.gz CMGURZZAIFZGNL-INIZCTEOSA-N 2 1 274.452 3.427 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126314227 187232805 /nfs/dbraw/zinc/23/28/05/187232805.db2.gz DIPLJXSQRUQBHT-QWHCGFSZSA-N 2 1 272.396 3.100 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623408029 349800736 /nfs/dbraw/zinc/80/07/36/349800736.db2.gz FALVJABTNAYLMO-RDJZCZTQSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405858 349801057 /nfs/dbraw/zinc/80/10/57/349801057.db2.gz AQBQVNFBKDQBPQ-PBHICJAKSA-N 2 1 272.436 3.445 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)CC1(C)C ZINC000623419833 349803707 /nfs/dbraw/zinc/80/37/07/349803707.db2.gz ZJPSCNLVXNHFNY-AWEZNQCLSA-N 2 1 272.392 3.395 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)CC1(C)C ZINC000623419833 349803712 /nfs/dbraw/zinc/80/37/12/349803712.db2.gz ZJPSCNLVXNHFNY-AWEZNQCLSA-N 2 1 272.392 3.395 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447288 349811473 /nfs/dbraw/zinc/81/14/73/349811473.db2.gz LTSBQHWSZKZGHJ-XJKSGUPXSA-N 2 1 288.435 3.145 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)CC1(C)C ZINC000623446956 349811653 /nfs/dbraw/zinc/81/16/53/349811653.db2.gz YBXFBYWKAUQDHI-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP CCC(CC)[C@H](CC[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000353152332 282272871 /nfs/dbraw/zinc/27/28/71/282272871.db2.gz PJAYOHBBIJPPDV-KRWDZBQOSA-N 2 1 293.455 3.079 20 0 CGADMP Cc1cc(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccn1 ZINC000623438355 349809898 /nfs/dbraw/zinc/80/98/98/349809898.db2.gz WRUKFTGQQPDTSG-QGZVFWFLSA-N 2 1 297.446 3.390 20 0 CGADMP Cc1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccn1 ZINC000623438355 349809901 /nfs/dbraw/zinc/80/99/01/349809901.db2.gz WRUKFTGQQPDTSG-QGZVFWFLSA-N 2 1 297.446 3.390 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC3CCC2CC3)CC1(C)C ZINC000623453373 349813114 /nfs/dbraw/zinc/81/31/14/349813114.db2.gz LZALFEFKPBCCTP-CVSAEHQPSA-N 2 1 250.430 3.028 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000358341454 282273947 /nfs/dbraw/zinc/27/39/47/282273947.db2.gz NTFDCHVFQNXMNL-PVAVHDDUSA-N 2 1 284.488 3.148 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020031 199302735 /nfs/dbraw/zinc/30/27/35/199302735.db2.gz ZYYHVYGBAPMXIP-KBPBESRZSA-N 2 1 296.405 3.342 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020031 199302737 /nfs/dbraw/zinc/30/27/37/199302737.db2.gz ZYYHVYGBAPMXIP-KBPBESRZSA-N 2 1 296.405 3.342 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020031 199302738 /nfs/dbraw/zinc/30/27/38/199302738.db2.gz ZYYHVYGBAPMXIP-KBPBESRZSA-N 2 1 296.405 3.342 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020031 199302740 /nfs/dbraw/zinc/30/27/40/199302740.db2.gz ZYYHVYGBAPMXIP-KBPBESRZSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478209 349816382 /nfs/dbraw/zinc/81/63/82/349816382.db2.gz DDAIWOKNGHZLOV-NEPJUHHUSA-N 2 1 282.378 3.488 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC000623477674 349816556 /nfs/dbraw/zinc/81/65/56/349816556.db2.gz ONHIJUFVGXUVMU-ILXRZTDVSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623556304 349833320 /nfs/dbraw/zinc/83/33/20/349833320.db2.gz AADCYBWUSYPQBV-HNNXBMFYSA-N 2 1 272.436 3.447 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]1Cc1ccccc1 ZINC000351473470 219099481 /nfs/dbraw/zinc/09/94/81/219099481.db2.gz UYVUUVGITKTTTI-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000351473470 219099482 /nfs/dbraw/zinc/09/94/82/219099482.db2.gz UYVUUVGITKTTTI-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000351473470 219099483 /nfs/dbraw/zinc/09/94/83/219099483.db2.gz UYVUUVGITKTTTI-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623542192 349830500 /nfs/dbraw/zinc/83/05/00/349830500.db2.gz QNBOZUIXDMZZNB-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@H]2CCC[C@H]21 ZINC000423436692 529806513 /nfs/dbraw/zinc/80/65/13/529806513.db2.gz FPQJZIDHJHHKNR-NZSAHSFTSA-N 2 1 299.462 3.007 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1C ZINC000351495018 219106261 /nfs/dbraw/zinc/10/62/61/219106261.db2.gz PHBRHSHEIIMUJQ-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP CSc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623657399 349859330 /nfs/dbraw/zinc/85/93/30/349859330.db2.gz PVSCCCBUPKNSTB-LBPRGKRZSA-N 2 1 284.494 3.292 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000480236059 534957192 /nfs/dbraw/zinc/95/71/92/534957192.db2.gz YNWITRCBWYYMKJ-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000423283095 529985728 /nfs/dbraw/zinc/98/57/28/529985728.db2.gz XCIULRJGUOMIIP-NEPJUHHUSA-N 2 1 286.366 3.103 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423269184 529999110 /nfs/dbraw/zinc/99/91/10/529999110.db2.gz GXIDBZDNYMBQOG-UWVGGRQHSA-N 2 1 275.223 3.500 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1ccc(O)cc1)Cc1ccccc1 ZINC000019913200 344890944 /nfs/dbraw/zinc/89/09/44/344890944.db2.gz XYRVYCKPWBIOJX-UHFFFAOYSA-N 2 1 284.403 3.004 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000044533283 345012597 /nfs/dbraw/zinc/01/25/97/345012597.db2.gz PRJVCIMLXVTTLW-YJBOKZPZSA-N 2 1 272.436 3.378 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044532931 345012727 /nfs/dbraw/zinc/01/27/27/345012727.db2.gz CVUKYJLGDTXRPQ-NVXWUHKLSA-N 2 1 260.425 3.315 20 0 CGADMP C[C@H](CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044532692 345012870 /nfs/dbraw/zinc/01/28/70/345012870.db2.gz ONNDNBQVQQYRCP-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295100721 199344350 /nfs/dbraw/zinc/34/43/50/199344350.db2.gz UVOWLEQXGBDXPH-OOKSDGMUSA-N 2 1 272.436 3.223 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000066593978 345300924 /nfs/dbraw/zinc/30/09/24/345300924.db2.gz QGAKOONIJNFUSP-GFCCVEGCSA-N 2 1 277.437 3.241 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000070174729 345388352 /nfs/dbraw/zinc/38/83/52/345388352.db2.gz GUOLWVWSJSHCIB-KBPBESRZSA-N 2 1 296.842 3.168 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCCC1 ZINC000149433337 232203820 /nfs/dbraw/zinc/20/38/20/232203820.db2.gz BHUPJIYFDRRVQL-INIZCTEOSA-N 2 1 292.854 3.271 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043109 345827674 /nfs/dbraw/zinc/82/76/74/345827674.db2.gz SNHSOMBYGOMVLO-UKRRQHHQSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043109 345827675 /nfs/dbraw/zinc/82/76/75/345827675.db2.gz SNHSOMBYGOMVLO-UKRRQHHQSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000092043109 345827677 /nfs/dbraw/zinc/82/76/77/345827677.db2.gz SNHSOMBYGOMVLO-UKRRQHHQSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000092043109 345827679 /nfs/dbraw/zinc/82/76/79/345827679.db2.gz SNHSOMBYGOMVLO-UKRRQHHQSA-N 2 1 293.480 3.183 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@@H+]1C ZINC000129966845 346053784 /nfs/dbraw/zinc/05/37/84/346053784.db2.gz NLCWCXLGIISXIJ-MROQNXINSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@H+]1C ZINC000129966845 346053786 /nfs/dbraw/zinc/05/37/86/346053786.db2.gz NLCWCXLGIISXIJ-MROQNXINSA-N 2 1 278.362 3.180 20 0 CGADMP CCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000127553205 187314964 /nfs/dbraw/zinc/31/49/64/187314964.db2.gz JGGOQOSXXVHONE-UHFFFAOYSA-N 2 1 289.467 3.059 20 0 CGADMP Cc1sccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000351666099 219169680 /nfs/dbraw/zinc/16/96/80/219169680.db2.gz UXAYDWKCLHYVKN-OAHLLOKOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1sccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000351666099 219169681 /nfs/dbraw/zinc/16/96/81/219169681.db2.gz UXAYDWKCLHYVKN-OAHLLOKOSA-N 2 1 278.465 3.364 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178039610 232380481 /nfs/dbraw/zinc/38/04/81/232380481.db2.gz WQQRYERUTIZCKH-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228288085 346313796 /nfs/dbraw/zinc/31/37/96/346313796.db2.gz IBMVGUNQLGIXBX-YPMHNXCESA-N 2 1 258.365 3.053 20 0 CGADMP CC(C)(C)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236620414 346341762 /nfs/dbraw/zinc/34/17/62/346341762.db2.gz LJMYVTJXZNMWRQ-QGZVFWFLSA-N 2 1 274.452 3.187 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000401793814 346592354 /nfs/dbraw/zinc/59/23/54/346592354.db2.gz XUKCHSKLDCXJBL-QGZVFWFLSA-N 2 1 294.402 3.111 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000401783576 346592647 /nfs/dbraw/zinc/59/26/47/346592647.db2.gz YDVKHKUFFVYEKV-UHFFFAOYSA-N 2 1 284.190 3.059 20 0 CGADMP CCSCC[C@@H](C)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000595884379 347370302 /nfs/dbraw/zinc/37/03/02/347370302.db2.gz DYAVXBFOVXYDPB-CQSZACIVSA-N 2 1 292.492 3.296 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000351862493 219229857 /nfs/dbraw/zinc/22/98/57/219229857.db2.gz POIYMZOYUQNEEG-HUUCEWRRSA-N 2 1 290.451 3.032 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000351866375 219232290 /nfs/dbraw/zinc/23/22/90/219232290.db2.gz SFLBSCYTSACWKV-LSDHHAIUSA-N 2 1 297.402 3.043 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000624122923 349981513 /nfs/dbraw/zinc/98/15/13/349981513.db2.gz BGCVEGYDWBWUOF-PBHICJAKSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000624122092 349980656 /nfs/dbraw/zinc/98/06/56/349980656.db2.gz JMHIZLJWJIDTEU-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000624122926 349981971 /nfs/dbraw/zinc/98/19/71/349981971.db2.gz BGCVEGYDWBWUOF-YOEHRIQHSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000624123324 349983080 /nfs/dbraw/zinc/98/30/80/349983080.db2.gz JWNKCBCUXUYPCD-QWHCGFSZSA-N 2 1 297.393 3.402 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000624123324 349983082 /nfs/dbraw/zinc/98/30/82/349983082.db2.gz JWNKCBCUXUYPCD-QWHCGFSZSA-N 2 1 297.393 3.402 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000339407578 215152233 /nfs/dbraw/zinc/15/22/33/215152233.db2.gz PRFMRLUOYQDQEE-FJIDUMEYSA-N 2 1 272.436 3.095 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000339407548 215152508 /nfs/dbraw/zinc/15/25/08/215152508.db2.gz OYJDZWJSFJCAFE-IRXDYDNUSA-N 2 1 290.451 3.295 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000624123281 349982621 /nfs/dbraw/zinc/98/26/21/349982621.db2.gz IYCDDWUBIIDWBE-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901187 348205338 /nfs/dbraw/zinc/20/53/38/348205338.db2.gz KFHVROBCOYDNDR-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC000339438194 215169942 /nfs/dbraw/zinc/16/99/42/215169942.db2.gz DPBBRALWPNZNRH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC000339438194 215169944 /nfs/dbraw/zinc/16/99/44/215169944.db2.gz DPBBRALWPNZNRH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4ccccc4o3)C2)C1 ZINC000339438194 215169946 /nfs/dbraw/zinc/16/99/46/215169946.db2.gz DPBBRALWPNZNRH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4ccccc4o3)C2)C1 ZINC000339438194 215169948 /nfs/dbraw/zinc/16/99/48/215169948.db2.gz DPBBRALWPNZNRH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2CC(C)(C)C)CC[NH2+]1 ZINC000414687367 297252353 /nfs/dbraw/zinc/25/23/53/297252353.db2.gz HCHNFUKTFJMSTJ-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000273431842 192147604 /nfs/dbraw/zinc/14/76/04/192147604.db2.gz ZFONTXAZXGPVFY-HNNXBMFYSA-N 2 1 288.435 3.225 20 0 CGADMP CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000358039291 233045191 /nfs/dbraw/zinc/04/51/91/233045191.db2.gz ACUKXXRVXXYGNG-CABCVRRESA-N 2 1 278.440 3.040 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625654361 350192428 /nfs/dbraw/zinc/19/24/28/350192428.db2.gz NMYRDGMCBKIFRL-CHWSQXEVSA-N 2 1 285.382 3.195 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)C1(F)F ZINC000625648190 350188675 /nfs/dbraw/zinc/18/86/75/350188675.db2.gz PDTJUVXKKOZBBN-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP Cc1c[nH+]ccc1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000359629478 233347777 /nfs/dbraw/zinc/34/77/77/233347777.db2.gz GVNWXVQWDBVWHY-LJQANCHMSA-N 2 1 295.430 3.134 20 0 CGADMP CC[N@@H+](CCCOC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062416 350254680 /nfs/dbraw/zinc/25/46/80/350254680.db2.gz RNPPYQRRBZPYFV-UHFFFAOYSA-N 2 1 292.467 3.385 20 0 CGADMP CC[N@@H+](CC[C@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062740 350254769 /nfs/dbraw/zinc/25/47/69/350254769.db2.gz FCHCQHOUHOFVEN-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000628278472 350475634 /nfs/dbraw/zinc/47/56/34/350475634.db2.gz RMSAIYUALSWSPR-SJORKVTESA-N 2 1 274.452 3.418 20 0 CGADMP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000628309460 350492959 /nfs/dbraw/zinc/49/29/59/350492959.db2.gz WMYQNXPCINCCGL-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000628425943 350536607 /nfs/dbraw/zinc/53/66/07/350536607.db2.gz ZYGNOUOWQPEDGG-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000629540299 350706744 /nfs/dbraw/zinc/70/67/44/350706744.db2.gz OPWVNNZRUWYXAQ-ZQIUZPCESA-N 2 1 289.467 3.319 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000629547864 350709915 /nfs/dbraw/zinc/70/99/15/350709915.db2.gz VRBYBFFSCUCUOM-RUAUBTSSSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000629549751 350710917 /nfs/dbraw/zinc/71/09/17/350710917.db2.gz HXWURHYVZAFQIE-GXSJLCMTSA-N 2 1 292.370 3.245 20 0 CGADMP Clc1cccc([C@H]2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c1 ZINC000629555346 350712578 /nfs/dbraw/zinc/71/25/78/350712578.db2.gz VDLLKWIJWFWHNV-CWRNSKLLSA-N 2 1 278.827 3.318 20 0 CGADMP CC(C)(C)CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565640 350713871 /nfs/dbraw/zinc/71/38/71/350713871.db2.gz WSKGJDGSIYCFLH-RYUDHWBXSA-N 2 1 280.378 3.272 20 0 CGADMP Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000629580722 350715032 /nfs/dbraw/zinc/71/50/32/350715032.db2.gz FOLUPDPSIBXJRL-CQSZACIVSA-N 2 1 297.240 3.243 20 0 CGADMP Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000629580722 350715034 /nfs/dbraw/zinc/71/50/34/350715034.db2.gz FOLUPDPSIBXJRL-CQSZACIVSA-N 2 1 297.240 3.243 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccccc1SC ZINC000629388670 350686529 /nfs/dbraw/zinc/68/65/29/350686529.db2.gz OJNUSPQAZQJVMF-AEGPPILISA-N 2 1 278.465 3.070 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396377 350688600 /nfs/dbraw/zinc/68/86/00/350688600.db2.gz LJKCZBVTAXSRCR-LALPHHSUSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629411995 350689995 /nfs/dbraw/zinc/68/99/95/350689995.db2.gz JLSGEXAYZFOIET-WOPDTQHZSA-N 2 1 286.872 3.453 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000629509652 350699220 /nfs/dbraw/zinc/69/92/20/350699220.db2.gz GPGSCMFFSAPBGZ-GJZGRUSLSA-N 2 1 289.467 3.327 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629656947 350731212 /nfs/dbraw/zinc/73/12/12/350731212.db2.gz SDSVBHJGOJCUJD-JQWIXIFHSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629656947 350731214 /nfs/dbraw/zinc/73/12/14/350731214.db2.gz SDSVBHJGOJCUJD-JQWIXIFHSA-N 2 1 292.370 3.016 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629653746 350731398 /nfs/dbraw/zinc/73/13/98/350731398.db2.gz GADLTRHLZXKRKW-PWZNUNQRSA-N 2 1 298.352 3.159 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629653746 350731399 /nfs/dbraw/zinc/73/13/99/350731399.db2.gz GADLTRHLZXKRKW-PWZNUNQRSA-N 2 1 298.352 3.159 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc3ccccc3s1)C2 ZINC000629666479 350733357 /nfs/dbraw/zinc/73/33/57/350733357.db2.gz PUTGFIMAZMOQAP-CALCHBBNSA-N 2 1 286.444 3.333 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc3ccccc3s1)C2 ZINC000629666479 350733359 /nfs/dbraw/zinc/73/33/59/350733359.db2.gz PUTGFIMAZMOQAP-CALCHBBNSA-N 2 1 286.444 3.333 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631039485 350933551 /nfs/dbraw/zinc/93/35/51/350933551.db2.gz WHPWQMDJXDGBDE-UHFFFAOYSA-N 2 1 297.393 3.229 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH2+]CCc2c[nH+]cn2C)c(C)c1 ZINC000631179746 350980840 /nfs/dbraw/zinc/98/08/40/350980840.db2.gz JAXFBJQOKNWVNF-WAYWQWQTSA-N 2 1 283.419 3.191 20 0 CGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000631636817 351101228 /nfs/dbraw/zinc/10/12/28/351101228.db2.gz IMKCZIRAUVJBKX-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000631648820 351105571 /nfs/dbraw/zinc/10/55/71/351105571.db2.gz RTLQWHGDAVUSMG-APWZRJJASA-N 2 1 299.462 3.171 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631890605 351152860 /nfs/dbraw/zinc/15/28/60/351152860.db2.gz TURHWQCSPMMTQD-GJZGRUSLSA-N 2 1 280.362 3.198 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634677850 351563742 /nfs/dbraw/zinc/56/37/42/351563742.db2.gz AHQJNRNPEQOMLQ-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679662 351564641 /nfs/dbraw/zinc/56/46/41/351564641.db2.gz BEVSXTHZWZIWAZ-CVEARBPZSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679662 351564647 /nfs/dbraw/zinc/56/46/47/351564647.db2.gz BEVSXTHZWZIWAZ-CVEARBPZSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3ncccc23)C[C@H]1C[NH3+] ZINC000634687974 351573722 /nfs/dbraw/zinc/57/37/22/351573722.db2.gz DYYWOXNUQYBYDS-IIAWOOMASA-N 2 1 283.419 3.040 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635010012 351628569 /nfs/dbraw/zinc/62/85/69/351628569.db2.gz PRJXRQBRQAZWHS-NEPJUHHUSA-N 2 1 292.732 3.328 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCC2CCCC2)CC[N@@H+]1C ZINC000122077048 187014130 /nfs/dbraw/zinc/01/41/30/187014130.db2.gz PEDYGBWCYSKUOI-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCC2CCCC2)CC[N@H+]1C ZINC000122077048 187014131 /nfs/dbraw/zinc/01/41/31/187014131.db2.gz PEDYGBWCYSKUOI-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCC2CCCC2)CC[NH+]1C ZINC000122077048 187014132 /nfs/dbraw/zinc/01/41/32/187014132.db2.gz PEDYGBWCYSKUOI-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCC2CCCC2)CC[NH+]1C ZINC000122077048 187014133 /nfs/dbraw/zinc/01/41/33/187014133.db2.gz PEDYGBWCYSKUOI-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000123387506 187089162 /nfs/dbraw/zinc/08/91/62/187089162.db2.gz BXDYZIAYNPKALA-JSGCOSHPSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000123387506 187089163 /nfs/dbraw/zinc/08/91/63/187089163.db2.gz BXDYZIAYNPKALA-JSGCOSHPSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH+]1C ZINC000123387506 187089164 /nfs/dbraw/zinc/08/91/64/187089164.db2.gz BXDYZIAYNPKALA-JSGCOSHPSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH+]1C ZINC000123387506 187089165 /nfs/dbraw/zinc/08/91/65/187089165.db2.gz BXDYZIAYNPKALA-JSGCOSHPSA-N 2 1 298.377 3.203 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123508406 187095854 /nfs/dbraw/zinc/09/58/54/187095854.db2.gz UNYBLNUPVSINBJ-DOTOQJQBSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123508406 187095855 /nfs/dbraw/zinc/09/58/55/187095855.db2.gz UNYBLNUPVSINBJ-DOTOQJQBSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123508406 187095856 /nfs/dbraw/zinc/09/58/56/187095856.db2.gz UNYBLNUPVSINBJ-DOTOQJQBSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123508406 187095857 /nfs/dbraw/zinc/09/58/57/187095857.db2.gz UNYBLNUPVSINBJ-DOTOQJQBSA-N 2 1 290.451 3.388 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000123584242 187099627 /nfs/dbraw/zinc/09/96/27/187099627.db2.gz NGCLJSHQRQSYKA-OCCSQVGLSA-N 2 1 272.392 3.300 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000271476112 191160009 /nfs/dbraw/zinc/16/00/09/191160009.db2.gz MODZZYSLHMLYHI-WWGRRREGSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000271476112 191160012 /nfs/dbraw/zinc/16/00/12/191160012.db2.gz MODZZYSLHMLYHI-WWGRRREGSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000271476115 191161209 /nfs/dbraw/zinc/16/12/09/191161209.db2.gz MODZZYSLHMLYHI-XJKCOSOUSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000271476115 191161212 /nfs/dbraw/zinc/16/12/12/191161212.db2.gz MODZZYSLHMLYHI-XJKCOSOUSA-N 2 1 272.392 3.251 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)CC1 ZINC000365451593 234104189 /nfs/dbraw/zinc/10/41/89/234104189.db2.gz BOUYDDTUINXLPS-QGZVFWFLSA-N 2 1 274.452 3.380 20 0 CGADMP c1n[nH]c2c1[C@H]([NH2+]CCCCC[NH+]1CCCCC1)CCC2 ZINC000367741160 234247794 /nfs/dbraw/zinc/24/77/94/234247794.db2.gz RMCNJKYFGHSLOH-MRXNPFEDSA-N 2 1 290.455 3.033 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000368101455 234281932 /nfs/dbraw/zinc/28/19/32/234281932.db2.gz KJBPFISKTIWDLM-GDBMZVCRSA-N 2 1 283.419 3.186 20 0 CGADMP CC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000153719458 188099130 /nfs/dbraw/zinc/09/91/30/188099130.db2.gz LMCVCDNOWLGTIF-LLVKDONJSA-N 2 1 261.344 3.208 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCF ZINC000368509254 234317203 /nfs/dbraw/zinc/31/72/03/234317203.db2.gz YZPIRFPEJDFHGC-WBVHZDCISA-N 2 1 278.415 3.236 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCF ZINC000368509254 234317206 /nfs/dbraw/zinc/31/72/06/234317206.db2.gz YZPIRFPEJDFHGC-WBVHZDCISA-N 2 1 278.415 3.236 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)[C@H](C)C1 ZINC000155299989 188196969 /nfs/dbraw/zinc/19/69/69/188196969.db2.gz VIDJQPXWJXOTMT-RHSMWYFYSA-N 2 1 290.426 3.177 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000156818983 188283331 /nfs/dbraw/zinc/28/33/31/188283331.db2.gz NGJVJOYACUGXJP-XUJVJEKNSA-N 2 1 296.842 3.167 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000156818983 188283332 /nfs/dbraw/zinc/28/33/32/188283332.db2.gz NGJVJOYACUGXJP-XUJVJEKNSA-N 2 1 296.842 3.167 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2)[C@H](C)C1 ZINC000157074427 188295590 /nfs/dbraw/zinc/29/55/90/188295590.db2.gz CTSJWIPKQMCWJT-CZUORRHYSA-N 2 1 280.843 3.202 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccccc3)CC[C@@H]21 ZINC000158767344 188392593 /nfs/dbraw/zinc/39/25/93/188392593.db2.gz WEISWJJHJUAQEO-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271776957 191321388 /nfs/dbraw/zinc/32/13/88/191321388.db2.gz CRBIICZYPZIMAC-UHFFFAOYSA-N 2 1 284.403 3.347 20 0 CGADMP Cc1c[nH+]ccc1N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000413530240 235286762 /nfs/dbraw/zinc/28/67/62/235286762.db2.gz IWJBWFNZHACPNW-INIZCTEOSA-N 2 1 281.403 3.101 20 0 CGADMP Cc1cc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000413535689 235287890 /nfs/dbraw/zinc/28/78/90/235287890.db2.gz UFGRUJQMAPRIPI-INIZCTEOSA-N 2 1 281.403 3.101 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)c1 ZINC000414079570 235331226 /nfs/dbraw/zinc/33/12/26/235331226.db2.gz SZDSFWFNWGMZGH-AWEZNQCLSA-N 2 1 287.407 3.249 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000414179663 235355935 /nfs/dbraw/zinc/35/59/35/235355935.db2.gz LMEKLIRBMVCOET-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414192060 235359962 /nfs/dbraw/zinc/35/99/62/235359962.db2.gz SRXVVSNSCPEREZ-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000513696909 283142783 /nfs/dbraw/zinc/14/27/83/283142783.db2.gz GLFHQWIJSCTJPJ-UVPYHEFZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2c(F)cccc2F)C2CC2)CC[NH2+]1 ZINC000414741716 235459249 /nfs/dbraw/zinc/45/92/49/235459249.db2.gz FOZABRIVPJIANK-OLZOCXBDSA-N 2 1 294.389 3.317 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420399738 235746554 /nfs/dbraw/zinc/74/65/54/235746554.db2.gz OGJNJTRRFHLACN-MOPGFXCFSA-N 2 1 286.463 3.392 20 0 CGADMP CCO[C@H]1C[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124316414 138374609 /nfs/dbraw/zinc/37/46/09/138374609.db2.gz NUGGPLGGXMNRRX-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124316414 138374610 /nfs/dbraw/zinc/37/46/10/138374610.db2.gz NUGGPLGGXMNRRX-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1Cl ZINC000124697773 138376908 /nfs/dbraw/zinc/37/69/08/138376908.db2.gz AFBCOHRNRDZLOU-CHWSQXEVSA-N 2 1 266.816 3.475 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1Cl ZINC000124697773 138376909 /nfs/dbraw/zinc/37/69/09/138376909.db2.gz AFBCOHRNRDZLOU-CHWSQXEVSA-N 2 1 266.816 3.475 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccc(F)cc1)C1CC1 ZINC000124744413 138377470 /nfs/dbraw/zinc/37/74/70/138377470.db2.gz CNVUELGCHXGBES-INIZCTEOSA-N 2 1 276.399 3.274 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccc(F)cc1)C1CC1 ZINC000124744413 138377472 /nfs/dbraw/zinc/37/74/72/138377472.db2.gz CNVUELGCHXGBES-INIZCTEOSA-N 2 1 276.399 3.274 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000124744413 138377473 /nfs/dbraw/zinc/37/74/73/138377473.db2.gz CNVUELGCHXGBES-INIZCTEOSA-N 2 1 276.399 3.274 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000124744413 138377475 /nfs/dbraw/zinc/37/74/75/138377475.db2.gz CNVUELGCHXGBES-INIZCTEOSA-N 2 1 276.399 3.274 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000124011548 138372198 /nfs/dbraw/zinc/37/21/98/138372198.db2.gz AYESLAYDALQAOK-OAHLLOKOSA-N 2 1 290.451 3.043 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000128975445 138395873 /nfs/dbraw/zinc/39/58/73/138395873.db2.gz LMKLTDLIQLBKOH-UHFFFAOYSA-N 2 1 272.795 3.157 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162550 138396073 /nfs/dbraw/zinc/39/60/73/138396073.db2.gz DHCAHSVGFRNDTL-RDJZCZTQSA-N 2 1 290.476 3.195 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162550 138396075 /nfs/dbraw/zinc/39/60/75/138396075.db2.gz DHCAHSVGFRNDTL-RDJZCZTQSA-N 2 1 290.476 3.195 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162550 138396076 /nfs/dbraw/zinc/39/60/76/138396076.db2.gz DHCAHSVGFRNDTL-RDJZCZTQSA-N 2 1 290.476 3.195 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000127311606 138389151 /nfs/dbraw/zinc/38/91/51/138389151.db2.gz CJTIQEWYSRAGHU-MRXNPFEDSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000127311606 138389152 /nfs/dbraw/zinc/38/91/52/138389152.db2.gz CJTIQEWYSRAGHU-MRXNPFEDSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186319223 138441312 /nfs/dbraw/zinc/44/13/12/138441312.db2.gz ZDQUTVOXYJHTFY-SJORKVTESA-N 2 1 293.455 3.155 20 0 CGADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423228129 236003407 /nfs/dbraw/zinc/00/34/07/236003407.db2.gz YHWLERPIHZETJY-QWRGUYRKSA-N 2 1 293.411 3.337 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423277660 236019467 /nfs/dbraw/zinc/01/94/67/236019467.db2.gz PQHOXVSHEBLJJY-ZYHUDNBSSA-N 2 1 283.485 3.383 20 0 CGADMP Cc1nc(-c2cc([C@H](C)[NH2+]CC3C[NH2+]C3)cs2)cs1 ZINC000423299765 236030124 /nfs/dbraw/zinc/03/01/24/236030124.db2.gz CIKHCCIVVUSZDW-VIFPVBQESA-N 2 1 293.461 3.050 20 0 CGADMP Cc1cc([C@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CC2)ccc1F ZINC000423266153 236014508 /nfs/dbraw/zinc/01/45/08/236014508.db2.gz DFIRTUUQIFWZFY-JKSUJKDBSA-N 2 1 264.388 3.158 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cnn1C(C)C ZINC000423268227 236014874 /nfs/dbraw/zinc/01/48/74/236014874.db2.gz UMQWXJOKSKCBRW-SUMWQHHRSA-N 2 1 292.471 3.331 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc(C)c1F ZINC000423273064 236017964 /nfs/dbraw/zinc/01/79/64/236017964.db2.gz KGXAOJUTXGKVBW-GXTWGEPZSA-N 2 1 252.377 3.076 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000423310667 236033646 /nfs/dbraw/zinc/03/36/46/236033646.db2.gz AQGVDLIPVVMTQX-QWHCGFSZSA-N 2 1 285.218 3.308 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423333405 236041837 /nfs/dbraw/zinc/04/18/37/236041837.db2.gz RTKUSROQYKYBHV-RISCZKNCSA-N 2 1 252.377 3.240 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)ccc1F ZINC000423513669 236090799 /nfs/dbraw/zinc/09/07/99/236090799.db2.gz VNXHNRNNLRPHDA-XHDPSFHLSA-N 2 1 280.387 3.002 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)oc2cc1C ZINC000427117604 236322769 /nfs/dbraw/zinc/32/27/69/236322769.db2.gz NKXXRRIUXUZVCB-RHSMWYFYSA-N 2 1 284.403 3.233 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)oc2cc1C ZINC000427117604 236322772 /nfs/dbraw/zinc/32/27/72/236322772.db2.gz NKXXRRIUXUZVCB-RHSMWYFYSA-N 2 1 284.403 3.233 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000479480847 535432599 /nfs/dbraw/zinc/43/25/99/535432599.db2.gz TWOLMTGJKKDTRL-SFHVURJKSA-N 2 1 274.452 3.461 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000296360499 199865955 /nfs/dbraw/zinc/86/59/55/199865955.db2.gz HYUUMEWDPNPTBK-CHWSQXEVSA-N 2 1 275.421 3.166 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000156460927 299289425 /nfs/dbraw/zinc/28/94/25/299289425.db2.gz JHNATZKPEJMTTJ-HOTGVXAUSA-N 2 1 275.440 3.387 20 0 CGADMP Fc1cccc2[nH]c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc21 ZINC000436295744 237073096 /nfs/dbraw/zinc/07/30/96/237073096.db2.gz ZRRDMDXKJHPSCN-GXTWGEPZSA-N 2 1 287.382 3.023 20 0 CGADMP Fc1cccc2[nH]c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000436295744 237073104 /nfs/dbraw/zinc/07/31/04/237073104.db2.gz ZRRDMDXKJHPSCN-GXTWGEPZSA-N 2 1 287.382 3.023 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000177977151 189083068 /nfs/dbraw/zinc/08/30/68/189083068.db2.gz DTTGLJQGDCKNJK-CRAIPNDOSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2ccccc2n1 ZINC000177945140 189081250 /nfs/dbraw/zinc/08/12/50/189081250.db2.gz DOHVNPBIOASQNP-LSDHHAIUSA-N 2 1 295.430 3.370 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2n1 ZINC000177945140 189081251 /nfs/dbraw/zinc/08/12/51/189081251.db2.gz DOHVNPBIOASQNP-LSDHHAIUSA-N 2 1 295.430 3.370 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCCO2 ZINC000178412378 189114273 /nfs/dbraw/zinc/11/42/73/189114273.db2.gz OVEMGWRFGFAXNB-INIZCTEOSA-N 2 1 292.398 3.115 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178699769 189138220 /nfs/dbraw/zinc/13/82/20/189138220.db2.gz VRXHBKCRYBELBB-UONOGXRCSA-N 2 1 287.407 3.187 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000178700681 189138266 /nfs/dbraw/zinc/13/82/66/189138266.db2.gz BNZOTAMPIGOEAV-KBPBESRZSA-N 2 1 299.418 3.113 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC000178698156 189138314 /nfs/dbraw/zinc/13/83/14/189138314.db2.gz ASSTXRDXSIZFIR-DYVFJYSZSA-N 2 1 269.392 3.105 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342147717 216237456 /nfs/dbraw/zinc/23/74/56/216237456.db2.gz UXDSNXLHIIRIRK-RQJABVFESA-N 2 1 291.439 3.092 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342147717 216237458 /nfs/dbraw/zinc/23/74/58/216237458.db2.gz UXDSNXLHIIRIRK-RQJABVFESA-N 2 1 291.439 3.092 20 0 CGADMP C[C@@H](Nc1cc[nH+]cc1Cl)C(C)(C)C[NH+](C)C ZINC000301623535 201101105 /nfs/dbraw/zinc/10/11/05/201101105.db2.gz FNSGLJPJFOJEAE-SNVBAGLBSA-N 2 1 255.793 3.123 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccnc1 ZINC000183187275 189349911 /nfs/dbraw/zinc/34/99/11/189349911.db2.gz CUXZBFIFSQLQPD-HLLBOEOZSA-N 2 1 287.451 3.385 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000342549325 216395361 /nfs/dbraw/zinc/39/53/61/216395361.db2.gz RTMNOOYKLVKCBN-OAHLLOKOSA-N 2 1 283.419 3.492 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000342549325 216395363 /nfs/dbraw/zinc/39/53/63/216395363.db2.gz RTMNOOYKLVKCBN-OAHLLOKOSA-N 2 1 283.419 3.492 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@H](C)Cc3ccoc3)CC2)[nH+]c1 ZINC000449162174 239213097 /nfs/dbraw/zinc/21/30/97/239213097.db2.gz ICLPOKKJLCUPIA-OAHLLOKOSA-N 2 1 299.418 3.173 20 0 CGADMP COCC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000449171590 239220793 /nfs/dbraw/zinc/22/07/93/239220793.db2.gz LBZCTHFCGZOWGQ-ABHNRTSZSA-N 2 1 294.483 3.046 20 0 CGADMP COCC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000449171590 239220798 /nfs/dbraw/zinc/22/07/98/239220798.db2.gz LBZCTHFCGZOWGQ-ABHNRTSZSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450727193 240054429 /nfs/dbraw/zinc/05/44/29/240054429.db2.gz LZUGZSNPSUQEGU-OCCSQVGLSA-N 2 1 286.410 3.274 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000451141002 240227885 /nfs/dbraw/zinc/22/78/85/240227885.db2.gz HASRJIOCFMTVND-WZTLGTBRSA-N 2 1 299.418 3.397 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451988431 240389810 /nfs/dbraw/zinc/38/98/10/240389810.db2.gz ZYKMNYBFTUQYSZ-MRXNPFEDSA-N 2 1 282.497 3.082 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275418828 193029379 /nfs/dbraw/zinc/02/93/79/193029379.db2.gz BTNPNRRXGBUSRM-PKOBYXMFSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275728687 193114976 /nfs/dbraw/zinc/11/49/76/193114976.db2.gz ZQRVRIRQDHQGPO-FUHWJXTLSA-N 2 1 297.446 3.365 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000459340619 242078680 /nfs/dbraw/zinc/07/86/80/242078680.db2.gz NBZCDTCMAMLPER-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459340619 242078684 /nfs/dbraw/zinc/07/86/84/242078684.db2.gz NBZCDTCMAMLPER-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459340619 242078688 /nfs/dbraw/zinc/07/86/88/242078688.db2.gz NBZCDTCMAMLPER-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459341303 242079659 /nfs/dbraw/zinc/07/96/59/242079659.db2.gz JSRYIYFTLMYEDE-QGZVFWFLSA-N 2 1 284.447 3.482 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCc1cncn1C ZINC000459434718 242108307 /nfs/dbraw/zinc/10/83/07/242108307.db2.gz NXCNTNKGSWSPFJ-WBVHZDCISA-N 2 1 283.419 3.231 20 0 CGADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000459357195 242087968 /nfs/dbraw/zinc/08/79/68/242087968.db2.gz ZOPDFFNERQNKDN-INIZCTEOSA-N 2 1 275.371 3.089 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000459746883 242208611 /nfs/dbraw/zinc/20/86/11/242208611.db2.gz ZEBNBJZSYJSISQ-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000459773050 242225012 /nfs/dbraw/zinc/22/50/12/242225012.db2.gz SHEXWLMYBHMVNH-YZGWKJHDSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000459783464 242232241 /nfs/dbraw/zinc/23/22/41/242232241.db2.gz NHADIERZAVMMRM-AEFFLSMTSA-N 2 1 274.452 3.187 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3CC[N@H+](C)[C@H](C)C3)[nH+]c2c1 ZINC000460947787 242288441 /nfs/dbraw/zinc/28/84/41/242288441.db2.gz IHGPBLLXGDCXSH-CABCVRRESA-N 2 1 283.419 3.168 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c2c1 ZINC000460947787 242288443 /nfs/dbraw/zinc/28/84/43/242288443.db2.gz IHGPBLLXGDCXSH-CABCVRRESA-N 2 1 283.419 3.168 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000462821027 242366506 /nfs/dbraw/zinc/36/65/06/242366506.db2.gz ZNJGUMCYEVSMKE-OTWHNJEPSA-N 2 1 284.447 3.335 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482542994 243232886 /nfs/dbraw/zinc/23/28/86/243232886.db2.gz KBTUKGBGMOGPTA-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP C(CCC1CCCC1)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484893503 243323907 /nfs/dbraw/zinc/32/39/07/243323907.db2.gz MNJUYYHOLYMDPI-KURKYZTESA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(O)c1 ZINC000194958013 296126562 /nfs/dbraw/zinc/12/65/62/296126562.db2.gz HHDNSYQRJWILEU-LSDHHAIUSA-N 2 1 276.424 3.307 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000019913122 368781510 /nfs/dbraw/zinc/78/15/10/368781510.db2.gz PBTZAVYPXBRCOX-GJZGRUSLSA-N 2 1 276.424 3.307 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000019913122 368781513 /nfs/dbraw/zinc/78/15/13/368781513.db2.gz PBTZAVYPXBRCOX-GJZGRUSLSA-N 2 1 276.424 3.307 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000034958914 368983452 /nfs/dbraw/zinc/98/34/52/368983452.db2.gz UKWITCBNQOYLFU-MIGBEJBISA-N 2 1 272.436 3.223 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000036996419 369047399 /nfs/dbraw/zinc/04/73/99/369047399.db2.gz BIRAQLCPVXAGPZ-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000036996419 369047405 /nfs/dbraw/zinc/04/74/05/369047405.db2.gz BIRAQLCPVXAGPZ-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1OC ZINC000036995028 369047443 /nfs/dbraw/zinc/04/74/43/369047443.db2.gz JBVUUFCAJXHFCX-MRXNPFEDSA-N 2 1 276.424 3.220 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000035052969 368993847 /nfs/dbraw/zinc/99/38/47/368993847.db2.gz UEAPKNUYPKNAJH-AWEZNQCLSA-N 2 1 276.424 3.220 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649042 369095568 /nfs/dbraw/zinc/09/55/68/369095568.db2.gz UJNXZQAVWSXVMR-RDTXWAMCSA-N 2 1 270.420 3.138 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000037648853 369095590 /nfs/dbraw/zinc/09/55/90/369095590.db2.gz PKMNDOOIMHWOES-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649218 369095744 /nfs/dbraw/zinc/09/57/44/369095744.db2.gz UWYVFQNLABPWIN-GJZGRUSLSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649367 369098219 /nfs/dbraw/zinc/09/82/19/369098219.db2.gz GSGDEQOJOZGGMJ-CHWSQXEVSA-N 2 1 278.827 3.475 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1(C)CC1 ZINC000037901159 369123924 /nfs/dbraw/zinc/12/39/24/369123924.db2.gz LQVUNYIPCMZJEJ-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037777114 369109767 /nfs/dbraw/zinc/10/97/67/369109767.db2.gz XLMALBPJGAAHED-MIGBEJBISA-N 2 1 272.436 3.141 20 0 CGADMP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1(C)CC1 ZINC000040668673 369160800 /nfs/dbraw/zinc/16/08/00/369160800.db2.gz CPZWILSSLSGOFX-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)s1 ZINC000041631552 369193545 /nfs/dbraw/zinc/19/35/45/369193545.db2.gz IFLKQLHFUGUIJI-OLZOCXBDSA-N 2 1 266.454 3.303 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000494927190 244332022 /nfs/dbraw/zinc/33/20/22/244332022.db2.gz YWNTUSFPINDTNZ-BQJWPVKWSA-N 2 1 266.473 3.379 20 0 CGADMP CC[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000495170080 244361820 /nfs/dbraw/zinc/36/18/20/244361820.db2.gz YCOVAHSPGZVJJC-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000495170080 244361824 /nfs/dbraw/zinc/36/18/24/244361824.db2.gz YCOVAHSPGZVJJC-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000495170080 244361826 /nfs/dbraw/zinc/36/18/26/244361826.db2.gz YCOVAHSPGZVJJC-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000495170080 244361831 /nfs/dbraw/zinc/36/18/31/244361831.db2.gz YCOVAHSPGZVJJC-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)c(C)c1)C1CC[NH2+]CC1 ZINC000049669105 369413805 /nfs/dbraw/zinc/41/38/05/369413805.db2.gz OVQXULRNRKWEFH-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2C)CC1 ZINC000050569240 369441522 /nfs/dbraw/zinc/44/15/22/369441522.db2.gz XMVIWIQCZFIKTM-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)[C@H](C)C1 ZINC000127394183 370951760 /nfs/dbraw/zinc/95/17/60/370951760.db2.gz RBCNKFMENYEZCE-ZACQAIPSSA-N 2 1 294.483 3.188 20 0 CGADMP Clc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccn1 ZINC000061022442 369596036 /nfs/dbraw/zinc/59/60/36/369596036.db2.gz JNULBICNEMYBHM-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000062014426 369613871 /nfs/dbraw/zinc/61/38/71/369613871.db2.gz XATLOKMZYIHJEY-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000062014426 369613876 /nfs/dbraw/zinc/61/38/76/369613876.db2.gz XATLOKMZYIHJEY-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000063221611 369645166 /nfs/dbraw/zinc/64/51/66/369645166.db2.gz RMXUDRNGZKRTFV-DOTOQJQBSA-N 2 1 258.409 3.213 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000069680289 369766745 /nfs/dbraw/zinc/76/67/45/369766745.db2.gz HZYDGSGSQOQEPJ-UHFFFAOYSA-N 2 1 272.392 3.410 20 0 CGADMP CCCOc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000069754458 369770926 /nfs/dbraw/zinc/77/09/26/369770926.db2.gz WFKJXZYOWBHWON-UHFFFAOYSA-N 2 1 287.407 3.160 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000069754201 369771189 /nfs/dbraw/zinc/77/11/89/369771189.db2.gz DRSJTIDEAMGYQW-UHFFFAOYSA-N 2 1 271.408 3.297 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079977499 369981137 /nfs/dbraw/zinc/98/11/37/369981137.db2.gz RCNQTLPTEYCNDX-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000090720705 370064547 /nfs/dbraw/zinc/06/45/47/370064547.db2.gz TVMCLYMLGZLLDJ-CMPLNLGQSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000090720705 370064552 /nfs/dbraw/zinc/06/45/52/370064552.db2.gz TVMCLYMLGZLLDJ-CMPLNLGQSA-N 2 1 270.779 3.051 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043404 370089145 /nfs/dbraw/zinc/08/91/45/370089145.db2.gz UQVBHHTUZSSFKN-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043404 370089147 /nfs/dbraw/zinc/08/91/47/370089147.db2.gz UQVBHHTUZSSFKN-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043404 370089152 /nfs/dbraw/zinc/08/91/52/370089152.db2.gz UQVBHHTUZSSFKN-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043195 370089530 /nfs/dbraw/zinc/08/95/30/370089530.db2.gz IGTQYYLVRYTKTJ-PBHICJAKSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043195 370089534 /nfs/dbraw/zinc/08/95/34/370089534.db2.gz IGTQYYLVRYTKTJ-PBHICJAKSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043195 370089537 /nfs/dbraw/zinc/08/95/37/370089537.db2.gz IGTQYYLVRYTKTJ-PBHICJAKSA-N 2 1 284.403 3.349 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093089017 370107972 /nfs/dbraw/zinc/10/79/72/370107972.db2.gz LFHMEIXUWWGGKU-CJNGLKHVSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093089023 370108857 /nfs/dbraw/zinc/10/88/57/370108857.db2.gz LFHMEIXUWWGGKU-XJKSGUPXSA-N 2 1 276.424 3.177 20 0 CGADMP CC(C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095088263 370172437 /nfs/dbraw/zinc/17/24/37/370172437.db2.gz RSFWBDGZLAWATJ-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000093645023 370153845 /nfs/dbraw/zinc/15/38/45/370153845.db2.gz KDPIPAHSPSISRL-UKRRQHHQSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3[nH]ccc32)CC[N@H+]1C ZINC000093645023 370153848 /nfs/dbraw/zinc/15/38/48/370153848.db2.gz KDPIPAHSPSISRL-UKRRQHHQSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3[nH]ccc32)CC[NH+]1C ZINC000093645023 370153852 /nfs/dbraw/zinc/15/38/52/370153852.db2.gz KDPIPAHSPSISRL-UKRRQHHQSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3[nH]ccc32)CC[NH+]1C ZINC000093645023 370153854 /nfs/dbraw/zinc/15/38/54/370153854.db2.gz KDPIPAHSPSISRL-UKRRQHHQSA-N 2 1 271.408 3.082 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000093770393 370158510 /nfs/dbraw/zinc/15/85/10/370158510.db2.gz QCEMFSFFTCFUIX-QIPRVMPFSA-N 2 1 272.436 3.364 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000093770393 370158512 /nfs/dbraw/zinc/15/85/12/370158512.db2.gz QCEMFSFFTCFUIX-QIPRVMPFSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093770393 370158516 /nfs/dbraw/zinc/15/85/16/370158516.db2.gz QCEMFSFFTCFUIX-QIPRVMPFSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093770393 370158520 /nfs/dbraw/zinc/15/85/20/370158520.db2.gz QCEMFSFFTCFUIX-QIPRVMPFSA-N 2 1 272.436 3.364 20 0 CGADMP CCC(CC)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512181385 245023169 /nfs/dbraw/zinc/02/31/69/245023169.db2.gz BKCMBCRVPOGQJD-IYBDPMFKSA-N 2 1 296.499 3.244 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113513386 370476083 /nfs/dbraw/zinc/47/60/83/370476083.db2.gz JJVATWHOYMIZDW-ZDUSSCGKSA-N 2 1 286.341 3.089 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113513386 370476085 /nfs/dbraw/zinc/47/60/85/370476085.db2.gz JJVATWHOYMIZDW-ZDUSSCGKSA-N 2 1 286.341 3.089 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842826 370627984 /nfs/dbraw/zinc/62/79/84/370627984.db2.gz AXTOUFCPOAUCSN-NVXWUHKLSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842826 370627988 /nfs/dbraw/zinc/62/79/88/370627988.db2.gz AXTOUFCPOAUCSN-NVXWUHKLSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842826 370627990 /nfs/dbraw/zinc/62/79/90/370627990.db2.gz AXTOUFCPOAUCSN-NVXWUHKLSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842826 370627996 /nfs/dbraw/zinc/62/79/96/370627996.db2.gz AXTOUFCPOAUCSN-NVXWUHKLSA-N 2 1 260.425 3.411 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000130228257 371019853 /nfs/dbraw/zinc/01/98/53/371019853.db2.gz JNVUHIZFSODWJC-FPMFFAJLSA-N 2 1 250.411 3.026 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000130228257 371019858 /nfs/dbraw/zinc/01/98/58/371019858.db2.gz JNVUHIZFSODWJC-FPMFFAJLSA-N 2 1 250.411 3.026 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000132755806 371198914 /nfs/dbraw/zinc/19/89/14/371198914.db2.gz KJJKHZJBQPXQSX-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000132755806 371198921 /nfs/dbraw/zinc/19/89/21/371198921.db2.gz KJJKHZJBQPXQSX-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000132550306 371183550 /nfs/dbraw/zinc/18/35/50/371183550.db2.gz YBJFFHDGCPRIIO-LZLYRXPVSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000132550306 371183555 /nfs/dbraw/zinc/18/35/55/371183555.db2.gz YBJFFHDGCPRIIO-LZLYRXPVSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132550306 371183559 /nfs/dbraw/zinc/18/35/59/371183559.db2.gz YBJFFHDGCPRIIO-LZLYRXPVSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132550306 371183562 /nfs/dbraw/zinc/18/35/62/371183562.db2.gz YBJFFHDGCPRIIO-LZLYRXPVSA-N 2 1 274.452 3.280 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000133381525 371247258 /nfs/dbraw/zinc/24/72/58/371247258.db2.gz QDBSBCSUEYKHFC-OAHLLOKOSA-N 2 1 260.381 3.238 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2F)[C@H](C)C1 ZINC000133823676 371281421 /nfs/dbraw/zinc/28/14/21/371281421.db2.gz ORFYXWXYRXZIPT-RHSMWYFYSA-N 2 1 292.442 3.423 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000133639346 371269418 /nfs/dbraw/zinc/26/94/18/371269418.db2.gz OKDNIKYVSFDDCV-LALPHHSUSA-N 2 1 298.377 3.106 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000220210522 376207416 /nfs/dbraw/zinc/20/74/16/376207416.db2.gz NYZIITZETPNMBM-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000220362759 376207563 /nfs/dbraw/zinc/20/75/63/376207563.db2.gz MWSQNFIGBUCFNO-HNNXBMFYSA-N 2 1 264.388 3.036 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000151142842 371576169 /nfs/dbraw/zinc/57/61/69/371576169.db2.gz CFTXBVRPQWHBDO-QGZVFWFLSA-N 2 1 288.435 3.146 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000151142842 371576173 /nfs/dbraw/zinc/57/61/73/371576173.db2.gz CFTXBVRPQWHBDO-QGZVFWFLSA-N 2 1 288.435 3.146 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000151480668 371606850 /nfs/dbraw/zinc/60/68/50/371606850.db2.gz RWRZWTWJDAYTSY-CJNGLKHVSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000152009235 371664461 /nfs/dbraw/zinc/66/44/61/371664461.db2.gz JQHNYXOVYJHVLA-CVYDXHPNSA-N 2 1 274.452 3.417 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000421822958 371644281 /nfs/dbraw/zinc/64/42/81/371644281.db2.gz BTQOLDKKWZVHNQ-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000422564154 371753239 /nfs/dbraw/zinc/75/32/39/371753239.db2.gz VOLDZJSFVUPTPI-KSIDHJATSA-N 2 1 272.436 3.095 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000422704312 371758685 /nfs/dbraw/zinc/75/86/85/371758685.db2.gz KIWUDHAVIJPRHG-IUODEOHRSA-N 2 1 280.843 3.348 20 0 CGADMP CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422712982 371763312 /nfs/dbraw/zinc/76/33/12/371763312.db2.gz JGBDMFASXANWMY-IHRRRGAJSA-N 2 1 261.413 3.360 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422716065 371765885 /nfs/dbraw/zinc/76/58/85/371765885.db2.gz TYWZNXDEZDVMOO-BBRMVZONSA-N 2 1 278.415 3.224 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289688234 371794008 /nfs/dbraw/zinc/79/40/08/371794008.db2.gz JWODUPSNEVLLDA-CQSZACIVSA-N 2 1 294.402 3.481 20 0 CGADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1C ZINC000422741541 371778971 /nfs/dbraw/zinc/77/89/71/371778971.db2.gz OTCCGQDZMVVYBC-JKSUJKDBSA-N 2 1 271.408 3.063 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)COC(C)C)c1 ZINC000337341256 214017119 /nfs/dbraw/zinc/01/71/19/214017119.db2.gz QHGRTUCRTYQQSW-OAHLLOKOSA-N 2 1 278.440 3.041 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422771555 371796413 /nfs/dbraw/zinc/79/64/13/371796413.db2.gz VYJPIMDXDNWFAY-ZIAGYGMSSA-N 2 1 269.392 3.257 20 0 CGADMP CC[C@@H]([NH2+]CCc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422785056 371806707 /nfs/dbraw/zinc/80/67/07/371806707.db2.gz QPYIQCFXUQHUBN-CABCVRRESA-N 2 1 266.816 3.003 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc2cc(OC)ccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422799433 371815343 /nfs/dbraw/zinc/81/53/43/371815343.db2.gz WRQSSCDFNOOAOO-MOPGFXCFSA-N 2 1 298.430 3.469 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422837952 371834601 /nfs/dbraw/zinc/83/46/01/371834601.db2.gz NFYOAYWTWREGME-GZBFAFLISA-N 2 1 296.842 3.228 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(Oc2ccccc2)c1 ZINC000422868341 371845291 /nfs/dbraw/zinc/84/52/91/371845291.db2.gz UTJKKVLGKOYVIA-OAHLLOKOSA-N 2 1 296.414 3.485 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422933464 371878242 /nfs/dbraw/zinc/87/82/42/371878242.db2.gz HTKLFEJSDXVYNH-ZIAGYGMSSA-N 2 1 297.240 3.199 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)c[nH]c2c1 ZINC000422848179 371838673 /nfs/dbraw/zinc/83/86/73/371838673.db2.gz SVDSUANZPCYHBY-ZDUSSCGKSA-N 2 1 294.402 3.177 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423052333 371935712 /nfs/dbraw/zinc/93/57/12/371935712.db2.gz QHIIJNUOLKQLLV-WBMJQRKESA-N 2 1 272.392 3.014 20 0 CGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423060477 371939317 /nfs/dbraw/zinc/93/93/17/371939317.db2.gz OMUNGDWXDPEAGX-DLBZAZTESA-N 2 1 289.467 3.281 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290045264 371888416 /nfs/dbraw/zinc/88/84/16/371888416.db2.gz DSHRCUUMDUSJLV-KONPQCLYSA-N 2 1 290.451 3.053 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290045264 371888419 /nfs/dbraw/zinc/88/84/19/371888419.db2.gz DSHRCUUMDUSJLV-KONPQCLYSA-N 2 1 290.451 3.053 20 0 CGADMP C[C@@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)c1c[nH+]ccc1N ZINC000422988021 371903125 /nfs/dbraw/zinc/90/31/25/371903125.db2.gz JXLRARAXIQAONJ-CYBMUJFWSA-N 2 1 299.393 3.307 20 0 CGADMP CC(C)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1F ZINC000423028065 371925096 /nfs/dbraw/zinc/92/50/96/371925096.db2.gz FSKULPLHSRVBNT-BMIGLBTASA-N 2 1 284.806 3.374 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H]1CCCCO1 ZINC000423041548 371930094 /nfs/dbraw/zinc/93/00/94/371930094.db2.gz JKYGNGRYJQVKAG-HPBDAGMYSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423046317 371930909 /nfs/dbraw/zinc/93/09/09/371930909.db2.gz UABKKEOYYCKDAZ-BVGQSLNGSA-N 2 1 288.410 3.349 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCC2)c2ccccc21 ZINC000423114968 371975461 /nfs/dbraw/zinc/97/54/61/371975461.db2.gz WQKOLAFRYQACRD-OLZOCXBDSA-N 2 1 284.325 3.453 20 0 CGADMP Clc1cc2c(s1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423119315 371977369 /nfs/dbraw/zinc/97/73/69/371977369.db2.gz CDPUORFOYSRBJJ-BLRASZIXSA-N 2 1 282.840 3.261 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccsc1 ZINC000290405924 371982525 /nfs/dbraw/zinc/98/25/25/371982525.db2.gz JRNVPQUYPMKONK-UHFFFAOYSA-N 2 1 277.437 3.419 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccsc1 ZINC000290405924 371982530 /nfs/dbraw/zinc/98/25/30/371982530.db2.gz JRNVPQUYPMKONK-UHFFFAOYSA-N 2 1 277.437 3.419 20 0 CGADMP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1(O)CCCC1 ZINC000423170740 372002724 /nfs/dbraw/zinc/00/27/24/372002724.db2.gz YRNIJXZFGQMINV-HOTGVXAUSA-N 2 1 288.435 3.052 20 0 CGADMP Cc1csc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423159312 371996736 /nfs/dbraw/zinc/99/67/36/371996736.db2.gz XVAJXUDCWKZJKW-CZUORRHYSA-N 2 1 274.433 3.105 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423237472 372042266 /nfs/dbraw/zinc/04/22/66/372042266.db2.gz DJKOOKSELDBTNM-GXTWGEPZSA-N 2 1 286.341 3.151 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000423240508 372042306 /nfs/dbraw/zinc/04/23/06/372042306.db2.gz HGYZBEIKMLVVAN-OAHLLOKOSA-N 2 1 260.425 3.086 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423293588 372048170 /nfs/dbraw/zinc/04/81/70/372048170.db2.gz AFYLVBYKJUXKRO-PEYYIBSZSA-N 2 1 264.388 3.166 20 0 CGADMP COc1ccccc1[C@@H]([NH2+]CC(C)(C)[NH3+])C1CCCC1 ZINC000423287307 372048630 /nfs/dbraw/zinc/04/86/30/372048630.db2.gz LJJGAVRYLGRVSQ-INIZCTEOSA-N 2 1 276.424 3.253 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000423310728 372049472 /nfs/dbraw/zinc/04/94/72/372049472.db2.gz AWVBQOKNTWRQKS-GJZGRUSLSA-N 2 1 298.352 3.483 20 0 CGADMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000423173978 372004822 /nfs/dbraw/zinc/00/48/22/372004822.db2.gz AUNOWUPGHKPYBR-QGZVFWFLSA-N 2 1 270.376 3.478 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180645 372008732 /nfs/dbraw/zinc/00/87/32/372008732.db2.gz BKDXUWUMBDVHHL-NXHRZFHOSA-N 2 1 289.467 3.366 20 0 CGADMP [NH3+]CC[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000423180909 372009751 /nfs/dbraw/zinc/00/97/51/372009751.db2.gz KTNAZICUNOGJQF-GOSISDBHSA-N 2 1 268.404 3.299 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183711 372011211 /nfs/dbraw/zinc/01/12/11/372011211.db2.gz GRISMMMFJYOWFP-CQSZACIVSA-N 2 1 289.448 3.282 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1(c2ccccc2)CCCC1 ZINC000423184352 372012522 /nfs/dbraw/zinc/01/25/22/372012522.db2.gz IKTYLDZGRLHRGX-NVXWUHKLSA-N 2 1 272.436 3.229 20 0 CGADMP CSc1ccccc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423504717 372070702 /nfs/dbraw/zinc/07/07/02/372070702.db2.gz GIFMFKGJWCFPBZ-DVOMOZLQSA-N 2 1 278.465 3.386 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCSc2ccccc21)C1CCCC1 ZINC000423533462 372072913 /nfs/dbraw/zinc/07/29/13/372072913.db2.gz TYLJBTNGCWODGD-GJZGRUSLSA-N 2 1 276.449 3.331 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000344336756 217156198 /nfs/dbraw/zinc/15/61/98/217156198.db2.gz VMPICOJVIBFBIZ-LBPRGKRZSA-N 2 1 294.439 3.460 20 0 CGADMP Cc1cc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000429014055 372303477 /nfs/dbraw/zinc/30/34/77/372303477.db2.gz XVAQNXNHRUVZOS-SFHVURJKSA-N 2 1 272.436 3.139 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000429014055 372303482 /nfs/dbraw/zinc/30/34/82/372303482.db2.gz XVAQNXNHRUVZOS-SFHVURJKSA-N 2 1 272.436 3.139 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000429014055 372303490 /nfs/dbraw/zinc/30/34/90/372303490.db2.gz XVAQNXNHRUVZOS-SFHVURJKSA-N 2 1 272.436 3.139 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000430598296 372392438 /nfs/dbraw/zinc/39/24/38/372392438.db2.gz CGYUOYNTQBSCSZ-JYJNAYRXSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000162759958 372417875 /nfs/dbraw/zinc/41/78/75/372417875.db2.gz PAJDKNVDJMBYHN-KRWDZBQOSA-N 2 1 284.407 3.204 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000162759958 372417879 /nfs/dbraw/zinc/41/78/79/372417879.db2.gz PAJDKNVDJMBYHN-KRWDZBQOSA-N 2 1 284.407 3.204 20 0 CGADMP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1cccc(O)c1 ZINC000161967304 372364658 /nfs/dbraw/zinc/36/46/58/372364658.db2.gz UYTBBSRFNVVALI-GOEBONIOSA-N 2 1 276.424 3.259 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1cccc(O)c1 ZINC000161967304 372364667 /nfs/dbraw/zinc/36/46/67/372364667.db2.gz UYTBBSRFNVVALI-GOEBONIOSA-N 2 1 276.424 3.259 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)c1cccc(O)c1 ZINC000161967304 372364672 /nfs/dbraw/zinc/36/46/72/372364672.db2.gz UYTBBSRFNVVALI-GOEBONIOSA-N 2 1 276.424 3.259 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1cccc(O)c1 ZINC000161967304 372364677 /nfs/dbraw/zinc/36/46/77/372364677.db2.gz UYTBBSRFNVVALI-GOEBONIOSA-N 2 1 276.424 3.259 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000162804517 372423163 /nfs/dbraw/zinc/42/31/63/372423163.db2.gz FXLUMGCYEWCWED-DZJNRPSUSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000162804517 372423169 /nfs/dbraw/zinc/42/31/69/372423169.db2.gz FXLUMGCYEWCWED-DZJNRPSUSA-N 2 1 272.436 3.395 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)cc1 ZINC000163025952 372442275 /nfs/dbraw/zinc/44/22/75/372442275.db2.gz ALMHIQGJDRQQKC-YXJHDRRASA-N 2 1 290.451 3.465 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)C)cc1 ZINC000163025952 372442281 /nfs/dbraw/zinc/44/22/81/372442281.db2.gz ALMHIQGJDRQQKC-YXJHDRRASA-N 2 1 290.451 3.465 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000163884932 372498326 /nfs/dbraw/zinc/49/83/26/372498326.db2.gz RSDNGLOXWKNXRT-ZOBUZTSGSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000163884932 372498333 /nfs/dbraw/zinc/49/83/33/372498333.db2.gz RSDNGLOXWKNXRT-ZOBUZTSGSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)C[NH+](C)C ZINC000293905918 372519417 /nfs/dbraw/zinc/51/94/17/372519417.db2.gz ZUMAVDYXZLVOBT-RISCZKNCSA-N 2 1 282.428 3.150 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CC)CCC2)[C@@H](C)C1 ZINC000165315454 372549097 /nfs/dbraw/zinc/54/90/97/372549097.db2.gz UNMQDKYXLIWEHX-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166354166 372572258 /nfs/dbraw/zinc/57/22/58/372572258.db2.gz JWWGYCOAJNVSGD-NXHRZFHOSA-N 2 1 274.452 3.388 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166354166 372572262 /nfs/dbraw/zinc/57/22/62/372572262.db2.gz JWWGYCOAJNVSGD-NXHRZFHOSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Cc1cccs1 ZINC000167477829 372596638 /nfs/dbraw/zinc/59/66/38/372596638.db2.gz USTPAPXFFYJMIB-FQLMCAECSA-N 2 1 280.481 3.245 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@H](C)C3)CCCC2)CC1 ZINC000344522927 217220022 /nfs/dbraw/zinc/22/00/22/217220022.db2.gz LIUVVHUDFFGRKC-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@@H](C)C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435427381 372762484 /nfs/dbraw/zinc/76/24/84/372762484.db2.gz LQGPJTDEEXINQZ-HIFRSBDPSA-N 2 1 295.496 3.299 20 0 CGADMP C[NH2+]CCC[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000435872194 372820758 /nfs/dbraw/zinc/82/07/58/372820758.db2.gz XDDFPFZEIZNDIV-QGZVFWFLSA-N 2 1 276.424 3.222 20 0 CGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)nc1 ZINC000296109848 373025351 /nfs/dbraw/zinc/02/53/51/373025351.db2.gz ZKYMICVUBFYZBX-HLVVYCRESA-N 2 1 279.815 3.011 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)nc1 ZINC000296109848 373025361 /nfs/dbraw/zinc/02/53/61/373025361.db2.gz ZKYMICVUBFYZBX-HLVVYCRESA-N 2 1 279.815 3.011 20 0 CGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccncc1C ZINC000296171299 373042349 /nfs/dbraw/zinc/04/23/49/373042349.db2.gz XFISQCCQNRRSMX-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccncc1C ZINC000296171299 373042369 /nfs/dbraw/zinc/04/23/69/373042369.db2.gz XFISQCCQNRRSMX-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000442776733 373078565 /nfs/dbraw/zinc/07/85/65/373078565.db2.gz HULWSYFGLIEBBI-OLZOCXBDSA-N 2 1 266.454 3.399 20 0 CGADMP C[C@H]1C[C@H](N(C)Cc2coc(-c3ccccc3)n2)CC[N@H+]1C ZINC000173527334 373154439 /nfs/dbraw/zinc/15/44/39/373154439.db2.gz YNLNIWRXOOTVKD-WMLDXEAASA-N 2 1 299.418 3.256 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000353564899 220159355 /nfs/dbraw/zinc/15/93/55/220159355.db2.gz PNEXGPMXOJBYIN-GJZGRUSLSA-N 2 1 278.440 3.033 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000353564899 220159357 /nfs/dbraw/zinc/15/93/57/220159357.db2.gz PNEXGPMXOJBYIN-GJZGRUSLSA-N 2 1 278.440 3.033 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000353565299 220159650 /nfs/dbraw/zinc/15/96/50/220159650.db2.gz BDULEEITWMNHHU-JFIYKMOQSA-N 2 1 289.467 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000353565299 220159653 /nfs/dbraw/zinc/15/96/53/220159653.db2.gz BDULEEITWMNHHU-JFIYKMOQSA-N 2 1 289.467 3.426 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000442932988 373131070 /nfs/dbraw/zinc/13/10/70/373131070.db2.gz ZEUXTTUADQGBDB-OAHLLOKOSA-N 2 1 288.435 3.036 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000173897822 373211856 /nfs/dbraw/zinc/21/18/56/373211856.db2.gz AZQXFGPSVJGZLJ-MRXNPFEDSA-N 2 1 295.430 3.181 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000173897822 373211866 /nfs/dbraw/zinc/21/18/66/373211866.db2.gz AZQXFGPSVJGZLJ-MRXNPFEDSA-N 2 1 295.430 3.181 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC(C)C)cc2)C1 ZINC000173913311 373215422 /nfs/dbraw/zinc/21/54/22/373215422.db2.gz NWQLGPPESDQQQP-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(C)C)cc2)C1 ZINC000173913311 373215426 /nfs/dbraw/zinc/21/54/26/373215426.db2.gz NWQLGPPESDQQQP-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(C)C)cc2)C1 ZINC000173913311 373215430 /nfs/dbraw/zinc/21/54/30/373215430.db2.gz NWQLGPPESDQQQP-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000173913311 373215432 /nfs/dbraw/zinc/21/54/32/373215432.db2.gz NWQLGPPESDQQQP-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000173913311 373215434 /nfs/dbraw/zinc/21/54/34/373215434.db2.gz NWQLGPPESDQQQP-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CC1(C)C ZINC000444646246 373219071 /nfs/dbraw/zinc/21/90/71/373219071.db2.gz RQBVCHDVOTZYJG-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP CCc1ccccc1CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000444664489 373227284 /nfs/dbraw/zinc/22/72/84/373227284.db2.gz MMVIICKAXDMSEU-UHFFFAOYSA-N 2 1 274.452 3.254 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000298441004 373330624 /nfs/dbraw/zinc/33/06/24/373330624.db2.gz NLGLZWXTMBXFJW-ZLPCBKJTSA-N 2 1 272.436 3.038 20 0 CGADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH]1 ZINC000175708964 373505458 /nfs/dbraw/zinc/50/54/58/373505458.db2.gz IMPKUBBRTMNXSX-YQQQUEKLSA-N 2 1 295.430 3.300 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(CCC2)C1 ZINC000448071334 373544983 /nfs/dbraw/zinc/54/49/83/373544983.db2.gz WBJDLGDEASDDQQ-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(CCC2)C1 ZINC000448071334 373544991 /nfs/dbraw/zinc/54/49/91/373544991.db2.gz WBJDLGDEASDDQQ-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](CC[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000300279517 373624295 /nfs/dbraw/zinc/62/42/95/373624295.db2.gz KFKBICDWYAVUGA-WBVHZDCISA-N 2 1 260.425 3.254 20 0 CGADMP C[C@@H]([N@@H+](C)Cc1ccc(-n2ccnc2)cc1)C1(C)CC1 ZINC000177219751 373665830 /nfs/dbraw/zinc/66/58/30/373665830.db2.gz KOTUAQMUARVXEA-CQSZACIVSA-N 2 1 269.392 3.493 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000177931845 373726319 /nfs/dbraw/zinc/72/63/19/373726319.db2.gz QRJNESYVPXJQEM-ZBFHGGJFSA-N 2 1 294.414 3.057 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCSc2ccc(F)cc2)CC[N@H+]1C ZINC000178168897 373751587 /nfs/dbraw/zinc/75/15/87/373751587.db2.gz RCAUDNDZARXIJG-UKRRQHHQSA-N 2 1 296.455 3.380 20 0 CGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1C ZINC000289547640 197398234 /nfs/dbraw/zinc/39/82/34/197398234.db2.gz IIIGIYDISUCYEK-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1C ZINC000289547640 197398236 /nfs/dbraw/zinc/39/82/36/197398236.db2.gz IIIGIYDISUCYEK-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1C ZINC000289547640 197398237 /nfs/dbraw/zinc/39/82/37/197398237.db2.gz IIIGIYDISUCYEK-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP CC[N@H+]1CCCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000301560764 373785475 /nfs/dbraw/zinc/78/54/75/373785475.db2.gz XXJCOYLZWRQNRN-UHFFFAOYSA-N 2 1 269.392 3.075 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000179448968 373874671 /nfs/dbraw/zinc/87/46/71/373874671.db2.gz SQMYGQXIPSQDMI-IUODEOHRSA-N 2 1 266.816 3.475 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000449777562 373907251 /nfs/dbraw/zinc/90/72/51/373907251.db2.gz VKEHSOLNLOJAQA-SJORKVTESA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)Oc1ccc2[nH+]ccc(N3CCC[N@@H+](C)CC3)c2c1 ZINC000450212164 373999932 /nfs/dbraw/zinc/99/99/32/373999932.db2.gz RRNPIMWLENGVEV-UHFFFAOYSA-N 2 1 299.418 3.164 20 0 CGADMP c1cn2c(cccc2C[N@H+]2CCOC3(C2)CCCCCC3)n1 ZINC000180547063 374021173 /nfs/dbraw/zinc/02/11/73/374021173.db2.gz IKTULPCYWPEPDO-UHFFFAOYSA-N 2 1 299.418 3.260 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2nccc3c(OC)cccc32)C1 ZINC000450359497 374080274 /nfs/dbraw/zinc/08/02/74/374080274.db2.gz GVJNYZINQAGAAQ-CQSZACIVSA-N 2 1 299.418 3.021 20 0 CGADMP C[C@@H]1C[C@H](NCc2ccccc2OC2CCC2)CC[N@H+]1C ZINC000180973629 374064396 /nfs/dbraw/zinc/06/43/96/374064396.db2.gz RANDKUXELJBAEM-GDBMZVCRSA-N 2 1 288.435 3.190 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCC2)CCN1C ZINC000180973629 374064400 /nfs/dbraw/zinc/06/44/00/374064400.db2.gz RANDKUXELJBAEM-GDBMZVCRSA-N 2 1 288.435 3.190 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000311109321 374232348 /nfs/dbraw/zinc/23/23/48/374232348.db2.gz WCTVDQAEYCBKOV-QDIHITRGSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CC2CCC1CC2 ZINC000311109316 374232601 /nfs/dbraw/zinc/23/26/01/374232601.db2.gz WCTVDQAEYCBKOV-FJBKBRRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)CC[N@@H+]1C ZINC000310713917 374221386 /nfs/dbraw/zinc/22/13/86/374221386.db2.gz FCRSFEMOWBGZHG-SWLSCSKDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)CC[N@H+]1C ZINC000310713917 374221391 /nfs/dbraw/zinc/22/13/91/374221391.db2.gz FCRSFEMOWBGZHG-SWLSCSKDSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076519518 541912379 /nfs/dbraw/zinc/91/23/79/541912379.db2.gz IYVPXSRWPYDOQP-OAHLLOKOSA-N 2 1 280.843 3.202 20 0 CGADMP C([NH2+][C@H]1CCCC12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000328095159 374361157 /nfs/dbraw/zinc/36/11/57/374361157.db2.gz JNXRYFKUMOHWHQ-ZBFHGGJFSA-N 2 1 262.441 3.173 20 0 CGADMP c1ccc2c(c1)CCC([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000453095952 374364401 /nfs/dbraw/zinc/36/44/01/374364401.db2.gz VLDQAFVQUUGMSI-HNNXBMFYSA-N 2 1 284.447 3.008 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000453124820 374367122 /nfs/dbraw/zinc/36/71/22/374367122.db2.gz UTHUUBRNMPWAAC-DAXOMENPSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC[N@H+]1C ZINC000453124820 374367130 /nfs/dbraw/zinc/36/71/30/374367130.db2.gz UTHUUBRNMPWAAC-DAXOMENPSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCC[C@H](C)[C@@H]1C ZINC000183138543 374377916 /nfs/dbraw/zinc/37/79/16/374377916.db2.gz ZHOJMPPBVXDSDN-YXWQFLTLSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183187291 374382419 /nfs/dbraw/zinc/38/24/19/374382419.db2.gz CUXZBFIFSQLQPD-ZMSDIMECSA-N 2 1 287.451 3.385 20 0 CGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cn1 ZINC000453357091 374445781 /nfs/dbraw/zinc/44/57/81/374445781.db2.gz PMTHXDDSAFJNHJ-UCMJJCQDSA-N 2 1 291.414 3.133 20 0 CGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cn1 ZINC000453357091 374445787 /nfs/dbraw/zinc/44/57/87/374445787.db2.gz PMTHXDDSAFJNHJ-UCMJJCQDSA-N 2 1 291.414 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000453357999 374446349 /nfs/dbraw/zinc/44/63/49/374446349.db2.gz JPTNLYTUIQAJFX-CJNGLKHVSA-N 2 1 292.854 3.487 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000453357999 374446355 /nfs/dbraw/zinc/44/63/55/374446355.db2.gz JPTNLYTUIQAJFX-CJNGLKHVSA-N 2 1 292.854 3.487 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000453376048 374461263 /nfs/dbraw/zinc/46/12/63/374461263.db2.gz PJXLVXJKHLPGCT-LLLHUVSDSA-N 2 1 288.435 3.014 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000453376048 374461269 /nfs/dbraw/zinc/46/12/69/374461269.db2.gz PJXLVXJKHLPGCT-LLLHUVSDSA-N 2 1 288.435 3.014 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCOc2ccccc21)C1CC1 ZINC000453386303 374471353 /nfs/dbraw/zinc/47/13/53/374471353.db2.gz AMEDGRKGYIJBQP-KRWDZBQOSA-N 2 1 288.435 3.364 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000453387195 374473138 /nfs/dbraw/zinc/47/31/38/374473138.db2.gz AYKRUIQJDWEWMI-UHFFFAOYSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000453404144 374473292 /nfs/dbraw/zinc/47/32/92/374473292.db2.gz PAMFONXAIYCQGS-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(CC)C(C)C)[C@H](C)C1 ZINC000453469128 374476568 /nfs/dbraw/zinc/47/65/68/374476568.db2.gz ZQPSKLWTPRILPU-QKPAOTATSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000092471677 541976241 /nfs/dbraw/zinc/97/62/41/541976241.db2.gz SQRPYPUIEXEHBC-INIZCTEOSA-N 2 1 288.435 3.003 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000093455792 541981502 /nfs/dbraw/zinc/98/15/02/541981502.db2.gz CHVKOULJNHSKRZ-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000459794956 374821868 /nfs/dbraw/zinc/82/18/68/374821868.db2.gz VCWFLQAAPVRTOK-IYXRBSQSSA-N 2 1 274.399 3.132 20 0 CGADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC000258863521 572329101 /nfs/dbraw/zinc/32/91/01/572329101.db2.gz IXIQZALESVVTAS-HNNXBMFYSA-N 2 1 260.425 3.025 20 0 CGADMP CCc1ccc(CC[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000464777075 374897239 /nfs/dbraw/zinc/89/72/39/374897239.db2.gz LYUUQTIUQVHYGR-IBGZPJMESA-N 2 1 288.479 3.455 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)c2sccc21 ZINC000334542767 374838766 /nfs/dbraw/zinc/83/87/66/374838766.db2.gz NBULMXOPRZOLEI-RISCZKNCSA-N 2 1 264.438 3.370 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000464782011 374899288 /nfs/dbraw/zinc/89/92/88/374899288.db2.gz UWVGIHYYNYMUEP-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP Cc1ccc2ncc(CN(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000334559158 374857510 /nfs/dbraw/zinc/85/75/10/374857510.db2.gz ADYWGGMRGPCGQK-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cc2c1 ZINC000334559158 374857519 /nfs/dbraw/zinc/85/75/19/374857519.db2.gz ADYWGGMRGPCGQK-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cc2c1 ZINC000334559158 374857523 /nfs/dbraw/zinc/85/75/23/374857523.db2.gz ADYWGGMRGPCGQK-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187166587 374982059 /nfs/dbraw/zinc/98/20/59/374982059.db2.gz OQFDEPQEOYNRNF-LSDHHAIUSA-N 2 1 284.513 3.228 20 0 CGADMP CC[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000472581069 375025685 /nfs/dbraw/zinc/02/56/85/375025685.db2.gz SSRYSMRBOVNDFF-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472581069 375025690 /nfs/dbraw/zinc/02/56/90/375025690.db2.gz SSRYSMRBOVNDFF-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472581069 375025692 /nfs/dbraw/zinc/02/56/92/375025692.db2.gz SSRYSMRBOVNDFF-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000187798036 375097268 /nfs/dbraw/zinc/09/72/68/375097268.db2.gz MSLZGVMXSIEXDT-GZBFAFLISA-N 2 1 293.480 3.012 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccn1 ZINC000187798036 375097273 /nfs/dbraw/zinc/09/72/73/375097273.db2.gz MSLZGVMXSIEXDT-GZBFAFLISA-N 2 1 293.480 3.012 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000479684419 375155299 /nfs/dbraw/zinc/15/52/99/375155299.db2.gz IYHMYDLALTVHHX-IBGZPJMESA-N 2 1 286.463 3.473 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC1CCCCC1 ZINC000483247610 375177905 /nfs/dbraw/zinc/17/79/05/375177905.db2.gz NWHJITPXGCHACU-KZNAEPCWSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000487534155 375248320 /nfs/dbraw/zinc/24/83/20/375248320.db2.gz HFBHRTGHSSBKRB-YZTRRJNXSA-N 2 1 287.451 3.052 20 0 CGADMP C[NH+](C)CCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000188984898 375305093 /nfs/dbraw/zinc/30/50/93/375305093.db2.gz IREVVQULRIURBP-UHFFFAOYSA-N 2 1 294.748 3.400 20 0 CGADMP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000488462834 375309784 /nfs/dbraw/zinc/30/97/84/375309784.db2.gz RMFXYUPSOPHLPQ-SLTAFYQDSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)C1CC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000488462834 375309794 /nfs/dbraw/zinc/30/97/94/375309794.db2.gz RMFXYUPSOPHLPQ-SLTAFYQDSA-N 2 1 250.430 3.028 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000189783513 375445261 /nfs/dbraw/zinc/44/52/61/375445261.db2.gz RNKVAMKCSXPZML-GOSISDBHSA-N 2 1 297.446 3.437 20 0 CGADMP COCC(C)(C)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000494124923 375483957 /nfs/dbraw/zinc/48/39/57/375483957.db2.gz JWHFPUMEFGKSNA-INIZCTEOSA-N 2 1 292.467 3.159 20 0 CGADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000494057565 375484291 /nfs/dbraw/zinc/48/42/91/375484291.db2.gz DACDQVYSVIGNDC-KRWDZBQOSA-N 2 1 296.499 3.293 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cocn2)CC1 ZINC000191975344 375685632 /nfs/dbraw/zinc/68/56/32/375685632.db2.gz LEQTVNHWYBRLDX-UHFFFAOYSA-N 2 1 279.428 3.009 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ncccc2CC)C1 ZINC000507498918 375708717 /nfs/dbraw/zinc/70/87/17/375708717.db2.gz XKEIYQBPBUFZGC-LSDHHAIUSA-N 2 1 275.440 3.027 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ncccc2CC)C1 ZINC000507498918 375708721 /nfs/dbraw/zinc/70/87/21/375708721.db2.gz XKEIYQBPBUFZGC-LSDHHAIUSA-N 2 1 275.440 3.027 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192390747 375743393 /nfs/dbraw/zinc/74/33/93/375743393.db2.gz RAZWQRJOTOOQRD-IUODEOHRSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cccc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192893364 375799663 /nfs/dbraw/zinc/79/96/63/375799663.db2.gz WFXYTWMWFXKXHR-MIGBEJBISA-N 2 1 272.436 3.313 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000192928063 375805006 /nfs/dbraw/zinc/80/50/06/375805006.db2.gz JDNICMWGVAXBIM-RDJZCZTQSA-N 2 1 272.436 3.287 20 0 CGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000336806364 375958184 /nfs/dbraw/zinc/95/81/84/375958184.db2.gz VUVRZDADJGLMLQ-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194934099 376062994 /nfs/dbraw/zinc/06/29/94/376062994.db2.gz NTAVXKNMAGJYKG-JKSUJKDBSA-N 2 1 290.451 3.411 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194934099 376062999 /nfs/dbraw/zinc/06/29/99/376062999.db2.gz NTAVXKNMAGJYKG-JKSUJKDBSA-N 2 1 290.451 3.411 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212816601 376139030 /nfs/dbraw/zinc/13/90/30/376139030.db2.gz HXFVICJSEZLGPM-NWDGAFQWSA-N 2 1 284.806 3.472 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000215971564 376155093 /nfs/dbraw/zinc/15/50/93/376155093.db2.gz YJPLPKFIIHOMHZ-KBPBESRZSA-N 2 1 284.403 3.018 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618593 376182447 /nfs/dbraw/zinc/18/24/47/376182447.db2.gz FGLBEXVFHJFSHC-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618593 376182454 /nfs/dbraw/zinc/18/24/54/376182454.db2.gz FGLBEXVFHJFSHC-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618593 376182462 /nfs/dbraw/zinc/18/24/62/376182462.db2.gz FGLBEXVFHJFSHC-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337510202 376225233 /nfs/dbraw/zinc/22/52/33/376225233.db2.gz INWFFZHPWGRVSJ-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000221950944 376226426 /nfs/dbraw/zinc/22/64/26/376226426.db2.gz MCEMWPAKSYOCDX-WWGRRREGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000538953586 376280183 /nfs/dbraw/zinc/28/01/83/376280183.db2.gz IFTWNCHCPNVTSJ-BPQIPLTHSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000538953586 376280192 /nfs/dbraw/zinc/28/01/92/376280192.db2.gz IFTWNCHCPNVTSJ-BPQIPLTHSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000538953586 376280200 /nfs/dbraw/zinc/28/02/00/376280200.db2.gz IFTWNCHCPNVTSJ-BPQIPLTHSA-N 2 1 278.484 3.476 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000224108359 376271867 /nfs/dbraw/zinc/27/18/67/376271867.db2.gz QUKLLDKILKHNFS-GUTXKFCHSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000224108359 376271877 /nfs/dbraw/zinc/27/18/77/376271877.db2.gz QUKLLDKILKHNFS-GUTXKFCHSA-N 2 1 264.388 3.267 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCC(F)(F)C1 ZINC000338348237 376342481 /nfs/dbraw/zinc/34/24/81/376342481.db2.gz NIGAQCPNECVHKI-CQSZACIVSA-N 2 1 274.399 3.230 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C12CCCC2 ZINC000224589736 376284351 /nfs/dbraw/zinc/28/43/51/376284351.db2.gz GBJUJFGQNBHVAN-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000224995781 376291883 /nfs/dbraw/zinc/29/18/83/376291883.db2.gz MZSKRTNPBCLFFI-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000539226135 376300246 /nfs/dbraw/zinc/30/02/46/376300246.db2.gz LLAOMYSYNGLAGK-CQSZACIVSA-N 2 1 287.407 3.330 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)CC1CC[NH+](C)CC1 ZINC000541773220 376480677 /nfs/dbraw/zinc/48/06/77/376480677.db2.gz SXODPZBHWUWLAT-ARJAWSKDSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C(C)(C)c1cccs1 ZINC000541642122 376471029 /nfs/dbraw/zinc/47/10/29/376471029.db2.gz CMRQZTMGJSDGHV-CYBMUJFWSA-N 2 1 266.454 3.447 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCc3ccccc3C2)C1 ZINC000541986401 376498799 /nfs/dbraw/zinc/49/87/99/376498799.db2.gz PBLOILRTKTZOSC-IRXDYDNUSA-N 2 1 286.463 3.065 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000542486967 376549545 /nfs/dbraw/zinc/54/95/45/376549545.db2.gz XEDMVESTJMZVEF-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000542486967 376549550 /nfs/dbraw/zinc/54/95/50/376549550.db2.gz XEDMVESTJMZVEF-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000542486967 376549553 /nfs/dbraw/zinc/54/95/53/376549553.db2.gz XEDMVESTJMZVEF-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000542486967 376549558 /nfs/dbraw/zinc/54/95/58/376549558.db2.gz XEDMVESTJMZVEF-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000543091498 376605215 /nfs/dbraw/zinc/60/52/15/376605215.db2.gz LXOZJDRPCQBSBB-WBVHZDCISA-N 2 1 292.492 3.487 20 0 CGADMP Oc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000236587685 376666930 /nfs/dbraw/zinc/66/69/30/376666930.db2.gz KPEFKFJXHSQQOG-GOSISDBHSA-N 2 1 288.435 3.235 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070411 376660995 /nfs/dbraw/zinc/66/09/95/376660995.db2.gz NMCLYTFUTQMNPQ-CABCVRRESA-N 2 1 294.439 3.264 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070411 376661005 /nfs/dbraw/zinc/66/10/05/376661005.db2.gz NMCLYTFUTQMNPQ-CABCVRRESA-N 2 1 294.439 3.264 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)Cc2ccsc2)C1 ZINC000544024123 376694903 /nfs/dbraw/zinc/69/49/03/376694903.db2.gz TVIPZLNZBPCXHH-GOEBONIOSA-N 2 1 280.481 3.343 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000544024123 376694907 /nfs/dbraw/zinc/69/49/07/376694907.db2.gz TVIPZLNZBPCXHH-GOEBONIOSA-N 2 1 280.481 3.343 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1 ZINC000245456840 376822512 /nfs/dbraw/zinc/82/25/12/376822512.db2.gz UAGCTYPOPZRZRY-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245456840 376822521 /nfs/dbraw/zinc/82/25/21/376822521.db2.gz UAGCTYPOPZRZRY-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245456840 376822531 /nfs/dbraw/zinc/82/25/31/376822531.db2.gz UAGCTYPOPZRZRY-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245456840 376822540 /nfs/dbraw/zinc/82/25/40/376822540.db2.gz UAGCTYPOPZRZRY-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245456840 376822548 /nfs/dbraw/zinc/82/25/48/376822548.db2.gz UAGCTYPOPZRZRY-ZIAGYGMSSA-N 2 1 264.388 3.160 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000545517668 376827416 /nfs/dbraw/zinc/82/74/16/376827416.db2.gz XARZIBPAABCPDH-OAHLLOKOSA-N 2 1 289.467 3.417 20 0 CGADMP CC[C@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000245547794 376849477 /nfs/dbraw/zinc/84/94/77/376849477.db2.gz XYVVJFWRKMUTBB-HOTGVXAUSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000245547794 376849479 /nfs/dbraw/zinc/84/94/79/376849479.db2.gz XYVVJFWRKMUTBB-HOTGVXAUSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1cccc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000245556120 376853830 /nfs/dbraw/zinc/85/38/30/376853830.db2.gz UEMUIDJGZGYYAS-OALUTQOASA-N 2 1 286.463 3.344 20 0 CGADMP Cc1cccc(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000245556120 376853837 /nfs/dbraw/zinc/85/38/37/376853837.db2.gz UEMUIDJGZGYYAS-OALUTQOASA-N 2 1 286.463 3.344 20 0 CGADMP Cc1cccc(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000245556120 376853845 /nfs/dbraw/zinc/85/38/45/376853845.db2.gz UEMUIDJGZGYYAS-OALUTQOASA-N 2 1 286.463 3.344 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245607442 376866911 /nfs/dbraw/zinc/86/69/11/376866911.db2.gz NMHJHQACLXFWCC-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245607442 376866916 /nfs/dbraw/zinc/86/69/16/376866916.db2.gz NMHJHQACLXFWCC-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245607442 376866928 /nfs/dbraw/zinc/86/69/28/376866928.db2.gz NMHJHQACLXFWCC-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP FCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245643825 376872528 /nfs/dbraw/zinc/87/25/28/376872528.db2.gz BGPAUDCRULZBQI-BJWYYQGGSA-N 2 1 276.399 3.131 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)o1 ZINC000245786064 376907114 /nfs/dbraw/zinc/90/71/14/376907114.db2.gz VFLHHPMNNVMBJQ-CJNGLKHVSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)o1 ZINC000245786064 376907120 /nfs/dbraw/zinc/90/71/20/376907120.db2.gz VFLHHPMNNVMBJQ-CJNGLKHVSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)o1 ZINC000245786064 376907129 /nfs/dbraw/zinc/90/71/29/376907129.db2.gz VFLHHPMNNVMBJQ-CJNGLKHVSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)o1 ZINC000245786064 376907138 /nfs/dbraw/zinc/90/71/38/376907138.db2.gz VFLHHPMNNVMBJQ-CJNGLKHVSA-N 2 1 264.413 3.004 20 0 CGADMP CC(C)C(C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(C)C ZINC000556932642 376908725 /nfs/dbraw/zinc/90/87/25/376908725.db2.gz BJPCXJOAAOARDX-KRWDZBQOSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)C(C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C(C)C ZINC000556932642 376908728 /nfs/dbraw/zinc/90/87/28/376908728.db2.gz BJPCXJOAAOARDX-KRWDZBQOSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)C(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000556932642 376908731 /nfs/dbraw/zinc/90/87/31/376908731.db2.gz BJPCXJOAAOARDX-KRWDZBQOSA-N 2 1 266.473 3.332 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000556933192 376908853 /nfs/dbraw/zinc/90/88/53/376908853.db2.gz JSGFRXGZFSLCOF-RCCFBDPRSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000556933192 376908854 /nfs/dbraw/zinc/90/88/54/376908854.db2.gz JSGFRXGZFSLCOF-RCCFBDPRSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000556933192 376908856 /nfs/dbraw/zinc/90/88/56/376908856.db2.gz JSGFRXGZFSLCOF-RCCFBDPRSA-N 2 1 276.468 3.397 20 0 CGADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245856606 376920305 /nfs/dbraw/zinc/92/03/05/376920305.db2.gz NRBXZJOOYZBHCH-ZOBUZTSGSA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245856606 376920313 /nfs/dbraw/zinc/92/03/13/376920313.db2.gz NRBXZJOOYZBHCH-ZOBUZTSGSA-N 2 1 264.457 3.371 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245856606 376920324 /nfs/dbraw/zinc/92/03/24/376920324.db2.gz NRBXZJOOYZBHCH-ZOBUZTSGSA-N 2 1 264.457 3.371 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857633 376920851 /nfs/dbraw/zinc/92/08/51/376920851.db2.gz NVSGPPWYHJEQSM-HOTGVXAUSA-N 2 1 290.451 3.072 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245917930 376933932 /nfs/dbraw/zinc/93/39/32/376933932.db2.gz FVOURYPDFUAHAK-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558695654 377033205 /nfs/dbraw/zinc/03/32/05/377033205.db2.gz MULQKCVOURPMFD-OLEVXBPZSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558699491 377034362 /nfs/dbraw/zinc/03/43/62/377034362.db2.gz QPGSCAXLIGMWLH-MWDXBVQZSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H]1c1cccc(F)c1 ZINC000246501825 377044092 /nfs/dbraw/zinc/04/40/92/377044092.db2.gz PZYQGYUAWMCZEQ-CXAGYDPISA-N 2 1 276.399 3.208 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000558226699 376986461 /nfs/dbraw/zinc/98/64/61/376986461.db2.gz QXAKSVSGPIYWEW-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000558220322 376986617 /nfs/dbraw/zinc/98/66/17/376986617.db2.gz NUAXHXJWAORYPK-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000558220322 376986620 /nfs/dbraw/zinc/98/66/20/376986620.db2.gz NUAXHXJWAORYPK-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000246275431 377002198 /nfs/dbraw/zinc/00/21/98/377002198.db2.gz BALSRYUZGAUCBB-DAXOMENPSA-N 2 1 296.842 3.100 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000558423147 377006129 /nfs/dbraw/zinc/00/61/29/377006129.db2.gz YHNDXTWUTMTOGT-UHFFFAOYSA-N 2 1 290.436 3.048 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000558423147 377006137 /nfs/dbraw/zinc/00/61/37/377006137.db2.gz YHNDXTWUTMTOGT-UHFFFAOYSA-N 2 1 290.436 3.048 20 0 CGADMP CCc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000558420100 377008143 /nfs/dbraw/zinc/00/81/43/377008143.db2.gz JFZBELOFKJNTLL-PBWFPOADSA-N 2 1 278.465 3.368 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000558420100 377008149 /nfs/dbraw/zinc/00/81/49/377008149.db2.gz JFZBELOFKJNTLL-PBWFPOADSA-N 2 1 278.465 3.368 20 0 CGADMP CCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000558420100 377008157 /nfs/dbraw/zinc/00/81/57/377008157.db2.gz JFZBELOFKJNTLL-PBWFPOADSA-N 2 1 278.465 3.368 20 0 CGADMP CCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000558420100 377008165 /nfs/dbraw/zinc/00/81/65/377008165.db2.gz JFZBELOFKJNTLL-PBWFPOADSA-N 2 1 278.465 3.368 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000246883253 377111857 /nfs/dbraw/zinc/11/18/57/377111857.db2.gz FCAIMNZAQGAHFD-DOMZBBRYSA-N 2 1 294.439 3.294 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000246900723 377115422 /nfs/dbraw/zinc/11/54/22/377115422.db2.gz LKAMFEHDMJCDOT-QBPKDAKJSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000247298125 377189783 /nfs/dbraw/zinc/18/97/83/377189783.db2.gz OPJOSYGZTYTNLC-QKPAOTATSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000247298125 377189787 /nfs/dbraw/zinc/18/97/87/377189787.db2.gz OPJOSYGZTYTNLC-QKPAOTATSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000247298125 377189794 /nfs/dbraw/zinc/18/97/94/377189794.db2.gz OPJOSYGZTYTNLC-QKPAOTATSA-N 2 1 250.430 3.124 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246978792 377131357 /nfs/dbraw/zinc/13/13/57/377131357.db2.gz JXPFRYMYYGXGJP-JKSUJKDBSA-N 2 1 274.452 3.345 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000247018388 377138661 /nfs/dbraw/zinc/13/86/61/377138661.db2.gz LREBMKPSJJHVJK-ZFWWWQNUSA-N 2 1 276.424 3.225 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000247111927 377162113 /nfs/dbraw/zinc/16/21/13/377162113.db2.gz TVMGLSGSOKFOEZ-NYTXWWLZSA-N 2 1 263.429 3.242 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000560525555 377163183 /nfs/dbraw/zinc/16/31/83/377163183.db2.gz QGYMTZBUKXGZIB-KURKYZTESA-N 2 1 272.436 3.211 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000247255789 377185575 /nfs/dbraw/zinc/18/55/75/377185575.db2.gz YQRBXJWLMRNFDO-BFHYXJOUSA-N 2 1 294.414 3.358 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000247253911 377186710 /nfs/dbraw/zinc/18/67/10/377186710.db2.gz XIKSOJAJOUITGD-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000247958198 377246120 /nfs/dbraw/zinc/24/61/20/377246120.db2.gz FWEMJVUVOCALRL-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562019661 377265837 /nfs/dbraw/zinc/26/58/37/377265837.db2.gz NVWZIDSMIWOJMT-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000562519530 377321851 /nfs/dbraw/zinc/32/18/51/377321851.db2.gz WAKDYSOZVPJJIP-ZSHCYNCHSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248153647 377271566 /nfs/dbraw/zinc/27/15/66/377271566.db2.gz RCPSCRBXYDBLCA-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248153647 377271574 /nfs/dbraw/zinc/27/15/74/377271574.db2.gz RCPSCRBXYDBLCA-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248179052 377277949 /nfs/dbraw/zinc/27/79/49/377277949.db2.gz WBUPKVAAZFBCIZ-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248179052 377277952 /nfs/dbraw/zinc/27/79/52/377277952.db2.gz WBUPKVAAZFBCIZ-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248373229 377298406 /nfs/dbraw/zinc/29/84/06/377298406.db2.gz HLBGTFWYCOPNAE-DOTOQJQBSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248373229 377298414 /nfs/dbraw/zinc/29/84/14/377298414.db2.gz HLBGTFWYCOPNAE-DOTOQJQBSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248373229 377298421 /nfs/dbraw/zinc/29/84/21/377298421.db2.gz HLBGTFWYCOPNAE-DOTOQJQBSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000248373465 377298549 /nfs/dbraw/zinc/29/85/49/377298549.db2.gz JDJGZGYEJXBGTH-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000248643163 377373622 /nfs/dbraw/zinc/37/36/22/377373622.db2.gz OZRCJDGEUUYADB-RWMBFGLXSA-N 2 1 282.453 3.280 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249161647 377471839 /nfs/dbraw/zinc/47/18/39/377471839.db2.gz ZYUZDWCXZGYSNX-TXCZRRACSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249161647 377471843 /nfs/dbraw/zinc/47/18/43/377471843.db2.gz ZYUZDWCXZGYSNX-TXCZRRACSA-N 2 1 288.435 3.137 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2SC)C1 ZINC000249656596 377520804 /nfs/dbraw/zinc/52/08/04/377520804.db2.gz ZQSNQOGHTXERFL-KGLIPLIRSA-N 2 1 278.465 3.401 20 0 CGADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312747848 249082777 /nfs/dbraw/zinc/08/27/77/249082777.db2.gz QKKKQALWFVHUPH-VXNVDRBHSA-N 2 1 279.236 3.272 20 0 CGADMP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000315280778 249098264 /nfs/dbraw/zinc/09/82/64/249098264.db2.gz VTNOVBQVGUNVTG-BETUJISGSA-N 2 1 298.352 3.137 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000469860619 249160483 /nfs/dbraw/zinc/16/04/83/249160483.db2.gz GGJQFHJHZWXEPC-GOEBONIOSA-N 2 1 276.424 3.035 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C12CCCC2 ZINC000250506410 377559795 /nfs/dbraw/zinc/55/97/95/377559795.db2.gz MQBXJOMUPJFMGI-BRWVUGGUSA-N 2 1 294.483 3.044 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000469988604 249165113 /nfs/dbraw/zinc/16/51/13/249165113.db2.gz CXELRTBYRQXTJY-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470020531 249165985 /nfs/dbraw/zinc/16/59/85/249165985.db2.gz JDTNUZQAVKUYPG-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CO2 ZINC000514667659 249184686 /nfs/dbraw/zinc/18/46/86/249184686.db2.gz HRIFTAXCDUZHSA-HLLBOEOZSA-N 2 1 288.435 3.329 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000514779228 249188614 /nfs/dbraw/zinc/18/86/14/249188614.db2.gz KGRFVOVONBCINM-NJAFHUGGSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000251307896 377580692 /nfs/dbraw/zinc/58/06/92/377580692.db2.gz JMRREZWSVLPALW-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cs2)cc1 ZINC000516970315 249252381 /nfs/dbraw/zinc/25/23/81/249252381.db2.gz HWRQJSCKPRKLII-STQMWFEESA-N 2 1 289.448 3.334 20 0 CGADMP Clc1cc2c(s1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000517743429 249269884 /nfs/dbraw/zinc/26/98/84/249269884.db2.gz WYVUZHIFKYXZOL-UHFFFAOYSA-N 2 1 284.856 3.149 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000517755391 249270614 /nfs/dbraw/zinc/27/06/14/249270614.db2.gz WPQDZTJIWDCUED-ZDUSSCGKSA-N 2 1 275.371 3.185 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000517755391 249270616 /nfs/dbraw/zinc/27/06/16/249270616.db2.gz WPQDZTJIWDCUED-ZDUSSCGKSA-N 2 1 275.371 3.185 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251705407 377594707 /nfs/dbraw/zinc/59/47/07/377594707.db2.gz JFUMNUVJZAUIFF-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000573931211 377596081 /nfs/dbraw/zinc/59/60/81/377596081.db2.gz NVONYIIZWYBRFB-ABAIWWIYSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000573931211 377596086 /nfs/dbraw/zinc/59/60/86/377596086.db2.gz NVONYIIZWYBRFB-ABAIWWIYSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000251914242 377605457 /nfs/dbraw/zinc/60/54/57/377605457.db2.gz UFGIIYXFMPRHRZ-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000574924475 377725708 /nfs/dbraw/zinc/72/57/08/377725708.db2.gz PCXLBTBUXRBXRN-KGLIPLIRSA-N 2 1 263.429 3.252 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000574924475 377725711 /nfs/dbraw/zinc/72/57/11/377725711.db2.gz PCXLBTBUXRBXRN-KGLIPLIRSA-N 2 1 263.429 3.252 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCC3(C)C)CC2)[nH+]c1 ZINC000342695332 377738237 /nfs/dbraw/zinc/73/82/37/377738237.db2.gz GROOKBKOSGXDGH-OAHLLOKOSA-N 2 1 273.424 3.137 20 0 CGADMP Cc1nc(C(C)(C)[NH2+]CCCn2cc[nH+]c2C)sc1C ZINC000342858754 377841139 /nfs/dbraw/zinc/84/11/39/377841139.db2.gz BZVBIWGVJHRPFO-UHFFFAOYSA-N 2 1 292.452 3.180 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000342951956 377871569 /nfs/dbraw/zinc/87/15/69/377871569.db2.gz NAVUIDNXYYIHPG-UHFFFAOYSA-N 2 1 297.446 3.492 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000261941767 377871739 /nfs/dbraw/zinc/87/17/39/377871739.db2.gz DTEVYZFTAWYMLH-NJAFHUGGSA-N 2 1 272.436 3.112 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000261995787 377876027 /nfs/dbraw/zinc/87/60/27/377876027.db2.gz KSMSPKLZROGWMM-DLBZAZTESA-N 2 1 260.425 3.459 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c2ccccc12 ZINC000262297474 377894051 /nfs/dbraw/zinc/89/40/51/377894051.db2.gz ODSHKCAMKSREOF-HNNXBMFYSA-N 2 1 298.430 3.409 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261714602 377845106 /nfs/dbraw/zinc/84/51/06/377845106.db2.gz FAWGBOBDWASKNQ-IAGOWNOFSA-N 2 1 258.409 3.132 20 0 CGADMP CCc1ccc(C[N@@H+](C[C@]2(C)CC[NH2+]C2)C2CC2)cc1 ZINC000261729318 377847401 /nfs/dbraw/zinc/84/74/01/377847401.db2.gz GZZHOHQRPGEHLE-GOSISDBHSA-N 2 1 272.436 3.213 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]CC1 ZINC000261745867 377850036 /nfs/dbraw/zinc/85/00/36/377850036.db2.gz BURGSDLBKAUOIA-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261805650 377854660 /nfs/dbraw/zinc/85/46/60/377854660.db2.gz OKVJGCFDLTYECU-KRWDZBQOSA-N 2 1 272.392 3.166 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC000262575042 377902200 /nfs/dbraw/zinc/90/22/00/377902200.db2.gz XZTMBVQWDNDDOX-QGTPRVQTSA-N 2 1 296.414 3.018 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3c4ccccc4-c4ccccc43)C[C@H]12 ZINC000262559911 377902277 /nfs/dbraw/zinc/90/22/77/377902277.db2.gz VDBFKJCFYTYPNI-FASAQXTFSA-N 2 1 290.410 3.426 20 0 CGADMP CCCOc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343595502 378034079 /nfs/dbraw/zinc/03/40/79/378034079.db2.gz BLZGSQYONXKVAB-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343595502 378034083 /nfs/dbraw/zinc/03/40/83/378034083.db2.gz BLZGSQYONXKVAB-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CCc1ccc(F)cc1Cl ZINC000578474758 378073381 /nfs/dbraw/zinc/07/33/81/378073381.db2.gz CZGBKUGJIUKKHE-GFCCVEGCSA-N 2 1 286.822 3.342 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CCc1ccc(F)cc1Cl ZINC000578474758 378073385 /nfs/dbraw/zinc/07/33/85/378073385.db2.gz CZGBKUGJIUKKHE-GFCCVEGCSA-N 2 1 286.822 3.342 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nc(C(C)(C)C)cs1 ZINC000579004795 378121220 /nfs/dbraw/zinc/12/12/20/378121220.db2.gz PONISLBJZKONAH-TUAOUCFPSA-N 2 1 281.469 3.361 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000268853479 378132466 /nfs/dbraw/zinc/13/24/66/378132466.db2.gz LAMBJKJMDWNXNZ-HUUCEWRRSA-N 2 1 271.408 3.363 20 0 CGADMP C[N@H+]1CCCC12CCN(Cc1ccc3c(c1)CCC3)CC2 ZINC000343777215 378088546 /nfs/dbraw/zinc/08/85/46/378088546.db2.gz XNYDKKHCWVCTSH-UHFFFAOYSA-N 2 1 284.447 3.236 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)CCC3)CC2 ZINC000343777215 378088550 /nfs/dbraw/zinc/08/85/50/378088550.db2.gz XNYDKKHCWVCTSH-UHFFFAOYSA-N 2 1 284.447 3.236 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](Cc1ccc3c(c1)CCC3)CC2 ZINC000343777215 378088556 /nfs/dbraw/zinc/08/85/56/378088556.db2.gz XNYDKKHCWVCTSH-UHFFFAOYSA-N 2 1 284.447 3.236 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000268697229 378093058 /nfs/dbraw/zinc/09/30/58/378093058.db2.gz CTSLPHWMEOOZDF-VYDXJSESSA-N 2 1 260.425 3.110 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000578761928 378098371 /nfs/dbraw/zinc/09/83/71/378098371.db2.gz UMGCCMTVORARAC-CQSZACIVSA-N 2 1 287.407 3.021 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000268785158 378110852 /nfs/dbraw/zinc/11/08/52/378110852.db2.gz DOWKKJBONQXFML-LLVKDONJSA-N 2 1 295.333 3.144 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000268785162 378111233 /nfs/dbraw/zinc/11/12/33/378111233.db2.gz DPRPKMQBXZJYST-KRWDZBQOSA-N 2 1 299.418 3.312 20 0 CGADMP COc1cccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)c1 ZINC000269134557 378191183 /nfs/dbraw/zinc/19/11/83/378191183.db2.gz OZZZTXHPHOCPSV-GOSISDBHSA-N 2 1 299.418 3.427 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)c1 ZINC000269134557 378191187 /nfs/dbraw/zinc/19/11/87/378191187.db2.gz OZZZTXHPHOCPSV-GOSISDBHSA-N 2 1 299.418 3.427 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000579819927 378197727 /nfs/dbraw/zinc/19/77/27/378197727.db2.gz FEICBHAAAGGUOH-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000579819927 378197733 /nfs/dbraw/zinc/19/77/33/378197733.db2.gz FEICBHAAAGGUOH-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000268943244 378159165 /nfs/dbraw/zinc/15/91/65/378159165.db2.gz VZXWVAZGKFWBAS-VMUDFCTBSA-N 2 1 278.415 3.248 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269031494 378177283 /nfs/dbraw/zinc/17/72/83/378177283.db2.gz DSHRCUUMDUSJLV-LISAXSMJSA-N 2 1 290.451 3.053 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269031494 378177285 /nfs/dbraw/zinc/17/72/85/378177285.db2.gz DSHRCUUMDUSJLV-LISAXSMJSA-N 2 1 290.451 3.053 20 0 CGADMP CCC(CC)[N@H+](CCCc1c[nH+]cn1C)CC(C)C ZINC000582309144 378303804 /nfs/dbraw/zinc/30/38/04/378303804.db2.gz PBPBLDXUNWEAPY-UHFFFAOYSA-N 2 1 265.445 3.499 20 0 CGADMP CCC(CC)[N@@H+](CCCc1c[nH+]cn1C)CC(C)C ZINC000582309144 378303805 /nfs/dbraw/zinc/30/38/05/378303805.db2.gz PBPBLDXUNWEAPY-UHFFFAOYSA-N 2 1 265.445 3.499 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(F)cc1 ZINC000270798656 378400822 /nfs/dbraw/zinc/40/08/22/378400822.db2.gz DZGGSLWSMKUVLU-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(F)cc1 ZINC000270798656 378400827 /nfs/dbraw/zinc/40/08/27/378400827.db2.gz DZGGSLWSMKUVLU-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1OC ZINC000565811048 322091909 /nfs/dbraw/zinc/09/19/09/322091909.db2.gz SJRVEJQKGKETGQ-XHSDSOJGSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000271181940 378474522 /nfs/dbraw/zinc/47/45/22/378474522.db2.gz JYPXWINZXPKQQX-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271181940 378474527 /nfs/dbraw/zinc/47/45/27/378474527.db2.gz JYPXWINZXPKQQX-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271181940 378474532 /nfs/dbraw/zinc/47/45/32/378474532.db2.gz JYPXWINZXPKQQX-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000346165709 378486390 /nfs/dbraw/zinc/48/63/90/378486390.db2.gz IRUBTGGWCBFZKD-KGLIPLIRSA-N 2 1 284.407 3.054 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000271564562 378497267 /nfs/dbraw/zinc/49/72/67/378497267.db2.gz ONVQMNRGAURCAA-CQSZACIVSA-N 2 1 273.424 3.058 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000346197129 378500824 /nfs/dbraw/zinc/50/08/24/378500824.db2.gz DSLPJKVORQVVRN-OKILXGFUSA-N 2 1 284.407 3.054 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCSC1 ZINC000346213360 378507217 /nfs/dbraw/zinc/50/72/17/378507217.db2.gz QSMMTDSQVUQQJV-INIZCTEOSA-N 2 1 292.492 3.240 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000272226120 378590047 /nfs/dbraw/zinc/59/00/47/378590047.db2.gz GUTPCOGCVYGQJI-UHFFFAOYSA-N 2 1 297.324 3.131 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000272226120 378590058 /nfs/dbraw/zinc/59/00/58/378590058.db2.gz GUTPCOGCVYGQJI-UHFFFAOYSA-N 2 1 297.324 3.131 20 0 CGADMP CCC1(CC)CCC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC000346495808 378595644 /nfs/dbraw/zinc/59/56/44/378595644.db2.gz SXFPPOXHBFHIEB-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP CCC1(CC)CCC[N@@H+](CCn2cc[nH+]c2C)CC1 ZINC000346495808 378595650 /nfs/dbraw/zinc/59/56/50/378595650.db2.gz SXFPPOXHBFHIEB-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP COC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000346530043 378606505 /nfs/dbraw/zinc/60/65/05/378606505.db2.gz QMWUBDIWTWVQDN-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)oc2cc1C ZINC000346652550 378663081 /nfs/dbraw/zinc/66/30/81/378663081.db2.gz HKUOYGAXRMMAJB-KBPBESRZSA-N 2 1 272.392 3.219 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000346655220 378664307 /nfs/dbraw/zinc/66/43/07/378664307.db2.gz FQYRZMXKSCPNSI-APHBUQMISA-N 2 1 264.388 3.144 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346677827 378673371 /nfs/dbraw/zinc/67/33/71/378673371.db2.gz LREPEBPZDHRRLS-QWHCGFSZSA-N 2 1 272.392 3.164 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000346688271 378674313 /nfs/dbraw/zinc/67/43/13/378674313.db2.gz XOOJEEUYOUCVAE-OLZOCXBDSA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000346688271 378674322 /nfs/dbraw/zinc/67/43/22/378674322.db2.gz XOOJEEUYOUCVAE-OLZOCXBDSA-N 2 1 298.377 3.074 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000346690203 378676788 /nfs/dbraw/zinc/67/67/88/378676788.db2.gz STZSNEMBVGINJP-MNOVXSKESA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000346690203 378676795 /nfs/dbraw/zinc/67/67/95/378676795.db2.gz STZSNEMBVGINJP-MNOVXSKESA-N 2 1 293.461 3.041 20 0 CGADMP CS[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272706182 378691754 /nfs/dbraw/zinc/69/17/54/378691754.db2.gz BSBXAAAFMFMVQH-INMHGKMJSA-N 2 1 292.492 3.238 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000347959700 378739917 /nfs/dbraw/zinc/73/99/17/378739917.db2.gz MIIXXRIXMWAUCS-UONOGXRCSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000566416363 322121552 /nfs/dbraw/zinc/12/15/52/322121552.db2.gz LEDXQDVHKCHBQD-AAEUAGOBSA-N 2 1 289.345 3.016 20 0 CGADMP c1ccc(SC[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346975586 378701484 /nfs/dbraw/zinc/70/14/84/378701484.db2.gz JLXZTLCDIAKUBQ-CVEARBPZSA-N 2 1 290.476 3.100 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3n2C)C1 ZINC000638127169 378711389 /nfs/dbraw/zinc/71/13/89/378711389.db2.gz GWJALQKBFRSADR-MRXNPFEDSA-N 2 1 299.462 3.342 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3n2C)C1 ZINC000638127169 378711395 /nfs/dbraw/zinc/71/13/95/378711395.db2.gz GWJALQKBFRSADR-MRXNPFEDSA-N 2 1 299.462 3.342 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC000638127169 378711397 /nfs/dbraw/zinc/71/13/97/378711397.db2.gz GWJALQKBFRSADR-MRXNPFEDSA-N 2 1 299.462 3.342 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC000638127169 378711403 /nfs/dbraw/zinc/71/14/03/378711403.db2.gz GWJALQKBFRSADR-MRXNPFEDSA-N 2 1 299.462 3.342 20 0 CGADMP Cc1csc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)n1 ZINC000348107428 378794475 /nfs/dbraw/zinc/79/44/75/378794475.db2.gz IAFFLPMBJLPYKW-GFCCVEGCSA-N 2 1 278.425 3.087 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000348118069 378799216 /nfs/dbraw/zinc/79/92/16/378799216.db2.gz DZOQTSACVHQHCW-VHDGCEQUSA-N 2 1 263.429 3.242 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000274578696 378853712 /nfs/dbraw/zinc/85/37/12/378853712.db2.gz KKILUCAFMFYWKL-GFCCVEGCSA-N 2 1 294.464 3.424 20 0 CGADMP C[N@H+](CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000348240500 378857208 /nfs/dbraw/zinc/85/72/08/378857208.db2.gz ICULADVAOZXLQU-WMZOPIPTSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000348240500 378857213 /nfs/dbraw/zinc/85/72/13/378857213.db2.gz ICULADVAOZXLQU-WMZOPIPTSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C)c1cncs1)[NH+]1CCCCC1 ZINC000346861338 218040468 /nfs/dbraw/zinc/04/04/68/218040468.db2.gz KBQUJRJBNZWDPM-OLZOCXBDSA-N 2 1 267.442 3.058 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)CC[N@@H+]1C ZINC000638706636 378883119 /nfs/dbraw/zinc/88/31/19/378883119.db2.gz HJZFUOQHDNIEBO-GUYCJALGSA-N 2 1 262.441 3.482 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)CC[N@H+]1C ZINC000638706636 378883121 /nfs/dbraw/zinc/88/31/21/378883121.db2.gz HJZFUOQHDNIEBO-GUYCJALGSA-N 2 1 262.441 3.482 20 0 CGADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000638839038 378931210 /nfs/dbraw/zinc/93/12/10/378931210.db2.gz VJSBUZRZAYFXNV-NVXWUHKLSA-N 2 1 262.441 3.363 20 0 CGADMP c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)sn1 ZINC000638850314 378936266 /nfs/dbraw/zinc/93/62/66/378936266.db2.gz LPZCCMOTMXTYLR-UHFFFAOYSA-N 2 1 287.432 3.029 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000347024292 218097262 /nfs/dbraw/zinc/09/72/62/218097262.db2.gz QRCXRWWQPDTBQG-AAMVCFQGSA-N 2 1 280.362 3.037 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000347024292 218097264 /nfs/dbraw/zinc/09/72/64/218097264.db2.gz QRCXRWWQPDTBQG-AAMVCFQGSA-N 2 1 280.362 3.037 20 0 CGADMP CC(C)c1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276718854 378984782 /nfs/dbraw/zinc/98/47/82/378984782.db2.gz WNAYGIJWQLYVBF-AWEZNQCLSA-N 2 1 271.408 3.437 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(C)c1OC(F)F ZINC000347110680 218124094 /nfs/dbraw/zinc/12/40/94/218124094.db2.gz PQSLQXRRLPZSGL-CYBMUJFWSA-N 2 1 298.377 3.076 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000347113295 218126086 /nfs/dbraw/zinc/12/60/86/218126086.db2.gz RSSNFVCMPLZEKF-SJPCQFCGSA-N 2 1 288.435 3.027 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000347111864 218126108 /nfs/dbraw/zinc/12/61/08/218126108.db2.gz QCQYUCVOKBMFPV-GFCCVEGCSA-N 2 1 290.407 3.335 20 0 CGADMP COc1cc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1C ZINC000639081901 379006634 /nfs/dbraw/zinc/00/66/34/379006634.db2.gz WCPCZGKDMPXYAF-HOTGVXAUSA-N 2 1 290.451 3.257 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Nc2ccccc2)C1 ZINC000370394389 379015007 /nfs/dbraw/zinc/01/50/07/379015007.db2.gz JZGDPFIRUQRLBA-QZTJIDSGSA-N 2 1 287.451 3.047 20 0 CGADMP Cc1cccc(CN2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000370653247 379045704 /nfs/dbraw/zinc/04/57/04/379045704.db2.gz XQKMDTLFZFSTIC-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000370653247 379045711 /nfs/dbraw/zinc/04/57/11/379045711.db2.gz XQKMDTLFZFSTIC-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000370653247 379045720 /nfs/dbraw/zinc/04/57/20/379045720.db2.gz XQKMDTLFZFSTIC-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353683888 220256361 /nfs/dbraw/zinc/25/63/61/220256361.db2.gz GKGUQCPMXUIHMA-BEAPCOKYSA-N 2 1 293.480 3.017 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC000277096854 379067575 /nfs/dbraw/zinc/06/75/75/379067575.db2.gz GGRVJNZIMFSGTN-SFHVURJKSA-N 2 1 274.452 3.425 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCSC1 ZINC000289467645 197362819 /nfs/dbraw/zinc/36/28/19/197362819.db2.gz PCEXEGDJWRNRKQ-QGZVFWFLSA-N 2 1 292.492 3.323 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000277301029 379124148 /nfs/dbraw/zinc/12/41/48/379124148.db2.gz UFBLCKJBXZFFRC-WBVHZDCISA-N 2 1 276.399 3.229 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000277301029 379124154 /nfs/dbraw/zinc/12/41/54/379124154.db2.gz UFBLCKJBXZFFRC-WBVHZDCISA-N 2 1 276.399 3.229 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000347450766 218238886 /nfs/dbraw/zinc/23/88/86/218238886.db2.gz AVXNLGWIZZHTLR-UHFFFAOYSA-N 2 1 254.805 3.114 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000347450766 218238889 /nfs/dbraw/zinc/23/88/89/218238889.db2.gz AVXNLGWIZZHTLR-UHFFFAOYSA-N 2 1 254.805 3.114 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1C ZINC000349015714 379134624 /nfs/dbraw/zinc/13/46/24/379134624.db2.gz YZPINVAIXCFYPV-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCC2)C3)cc1 ZINC000278803825 194162128 /nfs/dbraw/zinc/16/21/28/194162128.db2.gz RIUJZKOEOMNHRL-BCDXTJNWSA-N 2 1 270.420 3.324 20 0 CGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277601304 379197568 /nfs/dbraw/zinc/19/75/68/379197568.db2.gz VRCMSCTXNXLBKO-WBVHZDCISA-N 2 1 290.451 3.215 20 0 CGADMP CCc1cccc(F)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000349366154 379252483 /nfs/dbraw/zinc/25/24/83/379252483.db2.gz JCSAFZYSVUVLQI-UHFFFAOYSA-N 2 1 289.398 3.415 20 0 CGADMP CCc1cccc(F)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000349366154 379252495 /nfs/dbraw/zinc/25/24/95/379252495.db2.gz JCSAFZYSVUVLQI-UHFFFAOYSA-N 2 1 289.398 3.415 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000639374545 379329013 /nfs/dbraw/zinc/32/90/13/379329013.db2.gz GLEPSBSXOKVTTO-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222443355 572428634 /nfs/dbraw/zinc/42/86/34/572428634.db2.gz MYGBZKCTBZOMBC-XQQFMLRXSA-N 2 1 280.378 3.427 20 0 CGADMP c1cc2cccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2[nH]1 ZINC000349870710 379432038 /nfs/dbraw/zinc/43/20/38/379432038.db2.gz CJEOOOUDFKZDNI-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP Cn1ccnc1[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000374346847 379426762 /nfs/dbraw/zinc/42/67/62/379426762.db2.gz AFPIVYWNTXBOEY-LLVKDONJSA-N 2 1 284.388 3.024 20 0 CGADMP c1cc(N2CCC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc[nH+]1 ZINC000639684566 379544911 /nfs/dbraw/zinc/54/49/11/379544911.db2.gz WPETYMLNFIFDEQ-IXDOHACOSA-N 2 1 285.435 3.030 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000376739797 379598081 /nfs/dbraw/zinc/59/80/81/379598081.db2.gz MKXURZYYZABLRU-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4ccccc4n3)C2)CC1 ZINC000639757275 379572777 /nfs/dbraw/zinc/57/27/77/379572777.db2.gz DQOJSLFZUCTVDA-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000280291683 379667515 /nfs/dbraw/zinc/66/75/15/379667515.db2.gz FFIJLNPPZUUPEC-QGZVFWFLSA-N 2 1 283.419 3.298 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000280291683 379667521 /nfs/dbraw/zinc/66/75/21/379667521.db2.gz FFIJLNPPZUUPEC-QGZVFWFLSA-N 2 1 283.419 3.298 20 0 CGADMP CCCC[C@@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000352411607 379801256 /nfs/dbraw/zinc/80/12/56/379801256.db2.gz YOJHFOPOPGPOPT-CQSZACIVSA-N 2 1 251.418 3.482 20 0 CGADMP CCCC[C@@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000352411607 379801265 /nfs/dbraw/zinc/80/12/65/379801265.db2.gz YOJHFOPOPGPOPT-CQSZACIVSA-N 2 1 251.418 3.482 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000280706499 379769305 /nfs/dbraw/zinc/76/93/05/379769305.db2.gz CYHKUDGYXUUZDK-KQVLKZGSSA-N 2 1 290.426 3.390 20 0 CGADMP Fc1ccc2oc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000352546118 379853156 /nfs/dbraw/zinc/85/31/56/379853156.db2.gz PRWOGNGAOBDQJQ-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2oc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000352546118 379853165 /nfs/dbraw/zinc/85/31/65/379853165.db2.gz PRWOGNGAOBDQJQ-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Cc1ccccc1 ZINC000379480787 379861340 /nfs/dbraw/zinc/86/13/40/379861340.db2.gz VFOGFSWISFBYFN-RCCFBDPRSA-N 2 1 272.436 3.287 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000382124906 379871631 /nfs/dbraw/zinc/87/16/31/379871631.db2.gz NLAWLBFAVFFNIE-OCCSQVGLSA-N 2 1 252.427 3.131 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000388461227 379888340 /nfs/dbraw/zinc/88/83/40/379888340.db2.gz BCSRYLBKXNYHLV-YESZJQIVSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000388461227 379888343 /nfs/dbraw/zinc/88/83/43/379888343.db2.gz BCSRYLBKXNYHLV-YESZJQIVSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)oc1C ZINC000282348727 379902567 /nfs/dbraw/zinc/90/25/67/379902567.db2.gz VRTMZCQWWUMKIZ-AEGPPILISA-N 2 1 264.413 3.420 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749094 379939015 /nfs/dbraw/zinc/93/90/15/379939015.db2.gz LONSPOFFEQAEIZ-NWDGAFQWSA-N 2 1 269.458 3.119 20 0 CGADMP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352777471 379954667 /nfs/dbraw/zinc/95/46/67/379954667.db2.gz BTQVGVQTFDGYPZ-RYUDHWBXSA-N 2 1 281.469 3.119 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000401492021 379957014 /nfs/dbraw/zinc/95/70/14/379957014.db2.gz YSHVORCGDGALQE-ZJIFWQFVSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401749380 379958238 /nfs/dbraw/zinc/95/82/38/379958238.db2.gz MITWTGLLUPZFLU-BMFZPTHFSA-N 2 1 263.429 3.013 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc2c(s1)CCCC2 ZINC000401781496 379958751 /nfs/dbraw/zinc/95/87/51/379958751.db2.gz QIEZSCIPYSVDBH-LBPRGKRZSA-N 2 1 289.448 3.254 20 0 CGADMP CCc1ccc([C@@H](CC)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401889859 379959297 /nfs/dbraw/zinc/95/92/97/379959297.db2.gz WQRWSVXCCKRHGG-QGZVFWFLSA-N 2 1 271.408 3.266 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000401831151 379959452 /nfs/dbraw/zinc/95/94/52/379959452.db2.gz GDLXHKZEGNGDRG-SECBINFHSA-N 2 1 269.801 3.028 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000352838911 379995354 /nfs/dbraw/zinc/99/53/54/379995354.db2.gz HBXVVLCCRVFVSW-NEPJUHHUSA-N 2 1 282.478 3.186 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000352838911 379995362 /nfs/dbraw/zinc/99/53/62/379995362.db2.gz HBXVVLCCRVFVSW-NEPJUHHUSA-N 2 1 282.478 3.186 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cnccc2C)C[C@H]1C ZINC000347871913 218384576 /nfs/dbraw/zinc/38/45/76/218384576.db2.gz TUOOCDNSJAECJS-SJLPKXTDSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cnccc2C)C[C@H]1C ZINC000347871913 218384578 /nfs/dbraw/zinc/38/45/78/218384578.db2.gz TUOOCDNSJAECJS-SJLPKXTDSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cnccc2C)C[C@H]1C ZINC000347871913 218384581 /nfs/dbraw/zinc/38/45/81/218384581.db2.gz TUOOCDNSJAECJS-SJLPKXTDSA-N 2 1 289.467 3.127 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283461889 380065539 /nfs/dbraw/zinc/06/55/39/380065539.db2.gz VNZZYHRNDAZGHR-LAQRGFTBSA-N 2 1 295.430 3.227 20 0 CGADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921419 380038974 /nfs/dbraw/zinc/03/89/74/380038974.db2.gz IJRNTEUDBFLPGS-AQDBYXPISA-N 2 1 294.483 3.139 20 0 CGADMP C[C@H]1CCCC[C@@H]1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921419 380038980 /nfs/dbraw/zinc/03/89/80/380038980.db2.gz IJRNTEUDBFLPGS-AQDBYXPISA-N 2 1 294.483 3.139 20 0 CGADMP C[C@H]1CCCC[C@@H]1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921419 380038986 /nfs/dbraw/zinc/03/89/86/380038986.db2.gz IJRNTEUDBFLPGS-AQDBYXPISA-N 2 1 294.483 3.139 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4occc4c3)CC[C@@H]21 ZINC000347914785 218397664 /nfs/dbraw/zinc/39/76/64/218397664.db2.gz PDBSWAFMCIFCNN-IRXDYDNUSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4occc4c3)CC[C@@H]21 ZINC000347914785 218397668 /nfs/dbraw/zinc/39/76/68/218397668.db2.gz PDBSWAFMCIFCNN-IRXDYDNUSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4occc4c3)CC[C@@H]21 ZINC000347914785 218397671 /nfs/dbraw/zinc/39/76/71/218397671.db2.gz PDBSWAFMCIFCNN-IRXDYDNUSA-N 2 1 284.403 3.349 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000641799061 380111764 /nfs/dbraw/zinc/11/17/64/380111764.db2.gz MMDUEKSMYXZHLF-OAHLLOKOSA-N 2 1 299.418 3.211 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000414082994 380189675 /nfs/dbraw/zinc/18/96/75/380189675.db2.gz WONFLGVRJAVRCQ-WBAXXEDZSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000414082994 380189679 /nfs/dbraw/zinc/18/96/79/380189679.db2.gz WONFLGVRJAVRCQ-WBAXXEDZSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](C)CC(C)C ZINC000348038692 218434138 /nfs/dbraw/zinc/43/41/38/218434138.db2.gz IWYWAEUVSGLNFB-AWEZNQCLSA-N 2 1 251.418 3.244 20 0 CGADMP CCCc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000643493368 380318776 /nfs/dbraw/zinc/31/87/76/380318776.db2.gz KYEHGFAFXPUWQQ-HRCADAONSA-N 2 1 291.439 3.028 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502954 380326300 /nfs/dbraw/zinc/32/63/00/380326300.db2.gz VYHQSRLPNDDNAG-ZFWWWQNUSA-N 2 1 272.392 3.096 20 0 CGADMP Clc1ccccc1C[C@@H]([NH2+]CC[NH2+]C1CC1)C1CC1 ZINC000643507746 380330054 /nfs/dbraw/zinc/33/00/54/380330054.db2.gz OFNNIIWJGPXYNY-MRXNPFEDSA-N 2 1 278.827 3.003 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3cnccc3c2)C[C@@H]1C[NH3+] ZINC000643427669 380305190 /nfs/dbraw/zinc/30/51/90/380305190.db2.gz VFMAQCGAHWAKDQ-GLJUWKHASA-N 2 1 283.419 3.040 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@H](C)C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643468367 380314696 /nfs/dbraw/zinc/31/46/96/380314696.db2.gz WUKGMKLOIXLGDM-VHSSKADRSA-N 2 1 288.435 3.124 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414672145 380363603 /nfs/dbraw/zinc/36/36/03/380363603.db2.gz ACXBZMWHRBSHMU-DAYGRLMNSA-N 2 1 288.435 3.220 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548606 380364995 /nfs/dbraw/zinc/36/49/95/380364995.db2.gz RUFZAHIJUXOCRR-VXGBXAGGSA-N 2 1 280.437 3.082 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000414677736 380367793 /nfs/dbraw/zinc/36/77/93/380367793.db2.gz JMAWTSVAPUEHTK-CHWSQXEVSA-N 2 1 252.427 3.258 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000414677736 380367803 /nfs/dbraw/zinc/36/78/03/380367803.db2.gz JMAWTSVAPUEHTK-CHWSQXEVSA-N 2 1 252.427 3.258 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682624 380370563 /nfs/dbraw/zinc/37/05/63/380370563.db2.gz YRUUORMOVRZLIN-AGIUHOORSA-N 2 1 282.378 3.346 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)CC[NH2+]1 ZINC000414700337 380380445 /nfs/dbraw/zinc/38/04/45/380380445.db2.gz JNMAKDSKZJQZKU-KYJSFNMBSA-N 2 1 290.426 3.221 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414707366 380381784 /nfs/dbraw/zinc/38/17/84/380381784.db2.gz HSBAUFWLZCTSGF-SFHVURJKSA-N 3 1 297.531 3.194 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCCCc2ccccc2)CC[NH2+]1 ZINC000414709082 380383126 /nfs/dbraw/zinc/38/31/26/380383126.db2.gz QWOFTNBKRMGETI-WMZOPIPTSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000414727181 380387596 /nfs/dbraw/zinc/38/75/96/380387596.db2.gz AOAKAKNMVFZLHC-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP CCCC[C@H](CC)CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414771696 380396944 /nfs/dbraw/zinc/39/69/44/380396944.db2.gz AGYOJMUBPWJVPU-IRXDYDNUSA-N 2 1 296.499 3.280 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2c(F)cccc2F)C2CC2)CC[NH2+]1 ZINC000414741714 380390517 /nfs/dbraw/zinc/39/05/17/380390517.db2.gz FOZABRIVPJIANK-CHWSQXEVSA-N 2 1 294.389 3.317 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000643886014 380391198 /nfs/dbraw/zinc/39/11/98/380391198.db2.gz GZGWREHCQNKUKO-UHFFFAOYSA-N 2 1 271.408 3.130 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-c2cccs2)cc1 ZINC000643528348 380344935 /nfs/dbraw/zinc/34/49/35/380344935.db2.gz HJSPFGIJXXXQKE-NWDGAFQWSA-N 2 1 260.406 3.413 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000643528074 380345266 /nfs/dbraw/zinc/34/52/66/380345266.db2.gz YQTXSIDBELFMGA-FZMZJTMJSA-N 2 1 299.256 3.473 20 0 CGADMP Cc1ccc(CCC[NH2+]CC2([NH+](C)C)CCCCC2)cn1 ZINC000354162137 380349824 /nfs/dbraw/zinc/34/98/24/380349824.db2.gz JANSJDYFPTTYNP-UHFFFAOYSA-N 2 1 289.467 3.177 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000354178744 380355200 /nfs/dbraw/zinc/35/52/00/380355200.db2.gz XSEQJKVTXUYICK-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000354178744 380355205 /nfs/dbraw/zinc/35/52/05/380355205.db2.gz XSEQJKVTXUYICK-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000354178744 380355214 /nfs/dbraw/zinc/35/52/14/380355214.db2.gz XSEQJKVTXUYICK-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000643545908 380358123 /nfs/dbraw/zinc/35/81/23/380358123.db2.gz FKXCNRLHRDWXDX-CHWSQXEVSA-N 2 1 262.397 3.167 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414666742 380360207 /nfs/dbraw/zinc/36/02/07/380360207.db2.gz GVKGMGMFLSHBMH-YOEHRIQHSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414670313 380361696 /nfs/dbraw/zinc/36/16/96/380361696.db2.gz CYLAKOBGAYFBPC-FRRDWIJNSA-N 2 1 282.378 3.346 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)oc2ccccc21 ZINC000414814628 380425902 /nfs/dbraw/zinc/42/59/02/380425902.db2.gz VSEXICJRKAVKIG-UHFFFAOYSA-N 2 1 260.381 3.348 20 0 CGADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(F)cc2)CCCCC1 ZINC000414836029 380444345 /nfs/dbraw/zinc/44/43/45/380444345.db2.gz FCBMVVBOMYTYFW-SNAWJCMRSA-N 2 1 262.372 3.090 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414843364 380449682 /nfs/dbraw/zinc/44/96/82/380449682.db2.gz BTYIXPLOOVAKDM-GHMZBOCLSA-N 2 1 287.234 3.471 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774643 380398356 /nfs/dbraw/zinc/39/83/56/380398356.db2.gz FOALQLOLNXWIKD-LSDHHAIUSA-N 2 1 278.827 3.162 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414776809 380398631 /nfs/dbraw/zinc/39/86/31/380398631.db2.gz HTRDNIONMJLONP-HOCLYGCPSA-N 2 1 292.854 3.470 20 0 CGADMP Fc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777894 380401144 /nfs/dbraw/zinc/40/11/44/380401144.db2.gz IOJWFNXUNARZTR-QWHCGFSZSA-N 2 1 296.817 3.301 20 0 CGADMP Clc1sccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782788 380402379 /nfs/dbraw/zinc/40/23/79/380402379.db2.gz OVPPUXPVKBYXTH-RYUDHWBXSA-N 2 1 284.856 3.223 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414792111 380406375 /nfs/dbraw/zinc/40/63/75/380406375.db2.gz IPKCSJIPNGGGOS-LBPRGKRZSA-N 2 1 261.196 3.066 20 0 CGADMP CC(C)(C)c1cnc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414795767 380411045 /nfs/dbraw/zinc/41/10/45/380411045.db2.gz HDMTWGQTOIFKEU-RYUDHWBXSA-N 2 1 281.469 3.048 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(OCCC)c1 ZINC000414806348 380418822 /nfs/dbraw/zinc/41/88/22/380418822.db2.gz BNNUEYPKICEMEP-OAHLLOKOSA-N 2 1 264.413 3.083 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)c(-c2cccs2)c1)C1CC1 ZINC000414809102 380420500 /nfs/dbraw/zinc/42/05/00/380420500.db2.gz TYBHFBUIQHMKCK-OAHLLOKOSA-N 2 1 290.407 3.381 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000415059111 380507770 /nfs/dbraw/zinc/50/77/70/380507770.db2.gz WPDKCPRJHBCSBC-RBUKOAKNSA-N 2 1 284.447 3.139 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccnn2-c2ccccc2)CCCCCC1 ZINC000414860011 380460718 /nfs/dbraw/zinc/46/07/18/380460718.db2.gz OAJLRNSDFIDONE-UHFFFAOYSA-N 2 1 298.434 3.014 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(OC(F)F)c2)CCCCCC1 ZINC000414863963 380463097 /nfs/dbraw/zinc/46/30/97/380463097.db2.gz YHZXEUMEOJDQRG-UHFFFAOYSA-N 2 1 298.377 3.429 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000414875809 380469788 /nfs/dbraw/zinc/46/97/88/380469788.db2.gz JWEWHIXCIVMIPL-QZTJIDSGSA-N 2 1 287.451 3.120 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414876896 380470700 /nfs/dbraw/zinc/47/07/00/380470700.db2.gz WSXHSZIPPIQXMP-HZPDHXFCSA-N 2 1 264.388 3.051 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000414886227 380474255 /nfs/dbraw/zinc/47/42/55/380474255.db2.gz VPZXMWPBHCSFLG-ZWKOTPCHSA-N 2 1 287.451 3.120 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@H](c2ccccc2)C1 ZINC000414895766 380477810 /nfs/dbraw/zinc/47/78/10/380477810.db2.gz ZJWWMSPBJYCGCV-XOYOTBSWSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417330761 380594377 /nfs/dbraw/zinc/59/43/77/380594377.db2.gz VMLVTRBCOPNASE-BFJAYTPKSA-N 2 1 290.476 3.314 20 0 CGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1 ZINC000355542492 380705704 /nfs/dbraw/zinc/70/57/04/380705704.db2.gz FBTSMHSXRXLEBA-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000355542492 380705710 /nfs/dbraw/zinc/70/57/10/380705710.db2.gz FBTSMHSXRXLEBA-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000355542492 380705715 /nfs/dbraw/zinc/70/57/15/380705715.db2.gz FBTSMHSXRXLEBA-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420303363 380844466 /nfs/dbraw/zinc/84/44/66/380844466.db2.gz NCFNPPWIVUENOD-QRQLOZEOSA-N 2 1 286.463 3.329 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000421389148 380933462 /nfs/dbraw/zinc/93/34/62/380933462.db2.gz WTNMUTWJFWFSFN-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000421389148 380933474 /nfs/dbraw/zinc/93/34/74/380933474.db2.gz WTNMUTWJFWFSFN-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000421389148 380933486 /nfs/dbraw/zinc/93/34/86/380933486.db2.gz WTNMUTWJFWFSFN-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000357021979 380991474 /nfs/dbraw/zinc/99/14/74/380991474.db2.gz JBCYCSPWDXOGML-AWEZNQCLSA-N 2 1 269.392 3.493 20 0 CGADMP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2cc(F)ccc2[nH+]1 ZINC000357533043 381198439 /nfs/dbraw/zinc/19/84/39/381198439.db2.gz PKXCSVNJCWNDRZ-TZMCWYRMSA-N 2 1 299.393 3.141 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc(OC)c2)C1 ZINC000360242568 381493973 /nfs/dbraw/zinc/49/39/73/381493973.db2.gz PIWOBGAXGYRJTD-MAUKXSAKSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000360856920 381629747 /nfs/dbraw/zinc/62/97/47/381629747.db2.gz IHFUGQXDDHDPLJ-GXTWGEPZSA-N 2 1 264.413 3.223 20 0 CGADMP CC[N@H+]1CCC[C@@H](CNCc2cc(F)cc(Cl)c2)C1 ZINC000362506189 382024126 /nfs/dbraw/zinc/02/41/26/382024126.db2.gz QKFLNTRHLMDOLY-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362506189 382024142 /nfs/dbraw/zinc/02/41/42/382024142.db2.gz QKFLNTRHLMDOLY-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000365868571 382297666 /nfs/dbraw/zinc/29/76/66/382297666.db2.gz BPZWOGUZFJYTLL-SJORKVTESA-N 2 1 296.524 3.183 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCC12CCOCC2)CC(C)C ZINC000368521506 382375001 /nfs/dbraw/zinc/37/50/01/382375001.db2.gz GFXMZABQMDJERJ-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252109442 542348348 /nfs/dbraw/zinc/34/83/48/542348348.db2.gz HODKBWUAIDWBKG-IXIBIKRGSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423432380 532994207 /nfs/dbraw/zinc/99/42/07/532994207.db2.gz BIJIBWPBZUSYOE-VGMNWLOBSA-N 2 1 261.196 3.380 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000280884491 195015238 /nfs/dbraw/zinc/01/52/38/195015238.db2.gz PMTJPXUTWUEELP-MWQQHZPXSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000280884491 195015241 /nfs/dbraw/zinc/01/52/41/195015241.db2.gz PMTJPXUTWUEELP-MWQQHZPXSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1ccccc1F ZINC000281009259 195066651 /nfs/dbraw/zinc/06/66/51/195066651.db2.gz OBYVEKRKCKTDAH-CKEIUWERSA-N 2 1 278.415 3.077 20 0 CGADMP COCC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000124561424 285162682 /nfs/dbraw/zinc/16/26/82/285162682.db2.gz RVHYTVFKVPBLRR-JKSUJKDBSA-N 2 1 290.451 3.227 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000449108117 533174722 /nfs/dbraw/zinc/17/47/22/533174722.db2.gz PTOQMBQECQXZGB-CQSZACIVSA-N 2 1 286.419 3.278 20 0 CGADMP C/C=C\C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309724575 542425974 /nfs/dbraw/zinc/42/59/74/542425974.db2.gz PDYGBRBGTKPYTC-NSWPXQNRSA-N 2 1 258.409 3.063 20 0 CGADMP FC(F)c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000335011186 542463762 /nfs/dbraw/zinc/46/37/62/542463762.db2.gz UOAJJFRHXSFGSP-MRXNPFEDSA-N 2 1 280.362 3.200 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000335011186 542463766 /nfs/dbraw/zinc/46/37/66/542463766.db2.gz UOAJJFRHXSFGSP-MRXNPFEDSA-N 2 1 280.362 3.200 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000348121894 542516808 /nfs/dbraw/zinc/51/68/08/542516808.db2.gz JLPJGKRUNXLNKX-QZTJIDSGSA-N 2 1 272.436 3.417 20 0 CGADMP COCC[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357011807 542574082 /nfs/dbraw/zinc/57/40/82/542574082.db2.gz JTGVVLXKYUWLHJ-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265353 533291443 /nfs/dbraw/zinc/29/14/43/533291443.db2.gz QVGBPRKDBAUPPY-ROUUACIJSA-N 2 1 288.435 3.180 20 0 CGADMP COc1ccc2cc([C@@H](C)[NH2+][C@H](C[NH3+])C3CC3)ccc2c1 ZINC000423285841 533336167 /nfs/dbraw/zinc/33/61/67/533336167.db2.gz YVRQZAZACJYMJY-KZULUSFZSA-N 2 1 284.403 3.236 20 0 CGADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000366428978 533330023 /nfs/dbraw/zinc/33/00/23/533330023.db2.gz FSMQPECVJCQHAL-NVPAJSRCSA-N 2 1 276.399 3.493 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]CCCn1cc[nH+]c1C ZINC000263833409 533392037 /nfs/dbraw/zinc/39/20/37/533392037.db2.gz WFGUIWOKVUDIQD-SQFISAMPSA-N 2 1 269.392 3.275 20 0 CGADMP COc1c(C)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000365470673 533398015 /nfs/dbraw/zinc/39/80/15/533398015.db2.gz XFIVZLVYDNMENB-QGZVFWFLSA-N 2 1 290.451 3.228 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000365470673 533398020 /nfs/dbraw/zinc/39/80/20/533398020.db2.gz XFIVZLVYDNMENB-QGZVFWFLSA-N 2 1 290.451 3.228 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2ccccc2s1 ZINC000423275916 533508974 /nfs/dbraw/zinc/50/89/74/533508974.db2.gz MHYSWTQWAOAMIH-MFKMUULPSA-N 2 1 260.406 3.289 20 0 CGADMP CSCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915804 533579881 /nfs/dbraw/zinc/57/98/81/533579881.db2.gz RKPIMAVXRQFABG-WBVHZDCISA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915804 533579882 /nfs/dbraw/zinc/57/98/82/533579882.db2.gz RKPIMAVXRQFABG-WBVHZDCISA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915804 533579887 /nfs/dbraw/zinc/57/98/87/533579887.db2.gz RKPIMAVXRQFABG-WBVHZDCISA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915804 533579892 /nfs/dbraw/zinc/57/98/92/533579892.db2.gz RKPIMAVXRQFABG-WBVHZDCISA-N 2 1 292.492 3.334 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)F ZINC000423400163 533546589 /nfs/dbraw/zinc/54/65/89/533546589.db2.gz WMCCTPUIBZJLQG-UTUOFQBUSA-N 2 1 284.350 3.079 20 0 CGADMP C[C@@H](CC[NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000415063714 533611608 /nfs/dbraw/zinc/61/16/08/533611608.db2.gz IWQSCXHYQHSCNX-WMLDXEAASA-N 2 1 260.425 3.287 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378921777 542593190 /nfs/dbraw/zinc/59/31/90/542593190.db2.gz PUKUUNSTTNPQEE-RDGPPVDQSA-N 2 1 284.447 3.287 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000385728637 542602339 /nfs/dbraw/zinc/60/23/39/542602339.db2.gz XNWAIJIHSQSWLR-WMZOPIPTSA-N 2 1 288.435 3.035 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383312949 542600455 /nfs/dbraw/zinc/60/04/55/542600455.db2.gz QJIZDEWNILQIIK-UAGQMJEPSA-N 2 1 276.399 3.338 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cocn2)CC1 ZINC000191939960 130334905 /nfs/dbraw/zinc/33/49/05/130334905.db2.gz CJHFMWQADHMHNI-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cocn2)CC1 ZINC000191939960 130334907 /nfs/dbraw/zinc/33/49/07/130334907.db2.gz CJHFMWQADHMHNI-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCC[NH3+] ZINC000414750893 542638194 /nfs/dbraw/zinc/63/81/94/542638194.db2.gz ZBTNUPNFSPBOKJ-ZDUSSCGKSA-N 2 1 299.256 3.051 20 0 CGADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCC[NH3+] ZINC000414750892 542638473 /nfs/dbraw/zinc/63/84/73/542638473.db2.gz ZBTNUPNFSPBOKJ-CYBMUJFWSA-N 2 1 299.256 3.051 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414699004 542638793 /nfs/dbraw/zinc/63/87/93/542638793.db2.gz DROVBBDCEUNSSH-RISCZKNCSA-N 2 1 286.341 3.437 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000414924739 542641256 /nfs/dbraw/zinc/64/12/56/542641256.db2.gz KNCLOGAMOZYMGR-VHSXEESVSA-N 2 1 273.207 3.353 20 0 CGADMP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCC[NH3+])C1 ZINC000414699209 542638341 /nfs/dbraw/zinc/63/83/41/542638341.db2.gz DMZMKOSJILFZSU-SMDDNHRTSA-N 2 1 286.341 3.437 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649321 391982427 /nfs/dbraw/zinc/98/24/27/391982427.db2.gz JKIIKXASMVTAQT-HUUCEWRRSA-N 2 1 258.409 3.130 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC000066152361 392151974 /nfs/dbraw/zinc/15/19/74/392151974.db2.gz KLCBZRIYWUFELJ-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC000066152361 392151976 /nfs/dbraw/zinc/15/19/76/392151976.db2.gz KLCBZRIYWUFELJ-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CC(C)CC[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000428281569 542651220 /nfs/dbraw/zinc/65/12/20/542651220.db2.gz ANQUOIXJTPITDC-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000071116922 392188134 /nfs/dbraw/zinc/18/81/34/392188134.db2.gz VDKFNOUQLWBCBU-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)(C)C ZINC000089594404 392227777 /nfs/dbraw/zinc/22/77/77/392227777.db2.gz YAYJMQMUXUYPSO-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000090234584 392229013 /nfs/dbraw/zinc/22/90/13/392229013.db2.gz JURMZCLMZVZVLJ-KFWWJZLASA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000092797665 392232668 /nfs/dbraw/zinc/23/26/68/392232668.db2.gz XGUYGCYPRBEGMD-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000092797665 392232671 /nfs/dbraw/zinc/23/26/71/392232671.db2.gz XGUYGCYPRBEGMD-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000092797665 392232673 /nfs/dbraw/zinc/23/26/73/392232673.db2.gz XGUYGCYPRBEGMD-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC000105442763 392289847 /nfs/dbraw/zinc/28/98/47/392289847.db2.gz VMOBSXDWIXLTHQ-LBPRGKRZSA-N 2 1 275.371 3.065 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC1(C)CCC1 ZINC000434761050 542655494 /nfs/dbraw/zinc/65/54/94/542655494.db2.gz VBVQAOPBEIYNKK-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H](CC[N@@H+](C)CCC1CC1)[NH+](C)CCC1CC1 ZINC000441224982 542664934 /nfs/dbraw/zinc/66/49/34/542664934.db2.gz GBPUJTXAHAQIPK-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+](C)CCC1CC1)[N@H+](C)CCC1CC1 ZINC000441224982 542664940 /nfs/dbraw/zinc/66/49/40/542664940.db2.gz GBPUJTXAHAQIPK-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+](C)CCC1CC1)[N@@H+](C)CCC1CC1 ZINC000441224982 542664945 /nfs/dbraw/zinc/66/49/45/542664945.db2.gz GBPUJTXAHAQIPK-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000245632605 131087120 /nfs/dbraw/zinc/08/71/20/131087120.db2.gz QNZDXYGMSZGIPD-QZTJIDSGSA-N 2 1 287.451 3.047 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000249381186 131121221 /nfs/dbraw/zinc/12/12/21/131121221.db2.gz RMYFFALFEKTQJE-KGLIPLIRSA-N 2 1 278.465 3.401 20 0 CGADMP c1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250811112 131127228 /nfs/dbraw/zinc/12/72/28/131127228.db2.gz LHLRPZVXQHIYDB-IKJBURDNSA-N 2 1 270.420 3.149 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674869 131136318 /nfs/dbraw/zinc/13/63/18/131136318.db2.gz UZOWCGVAFVXFBE-IRXDYDNUSA-N 2 1 288.435 3.190 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000362031389 392391512 /nfs/dbraw/zinc/39/15/12/392391512.db2.gz ZZEAVTYGJYBFFW-UKRRQHHQSA-N 2 1 278.465 3.147 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000153445556 392517170 /nfs/dbraw/zinc/51/71/70/392517170.db2.gz HPJGYNZZYWVEIH-KXBFYZLASA-N 2 1 295.430 3.178 20 0 CGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000293751442 392526980 /nfs/dbraw/zinc/52/69/80/392526980.db2.gz QIVKZTRLOJDDSY-VDHUWJSZSA-N 2 1 288.410 3.288 20 0 CGADMP CC(C)(C)SCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367252092 392473841 /nfs/dbraw/zinc/47/38/41/392473841.db2.gz KZOBWYSEYDPSNW-HOCLYGCPSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367252092 392473847 /nfs/dbraw/zinc/47/38/47/392473847.db2.gz KZOBWYSEYDPSNW-HOCLYGCPSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367252092 392473851 /nfs/dbraw/zinc/47/38/51/392473851.db2.gz KZOBWYSEYDPSNW-HOCLYGCPSA-N 2 1 296.524 3.467 20 0 CGADMP CC(C)(C)SCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367252092 392473858 /nfs/dbraw/zinc/47/38/58/392473858.db2.gz KZOBWYSEYDPSNW-HOCLYGCPSA-N 2 1 296.524 3.467 20 0 CGADMP Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2[nH+]1 ZINC000292356781 392503781 /nfs/dbraw/zinc/50/37/81/392503781.db2.gz RATXHANFORHADK-SFHVURJKSA-N 2 1 281.403 3.075 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000161879176 392588380 /nfs/dbraw/zinc/58/83/80/392588380.db2.gz XWYRQYUQTYMVLA-HOCLYGCPSA-N 2 1 293.430 3.383 20 0 CGADMP CCc1cc(N2CCC[N@H+](CC)CC2)c2ccccc2[nH+]1 ZINC000301765981 392598247 /nfs/dbraw/zinc/59/82/47/392598247.db2.gz BJMOUJXLCGYHOO-UHFFFAOYSA-N 2 1 283.419 3.329 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000371680793 392546253 /nfs/dbraw/zinc/54/62/53/392546253.db2.gz LYWICQNMMUNJHI-UHFFFAOYSA-N 2 1 290.838 3.438 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344613 392694958 /nfs/dbraw/zinc/69/49/58/392694958.db2.gz VJBHSUIEAIAJFS-RANZSIQMSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000311082248 392660125 /nfs/dbraw/zinc/66/01/25/392660125.db2.gz NVPLEWLPPZCKPX-NWDGAFQWSA-N 2 1 268.367 3.426 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000311082248 392660129 /nfs/dbraw/zinc/66/01/29/392660129.db2.gz NVPLEWLPPZCKPX-NWDGAFQWSA-N 2 1 268.367 3.426 20 0 CGADMP CCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506477744 392726447 /nfs/dbraw/zinc/72/64/47/392726447.db2.gz CCMOBYMIRSNQJC-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506477744 392726454 /nfs/dbraw/zinc/72/64/54/392726454.db2.gz CCMOBYMIRSNQJC-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506477744 392726462 /nfs/dbraw/zinc/72/64/62/392726462.db2.gz CCMOBYMIRSNQJC-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000507505204 392735125 /nfs/dbraw/zinc/73/51/25/392735125.db2.gz CSFOVMUGVBMANI-MRXNPFEDSA-N 2 1 289.467 3.417 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647479320 392735364 /nfs/dbraw/zinc/73/53/64/392735364.db2.gz CBWJVBURKATOEM-VJANTYMQSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc(OCCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482415 392737365 /nfs/dbraw/zinc/73/73/65/392737365.db2.gz DFGKPSHOJHMONN-UHFFFAOYSA-N 2 1 288.435 3.062 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496573 392740804 /nfs/dbraw/zinc/74/08/04/392740804.db2.gz YZYYTCZRDSXNCX-HUUCEWRRSA-N 2 1 260.425 3.023 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1[NH3+] ZINC000647497413 392740941 /nfs/dbraw/zinc/74/09/41/392740941.db2.gz GTMQNZCGVAHNLT-FUHWJXTLSA-N 2 1 288.435 3.035 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H](C)CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000647499106 392742173 /nfs/dbraw/zinc/74/21/73/392742173.db2.gz ZNPBSZWFGRNXRQ-JQHSSLGASA-N 2 1 274.452 3.315 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC[C@@H]1[NH3+] ZINC000647498191 392743061 /nfs/dbraw/zinc/74/30/61/392743061.db2.gz CMCCJYFZMAGDSH-ABAIWWIYSA-N 2 1 276.355 3.131 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647937316 392839948 /nfs/dbraw/zinc/83/99/48/392839948.db2.gz VTMCJWJNGAECFT-HFBAOOFYSA-N 2 1 282.378 3.475 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647937316 392839952 /nfs/dbraw/zinc/83/99/52/392839952.db2.gz VTMCJWJNGAECFT-HFBAOOFYSA-N 2 1 282.378 3.475 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647813482 392808656 /nfs/dbraw/zinc/80/86/56/392808656.db2.gz VDHZONJHPYHYQB-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647813482 392808664 /nfs/dbraw/zinc/80/86/64/392808664.db2.gz VDHZONJHPYHYQB-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000510698951 392810218 /nfs/dbraw/zinc/81/02/18/392810218.db2.gz ANHNYXKMLSDCTR-BZUAXINKSA-N 2 1 270.436 3.226 20 0 CGADMP c1csc(C[NH+](Cc2cccs2)C[C@H]2CC[NH2+]C2)c1 ZINC000647872636 392818665 /nfs/dbraw/zinc/81/86/65/392818665.db2.gz LCHIUSBHUYYTAI-ZDUSSCGKSA-N 2 1 292.473 3.421 20 0 CGADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647875488 392820569 /nfs/dbraw/zinc/82/05/69/392820569.db2.gz DSMNISVGJRTESI-NWDGAFQWSA-N 2 1 286.341 3.308 20 0 CGADMP c1ccc([C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000647874653 392821222 /nfs/dbraw/zinc/82/12/22/392821222.db2.gz JUKXDZDLLNBYKC-UZLBHIALSA-N 2 1 292.426 3.244 20 0 CGADMP c1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000647879589 392822276 /nfs/dbraw/zinc/82/22/76/392822276.db2.gz VPHUYJMYDKKTHR-QGZVFWFLSA-N 2 1 272.436 3.431 20 0 CGADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647880964 392822486 /nfs/dbraw/zinc/82/24/86/392822486.db2.gz JGNLRJXXNANOFJ-MRXNPFEDSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000647886741 392826421 /nfs/dbraw/zinc/82/64/21/392826421.db2.gz PFHYGXGRYYWJHD-ZDUSSCGKSA-N 2 1 276.399 3.135 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000647889404 392826903 /nfs/dbraw/zinc/82/69/03/392826903.db2.gz NIOBKUWNPXBZRT-JKSUJKDBSA-N 2 1 282.497 3.126 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193139943 392871358 /nfs/dbraw/zinc/87/13/58/392871358.db2.gz KFDOHVJDAYPWGW-RDJZCZTQSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000340445244 392973512 /nfs/dbraw/zinc/97/35/12/392973512.db2.gz QFQPSCXFCFNDOS-VDHUWJSZSA-N 2 1 272.436 3.253 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCCC1 ZINC000462796426 392968937 /nfs/dbraw/zinc/96/89/37/392968937.db2.gz PCZRDWIKEKLVRV-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCCOC(F)F)C[C@H]1c1ccccc1 ZINC000340385604 392972219 /nfs/dbraw/zinc/97/22/19/392972219.db2.gz XCYLGDMRDTZUJA-GJZGRUSLSA-N 2 1 298.377 3.041 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)C[C@H]1c1ccccc1 ZINC000340385604 392972225 /nfs/dbraw/zinc/97/22/25/392972225.db2.gz XCYLGDMRDTZUJA-GJZGRUSLSA-N 2 1 298.377 3.041 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000648424189 393010218 /nfs/dbraw/zinc/01/02/18/393010218.db2.gz CUDWIILSQUQYKQ-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000648424251 393012538 /nfs/dbraw/zinc/01/25/38/393012538.db2.gz NNNLCNMUVLCJFN-OTWHNJEPSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000648424251 393012544 /nfs/dbraw/zinc/01/25/44/393012544.db2.gz NNNLCNMUVLCJFN-OTWHNJEPSA-N 2 1 284.447 3.150 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248156655 393083845 /nfs/dbraw/zinc/08/38/45/393083845.db2.gz RKQRDFQHVOYMEA-GJZGRUSLSA-N 2 1 296.480 3.026 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC23CCC(CC2)C3)C1 ZINC000347740915 393108338 /nfs/dbraw/zinc/10/83/38/393108338.db2.gz VLYCHIYDHHIHEA-AQFXKWCLSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000347740915 393108342 /nfs/dbraw/zinc/10/83/42/393108342.db2.gz VLYCHIYDHHIHEA-AQFXKWCLSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000347740915 393108345 /nfs/dbraw/zinc/10/83/45/393108345.db2.gz VLYCHIYDHHIHEA-AQFXKWCLSA-N 2 1 264.457 3.230 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415039586 393108540 /nfs/dbraw/zinc/10/85/40/393108540.db2.gz JFGRJBTZZZGUEL-CJNGLKHVSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415039586 393108545 /nfs/dbraw/zinc/10/85/45/393108545.db2.gz JFGRJBTZZZGUEL-CJNGLKHVSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000346451444 393088038 /nfs/dbraw/zinc/08/80/38/393088038.db2.gz FVPLDAXHAPRGCF-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000346451444 393088045 /nfs/dbraw/zinc/08/80/45/393088045.db2.gz FVPLDAXHAPRGCF-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1Oc1cccnc1 ZINC000415011977 393095272 /nfs/dbraw/zinc/09/52/72/393095272.db2.gz RRAXKWTUCIJRQA-ZIAGYGMSSA-N 2 1 285.391 3.008 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc3C2)CC[N@@H+]1C ZINC000648464995 393035200 /nfs/dbraw/zinc/03/52/00/393035200.db2.gz NIXFMHXHIPWRIB-FHLIZLRMSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc3C2)CC[N@H+]1C ZINC000648464995 393035202 /nfs/dbraw/zinc/03/52/02/393035202.db2.gz NIXFMHXHIPWRIB-FHLIZLRMSA-N 2 1 272.436 3.006 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414169849 393041230 /nfs/dbraw/zinc/04/12/30/393041230.db2.gz BPHVCNIMAAKGCG-BQFCYCMXSA-N 2 1 290.451 3.084 20 0 CGADMP CCC(CC)C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000414874039 393056767 /nfs/dbraw/zinc/05/67/67/393056767.db2.gz APXUOMYDVUMRQE-ROUUACIJSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414952734 393060815 /nfs/dbraw/zinc/06/08/15/393060815.db2.gz IVBYJVYHTMBTDP-TVQRCGJNSA-N 2 1 273.207 3.081 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414955346 393063552 /nfs/dbraw/zinc/06/35/52/393063552.db2.gz UCHUROFIMPGVHU-RNCFNFMXSA-N 2 1 290.304 3.075 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414957305 393064512 /nfs/dbraw/zinc/06/45/12/393064512.db2.gz OHOUUAJRNDFPPP-RHSMWYFYSA-N 2 1 288.435 3.096 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000415059114 393119978 /nfs/dbraw/zinc/11/99/78/393119978.db2.gz WPDKCPRJHBCSBC-RTBURBONSA-N 2 1 284.447 3.139 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000415063526 393124274 /nfs/dbraw/zinc/12/42/74/393124274.db2.gz ILCSMYVGCBRIRW-WMLDXEAASA-N 2 1 260.425 3.287 20 0 CGADMP Fc1ccccc1-c1ccc(C[NH2+]CCC[NH2+]C2CC2)o1 ZINC000415066858 393126916 /nfs/dbraw/zinc/12/69/16/393126916.db2.gz JMIPSBFNUMKXLF-UHFFFAOYSA-N 2 1 288.366 3.317 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000252711756 393127101 /nfs/dbraw/zinc/12/71/01/393127101.db2.gz KMZCZQHIGXKCSB-SMDDNHRTSA-N 2 1 286.341 3.135 20 0 CGADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1OC1CCC1 ZINC000415085113 393139111 /nfs/dbraw/zinc/13/91/11/393139111.db2.gz HWXGHSNUWZQMKD-HOCLYGCPSA-N 2 1 288.435 3.238 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000261837135 393142808 /nfs/dbraw/zinc/14/28/08/393142808.db2.gz RRTOJWKKNCFHSV-SJORKVTESA-N 2 1 272.436 3.092 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000648639384 393158484 /nfs/dbraw/zinc/15/84/84/393158484.db2.gz SQGZYSIAIIZKQT-YESZJQIVSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000648639382 393158584 /nfs/dbraw/zinc/15/85/84/393158584.db2.gz SQGZYSIAIIZKQT-IXDOHACOSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4cnccc4c3)C2)C1 ZINC000646243225 393246010 /nfs/dbraw/zinc/24/60/10/393246010.db2.gz AHMGSZMIEJAVID-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4cnccc4c3)C2)C1 ZINC000646243225 393246014 /nfs/dbraw/zinc/24/60/14/393246014.db2.gz AHMGSZMIEJAVID-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4cnccc4c3)C2)C1 ZINC000646243225 393246022 /nfs/dbraw/zinc/24/60/22/393246022.db2.gz AHMGSZMIEJAVID-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000271193907 393246517 /nfs/dbraw/zinc/24/65/17/393246517.db2.gz RORVRGZAEMTZBL-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000271193907 393246520 /nfs/dbraw/zinc/24/65/20/393246520.db2.gz RORVRGZAEMTZBL-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000271193907 393246526 /nfs/dbraw/zinc/24/65/26/393246526.db2.gz RORVRGZAEMTZBL-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000271193907 393246528 /nfs/dbraw/zinc/24/65/28/393246528.db2.gz RORVRGZAEMTZBL-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCCCC1 ZINC000471772621 393301410 /nfs/dbraw/zinc/30/14/10/393301410.db2.gz RSEINJOQXFYGPJ-MRXNPFEDSA-N 2 1 263.429 3.301 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278522565 393322400 /nfs/dbraw/zinc/32/24/00/393322400.db2.gz MYELPIZGKJFIFA-IAGOWNOFSA-N 2 1 290.451 3.147 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472057552 393327843 /nfs/dbraw/zinc/32/78/43/393327843.db2.gz JXZYAZYJCJMMKK-UHFFFAOYSA-N 2 1 285.435 3.359 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000355229052 393271658 /nfs/dbraw/zinc/27/16/58/393271658.db2.gz YAYRCDSOKJVQDG-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000355229052 393271663 /nfs/dbraw/zinc/27/16/63/393271663.db2.gz YAYRCDSOKJVQDG-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000355229052 393271666 /nfs/dbraw/zinc/27/16/66/393271666.db2.gz YAYRCDSOKJVQDG-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000355229052 393271672 /nfs/dbraw/zinc/27/16/72/393271672.db2.gz YAYRCDSOKJVQDG-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+]1CCCC1 ZINC000474050450 393338656 /nfs/dbraw/zinc/33/86/56/393338656.db2.gz HJIARLKZPGHXAY-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCC1 ZINC000281862798 393360009 /nfs/dbraw/zinc/36/00/09/393360009.db2.gz DOOIDCMSZXYPEJ-HUUCEWRRSA-N 2 1 297.446 3.099 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(F)(F)CC1 ZINC000647168447 393366739 /nfs/dbraw/zinc/36/67/39/393366739.db2.gz VSXZVOLRLDNOHP-ZDUSSCGKSA-N 2 1 274.399 3.418 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000281916167 393369864 /nfs/dbraw/zinc/36/98/64/393369864.db2.gz GNTIJACCDQEVSL-GFCCVEGCSA-N 2 1 283.366 3.063 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000479438638 393432601 /nfs/dbraw/zinc/43/26/01/393432601.db2.gz QRRNXKQHWZKGKU-XUWVNRHRSA-N 2 1 250.430 3.051 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000482441248 393438798 /nfs/dbraw/zinc/43/87/98/393438798.db2.gz SJDCZOLRXYXPHU-NVXWUHKLSA-N 2 1 274.452 3.202 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000483721311 393444195 /nfs/dbraw/zinc/44/41/95/393444195.db2.gz GYZOAIARJTTXPV-IKIFYQGPSA-N 2 1 264.457 3.274 20 0 CGADMP CC(C)(C)[C@H]([NH2+]CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000420398932 393481993 /nfs/dbraw/zinc/48/19/93/393481993.db2.gz HFOWPNICEHEYHL-GFCCVEGCSA-N 2 1 274.330 3.341 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000487278483 393451387 /nfs/dbraw/zinc/45/13/87/393451387.db2.gz OACZTPXJSLIHLN-SOUVJXGZSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420297818 393453022 /nfs/dbraw/zinc/45/30/22/393453022.db2.gz DPNVPCDOKIZJAM-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420301744 393456078 /nfs/dbraw/zinc/45/60/78/393456078.db2.gz JARAWISWOUQGQQ-KSSFIOAISA-N 2 1 270.420 3.138 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420306015 393457124 /nfs/dbraw/zinc/45/71/24/393457124.db2.gz QGDRAKCPKRMVKL-ROUUACIJSA-N 2 1 274.452 3.248 20 0 CGADMP CC(C)C[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304332 393457487 /nfs/dbraw/zinc/45/74/87/393457487.db2.gz ODQWEYIKZVJENX-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1Cl ZINC000420306119 393458138 /nfs/dbraw/zinc/45/81/38/393458138.db2.gz KTKBPFODPBBJCS-UHFFFAOYSA-N 2 1 282.815 3.098 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420314602 393461190 /nfs/dbraw/zinc/46/11/90/393461190.db2.gz ZEBQXODGSDFZTF-BRWVUGGUSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323641 393466664 /nfs/dbraw/zinc/46/66/64/393466664.db2.gz GMYGBVUKTGUSQY-RDBSUJKOSA-N 2 1 294.389 3.347 20 0 CGADMP COc1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420327265 393467333 /nfs/dbraw/zinc/46/73/33/393467333.db2.gz YAJGOZMQWASWJO-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328912 393469435 /nfs/dbraw/zinc/46/94/35/393469435.db2.gz NLIRBTNHNXRGSJ-KFWWJZLASA-N 2 1 276.399 3.208 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CCC1 ZINC000429520219 393473336 /nfs/dbraw/zinc/47/33/36/393473336.db2.gz LKMWYEBRQVTSBP-DOTOQJQBSA-N 2 1 296.499 3.434 20 0 CGADMP CSc1ccccc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420364726 393474703 /nfs/dbraw/zinc/47/47/03/393474703.db2.gz KOVRPZPCFAGHGM-OAHLLOKOSA-N 2 1 278.465 3.406 20 0 CGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429534886 393474862 /nfs/dbraw/zinc/47/48/62/393474862.db2.gz KQYOFYOLBFQLAU-KRWDZBQOSA-N 2 1 290.451 3.098 20 0 CGADMP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429534886 393474877 /nfs/dbraw/zinc/47/48/77/393474877.db2.gz KQYOFYOLBFQLAU-KRWDZBQOSA-N 2 1 290.451 3.098 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000429535494 393475715 /nfs/dbraw/zinc/47/57/15/393475715.db2.gz IHELYEZYDLNPPN-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCCC1CCOCC1)C1CCCCC1 ZINC000420374004 393478304 /nfs/dbraw/zinc/47/83/04/393478304.db2.gz RQWZJXJFRYQHIB-KRWDZBQOSA-N 2 1 282.472 3.081 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248955 393411942 /nfs/dbraw/zinc/41/19/42/393411942.db2.gz SRZKYTBEHYUZHI-BGTYHANMSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359230475 393541104 /nfs/dbraw/zinc/54/11/04/393541104.db2.gz ZMCMPHYPSFUFHI-OAHLLOKOSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488357613 393496481 /nfs/dbraw/zinc/49/64/81/393496481.db2.gz VWAXLTSGVRZEQS-NVXWUHKLSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488357613 393496485 /nfs/dbraw/zinc/49/64/85/393496485.db2.gz VWAXLTSGVRZEQS-NVXWUHKLSA-N 2 1 272.436 3.239 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000429798639 393503249 /nfs/dbraw/zinc/50/32/49/393503249.db2.gz JVCRQPBCGVRUQW-ZJPYXAASSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000429798639 393503253 /nfs/dbraw/zinc/50/32/53/393503253.db2.gz JVCRQPBCGVRUQW-ZJPYXAASSA-N 2 1 296.499 3.244 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CCOCC[NH3+])CC(C)C ZINC000357086033 393505634 /nfs/dbraw/zinc/50/56/34/393505634.db2.gz RFKIORXQGVEJKA-KRWDZBQOSA-N 2 1 278.440 3.071 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCOC[C@@H](C3CCC3)C2)cn1 ZINC000430148976 393530702 /nfs/dbraw/zinc/53/07/02/393530702.db2.gz UVENGNOLCUWKQW-SFHVURJKSA-N 2 1 288.435 3.071 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709454 393552021 /nfs/dbraw/zinc/55/20/21/393552021.db2.gz MZCLTMKRFWVTQV-UHFFFAOYSA-N 2 1 296.352 3.085 20 0 CGADMP CC1=C[C@@H](C)C[N@@H+](CCC[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430261883 393552259 /nfs/dbraw/zinc/55/22/59/393552259.db2.gz KLEKKXGWDYXVMA-FZNQNYSPSA-N 2 1 262.441 3.173 20 0 CGADMP CC1=C[C@@H](C)C[NH+](CCC[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430261883 393552265 /nfs/dbraw/zinc/55/22/65/393552265.db2.gz KLEKKXGWDYXVMA-FZNQNYSPSA-N 2 1 262.441 3.173 20 0 CGADMP CC1=C[C@@H](C)C[NH+](CCC[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430261883 393552275 /nfs/dbraw/zinc/55/22/75/393552275.db2.gz KLEKKXGWDYXVMA-FZNQNYSPSA-N 2 1 262.441 3.173 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000360014706 393558131 /nfs/dbraw/zinc/55/81/31/393558131.db2.gz JELCVQKEXFZATC-IRXDYDNUSA-N 2 1 283.419 3.117 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430559024 393574195 /nfs/dbraw/zinc/57/41/95/393574195.db2.gz WSKMVRHYGNNHME-HWWQOWPSSA-N 2 1 282.378 3.475 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430559024 393574202 /nfs/dbraw/zinc/57/42/02/393574202.db2.gz WSKMVRHYGNNHME-HWWQOWPSSA-N 2 1 282.378 3.475 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000430572203 393576898 /nfs/dbraw/zinc/57/68/98/393576898.db2.gz NPJXBVHXALHSRA-WBVHZDCISA-N 2 1 298.430 3.278 20 0 CGADMP Clc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1Cl ZINC000666855452 542820586 /nfs/dbraw/zinc/82/05/86/542820586.db2.gz SHQOHPVYPSTHLC-NSHDSACASA-N 2 1 273.207 3.225 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[NH2+]1 ZINC000666873218 542823329 /nfs/dbraw/zinc/82/33/29/542823329.db2.gz HRFREWWNUVYRMV-DGCLKSJQSA-N 2 1 289.810 3.118 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419932 393611624 /nfs/dbraw/zinc/61/16/24/393611624.db2.gz HHFUMLRGIOEXAW-XDNAFOTISA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419932 393611628 /nfs/dbraw/zinc/61/16/28/393611628.db2.gz HHFUMLRGIOEXAW-XDNAFOTISA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000360921769 393616039 /nfs/dbraw/zinc/61/60/39/393616039.db2.gz JCJLCUWVJQSYBW-FSZRXZPDSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000360921769 393616043 /nfs/dbraw/zinc/61/60/43/393616043.db2.gz JCJLCUWVJQSYBW-FSZRXZPDSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360984942 393630057 /nfs/dbraw/zinc/63/00/57/393630057.db2.gz SRGNOKWCMHXCNS-KBMXLJTQSA-N 2 1 278.465 3.286 20 0 CGADMP CC(C)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422564775 393640529 /nfs/dbraw/zinc/64/05/29/393640529.db2.gz WTXNYONYBFSYRE-UHFFFAOYSA-N 2 1 258.409 3.138 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423273687 393657574 /nfs/dbraw/zinc/65/75/74/393657574.db2.gz KVLMUBRGXCSKJJ-KGLIPLIRSA-N 2 1 297.240 3.009 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423266979 393657756 /nfs/dbraw/zinc/65/77/56/393657756.db2.gz FAZXYLMRKPILLX-GXFFZTMASA-N 2 1 274.330 3.339 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423286305 393659147 /nfs/dbraw/zinc/65/91/47/393659147.db2.gz GNGRKLMRYNBSOS-INIZCTEOSA-N 2 1 288.435 3.106 20 0 CGADMP CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423344867 393662407 /nfs/dbraw/zinc/66/24/07/393662407.db2.gz XCMPTMNFCRJUHT-RYQLBKOJSA-N 2 1 290.451 3.309 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423446495 393667573 /nfs/dbraw/zinc/66/75/73/393667573.db2.gz OEJUICSYDFOSEJ-UVPNAGLESA-N 2 1 273.207 3.306 20 0 CGADMP CC1(C)CC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000433150548 393690258 /nfs/dbraw/zinc/69/02/58/393690258.db2.gz LUZWWMXQNVZHOB-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP CC1(C)CC([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000433150548 393690262 /nfs/dbraw/zinc/69/02/62/393690262.db2.gz LUZWWMXQNVZHOB-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425332463 393692054 /nfs/dbraw/zinc/69/20/54/393692054.db2.gz BHVQXYJUPRJLPG-QKPAOTATSA-N 2 1 284.513 3.228 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C3(C)CC3)CCCC2)CC1 ZINC000361214101 393703871 /nfs/dbraw/zinc/70/38/71/393703871.db2.gz CXQFDVBDXOSWRO-OAHLLOKOSA-N 2 1 294.483 3.188 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C(C)C)CCCC2)CC1 ZINC000361221566 393704432 /nfs/dbraw/zinc/70/44/32/393704432.db2.gz UKEJUTWHHHHRDS-OAHLLOKOSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495013295 393777190 /nfs/dbraw/zinc/77/71/90/393777190.db2.gz AOYXWLSRCJMMLH-HZSPNIEDSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CC12CCC2 ZINC000444612351 393790416 /nfs/dbraw/zinc/79/04/16/393790416.db2.gz VREBFKQKXIGDAL-INIZCTEOSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000445414667 393793159 /nfs/dbraw/zinc/79/31/59/393793159.db2.gz YYVRGRVYZFHSBA-HOCLYGCPSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000445414667 393793163 /nfs/dbraw/zinc/79/31/63/393793163.db2.gz YYVRGRVYZFHSBA-HOCLYGCPSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000445414667 393793168 /nfs/dbraw/zinc/79/31/68/393793168.db2.gz YYVRGRVYZFHSBA-HOCLYGCPSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000500100608 393817486 /nfs/dbraw/zinc/81/74/86/393817486.db2.gz YPTMGBOYAJEUTH-ZACQAIPSSA-N 2 1 296.499 3.386 20 0 CGADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000502685868 393881589 /nfs/dbraw/zinc/88/15/89/393881589.db2.gz KKXNSPAADIIPPY-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCC[C@H]1C ZINC000449560709 393904122 /nfs/dbraw/zinc/90/41/22/393904122.db2.gz OSJGQHLZQNMQCZ-HJQPHTCJSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000666969012 542830741 /nfs/dbraw/zinc/83/07/41/542830741.db2.gz UOOLTSBMAMMBLQ-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP c1csc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCCC2)c1 ZINC000232471857 285569211 /nfs/dbraw/zinc/56/92/11/285569211.db2.gz YFDUSVUUCPDULA-ZFWWWQNUSA-N 2 1 264.438 3.321 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)CCCc1cccnc1)[NH+]1CCCC1 ZINC000453087803 394166746 /nfs/dbraw/zinc/16/67/46/394166746.db2.gz QEDVTLUIJYZMDU-AEFFLSMTSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453394405 394230620 /nfs/dbraw/zinc/23/06/20/394230620.db2.gz IYICBBZXXVNMJH-FMKPAKJESA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(C3CCC3)CCC2)CC[N@H+]1C ZINC000453411060 394238258 /nfs/dbraw/zinc/23/82/58/394238258.db2.gz XEHGIGANSLTONJ-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(F)c1 ZINC000453427144 394243703 /nfs/dbraw/zinc/24/37/03/394243703.db2.gz ONEZAOARNJELBA-ZDUSSCGKSA-N 2 1 294.414 3.359 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000453451694 394247349 /nfs/dbraw/zinc/24/73/49/394247349.db2.gz RQNAYYKPNCGFGZ-LVQVYYBASA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000453597883 394253261 /nfs/dbraw/zinc/25/32/61/394253261.db2.gz OOERCYQDMQBMIF-UHFFFAOYSA-N 2 1 271.408 3.132 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1F ZINC000453600274 394254470 /nfs/dbraw/zinc/25/44/70/394254470.db2.gz SIBRUGVWUFTXRW-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CC(C)c1ncc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453600271 394254811 /nfs/dbraw/zinc/25/48/11/394254811.db2.gz SGZAYPCGYUXRHB-UHFFFAOYSA-N 2 1 281.469 3.231 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1coc(-c2ccccc2)n1)C1CC1 ZINC000453601060 394254822 /nfs/dbraw/zinc/25/48/22/394254822.db2.gz TZEIWQCGSGVVGA-UHFFFAOYSA-N 2 1 299.418 3.306 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667589795 542894719 /nfs/dbraw/zinc/89/47/19/542894719.db2.gz CRDQVIRHALKFCB-INIZCTEOSA-N 2 1 284.407 3.278 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667589795 542894721 /nfs/dbraw/zinc/89/47/21/542894721.db2.gz CRDQVIRHALKFCB-INIZCTEOSA-N 2 1 284.407 3.278 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)n(-c2ccncc2)n1 ZINC000667544554 542887329 /nfs/dbraw/zinc/88/73/29/542887329.db2.gz KYLCZZSNOQSBGG-GOSISDBHSA-N 2 1 296.418 3.422 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000667544554 542887334 /nfs/dbraw/zinc/88/73/34/542887334.db2.gz KYLCZZSNOQSBGG-GOSISDBHSA-N 2 1 296.418 3.422 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000667544554 542887337 /nfs/dbraw/zinc/88/73/37/542887337.db2.gz KYLCZZSNOQSBGG-GOSISDBHSA-N 2 1 296.418 3.422 20 0 CGADMP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CC=CCC1 ZINC000667970813 542952219 /nfs/dbraw/zinc/95/22/19/542952219.db2.gz VDUYQMYZGTVTRO-HNNXBMFYSA-N 2 1 282.391 3.055 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3ccncc3s2)CC1 ZINC000668063522 542964701 /nfs/dbraw/zinc/96/47/01/542964701.db2.gz NTBNNZYKFGKRSW-CQSZACIVSA-N 2 1 289.448 3.212 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3ccncc3s2)CC1 ZINC000668063522 542964703 /nfs/dbraw/zinc/96/47/03/542964703.db2.gz NTBNNZYKFGKRSW-CQSZACIVSA-N 2 1 289.448 3.212 20 0 CGADMP Cc1ncc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)n1C ZINC000668143133 542975724 /nfs/dbraw/zinc/97/57/24/542975724.db2.gz NDEPTWBIRDHOHJ-QRVBRYPASA-N 2 1 295.430 3.497 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@@H]3CCN(C)C[C@H]3C)cc21 ZINC000668172959 542980171 /nfs/dbraw/zinc/98/01/71/542980171.db2.gz XYXMSKOTAFLIFO-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(CN(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc21 ZINC000668172959 542980175 /nfs/dbraw/zinc/98/01/75/542980175.db2.gz XYXMSKOTAFLIFO-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(CN(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc21 ZINC000668172959 542980179 /nfs/dbraw/zinc/98/01/79/542980179.db2.gz XYXMSKOTAFLIFO-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc21 ZINC000668172959 542980181 /nfs/dbraw/zinc/98/01/81/542980181.db2.gz XYXMSKOTAFLIFO-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc21 ZINC000668172959 542980183 /nfs/dbraw/zinc/98/01/83/542980183.db2.gz XYXMSKOTAFLIFO-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)cc21 ZINC000668172959 542980187 /nfs/dbraw/zinc/98/01/87/542980187.db2.gz XYXMSKOTAFLIFO-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)cc21 ZINC000668172959 542980190 /nfs/dbraw/zinc/98/01/90/542980190.db2.gz XYXMSKOTAFLIFO-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916598 397609579 /nfs/dbraw/zinc/60/95/79/397609579.db2.gz QBBHTQAUHHALNK-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000552033225 289151821 /nfs/dbraw/zinc/15/18/21/289151821.db2.gz RJKAFMXNJKUKKW-LVQVYYBASA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000552033225 289151825 /nfs/dbraw/zinc/15/18/25/289151825.db2.gz RJKAFMXNJKUKKW-LVQVYYBASA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2c(OC)ccc3ccccc32)CC[C@H]1[NH3+] ZINC000387608340 397690288 /nfs/dbraw/zinc/69/02/88/397690288.db2.gz XRIAYCHREZGTET-RDTXWAMCSA-N 2 1 298.430 3.408 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000650710114 397898188 /nfs/dbraw/zinc/89/81/88/397898188.db2.gz FAIWDABDNYYBCY-DLBZAZTESA-N 3 1 295.515 3.009 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000675795210 543365584 /nfs/dbraw/zinc/36/55/84/543365584.db2.gz ONTDMESOVRLDDZ-JKSUJKDBSA-N 2 1 263.429 3.386 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCc2ccccc2)[C@@H](C)C1 ZINC000675736594 543359470 /nfs/dbraw/zinc/35/94/70/543359470.db2.gz XENIYFYCNFCEPZ-FUHWJXTLSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880374 543369467 /nfs/dbraw/zinc/36/94/67/543369467.db2.gz DMPZAMRVFULMFL-AEFFLSMTSA-N 2 1 294.483 3.354 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2CCC2)[C@H](C)C1 ZINC000675885310 543369973 /nfs/dbraw/zinc/36/99/73/543369973.db2.gz PKKSGNSNLBOVRV-RYRKJORJSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240018 543441255 /nfs/dbraw/zinc/44/12/55/543441255.db2.gz CZQIODJPPJQDOT-VQHPVUNQSA-N 2 1 264.457 3.419 20 0 CGADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000419255217 286011884 /nfs/dbraw/zinc/01/18/84/286011884.db2.gz YGWGMRLXJDZKRS-JZXOWHBKSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678271095 543506763 /nfs/dbraw/zinc/50/67/63/543506763.db2.gz NIVDKZONNVRNNV-CVEARBPZSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCCC2)[C@H](C)C1 ZINC000678597905 543541082 /nfs/dbraw/zinc/54/10/82/543541082.db2.gz JUYURTCIMVZCMB-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000678926385 543572408 /nfs/dbraw/zinc/57/24/08/543572408.db2.gz AZJLNGULCMCOLX-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC[N@H+]1C ZINC000679011268 543581959 /nfs/dbraw/zinc/58/19/59/543581959.db2.gz BVVKFGAGKOENBK-HOCLYGCPSA-N 2 1 290.451 3.436 20 0 CGADMP COCC1(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000361333996 292249170 /nfs/dbraw/zinc/24/91/70/292249170.db2.gz DCKPDPVMGNSBBK-CVEARBPZSA-N 2 1 294.483 3.046 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](CC)C(C)C)C12CCCC2 ZINC000344089746 286386257 /nfs/dbraw/zinc/38/62/57/286386257.db2.gz BIUQBNNGUVGCBA-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](CC)C(C)C)C12CCCC2 ZINC000344089746 286386258 /nfs/dbraw/zinc/38/62/58/286386258.db2.gz BIUQBNNGUVGCBA-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000335782566 286386353 /nfs/dbraw/zinc/38/63/53/286386353.db2.gz WNQBWMHYHVPLJN-KRWDZBQOSA-N 2 1 288.435 3.101 20 0 CGADMP COc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000079436819 287056903 /nfs/dbraw/zinc/05/69/03/287056903.db2.gz GXQLLHKPHNIPGT-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000079436819 287056904 /nfs/dbraw/zinc/05/69/04/287056904.db2.gz GXQLLHKPHNIPGT-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000079436819 287056906 /nfs/dbraw/zinc/05/69/06/287056906.db2.gz GXQLLHKPHNIPGT-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000079436819 287056907 /nfs/dbraw/zinc/05/69/07/287056907.db2.gz GXQLLHKPHNIPGT-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585994 287103094 /nfs/dbraw/zinc/10/30/94/287103094.db2.gz LMAXYEKGPNCFIN-DLBZAZTESA-N 2 1 284.488 3.149 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC000091059779 165256195 /nfs/dbraw/zinc/25/61/95/165256195.db2.gz ZBCBJNOADIMRTG-ZDUSSCGKSA-N 2 1 271.408 3.234 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c2ccccc2n1 ZINC000092346012 165290486 /nfs/dbraw/zinc/29/04/86/165290486.db2.gz FTDYTSFVZCRKSW-UGSOOPFHSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c2ccccc2n1 ZINC000092346012 165290488 /nfs/dbraw/zinc/29/04/88/165290488.db2.gz FTDYTSFVZCRKSW-UGSOOPFHSA-N 2 1 283.419 3.102 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncccc2C)CC1 ZINC000093159553 165325122 /nfs/dbraw/zinc/32/51/22/165325122.db2.gz YRNISKHGNZOHCO-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP C1=CC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000093683423 165335401 /nfs/dbraw/zinc/33/54/01/165335401.db2.gz IOSKXMLOJTWTDY-DLBZAZTESA-N 2 1 262.441 3.151 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522147 165353058 /nfs/dbraw/zinc/35/30/58/165353058.db2.gz UDTJTZCRBBYJMJ-QGZVFWFLSA-N 2 1 258.409 3.267 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC000093742233 287118900 /nfs/dbraw/zinc/11/89/00/287118900.db2.gz ZHMRQUYPGNSSIT-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000093742233 287118902 /nfs/dbraw/zinc/11/89/02/287118902.db2.gz ZHMRQUYPGNSSIT-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000093742233 287118903 /nfs/dbraw/zinc/11/89/03/287118903.db2.gz ZHMRQUYPGNSSIT-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245169 287133412 /nfs/dbraw/zinc/13/34/12/287133412.db2.gz NRRPSGBCPCNJRP-WDEREUQCSA-N 2 1 272.314 3.047 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459799278 287218435 /nfs/dbraw/zinc/21/84/35/287218435.db2.gz YRPWGQVWFPQPPH-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000124617437 287235266 /nfs/dbraw/zinc/23/52/66/287235266.db2.gz LYZOVEABRQQYEC-YOEHRIQHSA-N 2 1 260.425 3.197 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000124617215 287235283 /nfs/dbraw/zinc/23/52/83/287235283.db2.gz LYZOVEABRQQYEC-PBHICJAKSA-N 2 1 260.425 3.197 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000020189848 171056742 /nfs/dbraw/zinc/05/67/42/171056742.db2.gz DBMCVNKZDOCWRX-LBPRGKRZSA-N 2 1 282.378 3.490 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000020189938 171057134 /nfs/dbraw/zinc/05/71/34/171057134.db2.gz UHQJHHNRJGHZLZ-ZDUSSCGKSA-N 2 1 264.388 3.351 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000126151195 287258321 /nfs/dbraw/zinc/25/83/21/287258321.db2.gz XRMPGSIVNOUBAC-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000126151195 287258323 /nfs/dbraw/zinc/25/83/23/287258323.db2.gz XRMPGSIVNOUBAC-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000040591721 174347158 /nfs/dbraw/zinc/34/71/58/174347158.db2.gz HYBFYFWHJXSPJP-INIZCTEOSA-N 2 1 268.404 3.271 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000040593282 174347789 /nfs/dbraw/zinc/34/77/89/174347789.db2.gz NQYAYYLFCAMSJN-QWHCGFSZSA-N 2 1 298.377 3.280 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000040639984 174364033 /nfs/dbraw/zinc/36/40/33/174364033.db2.gz GTSOGEJQVDHKCO-UHFFFAOYSA-N 2 1 278.440 3.151 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1C ZINC000127751337 287295379 /nfs/dbraw/zinc/29/53/79/287295379.db2.gz FILBNUXGQIPLLI-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527906 175192880 /nfs/dbraw/zinc/19/28/80/175192880.db2.gz ZPKVZTTXTLSMAC-NWDGAFQWSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527906 175192882 /nfs/dbraw/zinc/19/28/82/175192882.db2.gz ZPKVZTTXTLSMAC-NWDGAFQWSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000071376868 176142022 /nfs/dbraw/zinc/14/20/22/176142022.db2.gz WFYUDRAIGVVMLI-CQSZACIVSA-N 2 1 264.413 3.065 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000071376868 176142023 /nfs/dbraw/zinc/14/20/23/176142023.db2.gz WFYUDRAIGVVMLI-CQSZACIVSA-N 2 1 264.413 3.065 20 0 CGADMP CC[NH+](CC)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656639 176483423 /nfs/dbraw/zinc/48/34/23/176483423.db2.gz NIHPTGVHKRDADV-NVXWUHKLSA-N 2 1 260.425 3.381 20 0 CGADMP CC[NH+](CC)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656639 176483424 /nfs/dbraw/zinc/48/34/24/176483424.db2.gz NIHPTGVHKRDADV-NVXWUHKLSA-N 2 1 260.425 3.381 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000129014523 287322474 /nfs/dbraw/zinc/32/24/74/287322474.db2.gz LOEKGZRZWCBTJB-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000129014523 287322476 /nfs/dbraw/zinc/32/24/76/287322476.db2.gz LOEKGZRZWCBTJB-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP C[C@@H]1CCC[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000050953376 416478572 /nfs/dbraw/zinc/47/85/72/416478572.db2.gz OKCBWEOYDLCONK-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1CCCCCC1 ZINC000050952762 416478965 /nfs/dbraw/zinc/47/89/65/416478965.db2.gz MLOSSYLZYZHASX-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(C)(C)C ZINC000305965199 416527262 /nfs/dbraw/zinc/52/72/62/416527262.db2.gz CEDIQAOUZIXBCR-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC000314418948 416537121 /nfs/dbraw/zinc/53/71/21/416537121.db2.gz VRWRJPAXSSMBCZ-HKUYNNGSSA-N 2 1 280.415 3.401 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)[C@@H]1CC[NH3+] ZINC000404411885 416553659 /nfs/dbraw/zinc/55/36/59/416553659.db2.gz YIZAFGAFBCOAOS-SJLPKXTDSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000404437951 416554859 /nfs/dbraw/zinc/55/48/59/416554859.db2.gz SHSPPOSRBLSNGX-KDOFPFPSSA-N 2 1 299.418 3.291 20 0 CGADMP c1cc(C[NH+]2CC=CCC2)cc(C[N@@H+]2CC=CCC2)c1 ZINC000679321535 543617484 /nfs/dbraw/zinc/61/74/84/543617484.db2.gz HGUYQKQBQXFSTE-UHFFFAOYSA-N 2 1 268.404 3.210 20 0 CGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCCCO)c1 ZINC000679334881 543621061 /nfs/dbraw/zinc/62/10/61/543621061.db2.gz FYPYSUCLIBEHRE-MRXNPFEDSA-N 2 1 292.467 3.168 20 0 CGADMP Cc1nccn1CCC[N@@H+](C)CCCCC(F)(F)F ZINC000130652771 287360427 /nfs/dbraw/zinc/36/04/27/287360427.db2.gz UFVWDJSXIANOFG-UHFFFAOYSA-N 2 1 277.334 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCC(F)(F)F ZINC000130652771 287360430 /nfs/dbraw/zinc/36/04/30/287360430.db2.gz UFVWDJSXIANOFG-UHFFFAOYSA-N 2 1 277.334 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCC(F)(F)F ZINC000130652771 287360432 /nfs/dbraw/zinc/36/04/32/287360432.db2.gz UFVWDJSXIANOFG-UHFFFAOYSA-N 2 1 277.334 3.246 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000682075807 543822695 /nfs/dbraw/zinc/82/26/95/543822695.db2.gz ZQEQSROKMXYEQH-MAUKXSAKSA-N 2 1 270.420 3.092 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078242 543823981 /nfs/dbraw/zinc/82/39/81/543823981.db2.gz WELSQXJKFDZYBL-KBAYOESNSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078242 543823984 /nfs/dbraw/zinc/82/39/84/543823984.db2.gz WELSQXJKFDZYBL-KBAYOESNSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078242 543823985 /nfs/dbraw/zinc/82/39/85/543823985.db2.gz WELSQXJKFDZYBL-KBAYOESNSA-N 2 1 270.420 3.090 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000130886313 287365898 /nfs/dbraw/zinc/36/58/98/287365898.db2.gz ATNNMPBCAVPNJL-RDJZCZTQSA-N 2 1 293.455 3.109 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000130886313 287365900 /nfs/dbraw/zinc/36/59/00/287365900.db2.gz ATNNMPBCAVPNJL-RDJZCZTQSA-N 2 1 293.455 3.109 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000366974412 226052711 /nfs/dbraw/zinc/05/27/11/226052711.db2.gz RGNKHJFSIOTSSK-WCXIOVBPSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000366974412 226052714 /nfs/dbraw/zinc/05/27/14/226052714.db2.gz RGNKHJFSIOTSSK-WCXIOVBPSA-N 2 1 272.436 3.313 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000683769340 543939889 /nfs/dbraw/zinc/93/98/89/543939889.db2.gz SEJPAHGHRPYXCL-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000683769340 543939892 /nfs/dbraw/zinc/93/98/92/543939892.db2.gz SEJPAHGHRPYXCL-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc[nH+]c2c(O)cccc12 ZINC000684574962 544016065 /nfs/dbraw/zinc/01/60/65/544016065.db2.gz DXVOVAGPYCIADL-CQSZACIVSA-N 2 1 299.418 3.251 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684768073 544027882 /nfs/dbraw/zinc/02/78/82/544027882.db2.gz GLEBKXRBSCFVHO-BPQIPLTHSA-N 2 1 294.483 3.331 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2[nH]1 ZINC000685462685 544074834 /nfs/dbraw/zinc/07/48/34/544074834.db2.gz DXAIMEZOQHDCGU-UHFFFAOYSA-N 2 1 273.424 3.332 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2[nH]1 ZINC000685462685 544074836 /nfs/dbraw/zinc/07/48/36/544074836.db2.gz DXAIMEZOQHDCGU-UHFFFAOYSA-N 2 1 273.424 3.332 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000685662207 544093598 /nfs/dbraw/zinc/09/35/98/544093598.db2.gz CIORAYBZFYMXFC-KGLIPLIRSA-N 2 1 268.470 3.388 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000685662207 544093602 /nfs/dbraw/zinc/09/36/02/544093602.db2.gz CIORAYBZFYMXFC-KGLIPLIRSA-N 2 1 268.470 3.388 20 0 CGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000685909870 544106827 /nfs/dbraw/zinc/10/68/27/544106827.db2.gz IJBPZQPPFBQRHO-AAEUAGOBSA-N 2 1 285.366 3.411 20 0 CGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000685909870 544106831 /nfs/dbraw/zinc/10/68/31/544106831.db2.gz IJBPZQPPFBQRHO-AAEUAGOBSA-N 2 1 285.366 3.411 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000136038059 287478199 /nfs/dbraw/zinc/47/81/99/287478199.db2.gz DANJVDBPWPWZFY-UHFFFAOYSA-N 2 1 268.832 3.470 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000367187220 227228674 /nfs/dbraw/zinc/22/86/74/227228674.db2.gz SBEUGWYFBHRIKQ-UHFFFAOYSA-N 2 1 297.402 3.077 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000367187220 227228676 /nfs/dbraw/zinc/22/86/76/227228676.db2.gz SBEUGWYFBHRIKQ-UHFFFAOYSA-N 2 1 297.402 3.077 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741377 418935925 /nfs/dbraw/zinc/93/59/25/418935925.db2.gz CHLRRTFDUWFNIP-XLNGHYISSA-N 2 1 274.452 3.359 20 0 CGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222175 418937010 /nfs/dbraw/zinc/93/70/10/418937010.db2.gz GZUVKGQCWHZISA-SJLPKXTDSA-N 2 1 292.467 3.330 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)s1 ZINC000652222022 418937302 /nfs/dbraw/zinc/93/73/02/418937302.db2.gz CRLDATVGVUJVKX-LBPRGKRZSA-N 2 1 283.485 3.388 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)s1 ZINC000652222022 418937305 /nfs/dbraw/zinc/93/73/05/418937305.db2.gz CRLDATVGVUJVKX-LBPRGKRZSA-N 2 1 283.485 3.388 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000652222495 418937576 /nfs/dbraw/zinc/93/75/76/418937576.db2.gz PXHMOMKKNSCQSX-AWEZNQCLSA-N 2 1 264.413 3.021 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000652222495 418937577 /nfs/dbraw/zinc/93/75/77/418937577.db2.gz PXHMOMKKNSCQSX-AWEZNQCLSA-N 2 1 264.413 3.021 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000652358614 418955954 /nfs/dbraw/zinc/95/59/54/418955954.db2.gz XDIQXGXIEIMYQY-OAHLLOKOSA-N 2 1 286.419 3.481 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348877 418956239 /nfs/dbraw/zinc/95/62/39/418956239.db2.gz ULNQKQQVWIYHKX-HRCADAONSA-N 2 1 282.472 3.031 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000652348368 418956892 /nfs/dbraw/zinc/95/68/92/418956892.db2.gz BEYBERDPSJEBLJ-KZNAEPCWSA-N 2 1 294.483 3.175 20 0 CGADMP C(C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000652344280 418956906 /nfs/dbraw/zinc/95/69/06/418956906.db2.gz DPSRYGITSJIYSV-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H](N2CCCC2)C1)C1CC1 ZINC000653497654 419038622 /nfs/dbraw/zinc/03/86/22/419038622.db2.gz PUNNKTWYJZUPGB-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)(CCN1CCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000653497654 419038624 /nfs/dbraw/zinc/03/86/24/419038624.db2.gz PUNNKTWYJZUPGB-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000659943355 419040202 /nfs/dbraw/zinc/04/02/02/419040202.db2.gz BLOCZPWNUBHBAY-QZTJIDSGSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@H]1CN1CCCC1)C1CC1 ZINC000653536585 419043527 /nfs/dbraw/zinc/04/35/27/419043527.db2.gz AZFSTDFFVBGKGQ-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000655735998 419082364 /nfs/dbraw/zinc/08/23/64/419082364.db2.gz ARAMVHGOPSDHHC-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1F ZINC000653791438 419086767 /nfs/dbraw/zinc/08/67/67/419086767.db2.gz UHNNGRZIBQUECG-MRXNPFEDSA-N 2 1 275.371 3.233 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665248987 419092462 /nfs/dbraw/zinc/09/24/62/419092462.db2.gz HKCFAJBYCOUDBD-LBPRGKRZSA-N 2 1 264.438 3.331 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccccc32)CCCC1 ZINC000665249760 419092619 /nfs/dbraw/zinc/09/26/19/419092619.db2.gz YPMNBNUABZRBMW-CYBMUJFWSA-N 2 1 262.422 3.085 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665249909 419092626 /nfs/dbraw/zinc/09/26/26/419092626.db2.gz AYGRVXAHYAOWNN-ATZDWAIDSA-N 2 1 298.430 3.336 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(Br)c1 ZINC000665250369 419093016 /nfs/dbraw/zinc/09/30/16/419093016.db2.gz PEWBRCUJPLBQLN-NSHDSACASA-N 2 1 297.240 3.371 20 0 CGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000665252150 419094375 /nfs/dbraw/zinc/09/43/75/419094375.db2.gz IPBXUQPLYFCFAU-AKHDSKFASA-N 2 1 284.447 3.300 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257558 419095770 /nfs/dbraw/zinc/09/57/70/419095770.db2.gz MXNYEWNJPNLIHX-KKBVYLPWSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000665274469 419097835 /nfs/dbraw/zinc/09/78/35/419097835.db2.gz QQLLZEIPJRIUQD-SUYBPPKGSA-N 2 1 267.376 3.091 20 0 CGADMP CC1(C)C[C@]1(C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000665275408 419099178 /nfs/dbraw/zinc/09/91/78/419099178.db2.gz KCOOIUYIIAJWEU-INMHGKMJSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1cc(C)c([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1C ZINC000665276526 419099624 /nfs/dbraw/zinc/09/96/24/419099624.db2.gz FSOGSHNEGWKSGR-HPUBIQBYSA-N 2 1 258.409 3.014 20 0 CGADMP CC(C)C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665278028 419100280 /nfs/dbraw/zinc/10/02/80/419100280.db2.gz STHTVIUYQURSBQ-WIHSUSGWSA-N 2 1 258.409 3.115 20 0 CGADMP c1ccc([C@H](CC2CCC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278701 419101327 /nfs/dbraw/zinc/10/13/27/419101327.db2.gz MSHYTBLITACETM-NXYGQSRBSA-N 2 1 270.420 3.260 20 0 CGADMP CCCn1ccnc1CCC[N@@H+](C)CCC1CCC1 ZINC000660416569 419141146 /nfs/dbraw/zinc/14/11/46/419141146.db2.gz LJNVFSBVEFZBAR-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC1CCC1 ZINC000660416569 419141150 /nfs/dbraw/zinc/14/11/50/419141150.db2.gz LJNVFSBVEFZBAR-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC1CCC1 ZINC000660416569 419141154 /nfs/dbraw/zinc/14/11/54/419141154.db2.gz LJNVFSBVEFZBAR-UHFFFAOYSA-N 2 1 263.429 3.348 20 0 CGADMP COc1cccc2c(NC[C@H]3C[C@@H]([NH+](C)C)C3)c(C)c[nH+]c12 ZINC000656211983 419152124 /nfs/dbraw/zinc/15/21/24/419152124.db2.gz UZMMBOFTMMPJCG-OKILXGFUSA-N 2 1 299.418 3.304 20 0 CGADMP CSc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000660542004 419158831 /nfs/dbraw/zinc/15/88/31/419158831.db2.gz MGTQNKTWLOWNPG-XYPWUTKMSA-N 2 1 290.476 3.466 20 0 CGADMP CSc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000660542004 419158834 /nfs/dbraw/zinc/15/88/34/419158834.db2.gz MGTQNKTWLOWNPG-XYPWUTKMSA-N 2 1 290.476 3.466 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662429 419178897 /nfs/dbraw/zinc/17/88/97/419178897.db2.gz KDKMVVDCDSZGLG-HIFRSBDPSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662429 419178901 /nfs/dbraw/zinc/17/89/01/419178901.db2.gz KDKMVVDCDSZGLG-HIFRSBDPSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662429 419178903 /nfs/dbraw/zinc/17/89/03/419178903.db2.gz KDKMVVDCDSZGLG-HIFRSBDPSA-N 2 1 274.399 3.086 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCc3ccccc3C1)C2 ZINC000660662409 419179980 /nfs/dbraw/zinc/17/99/80/419179980.db2.gz JWELRCOKVGCRNE-YLJYHZDGSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCc3ccccc3C1)C2 ZINC000660662409 419179981 /nfs/dbraw/zinc/17/99/81/419179981.db2.gz JWELRCOKVGCRNE-YLJYHZDGSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCc3ccccc3C1)C2 ZINC000660662409 419179984 /nfs/dbraw/zinc/17/99/84/419179984.db2.gz JWELRCOKVGCRNE-YLJYHZDGSA-N 2 1 298.474 3.209 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666082899 419188475 /nfs/dbraw/zinc/18/84/75/419188475.db2.gz QWILRLCLAGBUKU-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000657325035 419251126 /nfs/dbraw/zinc/25/11/26/419251126.db2.gz JXVVXDPVHBGIHY-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657337044 419253323 /nfs/dbraw/zinc/25/33/23/419253323.db2.gz GJKUTDJGZWFAAU-CYBMUJFWSA-N 2 1 289.448 3.118 20 0 CGADMP CC(C)[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1F ZINC000661485353 419263781 /nfs/dbraw/zinc/26/37/81/419263781.db2.gz PBYPFVDMJFLMJC-QGZVFWFLSA-N 2 1 289.398 3.479 20 0 CGADMP C[C@]1(C[N@H+]2CCCC3(CCCC3)CC2)CC[NH2+]C1 ZINC000656787877 419219747 /nfs/dbraw/zinc/21/97/47/419219747.db2.gz YADCJKWYUDFGQY-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000657182738 419229146 /nfs/dbraw/zinc/22/91/46/419229146.db2.gz NATQZCVCNKURFX-KGLIPLIRSA-N 2 1 266.454 3.001 20 0 CGADMP Cc1nc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000657182606 419229663 /nfs/dbraw/zinc/22/96/63/419229663.db2.gz BFSNIZKDQOYZGE-SMDDNHRTSA-N 2 1 281.469 3.142 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC/C=C/c1ccc(F)cc1 ZINC000657523091 419296846 /nfs/dbraw/zinc/29/68/46/419296846.db2.gz DFOHAVFTZKZCQE-DWTRPJMMSA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC/C=C/c1ccc(F)cc1 ZINC000657523091 419296849 /nfs/dbraw/zinc/29/68/49/419296849.db2.gz DFOHAVFTZKZCQE-DWTRPJMMSA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@H]1CNC/C=C/c1ccccc1 ZINC000657525576 419297802 /nfs/dbraw/zinc/29/78/02/419297802.db2.gz STCPQCFWQDRQON-JCVNQNCUSA-N 2 1 258.409 3.162 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC/C=C/c1ccccc1 ZINC000657525576 419297804 /nfs/dbraw/zinc/29/78/04/419297804.db2.gz STCPQCFWQDRQON-JCVNQNCUSA-N 2 1 258.409 3.162 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657716383 419332349 /nfs/dbraw/zinc/33/23/49/419332349.db2.gz HYTSZCVRBWVGHK-UHFFFAOYSA-N 2 1 295.377 3.205 20 0 CGADMP CCOC1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000657848628 419387585 /nfs/dbraw/zinc/38/75/85/419387585.db2.gz SWXGXURZHGLJAO-XNIRIUNOSA-N 2 1 282.472 3.044 20 0 CGADMP CCOC1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000657848628 419387590 /nfs/dbraw/zinc/38/75/90/419387590.db2.gz SWXGXURZHGLJAO-XNIRIUNOSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCC1CC[NH2+]CC1)CC3 ZINC000662305623 419387855 /nfs/dbraw/zinc/38/78/55/419387855.db2.gz IOQCXMHJVWPBDK-UHFFFAOYSA-N 2 1 297.446 3.224 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657857722 419390153 /nfs/dbraw/zinc/39/01/53/419390153.db2.gz CGCJBFZRZCTZTQ-GHMZBOCLSA-N 2 1 271.355 3.010 20 0 CGADMP c1ccc(C23CC(C2)C[N@@H+]3CCCC2CC[NH2+]CC2)cc1 ZINC000662327412 419392172 /nfs/dbraw/zinc/39/21/72/419392172.db2.gz IQQWEWRKAFXXTC-UHFFFAOYSA-N 2 1 284.447 3.387 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657871658 419396800 /nfs/dbraw/zinc/39/68/00/419396800.db2.gz WDVAEKNAXHMCHB-MNOVXSKESA-N 2 1 273.371 3.097 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000657876816 419399100 /nfs/dbraw/zinc/39/91/00/419399100.db2.gz NQYAKWNVVPNCNG-QWHCGFSZSA-N 2 1 289.448 3.289 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2ccncc2s1 ZINC000657876816 419399103 /nfs/dbraw/zinc/39/91/03/419399103.db2.gz NQYAKWNVVPNCNG-QWHCGFSZSA-N 2 1 289.448 3.289 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662375959 419412967 /nfs/dbraw/zinc/41/29/67/419412967.db2.gz DWNHAJKLWCALAG-JYJNAYRXSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662375959 419412977 /nfs/dbraw/zinc/41/29/77/419412977.db2.gz DWNHAJKLWCALAG-JYJNAYRXSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662375959 419412984 /nfs/dbraw/zinc/41/29/84/419412984.db2.gz DWNHAJKLWCALAG-JYJNAYRXSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CC[NH2+]CC1 ZINC000662237292 419370455 /nfs/dbraw/zinc/37/04/55/419370455.db2.gz HXRZGSHVBFLYGN-UHFFFAOYSA-N 2 1 260.425 3.168 20 0 CGADMP C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000662243180 419370662 /nfs/dbraw/zinc/37/06/62/419370662.db2.gz GJYZJWJIAWDZRN-RISCZKNCSA-N 2 1 284.856 3.101 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000662253076 419372581 /nfs/dbraw/zinc/37/25/81/419372581.db2.gz UNTZYBXZBXLZPY-UHFFFAOYSA-N 2 1 272.436 3.485 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000657835881 419378309 /nfs/dbraw/zinc/37/83/09/419378309.db2.gz OYJGBOCEXDYPCC-QLFBSQMISA-N 2 1 270.486 3.125 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCCSCC1)[N@H+]1CCCC[C@H]1C ZINC000657835881 419378316 /nfs/dbraw/zinc/37/83/16/419378316.db2.gz OYJGBOCEXDYPCC-QLFBSQMISA-N 2 1 270.486 3.125 20 0 CGADMP Fc1cccc2c1C[N@@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662276616 419381142 /nfs/dbraw/zinc/38/11/42/419381142.db2.gz KERXBOBJIIGNOJ-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000657842369 419382983 /nfs/dbraw/zinc/38/29/83/419382983.db2.gz BAFOEVYKDQSAJU-KGLIPLIRSA-N 2 1 287.407 3.210 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000657842369 419382988 /nfs/dbraw/zinc/38/29/88/419382988.db2.gz BAFOEVYKDQSAJU-KGLIPLIRSA-N 2 1 287.407 3.210 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCSCC2)C1 ZINC000657843771 419382998 /nfs/dbraw/zinc/38/29/98/419382998.db2.gz HJFZOBCNJGFECZ-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCSCC2)C1 ZINC000657843771 419383004 /nfs/dbraw/zinc/38/30/04/419383004.db2.gz HJFZOBCNJGFECZ-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP CC(C)[N@H+](Cc1cccc2c1CC[NH2+]C2)CC1CCC1 ZINC000662283946 419386195 /nfs/dbraw/zinc/38/61/95/419386195.db2.gz WGZHJZTUWFDECJ-UHFFFAOYSA-N 2 1 272.436 3.343 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccncc2s1 ZINC000657939222 419455278 /nfs/dbraw/zinc/45/52/78/419455278.db2.gz VWQNRYPJKQZIHC-LBPRGKRZSA-N 2 1 287.432 3.209 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000663498916 419637780 /nfs/dbraw/zinc/63/77/80/419637780.db2.gz TWZXWUDOCWMJJX-CYBMUJFWSA-N 2 1 275.223 3.456 20 0 CGADMP Fc1ccc2c(N[C@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000663428727 419601826 /nfs/dbraw/zinc/60/18/26/419601826.db2.gz QWPARWBXDNRCCI-LBPRGKRZSA-N 2 1 271.339 3.023 20 0 CGADMP Fc1ccc2c(N[C@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000663428727 419601830 /nfs/dbraw/zinc/60/18/30/419601830.db2.gz QWPARWBXDNRCCI-LBPRGKRZSA-N 2 1 271.339 3.023 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000663510103 419640097 /nfs/dbraw/zinc/64/00/97/419640097.db2.gz CDSDFLAISGXQFH-NJZAAPMLSA-N 2 1 266.816 3.174 20 0 CGADMP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466362 419617778 /nfs/dbraw/zinc/61/77/78/419617778.db2.gz RSQJJBPFDLRUAH-IAGOWNOFSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466790 419622645 /nfs/dbraw/zinc/62/26/45/419622645.db2.gz AFWJYQKMYLASEY-GDBMZVCRSA-N 2 1 292.492 3.391 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000658177413 419646319 /nfs/dbraw/zinc/64/63/19/419646319.db2.gz PSARTHPVSQAEMV-WMZOPIPTSA-N 2 1 274.452 3.166 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322950284 260030734 /nfs/dbraw/zinc/03/07/34/260030734.db2.gz SMWXGYQRHOXDQF-WOONOFOCSA-N 2 1 250.430 3.026 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000180203999 260095643 /nfs/dbraw/zinc/09/56/43/260095643.db2.gz FYPMTTNNRUKFPJ-INIZCTEOSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000180203999 260095645 /nfs/dbraw/zinc/09/56/45/260095645.db2.gz FYPMTTNNRUKFPJ-INIZCTEOSA-N 2 1 290.426 3.442 20 0 CGADMP C1=C(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000184574841 263132680 /nfs/dbraw/zinc/13/26/80/263132680.db2.gz AOUNWJNLVUGXDI-IAGOWNOFSA-N 2 1 262.441 3.483 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044535471 270036553 /nfs/dbraw/zinc/03/65/53/270036553.db2.gz XNHKNAMLTXDEDZ-RDJZCZTQSA-N 2 1 260.425 3.459 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000519197369 265363179 /nfs/dbraw/zinc/36/31/79/265363179.db2.gz YHBQLDPDHSPAAC-UHFFFAOYSA-N 2 1 260.425 3.338 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000519197369 265363181 /nfs/dbraw/zinc/36/31/81/265363181.db2.gz YHBQLDPDHSPAAC-UHFFFAOYSA-N 2 1 260.425 3.338 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322872617 270094171 /nfs/dbraw/zinc/09/41/71/270094171.db2.gz YSOHPBHVQNQATK-LUGNKYPNSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459561408 270096533 /nfs/dbraw/zinc/09/65/33/270096533.db2.gz LSXGLDHAGLUDSR-FAEJEUNOSA-N 2 1 274.452 3.425 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459561408 270096534 /nfs/dbraw/zinc/09/65/34/270096534.db2.gz LSXGLDHAGLUDSR-FAEJEUNOSA-N 2 1 274.452 3.425 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000520229336 270098664 /nfs/dbraw/zinc/09/86/64/270098664.db2.gz MANUOBPSJQRFIJ-INIZCTEOSA-N 2 1 260.425 3.023 20 0 CGADMP C[C@H](CNc1cc[nH+]c2ccccc12)[N@H+]1CCC[C@H](C)C1 ZINC000521090916 270100433 /nfs/dbraw/zinc/10/04/33/270100433.db2.gz ZTTLHDPYVCYUIJ-LSDHHAIUSA-N 2 1 283.419 3.189 20 0 CGADMP CCc1c(C)[nH+]c2ccccc2c1NCC1=CC[N@@H+](C)CC1 ZINC000522042609 270104032 /nfs/dbraw/zinc/10/40/32/270104032.db2.gz VSPMPRZAYAPIPR-UHFFFAOYSA-N 2 1 295.430 3.201 20 0 CGADMP c1ccc2c(c1)CCC(C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000527733380 270133078 /nfs/dbraw/zinc/13/30/78/270133078.db2.gz GHKYEINWGXPOTP-WOJBJXKFSA-N 2 1 298.474 3.398 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC12CC2 ZINC000527844393 270139119 /nfs/dbraw/zinc/13/91/19/270139119.db2.gz BMTDSQGOLJJOGM-XUWVNRHRSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527892518 270142570 /nfs/dbraw/zinc/14/25/70/270142570.db2.gz GBMOKLURAAWJHX-JQHSSLGASA-N 2 1 284.447 3.287 20 0 CGADMP Cc1ccncc1[C@H](C)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528014259 270151631 /nfs/dbraw/zinc/15/16/31/270151631.db2.gz UIQQFGZBNIJDRD-GOEBONIOSA-N 2 1 273.424 3.058 20 0 CGADMP C/C(Cl)=C/C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528441732 270165755 /nfs/dbraw/zinc/16/57/55/270165755.db2.gz QWLIRDKWCISEEL-YMOXITQKSA-N 2 1 270.848 3.372 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC(F)(F)C1 ZINC000529547748 270183722 /nfs/dbraw/zinc/18/37/22/270183722.db2.gz IOJVDBJBECJXPH-HLVVYCRESA-N 2 1 272.383 3.025 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC(F)(F)C1 ZINC000529547748 270183723 /nfs/dbraw/zinc/18/37/23/270183723.db2.gz IOJVDBJBECJXPH-HLVVYCRESA-N 2 1 272.383 3.025 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529546103 270183736 /nfs/dbraw/zinc/18/37/36/270183736.db2.gz UDTHYCZIZVUNLR-ZIAGYGMSSA-N 2 1 288.426 3.378 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)[C@H]1CCCC[NH2+]1 ZINC000530215255 270195593 /nfs/dbraw/zinc/19/55/93/270195593.db2.gz FZEOIEPAZIJINK-MJQUHVBXSA-N 2 1 290.838 3.098 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530226272 270196856 /nfs/dbraw/zinc/19/68/56/270196856.db2.gz ZGCMTZVCAUIPJD-IAGOWNOFSA-N 2 1 270.420 3.320 20 0 CGADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530354798 270199292 /nfs/dbraw/zinc/19/92/92/270199292.db2.gz CGVGETJDYYXURA-QZTJIDSGSA-N 2 1 283.419 3.197 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCCC2)C[C@@H]1C ZINC000530663077 270201794 /nfs/dbraw/zinc/20/17/94/270201794.db2.gz GJFSFMYOYGCHJW-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CCCC2)C[C@@H]1C ZINC000530663077 270201795 /nfs/dbraw/zinc/20/17/95/270201795.db2.gz GJFSFMYOYGCHJW-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CCCC2)C[C@@H]1C ZINC000530663077 270201796 /nfs/dbraw/zinc/20/17/96/270201796.db2.gz GJFSFMYOYGCHJW-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000530513204 270200657 /nfs/dbraw/zinc/20/06/57/270200657.db2.gz RPVXBOZCQCWLOZ-FUHWJXTLSA-N 2 1 283.419 3.063 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000530905534 270203921 /nfs/dbraw/zinc/20/39/21/270203921.db2.gz YVCRFYKHSVCSNQ-IEODJVTJSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000530905534 270203922 /nfs/dbraw/zinc/20/39/22/270203922.db2.gz YVCRFYKHSVCSNQ-IEODJVTJSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000530905534 270203923 /nfs/dbraw/zinc/20/39/23/270203923.db2.gz YVCRFYKHSVCSNQ-IEODJVTJSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000530905534 270203924 /nfs/dbraw/zinc/20/39/24/270203924.db2.gz YVCRFYKHSVCSNQ-IEODJVTJSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](CC(C)C[N@H+](CC)CC1CC1)CC1CC1 ZINC000533304547 270222970 /nfs/dbraw/zinc/22/29/70/270222970.db2.gz AXYKMXMSUOPFRH-UHFFFAOYSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CCCC1 ZINC000282104088 273791861 /nfs/dbraw/zinc/79/18/61/273791861.db2.gz ZOMLMYRDXVNACE-CQSZACIVSA-N 2 1 297.446 3.099 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516758254 274151092 /nfs/dbraw/zinc/15/10/92/274151092.db2.gz WRHRGPYAHRBTMC-KEYYUXOJSA-N 2 1 288.435 3.145 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516758254 274151094 /nfs/dbraw/zinc/15/10/94/274151094.db2.gz WRHRGPYAHRBTMC-KEYYUXOJSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423379368 274217017 /nfs/dbraw/zinc/21/70/17/274217017.db2.gz XJZSXFUHXMERNE-GXFFZTMASA-N 2 1 260.406 3.216 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1c[nH+]ccc1N ZINC000335513027 274526923 /nfs/dbraw/zinc/52/69/23/274526923.db2.gz LQAOSHGRXOHFFO-GTNSWQLSSA-N 2 1 285.366 3.361 20 0 CGADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336253516 275065622 /nfs/dbraw/zinc/06/56/22/275065622.db2.gz WXMZLDHJZGITSS-INIZCTEOSA-N 2 1 274.408 3.264 20 0 CGADMP c1ccc(C2CCC(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000414736587 275066904 /nfs/dbraw/zinc/06/69/04/275066904.db2.gz MWXCPODYWKJXCS-XPYVTTBUSA-N 2 1 284.447 3.112 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000278978596 275875554 /nfs/dbraw/zinc/87/55/54/275875554.db2.gz OLXNTNZNLIASBR-UKRRQHHQSA-N 2 1 299.418 3.342 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000353970316 276009316 /nfs/dbraw/zinc/00/93/16/276009316.db2.gz CRVOWSZKTVLOQV-OWCLPIDISA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000353970316 276009317 /nfs/dbraw/zinc/00/93/17/276009317.db2.gz CRVOWSZKTVLOQV-OWCLPIDISA-N 2 1 250.430 3.029 20 0 CGADMP CC(C[NH+]1CCC[C@H](C)C1)C[N@H+]1CCC[C@H](C)C1 ZINC000357745359 276093370 /nfs/dbraw/zinc/09/33/70/276093370.db2.gz RZRLYAOAKPESKI-GJZGRUSLSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000093692886 276106392 /nfs/dbraw/zinc/10/63/92/276106392.db2.gz PAWDRWJKMMMPTF-HOTGVXAUSA-N 2 1 250.430 3.006 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414930226 276106599 /nfs/dbraw/zinc/10/65/99/276106599.db2.gz PPMWBIXDINYEFE-WXRRBKDZSA-N 2 1 292.389 3.475 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757927 276109461 /nfs/dbraw/zinc/10/94/61/276109461.db2.gz PAWDRWJKMMMPTF-HZPDHXFCSA-N 2 1 250.430 3.006 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCN(C)c3ccccc32)CC1 ZINC000334579891 276151961 /nfs/dbraw/zinc/15/19/61/276151961.db2.gz OUMSKZLMESVIPN-KRWDZBQOSA-N 2 1 287.451 3.032 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424294391 276205979 /nfs/dbraw/zinc/20/59/79/276205979.db2.gz QCBBMQDDXRGTOA-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000353145194 276260386 /nfs/dbraw/zinc/26/03/86/276260386.db2.gz WGAMVMQPBYRNCR-RCCFBDPRSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000353145194 276260387 /nfs/dbraw/zinc/26/03/87/276260387.db2.gz WGAMVMQPBYRNCR-RCCFBDPRSA-N 2 1 272.436 3.254 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC000464772696 276332176 /nfs/dbraw/zinc/33/21/76/276332176.db2.gz FYXRAIPNOKXXNX-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000464772696 276332177 /nfs/dbraw/zinc/33/21/77/276332177.db2.gz FYXRAIPNOKXXNX-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)CC(C)C ZINC000507471255 276340593 /nfs/dbraw/zinc/34/05/93/276340593.db2.gz OTWVAYBPCJKAKO-IKGGRYGDSA-N 2 1 284.488 3.148 20 0 CGADMP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000247053468 276358101 /nfs/dbraw/zinc/35/81/01/276358101.db2.gz MHAMEZADVAJWRI-BHYGNILZSA-N 2 1 282.472 3.044 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423313715 276402932 /nfs/dbraw/zinc/40/29/32/276402932.db2.gz GBMPJMXDJQZCDI-RISCZKNCSA-N 2 1 264.438 3.187 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)[NH+]1CCCC1 ZINC000364727444 276626876 /nfs/dbraw/zinc/62/68/76/276626876.db2.gz FPBMNTBESJUSCM-BSDSXHPESA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000037256146 277031322 /nfs/dbraw/zinc/03/13/22/277031322.db2.gz SYZRUTWKSKKHMF-QZTJIDSGSA-N 2 1 272.436 3.397 20 0 CGADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000421814089 277189773 /nfs/dbraw/zinc/18/97/73/277189773.db2.gz INNUBZUJBZRHQO-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP COCC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccco1 ZINC000423046627 277240144 /nfs/dbraw/zinc/24/01/44/277240144.db2.gz UFLVGVHBSZSBLY-XHSDSOJGSA-N 2 1 294.439 3.258 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000429057936 277351014 /nfs/dbraw/zinc/35/10/14/277351014.db2.gz BYNQTXPPRJBRQU-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)CC[N@H+]1C ZINC000495025783 278025989 /nfs/dbraw/zinc/02/59/89/278025989.db2.gz IDCRHYOIBMKIIL-MGPQQGTHSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+]C2CC(C)(C)C2)([NH+](C)C)C1 ZINC000395289778 288007990 /nfs/dbraw/zinc/00/79/90/288007990.db2.gz JJMISSJYDCREDY-CJNGLKHVSA-N 2 1 252.446 3.275 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000425385194 278147698 /nfs/dbraw/zinc/14/76/98/278147698.db2.gz REBSSLZFSDLHQO-BZUAXINKSA-N 2 1 282.497 3.267 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000425385194 278147701 /nfs/dbraw/zinc/14/77/01/278147701.db2.gz REBSSLZFSDLHQO-BZUAXINKSA-N 2 1 282.497 3.267 20 0 CGADMP Cc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)ccc2n1 ZINC000397302747 288022665 /nfs/dbraw/zinc/02/26/65/288022665.db2.gz GRLHRRLHROYMSG-XUWXXGDYSA-N 2 1 297.446 3.348 20 0 CGADMP CC(C)(C)C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000311163063 278297339 /nfs/dbraw/zinc/29/73/39/278297339.db2.gz MWLIJHKXHMSDQD-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352540137 278298113 /nfs/dbraw/zinc/29/81/13/278298113.db2.gz HNZRSYZOGUGHNL-RDJZCZTQSA-N 2 1 260.425 3.069 20 0 CGADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000420371050 278333859 /nfs/dbraw/zinc/33/38/59/278333859.db2.gz KBGKXXBXUIXWLO-OLZOCXBDSA-N 2 1 292.389 3.287 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nccc2ccccc21 ZINC000290033772 278341253 /nfs/dbraw/zinc/34/12/53/278341253.db2.gz BCJBZJPNTNIQLO-CQSZACIVSA-N 2 1 281.403 3.147 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000359028757 288079720 /nfs/dbraw/zinc/07/97/20/288079720.db2.gz KBNKXRYRKOPTLY-CSMYWGQOSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000359028757 288079722 /nfs/dbraw/zinc/07/97/22/288079722.db2.gz KBNKXRYRKOPTLY-CSMYWGQOSA-N 2 1 276.399 3.133 20 0 CGADMP Cc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000459387237 288087150 /nfs/dbraw/zinc/08/71/50/288087150.db2.gz MRTNPIOHZICNCN-UHFFFAOYSA-N 2 1 272.436 3.062 20 0 CGADMP CC(C)(C)OC1CC(CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459516324 288095861 /nfs/dbraw/zinc/09/58/61/288095861.db2.gz WERHMAHITIGWCT-UHFFFAOYSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334401886 279027324 /nfs/dbraw/zinc/02/73/24/279027324.db2.gz NWOZQZNSGKIOTF-HNNXBMFYSA-N 2 1 296.418 3.307 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000508193375 279094981 /nfs/dbraw/zinc/09/49/81/279094981.db2.gz IMXHTGYJUKKYKO-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227534786 279101675 /nfs/dbraw/zinc/10/16/75/279101675.db2.gz WDZHDMXBFLZQAO-BMGDILEWSA-N 2 1 289.467 3.231 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000351948828 279181856 /nfs/dbraw/zinc/18/18/56/279181856.db2.gz ITIDZTZTIUCVPL-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3o2)C1 ZINC000519168927 288133882 /nfs/dbraw/zinc/13/38/82/288133882.db2.gz UTCBYNDHNVWCIS-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168927 288133885 /nfs/dbraw/zinc/13/38/85/288133885.db2.gz UTCBYNDHNVWCIS-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168927 288133888 /nfs/dbraw/zinc/13/38/88/288133888.db2.gz UTCBYNDHNVWCIS-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP CCc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000520675406 288135446 /nfs/dbraw/zinc/13/54/46/288135446.db2.gz RVOOICXPYPPVDC-CRAIPNDOSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000520675406 288135448 /nfs/dbraw/zinc/13/54/48/288135448.db2.gz RVOOICXPYPPVDC-CRAIPNDOSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000520675406 288135449 /nfs/dbraw/zinc/13/54/49/288135449.db2.gz RVOOICXPYPPVDC-CRAIPNDOSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000520675406 288135450 /nfs/dbraw/zinc/13/54/50/288135450.db2.gz RVOOICXPYPPVDC-CRAIPNDOSA-N 2 1 274.452 3.206 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC23CCCC3)C[C@H](C)O1 ZINC000189094818 288160470 /nfs/dbraw/zinc/16/04/70/288160470.db2.gz JKIFDTIKWMFLKF-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391969 280223473 /nfs/dbraw/zinc/22/34/73/280223473.db2.gz CPORKUXKBBVSLK-ZNMIVQPWSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376675272 280329453 /nfs/dbraw/zinc/32/94/53/280329453.db2.gz XYSZENXFSNATSV-NNXHMXCWSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000354085975 280333276 /nfs/dbraw/zinc/33/32/76/280333276.db2.gz LMBZCEYBGJZZBN-VYDXJSESSA-N 2 1 293.430 3.380 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000187755015 280838557 /nfs/dbraw/zinc/83/85/57/280838557.db2.gz LZVYHZLVPZCAIN-GDBMZVCRSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176375 288294476 /nfs/dbraw/zinc/29/44/76/288294476.db2.gz AQTVTTAKJQHQOB-CZUORRHYSA-N 2 1 276.399 3.021 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000530407503 288305661 /nfs/dbraw/zinc/30/56/61/288305661.db2.gz RHRVAUVZYQCLBT-MRXNPFEDSA-N 2 1 289.810 3.283 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249161574 281285501 /nfs/dbraw/zinc/28/55/01/281285501.db2.gz ZXYNMRGACFPDIR-ZOBUZTSGSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249161574 281285502 /nfs/dbraw/zinc/28/55/02/281285502.db2.gz ZXYNMRGACFPDIR-ZOBUZTSGSA-N 2 1 286.419 3.035 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000530548806 288309419 /nfs/dbraw/zinc/30/94/19/288309419.db2.gz MEJMQIFOOWZCJD-UHFFFAOYSA-N 2 1 278.465 3.371 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000532442752 288360997 /nfs/dbraw/zinc/36/09/97/288360997.db2.gz KKFYOSUFPITAEH-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CCCC1 ZINC000474033290 282044248 /nfs/dbraw/zinc/04/42/48/282044248.db2.gz KZKCTDQFOYYKSR-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1 ZINC000548486944 289008713 /nfs/dbraw/zinc/00/87/13/289008713.db2.gz HBXCWBAFZHAESH-UHFFFAOYSA-N 2 1 289.467 3.251 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000549845500 289056414 /nfs/dbraw/zinc/05/64/14/289056414.db2.gz LTJWAMZQRHKDTH-GJZGRUSLSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000042781805 289097419 /nfs/dbraw/zinc/09/74/19/289097419.db2.gz BFQWWAHCDOJFBL-GFCCVEGCSA-N 2 1 264.438 3.057 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000552033226 289151866 /nfs/dbraw/zinc/15/18/66/289151866.db2.gz RJKAFMXNJKUKKW-WCVJEAGWSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000552033226 289151867 /nfs/dbraw/zinc/15/18/67/289151867.db2.gz RJKAFMXNJKUKKW-WCVJEAGWSA-N 2 1 252.446 3.131 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000552051694 289155764 /nfs/dbraw/zinc/15/57/64/289155764.db2.gz BLEYWDMUSCYJOL-GJZGRUSLSA-N 2 1 278.440 3.033 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000552051694 289155766 /nfs/dbraw/zinc/15/57/66/289155766.db2.gz BLEYWDMUSCYJOL-GJZGRUSLSA-N 2 1 278.440 3.033 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)[C@H]2CCC[C@@H]21 ZINC000552244472 289174573 /nfs/dbraw/zinc/17/45/73/289174573.db2.gz BKCUPHDWFYOJNF-PMPSAXMXSA-N 2 1 264.457 3.418 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000552256284 289175986 /nfs/dbraw/zinc/17/59/86/289175986.db2.gz BLEYWDMUSCYJOL-LSDHHAIUSA-N 2 1 278.440 3.033 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000552256284 289175988 /nfs/dbraw/zinc/17/59/88/289175988.db2.gz BLEYWDMUSCYJOL-LSDHHAIUSA-N 2 1 278.440 3.033 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000552280426 289177899 /nfs/dbraw/zinc/17/78/99/289177899.db2.gz GTQOKOLGWZTPGC-OIISXLGYSA-N 2 1 266.473 3.377 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414651354 289215687 /nfs/dbraw/zinc/21/56/87/289215687.db2.gz CFQJJOBJSLTYNJ-FCGDIQPGSA-N 2 1 284.447 3.323 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414651354 289215688 /nfs/dbraw/zinc/21/56/88/289215688.db2.gz CFQJJOBJSLTYNJ-FCGDIQPGSA-N 2 1 284.447 3.323 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)[C@H]2CCC[C@H]21 ZINC000556254095 289382007 /nfs/dbraw/zinc/38/20/07/289382007.db2.gz LSTCRMJTVCZVBD-OWCLPIDISA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000513696906 290226077 /nfs/dbraw/zinc/22/60/77/290226077.db2.gz GLFHQWIJSCTJPJ-DGXTUMSLSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248006819 290230213 /nfs/dbraw/zinc/23/02/13/290230213.db2.gz KXKWLHDPUULFTN-MRRJBJDNSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248006819 290230217 /nfs/dbraw/zinc/23/02/17/290230217.db2.gz KXKWLHDPUULFTN-MRRJBJDNSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248006819 290230221 /nfs/dbraw/zinc/23/02/21/290230221.db2.gz KXKWLHDPUULFTN-MRRJBJDNSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248006819 290230225 /nfs/dbraw/zinc/23/02/25/290230225.db2.gz KXKWLHDPUULFTN-MRRJBJDNSA-N 2 1 294.389 3.442 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000576280090 335181926 /nfs/dbraw/zinc/18/19/26/335181926.db2.gz RNGUKTWPTVZLRN-ROUUACIJSA-N 2 1 272.436 3.256 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423391696 297108264 /nfs/dbraw/zinc/10/82/64/297108264.db2.gz KYAPMYFDJVUFMO-URBCHYCLSA-N 2 1 282.478 3.261 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000423268277 528519811 /nfs/dbraw/zinc/51/98/11/528519811.db2.gz FURGCXFYFKEOPD-BXUZGUMPSA-N 2 1 254.805 3.364 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2ccccn2)c1 ZINC000423026639 302033897 /nfs/dbraw/zinc/03/38/97/302033897.db2.gz QKJXPWMZAAHVBS-MPGHIAIKSA-N 2 1 283.419 3.195 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000184493018 302383146 /nfs/dbraw/zinc/38/31/46/302383146.db2.gz VUVFRKVJCWPESL-HNNXBMFYSA-N 2 1 275.440 3.163 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000415066998 303417979 /nfs/dbraw/zinc/41/79/79/303417979.db2.gz OTCNEXXRKHNXFD-XQQFMLRXSA-N 2 1 278.362 3.215 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000387660106 327803367 /nfs/dbraw/zinc/80/33/67/327803367.db2.gz MXMPHCFLIGTZOQ-INIZCTEOSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(CC)s1 ZINC000583051859 329303689 /nfs/dbraw/zinc/30/36/89/329303689.db2.gz IYMLJSSGVCEGLQ-UHFFFAOYSA-N 2 1 268.470 3.474 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000563654061 322005473 /nfs/dbraw/zinc/00/54/73/322005473.db2.gz BDULEEITWMNHHU-XYJFISCASA-N 2 1 289.467 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000563654061 322005475 /nfs/dbraw/zinc/00/54/75/322005475.db2.gz BDULEEITWMNHHU-XYJFISCASA-N 2 1 289.467 3.426 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000563944454 322015928 /nfs/dbraw/zinc/01/59/28/322015928.db2.gz KAPCRVZJIKMDIN-XJKSGUPXSA-N 2 1 278.465 3.275 20 0 CGADMP Cc1cc(C)cc([C@H]2CC[N@H+](CCCc3cncn3C)C2)c1 ZINC000565167292 322064508 /nfs/dbraw/zinc/06/45/08/322064508.db2.gz VGGSGDJNWWHTGN-KRWDZBQOSA-N 2 1 297.446 3.459 20 0 CGADMP Cc1cc(C)cc([C@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000565167292 322064509 /nfs/dbraw/zinc/06/45/09/322064509.db2.gz VGGSGDJNWWHTGN-KRWDZBQOSA-N 2 1 297.446 3.459 20 0 CGADMP Cc1cc(C)cc([C@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000565167292 322064511 /nfs/dbraw/zinc/06/45/11/322064511.db2.gz VGGSGDJNWWHTGN-KRWDZBQOSA-N 2 1 297.446 3.459 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccc(F)c(F)c2)CCN1C ZINC000565391532 322075705 /nfs/dbraw/zinc/07/57/05/322075705.db2.gz YAYYDZYPIYUSQM-HAAFXLEYSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@H](N(C)C/C=C\c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000565391532 322075708 /nfs/dbraw/zinc/07/57/08/322075708.db2.gz YAYYDZYPIYUSQM-HAAFXLEYSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@H](N(C)C/C=C\c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000565391532 322075711 /nfs/dbraw/zinc/07/57/11/322075711.db2.gz YAYYDZYPIYUSQM-HAAFXLEYSA-N 2 1 294.389 3.393 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000565862940 322094626 /nfs/dbraw/zinc/09/46/26/322094626.db2.gz LERNRZONSRFZJS-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000565862940 322094627 /nfs/dbraw/zinc/09/46/27/322094627.db2.gz LERNRZONSRFZJS-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c[nH+]ccc1N ZINC000565886276 322095379 /nfs/dbraw/zinc/09/53/79/322095379.db2.gz KVCHMLATIHVVRY-XDQVBPFNSA-N 2 1 259.397 3.114 20 0 CGADMP C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566416363 322121551 /nfs/dbraw/zinc/12/15/51/322121551.db2.gz LEDXQDVHKCHBQD-AAEUAGOBSA-N 2 1 289.345 3.016 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c1C ZINC000566417288 322121571 /nfs/dbraw/zinc/12/15/71/322121571.db2.gz WZCHRVQWSCUOSQ-OAHLLOKOSA-N 2 1 271.408 3.320 20 0 CGADMP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000566793491 322138512 /nfs/dbraw/zinc/13/85/12/322138512.db2.gz MAISMYIIGLTPOW-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000566793491 322138514 /nfs/dbraw/zinc/13/85/14/322138514.db2.gz MAISMYIIGLTPOW-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000567226647 322155190 /nfs/dbraw/zinc/15/51/90/322155190.db2.gz BFPLXVXBEIVJSB-CYBMUJFWSA-N 2 1 264.413 3.172 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)COC)CC1)CC1CC1 ZINC000569103171 322234638 /nfs/dbraw/zinc/23/46/38/322234638.db2.gz QPSRLWMMMGUQHV-MRXNPFEDSA-N 2 1 296.499 3.103 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000569635861 322252726 /nfs/dbraw/zinc/25/27/26/322252726.db2.gz JREZMDAONUQVKE-OWCLPIDISA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000569635861 322252728 /nfs/dbraw/zinc/25/27/28/322252728.db2.gz JREZMDAONUQVKE-OWCLPIDISA-N 2 1 252.446 3.131 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H](C[NH3+])CC(C)C ZINC000570035576 322263344 /nfs/dbraw/zinc/26/33/44/322263344.db2.gz KUUKDZOFSNPXNF-BBRMVZONSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@H](c1ccco1)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000570823138 322283086 /nfs/dbraw/zinc/28/30/86/322283086.db2.gz IIUSSWWGWNWDJF-CYBMUJFWSA-N 2 1 273.380 3.171 20 0 CGADMP C[C@H](c1ccco1)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000570823138 322283087 /nfs/dbraw/zinc/28/30/87/322283087.db2.gz IIUSSWWGWNWDJF-CYBMUJFWSA-N 2 1 273.380 3.171 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000571413818 322298049 /nfs/dbraw/zinc/29/80/49/322298049.db2.gz OGRMATLZBKAPLM-IUODEOHRSA-N 2 1 293.480 3.278 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1C ZINC000571821534 322308479 /nfs/dbraw/zinc/30/84/79/322308479.db2.gz VIFHDADKGQNFGT-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1ccc(C[N@H+]2CC3CCC2(C[NH3+])CC3)cc1C ZINC000571821534 322308480 /nfs/dbraw/zinc/30/84/80/322308480.db2.gz VIFHDADKGQNFGT-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571882566 322310249 /nfs/dbraw/zinc/31/02/49/322310249.db2.gz ILGZOYOZFABHFX-IAGOWNOFSA-N 2 1 276.399 3.352 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1cccc2ccccc21 ZINC000573621575 322397730 /nfs/dbraw/zinc/39/77/30/322397730.db2.gz DXFBZQTYADEKRA-NVXWUHKLSA-N 2 1 298.430 3.420 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH2+]C(C)C ZINC000583928643 326799429 /nfs/dbraw/zinc/79/94/29/326799429.db2.gz NDEHLYHMIUGDPL-MRXNPFEDSA-N 2 1 276.424 3.186 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000583381693 327335038 /nfs/dbraw/zinc/33/50/38/327335038.db2.gz WTVCGSOLSDIJKS-QGZVFWFLSA-N 2 1 290.476 3.374 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000583381693 327335039 /nfs/dbraw/zinc/33/50/39/327335039.db2.gz WTVCGSOLSDIJKS-QGZVFWFLSA-N 2 1 290.476 3.374 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000582666652 329121852 /nfs/dbraw/zinc/12/18/52/329121852.db2.gz YGKNTMWUFGBOIK-OLZOCXBDSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000582666652 329121853 /nfs/dbraw/zinc/12/18/53/329121853.db2.gz YGKNTMWUFGBOIK-OLZOCXBDSA-N 2 1 293.480 3.360 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccnc3ccccc23)C1 ZINC000576670045 335233001 /nfs/dbraw/zinc/23/30/01/335233001.db2.gz MOGBKLYOOLPRLX-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000576703599 335237268 /nfs/dbraw/zinc/23/72/68/335237268.db2.gz XYHDUVIESBZLEF-NVXWUHKLSA-N 2 1 260.425 3.097 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccs2)[C@H]2CCC[C@H]21 ZINC000576774453 335246847 /nfs/dbraw/zinc/24/68/47/335246847.db2.gz SPRZHXKEGGMOMF-OWCLPIDISA-N 2 1 278.465 3.143 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000577029431 335284502 /nfs/dbraw/zinc/28/45/02/335284502.db2.gz QVIASFADZJAORC-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000577029431 335284504 /nfs/dbraw/zinc/28/45/04/335284504.db2.gz QVIASFADZJAORC-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000577032643 335285605 /nfs/dbraw/zinc/28/56/05/335285605.db2.gz UWVKEERVMWVQRZ-HZPDHXFCSA-N 2 1 262.441 3.184 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000577032643 335285606 /nfs/dbraw/zinc/28/56/06/335285606.db2.gz UWVKEERVMWVQRZ-HZPDHXFCSA-N 2 1 262.441 3.184 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000580563861 335286892 /nfs/dbraw/zinc/28/68/92/335286892.db2.gz FXJNMKZWFNRGKP-KKUMJFAQSA-N 2 1 252.446 3.262 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)C1CCCC1 ZINC000577739571 335394840 /nfs/dbraw/zinc/39/48/40/335394840.db2.gz UIRLMGSJCCZUCN-LJQANCHMSA-N 2 1 295.430 3.356 20 0 CGADMP Cc1ccc2cc[nH+]c(N(C)CC[C@H]([NH3+])C(C)C)c2c1 ZINC000581131532 336013050 /nfs/dbraw/zinc/01/30/50/336013050.db2.gz KOLUDFQLOLATQV-INIZCTEOSA-N 2 1 271.408 3.353 20 0 CGADMP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000581248107 336031602 /nfs/dbraw/zinc/03/16/02/336031602.db2.gz MFBCWPJKKAGWOY-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000581248107 336031604 /nfs/dbraw/zinc/03/16/04/336031604.db2.gz MFBCWPJKKAGWOY-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@H]1C ZINC000381459419 336064760 /nfs/dbraw/zinc/06/47/60/336064760.db2.gz VBZQPFIHVBEJSD-LJIZCISZSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@@H]1C ZINC000381459418 336064921 /nfs/dbraw/zinc/06/49/21/336064921.db2.gz VBZQPFIHVBEJSD-JKJDWNRSSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000581397225 336068145 /nfs/dbraw/zinc/06/81/45/336068145.db2.gz MBIOUYOLWWRBSH-LJQANCHMSA-N 2 1 286.463 3.467 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000382112503 336081897 /nfs/dbraw/zinc/08/18/97/336081897.db2.gz SCPORKNCIXRTME-USXIJHARSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581607941 336111552 /nfs/dbraw/zinc/11/15/52/336111552.db2.gz CXBLEMIKNZSTOT-NVXWUHKLSA-N 2 1 258.409 3.132 20 0 CGADMP CSCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000385851117 336157817 /nfs/dbraw/zinc/15/78/17/336157817.db2.gz PXEVUSFROQOMOO-SSHXOBKSSA-N 2 1 282.497 3.125 20 0 CGADMP CSCC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000385836307 336158034 /nfs/dbraw/zinc/15/80/34/336158034.db2.gz MPDNIYQIYKGSPL-UHFFFAOYSA-N 2 1 282.497 3.125 20 0 CGADMP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1C ZINC000422771147 533909147 /nfs/dbraw/zinc/90/91/47/533909147.db2.gz XUDQHTXBINPZOL-IRXDYDNUSA-N 2 1 282.387 3.238 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+][C@H](C)C3)oc21 ZINC000423379817 533911487 /nfs/dbraw/zinc/91/14/87/533911487.db2.gz NJKZJHCSRKKYDW-DYEKYZERSA-N 2 1 288.391 3.233 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000449084190 534259161 /nfs/dbraw/zinc/25/91/61/534259161.db2.gz WUASSODQPNQHSC-WMLDXEAASA-N 2 1 278.440 3.311 20 0 CGADMP CCCO[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000161741449 520284745 /nfs/dbraw/zinc/28/47/45/520284745.db2.gz ODBREWHPLPNJRX-KRWDZBQOSA-N 2 1 293.455 3.253 20 0 CGADMP CCCO[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000161741449 520284752 /nfs/dbraw/zinc/28/47/52/520284752.db2.gz ODBREWHPLPNJRX-KRWDZBQOSA-N 2 1 293.455 3.253 20 0 CGADMP c1ccc(CC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000358345957 534483134 /nfs/dbraw/zinc/48/31/34/534483134.db2.gz QAMVPCOXXJEHBK-ROUUACIJSA-N 2 1 284.447 3.226 20 0 CGADMP Fc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192924321 534517797 /nfs/dbraw/zinc/51/77/97/534517797.db2.gz ZQHIIVQKOQYGLW-GOSISDBHSA-N 2 1 298.405 3.437 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298980 534664582 /nfs/dbraw/zinc/66/45/82/534664582.db2.gz VDXXYGWBIIPRBZ-INIZCTEOSA-N 2 1 272.436 3.267 20 0 CGADMP C[NH+]1CCC([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000334148641 523775655 /nfs/dbraw/zinc/77/56/55/523775655.db2.gz BKFUWHILIBNUJJ-UHFFFAOYSA-N 2 1 296.817 3.409 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000093977899 524246806 /nfs/dbraw/zinc/24/68/06/524246806.db2.gz TXHBPYKKRBYRIG-KBAYOESNSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C)c1cncc(F)c1)[NH+]1CCCCC1 ZINC000184497415 524501746 /nfs/dbraw/zinc/50/17/46/524501746.db2.gz VJAYEDQIZPBWRW-KBPBESRZSA-N 2 1 279.403 3.136 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2ccccc21 ZINC000052062076 524903034 /nfs/dbraw/zinc/90/30/34/524903034.db2.gz SLTSULWZJKGSJM-XJKSGUPXSA-N 2 1 254.377 3.151 20 0 CGADMP C[C@@H]([C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000151368807 526024489 /nfs/dbraw/zinc/02/44/89/526024489.db2.gz FQQHYMMFTPUTLB-HOTGVXAUSA-N 2 1 296.499 3.028 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000513077966 534911250 /nfs/dbraw/zinc/91/12/50/534911250.db2.gz WGAMVMQPBYRNCR-FGTMMUONSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000513077966 534911257 /nfs/dbraw/zinc/91/12/57/534911257.db2.gz WGAMVMQPBYRNCR-FGTMMUONSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000480671493 528172184 /nfs/dbraw/zinc/17/21/84/528172184.db2.gz NAVSJFNHYYLTRQ-YOEHRIQHSA-N 2 1 260.425 3.382 20 0 CGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000173593769 528253882 /nfs/dbraw/zinc/25/38/82/528253882.db2.gz AHDTYIFLQXKDEW-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423367422 528328482 /nfs/dbraw/zinc/32/84/82/528328482.db2.gz MKQQCPREYAXFLF-NWDGAFQWSA-N 2 1 252.427 3.185 20 0 CGADMP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423326244 528329333 /nfs/dbraw/zinc/32/93/33/528329333.db2.gz MKQQCPREYAXFLF-VXGBXAGGSA-N 2 1 252.427 3.185 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423269649 528519131 /nfs/dbraw/zinc/51/91/31/528519131.db2.gz WBBRWHQHQBNJMF-BHYGNILZSA-N 2 1 275.440 3.071 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1OCC ZINC000423276766 528594623 /nfs/dbraw/zinc/59/46/23/528594623.db2.gz OUHXMMKPMAKDBL-UKRRQHHQSA-N 2 1 294.439 3.118 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)C)[C@H](C)C1 ZINC000414189493 528663830 /nfs/dbraw/zinc/66/38/30/528663830.db2.gz SGZDPVITZGIKIX-BRSBDYLESA-N 2 1 296.499 3.148 20 0 CGADMP CCCc1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424290561 528745068 /nfs/dbraw/zinc/74/50/68/528745068.db2.gz MVKDMLQDABNUDD-ZDUSSCGKSA-N 2 1 293.480 3.060 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423296291 528818678 /nfs/dbraw/zinc/81/86/78/528818678.db2.gz GMNVNUOQLJCNAM-CKDBGZEDSA-N 2 1 282.472 3.364 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000423302238 528820650 /nfs/dbraw/zinc/82/06/50/528820650.db2.gz VBGNPILGTILASC-AAEUAGOBSA-N 2 1 268.376 3.002 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000423295516 528821245 /nfs/dbraw/zinc/82/12/45/528821245.db2.gz DYSGJBUTFVPFLC-GJZGRUSLSA-N 2 1 294.439 3.262 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000423300351 528955513 /nfs/dbraw/zinc/95/55/13/528955513.db2.gz RJHNCNJEBRANQQ-MSOLQXFVSA-N 2 1 274.452 3.423 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423304550 528955781 /nfs/dbraw/zinc/95/57/81/528955781.db2.gz YYPXIXIQVPPTNZ-DJIMGWMZSA-N 2 1 275.440 3.215 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423304551 528957723 /nfs/dbraw/zinc/95/77/23/528957723.db2.gz YYPXIXIQVPPTNZ-HYVNUMGLSA-N 2 1 275.440 3.215 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000423298897 528958046 /nfs/dbraw/zinc/95/80/46/528958046.db2.gz PCXUAPKHWXOYKY-IKGGRYGDSA-N 2 1 260.425 3.430 20 0 CGADMP CCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423366452 529018323 /nfs/dbraw/zinc/01/83/23/529018323.db2.gz LNNSAVOSQMVSPZ-GXFFZTMASA-N 2 1 274.330 3.483 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000437758251 529086359 /nfs/dbraw/zinc/08/63/59/529086359.db2.gz AWUHFKXWDHPQTQ-HUUCEWRRSA-N 2 1 278.415 3.078 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423338445 529122529 /nfs/dbraw/zinc/12/25/29/529122529.db2.gz ZEVSGOUJQSOARM-YOEHRIQHSA-N 2 1 272.392 3.457 20 0 CGADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CC1(C)C ZINC000418100560 529190552 /nfs/dbraw/zinc/19/05/52/529190552.db2.gz DQRWKTNBABPKPJ-CHWSQXEVSA-N 2 1 281.469 3.119 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449139990 529202440 /nfs/dbraw/zinc/20/24/40/529202440.db2.gz BONUISGQOJTDMR-ZBFHGGJFSA-N 2 1 264.413 3.065 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449139990 529202441 /nfs/dbraw/zinc/20/24/41/529202441.db2.gz BONUISGQOJTDMR-ZBFHGGJFSA-N 2 1 264.413 3.065 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423290351 529247772 /nfs/dbraw/zinc/24/77/72/529247772.db2.gz ZTFZTMOHXBYPMA-NSHDSACASA-N 2 1 252.427 3.187 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000481030614 534958762 /nfs/dbraw/zinc/95/87/62/534958762.db2.gz ASQALWUWDBDUMX-HBUWYVDXSA-N 2 1 290.426 3.381 20 0 CGADMP CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476978472 535351296 /nfs/dbraw/zinc/35/12/96/535351296.db2.gz CDPCPONNXPVICM-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000481031784 535802828 /nfs/dbraw/zinc/80/28/28/535802828.db2.gz DDWJLTHRLKXBTA-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000481031784 535802829 /nfs/dbraw/zinc/80/28/29/535802829.db2.gz DDWJLTHRLKXBTA-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459519630 536138757 /nfs/dbraw/zinc/13/87/57/536138757.db2.gz YRUMTJQISNLGHF-SFHVURJKSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+]1CCC([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000459712802 536343779 /nfs/dbraw/zinc/34/37/79/536343779.db2.gz NHYWQWHWAOPSQD-UHFFFAOYSA-N 2 1 292.854 3.347 20 0 CGADMP COc1cccc2c(N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc(C)[nH+]c12 ZINC000482010319 536934383 /nfs/dbraw/zinc/93/43/83/536934383.db2.gz WUBUAOLZCNQJKO-KBPBESRZSA-N 2 1 299.418 3.446 20 0 CGADMP COc1cccc2c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc(C)[nH+]c12 ZINC000482010319 536934388 /nfs/dbraw/zinc/93/43/88/536934388.db2.gz WUBUAOLZCNQJKO-KBPBESRZSA-N 2 1 299.418 3.446 20 0 CGADMP c1ccc2ncc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2c1 ZINC000727468803 571750214 /nfs/dbraw/zinc/75/02/14/571750214.db2.gz OQLFIMJXKDYBEP-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000727469638 571749564 /nfs/dbraw/zinc/74/95/64/571749564.db2.gz ZFTSIORUGWSISO-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000052381625 618712752 /nfs/dbraw/zinc/71/27/52/618712752.db2.gz RKIIOMHDUWDFJG-HNNXBMFYSA-N 2 1 260.425 3.417 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000926542223 618731541 /nfs/dbraw/zinc/73/15/41/618731541.db2.gz QLOHJJIYWCDVBS-NPYXIHBLSA-N 2 1 270.420 3.197 20 0 CGADMP [NH3+]C1(CNc2cc[nH+]c3cc(Cl)ccc23)CCC1 ZINC000236212273 618848344 /nfs/dbraw/zinc/84/83/44/618848344.db2.gz YJLXIQWYYPXPMC-UHFFFAOYSA-N 2 1 261.756 3.182 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C)(O)CC1)CC(C)C ZINC000892535292 618853139 /nfs/dbraw/zinc/85/31/39/618853139.db2.gz JDKHLYSRZAQZBJ-AQFXKWCLSA-N 2 1 284.488 3.026 20 0 CGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739644 618854985 /nfs/dbraw/zinc/85/49/85/618854985.db2.gz WOKNONLXOYUQMB-RCCFBDPRSA-N 2 1 296.499 3.028 20 0 CGADMP CCc1onc(C)c1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000892585260 618868078 /nfs/dbraw/zinc/86/80/78/618868078.db2.gz SSUHBACYAYJGFL-CQSZACIVSA-N 2 1 293.455 3.147 20 0 CGADMP Cc1cc(CNCCC[N@@H+]2CCCC[C@H]2C)c(C)o1 ZINC000163270196 618887021 /nfs/dbraw/zinc/88/70/21/618887021.db2.gz KWSQSMOUCOPMEW-CYBMUJFWSA-N 2 1 264.413 3.251 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)o1 ZINC000163270196 618887023 /nfs/dbraw/zinc/88/70/23/618887023.db2.gz KWSQSMOUCOPMEW-CYBMUJFWSA-N 2 1 264.413 3.251 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)o1 ZINC000163270196 618887026 /nfs/dbraw/zinc/88/70/26/618887026.db2.gz KWSQSMOUCOPMEW-CYBMUJFWSA-N 2 1 264.413 3.251 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892947139 618960815 /nfs/dbraw/zinc/96/08/15/618960815.db2.gz WYCUUCJEKFIDCJ-GFCCVEGCSA-N 2 1 286.341 3.195 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892947139 618960817 /nfs/dbraw/zinc/96/08/17/618960817.db2.gz WYCUUCJEKFIDCJ-GFCCVEGCSA-N 2 1 286.341 3.195 20 0 CGADMP FC(F)(F)c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925508914 619002122 /nfs/dbraw/zinc/00/21/22/619002122.db2.gz JJAJPSSLHBTNGI-AWEZNQCLSA-N 2 1 298.352 3.122 20 0 CGADMP CCc1onc(C)c1CNC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000893200594 619026688 /nfs/dbraw/zinc/02/66/88/619026688.db2.gz QEEFPIMWBSHYSK-OAHLLOKOSA-N 2 1 293.455 3.003 20 0 CGADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000893200594 619026690 /nfs/dbraw/zinc/02/66/90/619026690.db2.gz QEEFPIMWBSHYSK-OAHLLOKOSA-N 2 1 293.455 3.003 20 0 CGADMP CCc1onc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000893200594 619026693 /nfs/dbraw/zinc/02/66/93/619026693.db2.gz QEEFPIMWBSHYSK-OAHLLOKOSA-N 2 1 293.455 3.003 20 0 CGADMP CC(C)c1csc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925558564 619058080 /nfs/dbraw/zinc/05/80/80/619058080.db2.gz GJRHZHXKJODEOK-RYUDHWBXSA-N 2 1 281.469 3.262 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccccc1 ZINC000925624594 619094998 /nfs/dbraw/zinc/09/49/98/619094998.db2.gz ZZICHRLVOVBTDG-XJKSGUPXSA-N 2 1 258.409 3.245 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000925714188 619159748 /nfs/dbraw/zinc/15/97/48/619159748.db2.gz WKBBEKCNKQRPHA-PIKADFDJSA-N 2 1 280.415 3.468 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC000925767344 619228428 /nfs/dbraw/zinc/22/84/28/619228428.db2.gz XRMSTGKSLLLQIO-UVLCOCDESA-N 2 1 258.409 3.243 20 0 CGADMP Cc1cc([NH+](C)C)cc(C)c1NCC1CC[NH+](C)CC1 ZINC000893587552 619229296 /nfs/dbraw/zinc/22/92/96/619229296.db2.gz FAUIWPJFKQLVGH-UHFFFAOYSA-N 2 1 275.440 3.123 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1F ZINC000925783977 619246444 /nfs/dbraw/zinc/24/64/44/619246444.db2.gz HFVMHOWHOXFBHM-UHIISALHSA-N 2 1 284.806 3.375 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccccc1 ZINC000925854889 619296773 /nfs/dbraw/zinc/29/67/73/619296773.db2.gz BERWEFRZKKAHDN-IMJJTQAJSA-N 2 1 290.476 3.483 20 0 CGADMP CC(C)c1c[nH]c(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000894057043 619361167 /nfs/dbraw/zinc/36/11/67/619361167.db2.gz FJFIVMOPRPEBTM-UHFFFAOYSA-N 2 1 292.471 3.087 20 0 CGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000924958698 619461509 /nfs/dbraw/zinc/46/15/09/619461509.db2.gz GIVHWVLKVAJIBC-BBWFWOEESA-N 2 1 284.488 3.026 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccc(C(F)(F)F)s1)[NH+](C)C ZINC000895294065 619797756 /nfs/dbraw/zinc/79/77/56/619797756.db2.gz OJBRLUGKPWEVCN-VIFPVBQESA-N 2 1 280.359 3.197 20 0 CGADMP C[C@H](CC[NH2+]Cc1cc2cc(F)ccc2o1)[NH+](C)C ZINC000895298438 619798943 /nfs/dbraw/zinc/79/89/43/619798943.db2.gz VZMQIGUQDSTJEA-LLVKDONJSA-N 2 1 264.344 3.002 20 0 CGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000895377698 619816579 /nfs/dbraw/zinc/81/65/79/619816579.db2.gz GJJVEWNOLOBNBO-JHJVBQTASA-N 2 1 293.282 3.232 20 0 CGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000895377695 619816633 /nfs/dbraw/zinc/81/66/33/619816633.db2.gz GJJVEWNOLOBNBO-AGIUHOORSA-N 2 1 293.282 3.232 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CC1(C)C ZINC000840713885 620150590 /nfs/dbraw/zinc/15/05/90/620150590.db2.gz GIDYGWFEKVHSFM-CVEARBPZSA-N 2 1 298.434 3.490 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144098 620180004 /nfs/dbraw/zinc/18/00/04/620180004.db2.gz UAWSVWOFQNMASN-GRDNDAEWSA-N 2 1 290.451 3.047 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144098 620180006 /nfs/dbraw/zinc/18/00/06/620180006.db2.gz UAWSVWOFQNMASN-GRDNDAEWSA-N 2 1 290.451 3.047 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)nc1)C[NH+]1CCCC1 ZINC000179108691 620203037 /nfs/dbraw/zinc/20/30/37/620203037.db2.gz MVUYOWFXPPMQPS-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000872026182 620274571 /nfs/dbraw/zinc/27/45/71/620274571.db2.gz YTBIPYQVZMWTTH-NWDGAFQWSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000897882129 620443141 /nfs/dbraw/zinc/44/31/41/620443141.db2.gz JMFGRVVUZPFBMT-RJZRQDKASA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000897882129 620443143 /nfs/dbraw/zinc/44/31/43/620443143.db2.gz JMFGRVVUZPFBMT-RJZRQDKASA-N 2 1 294.389 3.283 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000924753511 620633660 /nfs/dbraw/zinc/63/36/60/620633660.db2.gz PXFYRNPNDWKYSU-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000924753511 620633662 /nfs/dbraw/zinc/63/36/62/620633662.db2.gz PXFYRNPNDWKYSU-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP CNc1ccccc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000902289497 621229787 /nfs/dbraw/zinc/22/97/87/621229787.db2.gz QDPKSPNZLMMQAZ-UHFFFAOYSA-N 2 1 277.456 3.327 20 0 CGADMP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902468216 621339463 /nfs/dbraw/zinc/33/94/63/621339463.db2.gz NGABANCBSPAUCR-QUESIWGOSA-N 2 1 290.838 3.459 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@@H]1c1ccccc1 ZINC000902470982 621341199 /nfs/dbraw/zinc/34/11/99/621341199.db2.gz IIVABZXCWNUFNY-MZBWOGCUSA-N 2 1 270.420 3.051 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902736517 621419246 /nfs/dbraw/zinc/41/92/46/621419246.db2.gz UFEDGVONOVORHJ-ZWKOTPCHSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000902752427 621425744 /nfs/dbraw/zinc/42/57/44/621425744.db2.gz JRGOHGXZBFFCSR-BZSNNMDCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC[N@@H+]1C ZINC000902818436 621453815 /nfs/dbraw/zinc/45/38/15/621453815.db2.gz NTTITBPHLCJTCW-LAVFITLUSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC[N@H+]1C ZINC000902818436 621453818 /nfs/dbraw/zinc/45/38/18/621453818.db2.gz NTTITBPHLCJTCW-LAVFITLUSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000903060093 621548535 /nfs/dbraw/zinc/54/85/35/621548535.db2.gz QPVRCCDUASEUSD-UMPJEAMMSA-N 2 1 264.457 3.274 20 0 CGADMP CCO[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903105179 621578700 /nfs/dbraw/zinc/57/87/00/621578700.db2.gz RMYZDOLPSWNQJZ-ONQFOCNCSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903168159 621617990 /nfs/dbraw/zinc/61/79/90/621617990.db2.gz SYRFLAPSBRLPHE-AEIJQKHESA-N 2 1 262.441 3.170 20 0 CGADMP c1ccc(C2(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000903170528 621619862 /nfs/dbraw/zinc/61/98/62/621619862.db2.gz KGKKGJQCOMQZNQ-MSOLQXFVSA-N 2 1 284.447 3.325 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCCO1 ZINC000903196801 621621979 /nfs/dbraw/zinc/62/19/79/621621979.db2.gz RNPIQUKSFBETCU-LLPGRJKPSA-N 2 1 292.467 3.082 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903252817 621642112 /nfs/dbraw/zinc/64/21/12/621642112.db2.gz IBOOPXGEXQEYQM-KTAKPFMOSA-N 2 1 290.455 3.166 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903427307 621741869 /nfs/dbraw/zinc/74/18/69/621741869.db2.gz VJSJHJAYWWHCKS-HFTRVMKXSA-N 2 1 288.435 3.078 20 0 CGADMP CC[N@@H+](Cc1ccccc1Cl)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431005 621743554 /nfs/dbraw/zinc/74/35/54/621743554.db2.gz COCMDYAWHDAAKV-OCCSQVGLSA-N 2 1 266.816 3.017 20 0 CGADMP CC[N@H+](Cc1ccccc1Cl)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431005 621743559 /nfs/dbraw/zinc/74/35/59/621743559.db2.gz COCMDYAWHDAAKV-OCCSQVGLSA-N 2 1 266.816 3.017 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431243 621743756 /nfs/dbraw/zinc/74/37/56/621743756.db2.gz KOYRTQKTUDQSEN-HIFRSBDPSA-N 2 1 264.388 3.164 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431640 621744254 /nfs/dbraw/zinc/74/42/54/621744254.db2.gz TWOLSGCGYIJWOT-WZRBSPASSA-N 2 1 268.351 3.085 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903423391 621751131 /nfs/dbraw/zinc/75/11/31/621751131.db2.gz USNAARFAEIJPNK-GFCCVEGCSA-N 2 1 274.795 3.274 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2[nH]1 ZINC000903454364 621761388 /nfs/dbraw/zinc/76/13/88/621761388.db2.gz YZAHINJGRVQOPL-ROUUACIJSA-N 2 1 297.446 3.380 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903718587 621796087 /nfs/dbraw/zinc/79/60/87/621796087.db2.gz PFTJHPKMNLWVAF-CRAIPNDOSA-N 2 1 288.435 3.222 20 0 CGADMP c1csc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903718660 621796109 /nfs/dbraw/zinc/79/61/09/621796109.db2.gz QLNYECWKWLXNLF-KGLIPLIRSA-N 2 1 264.438 3.275 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CF)[C@@H]1CC[NH3+] ZINC000903764287 621802990 /nfs/dbraw/zinc/80/29/90/621802990.db2.gz QWHIITVEPGPNHL-XJKSGUPXSA-N 2 1 264.388 3.105 20 0 CGADMP CCCCC[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764638 621803271 /nfs/dbraw/zinc/80/32/71/621803271.db2.gz URIQQZNAOKEDIV-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2F)CCC1 ZINC000903814997 621809894 /nfs/dbraw/zinc/80/98/94/621809894.db2.gz PAOOMKFXHXBQCJ-HNNXBMFYSA-N 2 1 294.389 3.448 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2F)CCC1 ZINC000903814997 621809897 /nfs/dbraw/zinc/80/98/97/621809897.db2.gz PAOOMKFXHXBQCJ-HNNXBMFYSA-N 2 1 294.389 3.448 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccncc2Cl)CCC1 ZINC000903811851 621813884 /nfs/dbraw/zinc/81/38/84/621813884.db2.gz ORQHXXXZKVZFDE-OAHLLOKOSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccncc2Cl)CCC1 ZINC000903811851 621813885 /nfs/dbraw/zinc/81/38/85/621813885.db2.gz ORQHXXXZKVZFDE-OAHLLOKOSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC=C(Cl)Cl)CCC1 ZINC000903813037 621814912 /nfs/dbraw/zinc/81/49/12/621814912.db2.gz XSODFVCHWWGUBJ-NSHDSACASA-N 2 1 277.239 3.289 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC=C(Cl)Cl)CCC1 ZINC000903813037 621814915 /nfs/dbraw/zinc/81/49/15/621814915.db2.gz XSODFVCHWWGUBJ-NSHDSACASA-N 2 1 277.239 3.289 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000903842166 621819341 /nfs/dbraw/zinc/81/93/41/621819341.db2.gz KUFSLESWOKTBHE-MQVNZCODSA-N 2 1 274.383 3.015 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000903891781 621824185 /nfs/dbraw/zinc/82/41/85/621824185.db2.gz CUQAUMWRNGUOIF-JKSUJKDBSA-N 2 1 296.405 3.456 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000903891781 621824188 /nfs/dbraw/zinc/82/41/88/621824188.db2.gz CUQAUMWRNGUOIF-JKSUJKDBSA-N 2 1 296.405 3.456 20 0 CGADMP C[N@@H+](CCCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883083 621826051 /nfs/dbraw/zinc/82/60/51/621826051.db2.gz FHGGUEWBQGQIIW-AYHJJNSGSA-N 2 1 272.436 3.082 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903892581 621827612 /nfs/dbraw/zinc/82/76/12/621827612.db2.gz UZRTYEKYXOCJBM-BLNMRFBMSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914135 621832663 /nfs/dbraw/zinc/83/26/63/621832663.db2.gz GUIVOVHGIBVGQW-JWURUJNWSA-N 2 1 290.373 3.180 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917876 621836292 /nfs/dbraw/zinc/83/62/92/621836292.db2.gz ODEQUWFDNHLOFA-WELJNPPOSA-N 2 1 286.463 3.388 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903960229 621837553 /nfs/dbraw/zinc/83/75/53/621837553.db2.gz ZSFFKXFMLLLKLC-LJQANCHMSA-N 2 1 295.430 3.200 20 0 CGADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301833 621901779 /nfs/dbraw/zinc/90/17/79/621901779.db2.gz MNKSFWDWCPXUTD-FZNQNYSPSA-N 2 1 260.425 3.153 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2c2cccs2)CCC[NH2+]C1 ZINC000904303822 621902354 /nfs/dbraw/zinc/90/23/54/621902354.db2.gz IKQUAQXRVAAHEN-HIFRSBDPSA-N 2 1 264.438 3.275 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904310114 621902527 /nfs/dbraw/zinc/90/25/27/621902527.db2.gz WHSJKUPAHHFBMW-COPLHBTASA-N 2 1 286.341 3.436 20 0 CGADMP COCC[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000904309844 621902809 /nfs/dbraw/zinc/90/28/09/621902809.db2.gz QRKCQGGHOIRTED-FUHWJXTLSA-N 2 1 290.451 3.086 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000904327008 621907929 /nfs/dbraw/zinc/90/79/29/621907929.db2.gz WMNWEGADWWESTD-JNSHFYNHSA-N 2 1 294.389 3.447 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904340961 621909609 /nfs/dbraw/zinc/90/96/09/621909609.db2.gz GPRYCHBFERFOAO-ZWKOTPCHSA-N 2 1 272.436 3.174 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904371692 621914459 /nfs/dbraw/zinc/91/44/59/621914459.db2.gz RCFQWEVGVODECF-YOEHRIQHSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1[nH+]c(N)ccc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000904767675 621980858 /nfs/dbraw/zinc/98/08/58/621980858.db2.gz APGSTCGAMTYWES-HNNXBMFYSA-N 2 1 253.349 3.064 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000906517188 622242378 /nfs/dbraw/zinc/24/23/78/622242378.db2.gz KCROVEKSASNFOW-XYPYZODXSA-N 2 1 299.399 3.136 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862373 623270774 /nfs/dbraw/zinc/27/07/74/623270774.db2.gz HUPZMCQQYOYSBU-HNNXBMFYSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862373 623270779 /nfs/dbraw/zinc/27/07/79/623270779.db2.gz HUPZMCQQYOYSBU-HNNXBMFYSA-N 2 1 266.816 3.162 20 0 CGADMP CC[NH+]1CCC(CC[NH2+]Cc2nc(C(C)(C)C)co2)CC1 ZINC000921783622 625874358 /nfs/dbraw/zinc/87/43/58/625874358.db2.gz GKVKJZJUZPQFKM-UHFFFAOYSA-N 2 1 293.455 3.184 20 0 CGADMP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCS2 ZINC000922840913 626055053 /nfs/dbraw/zinc/05/50/53/626055053.db2.gz UIFYMFHEQYKKCS-RBSFLKMASA-N 2 1 280.481 3.021 20 0 CGADMP C(=C/[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)\c1ccccc1 ZINC000923272695 626141795 /nfs/dbraw/zinc/14/17/95/626141795.db2.gz OZKANQALHJNMKY-BLGFXRMMSA-N 2 1 270.420 3.164 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366567 626149383 /nfs/dbraw/zinc/14/93/83/626149383.db2.gz NIBPDTWFFINIBZ-KRWDZBQOSA-N 2 1 262.441 3.032 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000923482367 626156905 /nfs/dbraw/zinc/15/69/05/626156905.db2.gz ZGCQZEXLCLJNLP-NSHDSACASA-N 2 1 278.783 3.257 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000753665386 626461481 /nfs/dbraw/zinc/46/14/81/626461481.db2.gz OAHWYMJUARVJOW-HOTGVXAUSA-N 2 1 290.451 3.304 20 0 CGADMP CCC(=O)CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000753745819 626464687 /nfs/dbraw/zinc/46/46/87/626464687.db2.gz KBQINGFNFOUJMT-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@@H+](C/C=C\Cl)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000754350804 626568767 /nfs/dbraw/zinc/56/87/67/626568767.db2.gz GDXVWMOQMVTLSQ-JVEMRRDJSA-N 2 1 277.239 3.278 20 0 CGADMP CN(C/C=C\Cl)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000754350804 626568770 /nfs/dbraw/zinc/56/87/70/626568770.db2.gz GDXVWMOQMVTLSQ-JVEMRRDJSA-N 2 1 277.239 3.278 20 0 CGADMP CN(C/C=C\Cl)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000754350804 626568771 /nfs/dbraw/zinc/56/87/71/626568771.db2.gz GDXVWMOQMVTLSQ-JVEMRRDJSA-N 2 1 277.239 3.278 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000020203984 634507348 /nfs/dbraw/zinc/50/73/48/634507348.db2.gz PQJLHWSQWBJEEK-HNNXBMFYSA-N 2 1 262.397 3.119 20 0 CGADMP CCCCC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121410248 634534462 /nfs/dbraw/zinc/53/44/62/634534462.db2.gz LUCNXMPICMQWEZ-KGLIPLIRSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1cccc2c1CC[NH+](CC[C@H]1CCCC[N@H+]1C)C2 ZINC000760838292 626995903 /nfs/dbraw/zinc/99/59/03/626995903.db2.gz XXESOEPABPVCDO-QGZVFWFLSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000760838292 626995906 /nfs/dbraw/zinc/99/59/06/626995906.db2.gz XXESOEPABPVCDO-QGZVFWFLSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000760838292 626995911 /nfs/dbraw/zinc/99/59/11/626995911.db2.gz XXESOEPABPVCDO-QGZVFWFLSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1CC[N@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000760838292 626995916 /nfs/dbraw/zinc/99/59/16/626995916.db2.gz XXESOEPABPVCDO-QGZVFWFLSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000765758417 627269280 /nfs/dbraw/zinc/26/92/80/627269280.db2.gz MBMHPVPEMIBLBD-UONOGXRCSA-N 2 1 289.398 3.188 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC(C(F)F)C2)C1 ZINC000768676995 627492538 /nfs/dbraw/zinc/49/25/38/627492538.db2.gz GHBQOYPPLDXNRV-IYXRBSQSSA-N 2 1 274.399 3.132 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000782183288 628620939 /nfs/dbraw/zinc/62/09/39/628620939.db2.gz JZJCAUBKLGDDMF-IAGOWNOFSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(C)o1 ZINC000784669902 628828111 /nfs/dbraw/zinc/82/81/11/628828111.db2.gz CQTBCAMNVNHYJQ-ZDUSSCGKSA-N 2 1 264.413 3.251 20 0 CGADMP C[NH+]1CCC(C[N@@H+](Cc2cccs2)C2CC2)CC1 ZINC000788471501 629056757 /nfs/dbraw/zinc/05/67/57/629056757.db2.gz WFSFBUABVHUNAR-UHFFFAOYSA-N 2 1 264.438 3.054 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000788481053 629058214 /nfs/dbraw/zinc/05/82/14/629058214.db2.gz PGTIUJQMMUYNQC-KRWDZBQOSA-N 2 1 290.476 3.118 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863541919 629602184 /nfs/dbraw/zinc/60/21/84/629602184.db2.gz MWOOHJVXFARAQE-HNNXBMFYSA-N 2 1 252.446 3.278 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002360 630014148 /nfs/dbraw/zinc/01/41/48/630014148.db2.gz FOEALSUJTIPETN-VNQPRFMTSA-N 2 1 250.430 3.172 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCc3ccccc3F)C2)CC1 ZINC000798957069 630128158 /nfs/dbraw/zinc/12/81/58/630128158.db2.gz LINKRUWYQYXBQH-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP CC(C)C(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000808716479 630301055 /nfs/dbraw/zinc/30/10/55/630301055.db2.gz XLTDBFNZSJIPPA-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000808716479 630301059 /nfs/dbraw/zinc/30/10/59/630301059.db2.gz XLTDBFNZSJIPPA-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000815560048 631795210 /nfs/dbraw/zinc/79/52/10/631795210.db2.gz XBKBREKGWRJZRP-XKQJLSEDSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000815560048 631795215 /nfs/dbraw/zinc/79/52/15/631795215.db2.gz XBKBREKGWRJZRP-XKQJLSEDSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000815559198 631795592 /nfs/dbraw/zinc/79/55/92/631795592.db2.gz ZXXPBXSVNZSMJJ-ZIAGYGMSSA-N 2 1 276.399 3.269 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)CCO2 ZINC000817957785 632252071 /nfs/dbraw/zinc/25/20/71/632252071.db2.gz DWJIUOHNWOSQDT-GUYCJALGSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(SC(F)F)cc1 ZINC000817965145 632259989 /nfs/dbraw/zinc/25/99/89/632259989.db2.gz MRGTWEGRMICIRL-RNCFNFMXSA-N 2 1 286.391 3.389 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(SC(F)F)cc1)[C@H](C)[NH3+] ZINC000817977866 632268539 /nfs/dbraw/zinc/26/85/39/632268539.db2.gz QWCRGTBUEJCPGS-AEJSXWLSSA-N 2 1 274.380 3.388 20 0 CGADMP Cc1ccccc1-c1cnc(C[N@H+](C)C2CCC([NH3+])CC2)o1 ZINC000844220924 635833914 /nfs/dbraw/zinc/83/39/14/635833914.db2.gz QGJFIUWRUOLJHX-UHFFFAOYSA-N 2 1 299.418 3.352 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)CC1(C)C ZINC000865788627 632892216 /nfs/dbraw/zinc/89/22/16/632892216.db2.gz CRDAETZTVUAKLY-NSHDSACASA-N 2 1 262.388 3.130 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(F)F)CC1(C)C ZINC000865788626 632892656 /nfs/dbraw/zinc/89/26/56/632892656.db2.gz CRDAETZTVUAKLY-LLVKDONJSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866562601 633193968 /nfs/dbraw/zinc/19/39/68/633193968.db2.gz UEJDTDFWJUDAOD-QAPCUYQASA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866562601 633193972 /nfs/dbraw/zinc/19/39/72/633193972.db2.gz UEJDTDFWJUDAOD-QAPCUYQASA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc2oc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2c1 ZINC000824988342 633315691 /nfs/dbraw/zinc/31/56/91/633315691.db2.gz KILNVBZFGAMWMZ-MQVJKMGUSA-N 2 1 284.403 3.456 20 0 CGADMP Cc1ccc2oc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2c1 ZINC000824988342 633315695 /nfs/dbraw/zinc/31/56/95/633315695.db2.gz KILNVBZFGAMWMZ-MQVJKMGUSA-N 2 1 284.403 3.456 20 0 CGADMP Cc1ccc2oc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2c1 ZINC000824988342 633315699 /nfs/dbraw/zinc/31/56/99/633315699.db2.gz KILNVBZFGAMWMZ-MQVJKMGUSA-N 2 1 284.403 3.456 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872072654 633994826 /nfs/dbraw/zinc/99/48/26/633994826.db2.gz IEYHHSZIKSUVTP-ARFHVFGLSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872072654 633994833 /nfs/dbraw/zinc/99/48/33/633994833.db2.gz IEYHHSZIKSUVTP-ARFHVFGLSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872073591 633995325 /nfs/dbraw/zinc/99/53/25/633995325.db2.gz SFTVMHLTJKYCMY-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872073591 633995334 /nfs/dbraw/zinc/99/53/34/633995334.db2.gz SFTVMHLTJKYCMY-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000872079994 634002784 /nfs/dbraw/zinc/00/27/84/634002784.db2.gz RNZPOWCNWPHVTC-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP Cc1ccc2c(ccc(C)c2C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000872145893 634064769 /nfs/dbraw/zinc/06/47/69/634064769.db2.gz YMYWOLSYFFKAOB-QGZVFWFLSA-N 2 1 298.430 3.006 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(F)c2cccnc12 ZINC000872155704 634066221 /nfs/dbraw/zinc/06/62/21/634066221.db2.gz SWPCJMRFOJXXOQ-UHFFFAOYSA-N 2 1 289.398 3.325 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1)C1CCCC1 ZINC000872156141 634066696 /nfs/dbraw/zinc/06/66/96/634066696.db2.gz FGESRUQJWVHZEU-KBAYOESNSA-N 2 1 294.483 3.175 20 0 CGADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157754 634066975 /nfs/dbraw/zinc/06/69/75/634066975.db2.gz QUEUEVCDWSEMQK-IDCNUPLLSA-N 2 1 294.483 3.031 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2ncccc12 ZINC000873124461 634250116 /nfs/dbraw/zinc/25/01/16/634250116.db2.gz FFMJPTKHTCOZFY-INIZCTEOSA-N 2 1 283.419 3.199 20 0 CGADMP c1c(C[N@H+]2CCC[C@H]2c2ccccn2)sc2c1C[NH2+]CC2 ZINC000873202909 634284267 /nfs/dbraw/zinc/28/42/67/634284267.db2.gz HZTXBEFJQTUGBE-INIZCTEOSA-N 2 1 299.443 3.126 20 0 CGADMP C[C@H](C1CC1)[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873203181 634284817 /nfs/dbraw/zinc/28/48/17/634284817.db2.gz SBJAXTCPXVAIJV-LLVKDONJSA-N 2 1 276.449 3.157 20 0 CGADMP COc1cccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1F ZINC000873223049 634290528 /nfs/dbraw/zinc/29/05/28/634290528.db2.gz HGPKPNGFTAXZHH-QGZVFWFLSA-N 2 1 294.414 3.031 20 0 CGADMP COc1cccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1F ZINC000873223049 634290535 /nfs/dbraw/zinc/29/05/35/634290535.db2.gz HGPKPNGFTAXZHH-QGZVFWFLSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1c[nH+]ccc1N ZINC000873253196 634302062 /nfs/dbraw/zinc/30/20/62/634302062.db2.gz UWCPTAMSMFSLBZ-NTZNESFSSA-N 2 1 299.340 3.289 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000877010850 634950334 /nfs/dbraw/zinc/95/03/34/634950334.db2.gz NBPRJQCBQKUXMI-FUHWJXTLSA-N 2 1 270.420 3.497 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877010850 634950341 /nfs/dbraw/zinc/95/03/41/634950341.db2.gz NBPRJQCBQKUXMI-FUHWJXTLSA-N 2 1 270.420 3.497 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cccc(Cl)c1N)[NH+]1CCCCC1 ZINC000877315542 635024465 /nfs/dbraw/zinc/02/44/65/635024465.db2.gz YEZFVULWLKTNAT-ZDUSSCGKSA-N 2 1 295.858 3.276 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CC[N@H+]4C)C3)ccc2n1 ZINC000877738498 635172626 /nfs/dbraw/zinc/17/26/26/635172626.db2.gz BXZGAEUOAFESJI-MJGOQNOKSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CC[N@@H+]4C)C3)ccc2n1 ZINC000877738498 635172629 /nfs/dbraw/zinc/17/26/29/635172629.db2.gz BXZGAEUOAFESJI-MJGOQNOKSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)ccc2n1 ZINC000877738498 635172632 /nfs/dbraw/zinc/17/26/32/635172632.db2.gz BXZGAEUOAFESJI-MJGOQNOKSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)ccc2n1 ZINC000877738498 635172637 /nfs/dbraw/zinc/17/26/37/635172637.db2.gz BXZGAEUOAFESJI-MJGOQNOKSA-N 2 1 295.430 3.069 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742640 635179132 /nfs/dbraw/zinc/17/91/32/635179132.db2.gz FVIFYESRNXFCQW-ARBVUSPFSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877742640 635179136 /nfs/dbraw/zinc/17/91/36/635179136.db2.gz FVIFYESRNXFCQW-ARBVUSPFSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877742640 635179142 /nfs/dbraw/zinc/17/91/42/635179142.db2.gz FVIFYESRNXFCQW-ARBVUSPFSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877742640 635179148 /nfs/dbraw/zinc/17/91/48/635179148.db2.gz FVIFYESRNXFCQW-ARBVUSPFSA-N 2 1 270.420 3.116 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000877743980 635179321 /nfs/dbraw/zinc/17/93/21/635179321.db2.gz ZDDMHGCZBDJFTM-MSOLQXFVSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000877743980 635179326 /nfs/dbraw/zinc/17/93/26/635179326.db2.gz ZDDMHGCZBDJFTM-MSOLQXFVSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000877743980 635179329 /nfs/dbraw/zinc/17/93/29/635179329.db2.gz ZDDMHGCZBDJFTM-MSOLQXFVSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000877743980 635179332 /nfs/dbraw/zinc/17/93/32/635179332.db2.gz ZDDMHGCZBDJFTM-MSOLQXFVSA-N 2 1 270.420 3.090 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000878120317 635365863 /nfs/dbraw/zinc/36/58/63/635365863.db2.gz GUDBSSDXBOUCJS-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC000842471839 635376539 /nfs/dbraw/zinc/37/65/39/635376539.db2.gz CNOMDPQNKXVMGS-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842476076 635377838 /nfs/dbraw/zinc/37/78/38/635377838.db2.gz GGPQGDXGOAKPQH-MAUKXSAKSA-N 2 1 290.451 3.220 20 0 CGADMP C[N@@H+](Cc1cnc(C2CCC2)s1)C1CCC([NH3+])CC1 ZINC000843055540 635553564 /nfs/dbraw/zinc/55/35/64/635553564.db2.gz GNZBFWABHYBBPF-UHFFFAOYSA-N 2 1 279.453 3.112 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1cccc(Cl)c1 ZINC000843362143 635654189 /nfs/dbraw/zinc/65/41/89/635654189.db2.gz SVEJAZJVKUPULY-GOOCMWNKSA-N 2 1 294.826 3.063 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573679 635814107 /nfs/dbraw/zinc/81/41/07/635814107.db2.gz PORRWJJMPWNSEB-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCc3ccccc3)CC[C@@H]21 ZINC000879580691 635816845 /nfs/dbraw/zinc/81/68/45/635816845.db2.gz JICGPGYJPYWDEL-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCc3ccccc3)CC[C@@H]21 ZINC000879580691 635816849 /nfs/dbraw/zinc/81/68/49/635816849.db2.gz JICGPGYJPYWDEL-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000879580691 635816852 /nfs/dbraw/zinc/81/68/52/635816852.db2.gz JICGPGYJPYWDEL-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000879580691 635816855 /nfs/dbraw/zinc/81/68/55/635816855.db2.gz JICGPGYJPYWDEL-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP FC[C@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880297084 635968942 /nfs/dbraw/zinc/96/89/42/635968942.db2.gz IZKUESXHETVOMO-HZPDHXFCSA-N 2 1 288.426 3.130 20 0 CGADMP c1cc(N2CCCC2)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128835387 636079438 /nfs/dbraw/zinc/07/94/38/636079438.db2.gz ILDZRISWZUSFBG-FUHWJXTLSA-N 2 1 285.435 3.326 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000846217985 636160995 /nfs/dbraw/zinc/16/09/95/636160995.db2.gz QVADYJLREKQLPQ-INIZCTEOSA-N 2 1 278.465 3.296 20 0 CGADMP CC1(C)CC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC(C)(C)C1 ZINC000129731101 636357774 /nfs/dbraw/zinc/35/77/74/636357774.db2.gz OPAMUVKFHGRGLU-HZPDHXFCSA-N 2 1 294.483 3.044 20 0 CGADMP CC1(C)CC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC(C)(C)C1 ZINC000129731101 636357781 /nfs/dbraw/zinc/35/77/81/636357781.db2.gz OPAMUVKFHGRGLU-HZPDHXFCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nc2ccccc2s1 ZINC000848718195 636640555 /nfs/dbraw/zinc/64/05/55/636640555.db2.gz ZDPQTGCUOWJKLK-SRVKXCTJSA-N 2 1 275.421 3.217 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@H]2CCC[C@H]21 ZINC000883274589 636646716 /nfs/dbraw/zinc/64/67/16/636646716.db2.gz PDWVKZQRIJPAKJ-LJISPDSOSA-N 2 1 286.410 3.274 20 0 CGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996384 636709083 /nfs/dbraw/zinc/70/90/83/636709083.db2.gz RELXDJXOLOSIFF-CVEARBPZSA-N 2 1 296.503 3.045 20 0 CGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)cc1 ZINC000848996536 636709364 /nfs/dbraw/zinc/70/93/64/636709364.db2.gz CMCGUUSESYJZEM-STQMWFEESA-N 2 1 276.428 3.086 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883430050 636753484 /nfs/dbraw/zinc/75/34/84/636753484.db2.gz MEFGCRXINVQBTP-IKGGRYGDSA-N 2 1 290.451 3.260 20 0 CGADMP c1ccc([C@@H]2CSCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000883461141 636761885 /nfs/dbraw/zinc/76/18/85/636761885.db2.gz OMKXROJDVFKJJY-WBVHZDCISA-N 2 1 290.476 3.166 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000850359401 637028480 /nfs/dbraw/zinc/02/84/80/637028480.db2.gz GZDCAQIQGCVKPU-BPQIPLTHSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000850359401 637028484 /nfs/dbraw/zinc/02/84/84/637028484.db2.gz GZDCAQIQGCVKPU-BPQIPLTHSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434407 637060842 /nfs/dbraw/zinc/06/08/42/637060842.db2.gz XMSGLULKXIQSBX-HUUCEWRRSA-N 2 1 288.435 3.004 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885938020 637320609 /nfs/dbraw/zinc/32/06/09/637320609.db2.gz PGIVWYUDSBXYDT-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](CCOC2CCCCC2)CC1 ZINC000886305423 637491639 /nfs/dbraw/zinc/49/16/39/637491639.db2.gz GWKFYILRSTWISQ-UHFFFAOYSA-N 2 1 294.483 3.286 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886611358 637605564 /nfs/dbraw/zinc/60/55/64/637605564.db2.gz ZQAGXADJCKBQRO-JYJNAYRXSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886611358 637605569 /nfs/dbraw/zinc/60/55/69/637605569.db2.gz ZQAGXADJCKBQRO-JYJNAYRXSA-N 2 1 270.461 3.044 20 0 CGADMP COCC1(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)CCC1 ZINC000886661569 637638361 /nfs/dbraw/zinc/63/83/61/637638361.db2.gz XNWIISJZSBRSQT-UHFFFAOYSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)CCC(C)C)CC2)[nH+]c1C ZINC000886660800 637639166 /nfs/dbraw/zinc/63/91/66/637639166.db2.gz GGOSPUZPIHADOZ-INIZCTEOSA-N 2 1 293.455 3.003 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@H](C)C1 ZINC000886773912 637683332 /nfs/dbraw/zinc/68/33/32/637683332.db2.gz DJHQUPDSYQBDKB-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000886857878 637715147 /nfs/dbraw/zinc/71/51/47/637715147.db2.gz DJAGQUKFGZLEMK-KBPBESRZSA-N 2 1 290.373 3.041 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000886857992 637715503 /nfs/dbraw/zinc/71/55/03/637715503.db2.gz JCUZRZHHHACZNS-WMLDXEAASA-N 2 1 258.409 3.069 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000886857990 637715627 /nfs/dbraw/zinc/71/56/27/637715627.db2.gz JCUZRZHHHACZNS-PBHICJAKSA-N 2 1 258.409 3.069 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCC2SCCS2)[C@@H]1CCC[NH3+] ZINC000853023220 637736535 /nfs/dbraw/zinc/73/65/35/637736535.db2.gz PXNSFKZNRARWQJ-CHWSQXEVSA-N 2 1 288.526 3.022 20 0 CGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000300570107 637845195 /nfs/dbraw/zinc/84/51/95/637845195.db2.gz JXFSLVLXNRMAJL-KGLIPLIRSA-N 2 1 270.486 3.125 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2cccnc2)CC1 ZINC000924566387 638364090 /nfs/dbraw/zinc/36/40/90/638364090.db2.gz XHFYUPCTRAWHKW-OAHLLOKOSA-N 2 1 275.440 3.243 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000924572026 638365692 /nfs/dbraw/zinc/36/56/92/638365692.db2.gz PZTKNGSQDQHNGH-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000924698583 638390428 /nfs/dbraw/zinc/39/04/28/638390428.db2.gz ZZQLMCONUOQBQH-GVDBMIGSSA-N 2 1 270.420 3.199 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2ccccc2[nH]1 ZINC000924699392 638391027 /nfs/dbraw/zinc/39/10/27/638391027.db2.gz SCGRITDLTIFUPF-CWRNSKLLSA-N 2 1 283.419 3.445 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000924712604 638393729 /nfs/dbraw/zinc/39/37/29/638393729.db2.gz ITQWZZWZQRALQI-LSDHHAIUSA-N 2 1 263.429 3.386 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000924753509 638400017 /nfs/dbraw/zinc/40/00/17/638400017.db2.gz PXFYRNPNDWKYSU-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000924753509 638400020 /nfs/dbraw/zinc/40/00/20/638400020.db2.gz PXFYRNPNDWKYSU-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP C[N@H+](CC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C1CCCCC1 ZINC000924803508 638407061 /nfs/dbraw/zinc/40/70/61/638407061.db2.gz SILPVSWGBYLSAD-FUHWJXTLSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C1CCCCC1 ZINC000924803508 638407068 /nfs/dbraw/zinc/40/70/68/638407068.db2.gz SILPVSWGBYLSAD-FUHWJXTLSA-N 2 1 294.483 3.046 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925501927 638513377 /nfs/dbraw/zinc/51/33/77/638513377.db2.gz DVJWCJFDPNAWKH-HNKHHVNMSA-N 2 1 278.465 3.339 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccns2)C1 ZINC000925588662 638538786 /nfs/dbraw/zinc/53/87/86/638538786.db2.gz SCPDYMCMIIPPOO-KGLIPLIRSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccns2)C1 ZINC000925588662 638538791 /nfs/dbraw/zinc/53/87/91/638538791.db2.gz SCPDYMCMIIPPOO-KGLIPLIRSA-N 2 1 281.469 3.162 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000925666888 638563491 /nfs/dbraw/zinc/56/34/91/638563491.db2.gz PAHNIAXHCLLCPQ-BSXFFOKHSA-N 2 1 290.451 3.258 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]C1CC(Sc3ccccc3)C1)C2 ZINC000925815753 638621234 /nfs/dbraw/zinc/62/12/34/638621234.db2.gz ZFMFOPYAOBTYPQ-VQCLRJIVSA-N 2 1 299.443 3.111 20 0 CGADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925832323 638625293 /nfs/dbraw/zinc/62/52/93/638625293.db2.gz OAQXHVZMNUFWMZ-GBJTYRQASA-N 2 1 298.352 3.268 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839772 638628607 /nfs/dbraw/zinc/62/86/07/638628607.db2.gz DRBURHQRYMMLBI-BMGDILEWSA-N 2 1 288.435 3.268 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925838177 638628768 /nfs/dbraw/zinc/62/87/68/638628768.db2.gz KYPFUXUNGNOSSR-FXUDXRNXSA-N 2 1 294.389 3.156 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)o1 ZINC000925841182 638629713 /nfs/dbraw/zinc/62/97/13/638629713.db2.gz HKEOZWYKOYHDIH-APHBMKBZSA-N 2 1 262.397 3.025 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1(C)C ZINC000858135422 638639132 /nfs/dbraw/zinc/63/91/32/638639132.db2.gz UMQNXEHNSNEYCN-JCVNQNCUSA-N 2 1 258.409 3.162 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)cc2c1OCC2 ZINC000925890371 638645580 /nfs/dbraw/zinc/64/55/80/638645580.db2.gz OSOSXJZCSHONGW-FZMZJTMJSA-N 2 1 294.826 3.068 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2ccccc2[nH]1 ZINC000926541570 638782993 /nfs/dbraw/zinc/78/29/93/638782993.db2.gz MQYVRHVAFWOXCV-OHRKKDJYSA-N 2 1 283.419 3.444 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926573693 638786726 /nfs/dbraw/zinc/78/67/26/638786726.db2.gz OGOZWWVHBFJPKY-DZGCQCFKSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926646255 638794556 /nfs/dbraw/zinc/79/45/56/638794556.db2.gz WFNKLSNOESSJHE-HNNXBMFYSA-N 2 1 292.471 3.237 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926646255 638794557 /nfs/dbraw/zinc/79/45/57/638794557.db2.gz WFNKLSNOESSJHE-HNNXBMFYSA-N 2 1 292.471 3.237 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926701341 638800655 /nfs/dbraw/zinc/80/06/55/638800655.db2.gz HKCLSKZGAPEYLG-DOTOQJQBSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926701341 638800657 /nfs/dbraw/zinc/80/06/57/638800657.db2.gz HKCLSKZGAPEYLG-DOTOQJQBSA-N 2 1 287.451 3.009 20 0 CGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739642 638805653 /nfs/dbraw/zinc/80/56/53/638805653.db2.gz WOKNONLXOYUQMB-KURKYZTESA-N 2 1 296.499 3.028 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000926752607 638807091 /nfs/dbraw/zinc/80/70/91/638807091.db2.gz BPWDFIMJCPQYHJ-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000926752607 638807092 /nfs/dbraw/zinc/80/70/92/638807092.db2.gz BPWDFIMJCPQYHJ-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000929687184 638941003 /nfs/dbraw/zinc/94/10/03/638941003.db2.gz LCXCPPRBNVJFTO-VSZNYVQBSA-N 2 1 294.483 3.140 20 0 CGADMP C[N@@H+](CCCC(C)(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000929721521 638944866 /nfs/dbraw/zinc/94/48/66/638944866.db2.gz BRVPRLCEWWVZRF-ZDUSSCGKSA-N 2 1 262.388 3.228 20 0 CGADMP C[NH+](CCCC(C)(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC000929721521 638944869 /nfs/dbraw/zinc/94/48/69/638944869.db2.gz BRVPRLCEWWVZRF-ZDUSSCGKSA-N 2 1 262.388 3.228 20 0 CGADMP C[NH+](CCCC(C)(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC000929721521 638944872 /nfs/dbraw/zinc/94/48/72/638944872.db2.gz BRVPRLCEWWVZRF-ZDUSSCGKSA-N 2 1 262.388 3.228 20 0 CGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cccc(F)c2)C1 ZINC000929762366 638948564 /nfs/dbraw/zinc/94/85/64/638948564.db2.gz FSLCIEYCUPMNDY-QGZVFWFLSA-N 2 1 290.426 3.032 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cccc(F)c2)C1 ZINC000929762366 638948566 /nfs/dbraw/zinc/94/85/66/638948566.db2.gz FSLCIEYCUPMNDY-QGZVFWFLSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000929762366 638948568 /nfs/dbraw/zinc/94/85/68/638948568.db2.gz FSLCIEYCUPMNDY-QGZVFWFLSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000929762366 638948569 /nfs/dbraw/zinc/94/85/69/638948569.db2.gz FSLCIEYCUPMNDY-QGZVFWFLSA-N 2 1 290.426 3.032 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC(C)(F)F)C1 ZINC000929764738 638948649 /nfs/dbraw/zinc/94/86/49/638948649.db2.gz ZUXZPOYOTULTHA-AWEZNQCLSA-N 2 1 274.399 3.086 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2C)[C@@H](C)C1 ZINC000930000024 638967684 /nfs/dbraw/zinc/96/76/84/638967684.db2.gz LQWQDZWEGRLLPA-YOEHRIQHSA-N 2 1 290.451 3.166 20 0 CGADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930060209 638971909 /nfs/dbraw/zinc/97/19/09/638971909.db2.gz HAEWHYBNSBJSRL-QFBILLFUSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930060209 638971910 /nfs/dbraw/zinc/97/19/10/638971910.db2.gz HAEWHYBNSBJSRL-QFBILLFUSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000930060209 638971915 /nfs/dbraw/zinc/97/19/15/638971915.db2.gz HAEWHYBNSBJSRL-QFBILLFUSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000930060209 638971918 /nfs/dbraw/zinc/97/19/18/638971918.db2.gz HAEWHYBNSBJSRL-QFBILLFUSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccn1 ZINC000859211996 639110888 /nfs/dbraw/zinc/11/08/88/639110888.db2.gz ASKMKUOUXOJSIM-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](Cc3cccc4cccnc43)C[C@@]2(C)C1 ZINC000931305175 639132821 /nfs/dbraw/zinc/13/28/21/639132821.db2.gz BRWLZXRZMUEWDG-RTBURBONSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CC3CC(C)C3)CC2)[nH+]c1C ZINC000931748867 639199961 /nfs/dbraw/zinc/19/99/61/639199961.db2.gz OSACRXYUBARMSC-UHFFFAOYSA-N 2 1 261.413 3.252 20 0 CGADMP CC(C)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000932449872 639335730 /nfs/dbraw/zinc/33/57/30/639335730.db2.gz ULCXYXBITFFWRT-QGZVFWFLSA-N 2 1 275.440 3.024 20 0 CGADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000932449872 639335737 /nfs/dbraw/zinc/33/57/37/639335737.db2.gz ULCXYXBITFFWRT-QGZVFWFLSA-N 2 1 275.440 3.024 20 0 CGADMP CC(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000932449872 639335743 /nfs/dbraw/zinc/33/57/43/639335743.db2.gz ULCXYXBITFFWRT-QGZVFWFLSA-N 2 1 275.440 3.024 20 0 CGADMP CC(C)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000932449872 639335751 /nfs/dbraw/zinc/33/57/51/639335751.db2.gz ULCXYXBITFFWRT-QGZVFWFLSA-N 2 1 275.440 3.024 20 0 CGADMP CC1(C)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093460485 640771198 /nfs/dbraw/zinc/77/11/98/640771198.db2.gz IIPFYGKGPRXZIJ-UHFFFAOYSA-N 2 1 288.435 3.146 20 0 CGADMP CCC[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133663 640859142 /nfs/dbraw/zinc/85/91/42/640859142.db2.gz CVKDNZYWCVHWSS-QZTJIDSGSA-N 2 1 272.436 3.398 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133663 640859144 /nfs/dbraw/zinc/85/91/44/640859144.db2.gz CVKDNZYWCVHWSS-QZTJIDSGSA-N 2 1 272.436 3.398 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000415141712 640859630 /nfs/dbraw/zinc/85/96/30/640859630.db2.gz PVMGDGFALPDUPM-OWCLPIDISA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000253194072 640874443 /nfs/dbraw/zinc/87/44/43/640874443.db2.gz PLJLVXJMNZKTNV-DGCLKSJQSA-N 2 1 286.341 3.122 20 0 CGADMP CCc1nc(NCc2cccc(C[NH+](C)C)c2)cc(C)[nH+]1 ZINC001156051871 805646473 /nfs/dbraw/zinc/64/64/73/805646473.db2.gz KOBVVNJKRKZGRS-UHFFFAOYSA-N 2 1 284.407 3.021 20 0 CGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2cccc2C[NH3+])nc1 ZINC001156730876 805729015 /nfs/dbraw/zinc/72/90/15/805729015.db2.gz RSHFCXUYMWEDDX-KRWDZBQOSA-N 2 1 298.434 3.268 20 0 CGADMP Nc1cccc2[nH+]cn(-c3ccc(C4CC[NH2+]CC4)cc3)c21 ZINC001159492136 806113622 /nfs/dbraw/zinc/11/36/22/806113622.db2.gz URVVDMZHGJCHAL-UHFFFAOYSA-N 2 1 292.386 3.075 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC001253094723 806164969 /nfs/dbraw/zinc/16/49/69/806164969.db2.gz HSVGZGRCWJCUCO-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1ccc(C)cc1 ZINC001253213673 806182257 /nfs/dbraw/zinc/18/22/57/806182257.db2.gz LRAHCBJIWAQFOD-ZWKOTPCHSA-N 2 1 292.467 3.129 20 0 CGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001253214322 806182675 /nfs/dbraw/zinc/18/26/75/806182675.db2.gz ZPLREFAXCXARBR-CRAIPNDOSA-N 2 1 292.467 3.163 20 0 CGADMP CCCCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253533394 806238090 /nfs/dbraw/zinc/23/80/90/806238090.db2.gz QPQHDSHJPHCBKH-QZTJIDSGSA-N 2 1 296.499 3.268 20 0 CGADMP CCOc1ccnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001161186745 806357561 /nfs/dbraw/zinc/35/75/61/806357561.db2.gz QHBDVYRNSILDFJ-HNNXBMFYSA-N 2 1 289.423 3.157 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CC3)CC1)C2 ZINC001254435767 806397131 /nfs/dbraw/zinc/39/71/31/806397131.db2.gz FEAXSJGYAQBGEH-MUJYYYPQSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CC3)CC1)C2 ZINC001254435767 806397139 /nfs/dbraw/zinc/39/71/39/806397139.db2.gz FEAXSJGYAQBGEH-MUJYYYPQSA-N 2 1 262.441 3.314 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254501613 806423229 /nfs/dbraw/zinc/42/32/29/806423229.db2.gz WMLUDASGXLMFAK-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254500332 806420923 /nfs/dbraw/zinc/42/09/23/806420923.db2.gz UUIYIWHUTNPHTD-OAHLLOKOSA-N 2 1 266.816 3.222 20 0 CGADMP C[C@H]([NH3+])c1ccc2c(ccn2[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254500009 806421066 /nfs/dbraw/zinc/42/10/66/806421066.db2.gz RVKUPGZKCZQGKZ-BBRMVZONSA-N 2 1 271.408 3.318 20 0 CGADMP Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254499362 806421256 /nfs/dbraw/zinc/42/12/56/806421256.db2.gz FKBKLDINYQZBDB-IAGOWNOFSA-N 2 1 290.451 3.145 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504804 806424353 /nfs/dbraw/zinc/42/43/53/806424353.db2.gz WKOVXMJJNLHVFW-ZBFHGGJFSA-N 2 1 278.827 3.401 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504798 806425142 /nfs/dbraw/zinc/42/51/42/806425142.db2.gz WKOVXMJJNLHVFW-GDBMZVCRSA-N 2 1 278.827 3.401 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2-c2cccnc2)CC1 ZINC001254507059 806427843 /nfs/dbraw/zinc/42/78/43/806427843.db2.gz FDJITQBHPXOIOH-GOSISDBHSA-N 2 1 295.430 3.323 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254510240 806429934 /nfs/dbraw/zinc/42/99/34/806429934.db2.gz UDJADEKWQKWKJT-CQSZACIVSA-N 2 1 266.816 3.222 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254510240 806429939 /nfs/dbraw/zinc/42/99/39/806429939.db2.gz UDJADEKWQKWKJT-CQSZACIVSA-N 2 1 266.816 3.222 20 0 CGADMP COc1cccc(C(C)(C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254510015 806430080 /nfs/dbraw/zinc/43/00/80/806430080.db2.gz LHPKMXWENTZDKJ-HNNXBMFYSA-N 2 1 276.424 3.004 20 0 CGADMP C[NH2+]Cc1ccc2c(ccn2[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254515708 806436804 /nfs/dbraw/zinc/43/68/04/806436804.db2.gz BDKLGSODFZBIEB-INIZCTEOSA-N 2 1 271.408 3.018 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC3(CCCC3)C2)CC1 ZINC001254519829 806436824 /nfs/dbraw/zinc/43/68/24/806436824.db2.gz KKCBBXGOVRBWJY-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC3(CCCC3)C2)CC1 ZINC001254519829 806436831 /nfs/dbraw/zinc/43/68/31/806436831.db2.gz KKCBBXGOVRBWJY-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001254519829 806436837 /nfs/dbraw/zinc/43/68/37/806436837.db2.gz KKCBBXGOVRBWJY-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1CCC[N@@H+](C)CC1)C2(C)C ZINC001254512574 806432735 /nfs/dbraw/zinc/43/27/35/806432735.db2.gz PAVNAQHHSCKEBR-RFBLXINOSA-N 2 1 264.457 3.131 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517324 806436345 /nfs/dbraw/zinc/43/63/45/806436345.db2.gz ULIRWUOZQAJVTD-SJORKVTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517324 806436349 /nfs/dbraw/zinc/43/63/49/806436349.db2.gz ULIRWUOZQAJVTD-SJORKVTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517324 806436351 /nfs/dbraw/zinc/43/63/51/806436351.db2.gz ULIRWUOZQAJVTD-SJORKVTESA-N 2 1 276.399 3.447 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522814 806438211 /nfs/dbraw/zinc/43/82/11/806438211.db2.gz JOMKLTCTLFJXJF-SJORKVTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522814 806438215 /nfs/dbraw/zinc/43/82/15/806438215.db2.gz JOMKLTCTLFJXJF-SJORKVTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522814 806438217 /nfs/dbraw/zinc/43/82/17/806438217.db2.gz JOMKLTCTLFJXJF-SJORKVTESA-N 2 1 276.399 3.447 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]2c2ccccc2)CC1 ZINC001254521979 806440846 /nfs/dbraw/zinc/44/08/46/806440846.db2.gz ANHJKJZPEUPUEP-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001254521979 806440851 /nfs/dbraw/zinc/44/08/51/806440851.db2.gz ANHJKJZPEUPUEP-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001254521979 806440855 /nfs/dbraw/zinc/44/08/55/806440855.db2.gz ANHJKJZPEUPUEP-IRXDYDNUSA-N 2 1 258.409 3.308 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H]2c2cccs2)CC1 ZINC001254523250 806440881 /nfs/dbraw/zinc/44/08/81/806440881.db2.gz MTCHIHHDTRFZEY-KGLIPLIRSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001254523250 806440885 /nfs/dbraw/zinc/44/08/85/806440885.db2.gz MTCHIHHDTRFZEY-KGLIPLIRSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001254523250 806440889 /nfs/dbraw/zinc/44/08/89/806440889.db2.gz MTCHIHHDTRFZEY-KGLIPLIRSA-N 2 1 264.438 3.369 20 0 CGADMP Cc1cnccc1O[C@@H]1CC[N@H+](C2Cc3ccccc3C2)C1 ZINC001255029505 806530439 /nfs/dbraw/zinc/53/04/39/806530439.db2.gz VMIODSXBELQAFU-GOSISDBHSA-N 2 1 294.398 3.011 20 0 CGADMP CC(C)C[N@@H+](C1CCSCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255087068 806539777 /nfs/dbraw/zinc/53/97/77/806539777.db2.gz BKPKBRMRNRQXII-HDJSIYSDSA-N 2 1 270.486 3.110 20 0 CGADMP CC1(C)C[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389469 806633239 /nfs/dbraw/zinc/63/32/39/806633239.db2.gz MZGUTAILXXBAHN-DLBZAZTESA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001255667261 806700553 /nfs/dbraw/zinc/70/05/53/806700553.db2.gz CKVRVVREJLKEOW-LNRIEFBSSA-N 2 1 288.435 3.101 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2ccccc21 ZINC000085622292 798943190 /nfs/dbraw/zinc/94/31/90/798943190.db2.gz OJORQWDRPDTVPC-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP Cc1cncc([C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001255676823 806702627 /nfs/dbraw/zinc/70/26/27/806702627.db2.gz ODCDCOLNEWIIJV-IPQPSQTFSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cncc([C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001255676823 806702632 /nfs/dbraw/zinc/70/26/32/806702632.db2.gz ODCDCOLNEWIIJV-IPQPSQTFSA-N 2 1 299.462 3.446 20 0 CGADMP COc1ccc2[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)cc(C)c2c1 ZINC000146294399 799048513 /nfs/dbraw/zinc/04/85/13/799048513.db2.gz BCHUCHDNBMTTSS-CHWSQXEVSA-N 2 1 285.391 3.234 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CCCCCCC2)CC[N@H+]1C ZINC000175999462 799093612 /nfs/dbraw/zinc/09/36/12/799093612.db2.gz ATGQQEZUXAFBLS-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc(CCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC000257735969 799174584 /nfs/dbraw/zinc/17/45/84/799174584.db2.gz ROXGOOZSHVDADV-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000307492068 799215708 /nfs/dbraw/zinc/21/57/08/799215708.db2.gz GUNNYCSKZDAJPD-CRAIPNDOSA-N 2 1 281.403 3.322 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000312594571 799229173 /nfs/dbraw/zinc/22/91/73/799229173.db2.gz DGDGHGMGEOAIBS-MRXNPFEDSA-N 2 1 268.404 3.401 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000317254502 799244649 /nfs/dbraw/zinc/24/46/49/799244649.db2.gz PJMQCSGEKSSMQG-MRXNPFEDSA-N 2 1 298.434 3.009 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000381287759 799376393 /nfs/dbraw/zinc/37/63/93/799376393.db2.gz WSEDPALGBKHMSA-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000381287759 799376398 /nfs/dbraw/zinc/37/63/98/799376398.db2.gz WSEDPALGBKHMSA-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP C[C@H]1CCC[C@@](C[NH2+]CC2(C)CCC2)([NH+](C)C)C1 ZINC000386751316 799440076 /nfs/dbraw/zinc/44/00/76/799440076.db2.gz FJDNRMCMHJLXFS-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000386816360 799441293 /nfs/dbraw/zinc/44/12/93/799441293.db2.gz QOAUWDZUKUQQLV-CHPDAQJUSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000386816360 799441296 /nfs/dbraw/zinc/44/12/96/799441296.db2.gz QOAUWDZUKUQQLV-CHPDAQJUSA-N 2 1 284.447 3.397 20 0 CGADMP Cc1cc2[nH]ccc2c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)[nH+]1 ZINC001163364549 806749431 /nfs/dbraw/zinc/74/94/31/806749431.db2.gz DKHAMXIXIQWQFQ-DOMZBBRYSA-N 2 1 286.423 3.402 20 0 CGADMP Clc1ncc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000692874256 799802351 /nfs/dbraw/zinc/80/23/51/799802351.db2.gz USODLNKVRULFNO-GFCCVEGCSA-N 2 1 299.871 3.008 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC000693928116 799818390 /nfs/dbraw/zinc/81/83/90/799818390.db2.gz ZMTWUUXZKMCNPD-HOCLYGCPSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000695353528 799829331 /nfs/dbraw/zinc/82/93/31/799829331.db2.gz ITTYASHKXSJNBZ-MELXAWMUSA-N 2 1 264.457 3.274 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000699302176 799859461 /nfs/dbraw/zinc/85/94/61/799859461.db2.gz RVLMURJEMKYSBH-CVGRLMLNSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)[N@H+](Cc1cccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699305738 799859719 /nfs/dbraw/zinc/85/97/19/799859719.db2.gz QLQIIFHRYVMWTE-GOOCMWNKSA-N 2 1 278.465 3.489 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000700827418 799881531 /nfs/dbraw/zinc/88/15/31/799881531.db2.gz WFDXMXAVEPDDRC-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000700822392 799881851 /nfs/dbraw/zinc/88/18/51/799881851.db2.gz FPAGVORWRFCNAT-HSBZDZAISA-N 2 1 292.389 3.429 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC001255943525 806790931 /nfs/dbraw/zinc/79/09/31/806790931.db2.gz NVTSWNXKHWHAAW-UONOGXRCSA-N 2 1 264.413 3.163 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(OC)c(F)c1 ZINC001255945590 806792218 /nfs/dbraw/zinc/79/22/18/806792218.db2.gz HAWJOBAWIOYHCO-ZDUSSCGKSA-N 2 1 282.403 3.044 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000708235434 799984033 /nfs/dbraw/zinc/98/40/33/799984033.db2.gz GBRKOWWPKWFPRS-KGLIPLIRSA-N 2 1 274.399 3.261 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000708235434 799984036 /nfs/dbraw/zinc/98/40/36/799984036.db2.gz GBRKOWWPKWFPRS-KGLIPLIRSA-N 2 1 274.399 3.261 20 0 CGADMP CCCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708544223 799991074 /nfs/dbraw/zinc/99/10/74/799991074.db2.gz PINGJNNTRNPLIL-NVXWUHKLSA-N 2 1 260.425 3.144 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc2ncoc2c1 ZINC001255950760 806795148 /nfs/dbraw/zinc/79/51/48/806795148.db2.gz KZOMVEMOAOGLHR-ZDUSSCGKSA-N 2 1 275.396 3.038 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000709703379 800015069 /nfs/dbraw/zinc/01/50/69/800015069.db2.gz SVDSOCKIWQXQFR-AWEZNQCLSA-N 2 1 270.461 3.031 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709808073 800018444 /nfs/dbraw/zinc/01/84/44/800018444.db2.gz JUAZHHVRDWYREP-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710765098 800039177 /nfs/dbraw/zinc/03/91/77/800039177.db2.gz JOOGBUWZGPYXEY-UHFFFAOYSA-N 2 1 252.377 3.085 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000710842418 800041999 /nfs/dbraw/zinc/04/19/99/800041999.db2.gz PLUAQZVIBDBZFV-UHFFFAOYSA-N 2 1 278.440 3.425 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC000711051374 800046299 /nfs/dbraw/zinc/04/62/99/800046299.db2.gz UPJOOASKNOMCAI-MRXNPFEDSA-N 2 1 260.425 3.348 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCCC1 ZINC000711088187 800047707 /nfs/dbraw/zinc/04/77/07/800047707.db2.gz BJOPHWHIDQVLKK-HZMVEIRTSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001255957669 806799730 /nfs/dbraw/zinc/79/97/30/806799730.db2.gz UHTZBNYCPYAJCE-RDJZCZTQSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]1c1cccnc1 ZINC001255957669 806799735 /nfs/dbraw/zinc/79/97/35/806799735.db2.gz UHTZBNYCPYAJCE-RDJZCZTQSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCc1ccc(OC)cc1 ZINC001255964093 806801835 /nfs/dbraw/zinc/80/18/35/806801835.db2.gz OKKGHJCWDMOEJJ-MRXNPFEDSA-N 2 1 292.467 3.290 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001255964070 806802639 /nfs/dbraw/zinc/80/26/39/806802639.db2.gz OBUNJYFWDULQOD-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001255964070 806802647 /nfs/dbraw/zinc/80/26/47/806802647.db2.gz OBUNJYFWDULQOD-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc(C)c(Cl)c2)CC1 ZINC000714753340 800128368 /nfs/dbraw/zinc/12/83/68/800128368.db2.gz KHNUZVDZBYZLME-UHFFFAOYSA-N 2 1 266.816 3.352 20 0 CGADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1Cl ZINC000715571793 800139436 /nfs/dbraw/zinc/13/94/36/800139436.db2.gz PZJUHKLKEVSFGI-KGLIPLIRSA-N 2 1 296.842 3.311 20 0 CGADMP Clc1cccc([C@H]2C[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256069141 806808776 /nfs/dbraw/zinc/80/87/76/806808776.db2.gz SAEXEQZXZNHHOS-IAGOWNOFSA-N 2 1 290.838 3.412 20 0 CGADMP CC(F)(F)CCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000718594381 800218625 /nfs/dbraw/zinc/21/86/25/800218625.db2.gz XUSOYOFJECRNQO-OLZOCXBDSA-N 2 1 260.372 3.028 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000718594381 800218629 /nfs/dbraw/zinc/21/86/29/800218629.db2.gz XUSOYOFJECRNQO-OLZOCXBDSA-N 2 1 260.372 3.028 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256110189 806823338 /nfs/dbraw/zinc/82/33/38/806823338.db2.gz WWRCZNQEESYMMS-PVAVHDDUSA-N 2 1 260.425 3.239 20 0 CGADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256113653 806824696 /nfs/dbraw/zinc/82/46/96/806824696.db2.gz SXJULDPDHJGWKL-RYQLBKOJSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001256198010 806847667 /nfs/dbraw/zinc/84/76/67/806847667.db2.gz XRZPGPQCBJUZLE-MRXNPFEDSA-N 2 1 264.388 3.351 20 0 CGADMP C[NH+]1CCC([NH+]2CCC3(CCCc4ccccc43)CC2)CC1 ZINC001256203494 806849729 /nfs/dbraw/zinc/84/97/29/806849729.db2.gz ZCZSNYJXNITXHE-UHFFFAOYSA-N 2 1 298.474 3.451 20 0 CGADMP COc1ccc(NCc2cccc(C[NH+](C)C)c2)[nH+]c1C ZINC001163998177 806870507 /nfs/dbraw/zinc/87/05/07/806870507.db2.gz AAIZJDGQMZGCJY-UHFFFAOYSA-N 2 1 285.391 3.072 20 0 CGADMP CC(C)C[N@@H+]([C@@H](C)Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256408163 806886371 /nfs/dbraw/zinc/88/63/71/806886371.db2.gz VOPQRXLPPLRPJE-BQFCYCMXSA-N 2 1 289.467 3.241 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522190 806909000 /nfs/dbraw/zinc/90/90/00/806909000.db2.gz IKKMFYXLNXLYJG-TXCZRRACSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522190 806909004 /nfs/dbraw/zinc/90/90/04/806909004.db2.gz IKKMFYXLNXLYJG-TXCZRRACSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCn2cccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256524081 806909509 /nfs/dbraw/zinc/90/95/09/806909509.db2.gz UWDSSDLIRHDQJZ-PKOBYXMFSA-N 2 1 297.446 3.131 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCn2cccc2)CC[N@H+]1Cc1ccccc1 ZINC001256524081 806909512 /nfs/dbraw/zinc/90/95/12/806909512.db2.gz UWDSSDLIRHDQJZ-PKOBYXMFSA-N 2 1 297.446 3.131 20 0 CGADMP C[C@H]([NH3+])c1ccn([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256525875 806909732 /nfs/dbraw/zinc/90/97/32/806909732.db2.gz GHFDYMRZBVHACA-YQQAZPJKSA-N 2 1 298.434 3.128 20 0 CGADMP C[C@H]1C[C@H](n2ccc(C[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC001256532028 806910993 /nfs/dbraw/zinc/91/09/93/806910993.db2.gz WPVAVYLTHRUPBW-MAUKXSAKSA-N 2 1 283.419 3.172 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001256569663 806917357 /nfs/dbraw/zinc/91/73/57/806917357.db2.gz MUNDLZVBOBIENO-GASCZTMLSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001256570080 806920083 /nfs/dbraw/zinc/92/00/83/806920083.db2.gz XLJKCSLTKCANLG-INIZCTEOSA-N 2 1 270.436 3.463 20 0 CGADMP C[C@@]1(CF)CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603278 806923814 /nfs/dbraw/zinc/92/38/14/806923814.db2.gz ATRKHHPSSIGLTI-SFHVURJKSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@]1(CF)CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603278 806923821 /nfs/dbraw/zinc/92/38/21/806923821.db2.gz ATRKHHPSSIGLTI-SFHVURJKSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H]([NH3+])c1ccc2c(ccn2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256612728 806925923 /nfs/dbraw/zinc/92/59/23/806925923.db2.gz RRAXARVGPUEFGL-QIXHYMPYSA-N 2 1 283.419 3.459 20 0 CGADMP CC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621256 806928388 /nfs/dbraw/zinc/92/83/88/806928388.db2.gz NANUHHQWXVLNEE-SJPCQFCGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621256 806928393 /nfs/dbraw/zinc/92/83/93/806928393.db2.gz NANUHHQWXVLNEE-SJPCQFCGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621256 806928399 /nfs/dbraw/zinc/92/83/99/806928399.db2.gz NANUHHQWXVLNEE-SJPCQFCGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001116511730 802368060 /nfs/dbraw/zinc/36/80/60/802368060.db2.gz KQCWDLWNCFAGII-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CCC1CCC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001256867038 806995157 /nfs/dbraw/zinc/99/51/57/806995157.db2.gz SZIZMXJLHQIMCV-CKUJCDMFSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172382162 808274944 /nfs/dbraw/zinc/27/49/44/808274944.db2.gz JQYNGPLCLYFULD-OWCLPIDISA-N 2 1 254.462 3.475 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001118180369 802534574 /nfs/dbraw/zinc/53/45/74/802534574.db2.gz HWGPNOFTELNRSJ-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP Cc1c[nH+]ccc1-n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001174537215 809067382 /nfs/dbraw/zinc/06/73/82/809067382.db2.gz CAMIMYKRJNKLNN-UHFFFAOYSA-N 2 1 294.333 3.048 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC001256907488 807007969 /nfs/dbraw/zinc/00/79/69/807007969.db2.gz CKCXYHZJEZRRPT-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1CCC1 ZINC001256907488 807007976 /nfs/dbraw/zinc/00/79/76/807007976.db2.gz CKCXYHZJEZRRPT-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC001205281104 812929256 /nfs/dbraw/zinc/92/92/56/812929256.db2.gz POYGXRPPJRNSTF-GFCCVEGCSA-N 2 1 258.818 3.105 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC001205281104 812929260 /nfs/dbraw/zinc/92/92/60/812929260.db2.gz POYGXRPPJRNSTF-GFCCVEGCSA-N 2 1 258.818 3.105 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2c(F)cc(F)cc2Cl)CC1 ZINC001206506693 813337799 /nfs/dbraw/zinc/33/77/99/813337799.db2.gz LOGFSUGKMUKUEP-UHFFFAOYSA-N 2 1 288.769 3.179 20 0 CGADMP Cc1ccc2c(C[NH+]3CCC([NH+]4CCC4)CC3)c[nH]c2c1 ZINC001136976709 803666953 /nfs/dbraw/zinc/66/69/53/803666953.db2.gz LUEHKXSBDOIIRN-UHFFFAOYSA-N 2 1 283.419 3.146 20 0 CGADMP CN1CCC([N@@H+](C)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137706868 803761885 /nfs/dbraw/zinc/76/18/85/803761885.db2.gz URZVMLUIVUODSM-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001137706868 803761891 /nfs/dbraw/zinc/76/18/91/803761891.db2.gz URZVMLUIVUODSM-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001137706868 803761895 /nfs/dbraw/zinc/76/18/95/803761895.db2.gz URZVMLUIVUODSM-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC001138542700 803965237 /nfs/dbraw/zinc/96/52/37/803965237.db2.gz FNVDLVWFPOSQKA-IAGOWNOFSA-N 2 1 281.403 3.413 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)C[C@H](CC)[NH2+]1 ZINC001246073308 804111746 /nfs/dbraw/zinc/11/17/46/804111746.db2.gz XCJWXZSPIUCFDW-QDMKHBRRSA-N 2 1 264.388 3.225 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[NH2+]1 ZINC001246081934 804118769 /nfs/dbraw/zinc/11/87/69/804118769.db2.gz SXJXHIKGIJNKJF-GJZGRUSLSA-N 2 1 284.806 3.345 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246097774 804129593 /nfs/dbraw/zinc/12/95/93/804129593.db2.gz MRAPRHNXYVZZRM-WFASDCNBSA-N 2 1 282.378 3.221 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113848 804145120 /nfs/dbraw/zinc/14/51/20/804145120.db2.gz OBTDFZBGUDABBW-CJNGLKHVSA-N 2 1 298.833 3.342 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC001246117406 804149253 /nfs/dbraw/zinc/14/92/53/804149253.db2.gz QVUCTUWLZWTMOF-CMPLNLGQSA-N 2 1 287.234 3.266 20 0 CGADMP CCCCC[C@H](CCC)[NH2+][C@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246126298 804154368 /nfs/dbraw/zinc/15/43/68/804154368.db2.gz IWZJXLWMPRHJCM-RDJZCZTQSA-N 2 1 298.471 3.010 20 0 CGADMP CCCC[C@H](CCC)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160626 804177208 /nfs/dbraw/zinc/17/72/08/804177208.db2.gz NTOAXGARVAVOKG-YESZJQIVSA-N 2 1 282.472 3.236 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246161988 804179261 /nfs/dbraw/zinc/17/92/61/804179261.db2.gz UXSBRZFOUWZCAW-YLFCFFPRSA-N 2 1 282.472 3.092 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CC[NH2+]1 ZINC001246168155 804182724 /nfs/dbraw/zinc/18/27/24/804182724.db2.gz XFHGPCZLKLJNGR-IAGOWNOFSA-N 2 1 289.467 3.153 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246166777 804183317 /nfs/dbraw/zinc/18/33/17/804183317.db2.gz CBEWSCPEABPBHI-ZWKOTPCHSA-N 2 1 274.452 3.376 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)C[NH2+]1 ZINC001246176701 804191279 /nfs/dbraw/zinc/19/12/79/804191279.db2.gz ABCMPESQLPXYHD-RISCZKNCSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246190702 804199883 /nfs/dbraw/zinc/19/98/83/804199883.db2.gz RNIAIKPAKLEJBA-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP CCCCC[C@H](C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246219058 804213924 /nfs/dbraw/zinc/21/39/24/804213924.db2.gz FHXUWZAZJVHOBQ-STQMWFEESA-N 2 1 262.388 3.180 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)C[C@@H](C)C1 ZINC001246221044 804214681 /nfs/dbraw/zinc/21/46/81/804214681.db2.gz NHNKYQCNLFMXHX-ZOBORPQBSA-N 2 1 274.399 3.036 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2ccc(OC)c(F)c2)C[C@H](CC)[NH2+]1 ZINC001246225709 804221010 /nfs/dbraw/zinc/22/10/10/804221010.db2.gz NOIBAGLHWYVGAN-KBPBESRZSA-N 2 1 294.414 3.233 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246235916 804228372 /nfs/dbraw/zinc/22/83/72/804228372.db2.gz TWJLDBZQXQPECI-BSWAZPDLSA-N 2 1 258.409 3.053 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246265037 804245645 /nfs/dbraw/zinc/24/56/45/804245645.db2.gz HNIUPLURXDRDJJ-DZGCQCFKSA-N 2 1 280.481 3.066 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]CC[NH2+]CCC ZINC001246268662 804248105 /nfs/dbraw/zinc/24/81/05/804248105.db2.gz JFKAYDOFMRAWTN-KRWDZBQOSA-N 2 1 262.441 3.377 20 0 CGADMP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246274480 804252137 /nfs/dbraw/zinc/25/21/37/804252137.db2.gz UYKRIQNMITUQHH-SOUVJXGZSA-N 2 1 268.445 3.035 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)CC[NH2+]1 ZINC001246281327 804256881 /nfs/dbraw/zinc/25/68/81/804256881.db2.gz NPXIKMCQZHASDF-CWRNSKLLSA-N 2 1 276.399 3.315 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1(C[NH3+])CCCC1 ZINC001246287416 804260148 /nfs/dbraw/zinc/26/01/48/804260148.db2.gz OAPUBNYJRYZZOA-LLVKDONJSA-N 2 1 284.806 3.271 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299054 804267051 /nfs/dbraw/zinc/26/70/51/804267051.db2.gz ICEUKLANWJXGPQ-RDJZCZTQSA-N 2 1 262.441 3.361 20 0 CGADMP COc1ccc2cccc(CCN[C@@H]3CC[C@H](C)[NH2+]C3)c2c1 ZINC001246316031 804277008 /nfs/dbraw/zinc/27/70/08/804277008.db2.gz OHESOTTYGCDIKW-WMLDXEAASA-N 2 1 298.430 3.121 20 0 CGADMP COc1ccc2cccc(CC[NH2+][C@@H]3CC[C@H](C)[NH2+]C3)c2c1 ZINC001246316031 804277012 /nfs/dbraw/zinc/27/70/12/804277012.db2.gz OHESOTTYGCDIKW-WMLDXEAASA-N 2 1 298.430 3.121 20 0 CGADMP c1ccc2c(c1)NC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246355645 804301066 /nfs/dbraw/zinc/30/10/66/804301066.db2.gz LHGIINMZUONAKU-PBHICJAKSA-N 2 1 285.435 3.198 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883172 804310833 /nfs/dbraw/zinc/31/08/33/804310833.db2.gz FWLZHFSSLAUKLJ-AEFFLSMTSA-N 2 1 270.420 3.090 20 0 CGADMP Cc1ccccc1CC(C)(C)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246432214 804329794 /nfs/dbraw/zinc/32/97/94/804329794.db2.gz DIESJKMNTAAUQM-RDJZCZTQSA-N 2 1 274.452 3.294 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC[NH2+]CC2)C1 ZINC001246432802 804331448 /nfs/dbraw/zinc/33/14/48/804331448.db2.gz YBFPMMVNOPAVOC-UONOGXRCSA-N 2 1 276.399 3.183 20 0 CGADMP CCCCCC[C@@H](CCCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246452015 804336802 /nfs/dbraw/zinc/33/68/02/804336802.db2.gz IPBAFOUDAZQQHG-QGZVFWFLSA-N 3 1 285.520 3.434 20 0 CGADMP CC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1-n1ccnc1C ZINC001140025547 804355388 /nfs/dbraw/zinc/35/53/88/804355388.db2.gz CNSMGHTUULIOED-QGZVFWFLSA-N 2 1 297.402 3.124 20 0 CGADMP CC(=O)[C@H]1CCCCN1Cc1ccccc1-n1ccnc1C ZINC001140025547 804355393 /nfs/dbraw/zinc/35/53/93/804355393.db2.gz CNSMGHTUULIOED-QGZVFWFLSA-N 2 1 297.402 3.124 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246514005 804369406 /nfs/dbraw/zinc/36/94/06/804369406.db2.gz ZKZLHXAJMAXVQF-BGTYHANMSA-N 2 1 272.436 3.443 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246519434 804372930 /nfs/dbraw/zinc/37/29/30/804372930.db2.gz OAPYRJMFMRQGPG-BCDXTJNWSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C(C)(C)C)C[NH2+]1 ZINC001246519696 804373069 /nfs/dbraw/zinc/37/30/69/804373069.db2.gz POCQVFIMGCAGGV-HOCLYGCPSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C(C)(C)C)C[NH2+]1 ZINC001246519696 804373077 /nfs/dbraw/zinc/37/30/77/804373077.db2.gz POCQVFIMGCAGGV-HOCLYGCPSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246521081 804376390 /nfs/dbraw/zinc/37/63/90/804376390.db2.gz VSNRQJRSTHYJRD-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246521287 804377190 /nfs/dbraw/zinc/37/71/90/804377190.db2.gz YQXWCHWTQQYGMX-FZKCQIBNSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538248 804387324 /nfs/dbraw/zinc/38/73/24/804387324.db2.gz ATBVVXDBEYBIQU-RISCZKNCSA-N 2 1 284.806 3.223 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3ccccc3[C@H]2C)CC[NH2+]1 ZINC001246540497 804389636 /nfs/dbraw/zinc/38/96/36/804389636.db2.gz AZJAMLLOOSDVBY-BMFZPTHFSA-N 2 1 258.409 3.136 20 0 CGADMP FC1(F)CCCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246545449 804393222 /nfs/dbraw/zinc/39/32/22/804393222.db2.gz GVPDXEFZVKFVEZ-UONOGXRCSA-N 2 1 272.383 3.030 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC001246544929 804393848 /nfs/dbraw/zinc/39/38/48/804393848.db2.gz DNTJSALMBVMFRT-UWWQBHOKSA-N 2 1 272.436 3.382 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001246545003 804394215 /nfs/dbraw/zinc/39/42/15/804394215.db2.gz FXQWQWJHAAVCHF-IUDNXUCKSA-N 2 1 258.409 3.136 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@H+](C2CCCCCCC2)CC1 ZINC001246546295 804394660 /nfs/dbraw/zinc/39/46/60/804394660.db2.gz GCMOVVZORIBUBJ-HNNXBMFYSA-N 2 1 256.409 3.252 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246546390 804394856 /nfs/dbraw/zinc/39/48/56/804394856.db2.gz CRTXXJNZTDCJKN-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001246547027 804395669 /nfs/dbraw/zinc/39/56/69/804395669.db2.gz ADZHFMDKWSOOAJ-GJZGRUSLSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001246547027 804395678 /nfs/dbraw/zinc/39/56/78/804395678.db2.gz ADZHFMDKWSOOAJ-GJZGRUSLSA-N 2 1 278.465 3.159 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246546467 804396486 /nfs/dbraw/zinc/39/64/86/804396486.db2.gz MZPSXEOILMFJID-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246549587 804397302 /nfs/dbraw/zinc/39/73/02/804397302.db2.gz JDYDVICPUOTEKT-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC001246549474 804399468 /nfs/dbraw/zinc/39/94/68/804399468.db2.gz JAZOYEOAYDPQEL-MAUKXSAKSA-N 2 1 274.452 3.111 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001246555379 804403986 /nfs/dbraw/zinc/40/39/86/804403986.db2.gz DVNMLYJVYWMZOL-GJYPPUQNSA-N 2 1 288.479 3.487 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C)C2)CC[NH2+]1 ZINC001246556521 804406841 /nfs/dbraw/zinc/40/68/41/804406841.db2.gz HMUFJASUKSFRKE-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246558273 804408154 /nfs/dbraw/zinc/40/81/54/804408154.db2.gz OUDAWLXSNAOQLN-JKSUJKDBSA-N 2 1 296.405 3.314 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](F)CC2)CC[NH2+]1 ZINC001246560052 804408224 /nfs/dbraw/zinc/40/82/24/804408224.db2.gz RNMIHUUNYUOJFI-KFWWJZLASA-N 2 1 256.409 3.121 20 0 CGADMP C[C@H]1CC[N@H+](C2CCCCCCC2)CC[C@@H]1C[NH3+] ZINC001246560727 804409642 /nfs/dbraw/zinc/40/96/42/804409642.db2.gz SGQCVGZDVQVZEB-LSDHHAIUSA-N 2 1 252.446 3.406 20 0 CGADMP CCC1CCC([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CC1 ZINC001246562638 804412222 /nfs/dbraw/zinc/41/22/22/804412222.db2.gz VWBLNDKKMHBZFF-UIDBIOKJSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246569364 804417075 /nfs/dbraw/zinc/41/70/75/804417075.db2.gz CFLHLJIRAOEZKC-QXSJWSMHSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@@H](C)C2)CC[NH2+]1 ZINC001246571161 804418975 /nfs/dbraw/zinc/41/89/75/804418975.db2.gz HRVVIWHMBZDVJX-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1C ZINC001246573683 804420614 /nfs/dbraw/zinc/42/06/14/804420614.db2.gz LQBICPDKUVQTJF-VQHPVUNQSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001246577226 804422559 /nfs/dbraw/zinc/42/25/59/804422559.db2.gz NQEDQXWRHKJHNA-YJBOKZPZSA-N 2 1 290.426 3.134 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC(C)(C)C1 ZINC001246579857 804424755 /nfs/dbraw/zinc/42/47/55/804424755.db2.gz LYMHNHUBSMWFLN-IJEWVQPXSA-N 2 1 270.436 3.354 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC(C)(C)C1 ZINC001246579857 804424757 /nfs/dbraw/zinc/42/47/57/804424757.db2.gz LYMHNHUBSMWFLN-IJEWVQPXSA-N 2 1 270.436 3.354 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246581718 804426313 /nfs/dbraw/zinc/42/63/13/804426313.db2.gz AIGSTIADUPGQOD-WBVHZDCISA-N 2 1 290.476 3.154 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246583446 804427596 /nfs/dbraw/zinc/42/75/96/804427596.db2.gz QYUTYDRQZQMDEY-ZIAGYGMSSA-N 2 1 280.843 3.332 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246584541 804427758 /nfs/dbraw/zinc/42/77/58/804427758.db2.gz NLSALBTVKYAZPL-MSOLQXFVSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001246584459 804428646 /nfs/dbraw/zinc/42/86/46/804428646.db2.gz NBKNISMJIJTGCJ-FUHWJXTLSA-N 2 1 274.452 3.377 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@](C)(C[NH3+])C1)C2 ZINC001246588692 804431696 /nfs/dbraw/zinc/43/16/96/804431696.db2.gz CCDYTWXGKNEWDS-PKOBYXMFSA-N 2 1 286.463 3.303 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001246592682 804434814 /nfs/dbraw/zinc/43/48/14/804434814.db2.gz GTAGTCVUXSGDDR-CABCVRRESA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001246592682 804434819 /nfs/dbraw/zinc/43/48/19/804434819.db2.gz GTAGTCVUXSGDDR-CABCVRRESA-N 2 1 278.465 3.159 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598492 804436531 /nfs/dbraw/zinc/43/65/31/804436531.db2.gz ANIQTKQHHFUBSY-MOPGFXCFSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598492 804436535 /nfs/dbraw/zinc/43/65/35/804436535.db2.gz ANIQTKQHHFUBSY-MOPGFXCFSA-N 2 1 286.463 3.472 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246596485 804436815 /nfs/dbraw/zinc/43/68/15/804436815.db2.gz ZOQRKYPHFSDPHF-KKUMJFAQSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246596485 804436818 /nfs/dbraw/zinc/43/68/18/804436818.db2.gz ZOQRKYPHFSDPHF-KKUMJFAQSA-N 2 1 258.425 3.497 20 0 CGADMP C1C[N@@H+](C2CCCCCC2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246602932 804440008 /nfs/dbraw/zinc/44/00/08/804440008.db2.gz FDNSJAGYOOXLEG-MRXNPFEDSA-N 2 1 250.430 3.317 20 0 CGADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246607256 804441305 /nfs/dbraw/zinc/44/13/05/804441305.db2.gz CUSDLKQVOVFNMB-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP CCOCC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246610350 804444733 /nfs/dbraw/zinc/44/47/33/804444733.db2.gz QSGFMUKQHAGYLA-DLBZAZTESA-N 2 1 282.472 3.047 20 0 CGADMP FC(F)(F)C1CCC([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246611622 804447003 /nfs/dbraw/zinc/44/70/03/804447003.db2.gz UUTYXXOEIDBIEY-JXQTWKCFSA-N 2 1 290.373 3.326 20 0 CGADMP FC(F)(F)C1CCC([N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246611622 804447009 /nfs/dbraw/zinc/44/70/09/804447009.db2.gz UUTYXXOEIDBIEY-JXQTWKCFSA-N 2 1 290.373 3.326 20 0 CGADMP C1CC12CCC([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617838 804451809 /nfs/dbraw/zinc/45/18/09/804451809.db2.gz ZSNRIGNFPWXJLK-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246623535 804455530 /nfs/dbraw/zinc/45/55/30/804455530.db2.gz AOZUEHCJBNRLAL-OWSLCNJRSA-N 2 1 270.420 3.149 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246624769 804457155 /nfs/dbraw/zinc/45/71/55/804457155.db2.gz RZAXRWPDYUKERE-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246624769 804457158 /nfs/dbraw/zinc/45/71/58/804457158.db2.gz RZAXRWPDYUKERE-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246630926 804460071 /nfs/dbraw/zinc/46/00/71/804460071.db2.gz MCVBDOWOGGMLPJ-FGTMMUONSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(C1)CCCC[NH2+]3)CC2 ZINC001246629077 804461125 /nfs/dbraw/zinc/46/11/25/804461125.db2.gz ZLMHBVSCQCBGDW-RTBURBONSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(C1)CCCC[NH2+]3)CC2 ZINC001246629077 804461131 /nfs/dbraw/zinc/46/11/31/804461131.db2.gz ZLMHBVSCQCBGDW-RTBURBONSA-N 2 1 284.447 3.070 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246630981 804461302 /nfs/dbraw/zinc/46/13/02/804461302.db2.gz QKOYMHQDXZYHIT-APWZRJJASA-N 2 1 286.463 3.256 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246632493 804462092 /nfs/dbraw/zinc/46/20/92/804462092.db2.gz VXVJIQMEOTWDSJ-RHSMWYFYSA-N 2 1 292.854 3.347 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246631770 804462164 /nfs/dbraw/zinc/46/21/64/804462164.db2.gz RZVRRXJWFMZOTR-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)C2)cc1 ZINC001246631872 804462197 /nfs/dbraw/zinc/46/21/97/804462197.db2.gz UALHDKOMPQBZKS-WNRNVDISSA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246631239 804462229 /nfs/dbraw/zinc/46/22/29/804462229.db2.gz BWPNGJWCCUPSIC-GOEBONIOSA-N 2 1 252.446 3.131 20 0 CGADMP CCCCCC[C@H](CCC)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246632255 804462551 /nfs/dbraw/zinc/46/25/51/804462551.db2.gz WHPBIZXYDHLQIN-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246632255 804462554 /nfs/dbraw/zinc/46/25/54/804462554.db2.gz WHPBIZXYDHLQIN-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP C1[NH2+]CC12CC[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001246631815 804462705 /nfs/dbraw/zinc/46/27/05/804462705.db2.gz SRFMWVQFHNZWMX-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631796 804463010 /nfs/dbraw/zinc/46/30/10/804463010.db2.gz SPESOCAVJTZVDF-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634177 804463941 /nfs/dbraw/zinc/46/39/41/804463941.db2.gz ASJIZJQFKPLQGN-IAGOWNOFSA-N 2 1 282.472 3.047 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634038 804463989 /nfs/dbraw/zinc/46/39/89/804463989.db2.gz GUBOJCTVXRJUHH-QZTJIDSGSA-N 2 1 296.499 3.437 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633403 804464705 /nfs/dbraw/zinc/46/47/05/804464705.db2.gz DVJRBCGVOWKONX-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633403 804464710 /nfs/dbraw/zinc/46/47/10/804464710.db2.gz DVJRBCGVOWKONX-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)C[C@H]1C ZINC001246634818 804465411 /nfs/dbraw/zinc/46/54/11/804465411.db2.gz AXRPOINIUVSKIH-APIJFGDWSA-N 2 1 286.410 3.132 20 0 CGADMP CCCC1CCC([N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246638388 804467169 /nfs/dbraw/zinc/46/71/69/804467169.db2.gz LDAIZOMVSNHZLH-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP FC1(F)CC[NH2+]C[C@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246641131 804468751 /nfs/dbraw/zinc/46/87/51/804468751.db2.gz WIHPXUJNQPEXJM-HNNXBMFYSA-N 2 1 286.410 3.420 20 0 CGADMP FC1(F)CC[NH2+]C[C@@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246641135 804469048 /nfs/dbraw/zinc/46/90/48/804469048.db2.gz WIHPXUJNQPEXJM-OAHLLOKOSA-N 2 1 286.410 3.420 20 0 CGADMP CCCCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246642219 804469101 /nfs/dbraw/zinc/46/91/01/804469101.db2.gz ZSWZOYYWZLDFPA-UONOGXRCSA-N 2 1 274.399 3.276 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246648086 804475521 /nfs/dbraw/zinc/47/55/21/804475521.db2.gz OILGHQIKHCNQQS-YRXWBPOGSA-N 2 1 284.447 3.254 20 0 CGADMP C1CCC([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001246647903 804475602 /nfs/dbraw/zinc/47/56/02/804475602.db2.gz VAILTSBXJUFTKT-MRXNPFEDSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653243 804479036 /nfs/dbraw/zinc/47/90/36/804479036.db2.gz RPUCEKPQAZTAGM-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653243 804479038 /nfs/dbraw/zinc/47/90/38/804479038.db2.gz RPUCEKPQAZTAGM-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@@]23CCC[NH2+]C3)C1 ZINC001246654540 804480625 /nfs/dbraw/zinc/48/06/25/804480625.db2.gz WKLMQICMZDCVRQ-PMPSAXMXSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246668234 804488525 /nfs/dbraw/zinc/48/85/25/804488525.db2.gz MNJYBAKAHQOFED-GUDVDZBRSA-N 2 1 286.463 3.185 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246674949 804490781 /nfs/dbraw/zinc/49/07/81/804490781.db2.gz PFSAOGUALCMLOX-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246676715 804491834 /nfs/dbraw/zinc/49/18/34/804491834.db2.gz FUOIEYNXQVNLHV-PKOBYXMFSA-N 2 1 286.463 3.329 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246676306 804492024 /nfs/dbraw/zinc/49/20/24/804492024.db2.gz ZAAPOKMMEJYZER-YTQUADARSA-N 2 1 286.463 3.428 20 0 CGADMP C1C[NH2+]C[C@H]([C@H]2CCC[N@H+](C3CCCCCC3)C2)C1 ZINC001246678483 804493370 /nfs/dbraw/zinc/49/33/70/804493370.db2.gz OFPOPUVBQCHYQV-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246684900 804495552 /nfs/dbraw/zinc/49/55/52/804495552.db2.gz BMUCHONBEFDYEO-KRWDZBQOSA-N 2 1 260.425 3.082 20 0 CGADMP CC[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246690014 804497611 /nfs/dbraw/zinc/49/76/11/804497611.db2.gz RWTRJSQKWJVOME-UAGQMJEPSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)C[C@H](CC)[NH2+]1 ZINC001246756907 804500564 /nfs/dbraw/zinc/50/05/64/804500564.db2.gz AMERWRNYBORYNW-ZMSHIADSSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@H]1CCCCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246767870 804500735 /nfs/dbraw/zinc/50/07/35/804500735.db2.gz CLGNSRQROSLQNO-FHERZECASA-N 2 1 250.430 3.173 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246771178 804502729 /nfs/dbraw/zinc/50/27/29/804502729.db2.gz VVXZBDRWWKFJKU-PIIMJCKOSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246773624 804504003 /nfs/dbraw/zinc/50/40/03/804504003.db2.gz BVVVPSIVUFGVFK-JQHSSLGASA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246777034 804505994 /nfs/dbraw/zinc/50/59/94/804505994.db2.gz PHDONMLDURKKGQ-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246781274 804508767 /nfs/dbraw/zinc/50/87/67/804508767.db2.gz FAUBBLLRWMDFRE-KYHPRHEASA-N 2 1 288.435 3.059 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@H]1C ZINC001246787910 804511685 /nfs/dbraw/zinc/51/16/85/804511685.db2.gz FSOSRAOTJLTPIT-XNIRIUNOSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791502 804514996 /nfs/dbraw/zinc/51/49/96/804514996.db2.gz KDLNHUDEINGWEK-LSDHHAIUSA-N 2 1 252.446 3.133 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246793016 804515294 /nfs/dbraw/zinc/51/52/94/804515294.db2.gz CFHZPOYNDBPRSR-HZPDHXFCSA-N 2 1 276.399 3.493 20 0 CGADMP Clc1ccccc1[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246791297 804515318 /nfs/dbraw/zinc/51/53/18/804515318.db2.gz OGEYIWIHWUNXGC-OAHLLOKOSA-N 2 1 264.800 3.229 20 0 CGADMP Clc1ccccc1[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246791297 804515325 /nfs/dbraw/zinc/51/53/25/804515325.db2.gz OGEYIWIHWUNXGC-OAHLLOKOSA-N 2 1 264.800 3.229 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001246791489 804515596 /nfs/dbraw/zinc/51/55/96/804515596.db2.gz JWBRJLICZJWOTF-HNNXBMFYSA-N 2 1 290.476 3.161 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001246791489 804515600 /nfs/dbraw/zinc/51/56/00/804515600.db2.gz JWBRJLICZJWOTF-HNNXBMFYSA-N 2 1 290.476 3.161 20 0 CGADMP FC(F)(F)c1cccc([C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246795835 804517507 /nfs/dbraw/zinc/51/75/07/804517507.db2.gz KLKOIGVLKMZKLM-ZDUSSCGKSA-N 2 1 298.352 3.247 20 0 CGADMP Cc1cccc2c1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801954 804520564 /nfs/dbraw/zinc/52/05/64/804520564.db2.gz LQIUANALISUMIT-UHFFFAOYSA-N 2 1 277.371 3.430 20 0 CGADMP Cc1cccc2c1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801954 804520565 /nfs/dbraw/zinc/52/05/65/804520565.db2.gz LQIUANALISUMIT-UHFFFAOYSA-N 2 1 277.371 3.430 20 0 CGADMP C[N@@H+](CC1CCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246804127 804523450 /nfs/dbraw/zinc/52/34/50/804523450.db2.gz LQBWBTDRLRCCAL-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC001246803389 804524008 /nfs/dbraw/zinc/52/40/08/804524008.db2.gz JTGCZKAXGIAVPR-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+](Cc1ccsc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807107 804524367 /nfs/dbraw/zinc/52/43/67/804524367.db2.gz MEPZCBBZSFRYEB-UHFFFAOYSA-N 2 1 257.362 3.256 20 0 CGADMP C[N@@H+](Cc1ccsc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807107 804524369 /nfs/dbraw/zinc/52/43/69/804524369.db2.gz MEPZCBBZSFRYEB-UHFFFAOYSA-N 2 1 257.362 3.256 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC001246809458 804526639 /nfs/dbraw/zinc/52/66/39/804526639.db2.gz WMZWJRZHJFPXHT-HUUCEWRRSA-N 2 1 278.465 3.417 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC001246809458 804526643 /nfs/dbraw/zinc/52/66/43/804526643.db2.gz WMZWJRZHJFPXHT-HUUCEWRRSA-N 2 1 278.465 3.417 20 0 CGADMP C[N@H+](Cc1ccsc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246814206 804529950 /nfs/dbraw/zinc/52/99/50/804529950.db2.gz OIRZQIGUVSAPDK-ZIAGYGMSSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](Cc1ccsc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246814206 804529954 /nfs/dbraw/zinc/52/99/54/804529954.db2.gz OIRZQIGUVSAPDK-ZIAGYGMSSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246812999 804530885 /nfs/dbraw/zinc/53/08/85/804530885.db2.gz HFRDSJQZFCDTMJ-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246819606 804533793 /nfs/dbraw/zinc/53/37/93/804533793.db2.gz DKOUBQYYFVBSIY-AWEZNQCLSA-N 2 1 280.843 3.345 20 0 CGADMP c1ccc2c(c1)CCC[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246817233 804534230 /nfs/dbraw/zinc/53/42/30/804534230.db2.gz OSJTZEUNPNHIHM-MOPGFXCFSA-N 2 1 284.447 3.357 20 0 CGADMP C1C[C@@H]2CCC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)[C@@H]2C1 ZINC001246821631 804535216 /nfs/dbraw/zinc/53/52/16/804535216.db2.gz TVGDSAOCKGOCKD-QBPKDAKJSA-N 2 1 262.441 3.173 20 0 CGADMP CC[C@H]1CC([N@H+]2CCC3(CCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246828642 804538624 /nfs/dbraw/zinc/53/86/24/804538624.db2.gz DWXHILVYDLXRQQ-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP COCC[N@@H+]([C@@H](C)C[C@@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC001246838623 804546259 /nfs/dbraw/zinc/54/62/59/804546259.db2.gz ZBTKWMRDIDRMNA-HOTGVXAUSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H]1CC([N@@H+]2CC[C@H]3CCCC[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC001246837632 804546686 /nfs/dbraw/zinc/54/66/86/804546686.db2.gz PKAMHYHGNYZYPZ-TUVASFSCSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@H]3CCCC[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC001246837632 804546688 /nfs/dbraw/zinc/54/66/88/804546688.db2.gz PKAMHYHGNYZYPZ-TUVASFSCSA-N 2 1 250.430 3.028 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001246840284 804547764 /nfs/dbraw/zinc/54/77/64/804547764.db2.gz WBDRTEKZBPNJFH-VSZNYVQBSA-N 2 1 276.468 3.421 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246841769 804549923 /nfs/dbraw/zinc/54/99/23/804549923.db2.gz OGXLEZWUKYODGW-QKPAOTATSA-N 2 1 252.446 3.405 20 0 CGADMP CCCC1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC1 ZINC001246841054 804550209 /nfs/dbraw/zinc/55/02/09/804550209.db2.gz LJTBZMQNYAEQDD-VBFVWNODSA-N 2 1 250.430 3.014 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246845796 804554411 /nfs/dbraw/zinc/55/44/11/804554411.db2.gz LXSRINKTYKMMLS-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246844829 804554608 /nfs/dbraw/zinc/55/46/08/804554608.db2.gz CXFDQMVHSXRVLU-ZBFHGGJFSA-N 2 1 276.399 3.146 20 0 CGADMP CCC(CC)[N@@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246846100 804554630 /nfs/dbraw/zinc/55/46/30/804554630.db2.gz PHADSDFZXKQLIZ-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246847237 804556065 /nfs/dbraw/zinc/55/60/65/804556065.db2.gz RJTZFSONEDQTCJ-JKSUJKDBSA-N 2 1 278.827 3.011 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246849332 804560145 /nfs/dbraw/zinc/56/01/45/804560145.db2.gz ZRFLEKQFVOYWLT-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246849171 804560697 /nfs/dbraw/zinc/56/06/97/804560697.db2.gz ZEHNTACLGREZFP-ZWKOTPCHSA-N 2 1 274.452 3.457 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246853606 804563881 /nfs/dbraw/zinc/56/38/81/804563881.db2.gz NCQKATSOIAGJIB-XDNAFOTISA-N 2 1 270.420 3.136 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001246855170 804564049 /nfs/dbraw/zinc/56/40/49/804564049.db2.gz VGDLRLGQRUWCHT-TZMCWYRMSA-N 2 1 266.816 3.127 20 0 CGADMP Fc1cccc2c1CC[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246862138 804565818 /nfs/dbraw/zinc/56/58/18/804565818.db2.gz LQHLTORROVKZRD-QAPCUYQASA-N 2 1 288.410 3.106 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870615 804571263 /nfs/dbraw/zinc/57/12/63/804571263.db2.gz YSZHKJCBGWPHOY-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870615 804571268 /nfs/dbraw/zinc/57/12/68/804571268.db2.gz YSZHKJCBGWPHOY-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870608 804571661 /nfs/dbraw/zinc/57/16/61/804571661.db2.gz YSZHKJCBGWPHOY-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870608 804571667 /nfs/dbraw/zinc/57/16/67/804571667.db2.gz YSZHKJCBGWPHOY-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001246868607 804572075 /nfs/dbraw/zinc/57/20/75/804572075.db2.gz BJDUHLRDKJRFJR-QWHCGFSZSA-N 2 1 280.843 3.300 20 0 CGADMP Fc1ccc2c(c1)CC[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246877299 804574429 /nfs/dbraw/zinc/57/44/29/804574429.db2.gz BOGOJYITVZGJJA-KRWDZBQOSA-N 2 1 288.410 3.106 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]1 ZINC001246875075 804575415 /nfs/dbraw/zinc/57/54/15/804575415.db2.gz MBANTTAQUSJAGS-NHYWBVRUSA-N 2 1 298.352 3.204 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]1 ZINC001246875075 804575421 /nfs/dbraw/zinc/57/54/21/804575421.db2.gz MBANTTAQUSJAGS-NHYWBVRUSA-N 2 1 298.352 3.204 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246876907 804575517 /nfs/dbraw/zinc/57/55/17/804575517.db2.gz ILYPJIJYSNFGDX-GGPKGHCWSA-N 2 1 298.474 3.428 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246881059 804577837 /nfs/dbraw/zinc/57/78/37/804577837.db2.gz GOZKTEZILKIQNZ-CKUJCDMFSA-N 2 1 264.457 3.275 20 0 CGADMP Fc1ccc2c(c1)CC[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246883940 804579615 /nfs/dbraw/zinc/57/96/15/804579615.db2.gz YSRWBRCGJNOPIW-UHFFFAOYSA-N 2 1 288.410 3.106 20 0 CGADMP C[C@@H]1CC([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246890971 804583391 /nfs/dbraw/zinc/58/33/91/804583391.db2.gz IGHNQBMCSZRZQL-HUUCEWRRSA-N 2 1 274.452 3.469 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH+]2CC(C)(C)OC(C)(C)C2)CC[NH2+]1 ZINC001246895082 804584605 /nfs/dbraw/zinc/58/46/05/804584605.db2.gz PBRGXDDCIFPIAW-GJZGRUSLSA-N 2 1 282.472 3.187 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)C1CCc2ccccc2CC1 ZINC001246895392 804584713 /nfs/dbraw/zinc/58/47/13/804584713.db2.gz CDEIIEDDWDGBJN-UHFFFAOYSA-N 2 1 286.463 3.398 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246905694 804589424 /nfs/dbraw/zinc/58/94/24/804589424.db2.gz FSBMXUDFTGRJBI-GFCCVEGCSA-N 2 1 298.833 3.484 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246906000 804589826 /nfs/dbraw/zinc/58/98/26/804589826.db2.gz CGPCUQKDDJVEOH-BCDXTJNWSA-N 2 1 272.436 3.490 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](CC)Cc2ccc(C)cc2)CC[NH2+]1 ZINC001246906266 804591525 /nfs/dbraw/zinc/59/15/25/804591525.db2.gz DLWXMBPPLXTLJG-DLBZAZTESA-N 2 1 260.425 3.348 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246908407 804593014 /nfs/dbraw/zinc/59/30/14/804593014.db2.gz ASWXGBDHLRLXOK-ZWKOTPCHSA-N 2 1 290.426 3.222 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246908121 804593569 /nfs/dbraw/zinc/59/35/69/804593569.db2.gz LHVKLLCEJMQKSB-JWTNVVGKSA-N 2 1 270.420 3.184 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246913462 804596819 /nfs/dbraw/zinc/59/68/19/804596819.db2.gz XHTGFXOJHUDTCP-NOLJZWGESA-N 2 1 294.439 3.133 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CSc3ccccc3C2)CC1 ZINC001246918631 804600602 /nfs/dbraw/zinc/60/06/02/804600602.db2.gz LNHWILARWJZRIX-GPANFISMSA-N 2 1 290.476 3.166 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC001246921291 804602482 /nfs/dbraw/zinc/60/24/82/804602482.db2.gz PKAMHYHGNYZYPZ-YIDVYQOGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC001246921291 804602485 /nfs/dbraw/zinc/60/24/85/804602485.db2.gz PKAMHYHGNYZYPZ-YIDVYQOGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC(C)(C)C1 ZINC001246929845 804605008 /nfs/dbraw/zinc/60/50/08/804605008.db2.gz HBOZZYOODQMNSB-CAOSSQGBSA-N 2 1 264.457 3.133 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC001246931963 804606906 /nfs/dbraw/zinc/60/69/06/804606906.db2.gz GDVXFBOMZHMUFI-CLRIEMFWSA-N 2 1 292.389 3.413 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937888 804608171 /nfs/dbraw/zinc/60/81/71/804608171.db2.gz NIILJJDFPUMWQQ-VYDXJSESSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935807 804608659 /nfs/dbraw/zinc/60/86/59/804608659.db2.gz WUTFRWRIVXMYRJ-CWRNSKLLSA-N 2 1 292.854 3.202 20 0 CGADMP C1CCC2(C1)CCC([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CC2 ZINC001246944392 804611813 /nfs/dbraw/zinc/61/18/13/804611813.db2.gz XDEUNKXHJXAKCO-IYBDPMFKSA-N 2 1 276.468 3.421 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246948990 804616972 /nfs/dbraw/zinc/61/69/72/804616972.db2.gz HHPOMFDEEBNAHX-NVXWUHKLSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(C)cc1 ZINC001246971397 804622245 /nfs/dbraw/zinc/62/22/45/804622245.db2.gz BAYILTNINDHJDV-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001246972418 804623214 /nfs/dbraw/zinc/62/32/14/804623214.db2.gz FAAWQOMWMUEYMW-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246975053 804623790 /nfs/dbraw/zinc/62/37/90/804623790.db2.gz RZBMJXPNKDRFQV-JXFKEZNVSA-N 2 1 298.474 3.316 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246978658 804625795 /nfs/dbraw/zinc/62/57/95/804625795.db2.gz ITKYIBILHJWXNN-ZRNYENFQSA-N 2 1 298.474 3.329 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984548 804628685 /nfs/dbraw/zinc/62/86/85/804628685.db2.gz IYQNVQUHSSMMDA-IRXDYDNUSA-N 2 1 297.531 3.207 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984548 804628690 /nfs/dbraw/zinc/62/86/90/804628690.db2.gz IYQNVQUHSSMMDA-IRXDYDNUSA-N 2 1 297.531 3.207 20 0 CGADMP CC[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246984067 804629137 /nfs/dbraw/zinc/62/91/37/804629137.db2.gz HFKDPOPSXDWRKW-NXHRZFHOSA-N 2 1 272.436 3.082 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC001247004340 804635529 /nfs/dbraw/zinc/63/55/29/804635529.db2.gz OYICGPJAGBBZQH-SJORKVTESA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247006257 804637161 /nfs/dbraw/zinc/63/71/61/804637161.db2.gz XMSMJNBPDTWMGW-BBRMVZONSA-N 2 1 280.843 3.332 20 0 CGADMP C1C[NH2+][C@@H]2CC[N@@H+](C3CCCCCCC3)C[C@H]2C1 ZINC001247016160 804643601 /nfs/dbraw/zinc/64/36/01/804643601.db2.gz SCGVCPBLAWWNRA-GDBMZVCRSA-N 2 1 250.430 3.173 20 0 CGADMP C1C[NH2+][C@@H]2CC[N@H+](C3CCCCCCC3)C[C@H]2C1 ZINC001247016160 804643605 /nfs/dbraw/zinc/64/36/05/804643605.db2.gz SCGVCPBLAWWNRA-GDBMZVCRSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001247017351 804644967 /nfs/dbraw/zinc/64/49/67/804644967.db2.gz TUCQVUVMRHEOFP-NSHDSACASA-N 2 1 297.240 3.194 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2cc[nH+]c(C3CC3)c2)C1 ZINC001165290266 806988707 /nfs/dbraw/zinc/98/87/07/806988707.db2.gz RHISJUYSXIWGSD-CYBMUJFWSA-N 2 1 259.397 3.103 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2scnc2c1 ZINC001144744303 805050208 /nfs/dbraw/zinc/05/02/08/805050208.db2.gz PDKRPPJUVLYVPT-UHFFFAOYSA-N 2 1 277.437 3.070 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2scnc2c1 ZINC001144744303 805050216 /nfs/dbraw/zinc/05/02/16/805050216.db2.gz PDKRPPJUVLYVPT-UHFFFAOYSA-N 2 1 277.437 3.070 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc2cc[nH]c21 ZINC001249525020 805165224 /nfs/dbraw/zinc/16/52/24/805165224.db2.gz WHCDVNOVHKCDKM-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc2cc[nH]c21 ZINC001249525020 805165229 /nfs/dbraw/zinc/16/52/29/805165229.db2.gz WHCDVNOVHKCDKM-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP CCOc1cc(C)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001250181140 805467596 /nfs/dbraw/zinc/46/75/96/805467596.db2.gz AOJLCDIPPJJONN-UHFFFAOYSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cccc(C2CC2)[nH+]1 ZINC001155028603 805526301 /nfs/dbraw/zinc/52/63/01/805526301.db2.gz DGRLGTUBYHEPHR-GXTWGEPZSA-N 2 1 259.397 3.007 20 0 CGADMP c1cc(NCc2ccc3c(c2)CC[NH2+]C3)[nH+]c(C2CC2)c1 ZINC001155272671 805566992 /nfs/dbraw/zinc/56/69/92/805566992.db2.gz SUAORCJNJXFTTD-UHFFFAOYSA-N 2 1 279.387 3.217 20 0 CGADMP c1cc(N2CCC([N@H+]3CCC[C@@H]4CCC[C@@H]43)CC2)cc[nH+]1 ZINC001256860892 806992445 /nfs/dbraw/zinc/99/24/45/806992445.db2.gz HIUPJGXNKLQSPQ-YJBOKZPZSA-N 2 1 285.435 3.315 20 0 CGADMP Cc1c[nH+]c(N2CCCC[C@H]2C2CC[NH2+]CC2)c(C)c1 ZINC001165323505 806993476 /nfs/dbraw/zinc/99/34/76/806993476.db2.gz KXKRHNXFCWXERP-INIZCTEOSA-N 2 1 273.424 3.057 20 0 CGADMP Cc1noc2ccc(C[NH2+]C3CC[NH+](C(C)C)CC3)cc12 ZINC001257211466 807062088 /nfs/dbraw/zinc/06/20/88/807062088.db2.gz LPUPBADPGFUECA-UHFFFAOYSA-N 2 1 287.407 3.099 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[N@@H+]3CC[C@H]([NH3+])C3)ccc2c1 ZINC001257273506 807085957 /nfs/dbraw/zinc/08/59/57/807085957.db2.gz PVRLSQHAVCOLRZ-KSSFIOAISA-N 2 1 298.430 3.203 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@H]([NH3+])C3)ccc2c1 ZINC001257273506 807085965 /nfs/dbraw/zinc/08/59/65/807085965.db2.gz PVRLSQHAVCOLRZ-KSSFIOAISA-N 2 1 298.430 3.203 20 0 CGADMP CCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257321970 807106409 /nfs/dbraw/zinc/10/64/09/807106409.db2.gz PBJZULQVJBUMDX-LSDHHAIUSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257321970 807106411 /nfs/dbraw/zinc/10/64/11/807106411.db2.gz PBJZULQVJBUMDX-LSDHHAIUSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001257321970 807106415 /nfs/dbraw/zinc/10/64/15/807106415.db2.gz PBJZULQVJBUMDX-LSDHHAIUSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001257321970 807106417 /nfs/dbraw/zinc/10/64/17/807106417.db2.gz PBJZULQVJBUMDX-LSDHHAIUSA-N 2 1 292.471 3.289 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001257446499 807161291 /nfs/dbraw/zinc/16/12/91/807161291.db2.gz NJOCWEWSDHBVCP-RYQLBKOJSA-N 2 1 272.436 3.239 20 0 CGADMP c1coc(C[N@H+]2C[C@H]3C[C@H](C[NH+](C4CCCCC4)C3)C2)c1 ZINC001257457552 807167209 /nfs/dbraw/zinc/16/72/09/807167209.db2.gz JWYIPQPJPLQUMD-IYBDPMFKSA-N 2 1 288.435 3.366 20 0 CGADMP c1coc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](C4CCCCC4)C3)C2)c1 ZINC001257457552 807167211 /nfs/dbraw/zinc/16/72/11/807167211.db2.gz JWYIPQPJPLQUMD-IYBDPMFKSA-N 2 1 288.435 3.366 20 0 CGADMP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](C2CCCCC2)C3)c1 ZINC001257457552 807167215 /nfs/dbraw/zinc/16/72/15/807167215.db2.gz JWYIPQPJPLQUMD-IYBDPMFKSA-N 2 1 288.435 3.366 20 0 CGADMP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](C2CCCCC2)C3)c1 ZINC001257457552 807167217 /nfs/dbraw/zinc/16/72/17/807167217.db2.gz JWYIPQPJPLQUMD-IYBDPMFKSA-N 2 1 288.435 3.366 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257483417 807178580 /nfs/dbraw/zinc/17/85/80/807178580.db2.gz WBKFSQZLLJZSDV-YHUYYLMFSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257483417 807178583 /nfs/dbraw/zinc/17/85/83/807178583.db2.gz WBKFSQZLLJZSDV-YHUYYLMFSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257483417 807178588 /nfs/dbraw/zinc/17/85/88/807178588.db2.gz WBKFSQZLLJZSDV-YHUYYLMFSA-N 2 1 252.446 3.085 20 0 CGADMP CCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001257520224 807193316 /nfs/dbraw/zinc/19/33/16/807193316.db2.gz ROKYFIGTVFCPGB-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001257520224 807193317 /nfs/dbraw/zinc/19/33/17/807193317.db2.gz ROKYFIGTVFCPGB-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001257520224 807193321 /nfs/dbraw/zinc/19/33/21/807193321.db2.gz ROKYFIGTVFCPGB-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001167827498 807256187 /nfs/dbraw/zinc/25/61/87/807256187.db2.gz XAONWYKEDRZYKW-MSOLQXFVSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001167827498 807256191 /nfs/dbraw/zinc/25/61/91/807256191.db2.gz XAONWYKEDRZYKW-MSOLQXFVSA-N 2 1 295.515 3.057 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccncc32)CC1 ZINC001258008646 807264799 /nfs/dbraw/zinc/26/47/99/807264799.db2.gz BFTKOAJNIJONDQ-SFHVURJKSA-N 2 1 287.451 3.169 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCc3ccsc3C2)CC1 ZINC001258015172 807266741 /nfs/dbraw/zinc/26/67/41/807266741.db2.gz YUVUBSHNIXGRFA-UHFFFAOYSA-N 2 1 278.465 3.227 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCc3ccsc3C2)CC1 ZINC001258015172 807266746 /nfs/dbraw/zinc/26/67/46/807266746.db2.gz YUVUBSHNIXGRFA-UHFFFAOYSA-N 2 1 278.465 3.227 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)CCc2ccccc2F)CC1 ZINC001258018545 807266900 /nfs/dbraw/zinc/26/69/00/807266900.db2.gz PJXRABFYVDYWNG-UHFFFAOYSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168092170 807308769 /nfs/dbraw/zinc/30/87/69/807308769.db2.gz FKWBOLKMLFZKMS-VGWMRTNUSA-N 2 1 282.472 3.172 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168093529 807309380 /nfs/dbraw/zinc/30/93/80/807309380.db2.gz NGMVJNFIZWVUCQ-JOCBIADPSA-N 2 1 294.483 3.459 20 0 CGADMP CC(C)C[N@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141063 807320248 /nfs/dbraw/zinc/32/02/48/807320248.db2.gz SIZWOIQDWCVOAH-UHFFFAOYSA-N 2 1 274.452 3.281 20 0 CGADMP CC(C)C[N@@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141063 807320256 /nfs/dbraw/zinc/32/02/56/807320256.db2.gz SIZWOIQDWCVOAH-UHFFFAOYSA-N 2 1 274.452 3.281 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(Cl)cc1 ZINC001168151993 807327923 /nfs/dbraw/zinc/32/79/23/807327923.db2.gz CLCIWLVRVIFUKT-CYBMUJFWSA-N 2 1 268.832 3.332 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258173288 807340819 /nfs/dbraw/zinc/34/08/19/807340819.db2.gz ZDHBLUJXRCXUFR-XHSDSOJGSA-N 2 1 278.440 3.168 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001168188713 807341216 /nfs/dbraw/zinc/34/12/16/807341216.db2.gz MXIMLUWQZFKVRD-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001168188713 807341223 /nfs/dbraw/zinc/34/12/23/807341223.db2.gz MXIMLUWQZFKVRD-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001168188713 807341229 /nfs/dbraw/zinc/34/12/29/807341229.db2.gz MXIMLUWQZFKVRD-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccco1)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258181292 807344104 /nfs/dbraw/zinc/34/41/04/807344104.db2.gz AJGBKLZACICAOP-FVQBIDKESA-N 2 1 276.424 3.193 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001168324653 807383767 /nfs/dbraw/zinc/38/37/67/807383767.db2.gz SSKVOVJXVJGMCG-UHFFFAOYSA-N 2 1 262.372 3.014 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001168328160 807384526 /nfs/dbraw/zinc/38/45/26/807384526.db2.gz XZJSRGRYDFPCEM-FAEJEUNOSA-N 2 1 290.426 3.488 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)CC(C)(C)SC)CC1 ZINC001258350062 807423786 /nfs/dbraw/zinc/42/37/86/807423786.db2.gz VMBUVLCEGSQMSQ-CYBMUJFWSA-N 2 1 272.502 3.323 20 0 CGADMP CCCCC[C@H](CC)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001258443433 807452878 /nfs/dbraw/zinc/45/28/78/807452878.db2.gz MIXKIIHFDQFGDC-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](CC1CC1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001258467953 807467255 /nfs/dbraw/zinc/46/72/55/807467255.db2.gz PZVYPWVTLVJNOZ-LZQZEXGQSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@H](CC1CC1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258467953 807467259 /nfs/dbraw/zinc/46/72/59/807467259.db2.gz PZVYPWVTLVJNOZ-LZQZEXGQSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@H](CC1CC1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258467953 807467264 /nfs/dbraw/zinc/46/72/64/807467264.db2.gz PZVYPWVTLVJNOZ-LZQZEXGQSA-N 2 1 284.447 3.239 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258663596 807532275 /nfs/dbraw/zinc/53/22/75/807532275.db2.gz VEQZWUOOCMRZGD-KRWDZBQOSA-N 2 1 283.419 3.153 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258663596 807532277 /nfs/dbraw/zinc/53/22/77/807532277.db2.gz VEQZWUOOCMRZGD-KRWDZBQOSA-N 2 1 283.419 3.153 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095975 807573384 /nfs/dbraw/zinc/57/33/84/807573384.db2.gz TVXZAXGVTCQAOF-QSPRXWTASA-N 2 1 258.409 3.271 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)C2 ZINC001169094021 807574109 /nfs/dbraw/zinc/57/41/09/807574109.db2.gz KCEWSEBBVOGBFT-QDMKHBRRSA-N 2 1 280.362 3.339 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169096860 807574296 /nfs/dbraw/zinc/57/42/96/807574296.db2.gz ZDDCVZLRUBCSMS-QKDCVEJESA-N 2 1 276.449 3.123 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cc(F)cc3F)C2 ZINC001169099716 807575742 /nfs/dbraw/zinc/57/57/42/807575742.db2.gz FCVDQDAWJMCTNR-KOFHJDLBSA-N 2 1 292.373 3.167 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cc(F)cc3F)C2 ZINC001169099716 807575747 /nfs/dbraw/zinc/57/57/47/807575747.db2.gz FCVDQDAWJMCTNR-KOFHJDLBSA-N 2 1 292.373 3.167 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)C2 ZINC001169109117 807578584 /nfs/dbraw/zinc/57/85/84/807578584.db2.gz YPYSSXJMMOCYCN-XMTFNYHQSA-N 2 1 288.410 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(C)(C)CC1)C2 ZINC001169108647 807579041 /nfs/dbraw/zinc/57/90/41/807579041.db2.gz UNHIAEMNWPCAGG-QDMKHBRRSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ncccc1[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169118036 807582855 /nfs/dbraw/zinc/58/28/55/807582855.db2.gz CEXZWWOEVBQRMP-XLMAVXFVSA-N 2 1 285.435 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCC(C)(C)C1)C2 ZINC001169119828 807582950 /nfs/dbraw/zinc/58/29/50/807582950.db2.gz WXEPSZMEVSGNLE-ZQDZILKHSA-N 2 1 250.430 3.028 20 0 CGADMP CCCC[C@H](CCC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258761422 807598619 /nfs/dbraw/zinc/59/86/19/807598619.db2.gz KTIBXCITQDSOPA-HNNXBMFYSA-N 2 1 295.471 3.475 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258767948 807603038 /nfs/dbraw/zinc/60/30/38/807603038.db2.gz ZACZVYZMHAELND-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001258772116 807604983 /nfs/dbraw/zinc/60/49/83/807604983.db2.gz JELOVOIGVPZVCN-CYBMUJFWSA-N 2 1 296.352 3.085 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001258772116 807604987 /nfs/dbraw/zinc/60/49/87/807604987.db2.gz JELOVOIGVPZVCN-CYBMUJFWSA-N 2 1 296.352 3.085 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2cccc(OC)c2)CC1 ZINC001169242123 807612478 /nfs/dbraw/zinc/61/24/78/807612478.db2.gz WSEIVBFURBFSRQ-UHFFFAOYSA-N 2 1 290.451 3.090 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001169258539 807616783 /nfs/dbraw/zinc/61/67/83/807616783.db2.gz LSWIVJOCSYONES-KRWDZBQOSA-N 2 1 276.399 3.447 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001169258539 807616787 /nfs/dbraw/zinc/61/67/87/807616787.db2.gz LSWIVJOCSYONES-KRWDZBQOSA-N 2 1 276.399 3.447 20 0 CGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001258825439 807639558 /nfs/dbraw/zinc/63/95/58/807639558.db2.gz CSKUGEMPKBDDNL-MAUKXSAKSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)CC(CC(C)C)n1cc[nH+]c1CCC[NH3+] ZINC001258834063 807648641 /nfs/dbraw/zinc/64/86/41/807648641.db2.gz ULJMQQMPTYOEMJ-UHFFFAOYSA-N 2 1 251.418 3.408 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](C(CC(C)C)CC(C)C)C[C@@H]2C1 ZINC001258837555 807651198 /nfs/dbraw/zinc/65/11/98/807651198.db2.gz WJLYBJJYKLRZFQ-IYBDPMFKSA-N 2 1 266.473 3.331 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](C(CC(C)C)CC(C)C)C[C@@H]2C1 ZINC001258837555 807651202 /nfs/dbraw/zinc/65/12/02/807651202.db2.gz WJLYBJJYKLRZFQ-IYBDPMFKSA-N 2 1 266.473 3.331 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258844244 807655290 /nfs/dbraw/zinc/65/52/90/807655290.db2.gz PCVBJSHXJSIONT-VQTJNVASSA-N 2 1 294.442 3.393 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258844244 807655293 /nfs/dbraw/zinc/65/52/93/807655293.db2.gz PCVBJSHXJSIONT-VQTJNVASSA-N 2 1 294.442 3.393 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC001258879925 807661946 /nfs/dbraw/zinc/66/19/46/807661946.db2.gz LTOXDRARTYOTSW-INIZCTEOSA-N 2 1 292.467 3.338 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC001258879925 807661947 /nfs/dbraw/zinc/66/19/47/807661947.db2.gz LTOXDRARTYOTSW-INIZCTEOSA-N 2 1 292.467 3.338 20 0 CGADMP Cc1[nH+]c2ccc(NCC[C@H]3CCC[NH2+]3)cc2n1C(C)C ZINC001169568562 807668242 /nfs/dbraw/zinc/66/82/42/807668242.db2.gz ZQGMQWDEEMWCRM-CQSZACIVSA-N 2 1 286.423 3.480 20 0 CGADMP Cc1c[nH+]c(Nc2cccc(OCC[NH+](C)C)c2)c(C)c1 ZINC001212805269 815142701 /nfs/dbraw/zinc/14/27/01/815142701.db2.gz VOZHGDYAVDNKIF-UHFFFAOYSA-N 2 1 285.391 3.382 20 0 CGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 ZINC001170115954 807762503 /nfs/dbraw/zinc/76/25/03/807762503.db2.gz BWJJSHRXNJEFJP-HUUCEWRRSA-N 2 1 288.435 3.134 20 0 CGADMP CC(C)C[N@@H+]([C@H]1CC[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170125014 807768741 /nfs/dbraw/zinc/76/87/41/807768741.db2.gz ZOIXVWFLMNEBOZ-VGWMRTNUSA-N 2 1 252.446 3.403 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 ZINC001170137326 807773032 /nfs/dbraw/zinc/77/30/32/807773032.db2.gz OALKEVLCFBMZBC-DZGCQCFKSA-N 2 1 273.424 3.117 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C1 ZINC001170141103 807773743 /nfs/dbraw/zinc/77/37/43/807773743.db2.gz YJEOMLYOCUFXPZ-BZUAXINKSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1ccc[nH+]c1N([C@@H]1CC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001170162388 807783063 /nfs/dbraw/zinc/78/30/63/807783063.db2.gz SVCCEIYOUZMEBB-CZUORRHYSA-N 2 1 273.424 3.137 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cs1 ZINC001262378794 807863205 /nfs/dbraw/zinc/86/32/05/807863205.db2.gz LQAWNBWXXRHVEH-JYJNAYRXSA-N 2 1 278.465 3.219 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001170598009 807864001 /nfs/dbraw/zinc/86/40/01/807864001.db2.gz GGSZMBZGZYOIGY-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001170598009 807864009 /nfs/dbraw/zinc/86/40/09/807864009.db2.gz GGSZMBZGZYOIGY-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCCC[C@@H](CC)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001170598009 807864019 /nfs/dbraw/zinc/86/40/19/807864019.db2.gz GGSZMBZGZYOIGY-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCCC[C@@H](CC)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001170598009 807864025 /nfs/dbraw/zinc/86/40/25/807864025.db2.gz GGSZMBZGZYOIGY-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171098084 807982763 /nfs/dbraw/zinc/98/27/63/807982763.db2.gz BPWOWELNZAPZDI-IRXDYDNUSA-N 2 1 292.854 3.271 20 0 CGADMP Cc1[nH+]ccc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1F ZINC001171099309 807984262 /nfs/dbraw/zinc/98/42/62/807984262.db2.gz MJQKMWQCDRKEJA-LBPRGKRZSA-N 2 1 295.361 3.289 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171344898 808032995 /nfs/dbraw/zinc/03/29/95/808032995.db2.gz GCYHROVVAKSEFW-NRXISQOPSA-N 2 1 294.389 3.024 20 0 CGADMP CO[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171644810 808110621 /nfs/dbraw/zinc/11/06/21/808110621.db2.gz PDKRYZRMOWCGCN-DZGCQCFKSA-N 2 1 282.472 3.137 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]2CF)CC1(C)C ZINC001171644902 808111616 /nfs/dbraw/zinc/11/16/16/808111616.db2.gz UDDHNWNXKKSCDB-GFCCVEGCSA-N 2 1 256.409 3.072 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCc3ncsc3C2)CC1(C)C ZINC001171639540 808111687 /nfs/dbraw/zinc/11/16/87/808111687.db2.gz OFIBWOIIURXSOV-UHFFFAOYSA-N 2 1 293.480 3.153 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3ncsc3C2)CC1(C)C ZINC001171639540 808111690 /nfs/dbraw/zinc/11/16/90/808111690.db2.gz OFIBWOIIURXSOV-UHFFFAOYSA-N 2 1 293.480 3.153 20 0 CGADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641065 808111740 /nfs/dbraw/zinc/11/17/40/808111740.db2.gz BMKIBVYPRQMOLL-MZBDJJRSSA-N 2 1 294.483 3.280 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)[C@H](C)C1 ZINC001171790531 808140210 /nfs/dbraw/zinc/14/02/10/808140210.db2.gz NIXJVABISOXHLC-XUWXXGDYSA-N 2 1 290.426 3.001 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171964204 808161132 /nfs/dbraw/zinc/16/11/32/808161132.db2.gz KZACYXJSBMZJGP-INIZCTEOSA-N 2 1 258.409 3.182 20 0 CGADMP COCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965811 808161356 /nfs/dbraw/zinc/16/13/56/808161356.db2.gz RRLPJKHMZFPLEI-KRWDZBQOSA-N 2 1 290.451 3.056 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100213 808171897 /nfs/dbraw/zinc/17/18/97/808171897.db2.gz BFEKWCBUDYLYCR-NNZMDNLPSA-N 2 1 272.436 3.354 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103169 808174693 /nfs/dbraw/zinc/17/46/93/808174693.db2.gz TZCPVBOHCWKABH-LVQVYYBASA-N 2 1 288.435 3.361 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103169 808174698 /nfs/dbraw/zinc/17/46/98/808174698.db2.gz TZCPVBOHCWKABH-LVQVYYBASA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001172102871 808174792 /nfs/dbraw/zinc/17/47/92/808174792.db2.gz PVWFVJSIJFZWCP-YVSFHVDLSA-N 2 1 287.451 3.446 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172107023 808175959 /nfs/dbraw/zinc/17/59/59/808175959.db2.gz SINUXNKMGOWLML-NXOAAHMSSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172107023 808175964 /nfs/dbraw/zinc/17/59/64/808175964.db2.gz SINUXNKMGOWLML-NXOAAHMSSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001172106467 808177127 /nfs/dbraw/zinc/17/71/27/808177127.db2.gz PAYMZQFXAWRSMI-QKPAOTATSA-N 2 1 273.424 3.138 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccc(F)cc1)C2 ZINC001172111253 808177643 /nfs/dbraw/zinc/17/76/43/808177643.db2.gz QWLFLNALSVFVFD-CWQOZTLDSA-N 2 1 288.410 3.287 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccc(F)cc1)C2 ZINC001172111253 808177645 /nfs/dbraw/zinc/17/76/45/808177645.db2.gz QWLFLNALSVFVFD-CWQOZTLDSA-N 2 1 288.410 3.287 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1Cc3ccccc3C1)C2 ZINC001172115175 808181234 /nfs/dbraw/zinc/18/12/34/808181234.db2.gz RMXHCHIZOBDMNH-LDLYASANSA-N 2 1 284.447 3.006 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120221 808182651 /nfs/dbraw/zinc/18/26/51/808182651.db2.gz AWAAHRFUPRMHIQ-MUJYYYPQSA-N 2 1 294.389 3.412 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120221 808182655 /nfs/dbraw/zinc/18/26/55/808182655.db2.gz AWAAHRFUPRMHIQ-MUJYYYPQSA-N 2 1 294.389 3.412 20 0 CGADMP C[NH+](Cc1ccc(F)cc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120221 808182660 /nfs/dbraw/zinc/18/26/60/808182660.db2.gz AWAAHRFUPRMHIQ-MUJYYYPQSA-N 2 1 294.389 3.412 20 0 CGADMP C[NH+](Cc1ccc(F)cc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120221 808182663 /nfs/dbraw/zinc/18/26/63/808182663.db2.gz AWAAHRFUPRMHIQ-MUJYYYPQSA-N 2 1 294.389 3.412 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCCC[C@H]3C1)C2 ZINC001172122053 808182811 /nfs/dbraw/zinc/18/28/11/808182811.db2.gz WCDCUDRLFZYFPO-SMLCLMEVSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3ccsc3C1)C2 ZINC001172125945 808186777 /nfs/dbraw/zinc/18/67/77/808186777.db2.gz SEDNQAWCAQFUTJ-QDMKHBRRSA-N 2 1 276.449 3.122 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3ccsc3C1)C2 ZINC001172125945 808186779 /nfs/dbraw/zinc/18/67/79/808186779.db2.gz SEDNQAWCAQFUTJ-QDMKHBRRSA-N 2 1 276.449 3.122 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3ccsc3C1)C2 ZINC001172125945 808186782 /nfs/dbraw/zinc/18/67/82/808186782.db2.gz SEDNQAWCAQFUTJ-QDMKHBRRSA-N 2 1 276.449 3.122 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172324520 808233874 /nfs/dbraw/zinc/23/38/74/808233874.db2.gz HHUAQZLQRDMDKQ-FZKCQIBNSA-N 2 1 270.461 3.043 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001172363539 808258143 /nfs/dbraw/zinc/25/81/43/808258143.db2.gz KVEACMOBCXWVTB-RGGMIXCSSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172363539 808258147 /nfs/dbraw/zinc/25/81/47/808258147.db2.gz KVEACMOBCXWVTB-RGGMIXCSSA-N 2 1 264.457 3.416 20 0 CGADMP CCOCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172417984 808300718 /nfs/dbraw/zinc/30/07/18/808300718.db2.gz YMVLEMQVYZZFTL-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CCOCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172417984 808300723 /nfs/dbraw/zinc/30/07/23/808300723.db2.gz YMVLEMQVYZZFTL-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172425260 808304407 /nfs/dbraw/zinc/30/44/07/808304407.db2.gz UQQNQFGUOHLUKL-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP CC(C)OCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172432449 808310755 /nfs/dbraw/zinc/31/07/55/808310755.db2.gz AZZRFPCGQSPVIQ-HZPDHXFCSA-N 2 1 270.461 3.044 20 0 CGADMP CC(C)OCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172439487 808314723 /nfs/dbraw/zinc/31/47/23/808314723.db2.gz FAXMQQVAABFFGX-DLBZAZTESA-N 2 1 292.467 3.287 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537870 808371343 /nfs/dbraw/zinc/37/13/43/808371343.db2.gz WWRCZNQEESYMMS-USXIJHARSA-N 2 1 260.425 3.239 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172551051 808378902 /nfs/dbraw/zinc/37/89/02/808378902.db2.gz DMVGPKBCKKAPKL-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172551051 808378911 /nfs/dbraw/zinc/37/89/11/808378911.db2.gz DMVGPKBCKKAPKL-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172551051 808378919 /nfs/dbraw/zinc/37/89/19/808378919.db2.gz DMVGPKBCKKAPKL-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172724515 808420781 /nfs/dbraw/zinc/42/07/81/808420781.db2.gz NNMPUGQYXUFZKX-KRWDZBQOSA-N 2 1 294.870 3.471 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)[C@](C)(O)CC2)CC1 ZINC001173108292 808511988 /nfs/dbraw/zinc/51/19/88/808511988.db2.gz ARDKFZUENCIHPS-AQEOSJORSA-N 2 1 296.499 3.122 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC001173112742 808513739 /nfs/dbraw/zinc/51/37/39/808513739.db2.gz AQFBXIXRFZGKIC-OFLPRAFFSA-N 2 1 282.472 3.140 20 0 CGADMP C[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173195136 808533544 /nfs/dbraw/zinc/53/35/44/808533544.db2.gz JFQNHHUKBMXQGF-UHFFFAOYSA-N 2 1 288.435 3.060 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001173242301 808550725 /nfs/dbraw/zinc/55/07/25/808550725.db2.gz BYMNVTOBCWOVRF-ATZDWAIDSA-N 2 1 286.463 3.064 20 0 CGADMP CC[N@H+]1CC[C@H](n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)C1 ZINC001173360610 808629575 /nfs/dbraw/zinc/62/95/75/808629575.db2.gz QHLKBCCZDHQPIT-HOCLYGCPSA-N 2 1 285.435 3.106 20 0 CGADMP CC(C)C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275055678 808902026 /nfs/dbraw/zinc/90/20/26/808902026.db2.gz FMJVRBCMCHHZHD-IYBDPMFKSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275055678 808902029 /nfs/dbraw/zinc/90/20/29/808902029.db2.gz FMJVRBCMCHHZHD-IYBDPMFKSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275055678 808902033 /nfs/dbraw/zinc/90/20/33/808902033.db2.gz FMJVRBCMCHHZHD-IYBDPMFKSA-N 2 1 264.457 3.229 20 0 CGADMP C(C1CCC1)[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275182528 808920259 /nfs/dbraw/zinc/92/02/59/808920259.db2.gz YZHDUVNDNVYGBW-CALCHBBNSA-N 2 1 276.468 3.373 20 0 CGADMP C(C1CCC1)[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275182528 808920266 /nfs/dbraw/zinc/92/02/66/808920266.db2.gz YZHDUVNDNVYGBW-CALCHBBNSA-N 2 1 276.468 3.373 20 0 CGADMP C(C1CCC1)[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275182528 808920270 /nfs/dbraw/zinc/92/02/70/808920270.db2.gz YZHDUVNDNVYGBW-CALCHBBNSA-N 2 1 276.468 3.373 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC001275252112 808923630 /nfs/dbraw/zinc/92/36/30/808923630.db2.gz HEHBMLOSYALUCY-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC001275252112 808923637 /nfs/dbraw/zinc/92/36/37/808923637.db2.gz HEHBMLOSYALUCY-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@H+]1CCC[C@]2(CCCN(Cc3cc4ccoc4cn3)C2)C1 ZINC001275504609 808943058 /nfs/dbraw/zinc/94/30/58/808943058.db2.gz FIUBLQJWXKINAJ-SFHVURJKSA-N 2 1 299.418 3.136 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccnc3ccccc13)C2 ZINC001275890304 808973954 /nfs/dbraw/zinc/97/39/54/808973954.db2.gz AXTXPJJNKILTKZ-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccnc3ccccc13)C2 ZINC001275890304 808973957 /nfs/dbraw/zinc/97/39/57/808973957.db2.gz AXTXPJJNKILTKZ-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC001275890304 808973958 /nfs/dbraw/zinc/97/39/58/808973958.db2.gz AXTXPJJNKILTKZ-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC001275930387 808977901 /nfs/dbraw/zinc/97/79/01/808977901.db2.gz OWHKFNSKGBGKFE-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(F)cc3F)CC2)C1 ZINC001275930387 808977905 /nfs/dbraw/zinc/97/79/05/808977905.db2.gz OWHKFNSKGBGKFE-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(C)c3F)(C1)CCC2 ZINC001276018267 808984747 /nfs/dbraw/zinc/98/47/47/808984747.db2.gz ARGRLMNFVXDMNU-DLBZAZTESA-N 2 1 294.389 3.428 20 0 CGADMP Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)c2c1 ZINC001276053717 808986415 /nfs/dbraw/zinc/98/64/15/808986415.db2.gz BMUPPDXFTPOJCG-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)c2c1 ZINC001276053717 808986420 /nfs/dbraw/zinc/98/64/20/808986420.db2.gz BMUPPDXFTPOJCG-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)c2c1 ZINC001276053717 808986427 /nfs/dbraw/zinc/98/64/27/808986427.db2.gz BMUPPDXFTPOJCG-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1F)CC2 ZINC001276296772 808998850 /nfs/dbraw/zinc/99/88/50/808998850.db2.gz GGCKFWKHQLXSSW-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1F)CC2 ZINC001276296772 808998854 /nfs/dbraw/zinc/99/88/54/808998854.db2.gz GGCKFWKHQLXSSW-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP Cc1cccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1F ZINC001276305035 809001121 /nfs/dbraw/zinc/00/11/21/809001121.db2.gz WPJUKEHDFKHXON-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC(C)=C[C@@H]1C ZINC001276472147 809011521 /nfs/dbraw/zinc/01/15/21/809011521.db2.gz IZQVASHYIXSFKR-ZSNVMCELSA-N 2 1 262.441 3.194 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCc1cccc(F)c1)CC2 ZINC001276746327 809027939 /nfs/dbraw/zinc/02/79/39/809027939.db2.gz CMQQWLTXGHWRNW-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)C1 ZINC001276758747 809029994 /nfs/dbraw/zinc/02/99/94/809029994.db2.gz GYRIEMOOZGLHJU-BBWFWOEESA-N 2 1 274.452 3.006 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)ccc21 ZINC001276839696 809035298 /nfs/dbraw/zinc/03/52/98/809035298.db2.gz CTKYHJGUFXFDFM-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)ccc21 ZINC001276839696 809035303 /nfs/dbraw/zinc/03/53/03/809035303.db2.gz CTKYHJGUFXFDFM-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2cc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC001276839696 809035310 /nfs/dbraw/zinc/03/53/10/809035310.db2.gz CTKYHJGUFXFDFM-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cc1cccc2[nH]cc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)c21 ZINC001276840762 809037801 /nfs/dbraw/zinc/03/78/01/809037801.db2.gz WOFBZRGQFHBJJD-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)c21 ZINC001276840762 809037808 /nfs/dbraw/zinc/03/78/08/809037808.db2.gz WOFBZRGQFHBJJD-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)c21 ZINC001276840762 809037817 /nfs/dbraw/zinc/03/78/17/809037817.db2.gz WOFBZRGQFHBJJD-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP CC(C)OCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277658897 809087753 /nfs/dbraw/zinc/08/77/53/809087753.db2.gz YJVGEIIETBHQOH-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CCc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001176281861 809659277 /nfs/dbraw/zinc/65/92/77/809659277.db2.gz QMFCXYOKHXPISI-MRXNPFEDSA-N 2 1 295.430 3.355 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001177295205 809792107 /nfs/dbraw/zinc/79/21/07/809792107.db2.gz ZHNWIIKGPNPXAG-XMTFNYHQSA-N 2 1 296.499 3.148 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C1CCC(C2CCC2)CC1)C1CC1 ZINC001177337256 809795176 /nfs/dbraw/zinc/79/51/76/809795176.db2.gz BHBFMCDRZAVDQE-BDVYOWHSSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc(CC[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001182873450 810128537 /nfs/dbraw/zinc/12/85/37/810128537.db2.gz KYKBTTOKJMEBLV-QGZVFWFLSA-N 2 1 274.452 3.248 20 0 CGADMP CCc1cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(C)n1 ZINC001184998186 810228529 /nfs/dbraw/zinc/22/85/29/810228529.db2.gz AZUTZDLTAHHEMH-MJBXVCDLSA-N 2 1 290.455 3.126 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3C3CC3)C[C@@]2(C)C1 ZINC001196632049 811356894 /nfs/dbraw/zinc/35/68/94/811356894.db2.gz LNRJQUHYWKAVED-RTBURBONSA-N 2 1 284.447 3.338 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001197031576 811390705 /nfs/dbraw/zinc/39/07/05/811390705.db2.gz MHPHQHUTUQNFGO-MDASCCDHSA-N 2 1 284.447 3.262 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001197031576 811390715 /nfs/dbraw/zinc/39/07/15/811390715.db2.gz MHPHQHUTUQNFGO-MDASCCDHSA-N 2 1 284.447 3.262 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001197031576 811390722 /nfs/dbraw/zinc/39/07/22/811390722.db2.gz MHPHQHUTUQNFGO-MDASCCDHSA-N 2 1 284.447 3.262 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001199842426 811602922 /nfs/dbraw/zinc/60/29/22/811602922.db2.gz JANODDPPSXAUND-CAOSSQGBSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001200863853 811758095 /nfs/dbraw/zinc/75/80/95/811758095.db2.gz MORNVVVPFLFDCB-QZTJIDSGSA-N 2 1 296.499 3.293 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001200863853 811758099 /nfs/dbraw/zinc/75/80/99/811758099.db2.gz MORNVVVPFLFDCB-QZTJIDSGSA-N 2 1 296.499 3.293 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001201544822 811895387 /nfs/dbraw/zinc/89/53/87/811895387.db2.gz SQKOWCLSFGCTRC-AWEZNQCLSA-N 2 1 275.440 3.365 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2ccccc2)CC1 ZINC001201598973 811918416 /nfs/dbraw/zinc/91/84/16/811918416.db2.gz VXNQJXOXQWFLKT-UHFFFAOYSA-N 2 1 295.430 3.172 20 0 CGADMP CC(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626961 811924592 /nfs/dbraw/zinc/92/45/92/811924592.db2.gz QQDFQGSJWZVJJZ-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626961 811924593 /nfs/dbraw/zinc/92/45/93/811924593.db2.gz QQDFQGSJWZVJJZ-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626961 811924594 /nfs/dbraw/zinc/92/45/94/811924594.db2.gz QQDFQGSJWZVJJZ-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCC(C)(C)C)CC1 ZINC001202078122 812012129 /nfs/dbraw/zinc/01/21/29/812012129.db2.gz QESCAOGPNZKGSR-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001203751814 812452715 /nfs/dbraw/zinc/45/27/15/812452715.db2.gz NFEXPQIKDWCJAJ-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001203751814 812452719 /nfs/dbraw/zinc/45/27/19/812452719.db2.gz NFEXPQIKDWCJAJ-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3C)C[C@@H]2C1 ZINC001203751776 812452837 /nfs/dbraw/zinc/45/28/37/812452837.db2.gz MWBKCEFTQHODFK-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP C[NH+]1CCC2(C[NH+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001203886965 812481063 /nfs/dbraw/zinc/48/10/63/812481063.db2.gz PGBQPBLDMVKDAT-UHFFFAOYSA-N 2 1 298.352 3.233 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989227 812510861 /nfs/dbraw/zinc/51/08/61/812510861.db2.gz ZUQXGLDCIWBTOP-PKOBYXMFSA-N 2 1 280.415 3.366 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ccccc12 ZINC001204043037 812529727 /nfs/dbraw/zinc/52/97/27/812529727.db2.gz KHEPEMDOTKMRAD-UHFFFAOYSA-N 2 1 271.408 3.086 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ccccc12 ZINC001204043037 812529731 /nfs/dbraw/zinc/52/97/31/812529731.db2.gz KHEPEMDOTKMRAD-UHFFFAOYSA-N 2 1 271.408 3.086 20 0 CGADMP CCc1ccc(CN2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001204178060 812568469 /nfs/dbraw/zinc/56/84/69/812568469.db2.gz IRCWOSXWMPJSHP-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCC23CC3)cc1 ZINC001204265432 812592343 /nfs/dbraw/zinc/59/23/43/812592343.db2.gz HLHYCMRAMGYRAA-UHFFFAOYSA-N 2 1 288.435 3.146 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c1)CCC2 ZINC001204748155 812725645 /nfs/dbraw/zinc/72/56/45/812725645.db2.gz GNSNTCODQKBTLS-UHFFFAOYSA-N 2 1 284.447 3.141 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001204848822 812753788 /nfs/dbraw/zinc/75/37/88/812753788.db2.gz UVQOQYNOSGXVLC-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001204848822 812753796 /nfs/dbraw/zinc/75/37/96/812753796.db2.gz UVQOQYNOSGXVLC-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001204853907 812755016 /nfs/dbraw/zinc/75/50/16/812755016.db2.gz AOAYIPVUHMGKNE-UHFFFAOYSA-N 2 1 266.816 3.217 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)cc1 ZINC001204918326 812774755 /nfs/dbraw/zinc/77/47/55/812774755.db2.gz BZTUOJKHBNVWBU-AXUOBQJMSA-N 2 1 286.463 3.125 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001204938200 812786863 /nfs/dbraw/zinc/78/68/63/812786863.db2.gz KLIXDRNDCCMJMJ-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001204938200 812786868 /nfs/dbraw/zinc/78/68/68/812786868.db2.gz KLIXDRNDCCMJMJ-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC001205093870 812858584 /nfs/dbraw/zinc/85/85/84/812858584.db2.gz GYEXTPNGNLALCI-LLVKDONJSA-N 2 1 287.234 3.349 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC001205093870 812858594 /nfs/dbraw/zinc/85/85/94/812858594.db2.gz GYEXTPNGNLALCI-LLVKDONJSA-N 2 1 287.234 3.349 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC001205093871 812859565 /nfs/dbraw/zinc/85/95/65/812859565.db2.gz GYEXTPNGNLALCI-NSHDSACASA-N 2 1 287.234 3.349 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC001205093871 812859574 /nfs/dbraw/zinc/85/95/74/812859574.db2.gz GYEXTPNGNLALCI-NSHDSACASA-N 2 1 287.234 3.349 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001205094881 812860158 /nfs/dbraw/zinc/86/01/58/812860158.db2.gz RIGPVUPMEOYGGD-GFCCVEGCSA-N 2 1 277.799 3.135 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001205094821 812861287 /nfs/dbraw/zinc/86/12/87/812861287.db2.gz QLQYFOQAXCVSJY-NSHDSACASA-N 2 1 290.304 3.158 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001205094821 812861296 /nfs/dbraw/zinc/86/12/96/812861296.db2.gz QLQYFOQAXCVSJY-NSHDSACASA-N 2 1 290.304 3.158 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001205102121 812867244 /nfs/dbraw/zinc/86/72/44/812867244.db2.gz OUPWBLVRZRKYET-ZDUSSCGKSA-N 2 1 277.799 3.135 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205102162 812867963 /nfs/dbraw/zinc/86/79/63/812867963.db2.gz PIFWSQUKIHMZIJ-MRXNPFEDSA-N 2 1 276.424 3.179 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC001205150569 812887597 /nfs/dbraw/zinc/88/75/97/812887597.db2.gz FTHGQLJQPUSHTH-OXJNMPFZSA-N 2 1 294.442 3.304 20 0 CGADMP C[C@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)Cc2ccccc21 ZINC001205164299 812893104 /nfs/dbraw/zinc/89/31/04/812893104.db2.gz CDUWBQGHOIAWHW-HNNXBMFYSA-N 2 1 284.447 3.386 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c[nH]c21 ZINC001205263966 812922207 /nfs/dbraw/zinc/92/22/07/812922207.db2.gz GMZYFVWESJLYKN-QGZVFWFLSA-N 2 1 271.408 3.180 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205297098 812938460 /nfs/dbraw/zinc/93/84/60/812938460.db2.gz YUWWGYCDKMFEGW-KRWDZBQOSA-N 2 1 276.424 3.097 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1C ZINC001205305013 812943914 /nfs/dbraw/zinc/94/39/14/812943914.db2.gz QMWBQQJKSDFAQB-WBMJQRKESA-N 2 1 290.451 3.037 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205560027 813003713 /nfs/dbraw/zinc/00/37/13/813003713.db2.gz YIABRQOKEVGYAV-KRWDZBQOSA-N 2 1 294.414 3.127 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001205591323 813014877 /nfs/dbraw/zinc/01/48/77/813014877.db2.gz KKTARIRNEOQSBA-QGZVFWFLSA-N 2 1 294.389 3.356 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205590980 813015429 /nfs/dbraw/zinc/01/54/29/813015429.db2.gz ACGVPRYUJMLIHG-KRWDZBQOSA-N 2 1 278.415 3.463 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)CC[C@H]1C[NH3+] ZINC001205605170 813021196 /nfs/dbraw/zinc/02/11/96/813021196.db2.gz ZNRNHFOLDAQONC-OCCSQVGLSA-N 2 1 274.399 3.119 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)o1 ZINC001205604748 813021825 /nfs/dbraw/zinc/02/18/25/813021825.db2.gz WQPIGAVKNQFZQO-FMKPAKJESA-N 2 1 278.440 3.388 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(C)s1 ZINC001205615779 813026084 /nfs/dbraw/zinc/02/60/84/813026084.db2.gz AZBOWZBHEJLPSN-FZMZJTMJSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(F)cc23)CC[C@H]1C[NH3+] ZINC001205616068 813026673 /nfs/dbraw/zinc/02/66/73/813026673.db2.gz CUWYEDSGDCEECO-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c21 ZINC001205618578 813028171 /nfs/dbraw/zinc/02/81/71/813028171.db2.gz XHZNIZBERUQSJV-DZGCQCFKSA-N 2 1 285.435 3.283 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618027 813028493 /nfs/dbraw/zinc/02/84/93/813028493.db2.gz QTMRSDLCSJVUHN-HIFRSBDPSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2csc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205626760 813032644 /nfs/dbraw/zinc/03/26/44/813032644.db2.gz IXPVXXXAIIZGDQ-ZYHUDNBSSA-N 2 1 272.845 3.208 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205780508 813075292 /nfs/dbraw/zinc/07/52/92/813075292.db2.gz QLNGWPXQROTONW-MRXNPFEDSA-N 2 1 296.405 3.445 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205780508 813075298 /nfs/dbraw/zinc/07/52/98/813075298.db2.gz QLNGWPXQROTONW-MRXNPFEDSA-N 2 1 296.405 3.445 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205814181 813092256 /nfs/dbraw/zinc/09/22/56/813092256.db2.gz BKTMDPMHLRRSGR-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205814181 813092264 /nfs/dbraw/zinc/09/22/64/813092264.db2.gz BKTMDPMHLRRSGR-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205863272 813112100 /nfs/dbraw/zinc/11/21/00/813112100.db2.gz NWYJMHFLWAGROW-OAGGEKHMSA-N 2 1 252.446 3.428 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1ccccc1Cl ZINC001205901270 813122276 /nfs/dbraw/zinc/12/22/76/813122276.db2.gz CDXQPYBGTDVVRK-DZGCQCFKSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC001205901615 813123491 /nfs/dbraw/zinc/12/34/91/813123491.db2.gz DROJKBBJZBKPRD-AAEUAGOBSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cccc(Cl)c12 ZINC001205903051 813124727 /nfs/dbraw/zinc/12/47/27/813124727.db2.gz NFEANQQIIDYVJG-VXGBXAGGSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1csc2ccccc12 ZINC001205901972 813125132 /nfs/dbraw/zinc/12/51/32/813125132.db2.gz GNFQWYOUSRNUEY-STQMWFEESA-N 2 1 274.433 3.461 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205903044 813125320 /nfs/dbraw/zinc/12/53/20/813125320.db2.gz NERWUYBWYQRZID-KBPBESRZSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1C1CC1 ZINC001205903886 813126651 /nfs/dbraw/zinc/12/66/51/813126651.db2.gz RVSLSXMBIOQBHP-DZGCQCFKSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC001205913250 813129238 /nfs/dbraw/zinc/12/92/38/813129238.db2.gz IAZYATFZOQBCBH-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC001205913253 813129482 /nfs/dbraw/zinc/12/94/82/813129482.db2.gz IAZYATFZOQBCBH-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1-n1cccc1 ZINC001205913049 813129868 /nfs/dbraw/zinc/12/98/68/813129868.db2.gz GKYNJHLJRMTGET-HZPDHXFCSA-N 2 1 283.419 3.037 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923904 813136143 /nfs/dbraw/zinc/13/61/43/813136143.db2.gz PWWQPNLVFVJKRY-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923904 813136145 /nfs/dbraw/zinc/13/61/45/813136145.db2.gz PWWQPNLVFVJKRY-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@H]1C[N@@H+](CC2(C)CCCCC2)CCC[C@@H]1C[NH3+] ZINC001205981707 813151633 /nfs/dbraw/zinc/15/16/33/813151633.db2.gz FTYKLOFHIGVREL-LSDHHAIUSA-N 2 1 252.446 3.264 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC001205981021 813151884 /nfs/dbraw/zinc/15/18/84/813151884.db2.gz BBCZAFBEZWYMJO-IRXDYDNUSA-N 2 1 274.452 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](CCc2ccc(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205985652 813152467 /nfs/dbraw/zinc/15/24/67/813152467.db2.gz ZDTYXROZOSQFQD-TZMCWYRMSA-N 2 1 298.833 3.328 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(C)c1C ZINC001205984621 813152497 /nfs/dbraw/zinc/15/24/97/813152497.db2.gz SOCZEGQWWOKAJT-CZUORRHYSA-N 2 1 290.451 3.119 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001205995942 813157310 /nfs/dbraw/zinc/15/73/10/813157310.db2.gz SEXDVUFIQYCJPN-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206004052 813161094 /nfs/dbraw/zinc/16/10/94/813161094.db2.gz PHWSDKCPHNLOSO-RDJZCZTQSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ccncc32)CCC[C@H]1C[NH3+] ZINC001206002779 813161669 /nfs/dbraw/zinc/16/16/69/813161669.db2.gz AUJQWILKJQABHD-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206004956 813162914 /nfs/dbraw/zinc/16/29/14/813162914.db2.gz VUJADZJBUNAVLQ-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC001206013047 813165463 /nfs/dbraw/zinc/16/54/63/813165463.db2.gz OYVJLHPASSDEMM-IAGOWNOFSA-N 2 1 274.452 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)o2)CCC[C@H]1C[NH3+] ZINC001206015045 813166178 /nfs/dbraw/zinc/16/61/78/813166178.db2.gz ZSBPMHFEKMVYHG-MNOVXSKESA-N 2 1 290.329 3.105 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c3cc[nH]c32)CCC[C@H]1C[NH3+] ZINC001206036510 813175940 /nfs/dbraw/zinc/17/59/40/813175940.db2.gz KMPAYUAHLKDGNV-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC001206109546 813201425 /nfs/dbraw/zinc/20/14/25/813201425.db2.gz BIZLAXSGRMSNSX-ZIAGYGMSSA-N 2 1 258.409 3.158 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@@H]1C ZINC001206110504 813202850 /nfs/dbraw/zinc/20/28/50/813202850.db2.gz ZWWWGDKHTIMONB-CABCVRRESA-N 2 1 264.457 3.134 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C ZINC001206110456 813203373 /nfs/dbraw/zinc/20/33/73/813203373.db2.gz XYPGKEJIDAOFNU-CHWSQXEVSA-N 2 1 278.465 3.262 20 0 CGADMP N[C@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)CC[C@@H]1F ZINC001206152639 813215033 /nfs/dbraw/zinc/21/50/33/813215033.db2.gz ADHFVNJTVIXNNO-IRXDYDNUSA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CC2(c3ccccc3)CCCC2)CC[C@@H]1F ZINC001206152639 813215039 /nfs/dbraw/zinc/21/50/39/813215039.db2.gz ADHFVNJTVIXNNO-IRXDYDNUSA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)CC[C@@H]1F ZINC001206152639 813215043 /nfs/dbraw/zinc/21/50/43/813215043.db2.gz ADHFVNJTVIXNNO-IRXDYDNUSA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1F ZINC001206164540 813221455 /nfs/dbraw/zinc/22/14/55/813221455.db2.gz KILWJRRALYONTJ-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1F ZINC001206164540 813221459 /nfs/dbraw/zinc/22/14/59/813221459.db2.gz KILWJRRALYONTJ-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cccc(Cl)c23)CC[C@@H]1F ZINC001206173118 813225540 /nfs/dbraw/zinc/22/55/40/813225540.db2.gz FBWWVXZTBXKCCT-STQMWFEESA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC[C@@H]1F ZINC001206173118 813225544 /nfs/dbraw/zinc/22/55/44/813225544.db2.gz FBWWVXZTBXKCCT-STQMWFEESA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccn3)cc2)CC[C@@H]1F ZINC001206176364 813227492 /nfs/dbraw/zinc/22/74/92/813227492.db2.gz ZJOITFHVVQBPGB-DLBZAZTESA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC[C@@H]1F ZINC001206176364 813227496 /nfs/dbraw/zinc/22/74/96/813227496.db2.gz ZJOITFHVVQBPGB-DLBZAZTESA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC[C@H]1F ZINC001206184970 813230518 /nfs/dbraw/zinc/23/05/18/813230518.db2.gz KEYDRYXQOQGESO-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC[C@H]1F ZINC001206184970 813230523 /nfs/dbraw/zinc/23/05/23/813230523.db2.gz KEYDRYXQOQGESO-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC[C@@H]1F ZINC001206184967 813230715 /nfs/dbraw/zinc/23/07/15/813230715.db2.gz KEYDRYXQOQGESO-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC[C@@H]1F ZINC001206184967 813230716 /nfs/dbraw/zinc/23/07/16/813230716.db2.gz KEYDRYXQOQGESO-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206183770 813231011 /nfs/dbraw/zinc/23/10/11/813231011.db2.gz HDCAHQDZIIOFSE-HUUCEWRRSA-N 2 1 292.423 3.471 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206183770 813231016 /nfs/dbraw/zinc/23/10/16/813231016.db2.gz HDCAHQDZIIOFSE-HUUCEWRRSA-N 2 1 292.423 3.471 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)c1Cl ZINC001206209069 813241756 /nfs/dbraw/zinc/24/17/56/813241756.db2.gz ASOUOGXJDWPBGJ-KGLIPLIRSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)c1Cl ZINC001206209069 813241761 /nfs/dbraw/zinc/24/17/61/813241761.db2.gz ASOUOGXJDWPBGJ-KGLIPLIRSA-N 2 1 284.806 3.218 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@](C)(C[NH3+])CC1)c1ccccc1 ZINC001206293438 813275049 /nfs/dbraw/zinc/27/50/49/813275049.db2.gz HPSSGDRSZNZOKG-RDJZCZTQSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)c1F ZINC001206304452 813279766 /nfs/dbraw/zinc/27/97/66/813279766.db2.gz KWOWGEDXFNEVSU-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC001206305446 813283358 /nfs/dbraw/zinc/28/33/58/813283358.db2.gz ZNTVBBTWIOVYQB-OAHLLOKOSA-N 2 1 286.341 3.055 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206327448 813290625 /nfs/dbraw/zinc/29/06/25/813290625.db2.gz WQMNEFHIONXFKT-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001206370867 813305170 /nfs/dbraw/zinc/30/51/70/813305170.db2.gz PJRBLTARKLPBQE-SFHVURJKSA-N 2 1 286.394 3.444 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206370867 813305174 /nfs/dbraw/zinc/30/51/74/813305174.db2.gz PJRBLTARKLPBQE-SFHVURJKSA-N 2 1 286.394 3.444 20 0 CGADMP C[C@@]1(F)CCCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC001206405170 813314858 /nfs/dbraw/zinc/31/48/58/813314858.db2.gz OXISPQKJSKSQHT-OAHLLOKOSA-N 2 1 282.428 3.108 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2ccc(Cl)c(F)c2F)CC1 ZINC001206506838 813338991 /nfs/dbraw/zinc/33/89/91/813338991.db2.gz SFIVMFHEPHSOHR-UHFFFAOYSA-N 2 1 288.769 3.179 20 0 CGADMP Nc1cc(Nc2cc[nH+]c(-c3ccccc3)c2)cc[nH+]1 ZINC001206528213 813341483 /nfs/dbraw/zinc/34/14/83/813341483.db2.gz HNFPYOGENGFHAN-UHFFFAOYSA-N 2 1 262.316 3.469 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542195 813345746 /nfs/dbraw/zinc/34/57/46/813345746.db2.gz UQQUVPSOAIBYQK-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549531 813349224 /nfs/dbraw/zinc/34/92/24/813349224.db2.gz ODPLAOKNMNPGJS-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001206563687 813354310 /nfs/dbraw/zinc/35/43/10/813354310.db2.gz HBQCYTDFTAFTPA-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206564907 813354516 /nfs/dbraw/zinc/35/45/16/813354516.db2.gz RBRODVDSMBFXQA-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)sc1C ZINC001206563645 813355731 /nfs/dbraw/zinc/35/57/31/813355731.db2.gz GAEMBMHLFYNXQO-OAHLLOKOSA-N 2 1 266.454 3.316 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c12 ZINC001206574204 813359507 /nfs/dbraw/zinc/35/95/07/813359507.db2.gz QLXGZHHLOFGDMZ-IBGZPJMESA-N 2 1 297.446 3.494 20 0 CGADMP COc1cc(F)c(C)cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206582130 813362188 /nfs/dbraw/zinc/36/21/88/813362188.db2.gz MCLOLAJXYPDJHC-KRWDZBQOSA-N 2 1 294.414 3.094 20 0 CGADMP COc1cc(F)c(C)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206582130 813362194 /nfs/dbraw/zinc/36/21/94/813362194.db2.gz MCLOLAJXYPDJHC-KRWDZBQOSA-N 2 1 294.414 3.094 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)s1 ZINC001206583417 813364717 /nfs/dbraw/zinc/36/47/17/813364717.db2.gz UMBZDPHJCWTOPK-CQSZACIVSA-N 2 1 266.454 3.409 20 0 CGADMP CCOc1cccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206592212 813367471 /nfs/dbraw/zinc/36/74/71/813367471.db2.gz YJAUIORANHDGPP-KRWDZBQOSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206606335 813371903 /nfs/dbraw/zinc/37/19/03/813371903.db2.gz LDVJUYKFVSPGQH-KRWDZBQOSA-N 2 1 274.452 3.413 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@H](C[NH3+])C2)o1 ZINC001206606144 813373250 /nfs/dbraw/zinc/37/32/50/813373250.db2.gz FMIPFBHNMNHTDJ-ZFWWWQNUSA-N 2 1 264.413 3.142 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001206624546 813378197 /nfs/dbraw/zinc/37/81/97/813378197.db2.gz WJILVFUVEZXMJQ-INIZCTEOSA-N 2 1 295.430 3.309 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001206641054 813384553 /nfs/dbraw/zinc/38/45/53/813384553.db2.gz RVPCWIUWQCLPHX-ZDUSSCGKSA-N 2 1 274.433 3.462 20 0 CGADMP CCC(CC)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206723066 813407693 /nfs/dbraw/zinc/40/76/93/813407693.db2.gz ROCQIUKGXMWDJT-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP CCC(CC)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206723066 813407698 /nfs/dbraw/zinc/40/76/98/813407698.db2.gz ROCQIUKGXMWDJT-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1cccc(Cl)c1 ZINC001206760307 813425543 /nfs/dbraw/zinc/42/55/43/813425543.db2.gz COLJUKLMVDBJCQ-ZFWWWQNUSA-N 2 1 280.843 3.332 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Cl ZINC001206769687 813431907 /nfs/dbraw/zinc/43/19/07/813431907.db2.gz PGLXMVKXGKOJDR-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP CCc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(CC)c1O ZINC001206772144 813433842 /nfs/dbraw/zinc/43/38/42/813433842.db2.gz YPPZJIZRHGHKGJ-KGLIPLIRSA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207185577 813510554 /nfs/dbraw/zinc/51/05/54/813510554.db2.gz PINXBUCDZCPAKT-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001207185577 813510557 /nfs/dbraw/zinc/51/05/57/813510557.db2.gz PINXBUCDZCPAKT-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CCc3nccn3CC2)C1(C)C ZINC001207277674 813531810 /nfs/dbraw/zinc/53/18/10/813531810.db2.gz VEBLOQXPKCGEEK-OAHLLOKOSA-N 2 1 273.424 3.124 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCc3[nH+]ccn3CC2)C1(C)C ZINC001207277674 813531812 /nfs/dbraw/zinc/53/18/12/813531812.db2.gz VEBLOQXPKCGEEK-OAHLLOKOSA-N 2 1 273.424 3.124 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CCc3[nH+]ccn3CC2)C1(C)C ZINC001207277674 813531814 /nfs/dbraw/zinc/53/18/14/813531814.db2.gz VEBLOQXPKCGEEK-OAHLLOKOSA-N 2 1 273.424 3.124 20 0 CGADMP F[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291501 813535943 /nfs/dbraw/zinc/53/59/43/813535943.db2.gz QDZJUXXQEPEORH-GOSISDBHSA-N 2 1 290.426 3.333 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC1 ZINC001207398563 813556735 /nfs/dbraw/zinc/55/67/35/813556735.db2.gz ZXAOTUKKIXNFFI-OAHLLOKOSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCc3c4ccccc4oc3C2)CC1 ZINC001207399381 813556800 /nfs/dbraw/zinc/55/68/00/813556800.db2.gz LGZOOAOSEYSAAY-UHFFFAOYSA-N 2 1 284.403 3.133 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC001207486058 813572305 /nfs/dbraw/zinc/57/23/05/813572305.db2.gz CRJWFQNPBVLNHC-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP Cc1ccc(CC[N@@H+](C)CCC2CC[NH+](C)CC2)cc1 ZINC001207482962 813573381 /nfs/dbraw/zinc/57/33/81/813573381.db2.gz ANTVPLNVWOPOKY-UHFFFAOYSA-N 2 1 274.452 3.201 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CCC2CC[NH+](C)CC2)cc1 ZINC001207486981 813573916 /nfs/dbraw/zinc/57/39/16/813573916.db2.gz PQJXKTOFXRUQID-HNNXBMFYSA-N 2 1 290.451 3.420 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001207486725 813575214 /nfs/dbraw/zinc/57/52/14/813575214.db2.gz BWVPSKALOQYKKX-CALCHBBNSA-N 2 1 284.447 3.305 20 0 CGADMP CN1CCC([N@@H+](C)CCCC2CCCCC2)CC1 ZINC001207606307 813610129 /nfs/dbraw/zinc/61/01/29/813610129.db2.gz ICISIYQTXOPDSG-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@H+](CCCC1CCCCC1)C1CC[NH+](C)CC1 ZINC001207606307 813610134 /nfs/dbraw/zinc/61/01/34/813610134.db2.gz ICISIYQTXOPDSG-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@@H+](CCCC1CCCCC1)C1CC[NH+](C)CC1 ZINC001207606307 813610136 /nfs/dbraw/zinc/61/01/36/813610136.db2.gz ICISIYQTXOPDSG-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCC3CCCCC3)C[C@@H]2C1 ZINC001207608233 813611158 /nfs/dbraw/zinc/61/11/58/813611158.db2.gz IZBLFFPVMWMFJM-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCC(C)(C)C3)C[C@]2(C)C1 ZINC001207691162 813635794 /nfs/dbraw/zinc/63/57/94/813635794.db2.gz AANFLDSXMIHMNG-UXLLHSPISA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCC(C)(C)C3)C[C@]2(C)C1 ZINC001207691162 813635803 /nfs/dbraw/zinc/63/58/03/813635803.db2.gz AANFLDSXMIHMNG-UXLLHSPISA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001207836236 813658374 /nfs/dbraw/zinc/65/83/74/813658374.db2.gz HUKWPOWGGNCXIQ-JJAZEVLHSA-N 2 1 292.854 3.201 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC[C@@H](C)c2ccc(C)o2)CC1 ZINC001208154825 813712822 /nfs/dbraw/zinc/71/28/22/813712822.db2.gz ICBZPZJIVYBRIV-CQSZACIVSA-N 2 1 278.440 3.498 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](C)c2ccc(C)o2)CC1 ZINC001208154825 813712827 /nfs/dbraw/zinc/71/28/27/813712827.db2.gz ICBZPZJIVYBRIV-CQSZACIVSA-N 2 1 278.440 3.498 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001208179367 813730450 /nfs/dbraw/zinc/73/04/50/813730450.db2.gz XXJDMGQNKLOSQQ-RDJZCZTQSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001208595473 813769081 /nfs/dbraw/zinc/76/90/81/813769081.db2.gz UGDAADOUJZVXFE-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP Cc1cccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)c1 ZINC001208604083 813771084 /nfs/dbraw/zinc/77/10/84/813771084.db2.gz LADBITHQCHWIPX-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)c1 ZINC001208604083 813771085 /nfs/dbraw/zinc/77/10/85/813771085.db2.gz LADBITHQCHWIPX-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208604083 813771090 /nfs/dbraw/zinc/77/10/90/813771090.db2.gz LADBITHQCHWIPX-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208604083 813771094 /nfs/dbraw/zinc/77/10/94/813771094.db2.gz LADBITHQCHWIPX-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001208605080 813771539 /nfs/dbraw/zinc/77/15/39/813771539.db2.gz YGOWFWCCLBSUJX-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@@H+](C)C1CCN(C[C@H](C)OCc2ccccc2)CC1 ZINC001208705659 813807809 /nfs/dbraw/zinc/80/78/09/813807809.db2.gz ZWKVVZSZGQAELE-INIZCTEOSA-N 2 1 290.451 3.008 20 0 CGADMP CC[N@H+](C)C1CC[NH+](C[C@H](C)OCc2ccccc2)CC1 ZINC001208705659 813807817 /nfs/dbraw/zinc/80/78/17/813807817.db2.gz ZWKVVZSZGQAELE-INIZCTEOSA-N 2 1 290.451 3.008 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C[C@H](C)OCc2ccccc2)CC1 ZINC001208705659 813807824 /nfs/dbraw/zinc/80/78/24/813807824.db2.gz ZWKVVZSZGQAELE-INIZCTEOSA-N 2 1 290.451 3.008 20 0 CGADMP CC/C=C\CC[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001208732582 813821382 /nfs/dbraw/zinc/82/13/82/813821382.db2.gz CPBJMUSBRJCDIQ-FOSCPCJNSA-N 2 1 260.381 3.199 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](CCCc3ccccc3Cl)C[C@H]2C1 ZINC001208873566 813877826 /nfs/dbraw/zinc/87/78/26/813877826.db2.gz GYJZQLZXGRJQPK-HZPDHXFCSA-N 2 1 292.854 3.156 20 0 CGADMP CC(C)C[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929086 813903830 /nfs/dbraw/zinc/90/38/30/813903830.db2.gz NIGXVPZGIDQNFL-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929086 813903834 /nfs/dbraw/zinc/90/38/34/813903834.db2.gz NIGXVPZGIDQNFL-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929086 813903840 /nfs/dbraw/zinc/90/38/40/813903840.db2.gz NIGXVPZGIDQNFL-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@H]1CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947820 813908964 /nfs/dbraw/zinc/90/89/64/813908964.db2.gz DILJLBRHHIBODW-MSOLQXFVSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@H]1CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947820 813908971 /nfs/dbraw/zinc/90/89/71/813908971.db2.gz DILJLBRHHIBODW-MSOLQXFVSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@H]1CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947820 813908977 /nfs/dbraw/zinc/90/89/77/813908977.db2.gz DILJLBRHHIBODW-MSOLQXFVSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc(F)ccc12)CC1CC[NH+](C)CC1 ZINC001209692948 814113056 /nfs/dbraw/zinc/11/30/56/814113056.db2.gz NFHSVMLYLPYRJJ-UHFFFAOYSA-N 2 1 289.398 3.081 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH+]ccc1N ZINC001209735996 814123724 /nfs/dbraw/zinc/12/37/24/814123724.db2.gz BZRUPRXVHDQMGE-QGZVFWFLSA-N 2 1 267.376 3.004 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209735996 814123729 /nfs/dbraw/zinc/12/37/29/814123729.db2.gz BZRUPRXVHDQMGE-QGZVFWFLSA-N 2 1 267.376 3.004 20 0 CGADMP C[N@H+](Cc1c[nH+]ccc1N)Cc1cccc2ccccc21 ZINC001209733855 814124037 /nfs/dbraw/zinc/12/40/37/814124037.db2.gz IGROUQWEBFISCP-UHFFFAOYSA-N 2 1 277.371 3.279 20 0 CGADMP C[N@@H+](Cc1c[nH+]ccc1N)Cc1cccc2ccccc21 ZINC001209733855 814124044 /nfs/dbraw/zinc/12/40/44/814124044.db2.gz IGROUQWEBFISCP-UHFFFAOYSA-N 2 1 277.371 3.279 20 0 CGADMP C[NH+](C)CCc1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1 ZINC001209851130 814170572 /nfs/dbraw/zinc/17/05/72/814170572.db2.gz IMBAVBZYEJZUCL-UHFFFAOYSA-N 2 1 280.375 3.411 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)CC[NH2+]1 ZINC001210518286 814504138 /nfs/dbraw/zinc/50/41/38/814504138.db2.gz GCCYNENXWXXDBR-CQSZACIVSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[NH2+]1 ZINC001210518286 814504140 /nfs/dbraw/zinc/50/41/40/814504140.db2.gz GCCYNENXWXXDBR-CQSZACIVSA-N 2 1 258.409 3.138 20 0 CGADMP COc1cc[nH+]c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001210705374 814589396 /nfs/dbraw/zinc/58/93/96/814589396.db2.gz RXDNFWBPDSIICG-AWEZNQCLSA-N 2 1 273.380 3.034 20 0 CGADMP Oc1c(Cl)[nH]ccc1=[NH+]C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210707605 814590634 /nfs/dbraw/zinc/59/06/34/814590634.db2.gz ZGMZZHUYPSBRII-LBPRGKRZSA-N 2 1 293.798 3.385 20 0 CGADMP C[NH2+]Cc1cccc(Nc2[nH+]c3ccccc3n2C)c1 ZINC001211134497 814758453 /nfs/dbraw/zinc/75/84/53/814758453.db2.gz MMMRWBAXOFXBJW-UHFFFAOYSA-N 2 1 266.348 3.036 20 0 CGADMP C[NH2+]Cc1cccc(Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC001211138046 814836918 /nfs/dbraw/zinc/83/69/18/814836918.db2.gz ZYDIRJVAKLGENJ-UHFFFAOYSA-N 2 1 266.348 3.106 20 0 CGADMP CNc1cc(Nc2cccn3c(C)c(C)[nH+]c23)cc[nH+]1 ZINC001216333983 815787541 /nfs/dbraw/zinc/78/75/41/815787541.db2.gz QOEGMCPAPRNOMF-UHFFFAOYSA-N 2 1 267.336 3.131 20 0 CGADMP [NH3+]CCCCCCO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001217823293 815970674 /nfs/dbraw/zinc/97/06/74/815970674.db2.gz QNEXMZSIXNPCLH-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1Cl ZINC001222154441 816363312 /nfs/dbraw/zinc/36/33/12/816363312.db2.gz MKAVCAMRNJKQBN-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1Cl ZINC001222154441 816363316 /nfs/dbraw/zinc/36/33/16/816363316.db2.gz MKAVCAMRNJKQBN-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Oc1ccc2cc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001222242519 816384415 /nfs/dbraw/zinc/38/44/15/816384415.db2.gz DDSTZGUOFNZBHR-IBGZPJMESA-N 2 1 296.414 3.263 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001222242519 816384423 /nfs/dbraw/zinc/38/44/23/816384423.db2.gz DDSTZGUOFNZBHR-IBGZPJMESA-N 2 1 296.414 3.263 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@]12CCC[NH2+]CC2)c1ccccc1 ZINC001222308358 816403656 /nfs/dbraw/zinc/40/36/56/816403656.db2.gz IYFNRPGHNZSSFF-FUHWJXTLSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@]12CCC[NH2+]CC2)c1ccccc1 ZINC001222308359 816403960 /nfs/dbraw/zinc/40/39/60/816403960.db2.gz IYFNRPGHNZSSFF-SJLPKXTDSA-N 2 1 272.436 3.398 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222307714 816403999 /nfs/dbraw/zinc/40/39/99/816403999.db2.gz ALKSAVUYJCSEIR-MRXNPFEDSA-N 2 1 278.827 3.448 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222314552 816406325 /nfs/dbraw/zinc/40/63/25/816406325.db2.gz HQEIRHRWEHFHGZ-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP Clc1ccc(CCC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222345228 816414175 /nfs/dbraw/zinc/41/41/75/816414175.db2.gz JNKZGWYZRGKOPU-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222345228 816414178 /nfs/dbraw/zinc/41/41/78/816414178.db2.gz JNKZGWYZRGKOPU-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1ccccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596113 816474646 /nfs/dbraw/zinc/47/46/46/816474646.db2.gz PYEJGXYXDMUQLI-LJQANCHMSA-N 2 1 292.426 3.184 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001222629984 816483774 /nfs/dbraw/zinc/48/37/74/816483774.db2.gz UPODDYKHZJEGJG-KDURUIRLSA-N 2 1 286.463 3.461 20 0 CGADMP c1c2ccccc2[nH]c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001243103810 823248152 /nfs/dbraw/zinc/24/81/52/823248152.db2.gz MISWCJDHCVYMJT-UHFFFAOYSA-N 2 1 288.354 3.169 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Cl ZINC001231422646 818095722 /nfs/dbraw/zinc/09/57/22/818095722.db2.gz YYFYNAWNMRPCLZ-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(CC)s3)C[C@H]2C1 ZINC001231503227 818115532 /nfs/dbraw/zinc/11/55/32/818115532.db2.gz UNSCFHYGPFPEQA-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(CC)s3)C[C@@H]2C1 ZINC001231503227 818115535 /nfs/dbraw/zinc/11/55/35/818115535.db2.gz UNSCFHYGPFPEQA-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(CC)s3)C[C@@H]2C1 ZINC001231503227 818115540 /nfs/dbraw/zinc/11/55/40/818115540.db2.gz UNSCFHYGPFPEQA-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(CC)s3)C[C@@H]2C1 ZINC001231503227 818115546 /nfs/dbraw/zinc/11/55/46/818115546.db2.gz UNSCFHYGPFPEQA-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(CC)s3)C[C@@H]2C1 ZINC001231503227 818115549 /nfs/dbraw/zinc/11/55/49/818115549.db2.gz UNSCFHYGPFPEQA-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC1(F)F ZINC001232011647 818233753 /nfs/dbraw/zinc/23/37/53/818233753.db2.gz NPYIMEHARVAOLP-LLVKDONJSA-N 2 1 279.334 3.430 20 0 CGADMP C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232144659 818265080 /nfs/dbraw/zinc/26/50/80/818265080.db2.gz MUZLVUWGUWHJHT-LRDDRELGSA-N 2 1 282.378 3.067 20 0 CGADMP C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232144659 818265086 /nfs/dbraw/zinc/26/50/86/818265086.db2.gz MUZLVUWGUWHJHT-LRDDRELGSA-N 2 1 282.378 3.067 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3nccc4ccccc43)C2)CC1 ZINC001232252172 818294262 /nfs/dbraw/zinc/29/42/62/818294262.db2.gz LUSYYOSAVCZBPT-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(C)s2)CC1 ZINC001233685226 818680533 /nfs/dbraw/zinc/68/05/33/818680533.db2.gz OUOWOIXPHRLEEF-UHFFFAOYSA-N 2 1 266.454 3.281 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(C)s2)CC1 ZINC001233685226 818680535 /nfs/dbraw/zinc/68/05/35/818680535.db2.gz OUOWOIXPHRLEEF-UHFFFAOYSA-N 2 1 266.454 3.281 20 0 CGADMP COc1cc(C[N@@H+](C)CC2CCC2)ccc1-n1ccnc1 ZINC001234067428 818771724 /nfs/dbraw/zinc/77/17/24/818771724.db2.gz UNVZLONZQOENDP-UHFFFAOYSA-N 2 1 285.391 3.113 20 0 CGADMP C[C@@H](CC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1)CC(C)(C)C ZINC001235004596 818976367 /nfs/dbraw/zinc/97/63/67/818976367.db2.gz BPIOWEWCNOOTAU-WMZOPIPTSA-N 2 1 296.499 3.151 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235002821 818977126 /nfs/dbraw/zinc/97/71/26/818977126.db2.gz XNHQEEONNLOAGA-LJQANCHMSA-N 2 1 295.430 3.053 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235007612 818977832 /nfs/dbraw/zinc/97/78/32/818977832.db2.gz OUNREHMDYCBNOS-JXCVUKRWSA-N 2 1 294.483 3.215 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038299 818986177 /nfs/dbraw/zinc/98/61/77/818986177.db2.gz FRKRLHNYABBATG-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235041773 818989000 /nfs/dbraw/zinc/98/90/00/818989000.db2.gz SJXCXLKPUMYNDI-QGZVFWFLSA-N 2 1 258.409 3.103 20 0 CGADMP Fc1cc(F)cc(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042269 818989041 /nfs/dbraw/zinc/98/90/41/818989041.db2.gz XJLGKMBLAKNMHL-KRWDZBQOSA-N 2 1 294.389 3.115 20 0 CGADMP Fc1cc(F)cc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042269 818989045 /nfs/dbraw/zinc/98/90/45/818989045.db2.gz XJLGKMBLAKNMHL-KRWDZBQOSA-N 2 1 294.389 3.115 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC3(C2)CC[NH2+]CC3)C1(C)C ZINC001235092550 818998861 /nfs/dbraw/zinc/99/88/61/818998861.db2.gz LIPLQFSQDCXYGX-INIZCTEOSA-N 2 1 276.468 3.444 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235093969 818999421 /nfs/dbraw/zinc/99/94/21/818999421.db2.gz URNKVZVKACUSSH-UHFFFAOYSA-N 2 1 295.430 3.053 20 0 CGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2c(c1)CCCC2 ZINC001235093996 818999830 /nfs/dbraw/zinc/99/98/30/818999830.db2.gz WDPYMWQHXQUKJI-UHFFFAOYSA-N 2 1 284.447 3.141 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235118543 819009918 /nfs/dbraw/zinc/00/99/18/819009918.db2.gz VYYSCONOZFTKKP-KRWDZBQOSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235118543 819009921 /nfs/dbraw/zinc/00/99/21/819009921.db2.gz VYYSCONOZFTKKP-KRWDZBQOSA-N 2 1 258.409 3.021 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001235126590 819012214 /nfs/dbraw/zinc/01/22/14/819012214.db2.gz URIUMSIZHSXTJT-ULQDDVLXSA-N 2 1 262.441 3.197 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235141206 819014832 /nfs/dbraw/zinc/01/48/32/819014832.db2.gz PBDYFDHLPYSRSZ-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C1CCCC1 ZINC001235152691 819018615 /nfs/dbraw/zinc/01/86/15/819018615.db2.gz OWZACJSPJFYUPP-KRWDZBQOSA-N 2 1 264.457 3.421 20 0 CGADMP CCc1ccccc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235167724 819021500 /nfs/dbraw/zinc/02/15/00/819021500.db2.gz OCGGGQWSFZROFR-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235167724 819021501 /nfs/dbraw/zinc/02/15/01/819021501.db2.gz OCGGGQWSFZROFR-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP Fc1cccc(CCC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235175958 819023868 /nfs/dbraw/zinc/02/38/68/819023868.db2.gz YHKZPYMALKOWHI-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235175958 819023875 /nfs/dbraw/zinc/02/38/75/819023875.db2.gz YHKZPYMALKOWHI-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1)c1cccc2ccccc21 ZINC001235188262 819027383 /nfs/dbraw/zinc/02/73/83/819027383.db2.gz NQVDUGLGICGAHH-SIXWZSSISA-N 2 1 280.415 3.237 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1)c1cccc2ccccc21 ZINC001235188262 819027390 /nfs/dbraw/zinc/02/73/90/819027390.db2.gz NQVDUGLGICGAHH-SIXWZSSISA-N 2 1 280.415 3.237 20 0 CGADMP Clc1cccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191257 819031268 /nfs/dbraw/zinc/03/12/68/819031268.db2.gz REXKJTRUDKZLHW-UHFFFAOYSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1cccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191257 819031274 /nfs/dbraw/zinc/03/12/74/819031274.db2.gz REXKJTRUDKZLHW-UHFFFAOYSA-N 2 1 278.827 3.448 20 0 CGADMP c1cc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cs1 ZINC001235192565 819031523 /nfs/dbraw/zinc/03/15/23/819031523.db2.gz DGQJMLGWWKUNOG-SJLPKXTDSA-N 2 1 298.455 3.456 20 0 CGADMP CC(C)(CC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1ccccc1 ZINC001235209275 819037195 /nfs/dbraw/zinc/03/71/95/819037195.db2.gz LKURHZYAOSHABP-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)(CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1ccccc1 ZINC001235209275 819037198 /nfs/dbraw/zinc/03/71/98/819037198.db2.gz LKURHZYAOSHABP-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001235244739 819047125 /nfs/dbraw/zinc/04/71/25/819047125.db2.gz IIKZDNAJMKTXQJ-RDTXWAMCSA-N 2 1 284.378 3.292 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001235244739 819047129 /nfs/dbraw/zinc/04/71/29/819047129.db2.gz IIKZDNAJMKTXQJ-RDTXWAMCSA-N 2 1 284.378 3.292 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235248387 819047553 /nfs/dbraw/zinc/04/75/53/819047553.db2.gz SJQHTKZSVBEXJS-IAGOWNOFSA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235248387 819047557 /nfs/dbraw/zinc/04/75/57/819047557.db2.gz SJQHTKZSVBEXJS-IAGOWNOFSA-N 2 1 258.409 3.123 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cc2ccccc2)cc1 ZINC001235254309 819051592 /nfs/dbraw/zinc/05/15/92/819051592.db2.gz HWFZQVOAENRPNR-UFYCRDLUSA-N 2 1 292.426 3.199 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235256883 819053058 /nfs/dbraw/zinc/05/30/58/819053058.db2.gz GXBYDJHZAAUSQJ-JSGCOSHPSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235256883 819053063 /nfs/dbraw/zinc/05/30/63/819053063.db2.gz GXBYDJHZAAUSQJ-JSGCOSHPSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405136 819087314 /nfs/dbraw/zinc/08/73/14/819087314.db2.gz NVIVULBLSGKFOB-JKSUJKDBSA-N 2 1 296.817 3.172 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405136 819087320 /nfs/dbraw/zinc/08/73/20/819087320.db2.gz NVIVULBLSGKFOB-JKSUJKDBSA-N 2 1 296.817 3.172 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC001235424067 819092962 /nfs/dbraw/zinc/09/29/62/819092962.db2.gz JLFOIJUOOWCULC-CVEARBPZSA-N 2 1 297.446 3.380 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235423969 819092997 /nfs/dbraw/zinc/09/29/97/819092997.db2.gz HNDVQGKTRJRUCJ-OALUTQOASA-N 2 1 286.463 3.249 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235426639 819093293 /nfs/dbraw/zinc/09/32/93/819093293.db2.gz OWUZLSRNMPDSGB-DLBZAZTESA-N 2 1 290.451 3.232 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235426640 819093325 /nfs/dbraw/zinc/09/33/25/819093325.db2.gz OWUZLSRNMPDSGB-IAGOWNOFSA-N 2 1 290.451 3.232 20 0 CGADMP Fc1ccccc1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428986 819094400 /nfs/dbraw/zinc/09/44/00/819094400.db2.gz WBGHMSSIBZYNCZ-DLBZAZTESA-N 2 1 290.426 3.080 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235662898 819132276 /nfs/dbraw/zinc/13/22/76/819132276.db2.gz DKHMIIBEJYTXPG-UHFFFAOYSA-N 2 1 272.436 3.207 20 0 CGADMP Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001235676142 819137464 /nfs/dbraw/zinc/13/74/64/819137464.db2.gz XQEIZORMNAJZRC-SFHVURJKSA-N 2 1 296.414 3.107 20 0 CGADMP c1ccc(CCCCC[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711155 819148709 /nfs/dbraw/zinc/14/87/09/819148709.db2.gz KSRPIQQBXFWGMO-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCCC3(C[NH2+]C3)C2)C1(C)C ZINC001235712036 819148914 /nfs/dbraw/zinc/14/89/14/819148914.db2.gz YGUBATBWMNUUBW-HNNXBMFYSA-N 2 1 262.441 3.054 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1Cl ZINC001235717365 819150164 /nfs/dbraw/zinc/15/01/64/819150164.db2.gz RZLFSXNMEFYKOR-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001235751060 819160488 /nfs/dbraw/zinc/16/04/88/819160488.db2.gz VFXHMJMCJGNXKY-OAHLLOKOSA-N 2 1 284.378 3.273 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1C)C1CC[NH2+]CC1 ZINC001235761573 819162118 /nfs/dbraw/zinc/16/21/18/819162118.db2.gz MOONUPJMFBDFKS-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP CCCCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1 ZINC001235808801 819172851 /nfs/dbraw/zinc/17/28/51/819172851.db2.gz GZXDUNAASSXENW-BCDXTJNWSA-N 2 1 272.436 3.483 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235839121 819182302 /nfs/dbraw/zinc/18/23/02/819182302.db2.gz KFEORCAPDBVMSS-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235843125 819184729 /nfs/dbraw/zinc/18/47/29/819184729.db2.gz VYXSBZMNGZOZCN-INIZCTEOSA-N 2 1 274.452 3.416 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001235892226 819201888 /nfs/dbraw/zinc/20/18/88/819201888.db2.gz MZHHZKCXDSFHAM-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001235892226 819201893 /nfs/dbraw/zinc/20/18/93/819201893.db2.gz MZHHZKCXDSFHAM-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235893121 819202104 /nfs/dbraw/zinc/20/21/04/819202104.db2.gz ROKFIEVGVJHUKG-KBXCAEBGSA-N 2 1 296.414 3.371 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235893121 819202110 /nfs/dbraw/zinc/20/21/10/819202110.db2.gz ROKFIEVGVJHUKG-KBXCAEBGSA-N 2 1 296.414 3.371 20 0 CGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@H]3CC[NH3+])ccc2O1 ZINC001235924907 819223263 /nfs/dbraw/zinc/22/32/63/819223263.db2.gz BTQGGJMOAYNKBR-INIZCTEOSA-N 2 1 288.435 3.103 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925394 819224642 /nfs/dbraw/zinc/22/46/42/819224642.db2.gz LABKITKTHQSUIV-KRWDZBQOSA-N 2 1 260.425 3.342 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c[nH]c2cccc(Cl)c12 ZINC001235925565 819224979 /nfs/dbraw/zinc/22/49/79/819224979.db2.gz VGTMEWHODSYHKZ-LBPRGKRZSA-N 2 1 277.799 3.135 20 0 CGADMP Clc1cccc(Cl)c1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929741 819227769 /nfs/dbraw/zinc/22/77/69/819227769.db2.gz RTUPNDYTOATRIQ-NWDGAFQWSA-N 2 1 299.245 3.077 20 0 CGADMP Clc1cccc(Cl)c1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929741 819227774 /nfs/dbraw/zinc/22/77/74/819227774.db2.gz RTUPNDYTOATRIQ-NWDGAFQWSA-N 2 1 299.245 3.077 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235929836 819228027 /nfs/dbraw/zinc/22/80/27/819228027.db2.gz UXEVPOYDDQMWLK-UXHICEINSA-N 2 1 292.426 3.395 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939871 819234450 /nfs/dbraw/zinc/23/44/50/819234450.db2.gz QTRDCJIMVLWYIE-CVEARBPZSA-N 2 1 298.455 3.456 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@@H](C3CCCCC3)C2)CO1 ZINC001235949413 819239544 /nfs/dbraw/zinc/23/95/44/819239544.db2.gz JPDSGNCRXZIQIS-CVEARBPZSA-N 2 1 280.456 3.003 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@@H](C3CCCCC3)C2)CO1 ZINC001235949413 819239550 /nfs/dbraw/zinc/23/95/50/819239550.db2.gz JPDSGNCRXZIQIS-CVEARBPZSA-N 2 1 280.456 3.003 20 0 CGADMP Fc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235949469 819240108 /nfs/dbraw/zinc/24/01/08/819240108.db2.gz MBQYMZKWRQXKMS-RDJZCZTQSA-N 2 1 276.399 3.147 20 0 CGADMP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001235950488 819241416 /nfs/dbraw/zinc/24/14/16/819241416.db2.gz IAKQWGCTGHYZOB-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001235950488 819241421 /nfs/dbraw/zinc/24/14/21/819241421.db2.gz IAKQWGCTGHYZOB-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235956458 819244353 /nfs/dbraw/zinc/24/43/53/819244353.db2.gz DNMMQXKXXAMYHJ-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235958296 819245498 /nfs/dbraw/zinc/24/54/98/819245498.db2.gz CXGWWWHUYXQZKT-GFCCVEGCSA-N 2 1 298.883 3.493 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235958296 819245500 /nfs/dbraw/zinc/24/55/00/819245500.db2.gz CXGWWWHUYXQZKT-GFCCVEGCSA-N 2 1 298.883 3.493 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1F ZINC001235960189 819246787 /nfs/dbraw/zinc/24/67/87/819246787.db2.gz HGTRLNZBAIUTRD-UHFFFAOYSA-N 2 1 298.405 3.494 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)CCC1CC[NH2+]CC1 ZINC001235958843 819247555 /nfs/dbraw/zinc/24/75/55/819247555.db2.gz BDQSWYIWXLPTKG-VMPITWQZSA-N 2 1 258.409 3.021 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959997 819248039 /nfs/dbraw/zinc/24/80/39/819248039.db2.gz RIXGFNIGJHLBGP-WCXIOVBPSA-N 2 1 296.499 3.277 20 0 CGADMP c1ccc2c(c1)C[N@H+](CC1CCCC1)CC21CC[NH2+]CC1 ZINC001235975299 819256521 /nfs/dbraw/zinc/25/65/21/819256521.db2.gz ZKBAEAJAUUSSKG-UHFFFAOYSA-N 2 1 284.447 3.314 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c2ccccc12 ZINC001235980774 819256855 /nfs/dbraw/zinc/25/68/55/819256855.db2.gz ODGKTQBKSIQZKK-CRAIPNDOSA-N 2 1 266.388 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c2ccccc12 ZINC001235980774 819256860 /nfs/dbraw/zinc/25/68/60/819256860.db2.gz ODGKTQBKSIQZKK-CRAIPNDOSA-N 2 1 266.388 3.071 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC001235990941 819262867 /nfs/dbraw/zinc/26/28/67/819262867.db2.gz FAYMWMKDXJZTKJ-CZUORRHYSA-N 2 1 294.389 3.142 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001235990941 819262874 /nfs/dbraw/zinc/26/28/74/819262874.db2.gz FAYMWMKDXJZTKJ-CZUORRHYSA-N 2 1 294.389 3.142 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])Cc1cccc(F)c1 ZINC001236042255 819280924 /nfs/dbraw/zinc/28/09/24/819280924.db2.gz POPLEYOHUFDGLR-UHFFFAOYSA-N 2 1 252.377 3.167 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2sc3ccccc3c2C)C1 ZINC001236066011 819298383 /nfs/dbraw/zinc/29/83/83/819298383.db2.gz GAHZPDRVKAJADK-ZDUSSCGKSA-N 2 1 274.433 3.251 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)c3ccccc23)C1 ZINC001236068282 819298875 /nfs/dbraw/zinc/29/88/75/819298875.db2.gz XOLUXFNFDLWPHJ-HNNXBMFYSA-N 2 1 268.404 3.190 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1F)CC1CC2(C1)CC[NH2+]CC2 ZINC001236072729 819301695 /nfs/dbraw/zinc/30/16/95/819301695.db2.gz WGTUSDWMTIVSDS-UHFFFAOYSA-N 2 1 294.389 3.176 20 0 CGADMP Clc1cccc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC001236078695 819304198 /nfs/dbraw/zinc/30/41/98/819304198.db2.gz LHGCNBCYDRJSNB-ZDUSSCGKSA-N 2 1 278.827 3.088 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1[NH3+] ZINC001236093811 819311683 /nfs/dbraw/zinc/31/16/83/819311683.db2.gz KKJCXXDFLGNPMX-WBMJQRKESA-N 2 1 280.371 3.365 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1[NH3+] ZINC001236093811 819311692 /nfs/dbraw/zinc/31/16/92/819311692.db2.gz KKJCXXDFLGNPMX-WBMJQRKESA-N 2 1 280.371 3.365 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001236093037 819313137 /nfs/dbraw/zinc/31/31/37/819313137.db2.gz DWHZUMLXEFGNSF-DAYGRLMNSA-N 2 1 274.452 3.268 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1SC ZINC001236108097 819324196 /nfs/dbraw/zinc/32/41/96/819324196.db2.gz IQPQWGGULPYHBK-TZMCWYRMSA-N 2 1 264.438 3.283 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1SC ZINC001236108097 819324200 /nfs/dbraw/zinc/32/42/00/819324200.db2.gz IQPQWGGULPYHBK-TZMCWYRMSA-N 2 1 264.438 3.283 20 0 CGADMP C[N@@H+](CC1(F)CC[NH2+]CC1)C(C)(C)Cc1ccccc1 ZINC001236155850 819348170 /nfs/dbraw/zinc/34/81/70/819348170.db2.gz QZPFDTWDIBXVEQ-UHFFFAOYSA-N 2 1 278.415 3.031 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c[nH]c2c1 ZINC001236210489 819372999 /nfs/dbraw/zinc/37/29/99/819372999.db2.gz CWSVIIAKVIBUGP-RDJZCZTQSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c[nH]c2c1 ZINC001236210489 819373006 /nfs/dbraw/zinc/37/30/06/819373006.db2.gz CWSVIIAKVIBUGP-RDJZCZTQSA-N 2 1 271.408 3.178 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217883 819384258 /nfs/dbraw/zinc/38/42/58/819384258.db2.gz QPUVKVSDWWMZRG-MOPGFXCFSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217883 819384263 /nfs/dbraw/zinc/38/42/63/819384263.db2.gz QPUVKVSDWWMZRG-MOPGFXCFSA-N 2 1 295.430 3.450 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC001236219766 819386663 /nfs/dbraw/zinc/38/66/63/819386663.db2.gz XIVJCHKAIRGXKT-IRXDYDNUSA-N 2 1 290.451 3.484 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC001236219766 819386669 /nfs/dbraw/zinc/38/66/69/819386669.db2.gz XIVJCHKAIRGXKT-IRXDYDNUSA-N 2 1 290.451 3.484 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222028 819387659 /nfs/dbraw/zinc/38/76/59/819387659.db2.gz JYBLGDHCOBXBKW-SHTZXODSSA-N 2 1 296.842 3.440 20 0 CGADMP C[N@@H+](CCC(C)(C)c1ccccc1)C1(C)CC[NH2+]CC1 ZINC001236222417 819389689 /nfs/dbraw/zinc/38/96/89/819389689.db2.gz IEIWJECFJHQZOR-UHFFFAOYSA-N 2 1 274.452 3.428 20 0 CGADMP CC[N@@H+](CCC1C[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC001236267002 819409953 /nfs/dbraw/zinc/40/99/53/819409953.db2.gz VCAGMWFFTMMINR-UHFFFAOYSA-N 2 1 287.234 3.425 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236349659 819431059 /nfs/dbraw/zinc/43/10/59/819431059.db2.gz AJWVPTIANXMYGM-YNEHKIRRSA-N 2 1 280.378 3.414 20 0 CGADMP CCC(=O)C(C)(C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371271 819439949 /nfs/dbraw/zinc/43/99/49/819439949.db2.gz JNAOWZCYAPBZPH-OAHLLOKOSA-N 2 1 294.483 3.236 20 0 CGADMP Nc1ccccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374520 819442269 /nfs/dbraw/zinc/44/22/69/819442269.db2.gz DKJSZEQJVOUWEC-OAHLLOKOSA-N 2 1 287.451 3.013 20 0 CGADMP CCOC(C)(C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373496 819443025 /nfs/dbraw/zinc/44/30/25/819443025.db2.gz XSCNAISHHPILMO-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](CCCc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236407505 819454237 /nfs/dbraw/zinc/45/42/37/819454237.db2.gz DXHJVLCNNUTZAV-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236412362 819458963 /nfs/dbraw/zinc/45/89/63/819458963.db2.gz SVOBAVVPEMWZKM-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP CC[N@H+](Cc1ccc(F)cc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236412362 819458968 /nfs/dbraw/zinc/45/89/68/819458968.db2.gz SVOBAVVPEMWZKM-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC001236429420 819474367 /nfs/dbraw/zinc/47/43/67/819474367.db2.gz UYXXKSQDNLDZJO-WBVHZDCISA-N 2 1 258.409 3.050 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001236435703 819478101 /nfs/dbraw/zinc/47/81/01/819478101.db2.gz UXZQAPYKCGZZPD-KSSFIOAISA-N 2 1 286.394 3.316 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001236435703 819478104 /nfs/dbraw/zinc/47/81/04/819478104.db2.gz UXZQAPYKCGZZPD-KSSFIOAISA-N 2 1 286.394 3.316 20 0 CGADMP CC(C)(C)C[N@@H+](CC1CCCC1)C1CC[NH2+]CC1 ZINC001236455768 819485194 /nfs/dbraw/zinc/48/51/94/819485194.db2.gz YSQCHWMSPUWXNB-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CCc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236469435 819489665 /nfs/dbraw/zinc/48/96/65/819489665.db2.gz XIGJKZXOLHJZEK-QGZVFWFLSA-N 2 1 260.425 3.211 20 0 CGADMP CCc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236469435 819489671 /nfs/dbraw/zinc/48/96/71/819489671.db2.gz XIGJKZXOLHJZEK-QGZVFWFLSA-N 2 1 260.425 3.211 20 0 CGADMP CSc1ccccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236600341 819549316 /nfs/dbraw/zinc/54/93/16/819549316.db2.gz GPDGLIXAGSODFJ-CQSZACIVSA-N 2 1 290.476 3.373 20 0 CGADMP CSc1ccccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236600341 819549322 /nfs/dbraw/zinc/54/93/22/819549322.db2.gz GPDGLIXAGSODFJ-CQSZACIVSA-N 2 1 290.476 3.373 20 0 CGADMP Cc1cc(F)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236602130 819550278 /nfs/dbraw/zinc/55/02/78/819550278.db2.gz UOZVXWZXHBQJQZ-CQSZACIVSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001236614688 819552469 /nfs/dbraw/zinc/55/24/69/819552469.db2.gz ARAHBODMTBGICV-OAHLLOKOSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001236614688 819552473 /nfs/dbraw/zinc/55/24/73/819552473.db2.gz ARAHBODMTBGICV-OAHLLOKOSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(C)c1Cl ZINC001236616455 819554322 /nfs/dbraw/zinc/55/43/22/819554322.db2.gz NORQCDIQOPEAES-OAHLLOKOSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)c1Cl ZINC001236616455 819554325 /nfs/dbraw/zinc/55/43/25/819554325.db2.gz NORQCDIQOPEAES-OAHLLOKOSA-N 2 1 266.816 3.128 20 0 CGADMP CCC(CC)[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783302 819592876 /nfs/dbraw/zinc/59/28/76/819592876.db2.gz SGGMMKQKMQHDCW-BQFCYCMXSA-N 3 1 295.515 3.137 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC001236817254 819605598 /nfs/dbraw/zinc/60/55/98/819605598.db2.gz AOCYLIJMNPNIRT-UXIGCNINSA-N 2 1 299.245 3.205 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236819301 819606670 /nfs/dbraw/zinc/60/66/70/819606670.db2.gz MIYJVSKMAJJWAP-NILFDRSVSA-N 2 1 298.352 3.183 20 0 CGADMP CCC[N@H+](Cc1cc(C(C)(C)C)c[nH]1)C[C@@H]1CC[NH2+]C1 ZINC001236844957 819619676 /nfs/dbraw/zinc/61/96/76/819619676.db2.gz XVLRXHWTUDBVKH-CQSZACIVSA-N 2 1 277.456 3.134 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1cccc(C(F)(F)F)c1 ZINC001236858354 819624523 /nfs/dbraw/zinc/62/45/23/819624523.db2.gz BJPVNTNFNWHNEE-AWEZNQCLSA-N 2 1 288.357 3.307 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1cccc(C(F)(F)F)c1 ZINC001236858354 819624527 /nfs/dbraw/zinc/62/45/27/819624527.db2.gz BJPVNTNFNWHNEE-AWEZNQCLSA-N 2 1 288.357 3.307 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237081800 819662627 /nfs/dbraw/zinc/66/26/27/819662627.db2.gz MORJVZGZXMUDSF-QGZVFWFLSA-N 2 1 260.425 3.371 20 0 CGADMP Cc1cccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1C ZINC001237147069 819677928 /nfs/dbraw/zinc/67/79/28/819677928.db2.gz WIMVIWUPYBRRFO-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1cccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1C ZINC001237147069 819677932 /nfs/dbraw/zinc/67/79/32/819677932.db2.gz WIMVIWUPYBRRFO-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP c1cc2cccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2[nH]1 ZINC001237158452 819684280 /nfs/dbraw/zinc/68/42/80/819684280.db2.gz YJMQTIUKPVNVPR-KRWDZBQOSA-N 2 1 283.419 3.274 20 0 CGADMP c1cc2cccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2[nH]1 ZINC001237158452 819684285 /nfs/dbraw/zinc/68/42/85/819684285.db2.gz YJMQTIUKPVNVPR-KRWDZBQOSA-N 2 1 283.419 3.274 20 0 CGADMP CC1(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CCCCC1 ZINC001237379423 819738100 /nfs/dbraw/zinc/73/81/00/819738100.db2.gz BHAVLCWOHOZAFC-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)c1ccccc1 ZINC001237384923 819740583 /nfs/dbraw/zinc/74/05/83/819740583.db2.gz ZATQPGLCXLZJQH-AEFFLSMTSA-N 2 1 286.463 3.428 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237395564 819743540 /nfs/dbraw/zinc/74/35/40/819743540.db2.gz XSHCVXKPCBRTHK-GOEBONIOSA-N 2 1 270.376 3.007 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237395564 819743544 /nfs/dbraw/zinc/74/35/44/819743544.db2.gz XSHCVXKPCBRTHK-GOEBONIOSA-N 2 1 270.376 3.007 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237394810 819744266 /nfs/dbraw/zinc/74/42/66/819744266.db2.gz VXGZRMPVLGYBGH-WMZOPIPTSA-N 2 1 270.420 3.138 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CCSCC3)cc21 ZINC001237876658 819866251 /nfs/dbraw/zinc/86/62/51/819866251.db2.gz GZPIRYICMYICKT-UHFFFAOYSA-N 2 1 288.460 3.237 20 0 CGADMP COc1cccc(CC[N@@H+](C)Cc2cccc3c[nH+]cn32)c1 ZINC001238119400 819939104 /nfs/dbraw/zinc/93/91/04/819939104.db2.gz NXYXOBJHEQSSSL-UHFFFAOYSA-N 2 1 295.386 3.017 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(OC(C)C)c1 ZINC001238461963 820011772 /nfs/dbraw/zinc/01/17/72/820011772.db2.gz CUTJBRNLOXSUIN-UHFFFAOYSA-N 2 1 296.430 3.387 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(OC(C)C)c1 ZINC001238461963 820011782 /nfs/dbraw/zinc/01/17/82/820011782.db2.gz CUTJBRNLOXSUIN-UHFFFAOYSA-N 2 1 296.430 3.387 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001238682817 820083281 /nfs/dbraw/zinc/08/32/81/820083281.db2.gz PHPONOONTLUORL-KRWDZBQOSA-N 2 1 290.476 3.245 20 0 CGADMP CSc1cc(C)cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001238682817 820083292 /nfs/dbraw/zinc/08/32/92/820083292.db2.gz PHPONOONTLUORL-KRWDZBQOSA-N 2 1 290.476 3.245 20 0 CGADMP CSc1cc(C)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001238682817 820083301 /nfs/dbraw/zinc/08/33/01/820083301.db2.gz PHPONOONTLUORL-KRWDZBQOSA-N 2 1 290.476 3.245 20 0 CGADMP COc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C)c1 ZINC001239826030 820642912 /nfs/dbraw/zinc/64/29/12/820642912.db2.gz JICWYFMNUAKMAB-UHFFFAOYSA-N 2 1 293.370 3.005 20 0 CGADMP Cc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(F)c1F ZINC001242030062 822293359 /nfs/dbraw/zinc/29/33/59/822293359.db2.gz YIUOPLHFWLJNHP-UHFFFAOYSA-N 2 1 299.324 3.275 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccnc1 ZINC001342390043 936466285 /nfs/dbraw/zinc/46/62/85/936466285.db2.gz OEYYHPSPNVYPSC-NVXWUHKLSA-N 2 1 275.440 3.244 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC001342997761 936486378 /nfs/dbraw/zinc/48/63/78/936486378.db2.gz FOGRLOCNZUJWHL-CYBMUJFWSA-N 2 1 280.378 3.287 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001474555817 937866957 /nfs/dbraw/zinc/86/69/57/937866957.db2.gz BDIIMUDIQZXSCQ-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001474555817 937866959 /nfs/dbraw/zinc/86/69/59/937866959.db2.gz BDIIMUDIQZXSCQ-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC001348852750 936936687 /nfs/dbraw/zinc/93/66/87/936936687.db2.gz OMTYPVAUAVUJAT-IUCAKERBSA-N 2 1 291.258 3.159 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001355240291 937131925 /nfs/dbraw/zinc/13/19/25/937131925.db2.gz ZGBFRKIAXXQZAE-FRRDWIJNSA-N 2 1 280.378 3.285 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001355240291 937131928 /nfs/dbraw/zinc/13/19/28/937131928.db2.gz ZGBFRKIAXXQZAE-FRRDWIJNSA-N 2 1 280.378 3.285 20 0 CGADMP CCCC[N@@H+](C[C@@H](O)CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001460549574 937534862 /nfs/dbraw/zinc/53/48/62/937534862.db2.gz XDIOQMUKIZQLRY-HNNXBMFYSA-N 2 1 284.488 3.169 20 0 CGADMP CCCc1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC001460657898 937538528 /nfs/dbraw/zinc/53/85/28/937538528.db2.gz ZDMIKZLXYQMQEZ-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC001460657898 937538531 /nfs/dbraw/zinc/53/85/31/937538531.db2.gz ZDMIKZLXYQMQEZ-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC001460657898 937538532 /nfs/dbraw/zinc/53/85/32/937538532.db2.gz ZDMIKZLXYQMQEZ-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC001460657898 937538534 /nfs/dbraw/zinc/53/85/34/937538534.db2.gz ZDMIKZLXYQMQEZ-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC001460657898 937538536 /nfs/dbraw/zinc/53/85/36/937538536.db2.gz ZDMIKZLXYQMQEZ-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001460708341 937541164 /nfs/dbraw/zinc/54/11/64/937541164.db2.gz KKRCHHFIDYDFAN-BEFAXECRSA-N 2 1 293.414 3.280 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC001460701885 937541297 /nfs/dbraw/zinc/54/12/97/937541297.db2.gz BQVCNXHWMXFVAH-IKGGRYGDSA-N 2 1 287.451 3.418 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)[C@H]2C1 ZINC001461826096 937599657 /nfs/dbraw/zinc/59/96/57/937599657.db2.gz CXHXFGDHBBQRMM-UJCHZGTJSA-N 2 1 299.462 3.038 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CCCc2ccc(F)c(F)c2)CC1 ZINC001461980746 937610903 /nfs/dbraw/zinc/61/09/03/937610903.db2.gz WAAFANOPZQJNGM-UHFFFAOYSA-N 2 1 296.405 3.360 20 0 CGADMP Cc1ccc(CC[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC001462330457 937633335 /nfs/dbraw/zinc/63/33/35/937633335.db2.gz YZNLPUSPPAZMOO-SFHVURJKSA-N 2 1 274.452 3.167 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)CC1 ZINC001462371164 937635978 /nfs/dbraw/zinc/63/59/78/937635978.db2.gz BAMNSVFCIHUOSF-IAGOWNOFSA-N 2 1 278.484 3.476 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011947 933034363 /nfs/dbraw/zinc/03/43/63/933034363.db2.gz UPJGWCHZKJWWLN-HKUYNNGSSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011947 933034367 /nfs/dbraw/zinc/03/43/67/933034367.db2.gz UPJGWCHZKJWWLN-HKUYNNGSSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011947 933034370 /nfs/dbraw/zinc/03/43/70/933034370.db2.gz UPJGWCHZKJWWLN-HKUYNNGSSA-N 2 1 280.415 3.366 20 0 CGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCC1CC1)C2 ZINC001308056810 933041443 /nfs/dbraw/zinc/04/14/43/933041443.db2.gz OLIIKJHUAAMZQN-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCC1CC1)C2 ZINC001308056810 933041449 /nfs/dbraw/zinc/04/14/49/933041449.db2.gz OLIIKJHUAAMZQN-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@]12C[NH+](CCC3CC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001308056810 933041450 /nfs/dbraw/zinc/04/14/50/933041450.db2.gz OLIIKJHUAAMZQN-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@]12C[NH+](CCC3CC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001308056810 933041455 /nfs/dbraw/zinc/04/14/55/933041455.db2.gz OLIIKJHUAAMZQN-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308121151 933053751 /nfs/dbraw/zinc/05/37/51/933053751.db2.gz OPFMFNNRPWJKLA-AEFFLSMTSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308121151 933053756 /nfs/dbraw/zinc/05/37/56/933053756.db2.gz OPFMFNNRPWJKLA-AEFFLSMTSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308121151 933053759 /nfs/dbraw/zinc/05/37/59/933053759.db2.gz OPFMFNNRPWJKLA-AEFFLSMTSA-N 2 1 272.436 3.194 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)ccc1Cl ZINC001308195713 933070689 /nfs/dbraw/zinc/07/06/89/933070689.db2.gz VDACWPIMLAIZEH-UHFFFAOYSA-N 2 1 268.832 3.468 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+](C)C(C)C)ccc1Cl ZINC001308195713 933070691 /nfs/dbraw/zinc/07/06/91/933070691.db2.gz VDACWPIMLAIZEH-UHFFFAOYSA-N 2 1 268.832 3.468 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001308209915 933073055 /nfs/dbraw/zinc/07/30/55/933073055.db2.gz XAXMCQHDYZYXMW-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001462670023 937658523 /nfs/dbraw/zinc/65/85/23/937658523.db2.gz PGORSIXYBOFRGR-MROQNXINSA-N 2 1 278.362 3.037 20 0 CGADMP C[N@@H+](CCCc1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC001308586517 933137584 /nfs/dbraw/zinc/13/75/84/933137584.db2.gz YTKTYKMQUDSCDF-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP C[NH+](CCCc1ccc(F)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001308586517 933137588 /nfs/dbraw/zinc/13/75/88/933137588.db2.gz YTKTYKMQUDSCDF-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP C[NH+](CCCc1ccc(F)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001308586517 933137592 /nfs/dbraw/zinc/13/75/92/933137592.db2.gz YTKTYKMQUDSCDF-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP CC(C)C1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC001308609379 933141166 /nfs/dbraw/zinc/14/11/66/933141166.db2.gz BKCDFPQKGSEKGR-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3cc(F)cc(C)c3C2)CC1 ZINC001308714109 933162971 /nfs/dbraw/zinc/16/29/71/933162971.db2.gz DPNLFYGRUHAITJ-UHFFFAOYSA-N 2 1 290.426 3.224 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC001308750171 933170372 /nfs/dbraw/zinc/17/03/72/933170372.db2.gz JNJVMAFLXUZANU-IKGGRYGDSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC001308750171 933170377 /nfs/dbraw/zinc/17/03/77/933170377.db2.gz JNJVMAFLXUZANU-IKGGRYGDSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@@H+](CCCN[C@@H]1CCC[NH+](CC)C1)C1CCCCC1 ZINC001308852184 933190171 /nfs/dbraw/zinc/19/01/71/933190171.db2.gz OIEMIJVPFKYDAW-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP CC[NH+](CCCN[C@@H]1CCC[N@H+](CC)C1)C1CCCCC1 ZINC001308852184 933190175 /nfs/dbraw/zinc/19/01/75/933190175.db2.gz OIEMIJVPFKYDAW-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP CC[NH+](CCCN[C@@H]1CCC[N@@H+](CC)C1)C1CCCCC1 ZINC001308852184 933190176 /nfs/dbraw/zinc/19/01/76/933190176.db2.gz OIEMIJVPFKYDAW-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP Cc1ccc(CC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001308882879 933196335 /nfs/dbraw/zinc/19/63/35/933196335.db2.gz BOBWRYNBYAHPGN-LJQANCHMSA-N 2 1 286.463 3.249 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc2c1NCCC2 ZINC001308986654 933223159 /nfs/dbraw/zinc/22/31/59/933223159.db2.gz CBZBBISUVPFFCE-OAHLLOKOSA-N 2 1 289.467 3.255 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001319127593 933830349 /nfs/dbraw/zinc/83/03/49/933830349.db2.gz KCURFJCSHVZILH-CABCVRRESA-N 2 1 281.403 3.004 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001319281829 933853070 /nfs/dbraw/zinc/85/30/70/933853070.db2.gz CVCBYWAGMHMWHI-SZMVWBNQSA-N 2 1 272.436 3.142 20 0 CGADMP Cc1c[nH+]c2ccccc2c1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC001319656107 933909099 /nfs/dbraw/zinc/90/90/99/933909099.db2.gz XBONZCMVMVTAQE-OAHLLOKOSA-N 2 1 283.419 3.107 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC001320527453 934061661 /nfs/dbraw/zinc/06/16/61/934061661.db2.gz XFMLXWKMLBVQDJ-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC001320527453 934061671 /nfs/dbraw/zinc/06/16/71/934061671.db2.gz XFMLXWKMLBVQDJ-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC001324849256 934866685 /nfs/dbraw/zinc/86/66/85/934866685.db2.gz XUUFZDMFQFGEKH-PBHICJAKSA-N 2 1 264.457 3.277 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC001325721622 934924436 /nfs/dbraw/zinc/92/44/36/934924436.db2.gz KGYNLQQBNTVJQZ-AAEUAGOBSA-N 2 1 290.407 3.398 20 0 CGADMP CC(C)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001473596441 937812932 /nfs/dbraw/zinc/81/29/32/937812932.db2.gz AWKJKXRWTGRQTP-IYBDPMFKSA-N 2 1 290.451 3.136 20 0 CGADMP CC(C)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001473596441 937812934 /nfs/dbraw/zinc/81/29/34/937812934.db2.gz AWKJKXRWTGRQTP-IYBDPMFKSA-N 2 1 290.451 3.136 20 0 CGADMP C[C@H]([NH2+]CCCCOc1ccccc1)c1c[nH+]ccc1N ZINC001326459211 934980729 /nfs/dbraw/zinc/98/07/29/934980729.db2.gz MMPQGCCVXFXKCC-AWEZNQCLSA-N 2 1 285.391 3.004 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)c(F)c1 ZINC001326758775 935004462 /nfs/dbraw/zinc/00/44/62/935004462.db2.gz YGQLVVBPOOCYAK-LLVKDONJSA-N 2 1 295.789 3.496 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001473596441 937812930 /nfs/dbraw/zinc/81/29/30/937812930.db2.gz AWKJKXRWTGRQTP-IYBDPMFKSA-N 2 1 290.451 3.136 20 0 CGADMP Cc1ccc(NC(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001326905354 935014739 /nfs/dbraw/zinc/01/47/39/935014739.db2.gz KJBOKMREXCUOIQ-OAHLLOKOSA-N 2 1 288.439 3.052 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCCC3(CC[NH2+]CC3)C2)C(C)(C)O1 ZINC001330847380 935328118 /nfs/dbraw/zinc/32/81/18/935328118.db2.gz ZOVBFEQQUAYWEN-OAHLLOKOSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4cc[nH]c43)C[C@@H]2C1 ZINC001333890604 936073890 /nfs/dbraw/zinc/07/38/90/936073890.db2.gz FEJOLQWLZWGBMT-RYQLBKOJSA-N 2 1 297.446 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)cc2)C[C@@H]1C ZINC001335390490 936142996 /nfs/dbraw/zinc/14/29/96/936142996.db2.gz JYOKNBSPCNYTLA-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)cc2)C[C@@H]1C ZINC001335390490 936142999 /nfs/dbraw/zinc/14/29/99/936142999.db2.gz JYOKNBSPCNYTLA-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP C[N@H+]1C[C@]23C[NH+](C[C@@H]4CCC(F)(F)C4)C[C@@]2(C1)CCCC3 ZINC001473901940 937828895 /nfs/dbraw/zinc/82/88/95/937828895.db2.gz OZQNBYGMPQCKTC-OAGGEKHMSA-N 2 1 298.421 3.230 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](SC)C1)[NH+]1CCCC1 ZINC001473926766 937830470 /nfs/dbraw/zinc/83/04/70/937830470.db2.gz HXNFAWDZZVBEJG-RBSFLKMASA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001473974832 937833140 /nfs/dbraw/zinc/83/31/40/937833140.db2.gz NAUGBDWGURAAKC-JQHSSLGASA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001473974832 937833142 /nfs/dbraw/zinc/83/31/42/937833142.db2.gz NAUGBDWGURAAKC-JQHSSLGASA-N 2 1 296.499 3.292 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@H+](C)C1CCCC1 ZINC001473993138 937834232 /nfs/dbraw/zinc/83/42/32/937834232.db2.gz SZAOALNVVHJASN-RDJZCZTQSA-N 2 1 264.457 3.443 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC001473993138 937834234 /nfs/dbraw/zinc/83/42/34/937834234.db2.gz SZAOALNVVHJASN-RDJZCZTQSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)c1ncc(C[NH2+]CC2(C[NH+](C)C)CCCC2)s1 ZINC001474107226 937840590 /nfs/dbraw/zinc/84/05/90/937840590.db2.gz XPMGPGUZFMPTAS-UHFFFAOYSA-N 2 1 295.496 3.478 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@H](C)C[NH+](C)C)oc21 ZINC001474162298 937842485 /nfs/dbraw/zinc/84/24/85/937842485.db2.gz XRCDGMOXYFJQBY-ZDUSSCGKSA-N 2 1 274.408 3.283 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1C[C@@H]1C1CCCC1 ZINC001474301333 937849512 /nfs/dbraw/zinc/84/95/12/937849512.db2.gz JRZXSLBURKFRBS-GDBMZVCRSA-N 2 1 273.424 3.064 20 0 CGADMP CCCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1OC ZINC001474523770 937864756 /nfs/dbraw/zinc/86/47/56/937864756.db2.gz HYNJTCLOOYZCCR-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)c1 ZINC001474557982 937866743 /nfs/dbraw/zinc/86/67/43/937866743.db2.gz OOJAMJZAKUJKRX-HOTGVXAUSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC001474557982 937866744 /nfs/dbraw/zinc/86/67/44/937866744.db2.gz OOJAMJZAKUJKRX-HOTGVXAUSA-N 2 1 262.441 3.244 20 0 CGADMP C[C@H]1CCC[C@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)C1 ZINC001474741345 937878379 /nfs/dbraw/zinc/87/83/79/937878379.db2.gz UGAZPUXZSCBKOF-GJZGRUSLSA-N 2 1 254.462 3.332 20 0 CGADMP C[C@H]([NH2+][C@H]1[C@H](c2ccccc2)C1(C)C)c1c[nH+]ccc1N ZINC001549711815 938158828 /nfs/dbraw/zinc/15/88/28/938158828.db2.gz RENGAMTUXBWKNW-ZLIFDBKOSA-N 2 1 281.403 3.337 20 0 CGADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001550349308 938166106 /nfs/dbraw/zinc/16/61/06/938166106.db2.gz NVBXDYVKEJFOIW-GJZGRUSLSA-N 2 1 294.389 3.109 20 0 CGADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001550349308 938166107 /nfs/dbraw/zinc/16/61/07/938166107.db2.gz NVBXDYVKEJFOIW-GJZGRUSLSA-N 2 1 294.389 3.109 20 0 CGADMP c1coc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001551380877 938180931 /nfs/dbraw/zinc/18/09/31/938180931.db2.gz SCVOWKGZEMTDBD-MLHJIOFPSA-N 2 1 296.414 3.466 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC[NH2+]2)cc1 ZINC001552066229 938189752 /nfs/dbraw/zinc/18/97/52/938189752.db2.gz LKVOKHCFYGHHOX-SFFUCWETSA-N 2 1 270.420 3.258 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001553024681 938195873 /nfs/dbraw/zinc/19/58/73/938195873.db2.gz NPLYIJOLLJRIOH-YESZJQIVSA-N 2 1 270.420 3.115 20 0 CGADMP CC(C)[C@@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC001559688821 938232805 /nfs/dbraw/zinc/23/28/05/938232805.db2.gz DTIAAJSTLHKTJL-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC001559688821 938232806 /nfs/dbraw/zinc/23/28/06/938232806.db2.gz DTIAAJSTLHKTJL-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC001559688821 938232807 /nfs/dbraw/zinc/23/28/07/938232807.db2.gz DTIAAJSTLHKTJL-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CCSCC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001560106599 938244192 /nfs/dbraw/zinc/24/41/92/938244192.db2.gz BJFNVVDTAFHPDC-UHFFFAOYSA-N 2 1 284.513 3.470 20 0 CGADMP Cc1ccc(O[C@@H](C)C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001560354524 938254794 /nfs/dbraw/zinc/25/47/94/938254794.db2.gz SUTLVHGKNCAOBZ-HNNXBMFYSA-N 2 1 299.418 3.013 20 0 CGADMP Cc1cc(C)c(CC[NH2+]Cc2c[nH+]ccc2N(C)C)c(C)c1 ZINC001560410887 938257452 /nfs/dbraw/zinc/25/74/52/938257452.db2.gz NOAYRGQRTPGDFL-UHFFFAOYSA-N 2 1 297.446 3.405 20 0 CGADMP Cc1cc(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC001560500243 938260581 /nfs/dbraw/zinc/26/05/81/938260581.db2.gz HPDWVMUDEGGUGE-KRWDZBQOSA-N 2 1 274.452 3.433 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC001560523833 938261701 /nfs/dbraw/zinc/26/17/01/938261701.db2.gz QCUNHOOPUOEQRD-LSDHHAIUSA-N 2 1 272.502 3.228 20 0 CGADMP C([NH2+]C1CCCC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001560562354 938263211 /nfs/dbraw/zinc/26/32/11/938263211.db2.gz SVDAMNGPFTZRRJ-MRXNPFEDSA-N 2 1 250.430 3.316 20 0 CGADMP C([NH2+]C1CCCC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001560562354 938263213 /nfs/dbraw/zinc/26/32/13/938263213.db2.gz SVDAMNGPFTZRRJ-MRXNPFEDSA-N 2 1 250.430 3.316 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001561053697 938292085 /nfs/dbraw/zinc/29/20/85/938292085.db2.gz YXYFBXAFCBJNAK-NOVWEMISSA-N 2 1 290.426 3.077 20 0 CGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001561052738 938292197 /nfs/dbraw/zinc/29/21/97/938292197.db2.gz KCUQNKIDGUZASR-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC3(CCCC3)C2)CC1 ZINC001258774736 960428227 /nfs/dbraw/zinc/42/82/27/960428227.db2.gz WUSRVDXRVRVPDE-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C(C1CC2(CCC2)C1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001574801579 962322265 /nfs/dbraw/zinc/32/22/65/962322265.db2.gz RQAJSFOCEULGAI-KRWDZBQOSA-N 2 1 262.441 3.032 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC001575421934 962372252 /nfs/dbraw/zinc/37/22/52/962372252.db2.gz CZNYKSGMDGDKPS-MSOLQXFVSA-N 2 1 274.452 3.315 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC001575422432 962372349 /nfs/dbraw/zinc/37/23/49/962372349.db2.gz JDQABPYPPQIMDU-AWDGRILASA-N 2 1 278.484 3.366 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC001575566551 962397893 /nfs/dbraw/zinc/39/78/93/962397893.db2.gz YKQUJGWRHQMNQM-BZUAXINKSA-N 2 1 252.446 3.323 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC001575656484 962410115 /nfs/dbraw/zinc/41/01/15/962410115.db2.gz ZARFOYXKKKSQJP-YOEHRIQHSA-N 2 1 260.425 3.054 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001576104532 962437174 /nfs/dbraw/zinc/43/71/74/962437174.db2.gz ZZOLMBYMYLKNIG-VXGBXAGGSA-N 2 1 258.409 3.267 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576119306 962439805 /nfs/dbraw/zinc/43/98/05/962439805.db2.gz DLGYCTQNIABBNY-PWSUYJOCSA-N 2 1 287.234 3.205 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576119306 962439814 /nfs/dbraw/zinc/43/98/14/962439814.db2.gz DLGYCTQNIABBNY-PWSUYJOCSA-N 2 1 287.234 3.205 20 0 CGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)[NH2+]C1 ZINC001576422174 962456387 /nfs/dbraw/zinc/45/63/87/962456387.db2.gz TYNCVOWWSOLNOI-HZPDHXFCSA-N 2 1 294.483 3.236 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001576435013 962457523 /nfs/dbraw/zinc/45/75/23/962457523.db2.gz NWHFNFRLVLFRTA-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)CCCCCC1 ZINC001576518671 962467617 /nfs/dbraw/zinc/46/76/17/962467617.db2.gz DEVUUZPQMASCOH-LLVKDONJSA-N 2 1 266.351 3.216 20 0 CGADMP C[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC001576800457 962489204 /nfs/dbraw/zinc/48/92/04/962489204.db2.gz IXXIORBHMSCCAZ-GOEBONIOSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@@H]1C[NH3+] ZINC001576806482 962495188 /nfs/dbraw/zinc/49/51/88/962495188.db2.gz FHNPATJIKICRBH-NVXWUHKLSA-N 2 1 298.430 3.135 20 0 CGADMP CC[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H]1C ZINC001577262602 962520358 /nfs/dbraw/zinc/52/03/58/962520358.db2.gz KAFHAMZVVYOQNQ-VXGBXAGGSA-N 2 1 264.438 3.014 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CCCC[NH2+]C1 ZINC001578489344 962593368 /nfs/dbraw/zinc/59/33/68/962593368.db2.gz IOERIGSHKFMMSB-ZDUSSCGKSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CCCC[NH2+]C1 ZINC001578489344 962593393 /nfs/dbraw/zinc/59/33/93/962593393.db2.gz IOERIGSHKFMMSB-ZDUSSCGKSA-N 2 1 284.806 3.301 20 0 CGADMP COCCC1(C[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)CCCCC1 ZINC001579007480 962608661 /nfs/dbraw/zinc/60/86/61/962608661.db2.gz UXZCVPOVZFBMIB-MRXNPFEDSA-N 2 1 296.499 3.341 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(F)c1 ZINC001579697026 962658121 /nfs/dbraw/zinc/65/81/21/962658121.db2.gz SOYLZWXZKIHHFJ-AWEZNQCLSA-N 2 1 264.388 3.002 20 0 CGADMP Cc1cccc(C2=CC[N@@H+](CCC3C[NH2+]C3)CC2)c1C ZINC001579756918 962671702 /nfs/dbraw/zinc/67/17/02/962671702.db2.gz NSPLOVVELSLYBC-UHFFFAOYSA-N 2 1 270.420 3.002 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@]1(C[NH3+])CCCC[C@H]1C ZINC001579754885 962671919 /nfs/dbraw/zinc/67/19/19/962671919.db2.gz LTEJFDJFCIRXIR-WBVHZDCISA-N 2 1 260.425 3.301 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC001579927649 962681751 /nfs/dbraw/zinc/68/17/51/962681751.db2.gz XQDDEQVDHKRFPM-UHFFFAOYSA-N 2 1 264.413 3.117 20 0 CGADMP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001580033349 962689819 /nfs/dbraw/zinc/68/98/19/962689819.db2.gz JKISZAXNDIDOSN-DLBZAZTESA-N 2 1 288.410 3.147 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2CCC3)C1 ZINC000651647117 398261368 /nfs/dbraw/zinc/26/13/68/398261368.db2.gz BCMDWHVQDBELLA-KRWDZBQOSA-N 2 1 298.474 3.339 20 0 CGADMP C[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](C)C3)cc2)C1 ZINC000337703509 214227046 /nfs/dbraw/zinc/22/70/46/214227046.db2.gz YLYZBAQYPFCJBO-HOTGVXAUSA-N 2 1 272.436 3.370 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000651692760 398270422 /nfs/dbraw/zinc/27/04/22/398270422.db2.gz QPHHKZLOSJOATN-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000651692760 398270424 /nfs/dbraw/zinc/27/04/24/398270424.db2.gz QPHHKZLOSJOATN-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000621784056 349586182 /nfs/dbraw/zinc/58/61/82/349586182.db2.gz JAKGDHXLGATLDG-RLCCDNCMSA-N 2 1 276.811 3.141 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000621784056 349586185 /nfs/dbraw/zinc/58/61/85/349586185.db2.gz JAKGDHXLGATLDG-RLCCDNCMSA-N 2 1 276.811 3.141 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@]2(C)CC)C1 ZINC000651685973 398268986 /nfs/dbraw/zinc/26/89/86/398268986.db2.gz LFTHRPVHXGENLU-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000337756684 214248044 /nfs/dbraw/zinc/24/80/44/214248044.db2.gz MFVGZRKPBSDURA-IBGZPJMESA-N 2 1 282.431 3.443 20 0 CGADMP Cc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000096971163 185144629 /nfs/dbraw/zinc/14/46/29/185144629.db2.gz DEZKXVHUHBQOSC-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000096971163 185144630 /nfs/dbraw/zinc/14/46/30/185144630.db2.gz DEZKXVHUHBQOSC-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000096971163 185144632 /nfs/dbraw/zinc/14/46/32/185144632.db2.gz DEZKXVHUHBQOSC-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000651829460 398295094 /nfs/dbraw/zinc/29/50/94/398295094.db2.gz COTGCAAEOVLGRW-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C1CCSCC1 ZINC000651864734 398298046 /nfs/dbraw/zinc/29/80/46/398298046.db2.gz BRMPZXRGBFJGLJ-CQSZACIVSA-N 2 1 272.502 3.086 20 0 CGADMP Cc1sccc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865155 398298286 /nfs/dbraw/zinc/29/82/86/398298286.db2.gz OWUBSJGKMHEYPY-UHFFFAOYSA-N 2 1 254.443 3.124 20 0 CGADMP Cc1sccc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651865155 398298288 /nfs/dbraw/zinc/29/82/88/398298288.db2.gz OWUBSJGKMHEYPY-UHFFFAOYSA-N 2 1 254.443 3.124 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@H]1CCOC1)C1CCCCC1 ZINC000651910492 398304644 /nfs/dbraw/zinc/30/46/44/398304644.db2.gz VXUHXWMGFLZULI-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338014995 214362617 /nfs/dbraw/zinc/36/26/17/214362617.db2.gz IUPNZOPOGXEKKE-ZFWWWQNUSA-N 2 1 251.418 3.386 20 0 CGADMP CC[C@H](F)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000440792855 529435508 /nfs/dbraw/zinc/43/55/08/529435508.db2.gz AZGVJKDBABPUIT-INIZCTEOSA-N 2 1 293.430 3.368 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000590786615 346875841 /nfs/dbraw/zinc/87/58/41/346875841.db2.gz IGZHAGYJGOVSGC-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000148080670 529428013 /nfs/dbraw/zinc/42/80/13/529428013.db2.gz GFJISKISCBQFNK-GOSISDBHSA-N 2 1 274.452 3.329 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322422 529579704 /nfs/dbraw/zinc/57/97/04/529579704.db2.gz FCDKPXPYHXCBLP-FUHWJXTLSA-N 2 1 272.436 3.071 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CCCC1 ZINC000449071201 529610249 /nfs/dbraw/zinc/61/02/49/529610249.db2.gz GPGZVAGCLBILDL-CJNGLKHVSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449087611 282206230 /nfs/dbraw/zinc/20/62/30/282206230.db2.gz GONASADNMTUSDX-FMKPAKJESA-N 2 1 263.429 3.386 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]CCc1c[nH+]cn1C ZINC000623086179 349757741 /nfs/dbraw/zinc/75/77/41/349757741.db2.gz AGVCKSLUPBBFNF-AWEZNQCLSA-N 2 1 251.418 3.159 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000268779580 282209780 /nfs/dbraw/zinc/20/97/80/282209780.db2.gz BRSHWFJPKJWHRJ-INIZCTEOSA-N 2 1 269.392 3.204 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(F)cn1 ZINC000414188115 529630207 /nfs/dbraw/zinc/63/02/07/529630207.db2.gz QEIVWDVJPDDBAV-HNNXBMFYSA-N 2 1 284.338 3.109 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1C[C@H]1C ZINC000414109468 529613593 /nfs/dbraw/zinc/61/35/93/529613593.db2.gz HHNMYGJKCLLKCA-UGUYLWEFSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623361791 349789393 /nfs/dbraw/zinc/78/93/93/349789393.db2.gz PQLIRLXMZWQNIJ-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623361791 349789395 /nfs/dbraw/zinc/78/93/95/349789395.db2.gz PQLIRLXMZWQNIJ-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)CC1(C)C ZINC000623350725 349786283 /nfs/dbraw/zinc/78/62/83/349786283.db2.gz QNMCOMPKKYRQCW-INIZCTEOSA-N 2 1 272.436 3.181 20 0 CGADMP CC1CCC(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623374865 349793389 /nfs/dbraw/zinc/79/33/89/349793389.db2.gz SRTJNDVHUIKBAL-NRXISQOPSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000623408167 349800726 /nfs/dbraw/zinc/80/07/26/349800726.db2.gz LJACIHKCWNNYIQ-GOEBONIOSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000623408167 349800728 /nfs/dbraw/zinc/80/07/28/349800728.db2.gz LJACIHKCWNNYIQ-GOEBONIOSA-N 2 1 276.399 3.275 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405859 349801027 /nfs/dbraw/zinc/80/10/27/349801027.db2.gz AQBQVNFBKDQBPQ-RHSMWYFYSA-N 2 1 272.436 3.445 20 0 CGADMP COc1ccc(C2(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000623412678 349801658 /nfs/dbraw/zinc/80/16/58/349801658.db2.gz WNFVBSHXEAPXJG-OAHLLOKOSA-N 2 1 288.435 3.147 20 0 CGADMP COc1ccc(C2([NH2+][C@@H]3CCN(C)C(C)(C)C3)CC2)cc1 ZINC000623412678 349801659 /nfs/dbraw/zinc/80/16/59/349801659.db2.gz WNFVBSHXEAPXJG-OAHLLOKOSA-N 2 1 288.435 3.147 20 0 CGADMP COc1ccc(C2([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000623412678 349801661 /nfs/dbraw/zinc/80/16/61/349801661.db2.gz WNFVBSHXEAPXJG-OAHLLOKOSA-N 2 1 288.435 3.147 20 0 CGADMP COc1ccc(C2([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000623412678 349801663 /nfs/dbraw/zinc/80/16/63/349801663.db2.gz WNFVBSHXEAPXJG-OAHLLOKOSA-N 2 1 288.435 3.147 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)CC1(C)C ZINC000623412946 349801890 /nfs/dbraw/zinc/80/18/90/349801890.db2.gz FCLBNEPSANDYJS-CVEARBPZSA-N 2 1 272.436 3.179 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623425331 349805528 /nfs/dbraw/zinc/80/55/28/349805528.db2.gz YHLUVYAXQWCESI-QGZVFWFLSA-N 2 1 274.452 3.254 20 0 CGADMP CCO[C@@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623439155 349809921 /nfs/dbraw/zinc/80/99/21/349809921.db2.gz XZIOLXZZNFAXKU-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1(C)C ZINC000623514617 349825130 /nfs/dbraw/zinc/82/51/30/349825130.db2.gz VIZVLCBBRGXGLM-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623516354 349825364 /nfs/dbraw/zinc/82/53/64/349825364.db2.gz ONQAHAVMOIQEGH-FZKCQIBNSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCCCC2)CC1(C)C ZINC000623539550 349829443 /nfs/dbraw/zinc/82/94/43/349829443.db2.gz UBAPTMSXYFHYPH-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@H]2C2CC2)CC1(C)C ZINC000623549150 349830956 /nfs/dbraw/zinc/83/09/56/349830956.db2.gz RTCPMYROHSSHNA-PMPSAXMXSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C[C@H]1c1ccccc1 ZINC000334978654 529806356 /nfs/dbraw/zinc/80/63/56/529806356.db2.gz HGARMCFUZYLAOU-IRXDYDNUSA-N 2 1 258.409 3.354 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCCC2)C[C@H]1c1ccccc1 ZINC000334978654 529806358 /nfs/dbraw/zinc/80/63/58/529806358.db2.gz HGARMCFUZYLAOU-IRXDYDNUSA-N 2 1 258.409 3.354 20 0 CGADMP Cc1ccc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)[nH]c2c1 ZINC000623657439 349859727 /nfs/dbraw/zinc/85/97/27/349859727.db2.gz QULHTZVCZMLKAC-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000623649340 349855530 /nfs/dbraw/zinc/85/55/30/349855530.db2.gz RKKPYOVECBEJHO-HNNXBMFYSA-N 2 1 289.467 3.130 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1F ZINC000623657222 349857878 /nfs/dbraw/zinc/85/78/78/349857878.db2.gz LOPFFKTZJMZVCV-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1F ZINC000623657222 349857881 /nfs/dbraw/zinc/85/78/81/349857881.db2.gz LOPFFKTZJMZVCV-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc2cccnc12 ZINC000623657299 349857983 /nfs/dbraw/zinc/85/79/83/349857983.db2.gz MYSAVNZJAJMBJM-MRXNPFEDSA-N 2 1 297.446 3.365 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCCO2)c1 ZINC000623887682 349905581 /nfs/dbraw/zinc/90/55/81/349905581.db2.gz KCALSGQWHAIDLU-CRAIPNDOSA-N 2 1 290.451 3.186 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000423279952 529986271 /nfs/dbraw/zinc/98/62/71/529986271.db2.gz TVAVRGPULNMOCJ-NXEZZACHSA-N 2 1 275.223 3.500 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000034429805 344939742 /nfs/dbraw/zinc/93/97/42/344939742.db2.gz RBXXJIZKPRAZQT-INIZCTEOSA-N 2 1 276.424 3.036 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000044533483 345013064 /nfs/dbraw/zinc/01/30/64/345013064.db2.gz IQGPVHSGKMRBTG-BZOOQXSSSA-N 2 1 276.399 3.003 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000070170849 345388902 /nfs/dbraw/zinc/38/89/02/345388902.db2.gz WYJWYUGUSINQBQ-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP C[NH+](C)[C@H](CNc1cc[nH+]c2ccsc21)C1CC1 ZINC000091481559 345816399 /nfs/dbraw/zinc/81/63/99/345816399.db2.gz LVWYWCHAAQEISV-CYBMUJFWSA-N 2 1 261.394 3.048 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214393 345766742 /nfs/dbraw/zinc/76/67/42/345766742.db2.gz KBNKXRYRKOPTLY-OAUYIBNBSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214393 345766743 /nfs/dbraw/zinc/76/67/43/345766743.db2.gz KBNKXRYRKOPTLY-OAUYIBNBSA-N 2 1 276.399 3.133 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090234349 345785884 /nfs/dbraw/zinc/78/58/84/345785884.db2.gz WTUQQCQLGXQRGF-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc2c(c1)CC(CC[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000090853721 345796547 /nfs/dbraw/zinc/79/65/47/345796547.db2.gz SBVYKSZHYVZYSQ-RBUKOAKNSA-N 2 1 284.447 3.008 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000092739337 345855066 /nfs/dbraw/zinc/85/50/66/345855066.db2.gz BWTZRLYDVVKUSC-CABCVRRESA-N 2 1 293.430 3.383 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093742205 345886849 /nfs/dbraw/zinc/88/68/49/345886849.db2.gz FUAAJCGOLWXDKH-YTQUADARSA-N 2 1 286.463 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093742205 345886850 /nfs/dbraw/zinc/88/68/50/345886850.db2.gz FUAAJCGOLWXDKH-YTQUADARSA-N 2 1 286.463 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093742205 345886851 /nfs/dbraw/zinc/88/68/51/345886851.db2.gz FUAAJCGOLWXDKH-YTQUADARSA-N 2 1 286.463 3.454 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC000124752167 346013795 /nfs/dbraw/zinc/01/37/95/346013795.db2.gz WCIXDIZLKAHEAS-AWEZNQCLSA-N 2 1 256.393 3.442 20 0 CGADMP CC[C@H](C)[NH2+][C@@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000165997450 346185612 /nfs/dbraw/zinc/18/56/12/346185612.db2.gz HZQYVYAXQZSILW-RDJZCZTQSA-N 2 1 278.440 3.084 20 0 CGADMP CC[C@H](C)[NH2+][C@@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000165997450 346185615 /nfs/dbraw/zinc/18/56/15/346185615.db2.gz HZQYVYAXQZSILW-RDJZCZTQSA-N 2 1 278.440 3.084 20 0 CGADMP CC1(C)CCC[C@H]1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624027428 349950060 /nfs/dbraw/zinc/95/00/60/349950060.db2.gz UCDCKCSQQMYWEE-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP CCOC1CC(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000351722128 219187835 /nfs/dbraw/zinc/18/78/35/219187835.db2.gz VBKNOUMAEPDPLN-JBCIKUTRSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000624068195 349961992 /nfs/dbraw/zinc/96/19/92/349961992.db2.gz OIMODYGOQWPZMI-QMCVQRASSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000624068195 349961995 /nfs/dbraw/zinc/96/19/95/349961995.db2.gz OIMODYGOQWPZMI-QMCVQRASSA-N 2 1 272.436 3.251 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000313404742 346479807 /nfs/dbraw/zinc/47/98/07/346479807.db2.gz ZDCIULKFPUPILR-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000388747290 346570979 /nfs/dbraw/zinc/57/09/79/346570979.db2.gz JXQIUGGKUTXEGH-CVEARBPZSA-N 2 1 262.441 3.326 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000388747290 346570984 /nfs/dbraw/zinc/57/09/84/346570984.db2.gz JXQIUGGKUTXEGH-CVEARBPZSA-N 2 1 262.441 3.326 20 0 CGADMP C[C@H](CSCCF)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000595014724 347257227 /nfs/dbraw/zinc/25/72/27/347257227.db2.gz SKAVPILOGBOZDH-LSDHHAIUSA-N 2 1 290.492 3.179 20 0 CGADMP Cc1[nH+]ccn1CCCCN(C)CC[NH+](C(C)C)C(C)C ZINC000356366669 232754102 /nfs/dbraw/zinc/75/41/02/232754102.db2.gz LJBUFTIVDNXFOJ-UHFFFAOYSA-N 2 1 294.487 3.022 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000351863690 219230743 /nfs/dbraw/zinc/23/07/43/219230743.db2.gz UOHLYVPLCHOTFW-DOTOQJQBSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120507 349976949 /nfs/dbraw/zinc/97/69/49/349976949.db2.gz ARIKGBPBVVKPEL-DZGCQCFKSA-N 2 1 266.454 3.001 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000624120545 349977251 /nfs/dbraw/zinc/97/72/51/349977251.db2.gz BLUWSAKSZCLRES-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CSCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602498353 347969972 /nfs/dbraw/zinc/96/99/72/347969972.db2.gz ISCWNCDJEOQVBD-DOTOQJQBSA-N 2 1 290.476 3.307 20 0 CGADMP CSCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602498353 347969977 /nfs/dbraw/zinc/96/99/77/347969977.db2.gz ISCWNCDJEOQVBD-DOTOQJQBSA-N 2 1 290.476 3.307 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000624120770 349979106 /nfs/dbraw/zinc/97/91/06/349979106.db2.gz GTANMWCTAKSQNS-YJBOKZPZSA-N 2 1 290.451 3.468 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624121811 349980225 /nfs/dbraw/zinc/98/02/25/349980225.db2.gz DIXHVDUZOUESIS-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624121811 349980230 /nfs/dbraw/zinc/98/02/30/349980230.db2.gz DIXHVDUZOUESIS-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000624122111 349979861 /nfs/dbraw/zinc/97/98/61/349979861.db2.gz JXVHOIUWXXTTRB-WBVHZDCISA-N 2 1 288.435 3.222 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624121788 349979868 /nfs/dbraw/zinc/97/98/68/349979868.db2.gz CXGOKBJIYDUMJF-RDJZCZTQSA-N 2 1 275.440 3.244 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000624121547 349980162 /nfs/dbraw/zinc/98/01/62/349980162.db2.gz XUIAHKYOGOYFIR-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121169 349978244 /nfs/dbraw/zinc/97/82/44/349978244.db2.gz PNEACBRZEAPQIL-IIDMSEBBSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(F)c1F ZINC000624122288 349981205 /nfs/dbraw/zinc/98/12/05/349981205.db2.gz NRPRYELHUQLGHV-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000624122288 349981208 /nfs/dbraw/zinc/98/12/08/349981208.db2.gz NRPRYELHUQLGHV-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCCC1 ZINC000624123175 349982976 /nfs/dbraw/zinc/98/29/76/349982976.db2.gz HFSOYBSKCQEZOX-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339428658 215160533 /nfs/dbraw/zinc/16/05/33/215160533.db2.gz RRYVBEJZTZHYLL-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339428658 215160536 /nfs/dbraw/zinc/16/05/36/215160536.db2.gz RRYVBEJZTZHYLL-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339428658 215160538 /nfs/dbraw/zinc/16/05/38/215160538.db2.gz RRYVBEJZTZHYLL-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000358039297 233044926 /nfs/dbraw/zinc/04/49/26/233044926.db2.gz ACUKXXRVXXYGNG-LSDHHAIUSA-N 2 1 278.440 3.040 20 0 CGADMP c1c2ccccc2oc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358163628 233069444 /nfs/dbraw/zinc/06/94/44/233069444.db2.gz XFIUVBLHCMKWSO-CVEARBPZSA-N 2 1 284.403 3.192 20 0 CGADMP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCC[C@H](C)C1 ZINC000339643422 215283543 /nfs/dbraw/zinc/28/35/43/215283543.db2.gz HAYKAGAGWDTQQJ-CGTJXYLNSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCC[C@H](C)C1 ZINC000339643422 215283545 /nfs/dbraw/zinc/28/35/45/215283545.db2.gz HAYKAGAGWDTQQJ-CGTJXYLNSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCC[C@H](C)C1 ZINC000339643422 215283548 /nfs/dbraw/zinc/28/35/48/215283548.db2.gz HAYKAGAGWDTQQJ-CGTJXYLNSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCC[C@H](C)C1 ZINC000339643422 215283549 /nfs/dbraw/zinc/28/35/49/215283549.db2.gz HAYKAGAGWDTQQJ-CGTJXYLNSA-N 2 1 296.499 3.122 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000359882915 233388405 /nfs/dbraw/zinc/38/84/05/233388405.db2.gz WIYUHOZZUWHEFT-PBHICJAKSA-N 2 1 284.407 3.060 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000359882915 233388409 /nfs/dbraw/zinc/38/84/09/233388409.db2.gz WIYUHOZZUWHEFT-PBHICJAKSA-N 2 1 284.407 3.060 20 0 CGADMP C/C=C/C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000626164258 350276061 /nfs/dbraw/zinc/27/60/61/350276061.db2.gz ZSEJYGUCYZJHHK-CWDCEQMOSA-N 2 1 261.413 3.260 20 0 CGADMP C/C=C/C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000626164258 350276064 /nfs/dbraw/zinc/27/60/64/350276064.db2.gz ZSEJYGUCYZJHHK-CWDCEQMOSA-N 2 1 261.413 3.260 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000352123502 219327632 /nfs/dbraw/zinc/32/76/32/219327632.db2.gz OOMYJMBHJWQSEC-PMPSAXMXSA-N 2 1 290.451 3.033 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000352123502 219327633 /nfs/dbraw/zinc/32/76/33/219327633.db2.gz OOMYJMBHJWQSEC-PMPSAXMXSA-N 2 1 290.451 3.033 20 0 CGADMP Cc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c(C[NH+](C)C)c1 ZINC000628196754 350436248 /nfs/dbraw/zinc/43/62/48/350436248.db2.gz BJGLDYIKLUTNHH-INIZCTEOSA-N 2 1 289.467 3.341 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@]2(C)CCCS2)CC1 ZINC000628149028 350411953 /nfs/dbraw/zinc/41/19/53/350411953.db2.gz JXIASFZZGOHGNG-OAHLLOKOSA-N 2 1 270.486 3.078 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000628173675 350422052 /nfs/dbraw/zinc/42/20/52/350422052.db2.gz GKTVYWWFHFPAKJ-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC(F)(F)C1 ZINC000628353285 350514186 /nfs/dbraw/zinc/51/41/86/350514186.db2.gz PMLMULMXQRBYDT-OCCSQVGLSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(O)ccc1Cl)CC[NH2+]CC2 ZINC000629539256 350706613 /nfs/dbraw/zinc/70/66/13/350706613.db2.gz PBMZSRDIGBMQMU-LBPRGKRZSA-N 2 1 294.826 3.010 20 0 CGADMP CCc1nc(C(C)C)ccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000629540588 350707416 /nfs/dbraw/zinc/70/74/16/350707416.db2.gz WQUYGHSURMVBSR-RHSMWYFYSA-N 2 1 275.440 3.127 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C[NH2+]1 ZINC000629542867 350708560 /nfs/dbraw/zinc/70/85/60/350708560.db2.gz NUCJWPHUPNISGS-BGTYHANMSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000629550887 350710773 /nfs/dbraw/zinc/71/07/73/350710773.db2.gz PPUYPUDSDLIBHJ-RYUDHWBXSA-N 2 1 278.362 3.229 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000629407686 350689245 /nfs/dbraw/zinc/68/92/45/350689245.db2.gz HYTNBPNKCHMEFF-ZCDTZLGTSA-N 2 1 278.827 3.316 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000629518409 350700584 /nfs/dbraw/zinc/70/05/84/350700584.db2.gz IWZYSOJWYUERPZ-YESZJQIVSA-N 2 1 287.451 3.073 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000629673755 350734440 /nfs/dbraw/zinc/73/44/40/350734440.db2.gz HCNSSIZUWQARIW-XJEJTNKKSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000631579374 351074927 /nfs/dbraw/zinc/07/49/27/351074927.db2.gz FIRGYBLBQRPTJG-JKSUJKDBSA-N 2 1 299.462 3.420 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3ncccc23)C[C@@H]1C[NH3+] ZINC000634687973 351573603 /nfs/dbraw/zinc/57/36/03/351573603.db2.gz DYYWOXNUQYBYDS-FMKPAKJESA-N 2 1 283.419 3.040 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000291583886 198042150 /nfs/dbraw/zinc/04/21/50/198042150.db2.gz PDAOARACWVKZDF-MRXNPFEDSA-N 2 1 277.456 3.033 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000291583886 198042152 /nfs/dbraw/zinc/04/21/52/198042152.db2.gz PDAOARACWVKZDF-MRXNPFEDSA-N 2 1 277.456 3.033 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000123194324 187076877 /nfs/dbraw/zinc/07/68/77/187076877.db2.gz BHSZRSWASLVNEA-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3cccnc32)CC[N@H+]1C ZINC000123194324 187076878 /nfs/dbraw/zinc/07/68/78/187076878.db2.gz BHSZRSWASLVNEA-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3cccnc32)CC[NH+]1C ZINC000123194324 187076879 /nfs/dbraw/zinc/07/68/79/187076879.db2.gz BHSZRSWASLVNEA-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3cccnc32)CC[NH+]1C ZINC000123194324 187076880 /nfs/dbraw/zinc/07/68/80/187076880.db2.gz BHSZRSWASLVNEA-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000123595577 187099925 /nfs/dbraw/zinc/09/99/25/187099925.db2.gz MMYBXNPFKUZAGH-UHFFFAOYSA-N 2 1 260.381 3.158 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292141272 198179326 /nfs/dbraw/zinc/17/93/26/198179326.db2.gz MKSCYZVNZXWXSH-NVXWUHKLSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292141272 198179328 /nfs/dbraw/zinc/17/93/28/198179328.db2.gz MKSCYZVNZXWXSH-NVXWUHKLSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292141272 198179330 /nfs/dbraw/zinc/17/93/30/198179330.db2.gz MKSCYZVNZXWXSH-NVXWUHKLSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000367478257 234219176 /nfs/dbraw/zinc/21/91/76/234219176.db2.gz BCCFNHDRJFCEQD-HNNXBMFYSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000367478257 234219179 /nfs/dbraw/zinc/21/91/79/234219179.db2.gz BCCFNHDRJFCEQD-HNNXBMFYSA-N 2 1 275.440 3.484 20 0 CGADMP C[C@H]1CC([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H](C)C1 ZINC000084468219 290353680 /nfs/dbraw/zinc/35/36/80/290353680.db2.gz LNGWJJLNIBBCPD-CHWSQXEVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000368099583 234281321 /nfs/dbraw/zinc/28/13/21/234281321.db2.gz GFKJXPBKTRMDEI-MDZRGWNJSA-N 2 1 295.430 3.367 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Nc1ccccc1 ZINC000154120460 188124341 /nfs/dbraw/zinc/12/43/41/188124341.db2.gz SHSAOZBTMNQBMO-NJAFHUGGSA-N 2 1 289.467 3.195 20 0 CGADMP Cc1ccncc1CCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000368575221 234323614 /nfs/dbraw/zinc/32/36/14/234323614.db2.gz ITUXSUDTVUKJFW-IBGZPJMESA-N 2 1 296.414 3.396 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000368575221 234323616 /nfs/dbraw/zinc/32/36/16/234323616.db2.gz ITUXSUDTVUKJFW-IBGZPJMESA-N 2 1 296.414 3.396 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)[C@H](C)C1 ZINC000155299875 188196666 /nfs/dbraw/zinc/19/66/66/188196666.db2.gz VIDJQPXWJXOTMT-PBHICJAKSA-N 2 1 290.426 3.177 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000157652803 188331152 /nfs/dbraw/zinc/33/11/52/188331152.db2.gz FXILNUIVLLIVAT-LNRIEFBSSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000157652803 188331153 /nfs/dbraw/zinc/33/11/53/188331153.db2.gz FXILNUIVLLIVAT-LNRIEFBSSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292682043 198374022 /nfs/dbraw/zinc/37/40/22/198374022.db2.gz ATQODMZFQCMWQH-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292682043 198374026 /nfs/dbraw/zinc/37/40/26/198374026.db2.gz ATQODMZFQCMWQH-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292682043 198374028 /nfs/dbraw/zinc/37/40/28/198374028.db2.gz ATQODMZFQCMWQH-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158764938 188392748 /nfs/dbraw/zinc/39/27/48/188392748.db2.gz RHQDHZSOXILJPM-USXIJHARSA-N 2 1 258.409 3.164 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000271829865 191353728 /nfs/dbraw/zinc/35/37/28/191353728.db2.gz DTVYXPKJPAPSMA-MSOLQXFVSA-N 2 1 270.420 3.174 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC000429006326 283106617 /nfs/dbraw/zinc/10/66/17/283106617.db2.gz ZSZAHCYUDKIWLY-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC000429006326 283106618 /nfs/dbraw/zinc/10/66/18/283106618.db2.gz ZSZAHCYUDKIWLY-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC000429006326 283106619 /nfs/dbraw/zinc/10/66/19/283106619.db2.gz ZSZAHCYUDKIWLY-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000414065637 235327780 /nfs/dbraw/zinc/32/77/80/235327780.db2.gz ORHJSYMURWIAGB-CQSZACIVSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000414176012 235355003 /nfs/dbraw/zinc/35/50/03/235355003.db2.gz IUTSQUAMPHBAEQ-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171654 235353216 /nfs/dbraw/zinc/35/32/16/235353216.db2.gz DJNMKZYZXIJIFG-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1occc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000414297133 235382296 /nfs/dbraw/zinc/38/22/96/235382296.db2.gz YIDMBBBKSAXKKE-AWEZNQCLSA-N 2 1 264.413 3.332 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142429 283179496 /nfs/dbraw/zinc/17/94/96/283179496.db2.gz VDLLQYXIYTYWHB-ZJPYXAASSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000119300806 370663618 /nfs/dbraw/zinc/66/36/18/370663618.db2.gz YHRFABHFQWOMAE-CABCVRRESA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000110056327 138362036 /nfs/dbraw/zinc/36/20/36/138362036.db2.gz XWBSZUJZKVHEPP-DLBZAZTESA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000110056327 138362037 /nfs/dbraw/zinc/36/20/37/138362037.db2.gz XWBSZUJZKVHEPP-DLBZAZTESA-N 2 1 288.435 3.190 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000111695548 138364758 /nfs/dbraw/zinc/36/47/58/138364758.db2.gz GCXHJOFCKBBYAK-GOEBONIOSA-N 2 1 268.404 3.399 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCCn1ccnc1C)C1CC1 ZINC000125135599 138379845 /nfs/dbraw/zinc/37/98/45/138379845.db2.gz CZTCKEJVOTVPLG-ZIAGYGMSSA-N 2 1 263.429 3.481 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000125135599 138379846 /nfs/dbraw/zinc/37/98/46/138379846.db2.gz CZTCKEJVOTVPLG-ZIAGYGMSSA-N 2 1 263.429 3.481 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000125135599 138379847 /nfs/dbraw/zinc/37/98/47/138379847.db2.gz CZTCKEJVOTVPLG-ZIAGYGMSSA-N 2 1 263.429 3.481 20 0 CGADMP CCC[C@H](CC)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000125868042 138384486 /nfs/dbraw/zinc/38/44/86/138384486.db2.gz NCWILBMWFFRHIL-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CCOc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422883564 235936865 /nfs/dbraw/zinc/93/68/65/235936865.db2.gz VEBPVOTZZPFFEE-HNAYVOBHSA-N 2 1 298.430 3.133 20 0 CGADMP CCC[N@@H+](CCc1cccs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414760408 283268528 /nfs/dbraw/zinc/26/85/28/283268528.db2.gz YOVFELFBKRDTQP-CABCVRRESA-N 2 1 280.481 3.391 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423317528 236036944 /nfs/dbraw/zinc/03/69/44/236036944.db2.gz CJRYVBHDJZKXIA-YGRLFVJLSA-N 2 1 252.789 3.118 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000423321209 236037631 /nfs/dbraw/zinc/03/76/31/236037631.db2.gz NBFNRNNAQCRZFU-CABCVRRESA-N 2 1 264.800 3.118 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000423377012 236054967 /nfs/dbraw/zinc/05/49/67/236054967.db2.gz VLXUSXCVRYDHJH-RYUDHWBXSA-N 2 1 260.406 3.413 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1C(C)(C)C ZINC000423492225 236086114 /nfs/dbraw/zinc/08/61/14/236086114.db2.gz MGIZHVIZWDLEEE-LSDHHAIUSA-N 2 1 290.451 3.013 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423401537 236063887 /nfs/dbraw/zinc/06/38/87/236063887.db2.gz QZQJXOQIZBARGI-WHOFXGATSA-N 2 1 266.816 3.303 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000424379537 236158888 /nfs/dbraw/zinc/15/88/88/236158888.db2.gz VOODPHLVQRTKSH-HZSPNIEDSA-N 2 1 280.412 3.222 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCCCC1CCOCC1)CC[NH2+]CC2 ZINC000424285248 236142111 /nfs/dbraw/zinc/14/21/11/236142111.db2.gz FQPUNNJGPOGGBF-INIZCTEOSA-N 2 1 294.483 3.047 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CC24CC4)C3)cc1 ZINC000424321240 236148624 /nfs/dbraw/zinc/14/86/24/236148624.db2.gz JZCOKNKBNKZWON-FJIDUMEYSA-N 2 1 282.431 3.324 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccoc32)CC[N@H+]1C ZINC000336221990 213049433 /nfs/dbraw/zinc/04/94/33/213049433.db2.gz CUKPKBNVWFYAHM-DOMZBBRYSA-N 2 1 258.365 3.005 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1cn[nH]c1 ZINC000358367876 299273552 /nfs/dbraw/zinc/27/35/52/299273552.db2.gz LLLZFJBZRNQUJM-KEYYUXOJSA-N 2 1 290.455 3.103 20 0 CGADMP Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000294722770 199152448 /nfs/dbraw/zinc/15/24/48/199152448.db2.gz CQIOBNMEFVEWFD-AYHJJNSGSA-N 2 1 272.436 3.327 20 0 CGADMP Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000294722770 199152450 /nfs/dbraw/zinc/15/24/50/199152450.db2.gz CQIOBNMEFVEWFD-AYHJJNSGSA-N 2 1 272.436 3.327 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000437086773 237244639 /nfs/dbraw/zinc/24/46/39/237244639.db2.gz GWSUZWDQTPLFSM-LULLPPNCSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000437086773 237244650 /nfs/dbraw/zinc/24/46/50/237244650.db2.gz GWSUZWDQTPLFSM-LULLPPNCSA-N 2 1 286.463 3.328 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000341876722 216134601 /nfs/dbraw/zinc/13/46/01/216134601.db2.gz MUGMBLHQNSJKBA-UHFFFAOYSA-N 2 1 275.783 3.124 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000177264160 189040315 /nfs/dbraw/zinc/04/03/15/189040315.db2.gz STLJDAWQPIZGJL-CVEARBPZSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000177264160 189040316 /nfs/dbraw/zinc/04/03/16/189040316.db2.gz STLJDAWQPIZGJL-CVEARBPZSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2ccccc2n1 ZINC000177945129 189080881 /nfs/dbraw/zinc/08/08/81/189080881.db2.gz DOHVNPBIOASQNP-CABCVRRESA-N 2 1 295.430 3.370 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2n1 ZINC000177945129 189080882 /nfs/dbraw/zinc/08/08/82/189080882.db2.gz DOHVNPBIOASQNP-CABCVRRESA-N 2 1 295.430 3.370 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC000178694954 189138246 /nfs/dbraw/zinc/13/82/46/189138246.db2.gz FMYOTVWZWYIYPM-OLZOCXBDSA-N 2 1 275.371 3.318 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000178702849 189139109 /nfs/dbraw/zinc/13/91/09/189139109.db2.gz MHQWXJOGFHSIRN-RHSMWYFYSA-N 2 1 299.418 3.331 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178974280 189159001 /nfs/dbraw/zinc/15/90/01/189159001.db2.gz PFXADUGCTGXJFL-CYBMUJFWSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1ccnc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000439118111 238230469 /nfs/dbraw/zinc/23/04/69/238230469.db2.gz UYQOOCYREIHWLG-HNNXBMFYSA-N 2 1 261.413 3.312 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl ZINC000181181962 189290300 /nfs/dbraw/zinc/29/03/00/189290300.db2.gz ORDXWVOXARXCTR-MGPQQGTHSA-N 2 1 296.842 3.180 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241434 189292033 /nfs/dbraw/zinc/29/20/33/189292033.db2.gz ZRMXOJFHEYAFHJ-IXDOHACOSA-N 2 1 290.451 3.225 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000181509262 189299224 /nfs/dbraw/zinc/29/92/24/189299224.db2.gz PQBMMNHLBFCALC-RDJZCZTQSA-N 2 1 272.436 3.082 20 0 CGADMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000301666281 201124121 /nfs/dbraw/zinc/12/41/21/201124121.db2.gz WTJRNGPCEDYBBL-RDJZCZTQSA-N 2 1 296.418 3.108 20 0 CGADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000301666281 201124125 /nfs/dbraw/zinc/12/41/25/201124125.db2.gz WTJRNGPCEDYBBL-RDJZCZTQSA-N 2 1 296.418 3.108 20 0 CGADMP c1c2cccnc2oc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000449027486 239125061 /nfs/dbraw/zinc/12/50/61/239125061.db2.gz IPICRYAHXCVRCY-HNNXBMFYSA-N 2 1 299.418 3.136 20 0 CGADMP c1c2cccnc2oc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000449027486 239125066 /nfs/dbraw/zinc/12/50/66/239125066.db2.gz IPICRYAHXCVRCY-HNNXBMFYSA-N 2 1 299.418 3.136 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000449084208 239166600 /nfs/dbraw/zinc/16/66/00/239166600.db2.gz WWXVBQGHCIEHSK-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1cccc(CC[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000449132220 239197138 /nfs/dbraw/zinc/19/71/38/239197138.db2.gz SUQXFICOCPODIN-SFHVURJKSA-N 2 1 274.452 3.248 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000335631305 212344744 /nfs/dbraw/zinc/34/47/44/212344744.db2.gz AEGSJWJKCCXGOV-QZTJIDSGSA-N 2 1 295.430 3.056 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120763906 370797868 /nfs/dbraw/zinc/79/78/68/370797868.db2.gz HDXAKZRZDAVNHF-HNNXBMFYSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000120763906 370797872 /nfs/dbraw/zinc/79/78/72/370797872.db2.gz HDXAKZRZDAVNHF-HNNXBMFYSA-N 2 1 264.413 3.046 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000275720014 193113041 /nfs/dbraw/zinc/11/30/41/193113041.db2.gz SLSJQYJFQSEZLN-HLLBOEOZSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000275720014 193113042 /nfs/dbraw/zinc/11/30/42/193113042.db2.gz SLSJQYJFQSEZLN-HLLBOEOZSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000275720014 193113044 /nfs/dbraw/zinc/11/30/44/193113044.db2.gz SLSJQYJFQSEZLN-HLLBOEOZSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000275720014 193113046 /nfs/dbraw/zinc/11/30/46/193113046.db2.gz SLSJQYJFQSEZLN-HLLBOEOZSA-N 2 1 260.425 3.062 20 0 CGADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1ccc(F)cc1Cl ZINC000121101043 370828858 /nfs/dbraw/zinc/82/88/58/370828858.db2.gz IRVGYWMVHNKESA-CQSZACIVSA-N 2 1 284.806 3.395 20 0 CGADMP C[C@H]1C[C@@]1([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000459430507 242105337 /nfs/dbraw/zinc/10/53/37/242105337.db2.gz IVHGPNPFTYGCLF-LRDDRELGSA-N 2 1 289.810 3.141 20 0 CGADMP COc1cccc(Cl)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459722875 242192539 /nfs/dbraw/zinc/19/25/39/242192539.db2.gz CEOUWSQJNPWJMO-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CSc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459739627 242201585 /nfs/dbraw/zinc/20/15/85/242201585.db2.gz SYWDTIJBYLQVLF-OAHLLOKOSA-N 2 1 278.465 3.230 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000459744031 242206341 /nfs/dbraw/zinc/20/63/41/242206341.db2.gz XOUAUOIFPNSWCS-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459782584 242230246 /nfs/dbraw/zinc/23/02/46/242230246.db2.gz MRJGYQOPWHWVFA-FUHWJXTLSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000480197675 243141743 /nfs/dbraw/zinc/14/17/43/243141743.db2.gz NUPAKZMFOZQJJW-FUHWJXTLSA-N 2 1 286.463 3.428 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000481033176 243175723 /nfs/dbraw/zinc/17/57/23/243175723.db2.gz DGUTWAHDQMYMDM-DOTOQJQBSA-N 2 1 290.451 3.151 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000481033176 243175728 /nfs/dbraw/zinc/17/57/28/243175728.db2.gz DGUTWAHDQMYMDM-DOTOQJQBSA-N 2 1 290.451 3.151 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000483805478 243298986 /nfs/dbraw/zinc/29/89/86/243298986.db2.gz IYARMDBUNSBNJF-XJKCOSOUSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C/C=C\c1ccncc1 ZINC000486937076 243382392 /nfs/dbraw/zinc/38/23/92/243382392.db2.gz GRYZYSUMGXKVAE-BQLWYNFJSA-N 2 1 287.451 3.339 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000486990209 243393892 /nfs/dbraw/zinc/39/38/92/243393892.db2.gz PFOMOQFUESAYPY-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000486990209 243393896 /nfs/dbraw/zinc/39/38/96/243393896.db2.gz PFOMOQFUESAYPY-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1cccc(F)c1)Cc1ccccc1 ZINC000019913205 368782004 /nfs/dbraw/zinc/78/20/04/368782004.db2.gz UPGZAVNGKANAPZ-UHFFFAOYSA-N 2 1 286.394 3.437 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019943006 368787973 /nfs/dbraw/zinc/78/79/73/368787973.db2.gz IMXGZJBAHWRZTL-CQSZACIVSA-N 2 1 264.413 3.078 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)CCc1ccco1)[NH+]1CCCC1 ZINC000035451838 369002744 /nfs/dbraw/zinc/00/27/44/369002744.db2.gz ORUQVQFIEUXFQW-WBVHZDCISA-N 2 1 278.440 3.311 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000036908063 369037328 /nfs/dbraw/zinc/03/73/28/369037328.db2.gz SGZXQPCDUADTLV-IOASZLSFSA-N 2 1 280.843 3.201 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000037643954 369093213 /nfs/dbraw/zinc/09/32/13/369093213.db2.gz BVKBRCKFCWOLQC-DZGCQCFKSA-N 2 1 276.449 3.155 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000037644124 369093337 /nfs/dbraw/zinc/09/33/37/369093337.db2.gz RMYFFALFEKTQJE-KBPBESRZSA-N 2 1 278.465 3.401 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037649529 369097253 /nfs/dbraw/zinc/09/72/53/369097253.db2.gz YOULCIPDELZFLV-QWHCGFSZSA-N 2 1 264.438 3.191 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000494923182 244332179 /nfs/dbraw/zinc/33/21/79/244332179.db2.gz LGIVZIHMIGFVNQ-CBBWQLFWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000494923182 244332183 /nfs/dbraw/zinc/33/21/83/244332183.db2.gz LGIVZIHMIGFVNQ-CBBWQLFWSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000049564837 369411105 /nfs/dbraw/zinc/41/11/05/369411105.db2.gz SIERRRWMPGXAOJ-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000049564837 369411111 /nfs/dbraw/zinc/41/11/11/369411111.db2.gz SIERRRWMPGXAOJ-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000065976576 369687189 /nfs/dbraw/zinc/68/71/89/369687189.db2.gz NGIQKBYMCDUXMB-UHFFFAOYSA-N 2 1 283.419 3.212 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000070169721 369786492 /nfs/dbraw/zinc/78/64/92/369786492.db2.gz KCCPZKITPBCPHZ-LBPRGKRZSA-N 2 1 297.240 3.010 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563760 370142761 /nfs/dbraw/zinc/14/27/61/370142761.db2.gz MODHJQCIJMDHTE-OAHLLOKOSA-N 2 1 262.397 3.038 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563760 370142765 /nfs/dbraw/zinc/14/27/65/370142765.db2.gz MODHJQCIJMDHTE-OAHLLOKOSA-N 2 1 262.397 3.038 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597673 370144226 /nfs/dbraw/zinc/14/42/26/370144226.db2.gz XLWJWGRKBYDATR-OAHLLOKOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597673 370144230 /nfs/dbraw/zinc/14/42/30/370144230.db2.gz XLWJWGRKBYDATR-OAHLLOKOSA-N 2 1 276.399 3.052 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2C)CC1 ZINC000109787943 370366091 /nfs/dbraw/zinc/36/60/91/370366091.db2.gz CFZNFFSATLUANG-UHFFFAOYSA-N 2 1 260.425 3.301 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000129767387 370999451 /nfs/dbraw/zinc/99/94/51/370999451.db2.gz UYYZNJFEPUWDCP-MAUKXSAKSA-N 2 1 299.418 3.365 20 0 CGADMP c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130210622 371017891 /nfs/dbraw/zinc/01/78/91/371017891.db2.gz ZDUBVXLMKIJTCO-GZBFAFLISA-N 2 1 276.449 3.342 20 0 CGADMP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130210239 371018675 /nfs/dbraw/zinc/01/86/75/371018675.db2.gz ZDUBVXLMKIJTCO-UMVBOHGHSA-N 2 1 276.449 3.342 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[NH+](CC)CC)CCC2 ZINC000131432459 371107679 /nfs/dbraw/zinc/10/76/79/371107679.db2.gz KDRCGXDPXSZKMD-CYBMUJFWSA-N 2 1 295.496 3.404 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@H](C)C1 ZINC000133025655 371220241 /nfs/dbraw/zinc/22/02/41/371220241.db2.gz JMEWMFWUOFOWLQ-XBVQOTNRSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1cccc2cccnc21 ZINC000136313458 371473144 /nfs/dbraw/zinc/47/31/44/371473144.db2.gz UVUNHXBTSKJXDS-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2cccnc21 ZINC000136313458 371473151 /nfs/dbraw/zinc/47/31/51/371473151.db2.gz UVUNHXBTSKJXDS-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2cccnc21 ZINC000136313458 371473157 /nfs/dbraw/zinc/47/31/57/371473157.db2.gz UVUNHXBTSKJXDS-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000151095569 371568342 /nfs/dbraw/zinc/56/83/42/371568342.db2.gz NCDBLVJTBYRVTA-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087119 371601677 /nfs/dbraw/zinc/60/16/77/371601677.db2.gz PCFAHZQTLQRSQW-HRCADAONSA-N 2 1 298.434 3.006 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(C)CC2)[C@H](C)C1 ZINC000152123072 371675249 /nfs/dbraw/zinc/67/52/49/371675249.db2.gz DZYZUELPXZMHMR-KNIAUWFNSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000151663720 371622330 /nfs/dbraw/zinc/62/23/30/371622330.db2.gz ISQWOCZAIZITSW-HLLBOEOZSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000151663720 371622334 /nfs/dbraw/zinc/62/23/34/371622334.db2.gz ISQWOCZAIZITSW-HLLBOEOZSA-N 3 1 298.434 3.006 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC000421824429 371647934 /nfs/dbraw/zinc/64/79/34/371647934.db2.gz IPIAPZXMNPKAAW-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1F ZINC000153042053 371746111 /nfs/dbraw/zinc/74/61/11/371746111.db2.gz GZWRUEZECHDPNN-GFCCVEGCSA-N 2 1 291.370 3.080 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422764113 371792595 /nfs/dbraw/zinc/79/25/95/371792595.db2.gz JWBNLWBFNZTDLY-IAGOWNOFSA-N 2 1 288.435 3.225 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422766069 371792622 /nfs/dbraw/zinc/79/26/22/371792622.db2.gz RKUNWXVTRXIJNR-KGLIPLIRSA-N 2 1 297.240 3.199 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422764115 371793005 /nfs/dbraw/zinc/79/30/05/371793005.db2.gz JWBNLWBFNZTDLY-SJORKVTESA-N 2 1 288.435 3.225 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cn1 ZINC000353334496 220031541 /nfs/dbraw/zinc/03/15/41/220031541.db2.gz HHMFSYPLFGEGAO-UXLLHSPISA-N 2 1 291.414 3.134 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cn1 ZINC000353334496 220031542 /nfs/dbraw/zinc/03/15/42/220031542.db2.gz HHMFSYPLFGEGAO-UXLLHSPISA-N 2 1 291.414 3.134 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1ccccc1 ZINC000422736105 371775068 /nfs/dbraw/zinc/77/50/68/371775068.db2.gz XFTYNGDQJDLRSC-LPHOPBHVSA-N 2 1 282.431 3.167 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000422748852 371782472 /nfs/dbraw/zinc/78/24/72/371782472.db2.gz WNOKJDWNIUBNTK-KBPBESRZSA-N 2 1 252.789 3.090 20 0 CGADMP C[C@H]([NH2+]CCCn1ccc2ccccc21)c1c[nH+]ccc1N ZINC000422750810 371783817 /nfs/dbraw/zinc/78/38/17/371783817.db2.gz BSTWRDMSJHGCJI-AWEZNQCLSA-N 2 1 294.402 3.190 20 0 CGADMP CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000422820756 371829214 /nfs/dbraw/zinc/82/92/14/371829214.db2.gz SDMGTCOQXWHRGT-JHJVBQTASA-N 2 1 279.453 3.209 20 0 CGADMP C[C@H]([NH2+]CCCCOCc1ccccc1)c1c[nH+]ccc1N ZINC000422836891 371831830 /nfs/dbraw/zinc/83/18/30/371831830.db2.gz KWRVNXIQTDEUSZ-HNNXBMFYSA-N 2 1 299.418 3.142 20 0 CGADMP C[C@@H]([NH2+]CCSCc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000422775004 371798815 /nfs/dbraw/zinc/79/88/15/371798815.db2.gz ZJOOCVLCHPJYLA-CZUORRHYSA-N 2 1 296.455 3.179 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1c[nH+]ccc1N ZINC000422838091 371834731 /nfs/dbraw/zinc/83/47/31/371834731.db2.gz WATZQPHQRMSBRO-CYBMUJFWSA-N 2 1 269.392 3.123 20 0 CGADMP CC(C)CSCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000154181872 371824410 /nfs/dbraw/zinc/82/44/10/371824410.db2.gz STLKPFHLAXXLHN-OAHLLOKOSA-N 2 1 272.502 3.039 20 0 CGADMP Cc1cccc(Oc2ccccc2C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422862210 371845096 /nfs/dbraw/zinc/84/50/96/371845096.db2.gz PIXFGGZFIQPTOB-HNNXBMFYSA-N 2 1 296.414 3.485 20 0 CGADMP CC[C@H](C)[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000154567979 371858078 /nfs/dbraw/zinc/85/80/78/371858078.db2.gz KWDLYTONUAUMFE-INIZCTEOSA-N 2 1 289.467 3.059 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1cccc(C)c1 ZINC000422917917 371868271 /nfs/dbraw/zinc/86/82/71/371868271.db2.gz GDMBGWDNSHJISK-CABCVRRESA-N 2 1 299.418 3.311 20 0 CGADMP CC(C)=CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154722956 371873707 /nfs/dbraw/zinc/87/37/07/371873707.db2.gz DXTQLROPTAGMBT-KRWDZBQOSA-N 2 1 264.457 3.397 20 0 CGADMP C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422932230 371877578 /nfs/dbraw/zinc/87/75/78/371877578.db2.gz FEUWCSKZSBFGKE-FZKQIMNGSA-N 2 1 284.378 3.113 20 0 CGADMP CSCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000154778563 371878432 /nfs/dbraw/zinc/87/84/32/371878432.db2.gz OGLVTIFNYNGDPQ-GFCCVEGCSA-N 2 1 275.421 3.194 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422935188 371879993 /nfs/dbraw/zinc/87/99/93/371879993.db2.gz DHZHMABSOVOEGY-OAHLLOKOSA-N 2 1 299.418 3.231 20 0 CGADMP COc1cc(F)cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423016152 371916758 /nfs/dbraw/zinc/91/67/58/371916758.db2.gz MAZOHRRIPZWLEV-CJNGLKHVSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316523 371961928 /nfs/dbraw/zinc/96/19/28/371961928.db2.gz CPMYGDXIZSTRJQ-RAKGJIHJSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316523 371961929 /nfs/dbraw/zinc/96/19/29/371961929.db2.gz CPMYGDXIZSTRJQ-RAKGJIHJSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316523 371961931 /nfs/dbraw/zinc/96/19/31/371961931.db2.gz CPMYGDXIZSTRJQ-RAKGJIHJSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000290316523 371961933 /nfs/dbraw/zinc/96/19/33/371961933.db2.gz CPMYGDXIZSTRJQ-RAKGJIHJSA-N 2 1 294.389 3.250 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290348604 371969326 /nfs/dbraw/zinc/96/93/26/371969326.db2.gz FXCAECDXHVUQOX-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000290348604 371969329 /nfs/dbraw/zinc/96/93/29/371969329.db2.gz FXCAECDXHVUQOX-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000290348604 371969333 /nfs/dbraw/zinc/96/93/33/371969333.db2.gz FXCAECDXHVUQOX-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290348606 371969454 /nfs/dbraw/zinc/96/94/54/371969454.db2.gz FXCAECDXHVUQOX-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000290348606 371969456 /nfs/dbraw/zinc/96/94/56/371969456.db2.gz FXCAECDXHVUQOX-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000290348606 371969464 /nfs/dbraw/zinc/96/94/64/371969464.db2.gz FXCAECDXHVUQOX-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290348609 371971208 /nfs/dbraw/zinc/97/12/08/371971208.db2.gz FXCAECDXHVUQOX-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000290348609 371971213 /nfs/dbraw/zinc/97/12/13/371971213.db2.gz FXCAECDXHVUQOX-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000290348609 371971218 /nfs/dbraw/zinc/97/12/18/371971218.db2.gz FXCAECDXHVUQOX-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423121756 371977495 /nfs/dbraw/zinc/97/74/95/371977495.db2.gz IVKROSNQGCYVHQ-JYVUQVBGSA-N 2 1 298.352 3.410 20 0 CGADMP C[C@H]([NH2+]CCc1cc2ccccc2s1)[C@H]1CCC[NH2+]1 ZINC000423126577 371978312 /nfs/dbraw/zinc/97/83/12/371978312.db2.gz BAAXLTBTJHANRM-SWLSCSKDSA-N 2 1 274.433 3.174 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)CC1 ZINC000290399410 371980136 /nfs/dbraw/zinc/98/01/36/371980136.db2.gz JGDXTRBGAVPNLE-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CCCC[NH2+]1 ZINC000423129094 371980880 /nfs/dbraw/zinc/98/08/80/371980880.db2.gz WTNZCQHDBAOFAM-BGTYHANMSA-N 2 1 288.435 3.027 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1Cl ZINC000423075040 371950280 /nfs/dbraw/zinc/95/02/80/371950280.db2.gz WDSNTNJQNNOJPK-GFCCVEGCSA-N 2 1 296.842 3.216 20 0 CGADMP Clc1ccccc1C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423196634 372021664 /nfs/dbraw/zinc/02/16/64/372021664.db2.gz VTLPGCUMGGBMGV-GOEBONIOSA-N 2 1 278.827 3.003 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCCCC1)CC2 ZINC000423198533 372023199 /nfs/dbraw/zinc/02/31/99/372023199.db2.gz GKGDLDDCWOSYKE-KRWDZBQOSA-N 2 1 288.435 3.324 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423200395 372024892 /nfs/dbraw/zinc/02/48/92/372024892.db2.gz MDUXNULTAWCOIE-AWEZNQCLSA-N 2 1 285.391 3.134 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423205662 372028285 /nfs/dbraw/zinc/02/82/85/372028285.db2.gz FKQRXADHLUIMJG-XHDPSFHLSA-N 2 1 268.351 3.005 20 0 CGADMP CC1(C)CC[C@H]([NH2+][C@H](C[NH3+])C2CC2)c2ccccc21 ZINC000423275601 372046603 /nfs/dbraw/zinc/04/66/03/372046603.db2.gz LWHKCLHEDGQZKN-JKSUJKDBSA-N 2 1 258.409 3.126 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC000423331663 372052772 /nfs/dbraw/zinc/05/27/72/372052772.db2.gz USIDLFWXQVDXPM-ZIAGYGMSSA-N 2 1 285.218 3.308 20 0 CGADMP Clc1cccc2c1OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355955 372052955 /nfs/dbraw/zinc/05/29/55/372052955.db2.gz GBLAVOYLNDJEOW-IUODEOHRSA-N 2 1 294.826 3.285 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000158152912 372055659 /nfs/dbraw/zinc/05/56/59/372055659.db2.gz IGVBEFSUAWOVST-HIFRSBDPSA-N 2 1 276.424 3.225 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000158152912 372055665 /nfs/dbraw/zinc/05/56/65/372055665.db2.gz IGVBEFSUAWOVST-HIFRSBDPSA-N 2 1 276.424 3.225 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290515007 372007818 /nfs/dbraw/zinc/00/78/18/372007818.db2.gz PUNIKRUQUDUBQB-IDIOJLOMSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290515007 372007824 /nfs/dbraw/zinc/00/78/24/372007824.db2.gz PUNIKRUQUDUBQB-IDIOJLOMSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290515007 372007829 /nfs/dbraw/zinc/00/78/29/372007829.db2.gz PUNIKRUQUDUBQB-IDIOJLOMSA-N 2 1 288.410 3.255 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000423181024 372008633 /nfs/dbraw/zinc/00/86/33/372008633.db2.gz BZFWKOYGFKINQH-UHFFFAOYSA-N 2 1 287.451 3.120 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425363497 372122397 /nfs/dbraw/zinc/12/23/97/372122397.db2.gz WLAZWCDJQGFCTR-DARAHFNDSA-N 2 1 282.497 3.123 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000158276105 372062796 /nfs/dbraw/zinc/06/27/96/372062796.db2.gz SBEHPWBQKMZEOR-IEBWSBKVSA-N 2 1 286.463 3.248 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158662368 372079578 /nfs/dbraw/zinc/07/95/78/372079578.db2.gz AWWZPRWHLPEXMX-AEFFLSMTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158662368 372079583 /nfs/dbraw/zinc/07/95/83/372079583.db2.gz AWWZPRWHLPEXMX-AEFFLSMTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158662368 372079587 /nfs/dbraw/zinc/07/95/87/372079587.db2.gz AWWZPRWHLPEXMX-AEFFLSMTSA-N 2 1 272.436 3.220 20 0 CGADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000424378524 372085788 /nfs/dbraw/zinc/08/57/88/372085788.db2.gz SWORJKZDVHLHAS-ZLKJLUDKSA-N 2 1 282.428 3.468 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000158884788 372088446 /nfs/dbraw/zinc/08/84/46/372088446.db2.gz OCNQVJOUPGPVTC-NZSAHSFTSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000158884788 372088449 /nfs/dbraw/zinc/08/84/49/372088449.db2.gz OCNQVJOUPGPVTC-NZSAHSFTSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000158884788 372088451 /nfs/dbraw/zinc/08/84/51/372088451.db2.gz OCNQVJOUPGPVTC-NZSAHSFTSA-N 2 1 284.447 3.480 20 0 CGADMP CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccn1 ZINC000159002997 372099085 /nfs/dbraw/zinc/09/90/85/372099085.db2.gz UOFLPINBHRSQLD-HOCLYGCPSA-N 2 1 286.423 3.354 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](CC)CC1)CCC2 ZINC000159294519 372127110 /nfs/dbraw/zinc/12/71/10/372127110.db2.gz KHFPILNIHPLOJD-ZDUSSCGKSA-N 2 1 293.480 3.157 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000160970191 372292733 /nfs/dbraw/zinc/29/27/33/372292733.db2.gz BQAFNXCDYIYOIO-IINYFYTJSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000160970191 372292736 /nfs/dbraw/zinc/29/27/36/372292736.db2.gz BQAFNXCDYIYOIO-IINYFYTJSA-N 2 1 270.779 3.051 20 0 CGADMP CCCCC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000429244106 372328433 /nfs/dbraw/zinc/32/84/33/372328433.db2.gz JCEZGAZTDIFYDO-UHFFFAOYSA-N 2 1 251.418 3.348 20 0 CGADMP CCCCC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000429244106 372328437 /nfs/dbraw/zinc/32/84/37/372328437.db2.gz JCEZGAZTDIFYDO-UHFFFAOYSA-N 2 1 251.418 3.348 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000162146970 372376249 /nfs/dbraw/zinc/37/62/49/372376249.db2.gz GVTKLRULEUIVMH-AWEZNQCLSA-N 2 1 266.454 3.097 20 0 CGADMP COc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000293421588 372379437 /nfs/dbraw/zinc/37/94/37/372379437.db2.gz ALBYQWIJJOSMAU-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000293421588 372379445 /nfs/dbraw/zinc/37/94/45/372379445.db2.gz ALBYQWIJJOSMAU-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000162614446 372404942 /nfs/dbraw/zinc/40/49/42/372404942.db2.gz OFYALGFYINZMNR-HNAYVOBHSA-N 2 1 282.431 3.455 20 0 CGADMP Cc1cc(NCCC[N@H+](C)C2CCCCC2)cc[nH+]1 ZINC000162718623 372413765 /nfs/dbraw/zinc/41/37/65/372413765.db2.gz BBPHWTIDAMNPKG-UHFFFAOYSA-N 2 1 261.413 3.457 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000293716500 372459923 /nfs/dbraw/zinc/45/99/23/372459923.db2.gz MHFMGYAXEDYAKL-CYBMUJFWSA-N 2 1 258.409 3.309 20 0 CGADMP Clc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166353998 372572136 /nfs/dbraw/zinc/57/21/36/372572136.db2.gz UFPFOZOLPKNBSO-NWDGAFQWSA-N 2 1 284.856 3.160 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000166549052 372576958 /nfs/dbraw/zinc/57/69/58/372576958.db2.gz WWLCTIWMMIKIHG-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000166557918 372577267 /nfs/dbraw/zinc/57/72/67/372577267.db2.gz TYYFBNJVELJPPZ-BBRMVZONSA-N 2 1 264.388 3.208 20 0 CGADMP c1ccc2c(c1)ccnc2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000168652890 372614398 /nfs/dbraw/zinc/61/43/98/372614398.db2.gz VUXYPJLOSRORIS-CYBMUJFWSA-N 2 1 267.376 3.131 20 0 CGADMP CC1(c2ccccc2)CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000294214110 372615428 /nfs/dbraw/zinc/61/54/28/372615428.db2.gz MWYJQWYEPYWXGS-UHFFFAOYSA-N 2 1 284.447 3.323 20 0 CGADMP CC1(C)CC[N@@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000434715370 372703416 /nfs/dbraw/zinc/70/34/16/372703416.db2.gz YBSTVINQHSDQPH-UHFFFAOYSA-N 2 1 270.486 3.080 20 0 CGADMP COc1ccc2oc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000435448447 372764785 /nfs/dbraw/zinc/76/47/85/372764785.db2.gz WFKSLKDWWYHESR-CQSZACIVSA-N 2 1 288.391 3.015 20 0 CGADMP CC[N@H+](Cc1cc(Cl)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435387952 372755461 /nfs/dbraw/zinc/75/54/61/372755461.db2.gz CHAUJIHGNJYPQN-HNNXBMFYSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1cc(Cl)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435387952 372755468 /nfs/dbraw/zinc/75/54/68/372755468.db2.gz CHAUJIHGNJYPQN-HNNXBMFYSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](C/C=C\c1ccccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435395845 372758854 /nfs/dbraw/zinc/75/88/54/372758854.db2.gz VFWZHUPENRKWCT-NBEHIINDSA-N 2 1 288.435 3.172 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435391818 372759205 /nfs/dbraw/zinc/75/92/05/372759205.db2.gz ULVZVXRVORJAKK-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435398065 372760527 /nfs/dbraw/zinc/76/05/27/372760527.db2.gz MPMGOWIFZKQSHG-QTXGHNMQSA-N 2 1 272.436 3.080 20 0 CGADMP C[NH2+]CCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000435875159 372820852 /nfs/dbraw/zinc/82/08/52/372820852.db2.gz QSELQEUJQUUKGY-UHFFFAOYSA-N 2 1 286.341 3.279 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000435875159 372820861 /nfs/dbraw/zinc/82/08/61/372820861.db2.gz QSELQEUJQUUKGY-UHFFFAOYSA-N 2 1 286.341 3.279 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000353479769 220107717 /nfs/dbraw/zinc/10/77/17/220107717.db2.gz AZQMDHZHBVNMIO-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000353479769 220107721 /nfs/dbraw/zinc/10/77/21/220107721.db2.gz AZQMDHZHBVNMIO-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214954 373055420 /nfs/dbraw/zinc/05/54/20/373055420.db2.gz ZYIAMXFGZPUZGE-IIYDPXPESA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214954 373055427 /nfs/dbraw/zinc/05/54/27/373055427.db2.gz ZYIAMXFGZPUZGE-IIYDPXPESA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214954 373055432 /nfs/dbraw/zinc/05/54/32/373055432.db2.gz ZYIAMXFGZPUZGE-IIYDPXPESA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214954 373055438 /nfs/dbraw/zinc/05/54/38/373055438.db2.gz ZYIAMXFGZPUZGE-IIYDPXPESA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000296214954 373055442 /nfs/dbraw/zinc/05/54/42/373055442.db2.gz ZYIAMXFGZPUZGE-IIYDPXPESA-N 2 1 296.405 3.340 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000442797277 373086380 /nfs/dbraw/zinc/08/63/80/373086380.db2.gz WNUWEDBNSLBGJW-CVEARBPZSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@@H]1C[C@H](N(C)Cc2coc(-c3ccccc3)n2)CC[N@H+]1C ZINC000173527321 373152685 /nfs/dbraw/zinc/15/26/85/373152685.db2.gz YNLNIWRXOOTVKD-RHSMWYFYSA-N 2 1 299.418 3.256 20 0 CGADMP c1cc2cc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2c[nH+]1 ZINC000296665384 373213971 /nfs/dbraw/zinc/21/39/71/373213971.db2.gz XZELEZUDJSXPBW-IRXDYDNUSA-N 2 1 267.376 3.274 20 0 CGADMP CCSCC[C@@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444571332 373202328 /nfs/dbraw/zinc/20/23/28/373202328.db2.gz QHYZJUCZWAMRPK-OAHLLOKOSA-N 2 1 272.502 3.326 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000173886783 373209262 /nfs/dbraw/zinc/20/92/62/373209262.db2.gz YTFQYHGVEUHKPA-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444706992 373245969 /nfs/dbraw/zinc/24/59/69/373245969.db2.gz XDVUCLRXEYSMIW-ZDUSSCGKSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444706992 373245976 /nfs/dbraw/zinc/24/59/76/373245976.db2.gz XDVUCLRXEYSMIW-ZDUSSCGKSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000299056280 373454275 /nfs/dbraw/zinc/45/42/75/373454275.db2.gz RLUVUOGDCYLZGV-UHFFFAOYSA-N 2 1 279.387 3.477 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000299056280 373454283 /nfs/dbraw/zinc/45/42/83/373454283.db2.gz RLUVUOGDCYLZGV-UHFFFAOYSA-N 2 1 279.387 3.477 20 0 CGADMP CC(C)(C[NH2+]C1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC000448070442 373545553 /nfs/dbraw/zinc/54/55/53/373545553.db2.gz RDHSBPGBWDVBBZ-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)[C@H](C)CC)C12CCCC2 ZINC000300413739 373630544 /nfs/dbraw/zinc/63/05/44/373630544.db2.gz CGRSAKUJBGLXLP-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)[C@H](C)CC)C12CCCC2 ZINC000300413739 373630549 /nfs/dbraw/zinc/63/05/49/373630549.db2.gz CGRSAKUJBGLXLP-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000300419718 373634319 /nfs/dbraw/zinc/63/43/19/373634319.db2.gz LUHDTCQXEPDXSJ-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000300419718 373634322 /nfs/dbraw/zinc/63/43/22/373634322.db2.gz LUHDTCQXEPDXSJ-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984727 373615079 /nfs/dbraw/zinc/61/50/79/373615079.db2.gz IBJXDJQTGZUZBO-GVDBMIGSSA-N 2 1 292.467 3.085 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000300078957 373618036 /nfs/dbraw/zinc/61/80/36/373618036.db2.gz PFCKTBKVEHZPOW-ZFWWWQNUSA-N 2 1 262.441 3.195 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(CSC)CC2)[C@H](C)C1 ZINC000449172223 373667753 /nfs/dbraw/zinc/66/77/53/373667753.db2.gz VHVZOKXFVVREQB-LMPOIIKSSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccoc1 ZINC000178113462 373744892 /nfs/dbraw/zinc/74/48/92/373744892.db2.gz PYZWNAUWGKFTKP-KFWWJZLASA-N 2 1 264.413 3.298 20 0 CGADMP Cc1cc(N(C)CC[N@@H+](C)C2CC2)c2ccccc2[nH+]1 ZINC000302227991 373834210 /nfs/dbraw/zinc/83/42/10/373834210.db2.gz AJQDYWBOQQDKLU-UHFFFAOYSA-N 2 1 269.392 3.074 20 0 CGADMP C[N@@H+](CCCc1ccccc1)CC[C@@H]1CCC[NH+]1C ZINC000179278067 373851160 /nfs/dbraw/zinc/85/11/60/373851160.db2.gz FRRQWRGUDMTRHQ-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000179278067 373851169 /nfs/dbraw/zinc/85/11/69/373851169.db2.gz FRRQWRGUDMTRHQ-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCCc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC000179278067 373851179 /nfs/dbraw/zinc/85/11/79/373851179.db2.gz FRRQWRGUDMTRHQ-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000449772019 373902045 /nfs/dbraw/zinc/90/20/45/373902045.db2.gz ZRPQMQQFGSRFIY-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000180348535 373992809 /nfs/dbraw/zinc/99/28/09/373992809.db2.gz IHEQJECPHUVVMH-GOEBONIOSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000180348535 373992823 /nfs/dbraw/zinc/99/28/23/373992823.db2.gz IHEQJECPHUVVMH-GOEBONIOSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2=CCCC2)CC[N@H+]1C ZINC000308752923 374177922 /nfs/dbraw/zinc/17/79/22/374177922.db2.gz DPSZTQKZEWAAPY-ZFWWWQNUSA-N 2 1 250.430 3.195 20 0 CGADMP COc1ccc(C)cc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000309751756 374194410 /nfs/dbraw/zinc/19/44/10/374194410.db2.gz JTJJYGPHWVHTKA-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP COc1ccc(C)cc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000309751756 374194415 /nfs/dbraw/zinc/19/44/15/374194415.db2.gz JTJJYGPHWVHTKA-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP C[C@]1(C[NH2+]Cc2cc[nH]c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309735189 374195335 /nfs/dbraw/zinc/19/53/35/374195335.db2.gz QJVWALWCAZCNQQ-GOSISDBHSA-N 2 1 283.419 3.017 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000309893776 374201162 /nfs/dbraw/zinc/20/11/62/374201162.db2.gz FPZQVEGWYKXPFI-CGTJXYLNSA-N 2 1 270.420 3.039 20 0 CGADMP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000182059911 374210523 /nfs/dbraw/zinc/21/05/23/374210523.db2.gz YALFEIJAUUFAIQ-AEFFLSMTSA-N 2 1 290.451 3.466 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)CC[N@@H+]1C ZINC000310713914 374221728 /nfs/dbraw/zinc/22/17/28/374221728.db2.gz FCRSFEMOWBGZHG-DOMZBBRYSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)CC[N@H+]1C ZINC000310713914 374221732 /nfs/dbraw/zinc/22/17/32/374221732.db2.gz FCRSFEMOWBGZHG-DOMZBBRYSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310746709 374223715 /nfs/dbraw/zinc/22/37/15/374223715.db2.gz IZQSNSRNALEQDR-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)C[NH+](C)C ZINC000311561984 374248125 /nfs/dbraw/zinc/24/81/25/374248125.db2.gz SEMIOTGOVAZURN-NEPJUHHUSA-N 2 1 277.437 3.145 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCCC3)CC[N@@H+]1C ZINC000328222650 374362359 /nfs/dbraw/zinc/36/23/59/374362359.db2.gz APMTVNVKWHTXHD-RBSFLKMASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCCC3)CC[N@H+]1C ZINC000328222650 374362364 /nfs/dbraw/zinc/36/23/64/374362364.db2.gz APMTVNVKWHTXHD-RBSFLKMASA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+](CC[NH2+][C@H](C1CC1)C1CCC1)C1CCCC1 ZINC000453100010 374365527 /nfs/dbraw/zinc/36/55/27/374365527.db2.gz MAHXBSMMELVABR-INIZCTEOSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@H](C1CC1)C1CCC1)C1CCCC1 ZINC000453100010 374365542 /nfs/dbraw/zinc/36/55/42/374365542.db2.gz MAHXBSMMELVABR-INIZCTEOSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183101189 374372278 /nfs/dbraw/zinc/37/22/78/374372278.db2.gz ZEXQZYXYBFOJCO-CABCVRRESA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101189 374372282 /nfs/dbraw/zinc/37/22/82/374372282.db2.gz ZEXQZYXYBFOJCO-CABCVRRESA-N 2 1 276.424 3.331 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1-n1cccn1 ZINC000183176278 374382815 /nfs/dbraw/zinc/38/28/15/374382815.db2.gz SHXDFJLGTCILGW-HOTGVXAUSA-N 2 1 298.434 3.007 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C12CCCC2 ZINC000085680371 541937574 /nfs/dbraw/zinc/93/75/74/541937574.db2.gz MQBXJOMUPJFMGI-GVDBMIGSSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H]1CCCF)C1CC1 ZINC000453403805 374473355 /nfs/dbraw/zinc/47/33/55/374473355.db2.gz OZBGJZREHYPEJT-HOCLYGCPSA-N 2 1 270.436 3.369 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000090408301 541961119 /nfs/dbraw/zinc/96/11/19/541961119.db2.gz VQZDKAWCFCFQFL-JSGCOSHPSA-N 2 1 281.469 3.223 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000090408301 541961123 /nfs/dbraw/zinc/96/11/23/541961123.db2.gz VQZDKAWCFCFQFL-JSGCOSHPSA-N 2 1 281.469 3.223 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CCCCC1 ZINC000332300476 374565930 /nfs/dbraw/zinc/56/59/30/374565930.db2.gz DXVMHGCFFWFUMJ-OAHLLOKOSA-N 2 1 274.408 3.021 20 0 CGADMP Cc1[nH+]ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000334256957 374663726 /nfs/dbraw/zinc/66/37/26/374663726.db2.gz MQIGWWJBZNADQQ-NSHDSACASA-N 2 1 276.771 3.151 20 0 CGADMP COCCCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681282 374714080 /nfs/dbraw/zinc/71/40/80/374714080.db2.gz JEMUYHOFNJYLNJ-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CCCCC13CCCC3)C2 ZINC000334423542 374737679 /nfs/dbraw/zinc/73/76/79/374737679.db2.gz FSDYPUIJLANZBR-CZUORRHYSA-N 2 1 273.424 3.360 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000334721575 375003178 /nfs/dbraw/zinc/00/31/78/375003178.db2.gz OHBSQZAHOUTYTM-INIZCTEOSA-N 2 1 292.467 3.085 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Cc2ccccc2)C1 ZINC000472576018 375024513 /nfs/dbraw/zinc/02/45/13/375024513.db2.gz YLWZYKAHLLNURO-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000472576018 375024523 /nfs/dbraw/zinc/02/45/23/375024523.db2.gz YLWZYKAHLLNURO-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000472576018 375024531 /nfs/dbraw/zinc/02/45/31/375024531.db2.gz YLWZYKAHLLNURO-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2cccc(F)c2)C1 ZINC000472662832 375029491 /nfs/dbraw/zinc/02/94/91/375029491.db2.gz ZLENJKVFILADDW-WMZOPIPTSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000472662832 375029496 /nfs/dbraw/zinc/02/94/96/375029496.db2.gz ZLENJKVFILADDW-WMZOPIPTSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000472662832 375029502 /nfs/dbraw/zinc/02/95/02/375029502.db2.gz ZLENJKVFILADDW-WMZOPIPTSA-N 2 1 290.426 3.489 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3occc3c2)CC[N@@H+]1C ZINC000289483565 197369689 /nfs/dbraw/zinc/36/96/89/197369689.db2.gz BWZWEZJURFRQBE-XJKSGUPXSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3occc3c2)CC[N@H+]1C ZINC000289483565 197369691 /nfs/dbraw/zinc/36/96/91/197369691.db2.gz BWZWEZJURFRQBE-XJKSGUPXSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3occc3c2)CC[NH+]1C ZINC000289483565 197369692 /nfs/dbraw/zinc/36/96/92/197369692.db2.gz BWZWEZJURFRQBE-XJKSGUPXSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3occc3c2)CC[NH+]1C ZINC000289483565 197369695 /nfs/dbraw/zinc/36/96/95/197369695.db2.gz BWZWEZJURFRQBE-XJKSGUPXSA-N 2 1 272.392 3.347 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)[C@H](C)C1 ZINC000477867674 375146360 /nfs/dbraw/zinc/14/63/60/375146360.db2.gz UDOREAPJZGWSDR-ZACQAIPSSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000474473073 375114280 /nfs/dbraw/zinc/11/42/80/375114280.db2.gz JFOBEXZSGUVLSG-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000474473073 375114287 /nfs/dbraw/zinc/11/42/87/375114287.db2.gz JFOBEXZSGUVLSG-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP COc1cccc(Cl)c1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000188278900 375188421 /nfs/dbraw/zinc/18/84/21/375188421.db2.gz VYADBMOGFZIUDI-YHWZYXNKSA-N 2 1 294.826 3.063 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189007055 375309649 /nfs/dbraw/zinc/30/96/49/375309649.db2.gz VAONOEVZIFPBPJ-AEFFLSMTSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000189037940 375314920 /nfs/dbraw/zinc/31/49/20/375314920.db2.gz SSTHBJKPHFHZLX-FHWLQOOXSA-N 2 1 298.474 3.472 20 0 CGADMP CSCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000188714511 375259212 /nfs/dbraw/zinc/25/92/12/375259212.db2.gz XGSRQIZJZIKTLA-XJKSGUPXSA-N 2 1 278.465 3.122 20 0 CGADMP Cc1nc([C@@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC000189764539 375443795 /nfs/dbraw/zinc/44/37/95/375443795.db2.gz RPABDYQJMWYDHD-ZFWWWQNUSA-N 2 1 279.453 3.073 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(O)c2Cl)CC1 ZINC000335913281 375535452 /nfs/dbraw/zinc/53/54/52/375535452.db2.gz SRNKRPDPXKHEAJ-UHFFFAOYSA-N 2 1 294.826 3.106 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(O)c2Cl)CC1 ZINC000335913281 375535460 /nfs/dbraw/zinc/53/54/60/375535460.db2.gz SRNKRPDPXKHEAJ-UHFFFAOYSA-N 2 1 294.826 3.106 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@H]1C ZINC000494886124 375494220 /nfs/dbraw/zinc/49/42/20/375494220.db2.gz MIYHBHZEUPAJTP-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000116386627 542004286 /nfs/dbraw/zinc/00/42/86/542004286.db2.gz AEAOOEWDQAUZLQ-QZTJIDSGSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000124015794 542030098 /nfs/dbraw/zinc/03/00/98/542030098.db2.gz RAZINHMLOOVMJD-CJNGLKHVSA-N 2 1 258.409 3.095 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000507489030 375707254 /nfs/dbraw/zinc/70/72/54/375707254.db2.gz VXXVDXAXNBVGNK-HOTGVXAUSA-N 2 1 289.467 3.415 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000507489030 375707257 /nfs/dbraw/zinc/70/72/57/375707257.db2.gz VXXVDXAXNBVGNK-HOTGVXAUSA-N 2 1 289.467 3.415 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508527077 375748970 /nfs/dbraw/zinc/74/89/70/375748970.db2.gz GICUKYVQWSAIRM-QIPRVMPFSA-N 2 1 272.436 3.364 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000508527077 375748974 /nfs/dbraw/zinc/74/89/74/375748974.db2.gz GICUKYVQWSAIRM-QIPRVMPFSA-N 2 1 272.436 3.364 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000508527077 375748980 /nfs/dbraw/zinc/74/89/80/375748980.db2.gz GICUKYVQWSAIRM-QIPRVMPFSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000336356857 375782140 /nfs/dbraw/zinc/78/21/40/375782140.db2.gz NBHQLJQAJPODHR-WBMJQRKESA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000336356857 375782144 /nfs/dbraw/zinc/78/21/44/375782144.db2.gz NBHQLJQAJPODHR-WBMJQRKESA-N 2 1 278.827 3.211 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000192508667 375759366 /nfs/dbraw/zinc/75/93/66/375759366.db2.gz BLXUVQMCJKZEQH-CRAIPNDOSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000192536506 375762716 /nfs/dbraw/zinc/76/27/16/375762716.db2.gz MKKJELVXYDWWIO-NJAFHUGGSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1c[nH+]ccc1NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000192586010 375768594 /nfs/dbraw/zinc/76/85/94/375768594.db2.gz WLTJYUKDMSXHCK-OAHLLOKOSA-N 2 1 269.392 3.322 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000516117511 375818091 /nfs/dbraw/zinc/81/80/91/375818091.db2.gz GAQWFUZNNCUFTD-MLHJIOFPSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000516117511 375818097 /nfs/dbraw/zinc/81/80/97/375818097.db2.gz GAQWFUZNNCUFTD-MLHJIOFPSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000516117511 375818100 /nfs/dbraw/zinc/81/81/00/375818100.db2.gz GAQWFUZNNCUFTD-MLHJIOFPSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000516117511 375818106 /nfs/dbraw/zinc/81/81/06/375818106.db2.gz GAQWFUZNNCUFTD-MLHJIOFPSA-N 2 1 276.468 3.395 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1sccc1Cl ZINC000193085597 375824413 /nfs/dbraw/zinc/82/44/13/375824413.db2.gz GLBHILTZIHRGFG-SNVBAGLBSA-N 2 1 283.828 3.332 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOC1CCCCCC1 ZINC000130706217 542064843 /nfs/dbraw/zinc/06/48/43/542064843.db2.gz DMRMLPGAEHUNDT-UHFFFAOYSA-N 2 1 293.455 3.253 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOC1CCCCCC1 ZINC000130706217 542064847 /nfs/dbraw/zinc/06/48/47/542064847.db2.gz DMRMLPGAEHUNDT-UHFFFAOYSA-N 2 1 293.455 3.253 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)cc1 ZINC000193457231 375879376 /nfs/dbraw/zinc/87/93/76/375879376.db2.gz QNODTGZEIFYKKH-UHFFFAOYSA-N 2 1 298.377 3.206 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)cc1 ZINC000193457231 375879379 /nfs/dbraw/zinc/87/93/79/375879379.db2.gz QNODTGZEIFYKKH-UHFFFAOYSA-N 2 1 298.377 3.206 20 0 CGADMP C[N@H+](CCCc1ccccc1)CCC[NH+]1CCCC1 ZINC000193471789 375883046 /nfs/dbraw/zinc/88/30/46/375883046.db2.gz ZURQJCDOTXRSJB-UHFFFAOYSA-N 2 1 260.425 3.037 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000131437346 542069922 /nfs/dbraw/zinc/06/99/22/542069922.db2.gz KREOEQDDCOJWSQ-MRXNPFEDSA-N 2 1 264.388 3.135 20 0 CGADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccs1 ZINC000336709716 375914821 /nfs/dbraw/zinc/91/48/21/375914821.db2.gz MMPLWSIWMWRWML-AWEZNQCLSA-N 2 1 266.454 3.443 20 0 CGADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000336709716 375914829 /nfs/dbraw/zinc/91/48/29/375914829.db2.gz MMPLWSIWMWRWML-AWEZNQCLSA-N 2 1 266.454 3.443 20 0 CGADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000336709716 375914833 /nfs/dbraw/zinc/91/48/33/375914833.db2.gz MMPLWSIWMWRWML-AWEZNQCLSA-N 2 1 266.454 3.443 20 0 CGADMP Cc1ccc(C)n1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336832802 375995509 /nfs/dbraw/zinc/99/55/09/375995509.db2.gz BHPFKSNLIUGVIN-KRWDZBQOSA-N 2 1 289.467 3.226 20 0 CGADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCC34CCCC4)CC[N@H+]2C1 ZINC000336886062 376018549 /nfs/dbraw/zinc/01/85/49/376018549.db2.gz BJBQPURLGJEFNP-OAGGEKHMSA-N 2 1 262.441 3.316 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000336903329 376025847 /nfs/dbraw/zinc/02/58/47/376025847.db2.gz VDLAZXBBIRGAGZ-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000535747713 376053106 /nfs/dbraw/zinc/05/31/06/376053106.db2.gz ZGWWFHXBPLKFOZ-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000535747713 376053111 /nfs/dbraw/zinc/05/31/11/376053111.db2.gz ZGWWFHXBPLKFOZ-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000536265493 376084102 /nfs/dbraw/zinc/08/41/02/376084102.db2.gz VSMHDEZWASTIJF-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000536265493 376084105 /nfs/dbraw/zinc/08/41/05/376084105.db2.gz VSMHDEZWASTIJF-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000536265493 376084111 /nfs/dbraw/zinc/08/41/11/376084111.db2.gz VSMHDEZWASTIJF-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000537309591 376163042 /nfs/dbraw/zinc/16/30/42/376163042.db2.gz ODSHACXKMAEDHF-SOLBZPMBSA-N 2 1 274.452 3.328 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(C)s1 ZINC000337275498 376186119 /nfs/dbraw/zinc/18/61/19/376186119.db2.gz QKXOZRNTAGZYNM-UHFFFAOYSA-N 2 1 266.454 3.283 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(C)s1 ZINC000337275498 376186125 /nfs/dbraw/zinc/18/61/25/376186125.db2.gz QKXOZRNTAGZYNM-UHFFFAOYSA-N 2 1 266.454 3.283 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000221782940 376221254 /nfs/dbraw/zinc/22/12/54/376221254.db2.gz KBAFEXNRRQPHBM-UHFFFAOYSA-N 2 1 299.256 3.269 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000221782940 376221259 /nfs/dbraw/zinc/22/12/59/376221259.db2.gz KBAFEXNRRQPHBM-UHFFFAOYSA-N 2 1 299.256 3.269 20 0 CGADMP CCCC1CCC(C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000538444877 376241643 /nfs/dbraw/zinc/24/16/43/376241643.db2.gz UDWOUKIIPCABJO-UHFFFAOYSA-N 2 1 264.457 3.444 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000338166346 376272281 /nfs/dbraw/zinc/27/22/81/376272281.db2.gz PHWXKIPWBADNQU-MRXNPFEDSA-N 2 1 284.447 3.323 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000539506935 376315959 /nfs/dbraw/zinc/31/59/59/376315959.db2.gz HWRDFKAYZGFCOO-SFHVURJKSA-N 2 1 290.426 3.244 20 0 CGADMP C[N@H+](Cc1ccnc2ccccc12)CC1CC[NH+](C)CC1 ZINC000539839552 376339362 /nfs/dbraw/zinc/33/93/62/376339362.db2.gz MQGPGXBKOJSPOS-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000539837474 376340196 /nfs/dbraw/zinc/34/01/96/376340196.db2.gz FCXNPRMFJHTPFP-STQMWFEESA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000539837474 376340200 /nfs/dbraw/zinc/34/02/00/376340200.db2.gz FCXNPRMFJHTPFP-STQMWFEESA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000539837474 376340204 /nfs/dbraw/zinc/34/02/04/376340204.db2.gz FCXNPRMFJHTPFP-STQMWFEESA-N 2 1 266.454 3.225 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000539837474 376340207 /nfs/dbraw/zinc/34/02/07/376340207.db2.gz FCXNPRMFJHTPFP-STQMWFEESA-N 2 1 266.454 3.225 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226130933 376341529 /nfs/dbraw/zinc/34/15/29/376341529.db2.gz PDOMFWBIWYDDLJ-WOPDTQHZSA-N 2 1 266.351 3.180 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226130933 376341536 /nfs/dbraw/zinc/34/15/36/376341536.db2.gz PDOMFWBIWYDDLJ-WOPDTQHZSA-N 2 1 266.351 3.180 20 0 CGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226436860 376360048 /nfs/dbraw/zinc/36/00/48/376360048.db2.gz YCMOKQKUDOGUOC-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000226508008 376361591 /nfs/dbraw/zinc/36/15/91/376361591.db2.gz QQYQOZBRJKVRCO-UHFFFAOYSA-N 2 1 278.415 3.487 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000226506829 376361755 /nfs/dbraw/zinc/36/17/55/376361755.db2.gz UQUYSHRYEHOWOQ-UHFFFAOYSA-N 2 1 264.388 3.097 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000540608263 376385379 /nfs/dbraw/zinc/38/53/79/376385379.db2.gz XIUHLPHPBXZBPW-GOSISDBHSA-N 2 1 270.420 3.379 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC000228473227 376436876 /nfs/dbraw/zinc/43/68/76/376436876.db2.gz BGEFCLNUDYYPEG-BZUAXINKSA-N 2 1 250.430 3.016 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228536158 376440278 /nfs/dbraw/zinc/44/02/78/376440278.db2.gz SPBICJDPSXDMIG-IAOVAPTHSA-N 2 1 284.403 3.300 20 0 CGADMP CCC(CC)(CC)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000542151191 376511741 /nfs/dbraw/zinc/51/17/41/376511741.db2.gz DGVDTNWKNNGSHK-BRWVUGGUSA-N 2 1 296.499 3.386 20 0 CGADMP Cc1ccc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000230695986 376535478 /nfs/dbraw/zinc/53/54/78/376535478.db2.gz VWQBPDDVSJFZGY-MQVJKMGUSA-N 2 1 276.399 3.239 20 0 CGADMP CC(C)[N@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232752127 376588204 /nfs/dbraw/zinc/58/82/04/376588204.db2.gz IFYBALCIDSTIBC-UONOGXRCSA-N 2 1 266.454 3.347 20 0 CGADMP CCN1CCC([N@@H+](C)C[C@H]2CCCC[C@H]2C)CC1 ZINC000543398614 376635467 /nfs/dbraw/zinc/63/54/67/376635467.db2.gz VICINWPAYQPBBV-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCC[C@H]2C)CC1 ZINC000543398614 376635475 /nfs/dbraw/zinc/63/54/75/376635475.db2.gz VICINWPAYQPBBV-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@H]2C)CC1 ZINC000543398614 376635480 /nfs/dbraw/zinc/63/54/80/376635480.db2.gz VICINWPAYQPBBV-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)[C@H](C)C1 ZINC000543428797 376640435 /nfs/dbraw/zinc/64/04/35/376640435.db2.gz DSEFXRKCBDJLKP-HZSPNIEDSA-N 2 1 272.502 3.084 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000235697491 376648383 /nfs/dbraw/zinc/64/83/83/376648383.db2.gz PFCKTBKVEHZPOW-HIFRSBDPSA-N 2 1 262.441 3.195 20 0 CGADMP CCC1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236642554 376677338 /nfs/dbraw/zinc/67/73/38/376677338.db2.gz BFPSCGHVLXCWEE-OQSMONGASA-N 2 1 296.499 3.434 20 0 CGADMP CC[NH+](CC)CCS[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339114232 376687460 /nfs/dbraw/zinc/68/74/60/376687460.db2.gz QGNNLKBQIHXJNK-QGZVFWFLSA-N 2 1 292.492 3.336 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)Cc2ccsc2)C1 ZINC000544024125 376695777 /nfs/dbraw/zinc/69/57/77/376695777.db2.gz TVIPZLNZBPCXHH-ZBFHGGJFSA-N 2 1 280.481 3.343 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000544024125 376695783 /nfs/dbraw/zinc/69/57/83/376695783.db2.gz TVIPZLNZBPCXHH-ZBFHGGJFSA-N 2 1 280.481 3.343 20 0 CGADMP c1cc2cc[nH+]cc2c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000156156634 542126536 /nfs/dbraw/zinc/12/65/36/542126536.db2.gz FMKLRNMBQWBVMD-HUUCEWRRSA-N 2 1 267.376 3.274 20 0 CGADMP c1cc2cc[nH+]cc2c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000156156634 542126539 /nfs/dbraw/zinc/12/65/39/542126539.db2.gz FMKLRNMBQWBVMD-HUUCEWRRSA-N 2 1 267.376 3.274 20 0 CGADMP C[C@H]1C[C@H](Nc2cccc3cc[nH+]cc32)CC[N@@H+]1C ZINC000156156255 542126688 /nfs/dbraw/zinc/12/66/88/542126688.db2.gz PUJVZZCSOUNJJU-GXTWGEPZSA-N 2 1 255.365 3.129 20 0 CGADMP C[C@H]1C[C@H](Nc2cccc3cc[nH+]cc32)CC[N@H+]1C ZINC000156156255 542126693 /nfs/dbraw/zinc/12/66/93/542126693.db2.gz PUJVZZCSOUNJJU-GXTWGEPZSA-N 2 1 255.365 3.129 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000154732309 542120123 /nfs/dbraw/zinc/12/01/23/542120123.db2.gz RGOIGAQXNVTHKI-KRWDZBQOSA-N 2 1 294.389 3.415 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245607445 376867256 /nfs/dbraw/zinc/86/72/56/376867256.db2.gz NMHJHQACLXFWCC-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245607445 376867264 /nfs/dbraw/zinc/86/72/64/376867264.db2.gz NMHJHQACLXFWCC-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245607445 376867272 /nfs/dbraw/zinc/86/72/72/376867272.db2.gz NMHJHQACLXFWCC-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000246127062 376970695 /nfs/dbraw/zinc/97/06/95/376970695.db2.gz KQPBUSCUCPOTKU-YOEHRIQHSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000246127062 376970712 /nfs/dbraw/zinc/97/07/12/376970712.db2.gz KQPBUSCUCPOTKU-YOEHRIQHSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000246127062 376970722 /nfs/dbraw/zinc/97/07/22/376970722.db2.gz KQPBUSCUCPOTKU-YOEHRIQHSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000246127062 376970730 /nfs/dbraw/zinc/97/07/30/376970730.db2.gz KQPBUSCUCPOTKU-YOEHRIQHSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000246127045 376971053 /nfs/dbraw/zinc/97/10/53/376971053.db2.gz KQPBUSCUCPOTKU-WMLDXEAASA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000246127045 376971065 /nfs/dbraw/zinc/97/10/65/376971065.db2.gz KQPBUSCUCPOTKU-WMLDXEAASA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000246127045 376971070 /nfs/dbraw/zinc/97/10/70/376971070.db2.gz KQPBUSCUCPOTKU-WMLDXEAASA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000246127045 376971082 /nfs/dbraw/zinc/97/10/82/376971082.db2.gz KQPBUSCUCPOTKU-WMLDXEAASA-N 2 1 274.408 3.037 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000558611246 377024061 /nfs/dbraw/zinc/02/40/61/377024061.db2.gz YMBSKYCCEVZDOL-JFIYKMOQSA-N 2 1 287.451 3.039 20 0 CGADMP CC(C)CSCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246497302 377042090 /nfs/dbraw/zinc/04/20/90/377042090.db2.gz SJDHJVRMWOWRFK-SOUVJXGZSA-N 2 1 272.502 3.084 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000246282623 377003687 /nfs/dbraw/zinc/00/36/87/377003687.db2.gz BQBWAZYXFNJTIV-CABCVRRESA-N 2 1 264.413 3.298 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000246282623 377003693 /nfs/dbraw/zinc/00/36/93/377003693.db2.gz BQBWAZYXFNJTIV-CABCVRRESA-N 2 1 264.413 3.298 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000340457969 377069493 /nfs/dbraw/zinc/06/94/93/377069493.db2.gz FFLFQGXBDRAJOG-ZOBUZTSGSA-N 2 1 278.415 3.235 20 0 CGADMP C[C@@H](c1cccs1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246677443 377071097 /nfs/dbraw/zinc/07/10/97/377071097.db2.gz FXYIBUKMTAJNAC-QWHCGFSZSA-N 2 1 252.427 3.225 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246677443 377071104 /nfs/dbraw/zinc/07/11/04/377071104.db2.gz FXYIBUKMTAJNAC-QWHCGFSZSA-N 2 1 252.427 3.225 20 0 CGADMP C[C@@H](c1cccs1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000246677443 377071109 /nfs/dbraw/zinc/07/11/09/377071109.db2.gz FXYIBUKMTAJNAC-QWHCGFSZSA-N 2 1 252.427 3.225 20 0 CGADMP C[C@@H](c1cccs1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000246677443 377071117 /nfs/dbraw/zinc/07/11/17/377071117.db2.gz FXYIBUKMTAJNAC-QWHCGFSZSA-N 2 1 252.427 3.225 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000247304942 377192788 /nfs/dbraw/zinc/19/27/88/377192788.db2.gz PTMLBGAQXWWROJ-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP CCS[C@@H]1CCCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000247304942 377192799 /nfs/dbraw/zinc/19/27/99/377192799.db2.gz PTMLBGAQXWWROJ-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP CCS[C@@H]1CCCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000247304942 377192806 /nfs/dbraw/zinc/19/28/06/377192806.db2.gz PTMLBGAQXWWROJ-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP CCC1CC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000560244579 377132682 /nfs/dbraw/zinc/13/26/82/377132682.db2.gz NLAUOSWSKKGSIB-PCKAHOCUSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000246992471 377134487 /nfs/dbraw/zinc/13/44/87/377134487.db2.gz KHCKSYIPTYLDQK-PMUMKWKESA-N 2 1 290.426 3.381 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000246996737 377137056 /nfs/dbraw/zinc/13/70/56/377137056.db2.gz KMBGBODYDGQGOU-PKOBYXMFSA-N 2 1 286.463 3.329 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000247039807 377145717 /nfs/dbraw/zinc/14/57/17/377145717.db2.gz MRCDVZZCZFYTKY-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000247047828 377147221 /nfs/dbraw/zinc/14/72/21/377147221.db2.gz OOYWQMLMPDNCKV-HOTGVXAUSA-N 2 1 272.436 3.099 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000247156423 377170099 /nfs/dbraw/zinc/17/00/99/377170099.db2.gz RSNCCNOLIXCDHA-ZOPJHEKZSA-N 2 1 296.405 3.387 20 0 CGADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247234894 377184107 /nfs/dbraw/zinc/18/41/07/377184107.db2.gz XFCZSWLVXVTKRB-BVIKNXMNSA-N 2 1 290.451 3.081 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247258013 377186378 /nfs/dbraw/zinc/18/63/78/377186378.db2.gz YYFVVDINJRLFEX-DZGCQCFKSA-N 2 1 278.465 3.289 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247258013 377186391 /nfs/dbraw/zinc/18/63/91/377186391.db2.gz YYFVVDINJRLFEX-DZGCQCFKSA-N 2 1 278.465 3.289 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247993124 377256762 /nfs/dbraw/zinc/25/67/62/377256762.db2.gz JQHNYXOVYJHVLA-YFHUEUNASA-N 2 1 274.452 3.417 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248124456 377269664 /nfs/dbraw/zinc/26/96/64/377269664.db2.gz NTYMIZUZDLEYQN-HLLBOEOZSA-N 2 1 260.425 3.171 20 0 CGADMP CCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000561981973 377261492 /nfs/dbraw/zinc/26/14/92/377261492.db2.gz HPFOCYIHYZYXMV-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000561981973 377261499 /nfs/dbraw/zinc/26/14/99/377261499.db2.gz HPFOCYIHYZYXMV-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000561981973 377261504 /nfs/dbraw/zinc/26/15/04/377261504.db2.gz HPFOCYIHYZYXMV-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000561981973 377261511 /nfs/dbraw/zinc/26/15/11/377261511.db2.gz HPFOCYIHYZYXMV-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000248181968 377276177 /nfs/dbraw/zinc/27/61/77/377276177.db2.gz WNZGKESAWODARL-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248181968 377276184 /nfs/dbraw/zinc/27/61/84/377276184.db2.gz WNZGKESAWODARL-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248181968 377276191 /nfs/dbraw/zinc/27/61/91/377276191.db2.gz WNZGKESAWODARL-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248181968 377276198 /nfs/dbraw/zinc/27/61/98/377276198.db2.gz WNZGKESAWODARL-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248181968 377276205 /nfs/dbraw/zinc/27/62/05/377276205.db2.gz WNZGKESAWODARL-CVEARBPZSA-N 2 1 260.425 3.330 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)[C@@H](C)C1 ZINC000248174350 377277902 /nfs/dbraw/zinc/27/79/02/377277902.db2.gz VIDJQPXWJXOTMT-WMLDXEAASA-N 2 1 290.426 3.177 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248343373 377289850 /nfs/dbraw/zinc/28/98/50/377289850.db2.gz KFIJGWFXQLQYPJ-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248343373 377289863 /nfs/dbraw/zinc/28/98/63/377289863.db2.gz KFIJGWFXQLQYPJ-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000562956339 377378681 /nfs/dbraw/zinc/37/86/81/377378681.db2.gz PIOFKZIMWSESOV-AWEZNQCLSA-N 2 1 271.408 3.274 20 0 CGADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000248734031 377389368 /nfs/dbraw/zinc/38/93/68/377389368.db2.gz MTYDTVVPXLGIIC-JKSUJKDBSA-N 2 1 296.842 3.101 20 0 CGADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000248734031 377389377 /nfs/dbraw/zinc/38/93/77/377389377.db2.gz MTYDTVVPXLGIIC-JKSUJKDBSA-N 2 1 296.842 3.101 20 0 CGADMP CCCCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000563416598 377458993 /nfs/dbraw/zinc/45/89/93/377458993.db2.gz HLJJEVXWMBXIQQ-UHFFFAOYSA-N 2 1 276.424 3.051 20 0 CGADMP CC1([NH2+]Cc2cnc(C3CCCCC3)s2)CC[NH2+]CC1 ZINC000563421227 377461387 /nfs/dbraw/zinc/46/13/87/377461387.db2.gz SFUVDWCPNXERLZ-UHFFFAOYSA-N 2 1 293.480 3.423 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000092165554 249033068 /nfs/dbraw/zinc/03/30/68/249033068.db2.gz REMCMKLLUPGRCR-UHFFFAOYSA-N 2 1 278.415 3.440 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000092165554 249033070 /nfs/dbraw/zinc/03/30/70/249033070.db2.gz REMCMKLLUPGRCR-UHFFFAOYSA-N 2 1 278.415 3.440 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000092566796 249034448 /nfs/dbraw/zinc/03/44/48/249034448.db2.gz JGIJEHXBYJKQHY-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000312986252 249083447 /nfs/dbraw/zinc/08/34/47/249083447.db2.gz HIDCZYWRZFJDDT-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000341404375 377553367 /nfs/dbraw/zinc/55/33/67/377553367.db2.gz NGGWBDBTTLQVIN-UHFFFAOYSA-N 2 1 294.487 3.371 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249943389 377543127 /nfs/dbraw/zinc/54/31/27/377543127.db2.gz XHEUEPBTMWTJJY-BLNMRFBMSA-N 2 1 250.430 3.028 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccn1 ZINC000250057708 377548551 /nfs/dbraw/zinc/54/85/51/377548551.db2.gz MSLZGVMXSIEXDT-UMVBOHGHSA-N 2 1 293.480 3.012 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccn1 ZINC000250057708 377548564 /nfs/dbraw/zinc/54/85/64/377548564.db2.gz MSLZGVMXSIEXDT-UMVBOHGHSA-N 2 1 293.480 3.012 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000469858119 249160446 /nfs/dbraw/zinc/16/04/46/249160446.db2.gz BFJWRIVUJPHFRW-DJIMGWMZSA-N 2 1 260.425 3.239 20 0 CGADMP Clc1ccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428030000 249131535 /nfs/dbraw/zinc/13/15/35/249131535.db2.gz BZKQHLOBDTVJCT-SWLSCSKDSA-N 2 1 296.867 3.116 20 0 CGADMP Clc1ccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428030000 249131538 /nfs/dbraw/zinc/13/15/38/249131538.db2.gz BZKQHLOBDTVJCT-SWLSCSKDSA-N 2 1 296.867 3.116 20 0 CGADMP CCCC[N@@H+](CC)Cc1cccc(C[NH2+][C@H](C)[C@@H](C)O)c1 ZINC000573676368 377559769 /nfs/dbraw/zinc/55/97/69/377559769.db2.gz JFFVQUFRQXHKLO-HZPDHXFCSA-N 2 1 292.467 3.168 20 0 CGADMP CC1=CC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000514709638 249186736 /nfs/dbraw/zinc/18/67/36/249186736.db2.gz BXQIJPDUBRYXMK-HNNXBMFYSA-N 2 1 250.430 3.339 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CC3)CC23CC3)cc1 ZINC000516062938 249224714 /nfs/dbraw/zinc/22/47/14/249224714.db2.gz LMXFQZNWFMWCPU-KRWDZBQOSA-N 2 1 270.420 3.183 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC3)CC23CC3)cc1 ZINC000516062938 249224717 /nfs/dbraw/zinc/22/47/17/249224717.db2.gz LMXFQZNWFMWCPU-KRWDZBQOSA-N 2 1 270.420 3.183 20 0 CGADMP Cc1[nH+]c2ccccc2c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000516340740 249231453 /nfs/dbraw/zinc/23/14/53/249231453.db2.gz VDZUMLVGVZCLKD-SWLSCSKDSA-N 2 1 283.419 3.168 20 0 CGADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251270240 377578062 /nfs/dbraw/zinc/57/80/62/377578062.db2.gz BQYZNRGCYSHLFY-SLUKUZTOSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252119612 377615939 /nfs/dbraw/zinc/61/59/39/377615939.db2.gz JDBUIVCPKFNFLJ-ZVDSWSACSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000180534677 542211867 /nfs/dbraw/zinc/21/18/67/542211867.db2.gz YINNPDXNGSZTGZ-CQSZACIVSA-N 2 1 278.444 3.025 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000252895483 377669710 /nfs/dbraw/zinc/66/97/10/377669710.db2.gz YZXCMYFBBYJMJQ-BXUZGUMPSA-N 2 1 286.341 3.135 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000574845457 377716334 /nfs/dbraw/zinc/71/63/34/377716334.db2.gz DKNAQZWOHDJULE-AWEZNQCLSA-N 2 1 278.415 3.208 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000574845457 377716338 /nfs/dbraw/zinc/71/63/38/377716338.db2.gz DKNAQZWOHDJULE-AWEZNQCLSA-N 2 1 278.415 3.208 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261688731 377840316 /nfs/dbraw/zinc/84/03/16/377840316.db2.gz NDNWVMHIGJWROP-MDASCCDHSA-N 2 1 280.415 3.442 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261576508 377820227 /nfs/dbraw/zinc/82/02/27/377820227.db2.gz CEPAGLBWEUTXDZ-IUODEOHRSA-N 2 1 272.417 3.085 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc2ccccc2o1 ZINC000261589887 377822888 /nfs/dbraw/zinc/82/28/88/377822888.db2.gz LBRZXAUTPJLWLJ-OBJOEFQTSA-N 2 1 258.365 3.081 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@](C)(C[NH3+])C3)ccc2c1 ZINC000261598229 377825946 /nfs/dbraw/zinc/82/59/46/377825946.db2.gz AVNFXRNIJLMCOE-GOSISDBHSA-N 2 1 284.403 3.019 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261652339 377834593 /nfs/dbraw/zinc/83/45/93/377834593.db2.gz BDOKPZWENXNHIY-XHDPSFHLSA-N 2 1 266.816 3.072 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261652339 377834600 /nfs/dbraw/zinc/83/46/00/377834600.db2.gz BDOKPZWENXNHIY-XHDPSFHLSA-N 2 1 266.816 3.072 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261940801 377871165 /nfs/dbraw/zinc/87/11/65/377871165.db2.gz MRQCSVPOWCQQEV-JGGQBBKZSA-N 2 1 278.827 3.072 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000261949552 377871507 /nfs/dbraw/zinc/87/15/07/377871507.db2.gz MSMKZUDDCACQFH-MRXNPFEDSA-N 2 1 298.430 3.280 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)oc2cc1C ZINC000261998278 377878182 /nfs/dbraw/zinc/87/81/82/377878182.db2.gz LCHDDAPHLRIBAV-SFHVURJKSA-N 2 1 284.403 3.235 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)oc2cc1C ZINC000261998278 377878192 /nfs/dbraw/zinc/87/81/92/377878192.db2.gz LCHDDAPHLRIBAV-SFHVURJKSA-N 2 1 284.403 3.235 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000262029311 377880759 /nfs/dbraw/zinc/88/07/59/377880759.db2.gz WYJRESPAGWQYTH-CYBMUJFWSA-N 2 1 280.843 3.334 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000262029311 377880764 /nfs/dbraw/zinc/88/07/64/377880764.db2.gz WYJRESPAGWQYTH-CYBMUJFWSA-N 2 1 280.843 3.334 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000262042794 377882407 /nfs/dbraw/zinc/88/24/07/377882407.db2.gz BZVNZWKNOBOSQS-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@]2(C)CC[NH2+]C2)C2CC2)cc1C ZINC000262086735 377887238 /nfs/dbraw/zinc/88/72/38/377887238.db2.gz ULFQLCDISLYUIR-GOSISDBHSA-N 2 1 272.436 3.267 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261703347 377842731 /nfs/dbraw/zinc/84/27/31/377842731.db2.gz IRMNGUIRXXEJMI-WMZOPIPTSA-N 2 1 266.388 3.024 20 0 CGADMP Cc1nccn1CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000342864692 377847230 /nfs/dbraw/zinc/84/72/30/377847230.db2.gz PARRJZOZFZHTQB-UHFFFAOYSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000342864692 377847245 /nfs/dbraw/zinc/84/72/45/377847245.db2.gz PARRJZOZFZHTQB-UHFFFAOYSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000342864692 377847250 /nfs/dbraw/zinc/84/72/50/377847250.db2.gz PARRJZOZFZHTQB-UHFFFAOYSA-N 2 1 289.345 3.246 20 0 CGADMP CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342867951 377849226 /nfs/dbraw/zinc/84/92/26/377849226.db2.gz INAXSIXYRXHMBL-UHFFFAOYSA-N 2 1 272.436 3.385 20 0 CGADMP CC(C)c1cccc2c1CC[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000261744101 377849277 /nfs/dbraw/zinc/84/92/77/377849277.db2.gz ISNYVJWOADDJGQ-SFHVURJKSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)c1cccc2c1CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000261744101 377849281 /nfs/dbraw/zinc/84/92/81/377849281.db2.gz ISNYVJWOADDJGQ-SFHVURJKSA-N 2 1 272.436 3.168 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)C[C@@]1(C)CC[NH2+]C1 ZINC000261751169 377849625 /nfs/dbraw/zinc/84/96/25/377849625.db2.gz JRZXPXJKTNLJDH-SFHVURJKSA-N 2 1 268.404 3.271 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000261772151 377851828 /nfs/dbraw/zinc/85/18/28/377851828.db2.gz DSXOHPVGSFHHRW-UONOGXRCSA-N 2 1 280.843 3.375 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000261772151 377851834 /nfs/dbraw/zinc/85/18/34/377851834.db2.gz DSXOHPVGSFHHRW-UONOGXRCSA-N 2 1 280.843 3.375 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000343100753 377903122 /nfs/dbraw/zinc/90/31/22/377903122.db2.gz GSBDMEAPDPVTNJ-SJKOYZFVSA-N 2 1 290.838 3.401 20 0 CGADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)c1 ZINC000576027171 378007957 /nfs/dbraw/zinc/00/79/57/378007957.db2.gz PFRXDBJCXCGZJI-DNVCBOLYSA-N 2 1 298.430 3.052 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343609779 378040167 /nfs/dbraw/zinc/04/01/67/378040167.db2.gz HOXRIPQIPQMTSZ-ZIAGYGMSSA-N 2 1 291.464 3.127 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343609779 378040171 /nfs/dbraw/zinc/04/01/71/378040171.db2.gz HOXRIPQIPQMTSZ-ZIAGYGMSSA-N 2 1 291.464 3.127 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000343624609 378044612 /nfs/dbraw/zinc/04/46/12/378044612.db2.gz QVDJWZGJNXGNBI-MSOLQXFVSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+](C)CCC[NH+](C)C ZINC000578614368 378086409 /nfs/dbraw/zinc/08/64/09/378086409.db2.gz WDFFRTPAYFSHJG-MRXNPFEDSA-N 2 1 262.441 3.139 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000578470640 378072947 /nfs/dbraw/zinc/07/29/47/378072947.db2.gz MYWHGJAERHWHSY-CYBMUJFWSA-N 2 1 293.480 3.231 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000578470640 378072957 /nfs/dbraw/zinc/07/29/57/378072957.db2.gz MYWHGJAERHWHSY-CYBMUJFWSA-N 2 1 293.480 3.231 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000268794192 378113506 /nfs/dbraw/zinc/11/35/06/378113506.db2.gz HJGWYFQOMGACEE-SUMWQHHRSA-N 2 1 269.392 3.420 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000268824406 378122230 /nfs/dbraw/zinc/12/22/30/378122230.db2.gz AUROLESZPRTKDQ-SJCJKPOMSA-N 2 1 287.382 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000268853481 378131887 /nfs/dbraw/zinc/13/18/87/378131887.db2.gz LAMBJKJMDWNXNZ-LSDHHAIUSA-N 2 1 271.408 3.363 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268867814 378136512 /nfs/dbraw/zinc/13/65/12/378136512.db2.gz ADYWKOZSAJTDPE-WBVHZDCISA-N 2 1 292.492 3.382 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268867814 378136517 /nfs/dbraw/zinc/13/65/17/378136517.db2.gz ADYWKOZSAJTDPE-WBVHZDCISA-N 2 1 292.492 3.382 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000579837626 378200113 /nfs/dbraw/zinc/20/01/13/378200113.db2.gz KGXXSGKBXNINCN-WMZOPIPTSA-N 2 1 274.452 3.358 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345169738 378212226 /nfs/dbraw/zinc/21/22/26/378212226.db2.gz HFRFEXGENTVAOJ-MRXNPFEDSA-N 2 1 272.436 3.107 20 0 CGADMP CC[N@H+]1C[C@@H](C)N(c2ccnc3cc(F)ccc32)C[C@H]1C ZINC000345190218 378219119 /nfs/dbraw/zinc/21/91/19/378219119.db2.gz MNTOESAIVFVDRP-CHWSQXEVSA-N 2 1 287.382 3.293 20 0 CGADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3cc(F)ccc32)C[C@H]1C ZINC000345190218 378219126 /nfs/dbraw/zinc/21/91/26/378219126.db2.gz MNTOESAIVFVDRP-CHWSQXEVSA-N 2 1 287.382 3.293 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000580262148 378235925 /nfs/dbraw/zinc/23/59/25/378235925.db2.gz MFGUBCZUQVETDD-QKPAOTATSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000580262148 378235927 /nfs/dbraw/zinc/23/59/27/378235927.db2.gz MFGUBCZUQVETDD-QKPAOTATSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC1Cc2ccccc2C1 ZINC000580264493 378235978 /nfs/dbraw/zinc/23/59/78/378235978.db2.gz AMAGHQSPQILPBA-CVEARBPZSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC1Cc2ccccc2C1 ZINC000580264493 378235979 /nfs/dbraw/zinc/23/59/79/378235979.db2.gz AMAGHQSPQILPBA-CVEARBPZSA-N 2 1 286.463 3.111 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000582327894 378304953 /nfs/dbraw/zinc/30/49/53/378304953.db2.gz CDMVSAHLXKFIEB-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000582327894 378304955 /nfs/dbraw/zinc/30/49/55/378304955.db2.gz CDMVSAHLXKFIEB-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000582327894 378304958 /nfs/dbraw/zinc/30/49/58/378304958.db2.gz CDMVSAHLXKFIEB-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000582327894 378304962 /nfs/dbraw/zinc/30/49/62/378304962.db2.gz CDMVSAHLXKFIEB-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(C)c1 ZINC000582412736 378311183 /nfs/dbraw/zinc/31/11/83/378311183.db2.gz IMSRLRGMRKEFJN-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000582412736 378311186 /nfs/dbraw/zinc/31/11/86/378311186.db2.gz IMSRLRGMRKEFJN-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000582412736 378311189 /nfs/dbraw/zinc/31/11/89/378311189.db2.gz IMSRLRGMRKEFJN-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(C)c1 ZINC000582412736 378311196 /nfs/dbraw/zinc/31/11/96/378311196.db2.gz IMSRLRGMRKEFJN-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(C)c1 ZINC000582412736 378311198 /nfs/dbraw/zinc/31/11/98/378311198.db2.gz IMSRLRGMRKEFJN-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000583743491 378342906 /nfs/dbraw/zinc/34/29/06/378342906.db2.gz SINDTQNHZCQQPN-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000582235433 378295507 /nfs/dbraw/zinc/29/55/07/378295507.db2.gz KBLNBVHYNZTAKB-INIZCTEOSA-N 2 1 276.424 3.106 20 0 CGADMP CC[N@@H+](CCn1ccnc1C)Cc1cccc(Cl)c1 ZINC000270639241 378379346 /nfs/dbraw/zinc/37/93/46/378379346.db2.gz ITMMKJUEUGGUQJ-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1cccc(Cl)c1 ZINC000270639241 378379354 /nfs/dbraw/zinc/37/93/54/378379354.db2.gz ITMMKJUEUGGUQJ-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1cccc(Cl)c1 ZINC000270639241 378379360 /nfs/dbraw/zinc/37/93/60/378379360.db2.gz ITMMKJUEUGGUQJ-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@@H](C)C1 ZINC000271942018 378526076 /nfs/dbraw/zinc/52/60/76/378526076.db2.gz BYPZHYVURWIGJC-BARLLCKDSA-N 2 1 286.463 3.427 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000346146208 378478821 /nfs/dbraw/zinc/47/88/21/378478821.db2.gz HNVZBDFLKBDOJL-CQSZACIVSA-N 2 1 284.407 3.198 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc2cccnc12 ZINC000346143291 378479478 /nfs/dbraw/zinc/47/94/78/378479478.db2.gz QDWLMBDLLVXBQY-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc2cccnc12 ZINC000346143291 378479485 /nfs/dbraw/zinc/47/94/85/378479485.db2.gz QDWLMBDLLVXBQY-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc2cccnc12 ZINC000346143291 378479488 /nfs/dbraw/zinc/47/94/88/378479488.db2.gz QDWLMBDLLVXBQY-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2ccccc2n1 ZINC000271810891 378506799 /nfs/dbraw/zinc/50/67/99/378506799.db2.gz ARAPJONZEXCLBJ-CQSZACIVSA-N 2 1 281.403 3.147 20 0 CGADMP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CCn2ccnc2)cc1 ZINC000346315603 378539846 /nfs/dbraw/zinc/53/98/46/378539846.db2.gz UEYXWMXISIWHDN-QZTJIDSGSA-N 2 1 283.419 3.460 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000272754496 378699362 /nfs/dbraw/zinc/69/93/62/378699362.db2.gz OPJMFFQOQMNLBU-UHFFFAOYSA-N 2 1 298.402 3.353 20 0 CGADMP C[C@H]([NH2+]C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272574680 378668408 /nfs/dbraw/zinc/66/84/08/378668408.db2.gz VNRBNCWWTPWJAD-DOTOQJQBSA-N 2 1 272.436 3.429 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1F ZINC000272694475 378690069 /nfs/dbraw/zinc/69/00/69/378690069.db2.gz XOMIAFDJVGCIPQ-MRXNPFEDSA-N 2 1 262.372 3.128 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc2cccnc12 ZINC000346817815 378691367 /nfs/dbraw/zinc/69/13/67/378691367.db2.gz GCNYRHJIEHCXSD-KSZLIROESA-N 2 1 295.430 3.102 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000346602856 378642223 /nfs/dbraw/zinc/64/22/23/378642223.db2.gz LWCSCRRLGYANSF-HGTKMLMNSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347938374 378734812 /nfs/dbraw/zinc/73/48/12/378734812.db2.gz SGVIZSOGXNJOGT-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000346966110 378699636 /nfs/dbraw/zinc/69/96/36/378699636.db2.gz CNPBOSJFKYAAHE-JKIFEVAISA-N 2 1 276.399 3.208 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2csc(C)c2C)C1 ZINC000638131724 378712837 /nfs/dbraw/zinc/71/28/37/378712837.db2.gz DQDYZELGLBWHKO-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2csc(C)c2C)C1 ZINC000638131724 378712841 /nfs/dbraw/zinc/71/28/41/378712841.db2.gz DQDYZELGLBWHKO-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2csc(C)c2C)C1 ZINC000638131724 378712843 /nfs/dbraw/zinc/71/28/43/378712843.db2.gz DQDYZELGLBWHKO-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP CSC1(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000347840884 378726414 /nfs/dbraw/zinc/72/64/14/378726414.db2.gz FIXQTDLGOTYVIU-MRXNPFEDSA-N 2 1 296.524 3.326 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2ccccc2n1C ZINC000638336097 378771680 /nfs/dbraw/zinc/77/16/80/378771680.db2.gz YDNWEXDDEUXBTJ-CQSZACIVSA-N 2 1 296.418 3.109 20 0 CGADMP C[C@H](NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638409238 378793831 /nfs/dbraw/zinc/79/38/31/378793831.db2.gz WNPZZFHMZVOYFB-CRWXNKLISA-N 2 1 288.426 3.376 20 0 CGADMP C[C@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638409238 378793836 /nfs/dbraw/zinc/79/38/36/378793836.db2.gz WNPZZFHMZVOYFB-CRWXNKLISA-N 2 1 288.426 3.376 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccc(F)cc3F)C[C@H]21 ZINC000346844064 218033860 /nfs/dbraw/zinc/03/38/60/218033860.db2.gz YQPYQODVBCRZGG-OMECNRKGSA-N 2 1 292.373 3.037 20 0 CGADMP Clc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346843536 218034522 /nfs/dbraw/zinc/03/45/22/218034522.db2.gz JWRGCPBLSWYVAT-GOEBONIOSA-N 2 1 292.854 3.347 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CC(OCC)C1 ZINC000638566548 378838354 /nfs/dbraw/zinc/83/83/54/378838354.db2.gz LQNFVWNKVGLNNA-AQFXKWCLSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1CC(OCC)C1 ZINC000638566548 378838361 /nfs/dbraw/zinc/83/83/61/378838361.db2.gz LQNFVWNKVGLNNA-AQFXKWCLSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000566846654 322140244 /nfs/dbraw/zinc/14/02/44/322140244.db2.gz IITJVUSKEQMLNV-XJKSGUPXSA-N 2 1 280.843 3.202 20 0 CGADMP C[N@@H+](CCc1ccccc1F)CC[C@@H]1CCCC[NH+]1C ZINC000346973620 218074576 /nfs/dbraw/zinc/07/45/76/218074576.db2.gz YXOTUJYDVWHJQT-INIZCTEOSA-N 2 1 278.415 3.174 20 0 CGADMP C[N@H+](CCc1ccccc1F)CC[C@@H]1CCCC[NH+]1C ZINC000346973620 218074577 /nfs/dbraw/zinc/07/45/77/218074577.db2.gz YXOTUJYDVWHJQT-INIZCTEOSA-N 2 1 278.415 3.174 20 0 CGADMP C[NH+](CCc1ccccc1F)CC[C@@H]1CCCC[N@@H+]1C ZINC000346973620 218074578 /nfs/dbraw/zinc/07/45/78/218074578.db2.gz YXOTUJYDVWHJQT-INIZCTEOSA-N 2 1 278.415 3.174 20 0 CGADMP C[NH+](CCc1ccccc1F)CC[C@@H]1CCCC[N@H+]1C ZINC000346973620 218074579 /nfs/dbraw/zinc/07/45/79/218074579.db2.gz YXOTUJYDVWHJQT-INIZCTEOSA-N 2 1 278.415 3.174 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346989845 218081260 /nfs/dbraw/zinc/08/12/60/218081260.db2.gz SDZSCUJGAVIIBW-JKIFEVAISA-N 2 1 276.399 3.208 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cn1 ZINC000274902734 378916435 /nfs/dbraw/zinc/91/64/35/378916435.db2.gz LOGJMGSLGLXTIJ-FPMFFAJLSA-N 2 1 281.831 3.258 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274943863 378920489 /nfs/dbraw/zinc/92/04/89/378920489.db2.gz UASOQSWFZDQTAK-VXGBXAGGSA-N 2 1 292.814 3.227 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000347002331 218086952 /nfs/dbraw/zinc/08/69/52/218086952.db2.gz JETAUIUJKHCGOB-WMLDXEAASA-N 2 1 276.424 3.035 20 0 CGADMP COCC[N@@H+](CCCc1cnccc1C)[C@H]1CC[C@H](C)C1 ZINC000348414115 378947388 /nfs/dbraw/zinc/94/73/88/378947388.db2.gz UWNMQILEXVOGRZ-YJBOKZPZSA-N 2 1 290.451 3.460 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000347096494 218118558 /nfs/dbraw/zinc/11/85/58/218118558.db2.gz IAERDOULNIZUIK-CYBMUJFWSA-N 2 1 272.392 3.037 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@@H]1C[NH3+] ZINC000347100680 218121969 /nfs/dbraw/zinc/12/19/69/218121969.db2.gz JZSSYHAVSQFBAF-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@@H]1C[NH3+] ZINC000347100680 218121971 /nfs/dbraw/zinc/12/19/71/218121971.db2.gz JZSSYHAVSQFBAF-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000278584392 194056116 /nfs/dbraw/zinc/05/61/16/194056116.db2.gz QEUIAFDRUDMISM-HIFRSBDPSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000278584392 194056118 /nfs/dbraw/zinc/05/61/18/194056118.db2.gz QEUIAFDRUDMISM-HIFRSBDPSA-N 2 1 296.480 3.208 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000347158826 218140501 /nfs/dbraw/zinc/14/05/01/218140501.db2.gz FMTSRUPHRRUIFO-CYBMUJFWSA-N 2 1 272.417 3.196 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2F)o1)C1CC[NH2+]CC1 ZINC000347172135 218145112 /nfs/dbraw/zinc/14/51/12/218145112.db2.gz OFOSILKFOFMRSK-UHFFFAOYSA-N 2 1 288.366 3.270 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccc2F)o1)C1CC[NH2+]CC1 ZINC000347172135 218145117 /nfs/dbraw/zinc/14/51/17/218145117.db2.gz OFOSILKFOFMRSK-UHFFFAOYSA-N 2 1 288.366 3.270 20 0 CGADMP CC[C@@](C)(C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)OC ZINC000639110590 379034814 /nfs/dbraw/zinc/03/48/14/379034814.db2.gz PVGKMJCSKDUMRE-KRWDZBQOSA-N 2 1 292.423 3.048 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)CCCn1ccnc1 ZINC000276976304 379035394 /nfs/dbraw/zinc/03/53/94/379035394.db2.gz RYWOLGOZPWPZLI-DTQAZKPQSA-N 2 1 269.392 3.309 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)s1 ZINC000277055068 379056137 /nfs/dbraw/zinc/05/61/37/379056137.db2.gz CUGBCTAXNFLVTG-OAHLLOKOSA-N 2 1 266.454 3.281 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccs1 ZINC000277029894 379050263 /nfs/dbraw/zinc/05/02/63/379050263.db2.gz BAQPIBKDXGPAMQ-UHFFFAOYSA-N 2 1 277.437 3.419 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccs1 ZINC000277029894 379050266 /nfs/dbraw/zinc/05/02/66/379050266.db2.gz BAQPIBKDXGPAMQ-UHFFFAOYSA-N 2 1 277.437 3.419 20 0 CGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000348868989 379088590 /nfs/dbraw/zinc/08/85/90/379088590.db2.gz LWGXEBADILSMTN-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000639169580 379089979 /nfs/dbraw/zinc/08/99/79/379089979.db2.gz GALSOBNURDNFEI-DLBZAZTESA-N 2 1 286.463 3.111 20 0 CGADMP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000278768539 194147531 /nfs/dbraw/zinc/14/75/31/194147531.db2.gz OEEMQQRCXHLAJN-DLBZAZTESA-N 2 1 267.376 3.247 20 0 CGADMP Cn1c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc2ccccc21 ZINC000639244313 379187733 /nfs/dbraw/zinc/18/77/33/379187733.db2.gz KHEXJGWXTBNEPO-UHFFFAOYSA-N 2 1 285.435 3.142 20 0 CGADMP CCOc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277531652 379182511 /nfs/dbraw/zinc/18/25/11/379182511.db2.gz PXIJBVDBDNIROS-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277531652 379182518 /nfs/dbraw/zinc/18/25/18/379182518.db2.gz PXIJBVDBDNIROS-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000349379220 379259150 /nfs/dbraw/zinc/25/91/50/379259150.db2.gz BMNWTODYOSODLG-ZWKOTPCHSA-N 2 1 283.419 3.317 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000349379220 379259160 /nfs/dbraw/zinc/25/91/60/379259160.db2.gz BMNWTODYOSODLG-ZWKOTPCHSA-N 2 1 283.419 3.317 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C)ccc1OC ZINC000349406373 379269617 /nfs/dbraw/zinc/26/96/17/379269617.db2.gz LCKRSBIKMZFZKX-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)ccc1OC ZINC000349406373 379269627 /nfs/dbraw/zinc/26/96/27/379269627.db2.gz LCKRSBIKMZFZKX-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000349416117 379273964 /nfs/dbraw/zinc/27/39/64/379273964.db2.gz JFSSTYIAJJVPMF-HYXAFXHYSA-N 2 1 287.382 3.366 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000349416117 379273977 /nfs/dbraw/zinc/27/39/77/379273977.db2.gz JFSSTYIAJJVPMF-HYXAFXHYSA-N 2 1 287.382 3.366 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2c(cccc2F)[nH]1 ZINC000349420026 379277947 /nfs/dbraw/zinc/27/79/47/379277947.db2.gz PWHAHLWYYCCKPW-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cccc2F)[nH]1 ZINC000349420026 379277951 /nfs/dbraw/zinc/27/79/51/379277951.db2.gz PWHAHLWYYCCKPW-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C(C)C ZINC000373693827 379321272 /nfs/dbraw/zinc/32/12/72/379321272.db2.gz DJINMVYQVORMIM-FGTMMUONSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000349647821 379328955 /nfs/dbraw/zinc/32/89/55/379328955.db2.gz VVTHBERAIJBHMF-UHFFFAOYSA-N 2 1 282.391 3.079 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000374074544 379372164 /nfs/dbraw/zinc/37/21/64/379372164.db2.gz LKDICJUATZLIHK-UHFFFAOYSA-N 2 1 287.451 3.006 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000374293279 379411218 /nfs/dbraw/zinc/41/12/18/379411218.db2.gz IEUQTSIJHZOAMN-QAPCUYQASA-N 2 1 299.462 3.324 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(F)cc2F)CC[N@H+]1C ZINC000350047104 379488089 /nfs/dbraw/zinc/48/80/89/379488089.db2.gz HXVIYZJLKPSFLL-YUOQAEMBSA-N 2 1 280.362 3.050 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H](OC(C)C)C2)c(C)n1 ZINC000639720086 379560781 /nfs/dbraw/zinc/56/07/81/379560781.db2.gz USJDNURAZPBCDI-INIZCTEOSA-N 2 1 276.424 3.396 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754596 379570325 /nfs/dbraw/zinc/57/03/25/379570325.db2.gz CWFYACKBTPBLCJ-ZDUSSCGKSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(F)c3Cl)C2)CC1 ZINC000639755394 379570340 /nfs/dbraw/zinc/57/03/40/379570340.db2.gz JPHGLXBYCIUTEH-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000639755475 379570464 /nfs/dbraw/zinc/57/04/64/379570464.db2.gz MDUAFTZNVBJJGM-UHFFFAOYSA-N 2 1 286.410 3.230 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758216 379572825 /nfs/dbraw/zinc/57/28/25/379572825.db2.gz QLJRVSKQPLIBBU-AWEZNQCLSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000639904643 379637004 /nfs/dbraw/zinc/63/70/04/379637004.db2.gz XHCQPHOXSOVBCM-IAGOWNOFSA-N 2 1 269.392 3.117 20 0 CGADMP COc1cccc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1F ZINC000192956408 542270264 /nfs/dbraw/zinc/27/02/64/542270264.db2.gz WSUOZFUKIGJBDB-OAHLLOKOSA-N 2 1 294.414 3.141 20 0 CGADMP C[N@H+]1CC[C@H]2CCN(Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729281 379741718 /nfs/dbraw/zinc/74/17/18/379741718.db2.gz FOMPXKKMFAREBY-SWLSCSKDSA-N 2 1 298.352 3.231 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC[N@@H+]1C ZINC000280792094 379791407 /nfs/dbraw/zinc/79/14/07/379791407.db2.gz JRWGSZKKUMGLIB-APIJFGDWSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC[N@H+]1C ZINC000280792094 379791412 /nfs/dbraw/zinc/79/14/12/379791412.db2.gz JRWGSZKKUMGLIB-APIJFGDWSA-N 2 1 276.399 3.144 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000280687918 379763701 /nfs/dbraw/zinc/76/37/01/379763701.db2.gz ATCZOFCBAGQQNO-DDBAPUKQSA-N 2 1 272.436 3.253 20 0 CGADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000280731871 379775398 /nfs/dbraw/zinc/77/53/98/379775398.db2.gz GYZKVPHBPZQVPS-DKIMLUQUSA-N 2 1 288.410 3.288 20 0 CGADMP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc2s1 ZINC000352524558 379844585 /nfs/dbraw/zinc/84/45/85/379844585.db2.gz CAJWALWJMHCBGG-CQSZACIVSA-N 2 1 289.448 3.308 20 0 CGADMP Cc1csc(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640533259 379819514 /nfs/dbraw/zinc/81/95/14/379819514.db2.gz QGLVIIKQEOXKBR-UHFFFAOYSA-N 2 1 281.469 3.149 20 0 CGADMP Cc1csc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640533259 379819523 /nfs/dbraw/zinc/81/95/23/379819523.db2.gz QGLVIIKQEOXKBR-UHFFFAOYSA-N 2 1 281.469 3.149 20 0 CGADMP CCc1nc(C)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000640534680 379820277 /nfs/dbraw/zinc/82/02/77/379820277.db2.gz RQXVIPXNVDMUGS-UHFFFAOYSA-N 2 1 293.455 3.243 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(F)(F)F ZINC000640531356 379820316 /nfs/dbraw/zinc/82/03/16/379820316.db2.gz OKGJSHXKOHUIQQ-UHFFFAOYSA-N 2 1 266.351 3.137 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000282458989 379924876 /nfs/dbraw/zinc/92/48/76/379924876.db2.gz VNDQZIYCZZKZTF-GLJUWKHASA-N 2 1 285.435 3.029 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C)C[C@H]1C ZINC000352617330 379880597 /nfs/dbraw/zinc/88/05/97/379880597.db2.gz AWQPHSGEXQSFGP-RHSMWYFYSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C)C[C@H]1C ZINC000352617330 379880600 /nfs/dbraw/zinc/88/06/00/379880600.db2.gz AWQPHSGEXQSFGP-RHSMWYFYSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C)C[C@H]1C ZINC000352617330 379880604 /nfs/dbraw/zinc/88/06/04/379880604.db2.gz AWQPHSGEXQSFGP-RHSMWYFYSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C)C[C@H]1C ZINC000352617330 379880609 /nfs/dbraw/zinc/88/06/09/379880609.db2.gz AWQPHSGEXQSFGP-RHSMWYFYSA-N 2 1 278.415 3.439 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000388461225 379888525 /nfs/dbraw/zinc/88/85/25/379888525.db2.gz BCSRYLBKXNYHLV-GVDBMIGSSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000388461225 379888529 /nfs/dbraw/zinc/88/85/29/379888529.db2.gz BCSRYLBKXNYHLV-GVDBMIGSSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000389014716 379891653 /nfs/dbraw/zinc/89/16/53/379891653.db2.gz XOKBSALYFSDFAH-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C)cc1 ZINC000401752906 379958690 /nfs/dbraw/zinc/95/86/90/379958690.db2.gz YZWPBIBCDNYOFM-MRXNPFEDSA-N 2 1 257.381 3.012 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC000409446017 380034128 /nfs/dbraw/zinc/03/41/28/380034128.db2.gz AWZCKYLSKAQCNW-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC000409446017 380034135 /nfs/dbraw/zinc/03/41/35/380034135.db2.gz AWZCKYLSKAQCNW-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000409446017 380034143 /nfs/dbraw/zinc/03/41/43/380034143.db2.gz AWZCKYLSKAQCNW-NVXWUHKLSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000414191353 380200332 /nfs/dbraw/zinc/20/03/32/380200332.db2.gz RVVRNBAOHZZFNZ-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000353935198 380244607 /nfs/dbraw/zinc/24/46/07/380244607.db2.gz ZIBUAXHRFQDGLG-NVXWUHKLSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000353935198 380244612 /nfs/dbraw/zinc/24/46/12/380244612.db2.gz ZIBUAXHRFQDGLG-NVXWUHKLSA-N 2 1 289.467 3.033 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C[C@@H]1OC ZINC000353612517 380215362 /nfs/dbraw/zinc/21/53/62/380215362.db2.gz JSMXLRAWRWGTIM-HHARLNAUSA-N 2 1 294.483 3.043 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000354108291 380329139 /nfs/dbraw/zinc/32/91/39/380329139.db2.gz UPVVDQWAWDOLCX-CQSZACIVSA-N 2 1 294.389 3.129 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521463 380335254 /nfs/dbraw/zinc/33/52/54/380335254.db2.gz JFCFFUVJMKSFGC-DGCLKSJQSA-N 2 1 282.815 3.141 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccccc2)C[C@H]1C ZINC000354205270 380364229 /nfs/dbraw/zinc/36/42/29/380364229.db2.gz HTCVQNCREUJFAE-IAGOWNOFSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccccc2)C[C@H]1C ZINC000354205270 380364234 /nfs/dbraw/zinc/36/42/34/380364234.db2.gz HTCVQNCREUJFAE-IAGOWNOFSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2ccccc2)C[C@H]1C ZINC000354205270 380364238 /nfs/dbraw/zinc/36/42/38/380364238.db2.gz HTCVQNCREUJFAE-IAGOWNOFSA-N 2 1 290.451 3.260 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)oc1C ZINC000643548878 380364886 /nfs/dbraw/zinc/36/48/86/380364886.db2.gz WSZPUXLBUOSMJM-TZMCWYRMSA-N 2 1 262.397 3.222 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)oc1C ZINC000643548876 380365182 /nfs/dbraw/zinc/36/51/82/380365182.db2.gz WSZPUXLBUOSMJM-JSGCOSHPSA-N 2 1 262.397 3.222 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)CCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414674256 380366024 /nfs/dbraw/zinc/36/60/24/380366024.db2.gz DKTVEUOQOWTSLW-UONOGXRCSA-N 2 1 296.842 3.039 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414676565 380366988 /nfs/dbraw/zinc/36/69/88/380366988.db2.gz NVOJCEDLFXQRKE-HOCLYGCPSA-N 2 1 278.415 3.424 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2)C[C@H]1C ZINC000354222740 380367061 /nfs/dbraw/zinc/36/70/61/380367061.db2.gz MHTIFODNXUMHJR-GDBMZVCRSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225698 380370169 /nfs/dbraw/zinc/37/01/69/380370169.db2.gz SXGFCPCRZUXQEI-UONOGXRCSA-N 2 1 287.407 3.132 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414696595 380378142 /nfs/dbraw/zinc/37/81/42/380378142.db2.gz BAIKPUNRFOHCKG-KYHPRHEASA-N 2 1 272.436 3.253 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000414700703 380379901 /nfs/dbraw/zinc/37/99/01/380379901.db2.gz VBALWYNYFQGAPG-JKSUJKDBSA-N 2 1 290.451 3.132 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414712001 380383652 /nfs/dbraw/zinc/38/36/52/380383652.db2.gz IMWCSPHZGDINLC-CYBMUJFWSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000414716919 380385196 /nfs/dbraw/zinc/38/51/96/380385196.db2.gz PEEQRKRTOXPJQB-BZSNNMDCSA-N 2 1 272.436 3.254 20 0 CGADMP [NH3+]CCC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000414718555 380387061 /nfs/dbraw/zinc/38/70/61/380387061.db2.gz ZHZMPFUHCWDKAC-SFHVURJKSA-N 2 1 266.388 3.135 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000643886607 380392172 /nfs/dbraw/zinc/39/21/72/380392172.db2.gz ISTMZPUFQMDMME-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3[nH]ccc3c2)CC[N@H+]1C ZINC000643886607 380392179 /nfs/dbraw/zinc/39/21/79/380392179.db2.gz ISTMZPUFQMDMME-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3[nH]ccc3c2)CC[NH+]1C ZINC000643886607 380392185 /nfs/dbraw/zinc/39/21/85/380392185.db2.gz ISTMZPUFQMDMME-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3[nH]ccc3c2)CC[NH+]1C ZINC000643886607 380392189 /nfs/dbraw/zinc/39/21/89/380392189.db2.gz ISTMZPUFQMDMME-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP [NH3+]CCC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000414761194 380394204 /nfs/dbraw/zinc/39/42/04/380394204.db2.gz SKQNRASWIQKEKH-LJQANCHMSA-N 2 1 280.415 3.177 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000643526844 380342491 /nfs/dbraw/zinc/34/24/91/380342491.db2.gz AMFDPHYGQUNDTD-IINYFYTJSA-N 2 1 252.789 3.044 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000643527043 380343281 /nfs/dbraw/zinc/34/32/81/380343281.db2.gz CGCSVLJUWVLKKB-PXAZEXFGSA-N 2 1 290.357 3.185 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1Cl ZINC000643527003 380343330 /nfs/dbraw/zinc/34/33/30/380343330.db2.gz JPLFXLWLGZRGAZ-GHMZBOCLSA-N 2 1 270.804 3.125 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000643529928 380346705 /nfs/dbraw/zinc/34/67/05/380346705.db2.gz YGCVKWGYTUWCAX-YGRLFVJLSA-N 2 1 297.240 3.153 20 0 CGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643529020 380347124 /nfs/dbraw/zinc/34/71/24/380347124.db2.gz SSOJQYPEIIKDKX-ZIAGYGMSSA-N 2 1 284.403 3.360 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414652744 380352859 /nfs/dbraw/zinc/35/28/59/380352859.db2.gz HBTKXKAGHXVDFR-UPTPFMHGSA-N 2 1 272.436 3.241 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)C1CCCC1 ZINC000643543506 380358135 /nfs/dbraw/zinc/35/81/35/380358135.db2.gz POUMQNYNXZFTGQ-ZWKOTPCHSA-N 2 1 272.436 3.041 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414662019 380358167 /nfs/dbraw/zinc/35/81/67/380358167.db2.gz PLKFGYJLDWSABE-YPMHNXCESA-N 2 1 286.341 3.183 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414670311 380362146 /nfs/dbraw/zinc/36/21/46/380362146.db2.gz CYLAKOBGAYFBPC-AGIUHOORSA-N 2 1 282.378 3.346 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414813746 380425588 /nfs/dbraw/zinc/42/55/88/380425588.db2.gz YQJCZUFZQQSZCA-LJQANCHMSA-N 2 1 280.415 3.489 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC000414833412 380441863 /nfs/dbraw/zinc/44/18/63/380441863.db2.gz FMBVHOFZACPXTH-SJORKVTESA-N 2 1 292.854 3.304 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@H](C)CCc1ccccc1 ZINC000414856373 380458310 /nfs/dbraw/zinc/45/83/10/380458310.db2.gz YTFMOMRLICNHSQ-WBVHZDCISA-N 2 1 262.441 3.218 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C(F)(F)F ZINC000414772303 380398747 /nfs/dbraw/zinc/39/87/47/380398747.db2.gz QUWXOJJQKZYIFZ-ZIAGYGMSSA-N 2 1 298.352 3.055 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414784552 380403170 /nfs/dbraw/zinc/40/31/70/380403170.db2.gz RKZPRVMMNMYNCD-YRXWBPOGSA-N 2 1 284.447 3.112 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782251 380403562 /nfs/dbraw/zinc/40/35/62/380403562.db2.gz ODCTZBDYEORAHH-BHIYHBOVSA-N 2 1 286.463 3.187 20 0 CGADMP C[C@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(C)(C)C ZINC000643973663 380404076 /nfs/dbraw/zinc/40/40/76/380404076.db2.gz YTZUTOCDRGWNPS-ZIAGYGMSSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000348118066 218465467 /nfs/dbraw/zinc/46/54/67/218465467.db2.gz DZOQTSACVHQHCW-SNPRPXQTSA-N 2 1 263.429 3.242 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCc1c(Cl)cccc1Cl)C1CC1 ZINC000414804103 380416760 /nfs/dbraw/zinc/41/67/60/380416760.db2.gz KPAICWFKXPSZDA-AWEZNQCLSA-N 2 1 287.234 3.253 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000414908398 380485712 /nfs/dbraw/zinc/48/57/12/380485712.db2.gz BHTXWTIBSXPUJY-KBPBESRZSA-N 2 1 287.432 3.170 20 0 CGADMP Cc1ccc(-c2ccc(C[NH2+][C@H](C)C[NH3+])s2)cc1 ZINC000414922750 380489327 /nfs/dbraw/zinc/48/93/27/380489327.db2.gz CZVSBNYQZMCXPV-GFCCVEGCSA-N 2 1 260.406 3.160 20 0 CGADMP C[C@@H](CCc1ccsc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415067053 380507381 /nfs/dbraw/zinc/50/73/81/380507381.db2.gz OVVLIJFOGGTAOI-SWLSCSKDSA-N 2 1 266.454 3.176 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000414860200 380462041 /nfs/dbraw/zinc/46/20/41/380462041.db2.gz OVRZRIWPLQWMJD-HNNXBMFYSA-N 2 1 275.440 3.120 20 0 CGADMP CCC[NH2+]CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414868365 380466581 /nfs/dbraw/zinc/46/65/81/380466581.db2.gz KAKDOBGRMBRKPV-GFCCVEGCSA-N 2 1 254.805 3.033 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000414894939 380478102 /nfs/dbraw/zinc/47/81/02/380478102.db2.gz MBXGZZMPHFNTTP-GFCCVEGCSA-N 2 1 292.732 3.186 20 0 CGADMP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCn1ccnc1 ZINC000354834968 380558382 /nfs/dbraw/zinc/55/83/82/380558382.db2.gz WLWRAWOMJNRAAM-QWHCGFSZSA-N 2 1 273.355 3.030 20 0 CGADMP Cc1[nH]c2nc[nH+]c(NC(C)(C)CCC[NH+](C)C)c2c1C ZINC000645253781 380634697 /nfs/dbraw/zinc/63/46/97/380634697.db2.gz ZWVCAZAWCBVITO-UHFFFAOYSA-N 2 1 289.427 3.107 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000417339567 380598511 /nfs/dbraw/zinc/59/85/11/380598511.db2.gz OISNMJWFQYQHPA-KBAYOESNSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000417339567 380598520 /nfs/dbraw/zinc/59/85/20/380598520.db2.gz OISNMJWFQYQHPA-KBAYOESNSA-N 2 1 284.447 3.429 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000645474377 380687148 /nfs/dbraw/zinc/68/71/48/380687148.db2.gz OAKPDLWGHCTBLU-YHUYYLMFSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419337976 380808607 /nfs/dbraw/zinc/80/86/07/380808607.db2.gz RPMWDXONYHEOJT-LSDHHAIUSA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419337976 380808615 /nfs/dbraw/zinc/80/86/15/380808615.db2.gz RPMWDXONYHEOJT-LSDHHAIUSA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419343286 380810707 /nfs/dbraw/zinc/81/07/07/380810707.db2.gz QPONCPJFJQRAJD-CYBMUJFWSA-N 2 1 269.392 3.420 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420302826 380845747 /nfs/dbraw/zinc/84/57/47/380845747.db2.gz CCSNZMUJWRUERK-DYVFJYSZSA-N 2 1 276.399 3.264 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420313181 380848059 /nfs/dbraw/zinc/84/80/59/380848059.db2.gz XRCJGGOCYPKAKT-HZPDHXFCSA-N 2 1 252.446 3.134 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327200 380848677 /nfs/dbraw/zinc/84/86/77/380848677.db2.gz KZDKAVGLIQRZFJ-LMMKCTJWSA-N 2 1 284.447 3.386 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1 ZINC000356829011 380888971 /nfs/dbraw/zinc/88/89/71/380888971.db2.gz CRJUHUFFHTXYDN-YJBOKZPZSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCOCC1 ZINC000358466076 381310953 /nfs/dbraw/zinc/31/09/53/381310953.db2.gz ILSZPVLWCSZLHY-YQQAZPJKSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000360235102 381493413 /nfs/dbraw/zinc/49/34/13/381493413.db2.gz RQTCDFRJZKNGGU-LSDHHAIUSA-N 2 1 288.435 3.099 20 0 CGADMP c1ccc(C2CC2)c(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227123041 542292615 /nfs/dbraw/zinc/29/26/15/542292615.db2.gz FTEJOAJNCQHGEQ-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000227123041 542292618 /nfs/dbraw/zinc/29/26/18/542292618.db2.gz FTEJOAJNCQHGEQ-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227123041 542292620 /nfs/dbraw/zinc/29/26/20/542292620.db2.gz FTEJOAJNCQHGEQ-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227123041 542292624 /nfs/dbraw/zinc/29/26/24/542292624.db2.gz FTEJOAJNCQHGEQ-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362516484 382031054 /nfs/dbraw/zinc/03/10/54/382031054.db2.gz QEYKRLBTGBUMAV-LSDHHAIUSA-N 2 1 284.806 3.442 20 0 CGADMP Cc1cc(C)c2c(c1)C[NH+](CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000362595475 382072201 /nfs/dbraw/zinc/07/22/01/382072201.db2.gz DBYAGGHLVNIYFP-QGZVFWFLSA-N 2 1 272.436 3.146 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000362595475 382072208 /nfs/dbraw/zinc/07/22/08/382072208.db2.gz DBYAGGHLVNIYFP-QGZVFWFLSA-N 2 1 272.436 3.146 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000362595475 382072213 /nfs/dbraw/zinc/07/22/13/382072213.db2.gz DBYAGGHLVNIYFP-QGZVFWFLSA-N 2 1 272.436 3.146 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363795114 382257131 /nfs/dbraw/zinc/25/71/31/382257131.db2.gz YAQWVBKLJJIQKW-PVAVHDDUSA-N 2 1 290.426 3.363 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412648 542349673 /nfs/dbraw/zinc/34/96/73/542349673.db2.gz AJVKBISMWNKRRL-DOTOQJQBSA-N 2 1 290.476 3.373 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412648 542349676 /nfs/dbraw/zinc/34/96/76/542349676.db2.gz AJVKBISMWNKRRL-DOTOQJQBSA-N 2 1 290.476 3.373 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252418034 542349997 /nfs/dbraw/zinc/34/99/97/542349997.db2.gz URQIABYXTKLWAP-YXJHDRRASA-N 2 1 288.435 3.220 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1cccc(O)c1 ZINC000414747837 285033944 /nfs/dbraw/zinc/03/39/44/285033944.db2.gz NETKIOKETLRCMF-RBSFLKMASA-N 2 1 276.424 3.163 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280960632 195046049 /nfs/dbraw/zinc/04/60/49/195046049.db2.gz UVJSCTNLPNEKKK-KRWDZBQOSA-N 2 1 284.407 3.108 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccs2)C[C@@H]1C ZINC000353751180 220306825 /nfs/dbraw/zinc/30/68/25/220306825.db2.gz IYOUFZLNIPQXMN-QWHCGFSZSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccs2)C[C@@H]1C ZINC000353751180 220306827 /nfs/dbraw/zinc/30/68/27/220306827.db2.gz IYOUFZLNIPQXMN-QWHCGFSZSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccs2)C[C@@H]1C ZINC000353751180 220306831 /nfs/dbraw/zinc/30/68/31/220306831.db2.gz IYOUFZLNIPQXMN-QWHCGFSZSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccs2)C[C@@H]1C ZINC000353751180 220306833 /nfs/dbraw/zinc/30/68/33/220306833.db2.gz IYOUFZLNIPQXMN-QWHCGFSZSA-N 2 1 252.427 3.053 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000276742057 542375701 /nfs/dbraw/zinc/37/57/01/542375701.db2.gz ZHHYGJUNLAPRIT-KRWDZBQOSA-N 2 1 269.392 3.012 20 0 CGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncc[nH]2)c1 ZINC000285906380 542388906 /nfs/dbraw/zinc/38/89/06/542388906.db2.gz CZZFUGNKDVWSAL-AWEZNQCLSA-N 2 1 286.423 3.101 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncc[nH]2)c1 ZINC000285906380 542388909 /nfs/dbraw/zinc/38/89/09/542388909.db2.gz CZZFUGNKDVWSAL-AWEZNQCLSA-N 2 1 286.423 3.101 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000289204945 197262052 /nfs/dbraw/zinc/26/20/52/197262052.db2.gz JYIYNRJIXSKFMH-MLGOLLRUSA-N 2 1 255.365 3.030 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423260665 533111406 /nfs/dbraw/zinc/11/14/06/533111406.db2.gz HZBCFUURRDIPIW-DYVFJYSZSA-N 2 1 276.424 3.253 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1F ZINC000423267528 533131476 /nfs/dbraw/zinc/13/14/76/533131476.db2.gz TWYPLPJVXURDOK-LRDDRELGSA-N 2 1 294.414 3.393 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000290162628 542401331 /nfs/dbraw/zinc/40/13/31/542401331.db2.gz XREWBZISWHUGGY-INIZCTEOSA-N 2 1 289.398 3.479 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000414082981 533174546 /nfs/dbraw/zinc/17/45/46/533174546.db2.gz WONFLGVRJAVRCQ-BMGDILEWSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000414082981 533174553 /nfs/dbraw/zinc/17/45/53/533174553.db2.gz WONFLGVRJAVRCQ-BMGDILEWSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423438626 533179730 /nfs/dbraw/zinc/17/97/30/533179730.db2.gz HCVJYRLVGROYJY-CPUCHLNUSA-N 2 1 278.440 3.498 20 0 CGADMP C[N@@H+](CCC[NH2+]CC1(C)CCC1)Cc1ccccc1 ZINC000309829852 542427282 /nfs/dbraw/zinc/42/72/82/542427282.db2.gz CFMYVAYRARHNJF-UHFFFAOYSA-N 2 1 260.425 3.288 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)CC[NH2+]1 ZINC000414763495 297399909 /nfs/dbraw/zinc/39/99/09/297399909.db2.gz XOBQLHDYFVOLHL-FDYHWXHSSA-N 2 1 278.362 3.037 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CC[C@@H]1C1CC1)Cc1ccccc1 ZINC000348100716 542515766 /nfs/dbraw/zinc/51/57/66/542515766.db2.gz GHOKJZGPRNGWJQ-MSOLQXFVSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000414069096 533339789 /nfs/dbraw/zinc/33/97/89/533339789.db2.gz RHVAGKNWPXIULM-GPMSIDNRSA-N 2 1 286.463 3.328 20 0 CGADMP COc1ccc2oc(C[NH2+]CC3([NH3+])CCCCC3)cc2c1 ZINC000414848399 533356253 /nfs/dbraw/zinc/35/62/53/533356253.db2.gz VXJWIBMFHXHGBX-UHFFFAOYSA-N 2 1 288.391 3.193 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423317570 533438595 /nfs/dbraw/zinc/43/85/95/533438595.db2.gz BULJVTSFIRCMRI-CXAGYDPISA-N 2 1 272.392 3.473 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000386105755 542603524 /nfs/dbraw/zinc/60/35/24/542603524.db2.gz SIVIROZLUZENEK-FZKCQIBNSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000388349424 542605368 /nfs/dbraw/zinc/60/53/68/542605368.db2.gz PLNVDLUGIVYALP-GOSISDBHSA-N 2 1 292.426 3.322 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1F ZINC000191521872 130249543 /nfs/dbraw/zinc/24/95/43/130249543.db2.gz KWWKWBONHVPWPF-UHFFFAOYSA-N 2 1 289.398 3.497 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1F ZINC000191521872 130249547 /nfs/dbraw/zinc/24/95/47/130249547.db2.gz KWWKWBONHVPWPF-UHFFFAOYSA-N 2 1 289.398 3.497 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414699000 542638564 /nfs/dbraw/zinc/63/85/64/542638564.db2.gz DROVBBDCEUNSSH-BXUZGUMPSA-N 2 1 286.341 3.437 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000052336923 392075848 /nfs/dbraw/zinc/07/58/48/392075848.db2.gz GIOBJTNXUBGYOL-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000053375455 392084669 /nfs/dbraw/zinc/08/46/69/392084669.db2.gz VTMBQLMVMYPQIE-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000053375455 392084676 /nfs/dbraw/zinc/08/46/76/392084676.db2.gz VTMBQLMVMYPQIE-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000078617776 392219654 /nfs/dbraw/zinc/21/96/54/392219654.db2.gz FJLJXYXLXBVMNM-ZDUSSCGKSA-N 2 1 289.810 3.419 20 0 CGADMP Clc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868752 392311973 /nfs/dbraw/zinc/31/19/73/392311973.db2.gz WCMXYBVCBCMJDQ-HUUCEWRRSA-N 2 1 264.800 3.056 20 0 CGADMP Clc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868752 392311975 /nfs/dbraw/zinc/31/19/75/392311975.db2.gz WCMXYBVCBCMJDQ-HUUCEWRRSA-N 2 1 264.800 3.056 20 0 CGADMP CC[C@@H]1CC[NH+]([C@@H](C)CC[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000431613834 542652990 /nfs/dbraw/zinc/65/29/90/542652990.db2.gz JRVMTFZMSZJBFL-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000431613834 542652992 /nfs/dbraw/zinc/65/29/92/542652992.db2.gz JRVMTFZMSZJBFL-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@@H](CC)C2)C1 ZINC000431613834 542652994 /nfs/dbraw/zinc/65/29/94/542652994.db2.gz JRVMTFZMSZJBFL-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000282043034 392276791 /nfs/dbraw/zinc/27/67/91/392276791.db2.gz LOLLMQLSPOIGTF-GFCCVEGCSA-N 2 1 275.421 3.264 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000237578242 131043833 /nfs/dbraw/zinc/04/38/33/131043833.db2.gz AMMATVGEELCMHO-DVOMOZLQSA-N 2 1 287.407 3.334 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cccs1 ZINC000245602676 131088277 /nfs/dbraw/zinc/08/82/77/131088277.db2.gz JFLFGCPVNLMBEG-KGLIPLIRSA-N 2 1 264.438 3.369 20 0 CGADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453257094 542681510 /nfs/dbraw/zinc/68/15/10/542681510.db2.gz UTBTUECZFMTGCV-KSZLIROESA-N 2 1 290.451 3.227 20 0 CGADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453257094 542681514 /nfs/dbraw/zinc/68/15/14/542681514.db2.gz UTBTUECZFMTGCV-KSZLIROESA-N 2 1 290.451 3.227 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C)cc1 ZINC000368001681 392484810 /nfs/dbraw/zinc/48/48/10/392484810.db2.gz ZJAGQQOAQQDPSU-LSDHHAIUSA-N 2 1 269.392 3.316 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000647497764 392740913 /nfs/dbraw/zinc/74/09/13/392740913.db2.gz UEESPMZTYAJETG-GDBMZVCRSA-N 2 1 278.465 3.358 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC[C@@H]1[NH3+] ZINC000647498193 392743029 /nfs/dbraw/zinc/74/30/29/392743029.db2.gz CMCCJYFZMAGDSH-NHYWBVRUSA-N 2 1 276.355 3.131 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC[NH2+]C1 ZINC000647513688 392746524 /nfs/dbraw/zinc/74/65/24/392746524.db2.gz YOLPFHAJIPPSAZ-RDTXWAMCSA-N 2 1 299.418 3.007 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534185 392755416 /nfs/dbraw/zinc/75/54/16/392755416.db2.gz IIHACOBPTIZDSE-OKZBNKHCSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534185 392755419 /nfs/dbraw/zinc/75/54/19/392755419.db2.gz IIHACOBPTIZDSE-OKZBNKHCSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542721 392760147 /nfs/dbraw/zinc/76/01/47/392760147.db2.gz AOBJXZBIIRKTKY-MSOLQXFVSA-N 2 1 272.436 3.207 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647543581 392760587 /nfs/dbraw/zinc/76/05/87/392760587.db2.gz PUSYNEVHUOEVMQ-KBPBESRZSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543732 392760682 /nfs/dbraw/zinc/76/06/82/392760682.db2.gz RMVHMSFJPQYQEV-ZIAGYGMSSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543729 392761037 /nfs/dbraw/zinc/76/10/37/392761037.db2.gz RMVHMSFJPQYQEV-KBPBESRZSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544291 392762373 /nfs/dbraw/zinc/76/23/73/392762373.db2.gz YZKHPEOVSFQHHN-WMZOPIPTSA-N 2 1 272.436 3.207 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000509638426 392762558 /nfs/dbraw/zinc/76/25/58/392762558.db2.gz XCZCIARLXGAFDJ-OAHLLOKOSA-N 2 1 290.451 3.177 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000375887796 392836893 /nfs/dbraw/zinc/83/68/93/392836893.db2.gz JNEYITXWCRDUKC-KFWWJZLASA-N 2 1 264.438 3.019 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000647950164 392839234 /nfs/dbraw/zinc/83/92/34/392839234.db2.gz PNVZAKQLVUBXSH-QGZVFWFLSA-N 2 1 287.451 3.137 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000647950164 392839238 /nfs/dbraw/zinc/83/92/38/392839238.db2.gz PNVZAKQLVUBXSH-QGZVFWFLSA-N 2 1 287.451 3.137 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1cccs1 ZINC000375897335 392839468 /nfs/dbraw/zinc/83/94/68/392839468.db2.gz GUKDYBMPDMIGPG-RKTXRCNFSA-N 2 1 292.492 3.389 20 0 CGADMP c1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2o1 ZINC000375661469 392800969 /nfs/dbraw/zinc/80/09/69/392800969.db2.gz VKIFLAMWIVYCBC-CVEARBPZSA-N 2 1 270.376 3.149 20 0 CGADMP Fc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000647802662 392804902 /nfs/dbraw/zinc/80/49/02/392804902.db2.gz SDMXZFYFCPRFKK-PBWFPOADSA-N 2 1 274.383 3.078 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c(C)s1 ZINC000647803179 392805086 /nfs/dbraw/zinc/80/50/86/392805086.db2.gz KMLPBTGDXUJQSB-SNVBAGLBSA-N 2 1 275.421 3.069 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000375705397 392807585 /nfs/dbraw/zinc/80/75/85/392807585.db2.gz QCHOKQUGFFAVQR-HAGHYFMRSA-N 2 1 298.474 3.329 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815287 392808682 /nfs/dbraw/zinc/80/86/82/392808682.db2.gz XNNRFZJHNDRZHE-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CC[C@H](Nc2[nH+]ccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000647873804 392818679 /nfs/dbraw/zinc/81/86/79/392818679.db2.gz IBQFAVAMQWNBOX-DLBZAZTESA-N 2 1 292.386 3.420 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000647871143 392819279 /nfs/dbraw/zinc/81/92/79/392819279.db2.gz PMIVZTGLMYBGGQ-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP Fc1cccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647879560 392821427 /nfs/dbraw/zinc/82/14/27/392821427.db2.gz PBSFQRJCRJAVND-OAHLLOKOSA-N 2 1 276.399 3.180 20 0 CGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647886665 392826922 /nfs/dbraw/zinc/82/69/22/392826922.db2.gz GXBQLOJLVYCIJK-BQFCYCMXSA-N 2 1 272.436 3.378 20 0 CGADMP Fc1cccc([C@H]2CC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000647890186 392829504 /nfs/dbraw/zinc/82/95/04/392829504.db2.gz YLPQLFWPYVZGGP-QGZVFWFLSA-N 2 1 276.399 3.352 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000375998213 392850926 /nfs/dbraw/zinc/85/09/26/392850926.db2.gz FPFRKQVXYLBSPR-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647990197 392858267 /nfs/dbraw/zinc/85/82/67/392858267.db2.gz FAFROCONCXZGIY-UXLLHSPISA-N 2 1 288.435 3.078 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647989162 392858281 /nfs/dbraw/zinc/85/82/81/392858281.db2.gz RMZDPJIGRZSCLU-RDJZCZTQSA-N 2 1 258.409 3.050 20 0 CGADMP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000647991892 392859090 /nfs/dbraw/zinc/85/90/90/392859090.db2.gz AIAHKUYXUMXJSC-ZWNOBZJWSA-N 2 1 290.304 3.018 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000519674156 392880689 /nfs/dbraw/zinc/88/06/89/392880689.db2.gz WHUPDEJGMXRPBX-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000519674156 392880693 /nfs/dbraw/zinc/88/06/93/392880693.db2.gz WHUPDEJGMXRPBX-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000519674156 392880696 /nfs/dbraw/zinc/88/06/96/392880696.db2.gz WHUPDEJGMXRPBX-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000459490783 392945618 /nfs/dbraw/zinc/94/56/18/392945618.db2.gz YUAVANVYQSDBIW-IRXDYDNUSA-N 2 1 262.441 3.172 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000525869795 542740697 /nfs/dbraw/zinc/74/06/97/542740697.db2.gz YONDZOLVGXMPRT-KBPBESRZSA-N 2 1 266.404 3.249 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000195135571 392958008 /nfs/dbraw/zinc/95/80/08/392958008.db2.gz AHXXDLVCLMAWML-WBVHZDCISA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340186684 392965361 /nfs/dbraw/zinc/96/53/61/392965361.db2.gz MYSSCLPTLZVYQV-OALUTQOASA-N 2 1 295.430 3.315 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340186684 392965363 /nfs/dbraw/zinc/96/53/63/392965363.db2.gz MYSSCLPTLZVYQV-OALUTQOASA-N 2 1 295.430 3.315 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCC2)C[C@H]1c1ccccc1 ZINC000340194627 392968382 /nfs/dbraw/zinc/96/83/82/392968382.db2.gz AEAOTNXWQGHWNL-SJORKVTESA-N 2 1 258.409 3.212 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCC2)C[C@H]1c1ccccc1 ZINC000340194627 392968387 /nfs/dbraw/zinc/96/83/87/392968387.db2.gz AEAOTNXWQGHWNL-SJORKVTESA-N 2 1 258.409 3.212 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000340376334 392972040 /nfs/dbraw/zinc/97/20/40/392972040.db2.gz ZGDXMKYWGCWRJJ-PVAVHDDUSA-N 2 1 290.476 3.165 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000340376334 392972046 /nfs/dbraw/zinc/97/20/46/392972046.db2.gz ZGDXMKYWGCWRJJ-PVAVHDDUSA-N 2 1 290.476 3.165 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C[C@@H]1c1ccccc1 ZINC000340376330 392972184 /nfs/dbraw/zinc/97/21/84/392972184.db2.gz ZGDXMKYWGCWRJJ-BHYGNILZSA-N 2 1 290.476 3.165 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C[C@@H]1c1ccccc1 ZINC000340376330 392972187 /nfs/dbraw/zinc/97/21/87/392972187.db2.gz ZGDXMKYWGCWRJJ-BHYGNILZSA-N 2 1 290.476 3.165 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000648433253 393014598 /nfs/dbraw/zinc/01/45/98/393014598.db2.gz VUMWBYRNHOPGGS-YYIAUSFCSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000648452224 393023307 /nfs/dbraw/zinc/02/33/07/393023307.db2.gz ODRWXHYEZIWNKA-ZWKOTPCHSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000415003350 393088104 /nfs/dbraw/zinc/08/81/04/393088104.db2.gz FVMJXYQKSGIDSS-RYUDHWBXSA-N 2 1 260.406 3.240 20 0 CGADMP COc1ccc2cc(C[N@H+](C)CC(C)(C)[NH3+])ccc2c1 ZINC000346814093 393095106 /nfs/dbraw/zinc/09/51/06/393095106.db2.gz BMWFLGRRDCFGEN-UHFFFAOYSA-N 2 1 272.392 3.018 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc2c1 ZINC000346814093 393095117 /nfs/dbraw/zinc/09/51/17/393095117.db2.gz BMWFLGRRDCFGEN-UHFFFAOYSA-N 2 1 272.392 3.018 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346990762 393098201 /nfs/dbraw/zinc/09/82/01/393098201.db2.gz SPXQCTCMXRLQAL-HIFRSBDPSA-N 2 1 278.827 3.129 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000467421681 393098527 /nfs/dbraw/zinc/09/85/27/393098527.db2.gz YSVOWJJZYLLVQL-OVWQWFNUSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000467421681 393098530 /nfs/dbraw/zinc/09/85/30/393098530.db2.gz YSVOWJJZYLLVQL-OVWQWFNUSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@H]3CC[N@@H+](C(C)C)C3)[nH+]c2c1 ZINC000547304363 393102686 /nfs/dbraw/zinc/10/26/86/393102686.db2.gz OLZHIBHSYWSQGT-MRXNPFEDSA-N 2 1 297.446 3.416 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@H]3CC[N@H+](C(C)C)C3)[nH+]c2c1 ZINC000547304363 393102690 /nfs/dbraw/zinc/10/26/90/393102690.db2.gz OLZHIBHSYWSQGT-MRXNPFEDSA-N 2 1 297.446 3.416 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2c(C)cccc2C)CC1 ZINC000546226259 393040818 /nfs/dbraw/zinc/04/08/18/393040818.db2.gz LQUYNUVBQXVWDA-HNNXBMFYSA-N 2 1 260.425 3.438 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414176075 393042190 /nfs/dbraw/zinc/04/21/90/393042190.db2.gz IXQGKKOZJPQOGO-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(OC(F)F)cc1C ZINC000414949922 393057923 /nfs/dbraw/zinc/05/79/23/393057923.db2.gz OAXANQDLYJUUCV-GXTWGEPZSA-N 2 1 298.377 3.135 20 0 CGADMP CCn1c2ccccc2c2cc(C[NH2+][C@@H](C)C[NH3+])ccc21 ZINC000414958735 393064619 /nfs/dbraw/zinc/06/46/19/393064619.db2.gz RZISXDQMNZBBQN-ZDUSSCGKSA-N 2 1 281.403 3.251 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414977695 393076591 /nfs/dbraw/zinc/07/65/91/393076591.db2.gz KMMWBOCLERRRKU-AWEZNQCLSA-N 2 1 260.406 3.242 20 0 CGADMP CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415057154 393118262 /nfs/dbraw/zinc/11/82/62/393118262.db2.gz PDTDSDITNFQQOG-MLGOLLRUSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1c(Cl)cccc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415057154 393118267 /nfs/dbraw/zinc/11/82/67/393118267.db2.gz PDTDSDITNFQQOG-MLGOLLRUSA-N 2 1 296.842 3.155 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415058268 393119316 /nfs/dbraw/zinc/11/93/16/393119316.db2.gz VHRLQAOOVKFJDI-WBVHZDCISA-N 2 1 284.403 3.397 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCOC3(CCC3)C2)([NH+](C)C)C1 ZINC000251852435 393121504 /nfs/dbraw/zinc/12/15/04/393121504.db2.gz PCRSUIGSAZZUOA-IKGGRYGDSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C[C@@H]1c1ccccc1 ZINC000415069992 393127960 /nfs/dbraw/zinc/12/79/60/393127960.db2.gz UAUPVUDLNMIKID-VIBAHUMZSA-N 2 1 272.436 3.286 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415069778 393128782 /nfs/dbraw/zinc/12/87/82/393128782.db2.gz UAQZWCBVJYJMBG-YJBOKZPZSA-N 2 1 274.452 3.423 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC1 ZINC000415079845 393134862 /nfs/dbraw/zinc/13/48/62/393134862.db2.gz IOPPTCGWPLLXTJ-HZPDHXFCSA-N 2 1 258.409 3.260 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+]CCOc1cccc2ccccc21 ZINC000415082248 393136000 /nfs/dbraw/zinc/13/60/00/393136000.db2.gz CXQSVUHCCPVNQX-INIZCTEOSA-N 2 1 286.419 3.182 20 0 CGADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1OC1CCC1 ZINC000415085115 393139208 /nfs/dbraw/zinc/13/92/08/393139208.db2.gz HWXGHSNUWZQMKD-ZBFHGGJFSA-N 2 1 288.435 3.238 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000415124618 393150587 /nfs/dbraw/zinc/15/05/87/393150587.db2.gz OQUITUCHGCLUAI-OCCSQVGLSA-N 2 1 296.842 3.169 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000415134923 393156556 /nfs/dbraw/zinc/15/65/56/393156556.db2.gz WLAAAYPDXZIMCF-JQHSSLGASA-N 2 1 274.452 3.343 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000355230043 393270532 /nfs/dbraw/zinc/27/05/32/393270532.db2.gz ZMULASFDFLGXCF-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000355230043 393270540 /nfs/dbraw/zinc/27/05/40/393270540.db2.gz ZMULASFDFLGXCF-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000355230043 393270545 /nfs/dbraw/zinc/27/05/45/393270545.db2.gz ZMULASFDFLGXCF-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000355230043 393270548 /nfs/dbraw/zinc/27/05/48/393270548.db2.gz ZMULASFDFLGXCF-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420390596 393479888 /nfs/dbraw/zinc/47/98/88/393479888.db2.gz YMEAZVZTPOYHPZ-KRWDZBQOSA-N 2 1 292.854 3.348 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420390962 393480885 /nfs/dbraw/zinc/48/08/85/393480885.db2.gz ICKBUYUMSAMDGD-AEFFLSMTSA-N 2 1 272.436 3.267 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000481306559 393437417 /nfs/dbraw/zinc/43/74/17/393437417.db2.gz INUAQRHBLXECFL-ARFHVFGLSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420308005 393459002 /nfs/dbraw/zinc/45/90/02/393459002.db2.gz RUVPVQBGCPLKLN-CPUCHLNUSA-N 2 1 276.399 3.208 20 0 CGADMP Fc1ccc([C@@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420310456 393459565 /nfs/dbraw/zinc/45/95/65/393459565.db2.gz UZKHJCBWESGHNP-YOEHRIQHSA-N 2 1 276.399 3.352 20 0 CGADMP CC[C@@]1(C)CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311517 393460427 /nfs/dbraw/zinc/46/04/27/393460427.db2.gz WDFXWJDZPGVJDK-AEFFLSMTSA-N 2 1 290.451 3.250 20 0 CGADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313241 393461620 /nfs/dbraw/zinc/46/16/20/393461620.db2.gz XTXGDKPHDMGVDW-RBUKOAKNSA-N 2 1 286.463 3.331 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420314608 393461653 /nfs/dbraw/zinc/46/16/53/393461653.db2.gz ZEBQXODGSDFZTF-IXDOHACOSA-N 2 1 272.436 3.172 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)CC[C@@H]1CC[NH2+]C1 ZINC000420321301 393465619 /nfs/dbraw/zinc/46/56/19/393465619.db2.gz RENGYWVSSHAWSF-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000356510528 393467169 /nfs/dbraw/zinc/46/71/69/393467169.db2.gz WGWYMYCFVVXNRE-INIZCTEOSA-N 2 1 277.456 3.033 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000356510528 393467174 /nfs/dbraw/zinc/46/71/74/393467174.db2.gz WGWYMYCFVVXNRE-INIZCTEOSA-N 2 1 277.456 3.033 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000420326777 393467426 /nfs/dbraw/zinc/46/74/26/393467426.db2.gz XQMAIZNVKSHAJV-CZUORRHYSA-N 2 1 288.435 3.000 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)OC1CCCCCC1 ZINC000420324260 393467473 /nfs/dbraw/zinc/46/74/73/393467473.db2.gz HHNSHLIIYRBOSY-IAGOWNOFSA-N 2 1 294.483 3.047 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420324403 393468902 /nfs/dbraw/zinc/46/89/02/393468902.db2.gz VGMWVEHKTKFGPL-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332703 393470099 /nfs/dbraw/zinc/47/00/99/393470099.db2.gz DQIWOWHMVSXFLM-PVAVHDDUSA-N 2 1 258.409 3.069 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000420375479 393478398 /nfs/dbraw/zinc/47/83/98/393478398.db2.gz PMLGXNWXXYXJDJ-QMTHXVAHSA-N 2 1 297.240 3.227 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000356296032 393411619 /nfs/dbraw/zinc/41/16/19/393411619.db2.gz IAUJUEHAGJUMMM-JSGCOSHPSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000356296032 393411624 /nfs/dbraw/zinc/41/16/24/393411624.db2.gz IAUJUEHAGJUMMM-JSGCOSHPSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000356296032 393411626 /nfs/dbraw/zinc/41/16/26/393411626.db2.gz IAUJUEHAGJUMMM-JSGCOSHPSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000356296032 393411631 /nfs/dbraw/zinc/41/16/31/393411631.db2.gz IAUJUEHAGJUMMM-JSGCOSHPSA-N 2 1 296.505 3.386 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000420403912 393484502 /nfs/dbraw/zinc/48/45/02/393484502.db2.gz LOFZCJSXNKNHCB-QMTHXVAHSA-N 2 1 252.789 3.118 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066810 393515828 /nfs/dbraw/zinc/51/58/28/393515828.db2.gz AWMSKVQLZBEDNC-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066810 393515834 /nfs/dbraw/zinc/51/58/34/393515834.db2.gz AWMSKVQLZBEDNC-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066810 393515837 /nfs/dbraw/zinc/51/58/37/393515837.db2.gz AWMSKVQLZBEDNC-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066810 393515841 /nfs/dbraw/zinc/51/58/41/393515841.db2.gz AWMSKVQLZBEDNC-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CCCC1 ZINC000488448778 393518110 /nfs/dbraw/zinc/51/81/10/393518110.db2.gz NWXCMABLXNNTKC-KBPBESRZSA-N 2 1 284.513 3.371 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430084457 393518387 /nfs/dbraw/zinc/51/83/87/393518387.db2.gz LCFGCSWXBJLKHT-LJQANCHMSA-N 2 1 286.463 3.482 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc2c1C ZINC000430113036 393525505 /nfs/dbraw/zinc/52/55/05/393525505.db2.gz GZZOMVACWVCBKX-IBGZPJMESA-N 2 1 297.446 3.312 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc2c1C ZINC000430113036 393525509 /nfs/dbraw/zinc/52/55/09/393525509.db2.gz GZZOMVACWVCBKX-IBGZPJMESA-N 2 1 297.446 3.312 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c1C ZINC000430113036 393525513 /nfs/dbraw/zinc/52/55/13/393525513.db2.gz GZZOMVACWVCBKX-IBGZPJMESA-N 2 1 297.446 3.312 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c1C ZINC000430113036 393525514 /nfs/dbraw/zinc/52/55/14/393525514.db2.gz GZZOMVACWVCBKX-IBGZPJMESA-N 2 1 297.446 3.312 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000430143666 393529074 /nfs/dbraw/zinc/52/90/74/393529074.db2.gz CTVLJINPRKRNNT-IBGZPJMESA-N 2 1 286.463 3.380 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430143666 393529081 /nfs/dbraw/zinc/52/90/81/393529081.db2.gz CTVLJINPRKRNNT-IBGZPJMESA-N 2 1 286.463 3.380 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430143666 393529086 /nfs/dbraw/zinc/52/90/86/393529086.db2.gz CTVLJINPRKRNNT-IBGZPJMESA-N 2 1 286.463 3.380 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000666640948 542805012 /nfs/dbraw/zinc/80/50/12/542805012.db2.gz IGDZWUQUVYVMGU-INMHGKMJSA-N 2 1 290.476 3.165 20 0 CGADMP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666770274 542814577 /nfs/dbraw/zinc/81/45/77/542814577.db2.gz QZUROYQXQVIMII-YESZJQIVSA-N 2 1 276.399 3.194 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2cnccc2c1)C1CCCCC1 ZINC000666801262 542816853 /nfs/dbraw/zinc/81/68/53/542816853.db2.gz FDCICBHLMMNFLU-GOSISDBHSA-N 2 1 283.419 3.232 20 0 CGADMP c1nc(C2CCCC2)sc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855329 542820515 /nfs/dbraw/zinc/82/05/15/542820515.db2.gz MOARTRZPXSIFBV-ZDUSSCGKSA-N 2 1 279.453 3.032 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360838256 393596110 /nfs/dbraw/zinc/59/61/10/393596110.db2.gz TYZXJGCKQYTBTO-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)s1 ZINC000360856013 393599245 /nfs/dbraw/zinc/59/92/45/393599245.db2.gz GATAZQMLWFTYGR-QWRGUYRKSA-N 2 1 269.458 3.005 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(C3CC3)c2)CC1 ZINC000421330390 393605454 /nfs/dbraw/zinc/60/54/54/393605454.db2.gz QJMDMKMGQCMKJQ-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C3CC3)c2)CC1 ZINC000421330390 393605458 /nfs/dbraw/zinc/60/54/58/393605458.db2.gz QJMDMKMGQCMKJQ-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP CCc1ccc(CC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430572659 393579105 /nfs/dbraw/zinc/57/91/05/393579105.db2.gz QBPRRYKIOTWIFD-UHFFFAOYSA-N 2 1 286.463 3.256 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000430610593 393580779 /nfs/dbraw/zinc/58/07/79/393580779.db2.gz LGFWNXPGRUTYAE-INIZCTEOSA-N 2 1 298.430 3.150 20 0 CGADMP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000432424547 393612717 /nfs/dbraw/zinc/61/27/17/393612717.db2.gz JMXUGRVPROCOMY-JCCCHCCOSA-N 2 1 294.483 3.187 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000360910178 393613494 /nfs/dbraw/zinc/61/34/94/393613494.db2.gz RQDRZRCRXJDVNC-SJLPKXTDSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490040638 393627930 /nfs/dbraw/zinc/62/79/30/393627930.db2.gz QOJDMYPCQTURCF-IEBWSBKVSA-N 2 1 286.463 3.331 20 0 CGADMP CCC[NH+](C)Cc1cc(C[N@H+](C)CCC)cc(OC)c1 ZINC000432819470 393643872 /nfs/dbraw/zinc/64/38/72/393643872.db2.gz AIAHOXOAZHIIII-UHFFFAOYSA-N 2 1 278.440 3.379 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423279432 393659358 /nfs/dbraw/zinc/65/93/58/393659358.db2.gz SMFJIWFVFLWNOQ-FZMZJTMJSA-N 2 1 299.256 3.473 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](COC)CC(C)C)c1 ZINC000361070024 393664201 /nfs/dbraw/zinc/66/42/01/393664201.db2.gz UHSQOAPJHDCWBL-GOSISDBHSA-N 2 1 292.467 3.289 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CCCO2 ZINC000423433449 393666493 /nfs/dbraw/zinc/66/64/93/393666493.db2.gz CJZOHVSQFGYVEF-DVOMOZLQSA-N 2 1 276.424 3.349 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423452417 393667516 /nfs/dbraw/zinc/66/75/16/393667516.db2.gz WGOYLGSEUJSCEX-BHDSKKPTSA-N 2 1 297.240 3.152 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349250 393754157 /nfs/dbraw/zinc/75/41/57/393754157.db2.gz UEDDQXLXWJLMFP-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349250 393754162 /nfs/dbraw/zinc/75/41/62/393754162.db2.gz UEDDQXLXWJLMFP-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349250 393754165 /nfs/dbraw/zinc/75/41/65/393754165.db2.gz UEDDQXLXWJLMFP-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349250 393754167 /nfs/dbraw/zinc/75/41/67/393754167.db2.gz UEDDQXLXWJLMFP-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000433170600 393693455 /nfs/dbraw/zinc/69/34/55/393693455.db2.gz YBWIQVDAOAXBFW-UHFFFAOYSA-N 2 1 260.425 3.417 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000361222518 393704248 /nfs/dbraw/zinc/70/42/48/393704248.db2.gz ZIMFPMXBAOSTLL-CVEARBPZSA-N 2 1 296.499 3.434 20 0 CGADMP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000495015298 393777273 /nfs/dbraw/zinc/77/72/73/393777273.db2.gz FYFAPZJBPQKHNS-ZNMIVQPWSA-N 2 1 286.410 3.418 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)CCC[NH+]1CCCC1 ZINC000499960015 393811895 /nfs/dbraw/zinc/81/18/95/393811895.db2.gz ZNAQOIFHFAIDKW-UHFFFAOYSA-N 2 1 274.452 3.427 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502698573 393882695 /nfs/dbraw/zinc/88/26/95/393882695.db2.gz NQLJNGIWZXARRX-ADHGMGHFSA-N 2 1 296.499 3.148 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502698573 393882698 /nfs/dbraw/zinc/88/26/98/393882698.db2.gz NQLJNGIWZXARRX-ADHGMGHFSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Cc2ccccc2)C1 ZINC000502717098 393882734 /nfs/dbraw/zinc/88/27/34/393882734.db2.gz WAZOWBHFRADEOZ-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000502707867 393883107 /nfs/dbraw/zinc/88/31/07/393883107.db2.gz NBGRTQWOWOKRCD-SZMVWBNQSA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1C1CC1)C1CCCC1 ZINC000666970673 542831087 /nfs/dbraw/zinc/83/10/87/542831087.db2.gz WRGHNFLPOLITDV-QGZVFWFLSA-N 2 1 258.409 3.171 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453131847 394182736 /nfs/dbraw/zinc/18/27/36/394182736.db2.gz UEUNQIPVZXDELM-INIZCTEOSA-N 2 1 261.413 3.140 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)CCCc1cccnc1)[NH+]1CCCC1 ZINC000453087807 394167210 /nfs/dbraw/zinc/16/72/10/394167210.db2.gz QEDVTLUIJYZMDU-SJLPKXTDSA-N 2 1 289.467 3.257 20 0 CGADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1(C)C ZINC000453410035 394237412 /nfs/dbraw/zinc/23/74/12/394237412.db2.gz UPIJSOWJYVIAON-IAGOWNOFSA-N 2 1 296.499 3.290 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC000453429033 394243937 /nfs/dbraw/zinc/24/39/37/394243937.db2.gz PGKMIPILZMGOBK-QGZVFWFLSA-N 2 1 258.409 3.138 20 0 CGADMP Cc1ncc(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)n1C ZINC000667497408 542877605 /nfs/dbraw/zinc/87/76/05/542877605.db2.gz AFXDFHPMQZKIMV-ZDUSSCGKSA-N 2 1 269.392 3.454 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453598570 394254770 /nfs/dbraw/zinc/25/47/70/394254770.db2.gz PSKURJWOULRUDV-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667621753 542899519 /nfs/dbraw/zinc/89/95/19/542899519.db2.gz UMIZKBCEPLXCNR-OAHLLOKOSA-N 2 1 284.407 3.135 20 0 CGADMP CC(C)C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667621753 542899523 /nfs/dbraw/zinc/89/95/23/542899523.db2.gz UMIZKBCEPLXCNR-OAHLLOKOSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@@H]1CCCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667631268 542900609 /nfs/dbraw/zinc/90/06/09/542900609.db2.gz BQTWLCNMBUJDSK-CQSZACIVSA-N 2 1 270.380 3.032 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667631268 542900611 /nfs/dbraw/zinc/90/06/11/542900611.db2.gz BQTWLCNMBUJDSK-CQSZACIVSA-N 2 1 270.380 3.032 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667786445 542928410 /nfs/dbraw/zinc/92/84/10/542928410.db2.gz QPGSCAXLIGMWLH-WCXIOVBPSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000667835434 542935104 /nfs/dbraw/zinc/93/51/04/542935104.db2.gz QCHOKQUGFFAVQR-YRPNKDGESA-N 2 1 298.474 3.329 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c(C)c1 ZINC000668172773 542980522 /nfs/dbraw/zinc/98/05/22/542980522.db2.gz SWZRRPGXOLQPCV-QAPCUYQASA-N 2 1 290.451 3.166 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(C)c1 ZINC000668172773 542980525 /nfs/dbraw/zinc/98/05/25/542980525.db2.gz SWZRRPGXOLQPCV-QAPCUYQASA-N 2 1 290.451 3.166 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000668172773 542980531 /nfs/dbraw/zinc/98/05/31/542980531.db2.gz SWZRRPGXOLQPCV-QAPCUYQASA-N 2 1 290.451 3.166 20 0 CGADMP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668587164 543031313 /nfs/dbraw/zinc/03/13/13/543031313.db2.gz JADGLVLGFPJASH-HZPDHXFCSA-N 2 1 262.441 3.482 20 0 CGADMP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668587164 543031316 /nfs/dbraw/zinc/03/13/16/543031316.db2.gz JADGLVLGFPJASH-HZPDHXFCSA-N 2 1 262.441 3.482 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)C(C)(C)C)C[C@H]1C ZINC000670264905 543147149 /nfs/dbraw/zinc/14/71/49/543147149.db2.gz QEMIDYGDQUOQHU-KFWWJZLASA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)C(C)(C)C)C[C@H]1C ZINC000670264905 543147150 /nfs/dbraw/zinc/14/71/50/543147150.db2.gz QEMIDYGDQUOQHU-KFWWJZLASA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)C(C)(C)C)C[C@H]1C ZINC000670264905 543147152 /nfs/dbraw/zinc/14/71/52/543147152.db2.gz QEMIDYGDQUOQHU-KFWWJZLASA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000670267249 543149110 /nfs/dbraw/zinc/14/91/10/543149110.db2.gz WXWIRQQJWBJCFS-HUUCEWRRSA-N 2 1 254.462 3.379 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]2CCC[C@H]21 ZINC000671738776 543183670 /nfs/dbraw/zinc/18/36/70/543183670.db2.gz OTXCBWKQYWHPBJ-YESZJQIVSA-N 2 1 262.441 3.339 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000671740811 543184324 /nfs/dbraw/zinc/18/43/24/543184324.db2.gz JVMVXHACGKWWSH-BZSNNMDCSA-N 2 1 286.463 3.427 20 0 CGADMP Cc1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405055 292094959 /nfs/dbraw/zinc/09/49/59/292094959.db2.gz SOKRFWOBCPXKIB-ZWKOTPCHSA-N 2 1 272.436 3.002 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000671754441 543186651 /nfs/dbraw/zinc/18/66/51/543186651.db2.gz QQGCPPIHUUIPBO-NHHFINERSA-N 2 1 294.483 3.185 20 0 CGADMP c1ccc(SCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038078701 397610205 /nfs/dbraw/zinc/61/02/05/397610205.db2.gz FYAOAOBGUVRTPH-RDJZCZTQSA-N 2 1 290.476 3.243 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000187887943 397661944 /nfs/dbraw/zinc/66/19/44/397661944.db2.gz HYODACZDWDSYAE-KGLIPLIRSA-N 2 1 280.843 3.375 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302441643 397676426 /nfs/dbraw/zinc/67/64/26/397676426.db2.gz WLGBJGTVHLHRLU-JYJNAYRXSA-N 2 1 252.446 3.133 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000389121016 397691485 /nfs/dbraw/zinc/69/14/85/397691485.db2.gz YDLMWXINGKCZNX-MEDMHYDHSA-N 2 1 270.420 3.164 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)[C@@H]1CC[NH3+] ZINC000650711054 397898787 /nfs/dbraw/zinc/89/87/87/397898787.db2.gz HDDPPVJOZGFISV-IUODEOHRSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1CC[NH3+] ZINC000650711966 397899077 /nfs/dbraw/zinc/89/90/77/397899077.db2.gz LDALYAPEMOAZMM-DKIMLUQUSA-N 2 1 272.436 3.239 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC2CCCCCC2)C1 ZINC000650723528 397902546 /nfs/dbraw/zinc/90/25/46/397902546.db2.gz PSSQPZNVLLBEMU-FGTMMUONSA-N 2 1 294.483 3.318 20 0 CGADMP CC[C@@H](OCC[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000650742491 397904901 /nfs/dbraw/zinc/90/49/01/397904901.db2.gz YWGRKDDHQDGYCF-KBXCAEBGSA-N 2 1 299.418 3.313 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccs1 ZINC000675883106 543369812 /nfs/dbraw/zinc/36/98/12/543369812.db2.gz WLLKTKMEYVWPQO-DZGCQCFKSA-N 2 1 294.464 3.042 20 0 CGADMP CC1(C)CCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882647 543370308 /nfs/dbraw/zinc/37/03/08/543370308.db2.gz TZZVOAAEOFGGHO-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000675883209 543370391 /nfs/dbraw/zinc/37/03/91/543370391.db2.gz XZGSVXVDSYCHGD-CZUORRHYSA-N 2 1 294.464 3.042 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000677817254 543467038 /nfs/dbraw/zinc/46/70/38/543467038.db2.gz JPSGVIFFKQABKG-ZDUSSCGKSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000677817254 543467041 /nfs/dbraw/zinc/46/70/41/543467041.db2.gz JPSGVIFFKQABKG-ZDUSSCGKSA-N 2 1 287.382 3.340 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000677982666 543475104 /nfs/dbraw/zinc/47/51/04/543475104.db2.gz RSDMFJSLYPFQTB-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000677982666 543475106 /nfs/dbraw/zinc/47/51/06/543475106.db2.gz RSDMFJSLYPFQTB-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC000678338421 543515617 /nfs/dbraw/zinc/51/56/17/543515617.db2.gz CNDNEMWNCRXXOR-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC000678338421 543515618 /nfs/dbraw/zinc/51/56/18/543515618.db2.gz CNDNEMWNCRXXOR-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678429479 543525945 /nfs/dbraw/zinc/52/59/45/543525945.db2.gz WUZXBQWMPKEYOQ-AWEZNQCLSA-N 2 1 286.423 3.334 20 0 CGADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000678590830 543539513 /nfs/dbraw/zinc/53/95/13/543539513.db2.gz KMXWTYZGJTVTPP-ZYSHUDEJSA-N 2 1 284.447 3.008 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423385087 297110078 /nfs/dbraw/zinc/11/00/78/297110078.db2.gz GHCSDMVGXNCVNV-DFBGVHRSSA-N 2 1 294.826 3.141 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1(C)C ZINC000344150487 286280384 /nfs/dbraw/zinc/28/03/84/286280384.db2.gz XNMHAPMGCAQBPT-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H](CC[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000070148661 165060143 /nfs/dbraw/zinc/06/01/43/165060143.db2.gz RXRLIYTVQZFIMY-DOTOQJQBSA-N 2 1 260.425 3.384 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000086256630 165182764 /nfs/dbraw/zinc/18/27/64/165182764.db2.gz RHGHJDFJOXNQNZ-MAUKXSAKSA-N 2 1 283.419 3.157 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000086256630 165182767 /nfs/dbraw/zinc/18/27/67/165182767.db2.gz RHGHJDFJOXNQNZ-MAUKXSAKSA-N 2 1 283.419 3.157 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000090586676 287102978 /nfs/dbraw/zinc/10/29/78/287102978.db2.gz KLRXKSMQJVNCJN-CQSZACIVSA-N 2 1 264.457 3.133 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000090586472 165238655 /nfs/dbraw/zinc/23/86/55/165238655.db2.gz WEXQDJGUCOXJCZ-GJZGRUSLSA-N 2 1 264.413 3.298 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000090586472 165238657 /nfs/dbraw/zinc/23/86/57/165238657.db2.gz WEXQDJGUCOXJCZ-GJZGRUSLSA-N 2 1 264.413 3.298 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683570 165335652 /nfs/dbraw/zinc/33/56/52/165335652.db2.gz VQIACXXUGZRDQD-HNNXBMFYSA-N 2 1 278.465 3.364 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522164 165353179 /nfs/dbraw/zinc/35/31/79/165353179.db2.gz OMJYIKSLDIKNNW-DYVFJYSZSA-N 2 1 258.409 3.123 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000092383866 287111497 /nfs/dbraw/zinc/11/14/97/287111497.db2.gz DVCMYRLVFBPCEZ-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000093597651 287117507 /nfs/dbraw/zinc/11/75/07/287117507.db2.gz AXMJYDGMSOFYAU-KRWDZBQOSA-N 2 1 272.436 3.221 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000109787517 287129824 /nfs/dbraw/zinc/12/98/24/287129824.db2.gz NNJIBWWQDSRTJC-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000123262314 287217706 /nfs/dbraw/zinc/21/77/06/287217706.db2.gz XAYXNDLWNASXHH-ZFWWWQNUSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccccc2Cl)CC[N@H+]1C ZINC000123262314 287217708 /nfs/dbraw/zinc/21/77/08/287217708.db2.gz XAYXNDLWNASXHH-ZFWWWQNUSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccccc2Cl)CC[NH+]1C ZINC000123262314 287217709 /nfs/dbraw/zinc/21/77/09/287217709.db2.gz XAYXNDLWNASXHH-ZFWWWQNUSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccccc2Cl)CC[NH+]1C ZINC000123262314 287217711 /nfs/dbraw/zinc/21/77/11/287217711.db2.gz XAYXNDLWNASXHH-ZFWWWQNUSA-N 2 1 280.843 3.297 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000124744690 287237030 /nfs/dbraw/zinc/23/70/30/287237030.db2.gz WNDOTLKLVCNSGW-UHFFFAOYSA-N 2 1 287.382 3.385 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000124744690 287237031 /nfs/dbraw/zinc/23/70/31/287237031.db2.gz WNDOTLKLVCNSGW-UHFFFAOYSA-N 2 1 287.382 3.385 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccccc1 ZINC000125447692 287244763 /nfs/dbraw/zinc/24/47/63/287244763.db2.gz QVPWLNVCKSENHM-UHFFFAOYSA-N 2 1 257.381 3.104 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccc1 ZINC000125447692 287244765 /nfs/dbraw/zinc/24/47/65/287244765.db2.gz QVPWLNVCKSENHM-UHFFFAOYSA-N 2 1 257.381 3.104 20 0 CGADMP Clc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000021516325 171312982 /nfs/dbraw/zinc/31/29/82/171312982.db2.gz QXAZYAJFVLDLDR-UHFFFAOYSA-N 2 1 266.816 3.306 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000314510110 287268441 /nfs/dbraw/zinc/26/84/41/287268441.db2.gz FHHXPSRRRTZKPI-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cc2cc(C[NH2+]Cc3c[nH+]ccc3N(C)C)ccc2[nH]1 ZINC000285588681 196335238 /nfs/dbraw/zinc/33/52/38/196335238.db2.gz VVTMCCGWGFTCPP-UHFFFAOYSA-N 2 1 294.402 3.227 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000037292575 173096978 /nfs/dbraw/zinc/09/69/78/173096978.db2.gz QVMRBZNTWHHGBZ-ZWKOTPCHSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000037292575 173096980 /nfs/dbraw/zinc/09/69/80/173096980.db2.gz QVMRBZNTWHHGBZ-ZWKOTPCHSA-N 2 1 288.435 3.190 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746544 174391341 /nfs/dbraw/zinc/39/13/41/174391341.db2.gz JBKVBLHXYNZJJY-YIONKMFJSA-N 2 1 298.352 3.420 20 0 CGADMP c1csc(C[N@H+](CCCC2CC[NH2+]CC2)C2CC2)c1 ZINC000050953419 416479479 /nfs/dbraw/zinc/47/94/79/416479479.db2.gz JWSDJMKUFHBOBN-UHFFFAOYSA-N 2 1 278.465 3.492 20 0 CGADMP c1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000317090656 416538925 /nfs/dbraw/zinc/53/89/25/416538925.db2.gz APNKPNFENONSPN-PKOBYXMFSA-N 2 1 295.430 3.199 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000317090656 416538928 /nfs/dbraw/zinc/53/89/28/416538928.db2.gz APNKPNFENONSPN-PKOBYXMFSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])ccc2n1 ZINC000404329490 416551923 /nfs/dbraw/zinc/55/19/23/416551923.db2.gz YBTOOVFMZXTBDF-AUUYWEPGSA-N 2 1 297.446 3.493 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1Cl ZINC000404494524 416555326 /nfs/dbraw/zinc/55/53/26/416555326.db2.gz DZZBJSNYLRBOMS-IUODEOHRSA-N 2 1 296.842 3.298 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1Cl ZINC000404494524 416555328 /nfs/dbraw/zinc/55/53/28/416555328.db2.gz DZZBJSNYLRBOMS-IUODEOHRSA-N 2 1 296.842 3.298 20 0 CGADMP C[C@@H]([NH2+]C1CC=CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681391692 543785738 /nfs/dbraw/zinc/78/57/38/543785738.db2.gz JQUFLFCBOOXAOE-NVXWUHKLSA-N 2 1 270.420 3.205 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@H](C)C1 ZINC000131494598 287381860 /nfs/dbraw/zinc/38/18/60/287381860.db2.gz VMZKCWIZLMOBFT-PBHICJAKSA-N 2 1 292.442 3.423 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CCC[NH+](CC)CC)c1 ZINC000131425684 287379496 /nfs/dbraw/zinc/37/94/96/287379496.db2.gz FHKNFZIAMLWVPY-HNNXBMFYSA-N 2 1 278.440 3.468 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)CC[N@H+]1C ZINC000131479507 287381490 /nfs/dbraw/zinc/38/14/90/287381490.db2.gz NZALAVYGNAUTIT-CZUORRHYSA-N 2 1 278.415 3.176 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000683816150 543943606 /nfs/dbraw/zinc/94/36/06/543943606.db2.gz LMNZSMIEDKPYII-JFIYKMOQSA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccoc1 ZINC000683889081 543950791 /nfs/dbraw/zinc/95/07/91/543950791.db2.gz JZYSWSBPWIQTFV-INIZCTEOSA-N 2 1 275.396 3.323 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](OC)C1)CC(C)C ZINC000684367237 543986244 /nfs/dbraw/zinc/98/62/44/543986244.db2.gz LWFDXFJOMKUJBR-ULQDDVLXSA-N 2 1 284.488 3.290 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000684370311 543987386 /nfs/dbraw/zinc/98/73/86/543987386.db2.gz SILBYSDZABRXHK-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccccc2F)C1 ZINC000685455188 544073594 /nfs/dbraw/zinc/07/35/94/544073594.db2.gz CQRVSIDFWPSTBX-JKSUJKDBSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000685470473 544077087 /nfs/dbraw/zinc/07/70/87/544077087.db2.gz SURZNAWGKGEFMJ-SPUZQDLCSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000685470473 544077090 /nfs/dbraw/zinc/07/70/90/544077090.db2.gz SURZNAWGKGEFMJ-SPUZQDLCSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000685470473 544077092 /nfs/dbraw/zinc/07/70/92/544077092.db2.gz SURZNAWGKGEFMJ-SPUZQDLCSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000685470473 544077094 /nfs/dbraw/zinc/07/70/94/544077094.db2.gz SURZNAWGKGEFMJ-SPUZQDLCSA-N 2 1 272.436 3.062 20 0 CGADMP CC[N@@H+](CCCN[C@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000650741304 418936094 /nfs/dbraw/zinc/93/60/94/418936094.db2.gz APQVHZDSPKYSJN-AEFFLSMTSA-N 2 1 295.515 3.138 20 0 CGADMP CC[N@H+](CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000650741304 418936096 /nfs/dbraw/zinc/93/60/96/418936096.db2.gz APQVHZDSPKYSJN-AEFFLSMTSA-N 3 1 295.515 3.138 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000650741304 418936099 /nfs/dbraw/zinc/93/60/99/418936099.db2.gz APQVHZDSPKYSJN-AEFFLSMTSA-N 3 1 295.515 3.138 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CCCCC1 ZINC000658326399 418936202 /nfs/dbraw/zinc/93/62/02/418936202.db2.gz DSWVLSFGKYUYMX-XWTMOSNGSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000652358558 418955447 /nfs/dbraw/zinc/95/54/47/418955447.db2.gz RPHRWUKFZIUEHZ-AWEZNQCLSA-N 2 1 272.392 3.091 20 0 CGADMP CCCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655733859 419081430 /nfs/dbraw/zinc/08/14/30/419081430.db2.gz TXRKEFWRFNHPCS-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(F)c1 ZINC000665246611 419090212 /nfs/dbraw/zinc/09/02/12/419090212.db2.gz JOWITASVKGXKDG-CQSZACIVSA-N 2 1 250.361 3.138 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(C)ccc1OC ZINC000665247476 419091137 /nfs/dbraw/zinc/09/11/37/419091137.db2.gz CMOWOVFPZXVFRD-HNNXBMFYSA-N 2 1 276.424 3.316 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)s1 ZINC000665250266 419091709 /nfs/dbraw/zinc/09/17/09/419091709.db2.gz MLQYSLQLVJGQPW-SECBINFHSA-N 2 1 258.818 3.324 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2ccccc2n1 ZINC000665248836 419092075 /nfs/dbraw/zinc/09/20/75/419092075.db2.gz DFQDBRRZUFGPLH-ZDUSSCGKSA-N 2 1 269.392 3.157 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CCCC1 ZINC000665248571 419092133 /nfs/dbraw/zinc/09/21/33/419092133.db2.gz ZILKUJUWJLOSDL-CQSZACIVSA-N 2 1 264.800 3.188 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253466 419093508 /nfs/dbraw/zinc/09/35/08/419093508.db2.gz RLNHQFGKTDOQIV-BASLNEPJSA-N 2 1 276.399 3.049 20 0 CGADMP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000665255624 419093607 /nfs/dbraw/zinc/09/36/07/419093607.db2.gz YHSQNQXTUDGMGT-BMGDILEWSA-N 2 1 290.451 3.309 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253485 419093718 /nfs/dbraw/zinc/09/37/18/419093718.db2.gz SDSHXEFXUWASQB-MCPWVCTESA-N 2 1 294.389 3.189 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257559 419095118 /nfs/dbraw/zinc/09/51/18/419095118.db2.gz MXNYEWNJPNLIHX-VJUNAUMWSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc2ccccc21 ZINC000665277307 419099894 /nfs/dbraw/zinc/09/98/94/419099894.db2.gz YTNCFHFNTPLELO-WRSVWVKZSA-N 2 1 266.388 3.242 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2sccc21 ZINC000665280343 419101395 /nfs/dbraw/zinc/10/13/95/419101395.db2.gz ZGXCIGGGAGNWQD-JWFCRIOLSA-N 2 1 262.422 3.028 20 0 CGADMP CCc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C(C)C)cc1 ZINC000665279144 419101590 /nfs/dbraw/zinc/10/15/90/419101590.db2.gz XVZKHHJHJBLNJF-IIIMJFFVSA-N 2 1 272.436 3.288 20 0 CGADMP C[C@@H]([NH2+]CC1CC=CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220973 419104587 /nfs/dbraw/zinc/10/45/87/419104587.db2.gz NSLYHTRTUALEMI-APWZRJJASA-N 2 1 284.447 3.453 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000665297867 419110970 /nfs/dbraw/zinc/11/09/70/419110970.db2.gz NFAOMQZWSQRJKZ-NJZAAPMLSA-N 2 1 266.816 3.174 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000665297391 419111108 /nfs/dbraw/zinc/11/11/08/419111108.db2.gz FETCFITYKIOEPQ-CHWFTXMASA-N 2 1 272.845 3.091 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(SC)c2)C1 ZINC000659989432 419056498 /nfs/dbraw/zinc/05/64/98/419056498.db2.gz KYFUYINRYDVGFY-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(SC)c2)C1 ZINC000659989432 419056499 /nfs/dbraw/zinc/05/64/99/419056499.db2.gz KYFUYINRYDVGFY-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(SC)c2)C1 ZINC000659989432 419056500 /nfs/dbraw/zinc/05/65/00/419056500.db2.gz KYFUYINRYDVGFY-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(SC)c2)C1 ZINC000659989432 419056501 /nfs/dbraw/zinc/05/65/01/419056501.db2.gz KYFUYINRYDVGFY-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP c1ccc([C@H]2C[C@H]2[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000660115205 419080380 /nfs/dbraw/zinc/08/03/80/419080380.db2.gz MONXMLLDBXWYIH-OJAHFUOMSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000660115205 419080381 /nfs/dbraw/zinc/08/03/81/419080381.db2.gz MONXMLLDBXWYIH-OJAHFUOMSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660115205 419080385 /nfs/dbraw/zinc/08/03/85/419080385.db2.gz MONXMLLDBXWYIH-OJAHFUOMSA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660115205 419080386 /nfs/dbraw/zinc/08/03/86/419080386.db2.gz MONXMLLDBXWYIH-OJAHFUOMSA-N 2 1 296.458 3.491 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CC1 ZINC000655940504 419129273 /nfs/dbraw/zinc/12/92/73/419129273.db2.gz CSZXIKSAUXCPFJ-HUUCEWRRSA-N 2 1 264.457 3.134 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCCC3(C)C)C2)C1 ZINC000660615252 419169953 /nfs/dbraw/zinc/16/99/53/419169953.db2.gz DKRPSVODWVPOHG-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCCCC3(C)C)C2)C1 ZINC000660615252 419169955 /nfs/dbraw/zinc/16/99/55/419169955.db2.gz DKRPSVODWVPOHG-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCCCC3(C)C)C2)C1 ZINC000660615252 419169957 /nfs/dbraw/zinc/16/99/57/419169957.db2.gz DKRPSVODWVPOHG-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655185 419177209 /nfs/dbraw/zinc/17/72/09/419177209.db2.gz LNBFYSGZJQXPLZ-PKOBYXMFSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655185 419177210 /nfs/dbraw/zinc/17/72/10/419177210.db2.gz LNBFYSGZJQXPLZ-PKOBYXMFSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655185 419177213 /nfs/dbraw/zinc/17/72/13/419177213.db2.gz LNBFYSGZJQXPLZ-PKOBYXMFSA-N 2 1 286.463 3.425 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccc(Cl)cc1)C2 ZINC000660662426 419179261 /nfs/dbraw/zinc/17/92/61/419179261.db2.gz KDICIAXXSXGCEO-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1ccc(Cl)cc1)C2 ZINC000660662426 419179264 /nfs/dbraw/zinc/17/92/64/419179264.db2.gz KDICIAXXSXGCEO-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC000660662426 419179267 /nfs/dbraw/zinc/17/92/67/419179267.db2.gz KDICIAXXSXGCEO-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCC(C)(C)C)C2 ZINC000660665745 419180030 /nfs/dbraw/zinc/18/00/30/419180030.db2.gz XPQPIFSAMUOFCX-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCC(C)(C)C)C2 ZINC000660665745 419180033 /nfs/dbraw/zinc/18/00/33/419180033.db2.gz XPQPIFSAMUOFCX-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCC(C)(C)C)C2 ZINC000660665745 419180035 /nfs/dbraw/zinc/18/00/35/419180035.db2.gz XPQPIFSAMUOFCX-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC[N@@H+]1C ZINC000666093985 419189797 /nfs/dbraw/zinc/18/97/97/419189797.db2.gz YQGYIRKIHMDDJO-BPLDGKMQSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC[N@H+]1C ZINC000666093985 419189801 /nfs/dbraw/zinc/18/98/01/419189801.db2.gz YQGYIRKIHMDDJO-BPLDGKMQSA-N 2 1 292.854 3.270 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666116819 419190411 /nfs/dbraw/zinc/19/04/11/419190411.db2.gz CUWKFAOIIOAMSR-OAHLLOKOSA-N 2 1 290.838 3.049 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c(C)c1 ZINC000657337422 419255067 /nfs/dbraw/zinc/25/50/67/419255067.db2.gz UXBGTZUNGQSSPH-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C3CCC3)CC2)CC[N@@H+]1C ZINC000657375448 419263457 /nfs/dbraw/zinc/26/34/57/419263457.db2.gz GJNPCQZPKBTOTD-MFNRNEDNSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C3CCC3)CC2)CC[N@H+]1C ZINC000657375448 419263459 /nfs/dbraw/zinc/26/34/59/419263459.db2.gz GJNPCQZPKBTOTD-MFNRNEDNSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CO1 ZINC000657384536 419266406 /nfs/dbraw/zinc/26/64/06/419266406.db2.gz UFWSQSXUCIGABL-BPQIPLTHSA-N 2 1 290.451 3.054 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786777 419218968 /nfs/dbraw/zinc/21/89/68/419218968.db2.gz XMXKMGWMQRCZRZ-MRXNPFEDSA-N 2 1 276.399 3.037 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CCCC1 ZINC000656788148 419218975 /nfs/dbraw/zinc/21/89/75/419218975.db2.gz DZFDAWSCGCHWBC-UHFFFAOYSA-N 2 1 281.403 3.110 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000656786972 419219887 /nfs/dbraw/zinc/21/98/87/419219887.db2.gz YQCDJPGWNGSLOE-CQSZACIVSA-N 2 1 294.389 3.176 20 0 CGADMP C[C@@]1(C[N@@H+](Cc2ccccc2F)CC2CC2)CC[NH2+]C1 ZINC000656790784 419221428 /nfs/dbraw/zinc/22/14/28/419221428.db2.gz AEZSOMPHPLFSNI-QGZVFWFLSA-N 2 1 276.399 3.037 20 0 CGADMP C[C@@]1(C[N@H+](Cc2ccccc2F)CC2CC2)CC[NH2+]C1 ZINC000656790784 419221429 /nfs/dbraw/zinc/22/14/29/419221429.db2.gz AEZSOMPHPLFSNI-QGZVFWFLSA-N 2 1 276.399 3.037 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@H]1CNC/C=C\c1ccccc1 ZINC000657525572 419297926 /nfs/dbraw/zinc/29/79/26/419297926.db2.gz STCPQCFWQDRQON-BJIFSAINSA-N 2 1 258.409 3.162 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC/C=C\c1ccccc1 ZINC000657525572 419297929 /nfs/dbraw/zinc/29/79/29/419297929.db2.gz STCPQCFWQDRQON-BJIFSAINSA-N 2 1 258.409 3.162 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662042907 419328077 /nfs/dbraw/zinc/32/80/77/419328077.db2.gz HOGFYZIWLGVBCD-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662042907 419328078 /nfs/dbraw/zinc/32/80/78/419328078.db2.gz HOGFYZIWLGVBCD-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)[C@H](C)C2 ZINC000657698763 419329106 /nfs/dbraw/zinc/32/91/06/419329106.db2.gz YLSCNKICACSFBR-WMEZAQDKSA-N 2 1 284.447 3.445 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2cc3cnccc3o2)C1 ZINC000657864407 419394933 /nfs/dbraw/zinc/39/49/33/419394933.db2.gz ZZZPOKYEOLKYCD-KBPBESRZSA-N 2 1 287.407 3.210 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000657864407 419394945 /nfs/dbraw/zinc/39/49/45/419394945.db2.gz ZZZPOKYEOLKYCD-KBPBESRZSA-N 2 1 287.407 3.210 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662236543 419369613 /nfs/dbraw/zinc/36/96/13/419369613.db2.gz FDKJKDXHEVGDDW-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCCSCC1)Cc1ccccc1 ZINC000657823391 419372901 /nfs/dbraw/zinc/37/29/01/419372901.db2.gz FFYLRNRVOGIOGW-QGZVFWFLSA-N 2 1 292.492 3.384 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000662266739 419376435 /nfs/dbraw/zinc/37/64/35/419376435.db2.gz OMBDYTIYSSEZFW-CYBMUJFWSA-N 2 1 270.367 3.129 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000662266739 419376438 /nfs/dbraw/zinc/37/64/38/419376438.db2.gz OMBDYTIYSSEZFW-CYBMUJFWSA-N 2 1 270.367 3.129 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272012 419380174 /nfs/dbraw/zinc/38/01/74/419380174.db2.gz BFUMZWQYEKILCK-ILXRZTDVSA-N 2 1 288.426 3.379 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)CC(F)F ZINC000662277351 419381496 /nfs/dbraw/zinc/38/14/96/419381496.db2.gz PZXALURJABIODN-DGCLKSJQSA-N 2 1 262.388 3.165 20 0 CGADMP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662274787 419382348 /nfs/dbraw/zinc/38/23/48/419382348.db2.gz MAMRJSVGNAZHOW-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662274787 419382351 /nfs/dbraw/zinc/38/23/51/419382351.db2.gz MAMRJSVGNAZHOW-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657840826 419382637 /nfs/dbraw/zinc/38/26/37/419382637.db2.gz KUPSSDLYYIIZHH-RYUDHWBXSA-N 2 1 283.366 3.012 20 0 CGADMP CC(C)=CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662274819 419383221 /nfs/dbraw/zinc/38/32/21/419383221.db2.gz XIEKAQXMDNCGJR-JKSUJKDBSA-N 2 1 250.430 3.054 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293575 419385781 /nfs/dbraw/zinc/38/57/81/419385781.db2.gz MCMROGZHTNHISF-DZGCQCFKSA-N 2 1 288.426 3.379 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCCC23CC3)[C@H](c2ccccc2)C1 ZINC000658041352 419517526 /nfs/dbraw/zinc/51/75/26/419517526.db2.gz BQGUJJPTZPELNA-SQNIBIBYSA-N 2 1 284.447 3.254 20 0 CGADMP C1=CC[C@@H](C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663346613 419566069 /nfs/dbraw/zinc/56/60/69/419566069.db2.gz AUNYIEJYGDRDTO-NVXWUHKLSA-N 2 1 262.441 3.054 20 0 CGADMP c1cc2c(cc[nH+]c2NCC[N@H+]2CCc3ccccc3C2)[nH]1 ZINC000663382302 419581918 /nfs/dbraw/zinc/58/19/18/419581918.db2.gz HHODONMOFWSYFR-UHFFFAOYSA-N 2 1 292.386 3.033 20 0 CGADMP COc1cccc2c1ncc(C)c2N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000663425395 419603106 /nfs/dbraw/zinc/60/31/06/419603106.db2.gz PXSHKCWXICZOSQ-CYBMUJFWSA-N 2 1 297.402 3.200 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467588 419618932 /nfs/dbraw/zinc/61/89/32/419618932.db2.gz GURDRTIXGFJTOB-QFBILLFUSA-N 2 1 284.447 3.386 20 0 CGADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000658230371 419689762 /nfs/dbraw/zinc/68/97/62/419689762.db2.gz MQYDVYIWVLDAGB-GJZGRUSLSA-N 2 1 282.497 3.269 20 0 CGADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000658230371 419689769 /nfs/dbraw/zinc/68/97/69/419689769.db2.gz MQYDVYIWVLDAGB-GJZGRUSLSA-N 2 1 282.497 3.269 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000658230544 419691464 /nfs/dbraw/zinc/69/14/64/419691464.db2.gz ZWEHDWBIDQHPLT-WMZOPIPTSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000658230544 419691470 /nfs/dbraw/zinc/69/14/70/419691470.db2.gz ZWEHDWBIDQHPLT-WMZOPIPTSA-N 2 1 294.483 3.188 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658256814 419712118 /nfs/dbraw/zinc/71/21/18/419712118.db2.gz ZMZLZWUVTHOKQQ-JKSUJKDBSA-N 2 1 294.483 3.187 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H](C)C1 ZINC000658264135 419720029 /nfs/dbraw/zinc/72/00/29/419720029.db2.gz GXVGYCXLLKRACP-LQULJDIASA-N 2 1 286.410 3.274 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1Cl ZINC000180429491 260101971 /nfs/dbraw/zinc/10/19/71/260101971.db2.gz URYVECOYZADTDQ-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000090220108 260339546 /nfs/dbraw/zinc/33/95/46/260339546.db2.gz FAXIHENLWKHHMD-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000221857895 262311785 /nfs/dbraw/zinc/31/17/85/262311785.db2.gz USZJQOIFMACWQY-LJIZCISZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000221857895 262311786 /nfs/dbraw/zinc/31/17/86/262311786.db2.gz USZJQOIFMACWQY-LJIZCISZSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1F ZINC000289562756 263110804 /nfs/dbraw/zinc/11/08/04/263110804.db2.gz JBIBACQWKNXVOG-XYPWUTKMSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1F ZINC000289562756 263110805 /nfs/dbraw/zinc/11/08/05/263110805.db2.gz JBIBACQWKNXVOG-XYPWUTKMSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1F ZINC000289562756 263110806 /nfs/dbraw/zinc/11/08/06/263110806.db2.gz JBIBACQWKNXVOG-XYPWUTKMSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1F ZINC000289562756 263110807 /nfs/dbraw/zinc/11/08/07/263110807.db2.gz JBIBACQWKNXVOG-XYPWUTKMSA-N 2 1 276.399 3.191 20 0 CGADMP CCC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000036996504 270028314 /nfs/dbraw/zinc/02/83/14/270028314.db2.gz FKAPZDCEPFCHJE-SSHXOBKSSA-N 2 1 250.430 3.172 20 0 CGADMP CCC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996504 270028315 /nfs/dbraw/zinc/02/83/15/270028315.db2.gz FKAPZDCEPFCHJE-SSHXOBKSSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000037236843 270029183 /nfs/dbraw/zinc/02/91/83/270029183.db2.gz DKLZNRQAXSYZPE-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535101 270036644 /nfs/dbraw/zinc/03/66/44/270036644.db2.gz BBADGCCTJQPTSQ-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCc3ccccc3C2)CCCC1 ZINC000105838565 270047924 /nfs/dbraw/zinc/04/79/24/270047924.db2.gz TTZMZPNQXLEEJY-QGZVFWFLSA-N 2 1 272.436 3.008 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000187662034 270069037 /nfs/dbraw/zinc/06/90/37/270069037.db2.gz BIEGOMSNSUVATM-AWEZNQCLSA-N 2 1 298.858 3.001 20 0 CGADMP CC[C@H]1CCCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192744954 270077821 /nfs/dbraw/zinc/07/78/21/270077821.db2.gz WNSWGXNGTCKODV-SFHVURJKSA-N 2 1 295.515 3.057 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000227299023 270086970 /nfs/dbraw/zinc/08/69/70/270086970.db2.gz SNWPNBLYTPJHAW-XOKHGSTOSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)CC[N@H+]1C ZINC000227299023 270086971 /nfs/dbraw/zinc/08/69/71/270086971.db2.gz SNWPNBLYTPJHAW-XOKHGSTOSA-N 2 1 258.409 3.210 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)C2CC2)C1 ZINC000237054639 270090006 /nfs/dbraw/zinc/09/00/06/270090006.db2.gz FDQMDGUZCWSCKE-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)C2CC2)C1 ZINC000237054639 270090007 /nfs/dbraw/zinc/09/00/07/270090007.db2.gz FDQMDGUZCWSCKE-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCC1 ZINC000322854281 270094081 /nfs/dbraw/zinc/09/40/81/270094081.db2.gz QVEYPDVUYDXVRA-UYTSQGDYSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000322854281 270094082 /nfs/dbraw/zinc/09/40/82/270094082.db2.gz QVEYPDVUYDXVRA-UYTSQGDYSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459561409 270096508 /nfs/dbraw/zinc/09/65/08/270096508.db2.gz LSXGLDHAGLUDSR-ZLPCBKJTSA-N 2 1 274.452 3.425 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459561409 270096509 /nfs/dbraw/zinc/09/65/09/270096509.db2.gz LSXGLDHAGLUDSR-ZLPCBKJTSA-N 2 1 274.452 3.425 20 0 CGADMP c1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)ccn1 ZINC000522007164 270103688 /nfs/dbraw/zinc/10/36/88/270103688.db2.gz BUYNOBJTLXYFKE-LJQANCHMSA-N 2 1 293.414 3.064 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527842479 270139020 /nfs/dbraw/zinc/13/90/20/270139020.db2.gz KHFUDDQLMPAMTI-MAUKXSAKSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CCc3ccccc3CC2)CC[N@H+]1C ZINC000527935458 270145565 /nfs/dbraw/zinc/14/55/65/270145565.db2.gz YRFBMNKIVMUOQV-HNAYVOBHSA-N 2 1 286.463 3.254 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000528414680 270164793 /nfs/dbraw/zinc/16/47/93/270164793.db2.gz FUQXPTYATRZGEJ-HIFRSBDPSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000528414680 270164794 /nfs/dbraw/zinc/16/47/94/270164794.db2.gz FUQXPTYATRZGEJ-HIFRSBDPSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000528414680 270164795 /nfs/dbraw/zinc/16/47/95/270164795.db2.gz FUQXPTYATRZGEJ-HIFRSBDPSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000531950679 270211358 /nfs/dbraw/zinc/21/13/58/270211358.db2.gz UQKATJOYLCXHJN-HPFXQQBRSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000531950679 270211359 /nfs/dbraw/zinc/21/13/59/270211359.db2.gz UQKATJOYLCXHJN-HPFXQQBRSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]1c1ccccc1 ZINC000532124516 270213974 /nfs/dbraw/zinc/21/39/74/270213974.db2.gz PQTCZKTYKKKEEL-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]1c1ccccc1 ZINC000532124516 270213975 /nfs/dbraw/zinc/21/39/75/270213975.db2.gz PQTCZKTYKKKEEL-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000532124516 270213976 /nfs/dbraw/zinc/21/39/76/270213976.db2.gz PQTCZKTYKKKEEL-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]1c1ccccc1 ZINC000532124516 270213977 /nfs/dbraw/zinc/21/39/77/270213977.db2.gz PQTCZKTYKKKEEL-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]1c1ccccc1 ZINC000532124513 270214053 /nfs/dbraw/zinc/21/40/53/270214053.db2.gz PQTCZKTYKKKEEL-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]1c1ccccc1 ZINC000532124513 270214054 /nfs/dbraw/zinc/21/40/54/270214054.db2.gz PQTCZKTYKKKEEL-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000532124513 270214055 /nfs/dbraw/zinc/21/40/55/270214055.db2.gz PQTCZKTYKKKEEL-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000532124513 270214056 /nfs/dbraw/zinc/21/40/56/270214056.db2.gz PQTCZKTYKKKEEL-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP CC(C)C[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000532380381 270216015 /nfs/dbraw/zinc/21/60/15/270216015.db2.gz YGJJLEFHHDKCMF-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000532380381 270216016 /nfs/dbraw/zinc/21/60/16/270216016.db2.gz YGJJLEFHHDKCMF-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000532380381 270216017 /nfs/dbraw/zinc/21/60/17/270216017.db2.gz YGJJLEFHHDKCMF-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000352587647 273650091 /nfs/dbraw/zinc/65/00/91/273650091.db2.gz CMMCBAUGFQSXIQ-GOSISDBHSA-N 2 1 272.436 3.446 20 0 CGADMP C[NH+](C)C1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000302145742 273792718 /nfs/dbraw/zinc/79/27/18/273792718.db2.gz RAOKGCJANLQGJR-UHFFFAOYSA-N 2 1 295.308 3.004 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCC(C)C)C2CC2)cc1 ZINC000420299491 274116635 /nfs/dbraw/zinc/11/66/35/274116635.db2.gz GQSOIGDNXHJNQE-INIZCTEOSA-N 2 1 290.451 3.248 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)CCC2 ZINC000423258347 274133699 /nfs/dbraw/zinc/13/36/99/274133699.db2.gz BKCGSEYJANIHTA-PBHICJAKSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000335037249 274261966 /nfs/dbraw/zinc/26/19/66/274261966.db2.gz BUOOOCPDOCLNGN-PXAZEXFGSA-N 2 1 267.376 3.222 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1Cl)CC[NH2+]CC2 ZINC000424301127 274284314 /nfs/dbraw/zinc/28/43/14/274284314.db2.gz XCNHKENHFNUHGE-CYBMUJFWSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@@H]1[NH3+] ZINC000094339143 274345203 /nfs/dbraw/zinc/34/52/03/274345203.db2.gz LZTHQTLYIIAOML-ACJLOTCBSA-N 2 1 278.399 3.426 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000277160641 274354435 /nfs/dbraw/zinc/35/44/35/274354435.db2.gz QYFYZPRHQMBUGV-CJNGLKHVSA-N 2 1 294.389 3.284 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000277160641 274354439 /nfs/dbraw/zinc/35/44/39/274354439.db2.gz QYFYZPRHQMBUGV-CJNGLKHVSA-N 2 1 294.389 3.284 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000289282236 274613990 /nfs/dbraw/zinc/61/39/90/274613990.db2.gz QGGGFQMTDFUYME-SCLBCKFNSA-N 2 1 270.420 3.451 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCC[NH2+]C1 ZINC000423351996 274651141 /nfs/dbraw/zinc/65/11/41/274651141.db2.gz ZXFPUAUEQIIMLN-WBMJQRKESA-N 2 1 298.352 3.071 20 0 CGADMP C([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCSC1 ZINC000487318413 275394780 /nfs/dbraw/zinc/39/47/80/275394780.db2.gz HVQRMHNBXIVUFE-IRXDYDNUSA-N 2 1 296.524 3.374 20 0 CGADMP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000311420381 275563510 /nfs/dbraw/zinc/56/35/10/275563510.db2.gz BILCFTUAMWBZPS-QGZVFWFLSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC000488468459 275700514 /nfs/dbraw/zinc/70/05/14/275700514.db2.gz RWXIDFWTZNPJRS-JYJNAYRXSA-N 2 1 284.513 3.227 20 0 CGADMP CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183192414 276015181 /nfs/dbraw/zinc/01/51/81/276015181.db2.gz CPORKUXKBBVSLK-SOUVJXGZSA-N 2 1 252.446 3.274 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423399202 276106735 /nfs/dbraw/zinc/10/67/35/276106735.db2.gz WCYTTZHELFKESG-RRFJBIMHSA-N 2 1 270.436 3.273 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000372950124 276180106 /nfs/dbraw/zinc/18/01/06/276180106.db2.gz OECHOWWPZYABIS-YLFCFFPRSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000372950124 276180109 /nfs/dbraw/zinc/18/01/09/276180109.db2.gz OECHOWWPZYABIS-YLFCFFPRSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000372950124 276180111 /nfs/dbraw/zinc/18/01/11/276180111.db2.gz OECHOWWPZYABIS-YLFCFFPRSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000372950124 276180113 /nfs/dbraw/zinc/18/01/13/276180113.db2.gz OECHOWWPZYABIS-YLFCFFPRSA-N 2 1 262.441 3.005 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000312986250 276212715 /nfs/dbraw/zinc/21/27/15/276212715.db2.gz HIDCZYWRZFJDDT-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@@H](C)C1 ZINC000336092329 276228025 /nfs/dbraw/zinc/22/80/25/276228025.db2.gz JELNMJRUHZVQEB-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C3CCC3)CCC2)[C@@H](C)C1 ZINC000453388135 276228224 /nfs/dbraw/zinc/22/82/24/276228224.db2.gz FRQMOFSTWYPWSV-HOCLYGCPSA-N 2 1 264.457 3.277 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)C1 ZINC000449090022 276263859 /nfs/dbraw/zinc/26/38/59/276263859.db2.gz FYWJHRXIXZQIRS-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279733875 276263877 /nfs/dbraw/zinc/26/38/77/276263877.db2.gz NWVYTZHGXTURSU-JFIYKMOQSA-N 2 1 290.451 3.084 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Cl)cn1 ZINC000274948921 287897433 /nfs/dbraw/zinc/89/74/33/287897433.db2.gz UWSYPFMNHBZSQG-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[N@@H+]([C@@H]1CC[C@@](C)(c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000414651691 277001849 /nfs/dbraw/zinc/00/18/49/277001849.db2.gz FVTSUUFRCHDSOZ-QZTJIDSGSA-N 2 1 272.436 3.181 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469992670 277029243 /nfs/dbraw/zinc/02/92/43/277029243.db2.gz MSJURQUUUOMIDF-ZBFHGGJFSA-N 2 1 252.446 3.134 20 0 CGADMP COCC(C)(C)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000494124925 277196549 /nfs/dbraw/zinc/19/65/49/277196549.db2.gz JWHFPUMEFGKSNA-MRXNPFEDSA-N 2 1 292.467 3.159 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000436302162 277358178 /nfs/dbraw/zinc/35/81/78/277358178.db2.gz RPTGXWXRLSOTTC-XMTFNYHQSA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000436302162 277358179 /nfs/dbraw/zinc/35/81/79/277358179.db2.gz RPTGXWXRLSOTTC-XMTFNYHQSA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422817586 277386310 /nfs/dbraw/zinc/38/63/10/277386310.db2.gz HXMFVQIOGARIQR-SJLPKXTDSA-N 3 1 295.515 3.007 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000481306560 277778120 /nfs/dbraw/zinc/77/81/20/277778120.db2.gz INUAQRHBLXECFL-HRCADAONSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000447582002 278225081 /nfs/dbraw/zinc/22/50/81/278225081.db2.gz VSUDJICWVGUJHA-OFQRWUPVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000447582002 278225082 /nfs/dbraw/zinc/22/50/82/278225082.db2.gz VSUDJICWVGUJHA-OFQRWUPVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000397438503 288023767 /nfs/dbraw/zinc/02/37/67/288023767.db2.gz HMIDJXBOUXDRFE-FMKPAKJESA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000397438503 288023768 /nfs/dbraw/zinc/02/37/68/288023768.db2.gz HMIDJXBOUXDRFE-FMKPAKJESA-N 2 1 299.418 3.147 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397628189 288025640 /nfs/dbraw/zinc/02/56/40/288025640.db2.gz STFBFNMBRUNAKB-OLMTUDMXSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414657227 278259834 /nfs/dbraw/zinc/25/98/34/278259834.db2.gz NZXNVRFARCXENW-FZMZJTMJSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414657227 278259836 /nfs/dbraw/zinc/25/98/36/278259836.db2.gz NZXNVRFARCXENW-FZMZJTMJSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CC2)CC1 ZINC000488428453 278259966 /nfs/dbraw/zinc/25/99/66/278259966.db2.gz BBJCHALZTIOKMR-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CC2)CC1 ZINC000488428453 278259968 /nfs/dbraw/zinc/25/99/68/278259968.db2.gz BBJCHALZTIOKMR-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CC1(C)C ZINC000397789782 288030787 /nfs/dbraw/zinc/03/07/87/288030787.db2.gz ZDFRYRYNZRBERP-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000261591838 278339418 /nfs/dbraw/zinc/33/94/18/278339418.db2.gz YCAPPFTXPFJKFT-SECBINFHSA-N 2 1 260.303 3.093 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC000474483239 278339690 /nfs/dbraw/zinc/33/96/90/278339690.db2.gz UIYSDJBDANJPDY-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1C[C@H]1C ZINC000414086321 278343860 /nfs/dbraw/zinc/34/38/60/278343860.db2.gz ZGZBVBQIAFNRHV-JJTUDDRGSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1c[nH+]ccc1N ZINC000423137388 278354095 /nfs/dbraw/zinc/35/40/95/278354095.db2.gz WKBLNKCFANMWCY-NEPJUHHUSA-N 2 1 283.366 3.360 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccsc1 ZINC000423268890 278380050 /nfs/dbraw/zinc/38/00/50/278380050.db2.gz VGYJYOKDIOFBQJ-BXUZGUMPSA-N 2 1 252.427 3.306 20 0 CGADMP Cc1ccc(C2(C[NH2+]C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000449379614 278799280 /nfs/dbraw/zinc/79/92/80/278799280.db2.gz UGWYNPZOVBGKHX-UHFFFAOYSA-N 2 1 272.436 3.019 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414199632 279023479 /nfs/dbraw/zinc/02/34/79/279023479.db2.gz XOKQNVXULPEYHT-VKJFTORMSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000249312057 288104871 /nfs/dbraw/zinc/10/48/71/288104871.db2.gz MDDHMGGSIYYYCE-KNCCTNLNSA-N 2 1 272.436 3.382 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000459745913 288101164 /nfs/dbraw/zinc/10/11/64/288101164.db2.gz YVAMAGPKCXAJKL-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000475362189 279160898 /nfs/dbraw/zinc/16/08/98/279160898.db2.gz UGFYRAUDNSBIKI-BMFZPTHFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@@H+]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414657938 279306233 /nfs/dbraw/zinc/30/62/33/279306233.db2.gz PJZMVIBARROSEN-GFCCVEGCSA-N 2 1 286.341 3.104 20 0 CGADMP C[C@H](C[N@H+]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414657938 279306235 /nfs/dbraw/zinc/30/62/35/279306235.db2.gz PJZMVIBARROSEN-GFCCVEGCSA-N 2 1 286.341 3.104 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415067388 279378827 /nfs/dbraw/zinc/37/88/27/279378827.db2.gz OZYNSJFKUVZCCZ-WBMJQRKESA-N 2 1 280.843 3.378 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000127296558 279421855 /nfs/dbraw/zinc/42/18/55/279421855.db2.gz YYDLCBNAGBBINB-QWRGUYRKSA-N 2 1 275.783 3.062 20 0 CGADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417306256 279481473 /nfs/dbraw/zinc/48/14/73/279481473.db2.gz CFFKOKOTZXZZBU-SPWCGHHHSA-N 2 1 278.465 3.170 20 0 CGADMP CCc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000520675409 288135473 /nfs/dbraw/zinc/13/54/73/288135473.db2.gz RVOOICXPYPPVDC-MAUKXSAKSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000520675409 288135474 /nfs/dbraw/zinc/13/54/74/288135474.db2.gz RVOOICXPYPPVDC-MAUKXSAKSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000520675409 288135475 /nfs/dbraw/zinc/13/54/75/288135475.db2.gz RVOOICXPYPPVDC-MAUKXSAKSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000520675409 288135477 /nfs/dbraw/zinc/13/54/77/288135477.db2.gz RVOOICXPYPPVDC-MAUKXSAKSA-N 2 1 274.452 3.206 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527634273 288179242 /nfs/dbraw/zinc/17/92/42/288179242.db2.gz WABJLKKBLGVJFX-UHFFFAOYSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000341397174 280009552 /nfs/dbraw/zinc/00/95/52/280009552.db2.gz NFDJKXVLWTXHTE-GFJIZPEISA-N 2 1 292.389 3.427 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414745399 280154203 /nfs/dbraw/zinc/15/42/03/280154203.db2.gz XNNKPPGCMXVIOU-KZNAEPCWSA-N 2 1 272.436 3.168 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248156659 280186597 /nfs/dbraw/zinc/18/65/97/280186597.db2.gz RKQRDFQHVOYMEA-LSDHHAIUSA-N 2 1 296.480 3.026 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000453295637 280296079 /nfs/dbraw/zinc/29/60/79/280296079.db2.gz XPJQZNSNHWGBJC-UYJHQMFVSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000178959833 281097786 /nfs/dbraw/zinc/09/77/86/281097786.db2.gz AJAFSJVBZXTZJQ-HFTRVMKXSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000178959833 281097789 /nfs/dbraw/zinc/09/77/89/281097789.db2.gz AJAFSJVBZXTZJQ-HFTRVMKXSA-N 2 1 272.436 3.445 20 0 CGADMP FC(F)(F)c1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000530205524 288299275 /nfs/dbraw/zinc/29/92/75/288299275.db2.gz HWFSAQUTELCOIA-UHFFFAOYSA-N 2 1 298.352 3.063 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCCC1(C)C)c1c[nH+]ccc1N ZINC000530213477 288300368 /nfs/dbraw/zinc/30/03/68/288300368.db2.gz VUMAIIXWULRYKM-CHWSQXEVSA-N 2 1 261.413 3.361 20 0 CGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000531339964 288334595 /nfs/dbraw/zinc/33/45/95/288334595.db2.gz KPNQJENZZQAFQL-NVAPOSRTSA-N 2 1 284.447 3.364 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000531339964 288334597 /nfs/dbraw/zinc/33/45/97/288334597.db2.gz KPNQJENZZQAFQL-NVAPOSRTSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000531339964 288334599 /nfs/dbraw/zinc/33/45/99/288334599.db2.gz KPNQJENZZQAFQL-NVAPOSRTSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000531339964 288334600 /nfs/dbraw/zinc/33/46/00/288334600.db2.gz KPNQJENZZQAFQL-NVAPOSRTSA-N 2 1 284.447 3.364 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1(CC)CC ZINC000532249992 288358775 /nfs/dbraw/zinc/35/87/75/288358775.db2.gz KYDQGQBYTUBRGI-LTIDMASMSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCOCC1 ZINC000532479194 288364373 /nfs/dbraw/zinc/36/43/73/288364373.db2.gz UYVFIRBCSRAXDW-BPQIPLTHSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H](C[NH+]1C[C@@H](C)C[C@H]1C)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533432392 288381227 /nfs/dbraw/zinc/38/12/27/288381227.db2.gz ZKGBWZMRRKFEMM-FRXHMLBDSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H]1C)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000533432392 288381229 /nfs/dbraw/zinc/38/12/29/288381229.db2.gz ZKGBWZMRRKFEMM-FRXHMLBDSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H]1C)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000533432392 288381231 /nfs/dbraw/zinc/38/12/31/288381231.db2.gz ZKGBWZMRRKFEMM-FRXHMLBDSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@H]([NH2+]C1(C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483695 289008511 /nfs/dbraw/zinc/00/85/11/289008511.db2.gz PURWXCCPOGLTTP-DOTOQJQBSA-N 2 1 284.447 3.429 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)nc1 ZINC000548721584 289018609 /nfs/dbraw/zinc/01/86/09/289018609.db2.gz GDQXVYQKKSFJHP-KRWDZBQOSA-N 2 1 273.424 3.095 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)nc1 ZINC000548721584 289018610 /nfs/dbraw/zinc/01/86/10/289018610.db2.gz GDQXVYQKKSFJHP-KRWDZBQOSA-N 2 1 273.424 3.095 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000549237280 289038730 /nfs/dbraw/zinc/03/87/30/289038730.db2.gz MKADSPZFVKKWHE-SJLPKXTDSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000549237280 289038732 /nfs/dbraw/zinc/03/87/32/289038732.db2.gz MKADSPZFVKKWHE-SJLPKXTDSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)=CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176798 289100806 /nfs/dbraw/zinc/10/08/06/289100806.db2.gz FVDMZILAUQAXBK-DLBZAZTESA-N 2 1 258.409 3.378 20 0 CGADMP CC(C)=CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176798 289100808 /nfs/dbraw/zinc/10/08/08/289100808.db2.gz FVDMZILAUQAXBK-DLBZAZTESA-N 2 1 258.409 3.378 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050650 289155775 /nfs/dbraw/zinc/15/57/75/289155775.db2.gz OBGGHXFGQDVTDX-IXDOHACOSA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050650 289155777 /nfs/dbraw/zinc/15/57/77/289155777.db2.gz OBGGHXFGQDVTDX-IXDOHACOSA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000552050651 289155796 /nfs/dbraw/zinc/15/57/96/289155796.db2.gz OBGGHXFGQDVTDX-ULQDDVLXSA-N 2 1 289.467 3.409 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000552063206 289157557 /nfs/dbraw/zinc/15/75/57/289157557.db2.gz SIAJDVSUYZDDJR-FHWLQOOXSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000246989757 290009074 /nfs/dbraw/zinc/00/90/74/290009074.db2.gz JITPDQUFQWLWEL-IUIKQTSFSA-N 2 1 282.378 3.488 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338689134 290019639 /nfs/dbraw/zinc/01/96/39/290019639.db2.gz RILJVDPSHXOIFG-IJCBKZNRSA-N 2 1 284.447 3.395 20 0 CGADMP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414886597 294686168 /nfs/dbraw/zinc/68/61/68/294686168.db2.gz QCZPXNYSXIGAKA-ILXRZTDVSA-N 2 1 298.352 3.293 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166648537 298378420 /nfs/dbraw/zinc/37/84/20/298378420.db2.gz IHSUXRKNLGZJMG-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000563722207 322007927 /nfs/dbraw/zinc/00/79/27/322007927.db2.gz KZVAVEAGUMVXHR-OCCSQVGLSA-N 2 1 266.816 3.268 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000563722207 322007928 /nfs/dbraw/zinc/00/79/28/322007928.db2.gz KZVAVEAGUMVXHR-OCCSQVGLSA-N 2 1 266.816 3.268 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000564822013 322044841 /nfs/dbraw/zinc/04/48/41/322044841.db2.gz BBPPCDRNUUHQSU-LLVKDONJSA-N 2 1 256.340 3.004 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566230102 322110420 /nfs/dbraw/zinc/11/04/20/322110420.db2.gz GVGILWICKMDTFE-JKSUJKDBSA-N 2 1 298.455 3.456 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CCC2 ZINC000566242656 322111155 /nfs/dbraw/zinc/11/11/55/322111155.db2.gz HCLYHJAVHBYKDX-MSOLQXFVSA-N 2 1 288.410 3.279 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624445 322170975 /nfs/dbraw/zinc/17/09/75/322170975.db2.gz PITQMBZMJOCIGF-SMDDNHRTSA-N 2 1 281.469 3.065 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000567871476 322181241 /nfs/dbraw/zinc/18/12/41/322181241.db2.gz DCHCBOKRIKPUKU-ROUUACIJSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000568404749 322207533 /nfs/dbraw/zinc/20/75/33/322207533.db2.gz KPTODZPAQSMIJQ-KZNAEPCWSA-N 2 1 272.436 3.266 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000568414087 322208662 /nfs/dbraw/zinc/20/86/62/322208662.db2.gz ZZWGASZUGJBLDR-INIZCTEOSA-N 2 1 285.435 3.378 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCc1cncn1C ZINC000568881932 322226080 /nfs/dbraw/zinc/22/60/80/322226080.db2.gz ZGJJQJAWZJVRLZ-CQSZACIVSA-N 2 1 257.381 3.046 20 0 CGADMP C[C@H](c1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000568881932 322226083 /nfs/dbraw/zinc/22/60/83/322226083.db2.gz ZGJJQJAWZJVRLZ-CQSZACIVSA-N 2 1 257.381 3.046 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000568881932 322226085 /nfs/dbraw/zinc/22/60/85/322226085.db2.gz ZGJJQJAWZJVRLZ-CQSZACIVSA-N 2 1 257.381 3.046 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000569256636 322241072 /nfs/dbraw/zinc/24/10/72/322241072.db2.gz QMFIAQKETZHQDQ-HIFRSBDPSA-N 2 1 263.429 3.157 20 0 CGADMP CC(C)C(C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)C(C)C ZINC000569741857 322256039 /nfs/dbraw/zinc/25/60/39/322256039.db2.gz CCCMIFPWANJJKG-GDBMZVCRSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)C(C)C ZINC000569741857 322256041 /nfs/dbraw/zinc/25/60/41/322256041.db2.gz CCCMIFPWANJJKG-GDBMZVCRSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000569741857 322256043 /nfs/dbraw/zinc/25/60/43/322256043.db2.gz CCCMIFPWANJJKG-GDBMZVCRSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000569741857 322256045 /nfs/dbraw/zinc/25/60/45/322256045.db2.gz CCCMIFPWANJJKG-GDBMZVCRSA-N 2 1 254.462 3.187 20 0 CGADMP Cc1ccccc1C[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000570222218 322268282 /nfs/dbraw/zinc/26/82/82/322268282.db2.gz IWDFHCWWEHFJOR-MRXNPFEDSA-N 2 1 285.435 3.224 20 0 CGADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000570222218 322268284 /nfs/dbraw/zinc/26/82/84/322268284.db2.gz IWDFHCWWEHFJOR-MRXNPFEDSA-N 2 1 285.435 3.224 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000570823602 322283072 /nfs/dbraw/zinc/28/30/72/322283072.db2.gz KQSXYMURHKSCDG-MRXNPFEDSA-N 2 1 285.435 3.224 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000570823602 322283073 /nfs/dbraw/zinc/28/30/73/322283073.db2.gz KQSXYMURHKSCDG-MRXNPFEDSA-N 2 1 285.435 3.224 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000571053457 322288815 /nfs/dbraw/zinc/28/88/15/322288815.db2.gz LTRWBSFXAKYPPN-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1nc(C(C)C)ccc1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000572157280 322322588 /nfs/dbraw/zinc/32/25/88/322322588.db2.gz MHVJEEMWFOYGFH-HNNXBMFYSA-N 2 1 294.464 3.077 20 0 CGADMP Cc1nc(C(C)C)ccc1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000572157280 322322590 /nfs/dbraw/zinc/32/25/90/322322590.db2.gz MHVJEEMWFOYGFH-HNNXBMFYSA-N 2 1 294.464 3.077 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000572527317 322341913 /nfs/dbraw/zinc/34/19/13/322341913.db2.gz XUUCXJOWHVVWST-XJKSGUPXSA-N 2 1 278.465 3.227 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000572892574 322360214 /nfs/dbraw/zinc/36/02/14/322360214.db2.gz IZGWNFUPDYVNMX-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000572892574 322360216 /nfs/dbraw/zinc/36/02/16/322360216.db2.gz IZGWNFUPDYVNMX-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OCC ZINC000573197668 322375541 /nfs/dbraw/zinc/37/55/41/322375541.db2.gz RLCWOTPVOLFMIU-LBPRGKRZSA-N 2 1 284.831 3.389 20 0 CGADMP CC1=CC[C@@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000573583723 322395671 /nfs/dbraw/zinc/39/56/71/322395671.db2.gz CHMNQLYAKNWCCJ-OAHLLOKOSA-N 2 1 250.430 3.339 20 0 CGADMP CC1=CC[C@@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000573583723 322395674 /nfs/dbraw/zinc/39/56/74/322395674.db2.gz CHMNQLYAKNWCCJ-OAHLLOKOSA-N 2 1 250.430 3.339 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1csc(Cl)c1 ZINC000191276552 330132439 /nfs/dbraw/zinc/13/24/39/330132439.db2.gz HTQFQKMYTDXKRY-QWRGUYRKSA-N 2 1 272.845 3.394 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000191276552 330132440 /nfs/dbraw/zinc/13/24/40/330132440.db2.gz HTQFQKMYTDXKRY-QWRGUYRKSA-N 2 1 272.845 3.394 20 0 CGADMP COc1cccc2c(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)ccnc12 ZINC000576201646 335168502 /nfs/dbraw/zinc/16/85/02/335168502.db2.gz IMPLNDBGNZDQRO-QWHCGFSZSA-N 2 1 297.402 3.281 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1c(OC(F)F)ccc2ccccc21 ZINC000576465243 335207174 /nfs/dbraw/zinc/20/71/74/335207174.db2.gz ZCRSWGHEXDVTJB-UHFFFAOYSA-N 2 1 294.345 3.222 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000577561821 335368671 /nfs/dbraw/zinc/36/86/71/335368671.db2.gz FEBKLVKUHHTISF-CVEARBPZSA-N 2 1 292.467 3.423 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000577561821 335368673 /nfs/dbraw/zinc/36/86/73/335368673.db2.gz FEBKLVKUHHTISF-CVEARBPZSA-N 2 1 292.467 3.423 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC2CCC1CC2 ZINC000381516239 336067097 /nfs/dbraw/zinc/06/70/97/336067097.db2.gz LSSLUTARWLCOIU-CJGYBVCLSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC2CCC1CC2 ZINC000381516239 336067099 /nfs/dbraw/zinc/06/70/99/336067099.db2.gz LSSLUTARWLCOIU-CJGYBVCLSA-N 2 1 264.457 3.274 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000381536062 336067765 /nfs/dbraw/zinc/06/77/65/336067765.db2.gz QQFVXCIADWVMEX-VXTDNTOSSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000383266009 336106838 /nfs/dbraw/zinc/10/68/38/336106838.db2.gz HPOVHRCXFHZWOB-YESZJQIVSA-N 2 1 272.436 3.357 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000385864692 336158186 /nfs/dbraw/zinc/15/81/86/336158186.db2.gz SUVHASYBFYHFBZ-AKZYDZMLSA-N 2 1 284.513 3.227 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000385864707 336158195 /nfs/dbraw/zinc/15/81/95/336158195.db2.gz SUVHASYBFYHFBZ-RKVQBDSKSA-N 2 1 284.513 3.227 20 0 CGADMP C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1CCCC[NH2+]1 ZINC000386379327 336171897 /nfs/dbraw/zinc/17/18/97/336171897.db2.gz CSNLTJDURWPERI-CMPLNLGQSA-N 2 1 272.845 3.064 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532900 533773584 /nfs/dbraw/zinc/77/35/84/533773584.db2.gz RXOWXVJUCIPNKI-FHLIZLRMSA-N 2 1 272.436 3.300 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423258097 533867538 /nfs/dbraw/zinc/86/75/38/533867538.db2.gz AZMQTUDCLCQDLN-DLBZAZTESA-N 2 1 288.435 3.180 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360965823 534002123 /nfs/dbraw/zinc/00/21/23/534002123.db2.gz ITEGNIVYTPMCFA-NFAWXSAZSA-N 2 1 266.454 3.142 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360965823 534002128 /nfs/dbraw/zinc/00/21/28/534002128.db2.gz ITEGNIVYTPMCFA-NFAWXSAZSA-N 2 1 266.454 3.142 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000423404201 534007504 /nfs/dbraw/zinc/00/75/04/534007504.db2.gz ZAVQXVVSVVOWEP-SCVCMEIPSA-N 2 1 270.779 3.270 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000449061309 534259112 /nfs/dbraw/zinc/25/91/12/534259112.db2.gz IFDOWAFGKSDEIJ-GJZGRUSLSA-N 2 1 264.413 3.065 20 0 CGADMP CCc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157455516 521845935 /nfs/dbraw/zinc/84/59/35/521845935.db2.gz UCBPKMCGSKWJHL-MSOLQXFVSA-N 2 1 266.388 3.483 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000449032424 534691657 /nfs/dbraw/zinc/69/16/57/534691657.db2.gz YMBQJYPQYXAZII-IBGZPJMESA-N 2 1 286.463 3.488 20 0 CGADMP CC[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000054468851 523883924 /nfs/dbraw/zinc/88/39/24/523883924.db2.gz LDZWHHYVOQIWQT-INIZCTEOSA-N 2 1 274.452 3.329 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000459747163 536384500 /nfs/dbraw/zinc/38/45/00/536384500.db2.gz ZYLXVSWABDSGJB-CQSZACIVSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277538436 524615459 /nfs/dbraw/zinc/61/54/59/524615459.db2.gz QFIFGFIHEGKWDQ-YOEHRIQHSA-N 2 1 278.415 3.345 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1F ZINC000088164076 524753461 /nfs/dbraw/zinc/75/34/61/524753461.db2.gz KWLVKWUNSFGBLJ-MQVJKMGUSA-N 2 1 276.399 3.239 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000157478025 525338567 /nfs/dbraw/zinc/33/85/67/525338567.db2.gz QSECTBDBJLVINB-RZAIGCCYSA-N 2 1 282.387 3.491 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)CCC2 ZINC000278875020 525484877 /nfs/dbraw/zinc/48/48/77/525484877.db2.gz CCLXLFWEXICXBK-CABCVRRESA-N 2 1 295.430 3.285 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000049159326 525916637 /nfs/dbraw/zinc/91/66/37/525916637.db2.gz ZDNPKVCEOZLULS-FUDCBSFHSA-N 2 1 264.438 3.332 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453238922 534911748 /nfs/dbraw/zinc/91/17/48/534911748.db2.gz WUNLCZGYSAQKLJ-AEFFLSMTSA-N 2 1 289.467 3.257 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453238922 534911750 /nfs/dbraw/zinc/91/17/50/534911750.db2.gz WUNLCZGYSAQKLJ-AEFFLSMTSA-N 2 1 289.467 3.257 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000415056192 526697080 /nfs/dbraw/zinc/69/70/80/526697080.db2.gz PLGKQXBAGJWMBY-LBPRGKRZSA-N 2 1 275.223 3.456 20 0 CGADMP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414301295 526727070 /nfs/dbraw/zinc/72/70/70/526727070.db2.gz LPSLKJYYPNKLHQ-HOTGVXAUSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000049538799 526744002 /nfs/dbraw/zinc/74/40/02/526744002.db2.gz FATHLSFCYPLLBJ-SNVBAGLBSA-N 2 1 267.442 3.072 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCc2ccc(Cl)cc2)C1 ZINC000459549060 536475504 /nfs/dbraw/zinc/47/55/04/536475504.db2.gz CIJRXKPCMNKBFB-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549060 536475507 /nfs/dbraw/zinc/47/55/07/536475507.db2.gz CIJRXKPCMNKBFB-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549060 536475508 /nfs/dbraw/zinc/47/55/08/536475508.db2.gz CIJRXKPCMNKBFB-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000163913432 527191962 /nfs/dbraw/zinc/19/19/62/527191962.db2.gz PDNYDORVORKAKS-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOC2CCCCC2)c2ccccc21 ZINC000157451036 527375543 /nfs/dbraw/zinc/37/55/43/527375543.db2.gz LWUZSBAJCVAEDV-IAGOWNOFSA-N 2 1 274.408 3.070 20 0 CGADMP C([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCSC1 ZINC000366661555 527489068 /nfs/dbraw/zinc/48/90/68/527489068.db2.gz CYLGPRKEKUEMCT-ZBFHGGJFSA-N 2 1 282.497 3.126 20 0 CGADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000157619868 527585382 /nfs/dbraw/zinc/58/53/82/527585382.db2.gz YZNWGRPSVSZBBI-UKRRQHHQSA-N 2 1 292.471 3.081 20 0 CGADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000157619868 527585387 /nfs/dbraw/zinc/58/53/87/527585387.db2.gz YZNWGRPSVSZBBI-UKRRQHHQSA-N 2 1 292.471 3.081 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000191702545 527589132 /nfs/dbraw/zinc/58/91/32/527589132.db2.gz SNFGQUAVEZDDPP-IJEWVQPXSA-N 2 1 254.462 3.233 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000436302159 527768559 /nfs/dbraw/zinc/76/85/59/527768559.db2.gz RPTGXWXRLSOTTC-BRSBDYLESA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000436302159 527768563 /nfs/dbraw/zinc/76/85/63/527768563.db2.gz RPTGXWXRLSOTTC-BRSBDYLESA-N 2 1 296.499 3.433 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C)c2)C[C@@H]1C ZINC000449026229 527834549 /nfs/dbraw/zinc/83/45/49/527834549.db2.gz DXJHMKDBLOGUGY-WFASDCNBSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C)c2)C[C@@H]1C ZINC000449026229 527834553 /nfs/dbraw/zinc/83/45/53/527834553.db2.gz DXJHMKDBLOGUGY-WFASDCNBSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C)c2)C[C@@H]1C ZINC000449026229 527834558 /nfs/dbraw/zinc/83/45/58/527834558.db2.gz DXJHMKDBLOGUGY-WFASDCNBSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C)c2)C[C@@H]1C ZINC000449026229 527834563 /nfs/dbraw/zinc/83/45/63/527834563.db2.gz DXJHMKDBLOGUGY-WFASDCNBSA-N 2 1 266.454 3.361 20 0 CGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000449151575 527859977 /nfs/dbraw/zinc/85/99/77/527859977.db2.gz AQXPCSRAJYGINW-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449188629 527955349 /nfs/dbraw/zinc/95/53/49/527955349.db2.gz SRODJBKBQCGXQM-OAHLLOKOSA-N 2 1 284.488 3.290 20 0 CGADMP CC1(F)CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000449371852 528015014 /nfs/dbraw/zinc/01/50/14/528015014.db2.gz ZHGNAKMXAQMNHV-UHFFFAOYSA-N 2 1 276.399 3.131 20 0 CGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)C12CCCC2 ZINC000359214376 528072617 /nfs/dbraw/zinc/07/26/17/528072617.db2.gz IRZUCKMPSZBIDJ-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423315560 528163281 /nfs/dbraw/zinc/16/32/81/528163281.db2.gz IZIBTEYTXJTBEG-DYVFJYSZSA-N 2 1 276.424 3.109 20 0 CGADMP CCC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C(C)(C)C ZINC000423517372 528213517 /nfs/dbraw/zinc/21/35/17/528213517.db2.gz YETJZBGXGVRGPD-JCYILVPMSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000423388986 528315163 /nfs/dbraw/zinc/31/51/63/528315163.db2.gz NVRLECKFQXCDRR-SDDRHHMPSA-N 2 1 267.442 3.187 20 0 CGADMP CC[N@@H+](CCC[NH2+]C)Cc1ccc2ccccc2c1 ZINC000435886610 528458926 /nfs/dbraw/zinc/45/89/26/528458926.db2.gz ZOGFERZRLUZFSR-UHFFFAOYSA-N 2 1 256.393 3.271 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000359646059 528818042 /nfs/dbraw/zinc/81/80/42/528818042.db2.gz TXLTUFATTNRLCA-RHSMWYFYSA-N 2 1 260.425 3.240 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000423298865 528820061 /nfs/dbraw/zinc/82/00/61/528820061.db2.gz PAKPGPCTHYTZDN-RYUDHWBXSA-N 2 1 254.443 3.479 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2sccc21 ZINC000423297649 528822182 /nfs/dbraw/zinc/82/21/82/528822182.db2.gz LEBRPTRBBSWLCY-WCQYABFASA-N 2 1 252.427 3.233 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000423304014 528823435 /nfs/dbraw/zinc/82/34/35/528823435.db2.gz XZOPIJSBNRAEEQ-KGLIPLIRSA-N 2 1 294.439 3.180 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000423298229 528823865 /nfs/dbraw/zinc/82/38/65/528823865.db2.gz NRXUMWSSOBQLJE-LSDHHAIUSA-N 2 1 292.423 3.016 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000423287138 528952020 /nfs/dbraw/zinc/95/20/20/528952020.db2.gz KMFLGUHDNAAPRW-LBPRGKRZSA-N 2 1 280.460 3.115 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423296292 528952510 /nfs/dbraw/zinc/95/25/10/528952510.db2.gz GMNVNUOQLJCNAM-ISXOHVOVSA-N 2 1 282.472 3.364 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423297666 528955946 /nfs/dbraw/zinc/95/59/46/528955946.db2.gz LGVRRLLMLPAICA-NXHRZFHOSA-N 2 1 290.451 3.261 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2ccccc2N(C)C(C)C)CC1 ZINC000437088990 528987413 /nfs/dbraw/zinc/98/74/13/528987413.db2.gz MQDIYBDWVXFYGD-UHFFFAOYSA-N 2 1 289.467 3.105 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414341973 528989226 /nfs/dbraw/zinc/98/92/26/528989226.db2.gz WQROSMZBJRBCFJ-CABCVRRESA-N 2 1 282.472 3.043 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000437762022 529051939 /nfs/dbraw/zinc/05/19/39/529051939.db2.gz JJDYZSFERUPCQK-KRWDZBQOSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459466463 534946384 /nfs/dbraw/zinc/94/63/84/534946384.db2.gz JQAWEVTUFHKJQZ-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000123726756 535065477 /nfs/dbraw/zinc/06/54/77/535065477.db2.gz WTBCOBJSXGNVOH-SWLSCSKDSA-N 2 1 252.377 3.192 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000450753172 535581208 /nfs/dbraw/zinc/58/12/08/535581208.db2.gz HJHAUZYHWMEDIW-FUHWJXTLSA-N 2 1 289.467 3.380 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3ccc(Cl)cc3)C2)C1 ZINC000451072051 536381802 /nfs/dbraw/zinc/38/18/02/536381802.db2.gz UXKPZTGETKLSAV-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3ccc(Cl)cc3)C2)C1 ZINC000451072051 536381806 /nfs/dbraw/zinc/38/18/06/536381806.db2.gz UXKPZTGETKLSAV-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3ccc(Cl)cc3)C2)C1 ZINC000451072051 536381807 /nfs/dbraw/zinc/38/18/07/536381807.db2.gz UXKPZTGETKLSAV-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000733841928 572606593 /nfs/dbraw/zinc/60/65/93/572606593.db2.gz MTGOAECSMMPASE-OVUXIIJLSA-N 2 1 270.848 3.325 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCCO)C1 ZINC000175772573 617739160 /nfs/dbraw/zinc/73/91/60/617739160.db2.gz YWBBWQSXGMDZLV-QZTJIDSGSA-N 2 1 296.499 3.126 20 0 CGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C1CCCC1 ZINC000891682003 618246208 /nfs/dbraw/zinc/24/62/08/618246208.db2.gz DIABZMPOFRMAKG-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2C)C1 ZINC000892121149 618542495 /nfs/dbraw/zinc/54/24/95/618542495.db2.gz PYZFEJXPZZIGTO-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2C)C1 ZINC000892121149 618542500 /nfs/dbraw/zinc/54/25/00/618542500.db2.gz PYZFEJXPZZIGTO-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000121892119 618660808 /nfs/dbraw/zinc/66/08/08/618660808.db2.gz SAZYUAPWCLXWBT-SIXLDLHFSA-N 2 1 276.468 3.275 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CC2 ZINC000926557315 618740461 /nfs/dbraw/zinc/74/04/61/618740461.db2.gz BEEHTEOWNBNBRH-QGZVFWFLSA-N 2 1 272.436 3.446 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000250679222 618744060 /nfs/dbraw/zinc/74/40/60/618744060.db2.gz CTTIOZVFLKXOFR-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1(Cl)CC1 ZINC000926635204 618798636 /nfs/dbraw/zinc/79/86/36/618798636.db2.gz MBGDGFNZJHUKDG-IMJJTQAJSA-N 2 1 292.854 3.081 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309654156 618931821 /nfs/dbraw/zinc/93/18/21/618931821.db2.gz AZPQTGISGAJDFR-NXHRZFHOSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892756388 618932288 /nfs/dbraw/zinc/93/22/88/618932288.db2.gz DACLVMKRAPEHGU-UHFFFAOYSA-N 2 1 283.297 3.058 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C(C)C)C1 ZINC000925587244 619075369 /nfs/dbraw/zinc/07/53/69/619075369.db2.gz HLNRCTSKIJUBDF-FGTMMUONSA-N 2 1 296.499 3.005 20 0 CGADMP Clc1ccc2c(NC[C@H]3CCC[NH2+]3)cc[nH+]c2c1 ZINC000053255030 619077821 /nfs/dbraw/zinc/07/78/21/619077821.db2.gz WSFCUNJFHVUSGJ-LLVKDONJSA-N 2 1 261.756 3.052 20 0 CGADMP C[C@H]([NH3+])[C@H](NCC(C)(C)c1cccnc1)c1ccccc1 ZINC000925691846 619140805 /nfs/dbraw/zinc/14/08/05/619140805.db2.gz NERSFFNKRDIJCG-YOEHRIQHSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257765943 619179510 /nfs/dbraw/zinc/17/95/10/619179510.db2.gz ZQWJEWLRBYTTQY-NWDGAFQWSA-N 2 1 252.789 3.072 20 0 CGADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C1CCC1)C1CCCC1)C2 ZINC000925814842 619261250 /nfs/dbraw/zinc/26/12/50/619261250.db2.gz REYJRTBHKAQVMK-DOTOQJQBSA-N 2 1 273.424 3.146 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC[NH2+]1 ZINC000261565947 619289310 /nfs/dbraw/zinc/28/93/10/619289310.db2.gz GFOJVZXLCBTMON-WOPDTQHZSA-N 2 1 278.362 3.037 20 0 CGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000235121374 619300363 /nfs/dbraw/zinc/30/03/63/619300363.db2.gz JXFSLVLXNRMAJL-KBPBESRZSA-N 2 1 270.486 3.125 20 0 CGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)Cc1ccsc1 ZINC000893720261 619308115 /nfs/dbraw/zinc/30/81/15/619308115.db2.gz YFLPOTPHRZUADO-CQSZACIVSA-N 2 1 280.481 3.343 20 0 CGADMP CSc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000893981876 619344905 /nfs/dbraw/zinc/34/49/05/619344905.db2.gz XLTPEYMNWFATQI-UHFFFAOYSA-N 2 1 277.393 3.104 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCSC(C)(C)C)CC[N@@H+]1C ZINC000878162118 619422286 /nfs/dbraw/zinc/42/22/86/619422286.db2.gz AWDFPZWJTIUSJC-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCSC(C)(C)C)CC[N@H+]1C ZINC000878162118 619422289 /nfs/dbraw/zinc/42/22/89/619422289.db2.gz AWDFPZWJTIUSJC-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCSC(C)(C)C)CC[NH+]1C ZINC000878162118 619422294 /nfs/dbraw/zinc/42/22/94/619422294.db2.gz AWDFPZWJTIUSJC-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCSC(C)(C)C)CC[NH+]1C ZINC000878162118 619422297 /nfs/dbraw/zinc/42/22/97/619422297.db2.gz AWDFPZWJTIUSJC-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1 ZINC000894416851 619528335 /nfs/dbraw/zinc/52/83/35/619528335.db2.gz GNPCALVXOKOAGN-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000894416851 619528339 /nfs/dbraw/zinc/52/83/39/619528339.db2.gz GNPCALVXOKOAGN-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000894416851 619528347 /nfs/dbraw/zinc/52/83/47/619528347.db2.gz GNPCALVXOKOAGN-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000894456811 619543761 /nfs/dbraw/zinc/54/37/61/619543761.db2.gz REVJVYYABYTSCV-NVXWUHKLSA-N 2 1 272.436 3.036 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000894458760 619543934 /nfs/dbraw/zinc/54/39/34/619543934.db2.gz ZKHDAVJETVJDHE-QGZVFWFLSA-N 2 1 289.467 3.100 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000894458760 619543939 /nfs/dbraw/zinc/54/39/39/619543939.db2.gz ZKHDAVJETVJDHE-QGZVFWFLSA-N 2 1 289.467 3.100 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](C/C=C\c2cccc(F)c2)CC1 ZINC000894564787 619576663 /nfs/dbraw/zinc/57/66/63/619576663.db2.gz AADVYXKKHVFAEJ-IMXKFXGHSA-N 2 1 276.399 3.255 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C\c2cccc(F)c2)CC1 ZINC000894564787 619576665 /nfs/dbraw/zinc/57/66/65/619576665.db2.gz AADVYXKKHVFAEJ-IMXKFXGHSA-N 2 1 276.399 3.255 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860008 619656279 /nfs/dbraw/zinc/65/62/79/619656279.db2.gz SIXQJNBGXDPUKO-PXPSOEEZSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860008 619656281 /nfs/dbraw/zinc/65/62/81/619656281.db2.gz SIXQJNBGXDPUKO-PXPSOEEZSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860008 619656282 /nfs/dbraw/zinc/65/62/82/619656282.db2.gz SIXQJNBGXDPUKO-PXPSOEEZSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860008 619656284 /nfs/dbraw/zinc/65/62/84/619656284.db2.gz SIXQJNBGXDPUKO-PXPSOEEZSA-N 2 1 288.410 3.257 20 0 CGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC1CCSCC1 ZINC000895375995 619815737 /nfs/dbraw/zinc/81/57/37/619815737.db2.gz BEIGIYOHRXYGSP-HOCLYGCPSA-N 2 1 284.513 3.182 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000895670402 619869361 /nfs/dbraw/zinc/86/93/61/619869361.db2.gz GLLVBGORRWBYFF-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000895672819 619869677 /nfs/dbraw/zinc/86/96/77/619869677.db2.gz ZOSRNDPDEIPZAX-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)sn1 ZINC000895683233 619872410 /nfs/dbraw/zinc/87/24/10/619872410.db2.gz JVKFSJIQBXYDLW-UHFFFAOYSA-N 2 1 281.469 3.149 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1CCSCC1 ZINC000895683678 619872827 /nfs/dbraw/zinc/87/28/27/619872827.db2.gz RSCVMEGURASXEM-UHFFFAOYSA-N 2 1 284.513 3.328 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000034991698 620214371 /nfs/dbraw/zinc/21/43/71/620214371.db2.gz LNJONSZILSLBDR-UHFFFAOYSA-N 2 1 278.440 3.151 20 0 CGADMP Cc1ccsc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897984751 620462085 /nfs/dbraw/zinc/46/20/85/620462085.db2.gz GBKIQBXWZUUEQI-UHFFFAOYSA-N 2 1 264.438 3.163 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981842 620462297 /nfs/dbraw/zinc/46/22/97/620462297.db2.gz SAZHYXJKJHLPJR-ZDUSSCGKSA-N 2 1 278.465 3.286 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897984695 620462388 /nfs/dbraw/zinc/46/23/88/620462388.db2.gz DLHZISKWXVCONS-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCc2c1nccc2Cl)C[NH+]1CCCC1 ZINC000924713213 620572652 /nfs/dbraw/zinc/57/26/52/620572652.db2.gz CSIFPVUUWNFONF-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]CC4CC4)CC[C@@H]3C2)cc1 ZINC000898522983 620595982 /nfs/dbraw/zinc/59/59/82/620595982.db2.gz WOOOVKFHNKVRPV-QYZOEREBSA-N 2 1 284.447 3.287 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2NCC)CC1 ZINC000902041846 621112911 /nfs/dbraw/zinc/11/29/11/621112911.db2.gz LOUJQDFXDVFCPU-UHFFFAOYSA-N 2 1 275.440 3.082 20 0 CGADMP CCNc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000902281426 621224786 /nfs/dbraw/zinc/22/47/86/621224786.db2.gz XRBKRAVSGXCKCI-ALOPSCKCSA-N 2 1 287.451 3.223 20 0 CGADMP CSc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385373 621300398 /nfs/dbraw/zinc/30/03/98/621300398.db2.gz SOZJVQMQDCRJAC-GFCCVEGCSA-N 2 1 296.455 3.415 20 0 CGADMP CC[C@H](C[NH2+][C@H](CC(C)C)C1CCOCC1)[NH+]1CCCC1 ZINC000902741166 621421886 /nfs/dbraw/zinc/42/18/86/621421886.db2.gz NCOISADQYNPLMW-QZTJIDSGSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902975041 621517126 /nfs/dbraw/zinc/51/71/26/621517126.db2.gz BWVYZAVSQMBODY-NVXWUHKLSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1F ZINC000903060247 621549411 /nfs/dbraw/zinc/54/94/11/621549411.db2.gz UHCIKGKYNKCYBG-ZXFUBFMLSA-N 2 1 288.410 3.382 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CC1(C)C ZINC000903156484 621601631 /nfs/dbraw/zinc/60/16/31/621601631.db2.gz JMHOOCFTZILYAV-NUDNTCICSA-N 2 1 282.497 3.123 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CC2)[C@@H](C)C1 ZINC000903244594 621637069 /nfs/dbraw/zinc/63/70/69/621637069.db2.gz ZEETVIIXWAOTSF-DOTOQJQBSA-N 2 1 296.499 3.149 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000903283767 621651302 /nfs/dbraw/zinc/65/13/02/621651302.db2.gz MYGAWMKKUKOQAY-QPSCCSFWSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903438558 621746928 /nfs/dbraw/zinc/74/69/28/621746928.db2.gz YITUHVARERVHMO-PVAVHDDUSA-N 2 1 260.425 3.171 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+](Cc2ccc(F)cc2)CC2CC2)C1 ZINC000903440407 621748745 /nfs/dbraw/zinc/74/87/45/621748745.db2.gz WWVVOMKJEGCFCJ-DOTOQJQBSA-N 2 1 276.399 3.165 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1c1ccccc1 ZINC000903440203 621749570 /nfs/dbraw/zinc/74/95/70/621749570.db2.gz WGBPHBCVMUBNFU-CIRFHOKZSA-N 2 1 272.436 3.239 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000903455994 621762516 /nfs/dbraw/zinc/76/25/16/621762516.db2.gz AZVUYFBEBBONDM-MBNYWOFBSA-N 2 1 293.480 3.142 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903490849 621766779 /nfs/dbraw/zinc/76/67/79/621766779.db2.gz KGNYFRYFIPNZCR-MSOLQXFVSA-N 2 1 272.436 3.169 20 0 CGADMP CC[N@@H+](CCc1cccs1)C[C@H]1CCCC[NH2+]C1 ZINC000903722707 621795911 /nfs/dbraw/zinc/79/59/11/621795911.db2.gz NTOVLDYBXMDIRB-AWEZNQCLSA-N 2 1 266.454 3.002 20 0 CGADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903770059 621803673 /nfs/dbraw/zinc/80/36/73/621803673.db2.gz RXFCBKKXQVPZSX-RDGKXADDSA-N 2 1 284.394 3.028 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1cccc(F)c1F ZINC000903757066 621803983 /nfs/dbraw/zinc/80/39/83/621803983.db2.gz BFGRZHZZLRGZDQ-NEPJUHHUSA-N 2 1 268.351 3.005 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCSc1cccc(Cl)c1)C2 ZINC000903842875 621820035 /nfs/dbraw/zinc/82/00/35/621820035.db2.gz WWYMPXLAWGMIKL-YUTCNCBUSA-N 2 1 296.867 3.244 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903891499 621823795 /nfs/dbraw/zinc/82/37/95/621823795.db2.gz BDIAKWDPQZPQOI-GKIHWSDISA-N 2 1 262.441 3.170 20 0 CGADMP c1csc([C@@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903875812 621825307 /nfs/dbraw/zinc/82/53/07/621825307.db2.gz CIYMBXASNVFUAO-DKUMPPAJSA-N 2 1 276.449 3.416 20 0 CGADMP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000903884898 621826751 /nfs/dbraw/zinc/82/67/51/621826751.db2.gz HVGVXMYUDMQQRW-DGCLKSJQSA-N 2 1 286.366 3.061 20 0 CGADMP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000903884898 621826753 /nfs/dbraw/zinc/82/67/53/621826753.db2.gz HVGVXMYUDMQQRW-DGCLKSJQSA-N 2 1 286.366 3.061 20 0 CGADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894873 621828577 /nfs/dbraw/zinc/82/85/77/621828577.db2.gz GXYFTKPBQFUYKZ-BLNMRFBMSA-N 2 1 250.430 3.028 20 0 CGADMP c1ccc(N[C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903899119 621829787 /nfs/dbraw/zinc/82/97/87/621829787.db2.gz RXOUUPRWDWLNNG-ZCTYVAAUSA-N 2 1 299.462 3.094 20 0 CGADMP C/C=C/C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903935519 621835389 /nfs/dbraw/zinc/83/53/89/621835389.db2.gz QYANORXQZLJNLR-KQHVDNLDSA-N 2 1 262.441 3.195 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)CC(F)F ZINC000903935437 621835554 /nfs/dbraw/zinc/83/55/54/621835554.db2.gz PKRIWDYVJVKHBK-YPMHNXCESA-N 2 1 288.769 3.290 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCC2 ZINC000903917267 621836332 /nfs/dbraw/zinc/83/63/32/621836332.db2.gz YAKSFPRMLNZRDP-WZYMTQMTSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000903959454 621837086 /nfs/dbraw/zinc/83/70/86/621837086.db2.gz IHMPGMDRSLNDFV-HNNXBMFYSA-N 2 1 264.438 3.022 20 0 CGADMP CCC1([NH3+])CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000903946387 621839808 /nfs/dbraw/zinc/83/98/08/621839808.db2.gz QAICHKNBHFDCPQ-ONEGZZNKSA-N 2 1 262.372 3.042 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000903947267 621840288 /nfs/dbraw/zinc/84/02/88/621840288.db2.gz PKELQCFFQOSZLE-UHFFFAOYSA-N 2 1 276.424 3.177 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974283 621844175 /nfs/dbraw/zinc/84/41/75/621844175.db2.gz SVUDBOXJDLAGQN-ZACQAIPSSA-N 2 1 294.483 3.094 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000904308397 621903026 /nfs/dbraw/zinc/90/30/26/621903026.db2.gz PJSMOJHKWPPXDB-ZOWXZIJZSA-N 2 1 264.800 3.214 20 0 CGADMP CC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000904336326 621908626 /nfs/dbraw/zinc/90/86/26/621908626.db2.gz NUWDMPXECNARKW-PBHICJAKSA-N 2 1 276.424 3.165 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904340958 621909234 /nfs/dbraw/zinc/90/92/34/621909234.db2.gz GPRYCHBFERFOAO-MSOLQXFVSA-N 2 1 272.436 3.174 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904341575 621909277 /nfs/dbraw/zinc/90/92/77/621909277.db2.gz PQMLJXWKTFIZHO-RANZSIQMSA-N 2 1 272.436 3.300 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411175 621918902 /nfs/dbraw/zinc/91/89/02/621918902.db2.gz JHOZXZBODRLUOG-HOCLYGCPSA-N 2 1 298.430 3.265 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@@H](C)C1 ZINC000906525345 622243637 /nfs/dbraw/zinc/24/36/37/622243637.db2.gz LWGWKISGZJFDIG-YOEHRIQHSA-N 2 1 299.418 3.162 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000229574329 623145261 /nfs/dbraw/zinc/14/52/61/623145261.db2.gz IVWDLOQFSQSIPH-ZBFHGGJFSA-N 2 1 278.415 3.077 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637821 623491203 /nfs/dbraw/zinc/49/12/03/623491203.db2.gz QBZCUZQXJHRVRU-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CS[C@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000921774307 625872132 /nfs/dbraw/zinc/87/21/32/625872132.db2.gz DHIIDSNBHKYLDT-CABCVRRESA-N 2 1 281.469 3.236 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCC=CCC2)CC1(C)C ZINC000922966457 626109247 /nfs/dbraw/zinc/10/92/47/626109247.db2.gz UIMZNLBABXCZKU-OAHLLOKOSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289616 626143516 /nfs/dbraw/zinc/14/35/16/626143516.db2.gz RAPFLZTYFWKDIG-ZFWWWQNUSA-N 2 1 250.430 3.016 20 0 CGADMP C(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923316027 626144578 /nfs/dbraw/zinc/14/45/78/626144578.db2.gz DAJIOQKZDAWNLC-LDBYLJPUSA-N 2 1 294.508 3.267 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000923482686 626156955 /nfs/dbraw/zinc/15/69/55/626156955.db2.gz IAYHZMKIPZEDJS-ZDUSSCGKSA-N 2 1 293.480 3.362 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495384 626157601 /nfs/dbraw/zinc/15/76/01/626157601.db2.gz BNRBTSWKRYXKNG-NQBHXWOUSA-N 2 1 284.806 3.457 20 0 CGADMP Cc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)sc1C(C)(C)C ZINC000923490080 626157803 /nfs/dbraw/zinc/15/78/03/626157803.db2.gz AWBKPSYUOLIEJX-DGCLKSJQSA-N 2 1 295.496 3.166 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923490389 626157820 /nfs/dbraw/zinc/15/78/20/626157820.db2.gz NGCRJPDWOUOYSU-OIISXLGYSA-N 2 1 272.436 3.023 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923524931 626161018 /nfs/dbraw/zinc/16/10/18/626161018.db2.gz AXLMZYQZVFADFZ-WBVHZDCISA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)o1 ZINC000121335475 626217201 /nfs/dbraw/zinc/21/72/01/626217201.db2.gz DDWNQIJKNFLRDP-UHFFFAOYSA-N 2 1 276.424 3.393 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000755047639 626597887 /nfs/dbraw/zinc/59/78/87/626597887.db2.gz HXRRIKPDVGWQDU-MRXNPFEDSA-N 2 1 263.429 3.100 20 0 CGADMP C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000757877172 626812125 /nfs/dbraw/zinc/81/21/25/626812125.db2.gz WWMJSNFSUQNTAG-HNNXBMFYSA-N 2 1 283.419 3.336 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccccc1)C1CC1 ZINC000762919107 627132205 /nfs/dbraw/zinc/13/22/05/627132205.db2.gz SDVUBFVTXWUZKM-UHFFFAOYSA-N 2 1 283.419 3.289 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000762919107 627132209 /nfs/dbraw/zinc/13/22/09/627132209.db2.gz SDVUBFVTXWUZKM-UHFFFAOYSA-N 2 1 283.419 3.289 20 0 CGADMP COc1ccc2c(NC[C@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000765469763 627251762 /nfs/dbraw/zinc/25/17/62/627251762.db2.gz VBOGWXHCXZXATG-CYBMUJFWSA-N 2 1 297.402 3.140 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000772949927 627833940 /nfs/dbraw/zinc/83/39/40/627833940.db2.gz ZNAIFEDDMMUADX-LBPRGKRZSA-N 2 1 281.831 3.258 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000775446876 628095468 /nfs/dbraw/zinc/09/54/68/628095468.db2.gz UVFYBOAWTVXGFZ-KRWDZBQOSA-N 2 1 286.423 3.354 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000776005562 628157354 /nfs/dbraw/zinc/15/73/54/628157354.db2.gz AETRZBLUOAHUCW-WMLDXEAASA-N 2 1 286.423 3.210 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(CF)cc3)CC[C@@H]21 ZINC000777599938 628287284 /nfs/dbraw/zinc/28/72/84/628287284.db2.gz MOLZQYNEXKERHK-SJORKVTESA-N 2 1 276.399 3.072 20 0 CGADMP CCC(CC)(C[NH2+][C@@H](C)CCO)[NH2+][C@H](C)c1ccccc1 ZINC000779349060 628409558 /nfs/dbraw/zinc/40/95/58/628409558.db2.gz VEZZDQMSMPRQBO-JKSUJKDBSA-N 2 1 292.467 3.257 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782183358 628621125 /nfs/dbraw/zinc/62/11/25/628621125.db2.gz YZNLZTUZPDQHGJ-LRDDRELGSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782183358 628621129 /nfs/dbraw/zinc/62/11/29/628621129.db2.gz YZNLZTUZPDQHGJ-LRDDRELGSA-N 2 1 278.827 3.211 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1F ZINC000783224426 628690057 /nfs/dbraw/zinc/69/00/57/628690057.db2.gz NVFDEIQVKOCVDB-XHDPSFHLSA-N 2 1 273.355 3.208 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334705 629661439 /nfs/dbraw/zinc/66/14/39/629661439.db2.gz DTXFXKRKFRMHJZ-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334705 629661444 /nfs/dbraw/zinc/66/14/44/629661444.db2.gz DTXFXKRKFRMHJZ-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334705 629661449 /nfs/dbraw/zinc/66/14/49/629661449.db2.gz DTXFXKRKFRMHJZ-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334705 629661454 /nfs/dbraw/zinc/66/14/54/629661454.db2.gz DTXFXKRKFRMHJZ-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)SC ZINC000796784475 629833504 /nfs/dbraw/zinc/83/35/04/629833504.db2.gz VTLUNSGPJLILDJ-RRFJBIMHSA-N 2 1 284.513 3.371 20 0 CGADMP Cc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc(Cl)n1 ZINC000797603339 629969157 /nfs/dbraw/zinc/96/91/57/629969157.db2.gz HBBXTZVXNOBKOB-UHFFFAOYSA-N 2 1 295.858 3.255 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865397839 630101067 /nfs/dbraw/zinc/10/10/67/630101067.db2.gz MTCVUXCPJAMQOW-UHFFFAOYSA-N 2 1 289.398 3.051 20 0 CGADMP CCc1cnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000798957326 630128059 /nfs/dbraw/zinc/12/80/59/630128059.db2.gz UCSPJTIMLBLOLT-UHFFFAOYSA-N 2 1 293.480 3.013 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(CF)cc3)C2)CC1 ZINC000799178393 630153111 /nfs/dbraw/zinc/15/31/11/630153111.db2.gz PHULEMDPWBPGDY-UHFFFAOYSA-N 2 1 290.426 3.464 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccncc3Cl)C2)CC1 ZINC000799178422 630153361 /nfs/dbraw/zinc/15/33/61/630153361.db2.gz RSRPYKHXGCQDEZ-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cn1 ZINC000800968903 630314376 /nfs/dbraw/zinc/31/43/76/630314376.db2.gz XSIYZRVRHQDPJX-IAGOWNOFSA-N 2 1 296.418 3.244 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806126833 630545445 /nfs/dbraw/zinc/54/54/45/630545445.db2.gz RVVGZEJZUNYPOK-ZDUSSCGKSA-N 2 1 281.831 3.044 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000815556242 631793771 /nfs/dbraw/zinc/79/37/71/631793771.db2.gz QZZBWGDZHFDUAT-ZDUSSCGKSA-N 2 1 276.399 3.412 20 0 CGADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C(C1CCCC1)C1CCCC1 ZINC000817893835 632230784 /nfs/dbraw/zinc/23/07/84/632230784.db2.gz ITAFEDGXTNBOQF-PBHICJAKSA-N 2 1 294.483 3.092 20 0 CGADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817904914 632233133 /nfs/dbraw/zinc/23/31/33/632233133.db2.gz HIRLRBSGZXZYIT-XEKGUZQTSA-N 2 1 296.414 3.233 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000817958713 632253688 /nfs/dbraw/zinc/25/36/88/632253688.db2.gz LVEAOXNAKKISNB-OCCSQVGLSA-N 2 1 272.502 3.404 20 0 CGADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1SC(C)(C)C ZINC000817965800 632259910 /nfs/dbraw/zinc/25/99/10/632259910.db2.gz VRFZBVYBHWLXMJ-GFCCVEGCSA-N 2 1 278.465 3.447 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817965530 632260027 /nfs/dbraw/zinc/26/00/27/632260027.db2.gz WUEGYUTZJAKXAW-MRVPVSSYSA-N 2 1 288.222 3.108 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000817981495 632271442 /nfs/dbraw/zinc/27/14/42/632271442.db2.gz LBVYPURZPJNAFX-GUYCJALGSA-N 2 1 276.424 3.253 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCO2 ZINC000817982519 632273011 /nfs/dbraw/zinc/27/30/11/632273011.db2.gz UQAMZNCKLGHQBF-SJORKVTESA-N 2 1 288.435 3.180 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1CCCO)C1CCCCC1 ZINC000820808347 632680110 /nfs/dbraw/zinc/68/01/10/632680110.db2.gz DLATZRUZNHJNGN-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1CCCO)C1CCCCC1 ZINC000820808347 632680114 /nfs/dbraw/zinc/68/01/14/632680114.db2.gz DLATZRUZNHJNGN-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP C[NH+](C)C1(C)CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000866146828 633011904 /nfs/dbraw/zinc/01/19/04/633011904.db2.gz GLTODTVCZUJUQW-UHFFFAOYSA-N 2 1 298.434 3.492 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccn1 ZINC000866237438 633039515 /nfs/dbraw/zinc/03/95/15/633039515.db2.gz COTPDMBVUJUROJ-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000866239233 633040888 /nfs/dbraw/zinc/04/08/88/633040888.db2.gz RVYWQRCINYPDLC-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CCC(OC(C)(C)C)CC2)CC1 ZINC000866451328 633140925 /nfs/dbraw/zinc/14/09/25/633140925.db2.gz IDXVIMVYQGWTSA-UHFFFAOYSA-N 2 1 282.472 3.187 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000866585660 633203244 /nfs/dbraw/zinc/20/32/44/633203244.db2.gz ZSUXUYWFWMYIKO-BHYGNILZSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866585660 633203246 /nfs/dbraw/zinc/20/32/46/633203246.db2.gz ZSUXUYWFWMYIKO-BHYGNILZSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866585660 633203252 /nfs/dbraw/zinc/20/32/52/633203252.db2.gz ZSUXUYWFWMYIKO-BHYGNILZSA-N 2 1 258.409 3.082 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705352 633234899 /nfs/dbraw/zinc/23/48/99/633234899.db2.gz YLKHUIPRBUGUMQ-WMLDXEAASA-N 2 1 260.425 3.445 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872027344 633947104 /nfs/dbraw/zinc/94/71/04/633947104.db2.gz KXDWCUFOUFNVHW-YYIAUSFCSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872027344 633947108 /nfs/dbraw/zinc/94/71/08/633947108.db2.gz KXDWCUFOUFNVHW-YYIAUSFCSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000872035365 633953827 /nfs/dbraw/zinc/95/38/27/633953827.db2.gz MFHULHLRHFLCRD-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])[C@H]2CCCC[C@H]12 ZINC000846217786 636161255 /nfs/dbraw/zinc/16/12/55/636161255.db2.gz BMSZSNIQQLBXRW-OAGGEKHMSA-N 2 1 252.446 3.406 20 0 CGADMP CC[NH2+]CC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000872141295 634064209 /nfs/dbraw/zinc/06/42/09/634064209.db2.gz CLZPBLHYAYHSEG-UHFFFAOYSA-N 2 1 290.329 3.120 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156417 634068194 /nfs/dbraw/zinc/06/81/94/634068194.db2.gz JFBMDKHGBPCXJI-WMZOPIPTSA-N 3 1 295.515 3.125 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834895140 634271846 /nfs/dbraw/zinc/27/18/46/634271846.db2.gz ZWFIEVGQVBAQEH-OHRKKDJYSA-N 2 1 276.399 3.410 20 0 CGADMP c1c(C[N@H+]2CC[C@@H](c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873203422 634284665 /nfs/dbraw/zinc/28/46/65/634284665.db2.gz ZGVLTPZWFIALFS-OAHLLOKOSA-N 2 1 298.455 3.383 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@@H+]2Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873201298 634284957 /nfs/dbraw/zinc/28/49/57/634284957.db2.gz QNQHDIHHFZGUHI-OAHLLOKOSA-N 2 1 287.432 3.059 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1)C1CCCC1 ZINC000873232480 634293714 /nfs/dbraw/zinc/29/37/14/634293714.db2.gz RDFYHBPJJAJMHL-LZLYRXPVSA-N 2 1 294.483 3.033 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(-c2ccccc2)n[nH]1 ZINC000873231587 634293887 /nfs/dbraw/zinc/29/38/87/634293887.db2.gz QFUCLISUSFYMIF-UHFFFAOYSA-N 2 1 286.423 3.028 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc2cnccc21 ZINC000873231583 634294155 /nfs/dbraw/zinc/29/41/55/634294155.db2.gz POOVXOFPEFAAHQ-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc(C2CCC2)s1 ZINC000873231905 634294218 /nfs/dbraw/zinc/29/42/18/634294218.db2.gz YLMYQQMITQFURX-UHFFFAOYSA-N 2 1 281.469 3.362 20 0 CGADMP CC1(C)CC[C@H](C[NH2+]C2CCC(C(F)F)CC2)[NH2+]C1 ZINC000873236676 634297009 /nfs/dbraw/zinc/29/70/09/634297009.db2.gz IDKUQTXXBUGBEC-WXRRBKDZSA-N 2 1 274.399 3.178 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1c[nH+]ccc1N ZINC000873253195 634302274 /nfs/dbraw/zinc/30/22/74/634302274.db2.gz UWCPTAMSMFSLBZ-GMXVVIOVSA-N 2 1 299.340 3.289 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000876936536 634932441 /nfs/dbraw/zinc/93/24/41/634932441.db2.gz KYTOEXRLVCXLPV-FRRDWIJNSA-N 2 1 293.282 3.138 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)ccc2n1 ZINC000877738501 635172602 /nfs/dbraw/zinc/17/26/02/635172602.db2.gz BXZGAEUOAFESJI-PKOBYXMFSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)ccc2n1 ZINC000877738501 635172605 /nfs/dbraw/zinc/17/26/05/635172605.db2.gz BXZGAEUOAFESJI-PKOBYXMFSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)ccc2n1 ZINC000877738501 635172607 /nfs/dbraw/zinc/17/26/07/635172607.db2.gz BXZGAEUOAFESJI-PKOBYXMFSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)ccc2n1 ZINC000877738501 635172608 /nfs/dbraw/zinc/17/26/08/635172608.db2.gz BXZGAEUOAFESJI-PKOBYXMFSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1oc2ccccc2c1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739461 635174935 /nfs/dbraw/zinc/17/49/35/635174935.db2.gz GHAHFGZYLJYRQV-YOEHRIQHSA-N 2 1 284.403 3.267 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739461 635174936 /nfs/dbraw/zinc/17/49/36/635174936.db2.gz GHAHFGZYLJYRQV-YOEHRIQHSA-N 2 1 284.403 3.267 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739461 635174938 /nfs/dbraw/zinc/17/49/38/635174938.db2.gz GHAHFGZYLJYRQV-YOEHRIQHSA-N 2 1 284.403 3.267 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@H](c2ccccc2)CO1 ZINC000842472716 635377270 /nfs/dbraw/zinc/37/72/70/635377270.db2.gz JGFDXYSVYHZVLH-AEFFLSMTSA-N 2 1 290.451 3.358 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCSC(C)(C)C)CC[N@@H+]1C ZINC000878162116 635388282 /nfs/dbraw/zinc/38/82/82/635388282.db2.gz AWDFPZWJTIUSJC-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCSC(C)(C)C)CC[N@H+]1C ZINC000878162116 635388288 /nfs/dbraw/zinc/38/82/88/635388288.db2.gz AWDFPZWJTIUSJC-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCSC(C)(C)C)CC[NH+]1C ZINC000878162116 635388292 /nfs/dbraw/zinc/38/82/92/635388292.db2.gz AWDFPZWJTIUSJC-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCSC(C)(C)C)CC[NH+]1C ZINC000878162116 635388299 /nfs/dbraw/zinc/38/82/99/635388299.db2.gz AWDFPZWJTIUSJC-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC[C@H]3CCCC3(F)F)CC[C@@H]21 ZINC000878197296 635409281 /nfs/dbraw/zinc/40/92/81/635409281.db2.gz NDADHTRYRLKXNP-KFWWJZLASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)CC[C@@H]21 ZINC000878197296 635409287 /nfs/dbraw/zinc/40/92/87/635409287.db2.gz NDADHTRYRLKXNP-KFWWJZLASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)CC[C@@H]21 ZINC000878197296 635409292 /nfs/dbraw/zinc/40/92/92/635409292.db2.gz NDADHTRYRLKXNP-KFWWJZLASA-N 2 1 286.410 3.228 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CC(C)(C)OC1(C)C)CC2 ZINC000878340298 635466774 /nfs/dbraw/zinc/46/67/74/635466774.db2.gz UTXLPUVBGAJYAT-HNNXBMFYSA-N 2 1 294.483 3.140 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CC(C)(C)OC1(C)C)CC2 ZINC000878340298 635466780 /nfs/dbraw/zinc/46/67/80/635466780.db2.gz UTXLPUVBGAJYAT-HNNXBMFYSA-N 2 1 294.483 3.140 20 0 CGADMP COc1cccc2cc(C[N@@H+](C)C3CCC([NH3+])CC3)oc21 ZINC000843054741 635551167 /nfs/dbraw/zinc/55/11/67/635551167.db2.gz DZOVFSAZPPUSBF-UHFFFAOYSA-N 2 1 288.391 3.143 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C2CC2)c1 ZINC000843053879 635551686 /nfs/dbraw/zinc/55/16/86/635551686.db2.gz VWFJJPYTAHTDHU-AYHJJNSGSA-N 2 1 270.420 3.408 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000843056944 635553284 /nfs/dbraw/zinc/55/32/84/635553284.db2.gz CVXJYNXBZTZTFU-ZYHUDNBSSA-N 2 1 286.391 3.170 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000843120110 635559835 /nfs/dbraw/zinc/55/98/35/635559835.db2.gz XOJCMMDOTAJNOY-UPHRSURJSA-N 2 1 292.373 3.054 20 0 CGADMP COc1cccc2cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])oc21 ZINC000843124387 635560281 /nfs/dbraw/zinc/56/02/81/635560281.db2.gz ZXFWHXITEOLHSQ-CQSZACIVSA-N 2 1 288.391 3.145 20 0 CGADMP Cc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)cnc1Cl ZINC000843123490 635561181 /nfs/dbraw/zinc/56/11/81/635561181.db2.gz KRPWXECYQZHEGZ-UHFFFAOYSA-N 2 1 295.858 3.384 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880258790 635959930 /nfs/dbraw/zinc/95/99/30/635959930.db2.gz JLXOLGNAZLJGLG-KGLIPLIRSA-N 2 1 295.377 3.028 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@H](C)c1cccnc1Cl ZINC000846177702 636153772 /nfs/dbraw/zinc/15/37/72/636153772.db2.gz QEKHAAPTUDDSNV-CYBMUJFWSA-N 2 1 283.847 3.364 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)c1ccc(Cl)nc1 ZINC000846176316 636153969 /nfs/dbraw/zinc/15/39/69/636153969.db2.gz DNCHBGDCGBDMCY-ZDUSSCGKSA-N 2 1 283.847 3.364 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000846176316 636153974 /nfs/dbraw/zinc/15/39/74/636153974.db2.gz DNCHBGDCGBDMCY-ZDUSSCGKSA-N 2 1 283.847 3.364 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000846176316 636153979 /nfs/dbraw/zinc/15/39/79/636153979.db2.gz DNCHBGDCGBDMCY-ZDUSSCGKSA-N 2 1 283.847 3.364 20 0 CGADMP CC1(C)C[N@@H+](CCCCCC[NH3+])CC[C@@H]1C(F)(F)F ZINC000846223777 636163477 /nfs/dbraw/zinc/16/34/77/636163477.db2.gz OASXRASQKOJRKG-LBPRGKRZSA-N 2 1 280.378 3.416 20 0 CGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1OC ZINC000846843016 636257781 /nfs/dbraw/zinc/25/77/81/636257781.db2.gz LLVMONMNEVQMOR-INIZCTEOSA-N 2 1 287.407 3.102 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC000848529576 636591504 /nfs/dbraw/zinc/59/15/04/636591504.db2.gz XEQUDGNPWMAJFR-OAHLLOKOSA-N 2 1 260.425 3.241 20 0 CGADMP CCCCCCNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000849065222 636735860 /nfs/dbraw/zinc/73/58/60/636735860.db2.gz DDRRAJHHBQSBEI-OAHLLOKOSA-N 2 1 296.503 3.191 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)[C@H]1CC[NH3+] ZINC000883434853 636754531 /nfs/dbraw/zinc/75/45/31/636754531.db2.gz CKNUIOBHYSDEQI-RDBSUJKOSA-N 2 1 274.399 3.261 20 0 CGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3C=CCC3)CC2)cc1 ZINC000850359537 637028321 /nfs/dbraw/zinc/02/83/21/637028321.db2.gz KGLABYBPOIXBTP-QGZVFWFLSA-N 2 1 288.410 3.141 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000850381617 637040717 /nfs/dbraw/zinc/04/07/17/637040717.db2.gz HUQZCKUGSORTPI-LZLYRXPVSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000850381617 637040723 /nfs/dbraw/zinc/04/07/23/637040723.db2.gz HUQZCKUGSORTPI-LZLYRXPVSA-N 2 1 294.483 3.188 20 0 CGADMP C1CC1[C@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850539061 637113802 /nfs/dbraw/zinc/11/38/02/637113802.db2.gz QCQIFBICEPTXDY-UAGQMJEPSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1[C@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850539061 637113807 /nfs/dbraw/zinc/11/38/07/637113807.db2.gz QCQIFBICEPTXDY-UAGQMJEPSA-N 2 1 262.441 3.172 20 0 CGADMP Fc1cccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000885924446 637314603 /nfs/dbraw/zinc/31/46/03/637314603.db2.gz QQRXYYKEDFQLAZ-WCGUUESXSA-N 2 1 274.383 3.055 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885954167 637328769 /nfs/dbraw/zinc/32/87/69/637328769.db2.gz PQDQYPXHSRXYPY-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885954169 637328834 /nfs/dbraw/zinc/32/88/34/637328834.db2.gz PQDQYPXHSRXYPY-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C\c1cccc(F)c1 ZINC000885968835 637336359 /nfs/dbraw/zinc/33/63/59/637336359.db2.gz AZRQKMAAQNAEHQ-SDQPKGBYSA-N 2 1 287.382 3.270 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC(F)(F)F)C[C@@H]1C ZINC000886032679 637375052 /nfs/dbraw/zinc/37/50/52/637375052.db2.gz LLMWPZMHOIMHFP-QWRGUYRKSA-N 2 1 284.391 3.044 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC(F)(F)F)C[C@@H]1C ZINC000886032679 637375061 /nfs/dbraw/zinc/37/50/61/637375061.db2.gz LLMWPZMHOIMHFP-QWRGUYRKSA-N 2 1 284.391 3.044 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC(F)(F)F)C[C@@H]1C ZINC000886032679 637375070 /nfs/dbraw/zinc/37/50/70/637375070.db2.gz LLMWPZMHOIMHFP-QWRGUYRKSA-N 2 1 284.391 3.044 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCOC2CCCCC2)CC1 ZINC000886033341 637376716 /nfs/dbraw/zinc/37/67/16/637376716.db2.gz SYBAWYBVHBTPMC-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000886040726 637380089 /nfs/dbraw/zinc/38/00/89/637380089.db2.gz BTAYPKHDXPNBPU-RCCFBDPRSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CC3CC=CC3)CC2)[nH+]c1C ZINC000886659422 637637773 /nfs/dbraw/zinc/63/77/73/637637773.db2.gz MAWZUCSSECVAQR-UHFFFAOYSA-N 2 1 259.397 3.172 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000886860013 637715130 /nfs/dbraw/zinc/71/51/30/637715130.db2.gz NOMHIJMFQNMVMD-CQSZACIVSA-N 2 1 294.389 3.144 20 0 CGADMP Cc1csc(C[C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n1 ZINC000886858012 637715665 /nfs/dbraw/zinc/71/56/65/637715665.db2.gz JMXQBJKXNFBLNS-HNNXBMFYSA-N 2 1 295.496 3.225 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)[NH+]1CCCC1 ZINC000221975114 637770700 /nfs/dbraw/zinc/77/07/00/637770700.db2.gz RVHQNKCHCRIZKS-YJBOKZPZSA-N 2 1 292.442 3.467 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000222947517 637834545 /nfs/dbraw/zinc/83/45/45/637834545.db2.gz RQDAHPARIHOGDC-HLLBOEOZSA-N 2 1 270.376 3.229 20 0 CGADMP CSCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300418762 637838107 /nfs/dbraw/zinc/83/81/07/637838107.db2.gz BPMBKGRAWKQOST-CABCVRRESA-N 2 1 270.486 3.126 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000854224493 638026063 /nfs/dbraw/zinc/02/60/63/638026063.db2.gz YBEJVVXCOXWPFO-LBPRGKRZSA-N 2 1 250.361 3.056 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)[NH+](C)C ZINC000924631785 638380141 /nfs/dbraw/zinc/38/01/41/638380141.db2.gz JASWWHWBVPUEIR-SQNIBIBYSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750985 638399827 /nfs/dbraw/zinc/39/98/27/638399827.db2.gz HYDLFBCVQPHALJ-IKGGRYGDSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750985 638399835 /nfs/dbraw/zinc/39/98/35/638399835.db2.gz HYDLFBCVQPHALJ-IKGGRYGDSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CO[C@@H](C)[C@H]2C)c1 ZINC000924827174 638410400 /nfs/dbraw/zinc/41/04/00/638410400.db2.gz AJMRJUCUNVYPCL-VKJFTORMSA-N 2 1 290.451 3.040 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000925137674 638459149 /nfs/dbraw/zinc/45/91/49/638459149.db2.gz ACSUVFDUYIPRTR-VNQPRFMTSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000925137674 638459155 /nfs/dbraw/zinc/45/91/55/638459155.db2.gz ACSUVFDUYIPRTR-VNQPRFMTSA-N 2 1 258.409 3.055 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000925224292 638478813 /nfs/dbraw/zinc/47/88/13/638478813.db2.gz ZFIYWTPHADIDGB-ZOWXZIJZSA-N 2 1 293.842 3.185 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1 ZINC000925513926 638515463 /nfs/dbraw/zinc/51/54/63/638515463.db2.gz ISKYRJRPKAHYSV-PXAZEXFGSA-N 2 1 258.409 3.101 20 0 CGADMP C[C@@H](N)[C@@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000925576721 638536069 /nfs/dbraw/zinc/53/60/69/638536069.db2.gz YILHVPFYEMDAGS-VVWQDTPRSA-N 2 1 298.430 3.177 20 0 CGADMP CCOCCC1(C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000925582451 638537320 /nfs/dbraw/zinc/53/73/20/638537320.db2.gz FHQFJFWJHCWBBX-DOTOQJQBSA-N 2 1 290.451 3.261 20 0 CGADMP FC(F)(F)C1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCCC1 ZINC000925718840 638579038 /nfs/dbraw/zinc/57/90/38/638579038.db2.gz NMMLPOLXDRMNLK-LBPRGKRZSA-N 2 1 290.373 3.373 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1 ZINC000925734995 638587973 /nfs/dbraw/zinc/58/79/73/638587973.db2.gz WVSCDUSCAJVDPT-AAEUAGOBSA-N 2 1 268.351 3.100 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000925757761 638599433 /nfs/dbraw/zinc/59/94/33/638599433.db2.gz JIMLICHULBXRTC-ZDUSSCGKSA-N 2 1 278.444 3.037 20 0 CGADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846071 638631582 /nfs/dbraw/zinc/63/15/82/638631582.db2.gz OAHMOCVPDKXLPH-ZMSDIMECSA-N 2 1 292.373 3.074 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925872042 638637327 /nfs/dbraw/zinc/63/73/27/638637327.db2.gz NSPNLOJIWSZJMF-KZNAEPCWSA-N 2 1 299.462 3.217 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872669 638639015 /nfs/dbraw/zinc/63/90/15/638639015.db2.gz WZABUQMEEBXHJH-BHYGNILZSA-N 2 1 287.451 3.359 20 0 CGADMP CC[N@H+](CCC[NH2+]Cc1ccnc(F)c1)C1CCCCC1 ZINC000858184808 638652523 /nfs/dbraw/zinc/65/25/23/638652523.db2.gz PBVPUMYCXADTDB-UHFFFAOYSA-N 2 1 293.430 3.355 20 0 CGADMP CC[N@@H+](CCC[NH2+]Cc1ccnc(F)c1)C1CCCCC1 ZINC000858184808 638652532 /nfs/dbraw/zinc/65/25/32/638652532.db2.gz PBVPUMYCXADTDB-UHFFFAOYSA-N 2 1 293.430 3.355 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccnc(Cl)c1 ZINC000858490957 638740972 /nfs/dbraw/zinc/74/09/72/638740972.db2.gz TZTGLLVZRFOYDX-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccnc(Cl)c1 ZINC000858490957 638740977 /nfs/dbraw/zinc/74/09/77/638740977.db2.gz TZTGLLVZRFOYDX-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000858491582 638741190 /nfs/dbraw/zinc/74/11/90/638741190.db2.gz KWEKQXYQTUHDOR-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000858491582 638741191 /nfs/dbraw/zinc/74/11/91/638741191.db2.gz KWEKQXYQTUHDOR-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926635542 638792964 /nfs/dbraw/zinc/79/29/64/638792964.db2.gz OMUZDIVFHNCEER-AHCXZYCDSA-N 2 1 286.463 3.356 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C1CCCCC1 ZINC000926652456 638795154 /nfs/dbraw/zinc/79/51/54/638795154.db2.gz SYCHNBRMBCXGSM-VQFNDLOPSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929722811 638945451 /nfs/dbraw/zinc/94/54/51/638945451.db2.gz QDOZPXKZXSIOOL-APIJFGDWSA-N 2 1 286.410 3.084 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929722811 638945452 /nfs/dbraw/zinc/94/54/52/638945452.db2.gz QDOZPXKZXSIOOL-APIJFGDWSA-N 2 1 286.410 3.084 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929722811 638945453 /nfs/dbraw/zinc/94/54/53/638945453.db2.gz QDOZPXKZXSIOOL-APIJFGDWSA-N 2 1 286.410 3.084 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC000929780789 638950143 /nfs/dbraw/zinc/95/01/43/638950143.db2.gz HHDRFWLWQNLUQV-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC000929780789 638950146 /nfs/dbraw/zinc/95/01/46/638950146.db2.gz HHDRFWLWQNLUQV-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC000929780789 638950147 /nfs/dbraw/zinc/95/01/47/638950147.db2.gz HHDRFWLWQNLUQV-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC000929780789 638950150 /nfs/dbraw/zinc/95/01/50/638950150.db2.gz HHDRFWLWQNLUQV-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP CCCC[N@@H+](C[C@@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033437 639101440 /nfs/dbraw/zinc/10/14/40/639101440.db2.gz RXALSBADNHSAEI-HNNXBMFYSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCC(C)(F)F ZINC000931068832 639106882 /nfs/dbraw/zinc/10/68/82/639106882.db2.gz PRSGRHJHSVRUNI-UHFFFAOYSA-N 2 1 250.377 3.132 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCC(C)(F)F ZINC000931068832 639106889 /nfs/dbraw/zinc/10/68/89/639106889.db2.gz PRSGRHJHSVRUNI-UHFFFAOYSA-N 2 1 250.377 3.132 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCSC3CCCCC3)C[C@]2(C)C1 ZINC000931313478 639133352 /nfs/dbraw/zinc/13/33/52/639133352.db2.gz BUTGDVGGOROFRW-CALCHBBNSA-N 2 1 296.524 3.326 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CCSC3CCCCC3)C[C@]2(C)C1 ZINC000931313478 639133359 /nfs/dbraw/zinc/13/33/59/639133359.db2.gz BUTGDVGGOROFRW-CALCHBBNSA-N 2 1 296.524 3.326 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CCSC3CCCCC3)C[C@]2(C)C1 ZINC000931313478 639133362 /nfs/dbraw/zinc/13/33/62/639133362.db2.gz BUTGDVGGOROFRW-CALCHBBNSA-N 2 1 296.524 3.326 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCSC3CCCCC3)C[C@]2(C)C1 ZINC000931313478 639133364 /nfs/dbraw/zinc/13/33/64/639133364.db2.gz BUTGDVGGOROFRW-CALCHBBNSA-N 2 1 296.524 3.326 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000931353141 639139249 /nfs/dbraw/zinc/13/92/49/639139249.db2.gz BFQGLYHKCYJZFH-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000931354845 639139566 /nfs/dbraw/zinc/13/95/66/639139566.db2.gz OOAILHPRSJKMKE-UHFFFAOYSA-N 2 1 264.388 3.072 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934696383 639659155 /nfs/dbraw/zinc/65/91/55/639659155.db2.gz RMSOPQZUMXZWFP-KRWDZBQOSA-N 2 1 284.407 3.108 20 0 CGADMP CC[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133753 640858864 /nfs/dbraw/zinc/85/88/64/640858864.db2.gz FZVRDMLNEOJQQU-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133753 640858865 /nfs/dbraw/zinc/85/88/65/640858865.db2.gz FZVRDMLNEOJQQU-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP CC1(C)CC([NH3+])CC(C)(C)N1c1cc(C2CC2)cc[nH+]1 ZINC001156773928 805733381 /nfs/dbraw/zinc/73/33/81/805733381.db2.gz OGTJUHJNJIPWGH-UHFFFAOYSA-N 2 1 273.424 3.444 20 0 CGADMP CC[NH+](CC)c1ccc(Nc2cnc3c(c2)C[NH2+]CC3)cc1 ZINC001159140460 806051329 /nfs/dbraw/zinc/05/13/29/806051329.db2.gz NRZHMFMSIQPUKL-UHFFFAOYSA-N 2 1 296.418 3.317 20 0 CGADMP CCC[NH+](CCC)c1ccc(NC2=CC[NH2+]C2)cc1 ZINC001159539350 806118570 /nfs/dbraw/zinc/11/85/70/806118570.db2.gz DROJBWMCVBLXMI-UHFFFAOYSA-N 2 1 259.397 3.212 20 0 CGADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1CCC(C(C)(C)C)CC1 ZINC001253394678 806214215 /nfs/dbraw/zinc/21/42/15/806214215.db2.gz QNWHRXAIRPBURK-UYSNPLJNSA-N 2 1 298.515 3.272 20 0 CGADMP FC(F)(F)[C@H]1C[NH2+]CC[C@H]1Nc1[nH+]ccc2ccccc21 ZINC001160739432 806299777 /nfs/dbraw/zinc/29/97/77/806299777.db2.gz XCTINHDAYJOTAK-QWHCGFSZSA-N 2 1 295.308 3.187 20 0 CGADMP Cc1cc(C)nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001161181301 806356214 /nfs/dbraw/zinc/35/62/14/806356214.db2.gz PEAXTVRERBEBPV-INIZCTEOSA-N 2 1 273.424 3.375 20 0 CGADMP Cc1cc(C)[nH+]c(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001161181301 806356224 /nfs/dbraw/zinc/35/62/24/806356224.db2.gz PEAXTVRERBEBPV-INIZCTEOSA-N 2 1 273.424 3.375 20 0 CGADMP Cc1cc(C)[nH+]c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001161181301 806356232 /nfs/dbraw/zinc/35/62/32/806356232.db2.gz PEAXTVRERBEBPV-INIZCTEOSA-N 2 1 273.424 3.375 20 0 CGADMP CCC[NH+](CCC)CC[NH2+]C1CCC2(CC2)CC1 ZINC001254432345 806394983 /nfs/dbraw/zinc/39/49/83/806394983.db2.gz GFCOXJMMYSFDPC-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCc2ccccc2CC1 ZINC001254452222 806404752 /nfs/dbraw/zinc/40/47/52/806404752.db2.gz GLCSQAFNXAMQPY-SFHVURJKSA-N 2 1 272.436 3.008 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254506462 806425114 /nfs/dbraw/zinc/42/51/14/806425114.db2.gz SPDPTYMPCJBMMM-DOTOQJQBSA-N 2 1 258.409 3.056 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@@H]1CCC[N@H+](C)CC1 ZINC001254506080 806425685 /nfs/dbraw/zinc/42/56/85/806425685.db2.gz OTLYGLBQOPCPFD-WBVHZDCISA-N 2 1 287.451 3.079 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)Cc2ccccc2F)CC1 ZINC001254506873 806428030 /nfs/dbraw/zinc/42/80/30/806428030.db2.gz BWKKSGVEZFLQKT-OAHLLOKOSA-N 2 1 278.415 3.221 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001254512215 806432579 /nfs/dbraw/zinc/43/25/79/806432579.db2.gz KVUXBAKDAWVQSO-DZGCQCFKSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001254512215 806432583 /nfs/dbraw/zinc/43/25/83/806432583.db2.gz KVUXBAKDAWVQSO-DZGCQCFKSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)[C@H]1CCC[NH+](C)CC1 ZINC001254527505 806442270 /nfs/dbraw/zinc/44/22/70/806442270.db2.gz YRXZBYOTMKULHQ-HNNXBMFYSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccccc1Cl)[C@H]1CCC[N@H+](C)CC1 ZINC001254527505 806442272 /nfs/dbraw/zinc/44/22/72/806442272.db2.gz YRXZBYOTMKULHQ-HNNXBMFYSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccccc1Cl)[C@H]1CCC[N@@H+](C)CC1 ZINC001254527505 806442277 /nfs/dbraw/zinc/44/22/77/806442277.db2.gz YRXZBYOTMKULHQ-HNNXBMFYSA-N 2 1 280.843 3.299 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@@H]1CCC[NH+](C)CC1 ZINC001254530246 806443086 /nfs/dbraw/zinc/44/30/86/806443086.db2.gz VSRHIPULUTULBQ-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP CC[NH+](Cc1cccs1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530246 806443091 /nfs/dbraw/zinc/44/30/91/806443091.db2.gz VSRHIPULUTULBQ-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP CC[NH+](Cc1cccs1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530246 806443095 /nfs/dbraw/zinc/44/30/95/806443095.db2.gz VSRHIPULUTULBQ-CYBMUJFWSA-N 2 1 252.427 3.054 20 0 CGADMP Cc1cnccc1O[C@H]1CC[N@H+](C2Cc3ccccc3C2)C1 ZINC001255029506 806529702 /nfs/dbraw/zinc/52/97/02/806529702.db2.gz VMIODSXBELQAFU-SFHVURJKSA-N 2 1 294.398 3.011 20 0 CGADMP C[NH2+]Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001255116732 806547069 /nfs/dbraw/zinc/54/70/69/806547069.db2.gz YYNZAYURJNFHGG-IBGZPJMESA-N 2 1 295.430 3.092 20 0 CGADMP C[C@@H](CC(F)(F)F)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255646312 806693146 /nfs/dbraw/zinc/69/31/46/806693146.db2.gz PLDQJXQUTMBHHE-RYUDHWBXSA-N 2 1 266.351 3.168 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000037643751 798871579 /nfs/dbraw/zinc/87/15/79/798871579.db2.gz BMNXXKGHRDELLI-GFCCVEGCSA-N 2 1 287.234 3.425 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001255667713 806699664 /nfs/dbraw/zinc/69/96/64/806699664.db2.gz PWYBHZFWSZDURN-HMQMGEFJSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001255667713 806699668 /nfs/dbraw/zinc/69/96/68/806699668.db2.gz PWYBHZFWSZDURN-HMQMGEFJSA-N 2 1 273.424 3.138 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255667175 806700231 /nfs/dbraw/zinc/70/02/31/806700231.db2.gz DCRCYUNOTHOULT-CSNJMZFVSA-N 3 1 295.515 3.102 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255667175 806700237 /nfs/dbraw/zinc/70/02/37/806700237.db2.gz DCRCYUNOTHOULT-CSNJMZFVSA-N 3 1 295.515 3.102 20 0 CGADMP C[N@@H+](Cc1cccs1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680528 806704772 /nfs/dbraw/zinc/70/47/72/806704772.db2.gz YUZSCHQBGGMQQP-PBWFPOADSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1cccs1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680528 806704781 /nfs/dbraw/zinc/70/47/81/806704781.db2.gz YUZSCHQBGGMQQP-PBWFPOADSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1cccs1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680528 806704786 /nfs/dbraw/zinc/70/47/86/806704786.db2.gz YUZSCHQBGGMQQP-PBWFPOADSA-N 2 1 264.438 3.195 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000121826026 798989001 /nfs/dbraw/zinc/98/90/01/798989001.db2.gz DWLLOGUBPMLOLY-MAUKXSAKSA-N 2 1 290.451 3.468 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255688550 806706813 /nfs/dbraw/zinc/70/68/13/806706813.db2.gz BFCUJAZVGMSCBG-XHJNMGKDSA-N 2 1 290.373 3.322 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC000300244484 799203342 /nfs/dbraw/zinc/20/33/42/799203342.db2.gz ZKOFMSMYJJSRRI-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC000300244484 799203344 /nfs/dbraw/zinc/20/33/44/799203344.db2.gz ZKOFMSMYJJSRRI-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380908759 799369418 /nfs/dbraw/zinc/36/94/18/799369418.db2.gz JHRXDWFSSZPGRY-AEFFLSMTSA-N 2 1 298.430 3.322 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000381287758 799376217 /nfs/dbraw/zinc/37/62/17/799376217.db2.gz WSEDPALGBKHMSA-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000381287758 799376225 /nfs/dbraw/zinc/37/62/25/799376225.db2.gz WSEDPALGBKHMSA-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000384085199 799411537 /nfs/dbraw/zinc/41/15/37/799411537.db2.gz AAFVPCSMAYYRTG-MOTUXRJWSA-N 2 1 250.430 3.028 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000387372938 799445791 /nfs/dbraw/zinc/44/57/91/799445791.db2.gz ZEVPNMSLQNFXNN-WTFUZHRASA-N 2 1 288.479 3.134 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000387372938 799445794 /nfs/dbraw/zinc/44/57/94/799445794.db2.gz ZEVPNMSLQNFXNN-WTFUZHRASA-N 2 1 288.479 3.134 20 0 CGADMP C[C@@H]1C[C@H](NC(=[NH2+])C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000397960976 799523970 /nfs/dbraw/zinc/52/39/70/799523970.db2.gz FAGFYVWROBOAIB-HIFRSBDPSA-N 2 1 273.424 3.262 20 0 CGADMP C[C@@H]1C[C@H](NC(=[NH2+])C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000397960976 799523976 /nfs/dbraw/zinc/52/39/76/799523976.db2.gz FAGFYVWROBOAIB-HIFRSBDPSA-N 2 1 273.424 3.262 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)Cc2ccc(C)cc2)CC1 ZINC001255795892 806756406 /nfs/dbraw/zinc/75/64/06/806756406.db2.gz LYOGVXHGOPXCOM-MRXNPFEDSA-N 2 1 274.452 3.342 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cncc3ccccc32)[C@@H]1CC[NH3+] ZINC000404293526 799576047 /nfs/dbraw/zinc/57/60/47/799576047.db2.gz WFCKXLREELQQFO-KBXCAEBGSA-N 2 1 283.419 3.184 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3F)C[C@H]2C1 ZINC001255857783 806771542 /nfs/dbraw/zinc/77/15/42/806771542.db2.gz RWEBPACDPDPTHG-USXIJHARSA-N 2 1 290.426 3.030 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccccc1F ZINC001255858632 806771602 /nfs/dbraw/zinc/77/16/02/806771602.db2.gz ZETINFBWYIQJPX-CQSZACIVSA-N 2 1 266.404 3.030 20 0 CGADMP Clc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000692941450 799805098 /nfs/dbraw/zinc/80/50/98/799805098.db2.gz SZXWHMSLISBAPV-LBPRGKRZSA-N 2 1 299.871 3.008 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)[C@@H]1CCC[NH3+] ZINC000693486429 799810604 /nfs/dbraw/zinc/81/06/04/799810604.db2.gz LOZDETDBDJSRAS-FRRDWIJNSA-N 2 1 293.282 3.410 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000699306190 799859330 /nfs/dbraw/zinc/85/93/30/799859330.db2.gz VNXVXXOWJSAWAF-QDZFIJTISA-N 2 1 270.420 3.007 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000700823803 799881250 /nfs/dbraw/zinc/88/12/50/799881250.db2.gz SIUOYUJEENAMEZ-MCIONIFRSA-N 2 1 292.389 3.429 20 0 CGADMP Cc1csc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000701910912 799898455 /nfs/dbraw/zinc/89/84/55/799898455.db2.gz OUQUUUVJTPFKIC-RLAWYHOSSA-N 2 1 279.453 3.117 20 0 CGADMP Cc1csc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000701910912 799898462 /nfs/dbraw/zinc/89/84/62/799898462.db2.gz OUQUUUVJTPFKIC-RLAWYHOSSA-N 2 1 279.453 3.117 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000708860959 799997523 /nfs/dbraw/zinc/99/75/23/799997523.db2.gz NQEXJIJDAQQBDR-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc2ocnc2c1 ZINC001255951555 806795506 /nfs/dbraw/zinc/79/55/06/806795506.db2.gz QJUSLDUAWWFEPH-ZDUSSCGKSA-N 2 1 275.396 3.038 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC001255950273 806795721 /nfs/dbraw/zinc/79/57/21/806795721.db2.gz GOKGGTCMVWIMGJ-YOEHRIQHSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000709847830 800020068 /nfs/dbraw/zinc/02/00/68/800020068.db2.gz CTXNCEFOSATIHA-SFHVURJKSA-N 2 1 272.436 3.040 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC001255954187 806796909 /nfs/dbraw/zinc/79/69/09/806796909.db2.gz ASYVBIFUSVRRGP-CJNGLKHVSA-N 2 1 276.424 3.090 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710730894 800038156 /nfs/dbraw/zinc/03/81/56/800038156.db2.gz YBXUVRQFFSRUIP-ZDUSSCGKSA-N 2 1 252.377 3.338 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001255957667 806798170 /nfs/dbraw/zinc/79/81/70/806798170.db2.gz UHTZBNYCPYAJCE-DOTOQJQBSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001255957667 806798174 /nfs/dbraw/zinc/79/81/74/806798174.db2.gz UHTZBNYCPYAJCE-DOTOQJQBSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001255955900 806798609 /nfs/dbraw/zinc/79/86/09/806798609.db2.gz XGEDIWBSHFWVRO-OAHLLOKOSA-N 2 1 260.425 3.165 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001255955900 806798613 /nfs/dbraw/zinc/79/86/13/806798613.db2.gz XGEDIWBSHFWVRO-OAHLLOKOSA-N 2 1 260.425 3.165 20 0 CGADMP C/C=C\C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716691636 800179354 /nfs/dbraw/zinc/17/93/54/800179354.db2.gz IRUTYWDVODMNPL-FRTIVUNVSA-N 2 1 270.420 3.205 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709684 800179388 /nfs/dbraw/zinc/17/93/88/800179388.db2.gz CPTWEKNWMGTHPD-DKIMLUQUSA-N 2 1 272.436 3.428 20 0 CGADMP CC(C)([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC001256066893 806809744 /nfs/dbraw/zinc/80/97/44/806809744.db2.gz WRUQEPOOAXGMBG-UHFFFAOYSA-N 2 1 258.409 3.138 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000718754293 800222168 /nfs/dbraw/zinc/22/21/68/800222168.db2.gz QVCUBMIABLEUEK-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CSC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000720521446 800260573 /nfs/dbraw/zinc/26/05/73/800260573.db2.gz IBVRNXSBNHMDRB-LVDPKSTMSA-N 2 1 282.497 3.125 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCCC2)C[C@H]1C(F)(F)F ZINC000720890929 800271018 /nfs/dbraw/zinc/27/10/18/800271018.db2.gz XQPXABVUUSJMDD-ZIAGYGMSSA-N 2 1 292.389 3.416 20 0 CGADMP Cc1cc(C)[nH+]c(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC000721836821 800301873 /nfs/dbraw/zinc/30/18/73/800301873.db2.gz LDZBIEMXJNIQJR-AWEZNQCLSA-N 2 1 267.376 3.283 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCC2(CC2)CC1 ZINC000723437160 800328112 /nfs/dbraw/zinc/32/81/12/800328112.db2.gz GWAKDTVAKGNBEF-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000723675199 800336331 /nfs/dbraw/zinc/33/63/31/800336331.db2.gz RBZDFTVOZVOVTD-SNVBAGLBSA-N 2 1 273.207 3.164 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723674882 800336512 /nfs/dbraw/zinc/33/65/12/800336512.db2.gz GBPGDNJDSYRLTL-NEPJUHHUSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723675168 800337259 /nfs/dbraw/zinc/33/72/59/800337259.db2.gz PHADVSOZPNTZGS-VXGBXAGGSA-N 2 1 297.240 3.181 20 0 CGADMP C[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC001256196503 806847116 /nfs/dbraw/zinc/84/71/16/806847116.db2.gz PGPIXRQYTQHMLR-UHFFFAOYSA-N 2 1 278.827 3.055 20 0 CGADMP CN1CCC([N@@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC001256201530 806849814 /nfs/dbraw/zinc/84/98/14/806849814.db2.gz GVDZSEBIVCGIKD-UHFFFAOYSA-N 2 1 260.425 3.381 20 0 CGADMP C[NH+]1CCC([NH+]2CCC3(C=Cc4ccccc43)CC2)CC1 ZINC001256203211 806850910 /nfs/dbraw/zinc/85/09/10/806850910.db2.gz DWZONFNYIBOXKW-UHFFFAOYSA-N 2 1 282.431 3.141 20 0 CGADMP CC(C)CC[C@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001256365442 806869925 /nfs/dbraw/zinc/86/99/25/806869925.db2.gz QIEKZHGLUJPGKL-HNNXBMFYSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)CC[C@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001256365442 806869931 /nfs/dbraw/zinc/86/99/31/806869931.db2.gz QIEKZHGLUJPGKL-HNNXBMFYSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1cc(NCc2cccc(C[NH+](C)C)c2)c2[nH+]ccn2c1 ZINC001163994857 806870816 /nfs/dbraw/zinc/87/08/16/806870816.db2.gz RDWIAKYFWYZRLX-UHFFFAOYSA-N 2 1 294.402 3.316 20 0 CGADMP C[C@H]1C[C@@H](n2cccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256522690 806909529 /nfs/dbraw/zinc/90/95/29/806909529.db2.gz IBWTWWGMDBAZHU-RDJZCZTQSA-N 2 1 283.419 3.172 20 0 CGADMP CCOCC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172430319 808308473 /nfs/dbraw/zinc/30/84/73/808308473.db2.gz GQSDYVFDSIKXAY-YESZJQIVSA-N 2 1 282.472 3.140 20 0 CGADMP CCOCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172430319 808308480 /nfs/dbraw/zinc/30/84/80/808308480.db2.gz GQSDYVFDSIKXAY-YESZJQIVSA-N 2 1 282.472 3.140 20 0 CGADMP CCOCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172430319 808308487 /nfs/dbraw/zinc/30/84/87/808308487.db2.gz GQSDYVFDSIKXAY-YESZJQIVSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172846175 808458867 /nfs/dbraw/zinc/45/88/67/808458867.db2.gz SDTYKCCXTTXJDZ-QWHCGFSZSA-N 2 1 298.833 3.484 20 0 CGADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1C(F)F ZINC001119941075 802710681 /nfs/dbraw/zinc/71/06/81/802710681.db2.gz VPGRQPJKGWBFDL-LBPRGKRZSA-N 2 1 298.352 3.337 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@@H]2C1 ZINC001119988970 802721685 /nfs/dbraw/zinc/72/16/85/802721685.db2.gz MMAOCYYYJKGCNF-HZSPNIEDSA-N 2 1 294.389 3.127 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC001120071857 802733343 /nfs/dbraw/zinc/73/33/43/802733343.db2.gz OBAJPBIXLYHVRH-QLFBSQMISA-N 2 1 294.389 3.127 20 0 CGADMP FC1(F)CC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895760 807000303 /nfs/dbraw/zinc/00/03/03/807000303.db2.gz YDLPQCBHJFNNSK-ZDUSSCGKSA-N 2 1 272.383 3.028 20 0 CGADMP FC1(F)CC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895760 807000311 /nfs/dbraw/zinc/00/03/11/807000311.db2.gz YDLPQCBHJFNNSK-ZDUSSCGKSA-N 2 1 272.383 3.028 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900501 807001856 /nfs/dbraw/zinc/00/18/56/807001856.db2.gz NQOVSVPDBQCIMX-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900501 807001860 /nfs/dbraw/zinc/00/18/60/807001860.db2.gz NQOVSVPDBQCIMX-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[N@@H+](CC)CCN[C@@H]1CCC[NH+](C2CCCC2)C1 ZINC001256899756 807003471 /nfs/dbraw/zinc/00/34/71/807003471.db2.gz WBUHBNZKCKZYIQ-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP CCCC[NH+](CC)CCN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256899756 807003478 /nfs/dbraw/zinc/00/34/78/807003478.db2.gz WBUHBNZKCKZYIQ-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP CCCC[NH+](CC)CCN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256899756 807003484 /nfs/dbraw/zinc/00/34/84/807003484.db2.gz WBUHBNZKCKZYIQ-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP C1CC2(C1)CC([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256905378 807006335 /nfs/dbraw/zinc/00/63/35/807006335.db2.gz PIBDJEKXJCNBPA-AWEZNQCLSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)CC([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256905378 807006339 /nfs/dbraw/zinc/00/63/39/807006339.db2.gz PIBDJEKXJCNBPA-AWEZNQCLSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC001205075016 812848206 /nfs/dbraw/zinc/84/82/06/812848206.db2.gz FEOYWSZQVPAONN-YOEHRIQHSA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC001205075016 812848213 /nfs/dbraw/zinc/84/82/13/812848213.db2.gz FEOYWSZQVPAONN-YOEHRIQHSA-N 2 1 281.403 3.060 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+](C)CCC[NH+]3CCCC3)cc2c1 ZINC001138416266 803923522 /nfs/dbraw/zinc/92/35/22/803923522.db2.gz WQQNZGMHFXOWHA-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+](C)CCC[NH+]3CCCC3)cc2c1 ZINC001138416266 803923528 /nfs/dbraw/zinc/92/35/28/803923528.db2.gz WQQNZGMHFXOWHA-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CC2CCOCC2)cc1 ZINC001138544910 803963356 /nfs/dbraw/zinc/96/33/56/803963356.db2.gz PIHJWHHXNIPXMV-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CC2CCOCC2)cc1 ZINC001138544910 803963359 /nfs/dbraw/zinc/96/33/59/803963359.db2.gz PIHJWHHXNIPXMV-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP COc1cc(C)c(C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1C ZINC001138723862 804021252 /nfs/dbraw/zinc/02/12/52/804021252.db2.gz WUPZSMJUDVTZQL-UHFFFAOYSA-N 2 1 290.451 3.146 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1C ZINC001138723862 804021261 /nfs/dbraw/zinc/02/12/61/804021261.db2.gz WUPZSMJUDVTZQL-UHFFFAOYSA-N 2 1 290.451 3.146 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)s1 ZINC001138756109 804032199 /nfs/dbraw/zinc/03/21/99/804032199.db2.gz XKYSSIJHGLEDMS-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)s1 ZINC001138756109 804032205 /nfs/dbraw/zinc/03/22/05/804032205.db2.gz XKYSSIJHGLEDMS-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)s1 ZINC001138756109 804032213 /nfs/dbraw/zinc/03/22/13/804032213.db2.gz XKYSSIJHGLEDMS-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)s1 ZINC001138756109 804032221 /nfs/dbraw/zinc/03/22/21/804032221.db2.gz XKYSSIJHGLEDMS-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2(CC2)C1 ZINC001138771900 804036156 /nfs/dbraw/zinc/03/61/56/804036156.db2.gz JRBVSWVHYAQAOC-OAHLLOKOSA-N 2 1 288.435 3.001 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4occc4c3)C[C@@H]2C1 ZINC001138825974 804052845 /nfs/dbraw/zinc/05/28/45/804052845.db2.gz KTMIQHWIDNORQF-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4occc4c3)C[C@@H]2C1 ZINC001138825974 804052856 /nfs/dbraw/zinc/05/28/56/804052856.db2.gz KTMIQHWIDNORQF-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4occc4c3)C[C@@H]2C1 ZINC001138825974 804052863 /nfs/dbraw/zinc/05/28/63/804052863.db2.gz KTMIQHWIDNORQF-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4occc4c3)C[C@@H]2C1 ZINC001138825974 804052871 /nfs/dbraw/zinc/05/28/71/804052871.db2.gz KTMIQHWIDNORQF-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246075510 804114632 /nfs/dbraw/zinc/11/46/32/804114632.db2.gz UWVVOXFCGMNRBD-HZPDHXFCSA-N 2 1 282.378 3.365 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cc(Cl)ccc2Cl)C[NH2+]1 ZINC001246099398 804131946 /nfs/dbraw/zinc/13/19/46/804131946.db2.gz XAXSHYIMFCNHBO-ZWNOBZJWSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C[NH2+]1 ZINC001246121933 804152619 /nfs/dbraw/zinc/15/26/19/804152619.db2.gz CNJILAQOVDWSQM-UKRRQHHQSA-N 2 1 250.430 3.220 20 0 CGADMP c1ccc2c(c1)CCC21CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246130857 804157318 /nfs/dbraw/zinc/15/73/18/804157318.db2.gz WVZUOKFBNBGOFJ-HFCFLWKCSA-N 2 1 284.447 3.155 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C[NH2+]1 ZINC001246180473 804193730 /nfs/dbraw/zinc/19/37/30/804193730.db2.gz RVQDOZJBWQBJKH-DIYAKSSWSA-N 2 1 276.468 3.466 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246210609 804208255 /nfs/dbraw/zinc/20/82/55/804208255.db2.gz GAGKWDIVFQMEQC-KRWDZBQOSA-N 3 1 297.531 3.399 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246218619 804213536 /nfs/dbraw/zinc/21/35/36/804213536.db2.gz CAPVMBKQJHTSER-KBPBESRZSA-N 2 1 276.415 3.426 20 0 CGADMP CCCC[C@H](CC)COCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246218023 804213618 /nfs/dbraw/zinc/21/36/18/804213618.db2.gz YMTIEOSGZIHIKK-ULQDDVLXSA-N 2 1 284.488 3.340 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)C[C@@H](C)C1 ZINC001246221042 804214474 /nfs/dbraw/zinc/21/44/74/804214474.db2.gz NHNKYQCNLFMXHX-DGAVXFQQSA-N 2 1 274.399 3.036 20 0 CGADMP CCC1CCC([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)CC1 ZINC001246220027 804215424 /nfs/dbraw/zinc/21/54/24/804215424.db2.gz IQVQRNUQMZJFIV-RUXDESIVSA-N 2 1 274.399 3.180 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)C)C2)c(F)c1 ZINC001246233704 804227346 /nfs/dbraw/zinc/22/73/46/804227346.db2.gz LIEOSLFOKDANRA-ZBFHGGJFSA-N 2 1 264.388 3.000 20 0 CGADMP Clc1ccc(C2(C[NH2+][C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246241862 804233145 /nfs/dbraw/zinc/23/31/45/804233145.db2.gz ZDESDMFDDSCELA-HNNXBMFYSA-N 2 1 278.827 3.103 20 0 CGADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)cc(F)c1 ZINC001246276739 804253752 /nfs/dbraw/zinc/25/37/52/804253752.db2.gz CXYZALKTFJLIEM-YIONKMFJSA-N 2 1 280.362 3.073 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+]C2(C[NH3+])CCCC2)cc1 ZINC001246278878 804255547 /nfs/dbraw/zinc/25/55/47/804255547.db2.gz JDYFGMJIHICPDQ-CQSZACIVSA-N 2 1 278.465 3.337 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)c2cc(F)cc(F)c2)C[C@H](C)[NH2+]1 ZINC001246281688 804256220 /nfs/dbraw/zinc/25/62/20/804256220.db2.gz UFDSWNPLUVBWHY-QHBPRCKVSA-N 2 1 282.378 3.319 20 0 CGADMP CC/C=C/[NH2+][C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246301124 804267689 /nfs/dbraw/zinc/26/76/89/804267689.db2.gz VMQFMBHERHVBLL-XSXXPSGLSA-N 2 1 262.372 3.441 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccc(OC)c1 ZINC001246318689 804278912 /nfs/dbraw/zinc/27/89/12/804278912.db2.gz BHFOLQPIJIFQOD-DNVCBOLYSA-N 2 1 298.430 3.372 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246324000 804281996 /nfs/dbraw/zinc/28/19/96/804281996.db2.gz DNEJOSVFNWFKSQ-HFAKWTLXSA-N 2 1 284.806 3.140 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001246344238 804296693 /nfs/dbraw/zinc/29/66/93/804296693.db2.gz PEYQAOQLFFEFBJ-CQSZACIVSA-N 2 1 278.827 3.413 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001246348465 804298389 /nfs/dbraw/zinc/29/83/89/804298389.db2.gz WHCIKSXIWQMZCZ-WFASDCNBSA-N 2 1 280.843 3.160 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246360194 804304308 /nfs/dbraw/zinc/30/43/08/804304308.db2.gz GCFQAAUFTSGOPT-VVLHAWIVSA-N 2 1 295.515 3.148 20 0 CGADMP Cc1ccccc1CC1(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246386233 804316328 /nfs/dbraw/zinc/31/63/28/804316328.db2.gz GGHLUYBNZWPRLT-DOTOQJQBSA-N 2 1 272.436 3.048 20 0 CGADMP CCCCC(CCCC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411498 804325486 /nfs/dbraw/zinc/32/54/86/804325486.db2.gz FGAZUGKIHRGXAE-OAHLLOKOSA-N 2 1 270.461 3.092 20 0 CGADMP CCC1([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCC(F)(F)CC1 ZINC001246417369 804326365 /nfs/dbraw/zinc/32/63/65/804326365.db2.gz UTLZGYJIGSMZBG-NWDGAFQWSA-N 2 1 260.372 3.075 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC(C)(C)Cc2ccccc2F)C[NH2+]1 ZINC001246429996 804330400 /nfs/dbraw/zinc/33/04/00/804330400.db2.gz CUWSECAIXRHFIS-DZGCQCFKSA-N 2 1 278.415 3.125 20 0 CGADMP CCCCCC[C@H](CCCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246452012 804335993 /nfs/dbraw/zinc/33/59/93/804335993.db2.gz IPBAFOUDAZQQHG-KRWDZBQOSA-N 3 1 285.520 3.434 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)CC[NH2+]2)cc1 ZINC001246458333 804340734 /nfs/dbraw/zinc/34/07/34/804340734.db2.gz QDYFFOQDDGQQBJ-QRIFCXAISA-N 2 1 270.420 3.258 20 0 CGADMP CC[C@]1([NH2+][C@H](C)Cc2ccccc2Cl)CC[NH2+]C1 ZINC001246461902 804341740 /nfs/dbraw/zinc/34/17/40/804341740.db2.gz QLMIZNDUVOBSQB-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2c3ccccc3-c3ccccc32)C[NH2+]1 ZINC001246472836 804348833 /nfs/dbraw/zinc/34/88/33/804348833.db2.gz ZABBPPHRDLROQC-KBPBESRZSA-N 2 1 278.399 3.139 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(C)c1C ZINC001246475560 804352695 /nfs/dbraw/zinc/35/26/95/804352695.db2.gz OTTDYMSNXFVOIA-NVXWUHKLSA-N 2 1 260.425 3.486 20 0 CGADMP CCCC(CCC)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246483180 804355961 /nfs/dbraw/zinc/35/59/61/804355961.db2.gz SANZTMFZQJLCJX-GFCCVEGCSA-N 2 1 262.388 3.180 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246484579 804356230 /nfs/dbraw/zinc/35/62/30/804356230.db2.gz XZYFTAUVLJRXTG-GDBMZVCRSA-N 2 1 296.405 3.151 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246486488 804356419 /nfs/dbraw/zinc/35/64/19/804356419.db2.gz JWXJBLXQEDQHCV-HZPDHXFCSA-N 2 1 296.405 3.232 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001246499809 804361707 /nfs/dbraw/zinc/36/17/07/804361707.db2.gz GATJUFQNMFOEJZ-GJZGRUSLSA-N 2 1 272.477 3.467 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001246500664 804363290 /nfs/dbraw/zinc/36/32/90/804363290.db2.gz XVRLHMVTWVUXPJ-HJZRJOMTSA-N 2 1 286.463 3.376 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246518996 804371692 /nfs/dbraw/zinc/37/16/92/804371692.db2.gz KSAYGGDGKHYRPA-BJWYYQGGSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CC[NH2+]1 ZINC001246521227 804375667 /nfs/dbraw/zinc/37/56/67/804375667.db2.gz YHXHADOSRDQKLD-GDBMZVCRSA-N 2 1 260.425 3.428 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246533767 804383267 /nfs/dbraw/zinc/38/32/67/804383267.db2.gz OBIOEEQEODBSHJ-JXQTWKCFSA-N 2 1 250.430 3.014 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246533767 804383275 /nfs/dbraw/zinc/38/32/75/804383275.db2.gz OBIOEEQEODBSHJ-JXQTWKCFSA-N 2 1 250.430 3.014 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001246547962 804397817 /nfs/dbraw/zinc/39/78/17/804397817.db2.gz DGYZZMREPWVBSO-RYRKJORJSA-N 2 1 274.452 3.233 20 0 CGADMP COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246551027 804400631 /nfs/dbraw/zinc/40/06/31/804400631.db2.gz JWYLGOFRNUSLDJ-QAPCUYQASA-N 2 1 290.451 3.220 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552856 804401981 /nfs/dbraw/zinc/40/19/81/804401981.db2.gz WBFCPUOREYADPV-SOUVJXGZSA-N 2 1 258.425 3.354 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246557258 804406819 /nfs/dbraw/zinc/40/68/19/804406819.db2.gz KGYKALKREVJMDX-NZSAHSFTSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246559706 804408825 /nfs/dbraw/zinc/40/88/25/804408825.db2.gz PHDQILRZKHKKLA-QGZVFWFLSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC3(CCOCC3)CC2)CCC[C@@H]1C[NH3+] ZINC001246560398 804409782 /nfs/dbraw/zinc/40/97/82/804409782.db2.gz FYWWITANCJHWPX-HZPDHXFCSA-N 2 1 294.483 3.033 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@@H](F)CC2)C[C@@H](CC)[NH2+]1 ZINC001246561575 804410291 /nfs/dbraw/zinc/41/02/91/804410291.db2.gz WJXGBYHECFERCG-MGPQQGTHSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246562904 804411426 /nfs/dbraw/zinc/41/14/26/804411426.db2.gz IGPFSFPYJXQPBL-SRCQZFHVSA-N 2 1 292.854 3.257 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246563775 804411447 /nfs/dbraw/zinc/41/14/47/804411447.db2.gz SNPIEFQOTOPLQU-IXDOHACOSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC[C@H]1C[NH3+] ZINC001246562746 804411508 /nfs/dbraw/zinc/41/15/08/804411508.db2.gz WISWZGJDBGTMPJ-ZOBORPQBSA-N 2 1 292.389 3.414 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246562567 804412077 /nfs/dbraw/zinc/41/20/77/804412077.db2.gz YLOJQEAXWKBZRP-CHWSQXEVSA-N 2 1 262.388 3.261 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001246565759 804413686 /nfs/dbraw/zinc/41/36/86/804413686.db2.gz PUAYTLPKPVEUAQ-BQFCYCMXSA-N 2 1 274.452 3.375 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246575675 804423014 /nfs/dbraw/zinc/42/30/14/804423014.db2.gz KYBKIRHEDKFHIR-ZFWWWQNUSA-N 2 1 272.502 3.358 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575814 804422674 /nfs/dbraw/zinc/42/26/74/804422674.db2.gz IZHRMRINMAVFKC-ZNMIVQPWSA-N 2 1 258.425 3.354 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575814 804422679 /nfs/dbraw/zinc/42/26/79/804422679.db2.gz IZHRMRINMAVFKC-ZNMIVQPWSA-N 2 1 258.425 3.354 20 0 CGADMP CCCC1CCC([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246579746 804424966 /nfs/dbraw/zinc/42/49/66/804424966.db2.gz KZYDYUYWQAOFFB-UYSNPLJNSA-N 2 1 270.436 3.498 20 0 CGADMP CCCC1CCC([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246579746 804424971 /nfs/dbraw/zinc/42/49/71/804424971.db2.gz KZYDYUYWQAOFFB-UYSNPLJNSA-N 2 1 270.436 3.498 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246580861 804426448 /nfs/dbraw/zinc/42/64/48/804426448.db2.gz IGKIOSCZTMMURC-UKRRQHHQSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246586307 804429061 /nfs/dbraw/zinc/42/90/61/804429061.db2.gz MUKUYCDJYDJWLQ-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246586309 804429886 /nfs/dbraw/zinc/42/98/86/804429886.db2.gz MUKUYCDJYDJWLQ-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246601766 804438991 /nfs/dbraw/zinc/43/89/91/804438991.db2.gz GRFFMJUDYUIXDC-SJLPKXTDSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246602049 804440464 /nfs/dbraw/zinc/44/04/64/804440464.db2.gz BUYKVSDVNNHPLH-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246604766 804441671 /nfs/dbraw/zinc/44/16/71/804441671.db2.gz NZBLNLTVGFMZPC-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246604766 804441673 /nfs/dbraw/zinc/44/16/73/804441673.db2.gz NZBLNLTVGFMZPC-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246605664 804441772 /nfs/dbraw/zinc/44/17/72/804441772.db2.gz PXAWPAHGZXFTSY-MRXNPFEDSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCCC(CCCCC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246611873 804446541 /nfs/dbraw/zinc/44/65/41/804446541.db2.gz DOPZYCLALUIOKP-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C[C@@H]1C ZINC001246614666 804447945 /nfs/dbraw/zinc/44/79/45/804447945.db2.gz UBZNKJVPLWGVMS-PMPSAXMXSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614187 804448062 /nfs/dbraw/zinc/44/80/62/804448062.db2.gz MQYKPPSZGJQKSP-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246615128 804448635 /nfs/dbraw/zinc/44/86/35/804448635.db2.gz CRLWAMYKTGRQFP-ZFWWWQNUSA-N 2 1 270.486 3.125 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246616619 804451776 /nfs/dbraw/zinc/45/17/76/804451776.db2.gz YTBMCHOJESSXGG-DLBZAZTESA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246616619 804451782 /nfs/dbraw/zinc/45/17/82/804451782.db2.gz YTBMCHOJESSXGG-DLBZAZTESA-N 2 1 290.838 3.025 20 0 CGADMP C1C[NH2+]C2(C1)CC[NH+](C1CCCCCCC1)CC2 ZINC001246623285 804455116 /nfs/dbraw/zinc/45/51/16/804455116.db2.gz LIQKPSNWKGOQKS-UHFFFAOYSA-N 2 1 250.430 3.317 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246623585 804455641 /nfs/dbraw/zinc/45/56/41/804455641.db2.gz APKYYNUKNIEIQT-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001246628135 804458767 /nfs/dbraw/zinc/45/87/67/804458767.db2.gz ATRPVUCWUUYRMP-LBPRGKRZSA-N 2 1 296.867 3.116 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246628135 804458769 /nfs/dbraw/zinc/45/87/69/804458769.db2.gz ATRPVUCWUUYRMP-LBPRGKRZSA-N 2 1 296.867 3.116 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246632050 804462316 /nfs/dbraw/zinc/46/23/16/804462316.db2.gz UEAXIDDMZDIGHJ-MJGOQNOKSA-N 2 1 286.463 3.392 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246632578 804462382 /nfs/dbraw/zinc/46/23/82/804462382.db2.gz XRKAPDJBJWUEGK-AEFFLSMTSA-N 2 1 272.436 3.002 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246632861 804462640 /nfs/dbraw/zinc/46/26/40/804462640.db2.gz XJQCYIXSJYMBRY-GOEBONIOSA-N 2 1 250.430 3.031 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632203 804462736 /nfs/dbraw/zinc/46/27/36/804462736.db2.gz UYLGOAUAKZLBHY-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246633161 804463995 /nfs/dbraw/zinc/46/39/95/804463995.db2.gz DXKMTZDMBUETIS-WJFTUGDTSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246633161 804463996 /nfs/dbraw/zinc/46/39/96/804463996.db2.gz DXKMTZDMBUETIS-WJFTUGDTSA-N 2 1 284.447 3.397 20 0 CGADMP CCCCCC[C@H](CCCC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246634238 804464164 /nfs/dbraw/zinc/46/41/64/804464164.db2.gz AXEAIOXCRRZVKS-SQNIBIBYSA-N 2 1 296.499 3.029 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634036 804464218 /nfs/dbraw/zinc/46/42/18/804464218.db2.gz GUBOJCTVXRJUHH-MSOLQXFVSA-N 2 1 296.499 3.437 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634041 804464286 /nfs/dbraw/zinc/46/42/86/804464286.db2.gz GUBOJCTVXRJUHH-ZWKOTPCHSA-N 2 1 296.499 3.437 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([NH+]3CCC4(CC4)CC3)CC[NH2+]2)cc1 ZINC001246640012 804467042 /nfs/dbraw/zinc/46/70/42/804467042.db2.gz AIJWJZPYPGGMEM-QZTJIDSGSA-N 2 1 284.447 3.226 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246639539 804467092 /nfs/dbraw/zinc/46/70/92/804467092.db2.gz PAVYGQFYXJECBM-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001246642073 804469160 /nfs/dbraw/zinc/46/91/60/804469160.db2.gz AYHGXRXIWDFTSA-MRXNPFEDSA-N 2 1 286.463 3.398 20 0 CGADMP c1ccc2c(c1)CCC21CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC001246643918 804470083 /nfs/dbraw/zinc/47/00/83/804470083.db2.gz HYNULWDKCUTFCW-KRWDZBQOSA-N 2 1 284.447 3.109 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)C[C@@H]21 ZINC001246643460 804470335 /nfs/dbraw/zinc/47/03/35/804470335.db2.gz HCYZMNQRJXXCBP-NXOAAHMSSA-N 2 1 276.468 3.275 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246644632 804472443 /nfs/dbraw/zinc/47/24/43/804472443.db2.gz RQFIGOUERITJIA-VYDXJSESSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246650261 804478968 /nfs/dbraw/zinc/47/89/68/804478968.db2.gz SHEDVBAKNQTFLE-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246658480 804482139 /nfs/dbraw/zinc/48/21/39/804482139.db2.gz UIBSEVWXZBJVJD-YLFCFFPRSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246658480 804482141 /nfs/dbraw/zinc/48/21/41/804482141.db2.gz UIBSEVWXZBJVJD-YLFCFFPRSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246656957 804482437 /nfs/dbraw/zinc/48/24/37/804482437.db2.gz PMQPNNZBGPGAKQ-JONQDZQNSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246656957 804482443 /nfs/dbraw/zinc/48/24/43/804482443.db2.gz PMQPNNZBGPGAKQ-JONQDZQNSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246664905 804486604 /nfs/dbraw/zinc/48/66/04/804486604.db2.gz YNRABVBVANMBQN-KSZLIROESA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246665393 804487039 /nfs/dbraw/zinc/48/70/39/804487039.db2.gz ZORFKVIDUITSPB-GUDVDZBRSA-N 2 1 286.463 3.328 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246675893 804490367 /nfs/dbraw/zinc/49/03/67/804490367.db2.gz YVJKZBVXSAVLCU-RYQLBKOJSA-N 2 1 272.436 3.038 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246675902 804490380 /nfs/dbraw/zinc/49/03/80/804490380.db2.gz BIDYRABJOGMZDH-KFKAGJAMSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246676037 804490768 /nfs/dbraw/zinc/49/07/68/804490768.db2.gz RZFJRQYQMAMJEU-KFKAGJAMSA-N 2 1 284.447 3.397 20 0 CGADMP CC1CCC([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246676953 804491448 /nfs/dbraw/zinc/49/14/48/804491448.db2.gz FGGPDFFMYRCCEQ-JCCCHCCOSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677554 804491550 /nfs/dbraw/zinc/49/15/50/804491550.db2.gz JALJSHZIFBSEDP-WNRNVDISSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677555 804491714 /nfs/dbraw/zinc/49/17/14/804491714.db2.gz JALJSHZIFBSEDP-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP CC1CCC([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246676951 804491980 /nfs/dbraw/zinc/49/19/80/804491980.db2.gz FGGPDFFMYRCCEQ-GMRIPVOYSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]1CC[C@H]([N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C1 ZINC001246678741 804493027 /nfs/dbraw/zinc/49/30/27/804493027.db2.gz YMTGMEACUVDQHI-GDAAHCPNSA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246689306 804497049 /nfs/dbraw/zinc/49/70/49/804497049.db2.gz IKUVAGMUBTUWQL-YHUYYLMFSA-N 2 1 284.463 3.456 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246699174 804499688 /nfs/dbraw/zinc/49/96/88/804499688.db2.gz ZJXYWSPROOMCSX-KZNAEPCWSA-N 2 1 290.426 3.031 20 0 CGADMP COc1ccccc1C[N@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246770230 804502962 /nfs/dbraw/zinc/50/29/62/804502962.db2.gz NSJZXAHKWJSXFJ-NVXWUHKLSA-N 2 1 290.451 3.294 20 0 CGADMP COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246770230 804502965 /nfs/dbraw/zinc/50/29/65/804502965.db2.gz NSJZXAHKWJSXFJ-NVXWUHKLSA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC001246773527 804504060 /nfs/dbraw/zinc/50/40/60/804504060.db2.gz AGTCSBQRUGSFEO-QZTJIDSGSA-N 2 1 274.452 3.328 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246782759 804510501 /nfs/dbraw/zinc/51/05/01/804510501.db2.gz URDHQRQSRIQNPE-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246782759 804510506 /nfs/dbraw/zinc/51/05/06/804510506.db2.gz URDHQRQSRIQNPE-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP CC(C)[N@@H+](CC1CC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246791672 804515174 /nfs/dbraw/zinc/51/51/74/804515174.db2.gz RGYOXYOXMKQPQQ-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246794070 804517366 /nfs/dbraw/zinc/51/73/66/804517366.db2.gz YNFFTLWXVCVYBR-SJORKVTESA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246793303 804517571 /nfs/dbraw/zinc/51/75/71/804517571.db2.gz UTHLAUWJWSTREX-RTBURBONSA-N 2 1 298.474 3.473 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001246793205 804518199 /nfs/dbraw/zinc/51/81/99/804518199.db2.gz UAXHGKBQGQFUIK-AOCRQIFASA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246799205 804519981 /nfs/dbraw/zinc/51/99/81/804519981.db2.gz WNGYGJVECIIPJG-IAGOWNOFSA-N 2 1 260.425 3.069 20 0 CGADMP FC(F)(F)[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803576 804524757 /nfs/dbraw/zinc/52/47/57/804524757.db2.gz RUUVSMFMNLHZDX-LLVKDONJSA-N 2 1 283.297 3.337 20 0 CGADMP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803576 804524759 /nfs/dbraw/zinc/52/47/59/804524759.db2.gz RUUVSMFMNLHZDX-LLVKDONJSA-N 2 1 283.297 3.337 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246814964 804531870 /nfs/dbraw/zinc/53/18/70/804531870.db2.gz AYMCFJPGQJQBCM-RCCFBDPRSA-N 2 1 272.436 3.253 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246820022 804534812 /nfs/dbraw/zinc/53/48/12/804534812.db2.gz DTODNBYJFVCWDI-ZWKOTPCHSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001246823256 804537462 /nfs/dbraw/zinc/53/74/62/804537462.db2.gz NHZITYDLERCRBA-YPMHNXCESA-N 2 1 286.341 3.278 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001246823256 804537467 /nfs/dbraw/zinc/53/74/67/804537467.db2.gz NHZITYDLERCRBA-YPMHNXCESA-N 2 1 286.341 3.278 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2[C@H](C)CC[NH2+]C)cc1 ZINC001246824078 804537637 /nfs/dbraw/zinc/53/76/37/804537637.db2.gz PIBUGZHQKIGJKN-RHSMWYFYSA-N 2 1 276.424 3.220 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827898 804539134 /nfs/dbraw/zinc/53/91/34/804539134.db2.gz TVVKBUJXGMSBKI-IAGOWNOFSA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827898 804539138 /nfs/dbraw/zinc/53/91/38/804539138.db2.gz TVVKBUJXGMSBKI-IAGOWNOFSA-N 2 1 290.426 3.351 20 0 CGADMP COCCC[N@@H+]([C@H](C)CCCC(C)C)C1CC[NH2+]CC1 ZINC001246834820 804542220 /nfs/dbraw/zinc/54/22/20/804542220.db2.gz HCVWSACMALUORZ-MRXNPFEDSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246836368 804545058 /nfs/dbraw/zinc/54/50/58/804545058.db2.gz XUJHBOXRRYDMRR-OIISXLGYSA-N 2 1 276.399 3.146 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246840117 804548610 /nfs/dbraw/zinc/54/86/10/804548610.db2.gz FEWMIEGHEANRMB-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246843459 804552187 /nfs/dbraw/zinc/55/21/87/804552187.db2.gz CNGHZILZQALUPN-IAGOWNOFSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H]1CCCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246844982 804554923 /nfs/dbraw/zinc/55/49/23/804554923.db2.gz JVYSZHFRARTTPG-FHERZECASA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC2(C)C)C[C@H](CC)[NH2+]1 ZINC001246847313 804556890 /nfs/dbraw/zinc/55/68/90/804556890.db2.gz SWXHINZKHSQRTG-APIJFGDWSA-N 2 1 252.446 3.274 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246849085 804560098 /nfs/dbraw/zinc/56/00/98/804560098.db2.gz YYLQDMJJGQGNGN-INDMIFKZSA-N 2 1 284.447 3.254 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001246850581 804560379 /nfs/dbraw/zinc/56/03/79/804560379.db2.gz CFIQMXWBFKVMAJ-VYDXJSESSA-N 2 1 262.441 3.303 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001246861806 804566341 /nfs/dbraw/zinc/56/63/41/804566341.db2.gz DZCBRVCGCOELFK-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246863728 804568098 /nfs/dbraw/zinc/56/80/98/804568098.db2.gz YYIGANIJETZBRR-VYDXJSESSA-N 2 1 298.434 3.047 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246866517 804569071 /nfs/dbraw/zinc/56/90/71/804569071.db2.gz KQUMQXVRZGOPDW-FHWLQOOXSA-N 2 1 286.463 3.328 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246869898 804571309 /nfs/dbraw/zinc/57/13/09/804571309.db2.gz XHBUVVHJWNJUBC-QRTARXTBSA-N 2 1 258.409 3.136 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCc3cc(F)ccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246877292 804574996 /nfs/dbraw/zinc/57/49/96/804574996.db2.gz BLJFWZWIOKVOGU-IAGOWNOFSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCc3cc(F)ccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246877292 804574999 /nfs/dbraw/zinc/57/49/99/804574999.db2.gz BLJFWZWIOKVOGU-IAGOWNOFSA-N 2 1 290.426 3.493 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246896259 804586163 /nfs/dbraw/zinc/58/61/63/804586163.db2.gz WBZZZMKMTGQVLV-RDTXWAMCSA-N 2 1 268.404 3.412 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CC[NH2+]1 ZINC001246898460 804587133 /nfs/dbraw/zinc/58/71/33/804587133.db2.gz YNXCIEGKZCWDFC-GOEBONIOSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH2+]1 ZINC001246901354 804588211 /nfs/dbraw/zinc/58/82/11/804588211.db2.gz MNDHCVIKQISGAR-GLJUWKHASA-N 2 1 283.419 3.445 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141106371 804590738 /nfs/dbraw/zinc/59/07/38/804590738.db2.gz YXDGMQCSCRVXNR-IRXDYDNUSA-N 2 1 286.463 3.368 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2ccc(C)cc2)CC[NH2+]1 ZINC001246906270 804591361 /nfs/dbraw/zinc/59/13/61/804591361.db2.gz DLWXMBPPLXTLJG-IRXDYDNUSA-N 2 1 260.425 3.348 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246908017 804591488 /nfs/dbraw/zinc/59/14/88/804591488.db2.gz KQRDXHPSFRWECL-KRWDZBQOSA-N 2 1 272.436 3.492 20 0 CGADMP c1ccc(C[C@H]2C[C@@H]([N@@H+](CC3CC3)C3CC3)CC[NH2+]2)cc1 ZINC001246915784 804598883 /nfs/dbraw/zinc/59/88/83/804598883.db2.gz YXECUWOFZVWLMZ-HKUYNNGSSA-N 2 1 284.447 3.224 20 0 CGADMP C[C@H](Cc1ccco1)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246919872 804600780 /nfs/dbraw/zinc/60/07/80/804600780.db2.gz HQMDQBFXOMDKPY-SJLPKXTDSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@H](Cc1ccco1)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246919872 804600784 /nfs/dbraw/zinc/60/07/84/804600784.db2.gz HQMDQBFXOMDKPY-SJLPKXTDSA-N 2 1 298.430 3.465 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC001246922576 804602756 /nfs/dbraw/zinc/60/27/56/804602756.db2.gz ULRIIGSRJDEMCR-FAEJEUNOSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@H]1CC([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC001246921289 804602817 /nfs/dbraw/zinc/60/28/17/804602817.db2.gz PKAMHYHGNYZYPZ-BYNSBNAKSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1CC([N@H+]2CC[C@H]3CCCC[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC001246921289 804602818 /nfs/dbraw/zinc/60/28/18/804602818.db2.gz PKAMHYHGNYZYPZ-BYNSBNAKSA-N 2 1 250.430 3.028 20 0 CGADMP CCCC1CCC([N@H+](CCOC)[C@H]2CCC[NH2+]C2)CC1 ZINC001246927158 804604064 /nfs/dbraw/zinc/60/40/64/804604064.db2.gz GPANDDKITYNVQZ-JCYILVPMSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC1CCC([N@@H+](CCOC)[C@H]2CCC[NH2+]C2)CC1 ZINC001246927158 804604065 /nfs/dbraw/zinc/60/40/65/804604065.db2.gz GPANDDKITYNVQZ-JCYILVPMSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246928760 804605649 /nfs/dbraw/zinc/60/56/49/804605649.db2.gz BYWVNEBNDLBEEY-CWRNSKLLSA-N 2 1 292.854 3.202 20 0 CGADMP COCC[N@H+]([C@H](C)C[C@@H](C)CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246929472 804605724 /nfs/dbraw/zinc/60/57/24/804605724.db2.gz OWGKCNPVEZYXHR-GVDBMIGSSA-N 2 1 284.488 3.148 20 0 CGADMP COCC[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246929472 804605728 /nfs/dbraw/zinc/60/57/28/804605728.db2.gz OWGKCNPVEZYXHR-GVDBMIGSSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@H](C)[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246933400 804607674 /nfs/dbraw/zinc/60/76/74/804607674.db2.gz IMWGFUZWKGNJOO-ZDUSSCGKSA-N 2 1 264.388 3.178 20 0 CGADMP CC[C@H](C)[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246933400 804607677 /nfs/dbraw/zinc/60/76/77/804607677.db2.gz IMWGFUZWKGNJOO-ZDUSSCGKSA-N 2 1 264.388 3.178 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935419 804608518 /nfs/dbraw/zinc/60/85/18/804608518.db2.gz VEXMLWITGFFJHT-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937698 804608955 /nfs/dbraw/zinc/60/89/55/804608955.db2.gz ZZMSBCOXKDOYJP-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CCSC[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246940338 804610717 /nfs/dbraw/zinc/61/07/17/804610717.db2.gz WIYOHRXXFFDCSA-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)C1CCC(CC)CC1 ZINC001246948549 804615374 /nfs/dbraw/zinc/61/53/74/804615374.db2.gz CFXNGAABUKRBRZ-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246971442 804622029 /nfs/dbraw/zinc/62/20/29/804622029.db2.gz BJBVPSRGUYRORY-UVPYHEFZSA-N 2 1 252.446 3.116 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246970397 804622193 /nfs/dbraw/zinc/62/21/93/804622193.db2.gz YRHWRPALZKZJCH-WFASDCNBSA-N 2 1 298.883 3.491 20 0 CGADMP CC1CCC([N@@H+](C2CCC2)C2CC[NH2+]CC2)CC1 ZINC001246978738 804625468 /nfs/dbraw/zinc/62/54/68/804625468.db2.gz VRQXHKDSWQCVLY-UHFFFAOYSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC001246977998 804626337 /nfs/dbraw/zinc/62/63/37/804626337.db2.gz GTQXCROGIQCHIM-WDSOQIARSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001246991076 804632080 /nfs/dbraw/zinc/63/20/80/804632080.db2.gz KTWKLXCPKDYQJR-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001247001160 804633898 /nfs/dbraw/zinc/63/38/98/804633898.db2.gz JLTNUFZOEKICFP-AEFFLSMTSA-N 2 1 274.452 3.377 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247005162 804637310 /nfs/dbraw/zinc/63/73/10/804637310.db2.gz VBGGZDFYMZQCBO-XJKSGUPXSA-N 2 1 280.843 3.332 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014814 804643180 /nfs/dbraw/zinc/64/31/80/804643180.db2.gz LKNQAZQYIYGDNE-MYBQVCMBSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014814 804643177 /nfs/dbraw/zinc/64/31/77/804643177.db2.gz LKNQAZQYIYGDNE-MYBQVCMBSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(SC)s3)C[C@H]2C1 ZINC001142031171 804689878 /nfs/dbraw/zinc/68/98/78/804689878.db2.gz BQNFLERLBRDGLO-BETUJISGSA-N 2 1 296.505 3.244 20 0 CGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cccc3ccccc32)no1 ZINC001247697691 804798335 /nfs/dbraw/zinc/79/83/35/804798335.db2.gz HXGGDGBNBJZNEJ-OAHLLOKOSA-N 2 1 296.374 3.019 20 0 CGADMP COc1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001144488187 804994823 /nfs/dbraw/zinc/99/48/23/804994823.db2.gz VWZXLKGZNBSVNH-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP CC[NH+](CC)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717066 805038666 /nfs/dbraw/zinc/03/86/66/805038666.db2.gz YTNZZWWNQPZWLO-UHFFFAOYSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(C(C)(C)C)c[nH]3)C2)CC1 ZINC001249479406 805158116 /nfs/dbraw/zinc/15/81/16/805158116.db2.gz BLCXOZDQVVIFJX-UHFFFAOYSA-N 2 1 289.467 3.230 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1cc(F)cc2cc[nH]c21 ZINC001249525800 805167374 /nfs/dbraw/zinc/16/73/74/805167374.db2.gz COIJGPPVONBTOU-UHFFFAOYSA-N 2 1 286.354 3.026 20 0 CGADMP c1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)[nH+]c2c1CCCC2 ZINC001165319689 806992481 /nfs/dbraw/zinc/99/24/81/806992481.db2.gz KGCFVCMMAXNORZ-GOSISDBHSA-N 2 1 299.462 3.319 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC001256861231 806992830 /nfs/dbraw/zinc/99/28/30/806992830.db2.gz TVPLVODVESPZFY-CABCVRRESA-N 2 1 273.424 3.171 20 0 CGADMP c1cc(C2CC2)cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)[nH+]1 ZINC001165322248 806993554 /nfs/dbraw/zinc/99/35/54/806993554.db2.gz ALZAJGSWGKXIFT-QGZVFWFLSA-N 2 1 285.435 3.318 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001257221880 807065340 /nfs/dbraw/zinc/06/53/40/807065340.db2.gz IZCMXWMFAPIRQD-INIZCTEOSA-N 2 1 290.426 3.488 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001257470175 807172559 /nfs/dbraw/zinc/17/25/59/807172559.db2.gz GAIBQQBMZBSTPB-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001257486074 807180582 /nfs/dbraw/zinc/18/05/82/807180582.db2.gz SKGJBEJRBSJTDN-MWDXBVQZSA-N 2 1 266.473 3.475 20 0 CGADMP CN1CCC([N@@H+](C2CCCC2)[C@H]2CCCSC2)CC1 ZINC001257681877 807213755 /nfs/dbraw/zinc/21/37/55/807213755.db2.gz CQHKYAFVUNZCOW-INIZCTEOSA-N 2 1 282.497 3.221 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001258014780 807267618 /nfs/dbraw/zinc/26/76/18/807267618.db2.gz STGAQRIAXQANNI-CYBMUJFWSA-N 2 1 292.389 3.381 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001258014780 807267627 /nfs/dbraw/zinc/26/76/27/807267627.db2.gz STGAQRIAXQANNI-CYBMUJFWSA-N 2 1 292.389 3.381 20 0 CGADMP [NH2+]=C(Nc1cc(F)c2ccccc2c1)SCC[NH3+] ZINC001167913308 807272377 /nfs/dbraw/zinc/27/23/77/807272377.db2.gz WRIBWTOAKQJBQT-UHFFFAOYSA-N 2 1 263.341 3.017 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167924038 807275408 /nfs/dbraw/zinc/27/54/08/807275408.db2.gz MZQXJEZQZHNUCN-GYFISPQKSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167924038 807275412 /nfs/dbraw/zinc/27/54/12/807275412.db2.gz MZQXJEZQZHNUCN-GYFISPQKSA-N 2 1 284.447 3.285 20 0 CGADMP Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959460 807286062 /nfs/dbraw/zinc/28/60/62/807286062.db2.gz PXEAJCRHFQQRHZ-YQQQUEKLSA-N 2 1 284.447 3.490 20 0 CGADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cs1 ZINC001167958944 807286319 /nfs/dbraw/zinc/28/63/19/807286319.db2.gz KLFDWLGIZZXSIM-MQVJKMGUSA-N 2 1 276.449 3.243 20 0 CGADMP c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167958710 807286898 /nfs/dbraw/zinc/28/68/98/807286898.db2.gz JDZWSDVCQRBMIV-YQQQUEKLSA-N 2 1 284.447 3.224 20 0 CGADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccncc1 ZINC001167972834 807290496 /nfs/dbraw/zinc/29/04/96/807290496.db2.gz CMNPGLOMRVUWHW-AYHJJNSGSA-N 2 1 299.462 3.312 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001167983300 807290886 /nfs/dbraw/zinc/29/08/86/807290886.db2.gz FIBWRARZLURHFP-FVGDGBDSSA-N 2 1 274.452 3.124 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001167983300 807290893 /nfs/dbraw/zinc/29/08/93/807290893.db2.gz FIBWRARZLURHFP-FVGDGBDSSA-N 2 1 274.452 3.124 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168101393 807311891 /nfs/dbraw/zinc/31/18/91/807311891.db2.gz LEQKQNSLSSOYNO-VDHUWJSZSA-N 2 1 294.483 3.316 20 0 CGADMP CC1(C)[C@@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC001258147582 807319350 /nfs/dbraw/zinc/31/93/50/807319350.db2.gz ODFXUNSUZQMQIJ-KDURUIRLSA-N 2 1 298.474 3.281 20 0 CGADMP CC1(C)[C@@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC001258147582 807319364 /nfs/dbraw/zinc/31/93/64/807319364.db2.gz ODFXUNSUZQMQIJ-KDURUIRLSA-N 2 1 298.474 3.281 20 0 CGADMP CC[C@@H](C)[N@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144347 807319390 /nfs/dbraw/zinc/31/93/90/807319390.db2.gz SSSLFYGUVXHPDZ-MRXNPFEDSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@@H](C)[N@@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144347 807319398 /nfs/dbraw/zinc/31/93/98/807319398.db2.gz SSSLFYGUVXHPDZ-MRXNPFEDSA-N 2 1 274.452 3.424 20 0 CGADMP CC(C)([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC001258132541 807319773 /nfs/dbraw/zinc/31/97/73/807319773.db2.gz YHAASPKMCYSODS-UHFFFAOYSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccc(Cl)cc1 ZINC001168152474 807326842 /nfs/dbraw/zinc/32/68/42/807326842.db2.gz VCNCYOOKMPMJEQ-LLVKDONJSA-N 2 1 277.799 3.150 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@@H](C)C1 ZINC001258166724 807332342 /nfs/dbraw/zinc/33/23/42/807332342.db2.gz YXDUISLDWZDQSQ-QLPKVWCKSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258181220 807344802 /nfs/dbraw/zinc/34/48/02/807344802.db2.gz KOYLHZZVNYOUHX-HUUCEWRRSA-N 2 1 276.424 3.207 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258181220 807344809 /nfs/dbraw/zinc/34/48/09/807344809.db2.gz KOYLHZZVNYOUHX-HUUCEWRRSA-N 2 1 276.424 3.207 20 0 CGADMP CSCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258210016 807365956 /nfs/dbraw/zinc/36/59/56/807365956.db2.gz YNGZDIFQRUOICU-MGPQQGTHSA-N 2 1 258.475 3.108 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC001168313364 807378079 /nfs/dbraw/zinc/37/80/79/807378079.db2.gz ALEWKJMNUDAJSX-AOCRQIFASA-N 2 1 272.436 3.349 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001168323773 807383560 /nfs/dbraw/zinc/38/35/60/807383560.db2.gz CHNFTXJLLQLYIT-LMDPOFIKSA-N 2 1 286.463 3.424 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001258321153 807408504 /nfs/dbraw/zinc/40/85/04/807408504.db2.gz HWJRUUYBZVGRDH-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258350247 807423737 /nfs/dbraw/zinc/42/37/37/807423737.db2.gz ZHZXWTULKXFJGO-CYBMUJFWSA-N 2 1 270.486 3.077 20 0 CGADMP COc1ccc(CC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C)cc1 ZINC001258389477 807437020 /nfs/dbraw/zinc/43/70/20/807437020.db2.gz PQXPQVPEFKPHNG-OAHLLOKOSA-N 2 1 278.440 3.076 20 0 CGADMP CCCCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258433696 807448413 /nfs/dbraw/zinc/44/84/13/807448413.db2.gz HPDUTICRWRWLOT-QZTJIDSGSA-N 2 1 296.499 3.436 20 0 CGADMP CCCCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258433696 807448417 /nfs/dbraw/zinc/44/84/17/807448417.db2.gz HPDUTICRWRWLOT-QZTJIDSGSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001258466452 807467081 /nfs/dbraw/zinc/46/70/81/807467081.db2.gz QLYBSWGCTOMCGV-LZQZEXGQSA-N 2 1 299.462 3.024 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168685988 807478997 /nfs/dbraw/zinc/47/89/97/807478997.db2.gz VAPMZDDEGBLQBE-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC001258604378 807501910 /nfs/dbraw/zinc/50/19/10/807501910.db2.gz BRQITTVVARYKBP-SJORKVTESA-N 2 1 294.483 3.140 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CCC[NH3+] ZINC001258649652 807522000 /nfs/dbraw/zinc/52/20/00/807522000.db2.gz NCAXDCYHACLXSR-QGZVFWFLSA-N 2 1 262.441 3.459 20 0 CGADMP CCC[C@H](Cc1ccccc1)n1c(C)c[nH+]c1CC[NH3+] ZINC001258650199 807522418 /nfs/dbraw/zinc/52/24/18/807522418.db2.gz XONQUPFHYHDAKZ-MRXNPFEDSA-N 2 1 271.408 3.277 20 0 CGADMP CCCCC[C@H](CCC)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258664246 807532535 /nfs/dbraw/zinc/53/25/35/807532535.db2.gz HVUVZNOPIPFCAY-KRWDZBQOSA-N 3 1 285.520 3.338 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258664246 807532539 /nfs/dbraw/zinc/53/25/39/807532539.db2.gz HVUVZNOPIPFCAY-KRWDZBQOSA-N 3 1 285.520 3.338 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258671806 807537681 /nfs/dbraw/zinc/53/76/81/807537681.db2.gz RIEQGMMSXOFQSP-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258671806 807537685 /nfs/dbraw/zinc/53/76/85/807537685.db2.gz RIEQGMMSXOFQSP-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCC[C@@H](CCC)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001258671806 807537688 /nfs/dbraw/zinc/53/76/88/807537688.db2.gz RIEQGMMSXOFQSP-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCC[C@@H](CCC)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001258671806 807537689 /nfs/dbraw/zinc/53/76/89/807537689.db2.gz RIEQGMMSXOFQSP-RCCFBDPRSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001258701869 807556312 /nfs/dbraw/zinc/55/63/12/807556312.db2.gz NSFZOILDLOKQSP-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC001169080367 807569671 /nfs/dbraw/zinc/56/96/71/807569671.db2.gz MWJQCKIWMWTBQQ-FJIDUMEYSA-N 2 1 270.420 3.353 20 0 CGADMP Cc1cccc2c(CC[NH3+])cn([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c21 ZINC001169089679 807570829 /nfs/dbraw/zinc/57/08/29/807570829.db2.gz FVLQOIMPCCRRRE-FVQHAEBGSA-N 2 1 297.446 3.249 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C(F)F)C2 ZINC001169096165 807573461 /nfs/dbraw/zinc/57/34/61/807573461.db2.gz VKODNOXFKHYEAW-BTTYYORXSA-N 2 1 280.362 3.339 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CCCCCC1)C2 ZINC001169100481 807575338 /nfs/dbraw/zinc/57/53/38/807575338.db2.gz JTTJNHLNUNWPCF-MUJYYYPQSA-N 2 1 250.430 3.172 20 0 CGADMP CCCOc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169099466 807576374 /nfs/dbraw/zinc/57/63/74/807576374.db2.gz SMVPBQPYSUUXAB-BJWYYQGGSA-N 2 1 288.435 3.190 20 0 CGADMP CCCOc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169099466 807576380 /nfs/dbraw/zinc/57/63/80/807576380.db2.gz SMVPBQPYSUUXAB-BJWYYQGGSA-N 2 1 288.435 3.190 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1cccc3F)C2 ZINC001169099567 807576572 /nfs/dbraw/zinc/57/65/72/807576572.db2.gz BRAOPIHEYBLQHR-JRATXPSKSA-N 2 1 274.383 3.028 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169108670 807578365 /nfs/dbraw/zinc/57/83/65/807578365.db2.gz UXSVYCHMRZAAFU-JYYAWHABSA-N 2 1 286.419 3.033 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169108670 807578369 /nfs/dbraw/zinc/57/83/69/807578369.db2.gz UXSVYCHMRZAAFU-JYYAWHABSA-N 2 1 286.419 3.033 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C)o1 ZINC001169108985 807579269 /nfs/dbraw/zinc/57/92/69/807579269.db2.gz XMLQEIZFWQIAQD-APIJFGDWSA-N 2 1 262.397 3.254 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)o1 ZINC001169108985 807579273 /nfs/dbraw/zinc/57/92/73/807579273.db2.gz XMLQEIZFWQIAQD-APIJFGDWSA-N 2 1 262.397 3.254 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001169114821 807580682 /nfs/dbraw/zinc/58/06/82/807580682.db2.gz YYFUKVSPROZYAA-XLMAVXFVSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001169114821 807580687 /nfs/dbraw/zinc/58/06/87/807580687.db2.gz YYFUKVSPROZYAA-XLMAVXFVSA-N 2 1 287.451 3.384 20 0 CGADMP Cc1cccc(C(C)(C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169116961 807581801 /nfs/dbraw/zinc/58/18/01/807581801.db2.gz UXGRFZGIHKCUNW-BJWYYQGGSA-N 2 1 272.436 3.445 20 0 CGADMP C[NH2+]Cc1ccc2c(ccn2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169126275 807585029 /nfs/dbraw/zinc/58/50/29/807585029.db2.gz RBCBPIBBNVVPEL-BJWYYQGGSA-N 2 1 283.419 3.158 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001169124812 807585161 /nfs/dbraw/zinc/58/51/61/807585161.db2.gz UGXTYTPDFVTONV-LUKYLMHMSA-N 2 1 290.838 3.022 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001169125405 807586038 /nfs/dbraw/zinc/58/60/38/807586038.db2.gz HSYWMASORLTTRP-QMCVQRASSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001169125405 807586042 /nfs/dbraw/zinc/58/60/42/807586042.db2.gz HSYWMASORLTTRP-QMCVQRASSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001169125405 807586044 /nfs/dbraw/zinc/58/60/44/807586044.db2.gz HSYWMASORLTTRP-QMCVQRASSA-N 2 1 270.420 3.231 20 0 CGADMP COc1c[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1C ZINC001169141708 807588332 /nfs/dbraw/zinc/58/83/32/807588332.db2.gz KHIJNLWLOMCJBW-GUYCJALGSA-N 2 1 291.439 3.354 20 0 CGADMP Cc1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001169138351 807588908 /nfs/dbraw/zinc/58/89/08/807588908.db2.gz PTDNCPIKSAGZEZ-CZUORRHYSA-N 2 1 261.413 3.346 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258751800 807592402 /nfs/dbraw/zinc/59/24/02/807592402.db2.gz WBEKEDZNYXHNGX-ZDUSSCGKSA-N 2 1 289.810 3.026 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258751800 807592408 /nfs/dbraw/zinc/59/24/08/807592408.db2.gz WBEKEDZNYXHNGX-ZDUSSCGKSA-N 2 1 289.810 3.026 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146115 807593422 /nfs/dbraw/zinc/59/34/22/807593422.db2.gz OSXSJOQZJYLDAV-BGTYHANMSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146115 807593428 /nfs/dbraw/zinc/59/34/28/807593428.db2.gz OSXSJOQZJYLDAV-BGTYHANMSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146115 807593431 /nfs/dbraw/zinc/59/34/31/807593431.db2.gz OSXSJOQZJYLDAV-BGTYHANMSA-N 2 1 288.410 3.240 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ncccc2C)CC1 ZINC001258764755 807601744 /nfs/dbraw/zinc/60/17/44/807601744.db2.gz CBZFFITVYQBAMF-INIZCTEOSA-N 2 1 275.440 3.305 20 0 CGADMP CCCN1CCC([NH2+][C@H]2CC[C@H]([NH+](CC)CC)CC2)CC1 ZINC001258771196 807604831 /nfs/dbraw/zinc/60/48/31/807604831.db2.gz XSOHRHHMRDNWCP-SAABIXHNSA-N 2 1 295.515 3.103 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001258771861 807605408 /nfs/dbraw/zinc/60/54/08/807605408.db2.gz YLJYPMDGMNLLNG-KRWDZBQOSA-N 2 1 273.424 3.093 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001258771861 807605412 /nfs/dbraw/zinc/60/54/12/807605412.db2.gz YLJYPMDGMNLLNG-KRWDZBQOSA-N 2 1 273.424 3.093 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C)[C@@H](C)C2)CC1 ZINC001258772353 807605478 /nfs/dbraw/zinc/60/54/78/807605478.db2.gz OHEUVJSBIDBSLA-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCc3c(C)cccc3C2)CC1 ZINC001258771779 807605572 /nfs/dbraw/zinc/60/55/72/807605572.db2.gz UKOQJLNEFBPAQK-UHFFFAOYSA-N 2 1 272.436 3.228 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCc3c(C)cccc3C2)CC1 ZINC001258771779 807605578 /nfs/dbraw/zinc/60/55/78/807605578.db2.gz UKOQJLNEFBPAQK-UHFFFAOYSA-N 2 1 272.436 3.228 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)c2cccc(F)c2)CC1 ZINC001169230115 807609810 /nfs/dbraw/zinc/60/98/10/807609810.db2.gz QVUBMGSWQLPNBL-UHFFFAOYSA-N 2 1 264.388 3.135 20 0 CGADMP CC[N@H+](Cc1ccc(OC)cc1)C1CC[NH+](CC)CC1 ZINC001169262327 807617837 /nfs/dbraw/zinc/61/78/37/807617837.db2.gz XQXOHAGZXWGTHE-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)C1CC[NH+](CC)CC1 ZINC001169262327 807617840 /nfs/dbraw/zinc/61/78/40/807617840.db2.gz XQXOHAGZXWGTHE-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258880666 807663697 /nfs/dbraw/zinc/66/36/97/807663697.db2.gz IDPSLGAJWIPWIG-XIRDDKMYSA-N 2 1 290.451 3.089 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170119408 807765208 /nfs/dbraw/zinc/76/52/08/807765208.db2.gz AELUDRZIFHZMSZ-AHCXZYCDSA-N 2 1 287.451 3.342 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001170138583 807772493 /nfs/dbraw/zinc/77/24/93/807772493.db2.gz QYVHQIROJUANGX-WCVJEAGWSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001170138583 807772495 /nfs/dbraw/zinc/77/24/95/807772495.db2.gz QYVHQIROJUANGX-WCVJEAGWSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001170138583 807772498 /nfs/dbraw/zinc/77/24/98/807772498.db2.gz QYVHQIROJUANGX-WCVJEAGWSA-N 2 1 290.476 3.300 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001170138583 807772502 /nfs/dbraw/zinc/77/25/02/807772502.db2.gz QYVHQIROJUANGX-WCVJEAGWSA-N 2 1 290.476 3.300 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192155 807790575 /nfs/dbraw/zinc/79/05/75/807790575.db2.gz JBVKEOVXHCFOBH-LUKYLMHMSA-N 2 1 282.472 3.172 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@@H+](CCC[NH3+])C3CCCCC3)C[C@@H]21 ZINC001170715354 807881818 /nfs/dbraw/zinc/88/18/18/807881818.db2.gz GSWQMRYLFBCELT-MUJYYYPQSA-N 2 1 264.457 3.405 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2CCCOCC2)CC1 ZINC001170800599 807909893 /nfs/dbraw/zinc/90/98/93/807909893.db2.gz FTYSGSFAQVNBER-KZNAEPCWSA-N 2 1 294.483 3.318 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171097313 807983268 /nfs/dbraw/zinc/98/32/68/807983268.db2.gz XXTSQACVSMLBHN-IAGOWNOFSA-N 2 1 292.854 3.271 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171381869 808041472 /nfs/dbraw/zinc/04/14/72/808041472.db2.gz HLSHHJFAQHBWOK-OAHLLOKOSA-N 2 1 296.405 3.096 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+](CC[NH3+])Cc1ccccc1)C2 ZINC001171549634 808091683 /nfs/dbraw/zinc/09/16/83/808091683.db2.gz NTUXKCUNRLBGKL-IBGZPJMESA-N 2 1 294.442 3.313 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+](CC[NH3+])Cc1ccccc1)C2 ZINC001171549634 808091689 /nfs/dbraw/zinc/09/16/89/808091689.db2.gz NTUXKCUNRLBGKL-IBGZPJMESA-N 2 1 294.442 3.313 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001171579042 808103779 /nfs/dbraw/zinc/10/37/79/808103779.db2.gz NHQOICXISDIAJT-GOSISDBHSA-N 2 1 284.447 3.022 20 0 CGADMP CCCC[N@@H+](C)CCCNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619082 808106051 /nfs/dbraw/zinc/10/60/51/808106051.db2.gz HDWGVSSUBVXFFV-UHFFFAOYSA-N 2 1 297.531 3.349 20 0 CGADMP CCCC[N@H+](C)CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619082 808106058 /nfs/dbraw/zinc/10/60/58/808106058.db2.gz HDWGVSSUBVXFFV-UHFFFAOYSA-N 3 1 297.531 3.349 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619082 808106067 /nfs/dbraw/zinc/10/60/67/808106067.db2.gz HDWGVSSUBVXFFV-UHFFFAOYSA-N 3 1 297.531 3.349 20 0 CGADMP C[N@@H+](CCc1ccccn1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628894 808107896 /nfs/dbraw/zinc/10/78/96/808107896.db2.gz LQDUNWJRYMDWAO-UHFFFAOYSA-N 2 1 289.467 3.207 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]CC2(F)CCC2)CC1(C)C ZINC001171627306 808108375 /nfs/dbraw/zinc/10/83/75/808108375.db2.gz OOFKNWTUCJELCD-UHFFFAOYSA-N 2 1 256.409 3.120 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001171673814 808120358 /nfs/dbraw/zinc/12/03/58/808120358.db2.gz YSIFGUNGTVWCCZ-UHOSZYNNSA-N 2 1 286.463 3.200 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001171673814 808120363 /nfs/dbraw/zinc/12/03/63/808120363.db2.gz YSIFGUNGTVWCCZ-UHOSZYNNSA-N 2 1 286.463 3.200 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001171673814 808120368 /nfs/dbraw/zinc/12/03/68/808120368.db2.gz YSIFGUNGTVWCCZ-UHOSZYNNSA-N 2 1 286.463 3.200 20 0 CGADMP C[C@H]1C[C@H](Nc2cccc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171724867 808125722 /nfs/dbraw/zinc/12/57/22/808125722.db2.gz DGBSPJOZYPMQRI-KXBFYZLASA-N 2 1 295.430 3.220 20 0 CGADMP [NH3+]CCC[N@@H+]([C@@H]1Cc2cccc(F)c2C1)C1CCCCC1 ZINC001171772896 808134732 /nfs/dbraw/zinc/13/47/32/808134732.db2.gz FXVILDAMCCJSLX-MRXNPFEDSA-N 2 1 290.426 3.276 20 0 CGADMP CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962465 808160325 /nfs/dbraw/zinc/16/03/25/808160325.db2.gz DJOAGTSVAFULPY-QGZVFWFLSA-N 2 1 290.451 3.056 20 0 CGADMP CC1(C)C[C@H]([NH2+]C2CSC2)CC[N@H+]1Cc1ccccc1 ZINC001171972905 808163332 /nfs/dbraw/zinc/16/33/32/808163332.db2.gz UEYAXLYLQDDYLC-OAHLLOKOSA-N 2 1 290.476 3.135 20 0 CGADMP CC1(C)C[C@@H]([NH+]2CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171974920 808163648 /nfs/dbraw/zinc/16/36/48/808163648.db2.gz BAFCVCDNOAIUHK-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP CC1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977654 808164040 /nfs/dbraw/zinc/16/40/40/808164040.db2.gz TWEDKNAYWOCGTJ-KRWDZBQOSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]([NH3+])c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098675 808170158 /nfs/dbraw/zinc/17/01/58/808170158.db2.gz GMOQZPJBHOAGRT-KBXIAJHMSA-N 2 1 298.434 3.244 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104180 808174050 /nfs/dbraw/zinc/17/40/50/808174050.db2.gz ANFHVSZXCXJUIT-BJWYYQGGSA-N 2 1 272.436 3.408 20 0 CGADMP C[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001172104709 808174911 /nfs/dbraw/zinc/17/49/11/808174911.db2.gz CKVRVVREJLKEOW-MXASKKJJSA-N 2 1 288.435 3.101 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106892 808175978 /nfs/dbraw/zinc/17/59/78/808175978.db2.gz QTRKXCLGKPIQEY-FPCVCCKLSA-N 2 1 273.424 3.056 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001172108734 808176838 /nfs/dbraw/zinc/17/68/38/808176838.db2.gz DOHAROQQLLVYGE-ZMMAXQRCSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1c(F)cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172106022 808177023 /nfs/dbraw/zinc/17/70/23/808177023.db2.gz MKODUBBWRGGUFL-PHZGNYQRSA-N 2 1 276.399 3.239 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(F)cc31)C2 ZINC001172106506 808177331 /nfs/dbraw/zinc/17/73/31/808177331.db2.gz PTKQLDJRQGMUCL-CUSZFKRNSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(F)cc31)C2 ZINC001172106506 808177333 /nfs/dbraw/zinc/17/73/33/808177333.db2.gz PTKQLDJRQGMUCL-CUSZFKRNSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C1)C2 ZINC001172110585 808178823 /nfs/dbraw/zinc/17/88/23/808178823.db2.gz KSXBBHOVBQWTSZ-LVQVYYBASA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC1CC1)C2 ZINC001172112319 808178840 /nfs/dbraw/zinc/17/88/40/808178840.db2.gz USRZVTHEKPFSKL-QDMKHBRRSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC1CC1)C2 ZINC001172112319 808178845 /nfs/dbraw/zinc/17/88/45/808178845.db2.gz USRZVTHEKPFSKL-QDMKHBRRSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC13CCCCC3)C2 ZINC001172117551 808181248 /nfs/dbraw/zinc/18/12/48/808181248.db2.gz MGNLMIRHDJPDEA-JONQDZQNSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC13CCCCC3)C2 ZINC001172117551 808181250 /nfs/dbraw/zinc/18/12/50/808181250.db2.gz MGNLMIRHDJPDEA-JONQDZQNSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCCCCC1)C2 ZINC001172120956 808183807 /nfs/dbraw/zinc/18/38/07/808183807.db2.gz AKMRUOUZDOQLNG-ZSHCYNCHSA-N 2 1 250.430 3.268 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCCCCC1)C2 ZINC001172120956 808183808 /nfs/dbraw/zinc/18/38/08/808183808.db2.gz AKMRUOUZDOQLNG-ZSHCYNCHSA-N 2 1 250.430 3.268 20 0 CGADMP C[C@@H]1CCCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123286 808187063 /nfs/dbraw/zinc/18/70/63/808187063.db2.gz ZFHOVKQDOOCRHG-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123286 808187065 /nfs/dbraw/zinc/18/70/65/808187065.db2.gz ZFHOVKQDOOCRHG-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CCCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123286 808187069 /nfs/dbraw/zinc/18/70/69/808187069.db2.gz ZFHOVKQDOOCRHG-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CCCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123286 808187074 /nfs/dbraw/zinc/18/70/74/808187074.db2.gz ZFHOVKQDOOCRHG-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CSc2ccccc2C1 ZINC001172203654 808197409 /nfs/dbraw/zinc/19/74/09/808197409.db2.gz USYIOLJYPHVNFV-MRXNPFEDSA-N 2 1 290.476 3.121 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CSc2ccccc2C1 ZINC001172203654 808197412 /nfs/dbraw/zinc/19/74/12/808197412.db2.gz USYIOLJYPHVNFV-MRXNPFEDSA-N 2 1 290.476 3.121 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001172374829 808269281 /nfs/dbraw/zinc/26/92/81/808269281.db2.gz RRNBCMGLJLNLHF-IJEWVQPXSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](CC(C)C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172392641 808283992 /nfs/dbraw/zinc/28/39/92/808283992.db2.gz GGGCJSKLTPWPNO-OAHLLOKOSA-N 3 1 285.520 3.286 20 0 CGADMP CC(C)COCC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172466457 808335843 /nfs/dbraw/zinc/33/58/43/808335843.db2.gz FFFFGRNDUUVBBF-ULQDDVLXSA-N 2 1 284.488 3.418 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001172468937 808337357 /nfs/dbraw/zinc/33/73/57/808337357.db2.gz RHBPWPJUTWSPJE-ULQDDVLXSA-N 2 1 284.488 3.146 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172717213 808416952 /nfs/dbraw/zinc/41/69/52/808416952.db2.gz FAKUYEHSJMLLQU-QGZVFWFLSA-N 2 1 292.854 3.225 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC2 ZINC001172825806 808447163 /nfs/dbraw/zinc/44/71/63/808447163.db2.gz JFHPDVYRDMKGQP-VQIMIIECSA-N 2 1 286.463 3.174 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1c(F)cccc1Cl ZINC001172837100 808452389 /nfs/dbraw/zinc/45/23/89/808452389.db2.gz KSYCXKLBIIXDTI-GFCCVEGCSA-N 2 1 286.822 3.471 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172875414 808473847 /nfs/dbraw/zinc/47/38/47/808473847.db2.gz OUIMWXQBNBBPRR-CHWSQXEVSA-N 2 1 298.883 3.362 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001173108310 808512281 /nfs/dbraw/zinc/51/22/81/808512281.db2.gz BFWVGCPTIYIRML-URGYJCLVSA-N 2 1 286.410 3.226 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2COC)CC1 ZINC001173110099 808513804 /nfs/dbraw/zinc/51/38/04/808513804.db2.gz OSKHMYGQZFOIJE-OFLPRAFFSA-N 2 1 282.472 3.140 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)cc1 ZINC001173245436 808553162 /nfs/dbraw/zinc/55/31/62/808553162.db2.gz HQOZNFLJAIXLLE-LZQZEXGQSA-N 2 1 286.463 3.064 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001173245436 808553168 /nfs/dbraw/zinc/55/31/68/808553168.db2.gz HQOZNFLJAIXLLE-LZQZEXGQSA-N 2 1 286.463 3.064 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001173245436 808553173 /nfs/dbraw/zinc/55/31/73/808553173.db2.gz HQOZNFLJAIXLLE-LZQZEXGQSA-N 2 1 286.463 3.064 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CC)C2)C1 ZINC001173275800 808579101 /nfs/dbraw/zinc/57/91/01/808579101.db2.gz UFSAFHHPAYGRAH-ZNMIVQPWSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CC)C2)C1 ZINC001173275800 808579106 /nfs/dbraw/zinc/57/91/06/808579106.db2.gz UFSAFHHPAYGRAH-ZNMIVQPWSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)C1 ZINC001173278725 808581501 /nfs/dbraw/zinc/58/15/01/808581501.db2.gz ZRFQNBBEFGXWIZ-LVQVYYBASA-N 2 1 252.446 3.274 20 0 CGADMP CCSC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001173292816 808592874 /nfs/dbraw/zinc/59/28/74/808592874.db2.gz RHFNJCZNQOFJDT-ZDUSSCGKSA-N 2 1 258.475 3.112 20 0 CGADMP CC[N@H+]1CC[C@H](n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001173366043 808631774 /nfs/dbraw/zinc/63/17/74/808631774.db2.gz VTWGJWRDTMOIQW-HOTGVXAUSA-N 2 1 283.419 3.333 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(F)cc1Cl ZINC001274952946 808893967 /nfs/dbraw/zinc/89/39/67/808893967.db2.gz KZFUEXAYUADLFS-GOOCMWNKSA-N 2 1 296.817 3.236 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(F)cc1Cl ZINC001274952946 808893974 /nfs/dbraw/zinc/89/39/74/808893974.db2.gz KZFUEXAYUADLFS-GOOCMWNKSA-N 2 1 296.817 3.236 20 0 CGADMP Cc1c(O)cccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275026869 808898630 /nfs/dbraw/zinc/89/86/30/808898630.db2.gz CBWSTNRIBVADAX-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1c(O)cccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275026869 808898640 /nfs/dbraw/zinc/89/86/40/808898640.db2.gz CBWSTNRIBVADAX-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1c(O)cccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275026869 808898645 /nfs/dbraw/zinc/89/86/45/808898645.db2.gz CBWSTNRIBVADAX-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275072863 808904590 /nfs/dbraw/zinc/90/45/90/808904590.db2.gz IYQLBAYYWDRVFU-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1ccccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275278826 808924804 /nfs/dbraw/zinc/92/48/04/808924804.db2.gz PMBRWMWSTRAPMC-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275278826 808924810 /nfs/dbraw/zinc/92/48/10/808924810.db2.gz PMBRWMWSTRAPMC-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(C)c1 ZINC001275283617 808925751 /nfs/dbraw/zinc/92/57/51/808925751.db2.gz QXOMWHZPHAFBHH-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cncc3ccccc31)C2 ZINC001275841791 808970619 /nfs/dbraw/zinc/97/06/19/808970619.db2.gz AQLAWROQWKJMOT-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cncc3ccccc31)C2 ZINC001275841791 808970624 /nfs/dbraw/zinc/97/06/24/808970624.db2.gz AQLAWROQWKJMOT-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cncc3ccccc31)C2 ZINC001275841791 808970628 /nfs/dbraw/zinc/97/06/28/808970628.db2.gz AQLAWROQWKJMOT-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cncc3ccccc31)C2 ZINC001275841791 808970632 /nfs/dbraw/zinc/97/06/32/808970632.db2.gz AQLAWROQWKJMOT-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001276054195 808986224 /nfs/dbraw/zinc/98/62/24/808986224.db2.gz GTXSFSYQFLIHQV-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276170201 808990354 /nfs/dbraw/zinc/99/03/54/808990354.db2.gz SLMVNPPQOYQTDB-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276170201 808990359 /nfs/dbraw/zinc/99/03/59/808990359.db2.gz SLMVNPPQOYQTDB-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276170201 808990362 /nfs/dbraw/zinc/99/03/62/808990362.db2.gz SLMVNPPQOYQTDB-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276170201 808990366 /nfs/dbraw/zinc/99/03/66/808990366.db2.gz SLMVNPPQOYQTDB-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC001276175002 808992031 /nfs/dbraw/zinc/99/20/31/808992031.db2.gz VFZYQNUYDGJCSB-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC001276175002 808992034 /nfs/dbraw/zinc/99/20/34/808992034.db2.gz VFZYQNUYDGJCSB-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1SC ZINC001276340718 809003164 /nfs/dbraw/zinc/00/31/64/809003164.db2.gz MUAWSCHKAXMMMF-GOOCMWNKSA-N 2 1 276.449 3.123 20 0 CGADMP CS[C@H](C)CC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276470204 809011292 /nfs/dbraw/zinc/01/12/92/809011292.db2.gz LLAKXXMSYVHVEU-OAHLLOKOSA-N 2 1 296.524 3.468 20 0 CGADMP CS[C@H](C)CC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276470204 809011297 /nfs/dbraw/zinc/01/12/97/809011297.db2.gz LLAKXXMSYVHVEU-OAHLLOKOSA-N 2 1 296.524 3.468 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)cc2c1 ZINC001276598395 809018384 /nfs/dbraw/zinc/01/83/84/809018384.db2.gz ZUIDGUOIJWWXFG-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cc2c1 ZINC001276598395 809018390 /nfs/dbraw/zinc/01/83/90/809018390.db2.gz ZUIDGUOIJWWXFG-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cc2c1 ZINC001276598395 809018392 /nfs/dbraw/zinc/01/83/92/809018392.db2.gz ZUIDGUOIJWWXFG-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCCCc1ccccc1)CC2 ZINC001276746011 809027677 /nfs/dbraw/zinc/02/76/77/809027677.db2.gz GMWHSJHTVKJWCM-UHFFFAOYSA-N 2 1 286.463 3.427 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3occc31)C2 ZINC001276789728 809031597 /nfs/dbraw/zinc/03/15/97/809031597.db2.gz KQNWAXCXNZUCTH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3occc31)C2 ZINC001276789728 809031602 /nfs/dbraw/zinc/03/16/02/809031602.db2.gz KQNWAXCXNZUCTH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3occc31)C2 ZINC001276789728 809031612 /nfs/dbraw/zinc/03/16/12/809031612.db2.gz KQNWAXCXNZUCTH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc4c3CCC4)C2)C1 ZINC001277478204 809077643 /nfs/dbraw/zinc/07/76/43/809077643.db2.gz FUBQKUNPPCSMBK-FQEVSTJZSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc4c3CCC4)C2)C1 ZINC001277478204 809077646 /nfs/dbraw/zinc/07/76/46/809077646.db2.gz FUBQKUNPPCSMBK-FQEVSTJZSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc4c3CCC4)C2)C1 ZINC001277478204 809077653 /nfs/dbraw/zinc/07/76/53/809077653.db2.gz FUBQKUNPPCSMBK-FQEVSTJZSA-N 2 1 298.474 3.483 20 0 CGADMP Cc1ccc[nH+]c1N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277708085 809090125 /nfs/dbraw/zinc/09/01/25/809090125.db2.gz PKLHZBKFOATCLF-CALCHBBNSA-N 2 1 299.462 3.481 20 0 CGADMP Cc1ccc[nH+]c1N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277708085 809090134 /nfs/dbraw/zinc/09/01/34/809090134.db2.gz PKLHZBKFOATCLF-CALCHBBNSA-N 2 1 299.462 3.481 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001175069900 809259526 /nfs/dbraw/zinc/25/95/26/809259526.db2.gz JNUJZOMDQLMHNN-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001175069900 809259533 /nfs/dbraw/zinc/25/95/33/809259533.db2.gz JNUJZOMDQLMHNN-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001175069900 809259534 /nfs/dbraw/zinc/25/95/34/809259534.db2.gz JNUJZOMDQLMHNN-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001175069900 809259541 /nfs/dbraw/zinc/25/95/41/809259541.db2.gz JNUJZOMDQLMHNN-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC001177222860 809788390 /nfs/dbraw/zinc/78/83/90/809788390.db2.gz RZJUDJCTIZSFCR-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC001181586342 810060512 /nfs/dbraw/zinc/06/05/12/810060512.db2.gz BMDZNKDXSNPNKJ-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC001181586342 810060515 /nfs/dbraw/zinc/06/05/15/810060515.db2.gz BMDZNKDXSNPNKJ-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccccc1 ZINC001184336553 810193655 /nfs/dbraw/zinc/19/36/55/810193655.db2.gz ARRNHIURTZWEPG-NUJGCVRESA-N 2 1 292.467 3.473 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC4(CC4)CC3)CC[C@@H]21 ZINC001191521335 810722415 /nfs/dbraw/zinc/72/24/15/810722415.db2.gz PROQKXFRGOPOFF-IRXDYDNUSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCC4(CC4)CC3)CC[C@@H]21 ZINC001191521335 810722421 /nfs/dbraw/zinc/72/24/21/810722421.db2.gz PROQKXFRGOPOFF-IRXDYDNUSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCC4(CC4)CC3)CC[C@@H]21 ZINC001191521335 810722424 /nfs/dbraw/zinc/72/24/24/810722424.db2.gz PROQKXFRGOPOFF-IRXDYDNUSA-N 2 1 276.468 3.373 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H]2CC=CCC2)CC1 ZINC001201416978 811836835 /nfs/dbraw/zinc/83/68/35/811836835.db2.gz DHVOOVXPWYEMTF-INIZCTEOSA-N 2 1 264.457 3.395 20 0 CGADMP CC(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001201470827 811854998 /nfs/dbraw/zinc/85/49/98/811854998.db2.gz IARZBVCXIYLLEL-UHFFFAOYSA-N 2 1 276.424 3.224 20 0 CGADMP CCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201730860 811949648 /nfs/dbraw/zinc/94/96/48/811949648.db2.gz MMRCJNAZFHRBRV-OAHLLOKOSA-N 2 1 292.471 3.290 20 0 CGADMP CCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201730860 811949653 /nfs/dbraw/zinc/94/96/53/811949653.db2.gz MMRCJNAZFHRBRV-OAHLLOKOSA-N 2 1 292.471 3.290 20 0 CGADMP CCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201730860 811949655 /nfs/dbraw/zinc/94/96/55/811949655.db2.gz MMRCJNAZFHRBRV-OAHLLOKOSA-N 2 1 292.471 3.290 20 0 CGADMP CCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201730860 811949658 /nfs/dbraw/zinc/94/96/58/811949658.db2.gz MMRCJNAZFHRBRV-OAHLLOKOSA-N 2 1 292.471 3.290 20 0 CGADMP COc1ccccc1C[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001203438522 812357052 /nfs/dbraw/zinc/35/70/52/812357052.db2.gz JAECYLAYGQNTQL-INIZCTEOSA-N 2 1 298.386 3.052 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001203749560 812451562 /nfs/dbraw/zinc/45/15/62/812451562.db2.gz LBUYLWCFAXMOGI-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP COc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203823453 812470601 /nfs/dbraw/zinc/47/06/01/812470601.db2.gz GIPXWFKQBDRAPG-KRWDZBQOSA-N 2 1 298.386 3.052 20 0 CGADMP COc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203823453 812470605 /nfs/dbraw/zinc/47/06/05/812470605.db2.gz GIPXWFKQBDRAPG-KRWDZBQOSA-N 2 1 298.386 3.052 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001204024491 812525282 /nfs/dbraw/zinc/52/52/82/812525282.db2.gz JZWAPCXGAAYGAQ-AWEZNQCLSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001204024491 812525288 /nfs/dbraw/zinc/52/52/88/812525288.db2.gz JZWAPCXGAAYGAQ-AWEZNQCLSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001204024491 812525290 /nfs/dbraw/zinc/52/52/90/812525290.db2.gz JZWAPCXGAAYGAQ-AWEZNQCLSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001204035746 812527837 /nfs/dbraw/zinc/52/78/37/812527837.db2.gz SFKFFBAYFVXBTE-CQSZACIVSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001204035746 812527839 /nfs/dbraw/zinc/52/78/39/812527839.db2.gz SFKFFBAYFVXBTE-CQSZACIVSA-N 2 1 288.416 3.413 20 0 CGADMP CC(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001204089875 812547028 /nfs/dbraw/zinc/54/70/28/812547028.db2.gz SEGCLEKQLDIHKC-KBAYOESNSA-N 2 1 272.436 3.240 20 0 CGADMP CC(C)C[N@@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204267444 812592400 /nfs/dbraw/zinc/59/24/00/812592400.db2.gz SIHUHIQYYRLPKY-UHFFFAOYSA-N 2 1 278.440 3.105 20 0 CGADMP CC[N@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001204611530 812690112 /nfs/dbraw/zinc/69/01/12/812690112.db2.gz QZAQQANWPBSKIX-UHFFFAOYSA-N 2 1 272.436 3.288 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204782821 812734843 /nfs/dbraw/zinc/73/48/43/812734843.db2.gz KMXRLCSSZHUJHH-KRWDZBQOSA-N 2 1 254.377 3.071 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204782821 812734850 /nfs/dbraw/zinc/73/48/50/812734850.db2.gz KMXRLCSSZHUJHH-KRWDZBQOSA-N 2 1 254.377 3.071 20 0 CGADMP F[C@@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001204847683 812752998 /nfs/dbraw/zinc/75/29/98/812752998.db2.gz DCOUZDWKGNTQHW-CQSZACIVSA-N 2 1 292.389 3.368 20 0 CGADMP F[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001204847683 812752999 /nfs/dbraw/zinc/75/29/99/812752999.db2.gz DCOUZDWKGNTQHW-CQSZACIVSA-N 2 1 292.389 3.368 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC001204876383 812760047 /nfs/dbraw/zinc/76/00/47/812760047.db2.gz ZDGQLUNPMOKCCA-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(OC)c(C)c2)CC1 ZINC001204908088 812771414 /nfs/dbraw/zinc/77/14/14/812771414.db2.gz LNOFJDCRDGVWOD-UHFFFAOYSA-N 2 1 290.451 3.167 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(C)(C)c2ccccc2)C1 ZINC001205001412 812818923 /nfs/dbraw/zinc/81/89/23/812818923.db2.gz RNVLZIRWLVZBFB-INIZCTEOSA-N 2 1 274.452 3.286 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC001205101526 812864732 /nfs/dbraw/zinc/86/47/32/812864732.db2.gz HWZHKTYKTMCFRG-SFHVURJKSA-N 2 1 281.403 3.062 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3cccccc2-3)CC1 ZINC001205124093 812877274 /nfs/dbraw/zinc/87/72/74/812877274.db2.gz KDAUBROUYNEBST-MRXNPFEDSA-N 2 1 254.377 3.105 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(Cl)c1 ZINC001205124665 812878389 /nfs/dbraw/zinc/87/83/89/812878389.db2.gz XLKMGBBPSPWZAC-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(Cl)c1 ZINC001205124665 812878400 /nfs/dbraw/zinc/87/84/00/812878400.db2.gz XLKMGBBPSPWZAC-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130397 812880183 /nfs/dbraw/zinc/88/01/83/812880183.db2.gz DJTAPRLONPFOIN-CQSZACIVSA-N 2 1 264.438 3.112 20 0 CGADMP C[C@H]1C[N@@H+](CCc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC001205130906 812880320 /nfs/dbraw/zinc/88/03/20/812880320.db2.gz PANBDYGWZGPNCP-CMPLNLGQSA-N 2 1 287.234 3.063 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205263814 812920158 /nfs/dbraw/zinc/92/01/58/812920158.db2.gz CLTOUZQWVXJOPA-KRWDZBQOSA-N 2 1 271.408 3.180 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001205266927 812923691 /nfs/dbraw/zinc/92/36/91/812923691.db2.gz YEFCNWRSOILKNE-INIZCTEOSA-N 2 1 275.371 3.010 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205281777 812930084 /nfs/dbraw/zinc/93/00/84/812930084.db2.gz XSNXCKUZEZRWQP-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205297099 812937475 /nfs/dbraw/zinc/93/74/75/812937475.db2.gz YUWWGYCDKMFEGW-QGZVFWFLSA-N 2 1 276.424 3.097 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC001205303627 812941831 /nfs/dbraw/zinc/94/18/31/812941831.db2.gz IWZJAGMSTXQAKJ-GDBMZVCRSA-N 2 1 274.452 3.401 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C[C@@H]1C[NH3+] ZINC001205303808 812942000 /nfs/dbraw/zinc/94/20/00/812942000.db2.gz KYABASXETIDQEJ-NEPJUHHUSA-N 2 1 291.826 3.238 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205305002 812944189 /nfs/dbraw/zinc/94/41/89/812944189.db2.gz QMCAMWNATFZKCB-RHSMWYFYSA-N 2 1 260.425 3.056 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205315420 812948051 /nfs/dbraw/zinc/94/80/51/812948051.db2.gz GQNDVSNMKCZRFE-NEPJUHHUSA-N 2 1 298.883 3.479 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205315420 812948056 /nfs/dbraw/zinc/94/80/56/812948056.db2.gz GQNDVSNMKCZRFE-NEPJUHHUSA-N 2 1 298.883 3.479 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)c2)C[C@H]1C[NH3+] ZINC001205318666 812952277 /nfs/dbraw/zinc/95/22/77/812952277.db2.gz WAPQADYPFCELAW-GDBMZVCRSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC001205326460 812956125 /nfs/dbraw/zinc/95/61/25/812956125.db2.gz ZMKDOAUEYLNHEW-CQSZACIVSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ccccc2c1 ZINC001205326460 812956128 /nfs/dbraw/zinc/95/61/28/812956128.db2.gz ZMKDOAUEYLNHEW-CQSZACIVSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2sccc21 ZINC001205331127 812958701 /nfs/dbraw/zinc/95/87/01/812958701.db2.gz FHJGNKQAXKDWNM-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2sccc21 ZINC001205331127 812958703 /nfs/dbraw/zinc/95/87/03/812958703.db2.gz FHJGNKQAXKDWNM-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)c2c1 ZINC001205545331 812999480 /nfs/dbraw/zinc/99/94/80/812999480.db2.gz DJKCRJZVJOVSCH-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570134 813007509 /nfs/dbraw/zinc/00/75/09/813007509.db2.gz GIIHCWVGXSCJRN-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(C)c1 ZINC001205603371 813020431 /nfs/dbraw/zinc/02/04/31/813020431.db2.gz OTSCPHUEWSYQBP-RHSMWYFYSA-N 2 1 274.452 3.419 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205653302 813041919 /nfs/dbraw/zinc/04/19/19/813041919.db2.gz SPARGWWDTVVMPC-DZGCQCFKSA-N 2 1 294.414 3.031 20 0 CGADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1C ZINC001205651406 813042132 /nfs/dbraw/zinc/04/21/32/813042132.db2.gz DVGQCCVILRWQEM-RHSMWYFYSA-N 2 1 290.451 3.201 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Cl ZINC001205654855 813044750 /nfs/dbraw/zinc/04/47/50/813044750.db2.gz XYJITKZYORTRIK-OCCSQVGLSA-N 2 1 280.843 3.455 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1(C)C ZINC001205735089 813064610 /nfs/dbraw/zinc/06/46/10/813064610.db2.gz JYWYIOKLJXFMGW-KGLIPLIRSA-N 2 1 286.410 3.285 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001205839414 813104678 /nfs/dbraw/zinc/10/46/78/813104678.db2.gz FORVQFLNJQOAOC-SUMWQHHRSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001205839414 813104681 /nfs/dbraw/zinc/10/46/81/813104681.db2.gz FORVQFLNJQOAOC-SUMWQHHRSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001205844350 813105968 /nfs/dbraw/zinc/10/59/68/813105968.db2.gz WOCXSCPNONBDGC-RHSMWYFYSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001205844350 813105969 /nfs/dbraw/zinc/10/59/69/813105969.db2.gz WOCXSCPNONBDGC-RHSMWYFYSA-N 2 1 272.436 3.125 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205902603 813124000 /nfs/dbraw/zinc/12/40/00/813124000.db2.gz KWEQHDAYIKBCDE-HUUCEWRRSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccncc2)cc1 ZINC001205903284 813124654 /nfs/dbraw/zinc/12/46/54/813124654.db2.gz NZCGQXOQXMOROU-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1C(C)C ZINC001205903594 813126535 /nfs/dbraw/zinc/12/65/35/813126535.db2.gz QGRYPVNQHOVTIL-GOEBONIOSA-N 2 1 290.451 3.378 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c2c1 ZINC001205904224 813126659 /nfs/dbraw/zinc/12/66/59/813126659.db2.gz TUMVHMSNBDTKJN-UONOGXRCSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205915502 813131068 /nfs/dbraw/zinc/13/10/68/813131068.db2.gz PLHDCQDZKRNGQT-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205915502 813131069 /nfs/dbraw/zinc/13/10/69/813131069.db2.gz PLHDCQDZKRNGQT-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2sccc21 ZINC001205915697 813131353 /nfs/dbraw/zinc/13/13/53/813131353.db2.gz QHGZAKHGFKGGCW-STQMWFEESA-N 2 1 274.433 3.461 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205914735 813131540 /nfs/dbraw/zinc/13/15/40/813131540.db2.gz NCSGKKXPQCPLHC-GOEBONIOSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(F)c1 ZINC001205923234 813135933 /nfs/dbraw/zinc/13/59/33/813135933.db2.gz LJWAEHKFOBVPSJ-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(F)c1 ZINC001205923234 813135936 /nfs/dbraw/zinc/13/59/36/813135936.db2.gz LJWAEHKFOBVPSJ-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@H]1C[N@@H+](CCc2ccc(Cl)cc2)CCC[C@@H]1C[NH3+] ZINC001205983174 813151200 /nfs/dbraw/zinc/15/12/00/813151200.db2.gz OGPIBHBGIMEPJW-DZGCQCFKSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981857 813151733 /nfs/dbraw/zinc/15/17/33/813151733.db2.gz IEMYDFCIHNKDEI-BRWVUGGUSA-N 2 1 298.515 3.261 20 0 CGADMP C[C@H]1C[N@@H+](CCCC2CCCC2)CCC[C@H]1C[NH3+] ZINC001205985472 813152572 /nfs/dbraw/zinc/15/25/72/813152572.db2.gz YKSCLEIOZUYNFV-HOCLYGCPSA-N 2 1 252.446 3.264 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205992072 813154875 /nfs/dbraw/zinc/15/48/75/813154875.db2.gz DFYYXWWILUYKNE-JKSUJKDBSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC001205994380 813157438 /nfs/dbraw/zinc/15/74/38/813157438.db2.gz LEFAREHYUHZEFD-ZBFHGGJFSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCC[C@@H]1C[NH3+] ZINC001205995785 813157510 /nfs/dbraw/zinc/15/75/10/813157510.db2.gz QHOIEHOBSIJHLN-HUUCEWRRSA-N 2 1 283.419 3.042 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001205996809 813158513 /nfs/dbraw/zinc/15/85/13/813158513.db2.gz YQRZUFUTQNCIST-RDJZCZTQSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3cccnc3c2)CCC[C@H]1C[NH3+] ZINC001206003461 813161473 /nfs/dbraw/zinc/16/14/73/813161473.db2.gz IFXZIZHNMKSDCP-YOEHRIQHSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2C(F)F)CCC[C@H]1C[NH3+] ZINC001206005985 813161994 /nfs/dbraw/zinc/16/19/94/813161994.db2.gz ZUMNQMFVZXSRQC-STQMWFEESA-N 2 1 282.378 3.431 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2-n2cccc2)CCC[C@H]1C[NH3+] ZINC001206013713 813164909 /nfs/dbraw/zinc/16/49/09/813164909.db2.gz TXHMMTDOIUDYNL-IRXDYDNUSA-N 2 1 297.446 3.284 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cnc1C1CC1 ZINC001206036688 813176050 /nfs/dbraw/zinc/17/60/50/813176050.db2.gz NZGWEBSDXRRTBK-PBHICJAKSA-N 2 1 287.451 3.074 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc3ccccc32)CC[C@@H]1F ZINC001206156442 813216132 /nfs/dbraw/zinc/21/61/32/813216132.db2.gz QWIIXFABTVYHFQ-IRXDYDNUSA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1F ZINC001206156442 813216136 /nfs/dbraw/zinc/21/61/36/813216136.db2.gz QWIIXFABTVYHFQ-IRXDYDNUSA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccnc3)cc2)CC[C@H]1F ZINC001206174246 813226295 /nfs/dbraw/zinc/22/62/95/813226295.db2.gz MUQCGJYPIUXMIR-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC[C@H]1F ZINC001206174246 813226298 /nfs/dbraw/zinc/22/62/98/813226298.db2.gz MUQCGJYPIUXMIR-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1F ZINC001206188928 813233446 /nfs/dbraw/zinc/23/34/46/813233446.db2.gz WGJLOQXGKNUNFB-SJORKVTESA-N 2 1 299.393 3.010 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206189825 813233817 /nfs/dbraw/zinc/23/38/17/813233817.db2.gz XQWYINRZJIEQFJ-IRXDYDNUSA-N 2 1 278.415 3.290 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206200147 813236072 /nfs/dbraw/zinc/23/60/72/813236072.db2.gz QROXYGFFFUUZPX-HOTGVXAUSA-N 2 1 294.414 3.125 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001206257946 813260383 /nfs/dbraw/zinc/26/03/83/813260383.db2.gz NWPHWCVKAGKQFO-BJJXKVORSA-N 2 1 278.827 3.127 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c(C)c1C ZINC001206262924 813262707 /nfs/dbraw/zinc/26/27/07/813262707.db2.gz JQPIYWCGKGQZII-LBPRGKRZSA-N 2 1 274.452 3.413 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c2ccccc12 ZINC001206269084 813264532 /nfs/dbraw/zinc/26/45/32/813264532.db2.gz AFUYRSCCIRRNEM-CQSZACIVSA-N 2 1 268.404 3.190 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC001206287184 813272565 /nfs/dbraw/zinc/27/25/65/813272565.db2.gz XZBSZJGDVLNJKB-INIZCTEOSA-N 2 1 295.430 3.098 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC001206287184 813272568 /nfs/dbraw/zinc/27/25/68/813272568.db2.gz XZBSZJGDVLNJKB-INIZCTEOSA-N 2 1 295.430 3.098 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001206336713 813294680 /nfs/dbraw/zinc/29/46/80/813294680.db2.gz NQBRDGYAZQCCIH-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001206343584 813295309 /nfs/dbraw/zinc/29/53/09/813295309.db2.gz GUZVRZOIFSTDFF-SFHVURJKSA-N 2 1 286.394 3.493 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)CC1 ZINC001206490340 813334512 /nfs/dbraw/zinc/33/45/12/813334512.db2.gz LZRJPGDUALUIBR-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573513 813358694 /nfs/dbraw/zinc/35/86/94/813358694.db2.gz MKRPBUKWPLLXGV-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP CC(C)[N@@H+](CCOCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC001206583391 813363724 /nfs/dbraw/zinc/36/37/24/813363724.db2.gz UHJZIOJVHAMFTJ-SFHVURJKSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615097 813375719 /nfs/dbraw/zinc/37/57/19/813375719.db2.gz BZUSPUDSVBJYFD-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1C(C)C ZINC001206622823 813377642 /nfs/dbraw/zinc/37/76/42/813377642.db2.gz HELHIGBTQTWXKH-MRXNPFEDSA-N 2 1 290.451 3.379 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c21 ZINC001206624879 813378770 /nfs/dbraw/zinc/37/87/70/813378770.db2.gz ZKARIJSVGVBFSQ-AWEZNQCLSA-N 2 1 271.408 3.037 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206767783 813430430 /nfs/dbraw/zinc/43/04/30/813430430.db2.gz FFPUDNWMJPQNJR-DOTOQJQBSA-N 2 1 290.451 3.425 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cccc(Cl)c12 ZINC001206772196 813433504 /nfs/dbraw/zinc/43/35/04/813433504.db2.gz ZBSIBDMGIMEZDP-RYUDHWBXSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1cncc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001207156785 813500793 /nfs/dbraw/zinc/50/07/93/813500793.db2.gz HUXWOQPMXYQUOM-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cncc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001207156785 813500795 /nfs/dbraw/zinc/50/07/95/813500795.db2.gz HUXWOQPMXYQUOM-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001207161672 813501780 /nfs/dbraw/zinc/50/17/80/813501780.db2.gz DCJVFIRGHZOUTB-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001207161672 813501787 /nfs/dbraw/zinc/50/17/87/813501787.db2.gz DCJVFIRGHZOUTB-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cncc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001207161672 813501792 /nfs/dbraw/zinc/50/17/92/813501792.db2.gz DCJVFIRGHZOUTB-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cncc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001207161672 813501797 /nfs/dbraw/zinc/50/17/97/813501797.db2.gz DCJVFIRGHZOUTB-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207178554 813507113 /nfs/dbraw/zinc/50/71/13/813507113.db2.gz WCFRZNBRPASKEC-GOEBONIOSA-N 2 1 280.843 3.327 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001207275791 813530016 /nfs/dbraw/zinc/53/00/16/813530016.db2.gz PIQGUJSGRMFWNJ-MRXNPFEDSA-N 2 1 260.425 3.064 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207283609 813534461 /nfs/dbraw/zinc/53/44/61/813534461.db2.gz ARZBZJFENWXTKZ-INIZCTEOSA-N 2 1 290.451 3.420 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1CCC(F)(F)CC1 ZINC001207347255 813544869 /nfs/dbraw/zinc/54/48/69/813544869.db2.gz PWYBIMUSZXEARS-UHFFFAOYSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001207485557 813572774 /nfs/dbraw/zinc/57/27/74/813572774.db2.gz WIXVISJRWZDDTH-IBGZPJMESA-N 2 1 286.463 3.283 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1F ZINC001207486256 813572785 /nfs/dbraw/zinc/57/27/85/813572785.db2.gz FKUAZLHWBQNVFQ-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCCc3ccccc3C2)CC1 ZINC001207485216 813573316 /nfs/dbraw/zinc/57/33/16/813573316.db2.gz UTYQBVLZRNTLHB-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001207488633 813574179 /nfs/dbraw/zinc/57/41/79/813574179.db2.gz NFGRJISKVQCMIY-UHFFFAOYSA-N 2 1 294.389 3.055 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)CCC1CC[NH+](C)CC1 ZINC001207487282 813574349 /nfs/dbraw/zinc/57/43/49/813574349.db2.gz WKAAZWGGJNJSRI-RMKNXTFCSA-N 2 1 272.436 3.364 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)cc1 ZINC001207522241 813585826 /nfs/dbraw/zinc/58/58/26/813585826.db2.gz CBPJYPCCQMYWEN-OALUTQOASA-N 2 1 286.463 3.379 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCCc1cccc(Cl)c1 ZINC001207584972 813602337 /nfs/dbraw/zinc/60/23/37/813602337.db2.gz OCSCMXAFEMSUDO-UHFFFAOYSA-N 2 1 268.832 3.156 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@@H]2C1 ZINC001207604322 813608437 /nfs/dbraw/zinc/60/84/37/813608437.db2.gz LLOVJLMMTDMMRS-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2C1 ZINC001207604322 813608443 /nfs/dbraw/zinc/60/84/43/813608443.db2.gz LLOVJLMMTDMMRS-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCc3cccc(F)c3)C[C@@H]2C1 ZINC001207604322 813608448 /nfs/dbraw/zinc/60/84/48/813608448.db2.gz LLOVJLMMTDMMRS-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP CCC[N@H+](CCCc1cccc(F)c1)CCC[NH+](C)C ZINC001207604723 813608730 /nfs/dbraw/zinc/60/87/30/813608730.db2.gz XDMMAYGAESHBNZ-UHFFFAOYSA-N 2 1 280.431 3.422 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC3CCCCC3)C[C@@H]2C1 ZINC001207607288 813609698 /nfs/dbraw/zinc/60/96/98/813609698.db2.gz NJJTXYSGCLXSNX-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC3CCCCC3)C[C@@H]2C1 ZINC001207607288 813609705 /nfs/dbraw/zinc/60/97/05/813609705.db2.gz NJJTXYSGCLXSNX-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC3CCCCC3)C[C@@H]2C1 ZINC001207607288 813609711 /nfs/dbraw/zinc/60/97/11/813609711.db2.gz NJJTXYSGCLXSNX-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001207747502 813644993 /nfs/dbraw/zinc/64/49/93/813644993.db2.gz KYZSKDBIZQOQBQ-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1CCSCC1 ZINC001207755377 813645886 /nfs/dbraw/zinc/64/58/86/813645886.db2.gz KYEJSPDDPWWBOD-DLBZAZTESA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC001207755377 813645890 /nfs/dbraw/zinc/64/58/90/813645890.db2.gz KYEJSPDDPWWBOD-DLBZAZTESA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001207755377 813645894 /nfs/dbraw/zinc/64/58/94/813645894.db2.gz KYEJSPDDPWWBOD-DLBZAZTESA-N 2 1 296.524 3.468 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001207836238 813657732 /nfs/dbraw/zinc/65/77/32/813657732.db2.gz HUKWPOWGGNCXIQ-VWNJHIHFSA-N 2 1 292.854 3.201 20 0 CGADMP Cc1ccc(C[N@H+](C)CC2(C)CC[NH+](C)CC2)cc1C ZINC001208110438 813694162 /nfs/dbraw/zinc/69/41/62/813694162.db2.gz CYXUDAXZQKOEKN-UHFFFAOYSA-N 2 1 274.452 3.467 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CC2(C)CC[NH+](C)CC2)cc1 ZINC001208109532 813695049 /nfs/dbraw/zinc/69/50/49/813695049.db2.gz NWRLPFPRBPTLHE-HNNXBMFYSA-N 2 1 290.451 3.420 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208116212 813696138 /nfs/dbraw/zinc/69/61/38/813696138.db2.gz QVQWIWMHUIVCMD-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCCc3ccccc3C2)CC1 ZINC001208114464 813696171 /nfs/dbraw/zinc/69/61/71/813696171.db2.gz XUFAUMBENVESIF-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP Cc1ccc([C@H](C)CC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC001208150773 813709412 /nfs/dbraw/zinc/70/94/12/813709412.db2.gz ICUOEAPRDAJDQX-CYBMUJFWSA-N 2 1 264.413 3.108 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC[C@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001208161384 813718149 /nfs/dbraw/zinc/71/81/49/813718149.db2.gz KKPHTCNTVMADSO-BHYGNILZSA-N 2 1 290.451 3.355 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC[C@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001208161384 813718155 /nfs/dbraw/zinc/71/81/55/813718155.db2.gz KKPHTCNTVMADSO-BHYGNILZSA-N 2 1 290.451 3.355 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CC[C@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001208161384 813718159 /nfs/dbraw/zinc/71/81/59/813718159.db2.gz KKPHTCNTVMADSO-BHYGNILZSA-N 2 1 290.451 3.355 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208182500 813733085 /nfs/dbraw/zinc/73/30/85/813733085.db2.gz YJHSLTGAQWGEJU-GASCZTMLSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2c2cccnc2)CCCC1 ZINC001208182474 813733589 /nfs/dbraw/zinc/73/35/89/813733589.db2.gz WXMRVNKNINMXPR-QGZVFWFLSA-N 2 1 287.451 3.341 20 0 CGADMP C[C@H]1CCCCC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208191850 813738258 /nfs/dbraw/zinc/73/82/58/813738258.db2.gz QKOANADLQYKQBE-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001208592309 813768910 /nfs/dbraw/zinc/76/89/10/813768910.db2.gz HJTAGGLJVNHBQS-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001208601956 813770845 /nfs/dbraw/zinc/77/08/45/813770845.db2.gz UPICXRMLGXYXAV-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cccc(F)c2F)CC1 ZINC001208602630 813771215 /nfs/dbraw/zinc/77/12/15/813771215.db2.gz KKTNKZCJYMPFMW-UHFFFAOYSA-N 2 1 282.378 3.129 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001208601660 813771599 /nfs/dbraw/zinc/77/15/99/813771599.db2.gz PUTYWGMZDJPUSL-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001208601660 813771605 /nfs/dbraw/zinc/77/16/05/813771605.db2.gz PUTYWGMZDJPUSL-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001208612333 813773020 /nfs/dbraw/zinc/77/30/20/813773020.db2.gz MMGNJEZZJUTSCL-NVXWUHKLSA-N 2 1 290.476 3.118 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001208612333 813773027 /nfs/dbraw/zinc/77/30/27/813773027.db2.gz MMGNJEZZJUTSCL-NVXWUHKLSA-N 2 1 290.476 3.118 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001208612333 813773031 /nfs/dbraw/zinc/77/30/31/813773031.db2.gz MMGNJEZZJUTSCL-NVXWUHKLSA-N 2 1 290.476 3.118 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001208612333 813773038 /nfs/dbraw/zinc/77/30/38/813773038.db2.gz MMGNJEZZJUTSCL-NVXWUHKLSA-N 2 1 290.476 3.118 20 0 CGADMP COc1ccc([C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612715 813774683 /nfs/dbraw/zinc/77/46/83/813774683.db2.gz NIRREEZOKIXFTB-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612715 813774691 /nfs/dbraw/zinc/77/46/91/813774691.db2.gz NIRREEZOKIXFTB-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208612715 813774697 /nfs/dbraw/zinc/77/46/97/813774697.db2.gz NIRREEZOKIXFTB-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612715 813774702 /nfs/dbraw/zinc/77/47/02/813774702.db2.gz NIRREEZOKIXFTB-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1cc(F)cc(F)c1 ZINC001209132904 813945024 /nfs/dbraw/zinc/94/50/24/813945024.db2.gz KMTRKHZAVGKHDC-UHFFFAOYSA-N 2 1 284.394 3.171 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCc3ccccc3)C[C@@H]2C1 ZINC001209229507 813976603 /nfs/dbraw/zinc/97/66/03/813976603.db2.gz HNYKRRBTEURGOD-MOPGFXCFSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCc3ccccc3)C[C@@H]2C1 ZINC001209229507 813976608 /nfs/dbraw/zinc/97/66/08/813976608.db2.gz HNYKRRBTEURGOD-MOPGFXCFSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]2C1 ZINC001209229507 813976612 /nfs/dbraw/zinc/97/66/12/813976612.db2.gz HNYKRRBTEURGOD-MOPGFXCFSA-N 2 1 286.463 3.283 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001209405693 814015253 /nfs/dbraw/zinc/01/52/53/814015253.db2.gz YVLNNCNUQHWAME-HZPDHXFCSA-N 2 1 296.499 3.386 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209432277 814033759 /nfs/dbraw/zinc/03/37/59/814033759.db2.gz PXOPJJBEZUXZEZ-ZBFHGGJFSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209432277 814033766 /nfs/dbraw/zinc/03/37/66/814033766.db2.gz PXOPJJBEZUXZEZ-ZBFHGGJFSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC[NH2+]1 ZINC001210499258 814491431 /nfs/dbraw/zinc/49/14/31/814491431.db2.gz UIGPILJMTVXCOL-HNNXBMFYSA-N 2 1 292.426 3.442 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC[NH2+]1 ZINC001210499258 814491435 /nfs/dbraw/zinc/49/14/35/814491435.db2.gz UIGPILJMTVXCOL-HNNXBMFYSA-N 2 1 292.426 3.442 20 0 CGADMP CCc1ccc(C)[nH+]c1Nc1cccc(C[NH2+]C)c1 ZINC001211134304 814758252 /nfs/dbraw/zinc/75/82/52/814758252.db2.gz IMOMSOAXFSVWLR-UHFFFAOYSA-N 2 1 255.365 3.415 20 0 CGADMP C(C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)C1CCOCC1 ZINC001222153981 816360828 /nfs/dbraw/zinc/36/08/28/816360828.db2.gz DYJNBZIWIDVBEI-GOSISDBHSA-N 2 1 294.483 3.049 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191547 816371435 /nfs/dbraw/zinc/37/14/35/816371435.db2.gz MXTCMMUBILFGTL-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191547 816371440 /nfs/dbraw/zinc/37/14/40/816371440.db2.gz MXTCMMUBILFGTL-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222230736 816379533 /nfs/dbraw/zinc/37/95/33/816379533.db2.gz CQBLSYKDQVFNAT-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c12 ZINC001222259671 816389455 /nfs/dbraw/zinc/38/94/55/816389455.db2.gz WNYJQEZNCGPOJM-LJQANCHMSA-N 2 1 295.430 3.261 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c12 ZINC001222259671 816389461 /nfs/dbraw/zinc/38/94/61/816389461.db2.gz WNYJQEZNCGPOJM-LJQANCHMSA-N 2 1 295.430 3.261 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222308733 816403616 /nfs/dbraw/zinc/40/36/16/816403616.db2.gz LXUIFUXYBBDKOR-SFHVURJKSA-N 2 1 272.436 3.146 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222310419 816404816 /nfs/dbraw/zinc/40/48/16/816404816.db2.gz UYACCFVVVFSUCN-QGZVFWFLSA-N 2 1 258.409 3.103 20 0 CGADMP COc1cc(C)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222310870 816405028 /nfs/dbraw/zinc/40/50/28/816405028.db2.gz XEGWKOWLGWGNME-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1F ZINC001222315892 816407482 /nfs/dbraw/zinc/40/74/82/816407482.db2.gz QHSFSDCIWNKREW-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1F ZINC001222315892 816407487 /nfs/dbraw/zinc/40/74/87/816407487.db2.gz QHSFSDCIWNKREW-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP CC1(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CCCCC1 ZINC001222347116 816415483 /nfs/dbraw/zinc/41/54/83/816415483.db2.gz WMRPRIFWNGFUPX-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP Fc1ccc(CCC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384883 816426678 /nfs/dbraw/zinc/42/66/78/816426678.db2.gz BGYDMPRZTDVGNL-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384883 816426680 /nfs/dbraw/zinc/42/66/80/816426680.db2.gz BGYDMPRZTDVGNL-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP CCOC(=[NH2+])c1cccc(-c2ccc(C[NH2+]C)cc2)c1 ZINC001242991627 823201118 /nfs/dbraw/zinc/20/11/18/823201118.db2.gz AZASLRYUYRMYAE-UHFFFAOYSA-N 2 1 268.360 3.435 20 0 CGADMP CC1(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCCCC1 ZINC001222420418 816439700 /nfs/dbraw/zinc/43/97/00/816439700.db2.gz CSMMBNGNUFSOIC-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP CC(C)CCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596390 816474295 /nfs/dbraw/zinc/47/42/95/816474295.db2.gz VLMWGYXMERAOQA-QGZVFWFLSA-N 2 1 272.436 3.112 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CCC3CCCC3)CC23C[NH2+]C3)cc1 ZINC001222595662 816475260 /nfs/dbraw/zinc/47/52/60/816475260.db2.gz GFKWTNDWDVGZFO-SFHVURJKSA-N 2 1 284.447 3.256 20 0 CGADMP C[NH2+]Cc1ccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)cc1 ZINC001242991215 823200230 /nfs/dbraw/zinc/20/02/30/823200230.db2.gz ZPZXCQBNIMMVQL-UHFFFAOYSA-N 2 1 281.281 3.069 20 0 CGADMP C[NH2+]Cc1cccc(-c2ccc3c(c2)C[N@H+](C)CC3)c1 ZINC001242999562 823206343 /nfs/dbraw/zinc/20/63/43/823206343.db2.gz LCZKQJNKSGYQGN-UHFFFAOYSA-N 2 1 266.388 3.061 20 0 CGADMP CCC[N@@H+](CC)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145458 818264880 /nfs/dbraw/zinc/26/48/80/818264880.db2.gz UFOKXTXYYBSXHI-UHFFFAOYSA-N 2 1 252.377 3.119 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992768 818970744 /nfs/dbraw/zinc/97/07/44/818970744.db2.gz LWNHVYRXWPNRBE-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992768 818970748 /nfs/dbraw/zinc/97/07/48/818970748.db2.gz LWNHVYRXWPNRBE-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP c1cc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2s1 ZINC001234997762 818971691 /nfs/dbraw/zinc/97/16/91/818971691.db2.gz GCQOKFCNVSZFMV-QGZVFWFLSA-N 2 1 286.444 3.477 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2s1 ZINC001234997762 818971700 /nfs/dbraw/zinc/97/17/00/818971700.db2.gz GCQOKFCNVSZFMV-QGZVFWFLSA-N 2 1 286.444 3.477 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234994895 818972902 /nfs/dbraw/zinc/97/29/02/818972902.db2.gz TYHRHOHRJTZJIM-KRWDZBQOSA-N 2 1 292.854 3.348 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235001794 818974472 /nfs/dbraw/zinc/97/44/72/818974472.db2.gz XSYOCXWRUFEKRI-QGZVFWFLSA-N 2 1 290.476 3.374 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235001794 818974478 /nfs/dbraw/zinc/97/44/78/818974478.db2.gz XSYOCXWRUFEKRI-QGZVFWFLSA-N 2 1 290.476 3.374 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235001893 818974960 /nfs/dbraw/zinc/97/49/60/818974960.db2.gz WIHLRXHHSONOKX-GOSISDBHSA-N 2 1 272.436 3.133 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024578 818980549 /nfs/dbraw/zinc/98/05/49/818980549.db2.gz OBMQGIWGPICHAI-UHFFFAOYSA-N 2 1 296.414 3.034 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024578 818980553 /nfs/dbraw/zinc/98/05/53/818980553.db2.gz OBMQGIWGPICHAI-UHFFFAOYSA-N 2 1 296.414 3.034 20 0 CGADMP c1ccc2c(c1)Cc1cc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)ccc1-2 ZINC001235032561 818983875 /nfs/dbraw/zinc/98/38/75/818983875.db2.gz RAKAGNKBHDIPIN-FXAWDEMLSA-N 2 1 290.410 3.052 20 0 CGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)ccc1-2 ZINC001235032561 818983878 /nfs/dbraw/zinc/98/38/78/818983878.db2.gz RAKAGNKBHDIPIN-FXAWDEMLSA-N 2 1 290.410 3.052 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033595 818984240 /nfs/dbraw/zinc/98/42/40/818984240.db2.gz ZRSDBXVMIVMPIY-DLBZAZTESA-N 2 1 264.457 3.444 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235041864 818987732 /nfs/dbraw/zinc/98/77/32/818987732.db2.gz UHPJMLJLPIIOMP-QGZVFWFLSA-N 2 1 258.409 3.103 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040513 818987832 /nfs/dbraw/zinc/98/78/32/818987832.db2.gz LEXVQIYJFBHVGV-INIZCTEOSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040513 818987837 /nfs/dbraw/zinc/98/78/37/818987837.db2.gz LEXVQIYJFBHVGV-INIZCTEOSA-N 2 1 278.827 3.448 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042190 818988327 /nfs/dbraw/zinc/98/83/27/818988327.db2.gz VSSUNSIBJOJBJX-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP CCCCc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)s1 ZINC001235105414 819004502 /nfs/dbraw/zinc/00/45/02/819004502.db2.gz CYNOBQTXNVWUDF-UHFFFAOYSA-N 2 1 278.465 3.419 20 0 CGADMP CC(C)(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001235109387 819005485 /nfs/dbraw/zinc/00/54/85/819005485.db2.gz CUWPPVFZIKXAEY-GOSISDBHSA-N 2 1 272.436 3.182 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001235109387 819005492 /nfs/dbraw/zinc/00/54/92/819005492.db2.gz CUWPPVFZIKXAEY-GOSISDBHSA-N 2 1 272.436 3.182 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235168780 819021336 /nfs/dbraw/zinc/02/13/36/819021336.db2.gz UOXZKFBOCKGPBD-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235168780 819021339 /nfs/dbraw/zinc/02/13/39/819021339.db2.gz UOXZKFBOCKGPBD-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP COc1cc(C)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235188898 819029021 /nfs/dbraw/zinc/02/90/21/819029021.db2.gz BDKUGZVPTKAEDC-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235189868 819029140 /nfs/dbraw/zinc/02/91/40/819029140.db2.gz GBLYOQRKXVXZFQ-UHFFFAOYSA-N 2 1 290.426 3.366 20 0 CGADMP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235211511 819036474 /nfs/dbraw/zinc/03/64/74/819036474.db2.gz WVSROFMGXAGMMX-BWTSREIZSA-N 2 1 294.398 3.176 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(Oc4ccc(F)cc4)cc3)C[C@H]21 ZINC001235210529 819036618 /nfs/dbraw/zinc/03/66/18/819036618.db2.gz LNSYYEODZQMRST-PIIMJCKOSA-N 2 1 298.361 3.007 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(Oc4ccc(F)cc4)cc3)C[C@H]21 ZINC001235210529 819036624 /nfs/dbraw/zinc/03/66/24/819036624.db2.gz LNSYYEODZQMRST-PIIMJCKOSA-N 2 1 298.361 3.007 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccncc3)cc1)C2 ZINC001235244809 819046951 /nfs/dbraw/zinc/04/69/51/819046951.db2.gz LEOBXWXPOLGMIU-RTBURBONSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccncc3)cc1)C2 ZINC001235244809 819046956 /nfs/dbraw/zinc/04/69/56/819046956.db2.gz LEOBXWXPOLGMIU-RTBURBONSA-N 2 1 293.414 3.062 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235253089 819049548 /nfs/dbraw/zinc/04/95/48/819049548.db2.gz BUTFXASKGCYJIJ-JGPFYOFESA-N 2 1 250.430 3.197 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Oc2ccccc2)cc1 ZINC001235253220 819049846 /nfs/dbraw/zinc/04/98/46/819049846.db2.gz CMUZAWSGZGGKFF-BXWFABGCSA-N 2 1 294.398 3.400 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235252891 819050126 /nfs/dbraw/zinc/05/01/26/819050126.db2.gz ADEJWSPFBKRIMP-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2ccccc2)c1 ZINC001235256960 819053329 /nfs/dbraw/zinc/05/33/29/819053329.db2.gz VFAKIPKPNLEYRT-FHWLQOOXSA-N 2 1 278.399 3.275 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235262765 819055494 /nfs/dbraw/zinc/05/54/94/819055494.db2.gz SJMAQWHGUCLIFH-WFASDCNBSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235262765 819055497 /nfs/dbraw/zinc/05/54/97/819055497.db2.gz SJMAQWHGUCLIFH-WFASDCNBSA-N 2 1 272.417 3.003 20 0 CGADMP Clc1ccc(CCC[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001235262393 819056078 /nfs/dbraw/zinc/05/60/78/819056078.db2.gz QTTQTHMNHVJYCC-WFASDCNBSA-N 2 1 299.245 3.220 20 0 CGADMP Clc1ccc(CCC[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001235262393 819056086 /nfs/dbraw/zinc/05/60/86/819056086.db2.gz QTTQTHMNHVJYCC-WFASDCNBSA-N 2 1 299.245 3.220 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235273345 819058786 /nfs/dbraw/zinc/05/87/86/819058786.db2.gz RHVXDVXXHMQNTJ-VQIMIIECSA-N 2 1 280.415 3.332 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235341191 819072590 /nfs/dbraw/zinc/07/25/90/819072590.db2.gz OYNYQEXOEGLMSP-INIZCTEOSA-N 2 1 286.463 3.416 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](C[C@H]2CC=CCC2)C3)cc1 ZINC001235377134 819081488 /nfs/dbraw/zinc/08/14/88/819081488.db2.gz ANLVTOGTFVPATP-SXLOBPIMSA-N 2 1 296.458 3.422 20 0 CGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235400430 819084220 /nfs/dbraw/zinc/08/42/20/819084220.db2.gz CXOVVLLSYMHSOZ-OALUTQOASA-N 2 1 298.405 3.363 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235403728 819085550 /nfs/dbraw/zinc/08/55/50/819085550.db2.gz LGPCBQZXGJXYIF-QZTJIDSGSA-N 2 1 290.426 3.334 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235403728 819085557 /nfs/dbraw/zinc/08/55/57/819085557.db2.gz LGPCBQZXGJXYIF-QZTJIDSGSA-N 2 1 290.426 3.334 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235408949 819087432 /nfs/dbraw/zinc/08/74/32/819087432.db2.gz VJKUKSFVURLDQQ-ROUUACIJSA-N 2 1 290.426 3.334 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235407560 819088265 /nfs/dbraw/zinc/08/82/65/819088265.db2.gz SMTCHYMUOGQDOG-ULQDDVLXSA-N 2 1 282.447 3.392 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422238 819093496 /nfs/dbraw/zinc/09/34/96/819093496.db2.gz AJSGPSISANRZIX-WBVHZDCISA-N 2 1 290.426 3.346 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429829 819094022 /nfs/dbraw/zinc/09/40/22/819094022.db2.gz ROHYSTOQCYUMDB-RTBURBONSA-N 2 1 286.463 3.461 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC001235428971 819094345 /nfs/dbraw/zinc/09/43/45/819094345.db2.gz VZYAVEIHLCGMCR-JKSUJKDBSA-N 2 1 290.426 3.346 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC001235433594 819095979 /nfs/dbraw/zinc/09/59/79/819095979.db2.gz HDPCMMBKWYDKMR-NVXWUHKLSA-N 2 1 292.854 3.375 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001235432893 819096482 /nfs/dbraw/zinc/09/64/82/819096482.db2.gz AGTBMKBHRLOBDI-UHFFFAOYSA-N 2 1 290.451 3.153 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+](C)CCC[NH3+])cc2)cc1 ZINC001235435095 819098588 /nfs/dbraw/zinc/09/85/88/819098588.db2.gz AFSVTBLWCWLMPT-UHFFFAOYSA-N 2 1 268.404 3.443 20 0 CGADMP CCCCc1ccc(C[N@H+](C)C2CC[NH2+]CC2)s1 ZINC001235471350 819106290 /nfs/dbraw/zinc/10/62/90/819106290.db2.gz DWVGFXYPMPEWGI-UHFFFAOYSA-N 2 1 266.454 3.275 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)s1 ZINC001235471350 819106296 /nfs/dbraw/zinc/10/62/96/819106296.db2.gz DWVGFXYPMPEWGI-UHFFFAOYSA-N 2 1 266.454 3.275 20 0 CGADMP c1ccc(CCC2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235677040 819136530 /nfs/dbraw/zinc/13/65/30/819136530.db2.gz WKEJTPVWCMYUDD-IBGZPJMESA-N 2 1 286.463 3.473 20 0 CGADMP c1ccc(CCC2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235677043 819137383 /nfs/dbraw/zinc/13/73/83/819137383.db2.gz WKEJTPVWCMYUDD-LJQANCHMSA-N 2 1 286.463 3.473 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)nc1 ZINC001235705668 819146968 /nfs/dbraw/zinc/14/69/68/819146968.db2.gz MUFUJBDHEXMFDQ-MRXNPFEDSA-N 2 1 287.451 3.183 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001235711525 819148733 /nfs/dbraw/zinc/14/87/33/819148733.db2.gz QEEBXWFZYYYCKF-UHFFFAOYSA-N 2 1 296.414 3.034 20 0 CGADMP COc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001235711525 819148734 /nfs/dbraw/zinc/14/87/34/819148734.db2.gz QEEBXWFZYYYCKF-UHFFFAOYSA-N 2 1 296.414 3.034 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccsc1Cl ZINC001235717110 819150290 /nfs/dbraw/zinc/15/02/90/819150290.db2.gz DNIWLLSSJRTKNU-UHFFFAOYSA-N 2 1 272.845 3.223 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1F ZINC001235717993 819152396 /nfs/dbraw/zinc/15/23/96/819152396.db2.gz RHPYIIPILUBXSE-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC3(CCCC3)C1)CC[NH2+]C2 ZINC001235724185 819153397 /nfs/dbraw/zinc/15/33/97/819153397.db2.gz DCLJJBJPJXIKKY-UHFFFAOYSA-N 2 1 270.420 3.098 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001235726500 819154625 /nfs/dbraw/zinc/15/46/25/819154625.db2.gz QRHCFAKKTHUOPR-UHFFFAOYSA-N 2 1 268.404 3.414 20 0 CGADMP CCCCOc1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)cc1 ZINC001235762561 819163446 /nfs/dbraw/zinc/16/34/46/819163446.db2.gz WETLJSCIOIZKGX-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CCOc1ccc2ccccc2c1C[NH+]1CCC([NH2+]C)CC1 ZINC001235789700 819169488 /nfs/dbraw/zinc/16/94/88/819169488.db2.gz WIMWEZVAYFTLRZ-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP C[N@H+](CCc1cccc(Cl)c1)CC[C@H]1CCCC[NH2+]1 ZINC001235839016 819182061 /nfs/dbraw/zinc/18/20/61/819182061.db2.gz GWXMBEAXXLJHQE-MRXNPFEDSA-N 2 1 280.843 3.347 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c(C)c1C ZINC001235842834 819185103 /nfs/dbraw/zinc/18/51/03/819185103.db2.gz RVPBUGHUBHYIGG-KRWDZBQOSA-N 2 1 274.452 3.270 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235924909 819223023 /nfs/dbraw/zinc/22/30/23/819223023.db2.gz BXPYAMTUTOTDOI-INIZCTEOSA-N 2 1 260.425 3.297 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235925253 819224130 /nfs/dbraw/zinc/22/41/30/819224130.db2.gz MZAQMFNHMAGXRH-VNQPRFMTSA-N 2 1 278.827 3.257 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235925334 819224353 /nfs/dbraw/zinc/22/43/53/819224353.db2.gz IALPCHCFLRPXAC-KRWDZBQOSA-N 2 1 258.409 3.267 20 0 CGADMP Clc1ccc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235929787 819227905 /nfs/dbraw/zinc/22/79/05/819227905.db2.gz UBNKQHVXTJEOHY-QWHCGFSZSA-N 2 1 299.245 3.077 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001235935232 819230763 /nfs/dbraw/zinc/23/07/63/819230763.db2.gz RGJAKDGJCBOFFC-QGZVFWFLSA-N 2 1 284.378 3.274 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235937561 819231956 /nfs/dbraw/zinc/23/19/56/819231956.db2.gz IUHYDBGEDXGDBK-UONOGXRCSA-N 2 1 286.444 3.251 20 0 CGADMP Fc1cccc2c(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cccc12 ZINC001235938620 819232284 /nfs/dbraw/zinc/23/22/84/819232284.db2.gz LOHLDMRDCINLPD-ZFWWWQNUSA-N 2 1 284.378 3.020 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)c1 ZINC001235935448 819232978 /nfs/dbraw/zinc/23/29/78/819232978.db2.gz DQDSDGWRJWOCSO-DLBZAZTESA-N 2 1 298.455 3.456 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+](CC[NH3+])C(C)C ZINC001235948463 819237895 /nfs/dbraw/zinc/23/78/95/819237895.db2.gz WYPSRUPIFWAALV-UHFFFAOYSA-N 2 1 256.393 3.317 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+](CC[NH3+])C(C)C ZINC001235948463 819237900 /nfs/dbraw/zinc/23/79/00/819237900.db2.gz WYPSRUPIFWAALV-UHFFFAOYSA-N 2 1 256.393 3.317 20 0 CGADMP CCCCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001235950317 819240560 /nfs/dbraw/zinc/24/05/60/819240560.db2.gz AMMJFDDAIMXJSU-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001235958415 819245546 /nfs/dbraw/zinc/24/55/46/819245546.db2.gz DUECEHHFOJXJGV-JJLQDPRZSA-N 2 1 299.245 3.205 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001235958415 819245550 /nfs/dbraw/zinc/24/55/50/819245550.db2.gz DUECEHHFOJXJGV-JJLQDPRZSA-N 2 1 299.245 3.205 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235958951 819247410 /nfs/dbraw/zinc/24/74/10/819247410.db2.gz CLOYIVBNGXSWEU-UHFFFAOYSA-N 2 1 286.463 3.461 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235981663 819257997 /nfs/dbraw/zinc/25/79/97/819257997.db2.gz XDNLBMSVAANFFI-LZQZEXGQSA-N 2 1 286.463 3.412 20 0 CGADMP CC/C=C\CCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012456 819275149 /nfs/dbraw/zinc/27/51/49/819275149.db2.gz LOLHNSDSPDFBIJ-QVOQXLMASA-N 2 1 284.447 3.206 20 0 CGADMP c1cc2n(c1C[N@H+]1CCC[C@@H]1C1CCCCC1)CC[NH2+]C2 ZINC001236042569 819280437 /nfs/dbraw/zinc/28/04/37/819280437.db2.gz RCNRPAIYMJDEIT-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCCCCc2ccccc2)C1 ZINC001236045932 819283655 /nfs/dbraw/zinc/28/36/55/819283655.db2.gz YIBVVASMMVNVAO-NVXWUHKLSA-N 2 1 260.425 3.069 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)sc3ccccc32)C1 ZINC001236067174 819298108 /nfs/dbraw/zinc/29/81/08/819298108.db2.gz MXNONKKPNKAGEE-CYBMUJFWSA-N 2 1 274.433 3.251 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)c(OC(C)C)c(C)c2)C1 ZINC001236068434 819299216 /nfs/dbraw/zinc/29/92/16/819299216.db2.gz SQCWNBKHNXOKMX-MRXNPFEDSA-N 2 1 290.451 3.132 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236068869 819299273 /nfs/dbraw/zinc/29/92/73/819299273.db2.gz XXPHYRLKNLDXDX-MRXNPFEDSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236094369 819312252 /nfs/dbraw/zinc/31/22/52/819312252.db2.gz SMWBGNFUACPDIQ-RKVPGOIHSA-N 2 1 288.479 3.442 20 0 CGADMP CSc1ccccc1[C@@H]1CCC[N@H+]1CCCC[NH3+] ZINC001236107698 819324525 /nfs/dbraw/zinc/32/45/25/819324525.db2.gz AJKDFBGGZISSAF-AWEZNQCLSA-N 2 1 264.438 3.284 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)c(OC)c1)C1CC[NH2+]CC1 ZINC001236182235 819359441 /nfs/dbraw/zinc/35/94/41/819359441.db2.gz HWMOFWUJAMJMOY-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236188991 819362075 /nfs/dbraw/zinc/36/20/75/819362075.db2.gz HFZVSBVOQQJPEX-RDTXWAMCSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236188991 819362083 /nfs/dbraw/zinc/36/20/83/819362083.db2.gz HFZVSBVOQQJPEX-RDTXWAMCSA-N 2 1 283.419 3.447 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2OC(C)C)CC1 ZINC001236213765 819376205 /nfs/dbraw/zinc/37/62/05/819376205.db2.gz VHVZPCDKYAUQRE-UHFFFAOYSA-N 2 1 290.451 3.436 20 0 CGADMP C[N@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214594 819376216 /nfs/dbraw/zinc/37/62/16/819376216.db2.gz GKUVAYQVGORPIK-GJZGRUSLSA-N 2 1 276.355 3.274 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214594 819376225 /nfs/dbraw/zinc/37/62/25/819376225.db2.gz GKUVAYQVGORPIK-GJZGRUSLSA-N 2 1 276.355 3.274 20 0 CGADMP C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213752 819377197 /nfs/dbraw/zinc/37/71/97/819377197.db2.gz BFXLWBXRQMMMPV-ROUUACIJSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213752 819377202 /nfs/dbraw/zinc/37/72/02/819377202.db2.gz BFXLWBXRQMMMPV-ROUUACIJSA-N 2 1 284.403 3.247 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC001236217371 819382284 /nfs/dbraw/zinc/38/22/84/819382284.db2.gz OQPZZYUGEBVWBN-DLBZAZTESA-N 2 1 290.451 3.322 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC001236217371 819382292 /nfs/dbraw/zinc/38/22/92/819382292.db2.gz OQPZZYUGEBVWBN-DLBZAZTESA-N 2 1 290.451 3.322 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1OC(C)C ZINC001236219764 819385344 /nfs/dbraw/zinc/38/53/44/819385344.db2.gz XIVJCHKAIRGXKT-IAGOWNOFSA-N 2 1 290.451 3.484 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1OC(C)C ZINC001236219764 819385347 /nfs/dbraw/zinc/38/53/47/819385347.db2.gz XIVJCHKAIRGXKT-IAGOWNOFSA-N 2 1 290.451 3.484 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccn2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219132 819387002 /nfs/dbraw/zinc/38/70/02/819387002.db2.gz UZDXLUXFOGWXNS-IEBWSBKVSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccn2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219132 819387007 /nfs/dbraw/zinc/38/70/07/819387007.db2.gz UZDXLUXFOGWXNS-IEBWSBKVSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@H+](Cc1cccc(F)c1F)CC1CC2(C1)CC[NH2+]CC2 ZINC001236239072 819397852 /nfs/dbraw/zinc/39/78/52/819397852.db2.gz AMAYONVOGGCTMZ-UHFFFAOYSA-N 2 1 294.389 3.176 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(F)c1F ZINC001236240768 819399290 /nfs/dbraw/zinc/39/92/90/819399290.db2.gz MKAGRMCUBFZBJA-CYBMUJFWSA-N 2 1 282.378 3.176 20 0 CGADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2occc21 ZINC001236320392 819424924 /nfs/dbraw/zinc/42/49/24/819424924.db2.gz GFMUWVHVWCVNKT-BETUJISGSA-N 2 1 288.366 3.003 20 0 CGADMP CC[N@@H+](CCCCCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236407554 819454739 /nfs/dbraw/zinc/45/47/39/819454739.db2.gz GSUCUVMNWYAZHK-GOSISDBHSA-N 2 1 274.452 3.331 20 0 CGADMP CC[N@@H+](CCC(C)(C)c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236407182 819454881 /nfs/dbraw/zinc/45/48/81/819454881.db2.gz CZGFYODCIPYWSW-MRXNPFEDSA-N 2 1 274.452 3.286 20 0 CGADMP CC(C)c1cc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Cl ZINC001236413311 819458713 /nfs/dbraw/zinc/45/87/13/819458713.db2.gz OAXWOQWBSGKJGY-FOLVSLTJSA-N 2 1 278.827 3.113 20 0 CGADMP CC(C)c1cc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Cl ZINC001236413311 819458716 /nfs/dbraw/zinc/45/87/16/819458716.db2.gz OAXWOQWBSGKJGY-FOLVSLTJSA-N 2 1 278.827 3.113 20 0 CGADMP CC[N@H+](Cc1cccc2sccc21)C[C@H]1CC[NH2+]C1 ZINC001236411705 819458793 /nfs/dbraw/zinc/45/87/93/819458793.db2.gz ONIATSYLGQZQNC-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(C)c(C)c(C)c(C)c1C ZINC001236417766 819463286 /nfs/dbraw/zinc/46/32/86/819463286.db2.gz SHLQQKXWVFFABR-QGZVFWFLSA-N 2 1 274.452 3.413 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(C)c(C)c(C)c(C)c1C ZINC001236417766 819463289 /nfs/dbraw/zinc/46/32/89/819463289.db2.gz SHLQQKXWVFFABR-QGZVFWFLSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC001236422298 819469132 /nfs/dbraw/zinc/46/91/32/819469132.db2.gz FOBVBQJUYINFMW-KRWDZBQOSA-N 2 1 290.451 3.489 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H](C)CCC=C(C)C ZINC001236422016 819469701 /nfs/dbraw/zinc/46/97/01/819469701.db2.gz XQMAPSCYFJSBKS-JKSUJKDBSA-N 2 1 252.446 3.443 20 0 CGADMP C[NH+](C)Cc1cccc(-c2ccc3c(c2)CC[N@H+](C)C3)c1 ZINC001236426153 819472482 /nfs/dbraw/zinc/47/24/82/819472482.db2.gz UJZIFSYBSJYIAW-UHFFFAOYSA-N 2 1 280.415 3.403 20 0 CGADMP CC1(C[N@@H+](Cc2ccccc2)C2CCC2)CC[NH2+]CC1 ZINC001236441448 819480744 /nfs/dbraw/zinc/48/07/44/819480744.db2.gz KASFAELYTWVZFU-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP CC(C)(C)C[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH2+]CC1 ZINC001236455720 819484891 /nfs/dbraw/zinc/48/48/91/819484891.db2.gz YEFOOKADYDBGQF-ARFHVFGLSA-N 2 1 276.468 3.299 20 0 CGADMP CC(C)[N@H+](Cc1ccc2ccn(C)c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236467433 819488391 /nfs/dbraw/zinc/48/83/91/819488391.db2.gz DESAHGLLZYECLA-QGZVFWFLSA-N 2 1 285.435 3.141 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2ccn(C)c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236467433 819488394 /nfs/dbraw/zinc/48/83/94/819488394.db2.gz DESAHGLLZYECLA-QGZVFWFLSA-N 2 1 285.435 3.141 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001236552540 819535576 /nfs/dbraw/zinc/53/55/76/819535576.db2.gz RVMRBQPCIKPMKU-PNKHAZJDSA-N 2 1 274.452 3.181 20 0 CGADMP Fc1ccccc1CCC[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634007 819557220 /nfs/dbraw/zinc/55/72/20/819557220.db2.gz OKNJKHHHOFQSFJ-UHFFFAOYSA-N 2 1 290.426 3.365 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c4ccccc34)C[C@@H]12 ZINC001236819840 819606614 /nfs/dbraw/zinc/60/66/14/819606614.db2.gz OLHWCTUEQIDSRR-MZMPZRCHSA-N 2 1 284.378 3.148 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)CC(C)(C)C ZINC001236820379 819608413 /nfs/dbraw/zinc/60/84/13/819608413.db2.gz RNPUFUKZYLKTPS-QPSCCSFWSA-N 2 1 252.446 3.118 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236821522 819608633 /nfs/dbraw/zinc/60/86/33/819608633.db2.gz VJISMUCPVUUWIG-CAOSSQGBSA-N 2 1 250.430 3.038 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)cc1Cl ZINC001236829535 819609881 /nfs/dbraw/zinc/60/98/81/819609881.db2.gz LDDATUXNHRGKRQ-JVLSTEMRSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)cc1Cl ZINC001236829535 819609883 /nfs/dbraw/zinc/60/98/83/819609883.db2.gz LDDATUXNHRGKRQ-JVLSTEMRSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)o1 ZINC001236833539 819613644 /nfs/dbraw/zinc/61/36/44/819613644.db2.gz YZAMUTVTJSVDMC-KSZLIROESA-N 2 1 296.414 3.424 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236835967 819614762 /nfs/dbraw/zinc/61/47/62/819614762.db2.gz RIKQSZIVLMWBIJ-HNNXBMFYSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@@H+](Cc1cccc(Cl)c1F)C[C@H]1CC[NH2+]C1 ZINC001236836473 819616447 /nfs/dbraw/zinc/61/64/47/819616447.db2.gz VVKVOXQACVWXGU-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1F)C[C@H]1CC[NH2+]C1 ZINC001236836473 819616450 /nfs/dbraw/zinc/61/64/50/819616450.db2.gz VVKVOXQACVWXGU-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1cc(O)cc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236843200 819618471 /nfs/dbraw/zinc/61/84/71/819618471.db2.gz LPFMPBQTSFMIIE-HNNXBMFYSA-N 2 1 298.430 3.367 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)cs1)C[C@H]1CC[NH2+]C1 ZINC001236843896 819619661 /nfs/dbraw/zinc/61/96/61/819619661.db2.gz SCTFPHSYFPOKFJ-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP c1ccc2c(c1)cccc2[C@@H]1CSCC[N@H+]1CC1C[NH2+]C1 ZINC001236999106 819643288 /nfs/dbraw/zinc/64/32/88/819643288.db2.gz IDRPLIVXTPQQKD-SFHVURJKSA-N 2 1 298.455 3.149 20 0 CGADMP c1ccc2c(c1)cccc2[C@@H]1CSCC[N@@H+]1CC1C[NH2+]C1 ZINC001236999106 819643291 /nfs/dbraw/zinc/64/32/91/819643291.db2.gz IDRPLIVXTPQQKD-SFHVURJKSA-N 2 1 298.455 3.149 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237083858 819663498 /nfs/dbraw/zinc/66/34/98/819663498.db2.gz YVGPWSGAOQZEBO-GOSISDBHSA-N 2 1 290.451 3.343 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237083858 819663502 /nfs/dbraw/zinc/66/35/02/819663502.db2.gz YVGPWSGAOQZEBO-GOSISDBHSA-N 2 1 290.451 3.343 20 0 CGADMP c1cc2cccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2[nH]1 ZINC001237158453 819684791 /nfs/dbraw/zinc/68/47/91/819684791.db2.gz YJMQTIUKPVNVPR-QGZVFWFLSA-N 2 1 283.419 3.274 20 0 CGADMP c1cc2cccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2[nH]1 ZINC001237158453 819684793 /nfs/dbraw/zinc/68/47/93/819684793.db2.gz YJMQTIUKPVNVPR-QGZVFWFLSA-N 2 1 283.419 3.274 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266581 819712706 /nfs/dbraw/zinc/71/27/06/819712706.db2.gz XENPHOVFLYCWNC-HIFRSBDPSA-N 2 1 276.424 3.000 20 0 CGADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266581 819712712 /nfs/dbraw/zinc/71/27/12/819712712.db2.gz XENPHOVFLYCWNC-HIFRSBDPSA-N 2 1 276.424 3.000 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237264428 819712749 /nfs/dbraw/zinc/71/27/49/819712749.db2.gz HIIZJAYVPHFSOG-MRXNPFEDSA-N 2 1 290.451 3.263 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237379942 819738785 /nfs/dbraw/zinc/73/87/85/819738785.db2.gz DWUGXATUXGORTH-OALUTQOASA-N 2 1 280.415 3.414 20 0 CGADMP Clc1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384370 819740706 /nfs/dbraw/zinc/74/07/06/819740706.db2.gz VVJWPQFCXFGDJL-RDJZCZTQSA-N 2 1 292.854 3.347 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)c1 ZINC001237407555 819745938 /nfs/dbraw/zinc/74/59/38/819745938.db2.gz YAJOPDJIXCXVDO-PKOBYXMFSA-N 2 1 295.430 3.051 20 0 CGADMP Oc1cc2ccccc2c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412362 819747145 /nfs/dbraw/zinc/74/71/45/819747145.db2.gz IEOIPZDCHOJJLM-DNVCBOLYSA-N 2 1 296.414 3.119 20 0 CGADMP Oc1cc2ccccc2c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412362 819747148 /nfs/dbraw/zinc/74/71/48/819747148.db2.gz IEOIPZDCHOJJLM-DNVCBOLYSA-N 2 1 296.414 3.119 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237412120 819747424 /nfs/dbraw/zinc/74/74/24/819747424.db2.gz FYEJEYDVMHBBAQ-QZTJIDSGSA-N 2 1 270.420 3.138 20 0 CGADMP Cc1ccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cccc2n1 ZINC001237418047 819749606 /nfs/dbraw/zinc/74/96/06/819749606.db2.gz XJLLTAOSOBESIE-FUHWJXTLSA-N 2 1 295.430 3.117 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc21 ZINC001237876678 819866290 /nfs/dbraw/zinc/86/62/90/819866290.db2.gz HCJDXKNHPKEREX-IYBDPMFKSA-N 2 1 268.404 3.140 20 0 CGADMP CCCC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238114299 819938856 /nfs/dbraw/zinc/93/88/56/819938856.db2.gz RESZLZRKJIYKMD-UHFFFAOYSA-N 2 1 257.381 3.346 20 0 CGADMP C[NH+](C)Cc1ccccc1-c1ccc2c(c1)C[N@H+](C)CC2 ZINC001239686369 820522753 /nfs/dbraw/zinc/52/27/53/820522753.db2.gz PLESGFVTHYXOMD-UHFFFAOYSA-N 2 1 280.415 3.403 20 0 CGADMP [NH3+]CCc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001240387457 821012636 /nfs/dbraw/zinc/01/26/36/821012636.db2.gz RCTUDSKOPWSBRG-UHFFFAOYSA-N 2 1 292.426 3.477 20 0 CGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(C2=CC[NH2+]CC2)nc1 ZINC001240466348 821075875 /nfs/dbraw/zinc/07/58/75/821075875.db2.gz DNERCCSGFQKFII-GOSISDBHSA-N 2 1 285.435 3.395 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1[C@H](C)[NH3+] ZINC001241248599 821669841 /nfs/dbraw/zinc/66/98/41/821669841.db2.gz RZOWLSSSFOVGAJ-LBPRGKRZSA-N 2 1 255.365 3.143 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001241250467 821671917 /nfs/dbraw/zinc/67/19/17/821671917.db2.gz KVEIQSNBZOBZDX-INIZCTEOSA-N 2 1 267.376 3.069 20 0 CGADMP COc1ccc(C)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241674405 822058023 /nfs/dbraw/zinc/05/80/23/822058023.db2.gz ZLCFUWPZLPOZTR-UHFFFAOYSA-N 2 1 293.370 3.005 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccccc1C[NH+]1CCCC1 ZINC001242084914 822341779 /nfs/dbraw/zinc/34/17/79/822341779.db2.gz CRANTPCXVZTZGA-UHFFFAOYSA-N 2 1 267.376 3.235 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001340513125 936407282 /nfs/dbraw/zinc/40/72/82/936407282.db2.gz FQSNPYNNAKUYPV-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC001343904700 936517877 /nfs/dbraw/zinc/51/78/77/936517877.db2.gz GRBQMWUIOVGCIG-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC001343904700 936517878 /nfs/dbraw/zinc/51/78/78/936517878.db2.gz GRBQMWUIOVGCIG-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(Br)s1 ZINC001348852752 936936382 /nfs/dbraw/zinc/93/63/82/936936382.db2.gz OMTYPVAUAVUJAT-RKDXNWHRSA-N 2 1 291.258 3.159 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001349546184 936952033 /nfs/dbraw/zinc/95/20/33/936952033.db2.gz VQFRXWULARERAX-MQMHXKEQSA-N 2 1 298.390 3.341 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C2CCCC2)C1 ZINC001473886756 937202423 /nfs/dbraw/zinc/20/24/23/937202423.db2.gz IONSESLNGKLNHK-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000399016576 928805635 /nfs/dbraw/zinc/80/56/35/928805635.db2.gz CEFFQKXZAWHAOW-LLVKDONJSA-N 2 1 279.255 3.034 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC001460559491 937534784 /nfs/dbraw/zinc/53/47/84/937534784.db2.gz HYCSZRYKPHRVJV-TVFCKZIOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC001460559491 937534785 /nfs/dbraw/zinc/53/47/85/937534785.db2.gz HYCSZRYKPHRVJV-TVFCKZIOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001460559491 937534787 /nfs/dbraw/zinc/53/47/87/937534787.db2.gz HYCSZRYKPHRVJV-TVFCKZIOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC001460559491 937534789 /nfs/dbraw/zinc/53/47/89/937534789.db2.gz HYCSZRYKPHRVJV-TVFCKZIOSA-N 2 1 278.484 3.476 20 0 CGADMP Cc1cc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)oc2cc1C ZINC001461183489 937568832 /nfs/dbraw/zinc/56/88/32/937568832.db2.gz SSQHVRBKZCWWCQ-HNNXBMFYSA-N 2 1 286.419 3.481 20 0 CGADMP Cc1cc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)oc2cc1C ZINC001461183489 937568835 /nfs/dbraw/zinc/56/88/35/937568835.db2.gz SSQHVRBKZCWWCQ-HNNXBMFYSA-N 2 1 286.419 3.481 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461487517 937582943 /nfs/dbraw/zinc/58/29/43/937582943.db2.gz LKHFBOPMRQZZCH-CRAIPNDOSA-N 2 1 274.452 3.252 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461487517 937582946 /nfs/dbraw/zinc/58/29/46/937582946.db2.gz LKHFBOPMRQZZCH-CRAIPNDOSA-N 2 1 274.452 3.252 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](Oc2ccc(F)cc2C[NH+](C)C)C1 ZINC001229858134 932495591 /nfs/dbraw/zinc/49/55/91/932495591.db2.gz GSBIJJPPMGTSOK-INIZCTEOSA-N 2 1 294.414 3.139 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1CCC2 ZINC001461870349 937602869 /nfs/dbraw/zinc/60/28/69/937602869.db2.gz DJRKONVMCKHIPO-MSOLQXFVSA-N 2 1 284.447 3.234 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@](C)(CC)OC)CC1 ZINC001461925584 937606769 /nfs/dbraw/zinc/60/67/69/937606769.db2.gz FOXHAKXKPSIOOU-KRWDZBQOSA-N 2 1 284.488 3.245 20 0 CGADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC001462103423 937618252 /nfs/dbraw/zinc/61/82/52/937618252.db2.gz ZUOYZWRMBMEONY-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC001462188298 937624092 /nfs/dbraw/zinc/62/40/92/937624092.db2.gz BWFSHEMWVGDFID-CHWSQXEVSA-N 2 1 280.378 3.427 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001462201006 937623145 /nfs/dbraw/zinc/62/31/45/937623145.db2.gz RWUNDDNZPHVLEC-MUJYYYPQSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccc(CC[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1C ZINC001462330455 937633081 /nfs/dbraw/zinc/63/30/81/937633081.db2.gz YZNLPUSPPAZMOO-GOSISDBHSA-N 2 1 274.452 3.167 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCc1ccc(F)cc1 ZINC001337412758 932836068 /nfs/dbraw/zinc/83/60/68/932836068.db2.gz GEVYHHUOPSABLC-QGZVFWFLSA-N 2 1 278.415 3.222 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCc1ccc(F)cc1 ZINC001337412758 932836071 /nfs/dbraw/zinc/83/60/71/932836071.db2.gz GEVYHHUOPSABLC-QGZVFWFLSA-N 2 1 278.415 3.222 20 0 CGADMP C[C@H]1C[N@@H+](CC2(C)CCCC2)CCN1c1cc[nH+]cc1 ZINC001462551626 937649792 /nfs/dbraw/zinc/64/97/92/937649792.db2.gz WTDBYIYNQYROCG-HNNXBMFYSA-N 2 1 273.424 3.172 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCc1scnc1C ZINC001307954037 933025031 /nfs/dbraw/zinc/02/50/31/933025031.db2.gz HULAAQMXIXIOBU-UHFFFAOYSA-N 2 1 283.485 3.094 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCc1scnc1C ZINC001307954037 933025033 /nfs/dbraw/zinc/02/50/33/933025033.db2.gz HULAAQMXIXIOBU-UHFFFAOYSA-N 2 1 283.485 3.094 20 0 CGADMP CCCC[N@H+](CC1=NOCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307968642 933026569 /nfs/dbraw/zinc/02/65/69/933026569.db2.gz WVIALEACRRAYMB-UHFFFAOYSA-N 2 1 295.471 3.174 20 0 CGADMP CCCC[N@@H+](CC1=NOCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307968642 933026573 /nfs/dbraw/zinc/02/65/73/933026573.db2.gz WVIALEACRRAYMB-UHFFFAOYSA-N 2 1 295.471 3.174 20 0 CGADMP CC(C)c1ncc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC001308185758 933068255 /nfs/dbraw/zinc/06/82/55/933068255.db2.gz HWTFALKONVOETR-UHFFFAOYSA-N 2 1 281.469 3.232 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001308209914 933072073 /nfs/dbraw/zinc/07/20/73/933072073.db2.gz XAXMCQHDYZYXMW-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC001308252458 933082017 /nfs/dbraw/zinc/08/20/17/933082017.db2.gz UFWYLWAAPPUGSA-SJORKVTESA-N 2 1 294.483 3.047 20 0 CGADMP CCOc1cc(F)cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001308292851 933089428 /nfs/dbraw/zinc/08/94/28/933089428.db2.gz OPKFYLGPTQKDHA-HOTGVXAUSA-N 2 1 294.414 3.187 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001308422442 933109377 /nfs/dbraw/zinc/10/93/77/933109377.db2.gz KHABETORERGZIW-CABCVRRESA-N 2 1 275.440 3.454 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568260 933135394 /nfs/dbraw/zinc/13/53/94/933135394.db2.gz CPJUNJXYVBSCDV-DOTOQJQBSA-N 2 1 299.462 3.483 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568260 933135396 /nfs/dbraw/zinc/13/53/96/933135396.db2.gz CPJUNJXYVBSCDV-DOTOQJQBSA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568260 933135399 /nfs/dbraw/zinc/13/53/99/933135399.db2.gz CPJUNJXYVBSCDV-DOTOQJQBSA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568260 933135401 /nfs/dbraw/zinc/13/54/01/933135401.db2.gz CPJUNJXYVBSCDV-DOTOQJQBSA-N 2 1 299.462 3.483 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC001308847606 933188990 /nfs/dbraw/zinc/18/89/90/933188990.db2.gz LKENQOJGCUWKGF-HZPDHXFCSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001308976731 933219445 /nfs/dbraw/zinc/21/94/45/933219445.db2.gz BIHXHAYGJREJRR-ZBRFXRBCSA-N 2 1 278.484 3.475 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC001320292259 934026072 /nfs/dbraw/zinc/02/60/72/934026072.db2.gz NSYJWICFSYEEPK-ZGUYJTEBSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCC[C@H]1[NH+](C)C)c1ccc(F)cc1 ZINC001320562799 934067553 /nfs/dbraw/zinc/06/75/53/934067553.db2.gz OPGBFHKDLWFBBD-XOKHGSTOSA-N 2 1 278.415 3.392 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001322641930 934322135 /nfs/dbraw/zinc/32/21/35/934322135.db2.gz FAWBCCRNOMFKFJ-XOKHGSTOSA-N 2 1 278.415 3.219 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001323474971 934399776 /nfs/dbraw/zinc/39/97/76/934399776.db2.gz FSCGYBBFFUZXHO-BHYGNILZSA-N 2 1 288.435 3.015 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001323596060 934410242 /nfs/dbraw/zinc/41/02/42/934410242.db2.gz SIXNQNWFBQBLQH-CABCVRRESA-N 2 1 275.440 3.027 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC001323596060 934410247 /nfs/dbraw/zinc/41/02/47/934410247.db2.gz SIXNQNWFBQBLQH-CABCVRRESA-N 2 1 275.440 3.027 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001473111461 937792551 /nfs/dbraw/zinc/79/25/51/937792551.db2.gz DSBWVZGWFWIWLH-KRWDZBQOSA-N 2 1 296.499 3.245 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC3(CCC3)C2)C[C@@H]1C ZINC001473211342 937797565 /nfs/dbraw/zinc/79/75/65/937797565.db2.gz XVXLMTWDXFQNIQ-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325597409 934920504 /nfs/dbraw/zinc/92/05/04/934920504.db2.gz IKSGKFGWGXLWOY-NJAFHUGGSA-N 2 1 274.452 3.470 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC001325742392 934925699 /nfs/dbraw/zinc/92/56/99/934925699.db2.gz DSHCYEFYEJKMSW-DZGCQCFKSA-N 2 1 252.402 3.345 20 0 CGADMP Fc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001325743430 934926403 /nfs/dbraw/zinc/92/64/03/934926403.db2.gz NHJJIJNMDGWWSX-AEGPPILISA-N 2 1 296.817 3.489 20 0 CGADMP C[C@H]([NH2+]CCc1c(F)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC001325745423 934927225 /nfs/dbraw/zinc/92/72/25/934927225.db2.gz YSCKNHLYQZLTIN-NHYWBVRUSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccn2C2CC2)C1 ZINC001326429709 934979075 /nfs/dbraw/zinc/97/90/75/934979075.db2.gz JKMSQSMOOCXQQZ-INIZCTEOSA-N 2 1 289.467 3.425 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3(C)CCCC3)C[C@@H]2C1 ZINC001333893485 936074304 /nfs/dbraw/zinc/07/43/04/936074304.db2.gz YPCFLIBCHDKKIJ-OWCLPIDISA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3(C)CCCC3)C[C@@H]2C1 ZINC001333893483 936074374 /nfs/dbraw/zinc/07/43/74/936074374.db2.gz YPCFLIBCHDKKIJ-HRCADAONSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001334355396 936099323 /nfs/dbraw/zinc/09/93/23/936099323.db2.gz CGLLNQAZNJPHNZ-GVDBMIGSSA-N 2 1 290.426 3.296 20 0 CGADMP CSCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC001335534484 936151816 /nfs/dbraw/zinc/15/18/16/936151816.db2.gz WYBSXCPZCMYXNH-PBHICJAKSA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC001335534484 936151817 /nfs/dbraw/zinc/15/18/17/936151817.db2.gz WYBSXCPZCMYXNH-PBHICJAKSA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001335534484 936151818 /nfs/dbraw/zinc/15/18/18/936151818.db2.gz WYBSXCPZCMYXNH-PBHICJAKSA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001335534484 936151819 /nfs/dbraw/zinc/15/18/19/936151819.db2.gz WYBSXCPZCMYXNH-PBHICJAKSA-N 2 1 292.492 3.322 20 0 CGADMP Cc1nccn1CCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC001473740082 937819694 /nfs/dbraw/zinc/81/96/94/937819694.db2.gz ASJGVRLLGVCDND-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC001473740082 937819695 /nfs/dbraw/zinc/81/96/95/937819695.db2.gz ASJGVRLLGVCDND-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC001473740082 937819697 /nfs/dbraw/zinc/81/96/97/937819697.db2.gz ASJGVRLLGVCDND-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCOCC1 ZINC001474031604 937836681 /nfs/dbraw/zinc/83/66/81/937836681.db2.gz PYKIDHVCTSTAGV-KRWDZBQOSA-N 2 1 294.483 3.047 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC001474031604 937836683 /nfs/dbraw/zinc/83/66/83/937836683.db2.gz PYKIDHVCTSTAGV-KRWDZBQOSA-N 2 1 294.483 3.047 20 0 CGADMP CC(C)(C[NH2+]CC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC001474177529 937843018 /nfs/dbraw/zinc/84/30/18/937843018.db2.gz PQAPRZBBZAPNLR-UHFFFAOYSA-N 2 1 274.452 3.428 20 0 CGADMP CC(C)(C[NH2+]CC[N@H+]1CCCC1(C)C)c1ccccc1 ZINC001474177529 937843020 /nfs/dbraw/zinc/84/30/20/937843020.db2.gz PQAPRZBBZAPNLR-UHFFFAOYSA-N 2 1 274.452 3.428 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC001474305755 937849842 /nfs/dbraw/zinc/84/98/42/937849842.db2.gz QRWTZJNBUWBEHV-OAHLLOKOSA-N 2 1 278.440 3.214 20 0 CGADMP CCC(CC)C[N@@H+](CC)CC1CC[NH+](CC)CC1 ZINC001474362622 937853832 /nfs/dbraw/zinc/85/38/32/937853832.db2.gz UKIGGXWJIAGVPA-UHFFFAOYSA-N 2 1 254.462 3.476 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC001474612206 937870143 /nfs/dbraw/zinc/87/01/43/937870143.db2.gz CNWNETQTLOMIBJ-CVEARBPZSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001474612465 937870298 /nfs/dbraw/zinc/87/02/98/937870298.db2.gz IWLPFIKLMLJKCK-OAHLLOKOSA-N 2 1 280.431 3.324 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001549037193 938154475 /nfs/dbraw/zinc/15/44/75/938154475.db2.gz VJBHSUIEAIAJFS-DDBAPUKQSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001549034472 938154648 /nfs/dbraw/zinc/15/46/48/938154648.db2.gz SRZKYTBEHYUZHI-LAVFITLUSA-N 2 1 272.436 3.110 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CC2(C(F)F)CC2)CC1 ZINC001550125692 938162835 /nfs/dbraw/zinc/16/28/35/938162835.db2.gz BWPNBKRTQXFURB-UHFFFAOYSA-N 2 1 286.410 3.372 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541545 938167493 /nfs/dbraw/zinc/16/74/93/938167493.db2.gz ZEMGVOCUYBTRAI-MGPQQGTHSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccccc1Cl)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550541545 938167494 /nfs/dbraw/zinc/16/74/94/938167494.db2.gz ZEMGVOCUYBTRAI-MGPQQGTHSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccccc1Cl)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550541545 938167495 /nfs/dbraw/zinc/16/74/95/938167495.db2.gz ZEMGVOCUYBTRAI-MGPQQGTHSA-N 2 1 278.827 3.285 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001552414013 938192048 /nfs/dbraw/zinc/19/20/48/938192048.db2.gz APHZOXYITAKKNB-QXAKKESOSA-N 2 1 284.447 3.256 20 0 CGADMP c1c2ccccc2[nH]c1[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC001553305498 938197879 /nfs/dbraw/zinc/19/78/79/938197879.db2.gz ZNCGQJHBORPWRI-DOTOQJQBSA-N 2 1 297.446 3.347 20 0 CGADMP Cc1ncsc1CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001559568532 938229720 /nfs/dbraw/zinc/22/97/20/938229720.db2.gz ZIDMDIFVPQHEAX-HNNXBMFYSA-N 2 1 295.496 3.190 20 0 CGADMP Cc1ncsc1CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001559568532 938229721 /nfs/dbraw/zinc/22/97/21/938229721.db2.gz ZIDMDIFVPQHEAX-HNNXBMFYSA-N 2 1 295.496 3.190 20 0 CGADMP Cc1ncsc1CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001559568532 938229722 /nfs/dbraw/zinc/22/97/22/938229722.db2.gz ZIDMDIFVPQHEAX-HNNXBMFYSA-N 2 1 295.496 3.190 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001560065739 938243019 /nfs/dbraw/zinc/24/30/19/938243019.db2.gz XBYWZHSMHLOIAJ-RCCFBDPRSA-N 2 1 272.436 3.397 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001560069532 938243123 /nfs/dbraw/zinc/24/31/23/938243123.db2.gz VFILAYGWZSHQLJ-WEJQMCOXSA-N 2 1 270.848 3.325 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001560069532 938243124 /nfs/dbraw/zinc/24/31/24/938243124.db2.gz VFILAYGWZSHQLJ-WEJQMCOXSA-N 2 1 270.848 3.325 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C)CCc1ccccc1 ZINC001560299418 938251873 /nfs/dbraw/zinc/25/18/73/938251873.db2.gz YSUBKHHAWTZXJG-OAHLLOKOSA-N 2 1 271.408 3.050 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001560358624 938255136 /nfs/dbraw/zinc/25/51/36/938255136.db2.gz QRIHKPMIROZCCG-IAGOWNOFSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001560358623 938255338 /nfs/dbraw/zinc/25/53/38/938255338.db2.gz QRIHKPMIROZCCG-DLBZAZTESA-N 2 1 290.451 3.436 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001560419807 938257662 /nfs/dbraw/zinc/25/76/62/938257662.db2.gz IRHBUGBFYVFEIV-OAHLLOKOSA-N 2 1 295.430 3.042 20 0 CGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001560670321 938269345 /nfs/dbraw/zinc/26/93/45/938269345.db2.gz AUYTVQSHNLDJOE-LBPRGKRZSA-N 2 1 294.389 3.226 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001258774790 960428809 /nfs/dbraw/zinc/42/88/09/960428809.db2.gz YXTKBIZJVYMLEF-HNNXBMFYSA-N 2 1 290.426 3.489 20 0 CGADMP CC(C)[C@@H]1CCCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001575499971 962379921 /nfs/dbraw/zinc/37/99/21/962379921.db2.gz GXSPYSKSTABUQL-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C(C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC001575428431 962383015 /nfs/dbraw/zinc/38/30/15/962383015.db2.gz CHJQYMWZVZKWGQ-CGTJXYLNSA-N 2 1 296.499 3.275 20 0 CGADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1F ZINC001575941255 962416985 /nfs/dbraw/zinc/41/69/85/962416985.db2.gz MSPCNKXGWFYJTF-ZWNOBZJWSA-N 2 1 270.779 3.099 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001576051425 962429491 /nfs/dbraw/zinc/42/94/91/962429491.db2.gz BTSRAFUMJNSBIS-ABAIWWIYSA-N 2 1 296.817 3.284 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C(C)(C)c1ccccc1 ZINC001576237821 962452294 /nfs/dbraw/zinc/45/22/94/962452294.db2.gz ABBFNJHSMLLWGY-AAEUAGOBSA-N 2 1 288.357 3.222 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC001576598295 962473379 /nfs/dbraw/zinc/47/33/79/962473379.db2.gz LMWMPNNABKWWEH-MCIONIFRSA-N 2 1 296.405 3.203 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]2CCCC[C@@H]21 ZINC001576800053 962488804 /nfs/dbraw/zinc/48/88/04/962488804.db2.gz GCGSSUACJJVDRH-DJIMGWMZSA-N 2 1 264.457 3.277 20 0 CGADMP CCC(C)(C)CC[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576941354 962502381 /nfs/dbraw/zinc/50/23/81/962502381.db2.gz FXWDOJZJXNVYSK-GDBMZVCRSA-N 2 1 252.446 3.264 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC001577096630 962504946 /nfs/dbraw/zinc/50/49/46/962504946.db2.gz SKJZXXMBMOIUCA-GJZGRUSLSA-N 2 1 280.843 3.249 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H](C[NH3+])C(C)C ZINC001577737219 962564795 /nfs/dbraw/zinc/56/47/95/962564795.db2.gz XUWCCJVSVZSSRA-CQSZACIVSA-N 2 1 268.832 3.393 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@@H](N)CC(F)(F)F)c1 ZINC001578220772 962577885 /nfs/dbraw/zinc/57/78/85/962577885.db2.gz XFUXKGOJEDDAAU-NSHDSACASA-N 2 1 292.370 3.168 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)c1 ZINC001578220772 962577903 /nfs/dbraw/zinc/57/79/03/962577903.db2.gz XFUXKGOJEDDAAU-NSHDSACASA-N 2 1 292.370 3.168 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CCCCC1 ZINC001578909326 962603691 /nfs/dbraw/zinc/60/36/91/962603691.db2.gz VDWMMNGMTNZCBY-HYVNUMGLSA-N 2 1 282.472 3.031 20 0 CGADMP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc2ccccc21 ZINC001579150391 962612349 /nfs/dbraw/zinc/61/23/49/962612349.db2.gz JBFMBFOEBVJVAC-CZUORRHYSA-N 2 1 284.403 3.018 20 0 CGADMP COc1cccc(CCC[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC001579273895 962621335 /nfs/dbraw/zinc/62/13/35/962621335.db2.gz ILBCASUWOIAIBI-YJBOKZPZSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CCO1 ZINC001579470808 962625178 /nfs/dbraw/zinc/62/51/78/962625178.db2.gz GQAVVGUTEIOIFM-JOCBIADPSA-N 2 1 294.483 3.174 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1C ZINC001579571347 962634574 /nfs/dbraw/zinc/63/45/74/962634574.db2.gz CIYKUBYWSHCFIQ-LAQIPUCWSA-N 2 1 272.436 3.296 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)c1 ZINC001579576503 962640375 /nfs/dbraw/zinc/64/03/75/962640375.db2.gz VHDOCZDHHQJBBJ-KRWDZBQOSA-N 2 1 260.425 3.219 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)cc1F ZINC001579690773 962657585 /nfs/dbraw/zinc/65/75/85/962657585.db2.gz ADUGRIJRBTZYBU-NVXWUHKLSA-N 2 1 276.399 3.085 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001579755257 962670302 /nfs/dbraw/zinc/67/03/02/962670302.db2.gz RPQRYJMKJWGYFA-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1CCc3cc(Cl)ccc31)C2 ZINC001580169569 962695981 /nfs/dbraw/zinc/69/59/81/962695981.db2.gz HNPFMDRAASMAIH-TXKWRHDYSA-N 2 1 276.811 3.139 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccccc2CC(F)(F)F)CCCC1 ZINC001580152715 962699254 /nfs/dbraw/zinc/69/92/54/962699254.db2.gz QRGGYYMXDFODIW-UHFFFAOYSA-N 2 1 286.341 3.153 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001580292958 962705299 /nfs/dbraw/zinc/70/52/99/962705299.db2.gz DTDFATHIJLAIEZ-UHFFFAOYSA-N 2 1 282.378 3.232 20 0 CGADMP Oc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Cl ZINC001580888424 962740905 /nfs/dbraw/zinc/74/09/05/962740905.db2.gz KUKAXVIKVVRZOP-UHFFFAOYSA-N 2 1 294.826 3.011 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CCC3C[NH2+]C3)[C@H]3CCCC[C@@H]23)cc1 ZINC001580893237 962746292 /nfs/dbraw/zinc/74/62/92/962746292.db2.gz YLUGQUYPRPKALJ-FHWLQOOXSA-N 2 1 284.447 3.254 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)oc1C ZINC000337390007 214047659 /nfs/dbraw/zinc/04/76/59/214047659.db2.gz KESSDUZARWDBLD-GXTWGEPZSA-N 2 1 264.413 3.279 20 0 CGADMP FC1(F)C[C@H]1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000621379600 349513698 /nfs/dbraw/zinc/51/36/98/349513698.db2.gz ZJGOPPXEGWCPJN-OAHLLOKOSA-N 2 1 294.389 3.286 20 0 CGADMP C[C@@H](c1cccs1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124948893 187162451 /nfs/dbraw/zinc/16/24/51/187162451.db2.gz FXYIBUKMTAJNAC-STQMWFEESA-N 2 1 252.427 3.225 20 0 CGADMP C[C@@H](c1cccs1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124948893 187162452 /nfs/dbraw/zinc/16/24/52/187162452.db2.gz FXYIBUKMTAJNAC-STQMWFEESA-N 2 1 252.427 3.225 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124948893 187162453 /nfs/dbraw/zinc/16/24/53/187162453.db2.gz FXYIBUKMTAJNAC-STQMWFEESA-N 2 1 252.427 3.225 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@]2(C)CC)C1 ZINC000651692808 398270338 /nfs/dbraw/zinc/27/03/38/398270338.db2.gz RVJXWQYEQYBWOI-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783238 349586511 /nfs/dbraw/zinc/58/65/11/349586511.db2.gz YZQJNLZEPGEDGI-IMJJTQAJSA-N 2 1 262.372 3.090 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783238 349586516 /nfs/dbraw/zinc/58/65/16/349586516.db2.gz YZQJNLZEPGEDGI-IMJJTQAJSA-N 2 1 262.372 3.090 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000651730383 398277305 /nfs/dbraw/zinc/27/73/05/398277305.db2.gz JLAFQBUGIDNYFC-FUHWJXTLSA-N 2 1 296.499 3.434 20 0 CGADMP CCc1cc(NCCCn2cc[nH+]c2C)c2ccccc2[nH+]1 ZINC000337832092 214278429 /nfs/dbraw/zinc/27/84/29/214278429.db2.gz WDVFUUIDAIJCRZ-UHFFFAOYSA-N 2 1 294.402 3.226 20 0 CGADMP CC[C@@H]1C[N@@H+](CCC[NH2+]C)CC[C@H]1c1ccccc1 ZINC000435885862 529389898 /nfs/dbraw/zinc/38/98/98/529389898.db2.gz OXWIFBBFVZUOFG-NVXWUHKLSA-N 2 1 260.425 3.112 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622005379 349620940 /nfs/dbraw/zinc/62/09/40/349620940.db2.gz CQZNHFFPKFXLCH-HNAYVOBHSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622005379 349620943 /nfs/dbraw/zinc/62/09/43/349620943.db2.gz CQZNHFFPKFXLCH-HNAYVOBHSA-N 2 1 296.414 3.162 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000651791406 398288658 /nfs/dbraw/zinc/28/86/58/398288658.db2.gz YOYJOYKYRHZHHT-PCKAHOCUSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000337952587 214328972 /nfs/dbraw/zinc/32/89/72/214328972.db2.gz YJLSZRSBAKAZPE-UHFFFAOYSA-N 2 1 298.365 3.059 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000651865631 398298892 /nfs/dbraw/zinc/29/88/92/398298892.db2.gz BFMGMMHWRXXZRA-GJZGRUSLSA-N 2 1 272.502 3.084 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337987656 214346112 /nfs/dbraw/zinc/34/61/12/214346112.db2.gz GMFNZDNSRNKVRJ-HOTGVXAUSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337997558 214351710 /nfs/dbraw/zinc/35/17/10/214351710.db2.gz RURWFFYKPXXDNL-WTTBNOFXSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337997558 214351712 /nfs/dbraw/zinc/35/17/12/214351712.db2.gz RURWFFYKPXXDNL-WTTBNOFXSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337985834 214343691 /nfs/dbraw/zinc/34/36/91/214343691.db2.gz DSFMRNXFVBMNBW-GJZGRUSLSA-N 2 1 258.425 3.226 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337985834 214343692 /nfs/dbraw/zinc/34/36/92/214343692.db2.gz DSFMRNXFVBMNBW-GJZGRUSLSA-N 2 1 258.425 3.226 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000338007679 214356253 /nfs/dbraw/zinc/35/62/53/214356253.db2.gz ARTSNEVFTIXNTC-HOTGVXAUSA-N 2 1 261.413 3.140 20 0 CGADMP CC[N@@H+](CCCNC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000651910202 398304552 /nfs/dbraw/zinc/30/45/52/398304552.db2.gz LAGMCDYUXVIERC-UHFFFAOYSA-N 2 1 295.515 3.105 20 0 CGADMP CC[N@H+](CCC[NH2+]Cc1ccncc1)C1CCCCC1 ZINC000651909691 398305030 /nfs/dbraw/zinc/30/50/30/398305030.db2.gz SYZCEPOPVIUOOO-UHFFFAOYSA-N 2 1 275.440 3.216 20 0 CGADMP CC[N@@H+](CCC[NH2+]Cc1ccncc1)C1CCCCC1 ZINC000651909691 398305032 /nfs/dbraw/zinc/30/50/32/398305032.db2.gz SYZCEPOPVIUOOO-UHFFFAOYSA-N 2 1 275.440 3.216 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@H]1CCCOC1)C1CCCCC1 ZINC000651910577 398305657 /nfs/dbraw/zinc/30/56/57/398305657.db2.gz ZNQXOFAWDLULFD-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@H]1CCCOC1)C1CCCCC1 ZINC000651910578 398305667 /nfs/dbraw/zinc/30/56/67/398305667.db2.gz ZNQXOFAWDLULFD-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000334418154 282187678 /nfs/dbraw/zinc/18/76/78/282187678.db2.gz RNGYBYSUWUXOTK-ZIAGYGMSSA-N 2 1 274.399 3.228 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423459030 529568472 /nfs/dbraw/zinc/56/84/72/529568472.db2.gz HLRGSHYUQNVSNT-CMPLNLGQSA-N 2 1 288.407 3.432 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000423378844 529661694 /nfs/dbraw/zinc/66/16/94/529661694.db2.gz WSYBMZYSYIIRJX-XOKHGSTOSA-N 2 1 294.389 3.189 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)CC1(C)C ZINC000623387470 349796235 /nfs/dbraw/zinc/79/62/35/349796235.db2.gz DVDVHWXRZYMMGJ-ZBFHGGJFSA-N 2 1 288.435 3.363 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)CC1(C)C ZINC000623410979 349801722 /nfs/dbraw/zinc/80/17/22/349801722.db2.gz ORFYVNSBBGRKCV-GJZGRUSLSA-N 2 1 288.435 3.015 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC1(C)C ZINC000623430835 349806985 /nfs/dbraw/zinc/80/69/85/349806985.db2.gz HZEFUBJNEQYZNQ-ARFHVFGLSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC2Cc3ccccc3C2)CC1(C)C ZINC000623473901 349815498 /nfs/dbraw/zinc/81/54/98/349815498.db2.gz LRWUHZWIXNLCEO-GOSISDBHSA-N 2 1 286.463 3.254 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000423273112 529722053 /nfs/dbraw/zinc/72/20/53/529722053.db2.gz ZVQUZRYRMDFTOF-NWDGAFQWSA-N 2 1 254.443 3.335 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414710262 529729520 /nfs/dbraw/zinc/72/95/20/529729520.db2.gz RTIHUZBNLXHAOE-XBFCOCLRSA-N 2 1 295.496 3.395 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000351408251 219094286 /nfs/dbraw/zinc/09/42/86/219094286.db2.gz HBTHIDOWJBADCK-QGZVFWFLSA-N 2 1 282.472 3.142 20 0 CGADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496050 349820359 /nfs/dbraw/zinc/82/03/59/349820359.db2.gz FRPINJXQPBSKNN-OAGGEKHMSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503344 349822404 /nfs/dbraw/zinc/82/24/04/349822404.db2.gz WBLWNHBCMQLQGB-RYUDHWBXSA-N 2 1 280.378 3.426 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc32)CC1(C)C ZINC000623534667 349828654 /nfs/dbraw/zinc/82/86/54/349828654.db2.gz ZXUMVQJMRGNXLQ-KGLIPLIRSA-N 2 1 290.476 3.338 20 0 CGADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623538850 349829141 /nfs/dbraw/zinc/82/91/41/349829141.db2.gz XLGNIHCAFFZQKH-GFCCVEGCSA-N 2 1 252.427 3.019 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623541084 349830051 /nfs/dbraw/zinc/83/00/51/349830051.db2.gz SLHVDTZJQWCDFD-INIZCTEOSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623564924 349836594 /nfs/dbraw/zinc/83/65/94/349836594.db2.gz WYNJQUSBRMOGJG-YSVLISHTSA-N 2 1 272.436 3.177 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@@H]12 ZINC000351493084 219103751 /nfs/dbraw/zinc/10/37/51/219103751.db2.gz LTGMPWCJOUHVGQ-IPMKNSEASA-N 2 1 280.415 3.051 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1Cl ZINC000623657726 349859113 /nfs/dbraw/zinc/85/91/13/349859113.db2.gz XOYIXJFLTOLGBB-HNNXBMFYSA-N 2 1 280.843 3.470 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623655030 349857048 /nfs/dbraw/zinc/85/70/48/349857048.db2.gz MLYMSPRZCSEQOJ-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000623656937 349857806 /nfs/dbraw/zinc/85/78/06/349857806.db2.gz GCJKPGNOZYTPKX-DQOPKJQZSA-N 2 1 276.399 3.160 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2c[nH]c3c2cccc3Cl)CC1 ZINC000623833622 349892354 /nfs/dbraw/zinc/89/23/54/349892354.db2.gz PHDJVEXXDRYHOK-UHFFFAOYSA-N 2 1 291.826 3.048 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCCO1 ZINC000623855682 349897273 /nfs/dbraw/zinc/89/72/73/349897273.db2.gz FQYLFOWJZRKZQX-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP C[NH2+]CC[NH2+][C@H](C)CCc1ccc(OCC=C(C)C)cc1 ZINC000423228122 529978966 /nfs/dbraw/zinc/97/89/66/529978966.db2.gz YGKOVBXETBYCMD-MRXNPFEDSA-N 2 1 290.451 3.162 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000414192866 530054955 /nfs/dbraw/zinc/05/49/55/530054955.db2.gz TWCHOJYMFXLDML-PKOBYXMFSA-N 2 1 286.463 3.329 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC[C@@H]21 ZINC000411323232 530059168 /nfs/dbraw/zinc/05/91/68/530059168.db2.gz JEXMOMUKIVCAFD-LAVFITLUSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC[C@@H]21 ZINC000411323232 530059169 /nfs/dbraw/zinc/05/91/69/530059169.db2.gz JEXMOMUKIVCAFD-LAVFITLUSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC[C@@H]21 ZINC000411323232 530059170 /nfs/dbraw/zinc/05/91/70/530059170.db2.gz JEXMOMUKIVCAFD-LAVFITLUSA-N 2 1 288.410 3.098 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295100718 199345200 /nfs/dbraw/zinc/34/52/00/199345200.db2.gz UVOWLEQXGBDXPH-CSNJMZFVSA-N 2 1 272.436 3.223 20 0 CGADMP Cc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188362 345244101 /nfs/dbraw/zinc/24/41/01/345244101.db2.gz XBNKIPYTOVRJPN-IRXDYDNUSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188362 345244103 /nfs/dbraw/zinc/24/41/03/345244103.db2.gz XBNKIPYTOVRJPN-IRXDYDNUSA-N 2 1 258.409 3.102 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC000295117576 199353921 /nfs/dbraw/zinc/35/39/21/199353921.db2.gz WYFJVYLWFLEAIV-PLTIAYLTSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000295117576 199353922 /nfs/dbraw/zinc/35/39/22/199353922.db2.gz WYFJVYLWFLEAIV-PLTIAYLTSA-N 2 1 276.399 3.492 20 0 CGADMP Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086279245 345749226 /nfs/dbraw/zinc/74/92/26/345749226.db2.gz HSTGBYSTQWVLJZ-GFCCVEGCSA-N 2 1 295.390 3.063 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccnc2)C(C)C)C1 ZINC000091305989 345810487 /nfs/dbraw/zinc/81/04/87/345810487.db2.gz KUMIYBWLRBKRKV-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091321094 345810905 /nfs/dbraw/zinc/81/09/05/345810905.db2.gz KTEPIWKSBVZLCP-RHSMWYFYSA-N 2 1 286.423 3.210 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000089609074 345771815 /nfs/dbraw/zinc/77/18/15/345771815.db2.gz FCNYOUWMOYZOPY-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000090116760 345784264 /nfs/dbraw/zinc/78/42/64/345784264.db2.gz JNWMPGNSMDJMEO-NFAWXSAZSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000090853904 345796274 /nfs/dbraw/zinc/79/62/74/345796274.db2.gz OOGVHHOKKURERD-CLCXKQKWSA-N 2 1 286.463 3.110 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253648 345833757 /nfs/dbraw/zinc/83/37/57/345833757.db2.gz ULYRQGMYQBLVAW-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253648 345833760 /nfs/dbraw/zinc/83/37/60/345833760.db2.gz ULYRQGMYQBLVAW-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253648 345833763 /nfs/dbraw/zinc/83/37/63/345833763.db2.gz ULYRQGMYQBLVAW-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP CCC[N@@H+](Cc1ccnc2ccccc12)C1CC[NH2+]CC1 ZINC000092349402 345836757 /nfs/dbraw/zinc/83/67/57/345836757.db2.gz HDMXRFCZAVTHCZ-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174515517 232302664 /nfs/dbraw/zinc/30/26/64/232302664.db2.gz LHJBNCVJZSUZDO-GOEBONIOSA-N 2 1 298.430 3.421 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000174515517 232302666 /nfs/dbraw/zinc/30/26/66/232302666.db2.gz LHJBNCVJZSUZDO-GOEBONIOSA-N 2 1 298.430 3.421 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175258723 232315650 /nfs/dbraw/zinc/31/56/50/232315650.db2.gz YPWLAUVVHGTCDO-ZIAGYGMSSA-N 2 1 293.455 3.307 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1 ZINC000149421689 346131150 /nfs/dbraw/zinc/13/11/50/346131150.db2.gz QATGLJWOBFVVAW-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000249875570 346383908 /nfs/dbraw/zinc/38/39/08/346383908.db2.gz IIFGHTVKOWEAMX-GOEBONIOSA-N 2 1 276.424 3.035 20 0 CGADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000257730611 346400729 /nfs/dbraw/zinc/40/07/29/346400729.db2.gz XBDATCPDJIRGMS-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000311747035 346474482 /nfs/dbraw/zinc/47/44/82/346474482.db2.gz SQDMOJUDOQUVEG-HOTGVXAUSA-N 2 1 262.441 3.499 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000311747035 346474486 /nfs/dbraw/zinc/47/44/86/346474486.db2.gz SQDMOJUDOQUVEG-HOTGVXAUSA-N 2 1 262.441 3.499 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000311898657 346475548 /nfs/dbraw/zinc/47/55/48/346475548.db2.gz FJSXBKUDWNNHNE-CYBMUJFWSA-N 2 1 257.381 3.375 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)o1 ZINC000584682252 346707575 /nfs/dbraw/zinc/70/75/75/346707575.db2.gz MCGIADIYZCGKSU-VDERGJSUSA-N 2 1 276.424 3.175 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCCC12CCCC2)C1CC1 ZINC000584853550 346718760 /nfs/dbraw/zinc/71/87/60/346718760.db2.gz HFTPWKJABZFLLJ-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH+](C/C=C\C[N@H+](C)CC(C)(C)C)CC(C)(C)C ZINC000588903495 346774319 /nfs/dbraw/zinc/77/43/19/346774319.db2.gz ZTUKVWFPMBMNPL-KTKRTIGZSA-N 2 1 254.462 3.498 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119917 349976635 /nfs/dbraw/zinc/97/66/35/349976635.db2.gz MEVJADJTFQFDHT-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCCCC1 ZINC000624120242 349977572 /nfs/dbraw/zinc/97/75/72/349977572.db2.gz UTDWASASFYAJHW-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624121373 349978784 /nfs/dbraw/zinc/97/87/84/349978784.db2.gz UVYPJTMTQROROV-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120985 349978858 /nfs/dbraw/zinc/97/88/58/349978858.db2.gz LGUIHJUJKZGMNS-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)o1 ZINC000624122234 349979983 /nfs/dbraw/zinc/97/99/83/349979983.db2.gz MYCYDKVKLLHXHZ-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)o1 ZINC000624122234 349979984 /nfs/dbraw/zinc/97/99/84/349979984.db2.gz MYCYDKVKLLHXHZ-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121425 349978034 /nfs/dbraw/zinc/97/80/34/349978034.db2.gz WFZRTXMMEXLGCI-HOTGVXAUSA-N 2 1 252.446 3.443 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000624122428 349981385 /nfs/dbraw/zinc/98/13/85/349981385.db2.gz RCSULRSJUXAAET-HOCLYGCPSA-N 2 1 275.440 3.081 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CCSC(C)C)CC1 ZINC000602950186 348046886 /nfs/dbraw/zinc/04/68/86/348046886.db2.gz KXWOBKZTTWXSFB-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122741 349981902 /nfs/dbraw/zinc/98/19/02/349981902.db2.gz ZULFXRYUESZALC-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000624123503 349982309 /nfs/dbraw/zinc/98/23/09/349982309.db2.gz NGPXTNISSIOAME-FZKCQIBNSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H](F)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352014683 219290650 /nfs/dbraw/zinc/29/06/50/219290650.db2.gz NUQFSGUKRJGAAK-WBVHZDCISA-N 2 1 278.415 3.188 20 0 CGADMP C[C@@H](F)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352014683 219290651 /nfs/dbraw/zinc/29/06/51/219290651.db2.gz NUQFSGUKRJGAAK-WBVHZDCISA-N 2 1 278.415 3.188 20 0 CGADMP C[C@@H](F)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352014683 219290653 /nfs/dbraw/zinc/29/06/53/219290653.db2.gz NUQFSGUKRJGAAK-WBVHZDCISA-N 2 1 278.415 3.188 20 0 CGADMP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000339643423 215284670 /nfs/dbraw/zinc/28/46/70/215284670.db2.gz HAYKAGAGWDTQQJ-KBAYOESNSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000339643423 215284671 /nfs/dbraw/zinc/28/46/71/215284671.db2.gz HAYKAGAGWDTQQJ-KBAYOESNSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000339643423 215284674 /nfs/dbraw/zinc/28/46/74/215284674.db2.gz HAYKAGAGWDTQQJ-KBAYOESNSA-N 2 1 296.499 3.122 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000339643423 215284676 /nfs/dbraw/zinc/28/46/76/215284676.db2.gz HAYKAGAGWDTQQJ-KBAYOESNSA-N 2 1 296.499 3.122 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625787109 350214256 /nfs/dbraw/zinc/21/42/56/350214256.db2.gz VCNABUWWQDJJBM-GOSISDBHSA-N 2 1 298.434 3.498 20 0 CGADMP CC[N@@H+](CCCCF)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062783 350254915 /nfs/dbraw/zinc/25/49/15/350254915.db2.gz GNQIJDDVIUMCGJ-UHFFFAOYSA-N 2 1 266.404 3.320 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000359882916 233387421 /nfs/dbraw/zinc/38/74/21/233387421.db2.gz WIYUHOZZUWHEFT-RHSMWYFYSA-N 2 1 284.407 3.060 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000359882916 233387422 /nfs/dbraw/zinc/38/74/22/233387422.db2.gz WIYUHOZZUWHEFT-RHSMWYFYSA-N 2 1 284.407 3.060 20 0 CGADMP Cc1ccc([C@@H](C)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000628140818 350409053 /nfs/dbraw/zinc/40/90/53/350409053.db2.gz YYLTZJZGGYMSDY-IRXDYDNUSA-N 2 1 274.452 3.372 20 0 CGADMP Cc1ccc([C@@H](C)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000628140818 350409056 /nfs/dbraw/zinc/40/90/56/350409056.db2.gz YYLTZJZGGYMSDY-IRXDYDNUSA-N 2 1 274.452 3.372 20 0 CGADMP Cc1ccc([C@@H](C)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000628140818 350409060 /nfs/dbraw/zinc/40/90/60/350409060.db2.gz YYLTZJZGGYMSDY-IRXDYDNUSA-N 2 1 274.452 3.372 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)Cc1ccccc1 ZINC000628425376 350535863 /nfs/dbraw/zinc/53/58/63/350535863.db2.gz IYOAVKWDZRCRAM-AEFFLSMTSA-N 2 1 274.452 3.187 20 0 CGADMP CCc1nc(C(C)C)ccc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000629535507 350705207 /nfs/dbraw/zinc/70/52/07/350705207.db2.gz GJOMPOABNVPDNP-QGZVFWFLSA-N 2 1 289.467 3.245 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000629536865 350705741 /nfs/dbraw/zinc/70/57/41/350705741.db2.gz GRSVUFJKTCXSOE-OLMNPRSZSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000629543962 350708750 /nfs/dbraw/zinc/70/87/50/350708750.db2.gz HEBLMCJIELKOCL-OXJKWZBOSA-N 2 1 266.816 3.172 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585003 350714753 /nfs/dbraw/zinc/71/47/53/350714753.db2.gz JJIZUKNKXAPYAF-YESZJQIVSA-N 2 1 276.399 3.208 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585003 350714757 /nfs/dbraw/zinc/71/47/57/350714757.db2.gz JJIZUKNKXAPYAF-YESZJQIVSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629395842 350688431 /nfs/dbraw/zinc/68/84/31/350688431.db2.gz GLNBJLWPGLNBGN-YQQAZPJKSA-N 2 1 260.425 3.046 20 0 CGADMP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409572 350690041 /nfs/dbraw/zinc/69/00/41/350690041.db2.gz KJEGHTPUIGQNGT-NXHRZFHOSA-N 2 1 288.435 3.061 20 0 CGADMP c1ccc([C@H]2CCCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629409887 350690119 /nfs/dbraw/zinc/69/01/19/350690119.db2.gz VTZONDFOVVMCTJ-YESZJQIVSA-N 2 1 258.409 3.054 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629516357 350699565 /nfs/dbraw/zinc/69/95/65/350699565.db2.gz BLEKBXRHVOTJDQ-SJPCQFCGSA-N 2 1 287.451 3.228 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629516357 350699567 /nfs/dbraw/zinc/69/95/67/350699567.db2.gz BLEKBXRHVOTJDQ-SJPCQFCGSA-N 2 1 287.451 3.228 20 0 CGADMP C[C@@H]([NH3+])c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000629733546 350755894 /nfs/dbraw/zinc/75/58/94/350755894.db2.gz XJSBUGVALOTFDF-OAHLLOKOSA-N 2 1 296.414 3.206 20 0 CGADMP COc1ccc(C(C)(C)[NH2+]C[C@@H]([NH3+])CC(C)C)cc1F ZINC000629653218 350731306 /nfs/dbraw/zinc/73/13/06/350731306.db2.gz IBSBFAMTHPZKLV-ZDUSSCGKSA-N 2 1 282.403 3.032 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000629660104 350732769 /nfs/dbraw/zinc/73/27/69/350732769.db2.gz NULMUVSWHWJWBA-JMSVASOKSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1CC(F)(F)F ZINC000631056009 350938922 /nfs/dbraw/zinc/93/89/22/350938922.db2.gz CDVWHMAMUMEJRN-UHFFFAOYSA-N 2 1 297.324 3.086 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2C)[C@H](C)C1 ZINC000631082776 350947636 /nfs/dbraw/zinc/94/76/36/350947636.db2.gz FAJHFHLLFKKLBD-IAQYHMDHSA-N 2 1 266.454 3.185 20 0 CGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000631651526 351105990 /nfs/dbraw/zinc/10/59/90/351105990.db2.gz KTUCEEDWIFCKCS-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(C)ccn1 ZINC000631569542 351069745 /nfs/dbraw/zinc/06/97/45/351069745.db2.gz KDJIAXJLXMXDSU-HOTGVXAUSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(C)ccn1 ZINC000631569542 351069747 /nfs/dbraw/zinc/06/97/47/351069747.db2.gz KDJIAXJLXMXDSU-HOTGVXAUSA-N 2 1 275.440 3.163 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1CCCc2ncccc21)[NH+]1CCCCC1 ZINC000631618183 351091798 /nfs/dbraw/zinc/09/17/98/351091798.db2.gz RRFXMOKSQOALGY-YJBOKZPZSA-N 2 1 287.451 3.313 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886703 351152161 /nfs/dbraw/zinc/15/21/61/351152161.db2.gz JKFCWLSCGDOIAI-AEFFLSMTSA-N 2 1 288.435 3.048 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1F ZINC000635010256 351628296 /nfs/dbraw/zinc/62/82/96/351628296.db2.gz RHTMVJXFFDPZSW-VNQPRFMTSA-N 2 1 294.389 3.365 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364611092 234055249 /nfs/dbraw/zinc/05/52/49/234055249.db2.gz YNGYYODRHAJAGA-KFWWJZLASA-N 2 1 275.440 3.250 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCCCC(F)(F)F)CC1 ZINC000365403498 234100984 /nfs/dbraw/zinc/10/09/84/234100984.db2.gz NBNFFBKSAQBJDS-LBPRGKRZSA-N 2 1 266.351 3.135 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCC(F)(F)F)CC1 ZINC000365403498 234100985 /nfs/dbraw/zinc/10/09/85/234100985.db2.gz NBNFFBKSAQBJDS-LBPRGKRZSA-N 2 1 266.351 3.135 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000271564711 191213927 /nfs/dbraw/zinc/21/39/27/191213927.db2.gz OWIHJGXUKSEZRT-AWEZNQCLSA-N 2 1 275.440 3.304 20 0 CGADMP C[C@H]1CC(CC[NH2+][C@@](C)(C[NH3+])C2CC2)C[C@H](C)C1 ZINC000430586104 290341981 /nfs/dbraw/zinc/34/19/81/290341981.db2.gz XZXDRGHEAVKTLK-IOASZLSFSA-N 2 1 252.446 3.166 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292141278 198179744 /nfs/dbraw/zinc/17/97/44/198179744.db2.gz MKSCYZVNZXWXSH-WBVHZDCISA-N 2 1 258.409 3.084 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292141278 198179745 /nfs/dbraw/zinc/17/97/45/198179745.db2.gz MKSCYZVNZXWXSH-WBVHZDCISA-N 2 1 258.409 3.084 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292141278 198179747 /nfs/dbraw/zinc/17/97/47/198179747.db2.gz MKSCYZVNZXWXSH-WBVHZDCISA-N 2 1 258.409 3.084 20 0 CGADMP Cc1ccncc1CCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000368575222 234323018 /nfs/dbraw/zinc/32/30/18/234323018.db2.gz ITUXSUDTVUKJFW-LJQANCHMSA-N 2 1 296.414 3.396 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000368575222 234323021 /nfs/dbraw/zinc/32/30/21/234323021.db2.gz ITUXSUDTVUKJFW-LJQANCHMSA-N 2 1 296.414 3.396 20 0 CGADMP c1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157130125 188298987 /nfs/dbraw/zinc/29/89/87/188298987.db2.gz RVSTXRGNEYPVOT-GOSISDBHSA-N 2 1 272.436 3.179 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC12CCCC2)C1CC1 ZINC000340190553 215480643 /nfs/dbraw/zinc/48/06/43/215480643.db2.gz IERXWYJBXGMPGI-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000271894418 191395273 /nfs/dbraw/zinc/39/52/73/191395273.db2.gz SXHBYOIXCGZJRC-JTQLQIEISA-N 2 1 270.829 3.314 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000414176016 235354266 /nfs/dbraw/zinc/35/42/66/235354266.db2.gz IUTSQUAMPHBAEQ-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCc2cccnc21 ZINC000262026712 283195283 /nfs/dbraw/zinc/19/52/83/283195283.db2.gz WRRASHCWXAXKJJ-KRWDZBQOSA-N 2 1 287.451 3.171 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420378361 235745518 /nfs/dbraw/zinc/74/55/18/235745518.db2.gz QIVBXGYJAXCMJU-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420378361 235745520 /nfs/dbraw/zinc/74/55/20/235745520.db2.gz QIVBXGYJAXCMJU-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091287720 138343718 /nfs/dbraw/zinc/34/37/18/138343718.db2.gz AYFNRPQKKFQDLL-MAUKXSAKSA-N 2 1 290.451 3.324 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCCCC1 ZINC000421825767 235867587 /nfs/dbraw/zinc/86/75/87/235867587.db2.gz PFTPZJJHKHHIBT-HUUCEWRRSA-N 2 1 293.455 3.155 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129450591 138397459 /nfs/dbraw/zinc/39/74/59/138397459.db2.gz VPKLAUHUUZRXGS-SNVBAGLBSA-N 2 1 292.320 3.274 20 0 CGADMP CCC[N@@H+](CCc1cccs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414760410 283268504 /nfs/dbraw/zinc/26/85/04/283268504.db2.gz YOVFELFBKRDTQP-HUUCEWRRSA-N 2 1 280.481 3.391 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423296537 236027904 /nfs/dbraw/zinc/02/79/04/236027904.db2.gz HEHKYEDETMBUDQ-VXGBXAGGSA-N 2 1 275.421 3.056 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C2CCC2)o1 ZINC000423324899 236038682 /nfs/dbraw/zinc/03/86/82/236038682.db2.gz BMDQWHNWHYDHEN-DLBZAZTESA-N 2 1 276.424 3.409 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000423331222 236041444 /nfs/dbraw/zinc/04/14/44/236041444.db2.gz PYBUGYLPTJHNQD-NEPJUHHUSA-N 2 1 260.406 3.413 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352785447 219629745 /nfs/dbraw/zinc/62/97/45/219629745.db2.gz GLWSHNGQNSIISE-STQMWFEESA-N 2 1 281.469 3.263 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423364423 236051668 /nfs/dbraw/zinc/05/16/68/236051668.db2.gz AQHJLXXKVSBCOO-IAOVAPTHSA-N 3 1 298.434 3.101 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423401534 236063950 /nfs/dbraw/zinc/06/39/50/236063950.db2.gz QZQJXOQIZBARGI-CORIIIEPSA-N 2 1 266.816 3.303 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000423525743 236091725 /nfs/dbraw/zinc/09/17/25/236091725.db2.gz KOGLYVDHYUYLAA-SSAIOAENSA-N 2 1 299.462 3.194 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423531067 236093333 /nfs/dbraw/zinc/09/33/33/236093333.db2.gz QCLPXKMUPQCGJG-DLBZAZTESA-N 2 1 258.409 3.089 20 0 CGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424373928 236158138 /nfs/dbraw/zinc/15/81/38/236158138.db2.gz KHDXVKUIEKVROK-DOPJRALCSA-N 2 1 299.393 3.137 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc2ccccc2o1 ZINC000424377535 236158940 /nfs/dbraw/zinc/15/89/40/236158940.db2.gz RJAZMOSEAWDPPX-IACUBPJLSA-N 2 1 258.365 3.353 20 0 CGADMP COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000424311040 236145973 /nfs/dbraw/zinc/14/59/73/236145973.db2.gz KGDFEFZNEDXNLF-AVGNSLFASA-N 2 1 296.842 3.482 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)c(Cl)c1 ZINC000424311040 236145974 /nfs/dbraw/zinc/14/59/74/236145974.db2.gz KGDFEFZNEDXNLF-AVGNSLFASA-N 2 1 296.842 3.482 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000424328755 236150398 /nfs/dbraw/zinc/15/03/98/236150398.db2.gz FRPLOCHLKFZTHV-CHWSQXEVSA-N 2 1 272.314 3.065 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)C2CCC(C)(C)CC2)CC[NH2+]1 ZINC000235723346 291121459 /nfs/dbraw/zinc/12/14/59/291121459.db2.gz YQHVKVWQSOWJIE-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000177767610 189068077 /nfs/dbraw/zinc/06/80/77/189068077.db2.gz ZOXSVENEVMKPOJ-MAUKXSAKSA-N 2 1 298.430 3.291 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc3ccccc3c2)CC[N@H+]1C ZINC000177767610 189068078 /nfs/dbraw/zinc/06/80/78/189068078.db2.gz ZOXSVENEVMKPOJ-MAUKXSAKSA-N 2 1 298.430 3.291 20 0 CGADMP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000177887776 189076686 /nfs/dbraw/zinc/07/66/86/189076686.db2.gz WSTREONORZGMRT-BBWFWOEESA-N 2 1 290.451 3.001 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000177892375 189077018 /nfs/dbraw/zinc/07/70/18/189077018.db2.gz LVEBKVSRUOIENK-MDZLAQPJSA-N 2 1 286.872 3.262 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178186191 189096016 /nfs/dbraw/zinc/09/60/16/189096016.db2.gz MYHLLJDYUJPWOU-GJZGRUSLSA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178186191 189096017 /nfs/dbraw/zinc/09/60/17/189096017.db2.gz MYHLLJDYUJPWOU-GJZGRUSLSA-N 2 1 283.419 3.227 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000178702156 189138612 /nfs/dbraw/zinc/13/86/12/189138612.db2.gz PHKRWFXXDQBRJZ-NEPJUHHUSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccsc1 ZINC000178706201 189138670 /nfs/dbraw/zinc/13/86/70/189138670.db2.gz QDHYLVUYBCECQT-RYUDHWBXSA-N 2 1 263.410 3.240 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000183260267 189352707 /nfs/dbraw/zinc/35/27/07/189352707.db2.gz BUPBCDQNZPDQHX-OAHLLOKOSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccncc1 ZINC000183184186 189349028 /nfs/dbraw/zinc/34/90/28/189349028.db2.gz OPPLLRFPRDQTMF-BFYDXBDKSA-N 2 1 287.451 3.385 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000449085016 239169323 /nfs/dbraw/zinc/16/93/23/239169323.db2.gz ZSGXVDZSABPWPH-CVEARBPZSA-N 2 1 278.440 3.455 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cc2cccnc2o1)C(C)(C)C ZINC000449138358 239200599 /nfs/dbraw/zinc/20/05/99/239200599.db2.gz BOROMADXHJBJIL-HNNXBMFYSA-N 2 1 289.423 3.284 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1F ZINC000449169355 239218830 /nfs/dbraw/zinc/21/88/30/239218830.db2.gz GPNWWOCLSWDZBL-HUUCEWRRSA-N 2 1 264.388 3.097 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119696528 370699881 /nfs/dbraw/zinc/69/98/81/370699881.db2.gz VKCNTIJWIPHXSN-OAHLLOKOSA-N 2 1 272.436 3.142 20 0 CGADMP CCSCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120022009 370731939 /nfs/dbraw/zinc/73/19/39/370731939.db2.gz IMCDNDRVJGHIAS-UHFFFAOYSA-N 2 1 292.492 3.336 20 0 CGADMP CCSCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120022009 370731944 /nfs/dbraw/zinc/73/19/44/370731944.db2.gz IMCDNDRVJGHIAS-UHFFFAOYSA-N 2 1 292.492 3.336 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ccoc21 ZINC000335581665 212292518 /nfs/dbraw/zinc/29/25/18/212292518.db2.gz QBNNONZHJIUDAE-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ccoc21 ZINC000335581665 212292520 /nfs/dbraw/zinc/29/25/20/212292520.db2.gz QBNNONZHJIUDAE-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2ccoc21 ZINC000335581665 212292522 /nfs/dbraw/zinc/29/25/22/212292522.db2.gz QBNNONZHJIUDAE-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2ccoc21 ZINC000335581665 212292526 /nfs/dbraw/zinc/29/25/26/212292526.db2.gz QBNNONZHJIUDAE-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)ccc2n1 ZINC000275624298 193088424 /nfs/dbraw/zinc/08/84/24/193088424.db2.gz PEEXTOUFOASMLY-RBUKOAKNSA-N 2 1 295.430 3.260 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)ccc2n1 ZINC000275624298 193088426 /nfs/dbraw/zinc/08/84/26/193088426.db2.gz PEEXTOUFOASMLY-RBUKOAKNSA-N 2 1 295.430 3.260 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000275595385 193082398 /nfs/dbraw/zinc/08/23/98/193082398.db2.gz PYRMUNJXNKCFHM-NWDGAFQWSA-N 2 1 291.345 3.075 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1coc2ccccc12 ZINC000121286999 370848513 /nfs/dbraw/zinc/84/85/13/370848513.db2.gz QBXKNUFGVPNKNB-ZDUSSCGKSA-N 2 1 283.375 3.364 20 0 CGADMP CSc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459733462 242196306 /nfs/dbraw/zinc/19/63/06/242196306.db2.gz GNYIQXJMLWCVPY-LBPRGKRZSA-N 2 1 284.494 3.292 20 0 CGADMP C[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000459783465 242233402 /nfs/dbraw/zinc/23/34/02/242233402.db2.gz NHADIERZAVMMRM-FUHWJXTLSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000462687870 242358097 /nfs/dbraw/zinc/35/80/97/242358097.db2.gz RZKDUQNTFDSLNF-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000462687870 242358102 /nfs/dbraw/zinc/35/81/02/242358102.db2.gz RZKDUQNTFDSLNF-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000462807213 242364185 /nfs/dbraw/zinc/36/41/85/242364185.db2.gz ZBTSMEYDWDVGQY-BBRMVZONSA-N 2 1 280.843 3.121 20 0 CGADMP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Cl ZINC000462820424 242365839 /nfs/dbraw/zinc/36/58/39/242365839.db2.gz VNQQLGDRTXYQHR-HIFRSBDPSA-N 2 1 280.843 3.263 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1ccco1 ZINC000121458066 370862698 /nfs/dbraw/zinc/86/26/98/370862698.db2.gz KNYGVAFAVTVXDY-UONOGXRCSA-N 2 1 275.396 3.032 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCC(C)C ZINC000121488000 370865347 /nfs/dbraw/zinc/86/53/47/370865347.db2.gz URRPTQYCHIHAJG-KBPBESRZSA-N 2 1 251.418 3.242 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275903048 193159252 /nfs/dbraw/zinc/15/92/52/193159252.db2.gz SMYFVZKUDHIUGE-QZTJIDSGSA-N 2 1 283.419 3.292 20 0 CGADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(O)c1 ZINC000194959466 296117781 /nfs/dbraw/zinc/11/77/81/296117781.db2.gz NLNBCYGAPOUXSW-CQSZACIVSA-N 2 1 276.424 3.165 20 0 CGADMP CCCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000479452007 243104923 /nfs/dbraw/zinc/10/49/23/243104923.db2.gz HXLQEDILXIHIDP-PBHICJAKSA-N 2 1 260.425 3.211 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000478282784 243072906 /nfs/dbraw/zinc/07/29/06/243072906.db2.gz QPDGSCPIKHQYGD-MAUKXSAKSA-N 2 1 281.403 3.059 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000479697178 243120589 /nfs/dbraw/zinc/12/05/89/243120589.db2.gz ZBQQUEKQYOJHHP-WMLDXEAASA-N 2 1 290.426 3.393 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000247028835 296121928 /nfs/dbraw/zinc/12/19/28/296121928.db2.gz NJQRSIYISDTIKA-QLFBSQMISA-N 2 1 296.480 3.288 20 0 CGADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC1CCCCC1 ZINC000484818027 243321108 /nfs/dbraw/zinc/32/11/08/243321108.db2.gz GTBJENNRPAATPA-KURKYZTESA-N 2 1 294.483 3.094 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2o1 ZINC000012650867 368622405 /nfs/dbraw/zinc/62/24/05/368622405.db2.gz MXAIPXRZPDYHMU-UHFFFAOYSA-N 2 1 260.381 3.206 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2o1 ZINC000012650867 368622411 /nfs/dbraw/zinc/62/24/11/368622411.db2.gz MXAIPXRZPDYHMU-UHFFFAOYSA-N 2 1 260.381 3.206 20 0 CGADMP C[C@@H]1CC[C@@H](C)[NH+]1C/C=C/C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123026480 370908695 /nfs/dbraw/zinc/90/86/95/370908695.db2.gz BZNJQNVABVJJDU-LWHLLYOBSA-N 2 1 250.430 3.288 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000036994569 369047381 /nfs/dbraw/zinc/04/73/81/369047381.db2.gz XUBXTFAKNHFTKS-INIZCTEOSA-N 2 1 260.425 3.458 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997015 369048422 /nfs/dbraw/zinc/04/84/22/369048422.db2.gz YOQSSEMILQAWDN-VKYMVXLJSA-N 2 1 288.410 3.288 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997015 369048424 /nfs/dbraw/zinc/04/84/24/369048424.db2.gz YOQSSEMILQAWDN-VKYMVXLJSA-N 2 1 288.410 3.288 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000037118211 369062906 /nfs/dbraw/zinc/06/29/06/369062906.db2.gz AALHHZSPUWLIQP-NSHDSACASA-N 2 1 284.350 3.033 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCC2 ZINC000037140819 369066668 /nfs/dbraw/zinc/06/66/68/369066668.db2.gz KOORLXFNMZLDTL-AWEZNQCLSA-N 2 1 284.447 3.453 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000037140881 369067522 /nfs/dbraw/zinc/06/75/22/369067522.db2.gz QOHPOIQPRDYESE-GOSISDBHSA-N 2 1 288.435 3.363 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000037150453 369069167 /nfs/dbraw/zinc/06/91/67/369069167.db2.gz MAZMSTHJQMRWQX-AWEZNQCLSA-N 2 1 276.424 3.307 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000037292708 369079963 /nfs/dbraw/zinc/07/99/63/369079963.db2.gz GRDZHIMHAJTXTR-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000037292708 369079966 /nfs/dbraw/zinc/07/99/66/369079966.db2.gz GRDZHIMHAJTXTR-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 ZINC000037643639 369093489 /nfs/dbraw/zinc/09/34/89/369093489.db2.gz MLADNOLBOGJIRM-QBPKDAKJSA-N 2 1 266.473 3.379 20 0 CGADMP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649455 369098305 /nfs/dbraw/zinc/09/83/05/369098305.db2.gz HNBCBJLQKUYZEC-UGSOOPFHSA-N 2 1 288.410 3.351 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1(C)CC1 ZINC000037901160 369123973 /nfs/dbraw/zinc/12/39/73/369123973.db2.gz LQVUNYIPCMZJEJ-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000127221977 370950265 /nfs/dbraw/zinc/95/02/65/370950265.db2.gz RGHDEHOGKSPFHW-VYDXJSESSA-N 2 1 272.436 3.037 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)o1 ZINC000044729594 369269221 /nfs/dbraw/zinc/26/92/21/369269221.db2.gz RNOLJSCSZQICPY-PRTUASRFSA-N 2 1 262.397 3.172 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)o1 ZINC000044729594 369269228 /nfs/dbraw/zinc/26/92/28/369269228.db2.gz RNOLJSCSZQICPY-PRTUASRFSA-N 2 1 262.397 3.172 20 0 CGADMP COCC(C)(C)C[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000494311305 244279242 /nfs/dbraw/zinc/27/92/42/244279242.db2.gz MBMULJNTAXHJON-MRXNPFEDSA-N 2 1 284.488 3.005 20 0 CGADMP C(=C\c1ccncc1)\C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000494933799 244334004 /nfs/dbraw/zinc/33/40/04/244334004.db2.gz VYPIGVGWHGPZKP-LKIHTYOGSA-N 2 1 285.435 3.045 20 0 CGADMP C(=C\c1ccncc1)\C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000494933799 244334009 /nfs/dbraw/zinc/33/40/09/244334009.db2.gz VYPIGVGWHGPZKP-LKIHTYOGSA-N 2 1 285.435 3.045 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000045074296 369274568 /nfs/dbraw/zinc/27/45/68/369274568.db2.gz BARMIUIJTNWQHL-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326251 189772503 /nfs/dbraw/zinc/77/25/03/189772503.db2.gz RQPDGZXEVMJUKI-STQMWFEESA-N 2 1 266.816 3.462 20 0 CGADMP CC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000128037263 370958792 /nfs/dbraw/zinc/95/87/92/370958792.db2.gz AJFZMBOWHDINTN-SSHXOBKSSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000128988095 370970470 /nfs/dbraw/zinc/97/04/70/370970470.db2.gz XUDAELKEWDJOKT-INMHGKMJSA-N 2 1 290.451 3.292 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000128988095 370970472 /nfs/dbraw/zinc/97/04/72/370970472.db2.gz XUDAELKEWDJOKT-INMHGKMJSA-N 2 1 290.451 3.292 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062077587 369617725 /nfs/dbraw/zinc/61/77/25/369617725.db2.gz WVSNEVSRQNPOCO-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(C)o1 ZINC000062078286 369619053 /nfs/dbraw/zinc/61/90/53/369619053.db2.gz NCZOKRVMWDGEHP-TZMCWYRMSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC000072858629 369841783 /nfs/dbraw/zinc/84/17/83/369841783.db2.gz INAJCEFGJFFQMN-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000072858629 369841788 /nfs/dbraw/zinc/84/17/88/369841788.db2.gz INAJCEFGJFFQMN-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000072858629 369841793 /nfs/dbraw/zinc/84/17/93/369841793.db2.gz INAJCEFGJFFQMN-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000090721522 370066283 /nfs/dbraw/zinc/06/62/83/370066283.db2.gz RXHQAVYYUUTAHL-RISCZKNCSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2csc3ccccc23)CC[N@H+]1C ZINC000090721152 370066509 /nfs/dbraw/zinc/06/65/09/370066509.db2.gz QFRBMBZTQITXHO-JSGCOSHPSA-N 2 1 274.433 3.474 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090721608 370066661 /nfs/dbraw/zinc/06/66/61/370066661.db2.gz SBAYXKXFHDBSSO-GOEBONIOSA-N 2 1 276.424 3.046 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638626 370151629 /nfs/dbraw/zinc/15/16/29/370151629.db2.gz FSBLQJZRGGVIOG-WBMJQRKESA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638626 370151633 /nfs/dbraw/zinc/15/16/33/370151633.db2.gz FSBLQJZRGGVIOG-WBMJQRKESA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638626 370151636 /nfs/dbraw/zinc/15/16/36/370151636.db2.gz FSBLQJZRGGVIOG-WBMJQRKESA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638626 370151638 /nfs/dbraw/zinc/15/16/38/370151638.db2.gz FSBLQJZRGGVIOG-WBMJQRKESA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC000093770488 370158674 /nfs/dbraw/zinc/15/86/74/370158674.db2.gz KIDYJRZNVDYFBV-QGZVFWFLSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093770488 370158679 /nfs/dbraw/zinc/15/86/79/370158679.db2.gz KIDYJRZNVDYFBV-QGZVFWFLSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093770488 370158681 /nfs/dbraw/zinc/15/86/81/370158681.db2.gz KIDYJRZNVDYFBV-QGZVFWFLSA-N 2 1 260.425 3.077 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000093770462 370158915 /nfs/dbraw/zinc/15/89/15/370158915.db2.gz VGJXTLNVYYPDJU-DWTRPJMMSA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000093770462 370158917 /nfs/dbraw/zinc/15/89/17/370158917.db2.gz VGJXTLNVYYPDJU-DWTRPJMMSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093770462 370158919 /nfs/dbraw/zinc/15/89/19/370158919.db2.gz VGJXTLNVYYPDJU-DWTRPJMMSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093770462 370158922 /nfs/dbraw/zinc/15/89/22/370158922.db2.gz VGJXTLNVYYPDJU-DWTRPJMMSA-N 2 1 276.399 3.113 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000513684044 245089441 /nfs/dbraw/zinc/08/94/41/245089441.db2.gz OHGFMUZFYNUOOC-ULQDDVLXSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000513673921 245090242 /nfs/dbraw/zinc/09/02/42/245090242.db2.gz ZSKNPJHQPWRRTD-QCRHNUIXSA-N 2 1 284.447 3.395 20 0 CGADMP CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513714084 245094338 /nfs/dbraw/zinc/09/43/38/245094338.db2.gz XZPOWRDCUZAAMA-FGTMMUONSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200227 370492411 /nfs/dbraw/zinc/49/24/11/370492411.db2.gz WAUKGEKOFHXFDB-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200227 370492416 /nfs/dbraw/zinc/49/24/16/370492416.db2.gz WAUKGEKOFHXFDB-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000129580893 370993714 /nfs/dbraw/zinc/99/37/14/370993714.db2.gz PMPWWEDNFZUPIF-HUBLWGQQSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000129580893 370993715 /nfs/dbraw/zinc/99/37/15/370993715.db2.gz PMPWWEDNFZUPIF-HUBLWGQQSA-N 2 1 266.816 3.473 20 0 CGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccsc1 ZINC000119030510 370637725 /nfs/dbraw/zinc/63/77/25/370637725.db2.gz AKDGSUSSVZMZRQ-CQSZACIVSA-N 2 1 252.427 3.054 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3ncccc3c2)CCN1C ZINC000130644603 371048317 /nfs/dbraw/zinc/04/83/17/371048317.db2.gz JXVNCPYTQUSJOX-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000130644603 371048323 /nfs/dbraw/zinc/04/83/23/371048323.db2.gz JXVNCPYTQUSJOX-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3ncccc3c2)CC[NH+]1C ZINC000130644603 371048340 /nfs/dbraw/zinc/04/83/40/371048340.db2.gz JXVNCPYTQUSJOX-RHSMWYFYSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)c2ccsc2S1 ZINC000130174639 371017241 /nfs/dbraw/zinc/01/72/41/371017241.db2.gz NRMNBJCJYDDTPV-JQWIXIFHSA-N 2 1 270.467 3.215 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000131865059 371134545 /nfs/dbraw/zinc/13/45/45/371134545.db2.gz UJTWDDWHBVBEFG-ZLIFDBKOSA-N 2 1 252.361 3.482 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000132060620 371148392 /nfs/dbraw/zinc/14/83/92/371148392.db2.gz ZCHXSBBZZBSQGB-NWDGAFQWSA-N 2 1 297.240 3.099 20 0 CGADMP Cc1ccsc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132180850 371155722 /nfs/dbraw/zinc/15/57/22/371155722.db2.gz LHYJBABNRNIAOX-KBPBESRZSA-N 2 1 258.390 3.291 20 0 CGADMP Cc1ccsc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132180647 371156527 /nfs/dbraw/zinc/15/65/27/371156527.db2.gz LHYJBABNRNIAOX-UONOGXRCSA-N 2 1 258.390 3.291 20 0 CGADMP C[N@@H+](CCC[NH3+])C1c2ccccc2-c2ccccc21 ZINC000133740843 371275639 /nfs/dbraw/zinc/27/56/39/371275639.db2.gz QOBDAFLJHNWTDJ-UHFFFAOYSA-N 2 1 252.361 3.037 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000220325274 376207660 /nfs/dbraw/zinc/20/76/60/376207660.db2.gz YPGFIRBIKIJVSI-UHFFFAOYSA-N 2 1 254.805 3.065 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150754943 371536144 /nfs/dbraw/zinc/53/61/44/371536144.db2.gz TWYVEEJXPSWMMB-JKSUJKDBSA-N 2 1 258.409 3.165 20 0 CGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccccc2OC)C1 ZINC000151111205 371569492 /nfs/dbraw/zinc/56/94/92/371569492.db2.gz CXHXUBUPFBGNPO-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000151111205 371569494 /nfs/dbraw/zinc/56/94/94/371569494.db2.gz CXHXUBUPFBGNPO-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000151111205 371569497 /nfs/dbraw/zinc/56/94/97/371569497.db2.gz CXHXUBUPFBGNPO-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CC1 ZINC000151168043 371578595 /nfs/dbraw/zinc/57/85/95/371578595.db2.gz NELVCXYXRSDSGY-HOTGVXAUSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CC1 ZINC000151168043 371578602 /nfs/dbraw/zinc/57/86/02/371578602.db2.gz NELVCXYXRSDSGY-HOTGVXAUSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087133 371601566 /nfs/dbraw/zinc/60/15/66/371601566.db2.gz PCFAHZQTLQRSQW-PMPSAXMXSA-N 2 1 298.434 3.006 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC000421824431 371647192 /nfs/dbraw/zinc/64/71/92/371647192.db2.gz IPIAPZXMNPKAAW-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1OCC ZINC000151960110 371658837 /nfs/dbraw/zinc/65/88/37/371658837.db2.gz RJKYKSZFNRTZMO-CQSZACIVSA-N 2 1 294.439 3.086 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422718148 371765389 /nfs/dbraw/zinc/76/53/89/371765389.db2.gz PFHMYVBRLJPWGK-KBPBESRZSA-N 2 1 269.392 3.339 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000289580804 371765500 /nfs/dbraw/zinc/76/55/00/371765500.db2.gz HJBHSQLTOHFFBC-IEBWSBKVSA-N 2 1 297.446 3.354 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422718092 371765964 /nfs/dbraw/zinc/76/59/64/371765964.db2.gz WMIJQYSXUDHTGU-UAGQMJEPSA-N 2 1 260.425 3.422 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1Cl ZINC000422753428 371785053 /nfs/dbraw/zinc/78/50/53/371785053.db2.gz IGTWLUBQKSSCNO-MDFVCYEDSA-N 2 1 282.790 3.413 20 0 CGADMP C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1c[nH+]ccc1N ZINC000422770554 371794406 /nfs/dbraw/zinc/79/44/06/371794406.db2.gz QIBPJZORGBUTQY-GFCCVEGCSA-N 2 1 285.366 3.016 20 0 CGADMP C[C@@H]([NH2+]CCSCc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000422775003 371798670 /nfs/dbraw/zinc/79/86/70/371798670.db2.gz ZJOOCVLCHPJYLA-CJNGLKHVSA-N 2 1 296.455 3.179 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)Sc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422794992 371813568 /nfs/dbraw/zinc/81/35/68/371813568.db2.gz VDEPKESKQQKISP-KBMXLJTQSA-N 2 1 278.465 3.287 20 0 CGADMP c1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000422868582 371846562 /nfs/dbraw/zinc/84/65/62/371846562.db2.gz VNXCVLUTRCEZOQ-JKSUJKDBSA-N 2 1 272.417 3.331 20 0 CGADMP CCOc1ccccc1[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422884489 371853789 /nfs/dbraw/zinc/85/37/89/371853789.db2.gz XCOFYTKHWFZYBV-KJFZJZGVSA-N 2 1 288.435 3.409 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1c[nH+]ccc1N ZINC000422892840 371857756 /nfs/dbraw/zinc/85/77/56/371857756.db2.gz ZMNHJBVXHJTMGU-CYBMUJFWSA-N 2 1 294.402 3.259 20 0 CGADMP CN(C/C=C/c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289969562 371864902 /nfs/dbraw/zinc/86/49/02/371864902.db2.gz ZHROOSAYSOFNTD-JAHQTHFBSA-N 2 1 288.410 3.396 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289969562 371864904 /nfs/dbraw/zinc/86/49/04/371864904.db2.gz ZHROOSAYSOFNTD-JAHQTHFBSA-N 2 1 288.410 3.396 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289969562 371864908 /nfs/dbraw/zinc/86/49/08/371864908.db2.gz ZHROOSAYSOFNTD-JAHQTHFBSA-N 2 1 288.410 3.396 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000422913383 371865597 /nfs/dbraw/zinc/86/55/97/371865597.db2.gz PWHNPGQVTKAAGN-IAGOWNOFSA-N 2 1 288.435 3.368 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1nccc2ccccc21 ZINC000290019527 371878592 /nfs/dbraw/zinc/87/85/92/371878592.db2.gz ZYNLIXGKADTVJQ-OAHLLOKOSA-N 2 1 283.419 3.371 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422937329 371881782 /nfs/dbraw/zinc/88/17/82/371881782.db2.gz JMJAWVCSWJGHGV-MOPGFXCFSA-N 2 1 296.414 3.235 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000422861616 371842762 /nfs/dbraw/zinc/84/27/62/371842762.db2.gz ORDVEYBLJPTHAP-AXFHLTTASA-N 2 1 269.458 3.217 20 0 CGADMP C[C@H]([NH2+]CCc1ccc(F)cc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000422956254 371890634 /nfs/dbraw/zinc/89/06/34/371890634.db2.gz OXGJBIOZRZPRLM-NHYWBVRUSA-N 2 1 284.806 3.142 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(F)cccc1Cl ZINC000237348009 189873519 /nfs/dbraw/zinc/87/35/19/189873519.db2.gz ILZIHSLAEOJQDO-NSHDSACASA-N 2 1 295.789 3.410 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422989955 371904113 /nfs/dbraw/zinc/90/41/13/371904113.db2.gz MRBHNPPRAMTZCQ-YJBOKZPZSA-N 2 1 290.451 3.138 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNc2ccccc2F)c2ccccc21 ZINC000423038290 371928116 /nfs/dbraw/zinc/92/81/16/371928116.db2.gz YFWWVKRKDBOWRP-SJLPKXTDSA-N 2 1 299.393 3.362 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423104258 371967117 /nfs/dbraw/zinc/96/71/17/371967117.db2.gz YDAVRYBDNZVUJX-WNOSKKOXSA-N 2 1 276.399 3.049 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290342352 371968285 /nfs/dbraw/zinc/96/82/85/371968285.db2.gz FMMNUMFLZPTKRY-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353134 371970499 /nfs/dbraw/zinc/97/04/99/371970499.db2.gz GETOCYGKABTDJD-QAPCUYQASA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353134 371970509 /nfs/dbraw/zinc/97/05/09/371970509.db2.gz GETOCYGKABTDJD-QAPCUYQASA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353134 371970517 /nfs/dbraw/zinc/97/05/17/371970517.db2.gz GETOCYGKABTDJD-QAPCUYQASA-N 2 1 283.419 3.084 20 0 CGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318669 541863699 /nfs/dbraw/zinc/86/36/99/541863699.db2.gz CGKVALWENDMAJG-KRWDZBQOSA-N 2 1 288.460 3.191 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCSC3)C2)c2ccccc21 ZINC000423168194 371999316 /nfs/dbraw/zinc/99/93/16/371999316.db2.gz XOQMNSFIUOSGHF-ZACQAIPSSA-N 2 1 288.460 3.350 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423193991 372019378 /nfs/dbraw/zinc/01/93/78/372019378.db2.gz XWHGJISLHGHUFG-QZTJIDSGSA-N 2 1 289.467 3.366 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000423198673 372023064 /nfs/dbraw/zinc/02/30/64/372023064.db2.gz HDGWCFYPYJCFHB-MRXNPFEDSA-N 2 1 276.424 3.223 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccs1 ZINC000423200728 372024654 /nfs/dbraw/zinc/02/46/54/372024654.db2.gz MYVCFSQFBCEPAM-GFCCVEGCSA-N 2 1 252.427 3.450 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000423206449 372030837 /nfs/dbraw/zinc/03/08/37/372030837.db2.gz WYIHUUFHVIKKEE-MRXNPFEDSA-N 2 1 276.424 3.223 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000423208591 372032222 /nfs/dbraw/zinc/03/22/22/372032222.db2.gz ZJUZLAXGWMHBFC-CYBMUJFWSA-N 2 1 258.365 3.207 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221426 372039945 /nfs/dbraw/zinc/03/99/45/372039945.db2.gz ZUTAOWILHMKRTO-QWHCGFSZSA-N 2 1 296.842 3.389 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccccc21)C1CCCCC1 ZINC000423269599 372045913 /nfs/dbraw/zinc/04/59/13/372045913.db2.gz VXBHQOFVZYCTRV-IRXDYDNUSA-N 2 1 258.409 3.171 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423310706 372050309 /nfs/dbraw/zinc/05/03/09/372050309.db2.gz AUXASQXUJSQIMD-MLGOLLRUSA-N 2 1 260.425 3.372 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000158104971 372051749 /nfs/dbraw/zinc/05/17/49/372051749.db2.gz JKXORAHPXFRJAM-JKSUJKDBSA-N 2 1 274.452 3.284 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423362952 372056333 /nfs/dbraw/zinc/05/63/33/372056333.db2.gz IOMCQZFVZUFBPW-HYSWKAIVSA-N 2 1 294.389 3.189 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cnn1C(C)(C)C ZINC000423175352 372004948 /nfs/dbraw/zinc/00/49/48/372004948.db2.gz DSRUGKFHOULQHW-CYBMUJFWSA-N 2 1 292.471 3.259 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)COC2 ZINC000423176668 372006003 /nfs/dbraw/zinc/00/60/03/372006003.db2.gz HSGJRAHEEYLBTQ-CYBMUJFWSA-N 2 1 274.408 3.029 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423179001 372008824 /nfs/dbraw/zinc/00/88/24/372008824.db2.gz CQLWAJQRMJKRRC-WHOHXGKFSA-N 2 1 284.856 3.235 20 0 CGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423457105 372065318 /nfs/dbraw/zinc/06/53/18/372065318.db2.gz FJBJXSMSLQVEKR-VCBZYWHSSA-N 2 1 298.430 3.304 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000423482314 372068025 /nfs/dbraw/zinc/06/80/25/372068025.db2.gz XIWRGBVVCYZUPW-XJKSGUPXSA-N 2 1 264.388 3.384 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2sccc21)C1CCCC1 ZINC000423508674 372070975 /nfs/dbraw/zinc/07/09/75/372070975.db2.gz IZQXHQGCTJSPGU-KBPBESRZSA-N 2 1 264.438 3.233 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292788501 372211598 /nfs/dbraw/zinc/21/15/98/372211598.db2.gz MFBHAHWPMAEBPH-CABCVRRESA-N 2 1 280.362 3.300 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292871233 372233303 /nfs/dbraw/zinc/23/33/03/372233303.db2.gz WMYNXMKRAKAMGT-MAUKXSAKSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292871233 372233308 /nfs/dbraw/zinc/23/33/08/372233308.db2.gz WMYNXMKRAKAMGT-MAUKXSAKSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292871233 372233312 /nfs/dbraw/zinc/23/33/12/372233312.db2.gz WMYNXMKRAKAMGT-MAUKXSAKSA-N 2 1 290.426 3.174 20 0 CGADMP C[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]c4ccsc43)C2)C1 ZINC000292890691 372240406 /nfs/dbraw/zinc/24/04/06/372240406.db2.gz VUBHFFKROJPPCZ-INIZCTEOSA-N 2 1 287.432 3.218 20 0 CGADMP C[N@H+]1CCC[C@]2(CCN(c3cc[nH+]c4ccsc43)C2)C1 ZINC000292890691 372240408 /nfs/dbraw/zinc/24/04/08/372240408.db2.gz VUBHFFKROJPPCZ-INIZCTEOSA-N 2 1 287.432 3.218 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4ccccc4s3)C2)C1 ZINC000429014123 372305413 /nfs/dbraw/zinc/30/54/13/372305413.db2.gz XVJYELMSIUHGTO-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000429014123 372305418 /nfs/dbraw/zinc/30/54/18/372305418.db2.gz XVJYELMSIUHGTO-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000429014123 372305421 /nfs/dbraw/zinc/30/54/21/372305421.db2.gz XVJYELMSIUHGTO-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000162034636 372367940 /nfs/dbraw/zinc/36/79/40/372367940.db2.gz CWAAXDZAPJUOHP-CVEARBPZSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000162034636 372367946 /nfs/dbraw/zinc/36/79/46/372367946.db2.gz CWAAXDZAPJUOHP-CVEARBPZSA-N 2 1 261.413 3.236 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC)[C@H](C)C1 ZINC000429427044 372365069 /nfs/dbraw/zinc/36/50/69/372365069.db2.gz NJWMGWTVIOBQRL-HZPDHXFCSA-N 2 1 284.488 3.149 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163350033 372463795 /nfs/dbraw/zinc/46/37/95/372463795.db2.gz ABHGOGRSKGRZAS-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP CCCOc1cc(C)ccc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000167671734 372600598 /nfs/dbraw/zinc/60/05/98/372600598.db2.gz HRZYPSKQCDXFSD-WBVHZDCISA-N 2 1 290.451 3.356 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000167671734 372600609 /nfs/dbraw/zinc/60/06/09/372600609.db2.gz HRZYPSKQCDXFSD-WBVHZDCISA-N 2 1 290.451 3.356 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC000166322399 372570510 /nfs/dbraw/zinc/57/05/10/372570510.db2.gz UJLXEZZMFJVJIT-QGTPRVQTSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@H+]1C ZINC000166322399 372570517 /nfs/dbraw/zinc/57/05/17/372570517.db2.gz UJLXEZZMFJVJIT-QGTPRVQTSA-N 2 1 272.436 3.080 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccsc1C ZINC000294067213 372571212 /nfs/dbraw/zinc/57/12/12/372571212.db2.gz YFKZROLLGKVBEF-UHFFFAOYSA-N 2 1 263.410 3.084 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccsc1C ZINC000294067213 372571218 /nfs/dbraw/zinc/57/12/18/372571218.db2.gz YFKZROLLGKVBEF-UHFFFAOYSA-N 2 1 263.410 3.084 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377426 372572192 /nfs/dbraw/zinc/57/21/92/372572192.db2.gz QQDWQEPOKLSAGF-YQQAZPJKSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377426 372572196 /nfs/dbraw/zinc/57/21/96/372572196.db2.gz QQDWQEPOKLSAGF-YQQAZPJKSA-N 2 1 298.434 3.006 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000166639792 372577996 /nfs/dbraw/zinc/57/79/96/372577996.db2.gz MGAAOVSJNHWYAH-ZACQAIPSSA-N 2 1 276.399 3.493 20 0 CGADMP Clc1ccc2c(NCC[C@H]3CCC[NH2+]3)cc[nH+]c2c1 ZINC000166849163 372584138 /nfs/dbraw/zinc/58/41/38/372584138.db2.gz LMIFWCVHJWBXHA-GFCCVEGCSA-N 2 1 275.783 3.442 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2O1 ZINC000295028479 372688440 /nfs/dbraw/zinc/68/84/40/372688440.db2.gz LINHYRSWJNUZMG-KCYZZUKISA-N 2 1 286.419 3.115 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2O1 ZINC000295028479 372688446 /nfs/dbraw/zinc/68/84/46/372688446.db2.gz LINHYRSWJNUZMG-KCYZZUKISA-N 2 1 286.419 3.115 20 0 CGADMP Cc1ccc([C@@]2(C)CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000434747966 372706584 /nfs/dbraw/zinc/70/65/84/372706584.db2.gz NUINQESVNFBSSQ-OALUTQOASA-N 2 1 286.463 3.443 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000434747966 372706591 /nfs/dbraw/zinc/70/65/91/372706591.db2.gz NUINQESVNFBSSQ-OALUTQOASA-N 2 1 286.463 3.443 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000434747966 372706599 /nfs/dbraw/zinc/70/65/99/372706599.db2.gz NUINQESVNFBSSQ-OALUTQOASA-N 2 1 286.463 3.443 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000435874313 372821550 /nfs/dbraw/zinc/82/15/50/372821550.db2.gz JAXASJHBJKOZJS-UHFFFAOYSA-N 2 1 268.404 3.414 20 0 CGADMP C([NH2+][C@@H]1CCCSC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435747057 372801278 /nfs/dbraw/zinc/80/12/78/372801278.db2.gz DBLHJOUCCGKELV-GDBMZVCRSA-N 2 1 282.497 3.269 20 0 CGADMP C([NH2+][C@@H]1CCCSC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435747057 372801283 /nfs/dbraw/zinc/80/12/83/372801283.db2.gz DBLHJOUCCGKELV-GDBMZVCRSA-N 2 1 282.497 3.269 20 0 CGADMP C([NH2+][C@H]1CCCSC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435747058 372801455 /nfs/dbraw/zinc/80/14/55/372801455.db2.gz DBLHJOUCCGKELV-GOEBONIOSA-N 2 1 282.497 3.269 20 0 CGADMP C([NH2+][C@H]1CCCSC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435747058 372801460 /nfs/dbraw/zinc/80/14/60/372801460.db2.gz DBLHJOUCCGKELV-GOEBONIOSA-N 2 1 282.497 3.269 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000353462810 220098200 /nfs/dbraw/zinc/09/82/00/220098200.db2.gz PIAHMSWPJKOFRC-USXIJHARSA-N 2 1 276.399 3.097 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102304 372881365 /nfs/dbraw/zinc/88/13/65/372881365.db2.gz DJHFQBXTCTUHBC-JKIFEVAISA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102304 372881375 /nfs/dbraw/zinc/88/13/75/372881375.db2.gz DJHFQBXTCTUHBC-JKIFEVAISA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102304 372881385 /nfs/dbraw/zinc/88/13/85/372881385.db2.gz DJHFQBXTCTUHBC-JKIFEVAISA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102304 372881391 /nfs/dbraw/zinc/88/13/91/372881391.db2.gz DJHFQBXTCTUHBC-JKIFEVAISA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102304 372881397 /nfs/dbraw/zinc/88/13/97/372881397.db2.gz DJHFQBXTCTUHBC-JKIFEVAISA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCCOc2ccccc2)CC[N@H+]1C ZINC000438182123 372905523 /nfs/dbraw/zinc/90/55/23/372905523.db2.gz HABYGPFSQXDYNC-DLBZAZTESA-N 2 1 290.451 3.308 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000353503317 220123443 /nfs/dbraw/zinc/12/34/43/220123443.db2.gz OKMWYKUYPIVRPB-YTQUADARSA-N 2 1 295.430 3.197 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000353537745 220143225 /nfs/dbraw/zinc/14/32/25/220143225.db2.gz QXCPZFJFMTVDGO-INIZCTEOSA-N 2 1 281.419 3.239 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000296327465 373092230 /nfs/dbraw/zinc/09/22/30/373092230.db2.gz HCNHQYSPLUKFHK-JALIKCBVSA-N 2 1 264.438 3.414 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000296360511 373105094 /nfs/dbraw/zinc/10/50/94/373105094.db2.gz HYUUMEWDPNPTBK-STQMWFEESA-N 2 1 275.421 3.166 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccc2ccccc2c1 ZINC000442759978 373072490 /nfs/dbraw/zinc/07/24/90/373072490.db2.gz MMTBBPCMXAAPBK-GDBMZVCRSA-N 2 1 268.404 3.051 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1c1ccccc1 ZINC000296510494 373158554 /nfs/dbraw/zinc/15/85/54/373158554.db2.gz PLWFWPBDBVIMJY-VOPPSRPRSA-N 2 1 284.447 3.393 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000296516502 373160974 /nfs/dbraw/zinc/16/09/74/373160974.db2.gz PSGABXRWIVVYFW-HZTRTUMWSA-N 2 1 288.435 3.279 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442889761 373122054 /nfs/dbraw/zinc/12/20/54/373122054.db2.gz LMHGUMJKWDHALX-IAGOWNOFSA-N 2 1 297.531 3.063 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1Cl ZINC000442922802 373127966 /nfs/dbraw/zinc/12/79/66/373127966.db2.gz LAVNUOAMLPKDHM-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000443013960 373141040 /nfs/dbraw/zinc/14/10/40/373141040.db2.gz MYTWNEUWBDRAFZ-UHFFFAOYSA-N 2 1 297.324 3.309 20 0 CGADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000444608133 373210974 /nfs/dbraw/zinc/21/09/74/373210974.db2.gz KODYQERXXFISFC-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC000444616211 373212736 /nfs/dbraw/zinc/21/27/36/373212736.db2.gz CDSIVJGJCRBGQA-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000296774075 373242158 /nfs/dbraw/zinc/24/21/58/373242158.db2.gz LMMKBYVSLPIOSU-SUMWQHHRSA-N 2 1 296.405 3.484 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000296774075 373242165 /nfs/dbraw/zinc/24/21/65/373242165.db2.gz LMMKBYVSLPIOSU-SUMWQHHRSA-N 2 1 296.405 3.484 20 0 CGADMP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C[C@@H](C)O1 ZINC000353599295 220183651 /nfs/dbraw/zinc/18/36/51/220183651.db2.gz WZSXVDBIFIDEDN-RTKZEXODSA-N 2 1 294.483 3.043 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cccnc32)[C@H](C)C1 ZINC000174770160 373363052 /nfs/dbraw/zinc/36/30/52/373363052.db2.gz LNWMEUINKOFWQO-QAPCUYQASA-N 2 1 297.446 3.397 20 0 CGADMP CC(C)CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353622910 220198287 /nfs/dbraw/zinc/19/82/87/220198287.db2.gz PNDVMPZPOXAJPN-XHSDSOJGSA-N 2 1 284.513 3.228 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724167 373475353 /nfs/dbraw/zinc/47/53/53/373475353.db2.gz UIQIHGDWKZYYTG-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724167 373475362 /nfs/dbraw/zinc/47/53/62/373475362.db2.gz UIQIHGDWKZYYTG-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724167 373475370 /nfs/dbraw/zinc/47/53/70/373475370.db2.gz UIQIHGDWKZYYTG-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC)C1 ZINC000176275062 373576514 /nfs/dbraw/zinc/57/65/14/373576514.db2.gz MXDYCOJFFYHREH-INIZCTEOSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC)C1 ZINC000176275062 373576520 /nfs/dbraw/zinc/57/65/20/373576520.db2.gz MXDYCOJFFYHREH-INIZCTEOSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCC)C1 ZINC000176275062 373576523 /nfs/dbraw/zinc/57/65/23/373576523.db2.gz MXDYCOJFFYHREH-INIZCTEOSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC)C1 ZINC000176275062 373576527 /nfs/dbraw/zinc/57/65/27/373576527.db2.gz MXDYCOJFFYHREH-INIZCTEOSA-N 2 1 290.451 3.249 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300078684 373618802 /nfs/dbraw/zinc/61/88/02/373618802.db2.gz MVKUZDYHQRIBPG-NUEKZKHPSA-N 2 1 262.441 3.053 20 0 CGADMP CCc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)nc(C)[nH+]1 ZINC000301372428 373764598 /nfs/dbraw/zinc/76/45/98/373764598.db2.gz VVFDTLOISFLDSW-INIZCTEOSA-N 2 1 284.407 3.062 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178971919 373822811 /nfs/dbraw/zinc/82/28/11/373822811.db2.gz OWWMNUSGQOBFKW-SFHVURJKSA-N 2 1 272.436 3.256 20 0 CGADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000178976084 373823691 /nfs/dbraw/zinc/82/36/91/373823691.db2.gz PXUTYCSZFQGZGG-UHFFFAOYSA-N 2 1 264.457 3.422 20 0 CGADMP COCCC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178506342 373786250 /nfs/dbraw/zinc/78/62/50/373786250.db2.gz HLHADVGWBQOGJH-XHSDSOJGSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000178620690 373799982 /nfs/dbraw/zinc/79/99/82/373799982.db2.gz ZMNTZMLMPAESJG-FUHWJXTLSA-N 2 1 298.430 3.495 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000178620690 373799990 /nfs/dbraw/zinc/79/99/90/373799990.db2.gz ZMNTZMLMPAESJG-FUHWJXTLSA-N 2 1 298.430 3.495 20 0 CGADMP COc1cccc2c(NCC(C)(C)[NH+](C)C)cc(C)[nH+]c12 ZINC000302556929 373895745 /nfs/dbraw/zinc/89/57/45/373895745.db2.gz LRWSABQHXYPSDS-UHFFFAOYSA-N 2 1 287.407 3.304 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000449785029 373915667 /nfs/dbraw/zinc/91/56/67/373915667.db2.gz ZIWOZISYDAHPCU-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000449785029 373915673 /nfs/dbraw/zinc/91/56/73/373915673.db2.gz ZIWOZISYDAHPCU-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000449785026 373915932 /nfs/dbraw/zinc/91/59/32/373915932.db2.gz ZIWOZISYDAHPCU-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000449785026 373915937 /nfs/dbraw/zinc/91/59/37/373915937.db2.gz ZIWOZISYDAHPCU-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CCc1cc(N2CCC[N@H+](C3CCCC3)CC2)cc[nH+]1 ZINC000450342858 374069820 /nfs/dbraw/zinc/06/98/20/374069820.db2.gz BKVKDYRDMQWDMT-UHFFFAOYSA-N 2 1 273.424 3.099 20 0 CGADMP Clc1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000450428943 374120054 /nfs/dbraw/zinc/12/00/54/374120054.db2.gz JTZDBKMKLIYADN-MRXNPFEDSA-N 2 1 292.854 3.300 20 0 CGADMP CCc1ccc2[nH+]ccc(N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2c1 ZINC000450431541 374125418 /nfs/dbraw/zinc/12/54/18/374125418.db2.gz ZWMKHFRWOJKNRR-HNAYVOBHSA-N 2 1 295.430 3.328 20 0 CGADMP CCc1ccc2[nH+]ccc(N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2c1 ZINC000450431540 374125448 /nfs/dbraw/zinc/12/54/48/374125448.db2.gz ZWMKHFRWOJKNRR-DNVCBOLYSA-N 2 1 295.430 3.328 20 0 CGADMP C[C@]1(C[NH2+]Cc2cccnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000309694974 374192617 /nfs/dbraw/zinc/19/26/17/374192617.db2.gz DTXSQBGQRQVFBX-LJQANCHMSA-N 2 1 295.430 3.083 20 0 CGADMP C[C@]1(C[NH2+]Cc2cccnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309694974 374192622 /nfs/dbraw/zinc/19/26/22/374192622.db2.gz DTXSQBGQRQVFBX-LJQANCHMSA-N 2 1 295.430 3.083 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000309893779 374201471 /nfs/dbraw/zinc/20/14/71/374201471.db2.gz FPZQVEGWYKXPFI-SZMVWBNQSA-N 2 1 270.420 3.039 20 0 CGADMP CCC[N@@H+](CCCCC1CCOCC1)C1CC[NH2+]CC1 ZINC000312229462 374271475 /nfs/dbraw/zinc/27/14/75/374271475.db2.gz FEYUMDUZGMWYAD-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000311398933 374240775 /nfs/dbraw/zinc/24/07/75/374240775.db2.gz CLEPYJCLSMMBQZ-RDHHWEPZSA-N 2 1 266.473 3.379 20 0 CGADMP CCc1nc(C)cc(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000312914359 374294660 /nfs/dbraw/zinc/29/46/60/374294660.db2.gz VIBBXIWKZBRMGM-CQSZACIVSA-N 2 1 276.428 3.024 20 0 CGADMP CCc1nc(NCCC[N@@H+]2CCCC[C@H]2C)cc(C)[nH+]1 ZINC000312914359 374294671 /nfs/dbraw/zinc/29/46/71/374294671.db2.gz VIBBXIWKZBRMGM-CQSZACIVSA-N 2 1 276.428 3.024 20 0 CGADMP CCc1nc(NCCC[N@H+]2CCCC[C@H]2C)cc(C)[nH+]1 ZINC000312914359 374294677 /nfs/dbraw/zinc/29/46/77/374294677.db2.gz VIBBXIWKZBRMGM-CQSZACIVSA-N 2 1 276.428 3.024 20 0 CGADMP C[N@H+]1CCC[C@H](CNCc2cc(Cl)sc2Cl)C1 ZINC000312602988 374284100 /nfs/dbraw/zinc/28/41/00/374284100.db2.gz NWMFOZXYXSXZAG-SECBINFHSA-N 2 1 293.263 3.486 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700421 374336459 /nfs/dbraw/zinc/33/64/59/374336459.db2.gz BWPSWVCYQAQEKX-ZOBUZTSGSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700421 374336466 /nfs/dbraw/zinc/33/64/66/374336466.db2.gz BWPSWVCYQAQEKX-ZOBUZTSGSA-N 3 1 298.434 3.006 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)s1 ZINC000322881885 374354986 /nfs/dbraw/zinc/35/49/86/374354986.db2.gz BQBUAJDKZQYJQE-GOOCMWNKSA-N 2 1 264.438 3.080 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000453395991 374473071 /nfs/dbraw/zinc/47/30/71/374473071.db2.gz IKLTXQDBPSZARH-HZPDHXFCSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666617 374708467 /nfs/dbraw/zinc/70/84/67/374708467.db2.gz XRSCQMAQZAZVNB-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000459783950 374821415 /nfs/dbraw/zinc/82/14/15/374821415.db2.gz NNMUBPXFBAAGTP-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCC2CC2)cn1 ZINC000186261819 374822628 /nfs/dbraw/zinc/82/26/28/374822628.db2.gz ZEGNKRQKTSHIKH-CYBMUJFWSA-N 2 1 284.407 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CCCCCC1 ZINC000186872599 374931183 /nfs/dbraw/zinc/93/11/83/374931183.db2.gz DATCONLIVCFARK-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CCCCCC1 ZINC000186872599 374931187 /nfs/dbraw/zinc/93/11/87/374931187.db2.gz DATCONLIVCFARK-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1 ZINC000187363936 375011313 /nfs/dbraw/zinc/01/13/13/375011313.db2.gz WNCHDPTZTGKMCX-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1 ZINC000187363936 375011323 /nfs/dbraw/zinc/01/13/23/375011323.db2.gz WNCHDPTZTGKMCX-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)ccc2n1 ZINC000187363936 375011331 /nfs/dbraw/zinc/01/13/31/375011331.db2.gz WNCHDPTZTGKMCX-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)ccc2n1 ZINC000187363936 375011332 /nfs/dbraw/zinc/01/13/32/375011332.db2.gz WNCHDPTZTGKMCX-CRAIPNDOSA-N 2 1 297.446 3.458 20 0 CGADMP COC[C@H](C)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000187427204 375020587 /nfs/dbraw/zinc/02/05/87/375020587.db2.gz HASDGDKUZJYFMY-IAGOWNOFSA-N 2 1 296.499 3.245 20 0 CGADMP Clc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000335043529 375088074 /nfs/dbraw/zinc/08/80/74/375088074.db2.gz OUCUOTRDDWUEGG-YIONKMFJSA-N 2 1 276.811 3.202 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CC1([NH3+])CCCCC1)CCC2 ZINC000335006398 375066696 /nfs/dbraw/zinc/06/66/96/375066696.db2.gz DCILOJCBJRYJMB-GFCCVEGCSA-N 2 1 279.453 3.080 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H](C)[C@H]1C)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000482896000 375172263 /nfs/dbraw/zinc/17/22/63/375172263.db2.gz TXLKWIQTGRWULM-JGPUMOJJSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C)[C@@H]1C)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482896000 375172266 /nfs/dbraw/zinc/17/22/66/375172266.db2.gz TXLKWIQTGRWULM-JGPUMOJJSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C)[C@@H]1C)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000482896000 375172275 /nfs/dbraw/zinc/17/22/75/375172275.db2.gz TXLKWIQTGRWULM-JGPUMOJJSA-N 2 1 252.446 3.083 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC1CCCCC1 ZINC000483247608 375177556 /nfs/dbraw/zinc/17/75/56/375177556.db2.gz NWHJITPXGCHACU-FGTMMUONSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)n1cncc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000335083390 375116498 /nfs/dbraw/zinc/11/64/98/375116498.db2.gz HULLZABGUCDLSG-LSDHHAIUSA-N 2 1 279.453 3.324 20 0 CGADMP CC(C)n1cncc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000335083390 375116502 /nfs/dbraw/zinc/11/65/02/375116502.db2.gz HULLZABGUCDLSG-LSDHHAIUSA-N 2 1 279.453 3.324 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189135175 375330999 /nfs/dbraw/zinc/33/09/99/375330999.db2.gz MHGHMDBYDFBTJK-OAHLLOKOSA-N 2 1 261.413 3.284 20 0 CGADMP C[C@@H](C[NH2+]Cc1cnc(C2CCCC2)s1)C[NH+](C)C ZINC000491592562 375334986 /nfs/dbraw/zinc/33/49/86/375334986.db2.gz WTXZVCBRMMQAAS-LBPRGKRZSA-N 2 1 281.469 3.088 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000335687372 375347498 /nfs/dbraw/zinc/34/74/98/375347498.db2.gz WQSBRMNJMKOSAT-AEFFLSMTSA-N 2 1 272.436 3.397 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335991548 375598888 /nfs/dbraw/zinc/59/88/88/375598888.db2.gz GIUOEJGEOODIFQ-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335991548 375598898 /nfs/dbraw/zinc/59/88/98/375598898.db2.gz GIUOEJGEOODIFQ-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc2cccnc12 ZINC000335991548 375598905 /nfs/dbraw/zinc/59/89/05/375598905.db2.gz GIUOEJGEOODIFQ-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc2cccnc12 ZINC000335991548 375598911 /nfs/dbraw/zinc/59/89/11/375598911.db2.gz GIUOEJGEOODIFQ-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc(C)c1O ZINC000336000003 375606667 /nfs/dbraw/zinc/60/66/67/375606667.db2.gz FYPPEIIRPQNDPG-UHFFFAOYSA-N 2 1 288.435 3.069 20 0 CGADMP Clc1ccc(Cl)c(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000336005415 375611848 /nfs/dbraw/zinc/61/18/48/375611848.db2.gz ZOPIGTUYMQHRJK-LLVKDONJSA-N 2 1 296.201 3.364 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)cc2F)CC1 ZINC000336069344 375661465 /nfs/dbraw/zinc/66/14/65/375661465.db2.gz QYRHNAJXJAQDPS-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(F)cc2F)CC1 ZINC000336069344 375661469 /nfs/dbraw/zinc/66/14/69/375661469.db2.gz QYRHNAJXJAQDPS-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cocn2)CC1 ZINC000191948695 375682780 /nfs/dbraw/zinc/68/27/80/375682780.db2.gz RFHDQODZWGZFKY-OAHLLOKOSA-N 2 1 291.439 3.151 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cocn2)CC1 ZINC000191948695 375682783 /nfs/dbraw/zinc/68/27/83/375682783.db2.gz RFHDQODZWGZFKY-OAHLLOKOSA-N 2 1 291.439 3.151 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123916856 542029979 /nfs/dbraw/zinc/02/99/79/542029979.db2.gz LQJJOMINWQEVGY-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123928175 542030144 /nfs/dbraw/zinc/03/01/44/542030144.db2.gz SWLLRLQAXASWKW-PBHICJAKSA-N 2 1 272.436 3.343 20 0 CGADMP C[N@H+]1CCC[C@@H]1CCN1CCc2cc(Cl)ccc2C1 ZINC000192242498 375715540 /nfs/dbraw/zinc/71/55/40/375715540.db2.gz XSGLPBGAEOQDLQ-MRXNPFEDSA-N 2 1 278.827 3.182 20 0 CGADMP C[N@@H+]1CCCC12CCN(c1cc[nH+]c3ccsc31)CC2 ZINC000336179489 375751765 /nfs/dbraw/zinc/75/17/65/375751765.db2.gz GXDGCDIHTKRNQU-UHFFFAOYSA-N 2 1 287.432 3.361 20 0 CGADMP C[N@H+]1CCCC12CCN(c1cc[nH+]c3ccsc31)CC2 ZINC000336179489 375751769 /nfs/dbraw/zinc/75/17/69/375751769.db2.gz GXDGCDIHTKRNQU-UHFFFAOYSA-N 2 1 287.432 3.361 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192633854 375775170 /nfs/dbraw/zinc/77/51/70/375775170.db2.gz XMRFAEVLTMWTDY-OAHLLOKOSA-N 2 1 259.397 3.066 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCc2ccccc2)CC[N@H+]1C ZINC000128729272 542053623 /nfs/dbraw/zinc/05/36/23/542053623.db2.gz GLHNGVBLAKNDKK-RDJZCZTQSA-N 2 1 260.425 3.082 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192867349 375797893 /nfs/dbraw/zinc/79/78/93/375797893.db2.gz PGBMEHNFGDLNKC-GOOCMWNKSA-N 2 1 284.403 3.456 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192867349 375797899 /nfs/dbraw/zinc/79/78/99/375797899.db2.gz PGBMEHNFGDLNKC-GOOCMWNKSA-N 2 1 284.403 3.456 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCC1 ZINC000129002532 542054769 /nfs/dbraw/zinc/05/47/69/542054769.db2.gz VSTGMOZAKJJKHW-INIZCTEOSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193332561 375861938 /nfs/dbraw/zinc/86/19/38/375861938.db2.gz HIDLEOURTUFIKP-YESZJQIVSA-N 2 1 264.457 3.252 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000336656012 375896717 /nfs/dbraw/zinc/89/67/17/375896717.db2.gz JVRBZLPZLVGJDU-HLLBOEOZSA-N 2 1 260.425 3.143 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000336691899 375904635 /nfs/dbraw/zinc/90/46/35/375904635.db2.gz AFINVKVDYXFZPS-HNNXBMFYSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000336691899 375904643 /nfs/dbraw/zinc/90/46/43/375904643.db2.gz AFINVKVDYXFZPS-HNNXBMFYSA-N 2 1 250.430 3.149 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000193363918 375869851 /nfs/dbraw/zinc/86/98/51/375869851.db2.gz MDAKJRQMGYKNMI-HDMKZQKVSA-N 2 1 289.467 3.327 20 0 CGADMP C[C@@H](CC[N@@H+](C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000193879966 375934460 /nfs/dbraw/zinc/93/44/60/375934460.db2.gz MIJTUUWMVYSQLM-INIZCTEOSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(Br)cs1 ZINC000193940404 375942563 /nfs/dbraw/zinc/94/25/63/375942563.db2.gz BWQPOPPACJUYKO-VIFPVBQESA-N 2 1 291.258 3.113 20 0 CGADMP COc1ccc(C)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000336841376 376002131 /nfs/dbraw/zinc/00/21/31/376002131.db2.gz ZQIQQUJDVRAFTE-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP COc1ccc(C)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000336841376 376002143 /nfs/dbraw/zinc/00/21/43/376002143.db2.gz ZQIQQUJDVRAFTE-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000336847300 376009214 /nfs/dbraw/zinc/00/92/14/376009214.db2.gz DKSQDPGOWIFVQU-CQSZACIVSA-N 2 1 287.407 3.330 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCCc2ccccc21 ZINC000535051052 376016122 /nfs/dbraw/zinc/01/61/22/376016122.db2.gz UDQWKFUUKFCVII-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCc2ccccc21 ZINC000535051052 376016127 /nfs/dbraw/zinc/01/61/27/376016127.db2.gz UDQWKFUUKFCVII-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@](C)(NCCCCn1cc[nH+]c1C)C(F)(F)F ZINC000535051624 376016227 /nfs/dbraw/zinc/01/62/27/376016227.db2.gz QYXHAXYRVJMWDA-LBPRGKRZSA-N 2 1 277.334 3.292 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194551630 376017937 /nfs/dbraw/zinc/01/79/37/376017937.db2.gz CYDUURCPZAVSRW-SFHVURJKSA-N 2 1 288.435 3.309 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)C[NH+](C)C ZINC000336828796 375989284 /nfs/dbraw/zinc/98/92/84/375989284.db2.gz ANHMTOKEOVCRJB-JTQLQIEISA-N 2 1 292.320 3.132 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000536652091 376110299 /nfs/dbraw/zinc/11/02/99/376110299.db2.gz CYNBVMXSVJICMV-UHFFFAOYSA-N 2 1 284.831 3.485 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000537294567 376161303 /nfs/dbraw/zinc/16/13/03/376161303.db2.gz FBAQPGDDMCCMTG-ZACQAIPSSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000537966094 376213185 /nfs/dbraw/zinc/21/31/85/376213185.db2.gz UJXILNGSNNSPFD-IOASZLSFSA-N 2 1 292.492 3.445 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337395245 376218498 /nfs/dbraw/zinc/21/84/98/376218498.db2.gz BOYZHBIIALAUCK-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337395245 376218503 /nfs/dbraw/zinc/21/85/03/376218503.db2.gz BOYZHBIIALAUCK-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(F)cc1F ZINC000221913322 376223704 /nfs/dbraw/zinc/22/37/04/376223704.db2.gz QAMJPTPXXHDEKU-GFCCVEGCSA-N 2 1 270.367 3.346 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000538953588 376281475 /nfs/dbraw/zinc/28/14/75/376281475.db2.gz IFTWNCHCPNVTSJ-NJAFHUGGSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000538953588 376281478 /nfs/dbraw/zinc/28/14/78/376281478.db2.gz IFTWNCHCPNVTSJ-NJAFHUGGSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000538953588 376281481 /nfs/dbraw/zinc/28/14/81/376281481.db2.gz IFTWNCHCPNVTSJ-NJAFHUGGSA-N 2 1 278.484 3.476 20 0 CGADMP C([C@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC000538717544 376257839 /nfs/dbraw/zinc/25/78/39/376257839.db2.gz IOKSXEWRPULFDK-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCC(F)(F)C3)CC[C@@H]21 ZINC000338279036 376311197 /nfs/dbraw/zinc/31/11/97/376311197.db2.gz IGVUAAUBCTUBRE-ZNMIVQPWSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)CC[C@@H]21 ZINC000338279036 376311202 /nfs/dbraw/zinc/31/12/02/376311202.db2.gz IGVUAAUBCTUBRE-ZNMIVQPWSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)CC[C@@H]21 ZINC000338279036 376311204 /nfs/dbraw/zinc/31/12/04/376311204.db2.gz IGVUAAUBCTUBRE-ZNMIVQPWSA-N 2 1 286.410 3.228 20 0 CGADMP C[N@@H+](CCCn1ccnc1)C[C@H]1CCCC(F)(F)C1 ZINC000338284900 376314510 /nfs/dbraw/zinc/31/45/10/376314510.db2.gz ZYFBITPAQPAUMC-ZDUSSCGKSA-N 2 1 271.355 3.031 20 0 CGADMP CC(C)SCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338291863 376317873 /nfs/dbraw/zinc/31/78/73/376317873.db2.gz NXIJTZQHHHJYED-GJZGRUSLSA-N 2 1 284.513 3.371 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226330792 376353132 /nfs/dbraw/zinc/35/31/32/376353132.db2.gz ZJQMBUVCHMEUPS-XNRPHZJLSA-N 2 1 264.388 3.336 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)[C@@H](C)CC)C12CCCC2 ZINC000224622498 376284709 /nfs/dbraw/zinc/28/47/09/376284709.db2.gz CGRSAKUJBGLXLP-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)[C@@H](C)CC)C12CCCC2 ZINC000224622498 376284717 /nfs/dbraw/zinc/28/47/17/376284717.db2.gz CGRSAKUJBGLXLP-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000226435351 376359707 /nfs/dbraw/zinc/35/97/07/376359707.db2.gz CZCPYVCCNRQWRE-LBPRGKRZSA-N 2 1 286.341 3.137 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226436092 376359835 /nfs/dbraw/zinc/35/98/35/376359835.db2.gz HQUAUPTUBINSNR-CQSZACIVSA-N 2 1 266.816 3.162 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)ccc2c1 ZINC000227054795 376379060 /nfs/dbraw/zinc/37/90/60/376379060.db2.gz WMUBETISEREAJW-SCLBCKFNSA-N 2 1 284.403 3.018 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1C(C)C ZINC000227074892 376380423 /nfs/dbraw/zinc/38/04/23/376380423.db2.gz SNCJOVHGQHCWBJ-YJBOKZPZSA-N 2 1 290.451 3.166 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCC)C2)C1(C)C ZINC000540597303 376383878 /nfs/dbraw/zinc/38/38/78/376383878.db2.gz LDLPINMBNDAJAR-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000227200433 376386012 /nfs/dbraw/zinc/38/60/12/376386012.db2.gz JQWQPTAFXDZHDK-GMXVVIOVSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000227200433 376386017 /nfs/dbraw/zinc/38/60/17/376386017.db2.gz JQWQPTAFXDZHDK-GMXVVIOVSA-N 2 1 297.240 3.179 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC000228477381 376438985 /nfs/dbraw/zinc/43/89/85/376438985.db2.gz ONOULKJNOXWILT-UEKVPHQBSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC000228477381 376438990 /nfs/dbraw/zinc/43/89/90/376438990.db2.gz ONOULKJNOXWILT-UEKVPHQBSA-N 2 1 282.790 3.038 20 0 CGADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000229621213 376467573 /nfs/dbraw/zinc/46/75/73/376467573.db2.gz QPDUVYDPWUCDEY-JKSUJKDBSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231455923 376557828 /nfs/dbraw/zinc/55/78/28/376557828.db2.gz JTNJBZVUIJAOLL-INIZCTEOSA-N 2 1 276.424 3.048 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]CC1 ZINC000231459114 376558443 /nfs/dbraw/zinc/55/84/43/376558443.db2.gz JNNMGHWYLVBEIS-AWEZNQCLSA-N 2 1 258.365 3.007 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231459528 376560310 /nfs/dbraw/zinc/56/03/10/376560310.db2.gz HGGQBETZFFNTQF-INIZCTEOSA-N 2 1 276.424 3.048 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000542469126 376545370 /nfs/dbraw/zinc/54/53/70/376545370.db2.gz MKKYPJTURWYBMO-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP CCN1CC[C@H]([N@@H+](C)[C@@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093561 376603912 /nfs/dbraw/zinc/60/39/12/376603912.db2.gz MGKFFKZPTIBJRY-LZWOXQAQSA-N 2 1 280.481 3.484 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093561 376603929 /nfs/dbraw/zinc/60/39/29/376603929.db2.gz MGKFFKZPTIBJRY-LZWOXQAQSA-N 2 1 280.481 3.484 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093561 376603936 /nfs/dbraw/zinc/60/39/36/376603936.db2.gz MGKFFKZPTIBJRY-LZWOXQAQSA-N 2 1 280.481 3.484 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000542702410 376570742 /nfs/dbraw/zinc/57/07/42/376570742.db2.gz VMFZZAAHGHXHDR-ZRUQZJFASA-N 2 1 294.389 3.252 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000231747708 376570947 /nfs/dbraw/zinc/57/09/47/376570947.db2.gz LSLXRMBIRYFAGT-SWLSCSKDSA-N 2 1 266.816 3.221 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000235415954 376639345 /nfs/dbraw/zinc/63/93/45/376639345.db2.gz VHROXPLDDZWQLK-HNNXBMFYSA-N 2 1 260.406 3.072 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000543438956 376642312 /nfs/dbraw/zinc/64/23/12/376642312.db2.gz ZVYRPCVXYFEGCC-OFLPRAFFSA-N 2 1 266.473 3.476 20 0 CGADMP CCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000339042839 376643183 /nfs/dbraw/zinc/64/31/83/376643183.db2.gz BWFCBVGGFHQYRW-VQIMIIECSA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000339042839 376643199 /nfs/dbraw/zinc/64/31/99/376643199.db2.gz BWFCBVGGFHQYRW-VQIMIIECSA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000339042839 376643203 /nfs/dbraw/zinc/64/32/03/376643203.db2.gz BWFCBVGGFHQYRW-VQIMIIECSA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000339042839 376643209 /nfs/dbraw/zinc/64/32/09/376643209.db2.gz BWFCBVGGFHQYRW-VQIMIIECSA-N 2 1 299.462 3.093 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339070415 376660136 /nfs/dbraw/zinc/66/01/36/376660136.db2.gz NMCLYTFUTQMNPQ-HUUCEWRRSA-N 2 1 294.439 3.264 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339070415 376660143 /nfs/dbraw/zinc/66/01/43/376660143.db2.gz NMCLYTFUTQMNPQ-HUUCEWRRSA-N 2 1 294.439 3.264 20 0 CGADMP Cc1nocc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000339171996 376723573 /nfs/dbraw/zinc/72/35/73/376723573.db2.gz ULSKNWYAJBDRLS-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP CC[C@H]1C[C@H](C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CCO1 ZINC000543744430 376673329 /nfs/dbraw/zinc/67/33/29/376673329.db2.gz ICUIEXXYFAHUCT-MSOLQXFVSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000155307130 542123087 /nfs/dbraw/zinc/12/30/87/542123087.db2.gz SCLRWBLJPPMIEV-JKIFEVAISA-N 2 1 290.426 3.176 20 0 CGADMP CCC[C@@]1(C)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245565111 376856263 /nfs/dbraw/zinc/85/62/63/376856263.db2.gz DOXPMXHBBSZROD-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@@]1(C)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245565111 376856269 /nfs/dbraw/zinc/85/62/69/376856269.db2.gz DOXPMXHBBSZROD-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@@]1(C)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245565111 376856273 /nfs/dbraw/zinc/85/62/73/376856273.db2.gz DOXPMXHBBSZROD-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245692287 376881889 /nfs/dbraw/zinc/88/18/89/376881889.db2.gz BRGVMNLWLDZNAD-YOEHRIQHSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245692287 376881899 /nfs/dbraw/zinc/88/18/99/376881899.db2.gz BRGVMNLWLDZNAD-YOEHRIQHSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245692287 376881907 /nfs/dbraw/zinc/88/19/07/376881907.db2.gz BRGVMNLWLDZNAD-YOEHRIQHSA-N 2 1 278.415 3.296 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000556943382 376908633 /nfs/dbraw/zinc/90/86/33/376908633.db2.gz QGCPZMAXASTUQN-SOLBZPMBSA-N 2 1 272.436 3.172 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000245906394 376932015 /nfs/dbraw/zinc/93/20/15/376932015.db2.gz UECWPOGFEDCXKE-ZMSDIMECSA-N 2 1 262.441 3.053 20 0 CGADMP CC[NH+](C/C=C\C[N@H+](CC)CC1CC1)CC1CC1 ZINC000340193943 376943862 /nfs/dbraw/zinc/94/38/62/376943862.db2.gz CCPGDDGWJFMVJA-WAYWQWQTSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CCOC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000340250847 376963914 /nfs/dbraw/zinc/96/39/14/376963914.db2.gz GIQDVYATDYRXLE-WBVHZDCISA-N 2 1 290.451 3.054 20 0 CGADMP CCc1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000340372083 377024692 /nfs/dbraw/zinc/02/46/92/377024692.db2.gz LEPCHABKSPORAO-QGZVFWFLSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000340372083 377024702 /nfs/dbraw/zinc/02/47/02/377024702.db2.gz LEPCHABKSPORAO-QGZVFWFLSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000340372083 377024711 /nfs/dbraw/zinc/02/47/11/377024711.db2.gz LEPCHABKSPORAO-QGZVFWFLSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000340372083 377024718 /nfs/dbraw/zinc/02/47/18/377024718.db2.gz LEPCHABKSPORAO-QGZVFWFLSA-N 2 1 260.425 3.165 20 0 CGADMP CSC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340373604 377026096 /nfs/dbraw/zinc/02/60/96/377026096.db2.gz VHGKONWIQNVTKS-HOTGVXAUSA-N 2 1 290.476 3.307 20 0 CGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340373604 377026098 /nfs/dbraw/zinc/02/60/98/377026098.db2.gz VHGKONWIQNVTKS-HOTGVXAUSA-N 2 1 290.476 3.307 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246429069 377028944 /nfs/dbraw/zinc/02/89/44/377028944.db2.gz STLJDAWQPIZGJL-HZPDHXFCSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246429069 377028952 /nfs/dbraw/zinc/02/89/52/377028952.db2.gz STLJDAWQPIZGJL-HZPDHXFCSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558698652 377034526 /nfs/dbraw/zinc/03/45/26/377034526.db2.gz WAQIFNSIFPTWOF-DMRKSPOLSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000558219435 376986059 /nfs/dbraw/zinc/98/60/59/376986059.db2.gz BJAXBFPMJOGRFK-FVQBIDKESA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000558219435 376986069 /nfs/dbraw/zinc/98/60/69/376986069.db2.gz BJAXBFPMJOGRFK-FVQBIDKESA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@]1(C)CCCO1 ZINC000340469791 377081066 /nfs/dbraw/zinc/08/10/66/377081066.db2.gz LSIRANZQIHCTMS-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246739555 377081111 /nfs/dbraw/zinc/08/11/11/377081111.db2.gz YMTDHRSYHCHEDZ-JKIFEVAISA-N 2 1 260.425 3.067 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccnc2)C(C)C)[C@@H](C)C1 ZINC000247007086 377136282 /nfs/dbraw/zinc/13/62/82/377136282.db2.gz KCQKCRFJBUQVEB-SZMVWBNQSA-N 2 1 289.467 3.141 20 0 CGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CC(C)C ZINC000247020805 377141790 /nfs/dbraw/zinc/14/17/90/377141790.db2.gz LSSWJVDOTSGKOR-VSZNYVQBSA-N 2 1 297.531 3.061 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247045673 377147957 /nfs/dbraw/zinc/14/79/57/377147957.db2.gz MYHLLJDYUJPWOU-CABCVRRESA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247045673 377147964 /nfs/dbraw/zinc/14/79/64/377147964.db2.gz MYHLLJDYUJPWOU-CABCVRRESA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H](C1CC1)[NH+](C)CCCC[N@H+](C)[C@H](C)C1CC1 ZINC000247117872 377162346 /nfs/dbraw/zinc/16/23/46/377162346.db2.gz WGIYSOUORZYYOU-ZIAGYGMSSA-N 2 1 252.446 3.227 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC)CCCC2)[C@H](C)C1 ZINC000247137640 377167931 /nfs/dbraw/zinc/16/79/31/377167931.db2.gz QSEBWIOLYUANPL-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247258038 377185779 /nfs/dbraw/zinc/18/57/79/377185779.db2.gz YYFVVDINJRLFEX-ZFWWWQNUSA-N 2 1 278.465 3.289 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247258038 377185783 /nfs/dbraw/zinc/18/57/83/377185783.db2.gz YYFVVDINJRLFEX-ZFWWWQNUSA-N 2 1 278.465 3.289 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@@H](C)C1 ZINC000248125241 377268800 /nfs/dbraw/zinc/26/88/00/377268800.db2.gz NVWFNWPBEVIMGK-QAETUUGQSA-N 2 1 296.499 3.148 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCCC2)[C@@H](C)C1 ZINC000248011420 377258961 /nfs/dbraw/zinc/25/89/61/377258961.db2.gz LIPDEIPEYLTSKD-JZXOWHBKSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043117 377260183 /nfs/dbraw/zinc/26/01/83/377260183.db2.gz MIUAUZHKHOYABL-MSOLQXFVSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043117 377260195 /nfs/dbraw/zinc/26/01/95/377260195.db2.gz MIUAUZHKHOYABL-MSOLQXFVSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043117 377260207 /nfs/dbraw/zinc/26/02/07/377260207.db2.gz MIUAUZHKHOYABL-MSOLQXFVSA-N 2 1 290.426 3.317 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000248066311 377264833 /nfs/dbraw/zinc/26/48/33/377264833.db2.gz ZMTAQWDAJXOMGI-KMFMINBZSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000248066311 377264840 /nfs/dbraw/zinc/26/48/40/377264840.db2.gz ZMTAQWDAJXOMGI-KMFMINBZSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248455334 377323926 /nfs/dbraw/zinc/32/39/26/377323926.db2.gz HUTQODWGMMJIID-WCXIOVBPSA-N 2 1 264.457 3.229 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000248157888 377274223 /nfs/dbraw/zinc/27/42/23/377274223.db2.gz RQPZYGVAYVMFEQ-WMZOPIPTSA-N 2 1 274.452 3.166 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248176141 377277850 /nfs/dbraw/zinc/27/78/50/377277850.db2.gz VPZVTGCOAOBLQQ-RYQLBKOJSA-N 2 1 272.436 3.472 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248176141 377277855 /nfs/dbraw/zinc/27/78/55/377277855.db2.gz VPZVTGCOAOBLQQ-RYQLBKOJSA-N 2 1 272.436 3.472 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248597277 377361644 /nfs/dbraw/zinc/36/16/44/377361644.db2.gz TYLNHFDHVPGMSW-QZTJIDSGSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)O1 ZINC000248883220 377421051 /nfs/dbraw/zinc/42/10/51/377421051.db2.gz GSCOAAUARSMZKJ-BRSBDYLESA-N 2 1 294.483 3.140 20 0 CGADMP CCCCc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000341197413 377442555 /nfs/dbraw/zinc/44/25/55/377442555.db2.gz UYRAEDNEIRUODL-UHFFFAOYSA-N 2 1 295.496 3.259 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1cccc(Cl)c1 ZINC000563348857 377446456 /nfs/dbraw/zinc/44/64/56/377446456.db2.gz DDOYNTLUKPBITI-LALPHHSUSA-N 2 1 266.816 3.255 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000563136153 377408420 /nfs/dbraw/zinc/40/84/20/377408420.db2.gz BMCHLLJPYUGOSV-WMZOPIPTSA-N 2 1 272.436 3.256 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC000563152548 377409525 /nfs/dbraw/zinc/40/95/25/377409525.db2.gz NNKANQWWOAYEGC-DJIMGWMZSA-N 2 1 292.854 3.332 20 0 CGADMP C[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248874191 377418605 /nfs/dbraw/zinc/41/86/05/377418605.db2.gz IUZDAWOOUDHXCN-MGLUKCQKSA-N 2 1 250.430 3.028 20 0 CGADMP CCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249786108 377533870 /nfs/dbraw/zinc/53/38/70/377533870.db2.gz RSZZUXGECRSPFB-BKAAIYKLSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](C[NH3+])[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414931683 249124336 /nfs/dbraw/zinc/12/43/36/249124336.db2.gz RRHACUOKZDJQMQ-KQQSKNTNSA-N 2 1 296.414 3.216 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000168758328 542178108 /nfs/dbraw/zinc/17/81/08/542178108.db2.gz HXIHQSSXLHBYQN-JJRVBVJISA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000168758328 542178109 /nfs/dbraw/zinc/17/81/09/542178109.db2.gz HXIHQSSXLHBYQN-JJRVBVJISA-N 2 1 276.399 3.493 20 0 CGADMP CCC[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000469887401 249161090 /nfs/dbraw/zinc/16/10/90/249161090.db2.gz GAOLVHYEPXJTHP-XMTFNYHQSA-N 2 1 272.436 3.239 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432406634 249133575 /nfs/dbraw/zinc/13/35/75/249133575.db2.gz IBYPMPXOOPIQDC-IRXDYDNUSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432406634 249133576 /nfs/dbraw/zinc/13/35/76/249133576.db2.gz IBYPMPXOOPIQDC-IRXDYDNUSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000250583794 377564040 /nfs/dbraw/zinc/56/40/40/377564040.db2.gz LHMISIWEXORCQM-HOCLYGCPSA-N 2 1 276.424 3.033 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000251101244 377573897 /nfs/dbraw/zinc/57/38/97/377573897.db2.gz RHPNUFKTWOKEPR-IKGGRYGDSA-N 2 1 276.399 3.493 20 0 CGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250841841 377567951 /nfs/dbraw/zinc/56/79/51/377567951.db2.gz FWZNAHSMWAJWBQ-YCPHGPKFSA-N 2 1 288.460 3.440 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000251245520 377577647 /nfs/dbraw/zinc/57/76/47/377577647.db2.gz ROPWWZNYAFSDMY-MJBXVCDLSA-N 2 1 264.438 3.334 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000518534496 249283080 /nfs/dbraw/zinc/28/30/80/249283080.db2.gz IKEINGIMOMTKGH-IUCAKERBSA-N 2 1 261.196 3.209 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OC(F)F)c1 ZINC000517438597 249265845 /nfs/dbraw/zinc/26/58/45/249265845.db2.gz GFLRQVCCFDTIJA-IUODEOHRSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OC(F)F)c1 ZINC000517438597 249265846 /nfs/dbraw/zinc/26/58/46/249265846.db2.gz GFLRQVCCFDTIJA-IUODEOHRSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000517438597 249265849 /nfs/dbraw/zinc/26/58/49/249265849.db2.gz GFLRQVCCFDTIJA-IUODEOHRSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000517438597 249265851 /nfs/dbraw/zinc/26/58/51/249265851.db2.gz GFLRQVCCFDTIJA-IUODEOHRSA-N 2 1 298.377 3.060 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000252673243 377650663 /nfs/dbraw/zinc/65/06/63/377650663.db2.gz HTOFIJLMOYHBJA-SJORKVTESA-N 2 1 258.409 3.020 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)cc1Cl ZINC000574921136 377725132 /nfs/dbraw/zinc/72/51/32/377725132.db2.gz MNFVTQYORNFCDL-UHFFFAOYSA-N 2 1 277.799 3.333 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000574997924 377736193 /nfs/dbraw/zinc/73/61/93/377736193.db2.gz BZUNAFGSHSYLJR-WCXIOVBPSA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccccc1/C=C\CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000255840209 377781143 /nfs/dbraw/zinc/78/11/43/377781143.db2.gz BOGDNQRNEAHPAA-ZKVFWIFDSA-N 2 1 288.435 3.123 20 0 CGADMP COc1ccccc1/C=C\C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000255840209 377781153 /nfs/dbraw/zinc/78/11/53/377781153.db2.gz BOGDNQRNEAHPAA-ZKVFWIFDSA-N 2 1 288.435 3.123 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000575172798 377757406 /nfs/dbraw/zinc/75/74/06/377757406.db2.gz GZQKQOWJXMLEMV-PEZLKRJXSA-N 2 1 288.435 3.025 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261569836 377818739 /nfs/dbraw/zinc/81/87/39/377818739.db2.gz KBLJPDMNLCBTEL-HUUCEWRRSA-N 2 1 266.816 3.462 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000261591840 377822872 /nfs/dbraw/zinc/82/28/72/377822872.db2.gz YCAPPFTXPFJKFT-VIFPVBQESA-N 2 1 260.303 3.093 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261583192 377823839 /nfs/dbraw/zinc/82/38/39/377823839.db2.gz RRIVFXBALDBCNH-GUBZILKMSA-N 2 1 260.303 3.092 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257708480 377799032 /nfs/dbraw/zinc/79/90/32/377799032.db2.gz SAKGUBWLMBFZQW-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257708480 377799037 /nfs/dbraw/zinc/79/90/37/377799037.db2.gz SAKGUBWLMBFZQW-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261962718 377873908 /nfs/dbraw/zinc/87/39/08/377873908.db2.gz HLQWEZBAMMRTMM-ZWKOTPCHSA-N 2 1 272.436 3.002 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]2C ZINC000261988589 377876122 /nfs/dbraw/zinc/87/61/22/377876122.db2.gz SBZQRZUGMHAGDC-RRFJBIMHSA-N 2 1 288.435 3.002 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261985708 377876586 /nfs/dbraw/zinc/87/65/86/377876586.db2.gz SFLXIZRDEGVBOP-INIZCTEOSA-N 2 1 298.430 3.150 20 0 CGADMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000262456442 377898560 /nfs/dbraw/zinc/89/85/60/377898560.db2.gz IDNNBJNBDWFDCQ-OKZBNKHCSA-N 2 1 295.430 3.102 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC12CCCCC2 ZINC000262039773 377882240 /nfs/dbraw/zinc/88/22/40/377882240.db2.gz PAPOYMNNBVYOCL-CVEARBPZSA-N 2 1 264.457 3.278 20 0 CGADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261733145 377848400 /nfs/dbraw/zinc/84/84/00/377848400.db2.gz HMXIWFXMVZZZFR-SFHVURJKSA-N 2 1 274.452 3.187 20 0 CGADMP CCC[N@H+]1CC[C@H](CNCc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000263255747 377923293 /nfs/dbraw/zinc/92/32/93/377923293.db2.gz QPBHOBMPJKFRLW-LZWOXQAQSA-N 2 1 276.424 3.225 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000263255747 377923298 /nfs/dbraw/zinc/92/32/98/377923298.db2.gz QPBHOBMPJKFRLW-LZWOXQAQSA-N 2 1 276.424 3.225 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000263255747 377923302 /nfs/dbraw/zinc/92/33/02/377923302.db2.gz QPBHOBMPJKFRLW-LZWOXQAQSA-N 2 1 276.424 3.225 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000343100751 377902844 /nfs/dbraw/zinc/90/28/44/377902844.db2.gz GSBDMEAPDPVTNJ-PXAZEXFGSA-N 2 1 290.838 3.401 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000578022963 378031838 /nfs/dbraw/zinc/03/18/38/378031838.db2.gz KPYDSKUMOTXSJE-HKUYNNGSSA-N 2 1 297.446 3.354 20 0 CGADMP CCCOCc1ccccc1CN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000343560942 378021070 /nfs/dbraw/zinc/02/10/70/378021070.db2.gz HMSIMIFQHTUNGJ-MAUKXSAKSA-N 2 1 290.451 3.043 20 0 CGADMP CCCOCc1ccccc1CN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343560942 378021077 /nfs/dbraw/zinc/02/10/77/378021077.db2.gz HMSIMIFQHTUNGJ-MAUKXSAKSA-N 2 1 290.451 3.043 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000577904958 378022908 /nfs/dbraw/zinc/02/29/08/378022908.db2.gz GKSIPTAQNMUADM-KBMXLJTQSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000577904958 378022910 /nfs/dbraw/zinc/02/29/10/378022910.db2.gz GKSIPTAQNMUADM-KBMXLJTQSA-N 2 1 252.446 3.297 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000268834096 378126872 /nfs/dbraw/zinc/12/68/72/378126872.db2.gz RNZVNOLRTGHEQW-HUUCEWRRSA-N 2 1 278.440 3.040 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000268849929 378130573 /nfs/dbraw/zinc/13/05/73/378130573.db2.gz WGDHXHIAMQXTTC-IBGZPJMESA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000344011553 378152392 /nfs/dbraw/zinc/15/23/92/378152392.db2.gz DSVMXJQVZRRLNH-JKSUJKDBSA-N 2 1 294.487 3.105 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000344011553 378152397 /nfs/dbraw/zinc/15/23/97/378152397.db2.gz DSVMXJQVZRRLNH-JKSUJKDBSA-N 2 1 294.487 3.105 20 0 CGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2CC2)CC1 ZINC000268736612 378098847 /nfs/dbraw/zinc/09/88/47/378098847.db2.gz YOMGDLFAQXWLAY-UHFFFAOYSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268748534 378103149 /nfs/dbraw/zinc/10/31/49/378103149.db2.gz TWBZBZTUFWFLRD-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268748534 378103152 /nfs/dbraw/zinc/10/31/52/378103152.db2.gz TWBZBZTUFWFLRD-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000268785931 378110950 /nfs/dbraw/zinc/11/09/50/378110950.db2.gz VQWPESNXZAOVAL-RVKKMQEKSA-N 2 1 297.446 3.096 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000580045960 378219987 /nfs/dbraw/zinc/21/99/87/378219987.db2.gz HCSFONALCIQWSW-CQSZACIVSA-N 2 1 266.454 3.186 20 0 CGADMP CC[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345195455 378219948 /nfs/dbraw/zinc/21/99/48/378219948.db2.gz BMQCFPZCIWSEQW-CYBMUJFWSA-N 2 1 284.806 3.443 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1F ZINC000579409532 378158469 /nfs/dbraw/zinc/15/84/69/378158469.db2.gz VRUOLIVOOPRTDL-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1F ZINC000579409532 378158471 /nfs/dbraw/zinc/15/84/71/378158471.db2.gz VRUOLIVOOPRTDL-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1F ZINC000579409532 378158472 /nfs/dbraw/zinc/15/84/72/378158472.db2.gz VRUOLIVOOPRTDL-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000579488877 378165849 /nfs/dbraw/zinc/16/58/49/378165849.db2.gz YVUWTNAQDCVSFG-BFYDXBDKSA-N 2 1 260.425 3.067 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000344763547 378178393 /nfs/dbraw/zinc/17/83/93/378178393.db2.gz FVDZZPDMHWIIKY-HIFRSBDPSA-N 2 1 281.469 3.133 20 0 CGADMP Cc1nc2ccc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)cc2s1 ZINC000579664501 378181331 /nfs/dbraw/zinc/18/13/31/378181331.db2.gz ZQHKIUNZSMMUNE-AWEZNQCLSA-N 2 1 289.448 3.036 20 0 CGADMP [NH3+]C[C@@H](C[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000583500628 378326013 /nfs/dbraw/zinc/32/60/13/378326013.db2.gz RZFJBDNMSCKFSX-ZOBUZTSGSA-N 2 1 276.399 3.133 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccccc1C ZINC000270823022 378403256 /nfs/dbraw/zinc/40/32/56/378403256.db2.gz JUMGTBVQBZHNMP-CQSZACIVSA-N 2 1 257.381 3.193 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccccc1C ZINC000270823022 378403259 /nfs/dbraw/zinc/40/32/59/378403259.db2.gz JUMGTBVQBZHNMP-CQSZACIVSA-N 2 1 257.381 3.193 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000270623417 378377896 /nfs/dbraw/zinc/37/78/96/378377896.db2.gz KGKKZQTUPQVTAD-OAHLLOKOSA-N 2 1 271.408 3.317 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000270623417 378377900 /nfs/dbraw/zinc/37/79/00/378377900.db2.gz KGKKZQTUPQVTAD-OAHLLOKOSA-N 2 1 271.408 3.317 20 0 CGADMP Cc1nccc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000346175525 378491932 /nfs/dbraw/zinc/49/19/32/378491932.db2.gz AKKMBFCYKYXEHB-KRWDZBQOSA-N 2 1 298.434 3.354 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271904008 378512405 /nfs/dbraw/zinc/51/24/05/378512405.db2.gz WCOCRAHNXACUOF-CABCVRRESA-N 2 1 288.435 3.039 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)CC1CCCCC1 ZINC000346301008 378537177 /nfs/dbraw/zinc/53/71/77/378537177.db2.gz DRHFQKIDUKFPJQ-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)CC1CCCCC1 ZINC000346301008 378537180 /nfs/dbraw/zinc/53/71/80/378537180.db2.gz DRHFQKIDUKFPJQ-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000346312348 378540465 /nfs/dbraw/zinc/54/04/65/378540465.db2.gz PLKVPOPBSDUYER-UHFFFAOYSA-N 2 1 285.435 3.410 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000346312348 378540469 /nfs/dbraw/zinc/54/04/69/378540469.db2.gz PLKVPOPBSDUYER-UHFFFAOYSA-N 2 1 285.435 3.410 20 0 CGADMP CC1(C)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000271997731 378541314 /nfs/dbraw/zinc/54/13/14/378541314.db2.gz CPBVNADAMHYMBL-KRWDZBQOSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@H]([NH2+]Cc1cc[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134337 378569564 /nfs/dbraw/zinc/56/95/64/378569564.db2.gz AAXHNMYZLOSNDT-MAUKXSAKSA-N 2 1 283.419 3.015 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000346570349 378626710 /nfs/dbraw/zinc/62/67/10/378626710.db2.gz VQKJCZRDUWUIFO-PVAVHDDUSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000346570349 378626714 /nfs/dbraw/zinc/62/67/14/378626714.db2.gz VQKJCZRDUWUIFO-PVAVHDDUSA-N 2 1 272.436 3.428 20 0 CGADMP Cc1ccccc1-c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000346674518 378671043 /nfs/dbraw/zinc/67/10/43/378671043.db2.gz WYBQNQDMZLDFEC-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000346674518 378671047 /nfs/dbraw/zinc/67/10/47/378671047.db2.gz WYBQNQDMZLDFEC-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000346693284 378678215 /nfs/dbraw/zinc/67/82/15/378678215.db2.gz LYASBJURJRCAIA-WDEREUQCSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000346693284 378678220 /nfs/dbraw/zinc/67/82/20/378678220.db2.gz LYASBJURJRCAIA-WDEREUQCSA-N 2 1 278.783 3.255 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000346694495 378678720 /nfs/dbraw/zinc/67/87/20/378678720.db2.gz UPHZHQVIVWSQIW-YIEVGGLXSA-N 2 1 282.378 3.283 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc2cccnc12 ZINC000346817817 378690221 /nfs/dbraw/zinc/69/02/21/378690221.db2.gz GCNYRHJIEHCXSD-OKZBNKHCSA-N 2 1 295.430 3.102 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000346832704 378692318 /nfs/dbraw/zinc/69/23/18/378692318.db2.gz MERUKQOFFXOQEB-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP CC[C@](C)(C[N@@H+]1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1)OC ZINC000637953584 378645001 /nfs/dbraw/zinc/64/50/01/378645001.db2.gz VLNAKPIBSJWGFU-WCXIOVBPSA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@](C)(CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953585 378645045 /nfs/dbraw/zinc/64/50/45/378645045.db2.gz VLNAKPIBSJWGFU-YYIAUSFCSA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@](C)(C[N@@H+]1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953585 378645052 /nfs/dbraw/zinc/64/50/52/378645052.db2.gz VLNAKPIBSJWGFU-YYIAUSFCSA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@](C)(C[N@H+]1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953585 378645059 /nfs/dbraw/zinc/64/50/59/378645059.db2.gz VLNAKPIBSJWGFU-YYIAUSFCSA-N 2 1 282.472 3.139 20 0 CGADMP Cc1scc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000638111688 378702750 /nfs/dbraw/zinc/70/27/50/378702750.db2.gz FWOIKGAXMCQZQG-OAHLLOKOSA-N 2 1 278.465 3.283 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2OC)C[C@@H]1C ZINC000638110724 378702969 /nfs/dbraw/zinc/70/29/69/378702969.db2.gz OZJIVPDOLHPRMV-JKSUJKDBSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2OC)C[C@@H]1C ZINC000638110724 378702974 /nfs/dbraw/zinc/70/29/74/378702974.db2.gz OZJIVPDOLHPRMV-JKSUJKDBSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2OC)C[C@@H]1C ZINC000638110724 378702980 /nfs/dbraw/zinc/70/29/80/378702980.db2.gz OZJIVPDOLHPRMV-JKSUJKDBSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2OC)C[C@@H]1C ZINC000638110724 378702984 /nfs/dbraw/zinc/70/29/84/378702984.db2.gz OZJIVPDOLHPRMV-JKSUJKDBSA-N 2 1 290.451 3.308 20 0 CGADMP Cn1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2ccccc21 ZINC000638114330 378705006 /nfs/dbraw/zinc/70/50/06/378705006.db2.gz ZBJSHRHTKMEVAN-INIZCTEOSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2ccccc21 ZINC000638114330 378705009 /nfs/dbraw/zinc/70/50/09/378705009.db2.gz ZBJSHRHTKMEVAN-INIZCTEOSA-N 2 1 297.446 3.096 20 0 CGADMP C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347927622 378731070 /nfs/dbraw/zinc/73/10/70/378731070.db2.gz IAWRMPSAHXQYCX-VXGBXAGGSA-N 2 1 278.362 3.181 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272965462 378731633 /nfs/dbraw/zinc/73/16/33/378731633.db2.gz QWRHFTWDMGNJRX-KYJSFNMBSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272965462 378731634 /nfs/dbraw/zinc/73/16/34/378731634.db2.gz QWRHFTWDMGNJRX-KYJSFNMBSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272965462 378731636 /nfs/dbraw/zinc/73/16/36/378731636.db2.gz QWRHFTWDMGNJRX-KYJSFNMBSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272965462 378731637 /nfs/dbraw/zinc/73/16/37/378731637.db2.gz QWRHFTWDMGNJRX-KYJSFNMBSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272965462 378731638 /nfs/dbraw/zinc/73/16/38/378731638.db2.gz QWRHFTWDMGNJRX-KYJSFNMBSA-N 2 1 290.426 3.173 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638318913 378769080 /nfs/dbraw/zinc/76/90/80/378769080.db2.gz XQISOPZYYMNROE-DOTOQJQBSA-N 2 1 256.393 3.107 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638318913 378769087 /nfs/dbraw/zinc/76/90/87/378769087.db2.gz XQISOPZYYMNROE-DOTOQJQBSA-N 2 1 256.393 3.107 20 0 CGADMP C[C@@]1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000638360587 378777225 /nfs/dbraw/zinc/77/72/25/378777225.db2.gz WSSGRIUIMBAYBV-MNEFBYGVSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc(F)c2N)C1 ZINC000638367791 378780882 /nfs/dbraw/zinc/78/08/82/378780882.db2.gz YCLUXYDTRGHKML-AWEZNQCLSA-N 2 1 293.430 3.010 20 0 CGADMP Cc1csc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)n1 ZINC000348107430 378794746 /nfs/dbraw/zinc/79/47/46/378794746.db2.gz IAFFLPMBJLPYKW-LBPRGKRZSA-N 2 1 278.425 3.087 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000348107092 378795278 /nfs/dbraw/zinc/79/52/78/378795278.db2.gz IQBAOQZBZRPVEO-HUUCEWRRSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000274395237 378825032 /nfs/dbraw/zinc/82/50/32/378825032.db2.gz DJOOWKKILDJYNH-CQSZACIVSA-N 2 1 294.414 3.276 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638587437 378842928 /nfs/dbraw/zinc/84/29/28/378842928.db2.gz CPMCLBWOATVCEC-CGTJXYLNSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348249371 378864851 /nfs/dbraw/zinc/86/48/51/378864851.db2.gz WWDBXWHRBFVPER-WCQYABFASA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348249371 378864856 /nfs/dbraw/zinc/86/48/56/378864856.db2.gz WWDBXWHRBFVPER-WCQYABFASA-N 2 1 289.345 3.244 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000348267068 378874987 /nfs/dbraw/zinc/87/49/87/378874987.db2.gz ZKSWDBKWSGDRRM-BPQIPLTHSA-N 2 1 272.436 3.112 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638838711 378931192 /nfs/dbraw/zinc/93/11/92/378931192.db2.gz NVLCBOGCRNMAPZ-UHFFFAOYSA-N 2 1 260.425 3.261 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000274919485 378917489 /nfs/dbraw/zinc/91/74/89/378917489.db2.gz IUIOCXGRIMGROP-OAHLLOKOSA-N 2 1 277.799 3.357 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc2cccnc12 ZINC000347031609 218099090 /nfs/dbraw/zinc/09/90/90/218099090.db2.gz AFRSCQYAQFBOFM-RHSMWYFYSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc2cccnc12 ZINC000347031609 218099091 /nfs/dbraw/zinc/09/90/91/218099091.db2.gz AFRSCQYAQFBOFM-RHSMWYFYSA-N 2 1 283.419 3.245 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000347046521 218104033 /nfs/dbraw/zinc/10/40/33/218104033.db2.gz ONQWAYKHBZHTBZ-KRWDZBQOSA-N 2 1 295.430 3.180 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000347024295 218097269 /nfs/dbraw/zinc/09/72/69/218097269.db2.gz QRCXRWWQPDTBQG-POFUSTEDSA-N 2 1 280.362 3.037 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000347024295 218097272 /nfs/dbraw/zinc/09/72/72/218097272.db2.gz QRCXRWWQPDTBQG-POFUSTEDSA-N 2 1 280.362 3.037 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347113862 218126779 /nfs/dbraw/zinc/12/67/79/218126779.db2.gz SDYMPDMCYZIYAY-ZDUSSCGKSA-N 2 1 272.392 3.166 20 0 CGADMP CC[C@H](CC(C)C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246223020 804217026 /nfs/dbraw/zinc/21/70/26/804217026.db2.gz UKEJZRUDHJTXLW-OLZOCXBDSA-N 2 1 262.388 3.036 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1Cl ZINC000347227881 218162536 /nfs/dbraw/zinc/16/25/36/218162536.db2.gz WPZGGIMHZGRPGB-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1Cl ZINC000347227881 218162537 /nfs/dbraw/zinc/16/25/37/218162537.db2.gz WPZGGIMHZGRPGB-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP CCC[N@H+](Cc1cc(C)ccc1F)C1CC[NH2+]CC1 ZINC000347186020 218148545 /nfs/dbraw/zinc/14/85/45/218148545.db2.gz ZMLPDTHSXZVPCX-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CCC[N@@H+](Cc1cc(C)ccc1F)C1CC[NH2+]CC1 ZINC000347186020 218148546 /nfs/dbraw/zinc/14/85/46/218148546.db2.gz ZMLPDTHSXZVPCX-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000347368311 218208545 /nfs/dbraw/zinc/20/85/45/218208545.db2.gz XRYUCTBCGAHACW-YJBOKZPZSA-N 2 1 297.446 3.097 20 0 CGADMP CC[N@H+](Cc1ccns1)Cc1ccc(C[NH+](C)C)cc1 ZINC000639171249 379092374 /nfs/dbraw/zinc/09/23/74/379092374.db2.gz VCMRVCDZCPJBRU-UHFFFAOYSA-N 2 1 289.448 3.227 20 0 CGADMP CC[N@@H+](Cc1ccns1)Cc1ccc(C[NH+](C)C)cc1 ZINC000639171249 379092387 /nfs/dbraw/zinc/09/23/87/379092387.db2.gz VCMRVCDZCPJBRU-UHFFFAOYSA-N 2 1 289.448 3.227 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348878656 379094743 /nfs/dbraw/zinc/09/47/43/379094743.db2.gz RESBULCEKOEMTM-FSGLHJGXSA-N 2 1 284.447 3.347 20 0 CGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348878656 379094762 /nfs/dbraw/zinc/09/47/62/379094762.db2.gz RESBULCEKOEMTM-FSGLHJGXSA-N 2 1 284.447 3.347 20 0 CGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348878656 379094775 /nfs/dbraw/zinc/09/47/75/379094775.db2.gz RESBULCEKOEMTM-FSGLHJGXSA-N 2 1 284.447 3.347 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1F ZINC000277356817 379140384 /nfs/dbraw/zinc/14/03/84/379140384.db2.gz DZNVINQHJZASPJ-HNNXBMFYSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1F ZINC000277356817 379140393 /nfs/dbraw/zinc/14/03/93/379140393.db2.gz DZNVINQHJZASPJ-HNNXBMFYSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)o1 ZINC000278848046 194181381 /nfs/dbraw/zinc/18/13/81/194181381.db2.gz VKVKVAUITIFQIW-AEGPPILISA-N 2 1 264.413 3.420 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000373495516 379290041 /nfs/dbraw/zinc/29/00/41/379290041.db2.gz NFCKBHKQKPGVKE-SJORKVTESA-N 2 1 283.419 3.227 20 0 CGADMP Cc1nccn1CCC[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000349410500 379269084 /nfs/dbraw/zinc/26/90/84/379269084.db2.gz VCSOPABMBQGAMR-AWEZNQCLSA-N 2 1 289.398 3.456 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000349410500 379269095 /nfs/dbraw/zinc/26/90/95/379269095.db2.gz VCSOPABMBQGAMR-AWEZNQCLSA-N 2 1 289.398 3.456 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000349410500 379269100 /nfs/dbraw/zinc/26/91/00/379269100.db2.gz VCSOPABMBQGAMR-AWEZNQCLSA-N 2 1 289.398 3.456 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000639379076 379337692 /nfs/dbraw/zinc/33/76/92/379337692.db2.gz MVFXRWWSWIAMCQ-UHFFFAOYSA-N 2 1 260.425 3.301 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2C)CC1 ZINC000639379442 379340821 /nfs/dbraw/zinc/34/08/21/379340821.db2.gz OEAZGHAVWKABPU-UHFFFAOYSA-N 2 1 260.425 3.301 20 0 CGADMP CC[C@@H](c1ccccc1OC)[N@H+](C)CCn1cc[nH+]c1C ZINC000347593027 218284193 /nfs/dbraw/zinc/28/41/93/218284193.db2.gz FXOVBGSHGBCOJO-INIZCTEOSA-N 2 1 287.407 3.283 20 0 CGADMP CC[C@@H](c1ccccc1OC)[N@@H+](C)CCn1cc[nH+]c1C ZINC000347593027 218284195 /nfs/dbraw/zinc/28/41/95/218284195.db2.gz FXOVBGSHGBCOJO-INIZCTEOSA-N 2 1 287.407 3.283 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000349811832 379395044 /nfs/dbraw/zinc/39/50/44/379395044.db2.gz ILCHELSYBCFKCH-QGZVFWFLSA-N 2 1 283.419 3.476 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000278346231 379356746 /nfs/dbraw/zinc/35/67/46/379356746.db2.gz HIDXGGOMBMZZAI-KRWDZBQOSA-N 2 1 292.492 3.370 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278951112 194226850 /nfs/dbraw/zinc/22/68/50/194226850.db2.gz LKBUCVMPGCCJGP-GJZGRUSLSA-N 2 1 269.392 3.105 20 0 CGADMP c1cncc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000639689955 379548031 /nfs/dbraw/zinc/54/80/31/379548031.db2.gz BVWCLPABLWUCDR-SFHVURJKSA-N 2 1 287.451 3.137 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H]3C)CCCC2)CC1 ZINC000350093570 379503733 /nfs/dbraw/zinc/50/37/33/379503733.db2.gz GAGPDESQAQJCBA-RDJZCZTQSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376409179 379550583 /nfs/dbraw/zinc/55/05/83/379550583.db2.gz MOORVPZBADEFEY-WWDZGPRUSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1F ZINC000278999427 194246607 /nfs/dbraw/zinc/24/66/07/194246607.db2.gz RFUJCKUZNUMNIK-CZUORRHYSA-N 2 1 287.382 3.326 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+](C)C ZINC000376584912 379584289 /nfs/dbraw/zinc/58/42/89/379584289.db2.gz DGBQIRMEGVJBGN-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccs1 ZINC000376596092 379586957 /nfs/dbraw/zinc/58/69/57/379586957.db2.gz TVBHJCLUNHZTPH-HSBZDZAISA-N 2 1 264.438 3.416 20 0 CGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4ccccc43)C2)CC1 ZINC000639754524 379570017 /nfs/dbraw/zinc/57/00/17/379570017.db2.gz BRXLBEXMKHHSHI-KRWDZBQOSA-N 2 1 270.420 3.092 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758798 379573054 /nfs/dbraw/zinc/57/30/54/379573054.db2.gz WIHNKHHXEWBCBQ-UHFFFAOYSA-N 2 1 290.476 3.326 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000640106659 379723171 /nfs/dbraw/zinc/72/31/71/379723171.db2.gz KJLXSIHFGSQRDF-MRXNPFEDSA-N 2 1 275.440 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000640106659 379723178 /nfs/dbraw/zinc/72/31/78/379723178.db2.gz KJLXSIHFGSQRDF-MRXNPFEDSA-N 2 1 275.440 3.255 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C2CC2)c1 ZINC000377803785 379744625 /nfs/dbraw/zinc/74/46/25/379744625.db2.gz ZUQVLCRETUSGJA-WMZOPIPTSA-N 2 1 295.430 3.186 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000267278463 190317579 /nfs/dbraw/zinc/31/75/79/190317579.db2.gz USNTVNKJNDPTNJ-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377619734 379705573 /nfs/dbraw/zinc/70/55/73/379705573.db2.gz DRYKAWCCBBFJGW-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377619734 379705579 /nfs/dbraw/zinc/70/55/79/379705579.db2.gz DRYKAWCCBBFJGW-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377619734 379705583 /nfs/dbraw/zinc/70/55/83/379705583.db2.gz DRYKAWCCBBFJGW-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP CCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352357055 379779337 /nfs/dbraw/zinc/77/93/37/379779337.db2.gz KAHWSNGOONWFFD-AWEZNQCLSA-N 2 1 262.397 3.422 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000352534527 379846925 /nfs/dbraw/zinc/84/69/25/379846925.db2.gz HLXHIOWEUPNXGE-ZDUSSCGKSA-N 2 1 279.453 3.114 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnc(C2CCC2)s1 ZINC000352534527 379846927 /nfs/dbraw/zinc/84/69/27/379846927.db2.gz HLXHIOWEUPNXGE-ZDUSSCGKSA-N 2 1 279.453 3.114 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc2cccnc12 ZINC000352540501 379849535 /nfs/dbraw/zinc/84/95/35/379849535.db2.gz LYNBAESHYKZVBI-KRWDZBQOSA-N 2 1 283.419 3.247 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000392190913 379911351 /nfs/dbraw/zinc/91/13/51/379911351.db2.gz MASMRDHRCBHGRO-UHFFFAOYSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352721215 379923009 /nfs/dbraw/zinc/92/30/09/379923009.db2.gz QPGPTNRJULTFNW-FHERZECASA-N 2 1 282.472 3.187 20 0 CGADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000352812809 379977290 /nfs/dbraw/zinc/97/72/90/379977290.db2.gz IJTZCLHTOYVHFA-INIZCTEOSA-N 2 1 289.467 3.388 20 0 CGADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000352813000 379977654 /nfs/dbraw/zinc/97/76/54/379977654.db2.gz IJTZCLHTOYVHFA-MRXNPFEDSA-N 2 1 289.467 3.388 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000352735343 379930916 /nfs/dbraw/zinc/93/09/16/379930916.db2.gz HHIGJLHRQRCYEA-FRRDWIJNSA-N 2 1 281.469 3.119 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352742341 379935189 /nfs/dbraw/zinc/93/51/89/379935189.db2.gz NNHLXXMOVCWWDL-OLZOCXBDSA-N 2 1 281.469 3.263 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)C[NH2+]1 ZINC000399180456 379936529 /nfs/dbraw/zinc/93/65/29/379936529.db2.gz LIYFYVWXRDXLNQ-RBSFLKMASA-N 2 1 250.430 3.220 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H](C)C1 ZINC000352781493 379956125 /nfs/dbraw/zinc/95/61/25/379956125.db2.gz ZOXSPPSKROHQAN-MBNYWOFBSA-N 2 1 281.469 3.119 20 0 CGADMP CCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000352780574 379956934 /nfs/dbraw/zinc/95/69/34/379956934.db2.gz YCNISXABQOIEGL-UHFFFAOYSA-N 2 1 281.469 3.265 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352825384 379985828 /nfs/dbraw/zinc/98/58/28/379985828.db2.gz PNGIHOKTJBSKEG-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352825384 379985837 /nfs/dbraw/zinc/98/58/37/379985837.db2.gz PNGIHOKTJBSKEG-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352825384 379985847 /nfs/dbraw/zinc/98/58/47/379985847.db2.gz PNGIHOKTJBSKEG-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C1CCC2(CCCC2)CC1)C1CC1 ZINC000352840546 379996586 /nfs/dbraw/zinc/99/65/86/379996586.db2.gz NPMLNVTYBYPXIR-MRXNPFEDSA-N 2 1 264.457 3.419 20 0 CGADMP CN1CC[C@H]2CC[N@@H+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995779 380068458 /nfs/dbraw/zinc/06/84/58/380068458.db2.gz NVEPOBHIYDMABD-XJKSGUPXSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@@H+]1CC[C@H]2CCN(Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995779 380068462 /nfs/dbraw/zinc/06/84/62/380068462.db2.gz NVEPOBHIYDMABD-XJKSGUPXSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@H+]1CC[C@H]2CCN(Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995779 380068465 /nfs/dbraw/zinc/06/84/65/380068465.db2.gz NVEPOBHIYDMABD-XJKSGUPXSA-N 2 1 286.444 3.427 20 0 CGADMP C[C@@H]([NH2+]CCc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347913613 218398234 /nfs/dbraw/zinc/39/82/34/218398234.db2.gz APBKEVKQVPBPQT-AEFFLSMTSA-N 2 1 298.430 3.322 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516655 380149419 /nfs/dbraw/zinc/14/94/19/380149419.db2.gz KIGZLSJVNBMUNM-ZMSDIMECSA-N 2 1 294.483 3.187 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)C[C@@H]1C ZINC000410395045 380093003 /nfs/dbraw/zinc/09/30/03/380093003.db2.gz KLEXKPRYIUPANO-JYJNAYRXSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)CC(C)C)C[C@@H]1C ZINC000410395045 380093013 /nfs/dbraw/zinc/09/30/13/380093013.db2.gz KLEXKPRYIUPANO-JYJNAYRXSA-N 2 1 254.462 3.473 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC(C)C ZINC000410406794 380093293 /nfs/dbraw/zinc/09/32/93/380093293.db2.gz WCFKPUMFTJLMNX-XHSDSOJGSA-N 2 1 252.446 3.227 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000642631043 380181863 /nfs/dbraw/zinc/18/18/63/380181863.db2.gz ZJVNAXFIPQCWPC-QZTJIDSGSA-N 2 1 272.436 3.356 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000286248267 380182471 /nfs/dbraw/zinc/18/24/71/380182471.db2.gz UHDHOMPGDCDTTI-CQSZACIVSA-N 2 1 272.396 3.026 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C[C@H]1CC=CCC1)C1CCCCC1 ZINC000642627133 380182679 /nfs/dbraw/zinc/18/26/79/380182679.db2.gz AJQWNUIENHPVJP-RDJZCZTQSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414199626 380201856 /nfs/dbraw/zinc/20/18/56/380201856.db2.gz XOKQNVXULPEYHT-IIDMSEBBSA-N 2 1 272.436 3.241 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)CC(F)(F)F ZINC000414251796 380203327 /nfs/dbraw/zinc/20/33/27/380203327.db2.gz IKSOOZZDBZNJQJ-REWJHTLYSA-N 2 1 292.389 3.427 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000353971221 380257703 /nfs/dbraw/zinc/25/77/03/380257703.db2.gz IZNOBQFHZDRRAQ-JXQTWKCFSA-N 2 1 274.399 3.274 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000353971221 380257709 /nfs/dbraw/zinc/25/77/09/380257709.db2.gz IZNOBQFHZDRRAQ-JXQTWKCFSA-N 2 1 274.399 3.274 20 0 CGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCC(C)CC1 ZINC000353611482 380214903 /nfs/dbraw/zinc/21/49/03/380214903.db2.gz YQQHMTQOIDGMRZ-XTJLLSPMSA-N 2 1 294.483 3.044 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000643502558 380326380 /nfs/dbraw/zinc/32/63/80/380326380.db2.gz KAMYYCRLODLHHA-ZACQAIPSSA-N 2 1 258.409 3.054 20 0 CGADMP c1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507260 380329977 /nfs/dbraw/zinc/32/99/77/380329977.db2.gz XJKPYWWBQHCKEB-SJORKVTESA-N 2 1 258.409 3.054 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508049 380331613 /nfs/dbraw/zinc/33/16/13/380331613.db2.gz GANQWZYJEGGOIP-CQSZACIVSA-N 2 1 264.413 3.124 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000643521448 380335436 /nfs/dbraw/zinc/33/54/36/380335436.db2.gz IWMSFMGTLAUGQN-QWHCGFSZSA-N 2 1 298.377 3.389 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548603 380364424 /nfs/dbraw/zinc/36/44/24/380364424.db2.gz RUFZAHIJUXOCRR-NEPJUHHUSA-N 2 1 280.437 3.082 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548604 380365463 /nfs/dbraw/zinc/36/54/63/380365463.db2.gz RUFZAHIJUXOCRR-NWDGAFQWSA-N 2 1 280.437 3.082 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC000414692375 380377036 /nfs/dbraw/zinc/37/70/36/380377036.db2.gz PWYPJFUYRQGHCP-HFTRVMKXSA-N 2 1 290.426 3.221 20 0 CGADMP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414693963 380377214 /nfs/dbraw/zinc/37/72/14/380377214.db2.gz SIQZKZYEEIURPG-DLBZAZTESA-N 2 1 290.451 3.076 20 0 CGADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414693963 380377219 /nfs/dbraw/zinc/37/72/19/380377219.db2.gz SIQZKZYEEIURPG-DLBZAZTESA-N 2 1 290.451 3.076 20 0 CGADMP [NH3+]CCC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000414695115 380378636 /nfs/dbraw/zinc/37/86/36/380378636.db2.gz OAFDBCBGAGVPNR-INIZCTEOSA-N 2 1 257.381 3.044 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc3ccccc3o2)CC[NH2+]1 ZINC000414703388 380381562 /nfs/dbraw/zinc/38/15/62/380381562.db2.gz JQIYMIXMLFIEEQ-KGLIPLIRSA-N 2 1 272.392 3.253 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414710259 380383800 /nfs/dbraw/zinc/38/38/00/380383800.db2.gz RTIHUZBNLXHAOE-UBHSHLNASA-N 2 1 295.496 3.395 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000643529927 380346444 /nfs/dbraw/zinc/34/64/44/380346444.db2.gz YGCVKWGYTUWCAX-QMTHXVAHSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000643529926 380346886 /nfs/dbraw/zinc/34/68/86/380346886.db2.gz YGCVKWGYTUWCAX-IINYFYTJSA-N 2 1 297.240 3.153 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643529178 380346984 /nfs/dbraw/zinc/34/69/84/380346984.db2.gz WMZOGAGFIJBSMJ-GXFFZTMASA-N 2 1 274.330 3.483 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1C(F)(F)F ZINC000414657602 380356938 /nfs/dbraw/zinc/35/69/38/380356938.db2.gz KOWZDEIBMLMAHC-RISCZKNCSA-N 2 1 286.341 3.183 20 0 CGADMP CCSc1cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000414659231 380357235 /nfs/dbraw/zinc/35/72/35/380357235.db2.gz KUFSXPQKHACQGN-UHFFFAOYSA-N 2 1 266.454 3.215 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545919 380357292 /nfs/dbraw/zinc/35/72/92/380357292.db2.gz FOWBVZDZKPPNFK-LSDHHAIUSA-N 2 1 288.435 3.329 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414664332 380359162 /nfs/dbraw/zinc/35/91/62/380359162.db2.gz CDYISNJMAIAQMQ-SZMVWBNQSA-N 2 1 272.436 3.038 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2cccc(F)c2)C2CC2)CC[NH2+]1 ZINC000414668534 380360382 /nfs/dbraw/zinc/36/03/82/380360382.db2.gz AEAFHWDYDDMKQI-UKRRQHHQSA-N 2 1 276.399 3.178 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cn1 ZINC000643547296 380361658 /nfs/dbraw/zinc/36/16/58/380361658.db2.gz CMUHLQAEXDJBPP-GDBMZVCRSA-N 2 1 291.414 3.182 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccsc1 ZINC000414811998 380423719 /nfs/dbraw/zinc/42/37/19/380423719.db2.gz KDXJPPRVZYZKJB-JSGCOSHPSA-N 2 1 254.443 3.176 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000414817271 380427468 /nfs/dbraw/zinc/42/74/68/380427468.db2.gz RWAUARZAPPSNHY-ZDUSSCGKSA-N 2 1 274.330 3.313 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000414816962 380428525 /nfs/dbraw/zinc/42/85/25/380428525.db2.gz RDKUQKCBKVERLF-CYBMUJFWSA-N 2 1 274.330 3.313 20 0 CGADMP COc1ccccc1/C=C/C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414831548 380440249 /nfs/dbraw/zinc/44/02/49/380440249.db2.gz CLCDDKIBTIFEGK-VDZSZVPASA-N 2 1 288.435 3.206 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856938 380458039 /nfs/dbraw/zinc/45/80/39/380458039.db2.gz ZSLYGARTQYEDHO-SUMWQHHRSA-N 2 1 278.415 3.254 20 0 CGADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414849487 380451684 /nfs/dbraw/zinc/45/16/84/380451684.db2.gz XPGRMJDBMGZODI-UHFFFAOYSA-N 2 1 298.434 3.136 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772475 380399178 /nfs/dbraw/zinc/39/91/78/380399178.db2.gz BUQLWKFSLZTLPS-JKSUJKDBSA-N 2 1 284.403 3.254 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000414803037 380416514 /nfs/dbraw/zinc/41/65/14/380416514.db2.gz CKVVZTZETSREMK-UHFFFAOYSA-N 2 1 293.436 3.319 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414811250 380421773 /nfs/dbraw/zinc/42/17/73/380421773.db2.gz PLPYZVYIHLGSLA-UHFFFAOYSA-N 2 1 289.448 3.417 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414866930 380464815 /nfs/dbraw/zinc/46/48/15/380464815.db2.gz NLBQJEWLMHTRMY-JYJNAYRXSA-N 2 1 278.827 3.318 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414868848 380466634 /nfs/dbraw/zinc/46/66/34/380466634.db2.gz KRGOUYLNJKXFPA-GFCCVEGCSA-N 2 1 288.357 3.226 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000268837052 190440232 /nfs/dbraw/zinc/44/02/32/190440232.db2.gz URHFRRYKRVDRTI-NSHDSACASA-N 2 1 295.333 3.144 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000355128625 380589558 /nfs/dbraw/zinc/58/95/58/380589558.db2.gz CXXIAALFOQESEV-RDGPPVDQSA-N 2 1 284.447 3.349 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC34CC4)CC2)cc1 ZINC000417367480 380611286 /nfs/dbraw/zinc/61/12/86/380611286.db2.gz PUAOKXQKLIEUOO-MRXNPFEDSA-N 2 1 270.420 3.041 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@@H]1C[NH3+] ZINC000420412743 380852051 /nfs/dbraw/zinc/85/20/51/380852051.db2.gz SPTHZGQJDQWAON-HACGYAERSA-N 2 1 276.399 3.120 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCCOC1 ZINC000356879436 380915634 /nfs/dbraw/zinc/91/56/34/380915634.db2.gz TVOTWHYWQSDQET-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000356886040 380921147 /nfs/dbraw/zinc/92/11/47/380921147.db2.gz XJMSEIDWTXCKIP-XDNAFOTISA-N 2 1 296.499 3.149 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)CC1 ZINC000421405392 380957378 /nfs/dbraw/zinc/95/73/78/380957378.db2.gz YTJTZDNIXOCQML-GOSISDBHSA-N 2 1 272.436 3.480 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)C12CCC2 ZINC000359987003 381401019 /nfs/dbraw/zinc/40/10/19/381401019.db2.gz MRTKQKQWMSCJBX-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OC)c1 ZINC000360028454 381418382 /nfs/dbraw/zinc/41/83/82/381418382.db2.gz FONGOLHIYQQUQE-JZXOWHBKSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000360573105 381581742 /nfs/dbraw/zinc/58/17/42/381581742.db2.gz ZSUQAUAIYJATIH-QGZVFWFLSA-N 2 1 290.476 3.081 20 0 CGADMP COC1(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000361493020 381773463 /nfs/dbraw/zinc/77/34/63/381773463.db2.gz OTQLVDHWMRMYOM-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccsc2Cl)CC1 ZINC000361602645 381831327 /nfs/dbraw/zinc/83/13/27/381831327.db2.gz KHIJFHXGRQAPQM-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccsc2Cl)CC1 ZINC000361602645 381831334 /nfs/dbraw/zinc/83/13/34/381831334.db2.gz KHIJFHXGRQAPQM-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361768444 381867797 /nfs/dbraw/zinc/86/77/97/381867797.db2.gz YWTMBXMMGWQCCC-INMHGKMJSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361768444 381867799 /nfs/dbraw/zinc/86/77/99/381867799.db2.gz YWTMBXMMGWQCCC-INMHGKMJSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252107720 542349102 /nfs/dbraw/zinc/34/91/02/542349102.db2.gz HHEDRHHRIHYLEY-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252107720 542349104 /nfs/dbraw/zinc/34/91/04/542349104.db2.gz HHEDRHHRIHYLEY-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000280891804 195018082 /nfs/dbraw/zinc/01/80/82/195018082.db2.gz QBENQSJRHMDUJH-JKIFEVAISA-N 2 1 292.492 3.269 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000280894949 195019328 /nfs/dbraw/zinc/01/93/28/195019328.db2.gz NZWVXJPJQGRQIA-KRWDZBQOSA-N 2 1 271.408 3.221 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423271354 533057527 /nfs/dbraw/zinc/05/75/27/533057527.db2.gz IZHPMWNPUHTGGE-YPMHNXCESA-N 2 1 252.427 3.042 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423382753 533061341 /nfs/dbraw/zinc/06/13/41/533061341.db2.gz OOJGTQWUSXCGNP-AVGNSLFASA-N 2 1 264.438 3.200 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000337524701 285148897 /nfs/dbraw/zinc/14/88/97/285148897.db2.gz RJPFCGVNZCGYQG-FGTMMUONSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c2ccccc2n1 ZINC000319356289 542439658 /nfs/dbraw/zinc/43/96/58/542439658.db2.gz UNCZRDCZUFGREQ-LPHOPBHVSA-N 2 1 295.430 3.104 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337989745 542483015 /nfs/dbraw/zinc/48/30/15/542483015.db2.gz NLEMBUCZULKYEM-RRFJBIMHSA-N 2 1 258.425 3.225 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281577424 195295063 /nfs/dbraw/zinc/29/50/63/195295063.db2.gz KUEZFMMXOMWRPJ-ZACQAIPSSA-N 2 1 291.414 3.134 20 0 CGADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]([NH3+])C3CC3)ccc2c1 ZINC000423339192 533335312 /nfs/dbraw/zinc/33/53/12/533335312.db2.gz ZIJPTTKDUHYAGJ-XIKOKIGWSA-N 2 1 284.403 3.236 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000420363021 533387831 /nfs/dbraw/zinc/38/78/31/533387831.db2.gz OSQHDQMCBFORMH-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1csc(-c2ccccc2F)n1 ZINC000423307381 533408636 /nfs/dbraw/zinc/40/86/36/533408636.db2.gz NBEOBRPVTLBWDO-WDEREUQCSA-N 2 1 293.411 3.195 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423317785 533409694 /nfs/dbraw/zinc/40/96/94/533409694.db2.gz KPQGVOMRCRJKHM-AMIZOPFISA-N 2 1 273.207 3.381 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CCOCC1 ZINC000366632594 533419430 /nfs/dbraw/zinc/41/94/30/533419430.db2.gz IJWSZCSXVHLFAB-QAPCUYQASA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414191313 533567893 /nfs/dbraw/zinc/56/78/93/533567893.db2.gz RUZXDDKCJZZFFD-FUHWJXTLSA-N 2 1 289.467 3.114 20 0 CGADMP COc1cc(C)ccc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000449164650 533668250 /nfs/dbraw/zinc/66/82/50/533668250.db2.gz QHFQCJWGWLANQX-UHFFFAOYSA-N 2 1 287.407 3.079 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424301178 533668708 /nfs/dbraw/zinc/66/87/08/533668708.db2.gz XJRQDACMZYHTFV-INIZCTEOSA-N 2 1 272.436 3.267 20 0 CGADMP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000191658439 130273261 /nfs/dbraw/zinc/27/32/61/130273261.db2.gz QUIOYBPVGNOUJO-MJBXVCDLSA-N 2 1 287.407 3.255 20 0 CGADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000191658454 130273526 /nfs/dbraw/zinc/27/35/26/130273526.db2.gz QUIOYBPVGNOUJO-IHRRRGAJSA-N 2 1 287.407 3.255 20 0 CGADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415093672 542641792 /nfs/dbraw/zinc/64/17/92/542641792.db2.gz COHRZFAPUWZKLC-OALUTQOASA-N 2 1 295.430 3.015 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000070091447 392177243 /nfs/dbraw/zinc/17/72/43/392177243.db2.gz NSYLCZULNOMBKB-LBPRGKRZSA-N 2 1 264.438 3.334 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086887270 392224941 /nfs/dbraw/zinc/22/49/41/392224941.db2.gz GEGLUIAPBQYCED-KGLIPLIRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC[C@H](C)C2)CC[NH+]1C ZINC000092799314 392232156 /nfs/dbraw/zinc/23/21/56/392232156.db2.gz XRUAFYADRIKAJC-ZJIFWQFVSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC[C@H](C)C2)CC[NH+]1C ZINC000092799314 392232159 /nfs/dbraw/zinc/23/21/59/392232159.db2.gz XRUAFYADRIKAJC-ZJIFWQFVSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC[C@H](C)C2)CC[N@@H+]1C ZINC000092799314 392232161 /nfs/dbraw/zinc/23/21/61/392232161.db2.gz XRUAFYADRIKAJC-ZJIFWQFVSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC[C@H](C)C2)CC[N@H+]1C ZINC000092799314 392232164 /nfs/dbraw/zinc/23/21/64/392232164.db2.gz XRUAFYADRIKAJC-ZJIFWQFVSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000361768701 392318128 /nfs/dbraw/zinc/31/81/28/392318128.db2.gz ROMDJDDAXKTBFD-OXGONZEZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC[N@H+]1C ZINC000361768701 392318135 /nfs/dbraw/zinc/31/81/35/392318135.db2.gz ROMDJDDAXKTBFD-OXGONZEZSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC000105443772 392289221 /nfs/dbraw/zinc/28/92/21/392289221.db2.gz YUYINNHYGKQCOV-ZDUSSCGKSA-N 2 1 271.408 3.234 20 0 CGADMP COc1ccc2ccccc2c1CNC[C@@H]1CCC[N@@H+]1C ZINC000107698338 392327944 /nfs/dbraw/zinc/32/79/44/392327944.db2.gz HBRLZQXCAGBDPS-HNNXBMFYSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2ccccc2c1CNC[C@@H]1CCC[N@H+]1C ZINC000107698338 392327946 /nfs/dbraw/zinc/32/79/46/392327946.db2.gz HBRLZQXCAGBDPS-HNNXBMFYSA-N 2 1 284.403 3.032 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000285931219 392350884 /nfs/dbraw/zinc/35/08/84/392350884.db2.gz FHCJUVKCFXQJSC-CVEARBPZSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000285931219 392350891 /nfs/dbraw/zinc/35/08/91/392350891.db2.gz FHCJUVKCFXQJSC-CVEARBPZSA-N 2 1 275.440 3.161 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000249373077 131121760 /nfs/dbraw/zinc/12/17/60/131121760.db2.gz FDWMMHKDZXPBSN-CHWSQXEVSA-N 2 1 298.377 3.280 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000249373077 131121762 /nfs/dbraw/zinc/12/17/62/131121762.db2.gz FDWMMHKDZXPBSN-CHWSQXEVSA-N 2 1 298.377 3.280 20 0 CGADMP CCC1([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000453287953 542680438 /nfs/dbraw/zinc/68/04/38/542680438.db2.gz LEFCAGHLUVMCFN-JKSUJKDBSA-N 2 1 258.409 3.354 20 0 CGADMP CCC1([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000453287953 542680444 /nfs/dbraw/zinc/68/04/44/542680444.db2.gz LEFCAGHLUVMCFN-JKSUJKDBSA-N 2 1 258.409 3.354 20 0 CGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453294409 542681337 /nfs/dbraw/zinc/68/13/37/542681337.db2.gz FNAGGLZERYNCKC-KZNAEPCWSA-N 2 1 290.451 3.227 20 0 CGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453294409 542681342 /nfs/dbraw/zinc/68/13/42/542681342.db2.gz FNAGGLZERYNCKC-KZNAEPCWSA-N 2 1 290.451 3.227 20 0 CGADMP c1ccc2c(c1)C=C(C[NH2+]C1CC[NH+](C3CCC3)CC1)CO2 ZINC000263841032 131344355 /nfs/dbraw/zinc/34/43/55/131344355.db2.gz YEAFZKQDNWLFNP-UHFFFAOYSA-N 2 1 298.430 3.069 20 0 CGADMP COCC[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CC=CCC1 ZINC000362252586 392413096 /nfs/dbraw/zinc/41/30/96/392413096.db2.gz QETVJOIAVMZFKL-SFHVURJKSA-N 2 1 294.483 3.167 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000291302680 392459775 /nfs/dbraw/zinc/45/97/75/392459775.db2.gz SNXZVLPZXMLCNU-RDTXWAMCSA-N 2 1 288.435 3.091 20 0 CGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOC2CCC2)C1 ZINC000367739915 392481546 /nfs/dbraw/zinc/48/15/46/392481546.db2.gz YGCHRBPMAXAYCK-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOC2CCC2)C1 ZINC000367739915 392481558 /nfs/dbraw/zinc/48/15/58/392481558.db2.gz YGCHRBPMAXAYCK-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000367739915 392481566 /nfs/dbraw/zinc/48/15/66/392481566.db2.gz YGCHRBPMAXAYCK-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000367739915 392481573 /nfs/dbraw/zinc/48/15/73/392481573.db2.gz YGCHRBPMAXAYCK-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccncc1)C1CC1 ZINC000162396812 392595534 /nfs/dbraw/zinc/59/55/34/392595534.db2.gz ZCFDLIDFKODACG-UHFFFAOYSA-N 2 1 284.407 3.031 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccncc1)C1CC1 ZINC000162396812 392595539 /nfs/dbraw/zinc/59/55/39/392595539.db2.gz ZCFDLIDFKODACG-UHFFFAOYSA-N 2 1 284.407 3.031 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000156218453 392546798 /nfs/dbraw/zinc/54/67/98/392546798.db2.gz PGNYZLXJGYUJMB-KBMXLJTQSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000156218453 392546805 /nfs/dbraw/zinc/54/68/05/392546805.db2.gz PGNYZLXJGYUJMB-KBMXLJTQSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178974440 392685753 /nfs/dbraw/zinc/68/57/53/392685753.db2.gz DBKGMIYSJUGMOM-XJKSGUPXSA-N 2 1 276.399 3.003 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000173786142 392629257 /nfs/dbraw/zinc/62/92/57/392629257.db2.gz NXEYZKHULFSHBM-DLBZAZTESA-N 2 1 272.436 3.474 20 0 CGADMP CC(C)C[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccncc1 ZINC000647281849 392633443 /nfs/dbraw/zinc/63/34/43/392633443.db2.gz MAIKGKCLWJZAOR-KRWDZBQOSA-N 2 1 277.456 3.489 20 0 CGADMP CC(C)C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccncc1 ZINC000647281849 392633450 /nfs/dbraw/zinc/63/34/50/392633450.db2.gz MAIKGKCLWJZAOR-KRWDZBQOSA-N 2 1 277.456 3.489 20 0 CGADMP CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344121 392692394 /nfs/dbraw/zinc/69/23/94/392692394.db2.gz JPDHKRUNBOUTLX-UAGQMJEPSA-N 2 1 260.425 3.110 20 0 CGADMP CCC(CC)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000181274317 392725735 /nfs/dbraw/zinc/72/57/35/392725735.db2.gz QXGZSCJKRJWOHK-MWQQHZPXSA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000181274317 392725741 /nfs/dbraw/zinc/72/57/41/392725741.db2.gz QXGZSCJKRJWOHK-MWQQHZPXSA-N 2 1 282.472 3.043 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3cc(OC)ccc3o2)CC[C@H]1[NH3+] ZINC000647497357 392740823 /nfs/dbraw/zinc/74/08/23/392740823.db2.gz DNWFLVXDVIBGTR-MLGOLLRUSA-N 2 1 288.391 3.001 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000375244473 392752694 /nfs/dbraw/zinc/75/26/94/392752694.db2.gz GPHQLMVHDXEJDN-QZTJIDSGSA-N 2 1 294.483 3.001 20 0 CGADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCCCCC1 ZINC000647533998 392753396 /nfs/dbraw/zinc/75/33/96/392753396.db2.gz DIGKRWDJFCMRCN-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCCCCC1 ZINC000647533998 392753402 /nfs/dbraw/zinc/75/34/02/392753402.db2.gz DIGKRWDJFCMRCN-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647544070 392760864 /nfs/dbraw/zinc/76/08/64/392760864.db2.gz VZPNYFMIKKRBLH-GJZGRUSLSA-N 2 1 278.465 3.268 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545688 392762395 /nfs/dbraw/zinc/76/23/95/392762395.db2.gz DEPPTUPYCFFLKM-SJORKVTESA-N 2 1 295.430 3.056 20 0 CGADMP Clc1cscc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545744 392762721 /nfs/dbraw/zinc/76/27/21/392762721.db2.gz LBYHAQVCMJPCLW-VXGBXAGGSA-N 2 1 284.856 3.223 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC[C@H]1[NH3+] ZINC000647934775 392836389 /nfs/dbraw/zinc/83/63/89/392836389.db2.gz PSXRONPZZHNHGR-HFBAOOFYSA-N 2 1 278.827 3.387 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC[C@H]1[NH3+] ZINC000647934776 392836500 /nfs/dbraw/zinc/83/65/00/392836500.db2.gz PSXRONPZZHNHGR-LYRGGWFBSA-N 2 1 278.827 3.387 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936895 392837947 /nfs/dbraw/zinc/83/79/47/392837947.db2.gz MXKUIWSIRWNHBH-XJKSGUPXSA-N 2 1 296.842 3.168 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000375474126 392784930 /nfs/dbraw/zinc/78/49/30/392784930.db2.gz PQRYOGOJJSXQIG-UHFFFAOYSA-N 2 1 288.435 3.146 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389340 392796617 /nfs/dbraw/zinc/79/66/17/392796617.db2.gz MLPNKVCVGVTUGV-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389340 392796618 /nfs/dbraw/zinc/79/66/18/392796618.db2.gz MLPNKVCVGVTUGV-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389340 392796621 /nfs/dbraw/zinc/79/66/21/392796621.db2.gz MLPNKVCVGVTUGV-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389340 392796624 /nfs/dbraw/zinc/79/66/24/392796624.db2.gz MLPNKVCVGVTUGV-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000335598002 392800450 /nfs/dbraw/zinc/80/04/50/392800450.db2.gz JVAALVDCQXSNCN-NSHDSACASA-N 2 1 270.829 3.204 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647800452 392801837 /nfs/dbraw/zinc/80/18/37/392801837.db2.gz BELYPUIPKZCDTP-WDEREUQCSA-N 2 1 252.789 3.045 20 0 CGADMP c1ccc2cc(C[N@H+](C[C@@H]3CC[NH2+]C3)C3CC3)ccc2c1 ZINC000647875123 392820507 /nfs/dbraw/zinc/82/05/07/392820507.db2.gz XHPWVMRNPSQPCB-MRXNPFEDSA-N 2 1 280.415 3.414 20 0 CGADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647880963 392823009 /nfs/dbraw/zinc/82/30/09/392823009.db2.gz JGNLRJXXNANOFJ-INIZCTEOSA-N 2 1 280.415 3.395 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903024 392828642 /nfs/dbraw/zinc/82/86/42/392828642.db2.gz DYEVWNVBQAUQKY-ZWKOTPCHSA-N 2 1 272.436 3.213 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647902930 392829082 /nfs/dbraw/zinc/82/90/82/392829082.db2.gz DPQCAEZVTDWYJT-SJLPKXTDSA-N 2 1 290.426 3.222 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000647934573 392835912 /nfs/dbraw/zinc/83/59/12/392835912.db2.gz JHYCIYDEICMTLU-DQYPLSBCSA-N 2 1 276.399 3.262 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000519864470 392898600 /nfs/dbraw/zinc/89/86/00/392898600.db2.gz WYTFYJPKZYBDDL-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000519864470 392898604 /nfs/dbraw/zinc/89/86/04/392898604.db2.gz WYTFYJPKZYBDDL-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000512325261 392850779 /nfs/dbraw/zinc/85/07/79/392850779.db2.gz VFXXQUBBALMKFW-QRTARXTBSA-N 2 1 264.457 3.418 20 0 CGADMP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647992133 392860033 /nfs/dbraw/zinc/86/00/33/392860033.db2.gz HLPRPNGONODPMS-APWZRJJASA-N 2 1 298.405 3.309 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000647997535 392860160 /nfs/dbraw/zinc/86/01/60/392860160.db2.gz LSIFAYGUECWCQW-HOCLYGCPSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337363313 392881062 /nfs/dbraw/zinc/88/10/62/392881062.db2.gz AHQCAZJZXZQVQP-CVEARBPZSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000340440629 392972413 /nfs/dbraw/zinc/97/24/13/392972413.db2.gz PVCBNEXYFHRPCC-FCGDIQPGSA-N 2 1 284.447 3.397 20 0 CGADMP CC[C@@H]1Cc2ccccc2C[N@H+]1CCCn1ccnc1C ZINC000342354100 393000382 /nfs/dbraw/zinc/00/03/82/393000382.db2.gz LKTJTGWMLHCPKU-GOSISDBHSA-N 2 1 283.419 3.419 20 0 CGADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCn1cc[nH+]c1C ZINC000342354100 393000387 /nfs/dbraw/zinc/00/03/87/393000387.db2.gz LKTJTGWMLHCPKU-GOSISDBHSA-N 2 1 283.419 3.419 20 0 CGADMP CC[C@@H]1Cc2ccccc2C[N@H+]1CCCn1cc[nH+]c1C ZINC000342354100 393000392 /nfs/dbraw/zinc/00/03/92/393000392.db2.gz LKTJTGWMLHCPKU-GOSISDBHSA-N 2 1 283.419 3.419 20 0 CGADMP C[C@H](CCN1CCCC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000221204698 393008103 /nfs/dbraw/zinc/00/81/03/393008103.db2.gz AYJVUERQBWXVRC-VYDXJSESSA-N 2 1 260.425 3.382 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000648424250 393010410 /nfs/dbraw/zinc/01/04/10/393010410.db2.gz NNNLCNMUVLCJFN-IPMKNSEASA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000648424250 393010416 /nfs/dbraw/zinc/01/04/16/393010416.db2.gz NNNLCNMUVLCJFN-IPMKNSEASA-N 2 1 284.447 3.150 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000231720443 393025152 /nfs/dbraw/zinc/02/51/52/393025152.db2.gz KNRDCRCRFMDVFS-UHFFFAOYSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000248199438 393083925 /nfs/dbraw/zinc/08/39/25/393083925.db2.gz YDGYQYSEHDJGFS-BZPMIXESSA-N 2 1 264.438 3.198 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3sccc32)CC[N@H+]1C ZINC000248199438 393083931 /nfs/dbraw/zinc/08/39/31/393083931.db2.gz YDGYQYSEHDJGFS-BZPMIXESSA-N 2 1 264.438 3.198 20 0 CGADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415033303 393104922 /nfs/dbraw/zinc/10/49/22/393104922.db2.gz BMAVFASGVAFHSN-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000414203389 393044118 /nfs/dbraw/zinc/04/41/18/393044118.db2.gz ZYDGBQZMNOELHA-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000414677947 393051035 /nfs/dbraw/zinc/05/10/35/393051035.db2.gz XGYVFQRLDSQQQF-RCCFBDPRSA-N 2 1 272.436 3.022 20 0 CGADMP CCCCOc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414954942 393063355 /nfs/dbraw/zinc/06/33/55/393063355.db2.gz SYXSJTVFXTUXSM-ZBFHGGJFSA-N 2 1 276.424 3.096 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414956974 393064873 /nfs/dbraw/zinc/06/48/73/393064873.db2.gz QMVPUPXJRRUZJD-ZMSDIMECSA-N 2 1 260.425 3.046 20 0 CGADMP CSC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000347847692 393110255 /nfs/dbraw/zinc/11/02/55/393110255.db2.gz PIHUKCCSTYSRDK-HZPDHXFCSA-N 2 1 296.524 3.468 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc2ccccc2c1 ZINC000415047641 393110872 /nfs/dbraw/zinc/11/08/72/393110872.db2.gz FGNZBEDCMCKCLK-INIZCTEOSA-N 2 1 256.393 3.303 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000415054034 393115620 /nfs/dbraw/zinc/11/56/20/393115620.db2.gz LESHIDLMELIEEZ-AWEZNQCLSA-N 2 1 262.422 3.364 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057502 393120006 /nfs/dbraw/zinc/12/00/06/393120006.db2.gz UPPWAJRJPIPEAY-RHSMWYFYSA-N 2 1 284.403 3.397 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H](C[NH3+])C3CCCC3)ccc2n1 ZINC000415063033 393122464 /nfs/dbraw/zinc/12/24/64/393122464.db2.gz GQGFFARZQZVQLN-SFHVURJKSA-N 2 1 283.419 3.150 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H](C)c1ccccc1 ZINC000415063692 393124835 /nfs/dbraw/zinc/12/48/35/393124835.db2.gz ITYQVVBQDKGPFF-KEYYUXOJSA-N 2 1 260.425 3.286 20 0 CGADMP c1csc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415083902 393136734 /nfs/dbraw/zinc/13/67/34/393136734.db2.gz GCCXVZIRNLTFNR-HOCLYGCPSA-N 2 1 272.417 3.331 20 0 CGADMP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415092360 393143041 /nfs/dbraw/zinc/14/30/41/393143041.db2.gz SUBNSLAJBYSNCH-QGZVFWFLSA-N 2 1 290.451 3.343 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000261993972 393143440 /nfs/dbraw/zinc/14/34/40/393143440.db2.gz SQJBDVOVYRNFMM-INIZCTEOSA-N 2 1 290.426 3.395 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC[NH2+]2)cc1 ZINC000415108990 393146877 /nfs/dbraw/zinc/14/68/77/393146877.db2.gz LKVOKHCFYGHHOX-AVEIZBFRSA-N 2 1 270.420 3.258 20 0 CGADMP Cc1ccccc1C1(C[NH2+]CC[NH2+]C(C)(C)C)CC1 ZINC000415118222 393149020 /nfs/dbraw/zinc/14/90/20/393149020.db2.gz WEANFAXPDLOHTA-UHFFFAOYSA-N 2 1 260.425 3.004 20 0 CGADMP c1ccc([C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CC23CCC3)cc1 ZINC000415130167 393153507 /nfs/dbraw/zinc/15/35/07/393153507.db2.gz WDEVNZCADLHOLN-WMZOPIPTSA-N 2 1 284.447 3.256 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000470300762 393239092 /nfs/dbraw/zinc/23/90/92/393239092.db2.gz XFBBTINLTBVXPU-RBUKOAKNSA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000470300762 393239099 /nfs/dbraw/zinc/23/90/99/393239099.db2.gz XFBBTINLTBVXPU-RBUKOAKNSA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000470300762 393239102 /nfs/dbraw/zinc/23/91/02/393239102.db2.gz XFBBTINLTBVXPU-RBUKOAKNSA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000470300762 393239109 /nfs/dbraw/zinc/23/91/09/393239109.db2.gz XFBBTINLTBVXPU-RBUKOAKNSA-N 2 1 286.463 3.379 20 0 CGADMP C[N@H+]1CCC[C@]2(CCN(Cc3cscc3Cl)C2)C1 ZINC000646243467 393247521 /nfs/dbraw/zinc/24/75/21/393247521.db2.gz WYOGUPVPIKVBFB-AWEZNQCLSA-N 2 1 284.856 3.319 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000268924989 393208951 /nfs/dbraw/zinc/20/89/51/393208951.db2.gz RELFGHYUABTTOF-XJKCOSOUSA-N 2 1 264.388 3.002 20 0 CGADMP CCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471835232 393315474 /nfs/dbraw/zinc/31/54/74/393315474.db2.gz UXCXKTIFHYOXRP-IRXDYDNUSA-N 2 1 260.425 3.069 20 0 CGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278922457 393329322 /nfs/dbraw/zinc/32/93/22/393329322.db2.gz IDDIMSYEEPLUSB-GUYCJALGSA-N 2 1 299.393 3.252 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000475347776 393394370 /nfs/dbraw/zinc/39/43/70/393394370.db2.gz JJUFWQZJZKTXNQ-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000647230279 393400384 /nfs/dbraw/zinc/40/03/84/393400384.db2.gz SSXCQMKPBNBIBT-XMTFNYHQSA-N 2 1 270.420 3.007 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000474822639 393351636 /nfs/dbraw/zinc/35/16/36/393351636.db2.gz PTBZCDRRFGWAHF-CABCVRRESA-N 2 1 278.415 3.351 20 0 CGADMP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000475736112 393415542 /nfs/dbraw/zinc/41/55/42/393415542.db2.gz GMINMDRFOBLULZ-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](COC)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000479900759 393434483 /nfs/dbraw/zinc/43/44/83/393434483.db2.gz KXVVWERHAKJBID-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000483721310 393444245 /nfs/dbraw/zinc/44/42/45/393444245.db2.gz GYZOAIARJTTXPV-DBHDPKECSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC1(C)C ZINC000487275383 393451367 /nfs/dbraw/zinc/45/13/67/393451367.db2.gz WBFKLQFTVWRCSJ-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP CC1CCC([N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)CC1 ZINC000420294219 393452038 /nfs/dbraw/zinc/45/20/38/393452038.db2.gz AZDQXGYFGQDVBZ-GPQLOAJWSA-N 2 1 294.483 3.046 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420399344 393482371 /nfs/dbraw/zinc/48/23/71/393482371.db2.gz NXXBKCCLAXJBML-QWHCGFSZSA-N 2 1 278.362 3.183 20 0 CGADMP Cc1ccc(C(C)(C)C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420296797 393453266 /nfs/dbraw/zinc/45/32/66/393453266.db2.gz DXLNOSRONXNNGK-INIZCTEOSA-N 2 1 274.452 3.204 20 0 CGADMP CCC[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296368 393453857 /nfs/dbraw/zinc/45/38/57/393453857.db2.gz DKJGAHKRCCREDS-NVXWUHKLSA-N 2 1 290.451 3.250 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000420297389 393454244 /nfs/dbraw/zinc/45/42/44/393454244.db2.gz DCBKRVZFPHWYSL-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H](C[N@@H+](C)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420296016 393454290 /nfs/dbraw/zinc/45/42/90/393454290.db2.gz CVTHAQSOUCPXEE-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP c1c2c(oc1-c1ccccc1)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420303842 393457647 /nfs/dbraw/zinc/45/76/47/393457647.db2.gz NQRZLSVJIJCOJL-OAHLLOKOSA-N 2 1 296.414 3.304 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420305820 393457656 /nfs/dbraw/zinc/45/76/56/393457656.db2.gz QARPGFVFLLWMRB-RTBURBONSA-N 2 1 286.463 3.392 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1C ZINC000420309414 393459248 /nfs/dbraw/zinc/45/92/48/393459248.db2.gz TVRAPWCXXLVWOJ-WMZOPIPTSA-N 2 1 272.436 3.440 20 0 CGADMP CSc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420392629 393482872 /nfs/dbraw/zinc/48/28/72/393482872.db2.gz IZVSOCGRSVOULW-ZBFHGGJFSA-N 2 1 290.476 3.373 20 0 CGADMP COCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000420318794 393463194 /nfs/dbraw/zinc/46/31/94/393463194.db2.gz OXCAFZJMRZDDAQ-SJORKVTESA-N 2 1 290.451 3.086 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420321060 393465237 /nfs/dbraw/zinc/46/52/37/393465237.db2.gz CFMSHRCVPVNAQN-USXIJHARSA-N 2 1 288.435 3.078 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420323458 393465313 /nfs/dbraw/zinc/46/53/13/393465313.db2.gz UIQNJVDETCIARR-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420319887 393465382 /nfs/dbraw/zinc/46/53/82/393465382.db2.gz AVSHYOOFICFEPL-MSOLQXFVSA-N 2 1 272.436 3.071 20 0 CGADMP CC1CCC([N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC000420320540 393466282 /nfs/dbraw/zinc/46/62/82/393466282.db2.gz QNRHKMNYCHYSQV-PCKAHOCUSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[N@H+](CCc1ccccc1)CC[C@H]1CC[NH2+]C1 ZINC000420328361 393468003 /nfs/dbraw/zinc/46/80/03/393468003.db2.gz ZFNYYJVTHWHTGH-GOSISDBHSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329673 393469783 /nfs/dbraw/zinc/46/97/83/393469783.db2.gz OROZAEWRFBWMAT-HZSPNIEDSA-N 2 1 294.389 3.347 20 0 CGADMP Cc1ccc(SCC[NH2+][C@H](C[NH3+])C(C)(C)C)cc1C ZINC000420360760 393475695 /nfs/dbraw/zinc/47/56/95/393475695.db2.gz LKBBIKJXPVVOEH-OAHLLOKOSA-N 2 1 280.481 3.359 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c1 ZINC000420379271 393478655 /nfs/dbraw/zinc/47/86/55/393478655.db2.gz UYHXVAWVBSVXDI-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CCSc3ccccc31)C2 ZINC000279054325 285538520 /nfs/dbraw/zinc/53/85/20/285538520.db2.gz YJGNZDZFHGANAC-HIFRSBDPSA-N 2 1 299.443 3.272 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H]1C[C@@H]1C ZINC000488422781 393507240 /nfs/dbraw/zinc/50/72/40/393507240.db2.gz YXSQHCRYYZNVCA-WMLDXEAASA-N 2 1 260.425 3.272 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430565496 393576597 /nfs/dbraw/zinc/57/65/97/393576597.db2.gz AMPXUJKYNBCNBV-HIFRSBDPSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@](C[NH3+])([NH2+]CCCOc1cccc2ccccc21)C1CC1 ZINC000430592144 393580507 /nfs/dbraw/zinc/58/05/07/393580507.db2.gz CEWJBYPEUYJZNY-LJQANCHMSA-N 2 1 298.430 3.326 20 0 CGADMP CC(C)[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000489250993 393581370 /nfs/dbraw/zinc/58/13/70/393581370.db2.gz CZOHTYIWCJOXEX-IAGOWNOFSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432418707 393611821 /nfs/dbraw/zinc/61/18/21/393611821.db2.gz UUGGZNBGFBUOTQ-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432418707 393611825 /nfs/dbraw/zinc/61/18/25/393611825.db2.gz UUGGZNBGFBUOTQ-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CCCCC1 ZINC000423272163 393658129 /nfs/dbraw/zinc/65/81/29/393658129.db2.gz YUYWTULQVADLOU-DLBZAZTESA-N 2 1 276.399 3.310 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423289602 393659282 /nfs/dbraw/zinc/65/92/82/393659282.db2.gz XVGYYJSERLBERX-ZDUSSCGKSA-N 2 1 252.789 3.044 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423302564 393660584 /nfs/dbraw/zinc/66/05/84/393660584.db2.gz VSKSCAORUNEGBK-CVEARBPZSA-N 2 1 261.413 3.030 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)s1 ZINC000361084689 393668851 /nfs/dbraw/zinc/66/88/51/393668851.db2.gz LVRONCLWDDOKQV-VHSXEESVSA-N 2 1 281.812 3.264 20 0 CGADMP CC[C@@H](c1ccccc1OC)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508393 393672002 /nfs/dbraw/zinc/67/20/02/393672002.db2.gz LBOGPWWLBPYYCQ-UKPHBRMFSA-N 2 1 276.424 3.063 20 0 CGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000361110807 393674693 /nfs/dbraw/zinc/67/46/93/393674693.db2.gz QYZMSZPFVGWFBG-MAUKXSAKSA-N 2 1 290.451 3.084 20 0 CGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000361110807 393674697 /nfs/dbraw/zinc/67/46/97/393674697.db2.gz QYZMSZPFVGWFBG-MAUKXSAKSA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)[NH+]1CCC(Nc2cc3c(c[nH+]2)CCCC3)CC1 ZINC000361176115 393693211 /nfs/dbraw/zinc/69/32/11/393693211.db2.gz CENLWIYUXWHOKW-UHFFFAOYSA-N 2 1 273.424 3.245 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C(C)(C)C)CCCC2)CC1 ZINC000361218527 393704595 /nfs/dbraw/zinc/70/45/95/393704595.db2.gz ZNSQZPJHQVDTBG-HNNXBMFYSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1CC1 ZINC000361221742 393704616 /nfs/dbraw/zinc/70/46/16/393704616.db2.gz VCEAQCXODUSKNH-KRWDZBQOSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC[NH2+]C ZINC000435872248 393715841 /nfs/dbraw/zinc/71/58/41/393715841.db2.gz XQEDSKKATMRWLK-IRXDYDNUSA-N 2 1 260.425 3.254 20 0 CGADMP CC(C)CSCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000443616200 393766960 /nfs/dbraw/zinc/76/69/60/393766960.db2.gz MFCUXNHKTSJVEO-QGZVFWFLSA-N 2 1 298.540 3.429 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000443616200 393766962 /nfs/dbraw/zinc/76/69/62/393766962.db2.gz MFCUXNHKTSJVEO-QGZVFWFLSA-N 2 1 298.540 3.429 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000494888523 393777064 /nfs/dbraw/zinc/77/70/64/393777064.db2.gz IIQRHPYNHWNFBA-LVQVYYBASA-N 2 1 252.446 3.133 20 0 CGADMP CN1CC[C@H]2CC[N@@H+](Cc3cccc4ccccc43)[C@H]2C1 ZINC000495150707 393778114 /nfs/dbraw/zinc/77/81/14/393778114.db2.gz XOIVFGLFMZPEFD-LPHOPBHVSA-N 2 1 280.415 3.366 20 0 CGADMP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc4ccccc43)[C@H]2C1 ZINC000495150707 393778115 /nfs/dbraw/zinc/77/81/15/393778115.db2.gz XOIVFGLFMZPEFD-LPHOPBHVSA-N 2 1 280.415 3.366 20 0 CGADMP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc4ccccc43)[C@H]2C1 ZINC000495150707 393778116 /nfs/dbraw/zinc/77/81/16/393778116.db2.gz XOIVFGLFMZPEFD-LPHOPBHVSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc4ccccc43)[C@H]2C1 ZINC000495150707 393778118 /nfs/dbraw/zinc/77/81/18/393778118.db2.gz XOIVFGLFMZPEFD-LPHOPBHVSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc4ccccc43)[C@H]2C1 ZINC000495150707 393778119 /nfs/dbraw/zinc/77/81/19/393778119.db2.gz XOIVFGLFMZPEFD-LPHOPBHVSA-N 2 1 280.415 3.366 20 0 CGADMP CCc1ccccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000445814893 393827586 /nfs/dbraw/zinc/82/75/86/393827586.db2.gz DKRUUWVFUHLFMB-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000445814893 393827591 /nfs/dbraw/zinc/82/75/91/393827591.db2.gz DKRUUWVFUHLFMB-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000502717099 393882769 /nfs/dbraw/zinc/88/27/69/393882769.db2.gz WAZOWBHFRADEOZ-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccccc1C1CC1)C1CCCC1 ZINC000666970672 542830401 /nfs/dbraw/zinc/83/04/01/542830401.db2.gz WRGHNFLPOLITDV-KRWDZBQOSA-N 2 1 258.409 3.171 20 0 CGADMP CSc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000449559717 393902529 /nfs/dbraw/zinc/90/25/29/393902529.db2.gz COOSMBBLZXJAOI-YOGCLGLASA-N 2 1 282.478 3.185 20 0 CGADMP CSc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000449559717 393902531 /nfs/dbraw/zinc/90/25/31/393902531.db2.gz COOSMBBLZXJAOI-YOGCLGLASA-N 2 1 282.478 3.185 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993990 542832568 /nfs/dbraw/zinc/83/25/68/542832568.db2.gz ZYKQMKMAVIXQNY-AWEZNQCLSA-N 2 1 276.399 3.152 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)CC[C@H]21 ZINC000450501721 394007187 /nfs/dbraw/zinc/00/71/87/394007187.db2.gz OIDJMQINLWBBBN-QLFBSQMISA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)CC[C@H]21 ZINC000450501721 394007189 /nfs/dbraw/zinc/00/71/89/394007189.db2.gz OIDJMQINLWBBBN-QLFBSQMISA-N 2 1 286.410 3.228 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000453056405 394155357 /nfs/dbraw/zinc/15/53/57/394155357.db2.gz BXSNKCKEILHBQZ-BPQIPLTHSA-N 2 1 287.451 3.009 20 0 CGADMP COc1cccc(Cl)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453603353 394255985 /nfs/dbraw/zinc/25/59/85/394255985.db2.gz XTOAFVLEKGAJTL-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CC(C)c1cnc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453605022 394256457 /nfs/dbraw/zinc/25/64/57/394256457.db2.gz ZNBVMMJBSKLKEF-UHFFFAOYSA-N 2 1 281.469 3.231 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000453253411 394222072 /nfs/dbraw/zinc/22/20/72/394222072.db2.gz POWUUMOFICUKFM-RRIFGTCXSA-N 2 1 286.463 3.425 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1CCCF)C1CC1 ZINC000453403804 394235400 /nfs/dbraw/zinc/23/54/00/394235400.db2.gz OZBGJZREHYPEJT-GOEBONIOSA-N 2 1 270.436 3.369 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CC2 ZINC000453406442 394236082 /nfs/dbraw/zinc/23/60/82/394236082.db2.gz QYENSYZSDBNUHD-SFHVURJKSA-N 2 1 272.436 3.446 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1CC1 ZINC000453408138 394236456 /nfs/dbraw/zinc/23/64/56/394236456.db2.gz SHBQKDPXMRPMPI-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453602524 394255425 /nfs/dbraw/zinc/25/54/25/394255425.db2.gz WIRMVIYPMPKJDS-OAHLLOKOSA-N 2 1 290.451 3.177 20 0 CGADMP CCCCO[C@@H]1C[C@@H](N(C)Cc2cnc(C)n2C)C1(C)C ZINC000667691981 542917875 /nfs/dbraw/zinc/91/78/75/542917875.db2.gz UVFRMIJPGJXHDY-HZPDHXFCSA-N 2 1 293.455 3.144 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](C)C1 ZINC000667695113 542919187 /nfs/dbraw/zinc/91/91/87/542919187.db2.gz KDQISFNFGISVCY-CABCVRRESA-N 2 1 284.407 3.135 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](C)C1 ZINC000667695113 542919188 /nfs/dbraw/zinc/91/91/88/542919188.db2.gz KDQISFNFGISVCY-CABCVRRESA-N 2 1 284.407 3.135 20 0 CGADMP Cc1ccc2cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000667705527 542920086 /nfs/dbraw/zinc/92/00/86/542920086.db2.gz FUYQUSKACWIHSJ-VQIMIIECSA-N 2 1 297.446 3.392 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668244053 542998417 /nfs/dbraw/zinc/99/84/17/542998417.db2.gz PAWSPINYLCDBNR-MRXNPFEDSA-N 2 1 296.418 3.279 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H](C3CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668244053 542998421 /nfs/dbraw/zinc/99/84/21/542998421.db2.gz PAWSPINYLCDBNR-MRXNPFEDSA-N 2 1 296.418 3.279 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000668459441 543015091 /nfs/dbraw/zinc/01/50/91/543015091.db2.gz UTKLDFPYYYRXCB-INIZCTEOSA-N 2 1 290.451 3.308 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000668459441 543015093 /nfs/dbraw/zinc/01/50/93/543015093.db2.gz UTKLDFPYYYRXCB-INIZCTEOSA-N 2 1 290.451 3.308 20 0 CGADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819928 543066536 /nfs/dbraw/zinc/06/65/36/543066536.db2.gz QQQDBOUXOKSZHI-RDJZCZTQSA-N 2 1 266.473 3.380 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670264867 543147310 /nfs/dbraw/zinc/14/73/10/543147310.db2.gz KTWKGJQKIPNZKJ-HUUCEWRRSA-N 2 1 254.462 3.332 20 0 CGADMP C[C@@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)(C)C ZINC000670268623 543149365 /nfs/dbraw/zinc/14/93/65/543149365.db2.gz VAVYQMXFRXIGOO-INIZCTEOSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671296628 543166556 /nfs/dbraw/zinc/16/65/56/543166556.db2.gz YKTBTFPLIJOXMM-RDJZCZTQSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000187887996 397662026 /nfs/dbraw/zinc/66/20/26/397662026.db2.gz HYODACZDWDSYAE-ZIAGYGMSSA-N 2 1 280.843 3.375 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1C1CC1 ZINC000674334579 543281398 /nfs/dbraw/zinc/28/13/98/543281398.db2.gz YAGJYQPWBZMUSW-UHFFFAOYSA-N 2 1 269.392 3.249 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1Cl ZINC000650709103 397898277 /nfs/dbraw/zinc/89/82/77/397898277.db2.gz AYBZRUPHPNEMBM-HOCLYGCPSA-N 2 1 278.827 3.209 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)[C@H]1CC[NH3+] ZINC000650710944 397899065 /nfs/dbraw/zinc/89/90/65/397899065.db2.gz DGALQOMNFRKOGN-WFASDCNBSA-N 2 1 298.377 3.237 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000675881802 543369908 /nfs/dbraw/zinc/36/99/08/543369908.db2.gz NNNOZQWEUBNNAR-NXHRZFHOSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000677235890 543440749 /nfs/dbraw/zinc/44/07/49/543440749.db2.gz JFHDXFFQUROAJO-RBUKOAKNSA-N 2 1 286.463 3.452 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677238192 543440897 /nfs/dbraw/zinc/44/08/97/543440897.db2.gz WUTDCWGAIDOMCI-NJAFHUGGSA-N 2 1 272.436 3.397 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000677129517 543434289 /nfs/dbraw/zinc/43/42/89/543434289.db2.gz MDTDKDQLTJXDNU-SJCJKPOMSA-N 2 1 294.389 3.274 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000677129517 543434291 /nfs/dbraw/zinc/43/42/91/543434291.db2.gz MDTDKDQLTJXDNU-SJCJKPOMSA-N 2 1 294.389 3.274 20 0 CGADMP C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678271097 543506744 /nfs/dbraw/zinc/50/67/44/543506744.db2.gz NIVDKZONNVRNNV-HOTGVXAUSA-N 2 1 290.451 3.247 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678898798 543570375 /nfs/dbraw/zinc/57/03/75/543570375.db2.gz SUWQMLNOEBMGPJ-BHIYHBOVSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420318323 292213461 /nfs/dbraw/zinc/21/34/61/292213461.db2.gz OMELWOCVKNZPGD-WBVHZDCISA-N 2 1 258.409 3.132 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000556203338 289377067 /nfs/dbraw/zinc/37/70/67/289377067.db2.gz KNOZRBCLYLXCFF-KLHDSHLOSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CC2(CCC2)C1 ZINC000459495172 286835808 /nfs/dbraw/zinc/83/58/08/286835808.db2.gz DJHMPNJIFBLWAH-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000270930055 287022481 /nfs/dbraw/zinc/02/24/81/287022481.db2.gz PUHOHMALWHEWTP-JKSUJKDBSA-N 2 1 275.440 3.387 20 0 CGADMP Cn1cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016871 165320642 /nfs/dbraw/zinc/32/06/42/165320642.db2.gz FMNUWSJDCLOJSP-KRWDZBQOSA-N 2 1 289.467 3.113 20 0 CGADMP Cn1cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016871 165320649 /nfs/dbraw/zinc/32/06/49/165320649.db2.gz FMNUWSJDCLOJSP-KRWDZBQOSA-N 2 1 289.467 3.113 20 0 CGADMP Cn1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016648 165321850 /nfs/dbraw/zinc/32/18/50/165321850.db2.gz GHYBGPMIINWURA-QGZVFWFLSA-N 2 1 289.467 3.113 20 0 CGADMP Cn1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016648 165321851 /nfs/dbraw/zinc/32/18/51/165321851.db2.gz GHYBGPMIINWURA-QGZVFWFLSA-N 2 1 289.467 3.113 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC(C)(C)C[NH3+] ZINC000093873004 165338900 /nfs/dbraw/zinc/33/89/00/165338900.db2.gz FTYHZQNDBPDRKK-UHFFFAOYSA-N 2 1 274.330 3.122 20 0 CGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC000094010724 165343034 /nfs/dbraw/zinc/34/30/34/165343034.db2.gz PRCVOOBKKNVGAD-UHFFFAOYSA-N 2 1 286.341 3.137 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522148 165352292 /nfs/dbraw/zinc/35/22/92/165352292.db2.gz UDTJTZCRBBYJMJ-KRWDZBQOSA-N 2 1 258.409 3.267 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639027 287118002 /nfs/dbraw/zinc/11/80/02/287118002.db2.gz AAJKEEOBGAXFPV-CRAIPNDOSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639027 287118004 /nfs/dbraw/zinc/11/80/04/287118004.db2.gz AAJKEEOBGAXFPV-CRAIPNDOSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639027 287118005 /nfs/dbraw/zinc/11/80/05/287118005.db2.gz AAJKEEOBGAXFPV-CRAIPNDOSA-N 2 1 274.452 3.466 20 0 CGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000112697557 287144113 /nfs/dbraw/zinc/14/41/13/287144113.db2.gz DXSCFKMJSQQCII-IYBDPMFKSA-N 2 1 296.499 3.244 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119664143 287172135 /nfs/dbraw/zinc/17/21/35/287172135.db2.gz HFUPQONZZZEXFM-AWEZNQCLSA-N 2 1 250.430 3.338 20 0 CGADMP CC(C)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124014931 287228665 /nfs/dbraw/zinc/22/86/65/287228665.db2.gz MMLAODIAKMWQFX-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124014931 287228666 /nfs/dbraw/zinc/22/86/66/287228666.db2.gz MMLAODIAKMWQFX-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](COC)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125182262 287240712 /nfs/dbraw/zinc/24/07/12/287240712.db2.gz PVKZSMSWACSYHU-NVXWUHKLSA-N 2 1 290.451 3.227 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000037267142 173077628 /nfs/dbraw/zinc/07/76/28/173077628.db2.gz AZNQHSVBVRNLLQ-OAHLLOKOSA-N 2 1 266.816 3.475 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC(c3ccccc3C)C2)CC1 ZINC000038098092 174112745 /nfs/dbraw/zinc/11/27/45/174112745.db2.gz SGKDNRKRFVEQSA-UHFFFAOYSA-N 2 1 272.436 3.315 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000038098016 174112878 /nfs/dbraw/zinc/11/28/78/174112878.db2.gz QIWXDRYGPRHTAJ-AWEZNQCLSA-N 2 1 272.436 3.310 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043389941 175033481 /nfs/dbraw/zinc/03/34/81/175033481.db2.gz VGDBBDAADHHNBG-UHFFFAOYSA-N 2 1 270.779 3.053 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccccc1Cl)C[NH+]1CCCC1 ZINC000057993864 175604486 /nfs/dbraw/zinc/60/44/86/175604486.db2.gz KKZLUHORSOXZFA-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000129030344 287323005 /nfs/dbraw/zinc/32/30/05/287323005.db2.gz XYQDMUVCWYDRLA-VHDGCEQUSA-N 2 1 276.449 3.153 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000129030344 287323010 /nfs/dbraw/zinc/32/30/10/287323010.db2.gz XYQDMUVCWYDRLA-VHDGCEQUSA-N 2 1 276.449 3.153 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358788 416491648 /nfs/dbraw/zinc/49/16/48/416491648.db2.gz KMNGYWNMUSCQMK-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000314345962 416537791 /nfs/dbraw/zinc/53/77/91/416537791.db2.gz LZCMXKFXRMTYHW-WMZOPIPTSA-N 2 1 288.435 3.036 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC2CCC1CC2 ZINC000400174455 416545260 /nfs/dbraw/zinc/54/52/60/416545260.db2.gz OYRWNITZXFXWHD-GADNRMJZSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)s1 ZINC000404429442 416553402 /nfs/dbraw/zinc/55/34/02/416553402.db2.gz NRAXPJILXOLECQ-NHYWBVRUSA-N 2 1 266.454 3.314 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)s1 ZINC000404429441 416554357 /nfs/dbraw/zinc/55/43/57/416554357.db2.gz NRAXPJILXOLECQ-IAQYHMDHSA-N 2 1 266.454 3.314 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC000404753508 416556489 /nfs/dbraw/zinc/55/64/89/416556489.db2.gz YQCDMTDYCALBIF-ARFHVFGLSA-N 2 1 272.436 3.036 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679540287 543644161 /nfs/dbraw/zinc/64/41/61/543644161.db2.gz JSYMCKFNXUKCIY-AAEUAGOBSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679540287 543644162 /nfs/dbraw/zinc/64/41/62/543644162.db2.gz JSYMCKFNXUKCIY-AAEUAGOBSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000130886096 287365877 /nfs/dbraw/zinc/36/58/77/287365877.db2.gz ATNNMPBCAVPNJL-DOTOQJQBSA-N 2 1 293.455 3.109 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000130886096 287365878 /nfs/dbraw/zinc/36/58/78/287365878.db2.gz ATNNMPBCAVPNJL-DOTOQJQBSA-N 2 1 293.455 3.109 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2cccc(F)c2)CC[N@H+]1C ZINC000131480109 287381416 /nfs/dbraw/zinc/38/14/16/287381416.db2.gz NZALAVYGNAUTIT-BBRMVZONSA-N 2 1 278.415 3.176 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684024483 543961998 /nfs/dbraw/zinc/96/19/98/543961998.db2.gz VSGJBVHVHDQSTF-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684024483 543961999 /nfs/dbraw/zinc/96/19/99/543961999.db2.gz VSGJBVHVHDQSTF-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000685455669 544073817 /nfs/dbraw/zinc/07/38/17/544073817.db2.gz GFOAADMKRRGNFD-HUUCEWRRSA-N 2 1 280.481 3.389 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C\c2ccccc2)C1 ZINC000685470892 544078970 /nfs/dbraw/zinc/07/89/70/544078970.db2.gz ZXVORFREIFDGQP-PFCGEZNBSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C\c2ccccc2)C1 ZINC000685470892 544078972 /nfs/dbraw/zinc/07/89/72/544078972.db2.gz ZXVORFREIFDGQP-PFCGEZNBSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C\c2ccccc2)C1 ZINC000685470892 544078974 /nfs/dbraw/zinc/07/89/74/544078974.db2.gz ZXVORFREIFDGQP-PFCGEZNBSA-N 2 1 270.420 3.116 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423373733 287428334 /nfs/dbraw/zinc/42/83/34/287428334.db2.gz SDSHXEFXUWASQB-DTJGQCLQSA-N 2 1 294.389 3.189 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000650741523 418936129 /nfs/dbraw/zinc/93/61/29/418936129.db2.gz FVJJZDXHAOXELC-RVSPLBMKSA-N 2 1 267.376 3.009 20 0 CGADMP CC[N@H+](CCC[NH2+][C@H](C)c1ccnn1C)C1CCCCC1 ZINC000652237911 418940598 /nfs/dbraw/zinc/94/05/98/418940598.db2.gz KRKWTIAABXTKNU-OAHLLOKOSA-N 2 1 292.471 3.115 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccnn1C)C1CCCCC1 ZINC000652237911 418940600 /nfs/dbraw/zinc/94/06/00/418940600.db2.gz KRKWTIAABXTKNU-OAHLLOKOSA-N 2 1 292.471 3.115 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349575 418956167 /nfs/dbraw/zinc/95/61/67/418956167.db2.gz SZFYMODUOIJMQU-ARFHVFGLSA-N 2 1 282.472 3.031 20 0 CGADMP Fc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000652341232 418956292 /nfs/dbraw/zinc/95/62/92/418956292.db2.gz VPNFXZIULDQRBX-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000653279886 419023416 /nfs/dbraw/zinc/02/34/16/419023416.db2.gz HSRGILVPJCYHNH-BXUZGUMPSA-N 2 1 286.341 3.325 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CO1 ZINC000659876608 419026597 /nfs/dbraw/zinc/02/65/97/419026597.db2.gz CLEJPZBTYVOMML-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)=CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000659876569 419026620 /nfs/dbraw/zinc/02/66/20/419026620.db2.gz KNLNIPGSDQSKGW-UHFFFAOYSA-N 2 1 252.446 3.395 20 0 CGADMP c1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000355308521 227614619 /nfs/dbraw/zinc/61/46/19/227614619.db2.gz FFJGGBOIWRPVEO-QZTJIDSGSA-N 2 1 298.455 3.312 20 0 CGADMP c1ccc2c(NC[C@H]3CCC[N@@H+](CC4CC4)C3)cc[nH+]c2c1 ZINC000664678314 418992588 /nfs/dbraw/zinc/99/25/88/418992588.db2.gz HBWJCERCEIXQRZ-MRXNPFEDSA-N 2 1 295.430 3.191 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000655732909 419082296 /nfs/dbraw/zinc/08/22/96/419082296.db2.gz GKXATNPJASEWBH-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000653791514 419086226 /nfs/dbraw/zinc/08/62/26/419086226.db2.gz ZHPRGEVIFCKOCV-CZUORRHYSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1F ZINC000653791514 419086230 /nfs/dbraw/zinc/08/62/30/419086230.db2.gz ZHPRGEVIFCKOCV-CZUORRHYSA-N 2 1 264.388 3.351 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccn1 ZINC000665247536 419091269 /nfs/dbraw/zinc/09/12/69/419091269.db2.gz DTJMOPIBAGXXJY-OAHLLOKOSA-N 2 1 261.413 3.030 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)s1 ZINC000665250267 419092828 /nfs/dbraw/zinc/09/28/28/419092828.db2.gz MLQYSLQLVJGQPW-VIFPVBQESA-N 2 1 258.818 3.324 20 0 CGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278668 419102212 /nfs/dbraw/zinc/10/22/12/419102212.db2.gz LOXOKMXKRVYUFU-WIHSUSGWSA-N 2 1 290.476 3.145 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](CC)CC(F)F)CC1 ZINC000659983407 419052875 /nfs/dbraw/zinc/05/28/75/419052875.db2.gz LMEQDCNYDIXWLF-CYBMUJFWSA-N 2 1 276.415 3.474 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C2CC2)[C@H](C)C1 ZINC000653581991 419053549 /nfs/dbraw/zinc/05/35/49/419053549.db2.gz QZOORCVELXXBNY-ZBFHGGJFSA-N 2 1 266.473 3.475 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CCC2)C[C@@H]1C ZINC000659982983 419053627 /nfs/dbraw/zinc/05/36/27/419053627.db2.gz AXRRHRMUJMAUEQ-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2CCC2)C[C@@H]1C ZINC000659982983 419053632 /nfs/dbraw/zinc/05/36/32/419053632.db2.gz AXRRHRMUJMAUEQ-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2CCC2)C[C@@H]1C ZINC000659982983 419053634 /nfs/dbraw/zinc/05/36/34/419053634.db2.gz AXRRHRMUJMAUEQ-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659989736 419056072 /nfs/dbraw/zinc/05/60/72/419056072.db2.gz SDAFMHQWVMZTJC-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659989736 419056078 /nfs/dbraw/zinc/05/60/78/419056078.db2.gz SDAFMHQWVMZTJC-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(SC)c2)C1 ZINC000659989433 419056160 /nfs/dbraw/zinc/05/61/60/419056160.db2.gz KYFUYINRYDVGFY-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(SC)c2)C1 ZINC000659989433 419056163 /nfs/dbraw/zinc/05/61/63/419056163.db2.gz KYFUYINRYDVGFY-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(SC)c2)C1 ZINC000659989433 419056166 /nfs/dbraw/zinc/05/61/66/419056166.db2.gz KYFUYINRYDVGFY-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(SC)c2)C1 ZINC000659989433 419056171 /nfs/dbraw/zinc/05/61/71/419056171.db2.gz KYFUYINRYDVGFY-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1CCC(C)(C)C1CC1 ZINC000653674428 419068779 /nfs/dbraw/zinc/06/87/79/419068779.db2.gz DBDYBRXNNPVZSF-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP Clc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000656478127 419176947 /nfs/dbraw/zinc/17/69/47/419176947.db2.gz FAQQHCKTCAOHFV-CVEARBPZSA-N 2 1 278.827 3.099 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCCc3ccccc31)C2 ZINC000660658622 419178233 /nfs/dbraw/zinc/17/82/33/419178233.db2.gz IBFNTDWZIUKCHY-OALUTQOASA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000660658622 419178234 /nfs/dbraw/zinc/17/82/34/419178234.db2.gz IBFNTDWZIUKCHY-OALUTQOASA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCCc3ccccc31)C2 ZINC000660658622 419178238 /nfs/dbraw/zinc/17/82/38/419178238.db2.gz IBFNTDWZIUKCHY-OALUTQOASA-N 2 1 284.447 3.482 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660661165 419179851 /nfs/dbraw/zinc/17/98/51/419179851.db2.gz YZQSRZLADRBQIJ-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660661165 419179852 /nfs/dbraw/zinc/17/98/52/419179852.db2.gz YZQSRZLADRBQIJ-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660661165 419179855 /nfs/dbraw/zinc/17/98/55/419179855.db2.gz YZQSRZLADRBQIJ-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666088903 419189034 /nfs/dbraw/zinc/18/90/34/419189034.db2.gz RYTUEOOFRUNXTQ-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000655942403 419128915 /nfs/dbraw/zinc/12/89/15/419128915.db2.gz QRHALVDXSSTJFT-GVDBMIGSSA-N 2 1 294.483 3.174 20 0 CGADMP Cc1ccc2cc(C[NH2+]C3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000657294546 419244663 /nfs/dbraw/zinc/24/46/63/419244663.db2.gz RZLCPIIDRINVSN-UHFFFAOYSA-N 2 1 285.435 3.439 20 0 CGADMP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(C)c1 ZINC000657317952 419249028 /nfs/dbraw/zinc/24/90/28/419249028.db2.gz GIPFQKIBSZCUIO-UHFFFAOYSA-N 2 1 287.407 3.079 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657346480 419256464 /nfs/dbraw/zinc/25/64/64/419256464.db2.gz CXEPAJMFHYUPOQ-ZDUSSCGKSA-N 2 1 296.418 3.407 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000657356798 419258595 /nfs/dbraw/zinc/25/85/95/419258595.db2.gz RTDIJDMBWNELRP-KZNAEPCWSA-N 2 1 296.499 3.172 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)oc21 ZINC000657355491 419258735 /nfs/dbraw/zinc/25/87/35/419258735.db2.gz QDUOTDACWRCQIW-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)oc21 ZINC000657355491 419258737 /nfs/dbraw/zinc/25/87/37/419258737.db2.gz QDUOTDACWRCQIW-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000656691283 419202709 /nfs/dbraw/zinc/20/27/09/419202709.db2.gz PRJHFYJDHUDDPB-QZTJIDSGSA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000656691283 419202711 /nfs/dbraw/zinc/20/27/11/419202711.db2.gz PRJHFYJDHUDDPB-QZTJIDSGSA-N 2 1 292.467 3.065 20 0 CGADMP Clc1cnc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781979 419218444 /nfs/dbraw/zinc/21/84/44/419218444.db2.gz BMQIIIDNSAHOKX-LBPRGKRZSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781979 419218449 /nfs/dbraw/zinc/21/84/49/419218449.db2.gz BMQIIIDNSAHOKX-LBPRGKRZSA-N 2 1 299.871 3.008 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783339 419218517 /nfs/dbraw/zinc/21/85/17/419218517.db2.gz PMOPUIZTFQNTAP-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP Fc1ccccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785530 419219686 /nfs/dbraw/zinc/21/96/86/419219686.db2.gz LLYHYHBIAHDHDO-HNNXBMFYSA-N 2 1 276.399 3.037 20 0 CGADMP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000657491398 419293094 /nfs/dbraw/zinc/29/30/94/419293094.db2.gz FFGXRYWCDLASLC-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000657626333 419316417 /nfs/dbraw/zinc/31/64/17/419316417.db2.gz JMGOTMBFUWFCOZ-ROUUACIJSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@H]2C[C@@H]2C1)CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661968534 419316875 /nfs/dbraw/zinc/31/68/75/419316875.db2.gz YKQKVXIHYGVHSZ-IJTOGUNISA-N 2 1 276.468 3.086 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2C[C@H]2C1)CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968534 419316878 /nfs/dbraw/zinc/31/68/78/419316878.db2.gz YKQKVXIHYGVHSZ-IJTOGUNISA-N 2 1 276.468 3.086 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2C[C@H]2C1)CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968534 419316879 /nfs/dbraw/zinc/31/68/79/419316879.db2.gz YKQKVXIHYGVHSZ-IJTOGUNISA-N 2 1 276.468 3.086 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[C@H]1C ZINC000657677192 419327068 /nfs/dbraw/zinc/32/70/68/419327068.db2.gz AHPPFGBEGVZULS-CTASWTNQSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1C[C@H]1C ZINC000657677192 419327070 /nfs/dbraw/zinc/32/70/70/419327070.db2.gz AHPPFGBEGVZULS-CTASWTNQSA-N 2 1 250.430 3.028 20 0 CGADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657716775 419332919 /nfs/dbraw/zinc/33/29/19/419332919.db2.gz STAJCDXOYOQIEU-WNRNVDISSA-N 2 1 270.420 3.149 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662244472 419373383 /nfs/dbraw/zinc/37/33/83/419373383.db2.gz HEBCUIPYKTTWSW-BHYGNILZSA-N 2 1 272.436 3.166 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@@H]1CCc2ccccc21 ZINC000662272502 419379634 /nfs/dbraw/zinc/37/96/34/419379634.db2.gz FVQMIGHYVPOTAZ-DLBZAZTESA-N 2 1 272.436 3.310 20 0 CGADMP CCOC1CCC([NH2+]C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC000657833108 419379713 /nfs/dbraw/zinc/37/97/13/419379713.db2.gz MUQWBXVWYTUINB-JCYILVPMSA-N 2 1 284.488 3.290 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cnccc2o1 ZINC000657840254 419383395 /nfs/dbraw/zinc/38/33/95/419383395.db2.gz OORGOAVQBZUXOK-CFVMTHIKSA-N 2 1 285.391 3.105 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2cnccc2o1 ZINC000657840254 419383399 /nfs/dbraw/zinc/38/33/99/419383399.db2.gz OORGOAVQBZUXOK-CFVMTHIKSA-N 2 1 285.391 3.105 20 0 CGADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292176 419384429 /nfs/dbraw/zinc/38/44/29/419384429.db2.gz BWNFMRIZONICGM-LAVFITLUSA-N 2 1 276.468 3.134 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1Cl ZINC000662286605 419385393 /nfs/dbraw/zinc/38/53/93/419385393.db2.gz RQEKXEUWXUATHC-OCCSQVGLSA-N 2 1 296.842 3.298 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1Cl ZINC000662286605 419385397 /nfs/dbraw/zinc/38/53/97/419385397.db2.gz RQEKXEUWXUATHC-OCCSQVGLSA-N 2 1 296.842 3.298 20 0 CGADMP CCOC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000657845584 419386376 /nfs/dbraw/zinc/38/63/76/419386376.db2.gz SDDMDKGOEASULK-BFWZDYSYSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657844853 419386593 /nfs/dbraw/zinc/38/65/93/419386593.db2.gz KOTNRELJIJFPJS-FZKCQIBNSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H]1C[C@@H](C)N(c2cc[nH+]c3ccsc32)C[C@@H]1C[NH3+] ZINC000663240230 419527885 /nfs/dbraw/zinc/52/78/85/419527885.db2.gz AEXKKDPLYRPDDX-UTUOFQBUSA-N 2 1 275.421 3.106 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(C(C)C)c1 ZINC000663314212 419548994 /nfs/dbraw/zinc/54/89/94/419548994.db2.gz JZARRSYSLKRCIR-UHFFFAOYSA-N 2 1 257.381 3.105 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000663356269 419577155 /nfs/dbraw/zinc/57/71/55/419577155.db2.gz HSLDEMONDOHYFQ-NEPJUHHUSA-N 2 1 278.362 3.181 20 0 CGADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466035 419614725 /nfs/dbraw/zinc/61/47/25/419614725.db2.gz NFNQJOKUIWKTCS-YJBOKZPZSA-N 2 1 276.468 3.277 20 0 CGADMP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463569 419615291 /nfs/dbraw/zinc/61/52/91/419615291.db2.gz ADHDJWQIQUBVOQ-JKSUJKDBSA-N 2 1 262.441 3.031 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467193 419621289 /nfs/dbraw/zinc/62/12/89/419621289.db2.gz DEBMYUDKHXDKOA-WBVHZDCISA-N 2 1 287.451 3.163 20 0 CGADMP Cc1nc([C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466520 419621986 /nfs/dbraw/zinc/62/19/86/419621986.db2.gz UYZDFPFYECXCQC-SWLSCSKDSA-N 2 1 293.480 3.224 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3ccccc23)[C@@H](C)C1 ZINC000658215564 419666725 /nfs/dbraw/zinc/66/67/25/419666725.db2.gz UGQNGZYAVIMXGJ-MAUKXSAKSA-N 2 1 299.462 3.041 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229277 419688829 /nfs/dbraw/zinc/68/88/29/419688829.db2.gz PZIVWKGPRGTPBI-YCPHGPKFSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229277 419688841 /nfs/dbraw/zinc/68/88/41/419688841.db2.gz PZIVWKGPRGTPBI-YCPHGPKFSA-N 2 1 250.430 3.172 20 0 CGADMP CCOC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658229473 419690504 /nfs/dbraw/zinc/69/05/04/419690504.db2.gz DLVHNKBDDWNPEH-UPTPFMHGSA-N 2 1 294.483 3.331 20 0 CGADMP CCOC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658229473 419690514 /nfs/dbraw/zinc/69/05/14/419690514.db2.gz DLVHNKBDDWNPEH-UPTPFMHGSA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000658237908 419692608 /nfs/dbraw/zinc/69/26/08/419692608.db2.gz GOCIXYRGCFTKFS-KRWDZBQOSA-N 2 1 288.435 3.232 20 0 CGADMP Cc1[nH+]c2c(n1CC[N@@H+](C)Cc1ccccc1)CCCC2 ZINC000664048656 419812824 /nfs/dbraw/zinc/81/28/24/419812824.db2.gz MDLKWKBHOGSAIW-UHFFFAOYSA-N 2 1 283.419 3.202 20 0 CGADMP Cc1[nH+]c2c(n1CC[N@H+](C)Cc1ccccc1)CCCC2 ZINC000664048656 419812828 /nfs/dbraw/zinc/81/28/28/419812828.db2.gz MDLKWKBHOGSAIW-UHFFFAOYSA-N 2 1 283.419 3.202 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300316193 261192966 /nfs/dbraw/zinc/19/29/66/261192966.db2.gz ZHPFUYQPLORXAM-UKRRQHHQSA-N 2 1 285.435 3.059 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300316193 261192968 /nfs/dbraw/zinc/19/29/68/261192968.db2.gz ZHPFUYQPLORXAM-UKRRQHHQSA-N 2 1 285.435 3.059 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+](C)C ZINC000186982779 262119953 /nfs/dbraw/zinc/11/99/53/262119953.db2.gz GTKURHZPXOSGGR-XJKSGUPXSA-N 2 1 286.529 3.474 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CCC[NH+](CC)CC)cc1 ZINC000019943064 262181421 /nfs/dbraw/zinc/18/14/21/262181421.db2.gz IOMUKMUZZHGAMB-OAHLLOKOSA-N 2 1 278.440 3.468 20 0 CGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC4CCC4)C[C@@H]3C2)cc1 ZINC000390795033 262346452 /nfs/dbraw/zinc/34/64/52/262346452.db2.gz IOGGTEPNCBMXEJ-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCC4)C[C@@H]3C2)cc1 ZINC000390795033 262346454 /nfs/dbraw/zinc/34/64/54/262346454.db2.gz IOGGTEPNCBMXEJ-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCC4)C[C@@H]3C2)cc1 ZINC000390795033 262346456 /nfs/dbraw/zinc/34/64/56/262346456.db2.gz IOGGTEPNCBMXEJ-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP CC(C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000390836007 262349878 /nfs/dbraw/zinc/34/98/78/262349878.db2.gz CRQQAINUGHCFRQ-NPYXIHBLSA-N 2 1 264.457 3.416 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2cc(C)ccc2C)C1 ZINC000040599010 270029819 /nfs/dbraw/zinc/02/98/19/270029819.db2.gz GKQMCNWCIKJSHZ-QGZVFWFLSA-N 2 1 290.451 3.004 20 0 CGADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000194250587 270081490 /nfs/dbraw/zinc/08/14/90/270081490.db2.gz VSUDJICWVGUJHA-FMKPAKJESA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000194250587 270081491 /nfs/dbraw/zinc/08/14/91/270081491.db2.gz VSUDJICWVGUJHA-FMKPAKJESA-N 2 1 252.446 3.418 20 0 CGADMP C(CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228096951 270087725 /nfs/dbraw/zinc/08/77/25/270087725.db2.gz RYGFTYBLVMCOKP-HOTGVXAUSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000321881110 270093292 /nfs/dbraw/zinc/09/32/92/270093292.db2.gz JIBYFXIPXYYSOM-IIDMSEBBSA-N 2 1 272.436 3.285 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000322834529 270094107 /nfs/dbraw/zinc/09/41/07/270094107.db2.gz HPYSDEHNBJXJPC-HMQMGEFJSA-N 2 1 276.399 3.492 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000521122638 270100506 /nfs/dbraw/zinc/10/05/06/270100506.db2.gz XUWIMWYHCDXGOZ-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000521122638 270100507 /nfs/dbraw/zinc/10/05/07/270100507.db2.gz XUWIMWYHCDXGOZ-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@H]1CC12CC2 ZINC000527844186 270139353 /nfs/dbraw/zinc/13/93/53/270139353.db2.gz GPLOOLJNMBQZON-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527855991 270139856 /nfs/dbraw/zinc/13/98/56/270139856.db2.gz XUPPUYFBIRNHRF-QRJUGERDSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527855991 270139857 /nfs/dbraw/zinc/13/98/57/270139857.db2.gz XUPPUYFBIRNHRF-QRJUGERDSA-N 2 1 264.457 3.131 20 0 CGADMP Cc1cccc([C@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)c1 ZINC000527889705 270142090 /nfs/dbraw/zinc/14/20/90/270142090.db2.gz BHGUGPVWOTXDOE-QGZVFWFLSA-N 2 1 271.408 3.258 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000527896045 270142608 /nfs/dbraw/zinc/14/26/08/270142608.db2.gz BOKMLMCRWHTTII-JKSUJKDBSA-N 2 1 283.419 3.268 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCCC1(C)C ZINC000527919349 270144010 /nfs/dbraw/zinc/14/40/10/270144010.db2.gz HPSGZJYXJNHVNG-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP c1cc2c(cc[nH+]c2NC[C@H]2CC[N@H+]2C2CCCCC2)[nH]1 ZINC000528117991 270154804 /nfs/dbraw/zinc/15/48/04/270154804.db2.gz OFPORRYXTDJWSP-CQSZACIVSA-N 2 1 284.407 3.382 20 0 CGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528374198 270162922 /nfs/dbraw/zinc/16/29/22/270162922.db2.gz WPTVEKVUENZUDU-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528374198 270162923 /nfs/dbraw/zinc/16/29/23/270162923.db2.gz WPTVEKVUENZUDU-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@H]1c1ccccc1 ZINC000530215750 270195965 /nfs/dbraw/zinc/19/59/65/270195965.db2.gz INEWZEUGJDILIK-GVDBMIGSSA-N 2 1 284.447 3.443 20 0 CGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC2(CCCC2)O1 ZINC000530359306 270199348 /nfs/dbraw/zinc/19/93/48/270199348.db2.gz MTYQHCILWLBESY-IKGGRYGDSA-N 2 1 292.467 3.037 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC2(CCCC2)O1 ZINC000530359306 270199349 /nfs/dbraw/zinc/19/93/49/270199349.db2.gz MTYQHCILWLBESY-IKGGRYGDSA-N 2 1 292.467 3.037 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530354799 270199386 /nfs/dbraw/zinc/19/93/86/270199386.db2.gz CGVGETJDYYXURA-ROUUACIJSA-N 2 1 283.419 3.197 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CC1 ZINC000531693054 270208885 /nfs/dbraw/zinc/20/88/85/270208885.db2.gz GBGUNTOJNITSQU-MRXNPFEDSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000531693054 270208886 /nfs/dbraw/zinc/20/88/86/270208886.db2.gz GBGUNTOJNITSQU-MRXNPFEDSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000531932287 270211071 /nfs/dbraw/zinc/21/10/71/270211071.db2.gz ZXYVZTPMJXHCHW-MAUKXSAKSA-N 2 1 274.452 3.282 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC(C)C)[C@H](C)C1 ZINC000531989639 270212537 /nfs/dbraw/zinc/21/25/37/270212537.db2.gz HMXPCXFUBFGFLP-SJORKVTESA-N 2 1 284.488 3.149 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532214994 270214461 /nfs/dbraw/zinc/21/44/61/270214461.db2.gz UUIIHEVEKQWWMF-JJXSEGSLSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532214994 270214462 /nfs/dbraw/zinc/21/44/62/270214462.db2.gz UUIIHEVEKQWWMF-JJXSEGSLSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422729721 273722698 /nfs/dbraw/zinc/72/26/98/273722698.db2.gz IMBIPEPBTMATDY-ZACQAIPSSA-N 2 1 258.409 3.184 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000360985287 273746669 /nfs/dbraw/zinc/74/66/69/273746669.db2.gz HACOLRZTIJAKSO-WNRNVDISSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423357387 274216805 /nfs/dbraw/zinc/21/68/05/274216805.db2.gz AHOABZZWEPAFIT-WCQYABFASA-N 2 1 287.432 3.124 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)C[NH+](C)C ZINC000425936140 274225876 /nfs/dbraw/zinc/22/58/76/274225876.db2.gz HFKXFASLDJHBAB-JSGCOSHPSA-N 2 1 264.413 3.080 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000343122259 274393342 /nfs/dbraw/zinc/39/33/42/274393342.db2.gz TYLJAJIUTDVUBZ-DIOULYMOSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000343122259 274393344 /nfs/dbraw/zinc/39/33/44/274393344.db2.gz TYLJAJIUTDVUBZ-DIOULYMOSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217977 274394016 /nfs/dbraw/zinc/39/40/16/274394016.db2.gz TXTVBBQPCVDNQM-PVUWLOKVSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217977 274394018 /nfs/dbraw/zinc/39/40/18/274394018.db2.gz TXTVBBQPCVDNQM-PVUWLOKVSA-N 2 1 276.399 3.275 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000037786501 275512925 /nfs/dbraw/zinc/51/29/25/275512925.db2.gz RJXYQVBQMATCNB-INIZCTEOSA-N 2 1 288.435 3.232 20 0 CGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000354220447 275918821 /nfs/dbraw/zinc/91/88/21/275918821.db2.gz YJVXTCUJFAOLGN-SJORKVTESA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439987 276001891 /nfs/dbraw/zinc/00/18/91/276001891.db2.gz ABRZKCQCVOPNRY-YVSFHVDLSA-N 2 1 298.540 3.474 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000513100063 276012200 /nfs/dbraw/zinc/01/22/00/276012200.db2.gz FYLVMQZUIZECSF-FJIDUMEYSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000513100063 276012201 /nfs/dbraw/zinc/01/22/01/276012201.db2.gz FYLVMQZUIZECSF-FJIDUMEYSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CCSC1)CC(C)C ZINC000486987635 276113741 /nfs/dbraw/zinc/11/37/41/276113741.db2.gz MRCCVSANPMXROB-LSDHHAIUSA-N 2 1 272.502 3.086 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451411923 276324613 /nfs/dbraw/zinc/32/46/13/276324613.db2.gz VWLCGEMZZLAAOA-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451411923 276324614 /nfs/dbraw/zinc/32/46/14/276324614.db2.gz VWLCGEMZZLAAOA-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000278537293 276360440 /nfs/dbraw/zinc/36/04/40/276360440.db2.gz USUBNRZEVSXTMN-ZWKOTPCHSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)C[NH+]1CCCC1 ZINC000274948918 287897428 /nfs/dbraw/zinc/89/74/28/287897428.db2.gz UWSYPFMNHBZSQG-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000271882096 277023613 /nfs/dbraw/zinc/02/36/13/277023613.db2.gz POPALPFVMCPAOJ-KRWDZBQOSA-N 2 1 270.420 3.261 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000129790607 277031583 /nfs/dbraw/zinc/03/15/83/277031583.db2.gz XOYXBYKMYDPMAW-HNNXBMFYSA-N 2 1 264.800 3.011 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2ccccc2F)C1 ZINC000339376708 277046544 /nfs/dbraw/zinc/04/65/44/277046544.db2.gz JUXJSCGDKSZCSK-HOTGVXAUSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339376708 277046546 /nfs/dbraw/zinc/04/65/46/277046546.db2.gz JUXJSCGDKSZCSK-HOTGVXAUSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339376708 277046548 /nfs/dbraw/zinc/04/65/48/277046548.db2.gz JUXJSCGDKSZCSK-HOTGVXAUSA-N 2 1 290.426 3.489 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000503052111 277078852 /nfs/dbraw/zinc/07/88/52/277078852.db2.gz JRZWHNJEGAAABS-WMZOPIPTSA-N 2 1 272.436 3.312 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC000352969838 277145188 /nfs/dbraw/zinc/14/51/88/277145188.db2.gz BBHPIEPGHAIWQF-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC000352969838 277145190 /nfs/dbraw/zinc/14/51/90/277145190.db2.gz BBHPIEPGHAIWQF-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC000352969838 277145191 /nfs/dbraw/zinc/14/51/91/277145191.db2.gz BBHPIEPGHAIWQF-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC000352969838 277145192 /nfs/dbraw/zinc/14/51/92/277145192.db2.gz BBHPIEPGHAIWQF-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009647 277186361 /nfs/dbraw/zinc/18/63/61/277186361.db2.gz OPIGJYAQYBXONO-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009647 277186362 /nfs/dbraw/zinc/18/63/62/277186362.db2.gz OPIGJYAQYBXONO-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009647 277186364 /nfs/dbraw/zinc/18/63/64/277186364.db2.gz OPIGJYAQYBXONO-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009647 277186365 /nfs/dbraw/zinc/18/63/65/277186365.db2.gz OPIGJYAQYBXONO-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP COC1(C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCCC1 ZINC000319448961 277187252 /nfs/dbraw/zinc/18/72/52/277187252.db2.gz MVPRJQPLLFZZOS-UHFFFAOYSA-N 2 1 282.472 3.190 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423281989 277282706 /nfs/dbraw/zinc/28/27/06/277282706.db2.gz WAYIGAUAIMHMHL-JBLDHEPKSA-N 2 1 270.467 3.119 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178977469 277366884 /nfs/dbraw/zinc/36/68/84/277366884.db2.gz QQCGUORQWWZUJV-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423374902 277883939 /nfs/dbraw/zinc/88/39/39/277883939.db2.gz UBOPLIFDIDHVEH-DETPVDSQSA-N 2 1 282.378 3.044 20 0 CGADMP CC(C)c1ccc([C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320568 278044696 /nfs/dbraw/zinc/04/46/96/278044696.db2.gz LRVIVBHJGAPQTR-XYPHTWIQSA-N 2 1 258.409 3.022 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CCCO2 ZINC000423433463 278052942 /nfs/dbraw/zinc/05/29/42/278052942.db2.gz CJZOHVSQFGYVEF-XJKCOSOUSA-N 2 1 276.424 3.349 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(CSC)CC1 ZINC000395374510 288008639 /nfs/dbraw/zinc/00/86/39/288008639.db2.gz PGZKFHOTLJMKQS-WLYUNCDWSA-N 2 1 272.502 3.228 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(CSC)CC1 ZINC000395374510 288008640 /nfs/dbraw/zinc/00/86/40/288008640.db2.gz PGZKFHOTLJMKQS-WLYUNCDWSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000397287184 288022624 /nfs/dbraw/zinc/02/26/24/288022624.db2.gz VCFQPDSKNBXRPM-KEYYUXOJSA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000397353290 288022929 /nfs/dbraw/zinc/02/29/29/288022929.db2.gz VFQGZJAQWGDIGG-MBNYWOFBSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000226333022 278228122 /nfs/dbraw/zinc/22/81/22/278228122.db2.gz AUXLGLIRBRPIIP-SDDRHHMPSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000226333022 278228123 /nfs/dbraw/zinc/22/81/23/278228123.db2.gz AUXLGLIRBRPIIP-SDDRHHMPSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@]1(C)CCCO1 ZINC000340468110 278257502 /nfs/dbraw/zinc/25/75/02/278257502.db2.gz QOQNQBQEJRKSIP-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1(C)CC1 ZINC000359909024 278258473 /nfs/dbraw/zinc/25/84/73/278258473.db2.gz JGYVZKBDLVYMPE-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000250907694 278274569 /nfs/dbraw/zinc/27/45/69/278274569.db2.gz SLXCHFGPCNHDJT-IMJJTQAJSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC1(C)C ZINC000397737037 288028663 /nfs/dbraw/zinc/02/86/63/288028663.db2.gz GWXMFYRYILLBMW-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1nccc2ccccc21)C[NH+](C)C ZINC000293364224 278284616 /nfs/dbraw/zinc/28/46/16/278284616.db2.gz HORQVIZFVOCCIJ-KBPBESRZSA-N 2 1 271.408 3.083 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252765344 278306953 /nfs/dbraw/zinc/30/69/53/278306953.db2.gz IKAULIFSHFTQON-LOWVWBTDSA-N 2 1 286.341 3.436 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000019914606 278335968 /nfs/dbraw/zinc/33/59/68/278335968.db2.gz SDCBJPVJHYQSAP-CQSZACIVSA-N 2 1 258.409 3.039 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334668406 278340485 /nfs/dbraw/zinc/34/04/85/278340485.db2.gz GKGZSOWFLWEHAX-QGZVFWFLSA-N 2 1 296.524 3.468 20 0 CGADMP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422771880 278341340 /nfs/dbraw/zinc/34/13/40/278341340.db2.gz RUUPOFQKAKEIMK-IUODEOHRSA-N 2 1 278.827 3.102 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000367056980 278341936 /nfs/dbraw/zinc/34/19/36/278341936.db2.gz DSAJVNCFJJWVEA-IRXDYDNUSA-N 2 1 294.483 3.047 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C(C)(C)c1ccccc1 ZINC000278863364 278355360 /nfs/dbraw/zinc/35/53/60/278355360.db2.gz BCJLPAQOOCCEBV-HZPDHXFCSA-N 2 1 297.446 3.401 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1Br ZINC000128977176 278382376 /nfs/dbraw/zinc/38/23/76/278382376.db2.gz LDDKWPKFPTYGAN-NEPJUHHUSA-N 2 1 297.240 3.242 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000474809563 278384792 /nfs/dbraw/zinc/38/47/92/278384792.db2.gz MKCOQVOLZFCNEX-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000474809563 278384793 /nfs/dbraw/zinc/38/47/93/278384793.db2.gz MKCOQVOLZFCNEX-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCCCC1 ZINC000481299434 288043483 /nfs/dbraw/zinc/04/34/83/288043483.db2.gz MLNUNGPVKOOTPV-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000481577104 288078016 /nfs/dbraw/zinc/07/80/16/288078016.db2.gz SHKJSWGISHTPCD-KQTLUZQSSA-N 2 1 252.446 3.131 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000459404059 288089861 /nfs/dbraw/zinc/08/98/61/288089861.db2.gz CKFCMCHYFDBPSQ-FMKPAKJESA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000459410942 288091126 /nfs/dbraw/zinc/09/11/26/288091126.db2.gz DIKXXHSLELVOLD-LBPRGKRZSA-N 2 1 294.389 3.285 20 0 CGADMP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459444679 288092817 /nfs/dbraw/zinc/09/28/17/288092817.db2.gz ZLDOWNNPNGOHDF-HNNXBMFYSA-N 2 1 272.436 3.315 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358391617 279014176 /nfs/dbraw/zinc/01/41/76/279014176.db2.gz FEDJLCDZROIRDF-DJZPMSPPSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358391617 279014177 /nfs/dbraw/zinc/01/41/77/279014177.db2.gz FEDJLCDZROIRDF-DJZPMSPPSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000079675986 288105651 /nfs/dbraw/zinc/10/56/51/288105651.db2.gz MDGRTXZFEBZIAF-UMVBOHGHSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423261807 279142354 /nfs/dbraw/zinc/14/23/54/279142354.db2.gz KYAHCCWTGGDEHZ-DGCLKSJQSA-N 2 1 262.388 3.163 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000459745922 288101225 /nfs/dbraw/zinc/10/12/25/288101225.db2.gz YWALQBQIUWBFIL-INIZCTEOSA-N 2 1 294.483 3.047 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000037977215 279262397 /nfs/dbraw/zinc/26/23/97/279262397.db2.gz PJOZBPVWDOJYQC-ZMSDIMECSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000486957566 279351184 /nfs/dbraw/zinc/35/11/84/279351184.db2.gz PGLRBDLDHCPFLO-TUVASFSCSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000486957566 279351185 /nfs/dbraw/zinc/35/11/85/279351185.db2.gz PGLRBDLDHCPFLO-TUVASFSCSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](C[NH2+]CC[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000526119216 288150191 /nfs/dbraw/zinc/15/01/91/288150191.db2.gz WNSOZNWMXYDYOC-AWEZNQCLSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@@H](C[NH2+]CC[N@@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000526119216 288150193 /nfs/dbraw/zinc/15/01/93/288150193.db2.gz WNSOZNWMXYDYOC-AWEZNQCLSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000178038588 288161426 /nfs/dbraw/zinc/16/14/26/288161426.db2.gz BPVIOYJZTISAJQ-NCOADZHNSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC(C)(C)C1 ZINC000344330291 280009655 /nfs/dbraw/zinc/00/96/55/280009655.db2.gz OAXCOMQKVQGNFK-ZFWWWQNUSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527681212 288187857 /nfs/dbraw/zinc/18/78/57/288187857.db2.gz MHWVNLBNTCLXCS-LAQRGFTBSA-N 2 1 278.484 3.379 20 0 CGADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccccc1F ZINC000163828696 280195786 /nfs/dbraw/zinc/19/57/86/280195786.db2.gz IXGIAUNZXBYXFE-IUODEOHRSA-N 2 1 252.377 3.207 20 0 CGADMP CC[C@@H](c1ccncc1)[N@H+](C)CCC[NH+](CC)CC ZINC000191601039 280220349 /nfs/dbraw/zinc/22/03/49/280220349.db2.gz CARCLYADKALJJW-INIZCTEOSA-N 2 1 263.429 3.196 20 0 CGADMP CC[C@@H](c1ccncc1)[N@@H+](C)CCC[NH+](CC)CC ZINC000191601039 280220351 /nfs/dbraw/zinc/22/03/51/280220351.db2.gz CARCLYADKALJJW-INIZCTEOSA-N 2 1 263.429 3.196 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000401566843 280261669 /nfs/dbraw/zinc/26/16/69/280261669.db2.gz BPWGJWXKNJXJOK-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502032576 280265262 /nfs/dbraw/zinc/26/52/62/280265262.db2.gz MAFZVMGCVBIWRQ-XDNAFOTISA-N 2 1 296.499 3.434 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000414203387 281117913 /nfs/dbraw/zinc/11/79/13/281117913.db2.gz ZYDGBQZMNOELHA-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178892 288295979 /nfs/dbraw/zinc/29/59/79/288295979.db2.gz SOXCPNOBEGJIEV-IUODEOHRSA-N 2 1 278.827 3.145 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179074 288295984 /nfs/dbraw/zinc/29/59/84/288295984.db2.gz SOXCPNOBEGJIEV-WFASDCNBSA-N 2 1 278.827 3.145 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262028298 281372851 /nfs/dbraw/zinc/37/28/51/281372851.db2.gz NSNBRVBRSHTTGY-JFIYKMOQSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000347006378 281373160 /nfs/dbraw/zinc/37/31/60/281373160.db2.gz QAOMOXUZOPUMKE-IXDOHACOSA-N 2 1 272.436 3.172 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000532474974 288363545 /nfs/dbraw/zinc/36/35/45/288363545.db2.gz JNIJAUBXWJEHSZ-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP CCCCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550627612 289079528 /nfs/dbraw/zinc/07/95/28/289079528.db2.gz NHLWJTKHOWPAOB-ROUUACIJSA-N 2 1 290.451 3.228 20 0 CGADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550627612 289079531 /nfs/dbraw/zinc/07/95/31/289079531.db2.gz NHLWJTKHOWPAOB-ROUUACIJSA-N 2 1 290.451 3.228 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC=C(C)CC2)[C@H](C)C1 ZINC000550887238 289088938 /nfs/dbraw/zinc/08/89/38/289088938.db2.gz XIANUQNQWJVORV-SQNIBIBYSA-N 2 1 294.483 3.212 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000550930852 289091663 /nfs/dbraw/zinc/09/16/63/289091663.db2.gz KPVZWBNZASPCQJ-IRXDYDNUSA-N 2 1 264.457 3.443 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000551042529 289096449 /nfs/dbraw/zinc/09/64/49/289096449.db2.gz NNCYRTKQMQVOHW-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554361898 289275455 /nfs/dbraw/zinc/27/54/55/289275455.db2.gz KBZWQASYRZTAHO-GVDBMIGSSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000554880098 289316722 /nfs/dbraw/zinc/31/67/22/289316722.db2.gz AKHJSHUQWGWZEC-IBGZPJMESA-N 2 1 286.463 3.467 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000556202483 289377043 /nfs/dbraw/zinc/37/70/43/289377043.db2.gz RSZZUXGECRSPFB-UVPYHEFZSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125329131 290214774 /nfs/dbraw/zinc/21/47/74/290214774.db2.gz JBKLZUCWTCNUHL-ZAZJYDDPSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125329131 290214780 /nfs/dbraw/zinc/21/47/80/290214780.db2.gz JBKLZUCWTCNUHL-ZAZJYDDPSA-N 2 1 280.362 3.085 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000375807615 290224130 /nfs/dbraw/zinc/22/41/30/290224130.db2.gz RFALKTCFXPIKBR-NRKLIOEPSA-N 2 1 294.483 3.043 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000339005098 293201079 /nfs/dbraw/zinc/20/10/79/293201079.db2.gz JMEPIYDBJIBTBE-INIZCTEOSA-N 2 1 289.467 3.287 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000339005098 293201081 /nfs/dbraw/zinc/20/10/81/293201081.db2.gz JMEPIYDBJIBTBE-INIZCTEOSA-N 2 1 289.467 3.287 20 0 CGADMP Cc1nc(C(C)C)ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000339005098 293201083 /nfs/dbraw/zinc/20/10/83/293201083.db2.gz JMEPIYDBJIBTBE-INIZCTEOSA-N 2 1 289.467 3.287 20 0 CGADMP Cc1nc(C(C)C)ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000339005098 293201084 /nfs/dbraw/zinc/20/10/84/293201084.db2.gz JMEPIYDBJIBTBE-INIZCTEOSA-N 2 1 289.467 3.287 20 0 CGADMP COCc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)o1 ZINC000248615085 293306631 /nfs/dbraw/zinc/30/66/31/293306631.db2.gz KAEUIMJVWFGURF-HOCLYGCPSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)o1 ZINC000248615085 293306634 /nfs/dbraw/zinc/30/66/34/293306634.db2.gz KAEUIMJVWFGURF-HOCLYGCPSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000248615085 293306636 /nfs/dbraw/zinc/30/66/36/293306636.db2.gz KAEUIMJVWFGURF-HOCLYGCPSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)o1 ZINC000248615085 293306638 /nfs/dbraw/zinc/30/66/38/293306638.db2.gz KAEUIMJVWFGURF-HOCLYGCPSA-N 2 1 292.423 3.047 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CCS2 ZINC000424370625 295272128 /nfs/dbraw/zinc/27/21/28/295272128.db2.gz DUIIUBDVWOHEKC-QLFBSQMISA-N 2 1 292.448 3.092 20 0 CGADMP C[C@H](C1CCC1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)C1CCC1 ZINC000357027932 298263635 /nfs/dbraw/zinc/26/36/35/298263635.db2.gz UDDFQNQDQUTEHG-IYBDPMFKSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@H](C1CCC1)[N@@H+](C)CCOCC[NH+](C)[C@@H](C)C1CCC1 ZINC000357027932 298263638 /nfs/dbraw/zinc/26/36/38/298263638.db2.gz UDDFQNQDQUTEHG-IYBDPMFKSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@H](C1CCC1)[N@H+](C)CCOCC[NH+](C)[C@@H](C)C1CCC1 ZINC000357027932 298263640 /nfs/dbraw/zinc/26/36/40/298263640.db2.gz UDDFQNQDQUTEHG-IYBDPMFKSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@H](CC1CCOCC1)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352541359 298362745 /nfs/dbraw/zinc/36/27/45/298362745.db2.gz WZSHFCQALRVMML-MRXNPFEDSA-N 2 1 296.499 3.280 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2ccccn2)cc1 ZINC000423091100 301807204 /nfs/dbraw/zinc/80/72/04/301807204.db2.gz ZIILRIOUGHLSBS-RKVPGOIHSA-N 2 1 283.419 3.195 20 0 CGADMP CSC1(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CCC1 ZINC000564763430 322041779 /nfs/dbraw/zinc/04/17/79/322041779.db2.gz VGTIVPLJHKETSW-UHFFFAOYSA-N 2 1 284.513 3.324 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000564971447 322051918 /nfs/dbraw/zinc/05/19/18/322051918.db2.gz LLPFKBDGUDSIBY-SQNIBIBYSA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000564971447 322051921 /nfs/dbraw/zinc/05/19/21/322051921.db2.gz LLPFKBDGUDSIBY-SQNIBIBYSA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CCC1 ZINC000565095635 322059490 /nfs/dbraw/zinc/05/94/90/322059490.db2.gz GNXYEYVVNRUWRG-UHFFFAOYSA-N 2 1 272.436 3.343 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000565695841 322087365 /nfs/dbraw/zinc/08/73/65/322087365.db2.gz PFSKMWQOPRXKON-KRWDZBQOSA-N 2 1 290.451 3.393 20 0 CGADMP COCC[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000565801436 322091734 /nfs/dbraw/zinc/09/17/34/322091734.db2.gz NBZFJOIAVKXHDV-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000566088508 322103579 /nfs/dbraw/zinc/10/35/79/322103579.db2.gz WVUQSOLVGPGOHS-SNVBAGLBSA-N 2 1 260.834 3.440 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1 ZINC000567026490 322147081 /nfs/dbraw/zinc/14/70/81/322147081.db2.gz FMURCHYCFBQVKR-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)c1 ZINC000567026490 322147084 /nfs/dbraw/zinc/14/70/84/322147084.db2.gz FMURCHYCFBQVKR-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)c1 ZINC000567026490 322147086 /nfs/dbraw/zinc/14/70/86/322147086.db2.gz FMURCHYCFBQVKR-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP CC1=CC[C@H]([NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000567068672 322149423 /nfs/dbraw/zinc/14/94/23/322149423.db2.gz ZTBJUUOYRCBUAQ-YVSFHVDLSA-N 2 1 264.457 3.441 20 0 CGADMP CC1=CC[C@H]([NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000567068672 322149424 /nfs/dbraw/zinc/14/94/24/322149424.db2.gz ZTBJUUOYRCBUAQ-YVSFHVDLSA-N 2 1 264.457 3.441 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)co2)cc1 ZINC000568486834 322211214 /nfs/dbraw/zinc/21/12/14/322211214.db2.gz FFCVWZZBSSVQAZ-LSDHHAIUSA-N 2 1 285.391 3.010 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000568566984 322214145 /nfs/dbraw/zinc/21/41/45/322214145.db2.gz ZLIZCIMTMLXLSG-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000568566984 322214146 /nfs/dbraw/zinc/21/41/46/322214146.db2.gz ZLIZCIMTMLXLSG-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1Cl ZINC000568566984 322214148 /nfs/dbraw/zinc/21/41/48/322214148.db2.gz ZLIZCIMTMLXLSG-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1Cl ZINC000568566984 322214149 /nfs/dbraw/zinc/21/41/49/322214149.db2.gz ZLIZCIMTMLXLSG-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000568917720 322227557 /nfs/dbraw/zinc/22/75/57/322227557.db2.gz DHZKBBWYWIVZED-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000568917720 322227559 /nfs/dbraw/zinc/22/75/59/322227559.db2.gz DHZKBBWYWIVZED-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000568917720 322227562 /nfs/dbraw/zinc/22/75/62/322227562.db2.gz DHZKBBWYWIVZED-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccc(Cl)cc1 ZINC000569136313 322236252 /nfs/dbraw/zinc/23/62/52/322236252.db2.gz CFJFAUOVXHVFIQ-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000570058875 322264022 /nfs/dbraw/zinc/26/40/22/322264022.db2.gz KONHQRJUTSULDV-MWDXBVQZSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000570058875 322264023 /nfs/dbraw/zinc/26/40/23/322264023.db2.gz KONHQRJUTSULDV-MWDXBVQZSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2C=CCCCCC2)C1 ZINC000570502637 322275098 /nfs/dbraw/zinc/27/50/98/322275098.db2.gz HOGSHRXCCKSWIN-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000570502637 322275099 /nfs/dbraw/zinc/27/50/99/322275099.db2.gz HOGSHRXCCKSWIN-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000570502637 322275101 /nfs/dbraw/zinc/27/51/01/322275101.db2.gz HOGSHRXCCKSWIN-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccsc2)C1 ZINC000570856964 322283991 /nfs/dbraw/zinc/28/39/91/322283991.db2.gz LMNPURFHHIDCRL-ZBFHGGJFSA-N 2 1 280.481 3.389 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1C(F)(F)F ZINC000571892062 322311178 /nfs/dbraw/zinc/31/11/78/322311178.db2.gz VDTVFPXCNRGXRS-YPMHNXCESA-N 2 1 286.341 3.325 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1C ZINC000572062922 322318285 /nfs/dbraw/zinc/31/82/85/322318285.db2.gz ZOQMPXKCUVVATJ-ULQDDVLXSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1C ZINC000572062922 322318286 /nfs/dbraw/zinc/31/82/86/322318286.db2.gz ZOQMPXKCUVVATJ-ULQDDVLXSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1C ZINC000572062922 322318289 /nfs/dbraw/zinc/31/82/89/322318289.db2.gz ZOQMPXKCUVVATJ-ULQDDVLXSA-N 2 1 294.483 3.283 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000572527316 322341980 /nfs/dbraw/zinc/34/19/80/322341980.db2.gz XUUCXJOWHVVWST-CZUORRHYSA-N 2 1 278.465 3.227 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000572542083 322342571 /nfs/dbraw/zinc/34/25/71/322342571.db2.gz SLJZXMNMUVTRIG-HPUBIQBYSA-N 2 1 258.409 3.259 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000572589966 322345024 /nfs/dbraw/zinc/34/50/24/322345024.db2.gz WWOKTCQLQYEBOW-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000573228800 322376858 /nfs/dbraw/zinc/37/68/58/322376858.db2.gz AWLVGEUWZMUSMC-BHIYHBOVSA-N 2 1 298.474 3.489 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000573335408 322382835 /nfs/dbraw/zinc/38/28/35/322382835.db2.gz RIJIYJKCSCSBJH-INIZCTEOSA-N 2 1 298.434 3.236 20 0 CGADMP CC(C)C[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000573444444 322388213 /nfs/dbraw/zinc/38/82/13/322388213.db2.gz DJMFAEHEBWVLEA-ROUUACIJSA-N 2 1 274.452 3.487 20 0 CGADMP CC(C)C[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000573444445 322388289 /nfs/dbraw/zinc/38/82/89/322388289.db2.gz DJMFAEHEBWVLEA-ZWKOTPCHSA-N 2 1 274.452 3.487 20 0 CGADMP FC(F)(F)C1CCC(C[NH2+]CCC[NH+]2CCC2)CC1 ZINC000583332475 326806896 /nfs/dbraw/zinc/80/68/96/326806896.db2.gz JBMJEHIUIUDBRX-UHFFFAOYSA-N 2 1 278.362 3.041 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000583374068 327330670 /nfs/dbraw/zinc/33/06/70/327330670.db2.gz JCUNTNZJZVTHCW-QGZVFWFLSA-N 2 1 290.426 3.298 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582467087 329088724 /nfs/dbraw/zinc/08/87/24/329088724.db2.gz YZYNUKZUZHRGTD-YVSFHVDLSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582467087 329088725 /nfs/dbraw/zinc/08/87/25/329088725.db2.gz YZYNUKZUZHRGTD-YVSFHVDLSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1[nH+]c2ccccc2c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000582749657 329140234 /nfs/dbraw/zinc/14/02/34/329140234.db2.gz YRCGQFSSEVGHPL-HNNXBMFYSA-N 2 1 295.430 3.170 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000191806571 330961212 /nfs/dbraw/zinc/96/12/12/330961212.db2.gz KBUOCPZAJIBCPR-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1C ZINC000576289136 335184199 /nfs/dbraw/zinc/18/41/99/335184199.db2.gz VDHQNCYSELALTE-BBRMVZONSA-N 2 1 288.435 3.126 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1C ZINC000576289136 335184200 /nfs/dbraw/zinc/18/42/00/335184200.db2.gz VDHQNCYSELALTE-BBRMVZONSA-N 2 1 288.435 3.126 20 0 CGADMP CC(C)[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000576594439 335224029 /nfs/dbraw/zinc/22/40/29/335224029.db2.gz YRKHIKRSUGCSBA-QGZVFWFLSA-N 2 1 289.398 3.479 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000577106891 335301132 /nfs/dbraw/zinc/30/11/32/335301132.db2.gz KGRVSRYJTUEPMK-QAPCUYQASA-N 2 1 274.452 3.254 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000577106891 335301134 /nfs/dbraw/zinc/30/11/34/335301134.db2.gz KGRVSRYJTUEPMK-QAPCUYQASA-N 2 1 274.452 3.254 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000577125208 335305060 /nfs/dbraw/zinc/30/50/60/335305060.db2.gz OALLSULWXGVNAA-OLZOCXBDSA-N 2 1 261.413 3.216 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1C ZINC000577561958 335368651 /nfs/dbraw/zinc/36/86/51/335368651.db2.gz KPCGYAFEDCUSRM-FUHWJXTLSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000577561958 335368652 /nfs/dbraw/zinc/36/86/52/335368652.db2.gz KPCGYAFEDCUSRM-FUHWJXTLSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000577561958 335368653 /nfs/dbraw/zinc/36/86/53/335368653.db2.gz KPCGYAFEDCUSRM-FUHWJXTLSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC000577561958 335368654 /nfs/dbraw/zinc/36/86/54/335368654.db2.gz KPCGYAFEDCUSRM-FUHWJXTLSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC000577561958 335368655 /nfs/dbraw/zinc/36/86/55/335368655.db2.gz KPCGYAFEDCUSRM-FUHWJXTLSA-N 2 1 274.452 3.384 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)cc1 ZINC000578237061 335590366 /nfs/dbraw/zinc/59/03/66/335590366.db2.gz YCLGQEVTJZUYGU-XEZPLFJOSA-N 2 1 285.391 3.009 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]CC2(C)CC2)C1 ZINC000579787099 335883438 /nfs/dbraw/zinc/88/34/38/335883438.db2.gz UCRGNEXRLJWXEB-ZIAGYGMSSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000581188506 336021187 /nfs/dbraw/zinc/02/11/87/336021187.db2.gz SDUVPYAAGLQIEF-CQSZACIVSA-N 2 1 281.403 3.439 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000581188506 336021188 /nfs/dbraw/zinc/02/11/88/336021188.db2.gz SDUVPYAAGLQIEF-CQSZACIVSA-N 2 1 281.403 3.439 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000581191194 336022132 /nfs/dbraw/zinc/02/21/32/336022132.db2.gz PKFBNWCJPWLCFI-JQHSSLGASA-N 2 1 272.436 3.168 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)oc2cc1C ZINC000581198625 336023527 /nfs/dbraw/zinc/02/35/27/336023527.db2.gz JOXOWVUEVMGIJU-ZFWWWQNUSA-N 2 1 272.392 3.361 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000381057714 336047354 /nfs/dbraw/zinc/04/73/54/336047354.db2.gz UKGVYKLPAUQOEQ-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000381057714 336047356 /nfs/dbraw/zinc/04/73/56/336047356.db2.gz UKGVYKLPAUQOEQ-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000382037750 336080659 /nfs/dbraw/zinc/08/06/59/336080659.db2.gz HADJYBMLPYQVTL-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000382037750 336080660 /nfs/dbraw/zinc/08/06/60/336080660.db2.gz HADJYBMLPYQVTL-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000382037750 336080661 /nfs/dbraw/zinc/08/06/61/336080661.db2.gz HADJYBMLPYQVTL-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP CSCC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000385808191 336157044 /nfs/dbraw/zinc/15/70/44/336157044.db2.gz HTRKCYMYNJYDQN-SSHXOBKSSA-N 2 1 282.497 3.125 20 0 CGADMP CSCC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000385808191 336157045 /nfs/dbraw/zinc/15/70/45/336157045.db2.gz HTRKCYMYNJYDQN-SSHXOBKSSA-N 2 1 282.497 3.125 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000581951528 336178127 /nfs/dbraw/zinc/17/81/27/336178127.db2.gz FFVBJNGAWYUAQH-MSOLQXFVSA-N 2 1 283.419 3.279 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427103672 533770938 /nfs/dbraw/zinc/77/09/38/533770938.db2.gz WOAOTBQPGXHBQL-CJNGLKHVSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427103672 533770946 /nfs/dbraw/zinc/77/09/46/533770946.db2.gz WOAOTBQPGXHBQL-CJNGLKHVSA-N 2 1 278.827 3.141 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000423297310 533771658 /nfs/dbraw/zinc/77/16/58/533771658.db2.gz JSORKYUUBJPNOZ-BQBZGAKWSA-N 2 1 267.225 3.300 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000414069097 533810133 /nfs/dbraw/zinc/81/01/33/533810133.db2.gz RHVAGKNWPXIULM-JTDSTZFVSA-N 2 1 286.463 3.328 20 0 CGADMP COc1cccc2c(C[NH2+]CCn3cc[nH+]c3C)cccc12 ZINC000449105880 533838180 /nfs/dbraw/zinc/83/81/80/533838180.db2.gz FJMIUXHSEAVCTI-UHFFFAOYSA-N 2 1 295.386 3.143 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1csc(Cl)c1 ZINC000423345518 533890920 /nfs/dbraw/zinc/89/09/20/533890920.db2.gz PBNDBDNJXJIBSK-GWCFXTLKSA-N 2 1 272.845 3.442 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000423476504 533906518 /nfs/dbraw/zinc/90/65/18/533906518.db2.gz LPZZXWCUSDHUKM-UKMLZYKCSA-N 2 1 294.389 3.013 20 0 CGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc2ccccc21 ZINC000449170626 533906983 /nfs/dbraw/zinc/90/69/83/533906983.db2.gz IVZOYYZDDDINPF-YOEHRIQHSA-N 2 1 298.430 3.421 20 0 CGADMP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000359517206 534105867 /nfs/dbraw/zinc/10/58/67/534105867.db2.gz NMRCLWJNQVCOOG-DOTOQJQBSA-N 2 1 292.492 3.301 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037643636 520779893 /nfs/dbraw/zinc/77/98/93/520779893.db2.gz GJQKEWHUCSWPOC-NVXWUHKLSA-N 2 1 260.425 3.459 20 0 CGADMP CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccnc1 ZINC000184833149 521153600 /nfs/dbraw/zinc/15/36/00/521153600.db2.gz VMPVERBLZRQTMR-HNNXBMFYSA-N 2 1 263.429 3.100 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCc1ccsc1)C1CCCCC1 ZINC000420379687 534675959 /nfs/dbraw/zinc/67/59/59/534675959.db2.gz XYHIMZPTPRKISN-OAHLLOKOSA-N 2 1 266.454 3.178 20 0 CGADMP Cc1cc(N2CCC([NH2+]CCCC(C)C)CC2)nc(C)[nH+]1 ZINC000364842885 525057056 /nfs/dbraw/zinc/05/70/56/525057056.db2.gz KGBGZBGEIWZEGL-UHFFFAOYSA-N 2 1 290.455 3.088 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000184489035 526212449 /nfs/dbraw/zinc/21/24/49/526212449.db2.gz WPWRILXXVDKTLM-JKSUJKDBSA-N 2 1 275.440 3.305 20 0 CGADMP C[N@H+](Cc1ccc(C2CC2)cc1)CC1CC[NH+](C)CC1 ZINC000459343331 536466581 /nfs/dbraw/zinc/46/65/81/536466581.db2.gz SOUOIXJSRXHVCZ-UHFFFAOYSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)nc2C)C[C@H]1C ZINC000359888505 527754480 /nfs/dbraw/zinc/75/44/80/527754480.db2.gz TXRBNCIAIOWTLZ-RHSMWYFYSA-N 2 1 275.440 3.003 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)nc2C)C[C@H]1C ZINC000359888505 527754485 /nfs/dbraw/zinc/75/44/85/527754485.db2.gz TXRBNCIAIOWTLZ-RHSMWYFYSA-N 2 1 275.440 3.003 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)nc2C)C[C@H]1C ZINC000359888505 527754492 /nfs/dbraw/zinc/75/44/92/527754492.db2.gz TXRBNCIAIOWTLZ-RHSMWYFYSA-N 2 1 275.440 3.003 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)nc2C)C[C@H]1C ZINC000359888505 527754498 /nfs/dbraw/zinc/75/44/98/527754498.db2.gz TXRBNCIAIOWTLZ-RHSMWYFYSA-N 2 1 275.440 3.003 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000449151578 527827963 /nfs/dbraw/zinc/82/79/63/527827963.db2.gz AQXPCSRAJYGINW-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000177398290 527955131 /nfs/dbraw/zinc/95/51/31/527955131.db2.gz XLDATVXWNBRLAJ-INIZCTEOSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cncs2)C1 ZINC000358344087 527975277 /nfs/dbraw/zinc/97/52/77/527975277.db2.gz IZFHYDOGQIEJLS-KGLIPLIRSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cncs2)C1 ZINC000358344087 527975281 /nfs/dbraw/zinc/97/52/81/527975281.db2.gz IZFHYDOGQIEJLS-KGLIPLIRSA-N 2 1 281.469 3.162 20 0 CGADMP CCC[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000361232451 528065744 /nfs/dbraw/zinc/06/57/44/528065744.db2.gz OIIBEDWQUBSQES-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519751 528067837 /nfs/dbraw/zinc/06/78/37/528067837.db2.gz QLBUAWQWXXQTDC-FCCDEINASA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424384689 528154444 /nfs/dbraw/zinc/15/44/44/528154444.db2.gz VLIPHJDQGUALAZ-IAGOWNOFSA-N 2 1 276.424 3.081 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423279433 528311239 /nfs/dbraw/zinc/31/12/39/528311239.db2.gz SMFJIWFVFLWNOQ-RISCZKNCSA-N 2 1 299.256 3.473 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423267743 528534727 /nfs/dbraw/zinc/53/47/27/528534727.db2.gz FSAJTJKAOXYGTN-MFKMUULPSA-N 2 1 290.329 3.219 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(F)c(F)c1 ZINC000423269422 528588575 /nfs/dbraw/zinc/58/85/75/528588575.db2.gz HDCCCOHVFPLVSH-HUUCEWRRSA-N 2 1 270.367 3.235 20 0 CGADMP CCOc1ccc([C@@H](CC)[NH2+]CC(C)(C)[NH3+])cc1OCC ZINC000423282220 528597710 /nfs/dbraw/zinc/59/77/10/528597710.db2.gz CLFYTMNDXUVUQO-CQSZACIVSA-N 2 1 294.439 3.262 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367590723 528656016 /nfs/dbraw/zinc/65/60/16/528656016.db2.gz VTBYDAMALSHEMT-RCCFBDPRSA-N 2 1 288.435 3.048 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)C)[C@H](C)C1 ZINC000437076633 528668138 /nfs/dbraw/zinc/66/81/38/528668138.db2.gz OVVXANVLZATGLO-SJORKVTESA-N 2 1 298.515 3.395 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423328691 528720612 /nfs/dbraw/zinc/72/06/12/528720612.db2.gz ODSUOIOUJURADE-CYBMUJFWSA-N 2 1 262.397 3.007 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414818848 528818197 /nfs/dbraw/zinc/81/81/97/528818197.db2.gz WVHFXXWNJZBLNA-WFASDCNBSA-N 2 1 252.377 3.036 20 0 CGADMP CCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423346020 528895026 /nfs/dbraw/zinc/89/50/26/528895026.db2.gz YGHUXOIZMRBINW-WBAXXEDZSA-N 2 1 290.451 3.309 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507205 528896222 /nfs/dbraw/zinc/89/62/22/528896222.db2.gz JJVOYMWQYSBTSA-VYMRPNJYSA-N 2 1 295.515 3.007 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000423291707 528949480 /nfs/dbraw/zinc/94/94/80/528949480.db2.gz JOHKRJLMDVVELA-ZDUSSCGKSA-N 2 1 294.439 3.180 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423287260 528952934 /nfs/dbraw/zinc/95/29/34/528952934.db2.gz LDLJEOHDRUPGPT-SNVBAGLBSA-N 2 1 256.340 3.133 20 0 CGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000449148820 529006122 /nfs/dbraw/zinc/00/61/22/529006122.db2.gz LPFCFFIQDGDREU-QZTJIDSGSA-N 2 1 296.499 3.172 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423268985 529068379 /nfs/dbraw/zinc/06/83/79/529068379.db2.gz GSSCRCZCPDNLCE-KBXCAEBGSA-N 2 1 283.419 3.383 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436279054 529085589 /nfs/dbraw/zinc/08/55/89/529085589.db2.gz GQSVTTTZMNXWKL-CYBMUJFWSA-N 2 1 289.398 3.129 20 0 CGADMP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(F)cn1 ZINC000355036494 529157273 /nfs/dbraw/zinc/15/72/73/529157273.db2.gz JSCIAYQXNYADJF-OAHLLOKOSA-N 2 1 293.430 3.383 20 0 CGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CC1(C)C ZINC000414068243 529160810 /nfs/dbraw/zinc/16/08/10/529160810.db2.gz AZCYBBFACIIESE-LSDHHAIUSA-N 2 1 263.429 3.386 20 0 CGADMP CCc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424283756 529168228 /nfs/dbraw/zinc/16/82/28/529168228.db2.gz BYXACVJPDGJDCN-OAHLLOKOSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366219562 529180853 /nfs/dbraw/zinc/18/08/53/529180853.db2.gz BBZXQGAGUMTAOX-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423324939 529205591 /nfs/dbraw/zinc/20/55/91/529205591.db2.gz LFUBJFKEUPCCPF-PRHODGIISA-N 2 1 261.196 3.381 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423439750 529257901 /nfs/dbraw/zinc/25/79/01/529257901.db2.gz IBNLCRQIURZLMT-SRVKXCTJSA-N 2 1 252.427 3.185 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247010000 534959069 /nfs/dbraw/zinc/95/90/69/534959069.db2.gz LCVNZXIIFDCULG-WBVHZDCISA-N 2 1 288.435 3.222 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459741045 534992909 /nfs/dbraw/zinc/99/29/09/534992909.db2.gz UYOBNHVEQNGTMF-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@H](C)C1 ZINC000459415373 535519739 /nfs/dbraw/zinc/51/97/39/535519739.db2.gz PHECWXIZLKYSDA-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000480693091 535804437 /nfs/dbraw/zinc/80/44/37/535804437.db2.gz JBRUZQNRVKVWOJ-CVEARBPZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000513745902 536098242 /nfs/dbraw/zinc/09/82/42/536098242.db2.gz JROISSZBOJMINI-QGZVFWFLSA-N 2 1 274.452 3.454 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(Cl)c2)C1 ZINC000459722828 536384587 /nfs/dbraw/zinc/38/45/87/536384587.db2.gz CBMDRVDLKYUMTC-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000459779907 536384614 /nfs/dbraw/zinc/38/46/14/536384614.db2.gz LQTCCEXFFMKOBL-CYBMUJFWSA-N 2 1 289.398 3.129 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123691761 536554724 /nfs/dbraw/zinc/55/47/24/536554724.db2.gz ZIBHQSMHPKYFPB-CQSZACIVSA-N 2 1 284.831 3.154 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123691761 536554730 /nfs/dbraw/zinc/55/47/30/536554730.db2.gz ZIBHQSMHPKYFPB-CQSZACIVSA-N 2 1 284.831 3.154 20 0 CGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCC[C@H]1C ZINC000487971666 536834598 /nfs/dbraw/zinc/83/45/98/536834598.db2.gz LBMXNUWCLBTLRL-WBVHZDCISA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCC[C@H]1C ZINC000487971666 536834604 /nfs/dbraw/zinc/83/46/04/536834604.db2.gz LBMXNUWCLBTLRL-WBVHZDCISA-N 2 1 293.455 3.109 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2nccc3ccccc32)C1 ZINC000749288166 572991648 /nfs/dbraw/zinc/99/16/48/572991648.db2.gz WRVYKXMHZPGRDI-CVEARBPZSA-N 2 1 283.419 3.197 20 0 CGADMP CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767652 618125262 /nfs/dbraw/zinc/12/52/62/618125262.db2.gz MBNSNYLIXQZOSE-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1Cl ZINC000234289141 618159731 /nfs/dbraw/zinc/15/97/31/618159731.db2.gz UKWKNLHSDPFUNV-UHFFFAOYSA-N 2 1 266.816 3.350 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000892059535 618512642 /nfs/dbraw/zinc/51/26/42/618512642.db2.gz ACORKNZRKYYTSV-YJBOKZPZSA-N 2 1 272.436 3.206 20 0 CGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000121804230 618631050 /nfs/dbraw/zinc/63/10/50/618631050.db2.gz CLJPDEQZAMIHNT-IXDOHACOSA-N 2 1 276.468 3.418 20 0 CGADMP CSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000235167958 618721385 /nfs/dbraw/zinc/72/13/85/618721385.db2.gz PJXBLVYVOGZAEF-LSDHHAIUSA-N 2 1 282.497 3.269 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000235213450 618742775 /nfs/dbraw/zinc/74/27/75/618742775.db2.gz ZROJDDPJVSFWPG-UKRRQHHQSA-N 2 1 254.377 3.242 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCCCC(C)C)cn1 ZINC000892633194 618881275 /nfs/dbraw/zinc/88/12/75/618881275.db2.gz BFJKGYQLSLCCOY-UHFFFAOYSA-N 2 1 286.423 3.492 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893304099 619080244 /nfs/dbraw/zinc/08/02/44/619080244.db2.gz KRRXYXARRQPVKT-UHFFFAOYSA-N 2 1 284.325 3.115 20 0 CGADMP Fc1ccc(CC2(C[NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925615131 619088190 /nfs/dbraw/zinc/08/81/90/619088190.db2.gz LTUVWRWGIMNHCT-MRXNPFEDSA-N 2 1 288.410 3.023 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000925713196 619158640 /nfs/dbraw/zinc/15/86/40/619158640.db2.gz WQWUSERKLLBPKQ-HUUCEWRRSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925735667 619210084 /nfs/dbraw/zinc/21/00/84/619210084.db2.gz IAZKGRYIAWMOHW-QWHCGFSZSA-N 2 1 296.842 3.215 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(Cl)n1 ZINC000925765565 619226788 /nfs/dbraw/zinc/22/67/88/619226788.db2.gz KXBOEIUXKCJDBS-CHWSQXEVSA-N 2 1 281.831 3.039 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000261577653 619289900 /nfs/dbraw/zinc/28/99/00/619289900.db2.gz LGWBOUFQWKVYJG-MRVPVSSYSA-N 2 1 261.196 3.381 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(O)cc(Cl)c2)CC1 ZINC000893859595 619323666 /nfs/dbraw/zinc/32/36/66/619323666.db2.gz YHGVPTNJLZKCJB-UHFFFAOYSA-N 2 1 294.826 3.106 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(O)cc(Cl)c2)CC1 ZINC000893859595 619323669 /nfs/dbraw/zinc/32/36/69/619323669.db2.gz YHGVPTNJLZKCJB-UHFFFAOYSA-N 2 1 294.826 3.106 20 0 CGADMP C[N@@H+](C/C=C\c1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000894002287 619349674 /nfs/dbraw/zinc/34/96/74/619349674.db2.gz OTQDZUSBBKMBDH-XQRVVYSFSA-N 2 1 276.399 3.113 20 0 CGADMP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c2c(c1)CCCN2 ZINC000894195401 619409415 /nfs/dbraw/zinc/40/94/15/619409415.db2.gz ZFAXFSAJWPBLSQ-UHFFFAOYSA-N 2 1 299.462 3.009 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2(Cl)CC2)c1 ZINC000924958930 619461735 /nfs/dbraw/zinc/46/17/35/619461735.db2.gz NKTXTOBTGLLAHW-ZDUSSCGKSA-N 2 1 280.843 3.388 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3O)s2)CC[N@@H+]1C ZINC000894312306 619485775 /nfs/dbraw/zinc/48/57/75/619485775.db2.gz HKYXBFUCLMFGTD-NEPJUHHUSA-N 2 1 290.432 3.179 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3O)s2)CC[N@H+]1C ZINC000894312306 619485777 /nfs/dbraw/zinc/48/57/77/619485777.db2.gz HKYXBFUCLMFGTD-NEPJUHHUSA-N 2 1 290.432 3.179 20 0 CGADMP CC(C)[C@@H]1[N@@H+](CC2CC[NH+](C)CC2)CC12CC=CC2 ZINC000895123969 619741550 /nfs/dbraw/zinc/74/15/50/619741550.db2.gz XCYKSWPQWURYJG-INIZCTEOSA-N 2 1 262.441 3.005 20 0 CGADMP CCc1ncc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000895380430 619816616 /nfs/dbraw/zinc/81/66/16/619816616.db2.gz YJRIHSKXAPRTIP-ZFWWWQNUSA-N 2 1 295.496 3.258 20 0 CGADMP CCc1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000895380430 619816618 /nfs/dbraw/zinc/81/66/18/619816618.db2.gz YJRIHSKXAPRTIP-ZFWWWQNUSA-N 2 1 295.496 3.258 20 0 CGADMP CC(C)n1cncc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683547 619872733 /nfs/dbraw/zinc/87/27/33/619872733.db2.gz NPPZLWGIKARWLZ-UHFFFAOYSA-N 2 1 292.471 3.162 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC000262434032 620120298 /nfs/dbraw/zinc/12/02/98/620120298.db2.gz GDNZWABLPREREP-LJQANCHMSA-N 2 1 296.414 3.034 20 0 CGADMP Clc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000035054324 620289484 /nfs/dbraw/zinc/28/94/84/620289484.db2.gz PJOZRINQJPLSAW-UHFFFAOYSA-N 2 1 264.800 3.056 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CC=CC2)[C@H](C)C1 ZINC000926952472 620554444 /nfs/dbraw/zinc/55/44/44/620554444.db2.gz YHMMBZUDXVWAPZ-SJLPKXTDSA-N 2 1 294.483 3.069 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000924693551 620564447 /nfs/dbraw/zinc/56/44/47/620564447.db2.gz CLNZXLGSOKFKEY-KSZLIROESA-N 2 1 296.499 3.148 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000902078185 621126967 /nfs/dbraw/zinc/12/69/67/621126967.db2.gz JWBQKWNGDGJQIP-UHFFFAOYSA-N 2 1 289.467 3.389 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902359847 621290027 /nfs/dbraw/zinc/29/00/27/621290027.db2.gz HHLWASADMLVCHX-VNHYZAJKSA-N 2 1 276.424 3.271 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902475324 621326073 /nfs/dbraw/zinc/32/60/73/621326073.db2.gz IIVABZXCWNUFNY-UUAJXVIYSA-N 2 1 270.420 3.051 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000902452746 621331316 /nfs/dbraw/zinc/33/13/16/621331316.db2.gz AICAKMFOAPGLRF-KJFZJZGVSA-N 2 1 287.451 3.350 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)C2CCOCC2)C1 ZINC000902761643 621429870 /nfs/dbraw/zinc/42/98/70/621429870.db2.gz VTYJBMCAIZKBPQ-WMZOPIPTSA-N 2 1 296.499 3.149 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)C2CCOCC2)C1 ZINC000902761641 621429910 /nfs/dbraw/zinc/42/99/10/621429910.db2.gz VTYJBMCAIZKBPQ-FUHWJXTLSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902819750 621455644 /nfs/dbraw/zinc/45/56/44/621455644.db2.gz WSAURXCBMGYLOC-HUUCEWRRSA-N 2 1 261.413 3.140 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000903059931 621548607 /nfs/dbraw/zinc/54/86/07/621548607.db2.gz XQFJPTKVXVSQLW-OKZBNKHCSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903061578 621550565 /nfs/dbraw/zinc/55/05/65/621550565.db2.gz HJAUXMCRANYAHT-VHRNVKJDSA-N 2 1 250.430 3.170 20 0 CGADMP FC1(F)CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903123555 621588964 /nfs/dbraw/zinc/58/89/64/621588964.db2.gz BPXUPOCRUJFOPI-YPRXJGMQSA-N 2 1 284.394 3.312 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(C)(C)O1 ZINC000903147004 621598632 /nfs/dbraw/zinc/59/86/32/621598632.db2.gz LTRDQZNEIFBXCH-YPAMNDHTSA-N 2 1 292.467 3.080 20 0 CGADMP Cc1cccnc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178549 621614941 /nfs/dbraw/zinc/61/49/41/621614941.db2.gz IBMUNFLEUCGBNI-ZNXRZULTSA-N 2 1 299.462 3.070 20 0 CGADMP C[C@@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903168161 621618031 /nfs/dbraw/zinc/61/80/31/621618031.db2.gz SYRFLAPSBRLPHE-VGWXVEKNSA-N 2 1 262.441 3.170 20 0 CGADMP c1ccc(C2(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000903170531 621619903 /nfs/dbraw/zinc/61/99/03/621619903.db2.gz KGKKGJQCOMQZNQ-ZWKOTPCHSA-N 2 1 284.447 3.325 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903193235 621621110 /nfs/dbraw/zinc/62/11/10/621621110.db2.gz DFFAXMFITQOTCU-KRWDZBQOSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903193235 621621117 /nfs/dbraw/zinc/62/11/17/621621117.db2.gz DFFAXMFITQOTCU-KRWDZBQOSA-N 2 1 275.440 3.100 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ncccc3c2)CC1(C)C ZINC000903193343 621621414 /nfs/dbraw/zinc/62/14/14/621621414.db2.gz SDDSXRPITGVPRU-QGZVFWFLSA-N 2 1 297.446 3.240 20 0 CGADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903220150 621633042 /nfs/dbraw/zinc/63/30/42/621633042.db2.gz LGBVJVHISPPQAG-KGUBHOCISA-N 2 1 274.452 3.026 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431281 621743656 /nfs/dbraw/zinc/74/36/56/621743656.db2.gz QSLPSLAEIUOGSF-DYEKYZERSA-N 2 1 264.438 3.185 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430646 621743683 /nfs/dbraw/zinc/74/36/83/621743683.db2.gz ZJVIXLYFKVOIRI-LOWVWBTDSA-N 2 1 268.351 3.085 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC000903434540 621745541 /nfs/dbraw/zinc/74/55/41/621745541.db2.gz HQWOHHIHHQCXHC-FGTMMUONSA-N 2 1 272.436 3.069 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000903444056 621756107 /nfs/dbraw/zinc/75/61/07/621756107.db2.gz OKXDKNOKVRFPMR-XQQFMLRXSA-N 2 1 281.469 3.134 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)C[C@H]1CC[NH3+] ZINC000903500045 621766384 /nfs/dbraw/zinc/76/63/84/621766384.db2.gz RSAXRZKPOPLISR-XHBSWPGZSA-N 2 1 278.827 3.244 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CCCC[NH2+]C2)s1 ZINC000903739435 621801002 /nfs/dbraw/zinc/80/10/02/621801002.db2.gz JPIOZDYKCDZERG-ZIAGYGMSSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)s1 ZINC000903739435 621801004 /nfs/dbraw/zinc/80/10/04/621801004.db2.gz JPIOZDYKCDZERG-ZIAGYGMSSA-N 2 1 295.496 3.396 20 0 CGADMP CC[C@@](C)([NH2+]C[C@H]1CCCC[NH2+]C1)c1nc(C)cs1 ZINC000903741413 621801512 /nfs/dbraw/zinc/80/15/12/621801512.db2.gz PSOFRFICVNIIHO-DZGCQCFKSA-N 2 1 281.469 3.056 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903742165 621801618 /nfs/dbraw/zinc/80/16/18/621801618.db2.gz VJSBBULGFFZLPJ-IRXDYDNUSA-N 2 1 276.399 3.120 20 0 CGADMP Clc1ccc(CCC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903863651 621822465 /nfs/dbraw/zinc/82/24/65/621822465.db2.gz DCMZABPNWUZUPI-MRXNPFEDSA-N 2 1 278.827 3.101 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903863651 621822466 /nfs/dbraw/zinc/82/24/66/621822466.db2.gz DCMZABPNWUZUPI-MRXNPFEDSA-N 2 1 278.827 3.101 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903891502 621824235 /nfs/dbraw/zinc/82/42/35/621824235.db2.gz BDIAKWDPQZPQOI-SNCAWSDZSA-N 2 1 262.441 3.170 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903893224 621827690 /nfs/dbraw/zinc/82/76/90/621827690.db2.gz SRORHDSNWJAZFZ-UYTSQGDYSA-N 2 1 282.497 3.125 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCSC2(CCCCC2)C1 ZINC000903899117 621829800 /nfs/dbraw/zinc/82/98/00/621829800.db2.gz RWYKDFDYYZWAMF-MQVJKMGUSA-N 2 1 294.508 3.269 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC(F)F)cc1 ZINC000903923499 621833254 /nfs/dbraw/zinc/83/32/54/621833254.db2.gz VTXGEQDLXLNNNV-CMPLNLGQSA-N 2 1 288.407 3.432 20 0 CGADMP [NH3+][C@@H](C[NH2+]CCc1csc2ccccc12)CC(F)F ZINC000903924716 621834206 /nfs/dbraw/zinc/83/42/06/621834206.db2.gz HXYCMZLYSRPKDK-LLVKDONJSA-N 2 1 284.375 3.016 20 0 CGADMP C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903917276 621836259 /nfs/dbraw/zinc/83/62/59/621836259.db2.gz YEQMMMZSIDBKFJ-HOCLYGCPSA-N 2 1 282.378 3.066 20 0 CGADMP C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903917276 621836261 /nfs/dbraw/zinc/83/62/61/621836261.db2.gz YEQMMMZSIDBKFJ-HOCLYGCPSA-N 2 1 282.378 3.066 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)c(F)c3)C[C@H]21 ZINC000904302362 621901737 /nfs/dbraw/zinc/90/17/37/621901737.db2.gz VBILGTHPLRCYFK-UXIGCNINSA-N 2 1 298.352 3.323 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315498 621904153 /nfs/dbraw/zinc/90/41/53/621904153.db2.gz CAGVVMWMTQFURE-OTVXOJSOSA-N 2 1 264.388 3.164 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000904321490 621905755 /nfs/dbraw/zinc/90/57/55/621905755.db2.gz YUWWBHBZUVKDNI-HOCLYGCPSA-N 2 1 293.480 3.150 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000904321490 621905759 /nfs/dbraw/zinc/90/57/59/621905759.db2.gz YUWWBHBZUVKDNI-HOCLYGCPSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@]1(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000904322565 621906202 /nfs/dbraw/zinc/90/62/02/621906202.db2.gz ZUELYYFGXCQLKA-SJORKVTESA-N 2 1 290.476 3.166 20 0 CGADMP C[C@]1(C[N@H+]2CCS[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000904322565 621906205 /nfs/dbraw/zinc/90/62/05/621906205.db2.gz ZUELYYFGXCQLKA-SJORKVTESA-N 2 1 290.476 3.166 20 0 CGADMP CSc1ccccc1C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904340643 621909216 /nfs/dbraw/zinc/90/92/16/621909216.db2.gz ASAYRJAPNINLNR-INIZCTEOSA-N 2 1 278.465 3.230 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904340643 621909219 /nfs/dbraw/zinc/90/92/19/621909219.db2.gz ASAYRJAPNINLNR-INIZCTEOSA-N 2 1 278.465 3.230 20 0 CGADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904345554 621910461 /nfs/dbraw/zinc/91/04/61/621910461.db2.gz KCOAGKGCPRMTTB-MSOLQXFVSA-N 2 1 272.436 3.174 20 0 CGADMP COCc1cccc(C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1 ZINC000904364235 621914814 /nfs/dbraw/zinc/91/48/14/621914814.db2.gz JEIJCTBJHQNVKR-MRXNPFEDSA-N 2 1 278.440 3.076 20 0 CGADMP C[N@H+](CC[NH2+][C@@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924803233 622076647 /nfs/dbraw/zinc/07/66/47/622076647.db2.gz QNHDGIAQTUPASE-SFHVURJKSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924803233 622076649 /nfs/dbraw/zinc/07/66/49/622076649.db2.gz QNHDGIAQTUPASE-SFHVURJKSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000230730585 623266469 /nfs/dbraw/zinc/26/64/69/623266469.db2.gz OGWSXJQFFQMPQG-SFHVURJKSA-N 2 1 292.467 3.082 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000230730585 623266473 /nfs/dbraw/zinc/26/64/73/623266473.db2.gz OGWSXJQFFQMPQG-SFHVURJKSA-N 2 1 292.467 3.082 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000152649877 623698522 /nfs/dbraw/zinc/69/85/22/623698522.db2.gz VKAITMNHHGRCMA-KRWDZBQOSA-N 2 1 288.435 3.147 20 0 CGADMP CC(C)(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000324342183 623800472 /nfs/dbraw/zinc/80/04/72/623800472.db2.gz DORMOUJHFJMSRB-RBSFLKMASA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH]c(CSCC[NH+](C(C)C)C(C)C)c(C)[nH+]1 ZINC000917389559 624266226 /nfs/dbraw/zinc/26/62/26/624266226.db2.gz NQBZGINYKQVUHY-UHFFFAOYSA-N 2 1 269.458 3.379 20 0 CGADMP Cc1cnc(Cl)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000921791239 625876157 /nfs/dbraw/zinc/87/61/57/625876157.db2.gz RSUQDLKVAOHOAA-GOOCMWNKSA-N 2 1 293.842 3.148 20 0 CGADMP Cc1cnc(Cl)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000921791239 625876160 /nfs/dbraw/zinc/87/61/60/625876160.db2.gz RSUQDLKVAOHOAA-GOOCMWNKSA-N 2 1 293.842 3.148 20 0 CGADMP c1ccc(SC[C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923317388 626144676 /nfs/dbraw/zinc/14/46/76/626144676.db2.gz QZQYKFGXIYRVHH-HNNXBMFYSA-N 2 1 290.476 3.243 20 0 CGADMP c1cncc([C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923372768 626150008 /nfs/dbraw/zinc/15/00/08/626150008.db2.gz JEHDDUYWRGLQOW-ONQFOCNCSA-N 2 1 285.435 3.139 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923494042 626158422 /nfs/dbraw/zinc/15/84/22/626158422.db2.gz VMHPAQFRFOWWTR-AAEUAGOBSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923493546 626158785 /nfs/dbraw/zinc/15/87/85/626158785.db2.gz IJZNQOKBCUNDOZ-BXUZGUMPSA-N 2 1 268.351 3.041 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498877 626158861 /nfs/dbraw/zinc/15/88/61/626158861.db2.gz QNOZMFHGQBIGDV-DUVNUKRYSA-N 2 1 264.388 3.194 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@H]1C[NH3+] ZINC000923500744 626159191 /nfs/dbraw/zinc/15/91/91/626159191.db2.gz XXUYIRXKGLPBJO-STQMWFEESA-N 2 1 274.433 3.318 20 0 CGADMP [NH3+]CCCCCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526958 626161003 /nfs/dbraw/zinc/16/10/03/626161003.db2.gz WTGGULDEDKEKCL-HZPDHXFCSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1CCC[NH3+] ZINC000923531478 626161538 /nfs/dbraw/zinc/16/15/38/626161538.db2.gz RTNUUEFPRYBAKF-ZDUSSCGKSA-N 2 1 272.845 3.147 20 0 CGADMP C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000757891736 626812793 /nfs/dbraw/zinc/81/27/93/626812793.db2.gz OZTHHWXEAZMPJK-OAHLLOKOSA-N 2 1 283.419 3.336 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3nc(C)sc32)[C@@H](C)C1 ZINC000766258910 627307336 /nfs/dbraw/zinc/30/73/36/627307336.db2.gz PWCGFPNVTPWZNC-WHOFXGATSA-N 2 1 293.480 3.149 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3nc(C)sc32)[C@@H](C)C1 ZINC000766258910 627307337 /nfs/dbraw/zinc/30/73/37/627307337.db2.gz PWCGFPNVTPWZNC-WHOFXGATSA-N 2 1 293.480 3.149 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)o1 ZINC000770377271 627616457 /nfs/dbraw/zinc/61/64/57/627616457.db2.gz ZKMINNCMYRHKBS-MAUKXSAKSA-N 2 1 288.435 3.345 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)o1 ZINC000770377271 627616459 /nfs/dbraw/zinc/61/64/59/627616459.db2.gz ZKMINNCMYRHKBS-MAUKXSAKSA-N 2 1 288.435 3.345 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)o1 ZINC000770377271 627616461 /nfs/dbraw/zinc/61/64/61/627616461.db2.gz ZKMINNCMYRHKBS-MAUKXSAKSA-N 2 1 288.435 3.345 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC000773070563 627850201 /nfs/dbraw/zinc/85/02/01/627850201.db2.gz XRVZLHKIYKBNKG-WBVHZDCISA-N 2 1 260.425 3.123 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774348154 627980369 /nfs/dbraw/zinc/98/03/69/627980369.db2.gz KNDSDQRDTCQRQC-MQVJKMGUSA-N 2 1 298.430 3.499 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)CCO)[NH2+][C@H](C)c1ccccc1 ZINC000779349059 628409642 /nfs/dbraw/zinc/40/96/42/628409642.db2.gz VEZZDQMSMPRQBO-HZPDHXFCSA-N 2 1 292.467 3.257 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000788480497 629058332 /nfs/dbraw/zinc/05/83/32/629058332.db2.gz KSZDEGOBZLILMI-PBHICJAKSA-N 2 1 290.426 3.345 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000790049144 629179759 /nfs/dbraw/zinc/17/97/59/629179759.db2.gz MRGUSFNNBOJXTK-GDBMZVCRSA-N 2 1 260.425 3.036 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@]1(C)CCCS1 ZINC000862247722 629329875 /nfs/dbraw/zinc/32/98/75/629329875.db2.gz BIOGLSSVQBSMLZ-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@]1(C)CCCS1 ZINC000862247722 629329882 /nfs/dbraw/zinc/32/98/82/629329882.db2.gz BIOGLSSVQBSMLZ-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@]1(C)CCCS1 ZINC000862247722 629329889 /nfs/dbraw/zinc/32/98/89/629329889.db2.gz BIOGLSSVQBSMLZ-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP CC1CCC(C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000794832195 629584381 /nfs/dbraw/zinc/58/43/81/629584381.db2.gz HEPAXKCPIIUKGP-MSJJKYGJSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000797595756 629967064 /nfs/dbraw/zinc/96/70/64/629967064.db2.gz GABDBXJPXXSGTA-CYBMUJFWSA-N 2 1 295.858 3.255 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957405 630128217 /nfs/dbraw/zinc/12/82/17/630128217.db2.gz WBYYEPSPMBBFNR-OAHLLOKOSA-N 2 1 292.492 3.487 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)CC1 ZINC000798957044 630128554 /nfs/dbraw/zinc/12/85/54/630128554.db2.gz JTYFYQMIDJKBOB-UHFFFAOYSA-N 2 1 298.474 3.483 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(CF)cc1 ZINC000799175015 630152795 /nfs/dbraw/zinc/15/27/95/630152795.db2.gz QLUNGSKGVVZCEO-UHFFFAOYSA-N 2 1 264.388 3.074 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(CF)cc1 ZINC000799175015 630152799 /nfs/dbraw/zinc/15/27/99/630152799.db2.gz QLUNGSKGVVZCEO-UHFFFAOYSA-N 2 1 264.388 3.074 20 0 CGADMP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000865733925 630555839 /nfs/dbraw/zinc/55/58/39/630555839.db2.gz AQDSZWZKTLQSQB-QAQDUYKDSA-N 2 1 290.476 3.135 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000878288054 635445888 /nfs/dbraw/zinc/44/58/88/635445888.db2.gz NGXFUMLXXHQJTN-UHFFFAOYSA-N 2 1 292.814 3.070 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000878288054 635445892 /nfs/dbraw/zinc/44/58/92/635445892.db2.gz NGXFUMLXXHQJTN-UHFFFAOYSA-N 2 1 292.814 3.070 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144561 631729637 /nfs/dbraw/zinc/72/96/37/631729637.db2.gz JWOSFCHOCPLYEK-MJGOQNOKSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815144561 631729640 /nfs/dbraw/zinc/72/96/40/631729640.db2.gz JWOSFCHOCPLYEK-MJGOQNOKSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815144561 631729645 /nfs/dbraw/zinc/72/96/45/631729645.db2.gz JWOSFCHOCPLYEK-MJGOQNOKSA-N 2 1 286.463 3.425 20 0 CGADMP CSCCCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817922364 632235097 /nfs/dbraw/zinc/23/50/97/632235097.db2.gz VLGDPBHBNCOOJB-LBPRGKRZSA-N 2 1 267.442 3.068 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000817972221 632266456 /nfs/dbraw/zinc/26/64/56/632266456.db2.gz VGANSJSPKUHJGM-HPBDAGMYSA-N 2 1 272.436 3.443 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000817980877 632271395 /nfs/dbraw/zinc/27/13/95/632271395.db2.gz FLXGVFUUKRHMQG-AAEUAGOBSA-N 2 1 258.475 3.014 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCCC1 ZINC000817982281 632273040 /nfs/dbraw/zinc/27/30/40/632273040.db2.gz QSWHVPUYPWJPJG-LLLHUVSDSA-N 2 1 264.457 3.452 20 0 CGADMP [NH3+]C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000818330593 632307119 /nfs/dbraw/zinc/30/71/19/632307119.db2.gz BZERCDILWSEMKU-NEPJUHHUSA-N 2 1 279.255 3.068 20 0 CGADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)CC[C@H]1CCCC[NH+]1C ZINC000822640510 632994901 /nfs/dbraw/zinc/99/49/01/632994901.db2.gz ZXXMPRNADVTWIJ-QWHCGFSZSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000822640510 632994907 /nfs/dbraw/zinc/99/49/07/632994907.db2.gz ZXXMPRNADVTWIJ-QWHCGFSZSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)CC[C@H]1CCCC[N@H+]1C ZINC000822640510 632994916 /nfs/dbraw/zinc/99/49/16/632994916.db2.gz ZXXMPRNADVTWIJ-QWHCGFSZSA-N 2 1 293.282 3.377 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccn1 ZINC000866225439 633035358 /nfs/dbraw/zinc/03/53/58/633035358.db2.gz YQORJVCTDWKKGY-MRXNPFEDSA-N 2 1 263.429 3.099 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccn1 ZINC000866225439 633035360 /nfs/dbraw/zinc/03/53/60/633035360.db2.gz YQORJVCTDWKKGY-MRXNPFEDSA-N 2 1 263.429 3.099 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2cc(F)ccc2CC[C@@H]1C ZINC000866251306 633045803 /nfs/dbraw/zinc/04/58/03/633045803.db2.gz RPTVGONGQYAFEP-SJCJKPOMSA-N 2 1 287.382 3.244 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000866282136 633064842 /nfs/dbraw/zinc/06/48/42/633064842.db2.gz MIHICFQUZVRAMM-INMHGKMJSA-N 2 1 275.440 3.241 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000866451710 633140815 /nfs/dbraw/zinc/14/08/15/633140815.db2.gz WJBRMNQTDVEDFA-UIDBIOKJSA-N 2 1 282.472 3.185 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC[N@H+]1C ZINC000866451710 633140820 /nfs/dbraw/zinc/14/08/20/633140820.db2.gz WJBRMNQTDVEDFA-UIDBIOKJSA-N 2 1 282.472 3.185 20 0 CGADMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1cc2ccccc2o1 ZINC000866696954 633232623 /nfs/dbraw/zinc/23/26/23/633232623.db2.gz DUIBZQGAXJURIL-UHFFFAOYSA-N 2 1 258.365 3.007 20 0 CGADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1cc2ccccc2o1 ZINC000866696954 633232626 /nfs/dbraw/zinc/23/26/26/633232626.db2.gz DUIBZQGAXJURIL-UHFFFAOYSA-N 2 1 258.365 3.007 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000866702344 633234344 /nfs/dbraw/zinc/23/43/44/633234344.db2.gz AQMMSICUPQGNEL-INIZCTEOSA-N 2 1 264.388 3.023 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(Cl)n1 ZINC000866708706 633235338 /nfs/dbraw/zinc/23/53/38/633235338.db2.gz NVIILTHUOYYWCV-INIZCTEOSA-N 2 1 295.858 3.240 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(Cl)n1 ZINC000866708706 633235341 /nfs/dbraw/zinc/23/53/41/633235341.db2.gz NVIILTHUOYYWCV-INIZCTEOSA-N 2 1 295.858 3.240 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(Cl)n1 ZINC000866708707 633235961 /nfs/dbraw/zinc/23/59/61/633235961.db2.gz NVIILTHUOYYWCV-MRXNPFEDSA-N 2 1 295.858 3.240 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(Cl)n1 ZINC000866708707 633235966 /nfs/dbraw/zinc/23/59/66/633235966.db2.gz NVIILTHUOYYWCV-MRXNPFEDSA-N 2 1 295.858 3.240 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000866708514 633236037 /nfs/dbraw/zinc/23/60/37/633236037.db2.gz QTPXWOGOZPGIGN-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000866708514 633236038 /nfs/dbraw/zinc/23/60/38/633236038.db2.gz QTPXWOGOZPGIGN-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872027341 633947245 /nfs/dbraw/zinc/94/72/45/633947245.db2.gz KXDWCUFOUFNVHW-TWMKSMIVSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872027341 633947249 /nfs/dbraw/zinc/94/72/49/633947249.db2.gz KXDWCUFOUFNVHW-TWMKSMIVSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872031876 633950670 /nfs/dbraw/zinc/95/06/70/633950670.db2.gz NILOFHRKQLHUBT-VNQPRFMTSA-N 2 1 293.455 3.011 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872074307 633996891 /nfs/dbraw/zinc/99/68/91/633996891.db2.gz ZVPQVOADSDKSNR-OWCLPIDISA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872074307 633996894 /nfs/dbraw/zinc/99/68/94/633996894.db2.gz ZVPQVOADSDKSNR-OWCLPIDISA-N 2 1 284.488 3.290 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000846217870 636161385 /nfs/dbraw/zinc/16/13/85/636161385.db2.gz HNOADOLXAUPOOM-INIZCTEOSA-N 2 1 278.415 3.209 20 0 CGADMP CSc1ccccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000872155358 634066436 /nfs/dbraw/zinc/06/64/36/634066436.db2.gz KTYCMKKFJMRTAS-UHFFFAOYSA-N 2 1 266.454 3.359 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)on1 ZINC000872156685 634067082 /nfs/dbraw/zinc/06/70/82/634067082.db2.gz LEUNYLMMMZFCHO-PBHICJAKSA-N 2 1 291.439 3.103 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834908120 634283106 /nfs/dbraw/zinc/28/31/06/634283106.db2.gz BTRKNKXZXYWMGY-ZDUSSCGKSA-N 2 1 272.502 3.371 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnc(Cl)c1 ZINC000834911631 634285246 /nfs/dbraw/zinc/28/52/46/634285246.db2.gz ZSPCFPUUETZTGR-LBPRGKRZSA-N 2 1 281.831 3.260 20 0 CGADMP CCSCC[C@H](C)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208565 634286556 /nfs/dbraw/zinc/28/65/56/634286556.db2.gz WTKFKMWLWGAIAM-LBPRGKRZSA-N 2 1 298.521 3.357 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@@H]1C(F)(F)F ZINC000873228755 634291259 /nfs/dbraw/zinc/29/12/59/634291259.db2.gz VCLSKWJCVONXNX-MFKMUULPSA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@@H]1C(F)(F)F ZINC000873228755 634291261 /nfs/dbraw/zinc/29/12/61/634291261.db2.gz VCLSKWJCVONXNX-MFKMUULPSA-N 2 1 298.308 3.002 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)SC)C[C@H]1C ZINC000876760094 634894391 /nfs/dbraw/zinc/89/43/91/634894391.db2.gz RZMJHHLDEWETOQ-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)SC)C[C@H]1C ZINC000876760094 634894392 /nfs/dbraw/zinc/89/43/92/634894392.db2.gz RZMJHHLDEWETOQ-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)SC)C[C@H]1C ZINC000876760094 634894396 /nfs/dbraw/zinc/89/43/96/634894396.db2.gz RZMJHHLDEWETOQ-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876897138 634923745 /nfs/dbraw/zinc/92/37/45/634923745.db2.gz QAFNKVOYGDXFEU-VXGBXAGGSA-N 2 1 279.255 3.034 20 0 CGADMP CSC(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000877114845 634988589 /nfs/dbraw/zinc/98/85/89/634988589.db2.gz DWGYPPJBHVTQCR-OAHLLOKOSA-N 2 1 286.529 3.476 20 0 CGADMP CC1(C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCCC1 ZINC000877150047 635002165 /nfs/dbraw/zinc/00/21/65/635002165.db2.gz KXXNIRLRWLMSQK-UHFFFAOYSA-N 2 1 294.483 3.191 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000840809580 635055352 /nfs/dbraw/zinc/05/53/52/635055352.db2.gz TXCNDYZDPIKCJW-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CSC3)CC[N@H+]2C2CC2)cc1 ZINC000877633544 635123855 /nfs/dbraw/zinc/12/38/55/635123855.db2.gz APNGRSIDWGOQRE-PBHICJAKSA-N 2 1 288.460 3.060 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CSC3)CC[N@@H+]2C2CC2)cc1 ZINC000877633544 635123862 /nfs/dbraw/zinc/12/38/62/635123862.db2.gz APNGRSIDWGOQRE-PBHICJAKSA-N 2 1 288.460 3.060 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000877743986 635180273 /nfs/dbraw/zinc/18/02/73/635180273.db2.gz ZDDMHGCZBDJFTM-ZWKOTPCHSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000877743986 635180296 /nfs/dbraw/zinc/18/02/96/635180296.db2.gz ZDDMHGCZBDJFTM-ZWKOTPCHSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000877743986 635180300 /nfs/dbraw/zinc/18/03/00/635180300.db2.gz ZDDMHGCZBDJFTM-ZWKOTPCHSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000877743986 635180305 /nfs/dbraw/zinc/18/03/05/635180305.db2.gz ZDDMHGCZBDJFTM-ZWKOTPCHSA-N 2 1 270.420 3.090 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878047408 635337262 /nfs/dbraw/zinc/33/72/62/635337262.db2.gz GTKMABGIYFQTRA-KRWDZBQOSA-N 2 1 296.499 3.386 20 0 CGADMP CC1(C)CC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)OC1 ZINC000878120480 635366119 /nfs/dbraw/zinc/36/61/19/635366119.db2.gz IOYHSLYDOJDSTO-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000878257153 635436197 /nfs/dbraw/zinc/43/61/97/635436197.db2.gz FNCMZJCSQPPASD-ILXRZTDVSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000878257153 635436199 /nfs/dbraw/zinc/43/61/99/635436199.db2.gz FNCMZJCSQPPASD-ILXRZTDVSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000878257153 635436208 /nfs/dbraw/zinc/43/62/08/635436208.db2.gz FNCMZJCSQPPASD-ILXRZTDVSA-N 2 1 288.426 3.474 20 0 CGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)oc21 ZINC000843112256 635561023 /nfs/dbraw/zinc/56/10/23/635561023.db2.gz FDKNNLWTMHNQJE-ZDUSSCGKSA-N 2 1 288.391 3.002 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573678 635814752 /nfs/dbraw/zinc/81/47/52/635814752.db2.gz PORRWJJMPWNSEB-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1c[nH+]ccc1N ZINC000844922631 635984968 /nfs/dbraw/zinc/98/49/68/635984968.db2.gz BLEJREYMQKBZRD-UWVGGRQHSA-N 2 1 288.222 3.119 20 0 CGADMP C[C@]1(C[NH+]2CCC(C)([NH+]3CCC3)CC2)CC1(Cl)Cl ZINC000880474756 636007813 /nfs/dbraw/zinc/00/78/13/636007813.db2.gz LXAHPKCMQQNAQS-GFCCVEGCSA-N 2 1 291.266 3.131 20 0 CGADMP CC(C)CCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848528767 636590249 /nfs/dbraw/zinc/59/02/49/636590249.db2.gz OETLMACEBWZQGU-KRWDZBQOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C=CCC1 ZINC000883246358 636615121 /nfs/dbraw/zinc/61/51/21/636615121.db2.gz GYVRBASISQNZGN-ZIFCJYIRSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C=CCC1 ZINC000883246358 636615124 /nfs/dbraw/zinc/61/51/24/636615124.db2.gz GYVRBASISQNZGN-ZIFCJYIRSA-N 2 1 284.447 3.453 20 0 CGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996388 636709413 /nfs/dbraw/zinc/70/94/13/636709413.db2.gz RELXDJXOLOSIFF-HZPDHXFCSA-N 2 1 296.503 3.045 20 0 CGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000849062089 636736030 /nfs/dbraw/zinc/73/60/30/636736030.db2.gz FPTAGNDUCTXUHE-HOTGVXAUSA-N 2 1 296.503 3.190 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CC(C)(C)OC1(C)C)CC[NH2+]CC2 ZINC000883433979 636755744 /nfs/dbraw/zinc/75/57/44/636755744.db2.gz DEJNZYJLIAPHFH-LSDHHAIUSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000850381618 637040424 /nfs/dbraw/zinc/04/04/24/637040424.db2.gz HUQZCKUGSORTPI-SOLBZPMBSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000850381618 637040428 /nfs/dbraw/zinc/04/04/28/637040428.db2.gz HUQZCKUGSORTPI-SOLBZPMBSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850424352 637056686 /nfs/dbraw/zinc/05/66/86/637056686.db2.gz JFOUERRDDYFQCH-HUUCEWRRSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850425047 637057097 /nfs/dbraw/zinc/05/70/97/637057097.db2.gz JAYYNQFBVNNOHW-CQSZACIVSA-N 2 1 299.418 3.257 20 0 CGADMP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000850541979 637115059 /nfs/dbraw/zinc/11/50/59/637115059.db2.gz FXDWJTISHNVRFT-BEFAXECRSA-N 2 1 299.462 3.009 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000885946970 637325458 /nfs/dbraw/zinc/32/54/58/637325458.db2.gz WSEHKNKLFOOIPF-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000885946970 637325464 /nfs/dbraw/zinc/32/54/64/637325464.db2.gz WSEHKNKLFOOIPF-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cccnc21 ZINC000886503763 637543634 /nfs/dbraw/zinc/54/36/34/637543634.db2.gz DHOCKTRDCPKIBL-NVXWUHKLSA-N 2 1 287.451 3.313 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])cc1F ZINC000852755806 637707024 /nfs/dbraw/zinc/70/70/24/637707024.db2.gz FZZZOFYKIOSIOZ-INIZCTEOSA-N 2 1 294.414 3.490 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852758981 637708261 /nfs/dbraw/zinc/70/82/61/637708261.db2.gz IHGLDMNODSYLSO-DLBZAZTESA-N 2 1 282.472 3.177 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242039 637792771 /nfs/dbraw/zinc/79/27/71/637792771.db2.gz ZNKVUCLDYBBYKP-YESZJQIVSA-N 2 1 264.457 3.133 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000223089166 637848881 /nfs/dbraw/zinc/84/88/81/637848881.db2.gz MITPPLNPNHKIGT-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000223089166 637848886 /nfs/dbraw/zinc/84/88/86/637848886.db2.gz MITPPLNPNHKIGT-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000924593410 638370807 /nfs/dbraw/zinc/37/08/07/638370807.db2.gz XYEVMSVUOLFGMQ-QGZVFWFLSA-N 2 1 270.420 3.199 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000924618409 638377753 /nfs/dbraw/zinc/37/77/53/638377753.db2.gz ZIRRZXAAYXCUNM-FUHWJXTLSA-N 2 1 289.467 3.113 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[NH+](C)C ZINC000924633232 638380005 /nfs/dbraw/zinc/38/00/05/638380005.db2.gz OZEAFMJPJYMOCI-PQUAAJSLSA-N 2 1 296.499 3.290 20 0 CGADMP C([NH2+][C@H](C1CCC1)C1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000924649534 638383222 /nfs/dbraw/zinc/38/32/22/638383222.db2.gz PGDWLBRTHLINSH-KDOFPFPSSA-N 2 1 276.468 3.419 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924683189 638388929 /nfs/dbraw/zinc/38/89/29/638388929.db2.gz FVIVRQURKSFQES-MHORFTMASA-N 2 1 296.499 3.005 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]C[C@H](C3CCCCC3)[NH+](C)C)C2)CO1 ZINC000924693746 638389628 /nfs/dbraw/zinc/38/96/28/638389628.db2.gz HVNNSAYDBJXLEK-CCGTUFIJSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2[nH]1 ZINC000924699394 638391328 /nfs/dbraw/zinc/39/13/28/638391328.db2.gz SCGRITDLTIFUPF-IMJJTQAJSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924766277 638400653 /nfs/dbraw/zinc/40/06/53/638400653.db2.gz PAJXNCJNHNBHPQ-LCMLCXGQSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924766277 638400657 /nfs/dbraw/zinc/40/06/57/638400657.db2.gz PAJXNCJNHNBHPQ-LCMLCXGQSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010882 638437046 /nfs/dbraw/zinc/43/70/46/638437046.db2.gz ONRIVMZFPIQOKC-HUUCEWRRSA-N 2 1 299.418 3.334 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(-c2ccccc2)no1 ZINC000925010882 638437052 /nfs/dbraw/zinc/43/70/52/638437052.db2.gz ONRIVMZFPIQOKC-HUUCEWRRSA-N 2 1 299.418 3.334 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H](C2CCC2)C2CCCC2)CCOCC1 ZINC000925061649 638445331 /nfs/dbraw/zinc/44/53/31/638445331.db2.gz LGKCRWROQGBSDS-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](N)[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000925576714 638536094 /nfs/dbraw/zinc/53/60/94/638536094.db2.gz YILHVPFYEMDAGS-LTDCPUDJSA-N 2 1 298.430 3.177 20 0 CGADMP Clc1cccc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925589855 638538753 /nfs/dbraw/zinc/53/87/53/638538753.db2.gz BWKTWKFHHCRNLJ-HNNXBMFYSA-N 2 1 278.827 3.147 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)c2ccccc2O1 ZINC000925680760 638566867 /nfs/dbraw/zinc/56/68/67/638566867.db2.gz TXWJCKWFIWRKTD-WDFXUMBOSA-N 2 1 286.419 3.017 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccccc2[nH]1 ZINC000925704398 638572540 /nfs/dbraw/zinc/57/25/40/638572540.db2.gz GNJIWIBAJRGLPA-CYBMUJFWSA-N 2 1 269.392 3.080 20 0 CGADMP C[C@@H]([C@@H]1CCCC[C@H]1C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750800 638596084 /nfs/dbraw/zinc/59/60/84/638596084.db2.gz HRONCYLEKPEONI-FRRDWIJNSA-N 2 1 293.480 3.175 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C2CC2)c1 ZINC000925777469 638609907 /nfs/dbraw/zinc/60/99/07/638609907.db2.gz PDJZJPLRWUMCHV-LRDDRELGSA-N 2 1 294.389 3.459 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000925784466 638611537 /nfs/dbraw/zinc/61/15/37/638611537.db2.gz RXNMDCTXIWHNFF-SWLSCSKDSA-N 2 1 298.352 3.038 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925807716 638619309 /nfs/dbraw/zinc/61/93/09/638619309.db2.gz WTHDKCRUDWCVNY-MCIONIFRSA-N 2 1 261.413 3.002 20 0 CGADMP CCC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccn1 ZINC000925839856 638628555 /nfs/dbraw/zinc/62/85/55/638628555.db2.gz FABCXPAMQAVSEZ-USXIJHARSA-N 2 1 273.424 3.045 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000858490617 638741023 /nfs/dbraw/zinc/74/10/23/638741023.db2.gz KXHIQIGDOJMWIJ-HUUCEWRRSA-N 2 1 288.435 3.004 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2cccc(F)c2)CC1 ZINC000929777282 638949545 /nfs/dbraw/zinc/94/95/45/638949545.db2.gz JNCFZARIWOWOBW-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929777772 638949935 /nfs/dbraw/zinc/94/99/35/638949935.db2.gz COAJNQRFCHQWKL-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929777772 638949937 /nfs/dbraw/zinc/94/99/37/638949937.db2.gz COAJNQRFCHQWKL-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929777772 638949939 /nfs/dbraw/zinc/94/99/39/638949939.db2.gz COAJNQRFCHQWKL-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3CF)CC[C@H]21 ZINC000929846165 638956284 /nfs/dbraw/zinc/95/62/84/638956284.db2.gz HCNPDWDVZAABMO-IAGOWNOFSA-N 2 1 276.399 3.072 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(C3CC3)no2)cc1 ZINC000859213418 639110555 /nfs/dbraw/zinc/11/05/55/639110555.db2.gz WVHXXYRPJMJNMK-UHFFFAOYSA-N 2 1 299.418 3.246 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(C3CC3)no2)cc1 ZINC000859213418 639110558 /nfs/dbraw/zinc/11/05/58/639110558.db2.gz WVHXXYRPJMJNMK-UHFFFAOYSA-N 2 1 299.418 3.246 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](Cc3cccc4cccnc43)C[C@]2(C)C1 ZINC000931305173 639133474 /nfs/dbraw/zinc/13/34/74/639133474.db2.gz BRWLZXRZMUEWDG-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](Cc3cccc4cccnc43)C[C@]2(C)C1 ZINC000931305173 639133477 /nfs/dbraw/zinc/13/34/77/639133477.db2.gz BRWLZXRZMUEWDG-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](Cc3cccc4cccnc43)C[C@]2(C)C1 ZINC000931305173 639133481 /nfs/dbraw/zinc/13/34/81/639133481.db2.gz BRWLZXRZMUEWDG-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](Cc3cccc4cccnc43)C[C@]2(C)C1 ZINC000931305173 639133484 /nfs/dbraw/zinc/13/34/84/639133484.db2.gz BRWLZXRZMUEWDG-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP CCSc1ccccc1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931545446 639168083 /nfs/dbraw/zinc/16/80/83/639168083.db2.gz DWOMEPDXANFDMQ-HOCLYGCPSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000931545446 639168090 /nfs/dbraw/zinc/16/80/90/639168090.db2.gz DWOMEPDXANFDMQ-HOCLYGCPSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000931545446 639168096 /nfs/dbraw/zinc/16/80/96/639168096.db2.gz DWOMEPDXANFDMQ-HOCLYGCPSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931545446 639168102 /nfs/dbraw/zinc/16/81/02/639168102.db2.gz DWOMEPDXANFDMQ-HOCLYGCPSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931545446 639168106 /nfs/dbraw/zinc/16/81/06/639168106.db2.gz DWOMEPDXANFDMQ-HOCLYGCPSA-N 2 1 290.476 3.325 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)COCC1CCCCC1 ZINC000932420850 639328188 /nfs/dbraw/zinc/32/81/88/639328188.db2.gz IPTUOYUMCQLPLG-HNNXBMFYSA-N 2 1 293.455 3.157 20 0 CGADMP C[NH2+]C[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000040601884 639894845 /nfs/dbraw/zinc/89/48/45/639894845.db2.gz VABOEFFITOQVJW-LBPRGKRZSA-N 2 1 289.810 3.324 20 0 CGADMP C[N@@H+](Cc1c(F)cccc1Cl)C1CCC([NH3+])CC1 ZINC000091844580 640722507 /nfs/dbraw/zinc/72/25/07/640722507.db2.gz PLVPSSXCQQPAOA-UHFFFAOYSA-N 2 1 270.779 3.181 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)oc2C)C1 ZINC000093693503 640780263 /nfs/dbraw/zinc/78/02/63/640780263.db2.gz CJDNMXOKNGONLT-OAHLLOKOSA-N 2 1 264.413 3.060 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)oc2C)C1 ZINC000093693503 640780270 /nfs/dbraw/zinc/78/02/70/640780270.db2.gz CJDNMXOKNGONLT-OAHLLOKOSA-N 2 1 264.413 3.060 20 0 CGADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251936639 640836393 /nfs/dbraw/zinc/83/63/93/640836393.db2.gz VTAZZRWNGJWPDD-BLNMRFBMSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cccc2cc[nH+]c(N(CCC[NH3+])C(C)C)c12 ZINC001156123852 805655719 /nfs/dbraw/zinc/65/57/19/805655719.db2.gz CHMINAQDJUJJSA-UHFFFAOYSA-N 2 1 257.381 3.107 20 0 CGADMP C[N@@H+]1CCC[C@H](CCNc2cc(C3CC3)cc[nH+]2)C1 ZINC001156387526 805682864 /nfs/dbraw/zinc/68/28/64/805682864.db2.gz GCUWYGKZGHWASS-CYBMUJFWSA-N 2 1 259.397 3.103 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2cc(C3CC3)cc[nH+]2)C1 ZINC001156387526 805682868 /nfs/dbraw/zinc/68/28/68/805682868.db2.gz GCUWYGKZGHWASS-CYBMUJFWSA-N 2 1 259.397 3.103 20 0 CGADMP COc1ccc(C)[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158264383 805931028 /nfs/dbraw/zinc/93/10/28/805931028.db2.gz BGRKXBNSNUDPPY-DYVFJYSZSA-N 2 1 291.439 3.354 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CCC[C@@](C)(C[NH3+])C3)c2c1 ZINC001158679295 805985529 /nfs/dbraw/zinc/98/55/29/805985529.db2.gz TWKULDBQSICZPB-KRWDZBQOSA-N 2 1 269.392 3.108 20 0 CGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2ccc(C[NH3+])c2)nc1 ZINC001158767276 805999388 /nfs/dbraw/zinc/99/93/88/805999388.db2.gz QKUFWUVKCJRMFT-KRWDZBQOSA-N 2 1 298.434 3.268 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC001253094722 806164801 /nfs/dbraw/zinc/16/48/01/806164801.db2.gz HSVGZGRCWJCUCO-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NCC(C)(C)[NH3+])nc1 ZINC001160032364 806216068 /nfs/dbraw/zinc/21/60/68/806216068.db2.gz TXXFQZDZJOSYQP-HNNXBMFYSA-N 2 1 290.455 3.168 20 0 CGADMP Cc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253409510 806216673 /nfs/dbraw/zinc/21/66/73/806216673.db2.gz VKCQRNNKSIOAAN-OCCSQVGLSA-N 2 1 298.858 3.048 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001254439715 806398485 /nfs/dbraw/zinc/39/84/85/806398485.db2.gz HGKVLHSKQOGEBX-GOEBONIOSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCc3ccccc3CC2)CC1 ZINC001254451059 806405134 /nfs/dbraw/zinc/40/51/34/806405134.db2.gz JIOHESBDPILPMY-KRWDZBQOSA-N 2 1 272.436 3.008 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC1 ZINC001254510975 806431262 /nfs/dbraw/zinc/43/12/62/806431262.db2.gz SOXADSCTNWSVFP-INIZCTEOSA-N 2 1 276.399 3.279 20 0 CGADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)CC1)C2(C)C ZINC001254512573 806432492 /nfs/dbraw/zinc/43/24/92/806432492.db2.gz PAVNAQHHSCKEBR-AALSBFMBSA-N 2 1 264.457 3.131 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001254513568 806435060 /nfs/dbraw/zinc/43/50/60/806435060.db2.gz ZXXLQKVVROPOBT-ZBFHGGJFSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001254513568 806435065 /nfs/dbraw/zinc/43/50/65/806435065.db2.gz ZXXLQKVVROPOBT-ZBFHGGJFSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001254523332 806437813 /nfs/dbraw/zinc/43/78/13/806437813.db2.gz OHJIUQAARUKZSK-MSOLQXFVSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001254523332 806437815 /nfs/dbraw/zinc/43/78/15/806437815.db2.gz OHJIUQAARUKZSK-MSOLQXFVSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001254523332 806437819 /nfs/dbraw/zinc/43/78/19/806437819.db2.gz OHJIUQAARUKZSK-MSOLQXFVSA-N 2 1 272.436 3.350 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001254523614 806438200 /nfs/dbraw/zinc/43/82/00/806438200.db2.gz QETKAXWQIQMZTE-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001254523614 806438201 /nfs/dbraw/zinc/43/82/01/806438201.db2.gz QETKAXWQIQMZTE-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001254523614 806438202 /nfs/dbraw/zinc/43/82/02/806438202.db2.gz QETKAXWQIQMZTE-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP C[N@@H+]([C@H]1CCC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001254522419 806439066 /nfs/dbraw/zinc/43/90/66/806439066.db2.gz FZEZIIUIJWQSIK-LESVLKBLSA-N 2 1 276.468 3.371 20 0 CGADMP C[NH+]([C@H]1CCC[N@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001254522419 806439072 /nfs/dbraw/zinc/43/90/72/806439072.db2.gz FZEZIIUIJWQSIK-LESVLKBLSA-N 2 1 276.468 3.371 20 0 CGADMP C[NH+]([C@H]1CCC[N@@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001254522419 806439076 /nfs/dbraw/zinc/43/90/76/806439076.db2.gz FZEZIIUIJWQSIK-LESVLKBLSA-N 2 1 276.468 3.371 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254525152 806440776 /nfs/dbraw/zinc/44/07/76/806440776.db2.gz GRWUMJPNKPTKGB-HOCLYGCPSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254525152 806440781 /nfs/dbraw/zinc/44/07/81/806440781.db2.gz GRWUMJPNKPTKGB-HOCLYGCPSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254525152 806440789 /nfs/dbraw/zinc/44/07/89/806440789.db2.gz GRWUMJPNKPTKGB-HOCLYGCPSA-N 2 1 276.424 3.172 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001254526138 806442093 /nfs/dbraw/zinc/44/20/93/806442093.db2.gz OJZKJGHRCYDGOY-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001254526138 806442095 /nfs/dbraw/zinc/44/20/95/806442095.db2.gz OJZKJGHRCYDGOY-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001254526138 806442100 /nfs/dbraw/zinc/44/21/00/806442100.db2.gz OJZKJGHRCYDGOY-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP CCc1cc(NC[C@H](C(CC)CC)[NH+](C)C)nc(C)[nH+]1 ZINC001162078641 806503677 /nfs/dbraw/zinc/50/36/77/806503677.db2.gz GLEPNRGWJZSVIR-OAHLLOKOSA-N 2 1 278.444 3.126 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382162 806631068 /nfs/dbraw/zinc/63/10/68/806631068.db2.gz SIUPZYKUJIXARS-PVAVHDDUSA-N 2 1 258.409 3.039 20 0 CGADMP CC[N@@H+](CCOC)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255398944 806633193 /nfs/dbraw/zinc/63/31/93/806633193.db2.gz NBTUPDQCXSDPAJ-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP CC[NH+](CCOC)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255398944 806633195 /nfs/dbraw/zinc/63/31/95/806633195.db2.gz NBTUPDQCXSDPAJ-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP CC[NH+](CCOC)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255398944 806633197 /nfs/dbraw/zinc/63/31/97/806633197.db2.gz NBTUPDQCXSDPAJ-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP CC[N@@H+](CCOC)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255398945 806633367 /nfs/dbraw/zinc/63/33/67/806633367.db2.gz NBTUPDQCXSDPAJ-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP CC[NH+](CCOC)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255398945 806633371 /nfs/dbraw/zinc/63/33/71/806633371.db2.gz NBTUPDQCXSDPAJ-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP CC[NH+](CCOC)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255398945 806633378 /nfs/dbraw/zinc/63/33/78/806633378.db2.gz NBTUPDQCXSDPAJ-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255667797 806700290 /nfs/dbraw/zinc/70/02/90/806700290.db2.gz UCGJGUXEKAWOCM-MGLUKCQKSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255667797 806700296 /nfs/dbraw/zinc/70/02/96/806700296.db2.gz UCGJGUXEKAWOCM-MGLUKCQKSA-N 2 1 252.446 3.416 20 0 CGADMP Cc1noc2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc12 ZINC001255671634 806701179 /nfs/dbraw/zinc/70/11/79/806701179.db2.gz NAYMYQSUWSWUNC-MQVJKMGUSA-N 2 1 299.418 3.241 20 0 CGADMP Cc1cccc(C2(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001255672802 806701669 /nfs/dbraw/zinc/70/16/69/806701669.db2.gz UMTNCLYGBRNVFB-ALOPSCKCSA-N 2 1 299.462 3.027 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000086890114 798945416 /nfs/dbraw/zinc/94/54/16/798945416.db2.gz CJYYRPVLIMWLLV-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000086890114 798945424 /nfs/dbraw/zinc/94/54/24/798945424.db2.gz CJYYRPVLIMWLLV-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255681647 806703749 /nfs/dbraw/zinc/70/37/49/806703749.db2.gz ZNEQJWMBWDMIOS-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255681647 806703755 /nfs/dbraw/zinc/70/37/55/806703755.db2.gz ZNEQJWMBWDMIOS-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255681647 806703758 /nfs/dbraw/zinc/70/37/58/806703758.db2.gz ZNEQJWMBWDMIOS-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255681647 806703763 /nfs/dbraw/zinc/70/37/63/806703763.db2.gz ZNEQJWMBWDMIOS-LSVZVQIISA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C[C@@H]1C[NH3+] ZINC000163385848 799082797 /nfs/dbraw/zinc/08/27/97/799082797.db2.gz AUDZFHDVXWIJIQ-NEPJUHHUSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000300248679 799203820 /nfs/dbraw/zinc/20/38/20/799203820.db2.gz SBWGLZIHUPJMME-TZMCWYRMSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000300248679 799203827 /nfs/dbraw/zinc/20/38/27/799203827.db2.gz SBWGLZIHUPJMME-TZMCWYRMSA-N 2 1 266.816 3.065 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+](C)CCC[NH+](C)C ZINC001255739824 806730645 /nfs/dbraw/zinc/73/06/45/806730645.db2.gz LUHPSHXGGVHBFE-ZDUSSCGKSA-N 2 1 284.444 3.190 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)CCC[NH+](C)C ZINC001255739824 806730649 /nfs/dbraw/zinc/73/06/49/806730649.db2.gz LUHPSHXGGVHBFE-ZDUSSCGKSA-N 2 1 284.444 3.190 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163268904 806734281 /nfs/dbraw/zinc/73/42/81/806734281.db2.gz RCGMBXZPBHDISF-AYBZRNKSSA-N 2 1 299.462 3.395 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001255759947 806739908 /nfs/dbraw/zinc/73/99/08/806739908.db2.gz FFXMNUREWUUWSW-YQQAZPJKSA-N 2 1 292.492 3.405 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001255759947 806739912 /nfs/dbraw/zinc/73/99/12/806739912.db2.gz FFXMNUREWUUWSW-YQQAZPJKSA-N 2 1 292.492 3.405 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC000380772395 799366811 /nfs/dbraw/zinc/36/68/11/799366811.db2.gz CWNNACHCMNKAIQ-GFCCVEGCSA-N 2 1 291.826 3.382 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](Nc2ccc3c([nH+]2)CCC3)[C@@H](C)C1 ZINC001163362985 806747669 /nfs/dbraw/zinc/74/76/69/806747669.db2.gz OYAOHSSTYHKGPW-DZGCQCFKSA-N 2 1 273.424 3.101 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2ccc3c([nH+]2)CCC3)[C@@H](C)C1 ZINC001163362985 806747672 /nfs/dbraw/zinc/74/76/72/806747672.db2.gz OYAOHSSTYHKGPW-DZGCQCFKSA-N 2 1 273.424 3.101 20 0 CGADMP Cc1[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)cc2[nH]ccc21 ZINC001163365683 806748728 /nfs/dbraw/zinc/74/87/28/806748728.db2.gz MHNCFBLZHIRSRL-IUODEOHRSA-N 2 1 286.423 3.402 20 0 CGADMP C[C@@H]1C[C@@H](NC(=[NH2+])C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000397960978 799524238 /nfs/dbraw/zinc/52/42/38/799524238.db2.gz FAGFYVWROBOAIB-UKRRQHHQSA-N 2 1 273.424 3.262 20 0 CGADMP C[C@@H]1C[C@@H](NC(=[NH2+])C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000397960978 799524242 /nfs/dbraw/zinc/52/42/42/799524242.db2.gz FAGFYVWROBOAIB-UKRRQHHQSA-N 2 1 273.424 3.262 20 0 CGADMP CC[C@H]1C[C@@H](C)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000399155300 799535788 /nfs/dbraw/zinc/53/57/88/799535788.db2.gz ZECKXISGYUAZRY-SDKNFDLMSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000403293570 799565352 /nfs/dbraw/zinc/56/53/52/799565352.db2.gz JWJLGEUVDXJVDS-AWEZNQCLSA-N 2 1 282.378 3.028 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421861475 799596750 /nfs/dbraw/zinc/59/67/50/799596750.db2.gz VXDQFZMYFISKLE-NVXWUHKLSA-N 2 1 289.467 3.039 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421861475 799596756 /nfs/dbraw/zinc/59/67/56/799596756.db2.gz VXDQFZMYFISKLE-NVXWUHKLSA-N 2 1 289.467 3.039 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccccc1F)C1CCN(C)CC1 ZINC001255851109 806766837 /nfs/dbraw/zinc/76/68/37/806766837.db2.gz LJKPBBQMBMIODT-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP CO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C12CCC2 ZINC000453065909 799631155 /nfs/dbraw/zinc/63/11/55/799631155.db2.gz VVHDSLMFZRPDNT-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC001255841555 806765017 /nfs/dbraw/zinc/76/50/17/806765017.db2.gz JIDXSRZIUBHWKS-DAYGRLMNSA-N 2 1 292.442 3.465 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001257465298 807170094 /nfs/dbraw/zinc/17/00/94/807170094.db2.gz ZHJRNQSNPAHFEC-OLZOCXBDSA-N 2 1 251.418 3.470 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000690736752 799778841 /nfs/dbraw/zinc/77/88/41/799778841.db2.gz CZMPNNPJXGZEBY-JTQLQIEISA-N 2 1 273.207 3.164 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 ZINC001255878101 806779960 /nfs/dbraw/zinc/77/99/60/806779960.db2.gz AKQHTSODEIGRRG-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 ZINC001255878101 806779967 /nfs/dbraw/zinc/77/99/67/806779967.db2.gz AKQHTSODEIGRRG-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccccc1C(F)(F)F)[NH+](C)C ZINC000697918519 799851174 /nfs/dbraw/zinc/85/11/74/799851174.db2.gz CHUPAMLYGZBTDF-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccccc1C(F)(F)F)[NH+](C)C ZINC000697918517 799851219 /nfs/dbraw/zinc/85/12/19/799851219.db2.gz CHUPAMLYGZBTDF-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001255944346 806791427 /nfs/dbraw/zinc/79/14/27/806791427.db2.gz USIXSEJNOKRUOO-AWEZNQCLSA-N 2 1 266.404 3.344 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(F)c1C ZINC001255946955 806792529 /nfs/dbraw/zinc/79/25/29/806792529.db2.gz LGKVUSZFHSRIAN-ZDUSSCGKSA-N 2 1 266.404 3.344 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC000708782453 799993857 /nfs/dbraw/zinc/99/38/57/799993857.db2.gz RRJLJEZLYXIFLA-GTPINHCMSA-N 2 1 264.457 3.419 20 0 CGADMP C1C[C@H]2CC([N@H+]3CC[C@@H](C4CCCCC4)C3)C[C@@H]1[NH2+]2 ZINC000708834793 799996674 /nfs/dbraw/zinc/99/66/74/799996674.db2.gz FVQGFZNFNSTFSV-VPSFDDGASA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)C ZINC000709146476 800004486 /nfs/dbraw/zinc/00/44/86/800004486.db2.gz AKVJNHAIDGQABZ-JKXDFHQYSA-N 2 1 252.446 3.274 20 0 CGADMP CCC(CC)[NH+]1CCC([NH2+][C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255950437 806795438 /nfs/dbraw/zinc/79/54/38/806795438.db2.gz HIGDZEAGVQNESY-INIZCTEOSA-N 3 1 297.531 3.349 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000709821510 800019973 /nfs/dbraw/zinc/01/99/73/800019973.db2.gz XDNQBONYGJZDEO-DRZSPHRISA-N 2 1 284.325 3.017 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC2(CC2)CC1 ZINC000709970038 800025226 /nfs/dbraw/zinc/02/52/26/800025226.db2.gz XDJNSBRIAZJUKN-HOTGVXAUSA-N 2 1 262.441 3.173 20 0 CGADMP C1CC12CCC([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC000710174652 800030786 /nfs/dbraw/zinc/03/07/86/800030786.db2.gz ZYWWAQBNQSBYNX-QGZVFWFLSA-N 2 1 262.441 3.175 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1sccc1Cl ZINC000710706308 800038381 /nfs/dbraw/zinc/03/83/81/800038381.db2.gz UCXSTILONGLQSB-UHFFFAOYSA-N 2 1 260.834 3.352 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC001255962488 806799651 /nfs/dbraw/zinc/79/96/51/806799651.db2.gz VYNZBXDWEDHVLE-HNNXBMFYSA-N 2 1 278.440 3.247 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC001255962488 806799655 /nfs/dbraw/zinc/79/96/55/806799655.db2.gz VYNZBXDWEDHVLE-HNNXBMFYSA-N 2 1 278.440 3.247 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001255963331 806800572 /nfs/dbraw/zinc/80/05/72/806800572.db2.gz FRTAOOWGMKCVMO-FUHWJXTLSA-N 2 1 289.467 3.209 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001255958547 806801023 /nfs/dbraw/zinc/80/10/23/806801023.db2.gz CQVBBKRSZIZYKI-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001255958547 806801029 /nfs/dbraw/zinc/80/10/29/806801029.db2.gz CQVBBKRSZIZYKI-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP Fc1ccc(SCC[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713137721 800104438 /nfs/dbraw/zinc/10/44/38/800104438.db2.gz ZXVFWQPGSWORBM-UHFFFAOYSA-N 2 1 294.439 3.136 20 0 CGADMP Fc1ccc(SCC[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713137721 800104442 /nfs/dbraw/zinc/10/44/42/800104442.db2.gz ZXVFWQPGSWORBM-UHFFFAOYSA-N 2 1 294.439 3.136 20 0 CGADMP CC(C)C[NH+](CC(O)C[N@H+](CC(C)C)C(C)C)C(C)C ZINC001256010110 806805405 /nfs/dbraw/zinc/80/54/05/806805405.db2.gz QRKIXGUKJBHCON-UHFFFAOYSA-N 2 1 286.504 3.080 20 0 CGADMP CCc1nc(NC2CCC(C)([NH+](C)C)CC2)cc(C)[nH+]1 ZINC000715528839 800137806 /nfs/dbraw/zinc/13/78/06/800137806.db2.gz BACLWUZJBYRJQV-UHFFFAOYSA-N 2 1 276.428 3.022 20 0 CGADMP CCc1cc(NC2CCC(C)([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000715533491 800138906 /nfs/dbraw/zinc/13/89/06/800138906.db2.gz QBVCYAZYVMRIGY-UHFFFAOYSA-N 2 1 276.428 3.022 20 0 CGADMP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1Cl ZINC000715571791 800139651 /nfs/dbraw/zinc/13/96/51/800139651.db2.gz PZJUHKLKEVSFGI-KBPBESRZSA-N 2 1 296.842 3.311 20 0 CGADMP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000717460525 800201886 /nfs/dbraw/zinc/20/18/86/800201886.db2.gz COUPMLQTJSOFJY-NIOBXDJOSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000717464984 800203416 /nfs/dbraw/zinc/20/34/16/800203416.db2.gz MZSNSHHTKGYVIR-WCVJEAGWSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000717566191 800204533 /nfs/dbraw/zinc/20/45/33/800204533.db2.gz XLZGZQYTFQMUGY-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000717566191 800204540 /nfs/dbraw/zinc/20/45/40/800204540.db2.gz XLZGZQYTFQMUGY-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP c1ccc(C2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256075068 806812166 /nfs/dbraw/zinc/81/21/66/806812166.db2.gz CBJVADUFVWENCI-UHFFFAOYSA-N 2 1 284.447 3.493 20 0 CGADMP CCCC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256076150 806812429 /nfs/dbraw/zinc/81/24/29/806812429.db2.gz CAKOPORIHCMLAT-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256107082 806820194 /nfs/dbraw/zinc/82/01/94/806820194.db2.gz SXJULDPDHJGWKL-BPQIPLTHSA-N 2 1 272.436 3.254 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000723696872 800338156 /nfs/dbraw/zinc/33/81/56/800338156.db2.gz ZVLONJWSFNHBJQ-AWEZNQCLSA-N 2 1 254.377 3.011 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000822128029 800459681 /nfs/dbraw/zinc/45/96/81/800459681.db2.gz LSSDBEXQLXNGNH-JKSUJKDBSA-N 2 1 264.388 3.351 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000891551223 800563528 /nfs/dbraw/zinc/56/35/28/800563528.db2.gz XCAUYUAVSVLROS-QGZVFWFLSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H]([NH3+])c1ccn([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256525874 806909598 /nfs/dbraw/zinc/90/95/98/806909598.db2.gz GHFDYMRZBVHACA-VYDXJSESSA-N 2 1 298.434 3.128 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541401 806912715 /nfs/dbraw/zinc/91/27/15/806912715.db2.gz LLCVJAHPCAGXLJ-MAUKXSAKSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541401 806912722 /nfs/dbraw/zinc/91/27/22/806912722.db2.gz LLCVJAHPCAGXLJ-MAUKXSAKSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538897 806912975 /nfs/dbraw/zinc/91/29/75/806912975.db2.gz VOZZMRLTJNYWKI-UTRMSSBJSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538897 806912981 /nfs/dbraw/zinc/91/29/81/806912981.db2.gz VOZZMRLTJNYWKI-UTRMSSBJSA-N 2 1 284.447 3.428 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3ccncc32)CC1 ZINC001256568685 806918189 /nfs/dbraw/zinc/91/81/89/806918189.db2.gz AYNMUQHGXZYOGZ-KRWDZBQOSA-N 2 1 287.451 3.312 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CCC[C@](C)(C[NH3+])CC3)c12 ZINC001164246664 806922834 /nfs/dbraw/zinc/92/28/34/806922834.db2.gz CCALOEPVXPBVJB-SFHVURJKSA-N 2 1 283.419 3.499 20 0 CGADMP F[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256607441 806923425 /nfs/dbraw/zinc/92/34/25/806923425.db2.gz MWOHWDMQRXBXKD-INIZCTEOSA-N 2 1 276.399 3.085 20 0 CGADMP F[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256607441 806923429 /nfs/dbraw/zinc/92/34/29/806923429.db2.gz MWOHWDMQRXBXKD-INIZCTEOSA-N 2 1 276.399 3.085 20 0 CGADMP Cc1cccc(C(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256620280 806928691 /nfs/dbraw/zinc/92/86/91/806928691.db2.gz UXGRFZGIHKCUNW-ALOPSCKCSA-N 2 1 272.436 3.445 20 0 CGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC001116708841 802400539 /nfs/dbraw/zinc/40/05/39/802400539.db2.gz BGHZKEQCXBTKEV-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC001117318855 802463375 /nfs/dbraw/zinc/46/33/75/802463375.db2.gz BTSPXFJWESRYAD-YRGRVCCFSA-N 2 1 293.842 3.185 20 0 CGADMP c1ccc(OCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001117946359 802513672 /nfs/dbraw/zinc/51/36/72/802513672.db2.gz XOVOLHKXNRTJNE-IAGOWNOFSA-N 2 1 288.435 3.062 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC001118122189 802526982 /nfs/dbraw/zinc/52/69/82/802526982.db2.gz QQJRVAHTKMHBTO-RISCZKNCSA-N 2 1 282.815 3.141 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC001118122723 802527308 /nfs/dbraw/zinc/52/73/08/802527308.db2.gz ZRKDJHHYJPONEV-OLZOCXBDSA-N 2 1 260.381 3.390 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263521 802543158 /nfs/dbraw/zinc/54/31/58/802543158.db2.gz ILJZHZSCXRVJBK-ZDUSSCGKSA-N 2 1 294.389 3.491 20 0 CGADMP Cc1nc(C[N@H+](C)CCCC[NH+]2CCCCC2)c(C)s1 ZINC001119270803 802641266 /nfs/dbraw/zinc/64/12/66/802641266.db2.gz PYYWWGRYPJNATN-UHFFFAOYSA-N 2 1 295.496 3.458 20 0 CGADMP Cc1nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(C)s1 ZINC001119270803 802641269 /nfs/dbraw/zinc/64/12/69/802641269.db2.gz PYYWWGRYPJNATN-UHFFFAOYSA-N 2 1 295.496 3.458 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC001119375436 802655932 /nfs/dbraw/zinc/65/59/32/802655932.db2.gz FNIOPGXBEHXNJA-INMHGKMJSA-N 2 1 258.409 3.069 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C12CCC2 ZINC001119631424 802686868 /nfs/dbraw/zinc/68/68/68/802686868.db2.gz UVZUOAJIQHKFDV-LSDHHAIUSA-N 2 1 299.443 3.170 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCCC(F)(F)F)C1 ZINC001119940545 802711037 /nfs/dbraw/zinc/71/10/37/802711037.db2.gz DHPKSIXHZHEAMR-BETUJISGSA-N 2 1 280.378 3.287 20 0 CGADMP c1cc(N2CCCCC23CC[NH2+]CC3)[nH+]c2c1CCCC2 ZINC001165334663 806996829 /nfs/dbraw/zinc/99/68/29/806996829.db2.gz JLJSWXDMBJOBHB-UHFFFAOYSA-N 2 1 285.435 3.073 20 0 CGADMP Cc1cccc(C(=[NH2+])N[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256905457 807007580 /nfs/dbraw/zinc/00/75/80/807007580.db2.gz RPKJZXUMIWMIFP-INIZCTEOSA-N 2 1 285.435 3.317 20 0 CGADMP FC(F)(F)CCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256905885 807007776 /nfs/dbraw/zinc/00/77/76/807007776.db2.gz VNFJVVQKQLVHOJ-LBPRGKRZSA-N 2 1 278.362 3.326 20 0 CGADMP FC(F)(F)CCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256905885 807007783 /nfs/dbraw/zinc/00/77/83/807007783.db2.gz VNFJVVQKQLVHOJ-LBPRGKRZSA-N 2 1 278.362 3.326 20 0 CGADMP c1ccc(CCC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)nc1 ZINC001256901254 807002914 /nfs/dbraw/zinc/00/29/14/807002914.db2.gz GABKHFGGLFDNQI-QGZVFWFLSA-N 2 1 287.451 3.011 20 0 CGADMP c1ccc(CCC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)nc1 ZINC001256901254 807002919 /nfs/dbraw/zinc/00/29/19/807002919.db2.gz GABKHFGGLFDNQI-QGZVFWFLSA-N 2 1 287.451 3.011 20 0 CGADMP COc1cc(C)[nH+]cc1-c1cccc(OCC[NH+](C)C)c1 ZINC001243751863 802983368 /nfs/dbraw/zinc/98/33/68/802983368.db2.gz MJLJJOMDWFPCLU-UHFFFAOYSA-N 2 1 286.375 3.006 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)C[C@@H]2CC2(C)C)CCCC1 ZINC001208185555 813735752 /nfs/dbraw/zinc/73/57/52/813735752.db2.gz FSKZCWXSUBXQIB-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccc2nc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)ccc2c1 ZINC001137217025 803698575 /nfs/dbraw/zinc/69/85/75/803698575.db2.gz HDRRQYAYBLMCKL-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2nc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC001137217025 803698578 /nfs/dbraw/zinc/69/85/78/803698578.db2.gz HDRRQYAYBLMCKL-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001137217025 803698580 /nfs/dbraw/zinc/69/85/80/803698580.db2.gz HDRRQYAYBLMCKL-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001137217025 803698581 /nfs/dbraw/zinc/69/85/81/803698581.db2.gz HDRRQYAYBLMCKL-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc(F)nc1 ZINC001137742634 803765706 /nfs/dbraw/zinc/76/57/06/803765706.db2.gz BIQRKJBLMVGXQR-UHFFFAOYSA-N 2 1 296.349 3.038 20 0 CGADMP CN(Cc1ccc(-n2ccnc2)cc1)Cc1ccc(F)nc1 ZINC001137742634 803765714 /nfs/dbraw/zinc/76/57/14/803765714.db2.gz BIQRKJBLMVGXQR-UHFFFAOYSA-N 2 1 296.349 3.038 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)cc1 ZINC001138544687 803963435 /nfs/dbraw/zinc/96/34/35/803963435.db2.gz MSYZWBAGRARCSL-KRWDZBQOSA-N 2 1 287.382 3.362 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@](C)(CF)C2)cc1 ZINC001138544687 803963439 /nfs/dbraw/zinc/96/34/39/803963439.db2.gz MSYZWBAGRARCSL-KRWDZBQOSA-N 2 1 287.382 3.362 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4occc4c3)C[C@H]2C1 ZINC001138825975 804051858 /nfs/dbraw/zinc/05/18/58/804051858.db2.gz KTMIQHWIDNORQF-IAGOWNOFSA-N 2 1 284.403 3.206 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC001246070832 804108685 /nfs/dbraw/zinc/10/86/85/804108685.db2.gz GDLLZEBIVNKHQI-HOTGVXAUSA-N 2 1 264.388 3.226 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2ccccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246070535 804108813 /nfs/dbraw/zinc/10/88/13/804108813.db2.gz CJEWLESMHYKAGF-HUUCEWRRSA-N 2 1 276.424 3.094 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC001246070659 804109080 /nfs/dbraw/zinc/10/90/80/804109080.db2.gz DGDYPCLFCDJQHU-LSDHHAIUSA-N 2 1 264.388 3.226 20 0 CGADMP Fc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246072633 804110233 /nfs/dbraw/zinc/11/02/33/804110233.db2.gz QDWPVCVCZKOTCF-QZTJIDSGSA-N 2 1 298.405 3.279 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC001246084746 804120628 /nfs/dbraw/zinc/12/06/28/804120628.db2.gz GNONAUUYULBZMK-DOMZBBRYSA-N 2 1 284.806 3.345 20 0 CGADMP CCCCC[C@H](CCC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246089969 804122148 /nfs/dbraw/zinc/12/21/48/804122148.db2.gz UDKJOLOTSXDGKN-KRWDZBQOSA-N 2 1 283.504 3.010 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246094106 804126843 /nfs/dbraw/zinc/12/68/43/804126843.db2.gz HDMSYLIIZMCRHA-ZIAGYGMSSA-N 2 1 282.378 3.365 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246098003 804129622 /nfs/dbraw/zinc/12/96/22/804129622.db2.gz QVDXAFHNDZEPTJ-CJNGLKHVSA-N 2 1 296.480 3.412 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246101349 804133731 /nfs/dbraw/zinc/13/37/31/804133731.db2.gz KKSOAQSSMNXYFD-NRSFXHEJSA-N 2 1 272.436 3.300 20 0 CGADMP Cn1ccc2c1cccc2C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001139162161 804145857 /nfs/dbraw/zinc/14/58/57/804145857.db2.gz OHUBWGBNDGDGHL-UHFFFAOYSA-N 2 1 297.446 3.237 20 0 CGADMP Cn1ccc2c1cccc2C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001139162161 804145860 /nfs/dbraw/zinc/14/58/60/804145860.db2.gz OHUBWGBNDGDGHL-UHFFFAOYSA-N 2 1 297.446 3.237 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246119081 804151380 /nfs/dbraw/zinc/15/13/80/804151380.db2.gz UWMSTLWXJYOBSX-GDBMZVCRSA-N 2 1 264.457 3.467 20 0 CGADMP Clc1ccc(C2CCC([NH2+][C@]34C[C@H]3C[NH2+]C4)CC2)cc1 ZINC001246132048 804157891 /nfs/dbraw/zinc/15/78/91/804157891.db2.gz CJYSHISMCRDNSJ-VLVHBFOGSA-N 2 1 290.838 3.318 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159940 804175347 /nfs/dbraw/zinc/17/53/47/804175347.db2.gz LPRIHQYIEORHHC-WNRNVDISSA-N 2 1 296.499 3.338 20 0 CGADMP CCCCCC[C@@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160399 804176923 /nfs/dbraw/zinc/17/69/23/804176923.db2.gz MIFVUDXKNOMHFL-IXDOHACOSA-N 2 1 282.472 3.236 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)C[C@H](CC)[NH2+]1 ZINC001246161297 804177458 /nfs/dbraw/zinc/17/74/58/804177458.db2.gz IXGIRTOJHXSVMK-BCDXTJNWSA-N 3 1 295.515 3.007 20 0 CGADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246168629 804182811 /nfs/dbraw/zinc/18/28/11/804182811.db2.gz YXRSQFBYHXXRGJ-NVXWUHKLSA-N 2 1 289.467 3.009 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246166775 804183078 /nfs/dbraw/zinc/18/30/78/804183078.db2.gz CBEWSCPEABPBHI-ROUUACIJSA-N 2 1 274.452 3.376 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246169389 804183899 /nfs/dbraw/zinc/18/38/99/804183899.db2.gz NGIFKKJOSLNDIQ-IRXDYDNUSA-N 2 1 260.425 3.130 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246175188 804189367 /nfs/dbraw/zinc/18/93/67/804189367.db2.gz HLSGSFXUUYOWPS-VQFNDLOPSA-N 3 1 295.515 3.279 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246175188 804189373 /nfs/dbraw/zinc/18/93/73/804189373.db2.gz HLSGSFXUUYOWPS-VQFNDLOPSA-N 3 1 295.515 3.279 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175909 804191297 /nfs/dbraw/zinc/19/12/97/804191297.db2.gz IVTZRNWFCAUYOC-FUHWJXTLSA-N 3 1 295.515 3.281 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175909 804191300 /nfs/dbraw/zinc/19/13/00/804191300.db2.gz IVTZRNWFCAUYOC-FUHWJXTLSA-N 3 1 295.515 3.281 20 0 CGADMP CCCC[C@H]1C[C@@H](NCCC[N@@H+](C)CCCC)CC[NH2+]1 ZINC001246185312 804196598 /nfs/dbraw/zinc/19/65/98/804196598.db2.gz UBZXTCNBCSBXMI-IRXDYDNUSA-N 3 1 283.504 3.009 20 0 CGADMP CC[C@@H]1CC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C[C@@H](CC)[NH2+]1 ZINC001246186046 804196945 /nfs/dbraw/zinc/19/69/45/804196945.db2.gz HIDSADOKKQDJER-HUUCEWRRSA-N 3 1 295.515 3.276 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCSCc2ccccc2Cl)CN1 ZINC001246205494 804206742 /nfs/dbraw/zinc/20/67/42/804206742.db2.gz ULYODTBLOBCVEM-OCCSQVGLSA-N 2 1 298.883 3.303 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCSCc2ccccc2Cl)C[NH2+]1 ZINC001246205494 804206749 /nfs/dbraw/zinc/20/67/49/804206749.db2.gz ULYODTBLOBCVEM-OCCSQVGLSA-N 2 1 298.883 3.303 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[NH2+]CC3([NH3+])CC3)ccc2c1 ZINC001246208797 804208275 /nfs/dbraw/zinc/20/82/75/804208275.db2.gz DYDZAITZBMQCOO-AWEZNQCLSA-N 2 1 298.430 3.250 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246235917 804228764 /nfs/dbraw/zinc/22/87/64/804228764.db2.gz TWJLDBZQXQPECI-MXASKKJJSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)c2ccccc12 ZINC001246258539 804242565 /nfs/dbraw/zinc/24/25/65/804242565.db2.gz XZYXLRWQHZBZTP-INIZCTEOSA-N 2 1 268.404 3.380 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2OC)CC[NH2+]1 ZINC001246268805 804248390 /nfs/dbraw/zinc/24/83/90/804248390.db2.gz ZSVWWOOSBGLVLS-HOTGVXAUSA-N 2 1 294.414 3.235 20 0 CGADMP [NH3+]CC1([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCCC1 ZINC001246290361 804261538 /nfs/dbraw/zinc/26/15/38/804261538.db2.gz WWPFGIDVONNQIT-HNNXBMFYSA-N 2 1 278.827 3.058 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]C1(c2cccc(Br)c2)CC1 ZINC001246297178 804265135 /nfs/dbraw/zinc/26/51/35/804265135.db2.gz VDIWSSKSRHJRRR-NSHDSACASA-N 2 1 297.240 3.026 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246299639 804266798 /nfs/dbraw/zinc/26/67/98/804266798.db2.gz IYNFEAQLJSXFJK-FZMZJTMJSA-N 2 1 298.352 3.425 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccc(OC)c1 ZINC001246318687 804279230 /nfs/dbraw/zinc/27/92/30/804279230.db2.gz BHFOLQPIJIFQOD-BEFAXECRSA-N 2 1 298.430 3.372 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2ccc(F)c(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246319940 804279623 /nfs/dbraw/zinc/27/96/23/804279623.db2.gz XKYGGNGLUUGYHE-KBPBESRZSA-N 2 1 294.414 3.233 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246329184 804283651 /nfs/dbraw/zinc/28/36/51/804283651.db2.gz MCBIDWOZIHZXEV-RWSFTLGLSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246333172 804287367 /nfs/dbraw/zinc/28/73/67/804287367.db2.gz UWMSTLWXJYOBSX-HOCLYGCPSA-N 2 1 264.457 3.467 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC001246333588 804287420 /nfs/dbraw/zinc/28/74/20/804287420.db2.gz WBMXKCYCIQQZAV-PPWQZUPISA-N 2 1 252.446 3.179 20 0 CGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001246331935 804287470 /nfs/dbraw/zinc/28/74/70/804287470.db2.gz OXRIGCHFZNCFOK-XJKSGUPXSA-N 2 1 292.854 3.175 20 0 CGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246332598 804288268 /nfs/dbraw/zinc/28/82/68/804288268.db2.gz QJQIZUGBBQAKNY-BRWVUGGUSA-N 2 1 272.436 3.300 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246343715 804296741 /nfs/dbraw/zinc/29/67/41/804296741.db2.gz HFWVIIVZVNDBSV-WFASDCNBSA-N 2 1 280.843 3.160 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246349116 804297600 /nfs/dbraw/zinc/29/76/00/804297600.db2.gz WRNJTROLQYYMGS-FZMZJTMJSA-N 2 1 268.832 3.234 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246347546 804297682 /nfs/dbraw/zinc/29/76/82/804297682.db2.gz PRVACJNPXQCMLW-WNRNVDISSA-N 2 1 272.436 3.270 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2F)C[C@H](CC)[NH2+]1 ZINC001246355248 804300943 /nfs/dbraw/zinc/30/09/43/804300943.db2.gz YSBOUVMGDHVRLB-FICVDOATSA-N 2 1 294.414 3.233 20 0 CGADMP CCc1cc2c(cc1CC)CC([NH2+][C@@H]1CCCC[NH2+]C1)C2 ZINC001246379517 804313825 /nfs/dbraw/zinc/31/38/25/804313825.db2.gz PPKFGMYSOXVARL-GOSISDBHSA-N 2 1 286.463 3.010 20 0 CGADMP FC(F)(F)c1cccc(CC2([NH2+][C@@H]3CC[NH2+]C3)CCC2)c1 ZINC001246391600 804318274 /nfs/dbraw/zinc/31/82/74/804318274.db2.gz NNBGUWKYECMKEG-CQSZACIVSA-N 2 1 298.352 3.122 20 0 CGADMP CC[C@]1([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC[NH2+]C1 ZINC001246456472 804338219 /nfs/dbraw/zinc/33/82/19/804338219.db2.gz AYMDFMCDOJLDGB-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246489233 804357725 /nfs/dbraw/zinc/35/77/25/804357725.db2.gz PDAXLISJFXHIFF-UONOGXRCSA-N 2 1 274.399 3.346 20 0 CGADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246496508 804360585 /nfs/dbraw/zinc/36/05/85/804360585.db2.gz JPYLDVYJDBOQQX-RDJZCZTQSA-N 2 1 258.409 3.186 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC001246514510 804369234 /nfs/dbraw/zinc/36/92/34/804369234.db2.gz QRFVGWJZERSPGQ-YOOVYSLHSA-N 2 1 292.810 3.036 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246523010 804375752 /nfs/dbraw/zinc/37/57/52/804375752.db2.gz VRRTWDIHEKQHPZ-KRWDZBQOSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246528752 804381979 /nfs/dbraw/zinc/38/19/79/804381979.db2.gz HVSORFLFZYJCCI-XJKSGUPXSA-N 2 1 296.480 3.493 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CCO[C@H](CC[NH3+])C2)CC1 ZINC001246535414 804386796 /nfs/dbraw/zinc/38/67/96/804386796.db2.gz KYERFYZJNZOILZ-UYSNPLJNSA-N 2 1 282.472 3.031 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246538815 804388705 /nfs/dbraw/zinc/38/87/05/804388705.db2.gz OFMFDEBGURHIQK-DJIMGWMZSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246545643 804392563 /nfs/dbraw/zinc/39/25/63/804392563.db2.gz HJEWACCTQRPVLP-MJGOQNOKSA-N 2 1 284.447 3.275 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544897 804393236 /nfs/dbraw/zinc/39/32/36/804393236.db2.gz HVUZOCCBWLEUKJ-MSOLQXFVSA-N 2 1 274.452 3.457 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH+]3CCCCCC3)CC[NH2+]2)cc1 ZINC001246547712 804395459 /nfs/dbraw/zinc/39/54/59/804395459.db2.gz MKXCDPVFUVXFAC-SJORKVTESA-N 2 1 258.409 3.356 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246547378 804396362 /nfs/dbraw/zinc/39/63/62/804396362.db2.gz HYOHQKGEZHXLOD-HUUCEWRRSA-N 2 1 256.409 3.274 20 0 CGADMP c1ccc([C@@H]2CCCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246549299 804397244 /nfs/dbraw/zinc/39/72/44/804397244.db2.gz JKKRNGJMAHPLRO-IRXDYDNUSA-N 2 1 258.409 3.356 20 0 CGADMP c1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246549299 804397253 /nfs/dbraw/zinc/39/72/53/804397253.db2.gz JKKRNGJMAHPLRO-IRXDYDNUSA-N 2 1 258.409 3.356 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246550836 804400664 /nfs/dbraw/zinc/40/06/64/804400664.db2.gz ONCUZUNAIBQVPS-CJNGLKHVSA-N 2 1 298.833 3.424 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246552063 804402823 /nfs/dbraw/zinc/40/28/23/804402823.db2.gz NQUGZEIXQGPNRA-IRXDYDNUSA-N 2 1 292.854 3.401 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246553469 804403930 /nfs/dbraw/zinc/40/39/30/804403930.db2.gz YDGUNDHNBSGCPN-CJNGLKHVSA-N 2 1 298.833 3.424 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246554489 804403937 /nfs/dbraw/zinc/40/39/37/804403937.db2.gz VJUMAYQGOGWXOT-PBHICJAKSA-N 2 1 292.854 3.401 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C[C@@H](C)C1 ZINC001246554581 804404065 /nfs/dbraw/zinc/40/40/65/804404065.db2.gz BLZNPGDUTYFEFQ-XFIYOXNOSA-N 2 1 252.446 3.118 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246554528 804404581 /nfs/dbraw/zinc/40/45/81/804404581.db2.gz VZJGPHFCKHJTGC-RDBSUJKOSA-N 2 1 296.455 3.223 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246554066 804404881 /nfs/dbraw/zinc/40/48/81/804404881.db2.gz AYMCFJPGQJQBCM-BZSNNMDCSA-N 2 1 272.436 3.253 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001246557239 804405844 /nfs/dbraw/zinc/40/58/44/804405844.db2.gz GSDMGZRPXVYJJN-GJZGRUSLSA-N 2 1 278.465 3.289 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001246557239 804405845 /nfs/dbraw/zinc/40/58/45/804405845.db2.gz GSDMGZRPXVYJJN-GJZGRUSLSA-N 2 1 278.465 3.289 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC001246558723 804408754 /nfs/dbraw/zinc/40/87/54/804408754.db2.gz MVFBPJZEWCHLOS-KRWDZBQOSA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246561803 804409246 /nfs/dbraw/zinc/40/92/46/804409246.db2.gz GIDAEVJDSWWZAQ-USXIJHARSA-N 2 1 260.425 3.067 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001246560543 804410203 /nfs/dbraw/zinc/41/02/03/804410203.db2.gz VMNBQPSSVTZQDR-GOEBONIOSA-N 2 1 296.405 3.232 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246563242 804412108 /nfs/dbraw/zinc/41/21/08/804412108.db2.gz CKINNHWLFUJBJD-BPQIPLTHSA-N 2 1 274.452 3.315 20 0 CGADMP CCCOC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246565027 804413859 /nfs/dbraw/zinc/41/38/59/804413859.db2.gz ZZBVYQMYMDQIDH-NUWOQIAWSA-N 2 1 282.472 3.031 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCC[C@](C)(F)CC2)CC[NH2+]1 ZINC001246563779 804414301 /nfs/dbraw/zinc/41/43/01/804414301.db2.gz BYJILGJRWJIIOR-FMKPAKJESA-N 2 1 270.436 3.367 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246568674 804415260 /nfs/dbraw/zinc/41/52/60/804415260.db2.gz ASXNQGGFEAUHLC-CABCVRRESA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246568674 804415265 /nfs/dbraw/zinc/41/52/65/804415265.db2.gz ASXNQGGFEAUHLC-CABCVRRESA-N 2 1 258.425 3.497 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246572450 804418680 /nfs/dbraw/zinc/41/86/80/804418680.db2.gz HALOFLNIGNATEO-RBSFLKMASA-N 2 1 256.409 3.121 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246572450 804418682 /nfs/dbraw/zinc/41/86/82/804418682.db2.gz HALOFLNIGNATEO-RBSFLKMASA-N 2 1 256.409 3.121 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001246572059 804419239 /nfs/dbraw/zinc/41/92/39/804419239.db2.gz CWMAXFJNFYEJTE-RDJZCZTQSA-N 2 1 290.476 3.154 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001246578375 804424984 /nfs/dbraw/zinc/42/49/84/804424984.db2.gz BKVOKKGHHCXCHR-LJQANCHMSA-N 2 1 286.463 3.385 20 0 CGADMP CN1CCC([N@@H+](C)Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140377874 804425074 /nfs/dbraw/zinc/42/50/74/804425074.db2.gz WWPDAAJEXXPSCO-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584829 804427521 /nfs/dbraw/zinc/42/75/21/804427521.db2.gz VBPUUXDCGBMXIQ-NXHRZFHOSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246591726 804433083 /nfs/dbraw/zinc/43/30/83/804433083.db2.gz NPAKAPNKTWYPLI-JHJVBQTASA-N 2 1 298.833 3.469 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246593345 804435552 /nfs/dbraw/zinc/43/55/52/804435552.db2.gz MECBADNIJMQYQF-YESZJQIVSA-N 2 1 284.488 3.433 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246597562 804437432 /nfs/dbraw/zinc/43/74/32/804437432.db2.gz XMQMCJGZYDWXLZ-KBPBESRZSA-N 2 1 296.455 3.367 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C[C@@H](C)C1 ZINC001246606248 804441515 /nfs/dbraw/zinc/44/15/15/804441515.db2.gz DJDFKLRVHHASLF-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C1 ZINC001246605465 804442321 /nfs/dbraw/zinc/44/23/21/804442321.db2.gz JWAOYGOTJWRMCS-HOCLYGCPSA-N 2 1 250.430 3.173 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@]3(CC[NH2+]3)C1)C2 ZINC001246607361 804442718 /nfs/dbraw/zinc/44/27/18/804442718.db2.gz DGAXREPLZJNGPC-SJORKVTESA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CC[NH2+]3)C1)C2 ZINC001246607361 804442725 /nfs/dbraw/zinc/44/27/25/804442725.db2.gz DGAXREPLZJNGPC-SJORKVTESA-N 2 1 290.838 3.025 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246610805 804444723 /nfs/dbraw/zinc/44/47/23/804444723.db2.gz NZYIRCSNJFBDAR-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246614335 804448965 /nfs/dbraw/zinc/44/89/65/804448965.db2.gz RUDCLFWYTSCZCX-GDBMZVCRSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246623552 804454976 /nfs/dbraw/zinc/45/49/76/804454976.db2.gz AIAFJNRHPACYNW-BMFZPTHFSA-N 2 1 292.854 3.202 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246622250 804455282 /nfs/dbraw/zinc/45/52/82/804455282.db2.gz QIQUYVADRXSXOO-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)C2)cc1 ZINC001246631874 804462494 /nfs/dbraw/zinc/46/24/94/804462494.db2.gz UALHDKOMPQBZKS-XLAORIBOSA-N 2 1 270.420 3.007 20 0 CGADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1O ZINC001140578821 804465340 /nfs/dbraw/zinc/46/53/40/804465340.db2.gz BJFSFIQWOKNPDF-UHFFFAOYSA-N 2 1 290.451 3.253 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246634966 804465377 /nfs/dbraw/zinc/46/53/77/804465377.db2.gz INYCYUHWBGBSSF-XUJLQICISA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246634966 804465382 /nfs/dbraw/zinc/46/53/82/804465382.db2.gz INYCYUHWBGBSSF-XUJLQICISA-N 2 1 250.430 3.029 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246637242 804466288 /nfs/dbraw/zinc/46/62/88/804466288.db2.gz MRDIPYFZQKGYFC-SJORKVTESA-N 2 1 282.472 3.047 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CC(C)(C)C1 ZINC001246641402 804468604 /nfs/dbraw/zinc/46/86/04/804468604.db2.gz YXPMJDGKUFFVMI-LSDHHAIUSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@@H]1CC([NH+]2CCC3(CC3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246641694 804468788 /nfs/dbraw/zinc/46/87/88/804468788.db2.gz KIDIIWRLGBDZCX-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648529 804475976 /nfs/dbraw/zinc/47/59/76/804475976.db2.gz ZEFVAUUABFOVCE-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246648529 804475978 /nfs/dbraw/zinc/47/59/78/804475978.db2.gz ZEFVAUUABFOVCE-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1csc3ccccc13)C2 ZINC001140639067 804480071 /nfs/dbraw/zinc/48/00/71/804480071.db2.gz IPSFVZXUSBCUIR-RHSMWYFYSA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1csc3ccccc13)C2 ZINC001140639067 804480074 /nfs/dbraw/zinc/48/00/74/804480074.db2.gz IPSFVZXUSBCUIR-RHSMWYFYSA-N 2 1 286.444 3.285 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246659245 804483339 /nfs/dbraw/zinc/48/33/39/804483339.db2.gz WQBPAYNDYHBCIF-BPKGMFCQSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246659245 804483341 /nfs/dbraw/zinc/48/33/41/804483341.db2.gz WQBPAYNDYHBCIF-BPKGMFCQSA-N 2 1 264.457 3.418 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3C[C@H]4CC[NH2+]C[C@H]43)C2)cc1 ZINC001246662430 804485051 /nfs/dbraw/zinc/48/50/51/804485051.db2.gz JAKIDKYEMLFXSZ-BSDSXHPESA-N 2 1 270.420 3.007 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246663510 804487048 /nfs/dbraw/zinc/48/70/48/804487048.db2.gz VNWDSXGNALUEMP-QRVBRYPASA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001246667782 804488142 /nfs/dbraw/zinc/48/81/42/804488142.db2.gz VHMHUBSWSGHILI-KBAYOESNSA-N 2 1 272.436 3.129 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001246668603 804488279 /nfs/dbraw/zinc/48/82/79/804488279.db2.gz ZOUVJFJOPNIUIB-CVSAEHQPSA-N 2 1 250.430 3.028 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)C2)cc1 ZINC001246669898 804488701 /nfs/dbraw/zinc/48/87/01/804488701.db2.gz CLXLYEATZTUGLU-OWSLCNJRSA-N 2 1 270.420 3.007 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246675892 804490628 /nfs/dbraw/zinc/49/06/28/804490628.db2.gz YVJKZBVXSAVLCU-JQHSSLGASA-N 2 1 272.436 3.038 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC001246678608 804492492 /nfs/dbraw/zinc/49/24/92/804492492.db2.gz YEIXKJNCVZPCNP-VLOYRQLPSA-N 2 1 284.447 3.082 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)Cc2ccc(OC)cc2)C[C@@H](CC)[NH2+]1 ZINC001246685768 804495475 /nfs/dbraw/zinc/49/54/75/804495475.db2.gz BRTKAAOFYUHDGF-HZPDHXFCSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@H]1CC([N@@H+]2CCc3sccc3C2)C[C@H](CC)[NH2+]1 ZINC001246682984 804495571 /nfs/dbraw/zinc/49/55/71/804495571.db2.gz PIYDCNUWQNMJFJ-KBPBESRZSA-N 2 1 278.465 3.415 20 0 CGADMP CC[C@H]1CC([N@H+]2CCc3sccc3C2)C[C@H](CC)[NH2+]1 ZINC001246682984 804495575 /nfs/dbraw/zinc/49/55/75/804495575.db2.gz PIYDCNUWQNMJFJ-KBPBESRZSA-N 2 1 278.465 3.415 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246690643 804497329 /nfs/dbraw/zinc/49/73/29/804497329.db2.gz KYBIPEPOZMBTIR-CVEARBPZSA-N 2 1 268.420 3.123 20 0 CGADMP CC[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246690013 804497585 /nfs/dbraw/zinc/49/75/85/804497585.db2.gz RWTRJSQKWJVOME-BHYGNILZSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692216 804498714 /nfs/dbraw/zinc/49/87/14/804498714.db2.gz NBFNJSNSPUMTGC-YHUYYLMFSA-N 2 1 270.436 3.225 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246697071 804499946 /nfs/dbraw/zinc/49/99/46/804499946.db2.gz SVHADMHNBBEYFV-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246771284 804504563 /nfs/dbraw/zinc/50/45/63/804504563.db2.gz XWIZBVUERVJOOD-NVXWUHKLSA-N 2 1 260.425 3.429 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779674 804507702 /nfs/dbraw/zinc/50/77/02/804507702.db2.gz SWXKUPJMZYJPMQ-KURKYZTESA-N 2 1 272.436 3.397 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246781180 804508405 /nfs/dbraw/zinc/50/84/05/804508405.db2.gz NRFLMLLRBIOLAJ-WFFDWFOESA-N 2 1 270.420 3.415 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779673 804508666 /nfs/dbraw/zinc/50/86/66/804508666.db2.gz SWXKUPJMZYJPMQ-KSZLIROESA-N 2 1 272.436 3.397 20 0 CGADMP COc1ccc(C2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246787375 804511932 /nfs/dbraw/zinc/51/19/32/804511932.db2.gz PMYGNLKVGGAARB-KRWDZBQOSA-N 2 1 288.435 3.017 20 0 CGADMP COCC[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246785184 804512019 /nfs/dbraw/zinc/51/20/19/804512019.db2.gz JSXJZDVCNQGECO-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+]([C@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246790442 804513579 /nfs/dbraw/zinc/51/35/79/804513579.db2.gz FZKGWNFQCNDKPK-MSOLQXFVSA-N 2 1 284.447 3.226 20 0 CGADMP CC[NH2+]C1CC[NH+]([C@H](C)CSc2ccc(F)cc2)CC1 ZINC001246802205 804523047 /nfs/dbraw/zinc/52/30/47/804523047.db2.gz IUCUSZDKOHTMLX-CYBMUJFWSA-N 2 1 296.455 3.380 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246801932 804523509 /nfs/dbraw/zinc/52/35/09/804523509.db2.gz URRJRZHLGYQOTQ-BRWVUGGUSA-N 2 1 276.399 3.493 20 0 CGADMP C[N@H+](CCc1cccs1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807110 804524288 /nfs/dbraw/zinc/52/42/88/804524288.db2.gz MIDLNSIZNMRVFY-UHFFFAOYSA-N 2 1 271.389 3.299 20 0 CGADMP C[N@@H+](CCc1cccs1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807110 804524291 /nfs/dbraw/zinc/52/42/91/804524291.db2.gz MIDLNSIZNMRVFY-UHFFFAOYSA-N 2 1 271.389 3.299 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001140803761 804524897 /nfs/dbraw/zinc/52/48/97/804524897.db2.gz VQGHFNSZDBAOFH-MRXNPFEDSA-N 2 1 298.434 3.013 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC001246810095 804526827 /nfs/dbraw/zinc/52/68/27/804526827.db2.gz MOOYGQSSKJHJHS-IHRRRGAJSA-N 2 1 278.827 3.270 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@H](C)C1 ZINC001246808980 804527070 /nfs/dbraw/zinc/52/70/70/804527070.db2.gz FLGDJVANQBEYER-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)C[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246811838 804528059 /nfs/dbraw/zinc/52/80/59/804528059.db2.gz XTYGRTGBVXUPAP-DGXTUMSLSA-N 2 1 252.446 3.416 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246814456 804529717 /nfs/dbraw/zinc/52/97/17/804529717.db2.gz PJIRQJSLLIJRTD-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246814110 804529759 /nfs/dbraw/zinc/52/97/59/804529759.db2.gz NMSUZWIYBUORHB-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1c[nH]c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001140860317 804535451 /nfs/dbraw/zinc/53/54/51/804535451.db2.gz POWQAUOODWETBX-KRWDZBQOSA-N 2 1 289.467 3.472 20 0 CGADMP Cc1c[nH]c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001140860317 804535457 /nfs/dbraw/zinc/53/54/57/804535457.db2.gz POWQAUOODWETBX-KRWDZBQOSA-N 2 1 289.467 3.472 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH2+]CC2)cc1 ZINC001246820029 804535489 /nfs/dbraw/zinc/53/54/89/804535489.db2.gz DUMOKPCMQPCHKU-WMZOPIPTSA-N 2 1 288.435 3.364 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246825585 804538453 /nfs/dbraw/zinc/53/84/53/804538453.db2.gz VVIHICFFAPZNNZ-DLBZAZTESA-N 2 1 292.442 3.467 20 0 CGADMP C1CC2(CC[NH2+]1)CCC([N@H+]1CC3CCC1CC3)CC2 ZINC001246836381 804543992 /nfs/dbraw/zinc/54/39/92/804543992.db2.gz VWFZUWSLTVKMHX-UHFFFAOYSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246839687 804548579 /nfs/dbraw/zinc/54/85/79/804548579.db2.gz DNFIOJYKAPEHOD-OLZOCXBDSA-N 2 1 298.833 3.342 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246842014 804550756 /nfs/dbraw/zinc/55/07/56/804550756.db2.gz SMBIXBWNCUTSCM-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246843310 804551653 /nfs/dbraw/zinc/55/16/53/804551653.db2.gz FRYBEOLRNDPENE-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP COCC[N@@H+](C1CC[NH2+]CC1)C1CCC2(CCCC2)CC1 ZINC001246844190 804552748 /nfs/dbraw/zinc/55/27/48/804552748.db2.gz XZBBHKCPKHQVHL-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001246845802 804553333 /nfs/dbraw/zinc/55/33/33/804553333.db2.gz LZOFKRZPFDVTOB-JYJNAYRXSA-N 2 1 290.476 3.017 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246846165 804555999 /nfs/dbraw/zinc/55/59/99/804555999.db2.gz QBNNAQDERQIFRW-ROUUACIJSA-N 2 1 284.447 3.398 20 0 CGADMP C[N@@H+](C[C@H]1CC1(C)C)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246847333 804556422 /nfs/dbraw/zinc/55/64/22/804556422.db2.gz TTZUCTXSVADMDL-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246846849 804556453 /nfs/dbraw/zinc/55/64/53/804556453.db2.gz QSDMXNDLSCVHDV-NVXWUHKLSA-N 2 1 278.415 3.424 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246846849 804556458 /nfs/dbraw/zinc/55/64/58/804556458.db2.gz QSDMXNDLSCVHDV-NVXWUHKLSA-N 2 1 278.415 3.424 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850236 804559313 /nfs/dbraw/zinc/55/93/13/804559313.db2.gz INUPMCRATMKHEO-JGGQBBKZSA-N 2 1 278.827 3.270 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246849990 804560332 /nfs/dbraw/zinc/56/03/32/804560332.db2.gz SQEJVWCEHIZFQP-UAGQMJEPSA-N 2 1 276.399 3.146 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246851070 804560489 /nfs/dbraw/zinc/56/04/89/804560489.db2.gz YDOWTOAQIKZTJG-SZMVWBNQSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850235 804560620 /nfs/dbraw/zinc/56/06/20/804560620.db2.gz INUPMCRATMKHEO-IVMMDQJWSA-N 2 1 278.827 3.270 20 0 CGADMP C1[C@H]2CC[NH2+]C[C@H]2C[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849303 804560812 /nfs/dbraw/zinc/56/08/12/804560812.db2.gz ZPWFZAZVRSCURZ-CVEARBPZSA-N 2 1 276.468 3.421 20 0 CGADMP C[N@@H+]([C@H]1CSC2(C[NH2+]C2)C1)C1CCC(C(C)(C)C)CC1 ZINC001246852487 804561458 /nfs/dbraw/zinc/56/14/58/804561458.db2.gz DWQBRASFNBYUDV-YMAMQOFZSA-N 2 1 296.524 3.371 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)CC[NH2+]1 ZINC001246862047 804565394 /nfs/dbraw/zinc/56/53/94/804565394.db2.gz VBKCOXVCDAHMOM-ROUUACIJSA-N 2 1 270.420 3.306 20 0 CGADMP Fc1cccc2c1CC[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246862140 804565450 /nfs/dbraw/zinc/56/54/50/804565450.db2.gz LQHLTORROVKZRD-YJBOKZPZSA-N 2 1 288.410 3.106 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C2)cc1 ZINC001246868319 804572242 /nfs/dbraw/zinc/57/22/42/804572242.db2.gz RWUHOTAUGVTINK-XOYOTBSWSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C2)cc1 ZINC001246868319 804572243 /nfs/dbraw/zinc/57/22/43/804572243.db2.gz RWUHOTAUGVTINK-XOYOTBSWSA-N 2 1 270.420 3.007 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246877208 804575314 /nfs/dbraw/zinc/57/53/14/804575314.db2.gz FEKRPDWSSZMCAM-ZIAGYGMSSA-N 2 1 276.424 3.046 20 0 CGADMP Fc1ccc2c(c1)CC[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246877300 804575350 /nfs/dbraw/zinc/57/53/50/804575350.db2.gz BOGOJYITVZGJJA-QGZVFWFLSA-N 2 1 288.410 3.106 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246884046 804579465 /nfs/dbraw/zinc/57/94/65/804579465.db2.gz RZSSJDATPCDFDB-BACDZXNISA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246893575 804584783 /nfs/dbraw/zinc/58/47/83/804584783.db2.gz KSXRIQRBIDBHKT-KRWDZBQOSA-N 2 1 298.455 3.119 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246896311 804586471 /nfs/dbraw/zinc/58/64/71/804586471.db2.gz WQEBUMMYNNXPCW-BWTSREIZSA-N 2 1 280.415 3.270 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246906016 804592105 /nfs/dbraw/zinc/59/21/05/804592105.db2.gz CGPCUQKDDJVEOH-PIIMJCKOSA-N 2 1 272.436 3.490 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+]2CCSc3ccccc3C2)CC[NH2+]1 ZINC001246909077 804592778 /nfs/dbraw/zinc/59/27/78/804592778.db2.gz ZIZBLINWSWXHGL-JKSUJKDBSA-N 2 1 290.476 3.371 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCSc3ccccc3C2)CC[NH2+]1 ZINC001246909077 804592784 /nfs/dbraw/zinc/59/27/84/804592784.db2.gz ZIZBLINWSWXHGL-JKSUJKDBSA-N 2 1 290.476 3.371 20 0 CGADMP C1CC2(C1)C[C@@H]([N@@H+]1CC[C@H]3CCCC[C@@H]3C1)CC[NH2+]2 ZINC001246922485 804602822 /nfs/dbraw/zinc/60/28/22/804602822.db2.gz WHZPEUVRHHCURG-OAGGEKHMSA-N 2 1 262.441 3.173 20 0 CGADMP C1CC2(C1)C[C@@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)CC[NH2+]2 ZINC001246922485 804602823 /nfs/dbraw/zinc/60/28/23/804602823.db2.gz WHZPEUVRHHCURG-OAGGEKHMSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)C[C@H](C)[NH2+]1 ZINC001246921173 804602847 /nfs/dbraw/zinc/60/28/47/804602847.db2.gz NYBVBHUUFMPJBH-JKJDWNRSSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)C[C@H](C)[NH2+]1 ZINC001246921173 804602848 /nfs/dbraw/zinc/60/28/48/804602848.db2.gz NYBVBHUUFMPJBH-JKJDWNRSSA-N 2 1 250.430 3.170 20 0 CGADMP CCCCC[C@@H](CC)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246929775 804604900 /nfs/dbraw/zinc/60/49/00/804604900.db2.gz QIVCYXZUFLIHJN-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246929775 804604902 /nfs/dbraw/zinc/60/49/02/804604902.db2.gz QIVCYXZUFLIHJN-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246934338 804606791 /nfs/dbraw/zinc/60/67/91/804606791.db2.gz UIVHOTLQCIKCIP-CWRNSKLLSA-N 2 1 292.854 3.202 20 0 CGADMP FC(F)(F)[C@H]1CCC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246931994 804607212 /nfs/dbraw/zinc/60/72/12/804607212.db2.gz OKOGAQMDTMXULN-CRWXNKLISA-N 2 1 290.373 3.039 20 0 CGADMP Fc1ccc(C[N@H+](C2CCCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246933097 804607222 /nfs/dbraw/zinc/60/72/22/804607222.db2.gz GKNFROWNOKCTPX-QGZVFWFLSA-N 2 1 276.399 3.322 20 0 CGADMP Fc1ccc(C[N@@H+](C2CCCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246933097 804607226 /nfs/dbraw/zinc/60/72/26/804607226.db2.gz GKNFROWNOKCTPX-QGZVFWFLSA-N 2 1 276.399 3.322 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246943400 804611978 /nfs/dbraw/zinc/61/19/78/804611978.db2.gz BAGRNKXXSFXCBW-MRXNPFEDSA-N 2 1 268.420 3.252 20 0 CGADMP CCC(CC)[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001246964489 804619183 /nfs/dbraw/zinc/61/91/83/804619183.db2.gz NJARUODMRGGYME-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246966328 804620968 /nfs/dbraw/zinc/62/09/68/804620968.db2.gz RLUMIMGTKOJIJY-RHSMWYFYSA-N 2 1 258.409 3.182 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]12 ZINC001246972023 804622588 /nfs/dbraw/zinc/62/25/88/804622588.db2.gz CEWDWIDFLWDXHC-DRRJLQACSA-N 2 1 298.474 3.457 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246977226 804623695 /nfs/dbraw/zinc/62/36/95/804623695.db2.gz SAUONMYGJBBROP-MHORFTMASA-N 2 1 272.436 3.067 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2c(F)cccc2C1 ZINC001246976488 804624598 /nfs/dbraw/zinc/62/45/98/804624598.db2.gz QRPOCFHSDXKGOK-ZBFHGGJFSA-N 2 1 290.426 3.005 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCc2ccccc2CC1 ZINC001246979632 804626915 /nfs/dbraw/zinc/62/69/15/804626915.db2.gz ZZVUPJNNBRZLBM-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246982666 804627786 /nfs/dbraw/zinc/62/77/86/804627786.db2.gz ZPMOUPWGZGPZDY-VHSXEESVSA-N 2 1 290.785 3.218 20 0 CGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+](C)C[C@H](C)[NH3+] ZINC001246982666 804627789 /nfs/dbraw/zinc/62/77/89/804627789.db2.gz ZPMOUPWGZGPZDY-VHSXEESVSA-N 2 1 290.785 3.218 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984547 804628972 /nfs/dbraw/zinc/62/89/72/804628972.db2.gz IYQNVQUHSSMMDA-IAGOWNOFSA-N 2 1 297.531 3.207 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984547 804628975 /nfs/dbraw/zinc/62/89/75/804628975.db2.gz IYQNVQUHSSMMDA-IAGOWNOFSA-N 2 1 297.531 3.207 20 0 CGADMP C[C@@H]1C[C@H](N)C[N@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001246999734 804634351 /nfs/dbraw/zinc/63/43/51/804634351.db2.gz SZQLYYJZAAEIMG-IGGSBBPBSA-N 2 1 284.447 3.235 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001246999734 804634358 /nfs/dbraw/zinc/63/43/58/804634358.db2.gz SZQLYYJZAAEIMG-IGGSBBPBSA-N 2 1 284.447 3.235 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247004470 804635835 /nfs/dbraw/zinc/63/58/35/804635835.db2.gz RTBMLYXRARQAGA-DLBZAZTESA-N 2 1 260.425 3.069 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccsc4)c3)C[C@@H]2C1 ZINC001141383998 804637503 /nfs/dbraw/zinc/63/75/03/804637503.db2.gz CRCYGODNSFBSRM-HDICACEKSA-N 2 1 298.455 3.409 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccsc4)c3)C[C@@H]2C1 ZINC001141383998 804637511 /nfs/dbraw/zinc/63/75/11/804637511.db2.gz CRCYGODNSFBSRM-HDICACEKSA-N 2 1 298.455 3.409 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccsc4)c3)C[C@@H]2C1 ZINC001141383998 804637517 /nfs/dbraw/zinc/63/75/17/804637517.db2.gz CRCYGODNSFBSRM-HDICACEKSA-N 2 1 298.455 3.409 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC(C)(C)C1 ZINC001247012445 804640215 /nfs/dbraw/zinc/64/02/15/804640215.db2.gz DPRHRWPBXXHAPM-WCVJEAGWSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC(C)(C)C1 ZINC001247012445 804640218 /nfs/dbraw/zinc/64/02/18/804640218.db2.gz DPRHRWPBXXHAPM-WCVJEAGWSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC001257100485 807052113 /nfs/dbraw/zinc/05/21/13/807052113.db2.gz XGPVOZGFRBVRCC-ADHGMGHFSA-N 2 1 294.483 3.281 20 0 CGADMP C[C@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC[C@@H]1C ZINC001256854973 806992335 /nfs/dbraw/zinc/99/23/35/806992335.db2.gz CCKXQVYGYZRPRW-HOTGVXAUSA-N 2 1 287.451 3.418 20 0 CGADMP C[C@]1(F)CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256855827 806992517 /nfs/dbraw/zinc/99/25/17/806992517.db2.gz XOGUXKASVNHPFG-KRWDZBQOSA-N 2 1 291.414 3.265 20 0 CGADMP CCC[C@H](CC)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001257272350 807084847 /nfs/dbraw/zinc/08/48/47/807084847.db2.gz WQUHAOJMBWMOBP-HNNXBMFYSA-N 2 1 290.455 3.231 20 0 CGADMP CCC[C@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257312900 807101229 /nfs/dbraw/zinc/10/12/29/807101229.db2.gz IALCNSXPWYVVRE-XIRDDKMYSA-N 2 1 275.440 3.342 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001257465297 807170575 /nfs/dbraw/zinc/17/05/75/807170575.db2.gz ZHJRNQSNPAHFEC-CHWSQXEVSA-N 2 1 251.418 3.470 20 0 CGADMP Cc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001167752688 807242329 /nfs/dbraw/zinc/24/23/29/807242329.db2.gz XANIXWDYGRKWSV-CQSZACIVSA-N 2 1 261.413 3.375 20 0 CGADMP Cc1cc2[nH+]ccn2cc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167753763 807243276 /nfs/dbraw/zinc/24/32/76/807243276.db2.gz QGSZLIIWAKIBGG-OAHLLOKOSA-N 2 1 286.423 3.319 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC(c4ccccc4)CC3)C[C@@H]2C1 ZINC001257998975 807261421 /nfs/dbraw/zinc/26/14/21/807261421.db2.gz XGNNFVGIXHJWKC-FXSDRFNOSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](C3CCC(c4ccccc4)CC3)C[C@@H]2C1 ZINC001257998975 807261427 /nfs/dbraw/zinc/26/14/27/807261427.db2.gz XGNNFVGIXHJWKC-FXSDRFNOSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC(c4ccccc4)CC3)C[C@@H]2C1 ZINC001257998975 807261432 /nfs/dbraw/zinc/26/14/32/807261432.db2.gz XGNNFVGIXHJWKC-FXSDRFNOSA-N 2 1 284.447 3.206 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccccn1 ZINC001258003652 807263630 /nfs/dbraw/zinc/26/36/30/807263630.db2.gz PYRCSYIASAYPOM-MRXNPFEDSA-N 2 1 275.440 3.243 20 0 CGADMP CC[N@H+](Cc1ccncc1)C1CC[NH+](CC(C)C)CC1 ZINC001258011737 807264313 /nfs/dbraw/zinc/26/43/13/807264313.db2.gz PKZALNVHCGFFFE-UHFFFAOYSA-N 2 1 275.440 3.024 20 0 CGADMP CC[N@@H+](Cc1ccncc1)C1CC[NH+](CC(C)C)CC1 ZINC001258011737 807264319 /nfs/dbraw/zinc/26/43/19/807264319.db2.gz PKZALNVHCGFFFE-UHFFFAOYSA-N 2 1 275.440 3.024 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC001258016910 807267499 /nfs/dbraw/zinc/26/74/99/807267499.db2.gz NRWZONOYWNRQLC-AWEZNQCLSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167919060 807275331 /nfs/dbraw/zinc/27/53/31/807275331.db2.gz RGBDGZHJFWLPTH-HCAJQNDMSA-N 2 1 250.430 3.013 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccncc1 ZINC001167960515 807286499 /nfs/dbraw/zinc/28/64/99/807286499.db2.gz ZTALWQSJHMJLIM-DXJOGWAWSA-N 2 1 285.435 3.138 20 0 CGADMP CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167982147 807290793 /nfs/dbraw/zinc/29/07/93/807290793.db2.gz YEGFGGWRUNWJMS-SJPCQFCGSA-N 2 1 262.441 3.124 20 0 CGADMP FCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167996007 807294534 /nfs/dbraw/zinc/29/45/34/807294534.db2.gz VBYXFUCCZFMBQJ-SJPCQFCGSA-N 2 1 280.431 3.073 20 0 CGADMP CC[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001835 807297797 /nfs/dbraw/zinc/29/77/97/807297797.db2.gz IYKCFCFNZOWXQE-KTFSGNIMSA-N 2 1 262.441 3.124 20 0 CGADMP CC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001835 807297803 /nfs/dbraw/zinc/29/78/03/807297803.db2.gz IYKCFCFNZOWXQE-KTFSGNIMSA-N 2 1 262.441 3.124 20 0 CGADMP CC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001835 807297810 /nfs/dbraw/zinc/29/78/10/807297810.db2.gz IYKCFCFNZOWXQE-KTFSGNIMSA-N 2 1 262.441 3.124 20 0 CGADMP CCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001168131964 807318519 /nfs/dbraw/zinc/31/85/19/807318519.db2.gz GRWIYVCOTPLPOC-AWEZNQCLSA-N 2 1 272.396 3.173 20 0 CGADMP CC1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001168209207 807349279 /nfs/dbraw/zinc/34/92/79/807349279.db2.gz NBDLUOBMOFGDOK-PCKAHOCUSA-N 2 1 252.446 3.406 20 0 CGADMP Cc1ccc[nH+]c1N([C@H](C)Cc1ccco1)C1CC[NH2+]CC1 ZINC001258197813 807358260 /nfs/dbraw/zinc/35/82/60/807358260.db2.gz SBFGTZLHCVFKLL-OAHLLOKOSA-N 2 1 299.418 3.173 20 0 CGADMP CSCC[C@@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258222609 807373058 /nfs/dbraw/zinc/37/30/58/807373058.db2.gz CAPODGGRJWKOKV-PMPSAXMXSA-N 2 1 284.513 3.467 20 0 CGADMP CSCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258222609 807373065 /nfs/dbraw/zinc/37/30/65/807373065.db2.gz CAPODGGRJWKOKV-PMPSAXMXSA-N 2 1 284.513 3.467 20 0 CGADMP CSCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001258222609 807373072 /nfs/dbraw/zinc/37/30/72/807373072.db2.gz CAPODGGRJWKOKV-PMPSAXMXSA-N 2 1 284.513 3.467 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001168323720 807384002 /nfs/dbraw/zinc/38/40/02/807384002.db2.gz BHJKXXIIWZNUKN-DQPZFDDXSA-N 2 1 273.424 3.091 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2c2nccs2)CC1 ZINC001168327367 807385443 /nfs/dbraw/zinc/38/54/43/807385443.db2.gz KWQRMMNAUQIRPR-JXQTWKCFSA-N 2 1 279.453 3.153 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168372854 807396196 /nfs/dbraw/zinc/39/61/96/807396196.db2.gz MOPCYLSBMSCNQA-GOSISDBHSA-N 2 1 284.447 3.350 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC001168492867 807434855 /nfs/dbraw/zinc/43/48/55/807434855.db2.gz YTTUECMTFUYSRM-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC001168492867 807434857 /nfs/dbraw/zinc/43/48/57/807434857.db2.gz YTTUECMTFUYSRM-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001258389398 807437299 /nfs/dbraw/zinc/43/72/99/807437299.db2.gz MVXWHJACEWKFNJ-NVXWUHKLSA-N 2 1 290.451 3.090 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001258654118 807524087 /nfs/dbraw/zinc/52/40/87/807524087.db2.gz HRZVPFIEBNVGLG-CGTJXYLNSA-N 2 1 274.452 3.328 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001258654118 807524092 /nfs/dbraw/zinc/52/40/92/807524092.db2.gz HRZVPFIEBNVGLG-CGTJXYLNSA-N 2 1 274.452 3.328 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001258708449 807562783 /nfs/dbraw/zinc/56/27/83/807562783.db2.gz XUWNKHKDXPEWQH-WBVHZDCISA-N 2 1 262.441 3.315 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169100249 807577022 /nfs/dbraw/zinc/57/70/22/807577022.db2.gz HIXSCWOEUTUUIN-KYHPRHEASA-N 2 1 270.420 3.197 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC13CCC(F)(F)CC3)C2 ZINC001169115019 807581028 /nfs/dbraw/zinc/58/10/28/807581028.db2.gz GUZCAXSAPJXYAL-YIYPIFLZSA-N 2 1 284.394 3.169 20 0 CGADMP Cc1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001169137230 807586728 /nfs/dbraw/zinc/58/67/28/807586728.db2.gz JDLVDLUXAAFJJF-CZUORRHYSA-N 2 1 276.428 3.049 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258751799 807591531 /nfs/dbraw/zinc/59/15/31/807591531.db2.gz WBEKEDZNYXHNGX-CYBMUJFWSA-N 2 1 289.810 3.026 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258751799 807591534 /nfs/dbraw/zinc/59/15/34/807591534.db2.gz WBEKEDZNYXHNGX-CYBMUJFWSA-N 2 1 289.810 3.026 20 0 CGADMP C[NH2+]CCc1cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169155528 807595782 /nfs/dbraw/zinc/59/57/82/807595782.db2.gz QJYJVZWOHXIJDS-BJWYYQGGSA-N 2 1 297.446 3.201 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169162901 807598187 /nfs/dbraw/zinc/59/81/87/807598187.db2.gz VHDAAMXOMPKSBQ-JHJNDJDLSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CC[C@H]([NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169162901 807598193 /nfs/dbraw/zinc/59/81/93/807598193.db2.gz VHDAAMXOMPKSBQ-JHJNDJDLSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CC[C@H]([NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169162901 807598197 /nfs/dbraw/zinc/59/81/97/807598197.db2.gz VHDAAMXOMPKSBQ-JHJNDJDLSA-N 2 1 250.430 3.122 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cnc(Cl)c(C)c2)CC1 ZINC001258766857 807602937 /nfs/dbraw/zinc/60/29/37/807602937.db2.gz GQMUAUFLGQPEMF-UHFFFAOYSA-N 2 1 281.831 3.007 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258781717 807608521 /nfs/dbraw/zinc/60/85/21/807608521.db2.gz ZPTLNVYEQNHELJ-DGADGQDISA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258833229 807647953 /nfs/dbraw/zinc/64/79/53/807647953.db2.gz ZMXVTPXHKSMMSK-WKILWMFISA-N 2 1 296.499 3.418 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001258897777 807667773 /nfs/dbraw/zinc/66/77/73/807667773.db2.gz CFNAEBBBFQARBC-KRWDZBQOSA-N 3 1 297.531 3.480 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001258908095 807672236 /nfs/dbraw/zinc/67/22/36/807672236.db2.gz RCGRXVMSWMTJPD-UONOGXRCSA-N 2 1 276.415 3.474 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)CC(C)(C)C ZINC001169761701 807705344 /nfs/dbraw/zinc/70/53/44/807705344.db2.gz MZWHSYJTQKBUMU-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CC(C)CCC[C@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001170079953 807750321 /nfs/dbraw/zinc/75/03/21/807750321.db2.gz HGVOBHBVMPZBAK-HNNXBMFYSA-N 2 1 295.471 3.331 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 ZINC001170137328 807772367 /nfs/dbraw/zinc/77/23/67/807772367.db2.gz OALKEVLCFBMZBC-UKRRQHHQSA-N 2 1 273.424 3.117 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC001170246355 807803468 /nfs/dbraw/zinc/80/34/68/807803468.db2.gz UCHXUUKZBOSKAL-IRXDYDNUSA-N 2 1 282.472 3.140 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccccc1Cl ZINC001170250883 807804908 /nfs/dbraw/zinc/80/49/08/807804908.db2.gz VFAYLNKRHDNJFL-CYBMUJFWSA-N 2 1 268.832 3.332 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@@H]2CCCOCC2)CC1 ZINC001170800749 807910012 /nfs/dbraw/zinc/91/00/12/807910012.db2.gz HLWDEGNLPDZCQD-DJIMGWMZSA-N 2 1 280.456 3.070 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170895425 807927158 /nfs/dbraw/zinc/92/71/58/807927158.db2.gz DQLPFIPQPMAYHF-LSDHHAIUSA-N 2 1 292.854 3.271 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171093131 807981686 /nfs/dbraw/zinc/98/16/86/807981686.db2.gz CRWHYFBRENYMKJ-MRXNPFEDSA-N 2 1 280.843 3.257 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC23CC3)CC1(C)C ZINC001171628907 808107535 /nfs/dbraw/zinc/10/75/35/808107535.db2.gz MDUGMPYDOKLMRI-UHFFFAOYSA-N 2 1 250.430 3.266 20 0 CGADMP Cc1ccc(CC[C@H](C)n2cc[nH+]c2CCC[NH3+])cc1 ZINC001171664971 808116385 /nfs/dbraw/zinc/11/63/85/808116385.db2.gz IMHCZFLYQQDENY-HNNXBMFYSA-N 2 1 271.408 3.277 20 0 CGADMP COC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965205 808161630 /nfs/dbraw/zinc/16/16/30/808161630.db2.gz OWJHLMNSPVFETO-WBVHZDCISA-N 2 1 290.451 3.054 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3ccccc31)C2 ZINC001172100702 808171886 /nfs/dbraw/zinc/17/18/86/808171886.db2.gz ROUMNWSXAJLPMU-JYYAWHABSA-N 2 1 286.419 3.115 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3ccccc31)C2 ZINC001172100702 808171889 /nfs/dbraw/zinc/17/18/89/808171889.db2.gz ROUMNWSXAJLPMU-JYYAWHABSA-N 2 1 286.419 3.115 20 0 CGADMP Cc1csc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172102766 808173553 /nfs/dbraw/zinc/17/35/53/808173553.db2.gz OUQUUUVJTPFKIC-YIYPIFLZSA-N 2 1 279.453 3.117 20 0 CGADMP Cc1csc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172102766 808173558 /nfs/dbraw/zinc/17/35/58/808173558.db2.gz OUQUUUVJTPFKIC-YIYPIFLZSA-N 2 1 279.453 3.117 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(O)c1 ZINC001172102425 808173963 /nfs/dbraw/zinc/17/39/63/808173963.db2.gz MTJGTZPNWAKPLB-HNKHHVNMSA-N 2 1 274.408 3.058 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(O)c1 ZINC001172102425 808173966 /nfs/dbraw/zinc/17/39/66/808173966.db2.gz MTJGTZPNWAKPLB-HNKHHVNMSA-N 2 1 274.408 3.058 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cccc(Cl)c1)C2 ZINC001172102714 808174780 /nfs/dbraw/zinc/17/47/80/808174780.db2.gz OKHYIWXIGPVBKP-BJWYYQGGSA-N 2 1 292.854 3.487 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3)CC1)C2 ZINC001172102630 808174997 /nfs/dbraw/zinc/17/49/97/808174997.db2.gz NRFBHFDYAORXQM-BJWYYQGGSA-N 2 1 270.420 3.281 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3)CC1)C2 ZINC001172102630 808174999 /nfs/dbraw/zinc/17/49/99/808174999.db2.gz NRFBHFDYAORXQM-BJWYYQGGSA-N 2 1 270.420 3.281 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3cccnc31)C2 ZINC001172107456 808175944 /nfs/dbraw/zinc/17/59/44/808175944.db2.gz XUHFWTGZYGXDDR-YYIAUSFCSA-N 2 1 285.435 3.064 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172106218 808177361 /nfs/dbraw/zinc/17/73/61/808177361.db2.gz NOCAQMTVSLWGCZ-ZMMAXQRCSA-N 2 1 299.462 3.446 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccc(F)cc1)C2 ZINC001172111263 808178171 /nfs/dbraw/zinc/17/81/71/808178171.db2.gz QWLFLNALSVFVFD-ILOCAZANSA-N 2 1 288.410 3.287 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccc(F)cc1)C2 ZINC001172111263 808178174 /nfs/dbraw/zinc/17/81/74/808178174.db2.gz QWLFLNALSVFVFD-ILOCAZANSA-N 2 1 288.410 3.287 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113165 808180319 /nfs/dbraw/zinc/18/03/19/808180319.db2.gz HHMDTMHXCUHGKM-RYPNDVFKSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113165 808180322 /nfs/dbraw/zinc/18/03/22/808180322.db2.gz HHMDTMHXCUHGKM-RYPNDVFKSA-N 2 1 250.430 3.026 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3sccc3C1)C2 ZINC001172117324 808181059 /nfs/dbraw/zinc/18/10/59/808181059.db2.gz GJBSJSPGUVFZIT-FICVDOATSA-N 2 1 276.449 3.122 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3sccc3C1)C2 ZINC001172117324 808181064 /nfs/dbraw/zinc/18/10/64/808181064.db2.gz GJBSJSPGUVFZIT-FICVDOATSA-N 2 1 276.449 3.122 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3sccc3C1)C2 ZINC001172117324 808181067 /nfs/dbraw/zinc/18/10/67/808181067.db2.gz GJBSJSPGUVFZIT-FICVDOATSA-N 2 1 276.449 3.122 20 0 CGADMP C[N@H+](CCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114629 808181300 /nfs/dbraw/zinc/18/13/00/808181300.db2.gz RMZBHXLVMQWMHT-PIIMJCKOSA-N 2 1 272.436 3.176 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114629 808181302 /nfs/dbraw/zinc/18/13/02/808181302.db2.gz RMZBHXLVMQWMHT-PIIMJCKOSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114629 808181303 /nfs/dbraw/zinc/18/13/03/808181303.db2.gz RMZBHXLVMQWMHT-PIIMJCKOSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114629 808181306 /nfs/dbraw/zinc/18/13/06/808181306.db2.gz RMZBHXLVMQWMHT-PIIMJCKOSA-N 2 1 272.436 3.176 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001172116586 808181567 /nfs/dbraw/zinc/18/15/67/808181567.db2.gz BKYZEOFQLCXMIG-SMLCLMEVSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001172116586 808181574 /nfs/dbraw/zinc/18/15/74/808181574.db2.gz BKYZEOFQLCXMIG-SMLCLMEVSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001172116586 808181580 /nfs/dbraw/zinc/18/15/80/808181580.db2.gz BKYZEOFQLCXMIG-SMLCLMEVSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3c(F)cccc3C1)C2 ZINC001172123546 808186917 /nfs/dbraw/zinc/18/69/17/808186917.db2.gz DZOXSXHFRMRVHE-MUJYYYPQSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3c(F)cccc3C1)C2 ZINC001172123546 808186919 /nfs/dbraw/zinc/18/69/19/808186919.db2.gz DZOXSXHFRMRVHE-MUJYYYPQSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3c(F)cccc3C1)C2 ZINC001172123546 808186922 /nfs/dbraw/zinc/18/69/22/808186922.db2.gz DZOXSXHFRMRVHE-MUJYYYPQSA-N 2 1 288.410 3.199 20 0 CGADMP Cc1ccccc1C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123329 808186960 /nfs/dbraw/zinc/18/69/60/808186960.db2.gz ZWIZQLHHTUMFHT-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123329 808186961 /nfs/dbraw/zinc/18/69/61/808186961.db2.gz ZWIZQLHHTUMFHT-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccccc1C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123329 808186966 /nfs/dbraw/zinc/18/69/66/808186966.db2.gz ZWIZQLHHTUMFHT-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccccc1C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123329 808186970 /nfs/dbraw/zinc/18/69/70/808186970.db2.gz ZWIZQLHHTUMFHT-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)CC2CCC2)CC1 ZINC001172249231 808209495 /nfs/dbraw/zinc/20/94/95/808209495.db2.gz ZDOHGPARDNOIDH-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172320701 808230573 /nfs/dbraw/zinc/23/05/73/808230573.db2.gz ZNAGEJJRHSKKBT-ZACQAIPSSA-N 2 1 284.488 3.434 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172333287 808238069 /nfs/dbraw/zinc/23/80/69/808238069.db2.gz FPJVPLJKRYZVDA-HRCADAONSA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172333287 808238072 /nfs/dbraw/zinc/23/80/72/808238072.db2.gz FPJVPLJKRYZVDA-HRCADAONSA-N 2 1 282.472 3.187 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001172391329 808282135 /nfs/dbraw/zinc/28/21/35/808282135.db2.gz QJYFPIOFTJLXIA-ZWKOTPCHSA-N 2 1 295.515 3.138 20 0 CGADMP CC[C@@H](CC(C)C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172404380 808291997 /nfs/dbraw/zinc/29/19/97/808291997.db2.gz WFDJRRZAXDNWCF-INIZCTEOSA-N 2 1 296.499 3.386 20 0 CGADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172425263 808305507 /nfs/dbraw/zinc/30/55/07/808305507.db2.gz UQQNQFGUOHLUKL-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172568598 808394167 /nfs/dbraw/zinc/39/41/67/808394167.db2.gz NRPGOBTXRGBFIV-IAGOWNOFSA-N 2 1 281.403 3.078 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172568598 808394176 /nfs/dbraw/zinc/39/41/76/808394176.db2.gz NRPGOBTXRGBFIV-IAGOWNOFSA-N 2 1 281.403 3.078 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)CC2 ZINC001172834637 808450802 /nfs/dbraw/zinc/45/08/02/808450802.db2.gz HFWDLXHFZMJYSO-FHWLQOOXSA-N 2 1 286.463 3.315 20 0 CGADMP Cc1ccc2c(c1)C[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001172841860 808456798 /nfs/dbraw/zinc/45/67/98/808456798.db2.gz IGUYDQXEQIOHAI-SFHVURJKSA-N 2 1 295.430 3.389 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172860829 808466276 /nfs/dbraw/zinc/46/62/76/808466276.db2.gz HFCSQIMVGJDNFC-IUODEOHRSA-N 2 1 298.833 3.484 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001172926787 808484724 /nfs/dbraw/zinc/48/47/24/808484724.db2.gz SJXQVCNEOFOAOP-SQNIBIBYSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001172926787 808484728 /nfs/dbraw/zinc/48/47/28/808484728.db2.gz SJXQVCNEOFOAOP-SQNIBIBYSA-N 2 1 294.483 3.188 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC1 ZINC001173108353 808512459 /nfs/dbraw/zinc/51/24/59/808512459.db2.gz CPQGXPXGODFFQT-AQEOSJORSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ccncc3C2)CC1 ZINC001173114369 808513543 /nfs/dbraw/zinc/51/35/43/808513543.db2.gz ICCIMGWTVHZRMG-UHFFFAOYSA-N 2 1 273.424 3.050 20 0 CGADMP CCCC[C@@H](CC(C)C)n1c(C)c[nH+]c1CC[NH3+] ZINC001173245457 808553323 /nfs/dbraw/zinc/55/33/23/808553323.db2.gz GGIQHEDIHMJJLT-AWEZNQCLSA-N 2 1 251.418 3.470 20 0 CGADMP CCSC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173293679 808594104 /nfs/dbraw/zinc/59/41/04/808594104.db2.gz CBEHKANYPQDEOI-BPLDGKMQSA-N 2 1 270.486 3.110 20 0 CGADMP CC[C@H]1CC[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001173296484 808597162 /nfs/dbraw/zinc/59/71/62/808597162.db2.gz UEKATLANIAXHAA-BBRMVZONSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001173296486 808597188 /nfs/dbraw/zinc/59/71/88/808597188.db2.gz UEKATLANIAXHAA-CZUORRHYSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCCC2(CCCCC2)C1 ZINC001173338486 808618752 /nfs/dbraw/zinc/61/87/52/808618752.db2.gz AOOSFMMRXMSYAO-CABCVRRESA-N 2 1 252.446 3.406 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCc3cccs3)C2)C1 ZINC001274989716 808896835 /nfs/dbraw/zinc/89/68/35/808896835.db2.gz CXCFSCJCWLHMAT-INIZCTEOSA-N 2 1 278.465 3.098 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCc3cccs3)C2)C1 ZINC001274989716 808896838 /nfs/dbraw/zinc/89/68/38/808896838.db2.gz CXCFSCJCWLHMAT-INIZCTEOSA-N 2 1 278.465 3.098 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCc3cccs3)C2)C1 ZINC001274989716 808896844 /nfs/dbraw/zinc/89/68/44/808896844.db2.gz CXCFSCJCWLHMAT-INIZCTEOSA-N 2 1 278.465 3.098 20 0 CGADMP CCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001275107535 808908737 /nfs/dbraw/zinc/90/87/37/808908737.db2.gz AZPOMGSQWJMXFJ-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc2ccc(F)cc12 ZINC001275485063 808940342 /nfs/dbraw/zinc/94/03/42/808940342.db2.gz MJNQSPKXGGLLES-GOOCMWNKSA-N 2 1 288.366 3.287 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc2ccc(F)cc12 ZINC001275485063 808940348 /nfs/dbraw/zinc/94/03/48/808940348.db2.gz MJNQSPKXGGLLES-GOOCMWNKSA-N 2 1 288.366 3.287 20 0 CGADMP Cc1cccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001275822641 808967695 /nfs/dbraw/zinc/96/76/95/808967695.db2.gz MHINNJOMVBOJOU-UHFFFAOYSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc(C)c1F ZINC001275830168 808969322 /nfs/dbraw/zinc/96/93/22/808969322.db2.gz OADJZVXHDOPJSE-SFHVURJKSA-N 2 1 290.426 3.360 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc(C)c1F ZINC001275830168 808969326 /nfs/dbraw/zinc/96/93/26/808969326.db2.gz OADJZVXHDOPJSE-SFHVURJKSA-N 2 1 290.426 3.360 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc(C)c1F ZINC001275830168 808969334 /nfs/dbraw/zinc/96/93/34/808969334.db2.gz OADJZVXHDOPJSE-SFHVURJKSA-N 2 1 290.426 3.360 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc(C)c1F ZINC001275830168 808969339 /nfs/dbraw/zinc/96/93/39/808969339.db2.gz OADJZVXHDOPJSE-SFHVURJKSA-N 2 1 290.426 3.360 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1F ZINC001276378266 809005720 /nfs/dbraw/zinc/00/57/20/809005720.db2.gz OTQKVXZXXIPWOJ-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1F ZINC001276378266 809005727 /nfs/dbraw/zinc/00/57/27/809005727.db2.gz OTQKVXZXXIPWOJ-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP CC/C=C\CC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276521879 809014564 /nfs/dbraw/zinc/01/45/64/809014564.db2.gz CCULGYVPCPDEKQ-PLNGDYQASA-N 2 1 250.430 3.151 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCc3ccccc3F)C[C@H]2CC1 ZINC001276727295 809026536 /nfs/dbraw/zinc/02/65/36/809026536.db2.gz OXDHZXOUBKBFIG-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3ccccc3F)C[C@H]2CC1 ZINC001276727295 809026543 /nfs/dbraw/zinc/02/65/43/809026543.db2.gz OXDHZXOUBKBFIG-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3ccccc3F)C[C@H]2CC1 ZINC001276727295 809026551 /nfs/dbraw/zinc/02/65/51/809026551.db2.gz OXDHZXOUBKBFIG-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP Cc1ccc2c(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)c[nH]c2c1 ZINC001276754238 809028679 /nfs/dbraw/zinc/02/86/79/809028679.db2.gz RJWGVBOTEYGARD-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)CCCC(C)(C)O ZINC001276765676 809029450 /nfs/dbraw/zinc/02/94/50/809029450.db2.gz ZBCTWFULCJASRC-MGNMYUMUSA-N 2 1 296.499 3.169 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276830818 809035854 /nfs/dbraw/zinc/03/58/54/809035854.db2.gz VJCALHOZWSGPNO-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2c1cccc2C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276830818 809035862 /nfs/dbraw/zinc/03/58/62/809035862.db2.gz VJCALHOZWSGPNO-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2c1cccc2C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276830818 809035868 /nfs/dbraw/zinc/03/58/68/809035868.db2.gz VJCALHOZWSGPNO-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cc1cccc(N2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)[nH+]1 ZINC001276981221 809051508 /nfs/dbraw/zinc/05/15/08/809051508.db2.gz TWQSVHWJDJKZDC-CALCHBBNSA-N 2 1 299.462 3.481 20 0 CGADMP Cc1cccc(N2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)[nH+]1 ZINC001276981221 809051516 /nfs/dbraw/zinc/05/15/16/809051516.db2.gz TWQSVHWJDJKZDC-CALCHBBNSA-N 2 1 299.462 3.481 20 0 CGADMP FC(F)C[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001277645943 809085948 /nfs/dbraw/zinc/08/59/48/809085948.db2.gz ZQNSGSLCERLWBQ-UHFFFAOYSA-N 2 1 286.410 3.372 20 0 CGADMP FC(F)C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277645943 809085954 /nfs/dbraw/zinc/08/59/54/809085954.db2.gz ZQNSGSLCERLWBQ-UHFFFAOYSA-N 2 1 286.410 3.372 20 0 CGADMP CC(C)OCC[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277657323 809087894 /nfs/dbraw/zinc/08/78/94/809087894.db2.gz HTYNMBBNCQBELQ-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)OCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277657323 809087900 /nfs/dbraw/zinc/08/79/00/809087900.db2.gz HTYNMBBNCQBELQ-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)OCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277657323 809087907 /nfs/dbraw/zinc/08/79/07/809087907.db2.gz HTYNMBBNCQBELQ-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)OCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277657323 809087910 /nfs/dbraw/zinc/08/79/10/809087910.db2.gz HTYNMBBNCQBELQ-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cc[nH+]c(C)c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176223890 809650306 /nfs/dbraw/zinc/65/03/06/809650306.db2.gz NTVOLZBEJFJIJI-UHFFFAOYSA-N 2 1 285.391 3.382 20 0 CGADMP Cn1c[nH+]c2cccc(Nc3ccc(C[NH+](C)C)cc3)c21 ZINC001176292080 809663320 /nfs/dbraw/zinc/66/33/20/809663320.db2.gz NFXDTSABFSKEKX-UHFFFAOYSA-N 2 1 280.375 3.379 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001178661728 809880942 /nfs/dbraw/zinc/88/09/42/809880942.db2.gz WXGZYWQXWMBUKY-JJXSEGSLSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001178661728 809880945 /nfs/dbraw/zinc/88/09/45/809880945.db2.gz WXGZYWQXWMBUKY-JJXSEGSLSA-N 2 1 250.430 3.029 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001178934073 809895261 /nfs/dbraw/zinc/89/52/61/809895261.db2.gz HXYWJDAJVHAXLO-UONOGXRCSA-N 2 1 270.486 3.125 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001178934073 809895264 /nfs/dbraw/zinc/89/52/64/809895264.db2.gz HXYWJDAJVHAXLO-UONOGXRCSA-N 2 1 270.486 3.125 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)c2ccccc12 ZINC001179266516 809911778 /nfs/dbraw/zinc/91/17/78/809911778.db2.gz OYXXHQJRLJQLJA-UHFFFAOYSA-N 2 1 283.350 3.045 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001179816054 809949094 /nfs/dbraw/zinc/94/90/94/809949094.db2.gz KLPIROYSEBBIHM-RRQGHBQHSA-N 2 1 292.854 3.387 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906268 809956997 /nfs/dbraw/zinc/95/69/97/809956997.db2.gz WHGSBDPGWINSIR-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906268 809957001 /nfs/dbraw/zinc/95/70/01/809957001.db2.gz WHGSBDPGWINSIR-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906268 809957006 /nfs/dbraw/zinc/95/70/06/809957006.db2.gz WHGSBDPGWINSIR-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC001179931333 809959370 /nfs/dbraw/zinc/95/93/70/809959370.db2.gz LUDFKIGTFLBKSY-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001180092293 809972791 /nfs/dbraw/zinc/97/27/91/809972791.db2.gz LBRCSGMVXSCBJB-WMZOPIPTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001180092293 809972796 /nfs/dbraw/zinc/97/27/96/809972796.db2.gz LBRCSGMVXSCBJB-WMZOPIPTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001180092293 809972799 /nfs/dbraw/zinc/97/27/99/809972799.db2.gz LBRCSGMVXSCBJB-WMZOPIPTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001180092293 809972805 /nfs/dbraw/zinc/97/28/05/809972805.db2.gz LBRCSGMVXSCBJB-WMZOPIPTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001180092290 809973143 /nfs/dbraw/zinc/97/31/43/809973143.db2.gz LBRCSGMVXSCBJB-SJLPKXTDSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001180092290 809973147 /nfs/dbraw/zinc/97/31/47/809973147.db2.gz LBRCSGMVXSCBJB-SJLPKXTDSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC001180092290 809973151 /nfs/dbraw/zinc/97/31/51/809973151.db2.gz LBRCSGMVXSCBJB-SJLPKXTDSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC001180092290 809973155 /nfs/dbraw/zinc/97/31/55/809973155.db2.gz LBRCSGMVXSCBJB-SJLPKXTDSA-N 2 1 274.452 3.260 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)C1CC1)C1CCCCC1 ZINC001182742742 810122419 /nfs/dbraw/zinc/12/24/19/810122419.db2.gz IOWFTYQKEVSNNO-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc(C)c1O ZINC001184198733 810182345 /nfs/dbraw/zinc/18/23/45/810182345.db2.gz ZANWBIPFRLGTHN-UHFFFAOYSA-N 2 1 278.440 3.029 20 0 CGADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc(C)c1O ZINC001184198733 810182350 /nfs/dbraw/zinc/18/23/50/810182350.db2.gz ZANWBIPFRLGTHN-UHFFFAOYSA-N 2 1 278.440 3.029 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC23CCC(CC2)C3)[C@@H](C)C1 ZINC001191601959 810727423 /nfs/dbraw/zinc/72/74/23/810727423.db2.gz SUZXXAPXTYDUDQ-ORBLRFAASA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC23CCC(CC2)C3)[C@@H](C)C1 ZINC001191601959 810727426 /nfs/dbraw/zinc/72/74/26/810727426.db2.gz SUZXXAPXTYDUDQ-ORBLRFAASA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC23CCC(CC2)C3)[C@@H](C)C1 ZINC001191601959 810727430 /nfs/dbraw/zinc/72/74/30/810727430.db2.gz SUZXXAPXTYDUDQ-ORBLRFAASA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCc2ccccc2CC1 ZINC001194401778 811067769 /nfs/dbraw/zinc/06/77/69/811067769.db2.gz VMLRGMWSWOHMON-UHFFFAOYSA-N 2 1 274.452 3.209 20 0 CGADMP CC1(C)CC([NH2+]CCC[NH+]2CCC(O)CC2)CC(C)(C)C1 ZINC001199720823 811593067 /nfs/dbraw/zinc/59/30/67/811593067.db2.gz ALDUTVPYHAQDCH-UHFFFAOYSA-N 2 1 296.499 3.028 20 0 CGADMP Cc1cc(C)c(C[NH2+]Cc2c[nH+]ccc2N(C)C)c(C)c1 ZINC001199830690 811600725 /nfs/dbraw/zinc/60/07/25/811600725.db2.gz QEWIVNCHLQGZIH-UHFFFAOYSA-N 2 1 283.419 3.363 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001200232281 811646618 /nfs/dbraw/zinc/64/66/18/811646618.db2.gz JSTPFGVILULBAM-JYJNAYRXSA-N 2 1 252.446 3.299 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC001200256664 811656072 /nfs/dbraw/zinc/65/60/72/811656072.db2.gz VGGSMGSZDCPMJD-KSZLIROESA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC001200256664 811656080 /nfs/dbraw/zinc/65/60/80/811656080.db2.gz VGGSMGSZDCPMJD-KSZLIROESA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+](C)C1CCN(C)CC1 ZINC001201483127 811858673 /nfs/dbraw/zinc/85/86/73/811858673.db2.gz VWGYORMQEBOLFK-HNNXBMFYSA-N 2 1 252.446 3.395 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001201483127 811858680 /nfs/dbraw/zinc/85/86/80/811858680.db2.gz VWGYORMQEBOLFK-HNNXBMFYSA-N 2 1 252.446 3.395 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001201483127 811858688 /nfs/dbraw/zinc/85/86/88/811858688.db2.gz VWGYORMQEBOLFK-HNNXBMFYSA-N 2 1 252.446 3.395 20 0 CGADMP CCC[C@H](C)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201544494 811895254 /nfs/dbraw/zinc/89/52/54/811895254.db2.gz XZJNXPXRIWMWAO-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201544494 811895260 /nfs/dbraw/zinc/89/52/60/811895260.db2.gz XZJNXPXRIWMWAO-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201544494 811895268 /nfs/dbraw/zinc/89/52/68/811895268.db2.gz XZJNXPXRIWMWAO-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201544494 811895274 /nfs/dbraw/zinc/89/52/74/811895274.db2.gz XZJNXPXRIWMWAO-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@H](C)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001201549509 811896465 /nfs/dbraw/zinc/89/64/65/811896465.db2.gz BSWSKOVNBFALRC-HNNXBMFYSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCc2ccccc2)CC1 ZINC001201603545 811917973 /nfs/dbraw/zinc/91/79/73/811917973.db2.gz IHSQMPJGDRCVOK-UHFFFAOYSA-N 2 1 274.452 3.281 20 0 CGADMP CCCC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201714773 811944619 /nfs/dbraw/zinc/94/46/19/811944619.db2.gz AMJXPYBTDOXABT-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP CCCC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201714773 811944625 /nfs/dbraw/zinc/94/46/25/811944625.db2.gz AMJXPYBTDOXABT-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP CCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201730859 811950270 /nfs/dbraw/zinc/95/02/70/811950270.db2.gz MMRCJNAZFHRBRV-HNNXBMFYSA-N 2 1 292.471 3.290 20 0 CGADMP CCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201730859 811950275 /nfs/dbraw/zinc/95/02/75/811950275.db2.gz MMRCJNAZFHRBRV-HNNXBMFYSA-N 2 1 292.471 3.290 20 0 CGADMP CCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201730859 811950277 /nfs/dbraw/zinc/95/02/77/811950277.db2.gz MMRCJNAZFHRBRV-HNNXBMFYSA-N 2 1 292.471 3.290 20 0 CGADMP CCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201730859 811950279 /nfs/dbraw/zinc/95/02/79/811950279.db2.gz MMRCJNAZFHRBRV-HNNXBMFYSA-N 2 1 292.471 3.290 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001202629312 812141784 /nfs/dbraw/zinc/14/17/84/812141784.db2.gz QRWGPCVWGXDEEU-KKUMJFAQSA-N 2 1 272.502 3.371 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001202629312 812141787 /nfs/dbraw/zinc/14/17/87/812141787.db2.gz QRWGPCVWGXDEEU-KKUMJFAQSA-N 2 1 272.502 3.371 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001203968885 812504180 /nfs/dbraw/zinc/50/41/80/812504180.db2.gz OVMBFPUSZYBGNX-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C(C)(C)C)cc1 ZINC001204266865 812592572 /nfs/dbraw/zinc/59/25/72/812592572.db2.gz AHCZBLJOXSZRQD-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP C[C@H]1CCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204265344 812592956 /nfs/dbraw/zinc/59/29/56/812592956.db2.gz FNRTUCOIGFCDLN-HNNXBMFYSA-N 2 1 276.424 3.001 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c21 ZINC001204735188 812719585 /nfs/dbraw/zinc/71/95/85/812719585.db2.gz NJBGGTIKNJRBHK-UHFFFAOYSA-N 2 1 297.446 3.442 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCCC3(CC[NH2+]CC3)C1)CCCN2 ZINC001204742393 812723870 /nfs/dbraw/zinc/72/38/70/812723870.db2.gz MQCWJTQJSKNYGW-UHFFFAOYSA-N 2 1 299.462 3.010 20 0 CGADMP C[C@]1([NH3+])CC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204763900 812728992 /nfs/dbraw/zinc/72/89/92/812728992.db2.gz RQTPGRPGMAAXPI-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@]1([NH3+])CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204763900 812728996 /nfs/dbraw/zinc/72/89/96/812728996.db2.gz RQTPGRPGMAAXPI-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001204848824 812753733 /nfs/dbraw/zinc/75/37/33/812753733.db2.gz UVQOQYNOSGXVLC-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001204848824 812753738 /nfs/dbraw/zinc/75/37/38/812753738.db2.gz UVQOQYNOSGXVLC-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001204938198 812787161 /nfs/dbraw/zinc/78/71/61/812787161.db2.gz KLIXDRNDCCMJMJ-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001204938198 812787165 /nfs/dbraw/zinc/78/71/65/812787165.db2.gz KLIXDRNDCCMJMJ-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H](C)c2ccc(C)o2)C1 ZINC001205001150 812819782 /nfs/dbraw/zinc/81/97/82/812819782.db2.gz ONWXYMFOJDGVQM-UKRRQHHQSA-N 2 1 264.413 3.013 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205016232 812827124 /nfs/dbraw/zinc/82/71/24/812827124.db2.gz HIGICKNMZSAESC-HNNXBMFYSA-N 2 1 268.404 3.223 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C)c2C)C1 ZINC001205018644 812827575 /nfs/dbraw/zinc/82/75/75/812827575.db2.gz WWULHCMCOZMZAF-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C)c2C)C1 ZINC001205018644 812827586 /nfs/dbraw/zinc/82/75/86/812827586.db2.gz WWULHCMCOZMZAF-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C)c(F)c1 ZINC001205017679 812828162 /nfs/dbraw/zinc/82/81/62/812828162.db2.gz YYLRVDNLTOATBL-INIZCTEOSA-N 2 1 264.388 3.269 20 0 CGADMP COc1ccc2cc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205064075 812843942 /nfs/dbraw/zinc/84/39/42/812843942.db2.gz GMNIJGUYOUCJDO-GUYCJALGSA-N 2 1 284.403 3.160 20 0 CGADMP COc1ccc2cc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205064075 812843953 /nfs/dbraw/zinc/84/39/53/812843953.db2.gz GMNIJGUYOUCJDO-GUYCJALGSA-N 2 1 284.403 3.160 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1Cl ZINC001205102337 812866310 /nfs/dbraw/zinc/86/63/10/812866310.db2.gz QJTDDFGZRPYKGO-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1Cl ZINC001205102337 812866317 /nfs/dbraw/zinc/86/63/17/812866317.db2.gz QJTDDFGZRPYKGO-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP Cc1c(C[N@@H+]2CCC[C@H]([NH3+])CC2)cccc1C(F)(F)F ZINC001205109647 812871963 /nfs/dbraw/zinc/87/19/63/812871963.db2.gz ITMRAVDTYPTTNZ-ZDUSSCGKSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@H]([NH3+])CC2)cccc1C(F)(F)F ZINC001205109647 812871970 /nfs/dbraw/zinc/87/19/70/812871970.db2.gz ITMRAVDTYPTTNZ-ZDUSSCGKSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205123972 812876408 /nfs/dbraw/zinc/87/64/08/812876408.db2.gz HZWCBRCAFUGVQU-SFHVURJKSA-N 2 1 295.430 3.370 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3cccccc2-3)CC1 ZINC001205124091 812876935 /nfs/dbraw/zinc/87/69/35/812876935.db2.gz KDAUBROUYNEBST-INIZCTEOSA-N 2 1 254.377 3.105 20 0 CGADMP c1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001205164261 812892779 /nfs/dbraw/zinc/89/27/79/812892779.db2.gz BTFLJQUCQMFEKA-DLBZAZTESA-N 2 1 258.409 3.356 20 0 CGADMP c1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001205164261 812892789 /nfs/dbraw/zinc/89/27/89/812892789.db2.gz BTFLJQUCQMFEKA-DLBZAZTESA-N 2 1 258.409 3.356 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205164500 812895419 /nfs/dbraw/zinc/89/54/19/812895419.db2.gz GRFMPAHEKWCXJA-CQSZACIVSA-N 2 1 266.388 3.265 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@](C)([NH3+])CC2)o1 ZINC001205255758 812919516 /nfs/dbraw/zinc/91/95/16/812919516.db2.gz KOJMNBJEBLUHGA-XJKSGUPXSA-N 2 1 264.413 3.285 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC001205257865 812919584 /nfs/dbraw/zinc/91/95/84/812919584.db2.gz XZIWLUNRSINYDX-ZDUSSCGKSA-N 2 1 260.372 3.015 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@H]1C[NH3+] ZINC001205295540 812936179 /nfs/dbraw/zinc/93/61/79/812936179.db2.gz ABERXPFSGWVHSB-SJLPKXTDSA-N 2 1 274.452 3.316 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1SC ZINC001205297079 812937530 /nfs/dbraw/zinc/93/75/30/812937530.db2.gz YNRHDTIVVKMXCK-MRXNPFEDSA-N 2 1 294.464 3.120 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC001205303360 812940394 /nfs/dbraw/zinc/94/03/94/812940394.db2.gz CWUKOFBNJIQWED-CHWSQXEVSA-N 2 1 266.454 3.117 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1CC ZINC001205305549 812943581 /nfs/dbraw/zinc/94/35/81/812943581.db2.gz SLIARCAEEJOVJR-RHSMWYFYSA-N 2 1 290.451 3.064 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)c1Cl ZINC001205317151 812948842 /nfs/dbraw/zinc/94/88/42/812948842.db2.gz MRRHNLCGAAIGLH-IAQYHMDHSA-N 2 1 280.843 3.374 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205317323 812950650 /nfs/dbraw/zinc/95/06/50/812950650.db2.gz NSFPDUXBQLBWRC-FZMZJTMJSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205317323 812950656 /nfs/dbraw/zinc/95/06/56/812950656.db2.gz NSFPDUXBQLBWRC-FZMZJTMJSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205317322 812951366 /nfs/dbraw/zinc/95/13/66/812951366.db2.gz NSFPDUXBQLBWRC-BXUZGUMPSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205317322 812951373 /nfs/dbraw/zinc/95/13/73/812951373.db2.gz NSFPDUXBQLBWRC-BXUZGUMPSA-N 2 1 266.816 3.065 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205318827 812952293 /nfs/dbraw/zinc/95/22/93/812952293.db2.gz WWAYNIRCAAPYNI-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205318827 812952295 /nfs/dbraw/zinc/95/22/95/812952295.db2.gz WWAYNIRCAAPYNI-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)s1 ZINC001205570388 813008575 /nfs/dbraw/zinc/00/85/75/813008575.db2.gz JTAPECNMBAMGOB-CYBMUJFWSA-N 2 1 288.457 3.123 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205591170 813014604 /nfs/dbraw/zinc/01/46/04/813014604.db2.gz GARCJFNHVGZTOB-INIZCTEOSA-N 2 1 296.455 3.370 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(C)c1 ZINC001205603370 813019143 /nfs/dbraw/zinc/01/91/43/813019143.db2.gz OTSCPHUEWSYQBP-PBHICJAKSA-N 2 1 274.452 3.419 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(C)c1 ZINC001205603372 813019328 /nfs/dbraw/zinc/01/93/28/813019328.db2.gz OTSCPHUEWSYQBP-WMLDXEAASA-N 2 1 274.452 3.419 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205603515 813019352 /nfs/dbraw/zinc/01/93/52/813019352.db2.gz PQGMNBMQHOOGNS-OCCSQVGLSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205602663 813019502 /nfs/dbraw/zinc/01/95/02/813019502.db2.gz LDYQIQFKFHQVLW-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001205603389 813020170 /nfs/dbraw/zinc/02/01/70/813020170.db2.gz OVAXPMYWSACQPC-TWMKSMIVSA-N 2 1 264.457 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001205603502 813020339 /nfs/dbraw/zinc/02/03/39/813020339.db2.gz PKXUWFHTFIDSRX-JSGCOSHPSA-N 2 1 266.816 3.147 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205617693 813029085 /nfs/dbraw/zinc/02/90/85/813029085.db2.gz MJPMZXIAYPMRLM-JKSUJKDBSA-N 2 1 290.451 3.282 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205625287 813032121 /nfs/dbraw/zinc/03/21/21/813032121.db2.gz ASRBLNPMNFTWEH-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2csc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205626758 813032331 /nfs/dbraw/zinc/03/23/31/813032331.db2.gz IXPVXXXAIIZGDQ-JQWIXIFHSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)CC[C@@H]1C[NH3+] ZINC001205626303 813032676 /nfs/dbraw/zinc/03/26/76/813032676.db2.gz FNWSESLJMPCTPG-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205628883 813034191 /nfs/dbraw/zinc/03/41/91/813034191.db2.gz XLUBLKSWCYZFHO-WCQYABFASA-N 2 1 282.378 3.080 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205636115 813035571 /nfs/dbraw/zinc/03/55/71/813035571.db2.gz CGVZLUNDHXHKFZ-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205636075 813036858 /nfs/dbraw/zinc/03/68/58/813036858.db2.gz CACWFNXRRLOSQV-ZIAGYGMSSA-N 2 1 278.465 3.215 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)cc1F ZINC001205639285 813037754 /nfs/dbraw/zinc/03/77/54/813037754.db2.gz YMRSZQRVFHCPEK-DGCLKSJQSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc(F)c1F ZINC001205651331 813041815 /nfs/dbraw/zinc/04/18/15/813041815.db2.gz CSZPZWGMHPZFAG-WCQYABFASA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3occc32)CC[C@H]1C[NH3+] ZINC001205653781 813041868 /nfs/dbraw/zinc/04/18/68/813041868.db2.gz VLKHCHDFOCVFPB-KBPBESRZSA-N 2 1 272.392 3.240 20 0 CGADMP Cc1cccnc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001205793696 813080397 /nfs/dbraw/zinc/08/03/97/813080397.db2.gz ZNNNCQZKTHKQOD-KRWDZBQOSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cccnc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001205793696 813080404 /nfs/dbraw/zinc/08/04/04/813080404.db2.gz ZNNNCQZKTHKQOD-KRWDZBQOSA-N 2 1 287.451 3.230 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001205803689 813084448 /nfs/dbraw/zinc/08/44/48/813084448.db2.gz ITZAIDRTTSVJNE-KSSFIOAISA-N 2 1 268.404 3.399 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001205803689 813084457 /nfs/dbraw/zinc/08/44/57/813084457.db2.gz ITZAIDRTTSVJNE-KSSFIOAISA-N 2 1 268.404 3.399 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c21 ZINC001205818212 813096392 /nfs/dbraw/zinc/09/63/92/813096392.db2.gz SOFLBCNWXFYSEB-WFASDCNBSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c21 ZINC001205818212 813096401 /nfs/dbraw/zinc/09/64/01/813096401.db2.gz SOFLBCNWXFYSEB-WFASDCNBSA-N 2 1 271.408 3.036 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895885 813121315 /nfs/dbraw/zinc/12/13/15/813121315.db2.gz OSXVVMNPTJHTKL-RBSFLKMASA-N 2 1 256.409 3.130 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895885 813121318 /nfs/dbraw/zinc/12/13/18/813121318.db2.gz OSXVVMNPTJHTKL-RBSFLKMASA-N 2 1 256.409 3.130 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC001205912736 813129590 /nfs/dbraw/zinc/12/95/90/813129590.db2.gz BWMMFIFMWTVPBL-DYVFJYSZSA-N 2 1 258.409 3.123 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205912903 813129659 /nfs/dbraw/zinc/12/96/59/813129659.db2.gz DURQEESVXPUNNG-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205917227 813132930 /nfs/dbraw/zinc/13/29/30/813132930.db2.gz XSEHEVDJGFSRTO-HOCLYGCPSA-N 2 1 260.425 3.117 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c2ccoc2ccc1F ZINC001205922957 813134145 /nfs/dbraw/zinc/13/41/45/813134145.db2.gz FLOIXXSMOPESSK-NEPJUHHUSA-N 2 1 276.355 3.131 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c2ccoc2ccc1F ZINC001205922957 813134150 /nfs/dbraw/zinc/13/41/50/813134150.db2.gz FLOIXXSMOPESSK-NEPJUHHUSA-N 2 1 276.355 3.131 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC001205982601 813151750 /nfs/dbraw/zinc/15/17/50/813151750.db2.gz MOGGEKKSNAKGDN-BFYDXBDKSA-N 2 1 260.425 3.097 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205991379 813154047 /nfs/dbraw/zinc/15/40/47/813154047.db2.gz ANFQPKVBTBTLHI-HOTGVXAUSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)CCC[C@@H]1C[NH3+] ZINC001205993165 813154745 /nfs/dbraw/zinc/15/47/45/813154745.db2.gz HKZDIPZHBLRTMT-GDBMZVCRSA-N 2 1 299.418 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205993443 813155418 /nfs/dbraw/zinc/15/54/18/813155418.db2.gz HPTWWLAIIXCNIH-TZMCWYRMSA-N 2 1 298.377 3.095 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)sc1C ZINC001206025397 813170685 /nfs/dbraw/zinc/17/06/85/813170685.db2.gz NVOSKDUJPSZSPI-GXTWGEPZSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c3ccoc3ccc2F)CCC[C@@H]1C[NH3+] ZINC001206036681 813175372 /nfs/dbraw/zinc/17/53/72/813175372.db2.gz NOPYPUZKMIPAFP-QWHCGFSZSA-N 2 1 290.382 3.379 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1cccc2ccccc21 ZINC001206052981 813182892 /nfs/dbraw/zinc/18/28/92/813182892.db2.gz BPRFISUJIJPENO-PMUMKWKESA-N 2 1 268.404 3.222 20 0 CGADMP C[C@@H]1C[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@H]1[NH3+] ZINC001206058865 813185761 /nfs/dbraw/zinc/18/57/61/813185761.db2.gz TZFWDYHMXVPRNZ-IUODEOHRSA-N 2 1 285.435 3.244 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@H]1[NH3+] ZINC001206058865 813185767 /nfs/dbraw/zinc/18/57/67/813185767.db2.gz TZFWDYHMXVPRNZ-IUODEOHRSA-N 2 1 285.435 3.244 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC001206110240 813202599 /nfs/dbraw/zinc/20/25/99/813202599.db2.gz QYNDNGCWQVYTIO-LSDHHAIUSA-N 2 1 272.436 3.200 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1C ZINC001206110506 813202923 /nfs/dbraw/zinc/20/29/23/813202923.db2.gz ZWWWGDKHTIMONB-HUUCEWRRSA-N 2 1 264.457 3.134 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206163218 813219598 /nfs/dbraw/zinc/21/95/98/813219598.db2.gz ASGKQBZZZGFTAO-IRXDYDNUSA-N 2 1 294.414 3.127 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206185911 813231827 /nfs/dbraw/zinc/23/18/27/813231827.db2.gz PFIPQHVQBIXULC-QZTJIDSGSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206185911 813231831 /nfs/dbraw/zinc/23/18/31/813231831.db2.gz PFIPQHVQBIXULC-QZTJIDSGSA-N 2 1 286.394 3.409 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)CC[C@H]1F ZINC001206199737 813236847 /nfs/dbraw/zinc/23/68/47/813236847.db2.gz PLZUDUCPKHVVDQ-SJORKVTESA-N 2 1 290.357 3.240 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c2ccccc12 ZINC001206257361 813258217 /nfs/dbraw/zinc/25/82/17/813258217.db2.gz BJYSTWVQWDLNNL-HNNXBMFYSA-N 2 1 268.404 3.332 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001206277011 813267106 /nfs/dbraw/zinc/26/71/06/813267106.db2.gz LFVXRCCRYGHEEG-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001206277011 813267109 /nfs/dbraw/zinc/26/71/09/813267109.db2.gz LFVXRCCRYGHEEG-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206286325 813272587 /nfs/dbraw/zinc/27/25/87/813272587.db2.gz SFCBYYZMHHKFQY-AWEZNQCLSA-N 2 1 290.451 3.132 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206286325 813272591 /nfs/dbraw/zinc/27/25/91/813272591.db2.gz SFCBYYZMHHKFQY-AWEZNQCLSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001206296427 813277037 /nfs/dbraw/zinc/27/70/37/813277037.db2.gz SUBWMDPNUSPTKQ-MRXNPFEDSA-N 2 1 252.446 3.408 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001206303615 813279985 /nfs/dbraw/zinc/27/99/85/813279985.db2.gz DXJWPRZTISLHPH-MRXNPFEDSA-N 2 1 298.377 3.239 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC001206305191 813282186 /nfs/dbraw/zinc/28/21/86/813282186.db2.gz VTFYCDRBHISPLS-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3cnccc32)CC1 ZINC001206311259 813284684 /nfs/dbraw/zinc/28/46/84/813284684.db2.gz LLBQHCKBLLDFIR-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)c[nH]c2c1 ZINC001206343548 813295251 /nfs/dbraw/zinc/29/52/51/813295251.db2.gz GLIYARPFBICQFN-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)c[nH]c2c1 ZINC001206343548 813295258 /nfs/dbraw/zinc/29/52/58/813295258.db2.gz GLIYARPFBICQFN-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542111 813345723 /nfs/dbraw/zinc/34/57/23/813345723.db2.gz ROTFHXYYADAWPT-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1F ZINC001206574198 813358934 /nfs/dbraw/zinc/35/89/34/813358934.db2.gz QKLGLTREAQXXLQ-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1F ZINC001206574198 813358939 /nfs/dbraw/zinc/35/89/39/813358939.db2.gz QKLGLTREAQXXLQ-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP CCOc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1F ZINC001206573891 813359104 /nfs/dbraw/zinc/35/91/04/813359104.db2.gz OSXFKSDOLRXUFG-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP CCOc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1F ZINC001206573891 813359106 /nfs/dbraw/zinc/35/91/06/813359106.db2.gz OSXFKSDOLRXUFG-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC001206584212 813364015 /nfs/dbraw/zinc/36/40/15/813364015.db2.gz XPRBZUNBESICQW-MRXNPFEDSA-N 2 1 278.415 3.487 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)oc1C ZINC001206583811 813364437 /nfs/dbraw/zinc/36/44/37/813364437.db2.gz WWCRUYGAHSUBRQ-HNNXBMFYSA-N 2 1 264.413 3.249 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206606147 813372997 /nfs/dbraw/zinc/37/29/97/813372997.db2.gz FPPZGMGSDUWKHF-HNNXBMFYSA-N 2 1 280.843 3.333 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206616867 813375450 /nfs/dbraw/zinc/37/54/50/813375450.db2.gz SDPKWPHVAJCLRB-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206616867 813375458 /nfs/dbraw/zinc/37/54/58/813375458.db2.gz SDPKWPHVAJCLRB-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206616517 813376185 /nfs/dbraw/zinc/37/61/85/813376185.db2.gz PTEOZNAYNFIRAU-CQSZACIVSA-N 2 1 271.408 3.037 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1CC ZINC001206767386 813429811 /nfs/dbraw/zinc/42/98/11/813429811.db2.gz AEZHTODDBDPZOQ-GOEBONIOSA-N 2 1 290.451 3.207 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206769240 813432300 /nfs/dbraw/zinc/43/23/00/813432300.db2.gz NNPYUOUDYJXUIY-JSGCOSHPSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206769240 813432304 /nfs/dbraw/zinc/43/23/04/813432304.db2.gz NNPYUOUDYJXUIY-JSGCOSHPSA-N 2 1 296.842 3.298 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206805228 813441944 /nfs/dbraw/zinc/44/19/44/813441944.db2.gz AZQFQCWSGANNHD-KGLIPLIRSA-N 2 1 264.388 3.002 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCC(C)=C[C@@H]1C ZINC001208171385 813725841 /nfs/dbraw/zinc/72/58/41/813725841.db2.gz WNNFAZIMADPOHE-HOTGVXAUSA-N 2 1 252.446 3.252 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)C(F)(F)CC2)CC1 ZINC001208593734 813769057 /nfs/dbraw/zinc/76/90/57/813769057.db2.gz ZUCBFFLOAKVQFL-ZDUSSCGKSA-N 2 1 274.399 3.086 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612655 813773052 /nfs/dbraw/zinc/77/30/52/813773052.db2.gz MYYNSJZJPMKPRG-ZBFHGGJFSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612655 813773060 /nfs/dbraw/zinc/77/30/60/813773060.db2.gz MYYNSJZJPMKPRG-ZBFHGGJFSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612655 813773067 /nfs/dbraw/zinc/77/30/67/813773067.db2.gz MYYNSJZJPMKPRG-ZBFHGGJFSA-N 2 1 292.854 3.471 20 0 CGADMP Clc1ccc(CC[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001208742388 813832838 /nfs/dbraw/zinc/83/28/38/813832838.db2.gz ODIISZQRSUXPFF-UHFFFAOYSA-N 2 1 278.827 3.053 20 0 CGADMP CC[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC001208930695 813902810 /nfs/dbraw/zinc/90/28/10/813902810.db2.gz CRLLRERHPAJVHA-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP CC[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC001208930695 813902816 /nfs/dbraw/zinc/90/28/16/813902816.db2.gz CRLLRERHPAJVHA-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP CC[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC001208930695 813902817 /nfs/dbraw/zinc/90/28/17/813902817.db2.gz CRLLRERHPAJVHA-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP CC[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001208930695 813902823 /nfs/dbraw/zinc/90/28/23/813902823.db2.gz CRLLRERHPAJVHA-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@]1(CF)CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940356 813902868 /nfs/dbraw/zinc/90/28/68/813902868.db2.gz BUVIOLMYCUWZJX-ROUUACIJSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@@]1(CF)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940356 813902874 /nfs/dbraw/zinc/90/28/74/813902874.db2.gz BUVIOLMYCUWZJX-ROUUACIJSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@@]1(CF)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940356 813902880 /nfs/dbraw/zinc/90/28/80/813902880.db2.gz BUVIOLMYCUWZJX-ROUUACIJSA-N 2 1 290.426 3.190 20 0 CGADMP O=C1CCC2(CC1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209453165 814047159 /nfs/dbraw/zinc/04/71/59/814047159.db2.gz ZKOUAEPXHMSPIT-UHFFFAOYSA-N 2 1 292.467 3.088 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210495682 814490338 /nfs/dbraw/zinc/49/03/38/814490338.db2.gz AAZMOLNIVHJYQT-OAHLLOKOSA-N 2 1 260.425 3.213 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210495682 814490340 /nfs/dbraw/zinc/49/03/40/814490340.db2.gz AAZMOLNIVHJYQT-OAHLLOKOSA-N 2 1 260.425 3.213 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)CCC1(F)F ZINC001210561500 814526907 /nfs/dbraw/zinc/52/69/07/814526907.db2.gz NKAYLWFYQTYGHU-UHFFFAOYSA-N 2 1 294.389 3.200 20 0 CGADMP Fc1ccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001222141156 816357321 /nfs/dbraw/zinc/35/73/21/816357321.db2.gz GLEBMRFJPXHWPQ-MRXNPFEDSA-N 2 1 296.817 3.097 20 0 CGADMP Fc1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001222141156 816357329 /nfs/dbraw/zinc/35/73/29/816357329.db2.gz GLEBMRFJPXHWPQ-MRXNPFEDSA-N 2 1 296.817 3.097 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141737 816357745 /nfs/dbraw/zinc/35/77/45/816357745.db2.gz ROIHBCYZMKAQAM-QGZVFWFLSA-N 2 1 292.854 3.348 20 0 CGADMP c1cc2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2o1 ZINC001222153868 816361550 /nfs/dbraw/zinc/36/15/50/816361550.db2.gz BSWZJPMOYDHIBU-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222153895 816361617 /nfs/dbraw/zinc/36/16/17/816361617.db2.gz CFYPEFNSWJHZKH-KRWDZBQOSA-N 2 1 290.476 3.292 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222153895 816361624 /nfs/dbraw/zinc/36/16/24/816361624.db2.gz CFYPEFNSWJHZKH-KRWDZBQOSA-N 2 1 290.476 3.292 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222160268 816364552 /nfs/dbraw/zinc/36/45/52/816364552.db2.gz DLZSZQMDVHISAW-INIZCTEOSA-N 2 1 278.465 3.494 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@]23CCC[NH2+]C3)C1(C)C ZINC001222191797 816371997 /nfs/dbraw/zinc/37/19/97/816371997.db2.gz PCFXXFNHSQGATN-WBVHZDCISA-N 2 1 262.441 3.197 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@]23CCC[NH2+]C3)C1(C)C ZINC001222191797 816372002 /nfs/dbraw/zinc/37/20/02/816372002.db2.gz PCFXXFNHSQGATN-WBVHZDCISA-N 2 1 262.441 3.197 20 0 CGADMP CCc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222293616 816399734 /nfs/dbraw/zinc/39/97/34/816399734.db2.gz YYFVORZGGSCJGT-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222309247 816403735 /nfs/dbraw/zinc/40/37/35/816403735.db2.gz OXESIVURSVQLFB-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1C ZINC001222309766 816405046 /nfs/dbraw/zinc/40/50/46/816405046.db2.gz RIKWINFIRSQTGP-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP COc1ccc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222320107 816408459 /nfs/dbraw/zinc/40/84/59/816408459.db2.gz ACTGZWDRWYGXHA-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP C[C@H](C[NH+]1CC2(C1)CC[NH2+]C2)c1cccc2ccccc21 ZINC001222379942 816423107 /nfs/dbraw/zinc/42/31/07/816423107.db2.gz PGOMMCUEQAZWRE-OAHLLOKOSA-N 2 1 280.415 3.239 20 0 CGADMP CC1(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCCCC1 ZINC001222420416 816440174 /nfs/dbraw/zinc/44/01/74/816440174.db2.gz CSMMBNGNUFSOIC-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465482 816451457 /nfs/dbraw/zinc/45/14/57/816451457.db2.gz RXICRAHHJYBLIO-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465482 816451458 /nfs/dbraw/zinc/45/14/58/816451458.db2.gz RXICRAHHJYBLIO-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1(C)C ZINC001222465573 816451604 /nfs/dbraw/zinc/45/16/04/816451604.db2.gz VGEWJQQLBJAMFL-DOTOQJQBSA-N 2 1 262.441 3.197 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1(C)C ZINC001222465573 816451606 /nfs/dbraw/zinc/45/16/06/816451606.db2.gz VGEWJQQLBJAMFL-DOTOQJQBSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)CCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596388 816474625 /nfs/dbraw/zinc/47/46/25/816474625.db2.gz VLMWGYXMERAOQA-KRWDZBQOSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cc2)o1 ZINC001222620380 816478854 /nfs/dbraw/zinc/47/88/54/816478854.db2.gz PMXPWLKWHCXCPA-ZWKOTPCHSA-N 2 1 296.414 3.439 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)ccc2c1 ZINC001222620346 816479576 /nfs/dbraw/zinc/47/95/76/816479576.db2.gz NYGKXMOHHMIUQM-PKOBYXMFSA-N 2 1 296.414 3.032 20 0 CGADMP CCOC(=[NH2+])CCCCO[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001224964706 816918807 /nfs/dbraw/zinc/91/88/07/816918807.db2.gz BQFAURHFDYYGES-AWEZNQCLSA-N 2 1 270.417 3.060 20 0 CGADMP CCOC(=[NH2+])CCCCO[C@H]1CCC[N@H+](C(C)C)C1 ZINC001224964706 816918811 /nfs/dbraw/zinc/91/88/11/816918811.db2.gz BQFAURHFDYYGES-AWEZNQCLSA-N 2 1 270.417 3.060 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CCC[NH2+]3)CC2)CC1 ZINC001226784754 817462605 /nfs/dbraw/zinc/46/26/05/817462605.db2.gz MUQGQTLWZHSGIE-HZPDHXFCSA-N 2 1 262.441 3.197 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(C)nc(C)c2)CC1 ZINC001232002413 818229803 /nfs/dbraw/zinc/22/98/03/818229803.db2.gz CRDHZWKPVNEADH-UHFFFAOYSA-N 2 1 289.467 3.395 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C)nc(C)c2)CC1 ZINC001232002413 818229805 /nfs/dbraw/zinc/22/98/05/818229805.db2.gz CRDHZWKPVNEADH-UHFFFAOYSA-N 2 1 289.467 3.395 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001232015386 818234044 /nfs/dbraw/zinc/23/40/44/818234044.db2.gz GEIVTMZIZDJDQK-BLLLJJGKSA-N 2 1 255.365 3.327 20 0 CGADMP Cc1cc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)sn1 ZINC001233312899 818574715 /nfs/dbraw/zinc/57/47/15/818574715.db2.gz SEUMZNIHAGNTJI-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)sn1 ZINC001233312899 818574722 /nfs/dbraw/zinc/57/47/22/818574722.db2.gz SEUMZNIHAGNTJI-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)sn1 ZINC001233312899 818574729 /nfs/dbraw/zinc/57/47/29/818574729.db2.gz SEUMZNIHAGNTJI-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)sn1 ZINC001233312899 818574736 /nfs/dbraw/zinc/57/47/36/818574736.db2.gz SEUMZNIHAGNTJI-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)sn1 ZINC001233312899 818574743 /nfs/dbraw/zinc/57/47/43/818574743.db2.gz SEUMZNIHAGNTJI-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234993403 818971258 /nfs/dbraw/zinc/97/12/58/818971258.db2.gz NNLNTWIORKELMM-DLBZAZTESA-N 2 1 264.457 3.444 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c[nH]c21 ZINC001234993480 818971962 /nfs/dbraw/zinc/97/19/62/818971962.db2.gz PTQPGLFKCALWCX-LJQANCHMSA-N 2 1 297.446 3.306 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016847 818980258 /nfs/dbraw/zinc/98/02/58/818980258.db2.gz IUXPAFMNBNUTCR-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016847 818980264 /nfs/dbraw/zinc/98/02/64/818980264.db2.gz IUXPAFMNBNUTCR-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235029986 818981869 /nfs/dbraw/zinc/98/18/69/818981869.db2.gz DEYKKOQVPJXCAQ-HYVNUMGLSA-N 2 1 290.838 3.129 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235034525 818984427 /nfs/dbraw/zinc/98/44/27/818984427.db2.gz ZTFCBJJVVLXUMY-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235034525 818984434 /nfs/dbraw/zinc/98/44/34/818984434.db2.gz ZTFCBJJVVLXUMY-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC001235035692 818986770 /nfs/dbraw/zinc/98/67/70/818986770.db2.gz HIKZBVHLRRXTMP-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC001235035692 818986775 /nfs/dbraw/zinc/98/67/75/818986775.db2.gz HIKZBVHLRRXTMP-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112144 819006790 /nfs/dbraw/zinc/00/67/90/819006790.db2.gz WUQLTUCPMKIZIR-MJSXRHKHSA-N 2 1 250.430 3.341 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112144 819006794 /nfs/dbraw/zinc/00/67/94/819006794.db2.gz WUQLTUCPMKIZIR-MJSXRHKHSA-N 2 1 250.430 3.341 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235123531 819011669 /nfs/dbraw/zinc/01/16/69/819011669.db2.gz KFYLXMJKXBVIDO-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125055 819012626 /nfs/dbraw/zinc/01/26/26/819012626.db2.gz NCSIAWVDAUWZNY-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125055 819012630 /nfs/dbraw/zinc/01/26/30/819012630.db2.gz NCSIAWVDAUWZNY-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP CC1(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)CCCCC1 ZINC001235125273 819012636 /nfs/dbraw/zinc/01/26/36/819012636.db2.gz OLFXWWZCSJVYKV-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCCC34CC[NH2+]CC4)cc21 ZINC001235139748 819015055 /nfs/dbraw/zinc/01/50/55/819015055.db2.gz CWZGLKWNTPFVDM-UHFFFAOYSA-N 2 1 297.446 3.379 20 0 CGADMP C(C1CCCC1)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155488 819018299 /nfs/dbraw/zinc/01/82/99/819018299.db2.gz YKGMMZFWBQJWPG-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235187412 819027171 /nfs/dbraw/zinc/02/71/71/819027171.db2.gz XLJMRSHDRIPYBG-JNXQLMTMSA-N 2 1 250.430 3.054 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235184803 819028040 /nfs/dbraw/zinc/02/80/40/819028040.db2.gz OLMUNBLMBQCUOC-HIFRSBDPSA-N 2 1 284.378 3.020 20 0 CGADMP Clc1ccc(CC[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190443 819029997 /nfs/dbraw/zinc/02/99/97/819029997.db2.gz IGBRVLOJSDMHPA-UHFFFAOYSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235209991 819036664 /nfs/dbraw/zinc/03/66/64/819036664.db2.gz HMSWQJJQUWXWEI-BWTSREIZSA-N 2 1 278.399 3.051 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235240990 819045140 /nfs/dbraw/zinc/04/51/40/819045140.db2.gz OWEKYEBHBVKNAK-JGPFYOFESA-N 2 1 250.430 3.326 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235253209 819050074 /nfs/dbraw/zinc/05/00/74/819050074.db2.gz CLFCROJYXAJSJG-JHNDHUHGSA-N 2 1 290.838 3.127 20 0 CGADMP c1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254343 819050609 /nfs/dbraw/zinc/05/06/09/819050609.db2.gz BDKNZKMAFSBRFF-MJGOQNOKSA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254343 819050616 /nfs/dbraw/zinc/05/06/16/819050616.db2.gz BDKNZKMAFSBRFF-MJGOQNOKSA-N 2 1 278.399 3.147 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254041 819051308 /nfs/dbraw/zinc/05/13/08/819051308.db2.gz APNQCZIKKZUHDO-QFBILLFUSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254041 819051316 /nfs/dbraw/zinc/05/13/16/819051316.db2.gz APNQCZIKKZUHDO-QFBILLFUSA-N 2 1 296.389 3.286 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235254572 819051751 /nfs/dbraw/zinc/05/17/51/819051751.db2.gz JZLJNGANKRASOR-VGWMRTNUSA-N 2 1 250.430 3.181 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235273369 819059177 /nfs/dbraw/zinc/05/91/77/819059177.db2.gz RNDYUVDTCPAWHH-ZFWWWQNUSA-N 2 1 286.444 3.394 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235272857 819059825 /nfs/dbraw/zinc/05/98/25/819059825.db2.gz RCLDISNREYIPNZ-MSOLQXFVSA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235340476 819072697 /nfs/dbraw/zinc/07/26/97/819072697.db2.gz JSQWGBCNZZMJPX-OAHLLOKOSA-N 2 1 272.436 3.025 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)s1 ZINC001235406228 819087911 /nfs/dbraw/zinc/08/79/11/819087911.db2.gz QJQTWVUQGSBPBN-HZPDHXFCSA-N 2 1 296.455 3.224 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)s1 ZINC001235406228 819087919 /nfs/dbraw/zinc/08/79/19/819087919.db2.gz QJQTWVUQGSBPBN-HZPDHXFCSA-N 2 1 296.455 3.224 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235420681 819091555 /nfs/dbraw/zinc/09/15/55/819091555.db2.gz AGFKPHUEHBHBQI-HOTGVXAUSA-N 2 1 290.426 3.346 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001235435260 819098553 /nfs/dbraw/zinc/09/85/53/819098553.db2.gz FQTLCPSGTMOKCJ-UHFFFAOYSA-N 2 1 288.366 3.399 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001235446603 819101489 /nfs/dbraw/zinc/10/14/89/819101489.db2.gz YVGRHDXJDUGODD-RDJZCZTQSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001235446603 819101491 /nfs/dbraw/zinc/10/14/91/819101491.db2.gz YVGRHDXJDUGODD-RDJZCZTQSA-N 2 1 258.409 3.274 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235660974 819132657 /nfs/dbraw/zinc/13/26/57/819132657.db2.gz JJLWXXLBIYOCEJ-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001235673245 819133618 /nfs/dbraw/zinc/13/36/18/819133618.db2.gz NBICXFRLEGWUSH-KRWDZBQOSA-N 2 1 260.425 3.070 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC001235674498 819135085 /nfs/dbraw/zinc/13/50/85/819135085.db2.gz UDBSNUOVIZPGFY-ZDUSSCGKSA-N 2 1 266.454 3.261 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235675310 819135856 /nfs/dbraw/zinc/13/58/56/819135856.db2.gz VNRVEKUYMYOSRL-OALUTQOASA-N 2 1 286.463 3.331 20 0 CGADMP COCC[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001235687978 819141274 /nfs/dbraw/zinc/14/12/74/819141274.db2.gz LFBXDUNKHHCTQM-QGZVFWFLSA-N 2 1 282.472 3.190 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(Cl)c1F ZINC001235716709 819149833 /nfs/dbraw/zinc/14/98/33/819149833.db2.gz HIXRKSJQKKTMCN-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC001235715986 819150659 /nfs/dbraw/zinc/15/06/59/819150659.db2.gz ZRTCILVMAWMFOB-WBVHZDCISA-N 2 1 264.457 3.300 20 0 CGADMP CCOc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1F ZINC001235718324 819151716 /nfs/dbraw/zinc/15/17/16/819151716.db2.gz YDOGAAZSPSGBHY-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1CCc1ccccc1 ZINC001235723906 819152186 /nfs/dbraw/zinc/15/21/86/819152186.db2.gz DNQZTCDUXLUERP-FQEVSTJZSA-N 2 1 294.442 3.395 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccccc1CCc1ccccc1 ZINC001235723906 819152191 /nfs/dbraw/zinc/15/21/91/819152191.db2.gz DNQZTCDUXLUERP-FQEVSTJZSA-N 2 1 294.442 3.395 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2ccc(OC)c3ccccc23)CC1 ZINC001235725682 819153673 /nfs/dbraw/zinc/15/36/73/819153673.db2.gz MLANDNDTUNAWHO-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2ccccc2-n2cccc2)CC1 ZINC001235727415 819154501 /nfs/dbraw/zinc/15/45/01/819154501.db2.gz WWLWAGNOIWIWRP-UHFFFAOYSA-N 2 1 283.419 3.051 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001235727985 819155653 /nfs/dbraw/zinc/15/56/53/819155653.db2.gz WPFGKDFQTANBDB-AWEZNQCLSA-N 2 1 264.388 3.134 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC001235748867 819160343 /nfs/dbraw/zinc/16/03/43/819160343.db2.gz DTJATHNUINSSTL-KRWDZBQOSA-N 2 1 280.415 3.443 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001235761300 819161744 /nfs/dbraw/zinc/16/17/44/819161744.db2.gz SMQHDCFWOPSOQO-HNNXBMFYSA-N 2 1 264.457 3.443 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918723 819221046 /nfs/dbraw/zinc/22/10/46/819221046.db2.gz JPTSVKLZTXRSCC-TZMCWYRMSA-N 2 1 286.341 3.232 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918723 819221053 /nfs/dbraw/zinc/22/10/53/819221053.db2.gz JPTSVKLZTXRSCC-TZMCWYRMSA-N 2 1 286.341 3.232 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925601 819224695 /nfs/dbraw/zinc/22/46/95/819224695.db2.gz WVHBOWCTIMVLON-CVEARBPZSA-N 2 1 284.488 3.421 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925602 819225339 /nfs/dbraw/zinc/22/53/39/819225339.db2.gz WVHBOWCTIMVLON-HOTGVXAUSA-N 2 1 284.488 3.421 20 0 CGADMP Clc1cccc(Cl)c1CC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929743 819228446 /nfs/dbraw/zinc/22/84/46/819228446.db2.gz RTUPNDYTOATRIQ-VXGBXAGGSA-N 2 1 299.245 3.077 20 0 CGADMP Clc1cccc(Cl)c1CC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929743 819228454 /nfs/dbraw/zinc/22/84/54/819228454.db2.gz RTUPNDYTOATRIQ-VXGBXAGGSA-N 2 1 299.245 3.077 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235938875 819233213 /nfs/dbraw/zinc/23/32/13/819233213.db2.gz MECHKJLAKXMLLQ-UXHICEINSA-N 2 1 292.426 3.395 20 0 CGADMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cccc1C(F)(F)F ZINC001235941608 819233840 /nfs/dbraw/zinc/23/38/40/819233840.db2.gz WEIMWQPNRKOXFN-KBPBESRZSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cccc1C(F)(F)F ZINC001235941608 819233845 /nfs/dbraw/zinc/23/38/45/819233845.db2.gz WEIMWQPNRKOXFN-KBPBESRZSA-N 2 1 298.352 3.055 20 0 CGADMP c1csc(-c2ccccc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235939306 819233856 /nfs/dbraw/zinc/23/38/56/819233856.db2.gz OXCNSUFEGDBTCF-HOCLYGCPSA-N 2 1 298.455 3.456 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235941029 819234775 /nfs/dbraw/zinc/23/47/75/819234775.db2.gz ULLQTBNLVVMSTI-UONOGXRCSA-N 2 1 286.444 3.251 20 0 CGADMP [NH3+]CCCC[N@H+]1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001235946625 819236228 /nfs/dbraw/zinc/23/62/28/819236228.db2.gz NKHCMAMYJOOXPM-CQSZACIVSA-N 2 1 284.856 3.169 20 0 CGADMP COc1ccc(C[N@H+](CC[NH3+])C(C)C)c2ccccc12 ZINC001235947945 819237411 /nfs/dbraw/zinc/23/74/11/819237411.db2.gz IQCYDNUPZXGSRR-UHFFFAOYSA-N 2 1 272.392 3.018 20 0 CGADMP COc1ccc(C[N@@H+](CC[NH3+])C(C)C)c2ccccc12 ZINC001235947945 819237416 /nfs/dbraw/zinc/23/74/16/819237416.db2.gz IQCYDNUPZXGSRR-UHFFFAOYSA-N 2 1 272.392 3.018 20 0 CGADMP Cc1cccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1OC(C)C ZINC001235956744 819244767 /nfs/dbraw/zinc/24/47/67/819244767.db2.gz HBCMGDLWEREFKZ-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1OC(C)C ZINC001235956744 819244772 /nfs/dbraw/zinc/24/47/72/819244772.db2.gz HBCMGDLWEREFKZ-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc3ccsc3c1)C2 ZINC001235958658 819246078 /nfs/dbraw/zinc/24/60/78/819246078.db2.gz AHEWWRMPTIDGOK-MIFYACCESA-N 2 1 272.417 3.070 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235976646 819257082 /nfs/dbraw/zinc/25/70/82/819257082.db2.gz BHDZWMMIEPDZIK-HFZJXRFXSA-N 2 1 250.430 3.326 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985852 819260428 /nfs/dbraw/zinc/26/04/28/819260428.db2.gz DFZZOMZTEYTJLW-IEBWSBKVSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985852 819260431 /nfs/dbraw/zinc/26/04/31/819260431.db2.gz DFZZOMZTEYTJLW-IEBWSBKVSA-N 2 1 296.389 3.416 20 0 CGADMP CC[N@H+](Cc1ccc(O)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001236005681 819270185 /nfs/dbraw/zinc/27/01/85/819270185.db2.gz LWKVHKXUGDVOKX-HNNXBMFYSA-N 2 1 284.403 3.119 20 0 CGADMP CC[N@@H+](Cc1ccc(O)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001236005681 819270189 /nfs/dbraw/zinc/27/01/89/819270189.db2.gz LWKVHKXUGDVOKX-HNNXBMFYSA-N 2 1 284.403 3.119 20 0 CGADMP CC[N@H+](Cc1cccc2nccc(C)c12)[C@@H]1CCC[NH2+]C1 ZINC001236008695 819273006 /nfs/dbraw/zinc/27/30/06/819273006.db2.gz ISTPZRULKXLRCE-MRXNPFEDSA-N 2 1 283.419 3.117 20 0 CGADMP CC[N@@H+](Cc1cccc2nccc(C)c12)[C@@H]1CCC[NH2+]C1 ZINC001236008695 819273014 /nfs/dbraw/zinc/27/30/14/819273014.db2.gz ISTPZRULKXLRCE-MRXNPFEDSA-N 2 1 283.419 3.117 20 0 CGADMP CC[N@H+](Cc1ccccc1-c1ccncc1)[C@H]1CCC[NH2+]C1 ZINC001236010931 819274343 /nfs/dbraw/zinc/27/43/43/819274343.db2.gz ULZKQVZSVCUBGG-SFHVURJKSA-N 2 1 295.430 3.323 20 0 CGADMP CC[N@@H+](Cc1ccccc1-c1ccncc1)[C@H]1CCC[NH2+]C1 ZINC001236010931 819274346 /nfs/dbraw/zinc/27/43/46/819274346.db2.gz ULZKQVZSVCUBGG-SFHVURJKSA-N 2 1 295.430 3.323 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)c3ccccc23)C1 ZINC001236068284 819298509 /nfs/dbraw/zinc/29/85/09/819298509.db2.gz XOLUXFNFDLWPHJ-OAHLLOKOSA-N 2 1 268.404 3.190 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CCC[NH2+]1 ZINC001236100041 819318060 /nfs/dbraw/zinc/31/80/60/819318060.db2.gz BBLJSLHZYDEIDJ-AWEZNQCLSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCC[NH2+]1 ZINC001236100041 819318067 /nfs/dbraw/zinc/31/80/67/819318067.db2.gz BBLJSLHZYDEIDJ-AWEZNQCLSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)C2(CC2)C1 ZINC001236154238 819348761 /nfs/dbraw/zinc/34/87/61/819348761.db2.gz NRZYVQKGJIJTEJ-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)C1CC[NH2+]CC1 ZINC001236184334 819359269 /nfs/dbraw/zinc/35/92/69/819359269.db2.gz IRJYUSUYHNEEJF-UHFFFAOYSA-N 2 1 277.456 3.276 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236181770 819360796 /nfs/dbraw/zinc/36/07/96/819360796.db2.gz FDFANFHPNYQDLF-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236181770 819360802 /nfs/dbraw/zinc/36/08/02/819360802.db2.gz FDFANFHPNYQDLF-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236211054 819372793 /nfs/dbraw/zinc/37/27/93/819372793.db2.gz GOIGNAOEBXDPSJ-IRXDYDNUSA-N 2 1 276.424 3.176 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236211054 819372796 /nfs/dbraw/zinc/37/27/96/819372796.db2.gz GOIGNAOEBXDPSJ-IRXDYDNUSA-N 2 1 276.424 3.176 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211816 819375006 /nfs/dbraw/zinc/37/50/06/819375006.db2.gz JJUYABBKCTZWLU-GDBMZVCRSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211816 819375011 /nfs/dbraw/zinc/37/50/11/819375011.db2.gz JJUYABBKCTZWLU-GDBMZVCRSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@H+](Cc1cc(F)cc2cc[nH]c21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215433 819378116 /nfs/dbraw/zinc/37/81/16/819378116.db2.gz HZURCWXXMXYPHF-LSDHHAIUSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1cc(F)cc2cc[nH]c21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215433 819378124 /nfs/dbraw/zinc/37/81/24/819378124.db2.gz HZURCWXXMXYPHF-LSDHHAIUSA-N 2 1 275.371 3.009 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215692 819379893 /nfs/dbraw/zinc/37/98/93/819379893.db2.gz IDMFLGYUKMLUID-AEFFLSMTSA-N 2 1 285.435 3.363 20 0 CGADMP CSc1cc(C)cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236217592 819383142 /nfs/dbraw/zinc/38/31/42/819383142.db2.gz QARRLDMIJPQUFU-CVEARBPZSA-N 2 1 278.465 3.419 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236217592 819383146 /nfs/dbraw/zinc/38/31/46/819383146.db2.gz QARRLDMIJPQUFU-CVEARBPZSA-N 2 1 278.465 3.419 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220178 819386963 /nfs/dbraw/zinc/38/69/63/819386963.db2.gz YLULBIQXZPUQCE-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220178 819386966 /nfs/dbraw/zinc/38/69/66/819386966.db2.gz YLULBIQXZPUQCE-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236224791 819391667 /nfs/dbraw/zinc/39/16/67/819391667.db2.gz XESGMQZGCIKVTG-QAQDUYKDSA-N 2 1 290.451 3.423 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1F)CC1(C)CC[NH2+]CC1 ZINC001236239173 819398685 /nfs/dbraw/zinc/39/86/85/819398685.db2.gz BDKPQEFUYSLFKN-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CCC[NH2+]CCC1 ZINC001236241644 819401645 /nfs/dbraw/zinc/40/16/45/819401645.db2.gz TZFPKIMLSIIJSO-UHFFFAOYSA-N 2 1 266.816 3.142 20 0 CGADMP Clc1ccc(CCC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314472 819420769 /nfs/dbraw/zinc/42/07/69/819420769.db2.gz NXALRSNMIDCDGP-IYBDPMFKSA-N 2 1 292.854 3.204 20 0 CGADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236315004 819421220 /nfs/dbraw/zinc/42/12/20/819421220.db2.gz UPAICMTVYIKHSQ-OKILXGFUSA-N 2 1 298.352 3.137 20 0 CGADMP COCC[N@H+](CC[C@H](C)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001236329736 819427697 /nfs/dbraw/zinc/42/76/97/819427697.db2.gz STQBJSAWTZFNCM-HOTGVXAUSA-N 2 1 284.488 3.149 20 0 CGADMP COCC[N@@H+](CC[C@H](C)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001236329736 819427703 /nfs/dbraw/zinc/42/77/03/819427703.db2.gz STQBJSAWTZFNCM-HOTGVXAUSA-N 2 1 284.488 3.149 20 0 CGADMP CC[N@@H+](Cc1cc(Cl)ccc1SC)C[C@H]1CC[NH2+]C1 ZINC001236409556 819455517 /nfs/dbraw/zinc/45/55/17/819455517.db2.gz BNVLTWHKABSOKY-LBPRGKRZSA-N 2 1 298.883 3.493 20 0 CGADMP CC[N@H+](Cc1cc(Cl)ccc1SC)C[C@H]1CC[NH2+]C1 ZINC001236409556 819455520 /nfs/dbraw/zinc/45/55/20/819455520.db2.gz BNVLTWHKABSOKY-LBPRGKRZSA-N 2 1 298.883 3.493 20 0 CGADMP COc1cccc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236411897 819458622 /nfs/dbraw/zinc/45/86/22/819458622.db2.gz QDOPPUXIOOKPOP-IRXDYDNUSA-N 2 1 288.435 3.017 20 0 CGADMP CC[N@H+](Cc1cc(C)c(Cl)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236412376 819458801 /nfs/dbraw/zinc/45/88/01/819458801.db2.gz TWKMQLKPOKWLLG-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236412359 819459003 /nfs/dbraw/zinc/45/90/03/819459003.db2.gz SVOBAVVPEMWZKM-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP CC[N@H+](Cc1ccc(F)cc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236412359 819459007 /nfs/dbraw/zinc/45/90/07/819459007.db2.gz SVOBAVVPEMWZKM-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP CC[N@H+](Cc1cccc(C(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236412659 819459081 /nfs/dbraw/zinc/45/90/81/819459081.db2.gz XDQPQMRZYVJFPQ-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c2ccccc12 ZINC001236420823 819466917 /nfs/dbraw/zinc/46/69/17/819466917.db2.gz OLOUDXJNLGMPJV-KBXCAEBGSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c2ccccc12 ZINC001236420823 819466920 /nfs/dbraw/zinc/46/69/20/819466920.db2.gz OLOUDXJNLGMPJV-KBXCAEBGSA-N 2 1 268.404 3.460 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236435799 819478623 /nfs/dbraw/zinc/47/86/23/819478623.db2.gz VZRIWHTZISJWGV-GOSISDBHSA-N 2 1 284.378 3.226 20 0 CGADMP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236435799 819478628 /nfs/dbraw/zinc/47/86/28/819478628.db2.gz VZRIWHTZISJWGV-GOSISDBHSA-N 2 1 284.378 3.226 20 0 CGADMP CC(C)(C)C[N@@H+](CCc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236457416 819486165 /nfs/dbraw/zinc/48/61/65/819486165.db2.gz KLOMXZUHVAKRHL-UHFFFAOYSA-N 2 1 292.442 3.468 20 0 CGADMP CC(C)C[N@H+](Cc1cncc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236477646 819495513 /nfs/dbraw/zinc/49/55/13/819495513.db2.gz IOSGEXNTYOJKCV-GOSISDBHSA-N 2 1 297.446 3.445 20 0 CGADMP CC(C)C[N@@H+](Cc1cncc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236477646 819495518 /nfs/dbraw/zinc/49/55/18/819495518.db2.gz IOSGEXNTYOJKCV-GOSISDBHSA-N 2 1 297.446 3.445 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](CC1CC1)C1CC[NH2+]CC1 ZINC001236509111 819507681 /nfs/dbraw/zinc/50/76/81/819507681.db2.gz GGSJPRWRXMJLKJ-UHFFFAOYSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc(C[N@@H+](CCCCC[NH3+])C2CC2)c1C ZINC001236535567 819526775 /nfs/dbraw/zinc/52/67/75/819526775.db2.gz XFLDQJVVQRPBEX-UHFFFAOYSA-N 2 1 260.425 3.397 20 0 CGADMP Fc1ccc(CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236584853 819545676 /nfs/dbraw/zinc/54/56/76/819545676.db2.gz WKXJKNFPFXCRGO-MRXNPFEDSA-N 2 1 290.426 3.222 20 0 CGADMP Oc1cc(Cl)cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599149 819548654 /nfs/dbraw/zinc/54/86/54/819548654.db2.gz RKFLYHZUMSKCHC-LBPRGKRZSA-N 2 1 294.826 3.010 20 0 CGADMP Oc1cc(Cl)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599149 819548659 /nfs/dbraw/zinc/54/86/59/819548659.db2.gz RKFLYHZUMSKCHC-LBPRGKRZSA-N 2 1 294.826 3.010 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001236616856 819553237 /nfs/dbraw/zinc/55/32/37/819553237.db2.gz QMLVOCWTAHEZMK-OAHLLOKOSA-N 2 1 266.816 3.073 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001236616856 819553244 /nfs/dbraw/zinc/55/32/44/819553244.db2.gz QMLVOCWTAHEZMK-OAHLLOKOSA-N 2 1 266.816 3.073 20 0 CGADMP Cc1c(F)cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1F ZINC001236636343 819556356 /nfs/dbraw/zinc/55/63/56/819556356.db2.gz CYOQVHHOTRYAAO-UHFFFAOYSA-N 2 1 294.389 3.380 20 0 CGADMP Cc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(C)s1 ZINC001236634443 819556518 /nfs/dbraw/zinc/55/65/18/819556518.db2.gz SPXKCLVNSIDGKG-UHFFFAOYSA-N 2 1 278.465 3.471 20 0 CGADMP c1ccc(C2(C[N@@H+](C3CCC3)C3CC[NH2+]CC3)CC2)cc1 ZINC001236634002 819557147 /nfs/dbraw/zinc/55/71/47/819557147.db2.gz NZMUDMMBVKNOLJ-UHFFFAOYSA-N 2 1 284.447 3.325 20 0 CGADMP CC(C)(C)C[N@@H+](CCC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769463 819591475 /nfs/dbraw/zinc/59/14/75/819591475.db2.gz VVTHZTNLNWWJIG-SHTZXODSSA-N 2 1 252.446 3.405 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1(C)C ZINC001236818240 819606442 /nfs/dbraw/zinc/60/64/42/819606442.db2.gz HHFAJLDRWVEIQS-XUWVNRHRSA-N 2 1 262.441 3.038 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236821529 819608191 /nfs/dbraw/zinc/60/81/91/819608191.db2.gz VJISMUCPVUUWIG-VGWMRTNUSA-N 2 1 250.430 3.038 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236821662 819608263 /nfs/dbraw/zinc/60/82/63/819608263.db2.gz WBWXEXAWWXPBJU-DOALTHTJSA-N 2 1 250.430 3.182 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236834182 819613578 /nfs/dbraw/zinc/61/35/78/819613578.db2.gz FCQBOYCHQVKLGG-CYBMUJFWSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1ccc(C(C)(C)C)[nH]1)C[C@@H]1CC[NH2+]C1 ZINC001236834854 819614934 /nfs/dbraw/zinc/61/49/34/819614934.db2.gz JASWIOBEKIXTDA-CQSZACIVSA-N 2 1 277.456 3.134 20 0 CGADMP CCC[N@H+](Cc1cc(C)sc1C)C[C@H]1CC[NH2+]C1 ZINC001236835633 819614991 /nfs/dbraw/zinc/61/49/91/819614991.db2.gz OFOIUPVNLGBHKR-AWEZNQCLSA-N 2 1 266.454 3.186 20 0 CGADMP CCC[N@H+](Cc1cc(F)cc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236835578 819615315 /nfs/dbraw/zinc/61/53/15/819615315.db2.gz NKBVGLIQXRNHSA-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@@H+](Cc1cccc(Cl)c1OC)C[C@@H]1CC[NH2+]C1 ZINC001236834914 819615729 /nfs/dbraw/zinc/61/57/29/819615729.db2.gz KDMLEBJCJFRHNU-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1OC)C[C@@H]1CC[NH2+]C1 ZINC001236834914 819615732 /nfs/dbraw/zinc/61/57/32/819615732.db2.gz KDMLEBJCJFRHNU-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236842956 819618868 /nfs/dbraw/zinc/61/88/68/819618868.db2.gz IIUCHUJQDQLAIW-KRWDZBQOSA-N 2 1 274.452 3.433 20 0 CGADMP CCC[N@H+](Cc1cc(F)cc(F)c1C)C[C@H]1CC[NH2+]C1 ZINC001236842589 819618919 /nfs/dbraw/zinc/61/89/19/819618919.db2.gz FTUNYRBULKIEQO-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)s1 ZINC001237057846 819657328 /nfs/dbraw/zinc/65/73/28/819657328.db2.gz NWSFIQYNEUZYMK-HNNXBMFYSA-N 2 1 266.454 3.261 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237080605 819662286 /nfs/dbraw/zinc/66/22/86/819662286.db2.gz HCHYZQLVGNIMHG-KRWDZBQOSA-N 2 1 260.425 3.371 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237147852 819679716 /nfs/dbraw/zinc/67/97/16/819679716.db2.gz YMPFWYGOMJZYRK-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237147852 819679722 /nfs/dbraw/zinc/67/97/22/819679722.db2.gz YMPFWYGOMJZYRK-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001237147752 819680196 /nfs/dbraw/zinc/68/01/96/819680196.db2.gz XTGUDKFJNMVZGU-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001237147752 819680198 /nfs/dbraw/zinc/68/01/98/819680198.db2.gz XTGUDKFJNMVZGU-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP c1ccc2c(c1)C[NH2+]C21CC[NH+](CC2CCCC2)CC1 ZINC001237360151 819735459 /nfs/dbraw/zinc/73/54/59/819735459.db2.gz UEIJOVRBUKOLCS-UHFFFAOYSA-N 2 1 270.420 3.271 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237383836 819737841 /nfs/dbraw/zinc/73/78/41/819737841.db2.gz RZVWVBZELQOBIP-MWDXBVQZSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237383836 819737846 /nfs/dbraw/zinc/73/78/46/819737846.db2.gz RZVWVBZELQOBIP-MWDXBVQZSA-N 2 1 262.441 3.053 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237379946 819738479 /nfs/dbraw/zinc/73/84/79/819738479.db2.gz DWUGXATUXGORTH-RTBURBONSA-N 2 1 280.415 3.414 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237391319 819741314 /nfs/dbraw/zinc/74/13/14/819741314.db2.gz KYQNDJCQLCZQBY-IEBWSBKVSA-N 2 1 296.414 3.119 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2n1 ZINC001237404301 819744579 /nfs/dbraw/zinc/74/45/79/819744579.db2.gz NWPRQCYBKJHDFT-QZTJIDSGSA-N 2 1 295.430 3.117 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2n1 ZINC001237404302 819745885 /nfs/dbraw/zinc/74/58/85/819745885.db2.gz NWPRQCYBKJHDFT-ROUUACIJSA-N 2 1 295.430 3.117 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414958 819746196 /nfs/dbraw/zinc/74/61/96/819746196.db2.gz NQFYOJCTRKZWGD-AEFFLSMTSA-N 2 1 272.436 3.131 20 0 CGADMP c1cc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2s1 ZINC001237414542 819747671 /nfs/dbraw/zinc/74/76/71/819747671.db2.gz LOAJGBMXNTUSQV-HOTGVXAUSA-N 2 1 286.444 3.475 20 0 CGADMP c1cc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2s1 ZINC001237414542 819747674 /nfs/dbraw/zinc/74/76/74/819747674.db2.gz LOAJGBMXNTUSQV-HOTGVXAUSA-N 2 1 286.444 3.475 20 0 CGADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cccc2n1 ZINC001237418049 819748367 /nfs/dbraw/zinc/74/83/67/819748367.db2.gz XJLLTAOSOBESIE-WMZOPIPTSA-N 2 1 295.430 3.117 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H]4OCC[C@H]43)cc21 ZINC001237875601 819867114 /nfs/dbraw/zinc/86/71/14/819867114.db2.gz BFXNNQSSKRRFQN-QZTJIDSGSA-N 2 1 298.430 3.051 20 0 CGADMP Fc1cc(C2=CCC[NH2+]CC2)cc(F)c1C[NH+]1CCCC1 ZINC001238949680 820165059 /nfs/dbraw/zinc/16/50/59/820165059.db2.gz ICLLAMDILVKQMF-UHFFFAOYSA-N 2 1 292.373 3.327 20 0 CGADMP CC[N@H+]1CCCC[C@H]1c1ccc(C2=CC[NH+](C)CC2)nc1 ZINC001241317434 821728507 /nfs/dbraw/zinc/72/85/07/821728507.db2.gz OTYYQWXXCZVRNY-SFHVURJKSA-N 2 1 285.435 3.347 20 0 CGADMP CC[NH+]1CCCC[C@H]1c1ccc(C2=CC[N@H+](C)CC2)nc1 ZINC001241317434 821728511 /nfs/dbraw/zinc/72/85/11/821728511.db2.gz OTYYQWXXCZVRNY-SFHVURJKSA-N 2 1 285.435 3.347 20 0 CGADMP CC[NH+]1CCCC[C@H]1c1ccc(C2=CC[N@@H+](C)CC2)nc1 ZINC001241317434 821728517 /nfs/dbraw/zinc/72/85/17/821728517.db2.gz OTYYQWXXCZVRNY-SFHVURJKSA-N 2 1 285.435 3.347 20 0 CGADMP Cc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(F)c1 ZINC001241353514 821754814 /nfs/dbraw/zinc/75/48/14/821754814.db2.gz IEJZKEDRGDNPDT-UHFFFAOYSA-N 2 1 281.334 3.136 20 0 CGADMP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001338269715 936314088 /nfs/dbraw/zinc/31/40/88/936314088.db2.gz OLEXIPKUYJRZNN-CQSZACIVSA-N 2 1 284.407 3.417 20 0 CGADMP CC[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC001339458744 936373558 /nfs/dbraw/zinc/37/35/58/936373558.db2.gz NALULPDSHZGPFL-QGZVFWFLSA-N 2 1 281.403 3.182 20 0 CGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])CCC2 ZINC001345470554 936811478 /nfs/dbraw/zinc/81/14/78/936811478.db2.gz TXSVFBIPLBCATD-HRCADAONSA-N 2 1 290.455 3.091 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC001346588567 936853337 /nfs/dbraw/zinc/85/33/37/936853337.db2.gz IIGFESROZTYTMT-UHFFFAOYSA-N 2 1 288.439 3.196 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275443171 928523218 /nfs/dbraw/zinc/52/32/18/928523218.db2.gz AMUIXVKYIFFGBS-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275443171 928523227 /nfs/dbraw/zinc/52/32/27/928523227.db2.gz AMUIXVKYIFFGBS-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275443171 928523237 /nfs/dbraw/zinc/52/32/37/928523237.db2.gz AMUIXVKYIFFGBS-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC ZINC001461955916 928769816 /nfs/dbraw/zinc/76/98/16/928769816.db2.gz IFEJSKLAWNGDMP-ZWKOTPCHSA-N 2 1 296.499 3.390 20 0 CGADMP C[Si](C)(C)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001459438372 937487967 /nfs/dbraw/zinc/48/79/67/937487967.db2.gz OHLZCRVWHSTSEN-MRXNPFEDSA-N 2 1 282.548 3.452 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3CCC2CC3)[C@H](C)C1 ZINC001459672307 937495538 /nfs/dbraw/zinc/49/55/38/937495538.db2.gz ZUSWHAKYGNROSW-UIJHXXCUSA-N 2 1 278.484 3.475 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1F)C1CC1 ZINC001459835741 937502199 /nfs/dbraw/zinc/50/21/99/937502199.db2.gz KWINZCNJBZFQPP-INIZCTEOSA-N 2 1 291.345 3.211 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001460531224 937534886 /nfs/dbraw/zinc/53/48/86/937534886.db2.gz DMHAJPBSEFSDIC-SJORKVTESA-N 2 1 284.488 3.245 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001460563640 937535548 /nfs/dbraw/zinc/53/55/48/937535548.db2.gz XZAIKEXSDUDOCK-DJIMGWMZSA-N 2 1 258.409 3.021 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648159 937538090 /nfs/dbraw/zinc/53/80/90/937538090.db2.gz CAZGFLQKVDWUFT-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648159 937538093 /nfs/dbraw/zinc/53/80/93/937538093.db2.gz CAZGFLQKVDWUFT-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648159 937538096 /nfs/dbraw/zinc/53/80/96/937538096.db2.gz CAZGFLQKVDWUFT-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648159 937538098 /nfs/dbraw/zinc/53/80/98/937538098.db2.gz CAZGFLQKVDWUFT-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648159 937538100 /nfs/dbraw/zinc/53/81/00/937538100.db2.gz CAZGFLQKVDWUFT-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2C=CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001460713315 937541958 /nfs/dbraw/zinc/54/19/58/937541958.db2.gz ZCXBGNPZARWBRI-SJORKVTESA-N 2 1 285.435 3.481 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2C=CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001460713314 937541993 /nfs/dbraw/zinc/54/19/93/937541993.db2.gz ZCXBGNPZARWBRI-IRXDYDNUSA-N 2 1 285.435 3.481 20 0 CGADMP CCc1nc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cs1 ZINC000098170555 931994612 /nfs/dbraw/zinc/99/46/12/931994612.db2.gz PQIDAFCXUJMMIZ-AWEZNQCLSA-N 2 1 295.496 3.307 20 0 CGADMP c1nc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc2s1 ZINC001461013380 937559841 /nfs/dbraw/zinc/55/98/41/937559841.db2.gz WQCIINBXAYHECZ-UHFFFAOYSA-N 2 1 287.432 3.013 20 0 CGADMP C[C@@H](c1cccc(O[C@H]2CCC[N@@H+](C)CC2)c1)[NH+](C)C ZINC001229628155 932179962 /nfs/dbraw/zinc/17/99/62/932179962.db2.gz SYBACARBQQOOCJ-HOCLYGCPSA-N 2 1 276.424 3.172 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC2(CCC2)CC1 ZINC001461485838 937582877 /nfs/dbraw/zinc/58/28/77/937582877.db2.gz YXPCUGQYYHRIMC-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001461847803 937601746 /nfs/dbraw/zinc/60/17/46/937601746.db2.gz CYFBANIOKGOSJV-VQIMIIECSA-N 2 1 286.463 3.281 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCCc2ccccc2)C1 ZINC000382517916 932739214 /nfs/dbraw/zinc/73/92/14/932739214.db2.gz VEJMJYUKNALBPV-KRWDZBQOSA-N 2 1 260.425 3.070 20 0 CGADMP COCC1(C[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCC1 ZINC001462163858 937622270 /nfs/dbraw/zinc/62/22/70/937622270.db2.gz PMLGREVSEVCYET-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)CCCCn2ccnc2C)C1 ZINC001335286893 932775355 /nfs/dbraw/zinc/77/53/55/932775355.db2.gz TVLXIUHVKSLWGB-HUUCEWRRSA-N 2 1 281.469 3.188 20 0 CGADMP CS[C@@H]1CC[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC001335286893 932775359 /nfs/dbraw/zinc/77/53/59/932775359.db2.gz TVLXIUHVKSLWGB-HUUCEWRRSA-N 2 1 281.469 3.188 20 0 CGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC001335286893 932775361 /nfs/dbraw/zinc/77/53/61/932775361.db2.gz TVLXIUHVKSLWGB-HUUCEWRRSA-N 2 1 281.469 3.188 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041428 933039176 /nfs/dbraw/zinc/03/91/76/933039176.db2.gz TWAUTVYJXWSBHV-HNNXBMFYSA-N 2 1 299.393 3.240 20 0 CGADMP Clc1ccc(Cl)c(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001462635752 937655645 /nfs/dbraw/zinc/65/56/45/937655645.db2.gz MMPAPUNHXVTJFG-CYBMUJFWSA-N 2 1 299.245 3.425 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC001308634280 933146007 /nfs/dbraw/zinc/14/60/07/933146007.db2.gz JZAVQPGGBRPYER-PVAVHDDUSA-N 2 1 264.457 3.371 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC001308750173 933170500 /nfs/dbraw/zinc/17/05/00/933170500.db2.gz JNJVMAFLXUZANU-ZACQAIPSSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC001308750173 933170503 /nfs/dbraw/zinc/17/05/03/933170503.db2.gz JNJVMAFLXUZANU-ZACQAIPSSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC001308815925 933183518 /nfs/dbraw/zinc/18/35/18/933183518.db2.gz RYBFVFJHODMNTI-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC001308815925 933183520 /nfs/dbraw/zinc/18/35/20/933183520.db2.gz RYBFVFJHODMNTI-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[N@@H+](CC1CCCC1)CC1CC[NH+](C)CC1 ZINC001473739132 937819773 /nfs/dbraw/zinc/81/97/73/937819773.db2.gz ITRJHZWXUCJSFJ-UHFFFAOYSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)C1CCCCC1 ZINC001319198509 933841778 /nfs/dbraw/zinc/84/17/78/933841778.db2.gz DSSGSHWHJLHCBA-NUEKZKHPSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319212555 933842685 /nfs/dbraw/zinc/84/26/85/933842685.db2.gz XHDIARSUCOGLJQ-BPLDGKMQSA-N 2 1 266.454 3.142 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC001319468702 933881176 /nfs/dbraw/zinc/88/11/76/933881176.db2.gz FNQZYMZBRPKAJO-WBMJQRKESA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC001319468702 933881183 /nfs/dbraw/zinc/88/11/83/933881183.db2.gz FNQZYMZBRPKAJO-WBMJQRKESA-N 2 1 294.389 3.274 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(F)cc1 ZINC001320562801 934066321 /nfs/dbraw/zinc/06/63/21/934066321.db2.gz OPGBFHKDLWFBBD-XYPHTWIQSA-N 2 1 278.415 3.392 20 0 CGADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)nc2ccccc12 ZINC001322045437 934233133 /nfs/dbraw/zinc/23/31/33/934233133.db2.gz PQNBSOXAFRKSJH-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC001322634791 934323969 /nfs/dbraw/zinc/32/39/69/934323969.db2.gz ZAEJQECDKCSPJV-WBVHZDCISA-N 2 1 288.435 3.222 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC001323929727 934438508 /nfs/dbraw/zinc/43/85/08/934438508.db2.gz NVDORJTVRIMLDN-JKSUJKDBSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC001323929727 934438513 /nfs/dbraw/zinc/43/85/13/934438513.db2.gz NVDORJTVRIMLDN-JKSUJKDBSA-N 2 1 262.441 3.244 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001325267642 934899068 /nfs/dbraw/zinc/89/90/68/934899068.db2.gz NDJGHXLRMAHRCI-SECBINFHSA-N 2 1 294.748 3.446 20 0 CGADMP C[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC001473676983 937816955 /nfs/dbraw/zinc/81/69/55/937816955.db2.gz AIFYNHSSCBXKJR-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001328493344 935143132 /nfs/dbraw/zinc/14/31/32/935143132.db2.gz RTVNCKNMTVTPLP-QGZVFWFLSA-N 2 1 288.410 3.279 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)CC1(C)C ZINC001328763520 935167696 /nfs/dbraw/zinc/16/76/96/935167696.db2.gz BHBPENHNGQMIOD-MRXNPFEDSA-N 2 1 294.483 3.188 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@H](C)[NH2+]C ZINC001329023011 935179039 /nfs/dbraw/zinc/17/90/39/935179039.db2.gz JBBKXYKPAOFOPT-RYUDHWBXSA-N 2 1 284.831 3.387 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329432547 935216126 /nfs/dbraw/zinc/21/61/26/935216126.db2.gz FKCLPGRJSTUHGJ-UHFFFAOYSA-N 2 1 295.430 3.200 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001330528013 935292043 /nfs/dbraw/zinc/29/20/43/935292043.db2.gz GVWPLYNNSONUAJ-UHFFFAOYSA-N 2 1 289.467 3.375 20 0 CGADMP CC1([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001331228359 935359599 /nfs/dbraw/zinc/35/95/99/935359599.db2.gz ADWVWVHEPNJHMJ-ULQDDVLXSA-N 2 1 270.420 3.182 20 0 CGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001333159971 935515051 /nfs/dbraw/zinc/51/50/51/935515051.db2.gz BJJBMAASCLSQBS-KBPBESRZSA-N 2 1 287.432 3.026 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001333892502 936073870 /nfs/dbraw/zinc/07/38/70/936073870.db2.gz RZQYDUYGVZRZAJ-ZNMIVQPWSA-N 2 1 292.492 3.473 20 0 CGADMP CSCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC001335534486 936151468 /nfs/dbraw/zinc/15/14/68/936151468.db2.gz WYBSXCPZCMYXNH-WMLDXEAASA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC001335534486 936151473 /nfs/dbraw/zinc/15/14/73/936151473.db2.gz WYBSXCPZCMYXNH-WMLDXEAASA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001335534486 936151475 /nfs/dbraw/zinc/15/14/75/936151475.db2.gz WYBSXCPZCMYXNH-WMLDXEAASA-N 2 1 292.492 3.322 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001335534486 936151479 /nfs/dbraw/zinc/15/14/79/936151479.db2.gz WYBSXCPZCMYXNH-WMLDXEAASA-N 2 1 292.492 3.322 20 0 CGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC001337654654 936277834 /nfs/dbraw/zinc/27/78/34/936277834.db2.gz HHZUTJODEZMDPE-KRWDZBQOSA-N 2 1 281.403 3.040 20 0 CGADMP FCc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001337824609 936291617 /nfs/dbraw/zinc/29/16/17/936291617.db2.gz PJYTVOVNOCSWPO-UHFFFAOYSA-N 2 1 276.399 3.122 20 0 CGADMP COc1cccc(C2CC([NH2+]CCCn3cc[nH+]c3C)C2)c1 ZINC001474472815 937861876 /nfs/dbraw/zinc/86/18/76/937861876.db2.gz SWYJLLMRHFCNJK-UHFFFAOYSA-N 2 1 299.418 3.126 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)C1CCCCC1 ZINC001474504162 937864139 /nfs/dbraw/zinc/86/41/39/937864139.db2.gz CAOBEQNQDACWKL-INMHGKMJSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)C1CCCCC1 ZINC001474504162 937864141 /nfs/dbraw/zinc/86/41/41/937864141.db2.gz CAOBEQNQDACWKL-INMHGKMJSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC001474504162 937864143 /nfs/dbraw/zinc/86/41/43/937864143.db2.gz CAOBEQNQDACWKL-INMHGKMJSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC001474504162 937864145 /nfs/dbraw/zinc/86/41/45/937864145.db2.gz CAOBEQNQDACWKL-INMHGKMJSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001549037745 938154610 /nfs/dbraw/zinc/15/46/10/938154610.db2.gz ZZJIKRRPIHBWQB-HCXYKTFWSA-N 2 1 286.463 3.356 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)sc1C ZINC001550353521 938166238 /nfs/dbraw/zinc/16/62/38/938166238.db2.gz PGJQYKBCNBHAGP-ILXRZTDVSA-N 2 1 293.480 3.414 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@@H+](CC2CC([NH3+])C2)CC1 ZINC001550703629 938170340 /nfs/dbraw/zinc/17/03/40/938170340.db2.gz GLPFRYJBEZLJTQ-PCKAHOCUSA-N 2 1 288.435 3.002 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC001552414428 938192056 /nfs/dbraw/zinc/19/20/56/938192056.db2.gz YCKZWRLYDVNMCK-WZGPROSRSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC001552414428 938192057 /nfs/dbraw/zinc/19/20/57/938192057.db2.gz YCKZWRLYDVNMCK-WZGPROSRSA-N 2 1 284.447 3.254 20 0 CGADMP c1c2ccccc2[nH]c1[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC001553305501 938197862 /nfs/dbraw/zinc/19/78/62/938197862.db2.gz ZNCGQJHBORPWRI-WBVHZDCISA-N 2 1 297.446 3.347 20 0 CGADMP c1c2ccccc2[nH]c1[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC001553305499 938197994 /nfs/dbraw/zinc/19/79/94/938197994.db2.gz ZNCGQJHBORPWRI-NVXWUHKLSA-N 2 1 297.446 3.347 20 0 CGADMP Cc1nc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001559078164 938219900 /nfs/dbraw/zinc/21/99/00/938219900.db2.gz WBNSGKWBLCWMOI-YVEFUNNKSA-N 2 1 290.455 3.324 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2Cc3ccccc3OC[C@@H]2C)CC1 ZINC001560750380 938274041 /nfs/dbraw/zinc/27/40/41/938274041.db2.gz BECIGADNMGQSQH-HNNXBMFYSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2ccsc2S1 ZINC001560796166 938276075 /nfs/dbraw/zinc/27/60/75/938276075.db2.gz RJKGXBMIDBWUBG-CIQGVGRVSA-N 2 1 294.489 3.167 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c2ccsc2S1 ZINC001560796166 938276076 /nfs/dbraw/zinc/27/60/76/938276076.db2.gz RJKGXBMIDBWUBG-CIQGVGRVSA-N 2 1 294.489 3.167 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c2ccsc2S1 ZINC001560796166 938276077 /nfs/dbraw/zinc/27/60/77/938276077.db2.gz RJKGXBMIDBWUBG-CIQGVGRVSA-N 2 1 294.489 3.167 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001560864047 938280580 /nfs/dbraw/zinc/28/05/80/938280580.db2.gz MHDKSKCYKKKAGV-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001560864047 938280582 /nfs/dbraw/zinc/28/05/82/938280582.db2.gz MHDKSKCYKKKAGV-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1(C)C ZINC001560870301 938281058 /nfs/dbraw/zinc/28/10/58/938281058.db2.gz DKPFPJRTEMUXIJ-OWCLPIDISA-N 2 1 284.488 3.289 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1(C)C ZINC001560870301 938281059 /nfs/dbraw/zinc/28/10/59/938281059.db2.gz DKPFPJRTEMUXIJ-OWCLPIDISA-N 2 1 284.488 3.289 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039072 938290863 /nfs/dbraw/zinc/29/08/63/938290863.db2.gz HUSPGOFWADBIKG-HUUCEWRRSA-N 2 1 254.462 3.332 20 0 CGADMP CCc1ccccc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039049 938291007 /nfs/dbraw/zinc/29/10/07/938291007.db2.gz HJVKKUFVJLBUDU-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000035015714 957729725 /nfs/dbraw/zinc/72/97/25/957729725.db2.gz KTXFAYQREGJCCY-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC001580152889 960486250 /nfs/dbraw/zinc/48/62/50/960486250.db2.gz XBSRQXMURXXNMI-UHFFFAOYSA-N 2 1 284.428 3.419 20 0 CGADMP C(C1CC2(CCC2)C1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001574801580 962319662 /nfs/dbraw/zinc/31/96/62/962319662.db2.gz RQAJSFOCEULGAI-QGZVFWFLSA-N 2 1 262.441 3.032 20 0 CGADMP CC(C)[C@H]1[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC12CCCC2 ZINC001575521898 962388018 /nfs/dbraw/zinc/38/80/18/962388018.db2.gz VSNHBRIDVMVNQO-HZPDHXFCSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC001575546220 962393430 /nfs/dbraw/zinc/39/34/30/962393430.db2.gz UYOKBHXXCHQRPW-CVEARBPZSA-N 2 1 280.843 3.249 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC001575655483 962405844 /nfs/dbraw/zinc/40/58/44/962405844.db2.gz LLFJGHMTMGNOEX-YOEHRIQHSA-N 2 1 260.425 3.197 20 0 CGADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(CC(F)(F)F)cc1)C1CC1 ZINC001575976483 962427143 /nfs/dbraw/zinc/42/71/43/962427143.db2.gz VXJYGWUVSNMYSP-AWEZNQCLSA-N 2 1 286.341 3.008 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC001576427281 962455984 /nfs/dbraw/zinc/45/59/84/962455984.db2.gz VMDKMCHHZMRSBD-CABCVRRESA-N 2 1 252.446 3.406 20 0 CGADMP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1C[NH3+] ZINC001576802515 962494849 /nfs/dbraw/zinc/49/48/49/962494849.db2.gz YIAGXWOPYDWSQF-HOCLYGCPSA-N 2 1 252.446 3.264 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001576915606 962499081 /nfs/dbraw/zinc/49/90/81/962499081.db2.gz XOHVVBFGMGHKIV-JNXQLMTMSA-N 2 1 250.430 3.054 20 0 CGADMP CCC(CC)c1cc(C[NH2+]Cc2cccc(C[NH3+])c2)on1 ZINC001577076515 962507560 /nfs/dbraw/zinc/50/75/60/962507560.db2.gz AIJUQBRYFOGVQU-UHFFFAOYSA-N 2 1 287.407 3.327 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC001577375381 962533790 /nfs/dbraw/zinc/53/37/90/962533790.db2.gz YFIHPLDSIVSMGP-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC1CCC([N@@H+](C)CC2(C[NH3+])CCC2)CC1 ZINC001577374909 962539848 /nfs/dbraw/zinc/53/98/48/962539848.db2.gz JLKBTUCJPSZWME-UHFFFAOYSA-N 2 1 252.446 3.406 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1C ZINC001577713035 962561694 /nfs/dbraw/zinc/56/16/94/962561694.db2.gz JYZCSVQCBOQWGE-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC001578176430 962572820 /nfs/dbraw/zinc/57/28/20/962572820.db2.gz GVKRMAKBMUBTPG-SJPCQFCGSA-N 2 1 288.435 3.109 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001579617130 962645424 /nfs/dbraw/zinc/64/54/24/962645424.db2.gz MMEDSVMEWUITEV-KOLCDFICSA-N 2 1 278.293 3.064 20 0 CGADMP Cc1ccc2sc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)nc2c1 ZINC001579743582 962663222 /nfs/dbraw/zinc/66/32/22/962663222.db2.gz ZBXKFFSGKJOXHG-ZDUSSCGKSA-N 2 1 289.448 3.166 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC001579740373 962664165 /nfs/dbraw/zinc/66/41/65/962664165.db2.gz MZLWPVIVVXODIC-IRXDYDNUSA-N 2 1 297.446 3.298 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001580033259 962684478 /nfs/dbraw/zinc/68/44/78/962684478.db2.gz FAQJGTIEGNQUJK-OKZBNKHCSA-N 2 1 288.410 3.147 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000294956585 199269382 /nfs/dbraw/zinc/26/93/82/199269382.db2.gz IASSFLODMVRYDO-MIGBEJBISA-N 2 1 272.436 3.080 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@]2(C)CC)C1 ZINC000651692807 398270387 /nfs/dbraw/zinc/27/03/87/398270387.db2.gz RVJXWQYEQYBWOI-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783237 349586264 /nfs/dbraw/zinc/58/62/64/349586264.db2.gz YZQJNLZEPGEDGI-FVQBIDKESA-N 2 1 262.372 3.090 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783237 349586267 /nfs/dbraw/zinc/58/62/67/349586267.db2.gz YZQJNLZEPGEDGI-FVQBIDKESA-N 2 1 262.372 3.090 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@]2(C)CC)C1 ZINC000651685974 398269052 /nfs/dbraw/zinc/26/90/52/398269052.db2.gz LFTHRPVHXGENLU-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2C)C1 ZINC000651686257 398269105 /nfs/dbraw/zinc/26/91/05/398269105.db2.gz VYMITGKQJZLFKE-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP c1cc2c(c(C[NH2+]C3CC([NH+]4CCCCC4)C3)c1)CCC2 ZINC000651791329 398288481 /nfs/dbraw/zinc/28/84/81/398288481.db2.gz QZIQEOFHPBGHCN-UHFFFAOYSA-N 2 1 284.447 3.282 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000651811587 398290731 /nfs/dbraw/zinc/29/07/31/398290731.db2.gz TZKUWHFDACEENS-YOEHRIQHSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000651811587 398290732 /nfs/dbraw/zinc/29/07/32/398290732.db2.gz TZKUWHFDACEENS-YOEHRIQHSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000651811587 398290733 /nfs/dbraw/zinc/29/07/33/398290733.db2.gz TZKUWHFDACEENS-YOEHRIQHSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000651811587 398290734 /nfs/dbraw/zinc/29/07/34/398290734.db2.gz TZKUWHFDACEENS-YOEHRIQHSA-N 2 1 260.425 3.021 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000337944913 214325746 /nfs/dbraw/zinc/32/57/46/214325746.db2.gz RCQJMUXPNDGBBR-UHFFFAOYSA-N 2 1 296.374 3.026 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337985836 214344477 /nfs/dbraw/zinc/34/44/77/214344477.db2.gz DSFMRNXFVBMNBW-LSDHHAIUSA-N 2 1 258.425 3.226 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337985836 214344480 /nfs/dbraw/zinc/34/44/80/214344480.db2.gz DSFMRNXFVBMNBW-LSDHHAIUSA-N 2 1 258.425 3.226 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCCC1 ZINC000337991186 214348781 /nfs/dbraw/zinc/34/87/81/214348781.db2.gz VBWXZKSIHAVKST-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423297868 282954247 /nfs/dbraw/zinc/95/42/47/282954247.db2.gz MFHFIUBFFMPJNN-SJORKVTESA-N 2 1 280.431 3.500 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000338010141 214359037 /nfs/dbraw/zinc/35/90/37/214359037.db2.gz YBHXACUXNLANJN-LLVKDONJSA-N 2 1 277.334 3.292 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@@H]1CCOC1)C1CCCCC1 ZINC000651910495 398304981 /nfs/dbraw/zinc/30/49/81/398304981.db2.gz VXUHXWMGFLZULI-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCCn2cc[nH+]c2C)[C@@H](C)[C@@H]1OC ZINC000338019453 214364655 /nfs/dbraw/zinc/36/46/55/214364655.db2.gz LBERQYYWVOYJLR-BMFZPTHFSA-N 2 1 293.455 3.011 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338018778 214364427 /nfs/dbraw/zinc/36/44/27/214364427.db2.gz LWSTVECSNDYZHR-ZFWWWQNUSA-N 2 1 251.418 3.386 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423456931 529453690 /nfs/dbraw/zinc/45/36/90/529453690.db2.gz DYKRZSNYMOWODQ-DYVFJYSZSA-N 2 1 269.392 3.137 20 0 CGADMP Cc1ccccc1O[C@@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000125718130 187197573 /nfs/dbraw/zinc/19/75/73/187197573.db2.gz AOMKSEAUDMVMCK-QAETUUGQSA-N 2 1 290.451 3.081 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1OC(F)F ZINC000423523888 529597989 /nfs/dbraw/zinc/59/79/89/529597989.db2.gz IYHITHBXDTWALA-AWEZNQCLSA-N 2 1 298.377 3.471 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000623338216 349781808 /nfs/dbraw/zinc/78/18/08/349781808.db2.gz QGOGYHLEVAPXTR-RYUDHWBXSA-N 2 1 252.427 3.272 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)CC1(C)C ZINC000623338919 349782825 /nfs/dbraw/zinc/78/28/25/349782825.db2.gz AWEYSUFSKRZOSY-HNNXBMFYSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccc3cccnc32)CC1(C)C ZINC000623352085 349786624 /nfs/dbraw/zinc/78/66/24/349786624.db2.gz OOLFTQLYFGQTIL-QGZVFWFLSA-N 2 1 297.446 3.240 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1F ZINC000423369555 529671747 /nfs/dbraw/zinc/67/17/47/529671747.db2.gz FZMCIUIDQFVIGD-GMXABZIVSA-N 2 1 268.351 3.146 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CC1(C)C ZINC000623381964 349795210 /nfs/dbraw/zinc/79/52/10/349795210.db2.gz QKTFDHNKHGWESU-GDBMZVCRSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3cccnc32)CC1(C)C ZINC000623383874 349795500 /nfs/dbraw/zinc/79/55/00/349795500.db2.gz DWTAUKOMDIYGIC-MRXNPFEDSA-N 2 1 283.419 3.197 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398904 349798631 /nfs/dbraw/zinc/79/86/31/349798631.db2.gz RSEIALTUMNVMLM-SJORKVTESA-N 2 1 274.452 3.470 20 0 CGADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623417065 349802409 /nfs/dbraw/zinc/80/24/09/349802409.db2.gz RBPNRSIVXXGMNX-GOEBONIOSA-N 2 1 290.451 3.089 20 0 CGADMP Cc1ccoc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350317554 136378451 /nfs/dbraw/zinc/37/84/51/136378451.db2.gz LYNOKVSNCGRURA-UHFFFAOYSA-N 2 1 299.418 3.331 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)CC1(C)C ZINC000623495588 349820377 /nfs/dbraw/zinc/82/03/77/349820377.db2.gz IZOSMMNQGLWHRD-MRXNPFEDSA-N 2 1 272.436 3.224 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)CC1(C)C ZINC000623514456 349825389 /nfs/dbraw/zinc/82/53/89/349825389.db2.gz OMFDASFXFVLGBW-INIZCTEOSA-N 2 1 285.435 3.173 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)CC1(C)C ZINC000623533530 349828296 /nfs/dbraw/zinc/82/82/96/349828296.db2.gz FCDXGFQCTOMHNR-AWEZNQCLSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@H]12 ZINC000351493079 219104482 /nfs/dbraw/zinc/10/44/82/219104482.db2.gz LTGMPWCJOUHVGQ-CEXWTWQISA-N 2 1 280.415 3.051 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@H]1C ZINC000623657212 349858643 /nfs/dbraw/zinc/85/86/43/349858643.db2.gz LGZICMFVYKNUHJ-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000623657573 349859201 /nfs/dbraw/zinc/85/92/01/349859201.db2.gz UTXJHLBEBZNKSS-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1F ZINC000623657650 349859465 /nfs/dbraw/zinc/85/94/65/349859465.db2.gz VXUMXEHXSJATKF-OAHLLOKOSA-N 2 1 294.414 3.046 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1F ZINC000623657650 349859470 /nfs/dbraw/zinc/85/94/70/349859470.db2.gz VXUMXEHXSJATKF-OAHLLOKOSA-N 2 1 294.414 3.046 20 0 CGADMP CCCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623655941 349856833 /nfs/dbraw/zinc/85/68/33/349856833.db2.gz JGSAMPTVEPXVOY-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000623655996 349856846 /nfs/dbraw/zinc/85/68/46/349856846.db2.gz KPGCDELDZZRPBS-YCPHGPKFSA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000623655996 349856847 /nfs/dbraw/zinc/85/68/47/349856847.db2.gz KPGCDELDZZRPBS-YCPHGPKFSA-N 2 1 276.424 3.225 20 0 CGADMP CSc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623655239 349856999 /nfs/dbraw/zinc/85/69/99/349856999.db2.gz SDYMBQGGIWDFLN-OAHLLOKOSA-N 2 1 278.465 3.230 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000623655938 349857238 /nfs/dbraw/zinc/85/72/38/349857238.db2.gz JCNXWXFSLIPPBF-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623656375 349857634 /nfs/dbraw/zinc/85/76/34/349857634.db2.gz SULFYWDSFNNCDM-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP COCCC1(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCCCC1 ZINC000623657069 349858120 /nfs/dbraw/zinc/85/81/20/349858120.db2.gz JCNNNFCHJJUGKB-KRWDZBQOSA-N 2 1 296.499 3.295 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000423269185 529999912 /nfs/dbraw/zinc/99/99/12/529999912.db2.gz GXIDBZDNYMBQOG-VHSXEESVSA-N 2 1 275.223 3.500 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000044535132 345013385 /nfs/dbraw/zinc/01/33/85/345013385.db2.gz WBBQXKHWMPIVLN-INIZCTEOSA-N 2 1 260.425 3.043 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148583 345388490 /nfs/dbraw/zinc/38/84/90/345388490.db2.gz KMIKQJIMYBUPAE-MRXNPFEDSA-N 2 1 276.424 3.179 20 0 CGADMP Cc1cc(NC2CC[NH+](CC3CCCC3)CC2)nc(C)[nH+]1 ZINC000068824359 345365027 /nfs/dbraw/zinc/36/50/27/345365027.db2.gz SHFPABLVQAOART-UHFFFAOYSA-N 2 1 288.439 3.160 20 0 CGADMP Cc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000075206856 345497290 /nfs/dbraw/zinc/49/72/90/345497290.db2.gz ZTSUHLNOGVULDS-ALOPSCKCSA-N 2 1 258.409 3.018 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC000295117574 199353957 /nfs/dbraw/zinc/35/39/57/199353957.db2.gz WYFJVYLWFLEAIV-DSZSVDOYSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000295117574 199353958 /nfs/dbraw/zinc/35/39/58/199353958.db2.gz WYFJVYLWFLEAIV-DSZSVDOYSA-N 2 1 276.399 3.492 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000085099166 345744386 /nfs/dbraw/zinc/74/43/86/345744386.db2.gz YARNCZLORWOIST-WCVJEAGWSA-N 2 1 252.446 3.131 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081630637 345716174 /nfs/dbraw/zinc/71/61/74/345716174.db2.gz VQQLBPFTKMYJMK-IBGZPJMESA-N 2 1 286.463 3.413 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081630637 345716177 /nfs/dbraw/zinc/71/61/77/345716177.db2.gz VQQLBPFTKMYJMK-IBGZPJMESA-N 2 1 286.463 3.413 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081630637 345716179 /nfs/dbraw/zinc/71/61/79/345716179.db2.gz VQQLBPFTKMYJMK-IBGZPJMESA-N 2 1 286.463 3.413 20 0 CGADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000091482635 345816656 /nfs/dbraw/zinc/81/66/56/345816656.db2.gz MELYECFXDMCCOD-LBPRGKRZSA-N 2 1 273.355 3.128 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000090726402 345792901 /nfs/dbraw/zinc/79/29/01/345792901.db2.gz ZXTQFSIVNYISHW-UXLLHSPISA-N 2 1 292.492 3.381 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000090726402 345792902 /nfs/dbraw/zinc/79/29/02/345792902.db2.gz ZXTQFSIVNYISHW-UXLLHSPISA-N 2 1 292.492 3.381 20 0 CGADMP CC(C)[N@H+]1CC[C@H](CNCc2cc(Cl)ccc2F)C1 ZINC000125303721 346016457 /nfs/dbraw/zinc/01/64/57/346016457.db2.gz ODGSBHRFFFMNPO-GFCCVEGCSA-N 2 1 284.806 3.299 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250873320 346386667 /nfs/dbraw/zinc/38/66/67/346386667.db2.gz MHXJETCRVBJQIU-KGLIPLIRSA-N 2 1 264.438 3.163 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250873320 346386670 /nfs/dbraw/zinc/38/66/70/346386670.db2.gz MHXJETCRVBJQIU-KGLIPLIRSA-N 2 1 264.438 3.163 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000251794663 346389844 /nfs/dbraw/zinc/38/98/44/346389844.db2.gz GBDBMKXAOCVQKW-ALXJQNPVSA-N 2 1 290.451 3.054 20 0 CGADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255168947 346396725 /nfs/dbraw/zinc/39/67/25/346396725.db2.gz LUSTWXDCRZDBMN-OTIVFRFGSA-N 2 1 270.420 3.118 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255168947 346396728 /nfs/dbraw/zinc/39/67/28/346396728.db2.gz LUSTWXDCRZDBMN-OTIVFRFGSA-N 2 1 270.420 3.118 20 0 CGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000624119608 349975210 /nfs/dbraw/zinc/97/52/10/349975210.db2.gz FWMFLGRGRGZTIK-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000624119608 349975213 /nfs/dbraw/zinc/97/52/13/349975213.db2.gz FWMFLGRGRGZTIK-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCCC12CCCC2)C1CC1 ZINC000584853546 346719004 /nfs/dbraw/zinc/71/90/04/346719004.db2.gz HFTPWKJABZFLLJ-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[C@H](C[NH2+]CC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000589640874 346804796 /nfs/dbraw/zinc/80/47/96/346804796.db2.gz DJMJNLXLYWWLIY-HNNXBMFYSA-N 2 1 254.462 3.379 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261725998 282521370 /nfs/dbraw/zinc/52/13/70/282521370.db2.gz KQFCMBXLKHXHDV-INIZCTEOSA-N 2 1 287.794 3.078 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000624120658 349977413 /nfs/dbraw/zinc/97/74/13/349977413.db2.gz DOVZTHIXBMTIQD-HYVNUMGLSA-N 2 1 264.457 3.277 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C12CCCC2 ZINC000624122257 349979840 /nfs/dbraw/zinc/97/98/40/349979840.db2.gz NFLOSRGQJSEXNH-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)o1 ZINC000624122237 349980129 /nfs/dbraw/zinc/98/01/29/349980129.db2.gz MYCYDKVKLLHXHZ-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)o1 ZINC000624122237 349980133 /nfs/dbraw/zinc/98/01/33/349980133.db2.gz MYCYDKVKLLHXHZ-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(C)(C)C)CC1 ZINC000602870125 348038886 /nfs/dbraw/zinc/03/88/86/348038886.db2.gz JZJNGECRPKRCCS-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)SCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602949310 348047032 /nfs/dbraw/zinc/04/70/32/348047032.db2.gz GZMRLLUJAQZJEM-UHFFFAOYSA-N 2 1 270.486 3.078 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000607167154 348227167 /nfs/dbraw/zinc/22/71/67/348227167.db2.gz FLTXRESLSHJZEQ-HNNXBMFYSA-N 2 1 283.419 3.055 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000607167154 348227169 /nfs/dbraw/zinc/22/71/69/348227169.db2.gz FLTXRESLSHJZEQ-HNNXBMFYSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cccnc3c2)[C@H](C)C1 ZINC000607957058 348275818 /nfs/dbraw/zinc/27/58/18/348275818.db2.gz YRYKJXWIPUWXIZ-PBHICJAKSA-N 2 1 283.419 3.055 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CC[NH2+]1 ZINC000414712894 297251682 /nfs/dbraw/zinc/25/16/82/297251682.db2.gz UPJVXXVQWLNUMP-IKGGRYGDSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000624145808 349988052 /nfs/dbraw/zinc/98/80/52/349988052.db2.gz IMZBQJHODARDNA-BRSBDYLESA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000624145808 349988056 /nfs/dbraw/zinc/98/80/56/349988056.db2.gz IMZBQJHODARDNA-BRSBDYLESA-N 2 1 296.499 3.433 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1cccc2C ZINC000358090200 233056360 /nfs/dbraw/zinc/05/63/60/233056360.db2.gz WEZCZWMMFKOOKO-ACJLOTCBSA-N 2 1 283.419 3.413 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000339509311 215218770 /nfs/dbraw/zinc/21/87/70/215218770.db2.gz JNXAOWVHQWQQPN-NVXWUHKLSA-N 2 1 281.403 3.041 20 0 CGADMP Fc1ccc(C[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359210334 233279387 /nfs/dbraw/zinc/27/93/87/233279387.db2.gz BRUDAJAARAKOMC-QGZVFWFLSA-N 2 1 290.426 3.080 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000625264997 350149324 /nfs/dbraw/zinc/14/93/24/350149324.db2.gz PBVCTEXHHFWJLG-WNRNVDISSA-N 2 1 296.499 3.386 20 0 CGADMP C[C@H](OCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000359620426 233346838 /nfs/dbraw/zinc/34/68/38/233346838.db2.gz MOFPDKPCHOVGHB-SOLBZPMBSA-N 2 1 290.451 3.084 20 0 CGADMP CC[N@@H+](CCc1ccncc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062026 350254637 /nfs/dbraw/zinc/25/46/37/350254637.db2.gz DBZQZKJCZRFXNE-UHFFFAOYSA-N 2 1 297.446 3.208 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000626063004 350254857 /nfs/dbraw/zinc/25/48/57/350254857.db2.gz NZJXFNSIFLZROT-YJBOKZPZSA-N 2 1 290.451 3.138 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628202640 350439149 /nfs/dbraw/zinc/43/91/49/350439149.db2.gz BRTNKOLXVAJXBE-CQSZACIVSA-N 2 1 291.439 3.296 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628185483 350430317 /nfs/dbraw/zinc/43/03/17/350430317.db2.gz AZZPPFMXQSPQQK-INIZCTEOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628185483 350430320 /nfs/dbraw/zinc/43/03/20/350430320.db2.gz AZZPPFMXQSPQQK-INIZCTEOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628185483 350430323 /nfs/dbraw/zinc/43/03/23/350430323.db2.gz AZZPPFMXQSPQQK-INIZCTEOSA-N 2 1 285.435 3.332 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628252526 350466588 /nfs/dbraw/zinc/46/65/88/350466588.db2.gz XWLFOMBLXGRHGP-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628425136 350535467 /nfs/dbraw/zinc/53/54/67/350535467.db2.gz BJIMKRBYLVFIDB-DLBZAZTESA-N 2 1 274.452 3.420 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000628425130 350535530 /nfs/dbraw/zinc/53/55/30/350535530.db2.gz BAQWCBYVYIJNIV-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000628425297 350535807 /nfs/dbraw/zinc/53/58/07/350535807.db2.gz GRTHLXQUFBHMFU-KBAYOESNSA-N 2 1 272.436 3.112 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000037256150 282711354 /nfs/dbraw/zinc/71/13/54/282711354.db2.gz SYZRUTWKSKKHMF-ZWKOTPCHSA-N 2 1 272.436 3.397 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000629536908 350705826 /nfs/dbraw/zinc/70/58/26/350705826.db2.gz LAFSULXUKFGWHP-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000629536908 350705828 /nfs/dbraw/zinc/70/58/28/350705828.db2.gz LAFSULXUKFGWHP-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP Clc1ccc([C@H]2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629554957 350711947 /nfs/dbraw/zinc/71/19/47/350711947.db2.gz OZWCGYTZHLYNBW-CWRNSKLLSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000629515096 350699649 /nfs/dbraw/zinc/69/96/49/350699649.db2.gz XLYGUEDPXUXFNP-MRXNPFEDSA-N 2 1 277.456 3.319 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000629515096 350699651 /nfs/dbraw/zinc/69/96/51/350699651.db2.gz XLYGUEDPXUXFNP-MRXNPFEDSA-N 2 1 277.456 3.319 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2c1 ZINC000629518911 350700779 /nfs/dbraw/zinc/70/07/79/350700779.db2.gz MSXJRXSACWVUFX-SZMVWBNQSA-N 2 1 295.430 3.102 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C[NH2+]1 ZINC000629659853 350732075 /nfs/dbraw/zinc/73/20/75/350732075.db2.gz IXEXWWLQKVYXHP-VXGBXAGGSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C[NH2+]1 ZINC000629659851 350732174 /nfs/dbraw/zinc/73/21/74/350732174.db2.gz IXEXWWLQKVYXHP-NWDGAFQWSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000629672378 350734502 /nfs/dbraw/zinc/73/45/02/350734502.db2.gz RMEQTGXSJPSRCE-IINYFYTJSA-N 2 1 287.234 3.266 20 0 CGADMP Cc1cc(C)c(COc2ccc(C[NH3+])cc2)c(C)[nH+]1 ZINC000630507418 350849490 /nfs/dbraw/zinc/84/94/90/350849490.db2.gz VXLXVTPOJWEPEL-UHFFFAOYSA-N 2 1 256.349 3.045 20 0 CGADMP Cc1cc(C)c(COc2cccc(C[NH3+])c2)c(C)[nH+]1 ZINC000630503565 350849798 /nfs/dbraw/zinc/84/97/98/350849798.db2.gz GKPBWJQNNAMZEP-UHFFFAOYSA-N 2 1 256.349 3.045 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(C(F)F)nc1)C(C)(C)C ZINC000631074897 350944364 /nfs/dbraw/zinc/94/43/64/350944364.db2.gz KAMRUVDBTIMIMH-AWEZNQCLSA-N 2 1 299.409 3.475 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C)ccn1 ZINC000631566415 351068723 /nfs/dbraw/zinc/06/87/23/351068723.db2.gz NSCWOKTWMDGYFK-DOTOQJQBSA-N 2 1 287.451 3.305 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(C)ccn1 ZINC000631566415 351068726 /nfs/dbraw/zinc/06/87/26/351068726.db2.gz NSCWOKTWMDGYFK-DOTOQJQBSA-N 2 1 287.451 3.305 20 0 CGADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(C)ccn1 ZINC000631570969 351070846 /nfs/dbraw/zinc/07/08/46/351070846.db2.gz ZHAIUOVWWMZMLX-INIZCTEOSA-N 2 1 286.423 3.416 20 0 CGADMP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000631835454 351149448 /nfs/dbraw/zinc/14/94/48/351149448.db2.gz VDEIIMYCXJEYFL-CQSZACIVSA-N 2 1 268.351 3.328 20 0 CGADMP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000631835454 351149452 /nfs/dbraw/zinc/14/94/52/351149452.db2.gz VDEIIMYCXJEYFL-CQSZACIVSA-N 2 1 268.351 3.328 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC1 ZINC000631740496 351133691 /nfs/dbraw/zinc/13/36/91/351133691.db2.gz VSUJPXHUOLSFDS-JCNLHEQBSA-N 2 1 290.476 3.384 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2occc2c1 ZINC000352241712 219380042 /nfs/dbraw/zinc/38/00/42/219380042.db2.gz MZXSDYWCEKRGHA-UHFFFAOYSA-N 2 1 260.381 3.254 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)[C@@H]1CC[NH3+] ZINC000634688409 351573638 /nfs/dbraw/zinc/57/36/38/351573638.db2.gz ROSKRQUBYMWPII-KBXCAEBGSA-N 2 1 283.419 3.184 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(Cl)c1 ZINC000634733129 351577985 /nfs/dbraw/zinc/57/79/85/351577985.db2.gz XMOOVTHWEUAWII-ZDUSSCGKSA-N 2 1 296.842 3.216 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(Cl)c1 ZINC000634733128 351578641 /nfs/dbraw/zinc/57/86/41/351578641.db2.gz XMOOVTHWEUAWII-CYBMUJFWSA-N 2 1 296.842 3.216 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1(C)CC1 ZINC000122802973 187052586 /nfs/dbraw/zinc/05/25/86/187052586.db2.gz BIEXYSZEQWUBJA-HNNXBMFYSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1(C)CC1 ZINC000122802973 187052587 /nfs/dbraw/zinc/05/25/87/187052587.db2.gz BIEXYSZEQWUBJA-HNNXBMFYSA-N 2 1 272.436 3.213 20 0 CGADMP FC1(F)CC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000291755259 198081415 /nfs/dbraw/zinc/08/14/15/198081415.db2.gz QPHIAGOKXSUDKH-UHFFFAOYSA-N 2 1 294.389 3.286 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c(C)s1 ZINC000365634677 234118951 /nfs/dbraw/zinc/11/89/51/234118951.db2.gz GJUHBFZOYXSMMY-AWEZNQCLSA-N 2 1 289.448 3.478 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000368099581 234280814 /nfs/dbraw/zinc/28/08/14/234280814.db2.gz GFKJXPBKTRMDEI-FCEWJHQRSA-N 2 1 295.430 3.367 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000152406210 188016200 /nfs/dbraw/zinc/01/62/00/188016200.db2.gz HHRHAIXWENLMNK-YVEFUNNKSA-N 2 1 294.389 3.490 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000152406210 188016202 /nfs/dbraw/zinc/01/62/02/188016202.db2.gz HHRHAIXWENLMNK-YVEFUNNKSA-N 2 1 294.389 3.490 20 0 CGADMP Cc1cccc(C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000152473452 188021249 /nfs/dbraw/zinc/02/12/49/188021249.db2.gz AUITUYUTZUSTFB-XLIONFOSSA-N 2 1 298.474 3.390 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000152788802 188044043 /nfs/dbraw/zinc/04/40/43/188044043.db2.gz SBUUFBOTMUAPGY-ZENOOKHLSA-N 2 1 294.414 3.043 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000152788802 188044045 /nfs/dbraw/zinc/04/40/45/188044045.db2.gz SBUUFBOTMUAPGY-ZENOOKHLSA-N 2 1 294.414 3.043 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000156463289 188263511 /nfs/dbraw/zinc/26/35/11/188263511.db2.gz DNLHFEOSYIWDJS-OAGGEKHMSA-N 2 1 275.440 3.100 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000423297037 282905147 /nfs/dbraw/zinc/90/51/47/282905147.db2.gz ILQQCFILEPUUOG-ZBFHGGJFSA-N 2 1 262.441 3.460 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(C)c2)cc1 ZINC000158521969 188379908 /nfs/dbraw/zinc/37/99/08/188379908.db2.gz AJUBOGZMFSKSQZ-CQSZACIVSA-N 2 1 294.402 3.370 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271840938 191360328 /nfs/dbraw/zinc/36/03/28/191360328.db2.gz GRKLWLYZOYKVSA-OAHLLOKOSA-N 2 1 288.435 3.388 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnc2ccsc2c1 ZINC000271841009 191361190 /nfs/dbraw/zinc/36/11/90/191361190.db2.gz GSSHIWHIABEFEO-GFCCVEGCSA-N 2 1 287.432 3.209 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000271829873 191353193 /nfs/dbraw/zinc/35/31/93/191353193.db2.gz DTVYXPKJPAPSMA-ZWKOTPCHSA-N 2 1 270.420 3.174 20 0 CGADMP Cc1cc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000413535691 235287937 /nfs/dbraw/zinc/28/79/37/235287937.db2.gz UFGRUJQMAPRIPI-MRXNPFEDSA-N 2 1 281.403 3.101 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414071920 235329784 /nfs/dbraw/zinc/32/97/84/235329784.db2.gz LBSFVOQVLPIJRZ-RWQQGDIJSA-N 2 1 286.463 3.185 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000414183170 235357503 /nfs/dbraw/zinc/35/75/03/235357503.db2.gz NPTFPFIBSOTCEO-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@@H+](CC1CCCCCC1)C1CC[NH2+]CC1 ZINC000470020478 283195287 /nfs/dbraw/zinc/19/52/87/283195287.db2.gz IMUZEMYZDMULSA-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000420370596 235744701 /nfs/dbraw/zinc/74/47/01/235744701.db2.gz JRMVUFIBAOUCSF-DTWKUNHWSA-N 2 1 291.197 3.393 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000093516100 138347755 /nfs/dbraw/zinc/34/77/55/138347755.db2.gz SFJQKCZSYLJKSX-OCCSQVGLSA-N 2 1 282.378 3.365 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125319794 138381207 /nfs/dbraw/zinc/38/12/07/138381207.db2.gz SZIHNFPCEOPYPA-VVLHAWIVSA-N 2 1 258.409 3.197 20 0 CGADMP CCC[N@@H+](CCc1cccs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414760411 283268536 /nfs/dbraw/zinc/26/85/36/283268536.db2.gz YOVFELFBKRDTQP-LSDHHAIUSA-N 2 1 280.481 3.391 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423260687 236012909 /nfs/dbraw/zinc/01/29/09/236012909.db2.gz ICXNIUKVVGUDDL-DGCLKSJQSA-N 2 1 282.453 3.315 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423285811 236023731 /nfs/dbraw/zinc/02/37/31/236023731.db2.gz YTNXYZHTSPUUQM-IMJJTQAJSA-N 2 1 278.827 3.303 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)C1CC1 ZINC000423314432 236035096 /nfs/dbraw/zinc/03/50/96/236035096.db2.gz HEBBQQXCSWXHTH-QWHCGFSZSA-N 2 1 282.840 3.204 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423317573 236037200 /nfs/dbraw/zinc/03/72/00/236037200.db2.gz BULJVTSFIRCMRI-SUMWQHHRSA-N 2 1 272.392 3.473 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2c(s1)CCCC2 ZINC000423322660 236038166 /nfs/dbraw/zinc/03/81/66/236038166.db2.gz OCAOCOOFNZAJHJ-GXFFZTMASA-N 2 1 264.438 3.015 20 0 CGADMP Clc1ccc([C@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423360245 236049487 /nfs/dbraw/zinc/04/94/87/236049487.db2.gz QDUUYUCRWCXJMB-CWRNSKLLSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000423370770 236052345 /nfs/dbraw/zinc/05/23/45/236052345.db2.gz PYJOGNITPAQSQT-MAUKXSAKSA-N 2 1 268.404 3.297 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1C(C)(C)C ZINC000423492222 236086470 /nfs/dbraw/zinc/08/64/70/236086470.db2.gz MGIZHVIZWDLEEE-CABCVRRESA-N 2 1 290.451 3.013 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C2CCC2)o1 ZINC000423405326 236065579 /nfs/dbraw/zinc/06/55/79/236065579.db2.gz TUCAPRROXNZVRA-SGIREYDYSA-N 2 1 262.397 3.017 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])sc1Br ZINC000423455850 236075523 /nfs/dbraw/zinc/07/55/23/236075523.db2.gz DASYFDASPUAVFW-HLTSFMKQSA-N 2 1 291.258 3.205 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)C1CCCC1 ZINC000423505838 236089425 /nfs/dbraw/zinc/08/94/25/236089425.db2.gz HJVQCLKOIVSADT-CABCVRRESA-N 2 1 294.439 3.470 20 0 CGADMP C[C@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424379368 236158928 /nfs/dbraw/zinc/15/89/28/236158928.db2.gz ONRZCGGNVMODNX-CABCVRRESA-N 2 1 290.426 3.393 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC000424282713 236141780 /nfs/dbraw/zinc/14/17/80/236141780.db2.gz AEPWBOSFPCAWNI-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC12CC2 ZINC000424317000 236147417 /nfs/dbraw/zinc/14/74/17/236147417.db2.gz GJKAZDRKDFZOGR-DJIMGWMZSA-N 2 1 270.420 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC12CC2 ZINC000424317000 236147420 /nfs/dbraw/zinc/14/74/20/236147420.db2.gz GJKAZDRKDFZOGR-DJIMGWMZSA-N 2 1 270.420 3.039 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccncc2C)CC1 ZINC000294562673 199087083 /nfs/dbraw/zinc/08/70/83/199087083.db2.gz MVHKPEHIPUDZAI-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3ccoc32)CC[N@@H+]1C ZINC000336226992 213055821 /nfs/dbraw/zinc/05/58/21/213055821.db2.gz AYWFEWRBYQNMJV-BBRMVZONSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3ccoc32)CC[N@H+]1C ZINC000336226992 213055822 /nfs/dbraw/zinc/05/58/22/213055822.db2.gz AYWFEWRBYQNMJV-BBRMVZONSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3ccoc32)CC[NH+]1C ZINC000336226992 213055825 /nfs/dbraw/zinc/05/58/25/213055825.db2.gz AYWFEWRBYQNMJV-BBRMVZONSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccoc32)CC[NH+]1C ZINC000336226992 213055826 /nfs/dbraw/zinc/05/58/26/213055826.db2.gz AYWFEWRBYQNMJV-BBRMVZONSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989839 297293895 /nfs/dbraw/zinc/29/38/95/297293895.db2.gz SDZSCUJGAVIIBW-CPUCHLNUSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297803944 200283824 /nfs/dbraw/zinc/28/38/24/200283824.db2.gz XRPQIHZFGMPDAT-MRXNPFEDSA-N 2 1 286.463 3.451 20 0 CGADMP CC(C)C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccn1 ZINC000178411964 189114231 /nfs/dbraw/zinc/11/42/31/189114231.db2.gz XMFWBABZBWACAA-KRWDZBQOSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178700724 189138311 /nfs/dbraw/zinc/13/83/11/189138311.db2.gz BNZOTAMPIGOEAV-ZIAGYGMSSA-N 2 1 299.418 3.113 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000342143451 216236918 /nfs/dbraw/zinc/23/69/18/216236918.db2.gz TYEMMWBCIURKFN-JTQLQIEISA-N 2 1 288.313 3.117 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000179616839 189207617 /nfs/dbraw/zinc/20/76/17/189207617.db2.gz QHTWKICHTMTSFO-GXTWGEPZSA-N 2 1 298.377 3.423 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2c1 ZINC000179631795 189208589 /nfs/dbraw/zinc/20/85/89/189208589.db2.gz RHPQAHAXHLPCIX-INIZCTEOSA-N 2 1 298.430 3.232 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000180506656 189259442 /nfs/dbraw/zinc/25/94/42/189259442.db2.gz YOZGIMKIFKRBLW-XJKSGUPXSA-N 2 1 280.843 3.345 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000119588850 370689063 /nfs/dbraw/zinc/68/90/63/370689063.db2.gz FQUGPBSDTZVUSW-UHFFFAOYSA-N 2 1 289.810 3.072 20 0 CGADMP Cc1cc(NCC2CC[NH+](CCC(C)C)CC2)nc(C)[nH+]1 ZINC000301537992 201056896 /nfs/dbraw/zinc/05/68/96/201056896.db2.gz MGQZKEZVYPVAHN-UHFFFAOYSA-N 2 1 290.455 3.263 20 0 CGADMP Cc1nc(NC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000301701678 201149023 /nfs/dbraw/zinc/14/90/23/201149023.db2.gz SYPKGLQUYZTWEO-ZDUSSCGKSA-N 2 1 298.434 3.334 20 0 CGADMP Cc1nc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000301701678 201149026 /nfs/dbraw/zinc/14/90/26/201149026.db2.gz SYPKGLQUYZTWEO-ZDUSSCGKSA-N 2 1 298.434 3.334 20 0 CGADMP C[NH+](C)CC1(CNc2[nH]c3ccccc3[nH+]2)CCCC1 ZINC000302174017 201380116 /nfs/dbraw/zinc/38/01/16/201380116.db2.gz WDNIOWWHURYLMQ-UHFFFAOYSA-N 2 1 272.396 3.097 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233021 239258368 /nfs/dbraw/zinc/25/83/68/239258368.db2.gz KBNZYKOXWIRDSY-VYDXJSESSA-N 2 1 290.451 3.453 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cccc(C)c1 ZINC000449326264 239315644 /nfs/dbraw/zinc/31/56/44/239315644.db2.gz UFVKHIODGPVIPV-UHFFFAOYSA-N 2 1 271.408 3.065 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cccc(C)c1 ZINC000449326264 239315650 /nfs/dbraw/zinc/31/56/50/239315650.db2.gz UFVKHIODGPVIPV-UHFFFAOYSA-N 2 1 271.408 3.065 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449295915 239297590 /nfs/dbraw/zinc/29/75/90/239297590.db2.gz WBIGBZGXSIAGNM-APWZRJJASA-N 2 1 298.430 3.322 20 0 CGADMP c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119702011 370699459 /nfs/dbraw/zinc/69/94/59/370699459.db2.gz PMNRABIWCDPNCG-QGZVFWFLSA-N 2 1 286.419 3.117 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ccoc21 ZINC000335581666 212293199 /nfs/dbraw/zinc/29/31/99/212293199.db2.gz QBNNONZHJIUDAE-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ccoc21 ZINC000335581666 212293201 /nfs/dbraw/zinc/29/32/01/212293201.db2.gz QBNNONZHJIUDAE-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2ccoc21 ZINC000335581666 212293204 /nfs/dbraw/zinc/29/32/04/212293204.db2.gz QBNNONZHJIUDAE-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2ccoc21 ZINC000335581666 212293206 /nfs/dbraw/zinc/29/32/06/212293206.db2.gz QBNNONZHJIUDAE-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1Cl ZINC000275353229 193006874 /nfs/dbraw/zinc/00/68/74/193006874.db2.gz AERCOTSACKCODP-STQMWFEESA-N 2 1 289.810 3.450 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275357815 193009029 /nfs/dbraw/zinc/00/90/29/193009029.db2.gz APKUDYKZFOQLOV-FUHWJXTLSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275625067 193088725 /nfs/dbraw/zinc/08/87/25/193088725.db2.gz RWFMKPBMDAWYMW-LSDHHAIUSA-N 2 1 269.392 3.105 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000275707395 193110223 /nfs/dbraw/zinc/11/02/23/193110223.db2.gz KKOFJZAHWXQPGU-XYPHTWIQSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000275707395 193110225 /nfs/dbraw/zinc/11/02/25/193110225.db2.gz KKOFJZAHWXQPGU-XYPHTWIQSA-N 2 1 276.399 3.146 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000459562003 242132676 /nfs/dbraw/zinc/13/26/76/242132676.db2.gz MQJRAQVSFQNXLX-ZDUSSCGKSA-N 2 1 268.832 3.201 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000459562003 242132681 /nfs/dbraw/zinc/13/26/81/242132681.db2.gz MQJRAQVSFQNXLX-ZDUSSCGKSA-N 2 1 268.832 3.201 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000459381382 242094638 /nfs/dbraw/zinc/09/46/38/242094638.db2.gz UVJVBFCOZUTQKC-UBDQQSCGSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000459381382 242094644 /nfs/dbraw/zinc/09/46/44/242094644.db2.gz UVJVBFCOZUTQKC-UBDQQSCGSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000459381382 242094650 /nfs/dbraw/zinc/09/46/50/242094650.db2.gz UVJVBFCOZUTQKC-UBDQQSCGSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000459381382 242094655 /nfs/dbraw/zinc/09/46/55/242094655.db2.gz UVJVBFCOZUTQKC-UBDQQSCGSA-N 2 1 272.436 3.205 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459650034 242161554 /nfs/dbraw/zinc/16/15/54/242161554.db2.gz LREJPAPLFXKBRC-PMPSAXMXSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459650034 242161559 /nfs/dbraw/zinc/16/15/59/242161559.db2.gz LREJPAPLFXKBRC-PMPSAXMXSA-N 2 1 288.435 3.281 20 0 CGADMP COc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459722877 242192999 /nfs/dbraw/zinc/19/29/99/242192999.db2.gz CEOUWSQJNPWJMO-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP Cc1ccc(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459727050 242193697 /nfs/dbraw/zinc/19/36/97/242193697.db2.gz HCANEBNXHWQRIG-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459729707 242196109 /nfs/dbraw/zinc/19/61/09/242196109.db2.gz DLPWPNGJDJZHKL-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3cccnc32)C1 ZINC000459743143 242203812 /nfs/dbraw/zinc/20/38/12/242203812.db2.gz WLGGNCOWZRLWFR-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000459744032 242206552 /nfs/dbraw/zinc/20/65/52/242206552.db2.gz XOUAUOIFPNSWCS-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000459790945 242234269 /nfs/dbraw/zinc/23/42/69/242234269.db2.gz RCJSJDOUQJOVNN-FHERZECASA-N 2 1 290.426 3.393 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000121505524 370867709 /nfs/dbraw/zinc/86/77/09/370867709.db2.gz KWCKNFHHWNFGEF-KBXCAEBGSA-N 2 1 283.419 3.495 20 0 CGADMP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)no1 ZINC000121803336 370897058 /nfs/dbraw/zinc/89/70/58/370897058.db2.gz JDFZLTVUPPATIG-UHFFFAOYSA-N 2 1 291.439 3.071 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477918829 243061577 /nfs/dbraw/zinc/06/15/77/243061577.db2.gz PWIZNTGROVGAJN-HNNXBMFYSA-N 2 1 290.451 3.468 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CCCC1 ZINC000480145220 243140412 /nfs/dbraw/zinc/14/04/12/243140412.db2.gz XRNDIDRKAJRGNK-SFHVURJKSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000488416058 243552152 /nfs/dbraw/zinc/55/21/52/243552152.db2.gz ULWUHHZGYPZJGT-RHSMWYFYSA-N 2 1 260.425 3.272 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CCCCCC1)[NH+]1CCCC1 ZINC000021008231 368807914 /nfs/dbraw/zinc/80/79/14/368807914.db2.gz WZJZZLTVLHQFIN-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000019943156 368787902 /nfs/dbraw/zinc/78/79/02/368787902.db2.gz FQEKWULYUZWIGI-OAHLLOKOSA-N 2 1 278.440 3.468 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000037140910 369068136 /nfs/dbraw/zinc/06/81/36/369068136.db2.gz LFBZRLWYTNBTFX-LBPRGKRZSA-N 2 1 292.398 3.112 20 0 CGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649538 369096772 /nfs/dbraw/zinc/09/67/72/369096772.db2.gz YBXQMSMLDGNBCZ-HOTGVXAUSA-N 2 1 272.436 3.438 20 0 CGADMP COCC(C)(C)C[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000494384286 244285240 /nfs/dbraw/zinc/28/52/40/244285240.db2.gz IQPZHXZIEYLCIZ-GASCZTMLSA-N 2 1 284.488 3.005 20 0 CGADMP COCC(C)(C)C[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000494384286 244285244 /nfs/dbraw/zinc/28/52/44/244285244.db2.gz IQPZHXZIEYLCIZ-GASCZTMLSA-N 2 1 284.488 3.005 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H]1C ZINC000494964384 244337268 /nfs/dbraw/zinc/33/72/68/244337268.db2.gz OVGARTSIBVIQKQ-OHFALNGGSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)ccc1F ZINC000050544723 369441689 /nfs/dbraw/zinc/44/16/89/369441689.db2.gz ITPPMHUHKSLTJU-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465529 369502804 /nfs/dbraw/zinc/50/28/04/369502804.db2.gz BUIOOHXVDVHYME-GFCCVEGCSA-N 2 1 260.406 3.072 20 0 CGADMP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000053657782 369487690 /nfs/dbraw/zinc/48/76/90/369487690.db2.gz WJPKUDXYXMHQOC-KRWDZBQOSA-N 2 1 260.425 3.144 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000219233588 376196708 /nfs/dbraw/zinc/19/67/08/376196708.db2.gz SIERRRWMPGXAOJ-IRXDYDNUSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000219233588 376196713 /nfs/dbraw/zinc/19/67/13/376196713.db2.gz SIERRRWMPGXAOJ-IRXDYDNUSA-N 2 1 258.409 3.020 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000059180865 369579107 /nfs/dbraw/zinc/57/91/07/369579107.db2.gz UPZDVJTVZAIZGM-UHFFFAOYSA-N 2 1 281.469 3.016 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000062077708 369617748 /nfs/dbraw/zinc/61/77/48/369617748.db2.gz APGFBAPQALUPTA-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2sccc2C)CC1 ZINC000070091870 369780318 /nfs/dbraw/zinc/78/03/18/369780318.db2.gz GGLFMPKXHJZJGY-GFCCVEGCSA-N 2 1 252.427 3.191 20 0 CGADMP C1CC1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000081634921 369998481 /nfs/dbraw/zinc/99/84/81/369998481.db2.gz QZINAHNMQNNCKC-GDBMZVCRSA-N 2 1 262.441 3.172 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CC(C)C)CC1)CC1CC1 ZINC000537755586 376199637 /nfs/dbraw/zinc/19/96/37/376199637.db2.gz MONDBPIESFNRGT-UHFFFAOYSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086887273 370023588 /nfs/dbraw/zinc/02/35/88/370023588.db2.gz GEGLUIAPBQYCED-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1nccs1 ZINC000093398280 370121948 /nfs/dbraw/zinc/12/19/48/370121948.db2.gz ISLOBOSJSUXELB-KGLIPLIRSA-N 2 1 281.469 3.306 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000423276158 296159437 /nfs/dbraw/zinc/15/94/37/296159437.db2.gz MLJUMZKKIQEJRB-WIHFPFTRSA-N 2 1 278.362 3.071 20 0 CGADMP CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513714085 245095048 /nfs/dbraw/zinc/09/50/48/245095048.db2.gz XZPOWRDCUZAAMA-KZNAEPCWSA-N 2 1 272.436 3.287 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000514083100 245105505 /nfs/dbraw/zinc/10/55/05/245105505.db2.gz JRTGYXPBLKWRGH-SQNIBIBYSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccccc32)CC[N@@H+]1C ZINC000130075678 371011518 /nfs/dbraw/zinc/01/15/18/371011518.db2.gz MZULWBYKCPZSLT-VNHYZAJKSA-N 2 1 276.449 3.296 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102684 371012407 /nfs/dbraw/zinc/01/24/07/371012407.db2.gz JAZXUNNVPGEBRD-OBJOEFQTSA-N 2 1 298.377 3.421 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000130230712 371020395 /nfs/dbraw/zinc/02/03/95/371020395.db2.gz VXGPIDLPKGLRHB-HNNXBMFYSA-N 2 1 260.425 3.438 20 0 CGADMP Cc1cccc(C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000130943338 371071296 /nfs/dbraw/zinc/07/12/96/371071296.db2.gz UDOADTHKADPRJE-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000132061275 371148842 /nfs/dbraw/zinc/14/88/42/371148842.db2.gz ZCHXSBBZZBSQGB-NEPJUHHUSA-N 2 1 297.240 3.099 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000151104996 371569583 /nfs/dbraw/zinc/56/95/83/371569583.db2.gz XYRUAIILNXITKM-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3nc(C)sc32)C1 ZINC000151128952 371575054 /nfs/dbraw/zinc/57/50/54/371575054.db2.gz YYBQYYVSKDYHIU-ZIAGYGMSSA-N 2 1 293.480 3.150 20 0 CGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000421852293 371674003 /nfs/dbraw/zinc/67/40/03/371674003.db2.gz GXOGVBQSGMCWLM-NEPJUHHUSA-N 2 1 284.831 3.197 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421823808 371645406 /nfs/dbraw/zinc/64/54/06/371645406.db2.gz FLTBVSUXKVJCCW-NSHDSACASA-N 2 1 295.789 3.205 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCC[NH+](C)C)ccc1SC ZINC000151946073 371656053 /nfs/dbraw/zinc/65/60/53/371656053.db2.gz UDCLCWWISCCPCP-LBPRGKRZSA-N 2 1 282.453 3.019 20 0 CGADMP C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419005 371694496 /nfs/dbraw/zinc/69/44/96/371694496.db2.gz WZIPCUWQPSDSFP-QWRGUYRKSA-N 2 1 298.352 3.239 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419005 371694500 /nfs/dbraw/zinc/69/45/00/371694500.db2.gz WZIPCUWQPSDSFP-QWRGUYRKSA-N 2 1 298.352 3.239 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+]Cc2cccc(C3CC3)c2)c1 ZINC000422556681 371748311 /nfs/dbraw/zinc/74/83/11/371748311.db2.gz UHFPEONORAPLCO-UHFFFAOYSA-N 2 1 295.430 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000422565374 371751254 /nfs/dbraw/zinc/75/12/54/371751254.db2.gz YVDVIHPNBMGCIS-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000422704313 371759241 /nfs/dbraw/zinc/75/92/41/371759241.db2.gz KIWUDHAVIJPRHG-SWLSCSKDSA-N 2 1 280.843 3.348 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cn2)C(C)C)C1 ZINC000353338796 220034508 /nfs/dbraw/zinc/03/45/08/220034508.db2.gz USZYPRQMAMQKED-YOEHRIQHSA-N 2 1 293.430 3.239 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cn2)C(C)C)C1 ZINC000353338796 220034511 /nfs/dbraw/zinc/03/45/11/220034511.db2.gz USZYPRQMAMQKED-YOEHRIQHSA-N 2 1 293.430 3.239 20 0 CGADMP C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000422762781 371792749 /nfs/dbraw/zinc/79/27/49/371792749.db2.gz MTQYHFQBFISCCF-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1 ZINC000422731325 371772126 /nfs/dbraw/zinc/77/21/26/371772126.db2.gz NMQBOTFEEMGAHO-GUYCJALGSA-N 2 1 288.822 3.388 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000422740162 371776864 /nfs/dbraw/zinc/77/68/64/371776864.db2.gz AWMLVRJCHYPNAE-SUMWQHHRSA-N 2 1 288.822 3.388 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nccc2ccccc21 ZINC000289629706 371777815 /nfs/dbraw/zinc/77/78/15/371777815.db2.gz HFNXMHWROOIHMZ-CQSZACIVSA-N 2 1 285.435 3.473 20 0 CGADMP CC(C)COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422741323 371777969 /nfs/dbraw/zinc/77/79/69/371777969.db2.gz PNTPMHDZDJIWKH-SJPCQFCGSA-N 2 1 288.435 3.094 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422749382 371782492 /nfs/dbraw/zinc/78/24/92/371782492.db2.gz YWQSLZDZQQPWSD-HZSPNIEDSA-N 2 1 261.413 3.361 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1c[nH+]ccc1N ZINC000422747802 371782742 /nfs/dbraw/zinc/78/27/42/371782742.db2.gz ZLILURCVFJFQSH-LLVKDONJSA-N 2 1 275.421 3.184 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422749175 371783076 /nfs/dbraw/zinc/78/30/76/371783076.db2.gz XWCVYIBRAWMNTB-PBWFPOADSA-N 2 1 270.376 3.114 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422755047 371787812 /nfs/dbraw/zinc/78/78/12/371787812.db2.gz FGZFPFJPFZGSKX-ZIAGYGMSSA-N 2 1 284.350 3.038 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C(C)C ZINC000337332556 214012812 /nfs/dbraw/zinc/01/28/12/214012812.db2.gz ILBKMGWBUYWORU-FUHWJXTLSA-N 2 1 289.467 3.428 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C(C)C ZINC000337332556 214012814 /nfs/dbraw/zinc/01/28/14/214012814.db2.gz ILBKMGWBUYWORU-FUHWJXTLSA-N 2 1 289.467 3.428 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1cccs1 ZINC000422787649 371807999 /nfs/dbraw/zinc/80/79/99/371807999.db2.gz UTCOXZNMQYSNKM-NEPJUHHUSA-N 2 1 275.421 3.085 20 0 CGADMP CC(C)COCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422788264 371809276 /nfs/dbraw/zinc/80/92/76/371809276.db2.gz QWNHHRNMIFFKKA-ZWKOTPCHSA-N 2 1 290.451 3.132 20 0 CGADMP Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422806206 371821447 /nfs/dbraw/zinc/82/14/47/371821447.db2.gz MZFOJDMCQHJWAK-CRAIPNDOSA-N 2 1 268.404 3.043 20 0 CGADMP CC(C)CSCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000154181990 371825344 /nfs/dbraw/zinc/82/53/44/371825344.db2.gz STLKPFHLAXXLHN-HNNXBMFYSA-N 2 1 272.502 3.039 20 0 CGADMP CC(C)CC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCC1 ZINC000422872933 371848722 /nfs/dbraw/zinc/84/87/22/371848722.db2.gz JFFIFSPFUZGXSA-CYBMUJFWSA-N 2 1 261.413 3.361 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422901875 371860944 /nfs/dbraw/zinc/86/09/44/371860944.db2.gz SPNSVYYVZCYYBX-OAHLLOKOSA-N 2 1 299.418 3.312 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000289963912 371863844 /nfs/dbraw/zinc/86/38/44/371863844.db2.gz IUEFKUXRGIFUEX-INIZCTEOSA-N 2 1 290.451 3.173 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000289963912 371863848 /nfs/dbraw/zinc/86/38/48/371863848.db2.gz IUEFKUXRGIFUEX-INIZCTEOSA-N 2 1 290.451 3.173 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000422916244 371867735 /nfs/dbraw/zinc/86/77/35/371867735.db2.gz CZWLHRJBHDVODE-LDTOTXGLSA-N 2 1 294.442 3.166 20 0 CGADMP COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(F)c1 ZINC000422927301 371876069 /nfs/dbraw/zinc/87/60/69/371876069.db2.gz GAUKWFIKKPNSSH-DZGCQCFKSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@@H]([NH2+]CCc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]1 ZINC000422938545 371880892 /nfs/dbraw/zinc/88/08/92/371880892.db2.gz HBTIIJNSRVAKTL-MFKMUULPSA-N 2 1 287.234 3.266 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000290030568 371884445 /nfs/dbraw/zinc/88/44/45/371884445.db2.gz NJJZHKOWWULMKK-MRXNPFEDSA-N 2 1 289.398 3.479 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccsc2C1 ZINC000154378530 371842476 /nfs/dbraw/zinc/84/24/76/371842476.db2.gz SXAXRQQDGYPPGW-UHFFFAOYSA-N 2 1 275.421 3.092 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccsc2C1 ZINC000154378530 371842483 /nfs/dbraw/zinc/84/24/83/371842483.db2.gz SXAXRQQDGYPPGW-UHFFFAOYSA-N 2 1 275.421 3.092 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000290220795 371938100 /nfs/dbraw/zinc/93/81/00/371938100.db2.gz QUIOYBPVGNOUJO-HZSPNIEDSA-N 2 1 287.407 3.255 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCCO)c2ccccc2)c2ccccc21 ZINC000422980054 371899767 /nfs/dbraw/zinc/89/97/67/371899767.db2.gz OPEYXKWVEQAKLH-QRVBRYPASA-N 2 1 296.414 3.235 20 0 CGADMP CC[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423013186 371914268 /nfs/dbraw/zinc/91/42/68/371914268.db2.gz MGHWFVHBDPAXGG-HOTGVXAUSA-N 2 1 294.389 3.117 20 0 CGADMP Cc1ccncc1CCC[N@H+](C)CCC1CCOCC1 ZINC000290186690 371927547 /nfs/dbraw/zinc/92/75/47/371927547.db2.gz ZRNBHMSTGQEGJG-UHFFFAOYSA-N 2 1 276.424 3.071 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OC(C)(C)C)cc1 ZINC000156706215 371991963 /nfs/dbraw/zinc/99/19/63/371991963.db2.gz FHBITKSPPLXEEI-CQSZACIVSA-N 2 1 278.440 3.466 20 0 CGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423150861 371992947 /nfs/dbraw/zinc/99/29/47/371992947.db2.gz ZKDRIRPKPIDIPR-SJCJKPOMSA-N 2 1 276.399 3.181 20 0 CGADMP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1(O)CCCC1 ZINC000423170742 372003061 /nfs/dbraw/zinc/00/30/61/372003061.db2.gz YRNIJXZFGQMINV-JKSUJKDBSA-N 2 1 288.435 3.052 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000423166679 372000177 /nfs/dbraw/zinc/00/01/77/372000177.db2.gz VTAVWAMRDMXOMI-GFOCRRMGSA-N 2 1 288.435 3.061 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187311 372014878 /nfs/dbraw/zinc/01/48/78/372014878.db2.gz MIYNLGSWUKBYAV-KBAYOESNSA-N 2 1 289.467 3.366 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000157407670 372020058 /nfs/dbraw/zinc/02/00/58/372020058.db2.gz OBXIIQYNZYZSBH-HNNXBMFYSA-N 2 1 260.425 3.206 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000157407670 372020065 /nfs/dbraw/zinc/02/00/65/372020065.db2.gz OBXIIQYNZYZSBH-HNNXBMFYSA-N 2 1 260.425 3.206 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290593867 372024305 /nfs/dbraw/zinc/02/43/05/372024305.db2.gz VNCOXCQQCLKPCK-CRAIPNDOSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290593867 372024311 /nfs/dbraw/zinc/02/43/11/372024311.db2.gz VNCOXCQQCLKPCK-CRAIPNDOSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290593867 372024317 /nfs/dbraw/zinc/02/43/17/372024317.db2.gz VNCOXCQQCLKPCK-CRAIPNDOSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290593867 372024325 /nfs/dbraw/zinc/02/43/25/372024325.db2.gz VNCOXCQQCLKPCK-CRAIPNDOSA-N 2 1 290.451 3.246 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2c(c1)COC2 ZINC000423200355 372025418 /nfs/dbraw/zinc/02/54/18/372025418.db2.gz LYXCZEHUSIFZPU-AWEZNQCLSA-N 2 1 288.435 3.419 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2sccc21 ZINC000423258776 372044925 /nfs/dbraw/zinc/04/49/25/372044925.db2.gz CIUAPSOMYXJDSX-YPMHNXCESA-N 2 1 252.427 3.089 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423176003 372005056 /nfs/dbraw/zinc/00/50/56/372005056.db2.gz BLGYSDUSRMLDOH-SNVBAGLBSA-N 2 1 281.469 3.152 20 0 CGADMP CC[C@H]([NH2+]CC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000423173977 372005263 /nfs/dbraw/zinc/00/52/63/372005263.db2.gz AUNOWUPGHKPYBR-KRWDZBQOSA-N 2 1 270.376 3.478 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423183982 372010260 /nfs/dbraw/zinc/01/02/60/372010260.db2.gz HDLMIDYFGBBUFQ-MRXNPFEDSA-N 2 1 297.446 3.475 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000425349291 372122511 /nfs/dbraw/zinc/12/25/11/372122511.db2.gz FJOYTJPEXSSLJE-HUUCEWRRSA-N 2 1 270.486 3.125 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000158563709 372072501 /nfs/dbraw/zinc/07/25/01/372072501.db2.gz VDQUUOMKQQSPAK-NUJGCVRESA-N 2 1 274.452 3.307 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000158563709 372072507 /nfs/dbraw/zinc/07/25/07/372072507.db2.gz VDQUUOMKQQSPAK-NUJGCVRESA-N 2 1 274.452 3.307 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000291289929 372155407 /nfs/dbraw/zinc/15/54/07/372155407.db2.gz RSSUEZVZKRLSPV-YOEHRIQHSA-N 2 1 288.435 3.091 20 0 CGADMP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC(C)(C)C[NH3+] ZINC000159323458 372130063 /nfs/dbraw/zinc/13/00/63/372130063.db2.gz LJKUSSNJFOZVHI-UHFFFAOYSA-N 2 1 292.320 3.261 20 0 CGADMP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC(C)(C)C[NH3+] ZINC000159323458 372130069 /nfs/dbraw/zinc/13/00/69/372130069.db2.gz LJKUSSNJFOZVHI-UHFFFAOYSA-N 2 1 292.320 3.261 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000344252225 217120034 /nfs/dbraw/zinc/12/00/34/217120034.db2.gz BASQPKBRPDNUGO-KXBFYZLASA-N 2 1 295.430 3.178 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)CC[N@H+]1C ZINC000160365383 372241024 /nfs/dbraw/zinc/24/10/24/372241024.db2.gz HPTXCVDUBLVSOC-MNOVXSKESA-N 2 1 272.845 3.016 20 0 CGADMP Cc1sccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000293421445 372379324 /nfs/dbraw/zinc/37/93/24/372379324.db2.gz AKOZIFJYIJCRNW-AWEZNQCLSA-N 2 1 266.454 3.267 20 0 CGADMP C[C@@](C[NH3+])([NH2+]Cc1cc(Cl)cc2cccnc21)C1CC1 ZINC000430595799 372392390 /nfs/dbraw/zinc/39/23/90/372392390.db2.gz YRMWHFXVZVDERL-INIZCTEOSA-N 2 1 289.810 3.105 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC000162601537 372406041 /nfs/dbraw/zinc/40/60/41/372406041.db2.gz OERMOCBIMJMOGX-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC000162601537 372406046 /nfs/dbraw/zinc/40/60/46/372406046.db2.gz OERMOCBIMJMOGX-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000293575977 372414765 /nfs/dbraw/zinc/41/47/65/372414765.db2.gz HIQMKWUVTSGWBO-MAUKXSAKSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000293575977 372414768 /nfs/dbraw/zinc/41/47/68/372414768.db2.gz HIQMKWUVTSGWBO-MAUKXSAKSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000293575977 372414773 /nfs/dbraw/zinc/41/47/73/372414773.db2.gz HIQMKWUVTSGWBO-MAUKXSAKSA-N 2 1 290.426 3.347 20 0 CGADMP CC1(C)CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000163603211 372483368 /nfs/dbraw/zinc/48/33/68/372483368.db2.gz BJQZBJSCHJUVRH-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCOC1(C)C ZINC000293607070 372423859 /nfs/dbraw/zinc/42/38/59/372423859.db2.gz GIBUJKCGNCXLLC-QGZVFWFLSA-N 2 1 290.451 3.184 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000163213814 372453229 /nfs/dbraw/zinc/45/32/29/372453229.db2.gz FCAIMNZAQGAHFD-SWLSCSKDSA-N 2 1 294.439 3.294 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000164585350 372523937 /nfs/dbraw/zinc/52/39/37/372523937.db2.gz NFMKNRUOYSJJDJ-QGZVFWFLSA-N 2 1 287.382 3.388 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@H](C)C1 ZINC000164779853 372532247 /nfs/dbraw/zinc/53/22/47/372532247.db2.gz AJRYGMBUXRQASN-PBHICJAKSA-N 2 1 292.442 3.423 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H](C)C1CCCCC1 ZINC000168305016 372608653 /nfs/dbraw/zinc/60/86/53/372608653.db2.gz BBXNOXWBCCBLMK-HZPDHXFCSA-N 2 1 296.499 3.292 20 0 CGADMP CC1(c2ccccc2)CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000294314458 372647180 /nfs/dbraw/zinc/64/71/80/372647180.db2.gz WDRUUXGREULXBT-LSJNQWAISA-N 2 1 284.447 3.181 20 0 CGADMP Cc1ccoc1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434015649 372648822 /nfs/dbraw/zinc/64/88/22/372648822.db2.gz CXWVUJKWWZUXRK-WMZOPIPTSA-N 2 1 299.418 3.108 20 0 CGADMP Cc1ccoc1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434015649 372648828 /nfs/dbraw/zinc/64/88/28/372648828.db2.gz CXWVUJKWWZUXRK-WMZOPIPTSA-N 2 1 299.418 3.108 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCSC(C)(C)CC1 ZINC000434691860 372702171 /nfs/dbraw/zinc/70/21/71/372702171.db2.gz BWFMHCUWIZZCNM-CQSZACIVSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCSC(C)(C)CC1 ZINC000434691860 372702178 /nfs/dbraw/zinc/70/21/78/372702178.db2.gz BWFMHCUWIZZCNM-CQSZACIVSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCSC(C)(C)CC1 ZINC000434691860 372702190 /nfs/dbraw/zinc/70/21/90/372702190.db2.gz BWFMHCUWIZZCNM-CQSZACIVSA-N 2 1 270.486 3.078 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@@H]12 ZINC000435391720 372758138 /nfs/dbraw/zinc/75/81/38/372758138.db2.gz XVCQTFGUHNOGIT-USXIJHARSA-N 2 1 282.387 3.116 20 0 CGADMP c1ccc(C[N@H+](CC2CCCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435390854 372758288 /nfs/dbraw/zinc/75/82/88/372758288.db2.gz CFEDVIVVLBKGLU-SFHVURJKSA-N 2 1 287.451 3.216 20 0 CGADMP CCC[C@@H](C)C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435427382 372762421 /nfs/dbraw/zinc/76/24/21/372762421.db2.gz LQGPJTDEEXINQZ-UKRRQHHQSA-N 2 1 295.496 3.299 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccsc2C)C1 ZINC000295481831 372798286 /nfs/dbraw/zinc/79/82/86/372798286.db2.gz XEROMBKZGJBMJF-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccsc2C)C1 ZINC000295481831 372798288 /nfs/dbraw/zinc/79/82/88/372798288.db2.gz XEROMBKZGJBMJF-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccsc2C)C1 ZINC000295481831 372798293 /nfs/dbraw/zinc/79/82/93/372798293.db2.gz XEROMBKZGJBMJF-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccsc2C)C1 ZINC000295481831 372798298 /nfs/dbraw/zinc/79/82/98/372798298.db2.gz XEROMBKZGJBMJF-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP C[N@@H+](CCC1CCCC1)CC[C@H]1CCCC[NH+]1C ZINC000441384697 373004142 /nfs/dbraw/zinc/00/41/42/373004142.db2.gz UZDANQCKFFTBLU-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CCC1CCCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000441384697 373004149 /nfs/dbraw/zinc/00/41/49/373004149.db2.gz UZDANQCKFFTBLU-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CCC1CCCC1)CC[C@H]1CCCC[N@H+]1C ZINC000441384697 373004153 /nfs/dbraw/zinc/00/41/53/373004153.db2.gz UZDANQCKFFTBLU-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000172582937 372990815 /nfs/dbraw/zinc/99/08/15/372990815.db2.gz DHMSSDOHHCSLBQ-JKSUJKDBSA-N 2 1 260.425 3.064 20 0 CGADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000172582937 372990828 /nfs/dbraw/zinc/99/08/28/372990828.db2.gz DHMSSDOHHCSLBQ-JKSUJKDBSA-N 2 1 260.425 3.064 20 0 CGADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000172582937 372990845 /nfs/dbraw/zinc/99/08/45/372990845.db2.gz DHMSSDOHHCSLBQ-JKSUJKDBSA-N 2 1 260.425 3.064 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cn1 ZINC000353534652 220141359 /nfs/dbraw/zinc/14/13/59/220141359.db2.gz IKSFIQCNSPAXGF-YOEHRIQHSA-N 2 1 293.430 3.239 20 0 CGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000353530467 220138763 /nfs/dbraw/zinc/13/87/63/220138763.db2.gz MSVFYNLSMLVPRI-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC4CC4)C3)C2)cc1 ZINC000353530467 220138767 /nfs/dbraw/zinc/13/87/67/220138767.db2.gz MSVFYNLSMLVPRI-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC4CC4)C3)C2)cc1 ZINC000353530467 220138769 /nfs/dbraw/zinc/13/87/69/220138769.db2.gz MSVFYNLSMLVPRI-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCSc1ccc(Cl)cc1 ZINC000442757891 373073520 /nfs/dbraw/zinc/07/35/20/373073520.db2.gz NJISYDAKIGUJDP-NWDGAFQWSA-N 2 1 284.856 3.101 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000173786128 373190453 /nfs/dbraw/zinc/19/04/53/373190453.db2.gz NXEYZKHULFSHBM-IAGOWNOFSA-N 2 1 272.436 3.474 20 0 CGADMP c1[nH]c2ccccc2c1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298407772 373318481 /nfs/dbraw/zinc/31/84/81/373318481.db2.gz MCJMLIUVVUWTNO-UHFFFAOYSA-N 2 1 297.446 3.317 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000447819437 373498347 /nfs/dbraw/zinc/49/83/47/373498347.db2.gz AEFFNZDXDHTRBV-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP C[C@H]1CCC[C@@](C[NH2+]C2CC3(CCC3)C2)([NH+](C)C)C1 ZINC000448057139 373542928 /nfs/dbraw/zinc/54/29/28/373542928.db2.gz VQNIEVBJPNCIAA-WMLDXEAASA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC000176273500 373576698 /nfs/dbraw/zinc/57/66/98/373576698.db2.gz PKUPJDHQWPKQFF-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000176273500 373576704 /nfs/dbraw/zinc/57/67/04/373576704.db2.gz PKUPJDHQWPKQFF-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000176273500 373576707 /nfs/dbraw/zinc/57/67/07/373576707.db2.gz PKUPJDHQWPKQFF-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP COCC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449063258 373659028 /nfs/dbraw/zinc/65/90/28/373659028.db2.gz OHPFPONAKPNIEI-KLAILNCOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449436079 373714209 /nfs/dbraw/zinc/71/42/09/373714209.db2.gz WVUARFNGZKIIMV-KGLIPLIRSA-N 2 1 261.413 3.064 20 0 CGADMP Cc1cc(NCCCC[N@H+]2CCCC[C@H]2C)nc(C)[nH+]1 ZINC000301116988 373667690 /nfs/dbraw/zinc/66/76/90/373667690.db2.gz UROLMCXVZZPHAY-CQSZACIVSA-N 2 1 276.428 3.160 20 0 CGADMP Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)nc(C)[nH+]1 ZINC000301116988 373667700 /nfs/dbraw/zinc/66/77/00/373667700.db2.gz UROLMCXVZZPHAY-CQSZACIVSA-N 2 1 276.428 3.160 20 0 CGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCCCC2 ZINC000178975192 373822932 /nfs/dbraw/zinc/82/29/32/373822932.db2.gz FVGOGWGACXXLFF-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)CC[N@@H+]1C ZINC000181325131 374109147 /nfs/dbraw/zinc/10/91/47/374109147.db2.gz NLPPTFRIRYKGAN-HEHGZKQESA-N 2 1 292.398 3.112 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)CC[N@H+]1C ZINC000181325131 374109150 /nfs/dbraw/zinc/10/91/50/374109150.db2.gz NLPPTFRIRYKGAN-HEHGZKQESA-N 2 1 292.398 3.112 20 0 CGADMP CCc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000450384938 374095492 /nfs/dbraw/zinc/09/54/92/374095492.db2.gz BSICAFCPWFLMON-KSSFIOAISA-N 2 1 285.435 3.097 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000181907295 374190095 /nfs/dbraw/zinc/19/00/95/374190095.db2.gz DEGHLFZGFPZSGX-HNNXBMFYSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311785391 374254788 /nfs/dbraw/zinc/25/47/88/374254788.db2.gz YZSRAZMDNFKFRO-YUELXQCFSA-N 2 1 278.827 3.332 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700418 374336171 /nfs/dbraw/zinc/33/61/71/374336171.db2.gz BWPSWVCYQAQEKX-YQQAZPJKSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700418 374336179 /nfs/dbraw/zinc/33/61/79/374336179.db2.gz BWPSWVCYQAQEKX-YQQAZPJKSA-N 3 1 298.434 3.006 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+]1CCCC1 ZINC000314301071 374315285 /nfs/dbraw/zinc/31/52/85/374315285.db2.gz YXAZADWYKITAJE-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328126523 374361224 /nfs/dbraw/zinc/36/12/24/374361224.db2.gz UHZXSNVAKWONAL-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000183096506 374372035 /nfs/dbraw/zinc/37/20/35/374372035.db2.gz GBIXQQSTKHPQEM-KLHDSHLOSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000183096506 374372040 /nfs/dbraw/zinc/37/20/40/374372040.db2.gz GBIXQQSTKHPQEM-KLHDSHLOSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000183096506 374372042 /nfs/dbraw/zinc/37/20/42/374372042.db2.gz GBIXQQSTKHPQEM-KLHDSHLOSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000183096506 374372046 /nfs/dbraw/zinc/37/20/46/374372046.db2.gz GBIXQQSTKHPQEM-KLHDSHLOSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1-n1cccn1 ZINC000183176295 374382243 /nfs/dbraw/zinc/38/22/43/374382243.db2.gz SHXDFJLGTCILGW-CVEARBPZSA-N 2 1 298.434 3.007 20 0 CGADMP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000453361255 374450267 /nfs/dbraw/zinc/45/02/67/374450267.db2.gz QTHKGWZMYLNRHK-JQHSSLGASA-N 2 1 290.426 3.139 20 0 CGADMP CC(C)CCOCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665620 374708078 /nfs/dbraw/zinc/70/80/78/374708078.db2.gz YCRANBHYMBVRJJ-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP CCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667199 374710419 /nfs/dbraw/zinc/71/04/19/374710419.db2.gz WJJCENQAWDKNKS-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706292 374719075 /nfs/dbraw/zinc/71/90/75/374719075.db2.gz PREFDRQUSZLXGY-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000186176827 374808949 /nfs/dbraw/zinc/80/89/49/374808949.db2.gz ILZIFCVSIUJDIR-GFCCVEGCSA-N 2 1 293.436 3.393 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3occc3c2)CC[N@@H+]1C ZINC000289483537 197370260 /nfs/dbraw/zinc/37/02/60/197370260.db2.gz BWZWEZJURFRQBE-BBRMVZONSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3occc3c2)CC[N@H+]1C ZINC000289483537 197370261 /nfs/dbraw/zinc/37/02/61/197370261.db2.gz BWZWEZJURFRQBE-BBRMVZONSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3occc3c2)CC[NH+]1C ZINC000289483537 197370263 /nfs/dbraw/zinc/37/02/63/197370263.db2.gz BWZWEZJURFRQBE-BBRMVZONSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3occc3c2)CC[NH+]1C ZINC000289483537 197370265 /nfs/dbraw/zinc/37/02/65/197370265.db2.gz BWZWEZJURFRQBE-BBRMVZONSA-N 2 1 272.392 3.347 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000186993767 374953291 /nfs/dbraw/zinc/95/32/91/374953291.db2.gz CDCGKMWRARHSFQ-PKOBYXMFSA-N 2 1 286.463 3.328 20 0 CGADMP Cc1cc2[nH]c(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c(C)c1 ZINC000334699845 374985375 /nfs/dbraw/zinc/98/53/75/374985375.db2.gz LKRNHBCFYAFKBG-HUUCEWRRSA-N 2 1 285.435 3.357 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000472288036 375016028 /nfs/dbraw/zinc/01/60/28/375016028.db2.gz QQBVFKLYNDXGRV-MRXNPFEDSA-N 2 1 284.488 3.245 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187708754 375079263 /nfs/dbraw/zinc/07/92/63/375079263.db2.gz SXBOMWVXKNXNST-MSOLQXFVSA-N 2 1 272.436 3.181 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000189030886 375312545 /nfs/dbraw/zinc/31/25/45/375312545.db2.gz AQTSDXZQBNMZFY-MRXNPFEDSA-N 2 1 272.436 3.167 20 0 CGADMP C[N@H+]1CC[C@]2(CCN(C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699107 375355617 /nfs/dbraw/zinc/35/56/17/375355617.db2.gz AJKRPFPJWMFNIX-YATRRXNKSA-N 2 1 292.373 3.006 20 0 CGADMP CC(C)OC1CC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000189519547 375402749 /nfs/dbraw/zinc/40/27/49/375402749.db2.gz OOPBQUMBVOZVNR-GTPINHCMSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000191701367 375654290 /nfs/dbraw/zinc/65/42/90/375654290.db2.gz JKQXFZMETTXIMF-LSDHHAIUSA-N 2 1 252.446 3.131 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000123991683 542029623 /nfs/dbraw/zinc/02/96/23/542029623.db2.gz NKZSTHQYELHOGP-KSSFIOAISA-N 2 1 270.420 3.097 20 0 CGADMP CC1CCC([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123925063 542029744 /nfs/dbraw/zinc/02/97/44/542029744.db2.gz JOWQCVIQKMMXPZ-UHFFFAOYSA-N 2 1 272.436 3.343 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000508132162 375737617 /nfs/dbraw/zinc/73/76/17/375737617.db2.gz QBOITSVMWDSDBC-XOQYZJNISA-N 2 1 272.436 3.411 20 0 CGADMP CC(C[NH+]1CCCC[C@@H]1C)C[N@H+]1CCCC[C@@H]1C ZINC000510261807 375785331 /nfs/dbraw/zinc/78/53/31/375785331.db2.gz QJULSJRBKVGBMS-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)CC1CCC1)[NH+]1CCCC1 ZINC000128905296 542053917 /nfs/dbraw/zinc/05/39/17/542053917.db2.gz WBCWXWLGCORNHG-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)CC1CCC1)[NH+]1CCCC1 ZINC000128905520 542053935 /nfs/dbraw/zinc/05/39/35/542053935.db2.gz WBCWXWLGCORNHG-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000192922766 375802702 /nfs/dbraw/zinc/80/27/02/375802702.db2.gz PTOFNQWAPOAKSM-AEFFLSMTSA-N 2 1 295.430 3.254 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000192922766 375802708 /nfs/dbraw/zinc/80/27/08/375802708.db2.gz PTOFNQWAPOAKSM-AEFFLSMTSA-N 2 1 295.430 3.254 20 0 CGADMP CCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000193020214 375814830 /nfs/dbraw/zinc/81/48/30/375814830.db2.gz JZTJOFQOJQSESB-GOOCMWNKSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000193341328 375863442 /nfs/dbraw/zinc/86/34/42/375863442.db2.gz NAGRHEQBZCQBCR-ZBFHGGJFSA-N 2 1 254.462 3.235 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193332572 375861509 /nfs/dbraw/zinc/86/15/09/375861509.db2.gz HIDLEOURTUFIKP-ZACQAIPSSA-N 2 1 264.457 3.252 20 0 CGADMP CCO[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000193430219 375874833 /nfs/dbraw/zinc/87/48/33/375874833.db2.gz KAHVDEYULQHPJM-NJAFHUGGSA-N 2 1 290.451 3.084 20 0 CGADMP C[C@H](Nc1cccc2cc[nH+]cc21)C1CC[NH+](C)CC1 ZINC000131438401 542070165 /nfs/dbraw/zinc/07/01/65/542070165.db2.gz OQBPXDDPESVMHL-ZDUSSCGKSA-N 2 1 269.392 3.377 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000194013030 375950501 /nfs/dbraw/zinc/95/05/01/375950501.db2.gz AOORRVOIYHKNAS-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000194013030 375950511 /nfs/dbraw/zinc/95/05/11/375950511.db2.gz AOORRVOIYHKNAS-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000336840796 376003370 /nfs/dbraw/zinc/00/33/70/376003370.db2.gz NCPYCYKPULWJGP-GOSISDBHSA-N 2 1 283.419 3.289 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000336840796 376003380 /nfs/dbraw/zinc/00/33/80/376003380.db2.gz NCPYCYKPULWJGP-GOSISDBHSA-N 2 1 283.419 3.289 20 0 CGADMP CCC[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000194537306 376015892 /nfs/dbraw/zinc/01/58/92/376015892.db2.gz KNPQVUVJFTYFTO-OKZBNKHCSA-N 2 1 272.436 3.064 20 0 CGADMP CCC[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000194537306 376015898 /nfs/dbraw/zinc/01/58/98/376015898.db2.gz KNPQVUVJFTYFTO-OKZBNKHCSA-N 2 1 272.436 3.064 20 0 CGADMP CCC[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000194537306 376015903 /nfs/dbraw/zinc/01/59/03/376015903.db2.gz KNPQVUVJFTYFTO-OKZBNKHCSA-N 2 1 272.436 3.064 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000194831653 376046914 /nfs/dbraw/zinc/04/69/14/376046914.db2.gz KZOZKNPQQUQFEJ-LBPRGKRZSA-N 2 1 252.427 3.011 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1ccccc1 ZINC000195632383 376115362 /nfs/dbraw/zinc/11/53/62/376115362.db2.gz QWEQIMZEURBKME-UHFFFAOYSA-N 2 1 260.425 3.037 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536068900 376077942 /nfs/dbraw/zinc/07/79/42/376077942.db2.gz OOVUXXGJXIUFSO-QWHCGFSZSA-N 2 1 273.355 3.110 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)CC2)[C@@H](C)C1 ZINC000536857919 376137511 /nfs/dbraw/zinc/13/75/11/376137511.db2.gz MIVHFENRJHUXIJ-XSLAGTTESA-N 2 1 296.499 3.292 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c2ccccc12 ZINC000215977331 376154121 /nfs/dbraw/zinc/15/41/21/376154121.db2.gz JSWATYFYSMBKSK-UONOGXRCSA-N 2 1 284.403 3.018 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000537309588 376162337 /nfs/dbraw/zinc/16/23/37/376162337.db2.gz ODSHACXKMAEDHF-JFIYKMOQSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000538953587 376281340 /nfs/dbraw/zinc/28/13/40/376281340.db2.gz IFTWNCHCPNVTSJ-KBAYOESNSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000538953587 376281345 /nfs/dbraw/zinc/28/13/45/376281345.db2.gz IFTWNCHCPNVTSJ-KBAYOESNSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000538953587 376281349 /nfs/dbraw/zinc/28/13/49/376281349.db2.gz IFTWNCHCPNVTSJ-KBAYOESNSA-N 2 1 278.484 3.476 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000338319773 376331851 /nfs/dbraw/zinc/33/18/51/376331851.db2.gz RRZDYEUGOWNIOR-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C12CCCC2 ZINC000224589682 376284468 /nfs/dbraw/zinc/28/44/68/376284468.db2.gz GBJUJFGQNBHVAN-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000338362356 376351287 /nfs/dbraw/zinc/35/12/87/376351287.db2.gz FDOLGKRUNSVKQT-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000338362356 376351296 /nfs/dbraw/zinc/35/12/96/376351296.db2.gz FDOLGKRUNSVKQT-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000226506850 376361938 /nfs/dbraw/zinc/36/19/38/376361938.db2.gz CDYWBBYZVOVFPJ-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000540166497 376363007 /nfs/dbraw/zinc/36/30/07/376363007.db2.gz ZSZLMZSUBWKPPW-CZUORRHYSA-N 2 1 288.460 3.374 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000541537883 376454477 /nfs/dbraw/zinc/45/44/77/376454477.db2.gz SVWKRUVSKHCQGU-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000541537883 376454479 /nfs/dbraw/zinc/45/44/79/376454479.db2.gz SVWKRUVSKHCQGU-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000541537883 376454481 /nfs/dbraw/zinc/45/44/81/376454481.db2.gz SVWKRUVSKHCQGU-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)CC1CCCCC1 ZINC000541790925 376483890 /nfs/dbraw/zinc/48/38/90/376483890.db2.gz OKFYJKLSWMAMSF-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000541909004 376493132 /nfs/dbraw/zinc/49/31/32/376493132.db2.gz JONDVIGELCGHBB-FUHWJXTLSA-N 2 1 274.452 3.139 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000338957169 376600656 /nfs/dbraw/zinc/60/06/56/376600656.db2.gz FJKCSAKWXYMRMF-KGLIPLIRSA-N 2 1 281.469 3.091 20 0 CGADMP CCN1CC[C@H]([N@@H+](C)[C@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093562 376605102 /nfs/dbraw/zinc/60/51/02/376605102.db2.gz MGKFFKZPTIBJRY-YCPHGPKFSA-N 2 1 280.481 3.484 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093562 376605123 /nfs/dbraw/zinc/60/51/23/376605123.db2.gz MGKFFKZPTIBJRY-YCPHGPKFSA-N 2 1 280.481 3.484 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093562 376605132 /nfs/dbraw/zinc/60/51/32/376605132.db2.gz MGKFFKZPTIBJRY-YCPHGPKFSA-N 2 1 280.481 3.484 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000543091492 376605896 /nfs/dbraw/zinc/60/58/96/376605896.db2.gz LXOZJDRPCQBSBB-DOTOQJQBSA-N 2 1 292.492 3.487 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@@H]21 ZINC000231720803 376568892 /nfs/dbraw/zinc/56/88/92/376568892.db2.gz OCIFRPXVTWCEOI-RIEGTJTDSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@@H]21 ZINC000231720803 376568899 /nfs/dbraw/zinc/56/88/99/376568899.db2.gz OCIFRPXVTWCEOI-RIEGTJTDSA-N 2 1 282.790 3.038 20 0 CGADMP CCCC1CCC(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000542840284 376585945 /nfs/dbraw/zinc/58/59/45/376585945.db2.gz PAADBKQBOIJXSD-OFLPRAFFSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339065961 376658737 /nfs/dbraw/zinc/65/87/37/376658737.db2.gz CMWXZTLIFCOQNA-CVEARBPZSA-N 2 1 290.476 3.304 20 0 CGADMP C[C@H](Cc1ccsc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000544010725 376694954 /nfs/dbraw/zinc/69/49/54/376694954.db2.gz ZLBISEQAWUCSBN-GDBMZVCRSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000544010725 376694957 /nfs/dbraw/zinc/69/49/57/376694957.db2.gz ZLBISEQAWUCSBN-GDBMZVCRSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000544010725 376694961 /nfs/dbraw/zinc/69/49/61/376694961.db2.gz ZLBISEQAWUCSBN-GDBMZVCRSA-N 2 1 280.481 3.485 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)C[C@H]1c1ccccc1 ZINC000339455016 376759598 /nfs/dbraw/zinc/75/95/98/376759598.db2.gz MAWIYLHVRMKVFB-PKOBYXMFSA-N 2 1 295.430 3.431 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000135710661 542088971 /nfs/dbraw/zinc/08/89/71/542088971.db2.gz YTWRXLGJTMJOFT-HNNXBMFYSA-N 2 1 262.441 3.284 20 0 CGADMP [NH3+]C[C@@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000339408920 376751047 /nfs/dbraw/zinc/75/10/47/376751047.db2.gz FWTRJQZEDTYWID-NSHDSACASA-N 2 1 287.234 3.207 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000339408920 376751051 /nfs/dbraw/zinc/75/10/51/376751051.db2.gz FWTRJQZEDTYWID-NSHDSACASA-N 2 1 287.234 3.207 20 0 CGADMP Cc1ncccc1CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000151281033 542101324 /nfs/dbraw/zinc/10/13/24/542101324.db2.gz KVDVBJCIRJYKPW-HNAYVOBHSA-N 2 1 295.430 3.143 20 0 CGADMP Cc1ncccc1CN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000151281033 542101326 /nfs/dbraw/zinc/10/13/26/542101326.db2.gz KVDVBJCIRJYKPW-HNAYVOBHSA-N 2 1 295.430 3.143 20 0 CGADMP CCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000144243469 542096834 /nfs/dbraw/zinc/09/68/34/542096834.db2.gz TUYMPMHSZWOMAU-UHFFFAOYSA-N 2 1 289.810 3.420 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000545517667 376827454 /nfs/dbraw/zinc/82/74/54/376827454.db2.gz XARZIBPAABCPDH-HNNXBMFYSA-N 2 1 289.467 3.417 20 0 CGADMP CCC[C@]1(C)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245565112 376855796 /nfs/dbraw/zinc/85/57/96/376855796.db2.gz DOXPMXHBBSZROD-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@]1(C)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245565112 376855800 /nfs/dbraw/zinc/85/58/00/376855800.db2.gz DOXPMXHBBSZROD-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@]1(C)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245565112 376855803 /nfs/dbraw/zinc/85/58/03/376855803.db2.gz DOXPMXHBBSZROD-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000245601452 376865341 /nfs/dbraw/zinc/86/53/41/376865341.db2.gz MMLAODIAKMWQFX-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000245601452 376865344 /nfs/dbraw/zinc/86/53/44/376865344.db2.gz MMLAODIAKMWQFX-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000245601452 376865345 /nfs/dbraw/zinc/86/53/45/376865345.db2.gz MMLAODIAKMWQFX-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000556869949 376893986 /nfs/dbraw/zinc/89/39/86/376893986.db2.gz CBXZRHWEXPWIFL-QRVBRYPASA-N 2 1 286.463 3.308 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000556869868 376895091 /nfs/dbraw/zinc/89/50/91/376895091.db2.gz CUXYQAFTNDUCTJ-BMRXWSCTSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000556869868 376895101 /nfs/dbraw/zinc/89/51/01/376895101.db2.gz CUXYQAFTNDUCTJ-BMRXWSCTSA-N 2 1 250.430 3.026 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000556870543 376895831 /nfs/dbraw/zinc/89/58/31/376895831.db2.gz OSBACRFRRLPGPM-IPMKNSEASA-N 2 1 286.463 3.308 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245816484 376912648 /nfs/dbraw/zinc/91/26/48/376912648.db2.gz JKGMINLZAJNUQS-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245816484 376912659 /nfs/dbraw/zinc/91/26/59/376912659.db2.gz JKGMINLZAJNUQS-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245816484 376912671 /nfs/dbraw/zinc/91/26/71/376912671.db2.gz JKGMINLZAJNUQS-KGLIPLIRSA-N 2 1 264.388 3.160 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)C2 ZINC000245905933 376931923 /nfs/dbraw/zinc/93/19/23/376931923.db2.gz FGTMPRGMKMMWTO-KJGCVMFHSA-N 2 1 272.436 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)C2 ZINC000245905933 376931930 /nfs/dbraw/zinc/93/19/30/376931930.db2.gz FGTMPRGMKMMWTO-KJGCVMFHSA-N 2 1 272.436 3.301 20 0 CGADMP COC(C)(C)[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000340186550 376939887 /nfs/dbraw/zinc/93/98/87/376939887.db2.gz SGRASFZPCKBQHY-HUUCEWRRSA-N 2 1 270.461 3.044 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000340198124 376947302 /nfs/dbraw/zinc/94/73/02/376947302.db2.gz CSSGTLYPUOVORG-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164081 376978427 /nfs/dbraw/zinc/97/84/27/376978427.db2.gz IDEXSBBIKMEHRC-QFBILLFUSA-N 2 1 284.447 3.482 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)[C@H](C)C2 ZINC000246034300 376957166 /nfs/dbraw/zinc/95/71/66/376957166.db2.gz WIORRIUXJWBBHJ-SPYBWZPUSA-N 2 1 284.447 3.302 20 0 CGADMP C[N@H+](CCOc1ccc(Cl)cc1)CC[C@@H]1CCC[NH+]1C ZINC000340370741 377025938 /nfs/dbraw/zinc/02/59/38/377025938.db2.gz FWTXBWKOTVAGDK-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[N@@H+](CCOc1ccc(Cl)cc1)CC[C@@H]1CCC[NH+]1C ZINC000340370741 377025943 /nfs/dbraw/zinc/02/59/43/377025943.db2.gz FWTXBWKOTVAGDK-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1ccc(Cl)cc1)CC[C@@H]1CCC[N@@H+]1C ZINC000340370741 377025945 /nfs/dbraw/zinc/02/59/45/377025945.db2.gz FWTXBWKOTVAGDK-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1ccc(Cl)cc1)CC[C@@H]1CCC[N@H+]1C ZINC000340370741 377025949 /nfs/dbraw/zinc/02/59/49/377025949.db2.gz FWTXBWKOTVAGDK-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558699492 377035550 /nfs/dbraw/zinc/03/55/50/377035550.db2.gz QPGSCAXLIGMWLH-NXOAAHMSSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000558255477 376991243 /nfs/dbraw/zinc/99/12/43/376991243.db2.gz HEBQGBHCWXNVFF-UKMLZYKCSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000558255477 376991250 /nfs/dbraw/zinc/99/12/50/376991250.db2.gz HEBQGBHCWXNVFF-UKMLZYKCSA-N 2 1 294.389 3.283 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000246275456 377002099 /nfs/dbraw/zinc/00/20/99/377002099.db2.gz BALSRYUZGAUCBB-UHOFOFEASA-N 2 1 296.842 3.100 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(C)CC2)[C@@H](C)C1 ZINC000246882477 377110791 /nfs/dbraw/zinc/11/07/91/377110791.db2.gz DZYZUELPXZMHMR-BHDPWAOGSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CCC1 ZINC000246581909 377056056 /nfs/dbraw/zinc/05/60/56/377056056.db2.gz YSGURRNBFJPPQP-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246573972 377056421 /nfs/dbraw/zinc/05/64/21/377056421.db2.gz LMYWEFWGFFHLIC-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246573972 377056431 /nfs/dbraw/zinc/05/64/31/377056431.db2.gz LMYWEFWGFFHLIC-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246573972 377056437 /nfs/dbraw/zinc/05/64/37/377056437.db2.gz LMYWEFWGFFHLIC-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246573972 377056447 /nfs/dbraw/zinc/05/64/47/377056447.db2.gz LMYWEFWGFFHLIC-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C12CCCCC2 ZINC000246722017 377077211 /nfs/dbraw/zinc/07/72/11/377077211.db2.gz DDNDWAZHZHFTNK-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C12CCCCC2 ZINC000246782329 377087483 /nfs/dbraw/zinc/08/74/83/377087483.db2.gz HJCCNEUPBRKHSI-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246846639 377101610 /nfs/dbraw/zinc/10/16/10/377101610.db2.gz VKZNZLYAZJPMSV-HZPDHXFCSA-N 2 1 250.430 3.053 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@@H]2CCC[C@@H]21 ZINC000560546369 377168190 /nfs/dbraw/zinc/16/81/90/377168190.db2.gz QXLBKSMBPZFPSJ-MJUPKGCFSA-N 2 1 296.458 3.035 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560702293 377188745 /nfs/dbraw/zinc/18/87/45/377188745.db2.gz RPLVNYVPHUYPKY-HNNXBMFYSA-N 2 1 254.462 3.473 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(OC)c1 ZINC000340679639 377210926 /nfs/dbraw/zinc/21/09/26/377210926.db2.gz DCMHBXBQAXAYQB-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(OC)c1 ZINC000340679639 377210929 /nfs/dbraw/zinc/21/09/29/377210929.db2.gz DCMHBXBQAXAYQB-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000248008781 377258242 /nfs/dbraw/zinc/25/82/42/377258242.db2.gz LAGDVTFDWVCXBQ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000248008781 377258246 /nfs/dbraw/zinc/25/82/46/377258246.db2.gz LAGDVTFDWVCXBQ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000248008781 377258251 /nfs/dbraw/zinc/25/82/51/377258251.db2.gz LAGDVTFDWVCXBQ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@H]21 ZINC000248008781 377258257 /nfs/dbraw/zinc/25/82/57/377258257.db2.gz LAGDVTFDWVCXBQ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000248429242 377316677 /nfs/dbraw/zinc/31/66/77/377316677.db2.gz SXOZWWHRHMGNCC-BRWVUGGUSA-N 2 1 264.457 3.300 20 0 CGADMP c1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000161586714 542160242 /nfs/dbraw/zinc/16/02/42/542160242.db2.gz ZYNUPYYLVXSLRX-QRVBRYPASA-N 2 1 284.447 3.224 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000562956344 377378299 /nfs/dbraw/zinc/37/82/99/377378299.db2.gz PIOFKZIMWSESOV-CQSZACIVSA-N 2 1 271.408 3.274 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000248882794 377420985 /nfs/dbraw/zinc/42/09/85/377420985.db2.gz RUVYYEIOXUDINA-IXDOHACOSA-N 2 1 296.499 3.289 20 0 CGADMP CC(C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249036347 377446840 /nfs/dbraw/zinc/44/68/40/377446840.db2.gz STBOVCCGZNPZHI-ZSNVMCELSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000248821856 377406352 /nfs/dbraw/zinc/40/63/52/377406352.db2.gz JKQXFZMETTXIMF-CABCVRRESA-N 2 1 252.446 3.131 20 0 CGADMP COc1cc(Cl)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000563135902 377408392 /nfs/dbraw/zinc/40/83/92/377408392.db2.gz VVSOZBWYRBWEOS-RKDXNWHRSA-N 2 1 291.222 3.217 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCC=CO2)C1 ZINC000248875114 377418754 /nfs/dbraw/zinc/41/87/54/377418754.db2.gz JBWSFVQLESQHCP-SQNIBIBYSA-N 2 1 292.467 3.266 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000248875114 377418759 /nfs/dbraw/zinc/41/87/59/377418759.db2.gz JBWSFVQLESQHCP-SQNIBIBYSA-N 2 1 292.467 3.266 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000248875114 377418761 /nfs/dbraw/zinc/41/87/61/377418761.db2.gz JBWSFVQLESQHCP-SQNIBIBYSA-N 2 1 292.467 3.266 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000249074258 377457643 /nfs/dbraw/zinc/45/76/43/377457643.db2.gz KJPLHZCJGKDJFT-MLHJIOFPSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000249074258 377457648 /nfs/dbraw/zinc/45/76/48/377457648.db2.gz KJPLHZCJGKDJFT-MLHJIOFPSA-N 2 1 276.468 3.395 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120569 377465069 /nfs/dbraw/zinc/46/50/69/377465069.db2.gz TYEUSVXVDMQPCM-YESZJQIVSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120569 377465073 /nfs/dbraw/zinc/46/50/73/377465073.db2.gz TYEUSVXVDMQPCM-YESZJQIVSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120569 377465078 /nfs/dbraw/zinc/46/50/78/377465078.db2.gz TYEUSVXVDMQPCM-YESZJQIVSA-N 2 1 264.457 3.252 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249146856 377469693 /nfs/dbraw/zinc/46/96/93/377469693.db2.gz WZGPKHOLAGDISO-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249246432 377481002 /nfs/dbraw/zinc/48/10/02/377481002.db2.gz BDDZCWAVRMCNBD-YTQUADARSA-N 2 1 286.463 3.380 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000249317379 377489989 /nfs/dbraw/zinc/48/99/89/377489989.db2.gz PULRJTUVQQYZBA-GLJUWKHASA-N 2 1 299.418 3.256 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249406084 377498481 /nfs/dbraw/zinc/49/84/81/377498481.db2.gz WOPXYSSDSQMJMQ-AVGNSLFASA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249406084 377498490 /nfs/dbraw/zinc/49/84/90/377498490.db2.gz WOPXYSSDSQMJMQ-AVGNSLFASA-N 2 1 280.378 3.427 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000090720190 249029846 /nfs/dbraw/zinc/02/98/46/249029846.db2.gz SCEBDDBLFBNCDO-FZMZJTMJSA-N 2 1 286.341 3.278 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC ZINC000037648805 249003039 /nfs/dbraw/zinc/00/30/39/249003039.db2.gz INMSNIOKZLJYLC-YOEHRIQHSA-N 2 1 288.435 3.220 20 0 CGADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166642820 542174453 /nfs/dbraw/zinc/17/44/53/542174453.db2.gz IILZGNBXFZKFPM-QBPKDAKJSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312913444 249082912 /nfs/dbraw/zinc/08/29/12/249082912.db2.gz BFBAWYXRIAGOPZ-UXLLHSPISA-N 2 1 276.399 3.208 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166644390 542175075 /nfs/dbraw/zinc/17/50/75/542175075.db2.gz ZUOBAUDDJLZMNX-QZTJIDSGSA-N 2 1 272.436 3.008 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000168758147 542178371 /nfs/dbraw/zinc/17/83/71/542178371.db2.gz HXIHQSSXLHBYQN-CKEIUWERSA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000168758147 542178374 /nfs/dbraw/zinc/17/83/74/542178374.db2.gz HXIHQSSXLHBYQN-CKEIUWERSA-N 2 1 276.399 3.493 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000469864610 249160495 /nfs/dbraw/zinc/16/04/95/249160495.db2.gz WCRKYCWLAIJMAX-CHWSQXEVSA-N 2 1 266.816 3.126 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000250908733 377569177 /nfs/dbraw/zinc/56/91/77/377569177.db2.gz SVMOYTNLMJEQOE-RCBQFDQVSA-N 2 1 262.372 3.103 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250976748 377571436 /nfs/dbraw/zinc/57/14/36/377571436.db2.gz CNLLVMOEPBHVHG-PMPSAXMXSA-N 2 1 258.409 3.272 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000515087252 249201968 /nfs/dbraw/zinc/20/19/68/249201968.db2.gz GMHUJTNPHCHKHS-YJBOKZPZSA-N 2 1 274.452 3.254 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000515087252 249201969 /nfs/dbraw/zinc/20/19/69/249201969.db2.gz GMHUJTNPHCHKHS-YJBOKZPZSA-N 2 1 274.452 3.254 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000516337320 249232254 /nfs/dbraw/zinc/23/22/54/249232254.db2.gz GECNBHORGPVKAW-VNHYZAJKSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000516337320 249232257 /nfs/dbraw/zinc/23/22/57/249232257.db2.gz GECNBHORGPVKAW-VNHYZAJKSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516337320 249232259 /nfs/dbraw/zinc/23/22/59/249232259.db2.gz GECNBHORGPVKAW-VNHYZAJKSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516337320 249232262 /nfs/dbraw/zinc/23/22/62/249232262.db2.gz GECNBHORGPVKAW-VNHYZAJKSA-N 2 1 266.454 3.094 20 0 CGADMP CCC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251650563 377593682 /nfs/dbraw/zinc/59/36/82/377593682.db2.gz NJJKBNRWZKDJIR-GQGLESIBSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000251792769 377597133 /nfs/dbraw/zinc/59/71/33/377597133.db2.gz WICNMZDMPFOGNP-UVBJJODRSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000251792769 377597138 /nfs/dbraw/zinc/59/71/38/377597138.db2.gz WICNMZDMPFOGNP-UVBJJODRSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000252194791 377617281 /nfs/dbraw/zinc/61/72/81/377617281.db2.gz VJOCMFBHIPHOBC-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000252194791 377617282 /nfs/dbraw/zinc/61/72/82/377617282.db2.gz VJOCMFBHIPHOBC-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP CCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252674040 377649561 /nfs/dbraw/zinc/64/95/61/377649561.db2.gz OAKPDLWGHCTBLU-CKUJCDMFSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000252711037 377654728 /nfs/dbraw/zinc/65/47/28/377654728.db2.gz IIUVFNROBKHKQH-YWPUVAFDSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000252711037 377654735 /nfs/dbraw/zinc/65/47/35/377654735.db2.gz IIUVFNROBKHKQH-YWPUVAFDSA-N 2 1 278.362 3.037 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000342560481 377660232 /nfs/dbraw/zinc/66/02/32/377660232.db2.gz ZAYMXRJWTQCMMX-KRWDZBQOSA-N 2 1 287.382 3.038 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000342560481 377660234 /nfs/dbraw/zinc/66/02/34/377660234.db2.gz ZAYMXRJWTQCMMX-KRWDZBQOSA-N 2 1 287.382 3.038 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252790000 377663936 /nfs/dbraw/zinc/66/39/36/377663936.db2.gz YLAMYCILCHAIRE-LOWVWBTDSA-N 2 1 252.789 3.070 20 0 CGADMP COCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000252802739 377665523 /nfs/dbraw/zinc/66/55/23/377665523.db2.gz USCOFRMBZCSPMU-CRAIPNDOSA-N 2 1 299.418 3.113 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000574801749 377710362 /nfs/dbraw/zinc/71/03/62/377710362.db2.gz MAKWLLUYFRCGLG-CYBMUJFWSA-N 2 1 298.833 3.343 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000261591023 377823670 /nfs/dbraw/zinc/82/36/70/377823670.db2.gz XJNAITDMRMESJX-SECBINFHSA-N 2 1 260.303 3.093 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000261884126 377863516 /nfs/dbraw/zinc/86/35/16/377863516.db2.gz RNKBPAKAVPCSIV-XOKHGSTOSA-N 2 1 276.399 3.208 20 0 CGADMP C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261929389 377869953 /nfs/dbraw/zinc/86/99/53/377869953.db2.gz LHQPXEXBVLFUOC-AJSFGMTHSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000261941762 377871521 /nfs/dbraw/zinc/87/15/21/377871521.db2.gz DTEVYZFTAWYMLH-BPQIPLTHSA-N 2 1 272.436 3.112 20 0 CGADMP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000261976400 377874273 /nfs/dbraw/zinc/87/42/73/377874273.db2.gz ITDJPHTUPZPCRA-MOPGFXCFSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262002286 377877808 /nfs/dbraw/zinc/87/78/08/377877808.db2.gz UGAIBSOHVSDDFG-WMLDXEAASA-N 2 1 288.435 3.035 20 0 CGADMP Cc1nc2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2s1 ZINC000261998045 377878666 /nfs/dbraw/zinc/87/86/66/377878666.db2.gz TUSORDLGTZPKPB-ZDUSSCGKSA-N 2 1 289.448 3.166 20 0 CGADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2n1 ZINC000262364131 377895024 /nfs/dbraw/zinc/89/50/24/377895024.db2.gz WRECHVSYTXVHCV-SJPCQFCGSA-N 2 1 295.430 3.258 20 0 CGADMP CCC1(CC)[C@H]([N@@H+](C)CCCn2ccnc2C)C[C@@H]1OC ZINC000342863902 377847600 /nfs/dbraw/zinc/84/76/00/377847600.db2.gz KGEFHMOCOSWZCZ-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP CCC1(CC)[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C[C@@H]1OC ZINC000342863902 377847605 /nfs/dbraw/zinc/84/76/05/377847605.db2.gz KGEFHMOCOSWZCZ-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP CCC1(CC)[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C[C@@H]1OC ZINC000342863902 377847614 /nfs/dbraw/zinc/84/76/14/377847614.db2.gz KGEFHMOCOSWZCZ-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000261782110 377852984 /nfs/dbraw/zinc/85/29/84/377852984.db2.gz FLQRZJCWYNNTNJ-ZDUSSCGKSA-N 2 1 296.842 3.168 20 0 CGADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000261782110 377852991 /nfs/dbraw/zinc/85/29/91/377852991.db2.gz FLQRZJCWYNNTNJ-ZDUSSCGKSA-N 2 1 296.842 3.168 20 0 CGADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)Cc1ccsc1 ZINC000261773941 377853237 /nfs/dbraw/zinc/85/32/37/377853237.db2.gz DXDSAZXEUUIOQK-CYBMUJFWSA-N 2 1 266.454 3.001 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000261773923 377853859 /nfs/dbraw/zinc/85/38/59/377853859.db2.gz DWUFUGDZJVMNJO-OAHLLOKOSA-N 2 1 294.414 3.188 20 0 CGADMP [NH3+][C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000261848983 377861278 /nfs/dbraw/zinc/86/12/78/377861278.db2.gz VBSAJMCTHJPJML-ZCNNSNEGSA-N 2 1 292.426 3.491 20 0 CGADMP [NH3+][C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000261848983 377861283 /nfs/dbraw/zinc/86/12/83/377861283.db2.gz VBSAJMCTHJPJML-ZCNNSNEGSA-N 2 1 292.426 3.491 20 0 CGADMP Cc1cnccc1CC[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000578622263 378086342 /nfs/dbraw/zinc/08/63/42/378086342.db2.gz HANXWKIPQFPJFG-LJQANCHMSA-N 2 1 296.414 3.178 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890327 378021672 /nfs/dbraw/zinc/02/16/72/378021672.db2.gz CCLXFLBFRHOMQR-IKGGRYGDSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890327 378021676 /nfs/dbraw/zinc/02/16/76/378021676.db2.gz CCLXFLBFRHOMQR-IKGGRYGDSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890327 378021679 /nfs/dbraw/zinc/02/16/79/378021679.db2.gz CCLXFLBFRHOMQR-IKGGRYGDSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000578944461 378115653 /nfs/dbraw/zinc/11/56/53/378115653.db2.gz CSQPQOXAJMRQFC-KGLIPLIRSA-N 2 1 281.403 3.002 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000268817188 378121511 /nfs/dbraw/zinc/12/15/11/378121511.db2.gz NVVAHNJRNPSOEM-OAHLLOKOSA-N 2 1 261.344 3.072 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1c(F)cccc1F ZINC000268839286 378129046 /nfs/dbraw/zinc/12/90/46/378129046.db2.gz HRJMEJBXRLYKTF-LLVKDONJSA-N 2 1 279.334 3.211 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000268874526 378137886 /nfs/dbraw/zinc/13/78/86/378137886.db2.gz QEVCPOLAMHDWLH-NSHDSACASA-N 2 1 279.334 3.211 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(F)c1 ZINC000268890418 378144427 /nfs/dbraw/zinc/14/44/27/378144427.db2.gz UHGGJVQCSSILPZ-LBPRGKRZSA-N 2 1 291.370 3.080 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000579353654 378152644 /nfs/dbraw/zinc/15/26/44/378152644.db2.gz GUCFIQQEAYZMCM-WMLDXEAASA-N 2 1 276.399 3.005 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc3cccnc32)[C@H](C)C1 ZINC000268758318 378104851 /nfs/dbraw/zinc/10/48/51/378104851.db2.gz KFWDGXCXTMCLMZ-QAPCUYQASA-N 2 1 297.446 3.097 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000268933000 378156527 /nfs/dbraw/zinc/15/65/27/378156527.db2.gz SXUZLBHSJJEPLH-SUMWQHHRSA-N 2 1 299.418 3.113 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579592166 378174479 /nfs/dbraw/zinc/17/44/79/378174479.db2.gz GOHQBLYBCGLYTQ-SFHVURJKSA-N 2 1 281.403 3.123 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(F)c1 ZINC000269064566 378183098 /nfs/dbraw/zinc/18/30/98/378183098.db2.gz YMJNOSHZWDQSAJ-ZDUSSCGKSA-N 2 1 276.399 3.493 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000269997288 378292569 /nfs/dbraw/zinc/29/25/69/378292569.db2.gz WYPGTBQTHLZNQY-DLBZAZTESA-N 2 1 297.446 3.235 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000580180576 378229337 /nfs/dbraw/zinc/22/93/37/378229337.db2.gz ZFTCGBSSHQOHDI-VNHYZAJKSA-N 2 1 250.430 3.028 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000582387712 378309450 /nfs/dbraw/zinc/30/94/50/378309450.db2.gz IYZUZGFHDRIIAF-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000582387712 378309455 /nfs/dbraw/zinc/30/94/55/378309455.db2.gz IYZUZGFHDRIIAF-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000582387712 378309462 /nfs/dbraw/zinc/30/94/62/378309462.db2.gz IYZUZGFHDRIIAF-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000582387712 378309467 /nfs/dbraw/zinc/30/94/67/378309467.db2.gz IYZUZGFHDRIIAF-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000583971402 378362423 /nfs/dbraw/zinc/36/24/23/378362423.db2.gz HUEMICOFJXPGQE-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000583971402 378362426 /nfs/dbraw/zinc/36/24/26/378362426.db2.gz HUEMICOFJXPGQE-NVXWUHKLSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000583322519 378322558 /nfs/dbraw/zinc/32/25/58/378322558.db2.gz MTRGFZNIKBURQU-OCCSQVGLSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000583322519 378322563 /nfs/dbraw/zinc/32/25/63/378322563.db2.gz MTRGFZNIKBURQU-OCCSQVGLSA-N 2 1 293.480 3.360 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(Cl)nc1 ZINC000270402369 378345914 /nfs/dbraw/zinc/34/59/14/378345914.db2.gz ACDYPPMJVCHHEN-LBPRGKRZSA-N 2 1 269.820 3.116 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000270402369 378345918 /nfs/dbraw/zinc/34/59/18/378345918.db2.gz ACDYPPMJVCHHEN-LBPRGKRZSA-N 2 1 269.820 3.116 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000270402369 378345924 /nfs/dbraw/zinc/34/59/24/378345924.db2.gz ACDYPPMJVCHHEN-LBPRGKRZSA-N 2 1 269.820 3.116 20 0 CGADMP CN(Cc1ccco1)Cc1cc(-n2ccnc2)cs1 ZINC000346161257 378484019 /nfs/dbraw/zinc/48/40/19/378484019.db2.gz FIZYXVBLBUCCTQ-UHFFFAOYSA-N 2 1 273.361 3.159 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000346210733 378506758 /nfs/dbraw/zinc/50/67/58/378506758.db2.gz VVDBFYRRNOSIHQ-IYBDPMFKSA-N 2 1 296.418 3.198 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271877901 378509374 /nfs/dbraw/zinc/50/93/74/378509374.db2.gz OMYMHVBBGWTGOB-KRWDZBQOSA-N 2 1 298.430 3.284 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCn1cc[nH+]c1C ZINC000346313367 378540436 /nfs/dbraw/zinc/54/04/36/378540436.db2.gz PUILATKQACONQG-SFHVURJKSA-N 2 1 299.418 3.210 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCn1cc[nH+]c1C ZINC000346313367 378540439 /nfs/dbraw/zinc/54/04/39/378540439.db2.gz PUILATKQACONQG-SFHVURJKSA-N 2 1 299.418 3.210 20 0 CGADMP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CCn2ccnc2)cc1 ZINC000346315602 378540691 /nfs/dbraw/zinc/54/06/91/378540691.db2.gz UEYXWMXISIWHDN-MSOLQXFVSA-N 2 1 283.419 3.460 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272168963 378577244 /nfs/dbraw/zinc/57/72/44/378577244.db2.gz HJKYAKKUVSTKHM-SJLPKXTDSA-N 2 1 295.430 3.082 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272168963 378577247 /nfs/dbraw/zinc/57/72/47/378577247.db2.gz HJKYAKKUVSTKHM-SJLPKXTDSA-N 2 1 295.430 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000271954355 378529049 /nfs/dbraw/zinc/52/90/49/378529049.db2.gz FDUWTSPLCJULKB-SEEUUAMPSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC[N@H+]1C ZINC000271954355 378529056 /nfs/dbraw/zinc/52/90/56/378529056.db2.gz FDUWTSPLCJULKB-SEEUUAMPSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@@H]([NH2+]Cc1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272241267 378592528 /nfs/dbraw/zinc/59/25/28/378592528.db2.gz WOVBHQFRFZPWBC-APWZRJJASA-N 2 1 295.430 3.082 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000346491416 378593904 /nfs/dbraw/zinc/59/39/04/378593904.db2.gz OEDZATCPGVDTKB-MAUKXSAKSA-N 2 1 290.451 3.184 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC000346562548 378621478 /nfs/dbraw/zinc/62/14/78/378621478.db2.gz NSLYNYQIYSOEMA-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC000346562553 378622181 /nfs/dbraw/zinc/62/21/81/378622181.db2.gz NSLYNYQIYSOEMA-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc2cccnc12 ZINC000346645668 378659901 /nfs/dbraw/zinc/65/99/01/378659901.db2.gz FFGNXQXLYSPCSM-QGZVFWFLSA-N 2 1 285.435 3.348 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)oc2cc1C ZINC000346652561 378663237 /nfs/dbraw/zinc/66/32/37/378663237.db2.gz HKUOYGAXRMMAJB-ZIAGYGMSSA-N 2 1 272.392 3.219 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000346668407 378669083 /nfs/dbraw/zinc/66/90/83/378669083.db2.gz IMXLGTCNYQAHOA-CHWSQXEVSA-N 2 1 288.366 3.255 20 0 CGADMP C(C[C@H]1CCO1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638022651 378673478 /nfs/dbraw/zinc/67/34/78/378673478.db2.gz KFGQNLTUXRNLOE-ROUUACIJSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000346693281 378677274 /nfs/dbraw/zinc/67/72/74/378677274.db2.gz LYASBJURJRCAIA-GHMZBOCLSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000346693281 378677279 /nfs/dbraw/zinc/67/72/79/378677279.db2.gz LYASBJURJRCAIA-GHMZBOCLSA-N 2 1 278.783 3.255 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346693887 378679261 /nfs/dbraw/zinc/67/92/61/378679261.db2.gz QJPKQIIGZQCESQ-INIZCTEOSA-N 2 1 278.440 3.279 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346693887 378679265 /nfs/dbraw/zinc/67/92/65/378679265.db2.gz QJPKQIIGZQCESQ-INIZCTEOSA-N 2 1 278.440 3.279 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC000638074920 378687418 /nfs/dbraw/zinc/68/74/18/378687418.db2.gz BSZIAKFRUKREPO-CQSZACIVSA-N 2 1 286.394 3.362 20 0 CGADMP CC(=O)Nc1ccc([C@H](C)NCCC[N@H+](C)C(C)C)cc1 ZINC000272755523 378698926 /nfs/dbraw/zinc/69/89/26/378698926.db2.gz JRBCWYMXBFNIMA-AWEZNQCLSA-N 2 1 291.439 3.026 20 0 CGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000272755523 378698933 /nfs/dbraw/zinc/69/89/33/378698933.db2.gz JRBCWYMXBFNIMA-AWEZNQCLSA-N 2 1 291.439 3.026 20 0 CGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000272755523 378698942 /nfs/dbraw/zinc/69/89/42/378698942.db2.gz JRBCWYMXBFNIMA-AWEZNQCLSA-N 2 1 291.439 3.026 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346848497 378694690 /nfs/dbraw/zinc/69/46/90/378694690.db2.gz DVNYGEJDBYVRJA-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC(C)(C)Oc2ccccc2)CC[N@@H+]1C ZINC000638117269 378705154 /nfs/dbraw/zinc/70/51/54/378705154.db2.gz PWWFLYZRAYPHJS-JKSUJKDBSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC(C)(C)Oc2ccccc2)CC[N@H+]1C ZINC000638117269 378705163 /nfs/dbraw/zinc/70/51/63/378705163.db2.gz PWWFLYZRAYPHJS-JKSUJKDBSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CC(C)(C)Oc2ccccc2)CC[NH+]1C ZINC000638117269 378705168 /nfs/dbraw/zinc/70/51/68/378705168.db2.gz PWWFLYZRAYPHJS-JKSUJKDBSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CC(C)(C)Oc2ccccc2)CC[NH+]1C ZINC000638117269 378705178 /nfs/dbraw/zinc/70/51/78/378705178.db2.gz PWWFLYZRAYPHJS-JKSUJKDBSA-N 2 1 290.451 3.259 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC000638123110 378708614 /nfs/dbraw/zinc/70/86/14/378708614.db2.gz OEAKUABPTGUOOE-INIZCTEOSA-N 2 1 299.462 3.342 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC000638123110 378708616 /nfs/dbraw/zinc/70/86/16/378708616.db2.gz OEAKUABPTGUOOE-INIZCTEOSA-N 2 1 299.462 3.342 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC1(F)F ZINC000638336407 378772516 /nfs/dbraw/zinc/77/25/16/378772516.db2.gz UIRMGBYTYFYUPM-CZUORRHYSA-N 2 1 294.389 3.068 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CC1(F)F ZINC000638336407 378772519 /nfs/dbraw/zinc/77/25/19/378772519.db2.gz UIRMGBYTYFYUPM-CZUORRHYSA-N 2 1 294.389 3.068 20 0 CGADMP CC[C@@](C)(C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)OC ZINC000638365564 378779362 /nfs/dbraw/zinc/77/93/62/378779362.db2.gz INTNABXZXICALJ-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348086348 378785326 /nfs/dbraw/zinc/78/53/26/378785326.db2.gz YXOJACREUJCRRT-JKSUJKDBSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348086348 378785328 /nfs/dbraw/zinc/78/53/28/378785328.db2.gz YXOJACREUJCRRT-JKSUJKDBSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348086348 378785331 /nfs/dbraw/zinc/78/53/31/378785331.db2.gz YXOJACREUJCRRT-JKSUJKDBSA-N 2 1 260.425 3.472 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638381885 378786485 /nfs/dbraw/zinc/78/64/85/378786485.db2.gz PSAMRQOGNSFZIB-KBAYOESNSA-N 2 1 272.436 3.112 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000348100613 378792325 /nfs/dbraw/zinc/79/23/25/378792325.db2.gz FIJCJTIAGSKEBU-IRXDYDNUSA-N 2 1 260.425 3.287 20 0 CGADMP CCCCOc1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000274286852 378804084 /nfs/dbraw/zinc/80/40/84/378804084.db2.gz JFBXDXQWTPETRB-UHFFFAOYSA-N 2 1 288.435 3.217 20 0 CGADMP CC[N@@H+]1CC[C@@H](N(C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142919 378811001 /nfs/dbraw/zinc/81/10/01/378811001.db2.gz ZQWJGJGMEKBNDG-NVXWUHKLSA-N 2 1 288.435 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142919 378811006 /nfs/dbraw/zinc/81/10/06/378811006.db2.gz ZQWJGJGMEKBNDG-NVXWUHKLSA-N 2 1 288.435 3.064 20 0 CGADMP Cc1cc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)oc2cc1C ZINC000346827936 218026640 /nfs/dbraw/zinc/02/66/40/218026640.db2.gz MXXANCRAONFCQA-RRQGHBQHSA-N 2 1 284.403 3.219 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC000638587211 378842943 /nfs/dbraw/zinc/84/29/43/378842943.db2.gz BXEWQMVQOHWJRC-PMPSAXMXSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638587438 378843754 /nfs/dbraw/zinc/84/37/54/378843754.db2.gz CPMCLBWOATVCEC-KBAYOESNSA-N 2 1 272.436 3.112 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000348249699 378863795 /nfs/dbraw/zinc/86/37/95/378863795.db2.gz VLCCEQYEUQWYOH-IAGOWNOFSA-N 2 1 260.425 3.110 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000348249699 378863798 /nfs/dbraw/zinc/86/37/98/378863798.db2.gz VLCCEQYEUQWYOH-IAGOWNOFSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000638709275 378884045 /nfs/dbraw/zinc/88/40/45/378884045.db2.gz QFQPSCXFCFNDOS-BZZMCLGOSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000348299939 378893742 /nfs/dbraw/zinc/89/37/42/378893742.db2.gz HEBQGBHCWXNVFF-DMRZNYOFSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000348299939 378893749 /nfs/dbraw/zinc/89/37/49/378893749.db2.gz HEBQGBHCWXNVFF-DMRZNYOFSA-N 2 1 294.389 3.283 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348265827 378873123 /nfs/dbraw/zinc/87/31/23/378873123.db2.gz XDHGVXNBMCDFNB-MSOLQXFVSA-N 2 1 283.419 3.365 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H]2CCC[NH2+]C2)s1 ZINC000346976814 218076652 /nfs/dbraw/zinc/07/66/52/218076652.db2.gz KBVRBILCAXGHGO-OLZOCXBDSA-N 2 1 281.469 3.006 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)s1 ZINC000346976814 218076653 /nfs/dbraw/zinc/07/66/53/218076653.db2.gz KBVRBILCAXGHGO-OLZOCXBDSA-N 2 1 281.469 3.006 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000638788691 378912319 /nfs/dbraw/zinc/91/23/19/378912319.db2.gz PXXKLRXRJFEAPM-MRXNPFEDSA-N 2 1 284.513 3.087 20 0 CGADMP CC[C@](C)(C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638973220 378963594 /nfs/dbraw/zinc/96/35/94/378963594.db2.gz YOTNSPPOASZQRF-HLLBOEOZSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000300135600 296285099 /nfs/dbraw/zinc/28/50/99/296285099.db2.gz JJOHOYUSLNQUPQ-SDKNFDLMSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000300135600 296285100 /nfs/dbraw/zinc/28/51/00/296285100.db2.gz JJOHOYUSLNQUPQ-SDKNFDLMSA-N 2 1 264.457 3.416 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC)c(F)c2)C1 ZINC000278589836 194059876 /nfs/dbraw/zinc/05/98/76/194059876.db2.gz ZKQJSUFZJUWUSR-HNNXBMFYSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC)c(F)c2)C1 ZINC000278589836 194059879 /nfs/dbraw/zinc/05/98/79/194059879.db2.gz ZKQJSUFZJUWUSR-HNNXBMFYSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@@H+](C/C=C\c1ccccc1OC)C1CC[NH2+]CC1 ZINC000347085933 218117350 /nfs/dbraw/zinc/11/73/50/218117350.db2.gz BHMPUSKAMYWRGM-VURMDHGXSA-N 2 1 288.435 3.172 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)oc2cc1C ZINC000347091857 218118855 /nfs/dbraw/zinc/11/88/55/218118855.db2.gz GSLJLUMGUFIGFI-BBRMVZONSA-N 2 1 272.392 3.219 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347187679 218149669 /nfs/dbraw/zinc/14/96/69/218149669.db2.gz CJINYNPAOPSWEB-HUUCEWRRSA-N 2 1 276.424 3.033 20 0 CGADMP Cc1cc(C)c(/C=C/CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)c1 ZINC000639113791 379038134 /nfs/dbraw/zinc/03/81/34/379038134.db2.gz VMANBUUABRKVIB-FBLDJFESSA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000639113791 379038144 /nfs/dbraw/zinc/03/81/44/379038144.db2.gz VMANBUUABRKVIB-FBLDJFESSA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000639113791 379038149 /nfs/dbraw/zinc/03/81/49/379038149.db2.gz VMANBUUABRKVIB-FBLDJFESSA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000639113791 379038159 /nfs/dbraw/zinc/03/81/59/379038159.db2.gz VMANBUUABRKVIB-FBLDJFESSA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000639113791 379038168 /nfs/dbraw/zinc/03/81/68/379038168.db2.gz VMANBUUABRKVIB-FBLDJFESSA-N 2 1 284.447 3.118 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639217706 379153897 /nfs/dbraw/zinc/15/38/97/379153897.db2.gz JVKFFYJMIFQPKT-RDBSUJKOSA-N 2 1 274.399 3.130 20 0 CGADMP CC[C@H](C)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000347572313 218277187 /nfs/dbraw/zinc/27/71/87/218277187.db2.gz SHSDSVDVJLBIIP-INIZCTEOSA-N 2 1 284.488 3.103 20 0 CGADMP C[C@H](CC[NH2+]C[C@H]1CCSC1)[N@@H+](C)Cc1ccccc1 ZINC000278319036 379345357 /nfs/dbraw/zinc/34/53/57/379345357.db2.gz DSQVDQWUXIXTCS-NVXWUHKLSA-N 2 1 292.492 3.240 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc(C)c2)CC1 ZINC000639379425 379339565 /nfs/dbraw/zinc/33/95/65/379339565.db2.gz NRLLFZRGLHGKGJ-UHFFFAOYSA-N 2 1 260.425 3.301 20 0 CGADMP C[C@H](CC[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000278465712 379396926 /nfs/dbraw/zinc/39/69/26/379396926.db2.gz GFXYPUWWVDAXAF-OAHLLOKOSA-N 2 1 258.409 3.032 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278951115 194225978 /nfs/dbraw/zinc/22/59/78/194225978.db2.gz LKBUCVMPGCCJGP-HUUCEWRRSA-N 2 1 269.392 3.105 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000278361346 379362535 /nfs/dbraw/zinc/36/25/35/379362535.db2.gz AVRGZMVEIGXXKD-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000278361346 379362543 /nfs/dbraw/zinc/36/25/43/379362543.db2.gz AVRGZMVEIGXXKD-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000278361346 379362549 /nfs/dbraw/zinc/36/25/49/379362549.db2.gz AVRGZMVEIGXXKD-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000278361346 379362557 /nfs/dbraw/zinc/36/25/57/379362557.db2.gz AVRGZMVEIGXXKD-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC000278952552 194228076 /nfs/dbraw/zinc/22/80/76/194228076.db2.gz LMIDLUSAQSXTNU-OCCSQVGLSA-N 2 1 289.448 3.475 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681672 379545698 /nfs/dbraw/zinc/54/56/98/379545698.db2.gz AIGCRETVTUDYFR-OAHLLOKOSA-N 2 1 299.393 3.494 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000376668862 379591372 /nfs/dbraw/zinc/59/13/72/379591372.db2.gz AMUKNVSFUHSIHZ-UHFFFAOYSA-N 2 1 276.399 3.134 20 0 CGADMP CCc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756548 379570425 /nfs/dbraw/zinc/57/04/25/379570425.db2.gz WTQWZZIJQAKNGH-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP C[C@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639758328 379573043 /nfs/dbraw/zinc/57/30/43/379573043.db2.gz UBYFBRDDIUVACJ-MRXNPFEDSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000639757471 379573111 /nfs/dbraw/zinc/57/31/11/379573111.db2.gz MLHYDNRADHRWBI-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000280103948 379607312 /nfs/dbraw/zinc/60/73/12/379607312.db2.gz APJYFEGZHNSJAK-WMLDXEAASA-N 2 1 276.399 3.146 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639930361 379655330 /nfs/dbraw/zinc/65/53/30/379655330.db2.gz WCJIOPACGXUIMX-OAHLLOKOSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639930361 379655340 /nfs/dbraw/zinc/65/53/40/379655340.db2.gz WCJIOPACGXUIMX-OAHLLOKOSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(C)c1O ZINC000377634619 379711476 /nfs/dbraw/zinc/71/14/76/379711476.db2.gz XVHPLOMPTCYHGJ-UHFFFAOYSA-N 2 1 288.435 3.116 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392233472 379909997 /nfs/dbraw/zinc/90/99/97/379909997.db2.gz CHGOYMCYCJFYOP-UHFFFAOYSA-N 2 1 252.446 3.299 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000402536633 379967810 /nfs/dbraw/zinc/96/78/10/379967810.db2.gz YHXOSPPTYWPIRC-RWMBFGLXSA-N 2 1 278.362 3.181 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352766013 379949042 /nfs/dbraw/zinc/94/90/42/379949042.db2.gz UNXMFIRUGWQESO-STQMWFEESA-N 2 1 281.469 3.121 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)c(F)c1 ZINC000401753081 379959068 /nfs/dbraw/zinc/95/90/68/379959068.db2.gz PHVTYSBIIUXZCF-SNVBAGLBSA-N 2 1 281.762 3.106 20 0 CGADMP CC(C)(C)c1cc[nH+]c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000641299925 379986230 /nfs/dbraw/zinc/98/62/30/379986230.db2.gz YAWOJBVCFIYYNN-HUUCEWRRSA-N 2 1 273.424 3.418 20 0 CGADMP CC(C)(C)c1cc[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000641299925 379986232 /nfs/dbraw/zinc/98/62/32/379986232.db2.gz YAWOJBVCFIYYNN-HUUCEWRRSA-N 2 1 273.424 3.418 20 0 CGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267973343 190366291 /nfs/dbraw/zinc/36/62/91/190366291.db2.gz CNHOXACGVDSZHA-XYJFISCASA-N 2 1 290.451 3.054 20 0 CGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267973343 190366292 /nfs/dbraw/zinc/36/62/92/190366292.db2.gz CNHOXACGVDSZHA-XYJFISCASA-N 2 1 290.451 3.054 20 0 CGADMP CCCOc1cccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000352929543 380044155 /nfs/dbraw/zinc/04/41/55/380044155.db2.gz GYOMPJOIVJTTOE-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000352929543 380044162 /nfs/dbraw/zinc/04/41/62/380044162.db2.gz GYOMPJOIVJTTOE-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@H]1CCCC[C@H]1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353086835 380109233 /nfs/dbraw/zinc/10/92/33/380109233.db2.gz XGLPQRHTKBYKGA-GJZGRUSLSA-N 2 1 275.440 3.454 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2nsc3ccccc32)[C@H]1CC[NH3+] ZINC000641823634 380114511 /nfs/dbraw/zinc/11/45/11/380114511.db2.gz SYHKYOMQYMYFLG-WFASDCNBSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2nsc3ccccc32)[C@H]1CC[NH3+] ZINC000641823634 380114518 /nfs/dbraw/zinc/11/45/18/380114518.db2.gz SYHKYOMQYMYFLG-WFASDCNBSA-N 2 1 289.448 3.246 20 0 CGADMP Cc1ccccc1C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000284078922 380124354 /nfs/dbraw/zinc/12/43/54/380124354.db2.gz AZWYAWMAUYDSAM-OXQOHEQNSA-N 2 1 298.474 3.390 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000414182075 380200161 /nfs/dbraw/zinc/20/01/61/380200161.db2.gz MRCKGVQHQSOGJV-OAGGEKHMSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414199629 380202269 /nfs/dbraw/zinc/20/22/69/380202269.db2.gz XOKQNVXULPEYHT-RVKKMQEKSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353497569 380210702 /nfs/dbraw/zinc/21/07/02/380210702.db2.gz PLMDGDUVGRTOQN-JKJDWNRSSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000643058159 380211053 /nfs/dbraw/zinc/21/10/53/380211053.db2.gz JCEIRMGXLVFBRQ-UONOGXRCSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000354101104 380325356 /nfs/dbraw/zinc/32/53/56/380325356.db2.gz QSOJRTWRLWSMEM-AWEZNQCLSA-N 2 1 294.389 3.129 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+][C@H](C[NH3+])CC(C)C ZINC000643511237 380331856 /nfs/dbraw/zinc/33/18/56/380331856.db2.gz XSLMBMDDYCZPNT-STQMWFEESA-N 2 1 254.443 3.032 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643514517 380335649 /nfs/dbraw/zinc/33/56/49/380335649.db2.gz KHPRITHDJWDHJC-SJORKVTESA-N 2 1 260.425 3.041 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000643455756 380308463 /nfs/dbraw/zinc/30/84/63/380308463.db2.gz QJHRLJHEPZXHQP-YOEHRIQHSA-N 2 1 260.425 3.083 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414684820 380372997 /nfs/dbraw/zinc/37/29/97/380372997.db2.gz WXMCTLVWZPRKAX-VYDXJSESSA-N 2 1 258.409 3.212 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](CC2CC2)C2CCCCC2)CC[NH2+]1 ZINC000414695037 380378623 /nfs/dbraw/zinc/37/86/23/380378623.db2.gz OPOWSFHDZKCEEK-ZBFHGGJFSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000414707500 380382177 /nfs/dbraw/zinc/38/21/77/380382177.db2.gz ODUJRJUVOVCPFN-RYUDHWBXSA-N 2 1 254.805 3.113 20 0 CGADMP CC[N@@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000414708924 380383199 /nfs/dbraw/zinc/38/31/99/380383199.db2.gz DHYFZXHGDUYJNT-HNNXBMFYSA-N 2 1 284.806 3.443 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000414771746 380396988 /nfs/dbraw/zinc/39/69/88/380396988.db2.gz AJOCCYOJSJITPH-QZTJIDSGSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C(F)(F)F ZINC000414772299 380397029 /nfs/dbraw/zinc/39/70/29/380397029.db2.gz QUWXOJJQKZYIFZ-KGLIPLIRSA-N 2 1 298.352 3.055 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414745400 380390932 /nfs/dbraw/zinc/39/09/32/380390932.db2.gz XNNKPPGCMXVIOU-RCCFBDPRSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526099 380340983 /nfs/dbraw/zinc/34/09/83/380340983.db2.gz PDUZYDMVSNLZSF-UONOGXRCSA-N 2 1 264.413 3.109 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000643526684 380342310 /nfs/dbraw/zinc/34/23/10/380342310.db2.gz DRZWMJMQJSCSRL-CXAGYDPISA-N 2 1 272.367 3.046 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(-c2ccccc2)c1 ZINC000643528402 380345387 /nfs/dbraw/zinc/34/53/87/380345387.db2.gz IUYNQGJQRVRQSJ-UONOGXRCSA-N 2 1 254.377 3.351 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000414759902 380395044 /nfs/dbraw/zinc/39/50/44/380395044.db2.gz FXVJKGPBUDWGOI-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000414768493 380397348 /nfs/dbraw/zinc/39/73/48/380397348.db2.gz VAPPQUXJLDEGAI-QYZOEREBSA-N 2 1 284.447 3.182 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000354180935 380356862 /nfs/dbraw/zinc/35/68/62/380356862.db2.gz KDXVDQKYODIJEW-DOTOQJQBSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000354180935 380356872 /nfs/dbraw/zinc/35/68/72/380356872.db2.gz KDXVDQKYODIJEW-DOTOQJQBSA-N 2 1 289.467 3.033 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000643543545 380357898 /nfs/dbraw/zinc/35/78/98/380357898.db2.gz ZKEFYHLKPBUJNG-UKRRQHHQSA-N 2 1 266.454 3.176 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000414663075 380358792 /nfs/dbraw/zinc/35/87/92/380358792.db2.gz AQUCTLICEVOKOG-GZBFAFLISA-N 2 1 298.352 3.183 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000643546582 380359244 /nfs/dbraw/zinc/35/92/44/380359244.db2.gz RIRUMVXLXOGLBM-DGCLKSJQSA-N 2 1 280.362 3.290 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)cc(F)c1 ZINC000643546407 380359377 /nfs/dbraw/zinc/35/93/77/380359377.db2.gz OKWVUYITTQSPMR-NHYWBVRUSA-N 2 1 280.362 3.290 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000643546584 380359685 /nfs/dbraw/zinc/35/96/85/380359685.db2.gz RIRUMVXLXOGLBM-YPMHNXCESA-N 2 1 280.362 3.290 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414666739 380360078 /nfs/dbraw/zinc/36/00/78/380360078.db2.gz GVKGMGMFLSHBMH-PBHICJAKSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000414670326 380362060 /nfs/dbraw/zinc/36/20/60/380362060.db2.gz MCFUAQRVRCVIOH-DLBZAZTESA-N 2 1 275.440 3.372 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000414670326 380362063 /nfs/dbraw/zinc/36/20/63/380362063.db2.gz MCFUAQRVRCVIOH-DLBZAZTESA-N 2 1 275.440 3.372 20 0 CGADMP CC[N@H+](Cc1ccccc1C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414670669 380362409 /nfs/dbraw/zinc/36/24/09/380362409.db2.gz DPHUPSRNPIOKSQ-CVEARBPZSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414669945 380362479 /nfs/dbraw/zinc/36/24/79/380362479.db2.gz CGKVSYYXLCVORR-CPUCHLNUSA-N 2 1 276.399 3.351 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1Oc1cccnc1 ZINC000414811804 380423935 /nfs/dbraw/zinc/42/39/35/380423935.db2.gz WOUCLEMWPKAATN-QGZVFWFLSA-N 2 1 297.402 3.009 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Cl)cc1C ZINC000414812838 380423998 /nfs/dbraw/zinc/42/39/98/380423998.db2.gz SAZAFDKXZPIXRN-UHFFFAOYSA-N 2 1 254.805 3.256 20 0 CGADMP COc1ccc(C2CCC([NH2+][C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000414813801 380425963 /nfs/dbraw/zinc/42/59/63/380425963.db2.gz RAQXGHGXMDWHKA-AUCFXJAVSA-N 2 1 288.435 3.048 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1F ZINC000414818834 380429919 /nfs/dbraw/zinc/42/99/19/380429919.db2.gz WUNZKFLXLBRBPY-DZGCQCFKSA-N 2 1 266.404 3.254 20 0 CGADMP C[C@@H](C[NH2+]Cc1c(Cl)ccc2cccnc21)C[NH+](C)C ZINC000644411918 380433464 /nfs/dbraw/zinc/43/34/64/380433464.db2.gz KXZVQSFLQHSBFU-LBPRGKRZSA-N 2 1 291.826 3.176 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccsc1 ZINC000414830733 380440737 /nfs/dbraw/zinc/44/07/37/380440737.db2.gz BMFITXCTNQZRDL-OCCSQVGLSA-N 2 1 254.443 3.032 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(C3CC3)cc2)CCCCC1 ZINC000414839793 380446403 /nfs/dbraw/zinc/44/64/03/380446403.db2.gz JMVACUUIRKTHLW-UHFFFAOYSA-N 2 1 258.409 3.315 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000414847466 380451646 /nfs/dbraw/zinc/45/16/46/380451646.db2.gz VVZRSWOQLDOWGT-SNVBAGLBSA-N 2 1 266.772 3.031 20 0 CGADMP Clc1sccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782786 380402218 /nfs/dbraw/zinc/40/22/18/380402218.db2.gz OVPPUXPVKBYXTH-NWDGAFQWSA-N 2 1 284.856 3.223 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCCC2)CC12CCOCC2 ZINC000414782249 380403150 /nfs/dbraw/zinc/40/31/50/380403150.db2.gz OCMUGUBRTISDGU-QGZVFWFLSA-N 2 1 294.483 3.034 20 0 CGADMP C[N@H+](Cc1cccc(-c2cccnc2)c1)C1(C[NH3+])CCC1 ZINC000414784593 380403425 /nfs/dbraw/zinc/40/34/25/380403425.db2.gz INFKHCHBLAGPDY-UHFFFAOYSA-N 2 1 281.403 3.062 20 0 CGADMP C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1(C[NH3+])CCC1 ZINC000414784593 380403428 /nfs/dbraw/zinc/40/34/28/380403428.db2.gz INFKHCHBLAGPDY-UHFFFAOYSA-N 2 1 281.403 3.062 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCCC2)CC12CCOCC2 ZINC000414782248 380403605 /nfs/dbraw/zinc/40/36/05/380403605.db2.gz OCMUGUBRTISDGU-KRWDZBQOSA-N 2 1 294.483 3.034 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414853186 380456176 /nfs/dbraw/zinc/45/61/76/380456176.db2.gz SDHOXUWHWZNGNN-RCCFBDPRSA-N 2 1 274.452 3.361 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414801365 380414491 /nfs/dbraw/zinc/41/44/91/380414491.db2.gz ACHCSMATELORRA-UHFFFAOYSA-N 2 1 290.329 3.034 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414801809 380414653 /nfs/dbraw/zinc/41/46/53/380414653.db2.gz UVMPJBTWTZWFEW-LBPRGKRZSA-N 2 1 294.748 3.432 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000414806706 380420797 /nfs/dbraw/zinc/42/07/97/380420797.db2.gz QCZKRCJYGGXKBG-UHFFFAOYSA-N 2 1 274.330 3.313 20 0 CGADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)cc1 ZINC000414809740 380422737 /nfs/dbraw/zinc/42/27/37/380422737.db2.gz MYCASVWKOZVDGR-JTQLQIEISA-N 2 1 294.320 3.413 20 0 CGADMP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000414912494 380487194 /nfs/dbraw/zinc/48/71/94/380487194.db2.gz YGBRTBRUCRBMNX-LLVKDONJSA-N 2 1 290.304 3.076 20 0 CGADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000414926120 380491705 /nfs/dbraw/zinc/49/17/05/380491705.db2.gz JGTLQMKMPAQBRK-CYBMUJFWSA-N 2 1 272.417 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000414945784 380502810 /nfs/dbraw/zinc/50/28/10/380502810.db2.gz IVWLUPMSXHCCNK-TVQRCGJNSA-N 2 1 273.207 3.224 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)c1 ZINC000415053649 380507280 /nfs/dbraw/zinc/50/72/80/380507280.db2.gz OYLVLOSCFWNXGE-FUHWJXTLSA-N 2 1 272.436 3.267 20 0 CGADMP CC(C)C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414861460 380462057 /nfs/dbraw/zinc/46/20/57/380462057.db2.gz FPKXAAGCBAIFEO-IRXDYDNUSA-N 2 1 260.425 3.158 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414871749 380466552 /nfs/dbraw/zinc/46/65/52/380466552.db2.gz VLSSHGQHAWBYRH-DUVNUKRYSA-N 2 1 278.827 3.318 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000414875811 380470051 /nfs/dbraw/zinc/47/00/51/380470051.db2.gz JWEWHIXCIVMIPL-ZWKOTPCHSA-N 2 1 287.451 3.120 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414876242 380470466 /nfs/dbraw/zinc/47/04/66/380470466.db2.gz KHQOPBIUVVQNGL-WBVHZDCISA-N 2 1 275.440 3.120 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000354525445 380471303 /nfs/dbraw/zinc/47/13/03/380471303.db2.gz JODBNIIOKKITRZ-MRXNPFEDSA-N 2 1 258.409 3.445 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000268861662 190443460 /nfs/dbraw/zinc/44/34/60/190443460.db2.gz MRHQHLUHGRKLIX-SUMWQHHRSA-N 2 1 269.392 3.105 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C2CC2)[C@H](C)C1 ZINC000645503495 380693889 /nfs/dbraw/zinc/69/38/89/380693889.db2.gz MMKNNIKVSGKMKQ-UKRRQHHQSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000418065610 380698890 /nfs/dbraw/zinc/69/88/90/380698890.db2.gz KDNOSOUVKJZLKM-AABGKKOBSA-N 2 1 298.474 3.454 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000355665874 380743399 /nfs/dbraw/zinc/74/33/99/380743399.db2.gz CHBRJFVLBKHSDL-UHFFFAOYSA-N 2 1 297.358 3.367 20 0 CGADMP CC(C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355792405 380779397 /nfs/dbraw/zinc/77/93/97/380779397.db2.gz ZGYRIRZASNSMNE-GOSISDBHSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355792405 380779404 /nfs/dbraw/zinc/77/94/04/380779404.db2.gz ZGYRIRZASNSMNE-GOSISDBHSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355792405 380779409 /nfs/dbraw/zinc/77/94/09/380779409.db2.gz ZGYRIRZASNSMNE-GOSISDBHSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355792405 380779415 /nfs/dbraw/zinc/77/94/15/380779415.db2.gz ZGYRIRZASNSMNE-GOSISDBHSA-N 2 1 272.436 3.383 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421323636 380874260 /nfs/dbraw/zinc/87/42/60/380874260.db2.gz ITCNHUHAENRGDI-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420318322 380849104 /nfs/dbraw/zinc/84/91/04/380849104.db2.gz OMELWOCVKNZPGD-RDJZCZTQSA-N 2 1 258.409 3.132 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)C[C@@H]21 ZINC000420316069 380849283 /nfs/dbraw/zinc/84/92/83/380849283.db2.gz XQDQERPZMYAZPP-HWHUXHBOSA-N 2 1 290.838 3.387 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000420321810 380849401 /nfs/dbraw/zinc/84/94/01/380849401.db2.gz RWYBJOUYMUGBPO-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP CC[C@H](C)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000421393012 380940821 /nfs/dbraw/zinc/94/08/21/380940821.db2.gz YHIIAIHCEOKYEV-LBPRGKRZSA-N 2 1 281.469 3.045 20 0 CGADMP CC[C@H](C)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000421393012 380940837 /nfs/dbraw/zinc/94/08/37/380940837.db2.gz YHIIAIHCEOKYEV-LBPRGKRZSA-N 2 1 281.469 3.045 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359976200 381394264 /nfs/dbraw/zinc/39/42/64/381394264.db2.gz NEBXVRILXBACFD-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359976200 381394269 /nfs/dbraw/zinc/39/42/69/381394269.db2.gz NEBXVRILXBACFD-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)(C[NH2+]Cc1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000360168335 381465111 /nfs/dbraw/zinc/46/51/11/381465111.db2.gz KRFNJGFSXHBRFA-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000360275451 381503469 /nfs/dbraw/zinc/50/34/69/381503469.db2.gz RHWMKJQAECRZTE-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000334856764 207194080 /nfs/dbraw/zinc/19/40/80/207194080.db2.gz KSAQKBSAOYVFKA-GXFFZTMASA-N 2 1 278.783 3.174 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c2ccccc2n1 ZINC000227380746 542293444 /nfs/dbraw/zinc/29/34/44/542293444.db2.gz FTDYTSFVZCRKSW-SCLBCKFNSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c2ccccc2n1 ZINC000227380746 542293447 /nfs/dbraw/zinc/29/34/47/542293447.db2.gz FTDYTSFVZCRKSW-SCLBCKFNSA-N 2 1 283.419 3.102 20 0 CGADMP CC(C)[NH+](CC[NH2+]C1CCC2(CC2)CC1)C(C)C ZINC000362931726 382154667 /nfs/dbraw/zinc/15/46/67/382154667.db2.gz SJDGSBJNFPUZAA-UHFFFAOYSA-N 2 1 252.446 3.418 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363412952 382218443 /nfs/dbraw/zinc/21/84/43/382218443.db2.gz WMFYZXYKCQOQRY-CQSZACIVSA-N 2 1 285.366 3.048 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363412952 382218447 /nfs/dbraw/zinc/21/84/47/382218447.db2.gz WMFYZXYKCQOQRY-CQSZACIVSA-N 2 1 285.366 3.048 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364318177 382269240 /nfs/dbraw/zinc/26/92/40/382269240.db2.gz ZBFBZENPIBSRSZ-LUKYLMHMSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000366535198 382312256 /nfs/dbraw/zinc/31/22/56/382312256.db2.gz NHRHLALJTFYOMH-USXIJHARSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000366535198 382312262 /nfs/dbraw/zinc/31/22/62/382312262.db2.gz NHRHLALJTFYOMH-USXIJHARSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000366535198 382312266 /nfs/dbraw/zinc/31/22/66/382312266.db2.gz NHRHLALJTFYOMH-USXIJHARSA-N 2 1 262.441 3.006 20 0 CGADMP CC(C)SCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367275163 382341455 /nfs/dbraw/zinc/34/14/55/382341455.db2.gz RZBGOTAHYPRPAU-HOCLYGCPSA-N 2 1 282.497 3.077 20 0 CGADMP CC(C)SCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367275163 382341461 /nfs/dbraw/zinc/34/14/61/382341461.db2.gz RZBGOTAHYPRPAU-HOCLYGCPSA-N 2 1 282.497 3.077 20 0 CGADMP CC(C)SCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367275163 382341462 /nfs/dbraw/zinc/34/14/62/382341462.db2.gz RZBGOTAHYPRPAU-HOCLYGCPSA-N 2 1 282.497 3.077 20 0 CGADMP CC[C@@H]1C[N@@H+](CC[C@@H](C)c2ccccc2)CC[C@H]1[NH3+] ZINC000251637308 542347188 /nfs/dbraw/zinc/34/71/88/542347188.db2.gz FTSIQFUDINWYRH-BFYDXBDKSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2c(C)oc3ccccc32)CC[C@H]1[NH3+] ZINC000251749253 542347804 /nfs/dbraw/zinc/34/78/04/542347804.db2.gz LGZRFDDFMKETSM-CZUORRHYSA-N 2 1 272.392 3.300 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417027 542349950 /nfs/dbraw/zinc/34/99/50/542349950.db2.gz QBBHTQAUHHALNK-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP c1ccc(CCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252703238 542351159 /nfs/dbraw/zinc/35/11/59/542351159.db2.gz MBDZQJDRLZVXAV-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnccc2C)c1 ZINC000280950468 195042897 /nfs/dbraw/zinc/04/28/97/195042897.db2.gz ROBPQPAPZAZWBD-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP CC[N@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345204488 285100307 /nfs/dbraw/zinc/10/03/07/285100307.db2.gz NQTTWFVSKYVKBZ-CQSZACIVSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345204488 285100311 /nfs/dbraw/zinc/10/03/11/285100311.db2.gz NQTTWFVSKYVKBZ-CQSZACIVSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC=CCC2)C[C@H]1C ZINC000353752699 220306383 /nfs/dbraw/zinc/30/63/83/220306383.db2.gz UAMLVUGDYQBMEB-OAGGEKHMSA-N 2 1 250.430 3.147 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC=CCC2)C[C@H]1C ZINC000353752699 220306387 /nfs/dbraw/zinc/30/63/87/220306387.db2.gz UAMLVUGDYQBMEB-OAGGEKHMSA-N 2 1 250.430 3.147 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC=CCC2)C[C@H]1C ZINC000353752699 220306390 /nfs/dbraw/zinc/30/63/90/220306390.db2.gz UAMLVUGDYQBMEB-OAGGEKHMSA-N 2 1 250.430 3.147 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2sccc2C)C[C@@H]1C ZINC000353751940 220306845 /nfs/dbraw/zinc/30/68/45/220306845.db2.gz ZRBCHOVEZXUOKF-KBPBESRZSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2sccc2C)C[C@@H]1C ZINC000353751940 220306848 /nfs/dbraw/zinc/30/68/48/220306848.db2.gz ZRBCHOVEZXUOKF-KBPBESRZSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sccc2C)C[C@@H]1C ZINC000353751940 220306851 /nfs/dbraw/zinc/30/68/51/220306851.db2.gz ZRBCHOVEZXUOKF-KBPBESRZSA-N 2 1 266.454 3.361 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000353756030 220308684 /nfs/dbraw/zinc/30/86/84/220308684.db2.gz UVJVBFCOZUTQKC-VDHUWJSZSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000353756030 220308687 /nfs/dbraw/zinc/30/86/87/220308687.db2.gz UVJVBFCOZUTQKC-VDHUWJSZSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000353756030 220308692 /nfs/dbraw/zinc/30/86/92/220308692.db2.gz UVJVBFCOZUTQKC-VDHUWJSZSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000353756030 220308694 /nfs/dbraw/zinc/30/86/94/220308694.db2.gz UVJVBFCOZUTQKC-VDHUWJSZSA-N 2 1 272.436 3.205 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000289325373 197297969 /nfs/dbraw/zinc/29/79/69/197297969.db2.gz KJXAKXSTYPMABO-OAHLLOKOSA-N 2 1 298.496 3.129 20 0 CGADMP COC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423338938 533093242 /nfs/dbraw/zinc/09/32/42/533093242.db2.gz LFOCAPVVGODDDK-JKSUJKDBSA-N 2 1 296.842 3.007 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2cccnc12 ZINC000335400369 542468277 /nfs/dbraw/zinc/46/82/77/542468277.db2.gz NFCBFBJISGOPCV-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340181168 542490092 /nfs/dbraw/zinc/49/00/92/542490092.db2.gz MEXMMDRWHKWDIO-XKQJLSEDSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340181168 542490096 /nfs/dbraw/zinc/49/00/96/542490096.db2.gz MEXMMDRWHKWDIO-XKQJLSEDSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC000390836047 262350010 /nfs/dbraw/zinc/35/00/10/262350010.db2.gz JJCQDYDHRLPMNA-LMINUHAASA-N 2 1 264.457 3.416 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000179441582 260049173 /nfs/dbraw/zinc/04/91/73/260049173.db2.gz NDDQQNPBLXVSFE-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000281514681 195271919 /nfs/dbraw/zinc/27/19/19/195271919.db2.gz HJNNNGSDVDYCSI-ROUUACIJSA-N 2 1 299.462 3.268 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CCC2 ZINC000423507407 533300299 /nfs/dbraw/zinc/30/02/99/533300299.db2.gz INADSVZNAVUXFR-MSOLQXFVSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)c(F)c1 ZINC000096543581 533351613 /nfs/dbraw/zinc/35/16/13/533351613.db2.gz VZBLAPFAPZOIFR-LLVKDONJSA-N 2 1 270.367 3.203 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cnc2ccsc2c1 ZINC000423356889 533402307 /nfs/dbraw/zinc/40/23/07/533402307.db2.gz HLAIQEKOOIKDQJ-DGCLKSJQSA-N 2 1 275.421 3.089 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cncs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358475952 533508559 /nfs/dbraw/zinc/50/85/59/533508559.db2.gz XJQKQOOOCBOMGL-RDBSUJKOSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cncs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358475952 533508563 /nfs/dbraw/zinc/50/85/63/533508563.db2.gz XJQKQOOOCBOMGL-RDBSUJKOSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423020681 533550567 /nfs/dbraw/zinc/55/05/67/533550567.db2.gz COOIUQSLVLLFPT-UTJXIGIESA-N 2 1 258.409 3.040 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCSCc2ccccc2)C1 ZINC000190204800 130073834 /nfs/dbraw/zinc/07/38/34/130073834.db2.gz RSTVFGUVDGYKBI-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000190204800 130073837 /nfs/dbraw/zinc/07/38/37/130073837.db2.gz RSTVFGUVDGYKBI-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000190204800 130073840 /nfs/dbraw/zinc/07/38/40/130073840.db2.gz RSTVFGUVDGYKBI-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1 ZINC000191492676 130244517 /nfs/dbraw/zinc/24/45/17/130244517.db2.gz JSGVNAIBQZOKMC-UHFFFAOYSA-N 2 1 271.408 3.358 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1 ZINC000191492676 130244519 /nfs/dbraw/zinc/24/45/19/130244519.db2.gz JSGVNAIBQZOKMC-UHFFFAOYSA-N 2 1 271.408 3.358 20 0 CGADMP C[C@H]1CC[N@@H+](CCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414699002 542638131 /nfs/dbraw/zinc/63/81/31/542638131.db2.gz DROVBBDCEUNSSH-FZMZJTMJSA-N 2 1 286.341 3.437 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411308582 542630352 /nfs/dbraw/zinc/63/03/52/542630352.db2.gz OYXDNEXEELTOPA-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411308582 542630355 /nfs/dbraw/zinc/63/03/55/542630355.db2.gz OYXDNEXEELTOPA-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411308582 542630358 /nfs/dbraw/zinc/63/03/58/542630358.db2.gz OYXDNEXEELTOPA-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996614 391978633 /nfs/dbraw/zinc/97/86/33/391978633.db2.gz MGUYTXXAPVGMMA-BMGDILEWSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996614 391978639 /nfs/dbraw/zinc/97/86/39/391978639.db2.gz MGUYTXXAPVGMMA-BMGDILEWSA-N 2 1 288.435 3.363 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000066152365 392151952 /nfs/dbraw/zinc/15/19/52/392151952.db2.gz SYOMJMPPXLGRGI-INIZCTEOSA-N 2 1 290.451 3.297 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000066152365 392151957 /nfs/dbraw/zinc/15/19/57/392151957.db2.gz SYOMJMPPXLGRGI-INIZCTEOSA-N 2 1 290.451 3.297 20 0 CGADMP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763801 392317281 /nfs/dbraw/zinc/31/72/81/392317281.db2.gz GMTMVFWSUZRAPG-IPYPFGDCSA-N 2 1 293.430 3.025 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763801 392317285 /nfs/dbraw/zinc/31/72/85/392317285.db2.gz GMTMVFWSUZRAPG-IPYPFGDCSA-N 2 1 293.430 3.025 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763801 392317289 /nfs/dbraw/zinc/31/72/89/392317289.db2.gz GMTMVFWSUZRAPG-IPYPFGDCSA-N 2 1 293.430 3.025 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000361766501 392318720 /nfs/dbraw/zinc/31/87/20/392318720.db2.gz SZQZXNWUDLMIPU-KNCOVGOOSA-N 2 1 296.480 3.144 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361766501 392318724 /nfs/dbraw/zinc/31/87/24/392318724.db2.gz SZQZXNWUDLMIPU-KNCOVGOOSA-N 2 1 296.480 3.144 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000245628692 131088058 /nfs/dbraw/zinc/08/80/58/131088058.db2.gz PMJDHARPNLZKLB-GOEBONIOSA-N 2 1 276.424 3.172 20 0 CGADMP Clc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250264985 131125387 /nfs/dbraw/zinc/12/53/87/131125387.db2.gz WNBXRQNCZRJPBD-CVEARBPZSA-N 2 1 278.827 3.099 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000286087442 392374481 /nfs/dbraw/zinc/37/44/81/392374481.db2.gz LXFAXXHFYSJTCD-CVEARBPZSA-N 2 1 275.440 3.305 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113655617 392383408 /nfs/dbraw/zinc/38/34/08/392383408.db2.gz NYBXWLDGYHALNW-DGCLKSJQSA-N 2 1 286.341 3.265 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453108448 542679559 /nfs/dbraw/zinc/67/95/59/542679559.db2.gz NUCCNLXLRZZUMN-HZPDHXFCSA-N 2 1 277.456 3.113 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000289150849 392415366 /nfs/dbraw/zinc/41/53/66/392415366.db2.gz GHEBPRFUTOBOMA-QWQRMKEZSA-N 2 1 270.420 3.309 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000130046004 392453750 /nfs/dbraw/zinc/45/37/50/392453750.db2.gz KMZCZQHIGXKCSB-FZMZJTMJSA-N 2 1 286.341 3.135 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130560210 392455995 /nfs/dbraw/zinc/45/59/95/392455995.db2.gz KJSXBCAFCRXKFJ-HLLBOEOZSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130560210 392455999 /nfs/dbraw/zinc/45/59/99/392455999.db2.gz KJSXBCAFCRXKFJ-HLLBOEOZSA-N 2 1 260.425 3.437 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000166373701 392608384 /nfs/dbraw/zinc/60/83/84/392608384.db2.gz IARJLIPSYANWSW-QGTPRVQTSA-N 2 1 292.442 3.465 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000166373701 392608391 /nfs/dbraw/zinc/60/83/91/392608391.db2.gz IARJLIPSYANWSW-QGTPRVQTSA-N 2 1 292.442 3.465 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000372528522 392618661 /nfs/dbraw/zinc/61/86/61/392618661.db2.gz BQTNPTZDPMTPQR-FHLIZLRMSA-N 2 1 283.419 3.363 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157673910 392550474 /nfs/dbraw/zinc/55/04/74/392550474.db2.gz DUZMEQFDWVPRQW-RYUDHWBXSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CCC2)C2CCCC2)CC[N@@H+]1C ZINC000647330362 392674794 /nfs/dbraw/zinc/67/47/94/392674794.db2.gz HRNWBMJUSTVNSV-XOKHGSTOSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CCC2)C2CCCC2)CC[N@H+]1C ZINC000647330362 392674802 /nfs/dbraw/zinc/67/48/02/392674802.db2.gz HRNWBMJUSTVNSV-XOKHGSTOSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344689 392694762 /nfs/dbraw/zinc/69/47/62/392694762.db2.gz XFZRRWWLMFHZGZ-LZQZEXGQSA-N 2 1 298.430 3.146 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000647283155 392634692 /nfs/dbraw/zinc/63/46/92/392634692.db2.gz NJTHKFVCCNKNTN-KSZLIROESA-N 2 1 287.451 3.385 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479669 392734649 /nfs/dbraw/zinc/73/46/49/392734649.db2.gz PCCXVVPGZIGKLL-BHIYHBOVSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H](CC[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482580 392737973 /nfs/dbraw/zinc/73/79/73/392737973.db2.gz QULCDBWSEQJGOO-HNNXBMFYSA-N 2 1 272.436 3.397 20 0 CGADMP COCC[C@@H]1CCCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000375106172 392738702 /nfs/dbraw/zinc/73/87/02/392738702.db2.gz SJQIUTJKTVVABN-KRWDZBQOSA-N 2 1 293.455 3.110 20 0 CGADMP COCC[C@@H]1CCCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000375106172 392738703 /nfs/dbraw/zinc/73/87/03/392738703.db2.gz SJQIUTJKTVVABN-KRWDZBQOSA-N 2 1 293.455 3.110 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000647490705 392739333 /nfs/dbraw/zinc/73/93/33/392739333.db2.gz KSUUTFBIEGKAMH-GFCCVEGCSA-N 2 1 290.794 3.381 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1[NH3+] ZINC000647497414 392740456 /nfs/dbraw/zinc/74/04/56/392740456.db2.gz GTMQNZCGVAHNLT-SJLPKXTDSA-N 2 1 288.435 3.035 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3cc(OC)ccc3o2)CC[C@@H]1[NH3+] ZINC000647497358 392740494 /nfs/dbraw/zinc/74/04/94/392740494.db2.gz DNWFLVXDVIBGTR-WBMJQRKESA-N 2 1 288.391 3.001 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(C)c3ncccc3c2)CC[C@@H]1[NH3+] ZINC000647497309 392740793 /nfs/dbraw/zinc/74/07/93/392740793.db2.gz CKKFORRXLYIRHP-RDJZCZTQSA-N 2 1 283.419 3.102 20 0 CGADMP CC[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000647498460 392742457 /nfs/dbraw/zinc/74/24/57/392742457.db2.gz HSUGFXSZWYBZTD-GOEBONIOSA-N 2 1 260.425 3.023 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000647531234 392752457 /nfs/dbraw/zinc/75/24/57/392752457.db2.gz IOSCHDVSELKUAL-UHFFFAOYSA-N 2 1 288.366 3.399 20 0 CGADMP CC(C)CCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647531558 392753472 /nfs/dbraw/zinc/75/34/72/392753472.db2.gz FGRBVMUCKZVPJW-UHFFFAOYSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543242 392761104 /nfs/dbraw/zinc/76/11/04/392761104.db2.gz JXWKBLRGUXWVKK-NVXWUHKLSA-N 2 1 290.426 3.346 20 0 CGADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2csc3ccccc23)C1 ZINC000647550170 392763886 /nfs/dbraw/zinc/76/38/86/392763886.db2.gz DHJIVYYVUZAQKD-JSGCOSHPSA-N 2 1 274.433 3.031 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936893 392838079 /nfs/dbraw/zinc/83/80/79/392838079.db2.gz MXKUIWSIRWNHBH-CJNGLKHVSA-N 2 1 296.842 3.168 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000509964861 392777882 /nfs/dbraw/zinc/77/78/82/392777882.db2.gz XZTGJKSRCGDEJG-HOTGVXAUSA-N 2 1 263.429 3.386 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCSC2CCCCC2)CC1 ZINC000375693336 392805531 /nfs/dbraw/zinc/80/55/31/392805531.db2.gz PMMCEXLLUOBSPE-HNNXBMFYSA-N 2 1 284.513 3.468 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510654377 392806230 /nfs/dbraw/zinc/80/62/30/392806230.db2.gz XIAXEIOMOSKOME-KBPBESRZSA-N 2 1 296.405 3.217 20 0 CGADMP C([C@H]1CCSC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000375749185 392814519 /nfs/dbraw/zinc/81/45/19/392814519.db2.gz MXXGDJKSAYKQGC-IAGOWNOFSA-N 2 1 296.524 3.328 20 0 CGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)CCc1ccccc1 ZINC000647880929 392823296 /nfs/dbraw/zinc/82/32/96/392823296.db2.gz GNFLMKFTDQQARO-UHFFFAOYSA-N 2 1 274.452 3.331 20 0 CGADMP c1ccc([C@H]2c3ccccc3CC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647884595 392824237 /nfs/dbraw/zinc/82/42/37/392824237.db2.gz LZBAOFDQXFIDBU-JXFKEZNVSA-N 2 1 292.426 3.244 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903022 392829319 /nfs/dbraw/zinc/82/93/19/392829319.db2.gz DYEVWNVBQAUQKY-QZTJIDSGSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000647934572 392835733 /nfs/dbraw/zinc/83/57/33/392835733.db2.gz JHYCIYDEICMTLU-CSMYWGQOSA-N 2 1 276.399 3.262 20 0 CGADMP C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCCn2ccnc2)C1 ZINC000376021326 392853135 /nfs/dbraw/zinc/85/31/35/392853135.db2.gz LAUZNCNKPOXNMJ-QGZVFWFLSA-N 2 1 287.382 3.076 20 0 CGADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCCc3occc32)CCCC1 ZINC000193287553 392874679 /nfs/dbraw/zinc/87/46/79/392874679.db2.gz YKCFSVVXCUUXPP-OAHLLOKOSA-N 2 1 276.424 3.369 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCc1cncn1C ZINC000519648939 392876918 /nfs/dbraw/zinc/87/69/18/392876918.db2.gz RYFHNANTUJOFTJ-HOCLYGCPSA-N 2 1 263.429 3.253 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCc1c[nH+]cn1C ZINC000519648939 392876924 /nfs/dbraw/zinc/87/69/24/392876924.db2.gz RYFHNANTUJOFTJ-HOCLYGCPSA-N 2 1 263.429 3.253 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCc1c[nH+]cn1C ZINC000519648939 392876930 /nfs/dbraw/zinc/87/69/30/392876930.db2.gz RYFHNANTUJOFTJ-HOCLYGCPSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1F ZINC000340472230 392973230 /nfs/dbraw/zinc/97/32/30/392973230.db2.gz HIOWMZWIKLFJRO-GJZGRUSLSA-N 2 1 293.430 3.383 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340471426 392973600 /nfs/dbraw/zinc/97/36/00/392973600.db2.gz WONXSWICQPDXIV-CWRNSKLLSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340471426 392973604 /nfs/dbraw/zinc/97/36/04/392973604.db2.gz WONXSWICQPDXIV-CWRNSKLLSA-N 2 1 264.388 3.160 20 0 CGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178705 392965271 /nfs/dbraw/zinc/96/52/71/392965271.db2.gz QSPQUSNVCMLTNC-QZTJIDSGSA-N 2 1 290.451 3.227 20 0 CGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178705 392965279 /nfs/dbraw/zinc/96/52/79/392965279.db2.gz QSPQUSNVCMLTNC-QZTJIDSGSA-N 2 1 290.451 3.227 20 0 CGADMP CC(C)O[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1(C)C ZINC000462816018 392968380 /nfs/dbraw/zinc/96/83/80/392968380.db2.gz ZPGIFAFRKOULAX-GJZGRUSLSA-N 2 1 282.472 3.043 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340258793 392968468 /nfs/dbraw/zinc/96/84/68/392968468.db2.gz UWZJMWIQUUVADK-FGTMMUONSA-N 2 1 290.451 3.083 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340258793 392968477 /nfs/dbraw/zinc/96/84/77/392968477.db2.gz UWZJMWIQUUVADK-FGTMMUONSA-N 2 1 290.451 3.083 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)C[C@H]1c1ccccc1 ZINC000340258547 392968625 /nfs/dbraw/zinc/96/86/25/392968625.db2.gz WFMPODYNZAIREF-BBWFWOEESA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)C[C@H]1c1ccccc1 ZINC000340258547 392968627 /nfs/dbraw/zinc/96/86/27/392968627.db2.gz WFMPODYNZAIREF-BBWFWOEESA-N 2 1 290.476 3.307 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOC(F)F)C[C@H]1c1ccccc1 ZINC000340385603 392971441 /nfs/dbraw/zinc/97/14/41/392971441.db2.gz XCYLGDMRDTZUJA-CABCVRRESA-N 2 1 298.377 3.041 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOC(F)F)C[C@H]1c1ccccc1 ZINC000340385603 392971445 /nfs/dbraw/zinc/97/14/45/392971445.db2.gz XCYLGDMRDTZUJA-CABCVRRESA-N 2 1 298.377 3.041 20 0 CGADMP CCOc1ccc(C[N@H+](C)CCC[NH+](CC)CC)cc1 ZINC000340601022 392976911 /nfs/dbraw/zinc/97/69/11/392976911.db2.gz RDNLUSKHUAYQBV-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCC[NH+](CC)CC)cc1 ZINC000340601022 392976920 /nfs/dbraw/zinc/97/69/20/392976920.db2.gz RDNLUSKHUAYQBV-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000235744275 393028882 /nfs/dbraw/zinc/02/88/82/393028882.db2.gz PFCKTBKVEHZPOW-UKRRQHHQSA-N 2 1 262.441 3.195 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000415016162 393098733 /nfs/dbraw/zinc/09/87/33/393098733.db2.gz ZXLXQIUOHZEEQM-MNOVXSKESA-N 2 1 278.396 3.380 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC000414743834 393054681 /nfs/dbraw/zinc/05/46/81/393054681.db2.gz PFPABLDNAZMDJO-HUUCEWRRSA-N 2 1 272.436 3.168 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414981178 393077603 /nfs/dbraw/zinc/07/76/03/393077603.db2.gz QMTFUCALDDXBKN-GFCCVEGCSA-N 2 1 278.396 3.381 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648585351 393114623 /nfs/dbraw/zinc/11/46/23/393114623.db2.gz BBBWITRTGKWUSV-LPHOPBHVSA-N 2 1 286.463 3.254 20 0 CGADMP FC(F)(F)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250851007 393115218 /nfs/dbraw/zinc/11/52/18/393115218.db2.gz OFRLVPYSIXWXOK-NWINJMCUSA-N 2 1 290.373 3.324 20 0 CGADMP FC(F)(F)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250851007 393115223 /nfs/dbraw/zinc/11/52/23/393115223.db2.gz OFRLVPYSIXWXOK-NWINJMCUSA-N 2 1 290.373 3.324 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000415054407 393116826 /nfs/dbraw/zinc/11/68/26/393116826.db2.gz PVLYVDGSUHEQTN-ZYSHUDEJSA-N 2 1 280.415 3.135 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415055100 393117621 /nfs/dbraw/zinc/11/76/21/393117621.db2.gz QYFQSRMDKATRJJ-LWYYNNOASA-N 2 1 292.426 3.135 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415067395 393126343 /nfs/dbraw/zinc/12/63/43/393126343.db2.gz PBFNCAMUALWCOA-YJBOKZPZSA-N 2 1 274.452 3.423 20 0 CGADMP c1nc(C2CCCC2)sc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415070277 393127978 /nfs/dbraw/zinc/12/79/78/393127978.db2.gz QKGFDZANSKUBPI-UHFFFAOYSA-N 2 1 279.453 3.032 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000415082086 393136714 /nfs/dbraw/zinc/13/67/14/393136714.db2.gz LGEVOMQBDCAHJI-NHYWBVRUSA-N 2 1 266.816 3.290 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(C(F)(F)F)c(C)c1 ZINC000415117969 393149191 /nfs/dbraw/zinc/14/91/91/393149191.db2.gz CSPALRYHQBIAOF-UHFFFAOYSA-N 2 1 274.330 3.055 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(F)(F)F)c(C)c1 ZINC000415117969 393149196 /nfs/dbraw/zinc/14/91/96/393149196.db2.gz CSPALRYHQBIAOF-UHFFFAOYSA-N 2 1 274.330 3.055 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000415115305 393149641 /nfs/dbraw/zinc/14/96/41/393149641.db2.gz DNCREPKTUANTIX-BXUZGUMPSA-N 2 1 254.805 3.364 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415123226 393150386 /nfs/dbraw/zinc/15/03/86/393150386.db2.gz JFZITDIORJSUBL-UONOGXRCSA-N 2 1 286.419 3.412 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468555685 393153391 /nfs/dbraw/zinc/15/33/91/393153391.db2.gz SPDCOXDLAIHHMP-IJEWVQPXSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468555685 393153399 /nfs/dbraw/zinc/15/33/99/393153399.db2.gz SPDCOXDLAIHHMP-IJEWVQPXSA-N 2 1 278.415 3.219 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415138765 393155397 /nfs/dbraw/zinc/15/53/97/393155397.db2.gz ZCVHZQXCSZJLCC-ZFWWWQNUSA-N 2 1 278.465 3.215 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648639362 393156413 /nfs/dbraw/zinc/15/64/13/393156413.db2.gz KWCSWDFFOBKKKH-HZMVEIRTSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C[C@H]1C[NH3+] ZINC000415133183 393156459 /nfs/dbraw/zinc/15/64/59/393156459.db2.gz UXWYOMJHLPUABY-HNAYVOBHSA-N 2 1 295.430 3.165 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@@H](C)C1 ZINC000470256906 393235506 /nfs/dbraw/zinc/23/55/06/393235506.db2.gz INAQTIPNIUTHNM-RDJZCZTQSA-N 2 1 290.451 3.164 20 0 CGADMP CC1CCC(C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355412056 393311763 /nfs/dbraw/zinc/31/17/63/393311763.db2.gz APWQVXXLLCVQNZ-VUROTCPHSA-N 2 1 264.457 3.419 20 0 CGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000648816824 393261365 /nfs/dbraw/zinc/26/13/65/393261365.db2.gz KYSYGFIFKJNPJB-ZIAGYGMSSA-N 2 1 294.826 3.065 20 0 CGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000648816824 393261369 /nfs/dbraw/zinc/26/13/69/393261369.db2.gz KYSYGFIFKJNPJB-ZIAGYGMSSA-N 2 1 294.826 3.065 20 0 CGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471000136 393270778 /nfs/dbraw/zinc/27/07/78/393270778.db2.gz YMCBWPPAFVFTAO-CALCHBBNSA-N 2 1 298.455 3.312 20 0 CGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471000136 393270788 /nfs/dbraw/zinc/27/07/88/393270788.db2.gz YMCBWPPAFVFTAO-CALCHBBNSA-N 2 1 298.455 3.312 20 0 CGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471000136 393270793 /nfs/dbraw/zinc/27/07/93/393270793.db2.gz YMCBWPPAFVFTAO-CALCHBBNSA-N 2 1 298.455 3.312 20 0 CGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471000136 393270799 /nfs/dbraw/zinc/27/07/99/393270799.db2.gz YMCBWPPAFVFTAO-CALCHBBNSA-N 2 1 298.455 3.312 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000475334509 393393174 /nfs/dbraw/zinc/39/31/74/393393174.db2.gz LDSVHMNJDHWBKC-WBMJQRKESA-N 2 1 280.843 3.127 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000475338969 393394729 /nfs/dbraw/zinc/39/47/29/393394729.db2.gz TYOSDFWOCXHSNP-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000356174494 393367454 /nfs/dbraw/zinc/36/74/54/393367454.db2.gz IYXBDUKZQCKJAE-UHFFFAOYSA-N 2 1 285.435 3.321 20 0 CGADMP C[N@H+](CC[NH2+]C1CCC(F)(F)CC1)C1CCCC1 ZINC000647180534 393373090 /nfs/dbraw/zinc/37/30/90/393373090.db2.gz GELGPSIFYBOTID-UHFFFAOYSA-N 2 1 260.372 3.028 20 0 CGADMP C[N@@H+](CC[NH2+]C1CCC(F)(F)CC1)C1CCCC1 ZINC000647180534 393373092 /nfs/dbraw/zinc/37/30/92/393373092.db2.gz GELGPSIFYBOTID-UHFFFAOYSA-N 2 1 260.372 3.028 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420383613 393480772 /nfs/dbraw/zinc/48/07/72/393480772.db2.gz DLAOGNCEQWPQGA-WMZOPIPTSA-N 2 1 272.436 3.213 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000478009395 393431194 /nfs/dbraw/zinc/43/11/94/393431194.db2.gz IPRDLJNJPSEVJP-FGTMMUONSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000478009395 393431196 /nfs/dbraw/zinc/43/11/96/393431196.db2.gz IPRDLJNJPSEVJP-FGTMMUONSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000478009395 393431199 /nfs/dbraw/zinc/43/11/99/393431199.db2.gz IPRDLJNJPSEVJP-FGTMMUONSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000478009395 393431201 /nfs/dbraw/zinc/43/12/01/393431201.db2.gz IPRDLJNJPSEVJP-FGTMMUONSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000477858367 393431266 /nfs/dbraw/zinc/43/12/66/393431266.db2.gz KNZHLRNYLODQED-VQHPVUNQSA-N 2 1 294.483 3.187 20 0 CGADMP CCCC[C@H](COC)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000479900760 393434456 /nfs/dbraw/zinc/43/44/56/393434456.db2.gz KXVVWERHAKJBID-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP C[N@@H+](CC(C)(C)C[NH3+])[C@H]1CCc2c1cccc2Cl ZINC000420292762 393451531 /nfs/dbraw/zinc/45/15/31/393451531.db2.gz PYBJVRVZGGVRQR-AWEZNQCLSA-N 2 1 266.816 3.244 20 0 CGADMP CSc1ccccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420293669 393452049 /nfs/dbraw/zinc/45/20/49/393452049.db2.gz ROMKSIVEGMRHPL-CQSZACIVSA-N 2 1 266.454 3.214 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1csc2ccccc12 ZINC000420297744 393453059 /nfs/dbraw/zinc/45/30/59/393453059.db2.gz DKBYGHJBJGGVNL-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420300470 393455614 /nfs/dbraw/zinc/45/56/14/393455614.db2.gz HNHMEAGZMGNNPC-KRWDZBQOSA-N 2 1 290.451 3.085 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2C(C)C)cc1 ZINC000420300756 393455803 /nfs/dbraw/zinc/45/58/03/393455803.db2.gz KLJKDGGGYHKLRN-SJLPKXTDSA-N 2 1 290.451 3.248 20 0 CGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000420300144 393455899 /nfs/dbraw/zinc/45/58/99/393455899.db2.gz HIUHJBGQTWDWGC-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420311409 393459011 /nfs/dbraw/zinc/45/90/11/393459011.db2.gz VUSGYPFVHKXZCB-PKOBYXMFSA-N 2 1 286.463 3.392 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420323457 393466477 /nfs/dbraw/zinc/46/64/77/393466477.db2.gz UIQNJVDETCIARR-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420324408 393468870 /nfs/dbraw/zinc/46/88/70/393468870.db2.gz VGMWVEHKTKFGPL-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP Clc1ccc(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420347879 393471612 /nfs/dbraw/zinc/47/16/12/393471612.db2.gz ZRKSUSQTXXZELC-IYBDPMFKSA-N 2 1 292.854 3.204 20 0 CGADMP c1ccc2cc(CC[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2c1 ZINC000420345586 393472763 /nfs/dbraw/zinc/47/27/63/393472763.db2.gz VWJWGPXRRDHDLM-BGYRXZFFSA-N 2 1 294.442 3.314 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1C ZINC000420356832 393473175 /nfs/dbraw/zinc/47/31/75/393473175.db2.gz GSECKIDINHSXSH-INIZCTEOSA-N 2 1 278.440 3.035 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420359815 393474371 /nfs/dbraw/zinc/47/43/71/393474371.db2.gz KVRNGFQTQBDRLN-WMZOPIPTSA-N 2 1 272.436 3.440 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)c(Cl)c1 ZINC000420371186 393476646 /nfs/dbraw/zinc/47/66/46/393476646.db2.gz ZWQLBBFGOXXLEL-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CSc1ccccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429542256 393477410 /nfs/dbraw/zinc/47/74/10/393477410.db2.gz RFWIIZLKVRESDR-OAHLLOKOSA-N 2 1 278.465 3.325 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429542256 393477413 /nfs/dbraw/zinc/47/74/13/393477413.db2.gz RFWIIZLKVRESDR-OAHLLOKOSA-N 2 1 278.465 3.325 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]C[C@@H]2CC=CCC2)[C@H](c2ccccc2)C1 ZINC000647248510 393410923 /nfs/dbraw/zinc/41/09/23/393410923.db2.gz DSDPGZAIVGUWOJ-QRQLOZEOSA-N 2 1 284.447 3.278 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248956 393411799 /nfs/dbraw/zinc/41/17/99/393411799.db2.gz SRZKYTBEHYUZHI-DDBAPUKQSA-N 2 1 272.436 3.110 20 0 CGADMP c1cc(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420404363 393484700 /nfs/dbraw/zinc/48/47/00/393484700.db2.gz RYIYLGVYYWXFPK-HZPDHXFCSA-N 2 1 278.465 3.145 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2C[C@@H]2C)CC1)CC1CC1 ZINC000488332612 393489356 /nfs/dbraw/zinc/48/93/56/393489356.db2.gz LYEQUJKHWZWFBZ-MAUKXSAKSA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439988 393514725 /nfs/dbraw/zinc/51/47/25/393514725.db2.gz ABRZKCQCVOPNRY-YYIAUSFCSA-N 2 1 298.540 3.474 20 0 CGADMP NC[C@@H]1CCC[N@H+]1CCCc1cccc2ccccc21 ZINC000430555669 393575084 /nfs/dbraw/zinc/57/50/84/393575084.db2.gz SQTGJOJDDQMUAT-KRWDZBQOSA-N 2 1 268.404 3.196 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCc1cccc2ccccc21 ZINC000430555669 393575095 /nfs/dbraw/zinc/57/50/95/393575095.db2.gz SQTGJOJDDQMUAT-KRWDZBQOSA-N 2 1 268.404 3.196 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000430567409 393576694 /nfs/dbraw/zinc/57/66/94/393576694.db2.gz FQLTVFIBYNIPKA-CVEARBPZSA-N 2 1 264.388 3.118 20 0 CGADMP C[N@@H+](CCCOc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000430616446 393582937 /nfs/dbraw/zinc/58/29/37/393582937.db2.gz FIICXFREMUKLQS-UHFFFAOYSA-N 2 1 298.430 3.293 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC2CCC1CC2 ZINC000433058421 393678775 /nfs/dbraw/zinc/67/87/75/393678775.db2.gz AYNVCIZYFNUYIQ-GPANFISMSA-N 2 1 261.413 3.140 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419930 393611922 /nfs/dbraw/zinc/61/19/22/393611922.db2.gz HHFUMLRGIOEXAW-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419930 393611925 /nfs/dbraw/zinc/61/19/25/393611925.db2.gz HHFUMLRGIOEXAW-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccc(F)cc32)CCCCC1 ZINC000423174659 393653789 /nfs/dbraw/zinc/65/37/89/393653789.db2.gz BRHPNYNPUXOXLH-HNNXBMFYSA-N 2 1 262.372 3.064 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423278017 393659393 /nfs/dbraw/zinc/65/93/93/393659393.db2.gz QJBSEIQZLSPCJP-KBPBESRZSA-N 2 1 297.240 3.009 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423318329 393661571 /nfs/dbraw/zinc/66/15/71/393661571.db2.gz KVRZWMBZIVWVSU-IAGOWNOFSA-N 2 1 288.435 3.351 20 0 CGADMP CCC[C@H](CC)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423344718 393662299 /nfs/dbraw/zinc/66/22/99/393662299.db2.gz XCMPTMNFCRJUHT-JQHSSLGASA-N 2 1 290.451 3.309 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000423391381 393665147 /nfs/dbraw/zinc/66/51/47/393665147.db2.gz PGTPAWULJZZZHF-UONOGXRCSA-N 2 1 250.430 3.077 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423454947 393667796 /nfs/dbraw/zinc/66/77/96/393667796.db2.gz ZRWUNHKSWCEENS-BHDSKKPTSA-N 2 1 252.789 3.116 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000423476517 393669839 /nfs/dbraw/zinc/66/98/39/393669839.db2.gz SOGPYDWUIBUDIE-STQMWFEESA-N 2 1 297.240 3.072 20 0 CGADMP CC[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H](C)C1 ZINC000361181993 393695721 /nfs/dbraw/zinc/69/57/21/393695721.db2.gz UMVRVAYOBNMEPP-BBRMVZONSA-N 2 1 273.424 3.103 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@@H](C)C1 ZINC000361181993 393695728 /nfs/dbraw/zinc/69/57/28/393695728.db2.gz UMVRVAYOBNMEPP-BBRMVZONSA-N 2 1 273.424 3.103 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000361230945 393706903 /nfs/dbraw/zinc/70/69/03/393706903.db2.gz RNOZYKDIIXQDMF-WMLDXEAASA-N 2 1 285.435 3.030 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000435380033 393714791 /nfs/dbraw/zinc/71/47/91/393714791.db2.gz PEYWFJNPKANZRP-WMLDXEAASA-N 2 1 260.425 3.022 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000492817499 393767203 /nfs/dbraw/zinc/76/72/03/393767203.db2.gz KNIVZBLKISHDGV-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2CC)C1 ZINC000501423611 393852949 /nfs/dbraw/zinc/85/29/49/393852949.db2.gz NNMGOZLOTPKOKE-OAHLLOKOSA-N 2 1 290.451 3.079 20 0 CGADMP c1csc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCCC2)c1 ZINC000232471893 285569208 /nfs/dbraw/zinc/56/92/08/285569208.db2.gz YFDUSVUUCPDULA-HIFRSBDPSA-N 2 1 264.438 3.321 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCC(F)(F)C2)CC1 ZINC000450473086 393997884 /nfs/dbraw/zinc/99/78/84/393997884.db2.gz YSLPLZIZXVGJTF-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000453056410 394155575 /nfs/dbraw/zinc/15/55/75/394155575.db2.gz BXSNKCKEILHBQZ-NXHRZFHOSA-N 2 1 287.451 3.009 20 0 CGADMP CCC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCC1 ZINC000453097805 394169791 /nfs/dbraw/zinc/16/97/91/394169791.db2.gz IWAZTLJICYKVGS-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453250147 394219812 /nfs/dbraw/zinc/21/98/12/394219812.db2.gz KNTKHGRJPTUJAK-HOTGVXAUSA-N 2 1 277.456 3.111 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453250147 394219816 /nfs/dbraw/zinc/21/98/16/394219816.db2.gz KNTKHGRJPTUJAK-HOTGVXAUSA-N 2 1 277.456 3.111 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000453256680 394222964 /nfs/dbraw/zinc/22/29/64/394222964.db2.gz MHKUPBLUQOOMCI-UMVBOHGHSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000453256680 394222968 /nfs/dbraw/zinc/22/29/68/394222968.db2.gz MHKUPBLUQOOMCI-UMVBOHGHSA-N 2 1 264.388 3.267 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H]1C ZINC000453389456 394228215 /nfs/dbraw/zinc/22/82/15/394228215.db2.gz CLPFEOZUBGDCIG-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H](C1CC1)C1CCCC1)C1CC1 ZINC000453397376 394232685 /nfs/dbraw/zinc/23/26/85/394232685.db2.gz JHVFQZAVMDVHIY-KRWDZBQOSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000453408751 394237363 /nfs/dbraw/zinc/23/73/63/394237363.db2.gz SXHLIEQKUTWXNI-UHFFFAOYSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(C3CCC3)CCC2)CC[N@H+]1C ZINC000453411065 394238624 /nfs/dbraw/zinc/23/86/24/394238624.db2.gz XEHGIGANSLTONJ-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H]1OC ZINC000453413985 394239555 /nfs/dbraw/zinc/23/95/55/394239555.db2.gz WXDKVNURPOGEBY-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000453435541 394245499 /nfs/dbraw/zinc/24/54/99/394245499.db2.gz UOAFJRAEMULMOX-CYBMUJFWSA-N 2 1 264.388 3.351 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(CC)C(C)C)[C@@H](C)C1 ZINC000453469127 394248835 /nfs/dbraw/zinc/24/88/35/394248835.db2.gz ZQPSKLWTPRILPU-JONQDZQNSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000453603340 394255494 /nfs/dbraw/zinc/25/54/94/394255494.db2.gz XNXTZTDWIHIKMA-PLNGDYQASA-N 2 1 294.389 3.442 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnc3n2CCC3)c1 ZINC000667503731 542879969 /nfs/dbraw/zinc/87/99/69/542879969.db2.gz VXGAXRPDCCBXGJ-KRWDZBQOSA-N 2 1 281.403 3.475 20 0 CGADMP C1CC2(C1)CC([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000668586245 543030450 /nfs/dbraw/zinc/03/04/50/543030450.db2.gz BTDNTQBQRQROBY-AWEZNQCLSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)CC([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000668586245 543030452 /nfs/dbraw/zinc/03/04/52/543030452.db2.gz BTDNTQBQRQROBY-AWEZNQCLSA-N 2 1 262.441 3.316 20 0 CGADMP Cc1ncc(C[N@@H+](Cc2ccccc2F)CC2CC2)n1C ZINC000668612995 543036221 /nfs/dbraw/zinc/03/62/21/543036221.db2.gz GKRMHZROMYNUJG-UHFFFAOYSA-N 2 1 287.382 3.280 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000668817825 543066027 /nfs/dbraw/zinc/06/60/27/543066027.db2.gz AIGPJZNOZTXNCT-IRXDYDNUSA-N 2 1 262.441 3.197 20 0 CGADMP C[C@@H](C[N@H+]1CCCC12CC[NH+](C)CC2)C(C)(C)C ZINC000670269883 543150277 /nfs/dbraw/zinc/15/02/77/543150277.db2.gz VFQRYRSPBUHFEW-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915989 397609176 /nfs/dbraw/zinc/60/91/76/397609176.db2.gz ANGAGAUUECAOIL-KMFMINBZSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915989 397609178 /nfs/dbraw/zinc/60/91/78/397609178.db2.gz ANGAGAUUECAOIL-KMFMINBZSA-N 2 1 276.399 3.351 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000255192176 397669383 /nfs/dbraw/zinc/66/93/83/397669383.db2.gz ACQGGLXXNGXNEY-IMMZDGJCSA-N 2 1 276.399 3.113 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000255192176 397669384 /nfs/dbraw/zinc/66/93/84/397669384.db2.gz ACQGGLXXNGXNEY-IMMZDGJCSA-N 2 1 276.399 3.113 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000255192176 397669385 /nfs/dbraw/zinc/66/93/85/397669385.db2.gz ACQGGLXXNGXNEY-IMMZDGJCSA-N 2 1 276.399 3.113 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000255192176 397669387 /nfs/dbraw/zinc/66/93/87/397669387.db2.gz ACQGGLXXNGXNEY-IMMZDGJCSA-N 2 1 276.399 3.113 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000386849798 397689889 /nfs/dbraw/zinc/68/98/89/397689889.db2.gz XQBNACZACQWJQP-WMZOPIPTSA-N 2 1 295.430 3.199 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1[NH3+] ZINC000395100141 397697144 /nfs/dbraw/zinc/69/71/44/397697144.db2.gz HKEGMONQTVRMIH-HZPDHXFCSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)[C@H]1CC[NH3+] ZINC000650711053 397899035 /nfs/dbraw/zinc/89/90/35/397899035.db2.gz HDDPPVJOZGFISV-DOMZBBRYSA-N 2 1 293.480 3.360 20 0 CGADMP CCc1cccc(F)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717391 397900980 /nfs/dbraw/zinc/90/09/80/397900980.db2.gz ZBXAZQPHAGFBTF-UHFFFAOYSA-N 2 1 290.357 3.276 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1csc(C2CC2)n1 ZINC000650719218 397901354 /nfs/dbraw/zinc/90/13/54/397901354.db2.gz IGZSOOKGHOREKY-UHFFFAOYSA-N 2 1 287.432 3.030 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCc2sccc2C1 ZINC000675495644 543344014 /nfs/dbraw/zinc/34/40/14/543344014.db2.gz HWUZLTUGIHPHGK-OAHLLOKOSA-N 2 1 278.465 3.371 20 0 CGADMP CCC(CC)[C@H](CNc1nc(C)[nH+]c(C)c1C)[NH+](C)C ZINC000675548571 543346210 /nfs/dbraw/zinc/34/62/10/543346210.db2.gz TYFGFAKQZCILDS-HNNXBMFYSA-N 2 1 278.444 3.180 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2CCC2)[C@@H](C)C1 ZINC000675885307 543370288 /nfs/dbraw/zinc/37/02/88/543370288.db2.gz PKKSGNSNLBOVRV-BQFCYCMXSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000677818885 543467986 /nfs/dbraw/zinc/46/79/86/543467986.db2.gz KQNPZVBOBATWKX-SJORKVTESA-N 2 1 269.392 3.070 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000677818885 543467989 /nfs/dbraw/zinc/46/79/89/543467989.db2.gz KQNPZVBOBATWKX-SJORKVTESA-N 2 1 269.392 3.070 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000422921089 286012319 /nfs/dbraw/zinc/01/23/19/286012319.db2.gz OUKGXONPMVKYES-ARFHVFGLSA-N 2 1 296.842 3.277 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000678120716 543484827 /nfs/dbraw/zinc/48/48/27/543484827.db2.gz XZDVEMYUSQWXFP-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000678156156 543489799 /nfs/dbraw/zinc/48/97/99/543489799.db2.gz RLWCQPFYFQAKHP-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678079825 543482541 /nfs/dbraw/zinc/48/25/41/543482541.db2.gz XBNOAYIRSNMBNC-WBVHZDCISA-N 2 1 274.408 3.013 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678079825 543482544 /nfs/dbraw/zinc/48/25/44/543482544.db2.gz XBNOAYIRSNMBNC-WBVHZDCISA-N 2 1 274.408 3.013 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678079825 543482546 /nfs/dbraw/zinc/48/25/46/543482546.db2.gz XBNOAYIRSNMBNC-WBVHZDCISA-N 2 1 274.408 3.013 20 0 CGADMP CC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678179348 543491646 /nfs/dbraw/zinc/49/16/46/543491646.db2.gz JIAUPSSTUKAKKP-INIZCTEOSA-N 2 1 290.451 3.249 20 0 CGADMP CC(C)[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678335952 543516186 /nfs/dbraw/zinc/51/61/86/543516186.db2.gz QBPGZNXGFFOVEB-QGZVFWFLSA-N 2 1 290.451 3.105 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678593566 543539544 /nfs/dbraw/zinc/53/95/44/543539544.db2.gz JRVVWBWTISDDOV-WDSOQIARSA-N 2 1 286.463 3.451 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000678596968 543540228 /nfs/dbraw/zinc/54/02/28/543540228.db2.gz XPCLNSXVRXYRQW-WOSRLPQWSA-N 2 1 296.842 3.100 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000678596654 543540395 /nfs/dbraw/zinc/54/03/95/543540395.db2.gz IDKJEARGRCVROJ-AIHBUXEESA-N 2 1 284.447 3.395 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678598181 543540991 /nfs/dbraw/zinc/54/09/91/543540991.db2.gz CBMGBOYZICMRIC-SJORKVTESA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000678930294 543573889 /nfs/dbraw/zinc/57/38/89/543573889.db2.gz HVMAXAMDYGIZTF-KBXCAEBGSA-N 2 1 270.420 3.162 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C2CCC2)o1 ZINC000425936463 292205140 /nfs/dbraw/zinc/20/51/40/292205140.db2.gz MVVKVJGMTRWRIA-WBMJQRKESA-N 2 1 264.413 3.217 20 0 CGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[N@H+]3CCCC[C@H]3C)C[C@H]2C1 ZINC000424267751 286114762 /nfs/dbraw/zinc/11/47/62/286114762.db2.gz YNIYYPUMYRJPGV-ZBRFXRBCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423391363 297110069 /nfs/dbraw/zinc/11/00/69/297110069.db2.gz KYAPMYFDJVUFMO-DNIRFERGSA-N 2 1 282.478 3.261 20 0 CGADMP COCC1CCC([NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000449095884 292264843 /nfs/dbraw/zinc/26/48/43/292264843.db2.gz CGYJMNSMOIXSJB-GSXDDRDBSA-N 2 1 296.499 3.148 20 0 CGADMP COCC1CCC([NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000449095884 292264844 /nfs/dbraw/zinc/26/48/44/292264844.db2.gz CGYJMNSMOIXSJB-GSXDDRDBSA-N 2 1 296.499 3.148 20 0 CGADMP COc1ccc([C@@H]([NH2+]C2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422749102 286358847 /nfs/dbraw/zinc/35/88/47/286358847.db2.gz XNZMQQWLXLOBRK-ZWKOTPCHSA-N 2 1 288.435 3.411 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414666311 286362197 /nfs/dbraw/zinc/36/21/97/286362197.db2.gz GCOZWJHYNQGFAB-MPGHIAIKSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000359662048 289456550 /nfs/dbraw/zinc/45/65/50/289456550.db2.gz ISKWYEADWVOIBE-PWSUYJOCSA-N 2 1 266.351 3.037 20 0 CGADMP CC(C)=CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110113 287031859 /nfs/dbraw/zinc/03/18/59/287031859.db2.gz DIRBZKJWEPYLOR-SFHVURJKSA-N 2 1 272.436 3.407 20 0 CGADMP CC(C)=CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110113 287031863 /nfs/dbraw/zinc/03/18/63/287031863.db2.gz DIRBZKJWEPYLOR-SFHVURJKSA-N 2 1 272.436 3.407 20 0 CGADMP CC(C)=CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110113 287031864 /nfs/dbraw/zinc/03/18/64/287031864.db2.gz DIRBZKJWEPYLOR-SFHVURJKSA-N 2 1 272.436 3.407 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000071306924 165067583 /nfs/dbraw/zinc/06/75/83/165067583.db2.gz JMNNAPGYHBHOJS-FOGDFJRCSA-N 2 1 272.845 3.220 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000071306924 165067586 /nfs/dbraw/zinc/06/75/86/165067586.db2.gz JMNNAPGYHBHOJS-FOGDFJRCSA-N 2 1 272.845 3.220 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586085 287103114 /nfs/dbraw/zinc/10/31/14/287103114.db2.gz WTSSXGUCNCBEAR-XHSDSOJGSA-N 2 1 254.462 3.379 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC2(C1)CCCCC2 ZINC000089428809 165204849 /nfs/dbraw/zinc/20/48/49/165204849.db2.gz HCZASJGIXHEBLC-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(C1)CCCCC2 ZINC000089428809 165204847 /nfs/dbraw/zinc/20/48/47/165204847.db2.gz HCZASJGIXHEBLC-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000089428809 165204848 /nfs/dbraw/zinc/20/48/48/165204848.db2.gz HCZASJGIXHEBLC-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP CC(C)CSCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090882017 165246968 /nfs/dbraw/zinc/24/69/68/165246968.db2.gz SJDHJVRMWOWRFK-ILXRZTDVSA-N 2 1 272.502 3.084 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000094339096 165348744 /nfs/dbraw/zinc/34/87/44/165348744.db2.gz BJFHWNWKXLXISE-GUYCJALGSA-N 2 1 254.377 3.009 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000094901282 165396424 /nfs/dbraw/zinc/39/64/24/165396424.db2.gz PHYWTQHQLSQLAE-QGZVFWFLSA-N 2 1 260.425 3.056 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCCC[C@@H]1C ZINC000120055699 287177388 /nfs/dbraw/zinc/17/73/88/287177388.db2.gz FCNXCBOZAWYROV-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCCC[C@@H]1C ZINC000120055699 287177390 /nfs/dbraw/zinc/17/73/90/287177390.db2.gz FCNXCBOZAWYROV-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC000120907867 287189337 /nfs/dbraw/zinc/18/93/37/287189337.db2.gz AXQSUQAFHXRTSV-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000121719574 287202501 /nfs/dbraw/zinc/20/25/01/287202501.db2.gz YRKVXXXGLHJBAD-PMACEKPBSA-N 2 1 298.474 3.497 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]c(C)cc3c2)[C@H](C)C1 ZINC000285544594 196322494 /nfs/dbraw/zinc/32/24/94/196322494.db2.gz DMJWDKNJPHUJSP-DYVFJYSZSA-N 2 1 285.435 3.296 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(C)CC2)C1 ZINC000516700839 287273453 /nfs/dbraw/zinc/27/34/53/287273453.db2.gz CFIRECNTQYJLNP-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000516700839 287273454 /nfs/dbraw/zinc/27/34/54/287273454.db2.gz CFIRECNTQYJLNP-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000516700839 287273455 /nfs/dbraw/zinc/27/34/55/287273455.db2.gz CFIRECNTQYJLNP-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267097 173077460 /nfs/dbraw/zinc/07/74/60/173077460.db2.gz RFYFVZOHPMEOBD-AWEZNQCLSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000037267042 173077988 /nfs/dbraw/zinc/07/79/88/173077988.db2.gz ZIVOMYXFTABRHR-LLVKDONJSA-N 2 1 284.350 3.033 20 0 CGADMP C([NH2+]C1CCCCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408429 173184410 /nfs/dbraw/zinc/18/44/10/173184410.db2.gz GDHDTSLZRDUNNI-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1cc(NCCC[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000037498459 173237136 /nfs/dbraw/zinc/23/71/36/173237136.db2.gz QXRGJIWYRWTDEI-UHFFFAOYSA-N 2 1 284.407 3.027 20 0 CGADMP Cc1cc(NCCC[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000037498459 173237135 /nfs/dbraw/zinc/23/71/35/173237135.db2.gz QXRGJIWYRWTDEI-UHFFFAOYSA-N 2 1 284.407 3.027 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000038041849 174044762 /nfs/dbraw/zinc/04/47/62/174044762.db2.gz SCSQRYPCGCGMKI-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086961 174098327 /nfs/dbraw/zinc/09/83/27/174098327.db2.gz SSPFFRGLLGNUGL-AWEZNQCLSA-N 2 1 254.377 3.196 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[NH2+]CC1 ZINC000038086961 174098328 /nfs/dbraw/zinc/09/83/28/174098328.db2.gz SSPFFRGLLGNUGL-AWEZNQCLSA-N 2 1 254.377 3.196 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)[C@@H]1CC[NH3+] ZINC000404369278 416552034 /nfs/dbraw/zinc/55/20/34/416552034.db2.gz IFOOAHKCLMEYEI-RDTXWAMCSA-N 2 1 283.419 3.184 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915776 416563407 /nfs/dbraw/zinc/56/34/07/416563407.db2.gz MUROYHULGOWWJD-BRSBDYLESA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915776 416563413 /nfs/dbraw/zinc/56/34/13/416563413.db2.gz MUROYHULGOWWJD-BRSBDYLESA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915776 416563417 /nfs/dbraw/zinc/56/34/17/416563417.db2.gz MUROYHULGOWWJD-BRSBDYLESA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCc3ccccc32)CC[N@@H+]1C ZINC000679043777 543586000 /nfs/dbraw/zinc/58/60/00/543586000.db2.gz KHSUCFPKCLVLOM-KYJSFNMBSA-N 2 1 272.436 3.310 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCc3ccccc32)CC[N@H+]1C ZINC000679043777 543586003 /nfs/dbraw/zinc/58/60/03/543586003.db2.gz KHSUCFPKCLVLOM-KYJSFNMBSA-N 2 1 272.436 3.310 20 0 CGADMP CC(C)c1cnc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)s1 ZINC000680329150 543697417 /nfs/dbraw/zinc/69/74/17/543697417.db2.gz LUAWIDWFMVBNSN-ZDUSSCGKSA-N 2 1 290.436 3.300 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@H](n3ccnc3)C2)s1 ZINC000680329150 543697418 /nfs/dbraw/zinc/69/74/18/543697418.db2.gz LUAWIDWFMVBNSN-ZDUSSCGKSA-N 2 1 290.436 3.300 20 0 CGADMP C[C@H]1C[C@@H](NCc2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000130449411 287356028 /nfs/dbraw/zinc/35/60/28/287356028.db2.gz FXWPUDHEJJAVHR-CMPLNLGQSA-N 2 1 282.790 3.194 20 0 CGADMP C[C@H]1C[C@@H](NCc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000130449411 287356030 /nfs/dbraw/zinc/35/60/30/287356030.db2.gz FXWPUDHEJJAVHR-CMPLNLGQSA-N 2 1 282.790 3.194 20 0 CGADMP COc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000682069724 543818988 /nfs/dbraw/zinc/81/89/88/543818988.db2.gz HYZWYCXFRAMFHF-CVEARBPZSA-N 2 1 290.451 3.257 20 0 CGADMP CC[N@@H+](CCCc1ccc(C)nc1)Cc1ccoc1 ZINC000681783996 543808445 /nfs/dbraw/zinc/80/84/45/543808445.db2.gz UHXVSKSNZXHMCM-UHFFFAOYSA-N 2 1 258.365 3.438 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2nccc3ccccc32)CC1 ZINC000683357858 543910218 /nfs/dbraw/zinc/91/02/18/543910218.db2.gz GRLYWNNKAKVEMH-MRXNPFEDSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2nccc3ccccc32)CC1 ZINC000683357858 543910220 /nfs/dbraw/zinc/91/02/20/543910220.db2.gz GRLYWNNKAKVEMH-MRXNPFEDSA-N 2 1 283.419 3.151 20 0 CGADMP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CCC1 ZINC000684429711 543999653 /nfs/dbraw/zinc/99/96/53/543999653.db2.gz YSGLKILCMAYNBC-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(O)cc1 ZINC000685462794 544075049 /nfs/dbraw/zinc/07/50/49/544075049.db2.gz FJKQXBDNXJTEBS-UHFFFAOYSA-N 2 1 287.407 3.063 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(O)cc1 ZINC000685462794 544075051 /nfs/dbraw/zinc/07/50/51/544075051.db2.gz FJKQXBDNXJTEBS-UHFFFAOYSA-N 2 1 287.407 3.063 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000685840986 544099872 /nfs/dbraw/zinc/09/98/72/544099872.db2.gz GXUGUIJAOBLDJQ-GOSISDBHSA-N 2 1 284.447 3.008 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000685840986 544099875 /nfs/dbraw/zinc/09/98/75/544099875.db2.gz GXUGUIJAOBLDJQ-GOSISDBHSA-N 2 1 284.447 3.008 20 0 CGADMP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000352797266 227234999 /nfs/dbraw/zinc/23/49/99/227234999.db2.gz VZNUZAUKFCCOQR-BOPNBLERSA-N 2 1 292.373 3.052 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000658326397 418935789 /nfs/dbraw/zinc/93/57/89/418935789.db2.gz DSWVLSFGKYUYMX-BRSBDYLESA-N 2 1 294.483 3.044 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)CCC2 ZINC000652222699 418938516 /nfs/dbraw/zinc/93/85/16/418938516.db2.gz VROATZWDZSICJQ-AWEZNQCLSA-N 2 1 295.496 3.396 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)CCC2 ZINC000652222699 418938518 /nfs/dbraw/zinc/93/85/18/418938518.db2.gz VROATZWDZSICJQ-AWEZNQCLSA-N 2 1 295.496 3.396 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658337331 418941660 /nfs/dbraw/zinc/94/16/60/418941660.db2.gz GBTFQZAJKZQOCH-RKVPGOIHSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658337331 418941663 /nfs/dbraw/zinc/94/16/63/418941663.db2.gz GBTFQZAJKZQOCH-RKVPGOIHSA-N 2 1 272.436 3.445 20 0 CGADMP CC[N@@H+](CCC(F)(F)F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337533 418954559 /nfs/dbraw/zinc/95/45/59/418954559.db2.gz RTKCTJFBSAURQL-UHFFFAOYSA-N 2 1 286.341 3.107 20 0 CGADMP C[C@]1(c2cccc(F)c2)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000652350078 418957011 /nfs/dbraw/zinc/95/70/11/418957011.db2.gz FBGDQHNVJZQKIH-YJBOKZPZSA-N 2 1 290.426 3.179 20 0 CGADMP Fc1ccccc1C[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000652358575 418957020 /nfs/dbraw/zinc/95/70/20/418957020.db2.gz SZJSRYYIOULESP-NVXWUHKLSA-N 2 1 290.426 3.222 20 0 CGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3CC=CC3)C2)CC1 ZINC000659868373 419022680 /nfs/dbraw/zinc/02/26/80/419022680.db2.gz ZWHHXARXZITQNY-SFHVURJKSA-N 2 1 276.468 3.397 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)C2CC2)C1 ZINC000653565600 419050479 /nfs/dbraw/zinc/05/04/79/419050479.db2.gz VAXQQEHTGOGXPL-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653565600 419050482 /nfs/dbraw/zinc/05/04/82/419050482.db2.gz VAXQQEHTGOGXPL-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653565600 419050486 /nfs/dbraw/zinc/05/04/86/419050486.db2.gz VAXQQEHTGOGXPL-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP c1cc2c(cc[nH+]c2NC[C@H]2CC[N@H+]2Cc2ccccc2)[nH]1 ZINC000664632367 418989032 /nfs/dbraw/zinc/98/90/32/418989032.db2.gz RHZLWDUIEDUXBO-OAHLLOKOSA-N 2 1 292.386 3.249 20 0 CGADMP CCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250204 419091805 /nfs/dbraw/zinc/09/18/05/419091805.db2.gz KITJJTTVNUABCT-USXIJHARSA-N 2 1 260.425 3.300 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CCCC1 ZINC000665249405 419092393 /nfs/dbraw/zinc/09/23/93/419092393.db2.gz PTGNUEQZWMPMHN-CQSZACIVSA-N 2 1 264.800 3.188 20 0 CGADMP CC1(C)CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771173 419092834 /nfs/dbraw/zinc/09/28/34/419092834.db2.gz BZEDZLKDHLBSHR-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665256533 419093595 /nfs/dbraw/zinc/09/35/95/419093595.db2.gz DKGPVOOBDXGHBQ-BQGCOEIASA-N 2 1 278.415 3.295 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252717 419093615 /nfs/dbraw/zinc/09/36/15/419093615.db2.gz XIPJVFKBZBQHCZ-ZTFGCOKTSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000665253011 419093946 /nfs/dbraw/zinc/09/39/46/419093946.db2.gz CYYSWAFRUPYVPG-OEFWNQGBSA-N 2 1 294.389 3.044 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257490 419095853 /nfs/dbraw/zinc/09/58/53/419095853.db2.gz KZPJAKICHBPGDR-VDNDLQMASA-N 2 1 276.399 3.049 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCC(F)(F)CC1 ZINC000653872089 419099637 /nfs/dbraw/zinc/09/96/37/419099637.db2.gz OPHPXUNNXUFQBP-OCCSQVGLSA-N 2 1 274.399 3.274 20 0 CGADMP Fc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCCC2)cc1 ZINC000665278569 419100003 /nfs/dbraw/zinc/10/00/03/419100003.db2.gz IKWHZKADZBEGIQ-LKGZKJKYSA-N 2 1 288.410 3.399 20 0 CGADMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc2ccccc2s1 ZINC000665279565 419101216 /nfs/dbraw/zinc/10/12/16/419101216.db2.gz GFKYQVJRZUDGJJ-OPGSHWCFSA-N 2 1 272.417 3.304 20 0 CGADMP COCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000655818162 419108168 /nfs/dbraw/zinc/10/81/68/419108168.db2.gz QVPKMINDUSZSJS-AWEZNQCLSA-N 2 1 299.418 3.258 20 0 CGADMP COCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000655818164 419108343 /nfs/dbraw/zinc/10/83/43/419108343.db2.gz QVPKMINDUSZSJS-CQSZACIVSA-N 2 1 299.418 3.258 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000665297634 419111223 /nfs/dbraw/zinc/11/12/23/419111223.db2.gz JBTZWIQHZDSGAF-KBPBESRZSA-N 2 1 298.858 3.393 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC000659981930 419052653 /nfs/dbraw/zinc/05/26/53/419052653.db2.gz AFYQBEHAYFENKX-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659981930 419052655 /nfs/dbraw/zinc/05/26/55/419052655.db2.gz AFYQBEHAYFENKX-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659981930 419052658 /nfs/dbraw/zinc/05/26/58/419052658.db2.gz AFYQBEHAYFENKX-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CCC2)C[C@H]1C ZINC000659982984 419053509 /nfs/dbraw/zinc/05/35/09/419053509.db2.gz AXRRHRMUJMAUEQ-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2CCC2)C[C@H]1C ZINC000659982984 419053513 /nfs/dbraw/zinc/05/35/13/419053513.db2.gz AXRRHRMUJMAUEQ-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2CCC2)C[C@H]1C ZINC000659982984 419053518 /nfs/dbraw/zinc/05/35/18/419053518.db2.gz AXRRHRMUJMAUEQ-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655690734 419066022 /nfs/dbraw/zinc/06/60/22/419066022.db2.gz JZXGPQMZMLBKPA-OWCLPIDISA-N 2 1 284.513 3.372 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C)C1 ZINC000660081179 419072760 /nfs/dbraw/zinc/07/27/60/419072760.db2.gz FUWFBNLWBMNIOA-BIVLZKPYSA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C)C1 ZINC000660081179 419072763 /nfs/dbraw/zinc/07/27/63/419072763.db2.gz FUWFBNLWBMNIOA-BIVLZKPYSA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C)C1 ZINC000660081179 419072767 /nfs/dbraw/zinc/07/27/67/419072767.db2.gz FUWFBNLWBMNIOA-BIVLZKPYSA-N 2 1 264.457 3.085 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2ccccn2)C1 ZINC000660632868 419172306 /nfs/dbraw/zinc/17/23/06/419172306.db2.gz XZNWAQHHXBFNEH-DLBZAZTESA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660632868 419172310 /nfs/dbraw/zinc/17/23/10/419172310.db2.gz XZNWAQHHXBFNEH-DLBZAZTESA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660632868 419172313 /nfs/dbraw/zinc/17/23/13/419172313.db2.gz XZNWAQHHXBFNEH-DLBZAZTESA-N 2 1 287.451 3.135 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660658141 419176729 /nfs/dbraw/zinc/17/67/29/419176729.db2.gz CQTNMJLTQFMIPP-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660658141 419176731 /nfs/dbraw/zinc/17/67/31/419176731.db2.gz CQTNMJLTQFMIPP-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660658141 419176734 /nfs/dbraw/zinc/17/67/34/419176734.db2.gz CQTNMJLTQFMIPP-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660658141 419176736 /nfs/dbraw/zinc/17/67/36/419176736.db2.gz CQTNMJLTQFMIPP-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP C[C@@H](c1nc2ccccc2o1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661073 419177696 /nfs/dbraw/zinc/17/76/96/419177696.db2.gz BPXXZGZXYVNDDF-KBXCAEBGSA-N 2 1 299.418 3.307 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660658543 419177854 /nfs/dbraw/zinc/17/78/54/419177854.db2.gz GSDPOLMMFNZXME-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660658543 419177858 /nfs/dbraw/zinc/17/78/58/419177858.db2.gz GSDPOLMMFNZXME-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660658543 419177861 /nfs/dbraw/zinc/17/78/61/419177861.db2.gz GSDPOLMMFNZXME-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP CSc1ccccc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665068 419179200 /nfs/dbraw/zinc/17/92/00/419179200.db2.gz TZFHEBUAYVCYBO-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665068 419179202 /nfs/dbraw/zinc/17/92/02/419179202.db2.gz TZFHEBUAYVCYBO-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665068 419179205 /nfs/dbraw/zinc/17/92/05/419179205.db2.gz TZFHEBUAYVCYBO-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000655938285 419127847 /nfs/dbraw/zinc/12/78/47/419127847.db2.gz RBJTXEXTKCBMDL-GOSISDBHSA-N 2 1 288.435 3.004 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000655938285 419127850 /nfs/dbraw/zinc/12/78/50/419127850.db2.gz RBJTXEXTKCBMDL-GOSISDBHSA-N 2 1 288.435 3.004 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000657331182 419251877 /nfs/dbraw/zinc/25/18/77/419251877.db2.gz RGABLRHKAQCZKN-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CCCC1 ZINC000656788394 419219651 /nfs/dbraw/zinc/21/96/51/419219651.db2.gz NBZKEVNNCCOCGK-UHFFFAOYSA-N 2 1 273.207 3.355 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000666487863 419221569 /nfs/dbraw/zinc/22/15/69/419221569.db2.gz QJGNDVXMEWWMKL-INIZCTEOSA-N 2 1 296.418 3.198 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000657175089 419229692 /nfs/dbraw/zinc/22/96/92/419229692.db2.gz YANAVTKHUXKJJL-VQIMIIECSA-N 2 1 286.463 3.256 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657559695 419304073 /nfs/dbraw/zinc/30/40/73/419304073.db2.gz PYGPEVPQKNIDAM-QGTPRVQTSA-N 2 1 290.426 3.282 20 0 CGADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000657678317 419326655 /nfs/dbraw/zinc/32/66/55/419326655.db2.gz PJSGYTAJAVKVOA-CVEARBPZSA-N 2 1 292.467 3.085 20 0 CGADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000657678317 419326658 /nfs/dbraw/zinc/32/66/58/419326658.db2.gz PJSGYTAJAVKVOA-CVEARBPZSA-N 2 1 292.467 3.085 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000657677462 419327131 /nfs/dbraw/zinc/32/71/31/419327131.db2.gz DIPKUAAXYMCWHS-JZXOWHBKSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000657677462 419327132 /nfs/dbraw/zinc/32/71/32/419327132.db2.gz DIPKUAAXYMCWHS-JZXOWHBKSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000662319957 419389169 /nfs/dbraw/zinc/38/91/69/419389169.db2.gz RGYCIEALZIWHNB-BHYGNILZSA-N 2 1 290.451 3.391 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1CC1CCC1)[C@@H]1CC[NH2+]C1 ZINC000662320638 419389771 /nfs/dbraw/zinc/38/97/71/419389771.db2.gz VQCVDKYBUBRXCT-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000657875930 419398091 /nfs/dbraw/zinc/39/80/91/419398091.db2.gz JSSMPMGGUQHAEP-VXGBXAGGSA-N 2 1 283.366 3.012 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000657875930 419398098 /nfs/dbraw/zinc/39/80/98/419398098.db2.gz JSSMPMGGUQHAEP-VXGBXAGGSA-N 2 1 283.366 3.012 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000662243728 419369860 /nfs/dbraw/zinc/36/98/60/419369860.db2.gz JSJVGDKZJJCEQW-CJNGLKHVSA-N 2 1 260.425 3.153 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000662235330 419370343 /nfs/dbraw/zinc/37/03/43/419370343.db2.gz QIIMHLRRDQICHL-MRXNPFEDSA-N 2 1 284.447 3.323 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662244476 419371841 /nfs/dbraw/zinc/37/18/41/419371841.db2.gz HEBCUIPYKTTWSW-USXIJHARSA-N 2 1 272.436 3.166 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1nsc2ccccc21 ZINC000662248288 419372254 /nfs/dbraw/zinc/37/22/54/419372254.db2.gz YEBOKZKLWBDTRF-AWEZNQCLSA-N 2 1 291.464 3.144 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662246185 419373090 /nfs/dbraw/zinc/37/30/90/419373090.db2.gz PGPBJCTYDSGZOI-ZNMIVQPWSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(F)F)nc1 ZINC000657823430 419373514 /nfs/dbraw/zinc/37/35/14/419373514.db2.gz FYFJPJMPTVREEU-GFCCVEGCSA-N 2 1 283.366 3.156 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662263886 419375242 /nfs/dbraw/zinc/37/52/42/419375242.db2.gz GHSCBWCSQTYECE-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000662266911 419376616 /nfs/dbraw/zinc/37/66/16/419376616.db2.gz QPUDZFBMQDIUNV-BHYGNILZSA-N 2 1 272.436 3.153 20 0 CGADMP CCOC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000657837481 419381483 /nfs/dbraw/zinc/38/14/83/419381483.db2.gz GXXKVXOWIHAYCE-WWDZGPRUSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274376 419381603 /nfs/dbraw/zinc/38/16/03/419381603.db2.gz SOTKRTFKPGOXDN-NVXWUHKLSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274376 419381610 /nfs/dbraw/zinc/38/16/10/419381610.db2.gz SOTKRTFKPGOXDN-NVXWUHKLSA-N 2 1 272.436 3.168 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662277553 419381750 /nfs/dbraw/zinc/38/17/50/419381750.db2.gz WBNQLLCHKMDBJE-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657907870 419431561 /nfs/dbraw/zinc/43/15/61/419431561.db2.gz DDUUKEPIGRCCCG-CYBMUJFWSA-N 2 1 287.407 3.351 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1COC2(CCC2)C1)C1CCCCC1 ZINC000658044037 419519815 /nfs/dbraw/zinc/51/98/15/419519815.db2.gz VOFRAGNQMSEKAP-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CC1(C)C ZINC000663344341 419567563 /nfs/dbraw/zinc/56/75/63/419567563.db2.gz RVNXCADLOBOZAR-CWRNSKLLSA-N 2 1 264.457 3.133 20 0 CGADMP CCC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346249 419565838 /nfs/dbraw/zinc/56/58/38/419565838.db2.gz RPOGIVSTZCDQLO-ZBFHGGJFSA-N 2 1 252.446 3.134 20 0 CGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663347261 419566165 /nfs/dbraw/zinc/56/61/65/419566165.db2.gz IGYWHFOMUPXUSA-HNNXBMFYSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663347261 419566169 /nfs/dbraw/zinc/56/61/69/419566169.db2.gz IGYWHFOMUPXUSA-HNNXBMFYSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1F ZINC000663344339 419566382 /nfs/dbraw/zinc/56/63/82/419566382.db2.gz RUFTZMRPAQKRIA-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1F ZINC000663344339 419566388 /nfs/dbraw/zinc/56/63/88/419566388.db2.gz RUFTZMRPAQKRIA-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1F ZINC000658165024 419631880 /nfs/dbraw/zinc/63/18/80/419631880.db2.gz BZANYJFNHXTIPJ-MRXNPFEDSA-N 2 1 264.388 3.207 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H](C)C1 ZINC000663480240 419633104 /nfs/dbraw/zinc/63/31/04/419633104.db2.gz XQLFZUFYGASLKO-VXGBXAGGSA-N 2 1 280.378 3.285 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000663514441 419639549 /nfs/dbraw/zinc/63/95/49/419639549.db2.gz RKRUDCBQRZBZLK-MNOVXSKESA-N 2 1 274.330 3.006 20 0 CGADMP Fc1ccc2c(N[C@@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000663428726 419601505 /nfs/dbraw/zinc/60/15/05/419601505.db2.gz QWPARWBXDNRCCI-GFCCVEGCSA-N 2 1 271.339 3.023 20 0 CGADMP Fc1ccc2c(N[C@@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000663428726 419601510 /nfs/dbraw/zinc/60/15/10/419601510.db2.gz QWPARWBXDNRCCI-GFCCVEGCSA-N 2 1 271.339 3.023 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464590 419617078 /nfs/dbraw/zinc/61/70/78/419617078.db2.gz DTUMHDLRUBVINW-YOEHRIQHSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C(F)F ZINC000663466515 419620030 /nfs/dbraw/zinc/62/00/30/419620030.db2.gz UYSZLOWZIJDGTG-JSGCOSHPSA-N 2 1 288.426 3.378 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663470175 419627592 /nfs/dbraw/zinc/62/75/92/419627592.db2.gz SQVJZWCAMZHCOQ-WBVHZDCISA-N 2 1 272.436 3.459 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC000663775968 419710183 /nfs/dbraw/zinc/71/01/83/419710183.db2.gz NPPNKHPGSZUHNB-UHFFFAOYSA-N 2 1 285.313 3.083 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC000663775968 419710194 /nfs/dbraw/zinc/71/01/94/419710194.db2.gz NPPNKHPGSZUHNB-UHFFFAOYSA-N 2 1 285.313 3.083 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000658177411 419645545 /nfs/dbraw/zinc/64/55/45/419645545.db2.gz PSARTHPVSQAEMV-SJLPKXTDSA-N 2 1 274.452 3.166 20 0 CGADMP C[C@@H]1C[C@H](NCC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526039354 260002345 /nfs/dbraw/zinc/00/23/45/260002345.db2.gz HLBCQBVUHGOSEL-GDBMZVCRSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000526039354 260002347 /nfs/dbraw/zinc/00/23/47/260002347.db2.gz HLBCQBVUHGOSEL-GDBMZVCRSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526039354 260002348 /nfs/dbraw/zinc/00/23/48/260002348.db2.gz HLBCQBVUHGOSEL-GDBMZVCRSA-N 2 1 276.399 3.131 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000229532886 260131905 /nfs/dbraw/zinc/13/19/05/260131905.db2.gz DTEHJTQBRBUHEG-CVEARBPZSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C(C)C ZINC000229532886 260131909 /nfs/dbraw/zinc/13/19/09/260131909.db2.gz DTEHJTQBRBUHEG-CVEARBPZSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccsc2)CC[N@@H+]1C ZINC000360966294 261139726 /nfs/dbraw/zinc/13/97/26/261139726.db2.gz OGDKUSLKVLNXDF-ZFWWWQNUSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccsc2)CC[N@H+]1C ZINC000360966294 261139728 /nfs/dbraw/zinc/13/97/28/261139728.db2.gz OGDKUSLKVLNXDF-ZFWWWQNUSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2ccsc2)CC[NH+]1C ZINC000360966294 261139729 /nfs/dbraw/zinc/13/97/29/261139729.db2.gz OGDKUSLKVLNXDF-ZFWWWQNUSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccsc2)CC[NH+]1C ZINC000360966294 261139731 /nfs/dbraw/zinc/13/97/31/261139731.db2.gz OGDKUSLKVLNXDF-ZFWWWQNUSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394527033 261383193 /nfs/dbraw/zinc/38/31/93/261383193.db2.gz GCORARDQFLQHBF-GDBMZVCRSA-N 2 1 252.446 3.406 20 0 CGADMP CCCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000191432534 262192242 /nfs/dbraw/zinc/19/22/42/262192242.db2.gz CMRKYNLMMYUYAP-UHFFFAOYSA-N 2 1 297.531 3.303 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390748743 262250846 /nfs/dbraw/zinc/25/08/46/262250846.db2.gz RGDAKOCCSMVFBD-WMZOPIPTSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000390835990 262349670 /nfs/dbraw/zinc/34/96/70/262349670.db2.gz IQGYGKPAELAWID-SDKNFDLMSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000390836080 262350015 /nfs/dbraw/zinc/35/00/15/262350015.db2.gz UPNWFZXZOGKABV-LDBYLJPUSA-N 2 1 294.483 3.041 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000021515412 262387899 /nfs/dbraw/zinc/38/78/99/262387899.db2.gz OCCUOFXFTQIOHR-MRXNPFEDSA-N 2 1 290.451 3.468 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000021515414 262388269 /nfs/dbraw/zinc/38/82/69/262388269.db2.gz OCCUOFXFTQIOHR-INIZCTEOSA-N 2 1 290.451 3.468 20 0 CGADMP C1CC1[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000035054412 270027406 /nfs/dbraw/zinc/02/74/06/270027406.db2.gz FEVJXUUTLVSIPF-UHFFFAOYSA-N 2 1 274.452 3.028 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000044533388 270035810 /nfs/dbraw/zinc/03/58/10/270035810.db2.gz YTMIFKHHTSZTMZ-INIZCTEOSA-N 2 1 260.425 3.043 20 0 CGADMP CCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821352 270044234 /nfs/dbraw/zinc/04/42/34/270044234.db2.gz PFRDLXQLLKOSJE-UHFFFAOYSA-N 2 1 275.440 3.420 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000186086442 270064748 /nfs/dbraw/zinc/06/47/48/270064748.db2.gz MFHBBGIIRCIWPR-KRWDZBQOSA-N 2 1 272.436 3.365 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000227200244 270087083 /nfs/dbraw/zinc/08/70/83/270087083.db2.gz GCEFZJSLGJCHSL-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227631277 270087225 /nfs/dbraw/zinc/08/72/25/270087225.db2.gz HOSGRABLWYVIMM-KURKYZTESA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227631277 270087226 /nfs/dbraw/zinc/08/72/26/270087226.db2.gz HOSGRABLWYVIMM-KURKYZTESA-N 2 1 272.436 3.224 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CCCC1 ZINC000227873118 270087643 /nfs/dbraw/zinc/08/76/43/270087643.db2.gz WFAHUBCQXYPWBE-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CCCC1 ZINC000227873118 270087644 /nfs/dbraw/zinc/08/76/44/270087644.db2.gz WFAHUBCQXYPWBE-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C(C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)C(C)C ZINC000519562887 270097634 /nfs/dbraw/zinc/09/76/34/270097634.db2.gz FMOKNNNAWJRQJD-DOTOQJQBSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C(C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)C(C)C ZINC000519562887 270097635 /nfs/dbraw/zinc/09/76/35/270097635.db2.gz FMOKNNNAWJRQJD-DOTOQJQBSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C(C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C(C)C ZINC000519562887 270097636 /nfs/dbraw/zinc/09/76/36/270097636.db2.gz FMOKNNNAWJRQJD-DOTOQJQBSA-N 2 1 266.473 3.331 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)Cc2ccccc2)CC1 ZINC000521510382 270102230 /nfs/dbraw/zinc/10/22/30/270102230.db2.gz ARFXLPRGNFWDOC-INIZCTEOSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)Cc2ccccc2)CC1 ZINC000521510382 270102231 /nfs/dbraw/zinc/10/22/31/270102231.db2.gz ARFXLPRGNFWDOC-INIZCTEOSA-N 2 1 274.452 3.281 20 0 CGADMP c1ccc2c(c1)CCC(C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000527733367 270132945 /nfs/dbraw/zinc/13/29/45/270132945.db2.gz GHKYEINWGXPOTP-PMACEKPBSA-N 2 1 298.474 3.398 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527842477 270138853 /nfs/dbraw/zinc/13/88/53/270138853.db2.gz KHFUDDQLMPAMTI-CRAIPNDOSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CC12CC2 ZINC000527844182 270139221 /nfs/dbraw/zinc/13/92/21/270139221.db2.gz GPLOOLJNMBQZON-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527861559 270140311 /nfs/dbraw/zinc/14/03/11/270140311.db2.gz LWOZIPVJSSSWAW-BZNIZROVSA-N 2 1 296.817 3.398 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527355 270182817 /nfs/dbraw/zinc/18/28/17/270182817.db2.gz DASLJUAZJYRACF-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527355 270182818 /nfs/dbraw/zinc/18/28/18/270182818.db2.gz DASLJUAZJYRACF-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527355 270182819 /nfs/dbraw/zinc/18/28/19/270182819.db2.gz DASLJUAZJYRACF-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC(F)(F)C1 ZINC000529547750 270183889 /nfs/dbraw/zinc/18/38/89/270183889.db2.gz IOJVDBJBECJXPH-NDNKKMJESA-N 2 1 272.383 3.025 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC(F)(F)C1 ZINC000529547750 270183890 /nfs/dbraw/zinc/18/38/90/270183890.db2.gz IOJVDBJBECJXPH-NDNKKMJESA-N 2 1 272.383 3.025 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C(C)C)cc1 ZINC000530214206 270195663 /nfs/dbraw/zinc/19/56/63/270195663.db2.gz CEIWAVDBQZJBRZ-IAGOWNOFSA-N 2 1 288.435 3.267 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1 ZINC000530244511 270197307 /nfs/dbraw/zinc/19/73/07/270197307.db2.gz MARZHHCSYPCOMF-DOMZBBRYSA-N 2 1 278.827 3.318 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000530513225 270200749 /nfs/dbraw/zinc/20/07/49/270200749.db2.gz UFWVQKQZTRMOMZ-IAGOWNOFSA-N 2 1 287.382 3.028 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000531687416 270208628 /nfs/dbraw/zinc/20/86/28/270208628.db2.gz VAVWOMMUDPQKAG-CVEARBPZSA-N 2 1 274.452 3.459 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000531687416 270208629 /nfs/dbraw/zinc/20/86/29/270208629.db2.gz VAVWOMMUDPQKAG-CVEARBPZSA-N 2 1 274.452 3.459 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000531957094 270211789 /nfs/dbraw/zinc/21/17/89/270211789.db2.gz GVWWLRJRJUGPKQ-DOTOQJQBSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000531957094 270211790 /nfs/dbraw/zinc/21/17/90/270211790.db2.gz GVWWLRJRJUGPKQ-DOTOQJQBSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]1CCC[NH+]1CC(C)C[N@@H+]1CCC[C@@H]1CC ZINC000533287168 270223166 /nfs/dbraw/zinc/22/31/66/270223166.db2.gz UNGKUOMOTGVBGD-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC(C)C[N@H+](CC)C1CCC1)C1CCC1 ZINC000533300638 270223279 /nfs/dbraw/zinc/22/32/79/270223279.db2.gz IFVWDPJCVHTKJA-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000085098378 287705667 /nfs/dbraw/zinc/70/56/67/287705667.db2.gz TVFDJDOJGFGGRQ-XJKCOSOUSA-N 2 1 250.430 3.028 20 0 CGADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423164781 274086600 /nfs/dbraw/zinc/08/66/00/274086600.db2.gz AFYSCVNNFKDDGD-OKYOBFRVSA-N 2 1 294.398 3.033 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000414185496 274135716 /nfs/dbraw/zinc/13/57/16/274135716.db2.gz OSPXQOOCTXMKNE-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP COc1cccc2c(NC[C@H](C)C[NH+](C)C)cc(C)[nH+]c12 ZINC000488993768 274150577 /nfs/dbraw/zinc/15/05/77/274150577.db2.gz ORZQKMRIYQDLEH-LBPRGKRZSA-N 2 1 287.407 3.161 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1 ZINC000275259197 274334678 /nfs/dbraw/zinc/33/46/78/274334678.db2.gz JOJMOCKLNXTNQU-DOMZBBRYSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1 ZINC000275259197 274334682 /nfs/dbraw/zinc/33/46/82/274334682.db2.gz JOJMOCKLNXTNQU-DOMZBBRYSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1 ZINC000275259197 274334685 /nfs/dbraw/zinc/33/46/85/274334685.db2.gz JOJMOCKLNXTNQU-DOMZBBRYSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000275259197 274334688 /nfs/dbraw/zinc/33/46/88/274334688.db2.gz JOJMOCKLNXTNQU-DOMZBBRYSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000453238719 274335388 /nfs/dbraw/zinc/33/53/88/274335388.db2.gz AIXOIQLGYXIRAC-QGPMSJSTSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000127222202 274340495 /nfs/dbraw/zinc/34/04/95/274340495.db2.gz RGHDEHOGKSPFHW-BFYDXBDKSA-N 2 1 272.436 3.037 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)CC[NH2+]1 ZINC000335537759 274614282 /nfs/dbraw/zinc/61/42/82/274614282.db2.gz DDDGMVQTJGGGCO-KBPBESRZSA-N 2 1 278.399 3.487 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccccc2C)CC1 ZINC000270820339 274861246 /nfs/dbraw/zinc/86/12/46/274861246.db2.gz AYIJKDPAUQPJJU-UHFFFAOYSA-N 2 1 283.419 3.380 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346843251 275068111 /nfs/dbraw/zinc/06/81/11/275068111.db2.gz XSDLOVUFWBKDSB-FUHWJXTLSA-N 2 1 272.436 3.256 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000481306562 275677681 /nfs/dbraw/zinc/67/76/81/275677681.db2.gz INUAQRHBLXECFL-XHSDSOJGSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+][C@H](C)C[NH+]2CCCCCC2)C1 ZINC000488490919 275872293 /nfs/dbraw/zinc/87/22/93/275872293.db2.gz VDKHYKRCQABUBA-QQFBHYJXSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000310783742 275895820 /nfs/dbraw/zinc/89/58/20/275895820.db2.gz SEULGOUAUVGJIG-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCC1CC1)[NH+]1CCCC1 ZINC000346528095 275982629 /nfs/dbraw/zinc/98/26/29/275982629.db2.gz JEYSYTHLUWAYQZ-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000488437993 276000572 /nfs/dbraw/zinc/00/05/72/276000572.db2.gz LREYCRLTXIVETQ-XHSDSOJGSA-N 2 1 284.513 3.371 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC(F)(F)F ZINC000353974829 276009237 /nfs/dbraw/zinc/00/92/37/276009237.db2.gz SPJSMIZEYWMCBY-VXGBXAGGSA-N 2 1 266.351 3.181 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC(F)(F)F ZINC000353974829 276009238 /nfs/dbraw/zinc/00/92/38/276009238.db2.gz SPJSMIZEYWMCBY-VXGBXAGGSA-N 2 1 266.351 3.181 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000437109105 276015427 /nfs/dbraw/zinc/01/54/27/276015427.db2.gz WBJLMBDAJFWZJK-UTUOFQBUSA-N 2 1 266.351 3.036 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000437109105 276015428 /nfs/dbraw/zinc/01/54/28/276015428.db2.gz WBJLMBDAJFWZJK-UTUOFQBUSA-N 2 1 266.351 3.036 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccnc1 ZINC000247101045 276018530 /nfs/dbraw/zinc/01/85/30/276018530.db2.gz OPWRVEJIMGYUEU-MXSMSXNCSA-N 2 1 289.467 3.140 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423477634 276019379 /nfs/dbraw/zinc/01/93/79/276019379.db2.gz MKTKZNSUXDSUIJ-HOTGVXAUSA-N 2 1 296.405 3.088 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163732702 276023280 /nfs/dbraw/zinc/02/32/80/276023280.db2.gz RVZPGELRJNCWOZ-BPQIPLTHSA-N 2 1 274.452 3.470 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163732702 276023282 /nfs/dbraw/zinc/02/32/82/276023282.db2.gz RVZPGELRJNCWOZ-BPQIPLTHSA-N 2 1 274.452 3.470 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675488 276074807 /nfs/dbraw/zinc/07/48/07/276074807.db2.gz GOWDRGYWVMYACG-HUUCEWRRSA-N 2 1 278.415 3.203 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675488 276074808 /nfs/dbraw/zinc/07/48/08/276074808.db2.gz GOWDRGYWVMYACG-HUUCEWRRSA-N 2 1 278.415 3.203 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675488 276074809 /nfs/dbraw/zinc/07/48/09/276074809.db2.gz GOWDRGYWVMYACG-HUUCEWRRSA-N 2 1 278.415 3.203 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000351355531 276095705 /nfs/dbraw/zinc/09/57/05/276095705.db2.gz YJAWTHOCFPOMLA-QGZVFWFLSA-N 2 1 260.425 3.338 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000187672265 276095772 /nfs/dbraw/zinc/09/57/72/276095772.db2.gz PFADYXUAPLXVOV-OAHLLOKOSA-N 2 1 295.496 3.493 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000187672265 276095774 /nfs/dbraw/zinc/09/57/74/276095774.db2.gz PFADYXUAPLXVOV-OAHLLOKOSA-N 2 1 295.496 3.493 20 0 CGADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000300415240 276168621 /nfs/dbraw/zinc/16/86/21/276168621.db2.gz UAXCSPUKPMZAEY-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP CC1CCC(C)(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000359026911 276188346 /nfs/dbraw/zinc/18/83/46/276188346.db2.gz GBWMTICJDVGPNI-PYBGIAKNSA-N 2 1 252.446 3.275 20 0 CGADMP CC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000019912901 276190853 /nfs/dbraw/zinc/19/08/53/276190853.db2.gz NSZPBQBLWOYGNO-HWOWSKLDSA-N 2 1 252.446 3.419 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000513696582 276219566 /nfs/dbraw/zinc/21/95/66/276219566.db2.gz AWWZNZREGLWAHQ-BZUAXINKSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000037643703 276397835 /nfs/dbraw/zinc/39/78/35/276397835.db2.gz NQEXJIJDAQQBDR-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000246674261 276399156 /nfs/dbraw/zinc/39/91/56/276399156.db2.gz FQEXQGKETLWJOH-QLFBSQMISA-N 2 1 270.486 3.077 20 0 CGADMP CCS[C@@H]1CC[C@H]([NH+](C)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000246674261 276399159 /nfs/dbraw/zinc/39/91/59/276399159.db2.gz FQEXQGKETLWJOH-QLFBSQMISA-N 2 1 270.486 3.077 20 0 CGADMP CCS[C@@H]1CC[C@H]([NH+](C)CC[C@H]2CCC[N@H+]2C)C1 ZINC000246674261 276399162 /nfs/dbraw/zinc/39/91/62/276399162.db2.gz FQEXQGKETLWJOH-QLFBSQMISA-N 2 1 270.486 3.077 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000430694970 276471936 /nfs/dbraw/zinc/47/19/36/276471936.db2.gz FYXCZKQFWSBFDX-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCC1 ZINC000449220670 276636148 /nfs/dbraw/zinc/63/61/48/276636148.db2.gz DTACFJZSZZCFNO-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000507505202 276681007 /nfs/dbraw/zinc/68/10/07/276681007.db2.gz CSFOVMUGVBMANI-INIZCTEOSA-N 2 1 289.467 3.417 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000349194150 277033040 /nfs/dbraw/zinc/03/30/40/277033040.db2.gz RFICZPLGTPMYHX-NVXWUHKLSA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3cc[nH]c32)CC1 ZINC000335680742 277038371 /nfs/dbraw/zinc/03/83/71/277038371.db2.gz CDZYDTSLWZXCQP-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCc2ccccc2C1 ZINC000346171366 277045818 /nfs/dbraw/zinc/04/58/18/277045818.db2.gz RRHNMMPLAXIOOO-SFHVURJKSA-N 2 1 272.436 3.309 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCc2ccccc2C1 ZINC000346171366 277045819 /nfs/dbraw/zinc/04/58/19/277045819.db2.gz RRHNMMPLAXIOOO-SFHVURJKSA-N 2 1 272.436 3.309 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCc2ccccc2C1 ZINC000346171366 277045821 /nfs/dbraw/zinc/04/58/21/277045821.db2.gz RRHNMMPLAXIOOO-SFHVURJKSA-N 2 1 272.436 3.309 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccc(F)cc43)CC[C@H]21 ZINC000248175024 277069268 /nfs/dbraw/zinc/06/92/68/277069268.db2.gz VLLAHMGASOPADK-ZTFGCOKTSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@H]21 ZINC000248175024 277069270 /nfs/dbraw/zinc/06/92/70/277069270.db2.gz VLLAHMGASOPADK-ZTFGCOKTSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@H]21 ZINC000248175024 277069272 /nfs/dbraw/zinc/06/92/72/277069272.db2.gz VLLAHMGASOPADK-ZTFGCOKTSA-N 2 1 288.410 3.229 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341990665 277077548 /nfs/dbraw/zinc/07/75/48/277077548.db2.gz NRUITUFLGZRIRV-ZDUSSCGKSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341990665 277077549 /nfs/dbraw/zinc/07/75/49/277077549.db2.gz NRUITUFLGZRIRV-ZDUSSCGKSA-N 2 1 278.362 3.135 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332120 277139086 /nfs/dbraw/zinc/13/90/86/277139086.db2.gz RIFMUUMRVMXXPG-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP COCC(C)(C)C[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000494384288 277196545 /nfs/dbraw/zinc/19/65/45/277196545.db2.gz IQPZHXZIEYLCIZ-HUUCEWRRSA-N 2 1 284.488 3.005 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000337378019 277237332 /nfs/dbraw/zinc/23/73/32/277237332.db2.gz BSHMYFYGRYKYQI-IKGGRYGDSA-N 2 1 282.472 3.046 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000395132730 288006118 /nfs/dbraw/zinc/00/61/18/288006118.db2.gz ZLBDOGPZWJXCON-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000395132730 288006119 /nfs/dbraw/zinc/00/61/19/288006119.db2.gz ZLBDOGPZWJXCON-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000395132731 288006067 /nfs/dbraw/zinc/00/60/67/288006067.db2.gz ZLBDOGPZWJXCON-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000395132731 288006068 /nfs/dbraw/zinc/00/60/68/288006068.db2.gz ZLBDOGPZWJXCON-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP CSCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000075713679 278128462 /nfs/dbraw/zinc/12/84/62/278128462.db2.gz OOENPNKYGHTPTN-INIZCTEOSA-N 2 1 284.513 3.328 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000163474370 278168331 /nfs/dbraw/zinc/16/83/31/278168331.db2.gz WKWAESJTNIHCIG-JHJVBQTASA-N 2 1 278.362 3.324 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000397409181 288023299 /nfs/dbraw/zinc/02/32/99/288023299.db2.gz VDQOWMPOPVICLN-NFAWXSAZSA-N 2 1 272.392 3.238 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000158892005 278243513 /nfs/dbraw/zinc/24/35/13/278243513.db2.gz INAJIJHBFYJATO-SOUVJXGZSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000397637634 288026025 /nfs/dbraw/zinc/02/60/25/288026025.db2.gz QCONEZODXKJTSK-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414839458 278296877 /nfs/dbraw/zinc/29/68/77/278296877.db2.gz GABVUKLJCKDSFW-QWRGUYRKSA-N 2 1 287.234 3.266 20 0 CGADMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC1(C)C ZINC000397836777 288031882 /nfs/dbraw/zinc/03/18/82/288031882.db2.gz SRTLVSJPOPCJAX-GJZGRUSLSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261563448 278312644 /nfs/dbraw/zinc/31/26/44/278312644.db2.gz GWJWPKCMTAWBST-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261563448 278312645 /nfs/dbraw/zinc/31/26/45/278312645.db2.gz GWJWPKCMTAWBST-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422903349 288062644 /nfs/dbraw/zinc/06/26/44/288062644.db2.gz OIHJOHJJZOFVNQ-ROUUACIJSA-N 2 1 282.387 3.320 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453239161 288079568 /nfs/dbraw/zinc/07/95/68/288079568.db2.gz SEQNTURVADNJQR-CSMYWGQOSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453239161 288079569 /nfs/dbraw/zinc/07/95/69/288079569.db2.gz SEQNTURVADNJQR-CSMYWGQOSA-N 2 1 276.399 3.133 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CCC1 ZINC000453106364 288075458 /nfs/dbraw/zinc/07/54/58/288075458.db2.gz IXLVGFLFIAUXNJ-XJKSGUPXSA-N 2 1 263.429 3.386 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000459388757 288087995 /nfs/dbraw/zinc/08/79/95/288087995.db2.gz PRHVQYRCUWEJMS-UHFFFAOYSA-N 2 1 269.392 3.022 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316674 279040367 /nfs/dbraw/zinc/04/03/67/279040367.db2.gz RPOUDGRFPKORLR-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316674 279040368 /nfs/dbraw/zinc/04/03/68/279040368.db2.gz RPOUDGRFPKORLR-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316674 279040369 /nfs/dbraw/zinc/04/03/69/279040369.db2.gz RPOUDGRFPKORLR-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP C[C@@H]1SCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000420312727 279072692 /nfs/dbraw/zinc/07/26/92/279072692.db2.gz XCCCSNYOBUDJMF-ZOBUZTSGSA-N 2 1 290.476 3.165 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000348267614 279077874 /nfs/dbraw/zinc/07/78/74/279077874.db2.gz BNHHAFAVTWVWPP-AGIUHOORSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000348267614 279077876 /nfs/dbraw/zinc/07/78/76/279077876.db2.gz BNHHAFAVTWVWPP-AGIUHOORSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000348267614 279077877 /nfs/dbraw/zinc/07/78/77/279077877.db2.gz BNHHAFAVTWVWPP-AGIUHOORSA-N 2 1 278.362 3.134 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415035131 279094194 /nfs/dbraw/zinc/09/41/94/279094194.db2.gz DKNKMVYMPSYJEQ-ARFHVFGLSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000360253373 279262308 /nfs/dbraw/zinc/26/23/08/279262308.db2.gz SFDIQBSWURGIQD-OFQRWUPVSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414653809 279320401 /nfs/dbraw/zinc/32/04/01/279320401.db2.gz IJAVNKCMUFJXPD-VXGBXAGGSA-N 2 1 286.341 3.090 20 0 CGADMP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000448069058 279346368 /nfs/dbraw/zinc/34/63/68/279346368.db2.gz CUWIHWTYPWHLRP-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000448069058 279346370 /nfs/dbraw/zinc/34/63/70/279346370.db2.gz CUWIHWTYPWHLRP-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000472598930 279380827 /nfs/dbraw/zinc/38/08/27/279380827.db2.gz MSFSGMUDWARNJD-QGZVFWFLSA-N 2 1 286.463 3.425 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342084639 288155642 /nfs/dbraw/zinc/15/56/42/288155642.db2.gz MGIBGPYKXKTELY-ASTDHERZSA-N 2 1 294.389 3.475 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000527233003 288158998 /nfs/dbraw/zinc/15/89/98/288158998.db2.gz WQDZBVXNVOCFLK-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000527325346 288166625 /nfs/dbraw/zinc/16/66/25/288166625.db2.gz XXEDOHMBGNMJHY-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000527325346 288166629 /nfs/dbraw/zinc/16/66/29/288166629.db2.gz XXEDOHMBGNMJHY-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000527325346 288166633 /nfs/dbraw/zinc/16/66/33/288166633.db2.gz XXEDOHMBGNMJHY-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1Cl ZINC000422742435 279913458 /nfs/dbraw/zinc/91/34/58/279913458.db2.gz GNHPXKVESQEBPV-IAQYHMDHSA-N 2 1 266.816 3.235 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(F)c1 ZINC000423494250 280197067 /nfs/dbraw/zinc/19/70/67/280197067.db2.gz AIYKFRSPSLEBEE-HZPDHXFCSA-N 2 1 264.388 3.384 20 0 CGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCC1)CCCO2 ZINC000423339821 280628342 /nfs/dbraw/zinc/62/83/42/280628342.db2.gz WZBGDZISEQCYNS-INIZCTEOSA-N 2 1 288.435 3.495 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584609 288265688 /nfs/dbraw/zinc/26/56/88/288265688.db2.gz DFCNZEHWLINEEM-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584609 288265691 /nfs/dbraw/zinc/26/56/91/288265691.db2.gz DFCNZEHWLINEEM-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584609 288265692 /nfs/dbraw/zinc/26/56/92/288265692.db2.gz DFCNZEHWLINEEM-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000261837133 281000721 /nfs/dbraw/zinc/00/07/21/281000721.db2.gz RRTOJWKKNCFHSV-IRXDYDNUSA-N 2 1 272.436 3.092 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429534768 281059240 /nfs/dbraw/zinc/05/92/40/281059240.db2.gz FZACLNWWSWRJLP-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429534768 281059244 /nfs/dbraw/zinc/05/92/44/281059244.db2.gz FZACLNWWSWRJLP-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCCC1)CCCO2 ZINC000423178548 281091489 /nfs/dbraw/zinc/09/14/89/281091489.db2.gz KZKVKYORKUUNAI-INIZCTEOSA-N 2 1 288.435 3.460 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420323388 281281299 /nfs/dbraw/zinc/28/12/99/281281299.db2.gz TZNMGTQJYSNUPW-ZFWWWQNUSA-N 2 1 278.465 3.447 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548885393 289028008 /nfs/dbraw/zinc/02/80/08/289028008.db2.gz VLCAPEQMTSEVEZ-YYIAUSFCSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3C=CCCCCC3)C2)C1 ZINC000549840877 289055579 /nfs/dbraw/zinc/05/55/79/289055579.db2.gz PRVARDVCKFPLOP-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550619063 289079159 /nfs/dbraw/zinc/07/91/59/289079159.db2.gz JZECHRISUPETOI-SIXLDLHFSA-N 2 1 258.409 3.068 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550619063 289079161 /nfs/dbraw/zinc/07/91/61/289079161.db2.gz JZECHRISUPETOI-SIXLDLHFSA-N 2 1 258.409 3.068 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000552062649 289157528 /nfs/dbraw/zinc/15/75/28/289157528.db2.gz BSIVTDUEMYRWLK-BZUAXINKSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1(C)C ZINC000552067035 289158057 /nfs/dbraw/zinc/15/80/57/289158057.db2.gz YZMARPZGEFSZSZ-JZAWBGDQSA-N 2 1 294.483 3.041 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@H]2CCC[C@@H]21 ZINC000552246603 289175104 /nfs/dbraw/zinc/17/51/04/289175104.db2.gz ZGSWODAUPJMADX-RLCCDNCMSA-N 2 1 296.817 3.442 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@H]2CCC[C@@H]21 ZINC000552246603 289175106 /nfs/dbraw/zinc/17/51/06/289175106.db2.gz ZGSWODAUPJMADX-RLCCDNCMSA-N 2 1 296.817 3.442 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000553214443 289213449 /nfs/dbraw/zinc/21/34/49/289213449.db2.gz QNONLVVMCUFYDE-AWEZNQCLSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554049836 289253624 /nfs/dbraw/zinc/25/36/24/289253624.db2.gz CVSCYVGOVUIRAY-CVEARBPZSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554049836 289253626 /nfs/dbraw/zinc/25/36/26/289253626.db2.gz CVSCYVGOVUIRAY-CVEARBPZSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000554875169 289316046 /nfs/dbraw/zinc/31/60/46/289316046.db2.gz VHGZTHFREHOBLA-DJIMGWMZSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3C=CCCCCC3)CC[C@H]21 ZINC000555379294 289342593 /nfs/dbraw/zinc/34/25/93/289342593.db2.gz AUZODJFXMRZDNQ-BRWVUGGUSA-N 2 1 262.441 3.291 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3C=CCCCCC3)CC[C@H]21 ZINC000555379294 289342596 /nfs/dbraw/zinc/34/25/96/289342596.db2.gz AUZODJFXMRZDNQ-BRWVUGGUSA-N 2 1 262.441 3.291 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3C=CCCCCC3)CC[C@H]21 ZINC000555379294 289342600 /nfs/dbraw/zinc/34/26/00/289342600.db2.gz AUZODJFXMRZDNQ-BRWVUGGUSA-N 2 1 262.441 3.291 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3C=CCCCCC3)CC[C@H]21 ZINC000555379294 289342602 /nfs/dbraw/zinc/34/26/02/289342602.db2.gz AUZODJFXMRZDNQ-BRWVUGGUSA-N 2 1 262.441 3.291 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000556582481 289397763 /nfs/dbraw/zinc/39/77/63/289397763.db2.gz AIKZOULWASCLQV-APWZRJJASA-N 2 1 286.463 3.248 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC12CCC2 ZINC000337458802 289583287 /nfs/dbraw/zinc/58/32/87/289583287.db2.gz JTHDMWBCPUMPQC-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC1(C)C ZINC000342623621 290386697 /nfs/dbraw/zinc/38/66/97/290386697.db2.gz HNZOVKLRUBDFNM-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086887277 290477156 /nfs/dbraw/zinc/47/71/56/290477156.db2.gz GEGLUIAPBQYCED-UONOGXRCSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000174379784 290509703 /nfs/dbraw/zinc/50/97/03/290509703.db2.gz KATOALFFQBPYNB-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414871754 294115680 /nfs/dbraw/zinc/11/56/80/294115680.db2.gz VLSSHGQHAWBYRH-IVMMDQJWSA-N 2 1 278.827 3.318 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000226324862 295237979 /nfs/dbraw/zinc/23/79/79/295237979.db2.gz TYOZNMWHNLTOKC-WMLDXEAASA-N 2 1 258.409 3.125 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000415066989 295264517 /nfs/dbraw/zinc/26/45/17/295264517.db2.gz OTCNEXXRKHNXFD-AGIUHOORSA-N 2 1 278.362 3.215 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)CCCO2 ZINC000423382298 301449021 /nfs/dbraw/zinc/44/90/21/301449021.db2.gz OVCOJJRIGYHOKS-YQQAZPJKSA-N 2 1 288.435 3.247 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000387876614 327816688 /nfs/dbraw/zinc/81/66/88/327816688.db2.gz WHQQPYRBPKXINM-SJORKVTESA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000388756637 328300447 /nfs/dbraw/zinc/30/04/47/328300447.db2.gz RXJVZUYIFLFTRN-TUVASFSCSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1F ZINC000314477860 321959623 /nfs/dbraw/zinc/95/96/23/321959623.db2.gz AYKZJBSEDJQKNE-CYBMUJFWSA-N 2 1 275.371 3.151 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000563828741 322012122 /nfs/dbraw/zinc/01/21/22/322012122.db2.gz DJKRXGKDPZMMHR-IVKSPPNPSA-N 2 1 284.447 3.428 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000563944447 322015993 /nfs/dbraw/zinc/01/59/93/322015993.db2.gz KAPCRVZJIKMDIN-BBRMVZONSA-N 2 1 278.465 3.275 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000565357368 322074655 /nfs/dbraw/zinc/07/46/55/322074655.db2.gz KGIBQBJQDLHRCH-AWEZNQCLSA-N 2 1 282.428 3.340 20 0 CGADMP CC1(C)CCC[C@@H](C[NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000565880107 322095485 /nfs/dbraw/zinc/09/54/85/322095485.db2.gz HQSPFYXWTVWHJX-MRXNPFEDSA-N 2 1 289.467 3.367 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(C2CCCC2)c1 ZINC000566089063 322103546 /nfs/dbraw/zinc/10/35/46/322103546.db2.gz IMEWMXCOUGILHI-CQSZACIVSA-N 2 1 290.455 3.310 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000566412237 322120390 /nfs/dbraw/zinc/12/03/90/322120390.db2.gz STPWUJMVXCZHCT-GDBMZVCRSA-N 2 1 288.435 3.320 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000566954840 322144438 /nfs/dbraw/zinc/14/44/38/322144438.db2.gz GBDBMKXAOCVQKW-VQFNDLOPSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)c(F)c1 ZINC000567652888 322172034 /nfs/dbraw/zinc/17/20/34/322172034.db2.gz GEOSTXWTTVTCKE-JTQLQIEISA-N 2 1 270.779 3.272 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000567724003 322174747 /nfs/dbraw/zinc/17/47/47/322174747.db2.gz NUHUOANEBDLDND-GJZGRUSLSA-N 2 1 258.365 3.182 20 0 CGADMP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)c1 ZINC000568368463 322206214 /nfs/dbraw/zinc/20/62/14/322206214.db2.gz PXAPXHPJVVQRJM-SJORKVTESA-N 2 1 290.451 3.076 20 0 CGADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)c1 ZINC000568368463 322206216 /nfs/dbraw/zinc/20/62/16/322206216.db2.gz PXAPXHPJVVQRJM-SJORKVTESA-N 2 1 290.451 3.076 20 0 CGADMP CC(C)[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000569235723 322240153 /nfs/dbraw/zinc/24/01/53/322240153.db2.gz XIWTYNRMJONIDM-QGZVFWFLSA-N 2 1 271.408 3.340 20 0 CGADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCc1cncn1C ZINC000569706734 322254758 /nfs/dbraw/zinc/25/47/58/322254758.db2.gz SBEYBQNDYGIOIG-HOCLYGCPSA-N 2 1 263.429 3.253 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569927778 322260865 /nfs/dbraw/zinc/26/08/65/322260865.db2.gz LBWOWJWCDUXKKE-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569927778 322260867 /nfs/dbraw/zinc/26/08/67/322260867.db2.gz LBWOWJWCDUXKKE-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968854 322261657 /nfs/dbraw/zinc/26/16/57/322261657.db2.gz MYUHHCDRCGJEQZ-MLGOLLRUSA-N 2 1 290.382 3.344 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968854 322261659 /nfs/dbraw/zinc/26/16/59/322261659.db2.gz MYUHHCDRCGJEQZ-MLGOLLRUSA-N 2 1 290.382 3.344 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968854 322261661 /nfs/dbraw/zinc/26/16/61/322261661.db2.gz MYUHHCDRCGJEQZ-MLGOLLRUSA-N 2 1 290.382 3.344 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968854 322261662 /nfs/dbraw/zinc/26/16/62/322261662.db2.gz MYUHHCDRCGJEQZ-MLGOLLRUSA-N 2 1 290.382 3.344 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000571033836 322288025 /nfs/dbraw/zinc/28/80/25/322288025.db2.gz AGQZECQORYMRIC-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000571033836 322288026 /nfs/dbraw/zinc/28/80/26/322288026.db2.gz AGQZECQORYMRIC-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP COc1cccc2c1CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000572234652 322326454 /nfs/dbraw/zinc/32/64/54/322326454.db2.gz VNTXYLWEJGWCHQ-SJORKVTESA-N 2 1 288.435 3.180 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CC[C@H]1C(C)(C)C)C1CCCC1 ZINC000572433040 322337483 /nfs/dbraw/zinc/33/74/83/322337483.db2.gz DJEPMASGFIEBEW-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@H]1C(C)(C)C)C1CCCC1 ZINC000572433040 322337485 /nfs/dbraw/zinc/33/74/85/322337485.db2.gz DJEPMASGFIEBEW-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572644187 322347688 /nfs/dbraw/zinc/34/76/88/322347688.db2.gz WWNXWHCYWGBHAZ-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572644187 322347690 /nfs/dbraw/zinc/34/76/90/322347690.db2.gz WWNXWHCYWGBHAZ-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000573249311 322378152 /nfs/dbraw/zinc/37/81/52/322378152.db2.gz DKJPFOFGHXYZAA-JYJNAYRXSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000582753744 329144378 /nfs/dbraw/zinc/14/43/78/329144378.db2.gz FKPLKOWIZPWUSJ-HOTGVXAUSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000582753744 329144379 /nfs/dbraw/zinc/14/43/79/329144379.db2.gz FKPLKOWIZPWUSJ-HOTGVXAUSA-N 2 1 262.441 3.244 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000583746904 329472213 /nfs/dbraw/zinc/47/22/13/329472213.db2.gz PVNMCHGVMNKPJJ-CQSZACIVSA-N 2 1 278.444 3.037 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCCCC2)[C@H](C)C1 ZINC000174770046 335165928 /nfs/dbraw/zinc/16/59/28/335165928.db2.gz HRZYMHMKZQYLQW-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCCCC2)[C@H](C)C1 ZINC000174770046 335165929 /nfs/dbraw/zinc/16/59/29/335165929.db2.gz HRZYMHMKZQYLQW-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCCCC2)[C@H](C)C1 ZINC000174770046 335165931 /nfs/dbraw/zinc/16/59/31/335165931.db2.gz HRZYMHMKZQYLQW-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000576527338 335215383 /nfs/dbraw/zinc/21/53/83/335215383.db2.gz XSTYDOCCDGJWKS-VDHUWJSZSA-N 2 1 272.436 3.308 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000577562252 335368680 /nfs/dbraw/zinc/36/86/80/335368680.db2.gz WKUFFNQAGYMOEU-QGZVFWFLSA-N 2 1 290.426 3.298 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000184499925 335927479 /nfs/dbraw/zinc/92/74/79/335927479.db2.gz REHORRGGTYKMPE-HZPDHXFCSA-N 2 1 292.471 3.379 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000385108946 336138889 /nfs/dbraw/zinc/13/88/89/336138889.db2.gz COPCDSFKALDWLN-NFAWXSAZSA-N 2 1 252.446 3.131 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000385808190 336157195 /nfs/dbraw/zinc/15/71/95/336157195.db2.gz HTRKCYMYNJYDQN-QDIHITRGSA-N 2 1 282.497 3.125 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000385808190 336157196 /nfs/dbraw/zinc/15/71/96/336157196.db2.gz HTRKCYMYNJYDQN-QDIHITRGSA-N 2 1 282.497 3.125 20 0 CGADMP C[C@@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424379369 533807639 /nfs/dbraw/zinc/80/76/39/533807639.db2.gz ONRZCGGNVMODNX-GJZGRUSLSA-N 2 1 290.426 3.393 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2ccccc2n1 ZINC000423515507 533852512 /nfs/dbraw/zinc/85/25/12/533852512.db2.gz ABXZVBZGCNCIST-ZDUSSCGKSA-N 2 1 269.392 3.028 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000358054991 533900053 /nfs/dbraw/zinc/90/00/53/533900053.db2.gz BKKWYZVGWNRHNB-WMLDXEAASA-N 2 1 288.435 3.048 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000358054991 533900062 /nfs/dbraw/zinc/90/00/62/533900062.db2.gz BKKWYZVGWNRHNB-WMLDXEAASA-N 2 1 288.435 3.048 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000149220872 520624425 /nfs/dbraw/zinc/62/44/25/520624425.db2.gz ZZCNJKFCYDUFNC-INIZCTEOSA-N 2 1 264.388 3.135 20 0 CGADMP c1csc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192926023 534522227 /nfs/dbraw/zinc/52/22/27/534522227.db2.gz QZGXTPLRAGSLJZ-MRXNPFEDSA-N 2 1 286.444 3.360 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000156191689 522754604 /nfs/dbraw/zinc/75/46/04/522754604.db2.gz YLODYVFVUFLISR-KCXAZCMYSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000156191689 522754611 /nfs/dbraw/zinc/75/46/11/522754611.db2.gz YLODYVFVUFLISR-KCXAZCMYSA-N 2 1 264.388 3.349 20 0 CGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000449127259 534696521 /nfs/dbraw/zinc/69/65/21/534696521.db2.gz OTRSUUFTULPPLA-KRWDZBQOSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000449127259 534696525 /nfs/dbraw/zinc/69/65/25/534696525.db2.gz OTRSUUFTULPPLA-KRWDZBQOSA-N 2 1 272.436 3.144 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000049551956 524164032 /nfs/dbraw/zinc/16/40/32/524164032.db2.gz DNTIOXJBZRDLFQ-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000049553228 524167776 /nfs/dbraw/zinc/16/77/76/524167776.db2.gz HQILNIFYQRMVGS-NEPJUHHUSA-N 2 1 286.366 3.279 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000088164120 524737066 /nfs/dbraw/zinc/73/70/66/524737066.db2.gz LEJHAIAPFCOURR-MIGBEJBISA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000157807799 524806854 /nfs/dbraw/zinc/80/68/54/524806854.db2.gz SEKYREFMTDWEEG-OKKATSDQSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000157807799 524806863 /nfs/dbraw/zinc/80/68/63/524806863.db2.gz SEKYREFMTDWEEG-OKKATSDQSA-N 2 1 276.399 3.144 20 0 CGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cc[nH]c3)C2)c1 ZINC000086252295 526581458 /nfs/dbraw/zinc/58/14/58/526581458.db2.gz KVDKVHGSFOKTEV-OAHLLOKOSA-N 2 1 289.448 3.078 20 0 CGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cc[nH]c3)C2)c1 ZINC000086252295 526581464 /nfs/dbraw/zinc/58/14/64/526581464.db2.gz KVDKVHGSFOKTEV-OAHLLOKOSA-N 2 1 289.448 3.078 20 0 CGADMP CC(C)(C)[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2ccccc2o1 ZINC000423445421 526710853 /nfs/dbraw/zinc/71/08/53/526710853.db2.gz XUBUNERVRJHSPJ-OSRSDYAFSA-N 2 1 284.403 3.327 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000161551685 527398283 /nfs/dbraw/zinc/39/82/83/527398283.db2.gz WGFJKQSKONJXAP-SFHVURJKSA-N 2 1 298.434 3.158 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000161551685 527398286 /nfs/dbraw/zinc/39/82/86/527398286.db2.gz WGFJKQSKONJXAP-SFHVURJKSA-N 2 1 298.434 3.158 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000290485300 527404102 /nfs/dbraw/zinc/40/41/02/527404102.db2.gz VOQQSRTULUEYQQ-UHFFFAOYSA-N 2 1 287.407 3.084 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1Cl ZINC000049508694 527433221 /nfs/dbraw/zinc/43/32/21/527433221.db2.gz ZUXDOQKPIYWWPN-LLVKDONJSA-N 2 1 263.772 3.196 20 0 CGADMP C([NH2+]C1CCSCC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366663535 527489893 /nfs/dbraw/zinc/48/98/93/527489893.db2.gz HKBJTZGWEHUQHG-INIZCTEOSA-N 2 1 282.497 3.269 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000449151576 527826615 /nfs/dbraw/zinc/82/66/15/527826615.db2.gz AQXPCSRAJYGINW-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(C)c2)[C@@H](C)C1 ZINC000449031451 527833286 /nfs/dbraw/zinc/83/32/86/527833286.db2.gz VLHZMWRCZZMLNN-WMZOPIPTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(C)c2)[C@@H](C)C1 ZINC000449031451 527833289 /nfs/dbraw/zinc/83/32/89/527833289.db2.gz VLHZMWRCZZMLNN-WMZOPIPTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(C)c2)[C@@H](C)C1 ZINC000449031451 527833295 /nfs/dbraw/zinc/83/32/95/527833295.db2.gz VLHZMWRCZZMLNN-WMZOPIPTSA-N 2 1 274.452 3.200 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C12CCCCC2 ZINC000423494255 527948204 /nfs/dbraw/zinc/94/82/04/527948204.db2.gz AJGRZSUNPDYGKW-YESZJQIVSA-N 2 1 294.483 3.221 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449203567 527975309 /nfs/dbraw/zinc/97/53/09/527975309.db2.gz HFOMAROBPZCXDW-WBVHZDCISA-N 2 1 278.440 3.168 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423229260 528335241 /nfs/dbraw/zinc/33/52/41/528335241.db2.gz ANCVEEOABNQBJF-HIFRSBDPSA-N 2 1 266.816 3.175 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367614226 528463273 /nfs/dbraw/zinc/46/32/73/528463273.db2.gz FWHJNAATAYNGLM-RCCFBDPRSA-N 2 1 288.435 3.048 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423408933 528475512 /nfs/dbraw/zinc/47/55/12/528475512.db2.gz YEJWAWVAROQDDY-XUJVJEKNSA-N 2 1 296.842 3.387 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423408926 528476074 /nfs/dbraw/zinc/47/60/74/528476074.db2.gz YEJWAWVAROQDDY-HUBLWGQQSA-N 2 1 296.842 3.387 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423312900 528516220 /nfs/dbraw/zinc/51/62/20/528516220.db2.gz STCGGQTZQRNMDG-QWHCGFSZSA-N 2 1 268.832 3.421 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424368726 528597005 /nfs/dbraw/zinc/59/70/05/528597005.db2.gz AGUKUNQHCDZHPS-DAXOMENPSA-N 2 1 262.397 3.006 20 0 CGADMP CCCc1csc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000424369401 528661389 /nfs/dbraw/zinc/66/13/89/528661389.db2.gz BKSBBIORXXCIEC-CYBMUJFWSA-N 2 1 293.480 3.060 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000423441956 528690942 /nfs/dbraw/zinc/69/09/42/528690942.db2.gz BLOPYADAFCNIFB-ZFWWWQNUSA-N 2 1 264.413 3.253 20 0 CGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CC3([NH3+])CCC3)oc21 ZINC000423317156 528697449 /nfs/dbraw/zinc/69/74/49/528697449.db2.gz CLDVCIOZYQWFDE-GFCCVEGCSA-N 2 1 288.391 3.364 20 0 CGADMP CCOCC[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358738092 528726930 /nfs/dbraw/zinc/72/69/30/528726930.db2.gz RTZBQOHKGPWEMD-UHFFFAOYSA-N 2 1 284.488 3.103 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423304425 528822050 /nfs/dbraw/zinc/82/20/50/528822050.db2.gz YUAPJCFLCOOPLP-AAEUAGOBSA-N 2 1 277.437 3.464 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423399197 528948877 /nfs/dbraw/zinc/94/88/77/528948877.db2.gz WCYTTZHELFKESG-QLFBSQMISA-N 2 1 270.436 3.273 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000423302239 528957095 /nfs/dbraw/zinc/95/70/95/528957095.db2.gz VBGNPILGTILASC-DGCLKSJQSA-N 2 1 268.376 3.002 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423297580 528957416 /nfs/dbraw/zinc/95/74/16/528957416.db2.gz KXCAVBKRMHXHSP-IUODEOHRSA-N 2 1 284.394 3.393 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000423298228 528957814 /nfs/dbraw/zinc/95/78/14/528957814.db2.gz NRXUMWSSOBQLJE-HUUCEWRRSA-N 2 1 292.423 3.016 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC1 ZINC000436304067 528988303 /nfs/dbraw/zinc/98/83/03/528988303.db2.gz FEFHXLDYPIVPPQ-CTYIDZIISA-N 2 1 276.399 3.146 20 0 CGADMP CCCCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423505761 529028113 /nfs/dbraw/zinc/02/81/13/529028113.db2.gz GQBFIODPYOZKRG-QAPCUYQASA-N 2 1 290.451 3.058 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423316486 529178492 /nfs/dbraw/zinc/17/84/92/529178492.db2.gz JQQSTJYYXXIFHQ-UONOGXRCSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000369465799 529203977 /nfs/dbraw/zinc/20/39/77/529203977.db2.gz VSCHTBQKEZSJOK-IUODEOHRSA-N 2 1 291.345 3.217 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc(OC)c1 ZINC000423270859 529206429 /nfs/dbraw/zinc/20/64/29/529206429.db2.gz XDJSYFDESNWGFR-GOEBONIOSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000226313136 535190970 /nfs/dbraw/zinc/19/09/70/535190970.db2.gz QAGOSMIQLLXXQS-QGZVFWFLSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@H](C)[C@H](C)[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000125136254 535933795 /nfs/dbraw/zinc/93/37/95/535933795.db2.gz CZTCKEJVOTVPLG-KBPBESRZSA-N 2 1 263.429 3.481 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000125136254 535933799 /nfs/dbraw/zinc/93/37/99/535933799.db2.gz CZTCKEJVOTVPLG-KBPBESRZSA-N 2 1 263.429 3.481 20 0 CGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000459749768 535947891 /nfs/dbraw/zinc/94/78/91/535947891.db2.gz YRSWGQAGPGYNLK-XWIAVFTESA-N 2 1 299.418 3.399 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000459581291 536381335 /nfs/dbraw/zinc/38/13/35/536381335.db2.gz BTXKDKLPOXVAQO-GBESFXJTSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000459581291 536381338 /nfs/dbraw/zinc/38/13/38/536381338.db2.gz BTXKDKLPOXVAQO-GBESFXJTSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000459581291 536381341 /nfs/dbraw/zinc/38/13/41/536381341.db2.gz BTXKDKLPOXVAQO-GBESFXJTSA-N 2 1 284.447 3.208 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C)cc2)C[C@H]1C ZINC000740882109 571891267 /nfs/dbraw/zinc/89/12/67/571891267.db2.gz GPOSIAUJKRWGKM-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C)cc2)C[C@H]1C ZINC000740882109 571891268 /nfs/dbraw/zinc/89/12/68/571891268.db2.gz GPOSIAUJKRWGKM-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C)cc2)C[C@H]1C ZINC000740882109 571891272 /nfs/dbraw/zinc/89/12/72/571891272.db2.gz GPOSIAUJKRWGKM-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP Cc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000189601843 572353156 /nfs/dbraw/zinc/35/31/56/572353156.db2.gz SDDREWHXLUFASJ-UKRRQHHQSA-N 2 1 288.439 3.158 20 0 CGADMP Cc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000189601843 572353160 /nfs/dbraw/zinc/35/31/60/572353160.db2.gz SDDREWHXLUFASJ-UKRRQHHQSA-N 2 1 288.439 3.158 20 0 CGADMP Cc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000189601843 572353162 /nfs/dbraw/zinc/35/31/62/572353162.db2.gz SDDREWHXLUFASJ-UKRRQHHQSA-N 2 1 288.439 3.158 20 0 CGADMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397956268 572494105 /nfs/dbraw/zinc/49/41/05/572494105.db2.gz BSPMVQBLTDUTQK-PIXXYMSQSA-N 2 1 258.409 3.063 20 0 CGADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[Si](C)(C)C ZINC000743874620 572694449 /nfs/dbraw/zinc/69/44/49/572694449.db2.gz XISZINOVEBGLMK-QGZVFWFLSA-N 2 1 290.527 3.318 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[Si](C)(C)C ZINC000743874620 572694451 /nfs/dbraw/zinc/69/44/51/572694451.db2.gz XISZINOVEBGLMK-QGZVFWFLSA-N 2 1 290.527 3.318 20 0 CGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[Si](C)(C)C ZINC000743874620 572694456 /nfs/dbraw/zinc/69/44/56/572694456.db2.gz XISZINOVEBGLMK-QGZVFWFLSA-N 2 1 290.527 3.318 20 0 CGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[Si](C)(C)C ZINC000743874620 572694458 /nfs/dbraw/zinc/69/44/58/572694458.db2.gz XISZINOVEBGLMK-QGZVFWFLSA-N 2 1 290.527 3.318 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166429956 572817193 /nfs/dbraw/zinc/81/71/93/572817193.db2.gz VBFYZUNPSVOTBA-IAGOWNOFSA-N 2 1 286.463 3.489 20 0 CGADMP COc1cccc2cc(C[NH2+]CC(C)(C)C[NH+](C)C)oc21 ZINC000034995577 617611797 /nfs/dbraw/zinc/61/17/97/617611797.db2.gz DZHBLMKYRHOCKX-UHFFFAOYSA-N 2 1 290.407 3.119 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000050245237 618083053 /nfs/dbraw/zinc/08/30/53/618083053.db2.gz OSDDXHLQZSNOCK-MRXNPFEDSA-N 2 1 282.387 3.260 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891917402 618382911 /nfs/dbraw/zinc/38/29/11/618382911.db2.gz RYPJEYHSVBUMRS-KRWDZBQOSA-N 2 1 288.435 3.174 20 0 CGADMP CSCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000892105752 618535236 /nfs/dbraw/zinc/53/52/36/618535236.db2.gz QHNSSPDSFUPQFK-PBHICJAKSA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000892105752 618535245 /nfs/dbraw/zinc/53/52/45/618535245.db2.gz QHNSSPDSFUPQFK-PBHICJAKSA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000892105752 618535250 /nfs/dbraw/zinc/53/52/50/618535250.db2.gz QHNSSPDSFUPQFK-PBHICJAKSA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000892105752 618535259 /nfs/dbraw/zinc/53/52/59/618535259.db2.gz QHNSSPDSFUPQFK-PBHICJAKSA-N 2 1 292.492 3.464 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000892510828 618825014 /nfs/dbraw/zinc/82/50/14/618825014.db2.gz VPAXMGOPTQROKB-RHSMWYFYSA-N 2 1 283.419 3.147 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccns1 ZINC000924569496 618851857 /nfs/dbraw/zinc/85/18/57/618851857.db2.gz IPYSHUJHZXKZCM-JTQLQIEISA-N 2 1 267.442 3.103 20 0 CGADMP CCc1onc(C)c1CNC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000893200590 619026789 /nfs/dbraw/zinc/02/67/89/619026789.db2.gz QEEFPIMWBSHYSK-HNNXBMFYSA-N 2 1 293.455 3.003 20 0 CGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000893200590 619026791 /nfs/dbraw/zinc/02/67/91/619026791.db2.gz QEEFPIMWBSHYSK-HNNXBMFYSA-N 2 1 293.455 3.003 20 0 CGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000893200590 619026793 /nfs/dbraw/zinc/02/67/93/619026793.db2.gz QEEFPIMWBSHYSK-HNNXBMFYSA-N 2 1 293.455 3.003 20 0 CGADMP COC1CCC(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000893201000 619026891 /nfs/dbraw/zinc/02/68/91/619026891.db2.gz SAOQYTLGYPKOEZ-LXPRWKDFSA-N 2 1 296.499 3.149 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(CF)cc2)CC1 ZINC000777593815 619161079 /nfs/dbraw/zinc/16/10/79/619161079.db2.gz AADBRWPEBKZDRE-UHFFFAOYSA-N 2 1 264.388 3.072 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(CF)cc2)CC1 ZINC000777593815 619161080 /nfs/dbraw/zinc/16/10/80/619161080.db2.gz AADBRWPEBKZDRE-UHFFFAOYSA-N 2 1 264.388 3.072 20 0 CGADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000925737601 619211374 /nfs/dbraw/zinc/21/13/74/619211374.db2.gz RTZWCXDQXXNNMZ-IAGOWNOFSA-N 2 1 288.435 3.322 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)n1 ZINC000925765128 619225845 /nfs/dbraw/zinc/22/58/45/619225845.db2.gz JMIUJKGUCFVYGI-RBSFLKMASA-N 2 1 293.842 3.054 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(Cl)n1 ZINC000925765566 619226709 /nfs/dbraw/zinc/22/67/09/619226709.db2.gz KXBOEIUXKCJDBS-OLZOCXBDSA-N 2 1 281.831 3.039 20 0 CGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925783958 619246518 /nfs/dbraw/zinc/24/65/18/619246518.db2.gz QAQITVOGULYGAB-IUODEOHRSA-N 2 1 298.352 3.038 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094371406 619249749 /nfs/dbraw/zinc/24/97/49/619249749.db2.gz AQGZZNIVDOYINU-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000237053534 619307124 /nfs/dbraw/zinc/30/71/24/619307124.db2.gz YTYBDJKHNTUXHW-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000237053534 619307126 /nfs/dbraw/zinc/30/71/26/619307126.db2.gz YTYBDJKHNTUXHW-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ocnc2C)c1 ZINC000894192013 619409992 /nfs/dbraw/zinc/40/99/92/619409992.db2.gz VPCRIBBWCIFACR-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261965969 619508097 /nfs/dbraw/zinc/50/80/97/619508097.db2.gz HTGCYEHBRQFZAR-UHFFFAOYSA-N 2 1 288.435 3.049 20 0 CGADMP COCCCC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCC1 ZINC000894621715 619590687 /nfs/dbraw/zinc/59/06/87/619590687.db2.gz CMGPWEQAQYWKFG-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP COCCCC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000894621715 619590691 /nfs/dbraw/zinc/59/06/91/619590691.db2.gz CMGPWEQAQYWKFG-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP COCCCC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCC1 ZINC000894621715 619590699 /nfs/dbraw/zinc/59/06/99/619590699.db2.gz CMGPWEQAQYWKFG-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP CCCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479550 619836476 /nfs/dbraw/zinc/83/64/76/619836476.db2.gz PXHATTGWKXZHRG-HOCLYGCPSA-N 2 1 284.513 3.230 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]CCC(C)(C)C)c1cccnc1 ZINC000896725001 620050063 /nfs/dbraw/zinc/05/00/63/620050063.db2.gz YJOXMTWANFCTDR-OAHLLOKOSA-N 2 1 263.429 3.100 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000925142557 620172032 /nfs/dbraw/zinc/17/20/32/620172032.db2.gz OLCIEKXSQIYXMU-LEOABGAYSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC[N@H+]1C ZINC000925142557 620172037 /nfs/dbraw/zinc/17/20/37/620172037.db2.gz OLCIEKXSQIYXMU-LEOABGAYSA-N 2 1 264.457 3.274 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000925223506 620241821 /nfs/dbraw/zinc/24/18/21/620241821.db2.gz WCBPFLGDARLDPH-JZXOWHBKSA-N 2 1 287.451 3.385 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981116 620461546 /nfs/dbraw/zinc/46/15/46/620461546.db2.gz HTQRGMOYEHMDPE-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924708715 620570624 /nfs/dbraw/zinc/57/06/24/620570624.db2.gz ZIQDKHLRQRGKMR-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924708715 620570626 /nfs/dbraw/zinc/57/06/26/620570626.db2.gz ZIQDKHLRQRGKMR-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C/C=C/Cl)CC1 ZINC000898434914 620587588 /nfs/dbraw/zinc/58/75/88/620587588.db2.gz YTHRNXCUFMIIQE-OIWZPFHCSA-N 2 1 270.848 3.372 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Br)cc1 ZINC000042440156 620879961 /nfs/dbraw/zinc/87/99/61/620879961.db2.gz SWFFPMWGDHOEDT-UHFFFAOYSA-N 2 1 299.256 3.400 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902477351 621326971 /nfs/dbraw/zinc/32/69/71/621326971.db2.gz SOAJTFSLHTWSNZ-RSJGLCBASA-N 2 1 270.420 3.114 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000902468176 621339583 /nfs/dbraw/zinc/33/95/83/621339583.db2.gz MFDYJHKJKWVLGY-DVWMECQTSA-N 2 1 296.867 3.376 20 0 CGADMP Clc1cccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)c1 ZINC000902468768 621340651 /nfs/dbraw/zinc/34/06/51/621340651.db2.gz VEWBLJQSFZCXJP-BYHHXJKWSA-N 2 1 290.838 3.459 20 0 CGADMP C[NH+](C)CCC[NH2+][C@H](CCc1ccccc1)c1cccnc1 ZINC000902720380 621409450 /nfs/dbraw/zinc/40/94/50/621409450.db2.gz ITMABJQCYUGHMI-LJQANCHMSA-N 2 1 297.446 3.297 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000902793593 621449900 /nfs/dbraw/zinc/44/99/00/621449900.db2.gz LCOUAQFJPRZEEL-GVDBMIGSSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000902872004 621475169 /nfs/dbraw/zinc/47/51/69/621475169.db2.gz WAXQRDIFIFVOSZ-IJTOGUNISA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903059232 621547700 /nfs/dbraw/zinc/54/77/00/621547700.db2.gz XLVJRJXYLPSAOA-JLYLLQBASA-N 2 1 284.447 3.285 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903090922 621566822 /nfs/dbraw/zinc/56/68/22/621566822.db2.gz JJUGKBBYTZYOBH-QAPCUYQASA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903090922 621566826 /nfs/dbraw/zinc/56/68/26/621566826.db2.gz JJUGKBBYTZYOBH-QAPCUYQASA-N 2 1 287.451 3.243 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000903172774 621613233 /nfs/dbraw/zinc/61/32/33/621613233.db2.gz DOUJEFZLIXKDDZ-SJLPKXTDSA-N 2 1 286.463 3.428 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000903195685 621622367 /nfs/dbraw/zinc/62/23/67/621622367.db2.gz YMLZYSMQVJPECR-MAUKXSAKSA-N 2 1 297.446 3.097 20 0 CGADMP C1=CCCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903226692 621628712 /nfs/dbraw/zinc/62/87/12/621628712.db2.gz LYXJQTDSSZIDME-ZNXRZULTSA-N 2 1 274.452 3.480 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCS1 ZINC000903228542 621637696 /nfs/dbraw/zinc/63/76/96/621637696.db2.gz VKHQYRAKABNCBM-LVMBCBDASA-N 2 1 280.481 3.018 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C[C@@H]3CC[C@H]([NH3+])C3)ccc2c1 ZINC000903427386 621741358 /nfs/dbraw/zinc/74/13/58/621741358.db2.gz YFWNBEKUOVNYTK-QAPCUYQASA-N 2 1 298.430 3.408 20 0 CGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430029 621743798 /nfs/dbraw/zinc/74/37/98/621743798.db2.gz OEAPQKCCQJDRCG-YPMHNXCESA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430647 621744330 /nfs/dbraw/zinc/74/43/30/621744330.db2.gz ZJVIXLYFKVOIRI-WZRBSPASSA-N 2 1 268.351 3.085 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903431045 621744525 /nfs/dbraw/zinc/74/45/25/621744525.db2.gz DXSIZBKODXSFEH-HYVNUMGLSA-N 2 1 258.409 3.259 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434359 621745058 /nfs/dbraw/zinc/74/50/58/621745058.db2.gz DKGAVMNAGSUVMY-BPQIPLTHSA-N 2 1 272.436 3.129 20 0 CGADMP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438977 621748182 /nfs/dbraw/zinc/74/81/82/621748182.db2.gz AAVZPQWHKWPLEI-UICACZKSSA-N 2 1 276.399 3.064 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496766 621766616 /nfs/dbraw/zinc/76/66/16/621766616.db2.gz BYPZROUIRWIYCW-HSMVNMDESA-N 2 1 282.378 3.333 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)C[C@H]1CC[NH3+] ZINC000903500043 621766772 /nfs/dbraw/zinc/76/67/72/621766772.db2.gz RSAXRZKPOPLISR-HSMVNMDESA-N 2 1 278.827 3.244 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903725260 621796976 /nfs/dbraw/zinc/79/69/76/621796976.db2.gz YLVYXSDCROQFSA-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CCCCC[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764639 621803153 /nfs/dbraw/zinc/80/31/53/621803153.db2.gz URIQQZNAOKEDIV-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765040 621803224 /nfs/dbraw/zinc/80/32/24/621803224.db2.gz XAPOQOJQFXGEDI-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1cccc(F)c1F ZINC000903757069 621803629 /nfs/dbraw/zinc/80/36/29/621803629.db2.gz BFGRZHZZLRGZDQ-VXGBXAGGSA-N 2 1 268.351 3.005 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCSc1cccc(Cl)c1)C2 ZINC000903842874 621819860 /nfs/dbraw/zinc/81/98/60/621819860.db2.gz WWYMPXLAWGMIKL-UBHSHLNASA-N 2 1 296.867 3.244 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890622 621823727 /nfs/dbraw/zinc/82/37/27/621823727.db2.gz GBERKPJPAPQSQA-ZBSSRIJBSA-N 2 1 270.420 3.136 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890621 621823878 /nfs/dbraw/zinc/82/38/78/621823878.db2.gz GBERKPJPAPQSQA-YTTRVJOFSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000903898882 621829963 /nfs/dbraw/zinc/82/99/63/621829963.db2.gz OZCMXYXLWSCKRI-UONOGXRCSA-N 2 1 274.399 3.404 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000903898882 621829964 /nfs/dbraw/zinc/82/99/64/621829964.db2.gz OZCMXYXLWSCKRI-UONOGXRCSA-N 2 1 274.399 3.404 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000903946388 621839566 /nfs/dbraw/zinc/83/95/66/621839566.db2.gz QIMPHTIZSFCWCD-UHFFFAOYSA-N 2 1 298.377 3.034 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)ccc2c1 ZINC000903976874 621844225 /nfs/dbraw/zinc/84/42/25/621844225.db2.gz GERXTVKIQVERNJ-RDTXWAMCSA-N 2 1 298.430 3.265 20 0 CGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303752 621901754 /nfs/dbraw/zinc/90/17/54/621901754.db2.gz GIKYKGKMSGOZML-KDYLLFBJSA-N 2 1 254.377 3.009 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904334535 621908331 /nfs/dbraw/zinc/90/83/31/621908331.db2.gz YTQZZDNHVITSOD-LLVKDONJSA-N 2 1 286.341 3.324 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904371691 621914291 /nfs/dbraw/zinc/91/42/91/621914291.db2.gz RCFQWEVGVODECF-WMLDXEAASA-N 2 1 278.415 3.078 20 0 CGADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904385703 621917565 /nfs/dbraw/zinc/91/75/65/621917565.db2.gz CBHDXQLRRJMATN-IHRRRGAJSA-N 2 1 290.373 3.041 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406073 621917897 /nfs/dbraw/zinc/91/78/97/621917897.db2.gz ORWWONZCUFFQGS-CYBMUJFWSA-N 2 1 266.816 3.128 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC000904410821 621919205 /nfs/dbraw/zinc/91/92/05/621919205.db2.gz ITFOONMOSBXWGU-TZMCWYRMSA-N 2 1 274.433 3.318 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000904450787 621923557 /nfs/dbraw/zinc/92/35/57/621923557.db2.gz SVBOSHFAUHQSGF-UHFFFAOYSA-N 2 1 276.380 3.135 20 0 CGADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(C)o1 ZINC000163672106 622794413 /nfs/dbraw/zinc/79/44/13/622794413.db2.gz FXVQTUWNORTIAQ-ZDUSSCGKSA-N 2 1 264.413 3.108 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224198539 622870211 /nfs/dbraw/zinc/87/02/11/622870211.db2.gz RPAQXFFWTNBLDG-SMDDNHRTSA-N 2 1 297.240 3.181 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224198539 622870216 /nfs/dbraw/zinc/87/02/16/622870216.db2.gz RPAQXFFWTNBLDG-SMDDNHRTSA-N 2 1 297.240 3.181 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@H]21 ZINC000228534688 623060548 /nfs/dbraw/zinc/06/05/48/623060548.db2.gz PSJIHHMPWMLPGU-RBSFLKMASA-N 2 1 280.362 3.183 20 0 CGADMP C[N@@H+](CCCNCc1ccoc1)C1CCCCC1 ZINC000062103502 623198187 /nfs/dbraw/zinc/19/81/87/623198187.db2.gz CGYFKWNEUQLEOC-UHFFFAOYSA-N 2 1 250.386 3.024 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]CCc1ccccc1)C1CCCCC1 ZINC000915684413 624021068 /nfs/dbraw/zinc/02/10/68/624021068.db2.gz KWRKONJOYAYXFH-SFHVURJKSA-N 2 1 274.452 3.329 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000923484153 626157117 /nfs/dbraw/zinc/15/71/17/626157117.db2.gz WSMJZIQOXRFXTH-HNNXBMFYSA-N 2 1 297.402 3.045 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1C[NH3+] ZINC000923499275 626158395 /nfs/dbraw/zinc/15/83/95/626158395.db2.gz MIGSLIBRKVDMDN-KSSFIOAISA-N 2 1 268.404 3.257 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500712 626159287 /nfs/dbraw/zinc/15/92/87/626159287.db2.gz XFGODQNYTJAXPK-AGIUHOORSA-N 2 1 266.816 3.318 20 0 CGADMP Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923508986 626160095 /nfs/dbraw/zinc/16/00/95/626160095.db2.gz YAHPQQMAEMXDEZ-AWEZNQCLSA-N 2 1 293.480 3.053 20 0 CGADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH2+]C1CC1 ZINC000923525367 626161013 /nfs/dbraw/zinc/16/10/13/626161013.db2.gz GETLQFIOJBBBPD-QXMXGUDHSA-N 2 1 272.383 3.027 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000753661801 626461503 /nfs/dbraw/zinc/46/15/03/626461503.db2.gz HPTDUPSXGDVOIB-HRCADAONSA-N 2 1 290.451 3.445 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000753661801 626461505 /nfs/dbraw/zinc/46/15/05/626461505.db2.gz HPTDUPSXGDVOIB-HRCADAONSA-N 2 1 290.451 3.445 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000753665385 626461549 /nfs/dbraw/zinc/46/15/49/626461549.db2.gz OAHWYMJUARVJOW-CVEARBPZSA-N 2 1 290.451 3.304 20 0 CGADMP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC000757653095 626797569 /nfs/dbraw/zinc/79/75/69/626797569.db2.gz XOWJXRHBTJTIRV-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC000757653095 626797574 /nfs/dbraw/zinc/79/75/74/626797574.db2.gz XOWJXRHBTJTIRV-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000757653095 626797577 /nfs/dbraw/zinc/79/75/77/626797577.db2.gz XOWJXRHBTJTIRV-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000757653095 626797580 /nfs/dbraw/zinc/79/75/80/626797580.db2.gz XOWJXRHBTJTIRV-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)CC1 ZINC000759967377 626933475 /nfs/dbraw/zinc/93/34/75/626933475.db2.gz PMWNATNUXLMCEI-DLBZAZTESA-N 2 1 272.436 3.133 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763522156 627162845 /nfs/dbraw/zinc/16/28/45/627162845.db2.gz XHKWDOUSIJXKEO-LCYFTJDESA-N 2 1 279.255 3.359 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000765773881 627270350 /nfs/dbraw/zinc/27/03/50/627270350.db2.gz ANIRMRXODHRLFR-ZWKOTPCHSA-N 3 1 295.515 3.105 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CCN1C ZINC000765773881 627270353 /nfs/dbraw/zinc/27/03/53/627270353.db2.gz ANIRMRXODHRLFR-ZWKOTPCHSA-N 2 1 295.515 3.105 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)SC)[C@@H](C)C1 ZINC000766276632 627312085 /nfs/dbraw/zinc/31/20/85/627312085.db2.gz IIWNWEBHYUQHNP-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769507861 627561073 /nfs/dbraw/zinc/56/10/73/627561073.db2.gz PIRJQVIWUYVULS-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769507861 627561076 /nfs/dbraw/zinc/56/10/76/627561076.db2.gz PIRJQVIWUYVULS-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000769507861 627561078 /nfs/dbraw/zinc/56/10/78/627561078.db2.gz PIRJQVIWUYVULS-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000769507861 627561079 /nfs/dbraw/zinc/56/10/79/627561079.db2.gz PIRJQVIWUYVULS-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C1(CC)CC ZINC000776158978 628171914 /nfs/dbraw/zinc/17/19/14/628171914.db2.gz GQLZEGPTWBJKPA-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CCC1(CC)[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1OC ZINC000776164975 628173845 /nfs/dbraw/zinc/17/38/45/628173845.db2.gz WMBUBSIPZMBOFY-QHEDDYRISA-N 2 1 294.483 3.185 20 0 CGADMP CCC1(CC)[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1OC ZINC000776164975 628173848 /nfs/dbraw/zinc/17/38/48/628173848.db2.gz WMBUBSIPZMBOFY-QHEDDYRISA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000779460501 628414470 /nfs/dbraw/zinc/41/44/70/628414470.db2.gz QIRHGHJAUOVFBG-WBVHZDCISA-N 2 1 272.436 3.480 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)Cc2ccccc21 ZINC000779460501 628414472 /nfs/dbraw/zinc/41/44/72/628414472.db2.gz QIRHGHJAUOVFBG-WBVHZDCISA-N 2 1 272.436 3.480 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)Cc2ccccc21 ZINC000779460501 628414474 /nfs/dbraw/zinc/41/44/74/628414474.db2.gz QIRHGHJAUOVFBG-WBVHZDCISA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780291314 628478638 /nfs/dbraw/zinc/47/86/38/628478638.db2.gz ANKSMEVAMPWAOF-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000783291344 628699698 /nfs/dbraw/zinc/69/96/98/628699698.db2.gz OZLHJWWZLQHVGQ-KQTLUZQSSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(C)o1 ZINC000784669901 628828286 /nfs/dbraw/zinc/82/82/86/628828286.db2.gz CQTBCAMNVNHYJQ-CYBMUJFWSA-N 2 1 264.413 3.251 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)o1 ZINC000119895249 629792042 /nfs/dbraw/zinc/79/20/42/629792042.db2.gz SZYDMZDYCMBILE-HNNXBMFYSA-N 2 1 264.413 3.106 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)o1 ZINC000119895249 629792049 /nfs/dbraw/zinc/79/20/49/629792049.db2.gz SZYDMZDYCMBILE-HNNXBMFYSA-N 2 1 264.413 3.106 20 0 CGADMP CC(C)CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956610 630128420 /nfs/dbraw/zinc/12/84/20/630128420.db2.gz GFNMODSGFCIJPP-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000798957414 630128480 /nfs/dbraw/zinc/12/84/80/630128480.db2.gz BZBASYMQGMFAKS-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP FC(F)(F)c1c[nH+]ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865485896 630147574 /nfs/dbraw/zinc/14/75/74/630147574.db2.gz FGSQBJODMXJIHL-UHFFFAOYSA-N 2 1 296.296 3.208 20 0 CGADMP CC(C)(C)OC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000865697903 630385733 /nfs/dbraw/zinc/38/57/33/630385733.db2.gz CYEWWYFFHCMPOX-YZUHTNEWSA-N 2 1 294.483 3.329 20 0 CGADMP Clc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000843386450 635656729 /nfs/dbraw/zinc/65/67/29/635656729.db2.gz IGEYUWNUGLQDSO-NWDGAFQWSA-N 2 1 299.871 3.008 20 0 CGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000843389666 635657333 /nfs/dbraw/zinc/65/73/33/635657333.db2.gz KQGBBXOSJZAZTA-OCCSQVGLSA-N 2 1 298.352 3.104 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2C)C1 ZINC000815560280 631795443 /nfs/dbraw/zinc/79/54/43/631795443.db2.gz CNCIEFSHILVUMD-UONOGXRCSA-N 2 1 264.388 3.127 20 0 CGADMP C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1c[nH+]ccc1N ZINC000817936735 632237970 /nfs/dbraw/zinc/23/79/70/632237970.db2.gz MHRDCTVTXFHCSB-CABZTGNLSA-N 2 1 288.222 3.119 20 0 CGADMP C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1c[nH+]ccc1N ZINC000817936731 632237996 /nfs/dbraw/zinc/23/79/96/632237996.db2.gz MHRDCTVTXFHCSB-BXKDBHETSA-N 2 1 288.222 3.119 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CC([NH3+])(CC)CC)c1 ZINC000817959320 632255119 /nfs/dbraw/zinc/25/51/19/632255119.db2.gz APPBTFQLWDYSPF-CYBMUJFWSA-N 2 1 264.413 3.253 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000817972223 632265981 /nfs/dbraw/zinc/26/59/81/632265981.db2.gz VGANSJSPKUHJGM-OWLYRPNTSA-N 2 1 272.436 3.443 20 0 CGADMP Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cnn1-c1ccccc1 ZINC000818618165 632342469 /nfs/dbraw/zinc/34/24/69/632342469.db2.gz NRWGERHEPQPPLP-FSPWUOQZSA-N 2 1 298.434 3.101 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCC[C@@H]1CCCO)C1CCCCC1 ZINC000820808348 632679790 /nfs/dbraw/zinc/67/97/90/632679790.db2.gz DLATZRUZNHJNGN-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@@H]1CCCO)C1CCCCC1 ZINC000820808348 632679794 /nfs/dbraw/zinc/67/97/94/632679794.db2.gz DLATZRUZNHJNGN-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000866316502 633080473 /nfs/dbraw/zinc/08/04/73/633080473.db2.gz ZQICNRSZOLBLNO-SCLBCKFNSA-N 2 1 288.410 3.301 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000866373650 633109747 /nfs/dbraw/zinc/10/97/47/633109747.db2.gz OYKWTLXRUVGSRB-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000866396641 633122820 /nfs/dbraw/zinc/12/28/20/633122820.db2.gz AUPNJYJGOBGWQG-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H]1C[C@H](NCc2ccc(C(C)(C)C)o2)CC[N@H+]1C ZINC000866574182 633201022 /nfs/dbraw/zinc/20/10/22/633201022.db2.gz QGOWJOVRGNTBII-QWHCGFSZSA-N 2 1 264.413 3.149 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1F ZINC000866705037 633233971 /nfs/dbraw/zinc/23/39/71/633233971.db2.gz RYGJVORQWHPXRP-QGZVFWFLSA-N 2 1 294.414 3.031 20 0 CGADMP CCC(C)(C)CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202183 635936046 /nfs/dbraw/zinc/93/60/46/635936046.db2.gz ZRFITQMFERWYPL-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202183 635936048 /nfs/dbraw/zinc/93/60/48/635936048.db2.gz ZRFITQMFERWYPL-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1nccn1CCC[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828435842 633614341 /nfs/dbraw/zinc/61/43/41/633614341.db2.gz OQXASRFLYCTXJZ-LBPRGKRZSA-N 2 1 290.238 3.097 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828435842 633614349 /nfs/dbraw/zinc/61/43/49/633614349.db2.gz OQXASRFLYCTXJZ-LBPRGKRZSA-N 2 1 290.238 3.097 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828435842 633614357 /nfs/dbraw/zinc/61/43/57/633614357.db2.gz OQXASRFLYCTXJZ-LBPRGKRZSA-N 2 1 290.238 3.097 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CCCCC1 ZINC000872017982 633938500 /nfs/dbraw/zinc/93/85/00/633938500.db2.gz GKLNYSUQIDTJQT-JKSUJKDBSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000872020753 633940668 /nfs/dbraw/zinc/94/06/68/633940668.db2.gz JYVGJRKRJCSMIZ-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000872020725 633941197 /nfs/dbraw/zinc/94/11/97/633941197.db2.gz JRYMDBGVJYSSCU-ULQDDVLXSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872039371 633958966 /nfs/dbraw/zinc/95/89/66/633958966.db2.gz RKHUYMCFGNTSBP-LBPRGKRZSA-N 2 1 291.370 3.167 20 0 CGADMP [NH3+]CCCCCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000846218562 636161108 /nfs/dbraw/zinc/16/11/08/636161108.db2.gz YRQOLYBIJOBFNK-UHFFFAOYSA-N 2 1 282.378 3.448 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@H]1C(F)(F)F ZINC000872150479 634065868 /nfs/dbraw/zinc/06/58/68/634065868.db2.gz QTVGOYUETDGGPG-YUELXQCFSA-N 2 1 298.352 3.133 20 0 CGADMP CN(c1cc[nH+]cc1C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000872545339 634164854 /nfs/dbraw/zinc/16/48/54/634164854.db2.gz CXJLDUMBPZWDFP-YIONKMFJSA-N 2 1 271.408 3.020 20 0 CGADMP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)c1c[nH+]ccc1N ZINC000873243655 634298203 /nfs/dbraw/zinc/29/82/03/634298203.db2.gz ZRBWHXCVYOFDFV-GFCCVEGCSA-N 2 1 259.397 3.115 20 0 CGADMP C[C@@H](CCCC[NH3+])[NH2+]CC(F)(F)c1ccc(F)cc1F ZINC000873281647 634316557 /nfs/dbraw/zinc/31/65/57/634316557.db2.gz NXWRNTANEFDYGA-JTQLQIEISA-N 2 1 292.320 3.164 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)SC)[C@H](C)C1 ZINC000876764745 634895384 /nfs/dbraw/zinc/89/53/84/634895384.db2.gz QTIZCCSJRQWYGO-ZIAGYGMSSA-N 2 1 272.502 3.180 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(C)CCCC2)cn1 ZINC000876950947 634934449 /nfs/dbraw/zinc/93/44/49/634934449.db2.gz BLJNPPUFAHUGDV-UHFFFAOYSA-N 2 1 284.407 3.246 20 0 CGADMP CSC(C)(C)CC[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000877458367 635044396 /nfs/dbraw/zinc/04/43/96/635044396.db2.gz QPNJCALZLBTGBQ-UHFFFAOYSA-N 2 1 270.486 3.078 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccnc(Cl)c1 ZINC000840807802 635056077 /nfs/dbraw/zinc/05/60/77/635056077.db2.gz GJTWXUXQRKNYHJ-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccnc2Cl)cc1 ZINC000841030291 635109440 /nfs/dbraw/zinc/10/94/40/635109440.db2.gz WASGEWQPJHHBME-LLVKDONJSA-N 2 1 275.783 3.045 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000877738849 635173550 /nfs/dbraw/zinc/17/35/50/635173550.db2.gz DHIYJXUDMNZEGC-GJZGRUSLSA-N 2 1 280.362 3.150 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000877738849 635173552 /nfs/dbraw/zinc/17/35/52/635173552.db2.gz DHIYJXUDMNZEGC-GJZGRUSLSA-N 2 1 280.362 3.150 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000877738849 635173557 /nfs/dbraw/zinc/17/35/57/635173557.db2.gz DHIYJXUDMNZEGC-GJZGRUSLSA-N 2 1 280.362 3.150 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000877738849 635173560 /nfs/dbraw/zinc/17/35/60/635173560.db2.gz DHIYJXUDMNZEGC-GJZGRUSLSA-N 2 1 280.362 3.150 20 0 CGADMP CC(C)C[N@H+](Cc1ccco1)CC1CC[NH+](C)CC1 ZINC000877767853 635194268 /nfs/dbraw/zinc/19/42/68/635194268.db2.gz XHDNZISSMKZEFY-UHFFFAOYSA-N 2 1 264.413 3.079 20 0 CGADMP CCOC1CC(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000877767926 635194450 /nfs/dbraw/zinc/19/44/50/635194450.db2.gz ZFLRINPNDKLMNT-UHFFFAOYSA-N 2 1 296.499 3.101 20 0 CGADMP C[NH+](CCCSC(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000878124401 635368743 /nfs/dbraw/zinc/36/87/43/635368743.db2.gz HKGNIZYRXVDJNY-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP C[NH+](CCCSC(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000878124401 635368748 /nfs/dbraw/zinc/36/87/48/635368748.db2.gz HKGNIZYRXVDJNY-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000842473024 635377887 /nfs/dbraw/zinc/37/78/87/635377887.db2.gz MFHVOUIUARLTBN-OAHLLOKOSA-N 2 1 282.453 3.031 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000842473024 635377890 /nfs/dbraw/zinc/37/78/90/635377890.db2.gz MFHVOUIUARLTBN-OAHLLOKOSA-N 2 1 282.453 3.031 20 0 CGADMP C[C@@H](C[N@@H+](C)CCCCCCC[NH3+])c1nccs1 ZINC000842476224 635378043 /nfs/dbraw/zinc/37/80/43/635378043.db2.gz JONFLVZHWHTBCB-ZDUSSCGKSA-N 2 1 269.458 3.088 20 0 CGADMP C[C@H](C[N@@H+](C)CCCCCCC[NH3+])c1nccs1 ZINC000842476223 635378202 /nfs/dbraw/zinc/37/82/02/635378202.db2.gz JONFLVZHWHTBCB-CYBMUJFWSA-N 2 1 269.458 3.088 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000842476691 635379513 /nfs/dbraw/zinc/37/95/13/635379513.db2.gz SCKHBZFIUYJRNG-MRXNPFEDSA-N 2 1 261.413 3.128 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC000878159872 635386266 /nfs/dbraw/zinc/38/62/66/635386266.db2.gz YCWSPAKOZURKRE-LSDHHAIUSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878159872 635386270 /nfs/dbraw/zinc/38/62/70/635386270.db2.gz YCWSPAKOZURKRE-LSDHHAIUSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878159872 635386275 /nfs/dbraw/zinc/38/62/75/635386275.db2.gz YCWSPAKOZURKRE-LSDHHAIUSA-N 2 1 288.426 3.476 20 0 CGADMP C(CC1CC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285486 635443413 /nfs/dbraw/zinc/44/34/13/635443413.db2.gz AMUBBRUEVUYWPZ-RDJZCZTQSA-N 2 1 262.441 3.125 20 0 CGADMP C(CC1CC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878285486 635443420 /nfs/dbraw/zinc/44/34/20/635443420.db2.gz AMUBBRUEVUYWPZ-RDJZCZTQSA-N 2 1 262.441 3.125 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CC(C)(C)OC1(C)C)CC2 ZINC000878340299 635466129 /nfs/dbraw/zinc/46/61/29/635466129.db2.gz UTXLPUVBGAJYAT-OAHLLOKOSA-N 2 1 294.483 3.140 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CC(C)(C)OC1(C)C)CC2 ZINC000878340299 635466131 /nfs/dbraw/zinc/46/61/31/635466131.db2.gz UTXLPUVBGAJYAT-OAHLLOKOSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H]([NH2+]CCCC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412424 635496276 /nfs/dbraw/zinc/49/62/76/635496276.db2.gz VADIJNPDGXRMFM-HOCLYGCPSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](Cc1ccc(SC(F)F)cc1)CC(C)(C)C[NH3+] ZINC000843056682 635553997 /nfs/dbraw/zinc/55/39/97/635553997.db2.gz VUUWKOXADVUWGM-UHFFFAOYSA-N 2 1 288.407 3.418 20 0 CGADMP C[N@@H+](Cc1ccccc1OCC1CC1)C1CCC([NH3+])CC1 ZINC000843056110 635554020 /nfs/dbraw/zinc/55/40/20/635554020.db2.gz ZMAZYUZADYLKPI-UHFFFAOYSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)CC(C)(C)C ZINC000879581303 635816153 /nfs/dbraw/zinc/81/61/53/635816153.db2.gz XXJSISGAEBUVHE-KKUMJFAQSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)CC(C)(C)C ZINC000879581303 635816158 /nfs/dbraw/zinc/81/61/58/635816158.db2.gz XXJSISGAEBUVHE-KKUMJFAQSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)CC(C)(C)C ZINC000879581303 635816163 /nfs/dbraw/zinc/81/61/63/635816163.db2.gz XXJSISGAEBUVHE-KKUMJFAQSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)CC(C)(C)C ZINC000879581303 635816168 /nfs/dbraw/zinc/81/61/68/635816168.db2.gz XXJSISGAEBUVHE-KKUMJFAQSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000845928631 636120107 /nfs/dbraw/zinc/12/01/07/636120107.db2.gz PFZSKJCKUKHSCW-UHFFFAOYSA-N 2 1 287.407 3.180 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000845938585 636120492 /nfs/dbraw/zinc/12/04/92/636120492.db2.gz WBZNXOSUIASPGH-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000846220372 636163446 /nfs/dbraw/zinc/16/34/46/636163446.db2.gz HNKULTHUZJGEGK-QGZVFWFLSA-N 2 1 275.440 3.082 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883193106 636576791 /nfs/dbraw/zinc/57/67/91/636576791.db2.gz OVAVSYDXWFIWDO-OAHLLOKOSA-N 2 1 261.413 3.284 20 0 CGADMP CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000883270429 636641704 /nfs/dbraw/zinc/64/17/04/636641704.db2.gz NWVVKRWUOJNCGO-DDUZABMNSA-N 2 1 299.418 3.256 20 0 CGADMP C[C@@H](Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883345458 636689980 /nfs/dbraw/zinc/68/99/80/636689980.db2.gz COOSOKVIVWDFIE-KDOFPFPSSA-N 2 1 285.435 3.181 20 0 CGADMP Cc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(C)c1OC(F)F ZINC000849350205 636817802 /nfs/dbraw/zinc/81/78/02/636817802.db2.gz UVQZTTSALSVYKZ-UHFFFAOYSA-N 2 1 298.377 3.266 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000850381615 637040406 /nfs/dbraw/zinc/04/04/06/637040406.db2.gz HUQZCKUGSORTPI-JFIYKMOQSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000850381615 637040410 /nfs/dbraw/zinc/04/04/10/637040410.db2.gz HUQZCKUGSORTPI-JFIYKMOQSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCC(F)CC1 ZINC000850396216 637046507 /nfs/dbraw/zinc/04/65/07/637046507.db2.gz RJXSEPYAVCKITK-PNESKVBLSA-N 2 1 299.459 3.211 20 0 CGADMP C[C@H]([NH2+][C@@H]1C=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850508549 637094890 /nfs/dbraw/zinc/09/48/90/637094890.db2.gz KFVHBNHKFZDYML-RYQLBKOJSA-N 2 1 270.420 3.205 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCO2 ZINC000850541115 637114685 /nfs/dbraw/zinc/11/46/85/637114685.db2.gz RVXCHMFFHUUKCB-RHSMWYFYSA-N 2 1 288.435 3.147 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(C)cc2)CC1 ZINC000109788558 637268876 /nfs/dbraw/zinc/26/88/76/637268876.db2.gz QCDNTKXFVSTONY-UHFFFAOYSA-N 2 1 290.451 3.180 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000886069945 637399161 /nfs/dbraw/zinc/39/91/61/637399161.db2.gz MQITZTIXCWFVMP-ORQFMDKSSA-N 2 1 264.457 3.085 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886320040 637500045 /nfs/dbraw/zinc/50/00/45/637500045.db2.gz YUXKBOXZQLVJDZ-ROUUACIJSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)c3ccccn3)CC2)[nH+]c1C ZINC000886663021 637639579 /nfs/dbraw/zinc/63/95/79/637639579.db2.gz RNGCIQSXMCGLCJ-CQSZACIVSA-N 2 1 284.407 3.362 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852758982 637708498 /nfs/dbraw/zinc/70/84/98/637708498.db2.gz IHGLDMNODSYLSO-IAGOWNOFSA-N 2 1 282.472 3.177 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC000886874034 637715681 /nfs/dbraw/zinc/71/56/81/637715681.db2.gz FBFZKHBXZQZDQC-IBGZPJMESA-N 2 1 295.430 3.200 20 0 CGADMP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000886858006 637715839 /nfs/dbraw/zinc/71/58/39/637715839.db2.gz JIQPUKBSXKGPDW-RDBSUJKOSA-N 2 1 290.373 3.041 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873916 637716097 /nfs/dbraw/zinc/71/60/97/637716097.db2.gz BERFJACXAGBVSE-ZFWWWQNUSA-N 2 1 274.399 3.133 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000854222544 638026243 /nfs/dbraw/zinc/02/62/43/638026243.db2.gz ILRGMHXAHDIIBY-XWTMOSNGSA-N 2 1 272.436 3.156 20 0 CGADMP [NH3+][C@H](CNc1cc[nH+]c2cc(Cl)ccc12)C1CC1 ZINC000113502382 638225589 /nfs/dbraw/zinc/22/55/89/638225589.db2.gz HIKBEWLDAYSZBI-GFCCVEGCSA-N 2 1 261.756 3.037 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000924578466 638367354 /nfs/dbraw/zinc/36/73/54/638367354.db2.gz ACVDYFKVWLIKJU-KRWDZBQOSA-N 2 1 297.446 3.124 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000924597284 638371477 /nfs/dbraw/zinc/37/14/77/638371477.db2.gz FDHQYZXOTCGBHA-ZWKOTPCHSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000924953205 638429479 /nfs/dbraw/zinc/42/94/79/638429479.db2.gz QIROARBCBLSZFA-DOMZBBRYSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2cccc(C)c21 ZINC000924955023 638431144 /nfs/dbraw/zinc/43/11/44/638431144.db2.gz ZJDPXYKVKZVPQN-CXAGYDPISA-N 2 1 283.419 3.413 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccccn2)c1 ZINC000924958820 638432511 /nfs/dbraw/zinc/43/25/11/638432511.db2.gz MDXCQYIIUSOFDV-MRXNPFEDSA-N 2 1 297.446 3.254 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000925495290 638511721 /nfs/dbraw/zinc/51/17/21/638511721.db2.gz NUYONXPMWMJVAK-IFXJQAMLSA-N 2 1 293.414 3.389 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(F)c1 ZINC000925522094 638517981 /nfs/dbraw/zinc/51/79/81/638517981.db2.gz QYHCDHUCYHTBNJ-RDJZCZTQSA-N 2 1 294.389 3.223 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C[NH+](C)C)c1 ZINC000925550472 638526218 /nfs/dbraw/zinc/52/62/18/638526218.db2.gz MVPZAGDYQYVMII-GUYCJALGSA-N 2 1 298.434 3.200 20 0 CGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)C1 ZINC000925559971 638529700 /nfs/dbraw/zinc/52/97/00/638529700.db2.gz VRGYZDCWYQCXGP-HUUCEWRRSA-N 2 1 299.418 3.337 20 0 CGADMP Clc1cccc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925589856 638538488 /nfs/dbraw/zinc/53/84/88/638538488.db2.gz BWKTWKFHHCRNLJ-OAHLLOKOSA-N 2 1 278.827 3.147 20 0 CGADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC000925657245 638559221 /nfs/dbraw/zinc/55/92/21/638559221.db2.gz ROVOSESUEXMMFP-DJIMGWMZSA-N 2 1 288.410 3.336 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925746818 638594557 /nfs/dbraw/zinc/59/45/57/638594557.db2.gz COFNGQSWSAOTFP-BZPMIXESSA-N 2 1 293.480 3.175 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857907408 638599543 /nfs/dbraw/zinc/59/95/43/638599543.db2.gz NXGUSDFUOPIOJP-MJBXVCDLSA-N 2 1 293.842 3.185 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917277 638604723 /nfs/dbraw/zinc/60/47/23/638604723.db2.gz UQPKIXDXGFTNQR-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917277 638604731 /nfs/dbraw/zinc/60/47/31/638604731.db2.gz UQPKIXDXGFTNQR-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C2CCC2)o1 ZINC000925779032 638610322 /nfs/dbraw/zinc/61/03/22/638610322.db2.gz VZPJZFCGYWLBQP-UKRRQHHQSA-N 2 1 298.377 3.264 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000925778903 638610348 /nfs/dbraw/zinc/61/03/48/638610348.db2.gz UYPQIIXFYHODHP-VXGBXAGGSA-N 2 1 274.380 3.034 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCC1 ZINC000925789598 638614450 /nfs/dbraw/zinc/61/44/50/638614450.db2.gz ALACINVFZHGGFI-DLBZAZTESA-N 2 1 294.483 3.094 20 0 CGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788876 638614924 /nfs/dbraw/zinc/61/49/24/638614924.db2.gz CRJSDWVFJAOUPA-UPJWGTAASA-N 2 1 296.842 3.245 20 0 CGADMP C1=CCC(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000925829897 638625390 /nfs/dbraw/zinc/62/53/90/638625390.db2.gz AZDCPXKLBBAZEW-MSOLQXFVSA-N 2 1 270.420 3.426 20 0 CGADMP C1=CCC(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000925829899 638625707 /nfs/dbraw/zinc/62/57/07/638625707.db2.gz AZDCPXKLBBAZEW-ROUUACIJSA-N 2 1 270.420 3.426 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccnc(F)c2)C1 ZINC000858099666 638626797 /nfs/dbraw/zinc/62/67/97/638626797.db2.gz UEHBHGPJQKSPFA-GASCZTMLSA-N 2 1 293.430 3.068 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CC=CCC2)s1 ZINC000858272214 638669208 /nfs/dbraw/zinc/66/92/08/638669208.db2.gz RAQOMKZTPDEIAJ-CYBMUJFWSA-N 2 1 279.453 3.041 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000926128857 638714529 /nfs/dbraw/zinc/71/45/29/638714529.db2.gz WSQGEXZNJRIUNW-AWEZNQCLSA-N 2 1 293.430 3.382 20 0 CGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000926348786 638765272 /nfs/dbraw/zinc/76/52/72/638765272.db2.gz GTOLHCVOLLUDNY-CIRFHOKZSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000926348786 638765273 /nfs/dbraw/zinc/76/52/73/638765273.db2.gz GTOLHCVOLLUDNY-CIRFHOKZSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926571956 638787037 /nfs/dbraw/zinc/78/70/37/638787037.db2.gz APVJCHQRPYSCHO-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CC(F)(F)C1 ZINC000926895972 638822408 /nfs/dbraw/zinc/82/24/08/638822408.db2.gz CAXPHJCPDAFMKJ-SWLSCSKDSA-N 2 1 297.393 3.098 20 0 CGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CC(F)(F)C1 ZINC000926895972 638822409 /nfs/dbraw/zinc/82/24/09/638822409.db2.gz CAXPHJCPDAFMKJ-SWLSCSKDSA-N 2 1 297.393 3.098 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000926922150 638825970 /nfs/dbraw/zinc/82/59/70/638825970.db2.gz ZIQJYTVPGHLNER-MAUKXSAKSA-N 2 1 297.446 3.097 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)[C@H]2CCC[C@H]21 ZINC000927100191 638841994 /nfs/dbraw/zinc/84/19/94/638841994.db2.gz HRBZLXLYEBBIRM-XUWVNRHRSA-N 2 1 294.483 3.043 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(F)c2)[C@@H](C)C1 ZINC000930001238 638967232 /nfs/dbraw/zinc/96/72/32/638967232.db2.gz SGNYKQNSWWPIMY-YOEHRIQHSA-N 2 1 278.415 3.030 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(F)F)[C@H](C)C1 ZINC000929998739 638967642 /nfs/dbraw/zinc/96/76/42/638967642.db2.gz GKIZSHGUYGKZQJ-CHWSQXEVSA-N 2 1 262.388 3.084 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2CF)[C@H](C)C1 ZINC000930001441 638967774 /nfs/dbraw/zinc/96/77/74/638967774.db2.gz VDNVOBYICUKWLI-PBHICJAKSA-N 2 1 278.415 3.318 20 0 CGADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1C ZINC000930171868 638979139 /nfs/dbraw/zinc/97/91/39/638979139.db2.gz WIHOALZTZJXQHL-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1C ZINC000930171868 638979141 /nfs/dbraw/zinc/97/91/41/638979141.db2.gz WIHOALZTZJXQHL-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCc3cccc(F)c3)C2)CC1 ZINC000930309134 638989540 /nfs/dbraw/zinc/98/95/40/638989540.db2.gz GPQQCDVBHVMKST-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000931428946 639148904 /nfs/dbraw/zinc/14/89/04/639148904.db2.gz DKXKSWDJGTYIRV-KGLIPLIRSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000931428946 639148906 /nfs/dbraw/zinc/14/89/06/639148906.db2.gz DKXKSWDJGTYIRV-KGLIPLIRSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000931428946 639148909 /nfs/dbraw/zinc/14/89/09/639148909.db2.gz DKXKSWDJGTYIRV-KGLIPLIRSA-N 2 1 298.352 3.089 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934836873 639686984 /nfs/dbraw/zinc/68/69/84/639686984.db2.gz HDYSSZNJBUDVMD-QZTJIDSGSA-N 2 1 294.483 3.001 20 0 CGADMP C[N@@H+](Cc1cc(-c2ccccc2)no1)C1CCC([NH3+])CC1 ZINC000091846695 640725105 /nfs/dbraw/zinc/72/51/05/640725105.db2.gz VKPCGPGBUXVIOU-UHFFFAOYSA-N 2 1 285.391 3.043 20 0 CGADMP C[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1C[NH3+] ZINC000253197284 640875028 /nfs/dbraw/zinc/87/50/28/640875028.db2.gz UPQZMBFRJLSSFS-VXGBXAGGSA-N 2 1 289.810 3.309 20 0 CGADMP COc1ccc2c[nH+]c(N(C)CC3CC[NH+](C)CC3)cc2c1 ZINC001165043422 721935576 /nfs/dbraw/zinc/93/55/76/721935576.db2.gz XFLLFYPXBFAUMQ-UHFFFAOYSA-N 2 1 299.418 3.021 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001257214938 807062840 /nfs/dbraw/zinc/06/28/40/807062840.db2.gz OMDOBQDIXJJUNU-HNNXBMFYSA-N 2 1 256.409 3.073 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001257214938 807062846 /nfs/dbraw/zinc/06/28/46/807062846.db2.gz OMDOBQDIXJJUNU-HNNXBMFYSA-N 2 1 256.409 3.073 20 0 CGADMP Cc1ccc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]c1C ZINC001156928951 805756198 /nfs/dbraw/zinc/75/61/98/805756198.db2.gz PXEMBAWAWPTGHV-CQSZACIVSA-N 2 1 261.413 3.375 20 0 CGADMP CCC[NH+]1C[C@H]2CN(c3[nH+]c(C)cc4ccccc43)C[C@@H]2C1 ZINC001157691896 805852640 /nfs/dbraw/zinc/85/26/40/805852640.db2.gz LXTPDSJRHUQWOK-IRXDYDNUSA-N 2 1 295.430 3.321 20 0 CGADMP COc1cc[nH+]c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001159131482 806047808 /nfs/dbraw/zinc/04/78/08/806047808.db2.gz NTDGJICMMMGOKB-HNNXBMFYSA-N 2 1 269.348 3.258 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1NC1=CC[NH2+]CC1 ZINC001159818286 806179362 /nfs/dbraw/zinc/17/93/62/806179362.db2.gz JVPVHZOBSZABNC-UHFFFAOYSA-N 2 1 271.408 3.274 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1ccc(C)c(C)c1 ZINC001253208704 806182966 /nfs/dbraw/zinc/18/29/66/806182966.db2.gz AOPOTCOQSZLSHR-ZWKOTPCHSA-N 2 1 292.467 3.047 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253391219 806214468 /nfs/dbraw/zinc/21/44/68/806214468.db2.gz ICUWPLOMWFUMDB-QGZVFWFLSA-N 2 1 292.467 3.038 20 0 CGADMP CCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC001253408810 806217119 /nfs/dbraw/zinc/21/71/19/806217119.db2.gz ZEQXCFIMBQSAFF-HOTGVXAUSA-N 2 1 296.430 3.006 20 0 CGADMP COc1ccc2cnc(NCC[C@H]3CCC[N@H+]3C)cc2c1 ZINC001160971182 806331932 /nfs/dbraw/zinc/33/19/32/806331932.db2.gz YLNKQTZJXADDQT-OAHLLOKOSA-N 2 1 285.391 3.140 20 0 CGADMP COc1ccc2c[nH+]c(NCC[C@H]3CCC[N@@H+]3C)cc2c1 ZINC001160971182 806331941 /nfs/dbraw/zinc/33/19/41/806331941.db2.gz YLNKQTZJXADDQT-OAHLLOKOSA-N 2 1 285.391 3.140 20 0 CGADMP COc1ccc2c[nH+]c(NCC[C@H]3CCC[N@H+]3C)cc2c1 ZINC001160971182 806331950 /nfs/dbraw/zinc/33/19/50/806331950.db2.gz YLNKQTZJXADDQT-OAHLLOKOSA-N 2 1 285.391 3.140 20 0 CGADMP C[N@H+]1CCC[C@H](n2c(C[NH3+])cc3cc(Cl)ccc32)CC1 ZINC001254500269 806421962 /nfs/dbraw/zinc/42/19/62/806421962.db2.gz SZCXWKBVGWMYDH-AWEZNQCLSA-N 2 1 291.826 3.410 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC001254504471 806423668 /nfs/dbraw/zinc/42/36/68/806423668.db2.gz BNKOYJUKBUNWNT-BLLLJJGKSA-N 2 1 278.827 3.401 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC001254504831 806424431 /nfs/dbraw/zinc/42/44/31/806424431.db2.gz XJVJZUDFUFFHOY-MRXNPFEDSA-N 2 1 292.854 3.446 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CC1 ZINC001254513061 806433079 /nfs/dbraw/zinc/43/30/79/806433079.db2.gz WKEMNWGRHOITTB-QGZVFWFLSA-N 2 1 290.426 3.222 20 0 CGADMP C[NH+](C)CCCCNc1[nH+]ccc2cc(F)ccc21 ZINC001161724785 806435849 /nfs/dbraw/zinc/43/58/49/806435849.db2.gz PFHFVBAXCLWZAU-UHFFFAOYSA-N 2 1 261.344 3.128 20 0 CGADMP COc1ccccc1[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C1CC1 ZINC001254515495 806436275 /nfs/dbraw/zinc/43/62/75/806436275.db2.gz WXHDSBXSZQKDHT-YJBOKZPZSA-N 2 1 288.435 3.220 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001254524586 806438032 /nfs/dbraw/zinc/43/80/32/806438032.db2.gz XHFYCZMVEQZSEP-GOSISDBHSA-N 2 1 290.426 3.489 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524785 806439197 /nfs/dbraw/zinc/43/91/97/806439197.db2.gz ZIKIQYDVPXAAHJ-HUUCEWRRSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524785 806439203 /nfs/dbraw/zinc/43/92/03/806439203.db2.gz ZIKIQYDVPXAAHJ-HUUCEWRRSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524785 806439209 /nfs/dbraw/zinc/43/92/09/806439209.db2.gz ZIKIQYDVPXAAHJ-HUUCEWRRSA-N 2 1 276.399 3.099 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254530413 806441589 /nfs/dbraw/zinc/44/15/89/806441589.db2.gz XROWGHYOZRPFDG-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254530413 806441598 /nfs/dbraw/zinc/44/15/98/806441598.db2.gz XROWGHYOZRPFDG-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254530413 806441604 /nfs/dbraw/zinc/44/16/04/806441604.db2.gz XROWGHYOZRPFDG-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(c3cccc(O)c3)CC2)CC1 ZINC001254529000 806443527 /nfs/dbraw/zinc/44/35/27/806443527.db2.gz BNJZRBHYOZPOSM-QGZVFWFLSA-N 2 1 288.435 3.056 20 0 CGADMP CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255123421 806548902 /nfs/dbraw/zinc/54/89/02/806548902.db2.gz SLGZREYJYRRHEU-OSYLJGHBSA-N 2 1 270.420 3.324 20 0 CGADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2CCSC2)CC1 ZINC001255276561 806590814 /nfs/dbraw/zinc/59/08/14/806590814.db2.gz VHDLXFKUNHKYFN-LBPRGKRZSA-N 2 1 296.867 3.095 20 0 CGADMP C[C@@H]1CCCC[C@H]1CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001162524762 806609891 /nfs/dbraw/zinc/60/98/91/806609891.db2.gz HWSBSXMSHWKTAE-KGLIPLIRSA-N 2 1 298.434 3.259 20 0 CGADMP C[C@@H]1CC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255397315 806633291 /nfs/dbraw/zinc/63/32/91/806633291.db2.gz FEJVSPSTPHXXBM-NVXWUHKLSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@@H]1CC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397315 806633293 /nfs/dbraw/zinc/63/32/93/806633293.db2.gz FEJVSPSTPHXXBM-NVXWUHKLSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@@H]1CC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397315 806633296 /nfs/dbraw/zinc/63/32/96/806633296.db2.gz FEJVSPSTPHXXBM-NVXWUHKLSA-N 2 1 258.409 3.135 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C2CCC(OC)CC2)CC1 ZINC001255465070 806644787 /nfs/dbraw/zinc/64/47/87/806644787.db2.gz FLLTVTPKOICUDZ-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP C[N@H+]1CCC[C@H](n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)C1 ZINC001255489536 806649631 /nfs/dbraw/zinc/64/96/31/806649631.db2.gz OWXMOLHGDUNKID-GOEBONIOSA-N 2 1 298.434 3.118 20 0 CGADMP COC1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001255463526 806644612 /nfs/dbraw/zinc/64/46/12/806644612.db2.gz PIANKXPBPAYVFZ-JDEYZFBPSA-N 2 1 294.483 3.283 20 0 CGADMP COC1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001255463526 806644617 /nfs/dbraw/zinc/64/46/17/806644617.db2.gz PIANKXPBPAYVFZ-JDEYZFBPSA-N 2 1 294.483 3.283 20 0 CGADMP COC1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001255463526 806644622 /nfs/dbraw/zinc/64/46/22/806644622.db2.gz PIANKXPBPAYVFZ-JDEYZFBPSA-N 2 1 294.483 3.283 20 0 CGADMP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408402 798867524 /nfs/dbraw/zinc/86/75/24/798867524.db2.gz KOJJBPRPTWVPEV-MWDXBVQZSA-N 2 1 276.468 3.419 20 0 CGADMP Cc1ccc2c(c1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255681678 806703579 /nfs/dbraw/zinc/70/35/79/806703579.db2.gz AXZMUDUDAMSBNI-DFNIBXOVSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255681678 806703587 /nfs/dbraw/zinc/70/35/87/806703587.db2.gz AXZMUDUDAMSBNI-DFNIBXOVSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255681678 806703592 /nfs/dbraw/zinc/70/35/92/806703592.db2.gz AXZMUDUDAMSBNI-DFNIBXOVSA-N 2 1 284.447 3.368 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255709036 806713446 /nfs/dbraw/zinc/71/34/46/806713446.db2.gz PAIQGTGSCUZCLN-WDEREUQCSA-N 2 1 275.318 3.068 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255720708 806718400 /nfs/dbraw/zinc/71/84/00/806718400.db2.gz HFEHMRYKKJXBIM-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC000235365950 799143923 /nfs/dbraw/zinc/14/39/23/799143923.db2.gz LVNKRYAABURFCW-CHWSQXEVSA-N 2 1 266.816 3.160 20 0 CGADMP CC(C)(C)C1CCC([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000304346779 799209723 /nfs/dbraw/zinc/20/97/23/799209723.db2.gz USSHJJHODDQANQ-UHFFFAOYSA-N 2 1 296.499 3.028 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000311209550 799224040 /nfs/dbraw/zinc/22/40/40/799224040.db2.gz KOOPPZWAPAFWQF-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000311209550 799224042 /nfs/dbraw/zinc/22/40/42/799224042.db2.gz KOOPPZWAPAFWQF-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000312037383 799226872 /nfs/dbraw/zinc/22/68/72/799226872.db2.gz UJNZZSGBRJYWJH-ZDUSSCGKSA-N 2 1 268.351 3.185 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001255774960 806746203 /nfs/dbraw/zinc/74/62/03/806746203.db2.gz PTRLPYJKIRMZPF-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000385956201 799430069 /nfs/dbraw/zinc/43/00/69/799430069.db2.gz NZJHXZQPRHZQQB-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000385956201 799430076 /nfs/dbraw/zinc/43/00/76/799430076.db2.gz NZJHXZQPRHZQQB-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000386349775 799435572 /nfs/dbraw/zinc/43/55/72/799435572.db2.gz MXOOKEWWCSRQIE-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000393881769 799492659 /nfs/dbraw/zinc/49/26/59/799492659.db2.gz MSHFREABQYDHID-CYBMUJFWSA-N 2 1 297.240 3.010 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000393881769 799492662 /nfs/dbraw/zinc/49/26/62/799492662.db2.gz MSHFREABQYDHID-CYBMUJFWSA-N 2 1 297.240 3.010 20 0 CGADMP c1c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000687987067 799743286 /nfs/dbraw/zinc/74/32/86/799743286.db2.gz KVNVSOREKWZNHY-DOMZBBRYSA-N 2 1 276.449 3.158 20 0 CGADMP c1c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC000687982254 799743548 /nfs/dbraw/zinc/74/35/48/799743548.db2.gz SLVHZBBZSNKLTK-BETUJISGSA-N 2 1 276.449 3.016 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCSC(F)(F)F)[C@@H]1CCC[NH3+] ZINC000693438476 799811304 /nfs/dbraw/zinc/81/13/04/799811304.db2.gz BZHXGPMTYHWVHX-GHMZBOCLSA-N 2 1 284.391 3.079 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647974 799831272 /nfs/dbraw/zinc/83/12/72/799831272.db2.gz KRWGFYWGUYKCCH-ZBFHGGJFSA-N 2 1 292.854 3.258 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCCC[NH2+]C1 ZINC000697000300 799842642 /nfs/dbraw/zinc/84/26/42/799842642.db2.gz RVJGCRDUPNEWAF-AWEZNQCLSA-N 2 1 266.816 3.162 20 0 CGADMP c1csc(C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000699306785 799859251 /nfs/dbraw/zinc/85/92/51/799859251.db2.gz WCJFJMNWDOEAJM-AGUYFDCRSA-N 2 1 276.449 3.243 20 0 CGADMP C[C@@H](C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000699262557 799859796 /nfs/dbraw/zinc/85/97/96/799859796.db2.gz DDUYSIQZXCISRU-AVOUXACISA-N 2 1 252.446 3.131 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC001255940396 806790411 /nfs/dbraw/zinc/79/04/11/806790411.db2.gz BIMDVDDECWJGFM-LSDHHAIUSA-N 2 1 278.440 3.466 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC001255942452 806791403 /nfs/dbraw/zinc/79/14/03/806791403.db2.gz GXHBEFRMVGCCDC-OAHLLOKOSA-N 2 1 285.435 3.445 20 0 CGADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C)C(C)C ZINC000707122443 799973093 /nfs/dbraw/zinc/97/30/93/799973093.db2.gz OULLNANZVPYQPV-LBPRGKRZSA-N 2 1 266.454 3.260 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc2ocnc2c1 ZINC001255951554 806794867 /nfs/dbraw/zinc/79/48/67/806794867.db2.gz QJUSLDUAWWFEPH-CYBMUJFWSA-N 2 1 275.396 3.038 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709808070 800019048 /nfs/dbraw/zinc/01/90/48/800019048.db2.gz JUAZHHVRDWYREP-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ccc(F)cn1)C1CC1 ZINC001255954311 806797044 /nfs/dbraw/zinc/79/70/44/806797044.db2.gz TZMMPVWTGZHONH-GUYCJALGSA-N 2 1 293.430 3.382 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCc1ccc(OC)cc1 ZINC001255964092 806801862 /nfs/dbraw/zinc/80/18/62/806801862.db2.gz OKKGHJCWDMOEJJ-INIZCTEOSA-N 2 1 292.467 3.290 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CCOC2(C)C)CC1 ZINC001255971847 806803949 /nfs/dbraw/zinc/80/39/49/806803949.db2.gz LOXCHCPSCVOODG-MRXNPFEDSA-N 2 1 296.499 3.388 20 0 CGADMP C1=CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716715870 800178469 /nfs/dbraw/zinc/17/84/69/800178469.db2.gz FAIDMGYIJZVTPG-UHOSZYNNSA-N 2 1 282.431 3.348 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C1CCN(C2CC2)CC1 ZINC001256081527 806816304 /nfs/dbraw/zinc/81/63/04/806816304.db2.gz IQWVMONMPQQFTE-UHFFFAOYSA-N 2 1 272.436 3.444 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256081527 806816305 /nfs/dbraw/zinc/81/63/05/806816305.db2.gz IQWVMONMPQQFTE-UHFFFAOYSA-N 2 1 272.436 3.444 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256081527 806816313 /nfs/dbraw/zinc/81/63/13/806816313.db2.gz IQWVMONMPQQFTE-UHFFFAOYSA-N 2 1 272.436 3.444 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000723701596 800337757 /nfs/dbraw/zinc/33/77/57/800337757.db2.gz PDPFKBDVFAEYCU-JTQLQIEISA-N 2 1 290.304 3.015 20 0 CGADMP c1csc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903130342 800594504 /nfs/dbraw/zinc/59/45/04/800594504.db2.gz LZJQJLFJNJEAMK-VHRNVKJDSA-N 2 1 290.476 3.428 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC001256198818 806847331 /nfs/dbraw/zinc/84/73/31/806847331.db2.gz WLDYNDVXCLNREW-QGZVFWFLSA-N 2 1 260.425 3.438 20 0 CGADMP CN1CCC([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CC1 ZINC001256209927 806849396 /nfs/dbraw/zinc/84/93/96/806849396.db2.gz XIVUDNGEFKSXNJ-SFHVURJKSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CC1 ZINC001256209927 806849402 /nfs/dbraw/zinc/84/94/02/806849402.db2.gz XIVUDNGEFKSXNJ-SFHVURJKSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CC1 ZINC001256209927 806849409 /nfs/dbraw/zinc/84/94/09/806849409.db2.gz XIVUDNGEFKSXNJ-SFHVURJKSA-N 2 1 286.463 3.425 20 0 CGADMP CN1CCC([N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001256208662 806849876 /nfs/dbraw/zinc/84/98/76/806849876.db2.gz MAUIWZGGCURBLZ-AWEZNQCLSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC(N2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001256208662 806849884 /nfs/dbraw/zinc/84/98/84/806849884.db2.gz MAUIWZGGCURBLZ-AWEZNQCLSA-N 2 1 278.827 3.224 20 0 CGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)CCC(C)C)CC1 ZINC001256370480 806872088 /nfs/dbraw/zinc/87/20/88/806872088.db2.gz IRVQWPICJDXRNW-FUHWJXTLSA-N 2 1 296.499 3.386 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256521047 806909232 /nfs/dbraw/zinc/90/92/32/806909232.db2.gz XWLRUZSQMOEIKN-MHABSNSOSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256521047 806909238 /nfs/dbraw/zinc/90/92/38/806909238.db2.gz XWLRUZSQMOEIKN-MHABSNSOSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CCC(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541404 806913606 /nfs/dbraw/zinc/91/36/06/806913606.db2.gz LLCVJAHPCAGXLJ-YJBOKZPZSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CCC(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541404 806913612 /nfs/dbraw/zinc/91/36/12/806913612.db2.gz LLCVJAHPCAGXLJ-YJBOKZPZSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC001256561533 806916583 /nfs/dbraw/zinc/91/65/83/806916583.db2.gz JSXZFNOCLGJFCV-MRXNPFEDSA-N 2 1 295.515 3.103 20 0 CGADMP c1ccc(CN2CCC([N@H+]3C[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001256603852 806923885 /nfs/dbraw/zinc/92/38/85/806923885.db2.gz JKOWFGCWAGPBFR-HDICACEKSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC([N@@H+]3C[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001256603852 806923892 /nfs/dbraw/zinc/92/38/92/806923892.db2.gz JKOWFGCWAGPBFR-HDICACEKSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC([N@H+]3C[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001256603852 806923898 /nfs/dbraw/zinc/92/38/98/806923898.db2.gz JKOWFGCWAGPBFR-HDICACEKSA-N 2 1 284.447 3.383 20 0 CGADMP CC1(C)[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256609425 806924739 /nfs/dbraw/zinc/92/47/39/806924739.db2.gz NQEIEZUTKAGDOK-HDICACEKSA-N 2 1 284.447 3.239 20 0 CGADMP CC1(C)[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256609425 806924742 /nfs/dbraw/zinc/92/47/42/806924742.db2.gz NQEIEZUTKAGDOK-HDICACEKSA-N 2 1 284.447 3.239 20 0 CGADMP CC(=O)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256616372 806925773 /nfs/dbraw/zinc/92/57/73/806925773.db2.gz RCNMFISNEPBIQM-ZBHOBAHQSA-N 2 1 286.419 3.165 20 0 CGADMP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC001256613251 806926224 /nfs/dbraw/zinc/92/62/24/806926224.db2.gz KCDLTXHNAHKXII-FUHWJXTLSA-N 2 1 270.420 3.135 20 0 CGADMP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC001256613251 806926227 /nfs/dbraw/zinc/92/62/27/806926227.db2.gz KCDLTXHNAHKXII-FUHWJXTLSA-N 2 1 270.420 3.135 20 0 CGADMP Cc1c[nH+]c(N2CCC(C[NH3+])(c3ccccc3)CC2)c(C)c1 ZINC001164439533 806946600 /nfs/dbraw/zinc/94/66/00/806946600.db2.gz QZTPKJMJHFKIPQ-UHFFFAOYSA-N 2 1 295.430 3.195 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC001116292821 802325277 /nfs/dbraw/zinc/32/52/77/802325277.db2.gz FQFNOGRAIBUZGN-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172381567 808275017 /nfs/dbraw/zinc/27/50/17/808275017.db2.gz FHHIHGHIXKNGDR-DMRKSPOLSA-N 2 1 264.457 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172381567 808275022 /nfs/dbraw/zinc/27/50/22/808275022.db2.gz FHHIHGHIXKNGDR-DMRKSPOLSA-N 2 1 264.457 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172381567 808275028 /nfs/dbraw/zinc/27/50/28/808275028.db2.gz FHHIHGHIXKNGDR-DMRKSPOLSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172846174 808458948 /nfs/dbraw/zinc/45/89/48/808458948.db2.gz SDTYKCCXTTXJDZ-OLZOCXBDSA-N 2 1 298.833 3.484 20 0 CGADMP CC(C)c1ocnc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001119325827 802649390 /nfs/dbraw/zinc/64/93/90/802649390.db2.gz TTZDTSWQVQFZII-UHFFFAOYSA-N 2 1 293.455 3.496 20 0 CGADMP CC(C)c1ocnc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001119325827 802649394 /nfs/dbraw/zinc/64/93/94/802649394.db2.gz TTZDTSWQVQFZII-UHFFFAOYSA-N 2 1 293.455 3.496 20 0 CGADMP CC1(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC(F)(F)C1 ZINC001256901331 807002250 /nfs/dbraw/zinc/00/22/50/807002250.db2.gz VKEQUTOMQZCPLO-CYBMUJFWSA-N 2 1 286.410 3.418 20 0 CGADMP CC1(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC(F)(F)C1 ZINC001256901331 807002255 /nfs/dbraw/zinc/00/22/55/807002255.db2.gz VKEQUTOMQZCPLO-CYBMUJFWSA-N 2 1 286.410 3.418 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC001206318690 813287556 /nfs/dbraw/zinc/28/75/56/813287556.db2.gz SRIOEYIKLKRQSG-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1CCCC2 ZINC001206812228 813443467 /nfs/dbraw/zinc/44/34/67/813443467.db2.gz YIJBXSVJNDIGND-LSDHHAIUSA-N 2 1 272.436 3.125 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206808697 813443886 /nfs/dbraw/zinc/44/38/86/813443886.db2.gz KBGXSGCYXJSOKM-CHWSQXEVSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206808697 813443890 /nfs/dbraw/zinc/44/38/90/813443890.db2.gz KBGXSGCYXJSOKM-CHWSQXEVSA-N 2 1 296.842 3.298 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206807368 813443993 /nfs/dbraw/zinc/44/39/93/813443993.db2.gz IPGCPKFGXCBKHG-KGLIPLIRSA-N 2 1 294.414 3.174 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206807368 813443994 /nfs/dbraw/zinc/44/39/94/813443994.db2.gz IPGCPKFGXCBKHG-KGLIPLIRSA-N 2 1 294.414 3.174 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2F ZINC001137058925 803676801 /nfs/dbraw/zinc/67/68/01/803676801.db2.gz FOPYMGJDVLQDMS-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(Cl)c1F)CC2 ZINC001137962649 803809055 /nfs/dbraw/zinc/80/90/55/803809055.db2.gz VLVOALLZWIJIGC-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(CCC3)C2)cc1 ZINC001138545266 803964326 /nfs/dbraw/zinc/96/43/26/803964326.db2.gz UMCHWSPFVWAQOO-UHFFFAOYSA-N 2 1 267.376 3.167 20 0 CGADMP CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC001138551466 803966141 /nfs/dbraw/zinc/96/61/41/803966141.db2.gz HVIPOGCXSZPOMK-KBXCAEBGSA-N 2 1 299.418 3.180 20 0 CGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC001138551466 803966148 /nfs/dbraw/zinc/96/61/48/803966148.db2.gz HVIPOGCXSZPOMK-KBXCAEBGSA-N 2 1 299.418 3.180 20 0 CGADMP CCCCOc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001138954086 804083582 /nfs/dbraw/zinc/08/35/82/804083582.db2.gz HNAYRNWTPYAGND-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CCCCOc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001138954086 804083597 /nfs/dbraw/zinc/08/35/97/804083597.db2.gz HNAYRNWTPYAGND-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2cccc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246071998 804110044 /nfs/dbraw/zinc/11/00/44/804110044.db2.gz NMRBQCZFLHJTGW-GJZGRUSLSA-N 2 1 264.388 3.225 20 0 CGADMP Fc1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246073109 804110184 /nfs/dbraw/zinc/11/01/84/804110184.db2.gz UOLOBUOHVURWBM-HNNXBMFYSA-N 2 1 276.399 3.370 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[NH2+]1 ZINC001246081938 804118618 /nfs/dbraw/zinc/11/86/18/804118618.db2.gz SXJXHIKGIJNKJF-HUUCEWRRSA-N 2 1 284.806 3.345 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC001246109678 804141770 /nfs/dbraw/zinc/14/17/70/804141770.db2.gz YRQKLTFIRGAVSP-NXEZZACHSA-N 2 1 258.768 3.128 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)CC(C)(C)C1 ZINC001246162498 804178646 /nfs/dbraw/zinc/17/86/46/804178646.db2.gz ZFEJYLBIPXMPEY-UIBIWLFHSA-N 2 1 294.483 3.092 20 0 CGADMP CCCC[C@H](Cc1ccccc1)NC[C@]1(F)CCC[NH2+]C1 ZINC001246168591 804183024 /nfs/dbraw/zinc/18/30/24/804183024.db2.gz DYJMOCSABNNIEU-MSOLQXFVSA-N 2 1 292.442 3.469 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246168591 804183029 /nfs/dbraw/zinc/18/30/29/804183029.db2.gz DYJMOCSABNNIEU-MSOLQXFVSA-N 2 1 292.442 3.469 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)C[NH2+]1 ZINC001246170704 804186275 /nfs/dbraw/zinc/18/62/75/804186275.db2.gz IZZUHSQEPBDQEG-XSCHDIRWSA-N 2 1 252.446 3.321 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246175184 804189743 /nfs/dbraw/zinc/18/97/43/804189743.db2.gz HLSGSFXUUYOWPS-ALXJQNPVSA-N 3 1 295.515 3.279 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246175184 804189747 /nfs/dbraw/zinc/18/97/47/804189747.db2.gz HLSGSFXUUYOWPS-ALXJQNPVSA-N 3 1 295.515 3.279 20 0 CGADMP CCCCC[C@@H](CCC)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246180159 804194023 /nfs/dbraw/zinc/19/40/23/804194023.db2.gz QDMGOSAEBVOGSR-HUUCEWRRSA-N 2 1 258.425 3.417 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001246198188 804204927 /nfs/dbraw/zinc/20/49/27/804204927.db2.gz DNIXVLADDOVDCS-NXEZZACHSA-N 2 1 275.223 3.251 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC1([NH3+])CC1 ZINC001246211214 804208510 /nfs/dbraw/zinc/20/85/10/804208510.db2.gz PZMYSQBXYAKQLS-JTQLQIEISA-N 2 1 287.234 3.395 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)CC[NH2+]2)cc1 ZINC001246223189 804217270 /nfs/dbraw/zinc/21/72/70/804217270.db2.gz QDYFFOQDDGQQBJ-CZIOMAOESA-N 2 1 270.420 3.258 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)C[C@@H]1C ZINC001246222849 804217505 /nfs/dbraw/zinc/21/75/05/804217505.db2.gz SIBWCEWSGDXXJS-RFGFWPKPSA-N 2 1 274.399 3.036 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246229049 804222517 /nfs/dbraw/zinc/22/25/17/804222517.db2.gz ZLLFUQJEAMDRMY-CABZTGNLSA-N 2 1 290.304 3.075 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC001246239350 804232113 /nfs/dbraw/zinc/23/21/13/804232113.db2.gz NAYIQMUVUIAJHO-DOMZBBRYSA-N 2 1 278.827 3.102 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC001246273479 804250203 /nfs/dbraw/zinc/25/02/03/804250203.db2.gz JGSLIZNRPNOZSA-WWGRRREGSA-N 2 1 264.388 3.253 20 0 CGADMP c1ccc([C@H]([NH2+][C@H]2CCCC[NH2+]C2)C2CCC2)cc1 ZINC001246286974 804260074 /nfs/dbraw/zinc/26/00/74/804260074.db2.gz JBMCMQNHPOHJRG-IRXDYDNUSA-N 2 1 258.409 3.260 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001246300704 804265640 /nfs/dbraw/zinc/26/56/40/804265640.db2.gz UIWIWKPQQFSJQR-JKSUJKDBSA-N 2 1 260.425 3.115 20 0 CGADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC001246308681 804271082 /nfs/dbraw/zinc/27/10/82/804271082.db2.gz HEULAVZSMKBUHK-FUNVUKJBSA-N 2 1 278.827 3.448 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246316829 804277885 /nfs/dbraw/zinc/27/78/85/804277885.db2.gz JHSBLMJLZCSCLT-ONGXEEELSA-N 2 1 290.785 3.266 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(O)cc2)CC[NH2+]1 ZINC001246325144 804283261 /nfs/dbraw/zinc/28/32/61/804283261.db2.gz ILTLYDDSMNRXTK-DKSSEZFCSA-N 2 1 296.414 3.212 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246331227 804285699 /nfs/dbraw/zinc/28/56/99/804285699.db2.gz MTYMKCJAWVQEOA-HNNXBMFYSA-N 2 1 254.462 3.425 20 0 CGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001246331933 804287626 /nfs/dbraw/zinc/28/76/26/804287626.db2.gz OXRIGCHFZNCFOK-CJNGLKHVSA-N 2 1 292.854 3.175 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCCCCCCCCCC[NH3+])C[NH2+]1 ZINC001246332034 804288140 /nfs/dbraw/zinc/28/81/40/804288140.db2.gz DAFURAKSTQKIHC-DLBZAZTESA-N 3 1 283.504 3.186 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246333646 804289368 /nfs/dbraw/zinc/28/93/68/804289368.db2.gz WEJVRNAZHATRKV-SWLSCSKDSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246345865 804296221 /nfs/dbraw/zinc/29/62/21/804296221.db2.gz OYISLGZLUWCXCO-YGRLFVJLSA-N 2 1 286.822 3.373 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246343714 804297076 /nfs/dbraw/zinc/29/70/76/804297076.db2.gz HFWVIIVZVNDBSV-DOMZBBRYSA-N 2 1 280.843 3.160 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC001139883169 804311173 /nfs/dbraw/zinc/31/11/73/804311173.db2.gz FMEOXZACUUPBDE-UHFFFAOYSA-N 2 1 284.447 3.482 20 0 CGADMP c1ccc([C@H](CC2CC2)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246403526 804321724 /nfs/dbraw/zinc/32/17/24/804321724.db2.gz GZLSQSJVWYVMPK-IRXDYDNUSA-N 2 1 258.409 3.260 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)C[NH2+]1 ZINC001246430649 804329162 /nfs/dbraw/zinc/32/91/62/804329162.db2.gz GSWJFTGQAIBEJV-BBRMVZONSA-N 2 1 278.415 3.125 20 0 CGADMP CC[C@@H](CC(C)C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246484966 804356186 /nfs/dbraw/zinc/35/61/86/804356186.db2.gz GBICABOAJZQBKU-OLZOCXBDSA-N 2 1 262.388 3.036 20 0 CGADMP CC[C@@H](C)[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140020716 804352876 /nfs/dbraw/zinc/35/28/76/804352876.db2.gz APZJLBQSYYMEMU-CYBMUJFWSA-N 2 1 257.381 3.411 20 0 CGADMP CC[C@@H](C)[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140020716 804352885 /nfs/dbraw/zinc/35/28/85/804352885.db2.gz APZJLBQSYYMEMU-CYBMUJFWSA-N 2 1 257.381 3.411 20 0 CGADMP CO[C@@H]1CCC[N@@H+](Cc2ccccc2-n2ccnc2C)CC1 ZINC001140025854 804355551 /nfs/dbraw/zinc/35/55/51/804355551.db2.gz DLGUADWZKKKSPM-QGZVFWFLSA-N 2 1 299.418 3.182 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC[NH2+]1 ZINC001246493863 804358997 /nfs/dbraw/zinc/35/89/97/804358997.db2.gz AYWJLHHBAIUYHS-KSZLIROESA-N 2 1 295.515 3.138 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246502938 804364279 /nfs/dbraw/zinc/36/42/79/804364279.db2.gz HTVYIQPKSVRUOE-KGLIPLIRSA-N 2 1 280.843 3.160 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC001246517832 804371206 /nfs/dbraw/zinc/37/12/06/804371206.db2.gz CHMZBWFYHSMQMD-IAGOWNOFSA-N 2 1 272.436 3.211 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC001246517842 804372572 /nfs/dbraw/zinc/37/25/72/804372572.db2.gz CHMZBWFYHSMQMD-SJORKVTESA-N 2 1 272.436 3.211 20 0 CGADMP C[C@H]1CCCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246518994 804372638 /nfs/dbraw/zinc/37/26/38/804372638.db2.gz KREBMBADIIEFIV-FHERZECASA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246519427 804374600 /nfs/dbraw/zinc/37/46/00/804374600.db2.gz NUNKYVLSGCTALN-QQFBHYJXSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246521293 804377090 /nfs/dbraw/zinc/37/70/90/804377090.db2.gz YQXWCHWTQQYGMX-XUWVNRHRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246521180 804377348 /nfs/dbraw/zinc/37/73/48/804377348.db2.gz XSIWXJVVOGZUNN-BARDWOONSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@H]1CCC[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246525389 804377635 /nfs/dbraw/zinc/37/76/35/804377635.db2.gz XCIIFEGNZVCDHF-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246531395 804383307 /nfs/dbraw/zinc/38/33/07/804383307.db2.gz QQGBQIQIILJVAI-BBWFWOEESA-N 2 1 258.409 3.136 20 0 CGADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246531399 804383824 /nfs/dbraw/zinc/38/38/24/804383824.db2.gz QQGBQIQIILJVAI-ULQDDVLXSA-N 2 1 258.409 3.136 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246531074 804384275 /nfs/dbraw/zinc/38/42/75/804384275.db2.gz MLPJZSZSDSEBNW-MUJYYYPQSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246545397 804394057 /nfs/dbraw/zinc/39/40/57/804394057.db2.gz KIWSSHZPSUGNIQ-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246547407 804395180 /nfs/dbraw/zinc/39/51/80/804395180.db2.gz IAHXSUFIROAOEP-CZUORRHYSA-N 2 1 298.833 3.424 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246549139 804397659 /nfs/dbraw/zinc/39/76/59/804397659.db2.gz HLIORTFPOMNHGC-GPANFISMSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246551104 804401107 /nfs/dbraw/zinc/40/11/07/804401107.db2.gz KREDBJWQCDONFB-PBHICJAKSA-N 2 1 294.389 3.025 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001246554296 804404109 /nfs/dbraw/zinc/40/41/09/804404109.db2.gz ZLYJHBAIPOEMOW-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP c1ccc([C@@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246555109 804404365 /nfs/dbraw/zinc/40/43/65/804404365.db2.gz DCUVPXZSMZKFCB-CEXWTWQISA-N 2 1 284.447 3.398 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001246554290 804404819 /nfs/dbraw/zinc/40/48/19/804404819.db2.gz ZLYJHBAIPOEMOW-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]1CC[N@H+](C2CC(C)(C)OC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246558138 804406871 /nfs/dbraw/zinc/40/68/71/804406871.db2.gz MEFJBUDRHBAHEX-ZIAGYGMSSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC(C)(C)CC2)CC[C@@H]1C[NH3+] ZINC001246559899 804407580 /nfs/dbraw/zinc/40/75/80/804407580.db2.gz PDNJAYZKZBFBMQ-UONOGXRCSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CSc3ccccc3C2)CC[C@H]1C[NH3+] ZINC001246558942 804408508 /nfs/dbraw/zinc/40/85/08/804408508.db2.gz OCZHIGVPGUUMEF-VNQPRFMTSA-N 2 1 290.476 3.010 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1-c1cccnc1 ZINC001140314345 804410319 /nfs/dbraw/zinc/41/03/19/804410319.db2.gz VAHZHNLSQOAZCD-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246560361 804410409 /nfs/dbraw/zinc/41/04/09/804410409.db2.gz CXHWZQIWGISOPQ-VHDGCEQUSA-N 2 1 292.854 3.257 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@](F)(C[NH3+])CC1)CC2 ZINC001246564706 804413014 /nfs/dbraw/zinc/41/30/14/804413014.db2.gz ZQHUSFSFROBCQI-QZTJIDSGSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246564009 804413678 /nfs/dbraw/zinc/41/36/78/804413678.db2.gz YMBMFOKPSVNRDB-YCPHGPKFSA-N 2 1 278.415 3.064 20 0 CGADMP CCCOC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246565025 804414139 /nfs/dbraw/zinc/41/41/39/804414139.db2.gz ZZBVYQMYMDQIDH-JUVOFCAFSA-N 2 1 282.472 3.031 20 0 CGADMP F[C@H]1CCCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246570126 804417484 /nfs/dbraw/zinc/41/74/84/804417484.db2.gz ZMVVDKABWCIRLT-AWEZNQCLSA-N 2 1 268.420 3.123 20 0 CGADMP Cc1cccc2c1C[N@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246569591 804417580 /nfs/dbraw/zinc/41/75/80/804417580.db2.gz WQHNANVBOFVTOQ-NVXWUHKLSA-N 2 1 272.436 3.477 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001246582168 804425642 /nfs/dbraw/zinc/42/56/42/804425642.db2.gz GAVIQLNETUSTBW-UAGQMJEPSA-N 2 1 278.415 3.077 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001246582168 804425648 /nfs/dbraw/zinc/42/56/48/804425648.db2.gz GAVIQLNETUSTBW-UAGQMJEPSA-N 2 1 278.415 3.077 20 0 CGADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001246580597 804426343 /nfs/dbraw/zinc/42/63/43/804426343.db2.gz XEHZFXFSLZQOPO-YJBOKZPZSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246584280 804427384 /nfs/dbraw/zinc/42/73/84/804427384.db2.gz IXVJIJUMIAAUJC-UGFHNGPFSA-N 2 1 284.806 3.032 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246584280 804427381 /nfs/dbraw/zinc/42/73/81/804427381.db2.gz IXVJIJUMIAAUJC-UGFHNGPFSA-N 2 1 284.806 3.032 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246584849 804427416 /nfs/dbraw/zinc/42/74/16/804427416.db2.gz VPNIUDZHLNBKMZ-MSOLQXFVSA-N 2 1 274.452 3.459 20 0 CGADMP CCCOC1CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246589168 804431657 /nfs/dbraw/zinc/43/16/57/804431657.db2.gz CRYMDYALGDNAOR-JCYILVPMSA-N 2 1 282.472 3.175 20 0 CGADMP CC(C)[N@@H+]([C@@H]1Cc2cccc(F)c2C1)[C@H]1CCC[NH2+]CC1 ZINC001246590581 804433971 /nfs/dbraw/zinc/43/39/71/804433971.db2.gz HDSRRDGYIVWMJC-JKSUJKDBSA-N 2 1 290.426 3.145 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001246590518 804434266 /nfs/dbraw/zinc/43/42/66/804434266.db2.gz UQWBABPLWKYIJL-NUEKZKHPSA-N 2 1 296.455 3.237 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001246590518 804434267 /nfs/dbraw/zinc/43/42/67/804434267.db2.gz UQWBABPLWKYIJL-NUEKZKHPSA-N 2 1 296.455 3.237 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001246595010 804435137 /nfs/dbraw/zinc/43/51/37/804435137.db2.gz XHENZTMNYQJUTD-RYQLBKOJSA-N 2 1 274.452 3.457 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC001246603123 804440049 /nfs/dbraw/zinc/44/00/49/804440049.db2.gz XNQRTXWXFDQULR-CWRNSKLLSA-N 2 1 258.409 3.136 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246603009 804440274 /nfs/dbraw/zinc/44/02/74/804440274.db2.gz LKIWKDBHINPQSF-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CC(C)CC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246602837 804440393 /nfs/dbraw/zinc/44/03/93/804440393.db2.gz CVLBGMICSZJZQA-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246611573 804445559 /nfs/dbraw/zinc/44/55/59/804445559.db2.gz GNNWBBNFJNXGCI-ZWKOTPCHSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246611573 804445563 /nfs/dbraw/zinc/44/55/63/804445563.db2.gz GNNWBBNFJNXGCI-ZWKOTPCHSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246611520 804445577 /nfs/dbraw/zinc/44/55/77/804445577.db2.gz GNNWBBNFJNXGCI-ROUUACIJSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246611520 804445579 /nfs/dbraw/zinc/44/55/79/804445579.db2.gz GNNWBBNFJNXGCI-ROUUACIJSA-N 3 1 295.515 3.105 20 0 CGADMP C1[C@@H]2C[C@@H]([N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)C[C@H]12 ZINC001246612458 804446775 /nfs/dbraw/zinc/44/67/75/804446775.db2.gz WILJDBAZYPSXKT-YVSFHVDLSA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)CC[C@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246616475 804451705 /nfs/dbraw/zinc/45/17/05/804451705.db2.gz WRSXONNAFROVFT-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617086 804451762 /nfs/dbraw/zinc/45/17/62/804451762.db2.gz XQKVWHUXCRHJRU-WOJBJXKFSA-N 2 1 298.474 3.460 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617086 804451767 /nfs/dbraw/zinc/45/17/67/804451767.db2.gz XQKVWHUXCRHJRU-WOJBJXKFSA-N 2 1 298.474 3.460 20 0 CGADMP CC(C)CCC[C@H](C)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246620388 804454147 /nfs/dbraw/zinc/45/41/47/804454147.db2.gz AVPPMFIITGJZCX-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246619925 804454208 /nfs/dbraw/zinc/45/42/08/804454208.db2.gz MTUNAJWKGPXHJE-HLLBOEOZSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)C[C@@H]1C ZINC001246622634 804455314 /nfs/dbraw/zinc/45/53/14/804455314.db2.gz RPVVMJYVKPUOSM-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246627353 804458346 /nfs/dbraw/zinc/45/83/46/804458346.db2.gz JEWOWCHNVYRROY-SQNIBIBYSA-N 2 1 272.436 3.224 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246627353 804458352 /nfs/dbraw/zinc/45/83/52/804458352.db2.gz JEWOWCHNVYRROY-SQNIBIBYSA-N 2 1 272.436 3.224 20 0 CGADMP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCC34CCCC4)CC[NH2+]2)cc1 ZINC001246626885 804458745 /nfs/dbraw/zinc/45/87/45/804458745.db2.gz UFEQXJDNEWGTMM-MSOLQXFVSA-N 2 1 284.447 3.368 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[NH2+]3)CC2)C[C@@H]1C ZINC001246626953 804459413 /nfs/dbraw/zinc/45/94/13/804459413.db2.gz VORILBNEWKIMRD-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246630148 804460204 /nfs/dbraw/zinc/46/02/04/804460204.db2.gz IFTBOCZCTNNTEZ-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246629765 804460697 /nfs/dbraw/zinc/46/06/97/804460697.db2.gz ZULPVEQPSQKOGI-BHDPWAOGSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246630441 804460719 /nfs/dbraw/zinc/46/07/19/804460719.db2.gz PCUGXRGBHSDAEK-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634747 804464045 /nfs/dbraw/zinc/46/40/45/804464045.db2.gz ORKKLTSVDLQBGP-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246634082 804464142 /nfs/dbraw/zinc/46/41/42/804464142.db2.gz ZUQQRERVONEQBR-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)CC[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246636244 804465290 /nfs/dbraw/zinc/46/52/90/804465290.db2.gz UITLHHCDFSZKIC-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246639370 804467262 /nfs/dbraw/zinc/46/72/62/804467262.db2.gz QQSSQMFKIZMNRF-ROUUACIJSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246640616 804467311 /nfs/dbraw/zinc/46/73/11/804467311.db2.gz ADVSBNCUDJEUIZ-RHSMWYFYSA-N 2 1 292.854 3.489 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246640616 804467315 /nfs/dbraw/zinc/46/73/15/804467315.db2.gz ADVSBNCUDJEUIZ-RHSMWYFYSA-N 2 1 292.854 3.489 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246639369 804467946 /nfs/dbraw/zinc/46/79/46/804467946.db2.gz QQSSQMFKIZMNRF-QZTJIDSGSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246643359 804470092 /nfs/dbraw/zinc/47/00/92/804470092.db2.gz GBCOPNTUEGQIAI-CZUORRHYSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645460 804471770 /nfs/dbraw/zinc/47/17/70/804471770.db2.gz BFMBCBIWNXRMSX-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645460 804471774 /nfs/dbraw/zinc/47/17/74/804471774.db2.gz BFMBCBIWNXRMSX-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246644356 804472065 /nfs/dbraw/zinc/47/20/65/804472065.db2.gz GTDXPGSLFUIEOP-FZBQFSLMSA-N 2 1 270.420 3.136 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246646217 804473773 /nfs/dbraw/zinc/47/37/73/804473773.db2.gz PAQXGGRNCBVCKO-QGZVFWFLSA-N 2 1 272.436 3.226 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246647255 804475009 /nfs/dbraw/zinc/47/50/09/804475009.db2.gz QLGRVNZYRXXVEK-SLTXQBBLSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647660 804476056 /nfs/dbraw/zinc/47/60/56/804476056.db2.gz MIKDJHAHRIFYKY-JJXSEGSLSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246649081 804476970 /nfs/dbraw/zinc/47/69/70/804476970.db2.gz OXXBWCFKQIGOMI-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246650667 804478813 /nfs/dbraw/zinc/47/88/13/804478813.db2.gz BDIDQRMNGGBJOK-RYRKJORJSA-N 2 1 296.499 3.434 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246654114 804480803 /nfs/dbraw/zinc/48/08/03/804480803.db2.gz ULMQTWMFPUTMRD-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246654169 804480814 /nfs/dbraw/zinc/48/08/14/804480814.db2.gz VHMKBPJEDFERLZ-WNRNVDISSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246657742 804481936 /nfs/dbraw/zinc/48/19/36/804481936.db2.gz IFNVPOZDNOQIOA-CQJJOKNBSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246657742 804481942 /nfs/dbraw/zinc/48/19/42/804481942.db2.gz IFNVPOZDNOQIOA-CQJJOKNBSA-N 2 1 298.474 3.472 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246656234 804482581 /nfs/dbraw/zinc/48/25/81/804482581.db2.gz CJIIIUZVAGPYMD-XSLAGTTESA-N 2 1 272.436 3.209 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001246660924 804483476 /nfs/dbraw/zinc/48/34/76/804483476.db2.gz QLEGPHZAROLINS-YRXWBPOGSA-N 2 1 284.447 3.397 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246659008 804484304 /nfs/dbraw/zinc/48/43/04/804484304.db2.gz QEGIBBRPAHOUCS-KURKYZTESA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246666205 804486574 /nfs/dbraw/zinc/48/65/74/804486574.db2.gz ICQIENJXDNMXRT-GUDVDZBRSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677585 804491567 /nfs/dbraw/zinc/49/15/67/804491567.db2.gz JTGRWCXWDIAVIX-OKZBNKHCSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246676966 804491888 /nfs/dbraw/zinc/49/18/88/804491888.db2.gz FNQONRPRWFALCP-VQHPVUNQSA-N 2 1 264.457 3.277 20 0 CGADMP C1[C@@H]2C[NH2+]CC[C@H]2[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246678737 804492582 /nfs/dbraw/zinc/49/25/82/804492582.db2.gz YLRAJXKEDHBTAP-HRCADAONSA-N 2 1 262.441 3.173 20 0 CGADMP c1ccc(C2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246692005 804499460 /nfs/dbraw/zinc/49/94/60/804499460.db2.gz SSRPSMIFZRKYOK-QGZVFWFLSA-N 2 1 258.409 3.008 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CC[NH2+]1 ZINC001246728454 804500316 /nfs/dbraw/zinc/50/03/16/804500316.db2.gz KBULCGMIWWBDCN-OWSLCNJRSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CC[NH2+]1 ZINC001246728455 804500352 /nfs/dbraw/zinc/50/03/52/804500352.db2.gz KBULCGMIWWBDCN-TVFCKZIOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)C[C@H](CC)[NH2+]1 ZINC001246726427 804501575 /nfs/dbraw/zinc/50/15/75/804501575.db2.gz DDGAHNYDKHDMOE-ZBRFXRBCSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246774276 804505388 /nfs/dbraw/zinc/50/53/88/804505388.db2.gz FPDFHHNVODUYRX-ZWKOTPCHSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246779247 804505800 /nfs/dbraw/zinc/50/58/00/804505800.db2.gz QXCSGBRPHFSCTL-CYGHRXIMSA-N 2 1 272.436 3.395 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2CCOC)C[C@H](CC)[NH2+]1 ZINC001246780988 804507864 /nfs/dbraw/zinc/50/78/64/804507864.db2.gz CZWYTCHGQCYAEN-YYIAUSFCSA-N 2 1 282.472 3.187 20 0 CGADMP C[N@@H+](CCOc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246780381 804508014 /nfs/dbraw/zinc/50/80/14/804508014.db2.gz MASDULSKIVYFRR-NVXWUHKLSA-N 2 1 290.451 3.164 20 0 CGADMP CC1(C)CC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246782462 804508820 /nfs/dbraw/zinc/50/88/20/804508820.db2.gz KMYHSQOVNNTQPH-JKSUJKDBSA-N 2 1 258.409 3.212 20 0 CGADMP CC1(C)CC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246782462 804508823 /nfs/dbraw/zinc/50/88/23/804508823.db2.gz KMYHSQOVNNTQPH-JKSUJKDBSA-N 2 1 258.409 3.212 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246790864 804512839 /nfs/dbraw/zinc/51/28/39/804512839.db2.gz ICDNARJUWOZREF-UHFFFAOYSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001246791252 804515070 /nfs/dbraw/zinc/51/50/70/804515070.db2.gz OCCOLRBCSJIYFJ-IUODEOHRSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001246791252 804515075 /nfs/dbraw/zinc/51/50/75/804515075.db2.gz OCCOLRBCSJIYFJ-IUODEOHRSA-N 2 1 266.816 3.475 20 0 CGADMP FC1(F)C[C@H]2C[N@@H+](Cc3cnc4cc[nH]cc3-4)C[C@H]2C1 ZINC001140801056 804520012 /nfs/dbraw/zinc/52/00/12/804520012.db2.gz AKPVCMUIBHQQHS-PHIMTYICSA-N 2 1 277.318 3.040 20 0 CGADMP FC1(F)C[C@H]2C[N@H+](Cc3cnc4cc[nH]cc3-4)C[C@H]2C1 ZINC001140801056 804520018 /nfs/dbraw/zinc/52/00/18/804520018.db2.gz AKPVCMUIBHQQHS-PHIMTYICSA-N 2 1 277.318 3.040 20 0 CGADMP FC1(F)C[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]2C1 ZINC001140801056 804520024 /nfs/dbraw/zinc/52/00/24/804520024.db2.gz AKPVCMUIBHQQHS-PHIMTYICSA-N 2 1 277.318 3.040 20 0 CGADMP FC1(F)C[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]2C1 ZINC001140801056 804520031 /nfs/dbraw/zinc/52/00/31/804520031.db2.gz AKPVCMUIBHQQHS-PHIMTYICSA-N 2 1 277.318 3.040 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246800457 804521307 /nfs/dbraw/zinc/52/13/07/804521307.db2.gz DYIAWXUVHMFFRK-KFWWJZLASA-N 2 1 276.399 3.146 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246803439 804523795 /nfs/dbraw/zinc/52/37/95/804523795.db2.gz KEOOEUHTPBFNIV-RISCZKNCSA-N 2 1 286.341 3.278 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2[C@@H]2CCC[NH2+]CC2)c1 ZINC001246807643 804525815 /nfs/dbraw/zinc/52/58/15/804525815.db2.gz OOBXFENHNJFKGV-SJLPKXTDSA-N 2 1 288.435 3.364 20 0 CGADMP Clc1ccccc1[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246811090 804528955 /nfs/dbraw/zinc/52/89/55/804528955.db2.gz RRFVPCWZEYVFFY-ZIAGYGMSSA-N 2 1 278.827 3.271 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](C)C[C@H]2C)CC[NH2+]1 ZINC001246811305 804529161 /nfs/dbraw/zinc/52/91/61/804529161.db2.gz SEJFUKXZQHQHBM-ZJIFWQFVSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246815682 804531693 /nfs/dbraw/zinc/53/16/93/804531693.db2.gz ZZJOUWBSTIJIEB-JQHSSLGASA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246824682 804536975 /nfs/dbraw/zinc/53/69/75/804536975.db2.gz QYMQGUHRUQALGC-OAHLLOKOSA-N 2 1 280.843 3.345 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246838568 804546235 /nfs/dbraw/zinc/54/62/35/804546235.db2.gz CYRKNAKGBJVHJU-DOMZBBRYSA-N 2 1 266.816 3.302 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246839397 804548805 /nfs/dbraw/zinc/54/88/05/804548805.db2.gz AVTVLTYZJISRAM-NZSAHSFTSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@H]1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246839357 804548957 /nfs/dbraw/zinc/54/89/57/804548957.db2.gz ABPPANFGUMOFCD-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246841209 804550272 /nfs/dbraw/zinc/55/02/72/804550272.db2.gz MZXIULVGMNISPO-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CC[NH2+]1 ZINC001246844424 804552383 /nfs/dbraw/zinc/55/23/83/804552383.db2.gz JGNYNFUCAGHIRH-CGTJXYLNSA-N 2 1 272.436 3.397 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246844823 804554163 /nfs/dbraw/zinc/55/41/63/804554163.db2.gz CXFDQMVHSXRVLU-GDBMZVCRSA-N 2 1 276.399 3.146 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CC)C2)C[C@H](CC)[NH2+]1 ZINC001246846547 804556469 /nfs/dbraw/zinc/55/64/69/804556469.db2.gz HOIZPDPBQHULLU-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC001246847706 804557310 /nfs/dbraw/zinc/55/73/10/804557310.db2.gz LUYXEEMPUDIGMW-BPUTZDHNSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC2(C)C)CC[NH2+]1 ZINC001246847563 804557679 /nfs/dbraw/zinc/55/76/79/804557679.db2.gz UJKYPQYKQVTHTO-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246848662 804558212 /nfs/dbraw/zinc/55/82/12/804558212.db2.gz YFWAIIZXQVUPQM-QZTJIDSGSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC001246851538 804561958 /nfs/dbraw/zinc/56/19/58/804561958.db2.gz KTSSUJWETJBRDL-DUVNUKRYSA-N 2 1 278.827 3.270 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC001246851545 804562521 /nfs/dbraw/zinc/56/25/21/804562521.db2.gz KTSSUJWETJBRDL-XNRPHZJLSA-N 2 1 278.827 3.270 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246858360 804563821 /nfs/dbraw/zinc/56/38/21/804563821.db2.gz FZBJZVIESLGZOL-FUDRRUEFSA-N 2 1 294.483 3.031 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC001246858554 804566094 /nfs/dbraw/zinc/56/60/94/804566094.db2.gz KEDFMVSNDLMVSX-JLVBRIDZSA-N 2 1 270.420 3.305 20 0 CGADMP C[N@@H+](CCC1CC1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246864587 804567438 /nfs/dbraw/zinc/56/74/38/804567438.db2.gz UKRKJKCFHBDTGU-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1CCC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246870407 804571463 /nfs/dbraw/zinc/57/14/63/804571463.db2.gz AUXOURKWEFCQLL-AITUJVMLSA-N 2 1 284.447 3.038 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246889444 804583097 /nfs/dbraw/zinc/58/30/97/804583097.db2.gz QHNUORHXIJJFNS-OTWHNJEPSA-N 2 1 286.463 3.470 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246899349 804586732 /nfs/dbraw/zinc/58/67/32/804586732.db2.gz DPTRBLJHGDZXNF-KSSFIOAISA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246899349 804586741 /nfs/dbraw/zinc/58/67/41/804586741.db2.gz DPTRBLJHGDZXNF-KSSFIOAISA-N 2 1 283.419 3.447 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246907936 804591613 /nfs/dbraw/zinc/59/16/13/804591613.db2.gz SLRCNQZYMJSOAA-ZSHCYNCHSA-N 2 1 278.827 3.445 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001246915472 804597932 /nfs/dbraw/zinc/59/79/32/804597932.db2.gz FTCFPHOUMMUPEI-GPANFISMSA-N 2 1 290.426 3.145 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001246922470 804602760 /nfs/dbraw/zinc/60/27/60/804602760.db2.gz WBDRTEKZBPNJFH-ZJPYXAASSA-N 2 1 276.468 3.421 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246933125 804606650 /nfs/dbraw/zinc/60/66/50/804606650.db2.gz QFYUMPKFXVAAMH-OAGGEKHMSA-N 2 1 250.430 3.053 20 0 CGADMP CCc1ccccc1CN1CCC([N@H+](C)CC)CC1 ZINC001141229126 804615718 /nfs/dbraw/zinc/61/57/18/804615718.db2.gz KEUPJHHNJONMRN-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001141229126 804615723 /nfs/dbraw/zinc/61/57/23/804615723.db2.gz KEUPJHHNJONMRN-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001141229126 804615726 /nfs/dbraw/zinc/61/57/26/804615726.db2.gz KEUPJHHNJONMRN-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP CCCCC[C@H](C)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246952013 804616002 /nfs/dbraw/zinc/61/60/02/804616002.db2.gz XJNSFYZMICZHGY-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]CC2)c1C ZINC001246967707 804621029 /nfs/dbraw/zinc/62/10/29/804621029.db2.gz NWBLAUXSJSHAIA-KRWDZBQOSA-N 2 1 272.436 3.410 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001246981794 804627749 /nfs/dbraw/zinc/62/77/49/804627749.db2.gz XUUUYHBFYCEBGZ-FUHWJXTLSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246998942 804634019 /nfs/dbraw/zinc/63/40/19/804634019.db2.gz ATUWLFAOEMZOKZ-KNXALSJPSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246998942 804634022 /nfs/dbraw/zinc/63/40/22/804634022.db2.gz ATUWLFAOEMZOKZ-KNXALSJPSA-N 2 1 280.362 3.242 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001247001784 804635966 /nfs/dbraw/zinc/63/59/66/804635966.db2.gz LFNOGNJVSJIVHA-YQQAZPJKSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247002703 804636205 /nfs/dbraw/zinc/63/62/05/804636205.db2.gz OCQSDJXHGRYZRO-LRDDRELGSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247002703 804636207 /nfs/dbraw/zinc/63/62/07/804636207.db2.gz OCQSDJXHGRYZRO-LRDDRELGSA-N 2 1 298.833 3.471 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247004480 804636290 /nfs/dbraw/zinc/63/62/90/804636290.db2.gz RTBMLYXRARQAGA-IRXDYDNUSA-N 2 1 260.425 3.069 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247005025 804637670 /nfs/dbraw/zinc/63/76/70/804637670.db2.gz SWSLDBJVONUPFH-ROUUACIJSA-N 2 1 274.452 3.459 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012449 804640119 /nfs/dbraw/zinc/64/01/19/804640119.db2.gz DSTLWFUDLKKRIJ-ARFHVFGLSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012449 804640122 /nfs/dbraw/zinc/64/01/22/804640122.db2.gz DSTLWFUDLKKRIJ-ARFHVFGLSA-N 2 1 250.430 3.195 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016524 804644698 /nfs/dbraw/zinc/64/46/98/804644698.db2.gz WUMKDXVUTSOITO-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016524 804644702 /nfs/dbraw/zinc/64/47/02/804644702.db2.gz WUMKDXVUTSOITO-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CN(Cc1ccc(C(F)F)cc1)C1CC[NH+](C)CC1 ZINC001143242719 804826052 /nfs/dbraw/zinc/82/60/52/804826052.db2.gz LJVCYAJJIHOFFM-UHFFFAOYSA-N 2 1 268.351 3.150 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001143590110 804870763 /nfs/dbraw/zinc/87/07/63/804870763.db2.gz OGIUEUKPZHHVPZ-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001143764620 804893402 /nfs/dbraw/zinc/89/34/02/804893402.db2.gz VQMZZUNFLVVVPU-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP Cc1noc2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc12 ZINC001248703074 804969688 /nfs/dbraw/zinc/96/96/88/804969688.db2.gz WNRQSUKMLRIXAP-UHFFFAOYSA-N 2 1 287.407 3.054 20 0 CGADMP Cc1noc2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc12 ZINC001248703074 804969694 /nfs/dbraw/zinc/96/96/94/804969694.db2.gz WNRQSUKMLRIXAP-UHFFFAOYSA-N 2 1 287.407 3.054 20 0 CGADMP CCCCCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001257369304 807128266 /nfs/dbraw/zinc/12/82/66/807128266.db2.gz WGGGDEXBYKAZDH-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001257369304 807128268 /nfs/dbraw/zinc/12/82/68/807128268.db2.gz WGGGDEXBYKAZDH-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001167827501 807255575 /nfs/dbraw/zinc/25/55/75/807255575.db2.gz XAONWYKEDRZYKW-ZWKOTPCHSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001167827501 807255582 /nfs/dbraw/zinc/25/55/82/807255582.db2.gz XAONWYKEDRZYKW-ZWKOTPCHSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001167824260 807256046 /nfs/dbraw/zinc/25/60/46/807256046.db2.gz CWKAFBPUFXLJLR-SJORKVTESA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)CCN1CCCCC1 ZINC001167838326 807259431 /nfs/dbraw/zinc/25/94/31/807259431.db2.gz SWCIWYBTJOAOON-SFHVURJKSA-N 2 1 297.531 3.305 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001258015162 807266078 /nfs/dbraw/zinc/26/60/78/807266078.db2.gz YSOIIZHCRZUNQL-SFHVURJKSA-N 2 1 287.451 3.339 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001258015162 807266086 /nfs/dbraw/zinc/26/60/86/807266086.db2.gz YSOIIZHCRZUNQL-SFHVURJKSA-N 2 1 287.451 3.339 20 0 CGADMP C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC001167931857 807276276 /nfs/dbraw/zinc/27/62/76/807276276.db2.gz QBSHWPAZRDZGNA-DZFIZOCASA-N 2 1 284.447 3.381 20 0 CGADMP C(C1CC1)[N@H+]1CCCC12CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167927794 807276353 /nfs/dbraw/zinc/27/63/53/807276353.db2.gz NTLXQGKHUGMFTQ-BJWYYQGGSA-N 2 1 274.452 3.125 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(N)cc1 ZINC001167969825 807288433 /nfs/dbraw/zinc/28/84/33/807288433.db2.gz FHSBLXVVWWKYQR-NZKYFMOASA-N 2 1 299.462 3.325 20 0 CGADMP C1=C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167975097 807291100 /nfs/dbraw/zinc/29/11/00/807291100.db2.gz GXDSJBIKCXPOQB-XYTVBORESA-N 2 1 260.425 3.090 20 0 CGADMP C1=CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975903 807291341 /nfs/dbraw/zinc/29/13/41/807291341.db2.gz ZUCWBSFMUVWJEF-XYTVBORESA-N 2 1 260.425 3.090 20 0 CGADMP CC(C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006773 807298216 /nfs/dbraw/zinc/29/82/16/807298216.db2.gz OROROAUMVRHFEI-SCAQPMJSSA-N 2 1 260.425 3.426 20 0 CGADMP CSCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012036 807301374 /nfs/dbraw/zinc/30/13/74/807301374.db2.gz UYOZYWLMCZXXOU-SCAQPMJSSA-N 2 1 292.492 3.381 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258097495 807306367 /nfs/dbraw/zinc/30/63/67/807306367.db2.gz LHABHHLVRPPWMF-OAHLLOKOSA-N 2 1 250.430 3.291 20 0 CGADMP CCC(C)(C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258132682 807319862 /nfs/dbraw/zinc/31/98/62/807319862.db2.gz KKEMXTWKKCVKQU-UHFFFAOYSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1C[C@@H](C)C[C@H](C)C1 ZINC001258170133 807335732 /nfs/dbraw/zinc/33/57/32/807335732.db2.gz JFSWIWLVXSKZRF-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H](Cc1ccco1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001258200776 807361315 /nfs/dbraw/zinc/36/13/15/807361315.db2.gz XEJONNIBDQCNPM-OAHLLOKOSA-N 2 1 276.424 3.161 20 0 CGADMP CSCC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258210023 807366068 /nfs/dbraw/zinc/36/60/68/807366068.db2.gz YQSMHKKEEIABNG-BPLDGKMQSA-N 2 1 270.486 3.110 20 0 CGADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297531 807374846 /nfs/dbraw/zinc/37/48/46/807374846.db2.gz BCPCPRVSUDQUHE-UHFFFAOYSA-N 3 1 297.531 3.351 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001168314436 807379921 /nfs/dbraw/zinc/37/99/21/807379921.db2.gz LBVWETFBAOWZIA-BPCQOVAHSA-N 2 1 296.352 3.083 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC3(CCCC3)C2)CC1 ZINC001168324648 807384319 /nfs/dbraw/zinc/38/43/19/807384319.db2.gz SOTUQSNHHOVCNS-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168328164 807385729 /nfs/dbraw/zinc/38/57/29/807385729.db2.gz YDPGCTJUKYYNJL-NNGSBXSVSA-N 2 1 272.436 3.306 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168334791 807387484 /nfs/dbraw/zinc/38/74/84/807387484.db2.gz WZEMGQKUTICNPT-OGVSOVDVSA-N 2 1 278.827 3.399 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168334791 807387492 /nfs/dbraw/zinc/38/74/92/807387492.db2.gz WZEMGQKUTICNPT-OGVSOVDVSA-N 2 1 278.827 3.399 20 0 CGADMP CCC[N@H+]([C@H](C)CC)C1CC[NH+](CC2CC2)CC1 ZINC001168371566 807396354 /nfs/dbraw/zinc/39/63/54/807396354.db2.gz OEGCOZBUUGDWAL-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[N@@H+]([C@H](C)CC)C1CC[NH+](CC2CC2)CC1 ZINC001168371566 807396363 /nfs/dbraw/zinc/39/63/63/807396363.db2.gz OEGCOZBUUGDWAL-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP FC1CC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378410 807397790 /nfs/dbraw/zinc/39/77/90/807397790.db2.gz NHAPXAZJQFKSLX-UHFFFAOYSA-N 2 1 280.431 3.075 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@@H](N)C1 ZINC001258295674 807401816 /nfs/dbraw/zinc/40/18/16/807401816.db2.gz PVROYELJEWXFLS-CHWSQXEVSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@H](N)C1 ZINC001258295674 807401818 /nfs/dbraw/zinc/40/18/18/807401818.db2.gz PVROYELJEWXFLS-CHWSQXEVSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001258295674 807401820 /nfs/dbraw/zinc/40/18/20/807401820.db2.gz PVROYELJEWXFLS-CHWSQXEVSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001258295674 807401823 /nfs/dbraw/zinc/40/18/23/807401823.db2.gz PVROYELJEWXFLS-CHWSQXEVSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@H](CC1CC1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258453800 807459483 /nfs/dbraw/zinc/45/94/83/807459483.db2.gz VXHQLUIKWCUVEL-CYBMUJFWSA-N 2 1 276.399 3.264 20 0 CGADMP C[C@@H](CC1CC1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258453095 807459726 /nfs/dbraw/zinc/45/97/26/807459726.db2.gz IQSFJBHRUDVSKT-ZDUSSCGKSA-N 2 1 276.399 3.264 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258663361 807531604 /nfs/dbraw/zinc/53/16/04/807531604.db2.gz RFNOJOHKQBWQHP-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258663361 807531610 /nfs/dbraw/zinc/53/16/10/807531610.db2.gz RFNOJOHKQBWQHP-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258663361 807531616 /nfs/dbraw/zinc/53/16/16/807531616.db2.gz RFNOJOHKQBWQHP-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169078815 807568013 /nfs/dbraw/zinc/56/80/13/807568013.db2.gz HMVMNNIRFURPEH-QDMKHBRRSA-N 2 1 298.352 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169078815 807568015 /nfs/dbraw/zinc/56/80/15/807568015.db2.gz HMVMNNIRFURPEH-QDMKHBRRSA-N 2 1 298.352 3.420 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169091163 807570913 /nfs/dbraw/zinc/57/09/13/807570913.db2.gz OMFONSJJTSVSHT-OSYLJGHBSA-N 2 1 288.435 3.190 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1C1CC1)C2 ZINC001169091863 807572082 /nfs/dbraw/zinc/57/20/82/807572082.db2.gz WNPDYNAPHPJRDP-OSYLJGHBSA-N 2 1 270.420 3.279 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C13CC4CC(CC(C4)C1)C3)C2 ZINC001169091408 807572106 /nfs/dbraw/zinc/57/21/06/807572106.db2.gz QKMBXWVYMRTPKC-DGDPGRMPSA-N 2 1 274.452 3.170 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169096745 807573927 /nfs/dbraw/zinc/57/39/27/807573927.db2.gz YCAIUNXZXGBYCR-BJWYYQGGSA-N 2 1 288.435 3.189 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169100247 807575543 /nfs/dbraw/zinc/57/55/43/807575543.db2.gz HIXSCWOEUTUUIN-CUSZFKRNSA-N 2 1 270.420 3.197 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(F)cc31)C2 ZINC001169100679 807576934 /nfs/dbraw/zinc/57/69/34/807576934.db2.gz LFKYEVPVFFKAES-MPTYRVRUSA-N 2 1 274.383 3.028 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cccc(F)c1)C1CC1)C2 ZINC001169115705 807580506 /nfs/dbraw/zinc/58/05/06/807580506.db2.gz NBRCLSZOUQCJKE-ZJPYXAASSA-N 2 1 288.410 3.492 20 0 CGADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2(C)C ZINC001169119060 807583146 /nfs/dbraw/zinc/58/31/46/807583146.db2.gz PMTMWTJKGQCGCA-UDDQLAMOSA-N 2 1 276.468 3.272 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCc3ccccc31)C2 ZINC001169120240 807583355 /nfs/dbraw/zinc/58/33/55/807583355.db2.gz ZYGPULXYHRSNQK-ZJPYXAASSA-N 2 1 284.447 3.321 20 0 CGADMP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169123846 807585236 /nfs/dbraw/zinc/58/52/36/807585236.db2.gz KVKIHOKUWBMKHH-GDBMZVCRSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC=C(c3ccccc3)CC1)C2 ZINC001169143585 807590981 /nfs/dbraw/zinc/59/09/81/807590981.db2.gz GJKNWVKKPLYTED-BWTSREIZSA-N 2 1 282.431 3.401 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC001169143585 807590982 /nfs/dbraw/zinc/59/09/82/807590982.db2.gz GJKNWVKKPLYTED-BWTSREIZSA-N 2 1 282.431 3.401 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC001169143585 807590984 /nfs/dbraw/zinc/59/09/84/807590984.db2.gz GJKNWVKKPLYTED-BWTSREIZSA-N 2 1 282.431 3.401 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146116 807593189 /nfs/dbraw/zinc/59/31/89/807593189.db2.gz OSXSJOQZJYLDAV-DZJNRPSUSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146116 807593192 /nfs/dbraw/zinc/59/31/92/807593192.db2.gz OSXSJOQZJYLDAV-DZJNRPSUSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146116 807593197 /nfs/dbraw/zinc/59/31/97/807593197.db2.gz OSXSJOQZJYLDAV-DZJNRPSUSA-N 2 1 288.410 3.240 20 0 CGADMP CCCN1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001258778162 807606590 /nfs/dbraw/zinc/60/65/90/807606590.db2.gz XNSPABQLADJQIA-SFHVURJKSA-N 2 1 272.436 3.480 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001258778162 807606596 /nfs/dbraw/zinc/60/65/96/807606596.db2.gz XNSPABQLADJQIA-SFHVURJKSA-N 2 1 272.436 3.480 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001258778162 807606601 /nfs/dbraw/zinc/60/66/01/807606601.db2.gz XNSPABQLADJQIA-SFHVURJKSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)COc2cc(C)cc(C)c2)CC1 ZINC001169220294 807607027 /nfs/dbraw/zinc/60/70/27/807607027.db2.gz JAONUKSASUAYAI-MRXNPFEDSA-N 2 1 290.451 3.145 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC1 ZINC001169229898 807610143 /nfs/dbraw/zinc/61/01/43/807610143.db2.gz KMENEDJFSZQSOF-UHFFFAOYSA-N 2 1 282.378 3.274 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258795689 807617844 /nfs/dbraw/zinc/61/78/44/807617844.db2.gz SZNONINSVJSZEC-ZBFHGGJFSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C(C)(C)Cc2ccccc2)CC1 ZINC001169262353 807618230 /nfs/dbraw/zinc/61/82/30/807618230.db2.gz ZBINFOFZISMGJA-UHFFFAOYSA-N 2 1 274.452 3.424 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C(C)(C)Cc2ccccc2)CC1 ZINC001169262353 807618234 /nfs/dbraw/zinc/61/82/34/807618234.db2.gz ZBINFOFZISMGJA-UHFFFAOYSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001258797195 807618693 /nfs/dbraw/zinc/61/86/93/807618693.db2.gz KUUORUQSVQWARL-VGWMRTNUSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC001258901907 807670077 /nfs/dbraw/zinc/67/00/77/807670077.db2.gz PRCQSWXUMMSATM-MRXNPFEDSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258904963 807670949 /nfs/dbraw/zinc/67/09/49/807670949.db2.gz SKGGSOLZIANSNY-BZSNNMDCSA-N 3 1 297.531 3.477 20 0 CGADMP Fc1ccc2c(cc[nH+]c2NCC23CC[NH+](CC2)CC3)c1 ZINC001169794384 807710132 /nfs/dbraw/zinc/71/01/32/807710132.db2.gz KTFXCYGIINEUMP-UHFFFAOYSA-N 2 1 285.366 3.272 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001170071801 807747843 /nfs/dbraw/zinc/74/78/43/807747843.db2.gz VNZYTLJDNLVQTG-FUHWJXTLSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001170071801 807747848 /nfs/dbraw/zinc/74/78/48/807747848.db2.gz VNZYTLJDNLVQTG-FUHWJXTLSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170091616 807756230 /nfs/dbraw/zinc/75/62/30/807756230.db2.gz UMWYDIHQJNHBEL-OAGGEKHMSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170091616 807756232 /nfs/dbraw/zinc/75/62/32/807756232.db2.gz UMWYDIHQJNHBEL-OAGGEKHMSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170091616 807756233 /nfs/dbraw/zinc/75/62/33/807756233.db2.gz UMWYDIHQJNHBEL-OAGGEKHMSA-N 2 1 252.446 3.085 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC001170160983 807782976 /nfs/dbraw/zinc/78/29/76/807782976.db2.gz LDVAYXNFXUIUAK-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP CCCCCC[C@H](CC)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001170585107 807860776 /nfs/dbraw/zinc/86/07/76/807860776.db2.gz BBKRWMPMJJQDHM-KRWDZBQOSA-N 3 1 285.520 3.338 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001170585107 807860783 /nfs/dbraw/zinc/86/07/83/807860783.db2.gz BBKRWMPMJJQDHM-KRWDZBQOSA-N 3 1 285.520 3.338 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715560 807882527 /nfs/dbraw/zinc/88/25/27/807882527.db2.gz LZGMZFGFUIOEBS-OAHLLOKOSA-N 2 1 296.405 3.096 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@@H](CCC[NH3+])C3)C[C@@H]21 ZINC001170736253 807894284 /nfs/dbraw/zinc/89/42/84/807894284.db2.gz IYPUMFLJOBKLRW-JONQDZQNSA-N 2 1 264.457 3.262 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170914157 807932467 /nfs/dbraw/zinc/93/24/67/807932467.db2.gz HMNCTWIXNXJPSW-MRRJBJDNSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170914157 807932470 /nfs/dbraw/zinc/93/24/70/807932470.db2.gz HMNCTWIXNXJPSW-MRRJBJDNSA-N 2 1 292.854 3.127 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171017203 807961832 /nfs/dbraw/zinc/96/18/32/807961832.db2.gz GQXSOEXTIOKVQP-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171097318 807982878 /nfs/dbraw/zinc/98/28/78/807982878.db2.gz XXTSQACVSMLBHN-SJORKVTESA-N 2 1 292.854 3.271 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171398615 808045638 /nfs/dbraw/zinc/04/56/38/808045638.db2.gz YZHLPNBLRMAFQN-INIZCTEOSA-N 2 1 292.442 3.395 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCc3cccnc3C2)CC1(C)C ZINC001171642784 808111676 /nfs/dbraw/zinc/11/16/76/808111676.db2.gz NHWIKOBLXCBYBC-UHFFFAOYSA-N 2 1 287.451 3.091 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3cccnc3C2)CC1(C)C ZINC001171642784 808111679 /nfs/dbraw/zinc/11/16/79/808111679.db2.gz NHWIKOBLXCBYBC-UHFFFAOYSA-N 2 1 287.451 3.091 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC001172098529 808169860 /nfs/dbraw/zinc/16/98/60/808169860.db2.gz ALAOIPHBGUPNIS-MUJYYYPQSA-N 2 1 278.827 3.445 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C)CCCC1)C2 ZINC001172101451 808171537 /nfs/dbraw/zinc/17/15/37/808171537.db2.gz YKDNZJNJVHRYJN-QDMKHBRRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172099769 808172034 /nfs/dbraw/zinc/17/20/34/808172034.db2.gz KAWVLEHLJMPVLX-OSMBCOQSSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172099769 808172036 /nfs/dbraw/zinc/17/20/36/808172036.db2.gz KAWVLEHLJMPVLX-OSMBCOQSSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(O)cc1 ZINC001172105425 808177300 /nfs/dbraw/zinc/17/73/00/808177300.db2.gz HWCOPVRTRDVOSL-HNKHHVNMSA-N 2 1 274.408 3.058 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001172105425 808177304 /nfs/dbraw/zinc/17/73/04/808177304.db2.gz HWCOPVRTRDVOSL-HNKHHVNMSA-N 2 1 274.408 3.058 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)C2 ZINC001172110787 808178069 /nfs/dbraw/zinc/17/80/69/808178069.db2.gz PECRUPUIWWTKII-MHORFTMASA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)C2 ZINC001172110787 808178073 /nfs/dbraw/zinc/17/80/73/808178073.db2.gz PECRUPUIWWTKII-MHORFTMASA-N 2 1 285.435 3.138 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cncc(Cl)c1 ZINC001172108973 808178414 /nfs/dbraw/zinc/17/84/14/808178414.db2.gz FZWZKVNZWLCDDF-MPESAESLSA-N 2 1 293.842 3.401 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CC1CCOCC1)C2 ZINC001172110391 808178468 /nfs/dbraw/zinc/17/84/68/808178468.db2.gz MCWKUMLXJCPELZ-OSYLJGHBSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CC1CCOCC1)C2 ZINC001172110391 808178469 /nfs/dbraw/zinc/17/84/69/808178469.db2.gz MCWKUMLXJCPELZ-OSYLJGHBSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129418 808187015 /nfs/dbraw/zinc/18/70/15/808187015.db2.gz ZNEQJWMBWDMIOS-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129418 808187019 /nfs/dbraw/zinc/18/70/19/808187019.db2.gz ZNEQJWMBWDMIOS-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129418 808187022 /nfs/dbraw/zinc/18/70/22/808187022.db2.gz ZNEQJWMBWDMIOS-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129418 808187025 /nfs/dbraw/zinc/18/70/25/808187025.db2.gz ZNEQJWMBWDMIOS-LVQVYYBASA-N 2 1 250.430 3.124 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131253 808187728 /nfs/dbraw/zinc/18/77/28/808187728.db2.gz VNURUXNKRLHUSU-FXUDXRNXSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131253 808187734 /nfs/dbraw/zinc/18/77/34/808187734.db2.gz VNURUXNKRLHUSU-FXUDXRNXSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131253 808187737 /nfs/dbraw/zinc/18/77/37/808187737.db2.gz VNURUXNKRLHUSU-FXUDXRNXSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131253 808187741 /nfs/dbraw/zinc/18/77/41/808187741.db2.gz VNURUXNKRLHUSU-FXUDXRNXSA-N 2 1 250.430 3.122 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172322093 808231992 /nfs/dbraw/zinc/23/19/92/808231992.db2.gz RQIOAXHCXLBJNB-JKSUJKDBSA-N 2 1 272.477 3.292 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172322093 808231996 /nfs/dbraw/zinc/23/19/96/808231996.db2.gz RQIOAXHCXLBJNB-JKSUJKDBSA-N 2 1 272.477 3.292 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172341527 808241680 /nfs/dbraw/zinc/24/16/80/808241680.db2.gz GVEZHEDIMBSZLT-QUSNUVHPSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172341527 808241688 /nfs/dbraw/zinc/24/16/88/808241688.db2.gz GVEZHEDIMBSZLT-QUSNUVHPSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001172346496 808245189 /nfs/dbraw/zinc/24/51/89/808245189.db2.gz CLASFPXHEWFMRW-LTIDMASMSA-N 2 1 284.488 3.289 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001172363537 808258364 /nfs/dbraw/zinc/25/83/64/808258364.db2.gz KVEACMOBCXWVTB-FFWIBEFTSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172363537 808258371 /nfs/dbraw/zinc/25/83/71/808258371.db2.gz KVEACMOBCXWVTB-FFWIBEFTSA-N 2 1 264.457 3.416 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172373457 808268217 /nfs/dbraw/zinc/26/82/17/808268217.db2.gz MKTQDFIFCYEESJ-OFQRWUPVSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172373457 808268221 /nfs/dbraw/zinc/26/82/21/808268221.db2.gz MKTQDFIFCYEESJ-OFQRWUPVSA-N 2 1 252.446 3.227 20 0 CGADMP CCCCCC[C@@H](CCC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001172391325 808282350 /nfs/dbraw/zinc/28/23/50/808282350.db2.gz QJYFPIOFTJLXIA-QZTJIDSGSA-N 2 1 295.515 3.138 20 0 CGADMP CC[C@H](CC(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172396695 808285801 /nfs/dbraw/zinc/28/58/01/808285801.db2.gz WJNJHAGWYYRQKW-LVQVYYBASA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@H](CC(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172396695 808285804 /nfs/dbraw/zinc/28/58/04/808285804.db2.gz WJNJHAGWYYRQKW-LVQVYYBASA-N 2 1 252.446 3.416 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)CCOCC(C)C ZINC001172456635 808327954 /nfs/dbraw/zinc/32/79/54/808327954.db2.gz GTPAOUOQKAOSTG-MRXNPFEDSA-N 2 1 272.477 3.149 20 0 CGADMP CCCCCC[C@H](CCCC)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001172517184 808370023 /nfs/dbraw/zinc/37/00/23/808370023.db2.gz PNXYBVKYKZKAEJ-JKSUJKDBSA-N 2 1 270.461 3.175 20 0 CGADMP CCCCCC[C@H](CCCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172517184 808370035 /nfs/dbraw/zinc/37/00/35/808370035.db2.gz PNXYBVKYKZKAEJ-JKSUJKDBSA-N 2 1 270.461 3.175 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546086 808375093 /nfs/dbraw/zinc/37/50/93/808375093.db2.gz JPHCMQCGZWKHRA-IAGOWNOFSA-N 2 1 260.425 3.384 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)[C@H](C)C1 ZINC001172654634 808409051 /nfs/dbraw/zinc/40/90/51/808409051.db2.gz JGIPABNRYUWJLI-GDBMZVCRSA-N 2 1 296.499 3.431 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)n1cc[nH+]c1CCC[NH3+] ZINC001172865253 808469125 /nfs/dbraw/zinc/46/91/25/808469125.db2.gz KVYQHKGMODQPBB-NSHDSACASA-N 2 1 295.789 3.371 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)CSc1ccc(Cl)cc1 ZINC001172881290 808475125 /nfs/dbraw/zinc/47/51/25/808475125.db2.gz ZTMDXWOCLFDXIV-VXGBXAGGSA-N 2 1 286.872 3.347 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3CCCO[C@H]3C2)CC1 ZINC001173108354 808512586 /nfs/dbraw/zinc/51/25/86/808512586.db2.gz CPQGXPXGODFFQT-BFWZDYSYSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N(C)C(C)C)C2)CC1 ZINC001173113910 808513830 /nfs/dbraw/zinc/51/38/30/808513830.db2.gz ONDDYRSVLRTKHJ-DAWZGUTISA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+](CC)C1CCC(N2CC[C@@H]([N@H+](C)C(C)C)C2)CC1 ZINC001173113910 808513833 /nfs/dbraw/zinc/51/38/33/808513833.db2.gz ONDDYRSVLRTKHJ-DAWZGUTISA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+](CC)C1CCC(N2CC[C@@H]([N@@H+](C)C(C)C)C2)CC1 ZINC001173113910 808513835 /nfs/dbraw/zinc/51/38/35/808513835.db2.gz ONDDYRSVLRTKHJ-DAWZGUTISA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001173114782 808514706 /nfs/dbraw/zinc/51/47/06/808514706.db2.gz SKYXLDMMRKINST-SLTXQBBLSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001173275766 808578574 /nfs/dbraw/zinc/57/85/74/808578574.db2.gz SYOZACZHKPMCKL-UVPYHEFZSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001173275766 808578577 /nfs/dbraw/zinc/57/85/77/808578577.db2.gz SYOZACZHKPMCKL-UVPYHEFZSA-N 2 1 250.430 3.170 20 0 CGADMP CCSC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001173290701 808591054 /nfs/dbraw/zinc/59/10/54/808591054.db2.gz FQKRMMONJIDLOM-RDJZCZTQSA-N 2 1 292.492 3.240 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001173312245 808606490 /nfs/dbraw/zinc/60/64/90/808606490.db2.gz RYJVZFWVWYNQGZ-CYBMUJFWSA-N 2 1 288.476 3.026 20 0 CGADMP CC[N@H+]1CC[C@H](n2cc(C(C)(C)C[NH3+])c3ccccc32)C1 ZINC001173353321 808628620 /nfs/dbraw/zinc/62/86/20/808628620.db2.gz KPGGDTRHZHTJSN-AWEZNQCLSA-N 2 1 285.435 3.144 20 0 CGADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3c2cccc3Cl)C1 ZINC001173357911 808629359 /nfs/dbraw/zinc/62/93/59/808629359.db2.gz LKFOCDUKMUVJFI-ZDUSSCGKSA-N 2 1 291.826 3.063 20 0 CGADMP CC[N@@H+]1CC[C@H](n2ccc([C@H](C)[NH2+]Cc3ccccc3)n2)C1 ZINC001173371043 808633484 /nfs/dbraw/zinc/63/34/84/808633484.db2.gz KEUSMOZDTOZVLC-RDJZCZTQSA-N 2 1 298.434 3.001 20 0 CGADMP CC[N@H+]1CC[C@H](n2ccc([C@H](C)[NH2+]Cc3ccccc3)n2)C1 ZINC001173371043 808633488 /nfs/dbraw/zinc/63/34/88/808633488.db2.gz KEUSMOZDTOZVLC-RDJZCZTQSA-N 2 1 298.434 3.001 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3c[nH]c4ccccc34)C2)C1 ZINC001275046996 808900677 /nfs/dbraw/zinc/90/06/77/808900677.db2.gz MCNQZSZTDCXKDB-LJQANCHMSA-N 2 1 297.446 3.128 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3c[nH]c4ccccc34)C2)C1 ZINC001275046996 808900684 /nfs/dbraw/zinc/90/06/84/808900684.db2.gz MCNQZSZTDCXKDB-LJQANCHMSA-N 2 1 297.446 3.128 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3c[nH]c4ccccc34)C2)C1 ZINC001275046996 808900691 /nfs/dbraw/zinc/90/06/91/808900691.db2.gz MCNQZSZTDCXKDB-LJQANCHMSA-N 2 1 297.446 3.128 20 0 CGADMP CCc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001275057007 808901235 /nfs/dbraw/zinc/90/12/35/808901235.db2.gz HKWVFJUUKRPNMR-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001275057007 808901241 /nfs/dbraw/zinc/90/12/41/808901241.db2.gz HKWVFJUUKRPNMR-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001275057007 808901250 /nfs/dbraw/zinc/90/12/50/808901250.db2.gz HKWVFJUUKRPNMR-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275069718 808903204 /nfs/dbraw/zinc/90/32/04/808903204.db2.gz OLHMMZBUMOEBNG-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275069718 808903208 /nfs/dbraw/zinc/90/32/08/808903208.db2.gz OLHMMZBUMOEBNG-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275069718 808903215 /nfs/dbraw/zinc/90/32/15/808903215.db2.gz OLHMMZBUMOEBNG-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)c1 ZINC001275153569 808916740 /nfs/dbraw/zinc/91/67/40/808916740.db2.gz MBXNQSVLWOWWHG-AYHJJNSGSA-N 2 1 287.451 3.290 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1 ZINC001275182459 808920168 /nfs/dbraw/zinc/92/01/68/808920168.db2.gz WQKCAKAKOFCGLF-SFHVURJKSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC001275182459 808920174 /nfs/dbraw/zinc/92/01/74/808920174.db2.gz WQKCAKAKOFCGLF-SFHVURJKSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC001275182459 808920179 /nfs/dbraw/zinc/92/01/79/808920179.db2.gz WQKCAKAKOFCGLF-SFHVURJKSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC001275182459 808920183 /nfs/dbraw/zinc/92/01/83/808920183.db2.gz WQKCAKAKOFCGLF-SFHVURJKSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccco2)C3)c1 ZINC001275236508 808922579 /nfs/dbraw/zinc/92/25/79/808922579.db2.gz VDIZWWRUTFECII-SFHVURJKSA-N 2 1 299.418 3.096 20 0 CGADMP c1c[nH]c(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccco2)C3)c1 ZINC001275236508 808922583 /nfs/dbraw/zinc/92/25/83/808922583.db2.gz VDIZWWRUTFECII-SFHVURJKSA-N 2 1 299.418 3.096 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)ccc1O ZINC001275306144 808928875 /nfs/dbraw/zinc/92/88/75/808928875.db2.gz BFJOPANXGVFTSY-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)ccc1O ZINC001275306144 808928880 /nfs/dbraw/zinc/92/88/80/808928880.db2.gz BFJOPANXGVFTSY-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1O ZINC001275306144 808928885 /nfs/dbraw/zinc/92/88/85/808928885.db2.gz BFJOPANXGVFTSY-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1O ZINC001275306144 808928888 /nfs/dbraw/zinc/92/88/88/808928888.db2.gz BFJOPANXGVFTSY-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccnc(Cl)c3F)(C1)CCC2 ZINC001275357727 808932078 /nfs/dbraw/zinc/93/20/78/808932078.db2.gz CFCCXRRIWRAPDC-LSDHHAIUSA-N 2 1 297.805 3.029 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C)nc3Cl)(C1)CCC2 ZINC001275740814 808961221 /nfs/dbraw/zinc/96/12/21/808961221.db2.gz RVKCFTYUNXJLDC-JKSUJKDBSA-N 2 1 293.842 3.198 20 0 CGADMP Cc1ccsc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275859601 808971330 /nfs/dbraw/zinc/97/13/30/808971330.db2.gz NCAPKVWUMAZZCP-INIZCTEOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275859601 808971333 /nfs/dbraw/zinc/97/13/33/808971333.db2.gz NCAPKVWUMAZZCP-INIZCTEOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275859601 808971337 /nfs/dbraw/zinc/97/13/37/808971337.db2.gz NCAPKVWUMAZZCP-INIZCTEOSA-N 2 1 278.465 3.364 20 0 CGADMP C[C@H]1C[C@@H]1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276035606 808986687 /nfs/dbraw/zinc/98/66/87/808986687.db2.gz WYPZOBOORSMKTM-DOTOQJQBSA-N 2 1 284.447 3.122 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001276171262 808990487 /nfs/dbraw/zinc/99/04/87/808990487.db2.gz IJQOBGBWLOJIPX-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(CCC[NH+]2CCC3(CCC[N@H+](C)C3)CC2)o1 ZINC001276444070 809009752 /nfs/dbraw/zinc/00/97/52/809009752.db2.gz CHFBIQUGVDQZIJ-UHFFFAOYSA-N 2 1 290.451 3.328 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)c1ccc(C)o1 ZINC001276471003 809011172 /nfs/dbraw/zinc/01/11/72/809011172.db2.gz WJLMAQXOKIWDJQ-OHRKKDJYSA-N 2 1 276.424 3.296 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)CC1 ZINC001276472441 809012601 /nfs/dbraw/zinc/01/26/01/809012601.db2.gz MTFZNCHTXKMGBU-XDNAFOTISA-N 2 1 276.468 3.252 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)CC1 ZINC001276472441 809012608 /nfs/dbraw/zinc/01/26/08/809012608.db2.gz MTFZNCHTXKMGBU-XDNAFOTISA-N 2 1 276.468 3.252 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)CC1 ZINC001276472441 809012615 /nfs/dbraw/zinc/01/26/15/809012615.db2.gz MTFZNCHTXKMGBU-XDNAFOTISA-N 2 1 276.468 3.252 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276527178 809014654 /nfs/dbraw/zinc/01/46/54/809014654.db2.gz IEZICJYEBFSSGU-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)CCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276527178 809014661 /nfs/dbraw/zinc/01/46/61/809014661.db2.gz IEZICJYEBFSSGU-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)CCC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276527178 809014666 /nfs/dbraw/zinc/01/46/66/809014666.db2.gz IEZICJYEBFSSGU-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759159 809028889 /nfs/dbraw/zinc/02/88/89/809028889.db2.gz JPGQVLSLSJKUDR-MHORFTMASA-N 2 1 274.452 3.006 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759159 809028895 /nfs/dbraw/zinc/02/88/95/809028895.db2.gz JPGQVLSLSJKUDR-MHORFTMASA-N 2 1 274.452 3.006 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759159 809028904 /nfs/dbraw/zinc/02/89/04/809028904.db2.gz JPGQVLSLSJKUDR-MHORFTMASA-N 2 1 274.452 3.006 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276762945 809029692 /nfs/dbraw/zinc/02/96/92/809029692.db2.gz ABIFPVMQUJZBGH-BBWFWOEESA-N 2 1 286.463 3.149 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(C)ccc12 ZINC001276753854 809029719 /nfs/dbraw/zinc/02/97/19/809029719.db2.gz OIJZLFUJIBPFPY-MQVJKMGUSA-N 2 1 283.419 3.191 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2ccoc21 ZINC001276791571 809031184 /nfs/dbraw/zinc/03/11/84/809031184.db2.gz ZLLPFQHGPILNLT-MQVJKMGUSA-N 2 1 270.376 3.148 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc21 ZINC001276846754 809038587 /nfs/dbraw/zinc/03/85/87/809038587.db2.gz WDRSKRNHBUFBEK-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2ccc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc21 ZINC001276846754 809038595 /nfs/dbraw/zinc/03/85/95/809038595.db2.gz WDRSKRNHBUFBEK-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2ccc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc21 ZINC001276846754 809038603 /nfs/dbraw/zinc/03/86/03/809038603.db2.gz WDRSKRNHBUFBEK-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cncc(C4CC4)c3)CC2)C1 ZINC001277624395 809084932 /nfs/dbraw/zinc/08/49/32/809084932.db2.gz BPXNXDWRIKVCDD-UHFFFAOYSA-N 2 1 299.462 3.267 20 0 CGADMP FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](C3CC3)C[C@H]2CC1 ZINC001277922417 809104972 /nfs/dbraw/zinc/10/49/72/809104972.db2.gz LKBNFLBEPNOTHF-BETUJISGSA-N 2 1 290.373 3.135 20 0 CGADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](C3CC3)C[C@H]2CC1 ZINC001277922417 809104973 /nfs/dbraw/zinc/10/49/73/809104973.db2.gz LKBNFLBEPNOTHF-BETUJISGSA-N 2 1 290.373 3.135 20 0 CGADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](C3CC3)C[C@H]2CC1 ZINC001277922417 809104978 /nfs/dbraw/zinc/10/49/78/809104978.db2.gz LKBNFLBEPNOTHF-BETUJISGSA-N 2 1 290.373 3.135 20 0 CGADMP C[C@@H](C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1)CC(F)(F)F ZINC001278183273 809118141 /nfs/dbraw/zinc/11/81/41/809118141.db2.gz DRFTUVCBBXVSAA-CYBMUJFWSA-N 2 1 292.389 3.383 20 0 CGADMP C[N@H+]1CCC=C(Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC001175578937 809460133 /nfs/dbraw/zinc/46/01/33/809460133.db2.gz LIKQCTLEZCHFTP-UHFFFAOYSA-N 2 1 285.435 3.304 20 0 CGADMP C[C@H]1C[N@@H+](CCCC2CCC2)CCN1c1cc[nH+]cc1 ZINC001175774829 809540212 /nfs/dbraw/zinc/54/02/12/809540212.db2.gz KKOYUGJBKZAPHP-HNNXBMFYSA-N 2 1 273.424 3.172 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008507 809774906 /nfs/dbraw/zinc/77/49/06/809774906.db2.gz LDPAIZXKFFCWOC-OKZBNKHCSA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177008507 809774909 /nfs/dbraw/zinc/77/49/09/809774909.db2.gz LDPAIZXKFFCWOC-OKZBNKHCSA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177008507 809774912 /nfs/dbraw/zinc/77/49/12/809774912.db2.gz LDPAIZXKFFCWOC-OKZBNKHCSA-N 2 1 278.484 3.476 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001177222803 809788558 /nfs/dbraw/zinc/78/85/58/809788558.db2.gz QAOJSDCDBYRZRC-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2C)C1 ZINC001177487639 809801438 /nfs/dbraw/zinc/80/14/38/809801438.db2.gz IQZLNNFATGXNCO-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001177743020 809818302 /nfs/dbraw/zinc/81/83/02/809818302.db2.gz KCPLFBZJUWDKGM-QGZVFWFLSA-N 2 1 286.463 3.385 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCC2 ZINC001178387109 809862707 /nfs/dbraw/zinc/86/27/07/809862707.db2.gz SXHMCMIDKAUIOC-ZMYBRWDISA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001178916861 809894315 /nfs/dbraw/zinc/89/43/15/809894315.db2.gz PRIFPAAFSRMQRZ-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001179159027 809907263 /nfs/dbraw/zinc/90/72/63/809907263.db2.gz HMIGWELXBNVSGE-QGZVFWFLSA-N 2 1 286.463 3.387 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001179159026 809907316 /nfs/dbraw/zinc/90/73/16/809907316.db2.gz HMIGWELXBNVSGE-KRWDZBQOSA-N 2 1 286.463 3.387 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001179815164 809947326 /nfs/dbraw/zinc/94/73/26/809947326.db2.gz DZNYSYABVBVZKI-BHYGNILZSA-N 2 1 290.476 3.228 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(CC4CCC4)c3)[C@H]2C1 ZINC001179817920 809949009 /nfs/dbraw/zinc/94/90/09/809949009.db2.gz SJFUIPGSQVUKHU-SLFFLAALSA-N 2 1 298.474 3.459 20 0 CGADMP CNc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179924498 809959046 /nfs/dbraw/zinc/95/90/46/809959046.db2.gz INNOPPQWWVDCRT-LPHOPBHVSA-N 2 1 299.462 3.177 20 0 CGADMP CNc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924498 809959051 /nfs/dbraw/zinc/95/90/51/809959051.db2.gz INNOPPQWWVDCRT-LPHOPBHVSA-N 2 1 299.462 3.177 20 0 CGADMP CNc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179924498 809959055 /nfs/dbraw/zinc/95/90/55/809959055.db2.gz INNOPPQWWVDCRT-LPHOPBHVSA-N 2 1 299.462 3.177 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3C[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001181349930 810047999 /nfs/dbraw/zinc/04/79/99/810047999.db2.gz OAYQLWHONYLMGJ-XWSJACJDSA-N 2 1 284.447 3.287 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1CCCC12CCCCC2)C[NH+](C)C ZINC001183756233 810159829 /nfs/dbraw/zinc/15/98/29/810159829.db2.gz ZPIMTLJDEJHBEC-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001196367146 811337252 /nfs/dbraw/zinc/33/72/52/811337252.db2.gz COXJOCHTJGWGND-UHFFFAOYSA-N 2 1 284.394 3.217 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001196367146 811337262 /nfs/dbraw/zinc/33/72/62/811337262.db2.gz COXJOCHTJGWGND-UHFFFAOYSA-N 2 1 284.394 3.217 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C1CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544776 811352230 /nfs/dbraw/zinc/35/22/30/811352230.db2.gz IJMVRDIPMAIDNC-INIZCTEOSA-N 2 1 296.499 3.169 20 0 CGADMP Cc1cccc(CCC[N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)c1 ZINC001196631746 811355673 /nfs/dbraw/zinc/35/56/73/811355673.db2.gz IXDHOOACYPTFEW-KDURUIRLSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1cccc(CCC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001196631746 811355681 /nfs/dbraw/zinc/35/56/81/811355681.db2.gz IXDHOOACYPTFEW-KDURUIRLSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1cccc(CCC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001196631746 811355687 /nfs/dbraw/zinc/35/56/87/811355687.db2.gz IXDHOOACYPTFEW-KDURUIRLSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1cccc(CCC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001196631746 811355698 /nfs/dbraw/zinc/35/56/98/811355698.db2.gz IXDHOOACYPTFEW-KDURUIRLSA-N 2 1 286.463 3.201 20 0 CGADMP Cc1cccc(CCC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001196631746 811355707 /nfs/dbraw/zinc/35/57/07/811355707.db2.gz IXDHOOACYPTFEW-KDURUIRLSA-N 2 1 286.463 3.201 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CC3CCC4(CC4)CC3)C[C@@]2(C)C1 ZINC001196631446 811356392 /nfs/dbraw/zinc/35/63/92/811356392.db2.gz FRGBXAHKDMJLKL-IAGOWNOFSA-N 2 1 276.468 3.230 20 0 CGADMP C[N@H+]1C[C@@]2(C)CN(Cc3ccc(C(F)F)cc3)C[C@@]2(C)C1 ZINC001196632598 811356665 /nfs/dbraw/zinc/35/66/65/811356665.db2.gz UIFQZMBGSLHVRP-CALCHBBNSA-N 2 1 294.389 3.398 20 0 CGADMP CN1C[C@]2(C)C[N@H+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC001196632598 811356676 /nfs/dbraw/zinc/35/66/76/811356676.db2.gz UIFQZMBGSLHVRP-CALCHBBNSA-N 2 1 294.389 3.398 20 0 CGADMP CN1C[C@]2(C)C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC001196632598 811356684 /nfs/dbraw/zinc/35/66/84/811356684.db2.gz UIFQZMBGSLHVRP-CALCHBBNSA-N 2 1 294.389 3.398 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC001196632598 811356690 /nfs/dbraw/zinc/35/66/90/811356690.db2.gz UIFQZMBGSLHVRP-CALCHBBNSA-N 2 1 294.389 3.398 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC001196632598 811356702 /nfs/dbraw/zinc/35/67/02/811356702.db2.gz UIFQZMBGSLHVRP-CALCHBBNSA-N 2 1 294.389 3.398 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC001196632598 811356711 /nfs/dbraw/zinc/35/67/11/811356711.db2.gz UIFQZMBGSLHVRP-CALCHBBNSA-N 2 1 294.389 3.398 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@]2(C)C1 ZINC001196632598 811356723 /nfs/dbraw/zinc/35/67/23/811356723.db2.gz UIFQZMBGSLHVRP-CALCHBBNSA-N 2 1 294.389 3.398 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001197031578 811391315 /nfs/dbraw/zinc/39/13/15/811391315.db2.gz MHPHQHUTUQNFGO-NIKGAXFTSA-N 2 1 284.447 3.262 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001197031578 811391325 /nfs/dbraw/zinc/39/13/25/811391325.db2.gz MHPHQHUTUQNFGO-NIKGAXFTSA-N 2 1 284.447 3.262 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001197031578 811391333 /nfs/dbraw/zinc/39/13/33/811391333.db2.gz MHPHQHUTUQNFGO-NIKGAXFTSA-N 2 1 284.447 3.262 20 0 CGADMP CCc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC001199218726 811563670 /nfs/dbraw/zinc/56/36/70/811563670.db2.gz GRGYZAKUXZYEOO-CQSZACIVSA-N 2 1 271.408 3.180 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C)n1 ZINC001199328774 811572781 /nfs/dbraw/zinc/57/27/81/811572781.db2.gz IYCLVQAELLANFN-GJZGRUSLSA-N 2 1 289.467 3.156 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)C1 ZINC001200526110 811709802 /nfs/dbraw/zinc/70/98/02/811709802.db2.gz MLLVRLNLAYFTAO-BBWFWOEESA-N 2 1 296.499 3.028 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001200715272 811737206 /nfs/dbraw/zinc/73/72/06/811737206.db2.gz VALRXNHBTFMWNC-INIZCTEOSA-N 2 1 299.418 3.128 20 0 CGADMP CC(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201482304 811858449 /nfs/dbraw/zinc/85/84/49/811858449.db2.gz IBZXWEXEHIFOJQ-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201482304 811858461 /nfs/dbraw/zinc/85/84/61/811858461.db2.gz IBZXWEXEHIFOJQ-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201482304 811858469 /nfs/dbraw/zinc/85/84/69/811858469.db2.gz IBZXWEXEHIFOJQ-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001201501823 811872280 /nfs/dbraw/zinc/87/22/80/811872280.db2.gz BWQNWAZEWXUALA-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001201511385 811876430 /nfs/dbraw/zinc/87/64/30/811876430.db2.gz LDCMOWZDSZMBTD-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201559608 811903012 /nfs/dbraw/zinc/90/30/12/811903012.db2.gz MAIFZMSJHHVVPJ-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201559608 811903017 /nfs/dbraw/zinc/90/30/17/811903017.db2.gz MAIFZMSJHHVVPJ-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201559608 811903030 /nfs/dbraw/zinc/90/30/30/811903030.db2.gz MAIFZMSJHHVVPJ-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](C)[C@@H]1OC ZINC001201760876 811963003 /nfs/dbraw/zinc/96/30/03/811963003.db2.gz JXYWUHQOPBFNKE-JJXSEGSLSA-N 2 1 296.499 3.289 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCC1CCOCC1 ZINC001202663997 812148827 /nfs/dbraw/zinc/14/88/27/812148827.db2.gz GHHAMKFDPYISMY-ROUUACIJSA-N 2 1 294.483 3.142 20 0 CGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001202740066 812163429 /nfs/dbraw/zinc/16/34/29/812163429.db2.gz RTRQOAIBAGPOKJ-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202775247 812170757 /nfs/dbraw/zinc/17/07/57/812170757.db2.gz AURLBNKVPZCGNG-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202775247 812170763 /nfs/dbraw/zinc/17/07/63/812170763.db2.gz AURLBNKVPZCGNG-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202775247 812170768 /nfs/dbraw/zinc/17/07/68/812170768.db2.gz AURLBNKVPZCGNG-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c2ccccc12 ZINC001203991444 812511325 /nfs/dbraw/zinc/51/13/25/812511325.db2.gz HHHSDMKJTPVRBU-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc12 ZINC001203991444 812511330 /nfs/dbraw/zinc/51/13/30/812511330.db2.gz HHHSDMKJTPVRBU-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP CCCC[N@@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204265851 812592723 /nfs/dbraw/zinc/59/27/23/812592723.db2.gz JTXVCALJDPSVHR-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)C1CCCCC1 ZINC001204598016 812685892 /nfs/dbraw/zinc/68/58/92/812685892.db2.gz FDQSBINDGWGYQL-UHFFFAOYSA-N 2 1 272.436 3.487 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@](C)([NH3+])C2)C1(C)C ZINC001204937491 812785349 /nfs/dbraw/zinc/78/53/49/812785349.db2.gz CTGPRDHIMPNKNG-GDBMZVCRSA-N 2 1 250.430 3.182 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(F)cccc32)CC1 ZINC001204999711 812816658 /nfs/dbraw/zinc/81/66/58/812816658.db2.gz DZDQZKSXEASQKK-MRXNPFEDSA-N 2 1 292.398 3.113 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(C(C)C)c2)C1 ZINC001205009130 812823201 /nfs/dbraw/zinc/82/32/01/812823201.db2.gz HPYYVAGBFSRHDX-MRXNPFEDSA-N 2 1 290.451 3.250 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C(C)C)c2)C1 ZINC001205009130 812823207 /nfs/dbraw/zinc/82/32/07/812823207.db2.gz HPYYVAGBFSRHDX-MRXNPFEDSA-N 2 1 290.451 3.250 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001205101735 812868023 /nfs/dbraw/zinc/86/80/23/812868023.db2.gz KDPSKDWNYIJXIY-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001205101735 812868032 /nfs/dbraw/zinc/86/80/32/812868032.db2.gz KDPSKDWNYIJXIY-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001205109664 812870833 /nfs/dbraw/zinc/87/08/33/812870833.db2.gz IVHVYCOKTHJXSE-MRXNPFEDSA-N 2 1 299.393 3.201 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1Br ZINC001205110748 812871763 /nfs/dbraw/zinc/87/17/63/812871763.db2.gz ZNAODHHOBIZWHL-CYBMUJFWSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1Br ZINC001205110748 812871774 /nfs/dbraw/zinc/87/17/74/812871774.db2.gz ZNAODHHOBIZWHL-CYBMUJFWSA-N 2 1 297.240 3.071 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2ccncc2)CC1 ZINC001205117757 812873912 /nfs/dbraw/zinc/87/39/12/812873912.db2.gz UKBUVXHCCWPUIH-KRWDZBQOSA-N 2 1 281.403 3.062 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124392 812878561 /nfs/dbraw/zinc/87/85/61/812878561.db2.gz PWWPJMNOKJNYMF-GFCCVEGCSA-N 2 1 270.779 3.101 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124392 812878566 /nfs/dbraw/zinc/87/85/66/812878566.db2.gz PWWPJMNOKJNYMF-GFCCVEGCSA-N 2 1 270.779 3.101 20 0 CGADMP CC(C)c1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205151340 812889020 /nfs/dbraw/zinc/88/90/20/812889020.db2.gz SMNXHJZSVQUIDC-GXTWGEPZSA-N 2 1 280.843 3.490 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001205164661 812896100 /nfs/dbraw/zinc/89/61/00/812896100.db2.gz LKQIJIJNDFKUEJ-AWEZNQCLSA-N 2 1 278.399 3.409 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC001205257863 812919130 /nfs/dbraw/zinc/91/91/30/812919130.db2.gz XZIWLUNRSINYDX-CYBMUJFWSA-N 2 1 260.372 3.015 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(C(F)F)c2)CC1 ZINC001205263939 812921875 /nfs/dbraw/zinc/92/18/75/812921875.db2.gz FXVKXVKMKVMFFF-OAHLLOKOSA-N 2 1 268.351 3.328 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001205264322 812922275 /nfs/dbraw/zinc/92/22/75/812922275.db2.gz KKUUGLOFFFZIOW-MRXNPFEDSA-N 2 1 275.371 3.010 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264276 812922364 /nfs/dbraw/zinc/92/23/64/812922364.db2.gz ITKALZDACKMSAH-QGZVFWFLSA-N 2 1 276.424 3.177 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)c1C ZINC001205264095 812922434 /nfs/dbraw/zinc/92/24/34/812922434.db2.gz HPLKQLULURKEEZ-SFHVURJKSA-N 2 1 290.451 3.324 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc(C)c1F ZINC001205281578 812930656 /nfs/dbraw/zinc/93/06/56/812930656.db2.gz VCGDIFRLEPECEL-MRXNPFEDSA-N 2 1 264.388 3.146 20 0 CGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccn1 ZINC001205281925 812930751 /nfs/dbraw/zinc/93/07/51/812930751.db2.gz ZPVMIYWTQCCNQN-KRWDZBQOSA-N 2 1 275.440 3.082 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC001205288031 812931397 /nfs/dbraw/zinc/93/13/97/812931397.db2.gz FTALNRONWBKNNR-INIZCTEOSA-N 2 1 258.365 3.136 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3cccccc2-3)CC1 ZINC001205288757 812933462 /nfs/dbraw/zinc/93/34/62/812933462.db2.gz OEQCSNKFPSZNBU-GOSISDBHSA-N 2 1 268.404 3.495 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C[C@H]1C[NH3+] ZINC001205303993 812941657 /nfs/dbraw/zinc/94/16/57/812941657.db2.gz MLVZCDARCHQIOY-NWDGAFQWSA-N 2 1 291.826 3.238 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)[C@@H]1CC1(C)C ZINC001205405188 812977678 /nfs/dbraw/zinc/97/76/78/812977678.db2.gz FHXKTJUGQRBNPU-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1CC1(C)C ZINC001205405188 812977684 /nfs/dbraw/zinc/97/76/84/812977684.db2.gz FHXKTJUGQRBNPU-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)[C@H]1CC1(C)C ZINC001205405186 812977930 /nfs/dbraw/zinc/97/79/30/812977930.db2.gz FHXKTJUGQRBNPU-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CC1(C)C ZINC001205405186 812977935 /nfs/dbraw/zinc/97/79/35/812977935.db2.gz FHXKTJUGQRBNPU-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC1(C)C ZINC001205405187 812978583 /nfs/dbraw/zinc/97/85/83/812978583.db2.gz FHXKTJUGQRBNPU-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC1(C)C ZINC001205405187 812978589 /nfs/dbraw/zinc/97/85/89/812978589.db2.gz FHXKTJUGQRBNPU-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC001205559959 813003102 /nfs/dbraw/zinc/00/31/02/813003102.db2.gz XMLTXPXSPPFLCK-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001205559130 813003819 /nfs/dbraw/zinc/00/38/19/813003819.db2.gz ODNFYYJYVMFJLA-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC001205569912 813005759 /nfs/dbraw/zinc/00/57/59/813005759.db2.gz AGSKGQHIIOCIRU-HNNXBMFYSA-N 2 1 286.341 3.277 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205591171 813014991 /nfs/dbraw/zinc/01/49/91/813014991.db2.gz GARCJFNHVGZTOB-MRXNPFEDSA-N 2 1 296.455 3.370 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC001205604747 813021326 /nfs/dbraw/zinc/02/13/26/813021326.db2.gz WONGTLNHBJRBJV-STQMWFEESA-N 2 1 266.816 3.147 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)ccc2c1 ZINC001205617590 813026455 /nfs/dbraw/zinc/02/64/55/813026455.db2.gz LERVNSVSQNCISH-DOTOQJQBSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)CC[C@H]1C[NH3+] ZINC001205617942 813028314 /nfs/dbraw/zinc/02/83/14/813028314.db2.gz PPQQYXDYLUIHJT-PBHICJAKSA-N 2 1 283.419 3.042 20 0 CGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1Cl ZINC001205617981 813028373 /nfs/dbraw/zinc/02/83/73/813028373.db2.gz QDTIYPGLUPQUEW-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)CC[C@@H]1C[NH3+] ZINC001205617943 813028848 /nfs/dbraw/zinc/02/88/48/813028848.db2.gz PPQQYXDYLUIHJT-RHSMWYFYSA-N 2 1 283.419 3.042 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)s1 ZINC001205628802 813033926 /nfs/dbraw/zinc/03/39/26/813033926.db2.gz WURZBBIQFXDAKQ-STQMWFEESA-N 2 1 266.454 3.117 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@@H]1C[NH3+] ZINC001205628458 813034723 /nfs/dbraw/zinc/03/47/23/813034723.db2.gz VGJWHGDHRDMXTL-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2-n2cccc2)CC[C@@H]1C[NH3+] ZINC001205637505 813036368 /nfs/dbraw/zinc/03/63/68/813036368.db2.gz HQLWIMZKBGWRHT-DLBZAZTESA-N 2 1 297.446 3.284 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3cccc(F)c3[nH]2)CC[C@@H]1C[NH3+] ZINC001205638564 813039314 /nfs/dbraw/zinc/03/93/14/813039314.db2.gz PIIHNROROMIWIN-GXTWGEPZSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3occc32)CC[C@@H]1C[NH3+] ZINC001205653784 813042605 /nfs/dbraw/zinc/04/26/05/813042605.db2.gz VLKHCHDFOCVFPB-UONOGXRCSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(O)cc3ccccc32)CC[C@H]1C[NH3+] ZINC001205654912 813043555 /nfs/dbraw/zinc/04/35/55/813043555.db2.gz YCWAVRJPCYEDHW-HOCLYGCPSA-N 2 1 298.430 3.352 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1(C)C ZINC001205735086 813064668 /nfs/dbraw/zinc/06/46/68/813064668.db2.gz JYWYIOKLJXFMGW-KBPBESRZSA-N 2 1 286.410 3.285 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1C ZINC001205777999 813075512 /nfs/dbraw/zinc/07/55/12/813075512.db2.gz FZAXRUVOKOKSLE-OAHLLOKOSA-N 2 1 282.378 3.028 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1C ZINC001205777999 813075522 /nfs/dbraw/zinc/07/55/22/813075522.db2.gz FZAXRUVOKOKSLE-OAHLLOKOSA-N 2 1 282.378 3.028 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(C)c1 ZINC001205805044 813086348 /nfs/dbraw/zinc/08/63/48/813086348.db2.gz POCHPYZJFRSZOM-MLGOLLRUSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(C)c1 ZINC001205805044 813086355 /nfs/dbraw/zinc/08/63/55/813086355.db2.gz POCHPYZJFRSZOM-MLGOLLRUSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001205851752 813107971 /nfs/dbraw/zinc/10/79/71/813107971.db2.gz BKOVTRUJCNAHLM-PBHICJAKSA-N 2 1 268.404 3.351 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205851752 813107977 /nfs/dbraw/zinc/10/79/77/813107977.db2.gz BKOVTRUJCNAHLM-PBHICJAKSA-N 2 1 268.404 3.351 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)C2)cc1 ZINC001205895323 813121514 /nfs/dbraw/zinc/12/15/14/813121514.db2.gz DTOKFHLDIVLQOV-BMGDILEWSA-N 2 1 292.442 3.360 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@H]([NH3+])[C@H](F)C2)cc1 ZINC001205895323 813121519 /nfs/dbraw/zinc/12/15/19/813121519.db2.gz DTOKFHLDIVLQOV-BMGDILEWSA-N 2 1 292.442 3.360 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)nc1 ZINC001205901580 813122367 /nfs/dbraw/zinc/12/23/67/813122367.db2.gz DIHCQIZWHGKEME-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)ccc2c1 ZINC001205901350 813122391 /nfs/dbraw/zinc/12/23/91/813122391.db2.gz COGNAFHWOCHXOH-GOEBONIOSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)cc2c1 ZINC001205901053 813122754 /nfs/dbraw/zinc/12/27/54/813122754.db2.gz AWPFYKHGJOHUED-KGLIPLIRSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC001205901620 813123127 /nfs/dbraw/zinc/12/31/27/813123127.db2.gz DROJKBBJZBKPRD-YPMHNXCESA-N 2 1 286.341 3.265 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205901759 813124489 /nfs/dbraw/zinc/12/44/89/813124489.db2.gz GAZRHDWGWMUIPS-DOTOQJQBSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001205902274 813124963 /nfs/dbraw/zinc/12/49/63/813124963.db2.gz JLLDMUMUYKBYIJ-ZDUSSCGKSA-N 2 1 274.399 3.276 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001205902274 813124967 /nfs/dbraw/zinc/12/49/67/813124967.db2.gz JLLDMUMUYKBYIJ-ZDUSSCGKSA-N 2 1 274.399 3.276 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2ccc(Cl)cc12 ZINC001205903323 813124977 /nfs/dbraw/zinc/12/49/77/813124977.db2.gz OLZCHUBYXDYDPO-RYUDHWBXSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2cc(Cl)ccc2[nH]1 ZINC001205903692 813126044 /nfs/dbraw/zinc/12/60/44/813126044.db2.gz QSCWEGLNZYTBTR-VXGBXAGGSA-N 2 1 291.826 3.381 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1C(C)C ZINC001205903595 813126527 /nfs/dbraw/zinc/12/65/27/813126527.db2.gz QGRYPVNQHOVTIL-HOCLYGCPSA-N 2 1 290.451 3.378 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)cc21 ZINC001205905234 813127739 /nfs/dbraw/zinc/12/77/39/813127739.db2.gz ZKRFZJFXENCRLB-YOEHRIQHSA-N 2 1 285.435 3.220 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccc(F)cc1Cl ZINC001205904924 813128069 /nfs/dbraw/zinc/12/80/69/813128069.db2.gz YMXBTTLBUDGOCZ-YPMHNXCESA-N 2 1 284.806 3.081 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c[nH]c21 ZINC001205904859 813128140 /nfs/dbraw/zinc/12/81/40/813128140.db2.gz XIEWWJUTHGEASW-ZFWWWQNUSA-N 2 1 285.435 3.290 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)ccc2n1 ZINC001205912933 813129138 /nfs/dbraw/zinc/12/91/38/813129138.db2.gz DYAZYWCHXWMMJZ-WMLDXEAASA-N 2 1 283.419 3.102 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001205913210 813130053 /nfs/dbraw/zinc/13/00/53/813130053.db2.gz HPPXZQLAYQASGO-DOMZBBRYSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2sccc21 ZINC001205915691 813130769 /nfs/dbraw/zinc/13/07/69/813130769.db2.gz QHGZAKHGFKGGCW-CHWSQXEVSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205914734 813131244 /nfs/dbraw/zinc/13/12/44/813131244.db2.gz NCSGKKXPQCPLHC-GDBMZVCRSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c12 ZINC001205916930 813132409 /nfs/dbraw/zinc/13/24/09/813132409.db2.gz WSRJIDUDQCPCMG-GJZGRUSLSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1OC(C)C ZINC001205916168 813132722 /nfs/dbraw/zinc/13/27/22/813132722.db2.gz SGMHDKUCEAPHHI-HOTGVXAUSA-N 2 1 290.451 3.341 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc3sccc32)C1 ZINC001205938807 813141554 /nfs/dbraw/zinc/14/15/54/813141554.db2.gz LCURFWMZXNMCBS-CYBMUJFWSA-N 2 1 260.406 3.215 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001205938807 813141557 /nfs/dbraw/zinc/14/15/57/813141557.db2.gz LCURFWMZXNMCBS-CYBMUJFWSA-N 2 1 260.406 3.215 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCC1(F)F ZINC001205981435 813151325 /nfs/dbraw/zinc/15/13/25/813151325.db2.gz CIANEUFILPLYIX-ZDUSSCGKSA-N 2 1 294.389 3.200 20 0 CGADMP C[C@@H]1C[N@@H+](CC2(c3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001205983077 813152022 /nfs/dbraw/zinc/15/20/22/813152022.db2.gz NHAQSMLGVXILHO-CVEARBPZSA-N 2 1 272.436 3.025 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205992070 813155932 /nfs/dbraw/zinc/15/59/32/813155932.db2.gz DFYYXWWILUYKNE-HOTGVXAUSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(F)ccc23)CCC[C@H]1C[NH3+] ZINC001205996004 813157333 /nfs/dbraw/zinc/15/73/33/813157333.db2.gz SYGPPIUBSZEJPY-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)cc1F ZINC001206011607 813163628 /nfs/dbraw/zinc/16/36/28/813163628.db2.gz FJSNTFUCOJDIQL-CHWSQXEVSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cccc3)cc2)CCC[C@H]1C[NH3+] ZINC001206011580 813163713 /nfs/dbraw/zinc/16/37/13/813163713.db2.gz DYMRGCVJNHCPAN-WMZOPIPTSA-N 2 1 297.446 3.284 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3scnc3c2)CCC[C@@H]1C[NH3+] ZINC001206014147 813166049 /nfs/dbraw/zinc/16/60/49/813166049.db2.gz WDTIRTXQLQZUCP-GXTWGEPZSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3cccc(F)c3[nH]2)CCC[C@H]1C[NH3+] ZINC001206025178 813170374 /nfs/dbraw/zinc/17/03/74/813170374.db2.gz MQJJRVDPNBXKOU-JSGCOSHPSA-N 2 1 289.398 3.114 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001206049358 813182241 /nfs/dbraw/zinc/18/22/41/813182241.db2.gz JQWMJEZBVIZHLY-IAGOWNOFSA-N 2 1 276.399 3.495 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001206083949 813195022 /nfs/dbraw/zinc/19/50/22/813195022.db2.gz AWDPIPHFFSTZJV-OWCLPIDISA-N 2 1 284.488 3.289 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001206083949 813195027 /nfs/dbraw/zinc/19/50/27/813195027.db2.gz AWDPIPHFFSTZJV-OWCLPIDISA-N 2 1 284.488 3.289 20 0 CGADMP N[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1F ZINC001206153224 813214842 /nfs/dbraw/zinc/21/48/42/813214842.db2.gz CHRRMCQXNFYWJU-CABCVRRESA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)CC[C@H]1F ZINC001206153224 813214846 /nfs/dbraw/zinc/21/48/46/813214846.db2.gz CHRRMCQXNFYWJU-CABCVRRESA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1F ZINC001206153224 813214850 /nfs/dbraw/zinc/21/48/50/813214850.db2.gz CHRRMCQXNFYWJU-CABCVRRESA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1F ZINC001206164542 813220824 /nfs/dbraw/zinc/22/08/24/813220824.db2.gz KILWJRRALYONTJ-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1F ZINC001206164542 813220828 /nfs/dbraw/zinc/22/08/28/813220828.db2.gz KILWJRRALYONTJ-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1F ZINC001206163664 813221574 /nfs/dbraw/zinc/22/15/74/813221574.db2.gz DPVQBJRYKXWLTK-KBPBESRZSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1F ZINC001206184280 813230604 /nfs/dbraw/zinc/23/06/04/813230604.db2.gz IDVLZCIKNQVVRO-HOTGVXAUSA-N 2 1 288.366 3.208 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206196063 813234910 /nfs/dbraw/zinc/23/49/10/813234910.db2.gz APOFJHDHDWLSQL-HZPDHXFCSA-N 2 1 264.388 3.071 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cccccc2-3)CC[C@H]1F ZINC001206201893 813238074 /nfs/dbraw/zinc/23/80/74/813238074.db2.gz ZQYNUSSNDUGMJG-IAGOWNOFSA-N 2 1 272.367 3.053 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccccc2-3)CC[C@H]1F ZINC001206201893 813238078 /nfs/dbraw/zinc/23/80/78/813238078.db2.gz ZQYNUSSNDUGMJG-IAGOWNOFSA-N 2 1 272.367 3.053 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC001206297372 813276168 /nfs/dbraw/zinc/27/61/68/813276168.db2.gz XYZJRXVKMUBPLO-INIZCTEOSA-N 2 1 280.843 3.333 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206296075 813276331 /nfs/dbraw/zinc/27/63/31/813276331.db2.gz PJYWOWMECIJDTR-INIZCTEOSA-N 2 1 278.465 3.359 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206296398 813276686 /nfs/dbraw/zinc/27/66/86/813276686.db2.gz SFSAZKDXYWYHSY-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC001206303607 813279792 /nfs/dbraw/zinc/27/97/92/813279792.db2.gz DTAZEHZPCJQCAK-INIZCTEOSA-N 2 1 298.377 3.239 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC001206303608 813280383 /nfs/dbraw/zinc/28/03/83/813280383.db2.gz DTAZEHZPCJQCAK-MRXNPFEDSA-N 2 1 298.377 3.239 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305426 813281227 /nfs/dbraw/zinc/28/12/27/813281227.db2.gz ZDUDJLKOKBXEEH-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC001206305445 813281438 /nfs/dbraw/zinc/28/14/38/813281438.db2.gz ZNTVBBTWIOVYQB-HNNXBMFYSA-N 2 1 286.341 3.055 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206318082 813286600 /nfs/dbraw/zinc/28/66/00/813286600.db2.gz MDEDVTCFCOANNH-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206317085 813286721 /nfs/dbraw/zinc/28/67/21/813286721.db2.gz CLVDAJLMSYCNNJ-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1F ZINC001206317624 813287596 /nfs/dbraw/zinc/28/75/96/813287596.db2.gz IERHPVRGRZFMCQ-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206335510 813294053 /nfs/dbraw/zinc/29/40/53/813294053.db2.gz FNUKLWPXROJKID-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccccc2C2CC2)C1 ZINC001206351428 813300177 /nfs/dbraw/zinc/30/01/77/813300177.db2.gz CHVCFWVRKVSRDE-KRWDZBQOSA-N 2 1 276.399 3.217 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001206351428 813300183 /nfs/dbraw/zinc/30/01/83/813300183.db2.gz CHVCFWVRKVSRDE-KRWDZBQOSA-N 2 1 276.399 3.217 20 0 CGADMP C[C@]1(F)CCCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206406183 813315107 /nfs/dbraw/zinc/31/51/07/813315107.db2.gz VSQVZTBSUVISFP-INIZCTEOSA-N 2 1 262.372 3.004 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2coc3ccccc23)C1 ZINC001206556640 813352619 /nfs/dbraw/zinc/35/26/19/813352619.db2.gz UNWYYNIZUMAZCD-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP Cc1cccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206579954 813362075 /nfs/dbraw/zinc/36/20/75/813362075.db2.gz BNMCFUBIIRGQOY-KRWDZBQOSA-N 2 1 260.425 3.348 20 0 CGADMP CC(C)[N@@H+](CC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC001206583467 813363602 /nfs/dbraw/zinc/36/36/02/813363602.db2.gz VAMURLJVUCFXBP-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc(F)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206591647 813367648 /nfs/dbraw/zinc/36/76/48/813367648.db2.gz UQLHGKUJHZIYBP-HNNXBMFYSA-N 2 1 294.414 3.187 20 0 CGADMP COc1ccc(F)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206591647 813367654 /nfs/dbraw/zinc/36/76/54/813367654.db2.gz UQLHGKUJHZIYBP-HNNXBMFYSA-N 2 1 294.414 3.187 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206616492 813376309 /nfs/dbraw/zinc/37/63/09/813376309.db2.gz PMBJCIJSFSPDGM-ZDUSSCGKSA-N 2 1 289.398 3.176 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206616968 813376571 /nfs/dbraw/zinc/37/65/71/813376571.db2.gz VLSVPUZIPSXXHH-OAHLLOKOSA-N 2 1 276.424 3.035 20 0 CGADMP CC(C)(C[NH+]1CC(C)(C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001206711170 813404128 /nfs/dbraw/zinc/40/41/28/813404128.db2.gz GFXKOMGXFAFOSI-UHFFFAOYSA-N 2 1 298.883 3.491 20 0 CGADMP Cc1ccc(-c2cccc(C[NH+]3CC(C)(C[NH3+])C3)c2)cc1 ZINC001206736921 813413446 /nfs/dbraw/zinc/41/34/46/813413446.db2.gz KRPHTNMQAFJGRV-UHFFFAOYSA-N 2 1 280.415 3.443 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CC1 ZINC001206760714 813425812 /nfs/dbraw/zinc/42/58/12/813425812.db2.gz KLPCVBWMXUACEU-VGWMRTNUSA-N 2 1 250.430 3.038 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206805749 813441078 /nfs/dbraw/zinc/44/10/78/813441078.db2.gz DFKLCXKDAVICPN-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc2sccc21 ZINC001206806090 813442027 /nfs/dbraw/zinc/44/20/27/813442027.db2.gz FIZRPSQBRZWCCE-QWHCGFSZSA-N 2 1 274.433 3.461 20 0 CGADMP C[N@H+](Cc1cccc(C(F)F)c1)CC1CC[NH+](C)CC1 ZINC001207131170 813493088 /nfs/dbraw/zinc/49/30/88/813493088.db2.gz ZMIPYOPPSWNMEP-UHFFFAOYSA-N 2 1 282.378 3.398 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001207282861 813534003 /nfs/dbraw/zinc/53/40/03/813534003.db2.gz WSYKDXCZNUKBOZ-QGZVFWFLSA-N 2 1 274.452 3.454 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207488416 813574557 /nfs/dbraw/zinc/57/45/57/813574557.db2.gz KIVIPBMZIUNHCA-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC001207489245 813574628 /nfs/dbraw/zinc/57/46/28/813574628.db2.gz WNRYBNZLBJJDOL-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001207838143 813658548 /nfs/dbraw/zinc/65/85/48/813658548.db2.gz WIQITCZOEIIEMI-OBVSXPTNSA-N 2 1 276.468 3.441 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001207836232 813658598 /nfs/dbraw/zinc/65/85/98/813658598.db2.gz HUKWPOWGGNCXIQ-DNNBLBMLSA-N 2 1 292.854 3.201 20 0 CGADMP Cc1ccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC001207936590 813674735 /nfs/dbraw/zinc/67/47/35/813674735.db2.gz APAOZKDFCLXQKJ-UHFFFAOYSA-N 2 1 276.424 3.081 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001208109835 813694122 /nfs/dbraw/zinc/69/41/22/813694122.db2.gz SOLWIWBORRFTQO-UHFFFAOYSA-N 2 1 282.447 3.323 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208109055 813695002 /nfs/dbraw/zinc/69/50/02/813695002.db2.gz KWSMCWDLCVHNPT-OAHLLOKOSA-N 2 1 272.436 3.165 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC[C@H](C)c2ccc(C)o2)CC1 ZINC001208154824 813713147 /nfs/dbraw/zinc/71/31/47/813713147.db2.gz ICBZPZJIVYBRIV-AWEZNQCLSA-N 2 1 278.440 3.498 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC[C@H](C)c2ccc(C)o2)CC1 ZINC001208154824 813713151 /nfs/dbraw/zinc/71/31/51/813713151.db2.gz ICBZPZJIVYBRIV-AWEZNQCLSA-N 2 1 278.440 3.498 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001208597992 813771666 /nfs/dbraw/zinc/77/16/66/813771666.db2.gz PAXHUKOQBVCVJB-QGZVFWFLSA-N 2 1 290.426 3.347 20 0 CGADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCC2CC2)CC3)co1 ZINC001208681930 813793257 /nfs/dbraw/zinc/79/32/57/813793257.db2.gz AAFPBRQONBSMRQ-UHFFFAOYSA-N 2 1 288.435 3.368 20 0 CGADMP FC1(F)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949532 813908202 /nfs/dbraw/zinc/90/82/02/813908202.db2.gz WYCGVWNONIIQEF-INIZCTEOSA-N 2 1 294.389 3.240 20 0 CGADMP FC1(F)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949532 813908205 /nfs/dbraw/zinc/90/82/05/813908205.db2.gz WYCGVWNONIIQEF-INIZCTEOSA-N 2 1 294.389 3.240 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+](CC3CC3)C3CC3)C2)cc1 ZINC001208959714 813910590 /nfs/dbraw/zinc/91/05/90/813910590.db2.gz SYSPAOBOGBEEAO-GOSISDBHSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+](CC3CC3)C3CC3)C2)cc1 ZINC001208959714 813910594 /nfs/dbraw/zinc/91/05/94/813910594.db2.gz SYSPAOBOGBEEAO-GOSISDBHSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+](CC3CC3)C3CC3)C2)cc1 ZINC001208959714 813910601 /nfs/dbraw/zinc/91/06/01/813910601.db2.gz SYSPAOBOGBEEAO-GOSISDBHSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC3CC3)C3CC3)C2)cc1 ZINC001208959714 813910606 /nfs/dbraw/zinc/91/06/06/813910606.db2.gz SYSPAOBOGBEEAO-GOSISDBHSA-N 2 1 284.447 3.383 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001209386429 814009576 /nfs/dbraw/zinc/00/95/76/814009576.db2.gz CSOPXBUWRUZCMO-HZPDHXFCSA-N 2 1 296.499 3.242 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CCC[C@@H]1C ZINC001209448085 814044809 /nfs/dbraw/zinc/04/48/09/814044809.db2.gz MLZIYBAPXVWBGE-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C)Cc1cccc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209848536 814168327 /nfs/dbraw/zinc/16/83/27/814168327.db2.gz NRJPDKDNAMETKQ-UHFFFAOYSA-N 2 1 266.348 3.368 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c2ccccc12 ZINC001210474227 814478138 /nfs/dbraw/zinc/47/81/38/814478138.db2.gz DZPJUQSRGVDNBW-OAHLLOKOSA-N 2 1 268.404 3.332 20 0 CGADMP Cc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c2ccccc12 ZINC001210474227 814478143 /nfs/dbraw/zinc/47/81/43/814478143.db2.gz DZPJUQSRGVDNBW-OAHLLOKOSA-N 2 1 268.404 3.332 20 0 CGADMP CC[C@@H](C)[C@H](C)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218317497 816164913 /nfs/dbraw/zinc/16/49/13/816164913.db2.gz NRYIVHVKYXCDNV-CABCVRRESA-N 2 1 290.451 3.423 20 0 CGADMP CCCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148155 816360194 /nfs/dbraw/zinc/36/01/94/816360194.db2.gz MDECNOYQWMLAFL-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148155 816360204 /nfs/dbraw/zinc/36/02/04/816360204.db2.gz MDECNOYQWMLAFL-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2occc21 ZINC001222154420 816362742 /nfs/dbraw/zinc/36/27/42/816362742.db2.gz LGGVSEZHQJAKEI-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222230739 816379569 /nfs/dbraw/zinc/37/95/69/816379569.db2.gz CQBLSYKDQVFNAT-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001222238053 816383276 /nfs/dbraw/zinc/38/32/76/816383276.db2.gz ZDCJNWUZXPXSJA-SFHVURJKSA-N 2 1 272.436 3.330 20 0 CGADMP Clc1cccc(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222259395 816388595 /nfs/dbraw/zinc/38/85/95/816388595.db2.gz OTDSDPBYMVFUDK-QGZVFWFLSA-N 2 1 292.854 3.348 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222259395 816388602 /nfs/dbraw/zinc/38/86/02/816388602.db2.gz OTDSDPBYMVFUDK-QGZVFWFLSA-N 2 1 292.854 3.348 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c12 ZINC001222259670 816389949 /nfs/dbraw/zinc/38/99/49/816389949.db2.gz WNYJQEZNCGPOJM-IBGZPJMESA-N 2 1 295.430 3.261 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c12 ZINC001222259670 816389959 /nfs/dbraw/zinc/38/99/59/816389959.db2.gz WNYJQEZNCGPOJM-IBGZPJMESA-N 2 1 295.430 3.261 20 0 CGADMP COc1cc(C)cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222297898 816401527 /nfs/dbraw/zinc/40/15/27/816401527.db2.gz NAPVADXCHOLNFW-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP Fc1cccc(CCC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222384957 816426079 /nfs/dbraw/zinc/42/60/79/816426079.db2.gz CEVJOZKUWFYPHU-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222384957 816426084 /nfs/dbraw/zinc/42/60/84/816426084.db2.gz CEVJOZKUWFYPHU-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422675 816441104 /nfs/dbraw/zinc/44/11/04/816441104.db2.gz WWYODFSWCALNOH-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422675 816441112 /nfs/dbraw/zinc/44/11/12/816441112.db2.gz WWYODFSWCALNOH-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1ccc(Cl)c(C[NH+]2CCC(F)(C[NH3+])CC2)c1F ZINC001222533393 816464437 /nfs/dbraw/zinc/46/44/37/816464437.db2.gz WYAFLDZSPKIQSF-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP c1ccc([C@H]2C[N@H+](C[C@@H]3CC=CCC3)CC23C[NH2+]C3)cc1 ZINC001222596456 816475145 /nfs/dbraw/zinc/47/51/45/816475145.db2.gz WDLUVIMBUJGGOZ-SJLPKXTDSA-N 2 1 282.431 3.032 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC001222629812 816484114 /nfs/dbraw/zinc/48/41/14/816484114.db2.gz QCBOLYFGYTUHMN-OKILXGFUSA-N 2 1 286.444 3.333 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222634743 816486062 /nfs/dbraw/zinc/48/60/62/816486062.db2.gz GLYFBZODWBOACV-GASCZTMLSA-N 2 1 290.476 3.230 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001231481006 818107885 /nfs/dbraw/zinc/10/78/85/818107885.db2.gz SHLOGJDUSGCYFK-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1F ZINC001232013465 818232760 /nfs/dbraw/zinc/23/27/60/818232760.db2.gz AAGCTBNHNPMVMB-UHFFFAOYSA-N 2 1 269.323 3.334 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC1(F)F ZINC001232011648 818234030 /nfs/dbraw/zinc/23/40/30/818234030.db2.gz NPYIMEHARVAOLP-NSHDSACASA-N 2 1 279.334 3.430 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCCC23CC3)c1 ZINC001232146087 818263835 /nfs/dbraw/zinc/26/38/35/818263835.db2.gz ISXDMDOAGAFJNY-UHFFFAOYSA-N 2 1 276.399 3.406 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640223 818408895 /nfs/dbraw/zinc/40/88/95/818408895.db2.gz JYRCERJCNRQGHP-PKOBYXMFSA-N 2 1 284.447 3.091 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001233007881 818498585 /nfs/dbraw/zinc/49/85/85/818498585.db2.gz VUPJGPMXCQTRMO-UHFFFAOYSA-N 2 1 289.467 3.251 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)cc1O ZINC001233234849 818549180 /nfs/dbraw/zinc/54/91/80/818549180.db2.gz FXPUFAUQKSHJOI-MRXNPFEDSA-N 2 1 298.386 3.057 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001234994392 818972098 /nfs/dbraw/zinc/97/20/98/818972098.db2.gz SROBSRLVECSGMX-INIZCTEOSA-N 2 1 278.465 3.276 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001234994392 818972105 /nfs/dbraw/zinc/97/21/05/818972105.db2.gz SROBSRLVECSGMX-INIZCTEOSA-N 2 1 278.465 3.276 20 0 CGADMP c1ccc2c(c1)Cc1cc(C[N@@H+]3CCC4(C[NH2+]C4)C3)ccc1-2 ZINC001235024900 818981036 /nfs/dbraw/zinc/98/10/36/818981036.db2.gz RPQIRKPPMUJRCS-UHFFFAOYSA-N 2 1 290.410 3.053 20 0 CGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CCC4(C[NH2+]C4)C3)ccc1-2 ZINC001235024900 818981042 /nfs/dbraw/zinc/98/10/42/818981042.db2.gz RPQIRKPPMUJRCS-UHFFFAOYSA-N 2 1 290.410 3.053 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[NH+]1CC2(C1)CCCC2 ZINC001235025482 818982548 /nfs/dbraw/zinc/98/25/48/818982548.db2.gz CFAKYGWUUHCYSZ-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP Clc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1Cl ZINC001235025508 818982928 /nfs/dbraw/zinc/98/29/28/818982928.db2.gz DESURTIPAPZNKH-SWLSCSKDSA-N 2 1 299.245 3.220 20 0 CGADMP Clc1ccc(CCC[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1Cl ZINC001235025508 818982933 /nfs/dbraw/zinc/98/29/33/818982933.db2.gz DESURTIPAPZNKH-SWLSCSKDSA-N 2 1 299.245 3.220 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1C ZINC001235042274 818987743 /nfs/dbraw/zinc/98/77/43/818987743.db2.gz XMMHMNFTPQKBAI-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235039896 818987765 /nfs/dbraw/zinc/98/77/65/818987765.db2.gz JCMNQQBQXFMXRD-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001235063448 818993123 /nfs/dbraw/zinc/99/31/23/818993123.db2.gz FHKYSYXSFLBWPP-KXBFYZLASA-N 2 1 280.415 3.381 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001235063448 818993129 /nfs/dbraw/zinc/99/31/29/818993129.db2.gz FHKYSYXSFLBWPP-KXBFYZLASA-N 2 1 280.415 3.381 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001235065068 818993544 /nfs/dbraw/zinc/99/35/44/818993544.db2.gz JKIFBCXQCHHJDW-APWZRJJASA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001235065068 818993549 /nfs/dbraw/zinc/99/35/49/818993549.db2.gz JKIFBCXQCHHJDW-APWZRJJASA-N 2 1 286.463 3.426 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110001 819005152 /nfs/dbraw/zinc/00/51/52/819005152.db2.gz GPUDYVURNCJCKY-BHYGNILZSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110001 819005155 /nfs/dbraw/zinc/00/51/55/819005155.db2.gz GPUDYVURNCJCKY-BHYGNILZSA-N 2 1 290.838 3.271 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128622 819013399 /nfs/dbraw/zinc/01/33/99/819013399.db2.gz JJLQZABIRGTMHZ-QGZVFWFLSA-N 2 1 294.483 3.213 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128622 819013404 /nfs/dbraw/zinc/01/34/04/819013404.db2.gz JJLQZABIRGTMHZ-QGZVFWFLSA-N 2 1 294.483 3.213 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC23CC[NH2+]CC3)cc1C ZINC001235145213 819015088 /nfs/dbraw/zinc/01/50/88/819015088.db2.gz QKSLQPKRAHSCHY-UHFFFAOYSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)o1 ZINC001235154332 819018037 /nfs/dbraw/zinc/01/80/37/819018037.db2.gz WDHRYMXRDFRFFP-GOSISDBHSA-N 2 1 290.451 3.375 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1O ZINC001235162861 819019111 /nfs/dbraw/zinc/01/91/11/819019111.db2.gz XFOCCAVHCAELGB-QGZVFWFLSA-N 2 1 288.435 3.055 20 0 CGADMP COc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235156771 819019653 /nfs/dbraw/zinc/01/96/53/819019653.db2.gz ROVDWRLRDAXLKI-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235157821 819019683 /nfs/dbraw/zinc/01/96/83/819019683.db2.gz RZHUBUDYUWWQBH-SFHVURJKSA-N 2 1 272.436 3.349 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001235171297 819023182 /nfs/dbraw/zinc/02/31/82/819023182.db2.gz IUIAIDSMDFBHDN-LJQANCHMSA-N 2 1 284.447 3.010 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184214 819028143 /nfs/dbraw/zinc/02/81/43/819028143.db2.gz IBRFOLMUAZZPKN-SJORKVTESA-N 2 1 280.415 3.190 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1(C)C ZINC001235210372 819037226 /nfs/dbraw/zinc/03/72/26/819037226.db2.gz ZMVNCKGIEOANNE-OAGGEKHMSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1(C)C ZINC001235210372 819037229 /nfs/dbraw/zinc/03/72/29/819037229.db2.gz ZMVNCKGIEOANNE-OAGGEKHMSA-N 2 1 262.441 3.053 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3CCC2CC2)cc1 ZINC001235247266 819048422 /nfs/dbraw/zinc/04/84/22/819048422.db2.gz CTQTYHSFPVXUHC-QZTJIDSGSA-N 2 1 270.420 3.008 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235264704 819057193 /nfs/dbraw/zinc/05/71/93/819057193.db2.gz AKMJWAMAYFXCBR-RDTXWAMCSA-N 2 1 284.378 3.163 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235264704 819057198 /nfs/dbraw/zinc/05/71/98/819057198.db2.gz AKMJWAMAYFXCBR-RDTXWAMCSA-N 2 1 284.378 3.163 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235273364 819059118 /nfs/dbraw/zinc/05/91/18/819059118.db2.gz RNDYUVDTCPAWHH-DZGCQCFKSA-N 2 1 286.444 3.394 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3cccc(Oc4ccc(F)cc4)c3)C[C@@H]12 ZINC001235283163 819060557 /nfs/dbraw/zinc/06/05/57/819060557.db2.gz DJDLEBXKTMRICS-BCDXTJNWSA-N 2 1 298.361 3.007 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3cccc(Oc4ccc(F)cc4)c3)C[C@@H]12 ZINC001235283163 819060564 /nfs/dbraw/zinc/06/05/64/819060564.db2.gz DJDLEBXKTMRICS-BCDXTJNWSA-N 2 1 298.361 3.007 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(/C=C/c4ccccc4)cc3)C[C@@H]12 ZINC001235285870 819060895 /nfs/dbraw/zinc/06/08/95/819060895.db2.gz VKONIGXXKCQXSA-BONNWBAGSA-N 2 1 290.410 3.246 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1 ZINC001235338820 819070968 /nfs/dbraw/zinc/07/09/68/819070968.db2.gz CKCXILYHGQJJHU-OAHLLOKOSA-N 2 1 272.436 3.025 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342118 819072563 /nfs/dbraw/zinc/07/25/63/819072563.db2.gz SUEMWJZIIBDPQT-QGZUEGPWSA-N 2 1 264.457 3.444 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1C ZINC001235407472 819087235 /nfs/dbraw/zinc/08/72/35/819087235.db2.gz SBJFMIIDGDMFMU-QZTJIDSGSA-N 2 1 290.426 3.135 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235408952 819087580 /nfs/dbraw/zinc/08/75/80/819087580.db2.gz VJKUKSFVURLDQQ-ZWKOTPCHSA-N 2 1 290.426 3.334 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410061 819090132 /nfs/dbraw/zinc/09/01/32/819090132.db2.gz XHFXEVVGXFXALY-ZWKOTPCHSA-N 2 1 290.426 3.081 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235428965 819094196 /nfs/dbraw/zinc/09/41/96/819094196.db2.gz VZYAVEIHLCGMCR-CVEARBPZSA-N 2 1 290.426 3.346 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235432645 819095615 /nfs/dbraw/zinc/09/56/15/819095615.db2.gz PGDDVABNEIPBEV-UHFFFAOYSA-N 2 1 298.883 3.493 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235432647 819095840 /nfs/dbraw/zinc/09/58/40/819095840.db2.gz PTZBTHJQOYIVCS-UHFFFAOYSA-N 2 1 266.816 3.080 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)CC3CC[NH2+]CC3)cc21 ZINC001235433728 819096080 /nfs/dbraw/zinc/09/60/80/819096080.db2.gz NHSWTXIXSFARSW-UHFFFAOYSA-N 2 1 285.435 3.093 20 0 CGADMP C[N@@H+](CCC(C)(C)c1ccccc1)CC1CC[NH2+]CC1 ZINC001235433674 819096367 /nfs/dbraw/zinc/09/63/67/819096367.db2.gz VSGIOADBORPXCH-UHFFFAOYSA-N 2 1 274.452 3.286 20 0 CGADMP C[N@H+](Cc1c(F)ccc(Cl)c1F)CC1CC[NH2+]CC1 ZINC001235433967 819096397 /nfs/dbraw/zinc/09/63/97/819096397.db2.gz TWMMVRINBPTODE-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP C[N@H+](Cc1cc(F)c(Cl)cc1F)CC1CC[NH2+]CC1 ZINC001235433489 819096445 /nfs/dbraw/zinc/09/64/45/819096445.db2.gz JOZLBRJMGHPGBJ-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663109 819132335 /nfs/dbraw/zinc/13/23/35/819132335.db2.gz QRYSGYGCTBECRQ-GOEBONIOSA-N 2 1 296.405 3.389 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663109 819132339 /nfs/dbraw/zinc/13/23/39/819132339.db2.gz QRYSGYGCTBECRQ-GOEBONIOSA-N 2 1 296.405 3.389 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC001235677334 819138396 /nfs/dbraw/zinc/13/83/96/819138396.db2.gz ZSIFJCIDMQFJDT-ZDUSSCGKSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC001235677334 819138399 /nfs/dbraw/zinc/13/83/99/819138399.db2.gz ZSIFJCIDMQFJDT-ZDUSSCGKSA-N 2 1 266.816 3.128 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235694765 819143509 /nfs/dbraw/zinc/14/35/09/819143509.db2.gz TXWKQPLYDURINB-GOSISDBHSA-N 2 1 272.436 3.487 20 0 CGADMP c1ccc(C[C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235713437 819148426 /nfs/dbraw/zinc/14/84/26/819148426.db2.gz AEXHEVALQYGBPT-GOSISDBHSA-N 2 1 292.426 3.354 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711141 819148881 /nfs/dbraw/zinc/14/88/81/819148881.db2.gz KKQUBOIJTKZXRR-OAHLLOKOSA-N 2 1 250.430 3.054 20 0 CGADMP C[N@H+](CCc1ccc(Cl)cc1)CCC1CC[NH2+]CC1 ZINC001235715191 819150076 /nfs/dbraw/zinc/15/00/76/819150076.db2.gz ROPLDRLRLPNKFN-UHFFFAOYSA-N 2 1 280.843 3.204 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235724176 819153154 /nfs/dbraw/zinc/15/31/54/819153154.db2.gz FJEQCRDVVOQAOU-LBPRGKRZSA-N 2 1 260.406 3.133 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC001235724176 819153161 /nfs/dbraw/zinc/15/31/61/819153161.db2.gz FJEQCRDVVOQAOU-LBPRGKRZSA-N 2 1 260.406 3.133 20 0 CGADMP CC[C@H]1CCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235725207 819153647 /nfs/dbraw/zinc/15/36/47/819153647.db2.gz JUGGESGWCURIBU-INIZCTEOSA-N 2 1 283.419 3.119 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC001235725702 819153739 /nfs/dbraw/zinc/15/37/39/819153739.db2.gz MRGYEQWTTOBQAN-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC001235727470 819155571 /nfs/dbraw/zinc/15/55/71/819155571.db2.gz XUCCGZTWJIKURZ-UHFFFAOYSA-N 2 1 274.452 3.459 20 0 CGADMP FC(F)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235810733 819172767 /nfs/dbraw/zinc/17/27/67/819172767.db2.gz NEPWVJXKJCYBQA-CYBMUJFWSA-N 2 1 274.399 3.276 20 0 CGADMP FC(F)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235810733 819172773 /nfs/dbraw/zinc/17/27/73/819172773.db2.gz NEPWVJXKJCYBQA-CYBMUJFWSA-N 2 1 274.399 3.276 20 0 CGADMP C[N@@H+](CCc1c(Cl)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235841281 819183286 /nfs/dbraw/zinc/18/32/86/819183286.db2.gz CVVMAGRRXPWNIT-NSHDSACASA-N 2 1 287.234 3.077 20 0 CGADMP C[N@H+](Cc1ccccc1-c1cccs1)C[C@@H]1CC[NH2+]C1 ZINC001235841740 819183850 /nfs/dbraw/zinc/18/38/50/819183850.db2.gz ILPHAXYJXLAIFE-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)s1 ZINC001235843529 819184942 /nfs/dbraw/zinc/18/49/42/819184942.db2.gz YEMZXEITKFGUJE-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP Clc1ccc([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001235881095 819194680 /nfs/dbraw/zinc/19/46/80/819194680.db2.gz DULAKUPAVOVOLG-AAEUAGOBSA-N 2 1 299.245 3.392 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001235881095 819194685 /nfs/dbraw/zinc/19/46/85/819194685.db2.gz DULAKUPAVOVOLG-AAEUAGOBSA-N 2 1 299.245 3.392 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929263 819227220 /nfs/dbraw/zinc/22/72/20/819227220.db2.gz JTCOONSVGVPPCV-HFZJXRFXSA-N 2 1 250.430 3.054 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235930946 819229301 /nfs/dbraw/zinc/22/93/01/819229301.db2.gz YLTCFMOCVJNIQB-WBVHZDCISA-N 2 1 280.415 3.190 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235933928 819231445 /nfs/dbraw/zinc/23/14/45/819231445.db2.gz AKDVUTNDUAZWKB-PKOBYXMFSA-N 2 1 292.426 3.395 20 0 CGADMP COCCC[N@@H+](C[C@@H]1CCC(C)=C[C@H]1C)C1CC[NH2+]CC1 ZINC001235935933 819232040 /nfs/dbraw/zinc/23/20/40/819232040.db2.gz NAZCGLKQBDFGRK-SJORKVTESA-N 2 1 294.483 3.069 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC001235936072 819232751 /nfs/dbraw/zinc/23/27/51/819232751.db2.gz ZIPCJVRZICYKRT-INIZCTEOSA-N 2 1 276.399 3.005 20 0 CGADMP C[N@@H+](CCCc1ccccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC001235952561 819243505 /nfs/dbraw/zinc/24/35/05/819243505.db2.gz ZOUMXFMVFXVYTA-CQSZACIVSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956784 819244204 /nfs/dbraw/zinc/24/42/04/819244204.db2.gz IBEYFSFBIZWUJD-MRXNPFEDSA-N 2 1 274.452 3.416 20 0 CGADMP C[N@H+](Cc1cccc2sccc21)C[C@@H]1CCC[NH2+]C1 ZINC001235956956 819244446 /nfs/dbraw/zinc/24/44/46/819244446.db2.gz IVGNPYUVWLLUFR-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)C[C@@H]1CCC[NH2+]C1 ZINC001235957878 819245670 /nfs/dbraw/zinc/24/56/70/819245670.db2.gz VOZMXJGFFFZLSV-OAHLLOKOSA-N 2 1 284.403 3.378 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)o1)C[C@@H]1CCC[NH2+]C1 ZINC001235957878 819245677 /nfs/dbraw/zinc/24/56/77/819245677.db2.gz VOZMXJGFFFZLSV-OAHLLOKOSA-N 2 1 284.403 3.378 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235981558 819258793 /nfs/dbraw/zinc/25/87/93/819258793.db2.gz WTPDZPQUKULVBJ-SWLSCSKDSA-N 2 1 299.245 3.349 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235981558 819258798 /nfs/dbraw/zinc/25/87/98/819258798.db2.gz WTPDZPQUKULVBJ-SWLSCSKDSA-N 2 1 299.245 3.349 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981849 819259150 /nfs/dbraw/zinc/25/91/50/819259150.db2.gz XSMKKVFZDCDQNB-ZOBUZTSGSA-N 2 1 282.472 3.031 20 0 CGADMP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@H+](CC2CCCCC2)C3)cc1 ZINC001236004143 819268515 /nfs/dbraw/zinc/26/85/15/819268515.db2.gz BZGBRIZATMMFIC-MOPGFXCFSA-N 2 1 284.447 3.040 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]2C2CCCCC2)CO1 ZINC001236041905 819280405 /nfs/dbraw/zinc/28/04/05/819280405.db2.gz NNHHYLVVEUPGPO-JKSUJKDBSA-N 2 1 280.456 3.146 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H]2C2CCCCC2)CO1 ZINC001236041905 819280409 /nfs/dbraw/zinc/28/04/09/819280409.db2.gz NNHHYLVVEUPGPO-JKSUJKDBSA-N 2 1 280.456 3.146 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001236045054 819281520 /nfs/dbraw/zinc/28/15/20/819281520.db2.gz RVUGKJUXEXYZKO-XABYNWHXSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001236045054 819281527 /nfs/dbraw/zinc/28/15/27/819281527.db2.gz RVUGKJUXEXYZKO-XABYNWHXSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236071324 819300374 /nfs/dbraw/zinc/30/03/74/819300374.db2.gz JEHNUDOFLOZZDY-OAHLLOKOSA-N 2 1 284.447 3.213 20 0 CGADMP Clc1ccccc1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC001236071183 819301176 /nfs/dbraw/zinc/30/11/76/819301176.db2.gz FIFBGRVWAXLOCQ-ZDUSSCGKSA-N 2 1 278.827 3.129 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCC(C)=C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236180209 819358242 /nfs/dbraw/zinc/35/82/42/819358242.db2.gz CPBKUUXMRHJQMX-HOTGVXAUSA-N 2 1 264.457 3.443 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)CC1(F)CC[NH2+]CC1 ZINC001236183068 819360524 /nfs/dbraw/zinc/36/05/24/819360524.db2.gz CSAISQWGPWBSNT-UHFFFAOYSA-N 2 1 286.394 3.363 20 0 CGADMP C[N@H+](Cc1c[nH]c2cccc(F)c12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212434 819374989 /nfs/dbraw/zinc/37/49/89/819374989.db2.gz LMMZPXLXDWXCFN-DZGCQCFKSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cccc(F)c12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212434 819374995 /nfs/dbraw/zinc/37/49/95/819374995.db2.gz LMMZPXLXDWXCFN-DZGCQCFKSA-N 2 1 275.371 3.009 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])ccc2n1 ZINC001236214834 819377607 /nfs/dbraw/zinc/37/76/07/819377607.db2.gz FRKZZJRXTHAHIC-AEFFLSMTSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])ccc2n1 ZINC001236214834 819377610 /nfs/dbraw/zinc/37/76/10/819377610.db2.gz FRKZZJRXTHAHIC-AEFFLSMTSA-N 2 1 283.419 3.245 20 0 CGADMP CCc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(CC)c1O ZINC001236214787 819377701 /nfs/dbraw/zinc/37/77/01/819377701.db2.gz FFBBHHCHSRYXCE-IRXDYDNUSA-N 2 1 290.451 3.219 20 0 CGADMP CCc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(CC)c1O ZINC001236214787 819377709 /nfs/dbraw/zinc/37/77/09/819377709.db2.gz FFBBHHCHSRYXCE-IRXDYDNUSA-N 2 1 290.451 3.219 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC001236219762 819385368 /nfs/dbraw/zinc/38/53/68/819385368.db2.gz XIVJCHKAIRGXKT-DLBZAZTESA-N 2 1 290.451 3.484 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC001236219762 819385372 /nfs/dbraw/zinc/38/53/72/819385372.db2.gz XIVJCHKAIRGXKT-DLBZAZTESA-N 2 1 290.451 3.484 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC001236219694 819385888 /nfs/dbraw/zinc/38/58/88/819385888.db2.gz XMUVKZRLCCIDSD-IAGOWNOFSA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC001236219694 819385895 /nfs/dbraw/zinc/38/58/95/819385895.db2.gz XMUVKZRLCCIDSD-IAGOWNOFSA-N 2 1 276.424 3.095 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(C)c1F ZINC001236220025 819386001 /nfs/dbraw/zinc/38/60/01/819386001.db2.gz YCUHKBUIXKYYLJ-HUUCEWRRSA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(C)c1F ZINC001236220025 819386004 /nfs/dbraw/zinc/38/60/04/819386004.db2.gz YCUHKBUIXKYYLJ-HUUCEWRRSA-N 2 1 264.388 3.144 20 0 CGADMP COc1c(C)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1C ZINC001236220798 819387488 /nfs/dbraw/zinc/38/74/88/819387488.db2.gz ZFXRMBSCQPEBPD-HOTGVXAUSA-N 2 1 276.424 3.014 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1C ZINC001236220798 819387498 /nfs/dbraw/zinc/38/74/98/819387498.db2.gz ZFXRMBSCQPEBPD-HOTGVXAUSA-N 2 1 276.424 3.014 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1CC ZINC001236226145 819390769 /nfs/dbraw/zinc/39/07/69/819390769.db2.gz KINBGWRKVRXQII-UHFFFAOYSA-N 2 1 290.451 3.222 20 0 CGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1C ZINC001236245160 819402162 /nfs/dbraw/zinc/40/21/62/819402162.db2.gz PSRFBTWGJHINKH-AEFFLSMTSA-N 2 1 272.436 3.440 20 0 CGADMP Clc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236314031 819420464 /nfs/dbraw/zinc/42/04/64/819420464.db2.gz GWJRIBHQXJJOAA-TXEJJXNPSA-N 2 1 299.245 3.425 20 0 CGADMP C[C@H](CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)CC(C)(C)C ZINC001236315062 819421095 /nfs/dbraw/zinc/42/10/95/819421095.db2.gz VGMWTWWTKOHTAP-OAGGEKHMSA-N 2 1 266.473 3.380 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C)c1 ZINC001236314441 819421248 /nfs/dbraw/zinc/42/12/48/819421248.db2.gz MGSHWRUUFHOQDD-CALCHBBNSA-N 2 1 272.436 3.043 20 0 CGADMP CCSc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320383 819424258 /nfs/dbraw/zinc/42/42/58/819424258.db2.gz BDILNXBKQQQZET-GASCZTMLSA-N 2 1 290.476 3.230 20 0 CGADMP C(C1CCCC1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236369636 819439128 /nfs/dbraw/zinc/43/91/28/819439128.db2.gz BBFUYZZZQVEXNE-INIZCTEOSA-N 2 1 264.457 3.421 20 0 CGADMP CC[N@H+](Cc1ccc(CC(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236408018 819455481 /nfs/dbraw/zinc/45/54/81/819455481.db2.gz JSEDVUMUOFZPHI-SFHVURJKSA-N 2 1 274.452 3.317 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001236417149 819463750 /nfs/dbraw/zinc/46/37/50/819463750.db2.gz XLQSQEGQCRXRHL-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001236417149 819463755 /nfs/dbraw/zinc/46/37/55/819463755.db2.gz XLQSQEGQCRXRHL-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236420705 819467046 /nfs/dbraw/zinc/46/70/46/819467046.db2.gz QKVWPVLCJZFEMV-KUHUBIRLSA-N 2 1 296.414 3.371 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236420705 819467048 /nfs/dbraw/zinc/46/70/48/819467048.db2.gz QKVWPVLCJZFEMV-KUHUBIRLSA-N 2 1 296.414 3.371 20 0 CGADMP CC(C)[N@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236469617 819490887 /nfs/dbraw/zinc/49/08/87/819490887.db2.gz ULVZCVAKECFRIR-QGZVFWFLSA-N 2 1 283.419 3.197 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236469617 819490891 /nfs/dbraw/zinc/49/08/91/819490891.db2.gz ULVZCVAKECFRIR-QGZVFWFLSA-N 2 1 283.419 3.197 20 0 CGADMP Clc1cccc(CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584510 819545572 /nfs/dbraw/zinc/54/55/72/819545572.db2.gz GABCWHFBHYKAQF-HNNXBMFYSA-N 2 1 292.854 3.347 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4occc43)C2)CC1 ZINC001236736710 819586385 /nfs/dbraw/zinc/58/63/85/819586385.db2.gz GDPFPPQCXDKGMB-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP CCC[N@H+](Cc1cc(C)ccc1OCC)C[C@@H]1CC[NH2+]C1 ZINC001236833454 819612889 /nfs/dbraw/zinc/61/28/89/819612889.db2.gz BNCPYKXITWOELM-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP CCC[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236835706 819615113 /nfs/dbraw/zinc/61/51/13/819615113.db2.gz PGAGHNTUHOUDNT-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236835706 819615117 /nfs/dbraw/zinc/61/51/17/819615117.db2.gz PGAGHNTUHOUDNT-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1cc2cc(C)ccc2[nH]1)C[C@H]1CC[NH2+]C1 ZINC001236836003 819615224 /nfs/dbraw/zinc/61/52/24/819615224.db2.gz SITZPGDMAMOQBS-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@H+](Cc1c(C)cccc1C)C[C@H]1CC[NH2+]C1 ZINC001236836551 819616850 /nfs/dbraw/zinc/61/68/50/819616850.db2.gz XFPAHFPWAPRWLJ-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP CCC[N@H+](Cc1cc(F)cc(OCC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843164 819618479 /nfs/dbraw/zinc/61/84/79/819618479.db2.gz LHFQGPIXVFSXHL-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237056168 819654588 /nfs/dbraw/zinc/65/45/88/819654588.db2.gz HDYWALUXMVVJOU-SFHVURJKSA-N 2 1 290.451 3.426 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237057343 819657082 /nfs/dbraw/zinc/65/70/82/819657082.db2.gz KZSFIXXXPQVRGE-JKSUJKDBSA-N 2 1 252.446 3.430 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001237187045 819691359 /nfs/dbraw/zinc/69/13/59/819691359.db2.gz BQPHSLYYPJNIIE-PPUGGXLSSA-N 2 1 272.436 3.343 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(N)c1 ZINC001237221994 819702679 /nfs/dbraw/zinc/70/26/79/819702679.db2.gz AYPVNLGMYTWZSH-ZWKOTPCHSA-N 2 1 287.451 3.108 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC001237221994 819702682 /nfs/dbraw/zinc/70/26/82/819702682.db2.gz AYPVNLGMYTWZSH-ZWKOTPCHSA-N 2 1 287.451 3.108 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC001237221994 819702686 /nfs/dbraw/zinc/70/26/86/819702686.db2.gz AYPVNLGMYTWZSH-ZWKOTPCHSA-N 2 1 287.451 3.108 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001237326654 819728060 /nfs/dbraw/zinc/72/80/60/819728060.db2.gz STAHHHADNLOONW-UHFFFAOYSA-N 2 1 290.426 3.360 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cccc3CC)C[C@@H]2C1 ZINC001237331564 819730872 /nfs/dbraw/zinc/73/08/72/819730872.db2.gz ZVDCZNZRFPCXLP-HDICACEKSA-N 2 1 286.463 3.331 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cccc3CC)C[C@@H]2C1 ZINC001237331564 819730876 /nfs/dbraw/zinc/73/08/76/819730876.db2.gz ZVDCZNZRFPCXLP-HDICACEKSA-N 2 1 286.463 3.331 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cccc3CC)C[C@@H]2C1 ZINC001237331564 819730881 /nfs/dbraw/zinc/73/08/81/819730881.db2.gz ZVDCZNZRFPCXLP-HDICACEKSA-N 2 1 286.463 3.331 20 0 CGADMP CCCCC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359091 819735571 /nfs/dbraw/zinc/73/55/71/819735571.db2.gz NGBNIFIYKUZTML-UHFFFAOYSA-N 2 1 258.409 3.271 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237391317 819741728 /nfs/dbraw/zinc/74/17/28/819741728.db2.gz KYQNDJCQLCZQBY-HKUYNNGSSA-N 2 1 296.414 3.119 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395120 819743831 /nfs/dbraw/zinc/74/38/31/819743831.db2.gz XDWOYMDOLMOICV-SJLPKXTDSA-N 2 1 297.446 3.235 20 0 CGADMP c1cc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2s1 ZINC001237414539 819746336 /nfs/dbraw/zinc/74/63/36/819746336.db2.gz LOAJGBMXNTUSQV-CVEARBPZSA-N 2 1 286.444 3.475 20 0 CGADMP c1cc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2s1 ZINC001237414539 819746343 /nfs/dbraw/zinc/74/63/43/819746343.db2.gz LOAJGBMXNTUSQV-CVEARBPZSA-N 2 1 286.444 3.475 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237413949 819747304 /nfs/dbraw/zinc/74/73/04/819747304.db2.gz JYEBCOJXCIGBCM-FUHWJXTLSA-N 2 1 295.430 3.051 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237417177 819748531 /nfs/dbraw/zinc/74/85/31/819748531.db2.gz TUHQHFRHZCSKKP-YOEHRIQHSA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237417177 819748539 /nfs/dbraw/zinc/74/85/39/819748539.db2.gz TUHQHFRHZCSKKP-YOEHRIQHSA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001238782065 820120289 /nfs/dbraw/zinc/12/02/89/820120289.db2.gz AKKNYOLYYIIWRI-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001238782065 820120291 /nfs/dbraw/zinc/12/02/91/820120291.db2.gz AKKNYOLYYIIWRI-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001238782065 820120297 /nfs/dbraw/zinc/12/02/97/820120297.db2.gz AKKNYOLYYIIWRI-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001238782065 820120304 /nfs/dbraw/zinc/12/03/04/820120304.db2.gz AKKNYOLYYIIWRI-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP c1cc2c[nH+]cc(-c3ccc(C[NH+]4CCOCC4)cc3)c2[nH]1 ZINC001240476562 821081471 /nfs/dbraw/zinc/08/14/71/821081471.db2.gz ZOQABMGXPVRVJQ-UHFFFAOYSA-N 2 1 293.370 3.062 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1cccc([C@H](C)[NH3+])c1 ZINC001241248922 821669525 /nfs/dbraw/zinc/66/95/25/821669525.db2.gz YXVBBHOZUHINDH-LBPRGKRZSA-N 2 1 255.365 3.143 20 0 CGADMP CC[NH+](CC)Cc1ccc(-c2ccc(N)[nH+]c2C)cc1 ZINC001241582377 821968250 /nfs/dbraw/zinc/96/82/50/821968250.db2.gz CTJDTNPEYUNBEW-UHFFFAOYSA-N 2 1 269.392 3.481 20 0 CGADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)(C)C ZINC001347792177 936896542 /nfs/dbraw/zinc/89/65/42/936896542.db2.gz OQNSVWUKPCRCSA-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001348852402 936936856 /nfs/dbraw/zinc/93/68/56/936936856.db2.gz LNXXWFCUMAVPRU-UONOGXRCSA-N 2 1 268.351 3.374 20 0 CGADMP COC[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC001351284980 937013726 /nfs/dbraw/zinc/01/37/26/937013726.db2.gz YMJFSRUABREPEP-IKGGRYGDSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1cc(F)cc(NCc2ccc(CC[NH+](C)C)cc2)[nH+]1 ZINC001354172131 937092732 /nfs/dbraw/zinc/09/27/32/937092732.db2.gz TXVKHKILWXFOMD-UHFFFAOYSA-N 2 1 287.382 3.245 20 0 CGADMP C[C@@H]([NH2+]CCC[NH3+])c1cc(Cl)cc(Cl)c1F ZINC000692391328 926802791 /nfs/dbraw/zinc/80/27/91/926802791.db2.gz ZYUHZNLERXWQBN-SSDOTTSWSA-N 2 1 265.159 3.132 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001460711034 937541088 /nfs/dbraw/zinc/54/10/88/937541088.db2.gz QPKPONGIVRVRSL-HUUCEWRRSA-N 2 1 299.393 3.492 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC001460697629 937541294 /nfs/dbraw/zinc/54/12/94/937541294.db2.gz SFOXNDZQVBJODH-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC001460697629 937541295 /nfs/dbraw/zinc/54/12/95/937541295.db2.gz SFOXNDZQVBJODH-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001461109678 937564270 /nfs/dbraw/zinc/56/42/70/937564270.db2.gz KOGVXSMTBQCRBW-UONOGXRCSA-N 2 1 261.413 3.064 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001461261168 937573097 /nfs/dbraw/zinc/57/30/97/937573097.db2.gz WXIBSNWAHBTVSJ-KZNAEPCWSA-N 2 1 294.483 3.188 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001461261168 937573099 /nfs/dbraw/zinc/57/30/99/937573099.db2.gz WXIBSNWAHBTVSJ-KZNAEPCWSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001461830551 937600522 /nfs/dbraw/zinc/60/05/22/937600522.db2.gz PPCOXYFIXOLTMZ-GBESFXJTSA-N 2 1 286.463 3.315 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2cccs2)CC1 ZINC001461883959 937604015 /nfs/dbraw/zinc/60/40/15/937604015.db2.gz JXVAAHJCHZWJPT-CYBMUJFWSA-N 2 1 266.454 3.473 20 0 CGADMP CCNc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC001461916384 937606299 /nfs/dbraw/zinc/60/62/99/937606299.db2.gz XUCXNKNUNDFKLE-INIZCTEOSA-N 2 1 289.467 3.282 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC001461916384 937606302 /nfs/dbraw/zinc/60/63/02/937606302.db2.gz XUCXNKNUNDFKLE-INIZCTEOSA-N 2 1 289.467 3.282 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235891171 932690979 /nfs/dbraw/zinc/69/09/79/932690979.db2.gz CTKKZRAOAGHNDA-XABYNWHXSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235891171 932690982 /nfs/dbraw/zinc/69/09/82/932690982.db2.gz CTKKZRAOAGHNDA-XABYNWHXSA-N 2 1 278.827 3.255 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)o1 ZINC001462471297 937643554 /nfs/dbraw/zinc/64/35/54/937643554.db2.gz LRQLQLWQOGPTPW-GOEBONIOSA-N 2 1 294.439 3.231 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)o1 ZINC001462471297 937643556 /nfs/dbraw/zinc/64/35/56/937643556.db2.gz LRQLQLWQOGPTPW-GOEBONIOSA-N 2 1 294.439 3.231 20 0 CGADMP CC[C@H](C)[C@H](C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)OC ZINC001462522386 937647135 /nfs/dbraw/zinc/64/71/35/937647135.db2.gz DJCDUEAXRUYGFM-WMZOPIPTSA-N 2 1 298.515 3.347 20 0 CGADMP CCC1(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC001308203139 933072596 /nfs/dbraw/zinc/07/25/96/933072596.db2.gz POCMUNHJTMFLCL-CALCHBBNSA-N 2 1 296.499 3.151 20 0 CGADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC001308299551 933091608 /nfs/dbraw/zinc/09/16/08/933091608.db2.gz FGZVRGDNCKSXRU-UHFFFAOYSA-N 2 1 294.389 3.461 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001308399877 933106681 /nfs/dbraw/zinc/10/66/81/933106681.db2.gz RAZOCAIQTIRZMO-IKGGRYGDSA-N 2 1 264.457 3.443 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001308399877 933106682 /nfs/dbraw/zinc/10/66/82/933106682.db2.gz RAZOCAIQTIRZMO-IKGGRYGDSA-N 2 1 264.457 3.443 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC001308555801 933131841 /nfs/dbraw/zinc/13/18/41/933131841.db2.gz YHKKBEDCIDMRMH-ZNMIVQPWSA-N 2 1 280.362 3.054 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)ccc2NC)C1 ZINC001308594722 933139956 /nfs/dbraw/zinc/13/99/56/933139956.db2.gz QJMDQBZUIYATPL-MRXNPFEDSA-N 2 1 289.467 3.200 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2NC)C1 ZINC001308594722 933139959 /nfs/dbraw/zinc/13/99/59/933139959.db2.gz QJMDQBZUIYATPL-MRXNPFEDSA-N 2 1 289.467 3.200 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001308753272 933169920 /nfs/dbraw/zinc/16/99/20/933169920.db2.gz NKSFJUCFKJCXCI-YJBOKZPZSA-N 2 1 272.436 3.411 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc2c1NCCC2 ZINC001308986652 933222961 /nfs/dbraw/zinc/22/29/61/933222961.db2.gz CBZBBISUVPFFCE-HNNXBMFYSA-N 2 1 289.467 3.255 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319210869 933843911 /nfs/dbraw/zinc/84/39/11/933843911.db2.gz GONNXXUXRCNFHE-KURKYZTESA-N 2 1 274.452 3.470 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319395801 933868482 /nfs/dbraw/zinc/86/84/82/933868482.db2.gz YJKKDDSNGLSRQH-BPLDGKMQSA-N 2 1 266.454 3.142 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913418 933956353 /nfs/dbraw/zinc/95/63/53/933956353.db2.gz UWIOOGXCJRACAB-PBHICJAKSA-N 2 1 293.430 3.239 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913418 933956363 /nfs/dbraw/zinc/95/63/63/933956363.db2.gz UWIOOGXCJRACAB-PBHICJAKSA-N 2 1 293.430 3.239 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC001321090257 934148452 /nfs/dbraw/zinc/14/84/52/934148452.db2.gz JQBMNQYQLMNPIO-XQLPTFJDSA-N 2 1 284.513 3.369 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(=C4CCC4)CC3)[C@@H]2C1 ZINC001474757060 934176714 /nfs/dbraw/zinc/17/67/14/934176714.db2.gz PCMZIEGVHKXSFZ-CGTJXYLNSA-N 2 1 274.452 3.339 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC001322634370 934323806 /nfs/dbraw/zinc/32/38/06/934323806.db2.gz TVXSVWRLYLEUOI-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC001325218123 934896073 /nfs/dbraw/zinc/89/60/73/934896073.db2.gz TXTKRRGROFGPJE-OWCLPIDISA-N 2 1 270.436 3.226 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC001325743594 934926237 /nfs/dbraw/zinc/92/62/37/934926237.db2.gz PMOQGLZTMNAAER-VHSXEESVSA-N 2 1 258.768 3.128 20 0 CGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cnc1Cl ZINC001328413398 935136051 /nfs/dbraw/zinc/13/60/51/935136051.db2.gz YMEDAZWUFOKSIZ-UHFFFAOYSA-N 2 1 293.842 3.009 20 0 CGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328764599 935168109 /nfs/dbraw/zinc/16/81/09/935168109.db2.gz OMJOAERUURJCCX-MCIONIFRSA-N 2 1 296.480 3.023 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC001329021999 935179421 /nfs/dbraw/zinc/17/94/21/935179421.db2.gz BDJHCYPAWQSUIG-IUODEOHRSA-N 2 1 296.842 3.450 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccn2C2CC2)C1 ZINC001331259152 935362094 /nfs/dbraw/zinc/36/20/94/935362094.db2.gz YYJBPVWKGFXCHA-HZPDHXFCSA-N 2 1 289.467 3.281 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001331288929 935365550 /nfs/dbraw/zinc/36/55/50/935365550.db2.gz NNDRAJVKTUUWQS-CQSZACIVSA-N 2 1 286.410 3.278 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1ccc(F)cc1F ZINC001331834696 935413139 /nfs/dbraw/zinc/41/31/39/935413139.db2.gz NNJFPYWOEGTXDL-QMTHXVAHSA-N 2 1 256.340 3.004 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001333891959 936074219 /nfs/dbraw/zinc/07/42/19/936074219.db2.gz NMKGGLJOSDWEMF-XYJFISCASA-N 2 1 290.426 3.296 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC001333924499 936075772 /nfs/dbraw/zinc/07/57/72/936075772.db2.gz PWMURWLHNKMVDH-HOTGVXAUSA-N 2 1 296.418 3.279 20 0 CGADMP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@@H+]1CCCC[C@@H]1C ZINC001334152707 936086902 /nfs/dbraw/zinc/08/69/02/936086902.db2.gz AXLKXSHMSCNHPN-RYUDHWBXSA-N 2 1 266.351 3.181 20 0 CGADMP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@H+]1CCCC[C@@H]1C ZINC001334152707 936086906 /nfs/dbraw/zinc/08/69/06/936086906.db2.gz AXLKXSHMSCNHPN-RYUDHWBXSA-N 2 1 266.351 3.181 20 0 CGADMP CCc1ccc(N[C@H](CC[NH+](C)C)c2cccnc2)[nH+]c1 ZINC001336726161 936211252 /nfs/dbraw/zinc/21/12/52/936211252.db2.gz MEYIMIILHKKWGA-MRXNPFEDSA-N 2 1 284.407 3.144 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC001336887590 936225408 /nfs/dbraw/zinc/22/54/08/936225408.db2.gz DDZPNTHADOSKFC-OKZBNKHCSA-N 2 1 297.446 3.330 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001474224497 937844751 /nfs/dbraw/zinc/84/47/51/937844751.db2.gz STPZJXQJFLQCGX-AWEZNQCLSA-N 2 1 286.419 3.278 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)ccc1Cl ZINC001474301434 937849544 /nfs/dbraw/zinc/84/95/44/937849544.db2.gz KHFVTNDDNXCNAX-IJEWVQPXSA-N 2 1 278.827 3.078 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001474409652 937858055 /nfs/dbraw/zinc/85/80/55/937858055.db2.gz HLWHFMOOECXNKP-OAHLLOKOSA-N 2 1 260.425 3.411 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1(C)C ZINC001474499162 937863161 /nfs/dbraw/zinc/86/31/61/937863161.db2.gz LWTOSNNVOMCIBI-IXDOHACOSA-N 2 1 296.499 3.290 20 0 CGADMP CC1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001474671688 937874167 /nfs/dbraw/zinc/87/41/67/937874167.db2.gz XIHKMHUBQDACFR-ZBCRRDGASA-N 2 1 250.430 3.172 20 0 CGADMP CC1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001474671688 937874168 /nfs/dbraw/zinc/87/41/68/937874168.db2.gz XIHKMHUBQDACFR-ZBCRRDGASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](CC1CCCCC1)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001474729954 937877620 /nfs/dbraw/zinc/87/76/20/937877620.db2.gz NWIGMMFEXWSXLJ-JQHSSLGASA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H](CC1CCCCC1)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001474729954 937877621 /nfs/dbraw/zinc/87/76/21/937877621.db2.gz NWIGMMFEXWSXLJ-JQHSSLGASA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H](CC1CCCCC1)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001474729954 937877622 /nfs/dbraw/zinc/87/76/22/937877622.db2.gz NWIGMMFEXWSXLJ-JQHSSLGASA-N 2 1 278.484 3.476 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc4ccccc4c3)C[C@H]2C1 ZINC001550540334 938167676 /nfs/dbraw/zinc/16/76/76/938167676.db2.gz BTIZSOZLQASQOH-VQTJNVASSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc4ccccc4c3)C[C@H]2C1 ZINC001550540334 938167677 /nfs/dbraw/zinc/16/76/77/938167677.db2.gz BTIZSOZLQASQOH-VQTJNVASSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@H]2C1 ZINC001550540334 938167678 /nfs/dbraw/zinc/16/76/78/938167678.db2.gz BTIZSOZLQASQOH-VQTJNVASSA-N 2 1 294.442 3.266 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 ZINC001550936555 938172849 /nfs/dbraw/zinc/17/28/49/938172849.db2.gz WDDOSTMRUNEFNA-HYVNUMGLSA-N 2 1 272.436 3.382 20 0 CGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001553816170 938200910 /nfs/dbraw/zinc/20/09/10/938200910.db2.gz KVCLFZXCDRMCLH-INIZCTEOSA-N 2 1 294.402 3.281 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC001560155911 938245430 /nfs/dbraw/zinc/24/54/30/938245430.db2.gz XSZZBJTUXKKYMI-KYJSFNMBSA-N 2 1 285.435 3.028 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCc2ccccc21 ZINC001560155615 938245500 /nfs/dbraw/zinc/24/55/00/938245500.db2.gz PTTJUWCBDSUYHT-DNVCBOLYSA-N 2 1 293.414 3.280 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(C)Cc2ccccc2C1 ZINC001560398033 938256741 /nfs/dbraw/zinc/25/67/41/938256741.db2.gz WTEFQHOREWGWPF-UHFFFAOYSA-N 2 1 295.430 3.042 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC001560523832 938261505 /nfs/dbraw/zinc/26/15/05/938261505.db2.gz QCUNHOOPUOEQRD-HUUCEWRRSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC(C)(C)C1 ZINC001560621834 938266091 /nfs/dbraw/zinc/26/60/91/938266091.db2.gz BLGDNMCXFSJJQD-ZVDSWSACSA-N 2 1 264.457 3.131 20 0 CGADMP CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CCCC1 ZINC001560882682 938281639 /nfs/dbraw/zinc/28/16/39/938281639.db2.gz VUDDBAAXLFXGFE-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CCCC1 ZINC001560882682 938281640 /nfs/dbraw/zinc/28/16/40/938281640.db2.gz VUDDBAAXLFXGFE-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001560972817 938287439 /nfs/dbraw/zinc/28/74/39/938287439.db2.gz ZFKGIVSXZUFZKU-WMLDXEAASA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001560972817 938287440 /nfs/dbraw/zinc/28/74/40/938287440.db2.gz ZFKGIVSXZUFZKU-WMLDXEAASA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001560972817 938287441 /nfs/dbraw/zinc/28/74/41/938287441.db2.gz ZFKGIVSXZUFZKU-WMLDXEAASA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001560972817 938287442 /nfs/dbraw/zinc/28/74/42/938287442.db2.gz ZFKGIVSXZUFZKU-WMLDXEAASA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cnc1Cl ZINC001257207949 960427233 /nfs/dbraw/zinc/42/72/33/960427233.db2.gz OGXFDBKQORJMCG-UHFFFAOYSA-N 2 1 281.831 3.006 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCc2ccccc2F)C1 ZINC001575116239 962342208 /nfs/dbraw/zinc/34/22/08/962342208.db2.gz QNGDTUBJMYRRQP-QGZVFWFLSA-N 2 1 278.415 3.065 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575531266 962391928 /nfs/dbraw/zinc/39/19/28/962391928.db2.gz NCDQIJPCZKWERO-HRCADAONSA-N 2 1 252.446 3.120 20 0 CGADMP C[C@@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC001576159725 962436054 /nfs/dbraw/zinc/43/60/54/962436054.db2.gz VGUQORHTBQOPMD-OAHLLOKOSA-N 2 1 293.414 3.126 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001576117421 962441440 /nfs/dbraw/zinc/44/14/40/962441440.db2.gz OISBZRUQNMIVQB-CCKFTAQKSA-N 2 1 298.430 3.075 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001576117421 962441449 /nfs/dbraw/zinc/44/14/49/962441449.db2.gz OISBZRUQNMIVQB-CCKFTAQKSA-N 2 1 298.430 3.075 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCC[NH2+]C1 ZINC001576503097 962468535 /nfs/dbraw/zinc/46/85/35/962468535.db2.gz LSSBMXKZJWKUPP-ROUUACIJSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC001576598297 962478997 /nfs/dbraw/zinc/47/89/97/962478997.db2.gz LMWMPNNABKWWEH-MGPQQGTHSA-N 2 1 296.405 3.203 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CCC(F)(F)CC1 ZINC001576747442 962491861 /nfs/dbraw/zinc/49/18/61/962491861.db2.gz ADTKVPWRZPCLNX-GFQSEFKGSA-N 2 1 274.399 3.177 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001577340983 962525671 /nfs/dbraw/zinc/52/56/71/962525671.db2.gz OBBBFPPJXZLKNI-JKSUJKDBSA-N 2 1 252.446 3.278 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC001577462848 962544483 /nfs/dbraw/zinc/54/44/83/962544483.db2.gz COFIHKKSHXSNKW-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c(C)c1 ZINC001577583482 962554679 /nfs/dbraw/zinc/55/46/79/962554679.db2.gz SOYTUDWRWAVNGG-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+](C)CCCCCC[NH3+] ZINC001579155241 962610363 /nfs/dbraw/zinc/61/03/63/962610363.db2.gz JLMOREYMHTWIIL-UHFFFAOYSA-N 2 1 284.831 3.300 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H](C[NH3+])C(C)C)cc1 ZINC001579202343 962610945 /nfs/dbraw/zinc/61/09/45/962610945.db2.gz TZJRGPUHAPZZMX-DOTOQJQBSA-N 2 1 276.424 3.063 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H](C[NH3+])C(C)C)cc1 ZINC001579202344 962611853 /nfs/dbraw/zinc/61/18/53/962611853.db2.gz TZJRGPUHAPZZMX-NVXWUHKLSA-N 2 1 276.424 3.063 20 0 CGADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC001579132961 962613650 /nfs/dbraw/zinc/61/36/50/962613650.db2.gz JSAHUTNAVRYDIA-UAGQMJEPSA-N 2 1 290.451 3.042 20 0 CGADMP Cc1cc(F)ccc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001579613660 962648947 /nfs/dbraw/zinc/64/89/47/962648947.db2.gz HNHVIRWAMXUBMF-OWCLPIDISA-N 2 1 276.399 3.000 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H](C[NH3+])C(C)C)cc1 ZINC001579684507 962651093 /nfs/dbraw/zinc/65/10/93/962651093.db2.gz HIFJTWASXBNHNN-QZTJIDSGSA-N 2 1 274.452 3.233 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)[nH]c2c1 ZINC001579740374 962665740 /nfs/dbraw/zinc/66/57/40/962665740.db2.gz MZLWPVIVVXODIC-SJORKVTESA-N 2 1 297.446 3.298 20 0 CGADMP Cc1cccc(C[N@H+](Cc2ccco2)CC2(C[NH3+])CC2)c1 ZINC001579761006 962668661 /nfs/dbraw/zinc/66/86/61/962668661.db2.gz UAASNFLNBHJVDH-UHFFFAOYSA-N 2 1 284.403 3.329 20 0 CGADMP Cc1cccc(C[N@@H+](Cc2ccco2)CC2(C[NH3+])CC2)c1 ZINC001579761006 962668673 /nfs/dbraw/zinc/66/86/73/962668673.db2.gz UAASNFLNBHJVDH-UHFFFAOYSA-N 2 1 284.403 3.329 20 0 CGADMP Fc1ccc(/C=C\C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC001580031100 962688293 /nfs/dbraw/zinc/68/82/93/962688293.db2.gz UQDDRMRXTSUICU-YKUAXSNGSA-N 2 1 292.373 3.054 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC001580031100 962688300 /nfs/dbraw/zinc/68/83/00/962688300.db2.gz UQDDRMRXTSUICU-YKUAXSNGSA-N 2 1 292.373 3.054 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CC2CCC2)C1)C1CCCC1 ZINC001580126699 962699411 /nfs/dbraw/zinc/69/94/11/962699411.db2.gz HYBWIFIKYLGJRA-WBVHZDCISA-N 2 1 264.457 3.406 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C(C)C ZINC000337413338 214065694 /nfs/dbraw/zinc/06/56/94/214065694.db2.gz YCXCIYPANTZXHH-OAGGEKHMSA-N 2 1 252.446 3.274 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000337421077 214072688 /nfs/dbraw/zinc/07/26/88/214072688.db2.gz FRWQJCMDNIZNIX-HOTGVXAUSA-N 2 1 262.441 3.173 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000337421077 214072690 /nfs/dbraw/zinc/07/26/90/214072690.db2.gz FRWQJCMDNIZNIX-HOTGVXAUSA-N 2 1 262.441 3.173 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000621328262 349497398 /nfs/dbraw/zinc/49/73/98/349497398.db2.gz MKJRSVWUUKPTAF-CYBMUJFWSA-N 2 1 278.465 3.275 20 0 CGADMP Clc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127746830 187329861 /nfs/dbraw/zinc/32/98/61/187329861.db2.gz WNBXRQNCZRJPBD-HZPDHXFCSA-N 2 1 278.827 3.099 20 0 CGADMP Cc1nc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)s1 ZINC000651492008 398253511 /nfs/dbraw/zinc/25/35/11/398253511.db2.gz RHUVCPRBHTXLMZ-NSHDSACASA-N 2 1 281.469 3.285 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000651676001 398267522 /nfs/dbraw/zinc/26/75/22/398267522.db2.gz KZYXUXWEHTXOMC-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651748662 398281195 /nfs/dbraw/zinc/28/11/95/398281195.db2.gz SYBCYBACXYYRHG-CQSZACIVSA-N 2 1 294.801 3.318 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c2ccccc12 ZINC000622004881 349620640 /nfs/dbraw/zinc/62/06/40/349620640.db2.gz WASAOIOPPDINSL-HNAYVOBHSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c2ccccc12 ZINC000622004881 349620643 /nfs/dbraw/zinc/62/06/43/349620643.db2.gz WASAOIOPPDINSL-HNAYVOBHSA-N 2 1 296.414 3.162 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000622004462 349621067 /nfs/dbraw/zinc/62/10/67/349621067.db2.gz PDQIUTJDGGGFNC-OALUTQOASA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000622004462 349621071 /nfs/dbraw/zinc/62/10/71/349621071.db2.gz PDQIUTJDGGGFNC-OALUTQOASA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000622003853 349621135 /nfs/dbraw/zinc/62/11/35/349621135.db2.gz GLWZIIBKCPEHDL-MJGOQNOKSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000622003853 349621137 /nfs/dbraw/zinc/62/11/37/349621137.db2.gz GLWZIIBKCPEHDL-MJGOQNOKSA-N 2 1 293.414 3.062 20 0 CGADMP CCCc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000337948160 214327855 /nfs/dbraw/zinc/32/78/55/214327855.db2.gz LJORGEVFZZRMOQ-UHFFFAOYSA-N 2 1 271.408 3.324 20 0 CGADMP CCc1cccc(F)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000337951816 214329221 /nfs/dbraw/zinc/32/92/21/214329221.db2.gz MRVPCLGGRZSQAH-UHFFFAOYSA-N 2 1 275.371 3.073 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000651866012 398299141 /nfs/dbraw/zinc/29/91/41/398299141.db2.gz QJRCTESOHBKUAK-LBPRGKRZSA-N 2 1 268.367 3.285 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651911018 398305530 /nfs/dbraw/zinc/30/55/30/398305530.db2.gz XUFFAHRVGVEEIG-CIRFHOKZSA-N 2 1 270.420 3.067 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000338018072 214363815 /nfs/dbraw/zinc/36/38/15/214363815.db2.gz HNJAQJMLBGKKJB-GFCCVEGCSA-N 2 1 263.429 3.242 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338024568 214367716 /nfs/dbraw/zinc/36/77/16/214367716.db2.gz UOSIIOPMVKQSCR-BMFZPTHFSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423456127 529453309 /nfs/dbraw/zinc/45/33/09/529453309.db2.gz DFRGADVOEFVEBI-WMZOPIPTSA-N 2 1 286.394 3.436 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423326815 529611166 /nfs/dbraw/zinc/61/11/66/529611166.db2.gz RDZNJAHOELDNCN-ZJUUUORDSA-N 2 1 258.818 3.180 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000268791747 282208755 /nfs/dbraw/zinc/20/87/55/282208755.db2.gz GRNDFSFCIFOLEM-CQSZACIVSA-N 2 1 273.380 3.088 20 0 CGADMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1Cl ZINC000623335930 349780656 /nfs/dbraw/zinc/78/06/56/349780656.db2.gz MIHHWOCADMDTCR-UHFFFAOYSA-N 2 1 284.831 3.026 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)CC1(C)C ZINC000623335919 349780799 /nfs/dbraw/zinc/78/07/99/349780799.db2.gz LUFZNXGHVKZASF-AWEZNQCLSA-N 2 1 266.816 3.302 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)CC1(C)C ZINC000623335919 349780801 /nfs/dbraw/zinc/78/08/01/349780801.db2.gz LUFZNXGHVKZASF-AWEZNQCLSA-N 2 1 266.816 3.302 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(OC(F)F)cc1 ZINC000423283707 529618976 /nfs/dbraw/zinc/61/89/76/529618976.db2.gz XIXVEXOUPJHRFY-KBPBESRZSA-N 2 1 286.366 3.312 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cc1F ZINC000423369559 529671533 /nfs/dbraw/zinc/67/15/33/529671533.db2.gz FZMCIUIDQFVIGD-WBIUFABUSA-N 2 1 268.351 3.146 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126313995 187232129 /nfs/dbraw/zinc/23/21/29/187232129.db2.gz DIPLJXSQRUQBHT-CHWSQXEVSA-N 2 1 272.396 3.100 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623381956 349795298 /nfs/dbraw/zinc/79/52/98/349795298.db2.gz QEHBVBCLJTXWNC-DOTOQJQBSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623396915 349797585 /nfs/dbraw/zinc/79/75/85/349797585.db2.gz JHBCXKFIALRTGJ-CQSZACIVSA-N 2 1 295.496 3.237 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)cn1 ZINC000126423896 187237975 /nfs/dbraw/zinc/23/79/75/187237975.db2.gz JEDCALRAKZDJCJ-ZIAGYGMSSA-N 2 1 298.434 3.490 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC(C)(C)CC1 ZINC000351183902 219083522 /nfs/dbraw/zinc/08/35/22/219083522.db2.gz NJIYNPWCCOVCSX-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCC(C)(C)CC1 ZINC000351183902 219083524 /nfs/dbraw/zinc/08/35/24/219083524.db2.gz NJIYNPWCCOVCSX-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCC(C)(C)CC1 ZINC000351183902 219083525 /nfs/dbraw/zinc/08/35/25/219083525.db2.gz NJIYNPWCCOVCSX-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020032 199303212 /nfs/dbraw/zinc/30/32/12/199303212.db2.gz ZYYHVYGBAPMXIP-KGLIPLIRSA-N 2 1 296.405 3.342 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020032 199303214 /nfs/dbraw/zinc/30/32/14/199303214.db2.gz ZYYHVYGBAPMXIP-KGLIPLIRSA-N 2 1 296.405 3.342 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020032 199303216 /nfs/dbraw/zinc/30/32/16/199303216.db2.gz ZYYHVYGBAPMXIP-KGLIPLIRSA-N 2 1 296.405 3.342 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020032 199303217 /nfs/dbraw/zinc/30/32/17/199303217.db2.gz ZYYHVYGBAPMXIP-KGLIPLIRSA-N 2 1 296.405 3.342 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2Cl)CC1(C)C ZINC000623471002 349816030 /nfs/dbraw/zinc/81/60/30/349816030.db2.gz KODPNKNUGJPAJM-ZDUSSCGKSA-N 2 1 296.842 3.181 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CC([NH3+])(CC)CC)s1 ZINC000423288075 529729637 /nfs/dbraw/zinc/72/96/37/529729637.db2.gz QKEBOPVOWAHDCY-JTQLQIEISA-N 2 1 269.458 3.182 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)CC1(C)C ZINC000623476906 349816598 /nfs/dbraw/zinc/81/65/98/349816598.db2.gz UKUVUHBZMZZRQX-LBPRGKRZSA-N 2 1 260.372 3.027 20 0 CGADMP Cc1ccsc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623482994 349817565 /nfs/dbraw/zinc/81/75/65/349817565.db2.gz PHCRMUZFSLOCKO-CYBMUJFWSA-N 2 1 266.454 3.061 20 0 CGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503345 349822074 /nfs/dbraw/zinc/82/20/74/349822074.db2.gz WBLWNHBCMQLQGB-VXGBXAGGSA-N 2 1 280.378 3.426 20 0 CGADMP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623540396 349830412 /nfs/dbraw/zinc/83/04/12/349830412.db2.gz XSVKPAZILHWISC-OAHLLOKOSA-N 2 1 278.415 3.139 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1F ZINC000623657224 349858469 /nfs/dbraw/zinc/85/84/69/349858469.db2.gz LOPFFKTZJMZVCV-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1F ZINC000623657224 349858473 /nfs/dbraw/zinc/85/84/73/349858473.db2.gz LOPFFKTZJMZVCV-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623656829 349858593 /nfs/dbraw/zinc/85/85/93/349858593.db2.gz CPNYWNMXQNLSHL-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1Cl ZINC000623657727 349859085 /nfs/dbraw/zinc/85/90/85/349859085.db2.gz XOYIXJFLTOLGBB-OAHLLOKOSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(Cl)c1 ZINC000623657354 349859529 /nfs/dbraw/zinc/85/95/29/349859529.db2.gz ONNKXTSZPIASRR-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(Cl)c1 ZINC000623657354 349859531 /nfs/dbraw/zinc/85/95/31/349859531.db2.gz ONNKXTSZPIASRR-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623657395 349859535 /nfs/dbraw/zinc/85/95/35/349859535.db2.gz PTFFLYYSWYNQKA-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000623657818 349859736 /nfs/dbraw/zinc/85/97/36/349859736.db2.gz ZQXFTWDYAXZLMY-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000623657818 349859737 /nfs/dbraw/zinc/85/97/37/349859737.db2.gz ZQXFTWDYAXZLMY-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000623654780 349857008 /nfs/dbraw/zinc/85/70/08/349857008.db2.gz IWTPNXMHDJMGBR-AWEZNQCLSA-N 2 1 298.377 3.110 20 0 CGADMP Cc1ccc(C)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623654616 349857091 /nfs/dbraw/zinc/85/70/91/349857091.db2.gz DOHBDRRBXDNTJU-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656897 349857622 /nfs/dbraw/zinc/85/76/22/349857622.db2.gz FDPIKUUMUACEDP-BHYGNILZSA-N 2 1 264.457 3.300 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2OCC)C1 ZINC000481029202 534957232 /nfs/dbraw/zinc/95/72/32/534957232.db2.gz ZMMFDJNMSQUVKL-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2OCC)C1 ZINC000481029202 534957238 /nfs/dbraw/zinc/95/72/38/534957238.db2.gz ZMMFDJNMSQUVKL-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCCO1 ZINC000623864365 349899539 /nfs/dbraw/zinc/89/95/39/349899539.db2.gz MWRUIAHJRAJGRB-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC000623881012 349904232 /nfs/dbraw/zinc/90/42/32/349904232.db2.gz ANZOTHJZBSOFEX-QGZVFWFLSA-N 2 1 271.408 3.193 20 0 CGADMP C[NH+]1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278865950 530050536 /nfs/dbraw/zinc/05/05/36/530050536.db2.gz MKCVDAODKBVIRK-UHFFFAOYSA-N 2 1 284.806 3.096 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050699 530059002 /nfs/dbraw/zinc/05/90/02/530059002.db2.gz VSXANGXAQGIHML-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050699 530059003 /nfs/dbraw/zinc/05/90/03/530059003.db2.gz VSXANGXAQGIHML-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050699 530059004 /nfs/dbraw/zinc/05/90/04/530059004.db2.gz VSXANGXAQGIHML-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000414200674 530060959 /nfs/dbraw/zinc/06/09/59/530060959.db2.gz XOEPEVVFANVKMY-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+](C)Cc1cccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623932072 349920599 /nfs/dbraw/zinc/92/05/99/349920599.db2.gz YCWFUXBAWXCEBE-INIZCTEOSA-N 2 1 275.440 3.033 20 0 CGADMP Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000037649737 344952003 /nfs/dbraw/zinc/95/20/03/344952003.db2.gz LRMXRSOXBWSMGZ-AWEZNQCLSA-N 2 1 281.403 3.439 20 0 CGADMP Cc1ccc(C2CC([NH2+]C[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000044533479 345013141 /nfs/dbraw/zinc/01/31/41/345013141.db2.gz CNKPHWVUMDGHLK-ZLPCBKJTSA-N 2 1 272.436 3.172 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000044533372 345012961 /nfs/dbraw/zinc/01/29/61/345012961.db2.gz LGHUHRRNRCXRIY-RDTXWAMCSA-N 2 1 288.435 3.078 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000044364571 345009519 /nfs/dbraw/zinc/00/95/19/345009519.db2.gz YJVSNWKXWJANJF-OAHLLOKOSA-N 2 1 283.419 3.055 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000086256417 345749249 /nfs/dbraw/zinc/74/92/49/345749249.db2.gz FMWDLFUQGHNCBN-QAPCUYQASA-N 2 1 283.419 3.015 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000091313900 345810469 /nfs/dbraw/zinc/81/04/69/345810469.db2.gz MEPUCRQTMDVRKJ-QGZVFWFLSA-N 2 1 271.408 3.487 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccnc1 ZINC000091333257 345810758 /nfs/dbraw/zinc/81/07/58/345810758.db2.gz WWAKIAWKINDWBG-FUHWJXTLSA-N 2 1 289.467 3.489 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2Cc3ccccc3C2)[C@H](C)C1 ZINC000090853749 345796145 /nfs/dbraw/zinc/79/61/45/345796145.db2.gz UTFCWLCCKKFQPE-DNVCBOLYSA-N 2 1 286.463 3.111 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000092806344 345858947 /nfs/dbraw/zinc/85/89/47/345858947.db2.gz NRJWBEUVMVYJHH-HOCLYGCPSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000092806344 345858948 /nfs/dbraw/zinc/85/89/48/345858948.db2.gz NRJWBEUVMVYJHH-HOCLYGCPSA-N 2 1 263.429 3.340 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597579 345884125 /nfs/dbraw/zinc/88/41/25/345884125.db2.gz URINYWOXYVEFIL-QRQLOZEOSA-N 2 1 284.447 3.208 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000124546973 346013035 /nfs/dbraw/zinc/01/30/35/346013035.db2.gz DBVKZAOOMAFEMC-CXAGYDPISA-N 2 1 254.377 3.151 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2C)[C@@H](C)C1 ZINC000351658601 219165787 /nfs/dbraw/zinc/16/57/87/219165787.db2.gz IXXFCFRMPVTSPO-WFASDCNBSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2C)[C@@H](C)C1 ZINC000351658601 219165789 /nfs/dbraw/zinc/16/57/89/219165789.db2.gz IXXFCFRMPVTSPO-WFASDCNBSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2C)[C@@H](C)C1 ZINC000351658601 219165790 /nfs/dbraw/zinc/16/57/90/219165790.db2.gz IXXFCFRMPVTSPO-WFASDCNBSA-N 2 1 266.454 3.219 20 0 CGADMP CCC[C@]1(COC)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000194935154 346271951 /nfs/dbraw/zinc/27/19/51/346271951.db2.gz NMRASGPVBJWSOR-QGZVFWFLSA-N 2 1 293.455 3.253 20 0 CGADMP CCC[C@]1(COC)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000194935154 346271953 /nfs/dbraw/zinc/27/19/53/346271953.db2.gz NMRASGPVBJWSOR-QGZVFWFLSA-N 2 1 293.455 3.253 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000236634889 346341745 /nfs/dbraw/zinc/34/17/45/346341745.db2.gz QZFJRWYIXNSIEK-UHFFFAOYSA-N 2 1 279.472 3.212 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000401866474 346592415 /nfs/dbraw/zinc/59/24/15/346592415.db2.gz HYPUXWFWXRVBBM-UHFFFAOYSA-N 2 1 271.408 3.050 20 0 CGADMP CCSCC[C@H](C)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000595884378 347370330 /nfs/dbraw/zinc/37/03/30/347370330.db2.gz DYAVXBFOVXYDPB-AWEZNQCLSA-N 2 1 292.492 3.296 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000351851279 219225463 /nfs/dbraw/zinc/22/54/63/219225463.db2.gz KZJVQYFHKLQJHX-VXGBXAGGSA-N 2 1 284.856 3.101 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624121809 349980004 /nfs/dbraw/zinc/98/00/04/349980004.db2.gz DIXHVDUZOUESIS-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624121809 349980006 /nfs/dbraw/zinc/98/00/06/349980006.db2.gz DIXHVDUZOUESIS-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000624122925 349981959 /nfs/dbraw/zinc/98/19/59/349981959.db2.gz BGCVEGYDWBWUOF-WMLDXEAASA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122502 349982097 /nfs/dbraw/zinc/98/20/97/349982097.db2.gz SWMZNWSBTGILKR-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000624123671 349982324 /nfs/dbraw/zinc/98/23/24/349982324.db2.gz QGFKRXGOCCBRCU-OAGGEKHMSA-N 2 1 296.499 3.290 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000624123955 349983027 /nfs/dbraw/zinc/98/30/27/349983027.db2.gz USSALYUKKLVZDD-KBXCAEBGSA-N 2 1 288.435 3.091 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)oc1C ZINC000624123375 349983328 /nfs/dbraw/zinc/98/33/28/349983328.db2.gz KXHBXYCDYMKNCA-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)oc1C ZINC000624123375 349983331 /nfs/dbraw/zinc/98/33/31/349983331.db2.gz KXHBXYCDYMKNCA-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339405475 215151176 /nfs/dbraw/zinc/15/11/76/215151176.db2.gz ALNGIZSUHUODPS-NEPJUHHUSA-N 2 1 284.806 3.081 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3c(F)cccc3Cl)C[C@@H]12 ZINC000339408338 215151759 /nfs/dbraw/zinc/15/17/59/215151759.db2.gz ZFBZUKUOFTZFLJ-NORZTCDRSA-N 2 1 296.817 3.081 20 0 CGADMP C[C@@H]1C[C@@H](C)[NH+](C/C=C/C[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000607155682 348226114 /nfs/dbraw/zinc/22/61/14/348226114.db2.gz YGIXCULNXGPMPI-LWHLLYOBSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](C/C=C/C[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000607155682 348226117 /nfs/dbraw/zinc/22/61/17/348226117.db2.gz YGIXCULNXGPMPI-LWHLLYOBSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](C/C=C/C[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000607155682 348226122 /nfs/dbraw/zinc/22/61/22/348226122.db2.gz YGIXCULNXGPMPI-LWHLLYOBSA-N 2 1 250.430 3.003 20 0 CGADMP COc1cccc([C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431272 215165829 /nfs/dbraw/zinc/16/58/29/215165829.db2.gz IVBFUYDDZAKGDE-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431272 215165831 /nfs/dbraw/zinc/16/58/31/215165831.db2.gz IVBFUYDDZAKGDE-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339431272 215165834 /nfs/dbraw/zinc/16/58/34/215165834.db2.gz IVBFUYDDZAKGDE-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339431272 215165836 /nfs/dbraw/zinc/16/58/36/215165836.db2.gz IVBFUYDDZAKGDE-MAUKXSAKSA-N 2 1 288.435 3.174 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000339428737 215162836 /nfs/dbraw/zinc/16/28/36/215162836.db2.gz LMTMWVZSIXUTPC-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000339428737 215162837 /nfs/dbraw/zinc/16/28/37/215162837.db2.gz LMTMWVZSIXUTPC-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000339428737 215162839 /nfs/dbraw/zinc/16/28/39/215162839.db2.gz LMTMWVZSIXUTPC-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000608061544 348280793 /nfs/dbraw/zinc/28/07/93/348280793.db2.gz JZJHYEHURXWCSJ-SBALYVHTSA-N 2 1 258.409 3.162 20 0 CGADMP C[C@H](F)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000339492205 215205229 /nfs/dbraw/zinc/20/52/29/215205229.db2.gz FAWHUTBTTLQKKP-AWEZNQCLSA-N 2 1 296.405 3.170 20 0 CGADMP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000358231311 233085836 /nfs/dbraw/zinc/08/58/36/233085836.db2.gz SBVYKSZHYVZYSQ-MOPGFXCFSA-N 2 1 284.447 3.008 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000618480611 349090896 /nfs/dbraw/zinc/09/08/96/349090896.db2.gz JWIDAOSOXLWSNA-UHFFFAOYSA-N 2 1 297.324 3.342 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000618480611 349090899 /nfs/dbraw/zinc/09/08/99/349090899.db2.gz JWIDAOSOXLWSNA-UHFFFAOYSA-N 2 1 297.324 3.342 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC000359190106 233277668 /nfs/dbraw/zinc/27/76/68/233277668.db2.gz MIKYOKJTESCTMF-GFCCVEGCSA-N 2 1 281.469 3.142 20 0 CGADMP C[C@@]1(c2ccccc2)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359219141 233281872 /nfs/dbraw/zinc/28/18/72/233281872.db2.gz NEWCNOBTBMBDAO-GOSISDBHSA-N 2 1 272.436 3.040 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](OCC)C2CC2)CC1 ZINC000625090452 350127291 /nfs/dbraw/zinc/12/72/91/350127291.db2.gz VRICZHBIBSEPAV-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP Oc1ccc(Cl)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000625139422 350132779 /nfs/dbraw/zinc/13/27/79/350132779.db2.gz DDFXCSUFDTUCIP-ZDUSSCGKSA-N 2 1 291.782 3.079 20 0 CGADMP Oc1ccc(Cl)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000625139422 350132782 /nfs/dbraw/zinc/13/27/82/350132782.db2.gz DDFXCSUFDTUCIP-ZDUSSCGKSA-N 2 1 291.782 3.079 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000359364276 233305653 /nfs/dbraw/zinc/30/56/53/233305653.db2.gz OOSSUTFJAUHYDN-AWEZNQCLSA-N 2 1 278.440 3.471 20 0 CGADMP CC[N@@H+](CCc1cccnc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063184 350254560 /nfs/dbraw/zinc/25/45/60/350254560.db2.gz UZWDGEYTQDAXFL-UHFFFAOYSA-N 2 1 297.446 3.208 20 0 CGADMP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000628200544 350436977 /nfs/dbraw/zinc/43/69/77/350436977.db2.gz QTLHDVSZJGOZNZ-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186735 350430176 /nfs/dbraw/zinc/43/01/76/350430176.db2.gz UYGDVODOVVTSAD-DLBZAZTESA-N 2 1 274.452 3.372 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186735 350430178 /nfs/dbraw/zinc/43/01/78/350430178.db2.gz UYGDVODOVVTSAD-DLBZAZTESA-N 2 1 274.452 3.372 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186735 350430181 /nfs/dbraw/zinc/43/01/81/350430181.db2.gz UYGDVODOVVTSAD-DLBZAZTESA-N 2 1 274.452 3.372 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000628280109 350475663 /nfs/dbraw/zinc/47/56/63/350475663.db2.gz QMYWDCUFMXDAHD-SFHVURJKSA-N 2 1 297.446 3.332 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC(F)(F)C1 ZINC000628339621 350505276 /nfs/dbraw/zinc/50/52/76/350505276.db2.gz RSCPWHMHOCFLGU-JSGCOSHPSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CC(F)(F)C1 ZINC000628339621 350505277 /nfs/dbraw/zinc/50/52/77/350505277.db2.gz RSCPWHMHOCFLGU-JSGCOSHPSA-N 2 1 286.410 3.417 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000462105619 282711034 /nfs/dbraw/zinc/71/10/34/282711034.db2.gz PMFUSCZQZZEHEM-AAEUAGOBSA-N 2 1 278.362 3.039 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2c1 ZINC000629528834 350703041 /nfs/dbraw/zinc/70/30/41/350703041.db2.gz KQZOOVOWNVWJGT-OAHLLOKOSA-N 2 1 283.419 3.104 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C[NH2+]1 ZINC000629542869 350708673 /nfs/dbraw/zinc/70/86/73/350708673.db2.gz NUCJWPHUPNISGS-NRSFXHEJSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000629545613 350709608 /nfs/dbraw/zinc/70/96/08/350709608.db2.gz MBZSVIUTOGVUCU-IUIKQTSFSA-N 2 1 278.827 3.001 20 0 CGADMP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629553201 350712036 /nfs/dbraw/zinc/71/20/36/350712036.db2.gz NYUJKGZBBQETQO-FVQBIDKESA-N 2 1 278.827 3.003 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(c3c(F)cccc3F)CCC2)C1 ZINC000629555668 350712637 /nfs/dbraw/zinc/71/26/37/350712637.db2.gz AKZUKTTTYCEYPX-NEPJUHHUSA-N 2 1 280.362 3.204 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629563501 350713810 /nfs/dbraw/zinc/71/38/10/350713810.db2.gz RAFYXFHCICIJAN-STQMWFEESA-N 2 1 278.362 3.026 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629385338 350686480 /nfs/dbraw/zinc/68/64/80/350686480.db2.gz OBDDMKFGRIXUKB-CJNGLKHVSA-N 2 1 290.476 3.214 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629397452 350689607 /nfs/dbraw/zinc/68/96/07/350689607.db2.gz VQNBUBXOGNNYPY-ZOBUZTSGSA-N 2 1 260.425 3.046 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)C[NH2+]1 ZINC000629415706 350691077 /nfs/dbraw/zinc/69/10/77/350691077.db2.gz RJETUOGALXTNOM-IWCQGFGOSA-N 2 1 258.409 3.053 20 0 CGADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(C2CCCC2)c1 ZINC000629652707 350731254 /nfs/dbraw/zinc/73/12/54/350731254.db2.gz CYZHVVWNGHHLKN-UHFFFAOYSA-N 2 1 290.451 3.012 20 0 CGADMP C[NH+](C)CC1(C[NH2+]Cc2ccc(C(F)F)nc2)CCCC1 ZINC000631113356 350959044 /nfs/dbraw/zinc/95/90/44/350959044.db2.gz WBPYLDCIGREPNZ-UHFFFAOYSA-N 2 1 297.393 3.231 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2csc(C)c2C)[C@H](C)C1 ZINC000631082775 350947551 /nfs/dbraw/zinc/94/75/51/350947551.db2.gz FAJHFHLLFKKLBD-ABAIWWIYSA-N 2 1 266.454 3.185 20 0 CGADMP CC1([NH+]2CCCC2)CCN(c2cc[nH+]cc2Cl)CC1 ZINC000631444875 351042028 /nfs/dbraw/zinc/04/20/28/351042028.db2.gz GJWOOSQEZBZHCB-UHFFFAOYSA-N 2 1 279.815 3.190 20 0 CGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631658807 351108422 /nfs/dbraw/zinc/10/84/22/351108422.db2.gz NLQVFQRLLJHCRX-ZFWWWQNUSA-N 2 1 270.436 3.367 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)[C@H](C)C1 ZINC000631665115 351109577 /nfs/dbraw/zinc/10/95/77/351109577.db2.gz ONWFUAFRVSJPJQ-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(C)ccn1 ZINC000631608294 351089237 /nfs/dbraw/zinc/08/92/37/351089237.db2.gz PXPVQROOIRUPAH-INIZCTEOSA-N 2 1 273.424 3.083 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000635010963 351629480 /nfs/dbraw/zinc/62/94/80/351629480.db2.gz LOPDMEFRKPMYAI-QWHCGFSZSA-N 2 1 264.413 3.271 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000339845081 215359984 /nfs/dbraw/zinc/35/99/84/215359984.db2.gz IHCONUWHRGQIIQ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000339845081 215359987 /nfs/dbraw/zinc/35/99/87/215359987.db2.gz IHCONUWHRGQIIQ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000339845081 215359989 /nfs/dbraw/zinc/35/99/89/215359989.db2.gz IHCONUWHRGQIIQ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000339845081 215359991 /nfs/dbraw/zinc/35/99/91/215359991.db2.gz IHCONUWHRGQIIQ-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121490064 186976033 /nfs/dbraw/zinc/97/60/33/186976033.db2.gz HDRRQFZTTIJZQV-YJBOKZPZSA-N 2 1 285.435 3.439 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124038239 187119755 /nfs/dbraw/zinc/11/97/55/187119755.db2.gz FYEOYUKYKPEYBO-SZMVWBNQSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000124038239 187119756 /nfs/dbraw/zinc/11/97/56/187119756.db2.gz FYEOYUKYKPEYBO-SZMVWBNQSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000124038239 187119757 /nfs/dbraw/zinc/11/97/57/187119757.db2.gz FYEOYUKYKPEYBO-SZMVWBNQSA-N 2 1 272.436 3.349 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000123361863 187087032 /nfs/dbraw/zinc/08/70/32/187087032.db2.gz AECWQADFTCRORR-HUUCEWRRSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000123361863 187087033 /nfs/dbraw/zinc/08/70/33/187087033.db2.gz AECWQADFTCRORR-HUUCEWRRSA-N 2 1 284.403 3.458 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CCOCC1 ZINC000366632597 234180054 /nfs/dbraw/zinc/18/00/54/234180054.db2.gz IJWSZCSXVHLFAB-YJBOKZPZSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000368101458 234280520 /nfs/dbraw/zinc/28/05/20/234280520.db2.gz KJBPFISKTIWDLM-ZBFHGGJFSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1cccc(C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000152473273 188021080 /nfs/dbraw/zinc/02/10/80/188021080.db2.gz AUITUYUTZUSTFB-PXNSSMCTSA-N 2 1 298.474 3.390 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000153463790 188083516 /nfs/dbraw/zinc/08/35/16/188083516.db2.gz ZENPHUZWKBNBPF-CJNGLKHVSA-N 2 1 285.391 3.010 20 0 CGADMP COCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157018325 188293364 /nfs/dbraw/zinc/29/33/64/188293364.db2.gz ZSNDRLQEHWSOEF-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157018325 188293366 /nfs/dbraw/zinc/29/33/66/188293366.db2.gz ZSNDRLQEHWSOEF-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157018325 188293367 /nfs/dbraw/zinc/29/33/67/188293367.db2.gz ZSNDRLQEHWSOEF-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP COCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157018325 188293369 /nfs/dbraw/zinc/29/33/69/188293369.db2.gz ZSNDRLQEHWSOEF-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)[C@H](C)C1 ZINC000157074277 188296299 /nfs/dbraw/zinc/29/62/99/188296299.db2.gz CTSJWIPKQMCWJT-CJNGLKHVSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000271700862 191281912 /nfs/dbraw/zinc/28/19/12/191281912.db2.gz MMAXWYLGXYFYIS-QGZVFWFLSA-N 2 1 287.382 3.388 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccccc4n3)CC[C@@H]21 ZINC000158764644 188393045 /nfs/dbraw/zinc/39/30/45/188393045.db2.gz LYNZTIKZFYZTSI-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC000537450859 288530228 /nfs/dbraw/zinc/53/02/28/288530228.db2.gz TUZFKAAHYGOIBU-UHFFFAOYSA-N 2 1 284.447 3.226 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1Cl ZINC000271848529 191365690 /nfs/dbraw/zinc/36/56/90/191365690.db2.gz ICXQRADEBHCLPS-LBPRGKRZSA-N 2 1 264.800 3.253 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000271868183 191378478 /nfs/dbraw/zinc/37/84/78/191378478.db2.gz LYTKJWIKGYERBP-OALUTQOASA-N 2 1 284.447 3.249 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000414181771 235356262 /nfs/dbraw/zinc/35/62/62/235356262.db2.gz MVJNRUZJLBGETR-HUUCEWRRSA-N 2 1 288.435 3.099 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414201152 235362274 /nfs/dbraw/zinc/36/22/74/235362274.db2.gz YDSFUXPPCNIOJF-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC(C)(C)C1 ZINC000035054404 291082598 /nfs/dbraw/zinc/08/25/98/291082598.db2.gz QWLRYEZZIUJVFJ-DZGCQCFKSA-N 2 1 264.457 3.418 20 0 CGADMP CCSCC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000273785842 192306242 /nfs/dbraw/zinc/30/62/42/192306242.db2.gz SYEAGGLMBMBUEM-AWEZNQCLSA-N 2 1 298.521 3.303 20 0 CGADMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000273785842 192306245 /nfs/dbraw/zinc/30/62/45/192306245.db2.gz SYEAGGLMBMBUEM-AWEZNQCLSA-N 2 1 298.521 3.303 20 0 CGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000094011644 283196079 /nfs/dbraw/zinc/19/60/79/283196079.db2.gz UIBIKBGJXMORIP-SFHVURJKSA-N 2 1 272.436 3.386 20 0 CGADMP CCCC[NH+](CCCC)CCCn1cc[nH+]c1C ZINC000104666150 138350413 /nfs/dbraw/zinc/35/04/13/138350413.db2.gz GLWKJBFJYRDUSJ-UHFFFAOYSA-N 2 1 251.418 3.484 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472448721 535350741 /nfs/dbraw/zinc/35/07/41/535350741.db2.gz PUTYTFACGXZGQV-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472448721 535350743 /nfs/dbraw/zinc/35/07/43/535350743.db2.gz PUTYTFACGXZGQV-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472448721 535350744 /nfs/dbraw/zinc/35/07/44/535350744.db2.gz PUTYTFACGXZGQV-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP Fc1c(Cl)cccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000125102866 138379955 /nfs/dbraw/zinc/37/99/55/138379955.db2.gz OCVRFRWRZRMLNE-CHWSQXEVSA-N 2 1 282.790 3.196 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+](CCC(F)(F)F)CC1CC1 ZINC000125166964 138380364 /nfs/dbraw/zinc/38/03/64/138380364.db2.gz UGHFZDTXAJKKHU-ZDUSSCGKSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](CCC(F)(F)F)CC1CC1 ZINC000125166964 138380365 /nfs/dbraw/zinc/38/03/65/138380365.db2.gz UGHFZDTXAJKKHU-ZDUSSCGKSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000125166964 138380366 /nfs/dbraw/zinc/38/03/66/138380366.db2.gz UGHFZDTXAJKKHU-ZDUSSCGKSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000125166964 138380367 /nfs/dbraw/zinc/38/03/67/138380367.db2.gz UGHFZDTXAJKKHU-ZDUSSCGKSA-N 2 1 278.362 3.135 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000129430156 138396641 /nfs/dbraw/zinc/39/66/41/138396641.db2.gz BUHCLAICOPXEIN-HLPPOEQASA-N 2 1 263.429 3.242 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CCCC3)CC[NH2+]2)cc1 ZINC000422899055 235939296 /nfs/dbraw/zinc/93/92/96/235939296.db2.gz NMBXSKPETVGZJP-IAGOWNOFSA-N 2 1 258.409 3.260 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423277658 236019601 /nfs/dbraw/zinc/01/96/01/236019601.db2.gz PQHOXVSHEBLJJY-JQWIXIFHSA-N 2 1 283.485 3.383 20 0 CGADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1OCc1ccccc1 ZINC000423301561 236030531 /nfs/dbraw/zinc/03/05/31/236030531.db2.gz HNIHPLBRAJVBKW-HNNXBMFYSA-N 2 1 296.414 3.136 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+]C[C@H]([NH3+])C3CC3)c(C)c2c1 ZINC000423336547 236043247 /nfs/dbraw/zinc/04/32/47/236043247.db2.gz XTXFJGHUFJPRSI-NHYWBVRUSA-N 2 1 288.391 3.138 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423369300 236053233 /nfs/dbraw/zinc/05/32/33/236053233.db2.gz OERDGSMJIXDIHS-TVQRCGJNSA-N 2 1 272.314 3.093 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cs1 ZINC000423494997 236086411 /nfs/dbraw/zinc/08/64/11/236086411.db2.gz BGFJLTZNWSXFBV-BXUZGUMPSA-N 2 1 252.427 3.225 20 0 CGADMP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C[C@H]3C)oc2c1 ZINC000423397211 236063077 /nfs/dbraw/zinc/06/30/77/236063077.db2.gz OGHPBWQEMLGLKA-VNHYZAJKSA-N 2 1 272.392 3.390 20 0 CGADMP CCOc1ccc([C@H](CC)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OCC ZINC000423453749 236074580 /nfs/dbraw/zinc/07/45/80/236074580.db2.gz YAPAVTLYKWEKDC-NFAWXSAZSA-N 2 1 294.439 3.260 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423496834 236087310 /nfs/dbraw/zinc/08/73/10/236087310.db2.gz FMVGYCFHTJJMRB-SJKOYZFVSA-N 2 1 296.405 3.393 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCCO2 ZINC000423520219 236091929 /nfs/dbraw/zinc/09/19/29/236091929.db2.gz DXSGMHMJEOCPNA-KRWDZBQOSA-N 2 1 288.435 3.249 20 0 CGADMP Cc1cc(F)c(CNC[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000424154370 236125589 /nfs/dbraw/zinc/12/55/89/236125589.db2.gz LQGWPLXWPMNLLM-CQSZACIVSA-N 2 1 296.405 3.483 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000424371372 236158455 /nfs/dbraw/zinc/15/84/55/236158455.db2.gz FZQIWFVOCAXDGT-MGPQQGTHSA-N 2 1 280.412 3.222 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1coc3ccccc13)CC[NH2+]CC2 ZINC000424385711 236158897 /nfs/dbraw/zinc/15/88/97/236158897.db2.gz WKTWWCGQCZCNKA-CQSZACIVSA-N 2 1 284.403 3.397 20 0 CGADMP COCC(C)(C)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000426413030 236293597 /nfs/dbraw/zinc/29/35/97/236293597.db2.gz QUPAIRYJMFVZEQ-KRWDZBQOSA-N 2 1 296.499 3.103 20 0 CGADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)cc2)cn1 ZINC000426492619 236299188 /nfs/dbraw/zinc/29/91/88/236299188.db2.gz SYZHBQMDMZKPFW-RDJZCZTQSA-N 2 1 267.376 3.247 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427121812 236323354 /nfs/dbraw/zinc/32/33/54/236323354.db2.gz LVTYHBLAOYFJCJ-DZGCQCFKSA-N 2 1 298.352 3.198 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311710 237079114 /nfs/dbraw/zinc/07/91/14/237079114.db2.gz UATSRIWHPCOQSV-ODVANORSSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311710 237079120 /nfs/dbraw/zinc/07/91/20/237079120.db2.gz UATSRIWHPCOQSV-ODVANORSSA-N 2 1 276.399 3.002 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCc2cccc(Cl)c2)C1 ZINC000297426454 200186407 /nfs/dbraw/zinc/18/64/07/200186407.db2.gz MTZAIOXRFHTTKG-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCc2cccc(Cl)c2)C1 ZINC000297426454 200186409 /nfs/dbraw/zinc/18/64/09/200186409.db2.gz MTZAIOXRFHTTKG-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCc2cccc(Cl)c2)C1 ZINC000297426454 200186410 /nfs/dbraw/zinc/18/64/10/200186410.db2.gz MTZAIOXRFHTTKG-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2cccc(Cl)c2)CC[N@@H+]1C ZINC000177061568 189025588 /nfs/dbraw/zinc/02/55/88/189025588.db2.gz BETZRYKDNLDWRV-UKRRQHHQSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2cccc(Cl)c2)CC[N@H+]1C ZINC000177061568 189025589 /nfs/dbraw/zinc/02/55/89/189025589.db2.gz BETZRYKDNLDWRV-UKRRQHHQSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2cccc(Cl)c2)CC[NH+]1C ZINC000177061568 189025590 /nfs/dbraw/zinc/02/55/90/189025590.db2.gz BETZRYKDNLDWRV-UKRRQHHQSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2cccc(Cl)c2)CC[NH+]1C ZINC000177061568 189025591 /nfs/dbraw/zinc/02/55/91/189025591.db2.gz BETZRYKDNLDWRV-UKRRQHHQSA-N 2 1 296.842 3.133 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341980922 216177399 /nfs/dbraw/zinc/17/73/99/216177399.db2.gz DDNPREOZSZWAPW-UHFFFAOYSA-N 2 1 289.345 3.246 20 0 CGADMP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000178012504 189085960 /nfs/dbraw/zinc/08/59/60/189085960.db2.gz PQEUQFFMVWYEET-INIZCTEOSA-N 2 1 292.467 3.432 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000178699549 189138031 /nfs/dbraw/zinc/13/80/31/189138031.db2.gz PKGQADNFTSVXSR-DEYYWGMASA-N 2 1 283.419 3.351 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178705420 189138950 /nfs/dbraw/zinc/13/89/50/189138950.db2.gz OEMZXMFETWTIPG-ZIAGYGMSSA-N 2 1 287.407 3.187 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000178755928 189142940 /nfs/dbraw/zinc/14/29/40/189142940.db2.gz KDQLCPXDCIRVAO-CQSZACIVSA-N 2 1 276.424 3.163 20 0 CGADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccnc1 ZINC000183187310 189349603 /nfs/dbraw/zinc/34/96/03/189349603.db2.gz CUXZBFIFSQLQPD-BFYDXBDKSA-N 2 1 287.451 3.385 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000449079788 239163915 /nfs/dbraw/zinc/16/39/15/239163915.db2.gz QAFRIFATCPCOHN-ILXRZTDVSA-N 2 1 264.413 3.063 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000449079788 239163919 /nfs/dbraw/zinc/16/39/19/239163919.db2.gz QAFRIFATCPCOHN-ILXRZTDVSA-N 2 1 264.413 3.063 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000449089244 239171902 /nfs/dbraw/zinc/17/19/02/239171902.db2.gz JLQZJOXKGSGHOO-CSMYWGQOSA-N 2 1 294.389 3.285 20 0 CGADMP CCc1cc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)nc(C)[nH+]1 ZINC000302085757 201337978 /nfs/dbraw/zinc/33/79/78/201337978.db2.gz KOEQROZACPMZEX-HNNXBMFYSA-N 2 1 290.455 3.127 20 0 CGADMP CCc1cc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)nc(C)[nH+]1 ZINC000302085757 201337981 /nfs/dbraw/zinc/33/79/81/201337981.db2.gz KOEQROZACPMZEX-HNNXBMFYSA-N 2 1 290.455 3.127 20 0 CGADMP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450727194 240054776 /nfs/dbraw/zinc/05/47/76/240054776.db2.gz LZUGZSNPSUQEGU-TZMCWYRMSA-N 2 1 286.410 3.274 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000120716149 370793527 /nfs/dbraw/zinc/79/35/27/370793527.db2.gz KRNYIYDDDCSXNH-PVAVHDDUSA-N 2 1 272.436 3.179 20 0 CGADMP CSc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453601090 240969565 /nfs/dbraw/zinc/96/95/65/240969565.db2.gz UKAAFMRIGRJVFQ-UHFFFAOYSA-N 2 1 284.494 3.434 20 0 CGADMP CCc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453607067 240970961 /nfs/dbraw/zinc/97/09/61/240970961.db2.gz XFCCHJODBDJTIU-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP C[N@@H+](CCCC1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000121126547 370831991 /nfs/dbraw/zinc/83/19/91/370831991.db2.gz JBGMXPYHBHRFGF-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000121126547 370831996 /nfs/dbraw/zinc/83/19/96/370831996.db2.gz JBGMXPYHBHRFGF-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000121126547 370832001 /nfs/dbraw/zinc/83/20/01/370832001.db2.gz JBGMXPYHBHRFGF-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459416212 242099828 /nfs/dbraw/zinc/09/98/28/242099828.db2.gz SPGACLMIVUSMIE-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000459723018 242192402 /nfs/dbraw/zinc/19/24/02/242192402.db2.gz CITONZILTDSPIX-ZDUSSCGKSA-N 2 1 293.480 3.232 20 0 CGADMP C[C@@H](CCc1ccsc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777227 242227881 /nfs/dbraw/zinc/22/78/81/242227881.db2.gz KIQMTZSXJZRNLZ-GJZGRUSLSA-N 2 1 280.481 3.391 20 0 CGADMP C[C@@H](CCc1ccsc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459777231 242228053 /nfs/dbraw/zinc/22/80/53/242228053.db2.gz KIQMTZSXJZRNLZ-LSDHHAIUSA-N 2 1 280.481 3.391 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000459779647 242228420 /nfs/dbraw/zinc/22/84/20/242228420.db2.gz LMMKTSSSRMPONW-ZLPCBKJTSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459792508 242237345 /nfs/dbraw/zinc/23/73/45/242237345.db2.gz SEMCEJJPSLRIHS-CVEARBPZSA-N 2 1 292.442 3.468 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000479562080 243111943 /nfs/dbraw/zinc/11/19/43/243111943.db2.gz WZUPFJAAMKSKGG-QZTJIDSGSA-N 2 1 272.436 3.356 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000479562080 243111951 /nfs/dbraw/zinc/11/19/51/243111951.db2.gz WZUPFJAAMKSKGG-QZTJIDSGSA-N 2 1 272.436 3.356 20 0 CGADMP CC[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[NH+]1CCCC1 ZINC000480791077 243165381 /nfs/dbraw/zinc/16/53/81/243165381.db2.gz PZJHCQHOWKQPLP-RTBURBONSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000480031562 243134935 /nfs/dbraw/zinc/13/49/35/243134935.db2.gz XTXITELNENLTGY-NVXWUHKLSA-N 2 1 292.492 3.158 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481330381 243186151 /nfs/dbraw/zinc/18/61/51/243186151.db2.gz CCYGPIRQENUEGR-RBUKOAKNSA-N 2 1 288.479 3.494 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000483735312 243295253 /nfs/dbraw/zinc/29/52/53/243295253.db2.gz QKDLJXHITJKJLL-IPELMVKDSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000483735312 243295255 /nfs/dbraw/zinc/29/52/55/243295255.db2.gz QKDLJXHITJKJLL-IPELMVKDSA-N 2 1 286.463 3.388 20 0 CGADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC1CCCCC1 ZINC000484818026 243321370 /nfs/dbraw/zinc/32/13/70/243321370.db2.gz GTBJENNRPAATPA-KSZLIROESA-N 2 1 294.483 3.094 20 0 CGADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000124779157 370927878 /nfs/dbraw/zinc/92/78/78/370927878.db2.gz KZVNYJBEPIUGHP-KRWDZBQOSA-N 2 1 260.425 3.381 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC[NH3+] ZINC000123355480 370911223 /nfs/dbraw/zinc/91/12/23/370911223.db2.gz WATGXVYIHWBICC-JTQLQIEISA-N 2 1 260.303 3.047 20 0 CGADMP Cc1ccccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000019912877 368781889 /nfs/dbraw/zinc/78/18/89/368781889.db2.gz XKKGAGSGZOUSJA-MRXNPFEDSA-N 2 1 260.425 3.349 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996571 369046482 /nfs/dbraw/zinc/04/64/82/369046482.db2.gz VJSSOMRHRWVQMD-LSDHHAIUSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996571 369046489 /nfs/dbraw/zinc/04/64/89/369046489.db2.gz VJSSOMRHRWVQMD-LSDHHAIUSA-N 2 1 298.352 3.422 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1OC ZINC000036995027 369046871 /nfs/dbraw/zinc/04/68/71/369046871.db2.gz JBVUUFCAJXHFCX-INIZCTEOSA-N 2 1 276.424 3.220 20 0 CGADMP c1ccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036996998 369048458 /nfs/dbraw/zinc/04/84/58/369048458.db2.gz SXXYVJRSMPFUPQ-ZGUYJTEBSA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036996998 369048462 /nfs/dbraw/zinc/04/84/62/369048462.db2.gz SXXYVJRSMPFUPQ-ZGUYJTEBSA-N 2 1 270.420 3.149 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000037140880 369067675 /nfs/dbraw/zinc/06/76/75/369067675.db2.gz QOHPOIQPRDYESE-SFHVURJKSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649220 369094274 /nfs/dbraw/zinc/09/42/74/369094274.db2.gz UWYVFQNLABPWIN-LSDHHAIUSA-N 2 1 288.435 3.220 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000037644261 369095607 /nfs/dbraw/zinc/09/56/07/369095607.db2.gz SZJNJDOJTGUOHN-LSDHHAIUSA-N 2 1 272.436 3.168 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649217 369096025 /nfs/dbraw/zinc/09/60/25/369096025.db2.gz UWYVFQNLABPWIN-CABCVRRESA-N 2 1 288.435 3.220 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075693 369171693 /nfs/dbraw/zinc/17/16/93/369171693.db2.gz URWPDKCRHUZWIF-YOEHRIQHSA-N 2 1 258.409 3.069 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000050872110 369444907 /nfs/dbraw/zinc/44/49/07/369444907.db2.gz YDTAPILUOYYXED-UHFFFAOYSA-N 2 1 268.351 3.058 20 0 CGADMP CC[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000394505352 261189792 /nfs/dbraw/zinc/18/97/92/261189792.db2.gz FTBBNJVBUABXMR-BFZKSOEOSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000061910061 369612206 /nfs/dbraw/zinc/61/22/06/369612206.db2.gz DQKOMGOZEFGIEE-XLMAVXFVSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000062077711 369618200 /nfs/dbraw/zinc/61/82/00/369618200.db2.gz APGFBAPQALUPTA-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC000072858096 369840306 /nfs/dbraw/zinc/84/03/06/369840306.db2.gz UZFYLCIANDFLGL-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000072858096 369840311 /nfs/dbraw/zinc/84/03/11/369840311.db2.gz UZFYLCIANDFLGL-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000072858096 369840316 /nfs/dbraw/zinc/84/03/16/369840316.db2.gz UZFYLCIANDFLGL-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070170892 369786369 /nfs/dbraw/zinc/78/63/69/369786369.db2.gz LBNGNMXYSJHWEY-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169362 369786382 /nfs/dbraw/zinc/78/63/82/369786382.db2.gz OPLMIYIEJRSMGU-NWDGAFQWSA-N 2 1 268.351 3.087 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000076002070 369925133 /nfs/dbraw/zinc/92/51/33/369925133.db2.gz BPHKUIMRYWGDHH-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C12CCCC2 ZINC000085681387 370019073 /nfs/dbraw/zinc/01/90/73/370019073.db2.gz PHGJVBCZWCTJPV-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C12CCCC2 ZINC000085681387 370019076 /nfs/dbraw/zinc/01/90/76/370019076.db2.gz PHGJVBCZWCTJPV-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2csc3ccccc23)CC[N@H+]1C ZINC000090721148 370067015 /nfs/dbraw/zinc/06/70/15/370067015.db2.gz QFRBMBZTQITXHO-GXTWGEPZSA-N 2 1 274.433 3.474 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000093644076 370151249 /nfs/dbraw/zinc/15/12/49/370151249.db2.gz PYYGUBAVYYDNIW-AAEUAGOBSA-N 2 1 284.806 3.394 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000093644076 370151250 /nfs/dbraw/zinc/15/12/50/370151250.db2.gz PYYGUBAVYYDNIW-AAEUAGOBSA-N 2 1 284.806 3.394 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC000093644076 370151252 /nfs/dbraw/zinc/15/12/52/370151252.db2.gz PYYGUBAVYYDNIW-AAEUAGOBSA-N 2 1 284.806 3.394 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH+]1C ZINC000093644076 370151253 /nfs/dbraw/zinc/15/12/53/370151253.db2.gz PYYGUBAVYYDNIW-AAEUAGOBSA-N 2 1 284.806 3.394 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000093645024 370153990 /nfs/dbraw/zinc/15/39/90/370153990.db2.gz KDPIPAHSPSISRL-DZGCQCFKSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3[nH]ccc32)CC[N@H+]1C ZINC000093645024 370153992 /nfs/dbraw/zinc/15/39/92/370153992.db2.gz KDPIPAHSPSISRL-DZGCQCFKSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3[nH]ccc32)CC[NH+]1C ZINC000093645024 370153996 /nfs/dbraw/zinc/15/39/96/370153996.db2.gz KDPIPAHSPSISRL-DZGCQCFKSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3[nH]ccc32)CC[NH+]1C ZINC000093645024 370154000 /nfs/dbraw/zinc/15/40/00/370154000.db2.gz KDPIPAHSPSISRL-DZGCQCFKSA-N 2 1 271.408 3.082 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105371 245108688 /nfs/dbraw/zinc/10/86/88/245108688.db2.gz QYCDXNHFWWAXMS-KBPBESRZSA-N 2 1 296.405 3.217 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000129981493 371008855 /nfs/dbraw/zinc/00/88/55/371008855.db2.gz XFXHDXFCYMSTCZ-QGZVFWFLSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000135147643 371395960 /nfs/dbraw/zinc/39/59/60/371395960.db2.gz SWGKEDOBIBGTHC-APWZRJJASA-N 2 1 286.463 3.472 20 0 CGADMP Fc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134862835 371370696 /nfs/dbraw/zinc/37/06/96/371370696.db2.gz LMYWEFWGFFHLIC-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134862835 371370698 /nfs/dbraw/zinc/37/06/98/371370698.db2.gz LMYWEFWGFFHLIC-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134862835 371370703 /nfs/dbraw/zinc/37/07/03/371370703.db2.gz LMYWEFWGFFHLIC-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134862835 371370706 /nfs/dbraw/zinc/37/07/06/371370706.db2.gz LMYWEFWGFFHLIC-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134885441 371372216 /nfs/dbraw/zinc/37/22/16/371372216.db2.gz BWHBJRRJHXZJOW-MJGOQNOKSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134885441 371372219 /nfs/dbraw/zinc/37/22/19/371372219.db2.gz BWHBJRRJHXZJOW-MJGOQNOKSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134885441 371372224 /nfs/dbraw/zinc/37/22/24/371372224.db2.gz BWHBJRRJHXZJOW-MJGOQNOKSA-N 2 1 284.447 3.444 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344029879 217018262 /nfs/dbraw/zinc/01/82/62/217018262.db2.gz CPOCRGWIMUXUPN-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000151242497 371585516 /nfs/dbraw/zinc/58/55/16/371585516.db2.gz KBKLLXBLMCTSNP-UHFFFAOYSA-N 2 1 290.426 3.365 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152156552 371679660 /nfs/dbraw/zinc/67/96/60/371679660.db2.gz QAECSVHOCCQCBG-YQQAZPJKSA-N 2 1 260.425 3.285 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152156552 371679669 /nfs/dbraw/zinc/67/96/69/371679669.db2.gz QAECSVHOCCQCBG-YQQAZPJKSA-N 2 1 260.425 3.285 20 0 CGADMP COC1([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000421860994 371683989 /nfs/dbraw/zinc/68/39/89/371683989.db2.gz UVSLTIITHBPNID-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000289150835 371750677 /nfs/dbraw/zinc/75/06/77/371750677.db2.gz GHEBPRFUTOBOMA-LBTNJELSSA-N 2 1 270.420 3.309 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422766068 371792012 /nfs/dbraw/zinc/79/20/12/371792012.db2.gz RKUNWXVTRXIJNR-KBPBESRZSA-N 2 1 297.240 3.199 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1nccc2ccccc21 ZINC000289570488 371762977 /nfs/dbraw/zinc/76/29/77/371762977.db2.gz DGODOOOSDMAZGS-UONOGXRCSA-N 2 1 271.408 3.226 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422710349 371764229 /nfs/dbraw/zinc/76/42/29/371764229.db2.gz LSTVYPDDXNESIA-XKQJLSEDSA-N 2 1 258.409 3.176 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422741315 371777066 /nfs/dbraw/zinc/77/70/66/371777066.db2.gz PLTDFRHYYPBPQY-RCCFBDPRSA-N 2 1 282.387 3.109 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422772414 371796759 /nfs/dbraw/zinc/79/67/59/371796759.db2.gz YIMVZCZFVDEBDK-KGLIPLIRSA-N 2 1 286.341 3.455 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422775516 371798909 /nfs/dbraw/zinc/79/89/09/371798909.db2.gz BOYXPFKDDFORJH-KGLIPLIRSA-N 2 1 269.392 3.257 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000422798436 371815115 /nfs/dbraw/zinc/81/51/15/371815115.db2.gz RBYABKQZUCEGOA-HSMVNMDESA-N 2 1 282.378 3.189 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422875182 371848259 /nfs/dbraw/zinc/84/82/59/371848259.db2.gz CDXQPSWEBLDXSR-KBPBESRZSA-N 2 1 270.779 3.229 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422895574 371859180 /nfs/dbraw/zinc/85/91/80/371859180.db2.gz GEQNCPFJZCJHTA-DLBZAZTESA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3sccc3c2)CC[N@H+]1C ZINC000289947471 371859666 /nfs/dbraw/zinc/85/96/66/371859666.db2.gz WFOLLLABHHVTIQ-DOMZBBRYSA-N 2 1 274.433 3.474 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000422913385 371866119 /nfs/dbraw/zinc/86/61/19/371866119.db2.gz PWHNPGQVTKAAGN-SJORKVTESA-N 2 1 288.435 3.368 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000422925519 371873243 /nfs/dbraw/zinc/87/32/43/371873243.db2.gz AVWVWASBVBILRZ-WDEREUQCSA-N 2 1 258.818 3.151 20 0 CGADMP COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(F)c1 ZINC000422927302 371875444 /nfs/dbraw/zinc/87/54/44/371875444.db2.gz GAUKWFIKKPNSSH-HIFRSBDPSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422932232 371877753 /nfs/dbraw/zinc/87/77/53/371877753.db2.gz FEUWCSKZSBFGKE-UGSOOPFHSA-N 2 1 284.378 3.113 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@H]1OC ZINC000422934415 371879548 /nfs/dbraw/zinc/87/95/48/371879548.db2.gz FSUORNIUQXQCQG-YLFCFFPRSA-N 2 1 288.435 3.315 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422940396 371880923 /nfs/dbraw/zinc/88/09/23/371880923.db2.gz STBVBHKBXSUYDN-IUODEOHRSA-N 2 1 274.433 3.031 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C/C=C\c1ccccc1 ZINC000422975258 371896406 /nfs/dbraw/zinc/89/64/06/371896406.db2.gz GILSNOZKOPOQIY-FPEQSZAPSA-N 2 1 280.415 3.248 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1coc2ccccc12 ZINC000422979791 371898950 /nfs/dbraw/zinc/89/89/50/371898950.db2.gz KGIBSUFRMGFJRF-RDTXWAMCSA-N 2 1 294.398 3.481 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)[C@H]1CCC[NH2+]1 ZINC000423032722 371927096 /nfs/dbraw/zinc/92/70/96/371927096.db2.gz YNDVDIDENVLISW-IAQYHMDHSA-N 2 1 296.817 3.241 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423096703 371961057 /nfs/dbraw/zinc/96/10/57/371961057.db2.gz IDGSVOXYUYTGIM-FQXVJMBOSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423104256 371967707 /nfs/dbraw/zinc/96/77/07/371967707.db2.gz YDAVRYBDNZVUJX-UOJCXKCYSA-N 2 1 276.399 3.049 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2sccc2Cl)C1 ZINC000290364864 371973263 /nfs/dbraw/zinc/97/32/63/371973263.db2.gz HDDFOXNELMYVJA-WCQYABFASA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2sccc2Cl)C1 ZINC000290364864 371973265 /nfs/dbraw/zinc/97/32/65/371973265.db2.gz HDDFOXNELMYVJA-WCQYABFASA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2sccc2Cl)C1 ZINC000290364864 371973267 /nfs/dbraw/zinc/97/32/67/371973267.db2.gz HDDFOXNELMYVJA-WCQYABFASA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2sccc2Cl)C1 ZINC000290364864 371973270 /nfs/dbraw/zinc/97/32/70/371973270.db2.gz HDDFOXNELMYVJA-WCQYABFASA-N 2 1 284.856 3.318 20 0 CGADMP FC(F)(F)C1CC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423121758 371976380 /nfs/dbraw/zinc/97/63/80/371976380.db2.gz IVKROSNQGCYVHQ-SHWKFHJASA-N 2 1 298.352 3.410 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1(CC)CC ZINC000344134239 217065681 /nfs/dbraw/zinc/06/56/81/217065681.db2.gz RRIWGJCSSBWLKZ-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1(CC)CC ZINC000344134239 217065683 /nfs/dbraw/zinc/06/56/83/217065683.db2.gz RRIWGJCSSBWLKZ-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CCCC[NH2+]1 ZINC000423129095 371980870 /nfs/dbraw/zinc/98/08/70/371980870.db2.gz WTNZCQHDBAOFAM-DDBAPUKQSA-N 2 1 288.435 3.027 20 0 CGADMP COc1ccc([C@@H](C)C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000290411522 371984516 /nfs/dbraw/zinc/98/45/16/371984516.db2.gz KBVWFBVBHOIMSP-HNNXBMFYSA-N 2 1 287.407 3.017 20 0 CGADMP COc1cc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)ccc1Cl ZINC000423139614 371987191 /nfs/dbraw/zinc/98/71/91/371987191.db2.gz VWPOZFPYRDCXDC-WFASDCNBSA-N 2 1 296.842 3.011 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc21)c1c[nH+]ccc1N ZINC000423143637 371988881 /nfs/dbraw/zinc/98/88/81/371988881.db2.gz DNKRXHOVERTYCJ-HIFRSBDPSA-N 2 1 281.403 3.265 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H](C)c3c[nH+]ccc3N)CC2)c(C)c1 ZINC000423148133 371992793 /nfs/dbraw/zinc/99/27/93/371992793.db2.gz ULYHMTROKJTXKA-HNNXBMFYSA-N 2 1 295.430 3.493 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000423149948 371993049 /nfs/dbraw/zinc/99/30/49/371993049.db2.gz YHIOLTOVWRIYTH-WFGGJUAMSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423163941 371998188 /nfs/dbraw/zinc/99/81/88/371998188.db2.gz RVGUPUVWRMACKP-WFASDCNBSA-N 2 1 278.827 3.145 20 0 CGADMP COCCCC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423090637 371956137 /nfs/dbraw/zinc/95/61/37/371956137.db2.gz XYJUFRJNLCLWLQ-CGTJXYLNSA-N 2 1 290.451 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc21 ZINC000423189917 372017266 /nfs/dbraw/zinc/01/72/66/372017266.db2.gz QGNDKCIMGJRIIQ-DNVCBOLYSA-N 2 1 295.430 3.399 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000423201492 372024670 /nfs/dbraw/zinc/02/46/70/372024670.db2.gz OYXHUERWCKYNLK-OAHLLOKOSA-N 2 1 250.386 3.018 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423205661 372028529 /nfs/dbraw/zinc/02/85/29/372028529.db2.gz FKQRXADHLUIMJG-NHYWBVRUSA-N 2 1 268.351 3.005 20 0 CGADMP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423215456 372036011 /nfs/dbraw/zinc/03/60/11/372036011.db2.gz NYUJKGZBBQETQO-NUEKZKHPSA-N 2 1 278.827 3.003 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000157894299 372041980 /nfs/dbraw/zinc/04/19/80/372041980.db2.gz LQFVHNARJFCPJW-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423260689 372043534 /nfs/dbraw/zinc/04/35/34/372043534.db2.gz ICXNIUKVVGUDDL-YPMHNXCESA-N 2 1 282.453 3.315 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC000423285813 372048535 /nfs/dbraw/zinc/04/85/35/372048535.db2.gz YTTURXIZVNWZLA-KBPBESRZSA-N 2 1 285.218 3.308 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCC1 ZINC000423323467 372051436 /nfs/dbraw/zinc/05/14/36/372051436.db2.gz JMAOIUXGHPKSKO-GFCCVEGCSA-N 2 1 282.840 3.348 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423372397 372056565 /nfs/dbraw/zinc/05/65/65/372056565.db2.gz GFORBJCQVBKQOB-BMFZPTHFSA-N 2 1 260.425 3.156 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158202707 372058800 /nfs/dbraw/zinc/05/88/00/372058800.db2.gz MPURJFPZEBPXQW-PMPSAXMXSA-N 2 1 290.451 3.119 20 0 CGADMP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423174880 372004131 /nfs/dbraw/zinc/00/41/31/372004131.db2.gz CVHORYRUXNIUAD-YLFCFFPRSA-N 2 1 282.387 3.218 20 0 CGADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181415 372010645 /nfs/dbraw/zinc/01/06/45/372010645.db2.gz CQKIRBKEQSVMFX-MSOLQXFVSA-N 2 1 289.467 3.366 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCSCc1ccccc1 ZINC000290542270 372012561 /nfs/dbraw/zinc/01/25/61/372012561.db2.gz RHKXCVNVQJVODD-NVXWUHKLSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCSCc1ccccc1 ZINC000290542270 372012566 /nfs/dbraw/zinc/01/25/66/372012566.db2.gz RHKXCVNVQJVODD-NVXWUHKLSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCSCc1ccccc1 ZINC000290542270 372012570 /nfs/dbraw/zinc/01/25/70/372012570.db2.gz RHKXCVNVQJVODD-NVXWUHKLSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCSCc1ccccc1 ZINC000290542270 372012574 /nfs/dbraw/zinc/01/25/74/372012574.db2.gz RHKXCVNVQJVODD-NVXWUHKLSA-N 2 1 292.492 3.192 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423185551 372012782 /nfs/dbraw/zinc/01/27/82/372012782.db2.gz JOGYVMPEHMJMGA-IBGZPJMESA-N 2 1 295.430 3.147 20 0 CGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116951 372108588 /nfs/dbraw/zinc/10/85/88/372108588.db2.gz DOTFHGKDWRWHOM-MOPGFXCFSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116951 372108595 /nfs/dbraw/zinc/10/85/95/372108595.db2.gz DOTFHGKDWRWHOM-MOPGFXCFSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116951 372108601 /nfs/dbraw/zinc/10/86/01/372108601.db2.gz DOTFHGKDWRWHOM-MOPGFXCFSA-N 2 1 284.447 3.383 20 0 CGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423410012 372062519 /nfs/dbraw/zinc/06/25/19/372062519.db2.gz ZMIDLXRPAYWGGT-CORIIIEPSA-N 2 1 272.392 3.390 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000159296918 372129159 /nfs/dbraw/zinc/12/91/59/372129159.db2.gz YULNLAFJWYYBDB-GFCCVEGCSA-N 2 1 278.465 3.372 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000292952273 372259974 /nfs/dbraw/zinc/25/99/74/372259974.db2.gz KRRKMFYVSDGZJB-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292957788 372261560 /nfs/dbraw/zinc/26/15/60/372261560.db2.gz LDUWYNDCOIJKDN-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292957788 372261562 /nfs/dbraw/zinc/26/15/62/372261562.db2.gz LDUWYNDCOIJKDN-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292957788 372261566 /nfs/dbraw/zinc/26/15/66/372261566.db2.gz LDUWYNDCOIJKDN-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292957788 372261568 /nfs/dbraw/zinc/26/15/68/372261568.db2.gz LDUWYNDCOIJKDN-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292957785 372261844 /nfs/dbraw/zinc/26/18/44/372261844.db2.gz LDUWYNDCOIJKDN-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292957785 372261848 /nfs/dbraw/zinc/26/18/48/372261848.db2.gz LDUWYNDCOIJKDN-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292957785 372261853 /nfs/dbraw/zinc/26/18/53/372261853.db2.gz LDUWYNDCOIJKDN-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292957785 372261857 /nfs/dbraw/zinc/26/18/57/372261857.db2.gz LDUWYNDCOIJKDN-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428875798 372277876 /nfs/dbraw/zinc/27/78/76/372277876.db2.gz HJGQXYDKYICZSH-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428875798 372277880 /nfs/dbraw/zinc/27/78/80/372277880.db2.gz HJGQXYDKYICZSH-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@H]1CCNC(C)(C)c1ccccc1F ZINC000429253885 372329965 /nfs/dbraw/zinc/32/99/65/372329965.db2.gz PEXPPYUODCOSKT-ZDUSSCGKSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1ccccc1F ZINC000429253885 372329967 /nfs/dbraw/zinc/32/99/67/372329967.db2.gz PEXPPYUODCOSKT-ZDUSSCGKSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1ccccc1F ZINC000429253885 372329969 /nfs/dbraw/zinc/32/99/69/372329969.db2.gz PEXPPYUODCOSKT-ZDUSSCGKSA-N 2 1 264.388 3.135 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000161527095 372333143 /nfs/dbraw/zinc/33/31/43/372333143.db2.gz HSAWAXNZUOETHA-OAHLLOKOSA-N 2 1 295.430 3.493 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)s1)C[NH+](C)C ZINC000293765494 372475054 /nfs/dbraw/zinc/47/50/54/372475054.db2.gz SINMFWQMZJHRQS-NXEZZACHSA-N 2 1 260.834 3.250 20 0 CGADMP Cc1sccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000293772455 372477507 /nfs/dbraw/zinc/47/75/07/372477507.db2.gz BGTVMPJBORWVJU-MRXNPFEDSA-N 2 1 278.465 3.220 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000293778902 372479619 /nfs/dbraw/zinc/47/96/19/372479619.db2.gz SSXCQMKPBNBIBT-MHORFTMASA-N 2 1 270.420 3.007 20 0 CGADMP COc1ccc2c(c1)C[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000162862499 372429387 /nfs/dbraw/zinc/42/93/87/372429387.db2.gz YYTPOBCXAZEPCT-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP COc1ccc2c(c1)C[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000162862499 372429396 /nfs/dbraw/zinc/42/93/96/372429396.db2.gz YYTPOBCXAZEPCT-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000163195052 372453381 /nfs/dbraw/zinc/45/33/81/372453381.db2.gz ZPYWBCFGIIIWJR-HIFRSBDPSA-N 2 1 260.425 3.153 20 0 CGADMP Fc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Cl ZINC000163646804 372484691 /nfs/dbraw/zinc/48/46/91/372484691.db2.gz KHJJUXONOSDRKY-UHFFFAOYSA-N 2 1 284.806 3.445 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1F ZINC000168755060 372619082 /nfs/dbraw/zinc/61/90/82/372619082.db2.gz OKGBQTQRQZIJMH-DYVFJYSZSA-N 2 1 276.399 3.351 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC000294236486 372622662 /nfs/dbraw/zinc/62/26/62/372622662.db2.gz OSMJLXRVTHFNRU-OLZOCXBDSA-N 2 1 252.427 3.049 20 0 CGADMP CCSc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435447619 372765041 /nfs/dbraw/zinc/76/50/41/372765041.db2.gz QGVAZZQZKUBQKH-OAHLLOKOSA-N 2 1 278.465 3.373 20 0 CGADMP CC[N@H+](Cc1cnc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435378154 372753509 /nfs/dbraw/zinc/75/35/09/372753509.db2.gz CHNRKVYSVAMCRZ-CYBMUJFWSA-N 2 1 295.496 3.405 20 0 CGADMP CC[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435378154 372753511 /nfs/dbraw/zinc/75/35/11/372753511.db2.gz CHNRKVYSVAMCRZ-CYBMUJFWSA-N 2 1 295.496 3.405 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435389504 372757926 /nfs/dbraw/zinc/75/79/26/372757926.db2.gz KWGGRGIILVOWGH-HNNXBMFYSA-N 2 1 264.388 3.098 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000438123116 372893863 /nfs/dbraw/zinc/89/38/63/372893863.db2.gz CIYBJPABXQKXDV-KANFNMMFSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)c(F)c(F)c1 ZINC000295802974 372916164 /nfs/dbraw/zinc/91/61/64/372916164.db2.gz AKAXURGXIUUHCW-NSNUZPRRSA-N 2 1 298.352 3.380 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)c(F)c(F)c1 ZINC000295802974 372916166 /nfs/dbraw/zinc/91/61/66/372916166.db2.gz AKAXURGXIUUHCW-NSNUZPRRSA-N 2 1 298.352 3.380 20 0 CGADMP Cc1ccsc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353500178 220119223 /nfs/dbraw/zinc/11/92/23/220119223.db2.gz WTVQLNBLNHFJGW-BFHYXJOUSA-N 2 1 264.438 3.019 20 0 CGADMP C[N@@H+](CCC1CCCC1)CC[C@@H]1CCCC[NH+]1C ZINC000441384694 373003126 /nfs/dbraw/zinc/00/31/26/373003126.db2.gz UZDANQCKFFTBLU-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CCC1CCCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441384694 373003133 /nfs/dbraw/zinc/00/31/33/373003133.db2.gz UZDANQCKFFTBLU-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CCC1CCCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000441384694 373003137 /nfs/dbraw/zinc/00/31/37/373003137.db2.gz UZDANQCKFFTBLU-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296052807 373006242 /nfs/dbraw/zinc/00/62/42/373006242.db2.gz VHSZCNXBUFSJJV-VONXNBHVSA-N 2 1 270.420 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000296363977 373104153 /nfs/dbraw/zinc/10/41/53/373104153.db2.gz RBSXIDFWNVBKIS-SJORKVTESA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000296363977 373104162 /nfs/dbraw/zinc/10/41/62/373104162.db2.gz RBSXIDFWNVBKIS-SJORKVTESA-N 2 1 288.435 3.014 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000344818252 217321753 /nfs/dbraw/zinc/32/17/53/217321753.db2.gz LCNXFKOHSOIPOW-GOEBONIOSA-N 2 1 295.496 3.442 20 0 CGADMP C[N@H+](CCc1c(F)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442753550 373072862 /nfs/dbraw/zinc/07/28/62/373072862.db2.gz GWANZQHJFYZRJD-FUNVUKJBSA-N 2 1 296.817 3.236 20 0 CGADMP C[N@@H+](CCc1c(F)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442753550 373072874 /nfs/dbraw/zinc/07/28/74/373072874.db2.gz GWANZQHJFYZRJD-FUNVUKJBSA-N 2 1 296.817 3.236 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(F)ncc1F ZINC000296520966 373164265 /nfs/dbraw/zinc/16/42/65/373164265.db2.gz SCIZPMQLAPDRKG-ZDUSSCGKSA-N 2 1 297.393 3.104 20 0 CGADMP CCc1ccccc1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000444651420 373222035 /nfs/dbraw/zinc/22/20/35/373222035.db2.gz GLDJSHSAZDZGTF-QGZVFWFLSA-N 2 1 286.463 3.209 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000174454022 373318885 /nfs/dbraw/zinc/31/88/85/373318885.db2.gz OVQNLGFVYQRGJB-UHFFFAOYSA-N 2 1 297.402 3.037 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000298431183 373325267 /nfs/dbraw/zinc/32/52/67/373325267.db2.gz MZXMEJPOLKEKAU-KRWDZBQOSA-N 2 1 269.392 3.094 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)C(C)(C)C)s1 ZINC000353615496 220194213 /nfs/dbraw/zinc/19/42/13/220194213.db2.gz WFCANUHUFYPDBW-UHFFFAOYSA-N 2 1 283.485 3.367 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000177944630 373726677 /nfs/dbraw/zinc/72/66/77/373726677.db2.gz SVLPJDIABDGMNU-KBXCAEBGSA-N 2 1 284.447 3.483 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000177931834 373727324 /nfs/dbraw/zinc/72/73/24/373727324.db2.gz QRJNESYVPXJQEM-GOEBONIOSA-N 2 1 294.414 3.057 20 0 CGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000178097417 373744118 /nfs/dbraw/zinc/74/41/18/373744118.db2.gz JXUFPWPCDYNUOD-LSDHHAIUSA-N 2 1 292.471 3.034 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCSc2ccc(F)cc2)CC[N@H+]1C ZINC000178168923 373751339 /nfs/dbraw/zinc/75/13/39/373751339.db2.gz RCAUDNDZARXIJG-HIFRSBDPSA-N 2 1 296.455 3.380 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000178751113 373808330 /nfs/dbraw/zinc/80/83/30/373808330.db2.gz SZPVAQPOXNZJPU-KBPBESRZSA-N 2 1 250.386 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000178751113 373808340 /nfs/dbraw/zinc/80/83/40/373808340.db2.gz SZPVAQPOXNZJPU-KBPBESRZSA-N 2 1 250.386 3.051 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000179639942 373898781 /nfs/dbraw/zinc/89/87/81/373898781.db2.gz RLDKSUZSJIZYDZ-XJKSGUPXSA-N 2 1 282.378 3.490 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000179639942 373898788 /nfs/dbraw/zinc/89/87/88/373898788.db2.gz RLDKSUZSJIZYDZ-XJKSGUPXSA-N 2 1 282.378 3.490 20 0 CGADMP CCC[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449736514 373862729 /nfs/dbraw/zinc/86/27/29/373862729.db2.gz VFLGWUWPQYFSTP-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+](C)C ZINC000302704158 373933710 /nfs/dbraw/zinc/93/37/10/373933710.db2.gz WLYNBSDOQHTXGK-ZJIFWQFVSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCn1ccnc1 ZINC000181093167 374077794 /nfs/dbraw/zinc/07/77/94/374077794.db2.gz GXTNNGILCUDBOI-GFCCVEGCSA-N 2 1 279.334 3.244 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)CC[N@@H+]1C ZINC000181325073 374109527 /nfs/dbraw/zinc/10/95/27/374109527.db2.gz NLPPTFRIRYKGAN-XJKCOSOUSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)CC[N@H+]1C ZINC000181325073 374109530 /nfs/dbraw/zinc/10/95/30/374109530.db2.gz NLPPTFRIRYKGAN-XJKCOSOUSA-N 2 1 292.398 3.112 20 0 CGADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1Cl ZINC000450430586 374123652 /nfs/dbraw/zinc/12/36/52/374123652.db2.gz SVMVHCQVSXWUAV-CQSZACIVSA-N 2 1 296.842 3.122 20 0 CGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1Cl ZINC000450430586 374123661 /nfs/dbraw/zinc/12/36/61/374123661.db2.gz SVMVHCQVSXWUAV-CQSZACIVSA-N 2 1 296.842 3.122 20 0 CGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000450430586 374123666 /nfs/dbraw/zinc/12/36/66/374123666.db2.gz SVMVHCQVSXWUAV-CQSZACIVSA-N 2 1 296.842 3.122 20 0 CGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000450430586 374123670 /nfs/dbraw/zinc/12/36/70/374123670.db2.gz SVMVHCQVSXWUAV-CQSZACIVSA-N 2 1 296.842 3.122 20 0 CGADMP Cc1[nH+]ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000311062518 374231219 /nfs/dbraw/zinc/23/12/19/374231219.db2.gz SSSNTLGCTVORRJ-NEPJUHHUSA-N 2 1 265.788 3.082 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)CC[N@@H+]1C ZINC000310713922 374221811 /nfs/dbraw/zinc/22/18/11/374221811.db2.gz FCRSFEMOWBGZHG-WFASDCNBSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)CC[N@H+]1C ZINC000310713922 374221820 /nfs/dbraw/zinc/22/18/20/374221820.db2.gz FCRSFEMOWBGZHG-WFASDCNBSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314922756 374323683 /nfs/dbraw/zinc/32/36/83/374323683.db2.gz PQCAFFBYPIYOLG-HZPDHXFCSA-N 2 1 263.429 3.157 20 0 CGADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000453330406 374424576 /nfs/dbraw/zinc/42/45/76/374424576.db2.gz YTWVBYAKGLXGDJ-KFWWJZLASA-N 2 1 264.438 3.019 20 0 CGADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1C(C)C ZINC000453369597 374455416 /nfs/dbraw/zinc/45/54/16/374455416.db2.gz VDYWQZXSKWGUCG-OHRKKDJYSA-N 2 1 290.455 3.048 20 0 CGADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1C(C)C ZINC000453369597 374455423 /nfs/dbraw/zinc/45/54/23/374455423.db2.gz VDYWQZXSKWGUCG-OHRKKDJYSA-N 2 1 290.455 3.048 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C1CC1 ZINC000453402763 374472585 /nfs/dbraw/zinc/47/25/85/374472585.db2.gz NUPDWYVLYOYSEP-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C)c1ccoc1)[NH+]1CCCCC1 ZINC000184500064 374532144 /nfs/dbraw/zinc/53/21/44/374532144.db2.gz JSRDAIJLZRBKTE-KGLIPLIRSA-N 2 1 250.386 3.195 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000090406161 541959130 /nfs/dbraw/zinc/95/91/30/541959130.db2.gz FOQIIUCKYZWBCV-GFCCVEGCSA-N 2 1 281.469 3.367 20 0 CGADMP CC(C)CCOCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665582 374707454 /nfs/dbraw/zinc/70/74/54/374707454.db2.gz YCRANBHYMBVRJJ-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459792612 374821457 /nfs/dbraw/zinc/82/14/57/374821457.db2.gz STGSUYDFZLBDPP-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187723963 375080907 /nfs/dbraw/zinc/08/09/07/375080907.db2.gz VGVMTWMCQMWAMM-OAHLLOKOSA-N 2 1 275.440 3.418 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000335045984 375090161 /nfs/dbraw/zinc/09/01/61/375090161.db2.gz SQANUCSFDXDFBE-SFHVURJKSA-N 2 1 288.410 3.420 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000480788268 375160769 /nfs/dbraw/zinc/16/07/69/375160769.db2.gz QXUNUMULMCHEJW-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245145 296226340 /nfs/dbraw/zinc/22/63/40/296226340.db2.gz YHKUHYSRBMIRCS-UONOGXRCSA-N 2 1 260.425 3.326 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCC12CCCC2)C1CCCC1 ZINC000189114538 375327157 /nfs/dbraw/zinc/32/71/57/375327157.db2.gz HPBLDGGUQRVQJM-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCC12CCCC2)C1CCCC1 ZINC000189114538 375327161 /nfs/dbraw/zinc/32/71/61/375327161.db2.gz HPBLDGGUQRVQJM-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1[nH+]c2ccccc2c(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000488719491 375313506 /nfs/dbraw/zinc/31/35/06/375313506.db2.gz WNCPEYRNBWEYMR-LJQANCHMSA-N 2 1 295.430 3.384 20 0 CGADMP CCc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000189051614 375316695 /nfs/dbraw/zinc/31/66/95/375316695.db2.gz VEMDXUXUZSEWCP-INIZCTEOSA-N 2 1 274.452 3.413 20 0 CGADMP CC(C)OC1CC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000189567957 375413198 /nfs/dbraw/zinc/41/31/98/375413198.db2.gz IKABMNMGDYRSCD-MHAAMQRSSA-N 2 1 294.483 3.185 20 0 CGADMP CCc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000189733587 375441383 /nfs/dbraw/zinc/44/13/83/375441383.db2.gz UBGGRVFDPGWPOG-UHFFFAOYSA-N 2 1 271.408 3.276 20 0 CGADMP CCc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000189733587 375441386 /nfs/dbraw/zinc/44/13/86/375441386.db2.gz UBGGRVFDPGWPOG-UHFFFAOYSA-N 2 1 271.408 3.276 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000507357185 375698296 /nfs/dbraw/zinc/69/82/96/375698296.db2.gz IDGSFPQWEZKNNY-WMZOPIPTSA-N 2 1 296.499 3.386 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000507509501 375710674 /nfs/dbraw/zinc/71/06/74/375710674.db2.gz LDKPBLMPJJAURO-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000507509501 375710675 /nfs/dbraw/zinc/71/06/75/375710675.db2.gz LDKPBLMPJJAURO-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccccc2)CC[N@H+]1C ZINC000128729025 542053544 /nfs/dbraw/zinc/05/35/44/542053544.db2.gz GLHNGVBLAKNDKK-WBVHZDCISA-N 2 1 260.425 3.082 20 0 CGADMP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC000192938519 375807004 /nfs/dbraw/zinc/80/70/04/375807004.db2.gz LBKSXFBKDCOCCB-FBVQUNGASA-N 2 1 287.451 3.036 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)C1CCCCC1 ZINC000510739744 375787373 /nfs/dbraw/zinc/78/73/73/375787373.db2.gz YFTPEVJVALAILH-SJORKVTESA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)C1CCCCC1 ZINC000510739744 375787382 /nfs/dbraw/zinc/78/73/82/375787382.db2.gz YFTPEVJVALAILH-SJORKVTESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000519400573 375835150 /nfs/dbraw/zinc/83/51/50/375835150.db2.gz ISHNCDTYKFRTRS-RKDXNWHRSA-N 2 1 261.196 3.209 20 0 CGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130231213 542062442 /nfs/dbraw/zinc/06/24/42/542062442.db2.gz AJDCOGNSWJKENQ-INMHGKMJSA-N 2 1 288.460 3.191 20 0 CGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130231213 542062445 /nfs/dbraw/zinc/06/24/45/542062445.db2.gz AJDCOGNSWJKENQ-INMHGKMJSA-N 2 1 288.460 3.191 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000336809105 375960849 /nfs/dbraw/zinc/96/08/49/375960849.db2.gz TXJPSJMDNGQOTR-RYUDHWBXSA-N 2 1 278.362 3.134 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000336809105 375960851 /nfs/dbraw/zinc/96/08/51/375960851.db2.gz TXJPSJMDNGQOTR-RYUDHWBXSA-N 2 1 278.362 3.134 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000336809105 375960853 /nfs/dbraw/zinc/96/08/53/375960853.db2.gz TXJPSJMDNGQOTR-RYUDHWBXSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@H]1c2c(F)cccc2CCN1CC[C@H]1CCC[N@H+]1C ZINC000535050721 376016582 /nfs/dbraw/zinc/01/65/82/376016582.db2.gz NBGLKVJRLMFBBJ-DZGCQCFKSA-N 2 1 276.399 3.229 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC2CCOCC2)C[C@H]1C ZINC000337175979 376115865 /nfs/dbraw/zinc/11/58/65/376115865.db2.gz IZMZLWZPSUGDDV-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC2CCOCC2)C[C@H]1C ZINC000337175979 376115879 /nfs/dbraw/zinc/11/58/79/376115879.db2.gz IZMZLWZPSUGDDV-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC2CCOCC2)C[C@H]1C ZINC000337175979 376115886 /nfs/dbraw/zinc/11/58/86/376115886.db2.gz IZMZLWZPSUGDDV-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H](CC[NH2+][C@H](C)c1cccc(O)c1)[NH+]1CCCCC1 ZINC000194958026 376063961 /nfs/dbraw/zinc/06/39/61/376063961.db2.gz HHDNSYQRJWILEU-HUUCEWRRSA-N 2 1 276.424 3.307 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000195138377 376082150 /nfs/dbraw/zinc/08/21/50/376082150.db2.gz VVEZMFOHCBZMII-AEFFLSMTSA-N 2 1 295.430 3.254 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000195138406 376082824 /nfs/dbraw/zinc/08/28/24/376082824.db2.gz VVEZMFOHCBZMII-SJLPKXTDSA-N 2 1 295.430 3.254 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000215971477 376154866 /nfs/dbraw/zinc/15/48/66/376154866.db2.gz YJPLPKFIIHOMHZ-UONOGXRCSA-N 2 1 284.403 3.018 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C2(CC)CC)C1 ZINC000537296789 376160488 /nfs/dbraw/zinc/16/04/88/376160488.db2.gz ZZIQGQNJPLUODU-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000132341320 542075599 /nfs/dbraw/zinc/07/55/99/542075599.db2.gz INQXLMONOSCWMH-MAUKXSAKSA-N 2 1 274.452 3.111 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)[C@H](C)C1 ZINC000537984763 376216001 /nfs/dbraw/zinc/21/60/01/376216001.db2.gz IDWSQRDCALGNCY-BSWAZPDLSA-N 2 1 264.457 3.275 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000221916439 376223972 /nfs/dbraw/zinc/22/39/72/376223972.db2.gz QGXYUJPFOXRGGG-OAHLLOKOSA-N 2 1 278.440 3.385 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221916439 376223974 /nfs/dbraw/zinc/22/39/74/376223974.db2.gz QGXYUJPFOXRGGG-OAHLLOKOSA-N 2 1 278.440 3.385 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221916439 376223979 /nfs/dbraw/zinc/22/39/79/376223979.db2.gz QGXYUJPFOXRGGG-OAHLLOKOSA-N 2 1 278.440 3.385 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000538396805 376238697 /nfs/dbraw/zinc/23/86/97/376238697.db2.gz CDMVTKBNNFXUNZ-BRWVUGGUSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000538396805 376238700 /nfs/dbraw/zinc/23/87/00/376238700.db2.gz CDMVTKBNNFXUNZ-BRWVUGGUSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C(C)C)CC1)CC1CC1 ZINC000538951407 376281312 /nfs/dbraw/zinc/28/13/12/376281312.db2.gz WJJRLUFVNKEJPU-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnc3ccccc23)C1 ZINC000538724183 376261290 /nfs/dbraw/zinc/26/12/90/376261290.db2.gz WSKXELOXRTWWBE-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000538724183 376261296 /nfs/dbraw/zinc/26/12/96/376261296.db2.gz WSKXELOXRTWWBE-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000538724183 376261302 /nfs/dbraw/zinc/26/13/02/376261302.db2.gz WSKXELOXRTWWBE-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000538750744 376267327 /nfs/dbraw/zinc/26/73/27/376267327.db2.gz WGWXTOVYBQHYQS-QXAKKESOSA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000226331421 376353342 /nfs/dbraw/zinc/35/33/42/376353342.db2.gz RKIIHYZHTQIDAD-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP COc1cccc(Cl)c1CNCCC[N@@H+](C)C(C)C ZINC000227599877 376401472 /nfs/dbraw/zinc/40/14/72/376401472.db2.gz DCNWWBTVHHZWTO-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccccc2)C[C@H]1C ZINC000338547081 376421148 /nfs/dbraw/zinc/42/11/48/376421148.db2.gz QUUHFLAEXPTOJJ-BPQIPLTHSA-N 2 1 290.451 3.179 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccccc2)C[C@H]1C ZINC000338547081 376421156 /nfs/dbraw/zinc/42/11/56/376421156.db2.gz QUUHFLAEXPTOJJ-BPQIPLTHSA-N 2 1 290.451 3.179 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)c2ccccc2)C[C@H]1C ZINC000338547081 376421162 /nfs/dbraw/zinc/42/11/62/376421162.db2.gz QUUHFLAEXPTOJJ-BPQIPLTHSA-N 2 1 290.451 3.179 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)c2ccccc2)C[C@H]1C ZINC000338547081 376421167 /nfs/dbraw/zinc/42/11/67/376421167.db2.gz QUUHFLAEXPTOJJ-BPQIPLTHSA-N 2 1 290.451 3.179 20 0 CGADMP C[C@H](CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000226450529 376361602 /nfs/dbraw/zinc/36/16/02/376361602.db2.gz KFKBICDWYAVUGA-NVXWUHKLSA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cccs2)[C@@H](C)C1 ZINC000540161479 376362640 /nfs/dbraw/zinc/36/26/40/376362640.db2.gz WABHKJIUFHSJAN-ZFWWWQNUSA-N 2 1 266.454 3.001 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4(C5CC5)CC4)[C@H]3C2)cc1 ZINC000541882383 376490171 /nfs/dbraw/zinc/49/01/71/376490171.db2.gz JGZBCPKWBZPMOX-WDSOQIARSA-N 2 1 296.458 3.429 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cccc(F)c2F)C[C@@H]1C ZINC000543208566 376620373 /nfs/dbraw/zinc/62/03/73/376620373.db2.gz UDFRBYXUMFXKCR-ZFWWWQNUSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(F)c2F)C[C@@H]1C ZINC000543208566 376620379 /nfs/dbraw/zinc/62/03/79/376620379.db2.gz UDFRBYXUMFXKCR-ZFWWWQNUSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(F)c2F)C[C@@H]1C ZINC000543208566 376620386 /nfs/dbraw/zinc/62/03/86/376620386.db2.gz UDFRBYXUMFXKCR-ZFWWWQNUSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(F)c2F)C[C@@H]1C ZINC000543208566 376620396 /nfs/dbraw/zinc/62/03/96/376620396.db2.gz UDFRBYXUMFXKCR-ZFWWWQNUSA-N 2 1 296.405 3.312 20 0 CGADMP Cc1cccc([C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000543254347 376626998 /nfs/dbraw/zinc/62/69/98/376626998.db2.gz YBXASOYAEMFKAR-ROUUACIJSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000543254347 376627012 /nfs/dbraw/zinc/62/70/12/376627012.db2.gz YBXASOYAEMFKAR-ROUUACIJSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000543254347 376627022 /nfs/dbraw/zinc/62/70/22/376627022.db2.gz YBXASOYAEMFKAR-ROUUACIJSA-N 2 1 272.436 3.269 20 0 CGADMP CCN1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000543398612 376635567 /nfs/dbraw/zinc/63/55/67/376635567.db2.gz VICINWPAYQPBBV-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000543398612 376635573 /nfs/dbraw/zinc/63/55/73/376635573.db2.gz VICINWPAYQPBBV-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000543398612 376635577 /nfs/dbraw/zinc/63/55/77/376635577.db2.gz VICINWPAYQPBBV-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000235745952 376650157 /nfs/dbraw/zinc/65/01/57/376650157.db2.gz VKJBMFYBHKKMFX-GXTWGEPZSA-N 2 1 266.816 3.221 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000235976428 376655146 /nfs/dbraw/zinc/65/51/46/376655146.db2.gz KVVJGHHEBWEBCL-CVEARBPZSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000235976428 376655152 /nfs/dbraw/zinc/65/51/52/376655152.db2.gz KVVJGHHEBWEBCL-CVEARBPZSA-N 2 1 278.827 3.365 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433701 376755633 /nfs/dbraw/zinc/75/56/33/376755633.db2.gz WWJLULAWCUPQEI-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433701 376755644 /nfs/dbraw/zinc/75/56/44/376755644.db2.gz WWJLULAWCUPQEI-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433701 376755656 /nfs/dbraw/zinc/75/56/56/376755656.db2.gz WWJLULAWCUPQEI-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433701 376755663 /nfs/dbraw/zinc/75/56/63/376755663.db2.gz WWJLULAWCUPQEI-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP Cc1ncccc1CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000151281240 542101877 /nfs/dbraw/zinc/10/18/77/542101877.db2.gz KVDVBJCIRJYKPW-BEFAXECRSA-N 2 1 295.430 3.143 20 0 CGADMP Cc1ncccc1CN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000151281240 542101880 /nfs/dbraw/zinc/10/18/80/542101880.db2.gz KVDVBJCIRJYKPW-BEFAXECRSA-N 2 1 295.430 3.143 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000544895521 376769989 /nfs/dbraw/zinc/76/99/89/376769989.db2.gz YOFKXYRSSMNGSP-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000544895521 376769993 /nfs/dbraw/zinc/76/99/93/376769993.db2.gz YOFKXYRSSMNGSP-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000544895521 376769999 /nfs/dbraw/zinc/76/99/99/376769999.db2.gz YOFKXYRSSMNGSP-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)c2ccccc21 ZINC000157271226 542132959 /nfs/dbraw/zinc/13/29/59/542132959.db2.gz LBDMDGKXCJDUEP-KSZLIROESA-N 2 1 264.372 3.408 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426822 376812828 /nfs/dbraw/zinc/81/28/28/376812828.db2.gz LNWMEUINKOFWQO-YJBOKZPZSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426822 376812835 /nfs/dbraw/zinc/81/28/35/376812835.db2.gz LNWMEUINKOFWQO-YJBOKZPZSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426822 376812843 /nfs/dbraw/zinc/81/28/43/376812843.db2.gz LNWMEUINKOFWQO-YJBOKZPZSA-N 2 1 297.446 3.397 20 0 CGADMP C[N@H+](CC[NH2+]C[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000159078533 542146110 /nfs/dbraw/zinc/14/61/10/542146110.db2.gz JSSPANMHHZKCCP-OAHLLOKOSA-N 2 1 288.435 3.017 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000159078533 542146113 /nfs/dbraw/zinc/14/61/13/542146113.db2.gz JSSPANMHHZKCCP-OAHLLOKOSA-N 2 1 288.435 3.017 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683368 376879890 /nfs/dbraw/zinc/87/98/90/376879890.db2.gz AAJKEEOBGAXFPV-YJBOKZPZSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683368 376879898 /nfs/dbraw/zinc/87/98/98/376879898.db2.gz AAJKEEOBGAXFPV-YJBOKZPZSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683368 376879904 /nfs/dbraw/zinc/87/99/04/376879904.db2.gz AAJKEEOBGAXFPV-YJBOKZPZSA-N 2 1 274.452 3.466 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000556869946 376894291 /nfs/dbraw/zinc/89/42/91/376894291.db2.gz CBXZRHWEXPWIFL-OTWHNJEPSA-N 2 1 286.463 3.308 20 0 CGADMP CC[C@@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1CC ZINC000340145388 376928530 /nfs/dbraw/zinc/92/85/30/376928530.db2.gz IWKJCUKVKNCUJU-ILNYKDOHSA-N 2 1 250.430 3.291 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340177033 376935653 /nfs/dbraw/zinc/93/56/53/376935653.db2.gz UCSRRTDRWYNNNU-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340244763 376962136 /nfs/dbraw/zinc/96/21/36/376962136.db2.gz OBUXBLZTHUCESW-HOTGVXAUSA-N 2 1 278.465 3.165 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340244763 376962142 /nfs/dbraw/zinc/96/21/42/376962142.db2.gz OBUXBLZTHUCESW-HOTGVXAUSA-N 2 1 278.465 3.165 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000246102301 376967049 /nfs/dbraw/zinc/96/70/49/376967049.db2.gz JHYMLDKUOVQMHO-JJRVBVJISA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2(C)CC2)C1 ZINC000558961287 377056735 /nfs/dbraw/zinc/05/67/35/377056735.db2.gz FLFKBJCIHKAAFR-GASCZTMLSA-N 2 1 252.446 3.134 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246821830 377097738 /nfs/dbraw/zinc/09/77/38/377097738.db2.gz RJJPMMLKEPSRDP-DOTOQJQBSA-N 2 1 264.457 3.371 20 0 CGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246821830 377097750 /nfs/dbraw/zinc/09/77/50/377097750.db2.gz RJJPMMLKEPSRDP-DOTOQJQBSA-N 2 1 264.457 3.371 20 0 CGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246821830 377097762 /nfs/dbraw/zinc/09/77/62/377097762.db2.gz RJJPMMLKEPSRDP-DOTOQJQBSA-N 2 1 264.457 3.371 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC000247022025 377143652 /nfs/dbraw/zinc/14/36/52/377143652.db2.gz LUJYQVYJJYLQFG-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC000247022025 377143666 /nfs/dbraw/zinc/14/36/66/377143666.db2.gz LUJYQVYJJYLQFG-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CCOc1cc(C)ccc1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247053080 377149843 /nfs/dbraw/zinc/14/98/43/377149843.db2.gz MGEAGKCBIOIYJA-RDJZCZTQSA-N 2 1 290.451 3.214 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247053080 377149859 /nfs/dbraw/zinc/14/98/59/377149859.db2.gz MGEAGKCBIOIYJA-RDJZCZTQSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247075728 377154733 /nfs/dbraw/zinc/15/47/33/377154733.db2.gz QDVRGLWDNPPNKL-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247075728 377154742 /nfs/dbraw/zinc/15/47/42/377154742.db2.gz QDVRGLWDNPPNKL-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247075728 377154752 /nfs/dbraw/zinc/15/47/52/377154752.db2.gz QDVRGLWDNPPNKL-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247075728 377154760 /nfs/dbraw/zinc/15/47/60/377154760.db2.gz QDVRGLWDNPPNKL-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000560527863 377163863 /nfs/dbraw/zinc/16/38/63/377163863.db2.gz DHXROOPTSWTWNG-IZPLOLCNSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000560593910 377177453 /nfs/dbraw/zinc/17/74/53/377177453.db2.gz ADVMLEYFGHQHQX-MJGOQNOKSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000560593910 377177460 /nfs/dbraw/zinc/17/74/60/377177460.db2.gz ADVMLEYFGHQHQX-MJGOQNOKSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000560593910 377177467 /nfs/dbraw/zinc/17/74/67/377177467.db2.gz ADVMLEYFGHQHQX-MJGOQNOKSA-N 2 1 286.463 3.283 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000247243139 377182163 /nfs/dbraw/zinc/18/21/63/377182163.db2.gz ZCNQAOHVFBAZTP-FUHWJXTLSA-N 2 1 292.442 3.324 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247982149 377252977 /nfs/dbraw/zinc/25/29/77/377252977.db2.gz ILFZCCIHJRSJBV-NEWSRXKRSA-N 2 1 286.463 3.424 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000248062237 377264889 /nfs/dbraw/zinc/26/48/89/377264889.db2.gz LYNZTIKZFYZTSI-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000248062237 377264899 /nfs/dbraw/zinc/26/48/99/377264899.db2.gz LYNZTIKZFYZTSI-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000248062237 377264910 /nfs/dbraw/zinc/26/49/10/377264910.db2.gz LYNZTIKZFYZTSI-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248443399 377320849 /nfs/dbraw/zinc/32/08/49/377320849.db2.gz VUABJIJGTFIGID-USXIJHARSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248443399 377320857 /nfs/dbraw/zinc/32/08/57/377320857.db2.gz VUABJIJGTFIGID-USXIJHARSA-N 2 1 275.440 3.482 20 0 CGADMP CC[N@H+](C)Cc1cccc(CNc2cc(C)[nH+]c(C)n2)c1 ZINC000264933716 190146092 /nfs/dbraw/zinc/14/60/92/190146092.db2.gz QAFXDTZCPKLHNA-UHFFFAOYSA-N 2 1 284.407 3.157 20 0 CGADMP CC[N@@H+](C)Cc1cccc(CNc2cc(C)[nH+]c(C)n2)c1 ZINC000264933716 190146093 /nfs/dbraw/zinc/14/60/93/190146093.db2.gz QAFXDTZCPKLHNA-UHFFFAOYSA-N 2 1 284.407 3.157 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)cc1 ZINC000248956255 377434675 /nfs/dbraw/zinc/43/46/75/377434675.db2.gz AOBYTWYBLPGSLH-QWQRMKEZSA-N 2 1 299.418 3.399 20 0 CGADMP CCCNc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000249037127 377445925 /nfs/dbraw/zinc/44/59/25/377445925.db2.gz SZNFJSRWXXLLMB-ROUUACIJSA-N 2 1 287.451 3.225 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000341264132 377475677 /nfs/dbraw/zinc/47/56/77/377475677.db2.gz SSIXODPQRZSHMD-WMLDXEAASA-N 2 1 258.409 3.039 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000341264132 377475682 /nfs/dbraw/zinc/47/56/82/377475682.db2.gz SSIXODPQRZSHMD-WMLDXEAASA-N 2 1 258.409 3.039 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249583077 377515827 /nfs/dbraw/zinc/51/58/27/377515827.db2.gz NTAVXKNMAGJYKG-CVEARBPZSA-N 2 1 290.451 3.411 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249583077 377515834 /nfs/dbraw/zinc/51/58/34/377515834.db2.gz NTAVXKNMAGJYKG-CVEARBPZSA-N 2 1 290.451 3.411 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCCC1 ZINC000313402844 249090736 /nfs/dbraw/zinc/09/07/36/249090736.db2.gz WOURSTKKZLHZRX-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000469858120 249160159 /nfs/dbraw/zinc/16/01/59/249160159.db2.gz BFJWRIVUJPHFRW-HYVNUMGLSA-N 2 1 260.425 3.239 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470021237 249166523 /nfs/dbraw/zinc/16/65/23/249166523.db2.gz SOQAPZQPUANADW-WBVHZDCISA-N 2 1 260.425 3.112 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000516650830 249240184 /nfs/dbraw/zinc/24/01/84/249240184.db2.gz VAXBMQFJONVVSI-WMZOPIPTSA-N 2 1 274.452 3.358 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251330944 377580909 /nfs/dbraw/zinc/58/09/09/377580909.db2.gz OGNWEZLRTROZDT-YVSFHVDLSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000518360263 249279282 /nfs/dbraw/zinc/27/92/82/249279282.db2.gz ZZWVKCFRQMBXJN-AWEZNQCLSA-N 2 1 299.418 3.175 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)[C@@H](C)O)[NH2+][C@H](C)c1ccccc1 ZINC000573914265 377591958 /nfs/dbraw/zinc/59/19/58/377591958.db2.gz WQUMTFJMPRMMQF-BZUAXINKSA-N 2 1 292.467 3.255 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251518113 377586664 /nfs/dbraw/zinc/58/66/64/377586664.db2.gz KCSANHQQJADRSI-OUCADQQQSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OC(F)F)c1 ZINC000517438596 249265333 /nfs/dbraw/zinc/26/53/33/249265333.db2.gz GFLRQVCCFDTIJA-DOMZBBRYSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OC(F)F)c1 ZINC000517438596 249265336 /nfs/dbraw/zinc/26/53/36/249265336.db2.gz GFLRQVCCFDTIJA-DOMZBBRYSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000517438596 249265340 /nfs/dbraw/zinc/26/53/40/249265340.db2.gz GFLRQVCCFDTIJA-DOMZBBRYSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000517438596 249265342 /nfs/dbraw/zinc/26/53/42/249265342.db2.gz GFLRQVCCFDTIJA-DOMZBBRYSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000251773565 377597257 /nfs/dbraw/zinc/59/72/57/377597257.db2.gz KVEACMOBCXWVTB-BQRFXZSASA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000251773565 377597262 /nfs/dbraw/zinc/59/72/62/377597262.db2.gz KVEACMOBCXWVTB-BQRFXZSASA-N 2 1 264.457 3.416 20 0 CGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000180033672 542206708 /nfs/dbraw/zinc/20/67/08/542206708.db2.gz YFELXVVQGZFUCV-CYBMUJFWSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000180033672 542206709 /nfs/dbraw/zinc/20/67/09/542206709.db2.gz YFELXVVQGZFUCV-CYBMUJFWSA-N 2 1 278.444 3.023 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000251903490 377602951 /nfs/dbraw/zinc/60/29/51/377602951.db2.gz XAYPCJGPECWLAW-FXUDXRNXSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000251903490 377602958 /nfs/dbraw/zinc/60/29/58/377602958.db2.gz XAYPCJGPECWLAW-FXUDXRNXSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000574126634 377623235 /nfs/dbraw/zinc/62/32/35/377623235.db2.gz WQCZULBBLXCARA-CYBMUJFWSA-N 2 1 266.454 3.143 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000574126634 377623239 /nfs/dbraw/zinc/62/32/39/377623239.db2.gz WQCZULBBLXCARA-CYBMUJFWSA-N 2 1 266.454 3.143 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cncs1 ZINC000252714336 377655712 /nfs/dbraw/zinc/65/57/12/377655712.db2.gz RRQKDHCCTXBCAP-CHWSQXEVSA-N 2 1 267.442 3.058 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cncs1 ZINC000252714336 377655715 /nfs/dbraw/zinc/65/57/15/377655715.db2.gz RRQKDHCCTXBCAP-CHWSQXEVSA-N 2 1 267.442 3.058 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@H]2CCC[C@H]21 ZINC000574506588 377672666 /nfs/dbraw/zinc/67/26/66/377672666.db2.gz OGLBFCVGLGOFIE-HYVNUMGLSA-N 2 1 292.854 3.345 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@@H]2CCC[C@H]21 ZINC000574506587 377672773 /nfs/dbraw/zinc/67/27/73/377672773.db2.gz OGLBFCVGLGOFIE-BHYGNILZSA-N 2 1 292.854 3.345 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000253296190 377683380 /nfs/dbraw/zinc/68/33/80/377683380.db2.gz OAWWJJYJQKWVGH-QLFBSQMISA-N 2 1 270.486 3.125 20 0 CGADMP Cc1ncncc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000574822562 377714929 /nfs/dbraw/zinc/71/49/29/377714929.db2.gz KTLCNBQRGIXOOO-CABCVRRESA-N 2 1 290.455 3.090 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000574997923 377737427 /nfs/dbraw/zinc/73/74/27/377737427.db2.gz BZUNAFGSHSYLJR-NXOAAHMSSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261549557 377816276 /nfs/dbraw/zinc/81/62/76/377816276.db2.gz KPWKJQATCHSIFK-RISCZKNCSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261549557 377816283 /nfs/dbraw/zinc/81/62/83/377816283.db2.gz KPWKJQATCHSIFK-RISCZKNCSA-N 2 1 252.789 3.072 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261569832 377817515 /nfs/dbraw/zinc/81/75/15/377817515.db2.gz KBLJPDMNLCBTEL-CABCVRRESA-N 2 1 266.816 3.462 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261584782 377822768 /nfs/dbraw/zinc/82/27/68/377822768.db2.gz IAIDDWVQBSIKNA-TZMCWYRMSA-N 2 1 278.465 3.229 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261584782 377822775 /nfs/dbraw/zinc/82/27/75/377822775.db2.gz IAIDDWVQBSIKNA-TZMCWYRMSA-N 2 1 278.465 3.229 20 0 CGADMP CCC1CCC([N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000342859897 377840990 /nfs/dbraw/zinc/84/09/90/377840990.db2.gz KZMOSTWVJWKLKU-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CCC1CCC([N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000342859897 377840994 /nfs/dbraw/zinc/84/09/94/377840994.db2.gz KZMOSTWVJWKLKU-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261683937 377838615 /nfs/dbraw/zinc/83/86/15/377838615.db2.gz AMJULNQWFKARHR-MRXNPFEDSA-N 2 1 264.388 3.036 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261683937 377838627 /nfs/dbraw/zinc/83/86/27/377838627.db2.gz AMJULNQWFKARHR-MRXNPFEDSA-N 2 1 264.388 3.036 20 0 CGADMP N[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1c1ccccc1 ZINC000261922174 377867483 /nfs/dbraw/zinc/86/74/83/377867483.db2.gz ZNPLFCNNDCTRMB-ZWKOTPCHSA-N 2 1 292.382 3.360 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261918470 377867500 /nfs/dbraw/zinc/86/75/00/377867500.db2.gz KDWVHLLJLKLIAS-FVQBIDKESA-N 2 1 290.476 3.348 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])on2)cc1 ZINC000261961201 377872878 /nfs/dbraw/zinc/87/28/78/377872878.db2.gz OSRPKQUFFYAZOY-MRXNPFEDSA-N 2 1 299.418 3.353 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])on2)cc1 ZINC000261961201 377872885 /nfs/dbraw/zinc/87/28/85/377872885.db2.gz OSRPKQUFFYAZOY-MRXNPFEDSA-N 2 1 299.418 3.353 20 0 CGADMP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000261976404 377873875 /nfs/dbraw/zinc/87/38/75/377873875.db2.gz ITDJPHTUPZPCRA-OALUTQOASA-N 2 1 286.463 3.256 20 0 CGADMP C[C@@]1(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]C1 ZINC000262007824 377877850 /nfs/dbraw/zinc/87/78/50/377877850.db2.gz LZIBISMKZBDBKN-GDBMZVCRSA-N 2 1 278.827 3.129 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1C ZINC000262115694 377888897 /nfs/dbraw/zinc/88/88/97/377888897.db2.gz WWBLFDSBXPZZNY-ROUUACIJSA-N 2 1 272.436 3.440 20 0 CGADMP C[N@@H+](CCOc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000262422770 377896058 /nfs/dbraw/zinc/89/60/58/377896058.db2.gz FDPARTFGEJCZSX-GOSISDBHSA-N 2 1 298.430 3.293 20 0 CGADMP C[N@@H+](CCOc1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000262422791 377896540 /nfs/dbraw/zinc/89/65/40/377896540.db2.gz FDPARTFGEJCZSX-SFHVURJKSA-N 2 1 298.430 3.293 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC[NH2+]C1 ZINC000261731158 377847346 /nfs/dbraw/zinc/84/73/46/377847346.db2.gz HEVSBZGSKHTSIC-HZPDHXFCSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC[NH2+]C1 ZINC000261731158 377847355 /nfs/dbraw/zinc/84/73/55/377847355.db2.gz HEVSBZGSKHTSIC-HZPDHXFCSA-N 2 1 278.827 3.477 20 0 CGADMP CCC[C@]1(C)CCC[N@@H+](CCCn2ccnc2C)C1 ZINC000342864242 377847381 /nfs/dbraw/zinc/84/73/81/377847381.db2.gz MUSXSZNQCPBOEE-MRXNPFEDSA-N 2 1 263.429 3.484 20 0 CGADMP CCC[C@]1(C)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000342864242 377847394 /nfs/dbraw/zinc/84/73/94/377847394.db2.gz MUSXSZNQCPBOEE-MRXNPFEDSA-N 2 1 263.429 3.484 20 0 CGADMP CCC[C@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000342864242 377847400 /nfs/dbraw/zinc/84/74/00/377847400.db2.gz MUSXSZNQCPBOEE-MRXNPFEDSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261734869 377848263 /nfs/dbraw/zinc/84/82/63/377848263.db2.gz HSHJIYIGFLPRCY-IAGOWNOFSA-N 2 1 258.409 3.132 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2CCc2ccccc2)CC[NH2+]C1 ZINC000261769169 377851579 /nfs/dbraw/zinc/85/15/79/377851579.db2.gz MLNWTDMVMAINFN-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000575956532 378002746 /nfs/dbraw/zinc/00/27/46/378002746.db2.gz WQQMNPLIZLSLBX-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343705517 378070629 /nfs/dbraw/zinc/07/06/29/378070629.db2.gz FWWCZPYMGRCQQI-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000577870427 378019917 /nfs/dbraw/zinc/01/99/17/378019917.db2.gz DXSAMVOQWOAOFF-VHSXEESVSA-N 2 1 266.772 3.302 20 0 CGADMP COCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268793828 378112444 /nfs/dbraw/zinc/11/24/44/378112444.db2.gz VWRVIKSFQCCMIT-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP COCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268793828 378112448 /nfs/dbraw/zinc/11/24/48/378112448.db2.gz VWRVIKSFQCCMIT-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000268824407 378122966 /nfs/dbraw/zinc/12/29/66/378122966.db2.gz AUROLESZPRTKDQ-SJKOYZFVSA-N 2 1 287.382 3.244 20 0 CGADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccsc43)CC[C@@H]21 ZINC000268834945 378127151 /nfs/dbraw/zinc/12/71/51/378127151.db2.gz NGDWHOBIKNBBRH-JSGCOSHPSA-N 2 1 287.432 3.217 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccsc43)CC[C@@H]21 ZINC000268834945 378127153 /nfs/dbraw/zinc/12/71/53/378127153.db2.gz NGDWHOBIKNBBRH-JSGCOSHPSA-N 2 1 287.432 3.217 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000268838367 378127684 /nfs/dbraw/zinc/12/76/84/378127684.db2.gz UXZPDOLTHFOGLZ-SFHVURJKSA-N 2 1 283.419 3.111 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCC2CCOCC2)CC1 ZINC000579301592 378147730 /nfs/dbraw/zinc/14/77/30/378147730.db2.gz QMKNNJZAKPXNLW-UHFFFAOYSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000579313941 378148450 /nfs/dbraw/zinc/14/84/50/378148450.db2.gz UVAILUCBWCONPX-ZWKOTPCHSA-N 2 1 283.419 3.437 20 0 CGADMP C[C@@H]1C[NH+](CCCCNc2cc[nH+]cc2Cl)C[C@@H](C)O1 ZINC000269056456 378181871 /nfs/dbraw/zinc/18/18/71/378181871.db2.gz SGAJSUFYNNTWHS-CHWSQXEVSA-N 2 1 297.830 3.036 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000582074959 378283882 /nfs/dbraw/zinc/28/38/82/378283882.db2.gz BUXQSWCZJGUESL-AWEZNQCLSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346574060 378629918 /nfs/dbraw/zinc/62/99/18/378629918.db2.gz ZFUUVXJOGMHWFQ-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000346506758 378598653 /nfs/dbraw/zinc/59/86/53/378598653.db2.gz QCVVETLKCNQSRN-DYVFJYSZSA-N 2 1 286.350 3.435 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272299000 378607341 /nfs/dbraw/zinc/60/73/41/378607341.db2.gz GRHRMHZTCXMFHS-MPGHIAIKSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC1(C)C ZINC000346564210 378623729 /nfs/dbraw/zinc/62/37/29/378623729.db2.gz CMHZOVBGQYDWMQ-DJIMGWMZSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC1(C)C ZINC000346564210 378623736 /nfs/dbraw/zinc/62/37/36/378623736.db2.gz CMHZOVBGQYDWMQ-DJIMGWMZSA-N 2 1 272.436 3.285 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000423139194 295315755 /nfs/dbraw/zinc/31/57/55/295315755.db2.gz ZETWHZFIGZEVKN-GMTAPVOTSA-N 2 1 270.829 3.248 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346818979 378692447 /nfs/dbraw/zinc/69/24/47/378692447.db2.gz DJXNLVXQZAVARV-BJJXKVORSA-N 2 1 284.403 3.164 20 0 CGADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346825908 378692745 /nfs/dbraw/zinc/69/27/45/378692745.db2.gz HAOMQZHOEDFDAZ-GOSISDBHSA-N 2 1 274.452 3.187 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133938 378713729 /nfs/dbraw/zinc/71/37/29/378713729.db2.gz LSUDYHHUMYMDIJ-BHIYHBOVSA-N 2 1 286.463 3.454 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133938 378713733 /nfs/dbraw/zinc/71/37/33/378713733.db2.gz LSUDYHHUMYMDIJ-BHIYHBOVSA-N 2 1 286.463 3.454 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133938 378713737 /nfs/dbraw/zinc/71/37/37/378713737.db2.gz LSUDYHHUMYMDIJ-BHIYHBOVSA-N 2 1 286.463 3.454 20 0 CGADMP CSC1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847691 378726600 /nfs/dbraw/zinc/72/66/00/378726600.db2.gz PIHUKCCSTYSRDK-HOTGVXAUSA-N 2 1 296.524 3.468 20 0 CGADMP CSC1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847691 378726604 /nfs/dbraw/zinc/72/66/04/378726604.db2.gz PIHUKCCSTYSRDK-HOTGVXAUSA-N 2 1 296.524 3.468 20 0 CGADMP CSC1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847691 378726610 /nfs/dbraw/zinc/72/66/10/378726610.db2.gz PIHUKCCSTYSRDK-HOTGVXAUSA-N 2 1 296.524 3.468 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000272965465 378732130 /nfs/dbraw/zinc/73/21/30/378732130.db2.gz QWRHFTWDMGNJRX-QGPMSJSTSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272965465 378732133 /nfs/dbraw/zinc/73/21/33/378732133.db2.gz QWRHFTWDMGNJRX-QGPMSJSTSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272965465 378732136 /nfs/dbraw/zinc/73/21/36/378732136.db2.gz QWRHFTWDMGNJRX-QGPMSJSTSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272965465 378732141 /nfs/dbraw/zinc/73/21/41/378732141.db2.gz QWRHFTWDMGNJRX-QGPMSJSTSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272965465 378732145 /nfs/dbraw/zinc/73/21/45/378732145.db2.gz QWRHFTWDMGNJRX-QGPMSJSTSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CC1(F)F ZINC000638311521 378765771 /nfs/dbraw/zinc/76/57/71/378765771.db2.gz ZWHVADCGTWYLGT-UKRRQHHQSA-N 2 1 282.378 3.142 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC1(F)F ZINC000638336403 378771659 /nfs/dbraw/zinc/77/16/59/378771659.db2.gz UIRMGBYTYFYUPM-CJNGLKHVSA-N 2 1 294.389 3.068 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC1(F)F ZINC000638336403 378771665 /nfs/dbraw/zinc/77/16/65/378771665.db2.gz UIRMGBYTYFYUPM-CJNGLKHVSA-N 2 1 294.389 3.068 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1CCSC1 ZINC000278464353 193996237 /nfs/dbraw/zinc/99/62/37/193996237.db2.gz YJOWBNBEJFQPTE-HNNXBMFYSA-N 2 1 292.492 3.370 20 0 CGADMP CC[N@@H+]1CC[C@H](N(C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142921 378811696 /nfs/dbraw/zinc/81/16/96/378811696.db2.gz ZQWJGJGMEKBNDG-WBVHZDCISA-N 2 1 288.435 3.064 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142921 378811702 /nfs/dbraw/zinc/81/17/02/378811702.db2.gz ZQWJGJGMEKBNDG-WBVHZDCISA-N 2 1 288.435 3.064 20 0 CGADMP CC[N@@H+]1CC[C@@H](N(C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142918 378812097 /nfs/dbraw/zinc/81/20/97/378812097.db2.gz ZQWJGJGMEKBNDG-DOTOQJQBSA-N 2 1 288.435 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142918 378812101 /nfs/dbraw/zinc/81/21/01/378812101.db2.gz ZQWJGJGMEKBNDG-DOTOQJQBSA-N 2 1 288.435 3.064 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000348166224 378819111 /nfs/dbraw/zinc/81/91/11/378819111.db2.gz NXAZFZZLMKCXEA-KRWDZBQOSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000348166224 378819113 /nfs/dbraw/zinc/81/91/13/378819113.db2.gz NXAZFZZLMKCXEA-KRWDZBQOSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000348166224 378819116 /nfs/dbraw/zinc/81/91/16/378819116.db2.gz NXAZFZZLMKCXEA-KRWDZBQOSA-N 2 1 290.426 3.317 20 0 CGADMP Clc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346827984 218026946 /nfs/dbraw/zinc/02/69/46/218026946.db2.gz NDKKALDZFPANLB-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346834893 218030429 /nfs/dbraw/zinc/03/04/29/218030429.db2.gz NIXIBBVBEVWRIL-CRAIPNDOSA-N 2 1 288.435 3.222 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278509255 194017581 /nfs/dbraw/zinc/01/75/81/194017581.db2.gz MBHUJSJIKCRRDB-HUUCEWRRSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278509255 194017582 /nfs/dbraw/zinc/01/75/82/194017582.db2.gz MBHUJSJIKCRRDB-HUUCEWRRSA-N 2 1 296.480 3.208 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1CC(OCC)C1 ZINC000638566549 378838458 /nfs/dbraw/zinc/83/84/58/378838458.db2.gz LQNFVWNKVGLNNA-CGZBRXJRSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]CC1CC(OCC)C1 ZINC000638566549 378838463 /nfs/dbraw/zinc/83/84/63/378838463.db2.gz LQNFVWNKVGLNNA-CGZBRXJRSA-N 2 1 282.472 3.046 20 0 CGADMP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000348284841 378885922 /nfs/dbraw/zinc/88/59/22/378885922.db2.gz LCCGNEGISHUXPL-HNNXBMFYSA-N 2 1 282.497 3.269 20 0 CGADMP CSC1(C[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000348284841 378885929 /nfs/dbraw/zinc/88/59/29/378885929.db2.gz LCCGNEGISHUXPL-HNNXBMFYSA-N 2 1 282.497 3.269 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000348267901 378875446 /nfs/dbraw/zinc/87/54/46/378875446.db2.gz ATNNMPBCAVPNJL-WBVHZDCISA-N 2 1 293.455 3.109 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000348267901 378875449 /nfs/dbraw/zinc/87/54/49/378875449.db2.gz ATNNMPBCAVPNJL-WBVHZDCISA-N 2 1 293.455 3.109 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000347004333 218088161 /nfs/dbraw/zinc/08/81/61/218088161.db2.gz AUSLSEYFBCERJB-BFYDXBDKSA-N 2 1 260.425 3.239 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000347058553 218107006 /nfs/dbraw/zinc/10/70/06/218107006.db2.gz WQSKUCLWMDEUBL-ZBFHGGJFSA-N 2 1 288.435 3.035 20 0 CGADMP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638971052 378961372 /nfs/dbraw/zinc/96/13/72/378961372.db2.gz PIIGAQYTXXFWGA-OVWQWFNUSA-N 2 1 296.499 3.290 20 0 CGADMP CCC[N@@H+](Cc1cc(C)sc1C)C1CC[NH2+]CC1 ZINC000347111571 218126279 /nfs/dbraw/zinc/12/62/79/218126279.db2.gz QWVBKIQEWWPGOE-UHFFFAOYSA-N 2 1 266.454 3.329 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000347062614 218110004 /nfs/dbraw/zinc/11/00/04/218110004.db2.gz ZVMCHYRXUGSBSQ-SFHVURJKSA-N 2 1 266.388 3.277 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000347062614 218110006 /nfs/dbraw/zinc/11/00/06/218110006.db2.gz ZVMCHYRXUGSBSQ-SFHVURJKSA-N 2 1 266.388 3.277 20 0 CGADMP CCC[C@@H](C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)OC ZINC000639110575 379034406 /nfs/dbraw/zinc/03/44/06/379034406.db2.gz PLODLYYLFZHDOG-INIZCTEOSA-N 2 1 292.423 3.048 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)s1 ZINC000277055061 379056518 /nfs/dbraw/zinc/05/65/18/379056518.db2.gz CUGBCTAXNFLVTG-HNNXBMFYSA-N 2 1 266.454 3.281 20 0 CGADMP CCOC1CC(C[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000639132983 379058010 /nfs/dbraw/zinc/05/80/10/379058010.db2.gz FOTDUKQVAWKPQU-IIIMJFFVSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000347368301 218207543 /nfs/dbraw/zinc/20/75/43/218207543.db2.gz XRYUCTBCGAHACW-MAUKXSAKSA-N 2 1 297.446 3.097 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)cc1F ZINC000639175329 379093509 /nfs/dbraw/zinc/09/35/09/379093509.db2.gz NADZJRPCSDIMGL-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)cc1F ZINC000639175329 379093517 /nfs/dbraw/zinc/09/35/17/379093517.db2.gz NADZJRPCSDIMGL-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000278768547 194146924 /nfs/dbraw/zinc/14/69/24/194146924.db2.gz OEEMQQRCXHLAJN-SJORKVTESA-N 2 1 267.376 3.247 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639217703 379153330 /nfs/dbraw/zinc/15/33/30/379153330.db2.gz JVKFFYJMIFQPKT-HZSPNIEDSA-N 2 1 274.399 3.130 20 0 CGADMP CCc1ccccc1CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000277561174 379189380 /nfs/dbraw/zinc/18/93/80/379189380.db2.gz AIINAFPWMAISKP-CRAIPNDOSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000277561174 379189388 /nfs/dbraw/zinc/18/93/88/379189388.db2.gz AIINAFPWMAISKP-CRAIPNDOSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000277561174 379189395 /nfs/dbraw/zinc/18/93/95/379189395.db2.gz AIINAFPWMAISKP-CRAIPNDOSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000277561174 379189405 /nfs/dbraw/zinc/18/94/05/379189405.db2.gz AIINAFPWMAISKP-CRAIPNDOSA-N 2 1 274.452 3.206 20 0 CGADMP C([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639338323 379291445 /nfs/dbraw/zinc/29/14/45/379291445.db2.gz UDLMIQGBPROJEJ-TVFCKZIOSA-N 2 1 276.468 3.134 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(COC)cc1 ZINC000349404108 379266742 /nfs/dbraw/zinc/26/67/42/379266742.db2.gz DWIUQRLVHOYOFB-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C(C)C ZINC000373693833 379321293 /nfs/dbraw/zinc/32/12/93/379321293.db2.gz DJINMVYQVORMIM-KZNAEPCWSA-N 2 1 296.499 3.290 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000278334562 379351869 /nfs/dbraw/zinc/35/18/69/379351869.db2.gz WTLCMWWUTRJIEC-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000278334562 379351880 /nfs/dbraw/zinc/35/18/80/379351880.db2.gz WTLCMWWUTRJIEC-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP C[N@H+](Cc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374834047 379478595 /nfs/dbraw/zinc/47/85/95/379478595.db2.gz HDAVUCMABJIXSL-UHFFFAOYSA-N 2 1 295.430 3.430 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581840 379489428 /nfs/dbraw/zinc/48/94/28/379489428.db2.gz ZOTSWMATCKVXEI-ZMSDIMECSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684773 379545085 /nfs/dbraw/zinc/54/50/85/379545085.db2.gz YMNANJJPDQSMLJ-CQSZACIVSA-N 2 1 297.393 3.275 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376558589 379579535 /nfs/dbraw/zinc/57/95/35/379579535.db2.gz PCQMCVPPJSPSTE-MAUKXSAKSA-N 2 1 298.434 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376558589 379579539 /nfs/dbraw/zinc/57/95/39/379579539.db2.gz PCQMCVPPJSPSTE-MAUKXSAKSA-N 2 1 298.434 3.450 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000376739799 379598177 /nfs/dbraw/zinc/59/81/77/379598177.db2.gz MKXURZYYZABLRU-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCCc3cccc(F)c3)C2)CC1 ZINC000639758502 379572933 /nfs/dbraw/zinc/57/29/33/379572933.db2.gz VKCHHTQEXTYGFA-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000377398708 379671205 /nfs/dbraw/zinc/67/12/05/379671205.db2.gz JWKMPWSHPYDFFR-SOUVJXGZSA-N 2 1 275.440 3.462 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CC2=CCCC2)CC1 ZINC000639987471 379676735 /nfs/dbraw/zinc/67/67/35/379676735.db2.gz JVNLTBHFILGXRY-UHFFFAOYSA-N 2 1 262.441 3.437 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CCF)CC1 ZINC000639989873 379679760 /nfs/dbraw/zinc/67/97/60/379679760.db2.gz OJKCTFKCYLPEPJ-UHFFFAOYSA-N 2 1 267.392 3.043 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000280563541 379735254 /nfs/dbraw/zinc/73/52/54/379735254.db2.gz GBFXDNHTRMTSTP-CTYIDZIISA-N 2 1 299.393 3.323 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640155152 379736426 /nfs/dbraw/zinc/73/64/26/379736426.db2.gz QVKDTTZBCDYGEA-OAHLLOKOSA-N 2 1 279.334 3.021 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000392277056 379912471 /nfs/dbraw/zinc/91/24/71/379912471.db2.gz CWOHEDRSUULQHR-NSHDSACASA-N 2 1 282.790 3.392 20 0 CGADMP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282427221 379918305 /nfs/dbraw/zinc/91/83/05/379918305.db2.gz HDHLRMCCNVUFEQ-INIZCTEOSA-N 2 1 260.425 3.287 20 0 CGADMP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282427221 379918307 /nfs/dbraw/zinc/91/83/07/379918307.db2.gz HDHLRMCCNVUFEQ-INIZCTEOSA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000382124884 379870702 /nfs/dbraw/zinc/87/07/02/379870702.db2.gz NLAWLBFAVFFNIE-GXTWGEPZSA-N 2 1 252.427 3.131 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398167657 379928898 /nfs/dbraw/zinc/92/88/98/379928898.db2.gz HGAPJXULFHTXNB-LMSBXDPUSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398167657 379928904 /nfs/dbraw/zinc/92/89/04/379928904.db2.gz HGAPJXULFHTXNB-LMSBXDPUSA-N 2 1 272.436 3.285 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000402648823 379970318 /nfs/dbraw/zinc/97/03/18/379970318.db2.gz GBIKXQUXRGEFDX-QNWHQSFQSA-N 2 1 280.378 3.283 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H]1C ZINC000352735345 379930747 /nfs/dbraw/zinc/93/07/47/379930747.db2.gz HHIGJLHRQRCYEA-UPJWGTAASA-N 2 1 281.469 3.119 20 0 CGADMP CSc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000352819368 379981093 /nfs/dbraw/zinc/98/10/93/379981093.db2.gz AVOKRXUJKYRVMN-UHFFFAOYSA-N 2 1 296.505 3.434 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC000399051983 379933919 /nfs/dbraw/zinc/93/39/19/379933919.db2.gz VTPQPIIVDCOTNZ-IWCVFHTOSA-N 2 1 272.436 3.443 20 0 CGADMP CCc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cn1 ZINC000352755150 379942061 /nfs/dbraw/zinc/94/20/61/379942061.db2.gz LRAMWGHHHXCGBJ-UHFFFAOYSA-N 2 1 277.456 3.243 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000399863032 379945304 /nfs/dbraw/zinc/94/53/04/379945304.db2.gz FAXNSPCXZXDKEH-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1C ZINC000399863032 379945309 /nfs/dbraw/zinc/94/53/09/379945309.db2.gz FAXNSPCXZXDKEH-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000267578031 190338868 /nfs/dbraw/zinc/33/88/68/190338868.db2.gz KAXRVENLUQXKJB-RKVPGOIHSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000267578031 190338869 /nfs/dbraw/zinc/33/88/69/190338869.db2.gz KAXRVENLUQXKJB-RKVPGOIHSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000400339076 379949356 /nfs/dbraw/zinc/94/93/56/379949356.db2.gz GYRFMYKWPTUKSN-YGRLFVJLSA-N 2 1 287.234 3.266 20 0 CGADMP CSc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)s1 ZINC000352839860 379995573 /nfs/dbraw/zinc/99/55/73/379995573.db2.gz LLUHFJUPTMVEQC-UHFFFAOYSA-N 2 1 272.483 3.290 20 0 CGADMP CSc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)s1 ZINC000352839860 379995580 /nfs/dbraw/zinc/99/55/80/379995580.db2.gz LLUHFJUPTMVEQC-UHFFFAOYSA-N 2 1 272.483 3.290 20 0 CGADMP CCCc1nc(C)c(C[N@@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000641798761 380110924 /nfs/dbraw/zinc/11/09/24/380110924.db2.gz MGGIYIWRVZEZIE-UHFFFAOYSA-N 2 1 293.455 3.277 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000641801622 380111791 /nfs/dbraw/zinc/11/17/91/380111791.db2.gz CZIMHWGXTSJAPN-IAGOWNOFSA-N 2 1 297.402 3.089 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2nsc3ccccc32)[C@H]1CC[NH3+] ZINC000641823631 380114545 /nfs/dbraw/zinc/11/45/45/380114545.db2.gz SYHKYOMQYMYFLG-DOMZBBRYSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2nsc3ccccc32)[C@H]1CC[NH3+] ZINC000641823631 380114550 /nfs/dbraw/zinc/11/45/50/380114550.db2.gz SYHKYOMQYMYFLG-DOMZBBRYSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516656 380148765 /nfs/dbraw/zinc/14/87/65/380148765.db2.gz KIGZLSJVNBMUNM-ZOBUZTSGSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414168451 380197461 /nfs/dbraw/zinc/19/74/61/380197461.db2.gz ADZLXSNHAGKOGH-HBUWYVDXSA-N 2 1 290.426 3.381 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000414185657 380199839 /nfs/dbraw/zinc/19/98/39/380199839.db2.gz OOILYNZLOFCTHD-PBHICJAKSA-N 2 1 288.435 3.091 20 0 CGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000643501818 380325280 /nfs/dbraw/zinc/32/52/80/380325280.db2.gz QFZMJDLWTRLHGF-YESZJQIVSA-N 2 1 272.436 3.300 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)Cc1cccs1 ZINC000643514339 380333403 /nfs/dbraw/zinc/33/34/03/380333403.db2.gz JRTBACUBMHKEMP-CHWSQXEVSA-N 2 1 254.443 3.176 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521464 380335664 /nfs/dbraw/zinc/33/56/64/380335664.db2.gz JFCFFUVJMKSFGC-WCQYABFASA-N 2 1 282.815 3.141 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521462 380335841 /nfs/dbraw/zinc/33/58/41/380335841.db2.gz JFCFFUVJMKSFGC-AAEUAGOBSA-N 2 1 282.815 3.141 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000643457611 380310379 /nfs/dbraw/zinc/31/03/79/380310379.db2.gz PXKCGISHVGKMDX-HOCLYGCPSA-N 2 1 290.451 3.093 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccncc1 ZINC000643460287 380311427 /nfs/dbraw/zinc/31/14/27/380311427.db2.gz LEHWKUKAZHXSEO-MNEFBYGVSA-N 2 1 295.430 3.268 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000414672441 380363664 /nfs/dbraw/zinc/36/36/64/380363664.db2.gz PELYMKPUNYBCTA-GXTWGEPZSA-N 2 1 298.377 3.108 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643548923 380364914 /nfs/dbraw/zinc/36/49/14/380364914.db2.gz XNUKKUURVMHMRF-HOCLYGCPSA-N 2 1 273.424 3.187 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414673149 380365282 /nfs/dbraw/zinc/36/52/82/380365282.db2.gz BVWSYZYPWRGVKB-STQMWFEESA-N 2 1 296.842 3.169 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2F)C[C@H]1C ZINC000354222454 380368229 /nfs/dbraw/zinc/36/82/29/380368229.db2.gz JLLQPUWYMMRQPS-CABCVRRESA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2F)C[C@H]1C ZINC000354222454 380368234 /nfs/dbraw/zinc/36/82/34/380368234.db2.gz JLLQPUWYMMRQPS-CABCVRRESA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2F)C[C@H]1C ZINC000354222454 380368236 /nfs/dbraw/zinc/36/82/36/380368236.db2.gz JLLQPUWYMMRQPS-CABCVRRESA-N 2 1 294.414 3.009 20 0 CGADMP CCSc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000414679446 380368945 /nfs/dbraw/zinc/36/89/45/380368945.db2.gz ZWGLVCQILXQPGS-UAGQMJEPSA-N 2 1 290.476 3.358 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684569 380373333 /nfs/dbraw/zinc/37/33/33/380373333.db2.gz VZMXNKQNLRSEMU-HZSPNIEDSA-N 2 1 264.388 3.207 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414693213 380376533 /nfs/dbraw/zinc/37/65/33/380376533.db2.gz LMCGIRLXFSODDN-JKOKRWQUSA-N 2 1 281.469 3.141 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000414690343 380376634 /nfs/dbraw/zinc/37/66/34/380376634.db2.gz AIIBDRXDRQKDQP-SJLPKXTDSA-N 2 1 289.467 3.263 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000414690343 380376636 /nfs/dbraw/zinc/37/66/36/380376636.db2.gz AIIBDRXDRQKDQP-SJLPKXTDSA-N 2 1 289.467 3.263 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414698191 380378259 /nfs/dbraw/zinc/37/82/59/380378259.db2.gz IRHIRIGQCGPJTE-HPFXQQBRSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414700797 380379992 /nfs/dbraw/zinc/37/99/92/380379992.db2.gz VNULRKVNJRTUOP-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414699185 380380425 /nfs/dbraw/zinc/38/04/25/380380425.db2.gz DLVGQHYNSHYXCV-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000414713762 380385433 /nfs/dbraw/zinc/38/54/33/380385433.db2.gz VGQBAPHGAIENBV-ZDUSSCGKSA-N 2 1 289.448 3.460 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414727183 380387493 /nfs/dbraw/zinc/38/74/93/380387493.db2.gz AOAKAKNMVFZLHC-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC000414733223 380389503 /nfs/dbraw/zinc/38/95/03/380389503.db2.gz DIWNXAYYENAQFG-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414761627 380394530 /nfs/dbraw/zinc/39/45/30/380394530.db2.gz UHJCRYDRWDFZBN-JKSUJKDBSA-N 2 1 272.436 3.050 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000643526898 380342643 /nfs/dbraw/zinc/34/26/43/380342643.db2.gz HJFAPJRMOFGKAM-BXUZGUMPSA-N 2 1 252.377 3.240 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000643528103 380345073 /nfs/dbraw/zinc/34/50/73/380345073.db2.gz ZOOWOXZWICIIQO-GWCFXTLKSA-N 2 1 274.330 3.339 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414762817 380395307 /nfs/dbraw/zinc/39/53/07/380395307.db2.gz LSRRPIAVZVSXSR-UHFFFAOYSA-N 2 1 270.420 3.140 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414668576 380361549 /nfs/dbraw/zinc/36/15/49/380361549.db2.gz AHPFPRIKFNGGMG-HUUCEWRRSA-N 2 1 278.415 3.424 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547351 380361845 /nfs/dbraw/zinc/36/18/45/380361845.db2.gz DFIFAUXKSQMUAI-WBMJQRKESA-N 2 1 292.373 3.216 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000414811576 380423844 /nfs/dbraw/zinc/42/38/44/380423844.db2.gz JOQRYAIRYDOTMG-SJORKVTESA-N 2 1 262.441 3.423 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000414815891 380428551 /nfs/dbraw/zinc/42/85/51/380428551.db2.gz YSFLQGJAAYCKGI-UHFFFAOYSA-N 2 1 292.471 3.075 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000414816238 380428733 /nfs/dbraw/zinc/42/87/33/380428733.db2.gz ZOKPPZMKWIBLRP-UHFFFAOYSA-N 2 1 271.408 3.150 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000414831035 380439648 /nfs/dbraw/zinc/43/96/48/380439648.db2.gz BTEHXOUIADZJRL-GFCCVEGCSA-N 2 1 296.842 3.074 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccsc1 ZINC000414830731 380440467 /nfs/dbraw/zinc/44/04/67/380440467.db2.gz BMFITXCTNQZRDL-GXTWGEPZSA-N 2 1 254.443 3.032 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1F ZINC000414830639 380440755 /nfs/dbraw/zinc/44/07/55/380440755.db2.gz BGJQRNUGSCKZKA-ZFWWWQNUSA-N 2 1 266.404 3.110 20 0 CGADMP Cc1nc2ccc(C[NH2+]CC3([NH3+])CCCCC3)cc2s1 ZINC000414835550 380443563 /nfs/dbraw/zinc/44/35/63/380443563.db2.gz DHDRXAZDBPMXII-UHFFFAOYSA-N 2 1 289.448 3.356 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccccc2C(F)(F)F)CCCCC1 ZINC000414837321 380443585 /nfs/dbraw/zinc/44/35/85/380443585.db2.gz GRZYJBMMRJQEOZ-UHFFFAOYSA-N 2 1 286.341 3.457 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)s1)C1CCCCC1 ZINC000414840494 380448671 /nfs/dbraw/zinc/44/86/71/380448671.db2.gz MJOSGDYKRDXFRD-LBPRGKRZSA-N 2 1 272.845 3.399 20 0 CGADMP C[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)[C@H]1CCC[NH2+]C1 ZINC000414843333 380450294 /nfs/dbraw/zinc/45/02/94/380450294.db2.gz BTCJZESVJPQADE-OCCSQVGLSA-N 2 1 293.480 3.278 20 0 CGADMP CC[C@@H](O)C[NH2+]CC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000644564497 380452218 /nfs/dbraw/zinc/45/22/18/380452218.db2.gz ZMNBYKBPAWTBTK-NVXWUHKLSA-N 2 1 292.467 3.257 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774639 380398550 /nfs/dbraw/zinc/39/85/50/380398550.db2.gz FOALQLOLNXWIKD-GJZGRUSLSA-N 2 1 278.827 3.162 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414772773 380398737 /nfs/dbraw/zinc/39/87/37/380398737.db2.gz CIXZWQCOZSNFRS-ROUUACIJSA-N 2 1 272.436 3.071 20 0 CGADMP C[C@@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(C)(C)C ZINC000643973660 380403999 /nfs/dbraw/zinc/40/39/99/380403999.db2.gz YTZUTOCDRGWNPS-KBPBESRZSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414788269 380405034 /nfs/dbraw/zinc/40/50/34/380405034.db2.gz WMUCMYUVUWLKBN-SJLPKXTDSA-N 2 1 272.436 3.125 20 0 CGADMP Fc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786836 380405039 /nfs/dbraw/zinc/40/50/39/380405039.db2.gz UZBQISAJHLZWRH-UONOGXRCSA-N 2 1 296.817 3.301 20 0 CGADMP CCCCCOc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414805471 380418551 /nfs/dbraw/zinc/41/85/51/380418551.db2.gz PDBJGZSVBDBURV-UHFFFAOYSA-N 2 1 264.413 3.083 20 0 CGADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 ZINC000414806569 380420651 /nfs/dbraw/zinc/42/06/51/380420651.db2.gz HSKDEPGUMXFEDM-NSHDSACASA-N 2 1 276.330 3.274 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000414808692 380420967 /nfs/dbraw/zinc/42/09/67/380420967.db2.gz FSGOXRVFOGPNBH-OAHLLOKOSA-N 2 1 264.413 3.081 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414922651 380489674 /nfs/dbraw/zinc/48/96/74/380489674.db2.gz GHBKEFHHURDULY-UBDQQSCGSA-N 2 1 272.436 3.084 20 0 CGADMP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+][C@H](C)C[NH3+])cc1 ZINC000414932065 380494284 /nfs/dbraw/zinc/49/42/84/380494284.db2.gz SFWJWNCIRCSPJO-KBRIMQKVSA-N 2 1 276.424 3.047 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)oc2cc1C ZINC000414940974 380497549 /nfs/dbraw/zinc/49/75/49/380497549.db2.gz CEQWAKRWGVGHJR-ZFWWWQNUSA-N 2 1 272.392 3.280 20 0 CGADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)C[NH3+] ZINC000414942663 380500971 /nfs/dbraw/zinc/50/09/71/380500971.db2.gz KLQHMRGWECRMNX-SWLSCSKDSA-N 2 1 268.832 3.234 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000414866943 380465116 /nfs/dbraw/zinc/46/51/16/380465116.db2.gz HYRYUWKPIINJHH-IAGOWNOFSA-N 2 1 260.425 3.220 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414873462 380468785 /nfs/dbraw/zinc/46/87/85/380468785.db2.gz XOGGYUGBPHOUMV-SJORKVTESA-N 2 1 260.425 3.130 20 0 CGADMP CCCCOc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414900359 380479901 /nfs/dbraw/zinc/47/99/01/380479901.db2.gz DHALPFOLEPFINK-MRXNPFEDSA-N 2 1 276.424 3.097 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCOC(C)(C)C)[C@H](C)C1 ZINC000354685328 380527674 /nfs/dbraw/zinc/52/76/74/380527674.db2.gz YYBQXIJPVMNGHM-HZPDHXFCSA-N 2 1 284.488 3.244 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCOC(C)(C)C)[C@H](C)C1 ZINC000354685328 380527685 /nfs/dbraw/zinc/52/76/85/380527685.db2.gz YYBQXIJPVMNGHM-HZPDHXFCSA-N 2 1 284.488 3.244 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCOC(C)(C)C)[C@H](C)C1 ZINC000354685328 380527691 /nfs/dbraw/zinc/52/76/91/380527691.db2.gz YYBQXIJPVMNGHM-HZPDHXFCSA-N 2 1 284.488 3.244 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)C1CCCCC1 ZINC000645112274 380585805 /nfs/dbraw/zinc/58/58/05/380585805.db2.gz GDSZFPBAAPLQLJ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)C1CCCCC1 ZINC000645112274 380585811 /nfs/dbraw/zinc/58/58/11/380585811.db2.gz GDSZFPBAAPLQLJ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)C1CCCCC1 ZINC000645112274 380585816 /nfs/dbraw/zinc/58/58/16/380585816.db2.gz GDSZFPBAAPLQLJ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)C1CCCCC1 ZINC000645112274 380585824 /nfs/dbraw/zinc/58/58/24/380585824.db2.gz GDSZFPBAAPLQLJ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000417871397 380686181 /nfs/dbraw/zinc/68/61/81/380686181.db2.gz ZYEMWWGDXLAKFK-BZSNNMDCSA-N 2 1 272.436 3.254 20 0 CGADMP C(C[N@H+]1CCC[C@H]1C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000420323354 380848415 /nfs/dbraw/zinc/84/84/15/380848415.db2.gz SXYLQNNECCEUMX-ZBFHGGJFSA-N 2 1 250.430 3.031 20 0 CGADMP c1cc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cs1 ZINC000420319981 380848506 /nfs/dbraw/zinc/84/85/06/380848506.db2.gz PUQDUGLNZQWALY-UKRRQHHQSA-N 2 1 264.438 3.275 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420321062 380848987 /nfs/dbraw/zinc/84/89/87/380848987.db2.gz CFMSHRCVPVNAQN-XIRDDKMYSA-N 2 1 288.435 3.078 20 0 CGADMP CCN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccs1 ZINC000356831453 380888809 /nfs/dbraw/zinc/88/88/09/380888809.db2.gz ALDCCBWQGSNXTL-AWEZNQCLSA-N 2 1 266.454 3.444 20 0 CGADMP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000356831453 380888820 /nfs/dbraw/zinc/88/88/20/380888820.db2.gz ALDCCBWQGSNXTL-AWEZNQCLSA-N 2 1 266.454 3.444 20 0 CGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccs1 ZINC000356831453 380888858 /nfs/dbraw/zinc/88/88/58/380888858.db2.gz ALDCCBWQGSNXTL-AWEZNQCLSA-N 2 1 266.454 3.444 20 0 CGADMP Cc1[nH+]ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1Cl ZINC000357325166 381105686 /nfs/dbraw/zinc/10/56/86/381105686.db2.gz UFVJBHSVDTYWIV-KGLIPLIRSA-N 2 1 293.842 3.495 20 0 CGADMP Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c2cc(F)ccc2[nH+]1 ZINC000357533038 381198936 /nfs/dbraw/zinc/19/89/36/381198936.db2.gz PKXCSVNJCWNDRZ-JSGCOSHPSA-N 2 1 299.393 3.141 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OC)c1 ZINC000360028455 381418205 /nfs/dbraw/zinc/41/82/05/381418205.db2.gz FONGOLHIYQQUQE-NUJGCVRESA-N 2 1 288.435 3.363 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000360430272 381540423 /nfs/dbraw/zinc/54/04/23/381540423.db2.gz WTQASAOEVABJKU-QAPCUYQASA-N 2 1 290.451 3.043 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000334868014 207215996 /nfs/dbraw/zinc/21/59/96/207215996.db2.gz IAAVNTHWUNCGEF-PKOBYXMFSA-N 2 1 295.430 3.199 20 0 CGADMP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361143578 381658209 /nfs/dbraw/zinc/65/82/09/381658209.db2.gz VNLWETOAGBQJQC-GUYCJALGSA-N 2 1 284.407 3.196 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCC(C)(C)C1 ZINC000361468945 381760646 /nfs/dbraw/zinc/76/06/46/381760646.db2.gz KIIFLNJSAWRRSO-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP COC1(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CCCCC1 ZINC000361565446 381807960 /nfs/dbraw/zinc/80/79/60/381807960.db2.gz PJXOUPCXZFNOAO-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP COC1(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC000361565446 381807970 /nfs/dbraw/zinc/80/79/70/381807970.db2.gz PJXOUPCXZFNOAO-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP COC1(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC000361565446 381807978 /nfs/dbraw/zinc/80/79/78/381807978.db2.gz PJXOUPCXZFNOAO-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000361931801 381875108 /nfs/dbraw/zinc/87/51/08/381875108.db2.gz YXPRZMOZCZBXGB-YOEHRIQHSA-N 2 1 288.435 3.234 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000361931801 381875115 /nfs/dbraw/zinc/87/51/15/381875115.db2.gz YXPRZMOZCZBXGB-YOEHRIQHSA-N 2 1 288.435 3.234 20 0 CGADMP COCC[N@@H+](CCCCn1ccnc1C)[C@@H]1CC[C@H](C)C1 ZINC000362163501 381893626 /nfs/dbraw/zinc/89/36/26/381893626.db2.gz OPJKVOGEJKUNEQ-DOTOQJQBSA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CC[C@H](C)C1 ZINC000362163501 381893631 /nfs/dbraw/zinc/89/36/31/381893631.db2.gz OPJKVOGEJKUNEQ-DOTOQJQBSA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CC[C@H](C)C1 ZINC000362163501 381893638 /nfs/dbraw/zinc/89/36/38/381893638.db2.gz OPJKVOGEJKUNEQ-DOTOQJQBSA-N 2 1 293.455 3.109 20 0 CGADMP CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362402625 381976356 /nfs/dbraw/zinc/97/63/56/381976356.db2.gz MPILMMACMDRTCW-UHFFFAOYSA-N 2 1 272.436 3.385 20 0 CGADMP c1cc2cc[nH+]cc2c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000227302060 542292932 /nfs/dbraw/zinc/29/29/32/542292932.db2.gz FMKLRNMBQWBVMD-CABCVRRESA-N 2 1 267.376 3.274 20 0 CGADMP c1cc2cc[nH+]cc2c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000227302060 542292935 /nfs/dbraw/zinc/29/29/35/542292935.db2.gz FMKLRNMBQWBVMD-CABCVRRESA-N 2 1 267.376 3.274 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362516483 382031581 /nfs/dbraw/zinc/03/15/81/382031581.db2.gz QEYKRLBTGBUMAV-HUUCEWRRSA-N 2 1 284.806 3.442 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000367117491 382332970 /nfs/dbraw/zinc/33/29/70/382332970.db2.gz PSLXMFCQQVTRRY-UHFFFAOYSA-N 2 1 293.480 3.333 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000367117491 382332973 /nfs/dbraw/zinc/33/29/73/382332973.db2.gz PSLXMFCQQVTRRY-UHFFFAOYSA-N 2 1 293.480 3.333 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)[C@H]2CCC[C@@H]21 ZINC000367597804 382350557 /nfs/dbraw/zinc/35/05/57/382350557.db2.gz CEEWJQMFHMYDPV-PMPSAXMXSA-N 2 1 262.441 3.029 20 0 CGADMP COc1ccccc1[C@H]([NH2+]CC(C)(C)[NH3+])C1CCCC1 ZINC000423287308 533020540 /nfs/dbraw/zinc/02/05/40/533020540.db2.gz LJJGAVRYLGRVSQ-MRXNPFEDSA-N 2 1 276.424 3.253 20 0 CGADMP CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000353747263 220301262 /nfs/dbraw/zinc/30/12/62/220301262.db2.gz FLUHAULFKZBSNM-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000353747263 220301266 /nfs/dbraw/zinc/30/12/66/220301266.db2.gz FLUHAULFKZBSNM-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000353747263 220301270 /nfs/dbraw/zinc/30/12/70/220301270.db2.gz FLUHAULFKZBSNM-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000353747263 220301275 /nfs/dbraw/zinc/30/12/75/220301275.db2.gz FLUHAULFKZBSNM-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429543525 285140408 /nfs/dbraw/zinc/14/04/08/285140408.db2.gz WPELWCSXPBKARS-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1C(C)(C)C1(C)C ZINC000353928775 220411789 /nfs/dbraw/zinc/41/17/89/220411789.db2.gz LNCLLZVBZRYTSX-MJBXVCDLSA-N 2 1 264.457 3.274 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000278314988 285192491 /nfs/dbraw/zinc/19/24/91/285192491.db2.gz UIICEMWBZBKQNU-KRWDZBQOSA-N 2 1 273.424 3.007 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000423234147 533170720 /nfs/dbraw/zinc/17/07/20/533170720.db2.gz LCTOAESWSGHPMG-UONOGXRCSA-N 2 1 284.403 3.251 20 0 CGADMP CCn1cncc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000417986940 227370283 /nfs/dbraw/zinc/37/02/83/227370283.db2.gz HDDSHHKSJUCEPW-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[C@@H]1C ZINC000322226394 542440765 /nfs/dbraw/zinc/44/07/65/542440765.db2.gz YNWKSWILCYGYIA-NDZFUPFFSA-N 2 1 250.430 3.026 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@@H]1C ZINC000322226394 542440767 /nfs/dbraw/zinc/44/07/67/542440767.db2.gz YNWKSWILCYGYIA-NDZFUPFFSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CC[NH2+]1 ZINC000414712904 297399648 /nfs/dbraw/zinc/39/96/48/297399648.db2.gz UPJVXXVQWLNUMP-ZACQAIPSSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000339065582 542485800 /nfs/dbraw/zinc/48/58/00/542485800.db2.gz APRSDBKNOSVPLB-ZFWWWQNUSA-N 2 1 293.480 3.025 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000340320843 542490403 /nfs/dbraw/zinc/49/04/03/542490403.db2.gz FHLHEVAEZOEALM-JYJNAYRXSA-N 2 1 258.409 3.210 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000340320843 542490407 /nfs/dbraw/zinc/49/04/07/542490407.db2.gz FHLHEVAEZOEALM-JYJNAYRXSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390670748 262238178 /nfs/dbraw/zinc/23/81/78/262238178.db2.gz RYYUNEIAGWBCGQ-MQYQWHSLSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423317787 533430027 /nfs/dbraw/zinc/43/00/27/533430027.db2.gz KPQGVOMRCRJKHM-OQPBUACISA-N 2 1 273.207 3.381 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1nccc2ccccc21 ZINC000424369770 533520128 /nfs/dbraw/zinc/52/01/28/533520128.db2.gz CKCAGBHFUJBXMC-DAXOMENPSA-N 2 1 269.392 3.155 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2ccccc2n1 ZINC000423397053 533524661 /nfs/dbraw/zinc/52/46/61/533524661.db2.gz UIWCUIDEFZHIPC-UMVBOHGHSA-N 2 1 269.392 3.026 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000423379875 533497780 /nfs/dbraw/zinc/49/77/80/533497780.db2.gz YBROMZTWIUXLEA-VHSXEESVSA-N 2 1 292.370 3.339 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423285447 533537360 /nfs/dbraw/zinc/53/73/60/533537360.db2.gz YCAGAEDDPNHVCL-MLGOLLRUSA-N 2 1 260.425 3.372 20 0 CGADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c2ccccc12 ZINC000094692768 533537495 /nfs/dbraw/zinc/53/74/95/533537495.db2.gz IHBBWTNDVHGIJB-UHFFFAOYSA-N 2 1 286.419 3.265 20 0 CGADMP COc1cc(C)ccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000449325261 533649863 /nfs/dbraw/zinc/64/98/63/533649863.db2.gz LHZISSNRMWWUJD-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP COc1cc(C)ccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000449325261 533649867 /nfs/dbraw/zinc/64/98/67/533649867.db2.gz LHZISSNRMWWUJD-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000051626155 392071687 /nfs/dbraw/zinc/07/16/87/392071687.db2.gz NOVIMAGQCZCPHH-HMQMGEFJSA-N 2 1 258.409 3.353 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000361767468 392319109 /nfs/dbraw/zinc/31/91/09/392319109.db2.gz BPKCISCKFFPKOS-YNEHKIRRSA-N 2 1 293.480 3.155 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000361767468 392319115 /nfs/dbraw/zinc/31/91/15/392319115.db2.gz BPKCISCKFFPKOS-YNEHKIRRSA-N 2 1 293.480 3.155 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC000105443830 392289069 /nfs/dbraw/zinc/28/90/69/392289069.db2.gz PYOSPSFDSQGBKM-AWEZNQCLSA-N 2 1 271.408 3.234 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC000105443767 392289959 /nfs/dbraw/zinc/28/99/59/392289959.db2.gz YUYINNHYGKQCOV-CYBMUJFWSA-N 2 1 271.408 3.234 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000108370977 392342317 /nfs/dbraw/zinc/34/23/17/392342317.db2.gz JREZSBKJLXDJEN-UHFFFAOYSA-N 2 1 260.425 3.266 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC000245697910 131089223 /nfs/dbraw/zinc/08/92/23/131089223.db2.gz XCZZNUXFGRJASV-DJIMGWMZSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000245697910 131089225 /nfs/dbraw/zinc/08/92/25/131089225.db2.gz XCZZNUXFGRJASV-DJIMGWMZSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000245697910 131089226 /nfs/dbraw/zinc/08/92/26/131089226.db2.gz XCZZNUXFGRJASV-DJIMGWMZSA-N 2 1 258.409 3.164 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000249383513 131121551 /nfs/dbraw/zinc/12/15/51/131121551.db2.gz VVIKRLXOWQCFRY-OLZOCXBDSA-N 2 1 298.377 3.280 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113655622 392383637 /nfs/dbraw/zinc/38/36/37/392383637.db2.gz NYBXWLDGYHALNW-YPMHNXCESA-N 2 1 286.341 3.265 20 0 CGADMP CCC1([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000453287949 542680961 /nfs/dbraw/zinc/68/09/61/542680961.db2.gz LEFCAGHLUVMCFN-HOTGVXAUSA-N 2 1 258.409 3.354 20 0 CGADMP CCC1([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000453287949 542680965 /nfs/dbraw/zinc/68/09/65/542680965.db2.gz LEFCAGHLUVMCFN-HOTGVXAUSA-N 2 1 258.409 3.354 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000459368591 542693982 /nfs/dbraw/zinc/69/39/82/542693982.db2.gz NHSJFRWFITWPFQ-UHFFFAOYSA-N 2 1 287.382 3.161 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236039 542701571 /nfs/dbraw/zinc/70/15/71/542701571.db2.gz IDVNQKUDKCCIOS-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236039 542701576 /nfs/dbraw/zinc/70/15/76/542701576.db2.gz IDVNQKUDKCCIOS-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236039 542701580 /nfs/dbraw/zinc/70/15/80/542701580.db2.gz IDVNQKUDKCCIOS-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)CC[N@H+]1C ZINC000153396889 392517666 /nfs/dbraw/zinc/51/76/66/392517666.db2.gz IQNGHSCNTPBNOK-DNVCBOLYSA-N 2 1 295.430 3.321 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136388582 392475859 /nfs/dbraw/zinc/47/58/59/392475859.db2.gz YITPXFBKHCZWHX-LSDHHAIUSA-N 2 1 278.440 3.033 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136388582 392475863 /nfs/dbraw/zinc/47/58/63/392475863.db2.gz YITPXFBKHCZWHX-LSDHHAIUSA-N 2 1 278.440 3.033 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136388607 392476242 /nfs/dbraw/zinc/47/62/42/392476242.db2.gz YITPXFBKHCZWHX-GJZGRUSLSA-N 2 1 278.440 3.033 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136388607 392476245 /nfs/dbraw/zinc/47/62/45/392476245.db2.gz YITPXFBKHCZWHX-GJZGRUSLSA-N 2 1 278.440 3.033 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000368006625 392484926 /nfs/dbraw/zinc/48/49/26/392484926.db2.gz NZIDNCXRNWAXBI-GTPINHCMSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000368006625 392484932 /nfs/dbraw/zinc/48/49/32/392484932.db2.gz NZIDNCXRNWAXBI-GTPINHCMSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000151917776 392489798 /nfs/dbraw/zinc/48/97/98/392489798.db2.gz MZKLIDHCJIBSDM-LLVKDONJSA-N 2 1 269.458 3.177 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152387512 392504888 /nfs/dbraw/zinc/50/48/88/392504888.db2.gz ZCGSSSKDVZQKAC-KDOFPFPSSA-N 2 1 270.420 3.056 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000161571042 392585012 /nfs/dbraw/zinc/58/50/12/392585012.db2.gz ZBECGFVHQHFKAW-BBRMVZONSA-N 2 1 292.854 3.444 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000166373915 392608522 /nfs/dbraw/zinc/60/85/22/392608522.db2.gz IARJLIPSYANWSW-WBAXXEDZSA-N 2 1 292.442 3.465 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000166373915 392608529 /nfs/dbraw/zinc/60/85/29/392608529.db2.gz IARJLIPSYANWSW-WBAXXEDZSA-N 2 1 292.442 3.465 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCC2(C)C)[C@H](c2ccccc2)C1 ZINC000647344716 392694501 /nfs/dbraw/zinc/69/45/01/392694501.db2.gz XVPIZQPWBKBZTF-IXDOHACOSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1ccc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000374650387 392685405 /nfs/dbraw/zinc/68/54/05/392685405.db2.gz XMUWXSQIZXGOIL-GOSISDBHSA-N 2 1 287.451 3.054 20 0 CGADMP COc1ccc([C@@H](CC(C)C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000647281332 392633902 /nfs/dbraw/zinc/63/39/02/392633902.db2.gz IUCUQWSBSHZYAN-GOSISDBHSA-N 2 1 290.451 3.466 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284119 392635738 /nfs/dbraw/zinc/63/57/38/392635738.db2.gz CJIPXJLMRATUJG-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284119 392635741 /nfs/dbraw/zinc/63/57/41/392635741.db2.gz CJIPXJLMRATUJG-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000647479691 392734871 /nfs/dbraw/zinc/73/48/71/392734871.db2.gz PVEXZQXAWFTLQV-QGPMSJSTSA-N 2 1 290.426 3.393 20 0 CGADMP CCc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482932 392736590 /nfs/dbraw/zinc/73/65/90/392736590.db2.gz KSPXZWKCOPWXPI-UHFFFAOYSA-N 2 1 264.438 3.027 20 0 CGADMP CC[C@H]1CCC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482592 392737525 /nfs/dbraw/zinc/73/75/25/392737525.db2.gz RKVHRRDDEYBETQ-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3cc(OC)ccc3o2)CC[C@H]1[NH3+] ZINC000647497355 392740742 /nfs/dbraw/zinc/74/07/42/392740742.db2.gz DNWFLVXDVIBGTR-BLLLJJGKSA-N 2 1 288.391 3.001 20 0 CGADMP CC[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000647497696 392740957 /nfs/dbraw/zinc/74/09/57/392740957.db2.gz RMULHSVXEWEWGE-WBMJQRKESA-N 2 1 298.833 3.471 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000647497696 392740959 /nfs/dbraw/zinc/74/09/59/392740959.db2.gz RMULHSVXEWEWGE-WBMJQRKESA-N 2 1 298.833 3.471 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nccc2ccccc21 ZINC000647506198 392744142 /nfs/dbraw/zinc/74/41/42/392744142.db2.gz OYBYDVIIKRJAHK-INIZCTEOSA-N 2 1 271.408 3.040 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC000647543569 392759810 /nfs/dbraw/zinc/75/98/10/392759810.db2.gz PPSXVFMOVUZRNB-KBPBESRZSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542736 392760659 /nfs/dbraw/zinc/76/06/59/392760659.db2.gz BBMQFBKRHKBURN-JKSUJKDBSA-N 2 1 276.399 3.037 20 0 CGADMP CC[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937054 392837528 /nfs/dbraw/zinc/83/75/28/392837528.db2.gz QDESKBPWIVNOLR-HOCLYGCPSA-N 2 1 280.843 3.332 20 0 CGADMP CC[C@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000647936930 392837615 /nfs/dbraw/zinc/83/76/15/392837615.db2.gz NOJKUZRJEZGFLE-NHYWBVRUSA-N 2 1 284.806 3.081 20 0 CGADMP CC[C@H]1C[N@@H+](CCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000647936930 392837618 /nfs/dbraw/zinc/83/76/18/392837618.db2.gz NOJKUZRJEZGFLE-NHYWBVRUSA-N 2 1 284.806 3.081 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC000647707510 392787399 /nfs/dbraw/zinc/78/73/99/392787399.db2.gz UQFRASNMAZGULV-KGLIPLIRSA-N 2 1 255.365 3.225 20 0 CGADMP C[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1[NH3+] ZINC000335333790 392789422 /nfs/dbraw/zinc/78/94/22/392789422.db2.gz GKPUWTZSTQBSPR-XHDPSFHLSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1[NH3+] ZINC000335333790 392789431 /nfs/dbraw/zinc/78/94/31/392789431.db2.gz GKPUWTZSTQBSPR-XHDPSFHLSA-N 2 1 289.810 3.057 20 0 CGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000187802919 392791668 /nfs/dbraw/zinc/79/16/68/392791668.db2.gz OTKVVIIQCONFDD-SFHVURJKSA-N 2 1 272.436 3.481 20 0 CGADMP CSc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815303 392808537 /nfs/dbraw/zinc/80/85/37/392808537.db2.gz YKYILZDYAVBTMY-UHFFFAOYSA-N 2 1 276.449 3.125 20 0 CGADMP CSc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815303 392808541 /nfs/dbraw/zinc/80/85/41/392808541.db2.gz YKYILZDYAVBTMY-UHFFFAOYSA-N 2 1 276.449 3.125 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647813483 392808974 /nfs/dbraw/zinc/80/89/74/392808974.db2.gz VDHZONJHPYHYQB-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647813483 392808982 /nfs/dbraw/zinc/80/89/82/392808982.db2.gz VDHZONJHPYHYQB-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP C[N@H+]1CC[C@H](Nc2[nH+]ccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000647873806 392818450 /nfs/dbraw/zinc/81/84/50/392818450.db2.gz IBQFAVAMQWNBOX-IRXDYDNUSA-N 2 1 292.386 3.420 20 0 CGADMP Fc1ccc(F)c(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647890764 392828429 /nfs/dbraw/zinc/82/84/29/392828429.db2.gz OOIBVHVEIVTXKO-CYBMUJFWSA-N 2 1 294.389 3.319 20 0 CGADMP Fc1ccc(F)c(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647890764 392828433 /nfs/dbraw/zinc/82/84/33/392828433.db2.gz OOIBVHVEIVTXKO-CYBMUJFWSA-N 2 1 294.389 3.319 20 0 CGADMP Fc1ccc(CC[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000647891430 392828893 /nfs/dbraw/zinc/82/88/93/392828893.db2.gz BDOPVEPSITXXQU-MRXNPFEDSA-N 2 1 290.426 3.222 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903021 392829035 /nfs/dbraw/zinc/82/90/35/392829035.db2.gz DYEVWNVBQAUQKY-MSOLQXFVSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904157 392829277 /nfs/dbraw/zinc/82/92/77/392829277.db2.gz XWCLZEKQIWGDLH-RBUKOAKNSA-N 2 1 286.463 3.392 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647890100 392829342 /nfs/dbraw/zinc/82/93/42/392829342.db2.gz QHZAJTYNJYJELR-MELADBBJSA-N 2 1 280.843 3.373 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647902931 392829523 /nfs/dbraw/zinc/82/95/23/392829523.db2.gz DPQCAEZVTDWYJT-WMZOPIPTSA-N 2 1 290.426 3.222 20 0 CGADMP CC1([NH3+])CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000647924089 392834053 /nfs/dbraw/zinc/83/40/53/392834053.db2.gz DQFXDHYGYFOSJX-CQSZACIVSA-N 2 1 264.800 3.141 20 0 CGADMP Cc1cc(NCCCC[NH+]2CCC(C)CC2)nc(C)[nH+]1 ZINC000193993248 392894139 /nfs/dbraw/zinc/89/41/39/392894139.db2.gz UORCDMQJQHTVIQ-UHFFFAOYSA-N 2 1 276.428 3.017 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000381453121 392908890 /nfs/dbraw/zinc/90/88/90/392908890.db2.gz HJNBWHZLQNFJFR-STQMWFEESA-N 2 1 252.427 3.049 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000512325259 392850219 /nfs/dbraw/zinc/85/02/19/392850219.db2.gz VFXXQUBBALMKFW-KMFMINBZSA-N 2 1 264.457 3.418 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000647997534 392860203 /nfs/dbraw/zinc/86/02/03/392860203.db2.gz LSIFAYGUECWCQW-GOEBONIOSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000336831350 392870921 /nfs/dbraw/zinc/87/09/21/392870921.db2.gz CYCQQBUZVALPKN-ADAWSYLGSA-N 2 1 270.420 3.451 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340169126 392965232 /nfs/dbraw/zinc/96/52/32/392965232.db2.gz ZFANQXIHDLGADN-RTBURBONSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340169126 392965240 /nfs/dbraw/zinc/96/52/40/392965240.db2.gz ZFANQXIHDLGADN-RTBURBONSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C[C@@H]1c1ccccc1 ZINC000340266316 392967447 /nfs/dbraw/zinc/96/74/47/392967447.db2.gz XEMLEACVUHYIIT-YESZJQIVSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C[C@@H]1c1ccccc1 ZINC000340266316 392967455 /nfs/dbraw/zinc/96/74/55/392967455.db2.gz XEMLEACVUHYIIT-YESZJQIVSA-N 2 1 290.476 3.307 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1nccn1C ZINC000341758509 392992659 /nfs/dbraw/zinc/99/26/59/392992659.db2.gz QFZCMCNWCVKSBV-CVEARBPZSA-N 2 1 292.471 3.115 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](CC)C2)C1 ZINC000648452034 393023457 /nfs/dbraw/zinc/02/34/57/393023457.db2.gz BQDPPAHLDZZQNI-IKGGRYGDSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](CC)C2)C1 ZINC000648452034 393023464 /nfs/dbraw/zinc/02/34/64/393023464.db2.gz BQDPPAHLDZZQNI-IKGGRYGDSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000414060783 393037580 /nfs/dbraw/zinc/03/75/80/393037580.db2.gz JZFPIISYWCEOIF-CWRNSKLLSA-N 2 1 294.483 3.043 20 0 CGADMP CC(C)c1ccc(CC[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000414727849 393052809 /nfs/dbraw/zinc/05/28/09/393052809.db2.gz BFUKGNLYKGFLSX-SFHVURJKSA-N 2 1 274.452 3.426 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[NH2+]1 ZINC000414961422 393067810 /nfs/dbraw/zinc/06/78/10/393067810.db2.gz ZBGXVHQTKGOBJK-GHMZBOCLSA-N 2 1 293.461 3.102 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414963080 393068899 /nfs/dbraw/zinc/06/88/99/393068899.db2.gz CONRLPWSAPYWRW-CYBMUJFWSA-N 2 1 287.234 3.471 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052615 393115587 /nfs/dbraw/zinc/11/55/87/393115587.db2.gz IKLAEXLYPVIERX-MLGOLLRUSA-N 2 1 280.843 3.319 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415057008 393117872 /nfs/dbraw/zinc/11/78/72/393117872.db2.gz RRVQDSYAYIROLP-FZKQIMNGSA-N 2 1 286.419 3.412 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057503 393118965 /nfs/dbraw/zinc/11/89/65/393118965.db2.gz UPPWAJRJPIPEAY-WMLDXEAASA-N 2 1 284.403 3.397 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415061527 393121806 /nfs/dbraw/zinc/12/18/06/393121806.db2.gz CVVJEOZGMUNUGA-WMLDXEAASA-N 2 1 260.425 3.033 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415059752 393122074 /nfs/dbraw/zinc/12/20/74/393122074.db2.gz YUNNGKKAEGSYKZ-HNNXBMFYSA-N 2 1 260.381 3.204 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CCCC1 ZINC000415065573 393123838 /nfs/dbraw/zinc/12/38/38/393123838.db2.gz NBOIZIVZVDZPTO-AWEZNQCLSA-N 2 1 270.779 3.086 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000355205873 393257745 /nfs/dbraw/zinc/25/77/45/393257745.db2.gz KTCUSYZOLFTIDE-XWSJACJDSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000355205873 393257754 /nfs/dbraw/zinc/25/77/54/393257754.db2.gz KTCUSYZOLFTIDE-XWSJACJDSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000355205873 393257768 /nfs/dbraw/zinc/25/77/68/393257768.db2.gz KTCUSYZOLFTIDE-XWSJACJDSA-N 2 1 284.447 3.206 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@H](C)C1 ZINC000470256905 393235447 /nfs/dbraw/zinc/23/54/47/393235447.db2.gz INAQTIPNIUTHNM-NVXWUHKLSA-N 2 1 290.451 3.164 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268856558 393206987 /nfs/dbraw/zinc/20/69/87/393206987.db2.gz IKKMFYXLNXLYJG-WTTBNOFXSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268856558 393206994 /nfs/dbraw/zinc/20/69/94/393206994.db2.gz IKKMFYXLNXLYJG-WTTBNOFXSA-N 2 1 258.409 3.038 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000469725590 393210372 /nfs/dbraw/zinc/21/03/72/393210372.db2.gz PEJJJJJWMKDUIO-LJQANCHMSA-N 2 1 286.463 3.413 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000475362169 393396236 /nfs/dbraw/zinc/39/62/36/393396236.db2.gz UBWHKNZHLHKZAV-OWCLPIDISA-N 2 1 262.441 3.499 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000474628447 393340940 /nfs/dbraw/zinc/34/09/40/393340940.db2.gz STRLWOAIWAKPPM-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000474628447 393340942 /nfs/dbraw/zinc/34/09/42/393340942.db2.gz STRLWOAIWAKPPM-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000417949498 393357511 /nfs/dbraw/zinc/35/75/11/393357511.db2.gz KLIOUWLSIVMCKC-CJNGLKHVSA-N 2 1 299.418 3.399 20 0 CGADMP Fc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000356167061 393366172 /nfs/dbraw/zinc/36/61/72/393366172.db2.gz OTAKJAQBZFZGBA-UHFFFAOYSA-N 2 1 296.817 3.238 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483500238 393443088 /nfs/dbraw/zinc/44/30/88/393443088.db2.gz GVUFJHJPISTSNX-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483500238 393443092 /nfs/dbraw/zinc/44/30/92/393443092.db2.gz GVUFJHJPISTSNX-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483500238 393443095 /nfs/dbraw/zinc/44/30/95/393443095.db2.gz GVUFJHJPISTSNX-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP [NH3+][C@@H]1CCC[C@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000420279033 393448538 /nfs/dbraw/zinc/44/85/38/393448538.db2.gz JNBBGCIVIPAFSO-WCQYABFASA-N 2 1 289.810 3.240 20 0 CGADMP Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c2ccccc2[nH+]1 ZINC000487045677 393448871 /nfs/dbraw/zinc/44/88/71/393448871.db2.gz LVJKOFYSDKJANI-GOSISDBHSA-N 2 1 283.419 3.320 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420288499 393449692 /nfs/dbraw/zinc/44/96/92/393449692.db2.gz IYBORDFEYURFCZ-QEORTHHSSA-N 2 1 276.399 3.262 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420298660 393453406 /nfs/dbraw/zinc/45/34/06/393453406.db2.gz FNLSPNZSKKKARA-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420298296 393453620 /nfs/dbraw/zinc/45/36/20/393453620.db2.gz DWQVSMFEAOXUPP-ZBFHGGJFSA-N 2 1 292.854 3.347 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420301725 393455278 /nfs/dbraw/zinc/45/52/78/393455278.db2.gz IXIKMPUPNVFCNQ-WMLDXEAASA-N 2 1 276.399 3.352 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1C ZINC000420300541 393456254 /nfs/dbraw/zinc/45/62/54/393456254.db2.gz HZILWBQRRREVOX-MRXNPFEDSA-N 2 1 260.425 3.207 20 0 CGADMP CCC[N@H+](CCc1cccc(F)c1)CC[C@H]1CC[NH2+]C1 ZINC000420305308 393457627 /nfs/dbraw/zinc/45/76/27/393457627.db2.gz PIKHMDZHGHRDOD-MRXNPFEDSA-N 2 1 278.415 3.080 20 0 CGADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420307597 393459751 /nfs/dbraw/zinc/45/97/51/393459751.db2.gz RMZDFDISBOVCRD-IAGOWNOFSA-N 2 1 290.451 3.392 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)s1 ZINC000420308994 393459815 /nfs/dbraw/zinc/45/98/15/393459815.db2.gz SSOUUGURHNGRPT-UONOGXRCSA-N 2 1 264.438 3.193 20 0 CGADMP COCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000420318792 393463233 /nfs/dbraw/zinc/46/32/33/393463233.db2.gz OXCAFZJMRZDDAQ-IRXDYDNUSA-N 2 1 290.451 3.086 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319849 393465412 /nfs/dbraw/zinc/46/54/12/393465412.db2.gz APOVARYJEZVPAO-FVQBIDKESA-N 2 1 276.399 3.208 20 0 CGADMP CCc1ccccc1C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420320845 393466400 /nfs/dbraw/zinc/46/64/00/393466400.db2.gz ZHSJUKZQIUDSKP-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP [NH3+]CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000420391833 393483289 /nfs/dbraw/zinc/48/32/89/393483289.db2.gz BCNLMVOSYCPLNS-AWEZNQCLSA-N 2 1 252.789 3.120 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)CC2 ZINC000420337207 393469463 /nfs/dbraw/zinc/46/94/63/393469463.db2.gz WNWORLBETNVWON-RLFYNMQTSA-N 2 1 288.410 3.135 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328913 393469613 /nfs/dbraw/zinc/46/96/13/393469613.db2.gz NLIRBTNHNXRGSJ-QLFBSQMISA-N 2 1 276.399 3.208 20 0 CGADMP COC1(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429525050 393473638 /nfs/dbraw/zinc/47/36/38/393473638.db2.gz ZMJKROLQDSYZIX-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CCC1 ZINC000429520221 393473945 /nfs/dbraw/zinc/47/39/45/393473945.db2.gz LKMWYEBRQVTSBP-NVXWUHKLSA-N 2 1 296.499 3.434 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCc1ccccc1)C1CCCCC1 ZINC000420363914 393474314 /nfs/dbraw/zinc/47/43/14/393474314.db2.gz QBDDLQFMSHHGET-QGZVFWFLSA-N 2 1 260.425 3.116 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c2ccccc2n1 ZINC000420366269 393476285 /nfs/dbraw/zinc/47/62/85/393476285.db2.gz LZUACFALTHDUQR-RVZJWNSFSA-N 2 1 283.419 3.019 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420379265 393477680 /nfs/dbraw/zinc/47/76/80/393477680.db2.gz UYHXVAWVBSVXDI-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H](C)[NH3+])C(C)C ZINC000420412723 393486433 /nfs/dbraw/zinc/48/64/33/393486433.db2.gz SORKUAVFRYLURB-IAQYHMDHSA-N 2 1 260.381 3.375 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CS1 ZINC000488452840 393520766 /nfs/dbraw/zinc/52/07/66/393520766.db2.gz YNKFMEKTGQMAOM-XHSDSOJGSA-N 2 1 284.513 3.227 20 0 CGADMP CC[NH+](CC)CCSCC[N@@H+](C)Cc1ccccc1 ZINC000430092657 393521075 /nfs/dbraw/zinc/52/10/75/393521075.db2.gz AWBZZCQNVVBUCD-UHFFFAOYSA-N 2 1 280.481 3.193 20 0 CGADMP CC1CCC(C)(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000359033247 393533820 /nfs/dbraw/zinc/53/38/20/393533820.db2.gz HMYCQOJHYBKJEX-PYBGIAKNSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900978 393538286 /nfs/dbraw/zinc/53/82/86/393538286.db2.gz KFQLVSGXONFCJB-MRXNPFEDSA-N 2 1 290.451 3.139 20 0 CGADMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900978 393538290 /nfs/dbraw/zinc/53/82/90/393538290.db2.gz KFQLVSGXONFCJB-MRXNPFEDSA-N 2 1 290.451 3.139 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCS[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000666640947 542805234 /nfs/dbraw/zinc/80/52/34/542805234.db2.gz IGDZWUQUVYVMGU-HLLBOEOZSA-N 2 1 290.476 3.165 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430560834 393574063 /nfs/dbraw/zinc/57/40/63/393574063.db2.gz XNSPAKDMGIMAQS-STQMWFEESA-N 2 1 298.883 3.491 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430552809 393575306 /nfs/dbraw/zinc/57/53/06/393575306.db2.gz BUUUHIYTDBQACH-CVEARBPZSA-N 2 1 292.492 3.455 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000360713138 393576129 /nfs/dbraw/zinc/57/61/29/393576129.db2.gz NSGDWGMULLIOOO-UHFFFAOYSA-N 2 1 287.382 3.257 20 0 CGADMP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666770271 542814312 /nfs/dbraw/zinc/81/43/12/542814312.db2.gz QZUROYQXQVIMII-IKGGRYGDSA-N 2 1 276.399 3.194 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC3 ZINC000666769669 542814565 /nfs/dbraw/zinc/81/45/65/542814565.db2.gz AJJGADKMCNOIJT-HUUCEWRRSA-N 2 1 297.446 3.065 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770339 542814957 /nfs/dbraw/zinc/81/49/57/542814957.db2.gz VKSJRYJTYMYLCQ-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360838258 393595854 /nfs/dbraw/zinc/59/58/54/393595854.db2.gz TYZXJGCKQYTBTO-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccccc2)C1 ZINC000433079240 393682336 /nfs/dbraw/zinc/68/23/36/393682336.db2.gz YUPOBIWXRWWJQM-QZTJIDSGSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433079240 393682339 /nfs/dbraw/zinc/68/23/39/393682339.db2.gz YUPOBIWXRWWJQM-QZTJIDSGSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433079240 393682341 /nfs/dbraw/zinc/68/23/41/393682341.db2.gz YUPOBIWXRWWJQM-QZTJIDSGSA-N 2 1 272.436 3.350 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422966612 393647760 /nfs/dbraw/zinc/64/77/60/393647760.db2.gz NWBMFSNRMXORJB-KNTRFNDTSA-N 2 1 294.442 3.481 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423261614 393655582 /nfs/dbraw/zinc/65/55/82/393655582.db2.gz KGTNWKOOMGMFCS-QWHCGFSZSA-N 2 1 284.394 3.249 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CCCC2)o1 ZINC000423264159 393657025 /nfs/dbraw/zinc/65/70/25/393657025.db2.gz BPCOJSIYXIXOHD-HOCLYGCPSA-N 2 1 264.413 3.392 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C2CCC2)o1 ZINC000423324901 393661135 /nfs/dbraw/zinc/66/11/35/393661135.db2.gz BMDQWHNWHYDHEN-IRXDYDNUSA-N 2 1 276.424 3.409 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1([NH3+])CCC1)CCS2 ZINC000423325132 393661681 /nfs/dbraw/zinc/66/16/81/393661681.db2.gz KWVVBIWOTJDGRV-AWEZNQCLSA-N 2 1 276.449 3.311 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccccc21 ZINC000423339162 393662284 /nfs/dbraw/zinc/66/22/84/393662284.db2.gz ZGSDDXYDYGRHJO-YESZJQIVSA-N 2 1 258.409 3.198 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)c(F)c1 ZINC000423327339 393662424 /nfs/dbraw/zinc/66/24/24/393662424.db2.gz MWKOZCAITRYMLL-CQSZACIVSA-N 2 1 268.351 3.133 20 0 CGADMP Cc1[nH+]c2ccccc2c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000443434969 393757046 /nfs/dbraw/zinc/75/70/46/393757046.db2.gz FPZMMNDKXWIZFC-CVEARBPZSA-N 2 1 295.430 3.312 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC(C)(C)C2)C1 ZINC000433172524 393692727 /nfs/dbraw/zinc/69/27/27/393692727.db2.gz CTBVLIZCOSWNRA-CYBMUJFWSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC(C)(C)C2)C1 ZINC000433172524 393692729 /nfs/dbraw/zinc/69/27/29/393692729.db2.gz CTBVLIZCOSWNRA-CYBMUJFWSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000443640459 393768830 /nfs/dbraw/zinc/76/88/30/393768830.db2.gz NFFQUIBEWRROMP-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@H](C)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000443640459 393768832 /nfs/dbraw/zinc/76/88/32/393768832.db2.gz NFFQUIBEWRROMP-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@H](C)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000443640459 393768835 /nfs/dbraw/zinc/76/88/35/393768835.db2.gz NFFQUIBEWRROMP-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP Clc1c[nH+]ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000498784057 393785467 /nfs/dbraw/zinc/78/54/67/393785467.db2.gz HAHGPDKMCDKRFE-UHFFFAOYSA-N 2 1 293.842 3.366 20 0 CGADMP CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000501850397 393863595 /nfs/dbraw/zinc/86/35/95/393863595.db2.gz NWTVIWKACFCZQE-RYQLBKOJSA-N 2 1 272.436 3.239 20 0 CGADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000501850397 393863599 /nfs/dbraw/zinc/86/35/99/393863599.db2.gz NWTVIWKACFCZQE-RYQLBKOJSA-N 2 1 272.436 3.239 20 0 CGADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000501850397 393863600 /nfs/dbraw/zinc/86/36/00/393863600.db2.gz NWTVIWKACFCZQE-RYQLBKOJSA-N 2 1 272.436 3.239 20 0 CGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000502279277 393872242 /nfs/dbraw/zinc/87/22/42/393872242.db2.gz GLWVEANSBYQDAS-HNNXBMFYSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000502279277 393872247 /nfs/dbraw/zinc/87/22/47/393872247.db2.gz GLWVEANSBYQDAS-HNNXBMFYSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000502279277 393872252 /nfs/dbraw/zinc/87/22/52/393872252.db2.gz GLWVEANSBYQDAS-HNNXBMFYSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000502279277 393872255 /nfs/dbraw/zinc/87/22/55/393872255.db2.gz GLWVEANSBYQDAS-HNNXBMFYSA-N 2 1 290.451 3.031 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000502425492 393874938 /nfs/dbraw/zinc/87/49/38/393874938.db2.gz CSMNOGVVTJWFSZ-OKZBNKHCSA-N 2 1 294.483 3.046 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000502425492 393874942 /nfs/dbraw/zinc/87/49/42/393874942.db2.gz CSMNOGVVTJWFSZ-OKZBNKHCSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502868550 393885866 /nfs/dbraw/zinc/88/58/66/393885866.db2.gz UAGZMRBMSDRIQV-NEWSRXKRSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000502868550 393885870 /nfs/dbraw/zinc/88/58/70/393885870.db2.gz UAGZMRBMSDRIQV-NEWSRXKRSA-N 2 1 286.463 3.424 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2COCC2(C)C)cc1 ZINC000449621945 393923821 /nfs/dbraw/zinc/92/38/21/393923821.db2.gz BMIDYVNTCUTIML-CXAGYDPISA-N 2 1 299.418 3.256 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000449783852 393944278 /nfs/dbraw/zinc/94/42/78/393944278.db2.gz SFTUGQFMAJJDPO-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000449783852 393944281 /nfs/dbraw/zinc/94/42/81/393944281.db2.gz SFTUGQFMAJJDPO-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000449783492 393944445 /nfs/dbraw/zinc/94/44/45/393944445.db2.gz PKXFJLYVULQVCO-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000449783492 393944448 /nfs/dbraw/zinc/94/44/48/393944448.db2.gz PKXFJLYVULQVCO-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccncn1 ZINC000453058069 394155598 /nfs/dbraw/zinc/15/55/98/394155598.db2.gz JOKXLZRRDUEZSQ-OAHLLOKOSA-N 2 1 298.434 3.168 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccncn1 ZINC000453058069 394155601 /nfs/dbraw/zinc/15/56/01/394155601.db2.gz JOKXLZRRDUEZSQ-OAHLLOKOSA-N 2 1 298.434 3.168 20 0 CGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453395335 394230373 /nfs/dbraw/zinc/23/03/73/394230373.db2.gz HTWAVCABKKLNMV-CRAIPNDOSA-N 2 1 290.451 3.227 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c(C)c1 ZINC000667587192 542894210 /nfs/dbraw/zinc/89/42/10/542894210.db2.gz JRIPCSYGMZARSG-QGZVFWFLSA-N 2 1 299.418 3.427 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1 ZINC000667597269 542895957 /nfs/dbraw/zinc/89/59/57/542895957.db2.gz HZNQAYWQPFNYAW-UHFFFAOYSA-N 2 1 290.451 3.167 20 0 CGADMP Cc1cccc2[nH]c(CN3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc21 ZINC000668172986 542980890 /nfs/dbraw/zinc/98/08/90/542980890.db2.gz YULPCONRDQVFNS-HNAYVOBHSA-N 2 1 297.446 3.392 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C(C)(C)C ZINC000670265170 543147935 /nfs/dbraw/zinc/14/79/35/543147935.db2.gz VMOIYDWSDLTOPL-GDBMZVCRSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C(C)(C)C ZINC000670265170 543147937 /nfs/dbraw/zinc/14/79/37/543147937.db2.gz VMOIYDWSDLTOPL-GDBMZVCRSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C(C)(C)C ZINC000670265170 543147940 /nfs/dbraw/zinc/14/79/40/543147940.db2.gz VMOIYDWSDLTOPL-GDBMZVCRSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)C)[NH+]1CCCC1 ZINC000671740321 543184184 /nfs/dbraw/zinc/18/41/84/543184184.db2.gz KGQWJNLZQBUSAB-XHSDSOJGSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915973 397609003 /nfs/dbraw/zinc/60/90/03/397609003.db2.gz NGRWWDAGRRYKBT-KEYYUXOJSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915973 397609005 /nfs/dbraw/zinc/60/90/05/397609005.db2.gz NGRWWDAGRRYKBT-KEYYUXOJSA-N 2 1 276.399 3.351 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916552 397609878 /nfs/dbraw/zinc/60/98/78/397609878.db2.gz AJVKBISMWNKRRL-WBVHZDCISA-N 2 1 290.476 3.373 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916552 397609879 /nfs/dbraw/zinc/60/98/79/397609879.db2.gz AJVKBISMWNKRRL-WBVHZDCISA-N 2 1 290.476 3.373 20 0 CGADMP CC[NH+](CC)CCCNc1[nH+]ccc2ccccc21 ZINC000100681637 397643564 /nfs/dbraw/zinc/64/35/64/397643564.db2.gz OLPUHDQPTAXSNE-UHFFFAOYSA-N 2 1 257.381 3.379 20 0 CGADMP C[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)C1CCCCC1 ZINC000392267800 397693107 /nfs/dbraw/zinc/69/31/07/397693107.db2.gz IVKMPFMDUNSXNH-CQSZACIVSA-N 2 1 250.430 3.054 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000421323257 397701808 /nfs/dbraw/zinc/70/18/08/397701808.db2.gz FXPSDRHABQJRNM-UHFFFAOYSA-N 2 1 269.392 3.249 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421323552 397701994 /nfs/dbraw/zinc/70/19/94/397701994.db2.gz IIWOEUMRWWORTL-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC000674334427 543281132 /nfs/dbraw/zinc/28/11/32/543281132.db2.gz JWTGVRDBPFJPEP-AWEZNQCLSA-N 2 1 283.419 3.495 20 0 CGADMP CC[N@@H+](CCCNCC[NH2+]C(C)(C)C)C1CCCCC1 ZINC000650710376 397898372 /nfs/dbraw/zinc/89/83/72/397898372.db2.gz OFSKYUMMGOHAFL-UHFFFAOYSA-N 2 1 283.504 3.009 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC[NH2+]1 ZINC000650708957 397898433 /nfs/dbraw/zinc/89/84/33/397898433.db2.gz WOVNQWBWFQHNQM-VKJFTORMSA-N 2 1 290.426 3.177 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)[C@@H]1CC[NH3+] ZINC000650711244 397899018 /nfs/dbraw/zinc/89/90/18/397899018.db2.gz MVKYHBMYHIFKMA-KBXCAEBGSA-N 2 1 298.434 3.026 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCCC1 ZINC000421840009 292146682 /nfs/dbraw/zinc/14/66/82/292146682.db2.gz ZHZXUPIBFJLKAB-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP CC1(C)CCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882646 543369957 /nfs/dbraw/zinc/36/99/57/543369957.db2.gz TZZVOAAEOFGGHO-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000676412585 543396483 /nfs/dbraw/zinc/39/64/83/543396483.db2.gz QYRJZZYZKNLIIL-UHFFFAOYSA-N 2 1 298.430 3.259 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677239958 543440567 /nfs/dbraw/zinc/44/05/67/543440567.db2.gz ANRJAXNMGSKHBP-NXHRZFHOSA-N 2 1 272.436 3.315 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000677818857 543467803 /nfs/dbraw/zinc/46/78/03/543467803.db2.gz JWMFZTRAPUZEIF-KRWDZBQOSA-N 2 1 285.391 3.124 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000677818857 543467805 /nfs/dbraw/zinc/46/78/05/543467805.db2.gz JWMFZTRAPUZEIF-KRWDZBQOSA-N 2 1 285.391 3.124 20 0 CGADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000678075238 543481547 /nfs/dbraw/zinc/48/15/47/543481547.db2.gz ZSAPZRAZVDFRGR-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000678075238 543481552 /nfs/dbraw/zinc/48/15/52/543481552.db2.gz ZSAPZRAZVDFRGR-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000678075238 543481555 /nfs/dbraw/zinc/48/15/55/543481555.db2.gz ZSAPZRAZVDFRGR-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000678222751 543495817 /nfs/dbraw/zinc/49/58/17/543495817.db2.gz UPHJOBMVGATKIT-CVEARBPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678283808 543511483 /nfs/dbraw/zinc/51/14/83/543511483.db2.gz RQFBHAMSOYACLP-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678283808 543511485 /nfs/dbraw/zinc/51/14/85/543511485.db2.gz RQFBHAMSOYACLP-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678283808 543511487 /nfs/dbraw/zinc/51/14/87/543511487.db2.gz RQFBHAMSOYACLP-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678283808 543511489 /nfs/dbraw/zinc/51/14/89/543511489.db2.gz RQFBHAMSOYACLP-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678271127 543506889 /nfs/dbraw/zinc/50/68/89/543506889.db2.gz OREGHIHWWPMZKS-DOTOQJQBSA-N 2 1 290.451 3.247 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000678596655 543540237 /nfs/dbraw/zinc/54/02/37/543540237.db2.gz IDKJEARGRCVROJ-IKLKHMQRSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000678766266 543554179 /nfs/dbraw/zinc/55/41/79/543554179.db2.gz NKRSWEAAGGKLRU-VCBZYWHSSA-N 2 1 284.447 3.384 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCC1 ZINC000246826577 287022485 /nfs/dbraw/zinc/02/24/85/287022485.db2.gz BKAROPLILZATLU-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461044 165146643 /nfs/dbraw/zinc/14/66/43/165146643.db2.gz AWHXLLDYEJNJDU-NVXWUHKLSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461044 165146646 /nfs/dbraw/zinc/14/66/46/165146646.db2.gz AWHXLLDYEJNJDU-NVXWUHKLSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461044 165146648 /nfs/dbraw/zinc/14/66/48/165146648.db2.gz AWHXLLDYEJNJDU-NVXWUHKLSA-N 2 1 260.425 3.157 20 0 CGADMP [NH3+]C[C@@H]1CCC[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000089106123 165200236 /nfs/dbraw/zinc/20/02/36/165200236.db2.gz JOHJGUMAMNWNGH-GXFFZTMASA-N 2 1 275.783 3.428 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089428376 165204803 /nfs/dbraw/zinc/20/48/03/165204803.db2.gz NDJOTPNDDJRAAC-HFTRVMKXSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000089428376 165204805 /nfs/dbraw/zinc/20/48/05/165204805.db2.gz NDJOTPNDDJRAAC-HFTRVMKXSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000089428376 165204807 /nfs/dbraw/zinc/20/48/07/165204807.db2.gz NDJOTPNDDJRAAC-HFTRVMKXSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749425 165213263 /nfs/dbraw/zinc/21/32/63/165213263.db2.gz YTLUTYCXDHVQFJ-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000090585321 165239875 /nfs/dbraw/zinc/23/98/75/165239875.db2.gz QARLOJFCQCSYDR-GJZGRUSLSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000090585321 165239876 /nfs/dbraw/zinc/23/98/76/165239876.db2.gz QARLOJFCQCSYDR-GJZGRUSLSA-N 2 1 293.430 3.239 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1F ZINC000093496104 165329943 /nfs/dbraw/zinc/32/99/43/165329943.db2.gz OMFVABVGTURHQT-DZGCQCFKSA-N 2 1 264.388 3.226 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683494 165336596 /nfs/dbraw/zinc/33/65/96/165336596.db2.gz ANTWGBGSBQWTMY-HNNXBMFYSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683494 165336600 /nfs/dbraw/zinc/33/66/00/165336600.db2.gz ANTWGBGSBQWTMY-HNNXBMFYSA-N 2 1 278.465 3.364 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873053 165340536 /nfs/dbraw/zinc/34/05/36/165340536.db2.gz YGYCEMWJGHPFOI-SNVBAGLBSA-N 2 1 272.795 3.457 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000094011522 165344063 /nfs/dbraw/zinc/34/40/63/165344063.db2.gz BOWGDRHYIIYQAH-KRWDZBQOSA-N 2 1 260.425 3.459 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522161 165352028 /nfs/dbraw/zinc/35/20/28/165352028.db2.gz OMJYIKSLDIKNNW-SUMWQHHRSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000094522092 165352044 /nfs/dbraw/zinc/35/20/44/165352044.db2.gz RUQIJDSKUKPNFR-CXAGYDPISA-N 2 1 258.409 3.266 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094522092 165352045 /nfs/dbraw/zinc/35/20/45/165352045.db2.gz RUQIJDSKUKPNFR-CXAGYDPISA-N 2 1 258.409 3.266 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cscc2C)CC1 ZINC000094877721 165395813 /nfs/dbraw/zinc/39/58/13/165395813.db2.gz DZLRPUQYDOSAJD-UHFFFAOYSA-N 2 1 252.427 3.021 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093693526 287118804 /nfs/dbraw/zinc/11/88/04/287118804.db2.gz LBKANYSLKXYOBF-GOSISDBHSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccoc1 ZINC000094867456 287122695 /nfs/dbraw/zinc/12/26/95/287122695.db2.gz SEXHFNKKNPTNES-KGLIPLIRSA-N 2 1 250.386 3.195 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccoc1 ZINC000094867456 287122698 /nfs/dbraw/zinc/12/26/98/287122698.db2.gz SEXHFNKKNPTNES-KGLIPLIRSA-N 2 1 250.386 3.195 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000254968782 165809806 /nfs/dbraw/zinc/80/98/06/165809806.db2.gz NERBCXKZYAIKRN-VQTKUKTRSA-N 2 1 287.382 3.270 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261772250 165834052 /nfs/dbraw/zinc/83/40/52/165834052.db2.gz DUNODVAJJNPOIX-QAPCUYQASA-N 2 1 272.436 3.254 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000119240513 287167111 /nfs/dbraw/zinc/16/71/11/287167111.db2.gz YAHMURIYJUZRTR-YQQAZPJKSA-N 2 1 290.451 3.212 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000119240513 287167113 /nfs/dbraw/zinc/16/71/13/287167113.db2.gz YAHMURIYJUZRTR-YQQAZPJKSA-N 2 1 290.451 3.212 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123384699 287219284 /nfs/dbraw/zinc/21/92/84/287219284.db2.gz NHZWASWRXJUWEF-UHFFFAOYSA-N 2 1 280.378 3.429 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123384699 287219285 /nfs/dbraw/zinc/21/92/85/287219285.db2.gz NHZWASWRXJUWEF-UHFFFAOYSA-N 2 1 280.378 3.429 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000020124169 171006621 /nfs/dbraw/zinc/00/66/21/171006621.db2.gz DORYKJLHENGSNO-NSHDSACASA-N 2 1 252.789 3.085 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000020130717 171019678 /nfs/dbraw/zinc/01/96/78/171019678.db2.gz ZKJIBHVQSIEUAA-UHFFFAOYSA-N 2 1 284.447 3.429 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2cccc(F)c2)CC1 ZINC000020146223 171032652 /nfs/dbraw/zinc/03/26/52/171032652.db2.gz BWTNTNWPWBVPRZ-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(c2ccco2)C1 ZINC000285304453 196246986 /nfs/dbraw/zinc/24/69/86/196246986.db2.gz LMAURYRJXJUHQC-MRXNPFEDSA-N 2 1 274.408 3.243 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(c2ccco2)C1 ZINC000285304453 196246988 /nfs/dbraw/zinc/24/69/88/196246988.db2.gz LMAURYRJXJUHQC-MRXNPFEDSA-N 2 1 274.408 3.243 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285304453 196246989 /nfs/dbraw/zinc/24/69/89/196246989.db2.gz LMAURYRJXJUHQC-MRXNPFEDSA-N 2 1 274.408 3.243 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC=C(c2ccco2)C1 ZINC000285304453 196246991 /nfs/dbraw/zinc/24/69/91/196246991.db2.gz LMAURYRJXJUHQC-MRXNPFEDSA-N 2 1 274.408 3.243 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285597218 196338503 /nfs/dbraw/zinc/33/85/03/196338503.db2.gz UYUWBVOJMONFQI-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285597218 196338504 /nfs/dbraw/zinc/33/85/04/196338504.db2.gz UYUWBVOJMONFQI-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285597218 196338506 /nfs/dbraw/zinc/33/85/06/196338506.db2.gz UYUWBVOJMONFQI-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000037267132 173076973 /nfs/dbraw/zinc/07/69/73/173076973.db2.gz PCURUXDEIWMAQW-OAHLLOKOSA-N 2 1 266.816 3.475 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)ccc2[nH]1 ZINC000285720256 196377445 /nfs/dbraw/zinc/37/74/45/196377445.db2.gz QCCYRWVXYOEZGI-RVZJWNSFSA-N 2 1 285.435 3.295 20 0 CGADMP c1ccc(C2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000043325728 175007561 /nfs/dbraw/zinc/00/75/61/175007561.db2.gz UEYWDMSGSQPTCN-OFLPRAFFSA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043388588 175033099 /nfs/dbraw/zinc/03/30/99/175033099.db2.gz FLMFCDPPFBJVDD-UHFFFAOYSA-N 2 1 284.806 3.442 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cncs1 ZINC000128529788 287313253 /nfs/dbraw/zinc/31/32/53/287313253.db2.gz WGOCXEWJUNDFOZ-JTQLQIEISA-N 2 1 267.442 3.103 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000129270273 287328096 /nfs/dbraw/zinc/32/80/96/287328096.db2.gz QDRFCZABNHHJJZ-UHFFFAOYSA-N 2 1 298.390 3.245 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1nc2ccccc2o1 ZINC000129270273 287328098 /nfs/dbraw/zinc/32/80/98/287328098.db2.gz QDRFCZABNHHJJZ-UHFFFAOYSA-N 2 1 298.390 3.245 20 0 CGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C1CCCCC1 ZINC000050952407 416478113 /nfs/dbraw/zinc/47/81/13/416478113.db2.gz SWGGATOXPYKQJW-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000314675224 416537479 /nfs/dbraw/zinc/53/74/79/416537479.db2.gz GVPYTZIIRWEWQS-MSOLQXFVSA-N 2 1 295.430 3.199 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404343486 416551411 /nfs/dbraw/zinc/55/14/11/416551411.db2.gz GAFHRGNKGSFILH-CZUORRHYSA-N 2 1 278.465 3.358 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2sccc2Cl)[C@H]1CC[NH3+] ZINC000404306965 416552759 /nfs/dbraw/zinc/55/27/59/416552759.db2.gz SOJRCUXHVDYFBI-JQWIXIFHSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2sccc2Cl)[C@H]1CC[NH3+] ZINC000404306965 416552762 /nfs/dbraw/zinc/55/27/62/416552762.db2.gz SOJRCUXHVDYFBI-JQWIXIFHSA-N 2 1 272.845 3.351 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000134096334 416516973 /nfs/dbraw/zinc/51/69/73/416516973.db2.gz SDGLHKBUJIHJHU-WBVHZDCISA-N 2 1 260.425 3.369 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000129789724 287339185 /nfs/dbraw/zinc/33/91/85/287339185.db2.gz RNITVEMUFAVDHQ-GFCCVEGCSA-N 2 1 278.465 3.372 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1ccccc1C ZINC000130358812 287353273 /nfs/dbraw/zinc/35/32/73/287353273.db2.gz ROORZQJRVDMBBI-UHFFFAOYSA-N 2 1 285.435 3.455 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1ccccc1C ZINC000130358812 287353275 /nfs/dbraw/zinc/35/32/75/287353275.db2.gz ROORZQJRVDMBBI-UHFFFAOYSA-N 2 1 285.435 3.455 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071773 543819391 /nfs/dbraw/zinc/81/93/91/543819391.db2.gz IZQSCRBYZWVIGI-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071773 543819395 /nfs/dbraw/zinc/81/93/95/543819395.db2.gz IZQSCRBYZWVIGI-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071773 543819398 /nfs/dbraw/zinc/81/93/98/543819398.db2.gz IZQSCRBYZWVIGI-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071773 543819401 /nfs/dbraw/zinc/81/94/01/543819401.db2.gz IZQSCRBYZWVIGI-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000131572113 287383958 /nfs/dbraw/zinc/38/39/58/287383958.db2.gz GAOKENWZEMTKHB-VYDXJSESSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000131572484 287384009 /nfs/dbraw/zinc/38/40/09/287384009.db2.gz GAOKENWZEMTKHB-HLLBOEOZSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3cnccc3c2)CCN1C ZINC000683831404 543946151 /nfs/dbraw/zinc/94/61/51/543946151.db2.gz WEIRSKFYQVOKRQ-RDTXWAMCSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3cnccc3c2)CC[N@@H+]1C ZINC000683831404 543946153 /nfs/dbraw/zinc/94/61/53/543946153.db2.gz WEIRSKFYQVOKRQ-RDTXWAMCSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3cnccc3c2)CC[N@H+]1C ZINC000683831404 543946155 /nfs/dbraw/zinc/94/61/55/543946155.db2.gz WEIRSKFYQVOKRQ-RDTXWAMCSA-N 2 1 283.419 3.149 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683831383 543946292 /nfs/dbraw/zinc/94/62/92/543946292.db2.gz VFKGADDKHCOYMI-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3cnccc3c2)CCN1C ZINC000683831402 543946451 /nfs/dbraw/zinc/94/64/51/543946451.db2.gz WEIRSKFYQVOKRQ-KDOFPFPSSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3cnccc3c2)CC[N@@H+]1C ZINC000683831402 543946453 /nfs/dbraw/zinc/94/64/53/543946453.db2.gz WEIRSKFYQVOKRQ-KDOFPFPSSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3cnccc3c2)CC[N@H+]1C ZINC000683831402 543946454 /nfs/dbraw/zinc/94/64/54/543946454.db2.gz WEIRSKFYQVOKRQ-KDOFPFPSSA-N 2 1 283.419 3.149 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000684369200 543987086 /nfs/dbraw/zinc/98/70/86/543987086.db2.gz JWCQSHHBOPJVGX-KZNAEPCWSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C\c1ccc(F)cc1 ZINC000685470294 544076553 /nfs/dbraw/zinc/07/65/53/544076553.db2.gz FENYCGOTPVOWGC-AYUWKEHRSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C\c1ccc(F)cc1 ZINC000685470294 544076555 /nfs/dbraw/zinc/07/65/55/544076555.db2.gz FENYCGOTPVOWGC-AYUWKEHRSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000685470294 544076558 /nfs/dbraw/zinc/07/65/58/544076558.db2.gz FENYCGOTPVOWGC-AYUWKEHRSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000685470294 544076560 /nfs/dbraw/zinc/07/65/60/544076560.db2.gz FENYCGOTPVOWGC-AYUWKEHRSA-N 2 1 276.399 3.111 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221667 418937622 /nfs/dbraw/zinc/93/76/22/418937622.db2.gz YTCGCFWFCFQQKC-QGZVFWFLSA-N 2 1 290.451 3.250 20 0 CGADMP COc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1C ZINC000658352315 418946913 /nfs/dbraw/zinc/94/69/13/418946913.db2.gz HXBYXHATLPGUTG-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000652358613 418955727 /nfs/dbraw/zinc/95/57/27/418955727.db2.gz XDIQXGXIEIMYQY-HNNXBMFYSA-N 2 1 286.419 3.481 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC000652352232 418956562 /nfs/dbraw/zinc/95/65/62/418956562.db2.gz VOWPQVPLDAWKQJ-HOTGVXAUSA-N 2 1 250.430 3.018 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@H](N2CCCC2)C1)C1CC1 ZINC000653497655 419038506 /nfs/dbraw/zinc/03/85/06/419038506.db2.gz PUNNKTWYJZUPGB-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)(CCN1CCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000653497655 419038509 /nfs/dbraw/zinc/03/85/09/419038509.db2.gz PUNNKTWYJZUPGB-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)=CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659945207 419041187 /nfs/dbraw/zinc/04/11/87/419041187.db2.gz TYLTWXPWRZPUTD-MRXNPFEDSA-N 2 1 250.430 3.293 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CC1([NH3+])CCCC1)CCCO2 ZINC000665247481 419089798 /nfs/dbraw/zinc/08/97/98/419089798.db2.gz COPVCUDSKVKFBD-MRXNPFEDSA-N 2 1 288.435 3.378 20 0 CGADMP CCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250203 419093022 /nfs/dbraw/zinc/09/30/22/419093022.db2.gz KITJJTTVNUABCT-DJIMGWMZSA-N 2 1 260.425 3.300 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250471 419093127 /nfs/dbraw/zinc/09/31/27/419093127.db2.gz RZCVNNNOKPKEPA-YALNPMBYSA-N 2 1 260.425 3.156 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1C[C@@H]1C ZINC000665252615 419093820 /nfs/dbraw/zinc/09/38/20/419093820.db2.gz UPTBDILKNYVUOU-SRVCANOKSA-N 2 1 272.436 3.156 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253165 419093978 /nfs/dbraw/zinc/09/39/78/419093978.db2.gz IPWSDQHIHIGMJU-IAOVAPTHSA-N 2 1 278.415 3.295 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccs1 ZINC000665278039 419100104 /nfs/dbraw/zinc/10/01/04/419100104.db2.gz TXQDUXZGUSMVDZ-JVWICGRDSA-N 2 1 264.438 3.177 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665283738 419104695 /nfs/dbraw/zinc/10/46/95/419104695.db2.gz UBGIPOQRSIYYNS-XKQJLSEDSA-N 2 1 258.409 3.103 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CCC2)[C@H](C)C1 ZINC000660083606 419072478 /nfs/dbraw/zinc/07/24/78/419072478.db2.gz VEMJKOKWKDUQQP-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2CCC2)[C@H](C)C1 ZINC000660083606 419072481 /nfs/dbraw/zinc/07/24/81/419072481.db2.gz VEMJKOKWKDUQQP-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2CCC2)[C@H](C)C1 ZINC000660083606 419072485 /nfs/dbraw/zinc/07/24/85/419072485.db2.gz VEMJKOKWKDUQQP-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655722716 419077331 /nfs/dbraw/zinc/07/73/31/419077331.db2.gz GHWQIEAYEXBEDH-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCC(C)(C)C1CC1)CC[NH2+]CC2 ZINC000655940345 419129163 /nfs/dbraw/zinc/12/91/63/419129163.db2.gz RVQJIBRMFGXKLT-AWEZNQCLSA-N 2 1 264.457 3.277 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC2CC2)cc1 ZINC000656403733 419168586 /nfs/dbraw/zinc/16/85/86/419168586.db2.gz UHBVJIFRXNEYPK-YRPNKDGESA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CC2)cc1 ZINC000656403733 419168588 /nfs/dbraw/zinc/16/85/88/419168588.db2.gz UHBVJIFRXNEYPK-YRPNKDGESA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CC2)cc1 ZINC000656403733 419168590 /nfs/dbraw/zinc/16/85/90/419168590.db2.gz UHBVJIFRXNEYPK-YRPNKDGESA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC2CC2)cc1 ZINC000656403729 419168948 /nfs/dbraw/zinc/16/89/48/419168948.db2.gz UHBVJIFRXNEYPK-NMLBUPMWSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CC2)cc1 ZINC000656403729 419168952 /nfs/dbraw/zinc/16/89/52/419168952.db2.gz UHBVJIFRXNEYPK-NMLBUPMWSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CC2)cc1 ZINC000656403729 419168955 /nfs/dbraw/zinc/16/89/55/419168955.db2.gz UHBVJIFRXNEYPK-NMLBUPMWSA-N 2 1 296.458 3.239 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000660617311 419169109 /nfs/dbraw/zinc/16/91/09/419169109.db2.gz WZALVFFLUDLFHS-MJGOQNOKSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000660617311 419169111 /nfs/dbraw/zinc/16/91/11/419169111.db2.gz WZALVFFLUDLFHS-MJGOQNOKSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000660617311 419169114 /nfs/dbraw/zinc/16/91/14/419169114.db2.gz WZALVFFLUDLFHS-MJGOQNOKSA-N 2 1 284.447 3.134 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2ccccn2)C1 ZINC000660632870 419173022 /nfs/dbraw/zinc/17/30/22/419173022.db2.gz XZNWAQHHXBFNEH-IRXDYDNUSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660632870 419173023 /nfs/dbraw/zinc/17/30/23/419173023.db2.gz XZNWAQHHXBFNEH-IRXDYDNUSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660632870 419173025 /nfs/dbraw/zinc/17/30/25/419173025.db2.gz XZNWAQHHXBFNEH-IRXDYDNUSA-N 2 1 287.451 3.135 20 0 CGADMP C[C@@H](c1nc2ccccc2o1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661081 419178004 /nfs/dbraw/zinc/17/80/04/419178004.db2.gz BPXXZGZXYVNDDF-KSSFIOAISA-N 2 1 299.418 3.307 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC[N@@H+]1C ZINC000666093987 419189976 /nfs/dbraw/zinc/18/99/76/419189976.db2.gz YQGYIRKIHMDDJO-SNPRPXQTSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC[N@H+]1C ZINC000666093987 419189979 /nfs/dbraw/zinc/18/99/79/419189979.db2.gz YQGYIRKIHMDDJO-SNPRPXQTSA-N 2 1 292.854 3.270 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000655938049 419127347 /nfs/dbraw/zinc/12/73/47/419127347.db2.gz KQJYODJPTAOJLX-ZBFHGGJFSA-N 2 1 290.451 3.378 20 0 CGADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(F)cc1Cl ZINC000657364719 419260453 /nfs/dbraw/zinc/26/04/53/419260453.db2.gz OPBAWOAQIBHWMM-SNVBAGLBSA-N 2 1 293.773 3.473 20 0 CGADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1F ZINC000661483154 419263808 /nfs/dbraw/zinc/26/38/08/419263808.db2.gz GBESZFXXKDOZFV-MRXNPFEDSA-N 2 1 275.371 3.089 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1F)C(C)C ZINC000661486870 419265846 /nfs/dbraw/zinc/26/58/46/419265846.db2.gz ZMBWBAFCYPLNSH-INIZCTEOSA-N 2 1 275.371 3.318 20 0 CGADMP CC(C)(C)CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782563 419218525 /nfs/dbraw/zinc/21/85/25/419218525.db2.gz HNXRVULFCFUSRY-HNNXBMFYSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785148 419218611 /nfs/dbraw/zinc/21/86/11/419218611.db2.gz JOYDGBSFJKRVEQ-HNNXBMFYSA-N 2 1 278.465 3.268 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786925 419219042 /nfs/dbraw/zinc/21/90/42/419219042.db2.gz XRVYCOZWLFXMAI-OAHLLOKOSA-N 2 1 278.465 3.268 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656786763 419219903 /nfs/dbraw/zinc/21/99/03/419219903.db2.gz QFMUUKYFMSYMQX-HNNXBMFYSA-N 2 1 258.409 3.125 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656785578 419220017 /nfs/dbraw/zinc/22/00/17/419220017.db2.gz MHKLHDFUPLQSPQ-OAHLLOKOSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccco2)CC1 ZINC000661162116 419236262 /nfs/dbraw/zinc/23/62/62/419236262.db2.gz HFMXUHXOJIWUAA-UHFFFAOYSA-N 2 1 273.380 3.054 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[C@H]1C ZINC000657677193 419326599 /nfs/dbraw/zinc/32/65/99/419326599.db2.gz AHPPFGBEGVZULS-HOSILWTGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1C[C@H]1C ZINC000657677193 419326602 /nfs/dbraw/zinc/32/66/02/419326602.db2.gz AHPPFGBEGVZULS-HOSILWTGSA-N 2 1 250.430 3.028 20 0 CGADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+]C1CCCCC1 ZINC000657675802 419327233 /nfs/dbraw/zinc/32/72/33/419327233.db2.gz ZZNNWFNSANANPI-HNNXBMFYSA-N 2 1 250.430 3.316 20 0 CGADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+]C1CCCCC1 ZINC000657675802 419327234 /nfs/dbraw/zinc/32/72/34/419327234.db2.gz ZZNNWFNSANANPI-HNNXBMFYSA-N 2 1 250.430 3.316 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)n1 ZINC000662317907 419389757 /nfs/dbraw/zinc/38/97/57/419389757.db2.gz VITMMSVGVTXCFI-CXAGYDPISA-N 2 1 275.440 3.038 20 0 CGADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313199 419390733 /nfs/dbraw/zinc/39/07/33/419390733.db2.gz GFZIPCMJQLCXTH-NVXWUHKLSA-N 2 1 260.425 3.334 20 0 CGADMP c1ccc(C23CC(C2)C[N@@H+]3CCC[NH+]2CCCCC2)cc1 ZINC000662331597 419393639 /nfs/dbraw/zinc/39/36/39/419393639.db2.gz OADGOBMSNRGOQP-UHFFFAOYSA-N 2 1 284.447 3.484 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000662234246 419368924 /nfs/dbraw/zinc/36/89/24/419368924.db2.gz KOEXSBLNTUPZCE-CQSZACIVSA-N 2 1 264.457 3.419 20 0 CGADMP CCC(CC)[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662251691 419374173 /nfs/dbraw/zinc/37/41/73/419374173.db2.gz DLXGXRVPMPEMHU-UHFFFAOYSA-N 2 1 272.436 3.485 20 0 CGADMP C[N@@H+](C[C@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263865 419377192 /nfs/dbraw/zinc/37/71/92/419377192.db2.gz FZLFAYUUNXZFOG-JZWPEALZSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272015 419378196 /nfs/dbraw/zinc/37/81/96/419378196.db2.gz BFUMZWQYEKILCK-RBSFLKMASA-N 2 1 288.426 3.379 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000662280130 419382272 /nfs/dbraw/zinc/38/22/72/419382272.db2.gz CTZOBAXAHPIZMF-HYVNUMGLSA-N 2 1 272.436 3.023 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000662276595 419382821 /nfs/dbraw/zinc/38/28/21/419382821.db2.gz KRTYMCXNUKAXAN-HOCLYGCPSA-N 2 1 260.425 3.070 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657842727 419383575 /nfs/dbraw/zinc/38/35/75/419383575.db2.gz WYDUJECBQFFJFX-CHWSQXEVSA-N 2 1 289.448 3.289 20 0 CGADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662282129 419384038 /nfs/dbraw/zinc/38/40/38/419384038.db2.gz SGBBGETWLNUFMI-NVXWUHKLSA-N 2 1 260.425 3.112 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000662284902 419384361 /nfs/dbraw/zinc/38/43/61/419384361.db2.gz QKSSCGNABZHAAP-GOSISDBHSA-N 2 1 272.436 3.256 20 0 CGADMP CCOC1CCC([NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000657847711 419386689 /nfs/dbraw/zinc/38/66/89/419386689.db2.gz FDEUGODHCBRJPQ-GSXDDRDBSA-N 2 1 296.499 3.290 20 0 CGADMP CCOC1CCC([NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000657847711 419386693 /nfs/dbraw/zinc/38/66/93/419386693.db2.gz FDEUGODHCBRJPQ-GSXDDRDBSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H]1CCCN(c2cc[nH+]c3ccsc32)[C@H]1CC[NH3+] ZINC000663243055 419530127 /nfs/dbraw/zinc/53/01/27/419530127.db2.gz VMVUTMHUACNGCE-AAEUAGOBSA-N 2 1 275.421 3.250 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658089582 419561156 /nfs/dbraw/zinc/56/11/56/419561156.db2.gz ZVYFLEOGGFDHKQ-ZQIUZPCESA-N 2 1 278.415 3.137 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658089582 419561159 /nfs/dbraw/zinc/56/11/59/419561159.db2.gz ZVYFLEOGGFDHKQ-ZQIUZPCESA-N 2 1 278.415 3.137 20 0 CGADMP Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345978 419565709 /nfs/dbraw/zinc/56/57/09/419565709.db2.gz DXJIXIAKBVBYHC-SFHVURJKSA-N 2 1 272.436 3.207 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000663510105 419639024 /nfs/dbraw/zinc/63/90/24/419639024.db2.gz CDSDFLAISGXQFH-WHOFXGATSA-N 2 1 266.816 3.174 20 0 CGADMP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466361 419615947 /nfs/dbraw/zinc/61/59/47/419615947.db2.gz RSQJJBPFDLRUAH-DLBZAZTESA-N 2 1 276.468 3.421 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1C ZINC000663466380 419620931 /nfs/dbraw/zinc/62/09/31/419620931.db2.gz RYKKIRQBCYCZCE-XBVQOTNRSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H](Nc1[nH+]ccc2c(N)cccc21)C(C)(C)C[NH+](C)C ZINC000663659608 419666802 /nfs/dbraw/zinc/66/68/02/419666802.db2.gz BJPBFOACYYYIOB-GFCCVEGCSA-N 2 1 286.423 3.205 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)C2 ZINC000658244704 419697653 /nfs/dbraw/zinc/69/76/53/419697653.db2.gz FGTMPRGMKMMWTO-KKBFJZEXSA-N 2 1 272.436 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)C2 ZINC000658244704 419697660 /nfs/dbraw/zinc/69/76/60/419697660.db2.gz FGTMPRGMKMMWTO-KKBFJZEXSA-N 2 1 272.436 3.301 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H](C)C1 ZINC000658264133 419719811 /nfs/dbraw/zinc/71/98/11/419719811.db2.gz GXVGYCXLLKRACP-FGZQJIAISA-N 2 1 286.410 3.274 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000179444008 260049097 /nfs/dbraw/zinc/04/90/97/260049097.db2.gz FZFOOUFYWVNSSP-OAHLLOKOSA-N 2 1 283.419 3.419 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000179444008 260049098 /nfs/dbraw/zinc/04/90/98/260049098.db2.gz FZFOOUFYWVNSSP-OAHLLOKOSA-N 2 1 283.419 3.419 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000322467937 261292363 /nfs/dbraw/zinc/29/23/63/261292363.db2.gz NNZWWZQJJXSQRL-CJNGLKHVSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000020190007 262233057 /nfs/dbraw/zinc/23/30/57/262233057.db2.gz XYSQZKBHNPIKLY-ZDUSSCGKSA-N 2 1 294.414 3.359 20 0 CGADMP CC(C)C1(C)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000186191289 262312787 /nfs/dbraw/zinc/31/27/87/262312787.db2.gz ZWWXCGNTEGCYGJ-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000390836004 262349691 /nfs/dbraw/zinc/34/96/91/262349691.db2.gz CRQQAINUGHCFRQ-HMQMGEFJSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000390836082 262349811 /nfs/dbraw/zinc/34/98/11/262349811.db2.gz UPNWFZXZOGKABV-SLUKUZTOSA-N 2 1 294.483 3.041 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189277750 264286997 /nfs/dbraw/zinc/28/69/97/264286997.db2.gz MOJUQAPMKUIARC-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189277750 264286998 /nfs/dbraw/zinc/28/69/98/264286998.db2.gz MOJUQAPMKUIARC-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535340 270036514 /nfs/dbraw/zinc/03/65/14/270036514.db2.gz GSJGVBKTLFFYEP-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000044532783 270036536 /nfs/dbraw/zinc/03/65/36/270036536.db2.gz IQHURDRSFVZSAO-SWLSCSKDSA-N 2 1 294.439 3.294 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000044532783 270036538 /nfs/dbraw/zinc/03/65/38/270036538.db2.gz IQHURDRSFVZSAO-SWLSCSKDSA-N 2 1 294.439 3.294 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000044535677 270036662 /nfs/dbraw/zinc/03/66/62/270036662.db2.gz CSBCYAVVDRUCEB-QWHCGFSZSA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044535677 270036664 /nfs/dbraw/zinc/03/66/64/270036664.db2.gz CSBCYAVVDRUCEB-QWHCGFSZSA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000186086463 270064660 /nfs/dbraw/zinc/06/46/60/270064660.db2.gz MFHBBGIIRCIWPR-QGZVFWFLSA-N 2 1 272.436 3.365 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCc2ccccc2)C1 ZINC000187125092 270067901 /nfs/dbraw/zinc/06/79/01/270067901.db2.gz AQBJXPKFYYSKRF-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000187125092 270067902 /nfs/dbraw/zinc/06/79/02/270067902.db2.gz AQBJXPKFYYSKRF-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000187125092 270067903 /nfs/dbraw/zinc/06/79/03/270067903.db2.gz AQBJXPKFYYSKRF-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000223095401 270086217 /nfs/dbraw/zinc/08/62/17/270086217.db2.gz CSZDACNCHCBHDM-BLLLJJGKSA-N 2 1 280.843 3.127 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000223095401 270086218 /nfs/dbraw/zinc/08/62/18/270086218.db2.gz CSZDACNCHCBHDM-BLLLJJGKSA-N 2 1 280.843 3.127 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC[N@@H+]1C ZINC000224114688 270086730 /nfs/dbraw/zinc/08/67/30/270086730.db2.gz GXRKYXNBZYUWHS-DTZQCDIJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC[N@H+]1C ZINC000224114688 270086731 /nfs/dbraw/zinc/08/67/31/270086731.db2.gz GXRKYXNBZYUWHS-DTZQCDIJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000228537845 270087769 /nfs/dbraw/zinc/08/77/69/270087769.db2.gz BGZSUAKNFWUDKM-BZZMCLGOSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000237507737 270090627 /nfs/dbraw/zinc/09/06/27/270090627.db2.gz CPGQEMIVTXQYCV-HZSPNIEDSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000237507737 270090628 /nfs/dbraw/zinc/09/06/28/270090628.db2.gz CPGQEMIVTXQYCV-HZSPNIEDSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000322467936 270093624 /nfs/dbraw/zinc/09/36/24/270093624.db2.gz NNZWWZQJJXSQRL-BBRMVZONSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC2(OC)CCC2)CC1 ZINC000521277413 270101451 /nfs/dbraw/zinc/10/14/51/270101451.db2.gz RPBAYJWXUPCSKS-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000522623559 270106840 /nfs/dbraw/zinc/10/68/40/270106840.db2.gz XJUZWYAZGXWOLQ-XOQYZJNISA-N 2 1 272.436 3.411 20 0 CGADMP CCc1nc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000524155878 270111887 /nfs/dbraw/zinc/11/18/87/270111887.db2.gz DSROXDRAYBQULH-UHFFFAOYSA-N 2 1 295.496 3.258 20 0 CGADMP CCc1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC000524155878 270111888 /nfs/dbraw/zinc/11/18/88/270111888.db2.gz DSROXDRAYBQULH-UHFFFAOYSA-N 2 1 295.496 3.258 20 0 CGADMP CCc1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000524155878 270111889 /nfs/dbraw/zinc/11/18/89/270111889.db2.gz DSROXDRAYBQULH-UHFFFAOYSA-N 2 1 295.496 3.258 20 0 CGADMP COC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000526107020 270123138 /nfs/dbraw/zinc/12/31/38/270123138.db2.gz GYOAQDYFXPVWPO-GOSISDBHSA-N 2 1 296.499 3.436 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC000527099951 270125062 /nfs/dbraw/zinc/12/50/62/270125062.db2.gz VZVMRYHJQAMZAJ-NVXWUHKLSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@H]1CC12CC2 ZINC000527848031 270139636 /nfs/dbraw/zinc/13/96/36/270139636.db2.gz DUFZYZJUFZQNDO-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@H]1CC12CC2 ZINC000527848031 270139637 /nfs/dbraw/zinc/13/96/37/270139637.db2.gz DUFZYZJUFZQNDO-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)CC1 ZINC000527945042 270146217 /nfs/dbraw/zinc/14/62/17/270146217.db2.gz QHCCSCZKUSHTFR-GVDBMIGSSA-N 2 1 290.838 3.052 20 0 CGADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000527972438 270147566 /nfs/dbraw/zinc/14/75/66/270147566.db2.gz ACHBQMONADNCBJ-VHSSKADRSA-N 2 1 299.418 3.399 20 0 CGADMP CC1(C)CC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000528427411 270165061 /nfs/dbraw/zinc/16/50/61/270165061.db2.gz YSZQASORLABZGQ-NVXWUHKLSA-N 2 1 276.468 3.371 20 0 CGADMP CC1(C)CC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000528427411 270165062 /nfs/dbraw/zinc/16/50/62/270165062.db2.gz YSZQASORLABZGQ-NVXWUHKLSA-N 2 1 276.468 3.371 20 0 CGADMP CC1(C)CC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000528427411 270165063 /nfs/dbraw/zinc/16/50/63/270165063.db2.gz YSZQASORLABZGQ-NVXWUHKLSA-N 2 1 276.468 3.371 20 0 CGADMP c1cc2ccc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)cc2[nH]1 ZINC000529553146 270184386 /nfs/dbraw/zinc/18/43/86/270184386.db2.gz FFRQRVASQJPKFD-QGZVFWFLSA-N 2 1 293.370 3.216 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216013 270195810 /nfs/dbraw/zinc/19/58/10/270195810.db2.gz LQDFSKSJTCUOFN-SUMWQHHRSA-N 2 1 284.403 3.238 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000530233619 270196808 /nfs/dbraw/zinc/19/68/08/270196808.db2.gz YSYQIYPVBZEMGD-OAHLLOKOSA-N 2 1 264.388 3.003 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000530242732 270197232 /nfs/dbraw/zinc/19/72/32/270197232.db2.gz CXFSDMIHMRMDIP-HIFRSBDPSA-N 2 1 266.816 3.290 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530355029 270199343 /nfs/dbraw/zinc/19/93/43/270199343.db2.gz VROCAWOXRRAOEA-ZDUSSCGKSA-N 2 1 289.448 3.425 20 0 CGADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC)cc1 ZINC000530354841 270199377 /nfs/dbraw/zinc/19/93/77/270199377.db2.gz OAZBOSDBDOBQCS-KRWDZBQOSA-N 2 1 287.407 3.102 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2)C[C@H]1C ZINC000531378649 270206281 /nfs/dbraw/zinc/20/62/81/270206281.db2.gz WHMFKEKADTUYJO-AEFFLSMTSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000531687419 270208584 /nfs/dbraw/zinc/20/85/84/270208584.db2.gz VAVWOMMUDPQKAG-JKSUJKDBSA-N 2 1 274.452 3.459 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000531687419 270208585 /nfs/dbraw/zinc/20/85/85/270208585.db2.gz VAVWOMMUDPQKAG-JKSUJKDBSA-N 2 1 274.452 3.459 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000531931935 270210910 /nfs/dbraw/zinc/21/09/10/270210910.db2.gz VCTKYJUKRUSUAY-CRAIPNDOSA-N 2 1 274.452 3.425 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)[C@@H](C)C1 ZINC000531955031 270211444 /nfs/dbraw/zinc/21/14/44/270211444.db2.gz RBKSXIONOCVIHP-CLWVCHIJSA-N 2 1 276.424 3.223 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000532123036 270213934 /nfs/dbraw/zinc/21/39/34/270213934.db2.gz NVXJRESKIDZGCZ-LLVKDONJSA-N 2 1 277.437 3.296 20 0 CGADMP CCc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c2ccccc2[nH+]1 ZINC000532780752 270219632 /nfs/dbraw/zinc/21/96/32/270219632.db2.gz WIEYZHDLHSJBFC-OAHLLOKOSA-N 2 1 297.446 3.361 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422926398 273722055 /nfs/dbraw/zinc/72/20/55/273722055.db2.gz WVHMHKSAAGXNGY-YUELXQCFSA-N 2 1 296.842 3.228 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422729718 273752534 /nfs/dbraw/zinc/75/25/34/273752534.db2.gz IMBIPEPBTMATDY-BBWFWOEESA-N 2 1 258.409 3.184 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273435702 273870036 /nfs/dbraw/zinc/87/00/36/273870036.db2.gz WXHYJXZLEHQRGO-INIZCTEOSA-N 2 1 278.827 3.401 20 0 CGADMP COc1cccc2c(NC[C@@H](C)C[NH+](C)C)cc(C)[nH+]c12 ZINC000488993767 274150460 /nfs/dbraw/zinc/15/04/60/274150460.db2.gz ORZQKMRIYQDLEH-GFCCVEGCSA-N 2 1 287.407 3.161 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000423390338 274217035 /nfs/dbraw/zinc/21/70/35/274217035.db2.gz KAVJNRFRUNLQPS-HZMBPMFUSA-N 2 1 297.240 3.153 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000060264894 274861728 /nfs/dbraw/zinc/86/17/28/274861728.db2.gz GWPLWAWKLZTICX-UHFFFAOYSA-N 2 1 283.297 3.000 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280805451 275068720 /nfs/dbraw/zinc/06/87/20/275068720.db2.gz LHLRPZVXQHIYDB-TVFCKZIOSA-N 2 1 270.420 3.149 20 0 CGADMP C(C1CCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157098546 275389859 /nfs/dbraw/zinc/38/98/59/275389859.db2.gz YXZFHPIFWAJMIR-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000152236879 275570859 /nfs/dbraw/zinc/57/08/59/275570859.db2.gz BUFPDRQHURDDDY-INIZCTEOSA-N 2 1 276.424 3.367 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC000488468463 275671137 /nfs/dbraw/zinc/67/11/37/275671137.db2.gz RWXIDFWTZNPJRS-XHSDSOJGSA-N 2 1 284.513 3.227 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000131452123 276097703 /nfs/dbraw/zinc/09/77/03/276097703.db2.gz YQAREQDILKLEFA-ZDUSSCGKSA-N 2 1 281.469 3.150 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000449783621 276106078 /nfs/dbraw/zinc/10/60/78/276106078.db2.gz QKZCAYGTYHZTQB-SJORKVTESA-N 2 1 272.436 3.254 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000449783621 276106079 /nfs/dbraw/zinc/10/60/79/276106079.db2.gz QKZCAYGTYHZTQB-SJORKVTESA-N 2 1 272.436 3.254 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000443405662 276149149 /nfs/dbraw/zinc/14/91/49/276149149.db2.gz KLUCSTSPSVHELP-NVXWUHKLSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000443405662 276149148 /nfs/dbraw/zinc/14/91/48/276149148.db2.gz KLUCSTSPSVHELP-NVXWUHKLSA-N 2 1 264.457 3.395 20 0 CGADMP CC1CCC(C)(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000359026902 276188376 /nfs/dbraw/zinc/18/83/76/276188376.db2.gz GBWMTICJDVGPNI-FYRZTWFESA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000249380371 276212816 /nfs/dbraw/zinc/21/28/16/276212816.db2.gz QEFLFZLNDXKJLO-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000037644209 276221752 /nfs/dbraw/zinc/22/17/52/276221752.db2.gz FODKIXACEAEKKB-GXTWGEPZSA-N 2 1 266.454 3.357 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@@H](C)C1 ZINC000424346336 276230549 /nfs/dbraw/zinc/23/05/49/276230549.db2.gz JMEWMFWUOFOWLQ-LLLHUVSDSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000338300273 276324579 /nfs/dbraw/zinc/32/45/79/276324579.db2.gz ZMUSECACNHYOBI-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@H](C)Cc1ccccc1)C(C)C ZINC000347356486 276348624 /nfs/dbraw/zinc/34/86/24/276348624.db2.gz RFEAMFPNMVULCJ-MRXNPFEDSA-N 2 1 262.441 3.185 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@H](C)Cc1ccccc1)C(C)C ZINC000347356486 276348627 /nfs/dbraw/zinc/34/86/27/276348627.db2.gz RFEAMFPNMVULCJ-MRXNPFEDSA-N 2 1 262.441 3.185 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C12CCC2 ZINC000422783233 276354020 /nfs/dbraw/zinc/35/40/20/276354020.db2.gz NVQWUFYPLHEMHD-WCXIOVBPSA-N 2 1 286.419 3.069 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000337380391 276395986 /nfs/dbraw/zinc/39/59/86/276395986.db2.gz ALLWGKSIWYAVEY-TZMCWYRMSA-N 2 1 274.399 3.132 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)C[C@@H]1c1ccccc1 ZINC000339455015 276892445 /nfs/dbraw/zinc/89/24/45/276892445.db2.gz MAWIYLHVRMKVFB-MJGOQNOKSA-N 2 1 295.430 3.431 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000271863485 277023124 /nfs/dbraw/zinc/02/31/24/277023124.db2.gz KZENFMDEUVNTFN-QGZVFWFLSA-N 2 1 274.383 3.055 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000366950017 277036746 /nfs/dbraw/zinc/03/67/46/277036746.db2.gz DWIRGVWYDDMEPY-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccccn2)CC1 ZINC000371317621 277043763 /nfs/dbraw/zinc/04/37/63/277043763.db2.gz CTEUKXSDBADCDG-QGZVFWFLSA-N 2 1 287.451 3.135 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccncc2)C1 ZINC000296112184 277043784 /nfs/dbraw/zinc/04/37/84/277043784.db2.gz XWLCQECXQOSSAE-QZTJIDSGSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000296112184 277043785 /nfs/dbraw/zinc/04/37/85/277043785.db2.gz XWLCQECXQOSSAE-QZTJIDSGSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000296112184 277043786 /nfs/dbraw/zinc/04/37/86/277043786.db2.gz XWLCQECXQOSSAE-QZTJIDSGSA-N 2 1 287.451 3.135 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000353518076 277171882 /nfs/dbraw/zinc/17/18/82/277171882.db2.gz KPZVXVYNRDWCCL-WZGPROSRSA-N 2 1 284.447 3.179 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000430126054 277340076 /nfs/dbraw/zinc/34/00/76/277340076.db2.gz PPMAULHIEYCNFB-ABHNRTSZSA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000430126054 277340077 /nfs/dbraw/zinc/34/00/77/277340077.db2.gz PPMAULHIEYCNFB-ABHNRTSZSA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000430126054 277340078 /nfs/dbraw/zinc/34/00/78/277340078.db2.gz PPMAULHIEYCNFB-ABHNRTSZSA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000487532930 277397423 /nfs/dbraw/zinc/39/74/23/277397423.db2.gz FWASDUJAWYITBT-BZUAXINKSA-N 2 1 266.473 3.379 20 0 CGADMP CSCC1CCC([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000423163191 277509001 /nfs/dbraw/zinc/50/90/01/277509001.db2.gz VELAHFKLDITUMA-PNESKVBLSA-N 2 1 279.453 3.067 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3sccc3[C@@H]2C)CC[NH2+]1 ZINC000261563452 278011930 /nfs/dbraw/zinc/01/19/30/278011930.db2.gz GWOJVAAABPZXCQ-FRRDWIJNSA-N 2 1 264.438 3.055 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422889421 278034135 /nfs/dbraw/zinc/03/41/35/278034135.db2.gz PLQQRWUHYBMVBM-SQNIBIBYSA-N 2 1 294.398 3.417 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCC3CCCCC3)C[C@H]12 ZINC000395105047 288005714 /nfs/dbraw/zinc/00/57/14/288005714.db2.gz KPFSTGGUXXRNCQ-HRCADAONSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@H]1C)CC[N@H+]1CCC[C@@H]1C ZINC000411293091 278172334 /nfs/dbraw/zinc/17/23/34/278172334.db2.gz GDPAOLNZKNNVHK-PHZGNYQRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](CC[NH+]1CCC[C@@H]1C)CC[N@@H+]1CCC[C@H]1C ZINC000411293091 278172335 /nfs/dbraw/zinc/17/23/35/278172335.db2.gz GDPAOLNZKNNVHK-PHZGNYQRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](CC[NH+]1CCC[C@@H]1C)CC[N@H+]1CCC[C@H]1C ZINC000411293091 278172336 /nfs/dbraw/zinc/17/23/36/278172336.db2.gz GDPAOLNZKNNVHK-PHZGNYQRSA-N 2 1 252.446 3.371 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414929664 278222384 /nfs/dbraw/zinc/22/23/84/278222384.db2.gz OWPRDVTVSWUCAG-YNEHKIRRSA-N 2 1 292.389 3.475 20 0 CGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000423399453 278223542 /nfs/dbraw/zinc/22/35/42/278223542.db2.gz WETVXNJUFZYWKR-BPCQOVAHSA-N 2 1 274.399 3.178 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000397487657 288024205 /nfs/dbraw/zinc/02/42/05/288024205.db2.gz WSPJFGSOKGMMBF-FOGDFJRCSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000397487657 288024212 /nfs/dbraw/zinc/02/42/12/288024212.db2.gz WSPJFGSOKGMMBF-FOGDFJRCSA-N 2 1 272.845 3.207 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397673111 288026870 /nfs/dbraw/zinc/02/68/70/288026870.db2.gz GICSDOCZXAWZFL-BMRXWSCTSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(OC(F)F)c1 ZINC000424375353 278270937 /nfs/dbraw/zinc/27/09/37/278270937.db2.gz MXQFPGRWQCUIHC-ZLKJLUDKSA-N 2 1 284.350 3.209 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC1(C)C ZINC000397737034 288028600 /nfs/dbraw/zinc/02/86/00/288028600.db2.gz GWXMFYRYILLBMW-FPCVCCKLSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000187005015 278283801 /nfs/dbraw/zinc/28/38/01/278283801.db2.gz IVOMHDHCEJZTGC-KKUMJFAQSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@H+]1CCC[C@H](C)C1 ZINC000187005015 278283803 /nfs/dbraw/zinc/28/38/03/278283803.db2.gz IVOMHDHCEJZTGC-KKUMJFAQSA-N 2 1 284.513 3.228 20 0 CGADMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC1(C)C ZINC000397836779 288031924 /nfs/dbraw/zinc/03/19/24/288031924.db2.gz SRTLVSJPOPCJAX-HUUCEWRRSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866938 288033203 /nfs/dbraw/zinc/03/32/03/288033203.db2.gz GKQZEADTAHZMRD-QAPCUYQASA-N 2 1 298.434 3.115 20 0 CGADMP C[C@@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866938 288033206 /nfs/dbraw/zinc/03/32/06/288033206.db2.gz GKQZEADTAHZMRD-QAPCUYQASA-N 2 1 298.434 3.115 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(C)CC2)C1 ZINC000516700838 278333654 /nfs/dbraw/zinc/33/36/54/278333654.db2.gz CFIRECNTQYJLNP-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000516700838 278333657 /nfs/dbraw/zinc/33/36/57/278333657.db2.gz CFIRECNTQYJLNP-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000516700838 278333658 /nfs/dbraw/zinc/33/36/58/278333658.db2.gz CFIRECNTQYJLNP-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)(C)C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420293829 278334338 /nfs/dbraw/zinc/33/43/38/278334338.db2.gz ANSWOLPTQNPDCE-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422749383 278348230 /nfs/dbraw/zinc/34/82/30/278348230.db2.gz YWQSLZDZQQPWSD-MCIONIFRSA-N 2 1 261.413 3.361 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCC2(CCCCC2)O1 ZINC000459510173 288094793 /nfs/dbraw/zinc/09/47/93/288094793.db2.gz CIKQDIBYGPUZQA-QGZVFWFLSA-N 2 1 292.467 3.085 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459746195 288101078 /nfs/dbraw/zinc/10/10/78/288101078.db2.gz ZBCOQBBTHICIEO-RDJZCZTQSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCc2ccccc21 ZINC000459475876 279161651 /nfs/dbraw/zinc/16/16/51/279161651.db2.gz YWJXUFQOBHAXFT-FQEVSTJZSA-N 2 1 298.474 3.497 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297544406 279257917 /nfs/dbraw/zinc/25/79/17/279257917.db2.gz FETPRIUUBJWRFW-DGCLKSJQSA-N 2 1 281.831 3.042 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000037141646 279262157 /nfs/dbraw/zinc/26/21/57/279262157.db2.gz NPIPCRWWJZRFHJ-DGCLKSJQSA-N 2 1 278.362 3.181 20 0 CGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000423489498 279453683 /nfs/dbraw/zinc/45/36/83/279453683.db2.gz XGPIOTRXTNYJNP-UONOGXRCSA-N 2 1 286.410 3.324 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422700400 279463503 /nfs/dbraw/zinc/46/35/03/279463503.db2.gz GWQCDYPXCVDIHM-WFASDCNBSA-N 2 1 278.827 3.102 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1Cl ZINC000423390194 279514310 /nfs/dbraw/zinc/51/43/10/279514310.db2.gz JVKKOPUIKGETFK-PKFCDNJMSA-N 2 1 270.779 3.128 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOC2CCCCC2)c2ccccc21 ZINC000157451166 279691672 /nfs/dbraw/zinc/69/16/72/279691672.db2.gz LWUZSBAJCVAEDV-DLBZAZTESA-N 2 1 274.408 3.070 20 0 CGADMP FC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000527229641 288158063 /nfs/dbraw/zinc/15/80/63/288158063.db2.gz XTVWGAWCMASHTH-CYBMUJFWSA-N 2 1 282.428 3.052 20 0 CGADMP FC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000527229641 288158067 /nfs/dbraw/zinc/15/80/67/288158067.db2.gz XTVWGAWCMASHTH-CYBMUJFWSA-N 2 1 282.428 3.052 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000166393133 280012507 /nfs/dbraw/zinc/01/25/07/280012507.db2.gz IAUWAJQRCDQRFA-JJRVBVJISA-N 2 1 272.436 3.481 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000166393133 280012509 /nfs/dbraw/zinc/01/25/09/280012509.db2.gz IAUWAJQRCDQRFA-JJRVBVJISA-N 2 1 272.436 3.481 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000423476510 280166766 /nfs/dbraw/zinc/16/67/66/280166766.db2.gz SOGPYDWUIBUDIE-CHWSQXEVSA-N 2 1 297.240 3.072 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529533518 288259314 /nfs/dbraw/zinc/25/93/14/288259314.db2.gz XMLHNMFABVYQLQ-INIZCTEOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529533518 288259315 /nfs/dbraw/zinc/25/93/15/288259315.db2.gz XMLHNMFABVYQLQ-INIZCTEOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529533518 288259317 /nfs/dbraw/zinc/25/93/17/288259317.db2.gz XMLHNMFABVYQLQ-INIZCTEOSA-N 2 1 285.435 3.332 20 0 CGADMP CC[C@H](C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)[NH+]1CCCC1 ZINC000360998325 280839044 /nfs/dbraw/zinc/83/90/44/280839044.db2.gz PEQSOJZMRSGUJI-PMPSAXMXSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)CO2 ZINC000514667660 281122115 /nfs/dbraw/zinc/12/21/15/281122115.db2.gz HRIFTAXCDUZHSA-YQQAZPJKSA-N 2 1 288.435 3.329 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414177615 281272483 /nfs/dbraw/zinc/27/24/83/281272483.db2.gz JXVASIMTGGQRLA-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249161572 281292900 /nfs/dbraw/zinc/29/29/00/281292900.db2.gz ZXYNMRGACFPDIR-YQQAZPJKSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249161572 281292901 /nfs/dbraw/zinc/29/29/01/281292901.db2.gz ZXYNMRGACFPDIR-YQQAZPJKSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420298408 281379709 /nfs/dbraw/zinc/37/97/09/281379709.db2.gz FEBTZNNEPMOSSY-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1(C)C ZINC000531994150 288348850 /nfs/dbraw/zinc/34/88/50/288348850.db2.gz SFTVFZNKYJIVMN-BPKGMFCQSA-N 2 1 296.499 3.289 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CCCCC1 ZINC000502277674 282044380 /nfs/dbraw/zinc/04/43/80/282044380.db2.gz CKIHTWFTLCVSCH-OAGGEKHMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143145 289036248 /nfs/dbraw/zinc/03/62/48/289036248.db2.gz UVLUREIKGHELFF-QXGSTGNESA-N 2 1 284.447 3.253 20 0 CGADMP CC(C)CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000549237278 289038871 /nfs/dbraw/zinc/03/88/71/289038871.db2.gz MKADSPZFVKKWHE-AEFFLSMTSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000549237278 289038874 /nfs/dbraw/zinc/03/88/74/289038874.db2.gz MKADSPZFVKKWHE-AEFFLSMTSA-N 2 1 296.499 3.292 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000549550367 289046454 /nfs/dbraw/zinc/04/64/54/289046454.db2.gz GZBCSFFYIAJYDP-QMJOVRGKSA-N 2 1 272.436 3.410 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000552038008 289152415 /nfs/dbraw/zinc/15/24/15/289152415.db2.gz AIPGPCZPXUANQN-FGTMMUONSA-N 2 1 284.447 3.181 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000552235471 289173696 /nfs/dbraw/zinc/17/36/96/289173696.db2.gz IPNSSTNUWWSWHV-QXAKKESOSA-N 2 1 284.447 3.429 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000552276396 289177439 /nfs/dbraw/zinc/17/74/39/289177439.db2.gz WJSNUOFBTQZHIR-ARFHVFGLSA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000553214686 289213457 /nfs/dbraw/zinc/21/34/57/289213457.db2.gz YCODVFGXFPHRDD-OAHLLOKOSA-N 2 1 272.436 3.397 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000554349829 289273527 /nfs/dbraw/zinc/27/35/27/289273527.db2.gz PYCMGRDPXKCUBG-PKOBYXMFSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)[NH+]1CCCC1 ZINC000554349726 289273641 /nfs/dbraw/zinc/27/36/41/289273641.db2.gz MZGXKHMEPYWEGN-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000554879657 289316658 /nfs/dbraw/zinc/31/66/58/289316658.db2.gz ZDISNQOMXNYFPJ-VQIMIIECSA-N 2 1 286.463 3.454 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968190 289529976 /nfs/dbraw/zinc/52/99/76/289529976.db2.gz CUXLHXSXVRSZFZ-MVJTYMMSSA-N 2 1 274.452 3.499 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000353610887 290222478 /nfs/dbraw/zinc/22/24/78/290222478.db2.gz BEUULRFHVBKCOV-KBXIAJHMSA-N 2 1 250.430 3.028 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)cc1 ZINC000163026169 295246419 /nfs/dbraw/zinc/24/64/19/295246419.db2.gz ALMHIQGJDRQQKC-QILLFSRXSA-N 2 1 290.451 3.465 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)C)cc1 ZINC000163026169 295246420 /nfs/dbraw/zinc/24/64/20/295246420.db2.gz ALMHIQGJDRQQKC-QILLFSRXSA-N 2 1 290.451 3.465 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC12CCCC2)C1CCCCC1 ZINC000423260898 295264427 /nfs/dbraw/zinc/26/44/27/295264427.db2.gz IQRPWISNNVMWED-LSDHHAIUSA-N 2 1 250.430 3.206 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCCS2 ZINC000423282728 295274750 /nfs/dbraw/zinc/27/47/50/295274750.db2.gz WDCKPTFOOFCAQI-HUUCEWRRSA-N 2 1 294.464 3.195 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC000228536622 295309264 /nfs/dbraw/zinc/30/92/64/295309264.db2.gz QKYVVHGRVGVGPQ-BZUAXINKSA-N 2 1 250.430 3.016 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854338 295364922 /nfs/dbraw/zinc/36/49/22/295364922.db2.gz UWDPKYBXXDGTIC-YOEHRIQHSA-N 2 1 290.451 3.123 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262089398 297295971 /nfs/dbraw/zinc/29/59/71/297295971.db2.gz URVIEDNTNWUJFA-XOKHGSTOSA-N 2 1 276.399 3.208 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)C1CCCCC1 ZINC000414855914 303392985 /nfs/dbraw/zinc/39/29/85/303392985.db2.gz XWHOPTNQNOKEDD-QGZVFWFLSA-N 2 1 294.483 3.223 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2)C2CC2)c2ccccc21 ZINC000516562446 303475607 /nfs/dbraw/zinc/47/56/07/303475607.db2.gz YSVPEWJWOLLFGE-KURKYZTESA-N 2 1 279.387 3.267 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000165631264 321905481 /nfs/dbraw/zinc/90/54/81/321905481.db2.gz OBWRCUOKXBRFJM-CVEARBPZSA-N 2 1 263.429 3.386 20 0 CGADMP C[NH2+]CCC[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000563155257 321980407 /nfs/dbraw/zinc/98/04/07/321980407.db2.gz BUTJKSPFXMDUBP-UHFFFAOYSA-N 2 1 290.451 3.263 20 0 CGADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000564097926 322020426 /nfs/dbraw/zinc/02/04/26/322020426.db2.gz FSBFDBXJNTZKHH-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000564097926 322020427 /nfs/dbraw/zinc/02/04/27/322020427.db2.gz FSBFDBXJNTZKHH-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000564097926 322020430 /nfs/dbraw/zinc/02/04/30/322020430.db2.gz FSBFDBXJNTZKHH-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc2c1ccnc2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000564893271 322048183 /nfs/dbraw/zinc/04/81/83/322048183.db2.gz KTPLDMVTTSOQBY-KBPBESRZSA-N 2 1 269.392 3.438 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000564973566 322052370 /nfs/dbraw/zinc/05/23/70/322052370.db2.gz LSDAUTQGUVAPMG-QZTJIDSGSA-N 2 1 292.442 3.324 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000565432312 322077784 /nfs/dbraw/zinc/07/77/84/322077784.db2.gz ZLKBBRCWMHJOPZ-HOCLYGCPSA-N 2 1 297.402 3.186 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000565432312 322077786 /nfs/dbraw/zinc/07/77/86/322077786.db2.gz ZLKBBRCWMHJOPZ-HOCLYGCPSA-N 2 1 297.402 3.186 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000565742391 322089485 /nfs/dbraw/zinc/08/94/85/322089485.db2.gz BKJQJHFMPDWSKM-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000565742391 322089488 /nfs/dbraw/zinc/08/94/88/322089488.db2.gz BKJQJHFMPDWSKM-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000565742391 322089491 /nfs/dbraw/zinc/08/94/91/322089491.db2.gz BKJQJHFMPDWSKM-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000566088116 322103801 /nfs/dbraw/zinc/10/38/01/322103801.db2.gz AHAFEWCBZIMWMB-CQSZACIVSA-N 2 1 266.816 3.434 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000566230277 322110727 /nfs/dbraw/zinc/11/07/27/322110727.db2.gz XTDFVMPEJOILLG-GHMZBOCLSA-N 2 1 293.411 3.165 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566413903 322120759 /nfs/dbraw/zinc/12/07/59/322120759.db2.gz JXLQYVNLLIMXNK-SJLPKXTDSA-N 2 1 297.446 3.306 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000566413903 322120761 /nfs/dbraw/zinc/12/07/61/322120761.db2.gz JXLQYVNLLIMXNK-SJLPKXTDSA-N 2 1 297.446 3.306 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566415519 322120846 /nfs/dbraw/zinc/12/08/46/322120846.db2.gz BOLXVELHSMUCJS-VBKFSLOCSA-N 2 1 283.419 3.388 20 0 CGADMP C/C(=C/c1ccccc1)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000566415519 322120848 /nfs/dbraw/zinc/12/08/48/322120848.db2.gz BOLXVELHSMUCJS-VBKFSLOCSA-N 2 1 283.419 3.388 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000567409988 322162200 /nfs/dbraw/zinc/16/22/00/322162200.db2.gz MMACXCKMLVWSTK-RHJCGQNESA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000567409988 322162201 /nfs/dbraw/zinc/16/22/01/322162201.db2.gz MMACXCKMLVWSTK-RHJCGQNESA-N 2 1 264.457 3.131 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000567639429 322171716 /nfs/dbraw/zinc/17/17/16/322171716.db2.gz OPWUVRZPINGQFD-LBPRGKRZSA-N 2 1 276.380 3.092 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000568162259 322195666 /nfs/dbraw/zinc/19/56/66/322195666.db2.gz SSWKWEBUWAOPLC-DGCLKSJQSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000568162259 322195667 /nfs/dbraw/zinc/19/56/67/322195667.db2.gz SSWKWEBUWAOPLC-DGCLKSJQSA-N 2 1 289.810 3.200 20 0 CGADMP CSc1ccccc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000569822711 322258021 /nfs/dbraw/zinc/25/80/21/322258021.db2.gz RHMNWBIFZLGTIH-UHFFFAOYSA-N 2 1 289.448 3.207 20 0 CGADMP CSc1ccccc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000569822711 322258022 /nfs/dbraw/zinc/25/80/22/322258022.db2.gz RHMNWBIFZLGTIH-UHFFFAOYSA-N 2 1 289.448 3.207 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1C=CCCCCC1 ZINC000569944507 322261338 /nfs/dbraw/zinc/26/13/38/322261338.db2.gz MKDGQEXIOOZJMH-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1C=CCCCCC1 ZINC000569944507 322261339 /nfs/dbraw/zinc/26/13/39/322261339.db2.gz MKDGQEXIOOZJMH-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1C=CCCCCC1 ZINC000569944507 322261341 /nfs/dbraw/zinc/26/13/41/322261341.db2.gz MKDGQEXIOOZJMH-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1C=CCCCCC1 ZINC000569944507 322261342 /nfs/dbraw/zinc/26/13/42/322261342.db2.gz MKDGQEXIOOZJMH-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000570579501 322277061 /nfs/dbraw/zinc/27/70/61/322277061.db2.gz YOYPFUSDQHGQTK-SFHVURJKSA-N 2 1 283.419 3.498 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000570579501 322277062 /nfs/dbraw/zinc/27/70/62/322277062.db2.gz YOYPFUSDQHGQTK-SFHVURJKSA-N 2 1 283.419 3.498 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000570854393 322283850 /nfs/dbraw/zinc/28/38/50/322283850.db2.gz NSTVKRUDIBCYKP-RDTXWAMCSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@@H]([NH+](C)CC(O)C[N@H+](C)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000570910225 322285463 /nfs/dbraw/zinc/28/54/63/322285463.db2.gz DKTIWRCRCJSCLM-ZIAGYGMSSA-N 2 1 286.504 3.080 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000571413817 322298132 /nfs/dbraw/zinc/29/81/32/322298132.db2.gz OGRMATLZBKAPLM-DOMZBBRYSA-N 2 1 293.480 3.278 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000571632556 322303768 /nfs/dbraw/zinc/30/37/68/322303768.db2.gz YJBRAYSSCQXMAG-IAQYHMDHSA-N 2 1 266.816 3.290 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCCC3)O2)C[C@H]1C ZINC000572062921 322318374 /nfs/dbraw/zinc/31/83/74/322318374.db2.gz ZOQMPXKCUVVATJ-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC3(CCCC3)O2)C[C@H]1C ZINC000572062921 322318377 /nfs/dbraw/zinc/31/83/77/322318377.db2.gz ZOQMPXKCUVVATJ-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC3(CCCC3)O2)C[C@H]1C ZINC000572062921 322318380 /nfs/dbraw/zinc/31/83/80/322318380.db2.gz ZOQMPXKCUVVATJ-IXDOHACOSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000572658833 322348331 /nfs/dbraw/zinc/34/83/31/322348331.db2.gz TVRCBDCGKSEJED-KBXCAEBGSA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000394668266 329126660 /nfs/dbraw/zinc/12/66/60/329126660.db2.gz VRDHSXZJPXLAOS-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CCCC1 ZINC000395688354 329294417 /nfs/dbraw/zinc/29/44/17/329294417.db2.gz YQEGTUCXWOUDJZ-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000576985083 335273625 /nfs/dbraw/zinc/27/36/25/335273625.db2.gz UAKAYKYZCWKCQZ-NXOAAHMSSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000576985083 335273627 /nfs/dbraw/zinc/27/36/27/335273627.db2.gz UAKAYKYZCWKCQZ-NXOAAHMSSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000576985083 335273629 /nfs/dbraw/zinc/27/36/29/335273629.db2.gz UAKAYKYZCWKCQZ-NXOAAHMSSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000576985083 335273631 /nfs/dbraw/zinc/27/36/31/335273631.db2.gz UAKAYKYZCWKCQZ-NXOAAHMSSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000576985083 335273632 /nfs/dbraw/zinc/27/36/32/335273632.db2.gz UAKAYKYZCWKCQZ-NXOAAHMSSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000577447794 335353068 /nfs/dbraw/zinc/35/30/68/335353068.db2.gz XUHWTTHBBJTAGJ-LEUOFYLZSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000577447794 335353070 /nfs/dbraw/zinc/35/30/70/335353070.db2.gz XUHWTTHBBJTAGJ-LEUOFYLZSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000577447794 335353071 /nfs/dbraw/zinc/35/30/71/335353071.db2.gz XUHWTTHBBJTAGJ-LEUOFYLZSA-N 2 1 276.468 3.395 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000577583337 335373421 /nfs/dbraw/zinc/37/34/21/335373421.db2.gz IEPGFQGQQOFCBN-RDJZCZTQSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000577583337 335373422 /nfs/dbraw/zinc/37/34/22/335373422.db2.gz IEPGFQGQQOFCBN-RDJZCZTQSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1c(F)cccc1Cl ZINC000577622439 335380330 /nfs/dbraw/zinc/38/03/30/335380330.db2.gz YNOBMMRAGVTFEZ-NSHDSACASA-N 2 1 295.789 3.496 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2cccc(F)c2)s1 ZINC000577729403 335393295 /nfs/dbraw/zinc/39/32/95/335393295.db2.gz NANJSQGFEBPOEO-UHFFFAOYSA-N 2 1 278.396 3.335 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000577887423 335417734 /nfs/dbraw/zinc/41/77/34/335417734.db2.gz QUMPSCPMIJCFSF-HZPDHXFCSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000581131407 336012811 /nfs/dbraw/zinc/01/28/11/336012811.db2.gz HHXCTJRMPBFMCG-KGLIPLIRSA-N 2 1 269.392 3.473 20 0 CGADMP C[C@H](C1CC1)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000385463866 336147306 /nfs/dbraw/zinc/14/73/06/336147306.db2.gz LJXCHXAUIHNBEW-CVEARBPZSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC000582003541 336189050 /nfs/dbraw/zinc/18/90/50/336189050.db2.gz NJUKCYSMHKTEMG-SFHVURJKSA-N 2 1 281.403 3.123 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C[C@H]3C)oc21 ZINC000423407971 533911115 /nfs/dbraw/zinc/91/11/15/533911115.db2.gz WTORYIPNYPXMHM-DYEKYZERSA-N 2 1 288.391 3.090 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000414771745 533930640 /nfs/dbraw/zinc/93/06/40/533930640.db2.gz AJOCCYOJSJITPH-MSOLQXFVSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1csc(Cl)c1 ZINC000423408332 534007268 /nfs/dbraw/zinc/00/72/68/534007268.db2.gz XHXMWFIRHJOWFT-QXEWZRGKSA-N 2 1 258.818 3.050 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358452285 534068038 /nfs/dbraw/zinc/06/80/38/534068038.db2.gz PEWSNIMVIXFELH-STQMWFEESA-N 2 1 298.377 3.233 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358452285 534068046 /nfs/dbraw/zinc/06/80/46/534068046.db2.gz PEWSNIMVIXFELH-STQMWFEESA-N 2 1 298.377 3.233 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])oc2cc1C ZINC000424364664 534092966 /nfs/dbraw/zinc/09/29/66/534092966.db2.gz DVTHLYAHGMKSPG-HZPDHXFCSA-N 2 1 272.392 3.409 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094826315 519672677 /nfs/dbraw/zinc/67/26/77/519672677.db2.gz GYUZUPSVLHLWFQ-LBPRGKRZSA-N 2 1 282.378 3.488 20 0 CGADMP Cc1ccoc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358480628 534449931 /nfs/dbraw/zinc/44/99/31/534449931.db2.gz GMYSORYUDBWKJA-HUUCEWRRSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccoc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358480628 534449940 /nfs/dbraw/zinc/44/99/40/534449940.db2.gz GMYSORYUDBWKJA-HUUCEWRRSA-N 2 1 276.424 3.331 20 0 CGADMP c1cncc([C@H]2CCC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000374293276 534512141 /nfs/dbraw/zinc/51/21/41/534512141.db2.gz IEUQTSIJHZOAMN-MAUKXSAKSA-N 2 1 299.462 3.324 20 0 CGADMP CCOc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000088164262 521360395 /nfs/dbraw/zinc/36/03/95/521360395.db2.gz VQYSIPXVNGXXDS-ALOPSCKCSA-N 2 1 288.435 3.190 20 0 CGADMP Clc1cnccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173533875 534657292 /nfs/dbraw/zinc/65/72/92/534657292.db2.gz STWBOHRSFLALAA-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP Cc1cccc(CC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000449031646 534693211 /nfs/dbraw/zinc/69/32/11/534693211.db2.gz XCSNDRBQAAWRMK-UHFFFAOYSA-N 2 1 297.446 3.226 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Sc1ccccc1 ZINC000129694885 524502937 /nfs/dbraw/zinc/50/29/37/524502937.db2.gz ZIJCNFXZLPVXTE-ZNMIVQPWSA-N 2 1 278.465 3.240 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3F)C2)CC[N@@H+]1C ZINC000157758547 524806312 /nfs/dbraw/zinc/80/63/12/524806312.db2.gz JRWGSZKKUMGLIB-LQULJDIASA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3F)C2)CC[N@H+]1C ZINC000157758547 524806317 /nfs/dbraw/zinc/80/63/17/524806317.db2.gz JRWGSZKKUMGLIB-LQULJDIASA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000049553619 525595722 /nfs/dbraw/zinc/59/57/22/525595722.db2.gz DMJOMJSDXTUSPM-NWDGAFQWSA-N 2 1 286.366 3.279 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000514926309 534911019 /nfs/dbraw/zinc/91/10/19/534911019.db2.gz BHXZNFIYFBMRJH-JYJNAYRXSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000514926309 534911029 /nfs/dbraw/zinc/91/10/29/534911029.db2.gz BHXZNFIYFBMRJH-JYJNAYRXSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000184489019 526215208 /nfs/dbraw/zinc/21/52/08/526215208.db2.gz WPWRILXXVDKTLM-CVEARBPZSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000184489056 526216126 /nfs/dbraw/zinc/21/61/26/526216126.db2.gz WPWRILXXVDKTLM-HOTGVXAUSA-N 2 1 275.440 3.305 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414290630 526661881 /nfs/dbraw/zinc/66/18/81/526661881.db2.gz AFJVSVUAIQXDKS-JJXSEGSLSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414221993 526811625 /nfs/dbraw/zinc/81/16/25/526811625.db2.gz DTAKTAGGCVNRBE-CVEARBPZSA-N 2 1 287.451 3.096 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414221993 526811629 /nfs/dbraw/zinc/81/16/29/526811629.db2.gz DTAKTAGGCVNRBE-CVEARBPZSA-N 2 1 287.451 3.096 20 0 CGADMP [NH3+]C[C@@H](Nc1cc[nH+]cc1Br)C1CCCCC1 ZINC000163963562 527205759 /nfs/dbraw/zinc/20/57/59/527205759.db2.gz OSWOLPCEOFLKFO-CYBMUJFWSA-N 2 1 298.228 3.164 20 0 CGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420367789 527750398 /nfs/dbraw/zinc/75/03/98/527750398.db2.gz WDHJHIJNHZMSAN-WMLDXEAASA-N 2 1 278.415 3.454 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449037715 527835884 /nfs/dbraw/zinc/83/58/84/527835884.db2.gz OJCFSURXGMYGHK-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449037715 527835890 /nfs/dbraw/zinc/83/58/90/527835890.db2.gz OJCFSURXGMYGHK-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449037715 527835896 /nfs/dbraw/zinc/83/58/96/527835896.db2.gz OJCFSURXGMYGHK-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000436469063 528061709 /nfs/dbraw/zinc/06/17/09/528061709.db2.gz UYCBGGSGCLPWQM-IAFLDTSXSA-N 2 1 284.447 3.323 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000436469063 528061716 /nfs/dbraw/zinc/06/17/16/528061716.db2.gz UYCBGGSGCLPWQM-IAFLDTSXSA-N 2 1 284.447 3.323 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427119208 528130768 /nfs/dbraw/zinc/13/07/68/528130768.db2.gz GUWKGIXFWKQRPW-SQNIBIBYSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414194610 528220759 /nfs/dbraw/zinc/22/07/59/528220759.db2.gz ULGSQQMIHPCESY-HOTGVXAUSA-N 2 1 275.440 3.244 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423246653 528333194 /nfs/dbraw/zinc/33/31/94/528333194.db2.gz ZQJVEYUJCDHJCU-DZGCQCFKSA-N 2 1 266.816 3.175 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423246656 528335611 /nfs/dbraw/zinc/33/56/11/528335611.db2.gz ZQJVEYUJCDHJCU-ZFWWWQNUSA-N 2 1 266.816 3.175 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423371327 528361729 /nfs/dbraw/zinc/36/17/29/528361729.db2.gz QEAOXBIXYUHDEN-SMDDNHRTSA-N 2 1 254.805 3.364 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(F)c1 ZINC000359208368 528431532 /nfs/dbraw/zinc/43/15/32/528431532.db2.gz JGZQCIOMYRHXMC-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)C[NH2+]C ZINC000423276116 528473648 /nfs/dbraw/zinc/47/36/48/528473648.db2.gz OAIJGENCGPPPPN-VXGBXAGGSA-N 2 1 284.831 3.245 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423260874 528598963 /nfs/dbraw/zinc/59/89/63/528598963.db2.gz IOAUDFNXSOFREV-HIFRSBDPSA-N 2 1 264.413 3.109 20 0 CGADMP CCOCC[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411443852 528714247 /nfs/dbraw/zinc/71/42/47/528714247.db2.gz MMVGYAGERWLYHM-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418085189 528831886 /nfs/dbraw/zinc/83/18/86/528831886.db2.gz XHLKRHFXUROFMP-XIRDDKMYSA-N 2 1 260.425 3.108 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418085189 528831890 /nfs/dbraw/zinc/83/18/90/528831890.db2.gz XHLKRHFXUROFMP-XIRDDKMYSA-N 2 1 260.425 3.108 20 0 CGADMP CCCC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000423415311 528855293 /nfs/dbraw/zinc/85/52/93/528855293.db2.gz DMNKITVWTYGPAT-MSOLQXFVSA-N 2 1 290.451 3.276 20 0 CGADMP CC(C)[N@H+](CCC[NH+]1CCCCC1)Cc1cccnc1 ZINC000162113249 528879510 /nfs/dbraw/zinc/87/95/10/528879510.db2.gz BJWIJFFFWZSYLF-UHFFFAOYSA-N 2 1 275.440 3.168 20 0 CGADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)Cc1cccnc1 ZINC000162113249 528879513 /nfs/dbraw/zinc/87/95/13/528879513.db2.gz BJWIJFFFWZSYLF-UHFFFAOYSA-N 2 1 275.440 3.168 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000423287137 528954119 /nfs/dbraw/zinc/95/41/19/528954119.db2.gz KMFLGUHDNAAPRW-GFCCVEGCSA-N 2 1 280.460 3.115 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000423289387 528954761 /nfs/dbraw/zinc/95/47/61/528954761.db2.gz XBMAYTOBOQFCCN-AWEZNQCLSA-N 2 1 280.387 3.147 20 0 CGADMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(OC)c(OC)c1 ZINC000423290123 529156193 /nfs/dbraw/zinc/15/61/93/529156193.db2.gz ZBCNRIZBTNIEFG-CQSZACIVSA-N 2 1 294.439 3.262 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1OC(F)F ZINC000423523889 529161835 /nfs/dbraw/zinc/16/18/35/529161835.db2.gz IYHITHBXDTWALA-CQSZACIVSA-N 2 1 298.377 3.471 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000414201069 529168412 /nfs/dbraw/zinc/16/84/12/529168412.db2.gz YBMNBMAVSAQHCH-CRAIPNDOSA-N 2 1 290.451 3.468 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(Br)c1 ZINC000423281284 529201625 /nfs/dbraw/zinc/20/16/25/529201625.db2.gz UCMNMDQNEYMWBM-KGLIPLIRSA-N 2 1 297.240 3.227 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423449560 529247776 /nfs/dbraw/zinc/24/77/76/529247776.db2.gz RUWORVHDVQKAED-SRVKXCTJSA-N 2 1 252.427 3.185 20 0 CGADMP CC[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000093065367 529327099 /nfs/dbraw/zinc/32/70/99/529327099.db2.gz XYVVJFWRKMUTBB-HZPDHXFCSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000093065367 529327100 /nfs/dbraw/zinc/32/71/00/529327100.db2.gz XYVVJFWRKMUTBB-HZPDHXFCSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000093065402 529327387 /nfs/dbraw/zinc/32/73/87/529327387.db2.gz LFBVTAZFQNZNJL-GFCCVEGCSA-N 2 1 275.371 3.456 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000459562001 535017394 /nfs/dbraw/zinc/01/73/94/535017394.db2.gz MQJRAQVSFQNXLX-CYBMUJFWSA-N 2 1 268.832 3.201 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000459562001 535017401 /nfs/dbraw/zinc/01/74/01/535017401.db2.gz MQJRAQVSFQNXLX-CYBMUJFWSA-N 2 1 268.832 3.201 20 0 CGADMP CCC[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000469988245 535341518 /nfs/dbraw/zinc/34/15/18/535341518.db2.gz AYOZHHLSSSWJEC-INIZCTEOSA-N 2 1 260.425 3.254 20 0 CGADMP CC(C)CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000094849358 535385006 /nfs/dbraw/zinc/38/50/06/535385006.db2.gz HZQQIUNFBNCQDS-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000130224432 535938399 /nfs/dbraw/zinc/93/83/99/535938399.db2.gz RHPNUFKTWOKEPR-ZACQAIPSSA-N 2 1 276.399 3.493 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189007104 536345488 /nfs/dbraw/zinc/34/54/88/536345488.db2.gz VAONOEVZIFPBPJ-WMZOPIPTSA-N 2 1 272.436 3.082 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000459734184 536384244 /nfs/dbraw/zinc/38/42/44/536384244.db2.gz GWGRQMIPEMJELT-CYBMUJFWSA-N 2 1 289.398 3.129 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cccs1 ZINC000245602675 536389628 /nfs/dbraw/zinc/38/96/28/536389628.db2.gz JFLFGCPVNLMBEG-KBPBESRZSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000245602675 536389630 /nfs/dbraw/zinc/38/96/30/536389630.db2.gz JFLFGCPVNLMBEG-KBPBESRZSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000245602675 536389632 /nfs/dbraw/zinc/38/96/32/536389632.db2.gz JFLFGCPVNLMBEG-KBPBESRZSA-N 2 1 264.438 3.369 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000045690973 572357987 /nfs/dbraw/zinc/35/79/87/572357987.db2.gz CYEYVNUBKILGCB-GJZGRUSLSA-N 2 1 278.440 3.033 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000382360975 572358647 /nfs/dbraw/zinc/35/86/47/572358647.db2.gz MMAREFFXKDFOAG-MLGOLLRUSA-N 2 1 280.843 3.126 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000382360975 572358648 /nfs/dbraw/zinc/35/86/48/572358648.db2.gz MMAREFFXKDFOAG-MLGOLLRUSA-N 2 1 280.843 3.126 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738311265 572370947 /nfs/dbraw/zinc/37/09/47/572370947.db2.gz DLQNYNGNXHNHIV-CYBMUJFWSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H]([NH2+]CC(F)(F)c1ccccc1)C1CC[NH+](C)CC1 ZINC000396472209 572486000 /nfs/dbraw/zinc/48/60/00/572486000.db2.gz YKNSIRFJRBFUKP-CYBMUJFWSA-N 2 1 282.378 3.098 20 0 CGADMP CCCCCC[C@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000841075520 621604283 /nfs/dbraw/zinc/60/42/83/621604283.db2.gz RUVDNKDNOCUOAU-QWHCGFSZSA-N 2 1 262.388 3.180 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCCO)C1 ZINC000175772591 617773003 /nfs/dbraw/zinc/77/30/03/617773003.db2.gz YWBBWQSXGMDZLV-ZWKOTPCHSA-N 2 1 296.499 3.126 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000175772591 617773010 /nfs/dbraw/zinc/77/30/10/617773010.db2.gz YWBBWQSXGMDZLV-ZWKOTPCHSA-N 2 1 296.499 3.126 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000175772591 617773015 /nfs/dbraw/zinc/77/30/15/617773015.db2.gz YWBBWQSXGMDZLV-ZWKOTPCHSA-N 2 1 296.499 3.126 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261554821 618083247 /nfs/dbraw/zinc/08/32/47/618083247.db2.gz UQVUUAZNDQHBIE-GOSISDBHSA-N 2 1 296.414 3.046 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050245248 618083713 /nfs/dbraw/zinc/08/37/13/618083713.db2.gz AMAIWTOWBCUQJB-INIZCTEOSA-N 2 1 266.388 3.134 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000891942388 618396916 /nfs/dbraw/zinc/39/69/16/618396916.db2.gz GPPWVLODXLPMPM-UONOGXRCSA-N 2 1 252.446 3.227 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000891942387 618398348 /nfs/dbraw/zinc/39/83/48/618398348.db2.gz GPPWVLODXLPMPM-KGLIPLIRSA-N 2 1 252.446 3.227 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2C)C[C@@H]1C ZINC000892104991 618532063 /nfs/dbraw/zinc/53/20/63/618532063.db2.gz WXYGKFSFFIWOBQ-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2C)C[C@@H]1C ZINC000892104991 618532074 /nfs/dbraw/zinc/53/20/74/618532074.db2.gz WXYGKFSFFIWOBQ-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934836875 618701348 /nfs/dbraw/zinc/70/13/48/618701348.db2.gz HDYSSZNJBUDVMD-ZWKOTPCHSA-N 2 1 294.483 3.001 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926503779 618714242 /nfs/dbraw/zinc/71/42/42/618714242.db2.gz OGXCXZJWTFYGNL-VYMRPNJYSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cccc2c1[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CC2 ZINC000926557314 618740216 /nfs/dbraw/zinc/74/02/16/618740216.db2.gz BEEHTEOWNBNBRH-KRWDZBQOSA-N 2 1 272.436 3.446 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnn1C1CCC1 ZINC000924577101 618869446 /nfs/dbraw/zinc/86/94/46/618869446.db2.gz BAHUETJTCVVKID-HNNXBMFYSA-N 2 1 290.455 3.135 20 0 CGADMP CCCSC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000893087159 618991577 /nfs/dbraw/zinc/99/15/77/618991577.db2.gz WVACIWOOCMXRQN-FFHGMXDLSA-N 2 1 270.486 3.123 20 0 CGADMP CCCSC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000893087159 618991578 /nfs/dbraw/zinc/99/15/78/618991578.db2.gz WVACIWOOCMXRQN-FFHGMXDLSA-N 2 1 270.486 3.123 20 0 CGADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925574879 619070121 /nfs/dbraw/zinc/07/01/21/619070121.db2.gz COVGLCCQOYJNPV-BGTYHANMSA-N 2 1 290.451 3.116 20 0 CGADMP CC[C@@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000775397872 619072943 /nfs/dbraw/zinc/07/29/43/619072943.db2.gz YDCNFQWEYMCKDM-IAGOWNOFSA-N 2 1 260.425 3.386 20 0 CGADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925678867 619127802 /nfs/dbraw/zinc/12/78/02/619127802.db2.gz HHMHKRWCRSKKKX-BBRMVZONSA-N 2 1 288.460 3.140 20 0 CGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CF)c2ccc(F)cc2)C1 ZINC000925729435 619196545 /nfs/dbraw/zinc/19/65/45/619196545.db2.gz QCHVOFDPSNSYOI-KFWWJZLASA-N 2 1 282.378 3.332 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000925757732 619221164 /nfs/dbraw/zinc/22/11/64/619221164.db2.gz IZHOPAXGRYKENW-LBPRGKRZSA-N 2 1 250.386 3.161 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000925757504 619221178 /nfs/dbraw/zinc/22/11/78/619221178.db2.gz HVVUVMAYKGLBQJ-HNNXBMFYSA-N 2 1 292.398 3.243 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC000925767346 619228391 /nfs/dbraw/zinc/22/83/91/619228391.db2.gz XRMSTGKSLLLQIO-ZZTPXLKCSA-N 2 1 258.409 3.243 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(F)c1 ZINC000925775335 619238022 /nfs/dbraw/zinc/23/80/22/619238022.db2.gz FTXMVISAZSIYEO-TZMCWYRMSA-N 2 1 286.341 3.111 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000925779724 619242203 /nfs/dbraw/zinc/24/22/03/619242203.db2.gz PDQZJTOETWJYTL-JQWIXIFHSA-N 2 1 288.769 3.235 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261623464 619293928 /nfs/dbraw/zinc/29/39/28/619293928.db2.gz CFFDOBYSTKWESA-MJGOQNOKSA-N 2 1 298.405 3.308 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCS1 ZINC000925861692 619298836 /nfs/dbraw/zinc/29/88/36/619298836.db2.gz RWJAAJRILCWJLI-XBVQOTNRSA-N 2 1 290.476 3.353 20 0 CGADMP Fc1cccc(/C=C/C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000893966171 619341102 /nfs/dbraw/zinc/34/11/02/619341102.db2.gz IXVFPSNLENGUSA-FIMWJMCYSA-N 2 1 285.366 3.442 20 0 CGADMP CC(C)c1c[nH]c(CN2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000893966706 619341468 /nfs/dbraw/zinc/34/14/68/619341468.db2.gz DGSNGBAGZBOBMJ-UHFFFAOYSA-N 2 1 292.471 3.085 20 0 CGADMP CC(C)c1c[nH]c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000893966706 619341471 /nfs/dbraw/zinc/34/14/71/619341471.db2.gz DGSNGBAGZBOBMJ-UHFFFAOYSA-N 2 1 292.471 3.085 20 0 CGADMP CC(C)c1c[nH]c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000893966706 619341473 /nfs/dbraw/zinc/34/14/73/619341473.db2.gz DGSNGBAGZBOBMJ-UHFFFAOYSA-N 2 1 292.471 3.085 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\c3cccc(F)c3)CC[C@H]21 ZINC000894096936 619370834 /nfs/dbraw/zinc/37/08/34/619370834.db2.gz ZIXRNVHRJJJQKK-CDITXYPMSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\c3cccc(F)c3)CC[C@H]21 ZINC000894096936 619370836 /nfs/dbraw/zinc/37/08/36/619370836.db2.gz ZIXRNVHRJJJQKK-CDITXYPMSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\c3cccc(F)c3)CC[C@H]21 ZINC000894096936 619370838 /nfs/dbraw/zinc/37/08/38/619370838.db2.gz ZIXRNVHRJJJQKK-CDITXYPMSA-N 2 1 288.410 3.255 20 0 CGADMP Cc1ncoc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000894159001 619396582 /nfs/dbraw/zinc/39/65/82/619396582.db2.gz WDASNNIKGJPWJK-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261767638 619403610 /nfs/dbraw/zinc/40/36/10/619403610.db2.gz MBNSNYLIXQZOSE-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H](C[NH2+]Cc1nccc2ccccc21)C[NH+]1CCCCC1 ZINC000894194774 619409127 /nfs/dbraw/zinc/40/91/27/619409127.db2.gz FGGKCZUQQGJLEF-INIZCTEOSA-N 2 1 297.446 3.446 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(C)(C)C ZINC000878661520 619440824 /nfs/dbraw/zinc/44/08/24/619440824.db2.gz DIFPEPSWPOTBBE-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C(C)(C)C ZINC000878661520 619440827 /nfs/dbraw/zinc/44/08/27/619440827.db2.gz DIFPEPSWPOTBBE-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C(C)(C)C ZINC000878661520 619440830 /nfs/dbraw/zinc/44/08/30/619440830.db2.gz DIFPEPSWPOTBBE-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000894456807 619543863 /nfs/dbraw/zinc/54/38/63/619543863.db2.gz REVJVYYABYTSCV-DOTOQJQBSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCc2ccc(F)cc21 ZINC000895189259 619773457 /nfs/dbraw/zinc/77/34/57/619773457.db2.gz XVLVHNFFDGRHPR-AWEZNQCLSA-N 2 1 290.426 3.129 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cc(Cl)cc2cccnc21)[NH+](C)C ZINC000895298455 619799054 /nfs/dbraw/zinc/79/90/54/619799054.db2.gz WLVVINNVENKXEF-LBPRGKRZSA-N 2 1 291.826 3.318 20 0 CGADMP C[C@H](CN[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000896721056 620049581 /nfs/dbraw/zinc/04/95/81/620049581.db2.gz LUAHQXIRUZZMGV-VQIMIIECSA-N 2 1 297.446 3.468 20 0 CGADMP C[C@H](C[NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000896721056 620049584 /nfs/dbraw/zinc/04/95/84/620049584.db2.gz LUAHQXIRUZZMGV-VQIMIIECSA-N 2 1 297.446 3.468 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000925204029 620229147 /nfs/dbraw/zinc/22/91/47/620229147.db2.gz JHZJUQZMUNDSFA-WMZOPIPTSA-N 2 1 289.467 3.114 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000925204029 620229151 /nfs/dbraw/zinc/22/91/51/620229151.db2.gz JHZJUQZMUNDSFA-WMZOPIPTSA-N 2 1 289.467 3.114 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000872026183 620274498 /nfs/dbraw/zinc/27/44/98/620274498.db2.gz YTBIPYQVZMWTTH-RYUDHWBXSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000897882127 620442997 /nfs/dbraw/zinc/44/29/97/620442997.db2.gz JMFGRVVUZPFBMT-JURCDPSOSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000897882127 620443000 /nfs/dbraw/zinc/44/30/00/620443000.db2.gz JMFGRVVUZPFBMT-JURCDPSOSA-N 2 1 294.389 3.283 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898322603 620506252 /nfs/dbraw/zinc/50/62/52/620506252.db2.gz NZDYQWGDUSEPPG-KRWDZBQOSA-N 2 1 287.451 3.385 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@@H+]1CCCC[C@@H]1C ZINC000924659737 620557357 /nfs/dbraw/zinc/55/73/57/620557357.db2.gz GLQCVJUVRYFJOJ-WMTDPASSSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@H+]1CCCC[C@@H]1C ZINC000924659737 620557361 /nfs/dbraw/zinc/55/73/61/620557361.db2.gz GLQCVJUVRYFJOJ-WMTDPASSSA-N 2 1 294.483 3.187 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2NC)c1 ZINC000902195465 621190119 /nfs/dbraw/zinc/19/01/19/621190119.db2.gz LDOXOJWYWRCUOU-UHFFFAOYSA-N 2 1 297.446 3.470 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344427 621255817 /nfs/dbraw/zinc/25/58/17/621255817.db2.gz CBBUQPNESHLOLG-IAGOWNOFSA-N 3 1 295.515 3.009 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000902407204 621292480 /nfs/dbraw/zinc/29/24/80/621292480.db2.gz QBKPRVCTKMMWMQ-UKRRQHHQSA-N 2 1 278.827 3.132 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000902407047 621293384 /nfs/dbraw/zinc/29/33/84/621293384.db2.gz ONIUHKZOBWFMQS-JSGCOSHPSA-N 2 1 298.352 3.422 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000902452747 621330924 /nfs/dbraw/zinc/33/09/24/621330924.db2.gz AICAKMFOAPGLRF-MYSGWJLTSA-N 2 1 287.451 3.350 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000902882546 621483086 /nfs/dbraw/zinc/48/30/86/621483086.db2.gz UFQUKCIAJAHPIQ-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903057975 621546411 /nfs/dbraw/zinc/54/64/11/621546411.db2.gz MGCVQZHQVLYCTO-YTTRVJOFSA-N 2 1 288.435 3.348 20 0 CGADMP CC1CC[NH+](CCC[NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903058682 621547821 /nfs/dbraw/zinc/54/78/21/621547821.db2.gz JMIUTESYJQOPGR-SFHVURJKSA-N 2 1 287.451 3.244 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC3CCC1CC3)C2 ZINC000903140039 621594694 /nfs/dbraw/zinc/59/46/94/621594694.db2.gz ZBCQAPGRYPHHLO-KVUINHOASA-N 2 1 274.452 3.313 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(SC)CC2)[C@@H](C)C1 ZINC000903156222 621600761 /nfs/dbraw/zinc/60/07/61/621600761.db2.gz QHYXOPSPJQQERQ-LBDPXKHJSA-N 2 1 284.513 3.228 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCCO1 ZINC000903196799 621621734 /nfs/dbraw/zinc/62/17/34/621621734.db2.gz RNPIQUKSFBETCU-HMGCCCKFSA-N 2 1 292.467 3.082 20 0 CGADMP CC[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903198418 621622838 /nfs/dbraw/zinc/62/28/38/621622838.db2.gz CIGWIPDAYYBXJL-WPXLMEDKSA-N 2 1 250.430 3.170 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903228855 621638548 /nfs/dbraw/zinc/63/85/48/621638548.db2.gz XSLJSCKRUVHZAW-NXCDMZCRSA-N 2 1 297.446 3.206 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903228855 621638553 /nfs/dbraw/zinc/63/85/53/621638553.db2.gz XSLJSCKRUVHZAW-NXCDMZCRSA-N 2 1 297.446 3.206 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381168 621722356 /nfs/dbraw/zinc/72/23/56/621722356.db2.gz SKIKHDFDQFPWRQ-GDBMZVCRSA-N 2 1 277.456 3.489 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381895 621724080 /nfs/dbraw/zinc/72/40/80/621724080.db2.gz AYLKORRNPGIMPS-NVXWUHKLSA-N 2 1 277.456 3.489 20 0 CGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434573 621745007 /nfs/dbraw/zinc/74/50/07/621745007.db2.gz IAZLWUKBFHKESS-VYDXJSESSA-N 2 1 288.435 3.350 20 0 CGADMP CCSc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000903459302 621752246 /nfs/dbraw/zinc/75/22/46/621752246.db2.gz GFRMDNYTWDXNCI-UHFFFAOYSA-N 2 1 276.449 3.127 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@@H]1CCC[NH3+] ZINC000903464012 621753090 /nfs/dbraw/zinc/75/30/90/621753090.db2.gz WLTBKISIWRFDFF-UXXRCYHCSA-N 2 1 286.410 3.117 20 0 CGADMP c1ccc(SCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903486226 621763630 /nfs/dbraw/zinc/76/36/30/621763630.db2.gz SWWYTLGBVOLAJD-HNNXBMFYSA-N 2 1 276.449 3.043 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000903481948 621764861 /nfs/dbraw/zinc/76/48/61/621764861.db2.gz RLFCGGQQWIEIOE-TXCZRRACSA-N 2 1 258.409 3.197 20 0 CGADMP COCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000903722315 621796099 /nfs/dbraw/zinc/79/60/99/621796099.db2.gz KORCYNCOOZBYTE-DLBZAZTESA-N 2 1 290.451 3.086 20 0 CGADMP c1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]C2)cs1 ZINC000903724891 621796671 /nfs/dbraw/zinc/79/66/71/621796671.db2.gz RZODRGPPKINFMF-HIFRSBDPSA-N 2 1 264.438 3.275 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732623 621797751 /nfs/dbraw/zinc/79/77/51/621797751.db2.gz HAWFRDGMLIXXHY-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903864129 621822388 /nfs/dbraw/zinc/82/23/88/621822388.db2.gz RZXLBIYIJRATEA-GOSISDBHSA-N 2 1 266.388 3.168 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903864129 621822390 /nfs/dbraw/zinc/82/23/90/621822390.db2.gz RZXLBIYIJRATEA-GOSISDBHSA-N 2 1 266.388 3.168 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1)C[C@H]([NH3+])CC(F)F ZINC000903876971 621825167 /nfs/dbraw/zinc/82/51/67/621825167.db2.gz JIOYVRMWQXJQPL-CQSZACIVSA-N 2 1 270.367 3.190 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1)C[C@H]([NH3+])CC(F)F ZINC000903876971 621825168 /nfs/dbraw/zinc/82/51/68/621825168.db2.gz JIOYVRMWQXJQPL-CQSZACIVSA-N 2 1 270.367 3.190 20 0 CGADMP CC[N@H+](Cc1ccccc1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884095 621826508 /nfs/dbraw/zinc/82/65/08/621826508.db2.gz RFQGARUGCYUYMG-ZNXRZULTSA-N 2 1 272.436 3.348 20 0 CGADMP Clc1ccc2c(c1)C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903929840 621834985 /nfs/dbraw/zinc/83/49/85/621834985.db2.gz MKBSDSBYZYNSEI-POYXUOKUSA-N 2 1 276.811 3.186 20 0 CGADMP c1ccc([C@@H]2C[C@H]3C[N@H+](CC4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]32)cc1 ZINC000903936342 621835666 /nfs/dbraw/zinc/83/56/66/621835666.db2.gz ZLBAEAUUYMENQS-IGFKAILBSA-N 2 1 296.458 3.253 20 0 CGADMP F[C@@]1(c2ccccc2)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918278 621836363 /nfs/dbraw/zinc/83/63/63/621836363.db2.gz WCHFCUUQAYFZMA-ONQFOCNCSA-N 2 1 288.410 3.088 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959457 621836898 /nfs/dbraw/zinc/83/68/98/621836898.db2.gz IIIIUDBJOQOYJB-OAHLLOKOSA-N 2 1 264.438 3.022 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)ccc2cn1 ZINC000903959566 621837156 /nfs/dbraw/zinc/83/71/56/621837156.db2.gz JVWOWFFYKJHELI-LJQANCHMSA-N 2 1 295.430 3.200 20 0 CGADMP C[C@@H](CCC1CCCC1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972422 621843891 /nfs/dbraw/zinc/84/38/91/621843891.db2.gz IIQMQANSAFPBCA-RDJZCZTQSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299821 621901307 /nfs/dbraw/zinc/90/13/07/621901307.db2.gz PDMDICFKTFKFRS-CMPLNLGQSA-N 2 1 286.341 3.323 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299821 621901308 /nfs/dbraw/zinc/90/13/08/621901308.db2.gz PDMDICFKTFKFRS-CMPLNLGQSA-N 2 1 286.341 3.323 20 0 CGADMP COc1ccc(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C2CC2)cc1 ZINC000904305622 621901927 /nfs/dbraw/zinc/90/19/27/621901927.db2.gz QYNXOAPSSACHFF-UNEWFSDZSA-N 2 1 288.435 3.033 20 0 CGADMP C[C@@]1(C[N@H+]2CCCCC[C@@H]2c2ccncc2)CCC[NH2+]C1 ZINC000904301197 621902178 /nfs/dbraw/zinc/90/21/78/621902178.db2.gz AWAXKYLMWSEHRS-QZTJIDSGSA-N 2 1 287.451 3.388 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2c2cccs2)CCC[NH2+]C1 ZINC000904303821 621902238 /nfs/dbraw/zinc/90/22/38/621902238.db2.gz IKQUAQXRVAAHEN-DZGCQCFKSA-N 2 1 264.438 3.275 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000904342220 621909922 /nfs/dbraw/zinc/90/99/22/621909922.db2.gz ZULRIRNOMKPEQQ-DLBZAZTESA-N 2 1 289.467 3.100 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000904342220 621909925 /nfs/dbraw/zinc/90/99/25/621909925.db2.gz ZULRIRNOMKPEQQ-DLBZAZTESA-N 2 1 289.467 3.100 20 0 CGADMP C[N@H+](CC[NH2+][C@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924803232 622076593 /nfs/dbraw/zinc/07/65/93/622076593.db2.gz QNHDGIAQTUPASE-GOSISDBHSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@H](C1CC1)C1CCOCC1)C1CCCCC1 ZINC000924803232 622076594 /nfs/dbraw/zinc/07/65/94/622076594.db2.gz QNHDGIAQTUPASE-GOSISDBHSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637818 623490575 /nfs/dbraw/zinc/49/05/75/623490575.db2.gz QBZCUZQXJHRVRU-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000925387047 623518382 /nfs/dbraw/zinc/51/83/82/623518382.db2.gz JXMRCTVACDTQIF-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2CF)C1 ZINC000929761990 623594018 /nfs/dbraw/zinc/59/40/18/623594018.db2.gz ATQAEOOUVZQJPX-INIZCTEOSA-N 2 1 290.426 3.320 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2CF)C1 ZINC000929761990 623594021 /nfs/dbraw/zinc/59/40/21/623594021.db2.gz ATQAEOOUVZQJPX-INIZCTEOSA-N 2 1 290.426 3.320 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2CF)C1 ZINC000929761990 623594025 /nfs/dbraw/zinc/59/40/25/623594025.db2.gz ATQAEOOUVZQJPX-INIZCTEOSA-N 2 1 290.426 3.320 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000929761990 623594038 /nfs/dbraw/zinc/59/40/38/623594038.db2.gz ATQAEOOUVZQJPX-INIZCTEOSA-N 2 1 290.426 3.320 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154792110 624369046 /nfs/dbraw/zinc/36/90/46/624369046.db2.gz ZAXSUINBFBGSKW-GFCCVEGCSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)[C@@H](C)C[NH2+]1 ZINC000033635623 624379869 /nfs/dbraw/zinc/37/98/69/624379869.db2.gz XUTWPKJOWFCPRF-QWRGUYRKSA-N 2 1 275.783 3.075 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)C12CCC2 ZINC000925476674 624441181 /nfs/dbraw/zinc/44/11/81/624441181.db2.gz HMTFESWLBPAAIE-SQNIBIBYSA-N 2 1 293.414 3.031 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1ccnn1C1CCC1)C(C)(C)C ZINC000921750123 625863484 /nfs/dbraw/zinc/86/34/84/625863484.db2.gz TXGKTFLUYVNXNT-MRXNPFEDSA-N 2 1 292.471 3.064 20 0 CGADMP CCC[C@H](C)C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000922627282 626022070 /nfs/dbraw/zinc/02/20/70/626022070.db2.gz HAFYCQWMFBTYOX-HOCLYGCPSA-N 2 1 263.429 3.100 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC1(C)C ZINC000922947598 626105668 /nfs/dbraw/zinc/10/56/68/626105668.db2.gz AEEFADJRIKMGSB-ZIAGYGMSSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC[NH2+]C1CC1 ZINC000923316201 626144732 /nfs/dbraw/zinc/14/47/32/626144732.db2.gz NJAKNSAPIQPOJB-HOCLYGCPSA-N 2 1 258.409 3.007 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000923321375 626145609 /nfs/dbraw/zinc/14/56/09/626145609.db2.gz LQXMCHOQCLRABQ-YCXXCVGLSA-N 2 1 285.435 3.139 20 0 CGADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923424626 626152132 /nfs/dbraw/zinc/15/21/32/626152132.db2.gz ADXZCGALYIPXOW-GUYCJALGSA-N 2 1 256.393 3.063 20 0 CGADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923424626 626152137 /nfs/dbraw/zinc/15/21/37/626152137.db2.gz ADXZCGALYIPXOW-GUYCJALGSA-N 2 1 256.393 3.063 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000923481337 626157124 /nfs/dbraw/zinc/15/71/24/626157124.db2.gz PXWSTISTEHJPLN-LBPRGKRZSA-N 2 1 284.856 3.103 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC[C@H]1C[NH3+] ZINC000923492243 626157943 /nfs/dbraw/zinc/15/79/43/626157943.db2.gz APZXREZXOPVYIA-WQGACYEGSA-N 2 1 278.827 3.244 20 0 CGADMP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)o2)cc1 ZINC000923496819 626158478 /nfs/dbraw/zinc/15/84/78/626158478.db2.gz BQCMANGAJNVKEZ-HOCLYGCPSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)on2)cc1 ZINC000923497670 626158573 /nfs/dbraw/zinc/15/85/73/626158573.db2.gz IOUKRLJZNGFHEH-GOEBONIOSA-N 2 1 299.418 3.067 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OCC)c2)C1 ZINC000765290035 627244906 /nfs/dbraw/zinc/24/49/06/627244906.db2.gz GGNFPHJGMZXVKI-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000765758414 627269367 /nfs/dbraw/zinc/26/93/67/627269367.db2.gz MBMHPVPEMIBLBD-KBPBESRZSA-N 2 1 289.398 3.188 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CF)cc2)C[C@@H]1C ZINC000777596559 628287764 /nfs/dbraw/zinc/28/77/64/628287764.db2.gz SFXYIKURIAVDFX-YOEHRIQHSA-N 2 1 278.415 3.461 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780291311 628478495 /nfs/dbraw/zinc/47/84/95/628478495.db2.gz ANKSMEVAMPWAOF-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP C[C@H]([NH2+]Cc1ccoc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781415599 628558711 /nfs/dbraw/zinc/55/87/11/628558711.db2.gz BZSXZPCGUREBIU-DZGCQCFKSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@H]([NH2+]Cc1ccoc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781415599 628558717 /nfs/dbraw/zinc/55/87/17/628558717.db2.gz BZSXZPCGUREBIU-DZGCQCFKSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417583 628558750 /nfs/dbraw/zinc/55/87/50/628558750.db2.gz YFFJUSSQYYGKQG-DZGCQCFKSA-N 2 1 278.465 3.491 20 0 CGADMP C[C@@H](C1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000782180997 628620318 /nfs/dbraw/zinc/62/03/18/628620318.db2.gz NSWPFBZXQZHXLZ-PMPSAXMXSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000783220811 628689157 /nfs/dbraw/zinc/68/91/57/628689157.db2.gz BNZYBPBVFJIPDW-RHSMWYFYSA-N 2 1 260.425 3.415 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783225046 628690242 /nfs/dbraw/zinc/69/02/42/628690242.db2.gz UNHZIYIUVCYURT-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000796774433 629831547 /nfs/dbraw/zinc/83/15/47/629831547.db2.gz FEZJMMYXNCKVSQ-XKQJLSEDSA-N 2 1 276.399 3.097 20 0 CGADMP Fc1cccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000865416509 630110874 /nfs/dbraw/zinc/11/08/74/630110874.db2.gz AQGWBXOQQMWBHF-JKSUJKDBSA-N 2 1 299.393 3.090 20 0 CGADMP Fc1cccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cnc12 ZINC000865416509 630110877 /nfs/dbraw/zinc/11/08/77/630110877.db2.gz AQGWBXOQQMWBHF-JKSUJKDBSA-N 2 1 299.393 3.090 20 0 CGADMP CCc1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000798957459 630128149 /nfs/dbraw/zinc/12/81/49/630128149.db2.gz XTLBTYPQMDHBSA-UHFFFAOYSA-N 2 1 293.480 3.013 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798958036 630128414 /nfs/dbraw/zinc/12/84/14/630128414.db2.gz ZCEUREFVWAACFD-UHFFFAOYSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000878288049 635445378 /nfs/dbraw/zinc/44/53/78/635445378.db2.gz MZILLWMNMDJYCR-OAHLLOKOSA-N 2 1 293.455 3.107 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000878288049 635445382 /nfs/dbraw/zinc/44/53/82/635445382.db2.gz MZILLWMNMDJYCR-OAHLLOKOSA-N 2 1 293.455 3.107 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cncc2ccccc21 ZINC000809765302 630802613 /nfs/dbraw/zinc/80/26/13/630802613.db2.gz MISPZXNXUKTWMR-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cncc2ccccc21 ZINC000809765302 630802618 /nfs/dbraw/zinc/80/26/18/630802618.db2.gz MISPZXNXUKTWMR-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cncc2ccccc21 ZINC000809765302 630802620 /nfs/dbraw/zinc/80/26/20/630802620.db2.gz MISPZXNXUKTWMR-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cncc2ccccc21 ZINC000809765302 630802622 /nfs/dbraw/zinc/80/26/22/630802622.db2.gz MISPZXNXUKTWMR-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1cnc(Cl)s1)CC1CCCC1 ZINC000843385050 635656846 /nfs/dbraw/zinc/65/68/46/635656846.db2.gz SNBUSUZMFCYMFF-UHFFFAOYSA-N 2 1 287.860 3.138 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cnc(Cl)s1)CC1CCCC1 ZINC000843385050 635656851 /nfs/dbraw/zinc/65/68/51/635656851.db2.gz SNBUSUZMFCYMFF-UHFFFAOYSA-N 2 1 287.860 3.138 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144558 631729297 /nfs/dbraw/zinc/72/92/97/631729297.db2.gz JWOSFCHOCPLYEK-HKUYNNGSSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815144558 631729301 /nfs/dbraw/zinc/72/93/01/631729301.db2.gz JWOSFCHOCPLYEK-HKUYNNGSSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815144558 631729302 /nfs/dbraw/zinc/72/93/02/631729302.db2.gz JWOSFCHOCPLYEK-HKUYNNGSSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144560 631729314 /nfs/dbraw/zinc/72/93/14/631729314.db2.gz JWOSFCHOCPLYEK-IEBWSBKVSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815144560 631729316 /nfs/dbraw/zinc/72/93/16/631729316.db2.gz JWOSFCHOCPLYEK-IEBWSBKVSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815144560 631729318 /nfs/dbraw/zinc/72/93/18/631729318.db2.gz JWOSFCHOCPLYEK-IEBWSBKVSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000817938901 632239349 /nfs/dbraw/zinc/23/93/49/632239349.db2.gz VHWKXULWSLUAJD-HNNXBMFYSA-N 2 1 298.434 3.185 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000817958784 632254962 /nfs/dbraw/zinc/25/49/62/632254962.db2.gz MILXBOQERYZVHS-TZMCWYRMSA-N 2 1 252.377 3.158 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1Cl ZINC000817965663 632260552 /nfs/dbraw/zinc/26/05/52/632260552.db2.gz SXDGRLPXHPSEKM-IINYFYTJSA-N 2 1 282.815 3.045 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1Cl ZINC000817980631 632271919 /nfs/dbraw/zinc/27/19/19/632271919.db2.gz WEAIBTFTPGYXFN-DCAQKATOSA-N 2 1 270.804 3.043 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000866233647 633037622 /nfs/dbraw/zinc/03/76/22/633037622.db2.gz XSIILSQVZHQAFR-BRWVUGGUSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000866233647 633037628 /nfs/dbraw/zinc/03/76/28/633037628.db2.gz XSIILSQVZHQAFR-BRWVUGGUSA-N 2 1 289.467 3.113 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561593 633192256 /nfs/dbraw/zinc/19/22/56/633192256.db2.gz HUEZCGQTICELMM-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561593 633192266 /nfs/dbraw/zinc/19/22/66/633192266.db2.gz HUEZCGQTICELMM-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000122051425 633305148 /nfs/dbraw/zinc/30/51/48/633305148.db2.gz JYVJUHVMRCRCKL-DXJOGWAWSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000122051425 633305169 /nfs/dbraw/zinc/30/51/69/633305169.db2.gz JYVJUHVMRCRCKL-DXJOGWAWSA-N 2 1 290.426 3.362 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000880255727 635958610 /nfs/dbraw/zinc/95/86/10/635958610.db2.gz WTFQFVLERSAQSX-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP CC(C)CC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000827870793 633527441 /nfs/dbraw/zinc/52/74/41/633527441.db2.gz OUEDFFQUEOTLJQ-UHFFFAOYSA-N 2 1 282.472 3.044 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827933304 633536556 /nfs/dbraw/zinc/53/65/56/633536556.db2.gz VBMXEMPGSUNSFB-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827933304 633536560 /nfs/dbraw/zinc/53/65/60/633536560.db2.gz VBMXEMPGSUNSFB-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000872019573 633941441 /nfs/dbraw/zinc/94/14/41/633941441.db2.gz WUCRNGPSWWHZBB-NSHDSACASA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+](CC)C(C)C ZINC000872031498 633950256 /nfs/dbraw/zinc/95/02/56/633950256.db2.gz PQDOOQNMAGNKMU-GFCCVEGCSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+](CC)C(C)C ZINC000872031498 633950262 /nfs/dbraw/zinc/95/02/62/633950262.db2.gz PQDOOQNMAGNKMU-GFCCVEGCSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)CC ZINC000872035443 633954483 /nfs/dbraw/zinc/95/44/83/633954483.db2.gz MNYUOFUJXJXJQI-HOTGVXAUSA-N 2 1 284.488 3.028 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000872078873 634001935 /nfs/dbraw/zinc/00/19/35/634001935.db2.gz TVUPQKXTHVYGRV-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000872078873 634001937 /nfs/dbraw/zinc/00/19/37/634001937.db2.gz TVUPQKXTHVYGRV-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000872087296 634013046 /nfs/dbraw/zinc/01/30/46/634013046.db2.gz IEQBEYMEYDLUJH-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP COc1ccc([C@H]2CC[N@@H+](CCCCCC[NH3+])C2)cc1 ZINC000846218716 636161095 /nfs/dbraw/zinc/16/10/95/636161095.db2.gz WYCWPLGSGSHJIK-INIZCTEOSA-N 2 1 276.424 3.004 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000846217871 636161115 /nfs/dbraw/zinc/16/11/15/636161115.db2.gz HNOADOLXAUPOOM-MRXNPFEDSA-N 2 1 278.415 3.209 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C(F)(F)F ZINC000872152521 634065692 /nfs/dbraw/zinc/06/56/92/634065692.db2.gz SPILGFUHXYCKFJ-CHWSQXEVSA-N 2 1 278.362 3.026 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000872157416 634067863 /nfs/dbraw/zinc/06/78/63/634067863.db2.gz OLRPFGKKGTVDBB-UHFFFAOYSA-N 2 1 277.456 3.464 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC2CCOCC2)C1)C1CCCC1 ZINC000872158682 634069714 /nfs/dbraw/zinc/06/97/14/634069714.db2.gz WYUNPNAGNUFHNI-FUHWJXTLSA-N 2 1 294.483 3.033 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCCCCCO)C1)C1CCCC1 ZINC000872158125 634069760 /nfs/dbraw/zinc/06/97/60/634069760.db2.gz TXPGQOMTVQQAIC-SJLPKXTDSA-N 2 1 296.499 3.159 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279715 634099018 /nfs/dbraw/zinc/09/90/18/634099018.db2.gz HGFKFSAVNXJWJL-QGZVFWFLSA-N 2 1 282.472 3.142 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])cc2cccnc12 ZINC000873231237 634292368 /nfs/dbraw/zinc/29/23/68/634292368.db2.gz ATHMCHQDKDCAJN-UHFFFAOYSA-N 2 1 285.435 3.494 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873238064 634296482 /nfs/dbraw/zinc/29/64/82/634296482.db2.gz WHNKCSNWWGHZEY-RDJZCZTQSA-N 2 1 289.467 3.161 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873238066 634297070 /nfs/dbraw/zinc/29/70/70/634297070.db2.gz WHNKCSNWWGHZEY-WBVHZDCISA-N 2 1 289.467 3.161 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000876933721 634931042 /nfs/dbraw/zinc/93/10/42/634931042.db2.gz XLCLDROWVPZCDR-CHWSQXEVSA-N 2 1 293.282 3.282 20 0 CGADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccnc2Cl)cc1 ZINC000841030292 635109293 /nfs/dbraw/zinc/10/92/93/635109293.db2.gz WASGEWQPJHHBME-NSHDSACASA-N 2 1 275.783 3.045 20 0 CGADMP C([C@@H]1CCC2(CCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000877972311 635297758 /nfs/dbraw/zinc/29/77/58/635297758.db2.gz ZFMUCZBQJGYQMR-KRWDZBQOSA-N 2 1 292.467 3.038 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878034085 635331603 /nfs/dbraw/zinc/33/16/03/635331603.db2.gz ISDTZSJCJHPKCW-HNNXBMFYSA-N 2 1 296.499 3.385 20 0 CGADMP CC[N@@H+](CCCCCCC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000842471687 635376374 /nfs/dbraw/zinc/37/63/74/635376374.db2.gz SOVSUYZOOTVFLM-UHFFFAOYSA-N 2 1 292.423 3.146 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)(C)OC2(C)C)[C@H](C)C1 ZINC000878258241 635435988 /nfs/dbraw/zinc/43/59/88/635435988.db2.gz MVWIMGYRNMHFMI-PMPSAXMXSA-N 2 1 296.499 3.242 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)(C)OC2(C)C)[C@H](C)C1 ZINC000878258241 635435993 /nfs/dbraw/zinc/43/59/93/635435993.db2.gz MVWIMGYRNMHFMI-PMPSAXMXSA-N 2 1 296.499 3.242 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)(C)OC2(C)C)[C@H](C)C1 ZINC000878258241 635436000 /nfs/dbraw/zinc/43/60/00/635436000.db2.gz MVWIMGYRNMHFMI-PMPSAXMXSA-N 2 1 296.499 3.242 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878513060 635537884 /nfs/dbraw/zinc/53/78/84/635537884.db2.gz UEWXJMHJGYDFEW-KGLIPLIRSA-N 2 1 274.399 3.228 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125527 635562436 /nfs/dbraw/zinc/56/24/36/635562436.db2.gz XPDULKRDKSCMAI-WBVHZDCISA-N 2 1 295.430 3.056 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125524 635562553 /nfs/dbraw/zinc/56/25/53/635562553.db2.gz XPDULKRDKSCMAI-DOTOQJQBSA-N 2 1 295.430 3.056 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1c(F)cccc1Cl ZINC000843361048 635653896 /nfs/dbraw/zinc/65/38/96/635653896.db2.gz SDUKEXYVFNWJCF-YHWZYXNKSA-N 2 1 296.817 3.366 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1c(F)cccc1Cl ZINC000843361048 635653897 /nfs/dbraw/zinc/65/38/97/635653897.db2.gz SDUKEXYVFNWJCF-YHWZYXNKSA-N 2 1 296.817 3.366 20 0 CGADMP CCC1(CC)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000880094066 635911694 /nfs/dbraw/zinc/91/16/94/635911694.db2.gz BCODPSRTHVRQJI-UHFFFAOYSA-N 2 1 295.515 3.057 20 0 CGADMP ClC1(Cl)C[C@@H]1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000846106442 636144308 /nfs/dbraw/zinc/14/43/08/636144308.db2.gz ZDJAVSSYMVXOGG-AVGNSLFASA-N 2 1 291.266 3.177 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000846109463 636145252 /nfs/dbraw/zinc/14/52/52/636145252.db2.gz JMOLCVGZJQCMSZ-XQQFMLRXSA-N 2 1 293.282 3.280 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217590 636160941 /nfs/dbraw/zinc/16/09/41/636160941.db2.gz FFAJZFWSAZSONX-MRXNPFEDSA-N 2 1 260.425 3.303 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883027537 636512071 /nfs/dbraw/zinc/51/20/71/636512071.db2.gz FLQCMGMQCXXIEH-ALXJQNPVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C=CCC1 ZINC000883246355 636615100 /nfs/dbraw/zinc/61/51/00/636615100.db2.gz GYVRBASISQNZGN-AOIWGVFYSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C=CCC1 ZINC000883246355 636615102 /nfs/dbraw/zinc/61/51/02/636615102.db2.gz GYVRBASISQNZGN-AOIWGVFYSA-N 2 1 284.447 3.453 20 0 CGADMP C=C/C=C/CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000883259863 636630114 /nfs/dbraw/zinc/63/01/14/636630114.db2.gz BHNJYOYVPVTFHX-ONEGZZNKSA-N 2 1 284.447 3.415 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@@H]2CCC[C@H]21 ZINC000883260130 636631324 /nfs/dbraw/zinc/63/13/24/636631324.db2.gz KVJZIFGTXOZPQN-RWMBFGLXSA-N 2 1 274.399 3.130 20 0 CGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000849062090 636736147 /nfs/dbraw/zinc/73/61/47/636736147.db2.gz FPTAGNDUCTXUHE-HZPDHXFCSA-N 2 1 296.503 3.190 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC000883418629 636748839 /nfs/dbraw/zinc/74/88/39/636748839.db2.gz NSKHGVIMANOTSB-STQMWFEESA-N 2 1 262.388 3.117 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883430049 636753571 /nfs/dbraw/zinc/75/35/71/636753571.db2.gz MEFGCRXINVQBTP-BBWFWOEESA-N 2 1 290.451 3.260 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000883430244 636754021 /nfs/dbraw/zinc/75/40/21/636754021.db2.gz QESPTXKEDRAOOP-RBSFLKMASA-N 2 1 286.410 3.276 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883462238 636761840 /nfs/dbraw/zinc/76/18/40/636761840.db2.gz MPVPBWDMRLUCTA-QGZVFWFLSA-N 2 1 282.472 3.034 20 0 CGADMP C[C@H]1C[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)C1 ZINC000850355304 637024734 /nfs/dbraw/zinc/02/47/34/637024734.db2.gz DQAICGABHUMDJN-WDNDVIMCSA-N 2 1 295.496 3.367 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc2cnccc2o1 ZINC000850440080 637064772 /nfs/dbraw/zinc/06/47/72/637064772.db2.gz SHXCJJJTGCZGFJ-CFVMTHIKSA-N 2 1 287.407 3.351 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC000135371940 637123734 /nfs/dbraw/zinc/12/37/34/637123734.db2.gz MZJBGYMKWKBUCT-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000885894006 637307223 /nfs/dbraw/zinc/30/72/23/637307223.db2.gz CBMXHCXSKKCECD-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885954018 637329822 /nfs/dbraw/zinc/32/98/22/637329822.db2.gz LICBHEZCJCFVLK-LEXSJLIMSA-N 2 1 276.399 3.159 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCCCCF)CC2)[nH+]c1C ZINC000886660944 637638379 /nfs/dbraw/zinc/63/83/79/637638379.db2.gz IVAYQCIYGJNBTN-UHFFFAOYSA-N 2 1 267.392 3.346 20 0 CGADMP COC(C)(C)CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662757 637639707 /nfs/dbraw/zinc/63/97/07/637639707.db2.gz LMUOGODCNACGOE-UHFFFAOYSA-N 2 1 279.428 3.021 20 0 CGADMP C[N@@H+](CC[C@@H]1CCc2ccccc21)C1CCC([NH3+])CC1 ZINC000852740983 637703431 /nfs/dbraw/zinc/70/34/31/637703431.db2.gz NMDXAHZFFZZZFA-GTPINHCMSA-N 2 1 272.436 3.308 20 0 CGADMP Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000852758716 637707896 /nfs/dbraw/zinc/70/78/96/637707896.db2.gz DMZSBHWGONLHDY-NVXWUHKLSA-N 2 1 290.451 3.213 20 0 CGADMP FC1(F)CCC[C@H]1CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876213 637715390 /nfs/dbraw/zinc/71/53/90/637715390.db2.gz XMYXDPYFHKLQNK-LSDHHAIUSA-N 2 1 286.410 3.278 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000924575186 638366025 /nfs/dbraw/zinc/36/60/25/638366025.db2.gz IYZKKWPORLLAQX-CZUORRHYSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ncco1 ZINC000924686376 638388217 /nfs/dbraw/zinc/38/82/17/638388217.db2.gz SCUPRGXEEUGBSB-KFWWJZLASA-N 2 1 279.428 3.083 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C1CC1)C(C)(C)C ZINC000924953208 638429242 /nfs/dbraw/zinc/42/92/42/638429242.db2.gz QIROARBCBLSZFA-SWLSCSKDSA-N 2 1 263.429 3.242 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)C12CCC2 ZINC000925586461 638536821 /nfs/dbraw/zinc/53/68/21/638536821.db2.gz TZMGSASQZOFGFB-MGPQQGTHSA-N 2 1 292.810 3.023 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000925627638 638549102 /nfs/dbraw/zinc/54/91/02/638549102.db2.gz XDQXAIJOPAHHKM-SVGFKBNWSA-N 2 1 290.451 3.258 20 0 CGADMP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925654954 638557949 /nfs/dbraw/zinc/55/79/49/638557949.db2.gz HYORLGUOZSBUJR-CKEIUWERSA-N 2 1 288.410 3.336 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccccc1 ZINC000925659765 638560608 /nfs/dbraw/zinc/56/06/08/638560608.db2.gz GOOLOIUCNHLKFM-SWLSCSKDSA-N 2 1 282.378 3.490 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccccc1 ZINC000925709900 638574706 /nfs/dbraw/zinc/57/47/06/638574706.db2.gz VINJXGHIUNPOOZ-IMJJTQAJSA-N 2 1 290.476 3.198 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1ccccc1 ZINC000925719884 638578759 /nfs/dbraw/zinc/57/87/59/638578759.db2.gz VVBVNCRSJXJEGZ-NUEKZKHPSA-N 2 1 258.409 3.245 20 0 CGADMP C1=C[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000925733817 638587174 /nfs/dbraw/zinc/58/71/74/638587174.db2.gz YDSKDUBUWPQBHH-BHYGNILZSA-N 2 1 256.393 3.036 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccccc1 ZINC000925736053 638590577 /nfs/dbraw/zinc/59/05/77/638590577.db2.gz KQSPTVBYFNLZIH-NWANDNLSSA-N 2 1 282.378 3.490 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000925757760 638599903 /nfs/dbraw/zinc/59/99/03/638599903.db2.gz JIMLICHULBXRTC-CYBMUJFWSA-N 2 1 278.444 3.037 20 0 CGADMP Clc1cscc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925770620 638604567 /nfs/dbraw/zinc/60/45/67/638604567.db2.gz JMQAJNJULAUYKT-IACUBPJLSA-N 2 1 284.856 3.412 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)CC1(C)C ZINC000858115911 638634962 /nfs/dbraw/zinc/63/49/62/638634962.db2.gz FZANWLQYQPUYBA-CQSZACIVSA-N 2 1 271.408 3.130 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926455560 638773269 /nfs/dbraw/zinc/77/32/69/638773269.db2.gz HRHISRZDEHHMKF-GVDBMIGSSA-N 2 1 284.488 3.028 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926455560 638773270 /nfs/dbraw/zinc/77/32/70/638773270.db2.gz HRHISRZDEHHMKF-GVDBMIGSSA-N 2 1 284.488 3.028 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926571955 638786980 /nfs/dbraw/zinc/78/69/80/638786980.db2.gz APVJCHQRPYSCHO-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CCC2)CC[N@H+]1C ZINC000926923924 638825910 /nfs/dbraw/zinc/82/59/10/638825910.db2.gz TVGDJURUFXDVBZ-YOEHRIQHSA-N 2 1 290.426 3.320 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CCC2)CC[N@H+]1C ZINC000926923922 638826062 /nfs/dbraw/zinc/82/60/62/638826062.db2.gz TVGDJURUFXDVBZ-WMLDXEAASA-N 2 1 290.426 3.320 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(CC)o2)CC1 ZINC000929294147 638916679 /nfs/dbraw/zinc/91/66/79/638916679.db2.gz AQOMUNGJMNKWNB-UHFFFAOYSA-N 2 1 293.455 3.181 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCc2cccnc2)CC1 ZINC000929505376 638928993 /nfs/dbraw/zinc/92/89/93/638928993.db2.gz IOTYJVCBJALESG-UHFFFAOYSA-N 2 1 289.467 3.066 20 0 CGADMP Cc1cc(C)nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000929507270 638929519 /nfs/dbraw/zinc/92/95/19/638929519.db2.gz SVFMWBUOSLMRPN-UHFFFAOYSA-N 2 1 289.467 3.251 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC000929780774 638950038 /nfs/dbraw/zinc/95/00/38/638950038.db2.gz HHDRFWLWQNLUQV-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC000929780774 638950040 /nfs/dbraw/zinc/95/00/40/638950040.db2.gz HHDRFWLWQNLUQV-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC000929780774 638950042 /nfs/dbraw/zinc/95/00/42/638950042.db2.gz HHDRFWLWQNLUQV-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC000929780774 638950043 /nfs/dbraw/zinc/95/00/43/638950043.db2.gz HHDRFWLWQNLUQV-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC3(CCC3)O2)C[C@@H]1C ZINC000929780139 638950461 /nfs/dbraw/zinc/95/04/61/638950461.db2.gz LCECFWJUBVUBIR-YESZJQIVSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC3(CCC3)O2)C[C@@H]1C ZINC000929780139 638950465 /nfs/dbraw/zinc/95/04/65/638950465.db2.gz LCECFWJUBVUBIR-YESZJQIVSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCC3(CCC3)O2)C[C@@H]1C ZINC000929780139 638950468 /nfs/dbraw/zinc/95/04/68/638950468.db2.gz LCECFWJUBVUBIR-YESZJQIVSA-N 2 1 294.483 3.283 20 0 CGADMP CC(F)(F)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930061989 638971823 /nfs/dbraw/zinc/97/18/23/638971823.db2.gz WPIAQVPHUWEOHG-ZFWWWQNUSA-N 2 1 286.410 3.371 20 0 CGADMP c1ccc([C@@]23C[C@@H]2C[N@@H+](CCC[NH+]2CCCCC2)C3)cc1 ZINC000931932570 639237239 /nfs/dbraw/zinc/23/72/39/639237239.db2.gz VVYGCKOAIMTZFG-MOPGFXCFSA-N 2 1 284.447 3.136 20 0 CGADMP c1ccc([C@@]23C[C@@H]2C[N@H+](CCC[NH+]2CCCCC2)C3)cc1 ZINC000931932570 639237245 /nfs/dbraw/zinc/23/72/45/639237245.db2.gz VVYGCKOAIMTZFG-MOPGFXCFSA-N 2 1 284.447 3.136 20 0 CGADMP CCC[C@](C)([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000934179351 639551336 /nfs/dbraw/zinc/55/13/36/639551336.db2.gz DASVBVMMPJEYBA-KRWDZBQOSA-N 2 1 271.408 3.497 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])CCc1cccs1 ZINC000093291951 640765521 /nfs/dbraw/zinc/76/55/21/640765521.db2.gz MFSNJQFHYHYYFB-UHFFFAOYSA-N 2 1 254.443 3.132 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000251694367 640830552 /nfs/dbraw/zinc/83/05/52/640830552.db2.gz HIIVZAABWVXPSV-DQIHPLBOSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165047457 721964363 /nfs/dbraw/zinc/96/43/63/721964363.db2.gz SRHRFSSAMFIVKH-INIZCTEOSA-N 2 1 273.424 3.235 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C)[C@H](C)C2)CC1 ZINC001257214620 807063740 /nfs/dbraw/zinc/06/37/40/807063740.db2.gz HWCJPKQHHWKHPW-LSDHHAIUSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1ccc2cc[nH+]c(N(CCC[NH3+])C(C)C)c2c1 ZINC001156118152 805655035 /nfs/dbraw/zinc/65/50/35/805655035.db2.gz UOFRSYBZIGHBSC-UHFFFAOYSA-N 2 1 257.381 3.107 20 0 CGADMP COc1cc(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]c2ccccc21 ZINC001156389381 805683509 /nfs/dbraw/zinc/68/35/09/805683509.db2.gz OWXCJZZQSVRVPR-AWEZNQCLSA-N 2 1 299.418 3.387 20 0 CGADMP COc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)[nH+]c2ccccc21 ZINC001156389381 805683514 /nfs/dbraw/zinc/68/35/14/805683514.db2.gz OWXCJZZQSVRVPR-AWEZNQCLSA-N 2 1 299.418 3.387 20 0 CGADMP [NH3+]Cc1cnccc1Nc1ccc([NH+]2CCCCCC2)cc1 ZINC001159542378 806119671 /nfs/dbraw/zinc/11/96/71/806119671.db2.gz PERKZRRNRHOOIW-UHFFFAOYSA-N 2 1 296.418 3.086 20 0 CGADMP CCCCCC[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257357796 807121839 /nfs/dbraw/zinc/12/18/39/807121839.db2.gz UIZPQBJXNHPDOR-JYJNAYRXSA-N 2 1 282.472 3.316 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1cc(C)ccc1C ZINC001253213150 806183122 /nfs/dbraw/zinc/18/31/22/806183122.db2.gz KRCNXRMCLZCRLZ-FUHWJXTLSA-N 2 1 292.467 3.047 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1ccc(C)cc1C ZINC001253211106 806183196 /nfs/dbraw/zinc/18/31/96/806183196.db2.gz AUOUEBNBLYZSLN-SJLPKXTDSA-N 2 1 292.467 3.047 20 0 CGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253410561 806216552 /nfs/dbraw/zinc/21/65/52/806216552.db2.gz LHZUMYRGZHVWPT-PBHICJAKSA-N 2 1 292.467 3.210 20 0 CGADMP C(C1CC1)[N@@H+]1CCC2(C[NH+](C3CCC4(CC4)CC3)C2)C1 ZINC001254442349 806400533 /nfs/dbraw/zinc/40/05/33/806400533.db2.gz FEAUAXGIMYNKOE-UHFFFAOYSA-N 2 1 274.452 3.127 20 0 CGADMP C(C1CC1)[N@H+]1CCC2(C[NH+](C3CCC4(CC4)CC3)C2)C1 ZINC001254442349 806400536 /nfs/dbraw/zinc/40/05/36/806400536.db2.gz FEAUAXGIMYNKOE-UHFFFAOYSA-N 2 1 274.452 3.127 20 0 CGADMP Cc1cc(C)cc(OC[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254499363 806420595 /nfs/dbraw/zinc/42/05/95/806420595.db2.gz FKBKLDINYQZBDB-IRXDYDNUSA-N 2 1 290.451 3.145 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3ccoc3c2)CC1 ZINC001254508178 806428211 /nfs/dbraw/zinc/42/82/11/806428211.db2.gz HSTKQGSPQQBSSN-HNNXBMFYSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC23CCC(F)(F)CC3)CC1 ZINC001254507685 806428243 /nfs/dbraw/zinc/42/82/43/806428243.db2.gz FJKAXKITAMHJAF-QWHCGFSZSA-N 2 1 272.383 3.028 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC001254510297 806429863 /nfs/dbraw/zinc/42/98/63/806429863.db2.gz UVBMZBMVVZVYQT-MRXNPFEDSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1ccccc1CC1(C[NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254510359 806429996 /nfs/dbraw/zinc/42/99/96/806429996.db2.gz NMZJOAHEEOXCFS-GOSISDBHSA-N 2 1 286.463 3.392 20 0 CGADMP Cc1cccc(Cl)c1C(=[NH2+])N[C@H]1CCC[N@H+](C)CC1 ZINC001254513809 806434346 /nfs/dbraw/zinc/43/43/46/806434346.db2.gz GAMPSKKUEZMKJH-LBPRGKRZSA-N 2 1 279.815 3.048 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001254513567 806435090 /nfs/dbraw/zinc/43/50/90/806435090.db2.gz ZXXLQKVVROPOBT-HOCLYGCPSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001254513567 806435094 /nfs/dbraw/zinc/43/50/94/806435094.db2.gz ZXXLQKVVROPOBT-HOCLYGCPSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)CC1 ZINC001254519103 806436430 /nfs/dbraw/zinc/43/64/30/806436430.db2.gz GQYIAVUBLIAPSQ-SFHVURJKSA-N 2 1 298.474 3.451 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001254526708 806442069 /nfs/dbraw/zinc/44/20/69/806442069.db2.gz TYYWIEWOYBLHMU-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001254526708 806442073 /nfs/dbraw/zinc/44/20/73/806442073.db2.gz TYYWIEWOYBLHMU-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001254528038 806443553 /nfs/dbraw/zinc/44/35/53/806443553.db2.gz BUKJSTHWEFJAAQ-GJZGRUSLSA-N 2 1 268.420 3.075 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001254528038 806443557 /nfs/dbraw/zinc/44/35/57/806443557.db2.gz BUKJSTHWEFJAAQ-GJZGRUSLSA-N 2 1 268.420 3.075 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC001162391214 806574113 /nfs/dbraw/zinc/57/41/13/806574113.db2.gz ANECKUUDAJRAPR-VXGBXAGGSA-N 2 1 284.407 3.124 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC001255395767 806632756 /nfs/dbraw/zinc/63/27/56/806632756.db2.gz CXOVTEUBAHQGJW-GBESFXJTSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399512 806633210 /nfs/dbraw/zinc/63/32/10/806633210.db2.gz TYLCXRYAPYEUJF-NXHRZFHOSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399512 806633213 /nfs/dbraw/zinc/63/32/13/806633213.db2.gz TYLCXRYAPYEUJF-NXHRZFHOSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399512 806633215 /nfs/dbraw/zinc/63/32/15/806633215.db2.gz TYLCXRYAPYEUJF-NXHRZFHOSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399512 806633218 /nfs/dbraw/zinc/63/32/18/806633218.db2.gz TYLCXRYAPYEUJF-NXHRZFHOSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001255673440 806701083 /nfs/dbraw/zinc/70/10/83/806701083.db2.gz AESFLIAWESMNNY-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001255673440 806701089 /nfs/dbraw/zinc/70/10/89/806701089.db2.gz AESFLIAWESMNNY-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1(F)F ZINC001255673440 806701095 /nfs/dbraw/zinc/70/10/95/806701095.db2.gz AESFLIAWESMNNY-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1(F)F ZINC001255673440 806701099 /nfs/dbraw/zinc/70/10/99/806701099.db2.gz AESFLIAWESMNNY-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255720714 806718883 /nfs/dbraw/zinc/71/88/83/806718883.db2.gz HFEHMRYKKJXBIM-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379648096 799352306 /nfs/dbraw/zinc/35/23/06/799352306.db2.gz LYFUBOOFRIXONP-WWWALOEZSA-N 2 1 278.827 3.382 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CC[N@H+]1Cc1ccccc1 ZINC000379648096 799352312 /nfs/dbraw/zinc/35/23/12/799352312.db2.gz LYFUBOOFRIXONP-WWWALOEZSA-N 2 1 278.827 3.382 20 0 CGADMP CSCCCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000380891575 799368721 /nfs/dbraw/zinc/36/87/21/799368721.db2.gz JPVLTRAXUPRJJQ-UHFFFAOYSA-N 2 1 270.486 3.126 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000383819555 799408724 /nfs/dbraw/zinc/40/87/24/799408724.db2.gz HKDNIABHJYNSOS-SFHVURJKSA-N 2 1 290.451 3.044 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000385956202 799430600 /nfs/dbraw/zinc/43/06/00/799430600.db2.gz NZJHXZQPRHZQQB-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000385956202 799430605 /nfs/dbraw/zinc/43/06/05/799430605.db2.gz NZJHXZQPRHZQQB-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386715731 799439221 /nfs/dbraw/zinc/43/92/21/799439221.db2.gz WQDBQBLBKVWRDM-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)ccc2n1 ZINC000387038574 799443000 /nfs/dbraw/zinc/44/30/00/799443000.db2.gz LHEQIMDYQGDYMU-MRXNPFEDSA-N 2 1 283.419 3.104 20 0 CGADMP Cc1c[nH+]c(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC001163362715 806748380 /nfs/dbraw/zinc/74/83/80/806748380.db2.gz NGUMYCSMNUSJMP-GJZGRUSLSA-N 2 1 261.413 3.229 20 0 CGADMP Cc1c[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC001163362715 806748385 /nfs/dbraw/zinc/74/83/85/806748385.db2.gz NGUMYCSMNUSJMP-GJZGRUSLSA-N 2 1 261.413 3.229 20 0 CGADMP C[C@]1(CNCc2ccoc2)CCC[N@H+]1Cc1ccccc1 ZINC000397887610 799523473 /nfs/dbraw/zinc/52/34/73/799523473.db2.gz JXJZOGZGLJLGFV-GOSISDBHSA-N 2 1 284.403 3.424 20 0 CGADMP CC1(C)CC[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398421179 799531152 /nfs/dbraw/zinc/53/11/52/799531152.db2.gz YLTBSBQASVTMKS-BDXSIMOUSA-N 2 1 284.447 3.285 20 0 CGADMP CC1(C)CC[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398421179 799531156 /nfs/dbraw/zinc/53/11/56/799531156.db2.gz YLTBSBQASVTMKS-BDXSIMOUSA-N 2 1 284.447 3.285 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000401764497 799557259 /nfs/dbraw/zinc/55/72/59/799557259.db2.gz FKKVGBCKDFSCHH-UHFFFAOYSA-N 2 1 299.349 3.152 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cncc3ccccc32)[C@H]1CC[NH3+] ZINC000404293536 799575429 /nfs/dbraw/zinc/57/54/29/799575429.db2.gz WFCKXLREELQQFO-KSSFIOAISA-N 2 1 283.419 3.184 20 0 CGADMP CO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000453069224 799631348 /nfs/dbraw/zinc/63/13/48/799631348.db2.gz YZRNXOVQMFHYSO-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP c1c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000687969979 799742819 /nfs/dbraw/zinc/74/28/19/799742819.db2.gz ZVLMDYCUPKBXGM-WFASDCNBSA-N 2 1 276.449 3.158 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000690738870 799778741 /nfs/dbraw/zinc/77/87/41/799778741.db2.gz IKTUHAPXHYWVEL-JTQLQIEISA-N 2 1 273.207 3.164 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000696997649 799843133 /nfs/dbraw/zinc/84/31/33/799843133.db2.gz HINYTORZRMFCEM-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000696997649 799843127 /nfs/dbraw/zinc/84/31/27/799843127.db2.gz HINYTORZRMFCEM-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1ccc(C)cn1 ZINC001255947074 806793053 /nfs/dbraw/zinc/79/30/53/806793053.db2.gz NJXXPSDKWUOPKH-LSDHHAIUSA-N 2 1 263.429 3.161 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](COC)c1ccccc1 ZINC001255949868 806794038 /nfs/dbraw/zinc/79/40/38/806794038.db2.gz BYGVZEZPFOXNOO-WBVHZDCISA-N 2 1 278.440 3.084 20 0 CGADMP C[C@H]1C[N@H+](C2CCC(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000708852576 799997402 /nfs/dbraw/zinc/99/74/02/799997402.db2.gz JMTQIDUWLYHUHH-FQXVJMBOSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC(C)(C)C1 ZINC000708862664 799997701 /nfs/dbraw/zinc/99/77/01/799997701.db2.gz PIHXUNABCXDRDM-XGUBFFRZSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC(C)(C)C1 ZINC000708862664 799997707 /nfs/dbraw/zinc/99/77/07/799997707.db2.gz PIHXUNABCXDRDM-XGUBFFRZSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)[C@H]1CC[NH3+] ZINC000709756508 800016771 /nfs/dbraw/zinc/01/67/71/800016771.db2.gz UZIHMCIWONSPBU-KFWWJZLASA-N 2 1 282.472 3.029 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709808067 800018738 /nfs/dbraw/zinc/01/87/38/800018738.db2.gz JUAZHHVRDWYREP-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709806490 800019168 /nfs/dbraw/zinc/01/91/68/800019168.db2.gz DJELYGMQCQJXRV-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCc2sccc21 ZINC001255954433 806796305 /nfs/dbraw/zinc/79/63/05/806796305.db2.gz DLKREYQODKPHBK-GXTWGEPZSA-N 2 1 266.454 3.445 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ccc(F)cn1)C1CC1 ZINC001255954310 806796522 /nfs/dbraw/zinc/79/65/22/806796522.db2.gz TZMMPVWTGZHONH-DYVFJYSZSA-N 2 1 293.430 3.382 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC2(CC2)CC1 ZINC000709970042 800024649 /nfs/dbraw/zinc/02/46/49/800024649.db2.gz XDJNSBRIAZJUKN-HZPDHXFCSA-N 2 1 262.441 3.173 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCc2sccc21 ZINC001255954436 806797077 /nfs/dbraw/zinc/79/70/77/806797077.db2.gz DLKREYQODKPHBK-TZMCWYRMSA-N 2 1 266.454 3.445 20 0 CGADMP Clc1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000710353163 800032655 /nfs/dbraw/zinc/03/26/55/800032655.db2.gz NBYPRUFPTGWPJN-LBPRGKRZSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000710353163 800032662 /nfs/dbraw/zinc/03/26/62/800032662.db2.gz NBYPRUFPTGWPJN-LBPRGKRZSA-N 2 1 299.871 3.008 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710760342 800039292 /nfs/dbraw/zinc/03/92/92/800039292.db2.gz SBTSVDOCNHSKPP-QGZVFWFLSA-N 2 1 262.441 3.459 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710836245 800039878 /nfs/dbraw/zinc/03/98/78/800039878.db2.gz GPJMLLKTWRQUBM-UHFFFAOYSA-N 2 1 284.831 3.300 20 0 CGADMP CCC(CC)[N@@H+](CCOC)Cc1cc2c(s1)CC[NH2+]C2 ZINC000710836277 800040768 /nfs/dbraw/zinc/04/07/68/800040768.db2.gz JHNGMEPETDZHKY-UHFFFAOYSA-N 2 1 296.480 3.031 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCCCCC[NH3+] ZINC000710831233 800040784 /nfs/dbraw/zinc/04/07/84/800040784.db2.gz VKNAKRPHBXBZNK-GFCCVEGCSA-N 2 1 270.367 3.477 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCOc2ccccc21 ZINC000710840815 800041058 /nfs/dbraw/zinc/04/10/58/800041058.db2.gz BMFDVLLPTZTIEB-OAHLLOKOSA-N 2 1 276.424 3.004 20 0 CGADMP CCOc1ccccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710821273 800041168 /nfs/dbraw/zinc/04/11/68/800041168.db2.gz ZCJIXIIYHZCPSN-UHFFFAOYSA-N 2 1 264.413 3.036 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001255955898 806797853 /nfs/dbraw/zinc/79/78/53/806797853.db2.gz XGEDIWBSHFWVRO-HNNXBMFYSA-N 2 1 260.425 3.165 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001255955898 806797858 /nfs/dbraw/zinc/79/78/58/806797858.db2.gz XGEDIWBSHFWVRO-HNNXBMFYSA-N 2 1 260.425 3.165 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@](C)(F)CC1 ZINC001255957192 806798522 /nfs/dbraw/zinc/79/85/22/806798522.db2.gz PDGRQYIHGJDRKH-LSDHHAIUSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1cccs1 ZINC001255962564 806800061 /nfs/dbraw/zinc/80/00/61/806800061.db2.gz XBXUXNGZZJPPGI-ZDUSSCGKSA-N 2 1 254.443 3.300 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1cccs1 ZINC001255962564 806800069 /nfs/dbraw/zinc/80/00/69/806800069.db2.gz XBXUXNGZZJPPGI-ZDUSSCGKSA-N 2 1 254.443 3.300 20 0 CGADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000711815070 800074317 /nfs/dbraw/zinc/07/43/17/800074317.db2.gz HFCYZIVZTFIHPU-OLZOCXBDSA-N 2 1 264.438 3.057 20 0 CGADMP [NH3+]CCc1cccc(Nc2ccc3c([nH+]2)CCCC3)c1 ZINC000712281360 800082273 /nfs/dbraw/zinc/08/22/73/800082273.db2.gz WCOPBOPXYYZBSM-UHFFFAOYSA-N 2 1 267.376 3.205 20 0 CGADMP C[C@H]1c2sccc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000712348639 800084233 /nfs/dbraw/zinc/08/42/33/800084233.db2.gz LYSUKOBNERBZPI-STQMWFEESA-N 2 1 264.438 3.057 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CC2(C1)CCCCC2 ZINC001255966011 806801646 /nfs/dbraw/zinc/80/16/46/806801646.db2.gz JAOCOVSZYZTSAC-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](CC)Cc1cccnc1 ZINC001255964135 806802799 /nfs/dbraw/zinc/80/27/99/806802799.db2.gz PCHRCMSRGBFCCU-OAHLLOKOSA-N 2 1 263.429 3.024 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC)Cc1cccnc1 ZINC001255964135 806802805 /nfs/dbraw/zinc/80/28/05/806802805.db2.gz PCHRCMSRGBFCCU-OAHLLOKOSA-N 2 1 263.429 3.024 20 0 CGADMP CC(C)(C[NH3+])C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000714417682 800121779 /nfs/dbraw/zinc/12/17/79/800121779.db2.gz MVDZKEVFAVYKLC-UHFFFAOYSA-N 2 1 293.480 3.217 20 0 CGADMP C1=C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716719423 800178209 /nfs/dbraw/zinc/17/82/09/800178209.db2.gz SOWCOQNXKYZDFU-MANSERQUSA-N 2 1 282.431 3.348 20 0 CGADMP Cc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071035 806810879 /nfs/dbraw/zinc/81/08/79/806810879.db2.gz MSFWBRBJZDGVGL-ZDUSSCGKSA-N 2 1 276.399 3.412 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC(C)(F)F)[C@@H]1CCC[NH3+] ZINC000718633742 800218665 /nfs/dbraw/zinc/21/86/65/800218665.db2.gz MPBGNFPXKMFRHI-CHWSQXEVSA-N 2 1 262.388 3.261 20 0 CGADMP c1ccc2c(c1)CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256080415 806814136 /nfs/dbraw/zinc/81/41/36/806814136.db2.gz VCTDZRQBWMVEQB-UHFFFAOYSA-N 2 1 270.420 3.062 20 0 CGADMP c1ccc2c(c1)CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256080415 806814144 /nfs/dbraw/zinc/81/41/44/806814144.db2.gz VCTDZRQBWMVEQB-UHFFFAOYSA-N 2 1 270.420 3.062 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000723701426 800338588 /nfs/dbraw/zinc/33/85/88/800338588.db2.gz CGSODZDBGWCCDN-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000723694792 800338749 /nfs/dbraw/zinc/33/87/49/800338749.db2.gz IJKXOBZULREFEH-HZPDHXFCSA-N 2 1 260.425 3.344 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCC[C@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256120509 806828321 /nfs/dbraw/zinc/82/83/21/806828321.db2.gz DMVGPKBCKKAPKL-OKYOBFRVSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCC[C@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256120509 806828327 /nfs/dbraw/zinc/82/83/27/806828327.db2.gz DMVGPKBCKKAPKL-OKYOBFRVSA-N 2 1 284.447 3.206 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2cccc(OC)c2)CC1 ZINC001256163920 806839394 /nfs/dbraw/zinc/83/93/94/806839394.db2.gz IHYHXPLTEVXPOS-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2cccc(OC)c2)CC1 ZINC001256163920 806839401 /nfs/dbraw/zinc/83/94/01/806839401.db2.gz IHYHXPLTEVXPOS-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CC1 ZINC001256200587 806847446 /nfs/dbraw/zinc/84/74/46/806847446.db2.gz XBTDGZIBWPCENR-OGWHTMIXSA-N 2 1 284.447 3.253 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000925706816 800632361 /nfs/dbraw/zinc/63/23/61/800632361.db2.gz OCKSBWKCWFWBHA-STECZYCISA-N 2 1 258.409 3.101 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C)cc(C)c1 ZINC001256201570 806850578 /nfs/dbraw/zinc/85/05/78/806850578.db2.gz MQSKROMKFNRWDX-KRWDZBQOSA-N 2 1 260.425 3.438 20 0 CGADMP CCc1ccc[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001163992208 806871171 /nfs/dbraw/zinc/87/11/71/806871171.db2.gz ANZPRTRKKPRRTA-UHFFFAOYSA-N 2 1 269.392 3.318 20 0 CGADMP CCOC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001256437541 806897940 /nfs/dbraw/zinc/89/79/40/806897940.db2.gz SMHRPTNDQUBNBY-RDHHWEPZSA-N 2 1 282.472 3.043 20 0 CGADMP CCOC1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001256437966 806900113 /nfs/dbraw/zinc/90/01/13/806900113.db2.gz XPGDYRVOGHJFHC-GTPINHCMSA-N 2 1 282.472 3.175 20 0 CGADMP C[C@H]1CC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536302 806910850 /nfs/dbraw/zinc/91/08/50/806910850.db2.gz CRLINWFVRGHIHY-ZMSDIMECSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1CC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536302 806910852 /nfs/dbraw/zinc/91/08/52/806910852.db2.gz CRLINWFVRGHIHY-ZMSDIMECSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1CC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536302 806910853 /nfs/dbraw/zinc/91/08/53/806910853.db2.gz CRLINWFVRGHIHY-ZMSDIMECSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1CC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536302 806910856 /nfs/dbraw/zinc/91/08/56/806910856.db2.gz CRLINWFVRGHIHY-ZMSDIMECSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]([NH3+])c1ccn([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256525872 806909877 /nfs/dbraw/zinc/90/98/77/806909877.db2.gz GHFDYMRZBVHACA-HLLBOEOZSA-N 2 1 298.434 3.128 20 0 CGADMP Cc1ccc2c(CC[NH3+])cn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001256614902 806926406 /nfs/dbraw/zinc/92/64/06/806926406.db2.gz OKOAEMFXHVBDPW-SJPCQFCGSA-N 2 1 297.446 3.249 20 0 CGADMP CCC[N@@H+]([C@@H](C)CC)C1CCC([NH+]2CCOCC2)CC1 ZINC001256689297 806948948 /nfs/dbraw/zinc/94/89/48/806948948.db2.gz TWWKYNLNAGTPEX-GTPINHCMSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccncc1 ZINC001256728195 806961294 /nfs/dbraw/zinc/96/12/94/806961294.db2.gz GUZMBNJLRYGJNV-IRXDYDNUSA-N 2 1 297.446 3.110 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC001116293979 802324883 /nfs/dbraw/zinc/32/48/83/802324883.db2.gz NUFYGQBLVYZKAJ-LUKYLMHMSA-N 2 1 264.457 3.418 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC001116289708 802326310 /nfs/dbraw/zinc/32/63/10/802326310.db2.gz ZFGNRJGTFOWKFJ-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC001116289708 802326319 /nfs/dbraw/zinc/32/63/19/802326319.db2.gz ZFGNRJGTFOWKFJ-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC001116289706 802326998 /nfs/dbraw/zinc/32/69/98/802326998.db2.gz ZFGNRJGTFOWKFJ-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC001116289706 802327005 /nfs/dbraw/zinc/32/70/05/802327005.db2.gz ZFGNRJGTFOWKFJ-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cc(C)ccc1OC ZINC001118057705 802521309 /nfs/dbraw/zinc/52/13/09/802521309.db2.gz GIPNTVGMERDLLE-UKRRQHHQSA-N 2 1 264.413 3.042 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2[nH]1 ZINC001119606528 802683232 /nfs/dbraw/zinc/68/32/32/802683232.db2.gz PNZWUWNXPHNEAD-UHFFFAOYSA-N 2 1 283.419 3.134 20 0 CGADMP CC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001119700191 802693356 /nfs/dbraw/zinc/69/33/56/802693356.db2.gz DBJFUEALGCXRGO-WBVHZDCISA-N 2 1 270.420 3.497 20 0 CGADMP CC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001119700191 802693359 /nfs/dbraw/zinc/69/33/59/802693359.db2.gz DBJFUEALGCXRGO-WBVHZDCISA-N 2 1 270.420 3.497 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1(C)C ZINC001119930095 802708465 /nfs/dbraw/zinc/70/84/65/802708465.db2.gz ZGGYGGSMPZLZQI-YHUYYLMFSA-N 2 1 282.472 3.041 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]2C1 ZINC001119988972 802721716 /nfs/dbraw/zinc/72/17/16/802721716.db2.gz MMAOCYYYJKGCNF-MGPQQGTHSA-N 2 1 294.389 3.127 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC001120071863 802733223 /nfs/dbraw/zinc/73/32/23/802733223.db2.gz OBAJPBIXLYHVRH-SOUVJXGZSA-N 2 1 294.389 3.127 20 0 CGADMP F[C@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256894887 807000073 /nfs/dbraw/zinc/00/00/73/807000073.db2.gz NPAVAKLJOJEXMW-ZNMIVQPWSA-N 2 1 268.420 3.264 20 0 CGADMP F[C@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256894887 807000080 /nfs/dbraw/zinc/00/00/80/807000080.db2.gz NPAVAKLJOJEXMW-ZNMIVQPWSA-N 2 1 268.420 3.264 20 0 CGADMP CCCC[N@@H+](C)CCCN[C@H]1CCC[NH+](C2CCCC2)C1 ZINC001256897219 807002532 /nfs/dbraw/zinc/00/25/32/807002532.db2.gz HDHODJGABSJVRS-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CCCC[NH+](C)CCCN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256897219 807002538 /nfs/dbraw/zinc/00/25/38/807002538.db2.gz HDHODJGABSJVRS-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CCCC[NH+](C)CCCN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256897219 807002545 /nfs/dbraw/zinc/00/25/45/807002545.db2.gz HDHODJGABSJVRS-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CCOC(=[NH2+])c1cccc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243895769 803065883 /nfs/dbraw/zinc/06/58/83/803065883.db2.gz HFXWLGMWJXNRRE-NACWPOHOSA-N 2 1 258.365 3.061 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC001205280592 812928782 /nfs/dbraw/zinc/92/87/82/812928782.db2.gz DANKEHYSOXCRKC-OAHLLOKOSA-N 2 1 268.351 3.328 20 0 CGADMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205281170 812929133 /nfs/dbraw/zinc/92/91/33/812929133.db2.gz QSSOERPGNCQCDF-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205281170 812929134 /nfs/dbraw/zinc/92/91/34/812929134.db2.gz QSSOERPGNCQCDF-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP CC[N@@H+]1CCCC[C@H]1c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243949563 803095356 /nfs/dbraw/zinc/09/53/56/803095356.db2.gz NBPWHOWKPKGAEP-KRWDZBQOSA-N 2 1 271.408 3.353 20 0 CGADMP CC[N@H+]1CCCC[C@H]1c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243949563 803095359 /nfs/dbraw/zinc/09/53/59/803095359.db2.gz NBPWHOWKPKGAEP-KRWDZBQOSA-N 2 1 271.408 3.353 20 0 CGADMP C[N@H+](CCC(C)(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001208663463 813786046 /nfs/dbraw/zinc/78/60/46/813786046.db2.gz MBBGTJUFEMPPOW-UHFFFAOYSA-N 2 1 274.452 3.380 20 0 CGADMP C[N@@H+](CCC(C)(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001208663463 813786052 /nfs/dbraw/zinc/78/60/52/813786052.db2.gz MBBGTJUFEMPPOW-UHFFFAOYSA-N 2 1 274.452 3.380 20 0 CGADMP C[NH2+]Cc1cccc(-c2c[nH+]cc3cc[nH]c32)c1F ZINC001244860508 803552210 /nfs/dbraw/zinc/55/22/10/803552210.db2.gz PIZUYUSFBRMSBA-UHFFFAOYSA-N 2 1 255.296 3.088 20 0 CGADMP Cc1ccc2c(C[N@H+](C)CCC[NH+]3CCCC3)c[nH]c2c1 ZINC001136973099 803665233 /nfs/dbraw/zinc/66/52/33/803665233.db2.gz MFHBACZMQFTHJK-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)CCC[NH+]3CCCC3)c[nH]c2c1 ZINC001136973099 803665235 /nfs/dbraw/zinc/66/52/35/803665235.db2.gz MFHBACZMQFTHJK-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3scc(C)c3Cl)C[C@H]2C1 ZINC001137294027 803711377 /nfs/dbraw/zinc/71/13/77/803711377.db2.gz NEGDVGXLBMGIPU-BETUJISGSA-N 2 1 298.883 3.484 20 0 CGADMP [NH3+]Cc1cnccc1-c1ccc2[nH]c3cc[nH+]cc3c2c1 ZINC001245560105 803814879 /nfs/dbraw/zinc/81/48/79/803814879.db2.gz HCSJKVAIMGPQPW-UHFFFAOYSA-N 2 1 274.327 3.237 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(CF)CC2)cc1 ZINC001138547000 803965109 /nfs/dbraw/zinc/96/51/09/803965109.db2.gz AGCSOVXLCHZHCI-UHFFFAOYSA-N 2 1 287.382 3.362 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246101971 804135825 /nfs/dbraw/zinc/13/58/25/804135825.db2.gz NKJOIMSCDODTJL-BPQIPLTHSA-N 2 1 274.452 3.376 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246106412 804138597 /nfs/dbraw/zinc/13/85/97/804138597.db2.gz CVTISNKZIMIWQJ-CJNGLKHVSA-N 2 1 298.833 3.342 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C[C@@]2(F)CCCC[NH2+]C2)cc1 ZINC001246115673 804148393 /nfs/dbraw/zinc/14/83/93/804148393.db2.gz RYRRHZTZEDWBMI-CRAIPNDOSA-N 2 1 292.442 3.251 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[NH2+][C@@H]3CC[NH2+]C3)ccc2c1 ZINC001246117604 804149766 /nfs/dbraw/zinc/14/97/66/804149766.db2.gz RJAJCTSADNWKJO-KBXCAEBGSA-N 2 1 298.430 3.121 20 0 CGADMP CCCCCC(CCCCC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246132409 804157743 /nfs/dbraw/zinc/15/77/43/804157743.db2.gz COOFFNPYJAFGTK-HOCLYGCPSA-N 2 1 252.446 3.467 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CC[NH2+]C1 ZINC001246150247 804169774 /nfs/dbraw/zinc/16/97/74/804169774.db2.gz VWDSRYSUAYPAKS-DLBZAZTESA-N 2 1 278.415 3.079 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159934 804175270 /nfs/dbraw/zinc/17/52/70/804175270.db2.gz LPRIHQYIEORHHC-BSDSXHPESA-N 2 1 296.499 3.338 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)CC1 ZINC001246160544 804177525 /nfs/dbraw/zinc/17/75/25/804177525.db2.gz NNSMPXULTYJKMP-OPQOLIRYSA-N 2 1 294.483 3.092 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C[NH2+]1 ZINC001246161178 804177673 /nfs/dbraw/zinc/17/76/73/804177673.db2.gz YREDYSTXGHVGPZ-WBVHZDCISA-N 2 1 296.414 3.361 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@]2(C)CCC[NH2+]C2)cc1 ZINC001246191660 804200380 /nfs/dbraw/zinc/20/03/80/804200380.db2.gz WWEAKESLSSFXKV-DOTOQJQBSA-N 2 1 260.425 3.048 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246220547 804214946 /nfs/dbraw/zinc/21/49/46/804214946.db2.gz LHXOSXUHMYNNST-HOTGVXAUSA-N 2 1 296.405 3.232 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246236918 804229071 /nfs/dbraw/zinc/22/90/71/804229071.db2.gz UQVQVLHGZRWDFY-HZPDHXFCSA-N 2 1 278.415 3.390 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C2(C[NH3+])CCCC2)CC1 ZINC001246279197 804254189 /nfs/dbraw/zinc/25/41/89/804254189.db2.gz KZOXDZVEBVWYGZ-UHFFFAOYSA-N 2 1 252.446 3.452 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+][C@@H](c1ccccc1F)C1CCC1 ZINC001246284175 804258835 /nfs/dbraw/zinc/25/88/35/804258835.db2.gz ZNUYATFNXRXBQZ-BLLLJJGKSA-N 2 1 264.388 3.255 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246299442 804265485 /nfs/dbraw/zinc/26/54/85/804265485.db2.gz KKFBACMVLPBGIG-PXNSSMCTSA-N 2 1 296.458 3.476 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246298440 804267138 /nfs/dbraw/zinc/26/71/38/804267138.db2.gz BOOGDHZAYHTROD-APWZRJJASA-N 2 1 282.431 3.086 20 0 CGADMP CCCCCC[C@H](CCCC)N[C@@H]([NH3+])CCC[NH3+] ZINC001246302257 804267707 /nfs/dbraw/zinc/26/77/07/804267707.db2.gz XJHHLJJNQONKOT-LSDHHAIUSA-N 2 1 257.466 3.129 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246316863 804276455 /nfs/dbraw/zinc/27/64/55/804276455.db2.gz KDSZOODJGLRWKI-NWDGAFQWSA-N 2 1 287.234 3.178 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@H](C)CC(C)(C)SCc1ccco1 ZINC001246318017 804277743 /nfs/dbraw/zinc/27/77/43/804277743.db2.gz OSLNFJIMEOVTNH-CHWSQXEVSA-N 2 1 284.469 3.397 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)CC(C)(C)C1 ZINC001246325279 804282622 /nfs/dbraw/zinc/28/26/22/804282622.db2.gz JPJMCMFPURQSNB-RDBSUJKOSA-N 2 1 252.446 3.179 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246332214 804287529 /nfs/dbraw/zinc/28/75/29/804287529.db2.gz PZGMFAIAMORMBZ-HUBLWGQQSA-N 2 1 298.883 3.408 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(COC)s1 ZINC001139829651 804293724 /nfs/dbraw/zinc/29/37/24/804293724.db2.gz RVMIVGDNPFDNEI-UHFFFAOYSA-N 2 1 284.469 3.058 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(COC)s1 ZINC001139829651 804293731 /nfs/dbraw/zinc/29/37/31/804293731.db2.gz RVMIVGDNPFDNEI-UHFFFAOYSA-N 2 1 284.469 3.058 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC001246344450 804296017 /nfs/dbraw/zinc/29/60/17/804296017.db2.gz ZJUVZFFRXWVQGY-NWINJMCUSA-N 2 1 292.389 3.475 20 0 CGADMP Cc1ccc(CC2(C[NH2+][C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC001246384014 804314931 /nfs/dbraw/zinc/31/49/31/804314931.db2.gz NFLJOSAODOZQBW-RDJZCZTQSA-N 2 1 272.436 3.048 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(CC2CCC2)CC[NH2+]CC1 ZINC001246446063 804333827 /nfs/dbraw/zinc/33/38/27/804333827.db2.gz KIVHWVYCELPEFC-MRXNPFEDSA-N 3 1 295.515 3.009 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]2)cc1 ZINC001246458269 804339510 /nfs/dbraw/zinc/33/95/10/804339510.db2.gz XTENUUPLKGHSLB-GOEBONIOSA-N 2 1 278.465 3.207 20 0 CGADMP CC[C@@]1([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC[NH2+]C1 ZINC001246460420 804341485 /nfs/dbraw/zinc/34/14/85/804341485.db2.gz MLXXENLJUGVQKV-XHDPSFHLSA-N 2 1 284.806 3.142 20 0 CGADMP CC(C)[NH2+]CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001246461377 804342315 /nfs/dbraw/zinc/34/23/15/804342315.db2.gz PIDCROPXTKBQHH-LBPRGKRZSA-N 2 1 288.357 3.224 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001246504332 804363939 /nfs/dbraw/zinc/36/39/39/804363939.db2.gz QPHAGDIRLMIJDS-FZMZJTMJSA-N 2 1 286.822 3.373 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246520188 804373017 /nfs/dbraw/zinc/37/30/17/804373017.db2.gz RNKZWHVXISXZMZ-VQTJNVASSA-N 2 1 294.442 3.482 20 0 CGADMP CCCC[N@@H+](C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246520935 804374216 /nfs/dbraw/zinc/37/42/16/804374216.db2.gz LZZGOEFEWKWPGB-SJORKVTESA-N 2 1 260.425 3.082 20 0 CGADMP CCC[N@@H+](CC)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246521232 804375784 /nfs/dbraw/zinc/37/57/84/804375784.db2.gz NJOBMWGRUFWSOL-IRXDYDNUSA-N 2 1 260.425 3.082 20 0 CGADMP CC[N@@H+](C1CC1)[C@@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246524478 804378231 /nfs/dbraw/zinc/37/82/31/804378231.db2.gz RPYOLKPKHKKTFY-WBVHZDCISA-N 2 1 276.399 3.412 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246523417 804379083 /nfs/dbraw/zinc/37/90/83/804379083.db2.gz FWHZXZUWJKJBEA-HZPDHXFCSA-N 2 1 278.415 3.424 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246528750 804380080 /nfs/dbraw/zinc/38/00/80/804380080.db2.gz HVSORFLFZYJCCI-CZUORRHYSA-N 2 1 296.480 3.493 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246529733 804380891 /nfs/dbraw/zinc/38/08/91/804380891.db2.gz UHBNQCGTOIVDJZ-IRXDYDNUSA-N 2 1 276.399 3.180 20 0 CGADMP CCCCC[N@@H+](C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246530032 804381626 /nfs/dbraw/zinc/38/16/26/804381626.db2.gz NIPRBCUCYDGYEV-MSOLQXFVSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246530256 804382194 /nfs/dbraw/zinc/38/21/94/804382194.db2.gz KVZAZVWLYHLJPO-MOPGFXCFSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246531398 804384222 /nfs/dbraw/zinc/38/42/22/804384222.db2.gz QQGBQIQIILJVAI-IXDOHACOSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246540506 804387217 /nfs/dbraw/zinc/38/72/17/804387217.db2.gz AZUKTULJJKYIGO-GDBMZVCRSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](C2CCC3(CCCC3)CC2)C1 ZINC001246538681 804388990 /nfs/dbraw/zinc/38/89/90/804388990.db2.gz IMWOIWNKQARNDS-OAHLLOKOSA-N 2 1 250.430 3.303 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538250 804389249 /nfs/dbraw/zinc/38/92/49/804389249.db2.gz ATBVVXDBEYBIQU-SMDDNHRTSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2CCC[C@H](c3ccccc3)C2)C[C@H]1C[NH3+] ZINC001246543110 804390843 /nfs/dbraw/zinc/39/08/43/804390843.db2.gz TWOCXGASIKQGJX-OWLYRPNTSA-N 2 1 272.436 3.239 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001246541745 804390947 /nfs/dbraw/zinc/39/09/47/804390947.db2.gz NGABVZSAOLHQMP-HJOIGYKYSA-N 2 1 288.435 3.190 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543396 804391333 /nfs/dbraw/zinc/39/13/33/804391333.db2.gz MZLMBECUEOSKCF-DLBZAZTESA-N 2 1 284.488 3.301 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246545636 804392272 /nfs/dbraw/zinc/39/22/72/804392272.db2.gz HJEWACCTQRPVLP-HKUYNNGSSA-N 2 1 284.447 3.275 20 0 CGADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246544795 804393606 /nfs/dbraw/zinc/39/36/06/804393606.db2.gz ZEUKZMBQCVQKSW-KBPBESRZSA-N 2 1 278.827 3.011 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246545292 804393630 /nfs/dbraw/zinc/39/36/30/804393630.db2.gz ATSGZOZVMXVIAK-GPANFISMSA-N 2 1 270.436 3.354 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246547392 804394625 /nfs/dbraw/zinc/39/46/25/804394625.db2.gz HYPQPSOMKBIJNU-ZFWWWQNUSA-N 2 1 256.409 3.108 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@](F)(C[NH3+])CC1)C2 ZINC001246547304 804395634 /nfs/dbraw/zinc/39/56/34/804395634.db2.gz HRYFDWJMMVJXIS-SJLPKXTDSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@H]1C[N@H+](C2CCC3(CCCCC3)CC2)C[C@H]1C[NH3+] ZINC001246550768 804400646 /nfs/dbraw/zinc/40/06/46/804400646.db2.gz XBXMMLNRAKCPCE-LSDHHAIUSA-N 2 1 264.457 3.406 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552980 804402908 /nfs/dbraw/zinc/40/29/08/804402908.db2.gz QLCDPZNAYYFKAK-IRXDYDNUSA-N 2 1 260.425 3.211 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)C[C@@H](C)C1 ZINC001246554580 804404157 /nfs/dbraw/zinc/40/41/57/804404157.db2.gz BLZNPGDUTYFEFQ-LEOABGAYSA-N 2 1 252.446 3.118 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246557655 804405896 /nfs/dbraw/zinc/40/58/96/804405896.db2.gz NAPIQBCSQSQYCX-ROKHWSDSSA-N 2 1 274.399 3.117 20 0 CGADMP C[C@H]1CC[N@H+](C2CC(C)(C)OC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246558135 804405924 /nfs/dbraw/zinc/40/59/24/804405924.db2.gz MEFJBUDRHBAHEX-KBPBESRZSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC(C(F)(F)F)CC2)CC[C@H]1C[NH3+] ZINC001246561479 804409457 /nfs/dbraw/zinc/40/94/57/804409457.db2.gz TWGNKDJBOIAALO-FEPKRQSRSA-N 2 1 292.389 3.414 20 0 CGADMP CCCOC1CCC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246562009 804411834 /nfs/dbraw/zinc/41/18/34/804411834.db2.gz VHFIODQQOGSAHT-NUWOQIAWSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246562893 804411984 /nfs/dbraw/zinc/41/19/84/804411984.db2.gz ICNBALKXHZMYBC-IPYPFGDCSA-N 2 1 280.843 3.330 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](F)C2)CC[NH2+]1 ZINC001246565102 804414384 /nfs/dbraw/zinc/41/43/84/804414384.db2.gz ABHVUEYPQJWMOY-RRFJBIMHSA-N 2 1 256.409 3.121 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](F)C2)CC[NH2+]1 ZINC001246565102 804414388 /nfs/dbraw/zinc/41/43/88/804414388.db2.gz ABHVUEYPQJWMOY-RRFJBIMHSA-N 2 1 256.409 3.121 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246569361 804417091 /nfs/dbraw/zinc/41/70/91/804417091.db2.gz CFLHLJIRAOEZKC-FZKCQIBNSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@]1(F)CCCC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246571635 804419678 /nfs/dbraw/zinc/41/96/78/804419678.db2.gz FARMXKGETCPWRW-JYJNAYRXSA-N 2 1 268.420 3.123 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575813 804422854 /nfs/dbraw/zinc/42/28/54/804422854.db2.gz IZHRMRINMAVFKC-SOUVJXGZSA-N 2 1 258.425 3.354 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575813 804422856 /nfs/dbraw/zinc/42/28/56/804422856.db2.gz IZHRMRINMAVFKC-SOUVJXGZSA-N 2 1 258.425 3.354 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C[C@@H](C)C1 ZINC001246578795 804424868 /nfs/dbraw/zinc/42/48/68/804424868.db2.gz CEVDKRSIEQPDSC-JJXSEGSLSA-N 2 1 252.446 3.262 20 0 CGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246581647 804426108 /nfs/dbraw/zinc/42/61/08/804426108.db2.gz ZNXHMUMKYTVXTQ-YJBOKZPZSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246595056 804435410 /nfs/dbraw/zinc/43/54/10/804435410.db2.gz XLCWKLBPCVKJPZ-HZSPNIEDSA-N 2 1 296.455 3.366 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246599053 804438699 /nfs/dbraw/zinc/43/86/99/804438699.db2.gz AFGQXSXLGPBOQE-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@@]34CCC[NH2+]C4)C2)cc1 ZINC001246600423 804438896 /nfs/dbraw/zinc/43/88/96/804438896.db2.gz FZUBVLYYQTYLKV-FGTMMUONSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@]34CCC[NH2+]C4)C2)cc1 ZINC001246600423 804438897 /nfs/dbraw/zinc/43/88/97/804438897.db2.gz FZUBVLYYQTYLKV-FGTMMUONSA-N 2 1 270.420 3.151 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001246600181 804438918 /nfs/dbraw/zinc/43/89/18/804438918.db2.gz FJZKXFPFPUNYBT-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001246600181 804438919 /nfs/dbraw/zinc/43/89/19/804438919.db2.gz FJZKXFPFPUNYBT-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246601765 804439281 /nfs/dbraw/zinc/43/92/81/804439281.db2.gz GRFFMJUDYUIXDC-FUHWJXTLSA-N 2 1 272.436 3.002 20 0 CGADMP C1[NH+](C2CCC3(CCCCC3)CC2)CC12CC[NH2+]C2 ZINC001246613520 804446338 /nfs/dbraw/zinc/44/63/38/804446338.db2.gz LDEJNYFPMLTRNE-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)C[C@H](C)C1 ZINC001246616284 804449825 /nfs/dbraw/zinc/44/98/25/804449825.db2.gz VDOGFEKNIKNOAB-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CC[C@@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246616469 804450074 /nfs/dbraw/zinc/45/00/74/804450074.db2.gz WRSXONNAFROVFT-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246618366 804452617 /nfs/dbraw/zinc/45/26/17/804452617.db2.gz KHFPSWZBOKUIND-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246618366 804452620 /nfs/dbraw/zinc/45/26/20/804452620.db2.gz KHFPSWZBOKUIND-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC001246617713 804452648 /nfs/dbraw/zinc/45/26/48/804452648.db2.gz DSKKEMWBBGBFIJ-HOCLYGCPSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C[C@@H]1C ZINC001246619845 804453960 /nfs/dbraw/zinc/45/39/60/804453960.db2.gz IVJXHBPZVXLXMN-UGUYLWEFSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624945 804457198 /nfs/dbraw/zinc/45/71/98/804457198.db2.gz PZFWBMSSBVKBNT-GOEBONIOSA-N 2 1 252.446 3.131 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246627295 804458644 /nfs/dbraw/zinc/45/86/44/804458644.db2.gz IYAUAUKODYEHLY-QYZOEREBSA-N 2 1 284.447 3.398 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246630551 804460086 /nfs/dbraw/zinc/46/00/86/804460086.db2.gz PHCAGPNWJWHYBQ-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001246629023 804460097 /nfs/dbraw/zinc/46/00/97/804460097.db2.gz MOMVLZZBHLIKCO-QRQLOZEOSA-N 2 1 286.463 3.248 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246629698 804460754 /nfs/dbraw/zinc/46/07/54/804460754.db2.gz HHYSBLJPTOHVCY-IAGOWNOFSA-N 2 1 270.420 3.008 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631851 804462538 /nfs/dbraw/zinc/46/25/38/804462538.db2.gz SVQJURSGHIVGQF-WBMJQRKESA-N 2 1 296.817 3.096 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631851 804462540 /nfs/dbraw/zinc/46/25/40/804462540.db2.gz SVQJURSGHIVGQF-WBMJQRKESA-N 2 1 296.817 3.096 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632276 804462891 /nfs/dbraw/zinc/46/28/91/804462891.db2.gz WMILCPURZQSEAH-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)C[C@@H]21 ZINC001246633253 804463703 /nfs/dbraw/zinc/46/37/03/804463703.db2.gz KZHNROWGSWEQCR-JYYAWHABSA-N 2 1 262.441 3.029 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)C[C@@H]21 ZINC001246633253 804463706 /nfs/dbraw/zinc/46/37/06/804463706.db2.gz KZHNROWGSWEQCR-JYYAWHABSA-N 2 1 262.441 3.029 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246633155 804463973 /nfs/dbraw/zinc/46/39/73/804463973.db2.gz DXKMTZDMBUETIS-CADBVGFASA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246633155 804463974 /nfs/dbraw/zinc/46/39/74/804463974.db2.gz DXKMTZDMBUETIS-CADBVGFASA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633375 804464490 /nfs/dbraw/zinc/46/44/90/804464490.db2.gz DHGHFTPHPPLPAL-QZTJIDSGSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633375 804464496 /nfs/dbraw/zinc/46/44/96/804464496.db2.gz DHGHFTPHPPLPAL-QZTJIDSGSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246634679 804464605 /nfs/dbraw/zinc/46/46/05/804464605.db2.gz AOZUEHCJBNRLAL-XMTFNYHQSA-N 2 1 270.420 3.149 20 0 CGADMP CCCC1CCC([N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001246636019 804465857 /nfs/dbraw/zinc/46/58/57/804465857.db2.gz KAJUUBNUIRMCEU-DAWZGUTISA-N 2 1 294.483 3.047 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246636639 804466276 /nfs/dbraw/zinc/46/62/76/804466276.db2.gz DFHRDHGFQHBHIJ-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246640564 804467504 /nfs/dbraw/zinc/46/75/04/804467504.db2.gz VMJBSCPLIOOFII-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246641087 804469036 /nfs/dbraw/zinc/46/90/36/804469036.db2.gz UPWGAGXLVPIJJE-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C1 ZINC001246644513 804472716 /nfs/dbraw/zinc/47/27/16/804472716.db2.gz JZPGSJRZZJQSMP-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C1CCC([N@H+]2CCCC23CC[NH2+]CC3)CC1 ZINC001246647771 804475035 /nfs/dbraw/zinc/47/50/35/804475035.db2.gz UCOOFYVOHKQYAF-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246648504 804475473 /nfs/dbraw/zinc/47/54/73/804475473.db2.gz QGQGOGSJMYYXLM-XHSDSOJGSA-N 2 1 290.476 3.017 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)C2)cc1 ZINC001246653839 804479898 /nfs/dbraw/zinc/47/98/98/804479898.db2.gz AGIJDSKXOGONRD-MANSERQUSA-N 2 1 284.447 3.397 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656831 804482106 /nfs/dbraw/zinc/48/21/06/804482106.db2.gz NWTKSPNBVRPJPW-MJBXVCDLSA-N 2 1 292.389 3.429 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246659010 804483902 /nfs/dbraw/zinc/48/39/02/804483902.db2.gz QEGIBBRPAHOUCS-SQNIBIBYSA-N 2 1 272.436 3.082 20 0 CGADMP [NH3+][C@@]12C[C@@H]1CC[N@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246664296 804486517 /nfs/dbraw/zinc/48/65/17/804486517.db2.gz YGPOSJQEJUDMMP-XMTFNYHQSA-N 2 1 270.420 3.136 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001246667780 804488424 /nfs/dbraw/zinc/48/84/24/804488424.db2.gz VHMHUBSWSGHILI-CGTJXYLNSA-N 2 1 272.436 3.129 20 0 CGADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](C2CCCC2)CC3)cc1 ZINC001246672616 804489263 /nfs/dbraw/zinc/48/92/63/804489263.db2.gz MKPWZIOCLDGOIM-PKOBYXMFSA-N 2 1 284.447 3.182 20 0 CGADMP C1[C@@H]2C[NH2+]CC[C@@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246671730 804489543 /nfs/dbraw/zinc/48/95/43/804489543.db2.gz HLEWAEANERBAAY-HOCLYGCPSA-N 2 1 262.441 3.173 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001246677930 804493256 /nfs/dbraw/zinc/49/32/56/804493256.db2.gz KZVLXYYXBWHNBC-LSDHHAIUSA-N 2 1 290.476 3.017 20 0 CGADMP C1CC12CCC([N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CC2 ZINC001246679457 804494766 /nfs/dbraw/zinc/49/47/66/804494766.db2.gz XSNOKRRXDGTZKY-HOTGVXAUSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1 ZINC001246683447 804495393 /nfs/dbraw/zinc/49/53/93/804495393.db2.gz JYIIWNJTSCLITO-AITUJVMLSA-N 2 1 284.447 3.254 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246692210 804499226 /nfs/dbraw/zinc/49/92/26/804499226.db2.gz NBFNJSNSPUMTGC-JONQDZQNSA-N 2 1 270.436 3.225 20 0 CGADMP CC[C@@H]1CC([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)C[C@@H](CC)[NH2+]1 ZINC001246726424 804500496 /nfs/dbraw/zinc/50/04/96/804500496.db2.gz DDGAHNYDKHDMOE-KONPQCLYSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246770311 804502239 /nfs/dbraw/zinc/50/22/39/804502239.db2.gz QAOQKQOAIMQQFT-SJORKVTESA-N 2 1 260.425 3.203 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246770685 804502391 /nfs/dbraw/zinc/50/23/91/804502391.db2.gz QZTGURCWJRHUDC-JWTNVVGKSA-N 2 1 270.420 3.348 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246770804 804503591 /nfs/dbraw/zinc/50/35/91/804503591.db2.gz SMMDPTLPRDDNSJ-BJWYYQGGSA-N 2 1 290.451 3.436 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC001246774242 804504408 /nfs/dbraw/zinc/50/44/08/804504408.db2.gz DVNPEBCOKAGCBZ-DLBZAZTESA-N 2 1 290.451 3.308 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246773630 804504438 /nfs/dbraw/zinc/50/44/38/804504438.db2.gz BVVVPSIVUFGVFK-RYQLBKOJSA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246771781 804504861 /nfs/dbraw/zinc/50/48/61/804504861.db2.gz ZNBCHHKRELNIDQ-KRWDZBQOSA-N 2 1 272.436 3.431 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246775791 804505187 /nfs/dbraw/zinc/50/51/87/804505187.db2.gz LFQDWBMDOOVJGG-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246779249 804506632 /nfs/dbraw/zinc/50/66/32/804506632.db2.gz QXCSGBRPHFSCTL-MVJTYMMSSA-N 2 1 272.436 3.395 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246781081 804507426 /nfs/dbraw/zinc/50/74/26/804507426.db2.gz XJKHSTNQARQSAN-IRXDYDNUSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@@H+](CCOc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246780382 804508575 /nfs/dbraw/zinc/50/85/75/804508575.db2.gz MASDULSKIVYFRR-RDJZCZTQSA-N 2 1 290.451 3.164 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2cccs2)C[C@H](CC)[NH2+]1 ZINC001246783613 804510152 /nfs/dbraw/zinc/51/01/52/804510152.db2.gz PMESBNDDQLWEFL-WDNDVIMCSA-N 2 1 266.454 3.489 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cccs2)C[C@H](CC)[NH2+]1 ZINC001246783613 804510158 /nfs/dbraw/zinc/51/01/58/804510158.db2.gz PMESBNDDQLWEFL-WDNDVIMCSA-N 2 1 266.454 3.489 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246791065 804512826 /nfs/dbraw/zinc/51/28/26/804512826.db2.gz JEELNKAYQWBSFF-CPUCHLNUSA-N 2 1 288.435 3.361 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246790535 804513276 /nfs/dbraw/zinc/51/32/76/804513276.db2.gz HETPDDACUSGLRL-GOSISDBHSA-N 2 1 286.463 3.473 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246790452 804514287 /nfs/dbraw/zinc/51/42/87/804514287.db2.gz GBGHCQYQEYUVFV-ZCNNSNEGSA-N 2 1 298.474 3.473 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001246791427 804515985 /nfs/dbraw/zinc/51/59/85/804515985.db2.gz YOEHZDWBCOPMGH-SWLSCSKDSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001246791427 804515992 /nfs/dbraw/zinc/51/59/92/804515992.db2.gz YOEHZDWBCOPMGH-SWLSCSKDSA-N 2 1 266.816 3.475 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246794060 804516980 /nfs/dbraw/zinc/51/69/80/804516980.db2.gz YNFFTLWXVCVYBR-DLBZAZTESA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246795507 804517055 /nfs/dbraw/zinc/51/70/55/804517055.db2.gz FLFISQUZHUYMBC-SFHVURJKSA-N 2 1 274.452 3.472 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001140803240 804520975 /nfs/dbraw/zinc/52/09/75/804520975.db2.gz MDDUDSVFBCJMLH-QGZVFWFLSA-N 2 1 278.359 3.295 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001140803240 804520980 /nfs/dbraw/zinc/52/09/80/804520980.db2.gz MDDUDSVFBCJMLH-QGZVFWFLSA-N 2 1 278.359 3.295 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001246799289 804522261 /nfs/dbraw/zinc/52/22/61/804522261.db2.gz XRIBJQOISQRVES-ZDUSSCGKSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@H]2C(C)(C)OC)C[C@@H](CC)[NH2+]1 ZINC001246811741 804529326 /nfs/dbraw/zinc/52/93/26/804529326.db2.gz WCODAHIXYVUUGF-FMKPAKJESA-N 2 1 282.472 3.185 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246814419 804530128 /nfs/dbraw/zinc/53/01/28/804530128.db2.gz PBUIHIOIZCTRON-QZTJIDSGSA-N 2 1 274.452 3.246 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C)CCc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246814181 804530610 /nfs/dbraw/zinc/53/06/10/804530610.db2.gz ODWMUTZYKXSNJP-JKSUJKDBSA-N 2 1 280.843 3.345 20 0 CGADMP C1C[C@@H]2CCC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)[C@H]2C1 ZINC001246821633 804534867 /nfs/dbraw/zinc/53/48/67/804534867.db2.gz TVGDSAOCKGOCKD-WCXIOVBPSA-N 2 1 262.441 3.173 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828121 804538255 /nfs/dbraw/zinc/53/82/55/804538255.db2.gz XMBSRPNCFSLDQW-FVCCEPFGSA-N 2 1 280.378 3.413 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828121 804538258 /nfs/dbraw/zinc/53/82/58/804538258.db2.gz XMBSRPNCFSLDQW-FVCCEPFGSA-N 2 1 280.378 3.413 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246828119 804538343 /nfs/dbraw/zinc/53/83/43/804538343.db2.gz XLUJYHRXJLCFSZ-KRWDZBQOSA-N 2 1 288.410 3.106 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246825591 804538545 /nfs/dbraw/zinc/53/85/45/804538545.db2.gz VVIHICFFAPZNNZ-IRXDYDNUSA-N 2 1 292.442 3.467 20 0 CGADMP C1C[NH2+]CC2(C1)CCC([N@H+]1C[C@@H]3CCC[C@@H](C3)C1)CC2 ZINC001246834902 804543876 /nfs/dbraw/zinc/54/38/76/804543876.db2.gz RFDPAOSNMYRALB-OQSMONGASA-N 2 1 276.468 3.421 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246838334 804546485 /nfs/dbraw/zinc/54/64/85/804546485.db2.gz GZQSYDDOMIOFBV-GASCZTMLSA-N 2 1 264.457 3.277 20 0 CGADMP COCCC[N@@H+]([C@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001246837499 804546524 /nfs/dbraw/zinc/54/65/24/804546524.db2.gz USUZNWFPECNNKE-MRXNPFEDSA-N 2 1 282.472 3.212 20 0 CGADMP CCCCCC[C@@H](C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246838449 804546768 /nfs/dbraw/zinc/54/67/68/804546768.db2.gz XWFHYRNZTIECIG-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246840661 804548415 /nfs/dbraw/zinc/54/84/15/804548415.db2.gz PGGODZJQKUPNOM-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840128 804548678 /nfs/dbraw/zinc/54/86/78/804548678.db2.gz FFXIPCCFCYYSGH-DGADGQDISA-N 2 1 252.446 3.260 20 0 CGADMP CCC(CC)[N@@H+](CC)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246840743 804549934 /nfs/dbraw/zinc/54/99/34/804549934.db2.gz POICNPISSSLJFA-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246844405 804551931 /nfs/dbraw/zinc/55/19/31/804551931.db2.gz JAMIXJYMMAIEMN-GBESFXJTSA-N 2 1 286.463 3.185 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246844629 804554851 /nfs/dbraw/zinc/55/48/51/804554851.db2.gz ZTJNUXHEACYEFP-GUYCJALGSA-N 2 1 292.854 3.129 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CC[C@H](C3CCCCC3)C1)CC2 ZINC001246847092 804555774 /nfs/dbraw/zinc/55/57/74/804555774.db2.gz ISIJDOJBPXNVRY-INIZCTEOSA-N 2 1 276.468 3.421 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246847228 804555821 /nfs/dbraw/zinc/55/58/21/804555821.db2.gz RGWJRJGBAJYZEU-JONQDZQNSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC2(C)C)C[C@H](CC)[NH2+]1 ZINC001246847318 804557011 /nfs/dbraw/zinc/55/70/11/804557011.db2.gz SWXHINZKHSQRTG-XQLPTFJDSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001246855149 804563421 /nfs/dbraw/zinc/56/34/21/804563421.db2.gz VGDLRLGQRUWCHT-GXTWGEPZSA-N 2 1 266.816 3.127 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001246854697 804564087 /nfs/dbraw/zinc/56/40/87/804564087.db2.gz QQHNXBZYYIWFMC-RHSMWYFYSA-N 2 1 262.441 3.303 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC001246859926 804565633 /nfs/dbraw/zinc/56/56/33/804565633.db2.gz MTCYMLJVZHWQCT-RDJZCZTQSA-N 2 1 258.409 3.182 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861338 804566028 /nfs/dbraw/zinc/56/60/28/804566028.db2.gz AVQCRVNMAGUEID-ONYGOOLBSA-N 2 1 270.420 3.279 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246862858 804567414 /nfs/dbraw/zinc/56/74/14/804567414.db2.gz DWPZNTQJJQUANX-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867328 804569539 /nfs/dbraw/zinc/56/95/39/804569539.db2.gz OAWLIKSLWPATPA-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246866519 804570205 /nfs/dbraw/zinc/57/02/05/804570205.db2.gz KSFGWXHCXXNVGW-DOTOQJQBSA-N 2 1 270.420 3.138 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](Cc2ccccc2)CC(C)C)C1 ZINC001246864929 804570476 /nfs/dbraw/zinc/57/04/76/804570476.db2.gz QHBWRDXYMCKARF-QZTJIDSGSA-N 2 1 274.452 3.185 20 0 CGADMP CC1(C)C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246869476 804570996 /nfs/dbraw/zinc/57/09/96/804570996.db2.gz HIGDXDJGMPKDCX-FVQHAEBGSA-N 2 1 284.447 3.453 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3C[C@H]2C)CC[NH2+]1 ZINC001246875286 804574520 /nfs/dbraw/zinc/57/45/20/804574520.db2.gz ZWJKQDQGDKMKLV-JLSDUUJJSA-N 2 1 272.436 3.210 20 0 CGADMP CC[C@@H]1CC([NH+]2CC3CCC(CC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246882335 804578678 /nfs/dbraw/zinc/57/86/78/804578678.db2.gz MTSMWKWONXSQHT-QDIHITRGSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC001246890972 804583012 /nfs/dbraw/zinc/58/30/12/804583012.db2.gz IGHNQBMCSZRZQL-SCAQPMJSSA-N 2 1 274.452 3.469 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246899339 804586392 /nfs/dbraw/zinc/58/63/92/804586392.db2.gz DOFUCECOOGIELT-RDTXWAMCSA-N 2 1 283.419 3.447 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)CC[NH2+]C ZINC001246902247 804588515 /nfs/dbraw/zinc/58/85/15/804588515.db2.gz CDIKGPIBFKITSO-GFCCVEGCSA-N 2 1 254.805 3.160 20 0 CGADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246905217 804589539 /nfs/dbraw/zinc/58/95/39/804589539.db2.gz AGEXYOHBLKEBAU-KKUMJFAQSA-N 2 1 292.854 3.399 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)CCc2cccc(F)c2)CC[NH2+]1 ZINC001246911140 804594935 /nfs/dbraw/zinc/59/49/35/804594935.db2.gz OBVBEQVHTRNUBW-DLBZAZTESA-N 2 1 278.415 3.077 20 0 CGADMP CCCCCC(CCCCC)[N@@H+]1C[C@H]2C[NH2+][C@H]2C1 ZINC001246919243 804599970 /nfs/dbraw/zinc/59/99/70/804599970.db2.gz FXKXTRKHJGPKHT-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1C[C@H]2C[NH2+][C@H]2C1 ZINC001246919243 804599974 /nfs/dbraw/zinc/59/99/74/804599974.db2.gz FXKXTRKHJGPKHT-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C1CC[C@H]2[C@H](C1)CCC[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246919075 804601183 /nfs/dbraw/zinc/60/11/83/804601183.db2.gz IQZFWTSUTHESPQ-UUAJXVIYSA-N 2 1 262.441 3.314 20 0 CGADMP C1CC[C@H]2[C@H](C1)CCC[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246919075 804601186 /nfs/dbraw/zinc/60/11/86/804601186.db2.gz IQZFWTSUTHESPQ-UUAJXVIYSA-N 2 1 262.441 3.314 20 0 CGADMP CCCCCC[C@@H](C)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927152 804604001 /nfs/dbraw/zinc/60/40/01/804604001.db2.gz GKQNJFHEQFEXNM-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCCC[C@@H](C)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927152 804604004 /nfs/dbraw/zinc/60/40/04/804604004.db2.gz GKQNJFHEQFEXNM-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246930350 804605767 /nfs/dbraw/zinc/60/57/67/804605767.db2.gz IXIYKZBFOKRJNC-TWMKSMIVSA-N 2 1 266.473 3.379 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246929335 804605866 /nfs/dbraw/zinc/60/58/66/804605866.db2.gz FBQVNKWSUFLUSD-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246933654 804606595 /nfs/dbraw/zinc/60/65/95/804606595.db2.gz ADGDYGKMZMDXGI-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CCc1ccc(C)cc1 ZINC001246935292 804607249 /nfs/dbraw/zinc/60/72/49/804607249.db2.gz GORNAETXXVZEBU-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP CCC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246935617 804608915 /nfs/dbraw/zinc/60/89/15/804608915.db2.gz GPHMWAJSLBZXRL-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246950232 804615789 /nfs/dbraw/zinc/61/57/89/804615789.db2.gz WELPCQNNEYOIAE-LISQQWEMSA-N 2 1 264.457 3.131 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246964957 804619551 /nfs/dbraw/zinc/61/95/51/804619551.db2.gz DPEAKLKZURCGHF-OALUTQOASA-N 2 1 284.447 3.275 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246967989 804621318 /nfs/dbraw/zinc/62/13/18/804621318.db2.gz QFCPDIOYWSQUSH-QZTJIDSGSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246975701 804624058 /nfs/dbraw/zinc/62/40/58/804624058.db2.gz OECJMMZXZDBTKC-DDFXLWFNSA-N 2 1 296.817 3.079 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246978656 804625831 /nfs/dbraw/zinc/62/58/31/804625831.db2.gz ITKYIBILHJWXNN-YSTOQKLRSA-N 2 1 298.474 3.329 20 0 CGADMP CC(C)CC[C@H](C)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246977751 804626036 /nfs/dbraw/zinc/62/60/36/804626036.db2.gz QTJJAFHTIQWLFJ-AWEZNQCLSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247000770 804634286 /nfs/dbraw/zinc/63/42/86/804634286.db2.gz IKZBUUFGPFRAPR-LRDDRELGSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247000770 804634290 /nfs/dbraw/zinc/63/42/90/804634290.db2.gz IKZBUUFGPFRAPR-LRDDRELGSA-N 2 1 298.833 3.471 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC001247002169 804635647 /nfs/dbraw/zinc/63/56/47/804635647.db2.gz SBIOWFUVXSPPIM-BPQIPLTHSA-N 2 1 272.436 3.382 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012565 804640729 /nfs/dbraw/zinc/64/07/29/804640729.db2.gz FKEMLENBEMZSIF-KSZLIROESA-N 2 1 272.436 3.082 20 0 CGADMP C1C[NH2+][C@H]2CC[N@@H+](C3CCCCCCC3)C[C@@H]2C1 ZINC001247016162 804642736 /nfs/dbraw/zinc/64/27/36/804642736.db2.gz SCGVCPBLAWWNRA-HOCLYGCPSA-N 2 1 250.430 3.173 20 0 CGADMP C1C[NH2+][C@H]2CC[N@H+](C3CCCCCCC3)C[C@@H]2C1 ZINC001247016162 804642738 /nfs/dbraw/zinc/64/27/38/804642738.db2.gz SCGVCPBLAWWNRA-HOCLYGCPSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1coc2ccc(F)cc12 ZINC001141852812 804674621 /nfs/dbraw/zinc/67/46/21/804674621.db2.gz RXDLZWMPWXFGRG-UHFFFAOYSA-N 2 1 290.382 3.490 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1coc2ccc(F)cc12 ZINC001141852812 804674622 /nfs/dbraw/zinc/67/46/22/804674622.db2.gz RXDLZWMPWXFGRG-UHFFFAOYSA-N 2 1 290.382 3.490 20 0 CGADMP CCCc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC001142367042 804719843 /nfs/dbraw/zinc/71/98/43/804719843.db2.gz DNGFVHRRMVKCQF-UHFFFAOYSA-N 2 1 262.441 3.413 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC001249459536 805153675 /nfs/dbraw/zinc/15/36/75/805153675.db2.gz YWVLAWDYXPBVPN-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC001249459536 805153678 /nfs/dbraw/zinc/15/36/78/805153678.db2.gz YWVLAWDYXPBVPN-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC001249458868 805154172 /nfs/dbraw/zinc/15/41/72/805154172.db2.gz UGKZMHIBKBQNOA-UHFFFAOYSA-N 2 1 284.447 3.234 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC001249458868 805154176 /nfs/dbraw/zinc/15/41/76/805154176.db2.gz UGKZMHIBKBQNOA-UHFFFAOYSA-N 2 1 284.447 3.234 20 0 CGADMP COc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]c2ccccc21 ZINC001155028932 805526153 /nfs/dbraw/zinc/52/61/53/805526153.db2.gz DVRKBQHXRFOKDX-KGLIPLIRSA-N 2 1 299.418 3.291 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001257101161 807052703 /nfs/dbraw/zinc/05/27/03/807052703.db2.gz AAODBPJDBHKBAI-SCAQPMJSSA-N 2 1 282.472 3.139 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](c2ccnc(F)c2)C2CC2)CC1 ZINC001257212457 807063151 /nfs/dbraw/zinc/06/31/51/807063151.db2.gz VTMIPQHAERQRTC-QGZVFWFLSA-N 2 1 291.414 3.134 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001257218555 807064990 /nfs/dbraw/zinc/06/49/90/807064990.db2.gz UQYMUIIDCUQCAB-INIZCTEOSA-N 2 1 290.426 3.488 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001257218555 807064995 /nfs/dbraw/zinc/06/49/95/807064995.db2.gz UQYMUIIDCUQCAB-INIZCTEOSA-N 2 1 290.426 3.488 20 0 CGADMP CC(C)[NH+]1CCC(CNc2cc3[nH+]c[nH]c3cc2F)CC1 ZINC001166635378 807073864 /nfs/dbraw/zinc/07/38/64/807073864.db2.gz CTTNSRYSTQDJMH-UHFFFAOYSA-N 2 1 290.386 3.234 20 0 CGADMP CCC(CC)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257291093 807088699 /nfs/dbraw/zinc/08/86/99/807088699.db2.gz FMNCARDCTYLSPS-JCNLHEQBSA-N 2 1 275.440 3.342 20 0 CGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001257505661 807184643 /nfs/dbraw/zinc/18/46/43/807184643.db2.gz XJVNREGRWOXNEV-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001257505661 807184644 /nfs/dbraw/zinc/18/46/44/807184644.db2.gz XJVNREGRWOXNEV-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001167839950 807259927 /nfs/dbraw/zinc/25/99/27/807259927.db2.gz CVFACSIBSSHJMG-MRXNPFEDSA-N 3 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@H+](C)C2CC2)CC1 ZINC001167839950 807259931 /nfs/dbraw/zinc/25/99/31/807259931.db2.gz CVFACSIBSSHJMG-MRXNPFEDSA-N 2 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001167839950 807259937 /nfs/dbraw/zinc/25/99/37/807259937.db2.gz CVFACSIBSSHJMG-MRXNPFEDSA-N 2 1 295.515 3.056 20 0 CGADMP CC[C@@H]1CCC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258016828 807267021 /nfs/dbraw/zinc/26/70/21/807267021.db2.gz MINYCXSPFGNQHK-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001258053198 807279437 /nfs/dbraw/zinc/27/94/37/807279437.db2.gz UYFWKJBMMGFMDM-HRCADAONSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001258053200 807279625 /nfs/dbraw/zinc/27/96/25/807279625.db2.gz UYFWKJBMMGFMDM-XHSDSOJGSA-N 2 1 254.462 3.379 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167950466 807281689 /nfs/dbraw/zinc/28/16/89/807281689.db2.gz BXWUMYQOMJRCNG-AKHDSKFASA-N 2 1 284.447 3.239 20 0 CGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167950466 807281693 /nfs/dbraw/zinc/28/16/93/807281693.db2.gz BXWUMYQOMJRCNG-AKHDSKFASA-N 2 1 284.447 3.239 20 0 CGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167950466 807281696 /nfs/dbraw/zinc/28/16/96/807281696.db2.gz BXWUMYQOMJRCNG-AKHDSKFASA-N 2 1 284.447 3.239 20 0 CGADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068890 807287512 /nfs/dbraw/zinc/28/75/12/807287512.db2.gz GGJCWEXSWUKHAM-ZJPYXAASSA-N 2 1 296.499 3.100 20 0 CGADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068890 807287518 /nfs/dbraw/zinc/28/75/18/807287518.db2.gz GGJCWEXSWUKHAM-ZJPYXAASSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068890 807287524 /nfs/dbraw/zinc/28/75/24/807287524.db2.gz GGJCWEXSWUKHAM-ZJPYXAASSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068890 807287526 /nfs/dbraw/zinc/28/75/26/807287526.db2.gz GGJCWEXSWUKHAM-ZJPYXAASSA-N 2 1 296.499 3.100 20 0 CGADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccn1 ZINC001167970982 807287957 /nfs/dbraw/zinc/28/79/57/807287957.db2.gz RJNFIWOKFBVHPK-ALOPSCKCSA-N 2 1 299.462 3.312 20 0 CGADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccn1 ZINC001167970982 807287962 /nfs/dbraw/zinc/28/79/62/807287962.db2.gz RJNFIWOKFBVHPK-ALOPSCKCSA-N 2 1 299.462 3.312 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCCC13CC3)C2 ZINC001167984756 807289973 /nfs/dbraw/zinc/28/99/73/807289973.db2.gz QVWNJOXZIOCNPI-XYPWUTKMSA-N 2 1 260.425 3.020 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCCC13CC3)C2 ZINC001167984756 807289977 /nfs/dbraw/zinc/28/99/77/807289977.db2.gz QVWNJOXZIOCNPI-XYPWUTKMSA-N 2 1 260.425 3.020 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258094969 807301580 /nfs/dbraw/zinc/30/15/80/807301580.db2.gz BQGKORGTRXQGMA-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258094969 807301586 /nfs/dbraw/zinc/30/15/86/807301586.db2.gz BQGKORGTRXQGMA-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258094969 807301592 /nfs/dbraw/zinc/30/15/92/807301592.db2.gz BQGKORGTRXQGMA-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258094968 807302617 /nfs/dbraw/zinc/30/26/17/807302617.db2.gz BQGKORGTRXQGMA-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258094968 807302626 /nfs/dbraw/zinc/30/26/26/807302626.db2.gz BQGKORGTRXQGMA-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258094968 807302635 /nfs/dbraw/zinc/30/26/35/807302635.db2.gz BQGKORGTRXQGMA-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP CC[C@H](C)[N@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144346 807319174 /nfs/dbraw/zinc/31/91/74/807319174.db2.gz SSSLFYGUVXHPDZ-INIZCTEOSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@H](C)[N@@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144346 807319181 /nfs/dbraw/zinc/31/91/81/807319181.db2.gz SSSLFYGUVXHPDZ-INIZCTEOSA-N 2 1 274.452 3.424 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH+]3C[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001258140643 807319471 /nfs/dbraw/zinc/31/94/71/807319471.db2.gz ALRHXMVIQBMOHK-RTBURBONSA-N 2 1 298.474 3.425 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001168170515 807334215 /nfs/dbraw/zinc/33/42/15/807334215.db2.gz MLDNAXRDQZQCHY-LBPRGKRZSA-N 2 1 277.799 3.232 20 0 CGADMP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001258185142 807349777 /nfs/dbraw/zinc/34/97/77/807349777.db2.gz LJVOSRUXWNTEJQ-GJZGRUSLSA-N 2 1 264.413 3.052 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)Cc2ccco2)CC1 ZINC001258187193 807351933 /nfs/dbraw/zinc/35/19/33/807351933.db2.gz CRNIVTWIGJOWEG-AWEZNQCLSA-N 2 1 299.418 3.153 20 0 CGADMP Cc1cccc2c1CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168314088 807379593 /nfs/dbraw/zinc/37/95/93/807379593.db2.gz JQLCVNKLYFRZCD-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP [NH3+]CC1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168340625 807388628 /nfs/dbraw/zinc/38/86/28/807388628.db2.gz AGSWDRKNVBYRFG-UHFFFAOYSA-N 2 1 278.827 3.447 20 0 CGADMP Cc1c(F)cccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168358793 807391575 /nfs/dbraw/zinc/39/15/75/807391575.db2.gz VLSPUXIGIGHCGA-UHFFFAOYSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(F)cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168358949 807391646 /nfs/dbraw/zinc/39/16/46/807391646.db2.gz ZHIJYLOKEPIZKX-UHFFFAOYSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cnc1Cl ZINC001168360816 807393080 /nfs/dbraw/zinc/39/30/80/807393080.db2.gz VYLQMEMWGIITDR-UHFFFAOYSA-N 2 1 293.842 3.007 20 0 CGADMP C[C@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)Cc2ccccc21 ZINC001168371012 807397002 /nfs/dbraw/zinc/39/70/02/807397002.db2.gz BNMDCHLYZFHPHF-HNNXBMFYSA-N 2 1 284.447 3.480 20 0 CGADMP CCCC[N@@H+](CCC)C1CC[NH+](CC2CC2)CC1 ZINC001168379537 807397606 /nfs/dbraw/zinc/39/76/06/807397606.db2.gz LSCBKARQJUNPED-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1cccc2c1CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168373346 807397937 /nfs/dbraw/zinc/39/79/37/807397937.db2.gz PHGXJVDXAAXKIR-UHFFFAOYSA-N 2 1 284.447 3.228 20 0 CGADMP Cc1cccc2c1CC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168373346 807397947 /nfs/dbraw/zinc/39/79/47/807397947.db2.gz PHGXJVDXAAXKIR-UHFFFAOYSA-N 2 1 284.447 3.228 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001258599401 807498108 /nfs/dbraw/zinc/49/81/08/807498108.db2.gz ADOWDVCHXGMQPB-GJZGRUSLSA-N 2 1 252.446 3.406 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001169089351 807571614 /nfs/dbraw/zinc/57/16/14/807571614.db2.gz BZWHVILWJGOOSG-OSYLJGHBSA-N 2 1 272.436 3.327 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169093890 807573680 /nfs/dbraw/zinc/57/36/80/807573680.db2.gz JRHZGBCRZBPFHO-MXASKKJJSA-N 2 1 258.409 3.271 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC1CCCC1)C2 ZINC001169098430 807575297 /nfs/dbraw/zinc/57/52/97/807575297.db2.gz HZSAWAMCDYUYIG-PHZGNYQRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)cc(F)c1 ZINC001169100045 807575373 /nfs/dbraw/zinc/57/53/73/807575373.db2.gz FFBIXCMTGMMCLK-HGGPSHQYSA-N 2 1 280.362 3.241 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC001169100045 807575376 /nfs/dbraw/zinc/57/53/76/807575376.db2.gz FFBIXCMTGMMCLK-HGGPSHQYSA-N 2 1 280.362 3.241 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)cc(F)c1 ZINC001169100046 807575722 /nfs/dbraw/zinc/57/57/22/807575722.db2.gz FFBIXCMTGMMCLK-KCXZSRPNSA-N 2 1 280.362 3.241 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC001169100046 807575724 /nfs/dbraw/zinc/57/57/24/807575724.db2.gz FFBIXCMTGMMCLK-KCXZSRPNSA-N 2 1 280.362 3.241 20 0 CGADMP CC(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169108325 807577641 /nfs/dbraw/zinc/57/76/41/807577641.db2.gz RCNMFISNEPBIQM-BIMQEMHKSA-N 2 1 286.419 3.165 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)nc1 ZINC001169120181 807582540 /nfs/dbraw/zinc/58/25/40/807582540.db2.gz ZEDKIPWBNGPLDO-KYHPRHEASA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001169120181 807582547 /nfs/dbraw/zinc/58/25/47/807582547.db2.gz ZEDKIPWBNGPLDO-KYHPRHEASA-N 2 1 285.435 3.056 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139493 807588262 /nfs/dbraw/zinc/58/82/62/807588262.db2.gz NSFDMHIROIWJRM-ZSHCYNCHSA-N 2 1 278.827 3.397 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139493 807588267 /nfs/dbraw/zinc/58/82/67/807588267.db2.gz NSFDMHIROIWJRM-ZSHCYNCHSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139493 807588268 /nfs/dbraw/zinc/58/82/68/807588268.db2.gz NSFDMHIROIWJRM-ZSHCYNCHSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139493 807588271 /nfs/dbraw/zinc/58/82/71/807588271.db2.gz NSFDMHIROIWJRM-ZSHCYNCHSA-N 2 1 278.827 3.397 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCc3ccccc3C1)C2 ZINC001169142813 807589882 /nfs/dbraw/zinc/58/98/82/807589882.db2.gz WDRVXDQEFQRORY-PIIMJCKOSA-N 2 1 270.420 3.060 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCc3ccccc3C1)C2 ZINC001169142813 807589888 /nfs/dbraw/zinc/58/98/88/807589888.db2.gz WDRVXDQEFQRORY-PIIMJCKOSA-N 2 1 270.420 3.060 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCc3ccccc3C1)C2 ZINC001169142813 807589894 /nfs/dbraw/zinc/58/98/94/807589894.db2.gz WDRVXDQEFQRORY-PIIMJCKOSA-N 2 1 270.420 3.060 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C1)CCCCC3)C2 ZINC001169160577 807597590 /nfs/dbraw/zinc/59/75/90/807597590.db2.gz IMLJBUDFNPLTDT-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC3(C1)CCCCC3)C2 ZINC001169160577 807597596 /nfs/dbraw/zinc/59/75/96/807597596.db2.gz IMLJBUDFNPLTDT-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC3(C1)CCCCC3)C2 ZINC001169160577 807597601 /nfs/dbraw/zinc/59/76/01/807597601.db2.gz IMLJBUDFNPLTDT-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](c2ncccc2C)C2CC2)CC1 ZINC001258766874 807602280 /nfs/dbraw/zinc/60/22/80/807602280.db2.gz HOUYVCPEDKMPTJ-SFHVURJKSA-N 2 1 287.451 3.305 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)COc2cc(C)cc(C)c2)CC1 ZINC001169220293 807607348 /nfs/dbraw/zinc/60/73/48/807607348.db2.gz JAONUKSASUAYAI-INIZCTEOSA-N 2 1 290.451 3.145 20 0 CGADMP CC[NH+]1CCC([NH2+]CCOc2cccc3ccccc32)CC1 ZINC001169230454 807609709 /nfs/dbraw/zinc/60/97/09/807609709.db2.gz BZCRPCDZLHUWIZ-UHFFFAOYSA-N 2 1 298.430 3.293 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001169255561 807615845 /nfs/dbraw/zinc/61/58/45/807615845.db2.gz SASHCVGJEDVALG-SFHVURJKSA-N 2 1 286.463 3.425 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001169255561 807615848 /nfs/dbraw/zinc/61/58/48/807615848.db2.gz SASHCVGJEDVALG-SFHVURJKSA-N 2 1 286.463 3.425 20 0 CGADMP CC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC)CC1 ZINC001169263857 807617524 /nfs/dbraw/zinc/61/75/24/807617524.db2.gz BVWZXWUGPWMAHD-UHFFFAOYSA-N 2 1 264.388 3.132 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC)CC1 ZINC001169263857 807617527 /nfs/dbraw/zinc/61/75/27/807617527.db2.gz BVWZXWUGPWMAHD-UHFFFAOYSA-N 2 1 264.388 3.132 20 0 CGADMP CC(C)C1CCC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001258804495 807624582 /nfs/dbraw/zinc/62/45/82/807624582.db2.gz PTVHCQMWLUODBP-GMRIPVOYSA-N 2 1 264.457 3.085 20 0 CGADMP CC(C)C1CCC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001258804495 807624586 /nfs/dbraw/zinc/62/45/86/807624586.db2.gz PTVHCQMWLUODBP-GMRIPVOYSA-N 2 1 264.457 3.085 20 0 CGADMP CC(C)C1CCC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC001258804495 807624590 /nfs/dbraw/zinc/62/45/90/807624590.db2.gz PTVHCQMWLUODBP-GMRIPVOYSA-N 2 1 264.457 3.085 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C(C)C)CC3)C[C@@H]2C1 ZINC001258805922 807625835 /nfs/dbraw/zinc/62/58/35/807625835.db2.gz DKTMDAMFZBOZOR-HPZPOOBXSA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC(C(C)C)CC3)C[C@@H]2C1 ZINC001258805922 807625840 /nfs/dbraw/zinc/62/58/40/807625840.db2.gz DKTMDAMFZBOZOR-HPZPOOBXSA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC(C(C)C)CC3)C[C@@H]2C1 ZINC001258805922 807625843 /nfs/dbraw/zinc/62/58/43/807625843.db2.gz DKTMDAMFZBOZOR-HPZPOOBXSA-N 2 1 264.457 3.085 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258832423 807648236 /nfs/dbraw/zinc/64/82/36/807648236.db2.gz VZGDQKUQNZQBQO-UHFFFAOYSA-N 3 1 285.520 3.050 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258832423 807648240 /nfs/dbraw/zinc/64/82/40/807648240.db2.gz VZGDQKUQNZQBQO-UHFFFAOYSA-N 3 1 285.520 3.050 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC001258897499 807667514 /nfs/dbraw/zinc/66/75/14/807667514.db2.gz LMNZGXXOPQVQFR-KRWDZBQOSA-N 3 1 285.520 3.205 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001258907142 807672311 /nfs/dbraw/zinc/67/23/11/807672311.db2.gz GMWCYDVUQFNDLO-ULQDDVLXSA-N 2 1 294.483 3.331 20 0 CGADMP Cc1c[nH+]c(NCC23CC[NH+](CC2)CC3)c2ccccc12 ZINC001169794709 807710181 /nfs/dbraw/zinc/71/01/81/807710181.db2.gz VTKWZCMMNLREDM-UHFFFAOYSA-N 2 1 281.403 3.441 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170122399 807767821 /nfs/dbraw/zinc/76/78/21/807767821.db2.gz QBMAJZOUXYMGDM-DKIMLUQUSA-N 2 1 287.451 3.342 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170153226 807777372 /nfs/dbraw/zinc/77/73/72/807777372.db2.gz OPYLHMZSZQAIEB-OQIJWPOYSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170153226 807777376 /nfs/dbraw/zinc/77/73/76/807777376.db2.gz OPYLHMZSZQAIEB-OQIJWPOYSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170153226 807777381 /nfs/dbraw/zinc/77/73/81/807777381.db2.gz OPYLHMZSZQAIEB-OQIJWPOYSA-N 2 1 284.447 3.239 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cc[nH+]cc2)C3)cc1 ZINC001170331050 807825871 /nfs/dbraw/zinc/82/58/71/807825871.db2.gz OVSVSKCTUXDZEO-LDLYASANSA-N 2 1 293.414 3.111 20 0 CGADMP CCCCCC[C@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001170589906 807861800 /nfs/dbraw/zinc/86/18/00/807861800.db2.gz CQGQTYDFTTZQHN-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170901527 807928057 /nfs/dbraw/zinc/92/80/57/807928057.db2.gz DKWAEOXYPQSMQY-YMAMQOFZSA-N 2 1 292.854 3.399 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171393380 808043829 /nfs/dbraw/zinc/04/38/29/808043829.db2.gz CCJXRRWWWYCLIK-ZBFHGGJFSA-N 2 1 290.426 3.005 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171459385 808065177 /nfs/dbraw/zinc/06/51/77/808065177.db2.gz PKJMSRFIGDZYCQ-YMAMQOFZSA-N 2 1 294.389 3.024 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccnc(Cl)c2)CC1(C)C ZINC001171613048 808105590 /nfs/dbraw/zinc/10/55/90/808105590.db2.gz FMBQCXMCNHPRTL-UHFFFAOYSA-N 2 1 295.858 3.476 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@](C)(CF)C2)CC1(C)C ZINC001171631245 808107948 /nfs/dbraw/zinc/10/79/48/808107948.db2.gz GMHWHTISIGITAN-MRXNPFEDSA-N 2 1 270.436 3.319 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(C2)CCCCO3)CC1(C)C ZINC001171631269 808108147 /nfs/dbraw/zinc/10/81/47/808108147.db2.gz GQBVCPITESTYMY-GOSISDBHSA-N 2 1 294.483 3.283 20 0 CGADMP C[N@@H+](CC1CCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171636533 808109311 /nfs/dbraw/zinc/10/93/11/808109311.db2.gz HMBSXFAEODLFCL-UHFFFAOYSA-N 2 1 252.446 3.370 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001171665160 808116825 /nfs/dbraw/zinc/11/68/25/808116825.db2.gz LDBJUESTQGHMKB-XYJFISCASA-N 2 1 274.452 3.246 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001171665160 808116829 /nfs/dbraw/zinc/11/68/29/808116829.db2.gz LDBJUESTQGHMKB-XYJFISCASA-N 2 1 274.452 3.246 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(F)c1F)C2 ZINC001172103138 808173727 /nfs/dbraw/zinc/17/37/27/808173727.db2.gz SKWCPNVAYSKEOH-ZSOGYDGISA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(F)c1F)C2 ZINC001172103138 808173732 /nfs/dbraw/zinc/17/37/32/808173732.db2.gz SKWCPNVAYSKEOH-ZSOGYDGISA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cccc(Cl)c1)C2 ZINC001172102716 808174034 /nfs/dbraw/zinc/17/40/34/808174034.db2.gz OKHYIWXIGPVBKP-OSYLJGHBSA-N 2 1 292.854 3.487 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1F ZINC001172102198 808174168 /nfs/dbraw/zinc/17/41/68/808174168.db2.gz KWLVKWUNSFGBLJ-PHZGNYQRSA-N 2 1 276.399 3.239 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3)CC1)C2 ZINC001172103162 808174901 /nfs/dbraw/zinc/17/49/01/808174901.db2.gz TXPCPJZPOKSEQP-NNZMDNLPSA-N 2 1 284.447 3.367 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3)CC1)C2 ZINC001172103162 808174903 /nfs/dbraw/zinc/17/49/03/808174903.db2.gz TXPCPJZPOKSEQP-NNZMDNLPSA-N 2 1 284.447 3.367 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001172102865 808175022 /nfs/dbraw/zinc/17/50/22/808175022.db2.gz PVWFVJSIJFZWCP-NXOAAHMSSA-N 2 1 287.451 3.446 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001172106463 808175635 /nfs/dbraw/zinc/17/56/35/808175635.db2.gz PAYMZQFXAWRSMI-JONQDZQNSA-N 2 1 273.424 3.138 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C2 ZINC001172107782 808177077 /nfs/dbraw/zinc/17/70/77/808177077.db2.gz CDQWAERMJFXMKC-ZQDZILKHSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C2 ZINC001172107782 808177079 /nfs/dbraw/zinc/17/70/79/808177079.db2.gz CDQWAERMJFXMKC-ZQDZILKHSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C2 ZINC001172112459 808178366 /nfs/dbraw/zinc/17/83/66/808178366.db2.gz XDEMUNHKICQMPV-LXTVHRRPSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C2 ZINC001172112459 808178371 /nfs/dbraw/zinc/17/83/71/808178371.db2.gz XDEMUNHKICQMPV-LXTVHRRPSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116405 808180724 /nfs/dbraw/zinc/18/07/24/808180724.db2.gz HHBLBTSXKQOFHM-RFBLXINOSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116405 808180727 /nfs/dbraw/zinc/18/07/27/808180727.db2.gz HHBLBTSXKQOFHM-RFBLXINOSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+](CCc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121332 808182202 /nfs/dbraw/zinc/18/22/02/808182202.db2.gz DORVHGCJKPKJRZ-QDMKHBRRSA-N 2 1 278.465 3.238 20 0 CGADMP C[N@@H+](CCc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121332 808182203 /nfs/dbraw/zinc/18/22/03/808182203.db2.gz DORVHGCJKPKJRZ-QDMKHBRRSA-N 2 1 278.465 3.238 20 0 CGADMP C[NH+](CCc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121332 808182206 /nfs/dbraw/zinc/18/22/06/808182206.db2.gz DORVHGCJKPKJRZ-QDMKHBRRSA-N 2 1 278.465 3.238 20 0 CGADMP C[NH+](CCc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121332 808182208 /nfs/dbraw/zinc/18/22/08/808182208.db2.gz DORVHGCJKPKJRZ-QDMKHBRRSA-N 2 1 278.465 3.238 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172121680 808183231 /nfs/dbraw/zinc/18/32/31/808183231.db2.gz SJNDHADPKSIBFW-YRXWBPOGSA-N 2 1 284.447 3.491 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172121680 808183234 /nfs/dbraw/zinc/18/32/34/808183234.db2.gz SJNDHADPKSIBFW-YRXWBPOGSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172121680 808183238 /nfs/dbraw/zinc/18/32/38/808183238.db2.gz SJNDHADPKSIBFW-YRXWBPOGSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172121680 808183240 /nfs/dbraw/zinc/18/32/40/808183240.db2.gz SJNDHADPKSIBFW-YRXWBPOGSA-N 2 1 284.447 3.491 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@](C)(F)C1)C2 ZINC001172120020 808183528 /nfs/dbraw/zinc/18/35/28/808183528.db2.gz IWROTHQQJITQLE-QKPAOTATSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@](C)(F)C1)C2 ZINC001172120020 808183529 /nfs/dbraw/zinc/18/35/29/808183529.db2.gz IWROTHQQJITQLE-QKPAOTATSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@@](C)(F)C1)C2 ZINC001172120020 808183530 /nfs/dbraw/zinc/18/35/30/808183530.db2.gz IWROTHQQJITQLE-QKPAOTATSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@](C)(F)C1)C2 ZINC001172120020 808183531 /nfs/dbraw/zinc/18/35/31/808183531.db2.gz IWROTHQQJITQLE-QKPAOTATSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172121677 808183790 /nfs/dbraw/zinc/18/37/90/808183790.db2.gz SJNDHADPKSIBFW-AKHDSKFASA-N 2 1 284.447 3.491 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172121677 808183792 /nfs/dbraw/zinc/18/37/92/808183792.db2.gz SJNDHADPKSIBFW-AKHDSKFASA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172121677 808183795 /nfs/dbraw/zinc/18/37/95/808183795.db2.gz SJNDHADPKSIBFW-AKHDSKFASA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172121677 808183797 /nfs/dbraw/zinc/18/37/97/808183797.db2.gz SJNDHADPKSIBFW-AKHDSKFASA-N 2 1 284.447 3.491 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H]3CCC[C@@H]31)C2 ZINC001172124539 808185369 /nfs/dbraw/zinc/18/53/69/808185369.db2.gz LIPACQGNIPJGJB-NRKLIOEPSA-N 2 1 262.441 3.266 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001172124539 808185372 /nfs/dbraw/zinc/18/53/72/808185372.db2.gz LIPACQGNIPJGJB-NRKLIOEPSA-N 2 1 262.441 3.266 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001172124539 808185374 /nfs/dbraw/zinc/18/53/74/808185374.db2.gz LIPACQGNIPJGJB-NRKLIOEPSA-N 2 1 262.441 3.266 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001172124539 808185378 /nfs/dbraw/zinc/18/53/78/808185378.db2.gz LIPACQGNIPJGJB-NRKLIOEPSA-N 2 1 262.441 3.266 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3ccsc3C1)C2 ZINC001172125944 808186007 /nfs/dbraw/zinc/18/60/07/808186007.db2.gz SEDNQAWCAQFUTJ-FICVDOATSA-N 2 1 276.449 3.122 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3ccsc3C1)C2 ZINC001172125944 808186011 /nfs/dbraw/zinc/18/60/11/808186011.db2.gz SEDNQAWCAQFUTJ-FICVDOATSA-N 2 1 276.449 3.122 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3ccsc3C1)C2 ZINC001172125944 808186017 /nfs/dbraw/zinc/18/60/17/808186017.db2.gz SEDNQAWCAQFUTJ-FICVDOATSA-N 2 1 276.449 3.122 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172349078 808247302 /nfs/dbraw/zinc/24/73/02/808247302.db2.gz SMFJAIYEOYFADD-LSDHHAIUSA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172349078 808247306 /nfs/dbraw/zinc/24/73/06/808247306.db2.gz SMFJAIYEOYFADD-LSDHHAIUSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H]1C ZINC001172366047 808260849 /nfs/dbraw/zinc/26/08/49/808260849.db2.gz DNQSAROKAPTPRH-NONVJHHQSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H]1C ZINC001172366047 808260856 /nfs/dbraw/zinc/26/08/56/808260856.db2.gz DNQSAROKAPTPRH-NONVJHHQSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001172374830 808269892 /nfs/dbraw/zinc/26/98/92/808269892.db2.gz RRNBCMGLJLNLHF-YCPHGPKFSA-N 2 1 252.446 3.085 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCOC(C)C)C1 ZINC001172442587 808317202 /nfs/dbraw/zinc/31/72/02/808317202.db2.gz UPUAZVUZLXSVEV-CABCVRRESA-N 2 1 270.461 3.043 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)CCOC(C)C)C1 ZINC001172442587 808317210 /nfs/dbraw/zinc/31/72/10/808317210.db2.gz UPUAZVUZLXSVEV-CABCVRRESA-N 2 1 270.461 3.043 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172556503 808385721 /nfs/dbraw/zinc/38/57/21/808385721.db2.gz JHFQPFRUQXAFFZ-BGTYHANMSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172556503 808385735 /nfs/dbraw/zinc/38/57/35/808385735.db2.gz JHFQPFRUQXAFFZ-BGTYHANMSA-N 2 1 272.436 3.253 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172645904 808408067 /nfs/dbraw/zinc/40/80/67/808408067.db2.gz BVGVKIHDLNQLEC-GJZGRUSLSA-N 2 1 282.472 3.185 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](C3CC(C)(C)OC(C)(C)C3)C2)CC1 ZINC001172659280 808412058 /nfs/dbraw/zinc/41/20/58/808412058.db2.gz RBQHPHKFUFKQDX-UHFFFAOYSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172842553 808457701 /nfs/dbraw/zinc/45/77/01/808457701.db2.gz RGBRTBDKUPTHCA-OLZOCXBDSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001172859782 808464853 /nfs/dbraw/zinc/46/48/53/808464853.db2.gz CBQVWSXCEJWWBL-XHBSWPGZSA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001172859782 808464856 /nfs/dbraw/zinc/46/48/56/808464856.db2.gz CBQVWSXCEJWWBL-XHBSWPGZSA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)CCC[NH+](C)C ZINC001172863845 808467572 /nfs/dbraw/zinc/46/75/72/808467572.db2.gz LJFIATNAVCLMFN-GFCCVEGCSA-N 2 1 286.822 3.294 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001172925993 808483298 /nfs/dbraw/zinc/48/32/98/808483298.db2.gz MSONWMXUFMZYIZ-RYQLBKOJSA-N 2 1 290.451 3.041 20 0 CGADMP CCCOC1CCC([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001173100718 808509730 /nfs/dbraw/zinc/50/97/30/808509730.db2.gz RNBSLIHOQBSSMK-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ncccc3C2)CC1 ZINC001173114220 808513192 /nfs/dbraw/zinc/51/31/92/808513192.db2.gz CYHCLAXKXZHPBK-UHFFFAOYSA-N 2 1 287.451 3.093 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001173110747 808513961 /nfs/dbraw/zinc/51/39/61/808513961.db2.gz WFNFCMDWQSAZPJ-PRLABOORSA-N 2 1 270.436 3.319 20 0 CGADMP CC[N@H+]1CC[C@H](n2c(C[NH3+])cc3cc(Cl)ccc32)C1 ZINC001173351668 808626781 /nfs/dbraw/zinc/62/67/81/808626781.db2.gz WGBVYZVIVBMKKJ-ZDUSSCGKSA-N 2 1 277.799 3.020 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1(C[NH3+])CC1 ZINC001173548137 808645969 /nfs/dbraw/zinc/64/59/69/808645969.db2.gz YGIKUTDTSYXUHQ-JTQLQIEISA-N 2 1 287.234 3.395 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173685670 808664402 /nfs/dbraw/zinc/66/44/02/808664402.db2.gz ZZLGKRPTLUTHOI-LSJNQWAISA-N 2 1 286.463 3.340 20 0 CGADMP COCCC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001274940138 808892128 /nfs/dbraw/zinc/89/21/28/808892128.db2.gz VIPOQRJHLDHEAG-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP COCCC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001274940138 808892135 /nfs/dbraw/zinc/89/21/35/808892135.db2.gz VIPOQRJHLDHEAG-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP COCCC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001274940138 808892139 /nfs/dbraw/zinc/89/21/39/808892139.db2.gz VIPOQRJHLDHEAG-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275072862 808905251 /nfs/dbraw/zinc/90/52/51/808905251.db2.gz IYQLBAYYWDRVFU-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)c1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cs1 ZINC001275674813 808957888 /nfs/dbraw/zinc/95/78/88/808957888.db2.gz PXLLTUBWLOSXOX-OKILXGFUSA-N 2 1 293.480 3.040 20 0 CGADMP CC(C)c1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cs1 ZINC001275674813 808957891 /nfs/dbraw/zinc/95/78/91/808957891.db2.gz PXLLTUBWLOSXOX-OKILXGFUSA-N 2 1 293.480 3.040 20 0 CGADMP CC(C)c1nc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cs1 ZINC001275674813 808957894 /nfs/dbraw/zinc/95/78/94/808957894.db2.gz PXLLTUBWLOSXOX-OKILXGFUSA-N 2 1 293.480 3.040 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC(C)C)c1 ZINC001275694536 808958401 /nfs/dbraw/zinc/95/84/01/808958401.db2.gz UQFZRDUJRCXFIK-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC(C)C)c1 ZINC001275694536 808958405 /nfs/dbraw/zinc/95/84/05/808958405.db2.gz UQFZRDUJRCXFIK-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC001276232733 808994048 /nfs/dbraw/zinc/99/40/48/808994048.db2.gz NUSMBMRXNOARND-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1(c3ccccc3)CC1)C2 ZINC001276424704 809007532 /nfs/dbraw/zinc/00/75/32/809007532.db2.gz MPSKHYWIWZRVLL-GOSISDBHSA-N 2 1 284.447 3.136 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1(c3ccccc3)CC1)C2 ZINC001276424704 809007538 /nfs/dbraw/zinc/00/75/38/809007538.db2.gz MPSKHYWIWZRVLL-GOSISDBHSA-N 2 1 284.447 3.136 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1(c3ccccc3)CC1)C2 ZINC001276424704 809007548 /nfs/dbraw/zinc/00/75/48/809007548.db2.gz MPSKHYWIWZRVLL-GOSISDBHSA-N 2 1 284.447 3.136 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c(OC)c(C)c1 ZINC001276601576 809020439 /nfs/dbraw/zinc/02/04/39/809020439.db2.gz JPCZPUNTHMGBIP-ALOPSCKCSA-N 2 1 288.435 3.027 20 0 CGADMP Cc1cccc(CC[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001276738929 809027585 /nfs/dbraw/zinc/02/75/85/809027585.db2.gz LHKGICBVEYGYOF-UHFFFAOYSA-N 2 1 286.463 3.345 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccsc1Cl)CC2 ZINC001276846844 809038474 /nfs/dbraw/zinc/03/84/74/809038474.db2.gz ZDBOYWKAVOUUIR-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccsc1Cl)CC2 ZINC001276846844 809038481 /nfs/dbraw/zinc/03/84/81/809038481.db2.gz ZDBOYWKAVOUUIR-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP Cc1noc2ccc(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)cc12 ZINC001277217377 809063497 /nfs/dbraw/zinc/06/34/97/809063497.db2.gz PWYOOUXBBHOLPL-UHFFFAOYSA-N 2 1 299.418 3.054 20 0 CGADMP Cc1noc2ccc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc12 ZINC001277217121 809063778 /nfs/dbraw/zinc/06/37/78/809063778.db2.gz MFJNGJKCFDBSCC-SFHVURJKSA-N 2 1 299.418 3.054 20 0 CGADMP Cc1noc2ccc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc12 ZINC001277217121 809063785 /nfs/dbraw/zinc/06/37/85/809063785.db2.gz MFJNGJKCFDBSCC-SFHVURJKSA-N 2 1 299.418 3.054 20 0 CGADMP Cc1noc2ccc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc12 ZINC001277217121 809063792 /nfs/dbraw/zinc/06/37/92/809063792.db2.gz MFJNGJKCFDBSCC-SFHVURJKSA-N 2 1 299.418 3.054 20 0 CGADMP Cc1noc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc12 ZINC001277217121 809063798 /nfs/dbraw/zinc/06/37/98/809063798.db2.gz MFJNGJKCFDBSCC-SFHVURJKSA-N 2 1 299.418 3.054 20 0 CGADMP C1CC1[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277924039 809106630 /nfs/dbraw/zinc/10/66/30/809106630.db2.gz WMAYEBVQHPORSM-KRWDZBQOSA-N 2 1 262.441 3.269 20 0 CGADMP C1CC1[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277924039 809106632 /nfs/dbraw/zinc/10/66/32/809106632.db2.gz WMAYEBVQHPORSM-KRWDZBQOSA-N 2 1 262.441 3.269 20 0 CGADMP C1CC1[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277924039 809106635 /nfs/dbraw/zinc/10/66/35/809106635.db2.gz WMAYEBVQHPORSM-KRWDZBQOSA-N 2 1 262.441 3.269 20 0 CGADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1 ZINC001175445098 809409930 /nfs/dbraw/zinc/40/99/30/809409930.db2.gz VNRUBGKGVPEWFA-FUHWJXTLSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC001175445098 809409935 /nfs/dbraw/zinc/40/99/35/809409935.db2.gz VNRUBGKGVPEWFA-FUHWJXTLSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC001175445098 809409938 /nfs/dbraw/zinc/40/99/38/809409938.db2.gz VNRUBGKGVPEWFA-FUHWJXTLSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)cc(C)[nH+]1 ZINC001176052007 809608505 /nfs/dbraw/zinc/60/85/05/809608505.db2.gz LSGAPXFVUJTTQY-UHFFFAOYSA-N 2 1 267.254 3.278 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001177209690 809786888 /nfs/dbraw/zinc/78/68/88/809786888.db2.gz QYAIIKNDNCTPGU-BZUAXINKSA-N 2 1 284.513 3.371 20 0 CGADMP CC(C)n1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC001177299545 809791795 /nfs/dbraw/zinc/79/17/95/809791795.db2.gz UTZAGWVWSXQLPK-MRXNPFEDSA-N 2 1 292.471 3.066 20 0 CGADMP CC(C)n1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cn1 ZINC001177948019 809834895 /nfs/dbraw/zinc/83/48/95/809834895.db2.gz DHUFNQKNNXZRHK-UHFFFAOYSA-N 2 1 280.460 3.063 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001178661688 809881114 /nfs/dbraw/zinc/88/11/14/809881114.db2.gz VIWOZVQXKPKXBO-KKUMJFAQSA-N 2 1 270.486 3.125 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001178661688 809881120 /nfs/dbraw/zinc/88/11/20/809881120.db2.gz VIWOZVQXKPKXBO-KKUMJFAQSA-N 2 1 270.486 3.125 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2Cc2ccccc2)CC1(C)C ZINC001179800665 809946212 /nfs/dbraw/zinc/94/62/12/809946212.db2.gz WVIJKNVKXLNKHS-SQNIBIBYSA-N 2 1 286.463 3.328 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001182960783 810132371 /nfs/dbraw/zinc/13/23/71/810132371.db2.gz UXDBROZTXGZDDH-QGZVFWFLSA-N 2 1 290.426 3.365 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001182960783 810132376 /nfs/dbraw/zinc/13/23/76/810132376.db2.gz UXDBROZTXGZDDH-QGZVFWFLSA-N 2 1 290.426 3.365 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001184387444 810197000 /nfs/dbraw/zinc/19/70/00/810197000.db2.gz JYRCHDUUWBTYIH-CAOSSQGBSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)[C@@H]2C1 ZINC001184389587 810197588 /nfs/dbraw/zinc/19/75/88/810197588.db2.gz YLEPPIMBDSOGNZ-IVDHNXQLSA-N 2 1 298.474 3.328 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCC[C@H](C)C1 ZINC001194715143 811115039 /nfs/dbraw/zinc/11/50/39/811115039.db2.gz MKAZZRUQEIBDQO-RCCFBDPRSA-N 2 1 298.515 3.368 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCC[C@H](C)C1 ZINC001194715143 811115044 /nfs/dbraw/zinc/11/50/44/811115044.db2.gz MKAZZRUQEIBDQO-RCCFBDPRSA-N 2 1 298.515 3.368 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCC[C@H](C)C1 ZINC001194715143 811115047 /nfs/dbraw/zinc/11/50/47/811115047.db2.gz MKAZZRUQEIBDQO-RCCFBDPRSA-N 2 1 298.515 3.368 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C[C@@H]1CCO[C@H](CC)C1)[NH+](C)C ZINC001199170175 811562788 /nfs/dbraw/zinc/56/27/88/811562788.db2.gz BYBIUGHSQJBZMP-DJIMGWMZSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCCC1 ZINC001199188904 811564268 /nfs/dbraw/zinc/56/42/68/811564268.db2.gz GLMNHNYTKRMWGI-FZKCQIBNSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201482308 811858882 /nfs/dbraw/zinc/85/88/82/811858882.db2.gz IBZXWEXEHIFOJQ-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201482308 811858891 /nfs/dbraw/zinc/85/88/91/811858891.db2.gz IBZXWEXEHIFOJQ-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201482308 811858895 /nfs/dbraw/zinc/85/88/95/811858895.db2.gz IBZXWEXEHIFOJQ-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001201565530 811905441 /nfs/dbraw/zinc/90/54/41/811905441.db2.gz JRRMUHRLFMYDLR-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CSCCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001201689641 811938119 /nfs/dbraw/zinc/93/81/19/811938119.db2.gz BFQUQEMEVPWVRT-HNNXBMFYSA-N 2 1 270.486 3.080 20 0 CGADMP CCCCC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201735894 811951866 /nfs/dbraw/zinc/95/18/66/811951866.db2.gz YVCJHGJJDPKZCN-IYBDPMFKSA-N 2 1 276.424 3.224 20 0 CGADMP CCCCC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201735894 811951870 /nfs/dbraw/zinc/95/18/70/811951870.db2.gz YVCJHGJJDPKZCN-IYBDPMFKSA-N 2 1 276.424 3.224 20 0 CGADMP CCCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001201735894 811951874 /nfs/dbraw/zinc/95/18/74/811951874.db2.gz YVCJHGJJDPKZCN-IYBDPMFKSA-N 2 1 276.424 3.224 20 0 CGADMP CCCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001201735894 811951880 /nfs/dbraw/zinc/95/18/80/811951880.db2.gz YVCJHGJJDPKZCN-IYBDPMFKSA-N 2 1 276.424 3.224 20 0 CGADMP CN1CCC([N@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC001201952041 811981981 /nfs/dbraw/zinc/98/19/81/811981981.db2.gz GITVKBSSTLERHW-UHFFFAOYSA-N 2 1 276.399 3.132 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001202629720 812141382 /nfs/dbraw/zinc/14/13/82/812141382.db2.gz QRWGPCVWGXDEEU-ZNMIVQPWSA-N 2 1 272.502 3.371 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001202629720 812141387 /nfs/dbraw/zinc/14/13/87/812141387.db2.gz QRWGPCVWGXDEEU-ZNMIVQPWSA-N 2 1 272.502 3.371 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204604636 812687725 /nfs/dbraw/zinc/68/77/25/812687725.db2.gz TZVVOUPZPAQVDX-HOCLYGCPSA-N 2 1 296.405 3.388 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204604636 812687729 /nfs/dbraw/zinc/68/77/29/812687729.db2.gz TZVVOUPZPAQVDX-HOCLYGCPSA-N 2 1 296.405 3.388 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001204742710 812723944 /nfs/dbraw/zinc/72/39/44/812723944.db2.gz RDIJIADWOXAQSP-UHFFFAOYSA-N 2 1 294.389 3.239 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001204848805 812753603 /nfs/dbraw/zinc/75/36/03/812753603.db2.gz USEBLBMIJBPCMD-LJQANCHMSA-N 2 1 295.430 3.237 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H]2CC=C(C)C2(C)C)C1 ZINC001205000800 812818612 /nfs/dbraw/zinc/81/86/12/812818612.db2.gz KSWMZTNJBKFVNJ-HZPDHXFCSA-N 2 1 264.457 3.300 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001205018650 812827552 /nfs/dbraw/zinc/82/75/52/812827552.db2.gz XAGKHSWRYBKVST-AWEZNQCLSA-N 2 1 276.399 3.135 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001205018650 812827557 /nfs/dbraw/zinc/82/75/57/812827557.db2.gz XAGKHSWRYBKVST-AWEZNQCLSA-N 2 1 276.399 3.135 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1C(C)C ZINC001205101523 812864350 /nfs/dbraw/zinc/86/43/50/812864350.db2.gz HVVYBNYHRHUPBU-HNNXBMFYSA-N 2 1 276.424 3.132 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001205124340 812875767 /nfs/dbraw/zinc/87/57/67/812875767.db2.gz ONMGJHJWBWEZIK-INIZCTEOSA-N 2 1 299.393 3.201 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124654 812878850 /nfs/dbraw/zinc/87/88/50/812878850.db2.gz XFWYANHTXWEGMU-HNNXBMFYSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)Cc2ccccc21 ZINC001205164362 812892637 /nfs/dbraw/zinc/89/26/37/812892637.db2.gz DPLWDSPEMYKWRK-HNNXBMFYSA-N 2 1 292.426 3.452 20 0 CGADMP Cc1cccc2c1CC[N@@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001205164874 812895390 /nfs/dbraw/zinc/89/53/90/812895390.db2.gz UCCNWRJANIVQKK-UHFFFAOYSA-N 2 1 298.455 3.261 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164753 812895817 /nfs/dbraw/zinc/89/58/17/812895817.db2.gz RXGZWIXLKQTNCM-HOCLYGCPSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001205164950 812896080 /nfs/dbraw/zinc/89/60/80/812896080.db2.gz XSWCSJWGPJHZMT-XJKCOSOUSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[N@H+](C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001205164950 812896087 /nfs/dbraw/zinc/89/60/87/812896087.db2.gz XSWCSJWGPJHZMT-XJKCOSOUSA-N 2 1 294.389 3.097 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1C ZINC001205257931 812918418 /nfs/dbraw/zinc/91/84/18/812918418.db2.gz YRUZNAXTLCKYRX-KRWDZBQOSA-N 2 1 276.424 3.015 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255469 812918597 /nfs/dbraw/zinc/91/85/97/812918597.db2.gz JCOAYWDDVAUPQP-NVXWUHKLSA-N 2 1 284.488 3.157 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC001205264097 812921574 /nfs/dbraw/zinc/92/15/74/812921574.db2.gz HPZKFBWKLPOFMF-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC001205289140 812933027 /nfs/dbraw/zinc/93/30/27/812933027.db2.gz TUILHDGMWXJBPK-KRWDZBQOSA-N 2 1 258.409 3.267 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205295906 812936470 /nfs/dbraw/zinc/93/64/70/812936470.db2.gz CIEPBMGLUMJKKG-INIZCTEOSA-N 2 1 296.842 3.442 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205295906 812936473 /nfs/dbraw/zinc/93/64/73/812936473.db2.gz CIEPBMGLUMJKKG-INIZCTEOSA-N 2 1 296.842 3.442 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C[C@H]1C[NH3+] ZINC001205303270 812940603 /nfs/dbraw/zinc/94/06/03/812940603.db2.gz BTUNNJLUWKXUNJ-HNAYVOBHSA-N 2 1 295.430 3.165 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001205539417 812996588 /nfs/dbraw/zinc/99/65/88/812996588.db2.gz YRSRMRHMCUOKHB-MRXNPFEDSA-N 2 1 298.833 3.426 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)cc2c1 ZINC001205558661 813002427 /nfs/dbraw/zinc/00/24/27/813002427.db2.gz HWCKANWXGZCDHQ-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1C ZINC001205570370 813007478 /nfs/dbraw/zinc/00/74/78/813007478.db2.gz JDQQPUXNDIPNNK-QGZVFWFLSA-N 2 1 278.415 3.265 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc(C)c1F ZINC001205571226 813007758 /nfs/dbraw/zinc/00/77/58/813007758.db2.gz RWDRWZXRHLYVMG-INIZCTEOSA-N 2 1 282.378 3.095 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205570525 813008479 /nfs/dbraw/zinc/00/84/79/813008479.db2.gz KXTLYYHWZSKAJQ-QGZVFWFLSA-N 2 1 278.415 3.292 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205580290 813010381 /nfs/dbraw/zinc/01/03/81/813010381.db2.gz SAANXPSGOBBENX-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)CC[C@@H]1C[NH3+] ZINC001205603264 813019075 /nfs/dbraw/zinc/01/90/75/813019075.db2.gz NWLDBEHPKYLSKH-HUUCEWRRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(F)cc23)CC[C@@H]1C[NH3+] ZINC001205616067 813025659 /nfs/dbraw/zinc/02/56/59/813025659.db2.gz CUWYEDSGDCEECO-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)CC[C@H]1C[NH3+] ZINC001205615769 813026126 /nfs/dbraw/zinc/02/61/26/813026126.db2.gz AVROOVPSMKYBMQ-STQMWFEESA-N 2 1 289.448 3.103 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)cc2c1 ZINC001205616240 813026596 /nfs/dbraw/zinc/02/65/96/813026596.db2.gz DSDRFMLVKDAABR-GJZGRUSLSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3F)CC[C@H]1C[NH3+] ZINC001205618353 813028242 /nfs/dbraw/zinc/02/82/42/813028242.db2.gz VIJBTXITJZTBPT-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c2c1 ZINC001205618934 813029317 /nfs/dbraw/zinc/02/93/17/813029317.db2.gz ZIXXYBXYTAVATM-LSDHHAIUSA-N 2 1 285.435 3.283 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205627192 813032373 /nfs/dbraw/zinc/03/23/73/813032373.db2.gz NSRSBCUDASHLCZ-YPMHNXCESA-N 2 1 282.378 3.080 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205628455 813034738 /nfs/dbraw/zinc/03/47/38/813034738.db2.gz VGJADMRLDQUVDK-GOEBONIOSA-N 2 1 260.425 3.056 20 0 CGADMP Cc1c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc(F)c1F ZINC001205651329 813042741 /nfs/dbraw/zinc/04/27/41/813042741.db2.gz CSZPZWGMHPZFAG-AAEUAGOBSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Cl ZINC001205654846 813044933 /nfs/dbraw/zinc/04/49/33/813044933.db2.gz XYJITKZYORTRIK-JSGCOSHPSA-N 2 1 280.843 3.455 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCCC2)CCC1(F)F ZINC001205736442 813063585 /nfs/dbraw/zinc/06/35/85/813063585.db2.gz XXPVBEPXWSIFRR-AWEZNQCLSA-N 2 1 274.399 3.263 20 0 CGADMP C[C@@H](CC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001205736489 813063693 /nfs/dbraw/zinc/06/36/93/813063693.db2.gz ZLGGLWZPVQWVAG-STQMWFEESA-N 2 1 276.415 3.365 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205841430 813104421 /nfs/dbraw/zinc/10/44/21/813104421.db2.gz JYUDQQXESYGIGF-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205841430 813104425 /nfs/dbraw/zinc/10/44/25/813104425.db2.gz JYUDQQXESYGIGF-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001205845324 813106055 /nfs/dbraw/zinc/10/60/55/813106055.db2.gz ZPJITLNTPCAKTK-NVXWUHKLSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001205845324 813106057 /nfs/dbraw/zinc/10/60/57/813106057.db2.gz ZPJITLNTPCAKTK-NVXWUHKLSA-N 2 1 283.419 3.037 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c[nH]c21 ZINC001205902062 813124790 /nfs/dbraw/zinc/12/47/90/813124790.db2.gz HHPRXFUDWUEDED-UONOGXRCSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC001205904716 813126674 /nfs/dbraw/zinc/12/66/74/813126674.db2.gz WQXZWGWBGVKPQX-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c2ccccc12 ZINC001205903644 813126959 /nfs/dbraw/zinc/12/69/59/813126959.db2.gz QNXVFXFLHCNCTR-CABCVRRESA-N 2 1 298.430 3.408 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205913119 813129028 /nfs/dbraw/zinc/12/90/28/813129028.db2.gz HDHJDASTGUWVDG-WMLDXEAASA-N 2 1 298.430 3.408 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205912872 813129550 /nfs/dbraw/zinc/12/95/50/813129550.db2.gz DJHRKVGJEVWVRE-RHSMWYFYSA-N 2 1 260.425 3.198 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205912874 813129733 /nfs/dbraw/zinc/12/97/33/813129733.db2.gz DJHRKVGJEVWVRE-YOEHRIQHSA-N 2 1 260.425 3.198 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001205912728 813129952 /nfs/dbraw/zinc/12/99/52/813129952.db2.gz BVOFHWBQLAHPPZ-GOEBONIOSA-N 2 1 268.404 3.351 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1OC(C)C ZINC001205915808 813131649 /nfs/dbraw/zinc/13/16/49/813131649.db2.gz QPYDGPKZWOJQTG-NVXWUHKLSA-N 2 1 290.451 3.341 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923102 813135285 /nfs/dbraw/zinc/13/52/85/813135285.db2.gz IPYSTFWKHXBDEJ-ZIAGYGMSSA-N 2 1 278.465 3.358 20 0 CGADMP F[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001205923315 813135590 /nfs/dbraw/zinc/13/55/90/813135590.db2.gz MYIYQUKWTTVQJG-CQSZACIVSA-N 2 1 256.409 3.123 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2ccccc2F)CCC[C@@H]1C[NH3+] ZINC001205982560 813152007 /nfs/dbraw/zinc/15/20/07/813152007.db2.gz MILYXDUYEJCMEJ-GDBMZVCRSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2cccc(F)c2)CCC[C@@H]1C[NH3+] ZINC001205981847 813152101 /nfs/dbraw/zinc/15/21/01/813152101.db2.gz HWZMWTIWDPYCJR-GOEBONIOSA-N 2 1 278.415 3.065 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC001205994110 813155075 /nfs/dbraw/zinc/15/50/75/813155075.db2.gz JHVWAHJXNNORJQ-HOTGVXAUSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(F)ccc23)CCC[C@@H]1C[NH3+] ZINC001205996003 813156552 /nfs/dbraw/zinc/15/65/52/813156552.db2.gz SYGPPIUBSZEJPY-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206004755 813160933 /nfs/dbraw/zinc/16/09/33/813160933.db2.gz UXZBSNZLDNQVKG-HZPDHXFCSA-N 2 1 299.462 3.468 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Cl ZINC001206004733 813161724 /nfs/dbraw/zinc/16/17/24/813161724.db2.gz UUANLTIVPRBIKG-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CCC[C@@H]1C[NH3+] ZINC001206005653 813162315 /nfs/dbraw/zinc/16/23/15/813162315.db2.gz YYBGNBZKJQWKNY-GDBMZVCRSA-N 2 1 272.436 3.371 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206005205 813162464 /nfs/dbraw/zinc/16/24/64/813162464.db2.gz WYWFBIFTVOYICK-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206013553 813165521 /nfs/dbraw/zinc/16/55/21/813165521.db2.gz SHMFYIYELREOTF-BXUZGUMPSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)o2)CCC[C@@H]1C[NH3+] ZINC001206015044 813166308 /nfs/dbraw/zinc/16/63/08/813166308.db2.gz ZSBPMHFEKMVYHG-GHMZBOCLSA-N 2 1 290.329 3.105 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206023169 813169096 /nfs/dbraw/zinc/16/90/96/813169096.db2.gz DKVPIIXMZMUYHG-QWHCGFSZSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1C[N@H+](CC(C)(C)Sc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206048955 813181146 /nfs/dbraw/zinc/18/11/46/813181146.db2.gz CTQWADSDBXIUBC-BXUZGUMPSA-N 2 1 298.883 3.490 20 0 CGADMP C[C@@H]1C[N@@H+](CC(C)(C)Sc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206048955 813181149 /nfs/dbraw/zinc/18/11/49/813181149.db2.gz CTQWADSDBXIUBC-BXUZGUMPSA-N 2 1 298.883 3.490 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001206277271 813268293 /nfs/dbraw/zinc/26/82/93/813268293.db2.gz QFDYOQANJFIIRJ-KRWDZBQOSA-N 2 1 294.442 3.319 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001206277271 813268295 /nfs/dbraw/zinc/26/82/95/813268295.db2.gz QFDYOQANJFIIRJ-KRWDZBQOSA-N 2 1 294.442 3.319 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001206277073 813269323 /nfs/dbraw/zinc/26/93/23/813269323.db2.gz NJLXPKTXQLGVLV-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001206277073 813269333 /nfs/dbraw/zinc/26/93/33/813269333.db2.gz NJLXPKTXQLGVLV-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP Cn1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c2ccccc21 ZINC001206294036 813275530 /nfs/dbraw/zinc/27/55/30/813275530.db2.gz IRTUBMXTQDGTSL-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC001206297377 813276659 /nfs/dbraw/zinc/27/66/59/813276659.db2.gz XYZJRXVKMUBPLO-MRXNPFEDSA-N 2 1 280.843 3.333 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c21 ZINC001206304398 813280157 /nfs/dbraw/zinc/28/01/57/813280157.db2.gz JWSONNZWXYXJOO-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ncccc23)CC1 ZINC001206303657 813280550 /nfs/dbraw/zinc/28/05/50/813280550.db2.gz FRGCUOMSXYBKRG-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c2c1 ZINC001206304207 813280562 /nfs/dbraw/zinc/28/05/62/813280562.db2.gz HKHQMDAWQHHDJR-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001206304674 813281553 /nfs/dbraw/zinc/28/15/53/813281553.db2.gz NWABCAOEMPNCSI-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206304772 813282114 /nfs/dbraw/zinc/28/21/14/813282114.db2.gz PNZAIHALHLMGHC-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2nccc3ccccc32)CC1 ZINC001206317220 813286979 /nfs/dbraw/zinc/28/69/79/813286979.db2.gz DBONVHSZLQJAHH-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206317496 813287638 /nfs/dbraw/zinc/28/76/38/813287638.db2.gz GGSCBYZTAKPOBX-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC001206317036 813287794 /nfs/dbraw/zinc/28/77/94/813287794.db2.gz BHOBYZYZNAFQFU-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC001206326519 813289713 /nfs/dbraw/zinc/28/97/13/813289713.db2.gz ORDQFJMNVNWAOR-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206338025 813294543 /nfs/dbraw/zinc/29/45/43/813294543.db2.gz XZDOBWZKKJIDAC-HUUCEWRRSA-N 2 1 258.425 3.356 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206338025 813294549 /nfs/dbraw/zinc/29/45/49/813294549.db2.gz XZDOBWZKKJIDAC-HUUCEWRRSA-N 2 1 258.425 3.356 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206363188 813304689 /nfs/dbraw/zinc/30/46/89/813304689.db2.gz VRTAPTJWQBXWCC-QGZVFWFLSA-N 2 1 278.415 3.292 20 0 CGADMP CCCc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206363188 813304698 /nfs/dbraw/zinc/30/46/98/813304698.db2.gz VRTAPTJWQBXWCC-QGZVFWFLSA-N 2 1 278.415 3.292 20 0 CGADMP C[C@@]1(F)CCCC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001206404562 813315617 /nfs/dbraw/zinc/31/56/17/813315617.db2.gz MHDZTBPMWPDUDD-QGZVFWFLSA-N 2 1 276.399 3.046 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206549572 813347981 /nfs/dbraw/zinc/34/79/81/813347981.db2.gz OVQDBYWEEOTLCK-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206549572 813347986 /nfs/dbraw/zinc/34/79/86/813347986.db2.gz OVQDBYWEEOTLCK-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206554820 813350134 /nfs/dbraw/zinc/35/01/34/813350134.db2.gz FYTPYCHRDZXRSI-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001206573485 813358590 /nfs/dbraw/zinc/35/85/90/813358590.db2.gz LSKALNKNENONFP-LJQANCHMSA-N 2 1 298.430 3.496 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3occc32)C1 ZINC001206574180 813358651 /nfs/dbraw/zinc/35/86/51/813358651.db2.gz QBBVSAHKQOVHNM-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC001206574220 813359436 /nfs/dbraw/zinc/35/94/36/813359436.db2.gz QZBLJBRLYHLOBY-GOSISDBHSA-N 2 1 299.418 3.293 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206582216 813361628 /nfs/dbraw/zinc/36/16/28/813361628.db2.gz MZGWMCHGNVEDTH-CQSZACIVSA-N 2 1 282.378 3.317 20 0 CGADMP Cc1ccsc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206581514 813363193 /nfs/dbraw/zinc/36/31/93/813363193.db2.gz JTHXZXYKOBNCBE-AWEZNQCLSA-N 2 1 266.454 3.409 20 0 CGADMP Cc1ccccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206583436 813363434 /nfs/dbraw/zinc/36/34/34/813363434.db2.gz URTDKXXSSATTPO-QGZVFWFLSA-N 2 1 260.425 3.348 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(N(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206589967 813365359 /nfs/dbraw/zinc/36/53/59/813365359.db2.gz JNOJYLXDZRGXOL-QGZVFWFLSA-N 2 1 289.467 3.105 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001206616060 813376458 /nfs/dbraw/zinc/37/64/58/813376458.db2.gz NBDCLKMLHJKQRB-GFCCVEGCSA-N 2 1 291.826 3.382 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001206616060 813376463 /nfs/dbraw/zinc/37/64/63/813376463.db2.gz NBDCLKMLHJKQRB-GFCCVEGCSA-N 2 1 291.826 3.382 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c[nH]c2c1 ZINC001206615476 813376508 /nfs/dbraw/zinc/37/65/08/813376508.db2.gz DZNNHFXKTGLNEG-AWEZNQCLSA-N 2 1 271.408 3.037 20 0 CGADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206624030 813377942 /nfs/dbraw/zinc/37/79/42/813377942.db2.gz QPYPBXUEVANLAW-OAHLLOKOSA-N 2 1 299.418 3.211 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC001206623872 813378177 /nfs/dbraw/zinc/37/81/77/813378177.db2.gz PZRSDYKLNZCHHT-NSHDSACASA-N 2 1 270.467 3.031 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206768978 813432278 /nfs/dbraw/zinc/43/22/78/813432278.db2.gz MEUKRSFGYIOQLC-RHSMWYFYSA-N 2 1 260.425 3.198 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770145 813432290 /nfs/dbraw/zinc/43/22/90/813432290.db2.gz RQLHHURMJCWSMQ-GJZGRUSLSA-N 2 1 285.435 3.220 20 0 CGADMP CC[N@@H+]1C[C@H]2CN(Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001207132623 813494335 /nfs/dbraw/zinc/49/43/35/813494335.db2.gz LNLIYLUICBNUGC-GASCZTMLSA-N 2 1 280.362 3.008 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207398844 813557379 /nfs/dbraw/zinc/55/73/79/813557379.db2.gz QSLUFBUBQGWCTC-AWEZNQCLSA-N 2 1 276.424 3.030 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207440918 813565736 /nfs/dbraw/zinc/56/57/36/813565736.db2.gz MAGSNLPGGWAEHE-HNNXBMFYSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)CCC[C@@H]1C ZINC001207479952 813572486 /nfs/dbraw/zinc/57/24/86/813572486.db2.gz QQSUEQDLGIQKBH-GJZGRUSLSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1cccc(CC[N@@H+](C)CCC2CC[NH+](C)CC2)c1 ZINC001207484441 813572897 /nfs/dbraw/zinc/57/28/97/813572897.db2.gz KNYARHYKFBPOOX-UHFFFAOYSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C)CC2)cc1 ZINC001207482422 813573461 /nfs/dbraw/zinc/57/34/61/813573461.db2.gz CJFKMQVCCMRHLK-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP C[N@@H+](CCCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001207583889 813599850 /nfs/dbraw/zinc/59/98/50/813599850.db2.gz BAIIQBWQOMTBCL-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP C[N@H+](CCCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001207583889 813599844 /nfs/dbraw/zinc/59/98/44/813599844.db2.gz BAIIQBWQOMTBCL-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609350 813613750 /nfs/dbraw/zinc/61/37/50/813613750.db2.gz WCVOEFDGKDPCOM-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914675 813671708 /nfs/dbraw/zinc/67/17/08/813671708.db2.gz XEAIKQXXDVLDHK-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914675 813671712 /nfs/dbraw/zinc/67/17/12/813671712.db2.gz XEAIKQXXDVLDHK-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914675 813671716 /nfs/dbraw/zinc/67/17/16/813671716.db2.gz XEAIKQXXDVLDHK-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2c2nccs2)CC1 ZINC001208109542 813694977 /nfs/dbraw/zinc/69/49/77/813694977.db2.gz OFBHTRMWERTHGD-CYBMUJFWSA-N 2 1 279.453 3.012 20 0 CGADMP CS[C@@H](C)CC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208141352 813708021 /nfs/dbraw/zinc/70/80/21/813708021.db2.gz KBEBVMRWZAGCKG-AWEZNQCLSA-N 2 1 272.502 3.180 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208191853 813737526 /nfs/dbraw/zinc/73/75/26/813737526.db2.gz QKOANADLQYKQBE-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccccc2F)C1 ZINC001208607884 813772460 /nfs/dbraw/zinc/77/24/60/813772460.db2.gz OFPBDQSFPQLOQN-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccccc2F)C1 ZINC001208607884 813772465 /nfs/dbraw/zinc/77/24/65/813772465.db2.gz OFPBDQSFPQLOQN-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2F)C1 ZINC001208607884 813772469 /nfs/dbraw/zinc/77/24/69/813772469.db2.gz OFPBDQSFPQLOQN-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2F)C1 ZINC001208607884 813772471 /nfs/dbraw/zinc/77/24/71/813772471.db2.gz OFPBDQSFPQLOQN-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001208608576 813774148 /nfs/dbraw/zinc/77/41/48/813774148.db2.gz QQNYYVWAOASLDE-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001208608576 813774150 /nfs/dbraw/zinc/77/41/50/813774150.db2.gz QQNYYVWAOASLDE-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001208608576 813774153 /nfs/dbraw/zinc/77/41/53/813774153.db2.gz QQNYYVWAOASLDE-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001208613126 813775899 /nfs/dbraw/zinc/77/58/99/813775899.db2.gz PNSRQZFPWVAIBG-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208613126 813775903 /nfs/dbraw/zinc/77/59/03/813775903.db2.gz PNSRQZFPWVAIBG-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208613126 813775905 /nfs/dbraw/zinc/77/59/05/813775905.db2.gz PNSRQZFPWVAIBG-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@H]1CCC=CO1 ZINC001208882091 813879716 /nfs/dbraw/zinc/87/97/16/813879716.db2.gz HSVOHSNUDUCCPY-BBWFWOEESA-N 2 1 278.440 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC001208882091 813879722 /nfs/dbraw/zinc/87/97/22/813879722.db2.gz HSVOHSNUDUCCPY-BBWFWOEESA-N 2 1 278.440 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC001208882091 813879733 /nfs/dbraw/zinc/87/97/33/813879733.db2.gz HSVOHSNUDUCCPY-BBWFWOEESA-N 2 1 278.440 3.018 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930422 813902995 /nfs/dbraw/zinc/90/29/95/813902995.db2.gz BDEWQYIMWPPXLI-NJAFHUGGSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930422 813902998 /nfs/dbraw/zinc/90/29/98/813902998.db2.gz BDEWQYIMWPPXLI-NJAFHUGGSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@H](F)C[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930422 813903003 /nfs/dbraw/zinc/90/30/03/813903003.db2.gz BDEWQYIMWPPXLI-NJAFHUGGSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@H](F)C[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930422 813903006 /nfs/dbraw/zinc/90/30/06/813903006.db2.gz BDEWQYIMWPPXLI-NJAFHUGGSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957872 813910353 /nfs/dbraw/zinc/91/03/53/813910353.db2.gz MMFRMTKUOCTMSL-FUHWJXTLSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957872 813910355 /nfs/dbraw/zinc/91/03/55/813910355.db2.gz MMFRMTKUOCTMSL-FUHWJXTLSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957872 813910363 /nfs/dbraw/zinc/91/03/63/813910363.db2.gz MMFRMTKUOCTMSL-FUHWJXTLSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957872 813910370 /nfs/dbraw/zinc/91/03/70/813910370.db2.gz MMFRMTKUOCTMSL-FUHWJXTLSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209426990 814028447 /nfs/dbraw/zinc/02/84/47/814028447.db2.gz NLVRNFVDLRZZKI-RSPOEFSDSA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209426990 814028453 /nfs/dbraw/zinc/02/84/53/814028453.db2.gz NLVRNFVDLRZZKI-RSPOEFSDSA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209426990 814028461 /nfs/dbraw/zinc/02/84/61/814028461.db2.gz NLVRNFVDLRZZKI-RSPOEFSDSA-N 2 1 298.474 3.486 20 0 CGADMP F[C@@H]1CCC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209450336 814047581 /nfs/dbraw/zinc/04/75/81/814047581.db2.gz GLPKXCSAGHKXCO-MRXNPFEDSA-N 2 1 282.447 3.467 20 0 CGADMP Nc1ccncc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001209727220 814122706 /nfs/dbraw/zinc/12/27/06/814122706.db2.gz KLKFQULPKYCPOE-KRWDZBQOSA-N 2 1 267.376 3.221 20 0 CGADMP Nc1cc[nH+]cc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001209727220 814122715 /nfs/dbraw/zinc/12/27/15/814122715.db2.gz KLKFQULPKYCPOE-KRWDZBQOSA-N 2 1 267.376 3.221 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)CC[NH2+]1 ZINC001210499200 814491282 /nfs/dbraw/zinc/49/12/82/814491282.db2.gz SPNSRRLLAIFRPJ-OAHLLOKOSA-N 2 1 297.446 3.090 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)CC[NH2+]1 ZINC001210499200 814491286 /nfs/dbraw/zinc/49/12/86/814491286.db2.gz SPNSRRLLAIFRPJ-OAHLLOKOSA-N 2 1 297.446 3.090 20 0 CGADMP C[NH2+]CC1C[NH+](C[C@@H](C)c2cccc3ccccc32)C1 ZINC001210561480 814526599 /nfs/dbraw/zinc/52/65/99/814526599.db2.gz MPQKFMXVEGSXBY-CQSZACIVSA-N 2 1 268.404 3.095 20 0 CGADMP CC[C@H](C)[C@@H](C)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218317502 816165247 /nfs/dbraw/zinc/16/52/47/816165247.db2.gz NRYIVHVKYXCDNV-LSDHHAIUSA-N 2 1 290.451 3.423 20 0 CGADMP CC[C@@H](Oc1ccccc1C[NH+]1CCC([NH3+])CC1)C(C)C ZINC001218440145 816214223 /nfs/dbraw/zinc/21/42/23/816214223.db2.gz FEDJIGFIZHQAFE-QGZVFWFLSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC001222141405 816358686 /nfs/dbraw/zinc/35/86/86/816358686.db2.gz KLGIIDDLLXFWCA-YOEHRIQHSA-N 2 1 276.424 3.157 20 0 CGADMP c1coc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222159942 816364760 /nfs/dbraw/zinc/36/47/60/816364760.db2.gz AIBFKDGHNGFHGQ-INIZCTEOSA-N 2 1 262.397 3.025 20 0 CGADMP c1coc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222159942 816364765 /nfs/dbraw/zinc/36/47/65/816364765.db2.gz AIBFKDGHNGFHGQ-INIZCTEOSA-N 2 1 262.397 3.025 20 0 CGADMP c1ccc(C2CC2)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222243295 816384767 /nfs/dbraw/zinc/38/47/67/816384767.db2.gz KPJDTSUCQALMTJ-GOSISDBHSA-N 2 1 270.420 3.282 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222243295 816384774 /nfs/dbraw/zinc/38/47/74/816384774.db2.gz KPJDTSUCQALMTJ-GOSISDBHSA-N 2 1 270.420 3.282 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265078 816391287 /nfs/dbraw/zinc/39/12/87/816391287.db2.gz NUHXTKHGOHMQAS-LJQANCHMSA-N 2 1 297.446 3.442 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265078 816391294 /nfs/dbraw/zinc/39/12/94/816391294.db2.gz NUHXTKHGOHMQAS-LJQANCHMSA-N 2 1 297.446 3.442 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222307850 816403690 /nfs/dbraw/zinc/40/36/90/816403690.db2.gz CGWIVSKDDAKFJN-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001222309242 816403869 /nfs/dbraw/zinc/40/38/69/816403869.db2.gz OSXISZHMNOIGTB-LJQANCHMSA-N 2 1 284.447 3.010 20 0 CGADMP Fc1ccccc1CCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308006 816403905 /nfs/dbraw/zinc/40/39/05/816403905.db2.gz FCHMSMPXUIJFNW-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222307713 816403915 /nfs/dbraw/zinc/40/39/15/816403915.db2.gz ALKSAVUYJCSEIR-INIZCTEOSA-N 2 1 278.827 3.448 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222310422 816404852 /nfs/dbraw/zinc/40/48/52/816404852.db2.gz UYBBAUNLVNRKHE-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP C[C@@H](CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222464869 816450321 /nfs/dbraw/zinc/45/03/21/816450321.db2.gz GMAGFZZBUDGZDB-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222464869 816450322 /nfs/dbraw/zinc/45/03/22/816450322.db2.gz GMAGFZZBUDGZDB-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222464725 816450371 /nfs/dbraw/zinc/45/03/71/816450371.db2.gz DJFVBOXAOOHGMF-SFHVURJKSA-N 2 1 272.436 3.182 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222464725 816450374 /nfs/dbraw/zinc/45/03/74/816450374.db2.gz DJFVBOXAOOHGMF-SFHVURJKSA-N 2 1 272.436 3.182 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620727 816480380 /nfs/dbraw/zinc/48/03/80/816480380.db2.gz YLPANBWJWBOTQS-XJKSGUPXSA-N 2 1 286.444 3.394 20 0 CGADMP C[NH2+]Cc1cccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)c1 ZINC001242995222 823203194 /nfs/dbraw/zinc/20/31/94/823203194.db2.gz GHQAEPVSRZUODZ-UHFFFAOYSA-N 2 1 281.281 3.069 20 0 CGADMP C[N@@H+](Cc1ccsc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014332 818233176 /nfs/dbraw/zinc/23/31/76/818233176.db2.gz NYZOVMZRUJIOCY-UHFFFAOYSA-N 2 1 257.362 3.256 20 0 CGADMP C[N@H+](Cc1ccsc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014332 818233180 /nfs/dbraw/zinc/23/31/80/818233180.db2.gz NYZOVMZRUJIOCY-UHFFFAOYSA-N 2 1 257.362 3.256 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC001234991592 818969514 /nfs/dbraw/zinc/96/95/14/818969514.db2.gz HGKUBKXMOOQCSW-LJQANCHMSA-N 2 1 296.414 3.121 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1(C)C ZINC001234993368 818969690 /nfs/dbraw/zinc/96/96/90/818969690.db2.gz NDNCVDHUPUMLFH-AEFFLSMTSA-N 2 1 276.468 3.444 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(C)c1F ZINC001234992925 818969902 /nfs/dbraw/zinc/96/99/02/818969902.db2.gz NIEXMONFRABMFR-QGZVFWFLSA-N 2 1 276.399 3.018 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(C)c1F ZINC001234992925 818969910 /nfs/dbraw/zinc/96/99/10/818969910.db2.gz NIEXMONFRABMFR-QGZVFWFLSA-N 2 1 276.399 3.018 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992147 818970719 /nfs/dbraw/zinc/97/07/19/818970719.db2.gz JCCIAZRAKWGQSP-JKSUJKDBSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235002091 818974950 /nfs/dbraw/zinc/97/49/50/818974950.db2.gz XAOZFFYSIMOELN-QGZVFWFLSA-N 2 1 276.399 3.018 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235002091 818974954 /nfs/dbraw/zinc/97/49/54/818974954.db2.gz XAOZFFYSIMOELN-QGZVFWFLSA-N 2 1 276.399 3.018 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)NCCC2 ZINC001235041056 818988118 /nfs/dbraw/zinc/98/81/18/818988118.db2.gz XFKJSZUVELJJSK-IBGZPJMESA-N 2 1 299.462 3.153 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235103005 819002355 /nfs/dbraw/zinc/00/23/55/819002355.db2.gz PWACOOMFLBCTTN-HNNXBMFYSA-N 2 1 250.430 3.197 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCC12CC[NH2+]CC2 ZINC001235102495 819002683 /nfs/dbraw/zinc/00/26/83/819002683.db2.gz OGUHWKOHWSOOOH-ARJAWSKDSA-N 2 1 250.430 3.341 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112140 819006966 /nfs/dbraw/zinc/00/69/66/819006966.db2.gz WRQJGAKYNMUDJD-PHDXLQKJSA-N 2 1 288.479 3.421 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112140 819006973 /nfs/dbraw/zinc/00/69/73/819006973.db2.gz WRQJGAKYNMUDJD-PHDXLQKJSA-N 2 1 288.479 3.421 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c(C)c1 ZINC001235126158 819012253 /nfs/dbraw/zinc/01/22/53/819012253.db2.gz SHHAIWLEVMZMBG-GOSISDBHSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c(C)c1 ZINC001235126158 819012260 /nfs/dbraw/zinc/01/22/60/819012260.db2.gz SHHAIWLEVMZMBG-GOSISDBHSA-N 2 1 272.436 3.330 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C2 ZINC001235150876 819016478 /nfs/dbraw/zinc/01/64/78/819016478.db2.gz AWRPKAUKPFCUAF-FQEVSTJZSA-N 2 1 298.474 3.256 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235147800 819016899 /nfs/dbraw/zinc/01/68/99/819016899.db2.gz UOMNFLQGDLTUTQ-JLSDUUJJSA-N 2 1 272.436 3.022 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235147800 819016905 /nfs/dbraw/zinc/01/69/05/819016905.db2.gz UOMNFLQGDLTUTQ-JLSDUUJJSA-N 2 1 272.436 3.022 20 0 CGADMP c1cc2cccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c2[nH]1 ZINC001235176058 819025526 /nfs/dbraw/zinc/02/55/26/819025526.db2.gz CIXZDFFERZJXGR-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2cccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c2[nH]1 ZINC001235176058 819025529 /nfs/dbraw/zinc/02/55/29/819025529.db2.gz CIXZDFFERZJXGR-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1 ZINC001235198022 819034000 /nfs/dbraw/zinc/03/40/00/819034000.db2.gz LHRGJYUQMFMYSW-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209302 819037787 /nfs/dbraw/zinc/03/77/87/819037787.db2.gz LWCBBOGIAUZVMC-BBWFWOEESA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209302 819037794 /nfs/dbraw/zinc/03/77/94/819037794.db2.gz LWCBBOGIAUZVMC-BBWFWOEESA-N 2 1 264.457 3.443 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2ccccc2)cc1 ZINC001235253678 819049950 /nfs/dbraw/zinc/04/99/50/819049950.db2.gz DCRLHDBFEOGJMD-FHWLQOOXSA-N 2 1 278.399 3.275 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235254698 819052284 /nfs/dbraw/zinc/05/22/84/819052284.db2.gz KRKDLKAKMDJLQI-BQFCYCMXSA-N 2 1 288.435 3.177 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235257491 819053397 /nfs/dbraw/zinc/05/33/97/819053397.db2.gz ZLTFCJLAIIPTOJ-QZHFEQFPSA-N 2 1 286.463 3.410 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)CCCC2)cc1 ZINC001235342226 819072248 /nfs/dbraw/zinc/07/22/48/819072248.db2.gz VFKIBGSMCRAKAW-MRXNPFEDSA-N 2 1 284.447 3.040 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](C[C@@H]2CC=CCC2)C3)cc1 ZINC001235377133 819081296 /nfs/dbraw/zinc/08/12/96/819081296.db2.gz ANLVTOGTFVPATP-RLLQIKCJSA-N 2 1 296.458 3.422 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235429361 819094854 /nfs/dbraw/zinc/09/48/54/819094854.db2.gz XHOYMZHXZWQRAJ-RTBURBONSA-N 2 1 286.463 3.461 20 0 CGADMP CC/C=C\CCCCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433591 819095552 /nfs/dbraw/zinc/09/55/52/819095552.db2.gz GRAXIYRWDSAWND-PLNGDYQASA-N 2 1 252.446 3.444 20 0 CGADMP CCCCOc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001235433419 819096307 /nfs/dbraw/zinc/09/63/07/819096307.db2.gz HJVVIOGUTYUUMJ-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP CCCCC1CC[NH+](Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC001235431745 819096622 /nfs/dbraw/zinc/09/66/22/819096622.db2.gz BWVWWORRMOUKIU-UHFFFAOYSA-N 2 1 293.480 3.191 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+](C)C2CC[NH2+]CC2)c(C)c1C ZINC001235465921 819106988 /nfs/dbraw/zinc/10/69/88/819106988.db2.gz KRWZVAJQDRFCPJ-UHFFFAOYSA-N 2 1 274.452 3.413 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)c2ccccc12 ZINC001235475190 819108723 /nfs/dbraw/zinc/10/87/23/819108723.db2.gz UYHURFVMWVVZAN-UHFFFAOYSA-N 2 1 268.404 3.332 20 0 CGADMP CC[C@@H]([NH3+])C[NH+]1CCC2(CCc3ccc(C)cc32)CC1 ZINC001235609833 819125531 /nfs/dbraw/zinc/12/55/31/819125531.db2.gz ZRTVTALOKHORQX-MRXNPFEDSA-N 2 1 272.436 3.012 20 0 CGADMP C[C@@H]([NH3+])C[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC001235664603 819131756 /nfs/dbraw/zinc/13/17/56/819131756.db2.gz JOFCNRKANFFQHH-QGZVFWFLSA-N 2 1 294.442 3.416 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H](C[NH3+])C3)cc2)o1 ZINC001235675194 819135775 /nfs/dbraw/zinc/13/57/75/819135775.db2.gz KLDHTXUGYFFSEL-MRXNPFEDSA-N 2 1 284.403 3.426 20 0 CGADMP c1c2ccccc2sc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711920 819149067 /nfs/dbraw/zinc/14/90/67/819149067.db2.gz VIVZTVVGAWAFCZ-UHFFFAOYSA-N 2 1 272.417 3.087 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711920 819149072 /nfs/dbraw/zinc/14/90/72/819149072.db2.gz VIVZTVVGAWAFCZ-UHFFFAOYSA-N 2 1 272.417 3.087 20 0 CGADMP Fc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001235715015 819150531 /nfs/dbraw/zinc/15/05/31/819150531.db2.gz NUAKVTQWQGAAQS-SJORKVTESA-N 2 1 276.399 3.495 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(F)cc1F ZINC001235718356 819152328 /nfs/dbraw/zinc/15/23/28/819152328.db2.gz ZWQDVOJPASHSNS-UHFFFAOYSA-N 2 1 282.378 3.095 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc2cccnc21 ZINC001235726906 819155265 /nfs/dbraw/zinc/15/52/65/819155265.db2.gz RFNRZBSQXFYDMK-QGZVFWFLSA-N 2 1 283.419 3.199 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001235749106 819160231 /nfs/dbraw/zinc/16/02/31/819160231.db2.gz HIRKZYOMSFVRGM-NVXWUHKLSA-N 2 1 274.452 3.269 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001235750294 819160299 /nfs/dbraw/zinc/16/02/99/819160299.db2.gz OTXIZHBYDXINNK-LJQANCHMSA-N 2 1 280.415 3.058 20 0 CGADMP CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C1CC[NH2+]CC1 ZINC001235761765 819162179 /nfs/dbraw/zinc/16/21/79/819162179.db2.gz PSKOUNGLRCYCMI-UHFFFAOYSA-N 2 1 264.388 3.016 20 0 CGADMP C[N@H+](CCc1ccccc1Cl)CC[C@@H]1CCCC[NH2+]1 ZINC001235839476 819181955 /nfs/dbraw/zinc/18/19/55/819181955.db2.gz SRQILSACRSBLID-HNNXBMFYSA-N 2 1 280.843 3.347 20 0 CGADMP C[N@H+](CCc1cccc(Cl)c1)CC[C@@H]1CCC[NH2+]C1 ZINC001235839163 819182219 /nfs/dbraw/zinc/18/22/19/819182219.db2.gz KVPBWDKUFQPSBR-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235839737 819182620 /nfs/dbraw/zinc/18/26/20/819182620.db2.gz WPNFVDZJHCVAQK-UHFFFAOYSA-N 2 1 290.426 3.080 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930292 819227840 /nfs/dbraw/zinc/22/78/40/819227840.db2.gz VSZGTUAKABOKDF-CVEARBPZSA-N 2 1 272.436 3.025 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235930944 819229149 /nfs/dbraw/zinc/22/91/49/819229149.db2.gz YLTCFMOCVJNIQB-NVXWUHKLSA-N 2 1 280.415 3.190 20 0 CGADMP COCCC[N@@H+](C[C@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235934737 819230403 /nfs/dbraw/zinc/23/04/03/819230403.db2.gz BJAIDPCDSNNDPV-QGZVFWFLSA-N 2 1 296.499 3.459 20 0 CGADMP c1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235933921 819230451 /nfs/dbraw/zinc/23/04/51/819230451.db2.gz AKDVUTNDUAZWKB-IEBWSBKVSA-N 2 1 292.426 3.395 20 0 CGADMP [NH3+]CCCC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235947724 819237205 /nfs/dbraw/zinc/23/72/05/819237205.db2.gz FETNQSKAWQTICH-UHFFFAOYSA-N 2 1 282.431 3.470 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235948707 819237298 /nfs/dbraw/zinc/23/72/98/819237298.db2.gz RLKPOARGDMWPBO-GASCZTMLSA-N 2 1 297.446 3.222 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1CC ZINC001235950634 819242093 /nfs/dbraw/zinc/24/20/93/819242093.db2.gz JNRPZHMRSSRWJE-INIZCTEOSA-N 2 1 290.451 3.079 20 0 CGADMP C[N@@H+](CCCCCc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235952501 819242721 /nfs/dbraw/zinc/24/27/21/819242721.db2.gz YHWANMRLSZHNRW-GOSISDBHSA-N 2 1 274.452 3.331 20 0 CGADMP C[N@H+](Cc1ccc(F)c(C2CC2)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956742 819244306 /nfs/dbraw/zinc/24/43/06/819244306.db2.gz HAOFRWVWGMUZMG-CQSZACIVSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)C[C@H]1CCC[NH2+]C1 ZINC001235957877 819245603 /nfs/dbraw/zinc/24/56/03/819245603.db2.gz VOZMXJGFFFZLSV-HNNXBMFYSA-N 2 1 284.403 3.378 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)o1)C[C@H]1CCC[NH2+]C1 ZINC001235957877 819245606 /nfs/dbraw/zinc/24/56/06/819245606.db2.gz VOZMXJGFFFZLSV-HNNXBMFYSA-N 2 1 284.403 3.378 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001235957289 819246421 /nfs/dbraw/zinc/24/64/21/819246421.db2.gz MDDHXWJVGQASHR-CQSZACIVSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(OC)c1 ZINC001235961912 819249421 /nfs/dbraw/zinc/24/94/21/819249421.db2.gz HFQMJQSOCQHPMG-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c2ccccc12 ZINC001235980776 819255877 /nfs/dbraw/zinc/25/58/77/819255877.db2.gz ODGKTQBKSIQZKK-QAPCUYQASA-N 2 1 266.388 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c2ccccc12 ZINC001235980776 819255881 /nfs/dbraw/zinc/25/58/81/819255881.db2.gz ODGKTQBKSIQZKK-QAPCUYQASA-N 2 1 266.388 3.071 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235981493 819257046 /nfs/dbraw/zinc/25/70/46/819257046.db2.gz WFGGRDPJGDAQDR-HUUCEWRRSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235981493 819257054 /nfs/dbraw/zinc/25/70/54/819257054.db2.gz WFGGRDPJGDAQDR-HUUCEWRRSA-N 2 1 298.352 3.061 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(C)c1C ZINC001235996922 819265310 /nfs/dbraw/zinc/26/53/10/819265310.db2.gz YROFFBZEQLLVGX-FUHWJXTLSA-N 2 1 272.436 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(C)c1C ZINC001235996922 819265316 /nfs/dbraw/zinc/26/53/16/819265316.db2.gz YROFFBZEQLLVGX-FUHWJXTLSA-N 2 1 272.436 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c(C)c1C ZINC001236046724 819285132 /nfs/dbraw/zinc/28/51/32/819285132.db2.gz HTVVAIOKIDWTDS-PIGZYNQJSA-N 2 1 274.452 3.398 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c(C)c1C ZINC001236046724 819285134 /nfs/dbraw/zinc/28/51/34/819285134.db2.gz HTVVAIOKIDWTDS-PIGZYNQJSA-N 2 1 274.452 3.398 20 0 CGADMP c1coc(C[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C2CC2)c1 ZINC001236088277 819309635 /nfs/dbraw/zinc/30/96/35/819309635.db2.gz CDYJOXMFQMZLLU-UHFFFAOYSA-N 2 1 282.387 3.090 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c2ccccc12 ZINC001236094331 819312840 /nfs/dbraw/zinc/31/28/40/819312840.db2.gz BMQLLUHPMINHKF-HNNXBMFYSA-N 2 1 268.404 3.332 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236188671 819362115 /nfs/dbraw/zinc/36/21/15/819362115.db2.gz CDMHWVOXGVOODX-GUYCJALGSA-N 2 1 269.392 3.057 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236188671 819362122 /nfs/dbraw/zinc/36/21/22/819362122.db2.gz CDMHWVOXGVOODX-GUYCJALGSA-N 2 1 269.392 3.057 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236194242 819364480 /nfs/dbraw/zinc/36/44/80/819364480.db2.gz UVKFYQJHNRNJEL-MLGOLLRUSA-N 2 1 257.381 3.042 20 0 CGADMP CCc1cccc2c(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c[nH]c21 ZINC001236213704 819376095 /nfs/dbraw/zinc/37/60/95/819376095.db2.gz BCYYJYBFTDIXQA-IAGOWNOFSA-N 2 1 285.435 3.432 20 0 CGADMP CCc1cccc2c(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c[nH]c21 ZINC001236213704 819376102 /nfs/dbraw/zinc/37/61/02/819376102.db2.gz BCYYJYBFTDIXQA-IAGOWNOFSA-N 2 1 285.435 3.432 20 0 CGADMP C[N@H+](Cc1cc(O)cc2ccccc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214619 819376435 /nfs/dbraw/zinc/37/64/35/819376435.db2.gz GOHIMLIKBBPQDO-ROUUACIJSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@@H+](Cc1cc(O)cc2ccccc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214619 819376443 /nfs/dbraw/zinc/37/64/43/819376443.db2.gz GOHIMLIKBBPQDO-ROUUACIJSA-N 2 1 284.403 3.247 20 0 CGADMP CCOc1cc(C)ccc1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236215551 819377508 /nfs/dbraw/zinc/37/75/08/819377508.db2.gz CANYUJNBIZNIFS-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1ccc(C[NH+]2CCC[NH2+]CCC2)c(C)c1Cl ZINC001236242111 819401576 /nfs/dbraw/zinc/40/15/76/819401576.db2.gz XIWNXTCBFAJAAW-UHFFFAOYSA-N 2 1 266.816 3.142 20 0 CGADMP Clc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314199 819421170 /nfs/dbraw/zinc/42/11/70/819421170.db2.gz KHBOYZZDXHPGSE-TXEJJXNPSA-N 2 1 299.245 3.425 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCCC3(CCC3)C1)C[NH2+]CC2 ZINC001236321575 819424739 /nfs/dbraw/zinc/42/47/39/819424739.db2.gz DKZUHXUIGKIUBL-UHFFFAOYSA-N 2 1 270.420 3.098 20 0 CGADMP Fc1ccc2occc2c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321272 819424791 /nfs/dbraw/zinc/42/47/91/819424791.db2.gz KIBHOIQLYUGVQY-BETUJISGSA-N 2 1 288.366 3.003 20 0 CGADMP C[N@H+]1CC[C@@H](c2ccc(-c3cccc4c3CC[NH2+]C4)cc2)C1 ZINC001236357198 819432035 /nfs/dbraw/zinc/43/20/35/819432035.db2.gz FMXFCOVRXRANMF-GOSISDBHSA-N 2 1 292.426 3.418 20 0 CGADMP CC[N@@H+](C[C@H](C)CCC=C(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236408291 819455638 /nfs/dbraw/zinc/45/56/38/819455638.db2.gz MTNPFRHUGONPNL-HZPDHXFCSA-N 2 1 252.446 3.300 20 0 CGADMP CC[N@H+](Cc1c(OC)ccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236408261 819456110 /nfs/dbraw/zinc/45/61/10/819456110.db2.gz LSTUMUIUUCCPFZ-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236408464 819456711 /nfs/dbraw/zinc/45/67/11/819456711.db2.gz MUXAOJYHIVRIJV-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236408464 819456716 /nfs/dbraw/zinc/45/67/16/819456716.db2.gz MUXAOJYHIVRIJV-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CC[N@H+](Cc1ccc2cccccc1-2)C[C@@H]1CC[NH2+]C1 ZINC001236410688 819457688 /nfs/dbraw/zinc/45/76/88/819457688.db2.gz JDKUQTDVHPGSKM-OAHLLOKOSA-N 2 1 268.404 3.223 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)c(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236412525 819458687 /nfs/dbraw/zinc/45/86/87/819458687.db2.gz WHWSZMMNEUVWND-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413039 819458949 /nfs/dbraw/zinc/45/89/49/819458949.db2.gz NFIGRISQMADHSF-BWTSREIZSA-N 2 1 278.399 3.003 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413039 819458953 /nfs/dbraw/zinc/45/89/53/819458953.db2.gz NFIGRISQMADHSF-BWTSREIZSA-N 2 1 278.399 3.003 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236415531 819460916 /nfs/dbraw/zinc/46/09/16/819460916.db2.gz OOUOCGKFBGWPRQ-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236415531 819460921 /nfs/dbraw/zinc/46/09/21/819460921.db2.gz OOUOCGKFBGWPRQ-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCCCCc1ccccc1 ZINC001236417200 819463184 /nfs/dbraw/zinc/46/31/84/819463184.db2.gz XSTVULADWQFMBW-RDJZCZTQSA-N 2 1 260.425 3.211 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCCCCc1ccccc1 ZINC001236417195 819463208 /nfs/dbraw/zinc/46/32/08/819463208.db2.gz XSTVULADWQFMBW-NVXWUHKLSA-N 2 1 260.425 3.211 20 0 CGADMP CCOc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236474171 819492293 /nfs/dbraw/zinc/49/22/93/819492293.db2.gz NZBYONRLKMILHN-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP CCOc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236474171 819492296 /nfs/dbraw/zinc/49/22/96/819492296.db2.gz NZBYONRLKMILHN-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP Cc1cc(F)cc(C[N@@H+](CC2CC2)C2CC[NH2+]CC2)c1 ZINC001236480401 819496707 /nfs/dbraw/zinc/49/67/07/819496707.db2.gz DFZWZVLRABGDSN-UHFFFAOYSA-N 2 1 276.399 3.098 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584894 819545277 /nfs/dbraw/zinc/54/52/77/819545277.db2.gz ZSYDCVGBRKWMEI-ULQDDVLXSA-N 2 1 276.468 3.443 20 0 CGADMP Cn1ccc2cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)ccc21 ZINC001236597837 819549161 /nfs/dbraw/zinc/54/91/61/819549161.db2.gz FTFKUAOBUNVSES-MRXNPFEDSA-N 2 1 297.446 3.142 20 0 CGADMP Cc1cc(F)cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236636649 819557272 /nfs/dbraw/zinc/55/72/72/819557272.db2.gz GYJTWMJMGWKPKN-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236821682 819608392 /nfs/dbraw/zinc/60/83/92/819608392.db2.gz WBWXEXAWWXPBJU-MKWACEFDSA-N 2 1 250.430 3.182 20 0 CGADMP CCC[N@@H+](CCCc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236827285 819609642 /nfs/dbraw/zinc/60/96/42/819609642.db2.gz FBNRZYJHYAEQOD-MRXNPFEDSA-N 2 1 278.415 3.080 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1C(F)(F)F ZINC001236827244 819610381 /nfs/dbraw/zinc/61/03/81/819610381.db2.gz DODWMLWCZGRFJS-GUTXKFCHSA-N 2 1 298.352 3.183 20 0 CGADMP CCC[N@@H+](CCC1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC001236826843 819610547 /nfs/dbraw/zinc/61/05/47/819610547.db2.gz CWUUKVOSKZDDFZ-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C(F)(F)F)c1 ZINC001236832729 819611626 /nfs/dbraw/zinc/61/16/26/819611626.db2.gz XFZMKKIDSYHVKB-QEJZJMRPSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C(F)(F)F)c1 ZINC001236832729 819611630 /nfs/dbraw/zinc/61/16/30/819611630.db2.gz XFZMKKIDSYHVKB-QEJZJMRPSA-N 2 1 298.352 3.183 20 0 CGADMP CCC[N@H+](Cc1cccc(OC(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833484 819613666 /nfs/dbraw/zinc/61/36/66/819613666.db2.gz CCSJFLFDCNHPQN-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP CCC[N@H+](Cc1cccc2c1ccn2CC)C[C@@H]1CC[NH2+]C1 ZINC001236836355 819614558 /nfs/dbraw/zinc/61/45/58/819614558.db2.gz VFOSDEWRIKLDLN-MRXNPFEDSA-N 2 1 299.462 3.483 20 0 CGADMP CCC[N@H+](Cc1cccc(CC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843855 819618451 /nfs/dbraw/zinc/61/84/51/819618451.db2.gz RQXYKVJGAGZUNA-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP CCCC[N@@H+](CC)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236886771 819630919 /nfs/dbraw/zinc/63/09/19/819630919.db2.gz ICJOOPDUNGWQBZ-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP c1ccc2c(c1)cccc2[C@H]1CSCC[N@H+]1CC1C[NH2+]C1 ZINC001236999105 819643743 /nfs/dbraw/zinc/64/37/43/819643743.db2.gz IDRPLIVXTPQQKD-GOSISDBHSA-N 2 1 298.455 3.149 20 0 CGADMP c1ccc2c(c1)cccc2[C@H]1CSCC[N@@H+]1CC1C[NH2+]C1 ZINC001236999105 819643746 /nfs/dbraw/zinc/64/37/46/819643746.db2.gz IDRPLIVXTPQQKD-GOSISDBHSA-N 2 1 298.455 3.149 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001237019694 819644774 /nfs/dbraw/zinc/64/47/74/819644774.db2.gz JYAJWIMKCPADLJ-IEZWGBDMSA-N 2 1 284.447 3.364 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001237019694 819644777 /nfs/dbraw/zinc/64/47/77/819644777.db2.gz JYAJWIMKCPADLJ-IEZWGBDMSA-N 2 1 284.447 3.364 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001237079860 819662451 /nfs/dbraw/zinc/66/24/51/819662451.db2.gz CPEHVWIMUTVVME-GOSISDBHSA-N 2 1 268.404 3.352 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155526 819682736 /nfs/dbraw/zinc/68/27/36/819682736.db2.gz RDQRRSPZNLCVPC-KRWDZBQOSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155526 819682740 /nfs/dbraw/zinc/68/27/40/819682740.db2.gz RDQRRSPZNLCVPC-KRWDZBQOSA-N 2 1 272.436 3.410 20 0 CGADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCCCC1 ZINC001237379421 819738831 /nfs/dbraw/zinc/73/88/31/819738831.db2.gz BHAVLCWOHOZAFC-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384173 819740195 /nfs/dbraw/zinc/74/01/95/819740195.db2.gz VFMUOJVFZKNARL-DLBZAZTESA-N 2 1 264.457 3.421 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384173 819740198 /nfs/dbraw/zinc/74/01/98/819740198.db2.gz VFMUOJVFZKNARL-DLBZAZTESA-N 2 1 264.457 3.421 20 0 CGADMP FC(F)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237404591 819745953 /nfs/dbraw/zinc/74/59/53/819745953.db2.gz NXSGHGHKMPKWIX-GJZGRUSLSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237404591 819745955 /nfs/dbraw/zinc/74/59/55/819745955.db2.gz NXSGHGHKMPKWIX-GJZGRUSLSA-N 2 1 280.362 3.198 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237414959 819746983 /nfs/dbraw/zinc/74/69/83/819746983.db2.gz NQFYOJCTRKZWGD-FUHWJXTLSA-N 2 1 272.436 3.131 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001238521562 820037258 /nfs/dbraw/zinc/03/72/58/820037258.db2.gz KAGZWRFGRPFFFP-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP CC[N@@H+]1CC=C(c2cnc(C3=CCC[NH2+]CC3)c(C)c2)CC1 ZINC001238937605 820160181 /nfs/dbraw/zinc/16/01/81/820160181.db2.gz XXPYTNXPBGISLF-UHFFFAOYSA-N 2 1 297.446 3.266 20 0 CGADMP [NH3+]Cc1ccccc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241504191 821905800 /nfs/dbraw/zinc/90/58/00/821905800.db2.gz BASRRJYZJZWSSW-UHFFFAOYSA-N 2 1 278.399 3.435 20 0 CGADMP C[N@H+]1CCC=C(c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001241569608 821955439 /nfs/dbraw/zinc/95/54/39/821955439.db2.gz IPYYXRDYXAPCFN-UHFFFAOYSA-N 2 1 270.420 3.391 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1cccc(C2CC[NH+](C)CC2)c1 ZINC001242096451 822350074 /nfs/dbraw/zinc/35/00/74/822350074.db2.gz NCYSVHUQKLOEKB-UHFFFAOYSA-N 2 1 281.403 3.448 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@H]2CCC[NH2+]2)c(F)c1 ZINC001242096062 822350770 /nfs/dbraw/zinc/35/07/70/822350770.db2.gz WWMALSXKYZMNFJ-OAHLLOKOSA-N 2 1 271.339 3.203 20 0 CGADMP COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ccc1F ZINC001343585599 936507048 /nfs/dbraw/zinc/50/70/48/936507048.db2.gz SYBZEMDQOXBVAH-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1ccccc1OC(F)F ZINC001345483035 936812015 /nfs/dbraw/zinc/81/20/15/936812015.db2.gz PXXADQDWFROCMI-YPMHNXCESA-N 2 1 286.366 3.327 20 0 CGADMP C[C@@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C(C)(C)C ZINC001345957242 936831110 /nfs/dbraw/zinc/83/11/10/936831110.db2.gz VDUFAQBWHGKDGM-AWEZNQCLSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(F)c1 ZINC001355372713 937138604 /nfs/dbraw/zinc/13/86/04/937138604.db2.gz FHHFTGLEWBREBX-UAGQMJEPSA-N 2 1 290.426 3.296 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CCCCC1 ZINC000921486263 927621679 /nfs/dbraw/zinc/62/16/79/927621679.db2.gz GWMDXWXHCGJRMF-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C=CCC1 ZINC001474202635 937203591 /nfs/dbraw/zinc/20/35/91/937203591.db2.gz OSDSRFLRXNJWOJ-KRWDZBQOSA-N 2 1 272.436 3.453 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)c(C)o2)C1 ZINC001116927669 927963558 /nfs/dbraw/zinc/96/35/58/927963558.db2.gz ANQKEHMHLDHXPO-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)c(C)o2)C1 ZINC001116927669 927963568 /nfs/dbraw/zinc/96/35/68/927963568.db2.gz ANQKEHMHLDHXPO-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1ccccc1N(C)C)C(C)C ZINC001560366844 937212428 /nfs/dbraw/zinc/21/24/28/937212428.db2.gz RRWXJPSVFXZPPL-UHFFFAOYSA-N 2 1 291.483 3.351 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+](C)CCC[NH+]1CCCC1)CC2 ZINC001172831178 928225159 /nfs/dbraw/zinc/22/51/59/928225159.db2.gz MYABCICUMTUXSV-IBGZPJMESA-N 2 1 286.463 3.270 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCC2(CCC2)O1 ZINC001459580651 937492372 /nfs/dbraw/zinc/49/23/72/937492372.db2.gz NVIXTVDPUMBTOG-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCC2(CCC2)O1 ZINC001459580651 937492374 /nfs/dbraw/zinc/49/23/74/937492374.db2.gz NVIXTVDPUMBTOG-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCC2(CCC2)O1 ZINC001459580651 937492375 /nfs/dbraw/zinc/49/23/75/937492375.db2.gz NVIXTVDPUMBTOG-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCC2(CCC2)O1 ZINC001459580651 937492376 /nfs/dbraw/zinc/49/23/76/937492376.db2.gz NVIXTVDPUMBTOG-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001460803341 937545906 /nfs/dbraw/zinc/54/59/06/937545906.db2.gz XFEWMJATSHSTQY-CQSZACIVSA-N 2 1 273.424 3.028 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000163470871 932002897 /nfs/dbraw/zinc/00/28/97/932002897.db2.gz UBPRZVDMTSQCFD-XJKSGUPXSA-N 2 1 260.425 3.029 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc2cccnc12 ZINC001461010639 937559707 /nfs/dbraw/zinc/55/97/07/937559707.db2.gz CDIPGXOPZIRVGL-UHFFFAOYSA-N 2 1 295.430 3.260 20 0 CGADMP Cc1nc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001461050650 937561713 /nfs/dbraw/zinc/56/17/13/937561713.db2.gz LXCKYKHAKSOYSS-ZDUSSCGKSA-N 2 1 281.469 3.196 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001461181089 937568099 /nfs/dbraw/zinc/56/80/99/937568099.db2.gz ZJOYIZIEWRCICF-OWSLCNJRSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001461181089 937568101 /nfs/dbraw/zinc/56/81/01/937568101.db2.gz ZJOYIZIEWRCICF-OWSLCNJRSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)[C@H]2C1 ZINC001461826121 937599619 /nfs/dbraw/zinc/59/96/19/937599619.db2.gz CXHXFGDHBBQRMM-XXQMMXQMSA-N 2 1 299.462 3.038 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C4CCC4)CC3)[C@@H]2C1 ZINC001461829503 937600559 /nfs/dbraw/zinc/60/05/59/937600559.db2.gz LBHNUQLUJCGKEJ-WCUWXVSDSA-N 2 1 276.468 3.275 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC001461918116 937606169 /nfs/dbraw/zinc/60/61/69/937606169.db2.gz DQQKVZGHOQDJJJ-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CC(C)(C)OC1(C)C ZINC001307497215 932962128 /nfs/dbraw/zinc/96/21/28/932962128.db2.gz DHPMAWVBNYEZLD-JKSUJKDBSA-N 2 1 296.499 3.386 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CC(C)(C)OC1(C)C ZINC001307497215 932962131 /nfs/dbraw/zinc/96/21/31/932962131.db2.gz DHPMAWVBNYEZLD-JKSUJKDBSA-N 2 1 296.499 3.386 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CC(C)(C)OC1(C)C ZINC001307497215 932962134 /nfs/dbraw/zinc/96/21/34/932962134.db2.gz DHPMAWVBNYEZLD-JKSUJKDBSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001307521992 932965906 /nfs/dbraw/zinc/96/59/06/932965906.db2.gz UQNBCFHXKDHYLJ-SJORKVTESA-N 2 1 298.515 3.491 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1 ZINC001307978423 933029134 /nfs/dbraw/zinc/02/91/34/933029134.db2.gz OSTZCDLZPBEBBS-LISAXSMJSA-N 2 1 272.436 3.165 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1 ZINC001307978423 933029139 /nfs/dbraw/zinc/02/91/39/933029139.db2.gz OSTZCDLZPBEBBS-LISAXSMJSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1C=CCCCCC1 ZINC001308089165 933046178 /nfs/dbraw/zinc/04/61/78/933046178.db2.gz KSOURKATZGYUEX-SJLPKXTDSA-N 2 1 285.435 3.481 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001308092086 933047584 /nfs/dbraw/zinc/04/75/84/933047584.db2.gz FFLNPCPRTFLMBU-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CCc1cccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC001462639967 937656234 /nfs/dbraw/zinc/65/62/34/937656234.db2.gz YTJOISPDGICNHX-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP CCc1cccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC001462639967 937656236 /nfs/dbraw/zinc/65/62/36/937656236.db2.gz YTJOISPDGICNHX-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC001308252456 933081883 /nfs/dbraw/zinc/08/18/83/933081883.db2.gz UFWYLWAAPPUGSA-IAGOWNOFSA-N 2 1 294.483 3.047 20 0 CGADMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001462656439 937657055 /nfs/dbraw/zinc/65/70/55/937657055.db2.gz XFGWJQNWKYAWOB-IPMKNSEASA-N 2 1 286.463 3.411 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1Cc2ccccc2C1 ZINC001308372927 933102303 /nfs/dbraw/zinc/10/23/03/933102303.db2.gz XBSCEIZTIQYJFI-UHFFFAOYSA-N 2 1 295.430 3.042 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2n1C ZINC001308456890 933113548 /nfs/dbraw/zinc/11/35/48/933113548.db2.gz JUEKPIVMIHYXHL-UHFFFAOYSA-N 2 1 287.451 3.246 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]CCc1ccc(C)c(C)c1 ZINC001308735583 933166989 /nfs/dbraw/zinc/16/69/89/933166989.db2.gz IOIUUIQSOBAUTM-MRXNPFEDSA-N 2 1 262.441 3.166 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4c3CCC4)C2)CC1 ZINC001308744006 933168213 /nfs/dbraw/zinc/16/82/13/933168213.db2.gz OXECISYHQXRVIV-SFHVURJKSA-N 2 1 298.474 3.339 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001308753270 933169739 /nfs/dbraw/zinc/16/97/39/933169739.db2.gz NKSFJUCFKJCXCI-MAUKXSAKSA-N 2 1 272.436 3.411 20 0 CGADMP COCc1csc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC001308985163 933223462 /nfs/dbraw/zinc/22/34/62/933223462.db2.gz WXEGSWVNFIWHST-UHFFFAOYSA-N 2 1 296.480 3.247 20 0 CGADMP COCc1csc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC001308985163 933223467 /nfs/dbraw/zinc/22/34/67/933223467.db2.gz WXEGSWVNFIWHST-UHFFFAOYSA-N 2 1 296.480 3.247 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001319753550 933927466 /nfs/dbraw/zinc/92/74/66/933927466.db2.gz DKFQSSRYYCOLFY-CRAIPNDOSA-N 2 1 295.430 3.464 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccccc1Cl ZINC001321272834 934171992 /nfs/dbraw/zinc/17/19/92/934171992.db2.gz AUXGWXAUMJXBMY-CYBMUJFWSA-N 2 1 291.826 3.456 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001321273930 934172058 /nfs/dbraw/zinc/17/20/58/934172058.db2.gz PMVOVXKRORULBC-XUWVNRHRSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@H+]1CCN(c2c(C)c[nH+]c3ccccc32)C[C@@H]1C ZINC001322967010 934352871 /nfs/dbraw/zinc/35/28/71/934352871.db2.gz SNECFJNGAMLKET-AWEZNQCLSA-N 2 1 269.392 3.074 20 0 CGADMP CC(C)c1nc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC001324757697 934563469 /nfs/dbraw/zinc/56/34/69/934563469.db2.gz NCGIRYHBCZFQBI-ZDUSSCGKSA-N 2 1 281.469 3.088 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC001324762293 934564125 /nfs/dbraw/zinc/56/41/25/934564125.db2.gz BMYBVZXPVKIPQP-CVEARBPZSA-N 2 1 289.467 3.135 20 0 CGADMP C(C1CC2(CCC2)C1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001473173647 937796085 /nfs/dbraw/zinc/79/60/85/937796085.db2.gz MEUKRRIENQYQBJ-MRXNPFEDSA-N 2 1 276.468 3.375 20 0 CGADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001473426357 937806680 /nfs/dbraw/zinc/80/66/80/937806680.db2.gz ZEDUJRZNXASCOK-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC001325720285 934924673 /nfs/dbraw/zinc/92/46/73/934924673.db2.gz FVHXSKFGAJNJPK-WDEREUQCSA-N 2 1 269.458 3.224 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC001325742109 934926136 /nfs/dbraw/zinc/92/61/36/934926136.db2.gz BKIUXQUUXHRVSL-RISCZKNCSA-N 2 1 282.815 3.141 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCOC(C)(C)C)CC1 ZINC001473716671 937818657 /nfs/dbraw/zinc/81/86/57/937818657.db2.gz JEIJWUKTPOANRW-QGZVFWFLSA-N 2 1 296.499 3.388 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC001329025137 935180122 /nfs/dbraw/zinc/18/01/22/935180122.db2.gz ZCBSEVFWXCALGO-WFASDCNBSA-N 2 1 296.842 3.450 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001329364096 935208852 /nfs/dbraw/zinc/20/88/52/935208852.db2.gz PIMWRFJCULZCBM-PBHICJAKSA-N 2 1 281.403 3.074 20 0 CGADMP C[C@H](COc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331516912 935387676 /nfs/dbraw/zinc/38/76/76/935387676.db2.gz AUVCFMDNZVLXBX-KGLIPLIRSA-N 2 1 294.414 3.055 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC001331835886 935412853 /nfs/dbraw/zinc/41/28/53/935412853.db2.gz SRHHAMCMSDWXPI-ZDUSSCGKSA-N 2 1 266.388 3.344 20 0 CGADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC001331931861 935422749 /nfs/dbraw/zinc/42/27/49/935422749.db2.gz CWFAHJGQYUSEPK-GFCCVEGCSA-N 2 1 264.438 3.021 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001333892499 936073790 /nfs/dbraw/zinc/07/37/90/936073790.db2.gz RZQYDUYGVZRZAJ-SOUVJXGZSA-N 2 1 292.492 3.473 20 0 CGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCCC(F)(F)F)C1 ZINC001334873487 936119934 /nfs/dbraw/zinc/11/99/34/936119934.db2.gz UGBMAQQORUVNIX-GFCCVEGCSA-N 2 1 289.345 3.017 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc43)C[C@H]2C1 ZINC001335583850 936153664 /nfs/dbraw/zinc/15/36/64/936153664.db2.gz SBZVXERFEFZRAW-NCXUSEDFSA-N 2 1 298.474 3.379 20 0 CGADMP Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336887682 936224989 /nfs/dbraw/zinc/22/49/89/936224989.db2.gz FAUQHEZBYHSRGH-OKZBNKHCSA-N 2 1 272.436 3.157 20 0 CGADMP Cc1cc(F)cc(NC2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC001337442560 936259204 /nfs/dbraw/zinc/25/92/04/936259204.db2.gz JJVAOVDMDJOUPL-UHFFFAOYSA-N 2 1 286.354 3.005 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001337728282 936284183 /nfs/dbraw/zinc/28/41/83/936284183.db2.gz RLPKMMMYJOULJY-GRYCIOLGSA-N 2 1 266.351 3.180 20 0 CGADMP CC[C@H](C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C)[NH+]1CCCC1 ZINC001473926937 937830207 /nfs/dbraw/zinc/83/02/07/937830207.db2.gz QACBCHGGFKIMRE-BBWFWOEESA-N 2 1 264.457 3.443 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC001473964582 937832656 /nfs/dbraw/zinc/83/26/56/937832656.db2.gz FLHRXLQGAOCXAV-OAHLLOKOSA-N 2 1 280.843 3.470 20 0 CGADMP CCOc1ccc(Cl)cc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC001473996021 937834622 /nfs/dbraw/zinc/83/46/22/937834622.db2.gz XBSJTOYXLCDEPM-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001473996021 937834624 /nfs/dbraw/zinc/83/46/24/937834624.db2.gz XBSJTOYXLCDEPM-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001473996021 937834626 /nfs/dbraw/zinc/83/46/26/937834626.db2.gz XBSJTOYXLCDEPM-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001474005030 937835100 /nfs/dbraw/zinc/83/51/00/937835100.db2.gz LPVVJLQYUVPPAT-IRXDYDNUSA-N 2 1 296.499 3.029 20 0 CGADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001474301159 937849157 /nfs/dbraw/zinc/84/91/57/937849157.db2.gz GIXFJROFOCQOQH-YXYCDRMUSA-N 2 1 278.484 3.379 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H]1C1CCCC1 ZINC001474301336 937849397 /nfs/dbraw/zinc/84/93/97/937849397.db2.gz JRZXSLBURKFRBS-HOCLYGCPSA-N 2 1 273.424 3.064 20 0 CGADMP CO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C12CCC2 ZINC001474536852 937866056 /nfs/dbraw/zinc/86/60/56/937866056.db2.gz FXGHGOSWLXBIDH-BBWFWOEESA-N 2 1 294.483 3.044 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC001548919757 938154121 /nfs/dbraw/zinc/15/41/21/938154121.db2.gz SRGFUSYECKQUQO-AKHDSKFASA-N 2 1 284.447 3.254 20 0 CGADMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1cc3cc(F)ccc3o1)C2 ZINC001549087511 938154983 /nfs/dbraw/zinc/15/49/83/938154983.db2.gz OPQGXFLFEGAUHZ-SUMWQHHRSA-N 2 1 288.366 3.133 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)cc2c1 ZINC001549710300 938158855 /nfs/dbraw/zinc/15/88/55/938158855.db2.gz PSENVDYCMJNREQ-MJGOQNOKSA-N 2 1 295.430 3.104 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129556 938162746 /nfs/dbraw/zinc/16/27/46/938162746.db2.gz NUCSZAVLOUVBFB-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129556 938162747 /nfs/dbraw/zinc/16/27/47/938162747.db2.gz NUCSZAVLOUVBFB-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129556 938162748 /nfs/dbraw/zinc/16/27/48/938162748.db2.gz NUCSZAVLOUVBFB-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129556 938162749 /nfs/dbraw/zinc/16/27/49/938162749.db2.gz NUCSZAVLOUVBFB-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP [NH3+][C@H]1CC[C@@H](C[N@H+]2Cc3ccccc3C3(CCC3)C2)C1 ZINC001550350559 938166255 /nfs/dbraw/zinc/16/62/55/938166255.db2.gz ZYQFPKXREYOLBS-ZBFHGGJFSA-N 2 1 270.420 3.051 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC001550541135 938167669 /nfs/dbraw/zinc/16/76/69/938167669.db2.gz QVXHTPUNNLQIJK-ZIAGYGMSSA-N 2 1 298.352 3.089 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC001550541135 938167670 /nfs/dbraw/zinc/16/76/70/938167670.db2.gz QVXHTPUNNLQIJK-ZIAGYGMSSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC001550541135 938167671 /nfs/dbraw/zinc/16/76/71/938167671.db2.gz QVXHTPUNNLQIJK-ZIAGYGMSSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC001550541135 938167672 /nfs/dbraw/zinc/16/76/72/938167672.db2.gz QVXHTPUNNLQIJK-ZIAGYGMSSA-N 2 1 298.352 3.089 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001560228092 938248259 /nfs/dbraw/zinc/24/82/59/938248259.db2.gz XWRCXQFLOJGCJK-SFHVURJKSA-N 2 1 299.418 3.045 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001560228092 938248260 /nfs/dbraw/zinc/24/82/60/938248260.db2.gz XWRCXQFLOJGCJK-SFHVURJKSA-N 2 1 299.418 3.045 20 0 CGADMP Cc1ccc(O[C@H](C)C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001560354525 938254896 /nfs/dbraw/zinc/25/48/96/938254896.db2.gz SUTLVHGKNCAOBZ-OAHLLOKOSA-N 2 1 299.418 3.013 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@H]1CNC/C=C/c1cccc(F)c1 ZINC001560531158 938261825 /nfs/dbraw/zinc/26/18/25/938261825.db2.gz VUNKOPSGYZIUPS-YERXGYGTSA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC/C=C/c1cccc(F)c1 ZINC001560531158 938261827 /nfs/dbraw/zinc/26/18/27/938261827.db2.gz VUNKOPSGYZIUPS-YERXGYGTSA-N 2 1 276.399 3.301 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001560756005 938274263 /nfs/dbraw/zinc/27/42/63/938274263.db2.gz XOEWCHVNXIMUNT-KZNAEPCWSA-N 2 1 296.499 3.293 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](C)c1ccc(C)cc1 ZINC001560811436 938276974 /nfs/dbraw/zinc/27/69/74/938276974.db2.gz KSUQILHKTHIFOD-INIZCTEOSA-N 2 1 262.441 3.372 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCc2ccccc2C1 ZINC001560811741 938277225 /nfs/dbraw/zinc/27/72/25/938277225.db2.gz VXFHXTPOSABUKQ-INIZCTEOSA-N 2 1 274.452 3.065 20 0 CGADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001560814812 938277563 /nfs/dbraw/zinc/27/75/63/938277563.db2.gz IQPKZYFVOXKZSN-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)ccc1N(C)C ZINC001560812481 938277685 /nfs/dbraw/zinc/27/76/85/938277685.db2.gz UGEIDPCGWYPXAO-UHFFFAOYSA-N 2 1 295.446 3.055 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)ccc1N(C)C ZINC001560812481 938277687 /nfs/dbraw/zinc/27/76/87/938277687.db2.gz UGEIDPCGWYPXAO-UHFFFAOYSA-N 2 1 295.446 3.055 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc2scnc2c1 ZINC001560814150 938277773 /nfs/dbraw/zinc/27/77/73/938277773.db2.gz QNZJIWLBXDIUHQ-WFASDCNBSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2scnc2c1 ZINC001560814150 938277776 /nfs/dbraw/zinc/27/77/76/938277776.db2.gz QNZJIWLBXDIUHQ-WFASDCNBSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2scnc2c1 ZINC001560814150 938277777 /nfs/dbraw/zinc/27/77/77/938277777.db2.gz QNZJIWLBXDIUHQ-WFASDCNBSA-N 2 1 289.448 3.068 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257207818 960426392 /nfs/dbraw/zinc/42/63/92/960426392.db2.gz LZEARJGYYGEMRH-GOSISDBHSA-N 2 1 287.451 3.304 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccc(F)cc2)CC1 ZINC001258775116 960428902 /nfs/dbraw/zinc/42/89/02/960428902.db2.gz AGGZICASDXWKGI-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC(C)(C)[C@H]1CC[N@@H+](CCCCCCC[NH3+])CCO1 ZINC001575125036 960471216 /nfs/dbraw/zinc/47/12/16/960471216.db2.gz PJZCQNNMDHJSFL-OAHLLOKOSA-N 2 1 270.461 3.033 20 0 CGADMP CC1(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC001576502326 960480378 /nfs/dbraw/zinc/48/03/78/960480378.db2.gz ADHSODJBDOSDPJ-GDBMZVCRSA-N 2 1 264.457 3.406 20 0 CGADMP CSCc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001579382597 960482418 /nfs/dbraw/zinc/48/24/18/960482418.db2.gz GNTMBGWUBXBLNN-QGZVFWFLSA-N 2 1 290.476 3.125 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001580293087 960488076 /nfs/dbraw/zinc/48/80/76/960488076.db2.gz PFYMQSRQNWZXNI-SJORKVTESA-N 2 1 282.472 3.034 20 0 CGADMP C1=C[C@H]([N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCCC1 ZINC001574773520 962324986 /nfs/dbraw/zinc/32/49/86/962324986.db2.gz FAYGSEKPMVMLHH-ULQDDVLXSA-N 2 1 262.441 3.197 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1cc(F)cc(F)c1 ZINC001576033825 962428775 /nfs/dbraw/zinc/42/87/75/962428775.db2.gz WPQZJFWFFLHVKG-MLGOLLRUSA-N 2 1 294.389 3.333 20 0 CGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC001576380655 962460332 /nfs/dbraw/zinc/46/03/32/962460332.db2.gz WIVISWZRUXDFST-HOTGVXAUSA-N 2 1 288.366 3.301 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001576669670 962480333 /nfs/dbraw/zinc/48/03/33/962480333.db2.gz STUTXAZIFJCAHS-KLHDSHLOSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001576669670 962480342 /nfs/dbraw/zinc/48/03/42/962480342.db2.gz STUTXAZIFJCAHS-KLHDSHLOSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[NH2+]1 ZINC001576669877 962485982 /nfs/dbraw/zinc/48/59/82/962485982.db2.gz BITLNMUDZDEVQA-YUDUHTQSSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC2(CC[NH2+]CC2)O1 ZINC001576800578 962492291 /nfs/dbraw/zinc/49/22/91/962492291.db2.gz KJWYJFUGIKDZJB-CVEARBPZSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CC[N@@H+](CCC2([NH3+])CCOCC2)CC12CCCCC2 ZINC001576729144 962494931 /nfs/dbraw/zinc/49/49/31/962494931.db2.gz DSBKRBRMTMCOFB-INIZCTEOSA-N 2 1 294.483 3.177 20 0 CGADMP CCC(CC)(C[NH3+])C[N@H+]1CCc2c(C)cccc2C1 ZINC001577051122 962507637 /nfs/dbraw/zinc/50/76/37/962507637.db2.gz IDADPMLTGQXTSA-UHFFFAOYSA-N 2 1 260.425 3.118 20 0 CGADMP CCC[C@H](C[NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC001577357914 962528570 /nfs/dbraw/zinc/52/85/70/962528570.db2.gz KLHIQDJRIIRSKJ-CVEARBPZSA-N 2 1 260.425 3.158 20 0 CGADMP CC[N@@H+](CCOc1ccccc1C)CC[C@H]1CCC[NH2+]C1 ZINC001577725522 962563508 /nfs/dbraw/zinc/56/35/08/962563508.db2.gz ANCCYBQZXSFPNJ-QGZVFWFLSA-N 2 1 290.451 3.085 20 0 CGADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc2ccccc21 ZINC001579150362 962608154 /nfs/dbraw/zinc/60/81/54/962608154.db2.gz HXQBNDRTLAYZSN-UHFFFAOYSA-N 2 1 286.419 3.265 20 0 CGADMP COc1cccc(CCC[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC001579273892 962622890 /nfs/dbraw/zinc/62/28/90/962622890.db2.gz ILBCASUWOIAIBI-CRAIPNDOSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CCO1 ZINC001579470807 962630437 /nfs/dbraw/zinc/63/04/37/962630437.db2.gz GQAVVGUTEIOIFM-CYGHRXIMSA-N 2 1 294.483 3.174 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@@H](C[NH3+])C(C)C)C2)cc1 ZINC001579678226 962654684 /nfs/dbraw/zinc/65/46/84/962654684.db2.gz IVSZIEKWUWGIQZ-IAGOWNOFSA-N 2 1 260.425 3.015 20 0 CGADMP Cc1ccccc1SC[C@@H](C)C[N@@H+]1CCC[NH2+]CC1 ZINC001579804359 962678156 /nfs/dbraw/zinc/67/81/56/962678156.db2.gz AWOCQZPBZGGHLT-AWEZNQCLSA-N 2 1 278.465 3.019 20 0 CGADMP Cc1ccccc1SC[C@@H](C)C[N@H+]1CCC[NH2+]CC1 ZINC001579804359 962678170 /nfs/dbraw/zinc/67/81/70/962678170.db2.gz AWOCQZPBZGGHLT-AWEZNQCLSA-N 2 1 278.465 3.019 20 0 CGADMP Cc1ccccc1OCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC001579804874 962681178 /nfs/dbraw/zinc/68/11/78/962681178.db2.gz PMIKBWUAGGLNKB-ULQDDVLXSA-N 2 1 290.451 3.069 20 0 CGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC001580893207 962743489 /nfs/dbraw/zinc/74/34/89/962743489.db2.gz XMMCHECNAFLJEF-OKZBNKHCSA-N 2 1 270.420 3.213 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)[C@@H](C)C1 ZINC000337531981 214142759 /nfs/dbraw/zinc/14/27/59/214142759.db2.gz VPAVPIURBSWINA-ULQDDVLXSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](c1cccc(O)c1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000125155798 187172211 /nfs/dbraw/zinc/17/22/11/187172211.db2.gz IUGMVASWRRTCQK-OAHLLOKOSA-N 2 1 276.424 3.261 20 0 CGADMP C[C@H](c1cccc(O)c1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000125155798 187172212 /nfs/dbraw/zinc/17/22/12/187172212.db2.gz IUGMVASWRRTCQK-OAHLLOKOSA-N 2 1 276.424 3.261 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651669110 398266004 /nfs/dbraw/zinc/26/60/04/398266004.db2.gz FUCCUCDOUQENAV-CQSZACIVSA-N 2 1 287.407 3.182 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651669110 398266008 /nfs/dbraw/zinc/26/60/08/398266008.db2.gz FUCCUCDOUQENAV-CQSZACIVSA-N 2 1 287.407 3.182 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2cnccc2o1 ZINC000651809346 398290827 /nfs/dbraw/zinc/29/08/27/398290827.db2.gz UQHPVKMKERRZHX-UHFFFAOYSA-N 2 1 287.407 3.136 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2cnccc2o1 ZINC000651809346 398290828 /nfs/dbraw/zinc/29/08/28/398290828.db2.gz UQHPVKMKERRZHX-UHFFFAOYSA-N 2 1 287.407 3.136 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccn1CCC(C)C ZINC000337940055 214322183 /nfs/dbraw/zinc/32/21/83/214322183.db2.gz BMFBOOLBVLDSGI-UHFFFAOYSA-N 2 1 288.439 3.219 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1coc2ccccc12 ZINC000337954010 214329683 /nfs/dbraw/zinc/32/96/83/214329683.db2.gz NATXYMWLLPGIJN-UHFFFAOYSA-N 2 1 269.348 3.118 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000651866222 398298785 /nfs/dbraw/zinc/29/87/85/398298785.db2.gz ZWRZNTVUCPRPCU-KZNAEPCWSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1nccc2ccccc21 ZINC000651865862 398298810 /nfs/dbraw/zinc/29/88/10/398298810.db2.gz KGIYBFJEYGBTOH-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1nccc2ccccc21 ZINC000651865862 398298812 /nfs/dbraw/zinc/29/88/12/398298812.db2.gz KGIYBFJEYGBTOH-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC000651873657 398299656 /nfs/dbraw/zinc/29/96/56/398299656.db2.gz QGXCBHPVSYOZIA-UHFFFAOYSA-N 2 1 288.435 3.146 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000651866079 398299094 /nfs/dbraw/zinc/29/90/94/398299094.db2.gz UBMBOZZACOBAIB-INIZCTEOSA-N 2 1 292.467 3.281 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337983844 214344833 /nfs/dbraw/zinc/34/48/33/214344833.db2.gz BYKQYHIRUPZFHN-TXCZRRACSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000337983844 214344835 /nfs/dbraw/zinc/34/48/35/214344835.db2.gz BYKQYHIRUPZFHN-TXCZRRACSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337993732 214350285 /nfs/dbraw/zinc/35/02/85/214350285.db2.gz SWHLMHXWLNOIMN-ROUUACIJSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000651911414 398305548 /nfs/dbraw/zinc/30/55/48/398305548.db2.gz XPDPLQFICJDQAI-ZWKOTPCHSA-N 2 1 270.420 3.067 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCSC1)C1CCCCC1 ZINC000651910587 398305628 /nfs/dbraw/zinc/30/56/28/398305628.db2.gz ZTBCZJOKWRUVRH-CQSZACIVSA-N 2 1 270.486 3.126 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)[C@@H](C)C1 ZINC000651911713 398305996 /nfs/dbraw/zinc/30/59/96/398305996.db2.gz UDNLHSGTNIPCLT-ZQDZILKHSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000338014990 214362976 /nfs/dbraw/zinc/36/29/76/214362976.db2.gz IUHNGYCUNGMSCZ-LBPRGKRZSA-N 2 1 285.382 3.385 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000652190082 398326855 /nfs/dbraw/zinc/32/68/55/398326855.db2.gz BEKSFXFAXORTPL-QGZVFWFLSA-N 2 1 289.398 3.479 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000423457045 529453606 /nfs/dbraw/zinc/45/36/06/529453606.db2.gz FEKKFFQKRMNOIA-STQMWFEESA-N 2 1 285.229 3.227 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423486586 529568897 /nfs/dbraw/zinc/56/88/97/529568897.db2.gz ZOMSWKUAVIJMQR-ZIAGYGMSSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000423457041 529569286 /nfs/dbraw/zinc/56/92/86/529569286.db2.gz FEKKFFQKRMNOIA-CHWSQXEVSA-N 2 1 285.229 3.227 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000414192636 529605975 /nfs/dbraw/zinc/60/59/75/529605975.db2.gz STHIMZZOXPOTTJ-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc(Br)c1 ZINC000423280376 529611614 /nfs/dbraw/zinc/61/16/14/529611614.db2.gz UATVBXWAFWPKJR-KGLIPLIRSA-N 2 1 299.256 3.473 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000126106916 187218211 /nfs/dbraw/zinc/21/82/11/187218211.db2.gz HARSLSFYMQEWOH-MCIONIFRSA-N 2 1 280.481 3.344 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(OC(F)F)cc1 ZINC000423283708 529611781 /nfs/dbraw/zinc/61/17/81/529611781.db2.gz XIXVEXOUPJHRFY-KGLIPLIRSA-N 2 1 286.366 3.312 20 0 CGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCc1c[nH+]cn1C ZINC000623086483 349757906 /nfs/dbraw/zinc/75/79/06/349757906.db2.gz UOMRMMSMMDWJTN-LCYFTJDESA-N 2 1 289.810 3.309 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453091231 282209420 /nfs/dbraw/zinc/20/94/20/282209420.db2.gz QVTDUJLCDMANCG-BXUZGUMPSA-N 2 1 275.421 3.481 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000183138509 282211056 /nfs/dbraw/zinc/21/10/56/282211056.db2.gz ZHOJMPPBVXDSDN-RZLSGREXSA-N 2 1 263.429 3.242 20 0 CGADMP COc1cc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1Cl ZINC000623358469 349788421 /nfs/dbraw/zinc/78/84/21/349788421.db2.gz BJHVKTGBEHCKBY-HUUCEWRRSA-N 2 1 294.826 3.065 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000423453465 529666579 /nfs/dbraw/zinc/66/65/79/529666579.db2.gz XQYGEHRLAKYGRB-CWSCBRNRSA-N 2 1 272.339 3.064 20 0 CGADMP COC1CC[NH+](C2(C[NH2+]CCCC(C)C)CCCC2)CC1 ZINC000338434566 214592666 /nfs/dbraw/zinc/59/26/66/214592666.db2.gz IVQDNOCQCNRVIA-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623403478 349799388 /nfs/dbraw/zinc/79/93/88/349799388.db2.gz XGXMJPCPYGSOCT-CZUORRHYSA-N 2 1 278.415 3.392 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119308 282256388 /nfs/dbraw/zinc/25/63/88/282256388.db2.gz BPFVSVHUDSEWON-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623451696 349812838 /nfs/dbraw/zinc/81/28/38/349812838.db2.gz GLCXPWWLXWOHHQ-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)CC1(C)C ZINC000623503081 349821566 /nfs/dbraw/zinc/82/15/66/349821566.db2.gz LDEJWPSFHGLVJY-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1csc([C@@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623491002 349819306 /nfs/dbraw/zinc/81/93/06/349819306.db2.gz AFDLSMCBQWHDON-WCQYABFASA-N 2 1 281.469 3.017 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000623656961 349858495 /nfs/dbraw/zinc/85/84/95/349858495.db2.gz GVNQSGBYLSXHGO-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000623656961 349858499 /nfs/dbraw/zinc/85/84/99/349858499.db2.gz GVNQSGBYLSXHGO-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000623656597 349858773 /nfs/dbraw/zinc/85/87/73/349858773.db2.gz YBOVSUGIOMCJSJ-GJBHZFNWSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cc(CNC[C@H]2CCC[N@H+]2C)c(OC(F)F)cc1C ZINC000623634672 349852598 /nfs/dbraw/zinc/85/25/98/349852598.db2.gz QSOPSRLRQLUCIA-CQSZACIVSA-N 2 1 298.377 3.089 20 0 CGADMP Cc1cc(CNC[C@H]2CCC[N@@H+]2C)c(OC(F)F)cc1C ZINC000623634672 349852600 /nfs/dbraw/zinc/85/26/00/349852600.db2.gz QSOPSRLRQLUCIA-CQSZACIVSA-N 2 1 298.377 3.089 20 0 CGADMP C[N@@H+](CCCCOc1ccccc1)CC1CC[NH+](C)CC1 ZINC000357589170 529884939 /nfs/dbraw/zinc/88/49/39/529884939.db2.gz CAACJQFQYPKBMO-UHFFFAOYSA-N 2 1 290.451 3.119 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000435880303 529965034 /nfs/dbraw/zinc/96/50/34/529965034.db2.gz OEBXQKHMYSMUNV-CYBMUJFWSA-N 2 1 281.469 3.055 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000435880303 529965035 /nfs/dbraw/zinc/96/50/35/529965035.db2.gz OEBXQKHMYSMUNV-CYBMUJFWSA-N 2 1 281.469 3.055 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423256360 529985447 /nfs/dbraw/zinc/98/54/47/529985447.db2.gz BQQRGLNJRNOKHH-OAHLLOKOSA-N 3 1 297.531 3.111 20 0 CGADMP C[NH2+][C@@H](C)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000423401923 530041108 /nfs/dbraw/zinc/04/11/08/530041108.db2.gz WLRGEVPFUFGVHD-JKSUJKDBSA-N 2 1 282.431 3.405 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000051790418 345093096 /nfs/dbraw/zinc/09/30/96/345093096.db2.gz DGAYDWFXHKRWEG-NADMHLTPSA-N 2 1 258.409 3.020 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000071120160 345401569 /nfs/dbraw/zinc/40/15/69/345401569.db2.gz KBBKJRIZVKSTGR-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC000150192826 232203308 /nfs/dbraw/zinc/20/33/08/232203308.db2.gz QUCAKJJHHLCONL-RISCZKNCSA-N 2 1 268.351 3.197 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC000150192611 232203750 /nfs/dbraw/zinc/20/37/50/232203750.db2.gz QUCAKJJHHLCONL-SMDDNHRTSA-N 2 1 268.351 3.197 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000078563605 345613887 /nfs/dbraw/zinc/61/38/87/345613887.db2.gz ZGHSVIJEFQPGBA-OAHLLOKOSA-N 2 1 283.419 3.403 20 0 CGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1F ZINC000152692505 232211360 /nfs/dbraw/zinc/21/13/60/232211360.db2.gz TWTAYMCUZIFNMB-LBPRGKRZSA-N 2 1 292.398 3.112 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000079651890 345650383 /nfs/dbraw/zinc/65/03/83/345650383.db2.gz PMPJHPDSDQAMIP-CQSZACIVSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000079745995 345654314 /nfs/dbraw/zinc/65/43/14/345654314.db2.gz ZKRUJJLNEBEDSD-DZGCQCFKSA-N 2 1 263.429 3.386 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081630632 345716511 /nfs/dbraw/zinc/71/65/11/345716511.db2.gz VQQLBPFTKMYJMK-LJQANCHMSA-N 2 1 286.463 3.413 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081630632 345716515 /nfs/dbraw/zinc/71/65/15/345716515.db2.gz VQQLBPFTKMYJMK-LJQANCHMSA-N 2 1 286.463 3.413 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081630632 345716518 /nfs/dbraw/zinc/71/65/18/345716518.db2.gz VQQLBPFTKMYJMK-LJQANCHMSA-N 2 1 286.463 3.413 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090106329 345783251 /nfs/dbraw/zinc/78/32/51/345783251.db2.gz DPVHSIZKNABHCK-GJVDQKBNSA-N 2 1 264.457 3.274 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113515675 345961077 /nfs/dbraw/zinc/96/10/77/345961077.db2.gz CTBQGKXWRXQOOV-GOSISDBHSA-N 2 1 274.452 3.269 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000125082669 346015375 /nfs/dbraw/zinc/01/53/75/346015375.db2.gz SVICTPASSCRXNV-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000232646821 346327118 /nfs/dbraw/zinc/32/71/18/346327118.db2.gz UQZSVHVZOLWVPY-HNNXBMFYSA-N 2 1 280.843 3.468 20 0 CGADMP Clc1cccc2c1SCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335567732 212277309 /nfs/dbraw/zinc/27/73/09/212277309.db2.gz NVOSQJWJIGHBLM-ZDUSSCGKSA-N 2 1 282.840 3.219 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000228206442 346313962 /nfs/dbraw/zinc/31/39/62/346313962.db2.gz NZGSMYPTVCHMNS-HRCADAONSA-N 2 1 260.425 3.342 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000251019919 346387495 /nfs/dbraw/zinc/38/74/95/346387495.db2.gz MFESWFCYOVUYTI-BBWFWOEESA-N 2 1 272.436 3.499 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000251019919 346387498 /nfs/dbraw/zinc/38/74/98/346387498.db2.gz MFESWFCYOVUYTI-BBWFWOEESA-N 2 1 272.436 3.499 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000314018596 346480774 /nfs/dbraw/zinc/48/07/74/346480774.db2.gz RXHYQIICZPCGOU-GFCCVEGCSA-N 2 1 277.799 3.357 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000394556375 346576876 /nfs/dbraw/zinc/57/68/76/346576876.db2.gz CUVOFORPRIXJCR-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000351852276 219226461 /nfs/dbraw/zinc/22/64/61/219226461.db2.gz MHMDJICSMHYCNV-LSDHHAIUSA-N 2 1 278.465 3.065 20 0 CGADMP CSCC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000599069617 347713895 /nfs/dbraw/zinc/71/38/95/347713895.db2.gz HXTPGFGPFHZLLI-PCKAHOCUSA-N 2 1 284.513 3.230 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000351863940 219230800 /nfs/dbraw/zinc/23/08/00/219230800.db2.gz VWVWURQEEPAOMI-CRAIPNDOSA-N 2 1 298.430 3.278 20 0 CGADMP CSCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602498357 347969861 /nfs/dbraw/zinc/96/98/61/347969861.db2.gz ISCWNCDJEOQVBD-WBVHZDCISA-N 2 1 290.476 3.307 20 0 CGADMP CSCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602498357 347969862 /nfs/dbraw/zinc/96/98/62/347969862.db2.gz ISCWNCDJEOQVBD-WBVHZDCISA-N 2 1 290.476 3.307 20 0 CGADMP CSCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602498356 347970054 /nfs/dbraw/zinc/97/00/54/347970054.db2.gz ISCWNCDJEOQVBD-RDJZCZTQSA-N 2 1 290.476 3.307 20 0 CGADMP CSCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602498356 347970057 /nfs/dbraw/zinc/97/00/57/347970057.db2.gz ISCWNCDJEOQVBD-RDJZCZTQSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000624120547 349977618 /nfs/dbraw/zinc/97/76/18/349977618.db2.gz BLUWSAKSZCLRES-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120833 349978725 /nfs/dbraw/zinc/97/87/25/349978725.db2.gz HWVGLBYSWUOJBU-GUYCJALGSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000624122108 349980012 /nfs/dbraw/zinc/98/00/12/349980012.db2.gz JXVHOIUWXXTTRB-DOTOQJQBSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000624122194 349980041 /nfs/dbraw/zinc/98/00/41/349980041.db2.gz MAZRJTKKQDWAJF-HOTGVXAUSA-N 2 1 289.467 3.135 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cn1 ZINC000624122291 349981575 /nfs/dbraw/zinc/98/15/75/349981575.db2.gz NWIQGNRCNXGYBR-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000624122291 349981579 /nfs/dbraw/zinc/98/15/79/349981579.db2.gz NWIQGNRCNXGYBR-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000624123040 349981050 /nfs/dbraw/zinc/98/10/50/349981050.db2.gz DQGISFVEDMBVSG-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(F)c1F ZINC000624122287 349981062 /nfs/dbraw/zinc/98/10/62/349981062.db2.gz NRPRYELHUQLGHV-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000624122287 349981065 /nfs/dbraw/zinc/98/10/65/349981065.db2.gz NRPRYELHUQLGHV-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCCCC1 ZINC000624123402 349982422 /nfs/dbraw/zinc/98/24/22/349982422.db2.gz LESDYAQXJDNZLA-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc2cnccc2o1 ZINC000624123227 349982455 /nfs/dbraw/zinc/98/24/55/349982455.db2.gz IGYODDDORIPUGZ-KGLIPLIRSA-N 2 1 287.407 3.210 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000624123227 349982460 /nfs/dbraw/zinc/98/24/60/349982460.db2.gz IGYODDDORIPUGZ-KGLIPLIRSA-N 2 1 287.407 3.210 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000624123042 349982040 /nfs/dbraw/zinc/98/20/40/349982040.db2.gz DQGISFVEDMBVSG-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000339409459 215154888 /nfs/dbraw/zinc/15/48/88/215154888.db2.gz YXBKQSFAOBEMNV-WMZOPIPTSA-N 2 1 274.452 3.487 20 0 CGADMP Cc1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000606911939 348207341 /nfs/dbraw/zinc/20/73/41/348207341.db2.gz OFVLOEPIXGSDRM-HOTGVXAUSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000606911939 348207344 /nfs/dbraw/zinc/20/73/44/348207344.db2.gz OFVLOEPIXGSDRM-HOTGVXAUSA-N 2 1 284.403 3.458 20 0 CGADMP CC(C)CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000339410382 215155436 /nfs/dbraw/zinc/15/54/36/215155436.db2.gz RNJXOVMVMBOFEC-CQSZACIVSA-N 2 1 293.480 3.133 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000607358156 348235455 /nfs/dbraw/zinc/23/54/55/348235455.db2.gz IUMYEPCNXXZUJW-CQSZACIVSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1ccccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358156 348235459 /nfs/dbraw/zinc/23/54/59/348235459.db2.gz IUMYEPCNXXZUJW-CQSZACIVSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1ccccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358156 348235462 /nfs/dbraw/zinc/23/54/62/348235462.db2.gz IUMYEPCNXXZUJW-CQSZACIVSA-N 2 1 280.843 3.156 20 0 CGADMP Cc1ncc(CNCc2cccnc2C)n1-c1ccccc1 ZINC000608142016 348289156 /nfs/dbraw/zinc/28/91/56/348289156.db2.gz AMGUWZXFHQUODS-UHFFFAOYSA-N 2 1 292.386 3.174 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000273357801 192124209 /nfs/dbraw/zinc/12/42/09/192124209.db2.gz ZJSGZBBAQBRBGW-UHFFFAOYSA-N 2 1 283.419 3.337 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339499382 215212201 /nfs/dbraw/zinc/21/22/01/215212201.db2.gz WPSOTYQOCJTHTF-YQQAZPJKSA-N 2 1 278.415 3.377 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339499382 215212203 /nfs/dbraw/zinc/21/22/03/215212203.db2.gz WPSOTYQOCJTHTF-YQQAZPJKSA-N 2 1 278.415 3.377 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054975 233048918 /nfs/dbraw/zinc/04/89/18/233048918.db2.gz BIJOWRVEUMPBEW-LBTNJELSSA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054975 233048922 /nfs/dbraw/zinc/04/89/22/233048922.db2.gz BIJOWRVEUMPBEW-LBTNJELSSA-N 2 1 283.419 3.053 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000339509313 215220047 /nfs/dbraw/zinc/22/00/47/215220047.db2.gz JNXAOWVHQWQQPN-WBVHZDCISA-N 2 1 281.403 3.041 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC23CC3)[C@@H]2CCC[C@H]21 ZINC000624315974 350025732 /nfs/dbraw/zinc/02/57/32/350025732.db2.gz HTIOPAUMHMDWEV-YHUYYLMFSA-N 2 1 262.441 3.029 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000359220932 233281835 /nfs/dbraw/zinc/28/18/35/233281835.db2.gz ODBKXCPNROIXIF-AWEZNQCLSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000625445639 350172943 /nfs/dbraw/zinc/17/29/43/350172943.db2.gz GFSLRUGQXYRBAG-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000625445639 350172947 /nfs/dbraw/zinc/17/29/47/350172947.db2.gz GFSLRUGQXYRBAG-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000625445639 350172950 /nfs/dbraw/zinc/17/29/50/350172950.db2.gz GFSLRUGQXYRBAG-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H](C)C1(F)F ZINC000625648191 350188500 /nfs/dbraw/zinc/18/85/00/350188500.db2.gz PDTJUVXKKOZBBN-MGPQQGTHSA-N 2 1 274.399 3.084 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000628203095 350439360 /nfs/dbraw/zinc/43/93/60/350439360.db2.gz SRCFACOOIWNIKG-NXHRZFHOSA-N 2 1 272.436 3.315 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000628203095 350439363 /nfs/dbraw/zinc/43/93/63/350439363.db2.gz SRCFACOOIWNIKG-NXHRZFHOSA-N 2 1 272.436 3.315 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000628234999 350456031 /nfs/dbraw/zinc/45/60/31/350456031.db2.gz VJXDYVDPXIYHGL-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000628234999 350456033 /nfs/dbraw/zinc/45/60/33/350456033.db2.gz VJXDYVDPXIYHGL-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000628234999 350456035 /nfs/dbraw/zinc/45/60/35/350456035.db2.gz VJXDYVDPXIYHGL-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000628234999 350456037 /nfs/dbraw/zinc/45/60/37/350456037.db2.gz VJXDYVDPXIYHGL-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC(F)(F)C1 ZINC000628353284 350514653 /nfs/dbraw/zinc/51/46/53/350514653.db2.gz PMLMULMXQRBYDT-JSGCOSHPSA-N 2 1 286.410 3.132 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000628425853 350536891 /nfs/dbraw/zinc/53/68/91/350536891.db2.gz XPUUZSULCFHUSQ-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP CC[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000629551477 350712198 /nfs/dbraw/zinc/71/21/98/350712198.db2.gz UGKQWCVXOOOWDC-RYUDHWBXSA-N 2 1 278.362 3.229 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCCC3(CC3)CC1)C[NH2+]CC2 ZINC000629587120 350714994 /nfs/dbraw/zinc/71/49/94/350714994.db2.gz YJZDVKYVGCVESZ-UHFFFAOYSA-N 2 1 270.420 3.098 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629397369 350688639 /nfs/dbraw/zinc/68/86/39/350688639.db2.gz UFWKVJFTQMPIJT-USXIJHARSA-N 2 1 260.425 3.128 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629397449 350689551 /nfs/dbraw/zinc/68/95/51/350689551.db2.gz VQNBUBXOGNNYPY-HLLBOEOZSA-N 2 1 260.425 3.046 20 0 CGADMP FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409832 350690087 /nfs/dbraw/zinc/69/00/87/350690087.db2.gz QCZPXNYSXIGAKA-RBSFLKMASA-N 2 1 298.352 3.293 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629415457 350690769 /nfs/dbraw/zinc/69/07/69/350690769.db2.gz QPFRKQLDOQVIJU-UAGQMJEPSA-N 2 1 260.425 3.046 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000629509653 350698991 /nfs/dbraw/zinc/69/89/91/350698991.db2.gz GPGSCMFFSAPBGZ-HUUCEWRRSA-N 2 1 289.467 3.327 20 0 CGADMP Cc1[nH+]cc(-c2cccc(OCC[NH+]3CCCCC3)c2)n1C ZINC000630051651 350801462 /nfs/dbraw/zinc/80/14/62/350801462.db2.gz QOCMBNQLZIXYMM-UHFFFAOYSA-N 2 1 299.418 3.260 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000630072184 350805847 /nfs/dbraw/zinc/80/58/47/350805847.db2.gz ALQSQKBNIXKSSS-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)cc1F ZINC000631063916 350941079 /nfs/dbraw/zinc/94/10/79/350941079.db2.gz OUHCCOAZKWLYSE-CYBMUJFWSA-N 2 1 275.371 3.065 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2C)[C@@H](C)C1 ZINC000631082778 350947775 /nfs/dbraw/zinc/94/77/75/350947775.db2.gz FAJHFHLLFKKLBD-XHDPSFHLSA-N 2 1 266.454 3.185 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631659525 351108978 /nfs/dbraw/zinc/10/89/78/351108978.db2.gz RPAIVYGCXBNLLG-ZBFHGGJFSA-N 2 1 278.415 3.235 20 0 CGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631564256 351067910 /nfs/dbraw/zinc/06/79/10/351067910.db2.gz GVCVYESMDDCABL-GOSISDBHSA-N 2 1 287.451 3.171 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C)ccn1 ZINC000631566418 351068689 /nfs/dbraw/zinc/06/86/89/351068689.db2.gz NSCWOKTWMDGYFK-WBVHZDCISA-N 2 1 287.451 3.305 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(C)ccn1 ZINC000631566418 351068691 /nfs/dbraw/zinc/06/86/91/351068691.db2.gz NSCWOKTWMDGYFK-WBVHZDCISA-N 2 1 287.451 3.305 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C)ccn1 ZINC000631566417 351068766 /nfs/dbraw/zinc/06/87/66/351068766.db2.gz NSCWOKTWMDGYFK-RDJZCZTQSA-N 2 1 287.451 3.305 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(C)ccn1 ZINC000631566417 351068770 /nfs/dbraw/zinc/06/87/70/351068770.db2.gz NSCWOKTWMDGYFK-RDJZCZTQSA-N 2 1 287.451 3.305 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000631811115 351148315 /nfs/dbraw/zinc/14/83/15/351148315.db2.gz QTFPHGHVVVUEEU-XWIAVFTESA-N 2 1 299.418 3.135 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634678600 351563965 /nfs/dbraw/zinc/56/39/65/351563965.db2.gz ZCZVDHRWJKTYQB-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679585 351564557 /nfs/dbraw/zinc/56/45/57/351564557.db2.gz ZEULYYPSQCXLPO-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679585 351564560 /nfs/dbraw/zinc/56/45/60/351564560.db2.gz ZEULYYPSQCXLPO-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCC2CCCC2)s1 ZINC000352257584 219385962 /nfs/dbraw/zinc/38/59/62/219385962.db2.gz VRTDMSMPRFCECJ-UHFFFAOYSA-N 2 1 281.469 3.265 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC1 ZINC000271480189 191164388 /nfs/dbraw/zinc/16/43/88/191164388.db2.gz KGLILEXTSASVBE-QAPCUYQASA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC1 ZINC000271480189 191164391 /nfs/dbraw/zinc/16/43/91/191164391.db2.gz KGLILEXTSASVBE-QAPCUYQASA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000271504032 191180320 /nfs/dbraw/zinc/18/03/20/191180320.db2.gz MOIMAHOCKVHBLJ-IRXDYDNUSA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000271544081 191202740 /nfs/dbraw/zinc/20/27/40/191202740.db2.gz ZKVIXOJMMHTKHN-HOTGVXAUSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000271544081 191202742 /nfs/dbraw/zinc/20/27/42/191202742.db2.gz ZKVIXOJMMHTKHN-HOTGVXAUSA-N 2 1 275.440 3.305 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)CC1 ZINC000365451589 234104112 /nfs/dbraw/zinc/10/41/12/234104112.db2.gz BOUYDDTUINXLPS-KRWDZBQOSA-N 2 1 274.452 3.380 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000271633740 191251629 /nfs/dbraw/zinc/25/16/29/191251629.db2.gz CYMVOLHLLKIIRA-QGZVFWFLSA-N 2 1 287.382 3.380 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCF ZINC000368509252 234316704 /nfs/dbraw/zinc/31/67/04/234316704.db2.gz YZPIRFPEJDFHGC-NVXWUHKLSA-N 2 1 278.415 3.236 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCF ZINC000368509252 234316707 /nfs/dbraw/zinc/31/67/07/234316707.db2.gz YZPIRFPEJDFHGC-NVXWUHKLSA-N 2 1 278.415 3.236 20 0 CGADMP C[C@H]1C[C@@H](NCc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000155161882 188187962 /nfs/dbraw/zinc/18/79/62/188187962.db2.gz GSPGSDIMNCICFP-JQWIXIFHSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CCN1C ZINC000155161882 188187964 /nfs/dbraw/zinc/18/79/64/188187964.db2.gz GSPGSDIMNCICFP-JQWIXIFHSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000155161882 188187965 /nfs/dbraw/zinc/18/79/65/188187965.db2.gz GSPGSDIMNCICFP-JQWIXIFHSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000155161882 188187966 /nfs/dbraw/zinc/18/79/66/188187966.db2.gz GSPGSDIMNCICFP-JQWIXIFHSA-N 2 1 270.779 3.051 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)CC2 ZINC000164617729 188625302 /nfs/dbraw/zinc/62/53/02/188625302.db2.gz VKOXGRDLNREGRR-SFHVURJKSA-N 2 1 299.418 3.257 20 0 CGADMP CCOc1ccccc1[C@H](CC)[NH2+]CCn1cc[nH+]c1C ZINC000271739164 191300453 /nfs/dbraw/zinc/30/04/53/191300453.db2.gz IFIUNGLEYWXGOB-INIZCTEOSA-N 2 1 287.407 3.331 20 0 CGADMP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)cc1 ZINC000271835551 191356757 /nfs/dbraw/zinc/35/67/57/191356757.db2.gz JTWQMBIGGAKPMQ-GOSISDBHSA-N 2 1 299.418 3.331 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000271888178 191391417 /nfs/dbraw/zinc/39/14/17/191391417.db2.gz REOCPVBAFAUTQG-OAHLLOKOSA-N 2 1 274.433 3.075 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272298993 191641876 /nfs/dbraw/zinc/64/18/76/191641876.db2.gz GRHRMHZTCXMFHS-DAYGRLMNSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414170505 235352852 /nfs/dbraw/zinc/35/28/52/235352852.db2.gz CHMNHSXAFCOWAG-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414170403 235352912 /nfs/dbraw/zinc/35/29/12/235352912.db2.gz BVVQUCXBTJMBFG-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CCCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000107775381 138358684 /nfs/dbraw/zinc/35/86/84/138358684.db2.gz VBGCCAHCHWXAMS-DLBZAZTESA-N 2 1 288.435 3.192 20 0 CGADMP CCCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000107775381 138358686 /nfs/dbraw/zinc/35/86/86/138358686.db2.gz VBGCCAHCHWXAMS-DLBZAZTESA-N 2 1 288.435 3.192 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000106868552 138355865 /nfs/dbraw/zinc/35/58/65/138355865.db2.gz HTOFIJLMOYHBJA-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP COCc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000125545225 138383176 /nfs/dbraw/zinc/38/31/76/138383176.db2.gz XTTIINFRBNHPRK-OAHLLOKOSA-N 2 1 294.439 3.170 20 0 CGADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000189136947 138457022 /nfs/dbraw/zinc/45/70/22/138457022.db2.gz WTPPTGQLFKNQPL-UHFFFAOYSA-N 2 1 291.414 3.107 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423310704 236033709 /nfs/dbraw/zinc/03/37/09/236033709.db2.gz AUXASQXUJSQIMD-BLLLJJGKSA-N 2 1 260.425 3.372 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H](Cc1ccccc1F)c1ccccc1)C1CC1 ZINC000423317877 236036778 /nfs/dbraw/zinc/03/67/78/236036778.db2.gz KTYUGNIEVRAILX-RBUKOAKNSA-N 2 1 298.405 3.436 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1)C1CC1 ZINC000423317874 236037116 /nfs/dbraw/zinc/03/71/16/236037116.db2.gz KTYUGNIEVRAILX-MOPGFXCFSA-N 2 1 298.405 3.436 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423364428 236051915 /nfs/dbraw/zinc/05/19/15/236051915.db2.gz AQHJLXXKVSBCOO-RRQGHBQHSA-N 3 1 298.434 3.101 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423368844 236053356 /nfs/dbraw/zinc/05/33/56/236053356.db2.gz NRPQBEGLSLLFCT-UWVGGRQHSA-N 2 1 274.380 3.042 20 0 CGADMP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cnn1C(C)(C)C ZINC000423495681 236087509 /nfs/dbraw/zinc/08/75/09/236087509.db2.gz CLZMUOLCFRKFJC-MLGOLLRUSA-N 2 1 292.471 3.115 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000424365422 236157028 /nfs/dbraw/zinc/15/70/28/236157028.db2.gz GXGHDHHFEWFRFQ-ZIAGYGMSSA-N 2 1 297.240 3.117 20 0 CGADMP C[C@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424372645 236157663 /nfs/dbraw/zinc/15/76/63/236157663.db2.gz FYHCSWNWLNSOGI-CVEARBPZSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1F)CC[NH2+]CC2 ZINC000424373370 236158693 /nfs/dbraw/zinc/15/86/93/236158693.db2.gz GQXIZQORHDZNND-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000424335632 236152395 /nfs/dbraw/zinc/15/23/95/236152395.db2.gz ZZANYUUWVVCSPF-BLLLJJGKSA-N 2 1 267.376 3.384 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)C[NH+](C)C ZINC000425947820 236275364 /nfs/dbraw/zinc/27/53/64/236275364.db2.gz XHXSJLQSUVQHTH-IUODEOHRSA-N 2 1 296.842 3.341 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000294923065 199250520 /nfs/dbraw/zinc/25/05/20/199250520.db2.gz UAWNEXWFQIWEIE-HNNXBMFYSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000294923065 199250522 /nfs/dbraw/zinc/25/05/22/199250522.db2.gz UAWNEXWFQIWEIE-HNNXBMFYSA-N 2 1 278.465 3.364 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cn1 ZINC000274902739 192834094 /nfs/dbraw/zinc/83/40/94/192834094.db2.gz LOGJMGSLGLXTIJ-YUTCNCBUSA-N 2 1 281.831 3.258 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000177271242 189041125 /nfs/dbraw/zinc/04/11/25/189041125.db2.gz LAOXERNSTGLUDR-ZIAGYGMSSA-N 2 1 278.465 3.348 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000177271242 189041126 /nfs/dbraw/zinc/04/11/26/189041126.db2.gz LAOXERNSTGLUDR-ZIAGYGMSSA-N 2 1 278.465 3.348 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000177767596 189068015 /nfs/dbraw/zinc/06/80/15/189068015.db2.gz ZOXSVENEVMKPOJ-CRAIPNDOSA-N 2 1 298.430 3.291 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc3ccccc3c2)CC[N@H+]1C ZINC000177767596 189068016 /nfs/dbraw/zinc/06/80/16/189068016.db2.gz ZOXSVENEVMKPOJ-CRAIPNDOSA-N 2 1 298.430 3.291 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)s2)[C@H](C)C1 ZINC000177892287 189077220 /nfs/dbraw/zinc/07/72/20/189077220.db2.gz MTMKKPAJVSBCBM-DGCLKSJQSA-N 2 1 286.872 3.264 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000178380365 189111683 /nfs/dbraw/zinc/11/16/83/189111683.db2.gz PZTXMZXJIWLLOJ-YQQAZPJKSA-N 2 1 292.492 3.405 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CC2 ZINC000178698801 189138026 /nfs/dbraw/zinc/13/80/26/189138026.db2.gz INXMQXVGFMWDHK-ACJLOTCBSA-N 2 1 299.418 3.113 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000178707060 189138629 /nfs/dbraw/zinc/13/86/29/189138629.db2.gz ULQFNCYPKZLXQF-LSDHHAIUSA-N 2 1 271.408 3.487 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974241 189159114 /nfs/dbraw/zinc/15/91/14/189159114.db2.gz PNDASMCRECECLJ-CXAGYDPISA-N 2 1 276.399 3.208 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)nc1 ZINC000179136543 189172181 /nfs/dbraw/zinc/17/21/81/189172181.db2.gz PPJYTVGPJOPDJX-YUTCNCBUSA-N 2 1 281.831 3.258 20 0 CGADMP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)s1 ZINC000179501388 189198256 /nfs/dbraw/zinc/19/82/56/189198256.db2.gz ODAVYVOMHPNYPD-UHFFFAOYSA-N 2 1 277.437 3.392 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)s1 ZINC000179501388 189198257 /nfs/dbraw/zinc/19/82/57/189198257.db2.gz ODAVYVOMHPNYPD-UHFFFAOYSA-N 2 1 277.437 3.392 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1 ZINC000180719028 189271865 /nfs/dbraw/zinc/27/18/65/189271865.db2.gz GYIXUKVYSFTEAX-ZBFHGGJFSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccccc2)CC[N@H+]1C ZINC000180955384 189285322 /nfs/dbraw/zinc/28/53/22/189285322.db2.gz INLAPHRNSKVUCJ-WBVHZDCISA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000181509207 189299353 /nfs/dbraw/zinc/29/93/53/189299353.db2.gz PQBMMNHLBFCALC-NVXWUHKLSA-N 2 1 272.436 3.082 20 0 CGADMP COc1ccccc1CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182533319 189327282 /nfs/dbraw/zinc/32/72/82/189327282.db2.gz KIOIGNBYZAYNFT-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182533319 189327283 /nfs/dbraw/zinc/32/72/83/189327283.db2.gz KIOIGNBYZAYNFT-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182533319 189327284 /nfs/dbraw/zinc/32/72/84/189327284.db2.gz KIOIGNBYZAYNFT-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182533319 189327285 /nfs/dbraw/zinc/32/72/85/189327285.db2.gz KIOIGNBYZAYNFT-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000449067563 239157037 /nfs/dbraw/zinc/15/70/37/239157037.db2.gz MOBRDNMFRABZON-MRXNPFEDSA-N 2 1 286.419 3.322 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000449084206 239166919 /nfs/dbraw/zinc/16/69/19/239166919.db2.gz WWXVBQGHCIEHSK-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233017 239258230 /nfs/dbraw/zinc/25/82/30/239258230.db2.gz KBNZYKOXWIRDSY-HLLBOEOZSA-N 2 1 290.451 3.453 20 0 CGADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000120427329 370767167 /nfs/dbraw/zinc/76/71/67/370767167.db2.gz AIXYJMNBMBLZBA-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1F ZINC000275396938 193022232 /nfs/dbraw/zinc/02/22/32/193022232.db2.gz CFOPVIGJNIQPMB-NWDGAFQWSA-N 2 1 291.345 3.075 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275609617 193086371 /nfs/dbraw/zinc/08/63/71/193086371.db2.gz QVEVUBPEGVKMMP-RTBURBONSA-N 2 1 284.447 3.249 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000275590819 193081370 /nfs/dbraw/zinc/08/13/70/193081370.db2.gz JVEWLWKXVNMLCJ-QAPCUYQASA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000275590819 193081371 /nfs/dbraw/zinc/08/13/71/193081371.db2.gz JVEWLWKXVNMLCJ-QAPCUYQASA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000275590819 193081373 /nfs/dbraw/zinc/08/13/73/193081373.db2.gz JVEWLWKXVNMLCJ-QAPCUYQASA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000275590819 193081375 /nfs/dbraw/zinc/08/13/75/193081375.db2.gz JVEWLWKXVNMLCJ-QAPCUYQASA-N 2 1 290.451 3.246 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459432487 242107544 /nfs/dbraw/zinc/10/75/44/242107544.db2.gz FYAOMVUGMTWREM-UHFFFAOYSA-N 2 1 288.435 3.110 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000335544010 212244388 /nfs/dbraw/zinc/24/43/88/212244388.db2.gz PVCNRBAPOYTMSW-LBPRGKRZSA-N 2 1 264.438 3.021 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)c(F)c(F)c1)CC[NH2+]CC2 ZINC000335542375 212241598 /nfs/dbraw/zinc/24/15/98/212241598.db2.gz BWPJMOQFRIUYTH-NSHDSACASA-N 2 1 298.352 3.068 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000459638593 242158690 /nfs/dbraw/zinc/15/86/90/242158690.db2.gz UEJWUYOSCUZDGH-QANKJYHBSA-N 2 1 299.418 3.399 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459731566 242197537 /nfs/dbraw/zinc/19/75/37/242197537.db2.gz FHEABKNJDQKBJD-HOCLYGCPSA-N 2 1 278.415 3.078 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000459738050 242200889 /nfs/dbraw/zinc/20/08/89/242200889.db2.gz XIGNKXNLFRMDKS-GUDXXQAFSA-N 2 1 276.399 3.002 20 0 CGADMP Cc1cc(C)cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459746899 242208775 /nfs/dbraw/zinc/20/87/75/242208775.db2.gz ZGIUUWLMPSWBOV-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459784610 242232332 /nfs/dbraw/zinc/23/23/32/242232332.db2.gz OCINTDRHFZHGMT-NVXWUHKLSA-N 2 1 290.451 3.035 20 0 CGADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1F ZINC000459783536 242233325 /nfs/dbraw/zinc/23/33/25/242233325.db2.gz NKNXGUJQFJDJFL-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000459783466 242233668 /nfs/dbraw/zinc/23/36/68/242233668.db2.gz NHADIERZAVMMRM-SJLPKXTDSA-N 2 1 274.452 3.187 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459790154 242235256 /nfs/dbraw/zinc/23/52/56/242235256.db2.gz RAKFGFKDECPYQI-DLBZAZTESA-N 2 1 274.452 3.248 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H](C)CC[NH+](C)C)[nH+]c2c1 ZINC000460937262 242288220 /nfs/dbraw/zinc/28/82/20/242288220.db2.gz HLJYBJFOADHLRS-AWEZNQCLSA-N 2 1 271.408 3.026 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)C[NH+]1CCCCCC1)CC1CCOCC1 ZINC000479581469 243112840 /nfs/dbraw/zinc/11/28/40/243112840.db2.gz ICNLIMHIYNWGSJ-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000480184369 243142263 /nfs/dbraw/zinc/14/22/63/243142263.db2.gz SJRBBLGCSYKATG-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP Cc1ccc(F)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000480930683 243169163 /nfs/dbraw/zinc/16/91/63/243169163.db2.gz REFGNVCIUXZIDN-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP C[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000122819477 370907401 /nfs/dbraw/zinc/90/74/01/370907401.db2.gz WTXWHZJGDBSWAM-UHFFFAOYSA-N 2 1 295.308 3.005 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994890 368922714 /nfs/dbraw/zinc/92/27/14/368922714.db2.gz VMHFXEIULPRXDW-SFHVURJKSA-N 2 1 272.436 3.170 20 0 CGADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC000036300541 369015899 /nfs/dbraw/zinc/01/58/99/369015899.db2.gz SAIZRQASXLEJFL-UHFFFAOYSA-N 2 1 260.425 3.168 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996720 369049045 /nfs/dbraw/zinc/04/90/45/369049045.db2.gz LDQAOGASGCEPME-OKZBNKHCSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996720 369049048 /nfs/dbraw/zinc/04/90/48/369049048.db2.gz LDQAOGASGCEPME-OKZBNKHCSA-N 2 1 270.420 3.280 20 0 CGADMP Cc1ccccc1C1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000037141054 369067552 /nfs/dbraw/zinc/06/75/52/369067552.db2.gz RCXPWZFTYUGJQQ-UHFFFAOYSA-N 2 1 284.447 3.457 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037141027 369068329 /nfs/dbraw/zinc/06/83/29/369068329.db2.gz FIWCNVRQDPTAOK-QGZVFWFLSA-N 2 1 258.409 3.354 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000037644089 369093038 /nfs/dbraw/zinc/09/30/38/369093038.db2.gz SPXDLOAFZLMJSD-RDJZCZTQSA-N 2 1 260.425 3.378 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000037644042 369093280 /nfs/dbraw/zinc/09/32/80/369093280.db2.gz HEJDPAZYIKFLFZ-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000037648909 369095525 /nfs/dbraw/zinc/09/55/25/369095525.db2.gz RCXJTMQQIOFHSX-ZLPCBKJTSA-N 2 1 284.447 3.315 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037777113 369109678 /nfs/dbraw/zinc/10/96/78/369109678.db2.gz XLMALBPJGAAHED-CCNLRDMRSA-N 2 1 272.436 3.141 20 0 CGADMP CCOc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000037786491 369113464 /nfs/dbraw/zinc/11/34/64/369113464.db2.gz VQAWPQNQBOWHEL-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000343638428 216857032 /nfs/dbraw/zinc/85/70/32/216857032.db2.gz WXHJYLSQGRQXCW-HUUCEWRRSA-N 2 1 299.393 3.090 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000495051060 244349414 /nfs/dbraw/zinc/34/94/14/244349414.db2.gz UZPDVSUHJSSJBN-CKEIUWERSA-N 2 1 260.425 3.272 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049553851 369409767 /nfs/dbraw/zinc/40/97/67/369409767.db2.gz FTIXDWXXVRNROT-ZJUUUORDSA-N 2 1 260.834 3.392 20 0 CGADMP CCC[N@@H+](Cc1ccc(CC)cc1)C1CC[NH2+]CC1 ZINC000049962216 369425173 /nfs/dbraw/zinc/42/51/73/369425173.db2.gz JFZLVCDXXNBBEY-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(Cl)c1 ZINC000276519027 193364936 /nfs/dbraw/zinc/36/49/36/193364936.db2.gz BVNGDKYDUKSLAM-SNVBAGLBSA-N 2 1 281.762 3.106 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000070074282 369779679 /nfs/dbraw/zinc/77/96/79/369779679.db2.gz GRILPLHRCWJLNN-INIZCTEOSA-N 2 1 260.425 3.173 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070171500 369786591 /nfs/dbraw/zinc/78/65/91/369786591.db2.gz LHMISIWEXORCQM-GDBMZVCRSA-N 2 1 276.424 3.033 20 0 CGADMP CC(C)n1cncc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000090208658 370059733 /nfs/dbraw/zinc/05/97/33/370059733.db2.gz DGBVVIYNZRSYRB-UHFFFAOYSA-N 2 1 292.471 3.208 20 0 CGADMP CC(C)n1cncc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000090208658 370059738 /nfs/dbraw/zinc/05/97/38/370059738.db2.gz DGBVVIYNZRSYRB-UHFFFAOYSA-N 2 1 292.471 3.208 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)CC[N@H+]1C ZINC000090720833 370065390 /nfs/dbraw/zinc/06/53/90/370065390.db2.gz UFUMQCPXFNEWHT-RISCZKNCSA-N 2 1 297.240 3.021 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000090721283 370067040 /nfs/dbraw/zinc/06/70/40/370067040.db2.gz IXMXRHXKECTNLE-HZPDHXFCSA-N 2 1 260.425 3.184 20 0 CGADMP C[N@H+](Cc1cnc(C(C)(C)C)s1)CC1CC[NH+](C)CC1 ZINC000093089164 370108108 /nfs/dbraw/zinc/10/81/08/370108108.db2.gz WYTFNKWVUJHBQP-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000093644251 370149491 /nfs/dbraw/zinc/14/94/91/370149491.db2.gz ULFGRZOYJAQBGE-RHSMWYFYSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000093644251 370149493 /nfs/dbraw/zinc/14/94/93/370149493.db2.gz ULFGRZOYJAQBGE-RHSMWYFYSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000093644251 370149495 /nfs/dbraw/zinc/14/94/95/370149495.db2.gz ULFGRZOYJAQBGE-RHSMWYFYSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000093644251 370149497 /nfs/dbraw/zinc/14/94/97/370149497.db2.gz ULFGRZOYJAQBGE-RHSMWYFYSA-N 2 1 260.425 3.218 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)s2)[C@H](C)C1 ZINC000093638894 370151189 /nfs/dbraw/zinc/15/11/89/370151189.db2.gz YAOXWXFNHCXUJL-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)s2)[C@H](C)C1 ZINC000093638894 370151192 /nfs/dbraw/zinc/15/11/92/370151192.db2.gz YAOXWXFNHCXUJL-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)s2)[C@H](C)C1 ZINC000093638894 370151196 /nfs/dbraw/zinc/15/11/96/370151196.db2.gz YAOXWXFNHCXUJL-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000513760403 245096179 /nfs/dbraw/zinc/09/61/79/245096179.db2.gz IPTLQWKXZFHJKF-IXDOHACOSA-N 2 1 292.854 3.345 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCCC2)[C@H]2CCC[C@H]21 ZINC000513684043 245088646 /nfs/dbraw/zinc/08/86/46/245088646.db2.gz OHGFMUZFYNUOOC-IXDOHACOSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000116385670 370559639 /nfs/dbraw/zinc/55/96/39/370559639.db2.gz PJALFUADHKIYDY-IRXDYDNUSA-N 2 1 272.436 3.082 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842842 370628075 /nfs/dbraw/zinc/62/80/75/370628075.db2.gz SELDAJNTYLFITC-AWEZNQCLSA-N 2 1 266.816 3.114 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842842 370628078 /nfs/dbraw/zinc/62/80/78/370628078.db2.gz SELDAJNTYLFITC-AWEZNQCLSA-N 2 1 266.816 3.114 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842842 370628087 /nfs/dbraw/zinc/62/80/87/370628087.db2.gz SELDAJNTYLFITC-AWEZNQCLSA-N 2 1 266.816 3.114 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc2ccccc12 ZINC000131713867 371124770 /nfs/dbraw/zinc/12/47/70/371124770.db2.gz LROOWQLGUCRAIK-RYUDHWBXSA-N 2 1 260.406 3.070 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000133381714 371246394 /nfs/dbraw/zinc/24/63/94/371246394.db2.gz QDBSBCSUEYKHFC-HNNXBMFYSA-N 2 1 260.381 3.238 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000133986910 371293876 /nfs/dbraw/zinc/29/38/76/371293876.db2.gz FIYLFDAKMJFDIL-PMPSAXMXSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000133986910 371293880 /nfs/dbraw/zinc/29/38/80/371293880.db2.gz FIYLFDAKMJFDIL-PMPSAXMXSA-N 2 1 260.425 3.437 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1OC(F)F ZINC000133692662 371272819 /nfs/dbraw/zinc/27/28/19/371272819.db2.gz QTICLGOJDUFRCS-RYUDHWBXSA-N 2 1 284.350 3.081 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2scnc2C)CC1 ZINC000134171799 371309172 /nfs/dbraw/zinc/30/91/72/371309172.db2.gz SXMMHYNOMOVTHU-UHFFFAOYSA-N 2 1 295.496 3.395 20 0 CGADMP CCC[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000337306445 376206541 /nfs/dbraw/zinc/20/65/41/376206541.db2.gz VJMYXPUXUQIUQQ-OAHLLOKOSA-N 2 1 275.440 3.418 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000151480745 371605974 /nfs/dbraw/zinc/60/59/74/371605974.db2.gz RWRZWTWJDAYTSY-CZUORRHYSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000287214368 371622408 /nfs/dbraw/zinc/62/24/08/371622408.db2.gz XDKDNXLHURAEGP-NUJGCVRESA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000287214368 371622411 /nfs/dbraw/zinc/62/24/11/371622411.db2.gz XDKDNXLHURAEGP-NUJGCVRESA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+](C)CC1 ZINC000421820617 371643336 /nfs/dbraw/zinc/64/33/36/371643336.db2.gz NBIDUEZQDLTGGI-LLVKDONJSA-N 2 1 284.806 3.094 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(F)cc2F)[C@H](C)C1 ZINC000151855345 371644048 /nfs/dbraw/zinc/64/40/48/371644048.db2.gz RPNQZCIZWISPEX-XNJGSVPQSA-N 2 1 296.405 3.388 20 0 CGADMP C(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152796418 371723326 /nfs/dbraw/zinc/72/33/26/371723326.db2.gz MNIKJTDRPKRJHG-USTZCAOPSA-N 2 1 276.468 3.230 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000152411214 371694018 /nfs/dbraw/zinc/69/40/18/371694018.db2.gz VCMPATARBFSVHZ-XJKSGUPXSA-N 2 1 288.435 3.367 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)C1CCCC1 ZINC000422550459 371748428 /nfs/dbraw/zinc/74/84/28/371748428.db2.gz BDNNYGYTBIZVAC-QGZVFWFLSA-N 2 1 258.409 3.171 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000422640476 371754014 /nfs/dbraw/zinc/75/40/14/371754014.db2.gz VPUAXJTXFZACQT-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP FC(F)(F)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422706280 371761010 /nfs/dbraw/zinc/76/10/10/371761010.db2.gz DURRHJJMUXQCJO-KBPBESRZSA-N 2 1 286.341 3.412 20 0 CGADMP C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000422713882 371765995 /nfs/dbraw/zinc/76/59/95/371765995.db2.gz KKLPKUWNFZOZSM-IINYFYTJSA-N 2 1 287.234 3.266 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000422748854 371781615 /nfs/dbraw/zinc/78/16/15/371781615.db2.gz WNOKJDWNIUBNTK-UONOGXRCSA-N 2 1 252.789 3.090 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337327657 214011048 /nfs/dbraw/zinc/01/10/48/214011048.db2.gz DKGVNOXTLDSYAR-YJBOKZPZSA-N 2 1 287.451 3.182 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC000353338795 220033343 /nfs/dbraw/zinc/03/33/43/220033343.db2.gz USZYPRQMAMQKED-WMLDXEAASA-N 2 1 293.430 3.239 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC000353338795 220033344 /nfs/dbraw/zinc/03/33/44/220033344.db2.gz USZYPRQMAMQKED-WMLDXEAASA-N 2 1 293.430 3.239 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C(C)C ZINC000337332557 214013461 /nfs/dbraw/zinc/01/34/61/214013461.db2.gz ILBKMGWBUYWORU-SJLPKXTDSA-N 2 1 289.467 3.428 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C(C)C ZINC000337332557 214013464 /nfs/dbraw/zinc/01/34/64/214013464.db2.gz ILBKMGWBUYWORU-SJLPKXTDSA-N 2 1 289.467 3.428 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000153924651 371800660 /nfs/dbraw/zinc/80/06/60/371800660.db2.gz ZWUAOYPTHZCWEM-HNNXBMFYSA-N 2 1 263.429 3.111 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1OC(F)F ZINC000422805888 371821233 /nfs/dbraw/zinc/82/12/33/371821233.db2.gz MNRFUYXYAAUDEA-ACJTYDJDSA-N 2 1 296.361 3.222 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1(C)C ZINC000422816670 371826692 /nfs/dbraw/zinc/82/66/92/371826692.db2.gz FRCHEKCAPWTRLD-APHBMKBZSA-N 2 1 291.439 3.129 20 0 CGADMP CC(C)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC000422942356 371883580 /nfs/dbraw/zinc/88/35/80/371883580.db2.gz PLNQKLIAYAKCRO-KJFZJZGVSA-N 2 1 273.424 3.041 20 0 CGADMP C[C@@H]([NH2+][C@@H](COc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422952132 371889399 /nfs/dbraw/zinc/88/93/99/371889399.db2.gz BVRBXLIFRIOATD-BEFAXECRSA-N 2 1 296.414 3.004 20 0 CGADMP C[C@H]([NH2+]CCc1ccc(F)cc1Cl)[C@H]1CCCC[NH2+]1 ZINC000422956255 371891416 /nfs/dbraw/zinc/89/14/16/371891416.db2.gz OXGJBIOZRZPRLM-XHDPSFHLSA-N 2 1 284.806 3.142 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCSCC(C)C)C1 ZINC000155045229 371901655 /nfs/dbraw/zinc/90/16/55/371901655.db2.gz ZILMJNVJPRBMHK-OAHLLOKOSA-N 2 1 272.502 3.039 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000155045229 371901660 /nfs/dbraw/zinc/90/16/60/371901660.db2.gz ZILMJNVJPRBMHK-OAHLLOKOSA-N 2 1 272.502 3.039 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000155045229 371901668 /nfs/dbraw/zinc/90/16/68/371901668.db2.gz ZILMJNVJPRBMHK-OAHLLOKOSA-N 2 1 272.502 3.039 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000423023231 371920018 /nfs/dbraw/zinc/92/00/18/371920018.db2.gz HAXRJWOCOGKHGB-WDEREUQCSA-N 2 1 268.351 3.059 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CC1)[C@H]1CCC[NH2+]1 ZINC000423022942 371920184 /nfs/dbraw/zinc/92/01/84/371920184.db2.gz ISDZXAQGXXKSOX-IUODEOHRSA-N 2 1 278.827 3.102 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000290172524 371920525 /nfs/dbraw/zinc/92/05/25/371920525.db2.gz MVBVAYUYDQBCQM-CXAGYDPISA-N 2 1 287.407 3.256 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423046841 371931853 /nfs/dbraw/zinc/93/18/53/371931853.db2.gz FFUKNCVGDYRAKR-LZWOXQAQSA-N 2 1 278.465 3.206 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423100546 371963886 /nfs/dbraw/zinc/96/38/86/371963886.db2.gz MXVUNQVEQYMNSH-YMVOAIQMSA-N 2 1 296.817 3.313 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC000156175178 371965911 /nfs/dbraw/zinc/96/59/11/371965911.db2.gz UTLJIIGMPAXHCP-OFQRWUPVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC000156175178 371965919 /nfs/dbraw/zinc/96/59/19/371965919.db2.gz UTLJIIGMPAXHCP-OFQRWUPVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+]CCn1ccc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423100758 371966137 /nfs/dbraw/zinc/96/61/37/371966137.db2.gz HJSDLHLGGMVUGD-DOMZBBRYSA-N 2 1 291.826 3.025 20 0 CGADMP Cc1ccncc1CCC[N@H+](C)Cc1ccc(O)cc1 ZINC000290331584 371966181 /nfs/dbraw/zinc/96/61/81/371966181.db2.gz DUFZPNONFOSRBC-UHFFFAOYSA-N 2 1 270.376 3.160 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423171801 372002019 /nfs/dbraw/zinc/00/20/19/372002019.db2.gz QAVXHDDQVQMHCR-JKSUJKDBSA-N 2 1 275.440 3.129 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156567282 371983980 /nfs/dbraw/zinc/98/39/80/371983980.db2.gz HFIFBXQSNJZNCS-AGIUHOORSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156567282 371983983 /nfs/dbraw/zinc/98/39/83/371983983.db2.gz HFIFBXQSNJZNCS-AGIUHOORSA-N 2 1 252.427 3.190 20 0 CGADMP CC[N@@H+](CCNC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000156569573 371984128 /nfs/dbraw/zinc/98/41/28/371984128.db2.gz NPAMNCKNZOLPBK-UHFFFAOYSA-N 2 1 295.515 3.103 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCCSC3)CC[NH2+]2)cc1 ZINC000423134662 371984185 /nfs/dbraw/zinc/98/41/85/371984185.db2.gz XIKQFYPCBPBZDB-OIISXLGYSA-N 2 1 290.476 3.213 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290409222 371985076 /nfs/dbraw/zinc/98/50/76/371985076.db2.gz JXNKEWUUWBICGM-NUJGCVRESA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290409222 371985080 /nfs/dbraw/zinc/98/50/80/371985080.db2.gz JXNKEWUUWBICGM-NUJGCVRESA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000290409222 371985083 /nfs/dbraw/zinc/98/50/83/371985083.db2.gz JXNKEWUUWBICGM-NUJGCVRESA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000290409222 371985086 /nfs/dbraw/zinc/98/50/86/371985086.db2.gz JXNKEWUUWBICGM-NUJGCVRESA-N 2 1 274.452 3.137 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423142427 371989281 /nfs/dbraw/zinc/98/92/81/371989281.db2.gz VDLLQYXIYTYWHB-XMTFNYHQSA-N 2 1 295.515 3.007 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423082818 371952620 /nfs/dbraw/zinc/95/26/20/371952620.db2.gz XURUDEHOIIPZHD-IRXDYDNUSA-N 3 1 295.515 3.009 20 0 CGADMP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2F)s1 ZINC000423188090 372015591 /nfs/dbraw/zinc/01/55/91/372015591.db2.gz QDZVMELCCSQTNJ-JTQLQIEISA-N 2 1 264.369 3.164 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccn1 ZINC000423191652 372017572 /nfs/dbraw/zinc/01/75/72/372017572.db2.gz TXMAEYHJDKEJHN-KRWDZBQOSA-N 2 1 298.434 3.087 20 0 CGADMP [NH3+]CCC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423195985 372022127 /nfs/dbraw/zinc/02/21/27/372022127.db2.gz UEPGCSBUTLMJFI-MRVPVSSYSA-N 2 1 279.236 3.371 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000290588587 372025078 /nfs/dbraw/zinc/02/50/78/372025078.db2.gz VCFVYBUMCRMHMN-DEYMUQAISA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000290588587 372025082 /nfs/dbraw/zinc/02/50/82/372025082.db2.gz VCFVYBUMCRMHMN-DEYMUQAISA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290588587 372025087 /nfs/dbraw/zinc/02/50/87/372025087.db2.gz VCFVYBUMCRMHMN-DEYMUQAISA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290588587 372025092 /nfs/dbraw/zinc/02/50/92/372025092.db2.gz VCFVYBUMCRMHMN-DEYMUQAISA-N 2 1 272.436 3.362 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423207004 372030291 /nfs/dbraw/zinc/03/02/91/372030291.db2.gz XNUOQQFQRVOBKP-SECBINFHSA-N 2 1 261.196 3.254 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423208079 372030438 /nfs/dbraw/zinc/03/04/38/372030438.db2.gz YRIHNVKEVIJOOV-LBPRGKRZSA-N 2 1 282.453 3.459 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000423258499 372043971 /nfs/dbraw/zinc/04/39/71/372043971.db2.gz BPBNFNZCPOPMJC-FZMZJTMJSA-N 2 1 281.469 3.318 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259898 372044396 /nfs/dbraw/zinc/04/43/96/372044396.db2.gz FYQRPSQVOJLVNZ-JLSDUUJJSA-N 2 1 290.451 3.260 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000423273114 372046890 /nfs/dbraw/zinc/04/68/90/372046890.db2.gz ZVQUZRYRMDFTOF-VXGBXAGGSA-N 2 1 254.443 3.335 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000158187430 372057720 /nfs/dbraw/zinc/05/77/20/372057720.db2.gz ILOZWQRJKKGAOP-LRDDRELGSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000158187430 372057722 /nfs/dbraw/zinc/05/77/22/372057722.db2.gz ILOZWQRJKKGAOP-LRDDRELGSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccnc1 ZINC000423175058 372005193 /nfs/dbraw/zinc/00/51/93/372005193.db2.gz CSBFBUCSPSUSML-HNNXBMFYSA-N 2 1 261.413 3.174 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423178432 372007197 /nfs/dbraw/zinc/00/71/97/372007197.db2.gz GABIWXPHEDAXPM-GFCCVEGCSA-N 2 1 264.438 3.201 20 0 CGADMP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)c1 ZINC000423180503 372008980 /nfs/dbraw/zinc/00/89/80/372008980.db2.gz FASJHPNWUMQGEP-BMFZPTHFSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)c(F)c1 ZINC000423183430 372010183 /nfs/dbraw/zinc/01/01/83/372010183.db2.gz RTAOYNFSXGYCPR-NSHDSACASA-N 2 1 268.351 3.277 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423186664 372014650 /nfs/dbraw/zinc/01/46/50/372014650.db2.gz LNBKCJRIATXBEM-MRXNPFEDSA-N 2 1 275.440 3.286 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(OC)c1 ZINC000423498461 372071220 /nfs/dbraw/zinc/07/12/20/372071220.db2.gz BCUPAQVMSIAGDW-IAGOWNOFSA-N 2 1 276.424 3.253 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000158593242 372074230 /nfs/dbraw/zinc/07/42/30/372074230.db2.gz XXPUBUHQTBZGTE-XDNAFOTISA-N 2 1 296.499 3.149 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000159331323 372132341 /nfs/dbraw/zinc/13/23/41/372132341.db2.gz CTJFLQVRJRDXNY-PXAZEXFGSA-N 2 1 276.399 3.133 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000291217971 372140352 /nfs/dbraw/zinc/14/03/52/372140352.db2.gz NFSNAKNKUUCQGN-SCLBCKFNSA-N 2 1 299.418 3.200 20 0 CGADMP C[C@@H](c1cccc(F)c1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292991131 372271677 /nfs/dbraw/zinc/27/16/77/372271677.db2.gz OALMDUGCEIMLKG-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292991131 372271683 /nfs/dbraw/zinc/27/16/83/372271683.db2.gz OALMDUGCEIMLKG-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292991131 372271688 /nfs/dbraw/zinc/27/16/88/372271688.db2.gz OALMDUGCEIMLKG-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292991131 372271694 /nfs/dbraw/zinc/27/16/94/372271694.db2.gz OALMDUGCEIMLKG-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292991131 372271698 /nfs/dbraw/zinc/27/16/98/372271698.db2.gz OALMDUGCEIMLKG-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292991131 372271706 /nfs/dbraw/zinc/27/17/06/372271706.db2.gz OALMDUGCEIMLKG-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292991131 372271709 /nfs/dbraw/zinc/27/17/09/372271709.db2.gz OALMDUGCEIMLKG-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc4ccccc4c3)C2)C1 ZINC000293007507 372276410 /nfs/dbraw/zinc/27/64/10/372276410.db2.gz PJSDAQAMKJMRPV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc4ccccc4c3)C2)C1 ZINC000293007507 372276413 /nfs/dbraw/zinc/27/64/13/372276413.db2.gz PJSDAQAMKJMRPV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc4ccccc4c3)C2)C1 ZINC000293007507 372276416 /nfs/dbraw/zinc/27/64/16/372276416.db2.gz PJSDAQAMKJMRPV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc4ccccc4c3)C2)C1 ZINC000293007507 372276419 /nfs/dbraw/zinc/27/64/19/372276419.db2.gz PJSDAQAMKJMRPV-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000161526982 372333220 /nfs/dbraw/zinc/33/32/20/372333220.db2.gz HSAWAXNZUOETHA-HNNXBMFYSA-N 2 1 295.430 3.493 20 0 CGADMP C[NH2+]C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000430932154 372406672 /nfs/dbraw/zinc/40/66/72/372406672.db2.gz YEWSBHZOQJXOCM-UHFFFAOYSA-N 2 1 298.430 3.293 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1C ZINC000430942738 372408417 /nfs/dbraw/zinc/40/84/17/372408417.db2.gz DRQNLSPEHOGULV-ZBFHGGJFSA-N 2 1 278.465 3.065 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC)[C@@H](C)C1 ZINC000429427043 372364418 /nfs/dbraw/zinc/36/44/18/372364418.db2.gz NJWMGWTVIOBQRL-HOTGVXAUSA-N 2 1 284.488 3.149 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000163256802 372458300 /nfs/dbraw/zinc/45/83/00/372458300.db2.gz BQBJEKZXMRMQNH-QWRGUYRKSA-N 2 1 286.341 3.096 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000163256802 372458304 /nfs/dbraw/zinc/45/83/04/372458304.db2.gz BQBJEKZXMRMQNH-QWRGUYRKSA-N 2 1 286.341 3.096 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000163663308 372485785 /nfs/dbraw/zinc/48/57/85/372485785.db2.gz KVLPELMVAUEWIR-CYBMUJFWSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000163663308 372485787 /nfs/dbraw/zinc/48/57/87/372485787.db2.gz KVLPELMVAUEWIR-CYBMUJFWSA-N 2 1 284.806 3.299 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cccc(C)c23)[C@H](C)C1 ZINC000165234857 372546042 /nfs/dbraw/zinc/54/60/42/372546042.db2.gz WGKBJDWQTKGYSJ-WBVHZDCISA-N 2 1 299.462 3.339 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)no1 ZINC000353380352 220051176 /nfs/dbraw/zinc/05/11/76/220051176.db2.gz BBAGBBKERXNVPA-DZGCQCFKSA-N 2 1 279.428 3.288 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000294262011 372631236 /nfs/dbraw/zinc/63/12/36/372631236.db2.gz LKIRNIHECGGIJS-RGCFKVTRSA-N 2 1 286.463 3.499 20 0 CGADMP CSCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434672237 372700030 /nfs/dbraw/zinc/70/00/30/372700030.db2.gz AHLWZYJLYJQYMW-UHFFFAOYSA-N 2 1 293.480 3.152 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000434772959 372708292 /nfs/dbraw/zinc/70/82/92/372708292.db2.gz HBPHYYWFAXUBTR-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000435875734 372823071 /nfs/dbraw/zinc/82/30/71/372823071.db2.gz UHMKYWJUSKECLR-DOTOQJQBSA-N 2 1 260.425 3.378 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)[NH+]1CCCC1 ZINC000353457485 220094238 /nfs/dbraw/zinc/09/42/38/220094238.db2.gz ZIOWHUMGBGUYAG-OAGGEKHMSA-N 2 1 270.436 3.225 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000438085031 372873673 /nfs/dbraw/zinc/87/36/73/372873673.db2.gz LYLOXEJMKIQZKX-OWCLPIDISA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000438085031 372873680 /nfs/dbraw/zinc/87/36/80/372873680.db2.gz LYLOXEJMKIQZKX-OWCLPIDISA-N 2 1 292.442 3.467 20 0 CGADMP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2C)cs1 ZINC000295790130 372912361 /nfs/dbraw/zinc/91/23/61/372912361.db2.gz SABSYONETGEJER-UHFFFAOYSA-N 2 1 263.410 3.131 20 0 CGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC000295856136 372934511 /nfs/dbraw/zinc/93/45/11/372934511.db2.gz FFBIXCMTGMMCLK-FCONBKKXSA-N 2 1 280.362 3.241 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)cc(F)c1 ZINC000295856136 372934521 /nfs/dbraw/zinc/93/45/21/372934521.db2.gz FFBIXCMTGMMCLK-FCONBKKXSA-N 2 1 280.362 3.241 20 0 CGADMP CC[C@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@H](CC)C2)C1 ZINC000438476390 372958592 /nfs/dbraw/zinc/95/85/92/372958592.db2.gz FSPWHWVTBJUOEZ-HOTGVXAUSA-N 2 1 252.446 3.086 20 0 CGADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2c1CCC2 ZINC000172646702 373001333 /nfs/dbraw/zinc/00/13/33/373001333.db2.gz VVNJPMSVAYIWNM-QGZVFWFLSA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000296112192 373025812 /nfs/dbraw/zinc/02/58/12/373025812.db2.gz XWLCQECXQOSSAE-ZWKOTPCHSA-N 2 1 287.451 3.135 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000344818253 217321415 /nfs/dbraw/zinc/32/14/15/217321415.db2.gz LCNXFKOHSOIPOW-HOCLYGCPSA-N 2 1 295.496 3.442 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000353563013 220159721 /nfs/dbraw/zinc/15/97/21/220159721.db2.gz DOUIJZDRROKMQY-KGLIPLIRSA-N 2 1 268.470 3.388 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000353563013 220159722 /nfs/dbraw/zinc/15/97/22/220159722.db2.gz DOUIJZDRROKMQY-KGLIPLIRSA-N 2 1 268.470 3.388 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000296477040 373149269 /nfs/dbraw/zinc/14/92/69/373149269.db2.gz PUZVBXLZUADZAI-YOEHRIQHSA-N 2 1 292.492 3.368 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000444620024 373215169 /nfs/dbraw/zinc/21/51/69/373215169.db2.gz LMCAWAUDDLYURI-GOSISDBHSA-N 2 1 272.436 3.179 20 0 CGADMP c1ccc(C[C@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000444620024 373215173 /nfs/dbraw/zinc/21/51/73/373215173.db2.gz LMCAWAUDDLYURI-GOSISDBHSA-N 2 1 272.436 3.179 20 0 CGADMP CCc1ccccc1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000444638533 373216177 /nfs/dbraw/zinc/21/61/77/373216177.db2.gz JEAFCLHRAXGDGE-MOPGFXCFSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000444638533 373216196 /nfs/dbraw/zinc/21/61/96/373216196.db2.gz JEAFCLHRAXGDGE-MOPGFXCFSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000444638533 373216208 /nfs/dbraw/zinc/21/62/08/373216208.db2.gz JEAFCLHRAXGDGE-MOPGFXCFSA-N 2 1 286.463 3.208 20 0 CGADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000174515874 373331527 /nfs/dbraw/zinc/33/15/27/373331527.db2.gz QWZMMFWJRWIEAJ-RDJZCZTQSA-N 2 1 290.451 3.294 20 0 CGADMP Clc1cccc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298466338 373335226 /nfs/dbraw/zinc/33/52/26/373335226.db2.gz OSMASDMVGHMLBU-UHFFFAOYSA-N 2 1 292.854 3.489 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000299106922 373459877 /nfs/dbraw/zinc/45/98/77/373459877.db2.gz GSFLFZIXRUHCCU-MRXNPFEDSA-N 2 1 261.413 3.028 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000299106922 373459885 /nfs/dbraw/zinc/45/98/85/373459885.db2.gz GSFLFZIXRUHCCU-MRXNPFEDSA-N 2 1 261.413 3.028 20 0 CGADMP CC/C=C\C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449451874 373735222 /nfs/dbraw/zinc/73/52/22/373735222.db2.gz DQSICBUBBVPWMU-UCKVFGNKSA-N 2 1 272.436 3.453 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc2ccccc2n1 ZINC000178030243 373737725 /nfs/dbraw/zinc/73/77/25/373737725.db2.gz RPZFFFRFHXFFFD-CABCVRRESA-N 2 1 283.419 3.227 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2ccccc2n1 ZINC000178030243 373737734 /nfs/dbraw/zinc/73/77/34/373737734.db2.gz RPZFFFRFHXFFFD-CABCVRRESA-N 2 1 283.419 3.227 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000178030243 373737742 /nfs/dbraw/zinc/73/77/42/373737742.db2.gz RPZFFFRFHXFFFD-CABCVRRESA-N 2 1 283.419 3.227 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000449466217 373748448 /nfs/dbraw/zinc/74/84/48/373748448.db2.gz GEFRSIPECKKOPQ-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000449466215 373749193 /nfs/dbraw/zinc/74/91/93/373749193.db2.gz GEFRSIPECKKOPQ-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000178957720 373821439 /nfs/dbraw/zinc/82/14/39/373821439.db2.gz JMADFSKANUMAPJ-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000179639952 373897575 /nfs/dbraw/zinc/89/75/75/373897575.db2.gz RLDKSUZSJIZYDZ-CJNGLKHVSA-N 2 1 282.378 3.490 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000179639952 373897582 /nfs/dbraw/zinc/89/75/82/373897582.db2.gz RLDKSUZSJIZYDZ-CJNGLKHVSA-N 2 1 282.378 3.490 20 0 CGADMP Cc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000302566893 373898386 /nfs/dbraw/zinc/89/83/86/373898386.db2.gz NOXBIVHUTQHORI-HNNXBMFYSA-N 2 1 269.392 3.322 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc[nH+]1 ZINC000302587672 373899954 /nfs/dbraw/zinc/89/99/54/373899954.db2.gz VBTIAXHDIZCIJR-MRXNPFEDSA-N 2 1 259.397 3.066 20 0 CGADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000449733271 373860342 /nfs/dbraw/zinc/86/03/42/373860342.db2.gz GYMIDHQSFKCXLV-UHFFFAOYSA-N 2 1 275.440 3.051 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=CCCCC2)C[C@@H]1C ZINC000450467785 374151522 /nfs/dbraw/zinc/15/15/22/374151522.db2.gz LYSXLGAQXMFJJA-HOCLYGCPSA-N 2 1 250.430 3.291 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=CCCCC2)C[C@@H]1C ZINC000450467785 374151526 /nfs/dbraw/zinc/15/15/26/374151526.db2.gz LYSXLGAQXMFJJA-HOCLYGCPSA-N 2 1 250.430 3.291 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=CCCCC2)C[C@@H]1C ZINC000450467785 374151532 /nfs/dbraw/zinc/15/15/32/374151532.db2.gz LYSXLGAQXMFJJA-HOCLYGCPSA-N 2 1 250.430 3.291 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000308633898 374173773 /nfs/dbraw/zinc/17/37/73/374173773.db2.gz WXQCYPKZYONKNV-ZDUSSCGKSA-N 2 1 274.399 3.276 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000311044910 374231206 /nfs/dbraw/zinc/23/12/06/374231206.db2.gz VTBHBOPTSFSDNM-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000312476059 374279809 /nfs/dbraw/zinc/27/98/09/374279809.db2.gz HMIAGMIGEGNDSJ-CYBMUJFWSA-N 2 1 274.408 3.283 20 0 CGADMP CCc1nc(C)cc(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000312914358 374295486 /nfs/dbraw/zinc/29/54/86/374295486.db2.gz VIBBXIWKZBRMGM-AWEZNQCLSA-N 2 1 276.428 3.024 20 0 CGADMP CCc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)cc(C)[nH+]1 ZINC000312914358 374295494 /nfs/dbraw/zinc/29/54/94/374295494.db2.gz VIBBXIWKZBRMGM-AWEZNQCLSA-N 2 1 276.428 3.024 20 0 CGADMP CCc1nc(NCCC[N@H+]2CCCC[C@@H]2C)cc(C)[nH+]1 ZINC000312914358 374295499 /nfs/dbraw/zinc/29/54/99/374295499.db2.gz VIBBXIWKZBRMGM-AWEZNQCLSA-N 2 1 276.428 3.024 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228741 374370439 /nfs/dbraw/zinc/37/04/39/374370439.db2.gz BYMUYTSMDIHTQV-JECHBYEQSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228741 374370443 /nfs/dbraw/zinc/37/04/43/374370443.db2.gz BYMUYTSMDIHTQV-JECHBYEQSA-N 2 1 294.389 3.272 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000453266494 374381125 /nfs/dbraw/zinc/38/11/25/374381125.db2.gz FPHWIPHGMGLTQQ-YWWDTZIBSA-N 2 1 296.524 3.371 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(OC)c1 ZINC000453344921 374435307 /nfs/dbraw/zinc/43/53/07/374435307.db2.gz JKFOOSDDWQNSRZ-MMNRESRNSA-N 2 1 288.435 3.361 20 0 CGADMP Fc1ccc(CC2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453345441 374436971 /nfs/dbraw/zinc/43/69/71/374436971.db2.gz JZTBCGZVUBHAQC-SJORKVTESA-N 2 1 288.410 3.117 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000453405885 374475097 /nfs/dbraw/zinc/47/50/97/374475097.db2.gz QRDMRWRPQLUUED-GOSISDBHSA-N 2 1 287.451 3.387 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000184499972 374532532 /nfs/dbraw/zinc/53/25/32/374532532.db2.gz REHORRGGTYKMPE-HOTGVXAUSA-N 2 1 292.471 3.379 20 0 CGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCC3CC3)CC2)cc1 ZINC000090118248 541957320 /nfs/dbraw/zinc/95/73/20/541957320.db2.gz QSJFQNQYUCBGMY-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000334244785 206248529 /nfs/dbraw/zinc/24/85/29/206248529.db2.gz SBDDRVZWEXESPB-LBPRGKRZSA-N 2 1 289.810 3.276 20 0 CGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2ccccc2n1 ZINC000334424706 374738862 /nfs/dbraw/zinc/73/88/62/374738862.db2.gz TYDGWDHWHZOOAW-UHFFFAOYSA-N 2 1 295.430 3.119 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459793161 374821496 /nfs/dbraw/zinc/82/14/96/374821496.db2.gz SYNXKEILHVOYDV-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP CCc1ccc(CC[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000464777077 374898135 /nfs/dbraw/zinc/89/81/35/374898135.db2.gz LYUUQTIUQVHYGR-LJQANCHMSA-N 2 1 288.479 3.455 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000186884240 374933305 /nfs/dbraw/zinc/93/33/05/374933305.db2.gz DQXYBJSAVXWJQQ-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528218 541988132 /nfs/dbraw/zinc/98/81/32/541988132.db2.gz GWAGZXQAVXMWGB-DYVFJYSZSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528218 541988137 /nfs/dbraw/zinc/98/81/37/541988137.db2.gz GWAGZXQAVXMWGB-DYVFJYSZSA-N 2 1 258.409 3.266 20 0 CGADMP COC[C@H](C)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000187427218 375021222 /nfs/dbraw/zinc/02/12/22/375021222.db2.gz HASDGDKUZJYFMY-SJORKVTESA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H](C[NH+]1CC[C@H](C)[C@H]1C)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000482896002 375172512 /nfs/dbraw/zinc/17/25/12/375172512.db2.gz TXLKWIQTGRWULM-UVPYHEFZSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C)[C@@H]1C)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000482896002 375172523 /nfs/dbraw/zinc/17/25/23/375172523.db2.gz TXLKWIQTGRWULM-UVPYHEFZSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H](C[NH+]1CC[C@H](C)[C@@H]1C)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000482896002 375172535 /nfs/dbraw/zinc/17/25/35/375172535.db2.gz TXLKWIQTGRWULM-UVPYHEFZSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483140302 375175780 /nfs/dbraw/zinc/17/57/80/375175780.db2.gz PVTRIOPPNOCKPS-QKPAOTATSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000187933351 375120637 /nfs/dbraw/zinc/12/06/37/375120637.db2.gz IRRKWKWTEHFQRK-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000187933351 375120643 /nfs/dbraw/zinc/12/06/43/375120643.db2.gz IRRKWKWTEHFQRK-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000474613657 375121479 /nfs/dbraw/zinc/12/14/79/375121479.db2.gz FBDLYRGMOGPWIC-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000474613657 375121483 /nfs/dbraw/zinc/12/14/83/375121483.db2.gz FBDLYRGMOGPWIC-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474606993 375121719 /nfs/dbraw/zinc/12/17/19/375121719.db2.gz NKYXXLRLJIJUTH-WMZOPIPTSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000335181751 375206968 /nfs/dbraw/zinc/20/69/68/375206968.db2.gz QSTSFORKUOSDRN-DOMZBBRYSA-N 2 1 274.433 3.331 20 0 CGADMP C[N@@H+](CC1CCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000488009185 375294634 /nfs/dbraw/zinc/29/46/34/375294634.db2.gz MXGAONWCPLQBNC-UHFFFAOYSA-N 2 1 278.362 3.135 20 0 CGADMP CC[C@@H](C[NH2+]CC1(CCOC)CCCCC1)[NH+]1CCCC1 ZINC000189036170 375314081 /nfs/dbraw/zinc/31/40/81/375314081.db2.gz TYZNEBZRZDAAHE-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP COCCC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000189037767 375314982 /nfs/dbraw/zinc/31/49/82/375314982.db2.gz NZQAIYCYPCWDIO-INIZCTEOSA-N 2 1 294.483 3.047 20 0 CGADMP C[C@@H]1C[C@@H](N(C)Cc2cc(F)ccc2Cl)CC[N@H+]1C ZINC000189069481 375317518 /nfs/dbraw/zinc/31/75/18/375317518.db2.gz RCJWEPFSMLZAKU-RISCZKNCSA-N 2 1 284.806 3.394 20 0 CGADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000189069814 375318124 /nfs/dbraw/zinc/31/81/24/375318124.db2.gz FNFTVTDFGIBAIV-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000189069814 375318144 /nfs/dbraw/zinc/31/81/44/375318144.db2.gz FNFTVTDFGIBAIV-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000189069814 375318149 /nfs/dbraw/zinc/31/81/49/375318149.db2.gz FNFTVTDFGIBAIV-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189076054 375319693 /nfs/dbraw/zinc/31/96/93/375319693.db2.gz QLXOBGQPKLVFGM-QGZVFWFLSA-N 2 1 296.499 3.295 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489987521 375320465 /nfs/dbraw/zinc/32/04/65/375320465.db2.gz INGXWFLEISIBEK-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP CSCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000188714531 375259476 /nfs/dbraw/zinc/25/94/76/375259476.db2.gz XGSRQIZJZIKTLA-CJNGLKHVSA-N 2 1 278.465 3.122 20 0 CGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000190061644 375473319 /nfs/dbraw/zinc/47/33/19/375473319.db2.gz OAWWJJYJQKWVGH-RRFJBIMHSA-N 2 1 270.486 3.125 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000189565471 375413160 /nfs/dbraw/zinc/41/31/60/375413160.db2.gz YONOIXFXBSVUEZ-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000189565471 375413167 /nfs/dbraw/zinc/41/31/67/375413167.db2.gz YONOIXFXBSVUEZ-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000189565471 375413170 /nfs/dbraw/zinc/41/31/70/375413170.db2.gz YONOIXFXBSVUEZ-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336119363 375700622 /nfs/dbraw/zinc/70/06/22/375700622.db2.gz IHJMJGMQXICKSE-CJNGLKHVSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336119363 375700630 /nfs/dbraw/zinc/70/06/30/375700630.db2.gz IHJMJGMQXICKSE-CJNGLKHVSA-N 2 1 264.388 3.303 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000507458997 375704291 /nfs/dbraw/zinc/70/42/91/375704291.db2.gz FEDRHWLZFFYDTB-HZPDHXFCSA-N 2 1 289.467 3.417 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2cccnc2)C2CC2)c2ccccc21 ZINC000516562448 375821710 /nfs/dbraw/zinc/82/17/10/375821710.db2.gz YSVPEWJWOLLFGE-SQNIBIBYSA-N 2 1 279.387 3.267 20 0 CGADMP CC(C)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193018232 375815280 /nfs/dbraw/zinc/81/52/80/375815280.db2.gz ZVWYPJKNXUHQNP-GOOCMWNKSA-N 2 1 250.430 3.028 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000193139021 375832126 /nfs/dbraw/zinc/83/21/26/375832126.db2.gz JODLCTZEEOISJH-NWDGAFQWSA-N 2 1 272.845 3.364 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000130728476 542065334 /nfs/dbraw/zinc/06/53/34/542065334.db2.gz NBCBGYAIQACJBZ-FZMZJTMJSA-N 2 1 286.341 3.265 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000130728476 542065340 /nfs/dbraw/zinc/06/53/40/542065340.db2.gz NBCBGYAIQACJBZ-FZMZJTMJSA-N 2 1 286.341 3.265 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000131437521 542069661 /nfs/dbraw/zinc/06/96/61/542069661.db2.gz KREOEQDDCOJWSQ-INIZCTEOSA-N 2 1 264.388 3.135 20 0 CGADMP C[NH+](Cc1ccccc1C[N@@H+](C)CC1CC1)CC1CC1 ZINC000193622476 375901526 /nfs/dbraw/zinc/90/15/26/375901526.db2.gz KPBCTIFVYBLCLN-UHFFFAOYSA-N 2 1 272.436 3.370 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000336831351 375992707 /nfs/dbraw/zinc/99/27/07/375992707.db2.gz CYCQQBUZVALPKN-BSXFFOKHSA-N 2 1 270.420 3.451 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504842 296238254 /nfs/dbraw/zinc/23/82/54/296238254.db2.gz IUYBVDGLNOOKBB-ZDUSSCGKSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cscn1 ZINC000535064382 376019722 /nfs/dbraw/zinc/01/97/22/376019722.db2.gz RBHIGIKIIBLDOR-KGLIPLIRSA-N 2 1 281.469 3.448 20 0 CGADMP C[NH+](CCCCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000536262890 376083684 /nfs/dbraw/zinc/08/36/84/376083684.db2.gz JFQYNQGFRCKVDM-GOSISDBHSA-N 2 1 274.452 3.425 20 0 CGADMP C[NH+](CCCCc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC000536262890 376083690 /nfs/dbraw/zinc/08/36/90/376083690.db2.gz JFQYNQGFRCKVDM-GOSISDBHSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000536862149 376139401 /nfs/dbraw/zinc/13/94/01/376139401.db2.gz HAVOEDBVVMOJEY-VYDXJSESSA-N 2 1 292.492 3.487 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969447 376155169 /nfs/dbraw/zinc/15/51/69/376155169.db2.gz VJLFLMJEMLEPAO-KGLIPLIRSA-N 2 1 278.399 3.426 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2ccc(F)cc21 ZINC000337268859 376181052 /nfs/dbraw/zinc/18/10/52/376181052.db2.gz LAJVPEFJQIXHRP-QGZVFWFLSA-N 2 1 276.399 3.231 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2ccc(F)cc21 ZINC000337268859 376181060 /nfs/dbraw/zinc/18/10/60/376181060.db2.gz LAJVPEFJQIXHRP-QGZVFWFLSA-N 2 1 276.399 3.231 20 0 CGADMP C[N@@H+](C/C=C\c1ccccc1)CCC[NH+]1CCCC1 ZINC000337270562 376182659 /nfs/dbraw/zinc/18/26/59/376182659.db2.gz MXFWPANXENPWKG-XFFZJAGNSA-N 2 1 258.409 3.118 20 0 CGADMP C[N@H+](C/C=C\c1ccccc1)CCC[NH+]1CCCC1 ZINC000337270562 376182668 /nfs/dbraw/zinc/18/26/68/376182668.db2.gz MXFWPANXENPWKG-XFFZJAGNSA-N 2 1 258.409 3.118 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC12CCC2)C1CCCCC1 ZINC000337386449 376217271 /nfs/dbraw/zinc/21/72/71/376217271.db2.gz HZXMYRJLQVSTHV-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC12CCC2)C1CCCCC1 ZINC000337386449 376217277 /nfs/dbraw/zinc/21/72/77/376217277.db2.gz HZXMYRJLQVSTHV-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP COc1ccc([C@H](C)NCCC[N@@H+](C)C(C)C)c(OC)c1 ZINC000221923749 376222658 /nfs/dbraw/zinc/22/26/58/376222658.db2.gz JDYKWDVTLDCTBE-AWEZNQCLSA-N 2 1 294.439 3.085 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(F)cc1F ZINC000221913259 376223503 /nfs/dbraw/zinc/22/35/03/376223503.db2.gz QAMJPTPXXHDEKU-LBPRGKRZSA-N 2 1 270.367 3.346 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222025462 376227309 /nfs/dbraw/zinc/22/73/09/376227309.db2.gz OTEIWHKOHMJWQG-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222025462 376227311 /nfs/dbraw/zinc/22/73/11/376227311.db2.gz OTEIWHKOHMJWQG-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1(C)C ZINC000538398314 376238221 /nfs/dbraw/zinc/23/82/21/376238221.db2.gz HLYUAUAZFOLHJD-YESZJQIVSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539367674 376306768 /nfs/dbraw/zinc/30/67/68/376306768.db2.gz YXKDUUHTZIEZFC-ZACQAIPSSA-N 2 1 296.499 3.244 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000539818891 376333234 /nfs/dbraw/zinc/33/32/34/376333234.db2.gz GESLBBMHWHXBNE-KANFNMMFSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000539818891 376333239 /nfs/dbraw/zinc/33/32/39/376333239.db2.gz GESLBBMHWHXBNE-KANFNMMFSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000539818891 376333242 /nfs/dbraw/zinc/33/32/42/376333242.db2.gz GESLBBMHWHXBNE-KANFNMMFSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000539039262 376286892 /nfs/dbraw/zinc/28/68/92/376286892.db2.gz BOIZQZMDIJLGGW-BWZWCVMUSA-N 2 1 276.468 3.131 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539367673 376306435 /nfs/dbraw/zinc/30/64/35/376306435.db2.gz YXKDUUHTZIEZFC-YESZJQIVSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000541174931 376424236 /nfs/dbraw/zinc/42/42/36/376424236.db2.gz VEHGJRZXVKGUHC-INIZCTEOSA-N 2 1 280.481 3.344 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226434882 376359978 /nfs/dbraw/zinc/35/99/78/376359978.db2.gz GINFKKILUUVAAS-QGZVFWFLSA-N 2 1 260.425 3.207 20 0 CGADMP C[N@@H+](Cc1cccc(C2CC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000226449869 376362175 /nfs/dbraw/zinc/36/21/75/376362175.db2.gz GTUPWZDAOYRZDX-KRWDZBQOSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1(C)CC1 ZINC000226701720 376370154 /nfs/dbraw/zinc/37/01/54/376370154.db2.gz CPZWILSSLSGOFX-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000227177307 376384077 /nfs/dbraw/zinc/38/40/77/376384077.db2.gz YPFMIHBMJPUNSB-TWMKSMIVSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000227177307 376384080 /nfs/dbraw/zinc/38/40/80/376384080.db2.gz YPFMIHBMJPUNSB-TWMKSMIVSA-N 2 1 262.441 3.172 20 0 CGADMP CCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228537656 376440303 /nfs/dbraw/zinc/44/03/03/376440303.db2.gz UKHWHEZEZJEBLL-CGTJXYLNSA-N 2 1 288.435 3.035 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000228761258 376446803 /nfs/dbraw/zinc/44/68/03/376446803.db2.gz HNYQUSLGRGDBAA-GFCCVEGCSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000228761258 376446804 /nfs/dbraw/zinc/44/68/04/376446804.db2.gz HNYQUSLGRGDBAA-GFCCVEGCSA-N 2 1 282.815 3.052 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC000228767797 376447403 /nfs/dbraw/zinc/44/74/03/376447403.db2.gz OCIFRPXVTWCEOI-PSOPSSQASA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]21 ZINC000228767797 376447411 /nfs/dbraw/zinc/44/74/11/376447411.db2.gz OCIFRPXVTWCEOI-PSOPSSQASA-N 2 1 282.790 3.038 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000541536162 376455587 /nfs/dbraw/zinc/45/55/87/376455587.db2.gz BQQAZPVUHVHDAD-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000541536162 376455595 /nfs/dbraw/zinc/45/55/95/376455595.db2.gz BQQAZPVUHVHDAD-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000541536162 376455603 /nfs/dbraw/zinc/45/56/03/376455603.db2.gz BQQAZPVUHVHDAD-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000230408932 376515591 /nfs/dbraw/zinc/51/55/91/376515591.db2.gz UWEFXGUTBJLKLR-NXEZZACHSA-N 2 1 260.834 3.392 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000542477294 376547153 /nfs/dbraw/zinc/54/71/53/376547153.db2.gz YBUTZJPSDABZEV-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000542477296 376547494 /nfs/dbraw/zinc/54/74/94/376547494.db2.gz YBUTZJPSDABZEV-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000542702408 376569690 /nfs/dbraw/zinc/56/96/90/376569690.db2.gz VMFZZAAHGHXHDR-NNTXTVRGSA-N 2 1 294.389 3.252 20 0 CGADMP CC[C@H](C[NH2+]C[C@H](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000543446430 376643640 /nfs/dbraw/zinc/64/36/40/376643640.db2.gz HODYKJWAOHNKGN-SJLPKXTDSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000235875611 376652922 /nfs/dbraw/zinc/65/29/22/376652922.db2.gz YEYABCMLYMTECP-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000245569266 376858902 /nfs/dbraw/zinc/85/89/02/376858902.db2.gz GEWCCCUTLZPVRJ-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000245569266 376858908 /nfs/dbraw/zinc/85/89/08/376858908.db2.gz GEWCCCUTLZPVRJ-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000556868825 376891948 /nfs/dbraw/zinc/89/19/48/376891948.db2.gz WRZBSPFIJSMBKS-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000556868825 376891957 /nfs/dbraw/zinc/89/19/57/376891957.db2.gz WRZBSPFIJSMBKS-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000556868825 376891967 /nfs/dbraw/zinc/89/19/67/376891967.db2.gz WRZBSPFIJSMBKS-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000556868825 376891974 /nfs/dbraw/zinc/89/19/74/376891974.db2.gz WRZBSPFIJSMBKS-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000245729515 376892904 /nfs/dbraw/zinc/89/29/04/376892904.db2.gz JJXSVPXUIHRWKV-DZGCQCFKSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000245729515 376892911 /nfs/dbraw/zinc/89/29/11/376892911.db2.gz JJXSVPXUIHRWKV-DZGCQCFKSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1F ZINC000245729515 376892919 /nfs/dbraw/zinc/89/29/19/376892919.db2.gz JJXSVPXUIHRWKV-DZGCQCFKSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1F ZINC000245729515 376892925 /nfs/dbraw/zinc/89/29/25/376892925.db2.gz JJXSVPXUIHRWKV-DZGCQCFKSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000556868828 376892970 /nfs/dbraw/zinc/89/29/70/376892970.db2.gz WRZBSPFIJSMBKS-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000556868828 376892975 /nfs/dbraw/zinc/89/29/75/376892975.db2.gz WRZBSPFIJSMBKS-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000556868828 376892977 /nfs/dbraw/zinc/89/29/77/376892977.db2.gz WRZBSPFIJSMBKS-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000556868828 376892982 /nfs/dbraw/zinc/89/29/82/376892982.db2.gz WRZBSPFIJSMBKS-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556864170 376893000 /nfs/dbraw/zinc/89/30/00/376893000.db2.gz BMPMXVDYPHREHD-ZKXLYKBJSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000245727534 376893217 /nfs/dbraw/zinc/89/32/17/376893217.db2.gz JDRIEALCAYPICA-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000245727534 376893220 /nfs/dbraw/zinc/89/32/20/376893220.db2.gz JDRIEALCAYPICA-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000245727534 376893222 /nfs/dbraw/zinc/89/32/22/376893222.db2.gz JDRIEALCAYPICA-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000556933184 376908409 /nfs/dbraw/zinc/90/84/09/376908409.db2.gz JSGFRXGZFSLCOF-BZSNNMDCSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000556933184 376908415 /nfs/dbraw/zinc/90/84/15/376908415.db2.gz JSGFRXGZFSLCOF-BZSNNMDCSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000556933184 376908419 /nfs/dbraw/zinc/90/84/19/376908419.db2.gz JSGFRXGZFSLCOF-BZSNNMDCSA-N 2 1 276.468 3.397 20 0 CGADMP C1=CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000245808344 376913203 /nfs/dbraw/zinc/91/32/03/376913203.db2.gz YZDLRESFPMTBSL-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccoc1 ZINC000245878685 376924958 /nfs/dbraw/zinc/92/49/58/376924958.db2.gz SEXHFNKKNPTNES-ZIAGYGMSSA-N 2 1 250.386 3.195 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccoc1 ZINC000245878685 376924961 /nfs/dbraw/zinc/92/49/61/376924961.db2.gz SEXHFNKKNPTNES-ZIAGYGMSSA-N 2 1 250.386 3.195 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000557330522 376931081 /nfs/dbraw/zinc/93/10/81/376931081.db2.gz NCGJTQHVAHARIT-OAHLLOKOSA-N 2 1 288.435 3.145 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340244017 376961791 /nfs/dbraw/zinc/96/17/91/376961791.db2.gz KFIPYIYDKBZSRR-BPUTZDHNSA-N 2 1 278.465 3.163 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340244017 376961796 /nfs/dbraw/zinc/96/17/96/376961796.db2.gz KFIPYIYDKBZSRR-BPUTZDHNSA-N 2 1 278.465 3.163 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000557904943 376963813 /nfs/dbraw/zinc/96/38/13/376963813.db2.gz KWPNVELAELQZJK-CABCVRRESA-N 2 1 278.415 3.249 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000558501293 377014069 /nfs/dbraw/zinc/01/40/69/377014069.db2.gz KHKDEFXNZKSWBJ-XHSDSOJGSA-N 2 1 262.441 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000558501293 377014078 /nfs/dbraw/zinc/01/40/78/377014078.db2.gz KHKDEFXNZKSWBJ-XHSDSOJGSA-N 2 1 262.441 3.497 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000246440346 377031111 /nfs/dbraw/zinc/03/11/11/377031111.db2.gz NHTRAKCCAHFKNM-BDXSIMOUSA-N 2 1 296.499 3.028 20 0 CGADMP CC[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000246201386 376987431 /nfs/dbraw/zinc/98/74/31/376987431.db2.gz JCCMIFBRUGNWON-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000246897074 377115143 /nfs/dbraw/zinc/11/51/43/377115143.db2.gz FBLMANMPBFQKOD-KGLIPLIRSA-N 2 1 250.386 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000246897074 377115153 /nfs/dbraw/zinc/11/51/53/377115153.db2.gz FBLMANMPBFQKOD-KGLIPLIRSA-N 2 1 250.386 3.051 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Sc2ccccc2)[C@@H](C)C1 ZINC000246912755 377117079 /nfs/dbraw/zinc/11/70/79/377117079.db2.gz FTPWXMSGEOTARI-ZOBUZTSGSA-N 2 1 292.492 3.487 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000246912538 377117311 /nfs/dbraw/zinc/11/73/11/377117311.db2.gz GISOCTOOQAOKDS-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000246912538 377117318 /nfs/dbraw/zinc/11/73/18/377117318.db2.gz GISOCTOOQAOKDS-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000246868611 377107605 /nfs/dbraw/zinc/10/76/05/377107605.db2.gz SQFULSYJYUOQIO-JHNDHUHGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000246868611 377107613 /nfs/dbraw/zinc/10/76/13/377107613.db2.gz SQFULSYJYUOQIO-JHNDHUHGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000246868611 377107623 /nfs/dbraw/zinc/10/76/23/377107623.db2.gz SQFULSYJYUOQIO-JHNDHUHGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000246868611 377107634 /nfs/dbraw/zinc/10/76/34/377107634.db2.gz SQFULSYJYUOQIO-JHNDHUHGSA-N 2 1 288.435 3.319 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000247014674 377139744 /nfs/dbraw/zinc/13/97/44/377139744.db2.gz MLQFBNMCHXUEGA-KSZLIROESA-N 2 1 294.483 3.069 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247189989 377174118 /nfs/dbraw/zinc/17/41/18/377174118.db2.gz ZXXVDECGKNBSMX-BBRMVZONSA-N 2 1 296.842 3.039 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000247207962 377176861 /nfs/dbraw/zinc/17/68/61/377176861.db2.gz UXKZKJZCJBYGBT-SWLSCSKDSA-N 2 1 298.377 3.108 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247246210 377183342 /nfs/dbraw/zinc/18/33/42/377183342.db2.gz YAHMURIYJUZRTR-BFYDXBDKSA-N 2 1 290.451 3.212 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247246210 377183347 /nfs/dbraw/zinc/18/33/47/377183347.db2.gz YAHMURIYJUZRTR-BFYDXBDKSA-N 2 1 290.451 3.212 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000340688346 377217590 /nfs/dbraw/zinc/21/75/90/377217590.db2.gz UPQJIKNEZZBJLD-UHFFFAOYSA-N 2 1 264.388 3.134 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000340688346 377217597 /nfs/dbraw/zinc/21/75/97/377217597.db2.gz UPQJIKNEZZBJLD-UHFFFAOYSA-N 2 1 264.388 3.134 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247966442 377250368 /nfs/dbraw/zinc/25/03/68/377250368.db2.gz GWJYYVMMPYTGST-RYRKJORJSA-N 2 1 274.452 3.418 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000562066312 377273807 /nfs/dbraw/zinc/27/38/07/377273807.db2.gz ULUIDXYOXCXJLQ-BHIYHBOVSA-N 2 1 284.447 3.287 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248343372 377289946 /nfs/dbraw/zinc/28/99/46/377289946.db2.gz KFIJGWFXQLQYPJ-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248343372 377289963 /nfs/dbraw/zinc/28/99/63/377289963.db2.gz KFIJGWFXQLQYPJ-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000249116708 377466366 /nfs/dbraw/zinc/46/63/66/377466366.db2.gz SAXPFDOZPQRUHJ-VIKVFOODSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC12CC2 ZINC000563444009 377467838 /nfs/dbraw/zinc/46/78/38/377467838.db2.gz XVIWVWMTWSJRGK-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000249290764 377487223 /nfs/dbraw/zinc/48/72/23/377487223.db2.gz AJBIGMXTGDUZMN-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000249290764 377487227 /nfs/dbraw/zinc/48/72/27/377487227.db2.gz AJBIGMXTGDUZMN-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000249485831 377508838 /nfs/dbraw/zinc/50/88/38/377508838.db2.gz YBJFFHDGCPRIIO-JFIYKMOQSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000249485831 377508844 /nfs/dbraw/zinc/50/88/44/377508844.db2.gz YBJFFHDGCPRIIO-JFIYKMOQSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000249485831 377508850 /nfs/dbraw/zinc/50/88/50/377508850.db2.gz YBJFFHDGCPRIIO-JFIYKMOQSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000249485831 377508856 /nfs/dbraw/zinc/50/88/56/377508856.db2.gz YBJFFHDGCPRIIO-JFIYKMOQSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249485831 377508862 /nfs/dbraw/zinc/50/88/62/377508862.db2.gz YBJFFHDGCPRIIO-JFIYKMOQSA-N 2 1 274.452 3.280 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166652198 542175647 /nfs/dbraw/zinc/17/56/47/542175647.db2.gz ANRJAXNMGSKHBP-KBAYOESNSA-N 2 1 272.436 3.315 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000313436601 249090741 /nfs/dbraw/zinc/09/07/41/249090741.db2.gz WBEBLYHOJGRTRP-RHSMWYFYSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000166641995 542174914 /nfs/dbraw/zinc/17/49/14/542174914.db2.gz WKZHHZNAAVMXAS-IAGOWNOFSA-N 2 1 290.426 3.320 20 0 CGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313343699 249091319 /nfs/dbraw/zinc/09/13/19/249091319.db2.gz OXBLZRSJUCQHGJ-YOEHRIQHSA-N 2 1 290.451 3.095 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)nc1C ZINC000314056243 249094304 /nfs/dbraw/zinc/09/43/04/249094304.db2.gz QPTHNYUFXPQPNZ-ZBFHGGJFSA-N 2 1 275.440 3.099 20 0 CGADMP CC[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000469877190 249161145 /nfs/dbraw/zinc/16/11/45/249161145.db2.gz DWQOCZIKZCBKES-LAVFITLUSA-N 2 1 272.436 3.239 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C12CCC2 ZINC000250481642 377560097 /nfs/dbraw/zinc/56/00/97/377560097.db2.gz GBRDHHJHVDAECX-BRWVUGGUSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1(C)C ZINC000250570224 377563077 /nfs/dbraw/zinc/56/30/77/377563077.db2.gz PAUKPINFSHBGQR-LUKYLMHMSA-N 2 1 294.483 3.043 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1(C)C ZINC000250570224 377563084 /nfs/dbraw/zinc/56/30/84/377563084.db2.gz PAUKPINFSHBGQR-LUKYLMHMSA-N 2 1 294.483 3.043 20 0 CGADMP c1ccc2c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccnc2c1 ZINC000515002730 249197376 /nfs/dbraw/zinc/19/73/76/249197376.db2.gz UETCARUTGPGWHY-DNVCBOLYSA-N 2 1 295.430 3.199 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccccc1F ZINC000515164783 249203449 /nfs/dbraw/zinc/20/34/49/249203449.db2.gz DGTXZFZZRYOKJU-OAHLLOKOSA-N 2 1 252.377 3.255 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000251305612 377580434 /nfs/dbraw/zinc/58/04/34/377580434.db2.gz IXFRBCDFTLHBBD-PVAVHDDUSA-N 2 1 264.457 3.275 20 0 CGADMP [NH3+]C[C@@H](C[N@@H+](C1CC1)C1CCCC1)c1ccc(F)cc1 ZINC000573793750 377575630 /nfs/dbraw/zinc/57/56/30/377575630.db2.gz VIOOQJDCNBBWFI-AWEZNQCLSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCCC12CC2)Cc1ccccc1 ZINC000573863817 377588721 /nfs/dbraw/zinc/58/87/21/377588721.db2.gz ZKGCTXMVVPEVOP-KRWDZBQOSA-N 2 1 272.436 3.431 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2c[nH]nc2C)c1 ZINC000180451470 542210975 /nfs/dbraw/zinc/21/09/75/542210975.db2.gz RIKNQYPAMQFMTH-ZDUSSCGKSA-N 2 1 286.423 3.021 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251973020 377608287 /nfs/dbraw/zinc/60/82/87/377608287.db2.gz YGQNKJNEAYHSLZ-YZDRTPDPSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251973020 377608295 /nfs/dbraw/zinc/60/82/95/377608295.db2.gz YGQNKJNEAYHSLZ-YZDRTPDPSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000252673876 377649354 /nfs/dbraw/zinc/64/93/54/377649354.db2.gz NDHXPUHQFHMDJU-SJORKVTESA-N 2 1 272.436 3.328 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000252889783 377668774 /nfs/dbraw/zinc/66/87/74/377668774.db2.gz FNUKAPAAFMPKKH-SWLSCSKDSA-N 2 1 274.433 3.331 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000574649965 377692501 /nfs/dbraw/zinc/69/25/01/377692501.db2.gz JREUPECXFKIEIA-LBPRGKRZSA-N 2 1 293.361 3.324 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000574649965 377692506 /nfs/dbraw/zinc/69/25/06/377692506.db2.gz JREUPECXFKIEIA-LBPRGKRZSA-N 2 1 293.361 3.324 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574808730 377710499 /nfs/dbraw/zinc/71/04/99/377710499.db2.gz CWLJIEYOMZLSBX-MRXNPFEDSA-N 2 1 258.409 3.182 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574808730 377710506 /nfs/dbraw/zinc/71/05/06/377710506.db2.gz CWLJIEYOMZLSBX-MRXNPFEDSA-N 2 1 258.409 3.182 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC(C)(C)c1ccccc1 ZINC000181759802 542220802 /nfs/dbraw/zinc/22/08/02/542220802.db2.gz CUMQBTVGEBNBDY-OAHLLOKOSA-N 2 1 285.435 3.395 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000255523712 377763201 /nfs/dbraw/zinc/76/32/01/377763201.db2.gz QCEMFSFFTCFUIX-XSVZSIDJSA-N 2 1 272.436 3.364 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000255523712 377763210 /nfs/dbraw/zinc/76/32/10/377763210.db2.gz QCEMFSFFTCFUIX-XSVZSIDJSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255523712 377763215 /nfs/dbraw/zinc/76/32/15/377763215.db2.gz QCEMFSFFTCFUIX-XSVZSIDJSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255523712 377763225 /nfs/dbraw/zinc/76/32/25/377763225.db2.gz QCEMFSFFTCFUIX-XSVZSIDJSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](C)C3)c2)C1 ZINC000261387568 377812766 /nfs/dbraw/zinc/81/27/66/377812766.db2.gz LHEVPBFXLDWFSW-IYBDPMFKSA-N 2 1 272.436 3.370 20 0 CGADMP C[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](C)C3)c2)C1 ZINC000261387568 377812773 /nfs/dbraw/zinc/81/27/73/377812773.db2.gz LHEVPBFXLDWFSW-IYBDPMFKSA-N 2 1 272.436 3.370 20 0 CGADMP C[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](C)C3)c2)C1 ZINC000261387568 377812775 /nfs/dbraw/zinc/81/27/75/377812775.db2.gz LHEVPBFXLDWFSW-IYBDPMFKSA-N 2 1 272.436 3.370 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261550486 377815896 /nfs/dbraw/zinc/81/58/96/377815896.db2.gz NYZIITZETPNMBM-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000261568299 377817821 /nfs/dbraw/zinc/81/78/21/377817821.db2.gz JVAAYDOSNSOIIN-HOTGVXAUSA-N 2 1 260.425 3.171 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000261566476 377818605 /nfs/dbraw/zinc/81/86/05/377818605.db2.gz IEGGJARTFNRDJB-UHFFFAOYSA-N 2 1 260.406 3.085 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261576512 377820588 /nfs/dbraw/zinc/82/05/88/377820588.db2.gz CEPAGLBWEUTXDZ-WFASDCNBSA-N 2 1 272.417 3.085 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000261573900 377820848 /nfs/dbraw/zinc/82/08/48/377820848.db2.gz WEIAPWBSQPCNCQ-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc(Cl)c1 ZINC000261654355 377833403 /nfs/dbraw/zinc/83/34/03/377833403.db2.gz BHBDADVKCUMERR-LALPHHSUSA-N 2 1 266.816 3.113 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858566 377839249 /nfs/dbraw/zinc/83/92/49/377839249.db2.gz AVYGQUWULUDNAT-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342858566 377839257 /nfs/dbraw/zinc/83/92/57/377839257.db2.gz AVYGQUWULUDNAT-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP C[N@@H+](CCc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000258780172 377798809 /nfs/dbraw/zinc/79/88/09/377798809.db2.gz BKXSIQIXVPDRFQ-UHFFFAOYSA-N 2 1 268.404 3.066 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261918471 377867743 /nfs/dbraw/zinc/86/77/43/377867743.db2.gz KDWVHLLJLKLIAS-KBMXLJTQSA-N 2 1 290.476 3.348 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]2C ZINC000261988594 377874952 /nfs/dbraw/zinc/87/49/52/377874952.db2.gz SBZQRZUGMHAGDC-SOUVJXGZSA-N 2 1 288.435 3.002 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262002284 377877386 /nfs/dbraw/zinc/87/73/86/377877386.db2.gz UGAIBSOHVSDDFG-PBHICJAKSA-N 2 1 288.435 3.035 20 0 CGADMP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262029534 377879866 /nfs/dbraw/zinc/87/98/66/377879866.db2.gz NZEYASAOPSKMOP-FUHWJXTLSA-N 2 1 272.436 3.092 20 0 CGADMP CCC[N@@H+](CCOc1c(C)cccc1C)C1CC[NH2+]CC1 ZINC000262127953 377888168 /nfs/dbraw/zinc/88/81/68/377888168.db2.gz NVKQZVXXIHHQCP-UHFFFAOYSA-N 2 1 290.451 3.146 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000262136210 377888856 /nfs/dbraw/zinc/88/88/56/377888856.db2.gz YSQFDDWYMZCFCQ-ZBFHGGJFSA-N 2 1 278.465 3.122 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000262136210 377888859 /nfs/dbraw/zinc/88/88/59/377888859.db2.gz YSQFDDWYMZCFCQ-ZBFHGGJFSA-N 2 1 278.465 3.122 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261702380 377842110 /nfs/dbraw/zinc/84/21/10/377842110.db2.gz OLFKGEOCCMEGOT-BQPHKTIFSA-N 2 1 298.352 3.436 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261725999 377844457 /nfs/dbraw/zinc/84/44/57/377844457.db2.gz KQFCMBXLKHXHDV-MRXNPFEDSA-N 2 1 287.794 3.078 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000262398133 377896930 /nfs/dbraw/zinc/89/69/30/377896930.db2.gz CBEQWANIPUGVLW-CABCVRRESA-N 2 1 290.410 3.298 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183229814 542228457 /nfs/dbraw/zinc/22/84/57/542228457.db2.gz GIICAINSNKJVRH-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000261831662 377859269 /nfs/dbraw/zinc/85/92/69/377859269.db2.gz JDYANVRRCUFDDQ-UHFFFAOYSA-N 2 1 293.263 3.486 20 0 CGADMP CC(C)C(C[N@H+]1CCCC12CC[NH+](C)CC2)C(C)C ZINC000578200598 378047474 /nfs/dbraw/zinc/04/74/74/378047474.db2.gz ZGJVNHASZCJNRO-UHFFFAOYSA-N 2 1 266.473 3.475 20 0 CGADMP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000578512325 378076040 /nfs/dbraw/zinc/07/60/40/378076040.db2.gz SYWDHJRUADWJOG-OAHLLOKOSA-N 2 1 299.418 3.211 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268918785 378151827 /nfs/dbraw/zinc/15/18/27/378151827.db2.gz PTCUMRANANLTBP-KBPBESRZSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000268785159 378110352 /nfs/dbraw/zinc/11/03/52/378110352.db2.gz DOWKKJBONQXFML-NSHDSACASA-N 2 1 295.333 3.144 20 0 CGADMP COC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000345182375 378215940 /nfs/dbraw/zinc/21/59/40/378215940.db2.gz VWYZGKVXIXDCEV-HZPDHXFCSA-N 2 1 290.451 3.186 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1F ZINC000579409534 378158403 /nfs/dbraw/zinc/15/84/03/378158403.db2.gz VRUOLIVOOPRTDL-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1F ZINC000579409534 378158407 /nfs/dbraw/zinc/15/84/07/378158407.db2.gz VRUOLIVOOPRTDL-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1F ZINC000579409534 378158411 /nfs/dbraw/zinc/15/84/11/378158411.db2.gz VRUOLIVOOPRTDL-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000344489154 378174118 /nfs/dbraw/zinc/17/41/18/378174118.db2.gz XGAFGEHTOIIPTB-VNQPRFMTSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000583872309 378354273 /nfs/dbraw/zinc/35/42/73/378354273.db2.gz YVPSAEKIRNQZFI-GOSISDBHSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cscn2)cc1 ZINC000583928673 378359170 /nfs/dbraw/zinc/35/91/70/378359170.db2.gz UXTJYDKDGLMWSA-GHMZBOCLSA-N 2 1 261.394 3.014 20 0 CGADMP Cc1ccc(CC[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000584555786 378394321 /nfs/dbraw/zinc/39/43/21/378394321.db2.gz WPXKVNFAXFLANL-UHFFFAOYSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000584080668 378373584 /nfs/dbraw/zinc/37/35/84/378373584.db2.gz NBQRGBUOFFSWFI-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000584080668 378373588 /nfs/dbraw/zinc/37/35/88/378373588.db2.gz NBQRGBUOFFSWFI-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000584080668 378373594 /nfs/dbraw/zinc/37/35/94/378373594.db2.gz NBQRGBUOFFSWFI-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000270658586 378382753 /nfs/dbraw/zinc/38/27/53/378382753.db2.gz ODPDCUPXRZKVPA-DZGCQCFKSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000270658586 378382758 /nfs/dbraw/zinc/38/27/58/378382758.db2.gz ODPDCUPXRZKVPA-DZGCQCFKSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C)cccc1C ZINC000271029935 378432404 /nfs/dbraw/zinc/43/24/04/378432404.db2.gz QBALCYWKXKMYDX-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C)cccc1C ZINC000271029935 378432408 /nfs/dbraw/zinc/43/24/08/378432408.db2.gz QBALCYWKXKMYDX-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC(C)(C)C ZINC000346142836 378479183 /nfs/dbraw/zinc/47/91/83/378479183.db2.gz CRYRMSVYMFXTCY-UHFFFAOYSA-N 2 1 272.396 3.054 20 0 CGADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)C(C)C ZINC000346169392 378488310 /nfs/dbraw/zinc/48/83/10/378488310.db2.gz JHADRGIYZJADDK-HNNXBMFYSA-N 2 1 286.423 3.442 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000271865804 378509508 /nfs/dbraw/zinc/50/95/08/378509508.db2.gz LHPQAMSAFUXARV-SFHVURJKSA-N 2 1 270.420 3.306 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000346320751 378544010 /nfs/dbraw/zinc/54/40/10/378544010.db2.gz ZCOKOJOZBHCFFA-GOSISDBHSA-N 2 1 283.419 3.146 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000346320751 378544016 /nfs/dbraw/zinc/54/40/16/378544016.db2.gz ZCOKOJOZBHCFFA-GOSISDBHSA-N 2 1 283.419 3.146 20 0 CGADMP c1cn(CCC[N@H+]2CCCC[C@@H]2Cc2ccccc2)cn1 ZINC000272045685 378551953 /nfs/dbraw/zinc/55/19/53/378551953.db2.gz YPGTVEHNNBHJCI-GOSISDBHSA-N 2 1 283.419 3.370 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000346471541 378588775 /nfs/dbraw/zinc/58/87/75/378588775.db2.gz YAEYEDCYBSUQSR-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000346471541 378588781 /nfs/dbraw/zinc/58/87/81/378588781.db2.gz YAEYEDCYBSUQSR-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000346538796 378610626 /nfs/dbraw/zinc/61/06/26/378610626.db2.gz KWWGRVFJKZDTNI-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000346538796 378610631 /nfs/dbraw/zinc/61/06/31/378610631.db2.gz KWWGRVFJKZDTNI-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000346655221 378665036 /nfs/dbraw/zinc/66/50/36/378665036.db2.gz FQYRZMXKSCPNSI-AWFCHZOYSA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346662187 378665929 /nfs/dbraw/zinc/66/59/29/378665929.db2.gz WIBWFNWLCHTQJF-STQMWFEESA-N 2 1 266.816 3.126 20 0 CGADMP COc1ccccc1/C=C\C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346686613 378675550 /nfs/dbraw/zinc/67/55/50/378675550.db2.gz RPLASAXQSJSCHM-GQSKFBFOSA-N 2 1 276.424 3.014 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272965468 378731546 /nfs/dbraw/zinc/73/15/46/378731546.db2.gz QWRHFTWDMGNJRX-UWWQBHOKSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272965468 378731549 /nfs/dbraw/zinc/73/15/49/378731549.db2.gz QWRHFTWDMGNJRX-UWWQBHOKSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272965468 378731553 /nfs/dbraw/zinc/73/15/53/378731553.db2.gz QWRHFTWDMGNJRX-UWWQBHOKSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272965468 378731559 /nfs/dbraw/zinc/73/15/59/378731559.db2.gz QWRHFTWDMGNJRX-UWWQBHOKSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272965468 378731564 /nfs/dbraw/zinc/73/15/64/378731564.db2.gz QWRHFTWDMGNJRX-UWWQBHOKSA-N 2 1 290.426 3.173 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000348049360 378766253 /nfs/dbraw/zinc/76/62/53/378766253.db2.gz QNLJBXDREGLKGS-QZTJIDSGSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000348049360 378766257 /nfs/dbraw/zinc/76/62/57/378766257.db2.gz QNLJBXDREGLKGS-QZTJIDSGSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000348049360 378766265 /nfs/dbraw/zinc/76/62/65/378766265.db2.gz QNLJBXDREGLKGS-QZTJIDSGSA-N 2 1 290.426 3.317 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348086347 378785064 /nfs/dbraw/zinc/78/50/64/378785064.db2.gz YXOJACREUJCRRT-HZPDHXFCSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348086347 378785068 /nfs/dbraw/zinc/78/50/68/378785068.db2.gz YXOJACREUJCRRT-HZPDHXFCSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348086347 378785069 /nfs/dbraw/zinc/78/50/69/378785069.db2.gz YXOJACREUJCRRT-HZPDHXFCSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348086344 378785214 /nfs/dbraw/zinc/78/52/14/378785214.db2.gz YXOJACREUJCRRT-CVEARBPZSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348086344 378785217 /nfs/dbraw/zinc/78/52/17/378785217.db2.gz YXOJACREUJCRRT-CVEARBPZSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348086344 378785219 /nfs/dbraw/zinc/78/52/19/378785219.db2.gz YXOJACREUJCRRT-CVEARBPZSA-N 2 1 260.425 3.472 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348099279 378791725 /nfs/dbraw/zinc/79/17/25/378791725.db2.gz BAZULKAZVAHHQE-BARDWOONSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000638563214 378835023 /nfs/dbraw/zinc/83/50/23/378835023.db2.gz JXNYYUQXGDBYRU-XJKSGUPXSA-N 2 1 278.465 3.122 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C)c1cncs1)[NH+]1CCCCC1 ZINC000346861342 218039282 /nfs/dbraw/zinc/03/92/82/218039282.db2.gz KBQUJRJBNZWDPM-STQMWFEESA-N 2 1 267.442 3.058 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cncs1 ZINC000346861340 218039658 /nfs/dbraw/zinc/03/96/58/218039658.db2.gz KBQUJRJBNZWDPM-QWHCGFSZSA-N 2 1 267.442 3.058 20 0 CGADMP c1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346859630 218040224 /nfs/dbraw/zinc/04/02/24/218040224.db2.gz SXKINRPSUNMFFC-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000348258032 378867659 /nfs/dbraw/zinc/86/76/59/378867659.db2.gz VAHFWCOMKGZGFS-UHFFFAOYSA-N 2 1 287.382 3.390 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2ccccc2n1C ZINC000638673924 378868619 /nfs/dbraw/zinc/86/86/19/378868619.db2.gz BCVAHXBJYHJLOU-UHFFFAOYSA-N 2 1 296.418 3.253 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@](C)(CC)OC)c1 ZINC000638563620 378837148 /nfs/dbraw/zinc/83/71/48/378837148.db2.gz QAPMNCKSJGMOIV-QGZVFWFLSA-N 2 1 278.440 3.043 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2F)C[C@H]1C ZINC000346959557 218070552 /nfs/dbraw/zinc/07/05/52/218070552.db2.gz PMFLKWJTLWEYBP-ZBFHGGJFSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2F)C[C@H]1C ZINC000346959557 218070554 /nfs/dbraw/zinc/07/05/54/218070554.db2.gz PMFLKWJTLWEYBP-ZBFHGGJFSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2F)C[C@H]1C ZINC000346959557 218070556 /nfs/dbraw/zinc/07/05/56/218070556.db2.gz PMFLKWJTLWEYBP-ZBFHGGJFSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C)noc1C ZINC000348307732 378899398 /nfs/dbraw/zinc/89/93/98/378899398.db2.gz COEOPGUNZBHLOL-RDJZCZTQSA-N 2 1 293.455 3.282 20 0 CGADMP CO[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000638699459 378877897 /nfs/dbraw/zinc/87/78/97/378877897.db2.gz AYWPVFLKYDWFCI-HQSKLWIPSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346996292 218085729 /nfs/dbraw/zinc/08/57/29/218085729.db2.gz WKAGDAWXFVLJLP-FUHWJXTLSA-N 2 1 272.436 3.440 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000347032115 218098133 /nfs/dbraw/zinc/09/81/33/218098133.db2.gz YUTVDNXVAULBLK-UHFFFAOYSA-N 2 1 273.207 3.177 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000347032115 218098135 /nfs/dbraw/zinc/09/81/35/218098135.db2.gz YUTVDNXVAULBLK-UHFFFAOYSA-N 2 1 273.207 3.177 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1[NH3+] ZINC000347037793 218101071 /nfs/dbraw/zinc/10/10/71/218101071.db2.gz HSXSVHWPBBTGSM-RDTXWAMCSA-N 2 1 288.435 3.177 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000276623680 378968853 /nfs/dbraw/zinc/96/88/53/378968853.db2.gz ILXPFGLMYNIBND-GOSISDBHSA-N 2 1 283.419 3.484 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000347110361 218125315 /nfs/dbraw/zinc/12/53/15/218125315.db2.gz PIVGIANLHATMMV-LBPRGKRZSA-N 2 1 290.407 3.335 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)CCC1 ZINC000429381009 284734256 /nfs/dbraw/zinc/73/42/56/284734256.db2.gz QRAIEJUMWFSFCT-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccn1 ZINC000348639681 379007026 /nfs/dbraw/zinc/00/70/26/379007026.db2.gz HNHCTCDITBZHOL-ZDUSSCGKSA-N 2 1 291.439 3.004 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2[nH]ccc21 ZINC000276955502 379030200 /nfs/dbraw/zinc/03/02/00/379030200.db2.gz PCPGVXZJQBNNFM-UHFFFAOYSA-N 2 1 271.408 3.086 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000347317560 218189411 /nfs/dbraw/zinc/18/94/11/218189411.db2.gz GHZMSHACGJJDPT-HOTGVXAUSA-N 2 1 262.441 3.185 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ccccc3n2)[C@H](C)C1 ZINC000347368297 218208755 /nfs/dbraw/zinc/20/87/55/218208755.db2.gz XRYUCTBCGAHACW-CRAIPNDOSA-N 2 1 297.446 3.097 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000639170777 379088514 /nfs/dbraw/zinc/08/85/14/379088514.db2.gz XVJXSHXSURAZRM-JZXOWHBKSA-N 2 1 290.451 3.083 20 0 CGADMP C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348878654 379095616 /nfs/dbraw/zinc/09/56/16/379095616.db2.gz RESBULCEKOEMTM-BBCBXFPWSA-N 2 1 284.447 3.347 20 0 CGADMP C[NH+](C[C@H]1C[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348878654 379095627 /nfs/dbraw/zinc/09/56/27/379095627.db2.gz RESBULCEKOEMTM-BBCBXFPWSA-N 2 1 284.447 3.347 20 0 CGADMP C[NH+](C[C@H]1C[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348878654 379095635 /nfs/dbraw/zinc/09/56/35/379095635.db2.gz RESBULCEKOEMTM-BBCBXFPWSA-N 2 1 284.447 3.347 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCC1CCCC1 ZINC000371294445 379133000 /nfs/dbraw/zinc/13/30/00/379133000.db2.gz KVLQHKUUIHLILU-FGTMMUONSA-N 2 1 294.483 3.140 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc3ccccc3c2)CC1 ZINC000277556682 379186288 /nfs/dbraw/zinc/18/62/88/379186288.db2.gz RIYMFKKHWQUUMM-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)CC1 ZINC000277556682 379186295 /nfs/dbraw/zinc/18/62/95/379186295.db2.gz RIYMFKKHWQUUMM-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(C)cc1 ZINC000278852799 194182805 /nfs/dbraw/zinc/18/28/05/194182805.db2.gz AHGQKSQCIWIDDU-WBVHZDCISA-N 2 1 283.419 3.495 20 0 CGADMP c1cn2c(cccc2C[N@H+]2CCCC3(CCC3)C2)n1 ZINC000373487074 379287445 /nfs/dbraw/zinc/28/74/45/379287445.db2.gz BBAVCMWSSAGNST-UHFFFAOYSA-N 2 1 255.365 3.100 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000349387778 379264731 /nfs/dbraw/zinc/26/47/31/379264731.db2.gz WOJQJTUASSPMJY-GDBMZVCRSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000349387778 379264737 /nfs/dbraw/zinc/26/47/37/379264737.db2.gz WOJQJTUASSPMJY-GDBMZVCRSA-N 2 1 263.429 3.340 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000279828841 379527550 /nfs/dbraw/zinc/52/75/50/379527550.db2.gz QCSZUYSORNKSDE-XYJFISCASA-N 2 1 288.410 3.420 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682618 379546153 /nfs/dbraw/zinc/54/61/53/379546153.db2.gz ZQIDJAPRASRZFU-MRXNPFEDSA-N 2 1 281.403 3.355 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H]3C)CCCC2)CC1 ZINC000350093565 379503777 /nfs/dbraw/zinc/50/37/77/379503777.db2.gz GAGPDESQAQJCBA-DOTOQJQBSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758263 379572956 /nfs/dbraw/zinc/57/29/56/379572956.db2.gz RYJHERRKGWQYHB-QGZVFWFLSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000347705280 218327538 /nfs/dbraw/zinc/32/75/38/218327538.db2.gz LPSMMNXMYYJFQN-GDBMZVCRSA-N 2 1 299.418 3.258 20 0 CGADMP COc1cc(Cl)ccc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000280529367 379725347 /nfs/dbraw/zinc/72/53/47/379725347.db2.gz RSMVQAIMRKCNHR-CYBMUJFWSA-N 2 1 296.842 3.122 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C2CC2)c1 ZINC000377803782 379743449 /nfs/dbraw/zinc/74/34/49/379743449.db2.gz ZUQVLCRETUSGJA-AEFFLSMTSA-N 2 1 295.430 3.186 20 0 CGADMP CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000377626691 379709484 /nfs/dbraw/zinc/70/94/84/379709484.db2.gz NSWHVVBYBFCFJC-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000377626691 379709490 /nfs/dbraw/zinc/70/94/90/379709490.db2.gz NSWHVVBYBFCFJC-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000377626691 379709498 /nfs/dbraw/zinc/70/94/98/379709498.db2.gz NSWHVVBYBFCFJC-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP COC(C)(C)CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352369700 379783177 /nfs/dbraw/zinc/78/31/77/379783177.db2.gz RYBMWAMBMNDQGT-UHFFFAOYSA-N 2 1 292.423 3.048 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(Cl)c1 ZINC000352504745 379839522 /nfs/dbraw/zinc/83/95/22/379839522.db2.gz ULECKKLVHXDXPY-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(Cl)c1 ZINC000352504745 379839529 /nfs/dbraw/zinc/83/95/29/379839529.db2.gz ULECKKLVHXDXPY-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCCOc1ccccc1 ZINC000352508928 379839574 /nfs/dbraw/zinc/83/95/74/379839574.db2.gz IMMVRHIJDSFAGO-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP COc1ccsc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352541367 379848293 /nfs/dbraw/zinc/84/82/93/379848293.db2.gz XBOMIQITCRRIMR-UHFFFAOYSA-N 2 1 282.453 3.098 20 0 CGADMP Cc1nn(C(C)C)cc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352541036 379848348 /nfs/dbraw/zinc/84/83/48/379848348.db2.gz STZMEWTTXKDUKY-UHFFFAOYSA-N 2 1 292.471 3.113 20 0 CGADMP Fc1ccc2oc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000352546119 379852452 /nfs/dbraw/zinc/85/24/52/379852452.db2.gz PRWOGNGAOBDQJQ-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2oc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000352546119 379852457 /nfs/dbraw/zinc/85/24/57/379852457.db2.gz PRWOGNGAOBDQJQ-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000347781853 218354482 /nfs/dbraw/zinc/35/44/82/218354482.db2.gz KXEHLURXCZVIQP-ZBFHGGJFSA-N 2 1 263.429 3.157 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000387654088 379878310 /nfs/dbraw/zinc/87/83/10/379878310.db2.gz LINIINRCDKKBGF-OAGGEKHMSA-N 2 1 250.430 3.172 20 0 CGADMP CSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282475522 379928719 /nfs/dbraw/zinc/92/87/19/379928719.db2.gz LCFWASXKORXFKL-MRXNPFEDSA-N 2 1 292.492 3.240 20 0 CGADMP CSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282475522 379928724 /nfs/dbraw/zinc/92/87/24/379928724.db2.gz LCFWASXKORXFKL-MRXNPFEDSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000389583714 379900765 /nfs/dbraw/zinc/90/07/65/379900765.db2.gz MLWUWKQXMPUTAB-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC(F)(F)F ZINC000402648817 379970768 /nfs/dbraw/zinc/97/07/68/379970768.db2.gz GBIKXQUXRGEFDX-FVCCEPFGSA-N 2 1 280.378 3.283 20 0 CGADMP C[C@H](C[N@@H+](C)CC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC000409445695 380033887 /nfs/dbraw/zinc/03/38/87/380033887.db2.gz HJRDQJULMOAVAL-WBVHZDCISA-N 2 1 260.425 3.206 20 0 CGADMP C[C@H](C[NH+](C)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000409445695 380033892 /nfs/dbraw/zinc/03/38/92/380033892.db2.gz HJRDQJULMOAVAL-WBVHZDCISA-N 2 1 260.425 3.206 20 0 CGADMP C[C@H](C[NH+](C)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000409445695 380033899 /nfs/dbraw/zinc/03/38/99/380033899.db2.gz HJRDQJULMOAVAL-WBVHZDCISA-N 2 1 260.425 3.206 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(O)c(C)c2)C[C@H]1C ZINC000347875635 218387505 /nfs/dbraw/zinc/38/75/05/218387505.db2.gz WRJMVYQUZICYGB-WBVHZDCISA-N 2 1 290.451 3.314 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(O)c(C)c2)C[C@H]1C ZINC000347875635 218387508 /nfs/dbraw/zinc/38/75/08/218387508.db2.gz WRJMVYQUZICYGB-WBVHZDCISA-N 2 1 290.451 3.314 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(O)c(C)c2)C[C@H]1C ZINC000347875635 218387510 /nfs/dbraw/zinc/38/75/10/218387510.db2.gz WRJMVYQUZICYGB-WBVHZDCISA-N 2 1 290.451 3.314 20 0 CGADMP C[N@@H+](C[C@@H]1CCCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352917343 380038130 /nfs/dbraw/zinc/03/81/30/380038130.db2.gz WKOLYOXHIPVURL-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](C[C@@H]1CCCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352917343 380038140 /nfs/dbraw/zinc/03/81/40/380038140.db2.gz WKOLYOXHIPVURL-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](C[C@@H]1CCCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352917343 380038148 /nfs/dbraw/zinc/03/81/48/380038148.db2.gz WKOLYOXHIPVURL-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[N@@H+](CCCCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352922715 380039148 /nfs/dbraw/zinc/03/91/48/380039148.db2.gz CRITZDDMHHVVKT-FUNVUKJBSA-N 2 1 278.362 3.276 20 0 CGADMP C[NH+](CCCCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352922715 380039152 /nfs/dbraw/zinc/03/91/52/380039152.db2.gz CRITZDDMHHVVKT-FUNVUKJBSA-N 2 1 278.362 3.276 20 0 CGADMP C[NH+](CCCCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352922715 380039155 /nfs/dbraw/zinc/03/91/55/380039155.db2.gz CRITZDDMHHVVKT-FUNVUKJBSA-N 2 1 278.362 3.276 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)c2ccccc2)C1 ZINC000284408559 380138525 /nfs/dbraw/zinc/13/85/25/380138525.db2.gz NUHGYQWTHXJEDT-SJLPKXTDSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000284408559 380138533 /nfs/dbraw/zinc/13/85/33/380138533.db2.gz NUHGYQWTHXJEDT-SJLPKXTDSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000284408559 380138541 /nfs/dbraw/zinc/13/85/41/380138541.db2.gz NUHGYQWTHXJEDT-SJLPKXTDSA-N 2 1 290.451 3.038 20 0 CGADMP CCN(C)c1ccc(CNc2cc(C3CC3)cc[nH+]2)cn1 ZINC000353151855 380143368 /nfs/dbraw/zinc/14/33/68/380143368.db2.gz KPHMSZLTSZHJFX-UHFFFAOYSA-N 2 1 282.391 3.422 20 0 CGADMP CCCc1nc(C)c(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])o1 ZINC000641823034 380115111 /nfs/dbraw/zinc/11/51/11/380115111.db2.gz PPVDJYPDTCREAW-UKRRQHHQSA-N 2 1 293.455 3.275 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2n[nH]cc2c1 ZINC000353199550 380162924 /nfs/dbraw/zinc/16/29/24/380162924.db2.gz JQFZCBSHTMDWFU-BBRMVZONSA-N 2 1 286.423 3.088 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000414178392 380200246 /nfs/dbraw/zinc/20/02/46/380200246.db2.gz JSMNRVIREUECQN-AYZDXNEBSA-N 2 1 274.399 3.129 20 0 CGADMP Clc1ccc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643032953 380207830 /nfs/dbraw/zinc/20/78/30/380207830.db2.gz JODZKSXZEBCRIZ-XHDPSFHLSA-N 2 1 287.794 3.076 20 0 CGADMP Cc1occc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000414300243 380208983 /nfs/dbraw/zinc/20/89/83/380208983.db2.gz LVDDELNPSIOKGA-UHFFFAOYSA-N 2 1 276.424 3.332 20 0 CGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCC(C)CC1 ZINC000353611481 380215605 /nfs/dbraw/zinc/21/56/05/380215605.db2.gz YQQHMTQOIDGMRZ-RGUZKJPTSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643514516 380335758 /nfs/dbraw/zinc/33/57/58/380335758.db2.gz KHPRITHDJWDHJC-IRXDYDNUSA-N 2 1 260.425 3.041 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682629 380371095 /nfs/dbraw/zinc/37/10/95/380371095.db2.gz YRUUORMOVRZLIN-UPJWGTAASA-N 2 1 282.378 3.346 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414698560 380380352 /nfs/dbraw/zinc/38/03/52/380380352.db2.gz DBQPMGQLLOPUJE-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccccc1C1CC([N@@H+](CCC[NH3+])C2CC2)C1 ZINC000414744607 380390604 /nfs/dbraw/zinc/39/06/04/380390604.db2.gz OPGOHZGLGFDJQW-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000414740813 380390816 /nfs/dbraw/zinc/39/08/16/380390816.db2.gz KFFYGMLDSPJBEB-RDBSUJKOSA-N 2 1 294.389 3.142 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414745398 380391263 /nfs/dbraw/zinc/39/12/63/380391263.db2.gz XNNKPPGCMXVIOU-KURKYZTESA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000643528106 380344728 /nfs/dbraw/zinc/34/47/28/380344728.db2.gz ZOOWOXZWICIIQO-ZWNOBZJWSA-N 2 1 274.330 3.339 20 0 CGADMP CCC[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000414647890 380349992 /nfs/dbraw/zinc/34/99/92/380349992.db2.gz AKGBAWSYJYUHKF-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414670315 380361744 /nfs/dbraw/zinc/36/17/44/380361744.db2.gz CYLAKOBGAYFBPC-JHJVBQTASA-N 2 1 282.378 3.346 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000414669351 380361945 /nfs/dbraw/zinc/36/19/45/380361945.db2.gz ZTNHQJTVJTXDPX-ZFWWWQNUSA-N 2 1 278.465 3.358 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000414817869 380427763 /nfs/dbraw/zinc/42/77/63/380427763.db2.gz UAORTKFXIZQXHM-WBVHZDCISA-N 2 1 262.441 3.423 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414816765 380428466 /nfs/dbraw/zinc/42/84/66/380428466.db2.gz QLTZVNFVWHREEV-CJNGLKHVSA-N 2 1 266.404 3.254 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414819659 380430866 /nfs/dbraw/zinc/43/08/66/380430866.db2.gz ZHHWHEUVTGABMY-NNTXTVRGSA-N 2 1 268.351 3.085 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414818372 380430893 /nfs/dbraw/zinc/43/08/93/380430893.db2.gz VLULFGWKLXLWOH-KRWDZBQOSA-N 2 1 283.419 3.356 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000414837762 380445910 /nfs/dbraw/zinc/44/59/10/380445910.db2.gz JWQGOTSXADYGKW-ZDUSSCGKSA-N 2 1 274.330 3.168 20 0 CGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1C ZINC000414840019 380447819 /nfs/dbraw/zinc/44/78/19/380447819.db2.gz MBNRQXRHHHAQOQ-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414785594 380403702 /nfs/dbraw/zinc/40/37/02/380403702.db2.gz SVLMUOUZPNHIID-NEPJUHHUSA-N 2 1 284.856 3.223 20 0 CGADMP CCCOc1cccc(C[NH2+]CC([NH3+])(CC)CC)c1 ZINC000414803640 380416653 /nfs/dbraw/zinc/41/66/53/380416653.db2.gz MESUAZXXVYGPTR-UHFFFAOYSA-N 2 1 264.413 3.083 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000414808330 380420876 /nfs/dbraw/zinc/42/08/76/380420876.db2.gz SEUPAEXKDUSYBB-LBPRGKRZSA-N 2 1 292.732 3.186 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414922642 380490093 /nfs/dbraw/zinc/49/00/93/380490093.db2.gz GHBKEFHHURDULY-BGTYHANMSA-N 2 1 272.436 3.084 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414933485 380495963 /nfs/dbraw/zinc/49/59/63/380495963.db2.gz APJMQZKOOORFTF-XOYOTBSWSA-N 2 1 272.436 3.227 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)CC3 ZINC000414936404 380496507 /nfs/dbraw/zinc/49/65/07/380496507.db2.gz CTAIVKPRJJQSAL-CPUCHLNUSA-N 2 1 297.446 3.064 20 0 CGADMP CCC[NH2+]CC[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414870959 380467144 /nfs/dbraw/zinc/46/71/44/380467144.db2.gz NDPMERYHOUEERG-LBPRGKRZSA-N 2 1 299.256 3.142 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414870103 380467223 /nfs/dbraw/zinc/46/72/23/380467223.db2.gz CCDJPMADOMGQFP-OAHLLOKOSA-N 2 1 275.440 3.120 20 0 CGADMP c1ccc(CC[C@H]2CCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414881590 380472238 /nfs/dbraw/zinc/47/22/38/380472238.db2.gz AQIAVYLTAKPWOJ-SQNIBIBYSA-N 2 1 272.436 3.130 20 0 CGADMP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895052 380478663 /nfs/dbraw/zinc/47/86/63/380478663.db2.gz VLSSHGQHAWBYRH-BJJXKVORSA-N 2 1 278.827 3.318 20 0 CGADMP CCCCCOc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414895908 380478699 /nfs/dbraw/zinc/47/86/99/380478699.db2.gz NTMFOFAWCKQECW-QGZVFWFLSA-N 2 1 276.424 3.083 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645187731 380609615 /nfs/dbraw/zinc/60/96/15/380609615.db2.gz CADVGFLMGULUHD-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645187731 380609621 /nfs/dbraw/zinc/60/96/21/380609621.db2.gz CADVGFLMGULUHD-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645187731 380609629 /nfs/dbraw/zinc/60/96/29/380609629.db2.gz CADVGFLMGULUHD-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]([NH2+]CCOCC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000419253272 380788478 /nfs/dbraw/zinc/78/84/78/380788478.db2.gz WNQFAIXLLHLJGK-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP Clc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420378431 380852758 /nfs/dbraw/zinc/85/27/58/380852758.db2.gz UICABLYNJOSGOW-CYBMUJFWSA-N 2 1 278.827 3.088 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC[N@@H+]1C ZINC000358025956 381287606 /nfs/dbraw/zinc/28/76/06/381287606.db2.gz SIQAJYWZKJFMAS-XNRPHZJLSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC[N@H+]1C ZINC000358025956 381287614 /nfs/dbraw/zinc/28/76/14/381287614.db2.gz SIQAJYWZKJFMAS-XNRPHZJLSA-N 2 1 292.398 3.112 20 0 CGADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000358296192 381301606 /nfs/dbraw/zinc/30/16/06/381301606.db2.gz FGGTVHZMAVJIMX-ROUUACIJSA-N 2 1 284.447 3.008 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)C12CCC2 ZINC000359987004 381400085 /nfs/dbraw/zinc/40/00/85/381400085.db2.gz MRTKQKQWMSCJBX-GVDBMIGSSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000360677932 381615256 /nfs/dbraw/zinc/61/52/56/381615256.db2.gz BNMVQZVRFPHKRE-ZBFHGGJFSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000360677932 381615270 /nfs/dbraw/zinc/61/52/70/381615270.db2.gz BNMVQZVRFPHKRE-ZBFHGGJFSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334869066 207215810 /nfs/dbraw/zinc/21/58/10/207215810.db2.gz OKKGBWBHKNDVLZ-KGLIPLIRSA-N 2 1 264.438 3.021 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2SCCc3ccccc32)CC[N@H+]1C ZINC000361967761 381878394 /nfs/dbraw/zinc/87/83/94/381878394.db2.gz WSXKWVKELWYQEH-FRFSOERESA-N 2 1 290.476 3.089 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362913208 382144600 /nfs/dbraw/zinc/14/46/00/382144600.db2.gz PZGPIVFIAYQKND-CYBMUJFWSA-N 2 1 289.398 3.129 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000251713604 542347427 /nfs/dbraw/zinc/34/74/27/542347427.db2.gz JQYNMCPCDJRHMO-HFAKWTLXSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000251713604 542347430 /nfs/dbraw/zinc/34/74/30/542347430.db2.gz JQYNMCPCDJRHMO-HFAKWTLXSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000252456024 542350309 /nfs/dbraw/zinc/35/03/09/542350309.db2.gz CYBVPJCNUUNSSJ-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)c1cccc(O)c1 ZINC000414747835 285034594 /nfs/dbraw/zinc/03/45/94/285034594.db2.gz NETKIOKETLRCMF-QLFBSQMISA-N 2 1 276.424 3.163 20 0 CGADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccsc3)s2)CC[C@@H]1[NH3+] ZINC000335333795 208213644 /nfs/dbraw/zinc/21/36/44/208213644.db2.gz GSMNTCLGXWZVHA-GWCFXTLKSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccsc3)s2)CC[C@@H]1[NH3+] ZINC000335333795 208213647 /nfs/dbraw/zinc/21/36/47/208213647.db2.gz GSMNTCLGXWZVHA-GWCFXTLKSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CC=CCC1 ZINC000353751851 220304278 /nfs/dbraw/zinc/30/42/78/220304278.db2.gz KQFLDSYOGBIKCW-PMPSAXMXSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CC=CCC1 ZINC000353751851 220304283 /nfs/dbraw/zinc/30/42/83/220304283.db2.gz KQFLDSYOGBIKCW-PMPSAXMXSA-N 2 1 250.430 3.053 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770426 220319142 /nfs/dbraw/zinc/31/91/42/220319142.db2.gz UQXLFBPVCRVMMA-GDBMZVCRSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770426 220319146 /nfs/dbraw/zinc/31/91/46/220319146.db2.gz UQXLFBPVCRVMMA-GDBMZVCRSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770426 220319152 /nfs/dbraw/zinc/31/91/52/220319152.db2.gz UQXLFBPVCRVMMA-GDBMZVCRSA-N 2 1 285.435 3.473 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000337524704 285148866 /nfs/dbraw/zinc/14/88/66/285148866.db2.gz RJPFCGVNZCGYQG-OKZBNKHCSA-N 2 1 296.499 3.436 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502687237 285149054 /nfs/dbraw/zinc/14/90/54/285149054.db2.gz YXLAYYZHTZIKSI-XWTMOSNGSA-N 2 1 296.499 3.149 20 0 CGADMP COC[C@@H](CC(C)C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000480613048 285218347 /nfs/dbraw/zinc/21/83/47/285218347.db2.gz LXEQZNIYVACEBC-DLBZAZTESA-N 2 1 284.488 3.292 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000300248409 542411799 /nfs/dbraw/zinc/41/17/99/542411799.db2.gz NACVSRNTFUGRCW-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000300248409 542411801 /nfs/dbraw/zinc/41/18/01/542411801.db2.gz NACVSRNTFUGRCW-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP CCc1cc(NCC[N@H+](C)CC)c2ccccc2[nH+]1 ZINC000302004806 542414031 /nfs/dbraw/zinc/41/40/31/542414031.db2.gz ZKZOAUNWZSULLJ-UHFFFAOYSA-N 2 1 257.381 3.161 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261540916 572525364 /nfs/dbraw/zinc/52/53/64/572525364.db2.gz AOPPRHXUFGODNS-RISCZKNCSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261540916 572525366 /nfs/dbraw/zinc/52/53/66/572525366.db2.gz AOPPRHXUFGODNS-RISCZKNCSA-N 2 1 252.789 3.072 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000479475232 285264539 /nfs/dbraw/zinc/26/45/39/285264539.db2.gz FXAPABGIHSGZCX-BRWVUGGUSA-N 2 1 264.457 3.300 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069013 542485756 /nfs/dbraw/zinc/48/57/56/542485756.db2.gz SYSFVUIBTJOGCO-ZOBUZTSGSA-N 2 1 286.419 3.117 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069013 542485760 /nfs/dbraw/zinc/48/57/60/542485760.db2.gz SYSFVUIBTJOGCO-ZOBUZTSGSA-N 2 1 286.419 3.117 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cccs1 ZINC000339073121 542486180 /nfs/dbraw/zinc/48/61/80/542486180.db2.gz AEQWBBHDBYSHFD-KKUMJFAQSA-N 2 1 278.465 3.143 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000353947521 542561675 /nfs/dbraw/zinc/56/16/75/542561675.db2.gz YVYNNSKBJAMIMQ-HIFPTAJRSA-N 2 1 292.389 3.427 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCC[NH+]2C(C)C)C[C@@H]1C ZINC000450466851 285396047 /nfs/dbraw/zinc/39/60/47/285396047.db2.gz JYTRGEJJQPAHPJ-BZSNNMDCSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000450466851 285396048 /nfs/dbraw/zinc/39/60/48/285396048.db2.gz JYTRGEJJQPAHPJ-BZSNNMDCSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1C ZINC000450466851 285396050 /nfs/dbraw/zinc/39/60/50/285396050.db2.gz JYTRGEJJQPAHPJ-BZSNNMDCSA-N 2 1 295.515 3.054 20 0 CGADMP C[C@@H]([NH2+]CCCOc1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000422884936 533386595 /nfs/dbraw/zinc/38/65/95/533386595.db2.gz GAZNOZSOGJTWPF-DNVCBOLYSA-N 2 1 298.430 3.339 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1Cl ZINC000423319728 533439161 /nfs/dbraw/zinc/43/91/61/533439161.db2.gz DUQUQRKUOPMJGX-IUODEOHRSA-N 2 1 266.816 3.380 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000449222751 533467557 /nfs/dbraw/zinc/46/75/57/533467557.db2.gz INAIUDXPQYBWNB-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532901 533507764 /nfs/dbraw/zinc/50/77/64/533507764.db2.gz RXOWXVJUCIPNKI-JCGIZDLHSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423530049 533510896 /nfs/dbraw/zinc/51/08/96/533510896.db2.gz PCFPVOPOLCFAMK-KDOFPFPSSA-N 2 1 298.434 3.040 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1Cl ZINC000423373157 533546423 /nfs/dbraw/zinc/54/64/23/533546423.db2.gz IULFWBUYCPWQKP-UTUOFQBUSA-N 2 1 252.789 3.131 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000449171235 533664653 /nfs/dbraw/zinc/66/46/53/533664653.db2.gz HTKPQJSZEGWIBS-ALOPSCKCSA-N 2 1 288.435 3.109 20 0 CGADMP Cc1cncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000190020371 130051955 /nfs/dbraw/zinc/05/19/55/130051955.db2.gz KKBUCYZELQEFDT-DOTOQJQBSA-N 2 1 287.451 3.133 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000394195303 542613417 /nfs/dbraw/zinc/61/34/17/542613417.db2.gz IBVGXHRTUIYRRM-BBWFWOEESA-N 2 1 258.409 3.199 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC1(C)C ZINC000397784402 542618083 /nfs/dbraw/zinc/61/80/83/542618083.db2.gz JTXJAVXGYLQFCY-BMRXWSCTSA-N 2 1 264.457 3.416 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397784402 542618088 /nfs/dbraw/zinc/61/80/88/542618088.db2.gz JTXJAVXGYLQFCY-BMRXWSCTSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1CC[N@@H+](CCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414699005 542637974 /nfs/dbraw/zinc/63/79/74/542637974.db2.gz DROVBBDCEUNSSH-SMDDNHRTSA-N 2 1 286.341 3.437 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000414919960 542639725 /nfs/dbraw/zinc/63/97/25/542639725.db2.gz WFMZGWXQNYVPLU-QWRGUYRKSA-N 2 1 270.779 3.147 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000414922469 542640758 /nfs/dbraw/zinc/64/07/58/542640758.db2.gz GYIPYMOLDPZNBB-NXEZZACHSA-N 2 1 291.197 3.492 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000414924738 542640814 /nfs/dbraw/zinc/64/08/14/542640814.db2.gz KNCLOGAMOZYMGR-UWVGGRQHSA-N 2 1 273.207 3.353 20 0 CGADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415093681 542642570 /nfs/dbraw/zinc/64/25/70/542642570.db2.gz COHRZFAPUWZKLC-RTBURBONSA-N 2 1 295.430 3.015 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000054463626 392093158 /nfs/dbraw/zinc/09/31/58/392093158.db2.gz BTGDRNHGMVYOCG-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000070171817 392178755 /nfs/dbraw/zinc/17/87/55/392178755.db2.gz BRSHVTTUSHJQCQ-YSVLISHTSA-N 2 1 258.409 3.123 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000071160975 392188031 /nfs/dbraw/zinc/18/80/31/392188031.db2.gz GRTGBMOEMAFDDB-BBRMVZONSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCCCC1 ZINC000071376963 392189413 /nfs/dbraw/zinc/18/94/13/392189413.db2.gz PXJGBSVCCFALOT-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCCCC1 ZINC000071376963 392189419 /nfs/dbraw/zinc/18/94/19/392189419.db2.gz PXJGBSVCCFALOT-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000090234588 392228935 /nfs/dbraw/zinc/22/89/35/392228935.db2.gz JURMZCLMZVZVLJ-RBSFLKMASA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1C(F)(F)F ZINC000361798880 392325591 /nfs/dbraw/zinc/32/55/91/392325591.db2.gz NQWGWOITAGDLTB-LLVKDONJSA-N 2 1 297.324 3.332 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000119089884 392394949 /nfs/dbraw/zinc/39/49/49/392394949.db2.gz HOXNHAYISLHCHL-IRXDYDNUSA-N 2 1 264.457 3.444 20 0 CGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccno2)CC1 ZINC000264042073 131385096 /nfs/dbraw/zinc/38/50/96/131385096.db2.gz FBGGEIRAUBVRDD-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000363846323 392432638 /nfs/dbraw/zinc/43/26/38/392432638.db2.gz CERYIANYPPBAKO-BBWFWOEESA-N 2 1 273.424 3.139 20 0 CGADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C3CC3)CC1)CCCC2 ZINC000291856554 392493076 /nfs/dbraw/zinc/49/30/76/392493076.db2.gz DYHJFJFCWWLKTH-UHFFFAOYSA-N 2 1 284.447 3.282 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000292785978 392510996 /nfs/dbraw/zinc/51/09/96/392510996.db2.gz VBQLXWWQMNPPOA-UHFFFAOYSA-N 2 1 252.427 3.022 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158621452 392572697 /nfs/dbraw/zinc/57/26/97/392572697.db2.gz XNKAWFSMXIPZJR-QGPMSJSTSA-N 2 1 288.435 3.172 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158621452 392572705 /nfs/dbraw/zinc/57/27/05/392572705.db2.gz XNKAWFSMXIPZJR-QGPMSJSTSA-N 2 1 288.435 3.172 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158621452 392572712 /nfs/dbraw/zinc/57/27/12/392572712.db2.gz XNKAWFSMXIPZJR-QGPMSJSTSA-N 2 1 288.435 3.172 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000162091940 392590858 /nfs/dbraw/zinc/59/08/58/392590858.db2.gz CVIQIDLSIAYIIL-OAHLLOKOSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000162091940 392590863 /nfs/dbraw/zinc/59/08/63/392590863.db2.gz CVIQIDLSIAYIIL-OAHLLOKOSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(Cl)cn1C ZINC000162249808 392594396 /nfs/dbraw/zinc/59/43/96/392594396.db2.gz UZTQRPRNVXFHIT-UHFFFAOYSA-N 2 1 294.830 3.096 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(Cl)cn1C ZINC000162249808 392594398 /nfs/dbraw/zinc/59/43/98/392594398.db2.gz UZTQRPRNVXFHIT-UHFFFAOYSA-N 2 1 294.830 3.096 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000162476463 392595782 /nfs/dbraw/zinc/59/57/82/392595782.db2.gz KJRVXMOFYHHAFM-AWEZNQCLSA-N 2 1 272.396 3.060 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000162476463 392595785 /nfs/dbraw/zinc/59/57/85/392595785.db2.gz KJRVXMOFYHHAFM-AWEZNQCLSA-N 2 1 272.396 3.060 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000482197966 542706688 /nfs/dbraw/zinc/70/66/88/542706688.db2.gz ITMVEEJRBHMABL-CVEARBPZSA-N 2 1 262.441 3.185 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000174379798 392640592 /nfs/dbraw/zinc/64/05/92/392640592.db2.gz KATOALFFQBPYNB-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000334418148 392725278 /nfs/dbraw/zinc/72/52/78/392725278.db2.gz RNGYBYSUWUXOTK-KBPBESRZSA-N 2 1 274.399 3.228 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)CC[N@@H+]1C ZINC000334541866 392736559 /nfs/dbraw/zinc/73/65/59/392736559.db2.gz FCOKUKKKUSZSPK-KSSFIOAISA-N 2 1 272.436 3.006 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)CC[N@H+]1C ZINC000334541866 392736564 /nfs/dbraw/zinc/73/65/64/392736564.db2.gz FCOKUKKKUSZSPK-KSSFIOAISA-N 2 1 272.436 3.006 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482935 392737345 /nfs/dbraw/zinc/73/73/45/392737345.db2.gz KUODLYVTJYVEAO-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP CC[C@H]1C[N@@H+](CCc2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647497454 392740923 /nfs/dbraw/zinc/74/09/23/392740923.db2.gz IJJGAFMXNBPBAR-WMZOPIPTSA-N 2 1 274.452 3.412 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647498430 392742316 /nfs/dbraw/zinc/74/23/16/392742316.db2.gz GXKQFNLAONBPAP-WMZOPIPTSA-N 2 1 290.451 3.425 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647498427 392742334 /nfs/dbraw/zinc/74/23/34/392742334.db2.gz GXKQFNLAONBPAP-AEFFLSMTSA-N 2 1 290.451 3.425 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1[NH3+] ZINC000647498675 392742659 /nfs/dbraw/zinc/74/26/59/392742659.db2.gz MSOBQYGCXWPSRG-VQIMIIECSA-N 2 1 295.430 3.308 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H](C)CCc2ccccc2)CC[C@H]1[NH3+] ZINC000647499107 392742859 /nfs/dbraw/zinc/74/28/59/392742859.db2.gz ZNPBSZWFGRNXRQ-KBAYOESNSA-N 2 1 274.452 3.315 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000375244475 392752801 /nfs/dbraw/zinc/75/28/01/392752801.db2.gz GPHQLMVHDXEJDN-ZWKOTPCHSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534742 392755432 /nfs/dbraw/zinc/75/54/32/392755432.db2.gz VEOHDRBJVJNGRV-KANFNMMFSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534742 392755439 /nfs/dbraw/zinc/75/54/39/392755439.db2.gz VEOHDRBJVJNGRV-KANFNMMFSA-N 2 1 284.447 3.181 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1F ZINC000647543118 392759842 /nfs/dbraw/zinc/75/98/42/392759842.db2.gz HVDKZKPNMVWGJF-IAGOWNOFSA-N 2 1 290.426 3.346 20 0 CGADMP Fc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543294 392760982 /nfs/dbraw/zinc/76/09/82/392760982.db2.gz KQKNZIJJSSEGFE-GJZGRUSLSA-N 2 1 276.399 3.037 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000647545749 392762648 /nfs/dbraw/zinc/76/26/48/392762648.db2.gz MCOPOPPGHVGAMF-IRXDYDNUSA-N 2 1 286.463 3.286 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815285 392808103 /nfs/dbraw/zinc/80/81/03/392808103.db2.gz XNNRFZJHNDRZHE-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000375749186 392815171 /nfs/dbraw/zinc/81/51/71/392815171.db2.gz MXXGDJKSAYKQGC-IRXDYDNUSA-N 2 1 296.524 3.328 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(F)cc1F ZINC000647874673 392820947 /nfs/dbraw/zinc/82/09/47/392820947.db2.gz LYJNEACLRABXLK-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP CCC1CCC([N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000647880376 392822312 /nfs/dbraw/zinc/82/23/12/392822312.db2.gz PVKOZBWPBRHANW-SLTAFYQDSA-N 2 1 250.430 3.029 20 0 CGADMP Clc1ccc(CC[N@@H+](CC2CC2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647885922 392826116 /nfs/dbraw/zinc/82/61/16/392826116.db2.gz LKWZBMKZSOXMIZ-MRXNPFEDSA-N 2 1 292.854 3.204 20 0 CGADMP CCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000647886812 392826768 /nfs/dbraw/zinc/82/67/68/392826768.db2.gz XMWYQYCEULDDKY-HOTGVXAUSA-N 2 1 260.425 3.459 20 0 CGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC1CCCCCC1)CCO2 ZINC000648072052 392904829 /nfs/dbraw/zinc/90/48/29/392904829.db2.gz JJXZJTXAUJIWLY-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000381515943 392909119 /nfs/dbraw/zinc/90/91/19/392909119.db2.gz AHOXNGRIRAXLDL-ZUCXIACOSA-N 2 1 276.468 3.275 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCSc1ccc(Cl)cc1 ZINC000520247839 392914505 /nfs/dbraw/zinc/91/45/05/392914505.db2.gz GQFNZEYWXFFUQM-AAEUAGOBSA-N 2 1 284.856 3.244 20 0 CGADMP CC(C)C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000647990861 392858555 /nfs/dbraw/zinc/85/85/55/392858555.db2.gz ORJVOOOLTGNJQH-DOTOQJQBSA-N 2 1 287.451 3.027 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000647990735 392858583 /nfs/dbraw/zinc/85/85/83/392858583.db2.gz ABCCSJIKNDOZPR-SFHVURJKSA-N 2 1 294.483 3.047 20 0 CGADMP CC(C)(C)[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000647992170 392860504 /nfs/dbraw/zinc/86/05/04/392860504.db2.gz NLRYZWFRCWHIMG-IAQYHMDHSA-N 2 1 282.378 3.251 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000491328316 542717179 /nfs/dbraw/zinc/71/71/79/542717179.db2.gz GYNNGZMSLGJSLW-KBXCAEBGSA-N 2 1 272.436 3.302 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCF)C[C@@H]1c1ccccc1 ZINC000340389428 392972508 /nfs/dbraw/zinc/97/25/08/392972508.db2.gz NFJLQPSESMHOOX-HZPDHXFCSA-N 2 1 264.388 3.161 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCF)C[C@@H]1c1ccccc1 ZINC000340389428 392972512 /nfs/dbraw/zinc/97/25/12/392972512.db2.gz NFJLQPSESMHOOX-HZPDHXFCSA-N 2 1 264.388 3.161 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(C)CCC2)CC1 ZINC000340285067 392969710 /nfs/dbraw/zinc/96/97/10/392969710.db2.gz FTRRJLCKQSVLPB-UHFFFAOYSA-N 2 1 296.499 3.247 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466356653 393024498 /nfs/dbraw/zinc/02/44/98/393024498.db2.gz QIYGDIVNIKGJFE-RYSNWHEDSA-N 2 1 292.389 3.285 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414991144 393082215 /nfs/dbraw/zinc/08/22/15/393082215.db2.gz AKDDSOMRMODPGX-STQMWFEESA-N 2 1 262.388 3.036 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415008025 393090976 /nfs/dbraw/zinc/09/09/76/393090976.db2.gz VMVAYIRWRYJQDP-BFHYXJOUSA-N 2 1 276.415 3.282 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(-c2cccc(F)c2)s1)[C@H](C)[NH3+] ZINC000415006621 393091146 /nfs/dbraw/zinc/09/11/46/393091146.db2.gz KSHCLGWFJVOAPZ-WDEREUQCSA-N 2 1 278.396 3.380 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC23CCCCC3)CC[NH2+]1 ZINC000414736973 393052970 /nfs/dbraw/zinc/05/29/70/393052970.db2.gz GYACSVIHVTWQNO-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778502 393054003 /nfs/dbraw/zinc/05/40/03/393054003.db2.gz IYLHTZICZOTSRO-CABCVRRESA-N 2 1 278.827 3.162 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCCC(F)(F)F ZINC000414805294 393054861 /nfs/dbraw/zinc/05/48/61/393054861.db2.gz AKTJDJMTJBERCU-MNOVXSKESA-N 2 1 254.340 3.215 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415049516 393112353 /nfs/dbraw/zinc/11/23/53/393112353.db2.gz AUPIJPKFAYSYMT-NUJGCVRESA-N 2 1 274.452 3.460 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000415055927 393116915 /nfs/dbraw/zinc/11/69/15/393116915.db2.gz PLGKQXBAGJWMBY-GFCCVEGCSA-N 2 1 275.223 3.456 20 0 CGADMP Clc1csc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054143 393117524 /nfs/dbraw/zinc/11/75/24/393117524.db2.gz PLNYORBVEGHYJR-FZMZJTMJSA-N 2 1 284.856 3.366 20 0 CGADMP Clc1csc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054143 393117531 /nfs/dbraw/zinc/11/75/31/393117531.db2.gz PLNYORBVEGHYJR-FZMZJTMJSA-N 2 1 284.856 3.366 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000415054404 393117581 /nfs/dbraw/zinc/11/75/81/393117581.db2.gz PVLYVDGSUHEQTN-AYOQOUSVSA-N 2 1 280.415 3.135 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H](C)c1ccccc1 ZINC000415063691 393124476 /nfs/dbraw/zinc/12/44/76/393124476.db2.gz ITYQVVBQDKGPFF-JKIFEVAISA-N 2 1 260.425 3.286 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415066903 393126280 /nfs/dbraw/zinc/12/62/80/393126280.db2.gz ONYLMDOTCYCJHU-MRXNPFEDSA-N 2 1 272.392 3.348 20 0 CGADMP Fc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(C(F)(F)F)c1 ZINC000415070849 393128272 /nfs/dbraw/zinc/12/82/72/393128272.db2.gz RHOYNBKQDZBHCO-UHFFFAOYSA-N 2 1 290.304 3.076 20 0 CGADMP Cc1cc2cc(C[NH2+]CCC[NH2+]C3CC3)oc2cc1C ZINC000415072237 393129893 /nfs/dbraw/zinc/12/98/93/393129893.db2.gz VXCVKRIJMRHPKW-UHFFFAOYSA-N 2 1 272.392 3.281 20 0 CGADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261809338 393143501 /nfs/dbraw/zinc/14/35/01/393143501.db2.gz HNYHTZUTHUPBEH-XYJFISCASA-N 2 1 272.436 3.172 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415135398 393155229 /nfs/dbraw/zinc/15/52/29/393155229.db2.gz WQJLCKWBGYOZKC-SOLBZPMBSA-N 2 1 274.452 3.172 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415132420 393156431 /nfs/dbraw/zinc/15/64/31/393156431.db2.gz UEJUXZDLZGIBBZ-UXLLHSPISA-N 2 1 260.425 3.097 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C[C@H]1OC ZINC000353612520 393228215 /nfs/dbraw/zinc/22/82/15/393228215.db2.gz JSMXLRAWRWGTIM-WRQOLXDDSA-N 2 1 294.483 3.043 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000470300763 393238034 /nfs/dbraw/zinc/23/80/34/393238034.db2.gz XFBBTINLTBVXPU-RTBURBONSA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000470300763 393238039 /nfs/dbraw/zinc/23/80/39/393238039.db2.gz XFBBTINLTBVXPU-RTBURBONSA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000470300763 393238044 /nfs/dbraw/zinc/23/80/44/393238044.db2.gz XFBBTINLTBVXPU-RTBURBONSA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000470300763 393238046 /nfs/dbraw/zinc/23/80/46/393238046.db2.gz XFBBTINLTBVXPU-RTBURBONSA-N 2 1 286.463 3.379 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000270663282 393239875 /nfs/dbraw/zinc/23/98/75/393239875.db2.gz QYBMZMPQROWKTM-KRWDZBQOSA-N 2 1 283.419 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000270663282 393239879 /nfs/dbraw/zinc/23/98/79/393239879.db2.gz QYBMZMPQROWKTM-KRWDZBQOSA-N 2 1 283.419 3.380 20 0 CGADMP Cc1ccoc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355277865 393287633 /nfs/dbraw/zinc/28/76/33/393287633.db2.gz IWSGGSZQKIPYER-HDICACEKSA-N 2 1 296.414 3.152 20 0 CGADMP Cc1ccoc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355277865 393287637 /nfs/dbraw/zinc/28/76/37/393287637.db2.gz IWSGGSZQKIPYER-HDICACEKSA-N 2 1 296.414 3.152 20 0 CGADMP Cc1ccoc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000355277865 393287642 /nfs/dbraw/zinc/28/76/42/393287642.db2.gz IWSGGSZQKIPYER-HDICACEKSA-N 2 1 296.414 3.152 20 0 CGADMP Cc1ccoc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000355277865 393287649 /nfs/dbraw/zinc/28/76/49/393287649.db2.gz IWSGGSZQKIPYER-HDICACEKSA-N 2 1 296.414 3.152 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000472041507 393327686 /nfs/dbraw/zinc/32/76/86/393327686.db2.gz NEWVKYZVNVXTAF-HNNXBMFYSA-N 2 1 285.435 3.216 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000355229053 393270895 /nfs/dbraw/zinc/27/08/95/393270895.db2.gz YAYRCDSOKJVQDG-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000355229053 393270901 /nfs/dbraw/zinc/27/09/01/393270901.db2.gz YAYRCDSOKJVQDG-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000355229053 393270910 /nfs/dbraw/zinc/27/09/10/393270910.db2.gz YAYRCDSOKJVQDG-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000355229053 393270916 /nfs/dbraw/zinc/27/09/16/393270916.db2.gz YAYRCDSOKJVQDG-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000647224561 393395982 /nfs/dbraw/zinc/39/59/82/393395982.db2.gz NTESPHVUSZBNSL-CVEARBPZSA-N 2 1 270.420 3.201 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000647224563 393396252 /nfs/dbraw/zinc/39/62/52/393396252.db2.gz NTESPHVUSZBNSL-HZPDHXFCSA-N 2 1 270.420 3.201 20 0 CGADMP C[C@H](C[N@H+]1CCCC12CC[NH+](C)CC2)c1ccc(F)cc1 ZINC000475122595 393373883 /nfs/dbraw/zinc/37/38/83/393373883.db2.gz UENKBGTWZNTFEI-OAHLLOKOSA-N 2 1 290.426 3.489 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420390963 393481640 /nfs/dbraw/zinc/48/16/40/393481640.db2.gz ICKBUYUMSAMDGD-FUHWJXTLSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)C[NH+](C)C ZINC000425936439 393445875 /nfs/dbraw/zinc/44/58/75/393445875.db2.gz MQVZPHVGJZZLLN-WFASDCNBSA-N 2 1 296.842 3.341 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(C(F)F)c1 ZINC000420301011 393456042 /nfs/dbraw/zinc/45/60/42/393456042.db2.gz IHQMUVDULSACCM-AWEZNQCLSA-N 2 1 256.340 3.087 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000420395181 393482913 /nfs/dbraw/zinc/48/29/13/393482913.db2.gz CYNOTRLKHQGETB-VHSXEESVSA-N 2 1 273.207 3.254 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCCc1cnccc1C ZINC000356512023 393467477 /nfs/dbraw/zinc/46/74/77/393467477.db2.gz YHNGKDYVGLIHET-INIZCTEOSA-N 2 1 277.456 3.033 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCCc1cnccc1C ZINC000356512023 393467485 /nfs/dbraw/zinc/46/74/85/393467485.db2.gz YHNGKDYVGLIHET-INIZCTEOSA-N 2 1 277.456 3.033 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420326835 393467571 /nfs/dbraw/zinc/46/75/71/393467571.db2.gz XWFKCONGFAETRY-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420339675 393469722 /nfs/dbraw/zinc/46/97/22/393469722.db2.gz OTOWTJIXHQNKKG-AHIWAGSCSA-N 2 1 290.838 3.259 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000429349237 393470339 /nfs/dbraw/zinc/47/03/39/393470339.db2.gz MGADBFVQONYCAF-RDJZCZTQSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000429349237 393470348 /nfs/dbraw/zinc/47/03/48/393470348.db2.gz MGADBFVQONYCAF-RDJZCZTQSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000429349237 393470354 /nfs/dbraw/zinc/47/03/54/393470354.db2.gz MGADBFVQONYCAF-RDJZCZTQSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420356306 393471715 /nfs/dbraw/zinc/47/17/15/393471715.db2.gz GASIPYGHGGFNMP-HNNXBMFYSA-N 2 1 278.440 3.035 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCc1ccc(Cl)cc1 ZINC000420358445 393473517 /nfs/dbraw/zinc/47/35/17/393473517.db2.gz ITDUKJHPQPVDHT-AWEZNQCLSA-N 2 1 268.832 3.236 20 0 CGADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429532098 393475582 /nfs/dbraw/zinc/47/55/82/393475582.db2.gz XBDHSPDHOYAYNL-QGZVFWFLSA-N 2 1 290.451 3.098 20 0 CGADMP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429532098 393475590 /nfs/dbraw/zinc/47/55/90/393475590.db2.gz XBDHSPDHOYAYNL-QGZVFWFLSA-N 2 1 290.451 3.098 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000420375801 393478351 /nfs/dbraw/zinc/47/83/51/393478351.db2.gz PSFTVRGXVCUZAB-VQIMIIECSA-N 2 1 280.415 3.284 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]C[C@H]2CC=CCC2)[C@H](c2ccccc2)C1 ZINC000647248511 393410666 /nfs/dbraw/zinc/41/06/66/393410666.db2.gz DSDPGZAIVGUWOJ-UHOSZYNNSA-N 2 1 284.447 3.278 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420400287 393484793 /nfs/dbraw/zinc/48/47/93/393484793.db2.gz IKDZYRLNTVZSNW-RNCFNFMXSA-N 2 1 272.314 3.093 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488419660 393505978 /nfs/dbraw/zinc/50/59/78/393505978.db2.gz HIEIOKRISUPWRV-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)cc1F ZINC000488432688 393510714 /nfs/dbraw/zinc/51/07/14/393510714.db2.gz HAEUVDMYIZHXRC-FZMZJTMJSA-N 2 1 273.355 3.065 20 0 CGADMP CC(C)C1CC([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000488431014 393510785 /nfs/dbraw/zinc/51/07/85/393510785.db2.gz FRHNFJHKVZJZQD-QRNKSROTSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000488431014 393510789 /nfs/dbraw/zinc/51/07/89/393510789.db2.gz FRHNFJHKVZJZQD-QRNKSROTSA-N 2 1 252.446 3.131 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000430123978 393527506 /nfs/dbraw/zinc/52/75/06/393527506.db2.gz REQOWDBMTCODFV-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000430123978 393527512 /nfs/dbraw/zinc/52/75/12/393527512.db2.gz REQOWDBMTCODFV-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000430123978 393527518 /nfs/dbraw/zinc/52/75/18/393527518.db2.gz REQOWDBMTCODFV-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP COC[C@H](CC(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000359935843 393558613 /nfs/dbraw/zinc/55/86/13/393558613.db2.gz QMEJVFQOBQDOLG-SJORKVTESA-N 2 1 284.488 3.149 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948765 393554682 /nfs/dbraw/zinc/55/46/82/393554682.db2.gz OEIVJCIMMGFVAZ-CYBMUJFWSA-N 2 1 280.378 3.383 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948765 393554689 /nfs/dbraw/zinc/55/46/89/393554689.db2.gz OEIVJCIMMGFVAZ-CYBMUJFWSA-N 2 1 280.378 3.383 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954818 393555683 /nfs/dbraw/zinc/55/56/83/393555683.db2.gz VKPQHMMARSZHJG-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954818 393555687 /nfs/dbraw/zinc/55/56/87/393555687.db2.gz VKPQHMMARSZHJG-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954818 393555693 /nfs/dbraw/zinc/55/56/93/393555693.db2.gz VKPQHMMARSZHJG-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)CC[NH2+]1 ZINC000666654550 542805791 /nfs/dbraw/zinc/80/57/91/542805791.db2.gz RCVHEFAWGJOMMO-FDYHWXHSSA-N 2 1 278.362 3.037 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1Cc2ccccc2C2(CC2)C1 ZINC000360708182 393574670 /nfs/dbraw/zinc/57/46/70/393574670.db2.gz QNLHMDLRMQVCEN-QGZVFWFLSA-N 2 1 284.447 3.408 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1Cc2ccccc2C2(CC2)C1 ZINC000360708182 393574677 /nfs/dbraw/zinc/57/46/77/393574677.db2.gz QNLHMDLRMQVCEN-QGZVFWFLSA-N 2 1 284.447 3.408 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708182 393574687 /nfs/dbraw/zinc/57/46/87/393574687.db2.gz QNLHMDLRMQVCEN-QGZVFWFLSA-N 2 1 284.447 3.408 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708182 393574698 /nfs/dbraw/zinc/57/46/98/393574698.db2.gz QNLHMDLRMQVCEN-QGZVFWFLSA-N 2 1 284.447 3.408 20 0 CGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430560009 393575263 /nfs/dbraw/zinc/57/52/63/393575263.db2.gz YFECTLWEYYFRMR-IRXDYDNUSA-N 2 1 290.451 3.132 20 0 CGADMP Cc1ccc(SCC[NH2+][C@](C)(C[NH3+])C2CC2)cc1C ZINC000430569417 393577088 /nfs/dbraw/zinc/57/70/88/393577088.db2.gz IRLYMTLGBPOYLZ-MRXNPFEDSA-N 2 1 278.465 3.113 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666770295 542814932 /nfs/dbraw/zinc/81/49/32/542814932.db2.gz RTOSOYRCWPWQOW-DOTOQJQBSA-N 2 1 260.425 3.048 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000666801105 542817235 /nfs/dbraw/zinc/81/72/35/542817235.db2.gz VFHRWERBRYBPIJ-DOMZBBRYSA-N 2 1 266.454 3.176 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318919 393602323 /nfs/dbraw/zinc/60/23/23/393602323.db2.gz IZDZXHAYTIUGRJ-RTBURBONSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318919 393602327 /nfs/dbraw/zinc/60/23/27/393602327.db2.gz IZDZXHAYTIUGRJ-RTBURBONSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318919 393602333 /nfs/dbraw/zinc/60/23/33/393602333.db2.gz IZDZXHAYTIUGRJ-RTBURBONSA-N 2 1 284.447 3.480 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCC1CCCCC1)CC[NH2+]CC2 ZINC000424293747 393680169 /nfs/dbraw/zinc/68/01/69/393680169.db2.gz PXCTYEIQONLHKT-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422751 393612964 /nfs/dbraw/zinc/61/29/64/393612964.db2.gz GOFDSEOPPXCPON-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422751 393612966 /nfs/dbraw/zinc/61/29/66/393612966.db2.gz GOFDSEOPPXCPON-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccs1 ZINC000432420819 393613070 /nfs/dbraw/zinc/61/30/70/393613070.db2.gz DEAJYNPMUQCLAT-CABCVRRESA-N 2 1 296.480 3.290 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccs1 ZINC000432420819 393613072 /nfs/dbraw/zinc/61/30/72/393613072.db2.gz DEAJYNPMUQCLAT-CABCVRRESA-N 2 1 296.480 3.290 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360965825 393625875 /nfs/dbraw/zinc/62/58/75/393625875.db2.gz ITEGNIVYTPMCFA-VNHYZAJKSA-N 2 1 266.454 3.142 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360965825 393625879 /nfs/dbraw/zinc/62/58/79/393625879.db2.gz ITEGNIVYTPMCFA-VNHYZAJKSA-N 2 1 266.454 3.142 20 0 CGADMP C[C@H]1CCC[C@@H](CC[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000422640475 393640764 /nfs/dbraw/zinc/64/07/64/393640764.db2.gz VPUAXJTXFZACQT-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)C1CC1 ZINC000423314430 393660982 /nfs/dbraw/zinc/66/09/82/393660982.db2.gz HEBBQQXCSWXHTH-CHWSQXEVSA-N 2 1 282.840 3.204 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccccc21 ZINC000423339158 393662639 /nfs/dbraw/zinc/66/26/39/393662639.db2.gz ZGSDDXYDYGRHJO-GVDBMIGSSA-N 2 1 258.409 3.198 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C1CCCC1 ZINC000423531467 393671579 /nfs/dbraw/zinc/67/15/79/393671579.db2.gz QKSSURRZOQKKCR-DLBZAZTESA-N 2 1 258.409 3.171 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423531480 393672375 /nfs/dbraw/zinc/67/23/75/393672375.db2.gz QLPRPUIIYLWJPK-RYQLBKOJSA-N 2 1 272.436 3.467 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000435380034 393714850 /nfs/dbraw/zinc/71/48/50/393714850.db2.gz PEYWFJNPKANZRP-YOEHRIQHSA-N 2 1 260.425 3.022 20 0 CGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC000443615891 393767067 /nfs/dbraw/zinc/76/70/67/393767067.db2.gz KVWDLVBDWCPDJN-CQSZACIVSA-N 2 1 292.389 3.383 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC000443615891 393767068 /nfs/dbraw/zinc/76/70/68/393767068.db2.gz KVWDLVBDWCPDJN-CQSZACIVSA-N 2 1 292.389 3.383 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC000443615891 393767069 /nfs/dbraw/zinc/76/70/69/393767069.db2.gz KVWDLVBDWCPDJN-CQSZACIVSA-N 2 1 292.389 3.383 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000443615891 393767070 /nfs/dbraw/zinc/76/70/70/393767070.db2.gz KVWDLVBDWCPDJN-CQSZACIVSA-N 2 1 292.389 3.383 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502698576 393882494 /nfs/dbraw/zinc/88/24/94/393882494.db2.gz NQLJNGIWZXARRX-WKULXVSPSA-N 2 1 296.499 3.148 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502698576 393882498 /nfs/dbraw/zinc/88/24/98/393882498.db2.gz NQLJNGIWZXARRX-WKULXVSPSA-N 2 1 296.499 3.148 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560375 393904346 /nfs/dbraw/zinc/90/43/46/393904346.db2.gz KDCNWGNWBHIEJX-AKBNIOSXSA-N 2 1 262.441 3.194 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2COCC2(C)C)cc1 ZINC000449621947 393924002 /nfs/dbraw/zinc/92/40/02/393924002.db2.gz BMIDYVNTCUTIML-GUYCJALGSA-N 2 1 299.418 3.256 20 0 CGADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC(C)(C)C1 ZINC000452100685 394050127 /nfs/dbraw/zinc/05/01/27/394050127.db2.gz FBWHBSJZYBZCNZ-AWEZNQCLSA-N 2 1 252.446 3.370 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC12CCC(CC1)C2 ZINC000450603365 394029365 /nfs/dbraw/zinc/02/93/65/394029365.db2.gz TXUZUGLUQRRRSP-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC12CCC(CC1)C2 ZINC000450603365 394029369 /nfs/dbraw/zinc/02/93/69/394029369.db2.gz TXUZUGLUQRRRSP-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000453067343 394159104 /nfs/dbraw/zinc/15/91/04/394159104.db2.gz AHLPHEGOGWQYHR-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP CCn1ccnc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000453067432 394159211 /nfs/dbraw/zinc/15/92/11/394159211.db2.gz XQNWLYPDPKRBMS-JKSUJKDBSA-N 2 1 292.471 3.066 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc32)CC[N@H+]1C ZINC000453247586 394218884 /nfs/dbraw/zinc/21/88/84/394218884.db2.gz KAJLOXWSWKQZOJ-DJIMGWMZSA-N 2 1 272.436 3.179 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1CC1 ZINC000453408139 394236586 /nfs/dbraw/zinc/23/65/86/394236586.db2.gz SHBQKDPXMRPMPI-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000453417815 394241102 /nfs/dbraw/zinc/24/11/02/394241102.db2.gz YBTDGFWVXVNHHY-SFHVURJKSA-N 2 1 288.435 3.234 20 0 CGADMP CCCc1csc(C[NH2+]CCCC[N@@H+](C)C2CC2)n1 ZINC000453594422 394253156 /nfs/dbraw/zinc/25/31/56/394253156.db2.gz IOCSVHNOAFHCNC-UHFFFAOYSA-N 2 1 281.469 3.060 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1F ZINC000453596919 394253546 /nfs/dbraw/zinc/25/35/46/394253546.db2.gz MDQZCJMLXXNYCV-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2cnc3n2CCC3)cc1 ZINC000667543055 542886955 /nfs/dbraw/zinc/88/69/55/542886955.db2.gz OAZPHLVFOOAWRC-INIZCTEOSA-N 2 1 299.393 3.176 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]2CCCC[C@H]12 ZINC000667964611 542950101 /nfs/dbraw/zinc/95/01/01/542950101.db2.gz LZXWEWPPHPQERB-OLMNPRSZSA-N 2 1 296.418 3.278 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]2CCCC[C@H]12 ZINC000667964611 542950104 /nfs/dbraw/zinc/95/01/04/542950104.db2.gz LZXWEWPPHPQERB-OLMNPRSZSA-N 2 1 296.418 3.278 20 0 CGADMP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]2CCC[C@H]21 ZINC000668196585 542987122 /nfs/dbraw/zinc/98/71/22/542987122.db2.gz PYYHVNPIFIAIAX-SJORKVTESA-N 2 1 296.418 3.278 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]2CCC[C@H]21 ZINC000668196585 542987126 /nfs/dbraw/zinc/98/71/26/542987126.db2.gz PYYHVNPIFIAIAX-SJORKVTESA-N 2 1 296.418 3.278 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819930 543066226 /nfs/dbraw/zinc/06/62/26/543066226.db2.gz QQQDBOUXOKSZHI-WBVHZDCISA-N 2 1 266.473 3.380 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(C)(C)C ZINC000670265732 543148091 /nfs/dbraw/zinc/14/80/91/543148091.db2.gz ZIZYOUULFOXRKA-ILXRZTDVSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(C)(C)C ZINC000670265732 543148093 /nfs/dbraw/zinc/14/80/93/543148093.db2.gz ZIZYOUULFOXRKA-ILXRZTDVSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(C)(C)C ZINC000670265732 543148094 /nfs/dbraw/zinc/14/80/94/543148094.db2.gz ZIZYOUULFOXRKA-ILXRZTDVSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302441645 397676452 /nfs/dbraw/zinc/67/64/52/397676452.db2.gz WLGBJGTVHLHRLU-XHSDSOJGSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000396908499 397697626 /nfs/dbraw/zinc/69/76/26/397697626.db2.gz HKAHTCWVRXUNNT-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)CC)[C@H](C)C1 ZINC000674305654 543280644 /nfs/dbraw/zinc/28/06/44/543280644.db2.gz NBMDWSTZMJOCOG-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP CC[N@@H+](CCCN[C@@H](C)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710471 397898082 /nfs/dbraw/zinc/89/80/82/397898082.db2.gz PQRLEBPBLGHUEB-DLBZAZTESA-N 2 1 295.515 3.151 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1CC[NH3+] ZINC000650711967 397899352 /nfs/dbraw/zinc/89/93/52/397899352.db2.gz LDALYAPEMOAZMM-LAVFITLUSA-N 2 1 272.436 3.239 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000650720397 397902259 /nfs/dbraw/zinc/90/22/59/397902259.db2.gz NNJBVLIYBAUYDX-HNNXBMFYSA-N 2 1 286.419 3.481 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675901576 543371930 /nfs/dbraw/zinc/37/19/30/543371930.db2.gz IZFLXINTQVPPAL-MJBXVCDLSA-N 2 1 266.454 3.142 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675901576 543371934 /nfs/dbraw/zinc/37/19/34/543371934.db2.gz IZFLXINTQVPPAL-MJBXVCDLSA-N 2 1 266.454 3.142 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000677235891 543440558 /nfs/dbraw/zinc/44/05/58/543440558.db2.gz JFHDXFFQUROAJO-RTBURBONSA-N 2 1 286.463 3.452 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677240763 543441470 /nfs/dbraw/zinc/44/14/70/543441470.db2.gz KBQKCMJGLKHJCL-WDSOQIARSA-N 2 1 286.463 3.451 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)s1 ZINC000677754963 543463938 /nfs/dbraw/zinc/46/39/38/543463938.db2.gz NSAZSICFSFGANR-NSHDSACASA-N 2 1 279.453 3.119 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000678156155 543490129 /nfs/dbraw/zinc/49/01/29/543490129.db2.gz RLWCQPFYFQAKHP-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414666316 286362188 /nfs/dbraw/zinc/36/21/88/286362188.db2.gz GCOZWJHYNQGFAB-RKVPGOIHSA-N 2 1 288.435 3.220 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C12CCC2 ZINC000087708922 286490629 /nfs/dbraw/zinc/49/06/29/286490629.db2.gz ZCKOVWKMTYSENB-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@H]4CC[N@H+](C)C[C@@H]43)c2c1 ZINC000354591479 292398188 /nfs/dbraw/zinc/39/81/88/292398188.db2.gz HEOOCDBMLOTVSZ-KDOFPFPSSA-N 2 1 281.403 3.074 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1OC(F)F ZINC000423286678 286902849 /nfs/dbraw/zinc/90/28/49/286902849.db2.gz ICLDNTAPFFUKQV-LLVKDONJSA-N 2 1 272.339 3.066 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1(C)CC1 ZINC000247011632 287022343 /nfs/dbraw/zinc/02/23/43/287022343.db2.gz LGIMAGUDDSQFRQ-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CSCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000075743657 287027745 /nfs/dbraw/zinc/02/77/45/287027745.db2.gz NTGPHWRKJCNUPR-JKSUJKDBSA-N 2 1 284.513 3.326 20 0 CGADMP CSCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000075743657 287027747 /nfs/dbraw/zinc/02/77/47/287027747.db2.gz NTGPHWRKJCNUPR-JKSUJKDBSA-N 2 1 284.513 3.326 20 0 CGADMP CSCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000075743657 287027748 /nfs/dbraw/zinc/02/77/48/287027748.db2.gz NTGPHWRKJCNUPR-JKSUJKDBSA-N 2 1 284.513 3.326 20 0 CGADMP CCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109899 287032017 /nfs/dbraw/zinc/03/20/17/287032017.db2.gz NUTPHTWJYJIAJN-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109899 287032020 /nfs/dbraw/zinc/03/20/20/287032020.db2.gz NUTPHTWJYJIAJN-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109899 287032023 /nfs/dbraw/zinc/03/20/23/287032023.db2.gz NUTPHTWJYJIAJN-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000066152383 165034229 /nfs/dbraw/zinc/03/42/29/165034229.db2.gz QFRQWWADWSNBSD-KRWDZBQOSA-N 2 1 290.451 3.153 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000066152383 165034230 /nfs/dbraw/zinc/03/42/30/165034230.db2.gz QFRQWWADWSNBSD-KRWDZBQOSA-N 2 1 290.451 3.153 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000080426629 165154909 /nfs/dbraw/zinc/15/49/09/165154909.db2.gz RZIGVCJDIYRSEV-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)C)C1 ZINC000090585606 287102736 /nfs/dbraw/zinc/10/27/36/287102736.db2.gz GZDSAYQCSZIGGG-LSDHHAIUSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000090585790 287102995 /nfs/dbraw/zinc/10/29/95/287102995.db2.gz DLVIPVJULYSJBT-JKSUJKDBSA-N 2 1 296.499 3.290 20 0 CGADMP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c2ccccc12 ZINC000091672096 165265802 /nfs/dbraw/zinc/26/58/02/165265802.db2.gz QWGVMPZVLQRCNM-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)ccc2c1 ZINC000094338781 165350039 /nfs/dbraw/zinc/35/00/39/165350039.db2.gz WMUBETISEREAJW-ACJLOTCBSA-N 2 1 284.403 3.018 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC(C)(C)C[NH3+] ZINC000163766343 165480325 /nfs/dbraw/zinc/48/03/25/165480325.db2.gz VHRAOEKADWVEQP-UHFFFAOYSA-N 2 1 292.320 3.261 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000093944928 287120680 /nfs/dbraw/zinc/12/06/80/287120680.db2.gz JRYITTNDQUJVSA-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1F ZINC000110974450 287132266 /nfs/dbraw/zinc/13/22/66/287132266.db2.gz DBBSAMMJXBAEIF-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000110974450 287132270 /nfs/dbraw/zinc/13/22/70/287132270.db2.gz DBBSAMMJXBAEIF-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000116384235 287157208 /nfs/dbraw/zinc/15/72/08/287157208.db2.gz HOSGRABLWYVIMM-KZNAEPCWSA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000116384235 287157211 /nfs/dbraw/zinc/15/72/11/287157211.db2.gz HOSGRABLWYVIMM-KZNAEPCWSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@H]1CC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000118968696 287162707 /nfs/dbraw/zinc/16/27/07/287162707.db2.gz KXDAKPSCZJKUFW-IRXDYDNUSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119675258 287172474 /nfs/dbraw/zinc/17/24/74/287172474.db2.gz KSTCECBSXDKHBC-SJORKVTESA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@H](COC)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125181858 287240799 /nfs/dbraw/zinc/24/07/99/287240799.db2.gz PVKZSMSWACSYHU-DOTOQJQBSA-N 2 1 290.451 3.227 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]CC3CCC3)CC2)cc1 ZINC000037515620 173247042 /nfs/dbraw/zinc/24/70/42/173247042.db2.gz KWGSNCHMCXORMC-UHFFFAOYSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000038040664 174041186 /nfs/dbraw/zinc/04/11/86/174041186.db2.gz GGDMRYZSXOZRTL-VIFPVBQESA-N 2 1 273.207 3.396 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000038098017 174112028 /nfs/dbraw/zinc/11/20/28/174112028.db2.gz QIWXDRYGPRHTAJ-CQSZACIVSA-N 2 1 272.436 3.310 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746479 174391724 /nfs/dbraw/zinc/39/17/24/174391724.db2.gz CCSFXJROBQEUNI-SJPCQFCGSA-N 2 1 288.435 3.189 20 0 CGADMP C[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000043533853 175062876 /nfs/dbraw/zinc/06/28/76/175062876.db2.gz VPSLKSGFMKUMNZ-OAHLLOKOSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000071205473 176079595 /nfs/dbraw/zinc/07/95/95/176079595.db2.gz SZTGAGBJQIYTAX-MAUKXSAKSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000071205470 176079694 /nfs/dbraw/zinc/07/96/94/176079694.db2.gz SZTGAGBJQIYTAX-QAPCUYQASA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000071206777 176080407 /nfs/dbraw/zinc/08/04/07/176080407.db2.gz FGRYLJVRXHUPCE-QFBILLFUSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000129014307 287322540 /nfs/dbraw/zinc/32/25/40/287322540.db2.gz LOEKGZRZWCBTJB-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000129014307 287322541 /nfs/dbraw/zinc/32/25/41/287322541.db2.gz LOEKGZRZWCBTJB-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953740 416477942 /nfs/dbraw/zinc/47/79/42/416477942.db2.gz AAZHORQEXAPRAS-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)CC1CCOCC1 ZINC000313814420 416535963 /nfs/dbraw/zinc/53/59/63/416535963.db2.gz SEIWGASVYRLTGF-ZWKOTPCHSA-N 2 1 294.483 3.047 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)[C@@H]1CC[NH3+] ZINC000404360270 416551694 /nfs/dbraw/zinc/55/16/94/416551694.db2.gz DWTVWXCJMWCRKX-WMLDXEAASA-N 2 1 283.419 3.184 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCc2ccccc2)[C@@H]1CC[NH3+] ZINC000404412390 416554301 /nfs/dbraw/zinc/55/43/01/416554301.db2.gz YQQVUUPGUVIRHF-DOTOQJQBSA-N 2 1 260.425 3.069 20 0 CGADMP CCO[C@@H]1C[N@H+]([C@H](C)c2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000405492622 416558287 /nfs/dbraw/zinc/55/82/87/416558287.db2.gz ADJXVUHYRJYMCE-NIKGAXFTSA-N 2 1 298.430 3.196 20 0 CGADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[C@H](F)C2)C[C@@H]1F ZINC000679227734 543604285 /nfs/dbraw/zinc/60/42/85/543604285.db2.gz ZYCHDZWCHPSUBL-SYMSYNOKSA-N 2 1 288.426 3.126 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[C@H](F)C2)C[C@@H]1F ZINC000679227734 543604287 /nfs/dbraw/zinc/60/42/87/543604287.db2.gz ZYCHDZWCHPSUBL-SYMSYNOKSA-N 2 1 288.426 3.126 20 0 CGADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[C@H](F)C2)C[C@@H]1F ZINC000679227734 543604292 /nfs/dbraw/zinc/60/42/92/543604292.db2.gz ZYCHDZWCHPSUBL-SYMSYNOKSA-N 2 1 288.426 3.126 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000680326742 543697476 /nfs/dbraw/zinc/69/74/76/543697476.db2.gz ICYSZGFRPXWXQG-IKGGRYGDSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721123 543657609 /nfs/dbraw/zinc/65/76/09/543657609.db2.gz IJLHIENGNNFPBT-NVXWUHKLSA-N 2 1 287.451 3.133 20 0 CGADMP CC(C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679722220 543658579 /nfs/dbraw/zinc/65/85/79/543658579.db2.gz ZNEGMWSZZOKIJE-RCCFBDPRSA-N 2 1 272.436 3.285 20 0 CGADMP c1cn([C@H]2CCC[N@H+](CCCOCc3ccccc3)C2)cn1 ZINC000680372356 543704974 /nfs/dbraw/zinc/70/49/74/543704974.db2.gz FKKJDOAVGISBMJ-SFHVURJKSA-N 2 1 299.418 3.127 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000130567306 287358326 /nfs/dbraw/zinc/35/83/26/287358326.db2.gz JMRREZWSVLPALW-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000682375695 543837471 /nfs/dbraw/zinc/83/74/71/543837471.db2.gz LNKTYKUFLGGHQK-NXHRZFHOSA-N 2 1 296.499 3.148 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000131330605 287376355 /nfs/dbraw/zinc/37/63/55/287376355.db2.gz JOCMZSWHQWGUDH-HUUCEWRRSA-N 2 1 280.362 3.341 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000131330605 287376357 /nfs/dbraw/zinc/37/63/57/287376357.db2.gz JOCMZSWHQWGUDH-HUUCEWRRSA-N 2 1 280.362 3.341 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000366970166 226015080 /nfs/dbraw/zinc/01/50/80/226015080.db2.gz PUKUUNSTTNPQEE-OKYOBFRVSA-N 2 1 284.447 3.287 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000683225093 543905685 /nfs/dbraw/zinc/90/56/85/543905685.db2.gz WJYDOTJAZHNUNO-HNNXBMFYSA-N 2 1 286.423 3.314 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000683225093 543905687 /nfs/dbraw/zinc/90/56/87/543905687.db2.gz WJYDOTJAZHNUNO-HNNXBMFYSA-N 2 1 286.423 3.314 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3cnccc3c2)C1 ZINC000683832801 543947247 /nfs/dbraw/zinc/94/72/47/543947247.db2.gz MJLJABVXYFTXHK-KRWDZBQOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683832801 543947250 /nfs/dbraw/zinc/94/72/50/543947250.db2.gz MJLJABVXYFTXHK-KRWDZBQOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000683832801 543947252 /nfs/dbraw/zinc/94/72/52/543947252.db2.gz MJLJABVXYFTXHK-KRWDZBQOSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000683888805 543949859 /nfs/dbraw/zinc/94/98/59/543949859.db2.gz KXWGCBACJOVPFG-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000684369198 543987312 /nfs/dbraw/zinc/98/73/12/543987312.db2.gz JWCQSHHBOPJVGX-KSZLIROESA-N 2 1 296.499 3.290 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2[nH]1 ZINC000685459729 544073899 /nfs/dbraw/zinc/07/38/99/544073899.db2.gz IMPFGYWVNZTYHT-UHFFFAOYSA-N 2 1 285.435 3.476 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2[nH]1 ZINC000685459729 544073905 /nfs/dbraw/zinc/07/39/05/544073905.db2.gz IMPFGYWVNZTYHT-UHFFFAOYSA-N 2 1 285.435 3.476 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C)(C)c1ccccc1 ZINC000685462180 544074616 /nfs/dbraw/zinc/07/46/16/544074616.db2.gz VCUIJWIFJGBYFT-UHFFFAOYSA-N 2 1 285.435 3.491 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C)(C)c1ccccc1 ZINC000685462180 544074618 /nfs/dbraw/zinc/07/46/18/544074618.db2.gz VCUIJWIFJGBYFT-UHFFFAOYSA-N 2 1 285.435 3.491 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCc2occc21 ZINC000652222535 418937373 /nfs/dbraw/zinc/93/73/73/418937373.db2.gz QYDMMLTTXKIEBI-HNNXBMFYSA-N 2 1 264.413 3.225 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCc2occc21 ZINC000652222535 418937376 /nfs/dbraw/zinc/93/73/76/418937376.db2.gz QYDMMLTTXKIEBI-HNNXBMFYSA-N 2 1 264.413 3.225 20 0 CGADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000658331666 418939206 /nfs/dbraw/zinc/93/92/06/418939206.db2.gz LZXJTVPBNSJTHQ-VUCTXSBTSA-N 2 1 285.391 3.009 20 0 CGADMP CC[N@@H+](CCCN[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237350 418940145 /nfs/dbraw/zinc/94/01/45/418940145.db2.gz NCTSZHPGSSAYFC-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237350 418940148 /nfs/dbraw/zinc/94/01/48/418940148.db2.gz NCTSZHPGSSAYFC-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237350 418940150 /nfs/dbraw/zinc/94/01/50/418940150.db2.gz NCTSZHPGSSAYFC-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355854 418955913 /nfs/dbraw/zinc/95/59/13/418955913.db2.gz JZMKYOXPYZEIBY-HIFRSBDPSA-N 2 1 278.465 3.358 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363623 418958388 /nfs/dbraw/zinc/95/83/88/418958388.db2.gz JIESXEYJBMJLBT-OAGGEKHMSA-N 2 1 282.472 3.174 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000659924252 419034464 /nfs/dbraw/zinc/03/44/64/419034464.db2.gz DDTQZYXKMWZEHZ-MRXNPFEDSA-N 2 1 260.425 3.194 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000659963723 419048174 /nfs/dbraw/zinc/04/81/74/419048174.db2.gz XXPXDFBZRMMHJQ-ZIAGYGMSSA-N 2 1 276.415 3.474 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000659963723 419048177 /nfs/dbraw/zinc/04/81/77/419048177.db2.gz XXPXDFBZRMMHJQ-ZIAGYGMSSA-N 2 1 276.415 3.474 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000659963723 419048179 /nfs/dbraw/zinc/04/81/79/419048179.db2.gz XXPXDFBZRMMHJQ-ZIAGYGMSSA-N 2 1 276.415 3.474 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)c(F)c1 ZINC000665247898 419091313 /nfs/dbraw/zinc/09/13/13/419091313.db2.gz LKGMQXUEEPXVHY-SNVBAGLBSA-N 2 1 270.779 3.401 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CCCC1 ZINC000665249372 419092254 /nfs/dbraw/zinc/09/22/54/419092254.db2.gz PAJBAZGFYQECDH-CYBMUJFWSA-N 2 1 280.412 3.224 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250141 419092823 /nfs/dbraw/zinc/09/28/23/419092823.db2.gz IXIZUAKBRINQDS-USXIJHARSA-N 2 1 260.425 3.156 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(OC(F)F)cc1 ZINC000665250701 419092931 /nfs/dbraw/zinc/09/29/31/419092931.db2.gz ZSGMHZDWPCONRI-NSHDSACASA-N 2 1 284.350 3.210 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cnc2ccsc2c1 ZINC000665249624 419092941 /nfs/dbraw/zinc/09/29/41/419092941.db2.gz UZRFAMDTNVEHBY-NSHDSACASA-N 2 1 275.421 3.218 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253620 419094253 /nfs/dbraw/zinc/09/42/53/419094253.db2.gz XOTITNVFEWHSOG-KKBVYLPWSA-N 2 1 276.399 3.049 20 0 CGADMP Clc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000665278268 419099401 /nfs/dbraw/zinc/09/94/01/419099401.db2.gz ZUIICZTVSKEKFB-AJQRCPHMSA-N 2 1 276.811 3.133 20 0 CGADMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)c2ccccc21 ZINC000665279945 419101055 /nfs/dbraw/zinc/10/10/55/419101055.db2.gz PVNNDMPVIKSJSL-WHENESEISA-N 2 1 284.378 3.382 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000665296357 419109225 /nfs/dbraw/zinc/10/92/25/419109225.db2.gz ROPPYEUFIWADFD-HIFRSBDPSA-N 2 1 266.454 3.001 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](CSc1ccccc1)C(C)C ZINC000665296356 419109468 /nfs/dbraw/zinc/10/94/68/419109468.db2.gz ROPPYEUFIWADFD-DZGCQCFKSA-N 2 1 266.454 3.001 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000653608143 419058371 /nfs/dbraw/zinc/05/83/71/419058371.db2.gz GPCIGZUAMWVTTQ-OIISXLGYSA-N 2 1 277.456 3.403 20 0 CGADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC1CCCC1 ZINC000655696428 419069081 /nfs/dbraw/zinc/06/90/81/419069081.db2.gz PHPNLIFIGOFHHR-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660116416 419080441 /nfs/dbraw/zinc/08/04/41/419080441.db2.gz YGMSECXAMKBQOI-RXYDEIHYSA-N 2 1 288.479 3.371 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000660116416 419080443 /nfs/dbraw/zinc/08/04/43/419080443.db2.gz YGMSECXAMKBQOI-RXYDEIHYSA-N 2 1 288.479 3.371 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000660116416 419080448 /nfs/dbraw/zinc/08/04/48/419080448.db2.gz YGMSECXAMKBQOI-RXYDEIHYSA-N 2 1 288.479 3.371 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000660617304 419169273 /nfs/dbraw/zinc/16/92/73/419169273.db2.gz WZALVFFLUDLFHS-HKUYNNGSSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000660617304 419169277 /nfs/dbraw/zinc/16/92/77/419169277.db2.gz WZALVFFLUDLFHS-HKUYNNGSSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000660617304 419169280 /nfs/dbraw/zinc/16/92/80/419169280.db2.gz WZALVFFLUDLFHS-HKUYNNGSSA-N 2 1 284.447 3.134 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC1CCCCC1)C2 ZINC000660656925 419176903 /nfs/dbraw/zinc/17/69/03/419176903.db2.gz BMGVHGRHTOBVIW-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000660656925 419176906 /nfs/dbraw/zinc/17/69/06/419176906.db2.gz BMGVHGRHTOBVIW-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000660656925 419176908 /nfs/dbraw/zinc/17/69/08/419176908.db2.gz BMGVHGRHTOBVIW-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2OC)C1 ZINC000655937290 419127913 /nfs/dbraw/zinc/12/79/13/419127913.db2.gz ZHFHODUXBYCVPD-OAHLLOKOSA-N 2 1 290.451 3.250 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2OC)C1 ZINC000655937290 419127916 /nfs/dbraw/zinc/12/79/16/419127916.db2.gz ZHFHODUXBYCVPD-OAHLLOKOSA-N 2 1 290.451 3.250 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694966 419204920 /nfs/dbraw/zinc/20/49/20/419204920.db2.gz XVDITAAAVMATME-JKSUJKDBSA-N 2 1 298.858 3.082 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694966 419204922 /nfs/dbraw/zinc/20/49/22/419204922.db2.gz XVDITAAAVMATME-JKSUJKDBSA-N 2 1 298.858 3.082 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657286246 419242667 /nfs/dbraw/zinc/24/26/67/419242667.db2.gz WZFZQEBPVQTBQE-UHFFFAOYSA-N 2 1 273.424 3.298 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661577549 419275406 /nfs/dbraw/zinc/27/54/06/419275406.db2.gz CEAZWPXXSNZADB-MRXNPFEDSA-N 2 1 275.440 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661577549 419275408 /nfs/dbraw/zinc/27/54/08/419275408.db2.gz CEAZWPXXSNZADB-MRXNPFEDSA-N 2 1 275.440 3.255 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CCF)C1 ZINC000661691335 419286745 /nfs/dbraw/zinc/28/67/45/419286745.db2.gz UNQSBIPBMQIHNS-OAHLLOKOSA-N 2 1 267.392 3.043 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CCF)C1 ZINC000661691335 419286746 /nfs/dbraw/zinc/28/67/46/419286746.db2.gz UNQSBIPBMQIHNS-OAHLLOKOSA-N 2 1 267.392 3.043 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)[C@@H]1CCC[NH3+] ZINC000662313053 419389307 /nfs/dbraw/zinc/38/93/07/419389307.db2.gz GNVFTFOXCGBZAK-RHSMWYFYSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657857724 419390275 /nfs/dbraw/zinc/39/02/75/419390275.db2.gz CGCJBFZRZCTZTQ-QWRGUYRKSA-N 2 1 271.355 3.010 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)[C@@H]1CCC[NH3+] ZINC000662318105 419390430 /nfs/dbraw/zinc/39/04/30/419390430.db2.gz VWRSEVHLBNWZNM-IUODEOHRSA-N 2 1 281.831 3.074 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2F)[C@@H]1CCC[NH3+] ZINC000662313687 419390560 /nfs/dbraw/zinc/39/05/60/419390560.db2.gz WDYGLCGARMVHDH-CZUORRHYSA-N 2 1 264.388 3.165 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000662313105 419390702 /nfs/dbraw/zinc/39/07/02/419390702.db2.gz JSYRHMYFWNKNLC-INMHGKMJSA-N 2 1 290.451 3.248 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H]1CCC[NH3+] ZINC000662313386 419390773 /nfs/dbraw/zinc/39/07/73/419390773.db2.gz LUNQJNSWLJOSDG-CZUORRHYSA-N 2 1 264.388 3.165 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662322770 419393095 /nfs/dbraw/zinc/39/30/95/419393095.db2.gz XMUGCKUJUXPBRX-WMZOPIPTSA-N 2 1 290.451 3.099 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000657883272 419403583 /nfs/dbraw/zinc/40/35/83/419403583.db2.gz ZZYFGLJGSODYPX-HUUCEWRRSA-N 2 1 270.486 3.126 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000657883272 419403595 /nfs/dbraw/zinc/40/35/95/419403595.db2.gz ZZYFGLJGSODYPX-HUUCEWRRSA-N 2 1 270.486 3.126 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000662243446 419369906 /nfs/dbraw/zinc/36/99/06/419369906.db2.gz BFZZCCKCNHNKLY-WMLDXEAASA-N 2 1 260.425 3.369 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C1CC(CF)(CF)C1)[NH+](C)C ZINC000657832265 419376793 /nfs/dbraw/zinc/37/67/93/419376793.db2.gz JZWXPSZDDLDNHQ-CQSZACIVSA-N 2 1 276.415 3.030 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657833122 419378409 /nfs/dbraw/zinc/37/84/09/419378409.db2.gz DVQNXYAPTUBPGR-VXGBXAGGSA-N 2 1 295.377 3.154 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662273445 419381220 /nfs/dbraw/zinc/38/12/20/419381220.db2.gz XFWVUMYVTKLHDN-RDJZCZTQSA-N 2 1 272.436 3.167 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662298821 419387554 /nfs/dbraw/zinc/38/75/54/419387554.db2.gz HLHAQXOBHLNDNC-UHFFFAOYSA-N 2 1 292.426 3.199 20 0 CGADMP Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1F ZINC000663344338 419568653 /nfs/dbraw/zinc/56/86/53/419568653.db2.gz RUFTZMRPAQKRIA-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1F ZINC000663344338 419568659 /nfs/dbraw/zinc/56/86/59/419568659.db2.gz RUFTZMRPAQKRIA-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347104 419568702 /nfs/dbraw/zinc/56/87/02/419568702.db2.gz RCHAGJSYNZDDDM-GOSISDBHSA-N 2 1 272.436 3.207 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000658019381 419495483 /nfs/dbraw/zinc/49/54/83/419495483.db2.gz QHTISFROLKNURB-QQFBHYJXSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000658019381 419495492 /nfs/dbraw/zinc/49/54/92/419495492.db2.gz QHTISFROLKNURB-QQFBHYJXSA-N 2 1 270.461 3.044 20 0 CGADMP C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467275 419619731 /nfs/dbraw/zinc/61/97/31/419619731.db2.gz ZTZGPFYXUGZXRT-JKSUJKDBSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663470173 419626438 /nfs/dbraw/zinc/62/64/38/419626438.db2.gz SQVJZWCAMZHCOQ-RDJZCZTQSA-N 2 1 272.436 3.459 20 0 CGADMP C1CC2(C1)CC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227968 419683868 /nfs/dbraw/zinc/68/38/68/419683868.db2.gz FFVTYDSBLAFMLY-GOEBONIOSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)CC[C@H]2[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227968 419683880 /nfs/dbraw/zinc/68/38/80/419683880.db2.gz FFVTYDSBLAFMLY-GOEBONIOSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227687 419687363 /nfs/dbraw/zinc/68/73/63/419687363.db2.gz BMDQFKRMWHBWPD-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227687 419687371 /nfs/dbraw/zinc/68/73/71/419687371.db2.gz BMDQFKRMWHBWPD-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000658177406 419645100 /nfs/dbraw/zinc/64/51/00/419645100.db2.gz PSARTHPVSQAEMV-AEFFLSMTSA-N 2 1 274.452 3.166 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H](C)C1 ZINC000658264134 419720801 /nfs/dbraw/zinc/72/08/01/419720801.db2.gz GXVGYCXLLKRACP-JLVJUDLZSA-N 2 1 286.410 3.274 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390748738 262250958 /nfs/dbraw/zinc/25/09/58/262250958.db2.gz RGDAKOCCSMVFBD-FUHWJXTLSA-N 2 1 272.436 3.287 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000223119091 262363962 /nfs/dbraw/zinc/36/39/62/262363962.db2.gz MBKMIBOPAOQLBH-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2Cc3ccccc3C2)CCCCC1 ZINC000035657965 270027995 /nfs/dbraw/zinc/02/79/95/270027995.db2.gz UDBCSHIXZCUMRD-UHFFFAOYSA-N 2 1 272.436 3.008 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037142135 270028988 /nfs/dbraw/zinc/02/89/88/270028988.db2.gz ZMQBFFUCHIXEPG-RGDJUOJXSA-N 2 1 292.389 3.426 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622898 270029770 /nfs/dbraw/zinc/02/97/70/270029770.db2.gz CKQJBXYTEJIOMM-KRWDZBQOSA-N 2 1 290.451 3.294 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000044535739 270036184 /nfs/dbraw/zinc/03/61/84/270036184.db2.gz LQFBCZYKSJXPJT-MRXNPFEDSA-N 2 1 268.404 3.271 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000044534549 270036267 /nfs/dbraw/zinc/03/62/67/270036267.db2.gz ARLLDTDNEKWUOM-DOTOQJQBSA-N 2 1 260.425 3.378 20 0 CGADMP C[NH+](CCCc1cccc(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000182806922 270054384 /nfs/dbraw/zinc/05/43/84/270054384.db2.gz DLXDFVMNQXGPOI-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP C[NH+](CCCc1cccc(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182806922 270054385 /nfs/dbraw/zinc/05/43/85/270054385.db2.gz DLXDFVMNQXGPOI-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCCC2)CC[N@H+]1C ZINC000184576823 270059067 /nfs/dbraw/zinc/05/90/67/270059067.db2.gz HBJSNRPQUGEZPX-ZBFHGGJFSA-N 2 1 250.430 3.339 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCCC2)CC[N@H+]1C ZINC000184576788 270059210 /nfs/dbraw/zinc/05/92/10/270059210.db2.gz HBJSNRPQUGEZPX-GDBMZVCRSA-N 2 1 250.430 3.339 20 0 CGADMP CCC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000519756581 265578034 /nfs/dbraw/zinc/57/80/34/265578034.db2.gz DDOLEZMTSPCHHR-KRWDZBQOSA-N 2 1 271.408 3.484 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000321881122 270093282 /nfs/dbraw/zinc/09/32/82/270093282.db2.gz JIBYFXIPXYYSOM-RVKKMQEKSA-N 2 1 272.436 3.285 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000521122637 270100373 /nfs/dbraw/zinc/10/03/73/270100373.db2.gz XUWIMWYHCDXGOZ-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000521122637 270100374 /nfs/dbraw/zinc/10/03/74/270100374.db2.gz XUWIMWYHCDXGOZ-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(C)(C)C ZINC000522557888 270106484 /nfs/dbraw/zinc/10/64/84/270106484.db2.gz KWFBVWKLRJVOGD-INIZCTEOSA-N 2 1 288.439 3.019 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000523297408 270108200 /nfs/dbraw/zinc/10/82/00/270108200.db2.gz RENAGIWBAAFIOH-HKBKRHGFSA-N 2 1 258.409 3.021 20 0 CGADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1CCC2 ZINC000524758778 270114674 /nfs/dbraw/zinc/11/46/74/270114674.db2.gz WXNNUAQBEBVQLX-GOSISDBHSA-N 2 1 298.474 3.483 20 0 CGADMP C[C@@H]1C[C@@H](CC[NH2+]CC2(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000526984206 270123879 /nfs/dbraw/zinc/12/38/79/270123879.db2.gz LSNPEDCPRSFVLA-NVXWUHKLSA-N 2 1 290.426 3.379 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000527859895 270140408 /nfs/dbraw/zinc/14/04/08/270140408.db2.gz GRIHJSHQCGGMNO-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527921777 270144217 /nfs/dbraw/zinc/14/42/17/270144217.db2.gz UYAINYOKHDIUSA-YJBOKZPZSA-N 2 1 274.452 3.315 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527921773 270144268 /nfs/dbraw/zinc/14/42/68/270144268.db2.gz UYAINYOKHDIUSA-MAUKXSAKSA-N 2 1 274.452 3.315 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C2CCC2)C2CCC2)CC[N@H+]1C ZINC000527922917 270144482 /nfs/dbraw/zinc/14/44/82/270144482.db2.gz CBANFAFOPUUZMD-CZUORRHYSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000527990175 270149212 /nfs/dbraw/zinc/14/92/12/270149212.db2.gz KKBAOVDVSGDLKW-PEYYIBSZSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000527990175 270149213 /nfs/dbraw/zinc/14/92/13/270149213.db2.gz KKBAOVDVSGDLKW-PEYYIBSZSA-N 2 1 278.827 3.400 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc(C)c1F ZINC000530460146 270200100 /nfs/dbraw/zinc/20/01/00/270200100.db2.gz INSZDIWQNUNRKD-ZDUSSCGKSA-N 2 1 275.371 3.069 20 0 CGADMP CC[C@@H]1CCC[NH+]1C[C@@H](C)C[N@@H+]1CCC[C@@H]1CC ZINC000533287172 270223175 /nfs/dbraw/zinc/22/31/75/270223175.db2.gz UNGKUOMOTGVBGD-PHZGNYQRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCC[N@H+]1C[C@@H](C)C[NH+]1CCC[C@@H]1CC ZINC000533287172 270223176 /nfs/dbraw/zinc/22/31/76/270223176.db2.gz UNGKUOMOTGVBGD-PHZGNYQRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCC[N@@H+]1C[C@@H](C)C[NH+]1CCC[C@@H]1CC ZINC000533287172 270223177 /nfs/dbraw/zinc/22/31/77/270223177.db2.gz UNGKUOMOTGVBGD-PHZGNYQRSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000311082246 279383848 /nfs/dbraw/zinc/38/38/48/279383848.db2.gz NVPLEWLPPZCKPX-NEPJUHHUSA-N 2 1 268.367 3.426 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000311082246 279383849 /nfs/dbraw/zinc/38/38/49/279383849.db2.gz NVPLEWLPPZCKPX-NEPJUHHUSA-N 2 1 268.367 3.426 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414813603 273606405 /nfs/dbraw/zinc/60/64/05/273606405.db2.gz MQLHOYHMGNQUBF-LSDHHAIUSA-N 2 1 299.462 3.441 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000261559544 274255525 /nfs/dbraw/zinc/25/55/25/274255525.db2.gz DRSOZXUJUWDONS-AEJSXWLSSA-N 2 1 260.303 3.092 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000130045782 274334999 /nfs/dbraw/zinc/33/49/99/274334999.db2.gz KMZCZQHIGXKCSB-RISCZKNCSA-N 2 1 286.341 3.135 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)c2ccccc21 ZINC000227535344 274960165 /nfs/dbraw/zinc/96/01/65/274960165.db2.gz LBDMDGKXCJDUEP-KZNAEPCWSA-N 2 1 264.372 3.408 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3Cc4ccccc4C3)CC[NH2+]2)cc1 ZINC000335041672 275068277 /nfs/dbraw/zinc/06/82/77/275068277.db2.gz RBTXEVHTBWEXCH-QUCCMNQESA-N 2 1 292.426 3.237 20 0 CGADMP CC(C)(C)[NH+]1CCC(Nc2cc3c(c[nH+]2)CCC3)CC1 ZINC000354532758 275512905 /nfs/dbraw/zinc/51/29/05/275512905.db2.gz CREQSYLWORQQPS-UHFFFAOYSA-N 2 1 273.424 3.245 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000020204005 276004839 /nfs/dbraw/zinc/00/48/39/276004839.db2.gz IESOMLOZCRFCBT-HNNXBMFYSA-N 2 1 262.397 3.121 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000173913769 276072739 /nfs/dbraw/zinc/07/27/39/276072739.db2.gz QPDAQDAJPOXWTJ-HNNXBMFYSA-N 2 1 278.465 3.052 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000173913769 276072740 /nfs/dbraw/zinc/07/27/40/276072740.db2.gz QPDAQDAJPOXWTJ-HNNXBMFYSA-N 2 1 278.465 3.052 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000173913769 276072742 /nfs/dbraw/zinc/07/27/42/276072742.db2.gz QPDAQDAJPOXWTJ-HNNXBMFYSA-N 2 1 278.465 3.052 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000173913769 276072743 /nfs/dbraw/zinc/07/27/43/276072743.db2.gz QPDAQDAJPOXWTJ-HNNXBMFYSA-N 2 1 278.465 3.052 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000061324670 276097666 /nfs/dbraw/zinc/09/76/66/276097666.db2.gz HIGVMUCMLSUWGM-CQSZACIVSA-N 2 1 266.454 3.447 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296164495 276151549 /nfs/dbraw/zinc/15/15/49/276151549.db2.gz XJPRRAPBNGNCAU-CQSZACIVSA-N 2 1 293.842 3.186 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC(C)C)CC2)[C@H](C)C1 ZINC000090234373 276228412 /nfs/dbraw/zinc/22/84/12/276228412.db2.gz WSCNUJISXPHGFS-CABCVRRESA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H]1CCC[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000422565377 276609857 /nfs/dbraw/zinc/60/98/57/276609857.db2.gz YVDVIHPNBMGCIS-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000360246438 277031007 /nfs/dbraw/zinc/03/10/07/277031007.db2.gz VCJNBFKOOIGFQJ-NWDGAFQWSA-N 2 1 278.362 3.039 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000339848464 277158006 /nfs/dbraw/zinc/15/80/06/277158006.db2.gz UKNBGZUSSIQVOB-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000339848464 277158007 /nfs/dbraw/zinc/15/80/07/277158007.db2.gz UKNBGZUSSIQVOB-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000339848464 277158008 /nfs/dbraw/zinc/15/80/08/277158008.db2.gz UKNBGZUSSIQVOB-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000339848464 277158009 /nfs/dbraw/zinc/15/80/09/277158009.db2.gz UKNBGZUSSIQVOB-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000513658968 277173336 /nfs/dbraw/zinc/17/33/36/277173336.db2.gz ADURBPUFVPUGIM-AKHDSKFASA-N 2 1 284.447 3.006 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000339848469 277183016 /nfs/dbraw/zinc/18/30/16/277183016.db2.gz UKNBGZUSSIQVOB-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000339848469 277183017 /nfs/dbraw/zinc/18/30/17/277183017.db2.gz UKNBGZUSSIQVOB-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000339848469 277183019 /nfs/dbraw/zinc/18/30/19/277183019.db2.gz UKNBGZUSSIQVOB-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000339848469 277183020 /nfs/dbraw/zinc/18/30/20/277183020.db2.gz UKNBGZUSSIQVOB-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP CC(C)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000232709594 277380931 /nfs/dbraw/zinc/38/09/31/277380931.db2.gz HGINADXHGUJKKC-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336731972 277394864 /nfs/dbraw/zinc/39/48/64/277394864.db2.gz RSHUUMYUUVQPJJ-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000090585615 277396866 /nfs/dbraw/zinc/39/68/66/277396866.db2.gz JSVRTEXWRVJADK-LSDHHAIUSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414880680 277702278 /nfs/dbraw/zinc/70/22/78/277702278.db2.gz KJEGHTPUIGQNGT-BPQIPLTHSA-N 2 1 288.435 3.061 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC[NH2+]1 ZINC000423405185 278028143 /nfs/dbraw/zinc/02/81/43/278028143.db2.gz ZQKKJWQBGNRQHV-YRGRVCCFSA-N 2 1 262.397 3.023 20 0 CGADMP CCC1CCC(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000394936058 288004933 /nfs/dbraw/zinc/00/49/33/288004933.db2.gz ZDRRUXASPNLIND-LMPOIIKSSA-N 2 1 252.446 3.133 20 0 CGADMP CCC(CC)(CC)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000395213601 288007480 /nfs/dbraw/zinc/00/74/80/288007480.db2.gz JMBAAPQEUPIHLY-YIONKMFJSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000511009664 278188606 /nfs/dbraw/zinc/18/86/06/278188606.db2.gz HXOALDFWMKHONM-DJIMGWMZSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000094277942 278211163 /nfs/dbraw/zinc/21/11/63/278211163.db2.gz ZAXMDDMXAPSPHB-OAHLLOKOSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC1(C)C ZINC000397571135 288024485 /nfs/dbraw/zinc/02/44/85/288024485.db2.gz DVVAAYKYNYHNFZ-CABCVRRESA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423192626 278271601 /nfs/dbraw/zinc/27/16/01/278271601.db2.gz PVXSONWMXHHZRI-YWPUVAFDSA-N 2 1 278.362 3.085 20 0 CGADMP C[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866019 288033127 /nfs/dbraw/zinc/03/31/27/288033127.db2.gz GKQZEADTAHZMRD-CRAIPNDOSA-N 2 1 298.434 3.115 20 0 CGADMP C[C@@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866019 288033128 /nfs/dbraw/zinc/03/31/28/288033128.db2.gz GKQZEADTAHZMRD-CRAIPNDOSA-N 2 1 298.434 3.115 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000423507843 288063417 /nfs/dbraw/zinc/06/34/17/288063417.db2.gz IPPCSWFPXZRADS-HOTGVXAUSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414168452 279014681 /nfs/dbraw/zinc/01/46/81/279014681.db2.gz ADZLXSNHAGKOGH-LBTNJELSSA-N 2 1 290.426 3.381 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000342689214 279040811 /nfs/dbraw/zinc/04/08/11/279040811.db2.gz NDTGDSSGSODTKT-INIZCTEOSA-N 2 1 260.425 3.417 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000514244233 279096208 /nfs/dbraw/zinc/09/62/08/279096208.db2.gz FBFDOUYUEQFFLS-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000362455209 288104942 /nfs/dbraw/zinc/10/49/42/288104942.db2.gz WSJDTJVGWLAXGS-NCOADZHNSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444595384 279134297 /nfs/dbraw/zinc/13/42/97/279134297.db2.gz JECDLKYSYYCZIL-MRXNPFEDSA-N 2 1 272.436 3.482 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444595384 279134300 /nfs/dbraw/zinc/13/43/00/279134300.db2.gz JECDLKYSYYCZIL-MRXNPFEDSA-N 2 1 272.436 3.482 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459745034 288100865 /nfs/dbraw/zinc/10/08/65/288100865.db2.gz YKBRUUKSQYBNRL-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000163340565 279254152 /nfs/dbraw/zinc/25/41/52/279254152.db2.gz HPJYFFMGGCEIGX-LLVKDONJSA-N 2 1 278.362 3.324 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528289 279320799 /nfs/dbraw/zinc/32/07/99/279320799.db2.gz YUQKIOVSWBJODW-PFJGLKMASA-N 2 1 276.468 3.371 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528289 279320803 /nfs/dbraw/zinc/32/08/03/279320803.db2.gz YUQKIOVSWBJODW-PFJGLKMASA-N 2 1 276.468 3.371 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528289 279320806 /nfs/dbraw/zinc/32/08/06/279320806.db2.gz YUQKIOVSWBJODW-PFJGLKMASA-N 2 1 276.468 3.371 20 0 CGADMP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000448073604 279346144 /nfs/dbraw/zinc/34/61/44/279346144.db2.gz DOCJSYXJGLEHRW-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCC[C@H](C)C1 ZINC000448073604 279346146 /nfs/dbraw/zinc/34/61/46/279346146.db2.gz DOCJSYXJGLEHRW-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000093515320 279367903 /nfs/dbraw/zinc/36/79/03/279367903.db2.gz PCOJJXKLPRLSKT-HLLBOEOZSA-N 2 1 288.435 3.411 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000422910816 279497689 /nfs/dbraw/zinc/49/76/89/279497689.db2.gz JKSHNJXDXSZONH-AVGNSLFASA-N 2 1 293.480 3.061 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1c[nH+]ccc1N ZINC000335058432 279511024 /nfs/dbraw/zinc/51/10/24/279511024.db2.gz ITWNBFZSHPSPDG-IINYFYTJSA-N 2 1 273.405 3.284 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423005777 279517981 /nfs/dbraw/zinc/51/79/81/279517981.db2.gz SSNKYDSBUUGISR-OSRSDYAFSA-N 2 1 258.409 3.355 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430559023 288154172 /nfs/dbraw/zinc/15/41/72/288154172.db2.gz WSKMVRHYGNNHME-BFQNTYOBSA-N 2 1 282.378 3.475 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430559023 288154174 /nfs/dbraw/zinc/15/41/74/288154174.db2.gz WSKMVRHYGNNHME-BFQNTYOBSA-N 2 1 282.378 3.475 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCC12CCCC2)[NH+]1CCCC1 ZINC000474050448 279853081 /nfs/dbraw/zinc/85/30/81/279853081.db2.gz HJIARLKZPGHXAY-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000527642005 288180176 /nfs/dbraw/zinc/18/01/76/288180176.db2.gz QVGVCXDSDFMLFP-UHFFFAOYSA-N 2 1 299.752 3.303 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000179561709 280012931 /nfs/dbraw/zinc/01/29/31/280012931.db2.gz OZYVKTMQOZFZBM-XGWLTEMNSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000179561709 280012934 /nfs/dbraw/zinc/01/29/34/280012934.db2.gz OZYVKTMQOZFZBM-XGWLTEMNSA-N 2 1 276.399 3.275 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247119912 280044938 /nfs/dbraw/zinc/04/49/38/280044938.db2.gz PQJAOBVKHIWQPU-LJISPDSOSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247119912 280044940 /nfs/dbraw/zinc/04/49/40/280044940.db2.gz PQJAOBVKHIWQPU-LJISPDSOSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163118940 280044950 /nfs/dbraw/zinc/04/49/50/280044950.db2.gz PQJAOBVKHIWQPU-APIJFGDWSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163118940 280044951 /nfs/dbraw/zinc/04/49/51/280044951.db2.gz PQJAOBVKHIWQPU-APIJFGDWSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245595077 280126241 /nfs/dbraw/zinc/12/62/41/280126241.db2.gz LKLYYSNWFMRIOG-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245595077 280126242 /nfs/dbraw/zinc/12/62/42/280126242.db2.gz LKLYYSNWFMRIOG-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245595077 280126243 /nfs/dbraw/zinc/12/62/43/280126243.db2.gz LKLYYSNWFMRIOG-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1c2ccsc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000271346876 280136192 /nfs/dbraw/zinc/13/61/92/280136192.db2.gz XWMXHXWTZRBMEP-QWHCGFSZSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2ccsc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000271346876 280136196 /nfs/dbraw/zinc/13/61/96/280136196.db2.gz XWMXHXWTZRBMEP-QWHCGFSZSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2ccsc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000271346876 280136197 /nfs/dbraw/zinc/13/61/97/280136197.db2.gz XWMXHXWTZRBMEP-QWHCGFSZSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2ccsc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000271346876 280136201 /nfs/dbraw/zinc/13/62/01/280136201.db2.gz XWMXHXWTZRBMEP-QWHCGFSZSA-N 2 1 264.438 3.152 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368752910 280270300 /nfs/dbraw/zinc/27/03/00/280270300.db2.gz FSHXGMDFJDWCPU-FHWLQOOXSA-N 2 1 286.463 3.470 20 0 CGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423342633 280274113 /nfs/dbraw/zinc/27/41/13/280274113.db2.gz ZDIKEZLKDQLFPG-LBPRGKRZSA-N 2 1 258.365 3.273 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427121815 280377011 /nfs/dbraw/zinc/37/70/11/280377011.db2.gz LVTYHBLAOYFJCJ-ZFWWWQNUSA-N 2 1 298.352 3.198 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529533519 288259202 /nfs/dbraw/zinc/25/92/02/288259202.db2.gz XMLHNMFABVYQLQ-MRXNPFEDSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529533519 288259207 /nfs/dbraw/zinc/25/92/07/288259207.db2.gz XMLHNMFABVYQLQ-MRXNPFEDSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529533519 288259209 /nfs/dbraw/zinc/25/92/09/288259209.db2.gz XMLHNMFABVYQLQ-MRXNPFEDSA-N 2 1 285.435 3.332 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)[C@@H](C)C2 ZINC000180095350 281092642 /nfs/dbraw/zinc/09/26/42/281092642.db2.gz WIORRIUXJWBBHJ-DOXZYTNZSA-N 2 1 284.447 3.302 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211656 288300381 /nfs/dbraw/zinc/30/03/81/288300381.db2.gz PHPUAFFPXXHVGU-HUUCEWRRSA-N 2 1 272.417 3.385 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000488717128 281170391 /nfs/dbraw/zinc/17/03/91/281170391.db2.gz KGUIIWNGRLEPFF-GOSISDBHSA-N 2 1 281.403 3.075 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)n1 ZINC000161610576 281252498 /nfs/dbraw/zinc/25/24/98/281252498.db2.gz UTRFMEQRMKVTFU-SFHVURJKSA-N 2 1 287.451 3.403 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)n1 ZINC000161610576 281252499 /nfs/dbraw/zinc/25/24/99/281252499.db2.gz UTRFMEQRMKVTFU-SFHVURJKSA-N 2 1 287.451 3.403 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453402709 281305508 /nfs/dbraw/zinc/30/55/08/281305508.db2.gz AKUSXNGGAAOSQA-OVYGPGRDSA-N 2 1 264.457 3.274 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C(C1CC1)C1CC1)C1CCCCC1 ZINC000532193596 288354501 /nfs/dbraw/zinc/35/45/01/288354501.db2.gz RZYBCCHLLWMYSD-INIZCTEOSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000532194062 288354548 /nfs/dbraw/zinc/35/45/48/288354548.db2.gz BKSUVOCVRKAGIP-CRAIPNDOSA-N 2 1 288.479 3.456 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1(CC)CC ZINC000532249995 288358907 /nfs/dbraw/zinc/35/89/07/288358907.db2.gz KYDQGQBYTUBRGI-WCXIOVBPSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532446231 288361090 /nfs/dbraw/zinc/36/10/90/288361090.db2.gz NFELLBJVMCAORS-XHSDSOJGSA-N 2 1 250.430 3.338 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000532446231 288361091 /nfs/dbraw/zinc/36/10/91/288361091.db2.gz NFELLBJVMCAORS-XHSDSOJGSA-N 2 1 250.430 3.338 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000533531846 288385393 /nfs/dbraw/zinc/38/53/93/288385393.db2.gz KNSDOMKRHLSFES-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000533531846 288385395 /nfs/dbraw/zinc/38/53/95/288385395.db2.gz KNSDOMKRHLSFES-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000533531846 288385398 /nfs/dbraw/zinc/38/53/98/288385398.db2.gz KNSDOMKRHLSFES-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)nc1 ZINC000548721585 289018553 /nfs/dbraw/zinc/01/85/53/289018553.db2.gz GDQXVYQKKSFJHP-QGZVFWFLSA-N 2 1 273.424 3.095 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)nc1 ZINC000548721585 289018554 /nfs/dbraw/zinc/01/85/54/289018554.db2.gz GDQXVYQKKSFJHP-QGZVFWFLSA-N 2 1 273.424 3.095 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143141 289036210 /nfs/dbraw/zinc/03/62/10/289036210.db2.gz UVLUREIKGHELFF-PDWMJMLSSA-N 2 1 284.447 3.253 20 0 CGADMP CCCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550627611 289079757 /nfs/dbraw/zinc/07/97/57/289079757.db2.gz NHLWJTKHOWPAOB-QZTJIDSGSA-N 2 1 290.451 3.228 20 0 CGADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550627611 289079760 /nfs/dbraw/zinc/07/97/60/289079760.db2.gz NHLWJTKHOWPAOB-QZTJIDSGSA-N 2 1 290.451 3.228 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)[C@H](C)C1 ZINC000550858033 289087349 /nfs/dbraw/zinc/08/73/49/289087349.db2.gz HECBRXRHVGAYBY-XSCHDIRWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000550929161 289090998 /nfs/dbraw/zinc/09/09/98/289090998.db2.gz WXZMGIKWRSQVDK-DZJNRPSUSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000550929161 289091000 /nfs/dbraw/zinc/09/10/00/289091000.db2.gz WXZMGIKWRSQVDK-DZJNRPSUSA-N 2 1 290.426 3.377 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000551788700 289132701 /nfs/dbraw/zinc/13/27/01/289132701.db2.gz FXISCGYLAQFRNL-IPELMVKDSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000551788700 289132706 /nfs/dbraw/zinc/13/27/06/289132706.db2.gz FXISCGYLAQFRNL-IPELMVKDSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000551788702 289132731 /nfs/dbraw/zinc/13/27/31/289132731.db2.gz FXISCGYLAQFRNL-MNEFBYGVSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000551788702 289132735 /nfs/dbraw/zinc/13/27/35/289132735.db2.gz FXISCGYLAQFRNL-MNEFBYGVSA-N 2 1 286.463 3.388 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000554357614 289274041 /nfs/dbraw/zinc/27/40/41/289274041.db2.gz FFLUJFITNCATLX-YIYPIFLZSA-N 2 1 292.389 3.427 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000554727495 289305868 /nfs/dbraw/zinc/30/58/68/289305868.db2.gz IGNSMXCIMLPDCK-VVLHAWIVSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556210417 289377683 /nfs/dbraw/zinc/37/76/83/289377683.db2.gz RKMMBBQIKCEAKL-FHLIZLRMSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000386515697 336175767 /nfs/dbraw/zinc/17/57/67/336175767.db2.gz MWDGAZYIOXLMDP-RDBSUJKOSA-N 2 1 254.462 3.377 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354607 294113592 /nfs/dbraw/zinc/11/35/92/294113592.db2.gz BTXURMGXTASDAT-DLBZAZTESA-N 2 1 290.838 3.403 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354607 294113594 /nfs/dbraw/zinc/11/35/94/294113594.db2.gz BTXURMGXTASDAT-DLBZAZTESA-N 2 1 290.838 3.403 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000422980055 295325673 /nfs/dbraw/zinc/32/56/73/295325673.db2.gz OPEYXKWVEQAKLH-QYZOEREBSA-N 2 1 296.414 3.235 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423454107 298992524 /nfs/dbraw/zinc/99/25/24/298992524.db2.gz YOFTZGSJKHYHDA-GDZNZVCISA-N 2 1 288.435 3.104 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420327266 302217484 /nfs/dbraw/zinc/21/74/84/302217484.db2.gz YBENZHGSOYOTDY-DOTOQJQBSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000184493002 302382617 /nfs/dbraw/zinc/38/26/17/302382617.db2.gz VUVFRKVJCWPESL-OAHLLOKOSA-N 2 1 275.440 3.163 20 0 CGADMP Clc1c[nH+]ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000176934345 302889181 /nfs/dbraw/zinc/88/91/81/302889181.db2.gz AYTIONKMUUFRAH-CYBMUJFWSA-N 2 1 279.815 3.190 20 0 CGADMP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000366002330 533699592 /nfs/dbraw/zinc/69/95/92/533699592.db2.gz UXJHHHFWHFYFFK-AEFFLSMTSA-N 2 1 287.451 3.341 20 0 CGADMP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000366002330 533699601 /nfs/dbraw/zinc/69/96/01/533699601.db2.gz UXJHHHFWHFYFFK-AEFFLSMTSA-N 2 1 287.451 3.341 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000563665864 322006171 /nfs/dbraw/zinc/00/61/71/322006171.db2.gz FGDBWIPZDMZCPM-QZWWFDLISA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000564099556 322020666 /nfs/dbraw/zinc/02/06/66/322020666.db2.gz LIWKPTMSGQGLRI-IRXDYDNUSA-N 2 1 296.499 3.028 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCC[NH+]1CCCC1 ZINC000564303050 322025651 /nfs/dbraw/zinc/02/56/51/322025651.db2.gz ANHKZHLCXRQODG-XQRVVYSFSA-N 2 1 294.389 3.396 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)c(F)c1)CCC[NH+]1CCCC1 ZINC000564303050 322025654 /nfs/dbraw/zinc/02/56/54/322025654.db2.gz ANHKZHLCXRQODG-XQRVVYSFSA-N 2 1 294.389 3.396 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000564376032 322029185 /nfs/dbraw/zinc/02/91/85/322029185.db2.gz CBECEFUXNMDGJD-YOEHRIQHSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000564822033 322044850 /nfs/dbraw/zinc/04/48/50/322044850.db2.gz BLLGZTQSFBBHLU-NSHDSACASA-N 2 1 283.485 3.399 20 0 CGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(OC)cc1 ZINC000566017233 322100902 /nfs/dbraw/zinc/10/09/02/322100902.db2.gz DRSGPXUKEPGIRX-QGZVFWFLSA-N 2 1 287.407 3.102 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000567425046 322163024 /nfs/dbraw/zinc/16/30/24/322163024.db2.gz VOPIWVDEWNTDSW-CVEARBPZSA-N 2 1 292.467 3.336 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000567425046 322163026 /nfs/dbraw/zinc/16/30/26/322163026.db2.gz VOPIWVDEWNTDSW-CVEARBPZSA-N 2 1 292.467 3.336 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000567724004 322174865 /nfs/dbraw/zinc/17/48/65/322174865.db2.gz NUHUOANEBDLDND-HUUCEWRRSA-N 2 1 258.365 3.182 20 0 CGADMP C[C@@H]1Cc2[nH+]cn(C[C@H]3CC[C@H](C[NH3+])CC3)c2C[C@H]1C ZINC000567808688 322178673 /nfs/dbraw/zinc/17/86/73/322178673.db2.gz ZEONAOTUDMYINU-KBUPBQIOSA-N 2 1 275.440 3.019 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2s1 ZINC000568161920 322195037 /nfs/dbraw/zinc/19/50/37/322195037.db2.gz LTEFEAOZGGGULT-DGCLKSJQSA-N 2 1 260.406 3.213 20 0 CGADMP Cn1c[nH+]cc1CCCN(Cc1ccccc1)CC(F)F ZINC000569351420 322244424 /nfs/dbraw/zinc/24/44/24/322244424.db2.gz COGNHBQZULGGTC-UHFFFAOYSA-N 2 1 293.361 3.120 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000569468707 322248203 /nfs/dbraw/zinc/24/82/03/322248203.db2.gz HNEHLLGGFDKJAV-ZBFHGGJFSA-N 2 1 276.424 3.033 20 0 CGADMP CCC[C@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000569469089 322248235 /nfs/dbraw/zinc/24/82/35/322248235.db2.gz MWZHWJHHDSDGHT-GOEBONIOSA-N 2 1 263.429 3.301 20 0 CGADMP COc1cccc2c1CCC[C@H]2[NH2+][C@@H](C[NH3+])CC(C)C ZINC000570035583 322263380 /nfs/dbraw/zinc/26/33/80/322263380.db2.gz KUUKDZOFSNPXNF-CZUORRHYSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000570222212 322268107 /nfs/dbraw/zinc/26/81/07/322268107.db2.gz IWDFHCWWEHFJOR-INIZCTEOSA-N 2 1 285.435 3.224 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000570222212 322268108 /nfs/dbraw/zinc/26/81/08/322268108.db2.gz IWDFHCWWEHFJOR-INIZCTEOSA-N 2 1 285.435 3.224 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000571156488 322291578 /nfs/dbraw/zinc/29/15/78/322291578.db2.gz HIHWJMBBEKFIDP-HNNXBMFYSA-N 2 1 296.842 3.451 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000571575897 322302291 /nfs/dbraw/zinc/30/22/91/322302291.db2.gz OOSHJDCSKJGPSA-GDBMZVCRSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000571575897 322302293 /nfs/dbraw/zinc/30/22/93/322302293.db2.gz OOSHJDCSKJGPSA-GDBMZVCRSA-N 2 1 264.457 3.395 20 0 CGADMP Cc1nc(C(C)C)ccc1CSC[C@H]1C[N@H+](C)CCO1 ZINC000572157281 322322245 /nfs/dbraw/zinc/32/22/45/322322245.db2.gz MHVJEEMWFOYGFH-OAHLLOKOSA-N 2 1 294.464 3.077 20 0 CGADMP Cc1nc(C(C)C)ccc1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000572157281 322322247 /nfs/dbraw/zinc/32/22/47/322322247.db2.gz MHVJEEMWFOYGFH-OAHLLOKOSA-N 2 1 294.464 3.077 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000572625719 322347096 /nfs/dbraw/zinc/34/70/96/322347096.db2.gz UGPMRDILGSWKTB-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000572625719 322347099 /nfs/dbraw/zinc/34/70/99/322347099.db2.gz UGPMRDILGSWKTB-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000572625719 322347100 /nfs/dbraw/zinc/34/71/00/322347100.db2.gz UGPMRDILGSWKTB-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000572625720 322347386 /nfs/dbraw/zinc/34/73/86/322347386.db2.gz UGPMRDILGSWKTB-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000572625720 322347388 /nfs/dbraw/zinc/34/73/88/322347388.db2.gz UGPMRDILGSWKTB-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000572625720 322347390 /nfs/dbraw/zinc/34/73/90/322347390.db2.gz UGPMRDILGSWKTB-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572644186 322347676 /nfs/dbraw/zinc/34/76/76/322347676.db2.gz WWNXWHCYWGBHAZ-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572644186 322347680 /nfs/dbraw/zinc/34/76/80/322347680.db2.gz WWNXWHCYWGBHAZ-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000572653058 322348578 /nfs/dbraw/zinc/34/85/78/322348578.db2.gz ZXRVOXCBVUMUSU-ZJPYXAASSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000572653058 322348579 /nfs/dbraw/zinc/34/85/79/322348579.db2.gz ZXRVOXCBVUMUSU-ZJPYXAASSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000573366675 322384263 /nfs/dbraw/zinc/38/42/63/322384263.db2.gz UHPICNNMBKUMPV-RDJZCZTQSA-N 2 1 290.451 3.177 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000573366675 322384266 /nfs/dbraw/zinc/38/42/66/322384266.db2.gz UHPICNNMBKUMPV-RDJZCZTQSA-N 2 1 290.451 3.177 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000573649091 322399103 /nfs/dbraw/zinc/39/91/03/322399103.db2.gz WSYYBWVEVGTWNQ-NUEKZKHPSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000573649091 322399105 /nfs/dbraw/zinc/39/91/05/322399105.db2.gz WSYYBWVEVGTWNQ-NUEKZKHPSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+]1CCCC1 ZINC000035451833 329496714 /nfs/dbraw/zinc/49/67/14/329496714.db2.gz ORUQVQFIEUXFQW-RDJZCZTQSA-N 2 1 278.440 3.311 20 0 CGADMP Cc1ccc(C)c([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)c1 ZINC000423308034 533712192 /nfs/dbraw/zinc/71/21/92/533712192.db2.gz XBISAJDUSJFTMO-IBGZPJMESA-N 2 1 280.415 3.202 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000576985084 335273681 /nfs/dbraw/zinc/27/36/81/335273681.db2.gz UAKAYKYZCWKCQZ-YLFCFFPRSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000576985084 335273683 /nfs/dbraw/zinc/27/36/83/335273683.db2.gz UAKAYKYZCWKCQZ-YLFCFFPRSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000576985084 335273684 /nfs/dbraw/zinc/27/36/84/335273684.db2.gz UAKAYKYZCWKCQZ-YLFCFFPRSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000576985084 335273686 /nfs/dbraw/zinc/27/36/86/335273686.db2.gz UAKAYKYZCWKCQZ-YLFCFFPRSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000576985084 335273687 /nfs/dbraw/zinc/27/36/87/335273687.db2.gz UAKAYKYZCWKCQZ-YLFCFFPRSA-N 2 1 264.457 3.251 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000382131514 336082543 /nfs/dbraw/zinc/08/25/43/336082543.db2.gz OUAZANULZJLQIA-ZNMIVQPWSA-N 2 1 264.438 3.416 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1Cl ZINC000382489444 336091629 /nfs/dbraw/zinc/09/16/29/336091629.db2.gz ZLOPOYGGRLXCDU-LLVKDONJSA-N 2 1 252.789 3.133 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000383737267 336117134 /nfs/dbraw/zinc/11/71/34/336117134.db2.gz GWGOYGNPCKULMU-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000385717763 336154876 /nfs/dbraw/zinc/15/48/76/336154876.db2.gz MHERPHXDSYWVPA-BMFZPTHFSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000385717763 336154877 /nfs/dbraw/zinc/15/48/77/336154877.db2.gz MHERPHXDSYWVPA-BMFZPTHFSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000386506563 336175822 /nfs/dbraw/zinc/17/58/22/336175822.db2.gz WNGFGTOVLMTKHX-STQMWFEESA-N 2 1 266.454 3.146 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000581951529 336178134 /nfs/dbraw/zinc/17/81/34/336178134.db2.gz FFVBJNGAWYUAQH-QZTJIDSGSA-N 2 1 283.419 3.279 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1sccc1OC ZINC000186073028 520623922 /nfs/dbraw/zinc/62/39/22/520623922.db2.gz JNRKETFWKWVOTJ-GFCCVEGCSA-N 2 1 270.442 3.139 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1csc(Cl)c1 ZINC000423353677 533866122 /nfs/dbraw/zinc/86/61/22/533866122.db2.gz BXFQPBJJHSSMQD-GXSJLCMTSA-N 2 1 258.818 3.194 20 0 CGADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc2ccccc21 ZINC000449245422 533873596 /nfs/dbraw/zinc/87/35/96/533873596.db2.gz ASXXDNHOIMDIDX-UHFFFAOYSA-N 2 1 296.414 3.200 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423339464 533889190 /nfs/dbraw/zinc/88/91/90/533889190.db2.gz VDISDYXZXYFOOU-LRDDRELGSA-N 2 1 298.377 3.328 20 0 CGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423329198 533914356 /nfs/dbraw/zinc/91/43/56/533914356.db2.gz OQMMKEWWCYWVKJ-KGLIPLIRSA-N 2 1 284.403 3.360 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423496832 533981719 /nfs/dbraw/zinc/98/17/19/533981719.db2.gz FMVGYCFHTJJMRB-PXAZEXFGSA-N 2 1 296.405 3.393 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423361168 533992579 /nfs/dbraw/zinc/99/25/79/533992579.db2.gz MDRNTLWJOKQVGU-KSSYENDESA-N 2 1 298.883 3.481 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2ccccc2s1 ZINC000423275915 533995748 /nfs/dbraw/zinc/99/57/48/533995748.db2.gz MHYSWTQWAOAMIH-GXFFZTMASA-N 2 1 260.406 3.289 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449177436 534155878 /nfs/dbraw/zinc/15/58/78/534155878.db2.gz VOBZJMVNZOJAAE-PBHICJAKSA-N 2 1 276.424 3.065 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000449177436 534155881 /nfs/dbraw/zinc/15/58/81/534155881.db2.gz VOBZJMVNZOJAAE-PBHICJAKSA-N 2 1 276.424 3.065 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000449094966 534258392 /nfs/dbraw/zinc/25/83/92/534258392.db2.gz VHZMJUWFQGRTPT-CABCVRRESA-N 2 1 278.440 3.311 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000449094966 534258396 /nfs/dbraw/zinc/25/83/96/534258396.db2.gz VHZMJUWFQGRTPT-CABCVRRESA-N 2 1 278.440 3.311 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449251172 534266520 /nfs/dbraw/zinc/26/65/20/534266520.db2.gz NNLBXFNUAXSPBV-AWEZNQCLSA-N 2 1 284.403 3.215 20 0 CGADMP Cc1ccc2cc([C@H](C)[NH2+]CCC[NH+](C)C)oc2c1 ZINC000425928527 534474959 /nfs/dbraw/zinc/47/49/59/534474959.db2.gz YKGDBLAGWBHSJH-ZDUSSCGKSA-N 2 1 260.381 3.344 20 0 CGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H]1CCCCO1 ZINC000161707713 521652266 /nfs/dbraw/zinc/65/22/66/521652266.db2.gz ATBZEHUNEMXMOC-KRWDZBQOSA-N 2 1 293.455 3.253 20 0 CGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H]1CCCCO1 ZINC000161707713 521652269 /nfs/dbraw/zinc/65/22/69/521652269.db2.gz ATBZEHUNEMXMOC-KRWDZBQOSA-N 2 1 293.455 3.253 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000081095685 521719190 /nfs/dbraw/zinc/71/91/90/521719190.db2.gz WLCXTFLEYIRAQJ-WBMJQRKESA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000081095685 521719192 /nfs/dbraw/zinc/71/91/92/521719192.db2.gz WLCXTFLEYIRAQJ-WBMJQRKESA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000081095685 521719193 /nfs/dbraw/zinc/71/91/93/521719193.db2.gz WLCXTFLEYIRAQJ-WBMJQRKESA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000081095685 521719194 /nfs/dbraw/zinc/71/91/94/521719194.db2.gz WLCXTFLEYIRAQJ-WBMJQRKESA-N 2 1 282.378 3.127 20 0 CGADMP [NH3+]CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423520569 534622296 /nfs/dbraw/zinc/62/22/96/534622296.db2.gz RLUCMIASPBAARB-CEXWTWQISA-N 3 1 295.430 3.201 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000157852825 522580317 /nfs/dbraw/zinc/58/03/17/522580317.db2.gz MGNKKCIKHZXIHO-RDJZCZTQSA-N 2 1 292.471 3.115 20 0 CGADMP COCc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157411503 523059789 /nfs/dbraw/zinc/05/97/89/523059789.db2.gz IHUYPTZGLDGGKL-ROUUACIJSA-N 2 1 282.387 3.067 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000049330256 524045829 /nfs/dbraw/zinc/04/58/29/524045829.db2.gz WDRJWFFRFOCXKS-ZDUSSCGKSA-N 2 1 257.381 3.105 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000163448454 524178770 /nfs/dbraw/zinc/17/87/70/524178770.db2.gz TYUNRBKWPGKCIE-VYDXJSESSA-N 2 1 260.425 3.097 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164077 524978040 /nfs/dbraw/zinc/97/80/40/524978040.db2.gz IYOMKCFUVPJFDH-ALOPSCKCSA-N 2 1 276.399 3.239 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000184418431 526212129 /nfs/dbraw/zinc/21/21/29/526212129.db2.gz HRUGODSYWXMHCY-IAGOWNOFSA-N 2 1 289.467 3.409 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000188069157 527404325 /nfs/dbraw/zinc/40/43/25/527404325.db2.gz CMOZRNQKRPBPJQ-AWEZNQCLSA-N 2 1 289.398 3.332 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449087409 527743875 /nfs/dbraw/zinc/74/38/75/527743875.db2.gz FRRKFXFCVLYUCP-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000449025400 527757067 /nfs/dbraw/zinc/75/70/67/527757067.db2.gz BNGNLXKSRKCPAM-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000449025400 527757071 /nfs/dbraw/zinc/75/70/71/527757071.db2.gz BNGNLXKSRKCPAM-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000449025400 527757073 /nfs/dbraw/zinc/75/70/73/527757073.db2.gz BNGNLXKSRKCPAM-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000449025400 527757077 /nfs/dbraw/zinc/75/70/77/527757077.db2.gz BNGNLXKSRKCPAM-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423445740 527782933 /nfs/dbraw/zinc/78/29/33/527782933.db2.gz NEVAJTIYSIHHGY-ZNMIVQPWSA-N 2 1 278.440 3.498 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411336139 527836652 /nfs/dbraw/zinc/83/66/52/527836652.db2.gz SIWJLKOMRQBODO-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411336139 527836661 /nfs/dbraw/zinc/83/66/61/527836661.db2.gz SIWJLKOMRQBODO-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411336139 527836663 /nfs/dbraw/zinc/83/66/63/527836663.db2.gz SIWJLKOMRQBODO-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411336139 527836666 /nfs/dbraw/zinc/83/66/66/527836666.db2.gz SIWJLKOMRQBODO-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(C)s2)c1 ZINC000449132975 527847161 /nfs/dbraw/zinc/84/71/61/527847161.db2.gz WPRXEMWIMMVZER-UHFFFAOYSA-N 2 1 289.448 3.193 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(C)s2)c1 ZINC000449132975 527847165 /nfs/dbraw/zinc/84/71/65/527847165.db2.gz WPRXEMWIMMVZER-UHFFFAOYSA-N 2 1 289.448 3.193 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415002471 528162466 /nfs/dbraw/zinc/16/24/66/528162466.db2.gz NLMIVNSVSTXBSS-HZPDHXFCSA-N 2 1 296.405 3.232 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CC1(C)C ZINC000417318943 528217240 /nfs/dbraw/zinc/21/72/40/528217240.db2.gz ZUKUPONULQNHQK-IKGGRYGDSA-N 2 1 296.499 3.028 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000363846329 528242056 /nfs/dbraw/zinc/24/20/56/528242056.db2.gz CERYIANYPPBAKO-ULQDDVLXSA-N 2 1 273.424 3.139 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449383661 528317060 /nfs/dbraw/zinc/31/70/60/528317060.db2.gz JAFXJGAXEVIMHI-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(OC)c1 ZINC000449326782 528450823 /nfs/dbraw/zinc/45/08/23/528450823.db2.gz ZBVJQCQPRPJDOR-UHFFFAOYSA-N 2 1 294.414 3.142 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(OC)c1 ZINC000449326782 528450829 /nfs/dbraw/zinc/45/08/29/528450829.db2.gz ZBVJQCQPRPJDOR-UHFFFAOYSA-N 2 1 294.414 3.142 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423279431 528519234 /nfs/dbraw/zinc/51/92/34/528519234.db2.gz SMFJIWFVFLWNOQ-BXUZGUMPSA-N 2 1 299.256 3.473 20 0 CGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000420321332 528586258 /nfs/dbraw/zinc/58/62/58/528586258.db2.gz RHDWLELFGKAAQL-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414181742 528606679 /nfs/dbraw/zinc/60/66/79/528606679.db2.gz MTCZNYCDZONHQU-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1OCC ZINC000423276767 528607351 /nfs/dbraw/zinc/60/73/51/528607351.db2.gz OUHXMMKPMAKDBL-ZFWWWQNUSA-N 2 1 294.439 3.118 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000423441954 528688707 /nfs/dbraw/zinc/68/87/07/528688707.db2.gz BLOPYADAFCNIFB-HIFRSBDPSA-N 2 1 264.413 3.253 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423263598 528725218 /nfs/dbraw/zinc/72/52/18/528725218.db2.gz BDMHMVWKZXVEAY-XJKSGUPXSA-N 2 1 264.413 3.109 20 0 CGADMP CCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534487 528782443 /nfs/dbraw/zinc/78/24/43/528782443.db2.gz WFRUDZJOBGNPNI-IXDOHACOSA-N 2 1 260.425 3.300 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000414818960 528818799 /nfs/dbraw/zinc/81/87/99/528818799.db2.gz XICUMMNECYCKSX-RDJZCZTQSA-N 2 1 262.441 3.362 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000423304013 528820385 /nfs/dbraw/zinc/82/03/85/528820385.db2.gz XZOPIJSBNRAEEQ-KBPBESRZSA-N 2 1 294.439 3.180 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000423288355 528950021 /nfs/dbraw/zinc/95/00/21/528950021.db2.gz RVESXDKPBXAFAT-NSHDSACASA-N 2 1 268.376 3.002 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000423298226 528955867 /nfs/dbraw/zinc/95/58/67/528955867.db2.gz NRXUMWSSOBQLJE-CABCVRRESA-N 2 1 292.423 3.016 20 0 CGADMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccccc1OC ZINC000423282913 529156658 /nfs/dbraw/zinc/15/66/58/529156658.db2.gz DKBSOBSEBILEHO-CQSZACIVSA-N 2 1 264.413 3.253 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(Br)c1 ZINC000423335958 529157582 /nfs/dbraw/zinc/15/75/82/529157582.db2.gz UKUATNGBPBNPKZ-CYBMUJFWSA-N 2 1 297.240 3.371 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000420410175 529175774 /nfs/dbraw/zinc/17/57/74/529175774.db2.gz RDZIIHWGQVYWPW-IAQYHMDHSA-N 2 1 268.351 3.005 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(Br)c1 ZINC000423281286 529206278 /nfs/dbraw/zinc/20/62/78/529206278.db2.gz UCMNMDQNEYMWBM-ZIAGYGMSSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000124119395 529298792 /nfs/dbraw/zinc/29/87/92/529298792.db2.gz VLGWYGCEIXKVPR-MRXNPFEDSA-N 2 1 263.429 3.484 20 0 CGADMP CC[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000124119395 529298795 /nfs/dbraw/zinc/29/87/95/529298795.db2.gz VLGWYGCEIXKVPR-MRXNPFEDSA-N 2 1 263.429 3.484 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417891359 529343048 /nfs/dbraw/zinc/34/30/48/529343048.db2.gz CARMWNSCZMVYGZ-PVAVHDDUSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417891359 529343051 /nfs/dbraw/zinc/34/30/51/529343051.db2.gz CARMWNSCZMVYGZ-PVAVHDDUSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)CC(F)(F)F ZINC000414251790 529369579 /nfs/dbraw/zinc/36/95/79/529369579.db2.gz IKSOOZZDBZNJQJ-IGQOVBAYSA-N 2 1 292.389 3.427 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC(F)(F)F ZINC000402586091 529369924 /nfs/dbraw/zinc/36/99/24/529369924.db2.gz WJVKKQZRSDTMMD-SDDRHHMPSA-N 2 1 266.351 3.037 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C3CC3)cc2)CC1 ZINC000459314844 535456621 /nfs/dbraw/zinc/45/66/21/535456621.db2.gz QVXGPGUDNAQEHP-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C3CC3)cc2)CC1 ZINC000459314844 535456624 /nfs/dbraw/zinc/45/66/24/535456624.db2.gz QVXGPGUDNAQEHP-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093693872 535585816 /nfs/dbraw/zinc/58/58/16/535585816.db2.gz DZPDQUJMJGLAMH-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1OC ZINC000130021041 535937021 /nfs/dbraw/zinc/93/70/21/535937021.db2.gz IMIFSGDFQHWTBD-FMKPAKJESA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1OC ZINC000130021041 535937028 /nfs/dbraw/zinc/93/70/28/535937028.db2.gz IMIFSGDFQHWTBD-FMKPAKJESA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459583588 536032492 /nfs/dbraw/zinc/03/24/92/536032492.db2.gz HFNJWGXDVXSOMP-CVEARBPZSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360108 536357287 /nfs/dbraw/zinc/35/72/87/536357287.db2.gz DMQIQMISAZTFEF-FPSMNIFISA-N 2 1 274.452 3.005 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360108 536357290 /nfs/dbraw/zinc/35/72/90/536357290.db2.gz DMQIQMISAZTFEF-FPSMNIFISA-N 2 1 274.452 3.005 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360108 536357292 /nfs/dbraw/zinc/35/72/92/536357292.db2.gz DMQIQMISAZTFEF-FPSMNIFISA-N 2 1 274.452 3.005 20 0 CGADMP COc1cccc2c(N[C@H]3CC[N@H+](C)[C@H](C)C3)cc(C)[nH+]c12 ZINC000482010320 536934549 /nfs/dbraw/zinc/93/45/49/536934549.db2.gz WUBUAOLZCNQJKO-KGLIPLIRSA-N 2 1 299.418 3.446 20 0 CGADMP COc1cccc2c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc(C)[nH+]c12 ZINC000482010320 536934553 /nfs/dbraw/zinc/93/45/53/536934553.db2.gz WUBUAOLZCNQJKO-KGLIPLIRSA-N 2 1 299.418 3.446 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000727469583 571750013 /nfs/dbraw/zinc/75/00/13/571750013.db2.gz ZUGIQYUZXIEVLX-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000306892520 572811510 /nfs/dbraw/zinc/81/15/10/572811510.db2.gz HEQQEWCNAHYJMB-QGZVFWFLSA-N 2 1 267.376 3.076 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cc(F)ccc1OC ZINC000932468537 617775115 /nfs/dbraw/zinc/77/51/15/617775115.db2.gz KDFMYSALVGQHQA-HNNXBMFYSA-N 2 1 291.370 3.080 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccnc(Cl)c1 ZINC000161086537 618277726 /nfs/dbraw/zinc/27/77/26/618277726.db2.gz ALTPHTIFQMUALN-UBHSHLNASA-N 2 1 281.831 3.258 20 0 CGADMP C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545690 618688292 /nfs/dbraw/zinc/68/82/92/618688292.db2.gz DTVCRXBQTREXPU-OCCSQVGLSA-N 2 1 297.240 3.008 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926455947 618691960 /nfs/dbraw/zinc/69/19/60/618691960.db2.gz HRHISRZDEHHMKF-ZACQAIPSSA-N 2 1 284.488 3.028 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926455947 618691963 /nfs/dbraw/zinc/69/19/63/618691963.db2.gz HRHISRZDEHHMKF-ZACQAIPSSA-N 2 1 284.488 3.028 20 0 CGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739643 618854975 /nfs/dbraw/zinc/85/49/75/618854975.db2.gz WOKNONLXOYUQMB-KZNAEPCWSA-N 2 1 296.499 3.028 20 0 CGADMP CC[C@@H](C[NH2+]CC1(CCCOC)CCC1)[NH+]1CCCC1 ZINC000892554224 618862030 /nfs/dbraw/zinc/86/20/30/618862030.db2.gz BQUXUFWSUCSVEX-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000893076753 618989815 /nfs/dbraw/zinc/98/98/15/618989815.db2.gz FWFWWCCUQDUTOR-WWTUQBGBSA-N 2 1 276.424 3.124 20 0 CGADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925574881 619070435 /nfs/dbraw/zinc/07/04/35/619070435.db2.gz COVGLCCQOYJNPV-HPBDAGMYSA-N 2 1 290.451 3.116 20 0 CGADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925678873 619127854 /nfs/dbraw/zinc/12/78/54/619127854.db2.gz HHMHKRWCRSKKKX-XJKSGUPXSA-N 2 1 288.460 3.140 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccsc1 ZINC000093678061 619209109 /nfs/dbraw/zinc/20/91/09/619209109.db2.gz LAHXBXABAPYHAR-LQDVMPOASA-N 2 1 264.438 3.101 20 0 CGADMP C[C@H]([C@H]1CCCC[C@H]1C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750802 619214631 /nfs/dbraw/zinc/21/46/31/619214631.db2.gz HRONCYLEKPEONI-UPJWGTAASA-N 2 1 293.480 3.175 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1 ZINC000925777438 619240397 /nfs/dbraw/zinc/24/03/97/619240397.db2.gz DOXJEKKUQXZRKS-JQWIXIFHSA-N 2 1 288.769 3.235 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000166020774 619242071 /nfs/dbraw/zinc/24/20/71/619242071.db2.gz HDZWJOVQQFDQMX-QGZVFWFLSA-N 2 1 258.409 3.056 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(C)s1 ZINC000925779697 619242353 /nfs/dbraw/zinc/24/23/53/619242353.db2.gz OQKXZAHTMZFKLU-JQWIXIFHSA-N 2 1 288.407 3.260 20 0 CGADMP Fc1cccc(/C=C/C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000894041261 619356456 /nfs/dbraw/zinc/35/64/56/619356456.db2.gz CZHVVIUJZRVERQ-UKINESCASA-N 2 1 288.410 3.257 20 0 CGADMP Fc1cccc(/C=C/C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000894041261 619356460 /nfs/dbraw/zinc/35/64/60/619356460.db2.gz CZHVVIUJZRVERQ-UKINESCASA-N 2 1 288.410 3.257 20 0 CGADMP Fc1cccc(/C=C\C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000894041263 619356574 /nfs/dbraw/zinc/35/65/74/619356574.db2.gz CZHVVIUJZRVERQ-XQDHMALISA-N 2 1 288.410 3.257 20 0 CGADMP Fc1cccc(/C=C\C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000894041263 619356578 /nfs/dbraw/zinc/35/65/78/619356578.db2.gz CZHVVIUJZRVERQ-XQDHMALISA-N 2 1 288.410 3.257 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924875354 619385546 /nfs/dbraw/zinc/38/55/46/619385546.db2.gz YXSSLFAPRDIUES-ZDUSSCGKSA-N 2 1 296.374 3.197 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000261921161 619475934 /nfs/dbraw/zinc/47/59/34/619475934.db2.gz BPNCDELUJKQDKX-CZUORRHYSA-N 2 1 278.827 3.129 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1ccc2c(c1)CCCO2 ZINC000894477020 619549289 /nfs/dbraw/zinc/54/92/89/619549289.db2.gz WJRCGAFYNKOMMY-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2c(c1)CCCO2 ZINC000894477020 619549295 /nfs/dbraw/zinc/54/92/95/619549295.db2.gz WJRCGAFYNKOMMY-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2c(c1)CCCO2 ZINC000894477020 619549298 /nfs/dbraw/zinc/54/92/98/619549298.db2.gz WJRCGAFYNKOMMY-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C\c2cccc(F)c2)CC1 ZINC000894564785 619577362 /nfs/dbraw/zinc/57/73/62/619577362.db2.gz AADVYXKKHVFAEJ-DANOYGIBSA-N 2 1 276.399 3.255 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C\c2cccc(F)c2)CC1 ZINC000894564785 619577363 /nfs/dbraw/zinc/57/73/63/619577363.db2.gz AADVYXKKHVFAEJ-DANOYGIBSA-N 2 1 276.399 3.255 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc2n1 ZINC000262148313 619744553 /nfs/dbraw/zinc/74/45/53/619744553.db2.gz ZRNJJOOANXZITO-UHFFFAOYSA-N 2 1 295.430 3.119 20 0 CGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ncc1F ZINC000895683630 619872844 /nfs/dbraw/zinc/87/28/44/619872844.db2.gz PPBFKJDCVOJDFK-UHFFFAOYSA-N 2 1 297.393 3.058 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ncc1F ZINC000895683630 619872846 /nfs/dbraw/zinc/87/28/46/619872846.db2.gz PPBFKJDCVOJDFK-UHFFFAOYSA-N 2 1 297.393 3.058 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000841031021 620408420 /nfs/dbraw/zinc/40/84/20/620408420.db2.gz NVQCQYLSHWBFHA-UHFFFAOYSA-N 2 1 276.380 3.049 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621693 620410570 /nfs/dbraw/zinc/41/05/70/620410570.db2.gz OGFFQOUIPQKXCB-QILLFSRXSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621693 620410572 /nfs/dbraw/zinc/41/05/72/620410572.db2.gz OGFFQOUIPQKXCB-QILLFSRXSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621693 620410573 /nfs/dbraw/zinc/41/05/73/620410573.db2.gz OGFFQOUIPQKXCB-QILLFSRXSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621693 620410575 /nfs/dbraw/zinc/41/05/75/620410575.db2.gz OGFFQOUIPQKXCB-QILLFSRXSA-N 2 1 290.426 3.030 20 0 CGADMP FC1(F)CC[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000898015589 620466831 /nfs/dbraw/zinc/46/68/31/620466831.db2.gz ZWEQLXVFUBGTCX-LBPRGKRZSA-N 2 1 272.383 3.028 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000924750588 620621768 /nfs/dbraw/zinc/62/17/68/620621768.db2.gz FZSANVOPTIDUOS-HOTGVXAUSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000924750588 620621772 /nfs/dbraw/zinc/62/17/72/620621772.db2.gz FZSANVOPTIDUOS-HOTGVXAUSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750586 620621856 /nfs/dbraw/zinc/62/18/56/620621856.db2.gz FZSANVOPTIDUOS-CVEARBPZSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750586 620621858 /nfs/dbraw/zinc/62/18/58/620621858.db2.gz FZSANVOPTIDUOS-CVEARBPZSA-N 2 1 289.467 3.113 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)cc1 ZINC000042439397 620880677 /nfs/dbraw/zinc/88/06/77/620880677.db2.gz IKJSLNWEWHOOBC-UHFFFAOYSA-N 2 1 254.805 3.291 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347763 621259512 /nfs/dbraw/zinc/25/95/12/621259512.db2.gz JXORZSMNWJTEAW-CQSZACIVSA-N 2 1 296.842 3.216 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000902752431 621425507 /nfs/dbraw/zinc/42/55/07/621425507.db2.gz JRGOHGXZBFFCSR-KSZLIROESA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902794474 621450619 /nfs/dbraw/zinc/45/06/19/621450619.db2.gz WMRBEUQWKIQIOD-NXOAAHMSSA-N 2 1 264.457 3.275 20 0 CGADMP Fc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903057979 621546959 /nfs/dbraw/zinc/54/69/59/621546959.db2.gz MJLMETIFRQTVSF-VHRNVKJDSA-N 2 1 274.383 3.073 20 0 CGADMP Fc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903057979 621546969 /nfs/dbraw/zinc/54/69/69/621546969.db2.gz MJLMETIFRQTVSF-VHRNVKJDSA-N 2 1 274.383 3.073 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903061833 621550797 /nfs/dbraw/zinc/55/07/97/621550797.db2.gz KWOBUWVOZGWKBO-WYQXTGKHSA-N 2 1 290.476 3.427 20 0 CGADMP C[C@@H](C[NH2+][C@H](c1ccccn1)C1CC1)C[NH+]1CCCCC1 ZINC000903072058 621569152 /nfs/dbraw/zinc/56/91/52/621569152.db2.gz BOVYEBFPDLXWSZ-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1C ZINC000903073819 621570218 /nfs/dbraw/zinc/57/02/18/621570218.db2.gz QNRRWZAVQUQAQO-GGUVTUNTSA-N 2 1 264.457 3.274 20 0 CGADMP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903104011 621577599 /nfs/dbraw/zinc/57/75/99/621577599.db2.gz CNEIRSODIHNVHF-VGPLMAKISA-N 2 1 276.346 3.076 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903213586 621631146 /nfs/dbraw/zinc/63/11/46/621631146.db2.gz SPEHPDHORDZGGZ-IICXIOTHSA-N 2 1 262.441 3.313 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381170 621723187 /nfs/dbraw/zinc/72/31/87/621723187.db2.gz SKIKHDFDQFPWRQ-HOCLYGCPSA-N 2 1 277.456 3.489 20 0 CGADMP CCCC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382161 621724161 /nfs/dbraw/zinc/72/41/61/621724161.db2.gz CYFQETUOHOZAJH-HOCLYGCPSA-N 2 1 263.429 3.243 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426744 621742062 /nfs/dbraw/zinc/74/20/62/621742062.db2.gz MNRSOPDABYCOLY-MNOVXSKESA-N 2 1 272.845 3.351 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2CCc2ccccc2)C1 ZINC000903431035 621744715 /nfs/dbraw/zinc/74/47/15/621744715.db2.gz DSZMCQAFIRHHEU-KSZLIROESA-N 2 1 272.436 3.211 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903424933 621751077 /nfs/dbraw/zinc/75/10/77/621751077.db2.gz MISJQDWPFSSYRA-ARLBYUKCSA-N 2 1 294.389 3.095 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497272 621766746 /nfs/dbraw/zinc/76/67/46/621766746.db2.gz SNAKROUAICROPT-YRGRVCCFSA-N 2 1 298.377 3.266 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000903716951 621795623 /nfs/dbraw/zinc/79/56/23/621795623.db2.gz VYLLFOKKBKPRAK-GJZGRUSLSA-N 2 1 260.425 3.369 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC000903713512 621798220 /nfs/dbraw/zinc/79/82/20/621798220.db2.gz UFTKCLHHMUOBNY-OAHLLOKOSA-N 2 1 260.425 3.241 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903763444 621803108 /nfs/dbraw/zinc/80/31/08/621803108.db2.gz JYUAKXWTZSBLDW-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1CF)CC[NH2+]CC2 ZINC000903764027 621803295 /nfs/dbraw/zinc/80/32/95/621803295.db2.gz OSNOFXVGILPTBG-AWEZNQCLSA-N 2 1 276.399 3.120 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CCC1 ZINC000903810307 621813564 /nfs/dbraw/zinc/81/35/64/621813564.db2.gz AKWJNWOWWMAIPJ-MRXNPFEDSA-N 2 1 276.399 3.309 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCSC(F)(F)F)CCC1 ZINC000903812360 621814047 /nfs/dbraw/zinc/81/40/47/621814047.db2.gz RXGYWBAFBNQQMR-NSHDSACASA-N 2 1 296.402 3.223 20 0 CGADMP Clc1cccc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903829402 621818421 /nfs/dbraw/zinc/81/84/21/621818421.db2.gz FYWCLMDSSJKJJP-LBPRGKRZSA-N 2 1 264.800 3.045 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCSc1ccc(Cl)cc1)C2 ZINC000903846986 621820578 /nfs/dbraw/zinc/82/05/78/621820578.db2.gz ROFQRPAYQWSEBF-YUTCNCBUSA-N 2 1 296.867 3.244 20 0 CGADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903891784 621823684 /nfs/dbraw/zinc/82/36/84/621823684.db2.gz CYGWPTGBKHEGPD-WPXLMEDKSA-N 2 1 288.410 3.275 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000903891779 621823733 /nfs/dbraw/zinc/82/37/33/621823733.db2.gz CUQAUMWRNGUOIF-HOTGVXAUSA-N 2 1 296.405 3.456 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000903891779 621823735 /nfs/dbraw/zinc/82/37/35/621823735.db2.gz CUQAUMWRNGUOIF-HOTGVXAUSA-N 2 1 296.405 3.456 20 0 CGADMP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903876218 621825223 /nfs/dbraw/zinc/82/52/23/621825223.db2.gz FSPDRRHAPSTJCD-IBGZPJMESA-N 2 1 295.430 3.008 20 0 CGADMP [NH3+][C@@H](C[NH2+]C1(c2cccc(Cl)c2)CCC1)CC(F)F ZINC000903931651 621834594 /nfs/dbraw/zinc/83/45/94/621834594.db2.gz HHCDXAMPFXDHQK-GFCCVEGCSA-N 2 1 288.769 3.291 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000903931645 621834656 /nfs/dbraw/zinc/83/46/56/621834656.db2.gz HGICCDZTLPXEEM-CHWSQXEVSA-N 2 1 260.372 3.014 20 0 CGADMP c1ccc2c(c1)CC[C@]21CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937055 621835726 /nfs/dbraw/zinc/83/57/26/621835726.db2.gz AMSPPMRRXQXEDK-WQHGSSGSSA-N 2 1 296.458 3.107 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000903946068 621839621 /nfs/dbraw/zinc/83/96/21/621839621.db2.gz IIJVFWORBOEGFW-UHFFFAOYSA-N 2 1 287.382 3.077 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973095 621843927 /nfs/dbraw/zinc/84/39/27/621843927.db2.gz OEMSLLNWGAFSCH-YESZJQIVSA-N 2 1 296.499 3.196 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)F)c(F)c1)CC(C)(C)C[NH3+] ZINC000904301370 621902078 /nfs/dbraw/zinc/90/20/78/621902078.db2.gz LJOHJAAEUZTTHC-UHFFFAOYSA-N 2 1 274.330 3.180 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2cccc(F)c2)C2CCCC2)C1 ZINC000904309964 621903419 /nfs/dbraw/zinc/90/34/19/621903419.db2.gz TZRUTBOMXPBPOL-FZNQNYSPSA-N 2 1 276.399 3.308 20 0 CGADMP C[C@@]1(C[N@@H+]2CCS[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000904322562 621906244 /nfs/dbraw/zinc/90/62/44/621906244.db2.gz ZUELYYFGXCQLKA-DLBZAZTESA-N 2 1 290.476 3.166 20 0 CGADMP C[C@@]1(C[N@H+]2CCS[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000904322562 621906247 /nfs/dbraw/zinc/90/62/47/621906247.db2.gz ZUELYYFGXCQLKA-DLBZAZTESA-N 2 1 290.476 3.166 20 0 CGADMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1C(F)F ZINC000904349978 621911149 /nfs/dbraw/zinc/91/11/49/621911149.db2.gz FRCOJEBVFTXFLY-UHFFFAOYSA-N 2 1 298.352 3.339 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904371689 621913760 /nfs/dbraw/zinc/91/37/60/621913760.db2.gz RCFQWEVGVODECF-PBHICJAKSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000904470519 621925044 /nfs/dbraw/zinc/92/50/44/621925044.db2.gz ZBVODNACKMNNPF-NWDGAFQWSA-N 2 1 264.800 3.044 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921496374 624597106 /nfs/dbraw/zinc/59/71/06/624597106.db2.gz SWGVPNUGDRBHMI-ZJPYXAASSA-N 2 1 294.483 3.046 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000922269335 625992330 /nfs/dbraw/zinc/99/23/30/625992330.db2.gz MPMKFHYQWGWOHF-YESZJQIVSA-N 2 1 296.524 3.372 20 0 CGADMP C/C(=C\c1ccccc1)CNCc1cc(N(C)C)cc[nH+]1 ZINC000922478148 626008916 /nfs/dbraw/zinc/00/89/16/626008916.db2.gz KWIMSENRSMCNSJ-RVDMUPIBSA-N 2 1 281.403 3.341 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC[NH2+]C1CC1 ZINC000923316199 626145132 /nfs/dbraw/zinc/14/51/32/626145132.db2.gz NJAKNSAPIQPOJB-GDBMZVCRSA-N 2 1 258.409 3.007 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C(F)(F)F ZINC000923425207 626152508 /nfs/dbraw/zinc/15/25/08/626152508.db2.gz JRUTTYPCBVHIGF-QWHCGFSZSA-N 2 1 290.373 3.026 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923495912 626158009 /nfs/dbraw/zinc/15/80/09/626158009.db2.gz GDNRSPVILHSDPF-GDBMZVCRSA-N 2 1 268.404 3.257 20 0 CGADMP Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923508988 626159923 /nfs/dbraw/zinc/15/99/23/626159923.db2.gz YAHPQQMAEMXDEZ-CQSZACIVSA-N 2 1 293.480 3.053 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519577 626160672 /nfs/dbraw/zinc/16/06/72/626160672.db2.gz UJRXJPSSEPDGBA-MDASCCDHSA-N 2 1 280.415 3.442 20 0 CGADMP c1ccc(OCCCC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000923539081 626162095 /nfs/dbraw/zinc/16/20/95/626162095.db2.gz NUKDVJRAAQNHRA-GOSISDBHSA-N 2 1 288.435 3.064 20 0 CGADMP c1ccc(OCCCC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000923539081 626162098 /nfs/dbraw/zinc/16/20/98/626162098.db2.gz NUKDVJRAAQNHRA-GOSISDBHSA-N 2 1 288.435 3.064 20 0 CGADMP CC(C)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000198048590 626182620 /nfs/dbraw/zinc/18/26/20/626182620.db2.gz FBCLURLNUBEREL-UHFFFAOYSA-N 2 1 292.467 3.493 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000753705679 626462763 /nfs/dbraw/zinc/46/27/63/626462763.db2.gz UPSCWQTXFJNTLG-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2C)C1 ZINC000757653103 626797706 /nfs/dbraw/zinc/79/77/06/626797706.db2.gz XQPFBKIZBQPGQG-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2C)C1 ZINC000757653103 626797709 /nfs/dbraw/zinc/79/77/09/626797709.db2.gz XQPFBKIZBQPGQG-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2C)C1 ZINC000757653103 626797713 /nfs/dbraw/zinc/79/77/13/626797713.db2.gz XQPFBKIZBQPGQG-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2C)C1 ZINC000757653103 626797717 /nfs/dbraw/zinc/79/77/17/626797717.db2.gz XQPFBKIZBQPGQG-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCCCCCC2)CCCO1 ZINC000762650062 627119147 /nfs/dbraw/zinc/11/91/47/627119147.db2.gz OWZUUXGCDMHMCL-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCCCC2)CCCO1 ZINC000762650062 627119149 /nfs/dbraw/zinc/11/91/49/627119149.db2.gz OWZUUXGCDMHMCL-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP COc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768162344 627465067 /nfs/dbraw/zinc/46/50/67/627465067.db2.gz BUJDMUFPXYTNKF-UHFFFAOYSA-N 2 1 298.430 3.389 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC3)C[C@@H]1C ZINC000769470283 627557200 /nfs/dbraw/zinc/55/72/00/627557200.db2.gz KIFAUXATVVMEFV-KSSFIOAISA-N 2 1 288.435 3.021 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC3)C[C@@H]1C ZINC000769470283 627557205 /nfs/dbraw/zinc/55/72/05/627557205.db2.gz KIFAUXATVVMEFV-KSSFIOAISA-N 2 1 288.435 3.021 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)COC3)C[C@@H]1C ZINC000769470283 627557206 /nfs/dbraw/zinc/55/72/06/627557206.db2.gz KIFAUXATVVMEFV-KSSFIOAISA-N 2 1 288.435 3.021 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)COC3)C[C@@H]1C ZINC000769470283 627557208 /nfs/dbraw/zinc/55/72/08/627557208.db2.gz KIFAUXATVVMEFV-KSSFIOAISA-N 2 1 288.435 3.021 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000769486079 627559480 /nfs/dbraw/zinc/55/94/80/627559480.db2.gz ROGBRJCOPJXJAC-LRDDRELGSA-N 2 1 264.413 3.059 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000769486079 627559482 /nfs/dbraw/zinc/55/94/82/627559482.db2.gz ROGBRJCOPJXJAC-LRDDRELGSA-N 2 1 264.413 3.059 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000769486079 627559484 /nfs/dbraw/zinc/55/94/84/627559484.db2.gz ROGBRJCOPJXJAC-LRDDRELGSA-N 2 1 264.413 3.059 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)oc2C)[C@@H](C)C1 ZINC000769486079 627559485 /nfs/dbraw/zinc/55/94/85/627559485.db2.gz ROGBRJCOPJXJAC-LRDDRELGSA-N 2 1 264.413 3.059 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000769872672 627585505 /nfs/dbraw/zinc/58/55/05/627585505.db2.gz HHVTYNCLIQKXCI-LBPRGKRZSA-N 2 1 290.411 3.181 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2ccccc2[nH]1 ZINC000775622855 628115359 /nfs/dbraw/zinc/11/53/59/628115359.db2.gz JKJCXCRHKYFWRD-CYBMUJFWSA-N 2 1 283.419 3.445 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780291313 628478631 /nfs/dbraw/zinc/47/86/31/628478631.db2.gz ANKSMEVAMPWAOF-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000780291873 628478724 /nfs/dbraw/zinc/47/87/24/628478724.db2.gz BVZNRCKXFPNDRS-PVAVHDDUSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000780291873 628478725 /nfs/dbraw/zinc/47/87/25/628478725.db2.gz BVZNRCKXFPNDRS-PVAVHDDUSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCc3ccccc32)CC[NH+]1C ZINC000780291873 628478726 /nfs/dbraw/zinc/47/87/26/628478726.db2.gz BVZNRCKXFPNDRS-PVAVHDDUSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCc3ccccc32)CC[NH+]1C ZINC000780291873 628478727 /nfs/dbraw/zinc/47/87/27/628478727.db2.gz BVZNRCKXFPNDRS-PVAVHDDUSA-N 2 1 272.436 3.131 20 0 CGADMP CC[C@H](c1ccccc1OC)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782184054 628621585 /nfs/dbraw/zinc/62/15/85/628621585.db2.gz QGIPZYDLMNQKOM-QGZVFWFLSA-N 2 1 290.451 3.420 20 0 CGADMP C[NH+]1CCC(C[N@@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000788478385 629057662 /nfs/dbraw/zinc/05/76/62/629057662.db2.gz JFBOHAVQUYHVAC-UHFFFAOYSA-N 2 1 276.399 3.132 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC=C(C)CC2)cn1 ZINC000788558819 629064878 /nfs/dbraw/zinc/06/48/78/629064878.db2.gz WBBDLFSCNHUZNW-MRXNPFEDSA-N 2 1 282.391 3.164 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790047650 629179719 /nfs/dbraw/zinc/17/97/19/629179719.db2.gz ANXNEISTSJZVQI-FUHWJXTLSA-N 2 1 286.463 3.426 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865418922 630113251 /nfs/dbraw/zinc/11/32/51/630113251.db2.gz NNPNVGMSASQSEN-UHFFFAOYSA-N 2 1 299.205 3.073 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000865456757 630132538 /nfs/dbraw/zinc/13/25/38/630132538.db2.gz RBPWHBGAUNHWTD-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP FC(F)(F)c1c[nH+]ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000865504500 630157525 /nfs/dbraw/zinc/15/75/25/630157525.db2.gz QVBFNVMOIZGBHU-JTQLQIEISA-N 2 1 296.296 3.208 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCSC(C)(C)C ZINC000801934155 630370181 /nfs/dbraw/zinc/37/01/81/630370181.db2.gz IQKWSAZPXGPFMW-UHFFFAOYSA-N 2 1 269.458 3.045 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCSC(C)(C)C ZINC000801934155 630370183 /nfs/dbraw/zinc/37/01/83/630370183.db2.gz IQKWSAZPXGPFMW-UHFFFAOYSA-N 2 1 269.458 3.045 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cn1 ZINC000802643951 630401039 /nfs/dbraw/zinc/40/10/39/630401039.db2.gz YNLVONZXPVQZNR-CYBMUJFWSA-N 2 1 286.423 3.348 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCC3(CC3)CC2)s1 ZINC000865722282 630455574 /nfs/dbraw/zinc/45/55/74/630455574.db2.gz STAGDEUBCBVDJO-UHFFFAOYSA-N 2 1 293.480 3.265 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806139725 630547430 /nfs/dbraw/zinc/54/74/30/630547430.db2.gz QWFNQRMGBDMSKT-BRWVUGGUSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000809754847 630801163 /nfs/dbraw/zinc/80/11/63/630801163.db2.gz CASKTQQGFSIUJI-MRXNPFEDSA-N 2 1 276.424 3.060 20 0 CGADMP C[C@@H](Nc1cc(C2CC2)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000810258619 630861707 /nfs/dbraw/zinc/86/17/07/630861707.db2.gz SOEMIUSSNWQRHD-GFCCVEGCSA-N 2 1 259.397 3.101 20 0 CGADMP Cc1sccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000816598524 632021568 /nfs/dbraw/zinc/02/15/68/632021568.db2.gz GFSHSUWVVMQKNX-UHFFFAOYSA-N 2 1 278.465 3.364 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000817959150 632255292 /nfs/dbraw/zinc/25/52/92/632255292.db2.gz PUFKEAOTPOSIRE-DZGCQCFKSA-N 2 1 264.413 3.109 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000817961726 632257464 /nfs/dbraw/zinc/25/74/64/632257464.db2.gz AWGCKSQNDPWZGQ-HZPDHXFCSA-N 2 1 276.424 3.180 20 0 CGADMP C[N@@H+](Cc1ncc(-c2cccs2)o1)C1CCC([NH3+])CC1 ZINC000844220860 635833426 /nfs/dbraw/zinc/83/34/26/635833426.db2.gz MYNUFGOQJTZZNB-UHFFFAOYSA-N 2 1 291.420 3.105 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc2c(ccnc2Cl)o1 ZINC000866214181 633031986 /nfs/dbraw/zinc/03/19/86/633031986.db2.gz LNWGBZKRUYFMGB-SNVBAGLBSA-N 2 1 281.787 3.084 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583654 633202924 /nfs/dbraw/zinc/20/29/24/633202924.db2.gz DECZILSMMXVGSR-KYJSFNMBSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583654 633202930 /nfs/dbraw/zinc/20/29/30/633202930.db2.gz DECZILSMMXVGSR-KYJSFNMBSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583654 633202933 /nfs/dbraw/zinc/20/29/33/633202933.db2.gz DECZILSMMXVGSR-KYJSFNMBSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705353 633234327 /nfs/dbraw/zinc/23/43/27/633234327.db2.gz YLKHUIPRBUGUMQ-YOEHRIQHSA-N 2 1 260.425 3.445 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1F ZINC000866705035 633234978 /nfs/dbraw/zinc/23/49/78/633234978.db2.gz RYGJVORQWHPXRP-KRWDZBQOSA-N 2 1 294.414 3.031 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)C[C@]2(C)CC2(Cl)Cl)C[C@H]1C ZINC000827973116 633542768 /nfs/dbraw/zinc/54/27/68/633542768.db2.gz GMIXQJUCIKGGBT-AGIUHOORSA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]2(C)CC2(Cl)Cl)C[C@H]1C ZINC000827973116 633542771 /nfs/dbraw/zinc/54/27/71/633542771.db2.gz GMIXQJUCIKGGBT-AGIUHOORSA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]2(C)CC2(Cl)Cl)C[C@H]1C ZINC000827973116 633542773 /nfs/dbraw/zinc/54/27/73/633542773.db2.gz GMIXQJUCIKGGBT-AGIUHOORSA-N 2 1 293.282 3.375 20 0 CGADMP Cc1nccn1CCC[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828435841 633614449 /nfs/dbraw/zinc/61/44/49/633614449.db2.gz OQXASRFLYCTXJZ-GFCCVEGCSA-N 2 1 290.238 3.097 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828435841 633614451 /nfs/dbraw/zinc/61/44/51/633614451.db2.gz OQXASRFLYCTXJZ-GFCCVEGCSA-N 2 1 290.238 3.097 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828435841 633614453 /nfs/dbraw/zinc/61/44/53/633614453.db2.gz OQXASRFLYCTXJZ-GFCCVEGCSA-N 2 1 290.238 3.097 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000872020726 633941386 /nfs/dbraw/zinc/94/13/86/633941386.db2.gz JRYMDBGVJYSSCU-YESZJQIVSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000872024214 633944993 /nfs/dbraw/zinc/94/49/93/633944993.db2.gz YUBXMOUPLOMEDR-KSZLIROESA-N 2 1 296.499 3.436 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872031870 633950219 /nfs/dbraw/zinc/95/02/19/633950219.db2.gz NILOFHRKQLHUBT-BMFZPTHFSA-N 2 1 293.455 3.011 20 0 CGADMP CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000872075691 633999656 /nfs/dbraw/zinc/99/96/56/633999656.db2.gz UECFBNAKZCFKCS-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1C(F)(F)F ZINC000872149106 634066662 /nfs/dbraw/zinc/06/66/62/634066662.db2.gz KHQGJAJQTYJXPA-ZFWWWQNUSA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCCCCCO)C1)C1CCCC1 ZINC000872158126 634069352 /nfs/dbraw/zinc/06/93/52/634069352.db2.gz TXPGQOMTVQQAIC-WMZOPIPTSA-N 2 1 296.499 3.159 20 0 CGADMP C[C@H]1CCCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123984972 634082330 /nfs/dbraw/zinc/08/23/30/634082330.db2.gz PRYTXUZAQYRCFS-AWEZNQCLSA-N 2 1 258.409 3.097 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2C2CC2)CC[N@H+](C2CCC2)C1 ZINC000872552210 634167043 /nfs/dbraw/zinc/16/70/43/634167043.db2.gz UGXMADHYDPWADW-AWEZNQCLSA-N 2 1 285.435 3.270 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000873223592 634291810 /nfs/dbraw/zinc/29/18/10/634291810.db2.gz OPXZRCYNFUEKEU-IBGZPJMESA-N 2 1 297.446 3.432 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc(C(C)(C)C)s1 ZINC000873231368 634292934 /nfs/dbraw/zinc/29/29/34/634292934.db2.gz HGZPRLNHBRTESY-UHFFFAOYSA-N 2 1 283.485 3.392 20 0 CGADMP C[C@H](C[N@@H+](C)CCCCCC[NH3+])c1ccc(F)cc1 ZINC000873231607 634294404 /nfs/dbraw/zinc/29/44/04/634294404.db2.gz RXFOJAYURKMSJA-CQSZACIVSA-N 2 1 266.404 3.380 20 0 CGADMP CCC(CC)(C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000873246744 634298871 /nfs/dbraw/zinc/29/88/71/634298871.db2.gz AIEMCGQIXNESQH-RYUDHWBXSA-N 2 1 280.378 3.475 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000876779850 634898152 /nfs/dbraw/zinc/89/81/52/634898152.db2.gz CPQZOJKLPVZTPN-OAHLLOKOSA-N 2 1 284.513 3.182 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000876779850 634898154 /nfs/dbraw/zinc/89/81/54/634898154.db2.gz CPQZOJKLPVZTPN-OAHLLOKOSA-N 2 1 284.513 3.182 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000876779850 634898168 /nfs/dbraw/zinc/89/81/68/634898168.db2.gz CPQZOJKLPVZTPN-OAHLLOKOSA-N 2 1 284.513 3.182 20 0 CGADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000877046299 634962236 /nfs/dbraw/zinc/96/22/36/634962236.db2.gz LJQIAQASOIPGQJ-IRXDYDNUSA-N 2 1 294.483 3.212 20 0 CGADMP CSC(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000877114844 634987951 /nfs/dbraw/zinc/98/79/51/634987951.db2.gz DWGYPPJBHVTQCR-HNNXBMFYSA-N 2 1 286.529 3.476 20 0 CGADMP Cc1ncc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000877767209 635193006 /nfs/dbraw/zinc/19/30/06/635193006.db2.gz CCWUFTXQWMDCPV-UHFFFAOYSA-N 2 1 295.496 3.251 20 0 CGADMP CC(C)(C)SCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878125051 635369050 /nfs/dbraw/zinc/36/90/50/635369050.db2.gz LZXKRRCRYUHZLL-OAHLLOKOSA-N 2 1 284.513 3.326 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878147990 635378261 /nfs/dbraw/zinc/37/82/61/635378261.db2.gz LEUXIPYLGOGCMB-OAHLLOKOSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878164418 635389972 /nfs/dbraw/zinc/38/99/72/635389972.db2.gz HDPNBPAAMHPFIW-MRXNPFEDSA-N 2 1 282.472 3.140 20 0 CGADMP C=C/C=C/CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411778 635495465 /nfs/dbraw/zinc/49/54/65/635495465.db2.gz NUDQYKBFSGXUGP-FZZYSBJUSA-N 2 1 262.441 3.361 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCCC2CC2)CC1 ZINC000878522186 635539562 /nfs/dbraw/zinc/53/95/62/635539562.db2.gz KDQCGSQPEKTPCX-UHFFFAOYSA-N 2 1 274.408 3.423 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000843051161 635550252 /nfs/dbraw/zinc/55/02/52/635550252.db2.gz FKZYLLBBUQJCJJ-GWCFXTLKSA-N 2 1 286.391 3.170 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000843051161 635550259 /nfs/dbraw/zinc/55/02/59/635550259.db2.gz FKZYLLBBUQJCJJ-GWCFXTLKSA-N 2 1 286.391 3.170 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C/c1ccc(F)cc1 ZINC000843054261 635551581 /nfs/dbraw/zinc/55/15/81/635551581.db2.gz TUHROKNHVFLOQL-MCVRNJKFSA-N 2 1 274.383 3.183 20 0 CGADMP C[N@@H+](CCOc1cccc2ccccc21)C1CCC([NH3+])CC1 ZINC000843355034 635652443 /nfs/dbraw/zinc/65/24/43/635652443.db2.gz JQWKUKZHVIVSAK-UHFFFAOYSA-N 2 1 298.430 3.420 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000843358267 635653866 /nfs/dbraw/zinc/65/38/66/635653866.db2.gz KAMCOWROPDMRKV-CQSZACIVSA-N 2 1 286.341 3.452 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000843358267 635653869 /nfs/dbraw/zinc/65/38/69/635653869.db2.gz KAMCOWROPDMRKV-CQSZACIVSA-N 2 1 286.341 3.452 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)CC(C)(C)C ZINC000879581304 635816363 /nfs/dbraw/zinc/81/63/63/635816363.db2.gz XXJSISGAEBUVHE-RRFJBIMHSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)CC(C)(C)C ZINC000879581304 635816368 /nfs/dbraw/zinc/81/63/68/635816368.db2.gz XXJSISGAEBUVHE-RRFJBIMHSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)CC(C)(C)C ZINC000879581304 635816372 /nfs/dbraw/zinc/81/63/72/635816372.db2.gz XXJSISGAEBUVHE-RRFJBIMHSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)CC(C)(C)C ZINC000879581304 635816377 /nfs/dbraw/zinc/81/63/77/635816377.db2.gz XXJSISGAEBUVHE-RRFJBIMHSA-N 2 1 252.446 3.085 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC/C=C\c3ccccc3)CC[C@H]21 ZINC000879578030 635816488 /nfs/dbraw/zinc/81/64/88/635816488.db2.gz AFRQRIWILTWBMH-PFCGEZNBSA-N 2 1 270.420 3.116 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC/C=C\c3ccccc3)CC[C@H]21 ZINC000879578030 635816492 /nfs/dbraw/zinc/81/64/92/635816492.db2.gz AFRQRIWILTWBMH-PFCGEZNBSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC/C=C\c3ccccc3)CC[C@H]21 ZINC000879578030 635816496 /nfs/dbraw/zinc/81/64/96/635816496.db2.gz AFRQRIWILTWBMH-PFCGEZNBSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)CC[C@H]21 ZINC000879578030 635816500 /nfs/dbraw/zinc/81/65/00/635816500.db2.gz AFRQRIWILTWBMH-PFCGEZNBSA-N 2 1 270.420 3.116 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CC2(CCC2)CO1 ZINC000880517445 636013466 /nfs/dbraw/zinc/01/34/66/636013466.db2.gz RFRWCCNTEZOZBQ-KRWDZBQOSA-N 2 1 294.483 3.144 20 0 CGADMP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000846106452 636144247 /nfs/dbraw/zinc/14/42/47/636144247.db2.gz ZDJAVSSYMVXOGG-XQQFMLRXSA-N 2 1 291.266 3.177 20 0 CGADMP CCC[N@@H+](CCCCCC[NH3+])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000846219851 636161978 /nfs/dbraw/zinc/16/19/78/636161978.db2.gz ZNMZITYFNVVESZ-BZUAXINKSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCCCC[NH3+] ZINC000846218989 636162211 /nfs/dbraw/zinc/16/22/11/636162211.db2.gz BFPCBEGMZKWPKH-WBVHZDCISA-N 2 1 260.425 3.384 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1N1CCCC1 ZINC000846219924 636162554 /nfs/dbraw/zinc/16/25/54/636162554.db2.gz CHGUNTBGZBJRDW-UHFFFAOYSA-N 2 1 289.467 3.238 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883185617 636571255 /nfs/dbraw/zinc/57/12/55/636571255.db2.gz AVLLVEXJSPTVEO-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CCCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848513472 636583498 /nfs/dbraw/zinc/58/34/98/636583498.db2.gz DSMVTTNWGGESBG-GOSISDBHSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000883327384 636677336 /nfs/dbraw/zinc/67/73/36/636677336.db2.gz XQLYUVUWUBSWCP-CWRNSKLLSA-N 2 1 294.826 3.008 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000883327384 636677338 /nfs/dbraw/zinc/67/73/38/636677338.db2.gz XQLYUVUWUBSWCP-CWRNSKLLSA-N 2 1 294.826 3.008 20 0 CGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996387 636709271 /nfs/dbraw/zinc/70/92/71/636709271.db2.gz RELXDJXOLOSIFF-HOTGVXAUSA-N 2 1 296.503 3.045 20 0 CGADMP CC[N@@H+](CCNC(=[NH2+])N[C@H](C)CCCC(C)C)C(C)C ZINC000849073966 636739380 /nfs/dbraw/zinc/73/93/80/636739380.db2.gz SFUDAHRTJCDPQE-OAHLLOKOSA-N 2 1 284.492 3.045 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000883429271 636751855 /nfs/dbraw/zinc/75/18/55/636751855.db2.gz QWZLSJUEJDFFEU-SOUVJXGZSA-N 2 1 286.410 3.133 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C(C)(C)O1 ZINC000883430473 636753597 /nfs/dbraw/zinc/75/35/97/636753597.db2.gz VUEBFZPTPFJHGG-OAGGEKHMSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)[C@H]1CC[NH3+] ZINC000883434851 636755693 /nfs/dbraw/zinc/75/56/93/636755693.db2.gz CKNUIOBHYSDEQI-MCIONIFRSA-N 2 1 274.399 3.261 20 0 CGADMP C1=C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000850509673 637096499 /nfs/dbraw/zinc/09/64/99/637096499.db2.gz PKXAOBBTWBUZIP-AKHDSKFASA-N 2 1 282.431 3.490 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885926561 637314158 /nfs/dbraw/zinc/31/41/58/637314158.db2.gz FSZXCYZKSBYYJO-INIZCTEOSA-N 2 1 291.439 3.053 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000886040724 637381301 /nfs/dbraw/zinc/38/13/01/637381301.db2.gz BTAYPKHDXPNBPU-KZNAEPCWSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886503956 637545003 /nfs/dbraw/zinc/54/50/03/637545003.db2.gz MCOPHLGHGYULKE-DOTOQJQBSA-N 2 1 287.451 3.171 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000886511186 637548018 /nfs/dbraw/zinc/54/80/18/637548018.db2.gz LQIVXLLBYSBMCT-VVLHAWIVSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000886511186 637548024 /nfs/dbraw/zinc/54/80/24/637548024.db2.gz LQIVXLLBYSBMCT-VVLHAWIVSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000886540862 637565429 /nfs/dbraw/zinc/56/54/29/637565429.db2.gz LXKOOVVPVFGOIB-QAPCUYQASA-N 2 1 283.419 3.436 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000886540862 637565435 /nfs/dbraw/zinc/56/54/35/637565435.db2.gz LXKOOVVPVFGOIB-QAPCUYQASA-N 2 1 283.419 3.436 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@@H]21 ZINC000220349395 637658003 /nfs/dbraw/zinc/65/80/03/637658003.db2.gz UJMLTONQUZXSLZ-VZJVUDMVSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@@H]21 ZINC000220349395 637658009 /nfs/dbraw/zinc/65/80/09/637658009.db2.gz UJMLTONQUZXSLZ-VZJVUDMVSA-N 2 1 282.790 3.038 20 0 CGADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852748704 637704884 /nfs/dbraw/zinc/70/48/84/637704884.db2.gz ZIGHAOZJRYRCPH-HKUYNNGSSA-N 2 1 284.447 3.182 20 0 CGADMP ClC(Cl)=CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000852749015 637706361 /nfs/dbraw/zinc/70/63/61/637706361.db2.gz GHZMNWIMCRTJBJ-VXGBXAGGSA-N 2 1 277.239 3.017 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000852761999 637707727 /nfs/dbraw/zinc/70/77/27/637707727.db2.gz FIBYAJNEIXDFFA-UHFFFAOYSA-N 2 1 258.409 3.127 20 0 CGADMP C[N@@H+](CCCF)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000887142712 637758622 /nfs/dbraw/zinc/75/86/22/637758622.db2.gz XKKJDEWATPXTAS-UHFFFAOYSA-N 2 1 278.415 3.464 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCCC3)CC2)oc1C ZINC000111412180 637867911 /nfs/dbraw/zinc/86/79/11/637867911.db2.gz VSMRPBOXAUCIMQ-UHFFFAOYSA-N 2 1 291.439 3.036 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924688148 638388464 /nfs/dbraw/zinc/38/84/64/638388464.db2.gz QYZYZVJRSXIUEK-ZIAGYGMSSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000924749017 638398597 /nfs/dbraw/zinc/39/85/97/638398597.db2.gz DQOJYEKFWLPWMM-FZKCQIBNSA-N 2 1 296.499 3.004 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000924749017 638398603 /nfs/dbraw/zinc/39/86/03/638398603.db2.gz DQOJYEKFWLPWMM-FZKCQIBNSA-N 2 1 296.499 3.004 20 0 CGADMP CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924956280 638430153 /nfs/dbraw/zinc/43/01/53/638430153.db2.gz XZKGUKDRZIXUER-CVEARBPZSA-N 2 1 291.483 3.129 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2(Cl)CC2)c1 ZINC000924958927 638432469 /nfs/dbraw/zinc/43/24/69/638432469.db2.gz NKTXTOBTGLLAHW-CYBMUJFWSA-N 2 1 280.843 3.388 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)C1 ZINC000925011912 638436478 /nfs/dbraw/zinc/43/64/78/638436478.db2.gz STWWRRPBLCKDRR-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP CSCC1(CC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925705051 638573683 /nfs/dbraw/zinc/57/36/83/638573683.db2.gz IXAFCIXOFDHTSN-UKRRQHHQSA-N 2 1 278.465 3.198 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1F ZINC000925723114 638582810 /nfs/dbraw/zinc/58/28/10/638582810.db2.gz RYDGBKUCKWMUCY-GOEBONIOSA-N 2 1 294.389 3.223 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2sccc2OC)CC1 ZINC000925760798 638600687 /nfs/dbraw/zinc/60/06/87/638600687.db2.gz SEGNWIGCPDXTJZ-LLVKDONJSA-N 2 1 268.426 3.021 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC23CCCCC3)CC1(C)C ZINC000858193286 638655874 /nfs/dbraw/zinc/65/58/74/638655874.db2.gz BIOAQPJZPUOPFC-KGLIPLIRSA-N 2 1 250.430 3.172 20 0 CGADMP C[NH+]1CCC([NH2+]CCCCCCc2ccccc2)CC1 ZINC000858223715 638659085 /nfs/dbraw/zinc/65/90/85/638659085.db2.gz YLKBERWSSFDAJZ-UHFFFAOYSA-N 2 1 274.452 3.473 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000858245837 638662979 /nfs/dbraw/zinc/66/29/79/638662979.db2.gz PKOVIYNBKJOOAO-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000926572885 638786769 /nfs/dbraw/zinc/78/67/69/638786769.db2.gz ICBTXTWBOKUATD-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000926645338 638794499 /nfs/dbraw/zinc/79/44/99/638794499.db2.gz OOPXDSYBMQKGOO-SFHVURJKSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000926645338 638794501 /nfs/dbraw/zinc/79/45/01/638794501.db2.gz OOPXDSYBMQKGOO-SFHVURJKSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000929504791 638929217 /nfs/dbraw/zinc/92/92/17/638929217.db2.gz AKMCBTAIWGKDJO-VQFNDLOPSA-N 2 1 296.499 3.242 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637817 638936405 /nfs/dbraw/zinc/93/64/05/638936405.db2.gz QBZCUZQXJHRVRU-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C[C@@H]21 ZINC000929689139 638941308 /nfs/dbraw/zinc/94/13/08/638941308.db2.gz VWNFEOYDUHCHJC-YHUYYLMFSA-N 2 1 298.421 3.228 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3CF)C2)C1 ZINC000930576402 639030810 /nfs/dbraw/zinc/03/08/10/639030810.db2.gz JUDDJRAXKZMAPO-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3CF)C2)C1 ZINC000930576402 639030816 /nfs/dbraw/zinc/03/08/16/639030816.db2.gz JUDDJRAXKZMAPO-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3CF)C2)C1 ZINC000930576402 639030820 /nfs/dbraw/zinc/03/08/20/639030820.db2.gz JUDDJRAXKZMAPO-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP Cc1cc(C[NH+]2CCC(C)([NH+](C)C)CC2)c2ccccc2n1 ZINC000931350882 639138549 /nfs/dbraw/zinc/13/85/49/639138549.db2.gz BKKFREKQHJTNGV-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP Nc1cc[nH+]c2c1C[N@H+](CC[C@H]1CCc3ccccc31)CC2 ZINC000931516613 639164004 /nfs/dbraw/zinc/16/40/04/639164004.db2.gz WBRLPWWXQGUSRS-OAHLLOKOSA-N 2 1 293.414 3.142 20 0 CGADMP Nc1cc[nH+]c2c1C[N@@H+](CC[C@H]1CCc3ccccc31)CC2 ZINC000931516613 639164008 /nfs/dbraw/zinc/16/40/08/639164008.db2.gz WBRLPWWXQGUSRS-OAHLLOKOSA-N 2 1 293.414 3.142 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933915673 639505877 /nfs/dbraw/zinc/50/58/77/639505877.db2.gz RQPPXJCBRSOVHS-MRXNPFEDSA-N 2 1 282.497 3.080 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000080226749 640456331 /nfs/dbraw/zinc/45/63/31/640456331.db2.gz DPXLJUNBVIOGDH-JZIBPQBNSA-N 2 1 278.465 3.202 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094365742 640794915 /nfs/dbraw/zinc/79/49/15/640794915.db2.gz NYDAPEKHKVSDKX-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP Cc1ccc2cc[nH+]c(NC3(C)CC[NH2+]CC3)c2c1 ZINC001157401348 805806800 /nfs/dbraw/zinc/80/68/00/805806800.db2.gz DYEZOBLIWBNOPC-UHFFFAOYSA-N 2 1 255.365 3.097 20 0 CGADMP CC(C)(C)c1ccc(NCC23CC[NH+](CC2)CC3)[nH+]c1 ZINC001158833469 806010665 /nfs/dbraw/zinc/01/06/65/806010665.db2.gz SEWYSKRILBYFHJ-UHFFFAOYSA-N 2 1 273.424 3.277 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001252494432 806051242 /nfs/dbraw/zinc/05/12/42/806051242.db2.gz FLCKLADLQANMLS-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001252494432 806051249 /nfs/dbraw/zinc/05/12/49/806051249.db2.gz FLCKLADLQANMLS-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001160476058 806277206 /nfs/dbraw/zinc/27/72/06/806277206.db2.gz PPMPHPFHFBEOLU-QKDCVEJESA-N 2 1 259.397 3.126 20 0 CGADMP Cc1ccc(C2([NH2+][C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254503658 806423481 /nfs/dbraw/zinc/42/34/81/806423481.db2.gz OQHDLWIRODHJLE-INIZCTEOSA-N 2 1 258.409 3.058 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001254505256 806425903 /nfs/dbraw/zinc/42/59/03/806425903.db2.gz DPEYGPWYZKICPY-LRDDRELGSA-N 2 1 280.362 3.026 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)ccc1F ZINC001254507133 806428362 /nfs/dbraw/zinc/42/83/62/806428362.db2.gz HJGMMYCYTDCPKV-HIFRSBDPSA-N 2 1 264.388 3.269 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccccc3)CCC2)CC1 ZINC001254507821 806428638 /nfs/dbraw/zinc/42/86/38/806428638.db2.gz NFMWUGSWCGFRJE-MRXNPFEDSA-N 2 1 258.409 3.140 20 0 CGADMP COc1ccccc1C1([NH2+][C@@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254510697 806430495 /nfs/dbraw/zinc/43/04/95/806430495.db2.gz PJZYLDLSBSXCKE-OAHLLOKOSA-N 2 1 288.435 3.148 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517323 806436463 /nfs/dbraw/zinc/43/64/63/806436463.db2.gz ULIRWUOZQAJVTD-IRXDYDNUSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517323 806436466 /nfs/dbraw/zinc/43/64/66/806436466.db2.gz ULIRWUOZQAJVTD-IRXDYDNUSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517323 806436469 /nfs/dbraw/zinc/43/64/69/806436469.db2.gz ULIRWUOZQAJVTD-IRXDYDNUSA-N 2 1 276.399 3.447 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2c2cccs2)CC1 ZINC001254523252 806438193 /nfs/dbraw/zinc/43/81/93/806438193.db2.gz MTCHIHHDTRFZEY-ZIAGYGMSSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001254523252 806438194 /nfs/dbraw/zinc/43/81/94/806438194.db2.gz MTCHIHHDTRFZEY-ZIAGYGMSSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001254523252 806438195 /nfs/dbraw/zinc/43/81/95/806438195.db2.gz MTCHIHHDTRFZEY-ZIAGYGMSSA-N 2 1 264.438 3.369 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001254526137 806442182 /nfs/dbraw/zinc/44/21/82/806442182.db2.gz OJZKJGHRCYDGOY-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001254526137 806442188 /nfs/dbraw/zinc/44/21/88/806442188.db2.gz OJZKJGHRCYDGOY-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001254526137 806442194 /nfs/dbraw/zinc/44/21/94/806442194.db2.gz OJZKJGHRCYDGOY-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254528851 806442910 /nfs/dbraw/zinc/44/29/10/806442910.db2.gz IQHFFUXEIABFHR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254528851 806442915 /nfs/dbraw/zinc/44/29/15/806442915.db2.gz IQHFFUXEIABFHR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254528851 806442919 /nfs/dbraw/zinc/44/29/19/806442919.db2.gz IQHFFUXEIABFHR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001254528040 806443502 /nfs/dbraw/zinc/44/35/02/806443502.db2.gz BUKJSTHWEFJAAQ-LSDHHAIUSA-N 2 1 268.420 3.075 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001254528040 806443508 /nfs/dbraw/zinc/44/35/08/806443508.db2.gz BUKJSTHWEFJAAQ-LSDHHAIUSA-N 2 1 268.420 3.075 20 0 CGADMP CC(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123997 806549352 /nfs/dbraw/zinc/54/93/52/806549352.db2.gz YVHLLXRDLGDPCC-BJWYYQGGSA-N 2 1 258.409 3.180 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(C2CC2)c[nH+]1 ZINC001162468542 806592092 /nfs/dbraw/zinc/59/20/92/806592092.db2.gz ZPSSRTVBMKCYJK-OCCSQVGLSA-N 2 1 259.397 3.007 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@@H]2CCSC2)CC1 ZINC001255280443 806593060 /nfs/dbraw/zinc/59/30/60/806593060.db2.gz YCKKZBUNJMEQQX-BPLDGKMQSA-N 2 1 268.470 3.006 20 0 CGADMP FC1(F)CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381060 806630741 /nfs/dbraw/zinc/63/07/41/806630741.db2.gz OXXPRJPZUXRLJS-HNNXBMFYSA-N 2 1 294.389 3.428 20 0 CGADMP C[N@H+]1CCC[C@@H](n2cc(C[NH3+])c3cc(Cl)ccc32)C1 ZINC001255471823 806647458 /nfs/dbraw/zinc/64/74/58/806647458.db2.gz HPOTUYLCORZUHK-CYBMUJFWSA-N 2 1 277.799 3.020 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)[nH+]c2c1C ZINC001162800684 806668345 /nfs/dbraw/zinc/66/83/45/806668345.db2.gz COQFJCCLVGLHPM-HYVNUMGLSA-N 2 1 293.414 3.346 20 0 CGADMP c1cc2c(cc1CNc1ccc(C3CC3)c[nH+]1)CC[NH2+]C2 ZINC001162810429 806668716 /nfs/dbraw/zinc/66/87/16/806668716.db2.gz UBRCKPZPWKBAPC-UHFFFAOYSA-N 2 1 279.387 3.217 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCO1 ZINC001255542889 806669652 /nfs/dbraw/zinc/66/96/52/806669652.db2.gz NFSAWAYFFDZGIH-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H](CC(F)(F)F)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001255632680 806684665 /nfs/dbraw/zinc/68/46/65/806684665.db2.gz CLXUBWPASNLRTC-FRRDWIJNSA-N 2 1 280.378 3.285 20 0 CGADMP C[C@@H](CC(F)(F)F)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255646311 806692655 /nfs/dbraw/zinc/69/26/55/806692655.db2.gz PLDQJXQUTMBHHE-NWDGAFQWSA-N 2 1 266.351 3.168 20 0 CGADMP CC[NH+](CC)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000052049474 798897199 /nfs/dbraw/zinc/89/71/99/798897199.db2.gz SLTLJRJRPNEYFG-UHFFFAOYSA-N 2 1 260.425 3.301 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817627 798945844 /nfs/dbraw/zinc/94/58/44/798945844.db2.gz TYGYDEIORXQADW-XJKSGUPXSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001255680202 806703943 /nfs/dbraw/zinc/70/39/43/806703943.db2.gz JRMGCGPJHVAAMA-WDFJATGCSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001255680202 806703947 /nfs/dbraw/zinc/70/39/47/806703947.db2.gz JRMGCGPJHVAAMA-WDFJATGCSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC001255680202 806703950 /nfs/dbraw/zinc/70/39/50/806703950.db2.gz JRMGCGPJHVAAMA-WDFJATGCSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC001255680202 806703954 /nfs/dbraw/zinc/70/39/54/806703954.db2.gz JRMGCGPJHVAAMA-WDFJATGCSA-N 2 1 250.430 3.122 20 0 CGADMP CC[N@H+](Cc1ccc(C)c(C)c1)CC1CC[NH2+]CC1 ZINC000094011139 798966925 /nfs/dbraw/zinc/96/69/25/798966925.db2.gz GDGJWYQVKNZUND-UHFFFAOYSA-N 2 1 260.425 3.125 20 0 CGADMP CC[NH+](CC)C1CC[NH+](CCc2ccccc2)CC1 ZINC000108869952 798982632 /nfs/dbraw/zinc/98/26/32/798982632.db2.gz XHPMDLHFQQAKSN-UHFFFAOYSA-N 2 1 260.425 3.035 20 0 CGADMP COc1ccc2[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)cc(C)c2c1 ZINC000146294581 799048570 /nfs/dbraw/zinc/04/85/70/799048570.db2.gz BCHUCHDNBMTTSS-OLZOCXBDSA-N 2 1 285.391 3.234 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000300412939 799204431 /nfs/dbraw/zinc/20/44/31/799204431.db2.gz XAQFVCDURBBWNU-IOASZLSFSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000300412939 799204435 /nfs/dbraw/zinc/20/44/35/799204435.db2.gz XAQFVCDURBBWNU-IOASZLSFSA-N 2 1 280.843 3.201 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000307492077 799215405 /nfs/dbraw/zinc/21/54/05/799215405.db2.gz GUNNYCSKZDAJPD-MAUKXSAKSA-N 2 1 281.403 3.322 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](CNc3cc[nH+]cc3)C2)cc1 ZINC000309825611 799220669 /nfs/dbraw/zinc/22/06/69/799220669.db2.gz QRDWSVIZMGOJAW-QGZVFWFLSA-N 2 1 281.403 3.406 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000312102522 799226557 /nfs/dbraw/zinc/22/65/57/799226557.db2.gz IIPKLKZFPCNKQX-ZDUSSCGKSA-N 2 1 274.433 3.462 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000379630736 799352161 /nfs/dbraw/zinc/35/21/61/799352161.db2.gz QHPXXWKQOSSOEX-MRXNPFEDSA-N 2 1 283.419 3.082 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000379630736 799352167 /nfs/dbraw/zinc/35/21/67/799352167.db2.gz QHPXXWKQOSSOEX-MRXNPFEDSA-N 2 1 283.419 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CCCCC3)C[C@H](C)[NH2+]1 ZINC000381112914 799372114 /nfs/dbraw/zinc/37/21/14/799372114.db2.gz VAYBCRLSJILUGI-QDMKHBRRSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)[NH+]1CCCC1 ZINC000381939929 799390293 /nfs/dbraw/zinc/39/02/93/799390293.db2.gz APVAPIKDXKJWDD-BHUNQDJPSA-N 2 1 264.457 3.275 20 0 CGADMP CC1(C[N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000383534055 799404719 /nfs/dbraw/zinc/40/47/19/799404719.db2.gz BPSODHMFLRSATJ-UHFFFAOYSA-N 2 1 258.409 3.041 20 0 CGADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000385438239 799426465 /nfs/dbraw/zinc/42/64/65/799426465.db2.gz PICPGVSBHFDOGW-DOTOQJQBSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]([N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(C)CC1 ZINC000385499036 799426543 /nfs/dbraw/zinc/42/65/43/799426543.db2.gz ILQMWRANTPHCKN-FFHGMXDLSA-N 2 1 250.430 3.028 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000386816362 799441059 /nfs/dbraw/zinc/44/10/59/799441059.db2.gz QOAUWDZUKUQQLV-JWHDQAAXSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000386816362 799441061 /nfs/dbraw/zinc/44/10/61/799441061.db2.gz QOAUWDZUKUQQLV-JWHDQAAXSA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000388241482 799451883 /nfs/dbraw/zinc/45/18/83/799451883.db2.gz DVJGDZAXXVDNEO-KBPBESRZSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000388241482 799451888 /nfs/dbraw/zinc/45/18/88/799451888.db2.gz DVJGDZAXXVDNEO-KBPBESRZSA-N 2 1 266.404 3.075 20 0 CGADMP CCC[C@H](C)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687953913 799741661 /nfs/dbraw/zinc/74/16/61/799741661.db2.gz NQVKBOCOZBUEBO-NSHDSACASA-N 2 1 252.427 3.014 20 0 CGADMP CCC[C@H](C)CC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001257465300 807170188 /nfs/dbraw/zinc/17/01/88/807170188.db2.gz ZHJRNQSNPAHFEC-STQMWFEESA-N 2 1 251.418 3.470 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCC[NH2+]C1 ZINC000697000306 799843164 /nfs/dbraw/zinc/84/31/64/799843164.db2.gz RVJGCRDUPNEWAF-CQSZACIVSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccc(C(F)F)cc1)[NH+](C)C ZINC000697885823 799850019 /nfs/dbraw/zinc/85/00/19/799850019.db2.gz BBTUGDXKBCDFJE-NSHDSACASA-N 2 1 256.340 3.054 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)C2CCCCCC2)CC1 ZINC001255885084 806783219 /nfs/dbraw/zinc/78/32/19/806783219.db2.gz LAPGWSFDESUNRV-JCNLHEQBSA-N 2 1 294.483 3.460 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC001255941009 806789727 /nfs/dbraw/zinc/78/97/27/806789727.db2.gz LJKYDJIWLOQNQA-GOEBONIOSA-N 2 1 276.424 3.220 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC001255944351 806791378 /nfs/dbraw/zinc/79/13/78/806791378.db2.gz UTNOTPVPHCTOPZ-OAHLLOKOSA-N 2 1 260.425 3.386 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708849733 799997063 /nfs/dbraw/zinc/99/70/63/799997063.db2.gz LUYXEEMPUDIGMW-VNQPRFMTSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccccn1)C(C)C ZINC001255947924 806794306 /nfs/dbraw/zinc/79/43/06/806794306.db2.gz YZEKUJJFWZJHOT-NVXWUHKLSA-N 2 1 277.456 3.489 20 0 CGADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000709641772 800010179 /nfs/dbraw/zinc/01/01/79/800010179.db2.gz CHFCRULZDINVRT-CYBMUJFWSA-N 2 1 278.362 3.041 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CC[C@@H]1CC1(Cl)Cl ZINC000710798664 800041121 /nfs/dbraw/zinc/04/11/21/800041121.db2.gz LENNOYANODNYOD-LLVKDONJSA-N 2 1 267.244 3.021 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001255957673 806800367 /nfs/dbraw/zinc/80/03/67/806800367.db2.gz UJQOOCQULRGRMT-CYBMUJFWSA-N 2 1 276.415 3.474 20 0 CGADMP Cc1ccc(C(C)(C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256068469 806809539 /nfs/dbraw/zinc/80/95/39/806809539.db2.gz DQBJBTANPKQDMQ-UHFFFAOYSA-N 2 1 272.436 3.447 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(N(C)C)c1 ZINC001256073838 806812653 /nfs/dbraw/zinc/81/26/53/806812653.db2.gz FFBOOKZOTWMWSP-AWEZNQCLSA-N 2 1 287.451 3.030 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720873151 800269892 /nfs/dbraw/zinc/26/98/92/800269892.db2.gz SNFBNGWNXDWWPF-BFHYXJOUSA-N 2 1 286.341 3.207 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H](C)C1 ZINC000721501285 800290566 /nfs/dbraw/zinc/29/05/66/800290566.db2.gz GQLDOCLWUUBRHZ-JFTQMJAMSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H](C)C1 ZINC000721501285 800290568 /nfs/dbraw/zinc/29/05/68/800290568.db2.gz GQLDOCLWUUBRHZ-JFTQMJAMSA-N 2 1 272.436 3.197 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000723685866 800337004 /nfs/dbraw/zinc/33/70/04/800337004.db2.gz LCFNAAGTPOFNRE-LLVKDONJSA-N 2 1 293.461 3.042 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723701383 800338673 /nfs/dbraw/zinc/33/86/73/800338673.db2.gz AADGGSBLZGLLJO-VXGBXAGGSA-N 2 1 284.350 3.020 20 0 CGADMP CN1CCC([N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001256207654 806849102 /nfs/dbraw/zinc/84/91/02/806849102.db2.gz RCBZJSCMEWWGGO-MRXNPFEDSA-N 2 1 262.372 3.057 20 0 CGADMP C[NH+]1CCC(N2CCC[C@@H]2c2ccccc2F)CC1 ZINC001256207654 806849109 /nfs/dbraw/zinc/84/91/09/806849109.db2.gz RCBZJSCMEWWGGO-MRXNPFEDSA-N 2 1 262.372 3.057 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932383897 800661366 /nfs/dbraw/zinc/66/13/66/800661366.db2.gz OELDOEXATXXBKG-KRWDZBQOSA-N 2 1 284.407 3.108 20 0 CGADMP CN1CCC([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001256207099 806850761 /nfs/dbraw/zinc/85/07/61/806850761.db2.gz CBIGWYAJTGSLJE-KRWDZBQOSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001256207099 806850767 /nfs/dbraw/zinc/85/07/67/806850767.db2.gz CBIGWYAJTGSLJE-KRWDZBQOSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001256207099 806850773 /nfs/dbraw/zinc/85/07/73/806850773.db2.gz CBIGWYAJTGSLJE-KRWDZBQOSA-N 2 1 272.436 3.035 20 0 CGADMP C[C@@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)[C@H](C)C1 ZINC001256573764 806918753 /nfs/dbraw/zinc/91/87/53/806918753.db2.gz NNERJBVFUOXNEC-ZIAGYGMSSA-N 2 1 252.446 3.370 20 0 CGADMP COc1ccc2c[nH+]c(N3CCC[C@@](C)(C[NH3+])CC3)cc2c1 ZINC001164249070 806922840 /nfs/dbraw/zinc/92/28/40/806922840.db2.gz URZLBLNPDROEFE-GOSISDBHSA-N 2 1 299.418 3.199 20 0 CGADMP c1ccc(C[NH+]2CCC([NH+]3C[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001256603855 806923287 /nfs/dbraw/zinc/92/32/87/806923287.db2.gz JKOWFGCWAGPBFR-QZTJIDSGSA-N 2 1 284.447 3.383 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256617447 806927089 /nfs/dbraw/zinc/92/70/89/806927089.db2.gz PGJGATIPFDRWCC-ONYGOOLBSA-N 2 1 299.462 3.220 20 0 CGADMP COc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001256618808 806927240 /nfs/dbraw/zinc/92/72/40/806927240.db2.gz OCJXXHGNHQOSCB-ALOPSCKCSA-N 2 1 288.435 3.027 20 0 CGADMP Cc1cncc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001256621059 806928608 /nfs/dbraw/zinc/92/86/08/806928608.db2.gz JJCYABJKAJCUDD-FBVQUNGASA-N 2 1 285.435 3.056 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001116293967 802325602 /nfs/dbraw/zinc/32/56/02/802325602.db2.gz NLWHZIGTAXBARC-JCGIZDLHSA-N 2 1 290.451 3.089 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001116511733 802367916 /nfs/dbraw/zinc/36/79/16/802367916.db2.gz KQCWDLWNCFAGII-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cc(F)ccc1F ZINC001118057278 802521329 /nfs/dbraw/zinc/52/13/29/802521329.db2.gz CBTHLBURJYURFL-QMTHXVAHSA-N 2 1 256.340 3.004 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001118197813 802536254 /nfs/dbraw/zinc/53/62/54/802536254.db2.gz CTUFMYYMIJKUTF-IYOUNJFTSA-N 2 1 288.410 3.135 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001118197810 802536743 /nfs/dbraw/zinc/53/67/43/802536743.db2.gz CTUFMYYMIJKUTF-DEYYWGMASA-N 2 1 288.410 3.135 20 0 CGADMP C[C@@H](CSc1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001120057423 802731192 /nfs/dbraw/zinc/73/11/92/802731192.db2.gz FNAAXMAYCAHJQO-HNNXBMFYSA-N 2 1 292.492 3.441 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001120072542 802732864 /nfs/dbraw/zinc/73/28/64/802732864.db2.gz WSJWPJBCWSNJCT-ZMSDIMECSA-N 2 1 290.426 3.296 20 0 CGADMP Cc1cc[nH+]c(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001120833514 802785320 /nfs/dbraw/zinc/78/53/20/802785320.db2.gz PALJZMXIZGDQJX-HUUCEWRRSA-N 2 1 273.424 3.455 20 0 CGADMP Cc1cc[nH+]c(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001120833514 802785325 /nfs/dbraw/zinc/78/53/25/802785325.db2.gz PALJZMXIZGDQJX-HUUCEWRRSA-N 2 1 273.424 3.455 20 0 CGADMP FC1(F)CC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895759 807000404 /nfs/dbraw/zinc/00/04/04/807000404.db2.gz YDLPQCBHJFNNSK-CYBMUJFWSA-N 2 1 272.383 3.028 20 0 CGADMP FC1(F)CC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895759 807000412 /nfs/dbraw/zinc/00/04/12/807000412.db2.gz YDLPQCBHJFNNSK-CYBMUJFWSA-N 2 1 272.383 3.028 20 0 CGADMP c1csc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256896633 807000801 /nfs/dbraw/zinc/00/08/01/807000801.db2.gz KURUSMPGAJFBCP-CQSZACIVSA-N 2 1 278.465 3.287 20 0 CGADMP c1csc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256896633 807000802 /nfs/dbraw/zinc/00/08/02/807000802.db2.gz KURUSMPGAJFBCP-CQSZACIVSA-N 2 1 278.465 3.287 20 0 CGADMP [NH3+]CCc1cccc(N[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256908740 807007007 /nfs/dbraw/zinc/00/70/07/807007007.db2.gz PYMORCDRSXIHOX-QGZVFWFLSA-N 2 1 287.451 3.007 20 0 CGADMP Fc1cc(C2CC2)ccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001244125976 803199201 /nfs/dbraw/zinc/19/92/01/803199201.db2.gz XTIXEOGFCRCLTM-UHFFFAOYSA-N 2 1 297.377 3.175 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001206809385 813443293 /nfs/dbraw/zinc/44/32/93/813443293.db2.gz LNZQUAMOVURCJE-HOCLYGCPSA-N 2 1 290.451 3.423 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206809389 813443394 /nfs/dbraw/zinc/44/33/94/813443394.db2.gz LOYKOFNFAYSEAS-GJZGRUSLSA-N 2 1 260.425 3.117 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(F)c12 ZINC001136987227 803668081 /nfs/dbraw/zinc/66/80/81/803668081.db2.gz OSWRTVLVAFKDOW-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP Cc1csc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC001137158420 803691612 /nfs/dbraw/zinc/69/16/12/803691612.db2.gz ROXLFTGTUQWILQ-AWEZNQCLSA-N 2 1 274.389 3.105 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)[nH]1 ZINC001137327793 803715738 /nfs/dbraw/zinc/71/57/38/803715738.db2.gz GNENKPUHNZGWQN-UHFFFAOYSA-N 2 1 277.456 3.184 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)[nH]1 ZINC001137332106 803716693 /nfs/dbraw/zinc/71/66/93/803716693.db2.gz GWWCDSGARLNFNE-UHFFFAOYSA-N 2 1 294.402 3.449 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C2CCCC2)C2CCN(C)CC2)[nH]1 ZINC001137333745 803717992 /nfs/dbraw/zinc/71/79/92/803717992.db2.gz QYHLIRJPRYVIEF-UHFFFAOYSA-N 2 1 289.467 3.470 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1F)C1CCN(C)CC1 ZINC001137660468 803753427 /nfs/dbraw/zinc/75/34/27/803753427.db2.gz LUOMPBJSWVLPPF-UHFFFAOYSA-N 2 1 284.806 3.395 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1F)C1CCN(C)CC1 ZINC001137660468 803753433 /nfs/dbraw/zinc/75/34/33/803753433.db2.gz LUOMPBJSWVLPPF-UHFFFAOYSA-N 2 1 284.806 3.395 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3[nH]c4ccccc4c3C)C[C@H]2C1 ZINC001138401651 803920183 /nfs/dbraw/zinc/92/01/83/803920183.db2.gz SLUAHCKRXMMABN-HZPDHXFCSA-N 2 1 297.446 3.250 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2cc(C)ccc2[nH]1 ZINC001138418380 803924703 /nfs/dbraw/zinc/92/47/03/803924703.db2.gz RCYILHYVLZMZSC-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2cc(C)ccc2[nH]1 ZINC001138418380 803924706 /nfs/dbraw/zinc/92/47/06/803924706.db2.gz RCYILHYVLZMZSC-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP CCO[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138547515 803963769 /nfs/dbraw/zinc/96/37/69/803963769.db2.gz NTGISHSBTIRNJX-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138547515 803963776 /nfs/dbraw/zinc/96/37/76/803963776.db2.gz NTGISHSBTIRNJX-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP CCCCc1ccc(C[N@H+](C)CCC[NH+](C)C)s1 ZINC001138753745 804029850 /nfs/dbraw/zinc/02/98/50/804029850.db2.gz ASZJCPKASQFYMI-UHFFFAOYSA-N 2 1 268.470 3.474 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)CCC[NH+](C)C)s1 ZINC001138753745 804029857 /nfs/dbraw/zinc/02/98/57/804029857.db2.gz ASZJCPKASQFYMI-UHFFFAOYSA-N 2 1 268.470 3.474 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)C[C@H](CC)[NH2+]1 ZINC001246073306 804112459 /nfs/dbraw/zinc/11/24/59/804112459.db2.gz XCJWXZSPIUCFDW-FICVDOATSA-N 2 1 264.388 3.225 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078187 804116341 /nfs/dbraw/zinc/11/63/41/804116341.db2.gz BPWKRCLXIMYNNI-WDMOLILDSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246089117 804122594 /nfs/dbraw/zinc/12/25/94/804122594.db2.gz BTPMWTFOMPINRJ-OCCSQVGLSA-N 2 1 266.816 3.003 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246115268 804146574 /nfs/dbraw/zinc/14/65/74/804146574.db2.gz RIUKJGPMCOEARF-CABCVRRESA-N 2 1 256.409 3.193 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246098207 804129612 /nfs/dbraw/zinc/12/96/12/804129612.db2.gz PZGMFAIAMORMBZ-XUJVJEKNSA-N 2 1 298.883 3.408 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246098005 804129781 /nfs/dbraw/zinc/12/97/81/804129781.db2.gz QVDXAFHNDZEPTJ-XJKSGUPXSA-N 2 1 296.480 3.412 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246099726 804132377 /nfs/dbraw/zinc/13/23/77/804132377.db2.gz YNSKCYOGROJVCY-QMTHXVAHSA-N 2 1 287.234 3.266 20 0 CGADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246113885 804145180 /nfs/dbraw/zinc/14/51/80/804145180.db2.gz ZYTYAWAUXNCNGH-QWHCGFSZSA-N 2 1 299.245 3.192 20 0 CGADMP Cn1ccc2c1cccc2C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001139161321 804146950 /nfs/dbraw/zinc/14/69/50/804146950.db2.gz XXOZJGCOURXXJR-UHFFFAOYSA-N 2 1 285.435 3.096 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160483 804177578 /nfs/dbraw/zinc/17/75/78/804177578.db2.gz NBMHWAKAVDZNOB-XWTMOSNGSA-N 2 1 296.499 3.482 20 0 CGADMP CCCCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160395 804177900 /nfs/dbraw/zinc/17/79/00/804177900.db2.gz MIFVUDXKNOMHFL-BRWVUGGUSA-N 2 1 282.472 3.236 20 0 CGADMP CCC[NH+](CCC)CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246161823 804179076 /nfs/dbraw/zinc/17/90/76/804179076.db2.gz LOOBJVLSGVQQBR-UHFFFAOYSA-N 3 1 295.515 3.010 20 0 CGADMP CN(C)c1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246168630 804182332 /nfs/dbraw/zinc/18/23/32/804182332.db2.gz YXRSQFBYHXXRGJ-RDJZCZTQSA-N 2 1 289.467 3.009 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246180015 804193850 /nfs/dbraw/zinc/19/38/50/804193850.db2.gz QCKQNPLHRWYOHI-APWZRJJASA-N 2 1 294.442 3.333 20 0 CGADMP CCCC[N@@H+](C)CCCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246184654 804196656 /nfs/dbraw/zinc/19/66/56/804196656.db2.gz MOBOEQHELMIHHO-KRWDZBQOSA-N 3 1 295.515 3.153 20 0 CGADMP CCCC[N@H+](C)CCC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246184654 804196660 /nfs/dbraw/zinc/19/66/60/804196660.db2.gz MOBOEQHELMIHHO-KRWDZBQOSA-N 3 1 295.515 3.153 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246184654 804196664 /nfs/dbraw/zinc/19/66/64/804196664.db2.gz MOBOEQHELMIHHO-KRWDZBQOSA-N 3 1 295.515 3.153 20 0 CGADMP CC[C@@H]1C[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C[C@H](CC)[NH2+]1 ZINC001246186048 804197058 /nfs/dbraw/zinc/19/70/58/804197058.db2.gz HIDSADOKKQDJER-MUJYYYPQSA-N 3 1 295.515 3.276 20 0 CGADMP CCCC[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC001246196281 804203457 /nfs/dbraw/zinc/20/34/57/804203457.db2.gz SFNCZTQSFMSMNS-KURKYZTESA-N 2 1 295.515 3.151 20 0 CGADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCCCCC1 ZINC001246203803 804206591 /nfs/dbraw/zinc/20/65/91/804206591.db2.gz VLDHSJVCQZMKDE-HNNXBMFYSA-N 2 1 298.471 3.138 20 0 CGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC1([NH3+])CC1 ZINC001246211351 804208746 /nfs/dbraw/zinc/20/87/46/804208746.db2.gz QRRDCYMKQVHQOM-SECBINFHSA-N 2 1 288.769 3.020 20 0 CGADMP CCCC[C@@H](CCC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246234948 804227372 /nfs/dbraw/zinc/22/73/72/804227372.db2.gz WUZLZRJBOKLUGT-CHWSQXEVSA-N 2 1 262.388 3.180 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246236915 804229121 /nfs/dbraw/zinc/22/91/21/804229121.db2.gz UQVQVLHGZRWDFY-CVEARBPZSA-N 2 1 278.415 3.390 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246238547 804231050 /nfs/dbraw/zinc/23/10/50/804231050.db2.gz PTSGWQDTRMJNTK-CABCVRRESA-N 2 1 278.827 3.449 20 0 CGADMP Clc1ccc(C2(C[NH2+][C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246241864 804233107 /nfs/dbraw/zinc/23/31/07/804233107.db2.gz ZDESDMFDDSCELA-OAHLLOKOSA-N 2 1 278.827 3.103 20 0 CGADMP CCCCCC[C@@H](CCCC)[NH2+]C[C@H]([NH3+])COC ZINC001246242596 804233510 /nfs/dbraw/zinc/23/35/10/804233510.db2.gz ZOVANEZPSWFISO-LSDHHAIUSA-N 2 1 258.450 3.079 20 0 CGADMP CCC1CCC([NH2+][C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC001246267500 804248017 /nfs/dbraw/zinc/24/80/17/804248017.db2.gz NFOHBIYIXDTZIU-BDVYOWHSSA-N 2 1 260.425 3.115 20 0 CGADMP C[C@H]1CC([NH2+]C(C)(C)c2cc(F)cc(F)c2)C[C@H](C)[NH2+]1 ZINC001246281689 804256437 /nfs/dbraw/zinc/25/64/37/804256437.db2.gz UFDSWNPLUVBWHY-QWRGUYRKSA-N 2 1 282.378 3.319 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC[NH2+]1 ZINC001246309134 804272228 /nfs/dbraw/zinc/27/22/28/804272228.db2.gz UMCWXLIOLULPAE-AXAPSJFSSA-N 2 1 262.372 3.007 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246320616 804279397 /nfs/dbraw/zinc/27/93/97/804279397.db2.gz ZLTBUDUTMZQUOE-BXKDBHETSA-N 2 1 275.223 3.251 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246326565 804282933 /nfs/dbraw/zinc/28/29/33/804282933.db2.gz QHNKPEKKVDFOKX-PVAVHDDUSA-N 2 1 260.425 3.128 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246329431 804284174 /nfs/dbraw/zinc/28/41/74/804284174.db2.gz PZLKBUWYTMXGDP-UKRRQHHQSA-N 2 1 250.430 3.220 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3C(F)F)C2)C1 ZINC001139800525 804285490 /nfs/dbraw/zinc/28/54/90/804285490.db2.gz OLTVHHHHTGNNOE-INIZCTEOSA-N 2 1 280.362 3.152 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3C(F)F)C2)C1 ZINC001139800525 804285497 /nfs/dbraw/zinc/28/54/97/804285497.db2.gz OLTVHHHHTGNNOE-INIZCTEOSA-N 2 1 280.362 3.152 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3C(F)F)C2)C1 ZINC001139800525 804285505 /nfs/dbraw/zinc/28/55/05/804285505.db2.gz OLTVHHHHTGNNOE-INIZCTEOSA-N 2 1 280.362 3.152 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3C(F)F)C2)C1 ZINC001139800525 804285512 /nfs/dbraw/zinc/28/55/12/804285512.db2.gz OLTVHHHHTGNNOE-INIZCTEOSA-N 2 1 280.362 3.152 20 0 CGADMP [NH3+]CCCCCCCCCCC[NH2+][C@H]1CCCCNC1 ZINC001246337985 804293117 /nfs/dbraw/zinc/29/31/17/804293117.db2.gz ZAIUQDSVVZLLJT-KRWDZBQOSA-N 2 1 283.504 3.188 20 0 CGADMP CCCCC1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246342985 804294064 /nfs/dbraw/zinc/29/40/64/804294064.db2.gz QLEGLPRRYUJUEB-LBDPXKHJSA-N 2 1 252.446 3.466 20 0 CGADMP CCCC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC1 ZINC001246344449 804296472 /nfs/dbraw/zinc/29/64/72/804296472.db2.gz ZJUVZFFRXWVQGY-HOAMVYINSA-N 2 1 292.389 3.475 20 0 CGADMP [NH3+]CC1([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001246354567 804301167 /nfs/dbraw/zinc/30/11/67/804301167.db2.gz GTGMOKZWTWRNAX-GFCCVEGCSA-N 2 1 299.245 3.322 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358835 804304584 /nfs/dbraw/zinc/30/45/84/804304584.db2.gz GYAFGKIIKIZYBK-DJIMGWMZSA-N 2 1 260.425 3.128 20 0 CGADMP [NH3+]CC1([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC001246358247 804304610 /nfs/dbraw/zinc/30/46/10/804304610.db2.gz ZGZCQFCFQABYBF-HZPDHXFCSA-N 2 1 258.409 3.184 20 0 CGADMP CC(C)CC1([NH2+][C@H]2CCC[NH2+]C2)CCC(F)(F)CC1 ZINC001246370960 804307218 /nfs/dbraw/zinc/30/72/18/804307218.db2.gz TVPNVDXVNGBFNK-ZDUSSCGKSA-N 2 1 274.399 3.322 20 0 CGADMP CC(C)CC1([NH2+][C@@H]2CCC[NH2+]C2)CCC(F)(F)CC1 ZINC001246370957 804308184 /nfs/dbraw/zinc/30/81/84/804308184.db2.gz TVPNVDXVNGBFNK-CYBMUJFWSA-N 2 1 274.399 3.322 20 0 CGADMP Cc1ccccc1CC1(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246386235 804315764 /nfs/dbraw/zinc/31/57/64/804315764.db2.gz GGHLUYBNZWPRLT-NVXWUHKLSA-N 2 1 272.436 3.048 20 0 CGADMP CCCC[C@H](CC)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246484324 804355817 /nfs/dbraw/zinc/35/58/17/804355817.db2.gz WWTVEILWROLOIC-OLZOCXBDSA-N 2 1 262.388 3.180 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)C[NH2+]1 ZINC001246488700 804357008 /nfs/dbraw/zinc/35/70/08/804357008.db2.gz IZZUHSQEPBDQEG-XQLPTFJDSA-N 2 1 252.446 3.321 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246494829 804360379 /nfs/dbraw/zinc/36/03/79/804360379.db2.gz LOJKXVAPIDGXOP-RPVFDAQASA-N 2 1 299.245 3.264 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246524443 804377821 /nfs/dbraw/zinc/37/78/21/804377821.db2.gz QRNQBPQQZLGVSQ-SFHVURJKSA-N 2 1 298.474 3.318 20 0 CGADMP CCCCC[N@@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246527214 804381587 /nfs/dbraw/zinc/38/15/87/804381587.db2.gz FAALIKQXSKJNGT-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246537349 804385157 /nfs/dbraw/zinc/38/51/57/804385157.db2.gz VJZOVYJEOAPMFM-VYDXJSESSA-N 2 1 290.451 3.089 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539291 804387927 /nfs/dbraw/zinc/38/79/27/804387927.db2.gz HDWUTEXINJPXNW-BRWVUGGUSA-N 2 1 258.409 3.136 20 0 CGADMP FC1(F)CCCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246540750 804390430 /nfs/dbraw/zinc/39/04/30/804390430.db2.gz CDVHSHWYXBWQOL-CYBMUJFWSA-N 2 1 272.383 3.030 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246541057 804390487 /nfs/dbraw/zinc/39/04/87/804390487.db2.gz LLRJVGPCIIDMKO-CGTJXYLNSA-N 2 1 274.452 3.315 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246542768 804391136 /nfs/dbraw/zinc/39/11/36/804391136.db2.gz YEUDRLHTGXOQIG-PVAVHDDUSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246542768 804391146 /nfs/dbraw/zinc/39/11/46/804391146.db2.gz YEUDRLHTGXOQIG-PVAVHDDUSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246545398 804393296 /nfs/dbraw/zinc/39/32/96/804393296.db2.gz KIWSSHZPSUGNIQ-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@](F)(C[NH3+])CC1)C2 ZINC001246547306 804395248 /nfs/dbraw/zinc/39/52/48/804395248.db2.gz HRYFDWJMMVJXIS-WMZOPIPTSA-N 2 1 290.426 3.005 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246547374 804396045 /nfs/dbraw/zinc/39/60/45/804396045.db2.gz HYOHQKGEZHXLOD-CABCVRRESA-N 2 1 256.409 3.274 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246549099 804397380 /nfs/dbraw/zinc/39/73/80/804397380.db2.gz HAPJEUANMIZYOW-OWCLPIDISA-N 2 1 292.492 3.392 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)CCc2ccc(C)cc2)C1 ZINC001246554033 804403780 /nfs/dbraw/zinc/40/37/80/804403780.db2.gz YQJMCJWEPHZZAW-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553585 804403805 /nfs/dbraw/zinc/40/38/05/804403805.db2.gz BNCDQBOWRPDOEV-OLZOCXBDSA-N 2 1 262.388 3.117 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246559619 804407744 /nfs/dbraw/zinc/40/77/44/804407744.db2.gz SJOPIYQEUWKIIN-MJBXVCDLSA-N 2 1 276.415 3.363 20 0 CGADMP C[C@H]1C[N@H+](C2CCC3(CCOCC3)CC2)CCC[C@H]1C[NH3+] ZINC001246560397 804410300 /nfs/dbraw/zinc/41/03/00/804410300.db2.gz FYWWITANCJHWPX-HOTGVXAUSA-N 2 1 294.483 3.033 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CCC[C@@H]1C[NH3+] ZINC001246563841 804413389 /nfs/dbraw/zinc/41/33/89/804413389.db2.gz VGPJWYVLMDGCIU-MRRJBJDNSA-N 2 1 292.854 3.114 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1)C2 ZINC001246571537 804418782 /nfs/dbraw/zinc/41/87/82/804418782.db2.gz WEPMTSMJGMSAMV-NJAFHUGGSA-N 2 1 286.463 3.159 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC001246573767 804420794 /nfs/dbraw/zinc/42/07/94/804420794.db2.gz MEFFIAOGBFLVTF-DGXTUMSLSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001246574280 804420819 /nfs/dbraw/zinc/42/08/19/804420819.db2.gz UDGCUVLZWNXXEU-LSDHHAIUSA-N 2 1 278.465 3.017 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001246574280 804420822 /nfs/dbraw/zinc/42/08/22/804420822.db2.gz UDGCUVLZWNXXEU-LSDHHAIUSA-N 2 1 278.465 3.017 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC(C)(C)C1 ZINC001246579859 804424600 /nfs/dbraw/zinc/42/46/00/804424600.db2.gz LYMHNHUBSMWFLN-YCPHGPKFSA-N 2 1 270.436 3.354 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CC(C)(C)C1 ZINC001246579859 804424603 /nfs/dbraw/zinc/42/46/03/804424603.db2.gz LYMHNHUBSMWFLN-YCPHGPKFSA-N 2 1 270.436 3.354 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246582343 804425523 /nfs/dbraw/zinc/42/55/23/804425523.db2.gz GOCGMBCPWAFYHA-XQLPTFJDSA-N 2 1 258.425 3.353 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246582343 804425528 /nfs/dbraw/zinc/42/55/28/804425528.db2.gz GOCGMBCPWAFYHA-XQLPTFJDSA-N 2 1 258.425 3.353 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001246581626 804425758 /nfs/dbraw/zinc/42/57/58/804425758.db2.gz ZLSPZFGXYWXGCX-WMZOPIPTSA-N 2 1 274.452 3.377 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C2CCCCCCC2)C1 ZINC001246584458 804428535 /nfs/dbraw/zinc/42/85/35/804428535.db2.gz WUOUWFPSHADCSN-OAHLLOKOSA-N 2 1 256.409 3.252 20 0 CGADMP CCCOC1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246583799 804428486 /nfs/dbraw/zinc/42/84/86/804428486.db2.gz VKIRQTVJJRNZSF-OFLPRAFFSA-N 2 1 282.472 3.175 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](C2CCCCCCC2)C1 ZINC001246584458 804428537 /nfs/dbraw/zinc/42/85/37/804428537.db2.gz WUOUWFPSHADCSN-OAHLLOKOSA-N 2 1 256.409 3.252 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246588818 804431461 /nfs/dbraw/zinc/43/14/61/804431461.db2.gz CPTWEGAJOMNJPB-QAPCUYQASA-N 2 1 290.426 3.134 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598496 804436568 /nfs/dbraw/zinc/43/65/68/804436568.db2.gz ANIQTKQHHFUBSY-RTBURBONSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598496 804436572 /nfs/dbraw/zinc/43/65/72/804436572.db2.gz ANIQTKQHHFUBSY-RTBURBONSA-N 2 1 286.463 3.472 20 0 CGADMP CCC(CC)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246600020 804439126 /nfs/dbraw/zinc/43/91/26/804439126.db2.gz CRGLWEOZRKBVRF-INIZCTEOSA-N 2 1 252.446 3.421 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246603010 804440364 /nfs/dbraw/zinc/44/03/64/804440364.db2.gz LKIWKDBHINPQSF-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCO1 ZINC001246609770 804444507 /nfs/dbraw/zinc/44/45/07/804444507.db2.gz NNFTZUOSXFQZPV-KURKYZTESA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)C1 ZINC001246610468 804445146 /nfs/dbraw/zinc/44/51/46/804445146.db2.gz AFWFFYJNWXNJMS-OWCLPIDISA-N 2 1 250.430 3.173 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246613517 804446578 /nfs/dbraw/zinc/44/65/78/804446578.db2.gz KZEOSAOQQDWGBW-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246614337 804449026 /nfs/dbraw/zinc/44/90/26/804449026.db2.gz RUDCLFWYTSCZCX-GOEBONIOSA-N 2 1 284.513 3.372 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)C1 ZINC001246616429 804450121 /nfs/dbraw/zinc/45/01/21/804450121.db2.gz WHKKOKMWGZMOLG-GOEBONIOSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246616058 804450868 /nfs/dbraw/zinc/45/08/68/804450868.db2.gz WYZHCYUATPDRKM-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246627514 804458454 /nfs/dbraw/zinc/45/84/54/804458454.db2.gz KLZAAYQRZOZYNQ-LJQANCHMSA-N 2 1 284.447 3.010 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246627862 804458627 /nfs/dbraw/zinc/45/86/27/804458627.db2.gz AOZUEHCJBNRLAL-ZJPYXAASSA-N 2 1 270.420 3.149 20 0 CGADMP CCCCCC[C@@H](CCCC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246628375 804459114 /nfs/dbraw/zinc/45/91/14/804459114.db2.gz LEAKCUSFSGSCOB-QZTJIDSGSA-N 2 1 295.515 3.153 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629018 804460298 /nfs/dbraw/zinc/46/02/98/804460298.db2.gz MOHIHVQAFPSJRF-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633937 804463976 /nfs/dbraw/zinc/46/39/76/804463976.db2.gz FRDGSICGLDTGSO-LVQVYYBASA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633937 804463977 /nfs/dbraw/zinc/46/39/77/804463977.db2.gz FRDGSICGLDTGSO-LVQVYYBASA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634494 804464091 /nfs/dbraw/zinc/46/40/91/804464091.db2.gz OAISZHJRZVIDHY-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634711 804464181 /nfs/dbraw/zinc/46/41/81/804464181.db2.gz HAFNXHPAWYSYGG-SFHVURJKSA-N 2 1 296.499 3.149 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246637270 804465232 /nfs/dbraw/zinc/46/52/32/804465232.db2.gz PSWPIYVGAVTWCH-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246637270 804465237 /nfs/dbraw/zinc/46/52/37/804465237.db2.gz PSWPIYVGAVTWCH-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246636937 804466046 /nfs/dbraw/zinc/46/60/46/804466046.db2.gz XNEKDXRRNROLHA-OKZBNKHCSA-N 2 1 272.436 3.080 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246636937 804466049 /nfs/dbraw/zinc/46/60/49/804466049.db2.gz XNEKDXRRNROLHA-OKZBNKHCSA-N 2 1 272.436 3.080 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246639311 804467339 /nfs/dbraw/zinc/46/73/39/804467339.db2.gz QHAIUPSSAZKMES-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246639311 804467344 /nfs/dbraw/zinc/46/73/44/804467344.db2.gz QHAIUPSSAZKMES-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc(C[C@@H]2C[C@@H]([NH+]3CCC4(CC4)CC3)CC[NH2+]2)cc1 ZINC001246640007 804467580 /nfs/dbraw/zinc/46/75/80/804467580.db2.gz AIJWJZPYPGGMEM-MSOLQXFVSA-N 2 1 284.447 3.226 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)C[NH2+]1 ZINC001246642478 804469141 /nfs/dbraw/zinc/46/91/41/804469141.db2.gz BUCJADOHVHQNSI-RDJZCZTQSA-N 2 1 284.447 3.107 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C[C@@H]1C ZINC001246641842 804469282 /nfs/dbraw/zinc/46/92/82/804469282.db2.gz GMAIXQAZBVHZOS-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246642534 804470300 /nfs/dbraw/zinc/47/03/00/804470300.db2.gz WSPBHNKEYCZZQA-ROUUACIJSA-N 2 1 296.499 3.437 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246643244 804471023 /nfs/dbraw/zinc/47/10/23/804471023.db2.gz XIQAXZOYYALGII-BHDPWAOGSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246643244 804471027 /nfs/dbraw/zinc/47/10/27/804471027.db2.gz XIQAXZOYYALGII-BHDPWAOGSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC001246645158 804472138 /nfs/dbraw/zinc/47/21/38/804472138.db2.gz BRPRXBWJVAAHHI-HNNXBMFYSA-N 2 1 290.476 3.304 20 0 CGADMP C1C[C@H]2[C@H](CC[N@H+]2[C@@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246644423 804472167 /nfs/dbraw/zinc/47/21/67/804472167.db2.gz HPDCCPKOPMDTGP-PMPSAXMXSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246647986 804475743 /nfs/dbraw/zinc/47/57/43/804475743.db2.gz NSHKBYOSTSMXIR-OAHLLOKOSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246651743 804478756 /nfs/dbraw/zinc/47/87/56/804478756.db2.gz ZDAIZRUUDUTFDO-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656426 804482131 /nfs/dbraw/zinc/48/21/31/804482131.db2.gz NSYWKEWLCVYGKV-RDBSUJKOSA-N 2 1 290.373 3.205 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246658607 804482248 /nfs/dbraw/zinc/48/22/48/804482248.db2.gz LCVNCAKSUHGNCC-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246658607 804482250 /nfs/dbraw/zinc/48/22/50/804482250.db2.gz LCVNCAKSUHGNCC-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc(C[C@H]2C[C@H]([N@H+]3C[C@@H]4CCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246658686 804482504 /nfs/dbraw/zinc/48/25/04/804482504.db2.gz DCBILAINZOABLA-ZSYWTGECSA-N 2 1 284.447 3.082 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246663284 804485178 /nfs/dbraw/zinc/48/51/78/804485178.db2.gz JBPMQCWDUOXKLT-CAOSSQGBSA-N 2 1 252.446 3.260 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C1 ZINC001246662993 804485674 /nfs/dbraw/zinc/48/56/74/804485674.db2.gz WQJXLTMGCZYMBA-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246664909 804486823 /nfs/dbraw/zinc/48/68/23/804486823.db2.gz YNRABVBVANMBQN-KURKYZTESA-N 2 1 272.436 3.082 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246676294 804491247 /nfs/dbraw/zinc/49/12/47/804491247.db2.gz DCVUQCDWDQDVTD-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677582 804491583 /nfs/dbraw/zinc/49/15/83/804491583.db2.gz JTGRWCXWDIAVIX-BZSNNMDCSA-N 2 1 296.499 3.149 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC001246678605 804492768 /nfs/dbraw/zinc/49/27/68/804492768.db2.gz YEIXKJNCVZPCNP-JWHDQAAXSA-N 2 1 284.447 3.082 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+](C)CCC[NH3+] ZINC001246680443 804493928 /nfs/dbraw/zinc/49/39/28/804493928.db2.gz ISWCMOADZHOMLL-CYBMUJFWSA-N 2 1 284.469 3.351 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)C[C@@H]21 ZINC001246679056 804494495 /nfs/dbraw/zinc/49/44/95/804494495.db2.gz RIGUJHWTGIAHOW-BQJWPVKWSA-N 2 1 276.468 3.133 20 0 CGADMP C[N@@H+](CCC[NH3+])[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246680797 804494715 /nfs/dbraw/zinc/49/47/15/804494715.db2.gz LKZIVDITSBCVSM-LBPRGKRZSA-N 2 1 287.234 3.131 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1 ZINC001246681862 804494730 /nfs/dbraw/zinc/49/47/30/804494730.db2.gz JYIIWNJTSCLITO-QXCFHYIPSA-N 2 1 284.447 3.254 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246775792 804505017 /nfs/dbraw/zinc/50/50/17/804505017.db2.gz LFQDWBMDOOVJGG-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH2+]CC2)cc1 ZINC001246782250 804508701 /nfs/dbraw/zinc/50/87/01/804508701.db2.gz RENFSUWSCHUEMU-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246780896 804508828 /nfs/dbraw/zinc/50/88/28/804508828.db2.gz MPIFCHULMNGESV-ONYGOOLBSA-N 2 1 286.419 3.115 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784330 804509796 /nfs/dbraw/zinc/50/97/96/804509796.db2.gz FZLYRLPATCJEMA-GRDNDAEWSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784330 804509801 /nfs/dbraw/zinc/50/98/01/804509801.db2.gz FZLYRLPATCJEMA-GRDNDAEWSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784324 804509874 /nfs/dbraw/zinc/50/98/74/804509874.db2.gz FZLYRLPATCJEMA-CKEIUWERSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784324 804509878 /nfs/dbraw/zinc/50/98/78/804509878.db2.gz FZLYRLPATCJEMA-CKEIUWERSA-N 2 1 276.399 3.493 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246790789 804513349 /nfs/dbraw/zinc/51/33/49/804513349.db2.gz MXOWWROFEQTDJO-PMPSAXMXSA-N 2 1 252.446 3.418 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789001 804514333 /nfs/dbraw/zinc/51/43/33/804514333.db2.gz AMRMYLWCVPQHEY-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)[C@H]1C ZINC001246792442 804515238 /nfs/dbraw/zinc/51/52/38/804515238.db2.gz WATYCRATWGEXOZ-QVOMUQBLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H]1C ZINC001246792339 804515338 /nfs/dbraw/zinc/51/53/38/804515338.db2.gz UXPBIVAXTRYDFS-PSBWJHGTSA-N 2 1 286.463 3.470 20 0 CGADMP C[NH2+]Cc1cccc(N[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256921451 807012148 /nfs/dbraw/zinc/01/21/48/807012148.db2.gz ZXPOSYVEJZASKR-QGZVFWFLSA-N 2 1 287.451 3.225 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246798791 804519062 /nfs/dbraw/zinc/51/90/62/804519062.db2.gz SJGQPHGEGSYHEY-CYBMUJFWSA-N 2 1 272.502 3.228 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246798418 804519183 /nfs/dbraw/zinc/51/91/83/804519183.db2.gz SZCBNONPTSGXDP-MRXNPFEDSA-N 2 1 260.425 3.082 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246798760 804519838 /nfs/dbraw/zinc/51/98/38/804519838.db2.gz RQLJKDYVTQPOJO-XJKSGUPXSA-N 2 1 276.399 3.493 20 0 CGADMP FC1CC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802531 804520683 /nfs/dbraw/zinc/52/06/83/804520683.db2.gz YCTAPQQWNMHRIG-UHFFFAOYSA-N 2 1 273.355 3.277 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1CN1CC[NH+](C2CCCCC2)CC1 ZINC001140802120 804521642 /nfs/dbraw/zinc/52/16/42/804521642.db2.gz NUIGFOHAPHQJEL-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP C[C@@]1(F)CCCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802446 804521859 /nfs/dbraw/zinc/52/18/59/804521859.db2.gz VRUFGLDLLVUJBI-OAHLLOKOSA-N 2 1 261.344 3.277 20 0 CGADMP C[C@@]1(F)CCCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802446 804521864 /nfs/dbraw/zinc/52/18/64/804521864.db2.gz VRUFGLDLLVUJBI-OAHLLOKOSA-N 2 1 261.344 3.277 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246801096 804522039 /nfs/dbraw/zinc/52/20/39/804522039.db2.gz YVYOQBWIZHPUMQ-ZSHCYNCHSA-N 2 1 278.827 3.445 20 0 CGADMP C1CCC2(C1)CC[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246804153 804522813 /nfs/dbraw/zinc/52/28/13/804522813.db2.gz MGIHFIXYMMWZSY-OAHLLOKOSA-N 2 1 262.441 3.175 20 0 CGADMP CC[C@H]1CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246804146 804523298 /nfs/dbraw/zinc/52/32/98/804523298.db2.gz MEDOSOKSZVJNJR-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCc2ccccc2CC1 ZINC001140803961 804524419 /nfs/dbraw/zinc/52/44/19/804524419.db2.gz XABJHJBQCLPBRX-UHFFFAOYSA-N 2 1 277.371 3.164 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)(C)OC)CC[NH2+]1 ZINC001246812386 804528163 /nfs/dbraw/zinc/52/81/63/804528163.db2.gz ZPBOSSPJAZQOFT-PMPSAXMXSA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)(C)OC)C[C@H](CC)[NH2+]1 ZINC001246811746 804528316 /nfs/dbraw/zinc/52/83/16/804528316.db2.gz WCODAHIXYVUUGF-QKPAOTATSA-N 2 1 282.472 3.185 20 0 CGADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246811333 804528971 /nfs/dbraw/zinc/52/89/71/804528971.db2.gz SNNNJNWLEGVDKP-CVEARBPZSA-N 2 1 294.483 3.331 20 0 CGADMP CCCCCC1CCC([N@@H+]2CC[C@@H]([NH2+]C)C2)CC1 ZINC001246811458 804529305 /nfs/dbraw/zinc/52/93/05/804529305.db2.gz DHCCIAZROXKJOA-HWOWSKLDSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC1CCC([N@H+]2CC[C@@H]([NH2+]C)C2)CC1 ZINC001246811458 804529309 /nfs/dbraw/zinc/52/93/09/804529309.db2.gz DHCCIAZROXKJOA-HWOWSKLDSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@H](C)CC[NH2+]C ZINC001246838717 804546437 /nfs/dbraw/zinc/54/64/37/804546437.db2.gz FGJFDPLMCRDTRI-GFCCVEGCSA-N 2 1 299.256 3.269 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](C)CCc2ccc(F)cc2)CC[NH2+]1 ZINC001246820492 804535639 /nfs/dbraw/zinc/53/56/39/804535639.db2.gz GNJJAHYACQWXSX-IAGOWNOFSA-N 2 1 278.415 3.077 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246822665 804537392 /nfs/dbraw/zinc/53/73/92/804537392.db2.gz MIZQSLDOJJEIQE-KYJSFNMBSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827788 804539620 /nfs/dbraw/zinc/53/96/20/804539620.db2.gz RBNVNIRZPLZDBH-GRYCIOLGSA-N 2 1 266.351 3.023 20 0 CGADMP CC[C@H](CC(C)C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827788 804539624 /nfs/dbraw/zinc/53/96/24/804539624.db2.gz RBNVNIRZPLZDBH-GRYCIOLGSA-N 2 1 266.351 3.023 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246835501 804543997 /nfs/dbraw/zinc/54/39/97/804543997.db2.gz TXMHMNOHEANJLC-ZBFHGGJFSA-N 2 1 276.399 3.146 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246835361 804544229 /nfs/dbraw/zinc/54/42/29/804544229.db2.gz RNWSQQVTKIPZHM-NXHRZFHOSA-N 2 1 290.426 3.392 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246837497 804546587 /nfs/dbraw/zinc/54/65/87/804546587.db2.gz USDVSGHLHSULBR-UHFFFAOYSA-N 2 1 278.827 3.229 20 0 CGADMP C[C@H]1c2cccn2CC[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246839085 804547723 /nfs/dbraw/zinc/54/77/23/804547723.db2.gz HLSMVAHQMXIVTA-HNNXBMFYSA-N 2 1 287.451 3.177 20 0 CGADMP C[C@H]1c2cccn2CC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246839085 804547729 /nfs/dbraw/zinc/54/77/29/804547729.db2.gz HLSMVAHQMXIVTA-HNNXBMFYSA-N 2 1 287.451 3.177 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246841207 804550014 /nfs/dbraw/zinc/55/00/14/804550014.db2.gz MZXIULVGMNISPO-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@H]1CC([N@@H+](C)CC2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246841108 804550948 /nfs/dbraw/zinc/55/09/48/804550948.db2.gz MOCVZXJRIWTZKP-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP C1CC12CCCC[N@H+]2C1CCC2(CC[NH2+]CC2)CC1 ZINC001246844409 804551559 /nfs/dbraw/zinc/55/15/59/804551559.db2.gz JFUBLPMLBFEOFQ-UHFFFAOYSA-N 2 1 262.441 3.317 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001246845801 804554281 /nfs/dbraw/zinc/55/42/81/804554281.db2.gz LZOFKRZPFDVTOB-HRCADAONSA-N 2 1 290.476 3.017 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001246848695 804558280 /nfs/dbraw/zinc/55/82/80/804558280.db2.gz CNCWZVXPJVVFFQ-TZMCWYRMSA-N 2 1 266.816 3.127 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246854271 804563279 /nfs/dbraw/zinc/56/32/79/804563279.db2.gz PWBJLTYIXFIDGO-KSZLIROESA-N 2 1 272.436 3.067 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854738 804564066 /nfs/dbraw/zinc/56/40/66/804564066.db2.gz RCWOOIYLLLTACP-RCCFBDPRSA-N 2 1 272.436 3.211 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C[C@H](C)[NH2+]1 ZINC001246860415 804565614 /nfs/dbraw/zinc/56/56/14/804565614.db2.gz ODYKHUDHUCQGFL-XOIINTDNSA-N 2 1 258.409 3.180 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246863716 804567534 /nfs/dbraw/zinc/56/75/34/804567534.db2.gz YYIGANIJETZBRR-BFYDXBDKSA-N 2 1 298.434 3.047 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246868105 804571057 /nfs/dbraw/zinc/57/10/57/804571057.db2.gz QLVCLKYHPSGGKV-VGWMRTNUSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246868105 804571063 /nfs/dbraw/zinc/57/10/63/804571063.db2.gz QLVCLKYHPSGGKV-VGWMRTNUSA-N 2 1 252.446 3.131 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246869100 804571727 /nfs/dbraw/zinc/57/17/27/804571727.db2.gz DQBKXDJAXGIFLN-ZWKOTPCHSA-N 2 1 295.515 3.090 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]1 ZINC001246875079 804574338 /nfs/dbraw/zinc/57/43/38/804574338.db2.gz MBANTTAQUSJAGS-XHDPSFHLSA-N 2 1 298.352 3.204 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]1 ZINC001246875079 804574341 /nfs/dbraw/zinc/57/43/41/804574341.db2.gz MBANTTAQUSJAGS-XHDPSFHLSA-N 2 1 298.352 3.204 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246876685 804574481 /nfs/dbraw/zinc/57/44/81/804574481.db2.gz HIYGGMQNRJHIPI-YSHGAJCASA-N 2 1 284.447 3.038 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001246893988 804584867 /nfs/dbraw/zinc/58/48/67/804584867.db2.gz MILXIXXGEGJBFJ-CQSZACIVSA-N 2 1 256.393 3.270 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@@H]2c2cccc(F)c2)C[C@H](C)[NH2+]1 ZINC001246895743 804585391 /nfs/dbraw/zinc/58/53/91/804585391.db2.gz FOOZDMWDIHPQQO-GDZNZVCISA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246900245 804586322 /nfs/dbraw/zinc/58/63/22/804586322.db2.gz HAFYTAWETKMRAK-LBTNJELSSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246900245 804586324 /nfs/dbraw/zinc/58/63/24/804586324.db2.gz HAFYTAWETKMRAK-LBTNJELSSA-N 2 1 283.419 3.445 20 0 CGADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246911524 804594626 /nfs/dbraw/zinc/59/46/26/804594626.db2.gz PQZRWHXKMIPRGQ-ULQDDVLXSA-N 2 1 292.854 3.399 20 0 CGADMP C[C@H](Cc1ccco1)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246919870 804600636 /nfs/dbraw/zinc/60/06/36/804600636.db2.gz HQMDQBFXOMDKPY-AEFFLSMTSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@H](Cc1ccco1)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246919870 804600638 /nfs/dbraw/zinc/60/06/38/804600638.db2.gz HQMDQBFXOMDKPY-AEFFLSMTSA-N 2 1 298.430 3.465 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001246918558 804600950 /nfs/dbraw/zinc/60/09/50/804600950.db2.gz KZQLBYOJVHDBEA-DAWZGUTISA-N 2 1 286.463 3.315 20 0 CGADMP C1CC2(C1)C[C@H]([N@@H+]1CCC[C@H]3CCCC[C@@H]31)CC[NH2+]2 ZINC001246922888 804601733 /nfs/dbraw/zinc/60/17/33/804601733.db2.gz YSNXOQBRYKPHFC-OAGGEKHMSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)C[C@H]([N@H+]1CCC[C@H]3CCCC[C@@H]31)CC[NH2+]2 ZINC001246922888 804601735 /nfs/dbraw/zinc/60/17/35/804601735.db2.gz YSNXOQBRYKPHFC-OAGGEKHMSA-N 2 1 262.441 3.316 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1c(F)cccc1Cl ZINC001246934410 804607263 /nfs/dbraw/zinc/60/72/63/804607263.db2.gz DVRBJJVSTSRXJC-OLZOCXBDSA-N 2 1 298.833 3.342 20 0 CGADMP CC[C@@H](C)[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246933398 804607575 /nfs/dbraw/zinc/60/75/75/804607575.db2.gz IMWGFUZWKGNJOO-CYBMUJFWSA-N 2 1 264.388 3.178 20 0 CGADMP CC[C@@H](C)[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246933398 804607578 /nfs/dbraw/zinc/60/75/78/804607578.db2.gz IMWGFUZWKGNJOO-CYBMUJFWSA-N 2 1 264.388 3.178 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CCc1ccc(C)cc1 ZINC001246935290 804607611 /nfs/dbraw/zinc/60/76/11/804607611.db2.gz GORNAETXXVZEBU-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP CC(C)OCC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246936792 804608900 /nfs/dbraw/zinc/60/89/00/804608900.db2.gz KCLNVTARBJNRLR-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)OCC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246936797 804609126 /nfs/dbraw/zinc/60/91/26/804609126.db2.gz KCLNVTARBJNRLR-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001246939786 804610054 /nfs/dbraw/zinc/61/00/54/804610054.db2.gz HEYIBNBCYCFRBV-AKHDSKFASA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCCC3(CCC3)C2)CC[NH2+]1 ZINC001246940049 804610393 /nfs/dbraw/zinc/61/03/93/804610393.db2.gz ICJVSNBRVXBTMH-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)(C)C[N@@H+](C1Cc2ccccc2C1)C1CC[NH2+]CC1 ZINC001246945802 804613848 /nfs/dbraw/zinc/61/38/48/804613848.db2.gz ISYWQYIXJNBUMI-UHFFFAOYSA-N 2 1 286.463 3.254 20 0 CGADMP CC[C@@H](C)[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246953222 804617798 /nfs/dbraw/zinc/61/77/98/804617798.db2.gz ARFSXBYBLZARMG-GFCCVEGCSA-N 2 1 282.378 3.317 20 0 CGADMP CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246958957 804618138 /nfs/dbraw/zinc/61/81/38/804618138.db2.gz UFQXTQDHCZQOMZ-CQSZACIVSA-N 2 1 278.415 3.487 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246969795 804622131 /nfs/dbraw/zinc/62/21/31/804622131.db2.gz VXWRVPUYHMIOIL-ACBHZAAOSA-N 2 1 286.463 3.459 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246969857 804622438 /nfs/dbraw/zinc/62/24/38/804622438.db2.gz XKRHUHYFSMNUTM-KRWDZBQOSA-N 2 1 270.420 3.028 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2cccc(F)c2C1 ZINC001246973251 804623706 /nfs/dbraw/zinc/62/37/06/804623706.db2.gz GPYPOLSPEIYIKF-HOCLYGCPSA-N 2 1 290.426 3.005 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1cccc(F)c1 ZINC001246979628 804627772 /nfs/dbraw/zinc/62/77/72/804627772.db2.gz ZZQSVMLLBHJICI-GDBMZVCRSA-N 2 1 278.415 3.078 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001246989800 804630544 /nfs/dbraw/zinc/63/05/44/804630544.db2.gz HOJSWRCMMORRCM-GUYCJALGSA-N 2 1 292.854 3.129 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246992512 804631853 /nfs/dbraw/zinc/63/18/53/804631853.db2.gz ZUJUUPLPTFTKBM-UHFFFAOYSA-N 2 1 297.531 3.063 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246992512 804631858 /nfs/dbraw/zinc/63/18/58/804631858.db2.gz ZUJUUPLPTFTKBM-UHFFFAOYSA-N 2 1 297.531 3.063 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012456 804639877 /nfs/dbraw/zinc/63/98/77/804639877.db2.gz DSTSVALJSBHNFQ-CRWXNKLISA-N 2 1 290.373 3.181 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012456 804639879 /nfs/dbraw/zinc/63/98/79/804639879.db2.gz DSTSVALJSBHNFQ-CRWXNKLISA-N 2 1 290.373 3.181 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015803 804642684 /nfs/dbraw/zinc/64/26/84/804642684.db2.gz PVEHNAXZANHBCN-UNEWFSDZSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015803 804642689 /nfs/dbraw/zinc/64/26/89/804642689.db2.gz PVEHNAXZANHBCN-UNEWFSDZSA-N 2 1 292.854 3.345 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(CC)c3)C[C@@H]2C1 ZINC001144326480 804973402 /nfs/dbraw/zinc/97/34/02/804973402.db2.gz BPKOTXBNTOCZMF-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(CC)c3)C[C@@H]2C1 ZINC001144326480 804973405 /nfs/dbraw/zinc/97/34/05/804973405.db2.gz BPKOTXBNTOCZMF-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(CC)c3)C[C@@H]2C1 ZINC001144326480 804973408 /nfs/dbraw/zinc/97/34/08/804973408.db2.gz BPKOTXBNTOCZMF-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP Cc1cccc2cc[nH+]c(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c12 ZINC001165436686 807003205 /nfs/dbraw/zinc/00/32/05/807003205.db2.gz UGWXRANXRRLQBM-CABCVRRESA-N 2 1 299.393 3.056 20 0 CGADMP CC(C)[NH+]1CCC([NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC001257215020 807062213 /nfs/dbraw/zinc/06/22/13/807062213.db2.gz QNTFYHJKWULDNF-UHFFFAOYSA-N 2 1 278.362 3.134 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC001257213569 807062962 /nfs/dbraw/zinc/06/29/62/807062962.db2.gz QQBJUDMRMTURDR-HNNXBMFYSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC001257213569 807062970 /nfs/dbraw/zinc/06/29/70/807062970.db2.gz QQBJUDMRMTURDR-HNNXBMFYSA-N 2 1 272.436 3.479 20 0 CGADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001257249999 807069602 /nfs/dbraw/zinc/06/96/02/807069602.db2.gz GZDGQFDWGPPHRL-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001257249999 807069611 /nfs/dbraw/zinc/06/96/11/807069611.db2.gz GZDGQFDWGPPHRL-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(NCC2CC[NH+](C(C)C)CC2)c2[nH+]ccn2c1 ZINC001166622823 807071984 /nfs/dbraw/zinc/07/19/84/807071984.db2.gz GXUGZPODOMNSBR-UHFFFAOYSA-N 2 1 286.423 3.175 20 0 CGADMP c1csc(C[NH+]2C[C@H]3C[NH+](C4CCCC4)C[C@@H]3C2)c1 ZINC001257350691 807119222 /nfs/dbraw/zinc/11/92/22/807119222.db2.gz QOWQPHPCEJNLOA-KBPBESRZSA-N 2 1 276.449 3.054 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001257486077 807180529 /nfs/dbraw/zinc/18/05/29/807180529.db2.gz SKGJBEJRBSJTDN-YLFCFFPRSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cccc2c1CC[C@H]2[NH3+] ZINC001167755013 807243642 /nfs/dbraw/zinc/24/36/42/807243642.db2.gz YMBAXCGKSFQVDM-RHSMWYFYSA-N 2 1 287.451 3.309 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001167787902 807251926 /nfs/dbraw/zinc/25/19/26/807251926.db2.gz KLZRKGBXYJAKCW-MRXNPFEDSA-N 2 1 296.418 3.051 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](C)[C@H]2C)CC1 ZINC001258014635 807266924 /nfs/dbraw/zinc/26/69/24/807266924.db2.gz PFVXBJYPOBZNFO-LSDHHAIUSA-N 2 1 252.446 3.227 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](C)C[C@H]2C)CC1 ZINC001258016282 807267253 /nfs/dbraw/zinc/26/72/53/807267253.db2.gz FWKIUBLJJIVBIM-LSDHHAIUSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167924039 807274767 /nfs/dbraw/zinc/27/47/67/807274767.db2.gz MZQXJEZQZHNUCN-IQRFUGTFSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167924039 807274769 /nfs/dbraw/zinc/27/47/69/807274769.db2.gz MZQXJEZQZHNUCN-IQRFUGTFSA-N 2 1 284.447 3.285 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167960501 807286458 /nfs/dbraw/zinc/28/64/58/807286458.db2.gz ZMEQZCBHVUXXCM-YQQQUEKLSA-N 2 1 284.447 3.490 20 0 CGADMP CC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958705 807286629 /nfs/dbraw/zinc/28/66/29/807286629.db2.gz IXKQTRKROJUEHY-MQVJKMGUSA-N 2 1 264.457 3.418 20 0 CGADMP [NH3+]CCc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167962613 807288622 /nfs/dbraw/zinc/28/86/22/807288622.db2.gz ZBEKYVYHPLWORK-YQQQUEKLSA-N 2 1 299.462 3.005 20 0 CGADMP CC1(C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982844 807289822 /nfs/dbraw/zinc/28/98/22/807289822.db2.gz CIIAKQQVWIKNJF-XYPWUTKMSA-N 2 1 262.441 3.266 20 0 CGADMP CC1(C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982844 807289828 /nfs/dbraw/zinc/28/98/28/807289828.db2.gz CIIAKQQVWIKNJF-XYPWUTKMSA-N 2 1 262.441 3.266 20 0 CGADMP C[C@]1(F)CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983319 807289942 /nfs/dbraw/zinc/28/99/42/807289942.db2.gz FRCCUHMDVCZLRZ-WFVVYAPDSA-N 2 1 280.431 3.216 20 0 CGADMP C[C@]1(F)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983319 807289949 /nfs/dbraw/zinc/28/99/49/807289949.db2.gz FRCCUHMDVCZLRZ-WFVVYAPDSA-N 2 1 280.431 3.216 20 0 CGADMP C[C@]1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983319 807289955 /nfs/dbraw/zinc/28/99/55/807289955.db2.gz FRCCUHMDVCZLRZ-WFVVYAPDSA-N 2 1 280.431 3.216 20 0 CGADMP C[C@]1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983319 807289959 /nfs/dbraw/zinc/28/99/59/807289959.db2.gz FRCCUHMDVCZLRZ-WFVVYAPDSA-N 2 1 280.431 3.216 20 0 CGADMP C[C@]1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983319 807289963 /nfs/dbraw/zinc/28/99/63/807289963.db2.gz FRCCUHMDVCZLRZ-WFVVYAPDSA-N 2 1 280.431 3.216 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@H](C)C1 ZINC001168094516 807310152 /nfs/dbraw/zinc/31/01/52/807310152.db2.gz VEJOMTZRFMOMTD-MUIFIZLQSA-N 2 1 282.472 3.314 20 0 CGADMP C[N@H+](CC1CCC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146223 807319236 /nfs/dbraw/zinc/31/92/36/807319236.db2.gz SUNPZQYIJONOPB-UHFFFAOYSA-N 2 1 286.463 3.425 20 0 CGADMP C[N@@H+](CC1CCC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146223 807319245 /nfs/dbraw/zinc/31/92/45/807319245.db2.gz SUNPZQYIJONOPB-UHFFFAOYSA-N 2 1 286.463 3.425 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168151994 807327200 /nfs/dbraw/zinc/32/72/00/807327200.db2.gz CLCIWLVRVIFUKT-ZDUSSCGKSA-N 2 1 268.832 3.332 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001168170514 807333346 /nfs/dbraw/zinc/33/33/46/807333346.db2.gz MLDNAXRDQZQCHY-GFCCVEGCSA-N 2 1 277.799 3.232 20 0 CGADMP C[C@H](Cc1ccco1)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001258181261 807344323 /nfs/dbraw/zinc/34/43/23/807344323.db2.gz LPYABRAMCHCGCN-JKSUJKDBSA-N 2 1 286.419 3.308 20 0 CGADMP C[C@@H](Cc1ccco1)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001258192883 807353742 /nfs/dbraw/zinc/35/37/42/807353742.db2.gz RCXNZSFLAPOJBC-AWEZNQCLSA-N 2 1 294.414 3.109 20 0 CGADMP CSCC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001258207286 807363971 /nfs/dbraw/zinc/36/39/71/807363971.db2.gz CNDNMZVLMZMHOQ-GJZGRUSLSA-N 2 1 280.481 3.225 20 0 CGADMP CN1CCC[C@H]2C[N@H+](C3CCCCCCC3)C[C@H]21 ZINC001258242988 807384204 /nfs/dbraw/zinc/38/42/04/807384204.db2.gz CWEUFYXSRFXERN-GOEBONIOSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC001168327564 807385322 /nfs/dbraw/zinc/38/53/22/807385322.db2.gz OSBBRYVRYSJACI-UHFFFAOYSA-N 2 1 276.399 3.057 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001258328200 807412264 /nfs/dbraw/zinc/41/22/64/807412264.db2.gz SFEYCQYKOMANLH-ZFWWWQNUSA-N 2 1 284.513 3.371 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001258328200 807412267 /nfs/dbraw/zinc/41/22/67/807412267.db2.gz SFEYCQYKOMANLH-ZFWWWQNUSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001258475009 807472064 /nfs/dbraw/zinc/47/20/64/807472064.db2.gz ZZYHDYDSROGGIU-AWEZNQCLSA-N 2 1 269.392 3.493 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](C)CCC[NH+](C)C ZINC001258657139 807527386 /nfs/dbraw/zinc/52/73/86/807527386.db2.gz NNVXDWZDIMXDTQ-QGZVFWFLSA-N 2 1 262.441 3.281 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncccc1C ZINC001169090638 807571247 /nfs/dbraw/zinc/57/12/47/807571247.db2.gz JYSJKXKCPZFKLP-JONQDZQNSA-N 2 1 273.424 3.056 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001169090638 807571250 /nfs/dbraw/zinc/57/12/50/807571250.db2.gz JYSJKXKCPZFKLP-JONQDZQNSA-N 2 1 273.424 3.056 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169095362 807573868 /nfs/dbraw/zinc/57/38/68/807573868.db2.gz PZUOQETVKMQEKS-NNZMDNLPSA-N 2 1 272.436 3.006 20 0 CGADMP Cc1ccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169098458 807575558 /nfs/dbraw/zinc/57/55/58/807575558.db2.gz IHQDYKNYFVTCBZ-OSYLJGHBSA-N 2 1 270.420 3.199 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC1CCCC1)C2 ZINC001169098429 807576755 /nfs/dbraw/zinc/57/67/55/807576755.db2.gz HZSAWAMCDYUYIG-MUJYYYPQSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CCC(F)(F)CC1)C2 ZINC001169108524 807577974 /nfs/dbraw/zinc/57/79/74/807577974.db2.gz APWMVBTXYJHPFJ-QDMKHBRRSA-N 2 1 286.410 3.417 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cccc(Cl)c1F)C2 ZINC001169115347 807581779 /nfs/dbraw/zinc/58/17/79/807581779.db2.gz JCARGAMFKZDGKI-ZSOGYDGISA-N 2 1 296.817 3.236 20 0 CGADMP C[N@@H+](Cc1cccc2cccnc21)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143209 807589647 /nfs/dbraw/zinc/58/96/47/807589647.db2.gz YYWROMJOIBKVOR-BCDXTJNWSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143209 807589649 /nfs/dbraw/zinc/58/96/49/807589649.db2.gz YYWROMJOIBKVOR-BCDXTJNWSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143209 807589651 /nfs/dbraw/zinc/58/96/51/807589651.db2.gz YYWROMJOIBKVOR-BCDXTJNWSA-N 2 1 295.430 3.292 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152180 807594555 /nfs/dbraw/zinc/59/45/55/807594555.db2.gz AAOIFFJUCUWTQM-RUGDWHBFSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152180 807594558 /nfs/dbraw/zinc/59/45/58/807594558.db2.gz AAOIFFJUCUWTQM-RUGDWHBFSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152180 807594560 /nfs/dbraw/zinc/59/45/60/807594560.db2.gz AAOIFFJUCUWTQM-RUGDWHBFSA-N 2 1 270.420 3.058 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001169155592 807595819 /nfs/dbraw/zinc/59/58/19/807595819.db2.gz RWVCDEKHWISUBM-KFESYUHLSA-N 2 1 282.431 3.198 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001169155592 807595823 /nfs/dbraw/zinc/59/58/23/807595823.db2.gz RWVCDEKHWISUBM-KFESYUHLSA-N 2 1 282.431 3.198 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001169155592 807595826 /nfs/dbraw/zinc/59/58/26/807595826.db2.gz RWVCDEKHWISUBM-KFESYUHLSA-N 2 1 282.431 3.198 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccnc(F)c2)C2CC2)CC1 ZINC001258770550 807604397 /nfs/dbraw/zinc/60/43/97/807604397.db2.gz MGMJLRZJOINBNC-QGZVFWFLSA-N 2 1 291.414 3.136 20 0 CGADMP CCCN1CCC([NH2+][C@H]2CC[C@@H]([NH+](CC)CC)CC2)CC1 ZINC001258771195 807604818 /nfs/dbraw/zinc/60/48/18/807604818.db2.gz XSOHRHHMRDNWCP-MAEOIBBWSA-N 2 1 295.515 3.103 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001258771533 807604940 /nfs/dbraw/zinc/60/49/40/807604940.db2.gz IBACIYGBLUZEOV-QGZVFWFLSA-N 2 1 272.436 3.350 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)CC1 ZINC001169241537 807612947 /nfs/dbraw/zinc/61/29/47/807612947.db2.gz PAFNWEVTSNSEGX-WMHQRMGPSA-N 2 1 264.457 3.131 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(Cc3ccccc3F)CCC2)CC1 ZINC001169240877 807613301 /nfs/dbraw/zinc/61/33/01/807613301.db2.gz MNQFRLSSYFSWTM-UHFFFAOYSA-N 2 1 290.426 3.365 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258798791 807620295 /nfs/dbraw/zinc/62/02/95/807620295.db2.gz YUTIGWXVPCGDHO-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258798791 807620298 /nfs/dbraw/zinc/62/02/98/807620298.db2.gz YUTIGWXVPCGDHO-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258798791 807620299 /nfs/dbraw/zinc/62/02/99/807620299.db2.gz YUTIGWXVPCGDHO-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1OC ZINC001258880375 807662238 /nfs/dbraw/zinc/66/22/38/807662238.db2.gz ROCMDVMBQRXWKU-MRXNPFEDSA-N 2 1 292.467 3.338 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC001261254983 807720393 /nfs/dbraw/zinc/72/03/93/807720393.db2.gz IQEOCTWQGOYUCE-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170119410 807765220 /nfs/dbraw/zinc/76/52/20/807765220.db2.gz AELUDRZIFHZMSZ-JOCBIADPSA-N 2 1 287.451 3.342 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccccc1Cl ZINC001170250884 807805358 /nfs/dbraw/zinc/80/53/58/807805358.db2.gz VFAYLNKRHDNJFL-ZDUSSCGKSA-N 2 1 268.832 3.332 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001170288557 807816651 /nfs/dbraw/zinc/81/66/51/807816651.db2.gz PYPPDOWNWHRPJU-ZDUSSCGKSA-N 2 1 289.810 3.026 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001170288557 807816658 /nfs/dbraw/zinc/81/66/58/807816658.db2.gz PYPPDOWNWHRPJU-ZDUSSCGKSA-N 2 1 289.810 3.026 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3Cl)C[C@H]2C1 ZINC001170296094 807819158 /nfs/dbraw/zinc/81/91/58/807819158.db2.gz YTFOAPDTUXPKNK-NUEKZKHPSA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715555 807882005 /nfs/dbraw/zinc/88/20/05/807882005.db2.gz LZGMZFGFUIOEBS-HNNXBMFYSA-N 2 1 296.405 3.096 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170956894 807945606 /nfs/dbraw/zinc/94/56/06/807945606.db2.gz IOAYVRSZTMKYNY-ZBFHGGJFSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171032599 807966696 /nfs/dbraw/zinc/96/66/96/807966696.db2.gz GYIGYIHNRPUTTI-MRRJBJDNSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171032599 807966700 /nfs/dbraw/zinc/96/67/00/807966700.db2.gz GYIGYIHNRPUTTI-MRRJBJDNSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001172100973 808171610 /nfs/dbraw/zinc/17/16/10/808171610.db2.gz VKVGVGRVWIMZPM-XDQVBPFNSA-N 2 1 264.438 3.414 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098997 808171944 /nfs/dbraw/zinc/17/19/44/808171944.db2.gz HSQFKTZSDLXZLZ-JJTUDDRGSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccnc3ccccc13)C2 ZINC001172099349 808172014 /nfs/dbraw/zinc/17/20/14/808172014.db2.gz JMMCCDYTWWAYAM-OSYLJGHBSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C2 ZINC001172099037 808172852 /nfs/dbraw/zinc/17/28/52/808172852.db2.gz HXDJDOQMMNZXQR-FQUUOJAGSA-N 2 1 272.383 3.027 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccncc1)C2 ZINC001172120849 808183500 /nfs/dbraw/zinc/18/35/00/808183500.db2.gz GJBRHUBYUUAQSF-VSZNYVQBSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccncc1)C2 ZINC001172120849 808183503 /nfs/dbraw/zinc/18/35/03/808183503.db2.gz GJBRHUBYUUAQSF-VSZNYVQBSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1ccncc1)C2 ZINC001172120849 808183505 /nfs/dbraw/zinc/18/35/05/808183505.db2.gz GJBRHUBYUUAQSF-VSZNYVQBSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1ccncc1)C2 ZINC001172120849 808183508 /nfs/dbraw/zinc/18/35/08/808183508.db2.gz GJBRHUBYUUAQSF-VSZNYVQBSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129296 808185342 /nfs/dbraw/zinc/18/53/42/808185342.db2.gz YCAKJTWIODEVAS-CBBWQLFWSA-N 2 1 291.464 3.295 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129296 808185347 /nfs/dbraw/zinc/18/53/47/808185347.db2.gz YCAKJTWIODEVAS-CBBWQLFWSA-N 2 1 291.464 3.295 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129296 808185350 /nfs/dbraw/zinc/18/53/50/808185350.db2.gz YCAKJTWIODEVAS-CBBWQLFWSA-N 2 1 291.464 3.295 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129296 808185355 /nfs/dbraw/zinc/18/53/55/808185355.db2.gz YCAKJTWIODEVAS-CBBWQLFWSA-N 2 1 291.464 3.295 20 0 CGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124589 808185856 /nfs/dbraw/zinc/18/58/56/808185856.db2.gz LSCBFJCXMZWZTJ-WNRNVDISSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124589 808185858 /nfs/dbraw/zinc/18/58/58/808185858.db2.gz LSCBFJCXMZWZTJ-WNRNVDISSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124589 808185863 /nfs/dbraw/zinc/18/58/63/808185863.db2.gz LSCBFJCXMZWZTJ-WNRNVDISSA-N 2 1 299.462 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124589 808185865 /nfs/dbraw/zinc/18/58/65/808185865.db2.gz LSCBFJCXMZWZTJ-WNRNVDISSA-N 2 1 299.462 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124589 808185872 /nfs/dbraw/zinc/18/58/72/808185872.db2.gz LSCBFJCXMZWZTJ-WNRNVDISSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129299 808186576 /nfs/dbraw/zinc/18/65/76/808186576.db2.gz YCAKJTWIODEVAS-LXTVHRRPSA-N 2 1 291.464 3.295 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129299 808186581 /nfs/dbraw/zinc/18/65/81/808186581.db2.gz YCAKJTWIODEVAS-LXTVHRRPSA-N 2 1 291.464 3.295 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129299 808186585 /nfs/dbraw/zinc/18/65/85/808186585.db2.gz YCAKJTWIODEVAS-LXTVHRRPSA-N 2 1 291.464 3.295 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129299 808186588 /nfs/dbraw/zinc/18/65/88/808186588.db2.gz YCAKJTWIODEVAS-LXTVHRRPSA-N 2 1 291.464 3.295 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C[C@H]1C ZINC001172375592 808269514 /nfs/dbraw/zinc/26/95/14/808269514.db2.gz DHOYMJMBWYOWTJ-CKEIUWERSA-N 2 1 264.457 3.370 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172403304 808292210 /nfs/dbraw/zinc/29/22/10/808292210.db2.gz LJKNWBGVGSHXBK-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)OCC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436771 808313148 /nfs/dbraw/zinc/31/31/48/808313148.db2.gz IBWBFJWDBSOMKR-ZOBUZTSGSA-N 2 1 282.472 3.314 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)[C@@H](C)C1 ZINC001172654637 808408985 /nfs/dbraw/zinc/40/89/85/808408985.db2.gz JGIPABNRYUWJLI-GOEBONIOSA-N 2 1 296.499 3.431 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001172941218 808490428 /nfs/dbraw/zinc/49/04/28/808490428.db2.gz DNNNFXKEYIBQAO-BSDSXHPESA-N 2 1 294.483 3.283 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001172941218 808490434 /nfs/dbraw/zinc/49/04/34/808490434.db2.gz DNNNFXKEYIBQAO-BSDSXHPESA-N 2 1 294.483 3.283 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001172941218 808490439 /nfs/dbraw/zinc/49/04/39/808490439.db2.gz DNNNFXKEYIBQAO-BSDSXHPESA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001173112202 808513555 /nfs/dbraw/zinc/51/35/55/808513555.db2.gz SQNDMEMEYNYGNA-UHFFFAOYSA-N 3 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+](C)CCCN2CCCC2)CC1 ZINC001173112202 808513557 /nfs/dbraw/zinc/51/35/57/808513557.db2.gz SQNDMEMEYNYGNA-UHFFFAOYSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCCN2CCCC2)CC1 ZINC001173112202 808513560 /nfs/dbraw/zinc/51/35/60/808513560.db2.gz SQNDMEMEYNYGNA-UHFFFAOYSA-N 2 1 295.515 3.057 20 0 CGADMP CC(C)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275097133 808908379 /nfs/dbraw/zinc/90/83/79/808908379.db2.gz ZEMOGWJXNRPXKU-GOSISDBHSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275097133 808908386 /nfs/dbraw/zinc/90/83/86/808908386.db2.gz ZEMOGWJXNRPXKU-GOSISDBHSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275097133 808908391 /nfs/dbraw/zinc/90/83/91/808908391.db2.gz ZEMOGWJXNRPXKU-GOSISDBHSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275097133 808908394 /nfs/dbraw/zinc/90/83/94/808908394.db2.gz ZEMOGWJXNRPXKU-GOSISDBHSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)CC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275096807 808908509 /nfs/dbraw/zinc/90/85/09/808908509.db2.gz TUIZRYXDKKRUFP-UHFFFAOYSA-N 2 1 289.467 3.349 20 0 CGADMP CCCCCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275125599 808912982 /nfs/dbraw/zinc/91/29/82/808912982.db2.gz MLVCHLDNSJFEFK-MRXNPFEDSA-N 2 1 252.446 3.375 20 0 CGADMP CCCCCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275125599 808912985 /nfs/dbraw/zinc/91/29/85/808912985.db2.gz MLVCHLDNSJFEFK-MRXNPFEDSA-N 2 1 252.446 3.375 20 0 CGADMP CCCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275125599 808912991 /nfs/dbraw/zinc/91/29/91/808912991.db2.gz MLVCHLDNSJFEFK-MRXNPFEDSA-N 2 1 252.446 3.375 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC001275931761 808978024 /nfs/dbraw/zinc/97/80/24/808978024.db2.gz PWHLAMYUNRLCNO-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(F)ccc3F)CC2)C1 ZINC001275931761 808978026 /nfs/dbraw/zinc/97/80/26/808978026.db2.gz PWHLAMYUNRLCNO-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001275955922 808979842 /nfs/dbraw/zinc/97/98/42/808979842.db2.gz AEEOAUOLDHBVAL-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276030561 808984420 /nfs/dbraw/zinc/98/44/20/808984420.db2.gz DQOXWMVKAXVKSS-MWDXBVQZSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276030561 808984426 /nfs/dbraw/zinc/98/44/26/808984426.db2.gz DQOXWMVKAXVKSS-MWDXBVQZSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276030561 808984429 /nfs/dbraw/zinc/98/44/29/808984429.db2.gz DQOXWMVKAXVKSS-MWDXBVQZSA-N 2 1 276.468 3.229 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c(C)cc1C ZINC001276025296 808985056 /nfs/dbraw/zinc/98/50/56/808985056.db2.gz MZEULCDLZBQSOB-AYHJJNSGSA-N 2 1 272.436 3.327 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1F ZINC001276229774 808994106 /nfs/dbraw/zinc/99/41/06/808994106.db2.gz CIBRHNDROIFFIW-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1F ZINC001276229774 808994116 /nfs/dbraw/zinc/99/41/16/808994116.db2.gz CIBRHNDROIFFIW-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1F ZINC001276229774 808994122 /nfs/dbraw/zinc/99/41/22/808994122.db2.gz CIBRHNDROIFFIW-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1F ZINC001276229774 808994127 /nfs/dbraw/zinc/99/41/27/808994127.db2.gz CIBRHNDROIFFIW-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1F ZINC001276229775 808994773 /nfs/dbraw/zinc/99/47/73/808994773.db2.gz CIBRHNDROIFFIW-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1F ZINC001276229775 808994775 /nfs/dbraw/zinc/99/47/75/808994775.db2.gz CIBRHNDROIFFIW-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1F ZINC001276229775 808994781 /nfs/dbraw/zinc/99/47/81/808994781.db2.gz CIBRHNDROIFFIW-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1F ZINC001276229775 808994786 /nfs/dbraw/zinc/99/47/86/808994786.db2.gz CIBRHNDROIFFIW-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1)CC(F)(F)F ZINC001278182900 809118556 /nfs/dbraw/zinc/11/85/56/809118556.db2.gz AXNQSFSXGFUNSB-KBPBESRZSA-N 2 1 292.389 3.383 20 0 CGADMP C[C@H](C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1)CC(F)(F)F ZINC001278182900 809118560 /nfs/dbraw/zinc/11/85/60/809118560.db2.gz AXNQSFSXGFUNSB-KBPBESRZSA-N 2 1 292.389 3.383 20 0 CGADMP C[C@H](C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001278182900 809118563 /nfs/dbraw/zinc/11/85/63/809118563.db2.gz AXNQSFSXGFUNSB-KBPBESRZSA-N 2 1 292.389 3.383 20 0 CGADMP COc1[nH+]ccc(N)c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176194800 809644986 /nfs/dbraw/zinc/64/49/86/809644986.db2.gz NVBKRWJBUOUIKL-UHFFFAOYSA-N 2 1 298.390 3.012 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CC(C)C)s2)C1 ZINC001177542645 809806538 /nfs/dbraw/zinc/80/65/38/809806538.db2.gz QPQJTWRQAXEHEF-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CC(C)C)s2)C1 ZINC001177542645 809806545 /nfs/dbraw/zinc/80/65/45/809806545.db2.gz QPQJTWRQAXEHEF-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cnc1Cl ZINC001177742298 809818608 /nfs/dbraw/zinc/81/86/08/809818608.db2.gz HCAJJFCUWRRMDI-CQSZACIVSA-N 2 1 295.858 3.253 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cnc1Cl ZINC001177742298 809818614 /nfs/dbraw/zinc/81/86/14/809818614.db2.gz HCAJJFCUWRRMDI-CQSZACIVSA-N 2 1 295.858 3.253 20 0 CGADMP COc1cc(F)cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC001177949392 809835005 /nfs/dbraw/zinc/83/50/05/809835005.db2.gz PSBGJTDZNIWMCF-UHFFFAOYSA-N 2 1 296.430 3.433 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCC2 ZINC001178387108 809863328 /nfs/dbraw/zinc/86/33/28/809863328.db2.gz SXHMCMIDKAUIOC-CCKFTAQKSA-N 2 1 284.447 3.453 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001178661687 809880613 /nfs/dbraw/zinc/88/06/13/809880613.db2.gz VIWOZVQXKPKXBO-ILXRZTDVSA-N 2 1 270.486 3.125 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001178661687 809880619 /nfs/dbraw/zinc/88/06/19/809880619.db2.gz VIWOZVQXKPKXBO-ILXRZTDVSA-N 2 1 270.486 3.125 20 0 CGADMP CCO[C@H](C[NH2+]C1CCC(C(C)(C)C)CC1)C[NH+](C)C ZINC001179559555 809929539 /nfs/dbraw/zinc/92/95/39/809929539.db2.gz LRAVTFUREJFBGL-UYSNPLJNSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001179818566 809949150 /nfs/dbraw/zinc/94/91/50/809949150.db2.gz YXDIOOQHEMUNBU-OFQRWUPVSA-N 2 1 278.827 3.078 20 0 CGADMP c1cc2c(c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c1)CCC2 ZINC001179878804 809954639 /nfs/dbraw/zinc/95/46/39/809954639.db2.gz STXFEBBDJIEGPN-QGZVFWFLSA-N 2 1 298.474 3.483 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001181514697 810057350 /nfs/dbraw/zinc/05/73/50/810057350.db2.gz LWSDYBBNZQCMFV-OAHLLOKOSA-N 2 1 290.451 3.174 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC001182153027 810095919 /nfs/dbraw/zinc/09/59/19/810095919.db2.gz WEBJVQXUBKBLOY-PMPSAXMXSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC001182153027 810095922 /nfs/dbraw/zinc/09/59/22/810095922.db2.gz WEBJVQXUBKBLOY-PMPSAXMXSA-N 2 1 284.488 3.290 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001182873449 810128668 /nfs/dbraw/zinc/12/86/68/810128668.db2.gz KYKBTTOKJMEBLV-KRWDZBQOSA-N 2 1 274.452 3.248 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001184387446 810196833 /nfs/dbraw/zinc/19/68/33/810196833.db2.gz JYRCHDUUWBTYIH-YHUYYLMFSA-N 2 1 252.446 3.131 20 0 CGADMP Clc1cc2ccccc2c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001190436984 810628752 /nfs/dbraw/zinc/62/87/52/810628752.db2.gz PZWDLBUGMWVNOF-GJZGRUSLSA-N 2 1 286.806 3.144 20 0 CGADMP CC(C)CC[C@@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197193468 811404847 /nfs/dbraw/zinc/40/48/47/811404847.db2.gz BKDBMPYCSMMUDS-GOSISDBHSA-N 2 1 298.515 3.083 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC(C)(C)C1 ZINC001200526112 811709530 /nfs/dbraw/zinc/70/95/30/811709530.db2.gz MLLVRLNLAYFTAO-ULQDDVLXSA-N 2 1 296.499 3.028 20 0 CGADMP CCc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC001200714627 811737643 /nfs/dbraw/zinc/73/76/43/811737643.db2.gz MIJGLGAERDRDRK-UHFFFAOYSA-N 2 1 277.437 3.385 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201417849 811837739 /nfs/dbraw/zinc/83/77/39/811837739.db2.gz JTBBUMAJYVRUJW-SLFFLAALSA-N 2 1 296.458 3.407 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201417849 811837748 /nfs/dbraw/zinc/83/77/48/811837748.db2.gz JTBBUMAJYVRUJW-SLFFLAALSA-N 2 1 296.458 3.407 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4CC=CCC4)C[C@H]3C2)cc1 ZINC001201417849 811837759 /nfs/dbraw/zinc/83/77/59/811837759.db2.gz JTBBUMAJYVRUJW-SLFFLAALSA-N 2 1 296.458 3.407 20 0 CGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201502769 811871846 /nfs/dbraw/zinc/87/18/46/811871846.db2.gz KUVSOGLSHYUCAB-LZQZEXGQSA-N 2 1 286.463 3.405 20 0 CGADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201502769 811871853 /nfs/dbraw/zinc/87/18/53/811871853.db2.gz KUVSOGLSHYUCAB-LZQZEXGQSA-N 2 1 286.463 3.405 20 0 CGADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201502769 811871857 /nfs/dbraw/zinc/87/18/57/811871857.db2.gz KUVSOGLSHYUCAB-LZQZEXGQSA-N 2 1 286.463 3.405 20 0 CGADMP CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201640860 811928205 /nfs/dbraw/zinc/92/82/05/811928205.db2.gz FRDPBSSNXVJXMX-CGTJXYLNSA-N 2 1 287.451 3.024 20 0 CGADMP CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201640860 811928209 /nfs/dbraw/zinc/92/82/09/811928209.db2.gz FRDPBSSNXVJXMX-CGTJXYLNSA-N 2 1 287.451 3.024 20 0 CGADMP CCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201640860 811928216 /nfs/dbraw/zinc/92/82/16/811928216.db2.gz FRDPBSSNXVJXMX-CGTJXYLNSA-N 2 1 287.451 3.024 20 0 CGADMP CCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201640860 811928225 /nfs/dbraw/zinc/92/82/25/811928225.db2.gz FRDPBSSNXVJXMX-CGTJXYLNSA-N 2 1 287.451 3.024 20 0 CGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CC2)CC3)c1 ZINC001201918272 811975462 /nfs/dbraw/zinc/97/54/62/811975462.db2.gz HHQNNRCOWDKXMW-UHFFFAOYSA-N 2 1 290.476 3.446 20 0 CGADMP CCO[C@H](C[NH2+]C[C@H](C)CC1CCCCC1)C[NH+](C)C ZINC001203633915 812412871 /nfs/dbraw/zinc/41/28/71/812412871.db2.gz KOLWDWWLTLETJE-NVXWUHKLSA-N 2 1 284.488 3.149 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(O)c1 ZINC001203863784 812475642 /nfs/dbraw/zinc/47/56/42/812475642.db2.gz LNLDJMLSPQTYSU-DLBZAZTESA-N 2 1 288.435 3.231 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC001203863784 812475649 /nfs/dbraw/zinc/47/56/49/812475649.db2.gz LNLDJMLSPQTYSU-DLBZAZTESA-N 2 1 288.435 3.231 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC001203863784 812475657 /nfs/dbraw/zinc/47/56/57/812475657.db2.gz LNLDJMLSPQTYSU-DLBZAZTESA-N 2 1 288.435 3.231 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC001204355584 812619260 /nfs/dbraw/zinc/61/92/60/812619260.db2.gz OIEJUVDTFWZALJ-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP Fc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204660489 812702425 /nfs/dbraw/zinc/70/24/25/812702425.db2.gz BQBFKUZBHJRVJS-UHFFFAOYSA-N 2 1 284.378 3.288 20 0 CGADMP Fc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204660489 812702429 /nfs/dbraw/zinc/70/24/29/812702429.db2.gz BQBFKUZBHJRVJS-UHFFFAOYSA-N 2 1 284.378 3.288 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001204727901 812719108 /nfs/dbraw/zinc/71/91/08/812719108.db2.gz VJBXXMCGTHZHPB-IAGOWNOFSA-N 2 1 276.468 3.444 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2c1 ZINC001204734663 812720853 /nfs/dbraw/zinc/72/08/53/812720853.db2.gz AOJGTYOWJPSZDW-UHFFFAOYSA-N 2 1 297.446 3.442 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001204848802 812752957 /nfs/dbraw/zinc/75/29/57/812752957.db2.gz USEBLBMIJBPCMD-IBGZPJMESA-N 2 1 295.430 3.237 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC2(F)CC[NH2+]CC2)c1 ZINC001204847809 812753383 /nfs/dbraw/zinc/75/33/83/812753383.db2.gz GZROXDJOXPNKNG-INIZCTEOSA-N 2 1 276.399 3.224 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001204918822 812775698 /nfs/dbraw/zinc/77/56/98/812775698.db2.gz NBUDOSLYFRVCSQ-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001204918822 812775705 /nfs/dbraw/zinc/77/57/05/812775705.db2.gz NBUDOSLYFRVCSQ-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP Cc1c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cccc1C(F)(F)F ZINC001205109644 812871337 /nfs/dbraw/zinc/87/13/37/812871337.db2.gz ITMRAVDTYPTTNZ-CYBMUJFWSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@@H]([NH3+])CC2)cccc1C(F)(F)F ZINC001205109644 812871344 /nfs/dbraw/zinc/87/13/44/812871344.db2.gz ITMRAVDTYPTTNZ-CYBMUJFWSA-N 2 1 286.341 3.327 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001205124341 812875700 /nfs/dbraw/zinc/87/57/00/812875700.db2.gz ONMGJHJWBWEZIK-MRXNPFEDSA-N 2 1 299.393 3.201 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1OC(C)C ZINC001205124116 812876464 /nfs/dbraw/zinc/87/64/64/812876464.db2.gz KKULVHMWTSPCML-INIZCTEOSA-N 2 1 276.424 3.095 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)Cc2ccccc21 ZINC001205164366 812893276 /nfs/dbraw/zinc/89/32/76/812893276.db2.gz DPLWDSPEMYKWRK-OAHLLOKOSA-N 2 1 292.426 3.452 20 0 CGADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCCCCCCCCCC2)C1 ZINC001205237752 812914951 /nfs/dbraw/zinc/91/49/51/812914951.db2.gz ONNMSRSNLOLZHK-SFHVURJKSA-N 2 1 296.499 3.316 20 0 CGADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCCCCCCCCCC2)C1 ZINC001205237752 812914959 /nfs/dbraw/zinc/91/49/59/812914959.db2.gz ONNMSRSNLOLZHK-SFHVURJKSA-N 2 1 296.499 3.316 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001205264796 812922377 /nfs/dbraw/zinc/92/23/77/812922377.db2.gz MRDCWBDBYUIXAH-LBPRGKRZSA-N 2 1 258.818 3.105 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001205264796 812922382 /nfs/dbraw/zinc/92/23/82/812922382.db2.gz MRDCWBDBYUIXAH-LBPRGKRZSA-N 2 1 258.818 3.105 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264776 812922414 /nfs/dbraw/zinc/92/24/14/812922414.db2.gz MEHJWZCUMCFBNC-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205273849 812925899 /nfs/dbraw/zinc/92/58/99/812925899.db2.gz QDLWAGASWWICGS-QGZVFWFLSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC001205297049 812937172 /nfs/dbraw/zinc/93/71/72/812937172.db2.gz XWNLLGLTPOIUGQ-ZFWWWQNUSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C[C@H]1C[NH3+] ZINC001205303357 812940512 /nfs/dbraw/zinc/94/05/12/812940512.db2.gz CVIHFSQDKONFNA-DNVCBOLYSA-N 2 1 295.430 3.165 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205331990 812958644 /nfs/dbraw/zinc/95/86/44/812958644.db2.gz LMVYZMOXJHYOSG-HNNXBMFYSA-N 2 1 268.404 3.332 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@H]3C)cc2)o1 ZINC001205333205 812960163 /nfs/dbraw/zinc/96/01/63/812960163.db2.gz XTAFTORPPQWONM-CQSZACIVSA-N 2 1 284.403 3.439 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@H]3C)cc2)o1 ZINC001205333205 812960168 /nfs/dbraw/zinc/96/01/68/812960168.db2.gz XTAFTORPPQWONM-CQSZACIVSA-N 2 1 284.403 3.439 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC001205535033 812996820 /nfs/dbraw/zinc/99/68/20/812996820.db2.gz BIMMODSDGDYNRS-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570553 813007460 /nfs/dbraw/zinc/00/74/60/813007460.db2.gz LNKKEUBNAADVDG-OAHLLOKOSA-N 2 1 282.428 3.061 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205590981 813015447 /nfs/dbraw/zinc/01/54/47/813015447.db2.gz ACGVPRYUJMLIHG-QGZVFWFLSA-N 2 1 278.415 3.463 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2ccccc2F)CC[C@H]1C[NH3+] ZINC001205601338 813017277 /nfs/dbraw/zinc/01/72/77/813017277.db2.gz DPBJFRLABROCQL-HOCLYGCPSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)CC[C@H]1C[NH3+] ZINC001205616429 813027181 /nfs/dbraw/zinc/02/71/81/813027181.db2.gz FLKJTYFMLXUWTM-CABCVRRESA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205618583 813028256 /nfs/dbraw/zinc/02/82/56/813028256.db2.gz XIJBBVWKYNKEJO-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3scnc3c2)CC[C@@H]1C[NH3+] ZINC001205626848 813033302 /nfs/dbraw/zinc/03/33/02/813033302.db2.gz JUNRXNOBRBOEMQ-TZMCWYRMSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2-n2cccc2)CC[C@H]1C[NH3+] ZINC001205637507 813036427 /nfs/dbraw/zinc/03/64/27/813036427.db2.gz HQLWIMZKBGWRHT-IRXDYDNUSA-N 2 1 297.446 3.284 20 0 CGADMP Cc1c(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1F ZINC001205638739 813038983 /nfs/dbraw/zinc/03/89/83/813038983.db2.gz RLBVLDNSGTUGOG-SMDDNHRTSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)c[nH]2)CC[C@@H]1C[NH3+] ZINC001205651360 813041252 /nfs/dbraw/zinc/04/12/52/813041252.db2.gz CXVBMYRQZYMPJP-ZIAGYGMSSA-N 2 1 277.456 3.119 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1NCC ZINC001205695946 813054486 /nfs/dbraw/zinc/05/44/86/813054486.db2.gz CINGLIKPBCCTIV-UHFFFAOYSA-N 2 1 277.456 3.282 20 0 CGADMP COc1ccc2cc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])ccc2c1 ZINC001205805804 813086719 /nfs/dbraw/zinc/08/67/19/813086719.db2.gz RWBAPPOFLUXIFN-RDTXWAMCSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])ccc2c1 ZINC001205805804 813086729 /nfs/dbraw/zinc/08/67/29/813086729.db2.gz RWBAPPOFLUXIFN-RDTXWAMCSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3C[C@@H](C)CC[C@@H]3CN)c21 ZINC001205818211 813094602 /nfs/dbraw/zinc/09/46/02/813094602.db2.gz SOFLBCNWXFYSEB-SWLSCSKDSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c21 ZINC001205818211 813094607 /nfs/dbraw/zinc/09/46/07/813094607.db2.gz SOFLBCNWXFYSEB-SWLSCSKDSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c21 ZINC001205818211 813094613 /nfs/dbraw/zinc/09/46/13/813094613.db2.gz SOFLBCNWXFYSEB-SWLSCSKDSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2csc3ccccc23)C1 ZINC001205828196 813100201 /nfs/dbraw/zinc/10/02/01/813100201.db2.gz KAZDELSMWMKSNR-JSGCOSHPSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2csc3ccccc23)C1 ZINC001205828196 813100208 /nfs/dbraw/zinc/10/02/08/813100208.db2.gz KAZDELSMWMKSNR-JSGCOSHPSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001205829120 813100821 /nfs/dbraw/zinc/10/08/21/813100821.db2.gz OBIUASMUMVDZID-MAUKXSAKSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001205829120 813100824 /nfs/dbraw/zinc/10/08/24/813100824.db2.gz OBIUASMUMVDZID-MAUKXSAKSA-N 2 1 283.419 3.037 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895886 813121441 /nfs/dbraw/zinc/12/14/41/813121441.db2.gz OSXVVMNPTJHTKL-RRFJBIMHSA-N 2 1 256.409 3.130 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895886 813121443 /nfs/dbraw/zinc/12/14/43/813121443.db2.gz OSXVVMNPTJHTKL-RRFJBIMHSA-N 2 1 256.409 3.130 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c2ccccc12 ZINC001205903646 813125783 /nfs/dbraw/zinc/12/57/83/813125783.db2.gz QNXVFXFLHCNCTR-HUUCEWRRSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912768 813129772 /nfs/dbraw/zinc/12/97/72/813129772.db2.gz CDKUTEUBTKNVTG-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2c1CCCC2 ZINC001205915619 813130934 /nfs/dbraw/zinc/13/09/34/813130934.db2.gz QAVRBEZVMPRILM-HOCLYGCPSA-N 2 1 272.436 3.125 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205991840 813155471 /nfs/dbraw/zinc/15/54/71/813155471.db2.gz CROGUXYTRIFXGR-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC001205993054 813155569 /nfs/dbraw/zinc/15/55/69/813155569.db2.gz GVDXCGUVDLYZQC-HUUCEWRRSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CCC[C@H]1C[NH3+] ZINC001205993669 813155723 /nfs/dbraw/zinc/15/57/23/813155723.db2.gz IGRSKQFNIJRKJW-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CCC[C@H]1C[NH3+] ZINC001205994918 813156369 /nfs/dbraw/zinc/15/63/69/813156369.db2.gz NFKUGXZSOLBCIN-CABCVRRESA-N 2 1 283.419 3.042 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205994422 813157366 /nfs/dbraw/zinc/15/73/66/813157366.db2.gz LMVWBUYAMOGRDW-DOTOQJQBSA-N 2 1 290.451 3.282 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc(F)ccc23)CCC[C@@H]1C[NH3+] ZINC001205996005 813157383 /nfs/dbraw/zinc/15/73/83/813157383.db2.gz SYGPPIUBSZEJPY-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1C[N@@H+](Cc2sccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205996734 813158146 /nfs/dbraw/zinc/15/81/46/813158146.db2.gz XZLMAKNGZNASBS-WDEREUQCSA-N 2 1 272.845 3.208 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206003761 813160902 /nfs/dbraw/zinc/16/09/02/813160902.db2.gz MHKDKJODKPCMRN-ZIAGYGMSSA-N 2 1 280.843 3.455 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003278 813161369 /nfs/dbraw/zinc/16/13/69/813161369.db2.gz GHRKOUCINIMDRZ-HZPDHXFCSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cncc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206003453 813161428 /nfs/dbraw/zinc/16/14/28/813161428.db2.gz IECHKMCZUVLEBC-LSDHHAIUSA-N 2 1 283.419 3.042 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)cc21 ZINC001206004974 813162925 /nfs/dbraw/zinc/16/29/25/813162925.db2.gz WDMHGSUGSKTLSQ-CRAIPNDOSA-N 2 1 299.462 3.468 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC001206014518 813166439 /nfs/dbraw/zinc/16/64/39/813166439.db2.gz XEAWPAVKORGSEK-HOTGVXAUSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206014011 813166637 /nfs/dbraw/zinc/16/66/37/813166637.db2.gz UZVPJGRTDVNHGL-PWSUYJOCSA-N 2 1 272.845 3.208 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206021649 813168980 /nfs/dbraw/zinc/16/89/80/813168980.db2.gz APNGWXRHKUFJPM-GXTWGEPZSA-N 2 1 280.843 3.455 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206024401 813169186 /nfs/dbraw/zinc/16/91/86/813169186.db2.gz JKRCMTKWEYVWCJ-DOTOQJQBSA-N 2 1 274.452 3.364 20 0 CGADMP Cc1cccc2c1C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001206081430 813194628 /nfs/dbraw/zinc/19/46/28/813194628.db2.gz MILDJUKFDOFZJF-UHFFFAOYSA-N 2 1 278.399 3.157 20 0 CGADMP N[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[C@H]1F ZINC001206153704 813215560 /nfs/dbraw/zinc/21/55/60/813215560.db2.gz FDLQTANCFOYSDC-ARLBYUKCSA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[C@H]1F ZINC001206153704 813215567 /nfs/dbraw/zinc/21/55/67/813215567.db2.gz FDLQTANCFOYSDC-ARLBYUKCSA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[C@H]1F ZINC001206153704 813215568 /nfs/dbraw/zinc/21/55/68/813215568.db2.gz FDLQTANCFOYSDC-ARLBYUKCSA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[C@@H]1F ZINC001206176137 813227283 /nfs/dbraw/zinc/22/72/83/813227283.db2.gz YJFPLZLUCSECIK-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[C@@H]1F ZINC001206176137 813227290 /nfs/dbraw/zinc/22/72/90/813227290.db2.gz YJFPLZLUCSECIK-KBPBESRZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[C@H]1F ZINC001206176139 813228214 /nfs/dbraw/zinc/22/82/14/813228214.db2.gz YJFPLZLUCSECIK-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[C@H]1F ZINC001206176139 813228218 /nfs/dbraw/zinc/22/82/18/813228218.db2.gz YJFPLZLUCSECIK-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206196064 813234666 /nfs/dbraw/zinc/23/46/66/813234666.db2.gz APOFJHDHDWLSQL-JKSUJKDBSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001206257947 813260202 /nfs/dbraw/zinc/26/02/02/813260202.db2.gz NWPHWCVKAGKQFO-DUVNUKRYSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc2sccc21 ZINC001206263069 813262789 /nfs/dbraw/zinc/26/27/89/813262789.db2.gz NFOLFTUCHLFUTD-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc2sccc21 ZINC001206263069 813262793 /nfs/dbraw/zinc/26/27/93/813262793.db2.gz NFOLFTUCHLFUTD-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC001206304405 813280424 /nfs/dbraw/zinc/28/04/24/813280424.db2.gz KBTBXXDFGHQFEO-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(F)c2F)CC1 ZINC001206304551 813281251 /nfs/dbraw/zinc/28/12/51/813281251.db2.gz MKERNHJMGUECDQ-OAHLLOKOSA-N 2 1 286.341 3.055 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)[nH]1 ZINC001206304511 813282088 /nfs/dbraw/zinc/28/20/88/813282088.db2.gz LURLCEICUXHZDG-QGZVFWFLSA-N 2 1 277.456 3.263 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001206304889 813282244 /nfs/dbraw/zinc/28/22/44/813282244.db2.gz QNFZTTSDHDKPTF-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1F ZINC001206304667 813282258 /nfs/dbraw/zinc/28/22/58/813282258.db2.gz NQBYRQLHAFASRL-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311894 813283903 /nfs/dbraw/zinc/28/39/03/813283903.db2.gz WNJWERAPXOMGRA-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc(C)c1F ZINC001206311594 813284514 /nfs/dbraw/zinc/28/45/14/813284514.db2.gz QYYDVOGLKOCOLD-QGZVFWFLSA-N 2 1 278.415 3.393 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311454 813284620 /nfs/dbraw/zinc/28/46/20/813284620.db2.gz OWOXTBJVFKETTM-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccn1 ZINC001206317546 813287305 /nfs/dbraw/zinc/28/73/05/813287305.db2.gz GTJSQCCHPKWLLG-GOSISDBHSA-N 2 1 289.467 3.330 20 0 CGADMP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206326303 813290157 /nfs/dbraw/zinc/29/01/57/813290157.db2.gz MOKWMIJLQYIERX-KRWDZBQOSA-N 2 1 294.414 3.094 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)c21 ZINC001206352086 813299910 /nfs/dbraw/zinc/29/99/10/813299910.db2.gz NWDKKAOMQHCOKO-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)c21 ZINC001206352086 813299918 /nfs/dbraw/zinc/29/99/18/813299918.db2.gz NWDKKAOMQHCOKO-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC001206542057 813344710 /nfs/dbraw/zinc/34/47/10/813344710.db2.gz QGWJQGYZYHUGOU-DOTOQJQBSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542359 813345263 /nfs/dbraw/zinc/34/52/63/813345263.db2.gz ZCJANISQVVESTD-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206549952 813348480 /nfs/dbraw/zinc/34/84/80/813348480.db2.gz RXGKPJJWHFBAGA-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001206550135 813349251 /nfs/dbraw/zinc/34/92/51/813349251.db2.gz WBEUTJUDEZKZFH-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001206550135 813349260 /nfs/dbraw/zinc/34/92/60/813349260.db2.gz WBEUTJUDEZKZFH-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)ccc2n1 ZINC001206556724 813351347 /nfs/dbraw/zinc/35/13/47/813351347.db2.gz WBPSLTNLNBKTQP-LJQANCHMSA-N 2 1 297.446 3.494 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)cc1F ZINC001206563870 813354443 /nfs/dbraw/zinc/35/44/43/813354443.db2.gz JIMHAJNXLAEFHR-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)cc1F ZINC001206563870 813354447 /nfs/dbraw/zinc/35/44/47/813354447.db2.gz JIMHAJNXLAEFHR-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001206572639 813360006 /nfs/dbraw/zinc/36/00/06/813360006.db2.gz FUQYNMCUTDOQHH-SFHVURJKSA-N 2 1 298.434 3.028 20 0 CGADMP Cc1ccsc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206581515 813361331 /nfs/dbraw/zinc/36/13/31/813361331.db2.gz JTHXZXYKOBNCBE-CQSZACIVSA-N 2 1 266.454 3.409 20 0 CGADMP COc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206579843 813362627 /nfs/dbraw/zinc/36/26/27/813362627.db2.gz AAXZPICJNRAXEV-OAHLLOKOSA-N 2 1 294.414 3.187 20 0 CGADMP COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206579843 813362633 /nfs/dbraw/zinc/36/26/33/813362633.db2.gz AAXZPICJNRAXEV-OAHLLOKOSA-N 2 1 294.414 3.187 20 0 CGADMP COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC001206589936 813365726 /nfs/dbraw/zinc/36/57/26/813365726.db2.gz IXWIWPOEVUVRRC-QGZVFWFLSA-N 2 1 290.451 3.356 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc2c1 ZINC001206615096 813375132 /nfs/dbraw/zinc/37/51/32/813375132.db2.gz BXQVPHHAFKVCRB-ZDUSSCGKSA-N 2 1 288.391 3.002 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1Cl ZINC001206623267 813377450 /nfs/dbraw/zinc/37/74/50/813377450.db2.gz KPNXOMKXAXCOOQ-CQSZACIVSA-N 2 1 266.816 3.209 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001206624374 813378734 /nfs/dbraw/zinc/37/87/34/813378734.db2.gz VGZCERXFRANVPW-KRWDZBQOSA-N 2 1 295.430 3.309 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001206640739 813383182 /nfs/dbraw/zinc/38/31/82/813383182.db2.gz MCUXDBRTACXQNE-MRXNPFEDSA-N 2 1 295.430 3.309 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cc21 ZINC001206768547 813430521 /nfs/dbraw/zinc/43/05/21/813430521.db2.gz KJBWQZALAFRLAT-GOEBONIOSA-N 2 1 285.435 3.220 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206769242 813432496 /nfs/dbraw/zinc/43/24/96/813432496.db2.gz NNPYUOUDYJXUIY-TZMCWYRMSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206769242 813432498 /nfs/dbraw/zinc/43/24/98/813432498.db2.gz NNPYUOUDYJXUIY-TZMCWYRMSA-N 2 1 296.842 3.298 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206806681 813441661 /nfs/dbraw/zinc/44/16/61/813441661.db2.gz HEROSNSZAQVFQW-ZIAGYGMSSA-N 2 1 278.465 3.276 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001206812548 813445428 /nfs/dbraw/zinc/44/54/28/813445428.db2.gz ZNAHYFDNJOVBSA-GXTWGEPZSA-N 2 1 276.399 3.262 20 0 CGADMP Cc1ncsc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001206990647 813461420 /nfs/dbraw/zinc/46/14/20/813461420.db2.gz ZXEDDFDWWOVMGB-HNNXBMFYSA-N 2 1 293.480 3.292 20 0 CGADMP Cc1ncsc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001206990647 813461425 /nfs/dbraw/zinc/46/14/25/813461425.db2.gz ZXEDDFDWWOVMGB-HNNXBMFYSA-N 2 1 293.480 3.292 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207274429 813528695 /nfs/dbraw/zinc/52/86/95/813528695.db2.gz CDGCHOXZQHGZFL-CQSZACIVSA-N 2 1 260.425 3.194 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C1(C)C ZINC001207275423 813530184 /nfs/dbraw/zinc/53/01/84/813530184.db2.gz IVXFQEDCSPVGJG-GVDBMIGSSA-N 2 1 276.468 3.395 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001207282618 813534419 /nfs/dbraw/zinc/53/44/19/813534419.db2.gz MCYMWCLALAVXPK-OAHLLOKOSA-N 2 1 278.415 3.203 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001207285474 813535313 /nfs/dbraw/zinc/53/53/13/813535313.db2.gz LKKDYIFMEGSDHS-UHFFFAOYSA-N 2 1 268.832 3.360 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001207285474 813535321 /nfs/dbraw/zinc/53/53/21/813535321.db2.gz LKKDYIFMEGSDHS-UHFFFAOYSA-N 2 1 268.832 3.360 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC001207398754 813557012 /nfs/dbraw/zinc/55/70/12/813557012.db2.gz MTCPGMCLYWNQOI-SFHVURJKSA-N 2 1 288.435 3.174 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC001207486601 813573976 /nfs/dbraw/zinc/57/39/76/813573976.db2.gz LJZBYPXUTWUIJK-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP C[NH+]1CCC(CC[N@@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001207487471 813574090 /nfs/dbraw/zinc/57/40/90/813574090.db2.gz KDODQBRNWPRFBE-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001207487471 813574096 /nfs/dbraw/zinc/57/40/96/813574096.db2.gz KDODQBRNWPRFBE-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001207487140 813574297 /nfs/dbraw/zinc/57/42/97/813574297.db2.gz QYLQYPACDBJDIX-QGZVFWFLSA-N 2 1 258.409 3.165 20 0 CGADMP CCC[N@H+](CCCc1ccccc1F)CCC[NH+](C)C ZINC001207496946 813578543 /nfs/dbraw/zinc/57/85/43/813578543.db2.gz SJAXTBUEYFXAPK-UHFFFAOYSA-N 2 1 280.431 3.422 20 0 CGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001207838142 813658041 /nfs/dbraw/zinc/65/80/41/813658041.db2.gz WIQITCZOEIIEMI-IGKNDFSCSA-N 2 1 276.468 3.441 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CC3(c4ccccc4)CC3)C2)CC1 ZINC001207839469 813659735 /nfs/dbraw/zinc/65/97/35/813659735.db2.gz PAEBJKIFDFEHLJ-UHFFFAOYSA-N 2 1 284.447 3.136 20 0 CGADMP Cc1cccc2c1CC[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208105830 813693633 /nfs/dbraw/zinc/69/36/33/813693633.db2.gz CJESZPOJMVJSGI-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP CC(C)c1nc(C[N@H+](C)CC2(C)CC[NH+](C)CC2)cs1 ZINC001208112949 813694683 /nfs/dbraw/zinc/69/46/83/813694683.db2.gz CNUSWZWQKDAASM-UHFFFAOYSA-N 2 1 295.496 3.430 20 0 CGADMP CC(C)c1nc(C[N@@H+](C)CC2(C)CC[NH+](C)CC2)cs1 ZINC001208112949 813694687 /nfs/dbraw/zinc/69/46/87/813694687.db2.gz CNUSWZWQKDAASM-UHFFFAOYSA-N 2 1 295.496 3.430 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001208114069 813696099 /nfs/dbraw/zinc/69/60/99/813696099.db2.gz QTVWNIISDIPKOP-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](C)CC1(C[N@H+](C)Cc2cccc(F)c2)CCCC1 ZINC001208183435 813732981 /nfs/dbraw/zinc/73/29/81/813732981.db2.gz DDINGSWNTUIBGX-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)Cc2cccc(F)c2)CCCC1 ZINC001208183435 813732985 /nfs/dbraw/zinc/73/29/85/813732985.db2.gz DDINGSWNTUIBGX-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208603387 813770515 /nfs/dbraw/zinc/77/05/15/813770515.db2.gz COJBTMWMMSCRDM-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208603387 813770519 /nfs/dbraw/zinc/77/05/19/813770519.db2.gz COJBTMWMMSCRDM-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208603387 813770521 /nfs/dbraw/zinc/77/05/21/813770521.db2.gz COJBTMWMMSCRDM-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208603387 813770525 /nfs/dbraw/zinc/77/05/25/813770525.db2.gz COJBTMWMMSCRDM-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001208600917 813771718 /nfs/dbraw/zinc/77/17/18/813771718.db2.gz FTZZDDMLQASSPV-CALCHBBNSA-N 2 1 284.447 3.305 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608347 813774384 /nfs/dbraw/zinc/77/43/84/813774384.db2.gz HKOFYLSUDVOWGQ-CABCVRRESA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608347 813774387 /nfs/dbraw/zinc/77/43/87/813774387.db2.gz HKOFYLSUDVOWGQ-CABCVRRESA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608347 813774393 /nfs/dbraw/zinc/77/43/93/813774393.db2.gz HKOFYLSUDVOWGQ-CABCVRRESA-N 2 1 292.854 3.471 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCSC[C@H]2c2ccccc2)C1 ZINC001208612339 813775354 /nfs/dbraw/zinc/77/53/54/813775354.db2.gz MMGNJEZZJUTSCL-RDJZCZTQSA-N 2 1 290.476 3.118 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCSC[C@H]2c2ccccc2)C1 ZINC001208612339 813775357 /nfs/dbraw/zinc/77/53/57/813775357.db2.gz MMGNJEZZJUTSCL-RDJZCZTQSA-N 2 1 290.476 3.118 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001208612339 813775361 /nfs/dbraw/zinc/77/53/61/813775361.db2.gz MMGNJEZZJUTSCL-RDJZCZTQSA-N 2 1 290.476 3.118 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001208612339 813775366 /nfs/dbraw/zinc/77/53/66/813775366.db2.gz MMGNJEZZJUTSCL-RDJZCZTQSA-N 2 1 290.476 3.118 20 0 CGADMP COc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001208618177 813776941 /nfs/dbraw/zinc/77/69/41/813776941.db2.gz SBJTUPSYLYXMHC-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001208618177 813776947 /nfs/dbraw/zinc/77/69/47/813776947.db2.gz SBJTUPSYLYXMHC-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208618177 813776954 /nfs/dbraw/zinc/77/69/54/813776954.db2.gz SBJTUPSYLYXMHC-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208618177 813776960 /nfs/dbraw/zinc/77/69/60/813776960.db2.gz SBJTUPSYLYXMHC-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP CC[N@@H+](CCCc1ccccc1OC)C1CCN(C)CC1 ZINC001208839499 813862330 /nfs/dbraw/zinc/86/23/30/813862330.db2.gz NZCGFQZVYKFHLL-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP C[N@@H+]1CC=C(Nc2ccccc2C[NH+]2CCCCC2)CC1 ZINC001208844699 813864997 /nfs/dbraw/zinc/86/49/97/813864997.db2.gz UPTUSEFDWXWIMB-UHFFFAOYSA-N 2 1 285.435 3.304 20 0 CGADMP C[N@@H+](C[C@H]1CCC=CO1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208884232 813880805 /nfs/dbraw/zinc/88/08/05/813880805.db2.gz DVJCOWIXVWVMCP-GOSISDBHSA-N 2 1 292.467 3.408 20 0 CGADMP CC1(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCCCC1 ZINC001208901344 813890802 /nfs/dbraw/zinc/89/08/02/813890802.db2.gz ZXPWJPFTDFWJQP-UHFFFAOYSA-N 2 1 276.468 3.375 20 0 CGADMP CC1(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCCCC1 ZINC001208901344 813890813 /nfs/dbraw/zinc/89/08/13/813890813.db2.gz ZXPWJPFTDFWJQP-UHFFFAOYSA-N 2 1 276.468 3.375 20 0 CGADMP Cc1[nH+]c(N)ccc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242692550 823101906 /nfs/dbraw/zinc/10/19/06/823101906.db2.gz FZMPDSYPBCKARR-CQSZACIVSA-N 2 1 257.381 3.004 20 0 CGADMP Cc1cc(N)[nH+]cc1Nc1ccccc1C[NH+]1CCCC1 ZINC001209968435 814219779 /nfs/dbraw/zinc/21/97/79/814219779.db2.gz ZEFCFCUJXJUARH-UHFFFAOYSA-N 2 1 282.391 3.312 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210495681 814489428 /nfs/dbraw/zinc/48/94/28/814489428.db2.gz AAZMOLNIVHJYQT-HNNXBMFYSA-N 2 1 260.425 3.213 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210495681 814489430 /nfs/dbraw/zinc/48/94/30/814489430.db2.gz AAZMOLNIVHJYQT-HNNXBMFYSA-N 2 1 260.425 3.213 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[NH2+][C@H](C)CC2)c(C)c1C ZINC001210497932 814490161 /nfs/dbraw/zinc/49/01/61/814490161.db2.gz PUKFBNUKJPMCJA-GFCCVEGCSA-N 2 1 274.452 3.413 20 0 CGADMP CC[C@H]([NH3+])C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC001210520365 814506699 /nfs/dbraw/zinc/50/66/99/814506699.db2.gz YNFOKKMYIMEHQG-HNNXBMFYSA-N 2 1 266.816 3.257 20 0 CGADMP Oc1cc2ccccc2c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222154268 816361269 /nfs/dbraw/zinc/36/12/69/816361269.db2.gz JJEUENULOPMOAJ-IBGZPJMESA-N 2 1 296.414 3.121 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154425 816362810 /nfs/dbraw/zinc/36/28/10/816362810.db2.gz LSFLAAIDONHWDM-GOSISDBHSA-N 2 1 272.436 3.133 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222160593 816366241 /nfs/dbraw/zinc/36/62/41/816366241.db2.gz GLYNZQDGZYNZPS-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222160593 816366247 /nfs/dbraw/zinc/36/62/47/816366247.db2.gz GLYNZQDGZYNZPS-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001222231860 816379291 /nfs/dbraw/zinc/37/92/91/816379291.db2.gz QCGMNMFGHMSBAG-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001222231857 816380193 /nfs/dbraw/zinc/38/01/93/816380193.db2.gz QCGMNMFGHMSBAG-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001222264470 816390420 /nfs/dbraw/zinc/39/04/20/816390420.db2.gz AUEIYQYHRWEDHP-LJQANCHMSA-N 2 1 297.446 3.442 20 0 CGADMP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265304 816390710 /nfs/dbraw/zinc/39/07/10/816390710.db2.gz QYEJAUAYERJNBM-GOSISDBHSA-N 2 1 283.419 3.134 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265304 816390719 /nfs/dbraw/zinc/39/07/19/816390719.db2.gz QYEJAUAYERJNBM-GOSISDBHSA-N 2 1 283.419 3.134 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308684 816403333 /nfs/dbraw/zinc/40/33/33/816403333.db2.gz LFTZTXTZRNVMLP-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222308017 816403540 /nfs/dbraw/zinc/40/35/40/816403540.db2.gz FJUKIMYULNFROL-KRWDZBQOSA-N 2 1 258.409 3.103 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(C)c1 ZINC001222315249 816406162 /nfs/dbraw/zinc/40/61/62/816406162.db2.gz LTOFUZOKEKNSEO-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335360 816411014 /nfs/dbraw/zinc/41/10/14/816411014.db2.gz ISMGHLXWUWAABD-HOCLYGCPSA-N 2 1 290.838 3.129 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222465545 816450969 /nfs/dbraw/zinc/45/09/69/816450969.db2.gz TZLBAFXEDMXETB-PVAVHDDUSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222465545 816450973 /nfs/dbraw/zinc/45/09/73/816450973.db2.gz TZLBAFXEDMXETB-PVAVHDDUSA-N 2 1 290.838 3.271 20 0 CGADMP c1ccc([C@H]2C[N@H+](CC3CCCCC3)CC23C[NH2+]C3)cc1 ZINC001222595507 816474096 /nfs/dbraw/zinc/47/40/96/816474096.db2.gz BTDGHAJLDSDOAR-GOSISDBHSA-N 2 1 284.447 3.256 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3SC)C[C@H]2C1 ZINC001231787551 818176315 /nfs/dbraw/zinc/17/63/15/818176315.db2.gz OIIVZIZXXDFEQX-HZPDHXFCSA-N 2 1 290.476 3.182 20 0 CGADMP CC(C)Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001231787245 818177213 /nfs/dbraw/zinc/17/72/13/818177213.db2.gz VMSGDICPFZLZHQ-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001231787245 818177220 /nfs/dbraw/zinc/17/72/20/818177220.db2.gz VMSGDICPFZLZHQ-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@@H]1C ZINC001232010772 818233705 /nfs/dbraw/zinc/23/37/05/818233705.db2.gz AAPNSZHVIYHOGU-STQMWFEESA-N 2 1 257.381 3.431 20 0 CGADMP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)CC1CC(F)(F)C1 ZINC001232016141 818235323 /nfs/dbraw/zinc/23/53/23/818235323.db2.gz RKVDOOZRJDKJJC-UHFFFAOYSA-N 2 1 265.307 3.040 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC001232146551 818264546 /nfs/dbraw/zinc/26/45/46/818264546.db2.gz TWZHJVIDGPLSII-HNNXBMFYSA-N 2 1 298.352 3.118 20 0 CGADMP C[N@H+](Cc1cccc2c1CCCC2)C1CC[NH+](C)CC1 ZINC001232634564 818406809 /nfs/dbraw/zinc/40/68/09/818406809.db2.gz OANYJXYFGPOOAS-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP C[N@@H+](Cc1cccc2c1CCCC2)C1CC[NH+](C)CC1 ZINC001232634564 818406815 /nfs/dbraw/zinc/40/68/15/818406815.db2.gz OANYJXYFGPOOAS-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP Clc1ccc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001234980529 818970731 /nfs/dbraw/zinc/97/07/31/818970731.db2.gz YTUYXBFENLGKSD-BETUJISGSA-N 2 1 299.245 3.077 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235006783 818975706 /nfs/dbraw/zinc/97/57/06/818975706.db2.gz KEQXMXFWFJTQML-SFHVURJKSA-N 2 1 294.483 3.049 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024906 818980309 /nfs/dbraw/zinc/98/03/09/818980309.db2.gz RXWTWWYVBISWGO-UHFFFAOYSA-N 2 1 297.446 3.261 20 0 CGADMP Fc1ccc(-c2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235024871 818980790 /nfs/dbraw/zinc/98/07/90/818980790.db2.gz QWNGFXDGRMYFFS-UHFFFAOYSA-N 2 1 296.389 3.288 20 0 CGADMP Fc1ccc(-c2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235024871 818980793 /nfs/dbraw/zinc/98/07/93/818980793.db2.gz QWNGFXDGRMYFFS-UHFFFAOYSA-N 2 1 296.389 3.288 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032320 818983712 /nfs/dbraw/zinc/98/37/12/818983712.db2.gz JXHJBJFTYZDXAT-QGZVFWFLSA-N 2 1 286.444 3.395 20 0 CGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235034303 818984111 /nfs/dbraw/zinc/98/41/11/818984111.db2.gz WILVFGYVIFQYDV-LJQANCHMSA-N 2 1 296.414 3.034 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235034303 818984114 /nfs/dbraw/zinc/98/41/14/818984114.db2.gz WILVFGYVIFQYDV-LJQANCHMSA-N 2 1 296.414 3.034 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1F ZINC001235039692 818988277 /nfs/dbraw/zinc/98/82/77/818988277.db2.gz HBWOOHVBXZSZCB-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1F ZINC001235039692 818988283 /nfs/dbraw/zinc/98/82/83/818988283.db2.gz HBWOOHVBXZSZCB-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC34CC[NH2+]CC4)CCCC2)cc1 ZINC001235102001 819002502 /nfs/dbraw/zinc/00/25/02/819002502.db2.gz KEAMSCZFJAQXDH-UHFFFAOYSA-N 2 1 284.447 3.326 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235145276 819015309 /nfs/dbraw/zinc/01/53/09/819015309.db2.gz SMFYNUVWSJACRJ-UHFFFAOYSA-N 2 1 270.420 3.282 20 0 CGADMP CC(C)(C)CC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235150783 819016778 /nfs/dbraw/zinc/01/67/78/819016778.db2.gz AJQPXQDJMWJOIO-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP C1=CC[C@@H](C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001235155911 819018574 /nfs/dbraw/zinc/01/85/74/819018574.db2.gz YTXCQUZYZCHEBY-NVXWUHKLSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001235157846 819019245 /nfs/dbraw/zinc/01/92/45/819019245.db2.gz SDXLHAPWOXQSGP-QGZVFWFLSA-N 2 1 290.426 3.488 20 0 CGADMP Fc1ccc(CCC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235169512 819023344 /nfs/dbraw/zinc/02/33/44/819023344.db2.gz BHXPKAORHMWSAQ-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235169512 819023351 /nfs/dbraw/zinc/02/33/51/819023351.db2.gz BHXPKAORHMWSAQ-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1C ZINC001235173946 819025224 /nfs/dbraw/zinc/02/52/24/819025224.db2.gz RXAUKGQKNUZBPY-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1C ZINC001235173946 819025233 /nfs/dbraw/zinc/02/52/33/819025233.db2.gz RXAUKGQKNUZBPY-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184246 819028618 /nfs/dbraw/zinc/02/86/18/819028618.db2.gz ILBNBFRIXJSZAF-OCCSQVGLSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192937 819031368 /nfs/dbraw/zinc/03/13/68/819031368.db2.gz IBRFOLMUAZZPKN-IAGOWNOFSA-N 2 1 280.415 3.190 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3ccc(Cl)cc3)C[C@H]21 ZINC001235209953 819036296 /nfs/dbraw/zinc/03/62/96/819036296.db2.gz GIEOPBVROXFBFY-PIIMJCKOSA-N 2 1 298.817 3.396 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209798 819036501 /nfs/dbraw/zinc/03/65/01/819036501.db2.gz QQWZAGWPBWTNIW-OHFALNGGSA-N 2 1 290.838 3.127 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209798 819036507 /nfs/dbraw/zinc/03/65/07/819036507.db2.gz QQWZAGWPBWTNIW-OHFALNGGSA-N 2 1 290.838 3.127 20 0 CGADMP c1ccc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254344 819051646 /nfs/dbraw/zinc/05/16/46/819051646.db2.gz BDKNZKMAFSBRFF-PKOBYXMFSA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254344 819051650 /nfs/dbraw/zinc/05/16/50/819051650.db2.gz BDKNZKMAFSBRFF-PKOBYXMFSA-N 2 1 278.399 3.147 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)CC(C)(C)C ZINC001235255674 819052108 /nfs/dbraw/zinc/05/21/08/819052108.db2.gz NRTLJRJZDDWCGU-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)CC(C)(C)C ZINC001235255674 819052113 /nfs/dbraw/zinc/05/21/13/819052113.db2.gz NRTLJRJZDDWCGU-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CCCCCCOc1ccc(C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235285125 819060931 /nfs/dbraw/zinc/06/09/31/819060931.db2.gz PAAJFHCERXGDQV-BCDXTJNWSA-N 2 1 288.435 3.035 20 0 CGADMP CCCCCCOc1ccc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235285125 819060933 /nfs/dbraw/zinc/06/09/33/819060933.db2.gz PAAJFHCERXGDQV-BCDXTJNWSA-N 2 1 288.435 3.035 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001235401721 819086422 /nfs/dbraw/zinc/08/64/22/819086422.db2.gz HJDDOOSWYXXQNV-NXOAAHMSSA-N 2 1 280.431 3.002 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426717 819093334 /nfs/dbraw/zinc/09/33/34/819093334.db2.gz QQBNCYIPFSHPBR-HZPDHXFCSA-N 2 1 252.446 3.134 20 0 CGADMP CCCc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)s1 ZINC001235433530 819095478 /nfs/dbraw/zinc/09/54/78/819095478.db2.gz LSVDTLAKUYEPRJ-UHFFFAOYSA-N 2 1 266.454 3.132 20 0 CGADMP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)CC1CC[NH2+]CC1 ZINC001235433520 819096281 /nfs/dbraw/zinc/09/62/81/819096281.db2.gz LINLXZILDALKSC-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CCCCC1CC[NH+](C[C@H]2[C@H](C)C[NH2+]CC2(F)F)CC1 ZINC001235432057 819096326 /nfs/dbraw/zinc/09/63/26/819096326.db2.gz GWEJCAOSCRLIJP-HIFRSBDPSA-N 2 1 288.426 3.379 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235432655 819096455 /nfs/dbraw/zinc/09/64/55/819096455.db2.gz QBEHNPYMUYQOAO-UHFFFAOYSA-N 2 1 280.843 3.388 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)c(F)cc1Cl ZINC001235431788 819096843 /nfs/dbraw/zinc/09/68/43/819096843.db2.gz CNAWNOCOJDDEKS-UHFFFAOYSA-N 2 1 284.806 3.219 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cc(C)cc(Cl)c3)C[C@H]2C1 ZINC001235537735 819119139 /nfs/dbraw/zinc/11/91/39/819119139.db2.gz LCIVOMFIEJCLLD-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP CC[C@H]([NH3+])C[NH+]1CCC2(CCc3ccc(C)cc32)CC1 ZINC001235609831 819125622 /nfs/dbraw/zinc/12/56/22/819125622.db2.gz ZRTVTALOKHORQX-INIZCTEOSA-N 2 1 272.436 3.012 20 0 CGADMP FC1(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235673156 819133728 /nfs/dbraw/zinc/13/37/28/819133728.db2.gz MCKPQEWQKIQNPZ-KRWDZBQOSA-N 2 1 290.426 3.033 20 0 CGADMP C[N@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccccc1F ZINC001235692801 819143652 /nfs/dbraw/zinc/14/36/52/819143652.db2.gz UFYCLIHYVWZNFM-UHFFFAOYSA-N 2 1 290.407 3.165 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccccc1F ZINC001235692801 819143655 /nfs/dbraw/zinc/14/36/55/819143655.db2.gz UFYCLIHYVWZNFM-UHFFFAOYSA-N 2 1 290.407 3.165 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235712339 819148414 /nfs/dbraw/zinc/14/84/14/819148414.db2.gz ABUHQOCHERONHJ-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713340 819149075 /nfs/dbraw/zinc/14/90/75/819149075.db2.gz XMRBAQWMWIUCGJ-CYBMUJFWSA-N 2 1 286.341 3.234 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc(F)c1F ZINC001235716403 819149801 /nfs/dbraw/zinc/14/98/01/819149801.db2.gz AHIOVRCZQIDZPH-UHFFFAOYSA-N 2 1 282.378 3.095 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(C2CC2)cc1 ZINC001235717066 819150027 /nfs/dbraw/zinc/15/00/27/819150027.db2.gz CHXADDGPQVFZAZ-UHFFFAOYSA-N 2 1 272.436 3.386 20 0 CGADMP CC1(C[N@H+]2CC[C@H](c3ccccc3F)C2)CC[NH2+]CC1 ZINC001235724228 819152796 /nfs/dbraw/zinc/15/27/96/819152796.db2.gz DYKBQNAJIFBFGT-AWEZNQCLSA-N 2 1 276.399 3.005 20 0 CGADMP c1ccc([C@H]2c3ccccc3CC[N@@H+]2CCC2C[NH2+]C2)cc1 ZINC001235793386 819169807 /nfs/dbraw/zinc/16/98/07/819169807.db2.gz GOPDPCAQFJFRGR-FQEVSTJZSA-N 2 1 292.426 3.244 20 0 CGADMP c1ccc([C@H]2CSCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235808355 819172920 /nfs/dbraw/zinc/17/29/20/819172920.db2.gz BGHQJOAAIHMXAP-IAGOWNOFSA-N 2 1 290.476 3.309 20 0 CGADMP c1ccc([C@H]2CSCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235808355 819172926 /nfs/dbraw/zinc/17/29/26/819172926.db2.gz BGHQJOAAIHMXAP-IAGOWNOFSA-N 2 1 290.476 3.309 20 0 CGADMP CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235928159 819226384 /nfs/dbraw/zinc/22/63/84/819226384.db2.gz QVLDSEXGMMZPOP-KRWDZBQOSA-N 2 1 258.409 3.097 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235941224 819233805 /nfs/dbraw/zinc/23/38/05/819233805.db2.gz VCCWAHMXAMUBDN-DLBZAZTESA-N 2 1 286.463 3.416 20 0 CGADMP c1ccc([C@H]2CC[N@@H+]2Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235950057 819240714 /nfs/dbraw/zinc/24/07/14/819240714.db2.gz ZIHNLISZMHUFTF-LJQANCHMSA-N 2 1 278.399 3.279 20 0 CGADMP CCCCOc1cccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235950473 819241281 /nfs/dbraw/zinc/24/12/81/819241281.db2.gz HQMMFDYJFQDOFH-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235951368 819241536 /nfs/dbraw/zinc/24/15/36/819241536.db2.gz RLLGNBPJUWVWAW-HZPDHXFCSA-N 2 1 252.446 3.300 20 0 CGADMP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235957424 819245944 /nfs/dbraw/zinc/24/59/44/819245944.db2.gz NTHWPCGOFBXRNY-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)c1cccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235956965 819246198 /nfs/dbraw/zinc/24/61/98/819246198.db2.gz IXLKXYVCBFDSAE-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235959217 819246865 /nfs/dbraw/zinc/24/68/65/819246865.db2.gz IGBXNOSFBHTXGJ-SCAQPMJSSA-N 2 1 272.436 3.153 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235960092 819247966 /nfs/dbraw/zinc/24/79/66/819247966.db2.gz OXKRWXBEOZIOBQ-YWVIFJGQSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235960092 819247970 /nfs/dbraw/zinc/24/79/70/819247970.db2.gz OXKRWXBEOZIOBQ-YWVIFJGQSA-N 2 1 278.827 3.126 20 0 CGADMP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CC1(C)C ZINC001235959614 819248060 /nfs/dbraw/zinc/24/80/60/819248060.db2.gz YSZPEUARHLSZRT-MRXNPFEDSA-N 2 1 297.446 3.222 20 0 CGADMP CCc1ccc(C[N@H+](C)C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235959360 819248119 /nfs/dbraw/zinc/24/81/19/819248119.db2.gz HYUIEBXWAFKVSD-XJKSGUPXSA-N 2 1 296.405 3.172 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235959360 819248122 /nfs/dbraw/zinc/24/81/22/819248122.db2.gz HYUIEBXWAFKVSD-XJKSGUPXSA-N 2 1 296.405 3.172 20 0 CGADMP c1ccc2c(c1)C[N@H+](C[C@@H]1CC=CCC1)CC21CC[NH2+]CC1 ZINC001235975194 819256810 /nfs/dbraw/zinc/25/68/10/819256810.db2.gz ZBJOVYZXHCYRRH-QGZVFWFLSA-N 2 1 296.458 3.480 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235981491 819257220 /nfs/dbraw/zinc/25/72/20/819257220.db2.gz WFGGRDPJGDAQDR-CABCVRRESA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235981491 819257226 /nfs/dbraw/zinc/25/72/26/819257226.db2.gz WFGGRDPJGDAQDR-CABCVRRESA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235986975 819260385 /nfs/dbraw/zinc/26/03/85/819260385.db2.gz DAAJYVFYUGHXPP-OALUTQOASA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235986975 819260388 /nfs/dbraw/zinc/26/03/88/819260388.db2.gz DAAJYVFYUGHXPP-OALUTQOASA-N 2 1 278.399 3.277 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235996622 819266416 /nfs/dbraw/zinc/26/64/16/819266416.db2.gz YLBRZCZWZUSQFO-YJBOKZPZSA-N 2 1 266.388 3.071 20 0 CGADMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001236052846 819288444 /nfs/dbraw/zinc/28/84/44/819288444.db2.gz VWJHFRSTDWRYNC-KSSFIOAISA-N 2 1 296.414 3.228 20 0 CGADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001236052846 819288451 /nfs/dbraw/zinc/28/84/51/819288451.db2.gz VWJHFRSTDWRYNC-KSSFIOAISA-N 2 1 296.414 3.228 20 0 CGADMP C[C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)CC(C)(C)C ZINC001236061353 819294023 /nfs/dbraw/zinc/29/40/23/819294023.db2.gz XCLZXYBEBSUKMM-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)CC(C)(C)C ZINC001236061353 819294029 /nfs/dbraw/zinc/29/40/29/819294029.db2.gz XCLZXYBEBSUKMM-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC001236065669 819297353 /nfs/dbraw/zinc/29/73/53/819297353.db2.gz CGFWMRRLIXQXAQ-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP c1cn(C2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c2ccccc12 ZINC001236072943 819302539 /nfs/dbraw/zinc/30/25/39/819302539.db2.gz MHLHCPGWOOJOHX-QGZVFWFLSA-N 2 1 297.446 3.420 20 0 CGADMP COc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001236097581 819316797 /nfs/dbraw/zinc/31/67/97/819316797.db2.gz LDRHBXCDOBLNIS-DLBZAZTESA-N 2 1 288.435 3.017 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c(F)c1 ZINC001236124937 819332132 /nfs/dbraw/zinc/33/21/32/819332132.db2.gz SJCHZYQWOAKPDJ-QGZVFWFLSA-N 2 1 294.389 3.491 20 0 CGADMP CCC[N@@H+](Cc1cc(OCC)ccc1C)C1CC[NH2+]CC1 ZINC001236185183 819359769 /nfs/dbraw/zinc/35/97/69/819359769.db2.gz ZOPUUSUWYJRHKF-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP CCC[N@@H+](Cc1c[nH]c2cccc(C)c12)C1CC[NH2+]CC1 ZINC001236181755 819360120 /nfs/dbraw/zinc/36/01/20/819360120.db2.gz DKLNFFWWVUCTIO-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1OC)C1CC[NH2+]CC1 ZINC001236182381 819360985 /nfs/dbraw/zinc/36/09/85/819360985.db2.gz NQLVQIJCPLTJLG-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CCC[N@@H+](Cc1cccc(Cl)c1OC)C1CC[NH2+]CC1 ZINC001236182381 819360992 /nfs/dbraw/zinc/36/09/92/819360992.db2.gz NQLVQIJCPLTJLG-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)[C@]1(C)CCC[NH2+]C1 ZINC001236199049 819365915 /nfs/dbraw/zinc/36/59/15/819365915.db2.gz CXANKCZLVCCXNG-GOSISDBHSA-N 2 1 268.404 3.414 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@]1(C)CCC[NH2+]C1 ZINC001236199049 819365921 /nfs/dbraw/zinc/36/59/21/819365921.db2.gz CXANKCZLVCCXNG-GOSISDBHSA-N 2 1 268.404 3.414 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c[nH]c2c1 ZINC001236210488 819371304 /nfs/dbraw/zinc/37/13/04/819371304.db2.gz CWSVIIAKVIBUGP-NVXWUHKLSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c[nH]c2c1 ZINC001236210488 819371310 /nfs/dbraw/zinc/37/13/10/819371310.db2.gz CWSVIIAKVIBUGP-NVXWUHKLSA-N 2 1 271.408 3.178 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236211055 819372227 /nfs/dbraw/zinc/37/22/27/819372227.db2.gz GOIGNAOEBXDPSJ-SJORKVTESA-N 2 1 276.424 3.176 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236211055 819372235 /nfs/dbraw/zinc/37/22/35/819372235.db2.gz GOIGNAOEBXDPSJ-SJORKVTESA-N 2 1 276.424 3.176 20 0 CGADMP C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213748 819377028 /nfs/dbraw/zinc/37/70/28/819377028.db2.gz BFXLWBXRQMMMPV-QZTJIDSGSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213748 819377033 /nfs/dbraw/zinc/37/70/33/819377033.db2.gz BFXLWBXRQMMMPV-QZTJIDSGSA-N 2 1 284.403 3.247 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])ccc2n1 ZINC001236214840 819378369 /nfs/dbraw/zinc/37/83/69/819378369.db2.gz FRKZZJRXTHAHIC-WMZOPIPTSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])ccc2n1 ZINC001236214840 819378377 /nfs/dbraw/zinc/37/83/77/819378377.db2.gz FRKZZJRXTHAHIC-WMZOPIPTSA-N 2 1 283.419 3.245 20 0 CGADMP CCc1cccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)c1 ZINC001236214754 819378633 /nfs/dbraw/zinc/37/86/33/819378633.db2.gz GLCXTZQIXMYPCD-UHFFFAOYSA-N 2 1 260.425 3.211 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215695 819381125 /nfs/dbraw/zinc/38/11/25/819381125.db2.gz IDMFLGYUKMLUID-WMZOPIPTSA-N 2 1 285.435 3.363 20 0 CGADMP C[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219235 819385747 /nfs/dbraw/zinc/38/57/47/819385747.db2.gz UWLLBSIYBITOSX-HUUCEWRRSA-N 2 1 258.365 3.135 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220172 819386064 /nfs/dbraw/zinc/38/60/64/819386064.db2.gz YLULBIQXZPUQCE-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220172 819386070 /nfs/dbraw/zinc/38/60/70/819386070.db2.gz YLULBIQXZPUQCE-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC001236219698 819386916 /nfs/dbraw/zinc/38/69/16/819386916.db2.gz XMUVKZRLCCIDSD-SJORKVTESA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC001236219698 819386918 /nfs/dbraw/zinc/38/69/18/819386918.db2.gz XMUVKZRLCCIDSD-SJORKVTESA-N 2 1 276.424 3.095 20 0 CGADMP C[N@@H+](CCCc1ccc(Cl)cc1)C1(C)CC[NH2+]CC1 ZINC001236224303 819389270 /nfs/dbraw/zinc/38/92/70/819389270.db2.gz SPDRDBJETSIJSW-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP CC(C)c1ccccc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226693 819391764 /nfs/dbraw/zinc/39/17/64/819391764.db2.gz RGHMPVCOPGOEET-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287307 819414123 /nfs/dbraw/zinc/41/41/23/819414123.db2.gz RBSLLQSVMNZOBW-OAHLLOKOSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCCCCCCC1 ZINC001236308981 819418430 /nfs/dbraw/zinc/41/84/30/819418430.db2.gz YYKJFKFXSOKUTK-ZIAGYGMSSA-N 2 1 274.399 3.133 20 0 CGADMP COCC[N@H+](CC[C@H](C)CCC=C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236328275 819426545 /nfs/dbraw/zinc/42/65/45/819426545.db2.gz OGPRFASRVUPXGQ-MSOLQXFVSA-N 2 1 296.499 3.459 20 0 CGADMP COCC[N@@H+](CC[C@H](C)CCC=C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236328275 819426547 /nfs/dbraw/zinc/42/65/47/819426547.db2.gz OGPRFASRVUPXGQ-MSOLQXFVSA-N 2 1 296.499 3.459 20 0 CGADMP C[N@H+]1CCc2c(F)cc(-c3cccc4c3CC[NH2+]C4)cc2C1 ZINC001236356498 819432172 /nfs/dbraw/zinc/43/21/72/819432172.db2.gz ADFMGEXVLUWQOJ-UHFFFAOYSA-N 2 1 296.389 3.126 20 0 CGADMP S=C1C=COC1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236377210 819443090 /nfs/dbraw/zinc/44/30/90/819443090.db2.gz YJIRLDMUHGGMNA-CYBMUJFWSA-N 2 1 294.464 3.313 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C[C@H]1CC[NH2+]C1 ZINC001236408767 819456472 /nfs/dbraw/zinc/45/64/72/819456472.db2.gz STRGUHOZNDFYNY-HOTGVXAUSA-N 2 1 264.457 3.300 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236415049 819461330 /nfs/dbraw/zinc/46/13/30/819461330.db2.gz NSGJIVPJCQXQAG-JYJNAYRXSA-N 2 1 284.488 3.420 20 0 CGADMP Cc1[nH+]c(N)ccc1-c1ccc(C[NH2+]CC(C)C)cc1 ZINC001236446164 819482773 /nfs/dbraw/zinc/48/27/73/819482773.db2.gz HNBJSGQKJLYQCK-UHFFFAOYSA-N 2 1 269.392 3.385 20 0 CGADMP CC(C)[N@H+](Cc1ccc2c(c1)CCCN2)[C@@H]1CCC[NH2+]C1 ZINC001236470872 819491300 /nfs/dbraw/zinc/49/13/00/819491300.db2.gz RJUSZCDNHBIJHA-QGZVFWFLSA-N 2 1 287.451 3.007 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCCN2)[C@@H]1CCC[NH2+]C1 ZINC001236470872 819491304 /nfs/dbraw/zinc/49/13/04/819491304.db2.gz RJUSZCDNHBIJHA-QGZVFWFLSA-N 2 1 287.451 3.007 20 0 CGADMP Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1O ZINC001236552479 819535087 /nfs/dbraw/zinc/53/50/87/819535087.db2.gz QXJCKHPZTYORHF-QAQDUYKDSA-N 2 1 290.451 3.429 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2c(F)cccc2F)CC2CC2)CC1 ZINC001236550803 819535196 /nfs/dbraw/zinc/53/51/96/819535196.db2.gz HICRJMOEGKWDIK-HDJSIYSDSA-N 2 1 294.389 3.447 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2cccc(F)c2)CC2CC2)CC1 ZINC001236553336 819535221 /nfs/dbraw/zinc/53/52/21/819535221.db2.gz XCPKXELAMGVTGW-IYARVYRRSA-N 2 1 290.426 3.350 20 0 CGADMP c1cc2cc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)ccc2o1 ZINC001236597717 819548967 /nfs/dbraw/zinc/54/89/67/819548967.db2.gz CWFRJAMPXGBUNB-OAHLLOKOSA-N 2 1 284.403 3.397 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236604174 819550119 /nfs/dbraw/zinc/55/01/19/819550119.db2.gz JGPAYVMWQWMKKX-HOTGVXAUSA-N 2 1 252.446 3.430 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC001236604307 819550735 /nfs/dbraw/zinc/55/07/35/819550735.db2.gz LOBNQBKZDBIVDW-OAHLLOKOSA-N 2 1 266.454 3.261 20 0 CGADMP Cc1c(Br)cccc1C[N@@H+](C)CCC[NH+](C)C ZINC001236609549 819552284 /nfs/dbraw/zinc/55/22/84/819552284.db2.gz JUHURCBPHAGUQD-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP Cc1c(Br)cccc1C[N@H+](C)CCC[NH+](C)C ZINC001236609549 819552288 /nfs/dbraw/zinc/55/22/88/819552288.db2.gz JUHURCBPHAGUQD-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767337 819591499 /nfs/dbraw/zinc/59/14/99/819591499.db2.gz HMHUFOAATXWSLE-KBUPBQIOSA-N 2 1 252.446 3.260 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC001236826640 819610683 /nfs/dbraw/zinc/61/06/83/819610683.db2.gz CRXQEHMWSZQSPU-MRXNPFEDSA-N 2 1 272.436 3.040 20 0 CGADMP CCC[N@@H+](CCCC1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC001236833732 819612802 /nfs/dbraw/zinc/61/28/02/819612802.db2.gz ZOGXGRIDEHYPSX-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)o1 ZINC001236833542 819613783 /nfs/dbraw/zinc/61/37/83/819613783.db2.gz YZAMUTVTJSVDMC-RCCFBDPRSA-N 2 1 296.414 3.424 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1C(C)C ZINC001237058682 819656688 /nfs/dbraw/zinc/65/66/88/819656688.db2.gz QZUOLEUADPXRSR-GOSISDBHSA-N 2 1 290.451 3.379 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001237059833 819657189 /nfs/dbraw/zinc/65/71/89/819657189.db2.gz WAGGPJNXVXVNTC-GOSISDBHSA-N 2 1 283.419 3.038 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237082565 819663525 /nfs/dbraw/zinc/66/35/25/819663525.db2.gz RIFYZJDGSXBZIE-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237082568 819664319 /nfs/dbraw/zinc/66/43/19/819664319.db2.gz RIFYZJDGSXBZIE-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP CCc1cccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237158548 819684105 /nfs/dbraw/zinc/68/41/05/819684105.db2.gz ZNLNWGPTHLYNHW-GOSISDBHSA-N 2 1 272.436 3.356 20 0 CGADMP CCc1cccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237158548 819684110 /nfs/dbraw/zinc/68/41/10/819684110.db2.gz ZNLNWGPTHLYNHW-GOSISDBHSA-N 2 1 272.436 3.356 20 0 CGADMP c1cc2c(c(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c1)CCC2 ZINC001237162146 819686392 /nfs/dbraw/zinc/68/63/92/819686392.db2.gz UBNAGHXJQYVTDE-SFHVURJKSA-N 2 1 284.447 3.282 20 0 CGADMP c1cc2c(c(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c1)CCC2 ZINC001237162146 819686396 /nfs/dbraw/zinc/68/63/96/819686396.db2.gz UBNAGHXJQYVTDE-SFHVURJKSA-N 2 1 284.447 3.282 20 0 CGADMP C[C@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237204256 819697702 /nfs/dbraw/zinc/69/77/02/819697702.db2.gz MHBBCOXEPBLNCT-KBPBESRZSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001237204256 819697705 /nfs/dbraw/zinc/69/77/05/819697705.db2.gz MHBBCOXEPBLNCT-KBPBESRZSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237204256 819697708 /nfs/dbraw/zinc/69/77/08/819697708.db2.gz MHBBCOXEPBLNCT-KBPBESRZSA-N 2 1 286.410 3.133 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300985 819721180 /nfs/dbraw/zinc/72/11/80/819721180.db2.gz SAAHSBHVVPLDOX-JZXOWHBKSA-N 2 1 294.442 3.293 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381612 819738211 /nfs/dbraw/zinc/73/82/11/819738211.db2.gz JFJPANNYVYTFEQ-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384175 819739673 /nfs/dbraw/zinc/73/96/73/819739673.db2.gz VFMUOJVFZKNARL-IRXDYDNUSA-N 2 1 264.457 3.421 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384175 819739678 /nfs/dbraw/zinc/73/96/78/819739678.db2.gz VFMUOJVFZKNARL-IRXDYDNUSA-N 2 1 264.457 3.421 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237395121 819743218 /nfs/dbraw/zinc/74/32/18/819743218.db2.gz XDWOYMDOLMOICV-WMZOPIPTSA-N 2 1 297.446 3.235 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1C ZINC001237405753 819745432 /nfs/dbraw/zinc/74/54/32/819745432.db2.gz RSLXCGUKTSCETQ-FUHWJXTLSA-N 2 1 272.436 3.186 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC2(CCCC2)C1 ZINC001238112879 819938960 /nfs/dbraw/zinc/93/89/60/819938960.db2.gz GEEDVYFFSHGSCN-UHFFFAOYSA-N 2 1 255.365 3.100 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC2(CCCC2)C1 ZINC001238112879 819938964 /nfs/dbraw/zinc/93/89/64/819938964.db2.gz GEEDVYFFSHGSCN-UHFFFAOYSA-N 2 1 255.365 3.100 20 0 CGADMP COC(=[NH2+])c1cccc(-c2ccccc2C[NH+](C)C)c1 ZINC001239685048 820521425 /nfs/dbraw/zinc/52/14/25/820521425.db2.gz XSVXWLUAVYPVIV-UHFFFAOYSA-N 2 1 268.360 3.387 20 0 CGADMP C[N@@H+]1CC=C(c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001241319124 821729226 /nfs/dbraw/zinc/72/92/26/821729226.db2.gz COSJCDFPYOTVTH-UHFFFAOYSA-N 2 1 270.420 3.391 20 0 CGADMP CC[NH+](CC)Cc1ccc(F)c(C2=CC[N@@H+](C)CC2)c1 ZINC001241332458 821739114 /nfs/dbraw/zinc/73/91/14/821739114.db2.gz IKAWKLAPABYOKV-UHFFFAOYSA-N 2 1 276.399 3.386 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C2=CCC[NH+](C)C2)nc1 ZINC001241568405 821954490 /nfs/dbraw/zinc/95/44/90/821954490.db2.gz QMHSEEUCALJGES-OAHLLOKOSA-N 2 1 285.435 3.175 20 0 CGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C2=CCC[N@H+](C)C2)nc1 ZINC001241568405 821954497 /nfs/dbraw/zinc/95/44/97/821954497.db2.gz QMHSEEUCALJGES-OAHLLOKOSA-N 2 1 285.435 3.175 20 0 CGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C2=CCC[N@@H+](C)C2)nc1 ZINC001241568405 821954505 /nfs/dbraw/zinc/95/45/05/821954505.db2.gz QMHSEEUCALJGES-OAHLLOKOSA-N 2 1 285.435 3.175 20 0 CGADMP FC1(F)CC=C(c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)CC1 ZINC001242233595 822919995 /nfs/dbraw/zinc/91/99/95/822919995.db2.gz POIBFVZBWXHIJV-UHFFFAOYSA-N 2 1 289.329 3.224 20 0 CGADMP c1cc2cccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)c2[nH]1 ZINC001242361259 822966536 /nfs/dbraw/zinc/96/65/36/822966536.db2.gz NCSWFTJJBQKCAS-UHFFFAOYSA-N 2 1 288.354 3.169 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001339038877 936346256 /nfs/dbraw/zinc/34/62/56/936346256.db2.gz AZEBIRSKTDMWCV-CXAGYDPISA-N 2 1 276.399 3.229 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001339038877 936346260 /nfs/dbraw/zinc/34/62/60/936346260.db2.gz AZEBIRSKTDMWCV-CXAGYDPISA-N 2 1 276.399 3.229 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC001339276580 936364242 /nfs/dbraw/zinc/36/42/42/936364242.db2.gz PJOJGNZVHOSKSY-QAPCUYQASA-N 2 1 287.451 3.255 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495970 936406243 /nfs/dbraw/zinc/40/62/43/936406243.db2.gz UCPBBOKYIKQARK-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495970 936406246 /nfs/dbraw/zinc/40/62/46/936406246.db2.gz UCPBBOKYIKQARK-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCCC(F)(F)F)cn1 ZINC001351974504 937030533 /nfs/dbraw/zinc/03/05/33/937030533.db2.gz HBRMLQYKWYFHMU-UHFFFAOYSA-N 2 1 298.312 3.008 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC001353900514 937080876 /nfs/dbraw/zinc/08/08/76/937080876.db2.gz YMIVWMZBMFCBDU-CYBMUJFWSA-N 2 1 296.842 3.311 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC001353900514 937080880 /nfs/dbraw/zinc/08/08/80/937080880.db2.gz YMIVWMZBMFCBDU-CYBMUJFWSA-N 2 1 296.842 3.311 20 0 CGADMP CC[C@H]1C[C@@H](C[NH2+]CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001473912739 937201800 /nfs/dbraw/zinc/20/18/00/937201800.db2.gz UTXGJZXJYAXYQJ-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001560652650 937229311 /nfs/dbraw/zinc/22/93/11/937229311.db2.gz FOGAXGOUCSDCEN-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001560652650 937229316 /nfs/dbraw/zinc/22/93/16/937229316.db2.gz FOGAXGOUCSDCEN-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001560652650 937229319 /nfs/dbraw/zinc/22/93/19/937229319.db2.gz FOGAXGOUCSDCEN-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(Cl)c2C)C1 ZINC001560665567 937231150 /nfs/dbraw/zinc/23/11/50/937231150.db2.gz CULYWWARUGPACD-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(Cl)c2C)C1 ZINC001560665567 937231153 /nfs/dbraw/zinc/23/11/53/937231153.db2.gz CULYWWARUGPACD-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2C)C1 ZINC001560665567 937231155 /nfs/dbraw/zinc/23/11/55/937231155.db2.gz CULYWWARUGPACD-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C)C1 ZINC001560665567 937231157 /nfs/dbraw/zinc/23/11/57/937231157.db2.gz CULYWWARUGPACD-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2scnc2C)C[C@@H]1C ZINC001459613901 937493188 /nfs/dbraw/zinc/49/31/88/937493188.db2.gz OJOAZWFBYWTWSF-ZFWWWQNUSA-N 2 1 295.496 3.189 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2scnc2C)C[C@@H]1C ZINC001459613901 937493191 /nfs/dbraw/zinc/49/31/91/937493191.db2.gz OJOAZWFBYWTWSF-ZFWWWQNUSA-N 2 1 295.496 3.189 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2scnc2C)C[C@@H]1C ZINC001459613901 937493194 /nfs/dbraw/zinc/49/31/94/937493194.db2.gz OJOAZWFBYWTWSF-ZFWWWQNUSA-N 2 1 295.496 3.189 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001460711025 937540718 /nfs/dbraw/zinc/54/07/18/937540718.db2.gz QPKPONGIVRVRSL-CABCVRRESA-N 2 1 299.393 3.492 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(C)C)C1 ZINC000098173300 931995967 /nfs/dbraw/zinc/99/59/67/931995967.db2.gz CETGKKXGMHKITI-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(C)C)C1 ZINC000098173300 931995979 /nfs/dbraw/zinc/99/59/79/931995979.db2.gz CETGKKXGMHKITI-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCC1CCCC1 ZINC001460996333 937558571 /nfs/dbraw/zinc/55/85/71/937558571.db2.gz YQRLDJISFGTNOE-UHFFFAOYSA-N 2 1 261.413 3.208 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001461122918 937565113 /nfs/dbraw/zinc/56/51/13/937565113.db2.gz UHOJNTLCPJYBGG-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC001229624633 932179762 /nfs/dbraw/zinc/17/97/62/932179762.db2.gz CVHCGBNYVORRJU-RHSMWYFYSA-N 2 1 276.424 3.171 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC001461276790 937573790 /nfs/dbraw/zinc/57/37/90/937573790.db2.gz RWTPVPGHVWQVTA-NVXWUHKLSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001462326194 937632328 /nfs/dbraw/zinc/63/23/28/937632328.db2.gz JMUTZPDAOMLQIE-SJORKVTESA-N 2 1 286.463 3.113 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(CCC2)CC1 ZINC001462319475 937632558 /nfs/dbraw/zinc/63/25/58/937632558.db2.gz RHRJQNSSXGKKGR-CQSZACIVSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(CCC2)CC1 ZINC001462319475 937632560 /nfs/dbraw/zinc/63/25/60/937632560.db2.gz RHRJQNSSXGKKGR-CQSZACIVSA-N 2 1 252.446 3.418 20 0 CGADMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001462656433 937657360 /nfs/dbraw/zinc/65/73/60/937657360.db2.gz XFGWJQNWKYAWOB-FHWLQOOXSA-N 2 1 286.463 3.411 20 0 CGADMP Fc1ccc(C[NH2+]CCC[NH+]2CCC2)c2ccccc12 ZINC001308359643 933101168 /nfs/dbraw/zinc/10/11/68/933101168.db2.gz ZOBPBRGKOKJILK-UHFFFAOYSA-N 2 1 272.367 3.164 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308434468 933110180 /nfs/dbraw/zinc/11/01/80/933110180.db2.gz XCEMHUUBZLTYPL-FICVDOATSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308434468 933110189 /nfs/dbraw/zinc/11/01/89/933110189.db2.gz XCEMHUUBZLTYPL-FICVDOATSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](CC[NH2+]Cc1cnc(-c2ccsc2)s1)[NH+](C)C ZINC001308478284 933117112 /nfs/dbraw/zinc/11/71/12/933117112.db2.gz HECZHRRNFXRBJO-LLVKDONJSA-N 2 1 295.477 3.301 20 0 CGADMP CC[C@H]1CCCC[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001308585740 933138908 /nfs/dbraw/zinc/13/89/08/933138908.db2.gz IXBFFLYEUDFOJK-IRXDYDNUSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1ccc(C2=CC[N@@H+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001308614655 933142714 /nfs/dbraw/zinc/14/27/14/933142714.db2.gz CFOOGWYQIGOLFT-UHFFFAOYSA-N 2 1 284.447 3.426 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC001308864013 933192542 /nfs/dbraw/zinc/19/25/42/933192542.db2.gz OXKUSVXAYDWKDT-MRXNPFEDSA-N 2 1 290.451 3.166 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]2CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001308967293 933216700 /nfs/dbraw/zinc/21/67/00/933216700.db2.gz DCIOORZQWMYKEK-QZTJIDSGSA-N 2 1 298.474 3.472 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308983617 933222059 /nfs/dbraw/zinc/22/20/59/933222059.db2.gz GFDZIALCOZCHDX-SMLCLMEVSA-N 2 1 266.473 3.377 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366016 934492882 /nfs/dbraw/zinc/49/28/82/934492882.db2.gz UUIMIMOTEHAWJB-GDBMZVCRSA-N 2 1 275.440 3.128 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC001325721629 934924949 /nfs/dbraw/zinc/92/49/49/934924949.db2.gz KGYNLQQBNTVJQZ-YPMHNXCESA-N 2 1 290.407 3.398 20 0 CGADMP CCC[C@H](C)CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001473725407 937819231 /nfs/dbraw/zinc/81/92/31/937819231.db2.gz OHZSNRGEGCOEIJ-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001473725407 937819232 /nfs/dbraw/zinc/81/92/32/937819232.db2.gz OHZSNRGEGCOEIJ-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001473725407 937819234 /nfs/dbraw/zinc/81/92/34/937819234.db2.gz OHZSNRGEGCOEIJ-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001473725407 937819236 /nfs/dbraw/zinc/81/92/36/937819236.db2.gz OHZSNRGEGCOEIJ-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001326202799 934958755 /nfs/dbraw/zinc/95/87/55/934958755.db2.gz UHUJXFLTLWTLGZ-UHFFFAOYSA-N 2 1 293.480 3.232 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC001326218767 934960338 /nfs/dbraw/zinc/96/03/38/934960338.db2.gz NDEAGHWZESYQFY-RBSFLKMASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)CC(C)(C)C ZINC001473689793 937817725 /nfs/dbraw/zinc/81/77/25/937817725.db2.gz OGNXCXMMIBUKJN-USXIJHARSA-N 2 1 266.473 3.332 20 0 CGADMP CC[NH+](CC)C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC001327014036 935021605 /nfs/dbraw/zinc/02/16/05/935021605.db2.gz WXKFUVMBGFSCBV-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP Cc1nccn1CC[N@@H+](CCc1ccccc1)C(C)C ZINC001329862833 935249656 /nfs/dbraw/zinc/24/96/56/935249656.db2.gz MNPMYCPFFVXHHI-UHFFFAOYSA-N 2 1 271.408 3.145 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](CCc1ccccc1)C(C)C ZINC001329862833 935249659 /nfs/dbraw/zinc/24/96/59/935249659.db2.gz MNPMYCPFFVXHHI-UHFFFAOYSA-N 2 1 271.408 3.145 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](CCc1ccccc1)C(C)C ZINC001329862833 935249661 /nfs/dbraw/zinc/24/96/61/935249661.db2.gz MNPMYCPFFVXHHI-UHFFFAOYSA-N 2 1 271.408 3.145 20 0 CGADMP CC1(C)C[C@@H](C[N@H+]2CCCC3(CC[NH2+]CC3)C2)C(C)(C)O1 ZINC001330847379 935329098 /nfs/dbraw/zinc/32/90/98/935329098.db2.gz ZOVBFEQQUAYWEN-HNNXBMFYSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC001332362398 935462038 /nfs/dbraw/zinc/46/20/38/935462038.db2.gz WSZYDWSBKURKRM-UKRRQHHQSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]2C1 ZINC001334356061 936099052 /nfs/dbraw/zinc/09/90/52/936099052.db2.gz JXJOYAQJSWRYFE-BLONOQDTSA-N 2 1 276.468 3.085 20 0 CGADMP FC(F)(F)CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001334872984 936119857 /nfs/dbraw/zinc/11/98/57/936119857.db2.gz OZSCHZJIAQJYAM-CYBMUJFWSA-N 2 1 278.362 3.279 20 0 CGADMP FC(F)(F)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001334872984 936119858 /nfs/dbraw/zinc/11/98/58/936119858.db2.gz OZSCHZJIAQJYAM-CYBMUJFWSA-N 2 1 278.362 3.279 20 0 CGADMP CCCC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC001336790014 936218048 /nfs/dbraw/zinc/21/80/48/936218048.db2.gz HSYUKTMJQXBETO-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1cccnc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC001337622660 936274895 /nfs/dbraw/zinc/27/48/95/936274895.db2.gz HQXPABAXXKDHSA-UHFFFAOYSA-N 2 1 295.430 3.276 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001337825551 936292069 /nfs/dbraw/zinc/29/20/69/936292069.db2.gz XNKXQVRAHCJHTM-QEJZJMRPSA-N 2 1 299.443 3.122 20 0 CGADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740083 937819733 /nfs/dbraw/zinc/81/97/33/937819733.db2.gz ASJGVRLLGVCDND-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740083 937819736 /nfs/dbraw/zinc/81/97/36/937819736.db2.gz ASJGVRLLGVCDND-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740083 937819738 /nfs/dbraw/zinc/81/97/38/937819738.db2.gz ASJGVRLLGVCDND-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001473957421 937832462 /nfs/dbraw/zinc/83/24/62/937832462.db2.gz OOTIEEDFFQLJEB-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001473957421 937832464 /nfs/dbraw/zinc/83/24/64/937832464.db2.gz OOTIEEDFFQLJEB-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H](C[NH2+]CC1([NH+](C)C)CCOCC1)CC1CCCCC1 ZINC001474009981 937835390 /nfs/dbraw/zinc/83/53/90/937835390.db2.gz KBVLGKHOJGYGRT-INIZCTEOSA-N 2 1 296.499 3.293 20 0 CGADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@H+](C)C[C@@H]34)oc21 ZINC001474302280 937849865 /nfs/dbraw/zinc/84/98/65/937849865.db2.gz VGLHGFIKKSIVQJ-KBAYOESNSA-N 2 1 298.430 3.425 20 0 CGADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](C)C[C@@H]34)oc21 ZINC001474302280 937849867 /nfs/dbraw/zinc/84/98/67/937849867.db2.gz VGLHGFIKKSIVQJ-KBAYOESNSA-N 2 1 298.430 3.425 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2NC)C[C@H]1C ZINC001474317980 937851496 /nfs/dbraw/zinc/85/14/96/937851496.db2.gz QZDDFUZUHAPTEP-NVXWUHKLSA-N 2 1 289.467 3.341 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2NC)C[C@H]1C ZINC001474317980 937851498 /nfs/dbraw/zinc/85/14/98/937851498.db2.gz QZDDFUZUHAPTEP-NVXWUHKLSA-N 2 1 289.467 3.341 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2NC)C[C@H]1C ZINC001474317980 937851500 /nfs/dbraw/zinc/85/15/00/937851500.db2.gz QZDDFUZUHAPTEP-NVXWUHKLSA-N 2 1 289.467 3.341 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2NC)C[C@H]1C ZINC001474317980 937851502 /nfs/dbraw/zinc/85/15/02/937851502.db2.gz QZDDFUZUHAPTEP-NVXWUHKLSA-N 2 1 289.467 3.341 20 0 CGADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CCO1 ZINC001474645019 937872711 /nfs/dbraw/zinc/87/27/11/937872711.db2.gz BLVRDNYTBIUZMG-IRXDYDNUSA-N 2 1 296.499 3.245 20 0 CGADMP CC[C@@H](C)[C@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)OC ZINC001474681260 937874966 /nfs/dbraw/zinc/87/49/66/937874966.db2.gz AVCDRHZGLIGCQJ-SJORKVTESA-N 2 1 284.488 3.245 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001549035244 938154506 /nfs/dbraw/zinc/15/45/06/938154506.db2.gz JJIGEPOCUVVAJK-VLOYRQLPSA-N 2 1 286.463 3.356 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549709890 938158819 /nfs/dbraw/zinc/15/88/19/938158819.db2.gz CFWVOMRMHUKHQT-FUHWJXTLSA-N 2 1 287.451 3.074 20 0 CGADMP [NH3+][C@H]1CC[C@H](C[N@H+]2Cc3ccccc3C3(CCC3)C2)C1 ZINC001550350556 938166160 /nfs/dbraw/zinc/16/61/60/938166160.db2.gz ZYQFPKXREYOLBS-HOCLYGCPSA-N 2 1 270.420 3.051 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541512 938167846 /nfs/dbraw/zinc/16/78/46/938167846.db2.gz YJAMCLYGSXLFBE-MRVWCRGKSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541512 938167847 /nfs/dbraw/zinc/16/78/47/938167847.db2.gz YJAMCLYGSXLFBE-MRVWCRGKSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550541512 938167848 /nfs/dbraw/zinc/16/78/48/938167848.db2.gz YJAMCLYGSXLFBE-MRVWCRGKSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550541512 938167849 /nfs/dbraw/zinc/16/78/49/938167849.db2.gz YJAMCLYGSXLFBE-MRVWCRGKSA-N 2 1 296.817 3.424 20 0 CGADMP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(F)F)c(F)c1)C2 ZINC001550705611 938170347 /nfs/dbraw/zinc/17/03/47/938170347.db2.gz XKDWGAPEBBRNDU-MLGOLLRUSA-N 2 1 298.352 3.324 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3Cc4ccccc43)CC[NH2+]2)cc1 ZINC001552080689 938189979 /nfs/dbraw/zinc/18/99/79/938189979.db2.gz FZEUQKPINBKIJP-WDSOQIARSA-N 2 1 278.399 3.367 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001559863596 938237492 /nfs/dbraw/zinc/23/74/92/938237492.db2.gz GCZNQGMHMXBWOP-GOSISDBHSA-N 2 1 276.468 3.375 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3CCC4(CC4)CC3)C2)C1 ZINC001559863596 938237493 /nfs/dbraw/zinc/23/74/93/938237493.db2.gz GCZNQGMHMXBWOP-GOSISDBHSA-N 2 1 276.468 3.375 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3CCC4(CC4)CC3)C2)C1 ZINC001559863596 938237494 /nfs/dbraw/zinc/23/74/94/938237494.db2.gz GCZNQGMHMXBWOP-GOSISDBHSA-N 2 1 276.468 3.375 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001560706478 938271085 /nfs/dbraw/zinc/27/10/85/938271085.db2.gz KZRKDYTVKXQZHO-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC001560706050 938271175 /nfs/dbraw/zinc/27/11/75/938271175.db2.gz ZLJKGKFOCCXSOS-USXIJHARSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001560937336 938284914 /nfs/dbraw/zinc/28/49/14/938284914.db2.gz BIXVWWJQYCZLIC-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C1(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001560937336 938284915 /nfs/dbraw/zinc/28/49/15/938284915.db2.gz BIXVWWJQYCZLIC-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001561052739 938292167 /nfs/dbraw/zinc/29/21/67/938292167.db2.gz KCUQNKIDGUZASR-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ncccc1C ZINC001257205128 960426275 /nfs/dbraw/zinc/42/62/75/960426275.db2.gz XYNZGUYHSQYXNI-MRXNPFEDSA-N 2 1 275.440 3.304 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCc1ccccc1Cl ZINC001575107725 962342267 /nfs/dbraw/zinc/34/22/67/962342267.db2.gz IIPVVKMKAVCEJX-AWEZNQCLSA-N 2 1 268.832 3.236 20 0 CGADMP CC(C)([NH3+])c1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)on1 ZINC001575365811 962365677 /nfs/dbraw/zinc/36/56/77/962365677.db2.gz OESXAQTZJOCUDA-UHFFFAOYSA-N 2 1 299.418 3.426 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001575421937 962378337 /nfs/dbraw/zinc/37/83/37/962378337.db2.gz CZNYKSGMDGDKPS-ZWKOTPCHSA-N 2 1 274.452 3.315 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC001575566554 962398627 /nfs/dbraw/zinc/39/86/27/962398627.db2.gz YKQUJGWRHQMNQM-PMPSAXMXSA-N 2 1 252.446 3.323 20 0 CGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001575851395 962408172 /nfs/dbraw/zinc/40/81/72/962408172.db2.gz XPWJZKDSVLLUMH-KKBVYLPWSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cc(F)ccc1N(C)C ZINC001575934485 962420298 /nfs/dbraw/zinc/42/02/98/962420298.db2.gz QJZPRNCUKIXXMW-NFAWXSAZSA-N 2 1 293.430 3.073 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001575966974 962427374 /nfs/dbraw/zinc/42/73/74/962427374.db2.gz UKZHXWHQOYOQIC-VUCTXSBTSA-N 2 1 294.389 3.160 20 0 CGADMP C[C@@]1(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001576502638 962464715 /nfs/dbraw/zinc/46/47/15/962464715.db2.gz DNGIJYBMPIYSDJ-QZTJIDSGSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(C)(C)C[NH3+])C1 ZINC001576622373 962473747 /nfs/dbraw/zinc/47/37/47/962473747.db2.gz CXQINPBDUJTMAU-IUODEOHRSA-N 2 1 264.388 3.194 20 0 CGADMP C[C@H](c1nccc2ccccc21)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC001576607921 962474020 /nfs/dbraw/zinc/47/40/20/962474020.db2.gz LJEYMTYZXQBWBF-UMVBOHGHSA-N 2 1 269.392 3.107 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001576806266 962489146 /nfs/dbraw/zinc/48/91/46/962489146.db2.gz CRVSFCILCMQGBH-UKRRQHHQSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001576798951 962493536 /nfs/dbraw/zinc/49/35/36/962493536.db2.gz ZNWQLLOVECCUPX-GLJUWKHASA-N 2 1 272.436 3.153 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC1(C)C ZINC001576734673 962495374 /nfs/dbraw/zinc/49/53/74/962495374.db2.gz HDJABTMMZGQNBU-AWEZNQCLSA-N 2 1 272.436 3.200 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001577340980 962525043 /nfs/dbraw/zinc/52/50/43/962525043.db2.gz OBBBFPPJXZLKNI-CVEARBPZSA-N 2 1 252.446 3.278 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2OC)CC[C@@H]1[NH3+] ZINC001577279413 962528697 /nfs/dbraw/zinc/52/86/97/962528697.db2.gz GLWVHMLPIIOOGT-KDOFPFPSSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc(C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C(C)(C)C)cc1 ZINC001579212555 962610303 /nfs/dbraw/zinc/61/03/03/962610303.db2.gz CZKZWSVSFQTZFI-JKSUJKDBSA-N 2 1 290.451 3.423 20 0 CGADMP C[C@@H]([NH2+]C1CC([NH3+])C1)c1cc(Cl)ccc1Cl ZINC001579414444 962631498 /nfs/dbraw/zinc/63/14/98/962631498.db2.gz BTDSRUMNLTYFDF-CUUXFQNZSA-N 2 1 259.180 3.134 20 0 CGADMP Cc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc(C)n1 ZINC001579593098 962640989 /nfs/dbraw/zinc/64/09/89/962640989.db2.gz VPBYFGPAMLCBPN-UHFFFAOYSA-N 2 1 283.419 3.049 20 0 CGADMP Cc1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc(C)n1 ZINC001579593098 962641000 /nfs/dbraw/zinc/64/10/00/962641000.db2.gz VPBYFGPAMLCBPN-UHFFFAOYSA-N 2 1 283.419 3.049 20 0 CGADMP Cc1ccc(F)cc1C[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C ZINC001579708403 962664561 /nfs/dbraw/zinc/66/45/61/962664561.db2.gz QVKUVFXMALHDSI-BBRMVZONSA-N 2 1 264.388 3.131 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)C12CCC2 ZINC001580162866 962698282 /nfs/dbraw/zinc/69/82/82/962698282.db2.gz HDIITPZDEXMUNM-STQMWFEESA-N 2 1 285.218 3.353 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC001580288746 962703734 /nfs/dbraw/zinc/70/37/34/962703734.db2.gz WMYXNJYXTKDLKG-AWEZNQCLSA-N 2 1 286.375 3.243 20 0 CGADMP [NH3+]C[C@H]1CC[C@H](C[N@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC001580331260 962712497 /nfs/dbraw/zinc/71/24/97/962712497.db2.gz IHFPGCUCPXEOHY-QAQDUYKDSA-N 2 1 294.483 3.177 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000337384045 214045055 /nfs/dbraw/zinc/04/50/55/214045055.db2.gz GFNOJPMGCGSWPJ-CQSZACIVSA-N 2 1 292.471 3.237 20 0 CGADMP CCCc1ccc(C[NH2+]C2CC[NH+](CC)CC2)s1 ZINC000621326845 349496628 /nfs/dbraw/zinc/49/66/28/349496628.db2.gz VYDDOQGOVZRVCF-UHFFFAOYSA-N 2 1 266.454 3.275 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000651228854 398219137 /nfs/dbraw/zinc/21/91/37/398219137.db2.gz MEEYOGQYLPCYFX-ZBFHGGJFSA-N 2 1 282.472 3.044 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000337488448 214116026 /nfs/dbraw/zinc/11/60/26/214116026.db2.gz UOGPISHRJZLBIN-QZTJIDSGSA-N 2 1 284.447 3.431 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000337488447 214116314 /nfs/dbraw/zinc/11/63/14/214116314.db2.gz UOGPISHRJZLBIN-MSOLQXFVSA-N 2 1 284.447 3.431 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621402121 349520958 /nfs/dbraw/zinc/52/09/58/349520958.db2.gz TZFDGESXKXXPPO-AWEZNQCLSA-N 2 1 285.382 3.385 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273069749 192036146 /nfs/dbraw/zinc/03/61/46/192036146.db2.gz NCLBJLFEKRQPAQ-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@]2(C)CC)C1 ZINC000651685976 398269191 /nfs/dbraw/zinc/26/91/91/398269191.db2.gz LFTHRPVHXGENLU-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000651686331 398269304 /nfs/dbraw/zinc/26/93/04/398269304.db2.gz XZLLDUMINXAOEO-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000651686331 398269308 /nfs/dbraw/zinc/26/93/08/398269308.db2.gz XZLLDUMINXAOEO-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000651706240 398272713 /nfs/dbraw/zinc/27/27/13/398272713.db2.gz XYWBWFFDKBFPIA-CVEARBPZSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCCC[C@@H]2C)CCCO1 ZINC000651786293 398288063 /nfs/dbraw/zinc/28/80/63/398288063.db2.gz REAOPWOLOCHQTE-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCCC[C@@H]2C)CCCO1 ZINC000651786293 398288065 /nfs/dbraw/zinc/28/80/65/398288065.db2.gz REAOPWOLOCHQTE-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000125475685 187186470 /nfs/dbraw/zinc/18/64/70/187186470.db2.gz ZBDZEKCTMLIRNE-ZDUSSCGKSA-N 2 1 274.433 3.285 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000651866170 398298855 /nfs/dbraw/zinc/29/88/55/398298855.db2.gz XMFVLOOCEKRPPQ-MRXNPFEDSA-N 2 1 290.451 3.120 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337988862 214345864 /nfs/dbraw/zinc/34/58/64/214345864.db2.gz OSGCWGPESLBQGD-KKUMJFAQSA-N 2 1 258.425 3.225 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337988862 214345866 /nfs/dbraw/zinc/34/58/66/214345866.db2.gz OSGCWGPESLBQGD-KKUMJFAQSA-N 2 1 258.425 3.225 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000338011571 214358809 /nfs/dbraw/zinc/35/88/09/214358809.db2.gz HDCFMPNGOCVWBI-CYBMUJFWSA-N 2 1 275.371 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000338011798 214359314 /nfs/dbraw/zinc/35/93/14/214359314.db2.gz PNCRSCNOOIBORX-JTQLQIEISA-N 2 1 297.324 3.350 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CC2 ZINC000651959659 398312932 /nfs/dbraw/zinc/31/29/32/398312932.db2.gz WYGWRDGFBNGCMU-QGZVFWFLSA-N 2 1 281.403 3.233 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000652190710 398326786 /nfs/dbraw/zinc/32/67/86/398326786.db2.gz YFFFDROSGRJAEM-ZDUSSCGKSA-N 2 1 293.773 3.032 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423473735 529453564 /nfs/dbraw/zinc/45/35/64/529453564.db2.gz QVJLWYLXKSQHKN-SCZZXKLOSA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423478455 529453573 /nfs/dbraw/zinc/45/35/73/529453573.db2.gz UPPDCKVPKIVTEL-HKUYNNGSSA-N 2 1 298.430 3.306 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000341366069 282180362 /nfs/dbraw/zinc/18/03/62/282180362.db2.gz IUNVGASDQQPHJP-UBHUBRDASA-N 2 1 292.389 3.285 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423477948 529568438 /nfs/dbraw/zinc/56/84/38/529568438.db2.gz UHVNDMCZXAXHJL-QPUJVOFHSA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473182 529568725 /nfs/dbraw/zinc/56/87/25/529568725.db2.gz QOMGZYXLOOQDLT-ZIAGYGMSSA-N 2 1 252.789 3.118 20 0 CGADMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccccc1OC ZINC000423282912 529590769 /nfs/dbraw/zinc/59/07/69/529590769.db2.gz DKBSOBSEBILEHO-AWEZNQCLSA-N 2 1 264.413 3.253 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414855568 295684025 /nfs/dbraw/zinc/68/40/25/295684025.db2.gz XBJAOPJPWNFGBY-DZGCQCFKSA-N 2 1 280.481 3.303 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000423276842 529611921 /nfs/dbraw/zinc/61/19/21/529611921.db2.gz OYDUDQRACVGBIO-KGLIPLIRSA-N 2 1 299.256 3.473 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000623335830 349780929 /nfs/dbraw/zinc/78/09/29/349780929.db2.gz GUFOVBREYBOKAY-UHFFFAOYSA-N 2 1 294.386 3.444 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623364508 349790921 /nfs/dbraw/zinc/79/09/21/349790921.db2.gz APYVFBQQDUEKPD-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CC[C@@H](N[C@@H]2CCCc3occc32)CC1(C)C ZINC000623356177 349787499 /nfs/dbraw/zinc/78/74/99/349787499.db2.gz AZLJUELTWODCEF-TZMCWYRMSA-N 2 1 262.397 3.119 20 0 CGADMP CN1CC[C@@H]([NH2+][C@@H]2CCCc3occc32)CC1(C)C ZINC000623356177 349787502 /nfs/dbraw/zinc/78/75/02/349787502.db2.gz AZLJUELTWODCEF-TZMCWYRMSA-N 2 1 262.397 3.119 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3occc32)CC1(C)C ZINC000623356177 349787504 /nfs/dbraw/zinc/78/75/04/349787504.db2.gz AZLJUELTWODCEF-TZMCWYRMSA-N 2 1 262.397 3.119 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3occc32)CC1(C)C ZINC000623356177 349787506 /nfs/dbraw/zinc/78/75/06/349787506.db2.gz AZLJUELTWODCEF-TZMCWYRMSA-N 2 1 262.397 3.119 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(Br)c1 ZINC000423281285 529668600 /nfs/dbraw/zinc/66/86/00/529668600.db2.gz UCMNMDQNEYMWBM-UONOGXRCSA-N 2 1 297.240 3.227 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623408027 349800474 /nfs/dbraw/zinc/80/04/74/349800474.db2.gz FALVJABTNAYLMO-DOTOQJQBSA-N 2 1 272.436 3.445 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)CC1(C)C ZINC000623410981 349802217 /nfs/dbraw/zinc/80/22/17/349802217.db2.gz ORFYVNSBBGRKCV-LSDHHAIUSA-N 2 1 288.435 3.015 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000623417542 349803869 /nfs/dbraw/zinc/80/38/69/349803869.db2.gz BVQQFCAIRQDRTA-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@@H](N[C@H]2CSc3ccccc32)CC1(C)C ZINC000623424376 349804656 /nfs/dbraw/zinc/80/46/56/349804656.db2.gz PAGWNGREHCBYBF-OCCSQVGLSA-N 2 1 276.449 3.296 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)CC1(C)C ZINC000623429756 349807161 /nfs/dbraw/zinc/80/71/61/349807161.db2.gz OIJWCABGLGAAEN-CQSZACIVSA-N 2 1 252.446 3.418 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000423518038 529729308 /nfs/dbraw/zinc/72/93/08/529729308.db2.gz ZBBGEFBGTSKVCW-ZWNOBZJWSA-N 2 1 281.469 3.182 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000366258082 529729923 /nfs/dbraw/zinc/72/99/23/529729923.db2.gz GQDZBPGEVPMCPF-IACUBPJLSA-N 2 1 293.480 3.291 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000366258082 529729925 /nfs/dbraw/zinc/72/99/25/529729925.db2.gz GQDZBPGEVPMCPF-IACUBPJLSA-N 2 1 293.480 3.291 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC2CC(OC(C)(C)C)C2)CC1(C)C ZINC000623507562 349823725 /nfs/dbraw/zinc/82/37/25/349823725.db2.gz QKZSGCGMRRFRIK-HWOWSKLDSA-N 2 1 296.499 3.433 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2(Cc3ccccc3)CC2)CC1(C)C ZINC000623495587 349820066 /nfs/dbraw/zinc/82/00/66/349820066.db2.gz IZOSMMNQGLWHRD-INIZCTEOSA-N 2 1 272.436 3.224 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623493577 349820174 /nfs/dbraw/zinc/82/01/74/349820174.db2.gz KNMLQNYGMATFFI-RRFJBIMHSA-N 2 1 282.472 3.041 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCSc3ccc(Cl)cc3)C[C@H]12 ZINC000351473293 219098685 /nfs/dbraw/zinc/09/86/85/219098685.db2.gz DHAKJGDQBBOPRL-TUKIKUTGSA-N 2 1 296.867 3.101 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)CC1(C)C ZINC000623532695 349827543 /nfs/dbraw/zinc/82/75/43/349827543.db2.gz BVTWQXWKPVGOCY-MOKVOYLWSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1csc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623538851 349829078 /nfs/dbraw/zinc/82/90/78/349829078.db2.gz XLGNIHCAFFZQKH-LBPRGKRZSA-N 2 1 252.427 3.019 20 0 CGADMP CO[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538700 349829547 /nfs/dbraw/zinc/82/95/47/349829547.db2.gz QSJIIYSPYNBXLE-AEFFLSMTSA-N 2 1 290.451 3.011 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCCC2)C[C@H]1c1ccccc1 ZINC000334978655 529795767 /nfs/dbraw/zinc/79/57/67/529795767.db2.gz HGARMCFUZYLAOU-SJORKVTESA-N 2 1 258.409 3.354 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCCC2)C[C@H]1c1ccccc1 ZINC000334978655 529795768 /nfs/dbraw/zinc/79/57/68/529795768.db2.gz HGARMCFUZYLAOU-SJORKVTESA-N 2 1 258.409 3.354 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000623657387 349859651 /nfs/dbraw/zinc/85/96/51/349859651.db2.gz PKAKDCRKNICCFI-YVZNUBBCSA-N 2 1 294.389 3.300 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000623657385 349859764 /nfs/dbraw/zinc/85/97/64/349859764.db2.gz PKAKDCRKNICCFI-SDQPKGBYSA-N 2 1 294.389 3.300 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000128045872 187348398 /nfs/dbraw/zinc/34/83/98/187348398.db2.gz CZAPBSGIJZWERC-NWANDNLSSA-N 2 1 278.465 3.204 20 0 CGADMP Cc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000623655430 349856925 /nfs/dbraw/zinc/85/69/25/349856925.db2.gz XLRLGGLHGFNBDY-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP c1ccc(SCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000128101751 187351227 /nfs/dbraw/zinc/35/12/27/187351227.db2.gz OWAILAYRRSCDTI-UHFFFAOYSA-N 2 1 290.476 3.243 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)s1 ZINC000044534069 345013126 /nfs/dbraw/zinc/01/31/26/345013126.db2.gz MDLQPCAGRJCCQL-WDEREUQCSA-N 2 1 272.845 3.394 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000044534069 345013128 /nfs/dbraw/zinc/01/31/28/345013128.db2.gz MDLQPCAGRJCCQL-WDEREUQCSA-N 2 1 272.845 3.394 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC=C(C)C)CC1 ZINC000052209718 345100524 /nfs/dbraw/zinc/10/05/24/345100524.db2.gz YEVKWOHAXNJSFI-UHFFFAOYSA-N 2 1 252.446 3.397 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188425 345244313 /nfs/dbraw/zinc/24/43/13/345244313.db2.gz MHXJETCRVBJQIU-KBPBESRZSA-N 2 1 264.438 3.163 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188425 345244315 /nfs/dbraw/zinc/24/43/15/345244315.db2.gz MHXJETCRVBJQIU-KBPBESRZSA-N 2 1 264.438 3.163 20 0 CGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CC(C)(C)C)c2)CCO1 ZINC000066989573 345311027 /nfs/dbraw/zinc/31/10/27/345311027.db2.gz DCMWLLFOLINVDU-HNNXBMFYSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CC(C)(C)C)c2)CCO1 ZINC000066989573 345311030 /nfs/dbraw/zinc/31/10/30/345311030.db2.gz DCMWLLFOLINVDU-HNNXBMFYSA-N 2 1 290.451 3.043 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000068722486 345359856 /nfs/dbraw/zinc/35/98/56/345359856.db2.gz SBLDFHGXLGWRMY-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000096543568 232181413 /nfs/dbraw/zinc/18/14/13/232181413.db2.gz XOPGCLPBUWMWML-CQSZACIVSA-N 2 1 278.465 3.401 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1 ZINC000071376869 345402381 /nfs/dbraw/zinc/40/23/81/345402381.db2.gz GURSJTUYDKJEOE-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1 ZINC000071376869 345402384 /nfs/dbraw/zinc/40/23/84/345402384.db2.gz GURSJTUYDKJEOE-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(Cl)c1 ZINC000075819406 345524129 /nfs/dbraw/zinc/52/41/29/345524129.db2.gz RIPGOOVCFJZUJL-UHFFFAOYSA-N 2 1 263.772 3.025 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000080338831 345671411 /nfs/dbraw/zinc/67/14/11/345671411.db2.gz VGHHUUULVOIHPZ-VQIMIIECSA-N 2 1 295.430 3.224 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000080338831 345671414 /nfs/dbraw/zinc/67/14/14/345671414.db2.gz VGHHUUULVOIHPZ-VQIMIIECSA-N 2 1 295.430 3.224 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000480194464 535003149 /nfs/dbraw/zinc/00/31/49/535003149.db2.gz MLRLVWPDJSLPGT-GUYCJALGSA-N 2 1 278.415 3.379 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000156562234 232229307 /nfs/dbraw/zinc/22/93/07/232229307.db2.gz QUKLLDKILKHNFS-IPYPFGDCSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000156562234 232229310 /nfs/dbraw/zinc/22/93/10/232229310.db2.gz QUKLLDKILKHNFS-IPYPFGDCSA-N 2 1 264.388 3.267 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000090116761 345784198 /nfs/dbraw/zinc/78/41/98/345784198.db2.gz JNWMPGNSMDJMEO-GUTXKFCHSA-N 2 1 296.842 3.037 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)[C@@H]1OC ZINC000092768555 345858017 /nfs/dbraw/zinc/85/80/17/345858017.db2.gz XFMKZIMIBYKDRW-HHARLNAUSA-N 2 1 294.483 3.043 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC000124752353 346013817 /nfs/dbraw/zinc/01/38/17/346013817.db2.gz WCIXDIZLKAHEAS-CQSZACIVSA-N 2 1 256.393 3.442 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)oc2cc1C ZINC000125522489 346017517 /nfs/dbraw/zinc/01/75/17/346017517.db2.gz XTIJPYHBSAAGGC-OAHLLOKOSA-N 2 1 286.419 3.433 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)oc2cc1C ZINC000125522489 346017522 /nfs/dbraw/zinc/01/75/22/346017522.db2.gz XTIJPYHBSAAGGC-OAHLLOKOSA-N 2 1 286.419 3.433 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129361539 346049011 /nfs/dbraw/zinc/04/90/11/346049011.db2.gz WIGWYTKPLISXIX-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000233517371 346329554 /nfs/dbraw/zinc/32/95/54/346329554.db2.gz OABIADUDSHXDFX-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000233517371 346329558 /nfs/dbraw/zinc/32/95/58/346329558.db2.gz OABIADUDSHXDFX-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250510946 346385940 /nfs/dbraw/zinc/38/59/40/346385940.db2.gz OVQQFLWKHBTETD-OIISXLGYSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[NH+](C/C=C\C[N@H+](CCC)C1CC1)C1CC1 ZINC000254966636 346396302 /nfs/dbraw/zinc/39/63/02/346396302.db2.gz QDYORFUPOIHDMQ-WAYWQWQTSA-N 2 1 250.430 3.291 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000311747037 346474873 /nfs/dbraw/zinc/47/48/73/346474873.db2.gz SQDMOJUDOQUVEG-JKSUJKDBSA-N 2 1 262.441 3.499 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000311747037 346474874 /nfs/dbraw/zinc/47/48/74/346474874.db2.gz SQDMOJUDOQUVEG-JKSUJKDBSA-N 2 1 262.441 3.499 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000312628066 346477707 /nfs/dbraw/zinc/47/77/07/346477707.db2.gz RPNRIBOXIUDIJB-WMZOPIPTSA-N 2 1 272.436 3.358 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068106 346500974 /nfs/dbraw/zinc/50/09/74/346500974.db2.gz NXOZHSRVMWUVHN-YHUYYLMFSA-N 2 1 282.497 3.267 20 0 CGADMP C[C@@H](CSCCF)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000595013733 347257284 /nfs/dbraw/zinc/25/72/84/347257284.db2.gz SKAVPILOGBOZDH-CABCVRRESA-N 2 1 290.492 3.179 20 0 CGADMP C[C@H](CSCCF)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000595014935 347257360 /nfs/dbraw/zinc/25/73/60/347257360.db2.gz VSSDINAQKWBHFQ-HUUCEWRRSA-N 2 1 290.492 3.322 20 0 CGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC[C@H](C)F)C1)CCCC2 ZINC000351821280 219215978 /nfs/dbraw/zinc/21/59/78/219215978.db2.gz HMNGDBXZPRCKNV-JSGCOSHPSA-N 2 1 279.403 3.065 20 0 CGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC[C@H](C)F)C1)CCCC2 ZINC000351821280 219215982 /nfs/dbraw/zinc/21/59/82/219215982.db2.gz HMNGDBXZPRCKNV-JSGCOSHPSA-N 2 1 279.403 3.065 20 0 CGADMP CC[C@@H](C)C[NH+](C)C/C=C\C[N@H+](C)C[C@@H](C)CC ZINC000600655252 347826711 /nfs/dbraw/zinc/82/67/11/347826711.db2.gz TUFMLJVZMHNLFJ-YQYKAEFUSA-N 2 1 254.462 3.498 20 0 CGADMP CC[C@@H](C)C[N@@H+](C)C/C=C\C[NH+](C)C[C@@H](C)CC ZINC000600655252 347826713 /nfs/dbraw/zinc/82/67/13/347826713.db2.gz TUFMLJVZMHNLFJ-YQYKAEFUSA-N 2 1 254.462 3.498 20 0 CGADMP CC[C@@H](C)C[N@H+](C)C/C=C\C[NH+](C)C[C@@H](C)CC ZINC000600655252 347826715 /nfs/dbraw/zinc/82/67/15/347826715.db2.gz TUFMLJVZMHNLFJ-YQYKAEFUSA-N 2 1 254.462 3.498 20 0 CGADMP CC[C@H](C)C[NH+](C)C/C=C/C[N@H+](C)C[C@@H](C)CC ZINC000600655239 347826773 /nfs/dbraw/zinc/82/67/73/347826773.db2.gz TUFMLJVZMHNLFJ-IGXNXKSNSA-N 2 1 254.462 3.498 20 0 CGADMP CC[C@H](C)C[NH+](C)C/C=C\C[N@H+](C)C[C@@H](C)CC ZINC000600655250 347826825 /nfs/dbraw/zinc/82/68/25/347826825.db2.gz TUFMLJVZMHNLFJ-VNEPOGMYSA-N 2 1 254.462 3.498 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)o1 ZINC000624121062 349979029 /nfs/dbraw/zinc/97/90/29/349979029.db2.gz NAQIVXLIORGQKD-ZIAGYGMSSA-N 2 1 264.413 3.225 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000624121062 349979030 /nfs/dbraw/zinc/97/90/30/349979030.db2.gz NAQIVXLIORGQKD-ZIAGYGMSSA-N 2 1 264.413 3.225 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121849 349979793 /nfs/dbraw/zinc/97/97/93/349979793.db2.gz DVWMHRXGZSUWCA-YVEFUNNKSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121849 349979796 /nfs/dbraw/zinc/97/97/96/349979796.db2.gz DVWMHRXGZSUWCA-YVEFUNNKSA-N 2 1 294.389 3.274 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000624122196 349979960 /nfs/dbraw/zinc/97/99/60/349979960.db2.gz MAZRJTKKQDWAJF-JKSUJKDBSA-N 2 1 289.467 3.135 20 0 CGADMP CCSCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000602731933 348019912 /nfs/dbraw/zinc/01/99/12/348019912.db2.gz FGXKMVCRVYGMOI-UHFFFAOYSA-N 2 1 270.486 3.080 20 0 CGADMP CC(C)CSCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877756 348039732 /nfs/dbraw/zinc/03/97/32/348039732.db2.gz PCFINZXLGRMONS-UHFFFAOYSA-N 2 1 284.513 3.183 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624122561 349982107 /nfs/dbraw/zinc/98/21/07/349982107.db2.gz VELXFOBPMRZDBP-CVEARBPZSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624122561 349982108 /nfs/dbraw/zinc/98/21/08/349982108.db2.gz VELXFOBPMRZDBP-CVEARBPZSA-N 2 1 275.440 3.244 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000624123170 349983108 /nfs/dbraw/zinc/98/31/08/349983108.db2.gz HBWYPQKZCXNSGD-VQIMIIECSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C/C=C/C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000613319808 348589848 /nfs/dbraw/zinc/58/98/48/348589848.db2.gz PKWYBTQGFIMSOI-ONQYKWIUSA-N 2 1 278.484 3.498 20 0 CGADMP Cc1ccc(C)c(OCCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000613418096 348599102 /nfs/dbraw/zinc/59/91/02/348599102.db2.gz IUBDUSLCJMDYKO-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP CC(C)[C@H](C)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)C(C)C ZINC000613628940 348624116 /nfs/dbraw/zinc/62/41/16/348624116.db2.gz BURAMHCDSIYHMR-IGXNXKSNSA-N 2 1 254.462 3.495 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000358089311 233056261 /nfs/dbraw/zinc/05/62/61/233056261.db2.gz UDVYVFNYSOWIEK-CHWSQXEVSA-N 2 1 277.456 3.488 20 0 CGADMP c1c2ccccc2oc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358163633 233069991 /nfs/dbraw/zinc/06/99/91/233069991.db2.gz XFIUVBLHCMKWSO-HOTGVXAUSA-N 2 1 284.403 3.192 20 0 CGADMP Cc1cncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000358359157 233116922 /nfs/dbraw/zinc/11/69/22/233116922.db2.gz ASMWDCGRUUKDOR-UHFFFAOYSA-N 2 1 287.451 3.277 20 0 CGADMP C[C@@H](F)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352014679 219290012 /nfs/dbraw/zinc/29/00/12/219290012.db2.gz NUQFSGUKRJGAAK-NVXWUHKLSA-N 2 1 278.415 3.188 20 0 CGADMP C[C@@H](F)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352014679 219290013 /nfs/dbraw/zinc/29/00/13/219290013.db2.gz NUQFSGUKRJGAAK-NVXWUHKLSA-N 2 1 278.415 3.188 20 0 CGADMP C[C@@H](F)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352014679 219290015 /nfs/dbraw/zinc/29/00/15/219290015.db2.gz NUQFSGUKRJGAAK-NVXWUHKLSA-N 2 1 278.415 3.188 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC23CC3)[C@H]2CCC[C@H]21 ZINC000624315973 350025401 /nfs/dbraw/zinc/02/54/01/350025401.db2.gz HTIOPAUMHMDWEV-XUWVNRHRSA-N 2 1 262.441 3.029 20 0 CGADMP Fc1cccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000359222764 233281842 /nfs/dbraw/zinc/28/18/42/233281842.db2.gz QNRGXLXVZZNZOU-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP Cc1c[nH+]ccc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000359530146 233329990 /nfs/dbraw/zinc/32/99/90/233329990.db2.gz GMLJXWLIZYNKJM-SFHVURJKSA-N 2 1 295.430 3.491 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000626164717 350276544 /nfs/dbraw/zinc/27/65/44/350276544.db2.gz OAYDUBVYNWLHPQ-ABCZVMIZSA-N 2 1 261.413 3.031 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000626164717 350276546 /nfs/dbraw/zinc/27/65/46/350276546.db2.gz OAYDUBVYNWLHPQ-ABCZVMIZSA-N 2 1 261.413 3.031 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000628183134 350427053 /nfs/dbraw/zinc/42/70/53/350427053.db2.gz RONCNSXGLCOIRE-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP CN(CCC[N@@H+](C)C[C@@]1(C)CCCS1)Cc1ccco1 ZINC000628275749 350474505 /nfs/dbraw/zinc/47/45/05/350474505.db2.gz BFSFFWAEGMKNJP-MRXNPFEDSA-N 2 1 296.480 3.319 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000628278470 350475654 /nfs/dbraw/zinc/47/56/54/350475654.db2.gz RMSAIYUALSWSPR-IAGOWNOFSA-N 2 1 274.452 3.418 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000628309459 350492926 /nfs/dbraw/zinc/49/29/26/350492926.db2.gz WMYQNXPCINCCGL-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000629531713 350704045 /nfs/dbraw/zinc/70/40/45/350704045.db2.gz VMTFYFRWLKKBST-INIZCTEOSA-N 2 1 289.467 3.471 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C2CC2)c1 ZINC000629540743 350707376 /nfs/dbraw/zinc/70/73/76/350707376.db2.gz SPBLITMEICDWLS-JLSDUUJJSA-N 2 1 272.436 3.046 20 0 CGADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000629571979 350713854 /nfs/dbraw/zinc/71/38/54/350713854.db2.gz LESUMLKQFOVCLY-HNNXBMFYSA-N 2 1 278.440 3.039 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629397450 350689364 /nfs/dbraw/zinc/68/93/64/350689364.db2.gz VQNBUBXOGNNYPY-VYDXJSESSA-N 2 1 260.425 3.046 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000629507726 350698902 /nfs/dbraw/zinc/69/89/02/350698902.db2.gz IBJQDRVAWJGLMW-OAHLLOKOSA-N 2 1 289.467 3.199 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000629507726 350698907 /nfs/dbraw/zinc/69/89/07/350698907.db2.gz IBJQDRVAWJGLMW-OAHLLOKOSA-N 2 1 289.467 3.199 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000629525925 350701927 /nfs/dbraw/zinc/70/19/27/350701927.db2.gz GRFLLPJTGKVBLA-VNQPRFMTSA-N 2 1 260.425 3.083 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629656948 350731328 /nfs/dbraw/zinc/73/13/28/350731328.db2.gz SDSVBHJGOJCUJD-PWSUYJOCSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629656948 350731331 /nfs/dbraw/zinc/73/13/31/350731331.db2.gz SDSVBHJGOJCUJD-PWSUYJOCSA-N 2 1 292.370 3.016 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629662841 350732780 /nfs/dbraw/zinc/73/27/80/350732780.db2.gz DQBFRBNRYVDPSN-RYQLBKOJSA-N 2 1 272.436 3.112 20 0 CGADMP CCC1([NH+]2CCCC2)CCN(c2cccc(C)[nH+]2)CC1 ZINC000631449316 351043274 /nfs/dbraw/zinc/04/32/74/351043274.db2.gz OYCLMXLWCCZSDZ-UHFFFAOYSA-N 2 1 273.424 3.235 20 0 CGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000631635497 351100586 /nfs/dbraw/zinc/10/05/86/351100586.db2.gz LWALSROOGBZFDE-SFHVURJKSA-N 2 1 288.435 3.147 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000291374563 198004282 /nfs/dbraw/zinc/00/42/82/198004282.db2.gz YYUFMFVENFXQOS-ZWKOTPCHSA-N 2 1 270.420 3.089 20 0 CGADMP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732222 351576885 /nfs/dbraw/zinc/57/68/85/351576885.db2.gz AYMGZHUZFUCFAU-CQSZACIVSA-N 2 1 264.388 3.002 20 0 CGADMP c1ccc([C@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)CC23CCC3)cc1 ZINC000634996703 351621029 /nfs/dbraw/zinc/62/10/29/351621029.db2.gz QZSPWNJKAZRVQS-URSIVYNOSA-N 2 1 282.431 3.008 20 0 CGADMP c1ccc([C@H]2C[N@H+](CC34CC(C3)C[NH2+]4)CC23CCC3)cc1 ZINC000634996703 351621031 /nfs/dbraw/zinc/62/10/31/351621031.db2.gz QZSPWNJKAZRVQS-URSIVYNOSA-N 2 1 282.431 3.008 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000635007703 351625670 /nfs/dbraw/zinc/62/56/70/351625670.db2.gz BCXSWVVEYQOPPC-OLZOCXBDSA-N 2 1 250.386 3.017 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012817 351630597 /nfs/dbraw/zinc/63/05/97/351630597.db2.gz VRBKPZZFEWIPCQ-UKRRQHHQSA-N 2 1 275.440 3.073 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000122059240 187012933 /nfs/dbraw/zinc/01/29/33/187012933.db2.gz VKZNZLYAZJPMSV-HOTGVXAUSA-N 2 1 250.430 3.053 20 0 CGADMP CCOC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122358825 187028846 /nfs/dbraw/zinc/02/88/46/187028846.db2.gz NVPSLNIIHJZUKM-UONOGXRCSA-N 2 1 287.407 3.256 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000122885210 187057894 /nfs/dbraw/zinc/05/78/94/187057894.db2.gz HXYKWQZIRKBSFV-UHFFFAOYSA-N 2 1 290.407 3.263 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123362560 187086953 /nfs/dbraw/zinc/08/69/53/187086953.db2.gz QAFZHECUJZJBBS-OCCSQVGLSA-N 2 1 272.392 3.314 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123362560 187086954 /nfs/dbraw/zinc/08/69/54/187086954.db2.gz QAFZHECUJZJBBS-OCCSQVGLSA-N 2 1 272.392 3.314 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000271476109 191160065 /nfs/dbraw/zinc/16/00/65/191160065.db2.gz MODZZYSLHMLYHI-IOASZLSFSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000271476109 191160068 /nfs/dbraw/zinc/16/00/68/191160068.db2.gz MODZZYSLHMLYHI-IOASZLSFSA-N 2 1 272.392 3.251 20 0 CGADMP Cc1c([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C(C)C ZINC000364958443 234073474 /nfs/dbraw/zinc/07/34/74/234073474.db2.gz XNMANSFSEGBZFW-IMJJTQAJSA-N 2 1 290.455 3.050 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1C(C)C ZINC000364958443 234073478 /nfs/dbraw/zinc/07/34/78/234073478.db2.gz XNMANSFSEGBZFW-IMJJTQAJSA-N 2 1 290.455 3.050 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C(C)C ZINC000364958443 234073482 /nfs/dbraw/zinc/07/34/82/234073482.db2.gz XNMANSFSEGBZFW-IMJJTQAJSA-N 2 1 290.455 3.050 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000365632411 234118678 /nfs/dbraw/zinc/11/86/78/234118678.db2.gz SUARCUGWXRSUID-KRWDZBQOSA-N 2 1 283.419 3.417 20 0 CGADMP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(C)c1 ZINC000366267073 234160252 /nfs/dbraw/zinc/16/02/52/234160252.db2.gz JJPDKXLBRKZJRZ-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000366690443 234184231 /nfs/dbraw/zinc/18/42/31/234184231.db2.gz AMJIZGFDXSHNMD-RBUKOAKNSA-N 2 1 284.447 3.483 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000367698439 234243642 /nfs/dbraw/zinc/24/36/42/234243642.db2.gz FHXAFRRODLGCSL-OAHLLOKOSA-N 2 1 281.359 3.156 20 0 CGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOC2CCC2)C1 ZINC000367739917 234248270 /nfs/dbraw/zinc/24/82/70/234248270.db2.gz YGCHRBPMAXAYCK-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOC2CCC2)C1 ZINC000367739917 234248275 /nfs/dbraw/zinc/24/82/75/234248275.db2.gz YGCHRBPMAXAYCK-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000367739917 234248279 /nfs/dbraw/zinc/24/82/79/234248279.db2.gz YGCHRBPMAXAYCK-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000367739917 234248283 /nfs/dbraw/zinc/24/82/83/234248283.db2.gz YGCHRBPMAXAYCK-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)C1 ZINC000459738483 290353484 /nfs/dbraw/zinc/35/34/84/290353484.db2.gz RVIAARXRHPPUSJ-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000152437748 188018123 /nfs/dbraw/zinc/01/81/23/188018123.db2.gz VMMJQDNUKJNBQX-SJCJKPOMSA-N 2 1 294.389 3.490 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000152437748 188018124 /nfs/dbraw/zinc/01/81/24/188018124.db2.gz VMMJQDNUKJNBQX-SJCJKPOMSA-N 2 1 294.389 3.490 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000369721340 234395703 /nfs/dbraw/zinc/39/57/03/234395703.db2.gz MTTRSNPLOVTDRD-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292682055 198374554 /nfs/dbraw/zinc/37/45/54/198374554.db2.gz ATQODMZFQCMWQH-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292682055 198374555 /nfs/dbraw/zinc/37/45/55/198374555.db2.gz ATQODMZFQCMWQH-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292682055 198374556 /nfs/dbraw/zinc/37/45/56/198374556.db2.gz ATQODMZFQCMWQH-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000298062580 283005484 /nfs/dbraw/zinc/00/54/84/283005484.db2.gz KFBLNEANSYKQFV-GOSISDBHSA-N 2 1 288.410 3.420 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411631895 235071798 /nfs/dbraw/zinc/07/17/98/235071798.db2.gz CQORDAUSPCGLTO-IKGGRYGDSA-N 2 1 276.399 3.098 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411631895 235071801 /nfs/dbraw/zinc/07/18/01/235071801.db2.gz CQORDAUSPCGLTO-IKGGRYGDSA-N 2 1 276.399 3.098 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000414097655 235334850 /nfs/dbraw/zinc/33/48/50/235334850.db2.gz IJZZSXPXEQDEMJ-KKUMJFAQSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000414097655 235334852 /nfs/dbraw/zinc/33/48/52/235334852.db2.gz IJZZSXPXEQDEMJ-KKUMJFAQSA-N 2 1 276.424 3.137 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000414176071 235354376 /nfs/dbraw/zinc/35/43/76/235354376.db2.gz HJCSRQIQLKGCIZ-UUIJZJDISA-N 2 1 296.817 3.407 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@H+]1C ZINC000414176071 235354380 /nfs/dbraw/zinc/35/43/80/235354380.db2.gz HJCSRQIQLKGCIZ-UUIJZJDISA-N 2 1 296.817 3.407 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000414176010 235354507 /nfs/dbraw/zinc/35/45/07/235354507.db2.gz IUTSQUAMPHBAEQ-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000414181770 235355921 /nfs/dbraw/zinc/35/59/21/235355921.db2.gz MVJNRUZJLBGETR-GJZGRUSLSA-N 2 1 288.435 3.099 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000414201329 235362781 /nfs/dbraw/zinc/36/27/81/235362781.db2.gz YAJTXVOEEZYJKF-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000272979917 192005134 /nfs/dbraw/zinc/00/51/34/192005134.db2.gz UMCANGNPVRZJLO-UHFFFAOYSA-N 2 1 287.382 3.257 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415040579 235516437 /nfs/dbraw/zinc/51/64/37/235516437.db2.gz KGQQIHGDVZIGAT-QZTJIDSGSA-N 2 1 272.436 3.267 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142428 283186702 /nfs/dbraw/zinc/18/67/02/283186702.db2.gz VDLLQYXIYTYWHB-XWTMOSNGSA-N 2 1 295.515 3.007 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000111380738 138363783 /nfs/dbraw/zinc/36/37/83/138363783.db2.gz WUWQQYZVISCSGV-AWEZNQCLSA-N 2 1 286.341 3.409 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000111380738 138363784 /nfs/dbraw/zinc/36/37/84/138363784.db2.gz WUWQQYZVISCSGV-AWEZNQCLSA-N 2 1 286.341 3.409 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000111695554 138364706 /nfs/dbraw/zinc/36/47/06/138364706.db2.gz GCXHJOFCKBBYAK-ZBFHGGJFSA-N 2 1 268.404 3.399 20 0 CGADMP CCC[NH+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198119 138365075 /nfs/dbraw/zinc/36/50/75/138365075.db2.gz DKISMWDVWHFWEL-UHFFFAOYSA-N 2 1 290.455 3.184 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC000421820546 235866706 /nfs/dbraw/zinc/86/67/06/235866706.db2.gz MUGYVPJWKUSBPP-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000128491948 138393626 /nfs/dbraw/zinc/39/36/26/138393626.db2.gz OAATYIIMHBFIMY-INIZCTEOSA-N 2 1 271.408 3.040 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000128491948 138393627 /nfs/dbraw/zinc/39/36/27/138393627.db2.gz OAATYIIMHBFIMY-INIZCTEOSA-N 2 1 271.408 3.040 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423334064 236041889 /nfs/dbraw/zinc/04/18/89/236041889.db2.gz SGMXEFFPMDDUFF-OPRDCNLKSA-N 2 1 291.222 3.086 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423393216 236061880 /nfs/dbraw/zinc/06/18/80/236061880.db2.gz MAZJQJDVJHECPQ-SUHUHFCYSA-N 2 1 286.341 3.278 20 0 CGADMP Cc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CCC2)o1 ZINC000423362586 236050755 /nfs/dbraw/zinc/05/07/55/236050755.db2.gz NBEGJSALVFMULS-GDBMZVCRSA-N 2 1 262.397 3.161 20 0 CGADMP COc1ccc([C@@H](CCC(C)C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423375597 236055698 /nfs/dbraw/zinc/05/56/98/236055698.db2.gz UGOZAMBDYOKFAY-XJKSGUPXSA-N 2 1 264.413 3.109 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423502902 236088712 /nfs/dbraw/zinc/08/87/12/236088712.db2.gz FNNDHDGBTJHOGS-MSOLQXFVSA-N 2 1 288.435 3.180 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000424365931 236157383 /nfs/dbraw/zinc/15/73/83/236157383.db2.gz HZOJZWNCCUSFQW-ZIAGYGMSSA-N 2 1 252.789 3.008 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000424336713 236153429 /nfs/dbraw/zinc/15/34/29/236153429.db2.gz QSEDGJPZMJWHAI-CHWSQXEVSA-N 2 1 273.207 3.353 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccsc1 ZINC000294411934 199030278 /nfs/dbraw/zinc/03/02/78/199030278.db2.gz MXNFVOJAYHZDBB-CQSZACIVSA-N 2 1 252.427 3.273 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000294923069 199251521 /nfs/dbraw/zinc/25/15/21/199251521.db2.gz UAWNEXWFQIWEIE-OAHLLOKOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000294923069 199251523 /nfs/dbraw/zinc/25/15/23/199251523.db2.gz UAWNEXWFQIWEIE-OAHLLOKOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000436470750 237112109 /nfs/dbraw/zinc/11/21/09/237112109.db2.gz OJCHDTWYERPDHP-UHFFFAOYSA-N 2 1 263.429 3.386 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCc2cccc(Cl)c2)C1 ZINC000297426448 200186812 /nfs/dbraw/zinc/18/68/12/200186812.db2.gz MTZAIOXRFHTTKG-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCc2cccc(Cl)c2)C1 ZINC000297426448 200186813 /nfs/dbraw/zinc/18/68/13/200186813.db2.gz MTZAIOXRFHTTKG-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCc2cccc(Cl)c2)C1 ZINC000297426448 200186815 /nfs/dbraw/zinc/18/68/15/200186815.db2.gz MTZAIOXRFHTTKG-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP Cn1cncc1CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000297903975 200301428 /nfs/dbraw/zinc/30/14/28/200301428.db2.gz RTIRRKUZHCZEOY-MRXNPFEDSA-N 2 1 289.810 3.453 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000341866041 216130287 /nfs/dbraw/zinc/13/02/87/216130287.db2.gz OZFYEILYTBPNRL-HNNXBMFYSA-N 2 1 278.827 3.403 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000341866041 216130291 /nfs/dbraw/zinc/13/02/91/216130291.db2.gz OZFYEILYTBPNRL-HNNXBMFYSA-N 2 1 278.827 3.403 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC000177488005 189053770 /nfs/dbraw/zinc/05/37/70/189053770.db2.gz OADNSMXHFUSRLM-MRXNPFEDSA-N 2 1 290.451 3.227 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2ccccc2n1 ZINC000178038815 189087629 /nfs/dbraw/zinc/08/76/29/189087629.db2.gz MCPCCNHFGHJNSO-AWEZNQCLSA-N 2 1 285.435 3.473 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000178699589 189138069 /nfs/dbraw/zinc/13/80/69/189138069.db2.gz PKGQADNFTSVXSR-QWQRMKEZSA-N 2 1 283.419 3.351 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccsc1 ZINC000178706215 189138978 /nfs/dbraw/zinc/13/89/78/189138978.db2.gz QDHYLVUYBCECQT-NEPJUHHUSA-N 2 1 263.410 3.240 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179092446 189169142 /nfs/dbraw/zinc/16/91/42/189169142.db2.gz XZYBTNBGNUOSHS-GFCCVEGCSA-N 2 1 269.820 3.118 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)[C@H](C)C2 ZINC000180029165 189233080 /nfs/dbraw/zinc/23/30/80/189233080.db2.gz BQQKGTTZRRBQPO-AUUYWEPGSA-N 2 1 284.447 3.445 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180757897 189273785 /nfs/dbraw/zinc/27/37/85/189273785.db2.gz BWVGSZDCCRRUEP-HOTGVXAUSA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180757897 189273786 /nfs/dbraw/zinc/27/37/86/189273786.db2.gz BWVGSZDCCRRUEP-HOTGVXAUSA-N 2 1 290.451 3.261 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241400 189291857 /nfs/dbraw/zinc/29/18/57/189291857.db2.gz ZRMXOJFHEYAFHJ-BRWVUGGUSA-N 2 1 290.451 3.225 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000181906780 189309701 /nfs/dbraw/zinc/30/97/01/189309701.db2.gz CWLGCGOMYVQSAO-AWEZNQCLSA-N 2 1 291.439 3.028 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000342353154 216320002 /nfs/dbraw/zinc/32/00/02/216320002.db2.gz KKRASAPYAPHRKR-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1cc[nH+]c(NCCCC[NH+]2CCC(C)CC2)c1 ZINC000301663038 201122422 /nfs/dbraw/zinc/12/24/22/201122422.db2.gz YODREXBXASGYEM-UHFFFAOYSA-N 2 1 261.413 3.314 20 0 CGADMP c1cc2cccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2o1 ZINC000449011552 239108894 /nfs/dbraw/zinc/10/88/94/239108894.db2.gz RAXLGGPEDSDQKC-UHFFFAOYSA-N 2 1 284.403 3.493 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449177439 239225250 /nfs/dbraw/zinc/22/52/50/239225250.db2.gz VOBZJMVNZOJAAE-YOEHRIQHSA-N 2 1 276.424 3.065 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000449177439 239225254 /nfs/dbraw/zinc/22/52/54/239225254.db2.gz VOBZJMVNZOJAAE-YOEHRIQHSA-N 2 1 276.424 3.065 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000449373830 239358403 /nfs/dbraw/zinc/35/84/03/239358403.db2.gz URZCFNHZAIHCJW-KBMXLJTQSA-N 2 1 276.399 3.412 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000120558596 370779418 /nfs/dbraw/zinc/77/94/18/370779418.db2.gz COGSYQCGEFQBHU-YCPHGPKFSA-N 2 1 276.424 3.219 20 0 CGADMP CCCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCCC[C@H]1OC ZINC000451650290 240342146 /nfs/dbraw/zinc/34/21/46/240342146.db2.gz KDXIRHIYXFZKLG-IAGOWNOFSA-N 2 1 293.455 3.251 20 0 CGADMP CCCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCCC[C@H]1OC ZINC000451650290 240342151 /nfs/dbraw/zinc/34/21/51/240342151.db2.gz KDXIRHIYXFZKLG-IAGOWNOFSA-N 2 1 293.455 3.251 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CCC[C@H]1c1ccccc1)C2 ZINC000275500562 193060350 /nfs/dbraw/zinc/06/03/50/193060350.db2.gz JOWPYOXVOOZINT-SZMVWBNQSA-N 2 1 295.430 3.371 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000275637429 193093353 /nfs/dbraw/zinc/09/33/53/193093353.db2.gz UTZVQIDEANNJSD-WMLDXEAASA-N 2 1 276.399 3.146 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453232964 240784306 /nfs/dbraw/zinc/78/43/06/240784306.db2.gz XMGOTPKVHYWLFH-JKSUJKDBSA-N 2 1 277.456 3.113 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000275687912 193104986 /nfs/dbraw/zinc/10/49/86/193104986.db2.gz HYNQKGQGXKENBF-LBPRGKRZSA-N 2 1 277.799 3.238 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccs1 ZINC000121435089 370861164 /nfs/dbraw/zinc/86/11/64/370861164.db2.gz RUHLOKOIKONLCM-VXGBXAGGSA-N 2 1 263.410 3.240 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000459780896 242230801 /nfs/dbraw/zinc/23/08/01/242230801.db2.gz LTQLWWFSTFGIQP-IWZWCOEHSA-N 2 1 294.389 3.300 20 0 CGADMP Cc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c[nH+]c12 ZINC000462481324 242347019 /nfs/dbraw/zinc/34/70/19/242347019.db2.gz RSMMCKVLHJJRSF-HUUCEWRRSA-N 2 1 283.419 3.168 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000483262430 243270301 /nfs/dbraw/zinc/27/03/01/243270301.db2.gz AEQQTHBRPKKVPH-CQSZACIVSA-N 2 1 278.415 3.392 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000123649623 370913428 /nfs/dbraw/zinc/91/34/28/370913428.db2.gz XCTBAWCIDBYLPG-AWEZNQCLSA-N 2 1 254.805 3.145 20 0 CGADMP C[N@@H+](CCCn1ccnc1)Cc1cccc(C(F)(F)F)c1 ZINC000124208793 370920912 /nfs/dbraw/zinc/92/09/12/370920912.db2.gz LJDVAWLVCHHQOI-UHFFFAOYSA-N 2 1 297.324 3.424 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000020553444 368808612 /nfs/dbraw/zinc/80/86/12/368808612.db2.gz PFLGVUUXMNIKOL-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1 ZINC000019905785 368778544 /nfs/dbraw/zinc/77/85/44/368778544.db2.gz BZNOSZPQZHRYMT-GFCCVEGCSA-N 2 1 252.377 3.064 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000019942958 368787683 /nfs/dbraw/zinc/78/76/83/368787683.db2.gz BNQDXDVRPQOLLO-CYBMUJFWSA-N 2 1 252.377 3.208 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C[C@H]1CC=CCC1)[NH+](C)C ZINC000019988117 368791907 /nfs/dbraw/zinc/79/19/07/368791907.db2.gz XVUGPJWZDNYBNO-GOEBONIOSA-N 2 1 252.446 3.299 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+](C)C ZINC000019988130 368792096 /nfs/dbraw/zinc/79/20/96/368792096.db2.gz XVUGPJWZDNYBNO-ZBFHGGJFSA-N 2 1 252.446 3.299 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000034958907 368982133 /nfs/dbraw/zinc/98/21/33/368982133.db2.gz YHHWHCDHNCEDAZ-WZYMTQMTSA-N 2 1 258.409 3.271 20 0 CGADMP C[C@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054441 368994891 /nfs/dbraw/zinc/99/48/91/368994891.db2.gz SAXPFDOZPQRUHJ-STQMWFEESA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000037740013 369103218 /nfs/dbraw/zinc/10/32/18/369103218.db2.gz CKQZBVIFBMKXRZ-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000037644388 369094539 /nfs/dbraw/zinc/09/45/39/369094539.db2.gz STHVYVSDQGZBRY-GTPINHCMSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000037649247 369098272 /nfs/dbraw/zinc/09/82/72/369098272.db2.gz AJZAJRZMFUTYER-QWHCGFSZSA-N 2 1 278.827 3.475 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037649526 369098353 /nfs/dbraw/zinc/09/83/53/369098353.db2.gz YOULCIPDELZFLV-OLZOCXBDSA-N 2 1 264.438 3.191 20 0 CGADMP Cc1cc(Cl)cc(C)c1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000495107678 244358109 /nfs/dbraw/zinc/35/81/09/244358109.db2.gz JWOUKBFDDUKPSG-PBHICJAKSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000495107678 244358112 /nfs/dbraw/zinc/35/81/12/244358112.db2.gz JWOUKBFDDUKPSG-PBHICJAKSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000495107678 244358118 /nfs/dbraw/zinc/35/81/18/244358118.db2.gz JWOUKBFDDUKPSG-PBHICJAKSA-N 2 1 292.854 3.483 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccsc2)CC1 ZINC000050339461 369436429 /nfs/dbraw/zinc/43/64/29/369436429.db2.gz NSEWHWDBQSGWPW-GFCCVEGCSA-N 2 1 252.427 3.273 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1 ZINC000051919544 369456426 /nfs/dbraw/zinc/45/64/26/369456426.db2.gz AZRZQAMREMVTRM-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000070174969 369787460 /nfs/dbraw/zinc/78/74/60/369787460.db2.gz IGKPRMCTFWLCHJ-NWDGAFQWSA-N 2 1 289.810 3.452 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000076002075 369924944 /nfs/dbraw/zinc/92/49/44/369924944.db2.gz BPHKUIMRYWGDHH-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000087409165 370027405 /nfs/dbraw/zinc/02/74/05/370027405.db2.gz NVQNLAZFZSKRDK-CQSZACIVSA-N 2 1 292.471 3.034 20 0 CGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000087409165 370027406 /nfs/dbraw/zinc/02/74/06/370027406.db2.gz NVQNLAZFZSKRDK-CQSZACIVSA-N 2 1 292.471 3.034 20 0 CGADMP CC1(C)Cc2cccc(C[N@H+]3CCCC[C@@H]3CC[NH3+])c2O1 ZINC000080510056 369990581 /nfs/dbraw/zinc/99/05/81/369990581.db2.gz FZASXYBMQPONOO-MRXNPFEDSA-N 2 1 288.435 3.103 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000090720703 370065358 /nfs/dbraw/zinc/06/53/58/370065358.db2.gz TVMCLYMLGZLLDJ-ZYHUDNBSSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000090720703 370065359 /nfs/dbraw/zinc/06/53/59/370065359.db2.gz TVMCLYMLGZLLDJ-ZYHUDNBSSA-N 2 1 270.779 3.051 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089034 370108078 /nfs/dbraw/zinc/10/80/78/370108078.db2.gz WMLUSDHTHBBVFI-DTQAZKPQSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000093513484 370139098 /nfs/dbraw/zinc/13/90/98/370139098.db2.gz UNFUORBGLBSMGW-ZWKOTPCHSA-N 3 1 295.515 3.009 20 0 CGADMP COc1c(C)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644143 370149574 /nfs/dbraw/zinc/14/95/74/370149574.db2.gz RQQIDZFNXKVMGK-NVXWUHKLSA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644143 370149578 /nfs/dbraw/zinc/14/95/78/370149578.db2.gz RQQIDZFNXKVMGK-NVXWUHKLSA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093644143 370149579 /nfs/dbraw/zinc/14/95/79/370149579.db2.gz RQQIDZFNXKVMGK-NVXWUHKLSA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093644143 370149584 /nfs/dbraw/zinc/14/95/84/370149584.db2.gz RQQIDZFNXKVMGK-NVXWUHKLSA-N 2 1 290.451 3.227 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCCc2ccc(Cl)cc21)[C@H](C)[NH3+] ZINC000423435912 296155678 /nfs/dbraw/zinc/15/56/78/296155678.db2.gz DUPVZPNNHCSEHL-FIXISWKDSA-N 2 1 266.816 3.433 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113513387 370476013 /nfs/dbraw/zinc/47/60/13/370476013.db2.gz JJVATWHOYMIZDW-CYBMUJFWSA-N 2 1 286.341 3.089 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113513387 370476015 /nfs/dbraw/zinc/47/60/15/370476015.db2.gz JJVATWHOYMIZDW-CYBMUJFWSA-N 2 1 286.341 3.089 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000113515233 370476322 /nfs/dbraw/zinc/47/63/22/370476322.db2.gz SXQVSTSBJVMJEW-HNNXBMFYSA-N 2 1 268.404 3.223 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000513683602 245089459 /nfs/dbraw/zinc/08/94/59/245089459.db2.gz LOVDLSWECUXUPE-BNEJOLLZSA-N 2 1 290.426 3.392 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000116385671 370559997 /nfs/dbraw/zinc/55/99/97/370559997.db2.gz PJALFUADHKIYDY-DLBZAZTESA-N 2 1 272.436 3.082 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129805362 371001505 /nfs/dbraw/zinc/00/15/05/371001505.db2.gz HABHHZHMNUYQQK-QLFBSQMISA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129805362 371001511 /nfs/dbraw/zinc/00/15/11/371001511.db2.gz HABHHZHMNUYQQK-QLFBSQMISA-N 2 1 276.424 3.137 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130584197 371043839 /nfs/dbraw/zinc/04/38/39/371043839.db2.gz SPBICJDPSXDMIG-XKQJLSEDSA-N 2 1 284.403 3.300 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000131864578 371134688 /nfs/dbraw/zinc/13/46/88/371134688.db2.gz UJTWDDWHBVBEFG-AFAVFJNCSA-N 2 1 252.361 3.482 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000132550759 371183045 /nfs/dbraw/zinc/18/30/45/371183045.db2.gz YBJFFHDGCPRIIO-BQFCYCMXSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000132550759 371183050 /nfs/dbraw/zinc/18/30/50/371183050.db2.gz YBJFFHDGCPRIIO-BQFCYCMXSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132550759 371183055 /nfs/dbraw/zinc/18/30/55/371183055.db2.gz YBJFFHDGCPRIIO-BQFCYCMXSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132550759 371183058 /nfs/dbraw/zinc/18/30/58/371183058.db2.gz YBJFFHDGCPRIIO-BQFCYCMXSA-N 2 1 274.452 3.280 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2C)[C@H](C)C1 ZINC000132936548 371213489 /nfs/dbraw/zinc/21/34/89/371213489.db2.gz FYXFGBOXLOYQAI-SJORKVTESA-N 2 1 290.451 3.084 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](CC)CC)[C@H]1CCOC1 ZINC000132932681 371213638 /nfs/dbraw/zinc/21/36/38/371213638.db2.gz ZCALLODOXMSOEJ-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(CCc2ccccc2F)C1 ZINC000137613308 371500171 /nfs/dbraw/zinc/50/01/71/371500171.db2.gz ZYTRLRANXIYHOT-HNNXBMFYSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000137613308 371500178 /nfs/dbraw/zinc/50/01/78/371500178.db2.gz ZYTRLRANXIYHOT-HNNXBMFYSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000137613308 371500185 /nfs/dbraw/zinc/50/01/85/371500185.db2.gz ZYTRLRANXIYHOT-HNNXBMFYSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000137613308 371500191 /nfs/dbraw/zinc/50/01/91/371500191.db2.gz ZYTRLRANXIYHOT-HNNXBMFYSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000137613308 371500197 /nfs/dbraw/zinc/50/01/97/371500197.db2.gz ZYTRLRANXIYHOT-HNNXBMFYSA-N 2 1 278.415 3.032 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150839311 371543497 /nfs/dbraw/zinc/54/34/97/371543497.db2.gz PHKHOYYMOWRPIN-INIZCTEOSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150839311 371543507 /nfs/dbraw/zinc/54/35/07/371543507.db2.gz PHKHOYYMOWRPIN-INIZCTEOSA-N 2 1 288.435 3.003 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000151138227 371573260 /nfs/dbraw/zinc/57/32/60/371573260.db2.gz VPSADLOLGMOEKZ-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000151564717 371613070 /nfs/dbraw/zinc/61/30/70/371613070.db2.gz IYARMDBUNSBNJF-IOASZLSFSA-N 2 1 296.842 3.037 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421823807 371644702 /nfs/dbraw/zinc/64/47/02/371644702.db2.gz FLTBVSUXKVJCCW-LLVKDONJSA-N 2 1 295.789 3.205 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000151873295 371646460 /nfs/dbraw/zinc/64/64/60/371646460.db2.gz ATWCRRQSGUZFCC-BZPMIXESSA-N 2 1 266.454 3.060 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000151873295 371646465 /nfs/dbraw/zinc/64/64/65/371646465.db2.gz ATWCRRQSGUZFCC-BZPMIXESSA-N 2 1 266.454 3.060 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(C2CC2)c1 ZINC000422556485 371747248 /nfs/dbraw/zinc/74/72/48/371747248.db2.gz SZVCBGFNAFGKCJ-RBUKOAKNSA-N 2 1 284.447 3.386 20 0 CGADMP COc1ccccc1/C=C/C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422564957 371753082 /nfs/dbraw/zinc/75/30/82/371753082.db2.gz XCFPXPSWENMLBB-BFOUZKJOSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422716493 371764932 /nfs/dbraw/zinc/76/49/32/371764932.db2.gz NHHKWFZVEXVZMG-XOKHGSTOSA-N 2 1 258.409 3.258 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)c1c[nH+]ccc1N ZINC000422730214 371771964 /nfs/dbraw/zinc/77/19/64/371771964.db2.gz LTUUKNHGNDMDBP-RDBSUJKOSA-N 2 1 261.413 3.361 20 0 CGADMP CC(C)(C)c1csc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000422732706 371773289 /nfs/dbraw/zinc/77/32/89/371773289.db2.gz AIGGRRFSUZXNQP-RYUDHWBXSA-N 2 1 281.469 3.048 20 0 CGADMP c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422748996 371782073 /nfs/dbraw/zinc/78/20/73/371782073.db2.gz WZEWWBKPEBGOAD-MSOLQXFVSA-N 2 1 266.388 3.270 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422757121 371787186 /nfs/dbraw/zinc/78/71/86/371787186.db2.gz JNBNVSYBTLEIFS-QAPCUYQASA-N 2 1 268.404 3.043 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422772415 371797296 /nfs/dbraw/zinc/79/72/96/371797296.db2.gz YIMVZCZFVDEBDK-UONOGXRCSA-N 2 1 286.341 3.455 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000337372438 214036553 /nfs/dbraw/zinc/03/65/53/214036553.db2.gz DHHLXLDWUATXAR-RHSMWYFYSA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000337372438 214036554 /nfs/dbraw/zinc/03/65/54/214036554.db2.gz DHHLXLDWUATXAR-RHSMWYFYSA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337372438 214036556 /nfs/dbraw/zinc/03/65/56/214036556.db2.gz DHHLXLDWUATXAR-RHSMWYFYSA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337372438 214036558 /nfs/dbraw/zinc/03/65/58/214036558.db2.gz DHHLXLDWUATXAR-RHSMWYFYSA-N 2 1 290.451 3.172 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000422780490 371803442 /nfs/dbraw/zinc/80/34/42/371803442.db2.gz KEJQSZXIBIUQJC-AWEZNQCLSA-N 2 1 269.392 3.270 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000422806058 371821269 /nfs/dbraw/zinc/82/12/69/371821269.db2.gz HRNZEYBIXVZENZ-GRYCIOLGSA-N 2 1 268.351 3.004 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+]C3CC[NH2+]CC3)c(C)c2c1 ZINC000422862828 371844945 /nfs/dbraw/zinc/84/49/45/371844945.db2.gz QLGKQHGBJKMDCQ-GFCCVEGCSA-N 2 1 288.391 3.152 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(OCCC(C)C)c1 ZINC000422863067 371845316 /nfs/dbraw/zinc/84/53/16/371845316.db2.gz LAVCRFHFQWTMRT-HNNXBMFYSA-N 2 1 290.451 3.117 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422897201 371859101 /nfs/dbraw/zinc/85/91/01/371859101.db2.gz BMCHJTAYDJZNNE-PXAZEXFGSA-N 2 1 290.357 3.013 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(C)c1 ZINC000422917920 371867999 /nfs/dbraw/zinc/86/79/99/371867999.db2.gz GDMBGWDNSHJISK-LSDHHAIUSA-N 2 1 299.418 3.311 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000422921092 371870303 /nfs/dbraw/zinc/87/03/03/371870303.db2.gz OUKGXONPMVKYES-OWCLPIDISA-N 2 1 296.842 3.277 20 0 CGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423060478 371939577 /nfs/dbraw/zinc/93/95/77/371939577.db2.gz OMUNGDWXDPEAGX-IAGOWNOFSA-N 2 1 289.467 3.281 20 0 CGADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423063990 371940731 /nfs/dbraw/zinc/94/07/31/371940731.db2.gz QHHJDYTXQAXITF-FVQBIDKESA-N 2 1 296.817 3.489 20 0 CGADMP C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000422967955 371895796 /nfs/dbraw/zinc/89/57/96/371895796.db2.gz PYAGPJLRBSKZMO-GRTSSRMGSA-N 2 1 267.376 3.091 20 0 CGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423013289 371915067 /nfs/dbraw/zinc/91/50/67/371915067.db2.gz MMRNMUYMLFAOBD-SWLSCSKDSA-N 2 1 296.842 3.011 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423036643 371926182 /nfs/dbraw/zinc/92/61/82/371926182.db2.gz AURDVKKKKUKVLR-NEPJUHHUSA-N 2 1 288.439 3.409 20 0 CGADMP Cn1c2ccc(N[C@@H]3CCC[C@@H]3[NH3+])cc2[nH+]c1C(C)(C)C ZINC000423037124 371928379 /nfs/dbraw/zinc/92/83/79/371928379.db2.gz BCHHWYQQZYJAJA-QWHCGFSZSA-N 2 1 286.423 3.163 20 0 CGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000290310196 371959750 /nfs/dbraw/zinc/95/97/50/371959750.db2.gz CCQVPBOWQHZWOF-HNNXBMFYSA-N 2 1 295.390 3.011 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423094520 371960994 /nfs/dbraw/zinc/96/09/94/371960994.db2.gz KGXRBRXTLNGRIN-UIBBOPPKSA-N 2 1 278.827 3.316 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423171798 372001903 /nfs/dbraw/zinc/00/19/03/372001903.db2.gz QAVXHDDQVQMHCR-CVEARBPZSA-N 2 1 275.440 3.129 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCCC[NH2+]1 ZINC000423129098 371981344 /nfs/dbraw/zinc/98/13/44/371981344.db2.gz WTNZCQHDBAOFAM-NRSFXHEJSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000423132039 371982629 /nfs/dbraw/zinc/98/26/29/371982629.db2.gz ISYBCFIDNIDKOF-LHUBUQBQSA-N 2 1 274.452 3.359 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454541 371991860 /nfs/dbraw/zinc/99/18/60/371991860.db2.gz MMNCFCUARGXXJF-NVXWUHKLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454541 371991866 /nfs/dbraw/zinc/99/18/66/371991866.db2.gz MMNCFCUARGXXJF-NVXWUHKLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454541 371991872 /nfs/dbraw/zinc/99/18/72/371991872.db2.gz MMNCFCUARGXXJF-NVXWUHKLSA-N 2 1 283.419 3.084 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423195526 372019308 /nfs/dbraw/zinc/01/93/08/372019308.db2.gz ZIRCCJNUUZBKJK-ZDUSSCGKSA-N 2 1 270.779 3.272 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000423197868 372020482 /nfs/dbraw/zinc/02/04/82/372020482.db2.gz BPTXKLBGVJJPDP-JTQLQIEISA-N 2 1 269.458 3.009 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000423197869 372020881 /nfs/dbraw/zinc/02/08/81/372020881.db2.gz BPTXKLBGVJJPDP-SNVBAGLBSA-N 2 1 269.458 3.009 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423199349 372023932 /nfs/dbraw/zinc/02/39/32/372023932.db2.gz JWCUPODPGQUMAI-AWEZNQCLSA-N 2 1 261.413 3.092 20 0 CGADMP C[NH2+]CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423206475 372030660 /nfs/dbraw/zinc/03/06/60/372030660.db2.gz XBEJWFSSKFKUHZ-LBPRGKRZSA-N 2 1 270.829 3.076 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290656470 372036283 /nfs/dbraw/zinc/03/62/83/372036283.db2.gz ZKMQYUXIBIZGFO-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290656470 372036292 /nfs/dbraw/zinc/03/62/92/372036292.db2.gz ZKMQYUXIBIZGFO-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290656470 372036298 /nfs/dbraw/zinc/03/62/98/372036298.db2.gz ZKMQYUXIBIZGFO-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290656470 372036305 /nfs/dbraw/zinc/03/63/05/372036305.db2.gz ZKMQYUXIBIZGFO-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290656470 372036312 /nfs/dbraw/zinc/03/63/12/372036312.db2.gz ZKMQYUXIBIZGFO-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423235370 372042468 /nfs/dbraw/zinc/04/24/68/372042468.db2.gz APIMOEUQEWJYTE-ZIAGYGMSSA-N 2 1 286.341 3.151 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000157948135 372044104 /nfs/dbraw/zinc/04/41/04/372044104.db2.gz ROSVQULSRDQBNJ-JKSUJKDBSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@@H]2CCC[C@@H]21 ZINC000423337322 372053628 /nfs/dbraw/zinc/05/36/28/372053628.db2.gz AOGNTCYIBABLLI-RDGPPVDQSA-N 2 1 299.462 3.109 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3cc(F)ccc32)CCCCC1 ZINC000423174639 372003983 /nfs/dbraw/zinc/00/39/83/372003983.db2.gz BNQAKAFACGDWNZ-HNNXBMFYSA-N 2 1 262.372 3.064 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290515014 372007722 /nfs/dbraw/zinc/00/77/22/372007722.db2.gz PUNIKRUQUDUBQB-JOHXTKAHSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290515014 372007728 /nfs/dbraw/zinc/00/77/28/372007728.db2.gz PUNIKRUQUDUBQB-JOHXTKAHSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290515014 372007733 /nfs/dbraw/zinc/00/77/33/372007733.db2.gz PUNIKRUQUDUBQB-JOHXTKAHSA-N 2 1 288.410 3.255 20 0 CGADMP c1ccc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)cc1 ZINC000423186314 372013206 /nfs/dbraw/zinc/01/32/06/372013206.db2.gz KYSDNZYURHEEBH-IBGZPJMESA-N 2 1 295.430 3.302 20 0 CGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3([NH+](C)C)CCCCC3)C[C@H]2C1 ZINC000424253407 372080538 /nfs/dbraw/zinc/08/05/38/372080538.db2.gz FKGRPAAULBUDRP-GANOOXTDSA-N 2 1 294.483 3.044 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000424298345 372081968 /nfs/dbraw/zinc/08/19/68/372081968.db2.gz ULXXYORGDRFYLS-BZUAXINKSA-N 2 1 262.372 3.063 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)CC[N@H+]1C ZINC000160365156 372241428 /nfs/dbraw/zinc/24/14/28/372241428.db2.gz HPTXCVDUBLVSOC-GHMZBOCLSA-N 2 1 272.845 3.016 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000344252223 217119350 /nfs/dbraw/zinc/11/93/50/217119350.db2.gz BASQPKBRPDNUGO-HNAYVOBHSA-N 2 1 295.430 3.178 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292879021 372236147 /nfs/dbraw/zinc/23/61/47/372236147.db2.gz XISVGPXHIYQHDD-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292879021 372236153 /nfs/dbraw/zinc/23/61/53/372236153.db2.gz XISVGPXHIYQHDD-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292879021 372236161 /nfs/dbraw/zinc/23/61/61/372236161.db2.gz XISVGPXHIYQHDD-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292879021 372236167 /nfs/dbraw/zinc/23/61/67/372236167.db2.gz XISVGPXHIYQHDD-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000161595243 372340658 /nfs/dbraw/zinc/34/06/58/372340658.db2.gz SULPQEPRXXDGAS-UHFFFAOYSA-N 2 1 271.408 3.193 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1[NH3+] ZINC000430921343 372405098 /nfs/dbraw/zinc/40/50/98/372405098.db2.gz XTYBHZBHYSTQQD-RHSMWYFYSA-N 2 1 297.402 3.043 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1[NH3+] ZINC000430921343 372405102 /nfs/dbraw/zinc/40/51/02/372405102.db2.gz XTYBHZBHYSTQQD-RHSMWYFYSA-N 2 1 297.402 3.043 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1F ZINC000163470916 372473297 /nfs/dbraw/zinc/47/32/97/372473297.db2.gz MKUPTPMFWXPOSK-XJKSGUPXSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000162804428 372423500 /nfs/dbraw/zinc/42/35/00/372423500.db2.gz FXLUMGCYEWCWED-BZZMCLGOSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000162804428 372423505 /nfs/dbraw/zinc/42/35/05/372423505.db2.gz FXLUMGCYEWCWED-BZZMCLGOSA-N 2 1 272.436 3.395 20 0 CGADMP CCCC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162857115 372428913 /nfs/dbraw/zinc/42/89/13/372428913.db2.gz SMOHHQODRKQEIR-HRCADAONSA-N 2 1 270.461 3.044 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000163194739 372452978 /nfs/dbraw/zinc/45/29/78/372452978.db2.gz ZPYWBCFGIIIWJR-DZGCQCFKSA-N 2 1 260.425 3.153 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000163604248 372482744 /nfs/dbraw/zinc/48/27/44/372482744.db2.gz SSXCQMKPBNBIBT-MLHJIOFPSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2)CC[N@H+]1C ZINC000164772352 372532396 /nfs/dbraw/zinc/53/23/96/372532396.db2.gz GSPDYZKGNKTGAE-BBRMVZONSA-N 2 1 278.415 3.176 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000167107718 372590892 /nfs/dbraw/zinc/59/08/92/372590892.db2.gz YIFWDZLWPLEGIL-BLLLJJGKSA-N 2 1 296.455 3.261 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000167107718 372590895 /nfs/dbraw/zinc/59/08/95/372590895.db2.gz YIFWDZLWPLEGIL-BLLLJJGKSA-N 2 1 296.455 3.261 20 0 CGADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165301462 372547476 /nfs/dbraw/zinc/54/74/76/372547476.db2.gz LFYKHEVFJAQYGR-WMZOPIPTSA-N 2 1 274.452 3.185 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000165300673 372547545 /nfs/dbraw/zinc/54/75/45/372547545.db2.gz GCMRXFZPGASMBV-KRWDZBQOSA-N 2 1 298.474 3.329 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000168619603 372615371 /nfs/dbraw/zinc/61/53/71/372615371.db2.gz BAFVVSQPNLXROQ-NEPJUHHUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000169040974 372626030 /nfs/dbraw/zinc/62/60/30/372626030.db2.gz SFVOGFLYWSTHQO-KBRIMQKVSA-N 2 1 292.854 3.487 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccnc2)CC1 ZINC000171145184 372721376 /nfs/dbraw/zinc/72/13/76/372721376.db2.gz JRYRUTIVXXQKGC-UHFFFAOYSA-N 2 1 275.440 3.026 20 0 CGADMP CC[N@@H+](C/C=C\c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435392209 372758462 /nfs/dbraw/zinc/75/84/62/372758462.db2.gz VQYGIZWMCLCWBI-AWFCHZOYSA-N 2 1 294.389 3.442 20 0 CGADMP C[N@H+](Cc1cnc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435435203 372764286 /nfs/dbraw/zinc/76/42/86/372764286.db2.gz AQSLRHLRSJRAGT-GFCCVEGCSA-N 2 1 281.469 3.015 20 0 CGADMP C[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435435203 372764290 /nfs/dbraw/zinc/76/42/90/372764290.db2.gz AQSLRHLRSJRAGT-GFCCVEGCSA-N 2 1 281.469 3.015 20 0 CGADMP CCCCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435619984 372787816 /nfs/dbraw/zinc/78/78/16/372787816.db2.gz YFJAOWUBXNDELL-KRWDZBQOSA-N 2 1 275.440 3.216 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(c2cccnc2)C1 ZINC000295681561 372875616 /nfs/dbraw/zinc/87/56/16/372875616.db2.gz CINASXZXLLWSGH-GOSISDBHSA-N 2 1 285.435 3.045 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(c2cccnc2)C1 ZINC000295681561 372875620 /nfs/dbraw/zinc/87/56/20/372875620.db2.gz CINASXZXLLWSGH-GOSISDBHSA-N 2 1 285.435 3.045 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295681561 372875632 /nfs/dbraw/zinc/87/56/32/372875632.db2.gz CINASXZXLLWSGH-GOSISDBHSA-N 2 1 285.435 3.045 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000295681561 372875639 /nfs/dbraw/zinc/87/56/39/372875639.db2.gz CINASXZXLLWSGH-GOSISDBHSA-N 2 1 285.435 3.045 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC000437777534 372858340 /nfs/dbraw/zinc/85/83/40/372858340.db2.gz RTDHRJHXBUBICG-OAHLLOKOSA-N 2 1 254.462 3.380 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(C)c1F ZINC000295703207 372880812 /nfs/dbraw/zinc/88/08/12/372880812.db2.gz MLUBVJZWCWIAJH-UHFFFAOYSA-N 2 1 275.371 3.209 20 0 CGADMP CCc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000172247847 372930768 /nfs/dbraw/zinc/93/07/68/372930768.db2.gz PTAPUEJMGWXBHY-UHFFFAOYSA-N 2 1 297.446 3.437 20 0 CGADMP C[N@H+](CC[NH2+]C1CCC(C(F)F)CC1)C1CCCC1 ZINC000442780856 373078265 /nfs/dbraw/zinc/07/82/65/373078265.db2.gz HFEHTNIWMLUNNA-UHFFFAOYSA-N 2 1 274.399 3.274 20 0 CGADMP C[N@@H+](CC[NH2+]C1CCC(C(F)F)CC1)C1CCCC1 ZINC000442780856 373078273 /nfs/dbraw/zinc/07/82/73/373078273.db2.gz HFEHTNIWMLUNNA-UHFFFAOYSA-N 2 1 274.399 3.274 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000442918344 373126925 /nfs/dbraw/zinc/12/69/25/373126925.db2.gz GRRKAAVPNNEGIX-MRXNPFEDSA-N 2 1 295.430 3.309 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000173386433 373132674 /nfs/dbraw/zinc/13/26/74/373132674.db2.gz KILXWVKYBUJFGW-UONOGXRCSA-N 2 1 257.381 3.178 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000443055257 373145993 /nfs/dbraw/zinc/14/59/93/373145993.db2.gz BABBVPJYWRSYNX-ZDUSSCGKSA-N 2 1 298.883 3.493 20 0 CGADMP C[C@@H]1C[C@H](C)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444608134 373212005 /nfs/dbraw/zinc/21/20/05/373212005.db2.gz KODYQERXXFISFC-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)(C)OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444621174 373214981 /nfs/dbraw/zinc/21/49/81/373214981.db2.gz RDWHQHQTPWPNED-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2ccccc2)C1 ZINC000173886711 373209476 /nfs/dbraw/zinc/20/94/76/373209476.db2.gz HJDUAXUXAZNJBT-HZPDHXFCSA-N 2 1 260.425 3.064 20 0 CGADMP Cc1cc(C)cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298526022 373348771 /nfs/dbraw/zinc/34/87/71/373348771.db2.gz RUYGFWJZYNPNMV-UHFFFAOYSA-N 2 1 272.436 3.062 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC2CCCCC2)CC1 ZINC000447060338 373396270 /nfs/dbraw/zinc/39/62/70/373396270.db2.gz PIZVIKYRIHWMFT-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000447819435 373497734 /nfs/dbraw/zinc/49/77/34/373497734.db2.gz AEFFNZDXDHTRBV-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CC3(CCC3)C1)C2 ZINC000448068259 373545754 /nfs/dbraw/zinc/54/57/54/373545754.db2.gz VBGJYJJEHVHXER-UHFFFAOYSA-N 2 1 284.447 3.357 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CC3(CCC3)C1)C2 ZINC000448068259 373545762 /nfs/dbraw/zinc/54/57/62/373545762.db2.gz VBGJYJJEHVHXER-UHFFFAOYSA-N 2 1 284.447 3.357 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300239258 373621666 /nfs/dbraw/zinc/62/16/66/373621666.db2.gz QKBUUOIATWZZPT-QZWWFDLISA-N 2 1 264.457 3.418 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000300408726 373626977 /nfs/dbraw/zinc/62/69/77/373626977.db2.gz LOWVIFOPGNAFSG-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)nc2)C[C@H]1C ZINC000353657757 220229756 /nfs/dbraw/zinc/22/97/56/220229756.db2.gz HICDXNPFMJNYBP-AEFFLSMTSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc(C)nc2)C[C@H]1C ZINC000353657757 220229760 /nfs/dbraw/zinc/22/97/60/220229760.db2.gz HICDXNPFMJNYBP-AEFFLSMTSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc(C)nc2)C[C@H]1C ZINC000353657757 220229767 /nfs/dbraw/zinc/22/97/67/220229767.db2.gz HICDXNPFMJNYBP-AEFFLSMTSA-N 2 1 289.467 3.127 20 0 CGADMP COCC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000449085600 373661305 /nfs/dbraw/zinc/66/13/05/373661305.db2.gz OOVTUAUIJJQAKJ-FCCDEINASA-N 2 1 296.499 3.292 20 0 CGADMP C[N@@H+](CCc1cccc2ccccc21)CC1CC[NH2+]CC1 ZINC000178968569 373821233 /nfs/dbraw/zinc/82/12/33/373821233.db2.gz XGYIOMPJZINXGW-UHFFFAOYSA-N 2 1 282.431 3.314 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000070344089 541893395 /nfs/dbraw/zinc/89/33/95/541893395.db2.gz JLVDJVLHRKXRQI-KRWDZBQOSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178642146 373801562 /nfs/dbraw/zinc/80/15/62/373801562.db2.gz ILFZCCIHJRSJBV-BHIYHBOVSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178642146 373801566 /nfs/dbraw/zinc/80/15/66/373801566.db2.gz ILFZCCIHJRSJBV-BHIYHBOVSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178642146 373801571 /nfs/dbraw/zinc/80/15/71/373801571.db2.gz ILFZCCIHJRSJBV-BHIYHBOVSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000179519150 373883949 /nfs/dbraw/zinc/88/39/49/373883949.db2.gz OEWJPEOJHFAUMD-KGLIPLIRSA-N 2 1 292.854 3.444 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179582948 373891316 /nfs/dbraw/zinc/89/13/16/373891316.db2.gz IGUCUXXMBCEBHI-OAHLLOKOSA-N 2 1 264.388 3.135 20 0 CGADMP Cc1nccn1CCCC[N@H+](CC(C)C)C(C)C ZINC000179307977 373856519 /nfs/dbraw/zinc/85/65/19/373856519.db2.gz PLSZHNLLLZLTHL-UHFFFAOYSA-N 2 1 251.418 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(C)C)C(C)C ZINC000179307977 373856523 /nfs/dbraw/zinc/85/65/23/373856523.db2.gz PLSZHNLLLZLTHL-UHFFFAOYSA-N 2 1 251.418 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](CC(C)C)C(C)C ZINC000179307977 373856528 /nfs/dbraw/zinc/85/65/28/373856528.db2.gz PLSZHNLLLZLTHL-UHFFFAOYSA-N 2 1 251.418 3.338 20 0 CGADMP Cc1cc(NCC[N@H+](C)Cc2ccc(F)cc2)cc[nH+]1 ZINC000302364710 373857571 /nfs/dbraw/zinc/85/75/71/373857571.db2.gz AWGWHDWNFVOXDU-UHFFFAOYSA-N 2 1 273.355 3.073 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000179448943 373875126 /nfs/dbraw/zinc/87/51/26/373875126.db2.gz SQMYGQXIPSQDMI-WFASDCNBSA-N 2 1 266.816 3.475 20 0 CGADMP CCC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450322886 374056368 /nfs/dbraw/zinc/05/63/68/374056368.db2.gz CJNJFSRJJQVABM-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CCC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450322886 374056373 /nfs/dbraw/zinc/05/63/73/374056373.db2.gz CJNJFSRJJQVABM-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450339452 374067776 /nfs/dbraw/zinc/06/77/76/374067776.db2.gz QUMZLGNFWJIXHS-CYBMUJFWSA-N 2 1 274.399 3.226 20 0 CGADMP CCC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000450347313 374072152 /nfs/dbraw/zinc/07/21/52/374072152.db2.gz HOCHRDONGZENII-KRWDZBQOSA-N 2 1 294.483 3.334 20 0 CGADMP CCC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000450347313 374072161 /nfs/dbraw/zinc/07/21/61/374072161.db2.gz HOCHRDONGZENII-KRWDZBQOSA-N 2 1 294.483 3.334 20 0 CGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]CC3CC3)C2)cc1 ZINC000310001082 374206289 /nfs/dbraw/zinc/20/62/89/374206289.db2.gz FBMZLFZYHSCXJM-GOSISDBHSA-N 2 1 272.436 3.288 20 0 CGADMP COc1cccc(CCC[NH2+]C(C)(C)C[NH+]2CCCC2)c1 ZINC000452099319 374232717 /nfs/dbraw/zinc/23/27/17/374232717.db2.gz WNCRHNFSNJAONP-UHFFFAOYSA-N 2 1 290.451 3.092 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000311897578 374260408 /nfs/dbraw/zinc/26/04/08/374260408.db2.gz ZRBFJAOSSHSTIL-SNVBAGLBSA-N 2 1 281.762 3.335 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000312015706 374266285 /nfs/dbraw/zinc/26/62/85/374266285.db2.gz VEHNCGJWLJZSOT-GJZGRUSLSA-N 2 1 263.429 3.386 20 0 CGADMP CN(CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000317010248 374336789 /nfs/dbraw/zinc/33/67/89/374336789.db2.gz BABRPGMYCPOMTL-MOPGFXCFSA-N 2 1 295.430 3.247 20 0 CGADMP CN(CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000317010253 374338049 /nfs/dbraw/zinc/33/80/49/374338049.db2.gz BABRPGMYCPOMTL-RBUKOAKNSA-N 2 1 295.430 3.247 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc12 ZINC000317465415 374340026 /nfs/dbraw/zinc/34/00/26/374340026.db2.gz WJUFNXPLCZYGTB-HOCLYGCPSA-N 2 1 298.430 3.421 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000086279058 541938769 /nfs/dbraw/zinc/93/87/69/541938769.db2.gz YCIPSXBBHJTASS-AWEZNQCLSA-N 2 1 292.386 3.427 20 0 CGADMP CC/C=C/CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000184567714 374540370 /nfs/dbraw/zinc/54/03/70/374540370.db2.gz SSXXTJOIZBPBGS-CWDCEQMOSA-N 2 1 250.430 3.293 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC(C)C)CC2)[C@H](C)C1 ZINC000090771479 541964065 /nfs/dbraw/zinc/96/40/65/541964065.db2.gz BBZPAMSEHYFUCN-RDHHWEPZSA-N 2 1 282.472 3.043 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)c1 ZINC000185471395 374669964 /nfs/dbraw/zinc/66/99/64/374669964.db2.gz HYMKHVQADCWJRB-OAHLLOKOSA-N 2 1 278.465 3.230 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC000464793903 374901830 /nfs/dbraw/zinc/90/18/30/374901830.db2.gz UXECNCFWTHPVPM-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000464793903 374901839 /nfs/dbraw/zinc/90/18/39/374901839.db2.gz UXECNCFWTHPVPM-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000464793903 374901851 /nfs/dbraw/zinc/90/18/51/374901851.db2.gz UXECNCFWTHPVPM-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c1 ZINC000334564178 374863448 /nfs/dbraw/zinc/86/34/48/374863448.db2.gz UOCCMINRBZWTLV-GOSISDBHSA-N 2 1 297.446 3.459 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c1 ZINC000334564178 374863453 /nfs/dbraw/zinc/86/34/53/374863453.db2.gz UOCCMINRBZWTLV-GOSISDBHSA-N 2 1 297.446 3.459 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528256 541988187 /nfs/dbraw/zinc/98/81/87/541988187.db2.gz QADILYZGGUULHW-HIFRSBDPSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466356652 374964943 /nfs/dbraw/zinc/96/49/43/374964943.db2.gz QIYGDIVNIKGJFE-GFJIZPEISA-N 2 1 292.389 3.285 20 0 CGADMP CCc1cccc(F)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000474266813 375093831 /nfs/dbraw/zinc/09/38/31/375093831.db2.gz BVSNSPSLNGNWSC-UHFFFAOYSA-N 2 1 278.415 3.162 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000474275080 375093956 /nfs/dbraw/zinc/09/39/56/375093956.db2.gz OFMMBWNELXRXDQ-SJLPKXTDSA-N 2 1 274.452 3.310 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000187883676 375111447 /nfs/dbraw/zinc/11/14/47/375111447.db2.gz QTFPHGHVVVUEEU-BVGQSLNGSA-N 2 1 299.418 3.135 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C2CC2)[NH+](C)C)cc1 ZINC000474619675 375121018 /nfs/dbraw/zinc/12/10/18/375121018.db2.gz UYGBQERXORCOSC-QWQRMKEZSA-N 2 1 290.451 3.117 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000474629747 375123106 /nfs/dbraw/zinc/12/31/06/375123106.db2.gz DIVUCDCLWASDBZ-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000474629747 375123110 /nfs/dbraw/zinc/12/31/10/375123110.db2.gz DIVUCDCLWASDBZ-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1Cl ZINC000488723263 375312723 /nfs/dbraw/zinc/31/27/23/375312723.db2.gz QMSJLUMGSCOXQB-SLEUVZQESA-N 2 1 293.842 3.210 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000189030909 375313253 /nfs/dbraw/zinc/31/32/53/375313253.db2.gz AQTSDXZQBNMZFY-INIZCTEOSA-N 2 1 272.436 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC000189067979 375318463 /nfs/dbraw/zinc/31/84/63/375318463.db2.gz RMSJSBAOICTZDJ-MRXNPFEDSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2CC)C1 ZINC000189067979 375318470 /nfs/dbraw/zinc/31/84/70/375318470.db2.gz RMSJSBAOICTZDJ-MRXNPFEDSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2CC)C1 ZINC000189067979 375318476 /nfs/dbraw/zinc/31/84/76/375318476.db2.gz RMSJSBAOICTZDJ-MRXNPFEDSA-N 2 1 274.452 3.413 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC12CCCC2 ZINC000189135195 375330324 /nfs/dbraw/zinc/33/03/24/375330324.db2.gz MHGHMDBYDFBTJK-HNNXBMFYSA-N 2 1 261.413 3.284 20 0 CGADMP CC(C)OC1CC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000189519524 375402170 /nfs/dbraw/zinc/40/21/70/375402170.db2.gz OOPBQUMBVOZVNR-KLAILNCOSA-N 2 1 282.472 3.187 20 0 CGADMP Cc1csc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000335799899 375440304 /nfs/dbraw/zinc/44/03/04/375440304.db2.gz KXRHOSYTSKPRBC-GJZGRUSLSA-N 2 1 258.390 3.291 20 0 CGADMP FC(F)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000335851954 375483526 /nfs/dbraw/zinc/48/35/26/375483526.db2.gz COOSGFCBFPQEDY-PQAZSJQKSA-N 2 1 272.383 3.027 20 0 CGADMP FC(F)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000335851954 375483534 /nfs/dbraw/zinc/48/35/34/375483534.db2.gz COOSGFCBFPQEDY-PQAZSJQKSA-N 2 1 272.383 3.027 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(F)c2F)CC1 ZINC000335944325 375559168 /nfs/dbraw/zinc/55/91/68/375559168.db2.gz GCKPQDVOKAFKLN-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(F)c2F)CC1 ZINC000335944325 375559173 /nfs/dbraw/zinc/55/91/73/375559173.db2.gz GCKPQDVOKAFKLN-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)cc1 ZINC000191060751 375569961 /nfs/dbraw/zinc/56/99/61/375569961.db2.gz AOBYTWYBLPGSLH-PMUMKWKESA-N 2 1 299.418 3.399 20 0 CGADMP CCCc1csc(C[NH2+]CCCCn2cc[nH+]c2C)n1 ZINC000494038940 535449592 /nfs/dbraw/zinc/44/95/92/535449592.db2.gz QSQXUPZMRRBPHM-UHFFFAOYSA-N 2 1 292.452 3.171 20 0 CGADMP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000192672555 375777301 /nfs/dbraw/zinc/77/73/01/375777301.db2.gz YJEJPCLIECXFSC-YHWZYXNKSA-N 2 1 264.438 3.025 20 0 CGADMP Cc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192917708 375801889 /nfs/dbraw/zinc/80/18/89/375801889.db2.gz ZMIMMXRBGJTXPZ-KRWDZBQOSA-N 2 1 284.403 3.200 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192917708 375801892 /nfs/dbraw/zinc/80/18/92/375801892.db2.gz ZMIMMXRBGJTXPZ-KRWDZBQOSA-N 2 1 284.403 3.200 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192917708 375801895 /nfs/dbraw/zinc/80/18/95/375801895.db2.gz ZMIMMXRBGJTXPZ-KRWDZBQOSA-N 2 1 284.403 3.200 20 0 CGADMP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000520564844 375864115 /nfs/dbraw/zinc/86/41/15/375864115.db2.gz DDVCHNGNQWSTBL-ZWKOTPCHSA-N 2 1 290.451 3.361 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336616975 375879374 /nfs/dbraw/zinc/87/93/74/375879374.db2.gz HJQGBNBJHHBRGV-JYVUQVBGSA-N 2 1 250.430 3.028 20 0 CGADMP CSC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000193653369 375902641 /nfs/dbraw/zinc/90/26/41/375902641.db2.gz JJFZJSACBDTNBE-UHFFFAOYSA-N 2 1 290.476 3.136 20 0 CGADMP C[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)C[NH+](C)C ZINC000336816694 375970233 /nfs/dbraw/zinc/97/02/33/375970233.db2.gz NAFMCDMHZZUTEZ-LLVKDONJSA-N 2 1 277.799 3.498 20 0 CGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000534854287 376001432 /nfs/dbraw/zinc/00/14/32/376001432.db2.gz FTZIMQBLZNOIFH-UHFFFAOYSA-N 2 1 291.439 3.104 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000534854287 376001444 /nfs/dbraw/zinc/00/14/44/376001444.db2.gz FTZIMQBLZNOIFH-UHFFFAOYSA-N 2 1 291.439 3.104 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000534956089 376009263 /nfs/dbraw/zinc/00/92/63/376009263.db2.gz RFFFDLYYBUYODS-UAGQMJEPSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000534956089 376009268 /nfs/dbraw/zinc/00/92/68/376009268.db2.gz RFFFDLYYBUYODS-UAGQMJEPSA-N 2 1 275.440 3.482 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000535468156 376038905 /nfs/dbraw/zinc/03/89/05/376038905.db2.gz HTYNGEXWEJWRDY-ROUUACIJSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000535468156 376038913 /nfs/dbraw/zinc/03/89/13/376038913.db2.gz HTYNGEXWEJWRDY-ROUUACIJSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000535468156 376038920 /nfs/dbraw/zinc/03/89/20/376038920.db2.gz HTYNGEXWEJWRDY-ROUUACIJSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H](C)C1CCCCC1 ZINC000537306167 376162145 /nfs/dbraw/zinc/16/21/45/376162145.db2.gz CKFBNGRZLOMHHM-LSDHHAIUSA-N 2 1 264.457 3.443 20 0 CGADMP COc1ccc(C)cc1[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000221916481 376223787 /nfs/dbraw/zinc/22/37/87/376223787.db2.gz QGXYUJPFOXRGGG-HNNXBMFYSA-N 2 1 278.440 3.385 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221916481 376223790 /nfs/dbraw/zinc/22/37/90/376223790.db2.gz QGXYUJPFOXRGGG-HNNXBMFYSA-N 2 1 278.440 3.385 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221916481 376223792 /nfs/dbraw/zinc/22/37/92/376223792.db2.gz QGXYUJPFOXRGGG-HNNXBMFYSA-N 2 1 278.440 3.385 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000226330950 376353459 /nfs/dbraw/zinc/35/34/59/376353459.db2.gz KCSANHQQJADRSI-SGMGOOAPSA-N 2 1 266.816 3.460 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(CC)(CC)CC)C1 ZINC000541089250 376421320 /nfs/dbraw/zinc/42/13/20/376421320.db2.gz GZMUYIXYNIHQGY-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC(CC)(CC)CC)C1 ZINC000541089250 376421324 /nfs/dbraw/zinc/42/13/24/376421324.db2.gz GZMUYIXYNIHQGY-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(CC)(CC)CC)C1 ZINC000541089250 376421327 /nfs/dbraw/zinc/42/13/27/376421327.db2.gz GZMUYIXYNIHQGY-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CC[N@@H+](Cc1ccccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000226436035 376359643 /nfs/dbraw/zinc/35/96/43/376359643.db2.gz CBYBCXRSUATGTE-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP CC[N@H+](Cc1ccccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000226436035 376359645 /nfs/dbraw/zinc/35/96/45/376359645.db2.gz CBYBCXRSUATGTE-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000226931272 376377244 /nfs/dbraw/zinc/37/72/44/376377244.db2.gz XAYPCJGPECWLAW-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000226931272 376377251 /nfs/dbraw/zinc/37/72/51/376377251.db2.gz XAYPCJGPECWLAW-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000227019935 376379528 /nfs/dbraw/zinc/37/95/28/376379528.db2.gz VJOCMFBHIPHOBC-JKJDWNRSSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000227019935 376379531 /nfs/dbraw/zinc/37/95/31/376379531.db2.gz VJOCMFBHIPHOBC-JKJDWNRSSA-N 2 1 250.430 3.028 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCC)C2)C1(C)C ZINC000540597302 376384534 /nfs/dbraw/zinc/38/45/34/376384534.db2.gz LDLPINMBNDAJAR-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000540606683 376386350 /nfs/dbraw/zinc/38/63/50/376386350.db2.gz PYRDSQAWISCMOJ-INIZCTEOSA-N 2 1 276.811 3.179 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000540645296 376387288 /nfs/dbraw/zinc/38/72/88/376387288.db2.gz LVXGHYSTOCEDIP-HNNXBMFYSA-N 2 1 250.430 3.054 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC000230047893 376482357 /nfs/dbraw/zinc/48/23/57/376482357.db2.gz UPSJGZMBIGHJMK-VZJVUDMVSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC000230047893 376482364 /nfs/dbraw/zinc/48/23/64/376482364.db2.gz UPSJGZMBIGHJMK-VZJVUDMVSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]21 ZINC000230046666 376482518 /nfs/dbraw/zinc/48/25/18/376482518.db2.gz BGEFCLNUDYYPEG-HRCADAONSA-N 2 1 250.430 3.016 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000228382895 376436742 /nfs/dbraw/zinc/43/67/42/376436742.db2.gz JOCMZSWHQWGUDH-CABCVRRESA-N 2 1 280.362 3.341 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000228382895 376436746 /nfs/dbraw/zinc/43/67/46/376436746.db2.gz JOCMZSWHQWGUDH-CABCVRRESA-N 2 1 280.362 3.341 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229060338 376457734 /nfs/dbraw/zinc/45/77/34/376457734.db2.gz PABSBTAJUOBGBH-UPJWGTAASA-N 2 1 266.816 3.318 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000542269003 376528919 /nfs/dbraw/zinc/52/89/19/376528919.db2.gz CVRXZJUICIDVFV-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000542269003 376528923 /nfs/dbraw/zinc/52/89/23/376528923.db2.gz CVRXZJUICIDVFV-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000542464204 376542515 /nfs/dbraw/zinc/54/25/15/376542515.db2.gz BPDFJELVUNLCJV-NCOADZHNSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000542464204 376542524 /nfs/dbraw/zinc/54/25/24/376542524.db2.gz BPDFJELVUNLCJV-NCOADZHNSA-N 2 1 266.473 3.475 20 0 CGADMP Cc1ccc(C)c(OCCC[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000234290263 376615409 /nfs/dbraw/zinc/61/54/09/376615409.db2.gz KKNFHZVORPFZOM-KRWDZBQOSA-N 2 1 290.451 3.146 20 0 CGADMP CC1CCC(CN2CCC3(CCC[N@H+]3C)CC2)CC1 ZINC000544397517 376729938 /nfs/dbraw/zinc/72/99/38/376729938.db2.gz KDRFCHHVWYNEDR-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC1CCC(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000544397517 376729945 /nfs/dbraw/zinc/72/99/45/376729945.db2.gz KDRFCHHVWYNEDR-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC1CCC(C[NH+]2CCC3(CCC[N@H+]3C)CC2)CC1 ZINC000544397517 376729957 /nfs/dbraw/zinc/72/99/57/376729957.db2.gz KDRFCHHVWYNEDR-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000543843065 376682874 /nfs/dbraw/zinc/68/28/74/376682874.db2.gz NDXQZVNNOWZYCD-JTDSTZFVSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCc3ccccc3C2)CC[N@H+]1C ZINC000543843065 376682880 /nfs/dbraw/zinc/68/28/80/376682880.db2.gz NDXQZVNNOWZYCD-JTDSTZFVSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCc3ccccc3C2)CC[NH+]1C ZINC000543843065 376682886 /nfs/dbraw/zinc/68/28/86/376682886.db2.gz NDXQZVNNOWZYCD-JTDSTZFVSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCc3ccccc3C2)CC[NH+]1C ZINC000543843065 376682891 /nfs/dbraw/zinc/68/28/91/376682891.db2.gz NDXQZVNNOWZYCD-JTDSTZFVSA-N 2 1 286.463 3.206 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(COCC)cc2)CC1 ZINC000151606292 542103168 /nfs/dbraw/zinc/10/31/68/542103168.db2.gz KOLQHHJLOIQTLD-UHFFFAOYSA-N 2 1 290.451 3.187 20 0 CGADMP C[NH+](C)CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000151957292 542104393 /nfs/dbraw/zinc/10/43/93/542104393.db2.gz CEWWGERSKMPWTQ-ZDUSSCGKSA-N 2 1 284.856 3.418 20 0 CGADMP c1cc2cc[nH+]cc2c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000156156768 542127055 /nfs/dbraw/zinc/12/70/55/542127055.db2.gz FMKLRNMBQWBVMD-LSDHHAIUSA-N 2 1 267.376 3.274 20 0 CGADMP c1cc2cc[nH+]cc2c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000156156768 542127059 /nfs/dbraw/zinc/12/70/59/542127059.db2.gz FMKLRNMBQWBVMD-LSDHHAIUSA-N 2 1 267.376 3.274 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435931 376815565 /nfs/dbraw/zinc/81/55/65/376815565.db2.gz QSTYGVKIHKERKG-RDJZCZTQSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435931 376815577 /nfs/dbraw/zinc/81/55/77/376815577.db2.gz QSTYGVKIHKERKG-RDJZCZTQSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435931 376815591 /nfs/dbraw/zinc/81/55/91/376815591.db2.gz QSTYGVKIHKERKG-RDJZCZTQSA-N 2 1 260.425 3.157 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000245562802 376856597 /nfs/dbraw/zinc/85/65/97/376856597.db2.gz CSDKREKHMHOGCP-FUHWJXTLSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000245562802 376856603 /nfs/dbraw/zinc/85/66/03/376856603.db2.gz CSDKREKHMHOGCP-FUHWJXTLSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000245562802 376856611 /nfs/dbraw/zinc/85/66/11/376856611.db2.gz CSDKREKHMHOGCP-FUHWJXTLSA-N 2 1 290.426 3.174 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093941024 284604602 /nfs/dbraw/zinc/60/46/02/284604602.db2.gz YHYQMPACVUYNPE-HNNXBMFYSA-N 2 1 277.456 3.135 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245634305 376872891 /nfs/dbraw/zinc/87/28/91/376872891.db2.gz QXQWGKJUTRKGSC-WBVHZDCISA-N 2 1 288.435 3.316 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000556870542 376895815 /nfs/dbraw/zinc/89/58/15/376895815.db2.gz OSBACRFRRLPGPM-GUDVDZBRSA-N 2 1 286.463 3.308 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000556943380 376908709 /nfs/dbraw/zinc/90/87/09/376908709.db2.gz QGCPZMAXASTUQN-JFIYKMOQSA-N 2 1 272.436 3.172 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OCCC)cc1 ZINC000556935005 376908755 /nfs/dbraw/zinc/90/87/55/376908755.db2.gz KMXNWPJPTSESFH-OAHLLOKOSA-N 2 1 264.413 3.083 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340177034 376934885 /nfs/dbraw/zinc/93/48/85/376934885.db2.gz UCSRRTDRWYNNNU-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP CCN(CC)c1ccc(N[C@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000245935147 376938448 /nfs/dbraw/zinc/93/84/48/376938448.db2.gz WSJMSEMOVFVJLN-HOCLYGCPSA-N 2 1 290.455 3.070 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1(CC)CC ZINC000245945225 376940886 /nfs/dbraw/zinc/94/08/86/376940886.db2.gz VNUGTSBDKWJZCT-HYVNUMGLSA-N 2 1 294.483 3.044 20 0 CGADMP CC[NH+](C/C=C\C[N@H+](CC)C1CCC1)C1CCC1 ZINC000340197801 376946502 /nfs/dbraw/zinc/94/65/02/376946502.db2.gz LJZZBCHTYSUACA-WAYWQWQTSA-N 2 1 250.430 3.291 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246335414 377013907 /nfs/dbraw/zinc/01/39/07/377013907.db2.gz GLYIVTAEYDYJSC-SOLBZPMBSA-N 2 1 274.452 3.164 20 0 CGADMP FC1(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558493246 377014176 /nfs/dbraw/zinc/01/41/76/377014176.db2.gz LEWOWWUNCUMNCD-KRWDZBQOSA-N 2 1 290.426 3.380 20 0 CGADMP FC1(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000558493246 377014180 /nfs/dbraw/zinc/01/41/80/377014180.db2.gz LEWOWWUNCUMNCD-KRWDZBQOSA-N 2 1 290.426 3.380 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246414638 377026302 /nfs/dbraw/zinc/02/63/02/377026302.db2.gz MQXXVMKZBXEECA-WMLDXEAASA-N 2 1 286.419 3.295 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558699494 377035756 /nfs/dbraw/zinc/03/57/56/377035756.db2.gz QPGSCAXLIGMWLH-YYIAUSFCSA-N 2 1 264.457 3.419 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C12CCCCC2 ZINC000246722040 377076928 /nfs/dbraw/zinc/07/69/28/377076928.db2.gz DDNDWAZHZHFTNK-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768490 377085402 /nfs/dbraw/zinc/08/54/02/377085402.db2.gz QJIUNUJISQWLOK-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768490 377085407 /nfs/dbraw/zinc/08/54/07/377085407.db2.gz QJIUNUJISQWLOK-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768490 377085414 /nfs/dbraw/zinc/08/54/14/377085414.db2.gz QJIUNUJISQWLOK-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)no1 ZINC000340473867 377086532 /nfs/dbraw/zinc/08/65/32/377086532.db2.gz RATOYDSFPMVGAW-ZFWWWQNUSA-N 2 1 279.428 3.146 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@]2(C)CCCO2)c1 ZINC000340476245 377088561 /nfs/dbraw/zinc/08/85/61/377088561.db2.gz HGIPXFAZDJFDTM-YJBOKZPZSA-N 2 1 290.451 3.186 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246822330 377096679 /nfs/dbraw/zinc/09/66/79/377096679.db2.gz ARSNRRJLBKMKHQ-RRFJBIMHSA-N 2 1 276.424 3.219 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC000246817494 377097220 /nfs/dbraw/zinc/09/72/20/377097220.db2.gz BAEDUZSEQOJLHP-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000246860173 377105156 /nfs/dbraw/zinc/10/51/56/377105156.db2.gz CZNLSAZWXQMZLF-FVCCEPFGSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000246860173 377105159 /nfs/dbraw/zinc/10/51/59/377105159.db2.gz CZNLSAZWXQMZLF-FVCCEPFGSA-N 2 1 278.362 3.180 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000247004572 377136206 /nfs/dbraw/zinc/13/62/06/377136206.db2.gz KCGSHYNYFGIKEL-CAOSSQGBSA-N 2 1 284.513 3.371 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247067364 377152446 /nfs/dbraw/zinc/15/24/46/377152446.db2.gz OCUUHTXLQMWBNC-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000247093673 377156643 /nfs/dbraw/zinc/15/66/43/377156643.db2.gz PNXOYXHSHLNBLV-PBHICJAKSA-N 2 1 272.436 3.340 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247094950 377158270 /nfs/dbraw/zinc/15/82/70/377158270.db2.gz RVZPGELRJNCWOZ-JQHSSLGASA-N 2 1 274.452 3.470 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247094950 377158279 /nfs/dbraw/zinc/15/82/79/377158279.db2.gz RVZPGELRJNCWOZ-JQHSSLGASA-N 2 1 274.452 3.470 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2C)[C@@H](C)C1 ZINC000247119608 377161875 /nfs/dbraw/zinc/16/18/75/377161875.db2.gz PPJLZHNGBOLENX-ULQDDVLXSA-N 2 1 290.451 3.082 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCSc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000560521386 377164336 /nfs/dbraw/zinc/16/43/36/377164336.db2.gz KPGFFNAHAHQIMS-ULQDDVLXSA-N 2 1 290.476 3.241 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cccc(C)c23)[C@@H](C)C1 ZINC000247142236 377166848 /nfs/dbraw/zinc/16/68/48/377166848.db2.gz WGKBJDWQTKGYSJ-DOTOQJQBSA-N 2 1 299.462 3.339 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Sc1ccccc1 ZINC000247214264 377177292 /nfs/dbraw/zinc/17/72/92/377177292.db2.gz VZJCGQFUQPMVAJ-LJIGWXMPSA-N 2 1 292.492 3.486 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000247219076 377179595 /nfs/dbraw/zinc/17/95/95/377179595.db2.gz XLMTXFBPICHQCT-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000247219076 377179604 /nfs/dbraw/zinc/17/96/04/377179604.db2.gz XLMTXFBPICHQCT-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000247233842 377183385 /nfs/dbraw/zinc/18/33/85/377183385.db2.gz YLOKERBQQGDDAB-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000247233842 377183389 /nfs/dbraw/zinc/18/33/89/377183389.db2.gz YLOKERBQQGDDAB-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000248049239 377261064 /nfs/dbraw/zinc/26/10/64/377261064.db2.gz VVMAUMKMZDADRR-YOEHRIQHSA-N 2 1 285.435 3.030 20 0 CGADMP Cc1ccc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248446293 377322164 /nfs/dbraw/zinc/32/21/64/377322164.db2.gz GUVHWQSNDRLVHW-OALUTQOASA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248446293 377322175 /nfs/dbraw/zinc/32/21/75/377322175.db2.gz GUVHWQSNDRLVHW-OALUTQOASA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248446293 377322178 /nfs/dbraw/zinc/32/21/78/377322178.db2.gz GUVHWQSNDRLVHW-OALUTQOASA-N 2 1 286.463 3.344 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000248178611 377276886 /nfs/dbraw/zinc/27/68/86/377276886.db2.gz WADDDWDJTYIHBJ-ZWKOTPCHSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)c(F)c1 ZINC000562980981 377383893 /nfs/dbraw/zinc/38/38/93/377383893.db2.gz RQOJIIOLJXZLLW-CUOATXAZSA-N 2 1 270.779 3.400 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)oc2cc1C ZINC000563134969 377407000 /nfs/dbraw/zinc/40/70/00/377407000.db2.gz AWVUZGIQXVEGNQ-ZBFHGGJFSA-N 2 1 284.403 3.091 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)oc2cc1C ZINC000563134969 377407004 /nfs/dbraw/zinc/40/70/04/377407004.db2.gz AWVUZGIQXVEGNQ-ZBFHGGJFSA-N 2 1 284.403 3.091 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC(C)(C)CC2)CCOCC1 ZINC000563442054 377465450 /nfs/dbraw/zinc/46/54/50/377465450.db2.gz VYOJVTZEJFHCJW-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249111112 377466096 /nfs/dbraw/zinc/46/60/96/377466096.db2.gz QYKAGKKTNCOWIA-NXHRZFHOSA-N 2 1 272.436 3.287 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000086119568 249017029 /nfs/dbraw/zinc/01/70/29/249017029.db2.gz PNUKNMPFTOBJOF-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094826318 249042433 /nfs/dbraw/zinc/04/24/33/249042433.db2.gz CTMKJNAGIBXJNA-GFCCVEGCSA-N 2 1 282.378 3.490 20 0 CGADMP Fc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000037648915 249002395 /nfs/dbraw/zinc/00/23/95/249002395.db2.gz VPJRATAUOKNWAD-NFOMZHRRSA-N 2 1 288.410 3.146 20 0 CGADMP c1[nH]c2ccccc2c1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166540702 542175485 /nfs/dbraw/zinc/17/54/85/542175485.db2.gz QWKSEMJFIMOGEQ-DLBZAZTESA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166652418 542175938 /nfs/dbraw/zinc/17/59/38/542175938.db2.gz ANRJAXNMGSKHBP-BPQIPLTHSA-N 2 1 272.436 3.315 20 0 CGADMP CO[C@H](C)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000182220923 249054404 /nfs/dbraw/zinc/05/44/04/249054404.db2.gz UXCIUWJXHHVSPS-JZXOWHBKSA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000182220923 249054408 /nfs/dbraw/zinc/05/44/08/249054408.db2.gz UXCIUWJXHHVSPS-JZXOWHBKSA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000182220923 249054412 /nfs/dbraw/zinc/05/44/12/249054412.db2.gz UXCIUWJXHHVSPS-JZXOWHBKSA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000182220923 249054413 /nfs/dbraw/zinc/05/44/13/249054413.db2.gz UXCIUWJXHHVSPS-JZXOWHBKSA-N 2 1 290.451 3.006 20 0 CGADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272997811 249064065 /nfs/dbraw/zinc/06/40/65/249064065.db2.gz QXBGUECPZAYLNI-CHWSQXEVSA-N 2 1 299.422 3.023 20 0 CGADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272997811 249064069 /nfs/dbraw/zinc/06/40/69/249064069.db2.gz QXBGUECPZAYLNI-CHWSQXEVSA-N 2 1 299.422 3.023 20 0 CGADMP C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400318190 249122495 /nfs/dbraw/zinc/12/24/95/249122495.db2.gz AFGFMQAPAOYWMW-CXAGYDPISA-N 2 1 254.377 3.070 20 0 CGADMP C[C@]1(C[NH2+]Cc2cc3cc(F)ccc3o2)CCC[NH2+]C1 ZINC000414908365 249124169 /nfs/dbraw/zinc/12/41/69/249124169.db2.gz QVUIQBOFRQCPNU-INIZCTEOSA-N 2 1 276.355 3.051 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)C(C)C)C1 ZINC000249971506 377545427 /nfs/dbraw/zinc/54/54/27/377545427.db2.gz KMICTRNSZGTTMP-ZWKOTPCHSA-N 2 1 274.452 3.185 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000339189038 249101766 /nfs/dbraw/zinc/10/17/66/249101766.db2.gz FVPKCPGPQWRGQE-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422907268 249126851 /nfs/dbraw/zinc/12/68/51/249126851.db2.gz WSGIHLAPQHXVDS-MWLCHTKSSA-N 2 1 295.839 3.167 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250108681 377551681 /nfs/dbraw/zinc/55/16/81/377551681.db2.gz GYZKVPHBPZQVPS-STCOUPBVSA-N 2 1 288.410 3.288 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000469860621 249160293 /nfs/dbraw/zinc/16/02/93/249160293.db2.gz GGJQFHJHZWXEPC-ZBFHGGJFSA-N 2 1 276.424 3.035 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000250584460 377563599 /nfs/dbraw/zinc/56/35/99/377563599.db2.gz WUOKBHYDZNKHLS-LUKYLMHMSA-N 2 1 294.483 3.043 20 0 CGADMP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000515279150 249206346 /nfs/dbraw/zinc/20/63/46/249206346.db2.gz IHAWRGULKPSBCB-CYBMUJFWSA-N 2 1 266.454 3.227 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000515279150 249206348 /nfs/dbraw/zinc/20/63/48/249206348.db2.gz IHAWRGULKPSBCB-CYBMUJFWSA-N 2 1 266.454 3.227 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000469992549 249166325 /nfs/dbraw/zinc/16/63/25/249166325.db2.gz QQIPHJINQCRRAG-QGZVFWFLSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000251147047 377573803 /nfs/dbraw/zinc/57/38/03/377573803.db2.gz XRIRDONVVQURLC-KTFSGNIMSA-N 2 1 258.409 3.005 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000514803354 249189900 /nfs/dbraw/zinc/18/99/00/249189900.db2.gz YNCHESANVWFUJV-PJVZLEMVSA-N 2 1 284.447 3.253 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000251253456 377577812 /nfs/dbraw/zinc/57/78/12/377577812.db2.gz JNVUHIZFSODWJC-YUTCNCBUSA-N 2 1 250.411 3.026 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000251253456 377577817 /nfs/dbraw/zinc/57/78/17/377577817.db2.gz JNVUHIZFSODWJC-YUTCNCBUSA-N 2 1 250.411 3.026 20 0 CGADMP C[C@H]1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)C1 ZINC000252215513 377619184 /nfs/dbraw/zinc/61/91/84/377619184.db2.gz ZCJUCOVGDDXDLU-HYCWQLOCSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)C1 ZINC000252215513 377619193 /nfs/dbraw/zinc/61/91/93/377619193.db2.gz ZCJUCOVGDDXDLU-HYCWQLOCSA-N 2 1 264.457 3.416 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000252513571 377634953 /nfs/dbraw/zinc/63/49/53/377634953.db2.gz YSOXSKPVBMOHDK-FXUDXRNXSA-N 2 1 250.430 3.172 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674972 377650184 /nfs/dbraw/zinc/65/01/84/377650184.db2.gz WJEOHKWCLQOBSS-CABCVRRESA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674972 377650190 /nfs/dbraw/zinc/65/01/90/377650190.db2.gz WJEOHKWCLQOBSS-CABCVRRESA-N 2 1 298.352 3.422 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000252711036 377654814 /nfs/dbraw/zinc/65/48/14/377654814.db2.gz IIUVFNROBKHKQH-IKWCTNDRSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000252711036 377654824 /nfs/dbraw/zinc/65/48/24/377654824.db2.gz IIUVFNROBKHKQH-IKWCTNDRSA-N 2 1 278.362 3.037 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]21 ZINC000252871160 377667013 /nfs/dbraw/zinc/66/70/13/377667013.db2.gz SSZRTQBEYQAYSZ-SPUZQDLCSA-N 2 1 270.420 3.123 20 0 CGADMP CCC1CC([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000342692590 377736230 /nfs/dbraw/zinc/73/62/30/377736230.db2.gz ZSGIHHRARVCJMQ-UHFFFAOYSA-N 2 1 260.425 3.417 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000255523708 377762629 /nfs/dbraw/zinc/76/26/29/377762629.db2.gz QCEMFSFFTCFUIX-XOQYZJNISA-N 2 1 272.436 3.364 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000255523708 377762634 /nfs/dbraw/zinc/76/26/34/377762634.db2.gz QCEMFSFFTCFUIX-XOQYZJNISA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255523708 377762637 /nfs/dbraw/zinc/76/26/37/377762637.db2.gz QCEMFSFFTCFUIX-XOQYZJNISA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255523708 377762640 /nfs/dbraw/zinc/76/26/40/377762640.db2.gz QCEMFSFFTCFUIX-XOQYZJNISA-N 2 1 272.436 3.364 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000261630623 377829592 /nfs/dbraw/zinc/82/95/92/377829592.db2.gz CWEJCIIACFGWDJ-QGZVFWFLSA-N 2 1 288.366 3.256 20 0 CGADMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000261888358 377863923 /nfs/dbraw/zinc/86/39/23/377863923.db2.gz SJEIEDVSYRVXPX-CJNGLKHVSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261942907 377871436 /nfs/dbraw/zinc/87/14/36/377871436.db2.gz MXSOOOMMCRACLS-ZOCIIQOWSA-N 2 1 298.405 3.356 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261942907 377871440 /nfs/dbraw/zinc/87/14/40/377871440.db2.gz MXSOOOMMCRACLS-ZOCIIQOWSA-N 2 1 298.405 3.356 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC12CCCCC2 ZINC000262039788 377882852 /nfs/dbraw/zinc/88/28/52/377882852.db2.gz PAPOYMNNBVYOCL-HZPDHXFCSA-N 2 1 264.457 3.278 20 0 CGADMP C[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])c1cccc(Cl)c1 ZINC000262038341 377882867 /nfs/dbraw/zinc/88/28/67/377882867.db2.gz XZKOPNQYKWWRMI-LBPRGKRZSA-N 2 1 268.832 3.360 20 0 CGADMP CC(C)C[C@H]1CCCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262056569 377883983 /nfs/dbraw/zinc/88/39/83/377883983.db2.gz QTCRLYYSMYDMHY-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261734695 377847011 /nfs/dbraw/zinc/84/70/11/377847011.db2.gz LODHVWAUZWDSDP-USXIJHARSA-N 2 1 272.436 3.153 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1c1ccccc1 ZINC000261771515 377851754 /nfs/dbraw/zinc/85/17/54/377851754.db2.gz SGLMSHFZHJHENR-YECZOLDGSA-N 2 1 292.426 3.374 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343095167 377901448 /nfs/dbraw/zinc/90/14/48/377901448.db2.gz NZKCXSDQRGAQKZ-INIZCTEOSA-N 2 1 278.827 3.401 20 0 CGADMP Cc1[nH+]ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Cl ZINC000343365631 377960717 /nfs/dbraw/zinc/96/07/17/377960717.db2.gz MHGLTPFCYDFMJT-FUNVUKJBSA-N 2 1 279.815 3.105 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1C ZINC000575759085 377988720 /nfs/dbraw/zinc/98/87/20/377988720.db2.gz KDUAWSZQDSHYTC-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP Cc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)cc1C ZINC000575759085 377988726 /nfs/dbraw/zinc/98/87/26/377988726.db2.gz KDUAWSZQDSHYTC-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000575837841 377995235 /nfs/dbraw/zinc/99/52/35/377995235.db2.gz PUPYHMVRWULWRZ-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc2cccnc12 ZINC000343598002 378034095 /nfs/dbraw/zinc/03/40/95/378034095.db2.gz FFUOEOGVFUKRCO-UHFFFAOYSA-N 2 1 297.446 3.461 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc2cccnc12 ZINC000343598002 378034099 /nfs/dbraw/zinc/03/40/99/378034099.db2.gz FFUOEOGVFUKRCO-UHFFFAOYSA-N 2 1 297.446 3.461 20 0 CGADMP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1F ZINC000343600033 378035389 /nfs/dbraw/zinc/03/53/89/378035389.db2.gz ITUCYAMMJAJHLD-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1F ZINC000343600033 378035395 /nfs/dbraw/zinc/03/53/95/378035395.db2.gz ITUCYAMMJAJHLD-UHFFFAOYSA-N 2 1 264.388 3.052 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000578517180 378077236 /nfs/dbraw/zinc/07/72/36/378077236.db2.gz VMAYFCGOZYOKIE-WRQOLXDDSA-N 2 1 264.457 3.418 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890329 378021327 /nfs/dbraw/zinc/02/13/27/378021327.db2.gz CCLXFLBFRHOMQR-ZACQAIPSSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890329 378021333 /nfs/dbraw/zinc/02/13/33/378021333.db2.gz CCLXFLBFRHOMQR-ZACQAIPSSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890329 378021338 /nfs/dbraw/zinc/02/13/38/378021338.db2.gz CCLXFLBFRHOMQR-ZACQAIPSSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c2c1 ZINC000578905090 378112490 /nfs/dbraw/zinc/11/24/90/378112490.db2.gz HESIJACUKGWHRM-HNNXBMFYSA-N 2 1 295.430 3.170 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c2c1 ZINC000578905090 378112496 /nfs/dbraw/zinc/11/24/96/378112496.db2.gz HESIJACUKGWHRM-HNNXBMFYSA-N 2 1 295.430 3.170 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccccc1 ZINC000268853352 378132225 /nfs/dbraw/zinc/13/22/25/378132225.db2.gz KVOYSVPUYVLBRZ-OAHLLOKOSA-N 2 1 271.408 3.193 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000268883093 378141774 /nfs/dbraw/zinc/14/17/74/378141774.db2.gz RXHBLOBGYLUWRO-LLVKDONJSA-N 2 1 279.334 3.211 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000578699572 378093106 /nfs/dbraw/zinc/09/31/06/378093106.db2.gz OQHSOYVTXOBJGW-CYBMUJFWSA-N 2 1 289.398 3.127 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000269115855 378188993 /nfs/dbraw/zinc/18/89/93/378188993.db2.gz WNTJXBDLVPPOKB-OIISXLGYSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000269115855 378188998 /nfs/dbraw/zinc/18/89/98/378188998.db2.gz WNTJXBDLVPPOKB-OIISXLGYSA-N 2 1 290.476 3.135 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000345173763 378213253 /nfs/dbraw/zinc/21/32/53/378213253.db2.gz MMTAYZFFCOJYOG-UHFFFAOYSA-N 2 1 284.325 3.057 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000268943246 378159094 /nfs/dbraw/zinc/15/90/94/378159094.db2.gz VZXWVAZGKFWBAS-XJIUQZFPSA-N 2 1 278.415 3.248 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268974967 378164808 /nfs/dbraw/zinc/16/48/08/378164808.db2.gz BHYHWZDEPMLBND-VYDXJSESSA-N 2 1 292.492 3.238 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268974967 378164811 /nfs/dbraw/zinc/16/48/11/378164811.db2.gz BHYHWZDEPMLBND-VYDXJSESSA-N 2 1 292.492 3.238 20 0 CGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269029768 378177101 /nfs/dbraw/zinc/17/71/01/378177101.db2.gz RUUJMLLTNXBAMX-CGTJXYLNSA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269029768 378177102 /nfs/dbraw/zinc/17/71/02/378177102.db2.gz RUUJMLLTNXBAMX-CGTJXYLNSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H]1C[NH+](CCCCNc2cc[nH+]cc2Cl)C[C@H](C)O1 ZINC000269056458 378181590 /nfs/dbraw/zinc/18/15/90/378181590.db2.gz SGAJSUFYNNTWHS-STQMWFEESA-N 2 1 297.830 3.036 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3ncccc3c2)C1 ZINC000582054705 378281895 /nfs/dbraw/zinc/28/18/95/378281895.db2.gz AJTPTKGAUBKLOO-IEBWSBKVSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054705 378281900 /nfs/dbraw/zinc/28/19/00/378281900.db2.gz AJTPTKGAUBKLOO-IEBWSBKVSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054705 378281904 /nfs/dbraw/zinc/28/19/04/378281904.db2.gz AJTPTKGAUBKLOO-IEBWSBKVSA-N 2 1 295.430 3.151 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000580180574 378229735 /nfs/dbraw/zinc/22/97/35/378229735.db2.gz ZFTCGBSSHQOHDI-NFAWXSAZSA-N 2 1 250.430 3.028 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000582189162 378291385 /nfs/dbraw/zinc/29/13/85/378291385.db2.gz IFDIKYPDJWURPH-UHFFFAOYSA-N 2 1 261.413 3.009 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC2(C1)CCCCC2 ZINC000582189162 378291389 /nfs/dbraw/zinc/29/13/89/378291389.db2.gz IFDIKYPDJWURPH-UHFFFAOYSA-N 2 1 261.413 3.009 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000583558599 378330790 /nfs/dbraw/zinc/33/07/90/378330790.db2.gz VHZRNUMSVMTFPO-STQMWFEESA-N 2 1 298.833 3.342 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000270831156 378403116 /nfs/dbraw/zinc/40/31/16/378403116.db2.gz CYSVHCINVHSRMJ-UHFFFAOYSA-N 2 1 269.348 3.070 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc2ccccc2o1 ZINC000270831156 378403120 /nfs/dbraw/zinc/40/31/20/378403120.db2.gz CYSVHCINVHSRMJ-UHFFFAOYSA-N 2 1 269.348 3.070 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000346175225 378491518 /nfs/dbraw/zinc/49/15/18/378491518.db2.gz NJNMAFHMGSBRQV-MAUKXSAKSA-N 2 1 296.418 3.340 20 0 CGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271904009 378512360 /nfs/dbraw/zinc/51/23/60/378512360.db2.gz WCOCRAHNXACUOF-GJZGRUSLSA-N 2 1 288.435 3.039 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000272093539 378561796 /nfs/dbraw/zinc/56/17/96/378561796.db2.gz OQMVWCBVFDSZOJ-LSDHHAIUSA-N 2 1 278.415 3.251 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000346570344 378626462 /nfs/dbraw/zinc/62/64/62/378626462.db2.gz VQKJCZRDUWUIFO-DJIMGWMZSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000346570344 378626464 /nfs/dbraw/zinc/62/64/64/378626464.db2.gz VQKJCZRDUWUIFO-DJIMGWMZSA-N 2 1 272.436 3.428 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000272392354 378626766 /nfs/dbraw/zinc/62/67/66/378626766.db2.gz IQKMRVCOGFHZCF-UHFFFAOYSA-N 2 1 278.827 3.365 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000346484258 378592129 /nfs/dbraw/zinc/59/21/29/378592129.db2.gz MVRVXEHGNYNWCO-QAPCUYQASA-N 2 1 290.451 3.184 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272299003 378606914 /nfs/dbraw/zinc/60/69/14/378606914.db2.gz GRHRMHZTCXMFHS-RLFYNMQTSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000346550275 378615433 /nfs/dbraw/zinc/61/54/33/378615433.db2.gz FXVKSXNCNMDTBC-XYJFISCASA-N 2 1 290.451 3.054 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000346651252 378661652 /nfs/dbraw/zinc/66/16/52/378661652.db2.gz VUCUFCUPVQARPS-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346819582 378691987 /nfs/dbraw/zinc/69/19/87/378691987.db2.gz HPKDLPHSKURJBV-JSGCOSHPSA-N 2 1 264.438 3.057 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2(C(C)C)CC2)C1 ZINC000638124275 378709676 /nfs/dbraw/zinc/70/96/76/378709676.db2.gz VGUKMGFVJPYIJN-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347872870 378728024 /nfs/dbraw/zinc/72/80/24/378728024.db2.gz DQNALSCBTBVFOZ-VKJFTORMSA-N 2 1 285.435 3.150 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000347923581 378729499 /nfs/dbraw/zinc/72/94/99/378729499.db2.gz OLIDAPHDOYAWDH-DLBZAZTESA-N 3 1 289.467 3.175 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000347923581 378729504 /nfs/dbraw/zinc/72/95/04/378729504.db2.gz OLIDAPHDOYAWDH-DLBZAZTESA-N 3 1 289.467 3.175 20 0 CGADMP COc1cccc(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000638348598 378774419 /nfs/dbraw/zinc/77/44/19/378774419.db2.gz PLPUTHQONLDTJX-UHFFFAOYSA-N 2 1 290.451 3.214 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638365790 378779459 /nfs/dbraw/zinc/77/94/59/378779459.db2.gz HUORWFZMNZCAMH-NXOAAHMSSA-N 2 1 264.457 3.277 20 0 CGADMP COCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC000348079035 378780372 /nfs/dbraw/zinc/78/03/72/378780372.db2.gz PYZLRZRTTMYIKI-FUHWJXTLSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC000348079035 378780380 /nfs/dbraw/zinc/78/03/80/378780380.db2.gz PYZLRZRTTMYIKI-FUHWJXTLSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC000348079035 378780384 /nfs/dbraw/zinc/78/03/84/378780384.db2.gz PYZLRZRTTMYIKI-FUHWJXTLSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000348079035 378780390 /nfs/dbraw/zinc/78/03/90/378780390.db2.gz PYZLRZRTTMYIKI-FUHWJXTLSA-N 2 1 290.451 3.180 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638380648 378786178 /nfs/dbraw/zinc/78/61/78/378786178.db2.gz DJFNNHYWRDXXQH-AWEZNQCLSA-N 2 1 262.441 3.341 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784735 218012599 /nfs/dbraw/zinc/01/25/99/218012599.db2.gz YJGSQYBONIURLL-GLJUWKHASA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784735 218012601 /nfs/dbraw/zinc/01/26/01/218012601.db2.gz YJGSQYBONIURLL-GLJUWKHASA-N 2 1 283.419 3.053 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000348118063 378799152 /nfs/dbraw/zinc/79/91/52/378799152.db2.gz DZOQTSACVHQHCW-BPLDGKMQSA-N 2 1 263.429 3.242 20 0 CGADMP CC(C)[N@H+](Cc1cccc(Br)c1)CC(C)(C)[NH3+] ZINC000346847629 218033786 /nfs/dbraw/zinc/03/37/86/218033786.db2.gz PNNQNKNTPKUWQP-UHFFFAOYSA-N 2 1 299.256 3.397 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(Br)c1)CC(C)(C)[NH3+] ZINC000346847629 218033788 /nfs/dbraw/zinc/03/37/88/218033788.db2.gz PNNQNKNTPKUWQP-UHFFFAOYSA-N 2 1 299.256 3.397 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638450771 378807830 /nfs/dbraw/zinc/80/78/30/378807830.db2.gz HGEYUCUHIVQLSR-INIZCTEOSA-N 2 1 290.451 3.166 20 0 CGADMP CC(C)[N@H+](Cc1cccc(Cl)c1)CC(C)(C)[NH3+] ZINC000346828840 218025869 /nfs/dbraw/zinc/02/58/69/218025869.db2.gz IVUGXYZDQYCJKR-UHFFFAOYSA-N 2 1 254.805 3.288 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(Cl)c1)CC(C)(C)[NH3+] ZINC000346828840 218025871 /nfs/dbraw/zinc/02/58/71/218025871.db2.gz IVUGXYZDQYCJKR-UHFFFAOYSA-N 2 1 254.805 3.288 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000638563213 378835456 /nfs/dbraw/zinc/83/54/56/378835456.db2.gz JXNYYUQXGDBYRU-CZUORRHYSA-N 2 1 278.465 3.122 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348252832 378866288 /nfs/dbraw/zinc/86/62/88/378866288.db2.gz CARMWNSCZMVYGZ-UAGQMJEPSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348252832 378866298 /nfs/dbraw/zinc/86/62/98/378866298.db2.gz CARMWNSCZMVYGZ-UAGQMJEPSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/Cl ZINC000274790188 378895410 /nfs/dbraw/zinc/89/54/10/378895410.db2.gz BTNOBMYJLUCVPD-CCSFHNQDSA-N 2 1 278.827 3.239 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000346994625 218083543 /nfs/dbraw/zinc/08/35/43/218083543.db2.gz UQHLLSOAXLKXLC-UXLLHSPISA-N 2 1 290.476 3.165 20 0 CGADMP CC(C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)CC1CCC1 ZINC000348405824 378944055 /nfs/dbraw/zinc/94/40/55/378944055.db2.gz JIDNJLIVSOPTMD-UHFFFAOYSA-N 2 1 281.469 3.215 20 0 CGADMP CC(C)[N@H+](Cc1ncc(C[NH+](C)C)s1)CC1CCC1 ZINC000348405824 378944057 /nfs/dbraw/zinc/94/40/57/378944057.db2.gz JIDNJLIVSOPTMD-UHFFFAOYSA-N 2 1 281.469 3.215 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347036511 218101105 /nfs/dbraw/zinc/10/11/05/218101105.db2.gz GZAFJCOEADXGBP-GOEBONIOSA-N 2 1 276.424 3.035 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347036511 218101107 /nfs/dbraw/zinc/10/11/07/218101107.db2.gz GZAFJCOEADXGBP-GOEBONIOSA-N 2 1 276.424 3.035 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000347055744 218105243 /nfs/dbraw/zinc/10/52/43/218105243.db2.gz UDESNAVJWGGFMD-MAUKXSAKSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cc([C@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)ccc1F ZINC000276698717 378981998 /nfs/dbraw/zinc/98/19/98/378981998.db2.gz UAMWVYNPRSXJPR-QGZVFWFLSA-N 2 1 287.382 3.151 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495555 379025000 /nfs/dbraw/zinc/02/50/00/379025000.db2.gz YYDJKCLQJGFDJT-AEFFLSMTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495555 379025008 /nfs/dbraw/zinc/02/50/08/379025008.db2.gz YYDJKCLQJGFDJT-AEFFLSMTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495555 379025014 /nfs/dbraw/zinc/02/50/14/379025014.db2.gz YYDJKCLQJGFDJT-AEFFLSMTSA-N 2 1 288.435 3.014 20 0 CGADMP COc1cccc(CCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277116877 379074319 /nfs/dbraw/zinc/07/43/19/379074319.db2.gz HMCJCGDAGKEYSE-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277147699 379081827 /nfs/dbraw/zinc/08/18/27/379081827.db2.gz JJYXWJDCBIQNGO-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277147699 379081835 /nfs/dbraw/zinc/08/18/35/379081835.db2.gz JJYXWJDCBIQNGO-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348878895 379094194 /nfs/dbraw/zinc/09/41/94/379094194.db2.gz RESBULCEKOEMTM-QRXAFDDPSA-N 2 1 284.447 3.347 20 0 CGADMP C[NH+](C[C@@H]1C[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348878895 379094202 /nfs/dbraw/zinc/09/42/02/379094202.db2.gz RESBULCEKOEMTM-QRXAFDDPSA-N 2 1 284.447 3.347 20 0 CGADMP C[NH+](C[C@@H]1C[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348878895 379094209 /nfs/dbraw/zinc/09/42/09/379094209.db2.gz RESBULCEKOEMTM-QRXAFDDPSA-N 2 1 284.447 3.347 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CCSCC1 ZINC000639177605 379095085 /nfs/dbraw/zinc/09/50/85/379095085.db2.gz WAXVFJFNUBNQPI-UHFFFAOYSA-N 2 1 295.496 3.301 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CCSCC1 ZINC000639177605 379095098 /nfs/dbraw/zinc/09/50/98/379095098.db2.gz WAXVFJFNUBNQPI-UHFFFAOYSA-N 2 1 295.496 3.301 20 0 CGADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277601299 379197660 /nfs/dbraw/zinc/19/76/60/379197660.db2.gz VRCMSCTXNXLBKO-RDJZCZTQSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688355 379200392 /nfs/dbraw/zinc/20/03/92/379200392.db2.gz DJHNWZIQNYXBNH-VEZWFGLTSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688355 379200402 /nfs/dbraw/zinc/20/04/02/379200402.db2.gz DJHNWZIQNYXBNH-VEZWFGLTSA-N 2 1 294.483 3.188 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC34CC4)CC[N@H+]2C2CC2)cc1 ZINC000639276463 379221814 /nfs/dbraw/zinc/22/18/14/379221814.db2.gz BZUZZVAYJLLFQA-NJAFHUGGSA-N 2 1 282.431 3.497 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC34CC4)CC[N@@H+]2C2CC2)cc1 ZINC000639276463 379221819 /nfs/dbraw/zinc/22/18/19/379221819.db2.gz BZUZZVAYJLLFQA-NJAFHUGGSA-N 2 1 282.431 3.497 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCC(F)(F)CC1 ZINC000347533734 218265800 /nfs/dbraw/zinc/26/58/00/218265800.db2.gz FWNPRAFOYARGTC-UHFFFAOYSA-N 2 1 274.399 3.372 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(OCC)c1 ZINC000349379149 379258471 /nfs/dbraw/zinc/25/84/71/379258471.db2.gz AHRJYAHYEOMKJB-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)cc1C ZINC000349420044 379277491 /nfs/dbraw/zinc/27/74/91/379277491.db2.gz QCFRLODOAMVZLM-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C2 ZINC000278920801 194214198 /nfs/dbraw/zinc/21/41/98/194214198.db2.gz HYZOQJJPZZOLQC-FUHWJXTLSA-N 2 1 295.430 3.056 20 0 CGADMP Cc1nc(F)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000278437320 379386365 /nfs/dbraw/zinc/38/63/65/379386365.db2.gz TUINFHNHAWPJLT-AWEZNQCLSA-N 2 1 293.430 3.131 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000349816141 379397320 /nfs/dbraw/zinc/39/73/20/379397320.db2.gz KHZZPAOLKYISEM-OAHLLOKOSA-N 2 1 250.430 3.147 20 0 CGADMP c1coc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278987753 379409925 /nfs/dbraw/zinc/40/99/25/379409925.db2.gz ADXNGPYWZRWOKD-UHFFFAOYSA-N 2 1 285.391 3.192 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000279828835 379528114 /nfs/dbraw/zinc/52/81/14/379528114.db2.gz QCSZUYSORNKSDE-RYRKJORJSA-N 2 1 288.410 3.420 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000266896543 190288620 /nfs/dbraw/zinc/28/86/20/190288620.db2.gz SPCHWMKLCFBUJD-LBPRGKRZSA-N 2 1 275.421 3.264 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266949878 190292885 /nfs/dbraw/zinc/29/28/85/190292885.db2.gz TYMMRBWFJIIHKT-OAHLLOKOSA-N 2 1 269.392 3.406 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000267115269 190304284 /nfs/dbraw/zinc/30/42/84/190304284.db2.gz YVCRFYKHSVCSNQ-HKMNZKMDSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000267115269 190304285 /nfs/dbraw/zinc/30/42/85/190304285.db2.gz YVCRFYKHSVCSNQ-HKMNZKMDSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000267115269 190304286 /nfs/dbraw/zinc/30/42/86/190304286.db2.gz YVCRFYKHSVCSNQ-HKMNZKMDSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000267115269 190304287 /nfs/dbraw/zinc/30/42/87/190304287.db2.gz YVCRFYKHSVCSNQ-HKMNZKMDSA-N 2 1 272.436 3.364 20 0 CGADMP CC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000280573519 379736304 /nfs/dbraw/zinc/73/63/04/379736304.db2.gz LWNNYMQPGFXLMY-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000377803788 379743980 /nfs/dbraw/zinc/74/39/80/379743980.db2.gz ZVKPKVYZNCOJJP-HLPPOEQASA-N 2 1 275.440 3.317 20 0 CGADMP C[C@@H](F)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000352415553 379803556 /nfs/dbraw/zinc/80/35/56/379803556.db2.gz XVKKFVHRNJAFRH-CYBMUJFWSA-N 2 1 279.403 3.147 20 0 CGADMP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352525637 379845110 /nfs/dbraw/zinc/84/51/10/379845110.db2.gz HTRRILMNCPPIJU-OAHLLOKOSA-N 2 1 298.352 3.281 20 0 CGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352525637 379845113 /nfs/dbraw/zinc/84/51/13/379845113.db2.gz HTRRILMNCPPIJU-OAHLLOKOSA-N 2 1 298.352 3.281 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000352535940 379847228 /nfs/dbraw/zinc/84/72/28/379847228.db2.gz XMDJNGIVZWURJM-AWEZNQCLSA-N 2 1 276.355 3.275 20 0 CGADMP [NH3+]CCC[N@H+](Cc1scnc1C1CC1)CC1CCCC1 ZINC000352546425 379852760 /nfs/dbraw/zinc/85/27/60/379852760.db2.gz UZAGVSBRUUAOLD-UHFFFAOYSA-N 2 1 293.480 3.362 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217995 379823870 /nfs/dbraw/zinc/82/38/70/379823870.db2.gz TXTVBBQPCVDNQM-YLQAJVPDSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217995 379823874 /nfs/dbraw/zinc/82/38/74/379823874.db2.gz TXTVBBQPCVDNQM-YLQAJVPDSA-N 2 1 276.399 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000282465976 379926543 /nfs/dbraw/zinc/92/65/43/379926543.db2.gz VXMBFDQJITZPGT-YOEHRIQHSA-N 2 1 285.435 3.030 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000571053456 322288691 /nfs/dbraw/zinc/28/86/91/322288691.db2.gz LTRWBSFXAKYPPN-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)oc1C ZINC000282348731 379902486 /nfs/dbraw/zinc/90/24/86/379902486.db2.gz VRTMZCQWWUMKIZ-CFVMTHIKSA-N 2 1 264.413 3.420 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352778786 379954298 /nfs/dbraw/zinc/95/42/98/379954298.db2.gz ICCRUFVHQFXGBH-CHWSQXEVSA-N 2 1 281.469 3.121 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C12CC3CC(CC(C3)C1)C2 ZINC000401763870 379958522 /nfs/dbraw/zinc/95/85/22/379958522.db2.gz KCLZNJMLTFBFAM-ZZFFKQLHSA-N 2 1 287.451 3.157 20 0 CGADMP CSC1(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000347921115 218399652 /nfs/dbraw/zinc/39/96/52/218399652.db2.gz LXHYGLLHDQMTRD-GASCZTMLSA-N 2 1 284.513 3.230 20 0 CGADMP CCC(C)(C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353157344 380144866 /nfs/dbraw/zinc/14/48/66/380144866.db2.gz VRQSLFPMRUPEHU-YIONKMFJSA-N 2 1 252.446 3.370 20 0 CGADMP CCC(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353157344 380144872 /nfs/dbraw/zinc/14/48/72/380144872.db2.gz VRQSLFPMRUPEHU-YIONKMFJSA-N 2 1 252.446 3.370 20 0 CGADMP CCC(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353157344 380144879 /nfs/dbraw/zinc/14/48/79/380144879.db2.gz VRQSLFPMRUPEHU-YIONKMFJSA-N 2 1 252.446 3.370 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000410393877 380093165 /nfs/dbraw/zinc/09/31/65/380093165.db2.gz YTGUEYMQRFOCIB-SJORKVTESA-N 2 1 284.488 3.101 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000353130226 380131249 /nfs/dbraw/zinc/13/12/49/380131249.db2.gz OERAGPTYANSFDU-IIAWOOMASA-N 2 1 273.424 3.206 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000353136108 380133905 /nfs/dbraw/zinc/13/39/05/380133905.db2.gz JUSMCHLYHHDQND-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000353136108 380133911 /nfs/dbraw/zinc/13/39/11/380133911.db2.gz JUSMCHLYHHDQND-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353232790 380180871 /nfs/dbraw/zinc/18/08/71/380180871.db2.gz LULXEOGLSSUGOD-GFCCVEGCSA-N 2 1 274.399 3.274 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000414097659 380189757 /nfs/dbraw/zinc/18/97/57/380189757.db2.gz IJZZSXPXEQDEMJ-SOUVJXGZSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000414097659 380189764 /nfs/dbraw/zinc/18/97/64/380189764.db2.gz IJZZSXPXEQDEMJ-SOUVJXGZSA-N 2 1 276.424 3.137 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000414176972 380200212 /nfs/dbraw/zinc/20/02/12/380200212.db2.gz IPRADDWXMPCJMW-OAGGEKHMSA-N 2 1 270.436 3.226 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)s1 ZINC000414483979 380261405 /nfs/dbraw/zinc/26/14/05/380261405.db2.gz NJMYHUKGKZSJNF-ZFWWWQNUSA-N 2 1 293.480 3.121 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000353924348 380237931 /nfs/dbraw/zinc/23/79/31/380237931.db2.gz BLWDCQMOGZTOGF-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)n1nccc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000353928880 380240745 /nfs/dbraw/zinc/24/07/45/380240745.db2.gz MCUQYVBKQYEQGQ-MRXNPFEDSA-N 2 1 292.471 3.208 20 0 CGADMP CCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000643493367 380318886 /nfs/dbraw/zinc/31/88/86/380318886.db2.gz KYEHGFAFXPUWQQ-BZUAXINKSA-N 2 1 291.439 3.028 20 0 CGADMP CCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000643493369 380319458 /nfs/dbraw/zinc/31/94/58/380319458.db2.gz KYEHGFAFXPUWQQ-OWCLPIDISA-N 2 1 291.439 3.028 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3cccnc32)CCCCCC1 ZINC000643498760 380321365 /nfs/dbraw/zinc/32/13/65/380321365.db2.gz RBDSAMNPFKYDGJ-HNNXBMFYSA-N 2 1 273.424 3.100 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000354098599 380322314 /nfs/dbraw/zinc/32/23/14/380322314.db2.gz YRTVFQRHUFBADQ-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000354098599 380322320 /nfs/dbraw/zinc/32/23/20/380322320.db2.gz YRTVFQRHUFBADQ-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000354098599 380322327 /nfs/dbraw/zinc/32/23/27/380322327.db2.gz YRTVFQRHUFBADQ-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000643501498 380322649 /nfs/dbraw/zinc/32/26/49/380322649.db2.gz JDEUACPXFQRICC-GOEBONIOSA-N 2 1 260.425 3.084 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)c1 ZINC000643501631 380323158 /nfs/dbraw/zinc/32/31/58/380323158.db2.gz MRIKQLRHOCNYOI-ZWKOTPCHSA-N 2 1 272.436 3.048 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506540 380327802 /nfs/dbraw/zinc/32/78/02/380327802.db2.gz AJXUXWHIWCMTIA-JKSUJKDBSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)n1 ZINC000643511397 380333073 /nfs/dbraw/zinc/33/30/73/380333073.db2.gz BPHYOCRUCZDAHZ-WMLDXEAASA-N 2 1 275.440 3.257 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)n1 ZINC000643511396 380333166 /nfs/dbraw/zinc/33/31/66/380333166.db2.gz BPHYOCRUCZDAHZ-RHSMWYFYSA-N 2 1 275.440 3.257 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000414671334 380363827 /nfs/dbraw/zinc/36/38/27/380363827.db2.gz NXJSNXDVOCTRAX-HZZCBIDNSA-N 2 1 284.447 3.166 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000414671536 380364083 /nfs/dbraw/zinc/36/40/83/380364083.db2.gz NXJSNXDVOCTRAX-UJCHZGTJSA-N 2 1 284.447 3.166 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414692619 380377136 /nfs/dbraw/zinc/37/71/36/380377136.db2.gz CVBXVPVWLSNYOJ-XYJFISCASA-N 2 1 274.452 3.246 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](CCc2cccc(F)c2)C2CC2)CC[NH2+]1 ZINC000414696354 380378111 /nfs/dbraw/zinc/37/81/11/380378111.db2.gz HIQXFLUBYBVBDK-GOEBONIOSA-N 2 1 290.426 3.221 20 0 CGADMP CC[N@H+](Cc1c(F)cccc1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697399 380379000 /nfs/dbraw/zinc/37/90/00/380379000.db2.gz QWCCNOBREXYCIG-CHWSQXEVSA-N 2 1 282.378 3.175 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](CCC[NH3+])C1CC1 ZINC000414701714 380380235 /nfs/dbraw/zinc/38/02/35/380380235.db2.gz KPUUUZNRJMFUCH-LLVKDONJSA-N 2 1 252.789 3.214 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C(F)(F)F ZINC000414772296 380396897 /nfs/dbraw/zinc/39/68/97/380396897.db2.gz QUWXOJJQKZYIFZ-KBPBESRZSA-N 2 1 298.352 3.055 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC000414732315 380389195 /nfs/dbraw/zinc/38/91/95/380389195.db2.gz BJSORXNBFACEEY-WCQYABFASA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)COc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000414750167 380391116 /nfs/dbraw/zinc/39/11/16/380391116.db2.gz KXEOLJYNJMBWAI-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000354129020 380337741 /nfs/dbraw/zinc/33/77/41/380337741.db2.gz XLXSXSUVIUTHJW-AWEZNQCLSA-N 2 1 295.361 3.463 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000643526873 380342243 /nfs/dbraw/zinc/34/22/43/380342243.db2.gz BCZMSFCCGKICSN-OQPBUACISA-N 2 1 273.207 3.381 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1OCCC ZINC000643526238 380343209 /nfs/dbraw/zinc/34/32/09/380343209.db2.gz VUZXQCLUQSSCAZ-UONOGXRCSA-N 2 1 294.439 3.262 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000643528075 380345090 /nfs/dbraw/zinc/34/50/90/380345090.db2.gz YQTXSIDBELFMGA-RISCZKNCSA-N 2 1 299.256 3.473 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643546429 380359990 /nfs/dbraw/zinc/35/99/90/380359990.db2.gz OQDCATXIBQFPTP-AAEUAGOBSA-N 2 1 279.453 3.085 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546763 380361097 /nfs/dbraw/zinc/36/10/97/380361097.db2.gz UNTAETLYXCEYBJ-UONOGXRCSA-N 2 1 274.408 3.021 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000414811574 380423830 /nfs/dbraw/zinc/42/38/30/380423830.db2.gz JOQRYAIRYDOTMG-IRXDYDNUSA-N 2 1 262.441 3.423 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)C1CC1 ZINC000414813654 380424461 /nfs/dbraw/zinc/42/44/61/380424461.db2.gz YOKYYURQLVNNGA-IBGZPJMESA-N 2 1 296.414 3.093 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414817003 380428403 /nfs/dbraw/zinc/42/84/03/380428403.db2.gz RJWOPIMDCCHMOS-XYPWUTKMSA-N 2 1 296.414 3.221 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830489 380440665 /nfs/dbraw/zinc/44/06/65/380440665.db2.gz BCCPFXFGLOKCIQ-CRAIPNDOSA-N 2 1 274.452 3.423 20 0 CGADMP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1Oc1cccnc1 ZINC000414777747 380401385 /nfs/dbraw/zinc/40/13/85/380401385.db2.gz OTHDDTUSKKVYEH-UHFFFAOYSA-N 2 1 297.402 3.104 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1C(F)(F)F ZINC000414789129 380405119 /nfs/dbraw/zinc/40/51/19/380405119.db2.gz FBGHGTPHDSAWBW-ZDUSSCGKSA-N 2 1 274.330 3.087 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000414853153 380456204 /nfs/dbraw/zinc/45/62/04/380456204.db2.gz RYOCMXWILUXFGW-ROUUACIJSA-N 2 1 272.436 3.041 20 0 CGADMP c1nc(C2CCCC2)sc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414912000 380486186 /nfs/dbraw/zinc/48/61/86/380486186.db2.gz XJHHHYFUMSCJJF-CYBMUJFWSA-N 2 1 279.453 3.032 20 0 CGADMP COc1cccc2c(NCC3=CC[N@@H+](C)CC3)cc(C)nc12 ZINC000354590872 380497411 /nfs/dbraw/zinc/49/74/11/380497411.db2.gz VRXOKPGHMRPPMM-UHFFFAOYSA-N 2 1 297.402 3.226 20 0 CGADMP COc1cccc2c(NCC3=CC[N@H+](C)CC3)cc(C)[nH+]c12 ZINC000354590872 380497418 /nfs/dbraw/zinc/49/74/18/380497418.db2.gz VRXOKPGHMRPPMM-UHFFFAOYSA-N 2 1 297.402 3.226 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414937442 380497733 /nfs/dbraw/zinc/49/77/33/380497733.db2.gz VRCMFRRRODIDAM-DMDPSCGWSA-N 2 1 286.872 3.310 20 0 CGADMP CC1([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[NH2+]CC1 ZINC000414947272 380502738 /nfs/dbraw/zinc/50/27/38/380502738.db2.gz VZLNNMUCZHAOOB-UHFFFAOYSA-N 2 1 299.393 3.119 20 0 CGADMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414859757 380460228 /nfs/dbraw/zinc/46/02/28/380460228.db2.gz NOVFQFRHBJZUQY-UHFFFAOYSA-N 2 1 272.367 3.192 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000414866942 380465566 /nfs/dbraw/zinc/46/55/66/380465566.db2.gz HYRYUWKPIINJHH-DLBZAZTESA-N 2 1 260.425 3.220 20 0 CGADMP C[C@H](CF)[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000288406676 197069940 /nfs/dbraw/zinc/06/99/40/197069940.db2.gz IMCDYBKKBAQHRN-CQSZACIVSA-N 2 1 266.404 3.092 20 0 CGADMP C[C@H](CF)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000288406676 197069942 /nfs/dbraw/zinc/06/99/42/197069942.db2.gz IMCDYBKKBAQHRN-CQSZACIVSA-N 2 1 266.404 3.092 20 0 CGADMP C[C@H](CF)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000288406676 197069944 /nfs/dbraw/zinc/06/99/44/197069944.db2.gz IMCDYBKKBAQHRN-CQSZACIVSA-N 2 1 266.404 3.092 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000414894940 380478199 /nfs/dbraw/zinc/47/81/99/380478199.db2.gz MBXGZZMPHFNTTP-LBPRGKRZSA-N 2 1 292.732 3.186 20 0 CGADMP c1cc(-c2ccccc2)oc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901288 380482377 /nfs/dbraw/zinc/48/23/77/380482377.db2.gz FZFWBZKGZCLNTJ-OAHLLOKOSA-N 2 1 270.376 3.178 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417301927 380588337 /nfs/dbraw/zinc/58/83/37/380588337.db2.gz AWEQRHSCZVBIHM-APIJFGDWSA-N 2 1 278.465 3.172 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1COC(C)(C)C1 ZINC000417956581 380687786 /nfs/dbraw/zinc/68/77/86/380687786.db2.gz ATMGNWLAIIFOQA-QGZVFWFLSA-N 2 1 290.451 3.184 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)[C@H](C)C1 ZINC000645503494 380694504 /nfs/dbraw/zinc/69/45/04/380694504.db2.gz MMKNNIKVSGKMKQ-HIFRSBDPSA-N 2 1 252.446 3.133 20 0 CGADMP CCSCC[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000355740597 380765619 /nfs/dbraw/zinc/76/56/19/380765619.db2.gz CYJSSEDAPNIASI-AWEZNQCLSA-N 2 1 272.502 3.230 20 0 CGADMP CCSCC[NH2+]CC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000355740597 380765622 /nfs/dbraw/zinc/76/56/22/380765622.db2.gz CYJSSEDAPNIASI-AWEZNQCLSA-N 2 1 272.502 3.230 20 0 CGADMP C1C([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC12CCCCC2 ZINC000421332836 380876795 /nfs/dbraw/zinc/87/67/95/380876795.db2.gz MJARYOCEERMDLX-JKSUJKDBSA-N 2 1 262.441 3.316 20 0 CGADMP C1C([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC12CCCCC2 ZINC000421332836 380876806 /nfs/dbraw/zinc/87/68/06/380876806.db2.gz MJARYOCEERMDLX-JKSUJKDBSA-N 2 1 262.441 3.316 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000420326776 380847765 /nfs/dbraw/zinc/84/77/65/380847765.db2.gz XQMAIZNVKSHAJV-CJNGLKHVSA-N 2 1 288.435 3.000 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332123 380848439 /nfs/dbraw/zinc/84/84/39/380848439.db2.gz RIFMUUMRVMXXPG-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399342 380852334 /nfs/dbraw/zinc/85/23/34/380852334.db2.gz NXXBKCCLAXJBML-CHWSQXEVSA-N 2 1 278.362 3.183 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000356864303 380909743 /nfs/dbraw/zinc/90/97/43/380909743.db2.gz KQYDWDQUGJRMFT-UONOGXRCSA-N 2 1 286.423 3.136 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC000356980283 380968807 /nfs/dbraw/zinc/96/88/07/380968807.db2.gz PLLWBTIIODDKOQ-OAHLLOKOSA-N 2 1 293.455 3.488 20 0 CGADMP C[N@@H+](CCC1CC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000357046231 381011018 /nfs/dbraw/zinc/01/10/18/381011018.db2.gz UPLHDAVMYBRDBE-UHFFFAOYSA-N 2 1 287.451 3.420 20 0 CGADMP Cc1c[nH+]ccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000359369005 381346228 /nfs/dbraw/zinc/34/62/28/381346228.db2.gz HKTRFCNVJYWCBS-YVMONPNESA-N 2 1 293.414 3.225 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000360981343 381641269 /nfs/dbraw/zinc/64/12/69/381641269.db2.gz KCLRYCUCXAOTAJ-JQHSSLGASA-N 2 1 272.436 3.082 20 0 CGADMP CC[C@H](C[NH2+]C1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC000362927531 382152558 /nfs/dbraw/zinc/15/25/58/382152558.db2.gz IMUOKAQXCXUGBU-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C1CCCC1 ZINC000365065434 382280313 /nfs/dbraw/zinc/28/03/13/382280313.db2.gz QWUOOUOSMQHCEV-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C1CCCC1 ZINC000365065434 382280319 /nfs/dbraw/zinc/28/03/19/382280319.db2.gz QWUOOUOSMQHCEV-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364187539 382264211 /nfs/dbraw/zinc/26/42/11/382264211.db2.gz BQDHHQLAHMOTEY-AVGNSLFASA-N 2 1 280.437 3.034 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364187539 382264216 /nfs/dbraw/zinc/26/42/16/382264216.db2.gz BQDHHQLAHMOTEY-AVGNSLFASA-N 2 1 280.437 3.034 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000245586806 542322235 /nfs/dbraw/zinc/32/22/35/542322235.db2.gz MRMZYQXXGDSNML-OLZOCXBDSA-N 2 1 281.469 3.367 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000245586806 542322239 /nfs/dbraw/zinc/32/22/39/542322239.db2.gz MRMZYQXXGDSNML-OLZOCXBDSA-N 2 1 281.469 3.367 20 0 CGADMP CSCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367617714 382352214 /nfs/dbraw/zinc/35/22/14/382352214.db2.gz RDFYHKACJDCMIC-OAGGEKHMSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000251722033 542347232 /nfs/dbraw/zinc/34/72/32/542347232.db2.gz KAEZTXTXOYKGNC-OAGGEKHMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252107719 542348608 /nfs/dbraw/zinc/34/86/08/542348608.db2.gz HHEDRHHRIHYLEY-FXUDXRNXSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252107719 542348610 /nfs/dbraw/zinc/34/86/10/542348610.db2.gz HHEDRHHRIHYLEY-FXUDXRNXSA-N 2 1 250.430 3.172 20 0 CGADMP C(=C\C[N@H+]1CCC2(CCC2)C1)\C[NH+]1CCC2(CCC2)C1 ZINC000255639623 542353462 /nfs/dbraw/zinc/35/34/62/542353462.db2.gz HJTOBFQDIRPIMX-UPHRSURJSA-N 2 1 274.452 3.295 20 0 CGADMP COc1ccccc1[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000423319679 532980936 /nfs/dbraw/zinc/98/09/36/532980936.db2.gz LWQLUBZPXKBHSL-AEFFLSMTSA-N 2 1 288.435 3.253 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000280880490 195014050 /nfs/dbraw/zinc/01/40/50/195014050.db2.gz PCRKTASPYFIKEP-PEZLKRJXSA-N 2 1 272.436 3.251 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@H](C)[NH3+])CC1 ZINC000335357939 208268112 /nfs/dbraw/zinc/26/81/12/208268112.db2.gz FMCZWMOTKPIWOO-ZDUSSCGKSA-N 2 1 269.392 3.107 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000353743417 220291180 /nfs/dbraw/zinc/29/11/80/220291180.db2.gz BTPYDULQQVZBMA-DNVCBOLYSA-N 2 1 286.463 3.480 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000353743417 220291185 /nfs/dbraw/zinc/29/11/85/220291185.db2.gz BTPYDULQQVZBMA-DNVCBOLYSA-N 2 1 286.463 3.480 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000353743417 220291192 /nfs/dbraw/zinc/29/11/92/220291192.db2.gz BTPYDULQQVZBMA-DNVCBOLYSA-N 2 1 286.463 3.480 20 0 CGADMP CCC1CCC([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000353747495 220300800 /nfs/dbraw/zinc/30/08/00/220300800.db2.gz AZIUWPNOQDHUJG-UHFFFAOYSA-N 2 1 261.413 3.206 20 0 CGADMP FC1(F)CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000309917063 542427207 /nfs/dbraw/zinc/42/72/07/542427207.db2.gz OTSUHJRYXSXEOE-INIZCTEOSA-N 2 1 294.389 3.428 20 0 CGADMP Clc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068415 542486201 /nfs/dbraw/zinc/48/62/01/542486201.db2.gz PJPJBJRBCURSBE-CVEARBPZSA-N 2 1 278.827 3.099 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000281671112 195329693 /nfs/dbraw/zinc/32/96/93/195329693.db2.gz LOLLMQLSPOIGTF-LBPRGKRZSA-N 2 1 275.421 3.264 20 0 CGADMP COC[C@]1(C[NH2+][C@@H](C)c2cccc3ccccc32)CCC[NH2+]1 ZINC000423439704 533237578 /nfs/dbraw/zinc/23/75/78/533237578.db2.gz VKDOUNJJFZWDSE-HNAYVOBHSA-N 2 1 298.430 3.259 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])ccc2c1 ZINC000423437106 533338086 /nfs/dbraw/zinc/33/80/86/533338086.db2.gz FYFZNEBWJWJZKW-UPJWGTAASA-N 2 1 272.392 3.235 20 0 CGADMP CSC1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000365671114 533479890 /nfs/dbraw/zinc/47/98/90/533479890.db2.gz FXYYSDZGHFZGAE-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP COc1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1Cl ZINC000412048716 533538916 /nfs/dbraw/zinc/53/89/16/533538916.db2.gz XHVAFYMLDLWMFR-CQSZACIVSA-N 2 1 296.842 3.265 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1Cl ZINC000412048716 533538920 /nfs/dbraw/zinc/53/89/20/533538920.db2.gz XHVAFYMLDLWMFR-CQSZACIVSA-N 2 1 296.842 3.265 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000412048716 533538923 /nfs/dbraw/zinc/53/89/23/533538923.db2.gz XHVAFYMLDLWMFR-CQSZACIVSA-N 2 1 296.842 3.265 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1Cl ZINC000412048716 533538925 /nfs/dbraw/zinc/53/89/25/533538925.db2.gz XHVAFYMLDLWMFR-CQSZACIVSA-N 2 1 296.842 3.265 20 0 CGADMP CSCC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189956030 130044327 /nfs/dbraw/zinc/04/43/27/130044327.db2.gz JCWFGXNAVSSXCO-FKEKPDDDSA-N 2 1 292.492 3.096 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC000385231673 542602619 /nfs/dbraw/zinc/60/26/19/542602619.db2.gz HIRIWMYLFRGUFG-HOTGVXAUSA-N 2 1 250.430 3.018 20 0 CGADMP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000391177299 542612424 /nfs/dbraw/zinc/61/24/24/542612424.db2.gz NYUPDJRHPQVZHA-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1C=CCCC1 ZINC000191508717 130247314 /nfs/dbraw/zinc/24/73/14/130247314.db2.gz VJYHRZURKAKJMW-HNNXBMFYSA-N 2 1 261.413 3.266 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1C=CCCC1 ZINC000191508717 130247316 /nfs/dbraw/zinc/24/73/16/130247316.db2.gz VJYHRZURKAKJMW-HNNXBMFYSA-N 2 1 261.413 3.266 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411295283 542629518 /nfs/dbraw/zinc/62/95/18/542629518.db2.gz DSCKPLUERCEIHH-BHIYHBOVSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411295283 542629520 /nfs/dbraw/zinc/62/95/20/542629520.db2.gz DSCKPLUERCEIHH-BHIYHBOVSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411295283 542629522 /nfs/dbraw/zinc/62/95/22/542629522.db2.gz DSCKPLUERCEIHH-BHIYHBOVSA-N 2 1 284.447 3.206 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000414930057 542640352 /nfs/dbraw/zinc/64/03/52/542640352.db2.gz SJBYIPIRJWVOTK-RYUDHWBXSA-N 2 1 293.461 3.231 20 0 CGADMP Fc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1F ZINC000047970162 391993104 /nfs/dbraw/zinc/99/31/04/391993104.db2.gz XHKFMYAPZARYCU-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)C[C@@H]1c1ccccc1 ZINC000417346432 542644587 /nfs/dbraw/zinc/64/45/87/542644587.db2.gz ZKTVVCMTFVZXDC-YESZJQIVSA-N 2 1 270.420 3.212 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)C[C@@H]1c1ccccc1 ZINC000417346432 542644592 /nfs/dbraw/zinc/64/45/92/542644592.db2.gz ZKTVVCMTFVZXDC-YESZJQIVSA-N 2 1 270.420 3.212 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000106868333 392311047 /nfs/dbraw/zinc/31/10/47/392311047.db2.gz VLBJEEBTNZNTEA-HYVNUMGLSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@@H](CC[N@@H+](C)CCC1CC1)[NH+](C)CCC1CC1 ZINC000441224981 542664986 /nfs/dbraw/zinc/66/49/86/542664986.db2.gz GBPUJTXAHAQIPK-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+](C)CCC1CC1)[N@H+](C)CCC1CC1 ZINC000441224981 542664989 /nfs/dbraw/zinc/66/49/89/542664989.db2.gz GBPUJTXAHAQIPK-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+](C)CCC1CC1)[N@@H+](C)CCC1CC1 ZINC000441224981 542664993 /nfs/dbraw/zinc/66/49/93/542664993.db2.gz GBPUJTXAHAQIPK-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246825921 131098399 /nfs/dbraw/zinc/09/83/99/131098399.db2.gz AVLUKLVFLYIXOH-YFHUEUNASA-N 2 1 290.451 3.081 20 0 CGADMP CCCC[C@@H](CC)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000437783695 542660880 /nfs/dbraw/zinc/66/08/80/542660880.db2.gz IURHBTXWSULCEJ-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000261964191 131180052 /nfs/dbraw/zinc/18/00/52/131180052.db2.gz AMMATVGEELCMHO-IOASZLSFSA-N 2 1 287.407 3.334 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc(C)c1 ZINC000286091547 392374171 /nfs/dbraw/zinc/37/41/71/392374171.db2.gz MTOAVAWYDCBWLP-SFHVURJKSA-N 2 1 290.451 3.147 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000109787765 392374531 /nfs/dbraw/zinc/37/45/31/392374531.db2.gz UGGZBPHHYUOAJA-UHFFFAOYSA-N 2 1 294.414 3.141 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000109787765 392374533 /nfs/dbraw/zinc/37/45/33/392374533.db2.gz UGGZBPHHYUOAJA-UHFFFAOYSA-N 2 1 294.414 3.141 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453108446 542679571 /nfs/dbraw/zinc/67/95/71/542679571.db2.gz NUCCNLXLRZZUMN-HOTGVXAUSA-N 2 1 277.456 3.113 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124038751 392432387 /nfs/dbraw/zinc/43/23/87/392432387.db2.gz FYEOYUKYKPEYBO-JQHSSLGASA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000124038751 392432391 /nfs/dbraw/zinc/43/23/91/392432391.db2.gz FYEOYUKYKPEYBO-JQHSSLGASA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000124038751 392432392 /nfs/dbraw/zinc/43/23/92/392432392.db2.gz FYEOYUKYKPEYBO-JQHSSLGASA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC12CCOCC2 ZINC000367058294 392463451 /nfs/dbraw/zinc/46/34/51/392463451.db2.gz RVLRXSJFZOGRQP-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000162223742 392592889 /nfs/dbraw/zinc/59/28/89/392592889.db2.gz OBWJSLZCSIEFBN-HOTGVXAUSA-N 2 1 293.480 3.332 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000162223742 392592894 /nfs/dbraw/zinc/59/28/94/392592894.db2.gz OBWJSLZCSIEFBN-HOTGVXAUSA-N 2 1 293.480 3.332 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1 ZINC000163232393 392603055 /nfs/dbraw/zinc/60/30/55/392603055.db2.gz QYMFFOJYHJNZSI-YOEHRIQHSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000178959812 392685261 /nfs/dbraw/zinc/68/52/61/392685261.db2.gz AJAFSJVBZXTZJQ-QGPMSJSTSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000178959812 392685270 /nfs/dbraw/zinc/68/52/70/392685270.db2.gz AJAFSJVBZXTZJQ-QGPMSJSTSA-N 2 1 272.436 3.445 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000647288852 392638465 /nfs/dbraw/zinc/63/84/65/392638465.db2.gz RHRFJYBIZPBAGA-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000306584167 392640921 /nfs/dbraw/zinc/64/09/21/392640921.db2.gz QAZCUHOJHTYWRC-WBVHZDCISA-N 2 1 281.403 3.465 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000372992008 392653385 /nfs/dbraw/zinc/65/33/85/392653385.db2.gz HRLSHMFOIWXXSL-GOEBONIOSA-N 2 1 276.424 3.172 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343353 392692292 /nfs/dbraw/zinc/69/22/92/392692292.db2.gz MUDUEAAQUAJWMX-AHCXZYCDSA-N 2 1 274.452 3.356 20 0 CGADMP CC1(C)CCC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482409 392736713 /nfs/dbraw/zinc/73/67/13/392736713.db2.gz CTNSOSWFXAVFGF-CQSZACIVSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CCC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482521 392737296 /nfs/dbraw/zinc/73/72/96/392737296.db2.gz MAWBGXQRYPUDKG-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000647497767 392740812 /nfs/dbraw/zinc/74/08/12/392740812.db2.gz UEESPMZTYAJETG-ZBFHGGJFSA-N 2 1 278.465 3.358 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(C)c3ncccc3c2)CC[C@H]1[NH3+] ZINC000647497307 392740854 /nfs/dbraw/zinc/74/08/54/392740854.db2.gz CKKFORRXLYIRHP-DOTOQJQBSA-N 2 1 283.419 3.102 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647553034 392765805 /nfs/dbraw/zinc/76/58/05/392765805.db2.gz SMAXBJHIEUYZCN-OAHLLOKOSA-N 2 1 264.388 3.168 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2cccc(C)c2)C1 ZINC000181135833 392721747 /nfs/dbraw/zinc/72/17/47/392721747.db2.gz ZMTOVEWYWDNSGR-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000375887798 392837738 /nfs/dbraw/zinc/83/77/38/392837738.db2.gz JNEYITXWCRDUKC-RRFJBIMHSA-N 2 1 264.438 3.019 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000375705404 392807463 /nfs/dbraw/zinc/80/74/63/392807463.db2.gz QCHOKQUGFFAVQR-WCIQWLHISA-N 2 1 298.474 3.329 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000647874631 392820297 /nfs/dbraw/zinc/82/02/97/392820297.db2.gz IFKFNHKKLKWNKN-OAHLLOKOSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1C ZINC000647881218 392823492 /nfs/dbraw/zinc/82/34/92/392823492.db2.gz VIILFGNLIMDDHC-DOTOQJQBSA-N 2 1 258.409 3.050 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000647890819 392828832 /nfs/dbraw/zinc/82/88/32/392828832.db2.gz YZHIJKTUTONOIA-JFIYKMOQSA-N 2 1 272.436 3.112 20 0 CGADMP CC[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1[NH3+] ZINC000381011749 392905927 /nfs/dbraw/zinc/90/59/27/392905927.db2.gz MBQIWYOSDHFNNQ-GJZGRUSLSA-N 2 1 252.446 3.262 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381500831 392909016 /nfs/dbraw/zinc/90/90/16/392909016.db2.gz JDLIITIGFKIPSN-OHYMQKJLSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC2CCC1CC2 ZINC000381831573 392915604 /nfs/dbraw/zinc/91/56/04/392915604.db2.gz GGQALNKVQNGNMZ-MFYFJRRASA-N 2 1 276.468 3.418 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000647997427 392860508 /nfs/dbraw/zinc/86/05/08/392860508.db2.gz CAFZLOKRLKXNFW-KRWDZBQOSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000392218075 392929412 /nfs/dbraw/zinc/92/94/12/392929412.db2.gz WPTYEJLICPVNGN-HNNXBMFYSA-N 2 1 250.430 3.197 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000394571538 392938522 /nfs/dbraw/zinc/93/85/22/392938522.db2.gz PEXWXWJZSBZFJA-VPEURPPWSA-N 2 1 264.457 3.418 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000525869797 542740557 /nfs/dbraw/zinc/74/05/57/542740557.db2.gz YONDZOLVGXMPRT-UONOGXRCSA-N 2 1 266.404 3.249 20 0 CGADMP CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc2nccn21 ZINC000195199289 392960901 /nfs/dbraw/zinc/96/09/01/392960901.db2.gz APPKTAPRUSHVAO-KRWDZBQOSA-N 2 1 287.407 3.115 20 0 CGADMP CCOCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340190484 392966094 /nfs/dbraw/zinc/96/60/94/392966094.db2.gz HBHUAAKOFZYIRY-ROUUACIJSA-N 2 1 290.451 3.228 20 0 CGADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340190484 392966101 /nfs/dbraw/zinc/96/61/01/392966101.db2.gz HBHUAAKOFZYIRY-ROUUACIJSA-N 2 1 290.451 3.228 20 0 CGADMP CCOCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340190486 392966273 /nfs/dbraw/zinc/96/62/73/392966273.db2.gz HBHUAAKOFZYIRY-ZWKOTPCHSA-N 2 1 290.451 3.228 20 0 CGADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340190486 392966280 /nfs/dbraw/zinc/96/62/80/392966280.db2.gz HBHUAAKOFZYIRY-ZWKOTPCHSA-N 2 1 290.451 3.228 20 0 CGADMP CC[C@@H]1Cc2ccccc2C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000342353703 392999862 /nfs/dbraw/zinc/99/98/62/392999862.db2.gz DZCVCIXIEVWOCL-MSOLQXFVSA-N 2 1 272.436 3.308 20 0 CGADMP CC[C@@H]1Cc2ccccc2C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000342353703 392999867 /nfs/dbraw/zinc/99/98/67/392999867.db2.gz DZCVCIXIEVWOCL-MSOLQXFVSA-N 2 1 272.436 3.308 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648403553 392999992 /nfs/dbraw/zinc/99/99/92/392999992.db2.gz OBUSCCARZOHCAO-GOSISDBHSA-N 2 1 272.436 3.008 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](CC)CC)CCO1 ZINC000648416086 393006327 /nfs/dbraw/zinc/00/63/27/393006327.db2.gz NTIKDABHUGMVCI-BRWVUGGUSA-N 2 1 284.488 3.290 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000648433220 393013675 /nfs/dbraw/zinc/01/36/75/393013675.db2.gz MQMKQKKFVRHDGN-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000648433220 393013678 /nfs/dbraw/zinc/01/36/78/393013678.db2.gz MQMKQKKFVRHDGN-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648433226 393013985 /nfs/dbraw/zinc/01/39/85/393013985.db2.gz MTLRCDFJRMJAMJ-LPHOPBHVSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000227200443 393015879 /nfs/dbraw/zinc/01/58/79/393015879.db2.gz JQWQPTAFXDZHDK-GVXVVHGQSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000227200443 393015887 /nfs/dbraw/zinc/01/58/87/393015887.db2.gz JQWQPTAFXDZHDK-GVXVVHGQSA-N 2 1 297.240 3.179 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000545949847 393019150 /nfs/dbraw/zinc/01/91/50/393019150.db2.gz WVSCQRZMXKLXDG-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415017648 393098524 /nfs/dbraw/zinc/09/85/24/393098524.db2.gz QISREIXJMUEUND-UONOGXRCSA-N 2 1 284.403 3.188 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346994614 393098516 /nfs/dbraw/zinc/09/85/16/393098516.db2.gz UPJAPCDNUCGRGC-KEYYUXOJSA-N 2 1 276.399 3.208 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000414654624 393050187 /nfs/dbraw/zinc/05/01/87/393050187.db2.gz GHUUIQXYSQWGED-BGTYHANMSA-N 2 1 272.436 3.166 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415035664 393107007 /nfs/dbraw/zinc/10/70/07/393107007.db2.gz FAQSBRDCUUDPGF-WMLDXEAASA-N 2 1 276.399 3.098 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1c1ccccc1 ZINC000546626619 393062414 /nfs/dbraw/zinc/06/24/14/393062414.db2.gz YFVGLUWNMAKCSX-WTNVTLLGSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H]1c1ccccc1 ZINC000546626619 393062416 /nfs/dbraw/zinc/06/24/16/393062416.db2.gz YFVGLUWNMAKCSX-WTNVTLLGSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[NH2+]1 ZINC000414961425 393066407 /nfs/dbraw/zinc/06/64/07/393066407.db2.gz ZBGXVHQTKGOBJK-MNOVXSKESA-N 2 1 293.461 3.102 20 0 CGADMP CCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246960448 393067882 /nfs/dbraw/zinc/06/78/82/393067882.db2.gz UXOLYCVQZQQPIM-GOEBONIOSA-N 2 1 250.430 3.125 20 0 CGADMP CCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246960448 393067891 /nfs/dbraw/zinc/06/78/91/393067891.db2.gz UXOLYCVQZQQPIM-GOEBONIOSA-N 2 1 250.430 3.125 20 0 CGADMP CCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246960448 393067899 /nfs/dbraw/zinc/06/78/99/393067899.db2.gz UXOLYCVQZQQPIM-GOEBONIOSA-N 2 1 250.430 3.125 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000415054262 393116606 /nfs/dbraw/zinc/11/66/06/393116606.db2.gz PQEFFSABCQCKHH-FFZOFVMBSA-N 2 1 294.442 3.210 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251190512 393117286 /nfs/dbraw/zinc/11/72/86/393117286.db2.gz SMVZLGNVZAKXRW-ILXRZTDVSA-N 2 1 250.430 3.172 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057372 393119355 /nfs/dbraw/zinc/11/93/55/393119355.db2.gz UAMOVTRFYOFTPX-RPPGEJNMSA-N 2 1 270.420 3.164 20 0 CGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1SC ZINC000415068199 393126266 /nfs/dbraw/zinc/12/62/66/393126266.db2.gz QOKWJYRMOVSAEQ-CQSZACIVSA-N 2 1 294.464 3.024 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C1CCCC1 ZINC000415073633 393129638 /nfs/dbraw/zinc/12/96/38/393129638.db2.gz ZQJYYWXNHWIPAX-NSHDSACASA-N 2 1 292.370 3.374 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+]CCOc1ccc2ccccc2c1 ZINC000415079486 393133611 /nfs/dbraw/zinc/13/36/11/393133611.db2.gz HUWXISNGIXTKFC-QGZVFWFLSA-N 2 1 286.419 3.182 20 0 CGADMP Fc1ccccc1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415081873 393134742 /nfs/dbraw/zinc/13/47/42/393134742.db2.gz CNGATTXTPYCQGP-IEBWSBKVSA-N 2 1 298.405 3.451 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+]CCOc1cccc2ccccc21 ZINC000415082249 393136538 /nfs/dbraw/zinc/13/65/38/393136538.db2.gz CXQSVUHCCPVNQX-MRXNPFEDSA-N 2 1 286.419 3.182 20 0 CGADMP CCc1noc(CC)c1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415089322 393140344 /nfs/dbraw/zinc/14/03/44/393140344.db2.gz WERJUXULMKKQPE-UONOGXRCSA-N 2 1 293.455 3.200 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000261659631 393141506 /nfs/dbraw/zinc/14/15/06/393141506.db2.gz ZARAXXIRGJJIIG-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000415094170 393142536 /nfs/dbraw/zinc/14/25/36/393142536.db2.gz WYEAOLZKANPASO-MAUKXSAKSA-N 2 1 280.415 3.159 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000415115108 393149243 /nfs/dbraw/zinc/14/92/43/393149243.db2.gz UECRTFNEZXSNTL-NJAFHUGGSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468550771 393151150 /nfs/dbraw/zinc/15/11/50/393151150.db2.gz AXQCTCNOTLPZFV-CPUCHLNUSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468550771 393151157 /nfs/dbraw/zinc/15/11/57/393151157.db2.gz AXQCTCNOTLPZFV-CPUCHLNUSA-N 2 1 278.415 3.219 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415127370 393152607 /nfs/dbraw/zinc/15/26/07/393152607.db2.gz MUUKQKLDFFRNAR-WMLDXEAASA-N 2 1 260.425 3.056 20 0 CGADMP c1ccc([C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CC23CCC3)cc1 ZINC000415130164 393153392 /nfs/dbraw/zinc/15/33/92/393153392.db2.gz WDEVNZCADLHOLN-AEFFLSMTSA-N 2 1 284.447 3.256 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415138757 393156336 /nfs/dbraw/zinc/15/63/36/393156336.db2.gz ZCVHZQXCSZJLCC-DZGCQCFKSA-N 2 1 278.465 3.215 20 0 CGADMP COC[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353631293 393228277 /nfs/dbraw/zinc/22/82/77/393228277.db2.gz KZSKFELUPQJIAT-ZLPCBKJTSA-N 2 1 290.451 3.054 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4cnccc43)C2)C1 ZINC000646243297 393246215 /nfs/dbraw/zinc/24/62/15/393246215.db2.gz YIXVSRJAEOMYST-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4cnccc43)C2)C1 ZINC000646243297 393246222 /nfs/dbraw/zinc/24/62/22/393246222.db2.gz YIXVSRJAEOMYST-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4cnccc43)C2)C1 ZINC000646243297 393246227 /nfs/dbraw/zinc/24/62/27/393246227.db2.gz YIXVSRJAEOMYST-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c2cc(F)ccc2[nH+]1 ZINC000352090398 393199413 /nfs/dbraw/zinc/19/94/13/393199413.db2.gz ZMLPEPNCGBLEAS-ACJLOTCBSA-N 2 1 299.393 3.213 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)c1ccccc1 ZINC000271855851 393255235 /nfs/dbraw/zinc/25/52/35/393255235.db2.gz JJNQHTFRYYWMRB-HNNXBMFYSA-N 2 1 272.436 3.204 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC000469613153 393203592 /nfs/dbraw/zinc/20/35/92/393203592.db2.gz JBLKCSMDGJFZCZ-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCc1cccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC000469613153 393203597 /nfs/dbraw/zinc/20/35/97/393203597.db2.gz JBLKCSMDGJFZCZ-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000469729051 393210184 /nfs/dbraw/zinc/21/01/84/393210184.db2.gz NWTVHJCSOGILNX-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000469729051 393210192 /nfs/dbraw/zinc/21/01/92/393210192.db2.gz NWTVHJCSOGILNX-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000469729051 393210201 /nfs/dbraw/zinc/21/02/01/393210201.db2.gz NWTVHJCSOGILNX-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCSc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000274450006 393284596 /nfs/dbraw/zinc/28/45/96/393284596.db2.gz QPBFYTASUSZRAG-UHFFFAOYSA-N 2 1 276.449 3.150 20 0 CGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278922453 393328652 /nfs/dbraw/zinc/32/86/52/393328652.db2.gz IDDIMSYEEPLUSB-DYVFJYSZSA-N 2 1 299.393 3.252 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000474809566 393350234 /nfs/dbraw/zinc/35/02/34/393350234.db2.gz MKCOQVOLZFCNEX-WMLDXEAASA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000474809566 393350236 /nfs/dbraw/zinc/35/02/36/393350236.db2.gz MKCOQVOLZFCNEX-WMLDXEAASA-N 2 1 264.457 3.419 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000474822035 393351460 /nfs/dbraw/zinc/35/14/60/393351460.db2.gz NPYGTTYDUBKNBB-PNBKFKSVSA-N 2 1 290.451 3.260 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000474822035 393351468 /nfs/dbraw/zinc/35/14/68/393351468.db2.gz NPYGTTYDUBKNBB-PNBKFKSVSA-N 2 1 290.451 3.260 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCC1 ZINC000281862793 393360021 /nfs/dbraw/zinc/36/00/21/393360021.db2.gz DOOIDCMSZXYPEJ-CABCVRRESA-N 2 1 297.446 3.099 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647179574 393373223 /nfs/dbraw/zinc/37/32/23/393373223.db2.gz FLSCRUVIQRUGPK-CYBMUJFWSA-N 2 1 274.399 3.274 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000475112082 393373950 /nfs/dbraw/zinc/37/39/50/393373950.db2.gz RXZQHSQJUMRVSP-ZDUSSCGKSA-N 2 1 280.843 3.286 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000475112082 393373958 /nfs/dbraw/zinc/37/39/58/393373958.db2.gz RXZQHSQJUMRVSP-ZDUSSCGKSA-N 2 1 280.843 3.286 20 0 CGADMP c1ccc2oc([C@@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411585 393415240 /nfs/dbraw/zinc/41/52/40/393415240.db2.gz IVVHZELUJOABBZ-LSDHHAIUSA-N 2 1 299.418 3.007 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420380999 393480912 /nfs/dbraw/zinc/48/09/12/393480912.db2.gz ROOCRCZHNISRGJ-RDJZCZTQSA-N 2 1 258.409 3.132 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420294970 393451721 /nfs/dbraw/zinc/45/17/21/393451721.db2.gz BPYDPXBDOIZRNU-NVXWUHKLSA-N 2 1 260.425 3.315 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294561 393452007 /nfs/dbraw/zinc/45/20/07/393452007.db2.gz BDYNCKXVEGKXCX-RDJZCZTQSA-N 2 1 288.435 3.222 20 0 CGADMP CCC[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296370 393452875 /nfs/dbraw/zinc/45/28/75/393452875.db2.gz DKJGAHKRCCREDS-WBVHZDCISA-N 2 1 290.451 3.250 20 0 CGADMP CC[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420298170 393453174 /nfs/dbraw/zinc/45/31/74/393453174.db2.gz GYBZYBFIZGANBL-DOTOQJQBSA-N 2 1 290.451 3.250 20 0 CGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000420296389 393453783 /nfs/dbraw/zinc/45/37/83/393453783.db2.gz BSWNVNFHHYFGOE-OAHLLOKOSA-N 2 1 252.446 3.278 20 0 CGADMP c1csc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420296849 393454047 /nfs/dbraw/zinc/45/40/47/393454047.db2.gz CDPLILWVVVGRMI-ZIAGYGMSSA-N 2 1 264.438 3.275 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)s1 ZINC000420308996 393459483 /nfs/dbraw/zinc/45/94/83/393459483.db2.gz SSOUUGURHNGRPT-ZIAGYGMSSA-N 2 1 264.438 3.193 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2C(C)(C)C)cc1 ZINC000420312746 393461566 /nfs/dbraw/zinc/46/15/66/393461566.db2.gz XDAQMIKSKIAYNQ-RDJZCZTQSA-N 2 1 290.451 3.248 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328665 393467918 /nfs/dbraw/zinc/46/79/18/393467918.db2.gz MRPZCTATSDNPPI-OKZBNKHCSA-N 2 1 272.436 3.459 20 0 CGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1 ZINC000420328406 393468729 /nfs/dbraw/zinc/46/87/29/393468729.db2.gz ZILSWORTRRQBLZ-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc2ccccc21 ZINC000420356311 393473305 /nfs/dbraw/zinc/47/33/05/393473305.db2.gz GBITXMBOUCJFLQ-MRXNPFEDSA-N 2 1 256.393 3.303 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000429554378 393476592 /nfs/dbraw/zinc/47/65/92/393476592.db2.gz JEVLBPZRVNJUDV-LPHOPBHVSA-N 2 1 286.463 3.208 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000420375482 393478576 /nfs/dbraw/zinc/47/85/76/393478576.db2.gz PMLGXNWXXYXJDJ-YGRLFVJLSA-N 2 1 297.240 3.227 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000420407564 393484637 /nfs/dbraw/zinc/48/46/37/393484637.db2.gz OLKCOCDPGMNUMD-GHMZBOCLSA-N 2 1 270.779 3.129 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cccc(C)c2C1 ZINC000429588673 393490984 /nfs/dbraw/zinc/49/09/84/393490984.db2.gz LOZHUGZEMJRRTN-UHFFFAOYSA-N 2 1 283.419 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cccc(C)c2C1 ZINC000429588673 393490992 /nfs/dbraw/zinc/49/09/92/393490992.db2.gz LOZHUGZEMJRRTN-UHFFFAOYSA-N 2 1 283.419 3.338 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000356886039 393504435 /nfs/dbraw/zinc/50/44/35/393504435.db2.gz XJMSEIDWTXCKIP-MHORFTMASA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000488428895 393509735 /nfs/dbraw/zinc/50/97/35/393509735.db2.gz ZSKMEDNCVUNGCE-DZGCQCFKSA-N 2 1 282.497 3.123 20 0 CGADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000374293275 285554158 /nfs/dbraw/zinc/55/41/58/285554158.db2.gz IEUQTSIJHZOAMN-CRAIPNDOSA-N 2 1 299.462 3.324 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430559026 393574005 /nfs/dbraw/zinc/57/40/05/393574005.db2.gz WSKMVRHYGNNHME-XHBSWPGZSA-N 2 1 282.378 3.475 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430559026 393574009 /nfs/dbraw/zinc/57/40/09/393574009.db2.gz WSKMVRHYGNNHME-XHBSWPGZSA-N 2 1 282.378 3.475 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@@](C)(C[NH3+])C(C)C)cc1C ZINC000430564974 393576290 /nfs/dbraw/zinc/57/62/90/393576290.db2.gz NXYZHBXJCVQYMA-KRWDZBQOSA-N 2 1 278.440 3.035 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000430572199 393576815 /nfs/dbraw/zinc/57/68/15/393576815.db2.gz NPJXBVHXALHSRA-NVXWUHKLSA-N 2 1 298.430 3.278 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000666801089 542817197 /nfs/dbraw/zinc/81/71/97/542817197.db2.gz OVZOBCPKUUZFLX-DOTOQJQBSA-N 2 1 288.435 3.050 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000666825437 542818493 /nfs/dbraw/zinc/81/84/93/542818493.db2.gz DGOUWAJAOSKADZ-ZETCQYMHSA-N 2 1 281.614 3.331 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000360835566 393594727 /nfs/dbraw/zinc/59/47/27/393594727.db2.gz KSMCMGQRMLMJJV-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000360835566 393594730 /nfs/dbraw/zinc/59/47/30/393594730.db2.gz KSMCMGQRMLMJJV-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000432368291 393606915 /nfs/dbraw/zinc/60/69/15/393606915.db2.gz PKDQGVUBNODTLP-KSZLIROESA-N 2 1 296.499 3.293 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCSc2ccc(C)c(C)c2)C1 ZINC000430609297 393581100 /nfs/dbraw/zinc/58/11/00/393581100.db2.gz HFILTVVJIAAFAC-INIZCTEOSA-N 2 1 292.492 3.327 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCCO1 ZINC000432416120 393611834 /nfs/dbraw/zinc/61/18/34/393611834.db2.gz FWDWJQXADNJYIB-NJAFHUGGSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCCO1 ZINC000432416120 393611839 /nfs/dbraw/zinc/61/18/39/393611839.db2.gz FWDWJQXADNJYIB-NJAFHUGGSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000361016631 393643134 /nfs/dbraw/zinc/64/31/34/393643134.db2.gz BUJFVAZSPXUAHE-OAHLLOKOSA-N 2 1 299.418 3.255 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000361016631 393643138 /nfs/dbraw/zinc/64/31/38/393643138.db2.gz BUJFVAZSPXUAHE-OAHLLOKOSA-N 2 1 299.418 3.255 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423259372 393656185 /nfs/dbraw/zinc/65/61/85/393656185.db2.gz DPDNKKDVSYVPCA-ZBFHGGJFSA-N 2 1 278.440 3.498 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)s1 ZINC000423267571 393657833 /nfs/dbraw/zinc/65/78/33/393657833.db2.gz UAJHZXQFFDEOMC-AAEUAGOBSA-N 2 1 254.443 3.389 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423268572 393657976 /nfs/dbraw/zinc/65/79/76/393657976.db2.gz GOIPQBSVFZITSV-STQMWFEESA-N 2 1 284.856 3.450 20 0 CGADMP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC000423264630 393658044 /nfs/dbraw/zinc/65/80/44/393658044.db2.gz AKDMNQPTKZOZDQ-OAHLLOKOSA-N 2 1 250.430 3.221 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423288916 393659408 /nfs/dbraw/zinc/65/94/08/393659408.db2.gz VRQWOKPUASUQDC-CYBMUJFWSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1Cl ZINC000423373155 393663994 /nfs/dbraw/zinc/66/39/94/393663994.db2.gz IULFWBUYCPWQKP-GRYCIOLGSA-N 2 1 252.789 3.131 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](COC)CC(C)C)c1 ZINC000361070025 393664322 /nfs/dbraw/zinc/66/43/22/393664322.db2.gz UHSQOAPJHDCWBL-SFHVURJKSA-N 2 1 292.467 3.289 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC[NH2+]1 ZINC000423405184 393666487 /nfs/dbraw/zinc/66/64/87/393666487.db2.gz ZQKKJWQBGNRQHV-MBNYWOFBSA-N 2 1 262.397 3.023 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000361230944 393706376 /nfs/dbraw/zinc/70/63/76/393706376.db2.gz RNOZYKDIIXQDMF-RHSMWYFYSA-N 2 1 285.435 3.030 20 0 CGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000445904334 393834754 /nfs/dbraw/zinc/83/47/54/393834754.db2.gz PSQILVOGKXJTHE-NWDGAFQWSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000494995964 393777177 /nfs/dbraw/zinc/77/71/77/393777177.db2.gz MXHXGQICCFWSIT-YCCFLXJFSA-N 2 1 264.457 3.274 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSC3CCCCC3)CC[C@H]21 ZINC000500118945 393817945 /nfs/dbraw/zinc/81/79/45/393817945.db2.gz UGXJIRNTQBBNSK-NVXWUHKLSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSC3CCCCC3)CC[C@H]21 ZINC000500118945 393817950 /nfs/dbraw/zinc/81/79/50/393817950.db2.gz UGXJIRNTQBBNSK-NVXWUHKLSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSC3CCCCC3)CC[C@H]21 ZINC000500118945 393817954 /nfs/dbraw/zinc/81/79/54/393817954.db2.gz UGXJIRNTQBBNSK-NVXWUHKLSA-N 2 1 296.524 3.468 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000502701136 393883050 /nfs/dbraw/zinc/88/30/50/393883050.db2.gz ZRDSMZAZFPDDBI-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000502701136 393883054 /nfs/dbraw/zinc/88/30/54/393883054.db2.gz ZRDSMZAZFPDDBI-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc2c1 ZINC000666996857 542833507 /nfs/dbraw/zinc/83/35/07/542833507.db2.gz IUJOYRAFEOEPCP-AWEZNQCLSA-N 2 1 288.366 3.336 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000449784488 393944315 /nfs/dbraw/zinc/94/43/15/393944315.db2.gz XIZUJMPKMUJBFH-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000449784488 393944319 /nfs/dbraw/zinc/94/43/19/393944319.db2.gz XIZUJMPKMUJBFH-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000548488576 289009025 /nfs/dbraw/zinc/00/90/25/289009025.db2.gz PFBNASNQCXSQML-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC/C=C\c2ccccc2)C1 ZINC000450472566 393998078 /nfs/dbraw/zinc/99/80/78/393998078.db2.gz LTPNHLBILLPFSA-VTSXBNNFSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450472566 393998084 /nfs/dbraw/zinc/99/80/84/393998084.db2.gz LTPNHLBILLPFSA-VTSXBNNFSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450472566 393998087 /nfs/dbraw/zinc/99/80/87/393998087.db2.gz LTPNHLBILLPFSA-VTSXBNNFSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000451405763 394045075 /nfs/dbraw/zinc/04/50/75/394045075.db2.gz ISQIWSIKDJSDFD-UPJWGTAASA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000451405763 394045078 /nfs/dbraw/zinc/04/50/78/394045078.db2.gz ISQIWSIKDJSDFD-UPJWGTAASA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000451405763 394045081 /nfs/dbraw/zinc/04/50/81/394045081.db2.gz ISQIWSIKDJSDFD-UPJWGTAASA-N 2 1 278.362 3.134 20 0 CGADMP CCC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000453082694 394165303 /nfs/dbraw/zinc/16/53/03/394165303.db2.gz MEXAFIKCSJUOJE-SOLBZPMBSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)CCCc1cccnc1)[NH+]1CCCC1 ZINC000453087809 394167004 /nfs/dbraw/zinc/16/70/04/394167004.db2.gz QEDVTLUIJYZMDU-WMZOPIPTSA-N 2 1 289.467 3.257 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)C1CCC1 ZINC000453102887 394171845 /nfs/dbraw/zinc/17/18/45/394171845.db2.gz VXKQERQOPQGNNM-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453104359 394173079 /nfs/dbraw/zinc/17/30/79/394173079.db2.gz ZIGPCIOBZQGOLW-YOEHRIQHSA-N 2 1 264.457 3.277 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453603293 394255738 /nfs/dbraw/zinc/25/57/38/394255738.db2.gz XCFKHPHCYHCOQR-VQHVLOKHSA-N 2 1 288.435 3.172 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(C)c1 ZINC000453607057 394256702 /nfs/dbraw/zinc/25/67/02/394256702.db2.gz XASKRXVGCPWVFF-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc(OC(F)F)c1)C1CC1 ZINC000453594317 394252395 /nfs/dbraw/zinc/25/23/95/394252395.db2.gz HWMGWUVPEDYHAQ-UHFFFAOYSA-N 2 1 298.377 3.252 20 0 CGADMP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453602755 394255219 /nfs/dbraw/zinc/25/52/19/394255219.db2.gz ABRRXFQLKABSSN-ZFWWWQNUSA-N 2 1 281.469 3.119 20 0 CGADMP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CCCCC1 ZINC000667494881 542877849 /nfs/dbraw/zinc/87/78/49/542877849.db2.gz POWMEDNYKDEOHC-UHFFFAOYSA-N 2 1 284.407 3.279 20 0 CGADMP Cc1ncc(C[N@@H+](CC2CC2)C2CCCCC2)n1C ZINC000667588431 542894144 /nfs/dbraw/zinc/89/41/44/542894144.db2.gz YUUHXPCOEWWXGC-UHFFFAOYSA-N 2 1 261.413 3.273 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000667667873 542911704 /nfs/dbraw/zinc/91/17/04/542911704.db2.gz YFPBALDXWVPTJK-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000667667873 542911707 /nfs/dbraw/zinc/91/17/07/542911707.db2.gz YFPBALDXWVPTJK-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000667667873 542911710 /nfs/dbraw/zinc/91/17/10/542911710.db2.gz YFPBALDXWVPTJK-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000667667873 542911713 /nfs/dbraw/zinc/91/17/13/542911713.db2.gz YFPBALDXWVPTJK-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667786585 542929399 /nfs/dbraw/zinc/92/93/99/542929399.db2.gz VLCAPEQMTSEVEZ-YVSFHVDLSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]2CCCC[C@@H]12 ZINC000667964610 542951082 /nfs/dbraw/zinc/95/10/82/542951082.db2.gz LZXWEWPPHPQERB-JLSDUUJJSA-N 2 1 296.418 3.278 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]2CCCC[C@@H]12 ZINC000667964610 542951083 /nfs/dbraw/zinc/95/10/83/542951083.db2.gz LZXWEWPPHPQERB-JLSDUUJJSA-N 2 1 296.418 3.278 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000668159397 542977124 /nfs/dbraw/zinc/97/71/24/542977124.db2.gz VEMBRRKAJUDDDP-UONOGXRCSA-N 2 1 287.407 3.209 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000668159397 542977127 /nfs/dbraw/zinc/97/71/27/542977127.db2.gz VEMBRRKAJUDDDP-UONOGXRCSA-N 2 1 287.407 3.209 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000668275792 543001328 /nfs/dbraw/zinc/00/13/28/543001328.db2.gz CEUSYBJLAAZBCK-ZSXDVEMLSA-N 2 1 284.447 3.110 20 0 CGADMP CC1=CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668587071 543031680 /nfs/dbraw/zinc/03/16/80/543031680.db2.gz JADGLVLGFPJASH-CVEARBPZSA-N 2 1 262.441 3.482 20 0 CGADMP CC1=CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668587071 543031683 /nfs/dbraw/zinc/03/16/83/543031683.db2.gz JADGLVLGFPJASH-CVEARBPZSA-N 2 1 262.441 3.482 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H]1C(C)C)[NH+]1CCCC1 ZINC000671740318 543184367 /nfs/dbraw/zinc/18/43/67/543184367.db2.gz KGQWJNLZQBUSAB-ARFHVFGLSA-N 2 1 252.446 3.131 20 0 CGADMP C[NH+](C)CCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000373209311 289117930 /nfs/dbraw/zinc/11/79/30/289117930.db2.gz BHSLJAADGUGTLM-AWEZNQCLSA-N 2 1 282.815 3.095 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916551 397609568 /nfs/dbraw/zinc/60/95/68/397609568.db2.gz AJVKBISMWNKRRL-RDJZCZTQSA-N 2 1 290.476 3.373 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916551 397609570 /nfs/dbraw/zinc/60/95/70/397609570.db2.gz AJVKBISMWNKRRL-RDJZCZTQSA-N 2 1 290.476 3.373 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916176 397609750 /nfs/dbraw/zinc/60/97/50/397609750.db2.gz PDGCQNAVCBGRLN-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916176 397609752 /nfs/dbraw/zinc/60/97/52/397609752.db2.gz PDGCQNAVCBGRLN-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP CC[N@@H+](CCC[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000650710231 397898125 /nfs/dbraw/zinc/89/81/25/397898125.db2.gz IJMGFTKQKYMNLZ-UHFFFAOYSA-N 3 1 295.515 3.138 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cscc2Cl)[C@H]1CC[NH3+] ZINC000650711563 397898794 /nfs/dbraw/zinc/89/87/94/397898794.db2.gz XJMYGYZUGQSVAV-MFKMUULPSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cscc2Cl)[C@H]1CC[NH3+] ZINC000650711563 397898796 /nfs/dbraw/zinc/89/87/96/397898796.db2.gz XJMYGYZUGQSVAV-MFKMUULPSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)[C@@H]1CC[NH3+] ZINC000650711055 397899305 /nfs/dbraw/zinc/89/93/05/397899305.db2.gz HDDPPVJOZGFISV-SWLSCSKDSA-N 2 1 293.480 3.360 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)oc1C ZINC000650755313 397909238 /nfs/dbraw/zinc/90/92/38/397909238.db2.gz BSMQMMIFYGIVJL-LLVKDONJSA-N 2 1 276.355 3.345 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000675795385 543365910 /nfs/dbraw/zinc/36/59/10/543365910.db2.gz TVWYXXNFMXLDDM-MSOLQXFVSA-N 2 1 283.419 3.193 20 0 CGADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000678138591 543487528 /nfs/dbraw/zinc/48/75/28/543487528.db2.gz MSVWFEGAGUKXNP-UHFFFAOYSA-N 2 1 288.435 3.146 20 0 CGADMP CC[N@@H+](Cc1ccc(O)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000678222790 543496512 /nfs/dbraw/zinc/49/65/12/543496512.db2.gz HBULHLAIICNPRF-UHFFFAOYSA-N 2 1 298.430 3.476 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000678590109 543538371 /nfs/dbraw/zinc/53/83/71/543538371.db2.gz ZADSRUNETHEBFG-ROUUACIJSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000554742039 289307504 /nfs/dbraw/zinc/30/75/04/289307504.db2.gz SSBGIYDXKMMJTO-IMJJTQAJSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000554742039 289307505 /nfs/dbraw/zinc/30/75/05/289307505.db2.gz SSBGIYDXKMMJTO-IMJJTQAJSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000414189188 286355159 /nfs/dbraw/zinc/35/51/59/286355159.db2.gz QQMGOZHOKBBGIP-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253131377 298384786 /nfs/dbraw/zinc/38/47/86/298384786.db2.gz WKWAESJTNIHCIG-UPJWGTAASA-N 2 1 278.362 3.324 20 0 CGADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000414798313 286878300 /nfs/dbraw/zinc/87/83/00/286878300.db2.gz BZAFKHSWHWJBHW-IINYFYTJSA-N 2 1 286.341 3.136 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469351 287056844 /nfs/dbraw/zinc/05/68/44/287056844.db2.gz RHFYDLGIUNCFNJ-HOTGVXAUSA-N 2 1 290.451 3.420 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469351 287056845 /nfs/dbraw/zinc/05/68/45/287056845.db2.gz RHFYDLGIUNCFNJ-HOTGVXAUSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC000081579011 287074878 /nfs/dbraw/zinc/07/48/78/287074878.db2.gz LWEDAVHMZIDBEZ-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000081579011 287074879 /nfs/dbraw/zinc/07/48/79/287074879.db2.gz LWEDAVHMZIDBEZ-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000081579011 287074881 /nfs/dbraw/zinc/07/48/81/287074881.db2.gz LWEDAVHMZIDBEZ-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000092165949 165281944 /nfs/dbraw/zinc/28/19/44/165281944.db2.gz AYWLWUQIPRXDPE-UHFFFAOYSA-N 2 1 285.435 3.474 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683569 165335965 /nfs/dbraw/zinc/33/59/65/165335965.db2.gz VQIACXXUGZRDQD-OAHLLOKOSA-N 2 1 278.465 3.364 20 0 CGADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(C2CC2)c1 ZINC000094519070 165351875 /nfs/dbraw/zinc/35/18/75/165351875.db2.gz VZNCQGHXXKYCOE-HNNXBMFYSA-N 2 1 270.420 3.138 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261946496 165842908 /nfs/dbraw/zinc/84/29/08/165842908.db2.gz FLIABUAIHZWWJF-UHFFFAOYSA-N 2 1 286.444 3.477 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000116387885 287157225 /nfs/dbraw/zinc/15/72/25/287157225.db2.gz BODXXYQSGHSKCR-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000116387885 287157227 /nfs/dbraw/zinc/15/72/27/287157227.db2.gz BODXXYQSGHSKCR-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000123420863 287220075 /nfs/dbraw/zinc/22/00/75/287220075.db2.gz OLNAUFQXWQZDJA-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccc(C)cc2)CC1 ZINC000124766953 287236842 /nfs/dbraw/zinc/23/68/42/287236842.db2.gz JYKHXIOBMCEAJJ-UHFFFAOYSA-N 2 1 274.452 3.344 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000125280135 287242004 /nfs/dbraw/zinc/24/20/04/287242004.db2.gz KRHXFWAPVXLXJE-FGTMMUONSA-N 3 1 295.515 3.009 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000020189749 171055989 /nfs/dbraw/zinc/05/59/89/171055989.db2.gz ZWDXMXPRIAHXFS-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP CC[N@@H+](Cc1ccccc1N1CC[NH+](CC)CC1)C(C)C ZINC000126379339 287263216 /nfs/dbraw/zinc/26/32/16/287263216.db2.gz MZFSHEBKMXDGLS-UHFFFAOYSA-N 2 1 289.467 3.059 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000126557814 287267726 /nfs/dbraw/zinc/26/77/26/287267726.db2.gz APIYYRQPOMSGKQ-IXDOHACOSA-N 2 1 290.838 3.024 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000126557814 287267729 /nfs/dbraw/zinc/26/77/29/287267729.db2.gz APIYYRQPOMSGKQ-IXDOHACOSA-N 2 1 290.838 3.024 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]c(C)cc3c2)[C@@H](C)C1 ZINC000285544604 196322259 /nfs/dbraw/zinc/32/22/59/196322259.db2.gz DMJWDKNJPHUJSP-SUMWQHHRSA-N 2 1 285.435 3.296 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000037256094 173066754 /nfs/dbraw/zinc/06/67/54/173066754.db2.gz OWWVIHGDCKCWGA-OAHLLOKOSA-N 2 1 274.452 3.427 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037408338 173184995 /nfs/dbraw/zinc/18/49/95/173184995.db2.gz QMZZBNCSNXQPDK-INIZCTEOSA-N 2 1 272.436 3.186 20 0 CGADMP CC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515572 173246986 /nfs/dbraw/zinc/24/69/86/173246986.db2.gz ZSBUUNAZIOHSHN-OAHLLOKOSA-N 2 1 260.425 3.082 20 0 CGADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000127156970 287282254 /nfs/dbraw/zinc/28/22/54/287282254.db2.gz FULXVQUDSOIWGE-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000071206775 176080622 /nfs/dbraw/zinc/08/06/22/176080622.db2.gz FGRYLJVRXHUPCE-LPHOPBHVSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000071376729 176141142 /nfs/dbraw/zinc/14/11/42/176141142.db2.gz QOFWNLZVMGIHNL-OAHLLOKOSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000071376729 176141143 /nfs/dbraw/zinc/14/11/43/176141143.db2.gz QOFWNLZVMGIHNL-OAHLLOKOSA-N 2 1 290.451 3.177 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000129080851 287323790 /nfs/dbraw/zinc/32/37/90/287323790.db2.gz MDYKJHGHVIGOIS-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000129080851 287323793 /nfs/dbraw/zinc/32/37/93/287323793.db2.gz MDYKJHGHVIGOIS-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000129080851 287323796 /nfs/dbraw/zinc/32/37/96/287323796.db2.gz MDYKJHGHVIGOIS-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000401896516 416546769 /nfs/dbraw/zinc/54/67/69/416546769.db2.gz KLFBNFMBQZUEPI-ZSNVMCELSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)[C@H]1CC[NH3+] ZINC000404319554 416552544 /nfs/dbraw/zinc/55/25/44/416552544.db2.gz IOVCTCWEVNOUGG-KDOFPFPSSA-N 2 1 283.419 3.184 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCOCc2ccccc2)[C@H]1CC[NH3+] ZINC000404411886 416553625 /nfs/dbraw/zinc/55/36/25/416553625.db2.gz YIZAFGAFBCOAOS-WMZOPIPTSA-N 2 1 290.451 3.043 20 0 CGADMP c1ccc(C[N@@H+]2CC=CCC2)c(C[NH+]2CC=CCC2)c1 ZINC000679322297 543617896 /nfs/dbraw/zinc/61/78/96/543617896.db2.gz ZSKJXPIXMGHFMW-UHFFFAOYSA-N 2 1 268.404 3.210 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000130339152 287352542 /nfs/dbraw/zinc/35/25/42/287352542.db2.gz LMXTVDBJPMOCJS-RYQLBKOJSA-N 2 1 272.436 3.142 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684376467 543988169 /nfs/dbraw/zinc/98/81/69/543988169.db2.gz ARTJSAVCBFMIOW-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684376467 543988173 /nfs/dbraw/zinc/98/81/73/543988173.db2.gz ARTJSAVCBFMIOW-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@H+](Cc1nccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443823 544070816 /nfs/dbraw/zinc/07/08/16/544070816.db2.gz RSXASDDNIJTWFW-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP C[N@@H+](Cc1nccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443823 544070820 /nfs/dbraw/zinc/07/08/20/544070820.db2.gz RSXASDDNIJTWFW-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1nccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443823 544070824 /nfs/dbraw/zinc/07/08/24/544070824.db2.gz RSXASDDNIJTWFW-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1nccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443823 544070827 /nfs/dbraw/zinc/07/08/27/544070827.db2.gz RSXASDDNIJTWFW-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1c[nH]nc1C)C1CCCCC1 ZINC000652237958 418940035 /nfs/dbraw/zinc/94/00/35/418940035.db2.gz MGVDZWSGRJBUJF-AWEZNQCLSA-N 2 1 292.471 3.413 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1c[nH]nc1C)C1CCCCC1 ZINC000652237958 418940037 /nfs/dbraw/zinc/94/00/37/418940037.db2.gz MGVDZWSGRJBUJF-AWEZNQCLSA-N 2 1 292.471 3.413 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000652353439 418955471 /nfs/dbraw/zinc/95/54/71/418955471.db2.gz JDJYVNOWAJAWIE-KBPBESRZSA-N 2 1 292.854 3.301 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000659974676 419049855 /nfs/dbraw/zinc/04/98/55/419049855.db2.gz OVTAIOAEIPQSLW-UKRRQHHQSA-N 2 1 288.426 3.332 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000659974676 419049860 /nfs/dbraw/zinc/04/98/60/419049860.db2.gz OVTAIOAEIPQSLW-UKRRQHHQSA-N 2 1 288.426 3.332 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974676 419049862 /nfs/dbraw/zinc/04/98/62/419049862.db2.gz OVTAIOAEIPQSLW-UKRRQHHQSA-N 2 1 288.426 3.332 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCC2CCC2)CC1 ZINC000659869562 419022650 /nfs/dbraw/zinc/02/26/50/419022650.db2.gz WWDCQHLEKMWNFZ-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP C(CC1CCC1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659955786 419045573 /nfs/dbraw/zinc/04/55/73/419045573.db2.gz DDUUBSXHZCNDMO-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659970315 419048246 /nfs/dbraw/zinc/04/82/46/419048246.db2.gz JCNLRVBIHISBHC-YSTOQKLRSA-N 2 1 298.474 3.486 20 0 CGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659970315 419048248 /nfs/dbraw/zinc/04/82/48/419048248.db2.gz JCNLRVBIHISBHC-YSTOQKLRSA-N 2 1 298.474 3.486 20 0 CGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659970315 419048250 /nfs/dbraw/zinc/04/82/50/419048250.db2.gz JCNLRVBIHISBHC-YSTOQKLRSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833637 419013233 /nfs/dbraw/zinc/01/32/33/419013233.db2.gz QNXBUUYDALTJSJ-KRWDZBQOSA-N 2 1 298.434 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833637 419013236 /nfs/dbraw/zinc/01/32/36/419013236.db2.gz QNXBUUYDALTJSJ-KRWDZBQOSA-N 2 1 298.434 3.450 20 0 CGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000665252168 419093727 /nfs/dbraw/zinc/09/37/27/419093727.db2.gz IYGLHDNUYRXRNG-KZNAEPCWSA-N 2 1 284.447 3.445 20 0 CGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000665252167 419094261 /nfs/dbraw/zinc/09/42/61/419094261.db2.gz IYGLHDNUYRXRNG-KURKYZTESA-N 2 1 284.447 3.445 20 0 CGADMP C[C@@H]([NH2+]CC1CC=CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220982 419105367 /nfs/dbraw/zinc/10/53/67/419105367.db2.gz NSLYHTRTUALEMI-VQIMIIECSA-N 2 1 284.447 3.453 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000665298330 419111455 /nfs/dbraw/zinc/11/14/55/419111455.db2.gz UZGNTVXJDKOAAG-HUUCEWRRSA-N 2 1 260.425 3.084 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1Cl ZINC000653605435 419058491 /nfs/dbraw/zinc/05/84/91/419058491.db2.gz WUDXDKRWQZEJQU-LLVKDONJSA-N 2 1 295.789 3.496 20 0 CGADMP CSc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000660011448 419063735 /nfs/dbraw/zinc/06/37/35/419063735.db2.gz ODOMOOCRBFTSGU-DOTOQJQBSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000660011448 419063738 /nfs/dbraw/zinc/06/37/38/419063738.db2.gz ODOMOOCRBFTSGU-DOTOQJQBSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000660011448 419063741 /nfs/dbraw/zinc/06/37/41/419063741.db2.gz ODOMOOCRBFTSGU-DOTOQJQBSA-N 2 1 290.476 3.325 20 0 CGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655688282 419064804 /nfs/dbraw/zinc/06/48/04/419064804.db2.gz UZTMHKFXOYSGEU-MAUKXSAKSA-N 2 1 284.447 3.365 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000655939063 419129202 /nfs/dbraw/zinc/12/92/02/419129202.db2.gz BBXUYSCEMYPFAJ-WMLDXEAASA-N 2 1 290.451 3.235 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660654969 419177615 /nfs/dbraw/zinc/17/76/15/419177615.db2.gz JQPAWBFDSCAMFU-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660654969 419177618 /nfs/dbraw/zinc/17/76/18/419177618.db2.gz JQPAWBFDSCAMFU-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660654969 419177620 /nfs/dbraw/zinc/17/76/20/419177620.db2.gz JQPAWBFDSCAMFU-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666088906 419189184 /nfs/dbraw/zinc/18/91/84/419189184.db2.gz RYTUEOOFRUNXTQ-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657292059 419243886 /nfs/dbraw/zinc/24/38/86/419243886.db2.gz CXUPMVAFDYGQDD-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)c(C)c1 ZINC000657315983 419248590 /nfs/dbraw/zinc/24/85/90/419248590.db2.gz WYIHGVOJWJSIFU-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657335402 419253798 /nfs/dbraw/zinc/25/37/98/419253798.db2.gz PRAIOMCBFWLVQK-CYBMUJFWSA-N 2 1 289.448 3.116 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000666228272 419199827 /nfs/dbraw/zinc/19/98/27/419199827.db2.gz YENSOMNGXCDTEA-BBRMVZONSA-N 2 1 294.389 3.284 20 0 CGADMP Fc1ccccc1C[N@H+](CC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000656792118 419221358 /nfs/dbraw/zinc/22/13/58/419221358.db2.gz NOHGURKLQYPEJR-OAHLLOKOSA-N 2 1 276.399 3.037 20 0 CGADMP Fc1ccccc1C[N@@H+](CC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000656792118 419221362 /nfs/dbraw/zinc/22/13/62/419221362.db2.gz NOHGURKLQYPEJR-OAHLLOKOSA-N 2 1 276.399 3.037 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000657179345 419229212 /nfs/dbraw/zinc/22/92/12/419229212.db2.gz JLEGXYPDDAXGAS-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662201505 419360423 /nfs/dbraw/zinc/36/04/23/419360423.db2.gz MJLXYKASKZKLFO-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662201505 419360428 /nfs/dbraw/zinc/36/04/28/419360428.db2.gz MJLXYKASKZKLFO-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP COCc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662317564 419389105 /nfs/dbraw/zinc/38/91/05/419389105.db2.gz ROQPYMLGFMJWHE-CRAIPNDOSA-N 2 1 290.451 3.172 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662318869 419389236 /nfs/dbraw/zinc/38/92/36/419389236.db2.gz HZAGTRJCIYEELJ-CNUNBNKRSA-N 2 1 270.420 3.095 20 0 CGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000662313175 419389906 /nfs/dbraw/zinc/38/99/06/419389906.db2.gz KNJWLRSCXCXUPM-OAHLLOKOSA-N 2 1 278.415 3.427 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662320791 419390865 /nfs/dbraw/zinc/39/08/65/419390865.db2.gz DREXXFGPHGMIJV-WBVHZDCISA-N 2 1 264.457 3.278 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000657876819 419399143 /nfs/dbraw/zinc/39/91/43/419399143.db2.gz NQYAKWNVVPNCNG-STQMWFEESA-N 2 1 289.448 3.289 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2ccncc2s1 ZINC000657876819 419399148 /nfs/dbraw/zinc/39/91/48/419399148.db2.gz NQYAKWNVVPNCNG-STQMWFEESA-N 2 1 289.448 3.289 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000657883270 419404495 /nfs/dbraw/zinc/40/44/95/419404495.db2.gz ZZYFGLJGSODYPX-CABCVRRESA-N 2 1 270.486 3.126 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000657883270 419404501 /nfs/dbraw/zinc/40/45/01/419404501.db2.gz ZZYFGLJGSODYPX-CABCVRRESA-N 2 1 270.486 3.126 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657887648 419407425 /nfs/dbraw/zinc/40/74/25/419407425.db2.gz IZUACIRYTIXBMF-OWCLPIDISA-N 2 1 275.440 3.386 20 0 CGADMP C(C1CCC1)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000662228622 419367104 /nfs/dbraw/zinc/36/71/04/419367104.db2.gz AFRSXTAGSBSQAF-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657818761 419367906 /nfs/dbraw/zinc/36/79/06/419367906.db2.gz XPBNSWHSSXVVRM-GFCCVEGCSA-N 2 1 285.382 3.402 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@H]1CCc2ccccc21 ZINC000662248886 419372889 /nfs/dbraw/zinc/37/28/89/419372889.db2.gz DSKTYEPDIVYMKN-NVXWUHKLSA-N 2 1 260.425 3.070 20 0 CGADMP C[N@@H+](CC[C@@H]1CCc2ccccc21)CC(C)(C)C[NH3+] ZINC000662248084 419373558 /nfs/dbraw/zinc/37/35/58/419373558.db2.gz SMZWBAUEQHNVPQ-HNNXBMFYSA-N 2 1 260.425 3.023 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662270972 419379128 /nfs/dbraw/zinc/37/91/28/419379128.db2.gz CUCIMUGEJLBFAR-ZDUSSCGKSA-N 2 1 298.883 3.493 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662278050 419381404 /nfs/dbraw/zinc/38/14/04/419381404.db2.gz ZYWYGAKHOIFADV-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662278052 419381906 /nfs/dbraw/zinc/38/19/06/419381906.db2.gz ZYWYGAKHOIFADV-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662284835 419385631 /nfs/dbraw/zinc/38/56/31/419385631.db2.gz PXCXZXVXTNXVJC-CJNGLKHVSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCc1c[nH+]cn1C ZINC000657983560 419479000 /nfs/dbraw/zinc/47/90/00/419479000.db2.gz WKSRCWZLQPIMIK-OAHLLOKOSA-N 2 1 297.446 3.062 20 0 CGADMP Cc1ccsc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346998 419565343 /nfs/dbraw/zinc/56/53/43/419565343.db2.gz FCGIKCZYHVAXQP-HNNXBMFYSA-N 2 1 278.465 3.268 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347883 419565438 /nfs/dbraw/zinc/56/54/38/419565438.db2.gz ZECBHVLKFSQIHO-OIISXLGYSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2cnccc2o1 ZINC000658030566 419509252 /nfs/dbraw/zinc/50/92/52/419509252.db2.gz FJTPOWWLCRHOKX-CYBMUJFWSA-N 2 1 287.407 3.353 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)CC[N@H+]1C ZINC000663477996 419633210 /nfs/dbraw/zinc/63/32/10/419633210.db2.gz IZZWCHLGQMQVNV-WDEREUQCSA-N 2 1 266.351 3.037 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H](C)C1 ZINC000663480098 419633876 /nfs/dbraw/zinc/63/38/76/419633876.db2.gz XQLFZUFYGASLKO-NWDGAFQWSA-N 2 1 280.378 3.285 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000663499296 419637573 /nfs/dbraw/zinc/63/75/73/419637573.db2.gz XHWNVSXBHDHBGX-CYBMUJFWSA-N 2 1 295.477 3.335 20 0 CGADMP C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466055 419615636 /nfs/dbraw/zinc/61/56/36/419615636.db2.gz NORSTSBFSWZJOZ-IAGOWNOFSA-N 2 1 276.468 3.421 20 0 CGADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466029 419616981 /nfs/dbraw/zinc/61/69/81/419616981.db2.gz NENVFPJLNBFYGQ-WBVHZDCISA-N 2 1 288.435 3.369 20 0 CGADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466029 419616987 /nfs/dbraw/zinc/61/69/87/419616987.db2.gz NENVFPJLNBFYGQ-WBVHZDCISA-N 2 1 288.435 3.369 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCSCC1 ZINC000663464680 419617598 /nfs/dbraw/zinc/61/75/98/419617598.db2.gz FYKLFNCLQSBQTM-ZBFHGGJFSA-N 2 1 296.524 3.230 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C(F)F ZINC000663466517 419619260 /nfs/dbraw/zinc/61/92/60/419619260.db2.gz UYSZLOWZIJDGTG-TZMCWYRMSA-N 2 1 288.426 3.378 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCC1 ZINC000663466510 419619375 /nfs/dbraw/zinc/61/93/75/419619375.db2.gz UYAAFGLDXNMZMP-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000179678428 260063192 /nfs/dbraw/zinc/06/31/92/260063192.db2.gz WGGCNCMMLORAGB-SFHVURJKSA-N 2 1 294.483 3.166 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCCCC1 ZINC000525784473 262234009 /nfs/dbraw/zinc/23/40/09/262234009.db2.gz UKWZAYXXCRHASP-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCCCC1 ZINC000525784473 262234011 /nfs/dbraw/zinc/23/40/11/262234011.db2.gz UKWZAYXXCRHASP-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CCCCC1 ZINC000525784473 262234012 /nfs/dbraw/zinc/23/40/12/262234012.db2.gz UKWZAYXXCRHASP-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP Fc1cccc(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000182805749 262253865 /nfs/dbraw/zinc/25/38/65/262253865.db2.gz HDHFYKPEASGNES-QGZVFWFLSA-N 2 1 290.426 3.176 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000037292644 270029145 /nfs/dbraw/zinc/02/91/45/270029145.db2.gz SSZUZROOOBZWFU-NUEKZKHPSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000037292644 270029146 /nfs/dbraw/zinc/02/91/46/270029146.db2.gz SSZUZROOOBZWFU-NUEKZKHPSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000040621243 270029857 /nfs/dbraw/zinc/02/98/57/270029857.db2.gz CWHOMAYPJOZFMK-FUHWJXTLSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000044534294 270036603 /nfs/dbraw/zinc/03/66/03/270036603.db2.gz QUHAYZKDGFIYND-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000044534294 270036604 /nfs/dbraw/zinc/03/66/04/270036604.db2.gz QUHAYZKDGFIYND-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868574 270049232 /nfs/dbraw/zinc/04/92/32/270049232.db2.gz AODFIWJVPJLKNN-IAGOWNOFSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+](C)CCCc1c[nH+]cn1C ZINC000519177257 265353184 /nfs/dbraw/zinc/35/31/84/265353184.db2.gz YQDSMUVTDFSZLD-CYBMUJFWSA-N 2 1 275.371 3.185 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000519177257 265353187 /nfs/dbraw/zinc/35/31/87/265353187.db2.gz YQDSMUVTDFSZLD-CYBMUJFWSA-N 2 1 275.371 3.185 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C(C)C ZINC000193946122 270080560 /nfs/dbraw/zinc/08/05/60/270080560.db2.gz PXRUGUOVEHZJQS-IXDOHACOSA-N 2 1 294.483 3.043 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000223095547 270086245 /nfs/dbraw/zinc/08/62/45/270086245.db2.gz DGPDFUPFVRYFGW-NUEKZKHPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000223095547 270086246 /nfs/dbraw/zinc/08/62/46/270086246.db2.gz DGPDFUPFVRYFGW-NUEKZKHPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000236872972 270089640 /nfs/dbraw/zinc/08/96/40/270089640.db2.gz PJWJROZWDUTUNS-HZPDHXFCSA-N 2 1 262.441 3.328 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527701877 270132555 /nfs/dbraw/zinc/13/25/55/270132555.db2.gz SNFMZJFEVHVBEL-IBGZPJMESA-N 2 1 295.430 3.002 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527842483 270138890 /nfs/dbraw/zinc/13/88/90/270138890.db2.gz KHFUDDQLMPAMTI-YJBOKZPZSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H]1CC12CC2 ZINC000527848860 270139644 /nfs/dbraw/zinc/13/96/44/270139644.db2.gz SWVNYUAJBVGGER-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527904704 270143150 /nfs/dbraw/zinc/14/31/50/270143150.db2.gz PUIDJVKAGNFWGV-JYJNAYRXSA-N 2 1 264.457 3.275 20 0 CGADMP CC1(C)CCC[C@@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527920866 270144186 /nfs/dbraw/zinc/14/41/86/270144186.db2.gz ZELGWBKFVFVNJH-CQSZACIVSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC[N@@H+]1C ZINC000527943314 270146127 /nfs/dbraw/zinc/14/61/27/270146127.db2.gz NTKJKMQXBVMZQP-YZTAHQKSSA-N 2 1 290.838 3.050 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC[N@H+]1C ZINC000527943314 270146128 /nfs/dbraw/zinc/14/61/28/270146128.db2.gz NTKJKMQXBVMZQP-YZTAHQKSSA-N 2 1 290.838 3.050 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000528414684 270164709 /nfs/dbraw/zinc/16/47/09/270164709.db2.gz FUQXPTYATRZGEJ-ZFWWWQNUSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000528414684 270164710 /nfs/dbraw/zinc/16/47/10/270164710.db2.gz FUQXPTYATRZGEJ-ZFWWWQNUSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000528414684 270164711 /nfs/dbraw/zinc/16/47/11/270164711.db2.gz FUQXPTYATRZGEJ-ZFWWWQNUSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216010 270195765 /nfs/dbraw/zinc/19/57/65/270195765.db2.gz LQDFSKSJTCUOFN-CXAGYDPISA-N 2 1 284.403 3.238 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1c[nH+]ccc1N ZINC000530214254 270195894 /nfs/dbraw/zinc/19/58/94/270195894.db2.gz WGNXCIOBNSVKMY-RBOIERGSSA-N 2 1 299.805 3.136 20 0 CGADMP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530245515 270197230 /nfs/dbraw/zinc/19/72/30/270197230.db2.gz YOQXXUNILMLFNY-OAHLLOKOSA-N 2 1 296.817 3.286 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530245321 270197302 /nfs/dbraw/zinc/19/73/02/270197302.db2.gz WDCHQHGJRIZEAZ-GOEBONIOSA-N 2 1 258.409 3.054 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2OC)C1 ZINC000530666345 270201678 /nfs/dbraw/zinc/20/16/78/270201678.db2.gz PKVNJWQUVXHIIF-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2OC)C1 ZINC000530666345 270201679 /nfs/dbraw/zinc/20/16/79/270201679.db2.gz PKVNJWQUVXHIIF-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000530666345 270201680 /nfs/dbraw/zinc/20/16/80/270201680.db2.gz PKVNJWQUVXHIIF-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000530666345 270201681 /nfs/dbraw/zinc/20/16/81/270201681.db2.gz PKVNJWQUVXHIIF-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCCC2)C[C@@H]1C ZINC000530663076 270201753 /nfs/dbraw/zinc/20/17/53/270201753.db2.gz GJFSFMYOYGCHJW-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CCCC2)C[C@@H]1C ZINC000530663076 270201754 /nfs/dbraw/zinc/20/17/54/270201754.db2.gz GJFSFMYOYGCHJW-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CCCC2)C[C@@H]1C ZINC000530663076 270201755 /nfs/dbraw/zinc/20/17/55/270201755.db2.gz GJFSFMYOYGCHJW-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000532212812 270214210 /nfs/dbraw/zinc/21/42/10/270214210.db2.gz TZKHRLAGTOCJOF-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000532212812 270214211 /nfs/dbraw/zinc/21/42/11/270214211.db2.gz TZKHRLAGTOCJOF-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CC(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000532380382 270215863 /nfs/dbraw/zinc/21/58/63/270215863.db2.gz YGJJLEFHHDKCMF-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000532380382 270215864 /nfs/dbraw/zinc/21/58/64/270215864.db2.gz YGJJLEFHHDKCMF-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000532380382 270215865 /nfs/dbraw/zinc/21/58/65/270215865.db2.gz YGJJLEFHHDKCMF-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)s1 ZINC000532779160 270219609 /nfs/dbraw/zinc/21/96/09/270219609.db2.gz MJCIXLHVMSDBGM-UHFFFAOYSA-N 2 1 295.496 3.312 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+](CC)CC)C1 ZINC000351470267 280053196 /nfs/dbraw/zinc/05/31/96/280053196.db2.gz BHEDYKVIISPQDF-LSDHHAIUSA-N 2 1 272.502 3.324 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000152236783 273511005 /nfs/dbraw/zinc/51/10/05/273511005.db2.gz BUFPDRQHURDDDY-MRXNPFEDSA-N 2 1 276.424 3.367 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000246102293 287692736 /nfs/dbraw/zinc/69/27/36/287692736.db2.gz JHYMLDKUOVQMHO-CKEIUWERSA-N 2 1 264.457 3.418 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C2CCCCCC2)cc1 ZINC000420323927 274116673 /nfs/dbraw/zinc/11/66/73/274116673.db2.gz UPTRXTYQTGCENX-INIZCTEOSA-N 2 1 290.451 3.392 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)[C@H](C)[NH3+] ZINC000423446491 274262775 /nfs/dbraw/zinc/26/27/75/274262775.db2.gz OEJUICSYDFOSEJ-DAROEXNTSA-N 2 1 273.207 3.306 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000336225329 274385094 /nfs/dbraw/zinc/38/50/94/274385094.db2.gz QUZOIVOWOHMHGR-NEPJUHHUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cccc32)CC[N@@H+]1C ZINC000453233315 274392743 /nfs/dbraw/zinc/39/27/43/274392743.db2.gz KBXAIXSCWMOFRL-IIYDPXPESA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cccc32)CC[N@H+]1C ZINC000453233315 274392745 /nfs/dbraw/zinc/39/27/45/274392745.db2.gz KBXAIXSCWMOFRL-IIYDPXPESA-N 2 1 276.399 3.275 20 0 CGADMP C[C@]1(C[NH3+])CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000235735381 274650659 /nfs/dbraw/zinc/65/06/59/274650659.db2.gz FDHHHBQVFJUZAW-OAHLLOKOSA-N 2 1 275.783 3.063 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000251928367 287788278 /nfs/dbraw/zinc/78/82/78/287788278.db2.gz VCMXJCAGLZRBGH-NFAWXSAZSA-N 2 1 250.430 3.028 20 0 CGADMP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250669397 275396015 /nfs/dbraw/zinc/39/60/15/275396015.db2.gz TXAIMYCMZNLLMV-KBMXLJTQSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000354220438 275918804 /nfs/dbraw/zinc/91/88/04/275918804.db2.gz YJVXTCUJFAOLGN-IAGOWNOFSA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432438796 276026034 /nfs/dbraw/zinc/02/60/34/276026034.db2.gz CMDNZZKBOLTMCR-KURKYZTESA-N 2 1 296.499 3.292 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000423381163 276106678 /nfs/dbraw/zinc/10/66/78/276106678.db2.gz HTJFEMVHCBSERU-ZIAGYGMSSA-N 2 1 250.430 3.077 20 0 CGADMP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000423048157 276219523 /nfs/dbraw/zinc/21/95/23/276219523.db2.gz IFEIYSRJDYRFIH-GVDBMIGSSA-N 2 1 294.483 3.094 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289937268 276221679 /nfs/dbraw/zinc/22/16/79/276221679.db2.gz VYKSMNHZOMRNPI-LSDHHAIUSA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289937268 276221680 /nfs/dbraw/zinc/22/16/80/276221680.db2.gz VYKSMNHZOMRNPI-LSDHHAIUSA-N 2 1 283.419 3.227 20 0 CGADMP CCC1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232920368 276222187 /nfs/dbraw/zinc/22/21/87/276222187.db2.gz PWLWJIWLFWFPKJ-UIDBIOKJSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000423293756 276240302 /nfs/dbraw/zinc/24/03/02/276240302.db2.gz ARJGUQAJJCUPCR-GJZGRUSLSA-N 2 1 252.377 3.384 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421865706 276251737 /nfs/dbraw/zinc/25/17/37/276251737.db2.gz ZVJBESDCPQMYMN-DOTOQJQBSA-N 2 1 289.467 3.039 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421865706 276251740 /nfs/dbraw/zinc/25/17/40/276251740.db2.gz ZVJBESDCPQMYMN-DOTOQJQBSA-N 2 1 289.467 3.039 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC(F)(F)F ZINC000353974826 276262362 /nfs/dbraw/zinc/26/23/62/276262362.db2.gz SPJSMIZEYWMCBY-NEPJUHHUSA-N 2 1 266.351 3.181 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC(F)(F)F ZINC000353974826 276262363 /nfs/dbraw/zinc/26/23/63/276262363.db2.gz SPJSMIZEYWMCBY-NEPJUHHUSA-N 2 1 266.351 3.181 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347532939 276323923 /nfs/dbraw/zinc/32/39/23/276323923.db2.gz FAWARNWTVANOFM-UHFFFAOYSA-N 2 1 262.388 3.228 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459789154 277073464 /nfs/dbraw/zinc/07/34/64/277073464.db2.gz QEZDWQGZENEHAJ-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176159 277073696 /nfs/dbraw/zinc/07/36/96/277073696.db2.gz IBHHUSXQWLPGMA-WBMJQRKESA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000414174193 277173432 /nfs/dbraw/zinc/17/34/32/277173432.db2.gz XVNANSCHZGFEOK-KSIDHJATSA-N 2 1 288.410 3.144 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000459754163 277217657 /nfs/dbraw/zinc/21/76/57/277217657.db2.gz MDOSYVLHUZWSEA-HZPDHXFCSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)CC[N@@H+]1C ZINC000335233973 278024631 /nfs/dbraw/zinc/02/46/31/278024631.db2.gz UYMNJCQNEFHUHQ-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)CC[N@H+]1C ZINC000335233973 278024634 /nfs/dbraw/zinc/02/46/34/278024634.db2.gz UYMNJCQNEFHUHQ-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423445221 278058097 /nfs/dbraw/zinc/05/80/97/278058097.db2.gz MMHMVRYKXBXNBV-WWGRRREGSA-N 2 1 276.424 3.349 20 0 CGADMP CC1(C)CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000395292573 288007962 /nfs/dbraw/zinc/00/79/62/288007962.db2.gz LHARGNHCWSIZID-MRXNPFEDSA-N 2 1 272.436 3.287 20 0 CGADMP CC1(C)CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000227165282 278201327 /nfs/dbraw/zinc/20/13/27/278201327.db2.gz GVEANOWEEIIWSO-GJZGRUSLSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000227165282 278201328 /nfs/dbraw/zinc/20/13/28/278201328.db2.gz GVEANOWEEIIWSO-GJZGRUSLSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccsc2Cl)C[C@H]1C[NH3+] ZINC000397487656 288024299 /nfs/dbraw/zinc/02/42/99/288024299.db2.gz WSPJFGSOKGMMBF-CKYFFXLPSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccsc2Cl)C[C@H]1C[NH3+] ZINC000397487656 288024303 /nfs/dbraw/zinc/02/43/03/288024303.db2.gz WSPJFGSOKGMMBF-CKYFFXLPSA-N 2 1 272.845 3.207 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC1(C)C ZINC000397561276 288024308 /nfs/dbraw/zinc/02/43/08/288024308.db2.gz ARQIPDMHCQOHSJ-BARDWOONSA-N 2 1 250.430 3.028 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000397646213 288026015 /nfs/dbraw/zinc/02/60/15/288026015.db2.gz CVMXZSNHICWKPN-ALXJQNPVSA-N 2 1 270.420 3.039 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252779627 278312583 /nfs/dbraw/zinc/31/25/83/278312583.db2.gz PZQGKBNPMGTSAM-TUAOUCFPSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1c[nH+]ccc1N ZINC000335058436 278372521 /nfs/dbraw/zinc/37/25/21/278372521.db2.gz ITWNBFZSHPSPDG-QMTHXVAHSA-N 2 1 273.405 3.284 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1c[nH+]ccc1N ZINC000335058439 278384301 /nfs/dbraw/zinc/38/43/01/278384301.db2.gz ITWNBFZSHPSPDG-YGRLFVJLSA-N 2 1 273.405 3.284 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(OC)cc1 ZINC000423258648 288063207 /nfs/dbraw/zinc/06/32/07/288063207.db2.gz CFSXEOYOTKFDAY-ZBFHGGJFSA-N 2 1 264.413 3.109 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459382462 288086417 /nfs/dbraw/zinc/08/64/17/288086417.db2.gz FDLLQWPNJPXACD-CQSZACIVSA-N 2 1 283.419 3.495 20 0 CGADMP CC(C)(C)CCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459404876 288089750 /nfs/dbraw/zinc/08/97/50/288089750.db2.gz JQDDMEPPAGKEKC-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175768276 279037022 /nfs/dbraw/zinc/03/70/22/279037022.db2.gz QDVRGLWDNPPNKL-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175768276 279037024 /nfs/dbraw/zinc/03/70/24/279037024.db2.gz QDVRGLWDNPPNKL-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175768276 279037027 /nfs/dbraw/zinc/03/70/27/279037027.db2.gz QDVRGLWDNPPNKL-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175768276 279037028 /nfs/dbraw/zinc/03/70/28/279037028.db2.gz QDVRGLWDNPPNKL-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000366964249 279094239 /nfs/dbraw/zinc/09/42/39/279094239.db2.gz SPLCCFLUZJYVHD-RCCFBDPRSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423258107 279142257 /nfs/dbraw/zinc/14/22/57/279142257.db2.gz AZTCKLQILHATLL-UKRRQHHQSA-N 2 1 266.816 3.290 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)CC(C)C ZINC000449071959 279147766 /nfs/dbraw/zinc/14/77/66/279147766.db2.gz CSVPVEURYSRNLO-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415067387 279378773 /nfs/dbraw/zinc/37/87/73/279378773.db2.gz OZYNSJFKUVZCCZ-MLGOLLRUSA-N 2 1 280.843 3.378 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000520618934 288135083 /nfs/dbraw/zinc/13/50/83/288135083.db2.gz CAOOHPRHGHETQM-MTCRFPMVSA-N 2 1 284.447 3.364 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CCCO1 ZINC000432420812 288163503 /nfs/dbraw/zinc/16/35/03/288163503.db2.gz MUYUUYXNCOBKRX-KBAYOESNSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423476972 280166335 /nfs/dbraw/zinc/16/63/35/280166335.db2.gz SZFATZQUGLOATA-CMPLNLGQSA-N 2 1 290.329 3.016 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000453068427 280187004 /nfs/dbraw/zinc/18/70/04/280187004.db2.gz AHGPSCWYNMANBN-DOTOQJQBSA-N 2 1 275.440 3.387 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1F ZINC000423377888 280334861 /nfs/dbraw/zinc/33/48/61/280334861.db2.gz KQDXOHNAWRVKCN-FFSVYQOJSA-N 2 1 282.378 3.392 20 0 CGADMP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414859218 280478986 /nfs/dbraw/zinc/47/89/86/280478986.db2.gz AQIAVYLTAKPWOJ-KSZLIROESA-N 2 1 272.436 3.130 20 0 CGADMP Cc1cccc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000157565996 281225816 /nfs/dbraw/zinc/22/58/16/281225816.db2.gz FRXKXZLWAURIIB-IRXDYDNUSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cccc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000157565996 281225818 /nfs/dbraw/zinc/22/58/18/281225818.db2.gz FRXKXZLWAURIIB-IRXDYDNUSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358140120 281272088 /nfs/dbraw/zinc/27/20/88/281272088.db2.gz WZWPTLYLBAAQMA-ZQIUZPCESA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358140120 281272089 /nfs/dbraw/zinc/27/20/89/281272089.db2.gz WZWPTLYLBAAQMA-ZQIUZPCESA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000247047850 281334463 /nfs/dbraw/zinc/33/44/63/281334463.db2.gz OOYWQMLMPDNCKV-JKSUJKDBSA-N 2 1 272.436 3.099 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420298404 281379561 /nfs/dbraw/zinc/37/95/61/281379561.db2.gz FEBTZNNEPMOSSY-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359230473 281379757 /nfs/dbraw/zinc/37/97/57/281379757.db2.gz ZMCMPHYPSFUFHI-HNNXBMFYSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531724441 288343577 /nfs/dbraw/zinc/34/35/77/288343577.db2.gz VCVRIRVWLIYZOY-JKIFEVAISA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531724441 288343579 /nfs/dbraw/zinc/34/35/79/288343579.db2.gz VCVRIRVWLIYZOY-JKIFEVAISA-N 2 1 278.415 3.219 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000532225419 288356157 /nfs/dbraw/zinc/35/61/57/288356157.db2.gz YSFKVIVMXWUCCB-AEFFLSMTSA-N 2 1 272.436 3.459 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2C)[C@H](C)C1 ZINC000532471381 288363249 /nfs/dbraw/zinc/36/32/49/288363249.db2.gz XNQFKYRYUBQHST-IAGOWNOFSA-N 2 1 290.451 3.002 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000414690223 282039157 /nfs/dbraw/zinc/03/91/57/282039157.db2.gz HKVWLJMUEBGBKD-CORIIIEPSA-N 2 1 293.480 3.149 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884486 289027499 /nfs/dbraw/zinc/02/74/99/289027499.db2.gz LOHJHJLCJZFMRE-QXSJWSMHSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884486 289027501 /nfs/dbraw/zinc/02/75/01/289027501.db2.gz LOHJHJLCJZFMRE-QXSJWSMHSA-N 2 1 264.457 3.275 20 0 CGADMP CCCCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550627613 289079727 /nfs/dbraw/zinc/07/97/27/289079727.db2.gz NHLWJTKHOWPAOB-ZWKOTPCHSA-N 2 1 290.451 3.228 20 0 CGADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550627613 289079732 /nfs/dbraw/zinc/07/97/32/289079732.db2.gz NHLWJTKHOWPAOB-ZWKOTPCHSA-N 2 1 290.451 3.228 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000550859802 289087268 /nfs/dbraw/zinc/08/72/68/289087268.db2.gz YSVPUPHPRUPKPV-OWLYRPNTSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000550859801 289087299 /nfs/dbraw/zinc/08/72/99/289087299.db2.gz YSVPUPHPRUPKPV-DKIMLUQUSA-N 2 1 272.436 3.110 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000550890019 289089054 /nfs/dbraw/zinc/08/90/54/289089054.db2.gz CCVLKSYWBVXJHF-HZPDHXFCSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000550890019 289089058 /nfs/dbraw/zinc/08/90/58/289089058.db2.gz CCVLKSYWBVXJHF-HZPDHXFCSA-N 2 1 250.430 3.339 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000551266778 289105915 /nfs/dbraw/zinc/10/59/15/289105915.db2.gz DXWDRTUGWJJAMA-AWEZNQCLSA-N 2 1 291.439 3.005 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000552033593 289151948 /nfs/dbraw/zinc/15/19/48/289151948.db2.gz KHHWBQRBHWPAON-IKGGRYGDSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000552043951 289153926 /nfs/dbraw/zinc/15/39/26/289153926.db2.gz HZCDCIIKROSPPA-KGLIPLIRSA-N 2 1 296.405 3.217 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000552275126 289176975 /nfs/dbraw/zinc/17/69/75/289176975.db2.gz LVZKRBGXSBUFGX-PMPSAXMXSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC000553506884 289227627 /nfs/dbraw/zinc/22/76/27/289227627.db2.gz BNJYEHBHRPCTIC-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312414 289268144 /nfs/dbraw/zinc/26/81/44/289268144.db2.gz UOOLGOPABRAMNH-IUODEOHRSA-N 2 1 281.831 3.040 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000554879655 289316584 /nfs/dbraw/zinc/31/65/84/289316584.db2.gz ZDISNQOMXNYFPJ-LPHOPBHVSA-N 2 1 286.463 3.454 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CCCCCC1 ZINC000371466661 289323018 /nfs/dbraw/zinc/32/30/18/289323018.db2.gz QXMNXYNLCDOCPI-KURKYZTESA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000555162834 289330964 /nfs/dbraw/zinc/33/09/64/289330964.db2.gz DWWQREXAEJSNHE-HOTGVXAUSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000555234309 289334977 /nfs/dbraw/zinc/33/49/77/289334977.db2.gz MWGHHCOQVMGRKJ-VSVYTNTFSA-N 2 1 272.436 3.110 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3C=CCCCCC3)CC[C@@H]21 ZINC000555379297 289342798 /nfs/dbraw/zinc/34/27/98/289342798.db2.gz AUZODJFXMRZDNQ-ZACQAIPSSA-N 2 1 262.441 3.291 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3C=CCCCCC3)CC[C@@H]21 ZINC000555379297 289342799 /nfs/dbraw/zinc/34/27/99/289342799.db2.gz AUZODJFXMRZDNQ-ZACQAIPSSA-N 2 1 262.441 3.291 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3C=CCCCCC3)CC[C@@H]21 ZINC000555379297 289342800 /nfs/dbraw/zinc/34/28/00/289342800.db2.gz AUZODJFXMRZDNQ-ZACQAIPSSA-N 2 1 262.441 3.291 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3C=CCCCCC3)CC[C@@H]21 ZINC000555379297 289342801 /nfs/dbraw/zinc/34/28/01/289342801.db2.gz AUZODJFXMRZDNQ-ZACQAIPSSA-N 2 1 262.441 3.291 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411631898 289374931 /nfs/dbraw/zinc/37/49/31/289374931.db2.gz CQORDAUSPCGLTO-ULQDDVLXSA-N 2 1 276.399 3.098 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411631898 289374933 /nfs/dbraw/zinc/37/49/33/289374933.db2.gz CQORDAUSPCGLTO-ULQDDVLXSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556210425 289377676 /nfs/dbraw/zinc/37/76/76/289377676.db2.gz RKMMBBQIKCEAKL-OLMNPRSZSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000556582483 289397713 /nfs/dbraw/zinc/39/77/13/289397713.db2.gz AIKZOULWASCLQV-LPHOPBHVSA-N 2 1 286.463 3.248 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000511009666 289583264 /nfs/dbraw/zinc/58/32/64/289583264.db2.gz HXOALDFWMKHONM-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000422920927 289733711 /nfs/dbraw/zinc/73/37/11/289733711.db2.gz NXWMIHOSZAGESL-IVZWLZJFSA-N 2 1 258.768 3.256 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000562958915 289746981 /nfs/dbraw/zinc/74/69/81/289746981.db2.gz XFDFQLVADMLKJE-INMHGKMJSA-N 2 1 292.471 3.425 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000453427368 290015943 /nfs/dbraw/zinc/01/59/43/290015943.db2.gz ZMGDRCYSXCDYBA-OLMNGRFOSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000453427368 290015945 /nfs/dbraw/zinc/01/59/45/290015945.db2.gz ZMGDRCYSXCDYBA-OLMNGRFOSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000422713595 290034723 /nfs/dbraw/zinc/03/47/23/290034723.db2.gz PUVJBJWEDWCSKH-FPMFFAJLSA-N 2 1 286.341 3.268 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261664937 290224651 /nfs/dbraw/zinc/22/46/51/290224651.db2.gz KYDPUGIHRFAMHL-UXIGCNINSA-N 2 1 298.352 3.450 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278725 290243970 /nfs/dbraw/zinc/24/39/70/290243970.db2.gz MTBALKKTGWXVFA-XWIAVFTESA-N 2 1 266.388 3.052 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261575941 290248225 /nfs/dbraw/zinc/24/82/25/290248225.db2.gz NKIUKDZLTURUTG-WCUVEOEZSA-N 2 1 264.800 3.070 20 0 CGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423457102 295242463 /nfs/dbraw/zinc/24/24/63/295242463.db2.gz FJBJXSMSLQVEKR-DOXZYTNZSA-N 2 1 298.430 3.304 20 0 CGADMP COc1cccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)c1 ZINC000414681929 295327650 /nfs/dbraw/zinc/32/76/50/295327650.db2.gz QDCJGIBSJSQSCP-NVXWUHKLSA-N 2 1 276.424 3.206 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)c1 ZINC000414681929 295327652 /nfs/dbraw/zinc/32/76/52/295327652.db2.gz QDCJGIBSJSQSCP-NVXWUHKLSA-N 2 1 276.424 3.206 20 0 CGADMP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423091768 302183699 /nfs/dbraw/zinc/18/36/99/302183699.db2.gz YSGVJBBDQQRIJG-RISCZKNCSA-N 2 1 286.341 3.186 20 0 CGADMP Fc1ccccc1[C@@H]([NH2+]C1CC[NH2+]CC1)C1CCCC1 ZINC000422874957 303136945 /nfs/dbraw/zinc/13/69/45/303136945.db2.gz OHPYHPVTMDFOHQ-KRWDZBQOSA-N 2 1 276.399 3.399 20 0 CGADMP CC(C)CSCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000157099831 321790432 /nfs/dbraw/zinc/79/04/32/321790432.db2.gz UGAAMNXOZBVNNN-UHFFFAOYSA-N 2 1 272.502 3.228 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563722183 322007999 /nfs/dbraw/zinc/00/79/99/322007999.db2.gz KZVAVEAGUMVXHR-GXTWGEPZSA-N 2 1 266.816 3.268 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563722183 322008001 /nfs/dbraw/zinc/00/80/01/322008001.db2.gz KZVAVEAGUMVXHR-GXTWGEPZSA-N 2 1 266.816 3.268 20 0 CGADMP C[C@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000563828743 322011825 /nfs/dbraw/zinc/01/18/25/322011825.db2.gz DJKRXGKDPZMMHR-ZUWIJXEISA-N 2 1 284.447 3.428 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000565166632 322064451 /nfs/dbraw/zinc/06/44/51/322064451.db2.gz SHEOLGKYZMMNGR-OAHLLOKOSA-N 2 1 275.421 3.155 20 0 CGADMP CC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000565866518 322094399 /nfs/dbraw/zinc/09/43/99/322094399.db2.gz VWUDBVHUHJTZIU-ROUUACIJSA-N 2 1 284.447 3.240 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000565862938 322094599 /nfs/dbraw/zinc/09/45/99/322094599.db2.gz LERNRZONSRFZJS-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000565862938 322094600 /nfs/dbraw/zinc/09/46/00/322094600.db2.gz LERNRZONSRFZJS-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CCC2 ZINC000566242660 322110994 /nfs/dbraw/zinc/11/09/94/322110994.db2.gz HCLYHJAVHBYKDX-ROUUACIJSA-N 2 1 288.410 3.279 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)CCC2 ZINC000566242661 322111063 /nfs/dbraw/zinc/11/10/63/322111063.db2.gz HCLYHJAVHBYKDX-ZWKOTPCHSA-N 2 1 288.410 3.279 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566331529 322116625 /nfs/dbraw/zinc/11/66/25/322116625.db2.gz UWXHHIHWECVUMS-OWLYRPNTSA-N 2 1 290.426 3.377 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000566414356 322120911 /nfs/dbraw/zinc/12/09/11/322120911.db2.gz OCHYRSJWCFYNDJ-UHFFFAOYSA-N 2 1 283.375 3.231 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000566414356 322120914 /nfs/dbraw/zinc/12/09/14/322120914.db2.gz OCHYRSJWCFYNDJ-UHFFFAOYSA-N 2 1 283.375 3.231 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000567638520 322171513 /nfs/dbraw/zinc/17/15/13/322171513.db2.gz PZRAFVAUNPXCPF-ZDUSSCGKSA-N 2 1 290.407 3.482 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000567868188 322180578 /nfs/dbraw/zinc/18/05/78/322180578.db2.gz VVSGEMHFNWTVBZ-QEOTZNIISA-N 2 1 294.483 3.185 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000568166387 322195657 /nfs/dbraw/zinc/19/56/57/322195657.db2.gz JWLKZWKHNRAKFE-UHFFFAOYSA-N 2 1 297.446 3.498 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000568269472 322201945 /nfs/dbraw/zinc/20/19/45/322201945.db2.gz MFJSCNCHRGQDHQ-IAGOWNOFSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1coc(-c2ccccc2)n1 ZINC000568799887 322223127 /nfs/dbraw/zinc/22/31/27/322223127.db2.gz GJMONIKKPCCDPE-RHSMWYFYSA-N 2 1 299.418 3.114 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000569802336 322257455 /nfs/dbraw/zinc/25/74/55/322257455.db2.gz UATBAMWUOHOMJO-SNVBAGLBSA-N 2 1 290.329 3.077 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000570058874 322264156 /nfs/dbraw/zinc/26/41/56/322264156.db2.gz KONHQRJUTSULDV-HZMVEIRTSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000570058874 322264157 /nfs/dbraw/zinc/26/41/57/322264157.db2.gz KONHQRJUTSULDV-HZMVEIRTSA-N 2 1 264.457 3.275 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)ccn1 ZINC000570468043 322274120 /nfs/dbraw/zinc/27/41/20/322274120.db2.gz OKGNGWQTYSFJTG-OAHLLOKOSA-N 2 1 293.455 3.250 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000570854389 322283976 /nfs/dbraw/zinc/28/39/76/322283976.db2.gz NSTVKRUDIBCYKP-KDOFPFPSSA-N 2 1 290.426 3.221 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000571327768 322295760 /nfs/dbraw/zinc/29/57/60/322295760.db2.gz GJFKLKBZGGTULN-HZPDHXFCSA-N 2 1 252.446 3.441 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572721761 322351176 /nfs/dbraw/zinc/35/11/76/322351176.db2.gz DQQDVOJJDNCSMT-SFHVURJKSA-N 2 1 270.420 3.140 20 0 CGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000572971745 322364034 /nfs/dbraw/zinc/36/40/34/322364034.db2.gz IRPASYPXHDSMED-UHFFFAOYSA-N 2 1 263.429 3.396 20 0 CGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000572971745 322364035 /nfs/dbraw/zinc/36/40/35/322364035.db2.gz IRPASYPXHDSMED-UHFFFAOYSA-N 2 1 263.429 3.396 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000573108366 322370829 /nfs/dbraw/zinc/37/08/29/322370829.db2.gz XTFGDSXWHJOIKZ-RNCFNFMXSA-N 2 1 258.768 3.113 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000573228806 322376877 /nfs/dbraw/zinc/37/68/77/322376877.db2.gz AWLVGEUWZMUSMC-UHOSZYNNSA-N 2 1 298.474 3.489 20 0 CGADMP C[C@@H]1CC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000575172797 322476635 /nfs/dbraw/zinc/47/66/35/322476635.db2.gz GZQKQOWJXMLEMV-GZOSKZMVSA-N 2 1 288.435 3.025 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582467026 329088378 /nfs/dbraw/zinc/08/83/78/329088378.db2.gz JLGRSPXQHCNRST-TWMKSMIVSA-N 2 1 296.499 3.433 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582467026 329088380 /nfs/dbraw/zinc/08/83/80/329088380.db2.gz JLGRSPXQHCNRST-TWMKSMIVSA-N 2 1 296.499 3.433 20 0 CGADMP Cc1cccc([C@@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000577505629 335361302 /nfs/dbraw/zinc/36/13/02/335361302.db2.gz HMOMLDXIAVHYAX-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1cccc([C@@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000577505629 335361304 /nfs/dbraw/zinc/36/13/04/335361304.db2.gz HMOMLDXIAVHYAX-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000577870425 335415253 /nfs/dbraw/zinc/41/52/53/335415253.db2.gz DXSAMVOQWOAOFF-NXEZZACHSA-N 2 1 266.772 3.302 20 0 CGADMP COCC[NH+]1CCC([NH2+]CC[C@H](C)CCC=C(C)C)CC1 ZINC000194974347 336041594 /nfs/dbraw/zinc/04/15/94/336041594.db2.gz UMJBIJHGUVQVKK-QGZVFWFLSA-N 2 1 296.499 3.459 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000381057710 336047235 /nfs/dbraw/zinc/04/72/35/336047235.db2.gz UKGVYKLPAUQOEQ-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000381057710 336047236 /nfs/dbraw/zinc/04/72/36/336047236.db2.gz UKGVYKLPAUQOEQ-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000581337453 336052426 /nfs/dbraw/zinc/05/24/26/336052426.db2.gz LFMIPGGXCFSSSM-ZWKOTPCHSA-N 2 1 274.452 3.380 20 0 CGADMP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C1CC([NH3+])C1 ZINC000384926156 336134547 /nfs/dbraw/zinc/13/45/47/336134547.db2.gz RTFSVLOVMDTABH-UHFFFAOYSA-N 2 1 296.414 3.187 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000385717764 336154897 /nfs/dbraw/zinc/15/48/97/336154897.db2.gz MHERPHXDSYWVPA-FVQBIDKESA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000385717764 336154899 /nfs/dbraw/zinc/15/48/99/336154899.db2.gz MHERPHXDSYWVPA-FVQBIDKESA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@H](C)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000387244811 336190477 /nfs/dbraw/zinc/19/04/77/336190477.db2.gz PGVMMYPWSZQJKW-JKSUJKDBSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423362957 533767352 /nfs/dbraw/zinc/76/73/52/533767352.db2.gz IOMCQZFVZUFBPW-WHCBVINPSA-N 2 1 294.389 3.189 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1C[C@H]1C ZINC000414069069 533851462 /nfs/dbraw/zinc/85/14/62/533851462.db2.gz RGIBPEAANVXZAL-VKJFTORMSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1C[C@H]1C ZINC000414069069 533851470 /nfs/dbraw/zinc/85/14/70/533851470.db2.gz RGIBPEAANVXZAL-VKJFTORMSA-N 2 1 272.436 3.069 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424381025 533877155 /nfs/dbraw/zinc/87/71/55/533877155.db2.gz QKAYJEMNLLMYHR-CQSZACIVSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423326389 533889292 /nfs/dbraw/zinc/88/92/92/533889292.db2.gz KLGQEOOQKOOUPL-NHYWBVRUSA-N 2 1 268.351 3.005 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2ccccc2n1 ZINC000423397051 534006856 /nfs/dbraw/zinc/00/68/56/534006856.db2.gz UIWCUIDEFZHIPC-IPYPFGDCSA-N 2 1 269.392 3.026 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161627455 534234321 /nfs/dbraw/zinc/23/43/21/534234321.db2.gz WQAKGLPHHLCYLE-INIZCTEOSA-N 2 1 290.451 3.131 20 0 CGADMP c1ccc(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173872094 534485533 /nfs/dbraw/zinc/48/55/33/534485533.db2.gz IMRNQLSCFNFXKP-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643975 520415418 /nfs/dbraw/zinc/41/54/18/520415418.db2.gz WCBKFVHBUJBOFI-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cs1 ZINC000423293926 534544453 /nfs/dbraw/zinc/54/44/53/534544453.db2.gz SNPBWHHUJYOWHR-WDEREUQCSA-N 2 1 275.421 3.322 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000087472104 521994255 /nfs/dbraw/zinc/99/42/55/521994255.db2.gz FTOFBRGITRIRJC-NSHDSACASA-N 2 1 285.229 3.051 20 0 CGADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000164201204 523242446 /nfs/dbraw/zinc/24/24/46/523242446.db2.gz NQSDIFZOWYNHHL-FUNVUKJBSA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000164201204 523242454 /nfs/dbraw/zinc/24/24/54/523242454.db2.gz NQSDIFZOWYNHHL-FUNVUKJBSA-N 2 1 282.790 3.194 20 0 CGADMP Cc1c[nH+]ccc1N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000192744415 534711826 /nfs/dbraw/zinc/71/18/26/534711826.db2.gz KQSZPIIXBIHWKO-OAHLLOKOSA-N 2 1 269.392 3.322 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H](C)C1CCCCC1 ZINC000151368591 525434716 /nfs/dbraw/zinc/43/47/16/525434716.db2.gz FQQHYMMFTPUTLB-HZPDHXFCSA-N 2 1 296.499 3.028 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157575590 526417381 /nfs/dbraw/zinc/41/73/81/526417381.db2.gz FVOURYPDFUAHAK-QZTJIDSGSA-N 2 1 270.420 3.280 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423324262 527782545 /nfs/dbraw/zinc/78/25/45/527782545.db2.gz KJWRKYVVVCIJBU-KGLIPLIRSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423324265 527782559 /nfs/dbraw/zinc/78/25/59/527782559.db2.gz KJWRKYVVVCIJBU-ZIAGYGMSSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532754 527804896 /nfs/dbraw/zinc/80/48/96/527804896.db2.gz RUSBGCYAJMYZTK-HYVNUMGLSA-N 2 1 260.425 3.156 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449087410 527815550 /nfs/dbraw/zinc/81/55/50/527815550.db2.gz FRRKFXFCVLYUCP-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc32)[C@H](C)C1 ZINC000449361225 527879122 /nfs/dbraw/zinc/87/91/22/527879122.db2.gz IVNKHKBXNQAEIG-FMKPAKJESA-N 2 1 290.476 3.196 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C2CCCCC2)CC1 ZINC000177398303 527954303 /nfs/dbraw/zinc/95/43/03/527954303.db2.gz XLDATVXWNBRLAJ-MRXNPFEDSA-N 2 1 296.499 3.434 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC1 ZINC000415079843 527986268 /nfs/dbraw/zinc/98/62/68/527986268.db2.gz IOPPTCGWPLLXTJ-CVEARBPZSA-N 2 1 258.409 3.260 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423324045 528164336 /nfs/dbraw/zinc/16/43/36/528164336.db2.gz JZQVTBVQHDCDNX-AWEZNQCLSA-N 2 1 276.424 3.253 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000363846326 528238039 /nfs/dbraw/zinc/23/80/39/528238039.db2.gz CERYIANYPPBAKO-IKGGRYGDSA-N 2 1 273.424 3.139 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CCC2)CC1 ZINC000173549778 528339589 /nfs/dbraw/zinc/33/95/89/528339589.db2.gz UIGOXTIBNGGURE-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423271837 528534335 /nfs/dbraw/zinc/53/43/35/528534335.db2.gz JLEAXNXGZZZLRT-LSDHHAIUSA-N 2 1 266.816 3.290 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423493922 528590493 /nfs/dbraw/zinc/59/04/93/528590493.db2.gz RJJGAOYLRHFAND-HZPDHXFCSA-N 2 1 296.842 3.005 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000423295209 528821997 /nfs/dbraw/zinc/82/19/97/528821997.db2.gz DPZLUDKXFPZXQQ-ROUUACIJSA-N 2 1 274.452 3.423 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000423297278 528955260 /nfs/dbraw/zinc/95/52/60/528955260.db2.gz JPXWTENFHAOFQU-CVEARBPZSA-N 2 1 292.423 3.031 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000436280539 529085347 /nfs/dbraw/zinc/08/53/47/529085347.db2.gz KZZMMPJMVDATIQ-QGZVFWFLSA-N 2 1 296.499 3.295 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358510466 529179159 /nfs/dbraw/zinc/17/91/59/529179159.db2.gz RQSKSMMKRMOPHH-MRXNPFEDSA-N 2 1 276.399 3.352 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(OC)c1 ZINC000423498463 529202005 /nfs/dbraw/zinc/20/20/05/529202005.db2.gz BCUPAQVMSIAGDW-SJORKVTESA-N 2 1 276.424 3.253 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423280948 529206348 /nfs/dbraw/zinc/20/63/48/529206348.db2.gz TZXQDJOFKKUYOW-ZIAGYGMSSA-N 2 1 252.789 3.118 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423178433 529257911 /nfs/dbraw/zinc/25/79/11/529257911.db2.gz GABIWXPHEDAXPM-LBPRGKRZSA-N 2 1 264.438 3.201 20 0 CGADMP CC[C@H]1C[C@@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)CCO1 ZINC000359463215 529317449 /nfs/dbraw/zinc/31/74/49/529317449.db2.gz YYZPDYFMEMPBGK-ROUUACIJSA-N 2 1 290.451 3.043 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000514245488 535510675 /nfs/dbraw/zinc/51/06/75/535510675.db2.gz YRJONTGPPHKPQF-KRWDZBQOSA-N 2 1 290.451 3.119 20 0 CGADMP CC[C@@H](CSC)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000091099801 535767032 /nfs/dbraw/zinc/76/70/32/535767032.db2.gz QWLILBOIWGEQRM-AWEZNQCLSA-N 2 1 269.458 3.045 20 0 CGADMP CC[C@@H](CSC)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000091099801 535767037 /nfs/dbraw/zinc/76/70/37/535767037.db2.gz QWLILBOIWGEQRM-AWEZNQCLSA-N 2 1 269.458 3.045 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000453595640 536338942 /nfs/dbraw/zinc/33/89/42/536338942.db2.gz KHVDKRUCQDIGMB-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)cs2)C1 ZINC000459786869 536383875 /nfs/dbraw/zinc/38/38/75/536383875.db2.gz PPMBGYFUVLNAFJ-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP COC1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000483283778 536628227 /nfs/dbraw/zinc/62/82/27/536628227.db2.gz ZHMJCROHNGHDGU-QGZVFWFLSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@H+](CCc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000258822378 572328882 /nfs/dbraw/zinc/32/88/82/572328882.db2.gz LOTPOUJKZUWMFV-UHFFFAOYSA-N 2 1 256.393 3.051 20 0 CGADMP C[N@@H+](CCc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000258822378 572328891 /nfs/dbraw/zinc/32/88/91/572328891.db2.gz LOTPOUJKZUWMFV-UHFFFAOYSA-N 2 1 256.393 3.051 20 0 CGADMP Clc1c[nH+]ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307036804 572347860 /nfs/dbraw/zinc/34/78/60/572347860.db2.gz ZEAZLXYINBCQOY-AWEZNQCLSA-N 2 1 287.794 3.421 20 0 CGADMP Clc1c[nH+]ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000307036804 572347862 /nfs/dbraw/zinc/34/78/62/572347862.db2.gz ZEAZLXYINBCQOY-AWEZNQCLSA-N 2 1 287.794 3.421 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261540915 572525412 /nfs/dbraw/zinc/52/54/12/572525412.db2.gz AOPPRHXUFGODNS-FZMZJTMJSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261540915 572525413 /nfs/dbraw/zinc/52/54/13/572525413.db2.gz AOPPRHXUFGODNS-FZMZJTMJSA-N 2 1 252.789 3.072 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250702199 572530155 /nfs/dbraw/zinc/53/01/55/572530155.db2.gz UZPQDRDHEVLTOQ-SJORKVTESA-N 2 1 272.436 3.181 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C)C[C@@H]1C ZINC000749118119 572989469 /nfs/dbraw/zinc/98/94/69/572989469.db2.gz ZHFVSAPLFNTNSC-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC(C)(C)C1 ZINC000090721253 618153236 /nfs/dbraw/zinc/15/32/36/618153236.db2.gz PIHXUNABCXDRDM-GBJTYRQASA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC(C)(C)C1 ZINC000090721253 618153239 /nfs/dbraw/zinc/15/32/39/618153239.db2.gz PIHXUNABCXDRDM-GBJTYRQASA-N 2 1 252.446 3.274 20 0 CGADMP c1csc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835711 618207983 /nfs/dbraw/zinc/20/79/83/618207983.db2.gz FSLLYXZOOWUNHG-OAHLLOKOSA-N 2 1 278.465 3.098 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC000892106173 618534418 /nfs/dbraw/zinc/53/44/18/618534418.db2.gz SFNZZIDIJTXNRL-BLLLJJGKSA-N 2 1 296.842 3.208 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC000892106173 618534423 /nfs/dbraw/zinc/53/44/23/618534423.db2.gz SFNZZIDIJTXNRL-BLLLJJGKSA-N 2 1 296.842 3.208 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC000892106173 618534428 /nfs/dbraw/zinc/53/44/28/618534428.db2.gz SFNZZIDIJTXNRL-BLLLJJGKSA-N 2 1 296.842 3.208 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC000892106173 618534433 /nfs/dbraw/zinc/53/44/33/618534433.db2.gz SFNZZIDIJTXNRL-BLLLJJGKSA-N 2 1 296.842 3.208 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CCCOC)CCC2)[C@H](C)C1 ZINC000892106392 618535038 /nfs/dbraw/zinc/53/50/38/618535038.db2.gz UVQFRLDXXIPHNE-IAGOWNOFSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CCCOC)CCC2)[C@H](C)C1 ZINC000892106392 618535048 /nfs/dbraw/zinc/53/50/48/618535048.db2.gz UVQFRLDXXIPHNE-IAGOWNOFSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CCCOC)CCC2)[C@H](C)C1 ZINC000892106392 618535058 /nfs/dbraw/zinc/53/50/58/618535058.db2.gz UVQFRLDXXIPHNE-IAGOWNOFSA-N 2 1 296.499 3.245 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2CCC([NH3+])CC2)c(C)c1 ZINC000091844409 618737275 /nfs/dbraw/zinc/73/72/75/618737275.db2.gz ICMZOHRLVJNHIJ-UHFFFAOYSA-N 2 1 260.425 3.314 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000235838598 618830356 /nfs/dbraw/zinc/83/03/56/618830356.db2.gz NLCFKHBSWPUATJ-MRXNPFEDSA-N 2 1 260.425 3.173 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738907 618854473 /nfs/dbraw/zinc/85/44/73/618854473.db2.gz NFMIXFTZDBLIIF-MLGOLLRUSA-N 2 1 291.439 3.064 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926738907 618854474 /nfs/dbraw/zinc/85/44/74/618854474.db2.gz NFMIXFTZDBLIIF-MLGOLLRUSA-N 2 1 291.439 3.064 20 0 CGADMP COc1ccnc([C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000924573544 618856312 /nfs/dbraw/zinc/85/63/12/618856312.db2.gz QDQPEJRKHPCMFP-HUUCEWRRSA-N 2 1 291.439 3.005 20 0 CGADMP COC1CCC(C[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000892571495 618864672 /nfs/dbraw/zinc/86/46/72/618864672.db2.gz YGONIXKNNYCCID-XNIRIUNOSA-N 2 1 282.472 3.044 20 0 CGADMP COC1CCC(C[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000892571495 618864674 /nfs/dbraw/zinc/86/46/74/618864674.db2.gz YGONIXKNNYCCID-XNIRIUNOSA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000892585734 618867706 /nfs/dbraw/zinc/86/77/06/618867706.db2.gz WXZVOUXTGIYHOW-CQSZACIVSA-N 2 1 280.412 3.032 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309654155 618931871 /nfs/dbraw/zinc/93/18/71/618931871.db2.gz AZPQTGISGAJDFR-NJAFHUGGSA-N 2 1 272.436 3.287 20 0 CGADMP COc1ccc([C@@H](C)CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925517337 619010483 /nfs/dbraw/zinc/01/04/83/619010483.db2.gz NQFFHOWSSQIOPN-WMLDXEAASA-N 2 1 288.435 3.063 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000925713197 619158439 /nfs/dbraw/zinc/15/84/39/619158439.db2.gz WQWUSERKLLBPKQ-LSDHHAIUSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(C(F)(F)F)nc1 ZINC000925731449 619204259 /nfs/dbraw/zinc/20/42/59/619204259.db2.gz KSCAIQAWVBCGPN-XHVZSJERSA-N 2 1 299.340 3.021 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)C(F)(F)F ZINC000925733690 619208625 /nfs/dbraw/zinc/20/86/25/619208625.db2.gz LJORPCKTYKFXGM-SNVBAGLBSA-N 2 1 266.351 3.085 20 0 CGADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CC1 ZINC000093678118 619209178 /nfs/dbraw/zinc/20/91/78/619209178.db2.gz IYUAEOKGJCXZMH-MQVJKMGUSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925791960 619250818 /nfs/dbraw/zinc/25/08/18/619250818.db2.gz DIULWUPPORRACZ-QGZVFWFLSA-N 2 1 296.499 3.196 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925810483 619258687 /nfs/dbraw/zinc/25/86/87/619258687.db2.gz ALGIBOWTQCHMBU-IIAWOOMASA-N 2 1 273.424 3.313 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000925010189 619489504 /nfs/dbraw/zinc/48/95/04/619489504.db2.gz LGJYDJPTYXZTQE-KBPBESRZSA-N 2 1 272.392 3.425 20 0 CGADMP CC(C)(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000925056608 619513394 /nfs/dbraw/zinc/51/33/94/619513394.db2.gz GVNPDVJGUQIZBY-DLBZAZTESA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1N)[NH+](C)C ZINC000895290902 619796430 /nfs/dbraw/zinc/79/64/30/619796430.db2.gz VVKDRVXEKJZJQD-SECBINFHSA-N 2 1 290.238 3.005 20 0 CGADMP C[C@H](CC[NH2+]Cc1cscc1C(F)(F)F)[NH+](C)C ZINC000895293080 619796793 /nfs/dbraw/zinc/79/67/93/619796793.db2.gz JJRJPRBTGVBAGP-SECBINFHSA-N 2 1 280.359 3.197 20 0 CGADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895377625 619816419 /nfs/dbraw/zinc/81/64/19/619816419.db2.gz OEFSJZPHIJOTJI-GXTWGEPZSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ncsc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895377625 619816421 /nfs/dbraw/zinc/81/64/21/619816421.db2.gz OEFSJZPHIJOTJI-GXTWGEPZSA-N 2 1 281.469 3.004 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895669779 619868846 /nfs/dbraw/zinc/86/88/46/619868846.db2.gz BYOPZDGVGKSICB-CQSZACIVSA-N 2 1 278.465 3.239 20 0 CGADMP c1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC000895793219 619886459 /nfs/dbraw/zinc/88/64/59/619886459.db2.gz UFAZFDNSAMDGNT-RBUKOAKNSA-N 2 1 296.414 3.234 20 0 CGADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC000895793219 619886461 /nfs/dbraw/zinc/88/64/61/619886461.db2.gz UFAZFDNSAMDGNT-RBUKOAKNSA-N 2 1 296.414 3.234 20 0 CGADMP c1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC000895793219 619886463 /nfs/dbraw/zinc/88/64/63/619886463.db2.gz UFAZFDNSAMDGNT-RBUKOAKNSA-N 2 1 296.414 3.234 20 0 CGADMP c1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC000895793219 619886465 /nfs/dbraw/zinc/88/64/65/619886465.db2.gz UFAZFDNSAMDGNT-RBUKOAKNSA-N 2 1 296.414 3.234 20 0 CGADMP CCCCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000897936179 620452299 /nfs/dbraw/zinc/45/22/99/620452299.db2.gz PWUHQIWVAMLPAZ-UHFFFAOYSA-N 2 1 267.442 3.017 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898018085 620467731 /nfs/dbraw/zinc/46/77/31/620467731.db2.gz YXCHDAAUQPORNC-LBPRGKRZSA-N 2 1 283.366 3.063 20 0 CGADMP Cl/C=C/C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000898434015 620587060 /nfs/dbraw/zinc/58/70/60/620587060.db2.gz RLYWNNVZRRQENB-RUDMXATFSA-N 2 1 256.821 3.126 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc(F)c2)CC1(C)C ZINC000898446147 620589166 /nfs/dbraw/zinc/58/91/66/620589166.db2.gz YTXRZDCNFGDZMM-OAHLLOKOSA-N 2 1 294.414 3.057 20 0 CGADMP CCNc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000902198601 621192778 /nfs/dbraw/zinc/19/27/78/621192778.db2.gz FYKRSEBYKCBMLT-INIZCTEOSA-N 2 1 289.467 3.328 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344428 621256693 /nfs/dbraw/zinc/25/66/93/621256693.db2.gz CBBUQPNESHLOLG-IRXDYDNUSA-N 3 1 295.515 3.009 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000902406974 621292540 /nfs/dbraw/zinc/29/25/40/621292540.db2.gz ONIUHKZOBWFMQS-GXTWGEPZSA-N 2 1 298.352 3.422 20 0 CGADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902412771 621302118 /nfs/dbraw/zinc/30/21/18/621302118.db2.gz DMDVRLYRQUZYKA-OAHLLOKOSA-N 2 1 280.843 3.378 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)CCO2 ZINC000902403548 621308198 /nfs/dbraw/zinc/30/81/98/621308198.db2.gz IJLUDVSGXLLCEC-PJSAGSTRSA-N 2 1 294.398 3.417 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)c2cccc(Br)c21 ZINC000902418027 621310777 /nfs/dbraw/zinc/31/07/77/621310777.db2.gz ULRJFWZKOQEEOE-CABZTGNLSA-N 2 1 295.224 3.078 20 0 CGADMP [NH3+]C1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000902414595 621323898 /nfs/dbraw/zinc/32/38/98/621323898.db2.gz YBUJLOJYSAZCDZ-ZDUSSCGKSA-N 2 1 284.325 3.237 20 0 CGADMP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC000902461537 621335878 /nfs/dbraw/zinc/33/58/78/621335878.db2.gz OLPAMWXNJPSYCF-USACIQFYSA-N 2 1 290.838 3.459 20 0 CGADMP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466817 621338590 /nfs/dbraw/zinc/33/85/90/621338590.db2.gz NGABANCBSPAUCR-AEJXEGCDSA-N 2 1 290.838 3.459 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902790373 621448673 /nfs/dbraw/zinc/44/86/73/621448673.db2.gz PYODGYCDPSPBLN-DOTOQJQBSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902790373 621448680 /nfs/dbraw/zinc/44/86/80/621448680.db2.gz PYODGYCDPSPBLN-DOTOQJQBSA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902993963 621515165 /nfs/dbraw/zinc/51/51/65/621515165.db2.gz ZKGQDVVZKIDOKB-KBAYOESNSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902993963 621515172 /nfs/dbraw/zinc/51/51/72/621515172.db2.gz ZKGQDVVZKIDOKB-KBAYOESNSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902993962 621515631 /nfs/dbraw/zinc/51/56/31/621515631.db2.gz ZKGQDVVZKIDOKB-JQHSSLGASA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902993962 621515632 /nfs/dbraw/zinc/51/56/32/621515632.db2.gz ZKGQDVVZKIDOKB-JQHSSLGASA-N 2 1 296.499 3.290 20 0 CGADMP CCSCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903102878 621575965 /nfs/dbraw/zinc/57/59/65/621575965.db2.gz BUYWAWJNADBWMZ-WPXLMEDKSA-N 2 1 282.497 3.266 20 0 CGADMP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903158342 621603232 /nfs/dbraw/zinc/60/32/32/621603232.db2.gz IMFHXFXXGUAPBG-LQDVMPOASA-N 2 1 280.481 3.020 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903425303 621742177 /nfs/dbraw/zinc/74/21/77/621742177.db2.gz ZUHPONNCTDHIOP-OWCLPIDISA-N 2 1 296.405 3.341 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903430658 621743787 /nfs/dbraw/zinc/74/37/87/621743787.db2.gz ZZPQHRVZUJPTAA-PVAVHDDUSA-N 2 1 258.409 3.259 20 0 CGADMP CCc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000903422886 621750822 /nfs/dbraw/zinc/75/08/22/621750822.db2.gz LOCGCYMPEASEJI-CQSZACIVSA-N 2 1 268.404 3.183 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903476342 621763779 /nfs/dbraw/zinc/76/37/79/621763779.db2.gz URNBZPIOUHPYSZ-SFHVURJKSA-N 2 1 285.435 3.365 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1cccc(F)c1F ZINC000903757067 621803757 /nfs/dbraw/zinc/80/37/57/621803757.db2.gz BFGRZHZZLRGZDQ-NWDGAFQWSA-N 2 1 268.351 3.005 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cccc(Cl)n2)CCC1 ZINC000903815569 621809483 /nfs/dbraw/zinc/80/94/83/621809483.db2.gz ROZFTGYDWNXYFQ-CQSZACIVSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cccc(Cl)n2)CCC1 ZINC000903815569 621809486 /nfs/dbraw/zinc/80/94/86/621809486.db2.gz ROZFTGYDWNXYFQ-CQSZACIVSA-N 2 1 293.842 3.219 20 0 CGADMP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903864130 621822367 /nfs/dbraw/zinc/82/23/67/621822367.db2.gz RZXLBIYIJRATEA-SFHVURJKSA-N 2 1 266.388 3.168 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903864130 621822369 /nfs/dbraw/zinc/82/23/69/621822369.db2.gz RZXLBIYIJRATEA-SFHVURJKSA-N 2 1 266.388 3.168 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C1CC1)C1CCCCC1 ZINC000903882707 621826158 /nfs/dbraw/zinc/82/61/58/621826158.db2.gz AHWRGLOZSKNBJQ-GOOCMWNKSA-N 2 1 262.441 3.314 20 0 CGADMP C[C@H]1CCC[C@H](C)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903894875 621828393 /nfs/dbraw/zinc/82/83/93/621828393.db2.gz GXYFTKPBQFUYKZ-MGLUKCQKSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903910955 621832141 /nfs/dbraw/zinc/83/21/41/621832141.db2.gz TYKKEQVUGYPWFH-SCDLOJPASA-N 2 1 284.447 3.315 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903912937 621832792 /nfs/dbraw/zinc/83/27/92/621832792.db2.gz KMBFGDMPZWOOOH-ZNXRZULTSA-N 2 1 272.436 3.266 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000903959125 621836920 /nfs/dbraw/zinc/83/69/20/621836920.db2.gz AWSCLYLPRJCWQA-LJQANCHMSA-N 2 1 295.430 3.200 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299824 621901205 /nfs/dbraw/zinc/90/12/05/621901205.db2.gz PDMDICFKTFKFRS-ZYHUDNBSSA-N 2 1 286.341 3.323 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299824 621901210 /nfs/dbraw/zinc/90/12/10/621901210.db2.gz PDMDICFKTFKFRS-ZYHUDNBSSA-N 2 1 286.341 3.323 20 0 CGADMP C[N@H+](Cc1cc2ccccc2o1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904325348 621907466 /nfs/dbraw/zinc/90/74/66/621907466.db2.gz XHLBFGPFJYAGSD-KRWDZBQOSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2o1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904325348 621907469 /nfs/dbraw/zinc/90/74/69/621907469.db2.gz XHLBFGPFJYAGSD-KRWDZBQOSA-N 2 1 272.392 3.254 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@H](CC[NH3+])C3)oc2cc1C ZINC000904405629 621917876 /nfs/dbraw/zinc/91/78/76/621917876.db2.gz LNTJOVIKCZKXCZ-CQSZACIVSA-N 2 1 272.392 3.220 20 0 CGADMP c1ncc(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)o1 ZINC000906519475 622242303 /nfs/dbraw/zinc/24/23/03/622242303.db2.gz AMKMBSRUXBOZHI-IRXDYDNUSA-N 2 1 297.402 3.058 20 0 CGADMP c1ncc(-c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)o1 ZINC000906519475 622242306 /nfs/dbraw/zinc/24/23/06/622242306.db2.gz AMKMBSRUXBOZHI-IRXDYDNUSA-N 2 1 297.402 3.058 20 0 CGADMP C[N@@H+](Cc1cccc(Br)c1)C1CCC([NH3+])CC1 ZINC000055144469 622813946 /nfs/dbraw/zinc/81/39/46/622813946.db2.gz WAARBEAYUIIMKE-UHFFFAOYSA-N 2 1 297.240 3.151 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929748535 623552656 /nfs/dbraw/zinc/55/26/56/623552656.db2.gz JYACFTYLIPLQCJ-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921496373 624597297 /nfs/dbraw/zinc/59/72/97/624597297.db2.gz SWGVPNUGDRBHMI-XMTFNYHQSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000921475510 624598826 /nfs/dbraw/zinc/59/88/26/624598826.db2.gz AFBDLJXLILVKMI-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)sc1C(C)(C)C ZINC000923349570 626148268 /nfs/dbraw/zinc/14/82/68/626148268.db2.gz UJZNCXJHXAHKDE-CYBMUJFWSA-N 2 1 295.496 3.310 20 0 CGADMP c1cncc([C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923372766 626150000 /nfs/dbraw/zinc/15/00/00/626150000.db2.gz JEHDDUYWRGLQOW-NXCDMZCRSA-N 2 1 285.435 3.139 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000923492462 626157553 /nfs/dbraw/zinc/15/75/53/626157553.db2.gz OXIKLCDDTZZSOZ-ZDUSSCGKSA-N 2 1 298.883 3.493 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000923491744 626157828 /nfs/dbraw/zinc/15/78/28/626157828.db2.gz MODNLSMWKIDUSG-LBPRGKRZSA-N 2 1 286.391 3.172 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491760 626157959 /nfs/dbraw/zinc/15/79/59/626157959.db2.gz UBUMESMNPQAWRR-CABCVRRESA-N 2 1 289.467 3.184 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000923493638 626158764 /nfs/dbraw/zinc/15/87/64/626158764.db2.gz UJJYKBHHJPPNAI-GFCCVEGCSA-N 2 1 284.856 3.103 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499300 626159766 /nfs/dbraw/zinc/15/97/66/626159766.db2.gz RZVZKCQFKUIGQC-MBNYWOFBSA-N 2 1 298.377 3.266 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000838919082 626278619 /nfs/dbraw/zinc/27/86/19/626278619.db2.gz CYQUNGHLPQMSQK-CYBMUJFWSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000838919083 626278811 /nfs/dbraw/zinc/27/88/11/626278811.db2.gz CYQUNGHLPQMSQK-ZDUSSCGKSA-N 2 1 276.399 3.146 20 0 CGADMP CC1(C)CC([NH2+]Cc2ccc(Cl)nc2)CC(C)(C)[NH2+]1 ZINC000751503049 626393591 /nfs/dbraw/zinc/39/35/91/626393591.db2.gz JNZMZPLVUQHHQC-UHFFFAOYSA-N 2 1 281.831 3.134 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000764966847 627234524 /nfs/dbraw/zinc/23/45/24/627234524.db2.gz OTTWSINLRVSLBK-QGTPRVQTSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000764966847 627234526 /nfs/dbraw/zinc/23/45/26/627234526.db2.gz OTTWSINLRVSLBK-QGTPRVQTSA-N 2 1 288.435 3.363 20 0 CGADMP COc1ccc2c(c1)[nH+]ccc2N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000765505258 627254982 /nfs/dbraw/zinc/25/49/82/627254982.db2.gz DWSVZDTXOVFWBS-AWEZNQCLSA-N 2 1 299.418 3.021 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000765790567 627270998 /nfs/dbraw/zinc/27/09/98/627270998.db2.gz GHCQCBVZRVMWIF-KSZLIROESA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000765790567 627271002 /nfs/dbraw/zinc/27/10/02/627271002.db2.gz GHCQCBVZRVMWIF-KSZLIROESA-N 2 1 294.483 3.188 20 0 CGADMP C[NH+](C)CCCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000766997659 627375402 /nfs/dbraw/zinc/37/54/02/627375402.db2.gz AXOGTEMHXUADFU-JLHYYAGUSA-N 2 1 279.255 3.359 20 0 CGADMP FC(F)C1CC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000768677948 627492184 /nfs/dbraw/zinc/49/21/84/627492184.db2.gz ZHJSJBOHTMCNIW-UHFFFAOYSA-N 2 1 294.389 3.068 20 0 CGADMP FC(F)C1CC([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000768677948 627492188 /nfs/dbraw/zinc/49/21/88/627492188.db2.gz ZHJSJBOHTMCNIW-UHFFFAOYSA-N 2 1 294.389 3.068 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630305 628116185 /nfs/dbraw/zinc/11/61/85/628116185.db2.gz YPMNYCUHTPBMAI-KGLIPLIRSA-N 2 1 271.408 3.160 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780291312 628478312 /nfs/dbraw/zinc/47/83/12/628478312.db2.gz ANKSMEVAMPWAOF-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000783220813 628688898 /nfs/dbraw/zinc/68/88/98/628688898.db2.gz BNZYBPBVFJIPDW-YOEHRIQHSA-N 2 1 260.425 3.415 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790049149 629179744 /nfs/dbraw/zinc/17/97/44/629179744.db2.gz MRGUSFNNBOJXTK-HOCLYGCPSA-N 2 1 260.425 3.036 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000125543558 634722034 /nfs/dbraw/zinc/72/20/34/634722034.db2.gz ZVFFNMOXCKEVSX-UHFFFAOYSA-N 2 1 292.814 3.152 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000125543558 634722041 /nfs/dbraw/zinc/72/20/41/634722041.db2.gz ZVFFNMOXCKEVSX-UHFFFAOYSA-N 2 1 292.814 3.152 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000862483864 629385802 /nfs/dbraw/zinc/38/58/02/629385802.db2.gz ZRGCCRYPRMFWOY-CYBMUJFWSA-N 2 1 298.833 3.343 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795926474 629726569 /nfs/dbraw/zinc/72/65/69/629726569.db2.gz GGDLYNLKRNMWHK-RCCFBDPRSA-N 2 1 294.483 3.212 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000795926474 629726574 /nfs/dbraw/zinc/72/65/74/629726574.db2.gz GGDLYNLKRNMWHK-RCCFBDPRSA-N 2 1 294.483 3.212 20 0 CGADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000797595757 629967399 /nfs/dbraw/zinc/96/73/99/629967399.db2.gz GABDBXJPXXSGTA-ZDUSSCGKSA-N 2 1 295.858 3.255 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865409766 630109025 /nfs/dbraw/zinc/10/90/25/630109025.db2.gz UBRKWEIHFREBAQ-UHFFFAOYSA-N 2 1 289.398 3.194 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865409766 630109028 /nfs/dbraw/zinc/10/90/28/630109028.db2.gz UBRKWEIHFREBAQ-UHFFFAOYSA-N 2 1 289.398 3.194 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000865595253 630209061 /nfs/dbraw/zinc/20/90/61/630209061.db2.gz GLCWIQHOOQLDAX-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000817894887 632230541 /nfs/dbraw/zinc/23/05/41/632230541.db2.gz RWOJVWGWWJJMQM-AXFHLTTASA-N 2 1 263.410 3.073 20 0 CGADMP C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1c[nH+]ccc1N ZINC000817936738 632237772 /nfs/dbraw/zinc/23/77/72/632237772.db2.gz MHRDCTVTXFHCSB-JOYOIKCWSA-N 2 1 288.222 3.119 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(Cl)nc1 ZINC000817943482 632241747 /nfs/dbraw/zinc/24/17/47/632241747.db2.gz OPZFSGMPJDUJBO-GFCCVEGCSA-N 2 1 281.831 3.437 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1Cl ZINC000817960916 632256225 /nfs/dbraw/zinc/25/62/25/632256225.db2.gz UGVQWTXKYRDWCU-SNVBAGLBSA-N 2 1 270.804 3.045 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000817961735 632257497 /nfs/dbraw/zinc/25/74/97/632257497.db2.gz BHYVVBHSUAUKKQ-DZGCQCFKSA-N 2 1 264.413 3.253 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000817961139 632257535 /nfs/dbraw/zinc/25/75/35/632257535.db2.gz XRVITFOBDWMETA-ZDUSSCGKSA-N 2 1 294.439 3.010 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccnc(Cl)c1 ZINC000817987183 632275728 /nfs/dbraw/zinc/27/57/28/632275728.db2.gz XLOLMSAIQAKTCW-AAEUAGOBSA-N 2 1 279.815 3.060 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C[C@H](C)O1 ZINC000865804723 632894575 /nfs/dbraw/zinc/89/45/75/632894575.db2.gz GEQOONCXBAQSNI-DFGXFYAUSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C[C@H](C)O1 ZINC000865804723 632894578 /nfs/dbraw/zinc/89/45/78/632894578.db2.gz GEQOONCXBAQSNI-DFGXFYAUSA-N 2 1 294.483 3.329 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2cc(F)ccc2CC[C@H]1C ZINC000866251307 633045324 /nfs/dbraw/zinc/04/53/24/633045324.db2.gz RPTVGONGQYAFEP-SJKOYZFVSA-N 2 1 287.382 3.244 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000866532528 633176534 /nfs/dbraw/zinc/17/65/34/633176534.db2.gz BPDDRXVEQZNVKA-XDQVBPFNSA-N 2 1 290.373 3.203 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCOc2ccccc2)C1 ZINC000866705128 633234568 /nfs/dbraw/zinc/23/45/68/633234568.db2.gz UFAWTWSMERRTFF-GOSISDBHSA-N 2 1 290.451 3.152 20 0 CGADMP CO[C@@H](C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccccc1 ZINC000866706437 633234775 /nfs/dbraw/zinc/23/47/75/633234775.db2.gz BPKJBLMIGPTRPS-FUHWJXTLSA-N 2 1 290.451 3.071 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCSC)CC1 ZINC000880255536 635958928 /nfs/dbraw/zinc/95/89/28/635958928.db2.gz OLJGKNDOUXLIQI-UHFFFAOYSA-N 2 1 270.486 3.080 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872017796 633938149 /nfs/dbraw/zinc/93/81/49/633938149.db2.gz DZFLXLQJPAXUTI-IKGGRYGDSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)CCC(F)(F)F)C1 ZINC000872023344 633943398 /nfs/dbraw/zinc/94/33/98/633943398.db2.gz GCKYULMXHMYBJA-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)CC ZINC000872022429 633943553 /nfs/dbraw/zinc/94/35/53/633943553.db2.gz WOUYTXYZAYVJPD-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872026106 633945600 /nfs/dbraw/zinc/94/56/00/633945600.db2.gz AWVKIRYFDPTIEB-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872026106 633945606 /nfs/dbraw/zinc/94/56/06/633945606.db2.gz AWVKIRYFDPTIEB-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872031171 633950769 /nfs/dbraw/zinc/95/07/69/633950769.db2.gz GWTAWOJQDLPYJE-NEPJUHHUSA-N 2 1 291.370 3.023 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872072658 633994308 /nfs/dbraw/zinc/99/43/08/633994308.db2.gz IEYHHSZIKSUVTP-OAGGEKHMSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872072658 633994314 /nfs/dbraw/zinc/99/43/14/633994314.db2.gz IEYHHSZIKSUVTP-OAGGEKHMSA-N 2 1 284.488 3.290 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872080564 634004353 /nfs/dbraw/zinc/00/43/53/634004353.db2.gz AGTCUHKFVUHBPL-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)[C@@H]2CCC[C@H]21 ZINC000846185197 636155775 /nfs/dbraw/zinc/15/57/75/636155775.db2.gz QOKGMVXQSYWQNN-VQJWOFKYSA-N 2 1 288.838 3.154 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000846218110 636161088 /nfs/dbraw/zinc/16/10/88/636161088.db2.gz JFSZRZWYKWHPST-INIZCTEOSA-N 2 1 264.388 3.482 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000846218468 636161099 /nfs/dbraw/zinc/16/10/99/636161099.db2.gz OTGIYMADHOYANJ-QGZVFWFLSA-N 2 1 278.415 3.352 20 0 CGADMP COCC[C@H](C)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155975 634065583 /nfs/dbraw/zinc/06/55/83/634065583.db2.gz BTSKDBQYSAWDJG-UXLLHSPISA-N 2 1 282.472 3.031 20 0 CGADMP COCC[C@H](C)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155977 634066800 /nfs/dbraw/zinc/06/68/00/634066800.db2.gz BTSKDBQYSAWDJG-ZMSDIMECSA-N 2 1 282.472 3.031 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)on1 ZINC000872156689 634068001 /nfs/dbraw/zinc/06/80/01/634068001.db2.gz LEUNYLMMMZFCHO-WMLDXEAASA-N 2 1 291.439 3.103 20 0 CGADMP c1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872488685 634155503 /nfs/dbraw/zinc/15/55/03/634155503.db2.gz KVFZTEHKTKAXJY-CRAIPNDOSA-N 2 1 297.446 3.412 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873020180 634231775 /nfs/dbraw/zinc/23/17/75/634231775.db2.gz IJJGZSXRCDCAAU-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[C@H](CC[NH2+][C@]12CCC[C@@H]1[NH2+]CC2)c1ccccc1 ZINC000873231014 634293029 /nfs/dbraw/zinc/29/30/29/634293029.db2.gz DKEKPGABEFAAKO-PVAVHDDUSA-N 2 1 258.409 3.054 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1)C1CCCC1 ZINC000873232675 634294519 /nfs/dbraw/zinc/29/45/19/634294519.db2.gz VPZFBRYKCAADMV-ZMSDIMECSA-N 2 1 296.524 3.359 20 0 CGADMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000873246226 634299026 /nfs/dbraw/zinc/29/90/26/634299026.db2.gz TYVJPOVHOWGUFC-TZMCWYRMSA-N 2 1 294.414 3.263 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000873246742 634299333 /nfs/dbraw/zinc/29/93/33/634299333.db2.gz AIEMCGQIXNESQH-NEPJUHHUSA-N 2 1 280.378 3.475 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000876769808 634896570 /nfs/dbraw/zinc/89/65/70/634896570.db2.gz AEPVZUMUSNVHKT-OAHLLOKOSA-N 2 1 284.513 3.326 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000876925141 634929532 /nfs/dbraw/zinc/92/95/32/634929532.db2.gz VFTISHFBVFLURX-SJLPKXTDSA-N 2 1 270.420 3.354 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000876925141 634929537 /nfs/dbraw/zinc/92/95/37/634929537.db2.gz VFTISHFBVFLURX-SJLPKXTDSA-N 2 1 270.420 3.354 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876933724 634931314 /nfs/dbraw/zinc/93/13/14/634931314.db2.gz XLCLDROWVPZCDR-STQMWFEESA-N 2 1 293.282 3.282 20 0 CGADMP C[C@H]1C[C@@H](NCc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000877070855 634971246 /nfs/dbraw/zinc/97/12/46/634971246.db2.gz XGKZLLGPTYZYOU-QWRGUYRKSA-N 2 1 293.798 3.054 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CCN1C ZINC000877070855 634971248 /nfs/dbraw/zinc/97/12/48/634971248.db2.gz XGKZLLGPTYZYOU-QWRGUYRKSA-N 2 1 293.798 3.054 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877115270 634988491 /nfs/dbraw/zinc/98/84/91/634988491.db2.gz JTLATCLUUDIOGJ-OLZOCXBDSA-N 2 1 293.282 3.138 20 0 CGADMP C[NH+](C)CC1(C[NH2+]Cc2cccc(Cl)c2N)CCCC1 ZINC000877348908 635028506 /nfs/dbraw/zinc/02/85/06/635028506.db2.gz SZPBKWPTCQVSOJ-UHFFFAOYSA-N 2 1 295.858 3.134 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccnc1Cl ZINC000840807857 635055761 /nfs/dbraw/zinc/05/57/61/635055761.db2.gz HETQRPNAHYKONF-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[N@@H+](CC1(C)CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877517292 635067082 /nfs/dbraw/zinc/06/70/82/635067082.db2.gz LITWSJWEVYASFJ-YIONKMFJSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1(C)CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877517292 635067085 /nfs/dbraw/zinc/06/70/85/635067085.db2.gz LITWSJWEVYASFJ-YIONKMFJSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1(C)CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877517292 635067089 /nfs/dbraw/zinc/06/70/89/635067089.db2.gz LITWSJWEVYASFJ-YIONKMFJSA-N 2 1 250.430 3.124 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000841009832 635106516 /nfs/dbraw/zinc/10/65/16/635106516.db2.gz HTEJLUPFHHDLPR-CQSZACIVSA-N 2 1 252.377 3.024 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000121507449 635177050 /nfs/dbraw/zinc/17/70/50/635177050.db2.gz AVTSGUCEBDSSPQ-OGHNNQOOSA-N 2 1 294.389 3.415 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000121507760 635177888 /nfs/dbraw/zinc/17/78/88/635177888.db2.gz AVTSGUCEBDSSPQ-PBFPGSCMSA-N 2 1 294.389 3.415 20 0 CGADMP CCSCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767699 635194340 /nfs/dbraw/zinc/19/43/40/635194340.db2.gz UFZSNFQPDHASMG-UHFFFAOYSA-N 2 1 272.502 3.039 20 0 CGADMP Cc1conc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877958695 635289007 /nfs/dbraw/zinc/28/90/07/635289007.db2.gz DJKDKJSLZVTPQT-UHFFFAOYSA-N 2 1 291.439 3.071 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1F ZINC000842473308 635378666 /nfs/dbraw/zinc/37/86/66/635378666.db2.gz UVJCBOUOYODLHC-CXAGYDPISA-N 2 1 294.389 3.491 20 0 CGADMP C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608305 635568269 /nfs/dbraw/zinc/56/82/69/635568269.db2.gz OEKGGMZTSAXEMC-LSVZVQIISA-N 2 1 294.483 3.137 20 0 CGADMP C[NH+](C[C@@H]1CC(C)(C)OC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608305 635568273 /nfs/dbraw/zinc/56/82/73/635568273.db2.gz OEKGGMZTSAXEMC-LSVZVQIISA-N 2 1 294.483 3.137 20 0 CGADMP C[NH+](C[C@@H]1CC(C)(C)OC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608305 635568276 /nfs/dbraw/zinc/56/82/76/635568276.db2.gz OEKGGMZTSAXEMC-LSVZVQIISA-N 2 1 294.483 3.137 20 0 CGADMP C[N@@H+](CCc1c(F)cccc1Cl)C1CCC([NH3+])CC1 ZINC000843355765 635652693 /nfs/dbraw/zinc/65/26/93/635652693.db2.gz WQCRIWVJNYQHRA-UHFFFAOYSA-N 2 1 284.806 3.223 20 0 CGADMP Cc1cccc2c1CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000843358307 635653361 /nfs/dbraw/zinc/65/33/61/635653361.db2.gz JUEMZUKIWSJNFS-UHFFFAOYSA-N 2 1 272.436 3.133 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000879286124 635746707 /nfs/dbraw/zinc/74/67/07/635746707.db2.gz KYAKIENSOSHFDM-UHFFFAOYSA-N 2 1 278.415 3.462 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC/C=C/c3ccccc3)CC[C@H]21 ZINC000879578027 635816220 /nfs/dbraw/zinc/81/62/20/635816220.db2.gz AFRQRIWILTWBMH-JRFZXPOESA-N 2 1 270.420 3.116 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC/C=C/c3ccccc3)CC[C@H]21 ZINC000879578027 635816223 /nfs/dbraw/zinc/81/62/23/635816223.db2.gz AFRQRIWILTWBMH-JRFZXPOESA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC/C=C/c3ccccc3)CC[C@H]21 ZINC000879578027 635816227 /nfs/dbraw/zinc/81/62/27/635816227.db2.gz AFRQRIWILTWBMH-JRFZXPOESA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)CC[C@H]21 ZINC000879578027 635816229 /nfs/dbraw/zinc/81/62/29/635816229.db2.gz AFRQRIWILTWBMH-JRFZXPOESA-N 2 1 270.420 3.116 20 0 CGADMP CC(C)C[N@@H+](CCCCF)CC1CC[NH+](C)CC1 ZINC000879703462 635838643 /nfs/dbraw/zinc/83/86/43/635838643.db2.gz NKIKVRHABVDAIU-UHFFFAOYSA-N 2 1 258.425 3.036 20 0 CGADMP CC1([NH+]2CCCCC2)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000879949421 635885641 /nfs/dbraw/zinc/88/56/41/635885641.db2.gz VGRMXVVVFIGIRQ-MRXNPFEDSA-N 2 1 262.441 3.436 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880204210 635936739 /nfs/dbraw/zinc/93/67/39/635936739.db2.gz SAHSWJAGKMULTB-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880204210 635936742 /nfs/dbraw/zinc/93/67/42/635936742.db2.gz SAHSWJAGKMULTB-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](CCSc2ccccc2)CC1 ZINC000880473176 636007278 /nfs/dbraw/zinc/00/72/78/636007278.db2.gz RRUIJGPBGWGCNX-UHFFFAOYSA-N 2 1 290.476 3.339 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000880475698 636008212 /nfs/dbraw/zinc/00/82/12/636008212.db2.gz HXUZYVIGNDUXLR-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CC[N@@H+](CCCNCc1ccc(F)nc1)C1CCCCC1 ZINC000846022108 636130488 /nfs/dbraw/zinc/13/04/88/636130488.db2.gz JNXOHVYFGLENQV-UHFFFAOYSA-N 2 1 293.430 3.355 20 0 CGADMP CC[N@H+](CCC[NH2+]Cc1ccc(F)nc1)C1CCCCC1 ZINC000846022108 636130490 /nfs/dbraw/zinc/13/04/90/636130490.db2.gz JNXOHVYFGLENQV-UHFFFAOYSA-N 2 1 293.430 3.355 20 0 CGADMP CC[N@@H+](CCC[NH2+]Cc1ccc(F)nc1)C1CCCCC1 ZINC000846022108 636130492 /nfs/dbraw/zinc/13/04/92/636130492.db2.gz JNXOHVYFGLENQV-UHFFFAOYSA-N 2 1 293.430 3.355 20 0 CGADMP ClC1(Cl)C[C@@H]1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000846109874 636145272 /nfs/dbraw/zinc/14/52/72/636145272.db2.gz JYXFWLCSZCJGSW-NSHDSACASA-N 2 1 291.266 3.177 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000846220371 636163605 /nfs/dbraw/zinc/16/36/05/636163605.db2.gz HNKULTHUZJGEGK-KRWDZBQOSA-N 2 1 275.440 3.082 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883027538 636511234 /nfs/dbraw/zinc/51/12/34/636511234.db2.gz FLQCMGMQCXXIEH-VQFNDLOPSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)[C@H](C)C1 ZINC000883194346 636577690 /nfs/dbraw/zinc/57/76/90/636577690.db2.gz UCDHQZFKMIAAMD-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883228381 636599345 /nfs/dbraw/zinc/59/93/45/636599345.db2.gz MATUJLCJJZHOBO-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2ccccc21 ZINC000131596965 636693393 /nfs/dbraw/zinc/69/33/93/636693393.db2.gz AISCJTVHJQCOIY-KBPBESRZSA-N 2 1 254.377 3.009 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1CCCSC1)[N@@H+](C)Cc1ccccc1 ZINC000131656628 636715170 /nfs/dbraw/zinc/71/51/70/636715170.db2.gz WJNNRNJBFAIZME-RDJZCZTQSA-N 2 1 292.492 3.382 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000883423954 636751009 /nfs/dbraw/zinc/75/10/09/636751009.db2.gz ABCOHGCXMJGGSB-RRFJBIMHSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C)CC[NH2+]CC2 ZINC000883433977 636755200 /nfs/dbraw/zinc/75/52/00/636755200.db2.gz DEJNZYJLIAPHFH-GJZGRUSLSA-N 2 1 294.483 3.044 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc2ccccc2nc1Cl ZINC000883441925 636758146 /nfs/dbraw/zinc/75/81/46/636758146.db2.gz ALTIXFCEWMEHRP-KGLIPLIRSA-N 2 1 289.810 3.104 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422499 637056036 /nfs/dbraw/zinc/05/60/36/637056036.db2.gz SDOJIZKMJWRQGF-CQSZACIVSA-N 2 1 288.435 3.147 20 0 CGADMP C1=C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000850509674 637096414 /nfs/dbraw/zinc/09/64/14/637096414.db2.gz PKXAOBBTWBUZIP-CADBVGFASA-N 2 1 282.431 3.490 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCO2 ZINC000850541114 637115069 /nfs/dbraw/zinc/11/50/69/637115069.db2.gz RVXCHMFFHUUKCB-PBHICJAKSA-N 2 1 288.435 3.147 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCSC(F)(F)F)CC1 ZINC000885979716 637341263 /nfs/dbraw/zinc/34/12/63/637341263.db2.gz KTIBUZKSGRTRFG-UHFFFAOYSA-N 2 1 284.391 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000886069947 637398459 /nfs/dbraw/zinc/39/84/59/637398459.db2.gz MQITZTIXCWFVMP-SIXLDLHFSA-N 2 1 264.457 3.085 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000886162395 637443288 /nfs/dbraw/zinc/44/32/88/637443288.db2.gz OMHIOKNENHPXQE-LZLYRXPVSA-N 2 1 294.483 3.331 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000886162395 637443291 /nfs/dbraw/zinc/44/32/91/637443291.db2.gz OMHIOKNENHPXQE-LZLYRXPVSA-N 2 1 294.483 3.331 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886169883 637446409 /nfs/dbraw/zinc/44/64/09/637446409.db2.gz KQLJYJAQHPPYRO-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2cccnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886587977 637593693 /nfs/dbraw/zinc/59/36/93/637593693.db2.gz JEUOQASDJHAMAG-QILLFSRXSA-N 2 1 299.462 3.312 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2cccnc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886587977 637593699 /nfs/dbraw/zinc/59/36/99/637593699.db2.gz JEUOQASDJHAMAG-QILLFSRXSA-N 2 1 299.462 3.312 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886612970 637605728 /nfs/dbraw/zinc/60/57/28/637605728.db2.gz ZQAGXADJCKBQRO-BZUAXINKSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886612970 637605729 /nfs/dbraw/zinc/60/57/29/637605729.db2.gz ZQAGXADJCKBQRO-BZUAXINKSA-N 2 1 270.461 3.044 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@@H]2CCC[C@H]21 ZINC000886658337 637635411 /nfs/dbraw/zinc/63/54/11/637635411.db2.gz YEDQDOKWJUNIDF-FPMFFAJLSA-N 2 1 284.856 3.364 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@@H]2CCC[C@H]21 ZINC000886658337 637635413 /nfs/dbraw/zinc/63/54/13/637635413.db2.gz YEDQDOKWJUNIDF-FPMFFAJLSA-N 2 1 284.856 3.364 20 0 CGADMP CO[C@H](CC(C)C)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886661498 637639363 /nfs/dbraw/zinc/63/93/63/637639363.db2.gz VYTHTNUULKIBDD-MRXNPFEDSA-N 2 1 293.455 3.267 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000886858146 637715368 /nfs/dbraw/zinc/71/53/68/637715368.db2.gz OTFUOFOZQKKWNZ-BFYDXBDKSA-N 2 1 258.409 3.069 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)Cc1cccc(F)c1)[NH+]1CCCC1 ZINC000221975175 637771457 /nfs/dbraw/zinc/77/14/57/637771457.db2.gz RVHQNKCHCRIZKS-CRAIPNDOSA-N 2 1 292.442 3.467 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924618993 638378512 /nfs/dbraw/zinc/37/85/12/638378512.db2.gz CZBWTPYTYDQGKC-VGUREELVSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000924666644 638385540 /nfs/dbraw/zinc/38/55/40/638385540.db2.gz CGDKHRJGNXXKNO-LCMLCXGQSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@H+]1CCC[C@H](C)C1 ZINC000924666644 638385543 /nfs/dbraw/zinc/38/55/43/638385543.db2.gz CGDKHRJGNXXKNO-LCMLCXGQSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688291 638388965 /nfs/dbraw/zinc/38/89/65/638388965.db2.gz SPBCIOKFHRSUOD-KZNAEPCWSA-N 2 1 296.499 3.149 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)C1 ZINC000924704979 638391965 /nfs/dbraw/zinc/39/19/65/638391965.db2.gz JKRLEGXJXHVSFE-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(Sc3ccccc3)C2)CC[N@@H+]1C ZINC000925141129 638459564 /nfs/dbraw/zinc/45/95/64/638459564.db2.gz LCRZJCHLISGOSE-FSOQPWQOSA-N 2 1 290.476 3.382 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(Sc3ccccc3)C2)CC[N@H+]1C ZINC000925141129 638459571 /nfs/dbraw/zinc/45/95/71/638459571.db2.gz LCRZJCHLISGOSE-FSOQPWQOSA-N 2 1 290.476 3.382 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(O)cc(F)c1 ZINC000925222322 638479338 /nfs/dbraw/zinc/47/93/38/638479338.db2.gz RLALZCLPOAMRKX-NILFDRSVSA-N 2 1 280.387 3.055 20 0 CGADMP CC[C@@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925475317 638507338 /nfs/dbraw/zinc/50/73/38/638507338.db2.gz LVVOVAIFNSJOGI-OZSLIKBDSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1 ZINC000925513928 638514983 /nfs/dbraw/zinc/51/49/83/638514983.db2.gz ISKYRJRPKAHYSV-SJKOYZFVSA-N 2 1 258.409 3.101 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000925556042 638527795 /nfs/dbraw/zinc/52/77/95/638527795.db2.gz JNTANVRACQIJEE-URLQWDBASA-N 2 1 296.414 3.231 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000925588935 638538477 /nfs/dbraw/zinc/53/84/77/638538477.db2.gz TUUSIDDNOLNFRN-BBRMVZONSA-N 2 1 293.455 3.310 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000925588935 638538481 /nfs/dbraw/zinc/53/84/81/638538481.db2.gz TUUSIDDNOLNFRN-BBRMVZONSA-N 2 1 293.455 3.310 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@H]2C[C@]2(F)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925706941 638573557 /nfs/dbraw/zinc/57/35/57/638573557.db2.gz PGFNGWAUDIUMJU-AESZEHBQSA-N 2 1 276.399 3.119 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1coc2ccccc21 ZINC000925709119 638574799 /nfs/dbraw/zinc/57/47/99/638574799.db2.gz SJOAKMXARQZVGQ-ZDUSSCGKSA-N 2 1 270.376 3.345 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000925713195 638576555 /nfs/dbraw/zinc/57/65/55/638576555.db2.gz WQWUSERKLLBPKQ-GJZGRUSLSA-N 2 1 250.430 3.053 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917193 638605004 /nfs/dbraw/zinc/60/50/04/638605004.db2.gz WPMVDGPIBYYOOK-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1F ZINC000925782446 638613000 /nfs/dbraw/zinc/61/30/00/638613000.db2.gz LSQNZCUXSIQCTL-BXUZGUMPSA-N 2 1 286.341 3.111 20 0 CGADMP CSC1CCC(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000925801367 638617714 /nfs/dbraw/zinc/61/77/14/638617714.db2.gz JPAMYOYFQQTLTL-PNESKVBLSA-N 2 1 279.453 3.067 20 0 CGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000925824736 638622972 /nfs/dbraw/zinc/62/29/72/638622972.db2.gz VBOIMSZHKYNWHG-JDEYZFBPSA-N 2 1 293.499 3.033 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C12CCC2 ZINC000925825764 638622987 /nfs/dbraw/zinc/62/29/87/638622987.db2.gz JOMYCIPDFJMROF-USXIJHARSA-N 2 1 298.430 3.292 20 0 CGADMP C[C@@H]1Cc2cc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)ccc2O1 ZINC000925834017 638626686 /nfs/dbraw/zinc/62/66/86/638626686.db2.gz UMOJLTDQTTUUMG-OCBCSQNSSA-N 2 1 294.398 3.244 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000858111740 638631380 /nfs/dbraw/zinc/63/13/80/638631380.db2.gz RDLSTIAFHNPMAU-BBRMVZONSA-N 2 1 278.415 3.392 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC1(C)C ZINC000858172088 638649906 /nfs/dbraw/zinc/64/99/06/638649906.db2.gz JLVHHRMGGKUIQW-AAEUAGOBSA-N 2 1 293.282 3.423 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)CC1(C)C ZINC000858417882 638710264 /nfs/dbraw/zinc/71/02/64/638710264.db2.gz FANCHNKDECCVBS-AWEZNQCLSA-N 2 1 259.397 3.244 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)CC1(C)C ZINC000858417882 638710282 /nfs/dbraw/zinc/71/02/82/638710282.db2.gz FANCHNKDECCVBS-AWEZNQCLSA-N 2 1 259.397 3.244 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccnc(Cl)c1 ZINC000858490955 638741115 /nfs/dbraw/zinc/74/11/15/638741115.db2.gz TZTGLLVZRFOYDX-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccnc(Cl)c1 ZINC000858490955 638741117 /nfs/dbraw/zinc/74/11/17/638741117.db2.gz TZTGLLVZRFOYDX-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(C[NH+](C)C)c1 ZINC000926869224 638819250 /nfs/dbraw/zinc/81/92/50/638819250.db2.gz QZUVFJIDKACDME-CYBMUJFWSA-N 2 1 299.418 3.464 20 0 CGADMP CCSc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926923405 638826149 /nfs/dbraw/zinc/82/61/49/638826149.db2.gz PQVHYBIVQFPIMK-GDBMZVCRSA-N 2 1 292.492 3.413 20 0 CGADMP CCc1onc(C)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000929504864 638929161 /nfs/dbraw/zinc/92/91/61/638929161.db2.gz CPPFAUJDQBUZMU-UHFFFAOYSA-N 2 1 293.455 3.098 20 0 CGADMP COC/C(C)=C/C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000929507930 638929476 /nfs/dbraw/zinc/92/94/76/638929476.db2.gz BKSJSOPXOCEIRX-JIARHERNSA-N 2 1 294.483 3.167 20 0 CGADMP COC/C(C)=C/C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000929507930 638929478 /nfs/dbraw/zinc/92/94/78/638929478.db2.gz BKSJSOPXOCEIRX-JIARHERNSA-N 2 1 294.483 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(CCc2cccc(F)c2)C1 ZINC000929779749 638950419 /nfs/dbraw/zinc/95/04/19/638950419.db2.gz OASPBWLNCDSVRM-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(F)c2)C1 ZINC000929779749 638950421 /nfs/dbraw/zinc/95/04/21/638950421.db2.gz OASPBWLNCDSVRM-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(F)c2)C1 ZINC000929779749 638950424 /nfs/dbraw/zinc/95/04/24/638950424.db2.gz OASPBWLNCDSVRM-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000929779749 638950426 /nfs/dbraw/zinc/95/04/26/638950426.db2.gz OASPBWLNCDSVRM-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000929779749 638950428 /nfs/dbraw/zinc/95/04/28/638950428.db2.gz OASPBWLNCDSVRM-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1CF)C2 ZINC000930601911 639036231 /nfs/dbraw/zinc/03/62/31/639036231.db2.gz LQUPIJFKIUEZBU-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1CF)C2 ZINC000930601911 639036235 /nfs/dbraw/zinc/03/62/35/639036235.db2.gz LQUPIJFKIUEZBU-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1CF)C2 ZINC000930601911 639036240 /nfs/dbraw/zinc/03/62/40/639036240.db2.gz LQUPIJFKIUEZBU-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1CF)C2 ZINC000930601911 639036244 /nfs/dbraw/zinc/03/62/44/639036244.db2.gz LQUPIJFKIUEZBU-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP CCCC[N@@H+](CC1(C)COC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034183 639101400 /nfs/dbraw/zinc/10/14/00/639101400.db2.gz PYDUGYPPCYQWIZ-UHFFFAOYSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)CSCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310337 639132724 /nfs/dbraw/zinc/13/27/24/639132724.db2.gz DGVKHYQVIDFMLX-HOTGVXAUSA-N 2 1 284.513 3.039 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CC/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC000931313667 639132884 /nfs/dbraw/zinc/13/28/84/639132884.db2.gz FEKVNPGPUWHGFT-OFIWPEFUSA-N 2 1 284.447 3.364 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1C ZINC000933483620 639451681 /nfs/dbraw/zinc/45/16/81/639451681.db2.gz CGWXNMUFLURWKZ-CQSZACIVSA-N 2 1 287.407 3.021 20 0 CGADMP C(C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934338002 639589260 /nfs/dbraw/zinc/58/92/60/639589260.db2.gz YRQNEQHJTKINNI-QAETUUGQSA-N 2 1 262.441 3.125 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000250592231 640814702 /nfs/dbraw/zinc/81/47/02/640814702.db2.gz HSQOVNCAWVCPBC-LTIDMASMSA-N 2 1 264.457 3.277 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC001253104627 806167845 /nfs/dbraw/zinc/16/78/45/806167845.db2.gz UEHCIPLHHHBVSS-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CC1 ZINC001254499643 806420664 /nfs/dbraw/zinc/42/06/64/806420664.db2.gz LTWVRGPYHQLTHY-INIZCTEOSA-N 2 1 278.415 3.221 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254500454 806420901 /nfs/dbraw/zinc/42/09/01/806420901.db2.gz HAFSAPNHNQTFAV-QGZVFWFLSA-N 2 1 290.451 3.439 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc3ccccc3s2)CC1 ZINC001254500838 806421973 /nfs/dbraw/zinc/42/19/73/806421973.db2.gz MBIACMKZHFIRRS-AWEZNQCLSA-N 2 1 274.433 3.475 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254510239 806429667 /nfs/dbraw/zinc/42/96/67/806429667.db2.gz UDJADEKWQKWKJT-AWEZNQCLSA-N 2 1 266.816 3.222 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@@H]1CCC[N@H+](C)CC1 ZINC001254506078 806424959 /nfs/dbraw/zinc/42/49/59/806424959.db2.gz OTLYGLBQOPCPFD-NVXWUHKLSA-N 2 1 287.451 3.079 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC001254510239 806429669 /nfs/dbraw/zinc/42/96/69/806429669.db2.gz UDJADEKWQKWKJT-AWEZNQCLSA-N 2 1 266.816 3.222 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC23CCC(F)(F)CC3)CC1 ZINC001254507683 806428920 /nfs/dbraw/zinc/42/89/20/806428920.db2.gz FJKAXKITAMHJAF-CHWSQXEVSA-N 2 1 272.383 3.028 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001254512218 806432759 /nfs/dbraw/zinc/43/27/59/806432759.db2.gz KVUXBAKDAWVQSO-ZFWWWQNUSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001254512218 806432761 /nfs/dbraw/zinc/43/27/61/806432761.db2.gz KVUXBAKDAWVQSO-ZFWWWQNUSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]2c2cccs2)CC1 ZINC001254523251 806439616 /nfs/dbraw/zinc/43/96/16/806439616.db2.gz MTCHIHHDTRFZEY-UONOGXRCSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001254523251 806439618 /nfs/dbraw/zinc/43/96/18/806439618.db2.gz MTCHIHHDTRFZEY-UONOGXRCSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001254523251 806439622 /nfs/dbraw/zinc/43/96/22/806439622.db2.gz MTCHIHHDTRFZEY-UONOGXRCSA-N 2 1 264.438 3.369 20 0 CGADMP C[N@H+]([C@@H]1CCC[NH+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001254528260 806441954 /nfs/dbraw/zinc/44/19/54/806441954.db2.gz FQPUWRKTZIWIQB-QGZVFWFLSA-N 2 1 274.452 3.424 20 0 CGADMP C[N@@H+]([C@@H]1CCC[NH+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001254528260 806441959 /nfs/dbraw/zinc/44/19/59/806441959.db2.gz FQPUWRKTZIWIQB-QGZVFWFLSA-N 2 1 274.452 3.424 20 0 CGADMP C[NH+]([C@@H]1CCC[N@H+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001254528260 806441963 /nfs/dbraw/zinc/44/19/63/806441963.db2.gz FQPUWRKTZIWIQB-QGZVFWFLSA-N 2 1 274.452 3.424 20 0 CGADMP C[NH+]([C@@H]1CCC[N@@H+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001254528260 806441969 /nfs/dbraw/zinc/44/19/69/806441969.db2.gz FQPUWRKTZIWIQB-QGZVFWFLSA-N 2 1 274.452 3.424 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(C2)CCCCC3)CC1 ZINC001254533013 806445390 /nfs/dbraw/zinc/44/53/90/806445390.db2.gz IHARPLVGAJHYSC-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC001254533013 806445395 /nfs/dbraw/zinc/44/53/95/806445395.db2.gz IHARPLVGAJHYSC-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001254533013 806445400 /nfs/dbraw/zinc/44/54/00/806445400.db2.gz IHARPLVGAJHYSC-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC001255059244 806534343 /nfs/dbraw/zinc/53/43/43/806534343.db2.gz UVTQENSTBMXJDB-STQMWFEESA-N 2 1 282.453 3.139 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC001255059244 806534346 /nfs/dbraw/zinc/53/43/46/806534346.db2.gz UVTQENSTBMXJDB-STQMWFEESA-N 2 1 282.453 3.139 20 0 CGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CCSCC1 ZINC001255093592 806540841 /nfs/dbraw/zinc/54/08/41/806540841.db2.gz XHUNCVJWWGXHQI-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP CC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135770 806551740 /nfs/dbraw/zinc/55/17/40/806551740.db2.gz FQGBNGMOSZPKGW-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135770 806551744 /nfs/dbraw/zinc/55/17/44/806551744.db2.gz FQGBNGMOSZPKGW-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135770 806551749 /nfs/dbraw/zinc/55/17/49/806551749.db2.gz FQGBNGMOSZPKGW-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP CC(C)[PH+](CCNc1[nH+]cccc1N)C(C)C ZINC001162358361 806563751 /nfs/dbraw/zinc/56/37/51/806563751.db2.gz NQUGWSXUHPVVCF-UHFFFAOYSA-N 2 1 253.330 3.374 20 0 CGADMP Cc1c[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc12 ZINC001162392417 806575317 /nfs/dbraw/zinc/57/53/17/806575317.db2.gz QBKMEZVAZBCUEV-OLZOCXBDSA-N 2 1 255.365 3.225 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(C(C)(C)C)cc[nH+]1 ZINC001162469695 806592389 /nfs/dbraw/zinc/59/23/89/806592389.db2.gz CSRVXAJKJLVYBK-KBPBESRZSA-N 2 1 275.440 3.427 20 0 CGADMP CC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383023 806630832 /nfs/dbraw/zinc/63/08/32/806630832.db2.gz YSKJRIFJXUBMCJ-QGZVFWFLSA-N 2 1 272.436 3.431 20 0 CGADMP CC[NH+](CC)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397356 806633028 /nfs/dbraw/zinc/63/30/28/806633028.db2.gz FPAGWQXPLKSGRM-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)CC(F)(F)F ZINC001255635185 806685861 /nfs/dbraw/zinc/68/58/61/806685861.db2.gz SBIPWZXCOWMWIY-LLVKDONJSA-N 2 1 254.340 3.039 20 0 CGADMP C=Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255667502 806700125 /nfs/dbraw/zinc/70/01/25/806700125.db2.gz JUXZSSFNZQIWGX-AYHJJNSGSA-N 2 1 270.420 3.435 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001255673431 806701615 /nfs/dbraw/zinc/70/16/15/806701615.db2.gz AAHVLIZECFJKBA-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001255673431 806701622 /nfs/dbraw/zinc/70/16/22/806701622.db2.gz AAHVLIZECFJKBA-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001255673431 806701629 /nfs/dbraw/zinc/70/16/29/806701629.db2.gz AAHVLIZECFJKBA-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001255673431 806701635 /nfs/dbraw/zinc/70/16/35/806701635.db2.gz AAHVLIZECFJKBA-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000086675462 798945826 /nfs/dbraw/zinc/94/58/26/798945826.db2.gz WLICQFNSDLNTEQ-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522177 798969565 /nfs/dbraw/zinc/96/95/65/798969565.db2.gz BPPDTQUSRFVMSC-UKRRQHHQSA-N 2 1 258.409 3.123 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000300242799 799203330 /nfs/dbraw/zinc/20/33/30/799203330.db2.gz FVINJDXICKHCQP-SMDDNHRTSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000300242799 799203332 /nfs/dbraw/zinc/20/33/32/799203332.db2.gz FVINJDXICKHCQP-SMDDNHRTSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CSc1ccc(C)cc1 ZINC001255750405 806733320 /nfs/dbraw/zinc/73/33/20/806733320.db2.gz OSASWUVNHQDQON-AWEZNQCLSA-N 2 1 289.448 3.270 20 0 CGADMP C[C@]1(C[NH2+]Cc2ccoc2)CC[N@H+](Cc2ccccc2)C1 ZINC000380956267 799369610 /nfs/dbraw/zinc/36/96/10/799369610.db2.gz USQPKAXOAKZZHU-GOSISDBHSA-N 2 1 284.403 3.281 20 0 CGADMP C[C@]1(C[NH2+]Cc2ccoc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380956267 799369614 /nfs/dbraw/zinc/36/96/14/799369614.db2.gz USQPKAXOAKZZHU-GOSISDBHSA-N 2 1 284.403 3.281 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC001163362716 806747964 /nfs/dbraw/zinc/74/79/64/806747964.db2.gz NGUMYCSMNUSJMP-HUUCEWRRSA-N 2 1 261.413 3.229 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC001163362716 806747970 /nfs/dbraw/zinc/74/79/70/806747970.db2.gz NGUMYCSMNUSJMP-HUUCEWRRSA-N 2 1 261.413 3.229 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](Nc2ccc3c([nH+]2)CCC3)[C@@H](C)C1 ZINC001163362992 806747693 /nfs/dbraw/zinc/74/76/93/806747693.db2.gz OYAOHSSTYHKGPW-ZFWWWQNUSA-N 2 1 273.424 3.101 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2ccc3c([nH+]2)CCC3)[C@@H](C)C1 ZINC001163362992 806747694 /nfs/dbraw/zinc/74/76/94/806747694.db2.gz OYAOHSSTYHKGPW-ZFWWWQNUSA-N 2 1 273.424 3.101 20 0 CGADMP Cc1ccc(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)[nH+]c1C ZINC001163362386 806748012 /nfs/dbraw/zinc/74/80/12/806748012.db2.gz MZHJBVZIIPTQSL-ZFWWWQNUSA-N 2 1 261.413 3.229 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163395693 806757945 /nfs/dbraw/zinc/75/79/45/806757945.db2.gz WWZHHAYMRUFDDL-IBGZPJMESA-N 2 1 299.462 3.491 20 0 CGADMP CO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000453065904 799631141 /nfs/dbraw/zinc/63/11/41/799631141.db2.gz VVHDSLMFZRPDNT-GVDBMIGSSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687964931 799743818 /nfs/dbraw/zinc/74/38/18/799743818.db2.gz YQSWIJJXMDNHFZ-NWDGAFQWSA-N 2 1 264.438 3.014 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC000688893123 799757677 /nfs/dbraw/zinc/75/76/77/799757677.db2.gz OZXXNUBAVOCIKS-IMJJTQAJSA-N 2 1 250.430 3.159 20 0 CGADMP ClC(Cl)=CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692911437 799803478 /nfs/dbraw/zinc/80/34/78/799803478.db2.gz CMIKPVWIGIDPBZ-LBPRGKRZSA-N 2 1 277.239 3.017 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)[C@@H]1CCC[NH3+] ZINC000693491332 799810908 /nfs/dbraw/zinc/81/09/08/799810908.db2.gz KSFUYAYSCUKMNS-GHMZBOCLSA-N 2 1 265.228 3.145 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC000695698375 799831975 /nfs/dbraw/zinc/83/19/75/799831975.db2.gz DZKFLLCQPKLFKP-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001255872509 806776201 /nfs/dbraw/zinc/77/62/01/806776201.db2.gz IZLMUIUPUHYVFE-CQSZACIVSA-N 2 1 278.415 3.030 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708815890 799995685 /nfs/dbraw/zinc/99/56/85/799995685.db2.gz RYNVYNJUQNEELS-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC001255956453 806797916 /nfs/dbraw/zinc/79/79/16/806797916.db2.gz JZVABUADHLFKDL-AWEZNQCLSA-N 2 1 266.404 3.378 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC001255956453 806797917 /nfs/dbraw/zinc/79/79/17/806797917.db2.gz JZVABUADHLFKDL-AWEZNQCLSA-N 2 1 266.404 3.378 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CC(F)C2)CC1 ZINC001255956496 806798737 /nfs/dbraw/zinc/79/87/37/806798737.db2.gz KSGSTQXEQSMLOY-CQSZACIVSA-N 2 1 270.436 3.321 20 0 CGADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Cl ZINC000715571795 800140229 /nfs/dbraw/zinc/14/02/29/800140229.db2.gz PZJUHKLKEVSFGI-UONOGXRCSA-N 2 1 296.842 3.311 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000716609049 800177792 /nfs/dbraw/zinc/17/77/92/800177792.db2.gz SMKJTWGKHXCYDH-ZWKOTPCHSA-N 2 1 270.420 3.039 20 0 CGADMP c1oc2ccccc2c1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069135 806809278 /nfs/dbraw/zinc/80/92/78/806809278.db2.gz RCNUJECCKDRQGD-UHFFFAOYSA-N 2 1 284.403 3.192 20 0 CGADMP C1=C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716719432 800179475 /nfs/dbraw/zinc/17/94/75/800179475.db2.gz SOWCOQNXKYZDFU-RDGPPVDQSA-N 2 1 282.431 3.348 20 0 CGADMP Fc1ccc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC001256068156 806809915 /nfs/dbraw/zinc/80/99/15/806809915.db2.gz YQHLRCBCCWDNCD-WMLDXEAASA-N 2 1 292.373 3.037 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(C(F)(F)F)s1 ZINC000717904334 800207267 /nfs/dbraw/zinc/20/72/67/800207267.db2.gz FPTFJKLNYUMMMQ-VIFPVBQESA-N 2 1 280.359 3.369 20 0 CGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC000719149562 800231686 /nfs/dbraw/zinc/23/16/86/800231686.db2.gz IXYODIMMRHHORB-MQVJKMGUSA-N 2 1 250.430 3.159 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720873153 800269215 /nfs/dbraw/zinc/26/92/15/800269215.db2.gz SNFBNGWNXDWWPF-HZSPNIEDSA-N 2 1 286.341 3.207 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CCC4)CC2)cc1 ZINC000721205590 800281079 /nfs/dbraw/zinc/28/10/79/800281079.db2.gz MZJQBJPZKOMXDQ-KRWDZBQOSA-N 2 1 270.420 3.183 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723574438 800329780 /nfs/dbraw/zinc/32/97/80/800329780.db2.gz RBOMERWQJXZEES-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723675258 800336888 /nfs/dbraw/zinc/33/68/88/800336888.db2.gz VZZUWCZDYJTNEV-NWDGAFQWSA-N 2 1 297.240 3.181 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000723701599 800337735 /nfs/dbraw/zinc/33/77/35/800337735.db2.gz PDPFKBDVFAEYCU-SNVBAGLBSA-N 2 1 290.304 3.015 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723701382 800338036 /nfs/dbraw/zinc/33/80/36/800338036.db2.gz AADGGSBLZGLLJO-RYUDHWBXSA-N 2 1 284.350 3.020 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@H]1CC[NH3+] ZINC000723900414 800343849 /nfs/dbraw/zinc/34/38/49/800343849.db2.gz BXUDWPWXESDRQZ-GDBMZVCRSA-N 2 1 268.404 3.257 20 0 CGADMP CC1(C)CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903130648 800594046 /nfs/dbraw/zinc/59/40/46/800594046.db2.gz NDAMOJPNGASPBP-WPXLMEDKSA-N 2 1 262.441 3.313 20 0 CGADMP CN1CCC([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001256203088 806849209 /nfs/dbraw/zinc/84/92/09/806849209.db2.gz RAGUEVQYIRUJLW-INIZCTEOSA-N 2 1 262.372 3.057 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001256207058 806850790 /nfs/dbraw/zinc/85/07/90/806850790.db2.gz ACLPKLFJPWCNEC-UHFFFAOYSA-N 2 1 276.399 3.099 20 0 CGADMP CC(C)N(CCC[NH3+])c1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001164121629 806895761 /nfs/dbraw/zinc/89/57/61/806895761.db2.gz RFWOBOOMQZJVEI-UHFFFAOYSA-N 2 1 286.423 3.005 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522191 806908964 /nfs/dbraw/zinc/90/89/64/806908964.db2.gz IKKMFYXLNXLYJG-YALNPMBYSA-N 2 1 258.409 3.038 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522191 806908968 /nfs/dbraw/zinc/90/89/68/806908968.db2.gz IKKMFYXLNXLYJG-YALNPMBYSA-N 2 1 258.409 3.038 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(OC3CCC3)CC2)CC1 ZINC001256569417 806918332 /nfs/dbraw/zinc/91/83/32/806918332.db2.gz FEIBJAMGHRCOTF-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256571509 806919430 /nfs/dbraw/zinc/91/94/30/806919430.db2.gz ITOFHKPSEGUKIT-UONOGXRCSA-N 2 1 252.446 3.370 20 0 CGADMP COc1ccc(C(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256615826 806926156 /nfs/dbraw/zinc/92/61/56/806926156.db2.gz WXAFVWJHUXUNMO-MQVJKMGUSA-N 2 1 288.435 3.145 20 0 CGADMP Cc1cnccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001256619855 806927496 /nfs/dbraw/zinc/92/74/96/806927496.db2.gz KDVCTAKOHKMFSE-YCXXCVGLSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001256632269 806933134 /nfs/dbraw/zinc/93/31/34/806933134.db2.gz ZTALKBLBDGELMO-HNNXBMFYSA-N 2 1 271.408 3.111 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256699285 806950065 /nfs/dbraw/zinc/95/00/65/806950065.db2.gz LUWSBEIRFFBTQS-MJYONLJCSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)C[N@@H+]([C@H](C)Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256731792 806963037 /nfs/dbraw/zinc/96/30/37/806963037.db2.gz POHJRMHJORTLID-KBAYOESNSA-N 2 1 289.467 3.241 20 0 CGADMP C[NH+]1CCC(C2CCN(c3ccc4c([nH+]3)CCC4)CC2)CC1 ZINC001165065078 806966786 /nfs/dbraw/zinc/96/67/86/806966786.db2.gz FXDHMVOYQYGLLK-UHFFFAOYSA-N 2 1 299.462 3.129 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001116293980 802326353 /nfs/dbraw/zinc/32/63/53/802326353.db2.gz NUFYGQBLVYZKAJ-VVLHAWIVSA-N 2 1 264.457 3.418 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(C)ccc32)C1 ZINC001116293019 802326782 /nfs/dbraw/zinc/32/67/82/802326782.db2.gz IDPNKWCFKBICCF-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP Cc1cccnc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001116529970 802372728 /nfs/dbraw/zinc/37/27/28/802372728.db2.gz BMGXEQUPVLRMBG-IYBDPMFKSA-N 2 1 289.467 3.238 20 0 CGADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172430314 808308031 /nfs/dbraw/zinc/30/80/31/808308031.db2.gz GQSDYVFDSIKXAY-IKGGRYGDSA-N 2 1 282.472 3.140 20 0 CGADMP CCOCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172430314 808308035 /nfs/dbraw/zinc/30/80/35/808308035.db2.gz GQSDYVFDSIKXAY-IKGGRYGDSA-N 2 1 282.472 3.140 20 0 CGADMP CCOCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172430314 808308042 /nfs/dbraw/zinc/30/80/42/808308042.db2.gz GQSDYVFDSIKXAY-IKGGRYGDSA-N 2 1 282.472 3.140 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001117954090 802513590 /nfs/dbraw/zinc/51/35/90/802513590.db2.gz YZXLOGBOUULXJA-SECBINFHSA-N 2 1 261.196 3.081 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC001256907486 807007319 /nfs/dbraw/zinc/00/73/19/807007319.db2.gz CKCXYHZJEZRRPT-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1CCC1 ZINC001256907486 807007324 /nfs/dbraw/zinc/00/73/24/807007324.db2.gz CKCXYHZJEZRRPT-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[NH+](CCN[C@@H]1CCC[N@H+](C2CCCC2)C1)C(C)C ZINC001256894724 807000846 /nfs/dbraw/zinc/00/08/46/807000846.db2.gz LVXGTOXFSVROGT-QGZVFWFLSA-N 2 1 295.515 3.102 20 0 CGADMP CC1(C)CC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256907844 807006942 /nfs/dbraw/zinc/00/69/42/807006942.db2.gz GAUZKMDMADUNRE-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256907844 807006948 /nfs/dbraw/zinc/00/69/48/807006948.db2.gz GAUZKMDMADUNRE-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC001205280944 812928257 /nfs/dbraw/zinc/92/82/57/812928257.db2.gz MPZHSSSCYXFZNG-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206808049 813443502 /nfs/dbraw/zinc/44/35/02/813443502.db2.gz JPYXHVUNNKVBSF-GOEBONIOSA-N 2 1 260.425 3.369 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2C3CCC2CC3)cc1 ZINC001138547136 803963301 /nfs/dbraw/zinc/96/33/01/803963301.db2.gz FQZVGWZFYNJWCD-UHFFFAOYSA-N 2 1 267.376 3.308 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CCC2CC2)cc1 ZINC001138548488 803963467 /nfs/dbraw/zinc/96/34/67/803963467.db2.gz FMUVBBYFVRSJFM-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CCC2CC2)cc1 ZINC001138548488 803963473 /nfs/dbraw/zinc/96/34/73/803963473.db2.gz FMUVBBYFVRSJFM-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC001138549240 803963723 /nfs/dbraw/zinc/96/37/23/803963723.db2.gz SQNFEAUNRUVBMF-DOTOQJQBSA-N 2 1 267.376 3.165 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC001138549240 803963728 /nfs/dbraw/zinc/96/37/28/803963728.db2.gz SQNFEAUNRUVBMF-DOTOQJQBSA-N 2 1 267.376 3.165 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3c(C)cccc3Cl)C[C@H]2C1 ZINC001138721725 804018438 /nfs/dbraw/zinc/01/84/38/804018438.db2.gz HEXHUGFKTDGELO-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC001139063866 804121974 /nfs/dbraw/zinc/12/19/74/804121974.db2.gz BCMUQAOLXPNUBU-HOTGVXAUSA-N 2 1 284.403 3.206 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246099011 804131632 /nfs/dbraw/zinc/13/16/32/804131632.db2.gz USIMEVYNEQAQKZ-IRXDYDNUSA-N 2 1 260.425 3.130 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246098803 804132155 /nfs/dbraw/zinc/13/21/55/804132155.db2.gz SXTFGPPGDMSVTB-UFJLJLFMSA-N 2 1 298.474 3.401 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246101348 804133519 /nfs/dbraw/zinc/13/35/19/804133519.db2.gz KKSOAQSSMNXYFD-LAVFITLUSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106257 804139033 /nfs/dbraw/zinc/13/90/33/804139033.db2.gz OSLISGIHBLCSAH-WWGRRREGSA-N 2 1 280.843 3.249 20 0 CGADMP C1CCC2(CC1)CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246109851 804141639 /nfs/dbraw/zinc/14/16/39/804141639.db2.gz JWBSTDIYHIGOSC-HUUCEWRRSA-N 2 1 250.430 3.221 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001139155336 804142781 /nfs/dbraw/zinc/14/27/81/804142781.db2.gz MLAJQKOVPWIRPY-VQIMIIECSA-N 2 1 297.446 3.045 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113360 804144985 /nfs/dbraw/zinc/14/49/85/804144985.db2.gz NYSSLOQTPBDXNC-LSDHHAIUSA-N 2 1 258.425 3.273 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC[NH2+]1 ZINC001246114998 804146701 /nfs/dbraw/zinc/14/67/01/804146701.db2.gz PJMBKGWKSQVKCA-YQQAZPJKSA-N 2 1 288.435 3.411 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC[NH2+]1 ZINC001246114999 804146836 /nfs/dbraw/zinc/14/68/36/804146836.db2.gz PJMBKGWKSQVKCA-ZMSDIMECSA-N 2 1 288.435 3.411 20 0 CGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246131575 804157273 /nfs/dbraw/zinc/15/72/73/804157273.db2.gz ZYTYAWAUXNCNGH-OLZOCXBDSA-N 2 1 299.245 3.192 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2ccn(C)c2c1 ZINC001139208097 804163403 /nfs/dbraw/zinc/16/34/03/804163403.db2.gz OZOXXSWPXMYWFW-UHFFFAOYSA-N 2 1 287.451 3.342 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC001246156955 804172479 /nfs/dbraw/zinc/17/24/79/804172479.db2.gz DJBDZZDDPHLPMH-SWLSCSKDSA-N 2 1 284.806 3.345 20 0 CGADMP C[N@H+](Cc1ccc2cc(O)ccc2c1)C1CC[NH+](C)CC1 ZINC001139337631 804174965 /nfs/dbraw/zinc/17/49/65/804174965.db2.gz VOMXEPGNMJCLGT-UHFFFAOYSA-N 2 1 284.403 3.071 20 0 CGADMP C[N@@H+](Cc1ccc2cc(O)ccc2c1)C1CC[NH+](C)CC1 ZINC001139337631 804174970 /nfs/dbraw/zinc/17/49/70/804174970.db2.gz VOMXEPGNMJCLGT-UHFFFAOYSA-N 2 1 284.403 3.071 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160473 804176844 /nfs/dbraw/zinc/17/68/44/804176844.db2.gz NBMHWAKAVDZNOB-BSDSXHPESA-N 2 1 296.499 3.482 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C[NH2+]1 ZINC001246161173 804177142 /nfs/dbraw/zinc/17/71/42/804177142.db2.gz YREDYSTXGHVGPZ-NVXWUHKLSA-N 2 1 296.414 3.361 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C[NH2+]1 ZINC001246161175 804177298 /nfs/dbraw/zinc/17/72/98/804177298.db2.gz YREDYSTXGHVGPZ-RDJZCZTQSA-N 2 1 296.414 3.361 20 0 CGADMP CCCC1CCC([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)CC1 ZINC001246162062 804179031 /nfs/dbraw/zinc/17/90/31/804179031.db2.gz WWMNJMASFFMCEH-ZGUYJTEBSA-N 2 1 294.483 3.236 20 0 CGADMP CC(C[NH2+][C@H]1CCC[NH2+]C1)(c1ccccc1)c1ccccc1 ZINC001246178129 804192290 /nfs/dbraw/zinc/19/22/90/804192290.db2.gz HKJLXCZUIKJMSK-IBGZPJMESA-N 2 1 294.442 3.334 20 0 CGADMP c1ccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCCCC2)cc1 ZINC001246180534 804194049 /nfs/dbraw/zinc/19/40/49/804194049.db2.gz SRWVQGRZVFFALY-KRWDZBQOSA-N 2 1 272.436 3.230 20 0 CGADMP CCC(CC)([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246183553 804195169 /nfs/dbraw/zinc/19/51/69/804195169.db2.gz FYPJITZUYMQQLB-INIZCTEOSA-N 2 1 260.425 3.434 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC[NH2+]1 ZINC001246185227 804196479 /nfs/dbraw/zinc/19/64/79/804196479.db2.gz BZEIANVLJATEOP-HZPDHXFCSA-N 3 1 295.515 3.278 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC001246189108 804198544 /nfs/dbraw/zinc/19/85/44/804198544.db2.gz HKMOWFNCIPDJAY-YPMHNXCESA-N 2 1 284.856 3.162 20 0 CGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC001246189242 804198806 /nfs/dbraw/zinc/19/88/06/804198806.db2.gz IJIDALSSRSERNU-OLZOCXBDSA-N 2 1 299.245 3.192 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246231280 804223367 /nfs/dbraw/zinc/22/33/67/804223367.db2.gz PAQZDWZNJGRJET-IHRRRGAJSA-N 2 1 276.415 3.426 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)C[NH2+]1 ZINC001246239337 804232630 /nfs/dbraw/zinc/23/26/30/804232630.db2.gz IZZUHSQEPBDQEG-ZQDZILKHSA-N 2 1 252.446 3.321 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(OC)c2)CC[NH2+]1 ZINC001246316656 804277350 /nfs/dbraw/zinc/27/73/50/804277350.db2.gz IVGBKTNXSSPAQI-LSDHHAIUSA-N 2 1 294.414 3.235 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246319941 804278701 /nfs/dbraw/zinc/27/87/01/804278701.db2.gz XKYGGNGLUUGYHE-QDMKHBRRSA-N 2 1 294.414 3.233 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246326566 804282293 /nfs/dbraw/zinc/28/22/93/804282293.db2.gz QMVPUPXJRRUZJD-INMHGKMJSA-N 2 1 260.425 3.046 20 0 CGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246332605 804287248 /nfs/dbraw/zinc/28/72/48/804287248.db2.gz QJQIZUGBBQAKNY-ZACQAIPSSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246332216 804287794 /nfs/dbraw/zinc/28/77/94/804287794.db2.gz PZLKBUWYTMXGDP-HIFRSBDPSA-N 2 1 250.430 3.220 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246342606 804294642 /nfs/dbraw/zinc/29/46/42/804294642.db2.gz CHKHTOONZOJXKG-CVEARBPZSA-N 2 1 262.441 3.361 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC001246351006 804300228 /nfs/dbraw/zinc/30/02/28/804300228.db2.gz SXVVKLZCSCOESE-UYTYNIKBSA-N 2 1 270.420 3.195 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CNc4ccccc43)CCN2)cc1 ZINC001246355114 804301322 /nfs/dbraw/zinc/30/13/22/804301322.db2.gz IOSQZDJXBCFXIH-MNEFBYGVSA-N 2 1 293.414 3.236 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246357532 804303597 /nfs/dbraw/zinc/30/35/97/804303597.db2.gz VXMYUEHDXUDRFD-LOUJCGABSA-N 2 1 273.424 3.052 20 0 CGADMP Cc1ccccc1CC(C)(C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246373379 804310134 /nfs/dbraw/zinc/31/01/34/804310134.db2.gz QPLBDEUWKOWLSV-HOCLYGCPSA-N 2 1 260.425 3.046 20 0 CGADMP FC1(F)CCC(CC2CCC2)([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246407009 804324211 /nfs/dbraw/zinc/32/42/11/804324211.db2.gz RBGAIQLVKLZJLC-AWEZNQCLSA-N 2 1 286.410 3.466 20 0 CGADMP FC(F)(F)c1ccccc1CC1([NH2+][C@H]2CC[NH2+]C2)CCC1 ZINC001246435425 804331805 /nfs/dbraw/zinc/33/18/05/804331805.db2.gz NQBCLPUKBRIXGT-ZDUSSCGKSA-N 2 1 298.352 3.122 20 0 CGADMP CCC[C@@H](C)[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246438220 804334577 /nfs/dbraw/zinc/33/45/77/804334577.db2.gz RNKVVZNPSNKION-CYBMUJFWSA-N 2 1 264.388 3.183 20 0 CGADMP CCCCCC[C@@H](CCCC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246462773 804344871 /nfs/dbraw/zinc/34/48/71/804344871.db2.gz DDMRXFAKPLXCPN-ZACQAIPSSA-N 2 1 284.488 3.482 20 0 CGADMP CC(C)P(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC001246473656 804350545 /nfs/dbraw/zinc/35/05/45/804350545.db2.gz ZYVSRRDINQOMDU-YIONKMFJSA-N 2 1 270.401 3.158 20 0 CGADMP CC[C@@H](CC(C)C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246484968 804355877 /nfs/dbraw/zinc/35/58/77/804355877.db2.gz GBICABOAJZQBKU-STQMWFEESA-N 2 1 262.388 3.036 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC001246487262 804356907 /nfs/dbraw/zinc/35/69/07/804356907.db2.gz KTDQGFBVUVDDPE-MGPQQGTHSA-N 2 1 288.426 3.426 20 0 CGADMP C[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246520618 804373442 /nfs/dbraw/zinc/37/34/42/804373442.db2.gz UEHMUVKHSCOSMQ-NXHRZFHOSA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)C)CC[NH2+]1 ZINC001246520657 804373548 /nfs/dbraw/zinc/37/35/48/804373548.db2.gz USSUAZGNVCHSKX-IAGOWNOFSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246522993 804377230 /nfs/dbraw/zinc/37/72/30/804377230.db2.gz KRUHQILYGQJWMO-OAHLLOKOSA-N 2 1 290.426 3.222 20 0 CGADMP CC[C@@H]1CC([N@H+]2C[C@@H]3CCC[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246524488 804378283 /nfs/dbraw/zinc/37/82/83/804378283.db2.gz FCXWZXIAKHAYKB-LXTVHRRPSA-N 2 1 250.430 3.028 20 0 CGADMP CCCCCC1CCC([N@H+]2CCO[C@H](CC[NH3+])C2)CC1 ZINC001246533725 804383950 /nfs/dbraw/zinc/38/39/50/804383950.db2.gz DLQPCTWGDNUOSX-OFLPRAFFSA-N 2 1 282.472 3.175 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544834 804393047 /nfs/dbraw/zinc/39/30/47/804393047.db2.gz ZQTPABDRBWZMDW-JQHSSLGASA-N 2 1 274.452 3.315 20 0 CGADMP C[C@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)Cc2ccccc21 ZINC001246544999 804393723 /nfs/dbraw/zinc/39/37/23/804393723.db2.gz FWVKYNKIMNECCH-AWEZNQCLSA-N 2 1 270.420 3.138 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001246551708 804402873 /nfs/dbraw/zinc/40/28/73/804402873.db2.gz MOYXVVREMRQCRU-KURKYZTESA-N 2 1 288.435 3.110 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556208 804405781 /nfs/dbraw/zinc/40/57/81/804405781.db2.gz DVRPUFYKHFNYKT-DLBZAZTESA-N 2 1 284.488 3.301 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557506 804406313 /nfs/dbraw/zinc/40/63/13/804406313.db2.gz LXEDHWJOXLHDAE-OLZOCXBDSA-N 2 1 262.388 3.261 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@](C)([NH3+])CC1)CC2 ZINC001246556432 804406676 /nfs/dbraw/zinc/40/66/76/804406676.db2.gz ZSTZYTVLDRBHCA-ROUUACIJSA-N 2 1 272.436 3.056 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CC[C@H]1C[NH3+] ZINC001246560612 804409287 /nfs/dbraw/zinc/40/92/87/804409287.db2.gz QQWNKJRVZLPNPX-VHDGCEQUSA-N 2 1 292.854 3.114 20 0 CGADMP F[C@@H]1CCCC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246567114 804415556 /nfs/dbraw/zinc/41/55/56/804415556.db2.gz KUEUQVBPWYZDRD-FGTMMUONSA-N 2 1 290.426 3.174 20 0 CGADMP F[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246567114 804415558 /nfs/dbraw/zinc/41/55/58/804415558.db2.gz KUEUQVBPWYZDRD-FGTMMUONSA-N 2 1 290.426 3.174 20 0 CGADMP F[C@@H]1CCCC[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246567117 804415819 /nfs/dbraw/zinc/41/58/19/804415819.db2.gz KUEUQVBPWYZDRD-SQNIBIBYSA-N 2 1 290.426 3.174 20 0 CGADMP F[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246567117 804415821 /nfs/dbraw/zinc/41/58/21/804415821.db2.gz KUEUQVBPWYZDRD-SQNIBIBYSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1C ZINC001246568784 804416637 /nfs/dbraw/zinc/41/66/37/804416637.db2.gz BHOBLQGBAAAHEM-NJINODPHSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@]1(F)CCC[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246570482 804416728 /nfs/dbraw/zinc/41/67/28/804416728.db2.gz AENSQJOMVZPNCX-BZSNNMDCSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@]1(F)CCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246570482 804416732 /nfs/dbraw/zinc/41/67/32/804416732.db2.gz AENSQJOMVZPNCX-BZSNNMDCSA-N 2 1 290.426 3.174 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C2CCc3ccccc3CC2)C1 ZINC001246576463 804422874 /nfs/dbraw/zinc/42/28/74/804422874.db2.gz KIKDXEZFYOBMMJ-GOSISDBHSA-N 2 1 290.426 3.087 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001246576463 804422875 /nfs/dbraw/zinc/42/28/75/804422875.db2.gz KIKDXEZFYOBMMJ-GOSISDBHSA-N 2 1 290.426 3.087 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246575715 804423113 /nfs/dbraw/zinc/42/31/13/804423113.db2.gz NMBFADQRIKNBPJ-LXTVHRRPSA-N 2 1 256.409 3.120 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246575715 804423117 /nfs/dbraw/zinc/42/31/17/804423117.db2.gz NMBFADQRIKNBPJ-LXTVHRRPSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246578960 804424095 /nfs/dbraw/zinc/42/40/95/804424095.db2.gz DDFUDKOQAAZBEF-ZWKOTPCHSA-N 2 1 290.426 3.134 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246577336 804424339 /nfs/dbraw/zinc/42/43/39/804424339.db2.gz OONSUFNAHRNHMO-OWCLPIDISA-N 2 1 270.461 3.031 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246583957 804428203 /nfs/dbraw/zinc/42/82/03/804428203.db2.gz WPDWANBVCXEHFQ-DAWZGUTISA-N 3 1 295.515 3.090 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246586305 804430160 /nfs/dbraw/zinc/43/01/60/804430160.db2.gz MUKUYCDJYDJWLQ-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246589748 804432035 /nfs/dbraw/zinc/43/20/35/804432035.db2.gz FMKFCMJPKPWYPB-MAUKXSAKSA-N 2 1 290.426 3.134 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598494 804436960 /nfs/dbraw/zinc/43/69/60/804436960.db2.gz ANIQTKQHHFUBSY-OALUTQOASA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598494 804436964 /nfs/dbraw/zinc/43/69/64/804436964.db2.gz ANIQTKQHHFUBSY-OALUTQOASA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)[N@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597245 804437477 /nfs/dbraw/zinc/43/74/77/804437477.db2.gz WWJJIJCNBKGKNX-ZACQAIPSSA-N 3 1 295.515 3.006 20 0 CGADMP CC(C)[N@@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597245 804437481 /nfs/dbraw/zinc/43/74/81/804437481.db2.gz WWJJIJCNBKGKNX-ZACQAIPSSA-N 3 1 295.515 3.006 20 0 CGADMP C1C[C@@]2(CCC[NH2+]C2)[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001246609146 804442557 /nfs/dbraw/zinc/44/25/57/804442557.db2.gz ZTNZAWXFRJVAHT-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP C1C[C@@]2(CCC[NH2+]C2)[N@H+]1C1CCC2(CCCC2)CC1 ZINC001246609146 804442561 /nfs/dbraw/zinc/44/25/61/804442561.db2.gz ZTNZAWXFRJVAHT-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246609363 804442765 /nfs/dbraw/zinc/44/27/65/804442765.db2.gz MTCGZJDNSFZQJJ-PBHICJAKSA-N 2 1 292.854 3.347 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001246611619 804445412 /nfs/dbraw/zinc/44/54/12/804445412.db2.gz UTLNORJIRUKPJT-LPHOPBHVSA-N 2 1 286.463 3.398 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)C2)cc1 ZINC001246613878 804449227 /nfs/dbraw/zinc/44/92/27/804449227.db2.gz ZJEYLJGIXLHPLR-QRVBRYPASA-N 2 1 284.447 3.398 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246615279 804450929 /nfs/dbraw/zinc/45/09/29/804450929.db2.gz RSOPARLFRGWSSS-UYAOXDASSA-N 2 1 298.474 3.460 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246615279 804450933 /nfs/dbraw/zinc/45/09/33/804450933.db2.gz RSOPARLFRGWSSS-UYAOXDASSA-N 2 1 298.474 3.460 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001246616617 804451303 /nfs/dbraw/zinc/45/13/03/804451303.db2.gz YSOGNGKDVLRMKL-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)CC[C@@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246616473 804452165 /nfs/dbraw/zinc/45/21/65/804452165.db2.gz WRSXONNAFROVFT-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246618186 804452290 /nfs/dbraw/zinc/45/22/90/804452290.db2.gz JGGLKDMUMKEPQQ-OALUTQOASA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246618186 804452294 /nfs/dbraw/zinc/45/22/94/804452294.db2.gz JGGLKDMUMKEPQQ-OALUTQOASA-N 2 1 284.447 3.070 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246621804 804456132 /nfs/dbraw/zinc/45/61/32/804456132.db2.gz QAISVIRDMSQMET-SJORKVTESA-N 2 1 282.472 3.190 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246625521 804457210 /nfs/dbraw/zinc/45/72/10/804457210.db2.gz WHSKDPRBDYUJJF-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624212 804457501 /nfs/dbraw/zinc/45/75/01/804457501.db2.gz OHLMLTHCJOINCE-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)C2)cc1 ZINC001246629410 804460108 /nfs/dbraw/zinc/46/01/08/804460108.db2.gz ZBNGBCWFAFOUKN-FCGDIQPGSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)C2)cc1 ZINC001246629413 804460842 /nfs/dbraw/zinc/46/08/42/804460842.db2.gz ZBNGBCWFAFOUKN-YDZRNGNQSA-N 2 1 284.447 3.397 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246630143 804461201 /nfs/dbraw/zinc/46/12/01/804461201.db2.gz HHQPULSDABDOKV-HOCLYGCPSA-N 2 1 250.430 3.173 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246637239 804465773 /nfs/dbraw/zinc/46/57/73/804465773.db2.gz MRDIPYFZQKGYFC-IAGOWNOFSA-N 2 1 282.472 3.047 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@]4(CC[NH2+]4)C3)CC2)cc1 ZINC001246635249 804465851 /nfs/dbraw/zinc/46/58/51/804465851.db2.gz JMUCAMDMCRZKJW-DAWZGUTISA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@]4(CC[NH2+]4)C3)CC2)cc1 ZINC001246635249 804465853 /nfs/dbraw/zinc/46/58/53/804465853.db2.gz JMUCAMDMCRZKJW-DAWZGUTISA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246639807 804467655 /nfs/dbraw/zinc/46/76/55/804467655.db2.gz REVWNQGTDSIGEO-CGIJZDBUSA-N 2 1 296.458 3.249 20 0 CGADMP CCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246642216 804468627 /nfs/dbraw/zinc/46/86/27/804468627.db2.gz ZSWZOYYWZLDFPA-KGLIPLIRSA-N 2 1 274.399 3.276 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246642425 804468962 /nfs/dbraw/zinc/46/89/62/804468962.db2.gz WNVRLBHAZBOSMB-IAGOWNOFSA-N 2 1 282.472 3.047 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246641280 804469168 /nfs/dbraw/zinc/46/91/68/804469168.db2.gz CUBFZWFBOONEND-UKRRQHHQSA-N 2 1 270.486 3.125 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643728 804470678 /nfs/dbraw/zinc/47/06/78/804470678.db2.gz PTMKXPWQGQLBDX-GOSISDBHSA-N 2 1 295.515 3.153 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246642793 804470807 /nfs/dbraw/zinc/47/08/07/804470807.db2.gz PHVXUPMKVXWPKE-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644540 804472086 /nfs/dbraw/zinc/47/20/86/804472086.db2.gz RESFQABJFXBNAO-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644540 804472088 /nfs/dbraw/zinc/47/20/88/804472088.db2.gz RESFQABJFXBNAO-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246647098 804473807 /nfs/dbraw/zinc/47/38/07/804473807.db2.gz HDBNCWOFFACGPM-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246648719 804475954 /nfs/dbraw/zinc/47/59/54/804475954.db2.gz ZAWQZPJZHBFIPC-CQSZACIVSA-N 2 1 292.854 3.489 20 0 CGADMP C1C[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]2C1 ZINC001246655077 804480388 /nfs/dbraw/zinc/48/03/88/804480388.db2.gz JSKRGULNQSWMBM-CVEARBPZSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@]23CCC[NH2+]C3)C1 ZINC001246654189 804480692 /nfs/dbraw/zinc/48/06/92/804480692.db2.gz VNXMPKVBHNJTNV-OWCLPIDISA-N 2 1 250.430 3.173 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCC2(CCCCC2)C1 ZINC001246657172 804481804 /nfs/dbraw/zinc/48/18/04/804481804.db2.gz GJSSUYUQAUUNQM-FZKCQIBNSA-N 2 1 262.441 3.301 20 0 CGADMP C1C[C@H]2[C@@H](CC[N@H+]2[C@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246662491 804485492 /nfs/dbraw/zinc/48/54/92/804485492.db2.gz HPDCCPKOPMDTGP-XHSDSOJGSA-N 2 1 262.441 3.316 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246667679 804488582 /nfs/dbraw/zinc/48/85/82/804488582.db2.gz LVXBGKSEOGXUHW-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246667679 804488585 /nfs/dbraw/zinc/48/85/85/804488585.db2.gz LVXBGKSEOGXUHW-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]1CC([N@@H+](C)Cc2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246685767 804496311 /nfs/dbraw/zinc/49/63/11/804496311.db2.gz BRTKAAOFYUHDGF-HOTGVXAUSA-N 2 1 290.451 3.436 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)CC(C)(C)C1 ZINC001246688712 804497143 /nfs/dbraw/zinc/49/71/43/804497143.db2.gz HFTXLFOKSWPOJJ-WBTNSWJXSA-N 2 1 282.447 3.225 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246688714 804497228 /nfs/dbraw/zinc/49/72/28/804497228.db2.gz HIAIOMDKRRJFCH-ARFHVFGLSA-N 2 1 270.436 3.369 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246768928 804503132 /nfs/dbraw/zinc/50/31/32/804503132.db2.gz HBKVZJBAOXFTNB-MSOLQXFVSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC001246774639 804504674 /nfs/dbraw/zinc/50/46/74/804504674.db2.gz GBCFVQRPYGIPGM-RHSMWYFYSA-N 2 1 268.404 3.412 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246778345 804506782 /nfs/dbraw/zinc/50/67/82/804506782.db2.gz ULSVZWNJBXBLJK-QZTJIDSGSA-N 2 1 274.452 3.459 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246779955 804508695 /nfs/dbraw/zinc/50/86/95/804508695.db2.gz VLWZJRDJHFWAPZ-MRXNPFEDSA-N 2 1 298.455 3.119 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246783428 804509984 /nfs/dbraw/zinc/50/99/84/804509984.db2.gz XBIOWBHGEGHSCU-RYUDHWBXSA-N 2 1 284.806 3.081 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246790344 804513203 /nfs/dbraw/zinc/51/32/03/804513203.db2.gz NOSVVZHEPQNIGX-GVRJEKJASA-N 2 1 252.446 3.416 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@@H]3CC[NH2+]C4(CCC4)C3)C2)cc1 ZINC001246790447 804513250 /nfs/dbraw/zinc/51/32/50/804513250.db2.gz FZKGWNFQCNDKPK-ZWKOTPCHSA-N 2 1 284.447 3.226 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246793013 804515649 /nfs/dbraw/zinc/51/56/49/804515649.db2.gz CFHZPOYNDBPRSR-CVEARBPZSA-N 2 1 276.399 3.493 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246792938 804516043 /nfs/dbraw/zinc/51/60/43/804516043.db2.gz SNCOPYTVMJWZHB-QYZOEREBSA-N 2 1 286.463 3.328 20 0 CGADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246791980 804516077 /nfs/dbraw/zinc/51/60/77/804516077.db2.gz ZLJXZBBXPNVDMU-YOEHRIQHSA-N 2 1 276.399 3.495 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246794063 804516901 /nfs/dbraw/zinc/51/69/01/804516901.db2.gz YNFFTLWXVCVYBR-IAGOWNOFSA-N 2 1 272.436 3.082 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001246793246 804517472 /nfs/dbraw/zinc/51/74/72/804517472.db2.gz BWRFMVZQADWLCP-MRXNPFEDSA-N 2 1 290.426 3.005 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246793301 804517928 /nfs/dbraw/zinc/51/79/28/804517928.db2.gz UTHLAUWJWSTREX-OALUTQOASA-N 2 1 298.474 3.473 20 0 CGADMP C[N@H+](CC(C)(C)C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246797995 804519013 /nfs/dbraw/zinc/51/90/13/804519013.db2.gz MGDASJNRNXHAEH-JKSUJKDBSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246797995 804519019 /nfs/dbraw/zinc/51/90/19/804519019.db2.gz MGDASJNRNXHAEH-JKSUJKDBSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CSc2ccccc2C1 ZINC001246797464 804519435 /nfs/dbraw/zinc/51/94/35/804519435.db2.gz OPVFZLNJYHFLNR-INIZCTEOSA-N 2 1 290.476 3.025 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001140803760 804522709 /nfs/dbraw/zinc/52/27/09/804522709.db2.gz VQGHFNSZDBAOFH-INIZCTEOSA-N 2 1 298.434 3.013 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246801933 804524100 /nfs/dbraw/zinc/52/41/00/804524100.db2.gz URRJRZHLGYQOTQ-IKGGRYGDSA-N 2 1 276.399 3.493 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)(C)OC)CC[NH2+]1 ZINC001246812383 804529233 /nfs/dbraw/zinc/52/92/33/804529233.db2.gz ZPBOSSPJAZQOFT-BZUAXINKSA-N 2 1 282.472 3.187 20 0 CGADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246811338 804529296 /nfs/dbraw/zinc/52/92/96/804529296.db2.gz SNNNJNWLEGVDKP-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP C1C[C@@H]2CCC[N@@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)[C@H]2C1 ZINC001246819908 804533837 /nfs/dbraw/zinc/53/38/37/804533837.db2.gz LCRGZYBCPCABDH-OAGGEKHMSA-N 2 1 262.441 3.173 20 0 CGADMP C1CC2(C1)CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246828653 804538943 /nfs/dbraw/zinc/53/89/43/804538943.db2.gz FIOLYGIDFJNRNC-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CCCCC3)CC2)C[C@@H]1F ZINC001246833758 804543009 /nfs/dbraw/zinc/54/30/09/804543009.db2.gz GLRFQKLPPWJABA-LSDHHAIUSA-N 2 1 268.420 3.251 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CCCCC3)CC2)C[C@@H]1F ZINC001246833758 804543014 /nfs/dbraw/zinc/54/30/14/804543014.db2.gz GLRFQKLPPWJABA-LSDHHAIUSA-N 2 1 268.420 3.251 20 0 CGADMP CCCCC[C@H](C)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835427 804543799 /nfs/dbraw/zinc/54/37/99/804543799.db2.gz JOHMPNLBANXXMK-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)C[C@H](C)[NH2+]1 ZINC001246837631 804546166 /nfs/dbraw/zinc/54/61/66/804546166.db2.gz PKAMHYHGNYZYPZ-DGADGQDISA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)C[C@H](C)[NH2+]1 ZINC001246837631 804546169 /nfs/dbraw/zinc/54/61/69/804546169.db2.gz PKAMHYHGNYZYPZ-DGADGQDISA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CC[NH2+]1 ZINC001246844442 804551838 /nfs/dbraw/zinc/55/18/38/804551838.db2.gz JGNYNFUCAGHIRH-NXHRZFHOSA-N 2 1 272.436 3.397 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246844407 804552106 /nfs/dbraw/zinc/55/21/06/804552106.db2.gz JAMIXJYMMAIEMN-GUDVDZBRSA-N 2 1 286.463 3.185 20 0 CGADMP C1C[C@H]2C[C@@H]([N@H+]3CC[C@@H](C4CCCCC4)C3)C[C@@H]1[NH2+]2 ZINC001246845384 804554758 /nfs/dbraw/zinc/55/47/58/804554758.db2.gz FVQGFZNFNSTFSV-NCOADZHNSA-N 2 1 262.441 3.172 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246847229 804555500 /nfs/dbraw/zinc/55/55/00/804555500.db2.gz RGWJRJGBAJYZEU-VGWMRTNUSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccn2)C2CCCCC2)CC[NH2+]1 ZINC001246848185 804558963 /nfs/dbraw/zinc/55/89/63/804558963.db2.gz XGIBJZFERSHTRG-QAPCUYQASA-N 2 1 287.451 3.357 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246849089 804559304 /nfs/dbraw/zinc/55/93/04/804559304.db2.gz YYLQDMJJGQGNGN-OKYOBFRVSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@H]1CC([N@@H+]2CC=C(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC001246858552 804563617 /nfs/dbraw/zinc/56/36/17/804563617.db2.gz KEDFMVSNDLMVSX-GJZGRUSLSA-N 2 1 270.420 3.305 20 0 CGADMP C[C@@H]1CC([N@@H+]2CC=C(c3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246858553 804565726 /nfs/dbraw/zinc/56/57/26/804565726.db2.gz KEDFMVSNDLMVSX-HUUCEWRRSA-N 2 1 270.420 3.305 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)CSc2ccc(Cl)cc2)C1 ZINC001246863147 804568062 /nfs/dbraw/zinc/56/80/62/804568062.db2.gz KAIVCBPYOJEPFJ-STQMWFEESA-N 2 1 298.883 3.362 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246865635 804570094 /nfs/dbraw/zinc/57/00/94/804570094.db2.gz VNIQRLBQJGXXMA-BHYGNILZSA-N 2 1 258.409 3.007 20 0 CGADMP CC1(C)CCC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001246880794 804576804 /nfs/dbraw/zinc/57/68/04/804576804.db2.gz SPRTUDBABDYIAK-XLIONFOSSA-N 2 1 298.474 3.428 20 0 CGADMP C[N@@H+]([C@H]1CC[NH2+]C(C)(C)C1)C(C)(C)Cc1ccccc1 ZINC001246892853 804583679 /nfs/dbraw/zinc/58/36/79/804583679.db2.gz ORWDNOHDUOEXDK-INIZCTEOSA-N 2 1 274.452 3.470 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246893577 804585512 /nfs/dbraw/zinc/58/55/12/804585512.db2.gz KSXRIQRBIDBHKT-QGZVFWFLSA-N 2 1 298.455 3.119 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246899132 804586219 /nfs/dbraw/zinc/58/62/19/804586219.db2.gz PMVLCRFUTQEKGD-APHBMKBZSA-N 2 1 262.372 3.103 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246902988 804587716 /nfs/dbraw/zinc/58/77/16/804587716.db2.gz WMQYFKNPMZEIBJ-AWEZNQCLSA-N 2 1 296.867 3.009 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1F)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246909254 804593242 /nfs/dbraw/zinc/59/32/42/804593242.db2.gz OHMRFKKLMHFIBP-AWEZNQCLSA-N 2 1 294.389 3.319 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001246908957 804593416 /nfs/dbraw/zinc/59/34/16/804593416.db2.gz HGRLTFKTOPPPDD-HNNXBMFYSA-N 2 1 274.452 3.254 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246923366 804602634 /nfs/dbraw/zinc/60/26/34/804602634.db2.gz WNBGUHNUSOWRPV-YMAMQOFZSA-N 2 1 292.854 3.270 20 0 CGADMP CC(C)OCC[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246936798 804608676 /nfs/dbraw/zinc/60/86/76/804608676.db2.gz KCLNVTARBJNRLR-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP C1CC2(C1)CCC[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246938734 804610668 /nfs/dbraw/zinc/61/06/68/804610668.db2.gz FVYSNVPHWGASCI-OAHLLOKOSA-N 2 1 262.441 3.175 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246950216 804616172 /nfs/dbraw/zinc/61/61/72/804616172.db2.gz VYKYZHLMURQMNL-STQMWFEESA-N 2 1 298.833 3.342 20 0 CGADMP CC[C@H](C)[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001246955998 804618189 /nfs/dbraw/zinc/61/81/89/804618189.db2.gz PAZPZYIKZOOUJA-LBPRGKRZSA-N 2 1 282.378 3.317 20 0 CGADMP CC[C@H](C)[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001246955998 804618192 /nfs/dbraw/zinc/61/81/92/804618192.db2.gz PAZPZYIKZOOUJA-LBPRGKRZSA-N 2 1 282.378 3.317 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246968541 804621242 /nfs/dbraw/zinc/62/12/42/804621242.db2.gz RFOKUUFNXQTWPP-SFHVURJKSA-N 2 1 284.447 3.275 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246972624 804622478 /nfs/dbraw/zinc/62/24/78/804622478.db2.gz DNBNFUYLFQOFAG-CQSZACIVSA-N 2 1 290.426 3.363 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCC[C@H](c4ccccc4)C3)C[C@@H]12 ZINC001246978214 804625659 /nfs/dbraw/zinc/62/56/59/804625659.db2.gz VEYIZLATLZMTNE-UURKPOQGSA-N 2 1 284.447 3.382 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(F)cc1 ZINC001246977702 804626206 /nfs/dbraw/zinc/62/62/06/804626206.db2.gz UCFLVYVZBAXRHR-ZBFHGGJFSA-N 2 1 278.415 3.078 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246979605 804627330 /nfs/dbraw/zinc/62/73/30/804627330.db2.gz ZUBYZZVGGZTGQP-UVPYHEFZSA-N 2 1 252.446 3.260 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247016759 804644584 /nfs/dbraw/zinc/64/45/84/804644584.db2.gz XTBJZGUFNSQCCC-MNAZLIDISA-N 2 1 264.457 3.419 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247016759 804644591 /nfs/dbraw/zinc/64/45/91/804644591.db2.gz XTBJZGUFNSQCCC-MNAZLIDISA-N 2 1 264.457 3.419 20 0 CGADMP COc1cc(C)c(C[N@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC001142935270 804787581 /nfs/dbraw/zinc/78/75/81/804787581.db2.gz WLCMFQWWWLBOPJ-UHFFFAOYSA-N 2 1 290.451 3.230 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC001142935270 804787583 /nfs/dbraw/zinc/78/75/83/804787583.db2.gz WLCMFQWWWLBOPJ-UHFFFAOYSA-N 2 1 290.451 3.230 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2cc[nH+]c(C3CC3)c2)C1 ZINC001165290267 806989529 /nfs/dbraw/zinc/98/95/29/806989529.db2.gz RHISJUYSXIWGSD-ZDUSSCGKSA-N 2 1 259.397 3.103 20 0 CGADMP Cc1cc(Nc2ccc(CC[NH+]3CCCC3)cc2)c[nH+]c1N ZINC001249787818 805246009 /nfs/dbraw/zinc/24/60/09/805246009.db2.gz UMNZYXUIIQCKNV-UHFFFAOYSA-N 2 1 296.418 3.354 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(C(C)(C)C)c[nH+]1 ZINC001155029805 805526184 /nfs/dbraw/zinc/52/61/84/805526184.db2.gz NFWIWUJVBHQYMR-KGLIPLIRSA-N 2 1 275.440 3.427 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2cc(OCC3CC3)cc[nH+]2)C1 ZINC001165273271 806983318 /nfs/dbraw/zinc/98/33/18/806983318.db2.gz PNIPNNGGCNDUIV-AWEZNQCLSA-N 2 1 289.423 3.014 20 0 CGADMP c1cc(N2CCC([N@H+]3CC[C@@H]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC001256856333 806992878 /nfs/dbraw/zinc/99/28/78/806992878.db2.gz FQZJVJHIDMJGRT-HOTGVXAUSA-N 2 1 285.435 3.172 20 0 CGADMP C[N@@H+](CC1CCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860976 806993055 /nfs/dbraw/zinc/99/30/55/806993055.db2.gz JLQJJLWLCSXJLA-UHFFFAOYSA-N 2 1 273.424 3.172 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001257213671 807062899 /nfs/dbraw/zinc/06/28/99/807062899.db2.gz SAQMPRGRDGGBHW-KRWDZBQOSA-N 2 1 273.424 3.091 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001257213671 807062906 /nfs/dbraw/zinc/06/29/06/807062906.db2.gz SAQMPRGRDGGBHW-KRWDZBQOSA-N 2 1 273.424 3.091 20 0 CGADMP Cc1cncc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)c1 ZINC001257213578 807063611 /nfs/dbraw/zinc/06/36/11/807063611.db2.gz QQPJWUPGXYHYHQ-SFHVURJKSA-N 2 1 287.451 3.304 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001257222977 807065785 /nfs/dbraw/zinc/06/57/85/807065785.db2.gz IPLNAZCSMWQMCJ-GOSISDBHSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001257222977 807065791 /nfs/dbraw/zinc/06/57/91/807065791.db2.gz IPLNAZCSMWQMCJ-GOSISDBHSA-N 2 1 272.436 3.479 20 0 CGADMP c1csc(C[N@H+]2C[C@@H]3C[NH+](C4CCCC4)C[C@@H]3C2)c1 ZINC001257350692 807118809 /nfs/dbraw/zinc/11/88/09/807118809.db2.gz QOWQPHPCEJNLOA-OKILXGFUSA-N 2 1 276.449 3.054 20 0 CGADMP c1csc(C[N@@H+]2C[C@@H]3C[NH+](C4CCCC4)C[C@@H]3C2)c1 ZINC001257350692 807118814 /nfs/dbraw/zinc/11/88/14/807118814.db2.gz QOWQPHPCEJNLOA-OKILXGFUSA-N 2 1 276.449 3.054 20 0 CGADMP c1csc(C[NH+]2C[C@@H]3C[N@H+](C4CCCC4)C[C@@H]3C2)c1 ZINC001257350692 807118820 /nfs/dbraw/zinc/11/88/20/807118820.db2.gz QOWQPHPCEJNLOA-OKILXGFUSA-N 2 1 276.449 3.054 20 0 CGADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+](C4CCCC4)C[C@@H]3C2)c1 ZINC001257350692 807118822 /nfs/dbraw/zinc/11/88/22/807118822.db2.gz QOWQPHPCEJNLOA-OKILXGFUSA-N 2 1 276.449 3.054 20 0 CGADMP CCCCCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001257369303 807127893 /nfs/dbraw/zinc/12/78/93/807127893.db2.gz WGGGDEXBYKAZDH-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001257369303 807127899 /nfs/dbraw/zinc/12/78/99/807127899.db2.gz WGGGDEXBYKAZDH-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257369158 807128034 /nfs/dbraw/zinc/12/80/34/807128034.db2.gz OINOLLJRMGGMML-OKZBNKHCSA-N 2 1 295.515 3.056 20 0 CGADMP C[NH2+]Cc1cccc(Nc2ccc3c([nH+]2)CCC3)c1 ZINC001167033210 807132657 /nfs/dbraw/zinc/13/26/57/807132657.db2.gz JFNXQDOVNXFASL-UHFFFAOYSA-N 2 1 253.349 3.033 20 0 CGADMP Cc1[nH+]c2ccc(-n3cccc3C[NH3+])cc2n1C(C)C ZINC001167593696 807210477 /nfs/dbraw/zinc/21/04/77/807210477.db2.gz ZVORLAQLKLZYDW-UHFFFAOYSA-N 2 1 268.364 3.175 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H]1CCOC ZINC001167824746 807255948 /nfs/dbraw/zinc/25/59/48/807255948.db2.gz GEZKFWQGHMHNOM-DLBZAZTESA-N 2 1 284.488 3.388 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOc2ccccc2C1 ZINC001167824242 807256034 /nfs/dbraw/zinc/25/60/34/807256034.db2.gz CUNNJTLKWFMDHT-INIZCTEOSA-N 2 1 290.451 3.392 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CC[N@@H+](C)CC12CCCC2 ZINC001167835254 807258461 /nfs/dbraw/zinc/25/84/61/807258461.db2.gz PYLASFPUTMFVMJ-KRWDZBQOSA-N 2 1 295.515 3.057 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001258010435 807265389 /nfs/dbraw/zinc/26/53/89/807265389.db2.gz AFNKDHSXBVBUAV-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001258010435 807265393 /nfs/dbraw/zinc/26/53/93/807265393.db2.gz AFNKDHSXBVBUAV-HZPDHXFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258062566 807284063 /nfs/dbraw/zinc/28/40/63/807284063.db2.gz KLYPQMRGKBHKDW-KBPBESRZSA-N 2 1 251.418 3.408 20 0 CGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167959386 807285707 /nfs/dbraw/zinc/28/57/07/807285707.db2.gz NSXGFWKSXXHGFZ-AYHJJNSGSA-N 2 1 288.410 3.321 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccoc1 ZINC001167969479 807288413 /nfs/dbraw/zinc/28/84/13/807288413.db2.gz CRQRQZWJIPSLGW-FCLXEUQJSA-N 2 1 274.408 3.336 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccoc1 ZINC001167969479 807288416 /nfs/dbraw/zinc/28/84/16/807288416.db2.gz CRQRQZWJIPSLGW-FCLXEUQJSA-N 2 1 274.408 3.336 20 0 CGADMP C[C@]1(F)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1F ZINC001167985131 807290294 /nfs/dbraw/zinc/29/02/94/807290294.db2.gz VYWKCUFJWXWGDV-OZSLIKBDSA-N 2 1 298.421 3.164 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258094967 807301991 /nfs/dbraw/zinc/30/19/91/807301991.db2.gz BQGKORGTRXQGMA-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258094967 807302001 /nfs/dbraw/zinc/30/20/01/807302001.db2.gz BQGKORGTRXQGMA-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258094967 807302009 /nfs/dbraw/zinc/30/20/09/807302009.db2.gz BQGKORGTRXQGMA-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168104247 807313369 /nfs/dbraw/zinc/31/33/69/807313369.db2.gz USCKKCVVDXJYPF-SRABZTEZSA-N 2 1 280.456 3.068 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH+]3C[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC001258140642 807318666 /nfs/dbraw/zinc/31/86/66/807318666.db2.gz ALRHXMVIQBMOHK-OALUTQOASA-N 2 1 298.474 3.425 20 0 CGADMP C[C@@H]1CC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C[C@@H](C)C1 ZINC001258153773 807323187 /nfs/dbraw/zinc/32/31/87/807323187.db2.gz MPZYTVCPZCLRKC-SDADXPQNSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@@H](C)C1 ZINC001258155352 807324003 /nfs/dbraw/zinc/32/40/03/807324003.db2.gz DCAYEIXEMCOPPO-GJZGRUSLSA-N 2 1 287.451 3.156 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC001258175115 807342362 /nfs/dbraw/zinc/34/23/62/807342362.db2.gz RCUDSNDKOSWSQH-FOLVSLTJSA-N 2 1 252.446 3.085 20 0 CGADMP CSCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258207391 807363715 /nfs/dbraw/zinc/36/37/15/807363715.db2.gz XUKVJLVBIWAGLU-ZBFHGGJFSA-N 2 1 284.513 3.372 20 0 CGADMP CSCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258207391 807363724 /nfs/dbraw/zinc/36/37/24/807363724.db2.gz XUKVJLVBIWAGLU-ZBFHGGJFSA-N 2 1 284.513 3.372 20 0 CGADMP COc1ccccc1CC[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168323675 807383140 /nfs/dbraw/zinc/38/31/40/807383140.db2.gz AETZNMGUXUAOES-UHFFFAOYSA-N 2 1 290.451 3.042 20 0 CGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](C1CCCCCCC1)CC2 ZINC001258241460 807385690 /nfs/dbraw/zinc/38/56/90/807385690.db2.gz YRCXWCMQKLSOMP-UHFFFAOYSA-N 2 1 293.455 3.229 20 0 CGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258280286 807392668 /nfs/dbraw/zinc/39/26/68/807392668.db2.gz SKORRXOUAXAMKD-HNNXBMFYSA-N 3 1 297.531 3.431 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258343306 807420275 /nfs/dbraw/zinc/42/02/75/807420275.db2.gz WSATUVLOKKMHPN-CYBMUJFWSA-N 2 1 272.502 3.180 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3cccc(F)c3)C[C@@H]2C1 ZINC001168500595 807438078 /nfs/dbraw/zinc/43/80/78/807438078.db2.gz JRUOAQZTBPYJBW-BHYGNILZSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3cccc(F)c3)C[C@@H]2C1 ZINC001168500595 807438081 /nfs/dbraw/zinc/43/80/81/807438081.db2.gz JRUOAQZTBPYJBW-BHYGNILZSA-N 2 1 290.426 3.030 20 0 CGADMP CCCC1CCC([N@@H+](CCOC)C2CCN(C)CC2)CC1 ZINC001258532992 807489051 /nfs/dbraw/zinc/48/90/51/807489051.db2.gz PDPQNAHRGUQDBP-UHFFFAOYSA-N 2 1 296.499 3.388 20 0 CGADMP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001168702945 807489319 /nfs/dbraw/zinc/48/93/19/807489319.db2.gz XOFTVDRJGIHSIB-AWEZNQCLSA-N 2 1 290.838 3.024 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168736183 807499495 /nfs/dbraw/zinc/49/94/95/807499495.db2.gz VZCCAZQWXOFAQO-OAHLLOKOSA-N 2 1 292.854 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168736183 807499500 /nfs/dbraw/zinc/49/95/00/807499500.db2.gz VZCCAZQWXOFAQO-OAHLLOKOSA-N 2 1 292.854 3.223 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H](C)Cc1cccnc1 ZINC001258615232 807510952 /nfs/dbraw/zinc/51/09/52/807510952.db2.gz FWQLSCSZQGQRRV-IAGOWNOFSA-N 2 1 297.446 3.110 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258663552 807531902 /nfs/dbraw/zinc/53/19/02/807531902.db2.gz TTZWSMLAKSVLRK-GUDVDZBRSA-N 2 1 286.463 3.281 20 0 CGADMP CCN(CC)C[C@@H]1C[N@@H+]([C@H]2C[C@@H](C)CC(C)(C)C2)CCO1 ZINC001258705921 807559799 /nfs/dbraw/zinc/55/97/99/807559799.db2.gz ZRWQGPHDVSIJKL-IXDOHACOSA-N 2 1 296.499 3.244 20 0 CGADMP CCN(CC)C[C@@H]1C[N@H+]([C@H]2C[C@@H](C)CC(C)(C)C2)CCO1 ZINC001258705921 807559802 /nfs/dbraw/zinc/55/98/02/807559802.db2.gz ZRWQGPHDVSIJKL-IXDOHACOSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081620 807569062 /nfs/dbraw/zinc/56/90/62/807569062.db2.gz UKWITCBNQOYLFU-NRSFXHEJSA-N 2 1 272.436 3.223 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001169092670 807571798 /nfs/dbraw/zinc/57/17/98/807571798.db2.gz CEQJZKFRHZADRW-ZDEQEGDKSA-N 2 1 250.411 3.024 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001169098076 807576048 /nfs/dbraw/zinc/57/60/48/807576048.db2.gz FMSSYTNFWKDISJ-IQNXINDISA-N 2 1 292.373 3.036 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1cc(F)cc(F)c1)C2 ZINC001169099613 807576196 /nfs/dbraw/zinc/57/61/96/807576196.db2.gz COOHJBQHJKHZJU-PHZGNYQRSA-N 2 1 294.389 3.415 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1cc(F)cc(F)c1)C2 ZINC001169099613 807576201 /nfs/dbraw/zinc/57/62/01/807576201.db2.gz COOHJBQHJKHZJU-PHZGNYQRSA-N 2 1 294.389 3.415 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169102085 807578399 /nfs/dbraw/zinc/57/83/99/807578399.db2.gz WYFJVYLWFLEAIV-LOUJCGABSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169102085 807578403 /nfs/dbraw/zinc/57/84/03/807578403.db2.gz WYFJVYLWFLEAIV-LOUJCGABSA-N 2 1 276.399 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1ccccc1F)C2 ZINC001169107447 807578416 /nfs/dbraw/zinc/57/84/16/807578416.db2.gz HAOMAPDYGHDCRZ-PHZGNYQRSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258737607 807583144 /nfs/dbraw/zinc/58/31/44/807583144.db2.gz HLTKQKREOFVBDE-VDNDLQMASA-N 2 1 292.854 3.486 20 0 CGADMP CC(C)[PH+](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169118551 807583197 /nfs/dbraw/zinc/58/31/97/807583197.db2.gz JXPGPHLITQQKQE-MUJYYYPQSA-N 3 1 284.428 3.500 20 0 CGADMP CC(C)P(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC001169118551 807583200 /nfs/dbraw/zinc/58/32/00/807583200.db2.gz JXPGPHLITQQKQE-MUJYYYPQSA-N 2 1 284.428 3.500 20 0 CGADMP CC(C)P(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169118551 807583206 /nfs/dbraw/zinc/58/32/06/807583206.db2.gz JXPGPHLITQQKQE-MUJYYYPQSA-N 2 1 284.428 3.500 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(Cl)s1)C2 ZINC001169124012 807585644 /nfs/dbraw/zinc/58/56/44/807585644.db2.gz PCODFDLBMXVGDA-CNDDSTCGSA-N 2 1 284.856 3.159 20 0 CGADMP C[C@H]([NH3+])c1cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169123687 807586193 /nfs/dbraw/zinc/58/61/93/807586193.db2.gz MBGFVXVXSVAYJT-XQLPTFJDSA-N 2 1 283.419 3.459 20 0 CGADMP CCC[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139911 807588865 /nfs/dbraw/zinc/58/88/65/807588865.db2.gz GAHXTAPIMAYXFI-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139911 807588871 /nfs/dbraw/zinc/58/88/71/807588871.db2.gz GAHXTAPIMAYXFI-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139911 807588875 /nfs/dbraw/zinc/58/88/75/807588875.db2.gz GAHXTAPIMAYXFI-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139911 807588884 /nfs/dbraw/zinc/58/88/84/807588884.db2.gz GAHXTAPIMAYXFI-WCVJEAGWSA-N 2 1 250.430 3.266 20 0 CGADMP C[NH2+]Cc1cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(C)cc12 ZINC001169148062 807592648 /nfs/dbraw/zinc/59/26/48/807592648.db2.gz XMQMOFUOWHJAQK-BJWYYQGGSA-N 2 1 297.446 3.467 20 0 CGADMP C[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160206 807597723 /nfs/dbraw/zinc/59/77/23/807597723.db2.gz CCSRWLCUVWNZGO-MUQADHOPSA-N 2 1 270.420 3.231 20 0 CGADMP C[NH+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160206 807597726 /nfs/dbraw/zinc/59/77/26/807597726.db2.gz CCSRWLCUVWNZGO-MUQADHOPSA-N 2 1 270.420 3.231 20 0 CGADMP C[NH+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160206 807597732 /nfs/dbraw/zinc/59/77/32/807597732.db2.gz CCSRWLCUVWNZGO-MUQADHOPSA-N 2 1 270.420 3.231 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001169230848 807609613 /nfs/dbraw/zinc/60/96/13/807609613.db2.gz MJVHHUPZYJUHAU-HOTGVXAUSA-N 2 1 278.827 3.270 20 0 CGADMP CC[NH+]1CCC([N@H+](Cc2ccccc2)C(C)C)CC1 ZINC001169244236 807612608 /nfs/dbraw/zinc/61/26/08/807612608.db2.gz JAZFQLWLENKXQP-UHFFFAOYSA-N 2 1 260.425 3.381 20 0 CGADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC001169244236 807612611 /nfs/dbraw/zinc/61/26/11/807612611.db2.gz JAZFQLWLENKXQP-UHFFFAOYSA-N 2 1 260.425 3.381 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258844243 807655447 /nfs/dbraw/zinc/65/54/47/807655447.db2.gz PCVBJSHXJSIONT-UXHICEINSA-N 2 1 294.442 3.393 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258844243 807655448 /nfs/dbraw/zinc/65/54/48/807655448.db2.gz PCVBJSHXJSIONT-UXHICEINSA-N 2 1 294.442 3.393 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258850888 807659559 /nfs/dbraw/zinc/65/95/59/807659559.db2.gz FDJGACCAJSEZRE-QGZVFWFLSA-N 2 1 272.436 3.178 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001258907172 807672454 /nfs/dbraw/zinc/67/24/54/807672454.db2.gz GUJSMZKCPNAZIV-UONOGXRCSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001258907172 807672458 /nfs/dbraw/zinc/67/24/58/807672458.db2.gz GUJSMZKCPNAZIV-UONOGXRCSA-N 2 1 276.415 3.474 20 0 CGADMP C[NH+](C)CCC(C)(C)Nc1[nH+]cccc1C1CCOCC1 ZINC001169717138 807696258 /nfs/dbraw/zinc/69/62/58/807696258.db2.gz FGCUMBSJOWZMLD-UHFFFAOYSA-N 2 1 291.439 3.118 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001170117369 807763933 /nfs/dbraw/zinc/76/39/33/807763933.db2.gz KUTJNXWAFGTDIW-BBRMVZONSA-N 2 1 276.399 3.264 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001170600833 807862913 /nfs/dbraw/zinc/86/29/13/807862913.db2.gz FMTPYVJYRMEYJA-OAHLLOKOSA-N 2 1 263.429 3.490 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001170600833 807862920 /nfs/dbraw/zinc/86/29/20/807862920.db2.gz FMTPYVJYRMEYJA-OAHLLOKOSA-N 2 1 263.429 3.490 20 0 CGADMP Cc1ccc[nH+]c1N([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH2+]CC1 ZINC001170766837 807904402 /nfs/dbraw/zinc/90/44/02/807904402.db2.gz OSMSPTBQYVBQNI-OSYLJGHBSA-N 2 1 299.462 3.383 20 0 CGADMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCOCC1 ZINC001170798432 807908668 /nfs/dbraw/zinc/90/86/68/807908668.db2.gz ALJXZYFUDYRYNQ-JYJNAYRXSA-N 2 1 282.472 3.174 20 0 CGADMP CCC[NH+](CCC)CC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171395885 808045820 /nfs/dbraw/zinc/04/58/20/808045820.db2.gz IXRIDLNMGPJHMR-INIZCTEOSA-N 2 1 292.442 3.395 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640618 808110550 /nfs/dbraw/zinc/11/05/50/808110550.db2.gz HLCLJMYJXAPIBY-UHFFFAOYSA-N 3 1 297.531 3.302 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640618 808110553 /nfs/dbraw/zinc/11/05/53/808110553.db2.gz HLCLJMYJXAPIBY-UHFFFAOYSA-N 3 1 297.531 3.302 20 0 CGADMP Cn1ccc2cc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc21 ZINC001172099120 808172661 /nfs/dbraw/zinc/17/26/61/808172661.db2.gz IWOOJPFNBFQRJV-BCDXTJNWSA-N 2 1 297.446 3.283 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172103466 808173691 /nfs/dbraw/zinc/17/36/91/808173691.db2.gz USKPAPNLOAZLRL-BCDXTJNWSA-N 2 1 272.436 3.408 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106895 808176101 /nfs/dbraw/zinc/17/61/01/808176101.db2.gz QTRKXCLGKPIQEY-JONQDZQNSA-N 2 1 273.424 3.056 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107174 808176248 /nfs/dbraw/zinc/17/62/48/808176248.db2.gz UCGJGUXEKAWOCM-UVPYHEFZSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107174 808176249 /nfs/dbraw/zinc/17/62/49/808176249.db2.gz UCGJGUXEKAWOCM-UVPYHEFZSA-N 2 1 252.446 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCc3ccccc3C1)C2 ZINC001172111308 808178473 /nfs/dbraw/zinc/17/84/73/808178473.db2.gz PVBFJIIQYIMSKN-QLIIJSOBSA-N 2 1 298.474 3.396 20 0 CGADMP Cc1cncc([C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172114031 808180308 /nfs/dbraw/zinc/18/03/08/808180308.db2.gz ODCDCOLNEWIIJV-RDGPPVDQSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cncc([C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172114031 808180310 /nfs/dbraw/zinc/18/03/10/808180310.db2.gz ODCDCOLNEWIIJV-RDGPPVDQSA-N 2 1 299.462 3.446 20 0 CGADMP CC(C)c1ncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC001172116800 808180411 /nfs/dbraw/zinc/18/04/11/808180411.db2.gz IRNIENGWRNAEGR-ZSOGYDGISA-N 2 1 293.480 3.371 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccccc3C1)C2 ZINC001172114383 808181001 /nfs/dbraw/zinc/18/10/01/808181001.db2.gz RCIZEVIYRCAMQD-BJWYYQGGSA-N 2 1 256.393 3.018 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cccnc1)C2 ZINC001172114361 808181161 /nfs/dbraw/zinc/18/11/61/808181161.db2.gz RAMKGTZEOUVJIJ-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cccnc1)C2 ZINC001172114361 808181165 /nfs/dbraw/zinc/18/11/65/808181165.db2.gz RAMKGTZEOUVJIJ-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1cccnc1)C2 ZINC001172114361 808181168 /nfs/dbraw/zinc/18/11/68/808181168.db2.gz RAMKGTZEOUVJIJ-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1cccnc1)C2 ZINC001172114361 808181170 /nfs/dbraw/zinc/18/11/70/808181170.db2.gz RAMKGTZEOUVJIJ-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(F)(F)F)CC1)C2 ZINC001172120052 808182260 /nfs/dbraw/zinc/18/22/60/808182260.db2.gz JIEOSUCSYUQUQM-WDNDVIMCSA-N 2 1 290.373 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(F)(F)F)CC1)C2 ZINC001172120052 808182262 /nfs/dbraw/zinc/18/22/62/808182262.db2.gz JIEOSUCSYUQUQM-WDNDVIMCSA-N 2 1 290.373 3.276 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccncc1)C2 ZINC001172120850 808183689 /nfs/dbraw/zinc/18/36/89/808183689.db2.gz GJBRHUBYUUAQSF-XMTFNYHQSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccncc1)C2 ZINC001172120850 808183691 /nfs/dbraw/zinc/18/36/91/808183691.db2.gz GJBRHUBYUUAQSF-XMTFNYHQSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1ccncc1)C2 ZINC001172120850 808183695 /nfs/dbraw/zinc/18/36/95/808183695.db2.gz GJBRHUBYUUAQSF-XMTFNYHQSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1ccncc1)C2 ZINC001172120850 808183697 /nfs/dbraw/zinc/18/36/97/808183697.db2.gz GJBRHUBYUUAQSF-XMTFNYHQSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001172122054 808183704 /nfs/dbraw/zinc/18/37/04/808183704.db2.gz WCDCUDRLFZYFPO-UYVKZUBASA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001172122054 808183708 /nfs/dbraw/zinc/18/37/08/808183708.db2.gz WCDCUDRLFZYFPO-UYVKZUBASA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001172122054 808183712 /nfs/dbraw/zinc/18/37/12/808183712.db2.gz WCDCUDRLFZYFPO-UYVKZUBASA-N 2 1 262.441 3.124 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001172121465 808183746 /nfs/dbraw/zinc/18/37/46/808183746.db2.gz JRMGCGPJHVAAMA-DGXTUMSLSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001172121465 808183747 /nfs/dbraw/zinc/18/37/47/808183747.db2.gz JRMGCGPJHVAAMA-DGXTUMSLSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC001172121465 808183748 /nfs/dbraw/zinc/18/37/48/808183748.db2.gz JRMGCGPJHVAAMA-DGXTUMSLSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC001172121465 808183750 /nfs/dbraw/zinc/18/37/50/808183750.db2.gz JRMGCGPJHVAAMA-DGXTUMSLSA-N 2 1 250.430 3.122 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3CCC(CC3)C1)C2 ZINC001172128821 808185180 /nfs/dbraw/zinc/18/51/80/808185180.db2.gz UPPBTGLMXHGWNS-NDQLQDMOSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3cccnc3)CC1)C2 ZINC001172128085 808185920 /nfs/dbraw/zinc/18/59/20/808185920.db2.gz OEUKHAXOIDLRPS-BWTSREIZSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3cccnc3)CC1)C2 ZINC001172128085 808185922 /nfs/dbraw/zinc/18/59/22/808185922.db2.gz OEUKHAXOIDLRPS-BWTSREIZSA-N 2 1 299.462 3.276 20 0 CGADMP CC[N@H+](C1CCCCC1)C1CC[NH+](CCCOC)CC1 ZINC001172248902 808210211 /nfs/dbraw/zinc/21/02/11/808210211.db2.gz CKFUNGXCBXPOHO-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC[N@@H+](C1CCCCC1)C1CC[NH+](CCCOC)CC1 ZINC001172248902 808210216 /nfs/dbraw/zinc/21/02/16/808210216.db2.gz CKFUNGXCBXPOHO-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172335842 808237898 /nfs/dbraw/zinc/23/78/98/808237898.db2.gz KRWHJCDNZBIYGF-UXLLHSPISA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172335842 808237902 /nfs/dbraw/zinc/23/79/02/808237902.db2.gz KRWHJCDNZBIYGF-UXLLHSPISA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCO[C@@H](C)CC ZINC001172348813 808246689 /nfs/dbraw/zinc/24/66/89/808246689.db2.gz ROXXWUPOZHJKBU-HOTGVXAUSA-N 2 1 272.477 3.244 20 0 CGADMP CC[C@H](CC(C)C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172407507 808295909 /nfs/dbraw/zinc/29/59/09/808295909.db2.gz OAXSHAORZLIRRQ-SJLPKXTDSA-N 2 1 296.499 3.386 20 0 CGADMP CC(C)OCC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172439494 808315752 /nfs/dbraw/zinc/31/57/52/808315752.db2.gz FAXMQQVAABFFGX-IRXDYDNUSA-N 2 1 292.467 3.287 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172661365 808411946 /nfs/dbraw/zinc/41/19/46/808411946.db2.gz SXMGYXBKXANIQR-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172845072 808459585 /nfs/dbraw/zinc/45/95/85/808459585.db2.gz KTOLRVDJWTVVJI-QWHCGFSZSA-N 2 1 298.833 3.342 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173101556 808509760 /nfs/dbraw/zinc/50/97/60/808509760.db2.gz KFPVTRJFMQNZSI-UHFFFAOYSA-N 3 1 297.531 3.351 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C)[C@](C)(O)CC2)CC1 ZINC001173108295 808511648 /nfs/dbraw/zinc/51/16/48/808511648.db2.gz ARDKFZUENCIHPS-FCCDEINASA-N 2 1 296.499 3.122 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)C2CC(F)(F)C2)CC1 ZINC001173109171 808512092 /nfs/dbraw/zinc/51/20/92/808512092.db2.gz YRTLYJYQRMNEFQ-UHFFFAOYSA-N 2 1 274.399 3.369 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)CC1 ZINC001173108346 808512327 /nfs/dbraw/zinc/51/23/27/808512327.db2.gz CHPWEEYCLWMYNE-FCCDEINASA-N 2 1 296.499 3.122 20 0 CGADMP CCN1CCC([N@@H+](C)C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173113698 808513436 /nfs/dbraw/zinc/51/34/36/808513436.db2.gz CARHGQBHJXEIPW-UHFFFAOYSA-N 2 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC001173113698 808513440 /nfs/dbraw/zinc/51/34/40/808513440.db2.gz CARHGQBHJXEIPW-UHFFFAOYSA-N 3 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC001173113698 808513445 /nfs/dbraw/zinc/51/34/45/808513445.db2.gz CARHGQBHJXEIPW-UHFFFAOYSA-N 3 1 295.515 3.056 20 0 CGADMP CCc1ccc(C[C@H](C)n2c(C)c[nH+]c2CC[NH3+])cc1 ZINC001173237881 808545990 /nfs/dbraw/zinc/54/59/90/808545990.db2.gz KLKWKHJKGPRECJ-ZDUSSCGKSA-N 2 1 271.408 3.059 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001173275761 808578559 /nfs/dbraw/zinc/57/85/59/808578559.db2.gz SYOZACZHKPMCKL-JKJDWNRSSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001173275761 808578563 /nfs/dbraw/zinc/57/85/63/808578563.db2.gz SYOZACZHKPMCKL-JKJDWNRSSA-N 2 1 250.430 3.170 20 0 CGADMP CCSC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001173291303 808591178 /nfs/dbraw/zinc/59/11/78/808591178.db2.gz KZKGXDRYEXZVDL-GOEBONIOSA-N 2 1 280.481 3.411 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173338489 808618795 /nfs/dbraw/zinc/61/87/95/808618795.db2.gz AOOSFMMRXMSYAO-HUUCEWRRSA-N 2 1 252.446 3.406 20 0 CGADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001173339384 808620378 /nfs/dbraw/zinc/62/03/78/808620378.db2.gz NZVMMHZSOCBQKT-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001173689317 808665707 /nfs/dbraw/zinc/66/57/07/808665707.db2.gz ROYWSHVDGYKDJI-HFCFLWKCSA-N 2 1 284.447 3.236 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001173689317 808665711 /nfs/dbraw/zinc/66/57/11/808665711.db2.gz ROYWSHVDGYKDJI-HFCFLWKCSA-N 2 1 284.447 3.236 20 0 CGADMP C[NH+](C)Cc1ccccc1Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001173932501 808771056 /nfs/dbraw/zinc/77/10/56/808771056.db2.gz VVTLSKOLTXTXPU-UHFFFAOYSA-N 2 1 295.430 3.480 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1ccc(F)cc1)C2 ZINC001274879364 808889779 /nfs/dbraw/zinc/88/97/79/808889779.db2.gz KQHBDNHZTRTUOY-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCc1ccc(F)cc1)C2 ZINC001274879364 808889786 /nfs/dbraw/zinc/88/97/86/808889786.db2.gz KQHBDNHZTRTUOY-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001274879364 808889789 /nfs/dbraw/zinc/88/97/89/808889789.db2.gz KQHBDNHZTRTUOY-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCc3c[nH]c4ccccc34)C2)CC1 ZINC001275046811 808900967 /nfs/dbraw/zinc/90/09/67/808900967.db2.gz CXGTXIXAKDHAPC-UHFFFAOYSA-N 2 1 297.446 3.128 20 0 CGADMP c1c[nH]c(C[N@@H+]2CCCC3(CC[NH+](CC4CC4)CC3)C2)c1 ZINC001275137007 808915355 /nfs/dbraw/zinc/91/53/55/808915355.db2.gz JKCBJEZAVALPLD-UHFFFAOYSA-N 2 1 287.451 3.103 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001275164662 808918989 /nfs/dbraw/zinc/91/89/89/808918989.db2.gz OHLQJFYWSMNWDM-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(C)c1C ZINC001275281398 808925678 /nfs/dbraw/zinc/92/56/78/808925678.db2.gz ZRBYMBGXIYHHEI-ALOPSCKCSA-N 2 1 288.435 3.027 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2o1 ZINC001275716513 808960050 /nfs/dbraw/zinc/96/00/50/808960050.db2.gz KREPBGJJIQZFMT-GOOCMWNKSA-N 2 1 270.376 3.148 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2o1 ZINC001275716513 808960055 /nfs/dbraw/zinc/96/00/55/808960055.db2.gz KREPBGJJIQZFMT-GOOCMWNKSA-N 2 1 270.376 3.148 20 0 CGADMP Cc1ccsc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275859801 808971034 /nfs/dbraw/zinc/97/10/34/808971034.db2.gz VOEUZDUBLUNEOU-UHFFFAOYSA-N 2 1 278.465 3.364 20 0 CGADMP CCOc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001276394889 809004803 /nfs/dbraw/zinc/00/48/03/809004803.db2.gz MIDNWACXTIUSSX-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001276394889 809004808 /nfs/dbraw/zinc/00/48/08/809004808.db2.gz MIDNWACXTIUSSX-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001276394889 809004814 /nfs/dbraw/zinc/00/48/14/809004814.db2.gz MIDNWACXTIUSSX-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001276394889 809004820 /nfs/dbraw/zinc/00/48/20/809004820.db2.gz MIDNWACXTIUSSX-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(C)n1 ZINC001276418770 809006512 /nfs/dbraw/zinc/00/65/12/809006512.db2.gz KTIDWDNHNCQRAA-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(C)n1 ZINC001276418770 809006519 /nfs/dbraw/zinc/00/65/19/809006519.db2.gz KTIDWDNHNCQRAA-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(C)n1 ZINC001276418770 809006524 /nfs/dbraw/zinc/00/65/24/809006524.db2.gz KTIDWDNHNCQRAA-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(C)n1 ZINC001276418770 809006530 /nfs/dbraw/zinc/00/65/30/809006530.db2.gz KTIDWDNHNCQRAA-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1)c1ccccc1 ZINC001276436516 809008765 /nfs/dbraw/zinc/00/87/65/809008765.db2.gz QZERRAJOABDGOQ-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@H](C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1)c1ccccc1 ZINC001276436516 809008772 /nfs/dbraw/zinc/00/87/72/809008772.db2.gz QZERRAJOABDGOQ-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@H](C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1)c1ccccc1 ZINC001276436516 809008780 /nfs/dbraw/zinc/00/87/80/809008780.db2.gz QZERRAJOABDGOQ-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCC3CCCC3)C2)C1 ZINC001276514256 809013862 /nfs/dbraw/zinc/01/38/62/809013862.db2.gz XCCRYGFUCISDTI-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001276514256 809013873 /nfs/dbraw/zinc/01/38/73/809013873.db2.gz XCCRYGFUCISDTI-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001276514256 809013881 /nfs/dbraw/zinc/01/38/81/809013881.db2.gz XCCRYGFUCISDTI-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cncc(Cl)c3)CC2)C1 ZINC001276754329 809029186 /nfs/dbraw/zinc/02/91/86/809029186.db2.gz IYGHVJFSSSBXPD-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ccc(F)cc12 ZINC001276796003 809034132 /nfs/dbraw/zinc/03/41/32/809034132.db2.gz NBEXMVPEHKODAQ-GOOCMWNKSA-N 2 1 287.382 3.022 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(F)cc12 ZINC001276796003 809034139 /nfs/dbraw/zinc/03/41/39/809034139.db2.gz NBEXMVPEHKODAQ-GOOCMWNKSA-N 2 1 287.382 3.022 20 0 CGADMP Cc1ccc(CC[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001278072082 809113917 /nfs/dbraw/zinc/11/39/17/809113917.db2.gz DJZIKPQJVNQZFN-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001278072082 809113919 /nfs/dbraw/zinc/11/39/19/809113919.db2.gz DJZIKPQJVNQZFN-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(CC[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001278072082 809113920 /nfs/dbraw/zinc/11/39/20/809113920.db2.gz DJZIKPQJVNQZFN-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1c[nH+]c(Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001174814529 809170048 /nfs/dbraw/zinc/17/00/48/809170048.db2.gz FAEDBWWCSZOEAN-UHFFFAOYSA-N 2 1 296.418 3.194 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC001177337915 809795502 /nfs/dbraw/zinc/79/55/02/809795502.db2.gz OFSNMIJOQBTJBV-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001179160455 809907810 /nfs/dbraw/zinc/90/78/10/809907810.db2.gz WXPJQQGJVBGPJX-OAHLLOKOSA-N 2 1 290.451 3.079 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001179818417 809948979 /nfs/dbraw/zinc/94/89/79/809948979.db2.gz YGNAUVBZYYUCBQ-OKZBNKHCSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@H](c1nccc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC001180794422 810022175 /nfs/dbraw/zinc/02/21/75/810022175.db2.gz OLZHIITWIIYVNB-HUUCEWRRSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CC(C)(C)Oc1ccccc1 ZINC001181234426 810043571 /nfs/dbraw/zinc/04/35/71/810043571.db2.gz KPHIKHFRMICDQR-UHFFFAOYSA-N 2 1 290.451 3.262 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001182910832 810130725 /nfs/dbraw/zinc/13/07/25/810130725.db2.gz QYEBDUFRAVXALM-IAGOWNOFSA-N 2 1 286.463 3.113 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001184387756 810196919 /nfs/dbraw/zinc/19/69/19/810196919.db2.gz NEOVCZNAOVMPJR-DGADGQDISA-N 2 1 264.457 3.131 20 0 CGADMP C[C@H]1CCC[C@H](CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001196788494 811366304 /nfs/dbraw/zinc/36/63/04/811366304.db2.gz BQTITFBUQGYXGU-HZMVEIRTSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H]1CCC[C@H](CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001196788494 811366312 /nfs/dbraw/zinc/36/63/12/811366312.db2.gz BQTITFBUQGYXGU-HZMVEIRTSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H]1CCC[C@H](CC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001196788494 811366321 /nfs/dbraw/zinc/36/63/21/811366321.db2.gz BQTITFBUQGYXGU-HZMVEIRTSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC001199743612 811593746 /nfs/dbraw/zinc/59/37/46/811593746.db2.gz XSNDJROJTGIMKA-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC001199743612 811593752 /nfs/dbraw/zinc/59/37/52/811593752.db2.gz XSNDJROJTGIMKA-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201479051 811855951 /nfs/dbraw/zinc/85/59/51/811855951.db2.gz YJXGDYLCUGOFQO-UHFFFAOYSA-N 2 1 272.436 3.165 20 0 CGADMP CCC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201552648 811900569 /nfs/dbraw/zinc/90/05/69/811900569.db2.gz PNYVWAFYVOKOPG-QRQLOZEOSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201552648 811900576 /nfs/dbraw/zinc/90/05/76/811900576.db2.gz PNYVWAFYVOKOPG-QRQLOZEOSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201552648 811900582 /nfs/dbraw/zinc/90/05/82/811900582.db2.gz PNYVWAFYVOKOPG-QRQLOZEOSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001203297651 812299300 /nfs/dbraw/zinc/29/93/00/812299300.db2.gz QIJJOWGGEFALJO-JKSUJKDBSA-N 2 1 276.424 3.427 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001203297651 812299309 /nfs/dbraw/zinc/29/93/09/812299309.db2.gz QIJJOWGGEFALJO-JKSUJKDBSA-N 2 1 276.424 3.427 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001203297651 812299315 /nfs/dbraw/zinc/29/93/15/812299315.db2.gz QIJJOWGGEFALJO-JKSUJKDBSA-N 2 1 276.424 3.427 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001203297651 812299321 /nfs/dbraw/zinc/29/93/21/812299321.db2.gz QIJJOWGGEFALJO-JKSUJKDBSA-N 2 1 276.424 3.427 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001204068420 812539453 /nfs/dbraw/zinc/53/94/53/812539453.db2.gz HHMZLZLGUNGYLF-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001204068420 812539460 /nfs/dbraw/zinc/53/94/60/812539460.db2.gz HHMZLZLGUNGYLF-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204266134 812592380 /nfs/dbraw/zinc/59/23/80/812592380.db2.gz LFDNSLJEHFSKBO-MRXNPFEDSA-N 2 1 290.451 3.249 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC001204591568 812682984 /nfs/dbraw/zinc/68/29/84/812682984.db2.gz GSJNSNBONAHGQN-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP CC1(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CCCCC1 ZINC001204727959 812718887 /nfs/dbraw/zinc/71/88/87/812718887.db2.gz YGTIKCROFDQJCW-UHFFFAOYSA-N 2 1 264.457 3.422 20 0 CGADMP Fc1ccccc1CCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727646 812719187 /nfs/dbraw/zinc/71/91/87/812719187.db2.gz IBGLOJMUDAJNIH-UHFFFAOYSA-N 2 1 290.426 3.224 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204885578 812763623 /nfs/dbraw/zinc/76/36/23/812763623.db2.gz YGMRKIRBWDZTRL-HNNXBMFYSA-N 2 1 254.377 3.071 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204885578 812763630 /nfs/dbraw/zinc/76/36/30/812763630.db2.gz YGMRKIRBWDZTRL-HNNXBMFYSA-N 2 1 254.377 3.071 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)c2ccccc12 ZINC001204937374 812784923 /nfs/dbraw/zinc/78/49/23/812784923.db2.gz CSMKKHBCPIGCIW-SFHVURJKSA-N 2 1 284.403 3.162 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)c2ccccc12 ZINC001204937374 812784929 /nfs/dbraw/zinc/78/49/29/812784929.db2.gz CSMKKHBCPIGCIW-SFHVURJKSA-N 2 1 284.403 3.162 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204937362 812785449 /nfs/dbraw/zinc/78/54/49/812785449.db2.gz COFKETNTYDAGGP-RDJZCZTQSA-N 2 1 284.488 3.421 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)CCO1 ZINC001205007004 812823459 /nfs/dbraw/zinc/82/34/59/812823459.db2.gz BWHYVTJZLRJFEV-SJORKVTESA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1-c1ccncc1 ZINC001205082302 812851360 /nfs/dbraw/zinc/85/13/60/812851360.db2.gz FXYRBZMDUANPSW-YOEHRIQHSA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1-c1ccncc1 ZINC001205082302 812851369 /nfs/dbraw/zinc/85/13/69/812851369.db2.gz FXYRBZMDUANPSW-YOEHRIQHSA-N 2 1 281.403 3.060 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095586 812860959 /nfs/dbraw/zinc/86/09/59/812860959.db2.gz ZQTWIFDYWPMNNM-HZPDHXFCSA-N 2 1 284.488 3.421 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@H]([NH3+])CC3)c[nH]c21 ZINC001205101449 812865593 /nfs/dbraw/zinc/86/55/93/812865593.db2.gz FJWJFHKEADZOLG-HNNXBMFYSA-N 2 1 271.408 3.044 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205110326 812870718 /nfs/dbraw/zinc/87/07/18/812870718.db2.gz SGRQDTUQXXOHCF-ZDUSSCGKSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205110326 812870727 /nfs/dbraw/zinc/87/07/27/812870727.db2.gz SGRQDTUQXXOHCF-ZDUSSCGKSA-N 2 1 286.341 3.327 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2cccnc2)CC1 ZINC001205110548 812871092 /nfs/dbraw/zinc/87/10/92/812871092.db2.gz VTBXGINIDZOJRU-KRWDZBQOSA-N 2 1 281.403 3.062 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123641 812876760 /nfs/dbraw/zinc/87/67/60/812876760.db2.gz DHIDIAHTCCEVNR-ZDUSSCGKSA-N 2 1 284.856 3.375 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123641 812876770 /nfs/dbraw/zinc/87/67/70/812876770.db2.gz DHIDIAHTCCEVNR-ZDUSSCGKSA-N 2 1 284.856 3.375 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205123616 812877380 /nfs/dbraw/zinc/87/73/80/812877380.db2.gz CVXJEVHJGYJWPV-AWEZNQCLSA-N 2 1 264.438 3.030 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC001205140508 812884929 /nfs/dbraw/zinc/88/49/29/812884929.db2.gz KNHFDMGINNLQLW-MAUKXSAKSA-N 2 1 280.415 3.380 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205145922 812886241 /nfs/dbraw/zinc/88/62/41/812886241.db2.gz METDVRXHOXMIOI-WCQYABFASA-N 2 1 286.341 3.040 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205145922 812886248 /nfs/dbraw/zinc/88/62/48/812886248.db2.gz METDVRXHOXMIOI-WCQYABFASA-N 2 1 286.341 3.040 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)Cc2ccccc21 ZINC001205164987 812895493 /nfs/dbraw/zinc/89/54/93/812895493.db2.gz ZIPFQBSIYPVBCD-AWEZNQCLSA-N 2 1 266.388 3.265 20 0 CGADMP Cc1cccc2c1CC[N@@H+](Cc1cccc(C[NH3+])c1)C2 ZINC001205164742 812895555 /nfs/dbraw/zinc/89/55/55/812895555.db2.gz RRDOJPZWYZYUMB-UHFFFAOYSA-N 2 1 266.388 3.012 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)Cc2ccccc21 ZINC001205164988 812895688 /nfs/dbraw/zinc/89/56/88/812895688.db2.gz ZIPFQBSIYPVBCD-CQSZACIVSA-N 2 1 266.388 3.265 20 0 CGADMP Cc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001205164750 812896039 /nfs/dbraw/zinc/89/60/39/812896039.db2.gz RXCTVULNDSWEOZ-UHFFFAOYSA-N 2 1 278.399 3.157 20 0 CGADMP Cc1cc(C)c(-c2ccc(OCCC[NH+](C)C)nc2)c(C)[nH+]1 ZINC001205261110 812920573 /nfs/dbraw/zinc/92/05/73/812920573.db2.gz DOPIYKSBNVYAAK-UHFFFAOYSA-N 2 1 299.418 3.399 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2-c2cccnc2)CC1 ZINC001205273290 812925022 /nfs/dbraw/zinc/92/50/22/812925022.db2.gz JSFRWNCUJHQCFN-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1C(F)F ZINC001205287748 812931369 /nfs/dbraw/zinc/93/13/69/812931369.db2.gz BPVHBFLVQRYXEF-INIZCTEOSA-N 2 1 298.377 3.336 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1(C)C ZINC001205297141 812936967 /nfs/dbraw/zinc/93/69/67/812936967.db2.gz ZWGQXLTZAQUGMF-VNQPRFMTSA-N 2 1 264.457 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C[C@@H]1C[NH3+] ZINC001205304050 812942130 /nfs/dbraw/zinc/94/21/30/812942130.db2.gz NGQNDSVMEVCROH-RYUDHWBXSA-N 2 1 291.826 3.238 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C[C@H]1C[NH3+] ZINC001205304348 812942703 /nfs/dbraw/zinc/94/27/03/812942703.db2.gz OATJGLOZCNYJEY-CRAIPNDOSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205306554 812944099 /nfs/dbraw/zinc/94/40/99/812944099.db2.gz XFLDIXVUAGLHPL-MAUKXSAKSA-N 2 1 295.430 3.165 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC001205314934 812947576 /nfs/dbraw/zinc/94/75/76/812947576.db2.gz DQSRFJOBLVDZED-YOEHRIQHSA-N 2 1 290.451 3.199 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205314374 812947879 /nfs/dbraw/zinc/94/78/79/812947879.db2.gz BFNVUMRQYWXWGR-DOMZBBRYSA-N 2 1 280.843 3.319 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205314374 812947881 /nfs/dbraw/zinc/94/78/81/812947881.db2.gz BFNVUMRQYWXWGR-DOMZBBRYSA-N 2 1 280.843 3.319 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205324917 812954274 /nfs/dbraw/zinc/95/42/74/812954274.db2.gz HWOHHBZSXNDQJN-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205324917 812954278 /nfs/dbraw/zinc/95/42/78/812954278.db2.gz HWOHHBZSXNDQJN-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001205559428 813002873 /nfs/dbraw/zinc/00/28/73/813002873.db2.gz QLSVJNILASCGAK-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001205571809 813007609 /nfs/dbraw/zinc/00/76/09/813007609.db2.gz YGBAMAXPYFCCTL-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205603516 813018989 /nfs/dbraw/zinc/01/89/89/813018989.db2.gz PQGMNBMQHOOGNS-TZMCWYRMSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)CC[C@H]1C[NH3+] ZINC001205603356 813019326 /nfs/dbraw/zinc/01/93/26/813019326.db2.gz OLQDFEUFCYSFRY-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205603094 813019407 /nfs/dbraw/zinc/01/94/07/813019407.db2.gz NRCWYRQSFRQVSU-PBHICJAKSA-N 2 1 260.425 3.056 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CC1 ZINC001205603387 813019744 /nfs/dbraw/zinc/01/97/44/813019744.db2.gz OVAXPMYWSACQPC-QAETUUGQSA-N 2 1 264.457 3.286 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618287 813028134 /nfs/dbraw/zinc/02/81/34/813028134.db2.gz UGCICMGNKIKXRI-JSGCOSHPSA-N 2 1 280.843 3.455 20 0 CGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1Cl ZINC001205617980 813028445 /nfs/dbraw/zinc/02/84/45/813028445.db2.gz QDTIYPGLUPQUEW-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)c3ccccc23)CC[C@H]1C[NH3+] ZINC001205617699 813029012 /nfs/dbraw/zinc/02/90/12/813029012.db2.gz MNBRQQSIXDTATH-GJZGRUSLSA-N 2 1 298.430 3.352 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@H]1C[NH3+] ZINC001205627546 813032240 /nfs/dbraw/zinc/03/22/40/813032240.db2.gz QKVZLCLCRGGOLL-WFASDCNBSA-N 2 1 282.378 3.431 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205628454 813034161 /nfs/dbraw/zinc/03/41/61/813034161.db2.gz VGJADMRLDQUVDK-GDBMZVCRSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC[C@@H]1C[NH3+] ZINC001205639562 813037517 /nfs/dbraw/zinc/03/75/17/813037517.db2.gz ZXNTXBGYQYRBNW-WDEREUQCSA-N 2 1 290.329 3.105 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCCC3)CC[C@H]1C[NH3+] ZINC001205639115 813038431 /nfs/dbraw/zinc/03/84/31/813038431.db2.gz VXQZHQRRZPXNMO-WBVHZDCISA-N 2 1 286.463 3.372 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205781654 813075799 /nfs/dbraw/zinc/07/57/99/813075799.db2.gz XQIFLTADENBTBC-MRXNPFEDSA-N 2 1 296.405 3.301 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205781654 813075803 /nfs/dbraw/zinc/07/58/03/813075803.db2.gz XQIFLTADENBTBC-MRXNPFEDSA-N 2 1 296.405 3.301 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205829309 813100583 /nfs/dbraw/zinc/10/05/83/813100583.db2.gz OHIGUDCYNVXFRU-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205829309 813100588 /nfs/dbraw/zinc/10/05/88/813100588.db2.gz OHIGUDCYNVXFRU-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001205829122 813100878 /nfs/dbraw/zinc/10/08/78/813100878.db2.gz OBIUASMUMVDZID-YJBOKZPZSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001205829122 813100880 /nfs/dbraw/zinc/10/08/80/813100880.db2.gz OBIUASMUMVDZID-YJBOKZPZSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001205844352 813105409 /nfs/dbraw/zinc/10/54/09/813105409.db2.gz WOCXSCPNONBDGC-YOEHRIQHSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001205844352 813105414 /nfs/dbraw/zinc/10/54/14/813105414.db2.gz WOCXSCPNONBDGC-YOEHRIQHSA-N 2 1 272.436 3.125 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CC1 ZINC001205902807 813124751 /nfs/dbraw/zinc/12/47/51/813124751.db2.gz LURBVIZIIAUKPP-VGWMRTNUSA-N 2 1 250.430 3.038 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205902602 813125060 /nfs/dbraw/zinc/12/50/60/813125060.db2.gz KWEQHDAYIKBCDE-GJZGRUSLSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC001205904712 813126107 /nfs/dbraw/zinc/12/61/07/813126107.db2.gz WQXZWGWBGVKPQX-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)s1 ZINC001205903764 813126252 /nfs/dbraw/zinc/12/62/52/813126252.db2.gz QZIMNULYHNDRFT-CHWSQXEVSA-N 2 1 266.454 3.260 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205904623 813126451 /nfs/dbraw/zinc/12/64/51/813126451.db2.gz WDBPOSXFUCLUJP-XHSDSOJGSA-N 2 1 252.446 3.428 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c21 ZINC001205903859 813126594 /nfs/dbraw/zinc/12/65/94/813126594.db2.gz RINHHBMWEPFFPO-UONOGXRCSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205912904 813130026 /nfs/dbraw/zinc/13/00/26/813130026.db2.gz DURQEESVXPUNNG-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205914058 813130760 /nfs/dbraw/zinc/13/07/60/813130760.db2.gz KTTOHPSRXDJBJH-LSDHHAIUSA-N 2 1 260.425 3.369 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205913778 813130907 /nfs/dbraw/zinc/13/09/07/813130907.db2.gz JTFIFONDCHIHIX-UONOGXRCSA-N 2 1 294.414 3.174 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205913778 813130910 /nfs/dbraw/zinc/13/09/10/813130910.db2.gz JTFIFONDCHIHIX-UONOGXRCSA-N 2 1 294.414 3.174 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2ccccc2F)CCC[C@H]1C[NH3+] ZINC001205982563 813151788 /nfs/dbraw/zinc/15/17/88/813151788.db2.gz MILYXDUYEJCMEJ-ZBFHGGJFSA-N 2 1 278.415 3.065 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206004753 813161101 /nfs/dbraw/zinc/16/11/01/813161101.db2.gz UXZBSNZLDNQVKG-HOTGVXAUSA-N 2 1 299.462 3.468 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CCC[C@H]1C[NH3+] ZINC001206005658 813162549 /nfs/dbraw/zinc/16/25/49/813162549.db2.gz YYBGNBZKJQWKNY-HOCLYGCPSA-N 2 1 272.436 3.371 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206005972 813162649 /nfs/dbraw/zinc/16/26/49/813162649.db2.gz ZQSVDYGLMNIWMC-UONOGXRCSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3occc3c2)CCC[C@H]1C[NH3+] ZINC001206005526 813162793 /nfs/dbraw/zinc/16/27/93/813162793.db2.gz YKQZSLUVHLFQBL-BBRMVZONSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2-n2cccc2)CCC[C@@H]1C[NH3+] ZINC001206013711 813164600 /nfs/dbraw/zinc/16/46/00/813164600.db2.gz TXHMMTDOIUDYNL-IAGOWNOFSA-N 2 1 297.446 3.284 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206024116 813168728 /nfs/dbraw/zinc/16/87/28/813168728.db2.gz HVIPBHOIIPUOPG-KGLIPLIRSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c2ccccc12 ZINC001206036005 813176230 /nfs/dbraw/zinc/17/62/30/813176230.db2.gz DREALVSDFJZVDC-RDTXWAMCSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c2ccccc12 ZINC001206036005 813176233 /nfs/dbraw/zinc/17/62/33/813176233.db2.gz DREALVSDFJZVDC-RDTXWAMCSA-N 2 1 268.404 3.317 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206164892 813222042 /nfs/dbraw/zinc/22/20/42/813222042.db2.gz LNTFAZRHCFHYBG-JKSUJKDBSA-N 2 1 278.415 3.245 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2)CC[C@@H]1F ZINC001206175229 813226259 /nfs/dbraw/zinc/22/62/59/813226259.db2.gz SPRVXZLFKRDPQR-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC[C@@H]1F ZINC001206175229 813226264 /nfs/dbraw/zinc/22/62/64/813226264.db2.gz SPRVXZLFKRDPQR-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Cl ZINC001206197999 813236491 /nfs/dbraw/zinc/23/64/91/813236491.db2.gz KSHZCIXTTFKAAQ-HUUCEWRRSA-N 2 1 284.806 3.164 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Cl ZINC001206197999 813236494 /nfs/dbraw/zinc/23/64/94/813236494.db2.gz KSHZCIXTTFKAAQ-HUUCEWRRSA-N 2 1 284.806 3.164 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206210670 813241306 /nfs/dbraw/zinc/24/13/06/813241306.db2.gz LCYUXXFRNPAJMS-SJORKVTESA-N 2 1 294.414 3.043 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001206292531 813275241 /nfs/dbraw/zinc/27/52/41/813275241.db2.gz COVSMXPRFOXTNB-BBWFWOEESA-N 2 1 264.457 3.430 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001206296875 813276264 /nfs/dbraw/zinc/27/62/64/813276264.db2.gz VGOMALXIYHOLNC-MRXNPFEDSA-N 2 1 252.446 3.408 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206297006 813277166 /nfs/dbraw/zinc/27/71/66/813277166.db2.gz WHRLFNILCJADIT-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC001206304214 813279844 /nfs/dbraw/zinc/27/98/44/813279844.db2.gz HOCZCPDZIOKTKQ-HNNXBMFYSA-N 2 1 286.341 3.055 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c[nH]c21 ZINC001206304869 813281427 /nfs/dbraw/zinc/28/14/27/813281427.db2.gz QAYRDVZVTYKSNV-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001206305216 813282221 /nfs/dbraw/zinc/28/22/21/813282221.db2.gz WELMRTBTFPYHGR-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC001206305153 813282278 /nfs/dbraw/zinc/28/22/78/813282278.db2.gz UYAMUJQPNLXUQW-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206311741 813284758 /nfs/dbraw/zinc/28/47/58/813284758.db2.gz UBIRVXSTPNNLMQ-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206317533 813287728 /nfs/dbraw/zinc/28/77/28/813287728.db2.gz GQGBMZUZADNAJW-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC001206318457 813287743 /nfs/dbraw/zinc/28/77/43/813287743.db2.gz PSHNFSWOYFKMSS-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001206547162 813346618 /nfs/dbraw/zinc/34/66/18/813346618.db2.gz CHMZTOIBZLSOGV-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1F ZINC001206549389 813348368 /nfs/dbraw/zinc/34/83/68/813348368.db2.gz METDRNQSGPHKCB-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206549953 813350010 /nfs/dbraw/zinc/35/00/10/813350010.db2.gz RXGKPJJWHFBAGA-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206565956 813356244 /nfs/dbraw/zinc/35/62/44/813356244.db2.gz WOWYIZCIDBSMND-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206565956 813356246 /nfs/dbraw/zinc/35/62/46/813356246.db2.gz WOWYIZCIDBSMND-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582976 813361439 /nfs/dbraw/zinc/36/14/39/813361439.db2.gz RBKCQLHLJFDDNN-HNNXBMFYSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582976 813361445 /nfs/dbraw/zinc/36/14/45/813361445.db2.gz RBKCQLHLJFDDNN-HNNXBMFYSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@H+](Cc1cc(F)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582947 813361903 /nfs/dbraw/zinc/36/19/03/813361903.db2.gz QTWVHDQRXKHMOO-OAHLLOKOSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@@H+](Cc1cc(F)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582947 813361906 /nfs/dbraw/zinc/36/19/06/813361906.db2.gz QTWVHDQRXKHMOO-OAHLLOKOSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@H+](CCC[NH2+]C1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC001206582948 813362054 /nfs/dbraw/zinc/36/20/54/813362054.db2.gz QUWBTTSGIMPKSL-GOSISDBHSA-N 3 1 295.515 3.151 20 0 CGADMP CC(C)[N@@H+](CCC[NH2+]C1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC001206582948 813362061 /nfs/dbraw/zinc/36/20/61/813362061.db2.gz QUWBTTSGIMPKSL-GOSISDBHSA-N 3 1 295.515 3.151 20 0 CGADMP CCOc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206592213 813366711 /nfs/dbraw/zinc/36/67/11/813366711.db2.gz YJAUIORANHDGPP-QGZVFWFLSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206606336 813373460 /nfs/dbraw/zinc/37/34/60/813373460.db2.gz LDVJUYKFVSPGQH-QGZVFWFLSA-N 2 1 274.452 3.413 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@H](C[NH3+])C2)o1 ZINC001206606143 813373544 /nfs/dbraw/zinc/37/35/44/813373544.db2.gz FMIPFBHNMNHTDJ-UKRRQHHQSA-N 2 1 264.413 3.142 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001206623836 813379020 /nfs/dbraw/zinc/37/90/20/813379020.db2.gz PBWIOJIHELSYKH-KRWDZBQOSA-N 2 1 295.430 3.309 20 0 CGADMP Cc1nc2cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)ccc2s1 ZINC001206640735 813383496 /nfs/dbraw/zinc/38/34/96/813383496.db2.gz MAJJTYQYMNWMPW-CQSZACIVSA-N 2 1 289.448 3.166 20 0 CGADMP CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714766 813405545 /nfs/dbraw/zinc/40/55/45/813405545.db2.gz LAAUXGASSBXUOS-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)CC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714766 813405547 /nfs/dbraw/zinc/40/55/47/813405547.db2.gz LAAUXGASSBXUOS-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001206729714 813410215 /nfs/dbraw/zinc/41/02/15/813410215.db2.gz ICECHGYTPGESLT-UHFFFAOYSA-N 2 1 272.417 3.196 20 0 CGADMP Cc1cncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001207161671 813502367 /nfs/dbraw/zinc/50/23/67/813502367.db2.gz DCJVFIRGHZOUTB-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001207161671 813502371 /nfs/dbraw/zinc/50/23/71/813502371.db2.gz DCJVFIRGHZOUTB-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cncc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001207161671 813502376 /nfs/dbraw/zinc/50/23/76/813502376.db2.gz DCJVFIRGHZOUTB-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cncc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001207161671 813502382 /nfs/dbraw/zinc/50/23/82/813502382.db2.gz DCJVFIRGHZOUTB-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC2(CCCC2)C1 ZINC001207278739 813532136 /nfs/dbraw/zinc/53/21/36/813532136.db2.gz DAKGLHZMVUYYIV-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001207282323 813534083 /nfs/dbraw/zinc/53/40/83/813534083.db2.gz HYXDFLKOCVCPDO-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCc2ccccc2F)CC1 ZINC001207502248 813580592 /nfs/dbraw/zinc/58/05/92/813580592.db2.gz QYVXOMCLFIWWFA-UHFFFAOYSA-N 2 1 292.442 3.420 20 0 CGADMP COCC[N@@H+](CCCC1CCCCC1)C1CCN(C)CC1 ZINC001207608042 813611005 /nfs/dbraw/zinc/61/10/05/813611005.db2.gz MGSKNMSUPNLBSM-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC3(CCCC3)C2)CCCC1 ZINC001208190513 813738403 /nfs/dbraw/zinc/73/84/03/813738403.db2.gz FPVKCQNOYDFQJC-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)CC1 ZINC001208592980 813769471 /nfs/dbraw/zinc/76/94/71/813769471.db2.gz NRKFOOMCIJFMAQ-HUUCEWRRSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001208604082 813771032 /nfs/dbraw/zinc/77/10/32/813771032.db2.gz LADBITHQCHWIPX-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)c1 ZINC001208604082 813771036 /nfs/dbraw/zinc/77/10/36/813771036.db2.gz LADBITHQCHWIPX-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208604082 813771038 /nfs/dbraw/zinc/77/10/38/813771038.db2.gz LADBITHQCHWIPX-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208604082 813771041 /nfs/dbraw/zinc/77/10/41/813771041.db2.gz LADBITHQCHWIPX-AEFFLSMTSA-N 2 1 272.436 3.474 20 0 CGADMP CC(C)(CC[N@H+]1CCc2[nH+]ccn2CC1)c1ccccc1 ZINC001208670014 813791015 /nfs/dbraw/zinc/79/10/15/813791015.db2.gz UTXZDCLRONKDHT-UHFFFAOYSA-N 2 1 283.419 3.109 20 0 CGADMP CC(C)(CC[N@@H+]1CCc2[nH+]ccn2CC1)c1ccccc1 ZINC001208670014 813791020 /nfs/dbraw/zinc/79/10/20/813791020.db2.gz UTXZDCLRONKDHT-UHFFFAOYSA-N 2 1 283.419 3.109 20 0 CGADMP CC[N@@H+](C)C1CCN(CCCc2ccc(F)cc2)CC1 ZINC001208775181 813842445 /nfs/dbraw/zinc/84/24/45/813842445.db2.gz KTOZSVGATWKVBL-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208775181 813842458 /nfs/dbraw/zinc/84/24/58/813842458.db2.gz KTOZSVGATWKVBL-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208775181 813842468 /nfs/dbraw/zinc/84/24/68/813842468.db2.gz KTOZSVGATWKVBL-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP C1=CO[C@H](C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001208881010 813878884 /nfs/dbraw/zinc/87/88/84/813878884.db2.gz VMPMPXWIRHCEMJ-KRWDZBQOSA-N 2 1 290.451 3.020 20 0 CGADMP C1=CO[C@H](C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001208881010 813878893 /nfs/dbraw/zinc/87/88/93/813878893.db2.gz VMPMPXWIRHCEMJ-KRWDZBQOSA-N 2 1 290.451 3.020 20 0 CGADMP C[N@@H+](C[C@@H]1CCC=CO1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208884235 813882740 /nfs/dbraw/zinc/88/27/40/813882740.db2.gz DVJCOWIXVWVMCP-SFHVURJKSA-N 2 1 292.467 3.408 20 0 CGADMP CC1(C)[C@@H]2C[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208951967 813908220 /nfs/dbraw/zinc/90/82/20/813908220.db2.gz GHQWULDEMFQGTI-KURKYZTESA-N 2 1 284.447 3.096 20 0 CGADMP CC1(C)[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208951967 813908225 /nfs/dbraw/zinc/90/82/25/813908225.db2.gz GHQWULDEMFQGTI-KURKYZTESA-N 2 1 284.447 3.096 20 0 CGADMP CC1(C)[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208951967 813908231 /nfs/dbraw/zinc/90/82/31/813908231.db2.gz GHQWULDEMFQGTI-KURKYZTESA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@]1(F)CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940536 813908798 /nfs/dbraw/zinc/90/87/98/813908798.db2.gz DEDKLUATOIFXMH-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940536 813908803 /nfs/dbraw/zinc/90/88/03/813908803.db2.gz DEDKLUATOIFXMH-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@]1(F)CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940536 813908806 /nfs/dbraw/zinc/90/88/06/813908806.db2.gz DEDKLUATOIFXMH-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@]1(F)CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940536 813908814 /nfs/dbraw/zinc/90/88/14/813908814.db2.gz DEDKLUATOIFXMH-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952995 813909941 /nfs/dbraw/zinc/90/99/41/813909941.db2.gz NHTQCOZEBURAMT-ROUUACIJSA-N 2 1 286.463 3.486 20 0 CGADMP C[NH+](C[C@@H]1CC1(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952995 813909946 /nfs/dbraw/zinc/90/99/46/813909946.db2.gz NHTQCOZEBURAMT-ROUUACIJSA-N 2 1 286.463 3.486 20 0 CGADMP C[NH+](C[C@@H]1CC1(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952995 813909952 /nfs/dbraw/zinc/90/99/52/813909952.db2.gz NHTQCOZEBURAMT-ROUUACIJSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCOc2ccccc2)CC1 ZINC001209303357 813996966 /nfs/dbraw/zinc/99/69/66/813996966.db2.gz SLLHFWLULZSQLP-UHFFFAOYSA-N 2 1 290.451 3.118 20 0 CGADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001209450707 814047177 /nfs/dbraw/zinc/04/71/77/814047177.db2.gz ASKUUJASLWTIHF-MSOLQXFVSA-N 2 1 294.483 3.001 20 0 CGADMP FC[C@]1(C(F)(F)F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448142 814047909 /nfs/dbraw/zinc/04/79/09/814047909.db2.gz NWLKZFHLCKCPBE-CYBMUJFWSA-N 2 1 296.352 3.086 20 0 CGADMP FC[C@]1(C(F)(F)F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448142 814047917 /nfs/dbraw/zinc/04/79/17/814047917.db2.gz NWLKZFHLCKCPBE-CYBMUJFWSA-N 2 1 296.352 3.086 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4C)C[C@@H]2C1 ZINC001209494374 814062345 /nfs/dbraw/zinc/06/23/45/814062345.db2.gz PMECSUSNTLLHEX-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4C)C[C@@H]2C1 ZINC001209494374 814062356 /nfs/dbraw/zinc/06/23/56/814062356.db2.gz PMECSUSNTLLHEX-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C)C[C@@H]2C1 ZINC001209494374 814062364 /nfs/dbraw/zinc/06/23/64/814062364.db2.gz PMECSUSNTLLHEX-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(C)cc12 ZINC001209499563 814065305 /nfs/dbraw/zinc/06/53/05/814065305.db2.gz MVDKSXUHSLXRRX-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(F)ccc12 ZINC001209696523 814114444 /nfs/dbraw/zinc/11/44/44/814114444.db2.gz VPWFMFXQIBVOGT-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210474287 814478068 /nfs/dbraw/zinc/47/80/68/814478068.db2.gz FMLOFXXMUPLFRK-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210474287 814478070 /nfs/dbraw/zinc/47/80/70/814478070.db2.gz FMLOFXXMUPLFRK-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP [NH3+]CC1C[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC001210545392 814517818 /nfs/dbraw/zinc/51/78/18/814517818.db2.gz QFEGTACMACDZIU-UHFFFAOYSA-N 2 1 286.806 3.398 20 0 CGADMP c1cn2cc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)ccc2[nH+]1 ZINC001210705751 814589879 /nfs/dbraw/zinc/58/98/79/814589879.db2.gz QAVTVXZXYRNONS-MRXNPFEDSA-N 2 1 282.391 3.278 20 0 CGADMP [NH3+]Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001218175548 816117626 /nfs/dbraw/zinc/11/76/26/816117626.db2.gz BHSIOEBWFXRJBW-IBGZPJMESA-N 2 1 296.414 3.189 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222148149 816360257 /nfs/dbraw/zinc/36/02/57/816360257.db2.gz LXZWBJFMNHPIMB-GOSISDBHSA-N 2 1 272.436 3.215 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)C(F)(F)F ZINC001222160027 816364252 /nfs/dbraw/zinc/36/42/52/816364252.db2.gz CGHREIISQKYCQK-KBPBESRZSA-N 2 1 292.389 3.431 20 0 CGADMP Cc1cncc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161657 816365188 /nfs/dbraw/zinc/36/51/88/816365188.db2.gz QZNRSMLPPWVQQP-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222161085 816366262 /nfs/dbraw/zinc/36/62/62/816366262.db2.gz KYPSXRLWHLYYAK-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001222231856 816379338 /nfs/dbraw/zinc/37/93/38/816379338.db2.gz QCGMNMFGHMSBAG-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP c1ccc(C2CC2)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222243296 816384291 /nfs/dbraw/zinc/38/42/91/816384291.db2.gz KPJDTSUCQALMTJ-SFHVURJKSA-N 2 1 270.420 3.282 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222243296 816384299 /nfs/dbraw/zinc/38/42/99/816384299.db2.gz KPJDTSUCQALMTJ-SFHVURJKSA-N 2 1 270.420 3.282 20 0 CGADMP c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222253173 816387675 /nfs/dbraw/zinc/38/76/75/816387675.db2.gz NKGOLMUPADMOSY-GOSISDBHSA-N 2 1 270.420 3.282 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222253173 816387684 /nfs/dbraw/zinc/38/76/84/816387684.db2.gz NKGOLMUPADMOSY-GOSISDBHSA-N 2 1 270.420 3.282 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CCCN2 ZINC001222271745 816392416 /nfs/dbraw/zinc/39/24/16/816392416.db2.gz IYUZJXHFVMLOFO-LJQANCHMSA-N 2 1 299.462 3.010 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1F ZINC001222308167 816404061 /nfs/dbraw/zinc/40/40/61/816404061.db2.gz HNYBUEWPLQARMU-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314242 816406100 /nfs/dbraw/zinc/40/61/00/816406100.db2.gz DHFIVEVNDBYMSM-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222465543 816450915 /nfs/dbraw/zinc/45/09/15/816450915.db2.gz TZLBAFXEDMXETB-BHYGNILZSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222465543 816450923 /nfs/dbraw/zinc/45/09/23/816450923.db2.gz TZLBAFXEDMXETB-BHYGNILZSA-N 2 1 290.838 3.271 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222624392 816482464 /nfs/dbraw/zinc/48/24/64/816482464.db2.gz ZEINORPPOBFZCK-DZGCQCFKSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222624392 816482468 /nfs/dbraw/zinc/48/24/68/816482468.db2.gz ZEINORPPOBFZCK-DZGCQCFKSA-N 2 1 278.827 3.141 20 0 CGADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2cccccc1-2 ZINC001222629740 816483980 /nfs/dbraw/zinc/48/39/80/816483980.db2.gz NCZJYUAGUBACAN-CALCHBBNSA-N 2 1 280.415 3.223 20 0 CGADMP CC[N@H+]1CCC[C@@H](O[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224136007 816739423 /nfs/dbraw/zinc/73/94/23/816739423.db2.gz YHJCIZBNNQHSOB-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP CCCC[NH+](CCCC)CCCO[C@H]1CCC[N@@H+](C)C1 ZINC001224756071 816874101 /nfs/dbraw/zinc/87/41/01/816874101.db2.gz UXLXWINLTTVQBK-KRWDZBQOSA-N 2 1 284.488 3.390 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3SC)C[C@@H]2C1 ZINC001231787550 818176820 /nfs/dbraw/zinc/17/68/20/818176820.db2.gz OIIVZIZXXDFEQX-HOTGVXAUSA-N 2 1 290.476 3.182 20 0 CGADMP FC1(F)C[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001232012880 818233918 /nfs/dbraw/zinc/23/39/18/818233918.db2.gz VSKSAWBFMFPBGL-TXEJJXNPSA-N 2 1 277.318 3.040 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232610501 818396432 /nfs/dbraw/zinc/39/64/32/818396432.db2.gz BRAQAKARPBZOLA-CVEARBPZSA-N 2 1 286.444 3.285 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614480 818398963 /nfs/dbraw/zinc/39/89/63/818398963.db2.gz GLOGQLORVPROLU-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614480 818398972 /nfs/dbraw/zinc/39/89/72/818398972.db2.gz GLOGQLORVPROLU-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614480 818398983 /nfs/dbraw/zinc/39/89/83/818398983.db2.gz GLOGQLORVPROLU-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614480 818398987 /nfs/dbraw/zinc/39/89/87/818398987.db2.gz GLOGQLORVPROLU-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2NC)CC1 ZINC001232676298 818416544 /nfs/dbraw/zinc/41/65/44/818416544.db2.gz WWEGEMDHIXNQNP-UHFFFAOYSA-N 2 1 289.467 3.425 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2NC)CC1 ZINC001232676298 818416549 /nfs/dbraw/zinc/41/65/49/818416549.db2.gz WWEGEMDHIXNQNP-UHFFFAOYSA-N 2 1 289.467 3.425 20 0 CGADMP Cc1ncc(F)cc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001232989476 818493424 /nfs/dbraw/zinc/49/34/24/818493424.db2.gz RYXYNDARBMIJRG-UHFFFAOYSA-N 2 1 293.430 3.081 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2nc(Cl)ccc2c1 ZINC001233442524 818619554 /nfs/dbraw/zinc/61/95/54/818619554.db2.gz WPWNODBETZMVQA-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2nc(Cl)ccc2c1 ZINC001233442524 818619558 /nfs/dbraw/zinc/61/95/58/818619558.db2.gz WPWNODBETZMVQA-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)c1 ZINC001234978675 818968478 /nfs/dbraw/zinc/96/84/78/818968478.db2.gz JAAHMRBJGDDRGT-TXEJJXNPSA-N 2 1 290.457 3.128 20 0 CGADMP c1csc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)c1 ZINC001234978675 818968485 /nfs/dbraw/zinc/96/84/85/818968485.db2.gz JAAHMRBJGDDRGT-TXEJJXNPSA-N 2 1 290.457 3.128 20 0 CGADMP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2occc21 ZINC001234997255 818971852 /nfs/dbraw/zinc/97/18/52/818971852.db2.gz AJDVSKLZPIJLQR-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2occc21 ZINC001234997255 818971856 /nfs/dbraw/zinc/97/18/56/818971856.db2.gz AJDVSKLZPIJLQR-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CCC3(C[NH2+]C3)C2)c(C)c1C ZINC001235025138 818981249 /nfs/dbraw/zinc/98/12/49/818981249.db2.gz WQVDZYDCEMKIBU-UHFFFAOYSA-N 2 1 272.436 3.024 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031603 818984382 /nfs/dbraw/zinc/98/43/82/818984382.db2.gz LMEPILWUAOIARR-JKSUJKDBSA-N 2 1 250.430 3.054 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC001235093849 818999322 /nfs/dbraw/zinc/99/93/22/818999322.db2.gz RTKDCGUNEXGDIW-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235143367 819015727 /nfs/dbraw/zinc/01/57/27/819015727.db2.gz COQDYIBLGPMHKW-UHFFFAOYSA-N 2 1 295.430 3.195 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151992 819017822 /nfs/dbraw/zinc/01/78/22/819017822.db2.gz LKYJJHZQDUCDNA-QGZVFWFLSA-N 2 1 264.457 3.421 20 0 CGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151976 819018417 /nfs/dbraw/zinc/01/84/17/819018417.db2.gz KWWQNPPPCZVWAI-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP Cn1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c2ccccc21 ZINC001235175419 819023950 /nfs/dbraw/zinc/02/39/50/819023950.db2.gz VMPGDHSTWCMJQF-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP Cn1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c2ccccc21 ZINC001235175419 819023957 /nfs/dbraw/zinc/02/39/57/819023957.db2.gz VMPGDHSTWCMJQF-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP CCc1cccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235176598 819025517 /nfs/dbraw/zinc/02/55/17/819025517.db2.gz CMFYYYIZSLSZOR-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235176598 819025520 /nfs/dbraw/zinc/02/55/20/819025520.db2.gz CMFYYYIZSLSZOR-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC001235184866 819028286 /nfs/dbraw/zinc/02/82/86/819028286.db2.gz QCIRTQGXVUITSX-SJORKVTESA-N 2 1 298.455 3.456 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193972 819032632 /nfs/dbraw/zinc/03/26/32/819032632.db2.gz TZMKTYJLACZTFE-GVDBMIGSSA-N 2 1 296.499 3.149 20 0 CGADMP c1c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001235224505 819040356 /nfs/dbraw/zinc/04/03/56/819040356.db2.gz NDIMXFFXQBLVFA-GXTWGEPZSA-N 2 1 276.449 3.016 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235270831 819058937 /nfs/dbraw/zinc/05/89/37/819058937.db2.gz NKVJXQQKEZVVLF-ROUUACIJSA-N 2 1 270.420 3.138 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)cc2)c1 ZINC001235341624 819071614 /nfs/dbraw/zinc/07/16/14/819071614.db2.gz RQVQLGMYIQDLTN-MRXNPFEDSA-N 2 1 298.455 3.456 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342462 819072233 /nfs/dbraw/zinc/07/22/33/819072233.db2.gz VYXLZCXOHHVSDM-HNNXBMFYSA-N 2 1 298.455 3.456 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c2ccccc12 ZINC001235342159 819072688 /nfs/dbraw/zinc/07/26/88/819072688.db2.gz UEHAEOJJLXWPPD-HNNXBMFYSA-N 2 1 280.415 3.190 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](C[C@H]2CC=CCC2)C3)cc1 ZINC001235348130 819075543 /nfs/dbraw/zinc/07/55/43/819075543.db2.gz ANLVTOGTFVPATP-DFQSSKMNSA-N 2 1 296.458 3.422 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2[nH]1 ZINC001235421917 819091447 /nfs/dbraw/zinc/09/14/47/819091447.db2.gz CNTDOAJLOUETGB-IAGOWNOFSA-N 2 1 297.446 3.380 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC001235424070 819093066 /nfs/dbraw/zinc/09/30/66/819093066.db2.gz JLFOIJUOOWCULC-HZPDHXFCSA-N 2 1 297.446 3.380 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccccc1-c1ccc(F)cc1F ZINC001235444960 819101185 /nfs/dbraw/zinc/10/11/85/819101185.db2.gz SPLSUMFJMQKLJB-UHFFFAOYSA-N 2 1 290.357 3.412 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccccc2-c2ccncc2)CC1 ZINC001235612240 819126908 /nfs/dbraw/zinc/12/69/08/819126908.db2.gz MYSXZHZYXVZZNA-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712005 819148699 /nfs/dbraw/zinc/14/86/99/819148699.db2.gz XPMWMEMSCCTSDA-UHFFFAOYSA-N 2 1 266.388 3.025 20 0 CGADMP c1ccc(C2(C[N@H+]3CCCC4(C[NH2+]C4)C3)CCCC2)cc1 ZINC001235711459 819148867 /nfs/dbraw/zinc/14/88/67/819148867.db2.gz PLDPLBWCAOXWTN-UHFFFAOYSA-N 2 1 284.447 3.184 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)CCC3CC[NH2+]CC3)ccc2n1 ZINC001235716722 819150605 /nfs/dbraw/zinc/15/06/05/819150605.db2.gz HYVKSVIKISIHRY-UHFFFAOYSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235716720 819150649 /nfs/dbraw/zinc/15/06/49/819150649.db2.gz HVEAFFRZSNAEQE-UHFFFAOYSA-N 2 1 282.378 3.095 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(Cl)cs1 ZINC001235717599 819152458 /nfs/dbraw/zinc/15/24/58/819152458.db2.gz VUPIJSYQMFVQDA-UHFFFAOYSA-N 2 1 272.845 3.223 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2c[nH]c3c2cccc3CC)CC1 ZINC001235724737 819153109 /nfs/dbraw/zinc/15/31/09/819153109.db2.gz CSLDOHJEZJJVIG-UHFFFAOYSA-N 2 1 285.435 3.304 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235724799 819153480 /nfs/dbraw/zinc/15/34/80/819153480.db2.gz JLFBEGFEQZVJLE-YJBOKZPZSA-N 2 1 274.452 3.412 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235724799 819153484 /nfs/dbraw/zinc/15/34/84/819153484.db2.gz JLFBEGFEQZVJLE-YJBOKZPZSA-N 2 1 274.452 3.412 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001235727627 819154436 /nfs/dbraw/zinc/15/44/36/819154436.db2.gz UZPJLTAZRIZWLM-INIZCTEOSA-N 2 1 296.389 3.418 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001235727662 819155451 /nfs/dbraw/zinc/15/54/51/819155451.db2.gz VRIPOFBBTSWUQV-MRXNPFEDSA-N 2 1 284.378 3.274 20 0 CGADMP CC[N@@H+](Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC001235761549 819161124 /nfs/dbraw/zinc/16/11/24/819161124.db2.gz MLFCFPIBVRDUPM-UHFFFAOYSA-N 2 1 268.404 3.414 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC001235808338 819172747 /nfs/dbraw/zinc/17/27/47/819172747.db2.gz BBZHIJSALXTTTA-SFHVURJKSA-N 2 1 298.455 3.435 20 0 CGADMP FC1(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC001235824888 819176582 /nfs/dbraw/zinc/17/65/82/819176582.db2.gz CTXJAXMVKQGGDB-CYBMUJFWSA-N 2 1 296.817 3.221 20 0 CGADMP C[Si](C)(C)C[N@@H+](CCCCC[NH3+])Cc1ccccc1 ZINC001235826564 819176885 /nfs/dbraw/zinc/17/68/85/819176885.db2.gz YUURPLIJTSHXRA-UHFFFAOYSA-N 2 1 278.516 3.495 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC001235842591 819183130 /nfs/dbraw/zinc/18/31/30/819183130.db2.gz PICWZZDDFNYUOA-JKSUJKDBSA-N 2 1 282.431 3.485 20 0 CGADMP Clc1ccc([C@@H]2CC[N@H+](CC3C[NH2+]C3)C2)cc1Cl ZINC001235881039 819194849 /nfs/dbraw/zinc/19/48/49/819194849.db2.gz DCJICCMRVLSBFH-GFCCVEGCSA-N 2 1 285.218 3.002 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+](CC3C[NH2+]C3)C2)cc1Cl ZINC001235881039 819194853 /nfs/dbraw/zinc/19/48/53/819194853.db2.gz DCJICCMRVLSBFH-GFCCVEGCSA-N 2 1 285.218 3.002 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001235892240 819201602 /nfs/dbraw/zinc/20/16/02/819201602.db2.gz NIZRETJIWWZOIO-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001235892240 819201606 /nfs/dbraw/zinc/20/16/06/819201606.db2.gz NIZRETJIWWZOIO-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001235892228 819202332 /nfs/dbraw/zinc/20/23/32/819202332.db2.gz MZHHZKCXDSFHAM-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001235892228 819202337 /nfs/dbraw/zinc/20/23/37/819202337.db2.gz MZHHZKCXDSFHAM-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP [NH3+]CCCC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918916 819220857 /nfs/dbraw/zinc/22/08/57/819220857.db2.gz PIDCJBHCEMPIQW-ZDUSSCGKSA-N 2 1 286.341 3.234 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925065 819223159 /nfs/dbraw/zinc/22/31/59/819223159.db2.gz ICXSGEDAIDZBPW-INIZCTEOSA-N 2 1 260.425 3.297 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925655 819224877 /nfs/dbraw/zinc/22/48/77/819224877.db2.gz NQQXRQPXDZIZQV-INIZCTEOSA-N 2 1 276.424 3.095 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c(Cl)[nH]c2ccccc21 ZINC001235925589 819225270 /nfs/dbraw/zinc/22/52/70/819225270.db2.gz WLIXTSFNYQGWHM-NSHDSACASA-N 2 1 277.799 3.135 20 0 CGADMP COCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001235945171 819235959 /nfs/dbraw/zinc/23/59/59/819235959.db2.gz BJHWMDDNFGMWCF-INIZCTEOSA-N 2 1 294.483 3.069 20 0 CGADMP CC1(C[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]CC1 ZINC001235949447 819240099 /nfs/dbraw/zinc/24/00/99/819240099.db2.gz LAEZMQAOWFRYCT-UHFFFAOYSA-N 2 1 278.827 3.088 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950609 819242018 /nfs/dbraw/zinc/24/20/18/819242018.db2.gz INZBXURJYBTOPS-FRFSOERESA-N 2 1 292.854 3.375 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC001235956791 819244789 /nfs/dbraw/zinc/24/47/89/819244789.db2.gz IIXQHZHYDOTIDN-KRWDZBQOSA-N 2 1 290.451 3.214 20 0 CGADMP CCc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001235957323 819245231 /nfs/dbraw/zinc/24/52/31/819245231.db2.gz MWCHBUJHKFRSDD-CQSZACIVSA-N 2 1 280.843 3.334 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235957670 819245520 /nfs/dbraw/zinc/24/55/20/819245520.db2.gz RJMXQNSEWSUYKS-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235957670 819245523 /nfs/dbraw/zinc/24/55/23/819245523.db2.gz RJMXQNSEWSUYKS-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235959384 819248187 /nfs/dbraw/zinc/24/81/87/819248187.db2.gz PFIWTUZLPQVFDM-AWEZNQCLSA-N 2 1 278.465 3.148 20 0 CGADMP CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1CCCCC[NH3+] ZINC001235961324 819249691 /nfs/dbraw/zinc/24/96/91/819249691.db2.gz FRPCFGGIVDVMIZ-JKSUJKDBSA-N 2 1 270.461 3.379 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC001235961654 819250218 /nfs/dbraw/zinc/25/02/18/819250218.db2.gz CZKOBBPYUHSNQJ-LSDHHAIUSA-N 2 1 276.424 3.220 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC001235961654 819250225 /nfs/dbraw/zinc/25/02/25/819250225.db2.gz CZKOBBPYUHSNQJ-LSDHHAIUSA-N 2 1 276.424 3.220 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])Cc1ccc(F)cc1 ZINC001235962296 819251560 /nfs/dbraw/zinc/25/15/60/819251560.db2.gz LXZAOOZXLFCSES-UHFFFAOYSA-N 2 1 252.377 3.167 20 0 CGADMP CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC12CC([NH3+])(C1)C2 ZINC001235962775 819251673 /nfs/dbraw/zinc/25/16/73/819251673.db2.gz PNYWZYFJTPWDSX-NJINODPHSA-N 2 1 280.456 3.131 20 0 CGADMP CC[N@@H+](CCCCC[NH3+])Cc1ccc(Cl)cc1 ZINC001235962655 819251917 /nfs/dbraw/zinc/25/19/17/819251917.db2.gz OPVACMMQQSLRJO-UHFFFAOYSA-N 2 1 254.805 3.291 20 0 CGADMP Cc1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(F)cc1Cl ZINC001236006176 819270863 /nfs/dbraw/zinc/27/08/63/819270863.db2.gz NSUNPHPPFZGBFW-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP CC[N@H+](Cc1cccc2nc(C)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001236007740 819272553 /nfs/dbraw/zinc/27/25/53/819272553.db2.gz BAZFPJMJRINJIZ-MRXNPFEDSA-N 2 1 283.419 3.117 20 0 CGADMP CC[N@@H+](Cc1cccc2nc(C)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001236007740 819272560 /nfs/dbraw/zinc/27/25/60/819272560.db2.gz BAZFPJMJRINJIZ-MRXNPFEDSA-N 2 1 283.419 3.117 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236071323 819300572 /nfs/dbraw/zinc/30/05/72/819300572.db2.gz JEHNUDOFLOZZDY-HNNXBMFYSA-N 2 1 284.447 3.213 20 0 CGADMP CC1(C[N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]CC1 ZINC001236078446 819304038 /nfs/dbraw/zinc/30/40/38/819304038.db2.gz GOWSFZIIXVYHFN-UHFFFAOYSA-N 2 1 278.827 3.088 20 0 CGADMP C[C@H]1C[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CCC[NH2+]1 ZINC001236095764 819314556 /nfs/dbraw/zinc/31/45/56/819314556.db2.gz YJWSANLUFITGSV-NSHDSACASA-N 2 1 277.799 3.005 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CCC[NH2+]1 ZINC001236095764 819314559 /nfs/dbraw/zinc/31/45/59/819314559.db2.gz YJWSANLUFITGSV-NSHDSACASA-N 2 1 277.799 3.005 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+](C)CCCC[NH3+] ZINC001236141442 819342708 /nfs/dbraw/zinc/34/27/08/819342708.db2.gz GIQNOVLRPKTNRC-UHFFFAOYSA-N 2 1 256.393 3.319 20 0 CGADMP Fc1cccc(F)c1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236190836 819363498 /nfs/dbraw/zinc/36/34/98/819363498.db2.gz YRUNKWXHYGXNSR-XJKSGUPXSA-N 2 1 294.389 3.491 20 0 CGADMP C[N@H+](Cc1ccccc1-c1cccnc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205335 819367521 /nfs/dbraw/zinc/36/75/21/819367521.db2.gz DMECTTHCXITRNJ-IBGZPJMESA-N 2 1 295.430 3.323 20 0 CGADMP C[N@@H+](Cc1ccccc1-c1cccnc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205335 819367523 /nfs/dbraw/zinc/36/75/23/819367523.db2.gz DMECTTHCXITRNJ-IBGZPJMESA-N 2 1 295.430 3.323 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])sc1C ZINC001236212989 819374792 /nfs/dbraw/zinc/37/47/92/819374792.db2.gz AOYUEJTUOCACGN-ZIAGYGMSSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])sc1C ZINC001236212989 819374796 /nfs/dbraw/zinc/37/47/96/819374796.db2.gz AOYUEJTUOCACGN-ZIAGYGMSSA-N 2 1 252.427 3.067 20 0 CGADMP C[N@H+](Cc1ccc(OCC(F)F)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213021 819374804 /nfs/dbraw/zinc/37/48/04/819374804.db2.gz NEPXIDRVGFYDMB-CABCVRRESA-N 2 1 298.377 3.032 20 0 CGADMP C[N@@H+](Cc1ccc(OCC(F)F)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213021 819374812 /nfs/dbraw/zinc/37/48/12/819374812.db2.gz NEPXIDRVGFYDMB-CABCVRRESA-N 2 1 298.377 3.032 20 0 CGADMP CCOc1ccc(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236212879 819374854 /nfs/dbraw/zinc/37/48/54/819374854.db2.gz AFORJJKVIYBXBR-IRXDYDNUSA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236212879 819374863 /nfs/dbraw/zinc/37/48/63/819374863.db2.gz AFORJJKVIYBXBR-IRXDYDNUSA-N 2 1 276.424 3.095 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217889 819384188 /nfs/dbraw/zinc/38/41/88/819384188.db2.gz QPUVKVSDWWMZRG-RBUKOAKNSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217889 819384192 /nfs/dbraw/zinc/38/41/92/819384192.db2.gz QPUVKVSDWWMZRG-RBUKOAKNSA-N 2 1 295.430 3.450 20 0 CGADMP Cc1nc2cc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])ccc2s1 ZINC001236218962 819385840 /nfs/dbraw/zinc/38/58/40/819385840.db2.gz TZHQNPBXFIJNSL-HIFRSBDPSA-N 2 1 289.448 3.306 20 0 CGADMP Cc1nc2cc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])ccc2s1 ZINC001236218962 819385846 /nfs/dbraw/zinc/38/58/46/819385846.db2.gz TZHQNPBXFIJNSL-HIFRSBDPSA-N 2 1 289.448 3.306 20 0 CGADMP COc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c2ccccc12 ZINC001236222355 819389567 /nfs/dbraw/zinc/38/95/67/819389567.db2.gz HWNFFNQDXDESCR-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP CC[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccc(C)c(C)c1 ZINC001236240914 819400209 /nfs/dbraw/zinc/40/02/09/819400209.db2.gz OKNWFMHIWZPOKT-UHFFFAOYSA-N 2 1 297.446 3.230 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1C ZINC001236240664 819400342 /nfs/dbraw/zinc/40/03/42/819400342.db2.gz LPSPJWPOYYWSNY-GOEBONIOSA-N 2 1 296.405 3.226 20 0 CGADMP Cc1ccc(C[N@H+](C)C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1C ZINC001236240664 819400345 /nfs/dbraw/zinc/40/03/45/819400345.db2.gz LPSPJWPOYYWSNY-GOEBONIOSA-N 2 1 296.405 3.226 20 0 CGADMP CC[N@@H+](CCC12CC([NH3+])(C1)C2)Cc1ccc(C)c(C)c1 ZINC001236240222 819400428 /nfs/dbraw/zinc/40/04/28/819400428.db2.gz JZMJCJJNJWHNIC-UHFFFAOYSA-N 2 1 272.436 3.397 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321340 819424857 /nfs/dbraw/zinc/42/48/57/819424857.db2.gz QCPJQGVTZJEFHV-GASCZTMLSA-N 2 1 292.854 3.388 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320854 819424937 /nfs/dbraw/zinc/42/49/37/819424937.db2.gz HCJYELWDKNEGPM-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401577 819451362 /nfs/dbraw/zinc/45/13/62/819451362.db2.gz PGKFJCJFDZUGHV-DZGCQCFKSA-N 2 1 276.399 3.036 20 0 CGADMP CC[N@H+](Cc1cc(C)cc(SC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236410239 819457191 /nfs/dbraw/zinc/45/71/91/819457191.db2.gz GRCXAEPPFSOFDA-CQSZACIVSA-N 2 1 278.465 3.148 20 0 CGADMP CC/C=C\CCCCCC[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413305 819458854 /nfs/dbraw/zinc/45/88/54/819458854.db2.gz NZHOHOVOTDHVJH-NUZCOTBVSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236415560 819460545 /nfs/dbraw/zinc/46/05/45/819460545.db2.gz OOUOCGKFBGWPRQ-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236415560 819460550 /nfs/dbraw/zinc/46/05/50/819460550.db2.gz OOUOCGKFBGWPRQ-WMLDXEAASA-N 2 1 260.425 3.164 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001236415635 819461310 /nfs/dbraw/zinc/46/13/10/819461310.db2.gz OZEQTMRFOJQQJU-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001236415635 819461311 /nfs/dbraw/zinc/46/13/11/819461311.db2.gz OZEQTMRFOJQQJU-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236417051 819462316 /nfs/dbraw/zinc/46/23/16/819462316.db2.gz WPKCVJLTWYHFNB-HZPDHXFCSA-N 2 1 298.471 3.092 20 0 CGADMP CC/C=C\CC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458022 819486070 /nfs/dbraw/zinc/48/60/70/819486070.db2.gz PPFWCHKAKZZWGP-SREVYHEPSA-N 2 1 252.446 3.443 20 0 CGADMP Nc1cc[nH+]cc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001236476144 819494337 /nfs/dbraw/zinc/49/43/37/819494337.db2.gz VJUCUDREOWVQLY-SJORKVTESA-N 2 1 291.398 3.314 20 0 CGADMP Oc1cc(Cl)cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599148 819548212 /nfs/dbraw/zinc/54/82/12/819548212.db2.gz RKFLYHZUMSKCHC-GFCCVEGCSA-N 2 1 294.826 3.010 20 0 CGADMP Oc1cc(Cl)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599148 819548215 /nfs/dbraw/zinc/54/82/15/819548215.db2.gz RKFLYHZUMSKCHC-GFCCVEGCSA-N 2 1 294.826 3.010 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@](C)(C[NH3+])C2)C1(C)C ZINC001236605861 819550310 /nfs/dbraw/zinc/55/03/10/819550310.db2.gz WBPDUBKWKGEKMY-HOCLYGCPSA-N 2 1 250.430 3.040 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC001236604892 819550809 /nfs/dbraw/zinc/55/08/09/819550809.db2.gz JDLKDZJIANUDSL-UHFFFAOYSA-N 2 1 266.388 3.012 20 0 CGADMP Cc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236636851 819557460 /nfs/dbraw/zinc/55/74/60/819557460.db2.gz KQQFXAUKAOWKEH-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236636851 819557463 /nfs/dbraw/zinc/55/74/63/819557463.db2.gz KQQFXAUKAOWKEH-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714399 819580405 /nfs/dbraw/zinc/58/04/05/819580405.db2.gz OGIQQWJDNSPAQU-QAQDUYKDSA-N 2 1 260.425 3.477 20 0 CGADMP CCC(CC)[N@@H+](C[C@@H]1C[C@@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783328 819593726 /nfs/dbraw/zinc/59/37/26/819593726.db2.gz SNLCKUOFWQBRHT-YXWQFLTLSA-N 2 1 252.446 3.403 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001236820374 819607470 /nfs/dbraw/zinc/60/74/70/819607470.db2.gz RNPUFUKZYLKTPS-BARDWOONSA-N 2 1 252.446 3.118 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCCc3ccccc3)C[C@H]12 ZINC001236822140 819607932 /nfs/dbraw/zinc/60/79/32/819607932.db2.gz YHRGHCYZAPANLA-OKZBNKHCSA-N 2 1 272.436 3.069 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC001236829375 819609905 /nfs/dbraw/zinc/60/99/05/819609905.db2.gz KEUBVXZLORHYQD-CORIIIEPSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1C ZINC001236832686 819612200 /nfs/dbraw/zinc/61/22/00/819612200.db2.gz WUQCDZHXJJXPDX-QXAKKESOSA-N 2 1 286.463 3.398 20 0 CGADMP CCC[N@H+](Cc1ccc2nc(C)ccc2c1)C[C@H]1CC[NH2+]C1 ZINC001236833456 819613911 /nfs/dbraw/zinc/61/39/11/819613911.db2.gz BNOZXKDOEFYACB-KRWDZBQOSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@H+](Cc1c(C)cc(OC)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236836523 819616627 /nfs/dbraw/zinc/61/66/27/819616627.db2.gz WTHGWRPTCSUMJO-INIZCTEOSA-N 2 1 290.451 3.134 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C)c2ccccc12 ZINC001236866202 819626079 /nfs/dbraw/zinc/62/60/79/819626079.db2.gz WFLSBUHKXYDOQO-HNNXBMFYSA-N 2 1 256.393 3.317 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C)c2ccccc12 ZINC001236866202 819626082 /nfs/dbraw/zinc/62/60/82/819626082.db2.gz WFLSBUHKXYDOQO-HNNXBMFYSA-N 2 1 256.393 3.317 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@](C)(C[NH3+])C2)C1(C)C ZINC001237056289 819654195 /nfs/dbraw/zinc/65/41/95/819654195.db2.gz HRDFKISSIQOFOT-WBVHZDCISA-N 2 1 264.457 3.430 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@@](C)(C[NH3+])C3)ccc2c1 ZINC001237060249 819657164 /nfs/dbraw/zinc/65/71/64/819657164.db2.gz YWCIZXUHCZKHEG-IBGZPJMESA-N 2 1 298.430 3.409 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1OC(C)C ZINC001237080196 819662159 /nfs/dbraw/zinc/66/21/59/819662159.db2.gz DUHJJWCLONNNDE-GOSISDBHSA-N 2 1 290.451 3.343 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1OC(C)C ZINC001237080196 819662164 /nfs/dbraw/zinc/66/21/64/819662164.db2.gz DUHJJWCLONNNDE-GOSISDBHSA-N 2 1 290.451 3.343 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC001237102711 819667255 /nfs/dbraw/zinc/66/72/55/819667255.db2.gz LVMUOOXUOBSRQB-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC001237102711 819667258 /nfs/dbraw/zinc/66/72/58/819667258.db2.gz LVMUOOXUOBSRQB-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(N)c1 ZINC001237221987 819702764 /nfs/dbraw/zinc/70/27/64/819702764.db2.gz AYPVNLGMYTWZSH-ROUUACIJSA-N 2 1 287.451 3.108 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC001237221987 819702768 /nfs/dbraw/zinc/70/27/68/819702768.db2.gz AYPVNLGMYTWZSH-ROUUACIJSA-N 2 1 287.451 3.108 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC001237221987 819702770 /nfs/dbraw/zinc/70/27/70/819702770.db2.gz AYPVNLGMYTWZSH-ROUUACIJSA-N 2 1 287.451 3.108 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001237258821 819709927 /nfs/dbraw/zinc/70/99/27/819709927.db2.gz OSKCRHPGULCWQT-UHOFOFEASA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001237258821 819709933 /nfs/dbraw/zinc/70/99/33/819709933.db2.gz OSKCRHPGULCWQT-UHOFOFEASA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001237258821 819709940 /nfs/dbraw/zinc/70/99/40/819709940.db2.gz OSKCRHPGULCWQT-UHOFOFEASA-N 2 1 294.389 3.097 20 0 CGADMP c1ccc2c(c1)C[N@H+](C[C@@H]1CC=CCC1)C21CC[NH2+]CC1 ZINC001237301206 819720812 /nfs/dbraw/zinc/72/08/12/819720812.db2.gz UHOWUYONSFRXNE-MRXNPFEDSA-N 2 1 282.431 3.437 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237391689 819742191 /nfs/dbraw/zinc/74/21/91/819742191.db2.gz LPXZJQSPIPXZCD-GDBMZVCRSA-N 2 1 286.444 3.475 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)c1 ZINC001237407554 819745228 /nfs/dbraw/zinc/74/52/28/819745228.db2.gz YAJOPDJIXCXVDO-MJGOQNOKSA-N 2 1 295.430 3.051 20 0 CGADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2cccccc1-2 ZINC001237414997 819746607 /nfs/dbraw/zinc/74/66/07/819746607.db2.gz OJHQYGBKLAXQOD-IEBWSBKVSA-N 2 1 280.415 3.365 20 0 CGADMP CC[N@@H+]1C[C@H]2CN(Cc3cc(C)cc(C)c3Cl)C[C@H]2C1 ZINC001237703687 819812378 /nfs/dbraw/zinc/81/23/78/819812378.db2.gz AFMTZVQVJJBVCP-IYBDPMFKSA-N 2 1 292.854 3.340 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@]34CCOC4)cc21 ZINC001237888744 819873740 /nfs/dbraw/zinc/87/37/40/819873740.db2.gz DIKDCIYCRUYULW-LJQANCHMSA-N 2 1 298.430 3.053 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@]34CCOC4)cc21 ZINC001237888744 819873749 /nfs/dbraw/zinc/87/37/49/819873749.db2.gz DIKDCIYCRUYULW-LJQANCHMSA-N 2 1 298.430 3.053 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)C2CCN(C)CC2)c1 ZINC001238676469 820081834 /nfs/dbraw/zinc/08/18/34/820081834.db2.gz XODCXWNKFMNQQC-UHFFFAOYSA-N 2 1 278.465 3.243 20 0 CGADMP Cc1cc(N2CCCCC2)[nH+]cc1C=C1CC[NH2+]CC1 ZINC001240878756 821387237 /nfs/dbraw/zinc/38/72/37/821387237.db2.gz WWRCSUKCGPJUAM-UHFFFAOYSA-N 2 1 271.408 3.147 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(c1)CC[N@@H+](C)C2 ZINC001241248939 821669634 /nfs/dbraw/zinc/66/96/34/821669634.db2.gz ZZWZSHZCSJKCSV-UHFFFAOYSA-N 2 1 281.403 3.111 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(c1)CC[N@H+](C)C2 ZINC001241248939 821669640 /nfs/dbraw/zinc/66/96/40/821669640.db2.gz ZZWZSHZCSJKCSV-UHFFFAOYSA-N 2 1 281.403 3.111 20 0 CGADMP COc1ccc(C2=CC[N@@H+](C)CC2)cc1C[NH+]1CCCC1 ZINC001241333685 821740484 /nfs/dbraw/zinc/74/04/84/821740484.db2.gz WNIJOJNFTZWZAT-UHFFFAOYSA-N 2 1 286.419 3.010 20 0 CGADMP CC[NH+](CC)Cc1cc(C2=CCC[N@@H+](C)C2)ccc1OC ZINC001241572090 821959709 /nfs/dbraw/zinc/95/97/09/821959709.db2.gz PNPSOWCWZQVAFK-UHFFFAOYSA-N 2 1 288.435 3.256 20 0 CGADMP C[C@@H]([NH3+])c1cccc(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001241995571 822264826 /nfs/dbraw/zinc/26/48/26/822264826.db2.gz QHNAXAMYLHRQBS-OAHLLOKOSA-N 2 1 296.414 3.206 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC001339276581 936364043 /nfs/dbraw/zinc/36/40/43/936364043.db2.gz PJOJGNZVHOSKSY-YJBOKZPZSA-N 2 1 287.451 3.255 20 0 CGADMP CC1(C)C[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001339934631 936391514 /nfs/dbraw/zinc/39/15/14/936391514.db2.gz VHSJJNDAJBAEOA-DOTOQJQBSA-N 2 1 272.436 3.254 20 0 CGADMP COc1ccc(C[C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC001341476382 936439589 /nfs/dbraw/zinc/43/95/89/936439589.db2.gz RJEBSORIMSSDSY-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccc(C[C@@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001341476382 936439591 /nfs/dbraw/zinc/43/95/91/936439591.db2.gz RJEBSORIMSSDSY-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccc(C[C@@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001341476382 936439592 /nfs/dbraw/zinc/43/95/92/936439592.db2.gz RJEBSORIMSSDSY-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC001343334399 936495110 /nfs/dbraw/zinc/49/51/10/936495110.db2.gz SFBBNWAOHPLHFC-WCXIOVBPSA-N 2 1 262.441 3.005 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc1F ZINC001343335129 936495528 /nfs/dbraw/zinc/49/55/28/936495528.db2.gz VXULGQVFNWAPRZ-BBWFWOEESA-N 2 1 290.426 3.296 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000379561095 928090423 /nfs/dbraw/zinc/09/04/23/928090423.db2.gz AMPYMCPGNSHPAG-UHFFFAOYSA-N 2 1 271.408 3.056 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC001460638073 937537652 /nfs/dbraw/zinc/53/76/52/937537652.db2.gz YSKCNHOGYVVRTL-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC(C)(C)[C@@H]1CSCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001460690160 937540376 /nfs/dbraw/zinc/54/03/76/937540376.db2.gz HCDGVEFCBLBCQR-HNNXBMFYSA-N 2 1 284.513 3.326 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C)C(C)C ZINC001461143470 937566401 /nfs/dbraw/zinc/56/64/01/937566401.db2.gz NPRNUMIBHQVQPA-CVEARBPZSA-N 2 1 252.446 3.299 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C)C(C)C ZINC001461143470 937566404 /nfs/dbraw/zinc/56/64/04/937566404.db2.gz NPRNUMIBHQVQPA-CVEARBPZSA-N 2 1 252.446 3.299 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)CC1CCCCC1 ZINC001461176078 937568186 /nfs/dbraw/zinc/56/81/86/937568186.db2.gz BFKAXNPUNUXYST-SZMVWBNQSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)CC1CCCCC1 ZINC001461176078 937568187 /nfs/dbraw/zinc/56/81/87/937568187.db2.gz BFKAXNPUNUXYST-SZMVWBNQSA-N 2 1 294.483 3.046 20 0 CGADMP CCNc1ccccc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001461616951 937588680 /nfs/dbraw/zinc/58/86/80/937588680.db2.gz HNWWESOZLRQYHB-UHFFFAOYSA-N 2 1 277.456 3.186 20 0 CGADMP CCNc1ccccc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001461616951 937588683 /nfs/dbraw/zinc/58/86/83/937588683.db2.gz HNWWESOZLRQYHB-UHFFFAOYSA-N 2 1 277.456 3.186 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C(C)C)CC2)[C@H](C)C1 ZINC001461872160 937603236 /nfs/dbraw/zinc/60/32/36/937603236.db2.gz UBUPFDSTUVGITR-CABCVRRESA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C(C)C)CC2)[C@H](C)C1 ZINC001461872160 937603237 /nfs/dbraw/zinc/60/32/37/937603237.db2.gz UBUPFDSTUVGITR-CABCVRRESA-N 2 1 252.446 3.085 20 0 CGADMP C[N@H+](Cc1ccc2c(c1)CCCC2)C[C@@H]1CCC[NH+](C)C1 ZINC001461887469 937603757 /nfs/dbraw/zinc/60/37/57/937603757.db2.gz JHWHNZAVCFXGAN-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP C[NH+](Cc1ccc2c(c1)CCCC2)C[C@@H]1CCC[N@H+](C)C1 ZINC001461887469 937603758 /nfs/dbraw/zinc/60/37/58/937603758.db2.gz JHWHNZAVCFXGAN-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP C[NH+](Cc1ccc2c(c1)CCCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC001461887469 937603760 /nfs/dbraw/zinc/60/37/60/937603760.db2.gz JHWHNZAVCFXGAN-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001462202371 937624998 /nfs/dbraw/zinc/62/49/98/937624998.db2.gz NEBXJKRYJPXINY-MOPGFXCFSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001462202371 937625000 /nfs/dbraw/zinc/62/50/00/937625000.db2.gz NEBXJKRYJPXINY-MOPGFXCFSA-N 2 1 286.463 3.262 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001462302721 937631264 /nfs/dbraw/zinc/63/12/64/937631264.db2.gz AWDPIPHFFSTZJV-ARFHVFGLSA-N 2 1 284.488 3.289 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001462302721 937631266 /nfs/dbraw/zinc/63/12/66/937631266.db2.gz AWDPIPHFFSTZJV-ARFHVFGLSA-N 2 1 284.488 3.289 20 0 CGADMP COC1(C[NH2+]CCC[N@@H+](C)CC(C)C)CCCCCC1 ZINC001462406267 937638812 /nfs/dbraw/zinc/63/88/12/937638812.db2.gz TVSFUVGQULWHPF-UHFFFAOYSA-N 2 1 284.488 3.293 20 0 CGADMP CC[C@H](C)[C@@H](C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)OC ZINC001462522382 937647234 /nfs/dbraw/zinc/64/72/34/937647234.db2.gz DJCDUEAXRUYGFM-FUHWJXTLSA-N 2 1 298.515 3.347 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001308015233 933034463 /nfs/dbraw/zinc/03/44/63/933034463.db2.gz BQYITVSIPYCRIF-CYBMUJFWSA-N 2 1 273.424 3.238 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001308015233 933034466 /nfs/dbraw/zinc/03/44/66/933034466.db2.gz BQYITVSIPYCRIF-CYBMUJFWSA-N 2 1 273.424 3.238 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041432 933038838 /nfs/dbraw/zinc/03/88/38/933038838.db2.gz TWAUTVYJXWSBHV-OAHLLOKOSA-N 2 1 299.393 3.240 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC001308254400 933081581 /nfs/dbraw/zinc/08/15/81/933081581.db2.gz MWVRFNKESGEEAK-INIZCTEOSA-N 2 1 286.463 3.385 20 0 CGADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001462651640 937656755 /nfs/dbraw/zinc/65/67/55/937656755.db2.gz ASCSISJGYLYLDQ-IPMKNSEASA-N 2 1 286.463 3.411 20 0 CGADMP C1=CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001308470192 933116358 /nfs/dbraw/zinc/11/63/58/933116358.db2.gz BFWJXHZNLNRAEQ-HZPDHXFCSA-N 2 1 262.441 3.339 20 0 CGADMP C1=CC[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001308470192 933116362 /nfs/dbraw/zinc/11/63/62/933116362.db2.gz BFWJXHZNLNRAEQ-HZPDHXFCSA-N 2 1 262.441 3.339 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC001308553198 933130325 /nfs/dbraw/zinc/13/03/25/933130325.db2.gz IOXDZUFHGSYPHV-GUTXKFCHSA-N 2 1 298.352 3.135 20 0 CGADMP CC(C)CCCC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC001308748321 933170035 /nfs/dbraw/zinc/17/00/35/933170035.db2.gz RDCPCHZERPQIIU-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001308748321 933170039 /nfs/dbraw/zinc/17/00/39/933170039.db2.gz RDCPCHZERPQIIU-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCCC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001308748321 933170044 /nfs/dbraw/zinc/17/00/44/933170044.db2.gz RDCPCHZERPQIIU-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC001308980699 933220445 /nfs/dbraw/zinc/22/04/45/933220445.db2.gz BKZZGYAJTRTFPX-NXHRZFHOSA-N 2 1 290.451 3.227 20 0 CGADMP CC(C)C[N@@H+](CC1CC=CC1)CC1CC[NH+](C)CC1 ZINC001473739172 937820097 /nfs/dbraw/zinc/82/00/97/937820097.db2.gz KTNNXLRENHCHPI-UHFFFAOYSA-N 2 1 264.457 3.252 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001319281501 933851621 /nfs/dbraw/zinc/85/16/21/933851621.db2.gz ANAVBUIGKSBNMH-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC001319755091 933927137 /nfs/dbraw/zinc/92/71/37/933927137.db2.gz NAXWPTOQPKPBSA-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C12CCCC2 ZINC001319830916 933940122 /nfs/dbraw/zinc/94/01/22/933940122.db2.gz DQGOCSFDYGNRHV-LUKYLMHMSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H](C[NH2+]CCc1ccc(F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC001319912353 933957101 /nfs/dbraw/zinc/95/71/01/933957101.db2.gz DRHLIOCXMZQOOR-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@H](C[NH2+]CCc1ccc(F)cc1)[N@H+]1CCC[C@H](C)C1 ZINC001319912353 933957104 /nfs/dbraw/zinc/95/71/04/933957104.db2.gz DRHLIOCXMZQOOR-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(F)cc2)C1 ZINC001319919550 933958572 /nfs/dbraw/zinc/95/85/72/933958572.db2.gz XXKPBTALMGIAEH-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC001319919550 933958575 /nfs/dbraw/zinc/95/85/75/933958575.db2.gz XXKPBTALMGIAEH-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001319919550 933958578 /nfs/dbraw/zinc/95/85/78/933958578.db2.gz XXKPBTALMGIAEH-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC001322634790 934321977 /nfs/dbraw/zinc/32/19/77/934321977.db2.gz ZAEJQECDKCSPJV-RDJZCZTQSA-N 2 1 288.435 3.222 20 0 CGADMP CC(C)c1nc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cs1 ZINC001324757696 934563145 /nfs/dbraw/zinc/56/31/45/934563145.db2.gz NCGIRYHBCZFQBI-CYBMUJFWSA-N 2 1 281.469 3.088 20 0 CGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473133663 937793923 /nfs/dbraw/zinc/79/39/23/937793923.db2.gz ZPHIIDUEIUNPIQ-RDJZCZTQSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001473426358 937806748 /nfs/dbraw/zinc/80/67/48/937806748.db2.gz ZEDUJRZNXASCOK-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC001325724384 934925184 /nfs/dbraw/zinc/92/51/84/934925184.db2.gz WXWGZBOBVBVUMY-NHYWBVRUSA-N 2 1 270.367 3.250 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC001326037351 934946166 /nfs/dbraw/zinc/94/61/66/934946166.db2.gz WOZFLXSYXWEXEK-WCQYABFASA-N 2 1 260.381 3.390 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC001326037348 934946219 /nfs/dbraw/zinc/94/62/19/934946219.db2.gz WOZFLXSYXWEXEK-DGCLKSJQSA-N 2 1 260.381 3.390 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1Nc1cc[nH+]c2ccsc21 ZINC001327643623 935075288 /nfs/dbraw/zinc/07/52/88/935075288.db2.gz UYJJENNYJRBNHJ-RISCZKNCSA-N 2 1 275.421 3.003 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001333843528 936070450 /nfs/dbraw/zinc/07/04/50/936070450.db2.gz XKCOQEOFUAPSRD-RRFJBIMHSA-N 2 1 276.424 3.004 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2C1 ZINC001335150092 936132208 /nfs/dbraw/zinc/13/22/08/936132208.db2.gz PKKXQCMYDIPVLQ-FGTMMUONSA-N 2 1 297.446 3.330 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc43)C[C@H]2C1 ZINC001335583848 936153714 /nfs/dbraw/zinc/15/37/14/936153714.db2.gz SBZVXERFEFZRAW-FCGDIQPGSA-N 2 1 298.474 3.379 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001337728285 936284287 /nfs/dbraw/zinc/28/42/87/936284287.db2.gz RLPKMMMYJOULJY-WOPDTQHZSA-N 2 1 266.351 3.180 20 0 CGADMP CCc1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001473902276 937828910 /nfs/dbraw/zinc/82/89/10/937828910.db2.gz RWLOAQPYRCZDSK-UHFFFAOYSA-N 2 1 286.463 3.483 20 0 CGADMP CCc1ccc2c(c1)CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001473902276 937828911 /nfs/dbraw/zinc/82/89/11/937828911.db2.gz RWLOAQPYRCZDSK-UHFFFAOYSA-N 2 1 286.463 3.483 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC001473936788 937831362 /nfs/dbraw/zinc/83/13/62/937831362.db2.gz FNFCOVIEOBGVLL-YRLOJYSSSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC001473936788 937831363 /nfs/dbraw/zinc/83/13/63/937831363.db2.gz FNFCOVIEOBGVLL-YRLOJYSSSA-N 2 1 292.373 3.194 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1CCCC1 ZINC001474509828 937863662 /nfs/dbraw/zinc/86/36/62/937863662.db2.gz XZECTVJSKFFUJY-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1CCCC1 ZINC001474509828 937863663 /nfs/dbraw/zinc/86/36/63/937863663.db2.gz XZECTVJSKFFUJY-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC001474612057 937870148 /nfs/dbraw/zinc/87/01/48/937870148.db2.gz AYODXLQBYFTBOB-SFHVURJKSA-N 2 1 274.452 3.111 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(CC4CCC4)c3)C[C@]2(C)C1 ZINC001474729218 937877535 /nfs/dbraw/zinc/87/75/35/937877535.db2.gz CIKYITFPTNNQGG-UXHICEINSA-N 2 1 298.474 3.413 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(CC4CCC4)c3)C[C@]2(C)C1 ZINC001474729218 937877537 /nfs/dbraw/zinc/87/75/37/937877537.db2.gz CIKYITFPTNNQGG-UXHICEINSA-N 2 1 298.474 3.413 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(CC4CCC4)c3)C[C@]2(C)C1 ZINC001474729218 937877538 /nfs/dbraw/zinc/87/75/38/937877538.db2.gz CIKYITFPTNNQGG-UXHICEINSA-N 2 1 298.474 3.413 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(CC4CCC4)c3)C[C@]2(C)C1 ZINC001474729218 937877540 /nfs/dbraw/zinc/87/75/40/937877540.db2.gz CIKYITFPTNNQGG-UXHICEINSA-N 2 1 298.474 3.413 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC001548919758 938154170 /nfs/dbraw/zinc/15/41/70/938154170.db2.gz SRGFUSYECKQUQO-RDGPPVDQSA-N 2 1 284.447 3.254 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[C@@H]([NH3+])C2)cc1F ZINC001550349937 938166209 /nfs/dbraw/zinc/16/62/09/938166209.db2.gz AWJXGMHHVHSEFH-BJJXKVORSA-N 2 1 292.398 3.099 20 0 CGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CC[C@H]([NH3+])C1 ZINC001550911325 938172550 /nfs/dbraw/zinc/17/25/50/938172550.db2.gz APFFFERWQYUJDK-FZCLSBEQSA-N 2 1 272.436 3.382 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043958 938242496 /nfs/dbraw/zinc/24/24/96/938242496.db2.gz PHYYPHKDVULEDL-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043958 938242497 /nfs/dbraw/zinc/24/24/97/938242497.db2.gz PHYYPHKDVULEDL-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001560043958 938242498 /nfs/dbraw/zinc/24/24/98/938242498.db2.gz PHYYPHKDVULEDL-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001560043958 938242499 /nfs/dbraw/zinc/24/24/99/938242499.db2.gz PHYYPHKDVULEDL-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055715 938242730 /nfs/dbraw/zinc/24/27/30/938242730.db2.gz KQYNXTNTURYMGQ-CFVMTHIKSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001560055715 938242731 /nfs/dbraw/zinc/24/27/31/938242731.db2.gz KQYNXTNTURYMGQ-CFVMTHIKSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001560055715 938242732 /nfs/dbraw/zinc/24/27/32/938242732.db2.gz KQYNXTNTURYMGQ-CFVMTHIKSA-N 2 1 278.827 3.285 20 0 CGADMP CC(C)(C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001560247624 938247433 /nfs/dbraw/zinc/24/74/33/938247433.db2.gz OOYJWKVBMFLLMC-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814086 938277744 /nfs/dbraw/zinc/27/77/44/938277744.db2.gz OXFAAXIKYQHVBB-HKUYNNGSSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814086 938277745 /nfs/dbraw/zinc/27/77/45/938277745.db2.gz OXFAAXIKYQHVBB-HKUYNNGSSA-N 2 1 284.447 3.091 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)C1CCC1 ZINC001560844849 938279259 /nfs/dbraw/zinc/27/92/59/938279259.db2.gz CDHRBLODGUCKIE-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC001575423842 960465531 /nfs/dbraw/zinc/46/55/31/960465531.db2.gz YZWMRYPOVHIBMK-HOTGVXAUSA-N 2 1 278.465 3.007 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC001575423844 960471661 /nfs/dbraw/zinc/47/16/61/960471661.db2.gz YZWMRYPOVHIBMK-JKSUJKDBSA-N 2 1 278.465 3.007 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC001576158732 960481210 /nfs/dbraw/zinc/48/12/10/960481210.db2.gz IOYPCUSDQZFHFI-NOZJJQNGSA-N 2 1 297.240 3.009 20 0 CGADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1F ZINC001460798906 960499382 /nfs/dbraw/zinc/49/93/82/960499382.db2.gz BGAVZTYXUYAVQP-HNNXBMFYSA-N 2 1 299.393 3.240 20 0 CGADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1F ZINC001460798906 960499399 /nfs/dbraw/zinc/49/93/99/960499399.db2.gz BGAVZTYXUYAVQP-HNNXBMFYSA-N 2 1 299.393 3.240 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)C12CCC2 ZINC001575248004 962349992 /nfs/dbraw/zinc/34/99/92/962349992.db2.gz SKMQGUJAENEINA-ARFHVFGLSA-N 2 1 294.483 3.235 20 0 CGADMP CC(C)(C)[NH2+]CC[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC001575150216 962353390 /nfs/dbraw/zinc/35/33/90/962353390.db2.gz PTCCQVBTMJISAX-INIZCTEOSA-N 2 1 260.425 3.158 20 0 CGADMP CC(C)[C@H](C)[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC001575418586 962382048 /nfs/dbraw/zinc/38/20/48/962382048.db2.gz VIOLWNWARIKTSR-AWEZNQCLSA-N 2 1 272.436 3.341 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C2C[NH2+]C2)no1 ZINC001575475707 962382470 /nfs/dbraw/zinc/38/24/70/962382470.db2.gz SOVORIPQPXYTAE-SFHVURJKSA-N 2 1 299.418 3.191 20 0 CGADMP CC(C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC001575593120 962403358 /nfs/dbraw/zinc/40/33/58/962403358.db2.gz GWEMTDAYJQCVNW-HNNXBMFYSA-N 2 1 278.415 3.283 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@H+]1CCCC(C)(C)C1 ZINC001575933737 962414499 /nfs/dbraw/zinc/41/44/99/962414499.db2.gz JVRWGRYNXQAITJ-IAGOWNOFSA-N 2 1 295.515 3.009 20 0 CGADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1F ZINC001575941252 962420400 /nfs/dbraw/zinc/42/04/00/962420400.db2.gz MSPCNKXGWFYJTF-GWCFXTLKSA-N 2 1 270.779 3.099 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)[C@H]2CCC[NH2+][C@H]21 ZINC001576383999 962457111 /nfs/dbraw/zinc/45/71/11/962457111.db2.gz NIOIKHPMTFPRKC-RKTXRCNFSA-N 2 1 288.410 3.179 20 0 CGADMP C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001576584047 962473824 /nfs/dbraw/zinc/47/38/24/962473824.db2.gz SRTBVCOSQRHDEF-FZMZJTMJSA-N 2 1 286.341 3.308 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576623917 962475667 /nfs/dbraw/zinc/47/56/67/962475667.db2.gz MRLJMFFLEQJVRJ-YONAWACDSA-N 2 1 272.436 3.108 20 0 CGADMP C[C@H]1CCC[N@@H+](CCc2ccccc2Cl)[C@H]1CC[NH3+] ZINC001576708414 962486556 /nfs/dbraw/zinc/48/65/56/962486556.db2.gz DBCXOTZNQRXVHA-BBRMVZONSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@H]2CCCC[C@H]12 ZINC001576800057 962492873 /nfs/dbraw/zinc/49/28/73/962492873.db2.gz GCGSSUACJJVDRH-OIISXLGYSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001577254466 962516673 /nfs/dbraw/zinc/51/66/73/962516673.db2.gz LIUPQDQHFMPLCW-JSGCOSHPSA-N 2 1 293.480 3.189 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C(C)(C)[NH3+])no1 ZINC001577254558 962518464 /nfs/dbraw/zinc/51/84/64/962518464.db2.gz LVKLDSXJFNGGMJ-TZMCWYRMSA-N 2 1 279.428 3.269 20 0 CGADMP CCCCOc1ccccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001577473046 962541262 /nfs/dbraw/zinc/54/12/62/962541262.db2.gz FCIAVSUMAAXKBP-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC001577590928 962551918 /nfs/dbraw/zinc/55/19/18/962551918.db2.gz YONVAJWEVZYLCT-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC001577590928 962551931 /nfs/dbraw/zinc/55/19/31/962551931.db2.gz YONVAJWEVZYLCT-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP CC[N@@H+](CCC1([NH3+])CCOCC1)Cc1cccc(Cl)c1 ZINC001577710903 962569298 /nfs/dbraw/zinc/56/92/98/962569298.db2.gz HTDZLJMBNVNPHB-UHFFFAOYSA-N 2 1 296.842 3.060 20 0 CGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)CCO2 ZINC001578265919 962580221 /nfs/dbraw/zinc/58/02/21/962580221.db2.gz QNCBZSNGJLVQHU-JLJPHGGASA-N 2 1 288.435 3.193 20 0 CGADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC001578707445 962597307 /nfs/dbraw/zinc/59/73/07/962597307.db2.gz AYKRXRZMRVQZOH-UHFFFAOYSA-N 2 1 290.451 3.012 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001579383278 962616728 /nfs/dbraw/zinc/61/67/28/962616728.db2.gz XMLSSNQHQZWPPZ-AWEZNQCLSA-N 2 1 266.454 3.013 20 0 CGADMP CSCC[C@@H](C)[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC001579370868 962622447 /nfs/dbraw/zinc/62/24/47/962622447.db2.gz SXCYPONJDTWZNM-CHWSQXEVSA-N 2 1 260.491 3.213 20 0 CGADMP CSCC[C@@H](C)[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC001579370868 962622456 /nfs/dbraw/zinc/62/24/56/962622456.db2.gz SXCYPONJDTWZNM-CHWSQXEVSA-N 2 1 260.491 3.213 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC001580288747 962708101 /nfs/dbraw/zinc/70/81/01/962708101.db2.gz WMYXNJYXTKDLKG-CQSZACIVSA-N 2 1 286.375 3.243 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC001580342951 962716058 /nfs/dbraw/zinc/71/60/58/962716058.db2.gz QFWFRVVTFSSXRR-GOSISDBHSA-N 2 1 282.387 3.188 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000651599746 398257564 /nfs/dbraw/zinc/25/75/64/398257564.db2.gz CMOQKSZQSVYOLP-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000621784331 349586290 /nfs/dbraw/zinc/58/62/90/349586290.db2.gz NJFVVOWQAXCKAS-XYPHTWIQSA-N 2 1 274.383 3.016 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000651706241 398272405 /nfs/dbraw/zinc/27/24/05/398272405.db2.gz XYWBWFFDKBFPIA-HOTGVXAUSA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000337770509 214254266 /nfs/dbraw/zinc/25/42/66/214254266.db2.gz VDPHYTVDVRNDFV-SFHVURJKSA-N 2 1 290.451 3.282 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC000651785945 398287430 /nfs/dbraw/zinc/28/74/30/398287430.db2.gz ADZHKFUXWSLMIJ-KRWDZBQOSA-N 2 1 272.436 3.091 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000651786448 398287991 /nfs/dbraw/zinc/28/79/91/398287991.db2.gz YQGCGUFGBSLMIX-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000651786448 398287992 /nfs/dbraw/zinc/28/79/92/398287992.db2.gz YQGCGUFGBSLMIX-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000651811584 398290785 /nfs/dbraw/zinc/29/07/85/398290785.db2.gz TZKUWHFDACEENS-PBHICJAKSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000651811584 398290786 /nfs/dbraw/zinc/29/07/86/398290786.db2.gz TZKUWHFDACEENS-PBHICJAKSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000651811584 398290788 /nfs/dbraw/zinc/29/07/88/398290788.db2.gz TZKUWHFDACEENS-PBHICJAKSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000651811584 398290789 /nfs/dbraw/zinc/29/07/89/398290789.db2.gz TZKUWHFDACEENS-PBHICJAKSA-N 2 1 260.425 3.021 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000337944348 214323798 /nfs/dbraw/zinc/32/37/98/214323798.db2.gz BEFJFBDACUBSDZ-MRXNPFEDSA-N 2 1 285.435 3.440 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)C1CCOCC1)C1CCCCC1 ZINC000651909972 398304626 /nfs/dbraw/zinc/30/46/26/398304626.db2.gz BYBSJNMZDJEUGQ-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@@H+](CCC[NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC000651909958 398305037 /nfs/dbraw/zinc/30/50/37/398305037.db2.gz BMLPFTCDLNJOMD-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000338016187 214363072 /nfs/dbraw/zinc/36/30/72/214363072.db2.gz JCUNTCYQCCKDML-JKSUJKDBSA-N 2 1 261.413 3.140 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2sccc2[C@H]1C ZINC000336803253 282205288 /nfs/dbraw/zinc/20/52/88/282205288.db2.gz XQLITQNJFXTVOM-GFCCVEGCSA-N 2 1 275.421 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2sccc2[C@H]1C ZINC000336803253 282205292 /nfs/dbraw/zinc/20/52/92/282205292.db2.gz XQLITQNJFXTVOM-GFCCVEGCSA-N 2 1 275.421 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000270679203 282205454 /nfs/dbraw/zinc/20/54/54/282205454.db2.gz UGJNWQUASDOUSE-UHFFFAOYSA-N 2 1 283.419 3.375 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000270679203 282205457 /nfs/dbraw/zinc/20/54/57/282205457.db2.gz UGJNWQUASDOUSE-UHFFFAOYSA-N 2 1 283.419 3.375 20 0 CGADMP C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337595 349781707 /nfs/dbraw/zinc/78/17/07/349781707.db2.gz PYBDXQAOWJRMCG-YPMHNXCESA-N 2 1 282.378 3.488 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccccc1Br ZINC000423277580 529617616 /nfs/dbraw/zinc/61/76/16/529617616.db2.gz PZPPYVJSGLCEBB-RISCZKNCSA-N 2 1 299.256 3.345 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(C)ccc1OC ZINC000425951461 529617637 /nfs/dbraw/zinc/61/76/37/529617637.db2.gz MTKATLOUBZLNCP-HOCLYGCPSA-N 2 1 278.440 3.242 20 0 CGADMP Cc1cccc(OC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623372258 349792695 /nfs/dbraw/zinc/79/26/95/349792695.db2.gz MCGMIISPTKKMJI-HOTGVXAUSA-N 2 1 290.451 3.225 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623374358 349793609 /nfs/dbraw/zinc/79/36/09/349793609.db2.gz BHKZVCSXQNOILV-AWEZNQCLSA-N 2 1 278.465 3.371 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623374358 349793612 /nfs/dbraw/zinc/79/36/12/349793612.db2.gz BHKZVCSXQNOILV-AWEZNQCLSA-N 2 1 278.465 3.371 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371644 349792433 /nfs/dbraw/zinc/79/24/33/349792433.db2.gz LYYSXIOSWOPBGQ-TZMCWYRMSA-N 2 1 266.454 3.142 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)CC1(C)C ZINC000623381966 349795100 /nfs/dbraw/zinc/79/51/00/349795100.db2.gz QKTFDHNKHGWESU-HOCLYGCPSA-N 2 1 276.399 3.275 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC1=CCCCC1 ZINC000450593641 282224000 /nfs/dbraw/zinc/22/40/00/282224000.db2.gz BPKHCJKAQJSNMD-FGTMMUONSA-N 2 1 292.467 3.060 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)CC1(C)C ZINC000623419818 349803528 /nfs/dbraw/zinc/80/35/28/349803528.db2.gz YZVRBQGTIANERJ-ZDUSSCGKSA-N 2 1 280.481 3.488 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623445437 349811582 /nfs/dbraw/zinc/81/15/82/349811582.db2.gz RBIRUUOCUUCBIL-MRXNPFEDSA-N 2 1 290.451 3.356 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623445437 349811583 /nfs/dbraw/zinc/81/15/83/349811583.db2.gz RBIRUUOCUUCBIL-MRXNPFEDSA-N 2 1 290.451 3.356 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414185515 529729048 /nfs/dbraw/zinc/72/90/48/529729048.db2.gz OUHOPLOQYFTUSV-TZMCWYRMSA-N 2 1 295.496 3.396 20 0 CGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503343 349822315 /nfs/dbraw/zinc/82/23/15/349822315.db2.gz WBLWNHBCMQLQGB-NWDGAFQWSA-N 2 1 280.378 3.426 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623556305 349833096 /nfs/dbraw/zinc/83/30/96/349833096.db2.gz AADCYBWUSYPQBV-OAHLLOKOSA-N 2 1 272.436 3.447 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000449356607 529800514 /nfs/dbraw/zinc/80/05/14/529800514.db2.gz CAWIVNLYIOYXSQ-AWEZNQCLSA-N 2 1 299.443 3.127 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@H]2CCC[C@H]21 ZINC000414174187 529807024 /nfs/dbraw/zinc/80/70/24/529807024.db2.gz XVNANSCHZGFEOK-FZMABENVSA-N 2 1 288.410 3.144 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000623655435 349856823 /nfs/dbraw/zinc/85/68/23/349856823.db2.gz XOXOKCNHKDPYDQ-MRXNPFEDSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000623654565 349856873 /nfs/dbraw/zinc/85/68/73/349856873.db2.gz COORDLRYRQBYJL-CQSZACIVSA-N 2 1 266.816 3.162 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656148 349857129 /nfs/dbraw/zinc/85/71/29/349857129.db2.gz OBSBWSFHBZYIFR-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1Cl ZINC000359217507 529877578 /nfs/dbraw/zinc/87/75/78/529877578.db2.gz SDKHEPQLCGMALB-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP C/C=C/C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623739788 349874645 /nfs/dbraw/zinc/87/46/45/349874645.db2.gz GIFDKLJQGFQUOE-YATRRXNKSA-N 2 1 270.420 3.349 20 0 CGADMP C/C=C/C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623739788 349874649 /nfs/dbraw/zinc/87/46/49/349874649.db2.gz GIFDKLJQGFQUOE-YATRRXNKSA-N 2 1 270.420 3.349 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000128118230 187353222 /nfs/dbraw/zinc/35/32/22/187353222.db2.gz LKUDEMLBLFUTBO-CQSZACIVSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295087188 199338881 /nfs/dbraw/zinc/33/88/81/199338881.db2.gz SQYUFUZKYDLNQK-HZTRTUMWSA-N 2 1 290.426 3.362 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000623887684 349906016 /nfs/dbraw/zinc/90/60/16/349906016.db2.gz KCALSGQWHAIDLU-QAPCUYQASA-N 2 1 290.451 3.186 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000037197202 344948100 /nfs/dbraw/zinc/94/81/00/344948100.db2.gz MFICFZVVTMOOEP-AWEZNQCLSA-N 2 1 278.440 3.242 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000044535335 345013147 /nfs/dbraw/zinc/01/31/47/345013147.db2.gz MAMALWCILNHNTH-ZDUSSCGKSA-N 2 1 286.341 3.137 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000149572581 232202911 /nfs/dbraw/zinc/20/29/11/232202911.db2.gz COSNFTYCBVFRKJ-YCPHGPKFSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000080338836 345671198 /nfs/dbraw/zinc/67/11/98/345671198.db2.gz VGHHUUULVOIHPZ-APWZRJJASA-N 2 1 295.430 3.224 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000080338836 345671201 /nfs/dbraw/zinc/67/12/01/345671201.db2.gz VGHHUUULVOIHPZ-APWZRJJASA-N 2 1 295.430 3.224 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000080338838 345671650 /nfs/dbraw/zinc/67/16/50/345671650.db2.gz VGHHUUULVOIHPZ-LPHOPBHVSA-N 2 1 295.430 3.224 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000080338838 345671653 /nfs/dbraw/zinc/67/16/53/345671653.db2.gz VGHHUUULVOIHPZ-LPHOPBHVSA-N 2 1 295.430 3.224 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086904474 345751204 /nfs/dbraw/zinc/75/12/04/345751204.db2.gz IBLUWGKASBQOAA-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000089214460 345766937 /nfs/dbraw/zinc/76/69/37/345766937.db2.gz QCSZUYSORNKSDE-LZLYRXPVSA-N 2 1 288.410 3.420 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000090800183 345794612 /nfs/dbraw/zinc/79/46/12/345794612.db2.gz LUTLZLULTOXEEN-IMUUDWKMSA-N 2 1 299.418 3.135 20 0 CGADMP CC(C)c1ccc(CC[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000122533863 346006258 /nfs/dbraw/zinc/00/62/58/346006258.db2.gz JFQOTELEBHGCIU-QGZVFWFLSA-N 2 1 274.452 3.284 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)ccc2c1 ZINC000156070699 346157162 /nfs/dbraw/zinc/15/71/62/346157162.db2.gz VBJNOOFYIXOOHD-CXAGYDPISA-N 2 1 284.403 3.160 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000193735151 346269236 /nfs/dbraw/zinc/26/92/36/346269236.db2.gz AAJNIQLVZVWCRN-CQSZACIVSA-N 2 1 266.816 3.080 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000227142231 346307952 /nfs/dbraw/zinc/30/79/52/346307952.db2.gz DGAYDWFXHKRWEG-SKHCZCESSA-N 2 1 258.409 3.020 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000248989399 346380273 /nfs/dbraw/zinc/38/02/73/346380273.db2.gz NAGRHEQBZCQBCR-HOCLYGCPSA-N 2 1 254.462 3.235 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000252694274 346392072 /nfs/dbraw/zinc/39/20/72/346392072.db2.gz ZNLHZPGRNXPLOC-OWCLPIDISA-N 2 1 260.425 3.342 20 0 CGADMP CCC(C)(C)C1CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000399108003 346586865 /nfs/dbraw/zinc/58/68/65/346586865.db2.gz JFWLHNRZYQNXRM-UHFFFAOYSA-N 2 1 296.499 3.028 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCCO2 ZINC000423527425 282519084 /nfs/dbraw/zinc/51/90/84/282519084.db2.gz MLNCMTIXSABAKK-HNNXBMFYSA-N 2 1 294.826 3.285 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000594784484 347216692 /nfs/dbraw/zinc/21/66/92/347216692.db2.gz MRSCCJHSZDMJCS-JBXOJTMHSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119865 349977395 /nfs/dbraw/zinc/97/73/95/349977395.db2.gz LBXWHFOAIAORCZ-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120840 349978116 /nfs/dbraw/zinc/97/81/16/349978116.db2.gz ICPCGCTWZYLJJO-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000339381123 215135371 /nfs/dbraw/zinc/13/53/71/215135371.db2.gz ZJLALUJLQWAZPA-INIZCTEOSA-N 2 1 290.426 3.491 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000339381123 215135374 /nfs/dbraw/zinc/13/53/74/215135374.db2.gz ZJLALUJLQWAZPA-INIZCTEOSA-N 2 1 290.426 3.491 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000339406380 215150434 /nfs/dbraw/zinc/15/04/34/215150434.db2.gz GKQPFAFKKKBKDE-LBPRGKRZSA-N 2 1 287.234 3.349 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000339406380 215150435 /nfs/dbraw/zinc/15/04/35/215150435.db2.gz GKQPFAFKKKBKDE-LBPRGKRZSA-N 2 1 287.234 3.349 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123246 349983222 /nfs/dbraw/zinc/98/32/22/349983222.db2.gz IQLDPDLPWWDRPO-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000339407545 215153573 /nfs/dbraw/zinc/15/35/73/215153573.db2.gz OYJDZWJSFJCAFE-DLBZAZTESA-N 2 1 290.451 3.295 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3ccccc3Cl)C2)C1 ZINC000339426834 215161502 /nfs/dbraw/zinc/16/15/02/215161502.db2.gz RLCOLJSVCHGMRS-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3ccccc3Cl)C2)C1 ZINC000339426834 215161504 /nfs/dbraw/zinc/16/15/04/215161504.db2.gz RLCOLJSVCHGMRS-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3ccccc3Cl)C2)C1 ZINC000339426834 215161506 /nfs/dbraw/zinc/16/15/06/215161506.db2.gz RLCOLJSVCHGMRS-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3ccccc3Cl)C2)C1 ZINC000339426834 215161508 /nfs/dbraw/zinc/16/15/08/215161508.db2.gz RLCOLJSVCHGMRS-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP c1ccc(Oc2ccccc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000613552814 348617225 /nfs/dbraw/zinc/61/72/25/348617225.db2.gz PEPIKOBXJKFMFQ-IRXDYDNUSA-N 2 1 294.398 3.130 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000358090201 233057103 /nfs/dbraw/zinc/05/71/03/233057103.db2.gz WEZCZWMMFKOOKO-FZKQIMNGSA-N 2 1 283.419 3.413 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000618481491 349090663 /nfs/dbraw/zinc/09/06/63/349090663.db2.gz BCDLBXVAVROQAL-UHFFFAOYSA-N 2 1 287.451 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000618481491 349090664 /nfs/dbraw/zinc/09/06/64/349090664.db2.gz BCDLBXVAVROQAL-UHFFFAOYSA-N 2 1 287.451 3.340 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000620762092 349422166 /nfs/dbraw/zinc/42/21/66/349422166.db2.gz FCWQFBUHYMBILU-GOSISDBHSA-N 2 1 274.452 3.459 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213167 191004825 /nfs/dbraw/zinc/00/48/25/191004825.db2.gz VLIBJZBBKRVTHU-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213167 191004826 /nfs/dbraw/zinc/00/48/26/191004826.db2.gz VLIBJZBBKRVTHU-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213167 191004827 /nfs/dbraw/zinc/00/48/27/191004827.db2.gz VLIBJZBBKRVTHU-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000359419298 233314733 /nfs/dbraw/zinc/31/47/33/233314733.db2.gz KSOTZBMOBHVILN-LPHOPBHVSA-N 2 1 298.430 3.322 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3C[C@H]3C)C2)s1 ZINC000625402621 350167634 /nfs/dbraw/zinc/16/76/34/350167634.db2.gz QYKNBTLWHCZRDS-FVQBIDKESA-N 2 1 292.492 3.466 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3C[C@H]3C)C2)s1 ZINC000625402621 350167636 /nfs/dbraw/zinc/16/76/36/350167636.db2.gz QYKNBTLWHCZRDS-FVQBIDKESA-N 2 1 292.492 3.466 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3C[C@H]3C)C2)s1 ZINC000625402621 350167638 /nfs/dbraw/zinc/16/76/38/350167638.db2.gz QYKNBTLWHCZRDS-FVQBIDKESA-N 2 1 292.492 3.466 20 0 CGADMP C/C=C\C[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000626164719 350275687 /nfs/dbraw/zinc/27/56/87/350275687.db2.gz OAYDUBVYNWLHPQ-JZIMQPMSSA-N 2 1 261.413 3.031 20 0 CGADMP C/C=C\C[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000626164719 350275688 /nfs/dbraw/zinc/27/56/88/350275688.db2.gz OAYDUBVYNWLHPQ-JZIMQPMSSA-N 2 1 261.413 3.031 20 0 CGADMP C/C=C/C[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000626164718 350275863 /nfs/dbraw/zinc/27/58/63/350275863.db2.gz OAYDUBVYNWLHPQ-BWPKMQGJSA-N 2 1 261.413 3.031 20 0 CGADMP C/C=C/C[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000626164718 350275865 /nfs/dbraw/zinc/27/58/65/350275865.db2.gz OAYDUBVYNWLHPQ-BWPKMQGJSA-N 2 1 261.413 3.031 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccsc1 ZINC000271355752 191093249 /nfs/dbraw/zinc/09/32/49/191093249.db2.gz ZJNHDOYLGXXVGY-CABCVRRESA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000271355752 191093251 /nfs/dbraw/zinc/09/32/51/191093251.db2.gz ZJNHDOYLGXXVGY-CABCVRRESA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000271355752 191093253 /nfs/dbraw/zinc/09/32/53/191093253.db2.gz ZJNHDOYLGXXVGY-CABCVRRESA-N 2 1 264.438 3.369 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000352123501 219328708 /nfs/dbraw/zinc/32/87/08/219328708.db2.gz OOMYJMBHJWQSEC-OWCLPIDISA-N 2 1 290.451 3.033 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000352123501 219328710 /nfs/dbraw/zinc/32/87/10/219328710.db2.gz OOMYJMBHJWQSEC-OWCLPIDISA-N 2 1 290.451 3.033 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628202845 350439470 /nfs/dbraw/zinc/43/94/70/350439470.db2.gz JZNSHSXIURNOGM-HOTGVXAUSA-N 2 1 284.513 3.374 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628185355 350429640 /nfs/dbraw/zinc/42/96/40/350429640.db2.gz VUMQPPIFTZJVQC-INIZCTEOSA-N 2 1 285.435 3.332 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000628278469 350475482 /nfs/dbraw/zinc/47/54/82/350475482.db2.gz RMSAIYUALSWSPR-DLBZAZTESA-N 2 1 274.452 3.418 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000628425693 350537014 /nfs/dbraw/zinc/53/70/14/350537014.db2.gz SHAJADLNRUQLLK-DOTOQJQBSA-N 2 1 290.451 3.035 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000629527798 350702855 /nfs/dbraw/zinc/70/28/55/350702855.db2.gz GOILKURCUSAKRW-LTIDMASMSA-N 2 1 287.451 3.146 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000629527105 350702956 /nfs/dbraw/zinc/70/29/56/350702956.db2.gz KDFASTCSQFBOKW-MWDXBVQZSA-N 2 1 272.436 3.299 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000629528856 350703141 /nfs/dbraw/zinc/70/31/41/350703141.db2.gz LBSKEPSRLPXGFG-HNNXBMFYSA-N 2 1 275.440 3.074 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537723 350706028 /nfs/dbraw/zinc/70/60/28/350706028.db2.gz KPKLWEXRUGJMQU-KBRIMQKVSA-N 2 1 278.415 3.123 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000629547861 350709994 /nfs/dbraw/zinc/70/99/94/350709994.db2.gz VRBYBFFSCUCUOM-DLKVLKDVSA-N 2 1 278.827 3.316 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1F ZINC000629551631 350712322 /nfs/dbraw/zinc/71/23/22/350712322.db2.gz VZURFZLNDYZYCO-HIFRSBDPSA-N 2 1 294.389 3.144 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556740 350712623 /nfs/dbraw/zinc/71/26/23/350712623.db2.gz XIPBXPLQSTWCBO-ZNMIVQPWSA-N 2 1 264.800 3.187 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000629510891 350698693 /nfs/dbraw/zinc/69/86/93/350698693.db2.gz WVPFSBYUDWRGHA-DZGCQCFKSA-N 2 1 275.440 3.073 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000629518486 350700527 /nfs/dbraw/zinc/70/05/27/350700527.db2.gz MPYYLFIUUANCOX-INIZCTEOSA-N 2 1 275.440 3.087 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000629518486 350700529 /nfs/dbraw/zinc/70/05/29/350700529.db2.gz MPYYLFIUUANCOX-INIZCTEOSA-N 2 1 275.440 3.087 20 0 CGADMP Cc1[nH+]cc(-c2ccc(C[N@H+]3CCC[C@H]3C)cc2)n1C ZINC000630052317 350802350 /nfs/dbraw/zinc/80/23/50/350802350.db2.gz VLJAWNRQQGWSBH-CYBMUJFWSA-N 2 1 269.392 3.380 20 0 CGADMP Cc1[nH+]cc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)n1C ZINC000630052317 350802355 /nfs/dbraw/zinc/80/23/55/350802355.db2.gz VLJAWNRQQGWSBH-CYBMUJFWSA-N 2 1 269.392 3.380 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+](C)CC2)c(C)c1 ZINC000631035548 350931937 /nfs/dbraw/zinc/93/19/37/350931937.db2.gz LLAFDMCYFOPHHD-WAYWQWQTSA-N 2 1 272.436 3.309 20 0 CGADMP CCC1([NH+](C)C)CCN(c2cc[nH+]cc2Cl)CC1 ZINC000631477558 351049134 /nfs/dbraw/zinc/04/91/34/351049134.db2.gz ICLUVTBNVBCFRU-UHFFFAOYSA-N 2 1 267.804 3.046 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)F ZINC000631661038 351108662 /nfs/dbraw/zinc/10/86/62/351108662.db2.gz ZVVHANCXCSDUPA-GOEBONIOSA-N 2 1 278.415 3.235 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631585335 351078782 /nfs/dbraw/zinc/07/87/82/351078782.db2.gz PEBJYGWVTIJGON-QAPCUYQASA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631585335 351078784 /nfs/dbraw/zinc/07/87/84/351078784.db2.gz PEBJYGWVTIJGON-QAPCUYQASA-N 2 1 287.451 3.313 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)n1 ZINC000631829224 351148972 /nfs/dbraw/zinc/14/89/72/351148972.db2.gz LCMUEEKJVXHOPO-FZKQIMNGSA-N 2 1 289.467 3.346 20 0 CGADMP FC(F)(F)c1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000631834802 351149533 /nfs/dbraw/zinc/14/95/33/351149533.db2.gz FXCJEINJRAQEII-UHFFFAOYSA-N 2 1 298.352 3.063 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836965 351150600 /nfs/dbraw/zinc/15/06/00/351150600.db2.gz KQFBCCFQTNBWLN-NQBHXWOUSA-N 2 1 297.240 3.037 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836965 351150603 /nfs/dbraw/zinc/15/06/03/351150603.db2.gz KQFBCCFQTNBWLN-NQBHXWOUSA-N 2 1 297.240 3.037 20 0 CGADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000631861330 351151115 /nfs/dbraw/zinc/15/11/15/351151115.db2.gz ZCYPJIRGIPZRIO-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000631861330 351151118 /nfs/dbraw/zinc/15/11/18/351151118.db2.gz ZCYPJIRGIPZRIO-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891056 351153321 /nfs/dbraw/zinc/15/33/21/351153321.db2.gz VRFXBZAAHQBVNR-ZHALLVOQSA-N 2 1 284.447 3.180 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336506051 213382283 /nfs/dbraw/zinc/38/22/83/213382283.db2.gz QIRIMDYAUPMMNQ-LBPRGKRZSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679588 351565178 /nfs/dbraw/zinc/56/51/78/351565178.db2.gz ZEULYYPSQCXLPO-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679588 351565182 /nfs/dbraw/zinc/56/51/82/351565182.db2.gz ZEULYYPSQCXLPO-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP CCc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cn1 ZINC000352255945 219384107 /nfs/dbraw/zinc/38/41/07/219384107.db2.gz DTZZAVKIXINWES-UHFFFAOYSA-N 2 1 289.467 3.388 20 0 CGADMP CCc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000352255945 219384109 /nfs/dbraw/zinc/38/41/09/219384109.db2.gz DTZZAVKIXINWES-UHFFFAOYSA-N 2 1 289.467 3.388 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000339849287 215363454 /nfs/dbraw/zinc/36/34/54/215363454.db2.gz KLJZZNSQXUNBBM-GOSISDBHSA-N 2 1 272.436 3.159 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123795230 187109177 /nfs/dbraw/zinc/10/91/77/187109177.db2.gz ANNFXBOVFCGEPQ-WFASDCNBSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123795230 187109178 /nfs/dbraw/zinc/10/91/78/187109178.db2.gz ANNFXBOVFCGEPQ-WFASDCNBSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000123795230 187109179 /nfs/dbraw/zinc/10/91/79/187109179.db2.gz ANNFXBOVFCGEPQ-WFASDCNBSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000123795230 187109180 /nfs/dbraw/zinc/10/91/80/187109180.db2.gz ANNFXBOVFCGEPQ-WFASDCNBSA-N 2 1 266.816 3.255 20 0 CGADMP COCc1ccccc1/C=C(\C)C[NH2+]CCn1cc[nH+]c1C ZINC000352281228 219393233 /nfs/dbraw/zinc/39/32/33/219393233.db2.gz LNDUZOCKOAMRFU-NTCAYCPXSA-N 2 1 299.418 3.031 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000364681595 234060340 /nfs/dbraw/zinc/06/03/40/234060340.db2.gz JCAXZCLNCBPFPF-NVXWUHKLSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000364681595 234060341 /nfs/dbraw/zinc/06/03/41/234060341.db2.gz JCAXZCLNCBPFPF-NVXWUHKLSA-N 2 1 275.440 3.484 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000366970163 234194796 /nfs/dbraw/zinc/19/47/96/234194796.db2.gz PUKUUNSTTNPQEE-FCGDIQPGSA-N 2 1 284.447 3.287 20 0 CGADMP CC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152169821 188000119 /nfs/dbraw/zinc/00/01/19/188000119.db2.gz GNVHTGJWRUEIJJ-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000271658621 191264068 /nfs/dbraw/zinc/26/40/68/191264068.db2.gz GJNYQWYKKQQBBI-QWHCGFSZSA-N 2 1 298.377 3.423 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1OC(F)F ZINC000271658621 191264070 /nfs/dbraw/zinc/26/40/70/191264070.db2.gz GJNYQWYKKQQBBI-QWHCGFSZSA-N 2 1 298.377 3.423 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000156194314 188248896 /nfs/dbraw/zinc/24/88/96/188248896.db2.gz WMPOLWNSZSKILJ-VYDXJSESSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000156194314 188248898 /nfs/dbraw/zinc/24/88/98/188248898.db2.gz WMPOLWNSZSKILJ-VYDXJSESSA-N 2 1 260.425 3.437 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccncc1)C(C)C ZINC000156726015 188277972 /nfs/dbraw/zinc/27/79/72/188277972.db2.gz XPGBVEHZXUFAOU-OAHLLOKOSA-N 2 1 263.429 3.241 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCSCc2ccccc2F)CC[N@H+]1C ZINC000158769930 188393443 /nfs/dbraw/zinc/39/34/43/188393443.db2.gz CTRRUTJTSIVPCI-ZFWWWQNUSA-N 2 1 296.455 3.131 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC1(C)C ZINC000094303057 290387482 /nfs/dbraw/zinc/38/74/82/290387482.db2.gz KTGALHKIRBAQGJ-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000271731751 191294860 /nfs/dbraw/zinc/29/48/60/191294860.db2.gz YPQUWYZFINACKG-CABCVRRESA-N 2 1 276.424 3.139 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000271731751 191294863 /nfs/dbraw/zinc/29/48/63/191294863.db2.gz YPQUWYZFINACKG-CABCVRRESA-N 2 1 276.424 3.139 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271833296 191355405 /nfs/dbraw/zinc/35/54/05/191355405.db2.gz FHGKPKBALGGGPK-MRXNPFEDSA-N 2 1 272.436 3.168 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)cc1 ZINC000271822213 191349123 /nfs/dbraw/zinc/34/91/23/191349123.db2.gz CKGZGCJYQSSCOV-LJQANCHMSA-N 2 1 284.447 3.168 20 0 CGADMP C[N@H+]1CC=C(C[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000271875998 191385075 /nfs/dbraw/zinc/38/50/75/191385075.db2.gz ZEKMEIWQBVVNDD-UHFFFAOYSA-N 2 1 299.443 3.162 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000271875998 191385078 /nfs/dbraw/zinc/38/50/78/191385078.db2.gz ZEKMEIWQBVVNDD-UHFFFAOYSA-N 2 1 299.443 3.162 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271886439 191390131 /nfs/dbraw/zinc/39/01/31/191390131.db2.gz QUSULNDJCODNHM-QGZVFWFLSA-N 2 1 274.383 3.128 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+]CCn3cc[nH+]c3C)oc21 ZINC000271886318 191390576 /nfs/dbraw/zinc/39/05/76/191390576.db2.gz QRYFUGSGNBPQKP-GFCCVEGCSA-N 2 1 299.374 3.297 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000353624158 283140104 /nfs/dbraw/zinc/14/01/04/283140104.db2.gz SGUZOKVORYBQOX-ZOBORPQBSA-N 2 1 272.383 3.027 20 0 CGADMP Fc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488255 138346783 /nfs/dbraw/zinc/34/67/83/138346783.db2.gz KEDVSCUZRSIWCG-BHYGNILZSA-N 2 1 276.399 3.226 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000093516102 138347255 /nfs/dbraw/zinc/34/72/55/138347255.db2.gz SFJQKCZSYLJKSX-TZMCWYRMSA-N 2 1 282.378 3.365 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)ccc1F ZINC000093516507 138347701 /nfs/dbraw/zinc/34/77/01/138347701.db2.gz GWGPKSQEKIRJDV-DOMZBBRYSA-N 2 1 282.378 3.365 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1Cl ZINC000124697352 138376629 /nfs/dbraw/zinc/37/66/29/138376629.db2.gz AFBCOHRNRDZLOU-OLZOCXBDSA-N 2 1 266.816 3.475 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1Cl ZINC000124697352 138376631 /nfs/dbraw/zinc/37/66/31/138376631.db2.gz AFBCOHRNRDZLOU-OLZOCXBDSA-N 2 1 266.816 3.475 20 0 CGADMP COC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC1 ZINC000180194348 138429803 /nfs/dbraw/zinc/42/98/03/138429803.db2.gz NALCMBYLCMXHOQ-CQSZACIVSA-N 2 1 299.418 3.400 20 0 CGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423262959 236013966 /nfs/dbraw/zinc/01/39/66/236013966.db2.gz NXDYJSVXICKSMV-OXXUSNJHSA-N 2 1 290.451 3.150 20 0 CGADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC(C)(C)[NH3+])CC2 ZINC000423290015 236025622 /nfs/dbraw/zinc/02/56/22/236025622.db2.gz ZADYUFCZPKPOGS-LBPRGKRZSA-N 2 1 297.240 3.072 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000423299955 236031253 /nfs/dbraw/zinc/03/12/53/236031253.db2.gz QOPADIZFWLDIBQ-SFYZADRCSA-N 2 1 279.186 3.378 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423389782 236059906 /nfs/dbraw/zinc/05/99/06/236059906.db2.gz JSBKYUDQWUPZJO-GUYCJALGSA-N 2 1 272.367 3.046 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+]CC[C@H]3CCC[NH2+]3)oc21 ZINC000423353208 236048461 /nfs/dbraw/zinc/04/84/61/236048461.db2.gz BFPJCAOHCGGZOG-TZMCWYRMSA-N 2 1 288.391 3.234 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)s1 ZINC000423375541 236055578 /nfs/dbraw/zinc/05/55/78/236055578.db2.gz KSAOLBMWTKJIEY-KXUCPTDWSA-N 2 1 258.818 3.193 20 0 CGADMP COC[C@@]1(C[NH2+][C@H](C)c2cccc3ccccc32)CCC[NH2+]1 ZINC000423439702 236071262 /nfs/dbraw/zinc/07/12/62/236071262.db2.gz VKDOUNJJFZWDSE-BEFAXECRSA-N 2 1 298.430 3.259 20 0 CGADMP Cc1cc(F)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000424174946 236128372 /nfs/dbraw/zinc/12/83/72/236128372.db2.gz PROSRIDAWXYQMR-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCCC[C@H]3[NH3+])oc21 ZINC000424370652 236158080 /nfs/dbraw/zinc/15/80/80/236158080.db2.gz DVFYGQRXHPDTBU-MRVWCRGKSA-N 2 1 288.391 3.362 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccsc1Cl)CC[NH2+]CC2 ZINC000424386975 236158907 /nfs/dbraw/zinc/15/89/07/236158907.db2.gz XWTHKBLZODLGKY-NSHDSACASA-N 2 1 284.856 3.366 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC000414733225 291122756 /nfs/dbraw/zinc/12/27/56/291122756.db2.gz DIWNXAYYENAQFG-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000088163918 299273221 /nfs/dbraw/zinc/27/32/21/299273221.db2.gz XKUBCSDLRZUJRH-WWTUQBGBSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000088163918 299273224 /nfs/dbraw/zinc/27/32/24/299273224.db2.gz XKUBCSDLRZUJRH-WWTUQBGBSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000294734249 199157838 /nfs/dbraw/zinc/15/78/38/199157838.db2.gz DOAMXANXNHDNAS-ALOPSCKCSA-N 2 1 258.409 3.018 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000092739407 299289970 /nfs/dbraw/zinc/28/99/70/299289970.db2.gz VSOHGPYEPZLRHX-BBWFWOEESA-N 2 1 289.467 3.490 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cn1 ZINC000274902735 192834226 /nfs/dbraw/zinc/83/42/26/192834226.db2.gz LOGJMGSLGLXTIJ-IACUBPJLSA-N 2 1 281.831 3.258 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000437086775 237244751 /nfs/dbraw/zinc/24/47/51/237244751.db2.gz GWSUZWDQTPLFSM-OWYHZJEWSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000437086775 237244757 /nfs/dbraw/zinc/24/47/57/237244757.db2.gz GWSUZWDQTPLFSM-OWYHZJEWSA-N 2 1 286.463 3.328 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297432109 200188842 /nfs/dbraw/zinc/18/88/42/200188842.db2.gz NKTLGEHRUMOHNE-YJBOKZPZSA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000298275302 200379433 /nfs/dbraw/zinc/37/94/33/200379433.db2.gz GOWVZTXRXIKTMY-UHFFFAOYSA-N 2 1 290.426 3.320 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000177295765 189042751 /nfs/dbraw/zinc/04/27/51/189042751.db2.gz OLKVMJGROZLLPD-KBPBESRZSA-N 2 1 287.407 3.187 20 0 CGADMP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1OC(F)F ZINC000178115227 189091734 /nfs/dbraw/zinc/09/17/34/189091734.db2.gz QNNZLJJUOQZMGC-ZDUSSCGKSA-N 2 1 286.366 3.280 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c2ccccc12 ZINC000179638654 189208743 /nfs/dbraw/zinc/20/87/43/189208743.db2.gz HHLRERAZOHPZDB-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180188075 189241786 /nfs/dbraw/zinc/24/17/86/189241786.db2.gz YWNMUGPCEJHXFC-OAHLLOKOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180188075 189241787 /nfs/dbraw/zinc/24/17/87/189241787.db2.gz YWNMUGPCEJHXFC-OAHLLOKOSA-N 2 1 276.399 3.052 20 0 CGADMP CC/C=C/CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000342251821 216278505 /nfs/dbraw/zinc/27/85/05/216278505.db2.gz RGLUCESEJSEPGG-DWTRPJMMSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C/CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000342251821 216278508 /nfs/dbraw/zinc/27/85/08/216278508.db2.gz RGLUCESEJSEPGG-DWTRPJMMSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C/CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000342251821 216278510 /nfs/dbraw/zinc/27/85/10/216278510.db2.gz RGLUCESEJSEPGG-DWTRPJMMSA-N 2 1 250.430 3.006 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000342549324 216395397 /nfs/dbraw/zinc/39/53/97/216395397.db2.gz RTMNOOYKLVKCBN-HNNXBMFYSA-N 2 1 283.419 3.492 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000342549324 216395399 /nfs/dbraw/zinc/39/53/99/216395399.db2.gz RTMNOOYKLVKCBN-HNNXBMFYSA-N 2 1 283.419 3.492 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000119671474 370696464 /nfs/dbraw/zinc/69/64/64/370696464.db2.gz VSWSGZCFMTVTFS-JJRVBVJISA-N 2 1 299.418 3.256 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000449220751 239252805 /nfs/dbraw/zinc/25/28/05/239252805.db2.gz RKIQKODGQNQSTK-UHFFFAOYSA-N 2 1 298.430 3.424 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233019 239257939 /nfs/dbraw/zinc/25/79/39/239257939.db2.gz KBNZYKOXWIRDSY-INMHGKMJSA-N 2 1 290.451 3.453 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2n1 ZINC000275624294 193089035 /nfs/dbraw/zinc/08/90/35/193089035.db2.gz PEEXTOUFOASMLY-OALUTQOASA-N 2 1 295.430 3.260 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)ccc2n1 ZINC000275624294 193089037 /nfs/dbraw/zinc/08/90/37/193089037.db2.gz PEEXTOUFOASMLY-OALUTQOASA-N 2 1 295.430 3.260 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000275595391 193082930 /nfs/dbraw/zinc/08/29/30/193082930.db2.gz PYRMUNJXNKCFHM-VXGBXAGGSA-N 2 1 291.345 3.075 20 0 CGADMP Cc1oc2ccccc2c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335560638 212267161 /nfs/dbraw/zinc/26/71/61/212267161.db2.gz JMXWFPLVQQZDMK-UHFFFAOYSA-N 2 1 270.376 3.069 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000459361307 242089307 /nfs/dbraw/zinc/08/93/07/242089307.db2.gz GESLBBMHWHXBNE-BVBHFADKSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000459361307 242089311 /nfs/dbraw/zinc/08/93/11/242089311.db2.gz GESLBBMHWHXBNE-BVBHFADKSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000459361307 242089315 /nfs/dbraw/zinc/08/93/15/242089315.db2.gz GESLBBMHWHXBNE-BVBHFADKSA-N 2 1 286.463 3.452 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000459394366 242096646 /nfs/dbraw/zinc/09/66/46/242096646.db2.gz SWNLNXYIFIWIGR-ZDUSSCGKSA-N 2 1 291.826 3.313 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000340440628 291390314 /nfs/dbraw/zinc/39/03/14/291390314.db2.gz PVCBNEXYFHRPCC-AKHDSKFASA-N 2 1 284.447 3.397 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777222 242227166 /nfs/dbraw/zinc/22/71/66/242227166.db2.gz KIQMTZSXJZRNLZ-CABCVRRESA-N 2 1 280.481 3.391 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(F)c1 ZINC000275885780 193154891 /nfs/dbraw/zinc/15/48/91/193154891.db2.gz PWSMXUOQLUJAFV-MRXNPFEDSA-N 2 1 275.371 3.462 20 0 CGADMP Cc1cccc2c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c[nH+]c12 ZINC000462481323 242346308 /nfs/dbraw/zinc/34/63/08/242346308.db2.gz RSMMCKVLHJJRSF-GJZGRUSLSA-N 2 1 283.419 3.168 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCC(C)C ZINC000121488478 370866241 /nfs/dbraw/zinc/86/62/41/370866241.db2.gz URRPTQYCHIHAJG-ZIAGYGMSSA-N 2 1 251.418 3.242 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000472288035 242804699 /nfs/dbraw/zinc/80/46/99/242804699.db2.gz QQBVFKLYNDXGRV-INIZCTEOSA-N 2 1 284.488 3.245 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000480671482 243159472 /nfs/dbraw/zinc/15/94/72/243159472.db2.gz NAVSJFNHYYLTRQ-RHSMWYFYSA-N 2 1 260.425 3.382 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000479690056 243120335 /nfs/dbraw/zinc/12/03/35/243120335.db2.gz JXUBAILEAWXSSG-INIZCTEOSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698074 243121150 /nfs/dbraw/zinc/12/11/50/243121150.db2.gz ASPUOUZXNLKBNN-QFBILLFUSA-N 2 1 286.463 3.329 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000482022970 243215041 /nfs/dbraw/zinc/21/50/41/243215041.db2.gz WIVOROHGUFDLIT-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000482022970 243215045 /nfs/dbraw/zinc/21/50/45/243215045.db2.gz WIVOROHGUFDLIT-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000482022970 243215048 /nfs/dbraw/zinc/21/50/48/243215048.db2.gz WIVOROHGUFDLIT-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000480921590 243169755 /nfs/dbraw/zinc/16/97/55/243169755.db2.gz RKHOTTSIZQZRKT-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000122848460 370907709 /nfs/dbraw/zinc/90/77/09/370907709.db2.gz JNGOAZXIIJSPQG-PNESKVBLSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124038010 370919032 /nfs/dbraw/zinc/91/90/32/370919032.db2.gz FYEOYUKYKPEYBO-NJAFHUGGSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000124038010 370919040 /nfs/dbraw/zinc/91/90/40/370919040.db2.gz FYEOYUKYKPEYBO-NJAFHUGGSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000124038010 370919046 /nfs/dbraw/zinc/91/90/46/370919046.db2.gz FYEOYUKYKPEYBO-NJAFHUGGSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000034958896 368982718 /nfs/dbraw/zinc/98/27/18/368982718.db2.gz HCABSXMRIATBLL-GVZPALNKSA-N 2 1 262.372 3.102 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000035010575 368988452 /nfs/dbraw/zinc/98/84/52/368988452.db2.gz SPQHABRJFXYFGN-OAHLLOKOSA-N 2 1 260.425 3.438 20 0 CGADMP CC(C)(C)n1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000037232540 369078357 /nfs/dbraw/zinc/07/83/57/369078357.db2.gz BDQRVVIJNMTSJZ-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP c1ccc(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000037648898 369095709 /nfs/dbraw/zinc/09/57/09/369095709.db2.gz DXXIPEHDMAFLAU-ODIFPOPNSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@H]([NH2+]CCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000037713790 369100631 /nfs/dbraw/zinc/10/06/31/369100631.db2.gz WWYQVSILZRGOHN-ZETCQYMHSA-N 2 1 265.159 3.132 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000040517531 369159596 /nfs/dbraw/zinc/15/95/96/369159596.db2.gz NFCBKPPBNHAFDK-GFCCVEGCSA-N 2 1 281.469 3.285 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919475 369457144 /nfs/dbraw/zinc/45/71/44/369457144.db2.gz XELZYBKDZJOLFA-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2ccccc21 ZINC000052062080 369462674 /nfs/dbraw/zinc/46/26/74/369462674.db2.gz SLTSULWZJKGSJM-BBRMVZONSA-N 2 1 254.377 3.151 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000127821686 370956395 /nfs/dbraw/zinc/95/63/95/370956395.db2.gz XTCMPPAMGBQARI-CGTJXYLNSA-N 2 1 274.452 3.499 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000129007546 370970622 /nfs/dbraw/zinc/97/06/22/370970622.db2.gz LKCPCGUQEVRZCO-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465514 369503404 /nfs/dbraw/zinc/50/34/04/369503404.db2.gz GFFYCZCOSUNEJB-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000276356983 193298704 /nfs/dbraw/zinc/29/87/04/193298704.db2.gz MFMLAUAUOXSFKK-ZDUSSCGKSA-N 2 1 289.427 3.018 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(C)o1 ZINC000062078291 369619415 /nfs/dbraw/zinc/61/94/15/369619415.db2.gz NCZOKRVMWDGEHP-GXTWGEPZSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000070074554 369779093 /nfs/dbraw/zinc/77/90/93/369779093.db2.gz UWQCGAOSAQFTNV-RYUDHWBXSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000070074554 369779099 /nfs/dbraw/zinc/77/90/99/369779099.db2.gz UWQCGAOSAQFTNV-RYUDHWBXSA-N 2 1 297.240 3.008 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148567 369782512 /nfs/dbraw/zinc/78/25/12/369782512.db2.gz GTUXAIBHHUYQRU-CQSZACIVSA-N 2 1 264.438 3.112 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000070149702 369782692 /nfs/dbraw/zinc/78/26/92/369782692.db2.gz NBSBHQMENNKPNP-HNNXBMFYSA-N 2 1 285.391 3.045 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000070149702 369782697 /nfs/dbraw/zinc/78/26/97/369782697.db2.gz NBSBHQMENNKPNP-HNNXBMFYSA-N 2 1 285.391 3.045 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171842 369786404 /nfs/dbraw/zinc/78/64/04/369786404.db2.gz OVHHZXIZZGGPLL-GDBMZVCRSA-N 2 1 276.424 3.033 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2sccc2C)[C@H](C)C1 ZINC000093639033 370150282 /nfs/dbraw/zinc/15/02/82/370150282.db2.gz BLKLOVAGGATWFR-KGLIPLIRSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2sccc2C)[C@H](C)C1 ZINC000093639033 370150286 /nfs/dbraw/zinc/15/02/86/370150286.db2.gz BLKLOVAGGATWFR-KGLIPLIRSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sccc2C)[C@H](C)C1 ZINC000093639033 370150290 /nfs/dbraw/zinc/15/02/90/370150290.db2.gz BLKLOVAGGATWFR-KGLIPLIRSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000093644252 370151518 /nfs/dbraw/zinc/15/15/18/370151518.db2.gz ULFGRZOYJAQBGE-PBHICJAKSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000093644252 370151520 /nfs/dbraw/zinc/15/15/20/370151520.db2.gz ULFGRZOYJAQBGE-PBHICJAKSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000093644252 370151524 /nfs/dbraw/zinc/15/15/24/370151524.db2.gz ULFGRZOYJAQBGE-PBHICJAKSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000093644252 370151529 /nfs/dbraw/zinc/15/15/29/370151529.db2.gz ULFGRZOYJAQBGE-PBHICJAKSA-N 2 1 260.425 3.218 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000093753135 370156034 /nfs/dbraw/zinc/15/60/34/370156034.db2.gz YJHZPZGBIZVDCJ-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093753135 370156037 /nfs/dbraw/zinc/15/60/37/370156037.db2.gz YJHZPZGBIZVDCJ-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093753135 370156042 /nfs/dbraw/zinc/15/60/42/370156042.db2.gz YJHZPZGBIZVDCJ-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)ccc2n1 ZINC000097862646 370256076 /nfs/dbraw/zinc/25/60/76/370256076.db2.gz MHNLHBBIPXKUFF-PBHICJAKSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000512674312 245045384 /nfs/dbraw/zinc/04/53/84/245045384.db2.gz VTSKYDMFYSFJNZ-HOTGVXAUSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000512674313 245046185 /nfs/dbraw/zinc/04/61/85/245046185.db2.gz VTSKYDMFYSFJNZ-HZPDHXFCSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@@H]1C[C@H](CC[NH2+]CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000513511547 245083142 /nfs/dbraw/zinc/08/31/42/245083142.db2.gz JQLSYHRBJSKIOJ-QAPCUYQASA-N 2 1 272.436 3.287 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000513760405 245096660 /nfs/dbraw/zinc/09/66/60/245096660.db2.gz IPTLQWKXZFHJKF-YESZJQIVSA-N 2 1 292.854 3.345 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842824 370629091 /nfs/dbraw/zinc/62/90/91/370629091.db2.gz AXTOUFCPOAUCSN-WBVHZDCISA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842824 370629094 /nfs/dbraw/zinc/62/90/94/370629094.db2.gz AXTOUFCPOAUCSN-WBVHZDCISA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842824 370629098 /nfs/dbraw/zinc/62/90/98/370629098.db2.gz AXTOUFCPOAUCSN-WBVHZDCISA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842824 370629101 /nfs/dbraw/zinc/62/91/01/370629101.db2.gz AXTOUFCPOAUCSN-WBVHZDCISA-N 2 1 260.425 3.411 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000131406931 371106034 /nfs/dbraw/zinc/10/60/34/371106034.db2.gz CYZWSIRIODHPAT-INIZCTEOSA-N 2 1 294.414 3.361 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccccc43)CC[C@@H]21 ZINC000133522764 371259845 /nfs/dbraw/zinc/25/98/45/371259845.db2.gz QMFGMQBKWGEROZ-YOEHRIQHSA-N 2 1 281.403 3.155 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2F)CC[N@H+]1C ZINC000133811169 371281947 /nfs/dbraw/zinc/28/19/47/371281947.db2.gz MBDSBTOYIAWXBS-KGLIPLIRSA-N 2 1 278.415 3.176 20 0 CGADMP Fc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860185 371369128 /nfs/dbraw/zinc/36/91/28/371369128.db2.gz YGSWVYGFYDRRAP-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860185 371369138 /nfs/dbraw/zinc/36/91/38/371369138.db2.gz YGSWVYGFYDRRAP-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860185 371369145 /nfs/dbraw/zinc/36/91/45/371369145.db2.gz YGSWVYGFYDRRAP-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860185 371369150 /nfs/dbraw/zinc/36/91/50/371369150.db2.gz YGSWVYGFYDRRAP-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134864982 371370500 /nfs/dbraw/zinc/37/05/00/371370500.db2.gz BTCXMKNJNRPEFQ-IEBWSBKVSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134864982 371370503 /nfs/dbraw/zinc/37/05/03/371370503.db2.gz BTCXMKNJNRPEFQ-IEBWSBKVSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134864982 371370507 /nfs/dbraw/zinc/37/05/07/371370507.db2.gz BTCXMKNJNRPEFQ-IEBWSBKVSA-N 2 1 284.447 3.444 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134880419 371372404 /nfs/dbraw/zinc/37/24/04/371372404.db2.gz MBCSZWDJRCJPEM-WBVHZDCISA-N 2 1 262.441 3.125 20 0 CGADMP C(C1CCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134880419 371372410 /nfs/dbraw/zinc/37/24/10/371372410.db2.gz MBCSZWDJRCJPEM-WBVHZDCISA-N 2 1 262.441 3.125 20 0 CGADMP C(C1CCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134880419 371372413 /nfs/dbraw/zinc/37/24/13/371372413.db2.gz MBCSZWDJRCJPEM-WBVHZDCISA-N 2 1 262.441 3.125 20 0 CGADMP Cc1ccncc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000135453948 371429258 /nfs/dbraw/zinc/42/92/58/371429258.db2.gz PFRPZWWMEQAVTO-UHFFFAOYSA-N 2 1 275.440 3.134 20 0 CGADMP Cc1ccncc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000135453948 371429262 /nfs/dbraw/zinc/42/92/62/371429262.db2.gz PFRPZWWMEQAVTO-UHFFFAOYSA-N 2 1 275.440 3.134 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cncs2)c1 ZINC000135971575 371456061 /nfs/dbraw/zinc/45/60/61/371456061.db2.gz DQNUODRCVLUHSL-UHFFFAOYSA-N 2 1 289.448 3.273 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000149416269 371528043 /nfs/dbraw/zinc/52/80/43/371528043.db2.gz JDBHVWOWMIFSQH-QGZVFWFLSA-N 2 1 276.399 3.277 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000151132049 371573649 /nfs/dbraw/zinc/57/36/49/371573649.db2.gz HCWFXIGGCOLWTG-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCn1cc[nH+]c1C ZINC000353312678 220021076 /nfs/dbraw/zinc/02/10/76/220021076.db2.gz JTLBGXHINUEUAL-KRWDZBQOSA-N 2 1 299.418 3.212 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000151961061 371658411 /nfs/dbraw/zinc/65/84/11/371658411.db2.gz DLRQWNDZNQIFMY-NSHDSACASA-N 2 1 290.329 3.188 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000152477752 371697483 /nfs/dbraw/zinc/69/74/83/371697483.db2.gz LMEIMZUVGJJDRC-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)[C@H](c2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000422560286 371749747 /nfs/dbraw/zinc/74/97/47/371749747.db2.gz WUSHUACFKTZYBU-KRWDZBQOSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc2cccnc12 ZINC000422558547 371750137 /nfs/dbraw/zinc/75/01/37/371750137.db2.gz BDETVWCTTAKELZ-XUWXXGDYSA-N 2 1 297.446 3.348 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422701354 371756644 /nfs/dbraw/zinc/75/66/44/371756644.db2.gz BSCMHQBEKJTVRQ-KURKYZTESA-N 3 1 295.515 3.009 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000422726375 371769845 /nfs/dbraw/zinc/76/98/45/371769845.db2.gz DSWXHXYCYSUZAR-KGLIPLIRSA-N 2 1 252.789 3.090 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337333474 214013285 /nfs/dbraw/zinc/01/32/85/214013285.db2.gz JROMCJJQVQWDOA-AEFFLSMTSA-N 2 1 289.467 3.429 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337333474 214013287 /nfs/dbraw/zinc/01/32/87/214013287.db2.gz JROMCJJQVQWDOA-AEFFLSMTSA-N 2 1 289.467 3.429 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000422761681 371790222 /nfs/dbraw/zinc/79/02/22/371790222.db2.gz MCCOHNZREDFXDG-TUURBPCVSA-N 2 1 280.362 3.289 20 0 CGADMP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000337340908 214016587 /nfs/dbraw/zinc/01/65/87/214016587.db2.gz PUXDXXJWINVEPX-INIZCTEOSA-N 2 1 292.467 3.430 20 0 CGADMP C[NH+](C)C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000337344938 214018777 /nfs/dbraw/zinc/01/87/77/214018777.db2.gz ZOIDQCNPXOQEEX-UHFFFAOYSA-N 2 1 270.486 3.078 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422831389 371832815 /nfs/dbraw/zinc/83/28/15/371832815.db2.gz SOKRNBYUDBJEKA-IRXDYDNUSA-N 2 1 276.424 3.223 20 0 CGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422774626 371799213 /nfs/dbraw/zinc/79/92/13/371799213.db2.gz XUNLEWPAIUZJMJ-HKUYNNGSSA-N 2 1 296.414 3.278 20 0 CGADMP Cc1cccc([C@@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422775517 371799400 /nfs/dbraw/zinc/79/94/00/371799400.db2.gz BOYXPFKDDFORJH-UONOGXRCSA-N 2 1 269.392 3.257 20 0 CGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422782024 371804320 /nfs/dbraw/zinc/80/43/20/371804320.db2.gz MLRIKSRIHVCZFC-IINYFYTJSA-N 2 1 270.779 3.086 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000422804243 371820919 /nfs/dbraw/zinc/82/09/19/371820919.db2.gz DZCPCLSYNUGNLK-JQFCIGGWSA-N 2 1 258.409 3.176 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000422811440 371824651 /nfs/dbraw/zinc/82/46/51/371824651.db2.gz VYYIXEMQMCNSRS-LRDDRELGSA-N 2 1 282.378 3.365 20 0 CGADMP CCOCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422838886 371835215 /nfs/dbraw/zinc/83/52/15/371835215.db2.gz YMSHKUWTANLBLG-OALUTQOASA-N 2 1 296.414 3.458 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1(C)C ZINC000422816672 371827769 /nfs/dbraw/zinc/82/77/69/371827769.db2.gz FRCHEKCAPWTRLD-UHOFOFEASA-N 2 1 291.439 3.129 20 0 CGADMP Cc1ccccc1Oc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422861948 371842905 /nfs/dbraw/zinc/84/29/05/371842905.db2.gz PEILLJMXALNQSZ-HNNXBMFYSA-N 2 1 296.414 3.485 20 0 CGADMP Cc1cccc(Oc2ccccc2C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422862211 371845391 /nfs/dbraw/zinc/84/53/91/371845391.db2.gz PIXFGGZFIQPTOB-OAHLLOKOSA-N 2 1 296.414 3.485 20 0 CGADMP CC(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000422880644 371851948 /nfs/dbraw/zinc/85/19/48/371851948.db2.gz XIWJUABPQDPRDB-OAHLLOKOSA-N 2 1 268.351 3.004 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289937256 371857141 /nfs/dbraw/zinc/85/71/41/371857141.db2.gz VYKSMNHZOMRNPI-GJZGRUSLSA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289937256 371857143 /nfs/dbraw/zinc/85/71/43/371857143.db2.gz VYKSMNHZOMRNPI-GJZGRUSLSA-N 2 1 283.419 3.227 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422895576 371858849 /nfs/dbraw/zinc/85/88/49/371858849.db2.gz GEQNCPFJZCJHTA-IRXDYDNUSA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422909726 371862937 /nfs/dbraw/zinc/86/29/37/371862937.db2.gz OWRBGNSZXWYTLT-GDBMZVCRSA-N 2 1 290.476 3.432 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)s1 ZINC000422947743 371886433 /nfs/dbraw/zinc/88/64/33/371886433.db2.gz YSSZGCHJVMVJME-FZMZJTMJSA-N 2 1 294.851 3.450 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000422925516 371873646 /nfs/dbraw/zinc/87/36/46/371873646.db2.gz AVWVWASBVBILRZ-GHMZBOCLSA-N 2 1 258.818 3.151 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1nccc2ccccc21 ZINC000290019525 371878024 /nfs/dbraw/zinc/87/80/24/371878024.db2.gz ZYNLIXGKADTVJQ-HNNXBMFYSA-N 2 1 283.419 3.371 20 0 CGADMP COc1ccc(C(C)(C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422946301 371884093 /nfs/dbraw/zinc/88/40/93/371884093.db2.gz OTRXBFYRXTYNKI-CYBMUJFWSA-N 2 1 299.418 3.131 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nccc2ccccc21 ZINC000290033766 371884257 /nfs/dbraw/zinc/88/42/57/371884257.db2.gz BCJBZJPNTNIQLO-AWEZNQCLSA-N 2 1 281.403 3.147 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344102144 217049807 /nfs/dbraw/zinc/04/98/07/217049807.db2.gz FOHWLVALZPAFDV-DZGCQCFKSA-N 2 1 286.419 3.356 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423059583 371939612 /nfs/dbraw/zinc/93/96/12/371939612.db2.gz FYGLARLUJYRITL-XLNGHYISSA-N 2 1 258.409 3.258 20 0 CGADMP CC[C@@H]([NH2+]CCc1cccc(F)c1F)[C@@H]1CCCC[NH2+]1 ZINC000422954148 371890325 /nfs/dbraw/zinc/89/03/25/371890325.db2.gz GYFRPEYWTYGAGU-CABCVRRESA-N 2 1 282.378 3.018 20 0 CGADMP CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423005279 371912908 /nfs/dbraw/zinc/91/29/08/371912908.db2.gz RBFMBVOXOQYYBI-IJEWVQPXSA-N 2 1 278.465 3.287 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000423019510 371918381 /nfs/dbraw/zinc/91/83/81/371918381.db2.gz WARYUQPPKAJSQW-OWCLPIDISA-N 2 1 293.842 3.135 20 0 CGADMP C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423020674 371918680 /nfs/dbraw/zinc/91/86/80/371918680.db2.gz COOIUQSLVLLFPT-BQGCOEIASA-N 2 1 258.409 3.040 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423030115 371924223 /nfs/dbraw/zinc/92/42/23/371924223.db2.gz JCJQUOVOHGDXGZ-FGTMMUONSA-N 3 1 295.515 3.151 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156081351 371960530 /nfs/dbraw/zinc/96/05/30/371960530.db2.gz BJXLJZRYRNAEJV-CYBMUJFWSA-N 2 1 268.351 3.056 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156081351 371960537 /nfs/dbraw/zinc/96/05/37/371960537.db2.gz BJXLJZRYRNAEJV-CYBMUJFWSA-N 2 1 268.351 3.056 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1occc1C ZINC000290328818 371964280 /nfs/dbraw/zinc/96/42/80/371964280.db2.gz DOMLUDXFIAHRIQ-UHFFFAOYSA-N 2 1 275.396 3.259 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1occc1C ZINC000290328818 371964282 /nfs/dbraw/zinc/96/42/82/371964282.db2.gz DOMLUDXFIAHRIQ-UHFFFAOYSA-N 2 1 275.396 3.259 20 0 CGADMP CCOC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(C)C ZINC000423074558 371947190 /nfs/dbraw/zinc/94/71/90/371947190.db2.gz UYSLGSIREBBRGF-SQNIBIBYSA-N 2 1 290.451 3.130 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423086759 371954216 /nfs/dbraw/zinc/95/42/16/371954216.db2.gz NYSUEPLUIWZKGQ-NWDGAFQWSA-N 2 1 276.355 3.301 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)CC(F)(F)F ZINC000423191079 372016984 /nfs/dbraw/zinc/01/69/84/372016984.db2.gz SKQGLXOGODTKGF-ZJUUUORDSA-N 2 1 275.318 3.123 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccsc1 ZINC000423197724 372020676 /nfs/dbraw/zinc/02/06/76/372020676.db2.gz AUCBDFHGEROKQG-GFCCVEGCSA-N 2 1 252.427 3.450 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290588596 372024993 /nfs/dbraw/zinc/02/49/93/372024993.db2.gz VCFVYBUMCRMHMN-LBVFSOKKSA-N 2 1 272.436 3.362 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200009 372025003 /nfs/dbraw/zinc/02/50/03/372025003.db2.gz LHZXYNRCMQRINX-CQSZACIVSA-N 2 1 276.424 3.398 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000290588596 372024994 /nfs/dbraw/zinc/02/49/94/372024994.db2.gz VCFVYBUMCRMHMN-LBVFSOKKSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290588596 372025008 /nfs/dbraw/zinc/02/50/08/372025008.db2.gz VCFVYBUMCRMHMN-LBVFSOKKSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290588596 372025012 /nfs/dbraw/zinc/02/50/12/372025012.db2.gz VCFVYBUMCRMHMN-LBVFSOKKSA-N 2 1 272.436 3.362 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290593872 372025294 /nfs/dbraw/zinc/02/52/94/372025294.db2.gz VNCOXCQQCLKPCK-MAUKXSAKSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290593872 372025298 /nfs/dbraw/zinc/02/52/98/372025298.db2.gz VNCOXCQQCLKPCK-MAUKXSAKSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290593872 372025304 /nfs/dbraw/zinc/02/53/04/372025304.db2.gz VNCOXCQQCLKPCK-MAUKXSAKSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290593872 372025307 /nfs/dbraw/zinc/02/53/07/372025307.db2.gz VNCOXCQQCLKPCK-MAUKXSAKSA-N 2 1 290.451 3.246 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157533846 372026061 /nfs/dbraw/zinc/02/60/61/372026061.db2.gz WOWUGHGCRGNACZ-QKPAOTATSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc2cccnc21 ZINC000290609600 372026039 /nfs/dbraw/zinc/02/60/39/372026039.db2.gz WKJVPHSCWHGZQT-RHSMWYFYSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2cccnc21 ZINC000290609600 372026042 /nfs/dbraw/zinc/02/60/42/372026042.db2.gz WKJVPHSCWHGZQT-RHSMWYFYSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2cccnc21 ZINC000290609600 372026048 /nfs/dbraw/zinc/02/60/48/372026048.db2.gz WKJVPHSCWHGZQT-RHSMWYFYSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2cccnc21 ZINC000290609600 372026053 /nfs/dbraw/zinc/02/60/53/372026053.db2.gz WKJVPHSCWHGZQT-RHSMWYFYSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2cccnc21 ZINC000290609600 372026059 /nfs/dbraw/zinc/02/60/59/372026059.db2.gz WKJVPHSCWHGZQT-RHSMWYFYSA-N 2 1 283.419 3.007 20 0 CGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157588724 372027997 /nfs/dbraw/zinc/02/79/97/372027997.db2.gz QIVKZTRLOJDDSY-ZLGJRNTRSA-N 2 1 288.410 3.288 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(F)(F)F)[C@H](C)C1 ZINC000157674494 372033044 /nfs/dbraw/zinc/03/30/44/372033044.db2.gz AUMHSKSKEGMYQQ-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)[C@H](C)C1 ZINC000157674494 372033045 /nfs/dbraw/zinc/03/30/45/372033045.db2.gz AUMHSKSKEGMYQQ-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)[C@H](C)C1 ZINC000157674494 372033046 /nfs/dbraw/zinc/03/30/46/372033046.db2.gz AUMHSKSKEGMYQQ-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000157951137 372045428 /nfs/dbraw/zinc/04/54/28/372045428.db2.gz STOSRYHDQQOZDJ-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CC1 ZINC000423279268 372046185 /nfs/dbraw/zinc/04/61/85/372046185.db2.gz RAUHJHOBWGHZNN-HNNXBMFYSA-N 2 1 250.430 3.206 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423280460 372048325 /nfs/dbraw/zinc/04/83/25/372048325.db2.gz SPSLYENHZHABQY-HUUCEWRRSA-N 2 1 264.800 3.044 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000158251590 372062021 /nfs/dbraw/zinc/06/20/21/372062021.db2.gz SBEHNPJJNWGGKU-OALUTQOASA-N 2 1 288.479 3.494 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423369301 372056844 /nfs/dbraw/zinc/05/68/44/372056844.db2.gz OERDGSMJIXDIHS-ZANVPECISA-N 2 1 272.314 3.093 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccccc1Cl ZINC000159206648 372116772 /nfs/dbraw/zinc/11/67/72/372116772.db2.gz XQJWYSFTAGVWRH-UHFFFAOYSA-N 2 1 291.826 3.410 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccccc1Cl ZINC000159206648 372116776 /nfs/dbraw/zinc/11/67/76/372116776.db2.gz XQJWYSFTAGVWRH-UHFFFAOYSA-N 2 1 291.826 3.410 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2sccc21)C1CCCC1 ZINC000423508676 372069705 /nfs/dbraw/zinc/06/97/05/372069705.db2.gz IZQXHQGCTJSPGU-KGLIPLIRSA-N 2 1 264.438 3.233 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158660394 372079906 /nfs/dbraw/zinc/07/99/06/372079906.db2.gz XZPPIYDTOGDNIZ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158660394 372079911 /nfs/dbraw/zinc/07/99/11/372079911.db2.gz XZPPIYDTOGDNIZ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158660394 372079917 /nfs/dbraw/zinc/07/99/17/372079917.db2.gz XZPPIYDTOGDNIZ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158660394 372079919 /nfs/dbraw/zinc/07/99/19/372079919.db2.gz XZPPIYDTOGDNIZ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP COCCCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159038895 372102163 /nfs/dbraw/zinc/10/21/63/372102163.db2.gz OXPMAFFGEAECAR-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000162099281 372373205 /nfs/dbraw/zinc/37/32/05/372373205.db2.gz NTYMIZUZDLEYQN-BFYDXBDKSA-N 2 1 260.425 3.171 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000430754163 372396642 /nfs/dbraw/zinc/39/66/42/372396642.db2.gz MTZAGWVZCWIFTQ-WNRNVDISSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](CNCc2cccc(O)c2Cl)C1 ZINC000293542489 372406883 /nfs/dbraw/zinc/40/68/83/372406883.db2.gz KJHZXIPNJWJETL-CYBMUJFWSA-N 2 1 296.842 3.256 20 0 CGADMP C[C@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430939113 372408477 /nfs/dbraw/zinc/40/84/77/372408477.db2.gz FEJKRIODHGYDEK-MAUKXSAKSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000430956745 372410313 /nfs/dbraw/zinc/41/03/13/372410313.db2.gz PZFHRLDKPZKAQG-WMLDXEAASA-N 2 1 290.451 3.032 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163313030 372461829 /nfs/dbraw/zinc/46/18/29/372461829.db2.gz QNZDXYGMSZGIPD-ROUUACIJSA-N 2 1 287.451 3.047 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163313030 372461832 /nfs/dbraw/zinc/46/18/32/372461832.db2.gz QNZDXYGMSZGIPD-ROUUACIJSA-N 2 1 287.451 3.047 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163313030 372461834 /nfs/dbraw/zinc/46/18/34/372461834.db2.gz QNZDXYGMSZGIPD-ROUUACIJSA-N 2 1 287.451 3.047 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000163351565 372463636 /nfs/dbraw/zinc/46/36/36/372463636.db2.gz PDUBNJXEBXLTKV-NEPJUHHUSA-N 2 1 278.362 3.181 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000293750065 372467881 /nfs/dbraw/zinc/46/78/81/372467881.db2.gz QEJXWOIBJDHQHF-MOIQIXESSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163426354 372468498 /nfs/dbraw/zinc/46/84/98/372468498.db2.gz PEFDWVFSWCRNBI-DYEKYZERSA-N 2 1 266.816 3.318 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000163884816 372499230 /nfs/dbraw/zinc/49/92/30/372499230.db2.gz RSDNGLOXWKNXRT-VYDXJSESSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000163884816 372499242 /nfs/dbraw/zinc/49/92/42/372499242.db2.gz RSDNGLOXWKNXRT-VYDXJSESSA-N 2 1 274.452 3.425 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000344404510 217182910 /nfs/dbraw/zinc/18/29/10/217182910.db2.gz FCJVXGSTKTZJBD-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000344404510 217182912 /nfs/dbraw/zinc/18/29/12/217182912.db2.gz FCJVXGSTKTZJBD-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000164663698 372528108 /nfs/dbraw/zinc/52/81/08/372528108.db2.gz FBVJWVXZJYFYDR-ZIAGYGMSSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000164664523 372528206 /nfs/dbraw/zinc/52/82/06/372528206.db2.gz WCLMFBWMXDBZCN-QGZVFWFLSA-N 2 1 299.418 3.475 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000165300547 372548197 /nfs/dbraw/zinc/54/81/97/372548197.db2.gz GCMRXFZPGASMBV-QGZVFWFLSA-N 2 1 298.474 3.329 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000165322632 372548980 /nfs/dbraw/zinc/54/89/80/372548980.db2.gz SNVPPHCZDKFNCS-WMZOPIPTSA-N 2 1 298.430 3.495 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000165322632 372548985 /nfs/dbraw/zinc/54/89/85/372548985.db2.gz SNVPPHCZDKFNCS-WMZOPIPTSA-N 2 1 298.430 3.495 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(C)(C)CC2)CCCO1 ZINC000432367886 372567575 /nfs/dbraw/zinc/56/75/75/372567575.db2.gz NGIQFYGNGFQWNF-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(C)(C)CC2)CCCO1 ZINC000432367886 372567580 /nfs/dbraw/zinc/56/75/80/372567580.db2.gz NGIQFYGNGFQWNF-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cs1 ZINC000294124749 372588288 /nfs/dbraw/zinc/58/82/88/372588288.db2.gz DZQNHEDNMGAAQQ-ZDUSSCGKSA-N 2 1 254.443 3.437 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cs1 ZINC000294124749 372588290 /nfs/dbraw/zinc/58/82/90/372588290.db2.gz DZQNHEDNMGAAQQ-ZDUSSCGKSA-N 2 1 254.443 3.437 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435438637 372765467 /nfs/dbraw/zinc/76/54/67/372765467.db2.gz QWTLYKFPNAWWKD-IBGZPJMESA-N 2 1 295.430 3.323 20 0 CGADMP CC(C)OCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000171500693 372774203 /nfs/dbraw/zinc/77/42/03/372774203.db2.gz UZDFOYIUMMEODR-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1nccc2ccccc21 ZINC000353423021 220076406 /nfs/dbraw/zinc/07/64/06/220076406.db2.gz CKXWNJCFKVJCCJ-HUUCEWRRSA-N 2 1 295.430 3.370 20 0 CGADMP CC[C@@H]1C[N@@H+](CCC[NH2+]C)CC[C@@H]1c1ccccc1 ZINC000435885864 372825940 /nfs/dbraw/zinc/82/59/40/372825940.db2.gz OXWIFBBFVZUOFG-WBVHZDCISA-N 2 1 260.425 3.112 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344646941 217261130 /nfs/dbraw/zinc/26/11/30/217261130.db2.gz WDXXYDODHYMCAB-HOTGVXAUSA-N 2 1 277.456 3.107 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344646941 217261133 /nfs/dbraw/zinc/26/11/33/217261133.db2.gz WDXXYDODHYMCAB-HOTGVXAUSA-N 2 1 277.456 3.107 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000438095141 372874941 /nfs/dbraw/zinc/87/49/41/372874941.db2.gz OZLWGDRHJNPZLO-JHJVBQTASA-N 2 1 278.362 3.037 20 0 CGADMP Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC000295734924 372894198 /nfs/dbraw/zinc/89/41/98/372894198.db2.gz OLEHUYBFYIJDBD-MQVJKMGUSA-N 2 1 276.399 3.239 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000344769377 217304659 /nfs/dbraw/zinc/30/46/59/217304659.db2.gz KLHCNMKOYYAERW-WBVHZDCISA-N 2 1 275.440 3.072 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000172851224 373049163 /nfs/dbraw/zinc/04/91/63/373049163.db2.gz RSYABDRHAJTAMU-CHWSQXEVSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCc2c(F)cccc2Cl)CC[N@H+]1C ZINC000172851224 373049166 /nfs/dbraw/zinc/04/91/66/373049166.db2.gz RSYABDRHAJTAMU-CHWSQXEVSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCc2c(F)cccc2Cl)CC[NH+]1C ZINC000172851224 373049172 /nfs/dbraw/zinc/04/91/72/373049172.db2.gz RSYABDRHAJTAMU-CHWSQXEVSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2c(F)cccc2Cl)CC[NH+]1C ZINC000172851224 373049177 /nfs/dbraw/zinc/04/91/77/373049177.db2.gz RSYABDRHAJTAMU-CHWSQXEVSA-N 2 1 298.833 3.436 20 0 CGADMP CC(C)[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cn1 ZINC000353546028 220149134 /nfs/dbraw/zinc/14/91/34/220149134.db2.gz VBLUQBICUIOCSP-OAHLLOKOSA-N 2 1 281.419 3.095 20 0 CGADMP Cc1ccc(SCC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000442787074 373082347 /nfs/dbraw/zinc/08/23/47/373082347.db2.gz HELNFLPQGRYPEN-HUUCEWRRSA-N 2 1 278.465 3.065 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431900 373130449 /nfs/dbraw/zinc/13/04/49/373130449.db2.gz NGFNTXUVHRRWBG-KBPBESRZSA-N 2 1 296.405 3.390 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000353565302 220160672 /nfs/dbraw/zinc/16/06/72/220160672.db2.gz BDULEEITWMNHHU-SOLBZPMBSA-N 2 1 289.467 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000353565302 220160675 /nfs/dbraw/zinc/16/06/75/220160675.db2.gz BDULEEITWMNHHU-SOLBZPMBSA-N 2 1 289.467 3.426 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000442991898 373137379 /nfs/dbraw/zinc/13/73/79/373137379.db2.gz BGGGMHCUYJGOOF-UHFFFAOYSA-N 2 1 298.352 3.365 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(CCSc2ccccc2F)C1 ZINC000173893643 373212108 /nfs/dbraw/zinc/21/21/08/373212108.db2.gz UAACGCOUEYHSQI-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP COC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000173923488 373215869 /nfs/dbraw/zinc/21/58/69/373215869.db2.gz DWVPNXLAINNPFB-HOTGVXAUSA-N 2 1 290.451 3.043 20 0 CGADMP CC(C)[N@H+](CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000444570054 373202670 /nfs/dbraw/zinc/20/26/70/373202670.db2.gz GLVGVQOIFHCOFZ-UHFFFAOYSA-N 2 1 264.413 3.366 20 0 CGADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000444570054 373202676 /nfs/dbraw/zinc/20/26/76/373202676.db2.gz GLVGVQOIFHCOFZ-UHFFFAOYSA-N 2 1 264.413 3.366 20 0 CGADMP CCC[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCCO1 ZINC000444569216 373204121 /nfs/dbraw/zinc/20/41/21/373204121.db2.gz LTQHYKWOHAHVFB-KRWDZBQOSA-N 2 1 282.472 3.144 20 0 CGADMP CCc1ccccc1CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000444695710 373240105 /nfs/dbraw/zinc/24/01/05/373240105.db2.gz SXERFKCWXHCLGF-GOSISDBHSA-N 2 1 274.452 3.208 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cccc(Cl)c1 ZINC000298180426 373291069 /nfs/dbraw/zinc/29/10/69/373291069.db2.gz VMGVTEVTAMFKGK-UHFFFAOYSA-N 2 1 291.826 3.410 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cccc(Cl)c1 ZINC000298180426 373291082 /nfs/dbraw/zinc/29/10/82/373291082.db2.gz VMGVTEVTAMFKGK-UHFFFAOYSA-N 2 1 291.826 3.410 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC2(CCCC2)C1 ZINC000445873410 373315891 /nfs/dbraw/zinc/31/58/91/373315891.db2.gz FBCYBVZVKBBGMU-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000445873410 373315897 /nfs/dbraw/zinc/31/58/97/373315897.db2.gz FBCYBVZVKBBGMU-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC2(CCCC2)C1 ZINC000445873410 373315900 /nfs/dbraw/zinc/31/59/00/373315900.db2.gz FBCYBVZVKBBGMU-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP c1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000298545656 373352639 /nfs/dbraw/zinc/35/26/39/373352639.db2.gz UEEZLFDXKNVQMR-UHFFFAOYSA-N 2 1 284.447 3.325 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000300243212 373622191 /nfs/dbraw/zinc/62/21/91/373622191.db2.gz KHOLEXJBFRZWBU-GJZGRUSLSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000300243212 373622199 /nfs/dbraw/zinc/62/21/99/373622199.db2.gz KHOLEXJBFRZWBU-GJZGRUSLSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000300417260 373632041 /nfs/dbraw/zinc/63/20/41/373632041.db2.gz OBQQMWAJOXYYNZ-HZPDHXFCSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000300417260 373632051 /nfs/dbraw/zinc/63/20/51/373632051.db2.gz OBQQMWAJOXYYNZ-HZPDHXFCSA-N 2 1 278.827 3.365 20 0 CGADMP C[NH+](C)C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301178508 373685205 /nfs/dbraw/zinc/68/52/05/373685205.db2.gz GZMVALKVFUTZMW-UHFFFAOYSA-N 2 1 289.810 3.419 20 0 CGADMP Cc1cc(NC[C@H](C)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301245632 373708749 /nfs/dbraw/zinc/70/87/49/373708749.db2.gz KZUGUIIIDSEVFT-AWEZNQCLSA-N 2 1 284.407 3.026 20 0 CGADMP Cc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301245632 373708756 /nfs/dbraw/zinc/70/87/56/373708756.db2.gz KZUGUIIIDSEVFT-AWEZNQCLSA-N 2 1 284.407 3.026 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CCC2)c1 ZINC000178736826 373808524 /nfs/dbraw/zinc/80/85/24/373808524.db2.gz QQGZSAJTNFZQEY-AWEZNQCLSA-N 2 1 260.425 3.417 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178956220 373821473 /nfs/dbraw/zinc/82/14/73/373821473.db2.gz ADDGIXVXDNYDHZ-SFHVURJKSA-N 2 1 288.435 3.222 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000178631331 373800637 /nfs/dbraw/zinc/80/06/37/373800637.db2.gz LOQOMELBYPRJPX-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP Cc1cc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000302361286 373857174 /nfs/dbraw/zinc/85/71/74/373857174.db2.gz AJSOYPVUPKOBLD-QGZVFWFLSA-N 2 1 295.430 3.491 20 0 CGADMP CCC[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000449734654 373861256 /nfs/dbraw/zinc/86/12/56/373861256.db2.gz NPQWMVPOILCGMG-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+](CCc1ccccc1)Cc1cccc2nccn21 ZINC000179690182 373905819 /nfs/dbraw/zinc/90/58/19/373905819.db2.gz AOFFIWUODNAFKI-UHFFFAOYSA-N 2 1 279.387 3.399 20 0 CGADMP C1=C(C[NH+]2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000450270309 374031149 /nfs/dbraw/zinc/03/11/49/374031149.db2.gz MDRGJCWNYXOCIW-UHFFFAOYSA-N 2 1 262.441 3.437 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCCCO)CC1 ZINC000305072814 374064219 /nfs/dbraw/zinc/06/42/19/374064219.db2.gz MEZFAQMFMSYMCE-QGZVFWFLSA-N 2 1 296.499 3.126 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000181518968 374135680 /nfs/dbraw/zinc/13/56/80/374135680.db2.gz BQBWAZYXFNJTIV-LSDHHAIUSA-N 2 1 264.413 3.298 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000181518968 374135685 /nfs/dbraw/zinc/13/56/85/374135685.db2.gz BQBWAZYXFNJTIV-LSDHHAIUSA-N 2 1 264.413 3.298 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CC2=CCCCC2)CC1 ZINC000450466474 374147969 /nfs/dbraw/zinc/14/79/69/374147969.db2.gz IPZBGYZYQAALGC-UHFFFAOYSA-N 2 1 250.430 3.293 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000450595631 374163585 /nfs/dbraw/zinc/16/35/85/374163585.db2.gz FHKNWXHGDSWDSZ-LZWOXQAQSA-N 2 1 298.421 3.371 20 0 CGADMP FC1(F)CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000450595631 374163588 /nfs/dbraw/zinc/16/35/88/374163588.db2.gz FHKNWXHGDSWDSZ-LZWOXQAQSA-N 2 1 298.421 3.371 20 0 CGADMP FC1(F)CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000450595631 374163594 /nfs/dbraw/zinc/16/35/94/374163594.db2.gz FHKNWXHGDSWDSZ-LZWOXQAQSA-N 2 1 298.421 3.371 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCOCc1ccccc1 ZINC000308634909 374173286 /nfs/dbraw/zinc/17/32/86/374173286.db2.gz MAUVVLCQGANMSF-UHFFFAOYSA-N 2 1 290.451 3.057 20 0 CGADMP Cc1[nH+]ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000311062522 374231601 /nfs/dbraw/zinc/23/16/01/374231601.db2.gz SSSNTLGCTVORRJ-NWDGAFQWSA-N 2 1 265.788 3.082 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182051412 374211574 /nfs/dbraw/zinc/21/15/74/374211574.db2.gz FXRSCOVZSRXVCV-CVEARBPZSA-N 2 1 285.435 3.296 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452052114 374217059 /nfs/dbraw/zinc/21/70/59/374217059.db2.gz LYCAOMWHFFVIFQ-XMTFNYHQSA-N 2 1 287.451 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452052114 374217070 /nfs/dbraw/zinc/21/70/70/374217070.db2.gz LYCAOMWHFFVIFQ-XMTFNYHQSA-N 2 1 287.451 3.340 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000310898476 374227343 /nfs/dbraw/zinc/22/73/43/374227343.db2.gz BEQVAPSKGWDNDW-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(C(C)C)n1 ZINC000311665486 374251251 /nfs/dbraw/zinc/25/12/51/374251251.db2.gz GXLXOLZDYJEBIE-ZDUSSCGKSA-N 2 1 264.417 3.049 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc12 ZINC000317465417 374340553 /nfs/dbraw/zinc/34/05/53/374340553.db2.gz WJUFNXPLCZYGTB-ZBFHGGJFSA-N 2 1 298.430 3.421 20 0 CGADMP COC1(C[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CCCCC1 ZINC000319697747 374347972 /nfs/dbraw/zinc/34/79/72/374347972.db2.gz ROWRWRLKWILPGE-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183192453 374384644 /nfs/dbraw/zinc/38/46/44/374384644.db2.gz CPORKUXKBBVSLK-RRFJBIMHSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCc3ccccc32)CC[N@H+]1C ZINC000183432419 374414619 /nfs/dbraw/zinc/41/46/19/374414619.db2.gz PZBYWDHUXBXNDG-SUMDDJOVSA-N 2 1 286.463 3.353 20 0 CGADMP CCC[C@@H](C)[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453349662 374440258 /nfs/dbraw/zinc/44/02/58/374440258.db2.gz LUQJXZNUHLFYPL-MOTUXRJWSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000453404146 374475395 /nfs/dbraw/zinc/47/53/95/374475395.db2.gz PAMFONXAIYCQGS-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cnc(C(C)(C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000183975337 374478005 /nfs/dbraw/zinc/47/80/05/374478005.db2.gz QBQQPZOJLFKVKX-UHFFFAOYSA-N 2 1 292.452 3.262 20 0 CGADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccoc1 ZINC000183952848 374478343 /nfs/dbraw/zinc/47/83/43/374478343.db2.gz RFCDWLPPPKBEEP-ZDUSSCGKSA-N 2 1 250.386 3.052 20 0 CGADMP CC(C)COC[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccco1 ZINC000184154120 374499139 /nfs/dbraw/zinc/49/91/39/374499139.db2.gz QHEJXQBBCOLYLE-CVEARBPZSA-N 2 1 294.439 3.067 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c2ccccc2n1 ZINC000092346014 541973944 /nfs/dbraw/zinc/97/39/44/541973944.db2.gz FTDYTSFVZCRKSW-ACJLOTCBSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c2ccccc2n1 ZINC000092346014 541973951 /nfs/dbraw/zinc/97/39/51/541973951.db2.gz FTDYTSFVZCRKSW-ACJLOTCBSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[NH+]1CCCCCC1 ZINC000333546011 374605387 /nfs/dbraw/zinc/60/53/87/374605387.db2.gz IQFFVTPAIMPALK-ZDUSSCGKSA-N 2 1 292.427 3.125 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000185358379 374645560 /nfs/dbraw/zinc/64/55/60/374645560.db2.gz JGSGDZTWRRGXJM-IUODEOHRSA-N 2 1 282.378 3.444 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180878 374654221 /nfs/dbraw/zinc/65/42/21/374654221.db2.gz FLUIOYKCXSFDGV-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180878 374654225 /nfs/dbraw/zinc/65/42/25/374654225.db2.gz FLUIOYKCXSFDGV-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180878 374654229 /nfs/dbraw/zinc/65/42/29/374654229.db2.gz FLUIOYKCXSFDGV-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP Cc1[nH+]ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000334256953 374662896 /nfs/dbraw/zinc/66/28/96/374662896.db2.gz MQIGWWJBZNADQQ-LLVKDONJSA-N 2 1 276.771 3.151 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(C)s1 ZINC000334432191 374744954 /nfs/dbraw/zinc/74/49/54/374744954.db2.gz WRXPIBRYYYHLOW-NHYWBVRUSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)s1 ZINC000334432191 374744962 /nfs/dbraw/zinc/74/49/62/374744962.db2.gz WRXPIBRYYYHLOW-NHYWBVRUSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(C)s1 ZINC000334432191 374744987 /nfs/dbraw/zinc/74/49/87/374744987.db2.gz WRXPIBRYYYHLOW-NHYWBVRUSA-N 2 1 266.454 3.137 20 0 CGADMP C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687166 374715465 /nfs/dbraw/zinc/71/54/65/374715465.db2.gz XTYRGLQPXJELKS-SJLPKXTDSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706274 374719185 /nfs/dbraw/zinc/71/91/85/374719185.db2.gz PREFDRQUSZLXGY-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1sccc1OC ZINC000186073017 374794404 /nfs/dbraw/zinc/79/44/04/374794404.db2.gz JNRKETFWKWVOTJ-LBPRGKRZSA-N 2 1 270.442 3.139 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000186187206 374810973 /nfs/dbraw/zinc/81/09/73/374810973.db2.gz OZRCJDGEUUYADB-AVGNSLFASA-N 2 1 282.453 3.280 20 0 CGADMP C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000186497325 374863973 /nfs/dbraw/zinc/86/39/73/374863973.db2.gz OMLVXDRTOVBBHV-ROHVMALMSA-N 2 1 299.418 3.158 20 0 CGADMP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000465050743 374929651 /nfs/dbraw/zinc/92/96/51/374929651.db2.gz MPWAQUHWKYVFNG-OAHLLOKOSA-N 2 1 283.419 3.047 20 0 CGADMP C(=C/C[N@H+]1CCCC2(CC2)C1)\C[NH+]1CCCC2(CC2)C1 ZINC000186986435 374952061 /nfs/dbraw/zinc/95/20/61/374952061.db2.gz LLHOQNDDLPBNKN-OWOJBTEDSA-N 2 1 274.452 3.295 20 0 CGADMP Cc1ccc(C(C)(C)C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000469987018 374993965 /nfs/dbraw/zinc/99/39/65/374993965.db2.gz JBGNGJGQBVDEPI-INIZCTEOSA-N 2 1 274.452 3.204 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000334735517 375017166 /nfs/dbraw/zinc/01/71/66/375017166.db2.gz QAHWIFQRTOCVDY-DGCLKSJQSA-N 2 1 289.810 3.057 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000472593156 375026757 /nfs/dbraw/zinc/02/67/57/375026757.db2.gz ZULQWWQYWAZTOG-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2cccc(F)c2)C1 ZINC000472662830 375029948 /nfs/dbraw/zinc/02/99/48/375029948.db2.gz ZLENJKVFILADDW-FUHWJXTLSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000472662830 375029955 /nfs/dbraw/zinc/02/99/55/375029955.db2.gz ZLENJKVFILADDW-FUHWJXTLSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000472662830 375029963 /nfs/dbraw/zinc/02/99/63/375029963.db2.gz ZLENJKVFILADDW-FUHWJXTLSA-N 2 1 290.426 3.489 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3Cc4ccccc4C3)CC[NH2+]2)cc1 ZINC000335041665 375088670 /nfs/dbraw/zinc/08/86/70/375088670.db2.gz RBTXEVHTBWEXCH-AZUAARDMSA-N 2 1 292.426 3.237 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000474269274 375093241 /nfs/dbraw/zinc/09/32/41/375093241.db2.gz KJADSJMIEKPDFD-CQSZACIVSA-N 2 1 278.415 3.162 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000474269274 375093244 /nfs/dbraw/zinc/09/32/44/375093244.db2.gz KJADSJMIEKPDFD-CQSZACIVSA-N 2 1 278.415 3.162 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000474269274 375093249 /nfs/dbraw/zinc/09/32/49/375093249.db2.gz KJADSJMIEKPDFD-CQSZACIVSA-N 2 1 278.415 3.162 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000474269274 375093252 /nfs/dbraw/zinc/09/32/52/375093252.db2.gz KJADSJMIEKPDFD-CQSZACIVSA-N 2 1 278.415 3.162 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)[C@@H](C)C1 ZINC000477867541 375146298 /nfs/dbraw/zinc/14/62/98/375146298.db2.gz UDOREAPJZGWSDR-BBWFWOEESA-N 2 1 294.483 3.188 20 0 CGADMP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000474477354 375114330 /nfs/dbraw/zinc/11/43/30/375114330.db2.gz MJJRUXNSCFSYTF-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000484478740 375188943 /nfs/dbraw/zinc/18/89/43/375188943.db2.gz FFLUJFITNCATLX-AAVRWANBSA-N 2 1 292.389 3.427 20 0 CGADMP FC(F)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000335851953 375483397 /nfs/dbraw/zinc/48/33/97/375483397.db2.gz COOSGFCBFPQEDY-NWINJMCUSA-N 2 1 272.383 3.027 20 0 CGADMP FC(F)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000335851953 375483403 /nfs/dbraw/zinc/48/34/03/375483403.db2.gz COOSGFCBFPQEDY-NWINJMCUSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000494927189 375496237 /nfs/dbraw/zinc/49/62/37/375496237.db2.gz YWNTUSFPINDTNZ-BPKGMFCQSA-N 2 1 266.473 3.379 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000191051672 375567009 /nfs/dbraw/zinc/56/70/09/375567009.db2.gz GUHMRTDHOIQNDB-BBWFWOEESA-N 2 1 264.457 3.252 20 0 CGADMP Nc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000107788614 542000317 /nfs/dbraw/zinc/00/03/17/542000317.db2.gz LLOKEPBJNIFHRW-UHFFFAOYSA-N 2 1 295.430 3.023 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000507367277 375698238 /nfs/dbraw/zinc/69/82/38/375698238.db2.gz KQNSRSYBGWCMBI-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000507367277 375698243 /nfs/dbraw/zinc/69/82/43/375698243.db2.gz KQNSRSYBGWCMBI-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000507367277 375698251 /nfs/dbraw/zinc/69/82/51/375698251.db2.gz KQNSRSYBGWCMBI-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000507489029 375707384 /nfs/dbraw/zinc/70/73/84/375707384.db2.gz VXXVDXAXNBVGNK-CVEARBPZSA-N 2 1 289.467 3.415 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000507489029 375707386 /nfs/dbraw/zinc/70/73/86/375707386.db2.gz VXXVDXAXNBVGNK-CVEARBPZSA-N 2 1 289.467 3.415 20 0 CGADMP C[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000124402727 542032764 /nfs/dbraw/zinc/03/27/64/542032764.db2.gz KBFBPEDMKHFDMD-INIZCTEOSA-N 2 1 288.435 3.146 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713713 375759581 /nfs/dbraw/zinc/75/95/81/375759581.db2.gz ABBTUOUPAYFYNJ-XYVMCAHJSA-N 2 1 272.436 3.143 20 0 CGADMP Cc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000192954196 375808684 /nfs/dbraw/zinc/80/86/84/375808684.db2.gz SUAKXOWULVHEKK-KRWDZBQOSA-N 2 1 281.403 3.324 20 0 CGADMP Clc1csc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000193013064 375814977 /nfs/dbraw/zinc/81/49/77/375814977.db2.gz RINBJBZJEQKRLU-UHFFFAOYSA-N 2 1 284.856 3.366 20 0 CGADMP C[C@@H](C[NH2+]CC1([NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC000525875232 375889527 /nfs/dbraw/zinc/88/95/27/375889527.db2.gz QECWYCCAHRXBLF-AWEZNQCLSA-N 2 1 278.415 3.393 20 0 CGADMP CCCNc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000193360895 375866643 /nfs/dbraw/zinc/86/66/43/375866643.db2.gz SZNFJSRWXXLLMB-ZWKOTPCHSA-N 2 1 287.451 3.225 20 0 CGADMP C[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336716905 375919030 /nfs/dbraw/zinc/91/90/30/375919030.db2.gz QDOYZPYCXDCJEE-WMLDXEAASA-N 2 1 258.409 3.039 20 0 CGADMP C[C@H](CC[N@@H+](C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000193879980 375934403 /nfs/dbraw/zinc/93/44/03/375934403.db2.gz MIJTUUWMVYSQLM-MRXNPFEDSA-N 2 1 274.452 3.454 20 0 CGADMP CCCc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000336841801 376002049 /nfs/dbraw/zinc/00/20/49/376002049.db2.gz SMGDLDVGVPPENK-AWEZNQCLSA-N 2 1 271.408 3.495 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000535795455 376062036 /nfs/dbraw/zinc/06/20/36/376062036.db2.gz DUFAIIREGFIDLL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000535795455 376062039 /nfs/dbraw/zinc/06/20/39/376062039.db2.gz DUFAIIREGFIDLL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000535795455 376062044 /nfs/dbraw/zinc/06/20/44/376062044.db2.gz DUFAIIREGFIDLL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000536885460 376141943 /nfs/dbraw/zinc/14/19/43/376141943.db2.gz LCRRTLRNJQADAB-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)CSCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337229370 376152349 /nfs/dbraw/zinc/15/23/49/376152349.db2.gz RTZLNPMCLGDYBU-UHFFFAOYSA-N 2 1 272.502 3.183 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615202 376181289 /nfs/dbraw/zinc/18/12/89/376181289.db2.gz NULWHCXSANCKBA-GXTWGEPZSA-N 2 1 293.480 3.325 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000536696063 376123060 /nfs/dbraw/zinc/12/30/60/376123060.db2.gz QKUYCLSWGIVDRR-SXLOBPIMSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000536696063 376123067 /nfs/dbraw/zinc/12/30/67/376123067.db2.gz QKUYCLSWGIVDRR-SXLOBPIMSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000536696063 376123072 /nfs/dbraw/zinc/12/30/72/376123072.db2.gz QKUYCLSWGIVDRR-SXLOBPIMSA-N 2 1 298.474 3.454 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCSc2ccccc2)[C@@H](C)C1 ZINC000537971749 376213606 /nfs/dbraw/zinc/21/36/06/376213606.db2.gz FPLDPRMPPHSQTB-DOTOQJQBSA-N 2 1 292.492 3.489 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221275851 376214098 /nfs/dbraw/zinc/21/40/98/376214098.db2.gz CYNLIKOOZBVVOI-WFASDCNBSA-N 2 1 266.816 3.332 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221275851 376214105 /nfs/dbraw/zinc/21/41/05/376214105.db2.gz CYNLIKOOZBVVOI-WFASDCNBSA-N 2 1 266.816 3.332 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC34CCC4)CC2)[nH+]1 ZINC000337393991 376218477 /nfs/dbraw/zinc/21/84/77/376218477.db2.gz MLOVKUQQOQREAR-INIZCTEOSA-N 2 1 285.435 3.281 20 0 CGADMP COc1ccccc1[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000221915260 376223335 /nfs/dbraw/zinc/22/33/35/376223335.db2.gz YJXNTBOGKHGYJH-AWEZNQCLSA-N 2 1 264.413 3.076 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221915260 376223345 /nfs/dbraw/zinc/22/33/45/376223345.db2.gz YJXNTBOGKHGYJH-AWEZNQCLSA-N 2 1 264.413 3.076 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221915260 376223351 /nfs/dbraw/zinc/22/33/51/376223351.db2.gz YJXNTBOGKHGYJH-AWEZNQCLSA-N 2 1 264.413 3.076 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccc1OC ZINC000221926032 376226008 /nfs/dbraw/zinc/22/60/08/376226008.db2.gz XEJPWEOJYJLOCT-INIZCTEOSA-N 2 1 278.440 3.466 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1OC ZINC000221926032 376226011 /nfs/dbraw/zinc/22/60/11/376226011.db2.gz XEJPWEOJYJLOCT-INIZCTEOSA-N 2 1 278.440 3.466 20 0 CGADMP CCC[C@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000538304403 376232243 /nfs/dbraw/zinc/23/22/43/376232243.db2.gz HSKTUQVKQCPMHN-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCCC1 ZINC000538408904 376239890 /nfs/dbraw/zinc/23/98/90/376239890.db2.gz XHQVZJHOUKEVLE-INIZCTEOSA-N 2 1 250.430 3.197 20 0 CGADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337998526 376252357 /nfs/dbraw/zinc/25/23/57/376252357.db2.gz NVAPBMKLCFLBLG-VGWMRTNUSA-N 2 1 268.420 3.121 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccnc3ccccc23)CC[N@@H+]1C ZINC000538720100 376257374 /nfs/dbraw/zinc/25/73/74/376257374.db2.gz GTEHPRDKTGALML-GOEBONIOSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccnc3ccccc23)CC[N@H+]1C ZINC000538720100 376257381 /nfs/dbraw/zinc/25/73/81/376257381.db2.gz GTEHPRDKTGALML-GOEBONIOSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccnc3ccccc23)CC[NH+]1C ZINC000538720100 376257387 /nfs/dbraw/zinc/25/73/87/376257387.db2.gz GTEHPRDKTGALML-GOEBONIOSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc3ccccc23)CC[NH+]1C ZINC000538720100 376257389 /nfs/dbraw/zinc/25/73/89/376257389.db2.gz GTEHPRDKTGALML-GOEBONIOSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226330989 376353368 /nfs/dbraw/zinc/35/33/68/376353368.db2.gz HUYFFULLRLBEAO-OBJOEFQTSA-N 2 1 298.377 3.408 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000539851608 376341934 /nfs/dbraw/zinc/34/19/34/376341934.db2.gz VVUYHTZQIBTNNX-IBGZPJMESA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539851608 376341938 /nfs/dbraw/zinc/34/19/38/376341938.db2.gz VVUYHTZQIBTNNX-IBGZPJMESA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539851608 376341943 /nfs/dbraw/zinc/34/19/43/376341943.db2.gz VVUYHTZQIBTNNX-IBGZPJMESA-N 2 1 286.463 3.467 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000226313328 376349823 /nfs/dbraw/zinc/34/98/23/376349823.db2.gz LOBAZJBQWUIUSK-HNNXBMFYSA-N 2 1 290.451 3.466 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000224995825 376291307 /nfs/dbraw/zinc/29/13/07/376291307.db2.gz MZSKRTNPBCLFFI-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000539294680 376301501 /nfs/dbraw/zinc/30/15/01/376301501.db2.gz LXTBSZYEJFBBBL-MNEFBYGVSA-N 2 1 286.463 3.210 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1(C)C ZINC000540596673 376384618 /nfs/dbraw/zinc/38/46/18/376384618.db2.gz WCPABZBDAHCTTI-LTIDMASMSA-N 2 1 294.483 3.187 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1(C)C ZINC000540596673 376384624 /nfs/dbraw/zinc/38/46/24/376384624.db2.gz WCPABZBDAHCTTI-LTIDMASMSA-N 2 1 294.483 3.187 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC000228535362 376440879 /nfs/dbraw/zinc/44/08/79/376440879.db2.gz AKRZLXYDSFENEK-RRFJBIMHSA-N 2 1 280.362 3.183 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229060668 376457650 /nfs/dbraw/zinc/45/76/50/376457650.db2.gz PEFDWVFSWCRNBI-BZPMIXESSA-N 2 1 266.816 3.318 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCCCC1 ZINC000541564438 376459560 /nfs/dbraw/zinc/45/95/60/376459560.db2.gz PRTDFFKITYJOTB-CQSZACIVSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338689133 376481994 /nfs/dbraw/zinc/48/19/94/376481994.db2.gz RILJVDPSHXOIFG-DZRGKWQISA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230408924 376515535 /nfs/dbraw/zinc/51/55/35/376515535.db2.gz UWEFXGUTBJLKLR-ZJUUUORDSA-N 2 1 260.834 3.392 20 0 CGADMP Cc1ccc(CCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000542277509 376528375 /nfs/dbraw/zinc/52/83/75/376528375.db2.gz SSAOLCYUTQALAN-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccc(CCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000542277509 376528386 /nfs/dbraw/zinc/52/83/86/376528386.db2.gz SSAOLCYUTQALAN-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccc(CCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000542277509 376528394 /nfs/dbraw/zinc/52/83/94/376528394.db2.gz SSAOLCYUTQALAN-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670828 376568158 /nfs/dbraw/zinc/56/81/58/376568158.db2.gz NTDCAIDNNCQKSZ-WMLDXEAASA-N 2 1 276.424 3.361 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670828 376568164 /nfs/dbraw/zinc/56/81/64/376568164.db2.gz NTDCAIDNNCQKSZ-WMLDXEAASA-N 2 1 276.424 3.361 20 0 CGADMP Cc1ccc(OCCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000234290800 376614854 /nfs/dbraw/zinc/61/48/54/376614854.db2.gz GSKXIHUPXSIDEX-QGZVFWFLSA-N 2 1 290.451 3.146 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000235293450 376636919 /nfs/dbraw/zinc/63/69/19/376636919.db2.gz MMQWTSCDVQSNJP-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000235293450 376636926 /nfs/dbraw/zinc/63/69/26/376636926.db2.gz MMQWTSCDVQSNJP-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000339071127 376660301 /nfs/dbraw/zinc/66/03/01/376660301.db2.gz QRZDNOQANOXBHI-NUEKZKHPSA-N 2 1 276.424 3.126 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000545160731 376788775 /nfs/dbraw/zinc/78/87/75/376788775.db2.gz AFSBPDOMCPAXOS-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC)c(F)c2)CC1 ZINC000152743597 542108990 /nfs/dbraw/zinc/10/89/90/542108990.db2.gz DZFQWYDUSQDLRS-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000157705160 542137666 /nfs/dbraw/zinc/13/76/66/542137666.db2.gz WYUAWVNYYMYRKA-LVQVYYBASA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000157705160 542137670 /nfs/dbraw/zinc/13/76/70/542137670.db2.gz WYUAWVNYYMYRKA-LVQVYYBASA-N 2 1 252.446 3.418 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CC)C1 ZINC000245779646 376904922 /nfs/dbraw/zinc/90/49/22/376904922.db2.gz YPVCMIRXCBYSEX-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccco2)C1 ZINC000245556298 376854381 /nfs/dbraw/zinc/85/43/81/376854381.db2.gz IZYJMWFDMCZMJP-CVEARBPZSA-N 2 1 276.424 3.366 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245579362 376860037 /nfs/dbraw/zinc/86/00/37/376860037.db2.gz GJZNPAYWZIRZRA-CXHZTBPHSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245579362 376860045 /nfs/dbraw/zinc/86/00/45/376860045.db2.gz GJZNPAYWZIRZRA-CXHZTBPHSA-N 2 1 272.436 3.382 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC000245893263 376927598 /nfs/dbraw/zinc/92/75/98/376927598.db2.gz CNIZEQDVQGCQMD-YOEHRIQHSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC000245893263 376927601 /nfs/dbraw/zinc/92/76/01/376927601.db2.gz CNIZEQDVQGCQMD-YOEHRIQHSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC000245893263 376927605 /nfs/dbraw/zinc/92/76/05/376927605.db2.gz CNIZEQDVQGCQMD-YOEHRIQHSA-N 2 1 278.415 3.296 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccs1 ZINC000246124832 376971213 /nfs/dbraw/zinc/97/12/13/376971213.db2.gz WFMDPNHQWRLGKT-ZBFHGGJFSA-N 2 1 289.448 3.249 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccs1 ZINC000246124832 376971222 /nfs/dbraw/zinc/97/12/22/376971222.db2.gz WFMDPNHQWRLGKT-ZBFHGGJFSA-N 2 1 289.448 3.249 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246877724 377109295 /nfs/dbraw/zinc/10/92/95/377109295.db2.gz CXLUKXDXSWNJCD-FZKCQIBNSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246877724 377109299 /nfs/dbraw/zinc/10/92/99/377109299.db2.gz CXLUKXDXSWNJCD-FZKCQIBNSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2csc(C(C)C)n2)[C@@H](C)C1 ZINC000246901790 377114664 /nfs/dbraw/zinc/11/46/64/377114664.db2.gz FJTZCECENPLZLH-DZGCQCFKSA-N 2 1 295.496 3.129 20 0 CGADMP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000340468122 377078055 /nfs/dbraw/zinc/07/80/55/377078055.db2.gz QPDLKBDZUVPDSK-OAHLLOKOSA-N 2 1 292.467 3.430 20 0 CGADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246820500 377096463 /nfs/dbraw/zinc/09/64/63/377096463.db2.gz AOMKSEAUDMVMCK-QBPKDAKJSA-N 2 1 290.451 3.081 20 0 CGADMP C[N@H+]1CC[C@H](NCc2c(F)cc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000340492947 377100033 /nfs/dbraw/zinc/10/00/33/377100033.db2.gz XILACDVQHZWQRQ-KNXALSJPSA-N 2 1 298.352 3.066 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246870318 377107539 /nfs/dbraw/zinc/10/75/39/377107539.db2.gz COGSYQCGEFQBHU-OFQRWUPVSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246870318 377107550 /nfs/dbraw/zinc/10/75/50/377107550.db2.gz COGSYQCGEFQBHU-OFQRWUPVSA-N 2 1 276.424 3.219 20 0 CGADMP COC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000247375612 377198863 /nfs/dbraw/zinc/19/88/63/377198863.db2.gz DWVPNXLAINNPFB-HZPDHXFCSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000246984928 377131193 /nfs/dbraw/zinc/13/11/93/377131193.db2.gz JXUFPWPCDYNUOD-CABCVRRESA-N 2 1 292.471 3.034 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(C(C)C)C(C)C)C1 ZINC000560260324 377135068 /nfs/dbraw/zinc/13/50/68/377135068.db2.gz RBHYBDPUQDTASJ-HNNXBMFYSA-N 2 1 254.462 3.188 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC(C(C)C)C(C)C)C1 ZINC000560260324 377135071 /nfs/dbraw/zinc/13/50/71/377135071.db2.gz RBHYBDPUQDTASJ-HNNXBMFYSA-N 2 1 254.462 3.188 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC000560260324 377135077 /nfs/dbraw/zinc/13/50/77/377135077.db2.gz RBHYBDPUQDTASJ-HNNXBMFYSA-N 2 1 254.462 3.188 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000560525554 377164477 /nfs/dbraw/zinc/16/44/77/377164477.db2.gz QGYMTZBUKXGZIB-KSZLIROESA-N 2 1 272.436 3.211 20 0 CGADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000340599742 377166826 /nfs/dbraw/zinc/16/68/26/377166826.db2.gz HCWMAFBOZDRJLO-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000340599742 377166829 /nfs/dbraw/zinc/16/68/29/377166829.db2.gz HCWMAFBOZDRJLO-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC000247247379 377182795 /nfs/dbraw/zinc/18/27/95/377182795.db2.gz ZHTYDJLQDHECCX-DOTOQJQBSA-N 2 1 260.425 3.459 20 0 CGADMP CSCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247525511 377219849 /nfs/dbraw/zinc/21/98/49/377219849.db2.gz NTGPHWRKJCNUPR-HOTGVXAUSA-N 2 1 284.513 3.326 20 0 CGADMP CSCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247525511 377219862 /nfs/dbraw/zinc/21/98/62/377219862.db2.gz NTGPHWRKJCNUPR-HOTGVXAUSA-N 2 1 284.513 3.326 20 0 CGADMP CSCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247525511 377219876 /nfs/dbraw/zinc/21/98/76/377219876.db2.gz NTGPHWRKJCNUPR-HOTGVXAUSA-N 2 1 284.513 3.326 20 0 CGADMP C[C@H](c1ccc(F)cc1F)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247991446 377252721 /nfs/dbraw/zinc/25/27/21/377252721.db2.gz JLWFOBCYEHOGFF-IGCXYCKISA-N 2 1 294.389 3.442 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000248054442 377264334 /nfs/dbraw/zinc/26/43/34/377264334.db2.gz WZSKDGWMBUQAFN-GXTWGEPZSA-N 2 1 298.377 3.108 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000248054442 377264340 /nfs/dbraw/zinc/26/43/40/377264340.db2.gz WZSKDGWMBUQAFN-GXTWGEPZSA-N 2 1 298.377 3.108 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C)c1 ZINC000340669711 377203157 /nfs/dbraw/zinc/20/31/57/377203157.db2.gz OETAWWKZWKWUKY-UHFFFAOYSA-N 2 1 260.425 3.303 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000248449807 377321944 /nfs/dbraw/zinc/32/19/44/377321944.db2.gz FGAFGBZLGGSOHZ-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000562585641 377335517 /nfs/dbraw/zinc/33/55/17/377335517.db2.gz XNDBXLVZHPENRH-OAHLLOKOSA-N 2 1 271.408 3.063 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000562585641 377335519 /nfs/dbraw/zinc/33/55/19/377335519.db2.gz XNDBXLVZHPENRH-OAHLLOKOSA-N 2 1 271.408 3.063 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC000248169042 377274463 /nfs/dbraw/zinc/27/44/63/377274463.db2.gz UJLXEZZMFJVJIT-FHLIZLRMSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)CC[N@H+]1C ZINC000248169042 377274466 /nfs/dbraw/zinc/27/44/66/377274466.db2.gz UJLXEZZMFJVJIT-FHLIZLRMSA-N 2 1 272.436 3.080 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000562211848 377283380 /nfs/dbraw/zinc/28/33/80/377283380.db2.gz IAWUZHULCKGMOF-HNNXBMFYSA-N 2 1 274.452 3.111 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000562211848 377283390 /nfs/dbraw/zinc/28/33/90/377283390.db2.gz IAWUZHULCKGMOF-HNNXBMFYSA-N 2 1 274.452 3.111 20 0 CGADMP CC(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391968 377303341 /nfs/dbraw/zinc/30/33/41/377303341.db2.gz CPORKUXKBBVSLK-KKUMJFAQSA-N 2 1 252.446 3.274 20 0 CGADMP CCCC[C@H](COC)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402113 377308639 /nfs/dbraw/zinc/30/86/39/377308639.db2.gz MSMDXHSXOVDRHZ-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248570282 377352115 /nfs/dbraw/zinc/35/21/15/377352115.db2.gz LWEZGHLDOACVOW-AEFFLSMTSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248570282 377352120 /nfs/dbraw/zinc/35/21/20/377352120.db2.gz LWEZGHLDOACVOW-AEFFLSMTSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248570282 377352127 /nfs/dbraw/zinc/35/21/27/377352127.db2.gz LWEZGHLDOACVOW-AEFFLSMTSA-N 2 1 274.452 3.139 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000563351286 377446016 /nfs/dbraw/zinc/44/60/16/377446016.db2.gz YHDCJFKEGANYFM-INIZCTEOSA-N 2 1 289.810 3.453 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000563351286 377446020 /nfs/dbraw/zinc/44/60/20/377446020.db2.gz YHDCJFKEGANYFM-INIZCTEOSA-N 2 1 289.810 3.453 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000248824664 377406939 /nfs/dbraw/zinc/40/69/39/377406939.db2.gz FWVGSHWVLZUORN-SLUKUZTOSA-N 2 1 294.483 3.185 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000563136152 377408516 /nfs/dbraw/zinc/40/85/16/377408516.db2.gz BMCHLLJPYUGOSV-SJLPKXTDSA-N 2 1 272.436 3.256 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094826317 249042456 /nfs/dbraw/zinc/04/24/56/249042456.db2.gz CTMKJNAGIBXJNA-LBPRGKRZSA-N 2 1 282.378 3.490 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166846892 542174751 /nfs/dbraw/zinc/17/47/51/542174751.db2.gz XWNTXYBIFSTMOD-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(CC)CC ZINC000166785957 542175115 /nfs/dbraw/zinc/17/51/15/542175115.db2.gz LXOBKOKATWNBSU-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250870719 377567337 /nfs/dbraw/zinc/56/73/37/377567337.db2.gz YVMWLOWSJUGABT-KKUMJFAQSA-N 2 1 288.460 3.092 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251422869 377582859 /nfs/dbraw/zinc/58/28/59/377582859.db2.gz QFEOKHVJPQNRCM-JYJNAYRXSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)Oc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000516173999 249227496 /nfs/dbraw/zinc/22/74/96/249227496.db2.gz WFFXOWGYMBSPLC-LSVZVQIISA-N 2 1 288.435 3.407 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000516337319 249231885 /nfs/dbraw/zinc/23/18/85/249231885.db2.gz GECNBHORGPVKAW-UMVBOHGHSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@H](Cc1ccsc1)[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000516337319 249231887 /nfs/dbraw/zinc/23/18/87/249231887.db2.gz GECNBHORGPVKAW-UMVBOHGHSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516337319 249231889 /nfs/dbraw/zinc/23/18/89/249231889.db2.gz GECNBHORGPVKAW-UMVBOHGHSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516337319 249231891 /nfs/dbraw/zinc/23/18/91/249231891.db2.gz GECNBHORGPVKAW-UMVBOHGHSA-N 2 1 266.454 3.094 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000517978459 249274710 /nfs/dbraw/zinc/27/47/10/249274710.db2.gz ZGGNUWUQNSWYHC-SZMVWBNQSA-N 2 1 290.426 3.221 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000517978457 249274876 /nfs/dbraw/zinc/27/48/76/249274876.db2.gz ZGGNUWUQNSWYHC-RYQLBKOJSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000251773579 377597932 /nfs/dbraw/zinc/59/79/32/377597932.db2.gz KVEACMOBCXWVTB-XQXHGXSKSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000251773579 377597938 /nfs/dbraw/zinc/59/79/38/377597938.db2.gz KVEACMOBCXWVTB-XQXHGXSKSA-N 2 1 264.457 3.416 20 0 CGADMP c1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000180344579 542208823 /nfs/dbraw/zinc/20/88/23/542208823.db2.gz OAPUJKCBBIWAJL-IAGOWNOFSA-N 2 1 270.420 3.282 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCOC3(CCC3)C2)([NH+](C)C)C1 ZINC000251852438 377600120 /nfs/dbraw/zinc/60/01/20/377600120.db2.gz PCRSUIGSAZZUOA-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252204279 377617371 /nfs/dbraw/zinc/61/73/71/377617371.db2.gz WWEUPEDQQQTLRD-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000252107633 377615107 /nfs/dbraw/zinc/61/51/07/377615107.db2.gz JDDRCMQVPAMKKD-HJQPHTCJSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000252107633 377615112 /nfs/dbraw/zinc/61/51/12/377615112.db2.gz JDDRCMQVPAMKKD-HJQPHTCJSA-N 2 1 264.457 3.416 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000574235941 377636816 /nfs/dbraw/zinc/63/68/16/377636816.db2.gz PFHJASKONNSTGF-CABCVRRESA-N 2 1 266.429 3.311 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000574235941 377636820 /nfs/dbraw/zinc/63/68/20/377636820.db2.gz PFHJASKONNSTGF-CABCVRRESA-N 2 1 266.429 3.311 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252668583 377647542 /nfs/dbraw/zinc/64/75/42/377647542.db2.gz XWBSZUJZKVHEPP-IRXDYDNUSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252668583 377647547 /nfs/dbraw/zinc/64/75/47/377647547.db2.gz XWBSZUJZKVHEPP-IRXDYDNUSA-N 2 1 288.435 3.190 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674668 377649178 /nfs/dbraw/zinc/64/91/78/377649178.db2.gz TZOKYDGITYHREL-KBPBESRZSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674668 377649184 /nfs/dbraw/zinc/64/91/84/377649184.db2.gz TZOKYDGITYHREL-KBPBESRZSA-N 2 1 298.352 3.422 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000252673606 377649312 /nfs/dbraw/zinc/64/93/12/377649312.db2.gz LGYMBWBPYHPMPT-IRXDYDNUSA-N 2 1 258.409 3.020 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674973 377649652 /nfs/dbraw/zinc/64/96/52/377649652.db2.gz WJEOHKWCLQOBSS-GJZGRUSLSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674973 377649655 /nfs/dbraw/zinc/64/96/55/377649655.db2.gz WJEOHKWCLQOBSS-GJZGRUSLSA-N 2 1 298.352 3.422 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000252673464 377649837 /nfs/dbraw/zinc/64/98/37/377649837.db2.gz JMJBBAINDXJZFT-ROUUACIJSA-N 2 1 272.436 3.328 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252713289 377655054 /nfs/dbraw/zinc/65/50/54/377655054.db2.gz OTKYAYZAHSSALJ-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ncncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000574822565 377715016 /nfs/dbraw/zinc/71/50/16/377715016.db2.gz KTLCNBQRGIXOOO-LSDHHAIUSA-N 2 1 290.455 3.090 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000574946222 377727293 /nfs/dbraw/zinc/72/72/93/377727293.db2.gz XHLKRHFXUROFMP-BHYGNILZSA-N 2 1 260.425 3.108 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000574946222 377727302 /nfs/dbraw/zinc/72/73/02/377727302.db2.gz XHLKRHFXUROFMP-BHYGNILZSA-N 2 1 260.425 3.108 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc2ccccc21 ZINC000258924189 377802529 /nfs/dbraw/zinc/80/25/29/377802529.db2.gz GNSFXVFHJQTGES-HNNXBMFYSA-N 2 1 268.404 3.271 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261584781 377823741 /nfs/dbraw/zinc/82/37/41/377823741.db2.gz IAIDDWVQBSIKNA-OCCSQVGLSA-N 2 1 278.465 3.229 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261584781 377823746 /nfs/dbraw/zinc/82/37/46/377823746.db2.gz IAIDDWVQBSIKNA-OCCSQVGLSA-N 2 1 278.465 3.229 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1c1ccccc1 ZINC000261606948 377825268 /nfs/dbraw/zinc/82/52/68/377825268.db2.gz BJMDFQFYJLNREG-SJORKVTESA-N 2 1 284.378 3.000 20 0 CGADMP CCC[N@@H+](CCSCc1ccccc1)C1CC[NH2+]CC1 ZINC000261927555 377869403 /nfs/dbraw/zinc/86/94/03/377869403.db2.gz LCOSYXPPWKAXMQ-UHFFFAOYSA-N 2 1 292.492 3.384 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261924602 377869877 /nfs/dbraw/zinc/86/98/77/377869877.db2.gz BZSVJIZUPKTPCV-IAGOWNOFSA-N 2 1 290.476 3.085 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261924602 377869881 /nfs/dbraw/zinc/86/98/81/377869881.db2.gz BZSVJIZUPKTPCV-IAGOWNOFSA-N 2 1 290.476 3.085 20 0 CGADMP C[C@@]1(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC[NH2+]C1 ZINC000262023669 377879696 /nfs/dbraw/zinc/87/96/96/377879696.db2.gz NJGVWADLOIIOQP-FCGDIQPGSA-N 2 1 284.447 3.397 20 0 CGADMP Cc1ccc(C(C)(C)C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000262114056 377888833 /nfs/dbraw/zinc/88/88/33/377888833.db2.gz WTRYIAMFFJZCKF-SFHVURJKSA-N 2 1 274.452 3.204 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c2ccccc12 ZINC000262324963 377893691 /nfs/dbraw/zinc/89/36/91/377893691.db2.gz RNRYCAIXAKKRFO-GJZGRUSLSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000261822600 377856671 /nfs/dbraw/zinc/85/66/71/377856671.db2.gz PLAGGRPXWIOBNQ-HNNXBMFYSA-N 2 1 260.406 3.072 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]12 ZINC000261866983 377861553 /nfs/dbraw/zinc/86/15/53/377861553.db2.gz YMKSDGSCHZHKMP-KBAYOESNSA-N 2 1 266.388 3.009 20 0 CGADMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)c2ccccc12 ZINC000578337534 378060764 /nfs/dbraw/zinc/06/07/64/378060764.db2.gz JGXICVGBLUYJFN-UHFFFAOYSA-N 2 1 284.403 3.034 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268799800 378114141 /nfs/dbraw/zinc/11/41/41/378114141.db2.gz JZUNAWVWIHGZOL-JOCBIADPSA-N 2 1 272.436 3.143 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268799800 378114146 /nfs/dbraw/zinc/11/41/46/378114146.db2.gz JZUNAWVWIHGZOL-JOCBIADPSA-N 2 1 272.436 3.143 20 0 CGADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000578939644 378115728 /nfs/dbraw/zinc/11/57/28/378115728.db2.gz JCDIMJTVARTQFB-JKSUJKDBSA-N 2 1 254.462 3.379 20 0 CGADMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000268805994 378116310 /nfs/dbraw/zinc/11/63/10/378116310.db2.gz KSVKNPUGHJIUQH-MRXNPFEDSA-N 2 1 257.381 3.323 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)sc1C ZINC000579040894 378125546 /nfs/dbraw/zinc/12/55/46/378125546.db2.gz ABUSCZWPSNJBTE-UHFFFAOYSA-N 2 1 254.443 3.139 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)sc1C ZINC000579040894 378125552 /nfs/dbraw/zinc/12/55/52/378125552.db2.gz ABUSCZWPSNJBTE-UHFFFAOYSA-N 2 1 254.443 3.139 20 0 CGADMP C[C@H](C[N@@H+](C)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579354349 378152561 /nfs/dbraw/zinc/15/25/61/378152561.db2.gz ZLWJQSODNYANGC-LLVKDONJSA-N 2 1 274.330 3.090 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000268783256 378109835 /nfs/dbraw/zinc/10/98/35/378109835.db2.gz DAFZEQRJKYBYFZ-SNVBAGLBSA-N 2 1 281.762 3.335 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000579837623 378200708 /nfs/dbraw/zinc/20/07/08/378200708.db2.gz KGXXSGKBXNINCN-AEFFLSMTSA-N 2 1 274.452 3.358 20 0 CGADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000580097496 378224660 /nfs/dbraw/zinc/22/46/60/378224660.db2.gz PHYPCSYYJVXNSY-BZUAXINKSA-N 2 1 296.499 3.026 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000579488879 378165666 /nfs/dbraw/zinc/16/56/66/378165666.db2.gz YVUWTNAQDCVSFG-INMHGKMJSA-N 2 1 260.425 3.067 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC000184507937 542235891 /nfs/dbraw/zinc/23/58/91/542235891.db2.gz AIZKWHOEHOIDJK-QWHCGFSZSA-N 2 1 281.469 3.367 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000565512819 322080475 /nfs/dbraw/zinc/08/04/75/322080475.db2.gz OYUBRJDBLSRIIZ-XIRDDKMYSA-N 2 1 264.457 3.395 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000583779809 378346021 /nfs/dbraw/zinc/34/60/21/378346021.db2.gz KWLDAKWHNSDSIG-KRWDZBQOSA-N 2 1 290.426 3.298 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(Cl)nc1 ZINC000270402367 378346269 /nfs/dbraw/zinc/34/62/69/378346269.db2.gz ACDYPPMJVCHHEN-GFCCVEGCSA-N 2 1 269.820 3.116 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000270402367 378346272 /nfs/dbraw/zinc/34/62/72/378346272.db2.gz ACDYPPMJVCHHEN-GFCCVEGCSA-N 2 1 269.820 3.116 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000270402367 378346274 /nfs/dbraw/zinc/34/62/74/378346274.db2.gz ACDYPPMJVCHHEN-GFCCVEGCSA-N 2 1 269.820 3.116 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000270598379 378373065 /nfs/dbraw/zinc/37/30/65/378373065.db2.gz GJBKMNZYSVFKSI-SFHVURJKSA-N 2 1 283.419 3.146 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000270598379 378373070 /nfs/dbraw/zinc/37/30/70/378373070.db2.gz GJBKMNZYSVFKSI-SFHVURJKSA-N 2 1 283.419 3.146 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346018085 378440740 /nfs/dbraw/zinc/44/07/40/378440740.db2.gz QMWNCFWQVKBPAD-DLBZAZTESA-N 2 1 290.476 3.135 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000271933829 378522886 /nfs/dbraw/zinc/52/28/86/378522886.db2.gz XJLWWVBVYNOMQF-UHFFFAOYSA-N 2 1 285.218 3.345 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000271191173 378480342 /nfs/dbraw/zinc/48/03/42/378480342.db2.gz PXAHBBAWNXVUGA-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000271191173 378480349 /nfs/dbraw/zinc/48/03/49/378480349.db2.gz PXAHBBAWNXVUGA-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271904010 378512291 /nfs/dbraw/zinc/51/22/91/378512291.db2.gz WCOCRAHNXACUOF-HUUCEWRRSA-N 2 1 288.435 3.039 20 0 CGADMP CC1(C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000271997735 378541206 /nfs/dbraw/zinc/54/12/06/378541206.db2.gz CPBVNADAMHYMBL-QGZVFWFLSA-N 2 1 290.426 3.221 20 0 CGADMP CC(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272208048 378584757 /nfs/dbraw/zinc/58/47/57/378584757.db2.gz PSWCPFMZGWFNEL-RDJZCZTQSA-N 2 1 260.425 3.143 20 0 CGADMP COC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000346530045 378606001 /nfs/dbraw/zinc/60/60/01/378606001.db2.gz QMWUBDIWTWVQDN-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000346655225 378664227 /nfs/dbraw/zinc/66/42/27/378664227.db2.gz FQYRZMXKSCPNSI-YIEVGGLXSA-N 2 1 264.388 3.144 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CCC[NH2+]C1)CCC2 ZINC000347012241 378703656 /nfs/dbraw/zinc/70/36/56/378703656.db2.gz VSBZOOGTENNJJH-GXTWGEPZSA-N 2 1 293.480 3.014 20 0 CGADMP Cc1scc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000638116238 378704095 /nfs/dbraw/zinc/70/40/95/378704095.db2.gz IQBQZUULTHXHAQ-XHDPSFHLSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000638116238 378704097 /nfs/dbraw/zinc/70/40/97/378704097.db2.gz IQBQZUULTHXHAQ-XHDPSFHLSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000638116238 378704100 /nfs/dbraw/zinc/70/41/00/378704100.db2.gz IQBQZUULTHXHAQ-XHDPSFHLSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000638116238 378704101 /nfs/dbraw/zinc/70/41/01/378704101.db2.gz IQBQZUULTHXHAQ-XHDPSFHLSA-N 2 1 266.454 3.279 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2OC)[C@@H](C)C1 ZINC000638114890 378705877 /nfs/dbraw/zinc/70/58/77/378705877.db2.gz ZJVWNAAAYOEJFN-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2OC)[C@@H](C)C1 ZINC000638114890 378705878 /nfs/dbraw/zinc/70/58/78/378705878.db2.gz ZJVWNAAAYOEJFN-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2OC)[C@@H](C)C1 ZINC000638114890 378705880 /nfs/dbraw/zinc/70/58/80/378705880.db2.gz ZJVWNAAAYOEJFN-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2OC)[C@@H](C)C1 ZINC000638114890 378705881 /nfs/dbraw/zinc/70/58/81/378705881.db2.gz ZJVWNAAAYOEJFN-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638387831 378787213 /nfs/dbraw/zinc/78/72/13/378787213.db2.gz YGOSVTKIIZOUBG-QZTJIDSGSA-N 2 1 283.419 3.365 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC000348104653 378795167 /nfs/dbraw/zinc/79/51/67/378795167.db2.gz CHKUGYCGZULUFS-GXTWGEPZSA-N 2 1 250.386 3.031 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c(C)o1 ZINC000348104653 378795172 /nfs/dbraw/zinc/79/51/72/378795172.db2.gz CHKUGYCGZULUFS-GXTWGEPZSA-N 2 1 250.386 3.031 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000348129925 378803707 /nfs/dbraw/zinc/80/37/07/378803707.db2.gz ZFCUQGNPAVPECS-DLBZAZTESA-N 2 1 260.425 3.417 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000348259886 378870605 /nfs/dbraw/zinc/87/06/05/378870605.db2.gz MXCRQEZNHNDSTP-VSZNYVQBSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000348259886 378870612 /nfs/dbraw/zinc/87/06/12/378870612.db2.gz MXCRQEZNHNDSTP-VSZNYVQBSA-N 2 1 270.420 3.007 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1c(C)noc1C ZINC000348307730 378899352 /nfs/dbraw/zinc/89/93/52/378899352.db2.gz COEOPGUNZBHLOL-NVXWUHKLSA-N 2 1 293.455 3.282 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000348316519 378904239 /nfs/dbraw/zinc/90/42/39/378904239.db2.gz IUOZKJIVMCIBEQ-SPUZQDLCSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000348316519 378904245 /nfs/dbraw/zinc/90/42/45/378904245.db2.gz IUOZKJIVMCIBEQ-SPUZQDLCSA-N 2 1 290.426 3.377 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOC2CCC2)cc1 ZINC000346941407 218064575 /nfs/dbraw/zinc/06/45/75/218064575.db2.gz MDUHHZQWOPYSHV-CQSZACIVSA-N 2 1 299.418 3.400 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc2ccccc21 ZINC000275059568 378932220 /nfs/dbraw/zinc/93/22/20/378932220.db2.gz WNTZJTYQMMKDAS-CQSZACIVSA-N 2 1 279.387 3.467 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000276652291 378974681 /nfs/dbraw/zinc/97/46/81/378974681.db2.gz MPHUWQYMTXYNPJ-OAHLLOKOSA-N 2 1 277.799 3.357 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000276613476 378967022 /nfs/dbraw/zinc/96/70/22/378967022.db2.gz HBAVPMAFGLZWHS-NSHDSACASA-N 2 1 297.324 3.332 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@@H]1C[NH3+] ZINC000347100672 218121420 /nfs/dbraw/zinc/12/14/20/218121420.db2.gz JZSSYHAVSQFBAF-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@@H]1C[NH3+] ZINC000347100672 218121422 /nfs/dbraw/zinc/12/14/22/218121422.db2.gz JZSSYHAVSQFBAF-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347113860 218126604 /nfs/dbraw/zinc/12/66/04/218126604.db2.gz SDYMPDMCYZIYAY-CYBMUJFWSA-N 2 1 272.392 3.166 20 0 CGADMP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)c(OC(F)F)cc1C ZINC000347138881 218133833 /nfs/dbraw/zinc/13/38/33/218133833.db2.gz VLBKJVLJEVLEGO-UHFFFAOYSA-N 2 1 298.377 3.089 20 0 CGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)c(OC(F)F)cc1C ZINC000347138881 218133835 /nfs/dbraw/zinc/13/38/35/218133835.db2.gz VLBKJVLJEVLEGO-UHFFFAOYSA-N 2 1 298.377 3.089 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152886 218139642 /nfs/dbraw/zinc/13/96/42/218139642.db2.gz BMXGKZFUNPDFON-BEFAXECRSA-N 2 1 295.430 3.450 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152886 218139645 /nfs/dbraw/zinc/13/96/45/218139645.db2.gz BMXGKZFUNPDFON-BEFAXECRSA-N 2 1 295.430 3.450 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000347334681 218194202 /nfs/dbraw/zinc/19/42/02/218194202.db2.gz RYJMOHBPFHIGBD-INIZCTEOSA-N 2 1 262.441 3.185 20 0 CGADMP CCS[C@@H]1CCCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000370790137 379072559 /nfs/dbraw/zinc/07/25/59/379072559.db2.gz ZHVUUEVSRHSKKL-OAHLLOKOSA-N 2 1 281.469 3.189 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000370790137 379072573 /nfs/dbraw/zinc/07/25/73/379072573.db2.gz ZHVUUEVSRHSKKL-OAHLLOKOSA-N 2 1 281.469 3.189 20 0 CGADMP C[N@@H+](Cc1coc2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348863960 379086183 /nfs/dbraw/zinc/08/61/83/379086183.db2.gz AAKPQFSNCGKQBU-XYPWUTKMSA-N 2 1 284.403 3.490 20 0 CGADMP C[NH+](Cc1coc2ccccc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348863960 379086194 /nfs/dbraw/zinc/08/61/94/379086194.db2.gz AAKPQFSNCGKQBU-XYPWUTKMSA-N 2 1 284.403 3.490 20 0 CGADMP C[NH+](Cc1coc2ccccc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348863960 379086201 /nfs/dbraw/zinc/08/62/01/379086201.db2.gz AAKPQFSNCGKQBU-XYPWUTKMSA-N 2 1 284.403 3.490 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](C/C=C/c2ccccc2)CC1 ZINC000277222107 379102003 /nfs/dbraw/zinc/10/20/03/379102003.db2.gz OAJYMGVJAZXVMS-BHMZLHOFSA-N 2 1 258.409 3.116 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC000277222107 379102006 /nfs/dbraw/zinc/10/20/06/379102006.db2.gz OAJYMGVJAZXVMS-BHMZLHOFSA-N 2 1 258.409 3.116 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCOCc2ccccc2)CC1 ZINC000277229055 379103505 /nfs/dbraw/zinc/10/35/05/379103505.db2.gz ONXUDKNKMRCBOY-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)CC1 ZINC000277262243 379113933 /nfs/dbraw/zinc/11/39/33/379113933.db2.gz QYVXZZVWWZMFGG-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000277531454 379182928 /nfs/dbraw/zinc/18/29/28/379182928.db2.gz PWEHBSCVZPQZBC-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC34CC4)CC[N@H+]2C2CC2)cc1 ZINC000639276462 379220739 /nfs/dbraw/zinc/22/07/39/379220739.db2.gz BZUZZVAYJLLFQA-BPQIPLTHSA-N 2 1 282.431 3.497 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC34CC4)CC[N@@H+]2C2CC2)cc1 ZINC000639276462 379220745 /nfs/dbraw/zinc/22/07/45/379220745.db2.gz BZUZZVAYJLLFQA-BPQIPLTHSA-N 2 1 282.431 3.497 20 0 CGADMP CCOc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000373484936 379288739 /nfs/dbraw/zinc/28/87/39/379288739.db2.gz MRYYCZCEBYMQKL-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC1(F)F ZINC000639322429 379275226 /nfs/dbraw/zinc/27/52/26/379275226.db2.gz SORGQGKODQUUFO-OUCADQQQSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC1(F)F ZINC000639322429 379275230 /nfs/dbraw/zinc/27/52/30/379275230.db2.gz SORGQGKODQUUFO-OUCADQQQSA-N 2 1 272.383 3.027 20 0 CGADMP CCC1([NH+](C)C)CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000639378160 379337886 /nfs/dbraw/zinc/33/78/86/379337886.db2.gz DEQZNXFGGHVQSD-AWEZNQCLSA-N 2 1 280.481 3.485 20 0 CGADMP COc1cccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1F ZINC000192956419 542269807 /nfs/dbraw/zinc/26/98/07/542269807.db2.gz WSUOZFUKIGJBDB-HNNXBMFYSA-N 2 1 294.414 3.141 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929132 379653748 /nfs/dbraw/zinc/65/37/48/379653748.db2.gz KWOONTDKDZMOIP-HNNXBMFYSA-N 2 1 273.380 3.029 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929132 379653756 /nfs/dbraw/zinc/65/37/56/379653756.db2.gz KWOONTDKDZMOIP-HNNXBMFYSA-N 2 1 273.380 3.029 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)[C@@H]2CCCC[C@@H]21 ZINC000377801989 379744465 /nfs/dbraw/zinc/74/44/65/379744465.db2.gz DLCXYXUGODNMSX-NFFDBFGFSA-N 2 1 273.424 3.071 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC000640219916 379749214 /nfs/dbraw/zinc/74/92/14/379749214.db2.gz OTXOPCYLEOVZKI-QGZVFWFLSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC000640219916 379749221 /nfs/dbraw/zinc/74/92/21/379749221.db2.gz OTXOPCYLEOVZKI-QGZVFWFLSA-N 2 1 275.440 3.397 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000280815557 379797834 /nfs/dbraw/zinc/79/78/34/379797834.db2.gz MQISVUWMNVEFET-SDNTUTLCSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC[N@H+]1C ZINC000280815557 379797840 /nfs/dbraw/zinc/79/78/40/379797840.db2.gz MQISVUWMNVEFET-SDNTUTLCSA-N 2 1 276.399 3.144 20 0 CGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000640351066 379774154 /nfs/dbraw/zinc/77/41/54/379774154.db2.gz WVBKDYTXMMYKLW-QGZVFWFLSA-N 2 1 297.531 3.017 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535917 379846312 /nfs/dbraw/zinc/84/63/12/379846312.db2.gz XFOXKOUVZBHLBX-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535917 379846316 /nfs/dbraw/zinc/84/63/16/379846316.db2.gz XFOXKOUVZBHLBX-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP c1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000352533908 379847345 /nfs/dbraw/zinc/84/73/45/379847345.db2.gz AYCAEHKSEINXBG-IBGZPJMESA-N 2 1 280.415 3.415 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532963 379819220 /nfs/dbraw/zinc/81/92/20/379819220.db2.gz LQDHRRZZNKGMLB-MRXNPFEDSA-N 2 1 275.440 3.341 20 0 CGADMP Cc1cnc([C@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640534107 379820049 /nfs/dbraw/zinc/82/00/49/379820049.db2.gz LUKCYGBLPGUTRX-INIZCTEOSA-N 2 1 290.455 3.044 20 0 CGADMP C[N@@H+](CCCCCF)CCCC[NH+]1CCCCC1 ZINC000640534741 379820096 /nfs/dbraw/zinc/82/00/96/379820096.db2.gz UHVJSIHMBOCFBF-UHFFFAOYSA-N 2 1 258.425 3.324 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)c(C)o2)C1 ZINC000282331813 379899332 /nfs/dbraw/zinc/89/93/32/379899332.db2.gz UVDRHPQPLUFROO-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)c(C)o2)C1 ZINC000282331813 379899336 /nfs/dbraw/zinc/89/93/36/379899336.db2.gz UVDRHPQPLUFROO-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP c1cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2o1 ZINC000352793406 379963655 /nfs/dbraw/zinc/96/36/55/379963655.db2.gz PJUIIJCDWDPFBJ-CVEARBPZSA-N 2 1 270.376 3.149 20 0 CGADMP c1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2o1 ZINC000352793406 379963656 /nfs/dbraw/zinc/96/36/56/379963656.db2.gz PJUIIJCDWDPFBJ-CVEARBPZSA-N 2 1 270.376 3.149 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccn(C)c2)C1 ZINC000352795780 379966565 /nfs/dbraw/zinc/96/65/65/379966565.db2.gz FLKDCOKSIFKATJ-SJORKVTESA-N 2 1 289.467 3.112 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccn(C)c2)C1 ZINC000352795780 379966569 /nfs/dbraw/zinc/96/65/69/379966569.db2.gz FLKDCOKSIFKATJ-SJORKVTESA-N 2 1 289.467 3.112 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000352795780 379966575 /nfs/dbraw/zinc/96/65/75/379966575.db2.gz FLKDCOKSIFKATJ-SJORKVTESA-N 2 1 289.467 3.112 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000352795780 379966579 /nfs/dbraw/zinc/96/65/79/379966579.db2.gz FLKDCOKSIFKATJ-SJORKVTESA-N 2 1 289.467 3.112 20 0 CGADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000352760681 379944867 /nfs/dbraw/zinc/94/48/67/379944867.db2.gz RDVPMNGOPHDIIQ-GFCCVEGCSA-N 2 1 269.458 3.119 20 0 CGADMP CCC(CC)(CC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352765068 379948984 /nfs/dbraw/zinc/94/89/84/379948984.db2.gz IUIAUOVTFHWMMR-UHFFFAOYSA-N 2 1 269.458 3.263 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000401729463 379958643 /nfs/dbraw/zinc/95/86/43/379958643.db2.gz AOVGEQQYDCJBLI-SUMWQHHRSA-N 2 1 269.392 3.191 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000401729457 379958725 /nfs/dbraw/zinc/95/87/25/379958725.db2.gz AOVGEQQYDCJBLI-CXAGYDPISA-N 2 1 269.392 3.191 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2CC2)C1 ZINC000409446019 380033483 /nfs/dbraw/zinc/03/34/83/380033483.db2.gz AWZCKYLSKAQCNW-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC000409446019 380033486 /nfs/dbraw/zinc/03/34/86/380033486.db2.gz AWZCKYLSKAQCNW-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000409446019 380033490 /nfs/dbraw/zinc/03/34/90/380033490.db2.gz AWZCKYLSKAQCNW-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000641796024 380108856 /nfs/dbraw/zinc/10/88/56/380108856.db2.gz CXHZYSTZJBCCSN-HNNXBMFYSA-N 2 1 299.418 3.081 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000641796024 380108862 /nfs/dbraw/zinc/10/88/62/380108862.db2.gz CXHZYSTZJBCCSN-HNNXBMFYSA-N 2 1 299.418 3.081 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3s2)CC[N@@H+]1C ZINC000268180669 190383838 /nfs/dbraw/zinc/38/38/38/190383838.db2.gz IQKBSYNKXLMKDI-GXTWGEPZSA-N 2 1 274.433 3.474 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3s2)CC[N@H+]1C ZINC000268180669 190383839 /nfs/dbraw/zinc/38/38/39/190383839.db2.gz IQKBSYNKXLMKDI-GXTWGEPZSA-N 2 1 274.433 3.474 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000286237506 380181602 /nfs/dbraw/zinc/18/16/02/380181602.db2.gz TVPPSWDPTZHDGC-DLBZAZTESA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000286237506 380181604 /nfs/dbraw/zinc/18/16/04/380181604.db2.gz TVPPSWDPTZHDGC-DLBZAZTESA-N 2 1 289.467 3.409 20 0 CGADMP Clc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000643249840 380244899 /nfs/dbraw/zinc/24/48/99/380244899.db2.gz PRUFOZVGZVQXTO-KBPBESRZSA-N 2 1 286.806 3.144 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)[C@@H](C)C1 ZINC000414343810 380214613 /nfs/dbraw/zinc/21/46/13/380214613.db2.gz YTTBPBPRWGEETH-JJXSEGSLSA-N 2 1 296.499 3.289 20 0 CGADMP C[C@H]([NH2+]CC1(C2CCC2)CCC1)c1c[nH+]ccc1N ZINC000643493712 380319111 /nfs/dbraw/zinc/31/91/11/380319111.db2.gz BDVBGDILCUWPLP-LBPRGKRZSA-N 2 1 259.397 3.115 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000643498805 380321322 /nfs/dbraw/zinc/32/13/22/380321322.db2.gz BSIHXZOHLOVSSP-AWEZNQCLSA-N 2 1 256.340 3.005 20 0 CGADMP Cc1cccc(C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)c1 ZINC000643501628 380323382 /nfs/dbraw/zinc/32/33/82/380323382.db2.gz MRIKQLRHOCNYOI-MSOLQXFVSA-N 2 1 272.436 3.048 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000643502853 380326017 /nfs/dbraw/zinc/32/60/17/380326017.db2.gz TYWGLJAJPHWHND-ZACQAIPSSA-N 2 1 287.451 3.148 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCC(C2CCCCC2)CC1)C1CC1 ZINC000643512932 380334324 /nfs/dbraw/zinc/33/43/24/380334324.db2.gz LKPOKKTYDJHHIX-PREGVCBESA-N 2 1 264.457 3.452 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000414672445 380363896 /nfs/dbraw/zinc/36/38/96/380363896.db2.gz PELYMKPUNYBCTA-OCCSQVGLSA-N 2 1 298.377 3.108 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2nc3ccccc3s2)CC[NH2+]1 ZINC000414685071 380372951 /nfs/dbraw/zinc/37/29/51/380372951.db2.gz XSEYLJVSWHYAQC-OLZOCXBDSA-N 2 1 289.448 3.116 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCOc2ccccc2Cl)CC[NH2+]1 ZINC000414684781 380373326 /nfs/dbraw/zinc/37/33/26/380373326.db2.gz WSTMLZWIIGDELB-KGLIPLIRSA-N 2 1 296.842 3.039 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414690841 380376470 /nfs/dbraw/zinc/37/64/70/380376470.db2.gz AUFGRSIDWJULRP-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414705659 380381968 /nfs/dbraw/zinc/38/19/68/380381968.db2.gz LQRHLWUCBXWMJK-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414710256 380384021 /nfs/dbraw/zinc/38/40/21/380384021.db2.gz RTIHUZBNLXHAOE-KWCYVHTRSA-N 2 1 295.496 3.395 20 0 CGADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1ccccc1 ZINC000414717472 380385528 /nfs/dbraw/zinc/38/55/28/380385528.db2.gz ZNJCLHGHIMYHQN-BRWVUGGUSA-N 2 1 290.451 3.084 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000643525886 380340663 /nfs/dbraw/zinc/34/06/63/380340663.db2.gz GTDFRWBTPKTLIM-KBPBESRZSA-N 2 1 270.376 3.477 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000643526874 380343357 /nfs/dbraw/zinc/34/33/57/380343357.db2.gz BCZMSFCCGKICSN-SDBXPKJASA-N 2 1 273.207 3.381 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCCN3)c2ccccc21 ZINC000643532178 380346822 /nfs/dbraw/zinc/34/68/22/380346822.db2.gz AKBQIKWYIOLUOE-MJGOQNOKSA-N 2 1 293.414 3.279 20 0 CGADMP Cc1cccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000414758195 380395293 /nfs/dbraw/zinc/39/52/93/380395293.db2.gz UOYDOLUEPQDBTM-XYJFISCASA-N 2 1 272.436 3.172 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000643543543 380357399 /nfs/dbraw/zinc/35/73/99/380357399.db2.gz ZKEFYHLKPBUJNG-DZGCQCFKSA-N 2 1 266.454 3.176 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414814498 380426009 /nfs/dbraw/zinc/42/60/09/380426009.db2.gz NXCNQWXNXBVPGO-SFHVURJKSA-N 2 1 283.419 3.356 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000414818998 380429827 /nfs/dbraw/zinc/42/98/27/380429827.db2.gz XMOZIYAIZONWBZ-LBPRGKRZSA-N 2 1 274.330 3.313 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H](C)CCc1ccccc1 ZINC000414818958 380429977 /nfs/dbraw/zinc/42/99/77/380429977.db2.gz XICUMMNECYCKSX-NVXWUHKLSA-N 2 1 262.441 3.362 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414819505 380430318 /nfs/dbraw/zinc/43/03/18/380430318.db2.gz YXLUSARJBLLGJR-GOSISDBHSA-N 2 1 283.419 3.356 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414819307 380430522 /nfs/dbraw/zinc/43/05/22/380430522.db2.gz YKLBISFZIGJRLM-XJKSGUPXSA-N 2 1 266.404 3.254 20 0 CGADMP C[C@H]([NH3+])CC[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414825357 380433373 /nfs/dbraw/zinc/43/33/73/380433373.db2.gz SHYHRJQVCNZHCD-ZDUSSCGKSA-N 2 1 272.367 3.320 20 0 CGADMP c1cc(-c2ccccc2)oc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414825287 380434059 /nfs/dbraw/zinc/43/40/59/380434059.db2.gz HAUSOVWAZKHZHU-AWEZNQCLSA-N 2 1 270.376 3.036 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414831162 380439690 /nfs/dbraw/zinc/43/96/90/380439690.db2.gz CBNYZSOAUNUFLT-SDDRHHMPSA-N 2 1 266.351 3.071 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000414834993 380441943 /nfs/dbraw/zinc/44/19/43/380441943.db2.gz COXQSTJIKIDBSC-UHFFFAOYSA-N 2 1 286.341 3.457 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c3cccnc23)CCCCC1 ZINC000414837941 380446325 /nfs/dbraw/zinc/44/63/25/380446325.db2.gz HOADBKLCNCUVBE-UHFFFAOYSA-N 2 1 287.382 3.125 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414843151 380449495 /nfs/dbraw/zinc/44/94/95/380449495.db2.gz PTKAKMZFRRCCHZ-GFCCVEGCSA-N 2 1 276.355 3.031 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414782742 380402185 /nfs/dbraw/zinc/40/21/85/380402185.db2.gz OTXGEEJYGYEILN-KGLIPLIRSA-N 2 1 293.480 3.088 20 0 CGADMP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781468 380402302 /nfs/dbraw/zinc/40/23/02/380402302.db2.gz MYIVQVMXVNQPPG-OLZOCXBDSA-N 2 1 296.817 3.301 20 0 CGADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414783753 380403051 /nfs/dbraw/zinc/40/30/51/380403051.db2.gz GNZRDFUBPMIIFI-UHFFFAOYSA-N 2 1 296.414 3.204 20 0 CGADMP c1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CC23CCC3)cc1 ZINC000415131812 380508557 /nfs/dbraw/zinc/50/85/57/380508557.db2.gz ZRDAXBDJYHAOLC-GOSISDBHSA-N 2 1 284.447 3.256 20 0 CGADMP c1ccc([C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CC23CCC3)cc1 ZINC000415130166 380509062 /nfs/dbraw/zinc/50/90/62/380509062.db2.gz WDEVNZCADLHOLN-SJLPKXTDSA-N 2 1 284.447 3.256 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3cccn3)cc2)CCCCCC1 ZINC000414857850 380458991 /nfs/dbraw/zinc/45/89/91/380458991.db2.gz GHPYMLKTSUMDID-UHFFFAOYSA-N 2 1 298.434 3.014 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CCCCCC1 ZINC000414862161 380464069 /nfs/dbraw/zinc/46/40/69/380464069.db2.gz VACZVCBNLJHEHI-UHFFFAOYSA-N 2 1 299.418 3.082 20 0 CGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CCC(C)(C)C)cc1 ZINC000414877442 380472029 /nfs/dbraw/zinc/47/20/29/380472029.db2.gz FXESEEWWVPXIOL-IRXDYDNUSA-N 2 1 290.451 3.167 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCOC(C)(C)C)C1 ZINC000354846274 380558635 /nfs/dbraw/zinc/55/86/35/380558635.db2.gz JMRBJSDJHSYYNZ-KRWDZBQOSA-N 2 1 296.499 3.245 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354846274 380558643 /nfs/dbraw/zinc/55/86/43/380558643.db2.gz JMRBJSDJHSYYNZ-KRWDZBQOSA-N 2 1 296.499 3.245 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354846274 380558648 /nfs/dbraw/zinc/55/86/48/380558648.db2.gz JMRBJSDJHSYYNZ-KRWDZBQOSA-N 2 1 296.499 3.245 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCOC(C)(C)C)C1 ZINC000354846276 380558976 /nfs/dbraw/zinc/55/89/76/380558976.db2.gz JMRBJSDJHSYYNZ-QGZVFWFLSA-N 2 1 296.499 3.245 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354846276 380558983 /nfs/dbraw/zinc/55/89/83/380558983.db2.gz JMRBJSDJHSYYNZ-QGZVFWFLSA-N 2 1 296.499 3.245 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354846276 380558988 /nfs/dbraw/zinc/55/89/88/380558988.db2.gz JMRBJSDJHSYYNZ-QGZVFWFLSA-N 2 1 296.499 3.245 20 0 CGADMP CC1CCC(C)(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000355416115 380670920 /nfs/dbraw/zinc/67/09/20/380670920.db2.gz DCAOSFHFICOSQO-UHFFFAOYSA-N 2 1 275.440 3.454 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000418128286 380707059 /nfs/dbraw/zinc/70/70/59/380707059.db2.gz SFULSALGZIGWGR-YDHLFZDLSA-N 2 1 284.407 3.052 20 0 CGADMP CC[C@H](C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1)OC ZINC000419227500 380783322 /nfs/dbraw/zinc/78/33/22/380783322.db2.gz KOHJNQBGLDQCOJ-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420388401 380850702 /nfs/dbraw/zinc/85/07/02/380850702.db2.gz WZEXAPUOIATSMU-DLBZAZTESA-N 2 1 276.399 3.352 20 0 CGADMP CC[C@@H](C)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000421393011 380939497 /nfs/dbraw/zinc/93/94/97/380939497.db2.gz YHIIAIHCEOKYEV-GFCCVEGCSA-N 2 1 281.469 3.045 20 0 CGADMP CC[C@@H](C)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000421393011 380939506 /nfs/dbraw/zinc/93/95/06/380939506.db2.gz YHIIAIHCEOKYEV-GFCCVEGCSA-N 2 1 281.469 3.045 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCNc1ccnc2ccsc21 ZINC000357264438 381086559 /nfs/dbraw/zinc/08/65/59/381086559.db2.gz RNQAJTFBXCDNCR-LLVKDONJSA-N 2 1 263.410 3.439 20 0 CGADMP CC[C@@H](C)[N@H+](C)CCNc1cc[nH+]c2ccsc21 ZINC000357264438 381086565 /nfs/dbraw/zinc/08/65/65/381086565.db2.gz RNQAJTFBXCDNCR-LLVKDONJSA-N 2 1 263.410 3.439 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]c2ccsc21 ZINC000357264438 381086571 /nfs/dbraw/zinc/08/65/71/381086571.db2.gz RNQAJTFBXCDNCR-LLVKDONJSA-N 2 1 263.410 3.439 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccsc3)CC[C@H]21 ZINC000360969465 381634423 /nfs/dbraw/zinc/63/44/23/381634423.db2.gz GYIMYEDBAYQDOJ-HZPDHXFCSA-N 2 1 278.465 3.097 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccsc3)CC[C@H]21 ZINC000360969465 381634432 /nfs/dbraw/zinc/63/44/32/381634432.db2.gz GYIMYEDBAYQDOJ-HZPDHXFCSA-N 2 1 278.465 3.097 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccsc3)CC[C@H]21 ZINC000360969465 381634444 /nfs/dbraw/zinc/63/44/44/381634444.db2.gz GYIMYEDBAYQDOJ-HZPDHXFCSA-N 2 1 278.465 3.097 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334869070 207215930 /nfs/dbraw/zinc/21/59/30/207215930.db2.gz OKKGBWBHKNDVLZ-ZIAGYGMSSA-N 2 1 264.438 3.021 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000360856921 381630353 /nfs/dbraw/zinc/63/03/53/381630353.db2.gz IHFUGQXDDHDPLJ-JSGCOSHPSA-N 2 1 264.413 3.223 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000361496954 381774985 /nfs/dbraw/zinc/77/49/85/381774985.db2.gz ODAVQQJYIPNBLP-ARFHVFGLSA-N 2 1 290.451 3.225 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)[C@H](C)C1 ZINC000362452905 381997780 /nfs/dbraw/zinc/99/77/80/381997780.db2.gz RBCNKFMENYEZCE-IKGGRYGDSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362921698 382148629 /nfs/dbraw/zinc/14/86/29/382148629.db2.gz IBSFUNPENQXOJI-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246813373 542328581 /nfs/dbraw/zinc/32/85/81/542328581.db2.gz AUCGYDBGAHYXNP-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cnc3ccccc3c1)CC[NH2+]CC2 ZINC000335275600 208081332 /nfs/dbraw/zinc/08/13/32/208081332.db2.gz CKZDEYPPKYFXLJ-HNNXBMFYSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H]([NH2+]CCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586296 542367621 /nfs/dbraw/zinc/36/76/21/542367621.db2.gz WVCSYRJWVFHCLU-YJBOKZPZSA-N 2 1 272.436 3.287 20 0 CGADMP CC[N@@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414708926 285095068 /nfs/dbraw/zinc/09/50/68/285095068.db2.gz DHYFZXHGDUYJNT-OAHLLOKOSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2)C[C@H]1C ZINC000353748814 220300567 /nfs/dbraw/zinc/30/05/67/220300567.db2.gz JIOCNIOVOQBTJW-NVXWUHKLSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C[C@H]1C ZINC000353748814 220300570 /nfs/dbraw/zinc/30/05/70/220300570.db2.gz JIOCNIOVOQBTJW-NVXWUHKLSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C[C@H]1C ZINC000353748814 220300574 /nfs/dbraw/zinc/30/05/74/220300574.db2.gz JIOCNIOVOQBTJW-NVXWUHKLSA-N 2 1 260.425 3.300 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ncccc2c1 ZINC000289382723 197321516 /nfs/dbraw/zinc/32/15/16/197321516.db2.gz CURXAVTWFXOBAC-UHFFFAOYSA-N 2 1 271.408 3.008 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000289209865 197264019 /nfs/dbraw/zinc/26/40/19/197264019.db2.gz IMHGMGKFFKZHQQ-RDJZCZTQSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000289209865 197264021 /nfs/dbraw/zinc/26/40/21/197264021.db2.gz IMHGMGKFFKZHQQ-RDJZCZTQSA-N 2 1 289.467 3.033 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000305963792 542420125 /nfs/dbraw/zinc/42/01/25/542420125.db2.gz APDMAIDLWZESHD-ZDUSSCGKSA-N 2 1 252.446 3.275 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000335839010 542472226 /nfs/dbraw/zinc/47/22/26/542472226.db2.gz FUYSUJQRSMJMEN-HTWSVDAQSA-N 2 1 288.410 3.420 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1(CC)CC ZINC000339068180 542485853 /nfs/dbraw/zinc/48/58/53/542485853.db2.gz LXOBKOKATWNBSU-LUKYLMHMSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cn[nH]c1 ZINC000358346830 533340195 /nfs/dbraw/zinc/34/01/95/533340195.db2.gz AXVFAJHINWABNS-CKEIUWERSA-N 2 1 290.455 3.103 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449375434 533331030 /nfs/dbraw/zinc/33/10/30/533331030.db2.gz HDEOEUTUGPBEFF-DVHLICQRSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000423358710 533403202 /nfs/dbraw/zinc/40/32/02/533403202.db2.gz JUNOXLHKNVQOQK-ZYHUDNBSSA-N 2 1 270.779 3.272 20 0 CGADMP C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H](C)[NH3+] ZINC000423446137 533514935 /nfs/dbraw/zinc/51/49/35/533514935.db2.gz NZZLZTJDVYGDLP-IMSIIYSGSA-N 2 1 286.341 3.482 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc2ccccc2o1 ZINC000423366350 533546418 /nfs/dbraw/zinc/54/64/18/533546418.db2.gz CMEQHIYTDLGMGS-BZPMIXESSA-N 2 1 258.365 3.224 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000383695829 542600820 /nfs/dbraw/zinc/60/08/20/542600820.db2.gz ZPFUHIKAANRDOU-ZDUSSCGKSA-N 2 1 290.329 3.048 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000190811277 130149844 /nfs/dbraw/zinc/14/98/44/130149844.db2.gz YZCACPDELBWIMG-UHFFFAOYSA-N 2 1 286.341 3.198 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390722802 542611145 /nfs/dbraw/zinc/61/11/45/542611145.db2.gz OSNGRMIXQXPFBQ-DOTOQJQBSA-N 2 1 272.436 3.287 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000401730420 542622282 /nfs/dbraw/zinc/62/22/82/542622282.db2.gz OAUMWEWDLGGXES-UHFFFAOYSA-N 2 1 297.427 3.481 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3)C[C@@H]2C1 ZINC000425991026 542648546 /nfs/dbraw/zinc/64/85/46/542648546.db2.gz QZYQPNOWZKVZAP-BGYRXZFFSA-N 2 1 292.426 3.347 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)C[C@@H]2C1 ZINC000425991026 542648550 /nfs/dbraw/zinc/64/85/50/542648550.db2.gz QZYQPNOWZKVZAP-BGYRXZFFSA-N 2 1 292.426 3.347 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3)C[C@@H]2C1 ZINC000425991026 542648553 /nfs/dbraw/zinc/64/85/53/542648553.db2.gz QZYQPNOWZKVZAP-BGYRXZFFSA-N 2 1 292.426 3.347 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC000070160167 392178664 /nfs/dbraw/zinc/17/86/64/392178664.db2.gz HEVIVWRALGADKY-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CC1CCC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000092043716 392231131 /nfs/dbraw/zinc/23/11/31/392231131.db2.gz YBXQOMJAEQWDLG-BHUNQDJPSA-N 2 1 264.457 3.229 20 0 CGADMP CC1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000092043716 392231133 /nfs/dbraw/zinc/23/11/33/392231133.db2.gz YBXQOMJAEQWDLG-BHUNQDJPSA-N 2 1 264.457 3.229 20 0 CGADMP CC1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000092043716 392231136 /nfs/dbraw/zinc/23/11/36/392231136.db2.gz YBXQOMJAEQWDLG-BHUNQDJPSA-N 2 1 264.457 3.229 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000361260440 392270135 /nfs/dbraw/zinc/27/01/35/392270135.db2.gz BXWZYTWOTHKUHJ-CVEARBPZSA-N 2 1 284.513 3.468 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2[nH]1 ZINC000285808609 392332712 /nfs/dbraw/zinc/33/27/12/392332712.db2.gz WHOHUQWUGBDQSF-CZUORRHYSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000285846492 392338779 /nfs/dbraw/zinc/33/87/79/392338779.db2.gz XQXQHNFYMIYXQB-CYBMUJFWSA-N 2 1 275.440 3.350 20 0 CGADMP CC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000434773020 542657174 /nfs/dbraw/zinc/65/71/74/542657174.db2.gz FCLNIXIXCBDTPW-GOSISDBHSA-N 2 1 286.463 3.331 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(F)cccc1Cl ZINC000237525875 131038043 /nfs/dbraw/zinc/03/80/43/131038043.db2.gz ILZIHSLAEOJQDO-LLVKDONJSA-N 2 1 295.789 3.410 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000249382041 131121257 /nfs/dbraw/zinc/12/12/57/131121257.db2.gz SZJNJDOJTGUOHN-CABCVRRESA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000361984209 392380467 /nfs/dbraw/zinc/38/04/67/392380467.db2.gz YHRFABHFQWOMAE-LSDHHAIUSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292258909 392502191 /nfs/dbraw/zinc/50/21/91/392502191.db2.gz YJAZFFATIJXODL-NVXWUHKLSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292258909 392502197 /nfs/dbraw/zinc/50/21/97/392502197.db2.gz YJAZFFATIJXODL-NVXWUHKLSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292258909 392502207 /nfs/dbraw/zinc/50/22/07/392502207.db2.gz YJAZFFATIJXODL-NVXWUHKLSA-N 2 1 258.409 3.084 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000152374587 392505178 /nfs/dbraw/zinc/50/51/78/392505178.db2.gz QJAWAPGYCKNUDF-WCQYABFASA-N 2 1 293.480 3.149 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCc1cccs1 ZINC000162070034 392591196 /nfs/dbraw/zinc/59/11/96/392591196.db2.gz IGNUACJDNAKNHT-UHFFFAOYSA-N 2 1 277.437 3.208 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCc1cccs1 ZINC000162070034 392591198 /nfs/dbraw/zinc/59/11/98/392591198.db2.gz IGNUACJDNAKNHT-UHFFFAOYSA-N 2 1 277.437 3.208 20 0 CGADMP Cc1cccc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000157565841 392550536 /nfs/dbraw/zinc/55/05/36/392550536.db2.gz FRXKXZLWAURIIB-DLBZAZTESA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cccc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000157565841 392550537 /nfs/dbraw/zinc/55/05/37/392550537.db2.gz FRXKXZLWAURIIB-DLBZAZTESA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178977459 392686119 /nfs/dbraw/zinc/68/61/19/392686119.db2.gz QQCGUORQWWZUJV-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000647283781 392635894 /nfs/dbraw/zinc/63/58/94/392635894.db2.gz MVDNYZGTKBKHRE-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000647316229 392661702 /nfs/dbraw/zinc/66/17/02/392661702.db2.gz VVAVLWDSXCMCDE-HUUCEWRRSA-N 2 1 258.409 3.056 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000647316229 392661711 /nfs/dbraw/zinc/66/17/11/392661711.db2.gz VVAVLWDSXCMCDE-HUUCEWRRSA-N 2 1 258.409 3.056 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647479322 392734816 /nfs/dbraw/zinc/73/48/16/392734816.db2.gz CBWJVBURKATOEM-YDZRNGNQSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)CC[N@@H+]1C ZINC000334541868 392735754 /nfs/dbraw/zinc/73/57/54/392735754.db2.gz FCOKUKKKUSZSPK-RDTXWAMCSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)CC[N@H+]1C ZINC000334541868 392735759 /nfs/dbraw/zinc/73/57/59/392735759.db2.gz FCOKUKKKUSZSPK-RDTXWAMCSA-N 2 1 272.436 3.006 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482677 392736311 /nfs/dbraw/zinc/73/63/11/392736311.db2.gz XUNVVRDQMYXBMP-UHFFFAOYSA-N 2 1 284.403 3.458 20 0 CGADMP c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc(C2CC2)c1 ZINC000647482502 392737278 /nfs/dbraw/zinc/73/72/78/392737278.db2.gz KKLSWVTXTNQSAF-UHFFFAOYSA-N 2 1 270.420 3.280 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647497781 392740406 /nfs/dbraw/zinc/74/04/06/392740406.db2.gz VEDXBWCWXKRPJS-BBRMVZONSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647497781 392740412 /nfs/dbraw/zinc/74/04/12/392740412.db2.gz VEDXBWCWXKRPJS-BBRMVZONSA-N 2 1 280.843 3.462 20 0 CGADMP CC[C@@H]1C[N@@H+](CCc2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000647497453 392740799 /nfs/dbraw/zinc/74/07/99/392740799.db2.gz IJJGAFMXNBPBAR-SJLPKXTDSA-N 2 1 274.452 3.412 20 0 CGADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCCCCC1 ZINC000647533999 392754301 /nfs/dbraw/zinc/75/43/01/392754301.db2.gz DIGKRWDJFCMRCN-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCCCCC1 ZINC000647533999 392754304 /nfs/dbraw/zinc/75/43/04/392754304.db2.gz DIGKRWDJFCMRCN-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP CCC[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534949 392755824 /nfs/dbraw/zinc/75/58/24/392755824.db2.gz ZFCXEEUIWJJDIK-KSZLIROESA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534949 392755834 /nfs/dbraw/zinc/75/58/34/392755834.db2.gz ZFCXEEUIWJJDIK-KSZLIROESA-N 2 1 272.436 3.254 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334871117 392756228 /nfs/dbraw/zinc/75/62/28/392756228.db2.gz YBGMJRZLMIHYIF-SJLPKXTDSA-N 2 1 295.430 3.199 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000647541519 392757743 /nfs/dbraw/zinc/75/77/43/392757743.db2.gz QSRLHDZEMZRLRB-SFHVURJKSA-N 2 1 272.436 3.040 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543639 392761031 /nfs/dbraw/zinc/76/10/31/392761031.db2.gz QTJYAZQHMQKHPF-GBSQEQHRSA-N 2 1 284.447 3.411 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1scnc1C1CC1)C(C)(C)C ZINC000487279771 542710534 /nfs/dbraw/zinc/71/05/34/542710534.db2.gz OPFDWTODHQFZPL-CQSZACIVSA-N 2 1 295.496 3.477 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000375762780 392816423 /nfs/dbraw/zinc/81/64/23/392816423.db2.gz KUVYIHVHEJOMDC-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000375762780 392816428 /nfs/dbraw/zinc/81/64/28/392816428.db2.gz KUVYIHVHEJOMDC-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000375762780 392816432 /nfs/dbraw/zinc/81/64/32/392816432.db2.gz KUVYIHVHEJOMDC-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP C[N@H+]1CC[C@@H](Nc2[nH+]ccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000647873805 392819248 /nfs/dbraw/zinc/81/92/48/392819248.db2.gz IBQFAVAMQWNBOX-IAGOWNOFSA-N 2 1 292.386 3.420 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](CC)c1ccccc1 ZINC000647878618 392821281 /nfs/dbraw/zinc/82/12/81/392821281.db2.gz UBBOOFTYFKTBDP-WBVHZDCISA-N 2 1 260.425 3.459 20 0 CGADMP CC(C)(C)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647884489 392824582 /nfs/dbraw/zinc/82/45/82/392824582.db2.gz VVMXNTSTQGNCKN-MRXNPFEDSA-N 2 1 260.425 3.144 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000647881545 392824921 /nfs/dbraw/zinc/82/49/21/392824921.db2.gz GGDROQMEVOJUMK-KGLIPLIRSA-N 2 1 272.392 3.425 20 0 CGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882618 392825478 /nfs/dbraw/zinc/82/54/78/392825478.db2.gz GDICMODWJCZZBL-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1C ZINC000647888031 392826868 /nfs/dbraw/zinc/82/68/68/392826868.db2.gz CYWPRYJNWVWCAO-RDJZCZTQSA-N 2 1 258.409 3.050 20 0 CGADMP Clc1ccc(CC[N@@H+](CC2CC2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647885921 392827321 /nfs/dbraw/zinc/82/73/21/392827321.db2.gz LKWZBMKZSOXMIZ-INIZCTEOSA-N 2 1 292.854 3.204 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)CC2 ZINC000647903043 392828924 /nfs/dbraw/zinc/82/89/24/392828924.db2.gz FGYAQKYOKZBMGH-JCGIZDLHSA-N 2 1 288.410 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000337495914 392888013 /nfs/dbraw/zinc/88/80/13/392888013.db2.gz FJFQDLBJNJBMDO-BZPMIXESSA-N 2 1 274.399 3.130 20 0 CGADMP c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CC[NH2+]C2)cc1 ZINC000647989196 392858256 /nfs/dbraw/zinc/85/82/56/392858256.db2.gz WRAYNDFTXIELNU-MVCQKVDPSA-N 2 1 284.447 3.082 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000647997536 392860517 /nfs/dbraw/zinc/86/05/17/392860517.db2.gz LSIFAYGUECWCQW-ZBFHGGJFSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000393262987 392931809 /nfs/dbraw/zinc/93/18/09/392931809.db2.gz UOIPYAWWUYGOSI-UXHICEINSA-N 2 1 294.442 3.294 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194884104 392943874 /nfs/dbraw/zinc/94/38/74/392943874.db2.gz DPHCWTBXNUDRCG-GJZGRUSLSA-N 2 1 276.424 3.163 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194884104 392943878 /nfs/dbraw/zinc/94/38/78/392943878.db2.gz DPHCWTBXNUDRCG-GJZGRUSLSA-N 2 1 276.424 3.163 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459793165 392955084 /nfs/dbraw/zinc/95/50/84/392955084.db2.gz SYNXKEILHVOYDV-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2CCCCCC2)C1 ZINC000459740168 392953799 /nfs/dbraw/zinc/95/37/99/392953799.db2.gz TYEBOOKSPOEWBJ-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000340174629 392966569 /nfs/dbraw/zinc/96/65/69/392966569.db2.gz RNKIVPFQQTWSDB-RBUKOAKNSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000340174629 392966576 /nfs/dbraw/zinc/96/65/76/392966576.db2.gz RNKIVPFQQTWSDB-RBUKOAKNSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC2)C[C@H]1c1ccccc1 ZINC000340304411 392969694 /nfs/dbraw/zinc/96/96/94/392969694.db2.gz VCXVLUXSEZNOQW-HOTGVXAUSA-N 2 1 258.409 3.212 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)C[C@H]1c1ccccc1 ZINC000340304411 392969697 /nfs/dbraw/zinc/96/96/97/392969697.db2.gz VCXVLUXSEZNOQW-HOTGVXAUSA-N 2 1 258.409 3.212 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000220618187 393003981 /nfs/dbraw/zinc/00/39/81/393003981.db2.gz ZQUPBDWQWBMYPN-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000220618187 393003987 /nfs/dbraw/zinc/00/39/87/393003987.db2.gz ZQUPBDWQWBMYPN-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000414987696 393081381 /nfs/dbraw/zinc/08/13/81/393081381.db2.gz YYJQDXGSPZINIE-OAHLLOKOSA-N 2 1 270.376 3.306 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@@H]3CC[N@@H+](C(C)C)C3)[nH+]c2c1 ZINC000547304362 393102609 /nfs/dbraw/zinc/10/26/09/393102609.db2.gz OLZHIBHSYWSQGT-INIZCTEOSA-N 2 1 297.446 3.416 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@@H]3CC[N@H+](C(C)C)C3)[nH+]c2c1 ZINC000547304362 393102612 /nfs/dbraw/zinc/10/26/12/393102612.db2.gz OLZHIBHSYWSQGT-INIZCTEOSA-N 2 1 297.446 3.416 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000648566532 393105733 /nfs/dbraw/zinc/10/57/33/393105733.db2.gz WSCYUIFWQXKWQH-RYQLBKOJSA-N 2 1 294.483 3.331 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCC(C)(C)O)CC1)CC(C)C ZINC000546611717 393060390 /nfs/dbraw/zinc/06/03/90/393060390.db2.gz ZKHOTHCCQYIWFC-UHFFFAOYSA-N 2 1 298.515 3.227 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[NH2+]1 ZINC000414954580 393063659 /nfs/dbraw/zinc/06/36/59/393063659.db2.gz STFCTGAWULPBEL-JQWIXIFHSA-N 2 1 293.461 3.102 20 0 CGADMP CCCCCOc1ccc(C[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000414988340 393081011 /nfs/dbraw/zinc/08/10/11/393081011.db2.gz ZQUZUZZIXSORIB-OAHLLOKOSA-N 2 1 264.413 3.083 20 0 CGADMP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000348089286 393111612 /nfs/dbraw/zinc/11/16/12/393111612.db2.gz SXWWWMQLVYLOPI-GJZGRUSLSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc2s1 ZINC000415050869 393112263 /nfs/dbraw/zinc/11/22/63/393112263.db2.gz DHXAPISPOJCLRX-AWEZNQCLSA-N 2 1 277.437 3.068 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415049512 393112422 /nfs/dbraw/zinc/11/24/22/393112422.db2.gz AUPIJPKFAYSYMT-BQFCYCMXSA-N 2 1 274.452 3.460 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)C[C@@]1(C)C[NH3+] ZINC000415050433 393113057 /nfs/dbraw/zinc/11/30/57/393113057.db2.gz CONFCAWOAUECKM-DNVCBOLYSA-N 2 1 295.430 3.165 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415049518 393113207 /nfs/dbraw/zinc/11/32/07/393113207.db2.gz AUPIJPKFAYSYMT-RYRKJORJSA-N 2 1 274.452 3.460 20 0 CGADMP Clc1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054141 393114684 /nfs/dbraw/zinc/11/46/84/393114684.db2.gz PLNYORBVEGHYJR-BXUZGUMPSA-N 2 1 284.856 3.366 20 0 CGADMP Clc1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054141 393114687 /nfs/dbraw/zinc/11/46/87/393114687.db2.gz PLNYORBVEGHYJR-BXUZGUMPSA-N 2 1 284.856 3.366 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251190520 393117436 /nfs/dbraw/zinc/11/74/36/393117436.db2.gz SMVZLGNVZAKXRW-KKUMJFAQSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000415058311 393120435 /nfs/dbraw/zinc/12/04/35/393120435.db2.gz VISPIURDDKNNFX-CQSZACIVSA-N 2 1 291.826 3.351 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1c(C)noc1C ZINC000348343512 393121323 /nfs/dbraw/zinc/12/13/23/393121323.db2.gz IRLCBMZPMVHCOM-LSDHHAIUSA-N 2 1 279.428 3.207 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1c(C)noc1C ZINC000348343512 393121328 /nfs/dbraw/zinc/12/13/28/393121328.db2.gz IRLCBMZPMVHCOM-LSDHHAIUSA-N 2 1 279.428 3.207 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415060840 393122432 /nfs/dbraw/zinc/12/24/32/393122432.db2.gz ZAFPUIVQCNBOLP-YOEHRIQHSA-N 2 1 276.399 3.098 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415069616 393128265 /nfs/dbraw/zinc/12/82/65/393128265.db2.gz SPPLDVDBEFEDJJ-KRWDZBQOSA-N 2 1 276.424 3.081 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)s1)C1CCCC1 ZINC000415069386 393128374 /nfs/dbraw/zinc/12/83/74/393128374.db2.gz SKAGEQXPJILPPT-LLVKDONJSA-N 2 1 258.818 3.009 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415073415 393130277 /nfs/dbraw/zinc/13/02/77/393130277.db2.gz YKSQNRSBOVOMBE-UHFFFAOYSA-N 2 1 266.816 3.134 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000415088544 393140711 /nfs/dbraw/zinc/14/07/11/393140711.db2.gz VHDRYLGTMNCNMN-HNNXBMFYSA-N 2 1 268.351 3.148 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415129704 393153415 /nfs/dbraw/zinc/15/34/15/393153415.db2.gz PLOBGKDDRHYJCD-RDJZCZTQSA-N 2 1 290.451 3.282 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415129700 393154155 /nfs/dbraw/zinc/15/41/55/393154155.db2.gz PLOBGKDDRHYJCD-DOTOQJQBSA-N 2 1 290.451 3.282 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000415132418 393155424 /nfs/dbraw/zinc/15/54/24/393155424.db2.gz UEJUXZDLZGIBBZ-BFYDXBDKSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C[C@@H]1C[NH3+] ZINC000415133176 393155940 /nfs/dbraw/zinc/15/59/40/393155940.db2.gz UXWYOMJHLPUABY-BEFAXECRSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353497571 393223386 /nfs/dbraw/zinc/22/33/86/393223386.db2.gz PLMDGDUVGRTOQN-YIDVYQOGSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000353578426 393225550 /nfs/dbraw/zinc/22/55/50/393225550.db2.gz RHRBOIMCLCNFPC-WDEREUQCSA-N 2 1 254.340 3.036 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000353578426 393225553 /nfs/dbraw/zinc/22/55/53/393225553.db2.gz RHRBOIMCLCNFPC-WDEREUQCSA-N 2 1 254.340 3.036 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000268924983 393207773 /nfs/dbraw/zinc/20/77/73/393207773.db2.gz RELFGHYUABTTOF-DVOMOZLQSA-N 2 1 264.388 3.002 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278306123 393317253 /nfs/dbraw/zinc/31/72/53/393317253.db2.gz SKYOWWWQUAXRPT-QGZVFWFLSA-N 2 1 275.440 3.253 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000272743481 393265569 /nfs/dbraw/zinc/26/55/69/393265569.db2.gz NASSISABNBHPNB-UHFFFAOYSA-N 2 1 286.391 3.185 20 0 CGADMP Cc1ccoc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355232296 393273241 /nfs/dbraw/zinc/27/32/41/393273241.db2.gz BZOSPJPUHPMBAH-GOEBONIOSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355232296 393273246 /nfs/dbraw/zinc/27/32/46/393273246.db2.gz BZOSPJPUHPMBAH-GOEBONIOSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355232296 393273250 /nfs/dbraw/zinc/27/32/50/393273250.db2.gz BZOSPJPUHPMBAH-GOEBONIOSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355232296 393273254 /nfs/dbraw/zinc/27/32/54/393273254.db2.gz BZOSPJPUHPMBAH-GOEBONIOSA-N 2 1 274.408 3.037 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000474629012 393341361 /nfs/dbraw/zinc/34/13/61/393341361.db2.gz KWKSBWMBGYBAMS-CQSZACIVSA-N 2 1 278.415 3.210 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000474822643 393351125 /nfs/dbraw/zinc/35/11/25/393351125.db2.gz PTBZCDRRFGWAHF-LSDHHAIUSA-N 2 1 278.415 3.351 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420379977 393479977 /nfs/dbraw/zinc/47/99/77/393479977.db2.gz BXIDVHFCRFSVDN-WMZOPIPTSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000480600366 393435547 /nfs/dbraw/zinc/43/55/47/393435547.db2.gz IYBPCYIMOKMHRA-QLFBSQMISA-N 2 1 254.462 3.379 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC3CCCCC3)CC[C@@H]21 ZINC000483266784 393443199 /nfs/dbraw/zinc/44/31/99/393443199.db2.gz GCJVZGMOELFZBD-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]21 ZINC000483266784 393443202 /nfs/dbraw/zinc/44/32/02/393443202.db2.gz GCJVZGMOELFZBD-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000420279032 393448985 /nfs/dbraw/zinc/44/89/85/393448985.db2.gz JNBBGCIVIPAFSO-DGCLKSJQSA-N 2 1 289.810 3.240 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000420292271 393451902 /nfs/dbraw/zinc/45/19/02/393451902.db2.gz OYSBVJHTCDAQST-HWWQOWPSSA-N 2 1 278.827 3.387 20 0 CGADMP c1ccc(SC[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420295987 393452919 /nfs/dbraw/zinc/45/29/19/393452919.db2.gz CUJYLYKKRNKZPY-HOTGVXAUSA-N 2 1 290.476 3.100 20 0 CGADMP c1ccc(CCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420392019 393482423 /nfs/dbraw/zinc/48/24/23/393482423.db2.gz IUEWEAQOUOVYTR-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)C(C)C ZINC000420310072 393458874 /nfs/dbraw/zinc/45/88/74/393458874.db2.gz UUVOMLWDUZLSBP-ZBFHGGJFSA-N 2 1 278.440 3.104 20 0 CGADMP Fc1ccc(C[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420314653 393460809 /nfs/dbraw/zinc/46/08/09/393460809.db2.gz ZGYXHMOKQMEEPY-IAGOWNOFSA-N 2 1 290.426 3.080 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC3(C1)CC[NH2+]CC3)CCC2 ZINC000420312600 393461335 /nfs/dbraw/zinc/46/13/35/393461335.db2.gz SPWBSYBAACUDES-QGZVFWFLSA-N 2 1 288.410 3.279 20 0 CGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCF ZINC000420319637 393465820 /nfs/dbraw/zinc/46/58/20/393465820.db2.gz XZDDQOAVZFPJOJ-SJORKVTESA-N 2 1 278.415 3.018 20 0 CGADMP CCc1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420324010 393468117 /nfs/dbraw/zinc/46/81/17/393468117.db2.gz UWUAVIZJQNREMA-MRXNPFEDSA-N 2 1 272.436 3.213 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCCC(F)(F)F)C1CCCCC1 ZINC000420356895 393472661 /nfs/dbraw/zinc/47/26/61/393472661.db2.gz CXZCWFUFUAZAIX-GFCCVEGCSA-N 2 1 266.351 3.216 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420365251 393474479 /nfs/dbraw/zinc/47/44/79/393474479.db2.gz IWAGHCANUOJMEO-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420365251 393474486 /nfs/dbraw/zinc/47/44/86/393474486.db2.gz IWAGHCANUOJMEO-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429536144 393475902 /nfs/dbraw/zinc/47/59/02/393475902.db2.gz DZXLLDKGCSWYJQ-AEFFLSMTSA-N 2 1 274.452 3.424 20 0 CGADMP Cc1ccc(N2CCC([NH2+]C3CC(C(C)C)C3)CC2)[nH+]c1 ZINC000488425385 393508382 /nfs/dbraw/zinc/50/83/82/393508382.db2.gz QQCWSTUTMOHXDF-UHFFFAOYSA-N 2 1 287.451 3.383 20 0 CGADMP CC(C)C1CC([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000488430044 393509427 /nfs/dbraw/zinc/50/94/27/393509427.db2.gz JMKCDLWBXMXYKX-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C(C)C)C2)s1 ZINC000649604656 393510620 /nfs/dbraw/zinc/51/06/20/393510620.db2.gz QJZJNPFMSGEALE-AWEZNQCLSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C(C)C)C2)s1 ZINC000649604656 393510623 /nfs/dbraw/zinc/51/06/23/393510623.db2.gz QJZJNPFMSGEALE-AWEZNQCLSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C(C)C)C2)s1 ZINC000649604656 393510626 /nfs/dbraw/zinc/51/06/26/393510626.db2.gz QJZJNPFMSGEALE-AWEZNQCLSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C(C)C)C2)s1 ZINC000649604656 393510630 /nfs/dbraw/zinc/51/06/30/393510630.db2.gz QJZJNPFMSGEALE-AWEZNQCLSA-N 2 1 266.454 3.219 20 0 CGADMP CC(C)C1CC([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000488431018 393510836 /nfs/dbraw/zinc/51/08/36/393510836.db2.gz FRHNFJHKVZJZQD-QVOMUQBLSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000488431018 393510838 /nfs/dbraw/zinc/51/08/38/393510838.db2.gz FRHNFJHKVZJZQD-QVOMUQBLSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000488441666 393513870 /nfs/dbraw/zinc/51/38/70/393513870.db2.gz CWUGKEJDBFAXEK-AQFXKWCLSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000488441666 393513877 /nfs/dbraw/zinc/51/38/77/393513877.db2.gz CWUGKEJDBFAXEK-AQFXKWCLSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000488447745 393516628 /nfs/dbraw/zinc/51/66/28/393516628.db2.gz KMEANAOMVBLONI-QQFBHYJXSA-N 2 1 252.446 3.131 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(C(C)C)C2)[C@H](C)C1 ZINC000488448971 393518297 /nfs/dbraw/zinc/51/82/97/393518297.db2.gz MMLVHIDJOXFPKS-AQEOSJORSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc[nH+]1 ZINC000358151495 393520488 /nfs/dbraw/zinc/52/04/88/393520488.db2.gz ODEIZRULTWTZQU-HLLBOEOZSA-N 2 1 273.424 3.232 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430124707 393526708 /nfs/dbraw/zinc/52/67/08/393526708.db2.gz LLAMPSVIOGSNEC-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430124707 393526709 /nfs/dbraw/zinc/52/67/09/393526709.db2.gz LLAMPSVIOGSNEC-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430124707 393526711 /nfs/dbraw/zinc/52/67/11/393526711.db2.gz LLAMPSVIOGSNEC-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP CC(C)[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccnc1 ZINC000359056364 393534804 /nfs/dbraw/zinc/53/48/04/393534804.db2.gz QDLZVZKONCDKAY-ABHNRTSZSA-N 2 1 287.451 3.385 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430560833 393574435 /nfs/dbraw/zinc/57/44/35/393574435.db2.gz XNSPAKDMGIMAQS-QWHCGFSZSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430565495 393577012 /nfs/dbraw/zinc/57/70/12/393577012.db2.gz AMPXUJKYNBCNBV-DZGCQCFKSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000666770863 542814858 /nfs/dbraw/zinc/81/48/58/542814858.db2.gz WHQCZAYGQQQOQR-IUODEOHRSA-N 2 1 266.816 3.175 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000430707471 393589478 /nfs/dbraw/zinc/58/94/78/393589478.db2.gz GONVLDYIIRGNBS-NUEKZKHPSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432415795 393610966 /nfs/dbraw/zinc/61/09/66/393610966.db2.gz DMELEPDDQLXIGP-DLBZAZTESA-N 2 1 282.472 3.212 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432415795 393610969 /nfs/dbraw/zinc/61/09/69/393610969.db2.gz DMELEPDDQLXIGP-DLBZAZTESA-N 2 1 282.472 3.212 20 0 CGADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432438797 393613745 /nfs/dbraw/zinc/61/37/45/393613745.db2.gz CMDNZZKBOLTMCR-KZNAEPCWSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccncc1 ZINC000423262232 393656857 /nfs/dbraw/zinc/65/68/57/393656857.db2.gz MBGFPIDSNRDHOD-HOTGVXAUSA-N 2 1 261.413 3.030 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490844127 393657428 /nfs/dbraw/zinc/65/74/28/393657428.db2.gz BZELKIHXERYBFZ-OAHLLOKOSA-N 2 1 297.446 3.496 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2Br ZINC000423269011 393657890 /nfs/dbraw/zinc/65/78/90/393657890.db2.gz GTTOQXZMFKRPHB-KBPBESRZSA-N 2 1 297.240 3.009 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000443063711 393740362 /nfs/dbraw/zinc/74/03/62/393740362.db2.gz WYRJFPAFKQDZQI-HNNXBMFYSA-N 2 1 280.843 3.333 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425363499 393693726 /nfs/dbraw/zinc/69/37/26/393693726.db2.gz WLAZWCDJQGFCTR-LUYZLQTOSA-N 2 1 282.497 3.123 20 0 CGADMP CC[C@H](Nc1cc2c(cn1)CCCC2)c1nccn1C ZINC000361187946 393698133 /nfs/dbraw/zinc/69/81/33/393698133.db2.gz JYIKDRLYTRNUHV-AWEZNQCLSA-N 2 1 270.380 3.257 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000444750779 393791392 /nfs/dbraw/zinc/79/13/92/393791392.db2.gz JNCPMEXAZILPTB-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000444750779 393791395 /nfs/dbraw/zinc/79/13/95/393791395.db2.gz JNCPMEXAZILPTB-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000444750779 393791403 /nfs/dbraw/zinc/79/14/03/393791403.db2.gz JNCPMEXAZILPTB-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[NH+]1CCCC1 ZINC000502269754 393871806 /nfs/dbraw/zinc/87/18/06/393871806.db2.gz PPWSJRLRUHPUBL-TWMKSMIVSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2c1C ZINC000449559164 393902767 /nfs/dbraw/zinc/90/27/67/393902767.db2.gz BEJJXHWLVAOQHI-ZXFUBFMLSA-N 2 1 297.446 3.500 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450473080 393997930 /nfs/dbraw/zinc/99/79/30/393997930.db2.gz YSLPLZIZXVGJTF-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000453067350 394159024 /nfs/dbraw/zinc/15/90/24/394159024.db2.gz AHLPHEGOGWQYHR-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453103938 394172325 /nfs/dbraw/zinc/17/23/25/394172325.db2.gz YEOMNZMXBDWQHX-SJLPKXTDSA-N 2 1 289.467 3.114 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453389357 394228003 /nfs/dbraw/zinc/22/80/03/394228003.db2.gz CEQRSEANTMUECQ-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(F)c1F ZINC000453390076 394228221 /nfs/dbraw/zinc/22/82/21/394228221.db2.gz CWABHUUKSXGRFP-LBPRGKRZSA-N 2 1 282.378 3.490 20 0 CGADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453393315 394229857 /nfs/dbraw/zinc/22/98/57/394229857.db2.gz FYXUXXACZDTBQJ-KBXCAEBGSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000453435542 394245280 /nfs/dbraw/zinc/24/52/80/394245280.db2.gz UOAFJRAEMULMOX-ZDUSSCGKSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000453453651 394247205 /nfs/dbraw/zinc/24/72/05/394247205.db2.gz SYDLKPRTUWCQIL-CQJMVSDSSA-N 2 1 252.446 3.129 20 0 CGADMP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000453616065 394260026 /nfs/dbraw/zinc/26/00/26/394260026.db2.gz RKCVAHHRPVGFAM-HOTGVXAUSA-N 2 1 261.413 3.062 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000453598083 394253339 /nfs/dbraw/zinc/25/33/39/394253339.db2.gz PEIFCTYNQTVJRZ-UHFFFAOYSA-N 2 1 298.434 3.041 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453603292 394255434 /nfs/dbraw/zinc/25/54/34/394255434.db2.gz XCFKHPHCYHCOQR-CLFYSBASSA-N 2 1 288.435 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccncc3s2)CC[N@@H+]1C ZINC000667667949 542912901 /nfs/dbraw/zinc/91/29/01/542912901.db2.gz ZKYUEASJVWCFEQ-TZMCWYRMSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccncc3s2)CC[N@H+]1C ZINC000667667949 542912904 /nfs/dbraw/zinc/91/29/04/542912904.db2.gz ZKYUEASJVWCFEQ-TZMCWYRMSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccncc3s2)CC[NH+]1C ZINC000667667949 542912907 /nfs/dbraw/zinc/91/29/07/542912907.db2.gz ZKYUEASJVWCFEQ-TZMCWYRMSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccncc3s2)CC[NH+]1C ZINC000667667949 542912909 /nfs/dbraw/zinc/91/29/09/542912909.db2.gz ZKYUEASJVWCFEQ-TZMCWYRMSA-N 2 1 289.448 3.211 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccncc2s1 ZINC000668100556 542970730 /nfs/dbraw/zinc/97/07/30/542970730.db2.gz QAIINQPOHWKCRU-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccncc2s1 ZINC000668100556 542970734 /nfs/dbraw/zinc/97/07/34/542970734.db2.gz QAIINQPOHWKCRU-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP Cc1cccc2[nH]c(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc21 ZINC000668194886 542985733 /nfs/dbraw/zinc/98/57/33/542985733.db2.gz RTVHNECGSNTNQU-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]c(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc21 ZINC000668194886 542985736 /nfs/dbraw/zinc/98/57/36/542985736.db2.gz RTVHNECGSNTNQU-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc21 ZINC000668194886 542985739 /nfs/dbraw/zinc/98/57/39/542985739.db2.gz RTVHNECGSNTNQU-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc21 ZINC000668194886 542985742 /nfs/dbraw/zinc/98/57/42/542985742.db2.gz RTVHNECGSNTNQU-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819927 543066503 /nfs/dbraw/zinc/06/65/03/543066503.db2.gz QQQDBOUXOKSZHI-NVXWUHKLSA-N 2 1 266.473 3.380 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000670267823 543148671 /nfs/dbraw/zinc/14/86/71/543148671.db2.gz VETIARCUXBZUEC-HNNXBMFYSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)(C)C ZINC000670268624 543149532 /nfs/dbraw/zinc/14/95/32/543149532.db2.gz VAVYQMXFRXIGOO-MRXNPFEDSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000671754442 543186224 /nfs/dbraw/zinc/18/62/24/543186224.db2.gz QQGCPPIHUUIPBO-YOHUBWIESA-N 2 1 294.483 3.185 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916407 397609911 /nfs/dbraw/zinc/60/99/11/397609911.db2.gz GZMBDKNVANECFH-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1)C1CC1 ZINC000419722842 397700154 /nfs/dbraw/zinc/70/01/54/397700154.db2.gz BWBZGWZNKDHDLF-UHFFFAOYSA-N 2 1 298.434 3.041 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cscc2Cl)[C@@H]1CC[NH3+] ZINC000650711564 397898904 /nfs/dbraw/zinc/89/89/04/397898904.db2.gz XJMYGYZUGQSVAV-ZWNOBZJWSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cscc2Cl)[C@@H]1CC[NH3+] ZINC000650711564 397898906 /nfs/dbraw/zinc/89/89/06/397898906.db2.gz XJMYGYZUGQSVAV-ZWNOBZJWSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)[C@@H]1CC[NH3+] ZINC000650710942 397899181 /nfs/dbraw/zinc/89/91/81/397899181.db2.gz DGALQOMNFRKOGN-IUODEOHRSA-N 2 1 298.377 3.237 20 0 CGADMP CC[C@H](OCC[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000650742492 397905171 /nfs/dbraw/zinc/90/51/71/397905171.db2.gz YWGRKDDHQDGYCF-KDOFPFPSSA-N 2 1 299.418 3.313 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000674677472 543293036 /nfs/dbraw/zinc/29/30/36/543293036.db2.gz YUYPYQSWTDUWTO-GOSISDBHSA-N 2 1 283.419 3.461 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000675795393 543365795 /nfs/dbraw/zinc/36/57/95/543365795.db2.gz TVWYXXNFMXLDDM-ZWKOTPCHSA-N 2 1 283.419 3.193 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1cccs1 ZINC000675816770 543366973 /nfs/dbraw/zinc/36/69/73/543366973.db2.gz KVIOEPQFYFTKQO-CHWSQXEVSA-N 2 1 277.437 3.110 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000675812134 543367255 /nfs/dbraw/zinc/36/72/55/543367255.db2.gz IKIJSKQXJYYWSO-SFHVURJKSA-N 2 1 287.451 3.387 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCc2ccccc2)[C@H](C)C1 ZINC000675736593 543359220 /nfs/dbraw/zinc/35/92/20/543359220.db2.gz XENIYFYCNFCEPZ-AEFFLSMTSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)(C)OCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712125 543411750 /nfs/dbraw/zinc/41/17/50/543411750.db2.gz GCNYLENPFWUUIR-DOTOQJQBSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)(C)OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712125 543411752 /nfs/dbraw/zinc/41/17/52/543411752.db2.gz GCNYLENPFWUUIR-DOTOQJQBSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)(C)OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676712125 543411753 /nfs/dbraw/zinc/41/17/53/543411753.db2.gz GCNYLENPFWUUIR-DOTOQJQBSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677240035 543441413 /nfs/dbraw/zinc/44/14/13/543441413.db2.gz DMWOGQURYHCRNT-ROUUACIJSA-N 2 1 286.463 3.489 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678120903 543484818 /nfs/dbraw/zinc/48/48/18/543484818.db2.gz KUOGMSDUSKKFOT-OAHLLOKOSA-N 2 1 276.424 3.001 20 0 CGADMP CCCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678120210 543485190 /nfs/dbraw/zinc/48/51/90/543485190.db2.gz BQUOIYYPUOLBKC-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CCC[C@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678141217 543487558 /nfs/dbraw/zinc/48/75/58/543487558.db2.gz SDSWEWJUGIDHAH-HNNXBMFYSA-N 2 1 278.440 3.247 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000678156154 543490217 /nfs/dbraw/zinc/49/02/17/543490217.db2.gz RLWCQPFYFQAKHP-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678077542 543481851 /nfs/dbraw/zinc/48/18/51/543481851.db2.gz UQZBGHKKPSVCRD-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678077542 543481853 /nfs/dbraw/zinc/48/18/53/543481853.db2.gz UQZBGHKKPSVCRD-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678077542 543481855 /nfs/dbraw/zinc/48/18/55/543481855.db2.gz UQZBGHKKPSVCRD-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C)n1 ZINC000678282177 543510561 /nfs/dbraw/zinc/51/05/61/543510561.db2.gz OQFNIBLKNJXUMQ-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC000678591920 543539361 /nfs/dbraw/zinc/53/93/61/543539361.db2.gz TZNPKSVHPLXSPC-MDZRGWNJSA-N 2 1 286.463 3.111 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678598180 543540810 /nfs/dbraw/zinc/54/08/10/543540810.db2.gz CBMGBOYZICMRIC-IRXDYDNUSA-N 2 1 272.436 3.062 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC000423231177 292260141 /nfs/dbraw/zinc/26/01/41/292260141.db2.gz FYALCOJIBGDOOD-IAGOWNOFSA-N 2 1 258.409 3.178 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC[N@@H+]1C ZINC000679017737 543583354 /nfs/dbraw/zinc/58/33/54/543583354.db2.gz YPLSEVQAADYDIO-XJKSGUPXSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC[N@H+]1C ZINC000679017737 543583357 /nfs/dbraw/zinc/58/33/57/543583357.db2.gz YPLSEVQAADYDIO-XJKSGUPXSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cncs1 ZINC000359932817 287022944 /nfs/dbraw/zinc/02/29/44/287022944.db2.gz HIIDCQPZJRTKCK-UONOGXRCSA-N 2 1 281.469 3.306 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C12CCCCC2 ZINC000087299932 287085227 /nfs/dbraw/zinc/08/52/27/287085227.db2.gz HJCCNEUPBRKHSI-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000080426637 165153516 /nfs/dbraw/zinc/15/35/16/165153516.db2.gz RZIGVCJDIYRSEV-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000091957372 165279648 /nfs/dbraw/zinc/27/96/48/165279648.db2.gz SOVQROBWRDGQRM-IACUBPJLSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000091957372 165279651 /nfs/dbraw/zinc/27/96/51/165279651.db2.gz SOVQROBWRDGQRM-IACUBPJLSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cn1 ZINC000092195415 165288220 /nfs/dbraw/zinc/28/82/20/165288220.db2.gz NZEDAZQMBYNCOC-LLVKDONJSA-N 2 1 279.403 3.181 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066977 287110490 /nfs/dbraw/zinc/11/04/90/287110490.db2.gz RJJPMMLKEPSRDP-NVXWUHKLSA-N 2 1 264.457 3.371 20 0 CGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066977 287110493 /nfs/dbraw/zinc/11/04/93/287110493.db2.gz RJJPMMLKEPSRDP-NVXWUHKLSA-N 2 1 264.457 3.371 20 0 CGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066977 287110495 /nfs/dbraw/zinc/11/04/95/287110495.db2.gz RJJPMMLKEPSRDP-NVXWUHKLSA-N 2 1 264.457 3.371 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769911 287119214 /nfs/dbraw/zinc/11/92/14/287119214.db2.gz VMKZVGIPGJYYAP-KRWDZBQOSA-N 2 1 274.452 3.385 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769911 287119217 /nfs/dbraw/zinc/11/92/17/287119217.db2.gz VMKZVGIPGJYYAP-KRWDZBQOSA-N 2 1 274.452 3.385 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769911 287119218 /nfs/dbraw/zinc/11/92/18/287119218.db2.gz VMKZVGIPGJYYAP-KRWDZBQOSA-N 2 1 274.452 3.385 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)C ZINC000093337028 287115570 /nfs/dbraw/zinc/11/55/70/287115570.db2.gz IAZIUPZRMRXJHF-KRWDZBQOSA-N 2 1 274.452 3.486 20 0 CGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000093337028 287115571 /nfs/dbraw/zinc/11/55/71/287115571.db2.gz IAZIUPZRMRXJHF-KRWDZBQOSA-N 2 1 274.452 3.486 20 0 CGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000093337028 287115572 /nfs/dbraw/zinc/11/55/72/287115572.db2.gz IAZIUPZRMRXJHF-KRWDZBQOSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1OC ZINC000093406345 287116282 /nfs/dbraw/zinc/11/62/82/287116282.db2.gz FYFJGNJEEVMUMK-WBVHZDCISA-N 2 1 290.451 3.386 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000116387887 287157176 /nfs/dbraw/zinc/15/71/76/287157176.db2.gz BODXXYQSGHSKCR-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000116387887 287157178 /nfs/dbraw/zinc/15/71/78/287157178.db2.gz BODXXYQSGHSKCR-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000122375639 287208983 /nfs/dbraw/zinc/20/89/83/287208983.db2.gz BZIURYLEUFLWFS-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000124637108 287235747 /nfs/dbraw/zinc/23/57/47/287235747.db2.gz HFXJKVXJHVQNBF-IBGZPJMESA-N 2 1 286.463 3.425 20 0 CGADMP C[N@@H+](CCC[NH2+]C[C@@H]1CC=CCC1)Cc1ccccc1 ZINC000021010293 171286675 /nfs/dbraw/zinc/28/66/75/171286675.db2.gz VQWDPYXLGUNYTC-QGZVFWFLSA-N 2 1 272.436 3.454 20 0 CGADMP CC(C)[C@H](C[NH2+]C[C@H]1CC=CCC1)[NH+]1CCCC1 ZINC000021819473 171334232 /nfs/dbraw/zinc/33/42/32/171334232.db2.gz HBOMNUXKMFKDAM-HOTGVXAUSA-N 2 1 250.430 3.053 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000285569634 196330024 /nfs/dbraw/zinc/33/00/24/196330024.db2.gz GMMZDDRXIFCKSP-GRDNDAEWSA-N 2 1 292.492 3.368 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000285569630 196330465 /nfs/dbraw/zinc/33/04/65/196330465.db2.gz GMMZDDRXIFCKSP-CKEIUWERSA-N 2 1 292.492 3.368 20 0 CGADMP Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000040669925 174368448 /nfs/dbraw/zinc/36/84/48/174368448.db2.gz VNMWAOWJWVHMIK-MLGOLLRUSA-N 2 1 276.428 3.016 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(C(C)C)c(C)c2)C1 ZINC000071145274 176042114 /nfs/dbraw/zinc/04/21/14/176042114.db2.gz WHDMHFNTQFQBNJ-INIZCTEOSA-N 2 1 290.451 3.039 20 0 CGADMP c1ccc([C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000050954357 416479116 /nfs/dbraw/zinc/47/91/16/416479116.db2.gz RWLLAXOWSIDXSG-SFHVURJKSA-N 2 1 272.436 3.256 20 0 CGADMP C[C@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000311145324 416532276 /nfs/dbraw/zinc/53/22/76/416532276.db2.gz URNFPDVWKMWBAN-BBRMVZONSA-N 2 1 250.430 3.172 20 0 CGADMP C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)CC1CCOCC1 ZINC000313814414 416536639 /nfs/dbraw/zinc/53/66/39/416536639.db2.gz SEIWGASVYRLTGF-MSOLQXFVSA-N 2 1 294.483 3.047 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000314675246 416537215 /nfs/dbraw/zinc/53/72/15/416537215.db2.gz GVPYTZIIRWEWQS-ZWKOTPCHSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000085098382 416495952 /nfs/dbraw/zinc/49/59/52/416495952.db2.gz MCEMWPAKSYOCDX-XJKCOSOUSA-N 2 1 250.430 3.028 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000122344606 416504333 /nfs/dbraw/zinc/50/43/33/416504333.db2.gz BHJYPNVJEQLRNY-WBVHZDCISA-N 2 1 276.424 3.035 20 0 CGADMP C[C@]1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000679043454 543586267 /nfs/dbraw/zinc/58/62/67/543586267.db2.gz IJOZBKJDTXZRNZ-LMMKCTJWSA-N 2 1 284.447 3.455 20 0 CGADMP CC(C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679722219 543658700 /nfs/dbraw/zinc/65/87/00/543658700.db2.gz ZNEGMWSZZOKIJE-OKZBNKHCSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000681412986 543788258 /nfs/dbraw/zinc/78/82/58/543788258.db2.gz YDBANPMFBWQDSM-IJEWVQPXSA-N 2 1 263.429 3.386 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1CCCCCC1 ZINC000132205847 287399269 /nfs/dbraw/zinc/39/92/69/287399269.db2.gz WDHFGHZZVCMRRD-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000684373109 543987598 /nfs/dbraw/zinc/98/75/98/543987598.db2.gz RUVXJOPRAIJHOW-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000684373109 543987599 /nfs/dbraw/zinc/98/75/99/543987599.db2.gz RUVXJOPRAIJHOW-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2CCN3CCC2CC3)C1 ZINC000685458588 544073326 /nfs/dbraw/zinc/07/33/26/544073326.db2.gz YEXVYKSTDWFAKM-RTBURBONSA-N 2 1 284.447 3.277 20 0 CGADMP CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685471204 544079274 /nfs/dbraw/zinc/07/92/74/544079274.db2.gz XAXRCKSJVZUJDD-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000355033987 227330313 /nfs/dbraw/zinc/33/03/13/227330313.db2.gz DNQIRIIOULJUND-UHFFFAOYSA-N 2 1 276.399 3.194 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1 ZINC000652220505 418937350 /nfs/dbraw/zinc/93/73/50/418937350.db2.gz BRAZKJYWZKHCFL-HNNXBMFYSA-N 2 1 278.440 3.324 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222842 418938941 /nfs/dbraw/zinc/93/89/41/418938941.db2.gz ZFSFKUKAHHWOCR-CYBMUJFWSA-N 2 1 284.469 3.385 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222842 418938943 /nfs/dbraw/zinc/93/89/43/418938943.db2.gz ZFSFKUKAHHWOCR-CYBMUJFWSA-N 2 1 284.469 3.385 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000652356273 418957087 /nfs/dbraw/zinc/95/70/87/418957087.db2.gz ZEJZSPJGCYLMGG-VXGBXAGGSA-N 2 1 266.351 3.168 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362647 418958338 /nfs/dbraw/zinc/95/83/38/418958338.db2.gz MFVSXMUUWZGKDO-ARFHVFGLSA-N 2 1 282.472 3.174 20 0 CGADMP C[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2)CC[N@H+]1C ZINC000653464651 419030150 /nfs/dbraw/zinc/03/01/50/419030150.db2.gz FVGUYJFOORVPMR-WBMJQRKESA-N 2 1 255.365 3.129 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000659924081 419033088 /nfs/dbraw/zinc/03/30/88/419033088.db2.gz BDWVPISYCAYNJR-ZDUSSCGKSA-N 2 1 298.883 3.316 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000659924081 419033092 /nfs/dbraw/zinc/03/30/92/419033092.db2.gz BDWVPISYCAYNJR-ZDUSSCGKSA-N 2 1 298.883 3.316 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237437 419088663 /nfs/dbraw/zinc/08/86/63/419088663.db2.gz AUTSWJKFUOVVCM-HUUCEWRRSA-N 2 1 272.417 3.385 20 0 CGADMP CC1CCC(C)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655765138 419090310 /nfs/dbraw/zinc/09/03/10/419090310.db2.gz ZLCUFNIAIQECNC-NXYGQSRBSA-N 2 1 294.483 3.046 20 0 CGADMP CSc1cccc(CN2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000660167102 419092507 /nfs/dbraw/zinc/09/25/07/419092507.db2.gz MHVMJNHCBHSJLG-UHFFFAOYSA-N 2 1 290.476 3.469 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCC1)CCCO2 ZINC000665248742 419092760 /nfs/dbraw/zinc/09/27/60/419092760.db2.gz BODJEJSRSXGCNP-OAHLLOKOSA-N 2 1 274.408 3.070 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1OC(F)F ZINC000665248814 419092871 /nfs/dbraw/zinc/09/28/71/419092871.db2.gz CXNDUZWOWJQWNT-LLVKDONJSA-N 2 1 284.350 3.210 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250470 419092980 /nfs/dbraw/zinc/09/29/80/419092980.db2.gz RZCVNNNOKPKEPA-XOSAIJSUSA-N 2 1 260.425 3.156 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256640 419094721 /nfs/dbraw/zinc/09/47/21/419094721.db2.gz HXVONQGMDSJLNB-MJSCVDMRSA-N 2 1 290.451 3.165 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258916 419094899 /nfs/dbraw/zinc/09/48/99/419094899.db2.gz OZPBMEFLAOQLKV-VDNDLQMASA-N 2 1 276.399 3.049 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655773912 419094867 /nfs/dbraw/zinc/09/48/67/419094867.db2.gz KSKQJDZEBHCFQG-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655773914 419095001 /nfs/dbraw/zinc/09/50/01/419095001.db2.gz KSKQJDZEBHCFQG-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP COc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1C ZINC000665294512 419107282 /nfs/dbraw/zinc/10/72/82/419107282.db2.gz QBIFKNROHPOMIF-QAPCUYQASA-N 2 1 298.430 3.052 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000665298199 419110802 /nfs/dbraw/zinc/11/08/02/419110802.db2.gz TYKBKWHLLWILSI-NOLJZWGESA-N 2 1 280.843 3.249 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000659983110 419051714 /nfs/dbraw/zinc/05/17/14/419051714.db2.gz DPFAXOUMTZTHOE-MJBXVCDLSA-N 2 1 276.415 3.472 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000659983110 419051719 /nfs/dbraw/zinc/05/17/19/419051719.db2.gz DPFAXOUMTZTHOE-MJBXVCDLSA-N 2 1 276.415 3.472 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000659983110 419051723 /nfs/dbraw/zinc/05/17/23/419051723.db2.gz DPFAXOUMTZTHOE-MJBXVCDLSA-N 2 1 276.415 3.472 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(SC)c2)CC1 ZINC000659983225 419052749 /nfs/dbraw/zinc/05/27/49/419052749.db2.gz HHEPQWUNZCMROA-UHFFFAOYSA-N 2 1 278.465 3.325 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(SC)c2)CC1 ZINC000659983225 419052752 /nfs/dbraw/zinc/05/27/52/419052752.db2.gz HHEPQWUNZCMROA-UHFFFAOYSA-N 2 1 278.465 3.325 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C)C1 ZINC000660081182 419072623 /nfs/dbraw/zinc/07/26/23/419072623.db2.gz FUWFBNLWBMNIOA-MTSZKFMLSA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C)C1 ZINC000660081182 419072628 /nfs/dbraw/zinc/07/26/28/419072628.db2.gz FUWFBNLWBMNIOA-MTSZKFMLSA-N 2 1 264.457 3.085 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C)C1 ZINC000660081182 419072632 /nfs/dbraw/zinc/07/26/32/419072632.db2.gz FUWFBNLWBMNIOA-MTSZKFMLSA-N 2 1 264.457 3.085 20 0 CGADMP C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000655948710 419129301 /nfs/dbraw/zinc/12/93/01/419129301.db2.gz AGFLKZUVHCSBFO-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)(CC[NH2+][C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000655941126 419129810 /nfs/dbraw/zinc/12/98/10/419129810.db2.gz MRXMZMLRVCBWJD-OAHLLOKOSA-N 2 1 252.446 3.310 20 0 CGADMP Cc1[nH]c2nc[nH+]c(NCCc3ncc(C)cc3C)c2c1C ZINC000656210650 419151155 /nfs/dbraw/zinc/15/11/55/419151155.db2.gz CLXCRNLNIZKMGL-UHFFFAOYSA-N 2 1 295.390 3.241 20 0 CGADMP COc1cccc2c(NC[C@H]3C[C@@H]([NH+](C)C)C3)cc(C)[nH+]c12 ZINC000656211270 419152271 /nfs/dbraw/zinc/15/22/71/419152271.db2.gz AKOGEUXAHAHVIW-OKILXGFUSA-N 2 1 299.418 3.304 20 0 CGADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2nccn2C)c1 ZINC000656371796 419167927 /nfs/dbraw/zinc/16/79/27/419167927.db2.gz VHPVFMNJBUWCFR-ZDUSSCGKSA-N 2 1 255.365 3.071 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)s1 ZINC000660653822 419176479 /nfs/dbraw/zinc/17/64/79/419176479.db2.gz BKPPWUUXVIUGHQ-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)s1 ZINC000660653822 419176481 /nfs/dbraw/zinc/17/64/81/419176481.db2.gz BKPPWUUXVIUGHQ-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)s1 ZINC000660653822 419176484 /nfs/dbraw/zinc/17/64/84/419176484.db2.gz BKPPWUUXVIUGHQ-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccsc1Cl)C2 ZINC000660665161 419178745 /nfs/dbraw/zinc/17/87/45/419178745.db2.gz UYVMZSCNELFAJT-CQSZACIVSA-N 2 1 284.856 3.319 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660662357 419179369 /nfs/dbraw/zinc/17/93/69/419179369.db2.gz IWGQHBJJRQFGGY-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660662357 419179373 /nfs/dbraw/zinc/17/93/73/419179373.db2.gz IWGQHBJJRQFGGY-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660662357 419179375 /nfs/dbraw/zinc/17/93/75/419179375.db2.gz IWGQHBJJRQFGGY-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660665604 419180087 /nfs/dbraw/zinc/18/00/87/419180087.db2.gz WTRKPFLSQFYTJJ-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCc1ccsc1)C2 ZINC000660665094 419180131 /nfs/dbraw/zinc/18/01/31/419180131.db2.gz UBRBCRMFCVCNHF-INIZCTEOSA-N 2 1 278.465 3.098 20 0 CGADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000656637258 419187680 /nfs/dbraw/zinc/18/76/80/419187680.db2.gz AXSNNNMVWHSGDB-UHFFFAOYSA-N 2 1 294.826 3.065 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000666172116 419194137 /nfs/dbraw/zinc/19/41/37/419194137.db2.gz CLUIRPDDBKVXEU-GOEBONIOSA-N 2 1 275.440 3.081 20 0 CGADMP CC(C)n1ccnc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000657311257 419247555 /nfs/dbraw/zinc/24/75/55/419247555.db2.gz IOPHJJZRNANKRJ-MRXNPFEDSA-N 2 1 292.471 3.208 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657324910 419250960 /nfs/dbraw/zinc/25/09/60/419250960.db2.gz HQHXNLNLTXCHOG-ZDUSSCGKSA-N 2 1 289.448 3.118 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000657331181 419251715 /nfs/dbraw/zinc/25/17/15/419251715.db2.gz RGABLRHKAQCZKN-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc21 ZINC000657375921 419264306 /nfs/dbraw/zinc/26/43/06/419264306.db2.gz MAFNUPZAATVFBB-ZIAGYGMSSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc21 ZINC000657375921 419264309 /nfs/dbraw/zinc/26/43/09/419264309.db2.gz MAFNUPZAATVFBB-ZIAGYGMSSA-N 2 1 271.408 3.049 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786992 419219545 /nfs/dbraw/zinc/21/95/45/419219545.db2.gz ZAYUSQNTQHLTLM-KYLNKMBASA-N 2 1 284.447 3.411 20 0 CGADMP C[C@@]1(C[N@H+]2CCCC3(CCCC3)CC2)CC[NH2+]C1 ZINC000656787878 419220034 /nfs/dbraw/zinc/22/00/34/419220034.db2.gz YADCJKWYUDFGQY-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP CC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000656789371 419220672 /nfs/dbraw/zinc/22/06/72/419220672.db2.gz WVYDQXCKJHMKBP-AXAPSJFSSA-N 2 1 282.378 3.046 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000657626334 419316560 /nfs/dbraw/zinc/31/65/60/419316560.db2.gz JMGOTMBFUWFCOZ-ZWKOTPCHSA-N 2 1 272.436 3.062 20 0 CGADMP c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970992 419317687 /nfs/dbraw/zinc/31/76/87/419317687.db2.gz GVJRALYGFNJNTO-FGYAAKKASA-N 2 1 296.458 3.370 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661970992 419317688 /nfs/dbraw/zinc/31/76/88/419317688.db2.gz GVJRALYGFNJNTO-FGYAAKKASA-N 2 1 296.458 3.370 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661970992 419317690 /nfs/dbraw/zinc/31/76/90/419317690.db2.gz GVJRALYGFNJNTO-FGYAAKKASA-N 2 1 296.458 3.370 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)CC[N@@H+]1Cc1ccccc1 ZINC000657654750 419319720 /nfs/dbraw/zinc/31/97/20/419319720.db2.gz ZUEYKVRBQLZVOU-LPHOPBHVSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)CC[N@H+]1Cc1ccccc1 ZINC000657654750 419319722 /nfs/dbraw/zinc/31/97/22/419319722.db2.gz ZUEYKVRBQLZVOU-LPHOPBHVSA-N 2 1 298.430 3.465 20 0 CGADMP FC1(F)CC12CCC([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000657716419 419332612 /nfs/dbraw/zinc/33/26/12/419332612.db2.gz IOUDKLPTCIMDNF-GQKFXUNGSA-N 2 1 284.394 3.171 20 0 CGADMP CCCCC[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662319007 419390612 /nfs/dbraw/zinc/39/06/12/419390612.db2.gz IVWRDVWFGWAXBK-ZDUSSCGKSA-N 2 1 294.443 3.198 20 0 CGADMP CCCCC[C@H]1CCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662319007 419390617 /nfs/dbraw/zinc/39/06/17/419390617.db2.gz IVWRDVWFGWAXBK-ZDUSSCGKSA-N 2 1 294.443 3.198 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CCCC1 ZINC000662315295 419390665 /nfs/dbraw/zinc/39/06/65/419390665.db2.gz RFBOVDMHKYNQKB-DJIMGWMZSA-N 2 1 282.472 3.031 20 0 CGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000662319958 419390755 /nfs/dbraw/zinc/39/07/55/419390755.db2.gz RGYCIEALZIWHNB-USXIJHARSA-N 2 1 290.451 3.391 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@]1(c2ccccc2)CC1(C)C ZINC000662340835 419394247 /nfs/dbraw/zinc/39/42/47/419394247.db2.gz NLKJCZUWNOWGDV-SFHVURJKSA-N 2 1 283.419 3.268 20 0 CGADMP CCOC1CCC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000657874040 419399265 /nfs/dbraw/zinc/39/92/65/419399265.db2.gz XWQIVUDIQGZVOX-KLAILNCOSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662245652 419373340 /nfs/dbraw/zinc/37/33/40/419373340.db2.gz NHIJZWJIJQNGHT-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](C[C@@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263866 419375739 /nfs/dbraw/zinc/37/57/39/419375739.db2.gz FZLFAYUUNXZFOG-LSVZVQIISA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657830298 419376256 /nfs/dbraw/zinc/37/62/56/419376256.db2.gz HMAGJSQOVMKKGC-LBPRGKRZSA-N 2 1 285.382 3.400 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657830298 419376263 /nfs/dbraw/zinc/37/62/63/419376263.db2.gz HMAGJSQOVMKKGC-LBPRGKRZSA-N 2 1 285.382 3.400 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264363 419376331 /nfs/dbraw/zinc/37/63/31/419376331.db2.gz JGRFYSUQAQETKP-BVIKNXMNSA-N 2 1 272.436 3.239 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)C[C@@H]21 ZINC000662267259 419377065 /nfs/dbraw/zinc/37/70/65/419377065.db2.gz TZNAFMAXNYUQKM-ZAWLATJESA-N 2 1 284.447 3.166 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+]1CCCC1 ZINC000657834061 419378746 /nfs/dbraw/zinc/37/87/46/419378746.db2.gz YWYJNDSIUNSIMR-VXGBXAGGSA-N 2 1 262.388 3.130 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(C)C)c2)CC[C@@H]1[NH3+] ZINC000662269627 419378901 /nfs/dbraw/zinc/37/89/01/419378901.db2.gz BKQGJMARONGRAW-WBVHZDCISA-N 2 1 260.425 3.369 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000657835873 419379235 /nfs/dbraw/zinc/37/92/35/419379235.db2.gz OYJGBOCEXDYPCC-ILXRZTDVSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCCSCC1)[N@H+]1CCCC[C@H]1C ZINC000657835873 419379240 /nfs/dbraw/zinc/37/92/40/419379240.db2.gz OYJGBOCEXDYPCC-ILXRZTDVSA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CC[C@@H]1[NH3+] ZINC000662271258 419380362 /nfs/dbraw/zinc/38/03/62/419380362.db2.gz UTHCSDDIPUXNNH-ILXRZTDVSA-N 2 1 252.446 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657845670 419385025 /nfs/dbraw/zinc/38/50/25/419385025.db2.gz NUEQNQCSGBXIDO-LLVKDONJSA-N 2 1 294.349 3.265 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292754 419386215 /nfs/dbraw/zinc/38/62/15/419386215.db2.gz KZDRMSJODUCRQJ-ZDUSSCGKSA-N 2 1 254.805 3.460 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657847025 419386202 /nfs/dbraw/zinc/38/62/02/419386202.db2.gz ZLAFLNSIEPPKRU-QWHCGFSZSA-N 2 1 297.393 3.402 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657847025 419386207 /nfs/dbraw/zinc/38/62/07/419386207.db2.gz ZLAFLNSIEPPKRU-QWHCGFSZSA-N 2 1 297.393 3.402 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292754 419386222 /nfs/dbraw/zinc/38/62/22/419386222.db2.gz KZDRMSJODUCRQJ-ZDUSSCGKSA-N 2 1 254.805 3.460 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657932990 419447694 /nfs/dbraw/zinc/44/76/94/419447694.db2.gz YFAXUAOUIHQMLZ-HOTGVXAUSA-N 2 1 284.513 3.230 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2C)CC1 ZINC000658088573 419557825 /nfs/dbraw/zinc/55/78/25/419557825.db2.gz ARXQSIQWXNXKBJ-AWEZNQCLSA-N 2 1 278.415 3.139 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000663499428 419637606 /nfs/dbraw/zinc/63/76/06/419637606.db2.gz ZWMBDPPQNXOWGK-GFCCVEGCSA-N 2 1 275.223 3.456 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccoc1 ZINC000663467712 419619353 /nfs/dbraw/zinc/61/93/53/419619353.db2.gz HKKHRNKJANECDE-HIFRSBDPSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccoc1 ZINC000663467712 419619358 /nfs/dbraw/zinc/61/93/58/419619358.db2.gz HKKHRNKJANECDE-HIFRSBDPSA-N 2 1 262.397 3.052 20 0 CGADMP c1cc(C[N@@H+]2CC=CCC2)ccc1C[NH+]1CCCCC1 ZINC000663693899 419682841 /nfs/dbraw/zinc/68/28/41/419682841.db2.gz FWGCQPMKZGHLDK-UHFFFAOYSA-N 2 1 270.420 3.434 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000658227295 419686386 /nfs/dbraw/zinc/68/63/86/419686386.db2.gz UJXRIOOZNNFBAD-KRWDZBQOSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000658227295 419686394 /nfs/dbraw/zinc/68/63/94/419686394.db2.gz UJXRIOOZNNFBAD-KRWDZBQOSA-N 2 1 284.447 3.150 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1[nH+]ccc2[nH]ccc21 ZINC000663578293 419652254 /nfs/dbraw/zinc/65/22/54/419652254.db2.gz XSDIARXNUORLIR-BETUJISGSA-N 2 1 272.396 3.238 20 0 CGADMP CCN(CCC[NH+](C)C)c1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663835410 419736658 /nfs/dbraw/zinc/73/66/58/419736658.db2.gz AJHNWNLNCNTCRI-UHFFFAOYSA-N 2 1 289.345 3.187 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)Nc1[nH+]ccc2[nH]ccc21 ZINC000663916895 419755414 /nfs/dbraw/zinc/75/54/14/419755414.db2.gz AIVUJMBZDNPPOV-GFCCVEGCSA-N 2 1 260.385 3.095 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)CC[N@@H+]1C ZINC000658264320 419718887 /nfs/dbraw/zinc/71/88/87/419718887.db2.gz FMORGFJYWIDQGN-NELGMTEASA-N 2 1 272.383 3.027 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)CC[N@H+]1C ZINC000658264320 419718892 /nfs/dbraw/zinc/71/88/92/419718892.db2.gz FMORGFJYWIDQGN-NELGMTEASA-N 2 1 272.383 3.027 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC000180215240 260095328 /nfs/dbraw/zinc/09/53/28/260095328.db2.gz OWNKXLILWJOAER-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2C)C1 ZINC000180215240 260095329 /nfs/dbraw/zinc/09/53/29/260095329.db2.gz OWNKXLILWJOAER-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2C)C1 ZINC000180215240 260095330 /nfs/dbraw/zinc/09/53/30/260095330.db2.gz OWNKXLILWJOAER-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180215240 260095331 /nfs/dbraw/zinc/09/53/31/260095331.db2.gz OWNKXLILWJOAER-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000180215240 260095332 /nfs/dbraw/zinc/09/53/32/260095332.db2.gz OWNKXLILWJOAER-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000223263293 260287548 /nfs/dbraw/zinc/28/75/48/260287548.db2.gz FHFIIBAKMHUIHH-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000223263293 260287549 /nfs/dbraw/zinc/28/75/49/260287549.db2.gz FHFIIBAKMHUIHH-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997009 270028297 /nfs/dbraw/zinc/02/82/97/270028297.db2.gz PNCSVKYGZHFYCK-CSODTCANSA-N 2 1 284.447 3.457 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997009 270028298 /nfs/dbraw/zinc/02/82/98/270028298.db2.gz PNCSVKYGZHFYCK-CSODTCANSA-N 2 1 284.447 3.457 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000040622210 270029653 /nfs/dbraw/zinc/02/96/53/270029653.db2.gz LOWGLPIIQSHNNC-CQSZACIVSA-N 2 1 272.392 3.253 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000040622210 270029655 /nfs/dbraw/zinc/02/96/55/270029655.db2.gz LOWGLPIIQSHNNC-CQSZACIVSA-N 2 1 272.392 3.253 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+]C2CCCCC2)([NH+](C)C)C1 ZINC000040668502 270030050 /nfs/dbraw/zinc/03/00/50/270030050.db2.gz LGZLOQGYPNJPLV-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000044534551 270036390 /nfs/dbraw/zinc/03/63/90/270036390.db2.gz ARLLDTDNEKWUOM-WBVHZDCISA-N 2 1 260.425 3.378 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534786 270036671 /nfs/dbraw/zinc/03/66/71/270036671.db2.gz JCJGFEBQUXROGV-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000105457426 270047623 /nfs/dbraw/zinc/04/76/23/270047623.db2.gz AYRBKLLJTZTGAQ-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000106868839 270049444 /nfs/dbraw/zinc/04/94/44/270049444.db2.gz NDHXPUHQFHMDJU-DLBZAZTESA-N 2 1 272.436 3.328 20 0 CGADMP CC/C=C/CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000184593366 270059272 /nfs/dbraw/zinc/05/92/72/270059272.db2.gz KALJONGESARRCY-QDNWOOLPSA-N 2 1 250.430 3.290 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229553011 270088409 /nfs/dbraw/zinc/08/84/09/270088409.db2.gz LUHDTCQXEPDXSJ-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229553011 270088410 /nfs/dbraw/zinc/08/84/10/270088410.db2.gz LUHDTCQXEPDXSJ-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218965802 270085911 /nfs/dbraw/zinc/08/59/11/270085911.db2.gz AIRCTXPSIXKWPM-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218965802 270085912 /nfs/dbraw/zinc/08/59/12/270085912.db2.gz AIRCTXPSIXKWPM-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227631285 270087211 /nfs/dbraw/zinc/08/72/11/270087211.db2.gz HOSGRABLWYVIMM-SQNIBIBYSA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227631285 270087212 /nfs/dbraw/zinc/08/72/12/270087212.db2.gz HOSGRABLWYVIMM-SQNIBIBYSA-N 2 1 272.436 3.224 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(C)C ZINC000229535741 270088543 /nfs/dbraw/zinc/08/85/43/270088543.db2.gz SNFGQUAVEZDDPP-SQWLQELKSA-N 2 1 254.462 3.233 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321694489 270093356 /nfs/dbraw/zinc/09/33/56/270093356.db2.gz SFCZPOPNMNQZSA-VYDXJSESSA-N 2 1 260.425 3.143 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)Cc2ccccc2)CC1 ZINC000521510383 270102212 /nfs/dbraw/zinc/10/22/12/270102212.db2.gz ARFXLPRGNFWDOC-MRXNPFEDSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)Cc2ccccc2)CC1 ZINC000521510383 270102213 /nfs/dbraw/zinc/10/22/13/270102213.db2.gz ARFXLPRGNFWDOC-MRXNPFEDSA-N 2 1 274.452 3.281 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(C)(C)C ZINC000522557889 270106702 /nfs/dbraw/zinc/10/67/02/270106702.db2.gz KWFBVWKLRJVOGD-MRXNPFEDSA-N 2 1 288.439 3.019 20 0 CGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(F)CC1 ZINC000525978991 270121619 /nfs/dbraw/zinc/12/16/19/270121619.db2.gz NOZARXXKKXRNEF-QGZVFWFLSA-N 2 1 290.426 3.333 20 0 CGADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(F)CC1 ZINC000525978991 270121622 /nfs/dbraw/zinc/12/16/22/270121622.db2.gz NOZARXXKKXRNEF-QGZVFWFLSA-N 2 1 290.426 3.333 20 0 CGADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(F)CC1 ZINC000525978991 270121623 /nfs/dbraw/zinc/12/16/23/270121623.db2.gz NOZARXXKKXRNEF-QGZVFWFLSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527861051 270140386 /nfs/dbraw/zinc/14/03/86/270140386.db2.gz XAQPFXBUQHVTHU-UHOSZYNNSA-N 2 1 298.474 3.329 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527845129 270139227 /nfs/dbraw/zinc/13/92/27/270139227.db2.gz BXDYLXGDPJKNIU-MEDUHNTESA-N 2 1 296.817 3.398 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000527896042 270142766 /nfs/dbraw/zinc/14/27/66/270142766.db2.gz BOKMLMCRWHTTII-HZPDHXFCSA-N 2 1 283.419 3.268 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000527896038 270142821 /nfs/dbraw/zinc/14/28/21/270142821.db2.gz BOKMLMCRWHTTII-CVEARBPZSA-N 2 1 283.419 3.268 20 0 CGADMP C1=CCC(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000527949590 270146430 /nfs/dbraw/zinc/14/64/30/270146430.db2.gz OGTKRVBMWNRLIE-SLFFLAALSA-N 2 1 296.458 3.453 20 0 CGADMP C1=CCC(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000527950364 270146599 /nfs/dbraw/zinc/14/65/99/270146599.db2.gz OGTKRVBMWNRLIE-XUVXKRRUSA-N 2 1 296.458 3.453 20 0 CGADMP FC(F)(F)c1cccc2c1C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000530232802 270196781 /nfs/dbraw/zinc/19/67/81/270196781.db2.gz BDSKMJKRFCOONX-GFCCVEGCSA-N 2 1 298.352 3.063 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530226271 270196852 /nfs/dbraw/zinc/19/68/52/270196852.db2.gz ZGCMTZVCAUIPJD-DLBZAZTESA-N 2 1 270.420 3.320 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[NH+](C)C ZINC000246772597 287719893 /nfs/dbraw/zinc/71/98/93/287719893.db2.gz BMWUOVMHMPWAEV-YYIAUSFCSA-N 2 1 296.499 3.146 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000132235027 274240782 /nfs/dbraw/zinc/24/07/82/274240782.db2.gz JYYBJENSKNJXOG-KGLIPLIRSA-N 2 1 278.399 3.426 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CSCCc3ccccc32)CC[N@@H+]1C ZINC000348034181 274394733 /nfs/dbraw/zinc/39/47/33/274394733.db2.gz BMAREQLAANQDQK-KMFMINBZSA-N 2 1 290.476 3.089 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CSCCc3ccccc32)CC[N@H+]1C ZINC000348034181 274394734 /nfs/dbraw/zinc/39/47/34/274394734.db2.gz BMAREQLAANQDQK-KMFMINBZSA-N 2 1 290.476 3.089 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@@H]3CC3(C)C)CC2)[nH+]1 ZINC000487267725 274793467 /nfs/dbraw/zinc/79/34/67/274793467.db2.gz BVYUWEBUTOCASE-HOCLYGCPSA-N 2 1 287.451 3.383 20 0 CGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423234922 275700943 /nfs/dbraw/zinc/70/09/43/275700943.db2.gz MQFBHQNXHSFZPW-HOCLYGCPSA-N 2 1 278.465 3.145 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316671 276073298 /nfs/dbraw/zinc/07/32/98/276073298.db2.gz RPOUDGRFPKORLR-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316671 276073301 /nfs/dbraw/zinc/07/33/01/276073301.db2.gz RPOUDGRFPKORLR-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316671 276073303 /nfs/dbraw/zinc/07/33/03/276073303.db2.gz RPOUDGRFPKORLR-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000149220660 276097688 /nfs/dbraw/zinc/09/76/88/276097688.db2.gz ZZCNJKFCYDUFNC-MRXNPFEDSA-N 2 1 264.388 3.135 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414929654 276106571 /nfs/dbraw/zinc/10/65/71/276106571.db2.gz OWPRDVTVSWUCAG-FRRDWIJNSA-N 2 1 292.389 3.475 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823604 276109692 /nfs/dbraw/zinc/10/96/92/276109692.db2.gz KFIJGWFXQLQYPJ-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823604 276109693 /nfs/dbraw/zinc/10/96/93/276109693.db2.gz KFIJGWFXQLQYPJ-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCOC ZINC000361175316 276234496 /nfs/dbraw/zinc/23/44/96/276234496.db2.gz NNWMJKYBTNGZEZ-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCOC ZINC000361175316 276234499 /nfs/dbraw/zinc/23/44/99/276234499.db2.gz NNWMJKYBTNGZEZ-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)c2ccccc2)C1 ZINC000284408558 276248015 /nfs/dbraw/zinc/24/80/15/276248015.db2.gz NUHGYQWTHXJEDT-FUHWJXTLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000284408558 276248016 /nfs/dbraw/zinc/24/80/16/276248016.db2.gz NUHGYQWTHXJEDT-FUHWJXTLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000284408558 276248017 /nfs/dbraw/zinc/24/80/17/276248017.db2.gz NUHGYQWTHXJEDT-FUHWJXTLSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000414832972 276266665 /nfs/dbraw/zinc/26/66/65/276266665.db2.gz RRTKVIXUNMTQDZ-HYVNUMGLSA-N 2 1 260.425 3.158 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000514824920 276419892 /nfs/dbraw/zinc/41/98/92/276419892.db2.gz FQPNJUBWKKUZPY-CQSZACIVSA-N 2 1 282.815 3.143 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3cc(F)ccc32)C1 ZINC000302727229 277183308 /nfs/dbraw/zinc/18/33/08/277183308.db2.gz KGNXSMUHASKFDG-DYVFJYSZSA-N 2 1 299.393 3.294 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3cc(F)ccc32)C1 ZINC000302727229 277183309 /nfs/dbraw/zinc/18/33/09/277183309.db2.gz KGNXSMUHASKFDG-DYVFJYSZSA-N 2 1 299.393 3.294 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000414329126 277218522 /nfs/dbraw/zinc/21/85/22/277218522.db2.gz IBIANBUDUSQERA-LVQVYYBASA-N 2 1 294.483 3.185 20 0 CGADMP COC[C@@H](CC(C)C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000480255185 277245407 /nfs/dbraw/zinc/24/54/07/277245407.db2.gz XZGWIEHWRAUCSN-MRXNPFEDSA-N 2 1 284.488 3.292 20 0 CGADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC000446940264 277248160 /nfs/dbraw/zinc/24/81/60/277248160.db2.gz DSQWCRZUFVRKHA-SJLPKXTDSA-N 2 1 296.499 3.149 20 0 CGADMP COC[C@H](CC(C)C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480604170 277259696 /nfs/dbraw/zinc/25/96/96/277259696.db2.gz GAOCETXTMUDODR-KSZLIROESA-N 2 1 298.515 3.395 20 0 CGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H](C)C[NH+]3CCCCCC3)C[C@H]2C1 ZINC000424286306 277765351 /nfs/dbraw/zinc/76/53/51/277765351.db2.gz VUBJVEFYSSCJTL-QXDIGNSFSA-N 2 1 294.483 3.044 20 0 CGADMP COc1ccc([C@H]([NH2+]CC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422901846 277934181 /nfs/dbraw/zinc/93/41/81/277934181.db2.gz SKLOKAOGHNXGDJ-MSOLQXFVSA-N 2 1 288.435 3.268 20 0 CGADMP C[C@H]1CCC[C@](C[NH2+]C2CC(C)(C)C2)([NH+](C)C)C1 ZINC000395289773 288007975 /nfs/dbraw/zinc/00/79/75/288007975.db2.gz JJMISSJYDCREDY-BBRMVZONSA-N 2 1 252.446 3.275 20 0 CGADMP CS[C@@H]1CCCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000372182313 278143408 /nfs/dbraw/zinc/14/34/08/278143408.db2.gz VSRPCIDLNCYNKM-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP CS[C@@H]1CCCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000372182313 278143409 /nfs/dbraw/zinc/14/34/09/278143409.db2.gz VSRPCIDLNCYNKM-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP CS[C@@H]1CCCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000372182313 278143410 /nfs/dbraw/zinc/14/34/10/278143410.db2.gz VSRPCIDLNCYNKM-HUUCEWRRSA-N 2 1 270.486 3.078 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1C[NH3+] ZINC000397274614 288022498 /nfs/dbraw/zinc/02/24/98/288022498.db2.gz PCZDZTMKMOJEAO-TYNCELHUSA-N 2 1 282.378 3.429 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccsc2Cl)C[C@H]1C[NH3+] ZINC000397487658 288024397 /nfs/dbraw/zinc/02/43/97/288024397.db2.gz WSPJFGSOKGMMBF-JFGNBEQYSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccsc2Cl)C[C@H]1C[NH3+] ZINC000397487658 288024400 /nfs/dbraw/zinc/02/44/00/288024400.db2.gz WSPJFGSOKGMMBF-JFGNBEQYSA-N 2 1 272.845 3.207 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000079977017 278243194 /nfs/dbraw/zinc/24/31/94/278243194.db2.gz YWQZMQHUVKKUST-AWEZNQCLSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC1(C)C ZINC000397836782 288032105 /nfs/dbraw/zinc/03/21/05/288032105.db2.gz SRTLVSJPOPCJAX-LSDHHAIUSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420403391 278313207 /nfs/dbraw/zinc/31/32/07/278313207.db2.gz RIAYOPPNKIUDGC-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC2(CCC2)C1 ZINC000448056597 278332316 /nfs/dbraw/zinc/33/23/16/278332316.db2.gz PBFPJUXAABMCSJ-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1N(C)C ZINC000093941742 278335237 /nfs/dbraw/zinc/33/52/37/278335237.db2.gz RGLBTRRCVNAORT-CQSZACIVSA-N 2 1 287.451 3.030 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422700398 278341276 /nfs/dbraw/zinc/34/12/76/278341276.db2.gz GWQCDYPXCVDIHM-IUODEOHRSA-N 2 1 278.827 3.102 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422903350 288062641 /nfs/dbraw/zinc/06/26/41/288062641.db2.gz OIHJOHJJZOFVNQ-ZWKOTPCHSA-N 2 1 282.387 3.320 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453107197 288075692 /nfs/dbraw/zinc/07/56/92/288075692.db2.gz KNKSJMRHNMWSRO-CXAGYDPISA-N 2 1 275.440 3.386 20 0 CGADMP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccccc1F ZINC000163828570 288076791 /nfs/dbraw/zinc/07/67/91/288076791.db2.gz IXGIAUNZXBYXFE-DOMZBBRYSA-N 2 1 252.377 3.207 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459745900 288100577 /nfs/dbraw/zinc/10/05/77/288100577.db2.gz YTEJAHZTWBHAAF-ZUTYSQTGSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000459597140 288100116 /nfs/dbraw/zinc/10/01/16/288100116.db2.gz VEMODHSQNHGQSN-OALUTQOASA-N 2 1 284.447 3.397 20 0 CGADMP CC[NH+](CC)CCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338270958 279095072 /nfs/dbraw/zinc/09/50/72/279095072.db2.gz PJVFSIXHKLFCSD-KSZLIROESA-N 2 1 295.515 3.056 20 0 CGADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000261573898 279230645 /nfs/dbraw/zinc/23/06/45/279230645.db2.gz WEIAPWBSQPCNCQ-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCc2c1c(F)ccc2F)C[NH+]1CCCC1 ZINC000338179140 279353836 /nfs/dbraw/zinc/35/38/36/279353836.db2.gz AYMFCEVKAAZUAV-WBMJQRKESA-N 2 1 294.389 3.274 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000359639383 279354908 /nfs/dbraw/zinc/35/49/08/279354908.db2.gz KQHPAHNPHDKHOF-INIZCTEOSA-N 2 1 294.414 3.359 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000359639383 279354911 /nfs/dbraw/zinc/35/49/11/279354911.db2.gz KQHPAHNPHDKHOF-INIZCTEOSA-N 2 1 294.414 3.359 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000415066992 279647432 /nfs/dbraw/zinc/64/74/32/279647432.db2.gz OTCNEXXRKHNXFD-AVGNSLFASA-N 2 1 278.362 3.215 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527655104 288183104 /nfs/dbraw/zinc/18/31/04/288183104.db2.gz YXZUEGMGXRADHR-ZDUSSCGKSA-N 2 1 282.391 3.099 20 0 CGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420301971 280123361 /nfs/dbraw/zinc/12/33/61/280123361.db2.gz LSEWHNBGSMWUMQ-STQMWFEESA-N 2 1 294.389 3.274 20 0 CGADMP C/C(Cl)=C\C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000528460023 288201861 /nfs/dbraw/zinc/20/18/61/288201861.db2.gz QHEWCJWXWUSMCQ-XEVNVYFWSA-N 2 1 279.815 3.151 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000079974706 281051024 /nfs/dbraw/zinc/05/10/24/281051024.db2.gz DJFLTAVGYSBBEG-RRFJBIMHSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000079974706 281051027 /nfs/dbraw/zinc/05/10/27/281051027.db2.gz DJFLTAVGYSBBEG-RRFJBIMHSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000338739669 281171084 /nfs/dbraw/zinc/17/10/84/281171084.db2.gz CHPBPKCMRRTNBG-LJQANCHMSA-N 2 1 295.430 3.465 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000530410803 288305614 /nfs/dbraw/zinc/30/56/14/288305614.db2.gz MJIPOJSTTPPUBP-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000530410803 288305616 /nfs/dbraw/zinc/30/56/16/288305616.db2.gz MJIPOJSTTPPUBP-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000530410803 288305619 /nfs/dbraw/zinc/30/56/19/288305619.db2.gz MJIPOJSTTPPUBP-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423531069 281270741 /nfs/dbraw/zinc/27/07/41/281270741.db2.gz QCLPXKMUPQCGJG-IRXDYDNUSA-N 2 1 258.409 3.089 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649281 281355895 /nfs/dbraw/zinc/35/58/95/281355895.db2.gz GGQIDZCHARMEJX-CABCVRRESA-N 2 1 258.409 3.130 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000532469314 288363099 /nfs/dbraw/zinc/36/30/99/288363099.db2.gz GMJQQMTZDWEJJE-BFYDXBDKSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548885392 289028082 /nfs/dbraw/zinc/02/80/82/289028082.db2.gz VLCAPEQMTSEVEZ-TWMKSMIVSA-N 2 1 264.457 3.277 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000549466474 289044616 /nfs/dbraw/zinc/04/46/16/289044616.db2.gz LDGPANXWDQWFMC-MSOLQXFVSA-N 2 1 294.483 3.308 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCCC1 ZINC000462796423 289059984 /nfs/dbraw/zinc/05/99/84/289059984.db2.gz PCZRDWIKEKLVRV-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000552050652 289155831 /nfs/dbraw/zinc/15/58/31/289155831.db2.gz OBGGHXFGQDVTDX-ZACQAIPSSA-N 2 1 289.467 3.409 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552062023 289157540 /nfs/dbraw/zinc/15/75/40/289157540.db2.gz IRGHNPCQHNQPJZ-LTFXXXRZSA-N 2 1 284.447 3.080 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2C1(C)C ZINC000552663149 289195360 /nfs/dbraw/zinc/19/53/60/289195360.db2.gz DVCMHGWRYGEVLH-UHFFFAOYSA-N 2 1 283.419 3.375 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2C1(C)C ZINC000552663149 289195363 /nfs/dbraw/zinc/19/53/63/289195363.db2.gz DVCMHGWRYGEVLH-UHFFFAOYSA-N 2 1 283.419 3.375 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3ccccc32)C1 ZINC000192150099 290181919 /nfs/dbraw/zinc/18/19/19/290181919.db2.gz JSBHADACAAQLIV-RHSMWYFYSA-N 2 1 281.403 3.155 20 0 CGADMP Cn1cccc1[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000163210533 294385749 /nfs/dbraw/zinc/38/57/49/294385749.db2.gz FBJOMWPANXAUBR-RDJZCZTQSA-N 2 1 275.440 3.036 20 0 CGADMP Cn1cccc1[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000163210533 294385751 /nfs/dbraw/zinc/38/57/51/294385751.db2.gz FBJOMWPANXAUBR-RDJZCZTQSA-N 2 1 275.440 3.036 20 0 CGADMP Cn1cccc1[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000163210533 294385752 /nfs/dbraw/zinc/38/57/52/294385752.db2.gz FBJOMWPANXAUBR-RDJZCZTQSA-N 2 1 275.440 3.036 20 0 CGADMP COc1ccc([C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000422779719 295217283 /nfs/dbraw/zinc/21/72/83/295217283.db2.gz GKSXGSIFPWMUOJ-COXVUDFISA-N 2 1 276.424 3.122 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000420304251 295241031 /nfs/dbraw/zinc/24/10/31/295241031.db2.gz LJNNLRQLXTVARW-JZXOWHBKSA-N 2 1 288.435 3.002 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CCCCC1 ZINC000423260377 295264585 /nfs/dbraw/zinc/26/45/85/295264585.db2.gz HFZULLBJBGJKCS-TVFCKZIOSA-N 2 1 294.483 3.079 20 0 CGADMP COc1ccccc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230004324 295360751 /nfs/dbraw/zinc/36/07/51/295360751.db2.gz XLGZNXGFYXZNPR-UHFFFAOYSA-N 2 1 284.403 3.046 20 0 CGADMP COc1ccccc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230004324 295360753 /nfs/dbraw/zinc/36/07/53/295360753.db2.gz XLGZNXGFYXZNPR-UHFFFAOYSA-N 2 1 284.403 3.046 20 0 CGADMP CSC1(C[NH2+]CC2([NH+](C)C)CCCCC2)CCC1 ZINC000336790870 295581220 /nfs/dbraw/zinc/58/12/20/295581220.db2.gz YNXHPQJPLOYGCH-UHFFFAOYSA-N 2 1 270.486 3.126 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]([NH3+])C(C)C)CCCO2 ZINC000423278950 301448337 /nfs/dbraw/zinc/44/83/37/301448337.db2.gz RNVMZEGWOXNQQY-JKSUJKDBSA-N 2 1 276.424 3.090 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423261808 528517144 /nfs/dbraw/zinc/51/71/44/528517144.db2.gz KYAHCCWTGGDEHZ-WCQYABFASA-N 2 1 262.388 3.163 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422710351 302137060 /nfs/dbraw/zinc/13/70/60/302137060.db2.gz LSTVYPDDXNESIA-XYPHTWIQSA-N 2 1 258.409 3.176 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000394589884 329128011 /nfs/dbraw/zinc/12/80/11/329128011.db2.gz ZDUICGOEWHGJNH-LVQVYYBASA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000563486186 322000412 /nfs/dbraw/zinc/00/04/12/322000412.db2.gz WNVFEULTQDMYIY-RDBSUJKOSA-N 2 1 261.413 3.216 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563810622 322011038 /nfs/dbraw/zinc/01/10/38/322011038.db2.gz JFSIOKQEBHTAMP-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563810622 322011040 /nfs/dbraw/zinc/01/10/40/322011040.db2.gz JFSIOKQEBHTAMP-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1F ZINC000563969356 322017211 /nfs/dbraw/zinc/01/72/11/322017211.db2.gz RSFKPBRZCIRJSS-INIZCTEOSA-N 2 1 293.361 3.372 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000564252113 322024400 /nfs/dbraw/zinc/02/44/00/322024400.db2.gz NSXJKSHDWVPMGW-IUODEOHRSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000564252113 322024402 /nfs/dbraw/zinc/02/44/02/322024402.db2.gz NSXJKSHDWVPMGW-IUODEOHRSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000564252113 322024403 /nfs/dbraw/zinc/02/44/03/322024403.db2.gz NSXJKSHDWVPMGW-IUODEOHRSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000564252113 322024405 /nfs/dbraw/zinc/02/44/05/322024405.db2.gz NSXJKSHDWVPMGW-IUODEOHRSA-N 2 1 266.454 3.083 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000564532275 322033459 /nfs/dbraw/zinc/03/34/59/322033459.db2.gz CXRWPSFXAMKBPD-LBPRGKRZSA-N 2 1 286.822 3.340 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000564532275 322033460 /nfs/dbraw/zinc/03/34/60/322033460.db2.gz CXRWPSFXAMKBPD-LBPRGKRZSA-N 2 1 286.822 3.340 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000565592703 322083240 /nfs/dbraw/zinc/08/32/40/322083240.db2.gz NCFHJDMVAMQSFQ-BBRMVZONSA-N 2 1 264.413 3.098 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000566417002 322121515 /nfs/dbraw/zinc/12/15/15/322121515.db2.gz VAYMZPCSARPWFN-ZBFHGGJFSA-N 2 1 263.429 3.301 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000566416999 322121588 /nfs/dbraw/zinc/12/15/88/322121588.db2.gz VAYMZPCSARPWFN-GDBMZVCRSA-N 2 1 263.429 3.301 20 0 CGADMP Cc1ccc2ccnc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000567750186 322176006 /nfs/dbraw/zinc/17/60/06/322176006.db2.gz LKNBAJKQLSTOKT-AWEZNQCLSA-N 2 1 281.403 3.439 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000567750186 322176008 /nfs/dbraw/zinc/17/60/08/322176008.db2.gz LKNBAJKQLSTOKT-AWEZNQCLSA-N 2 1 281.403 3.439 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000567750186 322176010 /nfs/dbraw/zinc/17/60/10/322176010.db2.gz LKNBAJKQLSTOKT-AWEZNQCLSA-N 2 1 281.403 3.439 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CC34CC4)CC23CC3)cc1 ZINC000567853624 322179934 /nfs/dbraw/zinc/17/99/34/322179934.db2.gz IIOTXRAHGFXADP-IAGOWNOFSA-N 2 1 282.431 3.326 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CC34CC4)CC23CC3)cc1 ZINC000567853624 322179935 /nfs/dbraw/zinc/17/99/35/322179935.db2.gz IIOTXRAHGFXADP-IAGOWNOFSA-N 2 1 282.431 3.326 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889824 322181832 /nfs/dbraw/zinc/18/18/32/322181832.db2.gz YSEDEPRSUGVHNF-IAGOWNOFSA-N 2 1 290.838 3.403 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889824 322181835 /nfs/dbraw/zinc/18/18/35/322181835.db2.gz YSEDEPRSUGVHNF-IAGOWNOFSA-N 2 1 290.838 3.403 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000568162258 322195360 /nfs/dbraw/zinc/19/53/60/322195360.db2.gz SSWKWEBUWAOPLC-AAEUAGOBSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000568162258 322195362 /nfs/dbraw/zinc/19/53/62/322195362.db2.gz SSWKWEBUWAOPLC-AAEUAGOBSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000568407737 322208246 /nfs/dbraw/zinc/20/82/46/322208246.db2.gz PGRAYTIIUSOZEP-GJZGRUSLSA-N 2 1 271.408 3.135 20 0 CGADMP c1nc(C2CCCCC2)sc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000569555383 322250254 /nfs/dbraw/zinc/25/02/54/322250254.db2.gz KVQYJXKTPNANSH-CQSZACIVSA-N 2 1 293.480 3.423 20 0 CGADMP CC(C)C(C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)C(C)C ZINC000569741861 322256077 /nfs/dbraw/zinc/25/60/77/322256077.db2.gz CCCMIFPWANJJKG-HOCLYGCPSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)C(C)C ZINC000569741861 322256079 /nfs/dbraw/zinc/25/60/79/322256079.db2.gz CCCMIFPWANJJKG-HOCLYGCPSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000569741861 322256081 /nfs/dbraw/zinc/25/60/81/322256081.db2.gz CCCMIFPWANJJKG-HOCLYGCPSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000569741861 322256083 /nfs/dbraw/zinc/25/60/83/322256083.db2.gz CCCMIFPWANJJKG-HOCLYGCPSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000571327769 322295911 /nfs/dbraw/zinc/29/59/11/322295911.db2.gz GJFKLKBZGGTULN-JKSUJKDBSA-N 2 1 252.446 3.441 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C[C@H]1C ZINC000571350816 322296470 /nfs/dbraw/zinc/29/64/70/322296470.db2.gz PMWOUVDOJWOEPP-KOWPAETKSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]CCCC2CCCCC2)CCCO1 ZINC000571807369 322308307 /nfs/dbraw/zinc/30/83/07/322308307.db2.gz YRZNYIYJXNVVNX-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000572253472 322328002 /nfs/dbraw/zinc/32/80/02/322328002.db2.gz VGLFUARRDFJROH-SFHVURJKSA-N 2 1 283.419 3.484 20 0 CGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000572879814 322359276 /nfs/dbraw/zinc/35/92/76/322359276.db2.gz YPUCYZDVKJWFDI-DTWKUNHWSA-N 2 1 291.222 3.217 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000573249125 322377372 /nfs/dbraw/zinc/37/73/72/322377372.db2.gz VUGPYQWZUWWQJR-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccccc1C(C)(C)[NH2+]CCCc1c[nH+]cn1C ZINC000574650150 322450856 /nfs/dbraw/zinc/45/08/56/322450856.db2.gz PPGNHMSLAXIWHQ-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1Cl ZINC000577944778 327289480 /nfs/dbraw/zinc/28/94/80/327289480.db2.gz MNZNZZWYRDPRFQ-HNNXBMFYSA-N 2 1 280.843 3.468 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CC[N@H+]1C ZINC000394574301 329123161 /nfs/dbraw/zinc/12/31/61/329123161.db2.gz OBVGMFOQVYJGSL-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191896294 331302615 /nfs/dbraw/zinc/30/26/15/331302615.db2.gz VCTDJKYXIRODJM-MRXNPFEDSA-N 2 1 276.424 3.091 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@H](C)C1 ZINC000174629298 335160971 /nfs/dbraw/zinc/16/09/71/335160971.db2.gz YVELIDDCKMSGIF-CZUORRHYSA-N 2 1 278.465 3.228 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000576280089 335181830 /nfs/dbraw/zinc/18/18/30/335181830.db2.gz RNGUKTWPTVZLRN-QZTJIDSGSA-N 2 1 272.436 3.256 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)CCC1 ZINC000576719001 335239860 /nfs/dbraw/zinc/23/98/60/335239860.db2.gz MEMVKJWTXXACFW-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576755026 335243641 /nfs/dbraw/zinc/24/36/41/335243641.db2.gz BKFMIEYZBYDQMB-HZPDHXFCSA-N 2 1 295.430 3.369 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000577003457 335277230 /nfs/dbraw/zinc/27/72/30/335277230.db2.gz RWCDCZKFNHDXGV-UHFFFAOYSA-N 2 1 281.403 3.142 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000577003457 335277232 /nfs/dbraw/zinc/27/72/32/335277232.db2.gz RWCDCZKFNHDXGV-UHFFFAOYSA-N 2 1 281.403 3.142 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000577125207 335304918 /nfs/dbraw/zinc/30/49/18/335304918.db2.gz OALLSULWXGVNAA-CHWSQXEVSA-N 2 1 261.413 3.216 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192824031 335307743 /nfs/dbraw/zinc/30/77/43/335307743.db2.gz YDAHDFLEXYSHDO-KDOFPFPSSA-N 2 1 298.434 3.364 20 0 CGADMP Cc1cccc([C@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000577505619 335361189 /nfs/dbraw/zinc/36/11/89/335361189.db2.gz HMOMLDXIAVHYAX-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1cccc([C@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)c1 ZINC000577505619 335361191 /nfs/dbraw/zinc/36/11/91/335361191.db2.gz HMOMLDXIAVHYAX-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)oc2cc1C ZINC000581198622 336023537 /nfs/dbraw/zinc/02/35/37/336023537.db2.gz JOXOWVUEVMGIJU-HIFRSBDPSA-N 2 1 272.392 3.361 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000381536058 336067620 /nfs/dbraw/zinc/06/76/20/336067620.db2.gz QQFVXCIADWVMEX-ARAOSMHQSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)([NH+](C)C)C1 ZINC000382120986 336082224 /nfs/dbraw/zinc/08/22/24/336082224.db2.gz XWQSMKUVNDMPDX-JJTUDDRGSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)c2sccc21 ZINC000581470814 336085326 /nfs/dbraw/zinc/08/53/26/336085326.db2.gz PCNLINPZNXDBPV-RISCZKNCSA-N 2 1 275.421 3.252 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000383737270 336117316 /nfs/dbraw/zinc/11/73/16/336117316.db2.gz GWGOYGNPCKULMU-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP CC/C=C/C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000384839245 336132597 /nfs/dbraw/zinc/13/25/97/336132597.db2.gz INULRKCPERLTBK-XVNBXDOJSA-N 2 1 258.409 3.207 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000581972964 336181285 /nfs/dbraw/zinc/18/12/85/336181285.db2.gz PYZIPOHIPDWIEN-USXIJHARSA-N 2 1 264.457 3.300 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423503709 533723506 /nfs/dbraw/zinc/72/35/06/533723506.db2.gz GDYYMSKEVGWJJR-VNQPRFMTSA-N 2 1 260.425 3.156 20 0 CGADMP COc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1C ZINC000436483124 533784068 /nfs/dbraw/zinc/78/40/68/533784068.db2.gz CQPCVVBHVLVKEV-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1C ZINC000436483124 533784077 /nfs/dbraw/zinc/78/40/77/533784077.db2.gz CQPCVVBHVLVKEV-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1C ZINC000436483124 533784084 /nfs/dbraw/zinc/78/40/84/533784084.db2.gz CQPCVVBHVLVKEV-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1C ZINC000436483124 533784091 /nfs/dbraw/zinc/78/40/91/533784091.db2.gz CQPCVVBHVLVKEV-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449375440 533792824 /nfs/dbraw/zinc/79/28/24/533792824.db2.gz HDEOEUTUGPBEFF-WSDZMALLSA-N 2 1 290.426 3.377 20 0 CGADMP COc1cccc2c(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cccc12 ZINC000449168803 533837517 /nfs/dbraw/zinc/83/75/17/533837517.db2.gz FKKQQMYFAYTNEJ-GOEBONIOSA-N 2 1 298.430 3.421 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1C ZINC000414069068 533851593 /nfs/dbraw/zinc/85/15/93/533851593.db2.gz RGIBPEAANVXZAL-RVKKMQEKSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1C ZINC000414069068 533851601 /nfs/dbraw/zinc/85/16/01/533851601.db2.gz RGIBPEAANVXZAL-RVKKMQEKSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000358057344 533896691 /nfs/dbraw/zinc/89/66/91/533896691.db2.gz FWOASVVQOYUKNB-HOCLYGCPSA-N 2 1 278.465 3.099 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000425385193 534001648 /nfs/dbraw/zinc/00/16/48/534001648.db2.gz REBSSLZFSDLHQO-ARFHVFGLSA-N 2 1 282.497 3.267 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000425385193 534001655 /nfs/dbraw/zinc/00/16/55/534001655.db2.gz REBSSLZFSDLHQO-ARFHVFGLSA-N 2 1 282.497 3.267 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)s1 ZINC000423375544 534007574 /nfs/dbraw/zinc/00/75/74/534007574.db2.gz KSAOLBMWTKJIEY-UTLUCORTSA-N 2 1 258.818 3.193 20 0 CGADMP CSc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424285070 534205590 /nfs/dbraw/zinc/20/55/90/534205590.db2.gz FAJWKNGOGZTLDY-AWEZNQCLSA-N 2 1 290.476 3.373 20 0 CGADMP c1cc2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2o1 ZINC000449072987 534475888 /nfs/dbraw/zinc/47/58/88/534475888.db2.gz HCWUJERPGSITSN-CYBMUJFWSA-N 2 1 270.376 3.007 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000183955699 520249413 /nfs/dbraw/zinc/24/94/13/520249413.db2.gz HTVLNGJCCDFLSS-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000183955699 520249417 /nfs/dbraw/zinc/24/94/17/520249417.db2.gz HTVLNGJCCDFLSS-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183955699 520249426 /nfs/dbraw/zinc/24/94/26/520249426.db2.gz HTVLNGJCCDFLSS-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183955699 520249431 /nfs/dbraw/zinc/24/94/31/520249431.db2.gz HTVLNGJCCDFLSS-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)C[C@H]1CCCCO1 ZINC000161707862 521651655 /nfs/dbraw/zinc/65/16/55/521651655.db2.gz ATBZEHUNEMXMOC-QGZVFWFLSA-N 2 1 293.455 3.253 20 0 CGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H]1CCCCO1 ZINC000161707862 521651658 /nfs/dbraw/zinc/65/16/58/521651658.db2.gz ATBZEHUNEMXMOC-QGZVFWFLSA-N 2 1 293.455 3.253 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000290148714 522200357 /nfs/dbraw/zinc/20/03/57/522200357.db2.gz LDUWTYSIVMUGDS-CGTJXYLNSA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000290148714 522200369 /nfs/dbraw/zinc/20/03/69/522200369.db2.gz LDUWTYSIVMUGDS-CGTJXYLNSA-N 2 1 290.451 3.054 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCc1cccc(F)c1)C1CCCCC1 ZINC000420353737 534675487 /nfs/dbraw/zinc/67/54/87/534675487.db2.gz ARVCILSXJKPDRS-QGZVFWFLSA-N 2 1 278.415 3.256 20 0 CGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000449127360 534696598 /nfs/dbraw/zinc/69/65/98/534696598.db2.gz OTRSUUFTULPPLA-QGZVFWFLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000449127360 534696602 /nfs/dbraw/zinc/69/66/02/534696602.db2.gz OTRSUUFTULPPLA-QGZVFWFLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1F ZINC000449169356 534717186 /nfs/dbraw/zinc/71/71/86/534717186.db2.gz GPNWWOCLSWDZBL-LSDHHAIUSA-N 2 1 264.388 3.097 20 0 CGADMP CCc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000088164170 523940802 /nfs/dbraw/zinc/94/08/02/523940802.db2.gz BFEKWCBUDYLYCR-AYHJJNSGSA-N 2 1 272.436 3.354 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000049551722 524473703 /nfs/dbraw/zinc/47/37/03/524473703.db2.gz VVVAPWDCSTYCCJ-JTQLQIEISA-N 2 1 275.223 3.423 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000155998267 524922603 /nfs/dbraw/zinc/92/26/03/524922603.db2.gz RJMUBDDKVJDQSR-FUHWJXTLSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000155998267 524922613 /nfs/dbraw/zinc/92/26/13/524922613.db2.gz RJMUBDDKVJDQSR-FUHWJXTLSA-N 2 1 298.430 3.465 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157463342 525331330 /nfs/dbraw/zinc/33/13/30/525331330.db2.gz QSECTBDBJLVINB-UYHISHBKSA-N 2 1 282.387 3.491 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000157862219 525335635 /nfs/dbraw/zinc/33/56/35/525335635.db2.gz KECSWFXWDQRXNH-KBPBESRZSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)CCC2 ZINC000278875024 525397800 /nfs/dbraw/zinc/39/78/00/525397800.db2.gz CCLXLFWEXICXBK-GJZGRUSLSA-N 2 1 295.430 3.285 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423382345 534879728 /nfs/dbraw/zinc/87/97/28/534879728.db2.gz OVRFZFHDGJUPKM-GMXVVIOVSA-N 2 1 281.469 3.366 20 0 CGADMP CC(C)(C)C[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359227297 527703990 /nfs/dbraw/zinc/70/39/90/527703990.db2.gz WBWKCNDEAAINEX-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000436272756 527766434 /nfs/dbraw/zinc/76/64/34/527766434.db2.gz SMKAFFREYYSLPG-KZNAEPCWSA-N 2 1 296.499 3.434 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Cc2cccs2)[C@H](C)C1 ZINC000167467140 527800824 /nfs/dbraw/zinc/80/08/24/527800824.db2.gz YSUIRTDOVGYHEF-SQWLQELKSA-N 2 1 280.481 3.247 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414235057 527804030 /nfs/dbraw/zinc/80/40/30/527804030.db2.gz TXKYQBGHBPQWBY-RHSMWYFYSA-N 2 1 289.467 3.199 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414235057 527804037 /nfs/dbraw/zinc/80/40/37/527804037.db2.gz TXKYQBGHBPQWBY-RHSMWYFYSA-N 2 1 289.467 3.199 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)c1 ZINC000367602927 527846097 /nfs/dbraw/zinc/84/60/97/527846097.db2.gz WUCCAYZSLHOMQY-QGZVFWFLSA-N 2 1 298.434 3.029 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1 ZINC000356829002 527846905 /nfs/dbraw/zinc/84/69/05/527846905.db2.gz CRJUHUFFHTXYDN-CRAIPNDOSA-N 2 1 290.451 3.043 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1(C)C ZINC000423271137 528067305 /nfs/dbraw/zinc/06/73/05/528067305.db2.gz XHKMQJXAJVAKIW-OWCLPIDISA-N 2 1 282.472 3.076 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519747 528076300 /nfs/dbraw/zinc/07/63/00/528076300.db2.gz QLBUAWQWXXQTDC-BFWZDYSYSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423283226 528161681 /nfs/dbraw/zinc/16/16/81/528161681.db2.gz DZPFINYMJYJOQS-CYBMUJFWSA-N 2 1 264.413 3.109 20 0 CGADMP CCCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423378280 528238359 /nfs/dbraw/zinc/23/83/59/528238359.db2.gz WKWLSGPGLOQEOJ-UONOGXRCSA-N 2 1 264.413 3.253 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000414079188 528262293 /nfs/dbraw/zinc/26/22/93/528262293.db2.gz SOGXLDCJZPYMQO-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)CC(C)C ZINC000449071961 528281730 /nfs/dbraw/zinc/28/17/30/528281730.db2.gz CSVPVEURYSRNLO-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423375673 528421065 /nfs/dbraw/zinc/42/10/65/528421065.db2.gz DAOFBHYRHBUQBK-NWDGAFQWSA-N 2 1 288.357 3.224 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1csc(C)c1 ZINC000449325058 528449486 /nfs/dbraw/zinc/44/94/86/528449486.db2.gz JOBREQSMGPFQQP-UHFFFAOYSA-N 2 1 266.454 3.364 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1csc(C)c1 ZINC000449325058 528449492 /nfs/dbraw/zinc/44/94/92/528449492.db2.gz JOBREQSMGPFQQP-UHFFFAOYSA-N 2 1 266.454 3.364 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511776 528494296 /nfs/dbraw/zinc/49/42/96/528494296.db2.gz PAECIXFKBIQGHM-KBAYOESNSA-N 2 1 274.452 3.170 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423306008 528516360 /nfs/dbraw/zinc/51/63/60/528516360.db2.gz DDAIOMJDQAFDJE-GRYCIOLGSA-N 2 1 286.872 3.483 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423275399 528533909 /nfs/dbraw/zinc/53/39/09/528533909.db2.gz NDDDEUPJLAQVDB-MFKMUULPSA-N 2 1 290.329 3.219 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000423428148 528598836 /nfs/dbraw/zinc/59/88/36/528598836.db2.gz JEPFEGLSEFBWTA-BVIHXZOGSA-N 2 1 299.245 3.498 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C(C)C)CC2)[C@H](C)C1 ZINC000358381536 528668766 /nfs/dbraw/zinc/66/87/66/528668766.db2.gz MEWUUUCGEVGLCF-SJORKVTESA-N 2 1 296.499 3.149 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000359040629 528669179 /nfs/dbraw/zinc/66/91/79/528669179.db2.gz ZPNLUKLZTUWWTM-TVFCKZIOSA-N 2 1 296.499 3.149 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)cc1OC ZINC000423458198 528690390 /nfs/dbraw/zinc/69/03/90/528690390.db2.gz GPZVQQRBMASKMN-DZGCQCFKSA-N 2 1 294.439 3.262 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)c2ccccc21 ZINC000423275322 528766912 /nfs/dbraw/zinc/76/69/12/528766912.db2.gz LQJFRGSZZSUJEM-BBWFWOEESA-N 2 1 258.409 3.198 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(CC)s1 ZINC000423298863 528824113 /nfs/dbraw/zinc/82/41/13/528824113.db2.gz PAKPGPCTHYTZDN-NEPJUHHUSA-N 2 1 254.443 3.479 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000437769068 528837584 /nfs/dbraw/zinc/83/75/84/528837584.db2.gz CZSMQFDFBXBLOL-MRXNPFEDSA-N 2 1 290.451 3.043 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423292874 528954124 /nfs/dbraw/zinc/95/41/24/528954124.db2.gz OTZHRCFPZAFSHD-CYBMUJFWSA-N 2 1 271.408 3.403 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423283190 528955036 /nfs/dbraw/zinc/95/50/36/528955036.db2.gz DVPVSKUESKNUJB-ZDUSSCGKSA-N 2 1 282.428 3.470 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000423304568 528956766 /nfs/dbraw/zinc/95/67/66/528956766.db2.gz YZPCYCJEHWFCHA-DGCLKSJQSA-N 2 1 268.376 3.002 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423261352 529069242 /nfs/dbraw/zinc/06/92/42/529069242.db2.gz JUHDUIIVKRDMAH-GXFFZTMASA-N 2 1 285.229 3.083 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000495076448 535215622 /nfs/dbraw/zinc/21/56/22/535215622.db2.gz ASDHONLJGBUSBB-MRXNPFEDSA-N 2 1 284.513 3.183 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459726911 535368592 /nfs/dbraw/zinc/36/85/92/535368592.db2.gz GSHGYYSUDJXUAI-JKSUJKDBSA-N 2 1 252.446 3.443 20 0 CGADMP CCCc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000482018946 535431340 /nfs/dbraw/zinc/43/13/40/535431340.db2.gz SKJLEEDRPNBKLY-UHFFFAOYSA-N 2 1 274.452 3.413 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCSc2ccccc2)CC1 ZINC000086485651 535456806 /nfs/dbraw/zinc/45/68/06/535456806.db2.gz IHKPQESNVRZUPO-UHFFFAOYSA-N 2 1 278.465 3.195 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCSc2ccccc2)CC1 ZINC000086485651 535456810 /nfs/dbraw/zinc/45/68/10/535456810.db2.gz IHKPQESNVRZUPO-UHFFFAOYSA-N 2 1 278.465 3.195 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512050559 535526616 /nfs/dbraw/zinc/52/66/16/535526616.db2.gz CVYZHASGUJENSQ-QTLSWZBMSA-N 2 1 294.389 3.300 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3ccoc32)C1 ZINC000459799161 536384388 /nfs/dbraw/zinc/38/43/88/536384388.db2.gz YNIZCULUGIDTRH-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000459775358 536384940 /nfs/dbraw/zinc/38/49/40/536384940.db2.gz JMXPWQJLTSDMBV-MXWWQKGMSA-N 2 1 290.426 3.393 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccoc2)c1 ZINC000727467887 571748054 /nfs/dbraw/zinc/74/80/54/571748054.db2.gz GUDOJLJTKQYWQU-UHFFFAOYSA-N 2 1 272.392 3.410 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccns1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119733 618107144 /nfs/dbraw/zinc/10/71/44/618107144.db2.gz PYKYJCZOIZTTQM-RDBSUJKOSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccns1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119733 618107149 /nfs/dbraw/zinc/10/71/49/618107149.db2.gz PYKYJCZOIZTTQM-RDBSUJKOSA-N 2 1 293.480 3.447 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C)CCCc1cncn1C ZINC000933764202 618319456 /nfs/dbraw/zinc/31/94/56/618319456.db2.gz NGLZZIYQKUKQKY-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000933764202 618319466 /nfs/dbraw/zinc/31/94/66/618319466.db2.gz NGLZZIYQKUKQKY-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000933764202 618319472 /nfs/dbraw/zinc/31/94/72/618319472.db2.gz NGLZZIYQKUKQKY-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP CCC1CCC([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051919195 618666911 /nfs/dbraw/zinc/66/69/11/618666911.db2.gz OBAXBLLZUMHWKG-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)cn1 ZINC000926544404 618732568 /nfs/dbraw/zinc/73/25/68/618732568.db2.gz ZWPRALKVMKKMTG-OAHLLOKOSA-N 2 1 292.471 3.064 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000892479640 618803039 /nfs/dbraw/zinc/80/30/39/618803039.db2.gz JOMMQAKAVBFFKG-UHFFFAOYSA-N 2 1 292.471 3.043 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000783226060 618898892 /nfs/dbraw/zinc/89/88/92/618898892.db2.gz ZHOQMYBKNIAQMF-WMLDXEAASA-N 2 1 260.425 3.415 20 0 CGADMP CCCSC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000893030139 618980955 /nfs/dbraw/zinc/98/09/55/618980955.db2.gz PXOPECLZIKCWAW-CYBMUJFWSA-N 2 1 269.458 3.093 20 0 CGADMP c1ccc(CC2([NH2+][C@H]3CC[NH2+]C34CCC4)CCC2)cc1 ZINC000925593003 619077987 /nfs/dbraw/zinc/07/79/87/619077987.db2.gz CDBODYVSRVRJKL-INIZCTEOSA-N 2 1 270.420 3.026 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194214212 619138093 /nfs/dbraw/zinc/13/80/93/619138093.db2.gz GBWHZLTVBWMTHU-BBWFWOEESA-N 2 1 280.456 3.027 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](CCCSC(C)(C)C)CC1 ZINC000931353459 619151005 /nfs/dbraw/zinc/15/10/05/619151005.db2.gz DKLQVJXCGLXSNV-UHFFFAOYSA-N 2 1 272.502 3.324 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435195 619162886 /nfs/dbraw/zinc/16/28/86/619162886.db2.gz AIYMNXZQYRGAHB-JIYQYTEPSA-N 2 1 290.838 3.237 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C/C=C\c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435195 619162889 /nfs/dbraw/zinc/16/28/89/619162889.db2.gz AIYMNXZQYRGAHB-JIYQYTEPSA-N 2 1 290.838 3.237 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C\c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435195 619162894 /nfs/dbraw/zinc/16/28/94/619162894.db2.gz AIYMNXZQYRGAHB-JIYQYTEPSA-N 2 1 290.838 3.237 20 0 CGADMP CCC[N@@H+](CCc1cccs1)CC1CC[NH+](C)CC1 ZINC000893627010 619249436 /nfs/dbraw/zinc/24/94/36/619249436.db2.gz VSCJFMOORSPZIC-UHFFFAOYSA-N 2 1 280.481 3.344 20 0 CGADMP C1C[C@@H]2C[C@@H]([NH2+]C3CCCCCCC3)CC[N@H+]2C1 ZINC000106868891 619255666 /nfs/dbraw/zinc/25/56/66/619255666.db2.gz BZKYCQUXAMZQDQ-JKSUJKDBSA-N 2 1 250.430 3.316 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925810499 619258740 /nfs/dbraw/zinc/25/87/40/619258740.db2.gz ALGIBOWTQCHMBU-YCPHGPKFSA-N 2 1 273.424 3.313 20 0 CGADMP C[N@@H+](Cc1cccc(C2CC2)c1)C1CCC([NH3+])CC1 ZINC000094522291 619259520 /nfs/dbraw/zinc/25/95/20/619259520.db2.gz YPTCACYSDVOOCD-UHFFFAOYSA-N 2 1 258.409 3.266 20 0 CGADMP Cc1coc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000893967699 619342104 /nfs/dbraw/zinc/34/21/04/619342104.db2.gz RJYLGWQGGLSIEM-UHFFFAOYSA-N 2 1 264.413 3.140 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc[nH]2)cc1 ZINC000894176561 619406470 /nfs/dbraw/zinc/40/64/70/619406470.db2.gz UITQKUQYSGOXFQ-OAHLLOKOSA-N 2 1 298.434 3.074 20 0 CGADMP CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924917429 619440118 /nfs/dbraw/zinc/44/01/18/619440118.db2.gz QNBUAPXTYQBSFR-HZPDHXFCSA-N 2 1 291.483 3.129 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924917429 619440121 /nfs/dbraw/zinc/44/01/21/619440121.db2.gz QNBUAPXTYQBSFR-HZPDHXFCSA-N 2 1 291.483 3.129 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(O)cc(F)c2)C1 ZINC000924959595 619461726 /nfs/dbraw/zinc/46/17/26/619461726.db2.gz KERGSBJWVFBGEZ-KBPBESRZSA-N 2 1 294.414 3.302 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(O)cc(F)c2)C1 ZINC000924959595 619461727 /nfs/dbraw/zinc/46/17/27/619461727.db2.gz KERGSBJWVFBGEZ-KBPBESRZSA-N 2 1 294.414 3.302 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000924961873 619463445 /nfs/dbraw/zinc/46/34/45/619463445.db2.gz XDZJNHFPWGOVNE-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000924971972 619469027 /nfs/dbraw/zinc/46/90/27/619469027.db2.gz DHXUAFDWDRIBTB-INIZCTEOSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261979778 619510150 /nfs/dbraw/zinc/51/01/50/619510150.db2.gz RFXZRRPGRWIPRT-LBPRGKRZSA-N 2 1 286.341 3.185 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925050954 619511241 /nfs/dbraw/zinc/51/12/41/619511241.db2.gz HAMYBGGXXWOLBX-UPTPFMHGSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925050954 619511243 /nfs/dbraw/zinc/51/12/43/619511243.db2.gz HAMYBGGXXWOLBX-UPTPFMHGSA-N 2 1 294.483 3.188 20 0 CGADMP FC(F)(F)c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262059163 619644009 /nfs/dbraw/zinc/64/40/09/619644009.db2.gz QYVUHSZYEZFXBP-UHFFFAOYSA-N 2 1 298.352 3.281 20 0 CGADMP CC(C)(C)c1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262130426 619738717 /nfs/dbraw/zinc/73/87/17/619738717.db2.gz YCILBDIFQWMEPT-UHFFFAOYSA-N 2 1 293.480 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)sn1 ZINC000895375850 619817437 /nfs/dbraw/zinc/81/74/37/619817437.db2.gz FBDSZEZOJZWIAM-IUODEOHRSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)sn1 ZINC000895375850 619817440 /nfs/dbraw/zinc/81/74/40/619817440.db2.gz FBDSZEZOJZWIAM-IUODEOHRSA-N 2 1 281.469 3.004 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1C[C@H]1C ZINC000840715924 620165050 /nfs/dbraw/zinc/16/50/50/620165050.db2.gz UFWVBLHFCFSQEE-KCXAZCMYSA-N 2 1 284.407 3.100 20 0 CGADMP CCc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897985454 620462654 /nfs/dbraw/zinc/46/26/54/620462654.db2.gz NGNFGSKPRGTQMQ-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP CCSc1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926923408 620549415 /nfs/dbraw/zinc/54/94/15/620549415.db2.gz PQVHYBIVQFPIMK-ZBFHGGJFSA-N 2 1 292.492 3.413 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1coc2ccccc12 ZINC000924656093 620556652 /nfs/dbraw/zinc/55/66/52/620556652.db2.gz OJQYYHWGZUFZSM-CQSZACIVSA-N 2 1 290.407 3.052 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@@H+]1CCCC[C@H]1C ZINC000924661297 620558073 /nfs/dbraw/zinc/55/80/73/620558073.db2.gz OEVGHVBSMDQJQC-YZDRTPDPSA-N 2 1 282.497 3.266 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@H+]1CCCC[C@H]1C ZINC000924661297 620558075 /nfs/dbraw/zinc/55/80/75/620558075.db2.gz OEVGHVBSMDQJQC-YZDRTPDPSA-N 2 1 282.497 3.266 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2[C@H](C)CC[C@H]2C)cn1 ZINC000924723231 620577392 /nfs/dbraw/zinc/57/73/92/620577392.db2.gz JZHRTDJEXHJHKQ-CHWSQXEVSA-N 2 1 284.407 3.100 20 0 CGADMP Cl/C=C/C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000898434760 620587769 /nfs/dbraw/zinc/58/77/69/620587769.db2.gz YEYGNFAHOFKJGY-ONNFQVAWSA-N 2 1 278.827 3.036 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000924750590 620621542 /nfs/dbraw/zinc/62/15/42/620621542.db2.gz FZSANVOPTIDUOS-JKSUJKDBSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000924750590 620621544 /nfs/dbraw/zinc/62/15/44/620621544.db2.gz FZSANVOPTIDUOS-JKSUJKDBSA-N 2 1 289.467 3.113 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2COc3c2cccc3Cl)C1 ZINC000902352314 621284477 /nfs/dbraw/zinc/28/44/77/621284477.db2.gz KNTWWQOKKYXKGX-BXUZGUMPSA-N 2 1 294.826 3.141 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000902360753 621289084 /nfs/dbraw/zinc/28/90/84/621289084.db2.gz JLNKJRNFWNOVFC-ZDUSSCGKSA-N 2 1 276.399 3.183 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cncs1 ZINC000902454462 621332726 /nfs/dbraw/zinc/33/27/26/621332726.db2.gz HUQOOKGIHJLQLA-UPJWGTAASA-N 2 1 267.442 3.105 20 0 CGADMP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902468218 621339776 /nfs/dbraw/zinc/33/97/76/621339776.db2.gz NGABANCBSPAUCR-WRCBOWBKSA-N 2 1 290.838 3.459 20 0 CGADMP C1CC1([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000902725948 621413463 /nfs/dbraw/zinc/41/34/63/621413463.db2.gz GGXGHNUHIPAOTE-HZPDHXFCSA-N 2 1 262.441 3.316 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]CCn1cc[nH+]c1C ZINC000902783125 621440133 /nfs/dbraw/zinc/44/01/33/621440133.db2.gz YASZJDRFFBVWJZ-SCLBCKFNSA-N 2 1 299.418 3.113 20 0 CGADMP CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903056192 621544976 /nfs/dbraw/zinc/54/49/76/621544976.db2.gz RIPQAMFIPJPZCV-VHRNVKJDSA-N 2 1 250.430 3.314 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903057976 621546138 /nfs/dbraw/zinc/54/61/38/621546138.db2.gz MGCVQZHQVLYCTO-ZBSSRIJBSA-N 2 1 288.435 3.348 20 0 CGADMP c1cc2c(o1)CCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903064313 621551471 /nfs/dbraw/zinc/55/14/71/621551471.db2.gz BTWJATKEZFUZJC-WNLZPSQYSA-N 2 1 286.419 3.404 20 0 CGADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903064313 621551477 /nfs/dbraw/zinc/55/14/77/621551477.db2.gz BTWJATKEZFUZJC-WNLZPSQYSA-N 2 1 286.419 3.404 20 0 CGADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903064313 621551478 /nfs/dbraw/zinc/55/14/78/621551478.db2.gz BTWJATKEZFUZJC-WNLZPSQYSA-N 2 1 286.419 3.404 20 0 CGADMP CC(C)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903152538 621599246 /nfs/dbraw/zinc/59/92/46/621599246.db2.gz DWRLDSOQMUEQOB-VHRNVKJDSA-N 2 1 264.457 3.416 20 0 CGADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C[C@H]1CCCCO1 ZINC000903154231 621600582 /nfs/dbraw/zinc/60/05/82/621600582.db2.gz USLPKHVSQJGTTA-NXCDMZCRSA-N 2 1 292.467 3.083 20 0 CGADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903185346 621616941 /nfs/dbraw/zinc/61/69/41/621616941.db2.gz DTYIRMSXJOKEDR-PPHJYPGKSA-N 2 1 262.441 3.026 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCCO1 ZINC000903196800 621622379 /nfs/dbraw/zinc/62/23/79/621622379.db2.gz RNPIQUKSFBETCU-JQWQUYJUSA-N 2 1 292.467 3.082 20 0 CGADMP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C2CC2)nc1 ZINC000903223879 621635017 /nfs/dbraw/zinc/63/50/17/621635017.db2.gz LVDIBXKBNJIDRB-KTWXZFIHSA-N 2 1 297.446 3.280 20 0 CGADMP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)nc1 ZINC000903223879 621635020 /nfs/dbraw/zinc/63/50/20/621635020.db2.gz LVDIBXKBNJIDRB-KTWXZFIHSA-N 2 1 297.446 3.280 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000903353092 621710413 /nfs/dbraw/zinc/71/04/13/621710413.db2.gz BNFZJYFEEZWNMK-BFYDXBDKSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000903353092 621710420 /nfs/dbraw/zinc/71/04/20/621710420.db2.gz BNFZJYFEEZWNMK-BFYDXBDKSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382160 621723652 /nfs/dbraw/zinc/72/36/52/621723652.db2.gz CYFQETUOHOZAJH-GOEBONIOSA-N 2 1 263.429 3.243 20 0 CGADMP [NH3+]C1CC[NH+](Cc2cc(Cl)cc3ccccc32)CC1 ZINC000903422055 621751573 /nfs/dbraw/zinc/75/15/73/621751573.db2.gz VBKVQYGKAQJPOB-UHFFFAOYSA-N 2 1 274.795 3.416 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc3cc[nH]c3c1)CC[NH2+]CC2 ZINC000903460055 621752495 /nfs/dbraw/zinc/75/24/95/621752495.db2.gz VVZQWFICVNMOFV-CQSZACIVSA-N 2 1 283.419 3.132 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1F ZINC000903458671 621752689 /nfs/dbraw/zinc/75/26/89/621752689.db2.gz GVBUJUVBTGMWIX-WQGACYEGSA-N 2 1 282.378 3.251 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(C3CCCCC3)CC2)CC1 ZINC000903448807 621759548 /nfs/dbraw/zinc/75/95/48/621759548.db2.gz TUNHYBOGQRUMCY-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498453 621765630 /nfs/dbraw/zinc/76/56/30/621765630.db2.gz FSRINUYFGBZXRN-GDBMZVCRSA-N 2 1 290.451 3.235 20 0 CGADMP CC(C)CCc1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000903497463 621767044 /nfs/dbraw/zinc/76/70/44/621767044.db2.gz YDRKVHAVOXZVEZ-ZIAGYGMSSA-N 2 1 295.496 3.148 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903565198 621767331 /nfs/dbraw/zinc/76/73/31/621767331.db2.gz FZYFDQFSEAFKSH-HNNXBMFYSA-N 2 1 295.496 3.307 20 0 CGADMP C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903565657 621767721 /nfs/dbraw/zinc/76/77/21/621767721.db2.gz APFFFERWQYUJDK-CIRFHOKZSA-N 2 1 272.436 3.382 20 0 CGADMP CC(C)C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccn1 ZINC000903575207 621768316 /nfs/dbraw/zinc/76/83/16/621768316.db2.gz IAAONACHHTZYQK-UHFFFAOYSA-N 2 1 289.467 3.319 20 0 CGADMP COc1ccc(C[N@@H+](C[C@H]2CCCC[NH2+]C2)C2CC2)cc1 ZINC000903717815 621795388 /nfs/dbraw/zinc/79/53/88/621795388.db2.gz DOASRBQRHOCYRC-INIZCTEOSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1cc(C)nc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000903748949 621799740 /nfs/dbraw/zinc/79/97/40/621799740.db2.gz DVFQNIPAORSOSA-UHFFFAOYSA-N 2 1 275.440 3.039 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H]2CCCC[NH2+]C2)s1 ZINC000903739433 621800811 /nfs/dbraw/zinc/80/08/11/621800811.db2.gz JPIOZDYKCDZERG-KGLIPLIRSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CCCC[NH2+]C2)s1 ZINC000903739433 621800814 /nfs/dbraw/zinc/80/08/14/621800814.db2.gz JPIOZDYKCDZERG-KGLIPLIRSA-N 2 1 295.496 3.396 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CCCC[NH2+]C1)CCC2 ZINC000903739328 621800935 /nfs/dbraw/zinc/80/09/35/621800935.db2.gz HKLZGMNXXYBLKY-HIFRSBDPSA-N 2 1 293.480 3.150 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC2CCCC2)CCC1 ZINC000903810360 621813724 /nfs/dbraw/zinc/81/37/24/621813724.db2.gz BLXLMDHRKAKMFV-HNNXBMFYSA-N 2 1 250.430 3.160 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000903891669 621823978 /nfs/dbraw/zinc/82/39/78/621823978.db2.gz NFODLLKPMVWXDR-VWERESMYSA-N 2 1 288.410 3.146 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903873578 621824560 /nfs/dbraw/zinc/82/45/60/621824560.db2.gz TZJQCVQPVKEZSB-ALOPSCKCSA-N 2 1 288.435 3.048 20 0 CGADMP Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903876219 621825443 /nfs/dbraw/zinc/82/54/43/621825443.db2.gz FSPDRRHAPSTJCD-LJQANCHMSA-N 2 1 295.430 3.008 20 0 CGADMP Fc1cccc(C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000903879687 621825451 /nfs/dbraw/zinc/82/54/51/621825451.db2.gz HHKWYTAYJUOHDJ-ZXFUBFMLSA-N 2 1 288.410 3.321 20 0 CGADMP Cc1ccc([C@H](C)[N@H+](C)C[C@@H]([NH3+])CC(F)F)c(C)c1 ZINC000903880559 621825501 /nfs/dbraw/zinc/82/55/01/621825501.db2.gz UEGIOCPIBOMYJI-STQMWFEESA-N 2 1 270.367 3.279 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(F)F)c(C)c1 ZINC000903880559 621825503 /nfs/dbraw/zinc/82/55/03/621825503.db2.gz UEGIOCPIBOMYJI-STQMWFEESA-N 2 1 270.367 3.279 20 0 CGADMP CCC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCc2ccccc21 ZINC000903884357 621826783 /nfs/dbraw/zinc/82/67/83/621826783.db2.gz XRYPJUAEMMAWSR-HIFRSBDPSA-N 2 1 282.378 3.368 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000903893046 621827483 /nfs/dbraw/zinc/82/74/83/621827483.db2.gz PAJKQTTXDKFGGD-LBPRGKRZSA-N 2 1 260.372 3.015 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000903893046 621827485 /nfs/dbraw/zinc/82/74/85/621827485.db2.gz PAJKQTTXDKFGGD-LBPRGKRZSA-N 2 1 260.372 3.015 20 0 CGADMP C[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903917274 621836338 /nfs/dbraw/zinc/83/63/38/621836338.db2.gz YEQMMMZSIDBKFJ-GDBMZVCRSA-N 2 1 282.378 3.066 20 0 CGADMP C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903917274 621836339 /nfs/dbraw/zinc/83/63/39/621836339.db2.gz YEQMMMZSIDBKFJ-GDBMZVCRSA-N 2 1 282.378 3.066 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974279 621844213 /nfs/dbraw/zinc/84/42/13/621844213.db2.gz SVUDBOXJDLAGQN-IKGGRYGDSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299823 621901241 /nfs/dbraw/zinc/90/12/41/621901241.db2.gz PDMDICFKTFKFRS-PWSUYJOCSA-N 2 1 286.341 3.323 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299823 621901245 /nfs/dbraw/zinc/90/12/45/621901245.db2.gz PDMDICFKTFKFRS-PWSUYJOCSA-N 2 1 286.341 3.323 20 0 CGADMP COCC[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000904309845 621903299 /nfs/dbraw/zinc/90/32/99/621903299.db2.gz QRKCQGGHOIRTED-SJLPKXTDSA-N 2 1 290.451 3.086 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000904358319 621913126 /nfs/dbraw/zinc/91/31/26/621913126.db2.gz LBTVNPVZSJDSQY-IAGOWNOFSA-N 2 1 291.483 3.210 20 0 CGADMP COCc1cccc(C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1 ZINC000904364234 621915330 /nfs/dbraw/zinc/91/53/30/621915330.db2.gz JEIJCTBJHQNVKR-INIZCTEOSA-N 2 1 278.440 3.076 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)c(F)c2)C[C@H]1CC[NH3+] ZINC000904389368 621915736 /nfs/dbraw/zinc/91/57/36/621915736.db2.gz WOYMFEOCWYOLMD-ZYHUDNBSSA-N 2 1 286.341 3.180 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CCCC1 ZINC000904376548 621916477 /nfs/dbraw/zinc/91/64/77/621916477.db2.gz BJMJYWPFPJCZPK-UHFFFAOYSA-N 2 1 272.314 3.124 20 0 CGADMP CC(C)(C)CC[C@@H](N)C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000904384647 621916672 /nfs/dbraw/zinc/91/66/72/621916672.db2.gz LAFLYZZDSNPABW-CVEARBPZSA-N 2 1 295.515 3.042 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410843 621918854 /nfs/dbraw/zinc/91/88/54/621918854.db2.gz IZDIRTZNDLWNCV-OCCSQVGLSA-N 2 1 272.392 3.158 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000904411387 621919199 /nfs/dbraw/zinc/91/91/99/621919199.db2.gz UXCJWHDHPVEWAW-IAGOWNOFSA-N 2 1 290.451 3.152 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(C)o1 ZINC000163567943 622340688 /nfs/dbraw/zinc/34/06/88/622340688.db2.gz OAIUERZNBIDKOM-CQSZACIVSA-N 2 1 278.440 3.498 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC000229060740 623096294 /nfs/dbraw/zinc/09/62/94/623096294.db2.gz UJMLTONQUZXSLZ-WDBKCZKBSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC000229060740 623096301 /nfs/dbraw/zinc/09/63/01/623096301.db2.gz UJMLTONQUZXSLZ-WDBKCZKBSA-N 2 1 282.790 3.038 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCCCCC[NH3+] ZINC000062019080 623192320 /nfs/dbraw/zinc/19/23/20/623192320.db2.gz JNFHWOCGSCRIOA-ZDUSSCGKSA-N 2 1 252.377 3.338 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccccc2C)C1 ZINC000174217844 623372552 /nfs/dbraw/zinc/37/25/52/623372552.db2.gz WUJSGRXPAXNIKF-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccccc2C)C1 ZINC000174217844 623372563 /nfs/dbraw/zinc/37/25/63/623372563.db2.gz WUJSGRXPAXNIKF-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000929686106 623508183 /nfs/dbraw/zinc/50/81/83/623508183.db2.gz DVUZEMUKJTVTKV-SFHVURJKSA-N 2 1 287.451 3.149 20 0 CGADMP Cc1cc(C)nc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000929686106 623508188 /nfs/dbraw/zinc/50/81/88/623508188.db2.gz DVUZEMUKJTVTKV-SFHVURJKSA-N 2 1 287.451 3.149 20 0 CGADMP Cc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(C)o1 ZINC000759188278 623521309 /nfs/dbraw/zinc/52/13/09/623521309.db2.gz VASWEYZQYJZJBF-UHFFFAOYSA-N 2 1 264.413 3.108 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC000929780791 623634288 /nfs/dbraw/zinc/63/42/88/623634288.db2.gz HHDRFWLWQNLUQV-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC000929780791 623634281 /nfs/dbraw/zinc/63/42/81/623634281.db2.gz HHDRFWLWQNLUQV-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC000929780791 623634285 /nfs/dbraw/zinc/63/42/85/623634285.db2.gz HHDRFWLWQNLUQV-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC000929780791 623634289 /nfs/dbraw/zinc/63/42/89/623634289.db2.gz HHDRFWLWQNLUQV-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP [NH3+]CC[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000070073914 624947137 /nfs/dbraw/zinc/94/71/37/624947137.db2.gz SBBQJGXWHRQTDP-LBPRGKRZSA-N 2 1 289.810 3.453 20 0 CGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000070171147 624975856 /nfs/dbraw/zinc/97/58/56/624975856.db2.gz NOKHHKZFQAVQOS-LBPRGKRZSA-N 2 1 281.469 3.001 20 0 CGADMP Cc1c(Cl)ccc(C[NH2+]CCc2c[nH+]cn2C)c1Cl ZINC000922273541 625992419 /nfs/dbraw/zinc/99/24/19/625992419.db2.gz IBBJZILIQNLNRU-UHFFFAOYSA-N 2 1 298.217 3.368 20 0 CGADMP CSC1CCC(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000922419322 626004606 /nfs/dbraw/zinc/00/46/06/626004606.db2.gz ORYCKPANCFGPSY-UHFFFAOYSA-N 2 1 293.480 3.159 20 0 CGADMP C(=C/[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)\c1ccccc1 ZINC000923272698 626141948 /nfs/dbraw/zinc/14/19/48/626141948.db2.gz OZKANQALHJNMKY-GFOMBABLSA-N 2 1 270.420 3.164 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493277 626158448 /nfs/dbraw/zinc/15/84/48/626158448.db2.gz RDXFFTXQKMETAH-KGLIPLIRSA-N 2 1 278.465 3.215 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497675 626158463 /nfs/dbraw/zinc/15/84/63/626158463.db2.gz IVWOSUHOQGDPBL-BBRMVZONSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000923530710 626161668 /nfs/dbraw/zinc/16/16/68/626161668.db2.gz IGPCZUSRKFTCNE-YCPHGPKFSA-N 2 1 278.465 3.001 20 0 CGADMP c1ccc(CC[N@H+](CCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000923556861 626164204 /nfs/dbraw/zinc/16/42/04/626164204.db2.gz YLPMAIJQATWHMT-UHFFFAOYSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnc(Cl)c1 ZINC000765039175 627237695 /nfs/dbraw/zinc/23/76/95/627237695.db2.gz QLMAVGUXIPXEDL-FPMFFAJLSA-N 2 1 279.815 3.012 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnc(Cl)c1 ZINC000765039175 627237696 /nfs/dbraw/zinc/23/76/96/627237696.db2.gz QLMAVGUXIPXEDL-FPMFFAJLSA-N 2 1 279.815 3.012 20 0 CGADMP COc1ccc2c(c1)[nH+]ccc2N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000765505259 627255151 /nfs/dbraw/zinc/25/51/51/627255151.db2.gz DWSVZDTXOVFWBS-CQSZACIVSA-N 2 1 299.418 3.021 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000767413613 627406469 /nfs/dbraw/zinc/40/64/69/627406469.db2.gz CTHYFDKTKXQKGM-GOSISDBHSA-N 2 1 290.426 3.489 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000767413617 627406631 /nfs/dbraw/zinc/40/66/31/627406631.db2.gz CTHYFDKTKXQKGM-SFHVURJKSA-N 2 1 290.426 3.489 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000769877440 627587000 /nfs/dbraw/zinc/58/70/00/627587000.db2.gz WPIIEDPMVBXRPR-ZIAGYGMSSA-N 2 1 293.455 3.318 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000125156559 634605332 /nfs/dbraw/zinc/60/53/32/634605332.db2.gz NXSBWGKEXCCOGM-SFHVURJKSA-N 2 1 290.426 3.489 20 0 CGADMP c1ccc2c(c1)CC[C@H]2C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000780288655 628478682 /nfs/dbraw/zinc/47/86/82/628478682.db2.gz LOJZLHOGFSPURX-AEFFLSMTSA-N 2 1 284.447 3.134 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000783229370 628690970 /nfs/dbraw/zinc/69/09/70/628690970.db2.gz FPQOMMHGCPZURC-YCPHGPKFSA-N 2 1 278.465 3.348 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000783229370 628690973 /nfs/dbraw/zinc/69/09/73/628690973.db2.gz FPQOMMHGCPZURC-YCPHGPKFSA-N 2 1 278.465 3.348 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863483044 629588543 /nfs/dbraw/zinc/58/85/43/629588543.db2.gz PEJODLBIQGHUPU-DOMZBBRYSA-N 2 1 278.827 3.145 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(Cl)n1 ZINC000797595428 629967037 /nfs/dbraw/zinc/96/70/37/629967037.db2.gz BJEFRDCCOXKBKM-UHFFFAOYSA-N 2 1 293.842 3.007 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(C)(C)C)c2)CC[N@H+]1C ZINC000865475334 630140862 /nfs/dbraw/zinc/14/08/62/630140862.db2.gz LBAHPLQVMCCNBK-GDBMZVCRSA-N 2 1 290.451 3.436 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000815559196 631795846 /nfs/dbraw/zinc/79/58/46/631795846.db2.gz ZXXPBXSVNZSMJJ-KGLIPLIRSA-N 2 1 276.399 3.269 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817897573 632231375 /nfs/dbraw/zinc/23/13/75/632231375.db2.gz SDDOJNFKHXAQMO-IAOVAPTHSA-N 2 1 276.399 3.144 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc2c(c1)CCO2 ZINC000817958693 632253777 /nfs/dbraw/zinc/25/37/77/632253777.db2.gz LRIZUPICKRFDAW-HZPDHXFCSA-N 2 1 276.424 3.036 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000817961738 632257415 /nfs/dbraw/zinc/25/74/15/632257415.db2.gz BHYVVBHSUAUKKQ-ZFWWWQNUSA-N 2 1 264.413 3.253 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817979929 632270435 /nfs/dbraw/zinc/27/04/35/632270435.db2.gz QDJNARIWIJFYGW-ONGXEEELSA-N 2 1 274.380 3.389 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818615052 632341728 /nfs/dbraw/zinc/34/17/28/632341728.db2.gz LCZWVVOCAYLSEJ-APHBMKBZSA-N 2 1 262.397 3.006 20 0 CGADMP CCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000818984388 632359948 /nfs/dbraw/zinc/35/99/48/632359948.db2.gz GKBWYEGFZSRGSU-IRXDYDNUSA-N 2 1 284.488 3.028 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000865804615 632894821 /nfs/dbraw/zinc/89/48/21/632894821.db2.gz CHZSUSPTDMWGJX-KBAYOESNSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000865804615 632894823 /nfs/dbraw/zinc/89/48/23/632894823.db2.gz CHZSUSPTDMWGJX-KBAYOESNSA-N 2 1 294.483 3.331 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000866243057 633041631 /nfs/dbraw/zinc/04/16/31/633041631.db2.gz FQDNOAHAJHDRNK-IKGGRYGDSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000866243057 633041634 /nfs/dbraw/zinc/04/16/34/633041634.db2.gz FQDNOAHAJHDRNK-IKGGRYGDSA-N 2 1 289.467 3.113 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCc1cccnc1 ZINC000866266126 633052018 /nfs/dbraw/zinc/05/20/18/633052018.db2.gz WXKRCXMEVJOUBS-AEFFLSMTSA-N 2 1 289.467 3.257 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCc1cccnc1 ZINC000866266126 633052023 /nfs/dbraw/zinc/05/20/23/633052023.db2.gz WXKRCXMEVJOUBS-AEFFLSMTSA-N 2 1 289.467 3.257 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000866397667 633122742 /nfs/dbraw/zinc/12/27/42/633122742.db2.gz IOTBOCDNQIUDFE-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000866397667 633122746 /nfs/dbraw/zinc/12/27/46/633122746.db2.gz IOTBOCDNQIUDFE-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP COC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000866561757 633191961 /nfs/dbraw/zinc/19/19/61/633191961.db2.gz KNQAPCLOBFDSPG-NXYGQSRBSA-N 2 1 294.483 3.331 20 0 CGADMP COC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000866561757 633191978 /nfs/dbraw/zinc/19/19/78/633191978.db2.gz KNQAPCLOBFDSPG-NXYGQSRBSA-N 2 1 294.483 3.331 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583657 633202453 /nfs/dbraw/zinc/20/24/53/633202453.db2.gz DECZILSMMXVGSR-UWWQBHOKSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583657 633202457 /nfs/dbraw/zinc/20/24/57/633202457.db2.gz DECZILSMMXVGSR-UWWQBHOKSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583657 633202461 /nfs/dbraw/zinc/20/24/61/633202461.db2.gz DECZILSMMXVGSR-UWWQBHOKSA-N 2 1 290.426 3.173 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000866720004 633235384 /nfs/dbraw/zinc/23/53/84/633235384.db2.gz GKZANCMROXYMQM-INIZCTEOSA-N 2 1 261.413 3.046 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000829444022 633734035 /nfs/dbraw/zinc/73/40/35/633734035.db2.gz QGQKWTXCOMMGEA-AWEZNQCLSA-N 2 1 286.410 3.230 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+]1CCCC1 ZINC000872021199 633941976 /nfs/dbraw/zinc/94/19/76/633941976.db2.gz OKFGHBXOTMCATN-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)CC ZINC000872025643 633946178 /nfs/dbraw/zinc/94/61/78/633946178.db2.gz QRLQZIBSRWXGBV-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCCOC1 ZINC000872053813 633977205 /nfs/dbraw/zinc/97/72/05/633977205.db2.gz WVMRALJRSNRHQU-BZSNNMDCSA-N 2 1 296.499 3.149 20 0 CGADMP CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000872075689 633999107 /nfs/dbraw/zinc/99/91/07/633999107.db2.gz UECFBNAKZCFKCS-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000846217921 636161353 /nfs/dbraw/zinc/16/13/53/636161353.db2.gz IWLNYNXDTRKFQK-OAHLLOKOSA-N 2 1 290.407 3.071 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000846217527 636161395 /nfs/dbraw/zinc/16/13/95/636161395.db2.gz JHKREBJXDBPVLQ-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(Nc3ccccc3)C2)CC1(C)C ZINC000872132588 634054232 /nfs/dbraw/zinc/05/42/32/634054232.db2.gz GRBVUXDDQVTJRE-KLAILNCOSA-N 2 1 287.451 3.092 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000872155347 634065521 /nfs/dbraw/zinc/06/55/21/634065521.db2.gz JZVARCQQQDEFGQ-UHFFFAOYSA-N 2 1 278.440 3.425 20 0 CGADMP CC[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834878170 634263456 /nfs/dbraw/zinc/26/34/56/634263456.db2.gz OCZCAKVYOTVVGU-FVPDABNVSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)c1cnc(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000873231320 634292667 /nfs/dbraw/zinc/29/26/67/634292667.db2.gz FVONQAFVOHARBG-UHFFFAOYSA-N 2 1 269.458 3.217 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)cc1 ZINC000019912851 634376073 /nfs/dbraw/zinc/37/60/73/634376073.db2.gz XQKRREVFTSGBCX-CQSZACIVSA-N 2 1 264.388 3.180 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)cc1 ZINC000019912851 634376079 /nfs/dbraw/zinc/37/60/79/634376079.db2.gz XQKRREVFTSGBCX-CQSZACIVSA-N 2 1 264.388 3.180 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000876925142 634929626 /nfs/dbraw/zinc/92/96/26/634929626.db2.gz VFTISHFBVFLURX-WMZOPIPTSA-N 2 1 270.420 3.354 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000876925142 634929627 /nfs/dbraw/zinc/92/96/27/634929627.db2.gz VFTISHFBVFLURX-WMZOPIPTSA-N 2 1 270.420 3.354 20 0 CGADMP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)sn1 ZINC000877525319 635072058 /nfs/dbraw/zinc/07/20/58/635072058.db2.gz ZABZAZJCKHDVEZ-UHFFFAOYSA-N 2 1 289.448 3.145 20 0 CGADMP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)sn1 ZINC000877525319 635072062 /nfs/dbraw/zinc/07/20/62/635072062.db2.gz ZABZAZJCKHDVEZ-UHFFFAOYSA-N 2 1 289.448 3.145 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841078079 635118999 /nfs/dbraw/zinc/11/89/99/635118999.db2.gz FKSQHUHYAKTGFT-RKDXNWHRSA-N 2 1 278.343 3.124 20 0 CGADMP CCc1nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cs1 ZINC000877684137 635145647 /nfs/dbraw/zinc/14/56/47/635145647.db2.gz HYEDHIRKFSBYRI-UHFFFAOYSA-N 2 1 293.480 3.013 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744973 635178628 /nfs/dbraw/zinc/17/86/28/635178628.db2.gz YTYZUBYQFLIXDJ-SJLPKXTDSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744973 635178634 /nfs/dbraw/zinc/17/86/34/635178634.db2.gz YTYZUBYQFLIXDJ-SJLPKXTDSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744973 635178669 /nfs/dbraw/zinc/17/86/69/635178669.db2.gz YTYZUBYQFLIXDJ-SJLPKXTDSA-N 2 1 270.420 3.090 20 0 CGADMP CC(C)C[N@@H+](CC1CCSCC1)CC1CC[NH+](C)CC1 ZINC000877767354 635193425 /nfs/dbraw/zinc/19/34/25/635193425.db2.gz FPXPJHTTZLKSKR-UHFFFAOYSA-N 2 1 298.540 3.429 20 0 CGADMP CC(C)C[N@H+](Cc1ccc(F)nc1)CC1CC[NH+](C)CC1 ZINC000877767874 635194514 /nfs/dbraw/zinc/19/45/14/635194514.db2.gz XRBRSWJVTKLTBM-UHFFFAOYSA-N 2 1 293.430 3.021 20 0 CGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000877794060 635204856 /nfs/dbraw/zinc/20/48/56/635204856.db2.gz FBBKHLJUKHDLDP-MRXNPFEDSA-N 2 1 278.440 3.020 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000878120323 635366736 /nfs/dbraw/zinc/36/67/36/635366736.db2.gz GUDBSSDXBOUCJS-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878123763 635367711 /nfs/dbraw/zinc/36/77/11/635367711.db2.gz FGLPXKYZOGOYPV-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])C1(C)C ZINC000842473506 635377199 /nfs/dbraw/zinc/37/71/99/635377199.db2.gz WREPZUCJINHLRH-GJZGRUSLSA-N 2 1 270.461 3.031 20 0 CGADMP COc1ccccc1[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842473294 635377231 /nfs/dbraw/zinc/37/72/31/635377231.db2.gz SZNYPVFHCSNZDW-INIZCTEOSA-N 2 1 290.451 3.394 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@@H](c2ccsc2)O1 ZINC000842472773 635377872 /nfs/dbraw/zinc/37/78/72/635377872.db2.gz KGUQNDRMCSWHJR-ZBFHGGJFSA-N 2 1 296.480 3.419 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000842472717 635377973 /nfs/dbraw/zinc/37/79/73/635377973.db2.gz JGFDXYSVYHZVLH-FUHWJXTLSA-N 2 1 290.451 3.358 20 0 CGADMP Cc1nc([C@H]2CCC[N@H+]2CCCCCCC[NH3+])cs1 ZINC000842475982 635378100 /nfs/dbraw/zinc/37/81/00/635378100.db2.gz CPJCDTJDFUFDCW-OAHLLOKOSA-N 2 1 281.469 3.498 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC000878159380 635384668 /nfs/dbraw/zinc/38/46/68/635384668.db2.gz KLDOBBUCESQFBF-HNNXBMFYSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878159380 635384677 /nfs/dbraw/zinc/38/46/77/635384677.db2.gz KLDOBBUCESQFBF-HNNXBMFYSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878159380 635384688 /nfs/dbraw/zinc/38/46/88/635384688.db2.gz KLDOBBUCESQFBF-HNNXBMFYSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CCCSC(C)(C)C)CC1 ZINC000878235340 635426518 /nfs/dbraw/zinc/42/65/18/635426518.db2.gz DSCZRYOXMAZNLM-UHFFFAOYSA-N 2 1 272.502 3.371 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC000878287366 635444282 /nfs/dbraw/zinc/44/42/82/635444282.db2.gz AHHJAERYOYRQSJ-CQSZACIVSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H]1CCCC1(F)F ZINC000878287366 635444284 /nfs/dbraw/zinc/44/42/84/635444284.db2.gz AHHJAERYOYRQSJ-CQSZACIVSA-N 2 1 285.382 3.339 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCSC(C)(C)C)CC1 ZINC000878513162 635538605 /nfs/dbraw/zinc/53/86/05/635538605.db2.gz WKZVQTAUCPMMIS-CQSZACIVSA-N 2 1 272.502 3.324 20 0 CGADMP CCCCCCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000843048424 635549932 /nfs/dbraw/zinc/54/99/32/635549932.db2.gz SXEYVBRHDNQSRM-KRWDZBQOSA-N 2 1 290.451 3.426 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000843053779 635551500 /nfs/dbraw/zinc/55/15/00/635551500.db2.gz JEQKETHTASQKAI-AYHJJNSGSA-N 2 1 270.420 3.020 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)C1CCC([NH3+])CC1 ZINC000843055311 635552884 /nfs/dbraw/zinc/55/28/84/635552884.db2.gz XWTXOGAFKODARJ-NSCUHMNNSA-N 2 1 280.362 3.180 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000843103383 635558803 /nfs/dbraw/zinc/55/88/03/635558803.db2.gz ACJMEMXSSRSWKW-UHFFFAOYSA-N 2 1 286.391 3.315 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843120381 635560747 /nfs/dbraw/zinc/56/07/47/635560747.db2.gz ICKJKTDXVLEOLQ-UHFFFAOYSA-N 2 1 288.435 3.051 20 0 CGADMP COc1cccc2cc(C[N@H+]3CCCC[C@H]3CC[NH3+])oc21 ZINC000843124386 635561096 /nfs/dbraw/zinc/56/10/96/635561096.db2.gz ZXFWHXITEOLHSQ-AWEZNQCLSA-N 2 1 288.391 3.145 20 0 CGADMP FC(F)(F)c1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843358215 635654017 /nfs/dbraw/zinc/65/40/17/635654017.db2.gz DJNZGNYQKZDIHC-IUODEOHRSA-N 2 1 298.352 3.452 20 0 CGADMP FC(F)(F)c1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843358215 635654020 /nfs/dbraw/zinc/65/40/20/635654020.db2.gz DJNZGNYQKZDIHC-IUODEOHRSA-N 2 1 298.352 3.452 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@H](CF)C1)[NH+]1CCC[C@@H](CF)C1 ZINC000880233910 635945107 /nfs/dbraw/zinc/94/51/07/635945107.db2.gz AORPDEXHMZSZEU-OAGGEKHMSA-N 2 1 288.426 3.128 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@H](CF)C1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880233910 635945111 /nfs/dbraw/zinc/94/51/11/635945111.db2.gz AORPDEXHMZSZEU-OAGGEKHMSA-N 2 1 288.426 3.128 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@H](CF)C1)[N@H+]1CCC[C@@H](CF)C1 ZINC000880233910 635945115 /nfs/dbraw/zinc/94/51/15/635945115.db2.gz AORPDEXHMZSZEU-OAGGEKHMSA-N 2 1 288.426 3.128 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259391 635959827 /nfs/dbraw/zinc/95/98/27/635959827.db2.gz RSOZHYJAQPYTBS-KGLIPLIRSA-N 2 1 297.393 3.274 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc2c1CCC2 ZINC000844902994 635980859 /nfs/dbraw/zinc/98/08/59/635980859.db2.gz WWKRNCOWIBRWHZ-ALOPSCKCSA-N 2 1 270.420 3.020 20 0 CGADMP Cc1ccccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880469708 636006750 /nfs/dbraw/zinc/00/67/50/636006750.db2.gz DOCUKJGUBHESDN-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](CCOC2CCCCCC2)CC1 ZINC000880473105 636007543 /nfs/dbraw/zinc/00/75/43/636007543.db2.gz PLENCKZQXOLNDR-UHFFFAOYSA-N 2 1 294.483 3.286 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4cnccc4o3)C2)CC1 ZINC000845969720 636125757 /nfs/dbraw/zinc/12/57/57/636125757.db2.gz ORDNVCADFLESMP-UHFFFAOYSA-N 2 1 299.418 3.136 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCCCC[NH3+] ZINC000846218999 636161962 /nfs/dbraw/zinc/16/19/62/636161962.db2.gz BZXFOURQJWKJHJ-RDJZCZTQSA-N 2 1 260.425 3.384 20 0 CGADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846219690 636162366 /nfs/dbraw/zinc/16/23/66/636162366.db2.gz VVYSTBKAWOSCCK-ZDUSSCGKSA-N 2 1 264.388 3.264 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000846219655 636162389 /nfs/dbraw/zinc/16/23/89/636162389.db2.gz UTAPSBLNIVLFLQ-UHFFFAOYSA-N 2 1 270.486 3.257 20 0 CGADMP CC1(C)CC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC(C)(C)C1 ZINC000129731306 636358074 /nfs/dbraw/zinc/35/80/74/636358074.db2.gz OPAMUVKFHGRGLU-CVEARBPZSA-N 2 1 294.483 3.044 20 0 CGADMP CC1(C)CC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC(C)(C)C1 ZINC000129731306 636358077 /nfs/dbraw/zinc/35/80/77/636358077.db2.gz OPAMUVKFHGRGLU-CVEARBPZSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883228383 636598657 /nfs/dbraw/zinc/59/86/57/636598657.db2.gz MATUJLCJJZHOBO-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1(C)C ZINC000883319654 636670486 /nfs/dbraw/zinc/67/04/86/636670486.db2.gz LBYAYIDEMCQKAI-LJISPDSOSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@H]2CCC[C@H]21 ZINC000883327386 636677013 /nfs/dbraw/zinc/67/70/13/636677013.db2.gz XQLYUVUWUBSWCP-VNQPRFMTSA-N 2 1 294.826 3.008 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@H]2CCC[C@H]21 ZINC000883327386 636677020 /nfs/dbraw/zinc/67/70/20/636677020.db2.gz XQLYUVUWUBSWCP-VNQPRFMTSA-N 2 1 294.826 3.008 20 0 CGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000849060416 636735716 /nfs/dbraw/zinc/73/57/16/636735716.db2.gz VXPWYNOPHYLAHS-OAHLLOKOSA-N 2 1 284.492 3.045 20 0 CGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000849063840 636737216 /nfs/dbraw/zinc/73/72/16/636737216.db2.gz QUIZKNREIJLCSR-CVEARBPZSA-N 2 1 296.503 3.047 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000131740291 636743879 /nfs/dbraw/zinc/74/38/79/636743879.db2.gz XFDRRDQXWLPCEO-VXGBXAGGSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000131740291 636743888 /nfs/dbraw/zinc/74/38/88/636743888.db2.gz XFDRRDQXWLPCEO-VXGBXAGGSA-N 2 1 289.810 3.057 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000883429270 636752266 /nfs/dbraw/zinc/75/22/66/636752266.db2.gz QWZLSJUEJDFFEU-RRFJBIMHSA-N 2 1 286.410 3.133 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C(C)(C)O1 ZINC000883430471 636753352 /nfs/dbraw/zinc/75/33/52/636753352.db2.gz VUEBFZPTPFJHGG-ARFHVFGLSA-N 2 1 294.483 3.044 20 0 CGADMP [NH3+]C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000883430101 636753513 /nfs/dbraw/zinc/75/35/13/636753513.db2.gz NHHJYZNWBPMCCW-KBPBESRZSA-N 2 1 274.399 3.309 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000850359403 637027716 /nfs/dbraw/zinc/02/77/16/637027716.db2.gz GZDCAQIQGCVKPU-NJAFHUGGSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000850359403 637027722 /nfs/dbraw/zinc/02/77/22/637027722.db2.gz GZDCAQIQGCVKPU-NJAFHUGGSA-N 2 1 270.420 3.348 20 0 CGADMP Cc1coc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000886041326 637382496 /nfs/dbraw/zinc/38/24/96/637382496.db2.gz MLTCZEWBOQMXFR-OAHLLOKOSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1coc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000886041326 637382502 /nfs/dbraw/zinc/38/25/02/637382502.db2.gz MLTCZEWBOQMXFR-OAHLLOKOSA-N 2 1 264.413 3.046 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000886162394 637442799 /nfs/dbraw/zinc/44/27/99/637442799.db2.gz OMHIOKNENHPXQE-JFIYKMOQSA-N 2 1 294.483 3.331 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000886162394 637442804 /nfs/dbraw/zinc/44/28/04/637442804.db2.gz OMHIOKNENHPXQE-JFIYKMOQSA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000851751666 637492798 /nfs/dbraw/zinc/49/27/98/637492798.db2.gz VSFXCISVSDIXTB-UHFFFAOYSA-N 2 1 279.255 3.358 20 0 CGADMP c1cnc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000886517872 637549309 /nfs/dbraw/zinc/54/93/09/637549309.db2.gz VKGAQBWZTCJJDM-SFHVURJKSA-N 2 1 299.462 3.313 20 0 CGADMP CC1([NH+]2CCCC2)CCC([NH2+]C2(C(F)F)CC2)CC1 ZINC000886607713 637601990 /nfs/dbraw/zinc/60/19/90/637601990.db2.gz XNGBRNBFVZTSLB-UHFFFAOYSA-N 2 1 272.383 3.171 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852761121 637708083 /nfs/dbraw/zinc/70/80/83/637708083.db2.gz QVQYMFVERYHVSZ-QGZVFWFLSA-N 2 1 276.424 3.049 20 0 CGADMP COc1cccc([C@]2(C)CC[N@@H+](CCCCCC[NH3+])C2)c1 ZINC000852758844 637708149 /nfs/dbraw/zinc/70/81/49/637708149.db2.gz FSENNZWRKVDRIH-GOSISDBHSA-N 2 1 290.451 3.178 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873959 637716134 /nfs/dbraw/zinc/71/61/34/637716134.db2.gz CJJJMVCWPKICAJ-QWHCGFSZSA-N 2 1 291.266 3.036 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000887134755 637755160 /nfs/dbraw/zinc/75/51/60/637755160.db2.gz PRARKXVZDWMCHV-UONOGXRCSA-N 2 1 295.377 3.028 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H](Nc2[nH+]ccc3c(N)cccc32)C1 ZINC000853412160 637839167 /nfs/dbraw/zinc/83/91/67/637839167.db2.gz WZSMQYCNKHVOPV-STQMWFEESA-N 2 1 284.407 3.102 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1(Cl)CC1 ZINC000924603836 638372723 /nfs/dbraw/zinc/37/27/23/638372723.db2.gz WWRAZNBEYNFVFW-AWEZNQCLSA-N 2 1 292.854 3.184 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1(Cl)CC1 ZINC000924603836 638372730 /nfs/dbraw/zinc/37/27/30/638372730.db2.gz WWRAZNBEYNFVFW-AWEZNQCLSA-N 2 1 292.854 3.184 20 0 CGADMP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@@H+]1CCCC[C@@H]1C ZINC000924659734 638385183 /nfs/dbraw/zinc/38/51/83/638385183.db2.gz GLQCVJUVRYFJOJ-LCMLCXGQSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@H+]1CCCC[C@@H]1C ZINC000924659734 638385186 /nfs/dbraw/zinc/38/51/86/638385186.db2.gz GLQCVJUVRYFJOJ-LCMLCXGQSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000924694212 638389289 /nfs/dbraw/zinc/38/92/89/638389289.db2.gz KXHAIIXRKMMWHK-MAUKXSAKSA-N 2 1 289.467 3.113 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000924873729 638418221 /nfs/dbraw/zinc/41/82/21/638418221.db2.gz OECZWUNFYCDCJX-LBPRGKRZSA-N 2 1 268.364 3.024 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000924918664 638424627 /nfs/dbraw/zinc/42/46/27/638424627.db2.gz XHANGNWCUFRVKU-BQFCYCMXSA-N 2 1 289.467 3.113 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000924918664 638424633 /nfs/dbraw/zinc/42/46/33/638424633.db2.gz XHANGNWCUFRVKU-BQFCYCMXSA-N 2 1 289.467 3.113 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000924954941 638430961 /nfs/dbraw/zinc/43/09/61/638430961.db2.gz LVKFZTPGVANEGN-BQFCYCMXSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccns1 ZINC000925085475 638448820 /nfs/dbraw/zinc/44/88/20/638448820.db2.gz HRWUVCJVOUYTLT-DGCLKSJQSA-N 2 1 269.458 3.160 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000925132714 638457780 /nfs/dbraw/zinc/45/77/80/638457780.db2.gz JHKKHXLTLSKWQE-LBPRGKRZSA-N 2 1 291.370 3.167 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(Sc3ccccc3)C2)CC[N@@H+]1C ZINC000925141133 638459077 /nfs/dbraw/zinc/45/90/77/638459077.db2.gz LCRZJCHLISGOSE-LXTOLFJKSA-N 2 1 290.476 3.382 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(Sc3ccccc3)C2)CC[N@H+]1C ZINC000925141133 638459079 /nfs/dbraw/zinc/45/90/79/638459079.db2.gz LCRZJCHLISGOSE-LXTOLFJKSA-N 2 1 290.476 3.382 20 0 CGADMP Cc1csc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925479735 638508926 /nfs/dbraw/zinc/50/89/26/638508926.db2.gz RXMPWYHXGCMIIU-SRVKXCTJSA-N 2 1 267.442 3.008 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000925657895 638559452 /nfs/dbraw/zinc/55/94/52/638559452.db2.gz UVPOATAJUDAZSH-OBJOEFQTSA-N 2 1 268.351 3.100 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000925713194 638575979 /nfs/dbraw/zinc/57/59/79/638575979.db2.gz WQWUSERKLLBPKQ-CABCVRRESA-N 2 1 250.430 3.053 20 0 CGADMP c1[nH]nc2c1CCC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000857853333 638577878 /nfs/dbraw/zinc/57/78/78/638577878.db2.gz CDZLNZGFPBYNCG-MRXNPFEDSA-N 2 1 290.455 3.033 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925746821 638595007 /nfs/dbraw/zinc/59/50/07/638595007.db2.gz COFNGQSWSAOTFP-OUCADQQQSA-N 2 1 293.480 3.175 20 0 CGADMP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000925862046 638633678 /nfs/dbraw/zinc/63/36/78/638633678.db2.gz WPXKYUNYOJLJAQ-MMZJAPOHSA-N 2 1 299.462 3.128 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1(C)C ZINC000858162173 638646749 /nfs/dbraw/zinc/64/67/49/638646749.db2.gz RBHOSNHGXPEUJC-HZPDHXFCSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccnc(Cl)c1 ZINC000858490956 638741370 /nfs/dbraw/zinc/74/13/70/638741370.db2.gz TZTGLLVZRFOYDX-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccnc(Cl)c1 ZINC000858490956 638741371 /nfs/dbraw/zinc/74/13/71/638741371.db2.gz TZTGLLVZRFOYDX-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CCC2)CC[N@H+]1C ZINC000926923918 638826042 /nfs/dbraw/zinc/82/60/42/638826042.db2.gz TVGDJURUFXDVBZ-RHSMWYFYSA-N 2 1 290.426 3.320 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H](CN(C)C)OCC)c1ccsc1 ZINC000926963862 638829306 /nfs/dbraw/zinc/82/93/06/638829306.db2.gz VLPHPMXGIANLNK-LSDHHAIUSA-N 2 1 284.469 3.146 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000927035102 638834273 /nfs/dbraw/zinc/83/42/73/638834273.db2.gz FHDPJQALRABCBA-FXUDXRNXSA-N 2 1 294.508 3.267 20 0 CGADMP FCc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929719885 638944962 /nfs/dbraw/zinc/94/49/62/638944962.db2.gz RCANBISZCRKOLD-MRXNPFEDSA-N 2 1 290.426 3.464 20 0 CGADMP FCc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929719885 638944963 /nfs/dbraw/zinc/94/49/63/638944963.db2.gz RCANBISZCRKOLD-MRXNPFEDSA-N 2 1 290.426 3.464 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929778142 638949613 /nfs/dbraw/zinc/94/96/13/638949613.db2.gz QPBKNMJMZPDLTC-YOWGUQMCSA-N 2 1 286.410 3.084 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779655 638950511 /nfs/dbraw/zinc/95/05/11/638950511.db2.gz GYIXLVOWKCZNHH-NVXWUHKLSA-N 2 1 275.440 3.003 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC2CCC2)cc1 ZINC000859212899 639110438 /nfs/dbraw/zinc/11/04/38/639110438.db2.gz KTWAWEJYUXVFCO-UHFFFAOYSA-N 2 1 260.425 3.370 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434647 639148568 /nfs/dbraw/zinc/14/85/68/639148568.db2.gz YJAMCLYGSXLFBE-KWCYVHTRSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434647 639148573 /nfs/dbraw/zinc/14/85/73/639148573.db2.gz YJAMCLYGSXLFBE-KWCYVHTRSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434647 639148577 /nfs/dbraw/zinc/14/85/77/639148577.db2.gz YJAMCLYGSXLFBE-KWCYVHTRSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434647 639148582 /nfs/dbraw/zinc/14/85/82/639148582.db2.gz YJAMCLYGSXLFBE-KWCYVHTRSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434647 639148589 /nfs/dbraw/zinc/14/85/89/639148589.db2.gz YJAMCLYGSXLFBE-KWCYVHTRSA-N 2 1 296.817 3.424 20 0 CGADMP CCc1onc(C)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704099 639192601 /nfs/dbraw/zinc/19/26/01/639192601.db2.gz PQIZETMVXMEGBB-UHFFFAOYSA-N 2 1 293.455 3.243 20 0 CGADMP c1csc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246538486 640681456 /nfs/dbraw/zinc/68/14/56/640681456.db2.gz JSMRROUFYFVYNK-YOEHRIQHSA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246538486 640681463 /nfs/dbraw/zinc/68/14/63/640681463.db2.gz JSMRROUFYFVYNK-YOEHRIQHSA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246538486 640681465 /nfs/dbraw/zinc/68/14/65/640681465.db2.gz JSMRROUFYFVYNK-YOEHRIQHSA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246538486 640681470 /nfs/dbraw/zinc/68/14/70/640681470.db2.gz JSMRROUFYFVYNK-YOEHRIQHSA-N 2 1 290.476 3.239 20 0 CGADMP CC[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133749 640858472 /nfs/dbraw/zinc/85/84/72/640858472.db2.gz FZVRDMLNEOJQQU-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133749 640858474 /nfs/dbraw/zinc/85/84/74/640858474.db2.gz FZVRDMLNEOJQQU-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415134414 640859041 /nfs/dbraw/zinc/85/90/41/640859041.db2.gz DTXPSPFBGQZPJS-SJLPKXTDSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415134414 640859043 /nfs/dbraw/zinc/85/90/43/640859043.db2.gz DTXPSPFBGQZPJS-SJLPKXTDSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CCC(C[NH+](C)C)CC3)c2c1 ZINC000564892438 721945053 /nfs/dbraw/zinc/94/50/53/721945053.db2.gz KUPSXPKGYDNZAC-UHFFFAOYSA-N 2 1 283.419 3.321 20 0 CGADMP CCc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC001158264919 805931017 /nfs/dbraw/zinc/93/10/17/805931017.db2.gz LENZLHNQSAAKFB-DYVFJYSZSA-N 2 1 290.455 3.303 20 0 CGADMP C[NH+]1CCC(N(c2ccc3c([nH+]2)CCC3)C2CCCC2)CC1 ZINC001158487761 805960766 /nfs/dbraw/zinc/96/07/66/805960766.db2.gz AYNBLVGFKDANOF-UHFFFAOYSA-N 2 1 299.462 3.414 20 0 CGADMP COc1ccc2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c2c1 ZINC001158828555 806010307 /nfs/dbraw/zinc/01/03/07/806010307.db2.gz GLDOZBGCRWKYCH-UHFFFAOYSA-N 2 1 297.402 3.141 20 0 CGADMP CC[NH+](CC)c1ccc(Nc2cncc(C[NH3+])c2)c(C)c1 ZINC001159655983 806142367 /nfs/dbraw/zinc/14/23/67/806142367.db2.gz KUYQRCSBUXFWQC-UHFFFAOYSA-N 2 1 284.407 3.439 20 0 CGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NCC[C@@H](C)[NH3+])nc1 ZINC001159779282 806171545 /nfs/dbraw/zinc/17/15/45/806171545.db2.gz DOXHOQZSJPAAGE-GDBMZVCRSA-N 2 1 290.455 3.168 20 0 CGADMP Cc1ccc2cc[nH+]c(NCC[C@H]3CCC[N@H+]3C)c2c1 ZINC001160963802 806328447 /nfs/dbraw/zinc/32/84/47/806328447.db2.gz IMSACIGVRXIKBI-OAHLLOKOSA-N 2 1 269.392 3.439 20 0 CGADMP Cc1ccc2cc[nH+]c(NCC[C@H]3CCC[N@@H+]3C)c2c1 ZINC001160963802 806328457 /nfs/dbraw/zinc/32/84/57/806328457.db2.gz IMSACIGVRXIKBI-OAHLLOKOSA-N 2 1 269.392 3.439 20 0 CGADMP [NH3+]C1(CC2CCC2)CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001161571272 806395386 /nfs/dbraw/zinc/39/53/86/806395386.db2.gz DQZJTMAGKNEMEE-UHFFFAOYSA-N 2 1 285.435 3.058 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C2CCc3ccccc3CC2)CC1 ZINC001254460546 806409336 /nfs/dbraw/zinc/40/93/36/806409336.db2.gz MMWXKEMYNYSFTF-UHFFFAOYSA-N 2 1 286.463 3.350 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C2CCc3ccccc3CC2)CC1 ZINC001254460546 806409341 /nfs/dbraw/zinc/40/93/41/806409341.db2.gz MMWXKEMYNYSFTF-UHFFFAOYSA-N 2 1 286.463 3.350 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCCCCCCCCCO)CC1 ZINC001254506914 806426867 /nfs/dbraw/zinc/42/68/67/806426867.db2.gz CRFDRGKFCGEWOL-KRWDZBQOSA-N 2 1 284.488 3.173 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc3sccc32)CC1 ZINC001254507844 806427494 /nfs/dbraw/zinc/42/74/94/806427494.db2.gz FYAHZBFUOJCMTI-AWEZNQCLSA-N 2 1 274.433 3.475 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254508435 806428110 /nfs/dbraw/zinc/42/81/10/806428110.db2.gz QWAKGAIMYWWVKO-SJORKVTESA-N 2 1 292.854 3.271 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC001254507577 806429040 /nfs/dbraw/zinc/42/90/40/806429040.db2.gz CJOPVQDBJKSPGC-SUMWQHHRSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510368 806430394 /nfs/dbraw/zinc/43/03/94/806430394.db2.gz NQRZLXVGZXKFTE-ULQDDVLXSA-N 3 1 295.515 3.089 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510368 806430401 /nfs/dbraw/zinc/43/04/01/806430401.db2.gz NQRZLXVGZXKFTE-ULQDDVLXSA-N 3 1 295.515 3.089 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510368 806430407 /nfs/dbraw/zinc/43/04/07/806430407.db2.gz NQRZLXVGZXKFTE-ULQDDVLXSA-N 3 1 295.515 3.089 20 0 CGADMP CN1CCC[C@H]([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510368 806430414 /nfs/dbraw/zinc/43/04/14/806430414.db2.gz NQRZLXVGZXKFTE-ULQDDVLXSA-N 2 1 295.515 3.089 20 0 CGADMP CN1CCC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510368 806430416 /nfs/dbraw/zinc/43/04/16/806430416.db2.gz NQRZLXVGZXKFTE-ULQDDVLXSA-N 2 1 295.515 3.089 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCN(C)CC1 ZINC001254511341 806431183 /nfs/dbraw/zinc/43/11/83/806431183.db2.gz ZCSBAVMJQNKTNB-SZMVWBNQSA-N 2 1 295.515 3.231 20 0 CGADMP CCC(CC)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254511341 806431186 /nfs/dbraw/zinc/43/11/86/806431186.db2.gz ZCSBAVMJQNKTNB-SZMVWBNQSA-N 3 1 295.515 3.231 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254511341 806431188 /nfs/dbraw/zinc/43/11/88/806431188.db2.gz ZCSBAVMJQNKTNB-SZMVWBNQSA-N 3 1 295.515 3.231 20 0 CGADMP CCC(CC)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254511341 806431192 /nfs/dbraw/zinc/43/11/92/806431192.db2.gz ZCSBAVMJQNKTNB-SZMVWBNQSA-N 3 1 295.515 3.231 20 0 CGADMP CCC(CC)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254511341 806431194 /nfs/dbraw/zinc/43/11/94/806431194.db2.gz ZCSBAVMJQNKTNB-SZMVWBNQSA-N 3 1 295.515 3.231 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(C)CCC(F)(F)CC2)CC1 ZINC001254512765 806432698 /nfs/dbraw/zinc/43/26/98/806432698.db2.gz RHRODXHYUMYGKE-CYBMUJFWSA-N 2 1 274.399 3.276 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)CCC2 ZINC001254513658 806435154 /nfs/dbraw/zinc/43/51/54/806435154.db2.gz FOGBANQJIHSURO-FUHWJXTLSA-N 2 1 272.436 3.446 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254522967 806438126 /nfs/dbraw/zinc/43/81/26/806438126.db2.gz LFDDJJOSRLDGOU-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254522967 806438128 /nfs/dbraw/zinc/43/81/28/806438128.db2.gz LFDDJJOSRLDGOU-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254522967 806438131 /nfs/dbraw/zinc/43/81/31/806438131.db2.gz LFDDJJOSRLDGOU-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525761 806438167 /nfs/dbraw/zinc/43/81/67/806438167.db2.gz MAEAJTXVWXBQPX-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525761 806438170 /nfs/dbraw/zinc/43/81/70/806438170.db2.gz MAEAJTXVWXBQPX-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525761 806438175 /nfs/dbraw/zinc/43/81/75/806438175.db2.gz MAEAJTXVWXBQPX-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254523783 806438672 /nfs/dbraw/zinc/43/86/72/806438672.db2.gz ROQRBKZWESQNCG-RDJZCZTQSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254523783 806438674 /nfs/dbraw/zinc/43/86/74/806438674.db2.gz ROQRBKZWESQNCG-RDJZCZTQSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254523783 806438676 /nfs/dbraw/zinc/43/86/76/806438676.db2.gz ROQRBKZWESQNCG-RDJZCZTQSA-N 2 1 288.435 3.316 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001254523334 806439713 /nfs/dbraw/zinc/43/97/13/806439713.db2.gz OHJIUQAARUKZSK-ROUUACIJSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001254523334 806439716 /nfs/dbraw/zinc/43/97/16/806439716.db2.gz OHJIUQAARUKZSK-ROUUACIJSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001254523334 806439718 /nfs/dbraw/zinc/43/97/18/806439718.db2.gz OHJIUQAARUKZSK-ROUUACIJSA-N 2 1 272.436 3.350 20 0 CGADMP C[N@H+]([C@H]1CCC[NH+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001254528259 806443161 /nfs/dbraw/zinc/44/31/61/806443161.db2.gz FQPUWRKTZIWIQB-KRWDZBQOSA-N 2 1 274.452 3.424 20 0 CGADMP C[N@@H+]([C@H]1CCC[NH+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001254528259 806443165 /nfs/dbraw/zinc/44/31/65/806443165.db2.gz FQPUWRKTZIWIQB-KRWDZBQOSA-N 2 1 274.452 3.424 20 0 CGADMP C[NH+]([C@H]1CCC[N@H+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001254528259 806443169 /nfs/dbraw/zinc/44/31/69/806443169.db2.gz FQPUWRKTZIWIQB-KRWDZBQOSA-N 2 1 274.452 3.424 20 0 CGADMP C[NH+]([C@H]1CCC[N@@H+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001254528259 806443173 /nfs/dbraw/zinc/44/31/73/806443173.db2.gz FQPUWRKTZIWIQB-KRWDZBQOSA-N 2 1 274.452 3.424 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001254531561 806445488 /nfs/dbraw/zinc/44/54/88/806445488.db2.gz HGJXJRYESKIFGY-QZTJIDSGSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001254531561 806445491 /nfs/dbraw/zinc/44/54/91/806445491.db2.gz HGJXJRYESKIFGY-QZTJIDSGSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001254531561 806445495 /nfs/dbraw/zinc/44/54/95/806445495.db2.gz HGJXJRYESKIFGY-QZTJIDSGSA-N 2 1 290.426 3.317 20 0 CGADMP Cc1cccc(Cl)c1C(=[NH2+])N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254850142 806499155 /nfs/dbraw/zinc/49/91/55/806499155.db2.gz DYDVJVDUNDSZJM-ZDUSSCGKSA-N 2 1 291.826 3.048 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@H]3C[NH2+][C@H](C)C3)[nH+]c2c1 ZINC001162552483 806618364 /nfs/dbraw/zinc/61/83/64/806618364.db2.gz ISJFVCBTPISLSL-ZIAGYGMSSA-N 2 1 269.392 3.262 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255376793 806628432 /nfs/dbraw/zinc/62/84/32/806628432.db2.gz CJGUBTLTUDWGTD-NJAFHUGGSA-N 2 1 272.436 3.287 20 0 CGADMP CSCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383133 806630704 /nfs/dbraw/zinc/63/07/04/806630704.db2.gz FMKFNIUBPHVXBI-QGZVFWFLSA-N 2 1 292.492 3.384 20 0 CGADMP F[C@H]1C[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255386673 806631166 /nfs/dbraw/zinc/63/11/66/806631166.db2.gz PGXQVBUZLSGILI-BZSNNMDCSA-N 2 1 290.426 3.379 20 0 CGADMP Cc1ccc2c(C[C@H](C)[NH3+])cn([C@H]3CCC[N@@H+](C)C3)c2c1 ZINC001255473729 806647596 /nfs/dbraw/zinc/64/75/96/806647596.db2.gz XHZLJWOOAIBGHN-HOCLYGCPSA-N 2 1 285.435 3.106 20 0 CGADMP C[NH+](C)C1CC[NH+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001255513377 806658676 /nfs/dbraw/zinc/65/86/76/806658676.db2.gz FHERNJIFLOYXMZ-UHFFFAOYSA-N 2 1 278.362 3.134 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1CCOC(C)(C)C1 ZINC001255545578 806669502 /nfs/dbraw/zinc/66/95/02/806669502.db2.gz HGKYQUSCWJNOHP-GVDBMIGSSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCOC(C)(C)C1 ZINC001255545578 806669504 /nfs/dbraw/zinc/66/95/04/806669504.db2.gz HGKYQUSCWJNOHP-GVDBMIGSSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCOC(C)(C)C1 ZINC001255545578 806669508 /nfs/dbraw/zinc/66/95/08/806669508.db2.gz HGKYQUSCWJNOHP-GVDBMIGSSA-N 2 1 294.483 3.283 20 0 CGADMP Cc1[nH+]ccc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1F ZINC001162907725 806683218 /nfs/dbraw/zinc/68/32/18/806683218.db2.gz GJESVSUGTUITFM-JTQLQIEISA-N 2 1 269.323 3.493 20 0 CGADMP C[C@H](CC(F)(F)F)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001255634838 806685839 /nfs/dbraw/zinc/68/58/39/806685839.db2.gz ICMBKIJHLVQZIN-NEPJUHHUSA-N 2 1 266.351 3.181 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC1CC2(C1)CCC[NH2+]C2 ZINC001162981873 806689020 /nfs/dbraw/zinc/68/90/20/806689020.db2.gz TXJONSLXOHRVBL-UHFFFAOYSA-N 2 1 281.403 3.487 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000037266989 798864367 /nfs/dbraw/zinc/86/43/67/798864367.db2.gz LBJCPZYAIUWANG-QGZVFWFLSA-N 2 1 272.436 3.483 20 0 CGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000083450561 798939273 /nfs/dbraw/zinc/93/92/73/798939273.db2.gz ONWOPLNLDGLVMP-KBPBESRZSA-N 2 1 295.858 3.193 20 0 CGADMP Cc1cncc([C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001255676825 806702914 /nfs/dbraw/zinc/70/29/14/806702914.db2.gz ODCDCOLNEWIIJV-XVLXNVKGSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cncc([C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001255676825 806702917 /nfs/dbraw/zinc/70/29/17/806702917.db2.gz ODCDCOLNEWIIJV-XVLXNVKGSA-N 2 1 299.462 3.446 20 0 CGADMP C[C@@H]1CCCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255675066 806703004 /nfs/dbraw/zinc/70/30/04/806703004.db2.gz YHQPREGKDJRNCW-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255675066 806703005 /nfs/dbraw/zinc/70/30/05/806703005.db2.gz YHQPREGKDJRNCW-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255675066 806703008 /nfs/dbraw/zinc/70/30/08/806703008.db2.gz YHQPREGKDJRNCW-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255675066 806703009 /nfs/dbraw/zinc/70/30/09/806703009.db2.gz YHQPREGKDJRNCW-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000218608603 799135354 /nfs/dbraw/zinc/13/53/54/799135354.db2.gz OYYURBNGNNYOQQ-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)(C)OC1CC([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000341631865 799288220 /nfs/dbraw/zinc/28/82/20/799288220.db2.gz WXJJOUVGBUEIGN-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C1CC(OC(C)(C)C)C1 ZINC000341628587 799288238 /nfs/dbraw/zinc/28/82/38/799288238.db2.gz RVEKCHNSZMAUIQ-FHERZECASA-N 2 1 282.472 3.139 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C1CC(OC(C)(C)C)C1 ZINC000341628587 799288245 /nfs/dbraw/zinc/28/82/45/799288245.db2.gz RVEKCHNSZMAUIQ-FHERZECASA-N 2 1 282.472 3.139 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C1CC(OC(C)(C)C)C1 ZINC000341628587 799288252 /nfs/dbraw/zinc/28/82/52/799288252.db2.gz RVEKCHNSZMAUIQ-FHERZECASA-N 2 1 282.472 3.139 20 0 CGADMP Cc1ccc(SC[C@@H](C)n2cc[nH+]c2CCC[NH3+])cc1 ZINC001255761386 806739256 /nfs/dbraw/zinc/73/92/56/806739256.db2.gz PDKQRMZDCGJJEG-CQSZACIVSA-N 2 1 289.448 3.436 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000381237561 799374974 /nfs/dbraw/zinc/37/49/74/799374974.db2.gz RFBKZYIJDZRWNL-CYBMUJFWSA-N 2 1 272.314 3.019 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000381237561 799374976 /nfs/dbraw/zinc/37/49/76/799374976.db2.gz RFBKZYIJDZRWNL-CYBMUJFWSA-N 2 1 272.314 3.019 20 0 CGADMP CCC1CCC([N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000385289622 799425341 /nfs/dbraw/zinc/42/53/41/799425341.db2.gz OPLCGIZVBZDHOS-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000385438240 799426129 /nfs/dbraw/zinc/42/61/29/799426129.db2.gz PICPGVSBHFDOGW-NVXWUHKLSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](Nc2ccc3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001163362379 806748310 /nfs/dbraw/zinc/74/83/10/806748310.db2.gz MZAFFSOOUKKTNY-GDBMZVCRSA-N 2 1 287.451 3.491 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2ccc3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001163362379 806748315 /nfs/dbraw/zinc/74/83/15/806748315.db2.gz MZAFFSOOUKKTNY-GDBMZVCRSA-N 2 1 287.451 3.491 20 0 CGADMP CC(C)C1CCC([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000389229465 799460551 /nfs/dbraw/zinc/46/05/51/799460551.db2.gz YXOVOKUBBXZKFO-HPZPOOBXSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC001255782288 806749364 /nfs/dbraw/zinc/74/93/64/806749364.db2.gz XDORKGGOLALQBX-APWZRJJASA-N 2 1 286.463 3.390 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)cc1 ZINC001255782288 806749369 /nfs/dbraw/zinc/74/93/69/806749369.db2.gz XDORKGGOLALQBX-APWZRJJASA-N 2 1 286.463 3.390 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396706015 799510074 /nfs/dbraw/zinc/51/00/74/799510074.db2.gz NATMSHSOFUCMJF-LALPHHSUSA-N 2 1 266.816 3.001 20 0 CGADMP CCN1CCC([N@@H+](C)[C@H](C)Cc2ccccc2F)CC1 ZINC001255851595 806767269 /nfs/dbraw/zinc/76/72/69/806767269.db2.gz RVAOGBBCZLUGEA-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccccc2F)CC1 ZINC001255851595 806767272 /nfs/dbraw/zinc/76/72/72/806767272.db2.gz RVAOGBBCZLUGEA-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccccc2F)CC1 ZINC001255851595 806767280 /nfs/dbraw/zinc/76/72/80/806767280.db2.gz RVAOGBBCZLUGEA-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP Cc1ccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000688009250 799742766 /nfs/dbraw/zinc/74/27/66/799742766.db2.gz BFSPZIUEFIAEKI-UHFFFAOYSA-N 2 1 286.444 3.334 20 0 CGADMP CC1(C)CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCS1 ZINC000688005499 799743745 /nfs/dbraw/zinc/74/37/45/799743745.db2.gz DMOYWPIUOKDUKS-UHFFFAOYSA-N 2 1 296.505 3.111 20 0 CGADMP CC[N@@H+](CCC1CC1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688047216 799745081 /nfs/dbraw/zinc/74/50/81/799745081.db2.gz FWUJOIOSXRSBAT-UHFFFAOYSA-N 2 1 264.438 3.016 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000690736582 799778538 /nfs/dbraw/zinc/77/85/38/799778538.db2.gz AXDGVGFCDRKOCQ-SNVBAGLBSA-N 2 1 273.207 3.164 20 0 CGADMP CCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000697746219 799848079 /nfs/dbraw/zinc/84/80/79/799848079.db2.gz ACWDAKJWJUCYLY-RYUDHWBXSA-N 2 1 266.351 3.026 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699313164 799859223 /nfs/dbraw/zinc/85/92/23/799859223.db2.gz VMJZMUOULVSQQZ-AVOUXACISA-N 2 1 276.399 3.349 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001255948333 806794391 /nfs/dbraw/zinc/79/43/91/806794391.db2.gz JSXWRDPAFLJPBU-WMLDXEAASA-N 2 1 275.440 3.243 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001255940644 806789516 /nfs/dbraw/zinc/78/95/16/806789516.db2.gz FFZRGUUMBCJTQL-GFCCVEGCSA-N 2 1 270.367 3.175 20 0 CGADMP CS[C@@H]1CCCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000707329158 799977168 /nfs/dbraw/zinc/97/71/68/799977168.db2.gz LQMTYNGYVAOHQI-CYBMUJFWSA-N 2 1 296.505 3.111 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000709815472 800018806 /nfs/dbraw/zinc/01/88/06/800018806.db2.gz GQNSGMAJUJHOFA-UBHSHLNASA-N 2 1 284.325 3.017 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000709815472 800018814 /nfs/dbraw/zinc/01/88/14/800018814.db2.gz GQNSGMAJUJHOFA-UBHSHLNASA-N 2 1 284.325 3.017 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C(F)(F)F ZINC000709823558 800019868 /nfs/dbraw/zinc/01/98/68/800019868.db2.gz PERFDWAWISKQGI-CHWSQXEVSA-N 2 1 278.362 3.026 20 0 CGADMP c1ccc(CCCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000709892576 800022217 /nfs/dbraw/zinc/02/22/17/800022217.db2.gz NIEHPXWGIPJFEN-GOSISDBHSA-N 2 1 272.436 3.085 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C)CC2)C1 ZINC000710324825 800033507 /nfs/dbraw/zinc/03/35/07/800033507.db2.gz IZADTFJFVNAJSS-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@](C)(F)CC1 ZINC001255957189 806797806 /nfs/dbraw/zinc/79/78/06/806797806.db2.gz PDGRQYIHGJDRKH-CABCVRRESA-N 2 1 258.425 3.321 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]3C3CC3)CC2)cc1 ZINC000716609044 800175789 /nfs/dbraw/zinc/17/57/89/800175789.db2.gz SMKJTWGKHXCYDH-QZTJIDSGSA-N 2 1 270.420 3.039 20 0 CGADMP C1=CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716715872 800178834 /nfs/dbraw/zinc/17/88/34/800178834.db2.gz FAIDMGYIJZVTPG-WDSOQIARSA-N 2 1 282.431 3.348 20 0 CGADMP C1=C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716719436 800179468 /nfs/dbraw/zinc/17/94/68/800179468.db2.gz SOWCOQNXKYZDFU-VJANTYMQSA-N 2 1 282.431 3.348 20 0 CGADMP CC(C)C[NH+](CC(C)C)C1CC[NH+](C2CC2)CC1 ZINC001256072946 806810295 /nfs/dbraw/zinc/81/02/95/806810295.db2.gz JQEVUFUNKZZSMU-UHFFFAOYSA-N 2 1 252.446 3.227 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256076238 806812734 /nfs/dbraw/zinc/81/27/34/806812734.db2.gz FFQILVLOPPLJFL-KRWDZBQOSA-N 2 1 284.447 3.493 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256076238 806812743 /nfs/dbraw/zinc/81/27/43/806812743.db2.gz FFQILVLOPPLJFL-KRWDZBQOSA-N 2 1 284.447 3.493 20 0 CGADMP C[C@H](COCc1ccccc1)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000719472469 800239101 /nfs/dbraw/zinc/23/91/01/800239101.db2.gz RXBIREIKGPWRPD-ZLPCBKJTSA-N 2 1 290.451 3.041 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)C1CCN(C2CC2)CC1 ZINC001256081232 806816142 /nfs/dbraw/zinc/81/61/42/806816142.db2.gz UYRIBIDGXDUMAU-UHFFFAOYSA-N 2 1 276.399 3.274 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723675166 800336958 /nfs/dbraw/zinc/33/69/58/800336958.db2.gz PHADVSOZPNTZGS-RYUDHWBXSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723674884 800337042 /nfs/dbraw/zinc/33/70/42/800337042.db2.gz GBPGDNJDSYRLTL-RYUDHWBXSA-N 2 1 297.240 3.181 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723690969 800337138 /nfs/dbraw/zinc/33/71/38/800337138.db2.gz CTZJUNAKKSGJQU-IUODEOHRSA-N 2 1 266.816 3.462 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723692313 800338627 /nfs/dbraw/zinc/33/86/27/800338627.db2.gz XWALTEKCYHYIFF-WDEREUQCSA-N 2 1 270.779 3.211 20 0 CGADMP C[C@@H](C[NH+](C)C)Nc1cc(OCc2ccccc2)cc[nH+]1 ZINC001163771870 806823410 /nfs/dbraw/zinc/82/34/10/806823410.db2.gz HTWXIXSRATWKCF-AWEZNQCLSA-N 2 1 285.391 3.023 20 0 CGADMP CSCc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000724725657 800365334 /nfs/dbraw/zinc/36/53/34/800365334.db2.gz ZDYKZOQUEAFGGG-KRWDZBQOSA-N 2 1 292.492 3.371 20 0 CGADMP C[NH+]1CCC([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC001256194538 806846700 /nfs/dbraw/zinc/84/67/00/806846700.db2.gz GNHGAYWGWITZIA-UHFFFAOYSA-N 2 1 280.843 3.345 20 0 CGADMP CN1CCC([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001256208460 806848635 /nfs/dbraw/zinc/84/86/35/806848635.db2.gz JSQYFAUHIZDCSB-INIZCTEOSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001256208460 806848643 /nfs/dbraw/zinc/84/86/43/806848643.db2.gz JSQYFAUHIZDCSB-INIZCTEOSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001256208460 806848651 /nfs/dbraw/zinc/84/86/51/806848651.db2.gz JSQYFAUHIZDCSB-INIZCTEOSA-N 2 1 290.426 3.174 20 0 CGADMP CN1CCC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001256203090 806848690 /nfs/dbraw/zinc/84/86/90/806848690.db2.gz RAGUEVQYIRUJLW-MRXNPFEDSA-N 2 1 262.372 3.057 20 0 CGADMP CC(C)CC[NH+](CCC(C)C)C1CC[NH+](C)CC1 ZINC001256208601 806849503 /nfs/dbraw/zinc/84/95/03/806849503.db2.gz FEVNTYNSIWLXHK-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932383899 800663444 /nfs/dbraw/zinc/66/34/44/800663444.db2.gz OELDOEXATXXBKG-QGZVFWFLSA-N 2 1 284.407 3.108 20 0 CGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)CCC(C)C)CC1 ZINC001256370482 806872421 /nfs/dbraw/zinc/87/24/21/806872421.db2.gz IRVQWPICJDXRNW-SJLPKXTDSA-N 2 1 296.499 3.386 20 0 CGADMP C[C@@H]1C[C@@H](n2cccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256522691 806908952 /nfs/dbraw/zinc/90/89/52/806908952.db2.gz IBWTWWGMDBAZHU-WBVHZDCISA-N 2 1 283.419 3.172 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CC3CC(C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556741 806914045 /nfs/dbraw/zinc/91/40/45/806914045.db2.gz GLPRJBAEYSFSCX-RXQRSOPUSA-N 2 1 284.447 3.381 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256570083 806919597 /nfs/dbraw/zinc/91/95/97/806919597.db2.gz XMGBYBUELNPOIR-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]([NH3+])c1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001256621198 806928437 /nfs/dbraw/zinc/92/84/37/806928437.db2.gz MBGFVXVXSVAYJT-JKXDFHQYSA-N 2 1 283.419 3.459 20 0 CGADMP COc1cccc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256621147 806928472 /nfs/dbraw/zinc/92/84/72/806928472.db2.gz LAKWCZNJZXVWRP-HZTRTUMWSA-N 2 1 288.435 3.014 20 0 CGADMP C1CC2(CCCCC2)[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256690339 806949092 /nfs/dbraw/zinc/94/90/92/806949092.db2.gz HOOYTURYVXTXFY-UHFFFAOYSA-N 2 1 292.467 3.038 20 0 CGADMP Cc1cccc2cc[nH+]c(N3C[C@@H](C[NH3+])CC[C@@H]3C)c12 ZINC001164474796 806951206 /nfs/dbraw/zinc/95/12/06/806951206.db2.gz VOCQFPRBNHKXHT-UONOGXRCSA-N 2 1 269.392 3.107 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccncc1 ZINC001256728194 806960939 /nfs/dbraw/zinc/96/09/39/806960939.db2.gz GUZMBNJLRYGJNV-IAGOWNOFSA-N 2 1 297.446 3.110 20 0 CGADMP CC(C)C[N@@H+]([C@@H](C)Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256731798 806962945 /nfs/dbraw/zinc/96/29/45/806962945.db2.gz POHJRMHJORTLID-SZMVWBNQSA-N 2 1 289.467 3.241 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001116293630 802324902 /nfs/dbraw/zinc/32/49/02/802324902.db2.gz VTLBJPHHXLRZBJ-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001116293968 802325064 /nfs/dbraw/zinc/32/50/64/802325064.db2.gz NLWHZIGTAXBARC-QGTPRVQTSA-N 2 1 290.451 3.089 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC001116296433 802327963 /nfs/dbraw/zinc/32/79/63/802327963.db2.gz UCOCWKHLGLPSON-RCCFBDPRSA-N 2 1 272.436 3.006 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001117748289 802486103 /nfs/dbraw/zinc/48/61/03/802486103.db2.gz VCQHOAUVONHFOB-CCNLRDMRSA-N 2 1 272.436 3.141 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC001117953487 802513539 /nfs/dbraw/zinc/51/35/39/802513539.db2.gz IQGCKXPFGDUXAA-CYBMUJFWSA-N 2 1 258.365 3.034 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccncc3Cl)CC2)C1 ZINC001275405768 808935084 /nfs/dbraw/zinc/93/50/84/808935084.db2.gz GCELQDBAVJTXKO-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256895927 806999821 /nfs/dbraw/zinc/99/98/21/806999821.db2.gz DUNJZPHVFZQHFC-QGZVFWFLSA-N 2 1 272.436 3.226 20 0 CGADMP c1ccc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256895927 806999824 /nfs/dbraw/zinc/99/98/24/806999824.db2.gz DUNJZPHVFZQHFC-QGZVFWFLSA-N 2 1 272.436 3.226 20 0 CGADMP Fc1cccc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256894032 806999856 /nfs/dbraw/zinc/99/98/56/806999856.db2.gz CKIDQUHJJFWHIJ-QGZVFWFLSA-N 2 1 290.426 3.365 20 0 CGADMP Fc1cccc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256894032 806999859 /nfs/dbraw/zinc/99/98/59/806999859.db2.gz CKIDQUHJJFWHIJ-QGZVFWFLSA-N 2 1 290.426 3.365 20 0 CGADMP CC1CC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895076 807001112 /nfs/dbraw/zinc/00/11/12/807001112.db2.gz QKRFKEWJPYLGQL-YMAMQOFZSA-N 2 1 250.430 3.029 20 0 CGADMP CC1CC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895076 807001119 /nfs/dbraw/zinc/00/11/19/807001119.db2.gz QKRFKEWJPYLGQL-YMAMQOFZSA-N 2 1 250.430 3.029 20 0 CGADMP [NH3+][C@H]1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC001256901734 807005291 /nfs/dbraw/zinc/00/52/91/807005291.db2.gz JOTVCHAISPFJHJ-WMZOPIPTSA-N 2 1 299.462 3.304 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001206809383 813443261 /nfs/dbraw/zinc/44/32/61/813443261.db2.gz LNZQUAMOVURCJE-GDBMZVCRSA-N 2 1 290.451 3.423 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCCCC23CC3)CCCC1 ZINC001208185644 813736072 /nfs/dbraw/zinc/73/60/72/813736072.db2.gz HGSMYZANRFPEBG-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCCC[C@](C)(F)C2)CCCC1 ZINC001208184802 813736116 /nfs/dbraw/zinc/73/61/16/813736116.db2.gz PTOQGYQZXQSLSK-HNNXBMFYSA-N 2 1 270.436 3.323 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(F)c12 ZINC001136987158 803668429 /nfs/dbraw/zinc/66/84/29/803668429.db2.gz LMYAOFJPRYRABB-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(F)c12 ZINC001136987158 803668434 /nfs/dbraw/zinc/66/84/34/803668434.db2.gz LMYAOFJPRYRABB-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP Cc1ccc(Cl)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001138035725 803835854 /nfs/dbraw/zinc/83/58/54/803835854.db2.gz XGAYILXHYMIXEO-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP CCc1cccc2c(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)c[nH]c21 ZINC001138366021 803906620 /nfs/dbraw/zinc/90/66/20/803906620.db2.gz QUUIDODKAQOYDF-VQIMIIECSA-N 2 1 297.446 3.114 20 0 CGADMP CCc1cccc2c(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)c[nH]c21 ZINC001138366021 803906628 /nfs/dbraw/zinc/90/66/28/803906628.db2.gz QUUIDODKAQOYDF-VQIMIIECSA-N 2 1 297.446 3.114 20 0 CGADMP CCCO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138547925 803963594 /nfs/dbraw/zinc/96/35/94/803963594.db2.gz WUUAWZIAUFNVGQ-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP CCCO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138547925 803963600 /nfs/dbraw/zinc/96/36/00/803963600.db2.gz WUUAWZIAUFNVGQ-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC001138547505 803965164 /nfs/dbraw/zinc/96/51/64/803965164.db2.gz NJILNECEUXTPJI-INIZCTEOSA-N 2 1 287.382 3.362 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC001138547505 803965168 /nfs/dbraw/zinc/96/51/68/803965168.db2.gz NJILNECEUXTPJI-INIZCTEOSA-N 2 1 287.382 3.362 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](OC(C)C)C2)cc1 ZINC001138548541 803965325 /nfs/dbraw/zinc/96/53/25/803965325.db2.gz HLRHWLTURDYWFZ-SFHVURJKSA-N 2 1 299.418 3.180 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](OC(C)C)C2)cc1 ZINC001138548541 803965331 /nfs/dbraw/zinc/96/53/31/803965331.db2.gz HLRHWLTURDYWFZ-SFHVURJKSA-N 2 1 299.418 3.180 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]2C)cc1 ZINC001138543650 803965384 /nfs/dbraw/zinc/96/53/84/803965384.db2.gz SOSDJEUAEHFJNW-ZDUSSCGKSA-N 2 1 255.365 3.165 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 ZINC001138543650 803965387 /nfs/dbraw/zinc/96/53/87/803965387.db2.gz SOSDJEUAEHFJNW-ZDUSSCGKSA-N 2 1 255.365 3.165 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@@H]2C1 ZINC001138569782 803970507 /nfs/dbraw/zinc/97/05/07/803970507.db2.gz OMQKNPOOSYIJLD-IYBDPMFKSA-N 2 1 278.465 3.139 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@@H]2C1 ZINC001138569782 803970511 /nfs/dbraw/zinc/97/05/11/803970511.db2.gz OMQKNPOOSYIJLD-IYBDPMFKSA-N 2 1 278.465 3.139 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@@H]2C1 ZINC001138569782 803970518 /nfs/dbraw/zinc/97/05/18/803970518.db2.gz OMQKNPOOSYIJLD-IYBDPMFKSA-N 2 1 278.465 3.139 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)sc3C)C[C@@H]2C1 ZINC001138569782 803970521 /nfs/dbraw/zinc/97/05/21/803970521.db2.gz OMQKNPOOSYIJLD-IYBDPMFKSA-N 2 1 278.465 3.139 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4occc4c3)C[C@@H]2C1 ZINC001138825976 804052022 /nfs/dbraw/zinc/05/20/22/804052022.db2.gz KTMIQHWIDNORQF-IRXDYDNUSA-N 2 1 284.403 3.206 20 0 CGADMP Fc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246072635 804110241 /nfs/dbraw/zinc/11/02/41/804110241.db2.gz QDWPVCVCZKOTCF-ZWKOTPCHSA-N 2 1 298.405 3.279 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC001246073248 804110809 /nfs/dbraw/zinc/11/08/09/804110809.db2.gz VWJQNIGFALWUPF-OAHLLOKOSA-N 2 1 268.404 3.364 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246122051 804153020 /nfs/dbraw/zinc/15/30/20/804153020.db2.gz FCLUEYRDFKAIRC-IRXDYDNUSA-N 2 1 260.425 3.130 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C[NH2+]1 ZINC001246157229 804174369 /nfs/dbraw/zinc/17/43/69/804174369.db2.gz BEWDPICFZXKXIO-DOTOQJQBSA-N 2 1 296.414 3.361 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C[NH2+]1 ZINC001246161171 804176939 /nfs/dbraw/zinc/17/69/39/804176939.db2.gz YREDYSTXGHVGPZ-DOTOQJQBSA-N 2 1 296.414 3.361 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162087 804179044 /nfs/dbraw/zinc/17/90/44/804179044.db2.gz XBMSELFFKLNWAW-GVDBMIGSSA-N 2 1 282.472 3.092 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC001246169839 804184026 /nfs/dbraw/zinc/18/40/26/804184026.db2.gz OFRUUFBLRFLLAC-YMAMQOFZSA-N 2 1 252.446 3.323 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246174679 804189212 /nfs/dbraw/zinc/18/92/12/804189212.db2.gz COFIVWUJNXVEMS-RYUDHWBXSA-N 2 1 284.806 3.142 20 0 CGADMP CCCC[N@@H+](C)CCCN[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246185918 804196421 /nfs/dbraw/zinc/19/64/21/804196421.db2.gz WQISWULLKODIIR-BJWYYQGGSA-N 3 1 283.504 3.007 20 0 CGADMP CCCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246185918 804196428 /nfs/dbraw/zinc/19/64/28/804196428.db2.gz WQISWULLKODIIR-BJWYYQGGSA-N 3 1 283.504 3.007 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246185918 804196433 /nfs/dbraw/zinc/19/64/33/804196433.db2.gz WQISWULLKODIIR-BJWYYQGGSA-N 3 1 283.504 3.007 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]Cc1c(C)cc(Cl)cc1Cl ZINC001246196460 804204138 /nfs/dbraw/zinc/20/41/38/804204138.db2.gz FXZZVGTYEYHHHA-SNVBAGLBSA-N 2 1 275.223 3.389 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246221909 804216625 /nfs/dbraw/zinc/21/66/25/804216625.db2.gz PKCGKKBJTLFZEY-UONOGXRCSA-N 2 1 274.399 3.346 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246235919 804228703 /nfs/dbraw/zinc/22/87/03/804228703.db2.gz TWJLDBZQXQPECI-QSPRXWTASA-N 2 1 258.409 3.053 20 0 CGADMP COc1cc(F)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246262057 804244637 /nfs/dbraw/zinc/24/46/37/804244637.db2.gz HKTMANWHPHHUIG-GOEBONIOSA-N 2 1 294.414 3.091 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246264158 804246178 /nfs/dbraw/zinc/24/61/78/804246178.db2.gz FJPKNVHWORSVBH-BHYGNILZSA-N 2 1 262.441 3.361 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246265722 804246490 /nfs/dbraw/zinc/24/64/90/804246490.db2.gz NPWSJMHZYWIIRV-FZMZJTMJSA-N 2 1 298.352 3.425 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001246264085 804246672 /nfs/dbraw/zinc/24/66/72/804246672.db2.gz DYTLAZSJUMZNFY-OXJNMPFZSA-N 2 1 296.458 3.340 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC001246273484 804250041 /nfs/dbraw/zinc/25/00/41/804250041.db2.gz JGSLIZNRPNOZSA-XJKCOSOUSA-N 2 1 264.388 3.253 20 0 CGADMP CC(C)C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1F ZINC001246274608 804251382 /nfs/dbraw/zinc/25/13/82/804251382.db2.gz YETLCBMAXGWFMW-MRXNPFEDSA-N 2 1 264.388 3.255 20 0 CGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001139713614 804263239 /nfs/dbraw/zinc/26/32/39/804263239.db2.gz ZJVCTWREABVFHJ-UHFFFAOYSA-N 2 1 288.435 3.069 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)CC(C)(C)C1 ZINC001246325276 804282531 /nfs/dbraw/zinc/28/25/31/804282531.db2.gz JPJMCMFPURQSNB-MCIONIFRSA-N 2 1 252.446 3.179 20 0 CGADMP CC[C@H](C)C1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246332781 804287433 /nfs/dbraw/zinc/28/74/33/804287433.db2.gz IGFFOQQOQRWHNF-SXDHFHGXSA-N 2 1 252.446 3.321 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246344406 804297018 /nfs/dbraw/zinc/29/70/18/804297018.db2.gz JVYFFVACOILCCQ-PMPSAXMXSA-N 2 1 260.425 3.286 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246408889 804324267 /nfs/dbraw/zinc/32/42/67/804324267.db2.gz XRKUCAIIGRWCDE-JOCBIADPSA-N 3 1 293.499 3.032 20 0 CGADMP FC(F)(F)c1ccccc1CC1([NH2+][C@@H]2CC[NH2+]C2)CCC1 ZINC001246435424 804331543 /nfs/dbraw/zinc/33/15/43/804331543.db2.gz NQBCLPUKBRIXGT-CYBMUJFWSA-N 2 1 298.352 3.122 20 0 CGADMP CCCCCC[C@@H](CCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453453 804336572 /nfs/dbraw/zinc/33/65/72/804336572.db2.gz OVDBIRAQNVCNCB-MRXNPFEDSA-N 3 1 271.493 3.044 20 0 CGADMP CC[C@H](C)[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140020717 804353093 /nfs/dbraw/zinc/35/30/93/804353093.db2.gz APZJLBQSYYMEMU-ZDUSSCGKSA-N 2 1 257.381 3.411 20 0 CGADMP CC[C@H](C)[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140020717 804353100 /nfs/dbraw/zinc/35/31/00/804353100.db2.gz APZJLBQSYYMEMU-ZDUSSCGKSA-N 2 1 257.381 3.411 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCCC2CCCCC2)C[NH2+]1 ZINC001246480223 804354943 /nfs/dbraw/zinc/35/49/43/804354943.db2.gz WRCUQMJRLXMNOI-GDBMZVCRSA-N 2 1 252.446 3.467 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001140025991 804355133 /nfs/dbraw/zinc/35/51/33/804355133.db2.gz HWHVVRDTTUUBMI-KRWDZBQOSA-N 2 1 299.418 3.180 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246518938 804371547 /nfs/dbraw/zinc/37/15/47/804371547.db2.gz JBAJYAMQGRDEIA-IAGOWNOFSA-N 2 1 260.425 3.429 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246518116 804372047 /nfs/dbraw/zinc/37/20/47/804372047.db2.gz DRSGGAYYJIDURC-FVQHAEBGSA-N 2 1 260.425 3.428 20 0 CGADMP CCCC[N@@H+](C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246520932 804374242 /nfs/dbraw/zinc/37/42/42/804374242.db2.gz LZZGOEFEWKWPGB-IAGOWNOFSA-N 2 1 260.425 3.082 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246530254 804381647 /nfs/dbraw/zinc/38/16/47/804381647.db2.gz KOYVOVYKTBCWOE-HZPDHXFCSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246534829 804382498 /nfs/dbraw/zinc/38/24/98/804382498.db2.gz ZLTXACNKZIPIGD-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246532637 804384655 /nfs/dbraw/zinc/38/46/55/804384655.db2.gz XJEYTRJUBKPKTP-CUYAVPTFSA-N 2 1 284.447 3.236 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246542771 804390299 /nfs/dbraw/zinc/39/02/99/804390299.db2.gz YEUDRLHTGXOQIG-XIRDDKMYSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246542771 804390306 /nfs/dbraw/zinc/39/03/06/804390306.db2.gz YEUDRLHTGXOQIG-XIRDDKMYSA-N 2 1 258.409 3.272 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246545293 804393454 /nfs/dbraw/zinc/39/34/54/804393454.db2.gz ATSGZOZVMXVIAK-UYSNPLJNSA-N 2 1 270.436 3.354 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC001246551230 804400153 /nfs/dbraw/zinc/40/01/53/804400153.db2.gz XNQRTXWXFDQULR-IMJJTQAJSA-N 2 1 258.409 3.136 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246553269 804402028 /nfs/dbraw/zinc/40/20/28/804402028.db2.gz XKKZFNRRZUMJHL-CABCVRRESA-N 2 1 258.425 3.498 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001246555252 804405012 /nfs/dbraw/zinc/40/50/12/804405012.db2.gz GBELVBVNISQAFM-XJKSGUPXSA-N 2 1 296.405 3.096 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C)C2)CC[NH2+]1 ZINC001246556522 804405647 /nfs/dbraw/zinc/40/56/47/804405647.db2.gz HMUFJASUKSFRKE-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246556809 804405858 /nfs/dbraw/zinc/40/58/58/804405858.db2.gz DQGRKNJFALQWOX-BCDXTJNWSA-N 2 1 272.436 3.428 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246558122 804406131 /nfs/dbraw/zinc/40/61/31/804406131.db2.gz OUDAWLXSNAOQLN-HOTGVXAUSA-N 2 1 296.405 3.314 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246557299 804406455 /nfs/dbraw/zinc/40/64/55/804406455.db2.gz KMCMWYUEUGITKO-FGTMMUONSA-N 2 1 290.426 3.476 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C)C2)CC[NH2+]1 ZINC001246556523 804406948 /nfs/dbraw/zinc/40/69/48/804406948.db2.gz HMUFJASUKSFRKE-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246558269 804407969 /nfs/dbraw/zinc/40/79/69/804407969.db2.gz OUDAWLXSNAOQLN-HZPDHXFCSA-N 2 1 296.405 3.314 20 0 CGADMP C[C@@H]1C[N@H+](C2CC(C)(C)OC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246559582 804408181 /nfs/dbraw/zinc/40/81/81/804408181.db2.gz DCXJNBIXWXJGMG-KGLIPLIRSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246561926 804409484 /nfs/dbraw/zinc/40/94/84/804409484.db2.gz HEHYAXYKTMCUIP-YUELXQCFSA-N 2 1 292.854 3.257 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246563368 804411251 /nfs/dbraw/zinc/41/12/51/804411251.db2.gz QGLJXPYFRCMCPY-RMHZUWNSSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[C@H]1C[NH3+] ZINC001246562741 804411825 /nfs/dbraw/zinc/41/18/25/804411825.db2.gz WISWZGJDBGTMPJ-XJFOESAGSA-N 2 1 292.389 3.414 20 0 CGADMP C[C@H]1CCCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246564020 804413071 /nfs/dbraw/zinc/41/30/71/804413071.db2.gz YNNNFLZDTXIPRF-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246574380 804421410 /nfs/dbraw/zinc/42/14/10/804421410.db2.gz XYTRBLHNWUFRPR-WCXIOVBPSA-N 2 1 276.399 3.084 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246574380 804421415 /nfs/dbraw/zinc/42/14/15/804421415.db2.gz XYTRBLHNWUFRPR-WCXIOVBPSA-N 2 1 276.399 3.084 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1C ZINC001246576927 804422236 /nfs/dbraw/zinc/42/22/36/804422236.db2.gz URBSZFYNHBJVQY-OAGGEKHMSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001246574873 804422826 /nfs/dbraw/zinc/42/28/26/804422826.db2.gz JJTYJEXUNKUYBJ-YJBOKZPZSA-N 2 1 290.426 3.134 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001246578374 804423811 /nfs/dbraw/zinc/42/38/11/804423811.db2.gz BKVOKKGHHCXCHR-IBGZPJMESA-N 2 1 286.463 3.385 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246580333 804425911 /nfs/dbraw/zinc/42/59/11/804425911.db2.gz DBAFZXHOBMZLOT-SOUVJXGZSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246580333 804425915 /nfs/dbraw/zinc/42/59/15/804425915.db2.gz DBAFZXHOBMZLOT-SOUVJXGZSA-N 2 1 258.425 3.497 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246583856 804427282 /nfs/dbraw/zinc/42/72/82/804427282.db2.gz SFZXFULSYJYJHU-UKRRQHHQSA-N 2 1 280.843 3.332 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)CC2)CC[NH2+]1 ZINC001246587246 804429448 /nfs/dbraw/zinc/42/94/48/804429448.db2.gz QBSJSGXIKNDENJ-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C[C@@H]1C ZINC001246588676 804431257 /nfs/dbraw/zinc/43/12/57/804431257.db2.gz CAWKGXWKOZLUDI-UGUYLWEFSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@]1(F)CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1F ZINC001246590000 804432410 /nfs/dbraw/zinc/43/24/10/804432410.db2.gz RFWIENFUYYBRBM-GJZGRUSLSA-N 2 1 286.410 3.071 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246591071 804433066 /nfs/dbraw/zinc/43/30/66/804433066.db2.gz LEUVVWBGIUMSBQ-QQFBHYJXSA-N 2 1 250.430 3.031 20 0 CGADMP CN1CCC([N@@H+](C)Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140433611 804433942 /nfs/dbraw/zinc/43/39/42/804433942.db2.gz JEPNCBNIDVIJMG-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246591912 804434043 /nfs/dbraw/zinc/43/40/43/804434043.db2.gz JTDJSRMIMQVWOU-ABHNRTSZSA-N 3 1 295.515 3.090 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@@](C)(CN)C2)CC1 ZINC001246591912 804434048 /nfs/dbraw/zinc/43/40/48/804434048.db2.gz JTDJSRMIMQVWOU-ABHNRTSZSA-N 2 1 295.515 3.090 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@](C)(CN)C2)CC1 ZINC001246591912 804434053 /nfs/dbraw/zinc/43/40/53/804434053.db2.gz JTDJSRMIMQVWOU-ABHNRTSZSA-N 2 1 295.515 3.090 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246595062 804435882 /nfs/dbraw/zinc/43/58/82/804435882.db2.gz XLCWKLBPCVKJPZ-RDBSUJKOSA-N 2 1 296.455 3.366 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC001246603122 804440342 /nfs/dbraw/zinc/44/03/42/804440342.db2.gz XNQRTXWXFDQULR-BPUTZDHNSA-N 2 1 258.409 3.136 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246608060 804442640 /nfs/dbraw/zinc/44/26/40/804442640.db2.gz VRAJMTUVJDRSFT-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609378 804443367 /nfs/dbraw/zinc/44/33/67/804443367.db2.gz MZZSPEGNJMNSLE-LJQANCHMSA-N 2 1 284.447 3.010 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001246611967 804446279 /nfs/dbraw/zinc/44/62/79/804446279.db2.gz VETQLMBNUBINPN-IEBWSBKVSA-N 2 1 286.463 3.392 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246615692 804450202 /nfs/dbraw/zinc/45/02/02/804450202.db2.gz FKJYZYNEEQHJQV-LJQANCHMSA-N 2 1 284.447 3.152 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)C1 ZINC001246623466 804455011 /nfs/dbraw/zinc/45/50/11/804455011.db2.gz TXNCGBLCRCESDW-ZBFHGGJFSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246623363 804455074 /nfs/dbraw/zinc/45/50/74/804455074.db2.gz QCMRGVCNHWWZSG-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC(CCCCC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246623248 804455777 /nfs/dbraw/zinc/45/57/77/804455777.db2.gz KCYQITZIWHSLEL-SFHVURJKSA-N 2 1 295.515 3.153 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246623706 804455864 /nfs/dbraw/zinc/45/58/64/804455864.db2.gz MNEVRPJYGBYHPQ-IAGOWNOFSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246623342 804456193 /nfs/dbraw/zinc/45/61/93/804456193.db2.gz SFPQBRBJTWTDLJ-JKSUJKDBSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246623342 804456197 /nfs/dbraw/zinc/45/61/97/804456197.db2.gz SFPQBRBJTWTDLJ-JKSUJKDBSA-N 2 1 250.430 3.339 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246624591 804456695 /nfs/dbraw/zinc/45/66/95/804456695.db2.gz VLXQYCOPOUWNNA-IAGOWNOFSA-N 2 1 282.472 3.190 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246624591 804456702 /nfs/dbraw/zinc/45/67/02/804456702.db2.gz VLXQYCOPOUWNNA-IAGOWNOFSA-N 2 1 282.472 3.190 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632259 804462045 /nfs/dbraw/zinc/46/20/45/804462045.db2.gz WHYVSIBUUPTICL-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246634677 804463755 /nfs/dbraw/zinc/46/37/55/804463755.db2.gz AOZUEHCJBNRLAL-BSDSXHPESA-N 2 1 270.420 3.149 20 0 CGADMP CC(C)CC[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246636230 804465579 /nfs/dbraw/zinc/46/55/79/804465579.db2.gz UITLHHCDFSZKIC-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246637531 804466216 /nfs/dbraw/zinc/46/62/16/804466216.db2.gz ZOUVJFJOPNIUIB-PFSRBDOWSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246642159 804469228 /nfs/dbraw/zinc/46/92/28/804469228.db2.gz ZOUVJFJOPNIUIB-NEXFUWMNSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C1 ZINC001246644674 804472484 /nfs/dbraw/zinc/47/24/84/804472484.db2.gz LEMIGWNLYWRFAW-KBMXLJTQSA-N 2 1 250.430 3.029 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2[C@H]1CCCC2(CCCCC2)C1 ZINC001246646987 804473262 /nfs/dbraw/zinc/47/32/62/804473262.db2.gz PSWICMWRBUDKHA-CKDBGZEDSA-N 2 1 262.441 3.303 20 0 CGADMP CC(C)C1CCC([N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246645797 804473461 /nfs/dbraw/zinc/47/34/61/804473461.db2.gz VGPBPKHYZBVGIV-JCYILVPMSA-N 2 1 264.457 3.419 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246647904 804474928 /nfs/dbraw/zinc/47/49/28/804474928.db2.gz VDLBMLLJVIPUPQ-HTHKGWQXSA-N 2 1 250.430 3.014 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246647904 804474934 /nfs/dbraw/zinc/47/49/34/804474934.db2.gz VDLBMLLJVIPUPQ-HTHKGWQXSA-N 2 1 250.430 3.014 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649405 804476509 /nfs/dbraw/zinc/47/65/09/804476509.db2.gz PEQCUTGBCVNDDV-CZUORRHYSA-N 2 1 278.827 3.099 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649405 804476511 /nfs/dbraw/zinc/47/65/11/804476511.db2.gz PEQCUTGBCVNDDV-CZUORRHYSA-N 2 1 278.827 3.099 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246649080 804477231 /nfs/dbraw/zinc/47/72/31/804477231.db2.gz OXXBWCFKQIGOMI-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)COCC[C@@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246650618 804478391 /nfs/dbraw/zinc/47/83/91/804478391.db2.gz AVRVURDGPAVTJH-SJLPKXTDSA-N 2 1 296.499 3.292 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246658455 804482521 /nfs/dbraw/zinc/48/25/21/804482521.db2.gz KPVLJOZDRGHUBT-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246658455 804482526 /nfs/dbraw/zinc/48/25/26/804482526.db2.gz KPVLJOZDRGHUBT-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246658478 804482643 /nfs/dbraw/zinc/48/26/43/804482643.db2.gz UIBSEVWXZBJVJD-QBPKDAKJSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246658478 804482647 /nfs/dbraw/zinc/48/26/47/804482647.db2.gz UIBSEVWXZBJVJD-QBPKDAKJSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246662757 804485096 /nfs/dbraw/zinc/48/50/96/804485096.db2.gz UQXLGTABLLFGAM-VGWMRTNUSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246662757 804485099 /nfs/dbraw/zinc/48/50/99/804485099.db2.gz UQXLGTABLLFGAM-VGWMRTNUSA-N 2 1 252.446 3.131 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246664652 804487088 /nfs/dbraw/zinc/48/70/88/804487088.db2.gz NWTFIOFBIQCBQN-ZJPYXAASSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001246668232 804488490 /nfs/dbraw/zinc/48/84/90/804488490.db2.gz XKUUOGBIXPGZDN-DJIMGWMZSA-N 2 1 290.838 3.011 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246667685 804488636 /nfs/dbraw/zinc/48/86/36/804488636.db2.gz UBSDMHUJPHYLTP-GMNCBBECSA-N 2 1 284.447 3.224 20 0 CGADMP c1ccc(C2CCC([N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC001246671746 804489482 /nfs/dbraw/zinc/48/94/82/804489482.db2.gz HQUHOAUHKGWPKZ-JYSRZZCRSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)C1 ZINC001246673927 804489793 /nfs/dbraw/zinc/48/97/93/804489793.db2.gz QPCFUFCIZHITIB-RSPOEFSDSA-N 2 1 298.474 3.428 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246676177 804491380 /nfs/dbraw/zinc/49/13/80/804491380.db2.gz AJMBSQRUYNDIHZ-TWMKSMIVSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+](CCC[NH3+])[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246678444 804492874 /nfs/dbraw/zinc/49/28/74/804492874.db2.gz FFEJFCODKSIOAV-GFCCVEGCSA-N 2 1 287.234 3.131 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246683131 804496233 /nfs/dbraw/zinc/49/62/33/804496233.db2.gz ZQXJCQAEFKHIPD-MSOLQXFVSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1 ZINC001246683450 804496348 /nfs/dbraw/zinc/49/63/48/804496348.db2.gz JYIIWNJTSCLITO-OWYHZJEWSA-N 2 1 284.447 3.254 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CC[NH2+]1 ZINC001246759501 804501533 /nfs/dbraw/zinc/50/15/33/804501533.db2.gz MGPPJFCBAIXPPR-HSFUPAIVSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)C[C@H](CC)[NH2+]1 ZINC001246756911 804501657 /nfs/dbraw/zinc/50/16/57/804501657.db2.gz AMERWRNYBORYNW-ZXXIGWHRSA-N 2 1 294.483 3.043 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246770707 804502183 /nfs/dbraw/zinc/50/21/83/804502183.db2.gz RKTKSICMDNQDHE-IAGOWNOFSA-N 2 1 260.425 3.203 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246774738 804503913 /nfs/dbraw/zinc/50/39/13/804503913.db2.gz GNVJQMACHGAXIJ-SJORKVTESA-N 2 1 260.425 3.429 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246773378 804504187 /nfs/dbraw/zinc/50/41/87/804504187.db2.gz BUQBEVJMTWUQOJ-GJZGRUSLSA-N 2 1 260.425 3.428 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246774274 804504465 /nfs/dbraw/zinc/50/44/65/804504465.db2.gz FPDFHHNVODUYRX-QZTJIDSGSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246773622 804504625 /nfs/dbraw/zinc/50/46/25/804504625.db2.gz BVVVPSIVUFGVFK-CGTJXYLNSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246778458 804506682 /nfs/dbraw/zinc/50/66/82/804506682.db2.gz ODQHLYDHBZVTGJ-QGZVFWFLSA-N 2 1 284.447 3.398 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246780417 804507478 /nfs/dbraw/zinc/50/74/78/804507478.db2.gz VNIQRLBQJGXXMA-OIISXLGYSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001246782240 804508542 /nfs/dbraw/zinc/50/85/42/804508542.db2.gz QXQXYQILXXTAKA-VXGBXAGGSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246782240 804508547 /nfs/dbraw/zinc/50/85/47/804508547.db2.gz QXQXYQILXXTAKA-VXGBXAGGSA-N 2 1 284.806 3.081 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246779944 804508681 /nfs/dbraw/zinc/50/86/81/804508681.db2.gz JPLOPUYHTKLCNO-LBTNJELSSA-N 2 1 288.435 3.361 20 0 CGADMP C[NH2+]Cc1cccc(N[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256921449 807011924 /nfs/dbraw/zinc/01/19/24/807011924.db2.gz ZXPOSYVEJZASKR-KRWDZBQOSA-N 2 1 287.451 3.225 20 0 CGADMP CC(C)[N@@H+](CC1CC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246792298 804516396 /nfs/dbraw/zinc/51/63/96/804516396.db2.gz UMYVTFHSYMQUIV-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246799746 804521627 /nfs/dbraw/zinc/52/16/27/804521627.db2.gz ATPNONWXJJUHDS-ZVZYQTTQSA-N 2 1 288.435 3.363 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC(c2ccccc2)C1 ZINC001140805202 804522648 /nfs/dbraw/zinc/52/26/48/804522648.db2.gz WKLTZTCBFUAWJF-UHFFFAOYSA-N 2 1 263.344 3.162 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC001246808786 804526906 /nfs/dbraw/zinc/52/69/06/804526906.db2.gz DEINGAZSNXWNBF-QVOMUQBLSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001246809770 804527171 /nfs/dbraw/zinc/52/71/71/804527171.db2.gz SNZLLJPYQXULCX-DGADGQDISA-N 2 1 252.446 3.401 20 0 CGADMP C[Si](C)(C)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246811488 804528842 /nfs/dbraw/zinc/52/88/42/804528842.db2.gz DYYGNJZXOBZAGS-UHFFFAOYSA-N 2 1 276.500 3.118 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001246812004 804528905 /nfs/dbraw/zinc/52/89/05/804528905.db2.gz BRUBYIZSLXSGDI-KRWDZBQOSA-N 2 1 272.436 3.144 20 0 CGADMP C[NH2+][C@@H]1CC[N@@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246814746 804530699 /nfs/dbraw/zinc/53/06/99/804530699.db2.gz SXAQMDMBXPWWJP-LXPRWKDFSA-N 2 1 272.436 3.082 20 0 CGADMP C[NH2+][C@@H]1CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246814746 804530703 /nfs/dbraw/zinc/53/07/03/804530703.db2.gz SXAQMDMBXPWWJP-LXPRWKDFSA-N 2 1 272.436 3.082 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH2+]CC2)cc1 ZINC001246820026 804535475 /nfs/dbraw/zinc/53/54/75/804535475.db2.gz DUMOKPCMQPCHKU-FUHWJXTLSA-N 2 1 288.435 3.364 20 0 CGADMP Fc1cccc2c1C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246824739 804537480 /nfs/dbraw/zinc/53/74/80/804537480.db2.gz RHXQMHILXPMWIO-UHFFFAOYSA-N 2 1 288.410 3.454 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246827644 804538954 /nfs/dbraw/zinc/53/89/54/804538954.db2.gz QCJMVGFNBQNAFD-ROUUACIJSA-N 2 1 288.410 3.106 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC001246827207 804539338 /nfs/dbraw/zinc/53/93/38/804539338.db2.gz ZURKITPQHGIAKU-GRAKBVBRSA-N 2 1 250.430 3.172 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC001246827207 804539342 /nfs/dbraw/zinc/53/93/42/804539342.db2.gz ZURKITPQHGIAKU-GRAKBVBRSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246838570 804545829 /nfs/dbraw/zinc/54/58/29/804545829.db2.gz CYRKNAKGBJVHJU-IUODEOHRSA-N 2 1 266.816 3.302 20 0 CGADMP CCC(CC)[N@@H+](CC)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246839960 804548085 /nfs/dbraw/zinc/54/80/85/804548085.db2.gz MFBDMCZBUSDMCN-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246838865 804548429 /nfs/dbraw/zinc/54/84/29/804548429.db2.gz JITUDYPLIPMQCE-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246843525 804551640 /nfs/dbraw/zinc/55/16/40/804551640.db2.gz DEXNJFRPVBIDDJ-ZSHCYNCHSA-N 2 1 276.399 3.321 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246843525 804551643 /nfs/dbraw/zinc/55/16/43/804551643.db2.gz DEXNJFRPVBIDDJ-ZSHCYNCHSA-N 2 1 276.399 3.321 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246843027 804552041 /nfs/dbraw/zinc/55/20/41/804552041.db2.gz ASSDUKDEOZGTTN-MRXNPFEDSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246846552 804555782 /nfs/dbraw/zinc/55/57/82/804555782.db2.gz HOIZPDPBQHULLU-LVQVYYBASA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246847230 804556542 /nfs/dbraw/zinc/55/65/42/804556542.db2.gz RGWJRJGBAJYZEU-YHUYYLMFSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246847729 804558295 /nfs/dbraw/zinc/55/82/95/804558295.db2.gz MADPSBIVKLIBOF-IAGOWNOFSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850233 804560123 /nfs/dbraw/zinc/56/01/23/804560123.db2.gz INUPMCRATMKHEO-DUVNUKRYSA-N 2 1 278.827 3.270 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001246852259 804562296 /nfs/dbraw/zinc/56/22/96/804562296.db2.gz IFNVEOQIBVTCFL-JEVOJNTISA-N 2 1 284.447 3.211 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CC=C(c3ccccc3)CC2)CC[NH2+]1 ZINC001246862045 804565341 /nfs/dbraw/zinc/56/53/41/804565341.db2.gz VBKCOXVCDAHMOM-QZTJIDSGSA-N 2 1 270.420 3.306 20 0 CGADMP C[N@@H+](CCC1CC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246859126 804565902 /nfs/dbraw/zinc/56/59/02/804565902.db2.gz ARKMXJNYVMNSLS-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246864363 804568020 /nfs/dbraw/zinc/56/80/20/804568020.db2.gz UVVYFWAQYZICAC-INTUILBWSA-N 2 1 264.457 3.405 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2CCC(n3ccc4ccccc43)CC2)C[NH2+]1 ZINC001246867372 804568786 /nfs/dbraw/zinc/56/87/86/804568786.db2.gz IMPLGPMNHLKUDZ-MAUKXSAKSA-N 2 1 297.446 3.419 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246865448 804568802 /nfs/dbraw/zinc/56/88/02/804568802.db2.gz ZXNUVFDSTQRIES-MFQJDOPTSA-N 2 1 250.430 3.014 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867018 804569844 /nfs/dbraw/zinc/56/98/44/804569844.db2.gz MMKBJWLAKNSIGP-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246866273 804570135 /nfs/dbraw/zinc/57/01/35/804570135.db2.gz BYGYZHKCUKYYSC-MNNVXMFVSA-N 2 1 284.447 3.356 20 0 CGADMP CC[N@@H+](Cc1c(F)cccc1Cl)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246876154 804574600 /nfs/dbraw/zinc/57/46/00/804574600.db2.gz AWJKWSWFTIEKDX-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246877764 804576474 /nfs/dbraw/zinc/57/64/74/804576474.db2.gz GHKSUWGPPJWVME-SJLPKXTDSA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+](Cc2ccco2)C2CC2)CC[NH2+]1 ZINC001246879705 804576925 /nfs/dbraw/zinc/57/69/25/804576925.db2.gz CJEDYBGTJKBNDP-ZBFHGGJFSA-N 2 1 276.424 3.411 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+](Cc2ccco2)C2CC2)CC[NH2+]1 ZINC001246879705 804576928 /nfs/dbraw/zinc/57/69/28/804576928.db2.gz CJEDYBGTJKBNDP-ZBFHGGJFSA-N 2 1 276.424 3.411 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246878258 804577046 /nfs/dbraw/zinc/57/70/46/804577046.db2.gz KBJDSVSBUDIZSB-QRVBRYPASA-N 2 1 286.463 3.284 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246895426 804584621 /nfs/dbraw/zinc/58/46/21/804584621.db2.gz SNPIEFQOTOPLQU-YESZJQIVSA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CC[NH2+]1 ZINC001246895189 804585523 /nfs/dbraw/zinc/58/55/23/804585523.db2.gz WKTYUPAJLLKABI-SJORKVTESA-N 2 1 274.452 3.470 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246913464 804596593 /nfs/dbraw/zinc/59/65/93/804596593.db2.gz XHTGFXOJHUDTCP-XPKDYRNWSA-N 2 1 294.439 3.133 20 0 CGADMP CSCC[C@@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924579 804604166 /nfs/dbraw/zinc/60/41/66/804604166.db2.gz NAGUPGRPFJNLGX-NVXWUHKLSA-N 2 1 292.492 3.382 20 0 CGADMP CSCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924579 804604169 /nfs/dbraw/zinc/60/41/69/804604169.db2.gz NAGUPGRPFJNLGX-NVXWUHKLSA-N 2 1 292.492 3.382 20 0 CGADMP CCC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246935614 804608816 /nfs/dbraw/zinc/60/88/16/804608816.db2.gz GPHMWAJSLBZXRL-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CSCC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246939783 804610937 /nfs/dbraw/zinc/61/09/37/804610937.db2.gz VHAQLFTYIMFMSJ-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C2C[C@@H]3C=C[C@H](C2)[NH2+]3)c1 ZINC001246941788 804612981 /nfs/dbraw/zinc/61/29/81/804612981.db2.gz BWTKIFLAAIFHFP-SWDXFRIISA-N 2 1 282.431 3.499 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945912 804614021 /nfs/dbraw/zinc/61/40/21/804614021.db2.gz MKZSXQGZQPNQTB-OKZBNKHCSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945912 804614025 /nfs/dbraw/zinc/61/40/25/804614025.db2.gz MKZSXQGZQPNQTB-OKZBNKHCSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246967212 804620703 /nfs/dbraw/zinc/62/07/03/804620703.db2.gz MGDDEHAZWGNPRE-UHFFFAOYSA-N 2 1 284.447 3.275 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001246972113 804622809 /nfs/dbraw/zinc/62/28/09/804622809.db2.gz CRENUZNKSUEFAS-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246973375 804624477 /nfs/dbraw/zinc/62/44/77/804624477.db2.gz GZQPKWFGUKDYEA-VGWMRTNUSA-N 2 1 252.446 3.405 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2c(C)cccc2C1 ZINC001246978528 804625485 /nfs/dbraw/zinc/62/54/85/804625485.db2.gz VWLYNSANCTYXEB-AEFFLSMTSA-N 2 1 286.463 3.174 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001246989799 804630439 /nfs/dbraw/zinc/63/04/39/804630439.db2.gz HOJSWRCMMORRCM-DYVFJYSZSA-N 2 1 292.854 3.129 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001246988505 804630836 /nfs/dbraw/zinc/63/08/36/804630836.db2.gz HQMHITUNIMTEMF-LLVKDONJSA-N 2 1 290.329 3.015 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246991404 804631540 /nfs/dbraw/zinc/63/15/40/804631540.db2.gz XCMWQZSRYWPNGC-SJORKVTESA-N 2 1 297.531 3.063 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246991404 804631543 /nfs/dbraw/zinc/63/15/43/804631543.db2.gz XCMWQZSRYWPNGC-SJORKVTESA-N 2 1 297.531 3.063 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001247002673 804635467 /nfs/dbraw/zinc/63/54/67/804635467.db2.gz NYOUAEUOZYLLEY-WMLDXEAASA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247002702 804635821 /nfs/dbraw/zinc/63/58/21/804635821.db2.gz OCQSDJXHGRYZRO-BLLLJJGKSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247002702 804635822 /nfs/dbraw/zinc/63/58/22/804635822.db2.gz OCQSDJXHGRYZRO-BLLLJJGKSA-N 2 1 298.833 3.471 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)[C@H](C)c1cccc(Br)c1 ZINC001247004677 804636078 /nfs/dbraw/zinc/63/60/78/804636078.db2.gz SQGXCDGFJMFEKJ-VXGBXAGGSA-N 2 1 299.256 3.440 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247015213 804643466 /nfs/dbraw/zinc/64/34/66/804643466.db2.gz NKAXISPYISSLII-SNRMKQJTSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015802 804643487 /nfs/dbraw/zinc/64/34/87/804643487.db2.gz PVEHNAXZANHBCN-UKPHBRMFSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015802 804643490 /nfs/dbraw/zinc/64/34/90/804643490.db2.gz PVEHNAXZANHBCN-UKPHBRMFSA-N 2 1 292.854 3.345 20 0 CGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc(C)c1F ZINC001143381482 804844404 /nfs/dbraw/zinc/84/44/04/804844404.db2.gz CSWAFCYKZNXBOD-UHFFFAOYSA-N 2 1 290.426 3.360 20 0 CGADMP CC(C)C[N@H+](C1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257086026 807048287 /nfs/dbraw/zinc/04/82/87/807048287.db2.gz WOISSRLGNDPSRJ-VGWMRTNUSA-N 2 1 282.472 3.170 20 0 CGADMP C[C@@H]1CC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001257093276 807050000 /nfs/dbraw/zinc/05/00/00/807050000.db2.gz JFWFEMZKEMYWMK-ZACQAIPSSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cccc(C2CC2)[nH+]1 ZINC001155028605 805526639 /nfs/dbraw/zinc/52/66/39/805526639.db2.gz DGRLGTUBYHEPHR-OCCSQVGLSA-N 2 1 259.397 3.007 20 0 CGADMP CC(C)(C)c1ccc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]c1 ZINC001155123774 805542397 /nfs/dbraw/zinc/54/23/97/805542397.db2.gz IMDCDEYMVFLHJZ-INIZCTEOSA-N 2 1 279.403 3.273 20 0 CGADMP C[N@@H+](CCc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855744 806992207 /nfs/dbraw/zinc/99/22/07/806992207.db2.gz UVPFPWNDMRUCAJ-UHFFFAOYSA-N 2 1 295.430 3.225 20 0 CGADMP CCCCC[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855726 806992479 /nfs/dbraw/zinc/99/24/79/806992479.db2.gz UBSCBNRDAJJMJP-UHFFFAOYSA-N 2 1 261.413 3.172 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855612 806992808 /nfs/dbraw/zinc/99/28/08/806992808.db2.gz QXYJYIIVTSHAFA-GASCZTMLSA-N 2 1 273.424 3.313 20 0 CGADMP CC(C)[NH+]1CCC(CNc2cc(OC(F)F)cc[nH+]2)CC1 ZINC001166635305 807074231 /nfs/dbraw/zinc/07/42/31/807074231.db2.gz BLEWHLIKMWABQP-UHFFFAOYSA-N 2 1 299.365 3.215 20 0 CGADMP CCC(CC)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001257295699 807090202 /nfs/dbraw/zinc/09/02/02/807090202.db2.gz CZYITBRCMJYFBY-KBPBESRZSA-N 2 1 278.465 3.300 20 0 CGADMP CCC[C@@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257313586 807101980 /nfs/dbraw/zinc/10/19/80/807101980.db2.gz OGADIPUVLZEDOV-BFYDXBDKSA-N 2 1 275.440 3.342 20 0 CGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC001257345674 807116009 /nfs/dbraw/zinc/11/60/09/807116009.db2.gz GMSMRFWTDOOMOG-INIZCTEOSA-N 2 1 250.430 3.173 20 0 CGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC001257345674 807116011 /nfs/dbraw/zinc/11/60/11/807116011.db2.gz GMSMRFWTDOOMOG-INIZCTEOSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)OC1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001257870432 807231670 /nfs/dbraw/zinc/23/16/70/807231670.db2.gz NMWHYNQDFIQUIP-GTPINHCMSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2[nH]c[nH+]c2c1 ZINC001167753066 807241490 /nfs/dbraw/zinc/24/14/90/807241490.db2.gz BPSWAXISZHKFAC-CYBMUJFWSA-N 2 1 272.396 3.239 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2[nH]c[nH+]c2c1 ZINC001167753066 807241491 /nfs/dbraw/zinc/24/14/91/807241491.db2.gz BPSWAXISZHKFAC-CYBMUJFWSA-N 2 1 272.396 3.239 20 0 CGADMP C[C@H]([NH3+])c1ccc(NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001167754120 807243632 /nfs/dbraw/zinc/24/36/32/807243632.db2.gz VKMAXBUJXFXTOV-GJZGRUSLSA-N 2 1 275.440 3.383 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2cnc(C)cc2C1 ZINC001167833446 807256950 /nfs/dbraw/zinc/25/69/50/807256950.db2.gz BFIIPMLUSSASNG-HNNXBMFYSA-N 2 1 275.440 3.216 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001167837786 807259219 /nfs/dbraw/zinc/25/92/19/807259219.db2.gz MTAJFSQYKCMDKO-KFWWJZLASA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[NH+]1CCC([NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC001258010451 807263967 /nfs/dbraw/zinc/26/39/67/807263967.db2.gz ASDFKZFKNKUWOR-UHFFFAOYSA-N 2 1 292.389 3.381 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC001258008701 807264072 /nfs/dbraw/zinc/26/40/72/807264072.db2.gz DYYNPLHYQQXKPZ-UHFFFAOYSA-N 2 1 297.446 3.445 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)CCc2cccs2)CC1 ZINC001258014388 807266112 /nfs/dbraw/zinc/26/61/12/807266112.db2.gz IKHGAXPCNTVWNZ-UHFFFAOYSA-N 2 1 280.481 3.343 20 0 CGADMP Cc1cc(NC(=[NH2+])SCC[NH3+])c(OC(C)C)cc1C ZINC001167916895 807274067 /nfs/dbraw/zinc/27/40/67/807274067.db2.gz ZJPUASUMRJMGRI-UHFFFAOYSA-N 2 1 281.425 3.129 20 0 CGADMP CC(C)(C)C(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962298 807287941 /nfs/dbraw/zinc/28/79/41/807287941.db2.gz WHMBFSXFDFGINJ-AGUYFDCRSA-N 2 1 263.429 3.005 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1C[C@@H]3CCC[C@H]3C1)C2 ZINC001167983302 807290984 /nfs/dbraw/zinc/29/09/84/807290984.db2.gz FIBWRARZLURHFP-SZNINPNASA-N 2 1 274.452 3.124 20 0 CGADMP CC1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167983839 807291297 /nfs/dbraw/zinc/29/12/97/807291297.db2.gz JMHDGYASOMCBDO-XYPWUTKMSA-N 2 1 280.431 3.216 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258074742 807292787 /nfs/dbraw/zinc/29/27/87/807292787.db2.gz NAEDFDWUKWFTEU-YLFCFFPRSA-N 2 1 266.473 3.331 20 0 CGADMP CCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006967 807298897 /nfs/dbraw/zinc/29/88/97/807298897.db2.gz PZZJLVZDAXTXJM-ALXJQNPVSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C[C@@H](C)C1 ZINC001258153672 807323154 /nfs/dbraw/zinc/32/31/54/807323154.db2.gz MPZYTVCPZCLRKC-OTJKEOIZSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC001258159528 807327965 /nfs/dbraw/zinc/32/79/65/807327965.db2.gz ZCJUCOVGDDXDLU-BOFKIOBHSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC001258159528 807327972 /nfs/dbraw/zinc/32/79/72/807327972.db2.gz ZCJUCOVGDDXDLU-BOFKIOBHSA-N 2 1 264.457 3.416 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001258166925 807333541 /nfs/dbraw/zinc/33/35/41/807333541.db2.gz CPFLIDSTYYYLNJ-ZIAGYGMSSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001258166925 807333548 /nfs/dbraw/zinc/33/35/48/807333548.db2.gz CPFLIDSTYYYLNJ-ZIAGYGMSSA-N 2 1 252.446 3.227 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3C[C@H](C)C[C@@H](C)C3)C[C@@H]2C1 ZINC001258171268 807337726 /nfs/dbraw/zinc/33/77/26/807337726.db2.gz PRKMRBYIDDJSNZ-FPCVCCKLSA-N 2 1 264.457 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](C3C[C@H](C)C[C@@H](C)C3)C[C@@H]2C1 ZINC001258171268 807337736 /nfs/dbraw/zinc/33/77/36/807337736.db2.gz PRKMRBYIDDJSNZ-FPCVCCKLSA-N 2 1 264.457 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3C[C@H](C)C[C@@H](C)C3)C[C@@H]2C1 ZINC001258171268 807337744 /nfs/dbraw/zinc/33/77/44/807337744.db2.gz PRKMRBYIDDJSNZ-FPCVCCKLSA-N 2 1 264.457 3.085 20 0 CGADMP CSCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001258219840 807371365 /nfs/dbraw/zinc/37/13/65/807371365.db2.gz LIYQNPPVFWZKTF-CQSZACIVSA-N 2 1 272.502 3.180 20 0 CGADMP CSCC[C@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001258228318 807377557 /nfs/dbraw/zinc/37/75/57/807377557.db2.gz JGRCXZKJYOOKKA-AWEZNQCLSA-N 2 1 293.480 3.090 20 0 CGADMP CSCC[C@@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001258228320 807377744 /nfs/dbraw/zinc/37/77/44/807377744.db2.gz JGRCXZKJYOOKKA-CQSZACIVSA-N 2 1 293.480 3.090 20 0 CGADMP C[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]1C ZINC001168315535 807380035 /nfs/dbraw/zinc/38/00/35/807380035.db2.gz YBOAQXYBYKAEMR-QRNKSROTSA-N 2 1 252.446 3.227 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2Cc3cccc(F)c3C2)CC1 ZINC001168323782 807383086 /nfs/dbraw/zinc/38/30/86/807383086.db2.gz CKHOZOJPZYJFFA-UHFFFAOYSA-N 2 1 262.372 3.014 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001168324187 807384333 /nfs/dbraw/zinc/38/43/33/807384333.db2.gz JCVXVQFBABRFCK-PRLABOORSA-N 2 1 250.430 3.124 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168368139 807395430 /nfs/dbraw/zinc/39/54/30/807395430.db2.gz AUYZARVANRIEBH-IBGZPJMESA-N 2 1 299.462 3.305 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293695 807401855 /nfs/dbraw/zinc/40/18/55/807401855.db2.gz POQLLBYAJDWLGH-XHSDSOJGSA-N 2 1 264.457 3.229 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293695 807401858 /nfs/dbraw/zinc/40/18/58/807401858.db2.gz POQLLBYAJDWLGH-XHSDSOJGSA-N 2 1 264.457 3.229 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293695 807401860 /nfs/dbraw/zinc/40/18/60/807401860.db2.gz POQLLBYAJDWLGH-XHSDSOJGSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001168467473 807426120 /nfs/dbraw/zinc/42/61/20/807426120.db2.gz JYVJUHVMRCRCKL-NKGKWGDASA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001168467473 807426125 /nfs/dbraw/zinc/42/61/25/807426125.db2.gz JYVJUHVMRCRCKL-NKGKWGDASA-N 2 1 290.426 3.362 20 0 CGADMP [NH3+]CC[C@H]1CN(c2ccc3[nH]c[nH+]c3c2)c2ccccc21 ZINC001168548349 807443573 /nfs/dbraw/zinc/44/35/73/807443573.db2.gz LRMUVHRRAAQCQL-LBPRGKRZSA-N 2 1 278.359 3.147 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258457236 807463089 /nfs/dbraw/zinc/46/30/89/807463089.db2.gz ULPPBAPDKXBLBX-WBAXXEDZSA-N 2 1 287.451 3.342 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H](C)CC2CC2)CC1 ZINC001258462762 807465919 /nfs/dbraw/zinc/46/59/19/807465919.db2.gz KLXGOJAKRGASKY-CQSZACIVSA-N 2 1 252.446 3.227 20 0 CGADMP CC[C@H](C)C[C@H](C)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168692462 807483572 /nfs/dbraw/zinc/48/35/72/807483572.db2.gz YQRLCWLAYFVMOW-STQMWFEESA-N 2 1 286.423 3.258 20 0 CGADMP CC1(C)CC[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001258598441 807498507 /nfs/dbraw/zinc/49/85/07/807498507.db2.gz SLCDDYWSDJNPSE-BFYDXBDKSA-N 2 1 294.483 3.316 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2cccnc2)CC1 ZINC001258627118 807515521 /nfs/dbraw/zinc/51/55/21/807515521.db2.gz IEBKCCROGSSTRU-INIZCTEOSA-N 2 1 289.467 3.065 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC001258649538 807522047 /nfs/dbraw/zinc/52/20/47/807522047.db2.gz JZPIEDHVWWXFTG-QGZVFWFLSA-N 2 1 271.408 3.193 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258704936 807560058 /nfs/dbraw/zinc/56/00/58/807560058.db2.gz VAGRFBVHGCRHMI-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1N1CCCC1)C2 ZINC001169093147 807573743 /nfs/dbraw/zinc/57/37/43/807573743.db2.gz FVDPTSWLHZGVCH-BCDXTJNWSA-N 2 1 299.462 3.002 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1ccc(F)cc1)C2 ZINC001169094461 807574270 /nfs/dbraw/zinc/57/42/70/807574270.db2.gz LQMJVBIVTZXHIA-OSYLJGHBSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001169100963 807575880 /nfs/dbraw/zinc/57/58/80/807575880.db2.gz NCBAASGWWMRHKP-LSPIHWNJSA-N 2 1 270.420 3.450 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC001169099634 807576157 /nfs/dbraw/zinc/57/61/57/807576157.db2.gz CZQPWEGILSUYHN-BQJWPVKWSA-N 2 1 290.838 3.411 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1F ZINC001169108263 807578515 /nfs/dbraw/zinc/57/85/15/807578515.db2.gz PWYSQZWCADOTCO-DMRZNYOFSA-N 2 1 276.399 3.410 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(C)CCC(F)(F)CC1)C2 ZINC001169114997 807581180 /nfs/dbraw/zinc/58/11/80/807581180.db2.gz GEYPCLJHEHVGQX-XYYAHUGASA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C2 ZINC001169118227 807583914 /nfs/dbraw/zinc/58/39/14/807583914.db2.gz FPRXMFVAPGLUHH-ZSBIGDGJSA-N 2 1 278.362 3.180 20 0 CGADMP CNc1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c[nH+]1 ZINC001169145349 807592124 /nfs/dbraw/zinc/59/21/24/807592124.db2.gz OVIMZMCAQMNMCU-CJNGLKHVSA-N 2 1 276.428 3.079 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258752047 807593874 /nfs/dbraw/zinc/59/38/74/807593874.db2.gz ZQYMDPFYTOCZOY-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258752047 807593881 /nfs/dbraw/zinc/59/38/81/807593881.db2.gz ZQYMDPFYTOCZOY-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258752047 807593884 /nfs/dbraw/zinc/59/38/84/807593884.db2.gz ZQYMDPFYTOCZOY-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258752047 807593889 /nfs/dbraw/zinc/59/38/89/807593889.db2.gz ZQYMDPFYTOCZOY-RHSMWYFYSA-N 2 1 292.854 3.299 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153940 807595883 /nfs/dbraw/zinc/59/58/83/807595883.db2.gz MQXUJQQYUGSTND-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153940 807595887 /nfs/dbraw/zinc/59/58/87/807595887.db2.gz MQXUJQQYUGSTND-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153940 807595888 /nfs/dbraw/zinc/59/58/88/807595888.db2.gz MQXUJQQYUGSTND-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CC1)C2 ZINC001169155261 807596461 /nfs/dbraw/zinc/59/64/61/807596461.db2.gz LUFSRFRYXMOKCX-PIIMJCKOSA-N 2 1 270.420 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CC1)C2 ZINC001169155261 807596466 /nfs/dbraw/zinc/59/64/66/807596466.db2.gz LUFSRFRYXMOKCX-PIIMJCKOSA-N 2 1 270.420 3.276 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)C1CC1)C2 ZINC001169155261 807596469 /nfs/dbraw/zinc/59/64/69/807596469.db2.gz LUFSRFRYXMOKCX-PIIMJCKOSA-N 2 1 270.420 3.276 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)C1CC1)C2 ZINC001169155261 807596475 /nfs/dbraw/zinc/59/64/75/807596475.db2.gz LUFSRFRYXMOKCX-PIIMJCKOSA-N 2 1 270.420 3.276 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1CCO[C@H](CN2CCCC2)C1 ZINC001258764228 807600662 /nfs/dbraw/zinc/60/06/62/807600662.db2.gz MLCLXHHEYNXGCY-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCO[C@H](CN2CCCC2)C1 ZINC001258764228 807600666 /nfs/dbraw/zinc/60/06/66/807600666.db2.gz MLCLXHHEYNXGCY-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](CC)c2ncccc2C)CC1 ZINC001258764756 807601080 /nfs/dbraw/zinc/60/10/80/807601080.db2.gz CBZFFITVYQBAMF-MRXNPFEDSA-N 2 1 275.440 3.305 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258767857 807603012 /nfs/dbraw/zinc/60/30/12/807603012.db2.gz YFXBXVNHABYDIR-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC001258771496 807605536 /nfs/dbraw/zinc/60/55/36/807605536.db2.gz FSXSLFNWPHJDSI-HNNXBMFYSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258781720 807608649 /nfs/dbraw/zinc/60/86/49/807608649.db2.gz ZPTLNVYEQNHELJ-NPJQDHAYSA-N 2 1 252.446 3.416 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC001169255962 807616456 /nfs/dbraw/zinc/61/64/56/807616456.db2.gz WOSUVNRXJFOCBX-UHFFFAOYSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC001169255962 807616460 /nfs/dbraw/zinc/61/64/60/807616460.db2.gz WOSUVNRXJFOCBX-UHFFFAOYSA-N 2 1 260.425 3.383 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258800210 807621586 /nfs/dbraw/zinc/62/15/86/807621586.db2.gz MFMOTYWUTWRABT-HUUCEWRRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001258816254 807633283 /nfs/dbraw/zinc/63/32/83/807633283.db2.gz ANLYPNAPKSSXHW-OWCLPIDISA-N 2 1 252.446 3.406 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258850887 807659456 /nfs/dbraw/zinc/65/94/56/807659456.db2.gz FDJGACCAJSEZRE-KRWDZBQOSA-N 2 1 272.436 3.178 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC001258880374 807662088 /nfs/dbraw/zinc/66/20/88/807662088.db2.gz ROCMDVMBQRXWKU-INIZCTEOSA-N 2 1 292.467 3.338 20 0 CGADMP CCC[NH+](CCC)CC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258897631 807667537 /nfs/dbraw/zinc/66/75/37/807667537.db2.gz ALHQVVRSAGUZOK-KRWDZBQOSA-N 3 1 285.520 3.209 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC001258907644 807672620 /nfs/dbraw/zinc/67/26/20/807672620.db2.gz LSBFDMRIHCJBGA-HUUCEWRRSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC001258907962 807672629 /nfs/dbraw/zinc/67/26/29/807672629.db2.gz PENIULJYZUVNFL-MRXNPFEDSA-N 2 1 277.456 3.066 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC001170160982 807782877 /nfs/dbraw/zinc/78/28/77/807782877.db2.gz LDVAYXNFXUIUAK-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170196126 807792684 /nfs/dbraw/zinc/79/26/84/807792684.db2.gz RXAMVFAYKIPCPP-LEUOFYLZSA-N 2 1 294.483 3.459 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001170255769 807805633 /nfs/dbraw/zinc/80/56/33/807805633.db2.gz YFRHMARCEJZSIJ-LRVUVFPRSA-N 2 1 280.843 3.473 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC001262481524 807867162 /nfs/dbraw/zinc/86/71/62/807867162.db2.gz VUYYEUCLILHANI-KBPBESRZSA-N 2 1 282.815 3.008 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171098077 807982525 /nfs/dbraw/zinc/98/25/25/807982525.db2.gz BPWOWELNZAPZDI-DLBZAZTESA-N 2 1 292.854 3.271 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171393560 808043976 /nfs/dbraw/zinc/04/39/76/808043976.db2.gz DTMWRZZQQIWLNC-INIZCTEOSA-N 2 1 292.442 3.395 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171393560 808043984 /nfs/dbraw/zinc/04/39/84/808043984.db2.gz DTMWRZZQQIWLNC-INIZCTEOSA-N 2 1 292.442 3.395 20 0 CGADMP Cc1cncc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171614339 808105558 /nfs/dbraw/zinc/10/55/58/808105558.db2.gz YAWSNKQCUZYUNZ-UHFFFAOYSA-N 2 1 275.440 3.131 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](CF)C2)CC1(C)C ZINC001171639779 808111016 /nfs/dbraw/zinc/11/10/16/808111016.db2.gz SUXIUBMILZKYBG-CYBMUJFWSA-N 2 1 270.436 3.319 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171774773 808135961 /nfs/dbraw/zinc/13/59/61/808135961.db2.gz DRIMTUKGTXNBDP-GDBMZVCRSA-N 2 1 290.426 3.147 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(F)c1F)C2 ZINC001172103137 808174249 /nfs/dbraw/zinc/17/42/49/808174249.db2.gz SKWCPNVAYSKEOH-BTTYYORXSA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(F)c1F)C2 ZINC001172103137 808174250 /nfs/dbraw/zinc/17/42/50/808174250.db2.gz SKWCPNVAYSKEOH-BTTYYORXSA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)C2 ZINC001172108087 808176617 /nfs/dbraw/zinc/17/66/17/808176617.db2.gz PBSVTWWWBGAPCX-CLLJXQQHSA-N 2 1 272.383 3.027 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1cccnc1)C2 ZINC001172112032 808178602 /nfs/dbraw/zinc/17/86/02/808178602.db2.gz ZMYXMUWQNYIGMK-OSYLJGHBSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1cccnc1)C2 ZINC001172112032 808178608 /nfs/dbraw/zinc/17/86/08/808178608.db2.gz ZMYXMUWQNYIGMK-OSYLJGHBSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3cnccc31)C2 ZINC001172110518 808179083 /nfs/dbraw/zinc/17/90/83/808179083.db2.gz OARBBTGSMLXFCI-DFGXFYAUSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3cnccc31)C2 ZINC001172110518 808179085 /nfs/dbraw/zinc/17/90/85/808179085.db2.gz OARBBTGSMLXFCI-DFGXFYAUSA-N 2 1 285.435 3.064 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172109390 808179187 /nfs/dbraw/zinc/17/91/87/808179187.db2.gz CYUYVZCSSJQMJB-XMTFNYHQSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172109390 808179190 /nfs/dbraw/zinc/17/91/90/808179190.db2.gz CYUYVZCSSJQMJB-XMTFNYHQSA-N 2 1 287.451 3.384 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001172115761 808180547 /nfs/dbraw/zinc/18/05/47/808180547.db2.gz AAHVLIZECFJKBA-OVYGPGRDSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001172115761 808180552 /nfs/dbraw/zinc/18/05/52/808180552.db2.gz AAHVLIZECFJKBA-OVYGPGRDSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001172115761 808180557 /nfs/dbraw/zinc/18/05/57/808180557.db2.gz AAHVLIZECFJKBA-OVYGPGRDSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172115761 808180559 /nfs/dbraw/zinc/18/05/59/808180559.db2.gz AAHVLIZECFJKBA-OVYGPGRDSA-N 2 1 264.457 3.370 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(F)cc1F)C2 ZINC001172118538 808180741 /nfs/dbraw/zinc/18/07/41/808180741.db2.gz RLUPTXMROCCSMK-MUJYYYPQSA-N 2 1 294.389 3.112 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC13CCCCC3)C2 ZINC001172117549 808181214 /nfs/dbraw/zinc/18/12/14/808181214.db2.gz MGNLMIRHDJPDEA-FZKCQIBNSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC13CCCCC3)C2 ZINC001172117549 808181217 /nfs/dbraw/zinc/18/12/17/808181217.db2.gz MGNLMIRHDJPDEA-FZKCQIBNSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](C)(F)CC1)C2 ZINC001172120043 808184122 /nfs/dbraw/zinc/18/41/22/808184122.db2.gz JFAPLZIKYYEMNJ-FXUDXRNXSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](C)(F)CC1)C2 ZINC001172120043 808184125 /nfs/dbraw/zinc/18/41/25/808184125.db2.gz JFAPLZIKYYEMNJ-FXUDXRNXSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@](C)(F)CC1)C2 ZINC001172120043 808184131 /nfs/dbraw/zinc/18/41/31/808184131.db2.gz JFAPLZIKYYEMNJ-FXUDXRNXSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@](C)(F)CC1)C2 ZINC001172120043 808184137 /nfs/dbraw/zinc/18/41/37/808184137.db2.gz JFAPLZIKYYEMNJ-FXUDXRNXSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCCC3)C1)C2 ZINC001172124256 808186050 /nfs/dbraw/zinc/18/60/50/808186050.db2.gz JXWPKKJKCIQCDU-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC3(CCCC3)C1)C2 ZINC001172124256 808186053 /nfs/dbraw/zinc/18/60/53/808186053.db2.gz JXWPKKJKCIQCDU-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC3(CCCC3)C1)C2 ZINC001172124256 808186057 /nfs/dbraw/zinc/18/60/57/808186057.db2.gz JXWPKKJKCIQCDU-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[N@H+](Cc1nc2ccccc2o1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127922 808186277 /nfs/dbraw/zinc/18/62/77/808186277.db2.gz LSRDQWVFIJJJKN-FICVDOATSA-N 2 1 299.418 3.275 20 0 CGADMP C[N@@H+](Cc1nc2ccccc2o1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127922 808186281 /nfs/dbraw/zinc/18/62/81/808186281.db2.gz LSRDQWVFIJJJKN-FICVDOATSA-N 2 1 299.418 3.275 20 0 CGADMP C[NH+](Cc1nc2ccccc2o1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127922 808186286 /nfs/dbraw/zinc/18/62/86/808186286.db2.gz LSRDQWVFIJJJKN-FICVDOATSA-N 2 1 299.418 3.275 20 0 CGADMP C[NH+](Cc1nc2ccccc2o1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127922 808186290 /nfs/dbraw/zinc/18/62/90/808186290.db2.gz LSRDQWVFIJJJKN-FICVDOATSA-N 2 1 299.418 3.275 20 0 CGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124587 808186711 /nfs/dbraw/zinc/18/67/11/808186711.db2.gz LSCBFJCXMZWZTJ-BDXSIMOUSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124587 808186715 /nfs/dbraw/zinc/18/67/15/808186715.db2.gz LSCBFJCXMZWZTJ-BDXSIMOUSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124587 808186717 /nfs/dbraw/zinc/18/67/17/808186717.db2.gz LSCBFJCXMZWZTJ-BDXSIMOUSA-N 2 1 299.462 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124587 808186721 /nfs/dbraw/zinc/18/67/21/808186721.db2.gz LSCBFJCXMZWZTJ-BDXSIMOUSA-N 2 1 299.462 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124587 808186724 /nfs/dbraw/zinc/18/67/24/808186724.db2.gz LSCBFJCXMZWZTJ-BDXSIMOUSA-N 2 1 299.462 3.276 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C[C@H]1C ZINC001172360863 808255667 /nfs/dbraw/zinc/25/56/67/808255667.db2.gz XVEIBVQKICXYBT-OWYFMNJBSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)OCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172439923 808314980 /nfs/dbraw/zinc/31/49/80/808314980.db2.gz FSKIZXMECQOPBV-JKSUJKDBSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172439923 808314987 /nfs/dbraw/zinc/31/49/87/808314987.db2.gz FSKIZXMECQOPBV-JKSUJKDBSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172464088 808333230 /nfs/dbraw/zinc/33/32/30/808333230.db2.gz ZIAOTBYDBVGYSD-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172464088 808333239 /nfs/dbraw/zinc/33/32/39/808333239.db2.gz ZIAOTBYDBVGYSD-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172643972 808405948 /nfs/dbraw/zinc/40/59/48/808405948.db2.gz HXUQJWNXTNWAKW-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172643972 808405955 /nfs/dbraw/zinc/40/59/55/808405955.db2.gz HXUQJWNXTNWAKW-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC001173242572 808549938 /nfs/dbraw/zinc/54/99/38/808549938.db2.gz WEXMQNYLFFBHJB-MAUKXSAKSA-N 2 1 274.452 3.254 20 0 CGADMP CCSC[C@@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001173291151 808591244 /nfs/dbraw/zinc/59/12/44/808591244.db2.gz MAHJAAXIQNOBAK-CQSZACIVSA-N 2 1 293.480 3.090 20 0 CGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001275054631 808901849 /nfs/dbraw/zinc/90/18/49/808901849.db2.gz CAIDGODLNQYTGR-GOOCMWNKSA-N 2 1 293.480 3.193 20 0 CGADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001275054631 808901854 /nfs/dbraw/zinc/90/18/54/808901854.db2.gz CAIDGODLNQYTGR-GOOCMWNKSA-N 2 1 293.480 3.193 20 0 CGADMP CCCC[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275117335 808911994 /nfs/dbraw/zinc/91/19/94/808911994.db2.gz ALRQFGOYTZDPMO-IYBDPMFKSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275117335 808912003 /nfs/dbraw/zinc/91/20/03/808912003.db2.gz ALRQFGOYTZDPMO-IYBDPMFKSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275117335 808912011 /nfs/dbraw/zinc/91/20/11/808912011.db2.gz ALRQFGOYTZDPMO-IYBDPMFKSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)ccc3F)C[C@H]2CC1 ZINC001276264175 808997910 /nfs/dbraw/zinc/99/79/10/808997910.db2.gz FZXDYCJBTUXUJI-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]2CC1 ZINC001276264175 808997917 /nfs/dbraw/zinc/99/79/17/808997917.db2.gz FZXDYCJBTUXUJI-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]2CC1 ZINC001276264175 808997921 /nfs/dbraw/zinc/99/79/21/808997921.db2.gz FZXDYCJBTUXUJI-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4ncccc34)C[C@H]2CC1 ZINC001276286761 809000299 /nfs/dbraw/zinc/00/02/99/809000299.db2.gz CKQJDUNULCLTGI-IYBDPMFKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4ncccc34)C[C@H]2CC1 ZINC001276286761 809000307 /nfs/dbraw/zinc/00/03/07/809000307.db2.gz CKQJDUNULCLTGI-IYBDPMFKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4ncccc34)C[C@H]2CC1 ZINC001276286761 809000312 /nfs/dbraw/zinc/00/03/12/809000312.db2.gz CKQJDUNULCLTGI-IYBDPMFKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(N)cc3Cl)(C1)CCC2 ZINC001276493966 809013301 /nfs/dbraw/zinc/01/33/01/809013301.db2.gz YNAKEBKTKPHCGX-JKSUJKDBSA-N 2 1 293.842 3.077 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)sc1C ZINC001276527212 809014334 /nfs/dbraw/zinc/01/43/34/809014334.db2.gz JDFAZELCFLFWMZ-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)sc1C ZINC001276527212 809014340 /nfs/dbraw/zinc/01/43/40/809014340.db2.gz JDFAZELCFLFWMZ-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)sc1C ZINC001276527212 809014346 /nfs/dbraw/zinc/01/43/46/809014346.db2.gz JDFAZELCFLFWMZ-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001276514257 809014825 /nfs/dbraw/zinc/01/48/25/809014825.db2.gz XCCRYGFUCISDTI-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCC3CCCC3)C2)C1 ZINC001276514257 809014817 /nfs/dbraw/zinc/01/48/17/809014817.db2.gz XCCRYGFUCISDTI-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001276514257 809014833 /nfs/dbraw/zinc/01/48/33/809014833.db2.gz XCCRYGFUCISDTI-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCc1ccc(Cl)cc1)CC2 ZINC001276533754 809015679 /nfs/dbraw/zinc/01/56/79/809015679.db2.gz HJTLSOXXRZIJBD-UHFFFAOYSA-N 2 1 292.854 3.300 20 0 CGADMP Cc1noc2ccc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc12 ZINC001277217119 809063331 /nfs/dbraw/zinc/06/33/31/809063331.db2.gz MFJNGJKCFDBSCC-GOSISDBHSA-N 2 1 299.418 3.054 20 0 CGADMP Cc1noc2ccc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc12 ZINC001277217119 809063342 /nfs/dbraw/zinc/06/33/42/809063342.db2.gz MFJNGJKCFDBSCC-GOSISDBHSA-N 2 1 299.418 3.054 20 0 CGADMP Cc1noc2ccc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc12 ZINC001277217119 809063351 /nfs/dbraw/zinc/06/33/51/809063351.db2.gz MFJNGJKCFDBSCC-GOSISDBHSA-N 2 1 299.418 3.054 20 0 CGADMP Cc1noc2ccc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc12 ZINC001277217119 809063356 /nfs/dbraw/zinc/06/33/56/809063356.db2.gz MFJNGJKCFDBSCC-GOSISDBHSA-N 2 1 299.418 3.054 20 0 CGADMP c1cc(N2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)cc[nH+]1 ZINC001277693488 809089445 /nfs/dbraw/zinc/08/94/45/809089445.db2.gz IWOJXCNUPNNGNG-GOSISDBHSA-N 2 1 285.435 3.317 20 0 CGADMP CC(C)[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277799559 809097343 /nfs/dbraw/zinc/09/73/43/809097343.db2.gz XTDHEOLBRSCULR-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC[C@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277807780 809098598 /nfs/dbraw/zinc/09/85/98/809098598.db2.gz QKOFMKDRTGFVGF-INIZCTEOSA-N 2 1 289.467 3.491 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(Nc2ccc(C[NH3+])cc2)cc1 ZINC001175968420 809584863 /nfs/dbraw/zinc/58/48/63/809584863.db2.gz AQFBCDNEVHTJTJ-UHFFFAOYSA-N 2 1 278.359 3.383 20 0 CGADMP CC[C@H](C[NH2+]C1C[C@@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC001177222861 809788298 /nfs/dbraw/zinc/78/82/98/809788298.db2.gz RZJUDJCTIZSFCR-OFQRWUPVSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC001177742465 809818255 /nfs/dbraw/zinc/81/82/55/809818255.db2.gz IVOTWUPHYQFRHK-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001178934856 809894708 /nfs/dbraw/zinc/89/47/08/809894708.db2.gz SGGWEKIANDQXKK-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC001178934856 809894711 /nfs/dbraw/zinc/89/47/11/809894711.db2.gz SGGWEKIANDQXKK-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179637048 809934183 /nfs/dbraw/zinc/93/41/83/809934183.db2.gz RFKQWMGWILOVLK-WBVHZDCISA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+](CCCc1ccc(F)c(F)c1)CCC[NH+]1CCCC1 ZINC001181235197 810043404 /nfs/dbraw/zinc/04/34/04/810043404.db2.gz RORASYLAAUQAQJ-UHFFFAOYSA-N 2 1 296.405 3.315 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC001183370899 810146570 /nfs/dbraw/zinc/14/65/70/810146570.db2.gz MSIPNQGBSZIAET-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC001183370899 810146575 /nfs/dbraw/zinc/14/65/75/810146575.db2.gz MSIPNQGBSZIAET-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC001183370899 810146578 /nfs/dbraw/zinc/14/65/78/810146578.db2.gz MSIPNQGBSZIAET-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC001183370899 810146582 /nfs/dbraw/zinc/14/65/82/810146582.db2.gz MSIPNQGBSZIAET-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC001194881784 811161860 /nfs/dbraw/zinc/16/18/60/811161860.db2.gz DCNRYXHARPZBIQ-QZTJIDSGSA-N 2 1 297.531 3.018 20 0 CGADMP C[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)CC(C)(C)C ZINC001196489680 811349762 /nfs/dbraw/zinc/34/97/62/811349762.db2.gz SGMOHOPBTVMEPK-CVEARBPZSA-N 2 1 284.488 3.101 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3CCCCCC3)CC[C@@H]21 ZINC001197033784 811390643 /nfs/dbraw/zinc/39/06/43/811390643.db2.gz YDQPAUUSBAPRPJ-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCC3CCCCCC3)CC[C@@H]21 ZINC001197033784 811390652 /nfs/dbraw/zinc/39/06/52/811390652.db2.gz YDQPAUUSBAPRPJ-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CCCCCC3)CC[C@@H]21 ZINC001197033784 811390659 /nfs/dbraw/zinc/39/06/59/811390659.db2.gz YDQPAUUSBAPRPJ-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CCCCCC3)CC[C@@H]21 ZINC001197033784 811390667 /nfs/dbraw/zinc/39/06/67/811390667.db2.gz YDQPAUUSBAPRPJ-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197194885 811404751 /nfs/dbraw/zinc/40/47/51/811404751.db2.gz WOUCTYPSPBCPKF-UHFFFAOYSA-N 2 1 254.462 3.332 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001199335694 811573094 /nfs/dbraw/zinc/57/30/94/811573094.db2.gz AIFLGUQMNOIXTO-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201552651 811900054 /nfs/dbraw/zinc/90/00/54/811900054.db2.gz PNYVWAFYVOKOPG-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201552651 811900062 /nfs/dbraw/zinc/90/00/62/811900062.db2.gz PNYVWAFYVOKOPG-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201552651 811900067 /nfs/dbraw/zinc/90/00/67/811900067.db2.gz PNYVWAFYVOKOPG-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001201639073 811927612 /nfs/dbraw/zinc/92/76/12/811927612.db2.gz YZFIBLDLNNCVPJ-UHFFFAOYSA-N 2 1 287.451 3.168 20 0 CGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001202065859 812008569 /nfs/dbraw/zinc/00/85/69/812008569.db2.gz WUFSOHJRZHIYME-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001202065859 812008579 /nfs/dbraw/zinc/00/85/79/812008579.db2.gz WUFSOHJRZHIYME-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001202065859 812008585 /nfs/dbraw/zinc/00/85/85/812008585.db2.gz WUFSOHJRZHIYME-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001202065859 812008594 /nfs/dbraw/zinc/00/85/94/812008594.db2.gz WUFSOHJRZHIYME-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC001202610761 812135451 /nfs/dbraw/zinc/13/54/51/812135451.db2.gz BHFDYGQIDIEZSN-OAGGEKHMSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC001202610761 812135454 /nfs/dbraw/zinc/13/54/54/812135454.db2.gz BHFDYGQIDIEZSN-OAGGEKHMSA-N 2 1 270.461 3.044 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001203033351 812221559 /nfs/dbraw/zinc/22/15/59/812221559.db2.gz WVCFBTBLWWAKRD-GJZGRUSLSA-N 2 1 254.462 3.379 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1F ZINC001203033390 812221857 /nfs/dbraw/zinc/22/18/57/812221857.db2.gz XPDTUSIKMRXVSA-UHFFFAOYSA-N 2 1 266.404 3.202 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cc1F ZINC001203033390 812221861 /nfs/dbraw/zinc/22/18/61/812221861.db2.gz XPDTUSIKMRXVSA-UHFFFAOYSA-N 2 1 266.404 3.202 20 0 CGADMP CCc1nc(C)c(CN2CC[C@H](OCc3ccccc3)C2)[nH]1 ZINC001203242416 812277887 /nfs/dbraw/zinc/27/78/87/812277887.db2.gz AKAZYTNJQMFIJC-INIZCTEOSA-N 2 1 299.418 3.072 20 0 CGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccco1 ZINC001203285378 812291771 /nfs/dbraw/zinc/29/17/71/812291771.db2.gz JKMYWTUDOBGVIQ-GJZGRUSLSA-N 2 1 262.397 3.118 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccco1 ZINC001203285378 812291779 /nfs/dbraw/zinc/29/17/79/812291779.db2.gz JKMYWTUDOBGVIQ-GJZGRUSLSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccco1 ZINC001203285378 812291784 /nfs/dbraw/zinc/29/17/84/812291784.db2.gz JKMYWTUDOBGVIQ-GJZGRUSLSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccco1 ZINC001203285378 812291790 /nfs/dbraw/zinc/29/17/90/812291790.db2.gz JKMYWTUDOBGVIQ-GJZGRUSLSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CC2CCC2)cc1 ZINC001204266986 812591714 /nfs/dbraw/zinc/59/17/14/812591714.db2.gz CGFLXKWGWICXER-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CC[C@H]1CCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268987 812592151 /nfs/dbraw/zinc/59/21/51/812592151.db2.gz RPZYGFTUTXDCJH-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001204604832 812687009 /nfs/dbraw/zinc/68/70/09/812687009.db2.gz YSBPFUHCCOHQIN-MRXNPFEDSA-N 2 1 260.425 3.429 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001204604832 812687013 /nfs/dbraw/zinc/68/70/13/812687013.db2.gz YSBPFUHCCOHQIN-MRXNPFEDSA-N 2 1 260.425 3.429 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccccc1 ZINC001204604217 812687655 /nfs/dbraw/zinc/68/76/55/812687655.db2.gz HNTZKQFDLXKXMW-UHFFFAOYSA-N 2 1 297.446 3.392 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC001204675748 812705393 /nfs/dbraw/zinc/70/53/93/812705393.db2.gz WBOUTXAMDDUYBM-UHFFFAOYSA-N 2 1 260.406 3.005 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC001204675748 812705398 /nfs/dbraw/zinc/70/53/98/812705398.db2.gz WBOUTXAMDDUYBM-UHFFFAOYSA-N 2 1 260.406 3.005 20 0 CGADMP Clc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204727786 812718606 /nfs/dbraw/zinc/71/86/06/812718606.db2.gz OYRGAHGHKNNWFU-UHFFFAOYSA-N 2 1 278.827 3.306 20 0 CGADMP C[C@]1([NH3+])CC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204763447 812729491 /nfs/dbraw/zinc/72/94/91/812729491.db2.gz KOCVCUPXBBKYSC-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@]1([NH3+])CC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204763447 812729495 /nfs/dbraw/zinc/72/94/95/812729495.db2.gz KOCVCUPXBBKYSC-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c2ccccc12 ZINC001204937369 812784702 /nfs/dbraw/zinc/78/47/02/812784702.db2.gz CSMKKHBCPIGCIW-GOSISDBHSA-N 2 1 284.403 3.162 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)c2ccccc12 ZINC001204937369 812784705 /nfs/dbraw/zinc/78/47/05/812784705.db2.gz CSMKKHBCPIGCIW-GOSISDBHSA-N 2 1 284.403 3.162 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001205110533 812870695 /nfs/dbraw/zinc/87/06/95/812870695.db2.gz VIMZXWDUAIVBAX-ZDUSSCGKSA-N 2 1 277.799 3.135 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123909 812876729 /nfs/dbraw/zinc/87/67/29/812876729.db2.gz GYSIANJVHLUJOF-MRXNPFEDSA-N 2 1 276.424 3.095 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H]1C[NH3+] ZINC001205141278 812885405 /nfs/dbraw/zinc/88/54/05/812885405.db2.gz ZXMUFNJNPPDLNV-KBXCAEBGSA-N 2 1 292.426 3.284 20 0 CGADMP Cc1cccc2c1CC[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001205164887 812894293 /nfs/dbraw/zinc/89/42/93/812894293.db2.gz UVHQEEZRJRHESH-UHFFFAOYSA-N 2 1 284.447 3.133 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001205274376 812925873 /nfs/dbraw/zinc/92/58/73/812925873.db2.gz WHDYTDCKZXMXLF-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC1 ZINC001205289522 812933814 /nfs/dbraw/zinc/93/38/14/812933814.db2.gz YMVXCJFZXDVZFZ-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)C[C@H]1C[NH3+] ZINC001205295976 812935567 /nfs/dbraw/zinc/93/55/67/812935567.db2.gz DTBBXJFOSKOMBP-IAGOWNOFSA-N 2 1 286.463 3.415 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1OC(C)C ZINC001205303266 812940903 /nfs/dbraw/zinc/94/09/03/812940903.db2.gz BSRZAILACGCITN-WMLDXEAASA-N 2 1 290.451 3.199 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205314375 812947935 /nfs/dbraw/zinc/94/79/35/812947935.db2.gz BFNVUMRQYWXWGR-IUODEOHRSA-N 2 1 280.843 3.319 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205314375 812947942 /nfs/dbraw/zinc/94/79/42/812947942.db2.gz BFNVUMRQYWXWGR-IUODEOHRSA-N 2 1 280.843 3.319 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205316496 812949644 /nfs/dbraw/zinc/94/96/44/812949644.db2.gz KBWVMLAMPOKXNT-YOEHRIQHSA-N 2 1 260.425 3.227 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C[C@@H]1C[NH3+] ZINC001205318187 812950539 /nfs/dbraw/zinc/95/05/39/812950539.db2.gz SRTXPKRHJHPPEC-DOMZBBRYSA-N 2 1 276.399 3.120 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205326297 812956496 /nfs/dbraw/zinc/95/64/96/812956496.db2.gz XZNAAQCAJBLFMU-LLVKDONJSA-N 2 1 277.799 3.005 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205326297 812956501 /nfs/dbraw/zinc/95/65/01/812956501.db2.gz XZNAAQCAJBLFMU-LLVKDONJSA-N 2 1 277.799 3.005 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001205331001 812958886 /nfs/dbraw/zinc/95/88/86/812958886.db2.gz BYJYXJBCBUBMJV-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001205331001 812958891 /nfs/dbraw/zinc/95/88/91/812958891.db2.gz BYJYXJBCBUBMJV-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2sccc21 ZINC001205331128 812959584 /nfs/dbraw/zinc/95/95/84/812959584.db2.gz FHJGNKQAXKDWNM-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2sccc21 ZINC001205331128 812959589 /nfs/dbraw/zinc/95/95/89/812959589.db2.gz FHJGNKQAXKDWNM-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC001205558036 813000934 /nfs/dbraw/zinc/00/09/34/813000934.db2.gz AZUWDFDRDXCTPS-INIZCTEOSA-N 2 1 276.355 3.086 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591179 813014715 /nfs/dbraw/zinc/01/47/15/813014715.db2.gz GGBYRUALRBXRJO-MRXNPFEDSA-N 2 1 296.455 3.452 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592070 813014935 /nfs/dbraw/zinc/01/49/35/813014935.db2.gz QXHXIDROUYUYMB-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205601358 813017748 /nfs/dbraw/zinc/01/77/48/813017748.db2.gz DTVFJGMQAREDPX-WCQYABFASA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001205602282 813019207 /nfs/dbraw/zinc/01/92/07/813019207.db2.gz IGOBBAQOKTVAQE-UKRRQHHQSA-N 2 1 280.843 3.189 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602560 813019253 /nfs/dbraw/zinc/01/92/53/813019253.db2.gz JPQWJEJWCKFOAZ-UKRRQHHQSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3cn2)CC[C@@H]1C[NH3+] ZINC001205625606 813032784 /nfs/dbraw/zinc/03/27/84/813032784.db2.gz BUEPYGOESHUDHM-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205628840 813033536 /nfs/dbraw/zinc/03/35/36/813033536.db2.gz XBDKEPFMKVRHMZ-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(C)c1F ZINC001205627654 813035065 /nfs/dbraw/zinc/03/50/65/813035065.db2.gz RIKBEKGNTMLEPD-LRDDRELGSA-N 2 1 278.415 3.249 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205638711 813038751 /nfs/dbraw/zinc/03/87/51/813038751.db2.gz RGTWCUXMLZMCEJ-RDTXWAMCSA-N 2 1 272.436 3.371 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c1 ZINC001205639167 813038933 /nfs/dbraw/zinc/03/89/33/813038933.db2.gz WTAZEGKTURFEBO-STQMWFEESA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3ncsc32)CC[C@H]1C[NH3+] ZINC001205639001 813039370 /nfs/dbraw/zinc/03/93/70/813039370.db2.gz UNOXQJMAGBSXEH-OLZOCXBDSA-N 2 1 289.448 3.103 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651816 813043066 /nfs/dbraw/zinc/04/30/66/813043066.db2.gz KBTYSRNILIKAFH-JKSUJKDBSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205829311 813100455 /nfs/dbraw/zinc/10/04/55/813100455.db2.gz OHIGUDCYNVXFRU-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205829311 813100460 /nfs/dbraw/zinc/10/04/60/813100460.db2.gz OHIGUDCYNVXFRU-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001205901727 813122931 /nfs/dbraw/zinc/12/29/31/813122931.db2.gz FSAXXNJOPQNMNN-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205902604 813124812 /nfs/dbraw/zinc/12/48/12/813124812.db2.gz KWEQHDAYIKBCDE-LSDHHAIUSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c21 ZINC001205903858 813126875 /nfs/dbraw/zinc/12/68/75/813126875.db2.gz RINHHBMWEPFFPO-KGLIPLIRSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001205905207 813128283 /nfs/dbraw/zinc/12/82/83/813128283.db2.gz ZIWXAYZQNZDRKW-RYUDHWBXSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001205905207 813128285 /nfs/dbraw/zinc/12/82/85/813128285.db2.gz ZIWXAYZQNZDRKW-RYUDHWBXSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001205913215 813129711 /nfs/dbraw/zinc/12/97/11/813129711.db2.gz HPPXZQLAYQASGO-WFASDCNBSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccc2)cc1 ZINC001205916162 813132865 /nfs/dbraw/zinc/13/28/65/813132865.db2.gz SCZRMJPOULXLPW-WBVHZDCISA-N 2 1 283.419 3.037 20 0 CGADMP COc1ccc2cc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)ccc2c1 ZINC001205930992 813137915 /nfs/dbraw/zinc/13/79/15/813137915.db2.gz FNIUBEVMUGUWTA-QGZVFWFLSA-N 2 1 284.403 3.162 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCCC[C@@H]([NH3+])C3)ccc2c1 ZINC001205930992 813137919 /nfs/dbraw/zinc/13/79/19/813137919.db2.gz FNIUBEVMUGUWTA-QGZVFWFLSA-N 2 1 284.403 3.162 20 0 CGADMP C[C@H]1C[N@@H+](CC2(C)CCCCC2)CCC[C@H]1C[NH3+] ZINC001205981705 813151830 /nfs/dbraw/zinc/15/18/30/813151830.db2.gz FTYKLOFHIGVREL-GJZGRUSLSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@H]1C[N@@H+](CCc2ccc(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205985649 813152600 /nfs/dbraw/zinc/15/26/00/813152600.db2.gz ZDTYXROZOSQFQD-GXTWGEPZSA-N 2 1 298.833 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)CCC[C@H]1C[NH3+] ZINC001205992062 813155374 /nfs/dbraw/zinc/15/53/74/813155374.db2.gz DEZXASFVSJQAIT-OLZOCXBDSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCC[C@@H]1C[NH3+] ZINC001205993407 813155743 /nfs/dbraw/zinc/15/57/43/813155743.db2.gz HMVKJPUSCNBMSM-WMLDXEAASA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206003758 813161129 /nfs/dbraw/zinc/16/11/29/813161129.db2.gz MHKDKJODKPCMRN-KBPBESRZSA-N 2 1 280.843 3.455 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206004010 813161356 /nfs/dbraw/zinc/16/13/56/813161356.db2.gz OTMTZRUDUXZQOJ-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1Cl ZINC001206003706 813161557 /nfs/dbraw/zinc/16/15/57/813161557.db2.gz LLNLVRHGQAEFJQ-DZGCQCFKSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccncc32)CCC[C@@H]1C[NH3+] ZINC001206002777 813161710 /nfs/dbraw/zinc/16/17/10/813161710.db2.gz AUJQWILKJQABHD-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206004802 813162343 /nfs/dbraw/zinc/16/23/43/813162343.db2.gz VPFCYLDVLZMGEN-YPMHNXCESA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccc3)cc2)CCC[C@H]1C[NH3+] ZINC001206011577 813163323 /nfs/dbraw/zinc/16/33/23/813163323.db2.gz DYMRGCVJNHCPAN-AEFFLSMTSA-N 2 1 297.446 3.284 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(C)c1F ZINC001206013187 813165442 /nfs/dbraw/zinc/16/54/42/813165442.db2.gz QARJOLSEEYPKDZ-HOCLYGCPSA-N 2 1 278.415 3.249 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206022102 813169513 /nfs/dbraw/zinc/16/95/13/813169513.db2.gz BHOPTAKLYWCBDG-UONOGXRCSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c12 ZINC001206024521 813170242 /nfs/dbraw/zinc/17/02/42/813170242.db2.gz JPDXAEWNEUWWSU-CVEARBPZSA-N 2 1 297.446 3.350 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCc2cccc(Cl)c2)CC[C@H]1F ZINC001206155874 813216366 /nfs/dbraw/zinc/21/63/66/813216366.db2.gz MWBFMPITNSVSLN-CABCVRRESA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCc2cccc(Cl)c2)CC[C@H]1F ZINC001206155874 813216370 /nfs/dbraw/zinc/21/63/70/813216370.db2.gz MWBFMPITNSVSLN-CABCVRRESA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3ccccc32)CC[C@@H]1F ZINC001206156439 813217217 /nfs/dbraw/zinc/21/72/17/813217217.db2.gz QWIIXFABTVYHFQ-DLBZAZTESA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1F ZINC001206156439 813217222 /nfs/dbraw/zinc/21/72/22/813217222.db2.gz QWIIXFABTVYHFQ-DLBZAZTESA-N 2 1 272.367 3.101 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206184609 813230049 /nfs/dbraw/zinc/23/00/49/813230049.db2.gz JBLYVKKWLKHMGM-HZPDHXFCSA-N 2 1 294.414 3.125 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC001206303131 813279203 /nfs/dbraw/zinc/27/92/03/813279203.db2.gz BMYHTBNAYPMVLV-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1C ZINC001206305161 813281979 /nfs/dbraw/zinc/28/19/79/813281979.db2.gz UZTCOBGSJCSZJH-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206304734 813282014 /nfs/dbraw/zinc/28/20/14/813282014.db2.gz OUFGRLDIYJQFBA-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311455 813284104 /nfs/dbraw/zinc/28/41/04/813284104.db2.gz OWOXTBJVFKETTM-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)sc1C ZINC001206317058 813286895 /nfs/dbraw/zinc/28/68/95/813286895.db2.gz BUYWRCJSCABREL-HNNXBMFYSA-N 2 1 266.454 3.316 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)cc3ccccc32)CC1 ZINC001206326564 813289512 /nfs/dbraw/zinc/28/95/12/813289512.db2.gz PFPYXTVDOZYRML-LJQANCHMSA-N 2 1 298.430 3.496 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001206326824 813289806 /nfs/dbraw/zinc/28/98/06/813289806.db2.gz PMJLVUSSZLWLFK-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001206336106 813294079 /nfs/dbraw/zinc/29/40/79/813294079.db2.gz JZDRJTOYXBOGPS-JYJNAYRXSA-N 2 1 268.420 3.132 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001206336106 813294082 /nfs/dbraw/zinc/29/40/82/813294082.db2.gz JZDRJTOYXBOGPS-JYJNAYRXSA-N 2 1 268.420 3.132 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001206343630 813296163 /nfs/dbraw/zinc/29/61/63/813296163.db2.gz HHDSJNHJLFXYHJ-SFHVURJKSA-N 2 1 286.394 3.493 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001206343630 813296169 /nfs/dbraw/zinc/29/61/69/813296169.db2.gz HHDSJNHJLFXYHJ-SFHVURJKSA-N 2 1 286.394 3.493 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC001206549678 813348524 /nfs/dbraw/zinc/34/85/24/813348524.db2.gz PUQLFOHCUWQLFI-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC001206549837 813349747 /nfs/dbraw/zinc/34/97/47/813349747.db2.gz QPAAJLBZGGPRPU-INIZCTEOSA-N 2 1 298.377 3.239 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556704 813351637 /nfs/dbraw/zinc/35/16/37/813351637.db2.gz VSMFOULTOPTGEY-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP CC(C)[N@@H+](CCc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206582693 813361424 /nfs/dbraw/zinc/36/14/24/813361424.db2.gz OLCUIBDZSSTQPU-QGZVFWFLSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1ccc(CCC[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)o1 ZINC001206579863 813363158 /nfs/dbraw/zinc/36/31/58/813363158.db2.gz AJBCPVOOPSFPAT-INIZCTEOSA-N 2 1 278.440 3.373 20 0 CGADMP COc1cc(F)cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206591064 813366421 /nfs/dbraw/zinc/36/64/21/813366421.db2.gz QBFFJNMFJPMYEX-MRXNPFEDSA-N 2 1 294.414 3.187 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC001206606279 813372705 /nfs/dbraw/zinc/37/27/05/813372705.db2.gz JBDNYPKCKLQQKW-GFCCVEGCSA-N 2 1 284.806 3.082 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)NCC2)[C@@H]1CCC[NH2+]CC1 ZINC001206606316 813373611 /nfs/dbraw/zinc/37/36/11/813373611.db2.gz KEEPQKAAAYMXBG-QGZVFWFLSA-N 2 1 287.451 3.007 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639958 813383141 /nfs/dbraw/zinc/38/31/41/813383141.db2.gz HHHKOZOHCMZTFF-OAHLLOKOSA-N 2 1 260.425 3.118 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640889 813383759 /nfs/dbraw/zinc/38/37/59/813383759.db2.gz OQIAFZWSFWRFLN-HNNXBMFYSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206648091 813389002 /nfs/dbraw/zinc/38/90/02/813389002.db2.gz LTMYKGKLZSDCGA-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206768986 813432108 /nfs/dbraw/zinc/43/21/08/813432108.db2.gz MEUKRSFGYIOQLC-WMLDXEAASA-N 2 1 260.425 3.198 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206768988 813432441 /nfs/dbraw/zinc/43/24/41/813432441.db2.gz MEUKRSFGYIOQLC-YOEHRIQHSA-N 2 1 260.425 3.198 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770568 813432773 /nfs/dbraw/zinc/43/27/73/813432773.db2.gz SRZYTALFWTVNLR-HUUCEWRRSA-N 2 1 276.424 3.033 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206806157 813441013 /nfs/dbraw/zinc/44/10/13/813441013.db2.gz FVORXQPNLPCAIT-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206806157 813441020 /nfs/dbraw/zinc/44/10/20/813441020.db2.gz FVORXQPNLPCAIT-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc2cccccc1-2 ZINC001206805665 813441590 /nfs/dbraw/zinc/44/15/90/813441590.db2.gz CDOZDYFZAVBNRL-CABCVRRESA-N 2 1 268.404 3.351 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206806677 813441726 /nfs/dbraw/zinc/44/17/26/813441726.db2.gz HEROSNSZAQVFQW-UONOGXRCSA-N 2 1 278.465 3.276 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206806671 813442089 /nfs/dbraw/zinc/44/20/89/813442089.db2.gz HEROSNSZAQVFQW-KBPBESRZSA-N 2 1 278.465 3.276 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207185576 813509528 /nfs/dbraw/zinc/50/95/28/813509528.db2.gz PINXBUCDZCPAKT-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001207185576 813509531 /nfs/dbraw/zinc/50/95/31/813509531.db2.gz PINXBUCDZCPAKT-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CCc3nccn3CC2)C1(C)C ZINC001207277673 813532276 /nfs/dbraw/zinc/53/22/76/813532276.db2.gz VEBLOQXPKCGEEK-HNNXBMFYSA-N 2 1 273.424 3.124 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCc3[nH+]ccn3CC2)C1(C)C ZINC001207277673 813532277 /nfs/dbraw/zinc/53/22/77/813532277.db2.gz VEBLOQXPKCGEEK-HNNXBMFYSA-N 2 1 273.424 3.124 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CCc3[nH+]ccn3CC2)C1(C)C ZINC001207277673 813532278 /nfs/dbraw/zinc/53/22/78/813532278.db2.gz VEBLOQXPKCGEEK-HNNXBMFYSA-N 2 1 273.424 3.124 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC001207438043 813564942 /nfs/dbraw/zinc/56/49/42/813564942.db2.gz SAICCMYBOLNLQG-SFHVURJKSA-N 2 1 288.435 3.222 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)C1CCCCC1 ZINC001207480170 813573478 /nfs/dbraw/zinc/57/34/78/813573478.db2.gz VSTSOSWSKCSSFJ-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCCCc3ccccc3)C2)CC1 ZINC001207617066 813617495 /nfs/dbraw/zinc/61/74/95/813617495.db2.gz SYYUQPNGUKVBJA-UHFFFAOYSA-N 2 1 286.463 3.427 20 0 CGADMP COC1(C[N@@H+](C)CC(C)(C)C[NH+](C)C)CCCCCC1 ZINC001207738634 813642166 /nfs/dbraw/zinc/64/21/66/813642166.db2.gz GREFABGYSXDZNH-UHFFFAOYSA-N 2 1 284.488 3.245 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC[C@@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001208161387 813717965 /nfs/dbraw/zinc/71/79/65/813717965.db2.gz KKPHTCNTVMADSO-OIISXLGYSA-N 2 1 290.451 3.355 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC[C@@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001208161387 813717971 /nfs/dbraw/zinc/71/79/71/813717971.db2.gz KKPHTCNTVMADSO-OIISXLGYSA-N 2 1 290.451 3.355 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CC[C@@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001208161387 813717975 /nfs/dbraw/zinc/71/79/75/813717975.db2.gz KKPHTCNTVMADSO-OIISXLGYSA-N 2 1 290.451 3.355 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCC(C)=C[C@@H]1C ZINC001208171387 813725703 /nfs/dbraw/zinc/72/57/03/813725703.db2.gz WNNFAZIMADPOHE-JKSUJKDBSA-N 2 1 252.446 3.252 20 0 CGADMP CCC[N@@H+](CC1CC1)CC1(C[NH+](C)C)CCCC1 ZINC001208181974 813734166 /nfs/dbraw/zinc/73/41/66/813734166.db2.gz GQLGZUJUIHQNHS-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2Cc3cccc(C)c3C2)CC1 ZINC001208593589 813768979 /nfs/dbraw/zinc/76/89/79/813768979.db2.gz XLYHZTVWQRISFH-UHFFFAOYSA-N 2 1 258.409 3.043 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(C(C)(C)C)CC2)C1 ZINC001208604376 813770995 /nfs/dbraw/zinc/77/09/95/813770995.db2.gz NSJZBPBKVZDREU-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001208597532 813771973 /nfs/dbraw/zinc/77/19/73/813771973.db2.gz ITFVFEPHHOJDDH-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208613127 813772879 /nfs/dbraw/zinc/77/28/79/813772879.db2.gz PNSRQZFPWVAIBG-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208613127 813772882 /nfs/dbraw/zinc/77/28/82/813772882.db2.gz PNSRQZFPWVAIBG-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208613127 813772885 /nfs/dbraw/zinc/77/28/85/813772885.db2.gz PNSRQZFPWVAIBG-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccccc2)C1 ZINC001208609726 813773828 /nfs/dbraw/zinc/77/38/28/813773828.db2.gz WZXVWUJZSAFPNU-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccccc2)C1 ZINC001208609726 813773834 /nfs/dbraw/zinc/77/38/34/813773834.db2.gz WZXVWUJZSAFPNU-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001208609726 813773842 /nfs/dbraw/zinc/77/38/42/813773842.db2.gz WZXVWUJZSAFPNU-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001208609726 813773847 /nfs/dbraw/zinc/77/38/47/813773847.db2.gz WZXVWUJZSAFPNU-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208607355 813774106 /nfs/dbraw/zinc/77/41/06/813774106.db2.gz MEGZHAWXUPMULP-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208607355 813774110 /nfs/dbraw/zinc/77/41/10/813774110.db2.gz MEGZHAWXUPMULP-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208607355 813774114 /nfs/dbraw/zinc/77/41/14/813774114.db2.gz MEGZHAWXUPMULP-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208607355 813774119 /nfs/dbraw/zinc/77/41/19/813774119.db2.gz MEGZHAWXUPMULP-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)(c3ccccc3)CC2)C1 ZINC001208613953 813774341 /nfs/dbraw/zinc/77/43/41/813774341.db2.gz BJKRIYNSIJUBEV-QGZVFWFLSA-N 2 1 286.463 3.382 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614963 813778058 /nfs/dbraw/zinc/77/80/58/813778058.db2.gz FZPHIJCJJCDSBE-OAHLLOKOSA-N 2 1 272.436 3.122 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614963 813778063 /nfs/dbraw/zinc/77/80/63/813778063.db2.gz FZPHIJCJJCDSBE-OAHLLOKOSA-N 2 1 272.436 3.122 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614963 813778070 /nfs/dbraw/zinc/77/80/70/813778070.db2.gz FZPHIJCJJCDSBE-OAHLLOKOSA-N 2 1 272.436 3.122 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(C)(C)c3ccccc3)C2)C1 ZINC001208669039 813790919 /nfs/dbraw/zinc/79/09/19/813790919.db2.gz FBUIDIWLLXUTCV-LJQANCHMSA-N 2 1 286.463 3.382 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(C)(C)c3ccccc3)C2)C1 ZINC001208669039 813790923 /nfs/dbraw/zinc/79/09/23/813790923.db2.gz FBUIDIWLLXUTCV-LJQANCHMSA-N 2 1 286.463 3.382 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC4CC4)C[C@H]3C2)cc1 ZINC001208681129 813793328 /nfs/dbraw/zinc/79/33/28/813793328.db2.gz NROJDBGKEJYTDM-KDURUIRLSA-N 2 1 284.447 3.159 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CC4)C[C@H]3C2)cc1 ZINC001208681129 813793335 /nfs/dbraw/zinc/79/33/35/813793335.db2.gz NROJDBGKEJYTDM-KDURUIRLSA-N 2 1 284.447 3.159 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCC4CC4)C[C@H]3C2)cc1 ZINC001208681129 813793341 /nfs/dbraw/zinc/79/33/41/813793341.db2.gz NROJDBGKEJYTDM-KDURUIRLSA-N 2 1 284.447 3.159 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001208778926 813844132 /nfs/dbraw/zinc/84/41/32/813844132.db2.gz CQVDAANUVSSGEK-UYAOXDASSA-N 2 1 298.474 3.382 20 0 CGADMP C[N@@H+]1CC=C(Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001208837103 813859909 /nfs/dbraw/zinc/85/99/09/813859909.db2.gz FVNWSGZNZXPFKF-UHFFFAOYSA-N 2 1 285.435 3.304 20 0 CGADMP Nc1cc[nH+]cc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001209735155 814123659 /nfs/dbraw/zinc/12/36/59/814123659.db2.gz WOQQJLDNMCONDW-UHFFFAOYSA-N 2 1 285.366 3.013 20 0 CGADMP c1[nH]c2ccc(Nc3cc[nH+]c(N4CCCC4)c3)cc2[nH+]1 ZINC001209844324 814161626 /nfs/dbraw/zinc/16/16/26/814161626.db2.gz LRZFNYASXCSWMZ-UHFFFAOYSA-N 2 1 279.347 3.302 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210474268 814477840 /nfs/dbraw/zinc/47/78/40/814477840.db2.gz FMLOFXXMUPLFRK-GFCCVEGCSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210474268 814477841 /nfs/dbraw/zinc/47/78/41/814477841.db2.gz FMLOFXXMUPLFRK-GFCCVEGCSA-N 2 1 274.433 3.394 20 0 CGADMP [NH3+]CC1C[NH+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001210544447 814517092 /nfs/dbraw/zinc/51/70/92/814517092.db2.gz LQGXVOUOVFWKDF-UHFFFAOYSA-N 2 1 258.409 3.125 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCC1(F)F ZINC001210561891 814527884 /nfs/dbraw/zinc/52/78/84/814527884.db2.gz XIKDALJWNQJWRX-UHFFFAOYSA-N 2 1 294.389 3.200 20 0 CGADMP C[NH2+]Cc1cccc(Nc2c[nH+]c3cccc(C)n23)c1F ZINC001216223026 815742833 /nfs/dbraw/zinc/74/28/33/815742833.db2.gz HUMQOWGUILAYJC-UHFFFAOYSA-N 2 1 284.338 3.245 20 0 CGADMP C(C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)C1CC1 ZINC001222154130 816361057 /nfs/dbraw/zinc/36/10/57/816361057.db2.gz FZCXBQSFZWUYEK-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP CC(C)(C)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154187 816361296 /nfs/dbraw/zinc/36/12/96/816361296.db2.gz HXYXBYGSPLGURI-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155227 816362715 /nfs/dbraw/zinc/36/27/15/816362715.db2.gz YHBYXPRPVGSEJY-HZPDHXFCSA-N 2 1 252.446 3.278 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001222190671 816370745 /nfs/dbraw/zinc/37/07/45/816370745.db2.gz DVDWAJCLJORPKV-SFHVURJKSA-N 2 1 272.436 3.182 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001222190671 816370759 /nfs/dbraw/zinc/37/07/59/816370759.db2.gz DVDWAJCLJORPKV-SFHVURJKSA-N 2 1 272.436 3.182 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222258899 816389578 /nfs/dbraw/zinc/38/95/78/816389578.db2.gz INDYTVQNKOFKHD-SFHVURJKSA-N 2 1 290.426 3.224 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1C ZINC001222309767 816404925 /nfs/dbraw/zinc/40/49/25/816404925.db2.gz RIKWINFIRSQTGP-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP COc1cc(C)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222314559 816405922 /nfs/dbraw/zinc/40/59/22/816405922.db2.gz HUGWADPTBNJFTQ-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347105 816415688 /nfs/dbraw/zinc/41/56/88/816415688.db2.gz WEPZOMLHHLJYHI-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347105 816415693 /nfs/dbraw/zinc/41/56/93/816415693.db2.gz WEPZOMLHHLJYHI-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP Fc1ccc(CCC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384885 816425757 /nfs/dbraw/zinc/42/57/57/816425757.db2.gz BGYDMPRZTDVGNL-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384885 816425764 /nfs/dbraw/zinc/42/57/64/816425764.db2.gz BGYDMPRZTDVGNL-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP C(C[N@H+]1CCCC2(CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC001222400718 816433267 /nfs/dbraw/zinc/43/32/67/816433267.db2.gz FONXNWCEAYMINC-HNNXBMFYSA-N 2 1 250.430 3.175 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001222420486 816439838 /nfs/dbraw/zinc/43/98/38/816439838.db2.gz DDLCMOMAKDYRHE-YESZJQIVSA-N 2 1 262.441 3.197 20 0 CGADMP Fc1ccc(F)c(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c1F ZINC001222452900 816448822 /nfs/dbraw/zinc/44/88/22/816448822.db2.gz NLORBPPKFDZJFW-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP Fc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222595838 816474984 /nfs/dbraw/zinc/47/49/84/816474984.db2.gz KDKBRARFFCPLLA-SFHVURJKSA-N 2 1 296.389 3.015 20 0 CGADMP Fc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222595838 816474990 /nfs/dbraw/zinc/47/49/90/816474990.db2.gz KDKBRARFFCPLLA-SFHVURJKSA-N 2 1 296.389 3.015 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)CCCC2)cc1 ZINC001222616186 816479063 /nfs/dbraw/zinc/47/90/63/816479063.db2.gz ZCAXVNIPAGCXJC-FUHWJXTLSA-N 2 1 284.447 3.182 20 0 CGADMP Fc1cccc2c(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cccc12 ZINC001222620445 816480661 /nfs/dbraw/zinc/48/06/61/816480661.db2.gz SIWLTBVUFYNCGN-SCLBCKFNSA-N 2 1 284.378 3.163 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620432 816480842 /nfs/dbraw/zinc/48/08/42/816480842.db2.gz RWJLRWMWASTYRO-ZWKOTPCHSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)CC(C)(C)C ZINC001222624398 816482847 /nfs/dbraw/zinc/48/28/47/816482847.db2.gz ZKRAKPLTNGRTQR-OAGGEKHMSA-N 2 1 266.473 3.380 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222629795 816483208 /nfs/dbraw/zinc/48/32/08/816483208.db2.gz PGGXQGGKLKUENS-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP CCCc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)s1 ZINC001226785429 817464446 /nfs/dbraw/zinc/46/44/46/817464446.db2.gz TVSJBDYHDMFZLE-UHFFFAOYSA-N 2 1 278.465 3.419 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)cc1C ZINC001231485020 818109919 /nfs/dbraw/zinc/10/99/19/818109919.db2.gz GLOUBXTZYJRWLZ-WMZOPIPTSA-N 2 1 272.436 3.138 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001231813631 818184976 /nfs/dbraw/zinc/18/49/76/818184976.db2.gz ONRUJXQEBUASGC-IRXDYDNUSA-N 2 1 296.414 3.330 20 0 CGADMP FC(F)[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014877 818232960 /nfs/dbraw/zinc/23/29/60/818232960.db2.gz WBJOOXMJMDLBDS-SNVBAGLBSA-N 2 1 265.307 3.040 20 0 CGADMP C[C@]1(F)CCCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011773 818233514 /nfs/dbraw/zinc/23/35/14/818233514.db2.gz PALSBKWKJVKTOT-HNNXBMFYSA-N 2 1 261.344 3.277 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCc3ccccc3C2)c1 ZINC001232145453 818264602 /nfs/dbraw/zinc/26/46/02/818264602.db2.gz UAZLZBZUYZOZBR-UHFFFAOYSA-N 2 1 298.405 3.446 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(O)c2F)CC1 ZINC001233051788 818510332 /nfs/dbraw/zinc/51/03/32/818510332.db2.gz AMUQKEUOHREZTB-UHFFFAOYSA-N 2 1 294.414 3.084 20 0 CGADMP CCOC(=[NH2+])c1ccc(OC2CC[NH+](C(C)C)CC2)cc1 ZINC001234587556 818886570 /nfs/dbraw/zinc/88/65/70/818886570.db2.gz BKDOIUDSYIPERV-UHFFFAOYSA-N 2 1 290.407 3.300 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001234991989 818969608 /nfs/dbraw/zinc/96/96/08/818969608.db2.gz ICMGSSYYHVHHBZ-GVDBMIGSSA-N 2 1 262.441 3.054 20 0 CGADMP c1ccc(CCCCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234993027 818969868 /nfs/dbraw/zinc/96/98/68/818969868.db2.gz OEQISIZUCLXKHC-LJQANCHMSA-N 2 1 286.463 3.475 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235001789 818975166 /nfs/dbraw/zinc/97/51/66/818975166.db2.gz XSYOCXWRUFEKRI-KRWDZBQOSA-N 2 1 290.476 3.374 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235001789 818975169 /nfs/dbraw/zinc/97/51/69/818975169.db2.gz XSYOCXWRUFEKRI-KRWDZBQOSA-N 2 1 290.476 3.374 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235027166 818982411 /nfs/dbraw/zinc/98/24/11/818982411.db2.gz VUXXCPDEDBJCHV-ZYSHUDEJSA-N 2 1 286.463 3.282 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031602 818983766 /nfs/dbraw/zinc/98/37/66/818983766.db2.gz LMEPILWUAOIARR-HZPDHXFCSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001235032573 818984409 /nfs/dbraw/zinc/98/44/09/818984409.db2.gz RGLBLOHHUJMGQF-GOEBONIOSA-N 2 1 252.446 3.134 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc2c1CCC2 ZINC001235039795 818988201 /nfs/dbraw/zinc/98/82/01/818988201.db2.gz IEYAWZHQPDYWTA-IBGZPJMESA-N 2 1 284.447 3.283 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048432 818992079 /nfs/dbraw/zinc/99/20/79/818992079.db2.gz YBMHIEFTOBVFOU-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048432 818992083 /nfs/dbraw/zinc/99/20/83/818992083.db2.gz YBMHIEFTOBVFOU-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Fc1ccccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151337 819018721 /nfs/dbraw/zinc/01/87/21/819018721.db2.gz GJSADUJWJDPASE-KRWDZBQOSA-N 2 1 276.399 3.180 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CCCC2)CC1 ZINC001235157944 819019174 /nfs/dbraw/zinc/01/91/74/819019174.db2.gz SOGBPTMQEUZZID-KGLIPLIRSA-N 2 1 286.410 3.133 20 0 CGADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235165241 819019279 /nfs/dbraw/zinc/01/92/79/819019279.db2.gz HOQCVGFXGHSDMS-LSDHHAIUSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235165241 819019284 /nfs/dbraw/zinc/01/92/84/819019284.db2.gz HOQCVGFXGHSDMS-LSDHHAIUSA-N 2 1 298.352 3.061 20 0 CGADMP Fc1ccc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235159162 819019577 /nfs/dbraw/zinc/01/95/77/819019577.db2.gz VVBUGHXMVJZWEH-KRWDZBQOSA-N 2 1 294.389 3.319 20 0 CGADMP Cn1ccc2c1cccc2C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235167525 819020562 /nfs/dbraw/zinc/02/05/62/819020562.db2.gz KMZZMAYIQGQINJ-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235167525 819020566 /nfs/dbraw/zinc/02/05/66/819020566.db2.gz KMZZMAYIQGQINJ-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP C[C@H](C[N@H+]1CCCCC12CC[NH2+]CC2)c1ccccc1 ZINC001235191035 819028924 /nfs/dbraw/zinc/02/89/24/819028924.db2.gz NZWKOMCEIDCLDY-MRXNPFEDSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc2ccccc21 ZINC001235192536 819032785 /nfs/dbraw/zinc/03/27/85/819032785.db2.gz CONQCSZDNAIMLY-CGTJXYLNSA-N 2 1 294.442 3.485 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)cc2)cc1 ZINC001235209529 819036815 /nfs/dbraw/zinc/03/68/15/819036815.db2.gz BKRGWQDZJXTAAW-BWTSREIZSA-N 2 1 278.399 3.051 20 0 CGADMP c1ccc(C2(C[N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)CCCC2)cc1 ZINC001235209904 819037298 /nfs/dbraw/zinc/03/72/98/819037298.db2.gz UCIZGCDEIBECBX-AEFFLSMTSA-N 2 1 284.447 3.182 20 0 CGADMP c1ccc(C2(C[N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)CCCC2)cc1 ZINC001235209904 819037301 /nfs/dbraw/zinc/03/73/01/819037301.db2.gz UCIZGCDEIBECBX-AEFFLSMTSA-N 2 1 284.447 3.182 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209795 819037585 /nfs/dbraw/zinc/03/75/85/819037585.db2.gz QQWZAGWPBWTNIW-JHNDHUHGSA-N 2 1 290.838 3.127 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209795 819037593 /nfs/dbraw/zinc/03/75/93/819037593.db2.gz QQWZAGWPBWTNIW-JHNDHUHGSA-N 2 1 290.838 3.127 20 0 CGADMP CCc1cccc2c(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)c[nH]c21 ZINC001235241822 819046154 /nfs/dbraw/zinc/04/61/54/819046154.db2.gz ZKWTVOASHGQKAG-CRAIPNDOSA-N 2 1 283.419 3.044 20 0 CGADMP CCc1cccc2c(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)c[nH]c21 ZINC001235241822 819046160 /nfs/dbraw/zinc/04/61/60/819046160.db2.gz ZKWTVOASHGQKAG-CRAIPNDOSA-N 2 1 283.419 3.044 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235256778 819053197 /nfs/dbraw/zinc/05/31/97/819053197.db2.gz TTWUNUWXNHWMTB-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235273386 819060064 /nfs/dbraw/zinc/06/00/64/819060064.db2.gz SADUYBIIXDURDA-BBRMVZONSA-N 2 1 286.444 3.394 20 0 CGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235285195 819060828 /nfs/dbraw/zinc/06/08/28/819060828.db2.gz PYRXFUXERLNEDA-IZZQQSIFSA-N 2 1 296.414 3.016 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1Cl ZINC001235342146 819072056 /nfs/dbraw/zinc/07/20/56/819072056.db2.gz TXMMMFMISMPNPR-LLVKDONJSA-N 2 1 299.245 3.343 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1(C)C ZINC001235394205 819083163 /nfs/dbraw/zinc/08/31/63/819083163.db2.gz CHEGMMPMZJEQKO-BZUAXINKSA-N 2 1 294.458 3.378 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400625 819085008 /nfs/dbraw/zinc/08/50/08/819085008.db2.gz DPXLEVSKIXVAKI-MSOLQXFVSA-N 2 1 290.426 3.334 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235429358 819095124 /nfs/dbraw/zinc/09/51/24/819095124.db2.gz XHOYMZHXZWQRAJ-OALUTQOASA-N 2 1 286.463 3.461 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(F)c1F)CC1CC[NH2+]CC1 ZINC001235433021 819095696 /nfs/dbraw/zinc/09/56/96/819095696.db2.gz DNXBBCFRNUTYAB-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001235433464 819095764 /nfs/dbraw/zinc/09/57/64/819095764.db2.gz IMUYOQORYPTSQI-UHFFFAOYSA-N 2 1 274.452 3.461 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235432093 819096346 /nfs/dbraw/zinc/09/63/46/819096346.db2.gz HTOPCOOWZYYCCF-UHFFFAOYSA-N 2 1 294.414 3.044 20 0 CGADMP C[N@H+](Cc1ccc(F)c(C2CC2)c1)CC1CC[NH2+]CC1 ZINC001235432665 819096711 /nfs/dbraw/zinc/09/67/11/819096711.db2.gz QIAOVXZTZMWHGA-UHFFFAOYSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1ccccc1Oc1ccc(F)cc1 ZINC001235435278 819097476 /nfs/dbraw/zinc/09/74/76/819097476.db2.gz GOKRGOIQMNDDFT-UHFFFAOYSA-N 2 1 288.366 3.399 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccccc1Oc1ccc(F)cc1 ZINC001235435278 819097483 /nfs/dbraw/zinc/09/74/83/819097483.db2.gz GOKRGOIQMNDDFT-UHFFFAOYSA-N 2 1 288.366 3.399 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)CC1(F)CC[NH2+]CC1 ZINC001235662897 819132398 /nfs/dbraw/zinc/13/23/98/819132398.db2.gz DJKTVHLANXYSIH-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP c1cc([C@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)ccn1 ZINC001235673000 819133383 /nfs/dbraw/zinc/13/33/83/819133383.db2.gz JYAWREAQFDQMBP-KRWDZBQOSA-N 2 1 287.451 3.183 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235675309 819135618 /nfs/dbraw/zinc/13/56/18/819135618.db2.gz VNRVEKUYMYOSRL-MOPGFXCFSA-N 2 1 286.463 3.331 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)[C@H]1C ZINC001235695655 819145818 /nfs/dbraw/zinc/14/58/18/819145818.db2.gz YHKVUQWOXFISGF-RYUDHWBXSA-N 2 1 264.438 3.014 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)[C@@H]1C ZINC001235695657 819145853 /nfs/dbraw/zinc/14/58/53/819145853.db2.gz YHKVUQWOXFISGF-VXGBXAGGSA-N 2 1 264.438 3.014 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CCCC3(C[NH2+]C3)C2)c(C)c1C ZINC001235713707 819148380 /nfs/dbraw/zinc/14/83/80/819148380.db2.gz NKMDLWMOYDMJBV-UHFFFAOYSA-N 2 1 286.463 3.414 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235712023 819148546 /nfs/dbraw/zinc/14/85/46/819148546.db2.gz XZCOCXVFCXTDJZ-DOTOQJQBSA-N 2 1 288.435 3.364 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1OC(F)F ZINC001235716717 819150422 /nfs/dbraw/zinc/15/04/22/819150422.db2.gz HTGBZCMSRUJJCI-UHFFFAOYSA-N 2 1 298.377 3.110 20 0 CGADMP C[Si](C)(C)C[N@@H+](Cc1ccccc1)CC12CC([NH3+])(C1)C2 ZINC001235825650 819177138 /nfs/dbraw/zinc/17/71/38/819177138.db2.gz PIRVIQBWPVXMRL-UHFFFAOYSA-N 2 1 288.511 3.247 20 0 CGADMP CCCC[NH+](CCCC)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235834780 819180353 /nfs/dbraw/zinc/18/03/53/819180353.db2.gz OVLRWIJSLNFNTQ-UONOGXRCSA-N 2 1 276.415 3.379 20 0 CGADMP C[N@H+](CCc1ccc(Cl)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC001235839850 819181816 /nfs/dbraw/zinc/18/18/16/819181816.db2.gz ASUDOVVMPGJXCS-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@@H+](CCc1c(Cl)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235841280 819183746 /nfs/dbraw/zinc/18/37/46/819183746.db2.gz CVVMAGRRXPWNIT-LLVKDONJSA-N 2 1 287.234 3.077 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001235852226 819187052 /nfs/dbraw/zinc/18/70/52/819187052.db2.gz AYJUGCGOKAXWLF-SJORKVTESA-N 2 1 276.468 3.278 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c2ccccc12 ZINC001235892075 819199822 /nfs/dbraw/zinc/19/98/22/819199822.db2.gz LJKZDWUXVSLYGY-HOCLYGCPSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c2ccccc12 ZINC001235892075 819199825 /nfs/dbraw/zinc/19/98/25/819199825.db2.gz LJKZDWUXVSLYGY-HOCLYGCPSA-N 2 1 268.404 3.460 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235919525 819220175 /nfs/dbraw/zinc/22/01/75/819220175.db2.gz YNXHEIRSTNXUSJ-ZDUSSCGKSA-N 2 1 286.341 3.104 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])ccc1Cl ZINC001235926268 819225872 /nfs/dbraw/zinc/22/58/72/819225872.db2.gz VUOVDQCPRIDOFQ-AWEZNQCLSA-N 2 1 266.816 3.216 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001235934804 819230013 /nfs/dbraw/zinc/23/00/13/819230013.db2.gz NPWRRLBPPUWIMM-OAHLLOKOSA-N 2 1 264.388 3.134 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235933925 819231030 /nfs/dbraw/zinc/23/10/30/819231030.db2.gz AKDVUTNDUAZWKB-MJGOQNOKSA-N 2 1 292.426 3.395 20 0 CGADMP COCCC[N@@H+](C[C@@H]1CCC(C)=C[C@@H]1C)C1CC[NH2+]CC1 ZINC001235935932 819232833 /nfs/dbraw/zinc/23/28/33/819232833.db2.gz NAZCGLKQBDFGRK-IRXDYDNUSA-N 2 1 294.483 3.069 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC001235959420 819248444 /nfs/dbraw/zinc/24/84/44/819248444.db2.gz JIAKBYWDDPECAV-BHMZLHOFSA-N 2 1 258.409 3.021 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960451 819249397 /nfs/dbraw/zinc/24/93/97/819249397.db2.gz WAJUPQFQPVAPEN-JONQDZQNSA-N 2 1 250.430 3.038 20 0 CGADMP CCC[N@@H+](CCC[NH2+]C)Cc1cccc(Br)c1 ZINC001235961618 819250063 /nfs/dbraw/zinc/25/00/63/819250063.db2.gz CTDJGRZEKMQSPK-UHFFFAOYSA-N 2 1 299.256 3.271 20 0 CGADMP CCC(CC)[N@@H+](CC)CC1CC2(C1)CC[NH2+]CC2 ZINC001235962922 819250990 /nfs/dbraw/zinc/25/09/90/819250990.db2.gz RHTMBYBADODNND-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235981494 819255850 /nfs/dbraw/zinc/25/58/50/819255850.db2.gz WFGGRDPJGDAQDR-LSDHHAIUSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235981494 819255856 /nfs/dbraw/zinc/25/58/56/819255856.db2.gz WFGGRDPJGDAQDR-LSDHHAIUSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC001235979997 819256599 /nfs/dbraw/zinc/25/65/99/819256599.db2.gz PLJSJVXAZNPJGE-AZUAARDMSA-N 2 1 292.426 3.242 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC001235979998 819257593 /nfs/dbraw/zinc/25/75/93/819257593.db2.gz PLJSJVXAZNPJGE-ICSRJNTNSA-N 2 1 292.426 3.242 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981856 819258980 /nfs/dbraw/zinc/25/89/80/819258980.db2.gz XUXDRFZTTIGSIU-XHSDSOJGSA-N 2 1 250.430 3.182 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235984994 819259076 /nfs/dbraw/zinc/25/90/76/819259076.db2.gz ARDMNDLKPNIZJP-NVXWUHKLSA-N 2 1 284.428 3.338 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235984994 819259078 /nfs/dbraw/zinc/25/90/78/819259078.db2.gz ARDMNDLKPNIZJP-NVXWUHKLSA-N 2 1 284.428 3.338 20 0 CGADMP Nc1cc[nH+]c(-c2cccc(C[NH+]3CCCCC3)c2F)c1 ZINC001236002817 819269598 /nfs/dbraw/zinc/26/95/98/819269598.db2.gz NWQQTGLXHBQOMX-UHFFFAOYSA-N 2 1 285.366 3.456 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060102 819293732 /nfs/dbraw/zinc/29/37/32/819293732.db2.gz ABTMWHNOCCUUPP-RDJZCZTQSA-N 2 1 280.415 3.332 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060102 819293738 /nfs/dbraw/zinc/29/37/38/819293738.db2.gz ABTMWHNOCCUUPP-RDJZCZTQSA-N 2 1 280.415 3.332 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001236066324 819298755 /nfs/dbraw/zinc/29/87/55/819298755.db2.gz HHWFPBTVVWMRAB-OAHLLOKOSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001236071008 819300497 /nfs/dbraw/zinc/30/04/97/819300497.db2.gz DRCKRAMYEJNHPI-AWEZNQCLSA-N 2 1 266.388 3.092 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCc2c3ccccc3oc2C1 ZINC001236086889 819307973 /nfs/dbraw/zinc/30/79/73/819307973.db2.gz VUUNBAWCOWMDBJ-UHFFFAOYSA-N 2 1 272.392 3.310 20 0 CGADMP C[C@@H]([NH3+])C[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001236092729 819310312 /nfs/dbraw/zinc/31/03/12/819310312.db2.gz OYAWLUYTKRUNQP-MRXNPFEDSA-N 2 1 282.431 3.488 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001236092729 819310318 /nfs/dbraw/zinc/31/03/18/819310318.db2.gz OYAWLUYTKRUNQP-MRXNPFEDSA-N 2 1 282.431 3.488 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095361 819313801 /nfs/dbraw/zinc/31/38/01/819313801.db2.gz RZDDKRAGLFZZLG-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095361 819313806 /nfs/dbraw/zinc/31/38/06/819313806.db2.gz RZDDKRAGLFZZLG-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(OC)cc1 ZINC001236102912 819319717 /nfs/dbraw/zinc/31/97/17/819319717.db2.gz SJLNTWRZJKSSPP-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCC[NH3+])c(C)cc1Br ZINC001236141458 819342385 /nfs/dbraw/zinc/34/23/85/819342385.db2.gz GVFOVXXJNVJQQC-UHFFFAOYSA-N 2 1 299.256 3.237 20 0 CGADMP C[N@H+](Cc1ccc(OCC(F)F)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213025 819376359 /nfs/dbraw/zinc/37/63/59/819376359.db2.gz NEPXIDRVGFYDMB-LSDHHAIUSA-N 2 1 298.377 3.032 20 0 CGADMP C[N@@H+](Cc1ccc(OCC(F)F)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213025 819376365 /nfs/dbraw/zinc/37/63/65/819376365.db2.gz NEPXIDRVGFYDMB-LSDHHAIUSA-N 2 1 298.377 3.032 20 0 CGADMP C[N@@H+](Cc1ccc(O)c2ccccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213136 819376717 /nfs/dbraw/zinc/37/67/17/819376717.db2.gz NQFQLPBRUICISF-IRXDYDNUSA-N 2 1 284.403 3.247 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c21 ZINC001236216560 819380716 /nfs/dbraw/zinc/38/07/16/819380716.db2.gz KBVITECBZAVCBM-GOEBONIOSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c21 ZINC001236216560 819380718 /nfs/dbraw/zinc/38/07/18/819380718.db2.gz KBVITECBZAVCBM-GOEBONIOSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236218352 819383809 /nfs/dbraw/zinc/38/38/09/819383809.db2.gz SHUCESRNCYUETQ-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236218352 819383812 /nfs/dbraw/zinc/38/38/12/819383812.db2.gz SHUCESRNCYUETQ-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236217765 819383931 /nfs/dbraw/zinc/38/39/31/819383931.db2.gz QECMGUJSMKJLME-GJZGRUSLSA-N 2 1 266.454 3.402 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236217765 819383937 /nfs/dbraw/zinc/38/39/37/819383937.db2.gz QECMGUJSMKJLME-GJZGRUSLSA-N 2 1 266.454 3.402 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@@H+](C)C2(C)CC[NH2+]CC2)CC1 ZINC001236223447 819389332 /nfs/dbraw/zinc/38/93/32/819389332.db2.gz NSMHQGHCZOJJLY-CABCVRRESA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236225068 819390561 /nfs/dbraw/zinc/39/05/61/819390561.db2.gz YYYGOKPAUNGVCO-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236224464 819391220 /nfs/dbraw/zinc/39/12/20/819391220.db2.gz UQZDUMKNQKVCSL-HAQNSBGRSA-N 2 1 284.806 3.489 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236226427 819392024 /nfs/dbraw/zinc/39/20/24/819392024.db2.gz LHCIMXNQHAOZFL-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP CCCCOc1ccc(C[NH+]2CCC[NH2+]CCC2)cc1 ZINC001236239079 819397839 /nfs/dbraw/zinc/39/78/39/819397839.db2.gz DBLHMCJKINUSKM-UHFFFAOYSA-N 2 1 276.424 3.051 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001236308602 819418473 /nfs/dbraw/zinc/41/84/73/819418473.db2.gz UHMWOQBLZBYDPG-KBXIAJHMSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001236308602 819418476 /nfs/dbraw/zinc/41/84/76/819418476.db2.gz UHMWOQBLZBYDPG-KBXIAJHMSA-N 2 1 286.410 3.132 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314774 819420983 /nfs/dbraw/zinc/42/09/83/819420983.db2.gz HDTDCFGQPTUKSC-CALCHBBNSA-N 2 1 286.463 3.416 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(C)c1Cl ZINC001236320108 819424469 /nfs/dbraw/zinc/42/44/69/819424469.db2.gz BJYHXSTXTYJOFU-IYBDPMFKSA-N 2 1 292.854 3.388 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)cc1Cl ZINC001236407306 819454522 /nfs/dbraw/zinc/45/45/22/819454522.db2.gz CYARHQZSDFWKCV-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP CCc1cccc2c(C[N@@H+](CC)C[C@H]3CC[NH2+]C3)c[nH]c21 ZINC001236408049 819456205 /nfs/dbraw/zinc/45/62/05/819456205.db2.gz KLRBHRIGNFIINL-AWEZNQCLSA-N 2 1 285.435 3.162 20 0 CGADMP CC[N@H+](Cc1cccc2[nH]cc(Cl)c21)C[C@H]1CC[NH2+]C1 ZINC001236408404 819456224 /nfs/dbraw/zinc/45/62/24/819456224.db2.gz LLVBNCGDKZQLCG-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP Cc1c(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cccc1-c1ccccc1 ZINC001236413356 819458497 /nfs/dbraw/zinc/45/84/97/819458497.db2.gz OGHJHHKYLUSAPX-PMOLBWCYSA-N 2 1 292.426 3.312 20 0 CGADMP Cc1c(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cccc1-c1ccccc1 ZINC001236413356 819458500 /nfs/dbraw/zinc/45/85/00/819458500.db2.gz OGHJHHKYLUSAPX-PMOLBWCYSA-N 2 1 292.426 3.312 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236415044 819460866 /nfs/dbraw/zinc/46/08/66/819460866.db2.gz NSGJIVPJCQXQAG-ARFHVFGLSA-N 2 1 284.488 3.420 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](CC1CC1)C1CC[NH2+]CC1 ZINC001236518759 819512289 /nfs/dbraw/zinc/51/22/89/819512289.db2.gz WADQABXLWWOHOX-UHFFFAOYSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236550689 819535404 /nfs/dbraw/zinc/53/54/04/819535404.db2.gz GLNDRNUNCJIZRG-IYARVYRRSA-N 2 1 272.436 3.477 20 0 CGADMP CCC1(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)COC1 ZINC001236565893 819538611 /nfs/dbraw/zinc/53/86/11/819538611.db2.gz RERCNRCDHCNYFP-JCNLHEQBSA-N 2 1 294.483 3.318 20 0 CGADMP CC(C)(CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC001236819377 819606431 /nfs/dbraw/zinc/60/64/31/819606431.db2.gz NDUQSINMHDVMJR-XIRDDKMYSA-N 2 1 272.436 3.023 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236819979 819606587 /nfs/dbraw/zinc/60/65/87/819606587.db2.gz PCSKBXAJLVOXCX-NXOAAHMSSA-N 2 1 296.499 3.277 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC(C)=C[C@@H]1C ZINC001236825893 819608123 /nfs/dbraw/zinc/60/81/23/819608123.db2.gz AYUGCEJUBMKFGZ-BBWFWOEESA-N 2 1 264.457 3.300 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c(F)cccc34)C[C@H]12 ZINC001236825822 819608541 /nfs/dbraw/zinc/60/85/41/819608541.db2.gz ARMSTPSDBWZDCQ-RPVQJOFSSA-N 2 1 284.378 3.148 20 0 CGADMP CCC[N@@H+](CCc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236830346 819611837 /nfs/dbraw/zinc/61/18/37/819611837.db2.gz NHEYUROESDONCS-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP CCC[N@@H+](C[C@H](C)c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236830051 819612037 /nfs/dbraw/zinc/61/20/37/819612037.db2.gz MOUPCDJHLJYMLK-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236834871 819614906 /nfs/dbraw/zinc/61/49/06/819614906.db2.gz JHWVHEGXVHDXNY-QGZVFWFLSA-N 2 1 260.425 3.125 20 0 CGADMP CCC[N@@H+](Cc1cccc(Cl)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236836470 819617316 /nfs/dbraw/zinc/61/73/16/819617316.db2.gz VVKVOXQACVWXGU-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236836470 819617318 /nfs/dbraw/zinc/61/73/18/819617318.db2.gz VVKVOXQACVWXGU-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236841898 819618567 /nfs/dbraw/zinc/61/85/67/819618567.db2.gz AQQYGGKLOYZYPX-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236841898 819618570 /nfs/dbraw/zinc/61/85/70/819618570.db2.gz AQQYGGKLOYZYPX-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)CCCc1ccc(Cl)c(Cl)c1 ZINC001236885250 819630330 /nfs/dbraw/zinc/63/03/30/819630330.db2.gz BZVQGCJXFQMZCN-JTQLQIEISA-N 2 1 275.223 3.205 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1ccc(Cl)c(Cl)c1 ZINC001236885250 819630333 /nfs/dbraw/zinc/63/03/33/819630333.db2.gz BZVQGCJXFQMZCN-JTQLQIEISA-N 2 1 275.223 3.205 20 0 CGADMP CO[C@@H]1CN(C[C@@H]2CC=C(CCC=C(C)C)CC2)C[C@@H]1[NH3+] ZINC001237101315 819667449 /nfs/dbraw/zinc/66/74/49/819667449.db2.gz BMXARLIXAFQKCX-FGTMMUONSA-N 2 1 292.467 3.117 20 0 CGADMP Cc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237144725 819677824 /nfs/dbraw/zinc/67/78/24/819677824.db2.gz LIMBPRFRLDAXQC-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237144725 819677829 /nfs/dbraw/zinc/67/78/29/819677829.db2.gz LIMBPRFRLDAXQC-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1OC=CC1=S ZINC001237183451 819690283 /nfs/dbraw/zinc/69/02/83/819690283.db2.gz IXZASWBVLPDOLR-UONOGXRCSA-N 2 1 294.464 3.407 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1OC=CC1=S ZINC001237183451 819690288 /nfs/dbraw/zinc/69/02/88/819690288.db2.gz IXZASWBVLPDOLR-UONOGXRCSA-N 2 1 294.464 3.407 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1OC=CC1=S ZINC001237183451 819690292 /nfs/dbraw/zinc/69/02/92/819690292.db2.gz IXZASWBVLPDOLR-UONOGXRCSA-N 2 1 294.464 3.407 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c(C)cc(F)cc3C)C[C@H]2C1 ZINC001237327153 819728203 /nfs/dbraw/zinc/72/82/03/819728203.db2.gz ZMHVHJJJRVLBCW-HZPDHXFCSA-N 2 1 290.426 3.216 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237404252 819744598 /nfs/dbraw/zinc/74/45/98/819744598.db2.gz NMWCUBUNNXFBDV-FUHWJXTLSA-N 2 1 272.436 3.384 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237411291 819747318 /nfs/dbraw/zinc/74/73/18/819747318.db2.gz FFESNUYJZOOAAU-ZBFHGGJFSA-N 2 1 270.376 3.007 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237414961 819747494 /nfs/dbraw/zinc/74/74/94/819747494.db2.gz NQFYOJCTRKZWGD-WMZOPIPTSA-N 2 1 272.436 3.131 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3nccc(C)c23)CC1 ZINC001237634982 819793476 /nfs/dbraw/zinc/79/34/76/819793476.db2.gz DWGDBKLKSCNHAO-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3nccc(C)c23)CC1 ZINC001237634982 819793498 /nfs/dbraw/zinc/79/34/98/819793498.db2.gz DWGDBKLKSCNHAO-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)CCF)cc21 ZINC001237879472 819864862 /nfs/dbraw/zinc/86/48/62/819864862.db2.gz MHRMEOJVYRGTHE-UHFFFAOYSA-N 2 1 262.372 3.089 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)CCF)cc21 ZINC001237879472 819864874 /nfs/dbraw/zinc/86/48/74/819864874.db2.gz MHRMEOJVYRGTHE-UHFFFAOYSA-N 2 1 262.372 3.089 20 0 CGADMP CCOc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1C ZINC001238070269 819924692 /nfs/dbraw/zinc/92/46/92/819924692.db2.gz HUQYSGDESMBPMH-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP CCOc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1C ZINC001238070269 819924695 /nfs/dbraw/zinc/92/46/95/819924695.db2.gz HUQYSGDESMBPMH-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP c1ccc(C[N@@H+]2CCC=C(c3[nH+]ccc4c3CCN4)C2)cc1 ZINC001240384742 821009197 /nfs/dbraw/zinc/00/91/97/821009197.db2.gz RCPZGVCQCPWJQI-UHFFFAOYSA-N 2 1 291.398 3.339 20 0 CGADMP c1ccc(C[N@H+]2CCC=C(c3[nH+]ccc4c3CCN4)C2)cc1 ZINC001240384742 821009207 /nfs/dbraw/zinc/00/92/07/821009207.db2.gz RCPZGVCQCPWJQI-UHFFFAOYSA-N 2 1 291.398 3.339 20 0 CGADMP C[N@@H+]1CC=C(c2ccc(F)c(C[NH+]3CCCC3)c2)CC1 ZINC001241332608 821739395 /nfs/dbraw/zinc/73/93/95/821739395.db2.gz MDJPKKUSKXWTIZ-UHFFFAOYSA-N 2 1 274.383 3.140 20 0 CGADMP CC[NH+](CC)Cc1cc(C2=CC[N@@H+](C)CC2)ccc1F ZINC001241332771 821739709 /nfs/dbraw/zinc/73/97/09/821739709.db2.gz OGYDWUMCGDHZFK-UHFFFAOYSA-N 2 1 276.399 3.386 20 0 CGADMP Cc1cccnc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC001342118037 936459973 /nfs/dbraw/zinc/45/99/73/936459973.db2.gz HCFVLKRKADFISZ-INIZCTEOSA-N 2 1 275.440 3.134 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC001349636497 936955467 /nfs/dbraw/zinc/95/54/67/936955467.db2.gz KPEORIARXBTAEY-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncc(C)cc2C1 ZINC001167841791 927030492 /nfs/dbraw/zinc/03/04/92/927030492.db2.gz QWWXSINOEYQHLK-MRXNPFEDSA-N 2 1 289.467 3.259 20 0 CGADMP C[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)CC(C)(C)C ZINC001473345858 937186609 /nfs/dbraw/zinc/18/66/09/937186609.db2.gz NKABAKAHKCJXKF-MRXNPFEDSA-N 2 1 297.531 3.017 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172831345 928225756 /nfs/dbraw/zinc/22/57/56/928225756.db2.gz NSBVCMUASIUVAR-LJQANCHMSA-N 2 1 286.463 3.268 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172831345 928225768 /nfs/dbraw/zinc/22/57/68/928225768.db2.gz NSBVCMUASIUVAR-LJQANCHMSA-N 2 1 286.463 3.268 20 0 CGADMP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC001459538131 937491270 /nfs/dbraw/zinc/49/12/70/937491270.db2.gz FFBCLHWVOZLPMB-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP C[NH+](CCC1=CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC001459538131 937491271 /nfs/dbraw/zinc/49/12/71/937491271.db2.gz FFBCLHWVOZLPMB-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP C[NH+](CCC1=CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001459538131 937491272 /nfs/dbraw/zinc/49/12/72/937491272.db2.gz FFBCLHWVOZLPMB-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP CC(C)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001459904294 937505590 /nfs/dbraw/zinc/50/55/90/937505590.db2.gz VXSOKSZDQDMIOI-VQFNDLOPSA-N 2 1 274.452 3.389 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001460306729 937525994 /nfs/dbraw/zinc/52/59/94/937525994.db2.gz YSWPKVWCJOVDOD-UHFFFAOYSA-N 2 1 295.430 3.411 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CC3CCCCCC3)C[C@]2(C)C1 ZINC001460559529 937534311 /nfs/dbraw/zinc/53/43/11/937534311.db2.gz IQEVGGFUQZHQIZ-IRXDYDNUSA-N 2 1 264.457 3.230 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC001460558190 937534852 /nfs/dbraw/zinc/53/48/52/937534852.db2.gz GKOGOXQVRCRICP-OALUTQOASA-N 2 1 286.463 3.413 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001460563641 937535292 /nfs/dbraw/zinc/53/52/92/937535292.db2.gz XZAIKEXSDUDOCK-OIISXLGYSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001460563641 937535293 /nfs/dbraw/zinc/53/52/93/937535293.db2.gz XZAIKEXSDUDOCK-OIISXLGYSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001460563641 937535295 /nfs/dbraw/zinc/53/52/95/937535295.db2.gz XZAIKEXSDUDOCK-OIISXLGYSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001460563641 937535297 /nfs/dbraw/zinc/53/52/97/937535297.db2.gz XZAIKEXSDUDOCK-OIISXLGYSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cccc(C)c1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001461287261 937574636 /nfs/dbraw/zinc/57/46/36/937574636.db2.gz QWFNBVWALOXAEL-UHFFFAOYSA-N 2 1 283.419 3.097 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccc1NC ZINC001461877715 937602833 /nfs/dbraw/zinc/60/28/33/937602833.db2.gz UUVYJHJWQJCGEQ-SJORKVTESA-N 2 1 287.451 3.095 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C)CCCC2)C[C@@H]1C ZINC001461862255 937603220 /nfs/dbraw/zinc/60/32/20/937603220.db2.gz SFZLSVJVASREAX-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C)CCCC2)C[C@@H]1C ZINC001461862255 937603221 /nfs/dbraw/zinc/60/32/21/937603221.db2.gz SFZLSVJVASREAX-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP CCc1cc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc(C)[nH+]1 ZINC001306932994 932897233 /nfs/dbraw/zinc/89/72/33/932897233.db2.gz UGJCLQPNFSJLKY-ZIAGYGMSSA-N 2 1 290.455 3.127 20 0 CGADMP CC(C)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001462519500 937646695 /nfs/dbraw/zinc/64/66/95/937646695.db2.gz QWSQOWINPKZJAG-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001462519500 937646696 /nfs/dbraw/zinc/64/66/96/937646696.db2.gz QWSQOWINPKZJAG-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001307734946 932993729 /nfs/dbraw/zinc/99/37/29/932993729.db2.gz AVAWUOMKFAXGPP-YTQUADARSA-N 2 1 286.463 3.485 20 0 CGADMP CC(C)C[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307734946 932993732 /nfs/dbraw/zinc/99/37/32/932993732.db2.gz AVAWUOMKFAXGPP-YTQUADARSA-N 2 1 286.463 3.485 20 0 CGADMP CC(C)C[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307734946 932993735 /nfs/dbraw/zinc/99/37/35/932993735.db2.gz AVAWUOMKFAXGPP-YTQUADARSA-N 2 1 286.463 3.485 20 0 CGADMP CCCCC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC001307949544 933025376 /nfs/dbraw/zinc/02/53/76/933025376.db2.gz HFQBSJZRNPVNMB-IRXDYDNUSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC001307949544 933025378 /nfs/dbraw/zinc/02/53/78/933025378.db2.gz HFQBSJZRNPVNMB-IRXDYDNUSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001307949544 933025382 /nfs/dbraw/zinc/02/53/82/933025382.db2.gz HFQBSJZRNPVNMB-IRXDYDNUSA-N 2 1 284.488 3.122 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC001307973535 933029661 /nfs/dbraw/zinc/02/96/61/933029661.db2.gz FIFHSUCYKUYSNQ-HQQUCIOCSA-N 2 1 252.446 3.397 20 0 CGADMP C[C@H]1CCC[C@@H](CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001308121739 933053953 /nfs/dbraw/zinc/05/39/53/933053953.db2.gz RIDGVTOYTMUXQG-NXOAAHMSSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H]1CCC[C@@H](CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001308121739 933053957 /nfs/dbraw/zinc/05/39/57/933053957.db2.gz RIDGVTOYTMUXQG-NXOAAHMSSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H]1CCC[C@@H](CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC001308121739 933053963 /nfs/dbraw/zinc/05/39/63/933053963.db2.gz RIDGVTOYTMUXQG-NXOAAHMSSA-N 2 1 264.457 3.086 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC001308232268 933076970 /nfs/dbraw/zinc/07/69/70/933076970.db2.gz QYAPGORJPADCSP-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC001308232268 933076978 /nfs/dbraw/zinc/07/69/78/933076978.db2.gz QYAPGORJPADCSP-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccccc2OC)C1 ZINC001308231788 933077249 /nfs/dbraw/zinc/07/72/49/933077249.db2.gz MIHIATVOOLRGPG-DIEDAUMRSA-N 2 1 288.435 3.030 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001308245592 933080160 /nfs/dbraw/zinc/08/01/60/933080160.db2.gz YWDUJUPGMQCUEB-YJNKXOJESA-N 2 1 270.486 3.123 20 0 CGADMP CCCC1CCC(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001308256392 933083133 /nfs/dbraw/zinc/08/31/33/933083133.db2.gz NEOJRJYMVYVKMN-FOIPXRHGSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC1CCC(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001308256392 933083139 /nfs/dbraw/zinc/08/31/39/933083139.db2.gz NEOJRJYMVYVKMN-FOIPXRHGSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccccc1Cl ZINC001308282065 933087553 /nfs/dbraw/zinc/08/75/53/933087553.db2.gz CYWMAODPTCNWSB-UHFFFAOYSA-N 2 1 277.799 3.415 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308434470 933110017 /nfs/dbraw/zinc/11/00/17/933110017.db2.gz XCEMHUUBZLTYPL-QDMKHBRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308434470 933110018 /nfs/dbraw/zinc/11/00/18/933110018.db2.gz XCEMHUUBZLTYPL-QDMKHBRRSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC3CCC2CC3)CC1(C)C ZINC001308445483 933112741 /nfs/dbraw/zinc/11/27/41/933112741.db2.gz NDHJILNQTGJBAL-FJBKBRRZSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001308598332 933140134 /nfs/dbraw/zinc/14/01/34/933140134.db2.gz KKBBGIZMQLMONQ-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCc1ccc(F)c(F)c1 ZINC001308745898 933168236 /nfs/dbraw/zinc/16/82/36/933168236.db2.gz HWEYRJVXJXXLTK-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCc1ccc(F)c(F)c1 ZINC001308745898 933168239 /nfs/dbraw/zinc/16/82/39/933168239.db2.gz HWEYRJVXJXXLTK-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308745898 933168240 /nfs/dbraw/zinc/16/82/40/933168240.db2.gz HWEYRJVXJXXLTK-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308745898 933168244 /nfs/dbraw/zinc/16/82/44/933168244.db2.gz HWEYRJVXJXXLTK-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001308756038 933171394 /nfs/dbraw/zinc/17/13/94/933171394.db2.gz XHMOJBJDSYLNCR-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1occc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001308911021 933201978 /nfs/dbraw/zinc/20/19/78/933201978.db2.gz WINXSUXJMZNMOB-UHFFFAOYSA-N 2 1 278.440 3.388 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC001319282202 933852255 /nfs/dbraw/zinc/85/22/55/933852255.db2.gz HNDZNQOBFLUKNV-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC001319282202 933852262 /nfs/dbraw/zinc/85/22/62/933852262.db2.gz HNDZNQOBFLUKNV-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC001319838122 933942999 /nfs/dbraw/zinc/94/29/99/933942999.db2.gz ZGFFRNQUKBRTDY-CYBMUJFWSA-N 2 1 278.827 3.123 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2c(F)cccc2Cl)CC[N@H+]1C ZINC001320578986 934068359 /nfs/dbraw/zinc/06/83/59/934068359.db2.gz ZNCHDUIUJHWPEO-NWDGAFQWSA-N 2 1 284.806 3.094 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485284 934401822 /nfs/dbraw/zinc/40/18/22/934401822.db2.gz GMMMMKWQTWWGID-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485284 934401826 /nfs/dbraw/zinc/40/18/26/934401826.db2.gz GMMMMKWQTWWGID-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485284 934401832 /nfs/dbraw/zinc/40/18/32/934401832.db2.gz GMMMMKWQTWWGID-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485284 934401839 /nfs/dbraw/zinc/40/18/39/934401839.db2.gz GMMMMKWQTWWGID-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC001323977236 934445289 /nfs/dbraw/zinc/44/52/89/934445289.db2.gz NBJRLMPNWZFSRU-WMLDXEAASA-N 2 1 288.435 3.004 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366018 934493454 /nfs/dbraw/zinc/49/34/54/934493454.db2.gz UUIMIMOTEHAWJB-HOCLYGCPSA-N 2 1 275.440 3.128 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407006 934498172 /nfs/dbraw/zinc/49/81/72/934498172.db2.gz HQKNXLIPVPFJIQ-GDBMZVCRSA-N 2 1 292.471 3.155 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407006 934498180 /nfs/dbraw/zinc/49/81/80/934498180.db2.gz HQKNXLIPVPFJIQ-GDBMZVCRSA-N 2 1 292.471 3.155 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cc(F)cc(F)c1 ZINC001328493388 935143101 /nfs/dbraw/zinc/14/31/01/935143101.db2.gz STQJHXYZBYYZCZ-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3ncccc3C)CC2)[nH+]c1C ZINC001331230405 935359512 /nfs/dbraw/zinc/35/95/12/935359512.db2.gz UYVJDPSDNLBENF-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001333843533 936070612 /nfs/dbraw/zinc/07/06/12/936070612.db2.gz XKCOQEOFUAPSRD-ZNMIVQPWSA-N 2 1 276.424 3.004 20 0 CGADMP FC(F)(F)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001334873493 936120000 /nfs/dbraw/zinc/12/00/00/936120000.db2.gz UKEIBDDHGHTFFI-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP FC(F)(F)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001334873493 936120002 /nfs/dbraw/zinc/12/00/02/936120002.db2.gz UKEIBDDHGHTFFI-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2C1 ZINC001335150096 936132197 /nfs/dbraw/zinc/13/21/97/936132197.db2.gz PKKXQCMYDIPVLQ-OKZBNKHCSA-N 2 1 297.446 3.330 20 0 CGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001336944524 936228799 /nfs/dbraw/zinc/22/87/99/936228799.db2.gz CBQNFNPJCNEFMC-UHFFFAOYSA-N 2 1 264.438 3.022 20 0 CGADMP CNc1ccccc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC001473917806 937829816 /nfs/dbraw/zinc/82/98/16/937829816.db2.gz SEGNHLIKSDMGOJ-UHFFFAOYSA-N 2 1 297.446 3.340 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001473979536 937833607 /nfs/dbraw/zinc/83/36/07/937833607.db2.gz WZVSDDHQTMRQNW-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001473986535 937833751 /nfs/dbraw/zinc/83/37/51/937833751.db2.gz GLKFTFNKKNFHHP-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCCC2)CC1(C)C ZINC001474301185 937849167 /nfs/dbraw/zinc/84/91/67/937849167.db2.gz HAPUONJDIMMIHC-JYJNAYRXSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317660 937850820 /nfs/dbraw/zinc/85/08/20/937850820.db2.gz IWKJPHRYHUMKPY-QAPCUYQASA-N 2 1 299.462 3.340 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317660 937850822 /nfs/dbraw/zinc/85/08/22/937850822.db2.gz IWKJPHRYHUMKPY-QAPCUYQASA-N 2 1 299.462 3.340 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317660 937850824 /nfs/dbraw/zinc/85/08/24/937850824.db2.gz IWKJPHRYHUMKPY-QAPCUYQASA-N 2 1 299.462 3.340 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317660 937850826 /nfs/dbraw/zinc/85/08/26/937850826.db2.gz IWKJPHRYHUMKPY-QAPCUYQASA-N 2 1 299.462 3.340 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC001474320780 937851598 /nfs/dbraw/zinc/85/15/98/937851598.db2.gz QFLVZTNLPZYEJR-MOPGFXCFSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC001474320780 937851600 /nfs/dbraw/zinc/85/16/00/937851600.db2.gz QFLVZTNLPZYEJR-MOPGFXCFSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC001474320780 937851602 /nfs/dbraw/zinc/85/16/02/937851602.db2.gz QFLVZTNLPZYEJR-MOPGFXCFSA-N 2 1 286.463 3.262 20 0 CGADMP CC(C)C1(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC001474348469 937853410 /nfs/dbraw/zinc/85/34/10/937853410.db2.gz ITMPHOSLRCVJRB-INIZCTEOSA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)C1(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC001474348469 937853412 /nfs/dbraw/zinc/85/34/12/937853412.db2.gz ITMPHOSLRCVJRB-INIZCTEOSA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)C1(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC001474348469 937853413 /nfs/dbraw/zinc/85/34/13/937853413.db2.gz ITMPHOSLRCVJRB-INIZCTEOSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001474509316 937863986 /nfs/dbraw/zinc/86/39/86/937863986.db2.gz RVPRXYCVVAQJLX-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001474509316 937863988 /nfs/dbraw/zinc/86/39/88/937863988.db2.gz RVPRXYCVVAQJLX-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001474612464 937870097 /nfs/dbraw/zinc/87/00/97/937870097.db2.gz IWLPFIKLMLJKCK-HNNXBMFYSA-N 2 1 280.431 3.324 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc2c1NCCC2 ZINC001474612343 937870242 /nfs/dbraw/zinc/87/02/42/937870242.db2.gz GMSNMLVBPMELGX-UHFFFAOYSA-N 2 1 289.467 3.112 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc2c1NCCC2 ZINC001474612343 937870244 /nfs/dbraw/zinc/87/02/44/937870244.db2.gz GMSNMLVBPMELGX-UHFFFAOYSA-N 2 1 289.467 3.112 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C3CCC3)C2)CC1 ZINC001474634177 937872089 /nfs/dbraw/zinc/87/20/89/937872089.db2.gz BMQWMDARAYQAIN-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2cc(C)ccc2NC)CC1 ZINC001474657193 937873070 /nfs/dbraw/zinc/87/30/70/937873070.db2.gz WNYSYDCKSVZYOS-UHFFFAOYSA-N 2 1 289.467 3.343 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001549035243 938154652 /nfs/dbraw/zinc/15/46/52/938154652.db2.gz JJIGEPOCUVVAJK-JWHDQAAXSA-N 2 1 286.463 3.356 20 0 CGADMP FC1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001552080739 938189935 /nfs/dbraw/zinc/18/99/35/938189935.db2.gz XGAUAZGEUKFJDO-BACDZXNISA-N 2 1 276.399 3.350 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552412153 938191829 /nfs/dbraw/zinc/19/18/29/938191829.db2.gz HJGOEPOWQSSWBN-BQFCYCMXSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)[C@H]1CCC[NH3+] ZINC001552929067 938195236 /nfs/dbraw/zinc/19/52/36/938195236.db2.gz RBBQRKFJMPDPKJ-IKGGRYGDSA-N 2 1 294.483 3.175 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC001560155912 938245464 /nfs/dbraw/zinc/24/54/64/938245464.db2.gz XSZZBJTUXKKYMI-LESCRADOSA-N 2 1 285.435 3.028 20 0 CGADMP C[C@H](C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)C(C)(C)C ZINC001560238144 938248535 /nfs/dbraw/zinc/24/85/35/938248535.db2.gz JHQKIFCKFPPPQE-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H](C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3)C(C)(C)C ZINC001560238144 938248536 /nfs/dbraw/zinc/24/85/36/938248536.db2.gz JHQKIFCKFPPPQE-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H](C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3)C(C)(C)C ZINC001560238144 938248537 /nfs/dbraw/zinc/24/85/37/938248537.db2.gz JHQKIFCKFPPPQE-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001560289106 938251312 /nfs/dbraw/zinc/25/13/12/938251312.db2.gz VGRLVKVDGMUSEP-DUQPFJRNSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001560289105 938251473 /nfs/dbraw/zinc/25/14/73/938251473.db2.gz VGRLVKVDGMUSEP-CWQOZTLDSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001560289105 938251474 /nfs/dbraw/zinc/25/14/74/938251474.db2.gz VGRLVKVDGMUSEP-CWQOZTLDSA-N 2 1 296.499 3.148 20 0 CGADMP COC[C@H](C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001560298227 938251630 /nfs/dbraw/zinc/25/16/30/938251630.db2.gz XCCGGVQZTZMIMG-MRXNPFEDSA-N 2 1 292.467 3.017 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(CC)CC1 ZINC001560465505 938259411 /nfs/dbraw/zinc/25/94/11/938259411.db2.gz WEFDLKQMAGLAFK-GPANFISMSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(CC)CC1 ZINC001560465505 938259412 /nfs/dbraw/zinc/25/94/12/938259412.db2.gz WEFDLKQMAGLAFK-GPANFISMSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001561053570 938292296 /nfs/dbraw/zinc/29/22/96/938292296.db2.gz XFCUFCURQBZHOO-UVPYHEFZSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1nc2cc(C[NH2+]C3CC[NH+](C(C)C)CC3)ccc2o1 ZINC001257205220 960426755 /nfs/dbraw/zinc/42/67/55/960426755.db2.gz IGYLIONZSSXELX-UHFFFAOYSA-N 2 1 287.407 3.099 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)c1ccc(F)cc1 ZINC001575472871 960467357 /nfs/dbraw/zinc/46/73/57/960467357.db2.gz QLYUMYTWVOKXLV-STQMWFEESA-N 2 1 292.320 3.392 20 0 CGADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H]([NH3+])C(C)C ZINC001574979594 962343582 /nfs/dbraw/zinc/34/35/82/962343582.db2.gz JVYOWQWNPSYKQJ-CEFACKQISA-N 2 1 298.377 3.264 20 0 CGADMP CC(C)(C)[NH2+]CC[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC001575150218 962347777 /nfs/dbraw/zinc/34/77/77/962347777.db2.gz PTCCQVBTMJISAX-MRXNPFEDSA-N 2 1 260.425 3.158 20 0 CGADMP CC(C)c1ccc(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)cc1 ZINC001575854367 962418961 /nfs/dbraw/zinc/41/89/61/962418961.db2.gz MDKFKJNSAJVHBV-ZDUSSCGKSA-N 2 1 274.330 3.179 20 0 CGADMP C[C@](C[NH3+])([NH2+]CCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001575976234 962426439 /nfs/dbraw/zinc/42/64/39/962426439.db2.gz UXTDDYMFNOZRML-CQSZACIVSA-N 2 1 287.234 3.253 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC001576056827 962427523 /nfs/dbraw/zinc/42/75/23/962427523.db2.gz NUNRZGCFQYDDNX-BLLLJJGKSA-N 2 1 280.843 3.378 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC001576120615 962435631 /nfs/dbraw/zinc/43/56/31/962435631.db2.gz WUTLPOSGZROPAH-ONGXEEELSA-N 2 1 295.839 3.119 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC001576120615 962435636 /nfs/dbraw/zinc/43/56/36/962435636.db2.gz WUTLPOSGZROPAH-ONGXEEELSA-N 2 1 295.839 3.119 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001576117311 962440575 /nfs/dbraw/zinc/44/05/75/962440575.db2.gz MISJQDWPFSSYRA-OEAJRASXSA-N 2 1 294.389 3.095 20 0 CGADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)[NH2+]C1 ZINC001576421467 962454896 /nfs/dbraw/zinc/45/48/96/962454896.db2.gz LPNOKNMKZTWNIJ-UONOGXRCSA-N 2 1 250.430 3.077 20 0 CGADMP CC1(C)C[N@@H+](Cc2cccc(C[NH3+])c2)Cc2ccccc2O1 ZINC001576457990 962463878 /nfs/dbraw/zinc/46/38/78/962463878.db2.gz SAILWSBQOFPVDZ-UHFFFAOYSA-N 2 1 296.414 3.319 20 0 CGADMP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1C[NH3+] ZINC001576802514 962492663 /nfs/dbraw/zinc/49/26/63/962492663.db2.gz YIAGXWOPYDWSQF-GOEBONIOSA-N 2 1 252.446 3.264 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C)c(Br)c1 ZINC001577109579 962506166 /nfs/dbraw/zinc/50/61/66/962506166.db2.gz KLZWNEJWKSZXOD-UHFFFAOYSA-N 2 1 299.256 3.365 20 0 CGADMP CCC(CC)(C[NH3+])[NH2+]CCc1ccc(F)cc1Cl ZINC001577058662 962511145 /nfs/dbraw/zinc/51/11/45/962511145.db2.gz AZMGVEVJWPXCLM-UHFFFAOYSA-N 2 1 272.795 3.129 20 0 CGADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001577254463 962518791 /nfs/dbraw/zinc/51/87/91/962518791.db2.gz LIUPQDQHFMPLCW-GXTWGEPZSA-N 2 1 293.480 3.189 20 0 CGADMP CCC[C@@H](C[NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC001577357917 962525191 /nfs/dbraw/zinc/52/51/91/962525191.db2.gz KLHIQDJRIIRSKJ-JKSUJKDBSA-N 2 1 260.425 3.158 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1C ZINC001577713033 962569474 /nfs/dbraw/zinc/56/94/74/962569474.db2.gz JYZCSVQCBOQWGE-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001578266539 962586101 /nfs/dbraw/zinc/58/61/01/962586101.db2.gz KUKIXJPMXSKVRM-KBRIMQKVSA-N 2 1 290.426 3.254 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1Cl ZINC001579601386 962634083 /nfs/dbraw/zinc/63/40/83/962634083.db2.gz PXMBZCVUBRVTPA-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CCC2([NH3+])CCOCC2)c(C)c1 ZINC001579667786 962657756 /nfs/dbraw/zinc/65/77/56/962657756.db2.gz RUXGLPKBUQESDS-MRXNPFEDSA-N 2 1 290.451 3.194 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001580033257 962689742 /nfs/dbraw/zinc/68/97/42/962689742.db2.gz FAQJGTIEGNQUJK-BZSNNMDCSA-N 2 1 288.410 3.147 20 0 CGADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001580024063 962690700 /nfs/dbraw/zinc/69/07/00/962690700.db2.gz OOWODHOLVDAXAO-DGXTUMSLSA-N 2 1 298.421 3.132 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)C12CCC2 ZINC001580165967 962692924 /nfs/dbraw/zinc/69/29/24/962692924.db2.gz VLBABGLJKOPCAO-KBPBESRZSA-N 2 1 291.464 3.160 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C12CCC2 ZINC001580162805 962697985 /nfs/dbraw/zinc/69/79/85/962697985.db2.gz GAGNGIOOFIQUJC-CHWSQXEVSA-N 2 1 285.218 3.353 20 0 CGADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CCCC2(CCC2)O1 ZINC001580297548 962716225 /nfs/dbraw/zinc/71/62/25/962716225.db2.gz XQCSGWDDNMKSMU-KRWDZBQOSA-N 2 1 294.483 3.319 20 0 CGADMP c1c2cccnc2oc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580896744 962739589 /nfs/dbraw/zinc/73/95/89/962739589.db2.gz PKBYFJJFMXOCLN-HZPDHXFCSA-N 2 1 299.418 3.039 20 0 CGADMP c1ccc(CSCCC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001580893241 962742785 /nfs/dbraw/zinc/74/27/85/962742785.db2.gz YLVYTMAXKMSWIS-QGZVFWFLSA-N 2 1 290.476 3.138 20 0 CGADMP c1ccc(CSCCC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001580893241 962742802 /nfs/dbraw/zinc/74/28/02/962742802.db2.gz YLVYTMAXKMSWIS-QGZVFWFLSA-N 2 1 290.476 3.138 20 0 CGADMP c1c(CNc2cccc(C3CC3)[nH+]2)sc2c1C[NH2+]CC2 ZINC001580891121 962743596 /nfs/dbraw/zinc/74/35/96/962743596.db2.gz RKCLYJDLYHDMGL-UHFFFAOYSA-N 2 1 285.416 3.278 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)C1CCC1 ZINC000651211033 398216445 /nfs/dbraw/zinc/21/64/45/398216445.db2.gz VPTDVBUHFHOIET-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621402122 349520739 /nfs/dbraw/zinc/52/07/39/349520739.db2.gz TZFDGESXKXXPPO-CQSZACIVSA-N 2 1 285.382 3.385 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2=CCCOC2)cc1 ZINC000127814411 187334280 /nfs/dbraw/zinc/33/42/80/187334280.db2.gz WTHKFKQWEKZCFQ-AWEZNQCLSA-N 2 1 297.402 3.178 20 0 CGADMP C[N@@H+](CCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000125274013 187176912 /nfs/dbraw/zinc/17/69/12/187176912.db2.gz JKWHWIYGDWFXBO-XYPWUTKMSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@]2(C)CC)C1 ZINC000651692806 398270289 /nfs/dbraw/zinc/27/02/89/398270289.db2.gz RVJXWQYEQYBWOI-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000621784058 349586430 /nfs/dbraw/zinc/58/64/30/349586430.db2.gz JAKGDHXLGATLDG-XZJROXQQSA-N 2 1 276.811 3.141 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000621784058 349586434 /nfs/dbraw/zinc/58/64/34/349586434.db2.gz JAKGDHXLGATLDG-XZJROXQQSA-N 2 1 276.811 3.141 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651705696 398272052 /nfs/dbraw/zinc/27/20/52/398272052.db2.gz BTOVTIYAMOQWHS-AWEZNQCLSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651705696 398272054 /nfs/dbraw/zinc/27/20/54/398272054.db2.gz BTOVTIYAMOQWHS-AWEZNQCLSA-N 2 1 287.407 3.038 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000651741413 398279342 /nfs/dbraw/zinc/27/93/42/398279342.db2.gz JGRYUANGXCUZER-IRXDYDNUSA-N 2 1 298.515 3.395 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC000651785946 398287282 /nfs/dbraw/zinc/28/72/82/398287282.db2.gz ADZHKFUXWSLMIJ-QGZVFWFLSA-N 2 1 272.436 3.091 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000651808427 398290573 /nfs/dbraw/zinc/29/05/73/398290573.db2.gz QRCQGEPDDQQFLW-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCCC[C@@H]2C)CCCO1 ZINC000651786291 398288020 /nfs/dbraw/zinc/28/80/20/398288020.db2.gz REAOPWOLOCHQTE-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCCC[C@@H]2C)CCCO1 ZINC000651786291 398288022 /nfs/dbraw/zinc/28/80/22/398288022.db2.gz REAOPWOLOCHQTE-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CC1CC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000622044324 349622900 /nfs/dbraw/zinc/62/29/00/349622900.db2.gz AUSKRIHSLCNCPD-LCSXWQTCSA-N 2 1 258.409 3.115 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc2cnccc2o1 ZINC000651808745 398290742 /nfs/dbraw/zinc/29/07/42/398290742.db2.gz CIDZKGCJGHMCQS-UHFFFAOYSA-N 2 1 289.423 3.382 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc2cnccc2o1 ZINC000651808745 398290743 /nfs/dbraw/zinc/29/07/43/398290743.db2.gz CIDZKGCJGHMCQS-UHFFFAOYSA-N 2 1 289.423 3.382 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000651865912 398298819 /nfs/dbraw/zinc/29/88/19/398298819.db2.gz MJWUWTMTNYOWNQ-UHFFFAOYSA-N 2 1 295.496 3.478 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000651865912 398298821 /nfs/dbraw/zinc/29/88/21/398298821.db2.gz MJWUWTMTNYOWNQ-UHFFFAOYSA-N 2 1 295.496 3.478 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2cnccc2c1 ZINC000651865965 398299112 /nfs/dbraw/zinc/29/91/12/398299112.db2.gz OMPLWKFMMWCNFK-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337988866 214346706 /nfs/dbraw/zinc/34/67/06/214346706.db2.gz OSGCWGPESLBQGD-ZNMIVQPWSA-N 2 1 258.425 3.225 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337988866 214346708 /nfs/dbraw/zinc/34/67/08/214346708.db2.gz OSGCWGPESLBQGD-ZNMIVQPWSA-N 2 1 258.425 3.225 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[NH+]1CCCC1 ZINC000337996578 214351809 /nfs/dbraw/zinc/35/18/09/214351809.db2.gz PXLZAKRFJCSXIO-ULQDDVLXSA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1F ZINC000423523284 529598674 /nfs/dbraw/zinc/59/86/74/529598674.db2.gz IDPWEORPEYFCAC-HNNXBMFYSA-N 2 1 268.351 3.148 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000361907673 282209666 /nfs/dbraw/zinc/20/96/66/282209666.db2.gz YSRHRGNNZSSLPK-IAGOWNOFSA-N 2 1 283.419 3.363 20 0 CGADMP C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337593 349781832 /nfs/dbraw/zinc/78/18/32/349781832.db2.gz PYBDXQAOWJRMCG-DGCLKSJQSA-N 2 1 282.378 3.488 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)cn1 ZINC000352683141 529617818 /nfs/dbraw/zinc/61/78/18/529617818.db2.gz JEPNRGYFVLOHAW-WFASDCNBSA-N 2 1 290.386 3.103 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1cc(Cl)ccc1OC ZINC000423267439 529618016 /nfs/dbraw/zinc/61/80/16/529618016.db2.gz FABZTIARANPJBM-RISCZKNCSA-N 2 1 284.831 3.245 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623360392 349789273 /nfs/dbraw/zinc/78/92/73/349789273.db2.gz HWUIHENWMGBOPA-INIZCTEOSA-N 2 1 290.426 3.320 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(OC)c(OC)c1 ZINC000423271234 529654395 /nfs/dbraw/zinc/65/43/95/529654395.db2.gz XQFYLNMZZMNVSW-CABCVRRESA-N 2 1 294.439 3.118 20 0 CGADMP C[N@H+]1CC[C@@H](N[C@H]2CCCc3occc32)CC1(C)C ZINC000623356176 349787459 /nfs/dbraw/zinc/78/74/59/349787459.db2.gz AZLJUELTWODCEF-OCCSQVGLSA-N 2 1 262.397 3.119 20 0 CGADMP CN1CC[C@@H]([NH2+][C@H]2CCCc3occc32)CC1(C)C ZINC000623356176 349787462 /nfs/dbraw/zinc/78/74/62/349787462.db2.gz AZLJUELTWODCEF-OCCSQVGLSA-N 2 1 262.397 3.119 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3occc32)CC1(C)C ZINC000623356176 349787464 /nfs/dbraw/zinc/78/74/64/349787464.db2.gz AZLJUELTWODCEF-OCCSQVGLSA-N 2 1 262.397 3.119 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3occc32)CC1(C)C ZINC000623356176 349787466 /nfs/dbraw/zinc/78/74/66/349787466.db2.gz AZLJUELTWODCEF-OCCSQVGLSA-N 2 1 262.397 3.119 20 0 CGADMP Cc1cc(C)cc(OCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623374987 349793564 /nfs/dbraw/zinc/79/35/64/349793564.db2.gz YCUUCWLBWZGZFB-INIZCTEOSA-N 2 1 290.451 3.145 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)CC1(C)C ZINC000623381903 349795474 /nfs/dbraw/zinc/79/54/74/349795474.db2.gz NRTHPFGUWOLYEU-WBMJQRKESA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)CC1(C)C ZINC000623381903 349795477 /nfs/dbraw/zinc/79/54/77/349795477.db2.gz NRTHPFGUWOLYEU-WBMJQRKESA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccs2)CC1(C)C ZINC000623419817 349803678 /nfs/dbraw/zinc/80/36/78/349803678.db2.gz YZVRBQGTIANERJ-CYBMUJFWSA-N 2 1 280.481 3.488 20 0 CGADMP C[N@H+]1CC[C@@H](N[C@@H]2CSc3ccccc32)CC1(C)C ZINC000623424377 349804626 /nfs/dbraw/zinc/80/46/26/349804626.db2.gz PAGWNGREHCBYBF-TZMCWYRMSA-N 2 1 276.449 3.296 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000623425715 349805613 /nfs/dbraw/zinc/80/56/13/349805613.db2.gz KNDNPFOECMPION-QZTJIDSGSA-N 2 1 286.463 3.470 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000358341459 282273504 /nfs/dbraw/zinc/27/35/04/282273504.db2.gz NTQZFVXOBAQGRW-ABFRBSLYSA-N 2 1 284.488 3.146 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)CC1(C)C ZINC000623474215 349815764 /nfs/dbraw/zinc/81/57/64/349815764.db2.gz VKWRJDKGTYWVBU-BBBYJDLNSA-N 2 1 250.430 3.029 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000423501436 529722201 /nfs/dbraw/zinc/72/22/01/529722201.db2.gz DMLJQCCWOBCXBW-SMDDNHRTSA-N 2 1 266.454 3.479 20 0 CGADMP CC[C@]1(C)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351329113 219090102 /nfs/dbraw/zinc/09/01/02/219090102.db2.gz OJEJPQIVKMBAOP-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351329113 219090106 /nfs/dbraw/zinc/09/01/06/219090106.db2.gz OJEJPQIVKMBAOP-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351329113 219090109 /nfs/dbraw/zinc/09/01/09/219090109.db2.gz OJEJPQIVKMBAOP-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H](C[NH3+])CC(C)C)CCC2 ZINC000423257855 529748027 /nfs/dbraw/zinc/74/80/27/529748027.db2.gz AIQOSNRWGRFXMC-NWDGAFQWSA-N 2 1 281.469 3.046 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccc3[nH]ccc32)CC1(C)C ZINC000623515331 349824993 /nfs/dbraw/zinc/82/49/93/349824993.db2.gz YFYZXYVHQKSVRJ-OAHLLOKOSA-N 2 1 285.435 3.173 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1(C)C ZINC000623514616 349825073 /nfs/dbraw/zinc/82/50/73/349825073.db2.gz VIZVLCBBRGXGLM-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623557595 349833428 /nfs/dbraw/zinc/83/34/28/349833428.db2.gz BKWHPTSCHTXJAA-NSYSGPAISA-N 2 1 298.474 3.356 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623549584 349831409 /nfs/dbraw/zinc/83/14/09/349831409.db2.gz HCFSMVAKGNQJHI-RYUDHWBXSA-N 2 1 280.378 3.427 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623607072 349848260 /nfs/dbraw/zinc/84/82/60/349848260.db2.gz VSSCMRAMPIZSRW-MHORFTMASA-N 2 1 284.447 3.395 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000623656489 349858619 /nfs/dbraw/zinc/85/86/19/349858619.db2.gz VJDCTAZFFIVSQD-CYBMUJFWSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000623656489 349858621 /nfs/dbraw/zinc/85/86/21/349858621.db2.gz VJDCTAZFFIVSQD-CYBMUJFWSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000623657782 349859380 /nfs/dbraw/zinc/85/93/80/349859380.db2.gz YZDFJGWRJPNOGA-CSPWOOARSA-N 2 1 294.389 3.300 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000623656825 349858018 /nfs/dbraw/zinc/85/80/18/349858018.db2.gz CPHWQFAMDQJHOJ-HUUCEWRRSA-N 2 1 278.415 3.251 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000623656954 349858287 /nfs/dbraw/zinc/85/82/87/349858287.db2.gz GRTHLXQUFBHMFU-NJAFHUGGSA-N 2 1 272.436 3.112 20 0 CGADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(F)cccc1Cl ZINC000359185600 529877554 /nfs/dbraw/zinc/87/75/54/529877554.db2.gz GAPPFCLEHNIJRS-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)cccc1Cl ZINC000359185600 529877555 /nfs/dbraw/zinc/87/75/55/529877555.db2.gz GAPPFCLEHNIJRS-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc2ccccc2o1 ZINC000359222668 529877607 /nfs/dbraw/zinc/87/76/07/529877607.db2.gz QCEGJFGALWWNMR-UHFFFAOYSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@@H+](CCOc1ccccc1Cl)CCC1CC[NH2+]CC1 ZINC000359215733 529927440 /nfs/dbraw/zinc/92/74/40/529927440.db2.gz IRWVFKSGNNULQN-UHFFFAOYSA-N 2 1 296.842 3.040 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC23CC3)CC1(C)C ZINC000623825630 349891371 /nfs/dbraw/zinc/89/13/71/349891371.db2.gz HGTYPHUZIDMFTK-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623853741 349897208 /nfs/dbraw/zinc/89/72/08/349897208.db2.gz GIMUGANANXONFN-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCCO1 ZINC000623864366 349899162 /nfs/dbraw/zinc/89/91/62/349899162.db2.gz MWRUIAHJRAJGRB-ULQDDVLXSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351588363 219135524 /nfs/dbraw/zinc/13/55/24/219135524.db2.gz HJFFNHLEPLBELF-ZDUSSCGKSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351588363 219135526 /nfs/dbraw/zinc/13/55/26/219135526.db2.gz HJFFNHLEPLBELF-ZDUSSCGKSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1ccc(F)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000351588363 219135527 /nfs/dbraw/zinc/13/55/27/219135527.db2.gz HJFFNHLEPLBELF-ZDUSSCGKSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1ccc(F)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351588363 219135529 /nfs/dbraw/zinc/13/55/29/219135529.db2.gz HJFFNHLEPLBELF-ZDUSSCGKSA-N 2 1 284.806 3.253 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623898187 349909724 /nfs/dbraw/zinc/90/97/24/349909724.db2.gz BQAOHCKXFZTXOQ-CYBMUJFWSA-N 2 1 290.436 3.095 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000423267022 529998962 /nfs/dbraw/zinc/99/89/62/529998962.db2.gz DPBTVHWZBHPKFO-UWVGGRQHSA-N 2 1 275.223 3.500 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649416 344951888 /nfs/dbraw/zinc/95/18/88/344951888.db2.gz ZMBWCOGXWSTDPR-HUUCEWRRSA-N 2 1 288.435 3.139 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000044534853 345013162 /nfs/dbraw/zinc/01/31/62/345013162.db2.gz ZWEVSYUYKZRIKU-RHSMWYFYSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)c(C)c1 ZINC000044527667 345012400 /nfs/dbraw/zinc/01/24/00/345012400.db2.gz QRRSULBZKRZEJD-HZPDHXFCSA-N 2 1 260.425 3.344 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)s1 ZINC000044534071 345013034 /nfs/dbraw/zinc/01/30/34/345013034.db2.gz MDLQPCAGRJCCQL-GHMZBOCLSA-N 2 1 272.845 3.394 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000044534071 345013035 /nfs/dbraw/zinc/01/30/35/345013035.db2.gz MDLQPCAGRJCCQL-GHMZBOCLSA-N 2 1 272.845 3.394 20 0 CGADMP c1cnc2c(c1)cccc2C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000054317233 345132995 /nfs/dbraw/zinc/13/29/95/345132995.db2.gz IHTAHFRUEDSUMA-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623944729 349924338 /nfs/dbraw/zinc/92/43/38/349924338.db2.gz PAYDTJYYDPYORW-MRXNPFEDSA-N 2 1 289.467 3.341 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000084946369 345743716 /nfs/dbraw/zinc/74/37/16/345743716.db2.gz OISMQVDQSGVMQH-BBRMVZONSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161627558 232250449 /nfs/dbraw/zinc/25/04/49/232250449.db2.gz WQAKGLPHHLCYLE-MRXNPFEDSA-N 2 1 290.451 3.131 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519314 345898630 /nfs/dbraw/zinc/89/86/30/345898630.db2.gz CPCRNDJRCXDXOE-MRXNPFEDSA-N 2 1 272.436 3.384 20 0 CGADMP Clc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000112119223 345953268 /nfs/dbraw/zinc/95/32/68/345953268.db2.gz ZTWRVWRHHDECSR-UHFFFAOYSA-N 2 1 287.794 3.057 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108428195 345937561 /nfs/dbraw/zinc/93/75/61/345937561.db2.gz MRSCCJHSZDMJCS-GSPCDJLXSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc2ccccc12 ZINC000124494033 346013074 /nfs/dbraw/zinc/01/30/74/346013074.db2.gz XCCQXXVGKPFHIS-WCQYABFASA-N 2 1 260.406 3.213 20 0 CGADMP CC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000154429115 346149086 /nfs/dbraw/zinc/14/90/86/346149086.db2.gz BWPUURZJZITOOQ-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000251722892 346389418 /nfs/dbraw/zinc/38/94/18/346389418.db2.gz KBBKJRIZVKSTGR-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255168946 346396739 /nfs/dbraw/zinc/39/67/39/346396739.db2.gz LUSTWXDCRZDBMN-KKMIYCERSA-N 2 1 270.420 3.118 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255168946 346396740 /nfs/dbraw/zinc/39/67/40/346396740.db2.gz LUSTWXDCRZDBMN-KKMIYCERSA-N 2 1 270.420 3.118 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000311698336 346474831 /nfs/dbraw/zinc/47/48/31/346474831.db2.gz LUBBTAAQERIOOX-RDJZCZTQSA-N 2 1 262.441 3.326 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000311698336 346474832 /nfs/dbraw/zinc/47/48/32/346474832.db2.gz LUBBTAAQERIOOX-RDJZCZTQSA-N 2 1 262.441 3.326 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000312998661 346478122 /nfs/dbraw/zinc/47/81/22/346478122.db2.gz WBVCSTJMWVQHPV-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000624122220 349979987 /nfs/dbraw/zinc/97/99/87/349979987.db2.gz MOXKHNIQCQNMJY-MXWWQKGMSA-N 2 1 290.426 3.393 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)oc1C ZINC000624123377 349983241 /nfs/dbraw/zinc/98/32/41/349983241.db2.gz KXHBXYCDYMKNCA-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)oc1C ZINC000624123377 349983244 /nfs/dbraw/zinc/98/32/44/349983244.db2.gz KXHBXYCDYMKNCA-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000339428738 215162652 /nfs/dbraw/zinc/16/26/52/215162652.db2.gz LMTMWVZSIXUTPC-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000339428738 215162653 /nfs/dbraw/zinc/16/26/53/215162653.db2.gz LMTMWVZSIXUTPC-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000339428738 215162656 /nfs/dbraw/zinc/16/26/56/215162656.db2.gz LMTMWVZSIXUTPC-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000608067849 348282121 /nfs/dbraw/zinc/28/21/21/348282121.db2.gz XUBJDYWNSTXCRR-DOTOQJQBSA-N 2 1 260.425 3.123 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339436273 215171263 /nfs/dbraw/zinc/17/12/63/215171263.db2.gz GHNKYHYRBXBCGX-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339436273 215171264 /nfs/dbraw/zinc/17/12/64/215171264.db2.gz GHNKYHYRBXBCGX-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339436273 215171267 /nfs/dbraw/zinc/17/12/67/215171267.db2.gz GHNKYHYRBXBCGX-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339499383 215211813 /nfs/dbraw/zinc/21/18/13/215211813.db2.gz WPSOTYQOCJTHTF-ZMSDIMECSA-N 2 1 278.415 3.377 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339499383 215211814 /nfs/dbraw/zinc/21/18/14/215211814.db2.gz WPSOTYQOCJTHTF-ZMSDIMECSA-N 2 1 278.415 3.377 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000358035167 233043503 /nfs/dbraw/zinc/04/35/03/233043503.db2.gz NKSMSSPVNFXLGE-GDBMZVCRSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000358035167 233043505 /nfs/dbraw/zinc/04/35/05/233043505.db2.gz NKSMSSPVNFXLGE-GDBMZVCRSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000358035167 233043508 /nfs/dbraw/zinc/04/35/08/233043508.db2.gz NKSMSSPVNFXLGE-GDBMZVCRSA-N 2 1 290.476 3.325 20 0 CGADMP CC(C)[C@@H](C)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)C(C)C ZINC000613628942 348624178 /nfs/dbraw/zinc/62/41/78/348624178.db2.gz BURAMHCDSIYHMR-WTBPUQPLSA-N 2 1 254.462 3.495 20 0 CGADMP CC(C)[C@@H](C)[N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)C(C)C ZINC000613628942 348624180 /nfs/dbraw/zinc/62/41/80/348624180.db2.gz BURAMHCDSIYHMR-WTBPUQPLSA-N 2 1 254.462 3.495 20 0 CGADMP CC(C)[C@@H](C)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)C(C)C ZINC000613628942 348624182 /nfs/dbraw/zinc/62/41/82/348624182.db2.gz BURAMHCDSIYHMR-WTBPUQPLSA-N 2 1 254.462 3.495 20 0 CGADMP CC(C)CC[NH+](C)C/C=C\C[N@H+](C)CCC(C)C ZINC000613877640 348637381 /nfs/dbraw/zinc/63/73/81/348637381.db2.gz CVUKDCASFXUCMF-FPLPWBNLSA-N 2 1 254.462 3.498 20 0 CGADMP C[NH+](C)[C@]1(CNc2cc[nH+]c3ccsc32)CCSC1 ZINC000359017402 233242009 /nfs/dbraw/zinc/24/20/09/233242009.db2.gz UVNXVTKTKRPBHF-AWEZNQCLSA-N 2 1 293.461 3.146 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213170 191004414 /nfs/dbraw/zinc/00/44/14/191004414.db2.gz VLIBJZBBKRVTHU-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213170 191004418 /nfs/dbraw/zinc/00/44/18/191004418.db2.gz VLIBJZBBKRVTHU-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213170 191004419 /nfs/dbraw/zinc/00/44/19/191004419.db2.gz VLIBJZBBKRVTHU-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280704 191047390 /nfs/dbraw/zinc/04/73/90/191047390.db2.gz MAJNCBKOLJKADK-RDJZCZTQSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280704 191047393 /nfs/dbraw/zinc/04/73/93/191047393.db2.gz MAJNCBKOLJKADK-RDJZCZTQSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280704 191047395 /nfs/dbraw/zinc/04/73/95/191047395.db2.gz MAJNCBKOLJKADK-RDJZCZTQSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000271331044 191077369 /nfs/dbraw/zinc/07/73/69/191077369.db2.gz ARTAFAPJXSKVIU-GOEBONIOSA-N 2 1 275.440 3.163 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccsc1Cl ZINC000359749075 233371937 /nfs/dbraw/zinc/37/19/37/233371937.db2.gz SZYSCAJWPGGCMP-UHFFFAOYSA-N 2 1 283.828 3.476 20 0 CGADMP Cc1nccn1[C@H]1CCC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000628166939 350419130 /nfs/dbraw/zinc/41/91/30/350419130.db2.gz YPCYYBJZIDOTAM-LSDHHAIUSA-N 2 1 279.453 3.114 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000628425717 350536683 /nfs/dbraw/zinc/53/66/83/350536683.db2.gz SOVUZLAGBMDKIP-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP C/C=C\C[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628494988 350561255 /nfs/dbraw/zinc/56/12/55/350561255.db2.gz FYINHPXQIXGQRW-YPQKKHBXSA-N 2 1 296.418 3.446 20 0 CGADMP C/C=C\C[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628494988 350561257 /nfs/dbraw/zinc/56/12/57/350561257.db2.gz FYINHPXQIXGQRW-YPQKKHBXSA-N 2 1 296.418 3.446 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000629528950 350703154 /nfs/dbraw/zinc/70/31/54/350703154.db2.gz NVNJSWKAIJRFNJ-OAHLLOKOSA-N 2 1 289.467 3.328 20 0 CGADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000629548317 350710131 /nfs/dbraw/zinc/71/01/31/350710131.db2.gz DYLHSRLZKSMSMC-ZACCUICWSA-N 2 1 290.354 3.140 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000629551630 350711977 /nfs/dbraw/zinc/71/19/77/350711977.db2.gz VZURFZLNDYZYCO-DZGCQCFKSA-N 2 1 294.389 3.144 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556738 350713104 /nfs/dbraw/zinc/71/31/04/350713104.db2.gz XIPBXPLQSTWCBO-RBSFLKMASA-N 2 1 264.800 3.187 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564516 350714227 /nfs/dbraw/zinc/71/42/27/350714227.db2.gz SFQCNKOWBFKBIJ-YNEHKIRRSA-N 2 1 280.378 3.128 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629385339 350686627 /nfs/dbraw/zinc/68/66/27/350686627.db2.gz OBDDMKFGRIXUKB-CZUORRHYSA-N 2 1 290.476 3.214 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629415456 350690883 /nfs/dbraw/zinc/69/08/83/350690883.db2.gz QPFRKQLDOQVIJU-OIISXLGYSA-N 2 1 260.425 3.046 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000629510894 350699074 /nfs/dbraw/zinc/69/90/74/350699074.db2.gz WVPFSBYUDWRGHA-ZFWWWQNUSA-N 2 1 275.440 3.073 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000629593171 350716163 /nfs/dbraw/zinc/71/61/63/350716163.db2.gz HCOCHAYWZYUTFE-OKZBNKHCSA-N 2 1 288.410 3.135 20 0 CGADMP C[C@H]([NH3+])c1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000629733258 350755528 /nfs/dbraw/zinc/75/55/28/350755528.db2.gz LQRSDYZEDLNVLF-HNNXBMFYSA-N 2 1 296.414 3.206 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629656950 350732248 /nfs/dbraw/zinc/73/22/48/350732248.db2.gz SDSVBHJGOJCUJD-ZYHUDNBSSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629656950 350732249 /nfs/dbraw/zinc/73/22/49/350732249.db2.gz SDSVBHJGOJCUJD-ZYHUDNBSSA-N 2 1 292.370 3.016 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000629660105 350732660 /nfs/dbraw/zinc/73/26/60/350732660.db2.gz NULMUVSWHWJWBA-LALPHHSUSA-N 2 1 266.816 3.174 20 0 CGADMP CC[C@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629664562 350733446 /nfs/dbraw/zinc/73/34/46/350733446.db2.gz LBLSTARHCUXYCS-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(C)c2C)C1 ZINC000631049206 350936332 /nfs/dbraw/zinc/93/63/32/350936332.db2.gz FTEYUTZNAOAENJ-AWEZNQCLSA-N 2 1 266.454 3.186 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000631189265 350984129 /nfs/dbraw/zinc/98/41/29/350984129.db2.gz RFJMEYIDKYOJAB-GDBMZVCRSA-N 2 1 278.415 3.377 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)F)CC[N@H+]1Cc1ccccc1 ZINC000631189265 350984133 /nfs/dbraw/zinc/98/41/33/350984133.db2.gz RFJMEYIDKYOJAB-GDBMZVCRSA-N 2 1 278.415 3.377 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)[C@H](C)C1 ZINC000631665113 351109915 /nfs/dbraw/zinc/10/99/15/351109915.db2.gz ONWFUAFRVSJPJQ-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679072 351564913 /nfs/dbraw/zinc/56/49/13/351564913.db2.gz KYMYBJPMQGLCRQ-OWCLPIDISA-N 2 1 296.499 3.290 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCCC34CC4)CC[NH2+]2)cc1 ZINC000634998226 351620467 /nfs/dbraw/zinc/62/04/67/351620467.db2.gz CISXYNOKPTVNGE-IKGGRYGDSA-N 2 1 270.420 3.402 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634995876 351620710 /nfs/dbraw/zinc/62/07/10/351620710.db2.gz RLVCILVOGADJPS-GULBITTBSA-N 2 1 258.409 3.115 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(Cl)cn1 ZINC000635010183 351628791 /nfs/dbraw/zinc/62/87/91/351628791.db2.gz JCFGTNOQFWUERW-DGCLKSJQSA-N 2 1 281.831 3.164 20 0 CGADMP C[N@H+](Cc1ccc2ncccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000122772452 187050256 /nfs/dbraw/zinc/05/02/56/187050256.db2.gz BVOFONIADPKLAY-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccc2ncccc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000122772452 187050257 /nfs/dbraw/zinc/05/02/57/187050257.db2.gz BVOFONIADPKLAY-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccc2ncccc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000122772452 187050258 /nfs/dbraw/zinc/05/02/58/187050258.db2.gz BVOFONIADPKLAY-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP C(=C/C[N@H+]1CCC2(CCC2)C1)\C[NH+]1CCC2(CCC2)C1 ZINC000122952370 187062058 /nfs/dbraw/zinc/06/20/58/187062058.db2.gz HJTOBFQDIRPIMX-OWOJBTEDSA-N 2 1 274.452 3.295 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363795111 234000193 /nfs/dbraw/zinc/00/01/93/234000193.db2.gz YAQWVBKLJJIQKW-OIISXLGYSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000271534879 191197792 /nfs/dbraw/zinc/19/77/92/191197792.db2.gz KXCOGXZJHUMTSL-RHSMWYFYSA-N 2 1 290.426 3.221 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292141269 198179623 /nfs/dbraw/zinc/17/96/23/198179623.db2.gz MKSCYZVNZXWXSH-DOTOQJQBSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292141269 198179625 /nfs/dbraw/zinc/17/96/25/198179625.db2.gz MKSCYZVNZXWXSH-DOTOQJQBSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292141269 198179626 /nfs/dbraw/zinc/17/96/26/198179626.db2.gz MKSCYZVNZXWXSH-DOTOQJQBSA-N 2 1 258.409 3.084 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000367699291 234243171 /nfs/dbraw/zinc/24/31/71/234243171.db2.gz HNXKKXRQJQXXFN-FAAWYNLUSA-N 2 1 285.366 3.062 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292257159 198221166 /nfs/dbraw/zinc/22/11/66/198221166.db2.gz YGXDQQVNKHHVBI-SFHVURJKSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292257159 198221167 /nfs/dbraw/zinc/22/11/67/198221167.db2.gz YGXDQQVNKHHVBI-SFHVURJKSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292257159 198221169 /nfs/dbraw/zinc/22/11/69/198221169.db2.gz YGXDQQVNKHHVBI-SFHVURJKSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292257159 198221170 /nfs/dbraw/zinc/22/11/70/198221170.db2.gz YGXDQQVNKHHVBI-SFHVURJKSA-N 2 1 288.435 3.001 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000152952033 188055042 /nfs/dbraw/zinc/05/50/42/188055042.db2.gz VNAUBWHAPZQMRS-JZXOWHBKSA-N 2 1 290.451 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)CC[N@@H+]1C ZINC000336447126 213312951 /nfs/dbraw/zinc/31/29/51/213312951.db2.gz GAYUJYUMWVRYMT-WBMJQRKESA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)CC[N@H+]1C ZINC000336447126 213312953 /nfs/dbraw/zinc/31/29/53/213312953.db2.gz GAYUJYUMWVRYMT-WBMJQRKESA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC[NH+]1C ZINC000336447126 213312956 /nfs/dbraw/zinc/31/29/56/213312956.db2.gz GAYUJYUMWVRYMT-WBMJQRKESA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC[NH+]1C ZINC000336447126 213312959 /nfs/dbraw/zinc/31/29/59/213312959.db2.gz GAYUJYUMWVRYMT-WBMJQRKESA-N 2 1 289.398 3.222 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158520209 188379710 /nfs/dbraw/zinc/37/97/10/188379710.db2.gz ZHPJZLICRVYNGI-RDJZCZTQSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000158520209 188379712 /nfs/dbraw/zinc/37/97/12/188379712.db2.gz ZHPJZLICRVYNGI-RDJZCZTQSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000158520209 188379713 /nfs/dbraw/zinc/37/97/13/188379713.db2.gz ZHPJZLICRVYNGI-RDJZCZTQSA-N 2 1 290.476 3.325 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2F)CC[N@H+]1C ZINC000158769809 188393497 /nfs/dbraw/zinc/39/34/97/188393497.db2.gz CTRRUTJTSIVPCI-HIFRSBDPSA-N 2 1 296.455 3.131 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000344031278 283003252 /nfs/dbraw/zinc/00/32/52/283003252.db2.gz HFWHQXISVWDFNJ-ACJLOTCBSA-N 2 1 288.410 3.277 20 0 CGADMP COCCC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411202513 235038260 /nfs/dbraw/zinc/03/82/60/235038260.db2.gz VGFSOWVQBOCLOX-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412084345 235120526 /nfs/dbraw/zinc/12/05/26/235120526.db2.gz USEPJEIMGJEFTO-CABCVRRESA-N 2 1 293.455 3.153 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271847011 191365317 /nfs/dbraw/zinc/36/53/17/191365317.db2.gz HYDFFZOCDQKVSN-LBPRGKRZSA-N 2 1 294.826 3.261 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000414194607 235360677 /nfs/dbraw/zinc/36/06/77/235360677.db2.gz ULDSRCVXWROGAV-JKSUJKDBSA-N 2 1 289.467 3.135 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000414194606 235360855 /nfs/dbraw/zinc/36/08/55/235360855.db2.gz ULDSRCVXWROGAV-HZPDHXFCSA-N 2 1 289.467 3.135 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414194240 235361004 /nfs/dbraw/zinc/36/10/04/235361004.db2.gz UNPQVBQVPWEJFR-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414199624 235361689 /nfs/dbraw/zinc/36/16/89/235361689.db2.gz XOKNIFLURXORRR-SMDDNHRTSA-N 2 1 281.469 3.142 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420317737 235740792 /nfs/dbraw/zinc/74/07/92/235740792.db2.gz NVJLMYJVHVLGDK-ZIAGYGMSSA-N 2 1 272.392 3.425 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420380997 235745404 /nfs/dbraw/zinc/74/54/04/235745404.db2.gz ROOCRCZHNISRGJ-NVXWUHKLSA-N 2 1 258.409 3.132 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000091287743 138343941 /nfs/dbraw/zinc/34/39/41/138343941.db2.gz VSCXNABHMALWET-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000123647762 138368887 /nfs/dbraw/zinc/36/88/87/138368887.db2.gz JOOPMOKFRLRFOA-WFASDCNBSA-N 2 1 252.377 3.192 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000123647762 138368888 /nfs/dbraw/zinc/36/88/88/138368888.db2.gz JOOPMOKFRLRFOA-WFASDCNBSA-N 2 1 252.377 3.192 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOc1ccccc1Cl ZINC000123709396 138369364 /nfs/dbraw/zinc/36/93/64/138369364.db2.gz BSPCWZOFKACMST-AWEZNQCLSA-N 2 1 284.831 3.024 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000124818341 138378022 /nfs/dbraw/zinc/37/80/22/138378022.db2.gz TVRQRGPIPZCCJQ-INIZCTEOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000124818341 138378023 /nfs/dbraw/zinc/37/80/23/138378023.db2.gz TVRQRGPIPZCCJQ-INIZCTEOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423098813 235972445 /nfs/dbraw/zinc/97/24/45/235972445.db2.gz LODZUQACUGUYGY-NBOOPKSLSA-N 2 1 272.436 3.361 20 0 CGADMP CCC[N@@H+](CCc1cccs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414760409 283268538 /nfs/dbraw/zinc/26/85/38/283268538.db2.gz YOVFELFBKRDTQP-GJZGRUSLSA-N 2 1 280.481 3.391 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423328459 236040094 /nfs/dbraw/zinc/04/00/94/236040094.db2.gz OERDGSMJIXDIHS-NOZJJQNGSA-N 2 1 272.314 3.093 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423334047 236042610 /nfs/dbraw/zinc/04/26/10/236042610.db2.gz QIARZOWBVSYBOJ-WMLDXEAASA-N 2 1 276.424 3.126 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C2CCC2)o1 ZINC000423370935 236052781 /nfs/dbraw/zinc/05/27/81/236052781.db2.gz FBALDNMAHVKCJV-DJSGYFEHSA-N 2 1 262.397 3.159 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1csc(Cl)c1 ZINC000423375890 236054800 /nfs/dbraw/zinc/05/48/00/236054800.db2.gz IZXRGPVMCAWWGA-WCABBAIRSA-N 2 1 258.818 3.193 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000423525742 236091970 /nfs/dbraw/zinc/09/19/70/236091970.db2.gz KOGLYVDHYUYLAA-CSCXSELSSA-N 2 1 299.462 3.194 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000424189113 236131287 /nfs/dbraw/zinc/13/12/87/236131287.db2.gz ZSLOWASHALUDHT-DJIMGWMZSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000424189113 236131288 /nfs/dbraw/zinc/13/12/88/236131288.db2.gz ZSLOWASHALUDHT-DJIMGWMZSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C/C=C/c1ccccc1)CC[NH2+]CC2 ZINC000424386141 236159412 /nfs/dbraw/zinc/15/94/12/236159412.db2.gz XAWNZRKVANVMBJ-WHWKNOJMSA-N 2 1 270.420 3.164 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000424335846 236152140 /nfs/dbraw/zinc/15/21/40/236152140.db2.gz PLJRMZYRZXQLRK-HUUCEWRRSA-N 2 1 289.810 3.248 20 0 CGADMP C[C@H]1C[C@H](C[N@H+](Cc2ccc(F)cc2)CC2CC2)CC[NH2+]1 ZINC000414712330 291121098 /nfs/dbraw/zinc/12/10/98/291121098.db2.gz TYIXJQVJXZALND-WMLDXEAASA-N 2 1 290.426 3.426 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cccc(Cl)c1 ZINC000427122885 236322820 /nfs/dbraw/zinc/32/28/20/236322820.db2.gz UDOZOSUFWGYMNW-XNRPHZJLSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cccc(Cl)c1 ZINC000427122885 236322822 /nfs/dbraw/zinc/32/28/22/236322822.db2.gz UDOZOSUFWGYMNW-XNRPHZJLSA-N 2 1 278.827 3.127 20 0 CGADMP c1c2ccccc2sc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427139376 236323894 /nfs/dbraw/zinc/32/38/94/236323894.db2.gz FYMKKNVGMLYOOJ-UKRRQHHQSA-N 2 1 272.417 3.085 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427139376 236323895 /nfs/dbraw/zinc/32/38/95/236323895.db2.gz FYMKKNVGMLYOOJ-UKRRQHHQSA-N 2 1 272.417 3.085 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685234 199132749 /nfs/dbraw/zinc/13/27/49/199132749.db2.gz DKEBIKPBFKACEY-PBFPGSCMSA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685234 199132750 /nfs/dbraw/zinc/13/27/50/199132750.db2.gz DKEBIKPBFKACEY-PBFPGSCMSA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685234 199132751 /nfs/dbraw/zinc/13/27/51/199132751.db2.gz DKEBIKPBFKACEY-PBFPGSCMSA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685234 199132752 /nfs/dbraw/zinc/13/27/52/199132752.db2.gz DKEBIKPBFKACEY-PBFPGSCMSA-N 2 1 296.405 3.483 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000294795660 199187270 /nfs/dbraw/zinc/18/72/70/199187270.db2.gz MKOMUHSGPUEDPY-WMZOPIPTSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@](C)(C[NH3+])C(C)C)cc1C ZINC000430564975 236576176 /nfs/dbraw/zinc/57/61/76/236576176.db2.gz NXYZHBXJCVQYMA-QGZVFWFLSA-N 2 1 278.440 3.035 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cncs1 ZINC000157921424 299289301 /nfs/dbraw/zinc/28/93/01/299289301.db2.gz HIIDCQPZJRTKCK-KGLIPLIRSA-N 2 1 281.469 3.306 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1cccs1 ZINC000297794508 200282773 /nfs/dbraw/zinc/28/27/73/200282773.db2.gz XACCUJLSPCTREW-ZDUSSCGKSA-N 2 1 278.465 3.143 20 0 CGADMP Fc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000298113481 200336323 /nfs/dbraw/zinc/33/63/23/200336323.db2.gz OMAHBUYNNDYDFZ-CTYIDZIISA-N 2 1 288.410 3.288 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC)cc2)C1 ZINC000177033658 189022769 /nfs/dbraw/zinc/02/27/69/189022769.db2.gz PJRPBONCYBDBSP-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC)cc2)C1 ZINC000177033658 189022770 /nfs/dbraw/zinc/02/27/70/189022770.db2.gz PJRPBONCYBDBSP-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2)C1 ZINC000177033658 189022771 /nfs/dbraw/zinc/02/27/71/189022771.db2.gz PJRPBONCYBDBSP-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC)cc2)C1 ZINC000177033658 189022772 /nfs/dbraw/zinc/02/27/72/189022772.db2.gz PJRPBONCYBDBSP-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342095693 216217150 /nfs/dbraw/zinc/21/71/50/216217150.db2.gz YQWOIHYOSQOSNW-XIRDDKMYSA-N 2 1 288.435 3.033 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(Cl)c2)CC[N@H+]1C ZINC000180462787 189256716 /nfs/dbraw/zinc/25/67/16/189256716.db2.gz TVTPHANYPPODMY-BBRMVZONSA-N 2 1 280.843 3.345 20 0 CGADMP Cc1cc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301484850 201024023 /nfs/dbraw/zinc/02/40/23/201024023.db2.gz VYTZGGGLBUSUHY-HNNXBMFYSA-N 2 1 298.434 3.416 20 0 CGADMP Cc1cc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301484850 201024024 /nfs/dbraw/zinc/02/40/24/201024024.db2.gz VYTZGGGLBUSUHY-HNNXBMFYSA-N 2 1 298.434 3.416 20 0 CGADMP C[N@H+](CCNc1cc[nH+]cc1Cl)Cc1ccc(F)cc1 ZINC000301521423 201043749 /nfs/dbraw/zinc/04/37/49/201043749.db2.gz DKPREMKTCRUMTD-UHFFFAOYSA-N 2 1 293.773 3.418 20 0 CGADMP C[N@@H+](CCNc1cc[nH+]cc1Cl)Cc1ccc(F)cc1 ZINC000301521423 201043753 /nfs/dbraw/zinc/04/37/53/201043753.db2.gz DKPREMKTCRUMTD-UHFFFAOYSA-N 2 1 293.773 3.418 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cs1 ZINC000449030314 239126216 /nfs/dbraw/zinc/12/62/16/239126216.db2.gz RFURHOXCIXMDFR-OAHLLOKOSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cs1 ZINC000449030314 239126218 /nfs/dbraw/zinc/12/62/18/239126218.db2.gz RFURHOXCIXMDFR-OAHLLOKOSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cs1 ZINC000449030314 239126222 /nfs/dbraw/zinc/12/62/22/239126222.db2.gz RFURHOXCIXMDFR-OAHLLOKOSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cs1 ZINC000449030314 239126225 /nfs/dbraw/zinc/12/62/25/239126225.db2.gz RFURHOXCIXMDFR-OAHLLOKOSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000449072688 239159040 /nfs/dbraw/zinc/15/90/40/239159040.db2.gz KVBVZSYABCPNEP-DSJMHWKBSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)cc(F)c1 ZINC000449082900 239166276 /nfs/dbraw/zinc/16/62/76/239166276.db2.gz QOVUNAYGJNGJDI-JLZZUVOBSA-N 2 1 294.389 3.285 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc(F)c1 ZINC000449082900 239166282 /nfs/dbraw/zinc/16/62/82/239166282.db2.gz QOVUNAYGJNGJDI-JLZZUVOBSA-N 2 1 294.389 3.285 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000302135905 201357287 /nfs/dbraw/zinc/35/72/87/201357287.db2.gz AZTNUKHLCVFJQA-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP Cc1cccc(CC[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000449326809 239316267 /nfs/dbraw/zinc/31/62/67/239316267.db2.gz ZGYHVVGWSMBXDL-IBGZPJMESA-N 2 1 286.463 3.201 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CC(C)(C)C ZINC000120075617 370735650 /nfs/dbraw/zinc/73/56/50/370735650.db2.gz WOEVSPPBZBJLIS-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000120075617 370735654 /nfs/dbraw/zinc/73/56/54/370735654.db2.gz WOEVSPPBZBJLIS-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000120075617 370735656 /nfs/dbraw/zinc/73/56/56/370735656.db2.gz WOEVSPPBZBJLIS-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OCC1CC1 ZINC000120350130 370760278 /nfs/dbraw/zinc/76/02/78/370760278.db2.gz CQNVHCRQYFPXSH-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OCC1CC1 ZINC000120350130 370760280 /nfs/dbraw/zinc/76/02/80/370760280.db2.gz CQNVHCRQYFPXSH-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000335631306 212345993 /nfs/dbraw/zinc/34/59/93/212345993.db2.gz AEGSJWJKCCXGOV-ROUUACIJSA-N 2 1 295.430 3.056 20 0 CGADMP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000450728709 240057222 /nfs/dbraw/zinc/05/72/22/240057222.db2.gz PSYJSAUSTMWWEU-HOTGVXAUSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000450728709 240057228 /nfs/dbraw/zinc/05/72/28/240057228.db2.gz PSYJSAUSTMWWEU-HOTGVXAUSA-N 2 1 287.451 3.133 20 0 CGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(C)n1 ZINC000450858820 240123978 /nfs/dbraw/zinc/12/39/78/240123978.db2.gz UAJFFIINYKIULI-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C)n1 ZINC000450858820 240123985 /nfs/dbraw/zinc/12/39/85/240123985.db2.gz UAJFFIINYKIULI-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275367311 193011258 /nfs/dbraw/zinc/01/12/58/193011258.db2.gz BUCVMEKZPXWAMX-ROUUACIJSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275523170 193066545 /nfs/dbraw/zinc/06/65/45/193066545.db2.gz LFQZSNKLPBPBIO-HUUCEWRRSA-N 2 1 269.392 3.105 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCCC(C)C)cn1 ZINC000275689816 193105515 /nfs/dbraw/zinc/10/55/15/193105515.db2.gz IGABYSVWZDCVIU-UHFFFAOYSA-N 2 1 272.396 3.102 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402718 240917054 /nfs/dbraw/zinc/91/70/54/240917054.db2.gz ALRXCKKYWURUGG-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000424336792 299370652 /nfs/dbraw/zinc/37/06/52/299370652.db2.gz QZCQMCXASLDAEO-ZLKJLUDKSA-N 2 1 252.789 3.261 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2Cl)C1 ZINC000459721819 242192598 /nfs/dbraw/zinc/19/25/98/242192598.db2.gz AZBMXZBXIPNOMM-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459733172 242196090 /nfs/dbraw/zinc/19/60/90/242196090.db2.gz GLBYMQBAHKJUAY-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000462747270 242361666 /nfs/dbraw/zinc/36/16/66/242361666.db2.gz CLSRILJBJYUFTB-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000462747270 242361670 /nfs/dbraw/zinc/36/16/70/242361670.db2.gz CLSRILJBJYUFTB-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480662804 243159291 /nfs/dbraw/zinc/15/92/91/243159291.db2.gz WGKLZCCTXMXYMS-SUMWQHHRSA-N 2 1 296.405 3.217 20 0 CGADMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1(C)CC1 ZINC000480699603 243161297 /nfs/dbraw/zinc/16/12/97/243161297.db2.gz QDFNXLNCNXGXFD-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000479694847 243121614 /nfs/dbraw/zinc/12/16/14/243121614.db2.gz QOZMAHODDZWVPH-MAUKXSAKSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cccc(CCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000481082967 243176285 /nfs/dbraw/zinc/17/62/85/243176285.db2.gz XKOHAMSLWDCUQS-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1cccc(CCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000481082967 243176290 /nfs/dbraw/zinc/17/62/90/243176290.db2.gz XKOHAMSLWDCUQS-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000485231056 243328631 /nfs/dbraw/zinc/32/86/31/243328631.db2.gz ANIZHLAOPOGCDY-UHFFFAOYSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C/C=C\c2ccncc2)C1 ZINC000486979872 243390129 /nfs/dbraw/zinc/39/01/29/243390129.db2.gz KHCHSVIYBLMXSC-FNRLBKLVSA-N 2 1 287.451 3.052 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000020204002 368805861 /nfs/dbraw/zinc/80/58/61/368805861.db2.gz IESOMLOZCRFCBT-OAHLLOKOSA-N 2 1 262.397 3.121 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000019905871 368778344 /nfs/dbraw/zinc/77/83/44/368778344.db2.gz ZXLZDZBPINMLFY-AWEZNQCLSA-N 2 1 278.440 3.242 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1ccc(F)cc1)Cc1ccccc1 ZINC000019913202 368781703 /nfs/dbraw/zinc/78/17/03/368781703.db2.gz JVGRSRSTSWYTFA-UHFFFAOYSA-N 2 1 286.394 3.437 20 0 CGADMP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000019912885 368782094 /nfs/dbraw/zinc/78/20/94/368782094.db2.gz HCORWMKQMUMTIZ-MRXNPFEDSA-N 2 1 260.425 3.349 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000019943278 368787668 /nfs/dbraw/zinc/78/76/68/368787668.db2.gz QKUPRGKMWBCCQK-CYBMUJFWSA-N 2 1 252.377 3.208 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000035450937 369002557 /nfs/dbraw/zinc/00/25/57/369002557.db2.gz SQJUPKJVEOBVJZ-JKSUJKDBSA-N 2 1 278.440 3.455 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996820 369049078 /nfs/dbraw/zinc/04/90/78/369049078.db2.gz SRZUNUYAHIYJPN-BHYGNILZSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996820 369049081 /nfs/dbraw/zinc/04/90/81/369049081.db2.gz SRZUNUYAHIYJPN-BHYGNILZSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996864 369048813 /nfs/dbraw/zinc/04/88/13/369048813.db2.gz RKQHXNIECJWZDH-BHYGNILZSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996864 369048815 /nfs/dbraw/zinc/04/88/15/369048815.db2.gz RKQHXNIECJWZDH-BHYGNILZSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000037140932 369067784 /nfs/dbraw/zinc/06/77/84/369067784.db2.gz UTVTWMYDBNGZFP-GFCCVEGCSA-N 2 1 264.438 3.334 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000037643716 369093306 /nfs/dbraw/zinc/09/33/06/369093306.db2.gz ZGZAPMHKCANJCD-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000037644105 369093581 /nfs/dbraw/zinc/09/35/81/369093581.db2.gz XVLZMUZKQNEORO-CJNGLKHVSA-N 2 1 264.388 3.208 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000037644322 369094798 /nfs/dbraw/zinc/09/47/98/369094798.db2.gz PLHBWNIMAACWLS-QWRGUYRKSA-N 2 1 272.845 3.394 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037648950 369095626 /nfs/dbraw/zinc/09/56/26/369095626.db2.gz KZYAYHHDJULKIU-MRXNPFEDSA-N 2 1 288.435 3.048 20 0 CGADMP Fc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649456 369097075 /nfs/dbraw/zinc/09/70/75/369097075.db2.gz HNBCBJLQKUYZEC-FZKQIMNGSA-N 2 1 288.410 3.351 20 0 CGADMP c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649223 369097308 /nfs/dbraw/zinc/09/73/08/369097308.db2.gz HFIOMNXHUKDJQJ-CZUORRHYSA-N 2 1 288.460 3.297 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649366 369097918 /nfs/dbraw/zinc/09/79/18/369097918.db2.gz GSGDEQOJOZGGMJ-QWHCGFSZSA-N 2 1 278.827 3.475 20 0 CGADMP C/C(=C\c1ccccc1)C[N@H+](C)CCn1cc[nH+]c1C ZINC000494231521 244272695 /nfs/dbraw/zinc/27/26/95/244272695.db2.gz SLADTLMBQZPOOR-FYWRMAATSA-N 2 1 269.392 3.227 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000494231521 244272700 /nfs/dbraw/zinc/27/27/00/244272700.db2.gz SLADTLMBQZPOOR-FYWRMAATSA-N 2 1 269.392 3.227 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000495085319 244354378 /nfs/dbraw/zinc/35/43/78/244354378.db2.gz HMJLNZUEWMQRMC-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000495085319 244354384 /nfs/dbraw/zinc/35/43/84/244354384.db2.gz HMJLNZUEWMQRMC-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000495085319 244354388 /nfs/dbraw/zinc/35/43/88/244354388.db2.gz HMJLNZUEWMQRMC-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000495085319 244354392 /nfs/dbraw/zinc/35/43/92/244354392.db2.gz HMJLNZUEWMQRMC-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000049329715 369396450 /nfs/dbraw/zinc/39/64/50/369396450.db2.gz GCOBCCFZAJGLTO-FCCIYARUSA-N 2 1 287.451 3.386 20 0 CGADMP Cc1cc(NCC[N@H+](C)C(C)C)c2ccccc2[nH+]1 ZINC000054128345 369495938 /nfs/dbraw/zinc/49/59/38/369495938.db2.gz ZYFIWSCERZXDFF-UHFFFAOYSA-N 2 1 257.381 3.295 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000062017925 369614875 /nfs/dbraw/zinc/61/48/75/369614875.db2.gz DCIIHAVSSMJJLM-NSHDSACASA-N 2 1 254.805 3.318 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)o1 ZINC000219255570 376198629 /nfs/dbraw/zinc/19/86/29/376198629.db2.gz HVKYDMFIXXKTPW-ZDUSSCGKSA-N 2 1 252.402 3.277 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)o1 ZINC000219255570 376198635 /nfs/dbraw/zinc/19/86/35/376198635.db2.gz HVKYDMFIXXKTPW-ZDUSSCGKSA-N 2 1 252.402 3.277 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276596887 193394870 /nfs/dbraw/zinc/39/48/70/193394870.db2.gz AQYZAGKTUITABG-OAHLLOKOSA-N 2 1 275.440 3.163 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169793 369786221 /nfs/dbraw/zinc/78/62/21/369786221.db2.gz VLNLQEMYRZRQPO-CJNGLKHVSA-N 2 1 264.388 3.338 20 0 CGADMP CC(C)CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446391 369938746 /nfs/dbraw/zinc/93/87/46/369938746.db2.gz HUAWBYFMHCFJIL-QGZVFWFLSA-N 2 1 260.425 3.144 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219590125 376200724 /nfs/dbraw/zinc/20/07/24/376200724.db2.gz MTLVVRUHQJJZOQ-LLVKDONJSA-N 2 1 290.329 3.015 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000512147061 245020174 /nfs/dbraw/zinc/02/01/74/245020174.db2.gz JJBKWCIVALQILI-NMBNSIPYSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000512147061 245020180 /nfs/dbraw/zinc/02/01/80/245020180.db2.gz JJBKWCIVALQILI-NMBNSIPYSA-N 2 1 292.373 3.194 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000514083093 245105106 /nfs/dbraw/zinc/10/51/06/245105106.db2.gz JRTGYXPBLKWRGH-BZSNNMDCSA-N 2 1 294.483 3.188 20 0 CGADMP Fc1cc(F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000219552037 376201362 /nfs/dbraw/zinc/20/13/62/376201362.db2.gz WSODFNCTSFEMKY-INIZCTEOSA-N 2 1 298.352 3.068 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842820 370629190 /nfs/dbraw/zinc/62/91/90/370629190.db2.gz XNGPFOWGCQTWFX-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842820 370629192 /nfs/dbraw/zinc/62/91/92/370629192.db2.gz XNGPFOWGCQTWFX-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842820 370629195 /nfs/dbraw/zinc/62/91/95/370629195.db2.gz XNGPFOWGCQTWFX-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000129970553 371008746 /nfs/dbraw/zinc/00/87/46/371008746.db2.gz MAGUPCKKMXSEIQ-WTIISPKJSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000129970553 371008751 /nfs/dbraw/zinc/00/87/51/371008751.db2.gz MAGUPCKKMXSEIQ-WTIISPKJSA-N 2 1 278.362 3.180 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)ccc1F)C1CC[NH2+]CC1 ZINC000219649406 376202215 /nfs/dbraw/zinc/20/22/15/376202215.db2.gz AMDRIDZIUNTMNR-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP CCC[N@@H+](Cc1cc(Cl)ccc1F)C1CC[NH2+]CC1 ZINC000219649406 376202218 /nfs/dbraw/zinc/20/22/18/376202218.db2.gz AMDRIDZIUNTMNR-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP CCC[N@@H+](Cc1c(C)cccc1C)C1CC[NH2+]CC1 ZINC000130906330 371068446 /nfs/dbraw/zinc/06/84/46/371068446.db2.gz PQBMRCGTMQOGOD-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000131499257 371111849 /nfs/dbraw/zinc/11/18/49/371111849.db2.gz NOORJRXXGFHGIM-CPUCHLNUSA-N 2 1 292.442 3.422 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c2ccccc12 ZINC000132215384 371158835 /nfs/dbraw/zinc/15/88/35/371158835.db2.gz MWLDMZYSKCCDMF-KBPBESRZSA-N 2 1 284.403 3.018 20 0 CGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000132918978 371212213 /nfs/dbraw/zinc/21/22/13/371212213.db2.gz LSSWJVDOTSGKOR-XLAORIBOSA-N 2 1 297.531 3.061 20 0 CGADMP C[NH+](C)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000132967820 371216463 /nfs/dbraw/zinc/21/64/63/371216463.db2.gz AWWHKJJUDIMEHW-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133315639 371243031 /nfs/dbraw/zinc/24/30/31/371243031.db2.gz HUSPRXIVCTZQRK-QWHCGFSZSA-N 2 1 295.496 3.055 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000133417401 371249516 /nfs/dbraw/zinc/24/95/16/371249516.db2.gz LLAQWTWJHZQORB-CQSZACIVSA-N 2 1 284.831 3.154 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000133835346 371282548 /nfs/dbraw/zinc/28/25/48/371282548.db2.gz DODNTOCPMDQQCO-KEYYUXOJSA-N 2 1 292.442 3.422 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000134124557 371304497 /nfs/dbraw/zinc/30/44/97/371304497.db2.gz XGXPQMLGBREGBE-XHSDSOJGSA-N 2 1 296.499 3.148 20 0 CGADMP c1oc2ccccc2c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000135030765 371386259 /nfs/dbraw/zinc/38/62/59/371386259.db2.gz PHGGYAVENWZVJC-UHFFFAOYSA-N 2 1 272.392 3.398 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000136048447 371458962 /nfs/dbraw/zinc/45/89/62/371458962.db2.gz ITIBONYGMQTYOB-HIFRSBDPSA-N 2 1 263.429 3.386 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150104612 371532664 /nfs/dbraw/zinc/53/26/64/371532664.db2.gz QVAFDFMXXLKZFU-CYBMUJFWSA-N 2 1 268.351 3.056 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000151127093 371574554 /nfs/dbraw/zinc/57/45/54/371574554.db2.gz DDRYOILSKOKUPK-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152127627 371675751 /nfs/dbraw/zinc/67/57/51/371675751.db2.gz AMWAGMSRNRFRFA-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152127627 371675758 /nfs/dbraw/zinc/67/57/58/371675758.db2.gz AMWAGMSRNRFRFA-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152156721 371679017 /nfs/dbraw/zinc/67/90/17/371679017.db2.gz QAECSVHOCCQCBG-ZOBUZTSGSA-N 2 1 260.425 3.285 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152156721 371679023 /nfs/dbraw/zinc/67/90/23/371679023.db2.gz QAECSVHOCCQCBG-ZOBUZTSGSA-N 2 1 260.425 3.285 20 0 CGADMP CSc1cccc(F)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000287416932 371653185 /nfs/dbraw/zinc/65/31/85/371653185.db2.gz JWJAHJQZGCLJCD-STQMWFEESA-N 2 1 294.439 3.264 20 0 CGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422712145 371763193 /nfs/dbraw/zinc/76/31/93/371763193.db2.gz GMNKVZATKPLBMA-YPMHNXCESA-N 2 1 291.420 3.010 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422712814 371764088 /nfs/dbraw/zinc/76/40/88/371764088.db2.gz OMRDKCVIKUMFJH-PILAGYSTSA-N 2 1 288.435 3.316 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422716066 371765359 /nfs/dbraw/zinc/76/53/59/371765359.db2.gz TYWZNXDEZDVMOO-CJNGLKHVSA-N 2 1 278.415 3.224 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422736561 371775678 /nfs/dbraw/zinc/77/56/78/371775678.db2.gz GNYYGPGUOVOHTG-ZWKOTPCHSA-N 2 1 296.414 3.498 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1cccs1)c1c[nH+]ccc1N ZINC000422747803 371782247 /nfs/dbraw/zinc/78/22/47/371782247.db2.gz ZLILURCVFJFQSH-NSHDSACASA-N 2 1 275.421 3.184 20 0 CGADMP C[C@@H]([NH2+]CCCSc1ccccc1)c1c[nH+]ccc1N ZINC000422750096 371784776 /nfs/dbraw/zinc/78/47/76/371784776.db2.gz CDKXZQKZKPOVAF-CYBMUJFWSA-N 2 1 287.432 3.327 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422828650 371831588 /nfs/dbraw/zinc/83/15/88/371831588.db2.gz ORZAKSRJHZIHDB-ILXRZTDVSA-N 2 1 296.361 3.135 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422770706 371794319 /nfs/dbraw/zinc/79/43/19/371794319.db2.gz XAIZGXWKQSLTMU-RYUDHWBXSA-N 2 1 275.421 3.026 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422805451 371820285 /nfs/dbraw/zinc/82/02/85/371820285.db2.gz GVZASJTXGUDEHO-HLTSFMKQSA-N 2 1 295.374 3.328 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000422806061 371821118 /nfs/dbraw/zinc/82/11/18/371821118.db2.gz HRNZEYBIXVZENZ-WOPDTQHZSA-N 2 1 268.351 3.004 20 0 CGADMP CC[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000422945377 371885390 /nfs/dbraw/zinc/88/53/90/371885390.db2.gz UIOPOAVJLSWAOK-NEPJUHHUSA-N 2 1 272.845 3.064 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000422922019 371872311 /nfs/dbraw/zinc/87/23/11/371872311.db2.gz PKHIVQTZMRHRSB-MKBNYLNASA-N 2 1 282.378 3.394 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1Cl ZINC000422948096 371887148 /nfs/dbraw/zinc/88/71/48/371887148.db2.gz ZQYWIZABIRQJQT-KBPBESRZSA-N 2 1 282.815 3.098 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)c1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422850676 371840576 /nfs/dbraw/zinc/84/05/76/371840576.db2.gz NZCDEGFUAITXIU-CVEARBPZSA-N 2 1 278.415 3.224 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000290220798 371938772 /nfs/dbraw/zinc/93/87/72/371938772.db2.gz QUIOYBPVGNOUJO-MGPQQGTHSA-N 2 1 287.407 3.255 20 0 CGADMP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422967435 371895503 /nfs/dbraw/zinc/89/55/03/371895503.db2.gz BVAPSVGLZIFOCK-DXBFTMOHSA-N 2 1 288.435 3.474 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000422981398 371901774 /nfs/dbraw/zinc/90/17/74/371901774.db2.gz SOPHDQUSBRPKJY-NJAFHUGGSA-N 2 1 289.467 3.243 20 0 CGADMP CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423005280 371911925 /nfs/dbraw/zinc/91/19/25/371911925.db2.gz RBFMBVOXOQYYBI-LZWOXQAQSA-N 2 1 278.465 3.287 20 0 CGADMP CC(C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290201797 371931129 /nfs/dbraw/zinc/93/11/29/371931129.db2.gz PEVHFNAVHQFHNA-KRWDZBQOSA-N 2 1 260.425 3.287 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344102146 217048639 /nfs/dbraw/zinc/04/86/39/217048639.db2.gz FOHWLVALZPAFDV-HIFRSBDPSA-N 2 1 286.419 3.356 20 0 CGADMP C[N@H+]1CC[C@H]2CCN(C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306023 371960202 /nfs/dbraw/zinc/96/02/02/371960202.db2.gz IIJSZRPZFSYEKG-FEJRJVMZSA-N 2 1 292.373 3.004 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423094512 371960690 /nfs/dbraw/zinc/96/06/90/371960690.db2.gz KGOYYXQTNASZDS-SCTFDZSOSA-N 2 1 294.389 3.331 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423095876 371961597 /nfs/dbraw/zinc/96/15/97/371961597.db2.gz NIOIUYLXXWFKPD-ZFZWDLNGSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423128579 371980919 /nfs/dbraw/zinc/98/09/19/371980919.db2.gz LCUSSNGLHXEUEX-ODVANORSSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[NH2+]C1 ZINC000423149076 371991837 /nfs/dbraw/zinc/99/18/37/371991837.db2.gz AIWZBFYCQDSXCC-GAFUQQFSSA-N 2 1 298.352 3.069 20 0 CGADMP Fc1cc(F)c2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000423148603 371992036 /nfs/dbraw/zinc/99/20/36/371992036.db2.gz WCCBBKCIYSSQCO-JAECXMTMSA-N 2 1 292.373 3.215 20 0 CGADMP CCOC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(C)C ZINC000423074557 371947563 /nfs/dbraw/zinc/94/75/63/371947563.db2.gz UYSLGSIREBBRGF-KURKYZTESA-N 2 1 290.451 3.130 20 0 CGADMP COCCCC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423090642 371956224 /nfs/dbraw/zinc/95/62/24/371956224.db2.gz XYJUFRJNLCLWLQ-RYQLBKOJSA-N 2 1 290.451 3.275 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccsc1 ZINC000423197725 372021562 /nfs/dbraw/zinc/02/15/62/372021562.db2.gz AUCBDFHGEROKQG-LBPRGKRZSA-N 2 1 252.427 3.450 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423284377 372048356 /nfs/dbraw/zinc/04/83/56/372048356.db2.gz YGDJGKRLXSQUKP-RNCFNFMXSA-N 2 1 287.234 3.426 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000158275664 372062753 /nfs/dbraw/zinc/06/27/53/372062753.db2.gz SBEHPWBQKMZEOR-HKUYNNGSSA-N 2 1 286.463 3.248 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCS2 ZINC000423438980 372063692 /nfs/dbraw/zinc/06/36/92/372063692.db2.gz RWWOENZHKLHBFN-COMQUAJESA-N 2 1 294.851 3.074 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cncs1 ZINC000158653572 372077987 /nfs/dbraw/zinc/07/79/87/372077987.db2.gz TYFKIQSUBFVDFY-MCIONIFRSA-N 2 1 281.469 3.162 20 0 CGADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000424210361 372080405 /nfs/dbraw/zinc/08/04/05/372080405.db2.gz VWWYOBPQKZLHPE-QZWWFDLISA-N 2 1 262.441 3.172 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000424373323 372085768 /nfs/dbraw/zinc/08/57/68/372085768.db2.gz JNBVTQBVJDOCGG-RBSFLKMASA-N 2 1 264.800 3.187 20 0 CGADMP C[C@H](c1nc2ccccc2o1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293036735 372283780 /nfs/dbraw/zinc/28/37/80/372283780.db2.gz RYGAPFFDAOIQPW-RDTXWAMCSA-N 2 1 299.418 3.307 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000429048742 372309443 /nfs/dbraw/zinc/30/94/43/372309443.db2.gz NTZUJUIFZUGFKJ-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000429048742 372309447 /nfs/dbraw/zinc/30/94/47/372309447.db2.gz NTZUJUIFZUGFKJ-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000429048742 372309454 /nfs/dbraw/zinc/30/94/54/372309454.db2.gz NTZUJUIFZUGFKJ-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1C ZINC000429336793 372354759 /nfs/dbraw/zinc/35/47/59/372354759.db2.gz RVVFYFRHRKJOHD-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1C ZINC000429336793 372354760 /nfs/dbraw/zinc/35/47/60/372354760.db2.gz RVVFYFRHRKJOHD-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000293118514 372303368 /nfs/dbraw/zinc/30/33/68/372303368.db2.gz QWGWFJPLLDQARC-LBPRGKRZSA-N 2 1 289.810 3.276 20 0 CGADMP Cc1sccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000293460315 372388604 /nfs/dbraw/zinc/38/86/04/372388604.db2.gz DCVOHYMQWVHXOR-UHFFFAOYSA-N 2 1 266.454 3.409 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC)[C@H](C)C1 ZINC000429427042 372365029 /nfs/dbraw/zinc/36/50/29/372365029.db2.gz NJWMGWTVIOBQRL-CVEARBPZSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163485091 372472946 /nfs/dbraw/zinc/47/29/46/372472946.db2.gz DCHGNUQTFYIYOI-DYEKYZERSA-N 2 1 266.816 3.318 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000293791838 372483450 /nfs/dbraw/zinc/48/34/50/372483450.db2.gz UJLLNIGZVABWLK-UDCKQINGSA-N 2 1 272.436 3.108 20 0 CGADMP CCCCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)CCC ZINC000431069592 372422390 /nfs/dbraw/zinc/42/23/90/372422390.db2.gz MIZXUMAHKWOWIH-ZDUSSCGKSA-N 2 1 296.459 3.444 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000293676575 372446044 /nfs/dbraw/zinc/44/60/44/372446044.db2.gz RBSHIHAKPGARMY-DOTOQJQBSA-N 2 1 290.451 3.033 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000163320830 372461419 /nfs/dbraw/zinc/46/14/19/372461419.db2.gz YVUILFKXOVBJHO-HKUYNNGSSA-N 2 1 286.463 3.248 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)C[NH+](C)C ZINC000293827234 372494682 /nfs/dbraw/zinc/49/46/82/372494682.db2.gz WJAKRMCVAINXAD-STQMWFEESA-N 2 1 260.381 3.281 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c[nH]c21 ZINC000164416764 372517868 /nfs/dbraw/zinc/51/78/68/372517868.db2.gz YTAYCKQEHLQDHT-RLFYNMQTSA-N 2 1 299.462 3.337 20 0 CGADMP CCCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000432347618 372563768 /nfs/dbraw/zinc/56/37/68/372563768.db2.gz NTWZAHWMLWBNMA-WWDZGPRUSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC1CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000432347618 372563775 /nfs/dbraw/zinc/56/37/75/372563775.db2.gz NTWZAHWMLWBNMA-WWDZGPRUSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000294146368 372594956 /nfs/dbraw/zinc/59/49/56/372594956.db2.gz HACAHOYHMWOQLM-GFCCVEGCSA-N 2 1 264.438 3.334 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](CNc2nccc3ccccc32)C1 ZINC000168660759 372615908 /nfs/dbraw/zinc/61/59/08/372615908.db2.gz JJTWNTFTAUBDHY-AWEZNQCLSA-N 2 1 269.392 3.377 20 0 CGADMP CC[C@H](C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434668959 372700540 /nfs/dbraw/zinc/70/05/40/372700540.db2.gz FDOFOKOEIYSRRJ-AWEZNQCLSA-N 2 1 275.440 3.445 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccs1 ZINC000170793784 372665191 /nfs/dbraw/zinc/66/51/91/372665191.db2.gz TWFQIGKYQMRAFH-UHFFFAOYSA-N 2 1 252.427 3.056 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccs1 ZINC000170793784 372665196 /nfs/dbraw/zinc/66/51/96/372665196.db2.gz TWFQIGKYQMRAFH-UHFFFAOYSA-N 2 1 252.427 3.056 20 0 CGADMP c1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435388307 372755349 /nfs/dbraw/zinc/75/53/49/372755349.db2.gz DYRDRZUYDSJMRA-IBGZPJMESA-N 2 1 295.430 3.226 20 0 CGADMP c1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435388307 372755355 /nfs/dbraw/zinc/75/53/55/372755355.db2.gz DYRDRZUYDSJMRA-IBGZPJMESA-N 2 1 295.430 3.226 20 0 CGADMP CC[N@@H+](Cc1ccc2ncccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435393067 372758706 /nfs/dbraw/zinc/75/87/06/372758706.db2.gz YPYKZFQBCVIQGM-KRWDZBQOSA-N 2 1 283.419 3.199 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435392815 372759180 /nfs/dbraw/zinc/75/91/80/372759180.db2.gz XXMCWVXBTGMVLY-OAHLLOKOSA-N 2 1 266.816 3.304 20 0 CGADMP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435600848 372781690 /nfs/dbraw/zinc/78/16/90/372781690.db2.gz GUBRGPDFRDQOIS-INIZCTEOSA-N 2 1 273.424 3.021 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000435875735 372824726 /nfs/dbraw/zinc/82/47/26/372824726.db2.gz UHMKYWJUSKECLR-NVXWUHKLSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)CC[N@@H+]1C ZINC000438106895 372885335 /nfs/dbraw/zinc/88/53/35/372885335.db2.gz SYSHGONIXNKSRJ-TZMCWYRMSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)CC[N@H+]1C ZINC000438106895 372885341 /nfs/dbraw/zinc/88/53/41/372885341.db2.gz SYSHGONIXNKSRJ-TZMCWYRMSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)CC[NH+]1C ZINC000438106895 372885345 /nfs/dbraw/zinc/88/53/45/372885345.db2.gz SYSHGONIXNKSRJ-TZMCWYRMSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)CC[NH+]1C ZINC000438106895 372885349 /nfs/dbraw/zinc/88/53/49/372885349.db2.gz SYSHGONIXNKSRJ-TZMCWYRMSA-N 2 1 289.398 3.222 20 0 CGADMP CC[N@H+](Cc1conc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000353505499 220123478 /nfs/dbraw/zinc/12/34/78/220123478.db2.gz VXVUCEAIHCCVHJ-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP CC[N@@H+](Cc1conc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000353505499 220123479 /nfs/dbraw/zinc/12/34/79/220123479.db2.gz VXVUCEAIHCCVHJ-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCc2nc(Cl)ccc21 ZINC000295856393 372935750 /nfs/dbraw/zinc/93/57/50/372935750.db2.gz GIKKCIHWEMSGKF-CQSZACIVSA-N 2 1 295.858 3.432 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295856393 372935754 /nfs/dbraw/zinc/93/57/54/372935754.db2.gz GIKKCIHWEMSGKF-CQSZACIVSA-N 2 1 295.858 3.432 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295856393 372935757 /nfs/dbraw/zinc/93/57/57/372935757.db2.gz GIKKCIHWEMSGKF-CQSZACIVSA-N 2 1 295.858 3.432 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296016947 372995764 /nfs/dbraw/zinc/99/57/64/372995764.db2.gz RPBFIHVPRVSCPX-FUDCBSFHSA-N 2 1 264.438 3.332 20 0 CGADMP CSc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000172585127 372989661 /nfs/dbraw/zinc/98/96/61/372989661.db2.gz UOIGBSAFMJXISV-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000172585127 372989667 /nfs/dbraw/zinc/98/96/67/372989667.db2.gz UOIGBSAFMJXISV-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000172585127 372989671 /nfs/dbraw/zinc/98/96/71/372989671.db2.gz UOIGBSAFMJXISV-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000172841768 373045991 /nfs/dbraw/zinc/04/59/91/373045991.db2.gz MDYDOEJYXUMHRK-SWLSCSKDSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000172841768 373045997 /nfs/dbraw/zinc/04/59/97/373045997.db2.gz MDYDOEJYXUMHRK-SWLSCSKDSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000172841768 373046004 /nfs/dbraw/zinc/04/60/04/373046004.db2.gz MDYDOEJYXUMHRK-SWLSCSKDSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000172841768 373046005 /nfs/dbraw/zinc/04/60/05/373046005.db2.gz MDYDOEJYXUMHRK-SWLSCSKDSA-N 2 1 266.816 3.255 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000443058031 373145438 /nfs/dbraw/zinc/14/54/38/373145438.db2.gz IWAHZTGLQUILQF-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccccc2CC)C1 ZINC000444652740 373222490 /nfs/dbraw/zinc/22/24/90/373222490.db2.gz SKIRUVSWTFGAHR-QGZVFWFLSA-N 2 1 288.479 3.455 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccccc2CC)C1 ZINC000444652740 373222495 /nfs/dbraw/zinc/22/24/95/373222495.db2.gz SKIRUVSWTFGAHR-QGZVFWFLSA-N 2 1 288.479 3.455 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccc2CC)C1 ZINC000444652740 373222500 /nfs/dbraw/zinc/22/25/00/373222500.db2.gz SKIRUVSWTFGAHR-QGZVFWFLSA-N 2 1 288.479 3.455 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000299036873 373449276 /nfs/dbraw/zinc/44/92/76/373449276.db2.gz MOHPRKXEPOFNKI-LBPRGKRZSA-N 2 1 261.344 3.024 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000299036873 373449284 /nfs/dbraw/zinc/44/92/84/373449284.db2.gz MOHPRKXEPOFNKI-LBPRGKRZSA-N 2 1 261.344 3.024 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000175717401 373507234 /nfs/dbraw/zinc/50/72/34/373507234.db2.gz OTUURHSRFDEJTH-CYBMUJFWSA-N 2 1 280.375 3.360 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448066358 373545896 /nfs/dbraw/zinc/54/58/96/373545896.db2.gz KPHCUPFCFUINQX-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448066358 373545901 /nfs/dbraw/zinc/54/59/01/373545901.db2.gz KPHCUPFCFUINQX-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000448069056 373545919 /nfs/dbraw/zinc/54/59/19/373545919.db2.gz CUWIHWTYPWHLRP-KGLIPLIRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000448069056 373545924 /nfs/dbraw/zinc/54/59/24/373545924.db2.gz CUWIHWTYPWHLRP-KGLIPLIRSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000300454405 373636016 /nfs/dbraw/zinc/63/60/16/373636016.db2.gz ONJFPVVHLYCPLE-WMZOPIPTSA-N 2 1 274.452 3.358 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000300582460 373636425 /nfs/dbraw/zinc/63/64/25/373636425.db2.gz VTKFBARNKSRBGD-YZDRTPDPSA-N 2 1 250.430 3.170 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000300079916 373620279 /nfs/dbraw/zinc/62/02/79/373620279.db2.gz YPLBKEKKVCZBIT-QSPRXWTASA-N 2 1 262.441 3.195 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000300079916 373620283 /nfs/dbraw/zinc/62/02/83/373620283.db2.gz YPLBKEKKVCZBIT-QSPRXWTASA-N 2 1 262.441 3.195 20 0 CGADMP CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449433769 373712539 /nfs/dbraw/zinc/71/25/39/373712539.db2.gz NSVOPSLIGKTHSU-QWHCGFSZSA-N 2 1 281.469 3.121 20 0 CGADMP COCC1CCC([NH2+][C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000449258959 373674126 /nfs/dbraw/zinc/67/41/26/373674126.db2.gz RPDGUZKMMVJXMA-GTPINHCMSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCCOC)C1 ZINC000178077471 373741946 /nfs/dbraw/zinc/74/19/46/373741946.db2.gz CUFNICZJADPWSC-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCCOC)C1 ZINC000178077471 373741953 /nfs/dbraw/zinc/74/19/53/373741953.db2.gz CUFNICZJADPWSC-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP CCOc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000353662570 220236709 /nfs/dbraw/zinc/23/67/09/220236709.db2.gz AJSGUTFYNRHWBN-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000353662570 220236713 /nfs/dbraw/zinc/23/67/13/220236713.db2.gz AJSGUTFYNRHWBN-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000353662570 220236717 /nfs/dbraw/zinc/23/67/17/220236717.db2.gz AJSGUTFYNRHWBN-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000353662570 220236720 /nfs/dbraw/zinc/23/67/20/220236720.db2.gz AJSGUTFYNRHWBN-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000178304756 373764462 /nfs/dbraw/zinc/76/44/62/373764462.db2.gz RIRCXEMXTCMZOI-UBHSHLNASA-N 2 1 281.469 3.283 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000178702818 373806279 /nfs/dbraw/zinc/80/62/79/373806279.db2.gz TVMGLSGSOKFOEZ-RDBSUJKOSA-N 2 1 263.429 3.242 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CC(c2ccccc2)C1 ZINC000449783785 373912300 /nfs/dbraw/zinc/91/23/00/373912300.db2.gz RSISEEMMXYATCG-UHFFFAOYSA-N 2 1 272.436 3.397 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CC(c2ccccc2)C1 ZINC000449783785 373912310 /nfs/dbraw/zinc/91/23/10/373912310.db2.gz RSISEEMMXYATCG-UHFFFAOYSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H]1C[C@H](NC2(c3ccc(F)cc3F)CCC2)CC[N@H+]1C ZINC000179754462 373913135 /nfs/dbraw/zinc/91/31/35/373913135.db2.gz LGJGNVZQNOKLTI-TZMCWYRMSA-N 2 1 294.389 3.416 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CCN1C ZINC000179754462 373913140 /nfs/dbraw/zinc/91/31/40/373913140.db2.gz LGJGNVZQNOKLTI-TZMCWYRMSA-N 2 1 294.389 3.416 20 0 CGADMP C[C@@H](c1cccc(O)c1)N(C)Cc1cccc2nccn21 ZINC000180178812 373974370 /nfs/dbraw/zinc/97/43/70/373974370.db2.gz FRYVAGDWKVZWCS-ZDUSSCGKSA-N 2 1 281.359 3.233 20 0 CGADMP CCCCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000181425902 374122545 /nfs/dbraw/zinc/12/25/45/374122545.db2.gz MHRWWKZOXUXUOG-SJORKVTESA-N 2 1 294.483 3.187 20 0 CGADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000450437546 374129210 /nfs/dbraw/zinc/12/92/10/374129210.db2.gz LBQPKCUEUYLTJU-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1=CCCC1 ZINC000308767064 374180633 /nfs/dbraw/zinc/18/06/33/374180633.db2.gz GAOWNEWIZWZQNJ-HOTGVXAUSA-N 2 1 262.441 3.339 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448770 374136969 /nfs/dbraw/zinc/13/69/69/374136969.db2.gz DKZXDDGUTJWBQV-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462536 374146153 /nfs/dbraw/zinc/14/61/53/374146153.db2.gz HEXJMMLWLJIHHX-GJZGRUSLSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462536 374146159 /nfs/dbraw/zinc/14/61/59/374146159.db2.gz HEXJMMLWLJIHHX-GJZGRUSLSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462536 374146165 /nfs/dbraw/zinc/14/61/65/374146165.db2.gz HEXJMMLWLJIHHX-GJZGRUSLSA-N 2 1 288.426 3.476 20 0 CGADMP C1=C(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450605214 374165462 /nfs/dbraw/zinc/16/54/62/374165462.db2.gz YUONRRHPSJPHHY-AEFFLSMTSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450605214 374165466 /nfs/dbraw/zinc/16/54/66/374165466.db2.gz YUONRRHPSJPHHY-AEFFLSMTSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000450605214 374165468 /nfs/dbraw/zinc/16/54/68/374165468.db2.gz YUONRRHPSJPHHY-AEFFLSMTSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000450605214 374165471 /nfs/dbraw/zinc/16/54/71/374165471.db2.gz YUONRRHPSJPHHY-AEFFLSMTSA-N 2 1 274.452 3.436 20 0 CGADMP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000182059874 374211690 /nfs/dbraw/zinc/21/16/90/374211690.db2.gz YALFEIJAUUFAIQ-WMZOPIPTSA-N 2 1 290.451 3.466 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000310287029 374212961 /nfs/dbraw/zinc/21/29/61/374212961.db2.gz JFOCXWYPLRLQHD-LLVKDONJSA-N 2 1 272.845 3.221 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000310287029 374212968 /nfs/dbraw/zinc/21/29/68/374212968.db2.gz JFOCXWYPLRLQHD-LLVKDONJSA-N 2 1 272.845 3.221 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000311946534 374261916 /nfs/dbraw/zinc/26/19/16/374261916.db2.gz IUNSPQPPBJGWFG-AWEZNQCLSA-N 2 1 257.381 3.159 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000311237117 374237735 /nfs/dbraw/zinc/23/77/35/374237735.db2.gz WXGXVTZXHNNYKQ-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cc(Cl)sc1Cl ZINC000312602931 374284142 /nfs/dbraw/zinc/28/41/42/374284142.db2.gz NNDIEEJZIRYBDX-WCBMZHEXSA-N 2 1 293.263 3.485 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000328174791 374361032 /nfs/dbraw/zinc/36/10/32/374361032.db2.gz LMWLKKRQAJIISO-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000183047350 374362087 /nfs/dbraw/zinc/36/20/87/374362087.db2.gz PNCOAPHDAWNNMC-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000453059047 374363185 /nfs/dbraw/zinc/36/31/85/374363185.db2.gz HZBRBRYBIKFULW-BBWFWOEESA-N 2 1 262.441 3.172 20 0 CGADMP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000453247726 374371686 /nfs/dbraw/zinc/37/16/86/374371686.db2.gz FAGQALSEVWWNHF-SQNIBIBYSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cccc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322446634 374353394 /nfs/dbraw/zinc/35/33/94/374353394.db2.gz SWFMMDWRTSOVMR-MQVJKMGUSA-N 2 1 258.409 3.018 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c(C)c1 ZINC000453260327 374377259 /nfs/dbraw/zinc/37/72/59/374377259.db2.gz XTWANPHYRCVMKF-IAGOWNOFSA-N 2 1 286.463 3.407 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccncc1 ZINC000183184140 374381334 /nfs/dbraw/zinc/38/13/34/374381334.db2.gz OPPLLRFPRDQTMF-HLLBOEOZSA-N 2 1 287.451 3.385 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000084667529 541935313 /nfs/dbraw/zinc/93/53/13/541935313.db2.gz QZALBGFNRYDIMG-UHFFFAOYSA-N 2 1 276.424 3.002 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000084667529 541935322 /nfs/dbraw/zinc/93/53/22/541935322.db2.gz QZALBGFNRYDIMG-UHFFFAOYSA-N 2 1 276.424 3.002 20 0 CGADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453332536 374425755 /nfs/dbraw/zinc/42/57/55/374425755.db2.gz AWZTZBQOYMSSHJ-OPDWSJPZSA-N 2 1 288.410 3.274 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2occc21)C1CC1 ZINC000453390718 374472345 /nfs/dbraw/zinc/47/23/45/374472345.db2.gz DGGLMZXSPDGQQO-OAHLLOKOSA-N 2 1 262.397 3.121 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453417782 374475197 /nfs/dbraw/zinc/47/51/97/374475197.db2.gz YAQCJEDHRVCIKX-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000334182083 206154467 /nfs/dbraw/zinc/15/44/67/206154467.db2.gz DZHZVVNLZOXZPL-SFHVURJKSA-N 2 1 287.451 3.041 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000334182083 206154471 /nfs/dbraw/zinc/15/44/71/206154471.db2.gz DZHZVVNLZOXZPL-SFHVURJKSA-N 2 1 287.451 3.041 20 0 CGADMP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000334182083 206154472 /nfs/dbraw/zinc/15/44/72/206154472.db2.gz DZHZVVNLZOXZPL-SFHVURJKSA-N 2 1 287.451 3.041 20 0 CGADMP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000334182083 206154477 /nfs/dbraw/zinc/15/44/77/206154477.db2.gz DZHZVVNLZOXZPL-SFHVURJKSA-N 2 1 287.451 3.041 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000090403007 541959865 /nfs/dbraw/zinc/95/98/65/541959865.db2.gz BFUWAIJMQZAASF-MJBXVCDLSA-N 2 1 295.496 3.470 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000090403007 541959870 /nfs/dbraw/zinc/95/98/70/541959870.db2.gz BFUWAIJMQZAASF-MJBXVCDLSA-N 2 1 295.496 3.470 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCCc2cccnc21)C[NH+]1CCCCC1 ZINC000091661222 541967499 /nfs/dbraw/zinc/96/74/99/541967499.db2.gz JAQWJHQWHGGNFT-RDJZCZTQSA-N 2 1 287.451 3.171 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(F)c1 ZINC000334413100 374729745 /nfs/dbraw/zinc/72/97/45/374729745.db2.gz MHZJUYTWWUDHBU-ONGXEEELSA-N 2 1 293.773 3.410 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186319245 374831917 /nfs/dbraw/zinc/83/19/17/374831917.db2.gz ZDQUTVOXYJHTFY-IRXDYDNUSA-N 2 1 293.455 3.155 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528253 541987765 /nfs/dbraw/zinc/98/77/65/541987765.db2.gz QADILYZGGUULHW-DZGCQCFKSA-N 2 1 258.409 3.123 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000187066974 374965916 /nfs/dbraw/zinc/96/59/16/374965916.db2.gz YRKAIPSJNZIKRX-SFHVURJKSA-N 2 1 287.451 3.149 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000187066974 374965921 /nfs/dbraw/zinc/96/59/21/374965921.db2.gz YRKAIPSJNZIKRX-SFHVURJKSA-N 2 1 287.451 3.149 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000334735519 375017685 /nfs/dbraw/zinc/01/76/85/375017685.db2.gz QAHWIFQRTOCVDY-YPMHNXCESA-N 2 1 289.810 3.057 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000474275078 375094158 /nfs/dbraw/zinc/09/41/58/375094158.db2.gz OFMMBWNELXRXDQ-FUHWJXTLSA-N 2 1 274.452 3.310 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(SCC)c2)CC1 ZINC000187790102 375094554 /nfs/dbraw/zinc/09/45/54/375094554.db2.gz YOHSFGCJBQCPMZ-UHFFFAOYSA-N 2 1 293.480 3.158 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000334984637 375051134 /nfs/dbraw/zinc/05/11/34/375051134.db2.gz GEAJMNHBJDOOBI-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP FC(F)c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000334996174 375060820 /nfs/dbraw/zinc/06/08/20/375060820.db2.gz KZVDPFBIGARQSZ-GASCZTMLSA-N 2 1 280.362 3.056 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000483142200 375176081 /nfs/dbraw/zinc/17/60/81/375176081.db2.gz USCXVDNDWHJQGN-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000474619043 375121123 /nfs/dbraw/zinc/12/11/23/375121123.db2.gz XGXPQMLGBREGBE-OWCLPIDISA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000474615381 375121838 /nfs/dbraw/zinc/12/18/38/375121838.db2.gz JGSBBHOEXFGZBH-PMPSAXMXSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CCSC2)C1 ZINC000487271269 375214632 /nfs/dbraw/zinc/21/46/32/375214632.db2.gz QMBPRFNSPZVYBC-CABCVRRESA-N 2 1 284.513 3.230 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CCSC2)C1 ZINC000487271269 375214637 /nfs/dbraw/zinc/21/46/37/375214637.db2.gz QMBPRFNSPZVYBC-CABCVRRESA-N 2 1 284.513 3.230 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000189111733 375327234 /nfs/dbraw/zinc/32/72/34/375327234.db2.gz UWIWOBBMDCSZCM-DZGCQCFKSA-N 2 1 261.413 3.140 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000189051115 375316639 /nfs/dbraw/zinc/31/66/39/375316639.db2.gz GCXUKXFZDGFRAP-GUDVDZBRSA-N 2 1 286.463 3.329 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000189115121 375327879 /nfs/dbraw/zinc/32/78/79/375327879.db2.gz ZGAGXDUJQZFSBO-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000189115121 375327886 /nfs/dbraw/zinc/32/78/86/375327886.db2.gz ZGAGXDUJQZFSBO-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000189115121 375327891 /nfs/dbraw/zinc/32/78/91/375327891.db2.gz ZGAGXDUJQZFSBO-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000189504063 375398934 /nfs/dbraw/zinc/39/89/34/375398934.db2.gz LAEJSENUDITVLB-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000189504063 375398941 /nfs/dbraw/zinc/39/89/41/375398941.db2.gz LAEJSENUDITVLB-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000189504063 375398947 /nfs/dbraw/zinc/39/89/47/375398947.db2.gz LAEJSENUDITVLB-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000189504063 375398952 /nfs/dbraw/zinc/39/89/52/375398952.db2.gz LAEJSENUDITVLB-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000335910561 375533107 /nfs/dbraw/zinc/53/31/07/375533107.db2.gz HZMKHCCHRPCXDJ-GFCCVEGCSA-N 2 1 293.773 3.202 20 0 CGADMP Cn1ccnc1[C@@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000335910561 375533114 /nfs/dbraw/zinc/53/31/14/375533114.db2.gz HZMKHCCHRPCXDJ-GFCCVEGCSA-N 2 1 293.773 3.202 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000493530471 375473925 /nfs/dbraw/zinc/47/39/25/375473925.db2.gz RWUZSRWJAHZOPY-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cnn1C(C)C ZINC000191349630 375614580 /nfs/dbraw/zinc/61/45/80/375614580.db2.gz UILLBSMURXSJIY-AWEZNQCLSA-N 2 1 292.471 3.296 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000120979340 542014054 /nfs/dbraw/zinc/01/40/54/542014054.db2.gz MCECMHPZSSCPKB-QGZVFWFLSA-N 2 1 292.373 3.169 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C1CCCCC1 ZINC000502269770 375643599 /nfs/dbraw/zinc/64/35/99/375643599.db2.gz PUYPKDNSFZEXDR-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C1CCCCC1 ZINC000502269770 375643603 /nfs/dbraw/zinc/64/36/03/375643603.db2.gz PUYPKDNSFZEXDR-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Cl)cs1 ZINC000193124446 375830521 /nfs/dbraw/zinc/83/05/21/375830521.db2.gz HLADZXPDJLGHLO-UHFFFAOYSA-N 2 1 283.828 3.476 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000519484257 375840165 /nfs/dbraw/zinc/84/01/65/375840165.db2.gz CFTFJZRSTGUSQJ-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000519484257 375840174 /nfs/dbraw/zinc/84/01/74/375840174.db2.gz CFTFJZRSTGUSQJ-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193296650 375854190 /nfs/dbraw/zinc/85/41/90/375854190.db2.gz YRJNFYOMGZHDHG-GOOCMWNKSA-N 2 1 284.403 3.456 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193296650 375854196 /nfs/dbraw/zinc/85/41/96/375854196.db2.gz YRJNFYOMGZHDHG-GOOCMWNKSA-N 2 1 284.403 3.456 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346018086 217779764 /nfs/dbraw/zinc/77/97/64/217779764.db2.gz QMWNCFWQVKBPAD-IAGOWNOFSA-N 2 1 290.476 3.135 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccco1)C(C)C ZINC000336819812 375976962 /nfs/dbraw/zinc/97/69/62/375976962.db2.gz ARFYOUSXSGRLFT-UHFFFAOYSA-N 2 1 275.396 3.475 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccco1)C(C)C ZINC000336819812 375976967 /nfs/dbraw/zinc/97/69/67/375976967.db2.gz ARFYOUSXSGRLFT-UHFFFAOYSA-N 2 1 275.396 3.475 20 0 CGADMP C[N@@H+](CCC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336723345 375921562 /nfs/dbraw/zinc/92/15/62/375921562.db2.gz WCXNJDKHFCBSIF-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](CCC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723345 375921565 /nfs/dbraw/zinc/92/15/65/375921565.db2.gz WCXNJDKHFCBSIF-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](CCC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723345 375921571 /nfs/dbraw/zinc/92/15/71/375921571.db2.gz WCXNJDKHFCBSIF-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1[nH+]ccn1CCCCn1cnc2c1C[C@H](C)[C@@H](C)C2 ZINC000336849662 376011257 /nfs/dbraw/zinc/01/12/57/376011257.db2.gz SLRDQAWOLXRZGL-KBPBESRZSA-N 2 1 286.423 3.239 20 0 CGADMP C[N@H+](Cc1ccnc2ccccc12)C[C@H]1CCC[NH+](C)C1 ZINC000535078406 376022244 /nfs/dbraw/zinc/02/22/44/376022244.db2.gz YHLLTHACHWNBKM-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccnc2ccccc12)C[C@H]1CCC[N@H+](C)C1 ZINC000535078406 376022247 /nfs/dbraw/zinc/02/22/47/376022247.db2.gz YHLLTHACHWNBKM-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccnc2ccccc12)C[C@H]1CCC[N@@H+](C)C1 ZINC000535078406 376022250 /nfs/dbraw/zinc/02/22/50/376022250.db2.gz YHLLTHACHWNBKM-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)s1 ZINC000536682621 376121306 /nfs/dbraw/zinc/12/13/06/376121306.db2.gz MXSQWYRMIPMCFV-UHFFFAOYSA-N 2 1 266.454 3.139 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000536652215 376109985 /nfs/dbraw/zinc/10/99/85/376109985.db2.gz VQTLPKFYOKIXOR-UHFFFAOYSA-N 2 1 264.413 3.140 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000337178597 376117994 /nfs/dbraw/zinc/11/79/94/376117994.db2.gz KUXVDJBVEXLJJR-MRXNPFEDSA-N 2 1 284.488 3.245 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)CC(C)C ZINC000337195495 376129878 /nfs/dbraw/zinc/12/98/78/376129878.db2.gz WUBTZPVXHHYOOR-AWEZNQCLSA-N 2 1 251.418 3.196 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)CC(C)C ZINC000337195495 376129882 /nfs/dbraw/zinc/12/98/82/376129882.db2.gz WUBTZPVXHHYOOR-AWEZNQCLSA-N 2 1 251.418 3.196 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)[C@@H](C)C1 ZINC000536857917 376137425 /nfs/dbraw/zinc/13/74/25/376137425.db2.gz MIVHFENRJHUXIJ-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537306516 376163116 /nfs/dbraw/zinc/16/31/16/376163116.db2.gz GVZUWAHRVCDKQS-NVXWUHKLSA-N 2 1 260.425 3.285 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217522161 376174765 /nfs/dbraw/zinc/17/47/65/376174765.db2.gz GBOORGCJGUMORA-NEPJUHHUSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217522161 376174773 /nfs/dbraw/zinc/17/47/73/376174773.db2.gz GBOORGCJGUMORA-NEPJUHHUSA-N 2 1 252.789 3.072 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337272578 376184463 /nfs/dbraw/zinc/18/44/63/376184463.db2.gz CFNACMXGAHDZEP-OAGGEKHMSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@H]3CCC34CCC4)CC2)[nH+]c1 ZINC000337396010 376219331 /nfs/dbraw/zinc/21/93/31/376219331.db2.gz BUOHLIOAOQNBCU-INIZCTEOSA-N 2 1 285.435 3.281 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(Br)c1 ZINC000221782358 376221131 /nfs/dbraw/zinc/22/11/31/376221131.db2.gz KTLYAAMASOCOLM-UHFFFAOYSA-N 2 1 299.256 3.269 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(Br)c1 ZINC000221782358 376221135 /nfs/dbraw/zinc/22/11/35/376221135.db2.gz KTLYAAMASOCOLM-UHFFFAOYSA-N 2 1 299.256 3.269 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226330982 376353275 /nfs/dbraw/zinc/35/32/75/376353275.db2.gz HUYFFULLRLBEAO-SGMGOOAPSA-N 2 1 298.377 3.408 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000226331845 376353383 /nfs/dbraw/zinc/35/33/83/376353383.db2.gz UORCRGKXFCZTGA-QGZVFWFLSA-N 2 1 276.424 3.090 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000226331845 376353386 /nfs/dbraw/zinc/35/33/86/376353386.db2.gz UORCRGKXFCZTGA-QGZVFWFLSA-N 2 1 276.424 3.090 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435416 376359374 /nfs/dbraw/zinc/35/93/74/376359374.db2.gz ZYHZLFPNTUMSDR-ZIAGYGMSSA-N 2 1 272.392 3.425 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC[NH2+]C1 ZINC000226434855 376359674 /nfs/dbraw/zinc/35/96/74/376359674.db2.gz XUTXSAFGCXWZFK-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC[NH2+]C1 ZINC000226434855 376359677 /nfs/dbraw/zinc/35/96/77/376359677.db2.gz XUTXSAFGCXWZFK-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000226449881 376361481 /nfs/dbraw/zinc/36/14/81/376361481.db2.gz GCVUIJVUYWVCKO-QGZVFWFLSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000540194972 376366593 /nfs/dbraw/zinc/36/65/93/376366593.db2.gz MRPVLVDHWMNZBT-KXBFYZLASA-N 2 1 298.430 3.148 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000226927202 376377355 /nfs/dbraw/zinc/37/73/55/376377355.db2.gz SNJWBCUCAALJFI-WMLDXEAASA-N 2 1 260.425 3.369 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000227158155 376384694 /nfs/dbraw/zinc/38/46/94/376384694.db2.gz MCDPXEGVROTIMG-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000227188113 376386610 /nfs/dbraw/zinc/38/66/10/376386610.db2.gz QGCBBELWFPJINO-IRXDYDNUSA-N 2 1 290.451 3.132 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000228333856 376435085 /nfs/dbraw/zinc/43/50/85/376435085.db2.gz FFUNKEJNXNFPHH-WBVHZDCISA-N 2 1 260.425 3.042 20 0 CGADMP Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000230004347 376480397 /nfs/dbraw/zinc/48/03/97/376480397.db2.gz PLLIISQVZNXXTQ-UHFFFAOYSA-N 2 1 274.433 3.408 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC000229031011 376457994 /nfs/dbraw/zinc/45/79/94/376457994.db2.gz ZYMLZPMCRMKORN-PSOPSSQASA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC000229031011 376458005 /nfs/dbraw/zinc/45/80/05/376458005.db2.gz ZYMLZPMCRMKORN-PSOPSSQASA-N 2 1 282.790 3.038 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4cc(F)ccc43)C2)C1 ZINC000338742638 376510970 /nfs/dbraw/zinc/51/09/70/376510970.db2.gz GIWATPOEEWSVMI-GOSISDBHSA-N 2 1 299.393 3.296 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4cc(F)ccc43)C2)C1 ZINC000338742638 376510978 /nfs/dbraw/zinc/51/09/78/376510978.db2.gz GIWATPOEEWSVMI-GOSISDBHSA-N 2 1 299.393 3.296 20 0 CGADMP COc1ccc(CNCCC[N@@H+](C)C(C)C)cc1Cl ZINC000230639680 376522506 /nfs/dbraw/zinc/52/25/06/376522506.db2.gz DQJQXTRHHJXRPS-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1Cl ZINC000230639680 376522513 /nfs/dbraw/zinc/52/25/13/376522513.db2.gz DQJQXTRHHJXRPS-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1Cl ZINC000230639680 376522520 /nfs/dbraw/zinc/52/25/20/376522520.db2.gz DQJQXTRHHJXRPS-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+]C(C2CCC2)C2CCC2)CCCO1 ZINC000338778267 376528660 /nfs/dbraw/zinc/52/86/60/376528660.db2.gz KBRRYAYUNLFDIN-OAHLLOKOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C(C2CCC2)C2CCC2)CCCO1 ZINC000338778267 376528668 /nfs/dbraw/zinc/52/86/68/376528668.db2.gz KBRRYAYUNLFDIN-OAHLLOKOSA-N 2 1 294.483 3.046 20 0 CGADMP CCN1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000543398616 376634844 /nfs/dbraw/zinc/63/48/44/376634844.db2.gz VICINWPAYQPBBV-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000543398616 376634851 /nfs/dbraw/zinc/63/48/51/376634851.db2.gz VICINWPAYQPBBV-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000543398616 376634859 /nfs/dbraw/zinc/63/48/59/376634859.db2.gz VICINWPAYQPBBV-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000543843063 376682226 /nfs/dbraw/zinc/68/22/26/376682226.db2.gz NDXQZVNNOWZYCD-GJYPPUQNSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCc3ccccc3C2)CC[N@H+]1C ZINC000543843063 376682232 /nfs/dbraw/zinc/68/22/32/376682232.db2.gz NDXQZVNNOWZYCD-GJYPPUQNSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCc3ccccc3C2)CC[NH+]1C ZINC000543843063 376682237 /nfs/dbraw/zinc/68/22/37/376682237.db2.gz NDXQZVNNOWZYCD-GJYPPUQNSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCc3ccccc3C2)CC[NH+]1C ZINC000543843063 376682242 /nfs/dbraw/zinc/68/22/42/376682242.db2.gz NDXQZVNNOWZYCD-GJYPPUQNSA-N 2 1 286.463 3.206 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000544406835 376731481 /nfs/dbraw/zinc/73/14/81/376731481.db2.gz IVKXTCPJPMPWSK-INIZCTEOSA-N 2 1 262.441 3.187 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000544406835 376731487 /nfs/dbraw/zinc/73/14/87/376731487.db2.gz IVKXTCPJPMPWSK-INIZCTEOSA-N 2 1 262.441 3.187 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCOC1CCCCCC1)CC2 ZINC000544127665 376706667 /nfs/dbraw/zinc/70/66/67/376706667.db2.gz PABQBBYTVCKRTP-UHFFFAOYSA-N 2 1 294.483 3.286 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCOC1CCCCCC1)CC2 ZINC000544127665 376706677 /nfs/dbraw/zinc/70/66/77/376706677.db2.gz PABQBBYTVCKRTP-UHFFFAOYSA-N 2 1 294.483 3.286 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000245225190 376801519 /nfs/dbraw/zinc/80/15/19/376801519.db2.gz PJOZBPVWDOJYQC-HLLBOEOZSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[NH+]1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157847586 542139793 /nfs/dbraw/zinc/13/97/93/542139793.db2.gz VWZUFGVJMXWRMG-KRWDZBQOSA-N 3 1 295.515 3.105 20 0 CGADMP CCCN1CCC([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157847586 542139795 /nfs/dbraw/zinc/13/97/95/542139795.db2.gz VWZUFGVJMXWRMG-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CCCN1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157847586 542139801 /nfs/dbraw/zinc/13/98/01/542139801.db2.gz VWZUFGVJMXWRMG-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000245505484 376835478 /nfs/dbraw/zinc/83/54/78/376835478.db2.gz MFFQDQLCQZRMIC-BFYDXBDKSA-N 2 1 272.436 3.475 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550123160 376845134 /nfs/dbraw/zinc/84/51/34/376845134.db2.gz PEICUJZIMAGNJB-KBXCAEBGSA-N 2 1 272.436 3.384 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000556762187 376876278 /nfs/dbraw/zinc/87/62/78/376876278.db2.gz KGRFVOVONBCINM-NXHRZFHOSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000556783000 376878813 /nfs/dbraw/zinc/87/88/13/376878813.db2.gz IGSUDXPPJSIWRD-UONOGXRCSA-N 2 1 266.454 3.001 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCC(F)(F)C1 ZINC000340281522 376979820 /nfs/dbraw/zinc/97/98/20/376979820.db2.gz WJDXHXPUQZQRDG-KBPBESRZSA-N 2 1 274.399 3.228 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCC(F)(F)C1 ZINC000340281522 376979824 /nfs/dbraw/zinc/97/98/24/376979824.db2.gz WJDXHXPUQZQRDG-KBPBESRZSA-N 2 1 274.399 3.228 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000556934107 376908338 /nfs/dbraw/zinc/90/83/38/376908338.db2.gz SHDWFIIMOZVPIQ-JQHSSLGASA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000556934107 376908344 /nfs/dbraw/zinc/90/83/44/376908344.db2.gz SHDWFIIMOZVPIQ-JQHSSLGASA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000556934107 376908351 /nfs/dbraw/zinc/90/83/51/376908351.db2.gz SHDWFIIMOZVPIQ-JQHSSLGASA-N 2 1 276.468 3.397 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000245885395 376925574 /nfs/dbraw/zinc/92/55/74/376925574.db2.gz BPMPUBOIRWPKIS-TWPTVVAISA-N 2 1 296.499 3.289 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244018 376960953 /nfs/dbraw/zinc/96/09/53/376960953.db2.gz KFIPYIYDKBZSRR-CWRNSKLLSA-N 2 1 278.465 3.163 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244018 376960963 /nfs/dbraw/zinc/96/09/63/376960963.db2.gz KFIPYIYDKBZSRR-CWRNSKLLSA-N 2 1 278.465 3.163 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246118445 376969711 /nfs/dbraw/zinc/96/97/11/376969711.db2.gz IWDNXDAKKLDOOX-WFASDCNBSA-N 2 1 266.816 3.160 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2)C1 ZINC000558419299 377008194 /nfs/dbraw/zinc/00/81/94/377008194.db2.gz SKXDFYSKXAPEEP-NVXWUHKLSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C[C@H]1C ZINC000246937839 377122003 /nfs/dbraw/zinc/12/20/03/377122003.db2.gz OBKOANDYDVABLK-VTMBPIDISA-N 2 1 252.446 3.129 20 0 CGADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CCC1 ZINC000246581896 377056115 /nfs/dbraw/zinc/05/61/15/377056115.db2.gz YSGURRNBFJPPQP-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1F ZINC000246777305 377087380 /nfs/dbraw/zinc/08/73/80/377087380.db2.gz QCLHZWUCQXMLCD-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1F ZINC000246777305 377087384 /nfs/dbraw/zinc/08/73/84/377087384.db2.gz QCLHZWUCQXMLCD-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1F ZINC000246777305 377087388 /nfs/dbraw/zinc/08/73/88/377087388.db2.gz QCLHZWUCQXMLCD-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1F ZINC000246777305 377087390 /nfs/dbraw/zinc/08/73/90/377087390.db2.gz QCLHZWUCQXMLCD-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1F ZINC000246777305 377087392 /nfs/dbraw/zinc/08/73/92/377087392.db2.gz QCLHZWUCQXMLCD-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000246992455 377133427 /nfs/dbraw/zinc/13/34/27/377133427.db2.gz KHCKSYIPTYLDQK-LBTNJELSSA-N 2 1 290.426 3.381 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000247008784 377138914 /nfs/dbraw/zinc/13/89/14/377138914.db2.gz KGSYORZOLLUYOG-MELADBBJSA-N 2 1 264.388 3.349 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000247081848 377154935 /nfs/dbraw/zinc/15/49/35/377154935.db2.gz ZFISUOWMKLCHHA-QGGMXYOTSA-N 2 1 250.430 3.026 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2c(C)cccc2C)[C@@H](C)C1 ZINC000247098343 377160745 /nfs/dbraw/zinc/16/07/45/377160745.db2.gz SCXJAPWCJANXDD-DLBZAZTESA-N 2 1 290.451 3.002 20 0 CGADMP COc1ccccc1[C@@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000247155500 377170268 /nfs/dbraw/zinc/17/02/68/377170268.db2.gz XHYCSGZCXJHHLN-HZPDHXFCSA-N 2 1 290.451 3.466 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000247155500 377170272 /nfs/dbraw/zinc/17/02/72/377170272.db2.gz XHYCSGZCXJHHLN-HZPDHXFCSA-N 2 1 290.451 3.466 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000247155500 377170275 /nfs/dbraw/zinc/17/02/75/377170275.db2.gz XHYCSGZCXJHHLN-HZPDHXFCSA-N 2 1 290.451 3.466 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000247180666 377171953 /nfs/dbraw/zinc/17/19/53/377171953.db2.gz VENVBUKZZVTCEU-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2cccs2)[C@@H](C)C1 ZINC000247256125 377186338 /nfs/dbraw/zinc/18/63/38/377186338.db2.gz YSUIRTDOVGYHEF-YCPHGPKFSA-N 2 1 280.481 3.247 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000247527182 377218786 /nfs/dbraw/zinc/21/87/86/377218786.db2.gz NXEYZKHULFSHBM-SJORKVTESA-N 2 1 272.436 3.474 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000561403752 377225003 /nfs/dbraw/zinc/22/50/03/377225003.db2.gz VOPIWVDEWNTDSW-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000561403752 377225008 /nfs/dbraw/zinc/22/50/08/377225008.db2.gz VOPIWVDEWNTDSW-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000247982212 377251357 /nfs/dbraw/zinc/25/13/57/377251357.db2.gz ILXSTSUIUYLRNC-GHJWDPDVSA-N 2 1 282.378 3.488 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000247982212 377251363 /nfs/dbraw/zinc/25/13/63/377251363.db2.gz ILXSTSUIUYLRNC-GHJWDPDVSA-N 2 1 282.378 3.488 20 0 CGADMP C[C@@H](CC[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000340672126 377204417 /nfs/dbraw/zinc/20/44/17/377204417.db2.gz HNTGCQOTUBYNKF-INIZCTEOSA-N 2 1 272.436 3.256 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCc2ccccc21 ZINC000562187007 377282625 /nfs/dbraw/zinc/28/26/25/377282625.db2.gz QRSGFZMCTMBFTH-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCc2ccccc21 ZINC000562187007 377282630 /nfs/dbraw/zinc/28/26/30/377282630.db2.gz QRSGFZMCTMBFTH-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCc2ccccc21 ZINC000562187007 377282636 /nfs/dbraw/zinc/28/26/36/377282636.db2.gz QRSGFZMCTMBFTH-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCc2ccccc21 ZINC000562187007 377282641 /nfs/dbraw/zinc/28/26/41/377282641.db2.gz QRSGFZMCTMBFTH-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP C1=C(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248689911 377381457 /nfs/dbraw/zinc/38/14/57/377381457.db2.gz AOUNWJNLVUGXDI-SJORKVTESA-N 2 1 262.441 3.483 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Cl ZINC000248551677 377344575 /nfs/dbraw/zinc/34/45/75/377344575.db2.gz KQMXWSLFKZBXGK-JSGCOSHPSA-N 2 1 266.816 3.221 20 0 CGADMP C[NH+](C)CC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000341190464 377439122 /nfs/dbraw/zinc/43/91/22/377439122.db2.gz NDKYZZDNEKZABY-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000563351188 377445723 /nfs/dbraw/zinc/44/57/23/377445723.db2.gz XAUFZNSMYGHCKQ-HOCLYGCPSA-N 2 1 276.424 3.033 20 0 CGADMP CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249035508 377446010 /nfs/dbraw/zinc/44/60/10/377446010.db2.gz SIFOZMCCPPPVGE-BJWYYQGGSA-N 2 1 258.409 3.182 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249036339 377446317 /nfs/dbraw/zinc/44/63/17/377446317.db2.gz STBOVCCGZNPZHI-BFZKSOEOSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000248831914 377408511 /nfs/dbraw/zinc/40/85/11/377408511.db2.gz HRSYLXCPJTUJRF-HOTGVXAUSA-N 2 1 260.425 3.064 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249086285 377458647 /nfs/dbraw/zinc/45/86/47/377458647.db2.gz BYIJDFYPBRGJGN-RDBSUJKOSA-N 2 1 292.389 3.429 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341248283 377463375 /nfs/dbraw/zinc/46/33/75/377463375.db2.gz XLWITBBVQKYQLU-SQWLQELKSA-N 2 1 292.492 3.412 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341248283 377463384 /nfs/dbraw/zinc/46/33/84/377463384.db2.gz XLWITBBVQKYQLU-SQWLQELKSA-N 2 1 292.492 3.412 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000249120565 377464975 /nfs/dbraw/zinc/46/49/75/377464975.db2.gz TYEUSVXVDMQPCM-IXDOHACOSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000249120565 377464982 /nfs/dbraw/zinc/46/49/82/377464982.db2.gz TYEUSVXVDMQPCM-IXDOHACOSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000249120565 377464984 /nfs/dbraw/zinc/46/49/84/377464984.db2.gz TYEUSVXVDMQPCM-IXDOHACOSA-N 2 1 264.457 3.252 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000563442444 377468065 /nfs/dbraw/zinc/46/80/65/377468065.db2.gz JCWZISCDHSYBFZ-RBUKOAKNSA-N 2 1 298.474 3.473 20 0 CGADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000249132237 377469521 /nfs/dbraw/zinc/46/95/21/377469521.db2.gz SSTHBJKPHFHZLX-OTWHNJEPSA-N 2 1 298.474 3.472 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249194716 377477022 /nfs/dbraw/zinc/47/70/22/377477022.db2.gz QEDCEWSAYTUCHE-CVEARBPZSA-N 2 1 292.442 3.467 20 0 CGADMP Cc1nccnc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000249203572 377479077 /nfs/dbraw/zinc/47/90/77/377479077.db2.gz USKPELCAXGRDBZ-HUUCEWRRSA-N 2 1 290.455 3.090 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249246428 377480353 /nfs/dbraw/zinc/48/03/53/377480353.db2.gz BDDZCWAVRMCNBD-UHOSZYNNSA-N 2 1 286.463 3.380 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000090721560 249029105 /nfs/dbraw/zinc/02/91/05/249029105.db2.gz ZVGTZUQHRRNZMQ-KDOFPFPSSA-N 2 1 268.404 3.412 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000265107701 190158278 /nfs/dbraw/zinc/15/82/78/190158278.db2.gz BIDOTUXKODPGQP-QGZVFWFLSA-N 2 1 282.431 3.266 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093515536 249037805 /nfs/dbraw/zinc/03/78/05/249037805.db2.gz TXJFDTJTCDXYOB-AEFFLSMTSA-N 3 1 295.515 3.151 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000094896159 249043141 /nfs/dbraw/zinc/04/31/41/249043141.db2.gz IJJHTABHENFJQK-SFHVURJKSA-N 2 1 286.463 3.459 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)Cc1ccsc1 ZINC000249595149 377515718 /nfs/dbraw/zinc/51/57/18/377515718.db2.gz WQGKOJWUXWAGPR-GDBMZVCRSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)Cc1ccsc1 ZINC000249595149 377515729 /nfs/dbraw/zinc/51/57/29/377515729.db2.gz WQGKOJWUXWAGPR-GDBMZVCRSA-N 2 1 280.481 3.485 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166482191 542174771 /nfs/dbraw/zinc/17/47/71/542174771.db2.gz DMWOGQURYHCRNT-ZWKOTPCHSA-N 2 1 286.463 3.489 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1 ZINC000249962542 377544160 /nfs/dbraw/zinc/54/41/60/377544160.db2.gz WNCHDPTZTGKMCX-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1 ZINC000249962542 377544170 /nfs/dbraw/zinc/54/41/70/377544170.db2.gz WNCHDPTZTGKMCX-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)ccc2n1 ZINC000249962542 377544178 /nfs/dbraw/zinc/54/41/78/377544178.db2.gz WNCHDPTZTGKMCX-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)ccc2n1 ZINC000249962542 377544186 /nfs/dbraw/zinc/54/41/86/377544186.db2.gz WNCHDPTZTGKMCX-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP c1csc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)c1 ZINC000250096190 377550427 /nfs/dbraw/zinc/55/04/27/377550427.db2.gz TVPOKNXNMYLOGZ-IJEWVQPXSA-N 2 1 276.449 3.416 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000516580865 249237799 /nfs/dbraw/zinc/23/77/99/249237799.db2.gz USNSWCFENFINDF-KSSFIOAISA-N 2 1 281.403 3.060 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(C)CC2)C1 ZINC000516700837 249242089 /nfs/dbraw/zinc/24/20/89/249242089.db2.gz CFIRECNTQYJLNP-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000516700837 249242091 /nfs/dbraw/zinc/24/20/91/249242091.db2.gz CFIRECNTQYJLNP-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000516700837 249242093 /nfs/dbraw/zinc/24/20/93/249242093.db2.gz CFIRECNTQYJLNP-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000516759999 249242967 /nfs/dbraw/zinc/24/29/67/249242967.db2.gz ISLSGFPHEPGGTF-FZKQIMNGSA-N 2 1 281.403 3.137 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)CC(C)C ZINC000515506711 249214174 /nfs/dbraw/zinc/21/41/74/249214174.db2.gz BVPHSXOAHAXUOM-QAETUUGQSA-N 2 1 296.499 3.146 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1OC ZINC000251228893 377577759 /nfs/dbraw/zinc/57/77/59/377577759.db2.gz KCPLTAWHQJRSQH-ZOBUZTSGSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1OC ZINC000251228893 377577766 /nfs/dbraw/zinc/57/77/66/377577766.db2.gz KCPLTAWHQJRSQH-ZOBUZTSGSA-N 2 1 288.435 3.363 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2F)[C@H]2CCC[C@H]21 ZINC000517978452 249274727 /nfs/dbraw/zinc/27/47/27/249274727.db2.gz ZGGNUWUQNSWYHC-BPQIPLTHSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000574002518 377605149 /nfs/dbraw/zinc/60/51/49/377605149.db2.gz IARINWSRPMJFSE-RHSMWYFYSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252173338 377617513 /nfs/dbraw/zinc/61/75/13/377617513.db2.gz OLEPUPMWEUYMOK-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1C ZINC000252101632 377612983 /nfs/dbraw/zinc/61/29/83/377612983.db2.gz GIRLTQYKKFEXOH-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C(C)C)CCS2 ZINC000574069904 377613902 /nfs/dbraw/zinc/61/39/02/377613902.db2.gz BIOPXMAEZVXJDF-OAHLLOKOSA-N 2 1 294.464 3.210 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000252215512 377619551 /nfs/dbraw/zinc/61/95/51/377619551.db2.gz ZCJUCOVGDDXDLU-GGOUWCIISA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000252215512 377619553 /nfs/dbraw/zinc/61/95/53/377619553.db2.gz ZCJUCOVGDDXDLU-GGOUWCIISA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000574126635 377624528 /nfs/dbraw/zinc/62/45/28/377624528.db2.gz WQCZULBBLXCARA-ZDUSSCGKSA-N 2 1 266.454 3.143 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000574126635 377624536 /nfs/dbraw/zinc/62/45/36/377624536.db2.gz WQCZULBBLXCARA-ZDUSSCGKSA-N 2 1 266.454 3.143 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000180727671 542214765 /nfs/dbraw/zinc/21/47/65/542214765.db2.gz FVCZNSXDLYVBRV-CQSZACIVSA-N 2 1 292.471 3.127 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000342606320 377686481 /nfs/dbraw/zinc/68/64/81/377686481.db2.gz KYFXHXCOAVUYLB-HNNXBMFYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000342606320 377686487 /nfs/dbraw/zinc/68/64/87/377686487.db2.gz KYFXHXCOAVUYLB-HNNXBMFYSA-N 2 1 263.429 3.340 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000575242593 377764700 /nfs/dbraw/zinc/76/47/00/377764700.db2.gz XPVDCFXCZODYOX-CYBMUJFWSA-N 2 1 286.366 3.328 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000261577885 377820183 /nfs/dbraw/zinc/82/01/83/377820183.db2.gz CXMFFJXPPMUTTJ-UBHSHLNASA-N 2 1 278.465 3.215 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000261577887 377820675 /nfs/dbraw/zinc/82/06/75/377820675.db2.gz CXMFFJXPPMUTTJ-YUTCNCBUSA-N 2 1 278.465 3.215 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261574934 377821497 /nfs/dbraw/zinc/82/14/97/377821497.db2.gz BJKGWFDRPQETNG-DRPJVOAASA-N 2 1 278.827 3.460 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000261654358 377834211 /nfs/dbraw/zinc/83/42/11/377834211.db2.gz BHBDADVKCUMERR-TYNCELHUSA-N 2 1 266.816 3.113 20 0 CGADMP C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000342939873 377865708 /nfs/dbraw/zinc/86/57/08/377865708.db2.gz FJROGQXOESMKSP-LJQANCHMSA-N 2 1 291.398 3.498 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261924604 377869434 /nfs/dbraw/zinc/86/94/34/377869434.db2.gz BZSVJIZUPKTPCV-IRXDYDNUSA-N 2 1 290.476 3.085 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261924604 377869437 /nfs/dbraw/zinc/86/94/37/377869437.db2.gz BZSVJIZUPKTPCV-IRXDYDNUSA-N 2 1 290.476 3.085 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261953911 377871266 /nfs/dbraw/zinc/87/12/66/377871266.db2.gz GHYMGTCKOUOBBI-INIZCTEOSA-N 2 1 272.417 3.087 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]C1 ZINC000262007832 377877590 /nfs/dbraw/zinc/87/75/90/377877590.db2.gz LZIBISMKZBDBKN-HOCLYGCPSA-N 2 1 278.827 3.129 20 0 CGADMP CC(C)(C)CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262023424 377880215 /nfs/dbraw/zinc/88/02/15/377880215.db2.gz WKBPLUMMCDATMD-KRWDZBQOSA-N 2 1 289.467 3.462 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1cccc(Cl)c1 ZINC000262016338 377880276 /nfs/dbraw/zinc/88/02/76/377880276.db2.gz VSXGYHBEDNKXFT-FRRDWIJNSA-N 2 1 266.816 3.113 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)on2)cc1 ZINC000262444798 377898610 /nfs/dbraw/zinc/89/86/10/377898610.db2.gz HDSMTEXNLUPLCV-ZBFHGGJFSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)on2)cc1 ZINC000262444798 377898617 /nfs/dbraw/zinc/89/86/17/377898617.db2.gz HDSMTEXNLUPLCV-ZBFHGGJFSA-N 2 1 299.418 3.067 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261710439 377841967 /nfs/dbraw/zinc/84/19/67/377841967.db2.gz JJSLNKSFQUCDND-HZPDHXFCSA-N 2 1 272.436 3.025 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)c1C ZINC000261744270 377849651 /nfs/dbraw/zinc/84/96/51/377849651.db2.gz IZJBZTPEQKLLNX-MSOLQXFVSA-N 2 1 272.436 3.440 20 0 CGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000261768609 377851196 /nfs/dbraw/zinc/85/11/96/377851196.db2.gz DOJFCXWKMKFBOI-GFCCVEGCSA-N 2 1 281.469 3.001 20 0 CGADMP c1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccnc2c1 ZINC000575400978 377904587 /nfs/dbraw/zinc/90/45/87/377904587.db2.gz AUONZZYZSPCHIW-HZPDHXFCSA-N 2 1 295.430 3.056 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)CCc2cccc(F)c2F)CC1 ZINC000343542957 378014249 /nfs/dbraw/zinc/01/42/49/378014249.db2.gz WGYMVAJMULHFOJ-UHFFFAOYSA-N 2 1 296.405 3.312 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2cccc(F)c2F)CC1 ZINC000343542957 378014255 /nfs/dbraw/zinc/01/42/55/378014255.db2.gz WGYMVAJMULHFOJ-UHFFFAOYSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCC[NH+](C)C ZINC000575955997 378003076 /nfs/dbraw/zinc/00/30/76/378003076.db2.gz FRCFNBOXUHRBJM-ALCCZGGFSA-N 2 1 282.378 3.252 20 0 CGADMP CC[N@H+](C/C=C\c1ccc(F)c(F)c1)CCC[NH+](C)C ZINC000575955997 378003083 /nfs/dbraw/zinc/00/30/83/378003083.db2.gz FRCFNBOXUHRBJM-ALCCZGGFSA-N 2 1 282.378 3.252 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000578266247 378053810 /nfs/dbraw/zinc/05/38/10/378053810.db2.gz BQLRFTPCQCVOJI-KLAILNCOSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000578266247 378053815 /nfs/dbraw/zinc/05/38/15/378053815.db2.gz BQLRFTPCQCVOJI-KLAILNCOSA-N 2 1 282.472 3.188 20 0 CGADMP COCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268793826 378112658 /nfs/dbraw/zinc/11/26/58/378112658.db2.gz VWRVIKSFQCCMIT-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP COCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268793826 378112664 /nfs/dbraw/zinc/11/26/64/378112664.db2.gz VWRVIKSFQCCMIT-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000268918874 378153472 /nfs/dbraw/zinc/15/34/72/378153472.db2.gz PVKJBXKKQRUMRS-VBQJREDUSA-N 2 1 278.415 3.249 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268825176 378123020 /nfs/dbraw/zinc/12/30/20/378123020.db2.gz TYBQPRIMKKPBAM-YJBOKZPZSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000268825176 378123023 /nfs/dbraw/zinc/12/30/23/378123023.db2.gz TYBQPRIMKKPBAM-YJBOKZPZSA-N 2 1 272.436 3.429 20 0 CGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268875897 378139380 /nfs/dbraw/zinc/13/93/80/378139380.db2.gz VODISIZDKSBLRF-LZLYRXPVSA-N 2 1 290.451 3.054 20 0 CGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268875897 378139386 /nfs/dbraw/zinc/13/93/86/378139386.db2.gz VODISIZDKSBLRF-LZLYRXPVSA-N 2 1 290.451 3.054 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(SC)s2)C1 ZINC000579291012 378147179 /nfs/dbraw/zinc/14/71/79/378147179.db2.gz WVDBMZKMJGJFRJ-LBPRGKRZSA-N 2 1 284.494 3.292 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000268778637 378107906 /nfs/dbraw/zinc/10/79/06/378107906.db2.gz CBCMFSOXJULBPM-ZDUSSCGKSA-N 2 1 275.371 3.380 20 0 CGADMP CC[C@@](C)([NH2+]CCCc1c[nH+]cn1C)c1nc(C)cs1 ZINC000579849001 378201333 /nfs/dbraw/zinc/20/13/33/378201333.db2.gz DLLXZIHRYQPOSP-OAHLLOKOSA-N 2 1 292.452 3.033 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000579915919 378207411 /nfs/dbraw/zinc/20/74/11/378207411.db2.gz KYNACVIBVWDAQY-OAHLLOKOSA-N 2 1 288.426 3.474 20 0 CGADMP CC[N@@H+](CCCC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000345177343 378214381 /nfs/dbraw/zinc/21/43/81/378214381.db2.gz HQVCUDLLUHRKJV-INIZCTEOSA-N 2 1 252.446 3.421 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000579378622 378156031 /nfs/dbraw/zinc/15/60/31/378156031.db2.gz SDKBDGMXXKGDAA-QGZVFWFLSA-N 2 1 292.442 3.422 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000269997290 378292674 /nfs/dbraw/zinc/29/26/74/378292674.db2.gz WYPGTBQTHLZNQY-IAGOWNOFSA-N 2 1 297.446 3.235 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000580364651 378244912 /nfs/dbraw/zinc/24/49/12/378244912.db2.gz XKYXDDJCDDMUGV-QKPAOTATSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000580364651 378244915 /nfs/dbraw/zinc/24/49/15/378244915.db2.gz XKYXDDJCDDMUGV-QKPAOTATSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000580364651 378244920 /nfs/dbraw/zinc/24/49/20/378244920.db2.gz XKYXDDJCDDMUGV-QKPAOTATSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000580364651 378244923 /nfs/dbraw/zinc/24/49/23/378244923.db2.gz XKYXDDJCDDMUGV-QKPAOTATSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000580364651 378244927 /nfs/dbraw/zinc/24/49/27/378244927.db2.gz XKYXDDJCDDMUGV-QKPAOTATSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000270658588 378382807 /nfs/dbraw/zinc/38/28/07/378382807.db2.gz ODPDCUPXRZKVPA-HIFRSBDPSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000270658588 378382811 /nfs/dbraw/zinc/38/28/11/378382811.db2.gz ODPDCUPXRZKVPA-HIFRSBDPSA-N 2 1 273.380 3.258 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000271175548 378470912 /nfs/dbraw/zinc/47/09/12/378470912.db2.gz FTZFMBDZFKFALK-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3cc[nH]c32)CC[N@H+]1C ZINC000271175548 378470917 /nfs/dbraw/zinc/47/09/17/378470917.db2.gz FTZFMBDZFKFALK-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3cc[nH]c32)CC[NH+]1C ZINC000271175548 378470921 /nfs/dbraw/zinc/47/09/21/378470921.db2.gz FTZFMBDZFKFALK-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3cc[nH]c32)CC[NH+]1C ZINC000271175548 378470925 /nfs/dbraw/zinc/47/09/25/378470925.db2.gz FTZFMBDZFKFALK-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP CS[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346018087 378440698 /nfs/dbraw/zinc/44/06/98/378440698.db2.gz QMWNCFWQVKBPAD-IRXDYDNUSA-N 2 1 290.476 3.135 20 0 CGADMP CCc1cnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000346132393 378474096 /nfs/dbraw/zinc/47/40/96/378474096.db2.gz BZAFJJZQSSEDAD-UHFFFAOYSA-N 2 1 293.480 3.013 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccn1 ZINC000271183796 378475053 /nfs/dbraw/zinc/47/50/53/378475053.db2.gz MRQOXJJCJTYSQQ-UHFFFAOYSA-N 2 1 283.419 3.165 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000346143388 378479240 /nfs/dbraw/zinc/47/92/40/378479240.db2.gz AQPKOHKWQAOZCD-CQSZACIVSA-N 2 1 284.407 3.196 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000271868187 378509294 /nfs/dbraw/zinc/50/92/94/378509294.db2.gz LYTKJWIKGYERBP-RBUKOAKNSA-N 2 1 284.447 3.249 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346325797 378545265 /nfs/dbraw/zinc/54/52/65/378545265.db2.gz MBQDAUQIHFABIQ-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346325797 378545270 /nfs/dbraw/zinc/54/52/70/378545270.db2.gz MBQDAUQIHFABIQ-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP C[C@H]([NH2+]Cc1cccn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272188301 378579848 /nfs/dbraw/zinc/57/98/48/378579848.db2.gz LQDQXARFWVQFEC-FUHWJXTLSA-N 2 1 297.446 3.025 20 0 CGADMP C[C@H]([NH2+]Cc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272252852 378596467 /nfs/dbraw/zinc/59/64/67/378596467.db2.gz YORKZKRLCWIIMJ-LPHOPBHVSA-N 2 1 295.430 3.082 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000346538794 378610814 /nfs/dbraw/zinc/61/08/14/378610814.db2.gz KWWGRVFJKZDTNI-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000346538794 378610818 /nfs/dbraw/zinc/61/08/18/378610818.db2.gz KWWGRVFJKZDTNI-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC000637889273 378617992 /nfs/dbraw/zinc/61/79/92/378617992.db2.gz NGKXERFILPNBJH-UHFFFAOYSA-N 2 1 299.462 3.483 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC000637889273 378617994 /nfs/dbraw/zinc/61/79/94/378617994.db2.gz NGKXERFILPNBJH-UHFFFAOYSA-N 2 1 299.462 3.483 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)CC(C)(C)C[NH3+] ZINC000346661477 378666530 /nfs/dbraw/zinc/66/65/30/378666530.db2.gz BCMNTCNMQVHXSC-UHFFFAOYSA-N 2 1 283.419 3.165 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000346832703 378692393 /nfs/dbraw/zinc/69/23/93/378692393.db2.gz MERUKQOFFXOQEB-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346818983 378692772 /nfs/dbraw/zinc/69/27/72/378692772.db2.gz DJXNLVXQZAVARV-NOLJZWGESA-N 2 1 284.403 3.164 20 0 CGADMP Cc1cnc([C@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)s1 ZINC000347970107 378742398 /nfs/dbraw/zinc/74/23/98/378742398.db2.gz WABHEGSCYUJOME-CQSZACIVSA-N 2 1 290.436 3.087 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000266175557 190237174 /nfs/dbraw/zinc/23/71/74/190237174.db2.gz DTZQURAEKQMLLS-SFHVURJKSA-N 2 1 298.430 3.242 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000266175557 190237175 /nfs/dbraw/zinc/23/71/75/190237175.db2.gz DTZQURAEKQMLLS-SFHVURJKSA-N 2 1 298.430 3.242 20 0 CGADMP C(C1CCSCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638179022 378724652 /nfs/dbraw/zinc/72/46/52/378724652.db2.gz HENIRGBHLFTWIV-NVXWUHKLSA-N 2 1 294.508 3.078 20 0 CGADMP C(C1CCSCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638179022 378724657 /nfs/dbraw/zinc/72/46/57/378724657.db2.gz HENIRGBHLFTWIV-NVXWUHKLSA-N 2 1 294.508 3.078 20 0 CGADMP C(C1CCSCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638179022 378724662 /nfs/dbraw/zinc/72/46/62/378724662.db2.gz HENIRGBHLFTWIV-NVXWUHKLSA-N 2 1 294.508 3.078 20 0 CGADMP C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347927616 378731875 /nfs/dbraw/zinc/73/18/75/378731875.db2.gz IAWRMPSAHXQYCX-RYUDHWBXSA-N 2 1 278.362 3.181 20 0 CGADMP COc1cccc(C2([NH2+]C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000274274057 378801467 /nfs/dbraw/zinc/80/14/67/378801467.db2.gz XDHWJQMVBDOIEZ-UHFFFAOYSA-N 2 1 288.435 3.147 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000638435722 378802928 /nfs/dbraw/zinc/80/29/28/378802928.db2.gz WYYLXFHAWSISIA-SFHVURJKSA-N 2 1 290.451 3.186 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000348126865 378803372 /nfs/dbraw/zinc/80/33/72/378803372.db2.gz QCULSWJFLOMPFM-RDJZCZTQSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638466919 378811846 /nfs/dbraw/zinc/81/18/46/378811846.db2.gz KTKCDQHOJLVYBJ-VIFPVBQESA-N 2 1 290.238 3.005 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@H]12 ZINC000346829872 218029082 /nfs/dbraw/zinc/02/90/82/218029082.db2.gz OEJOMPLHXLFICF-VHDGCEQUSA-N 2 1 272.417 3.070 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638596033 378844714 /nfs/dbraw/zinc/84/47/14/378844714.db2.gz DCNMOXLXSTWPBZ-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000566796961 322138431 /nfs/dbraw/zinc/13/84/31/322138431.db2.gz PNADDCAOENSYPH-ZJUUUORDSA-N 2 1 281.450 3.087 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000274615906 378861568 /nfs/dbraw/zinc/86/15/68/378861568.db2.gz VCTRHNZLUVEUOO-NSHDSACASA-N 2 1 279.409 3.003 20 0 CGADMP F[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000348387227 378936991 /nfs/dbraw/zinc/93/69/91/378936991.db2.gz GBRFXFPYXMYAFT-FUHWJXTLSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000348341802 378918566 /nfs/dbraw/zinc/91/85/66/378918566.db2.gz RUFLPIIQDFFMCK-IAGOWNOFSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC1(F)F ZINC000638969460 378961773 /nfs/dbraw/zinc/96/17/73/378961773.db2.gz HFLVKODYCHPHQD-SFDCQRBFSA-N 2 1 286.410 3.273 20 0 CGADMP CCS[C@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348483705 378966292 /nfs/dbraw/zinc/96/62/92/378966292.db2.gz ZOOBTXHERDWQJM-CABCVRRESA-N 2 1 281.469 3.236 20 0 CGADMP CCC[N@@H+](C/C=C/c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000347088510 218116859 /nfs/dbraw/zinc/11/68/59/218116859.db2.gz FFTITNYULOIMEU-ONEGZZNKSA-N 2 1 294.389 3.442 20 0 CGADMP CC(C)CCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000347092872 218119677 /nfs/dbraw/zinc/11/96/77/218119677.db2.gz GHKOSVOFQQAXHG-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CCC[N@@H+](Cc1cccc(C)c1C)C1CC[NH2+]CC1 ZINC000347097268 218120305 /nfs/dbraw/zinc/12/03/05/218120305.db2.gz JETLSVHAEJVNTG-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111399 218124262 /nfs/dbraw/zinc/12/42/62/218124262.db2.gz QDOISWDHDLMHFB-DNVCBOLYSA-N 2 1 295.430 3.450 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111399 218124265 /nfs/dbraw/zinc/12/42/65/218124265.db2.gz QDOISWDHDLMHFB-DNVCBOLYSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cc2cc(F)ccc2o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347071561 218111699 /nfs/dbraw/zinc/11/16/99/218111699.db2.gz QHFPGQLMJQQSKN-YIONKMFJSA-N 2 1 288.366 3.287 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000347158831 218140547 /nfs/dbraw/zinc/14/05/47/218140547.db2.gz FMTSRUPHRRUIFO-ZDUSSCGKSA-N 2 1 272.417 3.196 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Nc2ccccc2)C1 ZINC000370394391 379014234 /nfs/dbraw/zinc/01/42/34/379014234.db2.gz JZGDPFIRUQRLBA-ZWKOTPCHSA-N 2 1 287.451 3.047 20 0 CGADMP Cn1c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc2ccccc21 ZINC000639103661 379028342 /nfs/dbraw/zinc/02/83/42/379028342.db2.gz LSTIBBXJYUYZNH-INIZCTEOSA-N 2 1 285.435 3.094 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc2ccccc21 ZINC000639103661 379028347 /nfs/dbraw/zinc/02/83/47/379028347.db2.gz LSTIBBXJYUYZNH-INIZCTEOSA-N 2 1 285.435 3.094 20 0 CGADMP FCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370653581 379045992 /nfs/dbraw/zinc/04/59/92/379045992.db2.gz ZBHGTBGHAZYYAJ-UHFFFAOYSA-N 2 1 290.426 3.334 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)CC1 ZINC000277159486 379085558 /nfs/dbraw/zinc/08/55/58/379085558.db2.gz KBJFTRVSLKOCJI-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000355337546 284765807 /nfs/dbraw/zinc/76/58/07/284765807.db2.gz XFBIGTTVVGTUHK-MNOVXSKESA-N 2 1 254.340 3.037 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2cccnc21 ZINC000349358656 379247369 /nfs/dbraw/zinc/24/73/69/379247369.db2.gz YCVYRXBVERTULG-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1(OC)CCCCC1 ZINC000349406068 379269288 /nfs/dbraw/zinc/26/92/88/379269288.db2.gz JRQWTHZETYPJAA-UHFFFAOYSA-N 2 1 282.472 3.144 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC1(F)F ZINC000639322421 379275047 /nfs/dbraw/zinc/27/50/47/379275047.db2.gz SORGQGKODQUUFO-OBJOEFQTSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC1(F)F ZINC000639322421 379275050 /nfs/dbraw/zinc/27/50/50/379275050.db2.gz SORGQGKODQUUFO-OBJOEFQTSA-N 2 1 272.383 3.027 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000373519168 379293724 /nfs/dbraw/zinc/29/37/24/379293724.db2.gz FBGYTBCMSYJIBM-OOHWJJMZSA-N 2 1 288.435 3.363 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373519168 379293732 /nfs/dbraw/zinc/29/37/32/379293732.db2.gz FBGYTBCMSYJIBM-OOHWJJMZSA-N 2 1 288.435 3.363 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H]1CCSC1 ZINC000278464356 379395939 /nfs/dbraw/zinc/39/59/39/379395939.db2.gz YJOWBNBEJFQPTE-OAHLLOKOSA-N 2 1 292.492 3.370 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000278391447 379370834 /nfs/dbraw/zinc/37/08/34/379370834.db2.gz FXLUMGCYEWCWED-LAVFITLUSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000278391447 379370840 /nfs/dbraw/zinc/37/08/40/379370840.db2.gz FXLUMGCYEWCWED-LAVFITLUSA-N 2 1 272.436 3.395 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000374326005 379422043 /nfs/dbraw/zinc/42/20/43/379422043.db2.gz QZVKVDKTLZPUGS-UHFFFAOYSA-N 2 1 278.827 3.400 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278988590 194242526 /nfs/dbraw/zinc/24/25/26/194242526.db2.gz PUWUBUFZDMFWCB-HOTGVXAUSA-N 2 1 283.419 3.413 20 0 CGADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000375749187 379508084 /nfs/dbraw/zinc/50/80/84/379508084.db2.gz MXXGDJKSAYKQGC-SJORKVTESA-N 2 1 296.524 3.328 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCO1 ZINC000375887866 379513842 /nfs/dbraw/zinc/51/38/42/379513842.db2.gz JZIWYSAFPKCNSS-SFFUCWETSA-N 2 1 294.483 3.043 20 0 CGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4ccccc43)C2)CC1 ZINC000639754525 379569392 /nfs/dbraw/zinc/56/93/92/379569392.db2.gz BRXLBEXMKHHSHI-QGZVFWFLSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000639757693 379571907 /nfs/dbraw/zinc/57/19/07/379571907.db2.gz OLZUYEQQCHGOER-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758248 379573131 /nfs/dbraw/zinc/57/31/31/379573131.db2.gz RRPIYEKOODRWCT-ZDUSSCGKSA-N 2 1 294.389 3.444 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000640015793 379687343 /nfs/dbraw/zinc/68/73/43/379687343.db2.gz NZHKSDYSXRVJOG-UHFFFAOYSA-N 2 1 289.467 3.059 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000347705285 218328569 /nfs/dbraw/zinc/32/85/69/218328569.db2.gz LPSMMNXMYYJFQN-GOEBONIOSA-N 2 1 299.418 3.258 20 0 CGADMP CCCCOCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988683 379678848 /nfs/dbraw/zinc/67/88/48/379678848.db2.gz XIIGMNSHNSFHOR-UHFFFAOYSA-N 2 1 282.472 3.144 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000377885218 379754938 /nfs/dbraw/zinc/75/49/38/379754938.db2.gz RTKJZSRBFATRBU-KRWDZBQOSA-N 2 1 297.446 3.332 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C2CC2)c1 ZINC000377803783 379743872 /nfs/dbraw/zinc/74/38/72/379743872.db2.gz ZUQVLCRETUSGJA-FUHWJXTLSA-N 2 1 295.430 3.186 20 0 CGADMP CC(C)C[NH+]1CCCC2(CCC[N@H+](CC(C)C)C2)C1 ZINC000352017567 379750088 /nfs/dbraw/zinc/75/00/88/379750088.db2.gz HZVOSEGEDRKXNG-UHFFFAOYSA-N 2 1 266.473 3.476 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000267278466 190317772 /nfs/dbraw/zinc/31/77/72/190317772.db2.gz USNTVNKJNDPTNJ-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352524258 379843100 /nfs/dbraw/zinc/84/31/00/379843100.db2.gz AXQFADGQENCJOP-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352524258 379843104 /nfs/dbraw/zinc/84/31/04/379843104.db2.gz AXQFADGQENCJOP-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(C)n1 ZINC000640532708 379819139 /nfs/dbraw/zinc/81/91/39/379819139.db2.gz IQKRLBKNTPIWDE-UHFFFAOYSA-N 2 1 289.467 3.396 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640534228 379820140 /nfs/dbraw/zinc/82/01/40/379820140.db2.gz OALJYGHXPBDNOQ-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000347781850 218353908 /nfs/dbraw/zinc/35/39/08/218353908.db2.gz KXEHLURXCZVIQP-GDBMZVCRSA-N 2 1 263.429 3.157 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)nc1 ZINC000640533279 379820476 /nfs/dbraw/zinc/82/04/76/379820476.db2.gz QKWDOVSQVHHXAZ-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP C[C@@H]1CC[C@H](C)N1[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716838 379920922 /nfs/dbraw/zinc/92/09/22/379920922.db2.gz HQPZSYMWCYVOIX-CWQOZTLDSA-N 2 1 294.483 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000282484764 379928058 /nfs/dbraw/zinc/92/80/58/379928058.db2.gz HIUZFLCLFMFHKJ-PBHICJAKSA-N 2 1 285.435 3.030 20 0 CGADMP CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749096 379938654 /nfs/dbraw/zinc/93/86/54/379938654.db2.gz LONSPOFFEQAEIZ-VXGBXAGGSA-N 2 1 269.458 3.119 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000282551465 379943403 /nfs/dbraw/zinc/94/34/03/379943403.db2.gz CPVXOJJTYYQSSO-ZDUSSCGKSA-N 2 1 292.854 3.487 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000400330882 379947968 /nfs/dbraw/zinc/94/79/68/379947968.db2.gz CTJLTHPGXJNLFO-RCBQFDQVSA-N 2 1 264.388 3.253 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401749382 379959636 /nfs/dbraw/zinc/95/96/36/379959636.db2.gz MITWTGLLUPZFLU-FVQBIDKESA-N 2 1 263.429 3.013 20 0 CGADMP CCC1CCC([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352825565 379984955 /nfs/dbraw/zinc/98/49/55/379984955.db2.gz SHKSBCMORNWHFJ-UHFFFAOYSA-N 2 1 281.469 3.263 20 0 CGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC1 ZINC000282989933 380020859 /nfs/dbraw/zinc/02/08/59/380020859.db2.gz MUKSLTSRIWXSOR-QGZVFWFLSA-N 2 1 272.436 3.287 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC1 ZINC000282989933 380020867 /nfs/dbraw/zinc/02/08/67/380020867.db2.gz MUKSLTSRIWXSOR-QGZVFWFLSA-N 2 1 272.436 3.287 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000283433859 380063372 /nfs/dbraw/zinc/06/33/72/380063372.db2.gz SPALFMOPIZJHTN-LMSBXDPUSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000641732665 380067714 /nfs/dbraw/zinc/06/77/14/380067714.db2.gz JRVIDCIZTHNSLT-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@@H+](C[C@H]1CCCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352917344 380037602 /nfs/dbraw/zinc/03/76/02/380037602.db2.gz WKOLYOXHIPVURL-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](C[C@H]1CCCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352917344 380037611 /nfs/dbraw/zinc/03/76/11/380037611.db2.gz WKOLYOXHIPVURL-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](C[C@H]1CCCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352917344 380037619 /nfs/dbraw/zinc/03/76/19/380037619.db2.gz WKOLYOXHIPVURL-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)Oc1ccccc1 ZINC000353087543 380109313 /nfs/dbraw/zinc/10/93/13/380109313.db2.gz YYPYYSUIEWFMQP-UHFFFAOYSA-N 2 1 299.418 3.095 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2[C@@H](C)CCC2(C)C)cc1 ZINC000641801589 380110649 /nfs/dbraw/zinc/11/06/49/380110649.db2.gz SVMQPWXITZPLSX-ZFWWWQNUSA-N 2 1 276.424 3.000 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000642631045 380184115 /nfs/dbraw/zinc/18/41/15/380184115.db2.gz ZJVNAXFIPQCWPC-ZWKOTPCHSA-N 2 1 272.436 3.356 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000414179479 380199320 /nfs/dbraw/zinc/19/93/20/380199320.db2.gz KTGXKZAPQUFIAT-CQSZACIVSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000414176032 380199622 /nfs/dbraw/zinc/19/96/22/380199622.db2.gz HVTPQTIOTDJPME-WMLDXEAASA-N 2 1 264.457 3.277 20 0 CGADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cnn1C(C)C ZINC000414196017 380202078 /nfs/dbraw/zinc/20/20/78/380202078.db2.gz UXZAYFFNVATBBR-GOEBONIOSA-N 2 1 292.471 3.155 20 0 CGADMP C[C@@H]1C[C@@H](NC/C=C/c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000286357366 380202313 /nfs/dbraw/zinc/20/23/13/380202313.db2.gz FUXQRLBIRQQRNB-SDEBIZQBSA-N 2 1 292.373 3.193 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000353935199 380243785 /nfs/dbraw/zinc/24/37/85/380243785.db2.gz ZIBUAXHRFQDGLG-RDJZCZTQSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)cn1 ZINC000353935199 380243792 /nfs/dbraw/zinc/24/37/92/380243792.db2.gz ZIBUAXHRFQDGLG-RDJZCZTQSA-N 2 1 289.467 3.033 20 0 CGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000353599296 380214549 /nfs/dbraw/zinc/21/45/49/380214549.db2.gz WZSXVDBIFIDEDN-SISKNIMQSA-N 2 1 294.483 3.043 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C)C[C@@H]1C ZINC000353769278 380222633 /nfs/dbraw/zinc/22/26/33/380222633.db2.gz RBWRAUILTIYKQT-DOTOQJQBSA-N 2 1 289.467 3.057 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C)C[C@@H]1C ZINC000353769278 380222639 /nfs/dbraw/zinc/22/26/39/380222639.db2.gz RBWRAUILTIYKQT-DOTOQJQBSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2N(C)C)C[C@@H]1C ZINC000353769278 380222644 /nfs/dbraw/zinc/22/26/44/380222644.db2.gz RBWRAUILTIYKQT-DOTOQJQBSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N(C)C)C[C@@H]1C ZINC000353769278 380222647 /nfs/dbraw/zinc/22/26/47/380222647.db2.gz RBWRAUILTIYKQT-DOTOQJQBSA-N 2 1 289.467 3.057 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000353803976 380224606 /nfs/dbraw/zinc/22/46/06/380224606.db2.gz DIMOPWNEOBSBQY-UHFFFAOYSA-N 2 1 299.393 3.323 20 0 CGADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1C(F)(F)F ZINC000414448827 380241951 /nfs/dbraw/zinc/24/19/51/380241951.db2.gz SVXQKWINOUOCCG-OKILXGFUSA-N 2 1 298.352 3.007 20 0 CGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1C(F)(F)F ZINC000414448827 380241956 /nfs/dbraw/zinc/24/19/56/380241956.db2.gz SVXQKWINOUOCCG-OKILXGFUSA-N 2 1 298.352 3.007 20 0 CGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1C(F)(F)F ZINC000414448827 380241961 /nfs/dbraw/zinc/24/19/61/380241961.db2.gz SVXQKWINOUOCCG-OKILXGFUSA-N 2 1 298.352 3.007 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1C(F)(F)F ZINC000414448827 380241964 /nfs/dbraw/zinc/24/19/64/380241964.db2.gz SVXQKWINOUOCCG-OKILXGFUSA-N 2 1 298.352 3.007 20 0 CGADMP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000414613123 380334732 /nfs/dbraw/zinc/33/47/32/380334732.db2.gz FKQNKINJXCRFFP-KBPBESRZSA-N 2 1 292.427 3.195 20 0 CGADMP C[C@H]([NH2+]Cc1cc2c(s1)CCCC2)c1c[nH+]ccc1N ZINC000643456747 380308271 /nfs/dbraw/zinc/30/82/71/380308271.db2.gz UUAPLXWQOGNEBA-NSHDSACASA-N 2 1 287.432 3.285 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@H](C)C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643468366 380315298 /nfs/dbraw/zinc/31/52/98/380315298.db2.gz WUKGMKLOIXLGDM-KKXDTOCCSA-N 2 1 288.435 3.124 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)o1 ZINC000643547958 380363471 /nfs/dbraw/zinc/36/34/71/380363471.db2.gz LGJYZJSXHBQTCP-OCCSQVGLSA-N 2 1 262.397 3.222 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cnn1C(C)C ZINC000643548796 380364445 /nfs/dbraw/zinc/36/44/45/380364445.db2.gz VHEIQRJYQIPPEV-ZFWWWQNUSA-N 2 1 290.455 3.098 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000414675338 380366070 /nfs/dbraw/zinc/36/60/70/380366070.db2.gz FTBVFLMNUULHTK-BPQIPLTHSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000414688374 380374774 /nfs/dbraw/zinc/37/47/74/380374774.db2.gz DCMDZIBNEROYIM-NEPJUHHUSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414690842 380376913 /nfs/dbraw/zinc/37/69/13/380376913.db2.gz AUFGRSIDWJULRP-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000414708785 380383182 /nfs/dbraw/zinc/38/31/82/380383182.db2.gz PJSWJEYXFCGFQM-WCQYABFASA-N 2 1 284.806 3.299 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000414748465 380391498 /nfs/dbraw/zinc/39/14/98/380391498.db2.gz IPSFJZJJIILLGO-AEFFLSMTSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000643526883 380342165 /nfs/dbraw/zinc/34/21/65/380342165.db2.gz HAKVFRYKHYOSRM-DYVFJYSZSA-N 2 1 272.367 3.046 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000643528193 380345348 /nfs/dbraw/zinc/34/53/48/380345348.db2.gz FIZGANQYMSLDOX-GJZGRUSLSA-N 2 1 284.403 3.263 20 0 CGADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643529294 380346749 /nfs/dbraw/zinc/34/67/49/380346749.db2.gz YFMQQEYMVXZHLL-WDEREUQCSA-N 2 1 275.421 3.116 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)C1CCC1 ZINC000354183323 380357364 /nfs/dbraw/zinc/35/73/64/380357364.db2.gz ZJSGYCRMUGKKHW-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)C1CCC1 ZINC000354183323 380357368 /nfs/dbraw/zinc/35/73/68/380357368.db2.gz ZJSGYCRMUGKKHW-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000643545924 380358060 /nfs/dbraw/zinc/35/80/60/380358060.db2.gz FQBUELZVNQCPRX-GXTWGEPZSA-N 2 1 292.398 3.160 20 0 CGADMP C[NH2+]CC[NH2+][C@@H](Cc1cccc(Cl)c1)CC(C)C ZINC000414820677 380432473 /nfs/dbraw/zinc/43/24/73/380432473.db2.gz COMDTGPGQRDVKR-OAHLLOKOSA-N 2 1 268.832 3.106 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414855897 380457608 /nfs/dbraw/zinc/45/76/08/380457608.db2.gz XUYWEKDVXVXLFE-GFCCVEGCSA-N 2 1 290.329 3.048 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414831154 380440171 /nfs/dbraw/zinc/44/01/71/380440171.db2.gz CBNYZSOAUNUFLT-GRYCIOLGSA-N 2 1 266.351 3.071 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414835128 380442485 /nfs/dbraw/zinc/44/24/85/380442485.db2.gz HBYIKCPDFQQNNY-SFHVURJKSA-N 2 1 283.419 3.212 20 0 CGADMP Clc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1Cl ZINC000414837095 380444130 /nfs/dbraw/zinc/44/41/30/380444130.db2.gz VNQDGHREQPQZFB-SNVBAGLBSA-N 2 1 273.207 3.083 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000414840002 380447373 /nfs/dbraw/zinc/44/73/73/380447373.db2.gz MBCSZLNCVSYOQT-CYBMUJFWSA-N 2 1 254.805 3.111 20 0 CGADMP Clc1ccsc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772797 380399375 /nfs/dbraw/zinc/39/93/75/380399375.db2.gz CMJFDPHOGWQIET-NWDGAFQWSA-N 2 1 284.856 3.223 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414780927 380400892 /nfs/dbraw/zinc/40/08/92/380400892.db2.gz MDOKVWWUNCPCKB-ZIAGYGMSSA-N 2 1 293.480 3.088 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414853183 380455767 /nfs/dbraw/zinc/45/57/67/380455767.db2.gz SDHOXUWHWZNGNN-FGTMMUONSA-N 2 1 274.452 3.361 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCCOc1ccccc1)C1CCCCC1 ZINC000414853105 380455933 /nfs/dbraw/zinc/45/59/33/380455933.db2.gz RULKHMBZPNGUQU-GOSISDBHSA-N 2 1 290.451 3.343 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C[C@@H](c2ccccc2)C1 ZINC000414794211 380408546 /nfs/dbraw/zinc/40/85/46/380408546.db2.gz FKHXXNIPFMUXKF-MGHWNKPDSA-N 2 1 272.436 3.286 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414796124 380410990 /nfs/dbraw/zinc/41/09/90/380410990.db2.gz NNTTXKDNQITORE-CQSZACIVSA-N 2 1 254.805 3.030 20 0 CGADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000414798315 380412415 /nfs/dbraw/zinc/41/24/15/380412415.db2.gz BZAFKHSWHWJBHW-QMTHXVAHSA-N 2 1 286.341 3.136 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1F ZINC000414853393 380456225 /nfs/dbraw/zinc/45/62/25/380456225.db2.gz SHBBMZAKJLPLTP-INIZCTEOSA-N 2 1 294.414 3.222 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415060839 380506649 /nfs/dbraw/zinc/50/66/49/380506649.db2.gz ZAFPUIVQCNBOLP-WMLDXEAASA-N 2 1 276.399 3.098 20 0 CGADMP Clc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000414872980 380468259 /nfs/dbraw/zinc/46/82/59/380468259.db2.gz GICKQFANQNOALQ-UHFFFAOYSA-N 2 1 295.839 3.066 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H](C)c1ccccc1 ZINC000414875757 380469915 /nfs/dbraw/zinc/46/99/15/380469915.db2.gz JNDLGQICESHZMY-SJORKVTESA-N 2 1 297.446 3.343 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000414874816 380470449 /nfs/dbraw/zinc/47/04/49/380470449.db2.gz ZJWWMSPBJYCGCV-OWLYRPNTSA-N 2 1 272.436 3.300 20 0 CGADMP CC[C@H]1CCC[C@@H](C[NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414886306 380474621 /nfs/dbraw/zinc/47/46/21/380474621.db2.gz WFASVMPBVHSJPF-DLBZAZTESA-N 2 1 289.467 3.367 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000414895206 380477673 /nfs/dbraw/zinc/47/76/73/380477673.db2.gz MWTHHVBVSCGSMF-MRXNPFEDSA-N 2 1 272.417 3.242 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904392 380484470 /nfs/dbraw/zinc/48/44/70/380484470.db2.gz JXSUHKMJFXUAHS-OAHLLOKOSA-N 2 1 284.403 3.080 20 0 CGADMP CC(C)n1cncc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000644900903 380542282 /nfs/dbraw/zinc/54/22/82/380542282.db2.gz DUEHNRWNDZADEX-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417301126 380588023 /nfs/dbraw/zinc/58/80/23/380588023.db2.gz ACGVJXMWVCUFMJ-UHOFOFEASA-N 2 1 290.476 3.457 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CC1(C)C ZINC000417318944 380591648 /nfs/dbraw/zinc/59/16/48/380591648.db2.gz ZUKUPONULQNHQK-ULQDDVLXSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1c1cccs1 ZINC000417325024 380592809 /nfs/dbraw/zinc/59/28/09/380592809.db2.gz BAUHMPHNXBYIRP-LRMUHYSTSA-N 2 1 290.476 3.455 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323784 380593288 /nfs/dbraw/zinc/59/32/88/380593288.db2.gz PDUUYVVRCKTSRL-CQJMVSDSSA-N 2 1 290.476 3.457 20 0 CGADMP C1=C(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000645837946 380747088 /nfs/dbraw/zinc/74/70/88/380747088.db2.gz UYGXKOBARIXMOY-RDJZCZTQSA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000645837946 380747091 /nfs/dbraw/zinc/74/70/91/380747091.db2.gz UYGXKOBARIXMOY-RDJZCZTQSA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000645837946 380747093 /nfs/dbraw/zinc/74/70/93/380747093.db2.gz UYGXKOBARIXMOY-RDJZCZTQSA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000645837946 380747095 /nfs/dbraw/zinc/74/70/95/380747095.db2.gz UYGXKOBARIXMOY-RDJZCZTQSA-N 2 1 260.425 3.045 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000356295012 380794784 /nfs/dbraw/zinc/79/47/84/380794784.db2.gz MXIZZDSDYSQLMS-KRWDZBQOSA-N 2 1 296.418 3.196 20 0 CGADMP C[N@H+]1CCC[C@H]1CCNC1(c2ccccc2F)CCC1 ZINC000646025725 380803846 /nfs/dbraw/zinc/80/38/46/380803846.db2.gz YAWJGYRXXLHUJX-AWEZNQCLSA-N 2 1 276.399 3.279 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000646025725 380803851 /nfs/dbraw/zinc/80/38/51/380803851.db2.gz YAWJGYRXXLHUJX-AWEZNQCLSA-N 2 1 276.399 3.279 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000646025725 380803858 /nfs/dbraw/zinc/80/38/58/380803858.db2.gz YAWJGYRXXLHUJX-AWEZNQCLSA-N 2 1 276.399 3.279 20 0 CGADMP C(C[N@H+]1CCCC2(CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420303834 380845839 /nfs/dbraw/zinc/84/58/39/380845839.db2.gz NQDRDLJMULQSKA-MRXNPFEDSA-N 2 1 264.457 3.422 20 0 CGADMP c1cc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cs1 ZINC000420319980 380847535 /nfs/dbraw/zinc/84/75/35/380847535.db2.gz PUQDUGLNZQWALY-HIFRSBDPSA-N 2 1 264.438 3.275 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333874 380851369 /nfs/dbraw/zinc/85/13/69/380851369.db2.gz TXBUZPFMIQRLQI-QWHCGFSZSA-N 2 1 278.362 3.041 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333233 380852875 /nfs/dbraw/zinc/85/28/75/380852875.db2.gz SMOOQYLYGOYHNZ-RDBSUJKOSA-N 2 1 294.389 3.347 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000356888246 380922849 /nfs/dbraw/zinc/92/28/49/380922849.db2.gz ZFDVNYHUCXYOMG-RCCFBDPRSA-N 2 1 284.447 3.287 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000356888245 380923613 /nfs/dbraw/zinc/92/36/13/380923613.db2.gz ZFDVNYHUCXYOMG-OKZBNKHCSA-N 2 1 284.447 3.287 20 0 CGADMP COC1(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000359732420 381364392 /nfs/dbraw/zinc/36/43/92/381364392.db2.gz DIQYGYOCWGZEGX-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP COC1(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000359972684 381394952 /nfs/dbraw/zinc/39/49/52/381394952.db2.gz XCBVNCHBXGYHAL-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP C[N@@H+](CCc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211880173 542284959 /nfs/dbraw/zinc/28/49/59/542284959.db2.gz MJAFTUBFLVBDRY-UHFFFAOYSA-N 2 1 280.415 3.007 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccsc1 ZINC000360501152 381561502 /nfs/dbraw/zinc/56/15/02/381561502.db2.gz RRKDVUQCHVRYGI-GFCCVEGCSA-N 2 1 264.438 3.416 20 0 CGADMP COCC[N@@H+](CCCCn1ccnc1C)[C@@H]1CC[C@@H](C)C1 ZINC000362163502 381894457 /nfs/dbraw/zinc/89/44/57/381894457.db2.gz OPJKVOGEJKUNEQ-NVXWUHKLSA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CC[C@@H](C)C1 ZINC000362163502 381894466 /nfs/dbraw/zinc/89/44/66/381894466.db2.gz OPJKVOGEJKUNEQ-NVXWUHKLSA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CC[C@@H](C)C1 ZINC000362163502 381894476 /nfs/dbraw/zinc/89/44/76/381894476.db2.gz OPJKVOGEJKUNEQ-NVXWUHKLSA-N 2 1 293.455 3.109 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC2(CC2)CC1 ZINC000362918963 382148370 /nfs/dbraw/zinc/14/83/70/382148370.db2.gz QPJNCJLONXEKMP-UHFFFAOYSA-N 2 1 261.413 3.284 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366484999 382310702 /nfs/dbraw/zinc/31/07/02/382310702.db2.gz UXLFEBDCYSNAHO-HNNXBMFYSA-N 2 1 298.352 3.233 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366484999 382310709 /nfs/dbraw/zinc/31/07/09/382310709.db2.gz UXLFEBDCYSNAHO-HNNXBMFYSA-N 2 1 298.352 3.233 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366484999 382310714 /nfs/dbraw/zinc/31/07/14/382310714.db2.gz UXLFEBDCYSNAHO-HNNXBMFYSA-N 2 1 298.352 3.233 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366484999 382310716 /nfs/dbraw/zinc/31/07/16/382310716.db2.gz UXLFEBDCYSNAHO-HNNXBMFYSA-N 2 1 298.352 3.233 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC[C@H]1[NH3+] ZINC000251608116 542346802 /nfs/dbraw/zinc/34/68/02/542346802.db2.gz DLBLWDMVISAEDZ-WMLDXEAASA-N 2 1 258.409 3.123 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000251845722 542348398 /nfs/dbraw/zinc/34/83/98/542348398.db2.gz RGEIPQFWBHRIFL-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000251147303 542345838 /nfs/dbraw/zinc/34/58/38/542345838.db2.gz GEINXAMACOBKQG-SJLPKXTDSA-N 2 1 272.436 3.267 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418314 542349646 /nfs/dbraw/zinc/34/96/46/542349646.db2.gz VEYINDIBUCEWJN-DOTOQJQBSA-N 2 1 284.403 3.397 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000280894950 195019443 /nfs/dbraw/zinc/01/94/43/195019443.db2.gz NZWVXJPJQGRQIA-QGZVFWFLSA-N 2 1 271.408 3.221 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CCSCc1ccccc1 ZINC000280898055 195020577 /nfs/dbraw/zinc/02/05/77/195020577.db2.gz FCROXZRPQUCZHS-UHFFFAOYSA-N 2 1 289.448 3.105 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280960635 195046826 /nfs/dbraw/zinc/04/68/26/195046826.db2.gz UVJSCTNLPNEKKK-QGZVFWFLSA-N 2 1 284.407 3.108 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(COC)c2)C[C@@H]1C ZINC000353745282 220297505 /nfs/dbraw/zinc/29/75/05/220297505.db2.gz IJHWVFSDXZHUMN-MAUKXSAKSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(COC)c2)C[C@@H]1C ZINC000353745282 220297507 /nfs/dbraw/zinc/29/75/07/220297507.db2.gz IJHWVFSDXZHUMN-MAUKXSAKSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(COC)c2)C[C@@H]1C ZINC000353745282 220297510 /nfs/dbraw/zinc/29/75/10/220297510.db2.gz IJHWVFSDXZHUMN-MAUKXSAKSA-N 2 1 290.451 3.138 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2)C[C@@H]1C ZINC000353748816 220299438 /nfs/dbraw/zinc/29/94/38/220299438.db2.gz JIOCNIOVOQBTJW-RDJZCZTQSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C[C@@H]1C ZINC000353748816 220299441 /nfs/dbraw/zinc/29/94/41/220299441.db2.gz JIOCNIOVOQBTJW-RDJZCZTQSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C[C@@H]1C ZINC000353748816 220299447 /nfs/dbraw/zinc/29/94/47/220299447.db2.gz JIOCNIOVOQBTJW-RDJZCZTQSA-N 2 1 260.425 3.300 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000353748262 220301680 /nfs/dbraw/zinc/30/16/80/220301680.db2.gz HDYFZUGDUMIWCA-GOEBONIOSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000353748262 220301686 /nfs/dbraw/zinc/30/16/86/220301686.db2.gz HDYFZUGDUMIWCA-GOEBONIOSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000353748262 220301691 /nfs/dbraw/zinc/30/16/91/220301691.db2.gz HDYFZUGDUMIWCA-GOEBONIOSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000353748262 220301694 /nfs/dbraw/zinc/30/16/94/220301694.db2.gz HDYFZUGDUMIWCA-GOEBONIOSA-N 2 1 278.415 3.439 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000345172126 285163529 /nfs/dbraw/zinc/16/35/29/285163529.db2.gz TVSFGZNGPLAVNE-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074053 542486060 /nfs/dbraw/zinc/48/60/60/542486060.db2.gz IILZGNBXFZKFPM-WCXIOVBPSA-N 2 1 294.483 3.044 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337336279 542480224 /nfs/dbraw/zinc/48/02/24/542480224.db2.gz LZRBOMKRJUWLON-JZXOWHBKSA-N 2 1 289.467 3.428 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000348121891 542516068 /nfs/dbraw/zinc/51/60/68/542516068.db2.gz JLPJGKRUNXLNKX-MSOLQXFVSA-N 2 1 272.436 3.417 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCC23CCC3)([NH+](C)C)C1 ZINC000337404883 296455420 /nfs/dbraw/zinc/45/54/20/296455420.db2.gz RPZAIBPPEHAYGW-HLLBOEOZSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1C[C@@H]1C ZINC000414075583 533377834 /nfs/dbraw/zinc/37/78/34/533377834.db2.gz PDAAYTRQYAUKCK-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2ccccc2n1 ZINC000423515506 533384438 /nfs/dbraw/zinc/38/44/38/533384438.db2.gz ABXZVBZGCNCIST-CYBMUJFWSA-N 2 1 269.392 3.028 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423315467 533429948 /nfs/dbraw/zinc/42/99/48/533429948.db2.gz ITRLBBIOIPQTIE-OQPBUACISA-N 2 1 273.207 3.381 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423325259 533439069 /nfs/dbraw/zinc/43/90/69/533439069.db2.gz JHRCQIVOIUJTMS-IAQYHMDHSA-N 2 1 268.351 3.005 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000449131577 533467332 /nfs/dbraw/zinc/46/73/32/533467332.db2.gz NWGPXCPHSYNNFK-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP CSCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915821 533579927 /nfs/dbraw/zinc/57/99/27/533579927.db2.gz RKPIMAVXRQFABG-RDJZCZTQSA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915821 533579930 /nfs/dbraw/zinc/57/99/30/533579930.db2.gz RKPIMAVXRQFABG-RDJZCZTQSA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915821 533579932 /nfs/dbraw/zinc/57/99/32/533579932.db2.gz RKPIMAVXRQFABG-RDJZCZTQSA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915821 533579933 /nfs/dbraw/zinc/57/99/33/533579933.db2.gz RKPIMAVXRQFABG-RDJZCZTQSA-N 2 1 292.492 3.334 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1F ZINC000364957546 533600193 /nfs/dbraw/zinc/60/01/93/533600193.db2.gz WLFKALFPYGOZLO-UHFFFAOYSA-N 2 1 276.399 3.194 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[NH2+]1 ZINC000423377384 533657233 /nfs/dbraw/zinc/65/72/33/533657233.db2.gz LOIBXAXURXEERC-SCDSUCTJSA-N 2 1 280.412 3.093 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000449219253 533665742 /nfs/dbraw/zinc/66/57/42/533665742.db2.gz NCHXZKPEXMYWFP-UHFFFAOYSA-N 2 1 290.451 3.402 20 0 CGADMP C1=C(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000401070717 542622820 /nfs/dbraw/zinc/62/28/20/542622820.db2.gz JKBDAKXAVDKWEM-UHFFFAOYSA-N 2 1 270.420 3.351 20 0 CGADMP [NH3+]CCC[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000415089995 542641896 /nfs/dbraw/zinc/64/18/96/542641896.db2.gz OIOPSGGKFWCQJR-INIZCTEOSA-N 2 1 274.795 3.368 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000036908066 391978990 /nfs/dbraw/zinc/97/89/90/391978990.db2.gz SGZXQPCDUADTLV-DVOMOZLQSA-N 2 1 280.843 3.201 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070091555 392177344 /nfs/dbraw/zinc/17/73/44/392177344.db2.gz GBZGKSGTLFLUSF-STQMWFEESA-N 2 1 264.438 3.191 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CCO1 ZINC000070345377 392181000 /nfs/dbraw/zinc/18/10/00/392181000.db2.gz RCZNTONXMPYJSO-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720253 392229998 /nfs/dbraw/zinc/22/99/98/392229998.db2.gz NUAZCMJXSXZXQE-RHSMWYFYSA-N 2 1 260.425 3.382 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@H](C)[C@H]1C)[NH+]1CC[C@H](C)[C@@H]1C ZINC000431599957 542653044 /nfs/dbraw/zinc/65/30/44/542653044.db2.gz LCMHCHNAJFFOOW-CWVYHPPDSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000431599957 542653045 /nfs/dbraw/zinc/65/30/45/542653045.db2.gz LCMHCHNAJFFOOW-CWVYHPPDSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@H](C)[C@H]1C)[N@H+]1CC[C@H](C)[C@@H]1C ZINC000431599957 542653046 /nfs/dbraw/zinc/65/30/46/542653046.db2.gz LCMHCHNAJFFOOW-CWVYHPPDSA-N 2 1 252.446 3.226 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000237553586 131040974 /nfs/dbraw/zinc/04/09/74/131040974.db2.gz ZLXKCGKFHUTUCY-CYBMUJFWSA-N 2 1 282.391 3.099 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC000237573667 131042728 /nfs/dbraw/zinc/04/27/28/131042728.db2.gz JTXDNGMIWUFXQB-CYBMUJFWSA-N 2 1 283.375 3.364 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000247211143 131102805 /nfs/dbraw/zinc/10/28/05/131102805.db2.gz VSWSGZCFMTVTFS-VBQJREDUSA-N 2 1 299.418 3.256 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000252674898 131136300 /nfs/dbraw/zinc/13/63/00/131136300.db2.gz VLBJEEBTNZNTEA-OIISXLGYSA-N 2 1 258.409 3.007 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000362031388 392391220 /nfs/dbraw/zinc/39/12/20/392391220.db2.gz ZZEAVTYGJYBFFW-HIFRSBDPSA-N 2 1 278.465 3.147 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000291302674 392460387 /nfs/dbraw/zinc/46/03/87/392460387.db2.gz SNXZVLPZXMLCNU-KDOFPFPSSA-N 2 1 288.435 3.091 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000291302673 392460666 /nfs/dbraw/zinc/46/06/66/392460666.db2.gz SNXZVLPZXMLCNU-KBXCAEBGSA-N 2 1 288.435 3.091 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370670550 392508113 /nfs/dbraw/zinc/50/81/13/392508113.db2.gz DRVXAVGPFMJIDJ-JJXSEGSLSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000296084044 392554167 /nfs/dbraw/zinc/55/41/67/392554167.db2.gz STGYWIMVVKNCGE-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCC1 ZINC000313410239 392666688 /nfs/dbraw/zinc/66/66/88/392666688.db2.gz NSMZMBPCDSWEON-KBMXLJTQSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000313410239 392666691 /nfs/dbraw/zinc/66/66/91/392666691.db2.gz NSMZMBPCDSWEON-KBMXLJTQSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000178090757 392670252 /nfs/dbraw/zinc/67/02/52/392670252.db2.gz ZEPDHZDRQMHRQR-XHBSWPGZSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000178090757 392670256 /nfs/dbraw/zinc/67/02/56/392670256.db2.gz ZEPDHZDRQMHRQR-XHBSWPGZSA-N 2 1 278.827 3.400 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000482501798 542706459 /nfs/dbraw/zinc/70/64/59/542706459.db2.gz CTMBXNJTDUMJLH-YJBOKZPZSA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647288715 392638828 /nfs/dbraw/zinc/63/88/28/392638828.db2.gz LTDRHQPSTKUDDP-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000647485390 392738813 /nfs/dbraw/zinc/73/88/13/392738813.db2.gz VHQUMARSBNCLAP-CYBMUJFWSA-N 2 1 298.833 3.343 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000647485390 392738816 /nfs/dbraw/zinc/73/88/16/392738816.db2.gz VHQUMARSBNCLAP-CYBMUJFWSA-N 2 1 298.833 3.343 20 0 CGADMP CC[C@H]1C[N@@H+](CCc2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000647497452 392740760 /nfs/dbraw/zinc/74/07/60/392740760.db2.gz IJJGAFMXNBPBAR-FUHWJXTLSA-N 2 1 274.452 3.412 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000647505957 392744278 /nfs/dbraw/zinc/74/42/78/392744278.db2.gz UBHQXFWTMYCTRS-QGZVFWFLSA-N 2 1 271.408 3.040 20 0 CGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000647514281 392746496 /nfs/dbraw/zinc/74/64/96/392746496.db2.gz XRCHSZUNKSDJEG-MRXNPFEDSA-N 2 1 296.842 3.040 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC000647543570 392761006 /nfs/dbraw/zinc/76/10/06/392761006.db2.gz PPSXVFMOVUZRNB-KGLIPLIRSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000375887797 392837682 /nfs/dbraw/zinc/83/76/82/392837682.db2.gz JNEYITXWCRDUKC-RBSFLKMASA-N 2 1 264.438 3.019 20 0 CGADMP CC[C@@H]1C[N@@H+](CCSc2ccc(C)c(C)c2)CC[C@H]1[NH3+] ZINC000647936793 392837895 /nfs/dbraw/zinc/83/78/95/392837895.db2.gz LMGQLHROUVSZGJ-NVXWUHKLSA-N 2 1 292.492 3.455 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCC1CCCC1)CC2 ZINC000375905656 392841229 /nfs/dbraw/zinc/84/12/29/392841229.db2.gz NFRQOFOMAGKSBB-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCC1CCCC1)CC2 ZINC000375905656 392841232 /nfs/dbraw/zinc/84/12/32/392841232.db2.gz NFRQOFOMAGKSBB-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP c1cc2c(cc[nH+]c2N[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000647847753 392813849 /nfs/dbraw/zinc/81/38/49/392813849.db2.gz OMWLTCUXBOGMHX-HNNXBMFYSA-N 2 1 292.386 3.249 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647874635 392820478 /nfs/dbraw/zinc/82/04/78/392820478.db2.gz IMHLDXWVOKSQSX-CHWSQXEVSA-N 2 1 258.365 3.035 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@@H+](C1CC1)C1CCCC1 ZINC000647875107 392821242 /nfs/dbraw/zinc/82/12/42/392821242.db2.gz VYHVCUGQAUZPKF-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCC2CC[NH2+]CC2)s1 ZINC000647884440 392824523 /nfs/dbraw/zinc/82/45/23/392824523.db2.gz QGWIFOCOLBPXBY-UHFFFAOYSA-N 2 1 266.454 3.268 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000647889402 392826621 /nfs/dbraw/zinc/82/66/21/392826621.db2.gz NIOBKUWNPXBZRT-HOTGVXAUSA-N 2 1 282.497 3.126 20 0 CGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647884940 392826972 /nfs/dbraw/zinc/82/69/72/392826972.db2.gz OFPZVMJLNUQYRI-RDJZCZTQSA-N 2 1 258.409 3.132 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375843997 392831352 /nfs/dbraw/zinc/83/13/52/392831352.db2.gz ZDSLPENCAGPQDF-GVDBMIGSSA-N 2 1 290.476 3.371 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977016 392853760 /nfs/dbraw/zinc/85/37/60/392853760.db2.gz XAECISCVBHVPKO-RBUKOAKNSA-N 2 1 286.463 3.331 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513660327 392853983 /nfs/dbraw/zinc/85/39/83/392853983.db2.gz HKPDZGCRLWCSRX-WRQOLXDDSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647989163 392858955 /nfs/dbraw/zinc/85/89/55/392858955.db2.gz RMZDPJIGRZSCLU-WBVHZDCISA-N 2 1 258.409 3.050 20 0 CGADMP Cc1cc(NCc2ccc(C[NH+]3CCCC3)cc2)nc(C)[nH+]1 ZINC000192723714 392859493 /nfs/dbraw/zinc/85/94/93/392859493.db2.gz SINZKIKBQLVLJO-UHFFFAOYSA-N 2 1 296.418 3.301 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000336522838 392860671 /nfs/dbraw/zinc/86/06/71/392860671.db2.gz MTFBNESJLFXING-UHFFFAOYSA-N 2 1 264.438 3.117 20 0 CGADMP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C[C@@H]2C1 ZINC000339076649 392945093 /nfs/dbraw/zinc/94/50/93/392945093.db2.gz WIAIYIBQZCIVBL-HMDCTGQHSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000340446217 392973703 /nfs/dbraw/zinc/97/37/03/392973703.db2.gz YSVPUPHPRUPKPV-UBDQQSCGSA-N 2 1 272.436 3.110 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340253302 392967238 /nfs/dbraw/zinc/96/72/38/392967238.db2.gz FFOFMMCGIPNZIZ-KBPBESRZSA-N 2 1 286.341 3.364 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340253302 392967242 /nfs/dbraw/zinc/96/72/42/392967242.db2.gz FFOFMMCGIPNZIZ-KBPBESRZSA-N 2 1 286.341 3.364 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCCC23CCCC3)CCOCC1 ZINC000340242901 392968535 /nfs/dbraw/zinc/96/85/35/392968535.db2.gz IEUIWCKDPHYYAL-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@H]1c1ccccc1 ZINC000559856695 542757786 /nfs/dbraw/zinc/75/77/86/542757786.db2.gz TVVAPEBIBBAZCZ-QPSCCSFWSA-N 2 1 280.362 3.065 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@H]1c1ccccc1 ZINC000559856695 542757788 /nfs/dbraw/zinc/75/77/88/542757788.db2.gz TVVAPEBIBBAZCZ-QPSCCSFWSA-N 2 1 280.362 3.065 20 0 CGADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340312106 392969896 /nfs/dbraw/zinc/96/98/96/392969896.db2.gz MWRADOYIQDSIPH-RTBURBONSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340312106 392969902 /nfs/dbraw/zinc/96/99/02/392969902.db2.gz MWRADOYIQDSIPH-RTBURBONSA-N 2 1 295.430 3.315 20 0 CGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340396796 392971693 /nfs/dbraw/zinc/97/16/93/392971693.db2.gz WSUCYTJQXHBWDY-IAGOWNOFSA-N 2 1 290.451 3.084 20 0 CGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340396796 392971699 /nfs/dbraw/zinc/97/16/99/392971699.db2.gz WSUCYTJQXHBWDY-IAGOWNOFSA-N 2 1 290.451 3.084 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000648417828 393007618 /nfs/dbraw/zinc/00/76/18/393007618.db2.gz BEFMHZCTSWWFSW-QAPCUYQASA-N 2 1 284.447 3.008 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000221918016 393008202 /nfs/dbraw/zinc/00/82/02/393008202.db2.gz URBSGJNEDRBRAQ-INIZCTEOSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000221918016 393008209 /nfs/dbraw/zinc/00/82/09/393008209.db2.gz URBSGJNEDRBRAQ-INIZCTEOSA-N 2 1 264.388 3.133 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000546934972 393084953 /nfs/dbraw/zinc/08/49/53/393084953.db2.gz GTRUWCUXYBJWSS-QGZVFWFLSA-N 2 1 297.531 3.161 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000467518356 393103879 /nfs/dbraw/zinc/10/38/79/393103879.db2.gz LOCZFVXADKEXHL-GQCTYLIASA-N 2 1 276.399 3.257 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000467518356 393103884 /nfs/dbraw/zinc/10/38/84/393103884.db2.gz LOCZFVXADKEXHL-GQCTYLIASA-N 2 1 276.399 3.257 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1C[C@H]1C ZINC000414087280 393038934 /nfs/dbraw/zinc/03/89/34/393038934.db2.gz ABFCHZDAADHJPS-TWMKSMIVSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000414178398 393042097 /nfs/dbraw/zinc/04/20/97/393042097.db2.gz JSMNRVIREUECQN-XPXVYLNCSA-N 2 1 274.399 3.129 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC[NH2+]1 ZINC000414663568 393051049 /nfs/dbraw/zinc/05/10/49/393051049.db2.gz BKCFPZXVDFAKSW-DZGCQCFKSA-N 2 1 276.399 3.178 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951692 393061145 /nfs/dbraw/zinc/06/11/45/393061145.db2.gz PYRJVZDEPZLSFK-DGCLKSJQSA-N 2 1 266.816 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000414954695 393062905 /nfs/dbraw/zinc/06/29/05/393062905.db2.gz SXXYLFNNNVJJCA-KOLCDFICSA-N 2 1 290.304 3.075 20 0 CGADMP CC/C=C\CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000546643317 393064036 /nfs/dbraw/zinc/06/40/36/393064036.db2.gz SBOIYGVHSLSSFE-SREVYHEPSA-N 2 1 252.446 3.395 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246785994 393064717 /nfs/dbraw/zinc/06/47/17/393064717.db2.gz MBCSZWDJRCJPEM-DOTOQJQBSA-N 2 1 262.441 3.125 20 0 CGADMP C(C1CCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246785994 393064721 /nfs/dbraw/zinc/06/47/21/393064721.db2.gz MBCSZWDJRCJPEM-DOTOQJQBSA-N 2 1 262.441 3.125 20 0 CGADMP C(C1CCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246785994 393064729 /nfs/dbraw/zinc/06/47/29/393064729.db2.gz MBCSZWDJRCJPEM-DOTOQJQBSA-N 2 1 262.441 3.125 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000246965565 393068072 /nfs/dbraw/zinc/06/80/72/393068072.db2.gz LLCMVKQCVVQQSS-BFZKSOEOSA-N 2 1 264.457 3.418 20 0 CGADMP C[NH2+][C@H](C)C[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414963341 393069098 /nfs/dbraw/zinc/06/90/98/393069098.db2.gz AQQVJFXUJFKQAC-HPUBIQBYSA-N 2 1 260.425 3.158 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000648510803 393073409 /nfs/dbraw/zinc/07/34/09/393073409.db2.gz XVJWBXKNEHZYFY-KYHPRHEASA-N 2 1 294.483 3.187 20 0 CGADMP FC(F)[C@H](CCc1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414979988 393077217 /nfs/dbraw/zinc/07/72/17/393077217.db2.gz VWWDDPNOPFKRCR-CVEARBPZSA-N 2 1 296.405 3.375 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1cccc(Cl)c1 ZINC000415047208 393110988 /nfs/dbraw/zinc/11/09/88/393110988.db2.gz VSKROOXREKMSIN-RISCZKNCSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000415044318 393111015 /nfs/dbraw/zinc/11/10/15/393111015.db2.gz BQOUMCZRUVEXQI-WBMJQRKESA-N 2 1 264.388 3.036 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250886083 393115355 /nfs/dbraw/zinc/11/53/55/393115355.db2.gz ZZOWDWKIMFMTLI-MJBXVCDLSA-N 2 1 264.438 3.334 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415055841 393116756 /nfs/dbraw/zinc/11/67/56/393116756.db2.gz RKUKDZMSCARXRP-MSOLQXFVSA-N 2 1 272.436 3.213 20 0 CGADMP COc1ccc2cc(C[NH2+][C@H](C[NH3+])C3CCCC3)ccc2c1 ZINC000415056178 393117729 /nfs/dbraw/zinc/11/77/29/393117729.db2.gz RUUQCTAZHDMSHI-LJQANCHMSA-N 2 1 298.430 3.456 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252758594 393127028 /nfs/dbraw/zinc/12/70/28/393127028.db2.gz FOIKOWIEFZHJLD-LOWVWBTDSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252758594 393127031 /nfs/dbraw/zinc/12/70/31/393127031.db2.gz FOIKOWIEFZHJLD-LOWVWBTDSA-N 2 1 297.240 3.179 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000468407952 393141041 /nfs/dbraw/zinc/14/10/41/393141041.db2.gz KPOARXIEYJHNBS-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000468407952 393141046 /nfs/dbraw/zinc/14/10/46/393141046.db2.gz KPOARXIEYJHNBS-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000468407952 393141051 /nfs/dbraw/zinc/14/10/51/393141051.db2.gz KPOARXIEYJHNBS-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CCCCC2 ZINC000261648413 393141414 /nfs/dbraw/zinc/14/14/14/393141414.db2.gz AWUPHXBUQADUJL-HOTGVXAUSA-N 2 1 264.457 3.278 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000415115107 393149090 /nfs/dbraw/zinc/14/90/90/393149090.db2.gz UECRTFNEZXSNTL-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C[C@H]1C[NH3+] ZINC000415134935 393155906 /nfs/dbraw/zinc/15/59/06/393155906.db2.gz WLVODSZWWGFYPN-GXTWGEPZSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C[C@H]1C[NH3+] ZINC000415134935 393155911 /nfs/dbraw/zinc/15/59/11/393155911.db2.gz WLVODSZWWGFYPN-GXTWGEPZSA-N 2 1 293.480 3.217 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000415135740 393156200 /nfs/dbraw/zinc/15/62/00/393156200.db2.gz QJQRKIASFPDKDY-UHFFFAOYSA-N 2 1 260.381 3.091 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000415135740 393156206 /nfs/dbraw/zinc/15/62/06/393156206.db2.gz QJQRKIASFPDKDY-UHFFFAOYSA-N 2 1 260.381 3.091 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415134197 393156317 /nfs/dbraw/zinc/15/63/17/393156317.db2.gz VTMJDDVKIQKINU-WBVHZDCISA-N 2 1 290.451 3.138 20 0 CGADMP CC[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CCO1 ZINC000648639391 393158285 /nfs/dbraw/zinc/15/82/85/393158285.db2.gz WYTDOGFAWSKNST-IKGGRYGDSA-N 2 1 282.472 3.044 20 0 CGADMP COc1cccc2c(N[C@H](C)CC[NH+](C)C)c(C)c[nH+]c12 ZINC000468698692 393158485 /nfs/dbraw/zinc/15/84/85/393158485.db2.gz NXRDXHAIOSSISI-CYBMUJFWSA-N 2 1 287.407 3.304 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000648772096 393245386 /nfs/dbraw/zinc/24/53/86/393245386.db2.gz OMDGKTQAZBRQAG-AVOUXACISA-N 2 1 278.465 3.284 20 0 CGADMP c1cc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2[nH]1 ZINC000271197563 393246655 /nfs/dbraw/zinc/24/66/55/393246655.db2.gz VBSNQIKRKRZFQW-INIZCTEOSA-N 2 1 297.446 3.476 20 0 CGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000354965710 393251830 /nfs/dbraw/zinc/25/18/30/393251830.db2.gz KPIZGMFJUYROLL-LRDDRELGSA-N 2 1 296.842 3.100 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000274798422 393290673 /nfs/dbraw/zinc/29/06/73/393290673.db2.gz NYYPZUPPZWCNHE-ZBFHGGJFSA-N 2 1 261.413 3.164 20 0 CGADMP Fc1ccccc1C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000647237288 393404799 /nfs/dbraw/zinc/40/47/99/393404799.db2.gz PDHMASDQXAOSIF-CABCVRRESA-N 2 1 288.410 3.421 20 0 CGADMP Fc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000647237288 393404803 /nfs/dbraw/zinc/40/48/03/393404803.db2.gz PDHMASDQXAOSIF-CABCVRRESA-N 2 1 288.410 3.421 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000474733990 393345187 /nfs/dbraw/zinc/34/51/87/393345187.db2.gz ZZOFAAIOLDFGSW-FGTMMUONSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(F)(F)CC1 ZINC000647168446 393365471 /nfs/dbraw/zinc/36/54/71/393365471.db2.gz VSXZVOLRLDNOHP-CYBMUJFWSA-N 2 1 274.399 3.418 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000475159439 393379881 /nfs/dbraw/zinc/37/98/81/393379881.db2.gz YDUWFZHPLTVWRK-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000480620087 393435849 /nfs/dbraw/zinc/43/58/49/393435849.db2.gz ZSPZHTOYZDWIQE-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000480620087 393435853 /nfs/dbraw/zinc/43/58/53/393435853.db2.gz ZSPZHTOYZDWIQE-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC000481990450 393438403 /nfs/dbraw/zinc/43/84/03/393438403.db2.gz JJQMANPVCJVWDY-LYYZXLFJSA-N 2 1 252.446 3.131 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483500241 393442437 /nfs/dbraw/zinc/44/24/37/393442437.db2.gz GVUFJHJPISTSNX-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483500241 393442444 /nfs/dbraw/zinc/44/24/44/393442444.db2.gz GVUFJHJPISTSNX-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483500241 393442450 /nfs/dbraw/zinc/44/24/50/393442450.db2.gz GVUFJHJPISTSNX-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000484284997 393445037 /nfs/dbraw/zinc/44/50/37/393445037.db2.gz AQNXKRBADIGUJX-YIYPIFLZSA-N 2 1 292.389 3.427 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000484284996 393445261 /nfs/dbraw/zinc/44/52/61/393445261.db2.gz AQNXKRBADIGUJX-XJFOESAGSA-N 2 1 292.389 3.427 20 0 CGADMP [NH3+][C@H]1CCC[C@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000420279029 393448557 /nfs/dbraw/zinc/44/85/57/393448557.db2.gz JNBBGCIVIPAFSO-AAEUAGOBSA-N 2 1 289.810 3.240 20 0 CGADMP COc1cccc2c(NC[C@H]3CCC[C@@H]([NH3+])C3)cc(C)[nH+]c12 ZINC000420292572 393451357 /nfs/dbraw/zinc/45/13/57/393451357.db2.gz WWHZIWQRPNWQGS-UONOGXRCSA-N 2 1 299.418 3.481 20 0 CGADMP CC(C)(C)C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420293832 393451940 /nfs/dbraw/zinc/45/19/40/393451940.db2.gz ANSWOLPTQNPDCE-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000420297387 393453369 /nfs/dbraw/zinc/45/33/69/393453369.db2.gz DCBKRVZFPHWYSL-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@H]1CCCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301636 393455951 /nfs/dbraw/zinc/45/59/51/393455951.db2.gz IQZHSQMJOYKWMB-HOTGVXAUSA-N 2 1 276.424 3.002 20 0 CGADMP Cc1ncsc1C[N@@H+](CCCCCF)C[C@H]1CC[NH2+]C1 ZINC000420301317 393456145 /nfs/dbraw/zinc/45/61/45/393456145.db2.gz APFKTZYBKDMXOT-AWEZNQCLSA-N 2 1 299.459 3.003 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420304256 393457766 /nfs/dbraw/zinc/45/77/66/393457766.db2.gz LJZHHPUWYQVBAT-AEFFLSMTSA-N 2 1 290.426 3.222 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000420312387 393460488 /nfs/dbraw/zinc/46/04/88/393460488.db2.gz WVTPWOZIRNEZNL-LZWOXQAQSA-N 2 1 276.424 3.000 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420317733 393462967 /nfs/dbraw/zinc/46/29/67/393462967.db2.gz NVJLMYJVHVLGDK-KGLIPLIRSA-N 2 1 272.392 3.425 20 0 CGADMP [NH3+]CCC[N@@H+](CCCCC1CCOCC1)CC1CCCC1 ZINC000420319752 393465177 /nfs/dbraw/zinc/46/51/77/393465177.db2.gz SBKBBSGKAQKERK-UHFFFAOYSA-N 2 1 296.499 3.424 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326055 393468930 /nfs/dbraw/zinc/46/89/30/393468930.db2.gz JBPLPAPXHKTVOD-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332695 393470639 /nfs/dbraw/zinc/47/06/39/393470639.db2.gz DQIWOWHMVSXFLM-DJIMGWMZSA-N 2 1 258.409 3.069 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359002 393471936 /nfs/dbraw/zinc/47/19/36/393471936.db2.gz FLNSRQXOBNQKLS-DLBZAZTESA-N 2 1 258.409 3.213 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC12CCC2 ZINC000357036044 393506022 /nfs/dbraw/zinc/50/60/22/393506022.db2.gz JXJBWXCCLKKNLI-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC12CCC2 ZINC000357036044 393506024 /nfs/dbraw/zinc/50/60/24/393506024.db2.gz JXJBWXCCLKKNLI-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC12CCC2 ZINC000357036044 393506027 /nfs/dbraw/zinc/50/60/27/393506027.db2.gz JXJBWXCCLKKNLI-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)C1CC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000488429556 393509995 /nfs/dbraw/zinc/50/99/95/393509995.db2.gz CSEDJXILOYRSOX-UHFFFAOYSA-N 2 1 286.463 3.459 20 0 CGADMP CC(C)C1CC([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000488429556 393510001 /nfs/dbraw/zinc/51/00/01/393510001.db2.gz CSEDJXILOYRSOX-UHFFFAOYSA-N 2 1 286.463 3.459 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000657313842 542795222 /nfs/dbraw/zinc/79/52/22/542795222.db2.gz VQCXAGIJUKSUMD-ZWKOTPCHSA-N 2 1 288.435 3.110 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000657313842 542795226 /nfs/dbraw/zinc/79/52/26/542795226.db2.gz VQCXAGIJUKSUMD-ZWKOTPCHSA-N 2 1 288.435 3.110 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccs1 ZINC000432420821 393612944 /nfs/dbraw/zinc/61/29/44/393612944.db2.gz DEAJYNPMUQCLAT-HUUCEWRRSA-N 2 1 296.480 3.290 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccs1 ZINC000432420821 393612947 /nfs/dbraw/zinc/61/29/47/393612947.db2.gz DEAJYNPMUQCLAT-HUUCEWRRSA-N 2 1 296.480 3.290 20 0 CGADMP COc1ccc(F)cc1CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000360950423 393623173 /nfs/dbraw/zinc/62/31/73/393623173.db2.gz CFBCRXRLBAGHCF-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000360950423 393623175 /nfs/dbraw/zinc/62/31/75/393623175.db2.gz CFBCRXRLBAGHCF-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000360950423 393623179 /nfs/dbraw/zinc/62/31/79/393623179.db2.gz CFBCRXRLBAGHCF-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000489976479 393624405 /nfs/dbraw/zinc/62/44/05/393624405.db2.gz GOSMDRSMXUYRES-WMZOPIPTSA-N 2 1 272.436 3.256 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360984944 393629484 /nfs/dbraw/zinc/62/94/84/393629484.db2.gz SRGNOKWCMHXCNS-VNQPRFMTSA-N 2 1 278.465 3.286 20 0 CGADMP Cc1ccc(C2CC[NH+](CCN3CCCCC3)CC2)cn1 ZINC000360996675 393633270 /nfs/dbraw/zinc/63/32/70/393633270.db2.gz DCPPNGAUDQSHKY-UHFFFAOYSA-N 2 1 287.451 3.055 20 0 CGADMP C[C@@H]([NH2+]CCC1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000432856935 393653347 /nfs/dbraw/zinc/65/33/47/393653347.db2.gz BZRKZRUOJMTSNM-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423273686 393657549 /nfs/dbraw/zinc/65/75/49/393657549.db2.gz KVLMUBRGXCSKJJ-KBPBESRZSA-N 2 1 297.240 3.009 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CC(C)(C)[NH3+])CCS2 ZINC000423286782 393659559 /nfs/dbraw/zinc/65/95/59/393659559.db2.gz ITKMCQGJKFNEJW-ZDUSSCGKSA-N 2 1 264.438 3.167 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423300016 393660021 /nfs/dbraw/zinc/66/00/21/393660021.db2.gz QVGGLWXQKKWOPC-UONOGXRCSA-N 2 1 264.413 3.172 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000423297506 393660242 /nfs/dbraw/zinc/66/02/42/393660242.db2.gz KOFVLSMMMHLULX-DZGCQCFKSA-N 2 1 264.413 3.253 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000423476516 393670381 /nfs/dbraw/zinc/67/03/81/393670381.db2.gz SOGPYDWUIBUDIE-QWHCGFSZSA-N 2 1 297.240 3.072 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccs1 ZINC000423535935 393673346 /nfs/dbraw/zinc/67/33/46/393673346.db2.gz YPLINRFGWDXYSJ-CHWSQXEVSA-N 2 1 252.427 3.306 20 0 CGADMP C[C@H](CNc1cc[nH+]c2ccsc21)C[NH+]1CCCC1 ZINC000443439081 393757234 /nfs/dbraw/zinc/75/72/34/393757234.db2.gz GJWWGCOMEQCXAY-GFCCVEGCSA-N 2 1 275.421 3.440 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC000499639016 393802598 /nfs/dbraw/zinc/80/25/98/393802598.db2.gz ZYYKBLRVEYDWEE-KSZLIROESA-N 2 1 298.515 3.395 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448074016 393868906 /nfs/dbraw/zinc/86/89/06/393868906.db2.gz IUFFGSGQEZTMKQ-OKILXGFUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448074016 393868910 /nfs/dbraw/zinc/86/89/10/393868910.db2.gz IUFFGSGQEZTMKQ-OKILXGFUSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449133564 393875622 /nfs/dbraw/zinc/87/56/22/393875622.db2.gz YXKGXIRFXKKCBX-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCC[C@H]1C ZINC000449146639 393875771 /nfs/dbraw/zinc/87/57/71/393875771.db2.gz CUZXYFVJLDBRCK-OWSLCNJRSA-N 2 1 296.499 3.028 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCOC)[NH+](C)C ZINC000502697722 393883135 /nfs/dbraw/zinc/88/31/35/393883135.db2.gz JFKIHTFEYOHYSE-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560833 393903794 /nfs/dbraw/zinc/90/37/94/393903794.db2.gz PZKDIXWKKSNPBQ-OHRKKDJYSA-N 2 1 250.430 3.170 20 0 CGADMP c1nc2n(c1C[N@H+]1CCCCC[C@@H]1c1ccncc1)CCC2 ZINC000667470676 542872016 /nfs/dbraw/zinc/87/20/16/542872016.db2.gz GJYOAVOAKPBXGD-QGZVFWFLSA-N 2 1 296.418 3.342 20 0 CGADMP c1nc2n(c1CN1CCCCC[C@@H]1c1ccncc1)CCC2 ZINC000667470676 542872018 /nfs/dbraw/zinc/87/20/18/542872018.db2.gz GJYOAVOAKPBXGD-QGZVFWFLSA-N 2 1 296.418 3.342 20 0 CGADMP CCn1ccnc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000453053298 394153493 /nfs/dbraw/zinc/15/34/93/394153493.db2.gz ABDFBGRURDBJSS-JKSUJKDBSA-N 2 1 292.471 3.208 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000453057274 394155462 /nfs/dbraw/zinc/15/54/62/394155462.db2.gz HUFIOWVQNFFVHO-JZXOWHBKSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453250148 394219837 /nfs/dbraw/zinc/21/98/37/394219837.db2.gz KNTKHGRJPTUJAK-HZPDHXFCSA-N 2 1 277.456 3.111 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453250148 394219840 /nfs/dbraw/zinc/21/98/40/394219840.db2.gz KNTKHGRJPTUJAK-HZPDHXFCSA-N 2 1 277.456 3.111 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)CC2)c(C)c1 ZINC000453248654 394219877 /nfs/dbraw/zinc/21/98/77/394219877.db2.gz LIKJGQGKQHLCGR-SJLPKXTDSA-N 2 1 286.463 3.265 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000453253408 394221944 /nfs/dbraw/zinc/22/19/44/394221944.db2.gz POWUUMOFICUKFM-LFEHRJTNSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)o1 ZINC000453393769 394230536 /nfs/dbraw/zinc/23/05/36/394230536.db2.gz GHGDFCMFMBCZOD-ZDUSSCGKSA-N 2 1 264.413 3.421 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453419379 394241123 /nfs/dbraw/zinc/24/11/23/394241123.db2.gz ZAAIHSAFHLKNQB-HNNXBMFYSA-N 2 1 279.403 3.136 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000453590823 394252268 /nfs/dbraw/zinc/25/22/68/394252268.db2.gz BQXDFTHSKWPSOE-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453597330 394253381 /nfs/dbraw/zinc/25/33/81/394253381.db2.gz NETXAEDPEIYQHR-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000453600240 394254546 /nfs/dbraw/zinc/25/45/46/394254546.db2.gz SATVRHANJCJQOJ-SJLPKXTDSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1ncc(C[N@@H+](Cc2ccc(F)cc2)C(C)C)n1C ZINC000667503492 542880823 /nfs/dbraw/zinc/88/08/23/542880823.db2.gz MXWSYQIOAXKBIC-UHFFFAOYSA-N 2 1 275.371 3.278 20 0 CGADMP Cc1ncc(CN(Cc2ccc(F)cc2)C(C)C)n1C ZINC000667503492 542880826 /nfs/dbraw/zinc/88/08/26/542880826.db2.gz MXWSYQIOAXKBIC-UHFFFAOYSA-N 2 1 275.371 3.278 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](Cc2cnc3n2CCC3)CC1 ZINC000667641995 542902142 /nfs/dbraw/zinc/90/21/42/542902142.db2.gz LJUOHYGRIJHFPX-CQSZACIVSA-N 2 1 261.413 3.087 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667786582 542929047 /nfs/dbraw/zinc/92/90/47/542929047.db2.gz VLCAPEQMTSEVEZ-NCOADZHNSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000667987822 542955012 /nfs/dbraw/zinc/95/50/12/542955012.db2.gz RQAVSQLLOBREFQ-AWEZNQCLSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000667987822 542955015 /nfs/dbraw/zinc/95/50/15/542955015.db2.gz RQAVSQLLOBREFQ-AWEZNQCLSA-N 2 1 284.407 3.135 20 0 CGADMP Cc1ncc(C[N@@H+](C)C(C)(C)c2ccccc2)n1C ZINC000668113838 542972505 /nfs/dbraw/zinc/97/25/05/542972505.db2.gz BCPFQLDFZUPCIW-UHFFFAOYSA-N 2 1 257.381 3.096 20 0 CGADMP Cc1ncc(CN(C)C(C)(C)c2ccccc2)n1C ZINC000668113838 542972508 /nfs/dbraw/zinc/97/25/08/542972508.db2.gz BCPFQLDFZUPCIW-UHFFFAOYSA-N 2 1 257.381 3.096 20 0 CGADMP Cc1[nH+]cc(CN2CCC[C@H]2c2ccc(F)cc2F)n1C ZINC000668226236 542993437 /nfs/dbraw/zinc/99/34/37/542993437.db2.gz HIOCZOLYTFBLNR-INIZCTEOSA-N 2 1 291.345 3.344 20 0 CGADMP CCn1cncc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000668478290 543018934 /nfs/dbraw/zinc/01/89/34/543018934.db2.gz MLXURGFYHWZWAF-UHFFFAOYSA-N 2 1 261.413 3.449 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000550930853 289091728 /nfs/dbraw/zinc/09/17/28/289091728.db2.gz KPVZWBNZASPCQJ-SJORKVTESA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000671753811 543186485 /nfs/dbraw/zinc/18/64/85/543186485.db2.gz UKDRBNMENOZUEU-ZACQAIPSSA-N 2 1 266.473 3.379 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000674048142 543265098 /nfs/dbraw/zinc/26/50/98/543265098.db2.gz BTZHUSRCBCKHLC-UHFFFAOYSA-N 2 1 291.826 3.048 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000037498675 397608307 /nfs/dbraw/zinc/60/83/07/397608307.db2.gz KOHUIKQJUJGZHS-GFCCVEGCSA-N 2 1 264.417 3.016 20 0 CGADMP C[N@H+](CCC[NH2+]Cc1ccc(O)cc1)C1CCCCC1 ZINC000037860278 397609058 /nfs/dbraw/zinc/60/90/58/397609058.db2.gz RZCNPEPGOUBJID-UHFFFAOYSA-N 2 1 276.424 3.136 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1ccc(O)cc1)C1CCCCC1 ZINC000037860278 397609061 /nfs/dbraw/zinc/60/90/61/397609061.db2.gz RZCNPEPGOUBJID-UHFFFAOYSA-N 2 1 276.424 3.136 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000187887743 397661912 /nfs/dbraw/zinc/66/19/12/397661912.db2.gz RSYXHSHCVRIYAV-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000394657970 397695674 /nfs/dbraw/zinc/69/56/74/397695674.db2.gz MYZAOCVNQQSBLL-OLZOCXBDSA-N 2 1 262.388 3.117 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCc2ccccc21 ZINC000649835599 397734640 /nfs/dbraw/zinc/73/46/40/397734640.db2.gz MEIGJGQCSKKMFL-NVXWUHKLSA-N 2 1 272.436 3.133 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCc2ccccc21 ZINC000649835599 397734642 /nfs/dbraw/zinc/73/46/42/397734642.db2.gz MEIGJGQCSKKMFL-NVXWUHKLSA-N 2 1 272.436 3.133 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCc2ccccc21 ZINC000649835599 397734646 /nfs/dbraw/zinc/73/46/46/397734646.db2.gz MEIGJGQCSKKMFL-NVXWUHKLSA-N 2 1 272.436 3.133 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000650513899 397861341 /nfs/dbraw/zinc/86/13/41/397861341.db2.gz NFJPIERTXFDGSS-UHFFFAOYSA-N 2 1 286.419 3.481 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000650710282 397898018 /nfs/dbraw/zinc/89/80/18/397898018.db2.gz KXIWIGMVTFDRII-KGLIPLIRSA-N 2 1 292.854 3.301 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC000650707624 397898160 /nfs/dbraw/zinc/89/81/60/397898160.db2.gz JVPPEMHSTWSBAV-KSZLIROESA-N 2 1 294.483 3.175 20 0 CGADMP CC[N@@H+](CCCN[C@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000650742432 397904962 /nfs/dbraw/zinc/90/49/62/397904962.db2.gz XWYKKIOUSVSKRW-ROUUACIJSA-N 2 1 295.515 3.281 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752236 397908550 /nfs/dbraw/zinc/90/85/50/397908550.db2.gz MMVUYOZUUFTUTN-GFCCVEGCSA-N 2 1 288.366 3.144 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)o1 ZINC000650753517 397909193 /nfs/dbraw/zinc/90/91/93/397909193.db2.gz PBEOJMWYTVIBGO-NSHDSACASA-N 2 1 276.355 3.291 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)[C@@H]2CCC[C@@H]21 ZINC000552244470 289174474 /nfs/dbraw/zinc/17/44/74/289174474.db2.gz BKCUPHDWFYOJNF-JYJNAYRXSA-N 2 1 264.457 3.418 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675788368 543365012 /nfs/dbraw/zinc/36/50/12/543365012.db2.gz RVBPYLXHFWMYTP-HUUCEWRRSA-N 2 1 290.451 3.045 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677238058 543440831 /nfs/dbraw/zinc/44/08/31/543440831.db2.gz VSSIZTMYRVSHOQ-MSOLQXFVSA-N 2 1 272.436 3.062 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)s1 ZINC000677754962 543463949 /nfs/dbraw/zinc/46/39/49/543463949.db2.gz NSAZSICFSFGANR-LLVKDONJSA-N 2 1 279.453 3.119 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CC2(C)COC2)CC1)CC(C)C ZINC000678635285 543548146 /nfs/dbraw/zinc/54/81/46/543548146.db2.gz RDSYCBSHYBLYEA-UHFFFAOYSA-N 2 1 296.499 3.103 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC[N@H+]1C ZINC000679011266 543582319 /nfs/dbraw/zinc/58/23/19/543582319.db2.gz BVVKFGAGKOENBK-GOEBONIOSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000555002687 289323907 /nfs/dbraw/zinc/32/39/07/289323907.db2.gz KHKDEFXNZKSWBJ-PMPSAXMXSA-N 2 1 262.441 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000555002687 289323908 /nfs/dbraw/zinc/32/39/08/289323908.db2.gz KHKDEFXNZKSWBJ-PMPSAXMXSA-N 2 1 262.441 3.497 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000414189196 286355188 /nfs/dbraw/zinc/35/51/88/286355188.db2.gz QQMGOZHOKBBGIP-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000556203339 289377081 /nfs/dbraw/zinc/37/70/81/289377081.db2.gz KNOZRBCLYLXCFF-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000556583737 289398229 /nfs/dbraw/zinc/39/82/29/289398229.db2.gz KWKFBROJHFESPD-LSDHHAIUSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)CO2 ZINC000514667661 292368813 /nfs/dbraw/zinc/36/88/13/292368813.db2.gz HRIFTAXCDUZHSA-ZMSDIMECSA-N 2 1 288.435 3.329 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCCO2 ZINC000336345837 292367589 /nfs/dbraw/zinc/36/75/89/292367589.db2.gz AWVMIZQINKRDKC-QGZVFWFLSA-N 2 1 286.419 3.060 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019943199 286882474 /nfs/dbraw/zinc/88/24/74/286882474.db2.gz ITNBAVRQRGQIFZ-HNNXBMFYSA-N 2 1 278.440 3.386 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000422689266 287052007 /nfs/dbraw/zinc/05/20/07/287052007.db2.gz FAQUWIMFJJCDAQ-AGIUHOORSA-N 2 1 266.816 3.379 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cccc2C)C1 ZINC000081516662 287073647 /nfs/dbraw/zinc/07/36/47/287073647.db2.gz BYSOEWBMDUMSSZ-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000081516662 287073649 /nfs/dbraw/zinc/07/36/49/287073649.db2.gz BYSOEWBMDUMSSZ-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000081516662 287073650 /nfs/dbraw/zinc/07/36/50/287073650.db2.gz BYSOEWBMDUMSSZ-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP C[N@H+](CCc1cccs1)CC[C@H]1CCCC[NH+]1C ZINC000075860647 165105147 /nfs/dbraw/zinc/10/51/47/165105147.db2.gz QNAPRAWNENXBBX-CQSZACIVSA-N 2 1 266.454 3.097 20 0 CGADMP C[NH+](CCc1cccs1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860647 165105152 /nfs/dbraw/zinc/10/51/52/165105152.db2.gz QNAPRAWNENXBBX-CQSZACIVSA-N 2 1 266.454 3.097 20 0 CGADMP C[NH+](CCc1cccs1)CC[C@H]1CCCC[N@H+]1C ZINC000075860647 165105158 /nfs/dbraw/zinc/10/51/58/165105158.db2.gz QNAPRAWNENXBBX-CQSZACIVSA-N 2 1 266.454 3.097 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085670213 165182399 /nfs/dbraw/zinc/18/23/99/165182399.db2.gz LKAMFEHDMJCDOT-TWMKSMIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749434 165214696 /nfs/dbraw/zinc/21/46/96/165214696.db2.gz BYGSOUFHPVBSNY-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000090340186 165232162 /nfs/dbraw/zinc/23/21/62/165232162.db2.gz UPHAWYWFKYQQRF-HOCLYGCPSA-N 2 1 276.424 3.220 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OCC)c2)CC1 ZINC000092165275 165284279 /nfs/dbraw/zinc/28/42/79/165284279.db2.gz AGPNSLSCMSBVJY-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCC)c2)CC1 ZINC000092165275 165284281 /nfs/dbraw/zinc/28/42/81/165284281.db2.gz AGPNSLSCMSBVJY-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000092566407 165303122 /nfs/dbraw/zinc/30/31/22/165303122.db2.gz NYAFLZKXRFBMIK-GOEBONIOSA-N 2 1 263.429 3.388 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)[nH]1 ZINC000093683867 165334667 /nfs/dbraw/zinc/33/46/67/165334667.db2.gz XRVCFBCSDHNBEX-INIZCTEOSA-N 2 1 297.446 3.476 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093861193 165338138 /nfs/dbraw/zinc/33/81/38/165338138.db2.gz IWFLLQHZNYQJIF-UHFFFAOYSA-N 2 1 286.419 3.265 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)c(C)c1 ZINC000094010917 165344056 /nfs/dbraw/zinc/34/40/56/165344056.db2.gz UDLGHHUTHDOZOL-OAHLLOKOSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422403 165350127 /nfs/dbraw/zinc/35/01/27/165350127.db2.gz KAHDOHGXOFXVEV-HUUCEWRRSA-N 2 1 282.472 3.187 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000093693382 287118815 /nfs/dbraw/zinc/11/88/15/287118815.db2.gz TXXBUXPQSZTJPJ-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccoc1 ZINC000094867687 287122992 /nfs/dbraw/zinc/12/29/92/287122992.db2.gz OEQOWXUEWXZQIJ-CQSZACIVSA-N 2 1 250.386 3.052 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000178695320 165638740 /nfs/dbraw/zinc/63/87/40/165638740.db2.gz NRDHQAVXBVCLFX-YVEFUNNKSA-N 2 1 287.382 3.244 20 0 CGADMP C[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](C)C3)c2)C1 ZINC000261387563 165815710 /nfs/dbraw/zinc/81/57/10/165815710.db2.gz LHEVPBFXLDWFSW-HOTGVXAUSA-N 2 1 272.436 3.370 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000113516307 287147848 /nfs/dbraw/zinc/14/78/48/287147848.db2.gz GLPFMCSVZFNUFJ-CYBMUJFWSA-N 2 1 298.883 3.316 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000113516307 287147853 /nfs/dbraw/zinc/14/78/53/287147853.db2.gz GLPFMCSVZFNUFJ-CYBMUJFWSA-N 2 1 298.883 3.316 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000120777498 287187222 /nfs/dbraw/zinc/18/72/22/287187222.db2.gz JEXHBMQQHLFJPT-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000004763267 170013460 /nfs/dbraw/zinc/01/34/60/170013460.db2.gz CVDKDHSFYXZZJZ-INIZCTEOSA-N 2 1 290.451 3.439 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccnc1 ZINC000020143261 171029266 /nfs/dbraw/zinc/02/92/66/171029266.db2.gz BYCQEOWJZTVYLZ-GFCCVEGCSA-N 2 1 261.413 3.041 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1F ZINC000020189378 171055473 /nfs/dbraw/zinc/05/54/73/171055473.db2.gz NYJOBDIFXYOYDV-CYBMUJFWSA-N 2 1 294.414 3.358 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000037267177 173077835 /nfs/dbraw/zinc/07/78/35/173077835.db2.gz NQHAPMYREZBCCM-QGZVFWFLSA-N 2 1 258.409 3.138 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000285766730 196391556 /nfs/dbraw/zinc/39/15/56/196391556.db2.gz SZVKQKVSNHQITM-SJORKVTESA-N 2 1 290.476 3.266 20 0 CGADMP CC[C@@H]1C[C@@H](C[N@@H+](CCC[NH3+])CC2CCCC2)CCO1 ZINC000352525658 287281091 /nfs/dbraw/zinc/28/10/91/287281091.db2.gz HYIYGWLXMWDZPI-DLBZAZTESA-N 2 1 282.472 3.033 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127848025 287297093 /nfs/dbraw/zinc/29/70/93/287297093.db2.gz ZJFNPDOZWZFLNH-ZIAGYGMSSA-N 2 1 266.404 3.249 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127848025 287297095 /nfs/dbraw/zinc/29/70/95/287297095.db2.gz ZJFNPDOZWZFLNH-ZIAGYGMSSA-N 2 1 266.404 3.249 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019912926 287297875 /nfs/dbraw/zinc/29/78/75/287297875.db2.gz GQJVWERTCQMYNO-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2[nH+]1 ZINC000044537997 175199609 /nfs/dbraw/zinc/19/96/09/175199609.db2.gz KXWLHKGLPKFNSS-AWEZNQCLSA-N 2 1 269.392 3.297 20 0 CGADMP CCc1nc(NC2CC[NH+](C(C)(C)C)CC2)cc(C)[nH+]1 ZINC000286328055 196568569 /nfs/dbraw/zinc/56/85/69/196568569.db2.gz JPKCWUQPGQMGGU-UHFFFAOYSA-N 2 1 276.428 3.022 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420365525 287302856 /nfs/dbraw/zinc/30/28/56/287302856.db2.gz LFLFTYSZZNGQMV-OIISXLGYSA-N 2 1 282.472 3.079 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475125612 287306829 /nfs/dbraw/zinc/30/68/29/287306829.db2.gz UMXKYOFVMWGRPW-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000128859130 287319760 /nfs/dbraw/zinc/31/97/60/287319760.db2.gz CQQWSECZKBCDPD-XQHKEYJVSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000128859130 287319761 /nfs/dbraw/zinc/31/97/61/287319761.db2.gz CQQWSECZKBCDPD-XQHKEYJVSA-N 2 1 278.362 3.037 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccon2)CC1 ZINC000077278187 177247784 /nfs/dbraw/zinc/24/77/84/177247784.db2.gz QHPQVCJMRUTYAQ-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccon2)CC1 ZINC000077278187 177247785 /nfs/dbraw/zinc/24/77/85/177247785.db2.gz QHPQVCJMRUTYAQ-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953748 416478512 /nfs/dbraw/zinc/47/85/12/416478512.db2.gz AAZHORQEXAPRAS-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000308633348 416529295 /nfs/dbraw/zinc/52/92/95/416529295.db2.gz KAPMEOFCRGWKCL-OAHLLOKOSA-N 2 1 288.435 3.017 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417915315 416561930 /nfs/dbraw/zinc/56/19/30/416561930.db2.gz UJDHJOHMKAGDPG-PVAVHDDUSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000402814320 416547231 /nfs/dbraw/zinc/54/72/31/416547231.db2.gz MAVHMVQBUMJTGS-PVAVHDDUSA-N 2 1 258.409 3.117 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404422800 416553968 /nfs/dbraw/zinc/55/39/68/416553968.db2.gz JPGMTKLBZKQTQM-AAEUAGOBSA-N 2 1 252.427 3.006 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)[C@@H]1CC[NH3+] ZINC000404405205 416554795 /nfs/dbraw/zinc/55/47/95/416554795.db2.gz UIUWVKIRALLXAF-KBXCAEBGSA-N 2 1 283.419 3.184 20 0 CGADMP C[C@]1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000679043455 543585925 /nfs/dbraw/zinc/58/59/25/543585925.db2.gz IJOZBKJDTXZRNZ-LNLFQRSKSA-N 2 1 284.447 3.455 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340720 543622493 /nfs/dbraw/zinc/62/24/93/543622493.db2.gz PUWUXAOQUGFMNT-HOTGVXAUSA-N 2 1 284.488 3.028 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340720 543622495 /nfs/dbraw/zinc/62/24/95/543622495.db2.gz PUWUXAOQUGFMNT-HOTGVXAUSA-N 2 1 284.488 3.028 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449081818 287347853 /nfs/dbraw/zinc/34/78/53/287347853.db2.gz IEZSYYLRTBODLI-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP Oc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000679398639 543635433 /nfs/dbraw/zinc/63/54/33/543635433.db2.gz YFGONQYLBIMCFC-UHFFFAOYSA-N 2 1 288.435 3.136 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000679721050 543657640 /nfs/dbraw/zinc/65/76/40/543657640.db2.gz FWEPDYXILWKYET-CVEARBPZSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000679721050 543657642 /nfs/dbraw/zinc/65/76/42/543657642.db2.gz FWEPDYXILWKYET-CVEARBPZSA-N 2 1 287.451 3.133 20 0 CGADMP CC(C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679722218 543658566 /nfs/dbraw/zinc/65/85/66/543658566.db2.gz ZNEGMWSZZOKIJE-KZNAEPCWSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1C ZINC000681412984 543788407 /nfs/dbraw/zinc/78/84/07/543788407.db2.gz YDBANPMFBWQDSM-FMKPAKJESA-N 2 1 263.429 3.386 20 0 CGADMP Cc1cccc(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000681208176 543773547 /nfs/dbraw/zinc/77/35/47/543773547.db2.gz ZFQCPUKFMLQKAZ-UHFFFAOYSA-N 2 1 287.451 3.482 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)CC[N@@H+]1C ZINC000682070653 543819606 /nfs/dbraw/zinc/81/96/06/543819606.db2.gz DWUFLMVHXNYTIL-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)CC[N@H+]1C ZINC000682070653 543819608 /nfs/dbraw/zinc/81/96/08/543819608.db2.gz DWUFLMVHXNYTIL-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)CC[NH+]1C ZINC000682070653 543819609 /nfs/dbraw/zinc/81/96/09/543819609.db2.gz DWUFLMVHXNYTIL-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)CC[NH+]1C ZINC000682070653 543819610 /nfs/dbraw/zinc/81/96/10/543819610.db2.gz DWUFLMVHXNYTIL-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071775 543820458 /nfs/dbraw/zinc/82/04/58/543820458.db2.gz IZQSCRBYZWVIGI-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071775 543820461 /nfs/dbraw/zinc/82/04/61/543820461.db2.gz IZQSCRBYZWVIGI-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071775 543820463 /nfs/dbraw/zinc/82/04/63/543820463.db2.gz IZQSCRBYZWVIGI-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071775 543820465 /nfs/dbraw/zinc/82/04/65/543820465.db2.gz IZQSCRBYZWVIGI-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000131571921 287383826 /nfs/dbraw/zinc/38/38/26/287383826.db2.gz GAOKENWZEMTKHB-INMHGKMJSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C)n1 ZINC000682916769 543878230 /nfs/dbraw/zinc/87/82/30/543878230.db2.gz SJPCQRBOKDIYPI-OAHLLOKOSA-N 2 1 289.467 3.471 20 0 CGADMP Cc1ccc(CCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cn1 ZINC000684360515 543984956 /nfs/dbraw/zinc/98/49/56/543984956.db2.gz FRPOVZSPZUKDOG-SFHVURJKSA-N 2 1 289.467 3.129 20 0 CGADMP Cc1ccc(CCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000684360515 543984959 /nfs/dbraw/zinc/98/49/59/543984959.db2.gz FRPOVZSPZUKDOG-SFHVURJKSA-N 2 1 289.467 3.129 20 0 CGADMP Cc1ccc(CCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000684360515 543984962 /nfs/dbraw/zinc/98/49/62/543984962.db2.gz FRPOVZSPZUKDOG-SFHVURJKSA-N 2 1 289.467 3.129 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000684369933 543987154 /nfs/dbraw/zinc/98/71/54/543987154.db2.gz FGCMYTHJSFDTST-BRWVUGGUSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)c1 ZINC000684377338 543988321 /nfs/dbraw/zinc/98/83/21/543988321.db2.gz KOWRTWIACZFYSS-QZTJIDSGSA-N 2 1 290.451 3.186 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000685455667 544073565 /nfs/dbraw/zinc/07/35/65/544073565.db2.gz GFOAADMKRRGNFD-CABCVRRESA-N 2 1 280.481 3.389 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000685658049 544093184 /nfs/dbraw/zinc/09/31/84/544093184.db2.gz BDLKFRAMIWHILV-ZIAGYGMSSA-N 2 1 268.470 3.389 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000685658049 544093185 /nfs/dbraw/zinc/09/31/85/544093185.db2.gz BDLKFRAMIWHILV-ZIAGYGMSSA-N 2 1 268.470 3.389 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741374 418936381 /nfs/dbraw/zinc/93/63/81/418936381.db2.gz CHLRRTFDUWFNIP-BSWAZPDLSA-N 2 1 274.452 3.359 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221901 418937721 /nfs/dbraw/zinc/93/77/21/418937721.db2.gz AAFSNXULEYSREP-OAHLLOKOSA-N 2 1 263.429 3.019 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652221901 418937723 /nfs/dbraw/zinc/93/77/23/418937723.db2.gz AAFSNXULEYSREP-OAHLLOKOSA-N 2 1 263.429 3.019 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000652222740 418938505 /nfs/dbraw/zinc/93/85/05/418938505.db2.gz WMOMEWOPLBFXQE-HNNXBMFYSA-N 2 1 280.460 3.093 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000652222740 418938507 /nfs/dbraw/zinc/93/85/07/418938507.db2.gz WMOMEWOPLBFXQE-HNNXBMFYSA-N 2 1 280.460 3.093 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000652358559 418956182 /nfs/dbraw/zinc/95/61/82/418956182.db2.gz RPHRWUKFZIUEHZ-CQSZACIVSA-N 2 1 272.392 3.091 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659944612 419041931 /nfs/dbraw/zinc/04/19/31/419041931.db2.gz MXHPTHXPFYWTMQ-BDXSIMOUSA-N 2 1 276.468 3.373 20 0 CGADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659944619 419042732 /nfs/dbraw/zinc/04/27/32/419042732.db2.gz MXHPTHXPFYWTMQ-XDNAFOTISA-N 2 1 276.468 3.373 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)Nc1cc(C)nc(C2CC2)n1 ZINC000664609851 418986314 /nfs/dbraw/zinc/98/63/14/418986314.db2.gz PQBGXQUSQIOHAB-UHFFFAOYSA-N 2 1 276.428 3.195 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2occc2c1 ZINC000665237938 419088500 /nfs/dbraw/zinc/08/85/00/419088500.db2.gz MINMCPSHOIDGBC-RDTXWAMCSA-N 2 1 294.398 3.481 20 0 CGADMP CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251245 419094294 /nfs/dbraw/zinc/09/42/94/419094294.db2.gz KVYMYEWLKKHDEV-GVDBMIGSSA-N 2 1 260.425 3.300 20 0 CGADMP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257168 419094754 /nfs/dbraw/zinc/09/47/54/419094754.db2.gz BHNAHALBJVMDDB-APHBMKBZSA-N 2 1 264.388 3.049 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)O1 ZINC000665265521 419097264 /nfs/dbraw/zinc/09/72/64/419097264.db2.gz XHHOYBKVNKHPGN-SPUZQDLCSA-N 2 1 288.435 3.027 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000665282075 419102620 /nfs/dbraw/zinc/10/26/20/419102620.db2.gz QDFNCEVCEMETIC-AEFFLSMTSA-N 2 1 283.419 3.134 20 0 CGADMP CC(C)N1CCCC[C@H]1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665290079 419106394 /nfs/dbraw/zinc/10/63/94/419106394.db2.gz IMOZTMPTSUKMML-SJORKVTESA-N 2 1 264.457 3.371 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000653577536 419053845 /nfs/dbraw/zinc/05/38/45/419053845.db2.gz RRGZDOCWKMEDQE-UHFFFAOYSA-N 2 1 287.382 3.161 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(C)(C)C2CC2)CC1 ZINC000653642764 419065122 /nfs/dbraw/zinc/06/51/22/419065122.db2.gz VHSOECSDDHQUQM-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP C(CCC1CCCC1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655717715 419075993 /nfs/dbraw/zinc/07/59/93/419075993.db2.gz HTUYTTMVRUIXJY-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCc1c(F)cccc1F ZINC000655939590 419129551 /nfs/dbraw/zinc/12/95/51/419129551.db2.gz QLOJNBYAWNYCPH-CYBMUJFWSA-N 2 1 282.378 3.101 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CC=CC2)CC1 ZINC000660430600 419143205 /nfs/dbraw/zinc/14/32/05/419143205.db2.gz OQAHGKVRPGVMRK-UHFFFAOYSA-N 2 1 272.392 3.199 20 0 CGADMP C1=CCC(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660436550 419143606 /nfs/dbraw/zinc/14/36/06/419143606.db2.gz RVEFJMRQPPNTHV-UHFFFAOYSA-N 2 1 285.435 3.365 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654490 419177559 /nfs/dbraw/zinc/17/75/59/419177559.db2.gz GMDGDEUZOHETNY-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654490 419177562 /nfs/dbraw/zinc/17/75/62/419177562.db2.gz GMDGDEUZOHETNY-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654490 419177564 /nfs/dbraw/zinc/17/75/64/419177564.db2.gz GMDGDEUZOHETNY-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654490 419177568 /nfs/dbraw/zinc/17/75/68/419177568.db2.gz GMDGDEUZOHETNY-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1C=CCCCCC1)C2 ZINC000660662347 419179081 /nfs/dbraw/zinc/17/90/81/419179081.db2.gz IOGGLHUPGMOKKX-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000660662347 419179083 /nfs/dbraw/zinc/17/90/83/419179083.db2.gz IOGGLHUPGMOKKX-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1C=CCCCCC1)C2 ZINC000660662347 419179085 /nfs/dbraw/zinc/17/90/85/419179085.db2.gz IOGGLHUPGMOKKX-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP CCCCOCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674429 419181402 /nfs/dbraw/zinc/18/14/02/419181402.db2.gz BTMKTZJLNPUCQA-UHFFFAOYSA-N 2 1 290.451 3.057 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cccc3C)[nH]2)C1 ZINC000657337539 419254398 /nfs/dbraw/zinc/25/43/98/419254398.db2.gz YLWAKRXTRPQONB-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657355462 419258098 /nfs/dbraw/zinc/25/80/98/419258098.db2.gz PAODXUNRSIPQND-OOHWJJMZSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)[nH]c2c1 ZINC000657374968 419262965 /nfs/dbraw/zinc/26/29/65/419262965.db2.gz BDEAJCJWNYZUOF-HIFRSBDPSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)[nH]c2c1 ZINC000657374968 419262967 /nfs/dbraw/zinc/26/29/67/419262967.db2.gz BDEAJCJWNYZUOF-HIFRSBDPSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785213 419218313 /nfs/dbraw/zinc/21/83/13/419218313.db2.gz KPUDXYDRXLDHPU-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2F)CC2CC2)CC[NH2+]1 ZINC000656792605 419222390 /nfs/dbraw/zinc/22/23/90/419222390.db2.gz TZTXQIHCGQURBK-GDBMZVCRSA-N 2 1 290.426 3.426 20 0 CGADMP CC[NH+](CC)Cc1ccc(NCc2c[nH+]c3n2CCC3)cc1 ZINC000657445030 419280494 /nfs/dbraw/zinc/28/04/94/419280494.db2.gz WFJKCHCMTFWALS-UHFFFAOYSA-N 2 1 298.434 3.283 20 0 CGADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000657590233 419311650 /nfs/dbraw/zinc/31/16/50/419311650.db2.gz YHGDYALTTMLQLS-DRRXZNNHSA-N 2 1 264.457 3.275 20 0 CGADMP CCC(CC)CCC[N@H+](C)CCn1cc[nH+]c1C ZINC000662035291 419326006 /nfs/dbraw/zinc/32/60/06/419326006.db2.gz CQAUZXKCIGYZJH-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP CCC(CC)CCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000662035291 419326007 /nfs/dbraw/zinc/32/60/07/419326007.db2.gz CQAUZXKCIGYZJH-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[C@H]1C ZINC000657677195 419326327 /nfs/dbraw/zinc/32/63/27/419326327.db2.gz AHPPFGBEGVZULS-KQTLUZQSSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1C[C@H]1C ZINC000657677195 419326330 /nfs/dbraw/zinc/32/63/30/419326330.db2.gz AHPPFGBEGVZULS-KQTLUZQSSA-N 2 1 250.430 3.028 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751935 419336832 /nfs/dbraw/zinc/33/68/32/419336832.db2.gz WIPYXCYMBOQBJP-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657891654 419412002 /nfs/dbraw/zinc/41/20/02/419412002.db2.gz VOLUHUFMQLKMRH-NSHDSACASA-N 2 1 273.371 3.241 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCCSCC1)Cc1ccccc1 ZINC000657823388 419371994 /nfs/dbraw/zinc/37/19/94/419371994.db2.gz FFYLRNRVOGIOGW-KRWDZBQOSA-N 2 1 292.492 3.384 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662266779 419374933 /nfs/dbraw/zinc/37/49/33/419374933.db2.gz OXDVKAHEEIJZJF-VXGBXAGGSA-N 2 1 284.856 3.101 20 0 CGADMP Clc1cccc(SCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000662267284 419375086 /nfs/dbraw/zinc/37/50/86/419375086.db2.gz UMPNTNYFRUHDLW-HNNXBMFYSA-N 2 1 296.867 3.118 20 0 CGADMP Clc1cccc(SCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000662267284 419375090 /nfs/dbraw/zinc/37/50/90/419375090.db2.gz UMPNTNYFRUHDLW-HNNXBMFYSA-N 2 1 296.867 3.118 20 0 CGADMP C[N@@H+](CC[C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263767 419377440 /nfs/dbraw/zinc/37/74/40/419377440.db2.gz FBUFCZHHOHJQSX-HRBLRVMOSA-N 2 1 284.447 3.321 20 0 CGADMP CC[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000662271518 419380080 /nfs/dbraw/zinc/38/00/80/419380080.db2.gz VOIITGOKPFVVNO-IUODEOHRSA-N 2 1 298.883 3.491 20 0 CGADMP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000657839373 419380882 /nfs/dbraw/zinc/38/08/82/419380882.db2.gz TUOYFJZKWBJEEX-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@@H]1C[NH3+] ZINC000662280133 419381544 /nfs/dbraw/zinc/38/15/44/419381544.db2.gz CTZOBAXAHPIZMF-PVAVHDDUSA-N 2 1 272.436 3.023 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]2c2ccncc2)c2c(c1)C[NH2+]CC2 ZINC000662277193 419382300 /nfs/dbraw/zinc/38/23/00/419382300.db2.gz PMIAGIHHCASPFH-IBGZPJMESA-N 2 1 293.414 3.064 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662273287 419382515 /nfs/dbraw/zinc/38/25/15/419382515.db2.gz NIYMKYHUJFQQJB-KBAYOESNSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662273291 419382943 /nfs/dbraw/zinc/38/29/43/419382943.db2.gz NIYMKYHUJFQQJB-NXHRZFHOSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657842971 419383653 /nfs/dbraw/zinc/38/36/53/419383653.db2.gz CSOULDQZWONKNF-CYBMUJFWSA-N 2 1 288.426 3.174 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657842971 419383658 /nfs/dbraw/zinc/38/36/58/419383658.db2.gz CSOULDQZWONKNF-CYBMUJFWSA-N 2 1 288.426 3.174 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+]1CCc2ccccc2[C@H]1CN ZINC000662285230 419384590 /nfs/dbraw/zinc/38/45/90/419384590.db2.gz HWRAPEYAIBWHHY-SWLSCSKDSA-N 2 1 282.378 3.226 20 0 CGADMP Clc1cccc(SCC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000662283918 419384701 /nfs/dbraw/zinc/38/47/01/419384701.db2.gz RKMFLMHUAJEBHB-UHFFFAOYSA-N 2 1 296.867 3.260 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCCSCC2)([NH+](C)C)C1 ZINC000657845032 419385213 /nfs/dbraw/zinc/38/52/13/419385213.db2.gz PECOXOQCDYCYIO-BZUAXINKSA-N 2 1 284.513 3.372 20 0 CGADMP CO[C@@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000662283117 419385346 /nfs/dbraw/zinc/38/53/46/419385346.db2.gz LHOFKTQGXLUCTC-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2CC1CCC(c2ccccc2)CC1 ZINC000662306726 419387154 /nfs/dbraw/zinc/38/71/54/419387154.db2.gz SNWRDZFMDXZUFR-UHFFFAOYSA-N 2 1 284.447 3.384 20 0 CGADMP c1cc2c(cccc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000663345310 419568072 /nfs/dbraw/zinc/56/80/72/419568072.db2.gz IEEIXEOMJKAWKM-INIZCTEOSA-N 2 1 297.446 3.380 20 0 CGADMP C[C@@H](CNc1[nH+]ccc2[nH]ccc21)[N@H+]1CCC[C@H](C)C1 ZINC000663389959 419585614 /nfs/dbraw/zinc/58/56/14/419585614.db2.gz ZZKYWDPIWPAMBW-STQMWFEESA-N 2 1 272.396 3.095 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC000663466009 419616284 /nfs/dbraw/zinc/61/62/84/419616284.db2.gz MZHGCGHRPNMXDU-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663468496 419622253 /nfs/dbraw/zinc/62/22/53/419622253.db2.gz LMHFVTFYVVRVGK-DOTOQJQBSA-N 2 1 264.457 3.133 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469573 419625128 /nfs/dbraw/zinc/62/51/28/419625128.db2.gz QOICZZYTVUWZRB-OFQRWUPVSA-N 2 1 252.446 3.133 20 0 CGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CC=CCC2)c1 ZINC000663693930 419683201 /nfs/dbraw/zinc/68/32/01/419683201.db2.gz XYVUIQQUJPGURX-UHFFFAOYSA-N 2 1 270.420 3.434 20 0 CGADMP CC1(C)CC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658227742 419683904 /nfs/dbraw/zinc/68/39/04/419683904.db2.gz CCWZKKKSWFOSDY-ZDUSSCGKSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658227742 419683910 /nfs/dbraw/zinc/68/39/10/419683910.db2.gz CCWZKKKSWFOSDY-ZDUSSCGKSA-N 2 1 250.430 3.172 20 0 CGADMP C1C[N@@H+](C2CCCCC2)C[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000658230372 419688799 /nfs/dbraw/zinc/68/87/99/419688799.db2.gz MQYDVYIWVLDAGB-HUUCEWRRSA-N 2 1 282.497 3.269 20 0 CGADMP C1C[N@H+](C2CCCCC2)C[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000658230372 419688805 /nfs/dbraw/zinc/68/88/05/419688805.db2.gz MQYDVYIWVLDAGB-HUUCEWRRSA-N 2 1 282.497 3.269 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1n1ccnc1 ZINC000179476405 260050692 /nfs/dbraw/zinc/05/06/92/260050692.db2.gz RZUVNEVESSSUBI-BEFAXECRSA-N 2 1 295.430 3.455 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000180203983 260095437 /nfs/dbraw/zinc/09/54/37/260095437.db2.gz FYPMTTNNRUKFPJ-MRXNPFEDSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000180203983 260095439 /nfs/dbraw/zinc/09/54/39/260095439.db2.gz FYPMTTNNRUKFPJ-MRXNPFEDSA-N 2 1 290.426 3.442 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394527036 261383147 /nfs/dbraw/zinc/38/31/47/261383147.db2.gz GCORARDQFLQHBF-ZBFHGGJFSA-N 2 1 252.446 3.406 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)C1CCSCC1)[NH+](C)C ZINC000186982815 262120078 /nfs/dbraw/zinc/12/00/78/262120078.db2.gz GTKURHZPXOSGGR-CZUORRHYSA-N 2 1 286.529 3.474 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000390670751 262238429 /nfs/dbraw/zinc/23/84/29/262238429.db2.gz RYYUNEIAGWBCGQ-SYQHCUMBSA-N 2 1 274.399 3.130 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000221928719 262328024 /nfs/dbraw/zinc/32/80/24/262328024.db2.gz JNTXRSWVTWTASB-SZMVWBNQSA-N 2 1 274.452 3.356 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC000390836048 262350004 /nfs/dbraw/zinc/35/00/04/262350004.db2.gz JJCQDYDHRLPMNA-QQOZWVEPSA-N 2 1 264.457 3.416 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535103 270036257 /nfs/dbraw/zinc/03/62/57/270036257.db2.gz BBADGCCTJQPTSQ-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044535475 270036519 /nfs/dbraw/zinc/03/65/19/270036519.db2.gz XNHKNAMLTXDEDZ-WBVHZDCISA-N 2 1 260.425 3.459 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182822957 270054484 /nfs/dbraw/zinc/05/44/84/270054484.db2.gz KOSAWCWIBNYYOE-KRWDZBQOSA-N 2 1 292.442 3.422 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182822957 270054485 /nfs/dbraw/zinc/05/44/85/270054485.db2.gz KOSAWCWIBNYYOE-KRWDZBQOSA-N 2 1 292.442 3.422 20 0 CGADMP CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183194570 270055315 /nfs/dbraw/zinc/05/53/15/270055315.db2.gz BGLAKMKTKNXVLR-RRFJBIMHSA-N 2 1 252.446 3.418 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000185464451 270062871 /nfs/dbraw/zinc/06/28/71/270062871.db2.gz XJLANRHGWGCACO-HNNXBMFYSA-N 2 1 290.476 3.373 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC2CC2)[C@H](C)C1 ZINC000186339931 270065665 /nfs/dbraw/zinc/06/56/65/270065665.db2.gz FRZPBEURMYAUHY-RYRKJORJSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000223117634 270086178 /nfs/dbraw/zinc/08/61/78/270086178.db2.gz NFEAOUXWIVOEMX-XUWVNRHRSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000223117634 270086179 /nfs/dbraw/zinc/08/61/79/270086179.db2.gz NFEAOUXWIVOEMX-XUWVNRHRSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000222666743 270086195 /nfs/dbraw/zinc/08/61/95/270086195.db2.gz XHIFLJMMJMYWEQ-DGADGQDISA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000227497273 270087046 /nfs/dbraw/zinc/08/70/46/270087046.db2.gz BSSYTQZEIWEAQH-KBPBESRZSA-N 2 1 269.392 3.438 20 0 CGADMP Cc1occc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000321279299 270093336 /nfs/dbraw/zinc/09/33/36/270093336.db2.gz SOVCDTSNECGFCT-KRWDZBQOSA-N 2 1 284.403 3.200 20 0 CGADMP Cc1occc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000321279299 270093337 /nfs/dbraw/zinc/09/33/37/270093337.db2.gz SOVCDTSNECGFCT-KRWDZBQOSA-N 2 1 284.403 3.200 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000322281021 270093629 /nfs/dbraw/zinc/09/36/29/270093629.db2.gz NUJFXJWUEBLWPX-UYTSQGDYSA-N 2 1 250.430 3.170 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CCCc2cncn2C)c1 ZINC000520832983 270099281 /nfs/dbraw/zinc/09/92/81/270099281.db2.gz BNPJJQVAQRJWCQ-SFHVURJKSA-N 2 1 299.418 3.198 20 0 CGADMP COc1cccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000520832983 270099282 /nfs/dbraw/zinc/09/92/82/270099282.db2.gz BNPJJQVAQRJWCQ-SFHVURJKSA-N 2 1 299.418 3.198 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000520832983 270099283 /nfs/dbraw/zinc/09/92/83/270099283.db2.gz BNPJJQVAQRJWCQ-SFHVURJKSA-N 2 1 299.418 3.198 20 0 CGADMP CC(C)CCC[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000526113140 270123124 /nfs/dbraw/zinc/12/31/24/270123124.db2.gz MBARTTRPNHEXIZ-MRXNPFEDSA-N 2 1 254.462 3.380 20 0 CGADMP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCC2)nc1 ZINC000527771565 270135248 /nfs/dbraw/zinc/13/52/48/270135248.db2.gz KDMMTXOWVJKROV-LZLYRXPVSA-N 2 1 285.435 3.139 20 0 CGADMP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)nc1 ZINC000527771565 270135249 /nfs/dbraw/zinc/13/52/49/270135249.db2.gz KDMMTXOWVJKROV-LZLYRXPVSA-N 2 1 285.435 3.139 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC23CC3)c1 ZINC000527859925 270140399 /nfs/dbraw/zinc/14/03/99/270140399.db2.gz SCEMDPNPDVUSBL-YOEHRIQHSA-N 2 1 272.436 3.417 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527864711 270140679 /nfs/dbraw/zinc/14/06/79/270140679.db2.gz KEDMUHDEDNQRJD-NXHRZFHOSA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527864711 270140680 /nfs/dbraw/zinc/14/06/80/270140680.db2.gz KEDMUHDEDNQRJD-NXHRZFHOSA-N 2 1 274.452 3.470 20 0 CGADMP Cc1cccc([C@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)c1 ZINC000527845812 270139336 /nfs/dbraw/zinc/13/93/36/270139336.db2.gz JPIPTIHCGUZIBD-QGZVFWFLSA-N 2 1 260.425 3.376 20 0 CGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@H]1CC12CC2 ZINC000527848037 270139401 /nfs/dbraw/zinc/13/94/01/270139401.db2.gz DUFZYZJUFZQNDO-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@H]1CC12CC2 ZINC000527848037 270139402 /nfs/dbraw/zinc/13/94/02/270139402.db2.gz DUFZYZJUFZQNDO-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527853957 270140075 /nfs/dbraw/zinc/14/00/75/270140075.db2.gz IEKOOZMNGBZXDY-OAHLLOKOSA-N 2 1 293.773 3.261 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000527854171 270140080 /nfs/dbraw/zinc/14/00/80/270140080.db2.gz VMGCCEFJROKFJL-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000527859897 270140153 /nfs/dbraw/zinc/14/01/53/270140153.db2.gz GRIHJSHQCGGMNO-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C2CCC2)C2CCC2)CC[N@H+]1C ZINC000527922913 270144451 /nfs/dbraw/zinc/14/44/51/270144451.db2.gz CBANFAFOPUUZMD-BBRMVZONSA-N 2 1 264.457 3.275 20 0 CGADMP c1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CCC2)nc1 ZINC000527968689 270147252 /nfs/dbraw/zinc/14/72/52/270147252.db2.gz OSNNGJKLUNCXKA-LJQANCHMSA-N 2 1 299.462 3.387 20 0 CGADMP COc1ccccc1[C@H](C)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528006981 270150777 /nfs/dbraw/zinc/15/07/77/270150777.db2.gz AMRFVWWHFASEKW-HOCLYGCPSA-N 2 1 288.435 3.363 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000527983134 270148337 /nfs/dbraw/zinc/14/83/37/270148337.db2.gz SSZIMPYOEXQQJK-JHJVBQTASA-N 2 1 276.415 3.376 20 0 CGADMP COc1ccccc1[C@@H](C)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006974 270150705 /nfs/dbraw/zinc/15/07/05/270150705.db2.gz AMRFVWWHFASEKW-GDBMZVCRSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000529526895 270182680 /nfs/dbraw/zinc/18/26/80/270182680.db2.gz ALGWNOPFPSEYMB-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC000529526895 270182681 /nfs/dbraw/zinc/18/26/81/270182681.db2.gz ALGWNOPFPSEYMB-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH+]1C ZINC000529526895 270182682 /nfs/dbraw/zinc/18/26/82/270182682.db2.gz ALGWNOPFPSEYMB-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH+]1C ZINC000529526895 270182683 /nfs/dbraw/zinc/18/26/83/270182683.db2.gz ALGWNOPFPSEYMB-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)(C)c1ccccc1 ZINC000530218236 270196318 /nfs/dbraw/zinc/19/63/18/270196318.db2.gz IIQSETFXHYWHKR-GOEBONIOSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)[C@@H]1CCC[NH3+] ZINC000530223062 270196726 /nfs/dbraw/zinc/19/67/26/270196726.db2.gz LXIXRLPJQJCZGC-IUODEOHRSA-N 2 1 281.831 3.074 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C2CCCC2)o1 ZINC000530354893 270199177 /nfs/dbraw/zinc/19/91/77/270199177.db2.gz BLJRHZFAOOFVHR-KRWDZBQOSA-N 2 1 287.407 3.385 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000530666040 270201587 /nfs/dbraw/zinc/20/15/87/270201587.db2.gz RQTTVDHXMFUDOW-XWTMOSNGSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000530666040 270201588 /nfs/dbraw/zinc/20/15/88/270201588.db2.gz RQTTVDHXMFUDOW-XWTMOSNGSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000530666040 270201589 /nfs/dbraw/zinc/20/15/89/270201589.db2.gz RQTTVDHXMFUDOW-XWTMOSNGSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCc2c(F)cccc2Cl)CC1 ZINC000530902459 270203457 /nfs/dbraw/zinc/20/34/57/270203457.db2.gz WFHLDPJCIKEUAA-UHFFFAOYSA-N 2 1 298.833 3.438 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCc2c(F)cccc2Cl)CC1 ZINC000530902459 270203458 /nfs/dbraw/zinc/20/34/58/270203458.db2.gz WFHLDPJCIKEUAA-UHFFFAOYSA-N 2 1 298.833 3.438 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000531931937 270211019 /nfs/dbraw/zinc/21/10/19/270211019.db2.gz VCTKYJUKRUSUAY-QAPCUYQASA-N 2 1 274.452 3.425 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000531989168 270212401 /nfs/dbraw/zinc/21/24/01/270212401.db2.gz IOXHUUZBGJAWIP-SFHVURJKSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](CC)C1CCOCC1 ZINC000532215144 270214464 /nfs/dbraw/zinc/21/44/64/270214464.db2.gz IXWIAZSFPQCYNT-MSOLQXFVSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](CC)C1CCOCC1 ZINC000532215144 270214465 /nfs/dbraw/zinc/21/44/65/270214465.db2.gz IXWIAZSFPQCYNT-MSOLQXFVSA-N 2 1 296.499 3.436 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000037267178 273870041 /nfs/dbraw/zinc/87/00/41/273870041.db2.gz NQHAPMYREZBCCM-KRWDZBQOSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423449497 274240231 /nfs/dbraw/zinc/24/02/31/274240231.db2.gz RRQBZENIXHYSBA-DNJQJEMRSA-N 2 1 297.240 3.323 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000293733668 274339879 /nfs/dbraw/zinc/33/98/79/274339879.db2.gz OPBQKYHBPMKHQR-VVMVDLBUSA-N 2 1 290.426 3.390 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000248838427 287787033 /nfs/dbraw/zinc/78/70/33/287787033.db2.gz DUKSCXCIDKAZAY-NFAWXSAZSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000084986478 287788285 /nfs/dbraw/zinc/78/82/85/287788285.db2.gz VCMXJCAGLZRBGH-IPYPFGDCSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000361907672 274861627 /nfs/dbraw/zinc/86/16/27/274861627.db2.gz YSRHRGNNZSSLPK-DLBZAZTESA-N 2 1 283.419 3.363 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CCCc3sccc31)C2 ZINC000279014132 275072854 /nfs/dbraw/zinc/07/28/54/275072854.db2.gz UADZIUGIOBKOMX-GXTWGEPZSA-N 2 1 287.432 3.174 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CCSc3ccccc31)C2 ZINC000279054322 275072877 /nfs/dbraw/zinc/07/28/77/275072877.db2.gz YJGNZDZFHGANAC-DZGCQCFKSA-N 2 1 299.443 3.272 20 0 CGADMP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000081635405 275395838 /nfs/dbraw/zinc/39/58/38/275395838.db2.gz TXAIMYCMZNLLMV-IMJJTQAJSA-N 2 1 262.441 3.029 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000459490782 275413646 /nfs/dbraw/zinc/41/36/46/275413646.db2.gz YUAVANVYQSDBIW-IAGOWNOFSA-N 2 1 262.441 3.172 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000191078767 276073287 /nfs/dbraw/zinc/07/32/87/276073287.db2.gz TYEUSVXVDMQPCM-IKGGRYGDSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000191078767 276073289 /nfs/dbraw/zinc/07/32/89/276073289.db2.gz TYEUSVXVDMQPCM-IKGGRYGDSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000191078767 276073290 /nfs/dbraw/zinc/07/32/90/276073290.db2.gz TYEUSVXVDMQPCM-IKGGRYGDSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000475348633 276118296 /nfs/dbraw/zinc/11/82/96/276118296.db2.gz FKANFEHATCIWCT-MXSMSXNCSA-N 2 1 274.452 3.499 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353994662 276262096 /nfs/dbraw/zinc/26/20/96/276262096.db2.gz COVDUELHHPPPOJ-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353994662 276262097 /nfs/dbraw/zinc/26/20/97/276262097.db2.gz COVDUELHHPPPOJ-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000423459798 276432703 /nfs/dbraw/zinc/43/27/03/276432703.db2.gz IKALZQOTKYHTCT-TZMCWYRMSA-N 2 1 264.438 3.167 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000414185661 277053283 /nfs/dbraw/zinc/05/32/83/277053283.db2.gz OOILYNZLOFCTHD-WMLDXEAASA-N 2 1 288.435 3.091 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H]2CCC[C@@H]21 ZINC000367613545 277170152 /nfs/dbraw/zinc/17/01/52/277170152.db2.gz FZIGWWZLDWEDNA-KKUMJFAQSA-N 2 1 286.410 3.274 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414659875 277275620 /nfs/dbraw/zinc/27/56/20/277275620.db2.gz UHXJJNDINMYIPJ-QXAKKESOSA-N 2 1 286.463 3.428 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219685810 277283231 /nfs/dbraw/zinc/28/32/31/277283231.db2.gz WKGWSKPBCJWTQP-MRXNPFEDSA-N 2 1 260.425 3.043 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337395247 277387542 /nfs/dbraw/zinc/38/75/42/277387542.db2.gz BOYZHBIIALAUCK-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337395247 277387545 /nfs/dbraw/zinc/38/75/45/277387545.db2.gz BOYZHBIIALAUCK-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060054 277394834 /nfs/dbraw/zinc/39/48/34/277394834.db2.gz VDKBNKUYWCKHLI-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](C[NH2+]C)C2)C1 ZINC000394613764 288002363 /nfs/dbraw/zinc/00/23/63/288002363.db2.gz JXLZDLFGQOJKPY-BZUAXINKSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCCC12CCC2)C1CCCC1 ZINC000394839716 288004228 /nfs/dbraw/zinc/00/42/28/288004228.db2.gz YJVAEANQBRDLGE-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCCC12CCC2)C1CCCC1 ZINC000394839716 288004229 /nfs/dbraw/zinc/00/42/29/288004229.db2.gz YJVAEANQBRDLGE-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414782740 278079606 /nfs/dbraw/zinc/07/96/06/278079606.db2.gz OTXGEEJYGYEILN-KBPBESRZSA-N 2 1 293.480 3.088 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Cl ZINC000397239811 288022147 /nfs/dbraw/zinc/02/21/47/288022147.db2.gz LABVMEIEHOXLQK-BZPMIXESSA-N 2 1 296.842 3.154 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Cl ZINC000397239811 288022148 /nfs/dbraw/zinc/02/21/48/288022148.db2.gz LABVMEIEHOXLQK-BZPMIXESSA-N 2 1 296.842 3.154 20 0 CGADMP Cc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)ccc2n1 ZINC000397302740 288022631 /nfs/dbraw/zinc/02/26/31/288022631.db2.gz GRLHRRLHROYMSG-JOQOYGCGSA-N 2 1 297.446 3.348 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000397306108 288023078 /nfs/dbraw/zinc/02/30/78/288023078.db2.gz MSCJYZBICYBMGT-VWYCJHECSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000397306108 288023079 /nfs/dbraw/zinc/02/30/79/288023079.db2.gz MSCJYZBICYBMGT-VWYCJHECSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2sccc2Cl)C[C@H]1C[NH3+] ZINC000397321357 288023106 /nfs/dbraw/zinc/02/31/06/288023106.db2.gz STGSIWSUUHNWRD-GMTAPVOTSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2sccc2Cl)C[C@H]1C[NH3+] ZINC000397321357 288023107 /nfs/dbraw/zinc/02/31/07/288023107.db2.gz STGSIWSUUHNWRD-GMTAPVOTSA-N 2 1 272.845 3.207 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414929660 278222524 /nfs/dbraw/zinc/22/25/24/278222524.db2.gz OWPRDVTVSWUCAG-RWMBFGLXSA-N 2 1 292.389 3.475 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C/c2ccccc2)C[C@@H]1C[NH3+] ZINC000397399771 288023323 /nfs/dbraw/zinc/02/33/23/288023323.db2.gz QPIUGDQNVBMDPD-VKTLZFPLSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000397396394 288023436 /nfs/dbraw/zinc/02/34/36/288023436.db2.gz PHNHAJVJMRXLNL-MCIONIFRSA-N 2 1 272.392 3.238 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000158891706 278243410 /nfs/dbraw/zinc/24/34/10/278243410.db2.gz INAJIJHBFYJATO-QLFBSQMISA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261563446 278312665 /nfs/dbraw/zinc/31/26/65/278312665.db2.gz GWJWPKCMTAWBST-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261563446 278312666 /nfs/dbraw/zinc/31/26/66/278312666.db2.gz GWJWPKCMTAWBST-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000367058292 278332054 /nfs/dbraw/zinc/33/20/54/278332054.db2.gz RVLRXSJFZOGRQP-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367633558 278332269 /nfs/dbraw/zinc/33/22/69/278332269.db2.gz IJGRYJOJTSDBHR-GOEBONIOSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367633558 278332270 /nfs/dbraw/zinc/33/22/70/278332270.db2.gz IJGRYJOJTSDBHR-GOEBONIOSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367633558 278332271 /nfs/dbraw/zinc/33/22/71/278332271.db2.gz IJGRYJOJTSDBHR-GOEBONIOSA-N 2 1 290.455 3.031 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000398036934 288037953 /nfs/dbraw/zinc/03/79/53/288037953.db2.gz QGUITKAZUXDMQN-DNVCBOLYSA-N 2 1 295.430 3.134 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414812715 278735682 /nfs/dbraw/zinc/73/56/82/278735682.db2.gz LJJGUQCXAFYEQO-IJLUTSLNSA-N 2 1 266.351 3.215 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459382820 288086350 /nfs/dbraw/zinc/08/63/50/288086350.db2.gz WGWXTOVYBQHYQS-NEWSRXKRSA-N 2 1 286.463 3.454 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CCc1ccc(Cl)cc1 ZINC000459399265 288088950 /nfs/dbraw/zinc/08/89/50/288088950.db2.gz YQFCGIGGEZPDEC-UHFFFAOYSA-N 2 1 277.799 3.067 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459444680 288093007 /nfs/dbraw/zinc/09/30/07/288093007.db2.gz ZLDOWNNPNGOHDF-OAHLLOKOSA-N 2 1 272.436 3.315 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000472593154 279096756 /nfs/dbraw/zinc/09/67/56/279096756.db2.gz ZULQWWQYWAZTOG-OAGGEKHMSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000438123115 279176493 /nfs/dbraw/zinc/17/64/93/279176493.db2.gz CIYBJPABXQKXDV-JCHJZTRSSA-N 2 1 284.447 3.181 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000449065453 279262480 /nfs/dbraw/zinc/26/24/80/279262480.db2.gz UOMMHJMESUUUIJ-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423355941 279293216 /nfs/dbraw/zinc/29/32/16/279293216.db2.gz GATQLMSRMSTMFZ-HIFRSBDPSA-N 2 1 294.826 3.285 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000346451443 279352416 /nfs/dbraw/zinc/35/24/16/279352416.db2.gz FVPLDAXHAPRGCF-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000346451443 279352417 /nfs/dbraw/zinc/35/24/17/279352417.db2.gz FVPLDAXHAPRGCF-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338691681 279455140 /nfs/dbraw/zinc/45/51/40/279455140.db2.gz XTLWFUSFUKKPNY-KYNGSXCRSA-N 2 1 284.447 3.395 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127881438 280265607 /nfs/dbraw/zinc/26/56/07/280265607.db2.gz ZENMTQXIBHWHNQ-FPCVCCKLSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc[nH+]1 ZINC000278788803 280547047 /nfs/dbraw/zinc/54/70/47/280547047.db2.gz GRMJBNIAFRGVMA-UHFFFAOYSA-N 2 1 296.418 3.307 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCCO2 ZINC000423321144 280629362 /nfs/dbraw/zinc/62/93/62/280629362.db2.gz MVSVTNZHCMYAME-IAGOWNOFSA-N 2 1 288.435 3.351 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)CC3 ZINC000414936400 281035424 /nfs/dbraw/zinc/03/54/24/281035424.db2.gz CTAIVKPRJJQSAL-CKEIUWERSA-N 2 1 297.446 3.064 20 0 CGADMP CC1(C)CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595289 281067691 /nfs/dbraw/zinc/06/76/91/281067691.db2.gz WNIKMKAFSCLDRD-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000488773983 281309169 /nfs/dbraw/zinc/30/91/69/281309169.db2.gz HARAMVBBDMAEOK-LJQANCHMSA-N 2 1 295.430 3.384 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531708219 288341619 /nfs/dbraw/zinc/34/16/19/288341619.db2.gz LYOZZXLXNXNJRX-HNNXBMFYSA-N 2 1 275.783 3.122 20 0 CGADMP CCc1ccc(CC[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000533375705 288378475 /nfs/dbraw/zinc/37/84/75/288378475.db2.gz ZGIFACJOYNPIBS-UHFFFAOYSA-N 2 1 274.452 3.254 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423398258 288765638 /nfs/dbraw/zinc/76/56/38/288765638.db2.gz VEGBWEMAKGPVPU-UXIGCNINSA-N 2 1 294.826 3.284 20 0 CGADMP CCc1[nH+]c2ccccc2c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000548791382 289022837 /nfs/dbraw/zinc/02/28/37/289022837.db2.gz JPCGFQORBVYGOY-ZFWWWQNUSA-N 2 1 297.446 3.422 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000548930723 289029188 /nfs/dbraw/zinc/02/91/88/289029188.db2.gz REZAHMPGNUUYEA-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](C1CCCCC1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000548930723 289029189 /nfs/dbraw/zinc/02/91/89/289029189.db2.gz REZAHMPGNUUYEA-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](C1CCCCC1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000548930723 289029191 /nfs/dbraw/zinc/02/91/91/289029191.db2.gz REZAHMPGNUUYEA-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1cc(C[NH2+]CCCn2cc[nH+]c2C)c(C)s1 ZINC000549013681 289031576 /nfs/dbraw/zinc/03/15/76/289031576.db2.gz ITFUXNCNPMBHBT-UHFFFAOYSA-N 2 1 263.410 3.050 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236530 289038785 /nfs/dbraw/zinc/03/87/85/289038785.db2.gz CGTCJTDFKRSWGG-MVJTYMMSSA-N 2 1 274.452 3.499 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236530 289038786 /nfs/dbraw/zinc/03/87/86/289038786.db2.gz CGTCJTDFKRSWGG-MVJTYMMSSA-N 2 1 274.452 3.499 20 0 CGADMP Cc1[nH+]c2ccccc2c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1C ZINC000549604018 289048018 /nfs/dbraw/zinc/04/80/18/289048018.db2.gz UFVWPCHJJBAITK-BETUJISGSA-N 2 1 283.419 3.380 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)o1 ZINC000552040650 289153148 /nfs/dbraw/zinc/15/31/48/289153148.db2.gz HOMLWGDRQHHGEK-USACIQFYSA-N 2 1 288.435 3.365 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)o1 ZINC000552040648 289153190 /nfs/dbraw/zinc/15/31/90/289153190.db2.gz HOMLWGDRQHHGEK-CMZRPVNOSA-N 2 1 288.435 3.365 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@@H]2CCC[C@@H]21 ZINC000552283971 289178523 /nfs/dbraw/zinc/17/85/23/289178523.db2.gz OKYCCCJGQDMFIY-BPUTZDHNSA-N 2 1 296.817 3.442 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC000553506893 289227483 /nfs/dbraw/zinc/22/74/83/289227483.db2.gz BNJYEHBHRPCTIC-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312413 289268053 /nfs/dbraw/zinc/26/80/53/289268053.db2.gz UOOLGOPABRAMNH-DOMZBBRYSA-N 2 1 281.831 3.040 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312415 289268206 /nfs/dbraw/zinc/26/82/06/289268206.db2.gz UOOLGOPABRAMNH-SWLSCSKDSA-N 2 1 281.831 3.040 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000556202485 289377038 /nfs/dbraw/zinc/37/70/38/289377038.db2.gz RSZZUXGECRSPFB-YIDVYQOGSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261756888 290238382 /nfs/dbraw/zinc/23/83/82/290238382.db2.gz UNJLFWPZRYSNNH-OSAQELSMSA-N 2 1 296.361 3.033 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261756888 290238384 /nfs/dbraw/zinc/23/83/84/290238384.db2.gz UNJLFWPZRYSNNH-OSAQELSMSA-N 2 1 296.361 3.033 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423176002 293197793 /nfs/dbraw/zinc/19/77/93/293197793.db2.gz BLGYSDUSRMLDOH-JTQLQIEISA-N 2 1 281.469 3.152 20 0 CGADMP Cn1cccc1[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245586739 294393819 /nfs/dbraw/zinc/39/38/19/294393819.db2.gz FBJOMWPANXAUBR-NVXWUHKLSA-N 2 1 275.440 3.036 20 0 CGADMP Cn1cccc1[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245586739 294393822 /nfs/dbraw/zinc/39/38/22/294393822.db2.gz FBJOMWPANXAUBR-NVXWUHKLSA-N 2 1 275.440 3.036 20 0 CGADMP Cn1cccc1[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245586739 294393827 /nfs/dbraw/zinc/39/38/27/294393827.db2.gz FBJOMWPANXAUBR-NVXWUHKLSA-N 2 1 275.440 3.036 20 0 CGADMP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)cc1 ZINC000414678999 295249409 /nfs/dbraw/zinc/24/94/09/295249409.db2.gz YWKOXIPGUHPCBR-NVXWUHKLSA-N 2 1 276.424 3.206 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)cc1 ZINC000414678999 295249411 /nfs/dbraw/zinc/24/94/11/295249411.db2.gz YWKOXIPGUHPCBR-NVXWUHKLSA-N 2 1 276.424 3.206 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCCC2)CC12CCOCC2 ZINC000414785552 295276122 /nfs/dbraw/zinc/27/61/22/295276122.db2.gz SUZFZUMLEJPQKA-KRWDZBQOSA-N 2 1 294.483 3.034 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCc2sccc21 ZINC000423289542 528950736 /nfs/dbraw/zinc/95/07/36/528950736.db2.gz XMWWPJODLWPIBM-GFCCVEGCSA-N 2 1 252.427 3.233 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000166202211 321907139 /nfs/dbraw/zinc/90/71/39/321907139.db2.gz LUYVPHOWNFEYQH-RHSMWYFYSA-N 2 1 274.452 3.283 20 0 CGADMP CC(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564451570 322031560 /nfs/dbraw/zinc/03/15/60/322031560.db2.gz QQOWWXLURNVMKJ-QGZVFWFLSA-N 2 1 272.436 3.429 20 0 CGADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564451570 322031563 /nfs/dbraw/zinc/03/15/63/322031563.db2.gz QQOWWXLURNVMKJ-QGZVFWFLSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000564728896 322040669 /nfs/dbraw/zinc/04/06/69/322040669.db2.gz KWJAAUAEOQECAH-MOPGFXCFSA-N 2 1 286.463 3.249 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000564823671 322045089 /nfs/dbraw/zinc/04/50/89/322045089.db2.gz SBZLZYMXUITOAU-AWEZNQCLSA-N 2 1 276.424 3.316 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000566229879 322110482 /nfs/dbraw/zinc/11/04/82/322110482.db2.gz QZCLAGILAWSCIL-QRVBRYPASA-N 2 1 286.463 3.358 20 0 CGADMP FCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566753110 322137258 /nfs/dbraw/zinc/13/72/58/322137258.db2.gz NOQGGEMUWBITCW-HDICACEKSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566753110 322137260 /nfs/dbraw/zinc/13/72/60/322137260.db2.gz NOQGGEMUWBITCW-HDICACEKSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566753110 322137262 /nfs/dbraw/zinc/13/72/62/322137262.db2.gz NOQGGEMUWBITCW-HDICACEKSA-N 2 1 290.426 3.190 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000567298880 322158352 /nfs/dbraw/zinc/15/83/52/322158352.db2.gz VPADQRYEPBJAJN-WNRNVDISSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000567298880 322158354 /nfs/dbraw/zinc/15/83/54/322158354.db2.gz VPADQRYEPBJAJN-WNRNVDISSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000567579872 322168775 /nfs/dbraw/zinc/16/87/75/322168775.db2.gz NSRQIXPQKWZCTL-SECBINFHSA-N 2 1 291.258 3.161 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000568169107 322195955 /nfs/dbraw/zinc/19/59/55/322195955.db2.gz BKCLWADIFAWXTO-NVXWUHKLSA-N 2 1 283.419 3.231 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000568169107 322195957 /nfs/dbraw/zinc/19/59/57/322195957.db2.gz BKCLWADIFAWXTO-NVXWUHKLSA-N 2 1 283.419 3.231 20 0 CGADMP Cc1ccc(CC(C)(C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000568181082 322197305 /nfs/dbraw/zinc/19/73/05/322197305.db2.gz JZWSDBAHEVTYTF-UHFFFAOYSA-N 2 1 285.435 3.272 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccn1 ZINC000568238442 322199828 /nfs/dbraw/zinc/19/98/28/322199828.db2.gz UYCJRWVQGQIVOM-GJZGRUSLSA-N 2 1 291.439 3.005 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccn1 ZINC000568238442 322199829 /nfs/dbraw/zinc/19/98/29/322199829.db2.gz UYCJRWVQGQIVOM-GJZGRUSLSA-N 2 1 291.439 3.005 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@H]2CCCC[C@@H]12 ZINC000568748690 322220780 /nfs/dbraw/zinc/22/07/80/322220780.db2.gz AOIQBPBZRYZOKG-PVAVHDDUSA-N 2 1 264.457 3.277 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000568764378 322221804 /nfs/dbraw/zinc/22/18/04/322221804.db2.gz QHHMHVZWOZLLJX-AWEZNQCLSA-N 2 1 263.429 3.111 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000568764378 322221805 /nfs/dbraw/zinc/22/18/05/322221805.db2.gz QHHMHVZWOZLLJX-AWEZNQCLSA-N 2 1 263.429 3.111 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000568764378 322221806 /nfs/dbraw/zinc/22/18/06/322221806.db2.gz QHHMHVZWOZLLJX-AWEZNQCLSA-N 2 1 263.429 3.111 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1coc(-c2ccccc2)n1 ZINC000568799889 322223258 /nfs/dbraw/zinc/22/32/58/322223258.db2.gz GJMONIKKPCCDPE-YOEHRIQHSA-N 2 1 299.418 3.114 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000568917722 322227703 /nfs/dbraw/zinc/22/77/03/322227703.db2.gz DHZKBBWYWIVZED-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000568917722 322227706 /nfs/dbraw/zinc/22/77/06/322227706.db2.gz DHZKBBWYWIVZED-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000568917722 322227707 /nfs/dbraw/zinc/22/77/07/322227707.db2.gz DHZKBBWYWIVZED-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000569234586 322240333 /nfs/dbraw/zinc/24/03/33/322240333.db2.gz DITLAEFIOXCYPV-KRWDZBQOSA-N 2 1 287.382 3.329 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000569234586 322240336 /nfs/dbraw/zinc/24/03/36/322240336.db2.gz DITLAEFIOXCYPV-KRWDZBQOSA-N 2 1 287.382 3.329 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000570938332 322285807 /nfs/dbraw/zinc/28/58/07/322285807.db2.gz VZGFHTKBCQKEAV-WBVHZDCISA-N 2 1 290.451 3.423 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1C(F)(F)F ZINC000571892059 322311318 /nfs/dbraw/zinc/31/13/18/322311318.db2.gz VDTVFPXCNRGXRS-AAEUAGOBSA-N 2 1 286.341 3.325 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[NH2+]C(C)C)s1 ZINC000572026493 322316486 /nfs/dbraw/zinc/31/64/86/322316486.db2.gz NCDUQJKQPTZUOZ-NSHDSACASA-N 2 1 269.458 3.053 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000572175345 322323779 /nfs/dbraw/zinc/32/37/79/322323779.db2.gz GSKNWSBBANLMNK-GOSISDBHSA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000572175345 322323781 /nfs/dbraw/zinc/32/37/81/322323781.db2.gz GSKNWSBBANLMNK-GOSISDBHSA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000572175345 322323782 /nfs/dbraw/zinc/32/37/82/322323782.db2.gz GSKNWSBBANLMNK-GOSISDBHSA-N 2 1 297.446 3.450 20 0 CGADMP CCCC[C@H](CC)CC[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000572326960 322331729 /nfs/dbraw/zinc/33/17/29/322331729.db2.gz OLVFXIWKRAIPIC-KBPBESRZSA-N 2 1 263.429 3.463 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)C[NH+](C)C ZINC000387491685 326859687 /nfs/dbraw/zinc/85/96/87/326859687.db2.gz RSGGQNGBJKNPPO-CYBMUJFWSA-N 2 1 290.382 3.373 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000580493629 330349255 /nfs/dbraw/zinc/34/92/55/330349255.db2.gz NLEMURSTSUGURM-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000580493629 330349256 /nfs/dbraw/zinc/34/92/56/330349256.db2.gz NLEMURSTSUGURM-CABCVRRESA-N 2 1 280.431 3.467 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000576626463 335227538 /nfs/dbraw/zinc/22/75/38/335227538.db2.gz GMTMJFAOWVVDAR-HNNXBMFYSA-N 2 1 264.413 3.044 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccnc3ccccc23)C1 ZINC000576670041 335232954 /nfs/dbraw/zinc/23/29/54/335232954.db2.gz MOGBKLYOOLPRLX-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000181425884 335761863 /nfs/dbraw/zinc/76/18/63/335761863.db2.gz MHRWWKZOXUXUOG-IAGOWNOFSA-N 2 1 294.483 3.187 20 0 CGADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000194887878 336040143 /nfs/dbraw/zinc/04/01/43/336040143.db2.gz LSAXQBBSVRMZHP-WMLDXEAASA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381676430 336070522 /nfs/dbraw/zinc/07/05/22/336070522.db2.gz AIPZAXQWJKVLOO-AEGPPILISA-N 2 1 278.827 3.332 20 0 CGADMP C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000383684562 336116488 /nfs/dbraw/zinc/11/64/88/336116488.db2.gz PNWCZOKPIQMPHM-SNVBAGLBSA-N 2 1 275.223 3.281 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000384861094 336133152 /nfs/dbraw/zinc/13/31/52/336133152.db2.gz DJUILYJRTGADHD-FFHGMXDLSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000384861094 336133153 /nfs/dbraw/zinc/13/31/53/336133153.db2.gz DJUILYJRTGADHD-FFHGMXDLSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000385463867 336147396 /nfs/dbraw/zinc/14/73/96/336147396.db2.gz LJXCHXAUIHNBEW-HOTGVXAUSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000358134225 533950076 /nfs/dbraw/zinc/95/00/76/533950076.db2.gz AKVJSUPYKVYYCR-BXUZGUMPSA-N 2 1 284.806 3.094 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368564331 533981589 /nfs/dbraw/zinc/98/15/89/533981589.db2.gz QXEDBOJTMYYEIK-FHLIZLRMSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358505585 534053540 /nfs/dbraw/zinc/05/35/40/534053540.db2.gz KHIOCJOARMTHNX-ZDUSSCGKSA-N 2 1 278.827 3.477 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000149422775 534102562 /nfs/dbraw/zinc/10/25/62/534102562.db2.gz QVUOGRLTSXZEJA-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOC2CCC2)C1 ZINC000367739916 534162214 /nfs/dbraw/zinc/16/22/14/534162214.db2.gz YGCHRBPMAXAYCK-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOC2CCC2)C1 ZINC000367739916 534162220 /nfs/dbraw/zinc/16/22/20/534162220.db2.gz YGCHRBPMAXAYCK-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000367739916 534162228 /nfs/dbraw/zinc/16/22/28/534162228.db2.gz YGCHRBPMAXAYCK-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000367739916 534162233 /nfs/dbraw/zinc/16/22/33/534162233.db2.gz YGCHRBPMAXAYCK-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000414774730 534188058 /nfs/dbraw/zinc/18/80/58/534188058.db2.gz YZAWIQNQRWVMDR-BWPNAZKDSA-N 2 1 298.474 3.428 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449073299 534266753 /nfs/dbraw/zinc/26/67/53/534266753.db2.gz HVUIDTFNZOSWDH-LSDHHAIUSA-N 2 1 298.430 3.438 20 0 CGADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150780365 518371947 /nfs/dbraw/zinc/37/19/47/518371947.db2.gz LUSTWXDCRZDBMN-YOCVDRLZSA-N 2 1 270.420 3.118 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150780365 518371954 /nfs/dbraw/zinc/37/19/54/518371954.db2.gz LUSTWXDCRZDBMN-YOCVDRLZSA-N 2 1 270.420 3.118 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333875 534380875 /nfs/dbraw/zinc/38/08/75/534380875.db2.gz TXBUZPFMIQRLQI-STQMWFEESA-N 2 1 278.362 3.041 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427101687 534464754 /nfs/dbraw/zinc/46/47/54/534464754.db2.gz CMGFFBQUKZSMTO-WBVHZDCISA-N 2 1 282.387 3.130 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427101687 534464761 /nfs/dbraw/zinc/46/47/61/534464761.db2.gz CMGFFBQUKZSMTO-WBVHZDCISA-N 2 1 282.387 3.130 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643974 520426283 /nfs/dbraw/zinc/42/62/83/520426283.db2.gz WCBKFVHBUJBOFI-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP COC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C1CC1 ZINC000161724552 522750399 /nfs/dbraw/zinc/75/03/99/522750399.db2.gz NWPCNICQKKPPHU-SFHVURJKSA-N 2 1 290.451 3.041 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCOc1ccc(F)cc1)C1CCCCC1 ZINC000420370724 534676466 /nfs/dbraw/zinc/67/64/66/534676466.db2.gz YZPNYKDGULRWOG-QGZVFWFLSA-N 2 1 294.414 3.092 20 0 CGADMP C[N@H+](Cc1ccc2ccccc2c1)CC1CC[NH2+]CC1 ZINC000094010666 523281015 /nfs/dbraw/zinc/28/10/15/523281015.db2.gz WWOSNGSQALKPLY-UHFFFAOYSA-N 2 1 268.404 3.271 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1F ZINC000449323714 534711975 /nfs/dbraw/zinc/71/19/75/534711975.db2.gz AUCDMSSELUNXBA-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Cl)s2)C1 ZINC000459739174 536384272 /nfs/dbraw/zinc/38/42/72/536384272.db2.gz SFYTUWPTXGIBSJ-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000049554228 524479594 /nfs/dbraw/zinc/47/95/94/524479594.db2.gz YXVNSVDDKWTOOF-SMDDNHRTSA-N 2 1 282.428 3.292 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000157696298 525262324 /nfs/dbraw/zinc/26/23/24/525262324.db2.gz MQISVUWMNVEFET-LMEGTBPZSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000157696298 525262331 /nfs/dbraw/zinc/26/23/31/525262331.db2.gz MQISVUWMNVEFET-LMEGTBPZSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000088163777 525404668 /nfs/dbraw/zinc/40/46/68/525404668.db2.gz FNAPKJKFRZZSDC-FFHGMXDLSA-N 2 1 276.399 3.492 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423282443 534879159 /nfs/dbraw/zinc/87/91/59/534879159.db2.gz VZYPWYSMQPFPMY-CMPLNLGQSA-N 2 1 269.458 3.209 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339414383 525831281 /nfs/dbraw/zinc/83/12/81/525831281.db2.gz WPPLTXWKVDLNEQ-HNNXBMFYSA-N 2 1 284.806 3.082 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339414383 525831285 /nfs/dbraw/zinc/83/12/85/525831285.db2.gz WPPLTXWKVDLNEQ-HNNXBMFYSA-N 2 1 284.806 3.082 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423289601 527256725 /nfs/dbraw/zinc/25/67/25/527256725.db2.gz XVGYYJSERLBERX-CYBMUJFWSA-N 2 1 252.789 3.044 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000191702528 527588953 /nfs/dbraw/zinc/58/89/53/527588953.db2.gz SNFGQUAVEZDDPP-IIAWOOMASA-N 2 1 254.462 3.233 20 0 CGADMP CC(C)(C)C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000423440055 527702087 /nfs/dbraw/zinc/70/20/87/527702087.db2.gz SWIHYXKPIYMGPI-XUWVNRHRSA-N 2 1 276.399 3.110 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(C)c2)[C@@H](C)C1 ZINC000449031449 527752235 /nfs/dbraw/zinc/75/22/35/527752235.db2.gz VLHZMWRCZZMLNN-FUHWJXTLSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(C)c2)[C@@H](C)C1 ZINC000449031449 527752240 /nfs/dbraw/zinc/75/22/40/527752240.db2.gz VLHZMWRCZZMLNN-FUHWJXTLSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(C)c2)[C@@H](C)C1 ZINC000449031449 527752243 /nfs/dbraw/zinc/75/22/43/527752243.db2.gz VLHZMWRCZZMLNN-FUHWJXTLSA-N 2 1 274.452 3.200 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166849726 527753446 /nfs/dbraw/zinc/75/34/46/527753446.db2.gz LOWVIFOPGNAFSG-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166849835 527754381 /nfs/dbraw/zinc/75/43/81/527754381.db2.gz LOWVIFOPGNAFSG-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC000449028977 527757043 /nfs/dbraw/zinc/75/70/43/527757043.db2.gz NPPVZXDYKJYYHS-XJKSGUPXSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC000449028977 527757046 /nfs/dbraw/zinc/75/70/46/527757046.db2.gz NPPVZXDYKJYYHS-XJKSGUPXSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC000449028977 527757052 /nfs/dbraw/zinc/75/70/52/527757052.db2.gz NPPVZXDYKJYYHS-XJKSGUPXSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC000449028977 527757056 /nfs/dbraw/zinc/75/70/56/527757056.db2.gz NPPVZXDYKJYYHS-XJKSGUPXSA-N 2 1 294.414 3.139 20 0 CGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423282940 527782998 /nfs/dbraw/zinc/78/29/98/527782998.db2.gz VLUPQXYTRWSZNI-RDTXWAMCSA-N 2 1 290.451 3.499 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)[C@H](C)C1 ZINC000449372806 527880765 /nfs/dbraw/zinc/88/07/65/527880765.db2.gz APHROTUGEXCHMF-SUMDDJOVSA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193139973 527955451 /nfs/dbraw/zinc/95/54/51/527955451.db2.gz KFDOHVJDAYPWGW-DOTOQJQBSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1(C)C ZINC000423271132 528062164 /nfs/dbraw/zinc/06/21/64/528062164.db2.gz XHKMQJXAJVAKIW-ARFHVFGLSA-N 2 1 282.472 3.076 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cccc2ccoc21 ZINC000449222965 528111994 /nfs/dbraw/zinc/11/19/94/528111994.db2.gz XJMFODDPJTUQQY-UHFFFAOYSA-N 2 1 260.381 3.254 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000152509859 528112310 /nfs/dbraw/zinc/11/23/10/528112310.db2.gz PFNXTPKAFJXEEU-CYBMUJFWSA-N 2 1 282.403 3.217 20 0 CGADMP CC(C)c1ccc(OCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422946052 528123808 /nfs/dbraw/zinc/12/38/08/528123808.db2.gz OETWGLWQCSDONE-CQSZACIVSA-N 2 1 299.418 3.347 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423283228 528165162 /nfs/dbraw/zinc/16/51/62/528165162.db2.gz DZPFINYMJYJOQS-ZDUSSCGKSA-N 2 1 264.413 3.109 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1F ZINC000449178996 528172636 /nfs/dbraw/zinc/17/26/36/528172636.db2.gz UTPYGNMOXBFUIZ-DOTOQJQBSA-N 2 1 293.430 3.211 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1F ZINC000449178999 528181171 /nfs/dbraw/zinc/18/11/71/528181171.db2.gz UTPYGNMOXBFUIZ-WBVHZDCISA-N 2 1 293.430 3.211 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423283734 528207377 /nfs/dbraw/zinc/20/73/77/528207377.db2.gz XLQOYQWVOXQYLX-BBRMVZONSA-N 2 1 264.413 3.108 20 0 CGADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000414188636 528220295 /nfs/dbraw/zinc/22/02/95/528220295.db2.gz QMLZXPVWSFPTNN-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000423441955 528689186 /nfs/dbraw/zinc/68/91/86/528689186.db2.gz BLOPYADAFCNIFB-UKRRQHHQSA-N 2 1 264.413 3.253 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)cc1OC ZINC000423458200 528689836 /nfs/dbraw/zinc/68/98/36/528689836.db2.gz GPZVQQRBMASKMN-UKRRQHHQSA-N 2 1 294.439 3.262 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423287855 528690922 /nfs/dbraw/zinc/69/09/22/528690922.db2.gz OXRIDCJWAORNMM-ZDUSSCGKSA-N 2 1 264.413 3.253 20 0 CGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])oc21 ZINC000423281473 528698287 /nfs/dbraw/zinc/69/82/87/528698287.db2.gz BJRROSJNKNZOAQ-LLVKDONJSA-N 2 1 276.380 3.219 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423301139 528821501 /nfs/dbraw/zinc/82/15/01/528821501.db2.gz SOKKEBSJQRJAIJ-WMLDXEAASA-N 2 1 276.424 3.180 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000423298896 528955427 /nfs/dbraw/zinc/95/54/27/528955427.db2.gz PCXUAPKHWXOYKY-BRWVUGGUSA-N 2 1 260.425 3.430 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414053898 528988507 /nfs/dbraw/zinc/98/85/07/528988507.db2.gz BAZKDZDPSWJLPX-AWEZNQCLSA-N 2 1 276.424 3.139 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000149388342 528988899 /nfs/dbraw/zinc/98/88/99/528988899.db2.gz WMQDUKCGLJESNA-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC(F)F)cc1 ZINC000423317807 529178762 /nfs/dbraw/zinc/17/87/62/529178762.db2.gz KPVIVNOUPCPTBZ-UONOGXRCSA-N 2 1 284.350 3.066 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423314418 529247468 /nfs/dbraw/zinc/24/74/68/529247468.db2.gz HCMZGORPXSZWRX-XHDPSFHLSA-N 2 1 264.438 3.187 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000481030616 534958959 /nfs/dbraw/zinc/95/89/59/534958959.db2.gz ASQALWUWDBDUMX-PMUMKWKESA-N 2 1 290.426 3.381 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130227583 535549537 /nfs/dbraw/zinc/54/95/37/535549537.db2.gz NAUUDIQFXUXWOR-HRCADAONSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130227583 535549542 /nfs/dbraw/zinc/54/95/42/535549542.db2.gz NAUUDIQFXUXWOR-HRCADAONSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1OC ZINC000037644436 535804670 /nfs/dbraw/zinc/80/46/70/535804670.db2.gz KTSHPIOPLUFBKO-GOEBONIOSA-N 2 1 276.424 3.078 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000037649083 535912175 /nfs/dbraw/zinc/91/21/75/535912175.db2.gz VWKGOVFTEDGLHF-OCCSQVGLSA-N 2 1 264.438 3.273 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C3CCC3)CCC2)s1 ZINC000459764937 536056951 /nfs/dbraw/zinc/05/69/51/536056951.db2.gz ZUQLOJYVDBFYKQ-UHFFFAOYSA-N 2 1 279.453 3.017 20 0 CGADMP C[N@@H+](CCCC[NH2+]C(C1CCC1)C1CCC1)C1CC1 ZINC000453396879 536339086 /nfs/dbraw/zinc/33/90/86/536339086.db2.gz IYFCGBBJYBCADE-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000459726852 536383868 /nfs/dbraw/zinc/38/38/68/536383868.db2.gz BXCOPUIYZMGNCL-NSRYLSIASA-N 2 1 294.389 3.300 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2sccc2Cl)C1 ZINC000459785619 536383930 /nfs/dbraw/zinc/38/39/30/536383930.db2.gz OYCVZLAVZODADS-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP COCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000124561203 536777935 /nfs/dbraw/zinc/77/79/35/536777935.db2.gz RVHYTVFKVPBLRR-CVEARBPZSA-N 2 1 290.451 3.227 20 0 CGADMP ClC1(Cl)C[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738882781 572395734 /nfs/dbraw/zinc/39/57/34/572395734.db2.gz VJKVATZPUGSJSE-STQMWFEESA-N 2 1 291.266 3.131 20 0 CGADMP ClC1(Cl)C[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738882781 572395739 /nfs/dbraw/zinc/39/57/39/572395739.db2.gz VJKVATZPUGSJSE-STQMWFEESA-N 2 1 291.266 3.131 20 0 CGADMP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000220530425 572425800 /nfs/dbraw/zinc/42/58/00/572425800.db2.gz YORBBUNDWZEILE-WMLDXEAASA-N 2 1 290.476 3.135 20 0 CGADMP CCCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000892944560 618959706 /nfs/dbraw/zinc/95/97/06/618959706.db2.gz RZQFYUHBPVMQHR-GJZGRUSLSA-N 2 1 272.502 3.228 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC(C)(C)C)C[C@H]1C ZINC000801925020 630367840 /nfs/dbraw/zinc/36/78/40/630367840.db2.gz YHWNKUSEENYDGR-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC(C)(C)C)C[C@H]1C ZINC000801925020 630367845 /nfs/dbraw/zinc/36/78/45/630367845.db2.gz YHWNKUSEENYDGR-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC(C)(C)C)C[C@H]1C ZINC000801925020 630367850 /nfs/dbraw/zinc/36/78/50/630367850.db2.gz YHWNKUSEENYDGR-ZIAGYGMSSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(CSC)cc2)CC1 ZINC000891561599 618238808 /nfs/dbraw/zinc/23/88/08/618238808.db2.gz LXQBMSHBOQXMOY-UHFFFAOYSA-N 2 1 292.492 3.466 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(CSC)cc2)CC1 ZINC000891561599 618238809 /nfs/dbraw/zinc/23/88/09/618238809.db2.gz LXQBMSHBOQXMOY-UHFFFAOYSA-N 2 1 292.492 3.466 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000891619601 618242441 /nfs/dbraw/zinc/24/24/41/618242441.db2.gz RQPOUCOFGKLKHL-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cs1)C1CCC([NH3+])CC1 ZINC000086333662 618270409 /nfs/dbraw/zinc/27/04/09/618270409.db2.gz ZZNSZJBBLUBKSW-UHFFFAOYSA-N 2 1 258.818 3.103 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000892105373 618533837 /nfs/dbraw/zinc/53/38/37/618533837.db2.gz KIELLOUAHMOVAF-WMZOPIPTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000892105373 618533849 /nfs/dbraw/zinc/53/38/49/618533849.db2.gz KIELLOUAHMOVAF-WMZOPIPTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000892105373 618533851 /nfs/dbraw/zinc/53/38/51/618533851.db2.gz KIELLOUAHMOVAF-WMZOPIPTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000892105373 618533858 /nfs/dbraw/zinc/53/38/58/618533858.db2.gz KIELLOUAHMOVAF-WMZOPIPTSA-N 2 1 274.452 3.260 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC000892106174 618534001 /nfs/dbraw/zinc/53/40/01/618534001.db2.gz SFNZZIDIJTXNRL-LRDDRELGSA-N 2 1 296.842 3.208 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC000892106174 618534015 /nfs/dbraw/zinc/53/40/15/618534015.db2.gz SFNZZIDIJTXNRL-LRDDRELGSA-N 2 1 296.842 3.208 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC000892106174 618534023 /nfs/dbraw/zinc/53/40/23/618534023.db2.gz SFNZZIDIJTXNRL-LRDDRELGSA-N 2 1 296.842 3.208 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(O)cc(Cl)c2)[C@@H](C)C1 ZINC000892106174 618534025 /nfs/dbraw/zinc/53/40/25/618534025.db2.gz SFNZZIDIJTXNRL-LRDDRELGSA-N 2 1 296.842 3.208 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000235379511 618673843 /nfs/dbraw/zinc/67/38/43/618673843.db2.gz SWORQSAPUSJQNM-OCCSQVGLSA-N 2 1 266.816 3.160 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@H+](C)C[C@@H](C)[NH3+] ZINC000309452494 618699356 /nfs/dbraw/zinc/69/93/56/618699356.db2.gz RIAFLGNPWUJVHO-MFKMUULPSA-N 2 1 285.229 3.179 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000309452494 618699360 /nfs/dbraw/zinc/69/93/60/618699360.db2.gz RIAFLGNPWUJVHO-MFKMUULPSA-N 2 1 285.229 3.179 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219761609 618748206 /nfs/dbraw/zinc/74/82/06/618748206.db2.gz YFNCYHJYNBWYMZ-JSGCOSHPSA-N 2 1 252.427 3.131 20 0 CGADMP CCc1onc(C)c1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000892585259 618868250 /nfs/dbraw/zinc/86/82/50/618868250.db2.gz SSUHBACYAYJGFL-AWEZNQCLSA-N 2 1 293.455 3.147 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892763358 618933565 /nfs/dbraw/zinc/93/35/65/618933565.db2.gz LBEYNYSNTGMJQC-SNVBAGLBSA-N 2 1 274.330 3.193 20 0 CGADMP Cc1csc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000924613295 618960530 /nfs/dbraw/zinc/96/05/30/618960530.db2.gz FJNYRAHZCFMRNF-CYBMUJFWSA-N 2 1 289.448 3.364 20 0 CGADMP CC(C)c1csc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925558545 619058057 /nfs/dbraw/zinc/05/80/57/619058057.db2.gz GJRHZHXKJODEOK-NEPJUHHUSA-N 2 1 281.469 3.262 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000925678696 619127764 /nfs/dbraw/zinc/12/77/64/619127764.db2.gz WKBBEKCNKQRPHA-QZHFEQFPSA-N 2 1 280.415 3.468 20 0 CGADMP Cn1c2ccc(NCC3CC[NH+](C)CC3)cc2[nH+]c1C1CC1 ZINC000893391163 619154301 /nfs/dbraw/zinc/15/43/01/619154301.db2.gz LTZCBQLBVHDUSY-UHFFFAOYSA-N 2 1 298.434 3.204 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccccc1 ZINC000925712690 619158585 /nfs/dbraw/zinc/15/85/85/619158585.db2.gz ZBEGCZZDZAJXEU-IACUBPJLSA-N 2 1 268.351 3.100 20 0 CGADMP CCC(CC)(C[NH2+][C@H]1CC[NH2+]C1(C)C)C(F)(F)F ZINC000925733689 619208667 /nfs/dbraw/zinc/20/86/67/619208667.db2.gz LJORPCKTYKFXGM-JTQLQIEISA-N 2 1 266.351 3.085 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000925777076 619239904 /nfs/dbraw/zinc/23/99/04/619239904.db2.gz NSIOHUQDMNXFRY-STQMWFEESA-N 2 1 288.407 3.424 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000925779727 619242047 /nfs/dbraw/zinc/24/20/47/619242047.db2.gz PDQZJTOETWJYTL-ZYHUDNBSSA-N 2 1 288.769 3.235 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccn1 ZINC000925786611 619247644 /nfs/dbraw/zinc/24/76/44/619247644.db2.gz XDOUOFSDDRPHAF-DZGCQCFKSA-N 2 1 297.393 3.003 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](CCc2cccc(F)c2)CC1 ZINC000931752385 619248506 /nfs/dbraw/zinc/24/85/06/619248506.db2.gz KXGPOSYFGBTPNU-UHFFFAOYSA-N 2 1 290.426 3.319 20 0 CGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925790364 619249305 /nfs/dbraw/zinc/24/93/05/619249305.db2.gz HOGQJQGNRCFORG-UPJWGTAASA-N 2 1 298.377 3.103 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCS1 ZINC000925861689 619298761 /nfs/dbraw/zinc/29/87/61/619298761.db2.gz RWJAAJRILCWJLI-DZUCGIPZSA-N 2 1 290.476 3.353 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)o1 ZINC000893994133 619345178 /nfs/dbraw/zinc/34/51/78/619345178.db2.gz IOOLDAXKDFAOFD-GFCCVEGCSA-N 2 1 277.393 3.035 20 0 CGADMP CSc1ccc(CN2CCC[C@@H](n3ccnc3)C2)o1 ZINC000893994133 619345180 /nfs/dbraw/zinc/34/51/80/619345180.db2.gz IOOLDAXKDFAOFD-GFCCVEGCSA-N 2 1 277.393 3.035 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000178701304 619375373 /nfs/dbraw/zinc/37/53/73/619375373.db2.gz OLWUOHVULKROIB-OLZOCXBDSA-N 2 1 283.485 3.337 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012883 619490358 /nfs/dbraw/zinc/49/03/58/619490358.db2.gz XPORGJDCMNVHBX-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012883 619490362 /nfs/dbraw/zinc/49/03/62/619490362.db2.gz XPORGJDCMNVHBX-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000925029187 619500613 /nfs/dbraw/zinc/50/06/13/619500613.db2.gz KELXISUFYKPHMB-HRCADAONSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000925029187 619500616 /nfs/dbraw/zinc/50/06/16/619500616.db2.gz KELXISUFYKPHMB-HRCADAONSA-N 2 1 296.499 3.148 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262007845 619518832 /nfs/dbraw/zinc/51/88/32/619518832.db2.gz LZNYGANMALVLKE-UHFFFAOYSA-N 2 1 270.376 3.008 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000262150075 619750094 /nfs/dbraw/zinc/75/00/94/619750094.db2.gz ZVZSQIKRNQUBDN-UHFFFAOYSA-N 2 1 272.436 3.187 20 0 CGADMP Cc1ccc(CC[NH+]2CCC([NH2+]C3CCC3)CC2)cc1C ZINC000897977644 620461662 /nfs/dbraw/zinc/46/16/62/620461662.db2.gz GTOAGQFLUGPSSD-UHFFFAOYSA-N 2 1 286.463 3.452 20 0 CGADMP Cc1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(C)s1 ZINC000897981431 620461940 /nfs/dbraw/zinc/46/19/40/620461940.db2.gz MHXOHQXKBWJGMC-UHFFFAOYSA-N 2 1 278.465 3.471 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1CCCO)[NH+]1CCCC1 ZINC000924630901 620548765 /nfs/dbraw/zinc/54/87/65/620548765.db2.gz JNKHFMBTPUHJIF-BZSNNMDCSA-N 2 1 296.499 3.028 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2coc3ccccc23)C1 ZINC000924705897 620569434 /nfs/dbraw/zinc/56/94/34/620569434.db2.gz NCCMKWACANYOMM-ZIAGYGMSSA-N 2 1 272.392 3.425 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344429 621255857 /nfs/dbraw/zinc/25/58/57/621255857.db2.gz CBBUQPNESHLOLG-SJORKVTESA-N 3 1 295.515 3.009 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000902468177 621339039 /nfs/dbraw/zinc/33/90/39/621339039.db2.gz MFDYJHKJKWVLGY-KISRQWFGSA-N 2 1 296.867 3.376 20 0 CGADMP CC1(C)C(C)(C)C1(C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000902722136 621410360 /nfs/dbraw/zinc/41/03/60/621410360.db2.gz GSWSHSNBHQTYML-QWHCGFSZSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902819739 621455321 /nfs/dbraw/zinc/45/53/21/621455321.db2.gz WSAURXCBMGYLOC-GJZGRUSLSA-N 2 1 261.413 3.140 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000902882549 621482589 /nfs/dbraw/zinc/48/25/89/621482589.db2.gz UFQUKCIAJAHPIQ-RCCFBDPRSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC000903099324 621571685 /nfs/dbraw/zinc/57/16/85/621571685.db2.gz DXWZPAQRXRMEJL-GWNLFYIMSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC000903099324 621571689 /nfs/dbraw/zinc/57/16/89/621571689.db2.gz DXWZPAQRXRMEJL-GWNLFYIMSA-N 2 1 252.446 3.129 20 0 CGADMP CC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903111812 621585237 /nfs/dbraw/zinc/58/52/37/621585237.db2.gz XBQSBOGXCLIFRF-PPHJYPGKSA-N 2 1 262.441 3.313 20 0 CGADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCS1 ZINC000903113846 621587042 /nfs/dbraw/zinc/58/70/42/621587042.db2.gz WZZFVDVWBWRBSN-WDVRLDOZSA-N 2 1 280.481 3.020 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CCC2=C(C)C)CC1 ZINC000924788239 621617142 /nfs/dbraw/zinc/61/71/42/621617142.db2.gz LXBYKDKGBRGSMW-CRAIPNDOSA-N 2 1 294.483 3.212 20 0 CGADMP C1=CC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903206165 621628626 /nfs/dbraw/zinc/62/86/26/621628626.db2.gz HVPMGANRBPNNHU-UNPWZGGWSA-N 2 1 274.452 3.480 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000903355677 621713394 /nfs/dbraw/zinc/71/33/94/621713394.db2.gz ZBCJSYWFXQJDOS-OAHLLOKOSA-N 2 1 294.483 3.188 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C[C@@H]3C[NH2+]C[C@H]3C)ccc2c1 ZINC000903427392 621743046 /nfs/dbraw/zinc/74/30/46/621743046.db2.gz YJXRROWYZVJASV-KDOFPFPSSA-N 2 1 298.430 3.136 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000903431406 621744444 /nfs/dbraw/zinc/74/44/44/621744444.db2.gz NAUPPAFSXOQSLT-IACUBPJLSA-N 2 1 250.411 3.012 20 0 CGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440099 621749305 /nfs/dbraw/zinc/74/93/05/621749305.db2.gz SPVGAHZGIHEMMX-YXPYIKCWSA-N 2 1 276.399 3.131 20 0 CGADMP Fc1cccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCC2)c1 ZINC000903420828 621750401 /nfs/dbraw/zinc/75/04/01/621750401.db2.gz PEWCYQRUTROJPU-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP CCSc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000903459099 621752650 /nfs/dbraw/zinc/75/26/50/621752650.db2.gz BIEHLRIQPBDHSY-ZIAGYGMSSA-N 2 1 264.438 3.158 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2[nH]1 ZINC000903454373 621761295 /nfs/dbraw/zinc/76/12/95/621761295.db2.gz ZCOYZZKLQRGLDN-WMZOPIPTSA-N 2 1 283.419 3.132 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCSC[C@@H]2c2ccccc2)C1 ZINC000903481438 621765111 /nfs/dbraw/zinc/76/51/11/621765111.db2.gz BSPYNKJTMBIYMB-USXIJHARSA-N 2 1 290.476 3.294 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903723564 621796709 /nfs/dbraw/zinc/79/67/09/621796709.db2.gz IOOIAMFBECXLKJ-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903723564 621796711 /nfs/dbraw/zinc/79/67/11/621796711.db2.gz IOOIAMFBECXLKJ-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CCCC[NH2+]C1)CCC2 ZINC000903739329 621801137 /nfs/dbraw/zinc/80/11/37/621801137.db2.gz HKLZGMNXXYBLKY-UKRRQHHQSA-N 2 1 293.480 3.150 20 0 CGADMP [NH3+][C@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)CC(F)F ZINC000903922960 621833622 /nfs/dbraw/zinc/83/36/22/621833622.db2.gz IGNWAKQCQRGXJV-NSHDSACASA-N 2 1 297.176 3.108 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)s1 ZINC000903811845 621813932 /nfs/dbraw/zinc/81/39/32/621813932.db2.gz OOJOBJOGMBRLBH-OAHLLOKOSA-N 2 1 293.480 3.243 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000903847979 621820374 /nfs/dbraw/zinc/82/03/74/621820374.db2.gz XKHPHASPRRXAET-WBAXXEDZSA-N 2 1 266.388 3.151 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCSc1ccc(Cl)cc1)C2 ZINC000903846985 621820519 /nfs/dbraw/zinc/82/05/19/621820519.db2.gz ROFQRPAYQWSEBF-UBHSHLNASA-N 2 1 296.867 3.244 20 0 CGADMP CC[N@@H+](CCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884505 621826866 /nfs/dbraw/zinc/82/68/66/621826866.db2.gz BDWJZXWZVQSLSQ-AYHJJNSGSA-N 2 1 272.436 3.082 20 0 CGADMP CC[C@](C)([NH2+]C[C@H]([NH3+])CC(F)F)c1ccc(F)cc1 ZINC000903935446 621835264 /nfs/dbraw/zinc/83/52/64/621835264.db2.gz POPGMXSIUTXHNU-OCCSQVGLSA-N 2 1 274.330 3.023 20 0 CGADMP C[C@]1(C[N@H+]2CCCCC[C@@H]2c2ccncc2)CCC[NH2+]C1 ZINC000904301196 621901669 /nfs/dbraw/zinc/90/16/69/621901669.db2.gz AWAXKYLMWSEHRS-MSOLQXFVSA-N 2 1 287.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904327187 621907288 /nfs/dbraw/zinc/90/72/88/621907288.db2.gz ZWSJTOASJDYXMK-SFHVURJKSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904327187 621907291 /nfs/dbraw/zinc/90/72/91/621907291.db2.gz ZWSJTOASJDYXMK-SFHVURJKSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000904374383 621914254 /nfs/dbraw/zinc/91/42/54/621914254.db2.gz RROOHTFFPBCDEF-OWCLPIDISA-N 2 1 282.472 3.031 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)CC1(C)C ZINC000906516600 622242258 /nfs/dbraw/zinc/24/22/58/622242258.db2.gz PNBUFNZYBSHULC-INIZCTEOSA-N 2 1 299.418 3.304 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)CC1(C)C ZINC000906516600 622242265 /nfs/dbraw/zinc/24/22/65/622242265.db2.gz PNBUFNZYBSHULC-INIZCTEOSA-N 2 1 299.418 3.304 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180696 622997491 /nfs/dbraw/zinc/99/74/91/622997491.db2.gz BYMQPDXXVAHEEA-UHFFFAOYSA-N 2 1 283.485 3.118 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC000228476209 623058716 /nfs/dbraw/zinc/05/87/16/623058716.db2.gz KNHFCKAMRYHHHY-NWANDNLSSA-N 2 1 298.352 3.265 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC000228476203 623058743 /nfs/dbraw/zinc/05/87/43/623058743.db2.gz KNHFCKAMRYHHHY-BPLDGKMQSA-N 2 1 298.352 3.265 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCc2ccccc2C1 ZINC000062946162 623281160 /nfs/dbraw/zinc/28/11/60/623281160.db2.gz HRIXETMBDUPBIS-UHFFFAOYSA-N 2 1 260.425 3.344 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000921688723 625839864 /nfs/dbraw/zinc/83/98/64/625839864.db2.gz CLGYTBUJCWNAQY-HRCADAONSA-N 2 1 284.513 3.371 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922667237 626028603 /nfs/dbraw/zinc/02/86/03/626028603.db2.gz JQBNIYMRXLWMKF-VNQPRFMTSA-N 2 1 276.399 3.412 20 0 CGADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCS2 ZINC000922840915 626055253 /nfs/dbraw/zinc/05/52/53/626055253.db2.gz UIFYMFHEQYKKCS-SOUVJXGZSA-N 2 1 280.481 3.021 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCSC3(CCC3)C2)CC1(C)C ZINC000922843224 626056341 /nfs/dbraw/zinc/05/63/41/626056341.db2.gz QRKYRUJTQJZSQM-KBPBESRZSA-N 2 1 282.497 3.267 20 0 CGADMP C(=C\[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)\c1ccccc1 ZINC000923272696 626141965 /nfs/dbraw/zinc/14/19/65/626141965.db2.gz OZKANQALHJNMKY-CNZFZVQHSA-N 2 1 270.420 3.164 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488422 626157756 /nfs/dbraw/zinc/15/77/56/626157756.db2.gz FRUMTOLYLODCPH-BBRMVZONSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923526025 626160932 /nfs/dbraw/zinc/16/09/32/626160932.db2.gz NIGIZHRHJRYCHY-IUODEOHRSA-N 2 1 298.883 3.408 20 0 CGADMP C[C@]1(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1(Cl)Cl ZINC000839128146 626321222 /nfs/dbraw/zinc/32/12/22/626321222.db2.gz DCHZYBFHQDVLGF-ZDUSSCGKSA-N 2 1 291.266 3.177 20 0 CGADMP CCCCCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000759381531 626892862 /nfs/dbraw/zinc/89/28/62/626892862.db2.gz ZCXAJZHRGVTBMJ-ULQDDVLXSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000759381531 626892863 /nfs/dbraw/zinc/89/28/63/626892863.db2.gz ZCXAJZHRGVTBMJ-ULQDDVLXSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000759381531 626892866 /nfs/dbraw/zinc/89/28/66/626892866.db2.gz ZCXAJZHRGVTBMJ-ULQDDVLXSA-N 2 1 284.488 3.122 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(CF)cc2)CC1 ZINC000759968079 626933207 /nfs/dbraw/zinc/93/32/07/626933207.db2.gz VAYPFBAIKBBOIF-INIZCTEOSA-N 2 1 264.388 3.072 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)c1 ZINC000765075694 627239330 /nfs/dbraw/zinc/23/93/30/627239330.db2.gz VLWRLWBPMQTPDB-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000765358993 627246529 /nfs/dbraw/zinc/24/65/29/627246529.db2.gz JNOCWIBWAZXERF-DVOMOZLQSA-N 2 1 264.388 3.002 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(F)c2)[C@@H](C)C1 ZINC000765358500 627246663 /nfs/dbraw/zinc/24/66/63/627246663.db2.gz GSAGPFUBFBASIM-ZQIUZPCESA-N 2 1 278.415 3.249 20 0 CGADMP CCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765977084 627282821 /nfs/dbraw/zinc/28/28/21/627282821.db2.gz PVAXGKIWXCBPMS-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000766080350 627293056 /nfs/dbraw/zinc/29/30/56/627293056.db2.gz DQXWLAKDGRCUPF-SFHVURJKSA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000767002474 627376258 /nfs/dbraw/zinc/37/62/58/627376258.db2.gz OAUXSNPMLLENLJ-UHFFFAOYSA-N 2 1 293.455 3.352 20 0 CGADMP C[N@@H+](Cc1cncc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000768547887 627486175 /nfs/dbraw/zinc/48/61/75/627486175.db2.gz YVSOFMHOPGAJDL-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[N@H+](Cc1cncc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000768547887 627486176 /nfs/dbraw/zinc/48/61/76/627486176.db2.gz YVSOFMHOPGAJDL-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cncc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000768547887 627486178 /nfs/dbraw/zinc/48/61/78/627486178.db2.gz YVSOFMHOPGAJDL-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cncc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000768547887 627486179 /nfs/dbraw/zinc/48/61/79/627486179.db2.gz YVSOFMHOPGAJDL-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CC(C(F)F)C1)Cc1ccccc1 ZINC000768670670 627491777 /nfs/dbraw/zinc/49/17/77/627491777.db2.gz XPCQHTIOFPXTPZ-UHFFFAOYSA-N 2 1 282.378 3.142 20 0 CGADMP C[C@H]1CCC[C@@](C[NH2+]C2CC(C(F)F)C2)([NH+](C)C)C1 ZINC000768687947 627493570 /nfs/dbraw/zinc/49/35/70/627493570.db2.gz NFGSAJITIWVREV-LFUGVXIPSA-N 2 1 274.399 3.130 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620508 628289216 /nfs/dbraw/zinc/28/92/16/628289216.db2.gz QZAJLXQIKDLSBN-YOEHRIQHSA-N 2 1 278.415 3.318 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620508 628289218 /nfs/dbraw/zinc/28/92/18/628289218.db2.gz QZAJLXQIKDLSBN-YOEHRIQHSA-N 2 1 278.415 3.318 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620508 628289224 /nfs/dbraw/zinc/28/92/24/628289224.db2.gz QZAJLXQIKDLSBN-YOEHRIQHSA-N 2 1 278.415 3.318 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCCSC1)[NH+]1CCC(C)CC1 ZINC000783540541 628723071 /nfs/dbraw/zinc/72/30/71/628723071.db2.gz ZCJVGLBMSXIHPF-JKSUJKDBSA-N 2 1 284.513 3.228 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3-c3ccccc3)C[C@@H]2C1 ZINC000787305952 629007675 /nfs/dbraw/zinc/00/76/75/629007675.db2.gz QFCVHNLDFWAOKT-KDURUIRLSA-N 2 1 292.426 3.347 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3-c3ccccc3)C[C@@H]2C1 ZINC000787305952 629007680 /nfs/dbraw/zinc/00/76/80/629007680.db2.gz QFCVHNLDFWAOKT-KDURUIRLSA-N 2 1 292.426 3.347 20 0 CGADMP C[NH+]1CCC(C[N@@H+](CC2CC2)C2CCCCC2)CC1 ZINC000788482268 629058250 /nfs/dbraw/zinc/05/82/50/629058250.db2.gz LCNNTBNLIRHBTL-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790055711 629180831 /nfs/dbraw/zinc/18/08/31/629180831.db2.gz QQJULKPSJJLBKL-NVXWUHKLSA-N 2 1 272.436 3.038 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)[NH+](C)C ZINC000862268004 629334777 /nfs/dbraw/zinc/33/47/77/629334777.db2.gz RJFUHUCEFDHQJX-RISCZKNCSA-N 2 1 276.415 3.376 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000796832067 629843680 /nfs/dbraw/zinc/84/36/80/629843680.db2.gz LTDCHKGEJJMERX-NXHRZFHOSA-N 2 1 272.436 3.266 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(C)nc(Cl)c2)CC1 ZINC000797597832 629967516 /nfs/dbraw/zinc/96/75/16/629967516.db2.gz KAWVFJSNFSJMNB-UHFFFAOYSA-N 2 1 295.858 3.398 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000865633963 630239753 /nfs/dbraw/zinc/23/97/53/630239753.db2.gz SCLWPRQHXZVTKO-MRXNPFEDSA-N 2 1 289.467 3.039 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000865633963 630239760 /nfs/dbraw/zinc/23/97/60/630239760.db2.gz SCLWPRQHXZVTKO-MRXNPFEDSA-N 2 1 289.467 3.039 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCSC(C)(C)C)CC1 ZINC000801923743 630367726 /nfs/dbraw/zinc/36/77/26/630367726.db2.gz CXRXLBGYFLIKNJ-UHFFFAOYSA-N 2 1 272.502 3.324 20 0 CGADMP C=C/C=C\CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286300 635445938 /nfs/dbraw/zinc/44/59/38/635445938.db2.gz MVQQOMMWBCJUNY-NSWPXQNRSA-N 2 1 260.425 3.067 20 0 CGADMP C=C/C=C\CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286300 635445944 /nfs/dbraw/zinc/44/59/44/635445944.db2.gz MVQQOMMWBCJUNY-NSWPXQNRSA-N 2 1 260.425 3.067 20 0 CGADMP C=C/C=C\CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878286300 635445955 /nfs/dbraw/zinc/44/59/55/635445955.db2.gz MVQQOMMWBCJUNY-NSWPXQNRSA-N 2 1 260.425 3.067 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000816648243 632035004 /nfs/dbraw/zinc/03/50/04/632035004.db2.gz HMBWCJAITRCQGC-HOTGVXAUSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1(Cl)Cl ZINC000817935248 632237661 /nfs/dbraw/zinc/23/76/61/632237661.db2.gz AVRQROWKPZYPGB-FRRDWIJNSA-N 2 1 285.218 3.305 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(SC(F)F)cc1 ZINC000817960693 632256190 /nfs/dbraw/zinc/25/61/90/632256190.db2.gz PVMIOYFNDMCEBX-ZANVPECISA-N 2 1 286.391 3.389 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1C ZINC000817963974 632258592 /nfs/dbraw/zinc/25/85/92/632258592.db2.gz ZSVHREAQKZZKDK-TZMCWYRMSA-N 2 1 252.377 3.302 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000817981219 632271554 /nfs/dbraw/zinc/27/15/54/632271554.db2.gz HGTKOTPQLVMONQ-SJORKVTESA-N 2 1 258.409 3.089 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CC[C@H]1CC1(Cl)Cl)CC[NH2+]CC2 ZINC000818339508 632309732 /nfs/dbraw/zinc/30/97/32/632309732.db2.gz ARQCBTGSMZHUCW-NEPJUHHUSA-N 2 1 291.266 3.034 20 0 CGADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000821372885 632759760 /nfs/dbraw/zinc/75/97/60/632759760.db2.gz AUGFQYFDIQZITK-XWTMOSNGSA-N 2 1 294.483 3.140 20 0 CGADMP C([NH2+]C[C@@H]1CCSC1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865804789 632894859 /nfs/dbraw/zinc/89/48/59/632894859.db2.gz HXPPVTOCUPIVCL-HOCLYGCPSA-N 2 1 282.497 3.126 20 0 CGADMP C([NH2+]C[C@@H]1CCSC1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000865804789 632894861 /nfs/dbraw/zinc/89/48/61/632894861.db2.gz HXPPVTOCUPIVCL-HOCLYGCPSA-N 2 1 282.497 3.126 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000865850874 632916564 /nfs/dbraw/zinc/91/65/64/632916564.db2.gz BRXIEAWLFYCSTI-OCCSQVGLSA-N 2 1 287.407 3.351 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000865850874 632916566 /nfs/dbraw/zinc/91/65/66/632916566.db2.gz BRXIEAWLFYCSTI-OCCSQVGLSA-N 2 1 287.407 3.351 20 0 CGADMP C[NH+]1CCC2(CCN(c3cc[nH+]cc3Cl)CC2)CC1 ZINC000866055518 632987686 /nfs/dbraw/zinc/98/76/86/632987686.db2.gz XGFGOBDRLBDSAZ-UHFFFAOYSA-N 2 1 279.815 3.047 20 0 CGADMP Fc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000866229213 633036491 /nfs/dbraw/zinc/03/64/91/633036491.db2.gz ONBPDMFJWVYMHM-ACJLOTCBSA-N 2 1 288.410 3.277 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000866451711 633141174 /nfs/dbraw/zinc/14/11/74/633141174.db2.gz WJBRMNQTDVEDFA-YHNBSYBMSA-N 2 1 282.472 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC[N@H+]1C ZINC000866451711 633141176 /nfs/dbraw/zinc/14/11/76/633141176.db2.gz WJBRMNQTDVEDFA-YHNBSYBMSA-N 2 1 282.472 3.185 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000866704967 633234822 /nfs/dbraw/zinc/23/48/22/633234822.db2.gz RNGHIUWJETZKBY-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000866704967 633234825 /nfs/dbraw/zinc/23/48/25/633234825.db2.gz RNGHIUWJETZKBY-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP Cc1cc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000123280987 633640697 /nfs/dbraw/zinc/64/06/97/633640697.db2.gz YSKUGGKAGMIDEV-INIZCTEOSA-N 2 1 278.440 3.354 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)o1 ZINC000123280987 633640703 /nfs/dbraw/zinc/64/07/03/633640703.db2.gz YSKUGGKAGMIDEV-INIZCTEOSA-N 2 1 278.440 3.354 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000123280987 633640706 /nfs/dbraw/zinc/64/07/06/633640706.db2.gz YSKUGGKAGMIDEV-INIZCTEOSA-N 2 1 278.440 3.354 20 0 CGADMP CCC(C)(C)CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785531 633864143 /nfs/dbraw/zinc/86/41/43/633864143.db2.gz VUJPIAKZHGASNM-AGUYFDCRSA-N 2 1 281.444 3.184 20 0 CGADMP CCC(C)(C)CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785531 633864146 /nfs/dbraw/zinc/86/41/46/633864146.db2.gz VUJPIAKZHGASNM-AGUYFDCRSA-N 2 1 281.444 3.184 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](CC)[C@@H]1CCCOC1)[NH+](C)C ZINC000872021855 633941955 /nfs/dbraw/zinc/94/19/55/633941955.db2.gz SGLSGUQJNNTFEG-ZACQAIPSSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000872024219 633944839 /nfs/dbraw/zinc/94/48/39/633944839.db2.gz YUDVFIMMLIRDHM-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000872024219 633944842 /nfs/dbraw/zinc/94/48/42/633944842.db2.gz YUDVFIMMLIRDHM-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000872026181 633945848 /nfs/dbraw/zinc/94/58/48/633945848.db2.gz YTBIPYQVZMWTTH-NEPJUHHUSA-N 2 1 266.351 3.037 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(O)c1F ZINC000872039370 633959666 /nfs/dbraw/zinc/95/96/66/633959666.db2.gz RKHUYMCFGNTSBP-GFCCVEGCSA-N 2 1 291.370 3.167 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872080563 634004212 /nfs/dbraw/zinc/00/42/12/634004212.db2.gz AGTCUHKFVUHBPL-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1)C1CCCC1 ZINC000872158428 634068823 /nfs/dbraw/zinc/06/88/23/634068823.db2.gz VARSDCPEIWHBMR-FUHWJXTLSA-N 2 1 287.451 3.201 20 0 CGADMP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872251761 634088957 /nfs/dbraw/zinc/08/89/57/634088957.db2.gz MLJNHDWFJPANJN-GFCCVEGCSA-N 2 1 296.842 3.216 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000832761940 634092379 /nfs/dbraw/zinc/09/23/79/634092379.db2.gz YXUYRIXUCAUFKZ-GFCCVEGCSA-N 2 1 279.255 3.034 20 0 CGADMP CCCCCC[N@@H+](C)CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000832794473 634097729 /nfs/dbraw/zinc/09/77/29/634097729.db2.gz WOWLFNAJIKPGLC-AWEZNQCLSA-N 2 1 291.439 3.157 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000873224060 634291332 /nfs/dbraw/zinc/29/13/32/634291332.db2.gz XAZMFSXZVGBKFU-MRXNPFEDSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CC[C@](C)(c3ccccc3)C1)C2 ZINC000873229368 634291421 /nfs/dbraw/zinc/29/14/21/634291421.db2.gz VFSBYPQSLHBSEW-ZSYWTGECSA-N 2 1 284.447 3.038 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877020527 634952607 /nfs/dbraw/zinc/95/26/07/634952607.db2.gz WQYHZGHFRYZSNN-CYBMUJFWSA-N 2 1 295.858 3.132 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877020527 634952612 /nfs/dbraw/zinc/95/26/12/634952612.db2.gz WQYHZGHFRYZSNN-CYBMUJFWSA-N 2 1 295.858 3.132 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000877525333 635071637 /nfs/dbraw/zinc/07/16/37/635071637.db2.gz ZPIOEPDQDBGUOA-FUHWJXTLSA-N 2 1 274.452 3.246 20 0 CGADMP Cc1oc2ccccc2c1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739460 635174007 /nfs/dbraw/zinc/17/40/07/635174007.db2.gz GHAHFGZYLJYRQV-WMLDXEAASA-N 2 1 284.403 3.267 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739460 635174009 /nfs/dbraw/zinc/17/40/09/635174009.db2.gz GHAHFGZYLJYRQV-WMLDXEAASA-N 2 1 284.403 3.267 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739460 635174010 /nfs/dbraw/zinc/17/40/10/635174010.db2.gz GHAHFGZYLJYRQV-WMLDXEAASA-N 2 1 284.403 3.267 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877744454 635179358 /nfs/dbraw/zinc/17/93/58/635179358.db2.gz TYSRXFHENUZPJK-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000877744454 635179362 /nfs/dbraw/zinc/17/93/62/635179362.db2.gz TYSRXFHENUZPJK-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000877744454 635179366 /nfs/dbraw/zinc/17/93/66/635179366.db2.gz TYSRXFHENUZPJK-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCO[C@H](C)C1 ZINC000877767160 635193121 /nfs/dbraw/zinc/19/31/21/635193121.db2.gz AWROVDDCTCUOMV-AEFFLSMTSA-N 2 1 296.499 3.101 20 0 CGADMP Cc1ncsc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767599 635194097 /nfs/dbraw/zinc/19/40/97/635194097.db2.gz PCXRQLBYSQERMB-UHFFFAOYSA-N 2 1 295.496 3.251 20 0 CGADMP Cc1noc(C)c1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767613 635194382 /nfs/dbraw/zinc/19/43/82/635194382.db2.gz PPJHZOMHHVTRDC-UHFFFAOYSA-N 2 1 293.455 3.091 20 0 CGADMP Cc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)nc1 ZINC000877767828 635194590 /nfs/dbraw/zinc/19/45/90/635194590.db2.gz WUMXRLCPATVTND-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878034086 635330915 /nfs/dbraw/zinc/33/09/15/635330915.db2.gz ISDTZSJCJHPKCW-OAHLLOKOSA-N 2 1 296.499 3.385 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])C[C@@H](c2ccccc2)O1 ZINC000842471944 635376575 /nfs/dbraw/zinc/37/65/75/635376575.db2.gz IMIUPVKUXYFIQP-WMZOPIPTSA-N 2 1 290.451 3.358 20 0 CGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842476433 635377731 /nfs/dbraw/zinc/37/77/31/635377731.db2.gz OHTKXKSREYHESB-HNNXBMFYSA-N 2 1 278.444 3.073 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000842476530 635379257 /nfs/dbraw/zinc/37/92/57/635379257.db2.gz QPKQZORMKPVHOE-UHFFFAOYSA-N 2 1 264.388 3.093 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC000878155563 635382969 /nfs/dbraw/zinc/38/29/69/635382969.db2.gz COSVECQQCNUAEV-MRXNPFEDSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878155563 635382970 /nfs/dbraw/zinc/38/29/70/635382970.db2.gz COSVECQQCNUAEV-MRXNPFEDSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878155563 635382976 /nfs/dbraw/zinc/38/29/76/635382976.db2.gz COSVECQQCNUAEV-MRXNPFEDSA-N 2 1 276.468 3.230 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC000878155561 635384067 /nfs/dbraw/zinc/38/40/67/635384067.db2.gz COSVECQQCNUAEV-INIZCTEOSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878155561 635384072 /nfs/dbraw/zinc/38/40/72/635384072.db2.gz COSVECQQCNUAEV-INIZCTEOSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878155561 635384079 /nfs/dbraw/zinc/38/40/79/635384079.db2.gz COSVECQQCNUAEV-INIZCTEOSA-N 2 1 276.468 3.230 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000878257154 635436397 /nfs/dbraw/zinc/43/63/97/635436397.db2.gz FNCMZJCSQPPASD-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000878257154 635436401 /nfs/dbraw/zinc/43/64/01/635436401.db2.gz FNCMZJCSQPPASD-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000878257154 635436407 /nfs/dbraw/zinc/43/64/07/635436407.db2.gz FNCMZJCSQPPASD-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)F)cc1 ZINC000843053613 635551048 /nfs/dbraw/zinc/55/10/48/635551048.db2.gz ONUFNLOCQPXHAC-GOOCMWNKSA-N 2 1 280.362 3.468 20 0 CGADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000843119123 635560978 /nfs/dbraw/zinc/56/09/78/635560978.db2.gz DYCVTKDFGLAGBO-GFCCVEGCSA-N 2 1 286.341 3.232 20 0 CGADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000843119123 635560984 /nfs/dbraw/zinc/56/09/84/635560984.db2.gz DYCVTKDFGLAGBO-GFCCVEGCSA-N 2 1 286.341 3.232 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000878693327 635606518 /nfs/dbraw/zinc/60/65/18/635606518.db2.gz RSDDWEZWOVZEHS-ZDUSSCGKSA-N 2 1 274.399 3.276 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)OC1CCCCCC1 ZINC000843362517 635654166 /nfs/dbraw/zinc/65/41/66/635654166.db2.gz AWHKCVNKFYCLIV-SJLPKXTDSA-N 2 1 294.483 3.190 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCSC(C)(C)C)CC1 ZINC000879286199 635747337 /nfs/dbraw/zinc/74/73/37/635747337.db2.gz NIIKTCWBZDSVSK-UHFFFAOYSA-N 2 1 272.502 3.324 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC/C=C/c3ccccc3)CC[C@@H]21 ZINC000879578029 635816687 /nfs/dbraw/zinc/81/66/87/635816687.db2.gz AFRQRIWILTWBMH-LUUOPXGJSA-N 2 1 270.420 3.116 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC/C=C/c3ccccc3)CC[C@@H]21 ZINC000879578029 635816691 /nfs/dbraw/zinc/81/66/91/635816691.db2.gz AFRQRIWILTWBMH-LUUOPXGJSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC/C=C/c3ccccc3)CC[C@@H]21 ZINC000879578029 635816697 /nfs/dbraw/zinc/81/66/97/635816697.db2.gz AFRQRIWILTWBMH-LUUOPXGJSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)CC[C@@H]21 ZINC000879578029 635816699 /nfs/dbraw/zinc/81/66/99/635816699.db2.gz AFRQRIWILTWBMH-LUUOPXGJSA-N 2 1 270.420 3.116 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000844902562 635980783 /nfs/dbraw/zinc/98/07/83/635980783.db2.gz QPKPOFWFDUGKSD-JSGCOSHPSA-N 2 1 281.469 3.216 20 0 CGADMP CCC[N@@H+](CCCCCC[NH3+])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000846219853 636162478 /nfs/dbraw/zinc/16/24/78/636162478.db2.gz ZNMZITYFNVVESZ-OAGGEKHMSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846225687 636163590 /nfs/dbraw/zinc/16/35/90/636163590.db2.gz QYMQCBHSEZRGCL-QGZVFWFLSA-N 2 1 278.415 3.308 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC3(CC3)C2)cn1 ZINC000883174489 636566361 /nfs/dbraw/zinc/56/63/61/636566361.db2.gz LJAXRCATCFWPLY-MRXNPFEDSA-N 2 1 296.418 3.388 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@@H]2CCC[C@@H]21 ZINC000883260128 636630984 /nfs/dbraw/zinc/63/09/84/636630984.db2.gz KVJZIFGTXOZPQN-AVGNSLFASA-N 2 1 274.399 3.130 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000131729115 636744500 /nfs/dbraw/zinc/74/45/00/636744500.db2.gz BQCPQBUIMDNEGY-UKRRQHHQSA-N 2 1 260.425 3.153 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883416003 636749467 /nfs/dbraw/zinc/74/94/67/636749467.db2.gz JJJSOGIADSZJDW-XOYOTBSWSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883416003 636749476 /nfs/dbraw/zinc/74/94/76/636749476.db2.gz JJJSOGIADSZJDW-XOYOTBSWSA-N 2 1 288.435 3.108 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)O1 ZINC000883435085 636754859 /nfs/dbraw/zinc/75/48/59/636754859.db2.gz KGFRUDGBMKPUSS-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+][C@@H]1CCCCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883437846 636756383 /nfs/dbraw/zinc/75/63/83/636756383.db2.gz CJJLGKAMROHITN-QWHCGFSZSA-N 2 1 260.372 3.015 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000883439393 636757470 /nfs/dbraw/zinc/75/74/70/636757470.db2.gz QAGQJNHSMBCETG-RHSMWYFYSA-N 2 1 282.472 3.031 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000885981820 637341375 /nfs/dbraw/zinc/34/13/75/637341375.db2.gz OIGGBOJSMKBWOT-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000885981820 637341380 /nfs/dbraw/zinc/34/13/80/637341380.db2.gz OIGGBOJSMKBWOT-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCC3)CO2)C[C@H]1C ZINC000886033544 637377047 /nfs/dbraw/zinc/37/70/47/637377047.db2.gz WSJDEHMXZSMCBN-IXDOHACOSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC3(CCC3)CO2)C[C@H]1C ZINC000886033544 637377049 /nfs/dbraw/zinc/37/70/49/637377049.db2.gz WSJDEHMXZSMCBN-IXDOHACOSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC3(CCC3)CO2)C[C@H]1C ZINC000886033544 637377062 /nfs/dbraw/zinc/37/70/62/637377062.db2.gz WSJDEHMXZSMCBN-IXDOHACOSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CCO[C@H](C)C3)CC2)[nH+]c1C ZINC000886662438 637638542 /nfs/dbraw/zinc/63/85/42/637638542.db2.gz DNBHKQPJHWBCQK-DOMZBBRYSA-N 2 1 291.439 3.021 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CCO[C@@H](C)C3)CC2)[nH+]c1C ZINC000886662441 637638621 /nfs/dbraw/zinc/63/86/21/637638621.db2.gz DNBHKQPJHWBCQK-WFASDCNBSA-N 2 1 291.439 3.021 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCOC(C)(C)C)CC2)[nH+]c1C ZINC000886663273 637639739 /nfs/dbraw/zinc/63/97/39/637639739.db2.gz XHSDWERJZJRXDE-UHFFFAOYSA-N 2 1 279.428 3.021 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000886718085 637671023 /nfs/dbraw/zinc/67/10/23/637671023.db2.gz QBWGNRICPKKNRV-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000886792298 637692272 /nfs/dbraw/zinc/69/22/72/637692272.db2.gz UMFZGLFUOFRWEU-SFHVURJKSA-N 2 1 288.410 3.277 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000852746879 637705459 /nfs/dbraw/zinc/70/54/59/637705459.db2.gz SSELQIROBCWUHQ-UHFFFAOYSA-N 2 1 272.436 3.386 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000222947450 637835170 /nfs/dbraw/zinc/83/51/70/637835170.db2.gz RQDAHPARIHOGDC-BFYDXBDKSA-N 2 1 270.376 3.229 20 0 CGADMP [NH3+][C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)C1CC1 ZINC000113502379 638225365 /nfs/dbraw/zinc/22/53/65/638225365.db2.gz HIKBEWLDAYSZBI-LBPRGKRZSA-N 2 1 261.756 3.037 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924572028 638365501 /nfs/dbraw/zinc/36/55/01/638365501.db2.gz PZTKNGSQDQHNGH-KBAYOESNSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000924694211 638389611 /nfs/dbraw/zinc/38/96/11/638389611.db2.gz KXHAIIXRKMMWHK-CRAIPNDOSA-N 2 1 289.467 3.113 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000924698584 638390789 /nfs/dbraw/zinc/39/07/89/638390789.db2.gz ZZQLMCONUOQBQH-IXDOHACOSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000925132712 638457363 /nfs/dbraw/zinc/45/73/63/638457363.db2.gz JHKKHXLTLSKWQE-GFCCVEGCSA-N 2 1 291.370 3.167 20 0 CGADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000925565889 638532218 /nfs/dbraw/zinc/53/22/18/638532218.db2.gz AUKOLGNAIOGSHE-AWEZNQCLSA-N 2 1 276.449 3.041 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@H]3CC[NH2+]C34CCC4)c[nH]c21 ZINC000925570996 638533566 /nfs/dbraw/zinc/53/35/66/638533566.db2.gz CPCAISOFRHZHKS-KRWDZBQOSA-N 2 1 297.446 3.147 20 0 CGADMP CSCC1(CC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925705050 638573964 /nfs/dbraw/zinc/57/39/64/638573964.db2.gz IXAFCIXOFDHTSN-HIFRSBDPSA-N 2 1 278.465 3.198 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000925719350 638579233 /nfs/dbraw/zinc/57/92/33/638579233.db2.gz SGPPWEQANMDHDV-RDDKANTKSA-N 2 1 258.409 3.101 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000925776897 638608639 /nfs/dbraw/zinc/60/86/39/638608639.db2.gz NSIOHUQDMNXFRY-CHWSQXEVSA-N 2 1 288.407 3.424 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C2CCC2)o1 ZINC000925779034 638611029 /nfs/dbraw/zinc/61/10/29/638611029.db2.gz VZPJZFCGYWLBQP-ZFWWWQNUSA-N 2 1 298.377 3.264 20 0 CGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000925834067 638626864 /nfs/dbraw/zinc/62/68/64/638626864.db2.gz VGCHFMRASKGDAK-VXGBXAGGSA-N 2 1 293.480 3.018 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000858157987 638647353 /nfs/dbraw/zinc/64/73/53/638647353.db2.gz XEEJIZLOOSZBTK-OCCSQVGLSA-N 2 1 293.480 3.291 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000858157987 638647359 /nfs/dbraw/zinc/64/73/59/638647359.db2.gz XEEJIZLOOSZBTK-OCCSQVGLSA-N 2 1 293.480 3.291 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccnc(Cl)c1 ZINC000858490954 638740621 /nfs/dbraw/zinc/74/06/21/638740621.db2.gz TZTGLLVZRFOYDX-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccnc(Cl)c1 ZINC000858490954 638740623 /nfs/dbraw/zinc/74/06/23/638740623.db2.gz TZTGLLVZRFOYDX-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000926903015 638823427 /nfs/dbraw/zinc/82/34/27/638823427.db2.gz CYAQHXXCEKLBDE-IJEWVQPXSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000926903015 638823428 /nfs/dbraw/zinc/82/34/28/638823428.db2.gz CYAQHXXCEKLBDE-IJEWVQPXSA-N 2 1 276.424 3.137 20 0 CGADMP CCC[C@H]([NH2+]C[C@H](CN(C)C)OCC)c1ccsc1 ZINC000926963859 638829397 /nfs/dbraw/zinc/82/93/97/638829397.db2.gz VLPHPMXGIANLNK-CABCVRRESA-N 2 1 284.469 3.146 20 0 CGADMP COC/C(C)=C\C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000929507932 638929579 /nfs/dbraw/zinc/92/95/79/638929579.db2.gz BKSJSOPXOCEIRX-ZTXRYZOMSA-N 2 1 294.483 3.167 20 0 CGADMP COC/C(C)=C\C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000929507932 638929581 /nfs/dbraw/zinc/92/95/81/638929581.db2.gz BKSJSOPXOCEIRX-ZTXRYZOMSA-N 2 1 294.483 3.167 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2CF)C1 ZINC000929780534 638950582 /nfs/dbraw/zinc/95/05/82/638950582.db2.gz OHMOSOWLQNBLBJ-HNNXBMFYSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2CF)C1 ZINC000929780534 638950583 /nfs/dbraw/zinc/95/05/83/638950583.db2.gz OHMOSOWLQNBLBJ-HNNXBMFYSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2CF)C1 ZINC000929780534 638950585 /nfs/dbraw/zinc/95/05/85/638950585.db2.gz OHMOSOWLQNBLBJ-HNNXBMFYSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000929780534 638950587 /nfs/dbraw/zinc/95/05/87/638950587.db2.gz OHMOSOWLQNBLBJ-HNNXBMFYSA-N 2 1 278.415 3.320 20 0 CGADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCC2CCCCC2)CC1 ZINC000930614462 639038183 /nfs/dbraw/zinc/03/81/83/639038183.db2.gz ZMHZAEHBXSIXPQ-UHFFFAOYSA-N 2 1 296.499 3.172 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433920 639148790 /nfs/dbraw/zinc/14/87/90/639148790.db2.gz LDARGUOFYMNUMT-BBWFWOEESA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433920 639148793 /nfs/dbraw/zinc/14/87/93/639148793.db2.gz LDARGUOFYMNUMT-BBWFWOEESA-N 2 1 258.409 3.021 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432670 639148959 /nfs/dbraw/zinc/14/89/59/639148959.db2.gz ZEMGVOCUYBTRAI-HZSPNIEDSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccccc1Cl)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432670 639148961 /nfs/dbraw/zinc/14/89/61/639148961.db2.gz ZEMGVOCUYBTRAI-HZSPNIEDSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccccc1Cl)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432670 639148964 /nfs/dbraw/zinc/14/89/64/639148964.db2.gz ZEMGVOCUYBTRAI-HZSPNIEDSA-N 2 1 278.827 3.285 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932405084 639325997 /nfs/dbraw/zinc/32/59/97/639325997.db2.gz FKICRSRLLLOZLR-UHFFFAOYSA-N 2 1 287.382 3.385 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932405084 639326003 /nfs/dbraw/zinc/32/60/03/639326003.db2.gz FKICRSRLLLOZLR-UHFFFAOYSA-N 2 1 287.382 3.385 20 0 CGADMP CCC[C@](C)([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000934179271 639552302 /nfs/dbraw/zinc/55/23/02/639552302.db2.gz BSNILRMBSXLIRT-KRWDZBQOSA-N 2 1 271.408 3.268 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094365743 640794695 /nfs/dbraw/zinc/79/46/95/640794695.db2.gz NYDAPEKHKVSDKX-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP FC(F)(F)[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251522533 640827374 /nfs/dbraw/zinc/82/73/74/640827374.db2.gz WZIRNYDRZYSITL-CPIKKWJDSA-N 2 1 290.373 3.181 20 0 CGADMP COc1ccc(C)[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001156044114 805644788 /nfs/dbraw/zinc/64/47/88/805644788.db2.gz GISCJCIZFZIAIT-UHFFFAOYSA-N 2 1 285.391 3.072 20 0 CGADMP CCC[N@H+]1C[C@H]2CN(c3[nH+]c(C)cc4ccccc43)C[C@H]2C1 ZINC001157691894 805852825 /nfs/dbraw/zinc/85/28/25/805852825.db2.gz LXTPDSJRHUQWOK-CALCHBBNSA-N 2 1 295.430 3.321 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(c3[nH+]c(C)cc4ccccc43)C[C@H]2C1 ZINC001157691894 805852835 /nfs/dbraw/zinc/85/28/35/805852835.db2.gz LXTPDSJRHUQWOK-CALCHBBNSA-N 2 1 295.430 3.321 20 0 CGADMP Cc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001158259688 805929151 /nfs/dbraw/zinc/92/91/51/805929151.db2.gz QQHVFYKFLWPZMB-CJNGLKHVSA-N 2 1 261.413 3.346 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1ccc(C)cc1 ZINC001253213672 806183146 /nfs/dbraw/zinc/18/31/46/806183146.db2.gz LRAHCBJIWAQFOD-QZTJIDSGSA-N 2 1 292.467 3.129 20 0 CGADMP Cc1[nH+]c(-n2c(CC[NH3+])cc3ccccc32)cc2[nH]ccc21 ZINC001160126367 806226278 /nfs/dbraw/zinc/22/62/78/806226278.db2.gz SJLNBFHJXHGJCZ-UHFFFAOYSA-N 2 1 290.370 3.316 20 0 CGADMP C[N@@H+](C[C@@H](O)C(C)(C)C)C1CC[NH+](C2CCCCC2)CC1 ZINC001253732325 806288082 /nfs/dbraw/zinc/28/80/82/806288082.db2.gz JUMMHGMMQMLKPS-QGZVFWFLSA-N 2 1 296.499 3.122 20 0 CGADMP COc1ccc2c[nH+]c(NCc3ccccc3C[NH3+])cc2c1 ZINC001160907111 806318292 /nfs/dbraw/zinc/31/82/92/806318292.db2.gz KACYNMCWKZVHSS-UHFFFAOYSA-N 2 1 293.370 3.314 20 0 CGADMP CCC(CC)[NH+]1CCC(Nc2cc(C)cc[nH+]2)CC1 ZINC001161094741 806349208 /nfs/dbraw/zinc/34/92/08/806349208.db2.gz JCSLBXYWFROFKW-UHFFFAOYSA-N 2 1 261.413 3.455 20 0 CGADMP CC(C)(C[NH2+]CCc1ccc(F)cc1)[NH+]1CCCCC1 ZINC001254328918 806381236 /nfs/dbraw/zinc/38/12/36/806381236.db2.gz RFZODPFXDBNAPK-UHFFFAOYSA-N 2 1 278.415 3.222 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)[C@H](C)C1 ZINC001254439714 806398725 /nfs/dbraw/zinc/39/87/25/806398725.db2.gz HGKVLHSKQOGEBX-GDBMZVCRSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CC1 ZINC001254501056 806422903 /nfs/dbraw/zinc/42/29/03/806422903.db2.gz PVRJGUAGPAPDID-LESVLKBLSA-N 2 1 276.468 3.277 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001254505257 806425664 /nfs/dbraw/zinc/42/56/64/806425664.db2.gz DPEYGPWYZKICPY-MLGOLLRUSA-N 2 1 280.362 3.026 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCCc2cccc(Cl)c2)CC1 ZINC001254505946 806425735 /nfs/dbraw/zinc/42/57/35/806425735.db2.gz MEMKGVSOHXAVBG-INIZCTEOSA-N 2 1 280.843 3.347 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccn1 ZINC001254508619 806428070 /nfs/dbraw/zinc/42/80/70/806428070.db2.gz KLDKZYBCVSDROH-RDJZCZTQSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccn1 ZINC001254508619 806428073 /nfs/dbraw/zinc/42/80/73/806428073.db2.gz KLDKZYBCVSDROH-RDJZCZTQSA-N 2 1 275.440 3.243 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)CCC2 ZINC001254513660 806434417 /nfs/dbraw/zinc/43/44/17/806434417.db2.gz FOGBANQJIHSURO-WMZOPIPTSA-N 2 1 272.436 3.446 20 0 CGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254530605 806442131 /nfs/dbraw/zinc/44/21/31/806442131.db2.gz ZJUXUPYPJYIALJ-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530605 806442138 /nfs/dbraw/zinc/44/21/38/806442138.db2.gz ZJUXUPYPJYIALJ-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530605 806442142 /nfs/dbraw/zinc/44/21/42/806442142.db2.gz ZJUXUPYPJYIALJ-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH2+]CCc1cn([C@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254528605 806443123 /nfs/dbraw/zinc/44/31/23/806443123.db2.gz HPDTZYXQWPBENK-INIZCTEOSA-N 2 1 285.435 3.060 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+](Cc2ccccc2)C2CC2)CC1 ZINC001254528834 806443132 /nfs/dbraw/zinc/44/31/32/806443132.db2.gz IIYKTQRFVSIIMM-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC001254528834 806443136 /nfs/dbraw/zinc/44/31/36/806443136.db2.gz IIYKTQRFVSIIMM-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC001254528834 806443138 /nfs/dbraw/zinc/44/31/38/806443138.db2.gz IIYKTQRFVSIIMM-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CCSCC1 ZINC001255093591 806541274 /nfs/dbraw/zinc/54/12/74/806541274.db2.gz XHUNCVJWWGXHQI-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP CC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135769 806552230 /nfs/dbraw/zinc/55/22/30/806552230.db2.gz FQGBNGMOSZPKGW-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135769 806552234 /nfs/dbraw/zinc/55/22/34/806552234.db2.gz FQGBNGMOSZPKGW-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135769 806552238 /nfs/dbraw/zinc/55/22/38/806552238.db2.gz FQGBNGMOSZPKGW-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(C2CC2)c[nH+]1 ZINC001162468543 806592537 /nfs/dbraw/zinc/59/25/37/806592537.db2.gz ZPSSRTVBMKCYJK-TZMCWYRMSA-N 2 1 259.397 3.007 20 0 CGADMP Cc1[nH+]c2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)cc2n1C(C)C ZINC001162477685 806593978 /nfs/dbraw/zinc/59/39/78/806593978.db2.gz NYLZTLFLIOYPST-JSGCOSHPSA-N 2 1 290.386 3.038 20 0 CGADMP CC1([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255380494 806628172 /nfs/dbraw/zinc/62/81/72/806628172.db2.gz KTALDEPETHUABC-MRXNPFEDSA-N 2 1 258.409 3.183 20 0 CGADMP CCC[N@@H+](C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255398616 806632382 /nfs/dbraw/zinc/63/23/82/806632382.db2.gz LDWPMAYDICGQEH-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255398616 806632388 /nfs/dbraw/zinc/63/23/88/806632388.db2.gz LDWPMAYDICGQEH-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255398616 806632391 /nfs/dbraw/zinc/63/23/91/806632391.db2.gz LDWPMAYDICGQEH-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1CCOC(C)(C)C1 ZINC001255545577 806669546 /nfs/dbraw/zinc/66/95/46/806669546.db2.gz HGKYQUSCWJNOHP-BBWFWOEESA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCOC(C)(C)C1 ZINC001255545577 806669552 /nfs/dbraw/zinc/66/95/52/806669552.db2.gz HGKYQUSCWJNOHP-BBWFWOEESA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCOC(C)(C)C1 ZINC001255545577 806669558 /nfs/dbraw/zinc/66/95/58/806669558.db2.gz HGKYQUSCWJNOHP-BBWFWOEESA-N 2 1 294.483 3.283 20 0 CGADMP CCCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037644248 798871647 /nfs/dbraw/zinc/87/16/47/798871647.db2.gz RHGQRXFIONWELF-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP Cc1c(F)ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001255668695 806699592 /nfs/dbraw/zinc/69/95/92/806699592.db2.gz IJCYVIWFQPMNBK-GOOCMWNKSA-N 2 1 294.389 3.378 20 0 CGADMP Cc1c(F)ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001255668695 806699594 /nfs/dbraw/zinc/69/95/94/806699594.db2.gz IJCYVIWFQPMNBK-GOOCMWNKSA-N 2 1 294.389 3.378 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522180 798969590 /nfs/dbraw/zinc/96/95/90/798969590.db2.gz BPPDTQUSRFVMSC-ZFWWWQNUSA-N 2 1 258.409 3.123 20 0 CGADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCC2)CC3)c1 ZINC000096157415 798972455 /nfs/dbraw/zinc/97/24/55/798972455.db2.gz PSCNVNPIWQLOKN-UHFFFAOYSA-N 2 1 299.462 3.170 20 0 CGADMP CCc1nc(NCCC[N@H+](C)C2CCCCC2)cc(C)[nH+]1 ZINC000314251201 799233619 /nfs/dbraw/zinc/23/36/19/799233619.db2.gz BSMCFEJPSVFKHK-UHFFFAOYSA-N 2 1 290.455 3.414 20 0 CGADMP CCc1nc(NCCC[N@@H+](C)C2CCCCC2)cc(C)[nH+]1 ZINC000314251201 799233622 /nfs/dbraw/zinc/23/36/22/799233622.db2.gz BSMCFEJPSVFKHK-UHFFFAOYSA-N 2 1 290.455 3.414 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+](C)C(C)(C)C[NH3+])cc1 ZINC001255757823 806737463 /nfs/dbraw/zinc/73/74/63/806737463.db2.gz AIVUOCSNJFXRFP-ZDUSSCGKSA-N 2 1 266.454 3.145 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+](C)C(C)(C)C[NH3+])cc1 ZINC001255757823 806737466 /nfs/dbraw/zinc/73/74/66/806737466.db2.gz AIVUOCSNJFXRFP-ZDUSSCGKSA-N 2 1 266.454 3.145 20 0 CGADMP c1ccc(C[N@H+](CC[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000383743398 799407525 /nfs/dbraw/zinc/40/75/25/799407525.db2.gz SQJISXNZCKOCEY-INIZCTEOSA-N 2 1 258.409 3.183 20 0 CGADMP CC1(C[N@H+]2CCC3(C2)CCCCC3)CC[NH2+]CC1 ZINC000385403409 799426068 /nfs/dbraw/zinc/42/60/68/799426068.db2.gz NTNPQLYWVVOKFO-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000386816361 799441417 /nfs/dbraw/zinc/44/14/17/799441417.db2.gz QOAUWDZUKUQQLV-JEVOJNTISA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000386816361 799441421 /nfs/dbraw/zinc/44/14/21/799441421.db2.gz QOAUWDZUKUQQLV-JEVOJNTISA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000388241484 799451782 /nfs/dbraw/zinc/45/17/82/799451782.db2.gz DVJGDZAXXVDNEO-UONOGXRCSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000388241484 799451787 /nfs/dbraw/zinc/45/17/87/799451787.db2.gz DVJGDZAXXVDNEO-UONOGXRCSA-N 2 1 266.404 3.075 20 0 CGADMP FC1(F)CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC000390339367 799470949 /nfs/dbraw/zinc/47/09/49/799470949.db2.gz FTUJGTXBUVJGSQ-UHFFFAOYSA-N 2 1 269.339 3.101 20 0 CGADMP CC[C@H]1C[C@H](C)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000399155293 799535869 /nfs/dbraw/zinc/53/58/69/799535869.db2.gz ZECKXISGYUAZRY-IXIBIKRGSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc(C[C@H](C)n2c[nH+]cc2C2CC[NH2+]CC2)cc1 ZINC001255795536 806755313 /nfs/dbraw/zinc/75/53/13/806755313.db2.gz JDFLJWQXFKRWQG-HNNXBMFYSA-N 2 1 283.419 3.462 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC000403292684 799565255 /nfs/dbraw/zinc/56/52/55/799565255.db2.gz IHKXWYKWEGXOPG-OAHLLOKOSA-N 2 1 282.378 3.226 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC000403292684 799565260 /nfs/dbraw/zinc/56/52/60/799565260.db2.gz IHKXWYKWEGXOPG-OAHLLOKOSA-N 2 1 282.378 3.226 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001255797127 806756924 /nfs/dbraw/zinc/75/69/24/806756924.db2.gz NLYZQTNUFNAVRJ-QGZVFWFLSA-N 2 1 286.463 3.344 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1OC(F)F ZINC000405353979 799583491 /nfs/dbraw/zinc/58/34/91/799583491.db2.gz PYGNAGWTTNUYEH-ZLKJLUDKSA-N 2 1 296.361 3.209 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1OC(F)F ZINC000405353971 799584133 /nfs/dbraw/zinc/58/41/33/799584133.db2.gz PYGNAGWTTNUYEH-GDLCADMTSA-N 2 1 296.361 3.209 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccccc1F ZINC001255829339 806759280 /nfs/dbraw/zinc/75/92/80/806759280.db2.gz HZFXWEBYEXHDSE-OAHLLOKOSA-N 2 1 280.431 3.468 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccccc1F ZINC001255829339 806759285 /nfs/dbraw/zinc/75/92/85/806759285.db2.gz HZFXWEBYEXHDSE-OAHLLOKOSA-N 2 1 280.431 3.468 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000469991895 799646687 /nfs/dbraw/zinc/64/66/87/799646687.db2.gz LAJIFOHJWYMRAG-WBVHZDCISA-N 2 1 288.479 3.443 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000469842857 799646755 /nfs/dbraw/zinc/64/67/55/799646755.db2.gz JNOVGRKESFJCOZ-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000469842857 799646759 /nfs/dbraw/zinc/64/67/59/799646759.db2.gz JNOVGRKESFJCOZ-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3F)C[C@@H]2C1 ZINC001255857777 806771312 /nfs/dbraw/zinc/77/13/12/806771312.db2.gz RWEBPACDPDPTHG-BHYGNILZSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3F)C[C@@H]2C1 ZINC001255857777 806771316 /nfs/dbraw/zinc/77/13/16/806771316.db2.gz RWEBPACDPDPTHG-BHYGNILZSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccccc3F)C[C@@H]2C1 ZINC001255857777 806771318 /nfs/dbraw/zinc/77/13/18/806771318.db2.gz RWEBPACDPDPTHG-BHYGNILZSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccccc3F)C[C@@H]2C1 ZINC001255857777 806771321 /nfs/dbraw/zinc/77/13/21/806771321.db2.gz RWEBPACDPDPTHG-BHYGNILZSA-N 2 1 290.426 3.030 20 0 CGADMP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687950646 799741331 /nfs/dbraw/zinc/74/13/31/799741331.db2.gz YWQASWCPPYKBCS-FZMZJTMJSA-N 2 1 264.438 3.014 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000690739717 799778453 /nfs/dbraw/zinc/77/84/53/799778453.db2.gz KURXSUBVLMUTKN-LBPRGKRZSA-N 2 1 260.406 3.072 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000693711925 799813868 /nfs/dbraw/zinc/81/38/68/799813868.db2.gz LWWRKZNRYKISQF-UHFFFAOYSA-N 2 1 261.196 3.210 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000700563436 799872789 /nfs/dbraw/zinc/87/27/89/799872789.db2.gz JMKSJKJOLJDYAA-LBPRGKRZSA-N 2 1 260.381 3.171 20 0 CGADMP CC[N@H+](Cc1cccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703798145 799929792 /nfs/dbraw/zinc/92/97/92/799929792.db2.gz ZBVSSAOAVSKNFP-AGUYFDCRSA-N 2 1 264.438 3.101 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001255940312 806789807 /nfs/dbraw/zinc/78/98/07/806789807.db2.gz WVDFRXRSOWCWTO-LBPRGKRZSA-N 2 1 270.367 3.175 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000705545532 799949915 /nfs/dbraw/zinc/94/99/15/799949915.db2.gz DRVMORIKZVMKOZ-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC001255943526 806791715 /nfs/dbraw/zinc/79/17/15/806791715.db2.gz NVTSWNXKHWHAAW-ZIAGYGMSSA-N 2 1 264.413 3.163 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C)cc(F)c1 ZINC001255942669 806791720 /nfs/dbraw/zinc/79/17/20/806791720.db2.gz AELYYVMPPXCTPY-CQSZACIVSA-N 2 1 266.404 3.344 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1C(C)(C)CC([NH3+])CC1(C)C ZINC001255945900 806792407 /nfs/dbraw/zinc/79/24/07/806792407.db2.gz PEPKFTIMEKJRPP-CQSZACIVSA-N 3 1 283.504 3.087 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC000708767101 799993258 /nfs/dbraw/zinc/99/32/58/799993258.db2.gz MXNKRGGULGKBBT-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952353 806794964 /nfs/dbraw/zinc/79/49/64/806794964.db2.gz MGWCMOVVMHCUNQ-BZSNNMDCSA-N 3 1 297.531 3.335 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@]23C[C@H]2CCCC3)CC1 ZINC000709152122 800004603 /nfs/dbraw/zinc/00/46/03/800004603.db2.gz FXHAOSDUSTWBPX-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@]12C[C@H]1CCCC2 ZINC000709243909 800005893 /nfs/dbraw/zinc/00/58/93/800005893.db2.gz IDBDPOVQVWFIHR-FQRYHQRQSA-N 2 1 262.441 3.170 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709806488 800019542 /nfs/dbraw/zinc/01/95/42/800019542.db2.gz DJELYGMQCQJXRV-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC2(CC2)CC1 ZINC000709968274 800024472 /nfs/dbraw/zinc/02/44/72/800024472.db2.gz SNDMPQREEPESCY-UHFFFAOYSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710730893 800038437 /nfs/dbraw/zinc/03/84/37/800038437.db2.gz YBXUVRQFFSRUIP-CYBMUJFWSA-N 2 1 252.377 3.338 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2ccc(C)cc2C1 ZINC001255955837 806798407 /nfs/dbraw/zinc/79/84/07/806798407.db2.gz FGNJYLMBZGANHH-INIZCTEOSA-N 2 1 274.452 3.474 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2ccc(C)cc2C1 ZINC001255955837 806798414 /nfs/dbraw/zinc/79/84/14/806798414.db2.gz FGNJYLMBZGANHH-INIZCTEOSA-N 2 1 274.452 3.474 20 0 CGADMP C[C@@H]1c2sccc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000712348635 800084057 /nfs/dbraw/zinc/08/40/57/800084057.db2.gz LYSUKOBNERBZPI-OLZOCXBDSA-N 2 1 264.438 3.057 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000718800401 800223678 /nfs/dbraw/zinc/22/36/78/800223678.db2.gz LTHRZCRGPPNQTN-CVEARBPZSA-N 2 1 270.461 3.043 20 0 CGADMP Cc1cccc(CC[N@@H+](C)C2CC[NH+](C3CC3)CC2)c1 ZINC001256079442 806814375 /nfs/dbraw/zinc/81/43/75/806814375.db2.gz KADFUXBWLHATDN-UHFFFAOYSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1cccc(CC[N@H+](C)C2CC[NH+](C3CC3)CC2)c1 ZINC001256079442 806814381 /nfs/dbraw/zinc/81/43/81/806814381.db2.gz KADFUXBWLHATDN-UHFFFAOYSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@H]1CC([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@H](C)C1 ZINC000721501287 800290405 /nfs/dbraw/zinc/29/04/05/800290405.db2.gz GQLDOCLWUUBRHZ-LBTNJELSSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@H]1CC([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@H](C)C1 ZINC000721501287 800290408 /nfs/dbraw/zinc/29/04/08/800290408.db2.gz GQLDOCLWUUBRHZ-LBTNJELSSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723670731 800336227 /nfs/dbraw/zinc/33/62/27/800336227.db2.gz JEJVRUVQTPGRQM-NWDGAFQWSA-N 2 1 252.789 3.072 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000723702225 800337799 /nfs/dbraw/zinc/33/77/99/800337799.db2.gz ZTLKQORGHQBVRA-JTQLQIEISA-N 2 1 290.304 3.015 20 0 CGADMP CSCc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000725110524 800373661 /nfs/dbraw/zinc/37/36/61/800373661.db2.gz DXKKQFQSBJXMCI-UHFFFAOYSA-N 2 1 280.481 3.370 20 0 CGADMP CSCc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000725110524 800373667 /nfs/dbraw/zinc/37/36/67/800373667.db2.gz DXKKQFQSBJXMCI-UHFFFAOYSA-N 2 1 280.481 3.370 20 0 CGADMP CCC1([NH2+]C2CC[NH+](C)CC2)CCC(F)(F)CC1 ZINC001256199616 806846632 /nfs/dbraw/zinc/84/66/32/806846632.db2.gz SLBQMPVRZINKSZ-UHFFFAOYSA-N 2 1 260.372 3.028 20 0 CGADMP CN1CCC([N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC001256208346 806850291 /nfs/dbraw/zinc/85/02/91/806850291.db2.gz GGMIXLRKWVLXCJ-QGZVFWFLSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC001256208346 806850298 /nfs/dbraw/zinc/85/02/98/806850298.db2.gz GGMIXLRKWVLXCJ-QGZVFWFLSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC([N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC001256208346 806850305 /nfs/dbraw/zinc/85/03/05/806850305.db2.gz GGMIXLRKWVLXCJ-QGZVFWFLSA-N 2 1 272.436 3.350 20 0 CGADMP C[C@H]1CC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536301 806911043 /nfs/dbraw/zinc/91/10/43/806911043.db2.gz CRLINWFVRGHIHY-UXLLHSPISA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1CC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536301 806911046 /nfs/dbraw/zinc/91/10/46/806911046.db2.gz CRLINWFVRGHIHY-UXLLHSPISA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1CC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536301 806911049 /nfs/dbraw/zinc/91/10/49/806911049.db2.gz CRLINWFVRGHIHY-UXLLHSPISA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1CC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536301 806911053 /nfs/dbraw/zinc/91/10/53/806911053.db2.gz CRLINWFVRGHIHY-UXLLHSPISA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256541687 806912763 /nfs/dbraw/zinc/91/27/63/806912763.db2.gz MPZGISDPOZMFNO-RYRKJORJSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256541687 806912768 /nfs/dbraw/zinc/91/27/68/806912768.db2.gz MPZGISDPOZMFNO-RYRKJORJSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256541687 806912774 /nfs/dbraw/zinc/91/27/74/806912774.db2.gz MPZGISDPOZMFNO-RYRKJORJSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256541687 806912776 /nfs/dbraw/zinc/91/27/76/806912776.db2.gz MPZGISDPOZMFNO-RYRKJORJSA-N 2 1 272.436 3.381 20 0 CGADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001164250237 806923533 /nfs/dbraw/zinc/92/35/33/806923533.db2.gz KUPIZZRSLKRDQJ-INIZCTEOSA-N 2 1 295.858 3.421 20 0 CGADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2(C)C ZINC001256621291 806929031 /nfs/dbraw/zinc/92/90/31/806929031.db2.gz PMTMWTJKGQCGCA-MFJMSWHPSA-N 2 1 276.468 3.272 20 0 CGADMP Cc1ccc2cc[nH+]c(N3C[C@@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001164462797 806951122 /nfs/dbraw/zinc/95/11/22/806951122.db2.gz ULFHOXJHYKEXEB-UONOGXRCSA-N 2 1 269.392 3.107 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001118197812 802536771 /nfs/dbraw/zinc/53/67/71/802536771.db2.gz CTUFMYYMIJKUTF-GLJUWKHASA-N 2 1 288.410 3.135 20 0 CGADMP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1C(F)F ZINC001119941074 802710477 /nfs/dbraw/zinc/71/04/77/802710477.db2.gz VPGRQPJKGWBFDL-GFCCVEGCSA-N 2 1 298.352 3.337 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCC(F)(F)F)C1 ZINC001119940909 802710626 /nfs/dbraw/zinc/71/06/26/802710626.db2.gz PVVSAVHJDXQIGQ-LBPRGKRZSA-N 2 1 280.378 3.429 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCC(F)(F)F)C1 ZINC001119940909 802710630 /nfs/dbraw/zinc/71/06/30/802710630.db2.gz PVVSAVHJDXQIGQ-LBPRGKRZSA-N 2 1 280.378 3.429 20 0 CGADMP CCS[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001120030683 802727672 /nfs/dbraw/zinc/72/76/72/802727672.db2.gz HBCUASLDTMQCBF-AQBKWJQSSA-N 2 1 282.497 3.266 20 0 CGADMP CC1(C)CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC001120779430 802776491 /nfs/dbraw/zinc/77/64/91/802776491.db2.gz HPGCENKCIKAJLD-UHFFFAOYSA-N 2 1 281.403 3.182 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2)C1 ZINC001120780504 802776522 /nfs/dbraw/zinc/77/65/22/802776522.db2.gz ZFKQQKAXIAUTIG-MRXNPFEDSA-N 2 1 295.430 3.348 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894855 807000468 /nfs/dbraw/zinc/00/04/68/807000468.db2.gz NFZGQSSURIQOHQ-SQWLQELKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894855 807000476 /nfs/dbraw/zinc/00/04/76/807000476.db2.gz NFZGQSSURIQOHQ-SQWLQELKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C(C)(C)C ZINC001256897231 807003444 /nfs/dbraw/zinc/00/34/44/807003444.db2.gz HJXCFDIMFISOKH-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C(C)(C)C ZINC001256897231 807003456 /nfs/dbraw/zinc/00/34/56/807003456.db2.gz HJXCFDIMFISOKH-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(N2CCCCC2)[nH+]cc1/C=C/C1CC[NH2+]CC1 ZINC001243891905 803063448 /nfs/dbraw/zinc/06/34/48/803063448.db2.gz DSGGSBRRKQSBIR-AATRIKPKSA-N 2 1 285.435 3.393 20 0 CGADMP C[N@H+]1CCCC[C@H]1c1ccc(/C=C/C2CC[NH2+]CC2)nc1 ZINC001243895004 803065409 /nfs/dbraw/zinc/06/54/09/803065409.db2.gz VBDCTVXNGLEYDC-FZMUQLTDSA-N 2 1 285.435 3.251 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)c1 ZINC001205280497 812928986 /nfs/dbraw/zinc/92/89/86/812928986.db2.gz ARNXWEZUHVUDPV-KRWDZBQOSA-N 2 1 276.424 3.015 20 0 CGADMP C[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC1(F)F ZINC001208184710 813735265 /nfs/dbraw/zinc/73/52/65/813735265.db2.gz OMJBVQFNORFCIB-CYBMUJFWSA-N 2 1 274.399 3.086 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001138404106 803919327 /nfs/dbraw/zinc/91/93/27/803919327.db2.gz ZGXJCQMFWWHERQ-UHFFFAOYSA-N 2 1 285.435 3.250 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1[nH]c2ccccc2c1C ZINC001138401842 803919443 /nfs/dbraw/zinc/91/94/43/803919443.db2.gz XDIAOTNYXVHIQO-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1[nH]c2ccccc2c1C ZINC001138401842 803919446 /nfs/dbraw/zinc/91/94/46/803919446.db2.gz XDIAOTNYXVHIQO-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001138543782 803964431 /nfs/dbraw/zinc/96/44/31/803964431.db2.gz UROOLHAYAKNRCY-AWEZNQCLSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001138543782 803964437 /nfs/dbraw/zinc/96/44/37/803964437.db2.gz UROOLHAYAKNRCY-AWEZNQCLSA-N 2 1 269.392 3.413 20 0 CGADMP CCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138547326 803964891 /nfs/dbraw/zinc/96/48/91/803964891.db2.gz KGZSGJWMBMQRCP-UHFFFAOYSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001138719599 804015568 /nfs/dbraw/zinc/01/55/68/804015568.db2.gz ABANENYTAQWFFD-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)CC[NH2+]1 ZINC001246071698 804110199 /nfs/dbraw/zinc/11/01/99/804110199.db2.gz NFALPOQHLZWUFN-UKRRQHHQSA-N 2 1 266.816 3.206 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)cc1 ZINC001246101582 804136020 /nfs/dbraw/zinc/13/60/20/804136020.db2.gz ADJVCNHNSJCROV-RLFYNMQTSA-N 2 1 274.452 3.158 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246112412 804143065 /nfs/dbraw/zinc/14/30/65/804143065.db2.gz SNUBBRWCHSMABS-QWHCGFSZSA-N 2 1 299.245 3.192 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CC(C)(C)C1 ZINC001246112700 804143145 /nfs/dbraw/zinc/14/31/45/804143145.db2.gz MFEXTIHVJLHNKN-IIAWOOMASA-N 2 1 270.436 3.273 20 0 CGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246113882 804144591 /nfs/dbraw/zinc/14/45/91/804144591.db2.gz ZYTYAWAUXNCNGH-CHWSQXEVSA-N 2 1 299.245 3.192 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001139162164 804146302 /nfs/dbraw/zinc/14/63/02/804146302.db2.gz OMAFSSFYJJQLKN-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246116930 804147712 /nfs/dbraw/zinc/14/77/12/804147712.db2.gz GRUCNWRIZHZHQD-OWCLPIDISA-N 2 1 264.457 3.467 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246117015 804148184 /nfs/dbraw/zinc/14/81/84/804148184.db2.gz YUGNVCMVRUXGKJ-KKUMJFAQSA-N 2 1 258.425 3.273 20 0 CGADMP CCCCC[C@@H](CCC)[NH2+][C@@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246126297 804154126 /nfs/dbraw/zinc/15/41/26/804154126.db2.gz IWZJXLWMPRHJCM-NVXWUHKLSA-N 2 1 298.471 3.010 20 0 CGADMP c1ccc(CC2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246125913 804154928 /nfs/dbraw/zinc/15/49/28/804154928.db2.gz IOCFNXUAOQORMS-ABHNRTSZSA-N 2 1 272.436 3.130 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246137058 804161044 /nfs/dbraw/zinc/16/10/44/804161044.db2.gz UGVBIHTUCFADHZ-XFBWCDHKSA-N 2 1 296.817 3.284 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cc21 ZINC001139207023 804161790 /nfs/dbraw/zinc/16/17/90/804161790.db2.gz PLPXBPIJCCHOOJ-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C[NH2+]1 ZINC001246156982 804172339 /nfs/dbraw/zinc/17/23/39/804172339.db2.gz FAWVFZLRZOLIQQ-JQWIXIFHSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246177293 804191130 /nfs/dbraw/zinc/19/11/30/804191130.db2.gz MNOSQJUFZRVDLL-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C[NH2+]1 ZINC001246180478 804193799 /nfs/dbraw/zinc/19/37/99/804193799.db2.gz RVQDOZJBWQBJKH-PSDLTNOISA-N 2 1 276.468 3.466 20 0 CGADMP CCCC[C@@H]1C[C@@H](NCCC[N@@H+](C)CCCC)CC[NH2+]1 ZINC001246185313 804197386 /nfs/dbraw/zinc/19/73/86/804197386.db2.gz UBZXTCNBCSBXMI-SJORKVTESA-N 3 1 283.504 3.009 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)C[NH2+]1 ZINC001246236318 804229092 /nfs/dbraw/zinc/22/90/92/804229092.db2.gz VXKSNNKKQRMOGC-KBXCAEBGSA-N 2 1 268.404 3.112 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCCCCCCCCCO)C[NH2+]1 ZINC001246271412 804249227 /nfs/dbraw/zinc/24/92/27/804249227.db2.gz ILDLCAOQCRVHDH-DLBZAZTESA-N 2 1 284.488 3.220 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC001246276213 804252562 /nfs/dbraw/zinc/25/25/62/804252562.db2.gz KSDCBGPGGUUNKE-WWGRRREGSA-N 2 1 264.388 3.397 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2F)C2CCC2)CC[NH2+]1 ZINC001246282075 804256977 /nfs/dbraw/zinc/25/69/77/804256977.db2.gz UAZPAGIAPHXYRY-MRRJBJDNSA-N 2 1 276.399 3.397 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C1(C[NH3+])CCCC1 ZINC001246287241 804260878 /nfs/dbraw/zinc/26/08/78/804260878.db2.gz NVJDMZGIAXCJJH-LBPRGKRZSA-N 2 1 266.816 3.132 20 0 CGADMP [NH3+]CC1([NH2+][C@H]2CCc3c(Cl)cccc3C2)CCCC1 ZINC001246287642 804261256 /nfs/dbraw/zinc/26/12/56/804261256.db2.gz OPJBJXMJRVHDDA-ZDUSSCGKSA-N 2 1 278.827 3.058 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC001246299980 804266562 /nfs/dbraw/zinc/26/65/62/804266562.db2.gz NSUZMYLTFPMJEL-AABGKKOBSA-N 2 1 294.442 3.482 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1F ZINC001246313300 804276080 /nfs/dbraw/zinc/27/60/80/804276080.db2.gz FZMCIUIDQFVIGD-IFUGULHKSA-N 2 1 268.351 3.146 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246319340 804279633 /nfs/dbraw/zinc/27/96/33/804279633.db2.gz VLMJDAQMQSLALY-HJOIGYKYSA-N 2 1 272.436 3.140 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001246323842 804280475 /nfs/dbraw/zinc/28/04/75/804280475.db2.gz CIDXDGHWOQQQBE-RYKRPPSOSA-N 2 1 288.435 3.107 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246339014 804292880 /nfs/dbraw/zinc/29/28/80/804292880.db2.gz BRLFUOYNYDFFNT-RWMBFGLXSA-N 2 1 280.378 3.475 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001246345384 804296580 /nfs/dbraw/zinc/29/65/80/804296580.db2.gz MMHRWVMVDMBLSG-BBRMVZONSA-N 2 1 262.441 3.143 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C(C)(C)c2ccccc2F)CC[NH2+]1 ZINC001246349693 804298243 /nfs/dbraw/zinc/29/82/43/804298243.db2.gz NRHJCPKDXMSFKG-CJNGLKHVSA-N 2 1 278.415 3.427 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2cccc(OC)c2F)C[C@@H](CC)[NH2+]1 ZINC001246355972 804302511 /nfs/dbraw/zinc/30/25/11/804302511.db2.gz RAGKIFSRTANLSG-ZIAGYGMSSA-N 2 1 294.414 3.233 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C2(c3ccccc3F)CCC2)CC[NH2+]1 ZINC001246365398 804306950 /nfs/dbraw/zinc/30/69/50/804306950.db2.gz JVAXYMWVQXSWFI-ZDUSSCGKSA-N 2 1 276.399 3.325 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453452 804335340 /nfs/dbraw/zinc/33/53/40/804335340.db2.gz OVDBIRAQNVCNCB-INIZCTEOSA-N 3 1 271.493 3.044 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC[NH2+]C(C)C ZINC001246452621 804335572 /nfs/dbraw/zinc/33/55/72/804335572.db2.gz KRLOZGSLUGDEAO-KRWDZBQOSA-N 2 1 262.441 3.231 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4ccccc4cn3)C2)CC1 ZINC001140001260 804349566 /nfs/dbraw/zinc/34/95/66/804349566.db2.gz JLNFXCZNMMAJLR-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@H]2CCCC[NH2+]C2)C(C)C)c1 ZINC001246476629 804353304 /nfs/dbraw/zinc/35/33/04/804353304.db2.gz SXDIHEVMWOAQIO-DLBZAZTESA-N 2 1 260.425 3.424 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCOC[C@H]1C(C)C ZINC001140026979 804354349 /nfs/dbraw/zinc/35/43/49/804354349.db2.gz SDZYSQKWIZCJJU-SFHVURJKSA-N 2 1 299.418 3.038 20 0 CGADMP Cc1nccn1-c1ccccc1CN1CCOC[C@H]1C(C)C ZINC001140026979 804354358 /nfs/dbraw/zinc/35/43/58/804354358.db2.gz SDZYSQKWIZCJJU-SFHVURJKSA-N 2 1 299.418 3.038 20 0 CGADMP CCCC[C@H](CC)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246484329 804355927 /nfs/dbraw/zinc/35/59/27/804355927.db2.gz WWTVEILWROLOIC-STQMWFEESA-N 2 1 262.388 3.180 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246486496 804356286 /nfs/dbraw/zinc/35/62/86/804356286.db2.gz JWXJBLXQEDQHCV-JKSUJKDBSA-N 2 1 296.405 3.232 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCc2occc2C1 ZINC001140026960 804356535 /nfs/dbraw/zinc/35/65/35/804356535.db2.gz RJQSKXXTZLSZMH-UHFFFAOYSA-N 2 1 293.370 3.332 20 0 CGADMP Cc1nccn1-c1ccccc1CN1CCc2occc2C1 ZINC001140026960 804356540 /nfs/dbraw/zinc/35/65/40/804356540.db2.gz RJQSKXXTZLSZMH-UHFFFAOYSA-N 2 1 293.370 3.332 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)CCO[C@H](C)CC ZINC001246499810 804361794 /nfs/dbraw/zinc/36/17/94/804361794.db2.gz GATJUFQNMFOEJZ-HUUCEWRRSA-N 2 1 272.477 3.467 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246518105 804371979 /nfs/dbraw/zinc/37/19/79/804371979.db2.gz DRSGGAYYJIDURC-BJWYYQGGSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246520615 804373595 /nfs/dbraw/zinc/37/35/95/804373595.db2.gz UEHMUVKHSCOSMQ-KBAYOESNSA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@H]1CC[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246522249 804376727 /nfs/dbraw/zinc/37/67/27/804376727.db2.gz JAMIYBRJKSWIAG-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246525357 804377837 /nfs/dbraw/zinc/37/78/37/804377837.db2.gz WNLBHDIJGFYWHJ-OAHLLOKOSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001246540062 804388311 /nfs/dbraw/zinc/38/83/11/804388311.db2.gz UTRIAERIDDLGMO-ZNMIVQPWSA-N 2 1 278.465 3.287 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001246540062 804388318 /nfs/dbraw/zinc/38/83/18/804388318.db2.gz UTRIAERIDDLGMO-ZNMIVQPWSA-N 2 1 278.465 3.287 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246539435 804388850 /nfs/dbraw/zinc/38/88/50/804388850.db2.gz BQHNAVACGULBGE-LEOMRAHMSA-N 2 1 296.499 3.157 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246544411 804392425 /nfs/dbraw/zinc/39/24/25/804392425.db2.gz VRWAXBWVLIHOKW-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246544411 804392431 /nfs/dbraw/zinc/39/24/31/804392431.db2.gz VRWAXBWVLIHOKW-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246545396 804393471 /nfs/dbraw/zinc/39/34/71/804393471.db2.gz KIWSSHZPSUGNIQ-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP CC1(C)CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246546612 804394675 /nfs/dbraw/zinc/39/46/75/804394675.db2.gz ARSQDSFHCDEZCC-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246547380 804395166 /nfs/dbraw/zinc/39/51/66/804395166.db2.gz HYOHQKGEZHXLOD-LSDHHAIUSA-N 2 1 256.409 3.274 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](C2CCc3ccccc3CC2)CC1 ZINC001246549186 804398552 /nfs/dbraw/zinc/39/85/52/804398552.db2.gz HOVGKEBULMVXTF-SFHVURJKSA-N 2 1 272.436 3.137 20 0 CGADMP CC1(C)CCC[N@@H+]1[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246549372 804399003 /nfs/dbraw/zinc/39/90/03/804399003.db2.gz KNAZRJGVLCGGKU-HOTGVXAUSA-N 2 1 258.409 3.354 20 0 CGADMP CC1(C)CCC[N@H+]1[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246549372 804399011 /nfs/dbraw/zinc/39/90/11/804399011.db2.gz KNAZRJGVLCGGKU-HOTGVXAUSA-N 2 1 258.409 3.354 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246551543 804400526 /nfs/dbraw/zinc/40/05/26/804400526.db2.gz ZSLIUOYJDXWHTL-SFHVURJKSA-N 2 1 284.447 3.275 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246556622 804405666 /nfs/dbraw/zinc/40/56/66/804405666.db2.gz JWSYRBBDNNDTRQ-AGIUHOORSA-N 2 1 274.399 3.117 20 0 CGADMP CC(C)OC1CCC([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC1 ZINC001246557364 804406447 /nfs/dbraw/zinc/40/64/47/804406447.db2.gz KXOCBVGCNAILEH-XNIRIUNOSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@H]1CCCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246560709 804409325 /nfs/dbraw/zinc/40/93/25/804409325.db2.gz SGMHYLAEDIGOQI-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246560358 804409499 /nfs/dbraw/zinc/40/94/99/804409499.db2.gz CXHWZQIWGISOPQ-BPLDGKMQSA-N 2 1 292.854 3.257 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246560616 804409857 /nfs/dbraw/zinc/40/98/57/804409857.db2.gz QTVFCCZEMPJDPR-HRCADAONSA-N 2 1 252.446 3.428 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246561881 804409866 /nfs/dbraw/zinc/40/98/66/804409866.db2.gz HARSHQWJZQIOTG-RRFJBIMHSA-N 2 1 258.425 3.497 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246560586 804410112 /nfs/dbraw/zinc/41/01/12/804410112.db2.gz HQWGNWZWUQLOLD-WQVCFCJDSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246560585 804410190 /nfs/dbraw/zinc/41/01/90/804410190.db2.gz HQWGNWZWUQLOLD-UHOFOFEASA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]1C[N@H+](C2CCC3(CCOCC3)CC2)CCC[C@@H]1C[NH3+] ZINC001246560399 804410335 /nfs/dbraw/zinc/41/03/35/804410335.db2.gz FYWWITANCJHWPX-JKSUJKDBSA-N 2 1 294.483 3.033 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246562033 804411944 /nfs/dbraw/zinc/41/19/44/804411944.db2.gz HONYSSMVOGMCRK-NFAWXSAZSA-N 2 1 280.843 3.330 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC(C)(C)CC2)CCC[C@H]1C[NH3+] ZINC001246567688 804414876 /nfs/dbraw/zinc/41/48/76/804414876.db2.gz MMRXEUKFMRNEIV-KGLIPLIRSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C ZINC001246571290 804419270 /nfs/dbraw/zinc/41/92/70/804419270.db2.gz IIHRSRFQHOBQCP-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@@H](C)C1 ZINC001246573035 804420353 /nfs/dbraw/zinc/42/03/53/804420353.db2.gz DWPTYVQVVXQPLQ-JJXSEGSLSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H]1CC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C[C@H](C)C1 ZINC001246578792 804424230 /nfs/dbraw/zinc/42/42/30/804424230.db2.gz CEVDKRSIEQPDSC-FMKPAKJESA-N 2 1 252.446 3.262 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246581714 804426604 /nfs/dbraw/zinc/42/66/04/804426604.db2.gz AIGSTIADUPGQOD-NVXWUHKLSA-N 2 1 290.476 3.154 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246582853 804427436 /nfs/dbraw/zinc/42/74/36/804427436.db2.gz HTKAMAFAWFVBKT-YOEHRIQHSA-N 2 1 278.415 3.208 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246585375 804427508 /nfs/dbraw/zinc/42/75/08/804427508.db2.gz JTROEPPWJKFHFC-KZNAEPCWSA-N 2 1 292.442 3.405 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246585375 804427510 /nfs/dbraw/zinc/42/75/10/804427510.db2.gz JTROEPPWJKFHFC-KZNAEPCWSA-N 2 1 292.442 3.405 20 0 CGADMP CC1(C)CCC[C@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246585223 804427649 /nfs/dbraw/zinc/42/76/49/804427649.db2.gz ZJBMABFUTBOFOX-ZFWWWQNUSA-N 2 1 256.409 3.108 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246585223 804427651 /nfs/dbraw/zinc/42/76/51/804427651.db2.gz ZJBMABFUTBOFOX-ZFWWWQNUSA-N 2 1 256.409 3.108 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)C[C@@H]1C ZINC001246588668 804431634 /nfs/dbraw/zinc/43/16/34/804431634.db2.gz CAWKGXWKOZLUDI-FXUDXRNXSA-N 2 1 252.446 3.262 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@](C)(C[NH3+])C1)C2 ZINC001246588687 804432061 /nfs/dbraw/zinc/43/20/61/804432061.db2.gz CCDYTWXGKNEWDS-IEBWSBKVSA-N 2 1 286.463 3.303 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246591722 804432946 /nfs/dbraw/zinc/43/29/46/804432946.db2.gz NPAKAPNKTWYPLI-AGIUHOORSA-N 2 1 298.833 3.469 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246590513 804434106 /nfs/dbraw/zinc/43/41/06/804434106.db2.gz UQWBABPLWKYIJL-CWRNSKLLSA-N 2 1 296.455 3.237 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246590513 804434109 /nfs/dbraw/zinc/43/41/09/804434109.db2.gz UQWBABPLWKYIJL-CWRNSKLLSA-N 2 1 296.455 3.237 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246595060 804434911 /nfs/dbraw/zinc/43/49/11/804434911.db2.gz XLCWKLBPCVKJPZ-MCIONIFRSA-N 2 1 296.455 3.366 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246596105 804436647 /nfs/dbraw/zinc/43/66/47/804436647.db2.gz ZFBMAWSTSRUKOD-PFSRBDOWSA-N 2 1 270.436 3.353 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246596105 804436653 /nfs/dbraw/zinc/43/66/53/804436653.db2.gz ZFBMAWSTSRUKOD-PFSRBDOWSA-N 2 1 270.436 3.353 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246602997 804440160 /nfs/dbraw/zinc/44/01/60/804440160.db2.gz LDLWOTLBHJULQC-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246602997 804440161 /nfs/dbraw/zinc/44/01/61/804440161.db2.gz LDLWOTLBHJULQC-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001246607290 804442085 /nfs/dbraw/zinc/44/20/85/804442085.db2.gz GJDSELYQLBZJML-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP C1C[C@]2(CCC[NH2+]C2)[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001246609145 804442857 /nfs/dbraw/zinc/44/28/57/804442857.db2.gz ZTNZAWXFRJVAHT-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP C1C[C@]2(CCC[NH2+]C2)[N@H+]1C1CCC2(CCCC2)CC1 ZINC001246609145 804442863 /nfs/dbraw/zinc/44/28/63/804442863.db2.gz ZTNZAWXFRJVAHT-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246614729 804448445 /nfs/dbraw/zinc/44/84/45/804448445.db2.gz ULHWRYVZPWVKQP-QAPCUYQASA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246614729 804448450 /nfs/dbraw/zinc/44/84/50/804448450.db2.gz ULHWRYVZPWVKQP-QAPCUYQASA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246613972 804448872 /nfs/dbraw/zinc/44/88/72/804448872.db2.gz MLUXMHMWJVAXDM-YJBOKZPZSA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246613972 804448875 /nfs/dbraw/zinc/44/88/75/804448875.db2.gz MLUXMHMWJVAXDM-YJBOKZPZSA-N 2 1 272.436 3.008 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246615278 804449649 /nfs/dbraw/zinc/44/96/49/804449649.db2.gz RSOPARLFRGWSSS-QUCCMNQESA-N 2 1 298.474 3.460 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246615278 804449653 /nfs/dbraw/zinc/44/96/53/804449653.db2.gz RSOPARLFRGWSSS-QUCCMNQESA-N 2 1 298.474 3.460 20 0 CGADMP CCCC1CCC([N@H+]2CCOCC3(CC[NH2+]CC3)C2)CC1 ZINC001246615869 804450011 /nfs/dbraw/zinc/45/00/11/804450011.db2.gz TYPRKGOOUKQAFL-UHFFFAOYSA-N 2 1 294.483 3.047 20 0 CGADMP CCC[C@@H](CC)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246616736 804452086 /nfs/dbraw/zinc/45/20/86/804452086.db2.gz BFJZZQKRELLQSN-IAGOWNOFSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246619923 804454200 /nfs/dbraw/zinc/45/42/00/804454200.db2.gz MTUNAJWKGPXHJE-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246627857 804458263 /nfs/dbraw/zinc/45/82/63/804458263.db2.gz AOZUEHCJBNRLAL-XLAORIBOSA-N 2 1 270.420 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC(C)(C)C1 ZINC001246628861 804460316 /nfs/dbraw/zinc/46/03/16/804460316.db2.gz YFNVEXQPUBOIQO-VYDXJSESSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246630569 804460745 /nfs/dbraw/zinc/46/07/45/804460745.db2.gz PIWNLVOZEBDRDS-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246628869 804460955 /nfs/dbraw/zinc/46/09/55/804460955.db2.gz FBRRQRBWYWWZLK-JYJNAYRXSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246631764 804462878 /nfs/dbraw/zinc/46/28/78/804462878.db2.gz RWTHUTNHLULPOK-GUDVDZBRSA-N 2 1 284.447 3.398 20 0 CGADMP C1C[NH2+][C@]2(C1)CCC[N@H+](C1CCCCCC1)CC2 ZINC001246633092 804463858 /nfs/dbraw/zinc/46/38/58/804463858.db2.gz JIOUGBIOOCHUFH-MRXNPFEDSA-N 2 1 250.430 3.317 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246637590 804465221 /nfs/dbraw/zinc/46/52/21/804465221.db2.gz GUKUAPUMWIEECX-HNNXBMFYSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C[C@@H]1C ZINC001246636809 804465803 /nfs/dbraw/zinc/46/58/03/804465803.db2.gz XCGNSQKMMCTBFE-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C[C@@H]1C ZINC001246636809 804465805 /nfs/dbraw/zinc/46/58/05/804465805.db2.gz XCGNSQKMMCTBFE-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246637272 804465821 /nfs/dbraw/zinc/46/58/21/804465821.db2.gz PSWPIYVGAVTWCH-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246637272 804465824 /nfs/dbraw/zinc/46/58/24/804465824.db2.gz PSWPIYVGAVTWCH-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246640428 804467116 /nfs/dbraw/zinc/46/71/16/804467116.db2.gz UAXTTWTYGKCTLA-CQSZACIVSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@H]1CC([N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)C[C@H](C)C1 ZINC001246639778 804467361 /nfs/dbraw/zinc/46/73/61/804467361.db2.gz QTJCVDQZBGWWBD-NFAWXSAZSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CC(C)(C)C1 ZINC001246641400 804468883 /nfs/dbraw/zinc/46/88/83/804468883.db2.gz YXPMJDGKUFFVMI-GJZGRUSLSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246643963 804470027 /nfs/dbraw/zinc/47/00/27/804470027.db2.gz ONMWTUFRNWVQJZ-MJGOQNOKSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246643963 804470030 /nfs/dbraw/zinc/47/00/30/804470030.db2.gz ONMWTUFRNWVQJZ-MJGOQNOKSA-N 2 1 284.447 3.070 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246644228 804472550 /nfs/dbraw/zinc/47/25/50/804472550.db2.gz XSQXSLLLHDLKGR-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246646341 804473940 /nfs/dbraw/zinc/47/39/40/804473940.db2.gz MSHPQMXNYMJLNJ-AEFFLSMTSA-N 2 1 296.499 3.029 20 0 CGADMP CCCC[C@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246646747 804474084 /nfs/dbraw/zinc/47/40/84/804474084.db2.gz QCIYPAKLNNEGJL-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CC)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246647431 804475026 /nfs/dbraw/zinc/47/50/26/804475026.db2.gz SCBZKNYCFUDVPW-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CC)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246647433 804475188 /nfs/dbraw/zinc/47/51/88/804475188.db2.gz SCBZKNYCFUDVPW-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246648816 804476976 /nfs/dbraw/zinc/47/69/76/804476976.db2.gz ZQJKJTCNYBZPGT-YOEHRIQHSA-N 2 1 276.424 3.065 20 0 CGADMP C1CC12CCC([N@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246650393 804478975 /nfs/dbraw/zinc/47/89/75/804478975.db2.gz HRJVPLNXBUFDLP-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246650604 804478984 /nfs/dbraw/zinc/47/89/84/804478984.db2.gz UWMYUBIAOWZEMZ-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC001246651619 804479268 /nfs/dbraw/zinc/47/92/68/804479268.db2.gz WSJBFEIVTRRXEI-UYSNPLJNSA-N 2 1 250.430 3.029 20 0 CGADMP C1C[C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C[C@H]2C1 ZINC001246654659 804480939 /nfs/dbraw/zinc/48/09/39/804480939.db2.gz IHGJFIWMMUMUEC-QBPKDAKJSA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC1 ZINC001246658437 804482454 /nfs/dbraw/zinc/48/24/54/804482454.db2.gz KMKCKNUTKAEAMY-IIZVFWCOSA-N 2 1 250.430 3.013 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001246660585 804483571 /nfs/dbraw/zinc/48/35/71/804483571.db2.gz VNAXQAKWLHPPQU-OEBNTDPQSA-N 2 1 290.838 3.255 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246660584 804484367 /nfs/dbraw/zinc/48/43/67/804484367.db2.gz VMROXUMCHYXIES-WCVJEAGWSA-N 2 1 252.446 3.405 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246662788 804485784 /nfs/dbraw/zinc/48/57/84/804485784.db2.gz BFMBCBIWNXRMSX-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246662788 804485786 /nfs/dbraw/zinc/48/57/86/804485786.db2.gz BFMBCBIWNXRMSX-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246664177 804486834 /nfs/dbraw/zinc/48/68/34/804486834.db2.gz FDCIRMBBDPBMJN-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246664177 804486838 /nfs/dbraw/zinc/48/68/38/804486838.db2.gz FDCIRMBBDPBMJN-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+][C@@]12C[C@@H]1CC[N@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246664293 804487017 /nfs/dbraw/zinc/48/70/17/804487017.db2.gz YGPOSJQEJUDMMP-VSZNYVQBSA-N 2 1 270.420 3.136 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1N ZINC001140718522 804495913 /nfs/dbraw/zinc/49/59/13/804495913.db2.gz JDIAXDVVOUTEBM-UHFFFAOYSA-N 2 1 283.847 3.086 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246683386 804495871 /nfs/dbraw/zinc/49/58/71/804495871.db2.gz IRVQVWOGLWPSEO-BSDSXHPESA-N 2 1 294.483 3.188 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246683387 804496327 /nfs/dbraw/zinc/49/63/27/804496327.db2.gz IRVQVWOGLWPSEO-WNRNVDISSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246688717 804497291 /nfs/dbraw/zinc/49/72/91/804497291.db2.gz HIAIOMDKRRJFCH-XHSDSOJGSA-N 2 1 270.436 3.369 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246771213 804502411 /nfs/dbraw/zinc/50/24/11/804502411.db2.gz WTEPGSWMOUXQMA-OWCLPIDISA-N 2 1 250.430 3.173 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001246773348 804504607 /nfs/dbraw/zinc/50/46/07/804504607.db2.gz BFMKTHJVDADJOS-WWDZGPRUSA-N 2 1 272.436 3.397 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246777725 804506754 /nfs/dbraw/zinc/50/67/54/804506754.db2.gz TVJIHWRNISZOIY-QZTJIDSGSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@@H](Oc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246781272 804507536 /nfs/dbraw/zinc/50/75/36/804507536.db2.gz FAUBBLLRWMDFRE-IIDMSEBBSA-N 2 1 288.435 3.059 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2CCC(CCc3ccccc3)CC2)C[NH2+]1 ZINC001246783006 804509951 /nfs/dbraw/zinc/50/99/51/804509951.db2.gz VGFLGIAPJIOOOR-LPHOPBHVSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@@H+](Cc1ccccc1F)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246787433 804511762 /nfs/dbraw/zinc/51/17/62/804511762.db2.gz CNWGREATDVXFGZ-HNNXBMFYSA-N 2 1 276.399 3.180 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246787029 804512208 /nfs/dbraw/zinc/51/22/08/804512208.db2.gz PHQDOJAKBBCDIU-DOTOQJQBSA-N 2 1 288.435 3.060 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3coc4ccccc34)C[C@@H]2C1 ZINC001140785122 804514154 /nfs/dbraw/zinc/51/41/54/804514154.db2.gz OITBDOUPXAPJAW-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3coc4ccccc34)C[C@@H]2C1 ZINC001140785122 804514157 /nfs/dbraw/zinc/51/41/57/804514157.db2.gz OITBDOUPXAPJAW-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3coc4ccccc34)C[C@@H]2C1 ZINC001140785122 804514162 /nfs/dbraw/zinc/51/41/62/804514162.db2.gz OITBDOUPXAPJAW-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3coc4ccccc34)C[C@@H]2C1 ZINC001140785122 804514166 /nfs/dbraw/zinc/51/41/66/804514166.db2.gz OITBDOUPXAPJAW-GASCZTMLSA-N 2 1 284.403 3.206 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@H]1C ZINC001246792760 804515517 /nfs/dbraw/zinc/51/55/17/804515517.db2.gz WTLHPJPBRCZKFZ-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC001246791438 804515933 /nfs/dbraw/zinc/51/59/33/804515933.db2.gz YOJOCUNGFCCIJX-XJKSGUPXSA-N 2 1 264.388 3.351 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001246791438 804515938 /nfs/dbraw/zinc/51/59/38/804515938.db2.gz YOJOCUNGFCCIJX-XJKSGUPXSA-N 2 1 264.388 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@@H]1C ZINC001246792764 804516027 /nfs/dbraw/zinc/51/60/27/804516027.db2.gz WTLHPJPBRCZKFZ-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](C1CCCC1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246796828 804519822 /nfs/dbraw/zinc/51/98/22/804519822.db2.gz MMWKVJFYZDVOGI-AEFFLSMTSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cnc3cc[nH]cc2-3)C[C@@H]1C ZINC001140801044 804520592 /nfs/dbraw/zinc/52/05/92/804520592.db2.gz AICPUQAQPWHDLW-OLZOCXBDSA-N 2 1 257.381 3.431 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc3cc[nH]cc2-3)C[C@@H]1C ZINC001140801044 804520595 /nfs/dbraw/zinc/52/05/95/804520595.db2.gz AICPUQAQPWHDLW-OLZOCXBDSA-N 2 1 257.381 3.431 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802125 804520786 /nfs/dbraw/zinc/52/07/86/804520786.db2.gz OAFYYAVHJYMKLD-UHFFFAOYSA-N 2 1 277.371 3.430 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802125 804520789 /nfs/dbraw/zinc/52/07/89/804520789.db2.gz OAFYYAVHJYMKLD-UHFFFAOYSA-N 2 1 277.371 3.430 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@H]2c2ccccc2F)C[C@@H](C)[NH2+]1 ZINC001246799477 804521379 /nfs/dbraw/zinc/52/13/79/804521379.db2.gz UUBVNUVWMQDILS-XNJGSVPQSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246800476 804522358 /nfs/dbraw/zinc/52/23/58/804522358.db2.gz DYIAWXUVHMFFRK-ZNMIVQPWSA-N 2 1 276.399 3.146 20 0 CGADMP c1ccc([C@@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246806711 804524712 /nfs/dbraw/zinc/52/47/12/804524712.db2.gz HWKUUVXHSWRWBU-WFVVYAPDSA-N 2 1 288.460 3.060 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@@H]2C(C)(C)OC)C[C@@H](CC)[NH2+]1 ZINC001246811744 804528065 /nfs/dbraw/zinc/52/80/65/804528065.db2.gz WCODAHIXYVUUGF-IIAWOOMASA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@@H]1CC([N@H+](C)Cc2ccsc2)C[C@@H](CC)[NH2+]1 ZINC001246813247 804529867 /nfs/dbraw/zinc/52/98/67/804529867.db2.gz HKWXBYUTLRNGPQ-ZIAGYGMSSA-N 2 1 266.454 3.489 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)Cc2ccsc2)C[C@@H](CC)[NH2+]1 ZINC001246813247 804529872 /nfs/dbraw/zinc/52/98/72/804529872.db2.gz HKWXBYUTLRNGPQ-ZIAGYGMSSA-N 2 1 266.454 3.489 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC001246819875 804533323 /nfs/dbraw/zinc/53/33/23/804533323.db2.gz KVWKHOKWMFQVOF-FZKCQIBNSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC001246819875 804533326 /nfs/dbraw/zinc/53/33/26/804533326.db2.gz KVWKHOKWMFQVOF-FZKCQIBNSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C)CCc2cccc(Cl)c2)CC[NH2+]1 ZINC001246824061 804536499 /nfs/dbraw/zinc/53/64/99/804536499.db2.gz OQJQVHYIUVDLFE-HOTGVXAUSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)C[C@H](C)[NH2+]1 ZINC001246831217 804540941 /nfs/dbraw/zinc/54/09/41/804540941.db2.gz BZPDRBRYJRBKGW-IARIHHJXSA-N 2 1 276.399 3.144 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1C[C@@H]3CCC[C@@H](C3)C1)C2 ZINC001246835762 804544010 /nfs/dbraw/zinc/54/40/10/804544010.db2.gz UEGXWPWPECWTQI-TWMKSMIVSA-N 2 1 262.441 3.031 20 0 CGADMP COCC[N@@H+]([C@@H](C)C[C@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC001246838622 804546475 /nfs/dbraw/zinc/54/64/75/804546475.db2.gz ZBTKWMRDIDRMNA-CVEARBPZSA-N 2 1 284.488 3.148 20 0 CGADMP COCC[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC001246838625 804546923 /nfs/dbraw/zinc/54/69/23/804546923.db2.gz ZBTKWMRDIDRMNA-JKSUJKDBSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246839685 804547505 /nfs/dbraw/zinc/54/75/05/804547505.db2.gz DNFIOJYKAPEHOD-CHWSQXEVSA-N 2 1 298.833 3.342 20 0 CGADMP CCC(CC)[N@@H+](CC)C1CCC2(CC[NH2+]C2)CC1 ZINC001246840367 804548367 /nfs/dbraw/zinc/54/83/67/804548367.db2.gz NJZCMIKFIVAWHF-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2CCC3(C[NH2+]C3)CC2)cc1 ZINC001246844655 804554046 /nfs/dbraw/zinc/55/40/46/804554046.db2.gz JWUGDCYARRGPCH-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246846620 804555610 /nfs/dbraw/zinc/55/56/10/804555610.db2.gz PMATYOKQJLOKDC-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccccn2)C2CCCCC2)CC[NH2+]1 ZINC001246848186 804557640 /nfs/dbraw/zinc/55/76/40/804557640.db2.gz XGIBJZFERSHTRG-YJBOKZPZSA-N 2 1 287.451 3.357 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246847590 804558339 /nfs/dbraw/zinc/55/83/39/804558339.db2.gz UWXOZFNSAGNTEM-IHRRRGAJSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246850617 804559827 /nfs/dbraw/zinc/55/98/27/804559827.db2.gz UXTZLFVSEQYLQP-KLAILNCOSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246851092 804560466 /nfs/dbraw/zinc/56/04/66/804560466.db2.gz YKTVOSUQFYDRNC-SMDDNHRTSA-N 2 1 296.867 3.180 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC001246851544 804562441 /nfs/dbraw/zinc/56/24/41/804562441.db2.gz KTSSUJWETJBRDL-NOLJZWGESA-N 2 1 278.827 3.270 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246861007 804565352 /nfs/dbraw/zinc/56/53/52/804565352.db2.gz IVTFSXKCEWLUPZ-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246861007 804565356 /nfs/dbraw/zinc/56/53/56/804565356.db2.gz IVTFSXKCEWLUPZ-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246862855 804567552 /nfs/dbraw/zinc/56/75/52/804567552.db2.gz DWPZNTQJJQUANX-BZSNNMDCSA-N 2 1 272.436 3.082 20 0 CGADMP C[NH2+]C1CCC([N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001246869004 804570902 /nfs/dbraw/zinc/57/09/02/804570902.db2.gz DUTXHZVKQKRVPJ-UHFFFAOYSA-N 2 1 272.436 3.310 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246869725 804571192 /nfs/dbraw/zinc/57/11/92/804571192.db2.gz IOCVGPWTVBEOHQ-SFHVURJKSA-N 2 1 295.515 3.090 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246870053 804571549 /nfs/dbraw/zinc/57/15/49/804571549.db2.gz YHXQGALQECVKBT-DOTOQJQBSA-N 2 1 258.409 3.138 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246870053 804571554 /nfs/dbraw/zinc/57/15/54/804571554.db2.gz YHXQGALQECVKBT-DOTOQJQBSA-N 2 1 258.409 3.138 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246877766 804576778 /nfs/dbraw/zinc/57/67/78/804576778.db2.gz GHKSUWGPPJWVME-WMZOPIPTSA-N 2 1 290.451 3.294 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C)CC[NH2+]C ZINC001246902248 804588533 /nfs/dbraw/zinc/58/85/33/804588533.db2.gz CDIKGPIBFKITSO-LBPRGKRZSA-N 2 1 254.805 3.160 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)CC23CC3)CC[NH2+]1 ZINC001246892763 804582919 /nfs/dbraw/zinc/58/29/19/804582919.db2.gz IRCWATGDAWXRSQ-ZNMIVQPWSA-N 2 1 250.430 3.172 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246902662 804588015 /nfs/dbraw/zinc/58/80/15/804588015.db2.gz UGUKTPPWLFSPMR-HRLGVUPISA-N 2 1 295.430 3.303 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246905239 804589489 /nfs/dbraw/zinc/58/94/89/804589489.db2.gz AWARDAZUTUBCOU-ZTFGCOKTSA-N 2 1 274.452 3.382 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC001141103011 804589522 /nfs/dbraw/zinc/58/95/22/804589522.db2.gz YTOCPDSISAZMHH-UHFFFAOYSA-N 2 1 262.441 3.368 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H](C)[NH2+][C@@H](C)C2)cc1C ZINC001246906218 804591925 /nfs/dbraw/zinc/59/19/25/804591925.db2.gz DCVWGWXSVKXCEU-GJZGRUSLSA-N 2 1 260.425 3.264 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246909255 804593454 /nfs/dbraw/zinc/59/34/54/804593454.db2.gz OHMRFKKLMHFIBP-CQSZACIVSA-N 2 1 294.389 3.319 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246910563 804594651 /nfs/dbraw/zinc/59/46/51/804594651.db2.gz UWZNZPLKFQUMEA-SCAQPMJSSA-N 2 1 260.425 3.346 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](C)CCc2cccc(F)c2)CC[NH2+]1 ZINC001246911141 804595618 /nfs/dbraw/zinc/59/56/18/804595618.db2.gz OBVBEQVHTRNUBW-IAGOWNOFSA-N 2 1 278.415 3.077 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246919770 804600388 /nfs/dbraw/zinc/60/03/88/804600388.db2.gz KQNZPHUEJAHIDZ-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246919770 804600394 /nfs/dbraw/zinc/60/03/94/804600394.db2.gz KQNZPHUEJAHIDZ-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC[C@H](CCCC)[N@H+]1C[C@H]2C[NH2+][C@@H]2C1 ZINC001246922028 804602527 /nfs/dbraw/zinc/60/25/27/804602527.db2.gz UGSNKGHPUWIAMV-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CCOCC[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924881 804604453 /nfs/dbraw/zinc/60/44/53/804604453.db2.gz NIEHVCXPTULHGH-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP CCOCC[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924881 804604459 /nfs/dbraw/zinc/60/44/59/804604459.db2.gz NIEHVCXPTULHGH-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001246933672 804606800 /nfs/dbraw/zinc/60/68/00/804606800.db2.gz AIMNKRKHWMQCJC-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP CCSC[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246940339 804610852 /nfs/dbraw/zinc/61/08/52/804610852.db2.gz WIYOHRXXFFDCSA-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP CCOCC[N@@H+]([C@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001246951314 804617001 /nfs/dbraw/zinc/61/70/01/804617001.db2.gz TZWSHYXXQOESIV-MRXNPFEDSA-N 2 1 282.472 3.212 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]12 ZINC001246972025 804622518 /nfs/dbraw/zinc/62/25/18/804622518.db2.gz CEWDWIDFLWDXHC-KMMPOOCJSA-N 2 1 298.474 3.457 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246977047 804624286 /nfs/dbraw/zinc/62/42/86/804624286.db2.gz RPUZDMVYSISEQK-ZJIFWQFVSA-N 2 1 252.446 3.260 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2c(F)cccc2C1 ZINC001246976485 804624849 /nfs/dbraw/zinc/62/48/49/804624849.db2.gz QRPOCFHSDXKGOK-GDBMZVCRSA-N 2 1 290.426 3.005 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCc2ccccc2CC1 ZINC001246979633 804626964 /nfs/dbraw/zinc/62/69/64/804626964.db2.gz ZZVUPJNNBRZLBM-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984073 804628810 /nfs/dbraw/zinc/62/88/10/804628810.db2.gz HJOKTTYXBSPUJC-GOSISDBHSA-N 2 1 297.531 3.207 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984073 804628814 /nfs/dbraw/zinc/62/88/14/804628814.db2.gz HJOKTTYXBSPUJC-GOSISDBHSA-N 2 1 297.531 3.207 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246991378 804632030 /nfs/dbraw/zinc/63/20/30/804632030.db2.gz XCMWQZSRYWPNGC-IRXDYDNUSA-N 2 1 297.531 3.063 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246991378 804632034 /nfs/dbraw/zinc/63/20/34/804632034.db2.gz XCMWQZSRYWPNGC-IRXDYDNUSA-N 2 1 297.531 3.063 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001246997294 804633438 /nfs/dbraw/zinc/63/34/38/804633438.db2.gz LVLRVZUEIOCDOF-KDOFPFPSSA-N 2 1 290.426 3.104 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001247002807 804635262 /nfs/dbraw/zinc/63/52/62/804635262.db2.gz LKZUPYRNLDMMJY-QAETUUGQSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247005611 804637705 /nfs/dbraw/zinc/63/77/05/804637705.db2.gz QCTRUGWAZHIONV-HNNXBMFYSA-N 2 1 272.436 3.312 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1coc2ccc(F)cc12 ZINC001141856801 804675546 /nfs/dbraw/zinc/67/55/46/804675546.db2.gz RVAVZHYZRYGYNI-UHFFFAOYSA-N 2 1 287.338 3.291 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(C)c1F ZINC001143378228 804842326 /nfs/dbraw/zinc/84/23/26/804842326.db2.gz KTTIXACHDAVLKY-UHFFFAOYSA-N 2 1 278.415 3.216 20 0 CGADMP COc1c(F)cccc1C[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001143534459 804862858 /nfs/dbraw/zinc/86/28/58/804862858.db2.gz RRRZNQBEZKJILS-UHFFFAOYSA-N 2 1 294.414 3.139 20 0 CGADMP COc1c(F)cccc1CN(C(C)C)C1CC[NH+](C)CC1 ZINC001143534459 804862864 /nfs/dbraw/zinc/86/28/64/804862864.db2.gz RRRZNQBEZKJILS-UHFFFAOYSA-N 2 1 294.414 3.139 20 0 CGADMP c1cc(N2CCC([N@H+]3CCC34CCCCC4)CC2)cc[nH+]1 ZINC001256857870 806992346 /nfs/dbraw/zinc/99/23/46/806992346.db2.gz XZPBTOIKBVNPJQ-UHFFFAOYSA-N 2 1 285.435 3.459 20 0 CGADMP CC(C)C[NH+](CC(C)C)C1CC[NH+](C(C)C)CC1 ZINC001257213286 807062773 /nfs/dbraw/zinc/06/27/73/807062773.db2.gz KFMMAGYLMSTUHF-UHFFFAOYSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](C)C(F)(F)CC2)CC1 ZINC001257214834 807063326 /nfs/dbraw/zinc/06/33/26/807063326.db2.gz MWNCBVKGNVMIFH-CYBMUJFWSA-N 2 1 274.399 3.226 20 0 CGADMP CCC[C@@H](CC)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001257260068 807076013 /nfs/dbraw/zinc/07/60/13/807076013.db2.gz QLGUQECDHVIAJS-CQSZACIVSA-N 2 1 292.471 3.120 20 0 CGADMP CCC[C@@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001257308192 807098854 /nfs/dbraw/zinc/09/88/54/807098854.db2.gz KNNLAVJFCPSCMV-CQSZACIVSA-N 2 1 261.413 3.137 20 0 CGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001257331510 807112071 /nfs/dbraw/zinc/11/20/71/807112071.db2.gz JLCKACKONQZLDT-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001257331510 807112074 /nfs/dbraw/zinc/11/20/74/807112074.db2.gz JLCKACKONQZLDT-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cc[nH+]c(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001167160225 807162599 /nfs/dbraw/zinc/16/25/99/807162599.db2.gz UYUYOCIPRUBDBF-UHFFFAOYSA-N 2 1 293.414 3.031 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCCCC2)CC1 ZINC001257453117 807164628 /nfs/dbraw/zinc/16/46/28/807164628.db2.gz CKTTZCGYWMNONB-RZDIXWSQSA-N 2 1 287.451 3.486 20 0 CGADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC001257457671 807166413 /nfs/dbraw/zinc/16/64/13/807166413.db2.gz KDOFQKXSBWCZEM-INIZCTEOSA-N 2 1 294.483 3.331 20 0 CGADMP Cc1ccc(C)c(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001167752401 807241524 /nfs/dbraw/zinc/24/15/24/807241524.db2.gz VBBQMLBKLIXFPE-HNNXBMFYSA-N 2 1 261.413 3.375 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001167824258 807256216 /nfs/dbraw/zinc/25/62/16/807256216.db2.gz CWKAFBPUFXLJLR-IAGOWNOFSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2cccc2[C@@H]1C ZINC001167833515 807257851 /nfs/dbraw/zinc/25/78/51/807257851.db2.gz BZSNQZFXMIARBU-CVEARBPZSA-N 2 1 277.456 3.375 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC23CCCC3)CC1 ZINC001258013617 807267192 /nfs/dbraw/zinc/26/71/92/807267192.db2.gz UOVCVPZBOYUZLP-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167893310 807268778 /nfs/dbraw/zinc/26/87/78/807268778.db2.gz FVBOIXITJYGMNX-OKYOBFRVSA-N 2 1 284.447 3.287 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCC1 ZINC001167977459 807290067 /nfs/dbraw/zinc/29/00/67/807290067.db2.gz CNRVLAVSBRHIHZ-FCLXEUQJSA-N 2 1 262.441 3.170 20 0 CGADMP C[C@]1(F)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1F ZINC001167985125 807290161 /nfs/dbraw/zinc/29/01/61/807290161.db2.gz VYWKCUFJWXWGDV-ALILYOIUSA-N 2 1 298.421 3.164 20 0 CGADMP CC[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981701 807291408 /nfs/dbraw/zinc/29/14/08/807291408.db2.gz FQZZVBCVGZXBJU-XYPWUTKMSA-N 2 1 250.430 3.122 20 0 CGADMP CC[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981701 807291413 /nfs/dbraw/zinc/29/14/13/807291413.db2.gz FQZZVBCVGZXBJU-XYPWUTKMSA-N 2 1 250.430 3.122 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC3(C1)CCCC3)C2 ZINC001167987951 807292754 /nfs/dbraw/zinc/29/27/54/807292754.db2.gz NUUNWQGXLGXUJE-SJPCQFCGSA-N 2 1 274.452 3.268 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001168152333 807327145 /nfs/dbraw/zinc/32/71/45/807327145.db2.gz PUMGQPLAARBIEN-VDNDLQMASA-N 2 1 292.854 3.486 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001258182151 807346243 /nfs/dbraw/zinc/34/62/43/807346243.db2.gz WTHYBUXNUUGAGT-HOCLYGCPSA-N 2 1 276.424 3.065 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001258182151 807346251 /nfs/dbraw/zinc/34/62/51/807346251.db2.gz WTHYBUXNUUGAGT-HOCLYGCPSA-N 2 1 276.424 3.065 20 0 CGADMP CSCC[C@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001258204300 807362725 /nfs/dbraw/zinc/36/27/25/807362725.db2.gz SAHZLCDWLVSAIY-AWEZNQCLSA-N 2 1 293.480 3.090 20 0 CGADMP CSCC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258210024 807366561 /nfs/dbraw/zinc/36/65/61/807366561.db2.gz YQSMHKKEEIABNG-QEJZJMRPSA-N 2 1 270.486 3.110 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)C2CCCCCCC2)CC1 ZINC001258236365 807382199 /nfs/dbraw/zinc/38/21/99/807382199.db2.gz UGWBJXPKINNLOT-KOMQPUFPSA-N 2 1 280.456 3.070 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ncccc1C ZINC001168356358 807392805 /nfs/dbraw/zinc/39/28/05/807392805.db2.gz QHNNTGJKUMFFQI-KRWDZBQOSA-N 2 1 287.451 3.305 20 0 CGADMP c1cncc([C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168373866 807397547 /nfs/dbraw/zinc/39/75/47/807397547.db2.gz WERJRFROKCEORW-GOSISDBHSA-N 2 1 285.435 3.093 20 0 CGADMP c1cncc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168373866 807397553 /nfs/dbraw/zinc/39/75/53/807397553.db2.gz WERJRFROKCEORW-GOSISDBHSA-N 2 1 285.435 3.093 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258321724 807409234 /nfs/dbraw/zinc/40/92/34/807409234.db2.gz PGUBVYOURUQRRU-YIYPIFLZSA-N 2 1 270.486 3.121 20 0 CGADMP COC(=[NH2+])c1cccc(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001168549774 807444242 /nfs/dbraw/zinc/44/42/42/807444242.db2.gz VNCQECKVRYVPMJ-CQSZACIVSA-N 2 1 295.386 3.242 20 0 CGADMP CCCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258433699 807447973 /nfs/dbraw/zinc/44/79/73/807447973.db2.gz HPDUTICRWRWLOT-ZWKOTPCHSA-N 2 1 296.499 3.436 20 0 CGADMP CCCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258433699 807447978 /nfs/dbraw/zinc/44/79/78/807447978.db2.gz HPDUTICRWRWLOT-ZWKOTPCHSA-N 2 1 296.499 3.436 20 0 CGADMP CCCCC[C@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258434934 807449640 /nfs/dbraw/zinc/44/96/40/807449640.db2.gz RXYJLOOBFAJDAL-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258444001 807454808 /nfs/dbraw/zinc/45/48/08/807454808.db2.gz QPMBVXSFVRHKKN-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001258599403 807498132 /nfs/dbraw/zinc/49/81/32/807498132.db2.gz ADOWDVCHXGMQPB-LSDHHAIUSA-N 2 1 252.446 3.406 20 0 CGADMP C[NH+](C)CC(C)(C)CNc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001168769621 807509090 /nfs/dbraw/zinc/50/90/90/807509090.db2.gz SKBMAPTVNNOUNO-INIZCTEOSA-N 2 1 289.467 3.105 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258661014 807529452 /nfs/dbraw/zinc/52/94/52/807529452.db2.gz MUZPAQUZDZHLBM-OTWHNJEPSA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258661014 807529456 /nfs/dbraw/zinc/52/94/56/807529456.db2.gz MUZPAQUZDZHLBM-OTWHNJEPSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258694051 807549672 /nfs/dbraw/zinc/54/96/72/807549672.db2.gz LFENXKIDYPMABJ-ZFWWWQNUSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258694051 807549675 /nfs/dbraw/zinc/54/96/75/807549675.db2.gz LFENXKIDYPMABJ-ZFWWWQNUSA-N 2 1 252.446 3.227 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001169049508 807560526 /nfs/dbraw/zinc/56/05/26/807560526.db2.gz ITHYCYLNAKCPOJ-ZWKOTPCHSA-N 2 1 274.452 3.185 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099122 807576981 /nfs/dbraw/zinc/57/69/81/807576981.db2.gz NTUBXTJEQAXBLC-NNZMDNLPSA-N 2 1 272.436 3.354 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CCC(F)(F)CC1)C2 ZINC001169108525 807578879 /nfs/dbraw/zinc/57/88/79/807578879.db2.gz APWMVBTXYJHPFJ-QKDCVEJESA-N 2 1 286.410 3.417 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1cccc3ccccc31)C2 ZINC001169110158 807580698 /nfs/dbraw/zinc/58/06/98/807580698.db2.gz KTNYWXPQJLWGTB-PHZGNYQRSA-N 2 1 293.414 3.380 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169114064 807580854 /nfs/dbraw/zinc/58/08/54/807580854.db2.gz WBOYJLOFCXIZEY-NXOAAHMSSA-N 2 1 273.424 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1cccc3ccccc31)C2 ZINC001169110157 807581159 /nfs/dbraw/zinc/58/11/59/807581159.db2.gz KTNYWXPQJLWGTB-MUJYYYPQSA-N 2 1 293.414 3.380 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C2 ZINC001169118049 807583161 /nfs/dbraw/zinc/58/31/61/807583161.db2.gz CKWPPPDQNXEKJT-FQUUOJAGSA-N 2 1 272.383 3.027 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1cccc(Cl)c1 ZINC001258739377 807584859 /nfs/dbraw/zinc/58/48/59/807584859.db2.gz XUCBVRUMMDZFLP-CYBMUJFWSA-N 2 1 268.832 3.330 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139993 807589092 /nfs/dbraw/zinc/58/90/92/807589092.db2.gz HEGHAWCFCYIABK-BCDXTJNWSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCCc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139993 807589098 /nfs/dbraw/zinc/58/90/98/807589098.db2.gz HEGHAWCFCYIABK-BCDXTJNWSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCCc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139993 807589102 /nfs/dbraw/zinc/58/91/02/807589102.db2.gz HEGHAWCFCYIABK-BCDXTJNWSA-N 2 1 272.436 3.176 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC=C(c3ccccc3)CC1)C2 ZINC001169143590 807590818 /nfs/dbraw/zinc/59/08/18/807590818.db2.gz GJKNWVKKPLYTED-REPLKXPHSA-N 2 1 282.431 3.401 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC001169143590 807590824 /nfs/dbraw/zinc/59/08/24/807590824.db2.gz GJKNWVKKPLYTED-REPLKXPHSA-N 2 1 282.431 3.401 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC001169143590 807590829 /nfs/dbraw/zinc/59/08/29/807590829.db2.gz GJKNWVKKPLYTED-REPLKXPHSA-N 2 1 282.431 3.401 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](c2cncc(C)c2)C2CC2)CC1 ZINC001258771772 807605062 /nfs/dbraw/zinc/60/50/62/807605062.db2.gz UAUHGQSQUIILQV-GOSISDBHSA-N 2 1 287.451 3.305 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001169267956 807619049 /nfs/dbraw/zinc/61/90/49/807619049.db2.gz CZLRFBIJVAJBPT-SFHVURJKSA-N 2 1 290.426 3.317 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001169267956 807619053 /nfs/dbraw/zinc/61/90/53/807619053.db2.gz CZLRFBIJVAJBPT-SFHVURJKSA-N 2 1 290.426 3.317 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC001169266200 807619225 /nfs/dbraw/zinc/61/92/25/807619225.db2.gz UJQIQRCHOAFOGL-GOSISDBHSA-N 2 1 288.435 3.316 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC001169266200 807619228 /nfs/dbraw/zinc/61/92/28/807619228.db2.gz UJQIQRCHOAFOGL-GOSISDBHSA-N 2 1 288.435 3.316 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258839123 807652780 /nfs/dbraw/zinc/65/27/80/807652780.db2.gz QVUKIFQLVANTAI-IRXDYDNUSA-N 2 1 260.425 3.082 20 0 CGADMP CCC[NH+](CCC)CC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258897635 807667203 /nfs/dbraw/zinc/66/72/03/807667203.db2.gz ALHQVVRSAGUZOK-QGZVFWFLSA-N 3 1 285.520 3.209 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC001258897500 807667593 /nfs/dbraw/zinc/66/75/93/807667593.db2.gz LMNZGXXOPQVQFR-QGZVFWFLSA-N 3 1 285.520 3.205 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258898732 807668777 /nfs/dbraw/zinc/66/87/77/807668777.db2.gz QTMCTQJRFFENIU-KRWDZBQOSA-N 3 1 285.520 3.209 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001258899757 807668999 /nfs/dbraw/zinc/66/89/99/807668999.db2.gz QIDPYKYWFZTABG-QZTJIDSGSA-N 3 1 297.531 3.351 20 0 CGADMP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)n(C2CC2)c1 ZINC001261255137 807721862 /nfs/dbraw/zinc/72/18/62/807721862.db2.gz NYSDZLMTCLDYLG-UHFFFAOYSA-N 2 1 287.451 3.320 20 0 CGADMP C[C@@H]([NH2+]CCc1c(F)cccc1Cl)c1c[nH+]ccc1N ZINC001261422755 807741810 /nfs/dbraw/zinc/74/18/10/807741810.db2.gz FIVRCTIZVVSVIR-SNVBAGLBSA-N 2 1 293.773 3.180 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001170117538 807763957 /nfs/dbraw/zinc/76/39/57/807763957.db2.gz LQDISOFJCHSXKK-SOUVJXGZSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001170117538 807763961 /nfs/dbraw/zinc/76/39/61/807763961.db2.gz LQDISOFJCHSXKK-SOUVJXGZSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001261836580 807792763 /nfs/dbraw/zinc/79/27/63/807792763.db2.gz GZOACQSYZJZZBD-WMLDXEAASA-N 2 1 290.426 3.393 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171018260 807961331 /nfs/dbraw/zinc/96/13/31/807961331.db2.gz QIXRVIAXJHYLCM-GJZGRUSLSA-N 2 1 292.854 3.271 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171019053 807962279 /nfs/dbraw/zinc/96/22/79/807962279.db2.gz VNZUEVPSFJSACO-HNNXBMFYSA-N 2 1 292.854 3.271 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171032878 807966875 /nfs/dbraw/zinc/96/68/75/807966875.db2.gz IQZOSVNPUVTKNQ-ZDUSSCGKSA-N 2 1 289.810 3.158 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171116014 807988571 /nfs/dbraw/zinc/98/85/71/807988571.db2.gz JAENXYXKFWDSFF-OAHLLOKOSA-N 2 1 289.810 3.158 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH+]1CCC([N@@H+](C)C3CC3)CC1)C2 ZINC001171575711 808102880 /nfs/dbraw/zinc/10/28/80/808102880.db2.gz XOPDJWFWGMAWTM-LJQANCHMSA-N 2 1 298.474 3.411 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC3(C2)CCOCC3)CC1(C)C ZINC001171636520 808109093 /nfs/dbraw/zinc/10/90/93/808109093.db2.gz HCHMVPCQTZUFTD-UHFFFAOYSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001171680024 808121431 /nfs/dbraw/zinc/12/14/31/808121431.db2.gz OIOYIWDFLVPVOX-MJGOQNOKSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001171680024 808121436 /nfs/dbraw/zinc/12/14/36/808121436.db2.gz OIOYIWDFLVPVOX-MJGOQNOKSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1csc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100927 808171796 /nfs/dbraw/zinc/17/17/96/808171796.db2.gz UOCLAVBTQNAGIJ-BTTYYORXSA-N 2 1 264.438 3.161 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C)CCCC1)C2 ZINC001172101453 808171926 /nfs/dbraw/zinc/17/19/26/808171926.db2.gz YKDNZJNJVHRYJN-QKDCVEJESA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172101442 808172083 /nfs/dbraw/zinc/17/20/83/808172083.db2.gz YGQNKJNEAYHSLZ-QCODTGAPSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172101442 808172087 /nfs/dbraw/zinc/17/20/87/808172087.db2.gz YGQNKJNEAYHSLZ-QCODTGAPSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172099975 808172471 /nfs/dbraw/zinc/17/24/71/808172471.db2.gz LEJHAIAPFCOURR-OWLYRPNTSA-N 2 1 272.436 3.395 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C2 ZINC001172102139 808172885 /nfs/dbraw/zinc/17/28/85/808172885.db2.gz KCUUZXNWYHYELU-XYYAHUGASA-N 2 1 298.352 3.209 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(O)c1 ZINC001172102426 808174269 /nfs/dbraw/zinc/17/42/69/808174269.db2.gz MTJGTZPNWAKPLB-MIGQKNRLSA-N 2 1 274.408 3.058 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(O)c1 ZINC001172102426 808174273 /nfs/dbraw/zinc/17/42/73/808174273.db2.gz MTJGTZPNWAKPLB-MIGQKNRLSA-N 2 1 274.408 3.058 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107173 808176015 /nfs/dbraw/zinc/17/60/15/808176015.db2.gz UCGJGUXEKAWOCM-NPJQDHAYSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107173 808176017 /nfs/dbraw/zinc/17/60/17/808176017.db2.gz UCGJGUXEKAWOCM-NPJQDHAYSA-N 2 1 252.446 3.416 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cnc1Cl ZINC001172106487 808176480 /nfs/dbraw/zinc/17/64/80/808176480.db2.gz PFLSRSQEEKXYAL-QKDCVEJESA-N 2 1 293.842 3.148 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172122336 808183407 /nfs/dbraw/zinc/18/34/07/808183407.db2.gz PEKTYXJPJGCNRD-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172122336 808183410 /nfs/dbraw/zinc/18/34/10/808183410.db2.gz PEKTYXJPJGCNRD-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172122336 808183412 /nfs/dbraw/zinc/18/34/12/808183412.db2.gz PEKTYXJPJGCNRD-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172122336 808183415 /nfs/dbraw/zinc/18/34/15/808183415.db2.gz PEKTYXJPJGCNRD-PIIMJCKOSA-N 2 1 272.436 3.442 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(F)(F)C(C)(C)C1)C2 ZINC001172120833 808184321 /nfs/dbraw/zinc/18/43/21/808184321.db2.gz NHGLHXPNCQLTFT-WDNDVIMCSA-N 2 1 286.410 3.369 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(F)(F)C(C)(C)C1)C2 ZINC001172120833 808184323 /nfs/dbraw/zinc/18/43/23/808184323.db2.gz NHGLHXPNCQLTFT-WDNDVIMCSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC(F)(F)C(C)(C)C1)C2 ZINC001172120833 808184326 /nfs/dbraw/zinc/18/43/26/808184326.db2.gz NHGLHXPNCQLTFT-WDNDVIMCSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC(F)(F)C(C)(C)C1)C2 ZINC001172120833 808184328 /nfs/dbraw/zinc/18/43/28/808184328.db2.gz NHGLHXPNCQLTFT-WDNDVIMCSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CSc2ccccc2C1 ZINC001172189094 808192541 /nfs/dbraw/zinc/19/25/41/808192541.db2.gz ZNZFHDUGJQHPPA-PMPSAXMXSA-N 2 1 290.476 3.166 20 0 CGADMP CCC[C@@H]1CCCC[N@@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172255590 808210141 /nfs/dbraw/zinc/21/01/41/808210141.db2.gz WUPQVNZUMQSSDH-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172255590 808210148 /nfs/dbraw/zinc/21/01/48/808210148.db2.gz WUPQVNZUMQSSDH-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP CC(C)OCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172432448 808310148 /nfs/dbraw/zinc/31/01/48/808310148.db2.gz AZZRFPCGQSPVIQ-HOTGVXAUSA-N 2 1 270.461 3.044 20 0 CGADMP CC(C)COCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172466456 808335652 /nfs/dbraw/zinc/33/56/52/808335652.db2.gz FFFFGRNDUUVBBF-BRWVUGGUSA-N 2 1 284.488 3.418 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)CCOCC(C)C ZINC001172482430 808344870 /nfs/dbraw/zinc/34/48/70/808344870.db2.gz YSBDBJPVRMYFGG-MRXNPFEDSA-N 2 1 272.477 3.101 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C2CCC3(CCOCC3)CC2)CC1 ZINC001173050334 808500899 /nfs/dbraw/zinc/50/08/99/808500899.db2.gz WLIPVQWMBSGZKB-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C2CCC3(CCOCC3)CC2)CC1 ZINC001173050334 808500902 /nfs/dbraw/zinc/50/09/02/808500902.db2.gz WLIPVQWMBSGZKB-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CCCOC1CCC([N@@H+](CCC)CCC[NH+](C)C)CC1 ZINC001173101056 808509335 /nfs/dbraw/zinc/50/93/35/808509335.db2.gz FRBMJLNXWJQUFN-UHFFFAOYSA-N 2 1 284.488 3.388 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](OC)CC2)CC1 ZINC001173112740 808513114 /nfs/dbraw/zinc/51/31/14/808513114.db2.gz AQFBXIXRFZGKIC-JCYILVPMSA-N 2 1 282.472 3.140 20 0 CGADMP CCSC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001173311559 808605959 /nfs/dbraw/zinc/60/59/59/808605959.db2.gz MOJJGEDJZHIXAM-HRCADAONSA-N 2 1 284.513 3.467 20 0 CGADMP CCSC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001173311559 808605965 /nfs/dbraw/zinc/60/59/65/808605965.db2.gz MOJJGEDJZHIXAM-HRCADAONSA-N 2 1 284.513 3.467 20 0 CGADMP CCSC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001173311559 808605970 /nfs/dbraw/zinc/60/59/70/808605970.db2.gz MOJJGEDJZHIXAM-HRCADAONSA-N 2 1 284.513 3.467 20 0 CGADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173338770 808618907 /nfs/dbraw/zinc/61/89/07/808618907.db2.gz JXSBWYALICHMPX-CQSZACIVSA-N 2 1 261.413 3.450 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001173543941 808646535 /nfs/dbraw/zinc/64/65/35/808646535.db2.gz OMZPJBWLEFZMGX-ZYHUDNBSSA-N 2 1 287.234 3.348 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001173543941 808646537 /nfs/dbraw/zinc/64/65/37/808646537.db2.gz OMZPJBWLEFZMGX-ZYHUDNBSSA-N 2 1 287.234 3.348 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1(C)CCCCC1)C2 ZINC001274905567 808892645 /nfs/dbraw/zinc/89/26/45/808892645.db2.gz GTJZJKLAVLSYKJ-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1(C)CCCCC1)C2 ZINC001274905567 808892650 /nfs/dbraw/zinc/89/26/50/808892650.db2.gz GTJZJKLAVLSYKJ-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1(C)CCCCC1)C2 ZINC001274905567 808892657 /nfs/dbraw/zinc/89/26/57/808892657.db2.gz GTJZJKLAVLSYKJ-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275074655 808904758 /nfs/dbraw/zinc/90/47/58/808904758.db2.gz UMPILYCNYNFAKL-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275074655 808904760 /nfs/dbraw/zinc/90/47/60/808904760.db2.gz UMPILYCNYNFAKL-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275074655 808904764 /nfs/dbraw/zinc/90/47/64/808904764.db2.gz UMPILYCNYNFAKL-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1nc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)sc1C ZINC001275080799 808904811 /nfs/dbraw/zinc/90/48/11/808904811.db2.gz IZJGXCIKLIAWEE-UHFFFAOYSA-N 2 1 293.480 3.068 20 0 CGADMP CCCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275117889 808913110 /nfs/dbraw/zinc/91/31/10/808913110.db2.gz OCLCVKILFWLLBE-UHFFFAOYSA-N 2 1 289.467 3.493 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(Cl)c3)C[C@H]2CC1 ZINC001275302453 808927205 /nfs/dbraw/zinc/92/72/05/808927205.db2.gz BYZAAIALDGMSPH-GASCZTMLSA-N 2 1 278.827 3.114 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]2CC1 ZINC001275302453 808927212 /nfs/dbraw/zinc/92/72/12/808927212.db2.gz BYZAAIALDGMSPH-GASCZTMLSA-N 2 1 278.827 3.114 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]2CC1 ZINC001275302453 808927218 /nfs/dbraw/zinc/92/72/18/808927218.db2.gz BYZAAIALDGMSPH-GASCZTMLSA-N 2 1 278.827 3.114 20 0 CGADMP Cc1ccc2[nH]cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC001276055274 808986716 /nfs/dbraw/zinc/98/67/16/808986716.db2.gz QROYAEPJUFHSJX-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c2c1 ZINC001276055274 808986718 /nfs/dbraw/zinc/98/67/18/808986718.db2.gz QROYAEPJUFHSJX-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c2c1 ZINC001276055274 808986721 /nfs/dbraw/zinc/98/67/21/808986721.db2.gz QROYAEPJUFHSJX-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cc(F)ccc1CN1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276119796 808988701 /nfs/dbraw/zinc/98/87/01/808988701.db2.gz DUAXSPZMMIDMMU-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276119796 808988705 /nfs/dbraw/zinc/98/87/05/808988705.db2.gz DUAXSPZMMIDMMU-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276119796 808988719 /nfs/dbraw/zinc/98/87/19/808988719.db2.gz DUAXSPZMMIDMMU-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)s3)C[C@H]2CC1 ZINC001276161149 808991274 /nfs/dbraw/zinc/99/12/74/808991274.db2.gz FCZZRWXHMZOBTI-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]2CC1 ZINC001276161149 808991281 /nfs/dbraw/zinc/99/12/81/808991281.db2.gz FCZZRWXHMZOBTI-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]2CC1 ZINC001276161149 808991284 /nfs/dbraw/zinc/99/12/84/808991284.db2.gz FCZZRWXHMZOBTI-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1C ZINC001276228585 808994585 /nfs/dbraw/zinc/99/45/85/808994585.db2.gz ZHYFNNMDGUGLNB-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1C ZINC001276228585 808994590 /nfs/dbraw/zinc/99/45/90/808994590.db2.gz ZHYFNNMDGUGLNB-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001276232171 808994881 /nfs/dbraw/zinc/99/48/81/808994881.db2.gz CCLQYZNDRIGZOL-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001276232171 808994886 /nfs/dbraw/zinc/99/48/86/808994886.db2.gz CCLQYZNDRIGZOL-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001276232171 808994889 /nfs/dbraw/zinc/99/48/89/808994889.db2.gz CCLQYZNDRIGZOL-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1ccc(CCC[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)o1 ZINC001276446197 809009551 /nfs/dbraw/zinc/00/95/51/809009551.db2.gz SLVBDLCXMCVSIG-SFHVURJKSA-N 2 1 290.451 3.328 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)o1 ZINC001276446197 809009557 /nfs/dbraw/zinc/00/95/57/809009557.db2.gz SLVBDLCXMCVSIG-SFHVURJKSA-N 2 1 290.451 3.328 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)o1 ZINC001276446197 809009566 /nfs/dbraw/zinc/00/95/66/809009566.db2.gz SLVBDLCXMCVSIG-SFHVURJKSA-N 2 1 290.451 3.328 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001276472274 809011893 /nfs/dbraw/zinc/01/18/93/809011893.db2.gz LJHCGFMQHYUWRJ-KSZLIROESA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001276472274 809011898 /nfs/dbraw/zinc/01/18/98/809011898.db2.gz LJHCGFMQHYUWRJ-KSZLIROESA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001276472274 809011903 /nfs/dbraw/zinc/01/19/03/809011903.db2.gz LJHCGFMQHYUWRJ-KSZLIROESA-N 2 1 276.468 3.397 20 0 CGADMP Cc1ccc2[nH]c(CN3CCC[C@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001276597093 809019214 /nfs/dbraw/zinc/01/92/14/809019214.db2.gz GCNDGGVKOSUXER-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC001276597093 809019221 /nfs/dbraw/zinc/01/92/21/809019221.db2.gz GCNDGGVKOSUXER-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]c(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC001276597093 809019229 /nfs/dbraw/zinc/01/92/29/809019229.db2.gz GCNDGGVKOSUXER-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001276597093 809019239 /nfs/dbraw/zinc/01/92/39/809019239.db2.gz GCNDGGVKOSUXER-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC001276597093 809019247 /nfs/dbraw/zinc/01/92/47/809019247.db2.gz GCNDGGVKOSUXER-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1OC(C)C ZINC001276776923 809031039 /nfs/dbraw/zinc/03/10/39/809031039.db2.gz HKMHTXCEWRRJOB-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1OC(C)C ZINC001276776923 809031046 /nfs/dbraw/zinc/03/10/46/809031046.db2.gz HKMHTXCEWRRJOB-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP Cc1cccc2[nH]cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c21 ZINC001276840146 809034942 /nfs/dbraw/zinc/03/49/42/809034942.db2.gz KCQQLAPRVFBSCS-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c21 ZINC001276840146 809034948 /nfs/dbraw/zinc/03/49/48/809034948.db2.gz KCQQLAPRVFBSCS-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c21 ZINC001276840146 809034956 /nfs/dbraw/zinc/03/49/56/809034956.db2.gz KCQQLAPRVFBSCS-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3cccnc3c1)CC2 ZINC001276833960 809035945 /nfs/dbraw/zinc/03/59/45/809035945.db2.gz WINBCNSIHVULAV-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1O ZINC001276878229 809039581 /nfs/dbraw/zinc/03/95/81/809039581.db2.gz RMGOCDOIUWTGKE-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1O ZINC001276878229 809039586 /nfs/dbraw/zinc/03/95/86/809039586.db2.gz RMGOCDOIUWTGKE-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1O ZINC001276878229 809039592 /nfs/dbraw/zinc/03/95/92/809039592.db2.gz RMGOCDOIUWTGKE-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1O ZINC001276878229 809039597 /nfs/dbraw/zinc/03/95/97/809039597.db2.gz RMGOCDOIUWTGKE-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(O)ccc2c1 ZINC001276870505 809039904 /nfs/dbraw/zinc/03/99/04/809039904.db2.gz PYKCVUMLJGDCRQ-AYHJJNSGSA-N 2 1 296.414 3.260 20 0 CGADMP c1cc(N2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)cc[nH+]1 ZINC001277693489 809089298 /nfs/dbraw/zinc/08/92/98/809089298.db2.gz IWOJXCNUPNNGNG-SFHVURJKSA-N 2 1 285.435 3.317 20 0 CGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cnc1C1CC1 ZINC001277828388 809100818 /nfs/dbraw/zinc/10/08/18/809100818.db2.gz NPNJCXMXBCWCJM-HDICACEKSA-N 2 1 299.462 3.041 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cnc1C1CC1 ZINC001277828388 809100822 /nfs/dbraw/zinc/10/08/22/809100822.db2.gz NPNJCXMXBCWCJM-HDICACEKSA-N 2 1 299.462 3.041 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cnc1C1CC1 ZINC001277828388 809100824 /nfs/dbraw/zinc/10/08/24/809100824.db2.gz NPNJCXMXBCWCJM-HDICACEKSA-N 2 1 299.462 3.041 20 0 CGADMP CCCC[N@@H+](C[C@H](C)OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984537 809227022 /nfs/dbraw/zinc/22/70/22/809227022.db2.gz ROSZHFYIJRAHJP-AWEZNQCLSA-N 2 1 284.488 3.433 20 0 CGADMP C[N@H+]1C[C@]23C[NH+](CCc4ccccc4)C[C@@]2(C1)CCCC3 ZINC001177008432 809775090 /nfs/dbraw/zinc/77/50/90/809775090.db2.gz KBKMWXGDZWIWFK-KDURUIRLSA-N 2 1 284.447 3.037 20 0 CGADMP C[NH+]1C[C@]23C[N@H+](CCc4ccccc4)C[C@@]2(C1)CCCC3 ZINC001177008432 809775093 /nfs/dbraw/zinc/77/50/93/809775093.db2.gz KBKMWXGDZWIWFK-KDURUIRLSA-N 2 1 284.447 3.037 20 0 CGADMP C[NH+]1C[C@]23C[N@@H+](CCc4ccccc4)C[C@@]2(C1)CCCC3 ZINC001177008432 809775099 /nfs/dbraw/zinc/77/50/99/809775099.db2.gz KBKMWXGDZWIWFK-KDURUIRLSA-N 2 1 284.447 3.037 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001177295190 809792146 /nfs/dbraw/zinc/79/21/46/809792146.db2.gz YUTFXUJLUWVKAR-RCCFBDPRSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC001177328365 809794106 /nfs/dbraw/zinc/79/41/06/809794106.db2.gz LIIKTFOQEYKHEM-INIZCTEOSA-N 2 1 289.467 3.102 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001179814982 809947821 /nfs/dbraw/zinc/94/78/21/809947821.db2.gz CCUUARBFFFVATJ-OKZBNKHCSA-N 2 1 272.436 3.240 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001182716008 810121485 /nfs/dbraw/zinc/12/14/85/810121485.db2.gz SWUDNURPBRMNMK-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCCC4)CC[C@H]21 ZINC001183370902 810146936 /nfs/dbraw/zinc/14/69/36/810146936.db2.gz MSIPNQGBSZIAET-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCCC4)CC[C@H]21 ZINC001183370902 810146937 /nfs/dbraw/zinc/14/69/37/810146937.db2.gz MSIPNQGBSZIAET-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCC4)CC[C@H]21 ZINC001183370902 810146939 /nfs/dbraw/zinc/14/69/39/810146939.db2.gz MSIPNQGBSZIAET-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCC4)CC[C@H]21 ZINC001183370902 810146941 /nfs/dbraw/zinc/14/69/41/810146941.db2.gz MSIPNQGBSZIAET-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001184387758 810197033 /nfs/dbraw/zinc/19/70/33/810197033.db2.gz NEOVCZNAOVMPJR-OLMNGRFOSA-N 2 1 264.457 3.131 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CC(C)C2)CC1 ZINC001190817598 810650838 /nfs/dbraw/zinc/65/08/38/810650838.db2.gz BWQHOSAELOVINN-UHFFFAOYSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)CC(C)(C)C ZINC001196489696 811350217 /nfs/dbraw/zinc/35/02/17/811350217.db2.gz SGMOHOPBTVMEPK-HZPDHXFCSA-N 2 1 284.488 3.101 20 0 CGADMP Cc1cccc(CCC[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001196631747 811356969 /nfs/dbraw/zinc/35/69/69/811356969.db2.gz IXDHOOACYPTFEW-OALUTQOASA-N 2 1 286.463 3.201 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCC3(C)C)C[C@@H]2C1 ZINC001196781931 811366468 /nfs/dbraw/zinc/36/64/68/811366468.db2.gz KXOHSUMLRLENJM-PMPSAXMXSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCC3(C)C)C[C@@H]2C1 ZINC001196781931 811366476 /nfs/dbraw/zinc/36/64/76/811366476.db2.gz KXOHSUMLRLENJM-PMPSAXMXSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(C)C)C[C@@H]2C1 ZINC001196781931 811366484 /nfs/dbraw/zinc/36/64/84/811366484.db2.gz KXOHSUMLRLENJM-PMPSAXMXSA-N 2 1 264.457 3.086 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001197031470 811391495 /nfs/dbraw/zinc/39/14/95/811391495.db2.gz KSYLLNOBSYCBOP-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001197031470 811391506 /nfs/dbraw/zinc/39/15/06/811391506.db2.gz KSYLLNOBSYCBOP-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001197031470 811391519 /nfs/dbraw/zinc/39/15/19/811391519.db2.gz KSYLLNOBSYCBOP-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001197031470 811391528 /nfs/dbraw/zinc/39/15/28/811391528.db2.gz KSYLLNOBSYCBOP-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC001199038438 811556757 /nfs/dbraw/zinc/55/67/57/811556757.db2.gz PIJNIOKMTFALAC-UHFFFAOYSA-N 2 1 295.496 3.307 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC001199037734 811557067 /nfs/dbraw/zinc/55/70/67/811557067.db2.gz FPSGFUXHNIOETI-UHFFFAOYSA-N 2 1 294.414 3.190 20 0 CGADMP C[C@@H](C[NH2+]CC1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001199266375 811567159 /nfs/dbraw/zinc/56/71/59/811567159.db2.gz JEASWDSANONOFA-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](C[NH2+]CC1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC001199266375 811567167 /nfs/dbraw/zinc/56/71/67/811567167.db2.gz JEASWDSANONOFA-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)CC1 ZINC001199708943 811589381 /nfs/dbraw/zinc/58/93/81/811589381.db2.gz MOXSMFBBOJXGTR-PYBGIAKNSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)CC1 ZINC001199708943 811589383 /nfs/dbraw/zinc/58/93/83/811589383.db2.gz MOXSMFBBOJXGTR-PYBGIAKNSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1coc(CNCc2ccccc2-n2ccnc2)c1 ZINC001199750547 811595142 /nfs/dbraw/zinc/59/51/42/811595142.db2.gz FODXFQAJJUZAEM-UHFFFAOYSA-N 2 1 267.332 3.064 20 0 CGADMP CCOc1ccc(Cl)cc1C[NH2+]CCn1cc[nH+]c1C ZINC001199865026 811602723 /nfs/dbraw/zinc/60/27/23/811602723.db2.gz LCLFZGRAMDKOLK-UHFFFAOYSA-N 2 1 293.798 3.033 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H](C)CC[NH+](C)C)oc2cc1C ZINC001199906729 811607952 /nfs/dbraw/zinc/60/79/52/811607952.db2.gz OCPSVWCALRLEOX-CQSZACIVSA-N 2 1 274.408 3.479 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001201953978 811983136 /nfs/dbraw/zinc/98/31/36/811983136.db2.gz CJFVYZQYTUPPTH-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)CC[C@@H](C)CCCC(C)(C)OC ZINC001236860459 819624059 /nfs/dbraw/zinc/62/40/59/819624059.db2.gz PNUIMQXYGLBYCU-GJZGRUSLSA-N 2 1 272.477 3.277 20 0 CGADMP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)[nH]1 ZINC001203248203 812281698 /nfs/dbraw/zinc/28/16/98/812281698.db2.gz QKCVROYKVLMEPN-OKILXGFUSA-N 2 1 281.403 3.367 20 0 CGADMP CCc1nc(C)c(CN2C[C@@H]3C[C@H](C2)c2ccccc23)[nH]1 ZINC001203248203 812281705 /nfs/dbraw/zinc/28/17/05/812281705.db2.gz QKCVROYKVLMEPN-OKILXGFUSA-N 2 1 281.403 3.367 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(Cc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001203416971 812351522 /nfs/dbraw/zinc/35/15/22/812351522.db2.gz KKQSHRWASBSVLJ-NEPJUHHUSA-N 2 1 299.245 3.377 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001203544033 812388907 /nfs/dbraw/zinc/38/89/07/812388907.db2.gz QBTQMOULHDGQBF-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP CCO[C@H](C[NH2+]C[C@@H](C)CC1CCCCC1)C[NH+](C)C ZINC001203633914 812412943 /nfs/dbraw/zinc/41/29/43/812412943.db2.gz KOLWDWWLTLETJE-DOTOQJQBSA-N 2 1 284.488 3.149 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1cc(C)c(OC)cc1C ZINC001203759142 812456863 /nfs/dbraw/zinc/45/68/63/812456863.db2.gz XXLJQDQLBQRPMQ-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001204048301 812534042 /nfs/dbraw/zinc/53/40/42/812534042.db2.gz QXGOGIHQJZQKEL-DZGCQCFKSA-N 2 1 282.378 3.284 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001204289762 812599459 /nfs/dbraw/zinc/59/94/59/812599459.db2.gz UIHYIURGZVDBTO-UHFFFAOYSA-N 2 1 285.435 3.250 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)C1CCCCC1 ZINC001204599237 812686084 /nfs/dbraw/zinc/68/60/84/812686084.db2.gz UULNIVXMLOMAHI-UHFFFAOYSA-N 2 1 258.409 3.097 20 0 CGADMP C[N@@H+](CCc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204604747 812687519 /nfs/dbraw/zinc/68/75/19/812687519.db2.gz XASAUZNTGDBSCY-UHFFFAOYSA-N 2 1 280.415 3.007 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204675799 812705664 /nfs/dbraw/zinc/70/56/64/812705664.db2.gz XVHCJLUZYGOHAG-UHFFFAOYSA-N 2 1 284.378 3.288 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204675799 812705668 /nfs/dbraw/zinc/70/56/68/812705668.db2.gz XVHCJLUZYGOHAG-UHFFFAOYSA-N 2 1 284.378 3.288 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@](C)([NH3+])C1)c1cccc2ccccc21 ZINC001204763429 812728865 /nfs/dbraw/zinc/72/88/65/812728865.db2.gz JYLLLUUAPLNDFM-KSSFIOAISA-N 2 1 268.404 3.366 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@](C)([NH3+])C1)c1cccc2ccccc21 ZINC001204763429 812728869 /nfs/dbraw/zinc/72/88/69/812728869.db2.gz JYLLLUUAPLNDFM-KSSFIOAISA-N 2 1 268.404 3.366 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2CC[C@H]2COC(C)(C)[NH2+]2)c1 ZINC001204847895 812753508 /nfs/dbraw/zinc/75/35/08/812753508.db2.gz HNAPCGZORADVRF-DLBZAZTESA-N 2 1 288.435 3.247 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@H]2COC(C)(C)[NH2+]2)c1 ZINC001204847895 812753514 /nfs/dbraw/zinc/75/35/14/812753514.db2.gz HNAPCGZORADVRF-DLBZAZTESA-N 2 1 288.435 3.247 20 0 CGADMP Clc1ccc(C2=CC[N@@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001204870630 812758603 /nfs/dbraw/zinc/75/86/03/812758603.db2.gz YXUANNUCVFUHLQ-AWEZNQCLSA-N 2 1 290.838 3.429 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904562 812771059 /nfs/dbraw/zinc/77/10/59/812771059.db2.gz SLWQWNCIFFLBIY-HUUCEWRRSA-N 2 1 282.472 3.031 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904562 812771067 /nfs/dbraw/zinc/77/10/67/812771067.db2.gz SLWQWNCIFFLBIY-HUUCEWRRSA-N 2 1 282.472 3.031 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c2ccccc12 ZINC001204925106 812778282 /nfs/dbraw/zinc/77/82/82/812778282.db2.gz MTUPWINXIJBUBP-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])c2ccccc12 ZINC001204925106 812778291 /nfs/dbraw/zinc/77/82/91/812778291.db2.gz MTUPWINXIJBUBP-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001205000235 812817507 /nfs/dbraw/zinc/81/75/07/812817507.db2.gz AYFNDXXNIIXVBI-YSVLISHTSA-N 2 1 292.854 3.375 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001205009240 812822039 /nfs/dbraw/zinc/82/20/39/812822039.db2.gz JWJFRDSBOLUGPZ-AWEZNQCLSA-N 2 1 286.394 3.410 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC001205009600 812823952 /nfs/dbraw/zinc/82/39/52/812823952.db2.gz YSNNAPPSHUTDGL-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2C)C1 ZINC001205018724 812829080 /nfs/dbraw/zinc/82/90/80/812829080.db2.gz YMKXPAXABYEBRK-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2C)C1 ZINC001205018724 812829087 /nfs/dbraw/zinc/82/90/87/812829087.db2.gz YMKXPAXABYEBRK-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001205063790 812843547 /nfs/dbraw/zinc/84/35/47/812843547.db2.gz BAPASBUFSWRNSP-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001205063790 812843556 /nfs/dbraw/zinc/84/35/56/812843556.db2.gz BAPASBUFSWRNSP-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205094469 812860437 /nfs/dbraw/zinc/86/04/37/812860437.db2.gz MQJHLRHZGLAPLL-INIZCTEOSA-N 2 1 276.424 3.179 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC001205094730 812860631 /nfs/dbraw/zinc/86/06/31/812860631.db2.gz OWCCCRXTORJFKF-INIZCTEOSA-N 2 1 254.377 3.153 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1C(C)C ZINC001205101524 812865774 /nfs/dbraw/zinc/86/57/74/812865774.db2.gz HVVYBNYHRHUPBU-OAHLLOKOSA-N 2 1 276.424 3.132 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001205101439 812865902 /nfs/dbraw/zinc/86/59/02/812865902.db2.gz FFZNTMMDNBUYOD-LLVKDONJSA-N 2 1 277.799 3.135 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001205110144 812872033 /nfs/dbraw/zinc/87/20/33/812872033.db2.gz POJUOHZYLFIHEL-QGZVFWFLSA-N 2 1 281.403 3.062 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccnc3c(Cl)cccc23)CC1 ZINC001205124498 812879115 /nfs/dbraw/zinc/87/91/15/812879115.db2.gz SYLXFJLDOSIQHM-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccnc3c(Cl)cccc23)CC1 ZINC001205124498 812879128 /nfs/dbraw/zinc/87/91/28/812879128.db2.gz SYLXFJLDOSIQHM-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP C[C@H]1C[N@H+](CCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC001205130597 812880001 /nfs/dbraw/zinc/88/00/01/812880001.db2.gz KHPJODADKPNUPT-WDEREUQCSA-N 2 1 287.234 3.063 20 0 CGADMP C[C@H]1C[N@@H+](CCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC001205130597 812880009 /nfs/dbraw/zinc/88/00/09/812880009.db2.gz KHPJODADKPNUPT-WDEREUQCSA-N 2 1 287.234 3.063 20 0 CGADMP Cc1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cccc1C(F)(F)F ZINC001205146088 812886786 /nfs/dbraw/zinc/88/67/86/812886786.db2.gz NGRPHKYHQSNMIU-GXFFZTMASA-N 2 1 286.341 3.040 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001205164910 812894459 /nfs/dbraw/zinc/89/44/59/812894459.db2.gz VPXOXKCWVNIORR-AWEZNQCLSA-N 2 1 266.388 3.265 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001205164698 812895670 /nfs/dbraw/zinc/89/56/70/812895670.db2.gz ORGCWXDCJNGDCX-HNNXBMFYSA-N 2 1 292.426 3.452 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2ccc(F)cc2Cl)CC1 ZINC001205257944 812919420 /nfs/dbraw/zinc/91/94/20/812919420.db2.gz ZEZRGDOYNFXCBT-OAHLLOKOSA-N 2 1 284.806 3.225 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255468 812919481 /nfs/dbraw/zinc/91/94/81/812919481.db2.gz JCOAYWDDVAUPQP-DOTOQJQBSA-N 2 1 284.488 3.157 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001205264321 812921210 /nfs/dbraw/zinc/92/12/10/812921210.db2.gz KKUUGLOFFFZIOW-INIZCTEOSA-N 2 1 275.371 3.010 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1C ZINC001205266985 812923325 /nfs/dbraw/zinc/92/33/25/812923325.db2.gz ZJCYCDKSHVWBDS-KRWDZBQOSA-N 2 1 276.424 3.015 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001205296617 812938173 /nfs/dbraw/zinc/93/81/73/812938173.db2.gz RQQHFQFYKRVRDF-MRXNPFEDSA-N 2 1 275.371 3.010 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303214 812941025 /nfs/dbraw/zinc/94/10/25/812941025.db2.gz AYVLKLSHXNTWRH-WCQYABFASA-N 2 1 266.816 3.065 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC001205303363 812941070 /nfs/dbraw/zinc/94/10/70/812941070.db2.gz CWUKOFBNJIQWED-STQMWFEESA-N 2 1 266.454 3.117 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C[C@@H]1C[NH3+] ZINC001205303810 812942206 /nfs/dbraw/zinc/94/22/06/812942206.db2.gz KYABASXETIDQEJ-RYUDHWBXSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318521 812950693 /nfs/dbraw/zinc/95/06/93/812950693.db2.gz VQARPOORXVEDCA-CMPLNLGQSA-N 2 1 284.806 3.204 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318521 812950698 /nfs/dbraw/zinc/95/06/98/812950698.db2.gz VQARPOORXVEDCA-CMPLNLGQSA-N 2 1 284.806 3.204 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205331877 812958714 /nfs/dbraw/zinc/95/87/14/812958714.db2.gz LBLDITDZHKTQOL-OAHLLOKOSA-N 2 1 296.414 3.243 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205331877 812958720 /nfs/dbraw/zinc/95/87/20/812958720.db2.gz LBLDITDZHKTQOL-OAHLLOKOSA-N 2 1 296.414 3.243 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205331991 812959037 /nfs/dbraw/zinc/95/90/37/812959037.db2.gz LMVYZMOXJHYOSG-OAHLLOKOSA-N 2 1 268.404 3.332 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Cl ZINC001205570057 813006791 /nfs/dbraw/zinc/00/67/91/813006791.db2.gz DNKKZAJUFYFIMQ-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Cl ZINC001205570242 813008533 /nfs/dbraw/zinc/00/85/33/813008533.db2.gz HMOCEFPMVIBIMQ-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1C[NH3+] ZINC001205617389 813026993 /nfs/dbraw/zinc/02/69/93/813026993.db2.gz JHWJHVAOTUNZEZ-WFASDCNBSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC001205615766 813027508 /nfs/dbraw/zinc/02/75/08/813027508.db2.gz AVROOVPSMKYBMQ-CHWSQXEVSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)CC[C@@H]1C[NH3+] ZINC001205617828 813028863 /nfs/dbraw/zinc/02/88/63/813028863.db2.gz OGRDFJKYJOFMLR-WMLDXEAASA-N 2 1 283.419 3.042 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)cc21 ZINC001205618007 813029306 /nfs/dbraw/zinc/02/93/06/813029306.db2.gz QOOJNVNUGSOJAB-MAUKXSAKSA-N 2 1 299.462 3.468 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(C)c1F ZINC001205627655 813033848 /nfs/dbraw/zinc/03/38/48/813033848.db2.gz RIKBEKGNTMLEPD-MLGOLLRUSA-N 2 1 278.415 3.249 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205636071 813035416 /nfs/dbraw/zinc/03/54/16/813035416.db2.gz CACWFNXRRLOSQV-KGLIPLIRSA-N 2 1 278.465 3.215 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c1 ZINC001205639165 813038100 /nfs/dbraw/zinc/03/81/00/813038100.db2.gz WTAZEGKTURFEBO-OLZOCXBDSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3cccnc3s2)CC[C@H]1C[NH3+] ZINC001205639330 813038400 /nfs/dbraw/zinc/03/84/00/813038400.db2.gz YYWQWQPRMOUSLX-OCCSQVGLSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)CC[C@H]1C[NH3+] ZINC001205651242 813041508 /nfs/dbraw/zinc/04/15/08/813041508.db2.gz BJEQMJNHDCVEHT-HIFRSBDPSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205816715 813093841 /nfs/dbraw/zinc/09/38/41/813093841.db2.gz NYBYMRMBYKJQPH-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205816715 813093849 /nfs/dbraw/zinc/09/38/49/813093849.db2.gz NYBYMRMBYKJQPH-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](CN)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826582 813098474 /nfs/dbraw/zinc/09/84/74/813098474.db2.gz ANGAEWZQVYTMOX-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826582 813098482 /nfs/dbraw/zinc/09/84/82/813098482.db2.gz ANGAEWZQVYTMOX-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826582 813098486 /nfs/dbraw/zinc/09/84/86/813098486.db2.gz ANGAEWZQVYTMOX-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826582 813098494 /nfs/dbraw/zinc/09/84/94/813098494.db2.gz ANGAEWZQVYTMOX-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1ccccc1Cl ZINC001205901272 813123173 /nfs/dbraw/zinc/12/31/73/813123173.db2.gz CDXQPYBGTDVVRK-HIFRSBDPSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCCc1ccccc1 ZINC001205903067 813124584 /nfs/dbraw/zinc/12/45/84/813124584.db2.gz NLUAEZCBTRSHPB-SJLPKXTDSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205915499 813130693 /nfs/dbraw/zinc/13/06/93/813130693.db2.gz PLHDCQDZKRNGQT-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205915499 813130695 /nfs/dbraw/zinc/13/06/95/813130695.db2.gz PLHDCQDZKRNGQT-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(C)c1F ZINC001205913551 813130711 /nfs/dbraw/zinc/13/07/11/813130711.db2.gz JBCGGYAHRAOKON-HIFRSBDPSA-N 2 1 264.388 3.002 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2c1CCCC2 ZINC001205915614 813131039 /nfs/dbraw/zinc/13/10/39/813131039.db2.gz QAVRBEZVMPRILM-GDBMZVCRSA-N 2 1 272.436 3.125 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205917228 813132613 /nfs/dbraw/zinc/13/26/13/813132613.db2.gz XSEHEVDJGFSRTO-ZBFHGGJFSA-N 2 1 260.425 3.117 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205916141 813133270 /nfs/dbraw/zinc/13/32/70/813133270.db2.gz SAGYNLYWYUYIKX-CRAIPNDOSA-N 2 1 274.452 3.444 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c2ccoc2ccc1F ZINC001205922958 813134682 /nfs/dbraw/zinc/13/46/82/813134682.db2.gz FLOIXXSMOPESSK-NWDGAFQWSA-N 2 1 276.355 3.131 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c2ccoc2ccc1F ZINC001205922958 813134685 /nfs/dbraw/zinc/13/46/85/813134685.db2.gz FLOIXXSMOPESSK-NWDGAFQWSA-N 2 1 276.355 3.131 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001205923948 813135757 /nfs/dbraw/zinc/13/57/57/813135757.db2.gz QYQMEFNFHPDSCI-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205939843 813141539 /nfs/dbraw/zinc/14/15/39/813141539.db2.gz UNKYVIHRSQUUJO-QGZVFWFLSA-N 2 1 258.409 3.267 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205939843 813141542 /nfs/dbraw/zinc/14/15/42/813141542.db2.gz UNKYVIHRSQUUJO-QGZVFWFLSA-N 2 1 258.409 3.267 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2ccc(F)cc2)CCC[C@H]1C[NH3+] ZINC001205984486 813151258 /nfs/dbraw/zinc/15/12/58/813151258.db2.gz SGZFEVMKMOIMBM-HOCLYGCPSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CCC[C@@H]1C[NH3+] ZINC001205993673 813155108 /nfs/dbraw/zinc/15/51/08/813155108.db2.gz IGRSKQFNIJRKJW-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC001205994112 813155411 /nfs/dbraw/zinc/15/54/11/813155411.db2.gz JHVWAHJXNNORJQ-JKSUJKDBSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ncccc23)CCC[C@@H]1C[NH3+] ZINC001205994922 813156435 /nfs/dbraw/zinc/15/64/35/813156435.db2.gz NFKUGXZSOLBCIN-LSDHHAIUSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)CCC[C@H]1C[NH3+] ZINC001206012063 813164810 /nfs/dbraw/zinc/16/48/10/813164810.db2.gz IPFFCLQVQKTFLX-QWRGUYRKSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@H]1C[N@@H+](Cc2nccc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206013140 813165313 /nfs/dbraw/zinc/16/53/13/813165313.db2.gz POUXUQMVMKVDBL-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206012265 813165326 /nfs/dbraw/zinc/16/53/26/813165326.db2.gz JLZIJISNLMLRHO-CRAIPNDOSA-N 2 1 274.452 3.446 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206034793 813173748 /nfs/dbraw/zinc/17/37/48/813173748.db2.gz AFZOUOMREXMALT-BZUAXINKSA-N 2 1 284.488 3.277 20 0 CGADMP Cc1cccc2c1C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001206082427 813195173 /nfs/dbraw/zinc/19/51/73/813195173.db2.gz ZAOVOABCMPGWJS-UHFFFAOYSA-N 2 1 284.428 3.218 20 0 CGADMP Cc1cccc2c1C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001206082427 813195178 /nfs/dbraw/zinc/19/51/78/813195178.db2.gz ZAOVOABCMPGWJS-UHFFFAOYSA-N 2 1 284.428 3.218 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3ccccc3c2)CC[C@@H]1F ZINC001206157532 813218244 /nfs/dbraw/zinc/21/82/44/813218244.db2.gz ZMZOXDMQCQOTSF-IRXDYDNUSA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1F ZINC001206157532 813218249 /nfs/dbraw/zinc/21/82/49/813218249.db2.gz ZMZOXDMQCQOTSF-IRXDYDNUSA-N 2 1 272.367 3.101 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206183086 813230222 /nfs/dbraw/zinc/23/02/22/813230222.db2.gz FLOWDJGUAOYGPO-SJORKVTESA-N 2 1 278.415 3.146 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206200146 813236349 /nfs/dbraw/zinc/23/63/49/813236349.db2.gz QROXYGFFFUUZPX-CVEARBPZSA-N 2 1 294.414 3.125 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3cccccc2-3)CC[C@H]1F ZINC001206201897 813237832 /nfs/dbraw/zinc/23/78/32/813237832.db2.gz ZQYNUSSNDUGMJG-SJORKVTESA-N 2 1 272.367 3.053 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cccccc2-3)CC[C@H]1F ZINC001206201897 813237837 /nfs/dbraw/zinc/23/78/37/813237837.db2.gz ZQYNUSSNDUGMJG-SJORKVTESA-N 2 1 272.367 3.053 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295294 813276399 /nfs/dbraw/zinc/27/63/99/813276399.db2.gz MDDKSGPHAMFAPL-SJLPKXTDSA-N 2 1 298.515 3.405 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccc(F)cc2)CC1 ZINC001206297648 813276791 /nfs/dbraw/zinc/27/67/91/813276791.db2.gz ZEICBNZJDGJZFO-KRWDZBQOSA-N 2 1 278.415 3.209 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c2c1 ZINC001206304206 813280058 /nfs/dbraw/zinc/28/00/58/813280058.db2.gz HKHQMDAWQHHDJR-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001206303730 813280189 /nfs/dbraw/zinc/28/01/89/813280189.db2.gz GGZGGMYPLRKSQN-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC001206305183 813281762 /nfs/dbraw/zinc/28/17/62/813281762.db2.gz VRDCHXLMXKNACE-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC001206305184 813282381 /nfs/dbraw/zinc/28/23/81/813282381.db2.gz VRDCHXLMXKNACE-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2coc3ccccc23)CC1 ZINC001206311879 813284118 /nfs/dbraw/zinc/28/41/18/813284118.db2.gz WKIQQOSXJOCLBB-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001206311610 813284405 /nfs/dbraw/zinc/28/44/05/813284405.db2.gz RIKJDPCPZYEZBO-LJQANCHMSA-N 2 1 298.430 3.496 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cc(F)cc2F)CC1 ZINC001206311859 813284798 /nfs/dbraw/zinc/28/47/98/813284798.db2.gz VZGYCXNYNAHKJJ-HNNXBMFYSA-N 2 1 286.341 3.055 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001206318110 813286624 /nfs/dbraw/zinc/28/66/24/813286624.db2.gz MNXWNSPSRZMRME-SFHVURJKSA-N 2 1 299.418 3.293 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)s1 ZINC001206319002 813287773 /nfs/dbraw/zinc/28/77/73/813287773.db2.gz XGQRQPNGLXJRRV-OAHLLOKOSA-N 2 1 266.454 3.261 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](CCC2CCCCC2)C1 ZINC001206335238 813292732 /nfs/dbraw/zinc/29/27/32/813292732.db2.gz CXUXJMXHOUQMRY-OAHLLOKOSA-N 2 1 256.409 3.110 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001206335238 813292739 /nfs/dbraw/zinc/29/27/39/813292739.db2.gz CXUXJMXHOUQMRY-OAHLLOKOSA-N 2 1 256.409 3.110 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](CCC2CCCCC2)C1 ZINC001206335236 813292996 /nfs/dbraw/zinc/29/29/96/813292996.db2.gz CXUXJMXHOUQMRY-HNNXBMFYSA-N 2 1 256.409 3.110 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001206335236 813292999 /nfs/dbraw/zinc/29/29/99/813292999.db2.gz CXUXJMXHOUQMRY-HNNXBMFYSA-N 2 1 256.409 3.110 20 0 CGADMP Cc1noc2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc12 ZINC001206336659 813294115 /nfs/dbraw/zinc/29/41/15/813294115.db2.gz MPHKBSQQMDRBJI-KRWDZBQOSA-N 2 1 287.407 3.087 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)sc1C ZINC001206370638 813305605 /nfs/dbraw/zinc/30/56/05/813305605.db2.gz OHCMCHQMADLZHL-AWEZNQCLSA-N 2 1 270.417 3.018 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)sc1C ZINC001206370638 813305611 /nfs/dbraw/zinc/30/56/11/813305611.db2.gz OHCMCHQMADLZHL-AWEZNQCLSA-N 2 1 270.417 3.018 20 0 CGADMP CC1(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)CCCCC1 ZINC001206541819 813345300 /nfs/dbraw/zinc/34/53/00/813345300.db2.gz KXKRHYXURNCKSH-INIZCTEOSA-N 2 1 252.446 3.408 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001206541869 813345586 /nfs/dbraw/zinc/34/55/86/813345586.db2.gz MFISAZGLAXEBAR-HNNXBMFYSA-N 2 1 266.816 3.291 20 0 CGADMP Cn1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c2ccccc21 ZINC001206542048 813345674 /nfs/dbraw/zinc/34/56/74/813345674.db2.gz PZMXTEPVZREGBL-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC001206547043 813347217 /nfs/dbraw/zinc/34/72/17/813347217.db2.gz AXGSCSCHSPMSCJ-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001206548249 813347782 /nfs/dbraw/zinc/34/77/82/813347782.db2.gz IGSQFNBJDQKNNM-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001206549413 813349022 /nfs/dbraw/zinc/34/90/22/813349022.db2.gz MMMRXXDAPTZVPE-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc(F)c1F ZINC001206556663 813352829 /nfs/dbraw/zinc/35/28/29/813352829.db2.gz UZGOUDFBDNJQMB-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc(F)c1F ZINC001206556663 813352834 /nfs/dbraw/zinc/35/28/34/813352834.db2.gz UZGOUDFBDNJQMB-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC001206564198 813354594 /nfs/dbraw/zinc/35/45/94/813354594.db2.gz MVIVBLMXRIPHOE-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC001206564198 813354599 /nfs/dbraw/zinc/35/45/99/813354599.db2.gz MVIVBLMXRIPHOE-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206582980 813361461 /nfs/dbraw/zinc/36/14/61/813361461.db2.gz RBVXJXWXFXLCAK-INIZCTEOSA-N 2 1 264.388 3.178 20 0 CGADMP CC(C)[N@@H+](CCC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC001206582116 813362319 /nfs/dbraw/zinc/36/23/19/813362319.db2.gz MALWDRNYJJZXRL-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[N@@H+](CCc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206583465 813364500 /nfs/dbraw/zinc/36/45/00/813364500.db2.gz VAFHRQSQCAVNNE-OAHLLOKOSA-N 2 1 296.405 3.360 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1Cl ZINC001206623265 813377743 /nfs/dbraw/zinc/37/77/43/813377743.db2.gz KPNXOMKXAXCOOQ-AWEZNQCLSA-N 2 1 266.816 3.209 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640891 813383919 /nfs/dbraw/zinc/38/39/19/813383919.db2.gz OQIAFZWSFWRFLN-OAHLLOKOSA-N 2 1 290.451 3.425 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2cccc3c4ccccc4oc32)C1 ZINC001206723956 813407757 /nfs/dbraw/zinc/40/77/57/813407757.db2.gz XUGBNFUNKORXAW-UHFFFAOYSA-N 2 1 280.371 3.367 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCCCc1ccccc1 ZINC001206761071 813426267 /nfs/dbraw/zinc/42/62/67/813426267.db2.gz SLXAXXZJYDFCAP-WMZOPIPTSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)c1ccccc1 ZINC001206761470 813427398 /nfs/dbraw/zinc/42/73/98/813427398.db2.gz ZAYDPCXHSVSRTQ-HOTGVXAUSA-N 2 1 274.452 3.414 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770560 813432317 /nfs/dbraw/zinc/43/23/17/813432317.db2.gz SRZYTALFWTVNLR-CABCVRRESA-N 2 1 276.424 3.033 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206805230 813441377 /nfs/dbraw/zinc/44/13/77/813441377.db2.gz AZQFQCWSGANNHD-UONOGXRCSA-N 2 1 264.388 3.002 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc2cccccc1-2 ZINC001206805668 813442398 /nfs/dbraw/zinc/44/23/98/813442398.db2.gz CDOZDYFZAVBNRL-LSDHHAIUSA-N 2 1 268.404 3.351 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC001207267622 813527245 /nfs/dbraw/zinc/52/72/45/813527245.db2.gz GONWWNBBMLRLSP-HNNXBMFYSA-N 2 1 264.457 3.395 20 0 CGADMP CC1=CC[C@@H](CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC001207267622 813527248 /nfs/dbraw/zinc/52/72/48/813527248.db2.gz GONWWNBBMLRLSP-HNNXBMFYSA-N 2 1 264.457 3.395 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207274426 813528084 /nfs/dbraw/zinc/52/80/84/813528084.db2.gz CDGCHOXZQHGZFL-AWEZNQCLSA-N 2 1 260.425 3.194 20 0 CGADMP CC[N@H+](Cc1cccc(F)c1)CC(C)(C)C[NH+](C)C ZINC001207283360 813533237 /nfs/dbraw/zinc/53/32/37/813533237.db2.gz XHAUNRLHGYKCEP-UHFFFAOYSA-N 2 1 266.404 3.235 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)CC(C)(C)C[NH+](C)C ZINC001207283360 813533241 /nfs/dbraw/zinc/53/32/41/813533241.db2.gz XHAUNRLHGYKCEP-UHFFFAOYSA-N 2 1 266.404 3.235 20 0 CGADMP Cc1cccc(CC[N@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC001207285716 813536666 /nfs/dbraw/zinc/53/66/66/813536666.db2.gz NGUDIKDLFQXDBQ-UHFFFAOYSA-N 2 1 262.441 3.057 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207484457 813573303 /nfs/dbraw/zinc/57/33/03/813573303.db2.gz LGPYPCDILCYPAV-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001207487926 813575097 /nfs/dbraw/zinc/57/50/97/813575097.db2.gz YWZFUVXNDGMSLD-IAGOWNOFSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001207837389 813658763 /nfs/dbraw/zinc/65/87/63/813658763.db2.gz PLSBYZWGOMDHNU-MXASKKJJSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc(CCC[NH+]2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC001207948777 813678329 /nfs/dbraw/zinc/67/83/29/813678329.db2.gz AHLNPVZJHSZOED-UHFFFAOYSA-N 2 1 290.451 3.471 20 0 CGADMP CS[C@H](C)CC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001208144205 813707408 /nfs/dbraw/zinc/70/74/08/813707408.db2.gz OFEHIWQCKPJLFE-CQSZACIVSA-N 2 1 293.480 3.070 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001208173223 813727423 /nfs/dbraw/zinc/72/74/23/813727423.db2.gz HPJQRSIGDKVGQZ-SJORKVTESA-N 2 1 264.457 3.397 20 0 CGADMP C[NH+](C)CC1(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCCC1 ZINC001208183282 813734152 /nfs/dbraw/zinc/73/41/52/813734152.db2.gz ALZVMXPNAAZXKT-KGLIPLIRSA-N 2 1 286.410 3.086 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001208186390 813734910 /nfs/dbraw/zinc/73/49/10/813734910.db2.gz PXAWAZYQOWEEEO-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001208192050 813738104 /nfs/dbraw/zinc/73/81/04/813738104.db2.gz YVELXDWHRFMAMI-UIZHIOIMSA-N 2 1 264.457 3.397 20 0 CGADMP CC/C=C\CCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001208192050 813738107 /nfs/dbraw/zinc/73/81/07/813738107.db2.gz YVELXDWHRFMAMI-UIZHIOIMSA-N 2 1 264.457 3.397 20 0 CGADMP CC/C=C\CCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001208192050 813738110 /nfs/dbraw/zinc/73/81/10/813738110.db2.gz YVELXDWHRFMAMI-UIZHIOIMSA-N 2 1 264.457 3.397 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+](C)CCC[NH+](C)C ZINC001208201316 813743005 /nfs/dbraw/zinc/74/30/05/813743005.db2.gz CKELVNZCUSRFIE-INIZCTEOSA-N 2 1 286.504 3.491 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccccc2OC)CC1 ZINC001208601943 813770737 /nfs/dbraw/zinc/77/07/37/813770737.db2.gz UFFOHMRLEIIQTC-OAHLLOKOSA-N 2 1 290.451 3.420 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001208612588 813774739 /nfs/dbraw/zinc/77/47/39/813774739.db2.gz CSNQGMSFBSNIIU-FUHWJXTLSA-N 2 1 290.426 3.174 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001208612588 813774743 /nfs/dbraw/zinc/77/47/43/813774743.db2.gz CSNQGMSFBSNIIU-FUHWJXTLSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001208612588 813774745 /nfs/dbraw/zinc/77/47/45/813774745.db2.gz CSNQGMSFBSNIIU-FUHWJXTLSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001208612588 813774748 /nfs/dbraw/zinc/77/47/48/813774748.db2.gz CSNQGMSFBSNIIU-FUHWJXTLSA-N 2 1 290.426 3.174 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C1CC1 ZINC001208683813 813793815 /nfs/dbraw/zinc/79/38/15/813793815.db2.gz MGCMFBCXEIHVSZ-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](CCC4CC4)C[C@H]3C2)cc1 ZINC001208687399 813796561 /nfs/dbraw/zinc/79/65/61/813796561.db2.gz CPVAKLQYIJGFOT-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC3(C)CCCCC3)C[C@@H]2C1 ZINC001208901470 813891598 /nfs/dbraw/zinc/89/15/98/813891598.db2.gz AAIFZJYOWDLUSQ-IYBDPMFKSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC3(C)CCCCC3)C[C@@H]2C1 ZINC001208901470 813891616 /nfs/dbraw/zinc/89/16/16/813891616.db2.gz AAIFZJYOWDLUSQ-IYBDPMFKSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CC3(C)CCCCC3)C[C@@H]2C1 ZINC001208901470 813891628 /nfs/dbraw/zinc/89/16/28/813891628.db2.gz AAIFZJYOWDLUSQ-IYBDPMFKSA-N 2 1 264.457 3.230 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3C[C@H]4CC[C@@H]3C4)C2)cc1 ZINC001208940452 813904120 /nfs/dbraw/zinc/90/41/20/813904120.db2.gz RVZUTGJXBDTWTB-IPMKNSEASA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3C[C@H]4CC[C@@H]3C4)C2)cc1 ZINC001208940452 813904123 /nfs/dbraw/zinc/90/41/23/813904123.db2.gz RVZUTGJXBDTWTB-IPMKNSEASA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3C[C@H]4CC[C@@H]3C4)C2)cc1 ZINC001208940452 813904124 /nfs/dbraw/zinc/90/41/24/813904124.db2.gz RVZUTGJXBDTWTB-IPMKNSEASA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3C[C@H]4CC[C@@H]3C4)C2)cc1 ZINC001208940452 813904126 /nfs/dbraw/zinc/90/41/26/813904126.db2.gz RVZUTGJXBDTWTB-IPMKNSEASA-N 2 1 284.447 3.383 20 0 CGADMP F[C@H]1CCCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208945292 813905551 /nfs/dbraw/zinc/90/55/51/813905551.db2.gz BTEGSDXMFNPEBY-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208945292 813905558 /nfs/dbraw/zinc/90/55/58/813905558.db2.gz BTEGSDXMFNPEBY-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208945292 813905564 /nfs/dbraw/zinc/90/55/64/813905564.db2.gz BTEGSDXMFNPEBY-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208945292 813905572 /nfs/dbraw/zinc/90/55/72/813905572.db2.gz BTEGSDXMFNPEBY-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H]1C[C@@H](CF)[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941516 813905864 /nfs/dbraw/zinc/90/58/64/813905864.db2.gz LCQFUKALAPVOQC-SZMVWBNQSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H]1C[C@@H](CF)[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941516 813905872 /nfs/dbraw/zinc/90/58/72/813905872.db2.gz LCQFUKALAPVOQC-SZMVWBNQSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H]1C[C@@H](CF)[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941516 813905880 /nfs/dbraw/zinc/90/58/80/813905880.db2.gz LCQFUKALAPVOQC-SZMVWBNQSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H]1C[C@@H](CF)[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941516 813905887 /nfs/dbraw/zinc/90/58/87/813905887.db2.gz LCQFUKALAPVOQC-SZMVWBNQSA-N 2 1 290.426 3.188 20 0 CGADMP CCC[N@@H+](CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941551 813906291 /nfs/dbraw/zinc/90/62/91/813906291.db2.gz BHEQDMFTFXYZBL-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941551 813906297 /nfs/dbraw/zinc/90/62/97/813906297.db2.gz BHEQDMFTFXYZBL-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941551 813906303 /nfs/dbraw/zinc/90/63/03/813906303.db2.gz BHEQDMFTFXYZBL-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952993 813909812 /nfs/dbraw/zinc/90/98/12/813909812.db2.gz NHTQCOZEBURAMT-MSOLQXFVSA-N 2 1 286.463 3.486 20 0 CGADMP C[NH+](C[C@@H]1CC1(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952993 813909815 /nfs/dbraw/zinc/90/98/15/813909815.db2.gz NHTQCOZEBURAMT-MSOLQXFVSA-N 2 1 286.463 3.486 20 0 CGADMP C[NH+](C[C@@H]1CC1(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952993 813909821 /nfs/dbraw/zinc/90/98/21/813909821.db2.gz NHTQCOZEBURAMT-MSOLQXFVSA-N 2 1 286.463 3.486 20 0 CGADMP COCCCC[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209219265 813971020 /nfs/dbraw/zinc/97/10/20/813971020.db2.gz FQQVJFZVYPWWIS-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235372 813977910 /nfs/dbraw/zinc/97/79/10/813977910.db2.gz OVLWTJVXSKPVHO-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](CCC34CC5CC(CC(C5)C3)C4)C[C@@H]2C1 ZINC001209448243 814048403 /nfs/dbraw/zinc/04/84/03/814048403.db2.gz YODLCQLBMOHHBS-XEOYXLTISA-N 2 1 288.479 3.086 20 0 CGADMP Cc1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001209573840 814087551 /nfs/dbraw/zinc/08/75/51/814087551.db2.gz BMFQMIMFVYTNQC-GOSISDBHSA-N 2 1 297.446 3.277 20 0 CGADMP Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)[nH]1 ZINC001209573840 814087553 /nfs/dbraw/zinc/08/75/53/814087553.db2.gz BMFQMIMFVYTNQC-GOSISDBHSA-N 2 1 297.446 3.277 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)[nH]1 ZINC001209573840 814087559 /nfs/dbraw/zinc/08/75/59/814087559.db2.gz BMFQMIMFVYTNQC-GOSISDBHSA-N 2 1 297.446 3.277 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001209573840 814087565 /nfs/dbraw/zinc/08/75/65/814087565.db2.gz BMFQMIMFVYTNQC-GOSISDBHSA-N 2 1 297.446 3.277 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001209573840 814087571 /nfs/dbraw/zinc/08/75/71/814087571.db2.gz BMFQMIMFVYTNQC-GOSISDBHSA-N 2 1 297.446 3.277 20 0 CGADMP C[C@H]1CC[N@@H+](CCCCCOCc2ccccc2)CC[NH2+]1 ZINC001210475756 814479655 /nfs/dbraw/zinc/47/96/55/814479655.db2.gz OAURHBKNHBPUNR-KRWDZBQOSA-N 2 1 290.451 3.057 20 0 CGADMP Cc1cccc(N(C)c2ccc(C[NH+]3CC(C[NH3+])C3)cc2)c1 ZINC001210545014 814517751 /nfs/dbraw/zinc/51/77/51/814517751.db2.gz NKNYRRLQZHIFGX-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH2+]CC1C[NH+](C[C@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001210560919 814526450 /nfs/dbraw/zinc/52/64/50/814526450.db2.gz DUNSDNFYKNXCIR-OAHLLOKOSA-N 2 1 274.452 3.140 20 0 CGADMP [NH3+]CCCC[C@@H]([NH3+])c1nnc(-c2ccc3ccccc3c2)o1 ZINC001217721950 815949453 /nfs/dbraw/zinc/94/94/53/815949453.db2.gz FOPVEXZYZMTMCN-OAHLLOKOSA-N 2 1 296.374 3.019 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222147912 816359792 /nfs/dbraw/zinc/35/97/92/816359792.db2.gz FANHKUPTIICXKW-LJQANCHMSA-N 2 1 295.430 3.053 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222149504 816361458 /nfs/dbraw/zinc/36/14/58/816361458.db2.gz ZOECYBSZWRZBAB-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222149504 816361464 /nfs/dbraw/zinc/36/14/64/816361464.db2.gz ZOECYBSZWRZBAB-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154903 816363501 /nfs/dbraw/zinc/36/35/01/816363501.db2.gz SLYTWQJDQMYPSW-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154903 816363508 /nfs/dbraw/zinc/36/35/08/816363508.db2.gz SLYTWQJDQMYPSW-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001222231846 816380446 /nfs/dbraw/zinc/38/04/46/816380446.db2.gz PVUXEJCWEJSQOE-YESZJQIVSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)sc1C ZINC001222252414 816387325 /nfs/dbraw/zinc/38/73/25/816387325.db2.gz CZWNPVDGCSWCQW-OAHLLOKOSA-N 2 1 264.438 3.083 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)sc1C ZINC001222252414 816387334 /nfs/dbraw/zinc/38/73/34/816387334.db2.gz CZWNPVDGCSWCQW-OAHLLOKOSA-N 2 1 264.438 3.083 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccc21 ZINC001222264521 816390215 /nfs/dbraw/zinc/39/02/15/816390215.db2.gz DCBSITPUPGZOSV-IBGZPJMESA-N 2 1 297.446 3.144 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2[nH]1 ZINC001222264887 816391364 /nfs/dbraw/zinc/39/13/64/816391364.db2.gz KHWRHUVBWMVGRV-GOSISDBHSA-N 2 1 283.419 3.134 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1 ZINC001222315228 816405987 /nfs/dbraw/zinc/40/59/87/816405987.db2.gz LISKLODSYBLQBD-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Fc1cc(F)c(C[NH+]2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001222453129 816448375 /nfs/dbraw/zinc/44/83/75/816448375.db2.gz RDILJQGXUNEGIC-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222464738 816449961 /nfs/dbraw/zinc/44/99/61/816449961.db2.gz DVYNKRVOFTZFBU-MJSXRHKHSA-N 2 1 250.430 3.341 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222464738 816449963 /nfs/dbraw/zinc/44/99/63/816449963.db2.gz DVYNKRVOFTZFBU-MJSXRHKHSA-N 2 1 250.430 3.341 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cs1 ZINC001222614805 816478801 /nfs/dbraw/zinc/47/88/01/816478801.db2.gz JLUPHGLVWDFHSI-KRWDZBQOSA-N 2 1 298.455 3.246 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c2ccccc12 ZINC001222620274 816478894 /nfs/dbraw/zinc/47/88/94/816478894.db2.gz KNANEEWZWDTULP-HNAYVOBHSA-N 2 1 280.415 3.332 20 0 CGADMP C[NH2+]Cc1ccc(-c2ccc(C[N@@H+](C)C3CC3)cn2)cc1 ZINC001242991888 823200673 /nfs/dbraw/zinc/20/06/73/823200673.db2.gz LOZBJRBESMFHPW-UHFFFAOYSA-N 2 1 281.403 3.062 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC001222630117 816484184 /nfs/dbraw/zinc/48/41/84/816484184.db2.gz ZBJHRHDFEWHLTJ-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP C[NH2+]Cc1cccc(-c2cc(C)c3[nH+]ccn3c2)c1 ZINC001242997481 823204538 /nfs/dbraw/zinc/20/45/38/823204538.db2.gz DJGFRKBGHFGQNE-UHFFFAOYSA-N 2 1 251.333 3.029 20 0 CGADMP C[NH+]1C(C)(C)CC(OC[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001224708026 816861787 /nfs/dbraw/zinc/86/17/87/816861787.db2.gz WBWOFCPNNPEQOK-CQSZACIVSA-N 2 1 282.472 3.139 20 0 CGADMP CCc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC001231502743 818115138 /nfs/dbraw/zinc/11/51/38/818115138.db2.gz XGPPQBAWCLSLRN-UHFFFAOYSA-N 2 1 278.465 3.228 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001232015003 818232748 /nfs/dbraw/zinc/23/27/48/818232748.db2.gz ZIJBWGDZFDSVAD-AWEZNQCLSA-N 2 1 292.386 3.338 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145460 818263467 /nfs/dbraw/zinc/26/34/67/818263467.db2.gz UFOPQOJHOGMTGK-ZDUSSCGKSA-N 2 1 264.388 3.262 20 0 CGADMP CC[N@@H+](Cc1ccnc(C(C)(C)C)c1)C1CCN(C)CC1 ZINC001232216066 818280479 /nfs/dbraw/zinc/28/04/79/818280479.db2.gz OGNCVWWWUQCCHC-UHFFFAOYSA-N 2 1 289.467 3.295 20 0 CGADMP CCN(Cc1ccnc(C(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001232216066 818280482 /nfs/dbraw/zinc/28/04/82/818280482.db2.gz OGNCVWWWUQCCHC-UHFFFAOYSA-N 2 1 289.467 3.295 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2ccsc2c1 ZINC001232610651 818396334 /nfs/dbraw/zinc/39/63/34/818396334.db2.gz VGMXJFOFKPANDQ-UHFFFAOYSA-N 2 1 262.422 3.285 20 0 CGADMP Cc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc(C)c1O ZINC001243307000 823337077 /nfs/dbraw/zinc/33/70/77/823337077.db2.gz ZHXAHEIUGMNUDW-UHFFFAOYSA-N 2 1 293.370 3.011 20 0 CGADMP COc1cc(C[N@H+]2CC3CCC2CC3)ccc1-n1ccnc1 ZINC001234066741 818772034 /nfs/dbraw/zinc/77/20/34/818772034.db2.gz NPSUZQPFLZYXGP-UHFFFAOYSA-N 2 1 297.402 3.255 20 0 CGADMP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2occc21 ZINC001234997271 818971771 /nfs/dbraw/zinc/97/17/71/818971771.db2.gz AJDVSKLZPIJLQR-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2occc21 ZINC001234997271 818971777 /nfs/dbraw/zinc/97/17/77/818971777.db2.gz AJDVSKLZPIJLQR-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235006624 818975626 /nfs/dbraw/zinc/97/56/26/818975626.db2.gz JIKJXTZSWZVVMM-UHFFFAOYSA-N 2 1 266.388 3.071 20 0 CGADMP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026680 818982119 /nfs/dbraw/zinc/98/21/19/818982119.db2.gz PQBSYHAIZZXSIL-PKOBYXMFSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026680 818982127 /nfs/dbraw/zinc/98/21/27/818982127.db2.gz PQBSYHAIZZXSIL-PKOBYXMFSA-N 2 1 296.389 3.286 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038300 818986605 /nfs/dbraw/zinc/98/66/05/818986605.db2.gz FRKRLHNYABBATG-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP C(C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1)C1CCCC1 ZINC001235042634 818987631 /nfs/dbraw/zinc/98/76/31/818987631.db2.gz YXBARXAQMPGBSR-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235039897 818987714 /nfs/dbraw/zinc/98/77/14/818987714.db2.gz JCMNQQBQXFMXRD-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093596 819000003 /nfs/dbraw/zinc/00/00/03/819000003.db2.gz FOSNEXCZKBIRSW-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@]23CC[NH2+]C3)C1(C)C ZINC001235111727 819006825 /nfs/dbraw/zinc/00/68/25/819006825.db2.gz SWMSWLMYUKIVTQ-DOTOQJQBSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128621 819013800 /nfs/dbraw/zinc/01/38/00/819013800.db2.gz JJLQZABIRGTMHZ-KRWDZBQOSA-N 2 1 294.483 3.213 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128621 819013806 /nfs/dbraw/zinc/01/38/06/819013806.db2.gz JJLQZABIRGTMHZ-KRWDZBQOSA-N 2 1 294.483 3.213 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235145273 819016065 /nfs/dbraw/zinc/01/60/65/819016065.db2.gz SLKQXLLZKWHPKH-UHFFFAOYSA-N 2 1 272.436 3.275 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)sc1C ZINC001235178862 819026734 /nfs/dbraw/zinc/02/67/34/819026734.db2.gz PJGAMVUGPZFHFY-INIZCTEOSA-N 2 1 278.465 3.473 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)sc1C ZINC001235178862 819026740 /nfs/dbraw/zinc/02/67/40/819026740.db2.gz PJGAMVUGPZFHFY-INIZCTEOSA-N 2 1 278.465 3.473 20 0 CGADMP Fc1cccc2c(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cccc12 ZINC001235184465 819027419 /nfs/dbraw/zinc/02/74/19/819027419.db2.gz LSADQDNMKJCKAL-HIFRSBDPSA-N 2 1 284.378 3.020 20 0 CGADMP Fc1ccccc1CCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189866 819029373 /nfs/dbraw/zinc/02/93/73/819029373.db2.gz GAKIJNORCZYKPH-UHFFFAOYSA-N 2 1 290.426 3.366 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189838 819030162 /nfs/dbraw/zinc/03/01/62/819030162.db2.gz DFGIXWZRCCRZMZ-UHFFFAOYSA-N 2 1 272.436 3.412 20 0 CGADMP CCc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)s1 ZINC001235189254 819030442 /nfs/dbraw/zinc/03/04/42/819030442.db2.gz FMKHVNGBOHATCJ-UHFFFAOYSA-N 2 1 278.465 3.419 20 0 CGADMP CC1(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CCCCC1 ZINC001235224763 819040825 /nfs/dbraw/zinc/04/08/25/819040825.db2.gz OESZSVIIJLIDRD-JSGCOSHPSA-N 2 1 290.373 3.041 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001235240095 819044096 /nfs/dbraw/zinc/04/40/96/819044096.db2.gz MMHQNSKANIFMSZ-TXCZRRACSA-N 2 1 290.838 3.257 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001235240097 819044418 /nfs/dbraw/zinc/04/44/18/819044418.db2.gz MMHQNSKANIFMSZ-XOSAIJSUSA-N 2 1 290.838 3.257 20 0 CGADMP CC(C)(CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC001235241422 819046531 /nfs/dbraw/zinc/04/65/31/819046531.db2.gz UKIHJLCSWLFAIV-SJLPKXTDSA-N 2 1 272.436 3.168 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)c(-c2ccccc2)c1 ZINC001235255180 819052407 /nfs/dbraw/zinc/05/24/07/819052407.db2.gz LOQBKLXKUUYZKQ-BXWFABGCSA-N 2 1 296.389 3.414 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235256775 819052737 /nfs/dbraw/zinc/05/27/37/819052737.db2.gz TTWUNUWXNHWMTB-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235262761 819055937 /nfs/dbraw/zinc/05/59/37/819055937.db2.gz SJMAQWHGUCLIFH-IUODEOHRSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235262761 819055942 /nfs/dbraw/zinc/05/59/42/819055942.db2.gz SJMAQWHGUCLIFH-IUODEOHRSA-N 2 1 272.417 3.003 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3cccc4c5ccccc5sc43)C[C@@H]12 ZINC001235283886 819061465 /nfs/dbraw/zinc/06/14/65/819061465.db2.gz IGMDXVXUZMEJFB-SCAQPMJSSA-N 2 1 294.423 3.443 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422235 819093485 /nfs/dbraw/zinc/09/34/85/819093485.db2.gz AJSGPSISANRZIX-DOTOQJQBSA-N 2 1 290.426 3.346 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429822 819094837 /nfs/dbraw/zinc/09/48/37/819094837.db2.gz ROHYSTOQCYUMDB-MOPGFXCFSA-N 2 1 286.463 3.461 20 0 CGADMP C[N@H+](Cc1c(F)cc(Cl)cc1F)CC1CC[NH2+]CC1 ZINC001235433045 819096042 /nfs/dbraw/zinc/09/60/42/819096042.db2.gz FNNRZPOSQAMHJT-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP C[N@H+](Cc1ccc2cccccc1-2)CC1CC[NH2+]CC1 ZINC001235433513 819096539 /nfs/dbraw/zinc/09/65/39/819096539.db2.gz XWYMPUSAVIEOOM-UHFFFAOYSA-N 2 1 268.404 3.223 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433480 819096647 /nfs/dbraw/zinc/09/66/47/819096647.db2.gz XNWFJHJEKCEZHM-UHFFFAOYSA-N 2 1 284.806 3.219 20 0 CGADMP C[N@@H+](CCCc1ccccc1Cl)CC1CC[NH2+]CC1 ZINC001235433645 819096829 /nfs/dbraw/zinc/09/68/29/819096829.db2.gz QNTSNILDTFCRJS-UHFFFAOYSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1C(F)(F)F ZINC001235435704 819099739 /nfs/dbraw/zinc/09/97/39/819099739.db2.gz VAFMROFIJPZJLH-UHFFFAOYSA-N 2 1 280.721 3.139 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1C(F)(F)F ZINC001235435704 819099748 /nfs/dbraw/zinc/09/97/48/819099748.db2.gz VAFMROFIJPZJLH-UHFFFAOYSA-N 2 1 280.721 3.139 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc2c3ccccc3oc21 ZINC001235435738 819100343 /nfs/dbraw/zinc/10/03/43/819100343.db2.gz XEKMSHWZWRYWTJ-UHFFFAOYSA-N 2 1 268.360 3.367 20 0 CGADMP C[N@H+](Cc1ccccc1-c1ccncc1)C1CC[NH+](C)CC1 ZINC001235608639 819125606 /nfs/dbraw/zinc/12/56/06/819125606.db2.gz OORAAJAGHHXVMF-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP C[N@@H+](Cc1ccccc1-c1ccncc1)C1CC[NH+](C)CC1 ZINC001235608639 819125609 /nfs/dbraw/zinc/12/56/09/819125609.db2.gz OORAAJAGHHXVMF-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1Cl ZINC001235673747 819133952 /nfs/dbraw/zinc/13/39/52/819133952.db2.gz CXQYPWCAIKFWFT-ZDUSSCGKSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1Cl ZINC001235673747 819133958 /nfs/dbraw/zinc/13/39/58/819133958.db2.gz CXQYPWCAIKFWFT-ZDUSSCGKSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(C)c1Cl ZINC001235675164 819135065 /nfs/dbraw/zinc/13/50/65/819135065.db2.gz JYYJEUDFVXORQN-ZDUSSCGKSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(C)c1Cl ZINC001235675164 819135068 /nfs/dbraw/zinc/13/50/68/819135068.db2.gz JYYJEUDFVXORQN-ZDUSSCGKSA-N 2 1 266.816 3.128 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001235675121 819135439 /nfs/dbraw/zinc/13/54/39/819135439.db2.gz JCGHQGUESFMZAF-MRXNPFEDSA-N 2 1 292.426 3.429 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC001235674494 819135860 /nfs/dbraw/zinc/13/58/60/819135860.db2.gz UDBSNUOVIZPGFY-CYBMUJFWSA-N 2 1 266.454 3.261 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001235673996 819135872 /nfs/dbraw/zinc/13/58/72/819135872.db2.gz KIFOMMOWNXETQW-KBMXLJTQSA-N 2 1 294.389 3.314 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001235673996 819135876 /nfs/dbraw/zinc/13/58/76/819135876.db2.gz KIFOMMOWNXETQW-KBMXLJTQSA-N 2 1 294.389 3.314 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1Cl ZINC001235676981 819136614 /nfs/dbraw/zinc/13/66/14/819136614.db2.gz VDYGAGAAEBNQOQ-CYBMUJFWSA-N 2 1 266.816 3.073 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1Cl ZINC001235676981 819136615 /nfs/dbraw/zinc/13/66/15/819136615.db2.gz VDYGAGAAEBNQOQ-CYBMUJFWSA-N 2 1 266.816 3.073 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001235679854 819139501 /nfs/dbraw/zinc/13/95/01/819139501.db2.gz OKTRJSCHIVVBKX-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001235679854 819139506 /nfs/dbraw/zinc/13/95/06/819139506.db2.gz OKTRJSCHIVVBKX-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP Fc1ccc(F)c([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC001235712911 819148490 /nfs/dbraw/zinc/14/84/90/819148490.db2.gz DCUXHZQMLSBEPV-GUYCJALGSA-N 2 1 294.389 3.491 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235712024 819148690 /nfs/dbraw/zinc/14/86/90/819148690.db2.gz XZCOCXVFCXTDJZ-NVXWUHKLSA-N 2 1 288.435 3.364 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(-n2cccc2)cc1 ZINC001235716917 819149823 /nfs/dbraw/zinc/14/98/23/819149823.db2.gz MUVMXFBIIXXCCA-UHFFFAOYSA-N 2 1 297.446 3.299 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)CCC3CC[NH2+]CC3)cccc2n1 ZINC001235717116 819150225 /nfs/dbraw/zinc/15/02/25/819150225.db2.gz DQRNTXUXNONTTJ-UHFFFAOYSA-N 2 1 297.446 3.365 20 0 CGADMP COc1cccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1Cl ZINC001235717127 819150411 /nfs/dbraw/zinc/15/04/11/819150411.db2.gz DXGZREHILQXSRN-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc2ccoc21 ZINC001235717751 819152403 /nfs/dbraw/zinc/15/24/03/819152403.db2.gz LMDPXWDYOAEBMH-UHFFFAOYSA-N 2 1 272.392 3.254 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(OCC)c1 ZINC001235805170 819172048 /nfs/dbraw/zinc/17/20/48/819172048.db2.gz GYEGATKTIQSNBE-UHFFFAOYSA-N 2 1 296.430 3.388 20 0 CGADMP C[N@@H+](Cc1cc(Cl)c(F)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001235843522 819185034 /nfs/dbraw/zinc/18/50/34/819185034.db2.gz XXLBFVDFTIJOAB-VIFPVBQESA-N 2 1 291.197 3.174 20 0 CGADMP C[N@H+](Cc1cc(Cl)c(F)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001235843522 819185036 /nfs/dbraw/zinc/18/50/36/819185036.db2.gz XXLBFVDFTIJOAB-VIFPVBQESA-N 2 1 291.197 3.174 20 0 CGADMP c1c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001235858383 819187917 /nfs/dbraw/zinc/18/79/17/819187917.db2.gz ZSSTVGGTTXIQBL-HIFRSBDPSA-N 2 1 290.476 3.406 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001235866341 819190621 /nfs/dbraw/zinc/19/06/21/819190621.db2.gz IUJOUPXOCDSMPM-DLBZAZTESA-N 2 1 276.468 3.421 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc2ccccc21 ZINC001235928899 819227682 /nfs/dbraw/zinc/22/76/82/819227682.db2.gz FIQAEZRLSPBXOR-BPQIPLTHSA-N 2 1 294.442 3.485 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235934388 819231178 /nfs/dbraw/zinc/23/11/78/819231178.db2.gz MZZAPRKNIBRQNF-GOEBONIOSA-N 2 1 276.399 3.005 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235937603 819232240 /nfs/dbraw/zinc/23/22/40/819232240.db2.gz JERWBVHWMKPFHB-DLBZAZTESA-N 2 1 280.415 3.190 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)s1 ZINC001235950807 819241021 /nfs/dbraw/zinc/24/10/21/819241021.db2.gz NIGUUGUKAABAAG-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235951751 819241611 /nfs/dbraw/zinc/24/16/11/819241611.db2.gz SECLZFBAYURVCU-HNNXBMFYSA-N 2 1 285.435 3.093 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001235952495 819242924 /nfs/dbraw/zinc/24/29/24/819242924.db2.gz YBWINFFGJRSRQZ-MRXNPFEDSA-N 2 1 290.451 3.052 20 0 CGADMP CCC(CC)[N@@H+](CC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235962159 819250785 /nfs/dbraw/zinc/25/07/85/819250785.db2.gz FZCLOEWBDPXGEE-UHFFFAOYSA-N 2 1 260.425 3.343 20 0 CGADMP CC[C@@H](C)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973755 819255086 /nfs/dbraw/zinc/25/50/86/819255086.db2.gz MOJDSQATCLJCJK-OAHLLOKOSA-N 2 1 272.436 3.170 20 0 CGADMP c1cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cs1 ZINC001235975224 819256241 /nfs/dbraw/zinc/25/62/41/819256241.db2.gz RQOOJJYFPIDSEA-UHFFFAOYSA-N 2 1 298.455 3.385 20 0 CGADMP c1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cs1 ZINC001235975224 819256248 /nfs/dbraw/zinc/25/62/48/819256248.db2.gz RQOOJJYFPIDSEA-UHFFFAOYSA-N 2 1 298.455 3.385 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235986986 819260944 /nfs/dbraw/zinc/26/09/44/819260944.db2.gz DAAJYVFYUGHXPP-RTBURBONSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235986986 819260950 /nfs/dbraw/zinc/26/09/50/819260950.db2.gz DAAJYVFYUGHXPP-RTBURBONSA-N 2 1 278.399 3.277 20 0 CGADMP Cc1sccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011963 819275775 /nfs/dbraw/zinc/27/57/75/819275775.db2.gz ZTVOZEIKSFVKEF-MSOLQXFVSA-N 2 1 298.455 3.030 20 0 CGADMP FC1(C[N@H+]2CCC[C@@H]2C2CCCCC2)CC[NH2+]CC1 ZINC001236042554 819280883 /nfs/dbraw/zinc/28/08/83/819280883.db2.gz QEUGUNNUBMBDTA-OAHLLOKOSA-N 2 1 268.420 3.123 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC001236065671 819297462 /nfs/dbraw/zinc/29/74/62/819297462.db2.gz CGFWMRRLIXQXAQ-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236207170 819370422 /nfs/dbraw/zinc/37/04/22/819370422.db2.gz MSMLYUOKHBLBOL-GOSISDBHSA-N 2 1 285.435 3.235 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236207170 819370427 /nfs/dbraw/zinc/37/04/27/819370427.db2.gz MSMLYUOKHBLBOL-GOSISDBHSA-N 2 1 285.435 3.235 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210276 819371337 /nfs/dbraw/zinc/37/13/37/819371337.db2.gz AKRRRXHJEWYQIQ-SJORKVTESA-N 2 1 276.424 3.177 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210276 819371340 /nfs/dbraw/zinc/37/13/40/819371340.db2.gz AKRRRXHJEWYQIQ-SJORKVTESA-N 2 1 276.424 3.177 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(Cl)cc2OC)CC1 ZINC001236214873 819378460 /nfs/dbraw/zinc/37/84/60/819378460.db2.gz JAXAKUYRKOPMQM-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219192 819385357 /nfs/dbraw/zinc/38/53/57/819385357.db2.gz VMRUIDVOVGCUJN-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219192 819385360 /nfs/dbraw/zinc/38/53/60/819385360.db2.gz VMRUIDVOVGCUJN-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1c(F)ccc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001236222085 819387960 /nfs/dbraw/zinc/38/79/60/819387960.db2.gz FZYGLZNWJVLPQI-JOCQHMNTSA-N 2 1 284.806 3.489 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227769 819392100 /nfs/dbraw/zinc/39/21/00/819392100.db2.gz MEVACOYTRLIGAM-VFPGXZCRSA-N 2 1 272.436 3.415 20 0 CGADMP COc1cc(C)c(C[NH+]2CCC[NH2+]CCC2)cc1C(C)C ZINC001236240750 819399767 /nfs/dbraw/zinc/39/97/67/819399767.db2.gz UKJYWKDQPJEGDS-UHFFFAOYSA-N 2 1 290.451 3.312 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268217 819410535 /nfs/dbraw/zinc/41/05/35/819410535.db2.gz BOSWHDDIGBQXIN-HNNXBMFYSA-N 2 1 278.465 3.122 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268217 819410539 /nfs/dbraw/zinc/41/05/39/819410539.db2.gz BOSWHDDIGBQXIN-HNNXBMFYSA-N 2 1 278.465 3.122 20 0 CGADMP CC[N@H+](Cc1ccc(-c2ccccc2)o1)C[C@@H]1CC[NH2+]C1 ZINC001236407094 819455013 /nfs/dbraw/zinc/45/50/13/819455013.db2.gz BPMUTARBCBSMIU-OAHLLOKOSA-N 2 1 284.403 3.378 20 0 CGADMP CC/C=C\CCCCC[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236409216 819456362 /nfs/dbraw/zinc/45/63/62/819456362.db2.gz ZFIXKFGJHGQXOW-KJPDOMRESA-N 2 1 252.446 3.444 20 0 CGADMP CC[N@H+](Cc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407969 819456792 /nfs/dbraw/zinc/45/67/92/819456792.db2.gz KQZAMEPRTYBFPA-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP CC[N@H+](Cc1cccc(OC(C)(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236412486 819458740 /nfs/dbraw/zinc/45/87/40/819458740.db2.gz VNELLRKLGSBYAZ-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@@H+](Cc1cccc2c3ccccc3oc21)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236416682 819462209 /nfs/dbraw/zinc/46/22/09/819462209.db2.gz WBOJIFYMBDMNQG-VQFNDLOPSA-N 2 1 292.382 3.236 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236417053 819462619 /nfs/dbraw/zinc/46/26/19/819462619.db2.gz WPKCVJLTWYHFNB-JKSUJKDBSA-N 2 1 298.471 3.092 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236433867 819476897 /nfs/dbraw/zinc/47/68/97/819476897.db2.gz IWRZLFSIGRZRKX-LSDHHAIUSA-N 2 1 256.409 3.132 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236433664 819477107 /nfs/dbraw/zinc/47/71/07/819477107.db2.gz GTKQTTFCHPMRSB-SFHVURJKSA-N 2 1 298.361 3.459 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236433664 819477109 /nfs/dbraw/zinc/47/71/09/819477109.db2.gz GTKQTTFCHPMRSB-SFHVURJKSA-N 2 1 298.361 3.459 20 0 CGADMP CC(C)(C)C[N@@H+](CCc1ccccc1F)C1CC[NH2+]CC1 ZINC001236453489 819484775 /nfs/dbraw/zinc/48/47/75/819484775.db2.gz CRJFQBWICLRHJH-UHFFFAOYSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236500124 819505915 /nfs/dbraw/zinc/50/59/15/819505915.db2.gz VUGGUTNBWVASFN-JSGCOSHPSA-N 2 1 294.389 3.175 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C[C@@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236518097 819511425 /nfs/dbraw/zinc/51/14/25/819511425.db2.gz PMRQVKUUMSYJPS-BBRMVZONSA-N 2 1 290.426 3.344 20 0 CGADMP Fc1cccc(CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584628 819545437 /nfs/dbraw/zinc/54/54/37/819545437.db2.gz MMEZAPIMAWKWIU-INIZCTEOSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001236592509 819547500 /nfs/dbraw/zinc/54/75/00/819547500.db2.gz BRKMORUONJKNBG-JKSUJKDBSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001236592509 819547506 /nfs/dbraw/zinc/54/75/06/819547506.db2.gz BRKMORUONJKNBG-JKSUJKDBSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001236592509 819547509 /nfs/dbraw/zinc/54/75/09/819547509.db2.gz BRKMORUONJKNBG-JKSUJKDBSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001236592509 819547513 /nfs/dbraw/zinc/54/75/13/819547513.db2.gz BRKMORUONJKNBG-JKSUJKDBSA-N 2 1 291.439 3.130 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001236606132 819550566 /nfs/dbraw/zinc/55/05/66/819550566.db2.gz ZYTGOMACIADUKY-CQSZACIVSA-N 2 1 287.234 3.207 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001236606132 819550570 /nfs/dbraw/zinc/55/05/70/819550570.db2.gz ZYTGOMACIADUKY-CQSZACIVSA-N 2 1 287.234 3.207 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC001236817238 819605690 /nfs/dbraw/zinc/60/56/90/819605690.db2.gz AMUUBVUPZJYUEC-MAZHCROVSA-N 2 1 278.465 3.260 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1C(F)(F)F ZINC001236827245 819609572 /nfs/dbraw/zinc/60/95/72/819609572.db2.gz DODWMLWCZGRFJS-GZBFAFLISA-N 2 1 298.352 3.183 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]12 ZINC001236831463 819611533 /nfs/dbraw/zinc/61/15/33/819611533.db2.gz RILBLFWCOAXVDT-RCCFBDPRSA-N 2 1 270.420 3.123 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001236832350 819611789 /nfs/dbraw/zinc/61/17/89/819611789.db2.gz VARKZTODKIHDGU-NWANDNLSSA-N 2 1 278.827 3.126 20 0 CGADMP CCC[N@H+](Cc1cc(C)cc(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236833389 819612737 /nfs/dbraw/zinc/61/27/37/819612737.db2.gz ANBJUEHCSGPIPD-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP CCCOc1ccccc1C[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236834265 819613217 /nfs/dbraw/zinc/61/32/17/819613217.db2.gz GGWVDODAXXKUHG-INIZCTEOSA-N 2 1 290.451 3.297 20 0 CGADMP CCC[N@@H+](Cc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236835346 819615505 /nfs/dbraw/zinc/61/55/05/819615505.db2.gz LSSUSHQSRJAJTO-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[N@H+](Cc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236835346 819615506 /nfs/dbraw/zinc/61/55/06/819615506.db2.gz LSSUSHQSRJAJTO-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[N@H+](Cc1c(C)cccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836552 819617179 /nfs/dbraw/zinc/61/71/79/819617179.db2.gz XFPAHFPWAPRWLJ-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP CCC[N@H+](Cc1ccccc1SC)C[C@H]1CC[NH2+]C1 ZINC001236843368 819619001 /nfs/dbraw/zinc/61/90/01/819619001.db2.gz NNJYHBZUSWAPKB-AWEZNQCLSA-N 2 1 278.465 3.230 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001237059864 819657246 /nfs/dbraw/zinc/65/72/46/819657246.db2.gz WPFFNBIKFXJJGP-SFHVURJKSA-N 2 1 268.404 3.401 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001237080630 819661756 /nfs/dbraw/zinc/66/17/56/819661756.db2.gz HEYCVQNJWOZAHB-GOSISDBHSA-N 2 1 283.419 3.038 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083196 819663727 /nfs/dbraw/zinc/66/37/27/819663727.db2.gz XAFPSRLVAUCWFK-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083196 819663730 /nfs/dbraw/zinc/66/37/30/819663730.db2.gz XAFPSRLVAUCWFK-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP c1cc2cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC001237142853 819677191 /nfs/dbraw/zinc/67/71/91/819677191.db2.gz CELZJLAZAFHYOZ-KRWDZBQOSA-N 2 1 283.419 3.274 20 0 CGADMP c1cc2cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC001237142853 819677194 /nfs/dbraw/zinc/67/71/94/819677194.db2.gz CELZJLAZAFHYOZ-KRWDZBQOSA-N 2 1 283.419 3.274 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237147856 819680204 /nfs/dbraw/zinc/68/02/04/819680204.db2.gz YMPFWYGOMJZYRK-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237147856 819680205 /nfs/dbraw/zinc/68/02/05/819680205.db2.gz YMPFWYGOMJZYRK-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203682 819698161 /nfs/dbraw/zinc/69/81/61/819698161.db2.gz KAMDJWVZXQBGFA-ZNMIVQPWSA-N 2 1 270.461 3.029 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203682 819698163 /nfs/dbraw/zinc/69/81/63/819698163.db2.gz KAMDJWVZXQBGFA-ZNMIVQPWSA-N 2 1 270.461 3.029 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381302 819737704 /nfs/dbraw/zinc/73/77/04/819737704.db2.gz ISPRYLIWFXHWNZ-FUHWJXTLSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381302 819737709 /nfs/dbraw/zinc/73/77/09/819737709.db2.gz ISPRYLIWFXHWNZ-FUHWJXTLSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237387943 819740220 /nfs/dbraw/zinc/74/02/20/819740220.db2.gz CHSOUWCFYJRMDS-AEFFLSMTSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237387943 819740222 /nfs/dbraw/zinc/74/02/22/819740222.db2.gz CHSOUWCFYJRMDS-AEFFLSMTSA-N 2 1 288.435 3.048 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1C ZINC001237405752 819745833 /nfs/dbraw/zinc/74/58/33/819745833.db2.gz RSLXCGUKTSCETQ-AEFFLSMTSA-N 2 1 272.436 3.186 20 0 CGADMP c1cc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2o1 ZINC001237417789 819748222 /nfs/dbraw/zinc/74/82/22/819748222.db2.gz UZBBGXWSNGPBAM-HOCLYGCPSA-N 2 1 270.376 3.007 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001238117180 819939052 /nfs/dbraw/zinc/93/90/52/819939052.db2.gz XJBCBVHARWQFRV-HUUCEWRRSA-N 2 1 269.392 3.346 20 0 CGADMP [NH3+]Cc1cncc(-c2ccc3c(c2)[nH]c2cc[nH+]cc23)c1 ZINC001239803957 820618014 /nfs/dbraw/zinc/61/80/14/820618014.db2.gz LGLLDPKOVIAWJP-UHFFFAOYSA-N 2 1 274.327 3.237 20 0 CGADMP C[N@H+]1CCCC[C@H]1c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001242021276 822284797 /nfs/dbraw/zinc/28/47/97/822284797.db2.gz FAKYAQJITISGGJ-RYRKJORJSA-N 2 1 283.419 3.146 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001242096475 822350524 /nfs/dbraw/zinc/35/05/24/822350524.db2.gz OLXSFYKLLKHKJH-UHFFFAOYSA-N 2 1 285.366 3.374 20 0 CGADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cc2ccccc2[nH]1 ZINC001341476734 936439668 /nfs/dbraw/zinc/43/96/68/936439668.db2.gz YFQDPVATPHFUAC-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cc2ccccc2[nH]1 ZINC001341476734 936439670 /nfs/dbraw/zinc/43/96/70/936439670.db2.gz YFQDPVATPHFUAC-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cc2ccccc2[nH]1 ZINC001341476734 936439672 /nfs/dbraw/zinc/43/96/72/936439672.db2.gz YFQDPVATPHFUAC-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cc2ccccc2[nH]1 ZINC001341476734 936439674 /nfs/dbraw/zinc/43/96/74/936439674.db2.gz YFQDPVATPHFUAC-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001349910394 936968354 /nfs/dbraw/zinc/96/83/54/936968354.db2.gz CEYFPEDUXKJDOZ-OAHLLOKOSA-N 2 1 288.439 3.052 20 0 CGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001350399622 936990840 /nfs/dbraw/zinc/99/08/40/936990840.db2.gz XDKWXMNSBBVMNK-SJORKVTESA-N 2 1 272.436 3.440 20 0 CGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001350637013 936997276 /nfs/dbraw/zinc/99/72/76/936997276.db2.gz VVEYHRKAHJKACR-RYRKJORJSA-N 2 1 272.436 3.254 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@H]2C1 ZINC001352111916 937037023 /nfs/dbraw/zinc/03/70/23/937037023.db2.gz JLYVVZMMMIVCNE-JGGQBBKZSA-N 2 1 294.389 3.127 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)CCc1ccccc1 ZINC000088243312 926734054 /nfs/dbraw/zinc/73/40/54/926734054.db2.gz ADTTZYQQPHHGFK-UHFFFAOYSA-N 2 1 274.452 3.473 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CCCCC1 ZINC000921486260 927621793 /nfs/dbraw/zinc/62/17/93/927621793.db2.gz GWMDXWXHCGJRMF-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001323977316 928085393 /nfs/dbraw/zinc/08/53/93/928085393.db2.gz NWPYLLKMKPWEIU-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001460304575 937525965 /nfs/dbraw/zinc/52/59/65/937525965.db2.gz LQXMJWPXPWSAFQ-CABCVRRESA-N 2 1 261.413 3.028 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC001460558185 937534270 /nfs/dbraw/zinc/53/42/70/937534270.db2.gz GKOGOXQVRCRICP-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC001460558185 937534271 /nfs/dbraw/zinc/53/42/71/937534271.db2.gz GKOGOXQVRCRICP-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC001460558185 937534273 /nfs/dbraw/zinc/53/42/73/937534273.db2.gz GKOGOXQVRCRICP-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC001460558185 937534274 /nfs/dbraw/zinc/53/42/74/937534274.db2.gz GKOGOXQVRCRICP-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2C=CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001460713311 937541902 /nfs/dbraw/zinc/54/19/02/937541902.db2.gz ZCXBGNPZARWBRI-DLBZAZTESA-N 2 1 285.435 3.481 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001461144247 937566459 /nfs/dbraw/zinc/56/64/59/937566459.db2.gz VMJCTZYYESARGN-HRCADAONSA-N 2 1 252.446 3.299 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001461144247 937566460 /nfs/dbraw/zinc/56/64/60/937566460.db2.gz VMJCTZYYESARGN-HRCADAONSA-N 2 1 252.446 3.299 20 0 CGADMP C[C@@H](c1cccc(OC2CC[NH+](CCF)CC2)c1)[NH+](C)C ZINC001229624154 932179944 /nfs/dbraw/zinc/17/99/44/932179944.db2.gz AOZDONPUYZQHEV-AWEZNQCLSA-N 2 1 294.414 3.122 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001462321721 937632751 /nfs/dbraw/zinc/63/27/51/937632751.db2.gz YAQAWGKHWSZRQA-MSOLQXFVSA-N 2 1 297.531 3.018 20 0 CGADMP CC(C)C[C@H](C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001307498160 932961662 /nfs/dbraw/zinc/96/16/62/932961662.db2.gz GLFPUSRTSZICMW-JKSUJKDBSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[C@H](C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001307498160 932961667 /nfs/dbraw/zinc/96/16/67/932961667.db2.gz GLFPUSRTSZICMW-JKSUJKDBSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[C@H](C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001307498160 932961671 /nfs/dbraw/zinc/96/16/71/932961671.db2.gz GLFPUSRTSZICMW-JKSUJKDBSA-N 2 1 254.462 3.475 20 0 CGADMP CCCCC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC001307949545 933023494 /nfs/dbraw/zinc/02/34/94/933023494.db2.gz HFQBSJZRNPVNMB-SJORKVTESA-N 2 1 284.488 3.122 20 0 CGADMP CCCCC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC001307949545 933023497 /nfs/dbraw/zinc/02/34/97/933023497.db2.gz HFQBSJZRNPVNMB-SJORKVTESA-N 2 1 284.488 3.122 20 0 CGADMP CCCCC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001307949545 933023501 /nfs/dbraw/zinc/02/35/01/933023501.db2.gz HFQBSJZRNPVNMB-SJORKVTESA-N 2 1 284.488 3.122 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307986562 933031126 /nfs/dbraw/zinc/03/11/26/933031126.db2.gz AVAAWKPBFKKUFJ-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307986562 933031128 /nfs/dbraw/zinc/03/11/28/933031128.db2.gz AVAAWKPBFKKUFJ-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307986562 933031132 /nfs/dbraw/zinc/03/11/32/933031132.db2.gz AVAAWKPBFKKUFJ-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCSC(C)(C)C ZINC001308089849 933045806 /nfs/dbraw/zinc/04/58/06/933045806.db2.gz OOIJGNNOYDYYTP-CQSZACIVSA-N 2 1 293.480 3.124 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC001308186051 933068423 /nfs/dbraw/zinc/06/84/23/933068423.db2.gz OWDYQHVUNJZATC-UHFFFAOYSA-N 2 1 278.440 3.461 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCc1ccc(F)c(F)c1 ZINC001308745900 933168068 /nfs/dbraw/zinc/16/80/68/933168068.db2.gz HWEYRJVXJXXLTK-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCc1ccc(F)c(F)c1 ZINC001308745900 933168071 /nfs/dbraw/zinc/16/80/71/933168071.db2.gz HWEYRJVXJXXLTK-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308745900 933168072 /nfs/dbraw/zinc/16/80/72/933168072.db2.gz HWEYRJVXJXXLTK-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308745900 933168074 /nfs/dbraw/zinc/16/80/74/933168074.db2.gz HWEYRJVXJXXLTK-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCCCC1 ZINC001308777191 933175632 /nfs/dbraw/zinc/17/56/32/933175632.db2.gz DESPOXDFZYTFKG-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1cccc(Cl)c1 ZINC001308824317 933184308 /nfs/dbraw/zinc/18/43/08/933184308.db2.gz GEXUYGXYYDMWIO-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@]2(C)C1 ZINC001308961392 933214448 /nfs/dbraw/zinc/21/44/48/933214448.db2.gz UUOKXOVXOCYWEX-MOPGFXCFSA-N 2 1 284.447 3.338 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@]2(C)C1 ZINC001308961392 933214455 /nfs/dbraw/zinc/21/44/55/933214455.db2.gz UUOKXOVXOCYWEX-MOPGFXCFSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@]2(C)C1 ZINC001308961392 933214460 /nfs/dbraw/zinc/21/44/60/933214460.db2.gz UUOKXOVXOCYWEX-MOPGFXCFSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@]2(C)C1 ZINC001308961392 933214465 /nfs/dbraw/zinc/21/44/65/933214465.db2.gz UUOKXOVXOCYWEX-MOPGFXCFSA-N 2 1 284.447 3.338 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC001319753568 933926519 /nfs/dbraw/zinc/92/65/19/933926519.db2.gz DYTUSORCFPNMPE-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC001321090255 934148318 /nfs/dbraw/zinc/14/83/18/934148318.db2.gz JQBMNQYQLMNPIO-LXTVHRRPSA-N 2 1 284.513 3.369 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322641881 934322033 /nfs/dbraw/zinc/32/20/33/934322033.db2.gz DKDMJZDGUQSMHZ-MGPQQGTHSA-N 2 1 272.502 3.369 20 0 CGADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1F ZINC001323281305 934379428 /nfs/dbraw/zinc/37/94/28/934379428.db2.gz CISYVYFRUZYZPZ-UHFFFAOYSA-N 2 1 294.414 3.139 20 0 CGADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1F ZINC001323281305 934379439 /nfs/dbraw/zinc/37/94/39/934379439.db2.gz CISYVYFRUZYZPZ-UHFFFAOYSA-N 2 1 294.414 3.139 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCc1ccc(F)cc1 ZINC001323565317 934408248 /nfs/dbraw/zinc/40/82/48/934408248.db2.gz AUGGLTLWJADFRA-CABCVRRESA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCc1ccc(F)cc1 ZINC001323565317 934408252 /nfs/dbraw/zinc/40/82/52/934408252.db2.gz AUGGLTLWJADFRA-CABCVRRESA-N 2 1 278.415 3.078 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2cccn2C2CC2)CC1 ZINC001324426540 934503624 /nfs/dbraw/zinc/50/36/24/934503624.db2.gz WSAABPAVPKJAPT-UHFFFAOYSA-N 2 1 275.440 3.035 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473133662 937793513 /nfs/dbraw/zinc/79/35/13/937793513.db2.gz ZPHIIDUEIUNPIQ-NVXWUHKLSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC001473148935 937794440 /nfs/dbraw/zinc/79/44/40/937794440.db2.gz HGPMACYVJGSFMD-MSOLQXFVSA-N 2 1 278.484 3.475 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC001325218124 934896206 /nfs/dbraw/zinc/89/62/06/934896206.db2.gz TXTKRRGROFGPJE-PMPSAXMXSA-N 2 1 270.436 3.226 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC001325721624 934924827 /nfs/dbraw/zinc/92/48/27/934924827.db2.gz KGYNLQQBNTVJQZ-DGCLKSJQSA-N 2 1 290.407 3.398 20 0 CGADMP c1ccc([C@@]23CCCC[C@@H]2C[N@@H+]3CC2CC[NH2+]CC2)cc1 ZINC001326230688 934961469 /nfs/dbraw/zinc/96/14/69/934961469.db2.gz DMGFHKJHZMYKEG-MOPGFXCFSA-N 2 1 284.447 3.387 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC001327772262 935083738 /nfs/dbraw/zinc/08/37/38/935083738.db2.gz KFTIYBRXDNURCO-OAHLLOKOSA-N 2 1 288.439 3.196 20 0 CGADMP CC[NH+](C/C=C/C[N@H+](CC)CC(C)C)CC(C)C ZINC001327864517 935091410 /nfs/dbraw/zinc/09/14/10/935091410.db2.gz OUXJBJSIHRWSFX-MDZDMXLPSA-N 2 1 254.462 3.498 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC001330015957 935261015 /nfs/dbraw/zinc/26/10/15/935261015.db2.gz KCKQXPWIODBORG-HZPDHXFCSA-N 2 1 298.833 3.484 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC001330070845 935265388 /nfs/dbraw/zinc/26/53/88/935265388.db2.gz UWQCXKNBLQTLCJ-WMLDXEAASA-N 2 1 288.435 3.091 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001330327699 935286173 /nfs/dbraw/zinc/28/61/73/935286173.db2.gz KQLGZFGZMNPPIR-LJQANCHMSA-N 2 1 295.430 3.465 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccn3C3CC3)C2)CC1 ZINC001330535358 935294657 /nfs/dbraw/zinc/29/46/57/935294657.db2.gz GJRZLYKMSBHSQN-UHFFFAOYSA-N 2 1 287.451 3.131 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC001331833196 935413126 /nfs/dbraw/zinc/41/31/26/935413126.db2.gz GWVSYIRELWPAJH-GHMZBOCLSA-N 2 1 290.329 3.234 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2C1 ZINC001335150098 936132088 /nfs/dbraw/zinc/13/20/88/936132088.db2.gz PKKXQCMYDIPVLQ-RCCFBDPRSA-N 2 1 297.446 3.330 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]2C1 ZINC001335584975 936154830 /nfs/dbraw/zinc/15/48/30/936154830.db2.gz ZDJGDNFNYMSJIM-GVDBMIGSSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1cc(F)cc(N[C@H](CC[NH+](C)C)c2cccnc2)[nH+]1 ZINC001336712827 936209492 /nfs/dbraw/zinc/20/94/92/936209492.db2.gz NLUNHTULENWVFJ-OAHLLOKOSA-N 2 1 288.370 3.029 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC001473760032 937820828 /nfs/dbraw/zinc/82/08/28/937820828.db2.gz VGSHPGVBOXIYHF-WCXIOVBPSA-N 2 1 285.435 3.028 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC001473915494 937830136 /nfs/dbraw/zinc/83/01/36/937830136.db2.gz APFBPVGGKUKOPW-ZIAGYGMSSA-N 2 1 270.486 3.125 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001474201123 937843558 /nfs/dbraw/zinc/84/35/58/937843558.db2.gz ZQWLGQSLBYOCHN-ZSHCYNCHSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(C)cc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC001474320526 937850843 /nfs/dbraw/zinc/85/08/43/937850843.db2.gz IKYOXVIFSJHPMW-RBUKOAKNSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001474320526 937850844 /nfs/dbraw/zinc/85/08/44/937850844.db2.gz IKYOXVIFSJHPMW-RBUKOAKNSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001474320526 937850847 /nfs/dbraw/zinc/85/08/47/937850847.db2.gz IKYOXVIFSJHPMW-RBUKOAKNSA-N 2 1 286.463 3.262 20 0 CGADMP Oc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c(F)c1F ZINC001474548997 937866504 /nfs/dbraw/zinc/86/65/04/937866504.db2.gz HMBXBUHMURLLPZ-UHFFFAOYSA-N 2 1 298.377 3.026 20 0 CGADMP CC[C@H](C)[C@@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)OC ZINC001474681257 937875044 /nfs/dbraw/zinc/87/50/44/937875044.db2.gz AVCDRHZGLIGCQJ-DLBZAZTESA-N 2 1 284.488 3.245 20 0 CGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC001550473991 938166669 /nfs/dbraw/zinc/16/66/69/938166669.db2.gz ZKLURJIEGXUXGI-BDVYOWHSSA-N 2 1 288.410 3.336 20 0 CGADMP c1coc([C@H]2C[C@H]2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001551380876 938180910 /nfs/dbraw/zinc/18/09/10/938180910.db2.gz SCVOWKGZEMTDBD-MHORFTMASA-N 2 1 296.414 3.466 20 0 CGADMP FC1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC001552080741 938189952 /nfs/dbraw/zinc/18/99/52/938189952.db2.gz XGAUAZGEUKFJDO-GQGLESIBSA-N 2 1 276.399 3.350 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC001559977519 938240796 /nfs/dbraw/zinc/24/07/96/938240796.db2.gz WZIUBPMNHLFIII-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001559977519 938240797 /nfs/dbraw/zinc/24/07/97/938240797.db2.gz WZIUBPMNHLFIII-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001559977519 938240798 /nfs/dbraw/zinc/24/07/98/938240798.db2.gz WZIUBPMNHLFIII-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2ccccc2C(C)(C)C1 ZINC001559990317 938241086 /nfs/dbraw/zinc/24/10/86/938241086.db2.gz MHHXQDZXRLNHKR-QGZVFWFLSA-N 2 1 286.463 3.307 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001559990317 938241087 /nfs/dbraw/zinc/24/10/87/938241087.db2.gz MHHXQDZXRLNHKR-QGZVFWFLSA-N 2 1 286.463 3.307 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC001559990317 938241088 /nfs/dbraw/zinc/24/10/88/938241088.db2.gz MHHXQDZXRLNHKR-QGZVFWFLSA-N 2 1 286.463 3.307 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC001560298034 938251615 /nfs/dbraw/zinc/25/16/15/938251615.db2.gz WUMGPEMRZCKNFP-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(CC3CCC3)c2)C1 ZINC001560326616 938253320 /nfs/dbraw/zinc/25/33/20/938253320.db2.gz GDMYCHKIOIGIDE-LJQANCHMSA-N 2 1 286.463 3.461 20 0 CGADMP CC(C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001560349726 938254402 /nfs/dbraw/zinc/25/44/02/938254402.db2.gz UNBJOGWBXQBIMR-UKRRQHHQSA-N 2 1 266.454 3.377 20 0 CGADMP CC(C)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001560349726 938254403 /nfs/dbraw/zinc/25/44/03/938254403.db2.gz UNBJOGWBXQBIMR-UKRRQHHQSA-N 2 1 266.454 3.377 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001560461070 938259401 /nfs/dbraw/zinc/25/94/01/938259401.db2.gz IGOGYJBPRVBTNV-ARFHVFGLSA-N 2 1 252.446 3.299 20 0 CGADMP c1cc2c(c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c1)CCC2 ZINC001560547248 938262592 /nfs/dbraw/zinc/26/25/92/938262592.db2.gz ZXQHWTRXUJKDFR-KRWDZBQOSA-N 2 1 298.474 3.387 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001560803028 938276886 /nfs/dbraw/zinc/27/68/86/938276886.db2.gz KVVNRTLKYQGFOB-CVEARBPZSA-N 2 1 274.452 3.111 20 0 CGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2scnc2c1 ZINC001560814149 938277793 /nfs/dbraw/zinc/27/77/93/938277793.db2.gz QNZJIWLBXDIUHQ-SWLSCSKDSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2scnc2c1 ZINC001560814149 938277796 /nfs/dbraw/zinc/27/77/96/938277796.db2.gz QNZJIWLBXDIUHQ-SWLSCSKDSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2scnc2c1 ZINC001560814149 938277797 /nfs/dbraw/zinc/27/77/97/938277797.db2.gz QNZJIWLBXDIUHQ-SWLSCSKDSA-N 2 1 289.448 3.068 20 0 CGADMP CC[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CCCC1 ZINC001560882683 938281813 /nfs/dbraw/zinc/28/18/13/938281813.db2.gz VUDDBAAXLFXGFE-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CCCC1 ZINC001560882683 938281814 /nfs/dbraw/zinc/28/18/14/938281814.db2.gz VUDDBAAXLFXGFE-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CC1 ZINC001575305545 960469945 /nfs/dbraw/zinc/46/99/45/960469945.db2.gz YCSNACIDZMRUCO-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC001574795562 962319251 /nfs/dbraw/zinc/31/92/51/962319251.db2.gz NJOAWZTYEKFTJJ-FUHWJXTLSA-N 2 1 294.483 3.190 20 0 CGADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC2(CCCCCC2)O1 ZINC001574800651 962319394 /nfs/dbraw/zinc/31/93/94/962319394.db2.gz KLURDLWTTZTLSR-HOTGVXAUSA-N 2 1 292.467 3.133 20 0 CGADMP CC(C)(C)OCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001575249366 962348597 /nfs/dbraw/zinc/34/85/97/962348597.db2.gz IODWJICAEPQDIY-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC001575421622 962380633 /nfs/dbraw/zinc/38/06/33/962380633.db2.gz AEIMZZBXIHJBST-JKSUJKDBSA-N 2 1 260.425 3.300 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001575655760 962408414 /nfs/dbraw/zinc/40/84/14/962408414.db2.gz PQUMLMZGHDFFCU-QZTJIDSGSA-N 2 1 272.436 3.069 20 0 CGADMP CC1(C)[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)[C@H]2CCC[NH2+][C@H]21 ZINC001576383998 962457160 /nfs/dbraw/zinc/45/71/60/962457160.db2.gz NIOIKHPMTFPRKC-QMCVQRASSA-N 2 1 288.410 3.179 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576623993 962472911 /nfs/dbraw/zinc/47/29/11/962472911.db2.gz OAQFKLRFZHCZNB-DMHIMHRUSA-N 2 1 272.436 3.380 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)[C@H]2CCCC[C@H]12 ZINC001576809237 962491514 /nfs/dbraw/zinc/49/15/14/962491514.db2.gz QQFKKLLDSZJVOH-XYPHTWIQSA-N 2 1 258.409 3.156 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001577096622 962510488 /nfs/dbraw/zinc/51/04/88/962510488.db2.gz SFWYZHQMCVPUMN-UGFHNGPFSA-N 2 1 266.816 3.001 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001577340981 962528157 /nfs/dbraw/zinc/52/81/57/962528157.db2.gz OBBBFPPJXZLKNI-HOTGVXAUSA-N 2 1 252.446 3.278 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001577377400 962537611 /nfs/dbraw/zinc/53/76/11/962537611.db2.gz MPVMLXIZOZJWCU-FPCVCCKLSA-N 2 1 252.446 3.181 20 0 CGADMP CC[N@@H+](Cc1ccccc1C)C[C@@]1(C)CCC[NH2+]C1 ZINC001577740078 962565808 /nfs/dbraw/zinc/56/58/08/962565808.db2.gz DOLZWVVLKLDHLF-KRWDZBQOSA-N 2 1 260.425 3.207 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(F)cc1Cl ZINC001579485762 962626950 /nfs/dbraw/zinc/62/69/50/962626950.db2.gz NLFWCOXGWKQJJC-HERUPUMHSA-N 2 1 282.790 3.400 20 0 CGADMP Cc1c(Cl)ccc2c1C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC001579534694 962629041 /nfs/dbraw/zinc/62/90/41/962629041.db2.gz PVRKFBJSWDMLJE-ZDUSSCGKSA-N 2 1 278.827 3.006 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1Cl ZINC001579601381 962642141 /nfs/dbraw/zinc/64/21/41/962642141.db2.gz PXMBZCVUBRVTPA-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP Cc1ccc(CC[NH2+][C@@]2(C[NH3+])CCCC[C@H]2C)cc1 ZINC001579687299 962651564 /nfs/dbraw/zinc/65/15/64/962651564.db2.gz FKCBAJMQMVMOSJ-NVXWUHKLSA-N 2 1 260.425 3.035 20 0 CGADMP Cc1cccc(C2=CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c1C ZINC001579756897 962672200 /nfs/dbraw/zinc/67/22/00/962672200.db2.gz NNILHRRAVOEIFE-WOVMCDHWSA-N 2 1 270.420 3.130 20 0 CGADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC(C)(C)C[NH3+])C1 ZINC001579795338 962674616 /nfs/dbraw/zinc/67/46/16/962674616.db2.gz NSSXIDWGEQSCJJ-CABCVRRESA-N 2 1 260.425 3.158 20 0 CGADMP [NH3+]C[C@@]12C[N@@H+](CCOC3CCCCCC3)C[C@@H]1CCCC2 ZINC001580254533 962709240 /nfs/dbraw/zinc/70/92/40/962709240.db2.gz DKKAEFGIRLHVPX-WMZOPIPTSA-N 2 1 294.483 3.177 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC001580293243 962714799 /nfs/dbraw/zinc/71/47/99/962714799.db2.gz ZVFHHLOYHIVWAD-CYBMUJFWSA-N 2 1 260.372 3.017 20 0 CGADMP c1cc(CC2CCC2)cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001580887681 962745796 /nfs/dbraw/zinc/74/57/96/962745796.db2.gz CQNYHCOCXVGDKB-RBUKOAKNSA-N 2 1 284.447 3.213 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCC12CCC2)Cc1ccccc1 ZINC000337392046 214047475 /nfs/dbraw/zinc/04/74/75/214047475.db2.gz LMHIZIHLTUFWHL-KRWDZBQOSA-N 2 1 272.436 3.431 20 0 CGADMP CC1CC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000621384055 349515397 /nfs/dbraw/zinc/51/53/97/349515397.db2.gz ZQZQDNKNOWSYQP-UHFFFAOYSA-N 2 1 272.436 3.287 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)C1CCC1 ZINC000651211034 398216698 /nfs/dbraw/zinc/21/66/98/398216698.db2.gz VPTDVBUHFHOIET-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000651218737 398217188 /nfs/dbraw/zinc/21/71/88/398217188.db2.gz JTDHPMZQXLQBMO-QWHCGFSZSA-N 2 1 251.418 3.242 20 0 CGADMP CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187715261 260163265 /nfs/dbraw/zinc/16/32/65/260163265.db2.gz GYCQMIXVMRDTKK-SQWLQELKSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187715261 260163266 /nfs/dbraw/zinc/16/32/66/260163266.db2.gz GYCQMIXVMRDTKK-SQWLQELKSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187715261 260163267 /nfs/dbraw/zinc/16/32/67/260163267.db2.gz GYCQMIXVMRDTKK-SQWLQELKSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187715261 260163268 /nfs/dbraw/zinc/16/32/68/260163268.db2.gz GYCQMIXVMRDTKK-SQWLQELKSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](C)C2)C1 ZINC000337629968 214188178 /nfs/dbraw/zinc/18/81/78/214188178.db2.gz CNXACTOJHQYECL-IYBDPMFKSA-N 2 1 272.436 3.370 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](C)C2)C1 ZINC000337629968 214188180 /nfs/dbraw/zinc/18/81/80/214188180.db2.gz CNXACTOJHQYECL-IYBDPMFKSA-N 2 1 272.436 3.370 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](C)C2)C1 ZINC000337629968 214188182 /nfs/dbraw/zinc/18/81/82/214188182.db2.gz CNXACTOJHQYECL-IYBDPMFKSA-N 2 1 272.436 3.370 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2ccccc2C1)C1CC1 ZINC000651491424 398253294 /nfs/dbraw/zinc/25/32/94/398253294.db2.gz ACWKJWAAZJXHDY-SFHVURJKSA-N 2 1 286.463 3.398 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622005016 349621059 /nfs/dbraw/zinc/62/10/59/349621059.db2.gz XTBAKZBCEXYOMF-SUMWQHHRSA-N 2 1 270.376 3.054 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622005016 349621061 /nfs/dbraw/zinc/62/10/61/349621061.db2.gz XTBAKZBCEXYOMF-SUMWQHHRSA-N 2 1 270.376 3.054 20 0 CGADMP CC[C@@]1(C)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651823070 398294283 /nfs/dbraw/zinc/29/42/83/398294283.db2.gz UXPYEXDBLMJOJV-BMRXWSCTSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000651829502 398295515 /nfs/dbraw/zinc/29/55/15/398295515.db2.gz DQKSAUCOAIUTRL-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cccs1 ZINC000651866039 398298629 /nfs/dbraw/zinc/29/86/29/398298629.db2.gz RPKUTTYGKOXOTO-AWEZNQCLSA-N 2 1 268.470 3.247 20 0 CGADMP CC[C@H](COC)[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000651910034 398304759 /nfs/dbraw/zinc/30/47/59/398304759.db2.gz FCGYUGJHEWOGSK-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000409445267 282163149 /nfs/dbraw/zinc/16/31/49/282163149.db2.gz JSXMJOFBUASYOX-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCCn2cc[nH+]c2C)[C@@H](C)[C@H]1OC ZINC000338019454 214364779 /nfs/dbraw/zinc/36/47/79/214364779.db2.gz LBERQYYWVOYJLR-FVQBIDKESA-N 2 1 293.455 3.011 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000187754951 529494842 /nfs/dbraw/zinc/49/48/42/529494842.db2.gz LZVYHZLVPZCAIN-HOCLYGCPSA-N 2 1 278.415 3.221 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000449285040 529597194 /nfs/dbraw/zinc/59/71/94/529597194.db2.gz QNIBVIYYSCXLHJ-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000449285040 529597198 /nfs/dbraw/zinc/59/71/98/529597198.db2.gz QNIBVIYYSCXLHJ-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccccc1C ZINC000268892562 282206221 /nfs/dbraw/zinc/20/62/21/282206221.db2.gz UZYKLEMXZOYHDT-CQSZACIVSA-N 2 1 257.381 3.241 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000268810958 282209764 /nfs/dbraw/zinc/20/97/64/282209764.db2.gz MDMBURWVUPYOES-KRWDZBQOSA-N 2 1 269.392 3.249 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335777 349780903 /nfs/dbraw/zinc/78/09/03/349780903.db2.gz CYBKKXMDYNCXRU-DOTOQJQBSA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623351380 349786078 /nfs/dbraw/zinc/78/60/78/349786078.db2.gz NNSYEJNKCZICDJ-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)F ZINC000423385506 529671947 /nfs/dbraw/zinc/67/19/47/529671947.db2.gz QVGNWZIDNQNCLO-DYEKYZERSA-N 2 1 298.377 3.469 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623375025 349793482 /nfs/dbraw/zinc/79/34/82/349793482.db2.gz ZMFWJWKEACUUGQ-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CSCc3ccccc32)CC1(C)C ZINC000623381906 349794685 /nfs/dbraw/zinc/79/46/85/349794685.db2.gz NRWBUNSCKRLPFX-HOCLYGCPSA-N 2 1 290.476 3.437 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CSCc3ccccc32)CC1(C)C ZINC000623381906 349794688 /nfs/dbraw/zinc/79/46/88/349794688.db2.gz NRWBUNSCKRLPFX-HOCLYGCPSA-N 2 1 290.476 3.437 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623384763 349796080 /nfs/dbraw/zinc/79/60/80/349796080.db2.gz ISECSAVBPBACQR-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP CCC(CC)[C@@H](CC[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000353152333 282234354 /nfs/dbraw/zinc/23/43/54/282234354.db2.gz PJAYOHBBIJPPDV-QGZVFWFLSA-N 2 1 293.455 3.079 20 0 CGADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623417067 349803736 /nfs/dbraw/zinc/80/37/36/349803736.db2.gz RBPNRSIVXXGMNX-ZBFHGGJFSA-N 2 1 290.451 3.089 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1(C)C ZINC000623424390 349804549 /nfs/dbraw/zinc/80/45/49/349804549.db2.gz PIEAOEXZWQYFGA-PMPSAXMXSA-N 2 1 296.499 3.290 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427699 349805208 /nfs/dbraw/zinc/80/52/08/349805208.db2.gz JNHHHEPCIJADKX-MRXNPFEDSA-N 2 1 290.426 3.320 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623432483 349807762 /nfs/dbraw/zinc/80/77/62/349807762.db2.gz UJVSEEYFSYFMQC-UKRRQHHQSA-N 2 1 278.440 3.372 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2F)CC1(C)C ZINC000623512042 349824045 /nfs/dbraw/zinc/82/40/45/349824045.db2.gz RKQRHTPAGASYRP-HNNXBMFYSA-N 2 1 278.415 3.221 20 0 CGADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496052 349820253 /nfs/dbraw/zinc/82/02/53/349820253.db2.gz FRPINJXQPBSKNN-XHSDSOJGSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc32)CC1(C)C ZINC000623534666 349828143 /nfs/dbraw/zinc/82/81/43/349828143.db2.gz ZXUMVQJMRGNXLQ-KBPBESRZSA-N 2 1 290.476 3.338 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351502069 219107295 /nfs/dbraw/zinc/10/72/95/219107295.db2.gz ZDHLJEKPMFNCHI-OEAJRASXSA-N 2 1 297.402 3.072 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351502069 219107297 /nfs/dbraw/zinc/10/72/97/219107297.db2.gz ZDHLJEKPMFNCHI-OEAJRASXSA-N 2 1 297.402 3.072 20 0 CGADMP Cc1ccc2cc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)ccc2n1 ZINC000623657608 349859754 /nfs/dbraw/zinc/85/97/54/349859754.db2.gz VKDYKWCWQLXQIS-QGZVFWFLSA-N 2 1 297.446 3.365 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623655176 349856987 /nfs/dbraw/zinc/85/69/87/349856987.db2.gz QIRUROLDZIABTI-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370934 293204062 /nfs/dbraw/zinc/20/40/62/293204062.db2.gz FGDMDSWEGJJCNF-CYZMBNFOSA-N 2 1 281.469 3.495 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)CC[N@@H+]1C ZINC000128106679 187351686 /nfs/dbraw/zinc/35/16/86/187351686.db2.gz PMTJPXUTWUEELP-CRYBEJKASA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)CC[N@H+]1C ZINC000128106679 187351688 /nfs/dbraw/zinc/35/16/88/187351688.db2.gz PMTJPXUTWUEELP-CRYBEJKASA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)CC[N@@H+]1C ZINC000128107086 187351801 /nfs/dbraw/zinc/35/18/01/187351801.db2.gz PMTJPXUTWUEELP-AKBUMOGYSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)CC[N@H+]1C ZINC000128107086 187351802 /nfs/dbraw/zinc/35/18/02/187351802.db2.gz PMTJPXUTWUEELP-AKBUMOGYSA-N 2 1 258.409 3.005 20 0 CGADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000623849848 349895462 /nfs/dbraw/zinc/89/54/62/349895462.db2.gz PZYSMPXEYGUKIN-GFCCVEGCSA-N 2 1 299.256 3.360 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000480236056 534959040 /nfs/dbraw/zinc/95/90/40/534959040.db2.gz YNWITRCBWYYMKJ-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423275506 529985990 /nfs/dbraw/zinc/98/59/90/529985990.db2.gz NEBYLBSXKNRCOR-IUODEOHRSA-N 2 1 296.842 3.307 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040621659 344963971 /nfs/dbraw/zinc/96/39/71/344963971.db2.gz LEFLQAALBPKWLU-DOTOQJQBSA-N 2 1 290.451 3.033 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000044533485 345012580 /nfs/dbraw/zinc/01/25/80/345012580.db2.gz IQGPVHSGKMRBTG-KTAKPFMOSA-N 2 1 276.399 3.003 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000044534847 345012930 /nfs/dbraw/zinc/01/29/30/345012930.db2.gz ZWEVSYUYKZRIKU-YOEHRIQHSA-N 2 1 276.424 3.078 20 0 CGADMP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044533712 345013218 /nfs/dbraw/zinc/01/32/18/345013218.db2.gz WUSRQHQRIBLIBZ-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000127359166 187299564 /nfs/dbraw/zinc/29/95/64/187299564.db2.gz ZWYUCCZPSKDFMN-GOSISDBHSA-N 2 1 283.419 3.071 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000127359166 187299566 /nfs/dbraw/zinc/29/95/66/187299566.db2.gz ZWYUCCZPSKDFMN-GOSISDBHSA-N 2 1 283.419 3.071 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000078047874 345590541 /nfs/dbraw/zinc/59/05/41/345590541.db2.gz RPGNBXOVJSIMCH-UHFFFAOYSA-N 2 1 289.467 3.057 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000078047874 345590543 /nfs/dbraw/zinc/59/05/43/345590543.db2.gz RPGNBXOVJSIMCH-UHFFFAOYSA-N 2 1 289.467 3.057 20 0 CGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000086252206 345749344 /nfs/dbraw/zinc/74/93/44/345749344.db2.gz WLGJHLAJKMFZJY-SFHVURJKSA-N 2 1 283.419 3.017 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC000081630106 345716234 /nfs/dbraw/zinc/71/62/34/345716234.db2.gz DMHIREVKWLFHPC-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000081630106 345716236 /nfs/dbraw/zinc/71/62/36/345716236.db2.gz DMHIREVKWLFHPC-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000081630106 345716237 /nfs/dbraw/zinc/71/62/37/345716237.db2.gz DMHIREVKWLFHPC-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000081637004 345716430 /nfs/dbraw/zinc/71/64/30/345716430.db2.gz OVQQFLWKHBTETD-HYVNUMGLSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000084469014 345734573 /nfs/dbraw/zinc/73/45/73/345734573.db2.gz LJDUGUHUCAMLPH-KFWWJZLASA-N 2 1 252.446 3.131 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000091261409 345808638 /nfs/dbraw/zinc/80/86/38/345808638.db2.gz RPXSMKWSHWVWAH-INIZCTEOSA-N 2 1 263.429 3.100 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091321092 345811052 /nfs/dbraw/zinc/81/10/52/345811052.db2.gz KTEPIWKSBVZLCP-WMLDXEAASA-N 2 1 286.423 3.210 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091346683 345812094 /nfs/dbraw/zinc/81/20/94/345812094.db2.gz OBEAOXJXYPUMTO-QGZVFWFLSA-N 2 1 286.423 3.354 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174515502 232302800 /nfs/dbraw/zinc/30/28/00/232302800.db2.gz LHJBNCVJZSUZDO-GDBMZVCRSA-N 2 1 298.430 3.421 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174515502 232302803 /nfs/dbraw/zinc/30/28/03/232302803.db2.gz LHJBNCVJZSUZDO-GDBMZVCRSA-N 2 1 298.430 3.421 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2C)[C@H](C)C1 ZINC000351658598 219165220 /nfs/dbraw/zinc/16/52/20/219165220.db2.gz IXXFCFRMPVTSPO-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2C)[C@H](C)C1 ZINC000351658598 219165222 /nfs/dbraw/zinc/16/52/22/219165222.db2.gz IXXFCFRMPVTSPO-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2C)[C@H](C)C1 ZINC000351658598 219165224 /nfs/dbraw/zinc/16/52/24/219165224.db2.gz IXXFCFRMPVTSPO-DOMZBBRYSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000167061018 346188225 /nfs/dbraw/zinc/18/82/25/346188225.db2.gz RBUIEOIEYZQBAP-KDOFPFPSSA-N 2 1 299.418 3.400 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000270649878 190758145 /nfs/dbraw/zinc/75/81/45/190758145.db2.gz LLTRNPAGPDQAGI-INIZCTEOSA-N 2 1 257.381 3.178 20 0 CGADMP Cc1c[nH+]ccc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000192564244 346268112 /nfs/dbraw/zinc/26/81/12/346268112.db2.gz GQKDHQQCUHJHQG-GOSISDBHSA-N 2 1 295.430 3.367 20 0 CGADMP CCC[C@@]1(COC)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000194935171 346272050 /nfs/dbraw/zinc/27/20/50/346272050.db2.gz NMRASGPVBJWSOR-KRWDZBQOSA-N 2 1 293.455 3.253 20 0 CGADMP CCC[C@@]1(COC)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000194935171 346272055 /nfs/dbraw/zinc/27/20/55/346272055.db2.gz NMRASGPVBJWSOR-KRWDZBQOSA-N 2 1 293.455 3.253 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000250483819 346385461 /nfs/dbraw/zinc/38/54/61/346385461.db2.gz DGUVWTDCVYPGQM-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000250487099 346385603 /nfs/dbraw/zinc/38/56/03/346385603.db2.gz FDHQRQKVQQUVGN-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CC[NH+](C/C=C\C[N@@H+]2CCC(C)(C)C2)C1 ZINC000255472868 346397265 /nfs/dbraw/zinc/39/72/65/346397265.db2.gz WVTUVRXIELCZJR-WAYWQWQTSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300087655 346436142 /nfs/dbraw/zinc/43/61/42/346436142.db2.gz NEWLVGXTOPQDQS-IIYDPXPESA-N 2 1 254.377 3.180 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCCC12CCCC2)C(C)C ZINC000584712640 346708909 /nfs/dbraw/zinc/70/89/09/346708909.db2.gz NQCCKKPWVXRUNN-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCCC12CCCC2)C(C)C ZINC000584712640 346708913 /nfs/dbraw/zinc/70/89/13/346708913.db2.gz NQCCKKPWVXRUNN-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP c1c(C[NH2+]C2CC[NH+](C3CC3)CC2)sc2c1CCCC2 ZINC000584575551 346684404 /nfs/dbraw/zinc/68/44/04/346684404.db2.gz DOMZENQJJDRSEQ-UHFFFAOYSA-N 2 1 290.476 3.343 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000624120512 349976567 /nfs/dbraw/zinc/97/65/67/349976567.db2.gz ARZFANWWCQXBEE-MRXNPFEDSA-N 2 1 294.483 3.047 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120982 349979194 /nfs/dbraw/zinc/97/91/94/349979194.db2.gz LGUIHJUJKZGMNS-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000624122110 349979875 /nfs/dbraw/zinc/97/98/75/349979875.db2.gz JXVHOIUWXXTTRB-RDJZCZTQSA-N 2 1 288.435 3.222 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122134 349979902 /nfs/dbraw/zinc/97/99/02/349979902.db2.gz KMHHNGCTFATZLI-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCCCC1 ZINC000624123401 349983060 /nfs/dbraw/zinc/98/30/60/349983060.db2.gz LESDYAQXJDNZLA-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000339409418 215151435 /nfs/dbraw/zinc/15/14/35/215151435.db2.gz MFDBWHBIEZVGAN-RDJZCZTQSA-N 2 1 275.440 3.072 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000624123504 349982770 /nfs/dbraw/zinc/98/27/70/349982770.db2.gz NGPXTNISSIOAME-LVQVYYBASA-N 2 1 264.457 3.133 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cs1 ZINC000624123235 349982864 /nfs/dbraw/zinc/98/28/64/349982864.db2.gz IHQSVDGZAAKHKE-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339431185 215163727 /nfs/dbraw/zinc/16/37/27/215163727.db2.gz VVYODMKSNCBVDC-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339431185 215163730 /nfs/dbraw/zinc/16/37/30/215163730.db2.gz VVYODMKSNCBVDC-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339431185 215163733 /nfs/dbraw/zinc/16/37/33/215163733.db2.gz VVYODMKSNCBVDC-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339431185 215163737 /nfs/dbraw/zinc/16/37/37/215163737.db2.gz VVYODMKSNCBVDC-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cccnc3c2)[C@@H](C)C1 ZINC000607957060 348276205 /nfs/dbraw/zinc/27/62/05/348276205.db2.gz YRYKJXWIPUWXIZ-WMLDXEAASA-N 2 1 283.419 3.055 20 0 CGADMP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000608081476 348282797 /nfs/dbraw/zinc/28/27/97/348282797.db2.gz FOXVLFLWSOFVRY-LBPRGKRZSA-N 2 1 275.421 3.263 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)CC[N@H+]1C ZINC000624267611 350015143 /nfs/dbraw/zinc/01/51/43/350015143.db2.gz SRPLSKBNPFETJB-QAPCUYQASA-N 2 1 295.430 3.321 20 0 CGADMP CCO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000625318628 350158242 /nfs/dbraw/zinc/15/82/42/350158242.db2.gz FTCKQPFTYQCALJ-QGPMSJSTSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1CCC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000625271030 350150984 /nfs/dbraw/zinc/15/09/84/350150984.db2.gz UPNBVXMQXSJIBS-UUAJXVIYSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2C[C@H]2C)CC1 ZINC000625271030 350150986 /nfs/dbraw/zinc/15/09/86/350150986.db2.gz UPNBVXMQXSJIBS-UUAJXVIYSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2C[C@H]2C)CC1 ZINC000625271030 350150989 /nfs/dbraw/zinc/15/09/89/350150989.db2.gz UPNBVXMQXSJIBS-UUAJXVIYSA-N 2 1 264.457 3.085 20 0 CGADMP Clc1cccc(CCCC[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000625434461 350171173 /nfs/dbraw/zinc/17/11/73/350171173.db2.gz VSQVPHNJFWGNLZ-UHFFFAOYSA-N 2 1 289.810 3.444 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000626063003 350254942 /nfs/dbraw/zinc/25/49/42/350254942.db2.gz NZJXFNSIFLZROT-QAPCUYQASA-N 2 1 290.451 3.138 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628204607 350439055 /nfs/dbraw/zinc/43/90/55/350439055.db2.gz FRWJAKDSQNWIPR-HOTGVXAUSA-N 2 1 260.425 3.030 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628202847 350439341 /nfs/dbraw/zinc/43/93/41/350439341.db2.gz JZNSHSXIURNOGM-JKSUJKDBSA-N 2 1 284.513 3.374 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(OC)c1 ZINC000628279507 350475573 /nfs/dbraw/zinc/47/55/73/350475573.db2.gz NGAOVKOAJDUQON-UHFFFAOYSA-N 2 1 284.831 3.122 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(OC)c1 ZINC000628279507 350475574 /nfs/dbraw/zinc/47/55/74/350475574.db2.gz NGAOVKOAJDUQON-UHFFFAOYSA-N 2 1 284.831 3.122 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)Cc1ccccc1 ZINC000628425377 350535878 /nfs/dbraw/zinc/53/58/78/350535878.db2.gz IYOAVKWDZRCRAM-FUHWJXTLSA-N 2 1 274.452 3.187 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000367760186 282712282 /nfs/dbraw/zinc/71/22/82/282712282.db2.gz YPQUMCKERVUSIF-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000629542671 350708253 /nfs/dbraw/zinc/70/82/53/350708253.db2.gz INYQOLHNTMSZPV-UBDQQSCGSA-N 2 1 272.436 3.128 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@H](C)c1ccc(Cl)cc1 ZINC000629543963 350708706 /nfs/dbraw/zinc/70/87/06/350708706.db2.gz HEBLMCJIELKOCL-OZTPJHRESA-N 2 1 266.816 3.172 20 0 CGADMP Clc1ccc([C@H]2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629554958 350712057 /nfs/dbraw/zinc/71/20/57/350712057.db2.gz OZWCGYTZHLYNBW-NUEKZKHPSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000629556434 350712894 /nfs/dbraw/zinc/71/28/94/350712894.db2.gz PRXNUIKTWZYWGA-GHMZBOCLSA-N 2 1 268.351 3.059 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585330 350714633 /nfs/dbraw/zinc/71/46/33/350714633.db2.gz RPHRUVAARLUKMJ-ZACQAIPSSA-N 2 1 258.409 3.069 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629406889 350689026 /nfs/dbraw/zinc/68/90/26/350689026.db2.gz PTKNKQKJTUCCGE-OFQRWUPVSA-N 2 1 260.425 3.083 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC000629410471 350689962 /nfs/dbraw/zinc/68/99/62/350689962.db2.gz FHYDEXZNKUTQLD-ZCPGHIKRSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@@H]([NH3+])c1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000629733259 350755659 /nfs/dbraw/zinc/75/56/59/350755659.db2.gz LQRSDYZEDLNVLF-OAHLLOKOSA-N 2 1 296.414 3.206 20 0 CGADMP CC(C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196164 350987352 /nfs/dbraw/zinc/98/73/52/350987352.db2.gz NYIQOOKZDFELQC-NVXWUHKLSA-N 2 1 260.425 3.000 20 0 CGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000631636815 351101018 /nfs/dbraw/zinc/10/10/18/351101018.db2.gz IMKCZIRAUVJBKX-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000631565164 351068666 /nfs/dbraw/zinc/06/86/66/351068666.db2.gz DFFNZTAJHVZPHP-QGZVFWFLSA-N 2 1 276.424 3.002 20 0 CGADMP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(OC)c1OC ZINC000631575485 351073374 /nfs/dbraw/zinc/07/33/74/351073374.db2.gz GEFYRKMFJBVANI-HIFRSBDPSA-N 2 1 294.439 3.085 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2c1 ZINC000634687940 351574114 /nfs/dbraw/zinc/57/41/14/351574114.db2.gz DEPLHYPUFIFZMP-HNAYVOBHSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3ncccc13)CC[NH2+]CC2 ZINC000634688017 351574123 /nfs/dbraw/zinc/57/41/23/351574123.db2.gz FPVWMDBXKRRBOQ-HNNXBMFYSA-N 2 1 295.430 3.199 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000634733831 351579281 /nfs/dbraw/zinc/57/92/81/351579281.db2.gz PGTUOXWQXBNMQL-LLVKDONJSA-N 2 1 272.845 3.269 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000339845080 215361170 /nfs/dbraw/zinc/36/11/70/215361170.db2.gz IHCONUWHRGQIIQ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000339845080 215361172 /nfs/dbraw/zinc/36/11/72/215361172.db2.gz IHCONUWHRGQIIQ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000339845080 215361174 /nfs/dbraw/zinc/36/11/74/215361174.db2.gz IHCONUWHRGQIIQ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000339845080 215361175 /nfs/dbraw/zinc/36/11/75/215361175.db2.gz IHCONUWHRGQIIQ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H](C)CC[NH+](C)C ZINC000123287251 187082786 /nfs/dbraw/zinc/08/27/86/187082786.db2.gz HIRDWZZYQMXNIE-GFCCVEGCSA-N 2 1 260.381 3.171 20 0 CGADMP Cc1cc([C@H](C)NCc2cnc3n2CCCC3)c(C)o1 ZINC000367440081 234215165 /nfs/dbraw/zinc/21/51/65/234215165.db2.gz ZJQJMTGAMGCCJL-LBPRGKRZSA-N 2 1 273.380 3.280 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368098278 234280895 /nfs/dbraw/zinc/28/08/95/234280895.db2.gz BILSYPHNCGPYTC-FTLABTOESA-N 2 1 299.393 3.319 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000152438029 188018526 /nfs/dbraw/zinc/01/85/26/188018526.db2.gz VMMJQDNUKJNBQX-SJKOYZFVSA-N 2 1 294.389 3.490 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000152438029 188018528 /nfs/dbraw/zinc/01/85/28/188018528.db2.gz VMMJQDNUKJNBQX-SJKOYZFVSA-N 2 1 294.389 3.490 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000152490637 188023122 /nfs/dbraw/zinc/02/31/22/188023122.db2.gz SHHPBMUCXBCHEO-YLJYHZDGSA-N 2 1 298.474 3.390 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000156463032 188263794 /nfs/dbraw/zinc/26/37/94/188263794.db2.gz DNLHFEOSYIWDJS-XHSDSOJGSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000156463032 188263795 /nfs/dbraw/zinc/26/37/95/188263795.db2.gz DNLHFEOSYIWDJS-XHSDSOJGSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccncc2)c1 ZINC000156610723 188271859 /nfs/dbraw/zinc/27/18/59/188271859.db2.gz YKHQWEHNMZDBBI-HNNXBMFYSA-N 2 1 283.419 3.384 20 0 CGADMP FC1(F)CCCC[C@H]1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450266473 282945455 /nfs/dbraw/zinc/94/54/55/282945455.db2.gz QZHZHFDWFINQAG-AWEZNQCLSA-N 2 1 286.410 3.372 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000271818917 191346316 /nfs/dbraw/zinc/34/63/16/191346316.db2.gz BYYSOSQIFRUXLO-JTQLQIEISA-N 2 1 284.325 3.016 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000271900967 191398144 /nfs/dbraw/zinc/39/81/44/191398144.db2.gz YEAASPKBUQJKRB-QGZVFWFLSA-N 2 1 287.382 3.462 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000271857333 191372233 /nfs/dbraw/zinc/37/22/33/191372233.db2.gz NKZQDGSRPFQPNI-QGZVFWFLSA-N 2 1 269.392 3.323 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000414085304 235332641 /nfs/dbraw/zinc/33/26/41/235332641.db2.gz YOFUIPCOQDOWRV-HRCADAONSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414180359 235355615 /nfs/dbraw/zinc/35/56/15/235355615.db2.gz LYTULJZYWYUDAZ-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)oc1C ZINC000414192584 235359863 /nfs/dbraw/zinc/35/98/63/235359863.db2.gz SLWCDXLQRCTXHA-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414171294 235353157 /nfs/dbraw/zinc/35/31/57/235353157.db2.gz DCMJSHWDWMIXNC-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414201910 235362602 /nfs/dbraw/zinc/36/26/02/235362602.db2.gz YIYNZRZQOVEGMC-OLZOCXBDSA-N 2 1 282.453 3.139 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2s1 ZINC000336350153 213198688 /nfs/dbraw/zinc/19/86/88/213198688.db2.gz IUJOYVYYLOPMSX-BXUZGUMPSA-N 2 1 289.448 3.177 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C1CC1 ZINC000124824103 138378169 /nfs/dbraw/zinc/37/81/69/138378169.db2.gz SXWMYIHWSWZMPX-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)C1CC1 ZINC000124824103 138378170 /nfs/dbraw/zinc/37/81/70/138378170.db2.gz SXWMYIHWSWZMPX-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000124824103 138378171 /nfs/dbraw/zinc/37/81/71/138378171.db2.gz SXWMYIHWSWZMPX-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000123726967 138369764 /nfs/dbraw/zinc/36/97/64/138369764.db2.gz WTBCOBJSXGNVOH-WFASDCNBSA-N 2 1 252.377 3.192 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1cccc(F)c1)C1CC1 ZINC000124963945 138379085 /nfs/dbraw/zinc/37/90/85/138379085.db2.gz YJNFDKVYLNZXIV-MRXNPFEDSA-N 2 1 276.399 3.274 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccc(F)c1)C1CC1 ZINC000124963945 138379086 /nfs/dbraw/zinc/37/90/86/138379086.db2.gz YJNFDKVYLNZXIV-MRXNPFEDSA-N 2 1 276.399 3.274 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000124963945 138379087 /nfs/dbraw/zinc/37/90/87/138379087.db2.gz YJNFDKVYLNZXIV-MRXNPFEDSA-N 2 1 276.399 3.274 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000124963945 138379088 /nfs/dbraw/zinc/37/90/88/138379088.db2.gz YJNFDKVYLNZXIV-MRXNPFEDSA-N 2 1 276.399 3.274 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130178977 138399898 /nfs/dbraw/zinc/39/98/98/138399898.db2.gz LREJPAPLFXKBRC-HRCADAONSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130178977 138399900 /nfs/dbraw/zinc/39/99/00/138399900.db2.gz LREJPAPLFXKBRC-HRCADAONSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422775518 235917335 /nfs/dbraw/zinc/91/73/35/235917335.db2.gz BOYXPFKDDFORJH-ZIAGYGMSSA-N 2 1 269.392 3.257 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423285809 236024004 /nfs/dbraw/zinc/02/40/04/236024004.db2.gz YTNXYZHTSPUUQM-BMFZPTHFSA-N 2 1 278.827 3.303 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)C1CC1 ZINC000423313916 236035034 /nfs/dbraw/zinc/03/50/34/236035034.db2.gz GJFIKCVXSAMHNA-RBUKOAKNSA-N 2 1 298.405 3.436 20 0 CGADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423342632 236044656 /nfs/dbraw/zinc/04/46/56/236044656.db2.gz ZDIKEZLKDQLFPG-GFCCVEGCSA-N 2 1 258.365 3.273 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423362053 236050073 /nfs/dbraw/zinc/05/00/73/236050073.db2.gz ASXBIYCXAIOSIV-ZLKJLUDKSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)F ZINC000423400156 236064212 /nfs/dbraw/zinc/06/42/12/236064212.db2.gz WMCCTPUIBZJLQG-GRYCIOLGSA-N 2 1 284.350 3.079 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000423501450 236088233 /nfs/dbraw/zinc/08/82/33/236088233.db2.gz DOAKIVHCGDDWDM-NHYWBVRUSA-N 2 1 298.377 3.456 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000423532764 236093927 /nfs/dbraw/zinc/09/39/27/236093927.db2.gz RVIJXZLGVVHSHL-WCQYABFASA-N 2 1 252.427 3.225 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@H]3C3CCC3)CC[NH2+]2)cc1 ZINC000424373212 236157978 /nfs/dbraw/zinc/15/79/78/236157978.db2.gz JDIZWPZLABWTQZ-WNRNVDISSA-N 2 1 270.420 3.258 20 0 CGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC000424261604 236138005 /nfs/dbraw/zinc/13/80/05/236138005.db2.gz CLZBWANVHNXCHJ-OMPZMXGASA-N 2 1 294.483 3.044 20 0 CGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC000424261604 236138006 /nfs/dbraw/zinc/13/80/06/236138006.db2.gz CLZBWANVHNXCHJ-OMPZMXGASA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000424301169 236144252 /nfs/dbraw/zinc/14/42/52/236144252.db2.gz XIQSYQVCCSQBKW-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](CC2CC2)C2CCCCC2)CC[NH2+]1 ZINC000414695033 291121029 /nfs/dbraw/zinc/12/10/29/291121029.db2.gz OPOWSFHDZKCEEK-GOEBONIOSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)oc2cc1C ZINC000427117605 236323235 /nfs/dbraw/zinc/32/32/35/236323235.db2.gz NKXXRRIUXUZVCB-WMLDXEAASA-N 2 1 284.403 3.233 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)oc2cc1C ZINC000427117605 236323237 /nfs/dbraw/zinc/32/32/37/236323237.db2.gz NKXXRRIUXUZVCB-WMLDXEAASA-N 2 1 284.403 3.233 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000119299662 370664678 /nfs/dbraw/zinc/66/46/78/370664678.db2.gz VCBNVRKVCVNUQB-INIZCTEOSA-N 2 1 297.446 3.340 20 0 CGADMP C[C@H]([NH2+]CCCCCF)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000341906985 216147254 /nfs/dbraw/zinc/14/72/54/216147254.db2.gz VUNXXJQSNOMTHD-GJZGRUSLSA-N 2 1 270.436 3.369 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)[C@H](C)C1 ZINC000177892275 189077372 /nfs/dbraw/zinc/07/73/72/189077372.db2.gz MTMKKPAJVSBCBM-YPMHNXCESA-N 2 1 286.872 3.264 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000177977134 189082824 /nfs/dbraw/zinc/08/28/24/189082824.db2.gz DTTGLJQGDCKNJK-MAUKXSAKSA-N 2 1 290.451 3.041 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)o1 ZINC000178707125 189138642 /nfs/dbraw/zinc/13/86/42/189138642.db2.gz MTYJOPSFHQZQJV-AAEUAGOBSA-N 2 1 261.369 3.080 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000179633566 189209258 /nfs/dbraw/zinc/20/92/58/189209258.db2.gz COHGPRHRVQKCIA-KRWDZBQOSA-N 2 1 295.430 3.132 20 0 CGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[NH+](C)C)oc21 ZINC000181392802 189295736 /nfs/dbraw/zinc/29/57/36/189295736.db2.gz ILVNQCHACOGCIG-CYBMUJFWSA-N 2 1 290.407 3.434 20 0 CGADMP Cc1cc[nH+]c(NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000301655258 201119269 /nfs/dbraw/zinc/11/92/69/201119269.db2.gz UVRVINILQWWTNN-OAHLLOKOSA-N 2 1 261.413 3.457 20 0 CGADMP Cc1cc[nH+]c(NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000301655258 201119271 /nfs/dbraw/zinc/11/92/71/201119271.db2.gz UVRVINILQWWTNN-OAHLLOKOSA-N 2 1 261.413 3.457 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@H](C)Cc3ccoc3)CC2)[nH+]1 ZINC000449137803 239200786 /nfs/dbraw/zinc/20/07/86/239200786.db2.gz AIEWWJZFEKORMK-OAHLLOKOSA-N 2 1 299.418 3.173 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000120511272 370775680 /nfs/dbraw/zinc/77/56/80/370775680.db2.gz FLPFIKSVYYIZOP-CPUCHLNUSA-N 2 1 283.419 3.053 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1C[C@H]1C ZINC000414110705 299343270 /nfs/dbraw/zinc/34/32/70/299343270.db2.gz OLZPIANWKMJYQD-HNLJFRNMSA-N 2 1 264.457 3.274 20 0 CGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450631972 240010291 /nfs/dbraw/zinc/01/02/91/240010291.db2.gz JKTCMXZXLQNWIR-KGLIPLIRSA-N 2 1 297.393 3.110 20 0 CGADMP Cc1nccn1CCCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451368948 240284224 /nfs/dbraw/zinc/28/42/24/240284224.db2.gz MTMUTHBQYJEZKS-XDNAFOTISA-N 2 1 285.435 3.116 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451368948 240284228 /nfs/dbraw/zinc/28/42/28/240284228.db2.gz MTMUTHBQYJEZKS-XDNAFOTISA-N 2 1 285.435 3.116 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451368948 240284231 /nfs/dbraw/zinc/28/42/31/240284231.db2.gz MTMUTHBQYJEZKS-XDNAFOTISA-N 2 1 285.435 3.116 20 0 CGADMP C[C@@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451373601 240288025 /nfs/dbraw/zinc/28/80/25/240288025.db2.gz RZGZUSXRMATJRA-OWSLCNJRSA-N 2 1 274.452 3.006 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCc1cncn1C ZINC000459434716 242107789 /nfs/dbraw/zinc/10/77/89/242107789.db2.gz NXCNTNKGSWSPFJ-RDJZCZTQSA-N 2 1 283.419 3.231 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459572452 242135648 /nfs/dbraw/zinc/13/56/48/242135648.db2.gz QSNWYQDQAJALPP-MRXNPFEDSA-N 2 1 284.447 3.323 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000459356458 242088840 /nfs/dbraw/zinc/08/88/40/242088840.db2.gz KTCUSYZOLFTIDE-CADBVGFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000459356458 242088848 /nfs/dbraw/zinc/08/88/48/242088848.db2.gz KTCUSYZOLFTIDE-CADBVGFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000459356458 242088852 /nfs/dbraw/zinc/08/88/52/242088852.db2.gz KTCUSYZOLFTIDE-CADBVGFASA-N 2 1 284.447 3.206 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459721091 242192357 /nfs/dbraw/zinc/19/23/57/242192357.db2.gz AMZLHTWMBFBPAU-QGZVFWFLSA-N 2 1 291.483 3.356 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000459742376 242203256 /nfs/dbraw/zinc/20/32/56/242203256.db2.gz VYEQNGIKYJSUGQ-IJEWVQPXSA-N 2 1 276.424 3.225 20 0 CGADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000462807215 242363903 /nfs/dbraw/zinc/36/39/03/242363903.db2.gz ZBTSMEYDWDVGQY-CZUORRHYSA-N 2 1 280.843 3.121 20 0 CGADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Cl ZINC000462820425 242365976 /nfs/dbraw/zinc/36/59/76/242365976.db2.gz VNQQLGDRTXYQHR-UKRRQHHQSA-N 2 1 280.843 3.263 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121489826 370865909 /nfs/dbraw/zinc/86/59/09/370865909.db2.gz HDRRQFZTTIJZQV-QAPCUYQASA-N 2 1 285.435 3.439 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCC(C)C ZINC000121488310 370865948 /nfs/dbraw/zinc/86/59/48/370865948.db2.gz URRPTQYCHIHAJG-UONOGXRCSA-N 2 1 251.418 3.242 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)CC)C1 ZINC000478045603 243067220 /nfs/dbraw/zinc/06/72/20/243067220.db2.gz WQALAOJUEDEXLV-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)CC)C1 ZINC000478045603 243067227 /nfs/dbraw/zinc/06/72/27/243067227.db2.gz WQALAOJUEDEXLV-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000478045603 243067230 /nfs/dbraw/zinc/06/72/30/243067230.db2.gz WQALAOJUEDEXLV-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H]1CC=CCC1 ZINC000479611535 243116489 /nfs/dbraw/zinc/11/64/89/243116489.db2.gz WUVUOQWASMVSBN-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)c2cccc(OC(C)C)c2)C1 ZINC000480631441 243158363 /nfs/dbraw/zinc/15/83/63/243158363.db2.gz QSRCJPHZLRSZSU-HDMKZQKVSA-N 2 1 290.451 3.465 20 0 CGADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)c2cccc(OC(C)C)c2)C1 ZINC000480631441 243158367 /nfs/dbraw/zinc/15/83/67/243158367.db2.gz QSRCJPHZLRSZSU-HDMKZQKVSA-N 2 1 290.451 3.465 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000480693094 243161218 /nfs/dbraw/zinc/16/12/18/243161218.db2.gz JBRUZQNRVKVWOJ-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000480744798 243163371 /nfs/dbraw/zinc/16/33/71/243163371.db2.gz LGSFDOVMFIEZFT-AEFFLSMTSA-N 2 1 290.451 3.084 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000479690237 243121165 /nfs/dbraw/zinc/12/11/65/243121165.db2.gz UQALADYLUWOZOO-LJQANCHMSA-N 2 1 286.463 3.331 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)C2CC2)C1 ZINC000482866385 243247424 /nfs/dbraw/zinc/24/74/24/243247424.db2.gz FDQMDGUZCWSCKE-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)C2CC2)C1 ZINC000482866385 243247428 /nfs/dbraw/zinc/24/74/28/243247428.db2.gz FDQMDGUZCWSCKE-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000123601572 370912905 /nfs/dbraw/zinc/91/29/05/370912905.db2.gz IBMVGUNQLGIXBX-WCQYABFASA-N 2 1 258.365 3.053 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488405825 243547571 /nfs/dbraw/zinc/54/75/71/243547571.db2.gz BNSXIONBYDBOEE-GJZGRUSLSA-N 2 1 281.469 3.091 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC1CCCCC1 ZINC000019912975 368781658 /nfs/dbraw/zinc/78/16/58/368781658.db2.gz BDDZRRSFAOLJMF-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccs1 ZINC000019912944 368781837 /nfs/dbraw/zinc/78/18/37/368781837.db2.gz NWKWCHJHDZVJRO-CYBMUJFWSA-N 2 1 252.427 3.102 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000019914608 368783132 /nfs/dbraw/zinc/78/31/32/368783132.db2.gz SDCBJPVJHYQSAP-AWEZNQCLSA-N 2 1 258.409 3.039 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000019959010 368789373 /nfs/dbraw/zinc/78/93/73/368789373.db2.gz SSLSYGAFUKUAFC-AWEZNQCLSA-N 2 1 264.413 3.076 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996616 369047460 /nfs/dbraw/zinc/04/74/60/369047460.db2.gz MGUYTXXAPVGMMA-JCGIZDLHSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996616 369047463 /nfs/dbraw/zinc/04/74/63/369047463.db2.gz MGUYTXXAPVGMMA-JCGIZDLHSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1OC ZINC000036995106 369047499 /nfs/dbraw/zinc/04/74/99/369047499.db2.gz UERCZFWDJUZPET-UCMJJCQDSA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1OC ZINC000036995106 369047503 /nfs/dbraw/zinc/04/75/03/369047503.db2.gz UERCZFWDJUZPET-UCMJJCQDSA-N 2 1 288.435 3.361 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000036935036 369039544 /nfs/dbraw/zinc/03/95/44/369039544.db2.gz WNPRGEBPRJVGMV-LBPRGKRZSA-N 2 1 298.377 3.423 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]CCC[NH+](C)C ZINC000035017771 368991272 /nfs/dbraw/zinc/99/12/72/368991272.db2.gz SHOCRWHMVBOULD-UHFFFAOYSA-N 2 1 260.381 3.037 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000037107925 369062607 /nfs/dbraw/zinc/06/26/07/369062607.db2.gz CHROIXHAZUWLLI-LNRIEFBSSA-N 2 1 288.435 3.361 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000037149917 369069671 /nfs/dbraw/zinc/06/96/71/369069671.db2.gz BBBGAHAFLXDLSQ-UHFFFAOYSA-N 2 1 264.388 3.180 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000037644210 369095281 /nfs/dbraw/zinc/09/52/81/369095281.db2.gz FODKIXACEAEKKB-JSGCOSHPSA-N 2 1 266.454 3.357 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000037649226 369097042 /nfs/dbraw/zinc/09/70/42/369097042.db2.gz SYESUSDOPHKDRA-NEPJUHHUSA-N 2 1 280.362 3.100 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC000037067414 369057121 /nfs/dbraw/zinc/05/71/21/369057121.db2.gz IGJDLVUFFUPHSY-YCXXCVGLSA-N 2 1 288.435 3.361 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000037977175 369129842 /nfs/dbraw/zinc/12/98/42/369129842.db2.gz HXZCKXBIARQZNK-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000041631617 369193715 /nfs/dbraw/zinc/19/37/15/369193715.db2.gz HFHGDZLDQSYRBX-CHWSQXEVSA-N 2 1 278.465 3.445 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000042276515 369210547 /nfs/dbraw/zinc/21/05/47/369210547.db2.gz SJSNQAWEQBFWPB-CYBMUJFWSA-N 2 1 286.341 3.137 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000042276515 369210551 /nfs/dbraw/zinc/21/05/51/369210551.db2.gz SJSNQAWEQBFWPB-CYBMUJFWSA-N 2 1 286.341 3.137 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000049551945 369409053 /nfs/dbraw/zinc/40/90/53/369409053.db2.gz RDXWDUAXZTTYAN-LLVKDONJSA-N 2 1 290.329 3.015 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000219233221 376197285 /nfs/dbraw/zinc/19/72/85/376197285.db2.gz JMMSTRBHXAWQMY-SJORKVTESA-N 2 1 258.409 3.020 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000219233221 376197294 /nfs/dbraw/zinc/19/72/94/376197294.db2.gz JMMSTRBHXAWQMY-SJORKVTESA-N 2 1 258.409 3.020 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000070148355 369781674 /nfs/dbraw/zinc/78/16/74/369781674.db2.gz PJGMENLUDHYVND-ZDUSSCGKSA-N 2 1 286.341 3.409 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000070148355 369781676 /nfs/dbraw/zinc/78/16/76/369781676.db2.gz PJGMENLUDHYVND-ZDUSSCGKSA-N 2 1 286.341 3.409 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000070171399 369786480 /nfs/dbraw/zinc/78/64/80/369786480.db2.gz BABUHIVGNAPVQY-NEPJUHHUSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000070171399 369786484 /nfs/dbraw/zinc/78/64/84/369786484.db2.gz BABUHIVGNAPVQY-NEPJUHHUSA-N 2 1 286.341 3.265 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c2ccccc2n1 ZINC000092345959 370094302 /nfs/dbraw/zinc/09/43/02/370094302.db2.gz HRUWCTTZTPCJLI-RDTXWAMCSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c2ccccc2n1 ZINC000092345959 370094308 /nfs/dbraw/zinc/09/43/08/370094308.db2.gz HRUWCTTZTPCJLI-RDTXWAMCSA-N 2 1 283.419 3.245 20 0 CGADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1nccs1 ZINC000093371662 370119823 /nfs/dbraw/zinc/11/98/23/370119823.db2.gz YCRCEVXEWFYKON-LBPRGKRZSA-N 2 1 275.421 3.056 20 0 CGADMP Cc1ccoc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564036 370142423 /nfs/dbraw/zinc/14/24/23/370142423.db2.gz OWYBNMNSFUCKGG-HNNXBMFYSA-N 2 1 262.397 3.038 20 0 CGADMP Cc1ccoc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564036 370142425 /nfs/dbraw/zinc/14/24/25/370142425.db2.gz OWYBNMNSFUCKGG-HNNXBMFYSA-N 2 1 262.397 3.038 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000093597477 370144431 /nfs/dbraw/zinc/14/44/31/370144431.db2.gz PYOMCCMPIZYOCQ-QGZVFWFLSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000104095750 370336744 /nfs/dbraw/zinc/33/67/44/370336744.db2.gz CWUFJEXYOOLGOY-AWEZNQCLSA-N 2 1 266.816 3.114 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000104095750 370336750 /nfs/dbraw/zinc/33/67/50/370336750.db2.gz CWUFJEXYOOLGOY-AWEZNQCLSA-N 2 1 266.816 3.114 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000104095750 370336752 /nfs/dbraw/zinc/33/67/52/370336752.db2.gz CWUFJEXYOOLGOY-AWEZNQCLSA-N 2 1 266.816 3.114 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000104095750 370336758 /nfs/dbraw/zinc/33/67/58/370336758.db2.gz CWUFJEXYOOLGOY-AWEZNQCLSA-N 2 1 266.816 3.114 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000513960150 245104470 /nfs/dbraw/zinc/10/44/70/245104470.db2.gz AZYFPORLLPEWAL-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000513960150 245104475 /nfs/dbraw/zinc/10/44/75/245104475.db2.gz AZYFPORLLPEWAL-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000116385678 370559582 /nfs/dbraw/zinc/55/95/82/370559582.db2.gz PJALFUADHKIYDY-IAGOWNOFSA-N 2 1 272.436 3.082 20 0 CGADMP COCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000118002902 370603845 /nfs/dbraw/zinc/60/38/45/370603845.db2.gz SJGCKPAQPFPXLB-KRWDZBQOSA-N 2 1 282.472 3.001 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000219689251 376201787 /nfs/dbraw/zinc/20/17/87/376201787.db2.gz XBNMAYGEXGGTIZ-JWTNVVGKSA-N 2 1 272.436 3.327 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000130222257 371018120 /nfs/dbraw/zinc/01/81/20/371018120.db2.gz HWFYMQPJGOMQBG-APHBMKBZSA-N 2 1 262.372 3.103 20 0 CGADMP Cc1ccc([C@H]2CCCC[N@H+]2CCn2ccnc2)cc1 ZINC000131458731 371108728 /nfs/dbraw/zinc/10/87/28/371108728.db2.gz LDHOZSOGQSGFNW-QGZVFWFLSA-N 2 1 269.392 3.419 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131701402 371123708 /nfs/dbraw/zinc/12/37/08/371123708.db2.gz IIXYVAOLEJOLQD-GUYCJALGSA-N 2 1 286.350 3.435 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000132080825 371150196 /nfs/dbraw/zinc/15/01/96/371150196.db2.gz WOHJKWDIXTUTQN-LSDHHAIUSA-N 2 1 258.390 3.291 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2F)CC[N@H+]1C ZINC000133811016 371281539 /nfs/dbraw/zinc/28/15/39/371281539.db2.gz MBDSBTOYIAWXBS-UONOGXRCSA-N 2 1 278.415 3.176 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000537851761 376205446 /nfs/dbraw/zinc/20/54/46/376205446.db2.gz QKSPKGNXDJXCOB-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000537851761 376205449 /nfs/dbraw/zinc/20/54/49/376205449.db2.gz QKSPKGNXDJXCOB-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000537851761 376205455 /nfs/dbraw/zinc/20/54/55/376205455.db2.gz QKSPKGNXDJXCOB-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1cc(C)ccc1C ZINC000136309944 371473082 /nfs/dbraw/zinc/47/30/82/371473082.db2.gz OTESSPJPIWHWCI-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000136309944 371473087 /nfs/dbraw/zinc/47/30/87/371473087.db2.gz OTESSPJPIWHWCI-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)ccc1C ZINC000136309944 371473093 /nfs/dbraw/zinc/47/30/93/371473093.db2.gz OTESSPJPIWHWCI-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP CC1(C)CN(CCn2ccnc2)[C@@H]1c1cccs1 ZINC000286718687 371542194 /nfs/dbraw/zinc/54/21/94/371542194.db2.gz GEUPFPUOHLQDTG-CYBMUJFWSA-N 2 1 261.394 3.028 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3nc(C)sc32)C1 ZINC000151129027 371574930 /nfs/dbraw/zinc/57/49/30/371574930.db2.gz YYBQYYVSKDYHIU-UONOGXRCSA-N 2 1 293.480 3.150 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)C1 ZINC000421822456 371644843 /nfs/dbraw/zinc/64/48/43/371644843.db2.gz XBHXYKFDIORHJI-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)C1 ZINC000421822456 371644859 /nfs/dbraw/zinc/64/48/59/371644859.db2.gz XBHXYKFDIORHJI-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2(OC)CCCCC2)C1 ZINC000421823294 371645016 /nfs/dbraw/zinc/64/50/16/371645016.db2.gz CRFMMWLPWDGVMU-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152446758 371696056 /nfs/dbraw/zinc/69/60/56/371696056.db2.gz HONOKJCIGCUHFS-OFQRWUPVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152436046 371696251 /nfs/dbraw/zinc/69/62/51/371696251.db2.gz COBQJAZNNLTSEP-CHWSQXEVSA-N 2 1 290.476 3.372 20 0 CGADMP CC(C)OC[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000337343731 214019677 /nfs/dbraw/zinc/01/96/77/214019677.db2.gz SOUWXWUBJKQVMH-INIZCTEOSA-N 2 1 292.467 3.430 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000337348673 214023521 /nfs/dbraw/zinc/02/35/21/214023521.db2.gz ZGIOMVFZYVYWDA-NUJGCVRESA-N 2 1 299.462 3.182 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422701942 371758582 /nfs/dbraw/zinc/75/85/82/371758582.db2.gz CTKQNMCUSRZJPS-NVXWUHKLSA-N 2 1 282.472 3.094 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422734216 371775433 /nfs/dbraw/zinc/77/54/33/371775433.db2.gz SKFJJDDHVBPNFN-SWLSCSKDSA-N 2 1 280.843 3.348 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000337340909 214016249 /nfs/dbraw/zinc/01/62/49/214016249.db2.gz PUXDXXJWINVEPX-MRXNPFEDSA-N 2 1 292.467 3.430 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000337344827 214018383 /nfs/dbraw/zinc/01/83/83/214018383.db2.gz ULQWGNNLUUCSJF-QXCFHYIPSA-N 2 1 299.462 3.324 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC[N@@H+]1C ZINC000337341984 214018396 /nfs/dbraw/zinc/01/83/96/214018396.db2.gz QYCWVGRGJONYRD-JOCBIADPSA-N 2 1 287.451 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC[N@H+]1C ZINC000337341984 214018398 /nfs/dbraw/zinc/01/83/98/214018398.db2.gz QYCWVGRGJONYRD-JOCBIADPSA-N 2 1 287.451 3.180 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422770704 371794180 /nfs/dbraw/zinc/79/41/80/371794180.db2.gz XAIZGXWKQSLTMU-NEPJUHHUSA-N 2 1 275.421 3.026 20 0 CGADMP COc1ccc([C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000422779725 371801926 /nfs/dbraw/zinc/80/19/26/371801926.db2.gz GKSXGSIFPWMUOJ-XKQJLSEDSA-N 2 1 276.424 3.122 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)c[nH]c21 ZINC000422789598 371808943 /nfs/dbraw/zinc/80/89/43/371808943.db2.gz UKFIGWPNEUODOK-ZDUSSCGKSA-N 2 1 294.402 3.177 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344044821 217025155 /nfs/dbraw/zinc/02/51/55/217025155.db2.gz XNDVJOOQQKCKOH-CQSZACIVSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344044821 217025158 /nfs/dbraw/zinc/02/51/58/217025158.db2.gz XNDVJOOQQKCKOH-CQSZACIVSA-N 2 1 263.429 3.340 20 0 CGADMP CCN(CCC[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422792711 371811346 /nfs/dbraw/zinc/81/13/46/371811346.db2.gz WDQTXFIIFGTFPI-OAHLLOKOSA-N 2 1 298.434 3.061 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000422855234 371843627 /nfs/dbraw/zinc/84/36/27/371843627.db2.gz VEDSXPJEDMJYNW-XJKSGUPXSA-N 2 1 278.415 3.224 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422877526 371850171 /nfs/dbraw/zinc/85/01/71/371850171.db2.gz HZAASFBOOACFJE-HUUCEWRRSA-N 2 1 264.438 3.158 20 0 CGADMP C[C@@H]([NH2+]CCc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]1 ZINC000422938546 371881711 /nfs/dbraw/zinc/88/17/11/371881711.db2.gz HBTIIJNSRVAKTL-ZWNOBZJWSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423059581 371939684 /nfs/dbraw/zinc/93/96/84/371939684.db2.gz FYGLARLUJYRITL-IWCQGFGOSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422967436 371894592 /nfs/dbraw/zinc/89/45/92/371894592.db2.gz BVAPSVGLZIFOCK-LBEMJPCMSA-N 2 1 288.435 3.474 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000422968113 371895711 /nfs/dbraw/zinc/89/57/11/371895711.db2.gz VPXKGIAVFQWMJD-XEZPLFJOSA-N 2 1 258.365 3.084 20 0 CGADMP CSc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)ccn1 ZINC000422996573 371907951 /nfs/dbraw/zinc/90/79/51/371907951.db2.gz TULGVYSNMQXJLK-ZFWWWQNUSA-N 2 1 293.480 3.204 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000344096905 217046365 /nfs/dbraw/zinc/04/63/65/217046365.db2.gz UYEVNKLAXRWMJC-FUHWJXTLSA-N 2 1 297.446 3.304 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000423044549 371929653 /nfs/dbraw/zinc/92/96/53/371929653.db2.gz BHDSTQKXRSSEBU-UONOGXRCSA-N 2 1 268.351 3.374 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092053 371958055 /nfs/dbraw/zinc/95/80/55/371958055.db2.gz AHIVSXBFCCWDJO-CUBALJKWSA-N 2 1 278.827 3.174 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C)c1c[nH+]ccc1N ZINC000423093612 371958891 /nfs/dbraw/zinc/95/88/91/371958891.db2.gz IEPBDMRPLWZSPR-RFGFWPKPSA-N 2 1 261.413 3.217 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423113015 371972281 /nfs/dbraw/zinc/97/22/81/371972281.db2.gz YAWRAAWTNYHRSZ-ICIURTGMSA-N 2 1 276.449 3.342 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCc2ccccc21)c1c[nH+]ccc1N ZINC000423143638 371988802 /nfs/dbraw/zinc/98/88/02/371988802.db2.gz DNKRXHOVERTYCJ-UKRRQHHQSA-N 2 1 281.403 3.265 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)c1ncccc1C)[C@@H]1CCCC[NH2+]1 ZINC000423143226 371989110 /nfs/dbraw/zinc/98/91/10/371989110.db2.gz WNGWXSYTQCBEEQ-HOTGVXAUSA-N 2 1 289.467 3.178 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000423145256 371990179 /nfs/dbraw/zinc/99/01/79/371990179.db2.gz JVFATTJEQJGJKB-WBVHZDCISA-N 2 1 272.436 3.065 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423158646 371996219 /nfs/dbraw/zinc/99/62/19/371996219.db2.gz OKRISBKMKZTYGK-BFHYXJOUSA-N 2 1 261.413 3.361 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083710 371954600 /nfs/dbraw/zinc/95/46/00/371954600.db2.gz GKYINBFCYNMUKV-QCPWZWHMSA-N 2 1 276.399 3.049 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000037644562 541865612 /nfs/dbraw/zinc/86/56/12/541865612.db2.gz HUOZIXJNPNZSRC-SWLSCSKDSA-N 2 1 294.439 3.294 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]CCC[NH2+]C ZINC000423199308 372023648 /nfs/dbraw/zinc/02/36/48/372023648.db2.gz JPJWUYFUTKKYDO-LBPRGKRZSA-N 2 1 252.427 3.059 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C)c1ccccc1Br ZINC000423200575 372025658 /nfs/dbraw/zinc/02/56/58/372025658.db2.gz MPTPVLMBCSQFPE-ZDUSSCGKSA-N 2 1 285.229 3.099 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc2cccnc21 ZINC000290609611 372026664 /nfs/dbraw/zinc/02/66/64/372026664.db2.gz WKJVPHSCWHGZQT-YOEHRIQHSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2cccnc21 ZINC000290609611 372026671 /nfs/dbraw/zinc/02/66/71/372026671.db2.gz WKJVPHSCWHGZQT-YOEHRIQHSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2cccnc21 ZINC000290609611 372026676 /nfs/dbraw/zinc/02/66/76/372026676.db2.gz WKJVPHSCWHGZQT-YOEHRIQHSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2cccnc21 ZINC000290609611 372026680 /nfs/dbraw/zinc/02/66/80/372026680.db2.gz WKJVPHSCWHGZQT-YOEHRIQHSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2cccnc21 ZINC000290609611 372026684 /nfs/dbraw/zinc/02/66/84/372026684.db2.gz WKJVPHSCWHGZQT-YOEHRIQHSA-N 2 1 283.419 3.007 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C1 ZINC000423261832 372043935 /nfs/dbraw/zinc/04/39/35/372043935.db2.gz LAOFPXRMNUBORQ-IKGGRYGDSA-N 2 1 289.467 3.379 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1F ZINC000423267142 372044368 /nfs/dbraw/zinc/04/43/68/372044368.db2.gz SVBLIAUHVRAMFK-MLGOLLRUSA-N 2 1 294.414 3.393 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)c1 ZINC000158251182 372062203 /nfs/dbraw/zinc/06/22/03/372062203.db2.gz XIHLYRMWJAAICS-PKOBYXMFSA-N 2 1 286.463 3.248 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158185597 372058781 /nfs/dbraw/zinc/05/87/81/372058781.db2.gz KEBXMYQRXZQCRG-AEFFLSMTSA-N 2 1 292.442 3.324 20 0 CGADMP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423174877 372005114 /nfs/dbraw/zinc/00/51/14/372005114.db2.gz CVHORYRUXNIUAD-QBPKDAKJSA-N 2 1 282.387 3.218 20 0 CGADMP CC(C)C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccn1 ZINC000423176790 372006900 /nfs/dbraw/zinc/00/69/00/372006900.db2.gz HVURMOLRIHOHBX-INIZCTEOSA-N 2 1 275.440 3.420 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cs1 ZINC000290538004 372012850 /nfs/dbraw/zinc/01/28/50/372012850.db2.gz RBVUWNCVKJZIDS-MFKMUULPSA-N 2 1 272.845 3.174 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)c1 ZINC000423495909 372070283 /nfs/dbraw/zinc/07/02/83/372070283.db2.gz DDFQTEAMOJTZPS-GUYCJALGSA-N 2 1 276.424 3.172 20 0 CGADMP C[C@@H](CCC1CCCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344302131 217140533 /nfs/dbraw/zinc/14/05/33/217140533.db2.gz SNMUFSAUFYXTFN-AWEZNQCLSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1cccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)c1C ZINC000428716133 372253985 /nfs/dbraw/zinc/25/39/85/372253985.db2.gz HTNKGMXPZKWASU-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1cccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)c1C ZINC000428716133 372253990 /nfs/dbraw/zinc/25/39/90/372253990.db2.gz HTNKGMXPZKWASU-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1cccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)c1C ZINC000428716133 372253994 /nfs/dbraw/zinc/25/39/94/372253994.db2.gz HTNKGMXPZKWASU-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000293040335 372286317 /nfs/dbraw/zinc/28/63/17/372286317.db2.gz SGTUIRAIKGGTAZ-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293040335 372286322 /nfs/dbraw/zinc/28/63/22/372286322.db2.gz SGTUIRAIKGGTAZ-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293040335 372286326 /nfs/dbraw/zinc/28/63/26/372286326.db2.gz SGTUIRAIKGGTAZ-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293040335 372286333 /nfs/dbraw/zinc/28/63/33/372286333.db2.gz SGTUIRAIKGGTAZ-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293040335 372286336 /nfs/dbraw/zinc/28/63/36/372286336.db2.gz SGTUIRAIKGGTAZ-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161551773 372335171 /nfs/dbraw/zinc/33/51/71/372335171.db2.gz BPKISNHAPYFPOD-UHFFFAOYSA-N 2 1 277.456 3.108 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)C[NH+](C)C ZINC000293309840 372352761 /nfs/dbraw/zinc/35/27/61/372352761.db2.gz FCOBWQKVDUMZQK-KBPBESRZSA-N 2 1 271.408 3.083 20 0 CGADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(Cl)c2cccnc12)C1CC1 ZINC000430549600 372390641 /nfs/dbraw/zinc/39/06/41/372390641.db2.gz DWTIIMCJPNIOBY-INIZCTEOSA-N 2 1 289.810 3.105 20 0 CGADMP C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430946794 372407840 /nfs/dbraw/zinc/40/78/40/372407840.db2.gz XZWDKFNGBUBYJL-SMDDNHRTSA-N 2 1 284.856 3.101 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430947144 372408732 /nfs/dbraw/zinc/40/87/32/372408732.db2.gz ZHHXURNFXMNAAH-MRXNPFEDSA-N 2 1 298.430 3.150 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CCCC3)[C@H](C)C1 ZINC000429422029 372364773 /nfs/dbraw/zinc/36/47/73/372364773.db2.gz YJBBPKVBMYTEOD-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070485 372422913 /nfs/dbraw/zinc/42/29/13/372422913.db2.gz YKCFVMWAYCXOAV-ZDUSSCGKSA-N 2 1 294.443 3.054 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070485 372422920 /nfs/dbraw/zinc/42/29/20/372422920.db2.gz YKCFVMWAYCXOAV-ZDUSSCGKSA-N 2 1 294.443 3.054 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000163241122 372455708 /nfs/dbraw/zinc/45/57/08/372455708.db2.gz JNIJAUBXWJEHSZ-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)CC[N@H+]1C ZINC000293723952 372461530 /nfs/dbraw/zinc/46/15/30/372461530.db2.gz NVLMVYOGPCPUQA-DOMZBBRYSA-N 2 1 282.378 3.371 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000163839744 372494915 /nfs/dbraw/zinc/49/49/15/372494915.db2.gz XNYRWQIMCKNGBC-CZUORRHYSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000163839744 372494919 /nfs/dbraw/zinc/49/49/19/372494919.db2.gz XNYRWQIMCKNGBC-CZUORRHYSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c[nH]c21 ZINC000164416867 372518217 /nfs/dbraw/zinc/51/82/17/372518217.db2.gz YTAYCKQEHLQDHT-MPGHIAIKSA-N 2 1 299.462 3.337 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000164622805 372526733 /nfs/dbraw/zinc/52/67/33/372526733.db2.gz SQADPBKXNXIYAH-LBPRGKRZSA-N 2 1 292.814 3.371 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000165339357 372550003 /nfs/dbraw/zinc/55/00/03/372550003.db2.gz IOVVUUKFZVYZIB-HKUYNNGSSA-N 2 1 286.463 3.329 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000166086038 372563504 /nfs/dbraw/zinc/56/35/04/372563504.db2.gz MLVHRGZAEYYERX-RKVPGOIHSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000433039468 372578059 /nfs/dbraw/zinc/57/80/59/372578059.db2.gz OCKCBIDJVOOXFP-CXAGYDPISA-N 2 1 284.407 3.196 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166648314 372579224 /nfs/dbraw/zinc/57/92/24/372579224.db2.gz IHSUXRKNLGZJMG-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP CCCOc1cc(C)ccc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000167671643 372599252 /nfs/dbraw/zinc/59/92/52/372599252.db2.gz HRZYPSKQCDXFSD-NVXWUHKLSA-N 2 1 290.451 3.356 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000167671643 372599262 /nfs/dbraw/zinc/59/92/62/372599262.db2.gz HRZYPSKQCDXFSD-NVXWUHKLSA-N 2 1 290.451 3.356 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000344511224 217216292 /nfs/dbraw/zinc/21/62/92/217216292.db2.gz ISQSLVKXFMCDQZ-RHSMWYFYSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000344511224 217216293 /nfs/dbraw/zinc/21/62/93/217216293.db2.gz ISQSLVKXFMCDQZ-RHSMWYFYSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000344511226 217217139 /nfs/dbraw/zinc/21/71/39/217217139.db2.gz ISQSLVKXFMCDQZ-WMLDXEAASA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000344511226 217217141 /nfs/dbraw/zinc/21/71/41/217217141.db2.gz ISQSLVKXFMCDQZ-WMLDXEAASA-N 2 1 283.419 3.055 20 0 CGADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435381426 372755836 /nfs/dbraw/zinc/75/58/36/372755836.db2.gz WIFXKQRWDISLTI-OAHLLOKOSA-N 2 1 296.414 3.143 20 0 CGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435394445 372757573 /nfs/dbraw/zinc/75/75/73/372757573.db2.gz KHTSLQBJDWPGHY-HNNXBMFYSA-N 2 1 296.414 3.143 20 0 CGADMP CC[N@@H+](C/C=C/c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435392212 372759065 /nfs/dbraw/zinc/75/90/65/372759065.db2.gz VQYGIZWMCLCWBI-DWTRPJMMSA-N 2 1 294.389 3.442 20 0 CGADMP C[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435434030 372763033 /nfs/dbraw/zinc/76/30/33/372763033.db2.gz VVPIVTGMWVHBIS-IBGZPJMESA-N 2 1 295.430 3.323 20 0 CGADMP CC[N@@H+](Cc1ccccc1OC(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435617934 372784071 /nfs/dbraw/zinc/78/40/71/372784071.db2.gz XMDVFWXBDQJXOW-CQSZACIVSA-N 2 1 298.377 3.252 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000353449707 220087761 /nfs/dbraw/zinc/08/77/61/220087761.db2.gz RONLYFAZRAREQJ-DJIMGWMZSA-N 2 1 276.399 3.097 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000295884302 372947902 /nfs/dbraw/zinc/94/79/02/372947902.db2.gz HIXSCWOEUTUUIN-YCXXCVGLSA-N 2 1 270.420 3.197 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000344769376 217305424 /nfs/dbraw/zinc/30/54/24/217305424.db2.gz KLHCNMKOYYAERW-RDJZCZTQSA-N 2 1 275.440 3.072 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cccc(C(C)(C)C)c1 ZINC000442768975 373076064 /nfs/dbraw/zinc/07/60/64/373076064.db2.gz PKBOQYXPWCWZRL-CABCVRRESA-N 2 1 290.451 3.032 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442783004 373080691 /nfs/dbraw/zinc/08/06/91/373080691.db2.gz MAERIGZMWUBOGD-HIFPTAJRSA-N 2 1 262.388 3.130 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442783004 373080699 /nfs/dbraw/zinc/08/06/99/373080699.db2.gz MAERIGZMWUBOGD-HIFPTAJRSA-N 2 1 262.388 3.130 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000296365542 373107316 /nfs/dbraw/zinc/10/73/16/373107316.db2.gz IFZYKNPHSBYYAE-ZBFHGGJFSA-N 2 1 296.480 3.290 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442927920 373126661 /nfs/dbraw/zinc/12/66/61/373126661.db2.gz OSOKYWGEUBEVOM-FUHWJXTLSA-N 2 1 274.452 3.316 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442927922 373128179 /nfs/dbraw/zinc/12/81/79/373128179.db2.gz OSOKYWGEUBEVOM-WMZOPIPTSA-N 2 1 274.452 3.316 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000444620025 373213486 /nfs/dbraw/zinc/21/34/86/373213486.db2.gz LMCAWAUDDLYURI-SFHVURJKSA-N 2 1 272.436 3.179 20 0 CGADMP c1ccc(C[C@@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000444620025 373213492 /nfs/dbraw/zinc/21/34/92/373213492.db2.gz LMCAWAUDDLYURI-SFHVURJKSA-N 2 1 272.436 3.179 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC000173924171 373218557 /nfs/dbraw/zinc/21/85/57/373218557.db2.gz WYYJEHRQSJKGNC-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000173924171 373218568 /nfs/dbraw/zinc/21/85/68/373218568.db2.gz WYYJEHRQSJKGNC-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000173924171 373218576 /nfs/dbraw/zinc/21/85/76/373218576.db2.gz WYYJEHRQSJKGNC-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2ccccc2)C1 ZINC000173886695 373209106 /nfs/dbraw/zinc/20/91/06/373209106.db2.gz HJDUAXUXAZNJBT-CVEARBPZSA-N 2 1 260.425 3.064 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000174454108 373318698 /nfs/dbraw/zinc/31/86/98/373318698.db2.gz OSRCCGMQVOTKPB-XJKSGUPXSA-N 2 1 287.407 3.478 20 0 CGADMP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCc2cncn2C)C1 ZINC000297799227 373281874 /nfs/dbraw/zinc/28/18/74/373281874.db2.gz XGMNPSAJIYDLNA-CRAIPNDOSA-N 2 1 283.419 3.436 20 0 CGADMP COC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000446759116 373359234 /nfs/dbraw/zinc/35/92/34/373359234.db2.gz NMRLBDKWOAZIKO-AEFFLSMTSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000300316513 373623210 /nfs/dbraw/zinc/62/32/10/373623210.db2.gz RWMMNWAHBAMWGA-LTIDMASMSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000300316513 373623221 /nfs/dbraw/zinc/62/32/21/373623221.db2.gz RWMMNWAHBAMWGA-LTIDMASMSA-N 2 1 264.457 3.418 20 0 CGADMP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc[nH+]cc1Cl ZINC000176939878 373642980 /nfs/dbraw/zinc/64/29/80/373642980.db2.gz CFZIUSIJXKKLOI-LBPRGKRZSA-N 2 1 267.804 3.046 20 0 CGADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[nH+]cc1Cl ZINC000176939878 373642988 /nfs/dbraw/zinc/64/29/88/373642988.db2.gz CFZIUSIJXKKLOI-LBPRGKRZSA-N 2 1 267.804 3.046 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449433767 373712398 /nfs/dbraw/zinc/71/23/98/373712398.db2.gz NSVOPSLIGKTHSU-CHWSQXEVSA-N 2 1 281.469 3.121 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000178239586 373756075 /nfs/dbraw/zinc/75/60/75/373756075.db2.gz DWEPDTYESPDEGS-YQVWRLOYSA-N 2 1 288.479 3.473 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCC2)[C@@H](C)C1 ZINC000449485934 373776197 /nfs/dbraw/zinc/77/61/97/373776197.db2.gz PHVRGNCGNQIEDB-DZGCQCFKSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCCC1(C)C ZINC000178708403 373805898 /nfs/dbraw/zinc/80/58/98/373805898.db2.gz GFYQOOYJZOKCSZ-HIFRSBDPSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000178744628 373808999 /nfs/dbraw/zinc/80/89/99/373808999.db2.gz NLSKFDZERKZFOI-MHRDGSLOSA-N 2 1 263.429 3.242 20 0 CGADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000178957710 373820670 /nfs/dbraw/zinc/82/06/70/373820670.db2.gz JMADFSKANUMAPJ-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP c1ccc(CC[N@@H+](CC2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000178972076 373823116 /nfs/dbraw/zinc/82/31/16/373823116.db2.gz PHMQTBJEJAQWQK-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000353668474 220240995 /nfs/dbraw/zinc/24/09/95/220240995.db2.gz GINLGYHRAQNZHH-NGFQHRJXSA-N 2 1 293.480 3.017 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCn1ccnc1 ZINC000181093147 374079039 /nfs/dbraw/zinc/07/90/39/374079039.db2.gz GXTNNGILCUDBOI-LBPRGKRZSA-N 2 1 279.334 3.244 20 0 CGADMP C[C@@H]1C[C@@H](NCc2ccccc2OC2CCC2)CC[N@H+]1C ZINC000180973662 374064191 /nfs/dbraw/zinc/06/41/91/374064191.db2.gz RANDKUXELJBAEM-ZBFHGGJFSA-N 2 1 288.435 3.190 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCC2)CCN1C ZINC000180973662 374064200 /nfs/dbraw/zinc/06/42/00/374064200.db2.gz RANDKUXELJBAEM-ZBFHGGJFSA-N 2 1 288.435 3.190 20 0 CGADMP CCSCC[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309806221 374197005 /nfs/dbraw/zinc/19/70/05/374197005.db2.gz LFRZKISEAORIEY-KRWDZBQOSA-N 2 1 292.492 3.241 20 0 CGADMP C[C@@H]([NH2+]CCCCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309919902 374204268 /nfs/dbraw/zinc/20/42/68/374204268.db2.gz QIZWGCPMPKAIEK-NVXWUHKLSA-N 2 1 278.415 3.236 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccc1F ZINC000310763151 374223876 /nfs/dbraw/zinc/22/38/76/374223876.db2.gz NBTMEOZAURISQH-SWLSCSKDSA-N 2 1 252.377 3.064 20 0 CGADMP C1CC(C([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)C1 ZINC000311689020 374253903 /nfs/dbraw/zinc/25/39/03/374253903.db2.gz OICRILGQQDFCTL-HZPDHXFCSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCc1ccsc1 ZINC000452097404 374233551 /nfs/dbraw/zinc/23/35/51/374233551.db2.gz QUUSRMGAAIMIDL-UHFFFAOYSA-N 2 1 266.454 3.145 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC000311573075 374247324 /nfs/dbraw/zinc/24/73/24/374247324.db2.gz AWZQCVGAAYNTDR-WBVHZDCISA-N 2 1 260.425 3.344 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c(C)s1 ZINC000182741420 374320314 /nfs/dbraw/zinc/32/03/14/374320314.db2.gz QWOUOFCCFWBSMT-TZMCWYRMSA-N 2 1 266.454 3.500 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc12 ZINC000317465413 374339754 /nfs/dbraw/zinc/33/97/54/374339754.db2.gz WJUFNXPLCZYGTB-GOEBONIOSA-N 2 1 298.430 3.421 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453342856 374433324 /nfs/dbraw/zinc/43/33/24/374433324.db2.gz HZQIQVRRPZNIPE-KSAJCEOXSA-N 2 1 264.457 3.416 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183704670 374444432 /nfs/dbraw/zinc/44/44/32/374444432.db2.gz QZGJYFXIPKTXNA-MOKVOYLWSA-N 2 1 292.389 3.287 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1C ZINC000183740430 374449432 /nfs/dbraw/zinc/44/94/32/374449432.db2.gz MIJRRISFEGGZGI-HOTGVXAUSA-N 2 1 260.425 3.438 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000453369577 374455167 /nfs/dbraw/zinc/45/51/67/374455167.db2.gz VDLLDSXBCZGXRM-UCMJJCQDSA-N 2 1 273.424 3.138 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC000453369577 374455173 /nfs/dbraw/zinc/45/51/73/374455173.db2.gz VDLLDSXBCZGXRM-UCMJJCQDSA-N 2 1 273.424 3.138 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C12CCCC2 ZINC000453388592 374473085 /nfs/dbraw/zinc/47/30/85/374473085.db2.gz BPSLYMSYZDFIGJ-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C3CCC3)CCC2)[C@H](C)C1 ZINC000453388138 374473090 /nfs/dbraw/zinc/47/30/90/374473090.db2.gz FRQMOFSTWYPWSV-ZBFHGGJFSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000453404147 374475306 /nfs/dbraw/zinc/47/53/06/374475306.db2.gz PAMFONXAIYCQGS-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CCCCC1 ZINC000332376972 374570392 /nfs/dbraw/zinc/57/03/92/374570392.db2.gz RUAMYCYAYLPAFA-MRXNPFEDSA-N 2 1 274.408 3.021 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1=CCCCC1 ZINC000185123030 374591869 /nfs/dbraw/zinc/59/18/69/374591869.db2.gz GVBYMQVNEXXVSS-UHFFFAOYSA-N 2 1 259.397 3.128 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185635713 374702792 /nfs/dbraw/zinc/70/27/92/374702792.db2.gz FVEXUBMOURCDTN-WMLDXEAASA-N 2 1 299.418 3.126 20 0 CGADMP Cc1nccn1CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000334430758 374744390 /nfs/dbraw/zinc/74/43/90/374744390.db2.gz JUZRTYWSGYPOJA-MRXNPFEDSA-N 2 1 259.397 3.014 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCC(F)(F)CC1 ZINC000459433219 374806686 /nfs/dbraw/zinc/80/66/86/374806686.db2.gz BGFYEPRLZVTLFY-UHFFFAOYSA-N 2 1 274.399 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459778628 374820715 /nfs/dbraw/zinc/82/07/15/374820715.db2.gz LDTBWEFRKNSLGR-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](C[NH+](C)C)C3)cc2c1C ZINC000473125214 375043174 /nfs/dbraw/zinc/04/31/74/375043174.db2.gz HFZFCCKSLJHGJN-OAHLLOKOSA-N 2 1 285.435 3.168 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)cc2c1C ZINC000473125214 375043182 /nfs/dbraw/zinc/04/31/82/375043182.db2.gz HFZFCCKSLJHGJN-OAHLLOKOSA-N 2 1 285.435 3.168 20 0 CGADMP COC[C@H](C)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000187939942 375121922 /nfs/dbraw/zinc/12/19/22/375121922.db2.gz ZLEXXFTVOKQNJJ-HZPDHXFCSA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000487278484 375218175 /nfs/dbraw/zinc/21/81/75/375218175.db2.gz OACZTPXJSLIHLN-ZNMIVQPWSA-N 2 1 252.446 3.131 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189007031 375308851 /nfs/dbraw/zinc/30/88/51/375308851.db2.gz VAONOEVZIFPBPJ-SJLPKXTDSA-N 2 1 272.436 3.082 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC23CCCC3)cn1 ZINC000189075214 375319736 /nfs/dbraw/zinc/31/97/36/375319736.db2.gz GVAMXEFWGUAUOX-INIZCTEOSA-N 2 1 296.418 3.388 20 0 CGADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226324635 296228873 /nfs/dbraw/zinc/22/88/73/296228873.db2.gz OPLMIYIEJRSMGU-RYUDHWBXSA-N 2 1 268.351 3.087 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)c2ccsc2S1 ZINC000335570112 375331944 /nfs/dbraw/zinc/33/19/44/375331944.db2.gz ZPFNAEGAOPAADF-JOYOIKCWSA-N 2 1 268.451 3.015 20 0 CGADMP CC(C)OC1CC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000189519601 375402183 /nfs/dbraw/zinc/40/21/83/375402183.db2.gz WWKRKPUPIZQCIG-GTPINHCMSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191201215 375595084 /nfs/dbraw/zinc/59/50/84/375595084.db2.gz BFILFGARRNAZRD-GOEBONIOSA-N 2 1 292.471 3.155 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191201215 375595093 /nfs/dbraw/zinc/59/50/93/375595093.db2.gz BFILFGARRNAZRD-GOEBONIOSA-N 2 1 292.471 3.155 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190979806 375556776 /nfs/dbraw/zinc/55/67/76/375556776.db2.gz XFGKRENYYVBPRP-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190979806 375556780 /nfs/dbraw/zinc/55/67/80/375556780.db2.gz XFGKRENYYVBPRP-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190979806 375556791 /nfs/dbraw/zinc/55/67/91/375556791.db2.gz XFGKRENYYVBPRP-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@@H](C)C1 ZINC000335959610 375572214 /nfs/dbraw/zinc/57/22/14/375572214.db2.gz HJOFTBAXUFCHLZ-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C1CCCCC1 ZINC000502269773 375643627 /nfs/dbraw/zinc/64/36/27/375643627.db2.gz PUYPKDNSFZEXDR-USXIJHARSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C1CCCCC1 ZINC000502269773 375643633 /nfs/dbraw/zinc/64/36/33/375643633.db2.gz PUYPKDNSFZEXDR-USXIJHARSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000123916067 542029844 /nfs/dbraw/zinc/02/98/44/542029844.db2.gz WMGWGJJLUQYGAJ-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP Fc1cccc(F)c1C[N@@H+](CCCn1ccnc1)C1CC1 ZINC000192301042 375727684 /nfs/dbraw/zinc/72/76/84/375727684.db2.gz XJIZXHMECQFTDF-UHFFFAOYSA-N 2 1 291.345 3.216 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713708 375758904 /nfs/dbraw/zinc/75/89/04/375758904.db2.gz ABBTUOUPAYFYNJ-CYGHRXIMSA-N 2 1 272.436 3.143 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000513100066 375800934 /nfs/dbraw/zinc/80/09/34/375800934.db2.gz FYLVMQZUIZECSF-XDNAFOTISA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000513100066 375800939 /nfs/dbraw/zinc/80/09/39/375800939.db2.gz FYLVMQZUIZECSF-XDNAFOTISA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933182 375804866 /nfs/dbraw/zinc/80/48/66/375804866.db2.gz VSQBGNPIYRXOAW-MAUKXSAKSA-N 2 1 272.436 3.287 20 0 CGADMP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346018088 217779709 /nfs/dbraw/zinc/77/97/09/217779709.db2.gz QMWNCFWQVKBPAD-SJORKVTESA-N 2 1 290.476 3.135 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2ccccc21 ZINC000193463812 375881173 /nfs/dbraw/zinc/88/11/73/375881173.db2.gz KZRVTXXPHUWETM-KRWDZBQOSA-N 2 1 258.409 3.092 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193463727 375881868 /nfs/dbraw/zinc/88/18/68/375881868.db2.gz DZUCJUIFEOYYBV-CYBMUJFWSA-N 2 1 282.378 3.444 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193463727 375881875 /nfs/dbraw/zinc/88/18/75/375881875.db2.gz DZUCJUIFEOYYBV-CYBMUJFWSA-N 2 1 282.378 3.444 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000336809103 375961196 /nfs/dbraw/zinc/96/11/96/375961196.db2.gz TXJPSJMDNGQOTR-NEPJUHHUSA-N 2 1 278.362 3.134 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000336809103 375961198 /nfs/dbraw/zinc/96/11/98/375961198.db2.gz TXJPSJMDNGQOTR-NEPJUHHUSA-N 2 1 278.362 3.134 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000336809103 375961200 /nfs/dbraw/zinc/96/12/00/375961200.db2.gz TXJPSJMDNGQOTR-NEPJUHHUSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000336811455 375962651 /nfs/dbraw/zinc/96/26/51/375962651.db2.gz NBIRLOUHJTUPEV-WBOJAVRRSA-N 2 1 258.409 3.307 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000336811455 375962653 /nfs/dbraw/zinc/96/26/53/375962653.db2.gz NBIRLOUHJTUPEV-WBOJAVRRSA-N 2 1 258.409 3.307 20 0 CGADMP C=Cn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cn1 ZINC000194238625 375974142 /nfs/dbraw/zinc/97/41/42/375974142.db2.gz YOQLLVKVGKQRKO-UHFFFAOYSA-N 2 1 298.434 3.114 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336716904 375919251 /nfs/dbraw/zinc/91/92/51/375919251.db2.gz QDOYZPYCXDCJEE-RHSMWYFYSA-N 2 1 258.409 3.039 20 0 CGADMP CCO[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC000194459923 376006753 /nfs/dbraw/zinc/00/67/53/376006753.db2.gz OEJTXFQWXNGUJG-SFHVURJKSA-N 2 1 299.418 3.015 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000535795460 376063101 /nfs/dbraw/zinc/06/31/01/376063101.db2.gz DUFAIIREGFIDLL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000535795460 376063109 /nfs/dbraw/zinc/06/31/09/376063109.db2.gz DUFAIIREGFIDLL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000535795460 376063117 /nfs/dbraw/zinc/06/31/17/376063117.db2.gz DUFAIIREGFIDLL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131553642 296239052 /nfs/dbraw/zinc/23/90/52/296239052.db2.gz HABDRGKYPNWZDS-GRYCIOLGSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000195136547 376083055 /nfs/dbraw/zinc/08/30/55/376083055.db2.gz NZFHEIXVHNJLOF-DOTOQJQBSA-N 2 1 284.403 3.452 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000195136547 376083061 /nfs/dbraw/zinc/08/30/61/376083061.db2.gz NZFHEIXVHNJLOF-DOTOQJQBSA-N 2 1 284.403 3.452 20 0 CGADMP C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211951419 376136454 /nfs/dbraw/zinc/13/64/54/376136454.db2.gz CNBGJBHMGCRXJP-KBXCAEBGSA-N 2 1 272.436 3.343 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000536693856 376123433 /nfs/dbraw/zinc/12/34/33/376123433.db2.gz YQQGQDAGXGEQNE-QCODTGAPSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000536693856 376123436 /nfs/dbraw/zinc/12/34/36/376123436.db2.gz YQQGQDAGXGEQNE-QCODTGAPSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCC12CCC2)C1CCCCC1 ZINC000337386448 376217380 /nfs/dbraw/zinc/21/73/80/376217380.db2.gz HZXMYRJLQVSTHV-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCC12CCC2)C1CCCCC1 ZINC000337386448 376217387 /nfs/dbraw/zinc/21/73/87/376217387.db2.gz HZXMYRJLQVSTHV-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000222191509 376231606 /nfs/dbraw/zinc/23/16/06/376231606.db2.gz KJDKBGCBUQKZPE-UHFFFAOYSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H](CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000226332095 376353189 /nfs/dbraw/zinc/35/31/89/376353189.db2.gz BVURVCWMNAWNMW-VYDXJSESSA-N 2 1 260.425 3.239 20 0 CGADMP C[N@H+](Cc1csc2ccccc12)C[C@H]1CCC[NH2+]C1 ZINC000226435444 376359576 /nfs/dbraw/zinc/35/95/76/376359576.db2.gz JWFPCYLAYZLQAV-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@H]1CCC[NH2+]C1 ZINC000226434849 376359714 /nfs/dbraw/zinc/35/97/14/376359714.db2.gz FBUJAJKAAZHXEB-INIZCTEOSA-N 2 1 268.404 3.271 20 0 CGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226436716 376359723 /nfs/dbraw/zinc/35/97/23/376359723.db2.gz PTGGXFBYOXPURS-CYBMUJFWSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226436601 376359802 /nfs/dbraw/zinc/35/98/02/376359802.db2.gz SNCJUYCOPVJNSM-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226436601 376359804 /nfs/dbraw/zinc/35/98/04/376359804.db2.gz SNCJUYCOPVJNSM-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226436915 376360462 /nfs/dbraw/zinc/36/04/62/376360462.db2.gz QPJNHZZMMIOHNO-KDOFPFPSSA-N 2 1 270.420 3.138 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000540181141 376363051 /nfs/dbraw/zinc/36/30/51/376363051.db2.gz MUDWNCBCBOLASK-BLLLJJGKSA-N 2 1 298.833 3.342 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227531637 376397546 /nfs/dbraw/zinc/39/75/46/376397546.db2.gz ZHPFUYQPLORXAM-DZGCQCFKSA-N 2 1 285.435 3.059 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000541773177 376481705 /nfs/dbraw/zinc/48/17/05/376481705.db2.gz QJTNKDOIAZSCQR-YVZNUBBCSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000541773177 376481708 /nfs/dbraw/zinc/48/17/08/376481708.db2.gz QJTNKDOIAZSCQR-YVZNUBBCSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000541773177 376481710 /nfs/dbraw/zinc/48/17/10/376481710.db2.gz QJTNKDOIAZSCQR-YVZNUBBCSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000541773177 376481713 /nfs/dbraw/zinc/48/17/13/376481713.db2.gz QJTNKDOIAZSCQR-YVZNUBBCSA-N 2 1 294.389 3.252 20 0 CGADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000229621201 376467670 /nfs/dbraw/zinc/46/76/70/376467670.db2.gz QPDUVYDPWUCDEY-HZPDHXFCSA-N 2 1 250.430 3.173 20 0 CGADMP CCC(CC)(CC)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000542151202 376511621 /nfs/dbraw/zinc/51/16/21/376511621.db2.gz DGVDTNWKNNGSHK-YESZJQIVSA-N 2 1 296.499 3.386 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000230127295 376486748 /nfs/dbraw/zinc/48/67/48/376486748.db2.gz RCAWWRVXKIQUKW-SLEUVZQESA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000230127295 376486752 /nfs/dbraw/zinc/48/67/52/376486752.db2.gz RCAWWRVXKIQUKW-SLEUVZQESA-N 2 1 282.790 3.038 20 0 CGADMP COCc1cccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000230640204 376523115 /nfs/dbraw/zinc/52/31/15/376523115.db2.gz XWJMWKLWUQUETB-UHFFFAOYSA-N 2 1 290.451 3.043 20 0 CGADMP CC1CCC(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000542506918 376549760 /nfs/dbraw/zinc/54/97/60/376549760.db2.gz NAKLSWREVRZXRR-VMWRSERWSA-N 2 1 278.484 3.476 20 0 CGADMP CC1CCC(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000542506918 376549771 /nfs/dbraw/zinc/54/97/71/376549771.db2.gz NAKLSWREVRZXRR-VMWRSERWSA-N 2 1 278.484 3.476 20 0 CGADMP Cc1ccc(CCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000542267618 376528740 /nfs/dbraw/zinc/52/87/40/376528740.db2.gz OLPIIODGLOLQEX-UHFFFAOYSA-N 2 1 286.463 3.488 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233500807 376596983 /nfs/dbraw/zinc/59/69/83/376596983.db2.gz ONJFPVVHLYCPLE-FUHWJXTLSA-N 2 1 274.452 3.358 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000543057477 376602737 /nfs/dbraw/zinc/60/27/37/376602737.db2.gz IDNXDZJAXBZKEO-CYBMUJFWSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000543057477 376602743 /nfs/dbraw/zinc/60/27/43/376602743.db2.gz IDNXDZJAXBZKEO-CYBMUJFWSA-N 2 1 266.454 3.095 20 0 CGADMP CCCC1CCC([N@@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC000232913861 376592665 /nfs/dbraw/zinc/59/26/65/376592665.db2.gz FMQWYKQYLFUTEZ-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235017647 376630051 /nfs/dbraw/zinc/63/00/51/376630051.db2.gz JSZVHWMHUIHLMR-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCO2)CC1)CC(C)C ZINC000339062371 376655281 /nfs/dbraw/zinc/65/52/81/376655281.db2.gz DEIXFMLGHQEZGO-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000339182072 376730281 /nfs/dbraw/zinc/73/02/81/376730281.db2.gz QDXSUXHRLUQBTC-ZDUSSCGKSA-N 2 1 278.827 3.222 20 0 CGADMP C[C@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC000544129499 376706875 /nfs/dbraw/zinc/70/68/75/376706875.db2.gz MHCRUFJURCQHES-MRXNPFEDSA-N 2 1 272.436 3.350 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000237532435 376747565 /nfs/dbraw/zinc/74/75/65/376747565.db2.gz WZENOKDTNGNMKO-HZPDHXFCSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000237532435 376747573 /nfs/dbraw/zinc/74/75/73/376747573.db2.gz WZENOKDTNGNMKO-HZPDHXFCSA-N 2 1 264.457 3.443 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433703 376755162 /nfs/dbraw/zinc/75/51/62/376755162.db2.gz WWJLULAWCUPQEI-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433703 376755169 /nfs/dbraw/zinc/75/51/69/376755169.db2.gz WWJLULAWCUPQEI-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433703 376755175 /nfs/dbraw/zinc/75/51/75/376755175.db2.gz WWJLULAWCUPQEI-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433703 376755181 /nfs/dbraw/zinc/75/51/81/376755181.db2.gz WWJLULAWCUPQEI-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP CC[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1[NH3+] ZINC000156104726 542127224 /nfs/dbraw/zinc/12/72/24/542127224.db2.gz VPFSRPNKKNLYHB-JSGCOSHPSA-N 2 1 268.351 3.183 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1[NH3+] ZINC000156104726 542127227 /nfs/dbraw/zinc/12/72/27/542127227.db2.gz VPFSRPNKKNLYHB-JSGCOSHPSA-N 2 1 268.351 3.183 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245568578 376857893 /nfs/dbraw/zinc/85/78/93/376857893.db2.gz FYEOYUKYKPEYBO-KBAYOESNSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245568578 376857901 /nfs/dbraw/zinc/85/79/01/376857901.db2.gz FYEOYUKYKPEYBO-KBAYOESNSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245568578 376857910 /nfs/dbraw/zinc/85/79/10/376857910.db2.gz FYEOYUKYKPEYBO-KBAYOESNSA-N 2 1 272.436 3.349 20 0 CGADMP CC(C)C[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245685579 376878187 /nfs/dbraw/zinc/87/81/87/376878187.db2.gz POVNFDGWSDZQTA-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245685579 376878192 /nfs/dbraw/zinc/87/81/92/376878192.db2.gz POVNFDGWSDZQTA-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245685579 376878201 /nfs/dbraw/zinc/87/82/01/376878201.db2.gz POVNFDGWSDZQTA-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC1CCC(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000245785148 376908093 /nfs/dbraw/zinc/90/80/93/376908093.db2.gz VDPIBNKAVUYPOG-GRAKBVBRSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000245785148 376908102 /nfs/dbraw/zinc/90/81/02/376908102.db2.gz VDPIBNKAVUYPOG-GRAKBVBRSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245785148 376908107 /nfs/dbraw/zinc/90/81/07/376908107.db2.gz VDPIBNKAVUYPOG-GRAKBVBRSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245785148 376908116 /nfs/dbraw/zinc/90/81/16/376908116.db2.gz VDPIBNKAVUYPOG-GRAKBVBRSA-N 2 1 252.446 3.227 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C[C@@H]1OC ZINC000245838959 376915657 /nfs/dbraw/zinc/91/56/57/376915657.db2.gz DBECGHXMOBUGQU-IMJJTQAJSA-N 2 1 293.455 3.011 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000246376294 377017011 /nfs/dbraw/zinc/01/70/11/377017011.db2.gz JSVRTEXWRVJADK-HUUCEWRRSA-N 2 1 252.446 3.133 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246469154 377037344 /nfs/dbraw/zinc/03/73/44/377037344.db2.gz QKEMARAUXYOCPM-RDJZCZTQSA-N 2 1 290.451 3.090 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000558220319 376986446 /nfs/dbraw/zinc/98/64/46/376986446.db2.gz NUAXHXJWAORYPK-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000558220319 376986452 /nfs/dbraw/zinc/98/64/52/376986452.db2.gz NUAXHXJWAORYPK-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246272512 377001429 /nfs/dbraw/zinc/00/14/29/377001429.db2.gz VDVQDNWHMXQEHN-BBRMVZONSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246272512 377001431 /nfs/dbraw/zinc/00/14/31/377001431.db2.gz VDVQDNWHMXQEHN-BBRMVZONSA-N 2 1 272.392 3.253 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(CC)o2)C1 ZINC000246890942 377112472 /nfs/dbraw/zinc/11/24/72/377112472.db2.gz FKIRXYZRDPZAPH-ZIAGYGMSSA-N 2 1 264.413 3.225 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(CC)o2)C1 ZINC000246890942 377112481 /nfs/dbraw/zinc/11/24/81/377112481.db2.gz FKIRXYZRDPZAPH-ZIAGYGMSSA-N 2 1 264.413 3.225 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000246897078 377113904 /nfs/dbraw/zinc/11/39/04/377113904.db2.gz FBLMANMPBFQKOD-ZIAGYGMSSA-N 2 1 250.386 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000246897078 377113910 /nfs/dbraw/zinc/11/39/10/377113910.db2.gz FBLMANMPBFQKOD-ZIAGYGMSSA-N 2 1 250.386 3.051 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246911093 377118097 /nfs/dbraw/zinc/11/80/97/377118097.db2.gz UQVBHHTUZSSFKN-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246911093 377118105 /nfs/dbraw/zinc/11/81/05/377118105.db2.gz UQVBHHTUZSSFKN-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246911093 377118113 /nfs/dbraw/zinc/11/81/13/377118113.db2.gz UQVBHHTUZSSFKN-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC000246932823 377122210 /nfs/dbraw/zinc/12/22/10/377122210.db2.gz HFXANGDCVLBKHB-JKSUJKDBSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246572466 377055004 /nfs/dbraw/zinc/05/50/04/377055004.db2.gz BWIRKHKOTHSIDH-XJKSGUPXSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246572466 377055011 /nfs/dbraw/zinc/05/50/11/377055011.db2.gz BWIRKHKOTHSIDH-XJKSGUPXSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000246572466 377055021 /nfs/dbraw/zinc/05/50/21/377055021.db2.gz BWIRKHKOTHSIDH-XJKSGUPXSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000246572466 377055027 /nfs/dbraw/zinc/05/50/27/377055027.db2.gz BWIRKHKOTHSIDH-XJKSGUPXSA-N 2 1 264.388 3.303 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)[C@@H](C)C1 ZINC000340447992 377065711 /nfs/dbraw/zinc/06/57/11/377065711.db2.gz IKMNBKRYGJBFQA-XJKSGUPXSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)[C@@H](C)C1 ZINC000340447992 377065714 /nfs/dbraw/zinc/06/57/14/377065714.db2.gz IKMNBKRYGJBFQA-XJKSGUPXSA-N 2 1 272.392 3.253 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246822363 377096039 /nfs/dbraw/zinc/09/60/39/377096039.db2.gz ARSNRRJLBKMKHQ-SOUVJXGZSA-N 2 1 276.424 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247044417 377147177 /nfs/dbraw/zinc/14/71/77/377147177.db2.gz NXUJIHZEFBQBNK-RYRKJORJSA-N 2 1 274.452 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247044417 377147185 /nfs/dbraw/zinc/14/71/85/377147185.db2.gz NXUJIHZEFBQBNK-RYRKJORJSA-N 2 1 274.452 3.452 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247145460 377168209 /nfs/dbraw/zinc/16/82/09/377168209.db2.gz WNGDABVCVIVHFH-JJXSEGSLSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247145460 377168220 /nfs/dbraw/zinc/16/82/20/377168220.db2.gz WNGDABVCVIVHFH-JJXSEGSLSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000560594368 377177651 /nfs/dbraw/zinc/17/76/51/377177651.db2.gz HGDUOYAHHJKCQC-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000560594368 377177658 /nfs/dbraw/zinc/17/76/58/377177658.db2.gz HGDUOYAHHJKCQC-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000560594368 377177663 /nfs/dbraw/zinc/17/76/63/377177663.db2.gz HGDUOYAHHJKCQC-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000561783569 377245020 /nfs/dbraw/zinc/24/50/20/377245020.db2.gz WGVYBIUKUCOMRR-HOTGVXAUSA-N 2 1 292.467 3.336 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000561783569 377245026 /nfs/dbraw/zinc/24/50/26/377245026.db2.gz WGVYBIUKUCOMRR-HOTGVXAUSA-N 2 1 292.467 3.336 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000561975369 377259871 /nfs/dbraw/zinc/25/98/71/377259871.db2.gz KDNOSOUVKJZLKM-HSALFYBXSA-N 2 1 298.474 3.454 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000248043608 377260275 /nfs/dbraw/zinc/26/02/75/377260275.db2.gz UKCAZMIVZRROSJ-XDNAFOTISA-N 2 1 296.499 3.292 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562564452 377331210 /nfs/dbraw/zinc/33/12/10/377331210.db2.gz IZVHJPAVTFYCAI-XHSDSOJGSA-N 2 1 284.488 3.290 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562564451 377331640 /nfs/dbraw/zinc/33/16/40/377331640.db2.gz IZVHJPAVTFYCAI-OWCLPIDISA-N 2 1 284.488 3.290 20 0 CGADMP C[C@H]([NH2+][C@@H]1C=CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248614676 377365179 /nfs/dbraw/zinc/36/51/79/377365179.db2.gz YOMDBWMBNXTHSF-HRCADAONSA-N 2 1 262.441 3.338 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCCCCC1 ZINC000562956142 377376456 /nfs/dbraw/zinc/37/64/56/377376456.db2.gz IGZWLXNYSVTWIA-MRXNPFEDSA-N 2 1 291.414 3.313 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000248700049 377383211 /nfs/dbraw/zinc/38/32/11/377383211.db2.gz DWALWTXDRMGIQJ-OLZOCXBDSA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000248700049 377383217 /nfs/dbraw/zinc/38/32/17/377383217.db2.gz DWALWTXDRMGIQJ-OLZOCXBDSA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000248700049 377383222 /nfs/dbraw/zinc/38/32/22/377383222.db2.gz DWALWTXDRMGIQJ-OLZOCXBDSA-N 2 1 292.389 3.381 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248700046 377383309 /nfs/dbraw/zinc/38/33/09/377383309.db2.gz DWALWTXDRMGIQJ-CHWSQXEVSA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248700046 377383312 /nfs/dbraw/zinc/38/33/12/377383312.db2.gz DWALWTXDRMGIQJ-CHWSQXEVSA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248700046 377383314 /nfs/dbraw/zinc/38/33/14/377383314.db2.gz DWALWTXDRMGIQJ-CHWSQXEVSA-N 2 1 292.389 3.381 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)C1CCCC1 ZINC000562747929 377357727 /nfs/dbraw/zinc/35/77/27/377357727.db2.gz UTDRBAUYPGWKAR-IBGZPJMESA-N 2 1 295.430 3.356 20 0 CGADMP CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249035509 377446388 /nfs/dbraw/zinc/44/63/88/377446388.db2.gz SIFOZMCCPPPVGE-OSYLJGHBSA-N 2 1 258.409 3.182 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCC2CC2)C1 ZINC000249042047 377449155 /nfs/dbraw/zinc/44/91/55/377449155.db2.gz VFDJDHGWPARZGL-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000248830348 377408969 /nfs/dbraw/zinc/40/89/69/377408969.db2.gz HGZSVNAQKSJAGL-VGUREELVSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000249096960 377460397 /nfs/dbraw/zinc/46/03/97/377460397.db2.gz MKKJELVXYDWWIO-KBAYOESNSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000092566794 249034560 /nfs/dbraw/zinc/03/45/60/249034560.db2.gz JGIJEHXBYJKQHY-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649241 249002640 /nfs/dbraw/zinc/00/26/40/249002640.db2.gz JWTTZLZLOIUCMP-KSSFIOAISA-N 2 1 288.435 3.220 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C(C)C ZINC000360973825 249113693 /nfs/dbraw/zinc/11/36/93/249113693.db2.gz KNSIQFAOFYRYGT-RCCFBDPRSA-N 2 1 296.499 3.290 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccn1 ZINC000250058752 377548868 /nfs/dbraw/zinc/54/88/68/377548868.db2.gz MSLZGVMXSIEXDT-VNHYZAJKSA-N 2 1 293.480 3.012 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccn1 ZINC000250058752 377548878 /nfs/dbraw/zinc/54/88/78/377548878.db2.gz MSLZGVMXSIEXDT-VNHYZAJKSA-N 2 1 293.480 3.012 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000469864811 249160590 /nfs/dbraw/zinc/16/05/90/249160590.db2.gz GNWCIQXNSRDSQK-CHWSQXEVSA-N 2 1 288.366 3.255 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251007173 377570675 /nfs/dbraw/zinc/57/06/75/377570675.db2.gz SFVOGFLYWSTHQO-COXVUDFISA-N 2 1 292.854 3.487 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251330933 377580537 /nfs/dbraw/zinc/58/05/37/377580537.db2.gz OGNWEZLRTROZDT-QAETUUGQSA-N 2 1 264.457 3.418 20 0 CGADMP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251425246 377582774 /nfs/dbraw/zinc/58/27/74/377582774.db2.gz STLJZSAHQXBKAO-CVEARBPZSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC[C@@H](C)N1[C@@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000515578811 249215957 /nfs/dbraw/zinc/21/59/57/249215957.db2.gz VHDMSQBPGXDOMA-RBSFLKMASA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CC[C@@H](C)N1[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000515578811 249215959 /nfs/dbraw/zinc/21/59/59/249215959.db2.gz VHDMSQBPGXDOMA-RBSFLKMASA-N 2 1 250.430 3.124 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000573844544 377583610 /nfs/dbraw/zinc/58/36/10/377583610.db2.gz AYWRBEGVKVJUCB-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](CC1CC1)C1CCCCC1 ZINC000516083617 249225369 /nfs/dbraw/zinc/22/53/69/249225369.db2.gz ZCCZGXGELVTLAE-UHFFFAOYSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000516083617 249225372 /nfs/dbraw/zinc/22/53/72/249225372.db2.gz ZCCZGXGELVTLAE-UHFFFAOYSA-N 2 1 275.440 3.397 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cs2)cc1 ZINC000516970313 249252009 /nfs/dbraw/zinc/25/20/09/249252009.db2.gz HWRQJSCKPRKLII-OLZOCXBDSA-N 2 1 289.448 3.334 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251769704 377598683 /nfs/dbraw/zinc/59/86/83/377598683.db2.gz DZOLVKUBGKPJSX-OLMNGRFOSA-N 2 1 250.430 3.028 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)ccc2c1 ZINC000251902147 377603125 /nfs/dbraw/zinc/60/31/25/377603125.db2.gz WMUBETISEREAJW-FZKQIMNGSA-N 2 1 284.403 3.018 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252392125 377619212 /nfs/dbraw/zinc/61/92/12/377619212.db2.gz SYKFBRHREMIHMV-YHUYYLMFSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252392125 377619219 /nfs/dbraw/zinc/61/92/19/377619219.db2.gz SYKFBRHREMIHMV-YHUYYLMFSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252756706 377662838 /nfs/dbraw/zinc/66/28/38/377662838.db2.gz DSYQDHAENROTIW-UMNHJUIQSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252756706 377662846 /nfs/dbraw/zinc/66/28/46/377662846.db2.gz DSYQDHAENROTIW-UMNHJUIQSA-N 2 1 270.779 3.209 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000574486607 377671439 /nfs/dbraw/zinc/67/14/39/377671439.db2.gz KXICGAKNGOFXKG-QGZVFWFLSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000342622969 377693695 /nfs/dbraw/zinc/69/36/95/377693695.db2.gz GZYIGBNZTISXNX-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1cccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182212002 542223507 /nfs/dbraw/zinc/22/35/07/542223507.db2.gz KDTMSYGVMKHVRI-JKSUJKDBSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182212002 542223510 /nfs/dbraw/zinc/22/35/10/542223510.db2.gz KDTMSYGVMKHVRI-JKSUJKDBSA-N 2 1 274.383 3.031 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000261583190 377823928 /nfs/dbraw/zinc/82/39/28/377823928.db2.gz RRIVFXBALDBCNH-AEJSXWLSSA-N 2 1 260.303 3.092 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261607296 377826152 /nfs/dbraw/zinc/82/61/52/377826152.db2.gz RQXALFPAIWXFSF-STQMWFEESA-N 2 1 278.465 3.087 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261607296 377826161 /nfs/dbraw/zinc/82/61/61/377826161.db2.gz RQXALFPAIWXFSF-STQMWFEESA-N 2 1 278.465 3.087 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261612050 377826490 /nfs/dbraw/zinc/82/64/90/377826490.db2.gz FCRHOWXWYIVOJK-CRAIPNDOSA-N 2 1 280.415 3.364 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261648746 377833113 /nfs/dbraw/zinc/83/31/13/377833113.db2.gz QPJNHZZMMIOHNO-KSSFIOAISA-N 2 1 270.420 3.138 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261929387 377869334 /nfs/dbraw/zinc/86/93/34/377869334.db2.gz ZQIXCASGFJLIGC-HUUCEWRRSA-N 2 1 268.351 3.087 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3cnccc32)CC[N@@H+]1C ZINC000183357039 542230254 /nfs/dbraw/zinc/23/02/54/542230254.db2.gz WTHIZKWQKJIOOG-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3cnccc32)CC[N@H+]1C ZINC000183357039 542230260 /nfs/dbraw/zinc/23/02/60/542230260.db2.gz WTHIZKWQKJIOOG-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3cnccc32)CC[NH+]1C ZINC000183357039 542230265 /nfs/dbraw/zinc/23/02/65/542230265.db2.gz WTHIZKWQKJIOOG-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3cnccc32)CC[NH+]1C ZINC000183357039 542230270 /nfs/dbraw/zinc/23/02/70/542230270.db2.gz WTHIZKWQKJIOOG-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261929387 377869337 /nfs/dbraw/zinc/86/93/37/377869337.db2.gz ZQIXCASGFJLIGC-HUUCEWRRSA-N 2 1 268.351 3.087 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261971076 377873635 /nfs/dbraw/zinc/87/36/35/377873635.db2.gz IGUKBIXNGSSHBW-DLBZAZTESA-N 2 1 260.425 3.315 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]C1 ZINC000262007837 377877310 /nfs/dbraw/zinc/87/73/10/377877310.db2.gz LZIBISMKZBDBKN-ZBFHGGJFSA-N 2 1 278.827 3.129 20 0 CGADMP CN(CC[N@@H+](C)C1CC1)c1ccnc2c(Cl)cccc12 ZINC000342863635 377847271 /nfs/dbraw/zinc/84/72/71/377847271.db2.gz AYGGLOIBWYHQPI-UHFFFAOYSA-N 2 1 289.810 3.419 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261756893 377848756 /nfs/dbraw/zinc/84/87/56/377848756.db2.gz UNJLFWPZRYSNNH-ZLDLUXBVSA-N 2 1 296.361 3.033 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261756893 377848764 /nfs/dbraw/zinc/84/87/64/377848764.db2.gz UNJLFWPZRYSNNH-ZLDLUXBVSA-N 2 1 296.361 3.033 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268918789 378153243 /nfs/dbraw/zinc/15/32/43/378153243.db2.gz PTCUMRANANLTBP-KGLIPLIRSA-N 2 1 299.418 3.209 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000578941634 378115138 /nfs/dbraw/zinc/11/51/38/378115138.db2.gz OGOOPUPZTOVLIU-WCXIOVBPSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000578941634 378115143 /nfs/dbraw/zinc/11/51/43/378115143.db2.gz OGOOPUPZTOVLIU-WCXIOVBPSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578989025 378118331 /nfs/dbraw/zinc/11/83/31/378118331.db2.gz VQSOJUPOXBKLEY-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578989025 378118335 /nfs/dbraw/zinc/11/83/35/378118335.db2.gz VQSOJUPOXBKLEY-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC1 ZINC000268815093 378119658 /nfs/dbraw/zinc/11/96/58/378119658.db2.gz PLHJSFNGGOJPRZ-MAUKXSAKSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC1 ZINC000268815093 378119661 /nfs/dbraw/zinc/11/96/61/378119661.db2.gz PLHJSFNGGOJPRZ-MAUKXSAKSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268825173 378123141 /nfs/dbraw/zinc/12/31/41/378123141.db2.gz TYBQPRIMKKPBAM-CRAIPNDOSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000268825173 378123144 /nfs/dbraw/zinc/12/31/44/378123144.db2.gz TYBQPRIMKKPBAM-CRAIPNDOSA-N 2 1 272.436 3.429 20 0 CGADMP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000268834094 378127402 /nfs/dbraw/zinc/12/74/02/378127402.db2.gz RNZVNOLRTGHEQW-GJZGRUSLSA-N 2 1 278.440 3.040 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(C)cc1 ZINC000268778960 378107657 /nfs/dbraw/zinc/10/76/57/378107657.db2.gz BPXHQHZNGGRMLO-MRXNPFEDSA-N 2 1 257.381 3.241 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1F ZINC000268783990 378108991 /nfs/dbraw/zinc/10/89/91/378108991.db2.gz DANGECIFESYPBP-HNNXBMFYSA-N 2 1 279.334 3.211 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000579837624 378200694 /nfs/dbraw/zinc/20/06/94/378200694.db2.gz KGXXSGKBXNINCN-FUHWJXTLSA-N 2 1 274.452 3.358 20 0 CGADMP CC[N@H+]1CC[C@@H](NCc2cc(F)ccc2SC)[C@@H](C)C1 ZINC000345167643 378210584 /nfs/dbraw/zinc/21/05/84/378210584.db2.gz RXZVONBGYBCLJL-SWLSCSKDSA-N 2 1 296.455 3.368 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2SC)[C@@H](C)C1 ZINC000345167643 378210587 /nfs/dbraw/zinc/21/05/87/378210587.db2.gz RXZVONBGYBCLJL-SWLSCSKDSA-N 2 1 296.455 3.368 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000268943243 378159276 /nfs/dbraw/zinc/15/92/76/378159276.db2.gz VZXWVAZGKFWBAS-UMPJEAMMSA-N 2 1 278.415 3.248 20 0 CGADMP CCC(CC)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000580956242 378271681 /nfs/dbraw/zinc/27/16/81/378271681.db2.gz OSJDPALFZYXMPF-UHFFFAOYSA-N 2 1 272.436 3.485 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581038312 378277060 /nfs/dbraw/zinc/27/70/60/378277060.db2.gz CSUQBFLMSOSNOW-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000581038312 378277066 /nfs/dbraw/zinc/27/70/66/378277066.db2.gz CSUQBFLMSOSNOW-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000582056951 378282987 /nfs/dbraw/zinc/28/29/87/378282987.db2.gz ICIJJZZPNNIUEZ-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000582056951 378282996 /nfs/dbraw/zinc/28/29/96/378282996.db2.gz ICIJJZZPNNIUEZ-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP c1cn(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000269979648 378289305 /nfs/dbraw/zinc/28/93/05/378289305.db2.gz QRTUARUKYQDWAT-MSOLQXFVSA-N 2 1 297.446 3.248 20 0 CGADMP c1cn(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000269979655 378289716 /nfs/dbraw/zinc/28/97/16/378289716.db2.gz QRTUARUKYQDWAT-ZWKOTPCHSA-N 2 1 297.446 3.248 20 0 CGADMP CC[N@H+](Cc1cc(OC)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345214048 378225550 /nfs/dbraw/zinc/22/55/50/378225550.db2.gz VXFFHNIBPVEOJH-AWEZNQCLSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1cc(OC)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345214048 378225555 /nfs/dbraw/zinc/22/55/55/378225555.db2.gz VXFFHNIBPVEOJH-AWEZNQCLSA-N 2 1 296.842 3.313 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000270598377 378373487 /nfs/dbraw/zinc/37/34/87/378373487.db2.gz GJBKMNZYSVFKSI-GOSISDBHSA-N 2 1 283.419 3.146 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000270598377 378373496 /nfs/dbraw/zinc/37/34/96/378373496.db2.gz GJBKMNZYSVFKSI-GOSISDBHSA-N 2 1 283.419 3.146 20 0 CGADMP COc1ccc2oc(C[NH2+]CCCn3cc[nH+]c3C)cc2c1 ZINC000270604958 378374228 /nfs/dbraw/zinc/37/42/28/378374228.db2.gz GOBMCNGWCGPOGK-UHFFFAOYSA-N 2 1 299.374 3.126 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)CCn2cc[nH+]c2C)s1 ZINC000270619541 378376413 /nfs/dbraw/zinc/37/64/13/378376413.db2.gz DCIXLJLYGPLEAC-LBPRGKRZSA-N 2 1 292.452 3.212 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CCn2cc[nH+]c2C)s1 ZINC000270619541 378376421 /nfs/dbraw/zinc/37/64/21/378376421.db2.gz DCIXLJLYGPLEAC-LBPRGKRZSA-N 2 1 292.452 3.212 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC000271172647 378471101 /nfs/dbraw/zinc/47/11/01/378471101.db2.gz FVVXJGCDOYKIHF-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC000271172647 378471105 /nfs/dbraw/zinc/47/11/05/378471105.db2.gz FVVXJGCDOYKIHF-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000271172647 378471112 /nfs/dbraw/zinc/47/11/12/378471112.db2.gz FVVXJGCDOYKIHF-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000271172647 378471116 /nfs/dbraw/zinc/47/11/16/378471116.db2.gz FVVXJGCDOYKIHF-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000271952739 378528682 /nfs/dbraw/zinc/52/86/82/378528682.db2.gz DYCXYUVXUXGJEW-BKVYNOPKSA-N 2 1 284.447 3.323 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000346210788 378506430 /nfs/dbraw/zinc/50/64/30/378506430.db2.gz WCLGUUWWLWJCDF-QWRGUYRKSA-N 2 1 277.334 3.148 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000346271581 378527861 /nfs/dbraw/zinc/52/78/61/378527861.db2.gz FXPJVOVGDXJEJB-GOSISDBHSA-N 2 1 283.419 3.207 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000346271581 378527863 /nfs/dbraw/zinc/52/78/63/378527863.db2.gz FXPJVOVGDXJEJB-GOSISDBHSA-N 2 1 283.419 3.207 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000346276614 378530674 /nfs/dbraw/zinc/53/06/74/378530674.db2.gz LNXSHUFSRFUAAI-CRAIPNDOSA-N 2 1 283.419 3.317 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000346276614 378530678 /nfs/dbraw/zinc/53/06/78/378530678.db2.gz LNXSHUFSRFUAAI-CRAIPNDOSA-N 2 1 283.419 3.317 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000272284508 378604432 /nfs/dbraw/zinc/60/44/32/378604432.db2.gz NEIHQKMFEYMTSA-KBXCAEBGSA-N 2 1 283.419 3.413 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000346562546 378621715 /nfs/dbraw/zinc/62/17/15/378621715.db2.gz NSLYNYQIYSOEMA-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP CCSCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272381745 378625486 /nfs/dbraw/zinc/62/54/86/378625486.db2.gz BWPDUEMDMBRZIO-RDJZCZTQSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000346654062 378662647 /nfs/dbraw/zinc/66/26/47/378662647.db2.gz RDMBZVWUEVFQJO-GHMZBOCLSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000346654062 378662649 /nfs/dbraw/zinc/66/26/49/378662649.db2.gz RDMBZVWUEVFQJO-GHMZBOCLSA-N 2 1 293.461 3.041 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000346602860 378642402 /nfs/dbraw/zinc/64/24/02/378642402.db2.gz LWCSCRRLGYANSF-KNCOVGOOSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)sn1 ZINC000637958086 378647040 /nfs/dbraw/zinc/64/70/40/378647040.db2.gz LQUGNVZYHBYTMV-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347027103 378705967 /nfs/dbraw/zinc/70/59/67/378705967.db2.gz ULQPJTYFIQSKIT-UHFFFAOYSA-N 2 1 266.816 3.141 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000347923583 378730263 /nfs/dbraw/zinc/73/02/63/378730263.db2.gz OLIDAPHDOYAWDH-IAGOWNOFSA-N 3 1 289.467 3.175 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000347923583 378730266 /nfs/dbraw/zinc/73/02/66/378730266.db2.gz OLIDAPHDOYAWDH-IAGOWNOFSA-N 3 1 289.467 3.175 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC1(F)F ZINC000638311522 378766677 /nfs/dbraw/zinc/76/66/77/378766677.db2.gz ZWHVADCGTWYLGT-ZFWWWQNUSA-N 2 1 282.378 3.142 20 0 CGADMP C[N@H+](CCOc1ccccc1Cl)CC[C@@H]1CCC[NH+]1C ZINC000348071467 378777563 /nfs/dbraw/zinc/77/75/63/378777563.db2.gz JRDRSYIAPXRJGQ-AWEZNQCLSA-N 2 1 296.842 3.135 20 0 CGADMP C[N@@H+](CCOc1ccccc1Cl)CC[C@@H]1CCC[NH+]1C ZINC000348071467 378777570 /nfs/dbraw/zinc/77/75/70/378777570.db2.gz JRDRSYIAPXRJGQ-AWEZNQCLSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1ccccc1Cl)CC[C@@H]1CCC[N@@H+]1C ZINC000348071467 378777576 /nfs/dbraw/zinc/77/75/76/378777576.db2.gz JRDRSYIAPXRJGQ-AWEZNQCLSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1ccccc1Cl)CC[C@@H]1CCC[N@H+]1C ZINC000348071467 378777584 /nfs/dbraw/zinc/77/75/84/378777584.db2.gz JRDRSYIAPXRJGQ-AWEZNQCLSA-N 2 1 296.842 3.135 20 0 CGADMP CCOC1CC(C[NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638409161 378793856 /nfs/dbraw/zinc/79/38/56/378793856.db2.gz VGPBDRMDEDNFEF-RYTJFDOTSA-N 2 1 296.499 3.148 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000274361403 378819986 /nfs/dbraw/zinc/81/99/86/378819986.db2.gz NMESNQCIQLGIJK-UHFFFAOYSA-N 2 1 293.430 3.165 20 0 CGADMP CCOC1CC(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000638562340 378835816 /nfs/dbraw/zinc/83/58/16/378835816.db2.gz BUZKVCJIRFLUNE-UHFFFAOYSA-N 2 1 290.451 3.043 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@H]21 ZINC000346838317 218029938 /nfs/dbraw/zinc/02/99/38/218029938.db2.gz WXUXOUYLEZDLQT-FVQBIDKESA-N 2 1 286.444 3.461 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(C)n1 ZINC000346872307 218042436 /nfs/dbraw/zinc/04/24/36/218042436.db2.gz GJKHZUKELPQDDK-ZIAGYGMSSA-N 2 1 290.455 3.009 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348252836 378867060 /nfs/dbraw/zinc/86/70/60/378867060.db2.gz CARMWNSCZMVYGZ-XIRDDKMYSA-N 2 1 260.425 3.110 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348252836 378867065 /nfs/dbraw/zinc/86/70/65/378867065.db2.gz CARMWNSCZMVYGZ-XIRDDKMYSA-N 2 1 260.425 3.110 20 0 CGADMP CC(C)O[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000638707705 378882553 /nfs/dbraw/zinc/88/25/53/378882553.db2.gz KLUFSUVVIDZUEQ-BPQIPLTHSA-N 2 1 290.451 3.225 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000347004335 218088450 /nfs/dbraw/zinc/08/84/50/218088450.db2.gz AUSLSEYFBCERJB-UXLLHSPISA-N 2 1 260.425 3.239 20 0 CGADMP c1cncc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000346989910 218081644 /nfs/dbraw/zinc/08/16/44/218081644.db2.gz HLDGCXXBXQPEBH-QGZVFWFLSA-N 2 1 273.424 3.095 20 0 CGADMP c1cncc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000346989910 218081645 /nfs/dbraw/zinc/08/16/45/218081645.db2.gz HLDGCXXBXQPEBH-QGZVFWFLSA-N 2 1 273.424 3.095 20 0 CGADMP C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346993012 218082645 /nfs/dbraw/zinc/08/26/45/218082645.db2.gz UIDXGVJGRUYYLW-FUHWJXTLSA-N 2 1 272.436 3.040 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(C)c1OC(F)F ZINC000347051867 218105211 /nfs/dbraw/zinc/10/52/11/218105211.db2.gz RQCIGXDXORHSKJ-OCCSQVGLSA-N 2 1 298.377 3.074 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000276623682 378968936 /nfs/dbraw/zinc/96/89/36/378968936.db2.gz ILXPFGLMYNIBND-SFHVURJKSA-N 2 1 283.419 3.484 20 0 CGADMP CCC[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000347180599 218147418 /nfs/dbraw/zinc/14/74/18/218147418.db2.gz UZOBCJQRJZHKOD-RDJZCZTQSA-N 2 1 260.425 3.241 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)CC1 ZINC000639105693 379030487 /nfs/dbraw/zinc/03/04/87/379030487.db2.gz UURQQKUSYMSVFA-MRXNPFEDSA-N 2 1 283.419 3.151 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000191603229 542260924 /nfs/dbraw/zinc/26/09/24/542260924.db2.gz FTDDMVFUKSOYFE-KRWDZBQOSA-N 2 1 274.452 3.185 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639169591 379088214 /nfs/dbraw/zinc/08/82/14/379088214.db2.gz GQFHJDMJOSCETD-CAMMJAKZSA-N 2 1 286.463 3.499 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C/C=C/c1ccncc1 ZINC000349153097 379171584 /nfs/dbraw/zinc/17/15/84/379171584.db2.gz RHLVXBAPJGTJIO-GQCTYLIASA-N 2 1 298.434 3.266 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C/C=C/c1ccncc1 ZINC000349153097 379171595 /nfs/dbraw/zinc/17/15/95/379171595.db2.gz RHLVXBAPJGTJIO-GQCTYLIASA-N 2 1 298.434 3.266 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000371747968 379174631 /nfs/dbraw/zinc/17/46/31/379174631.db2.gz UNUVIVBIUXVQGL-SFHVURJKSA-N 2 1 283.419 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000371747968 379174638 /nfs/dbraw/zinc/17/46/38/379174638.db2.gz UNUVIVBIUXVQGL-SFHVURJKSA-N 2 1 283.419 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C\c1ccccc1 ZINC000349356209 379247666 /nfs/dbraw/zinc/24/76/66/379247666.db2.gz VXEPSSGPMUCWLV-POHAHGRESA-N 2 1 269.392 3.227 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C\c1ccccc1 ZINC000349356209 379247674 /nfs/dbraw/zinc/24/76/74/379247674.db2.gz VXEPSSGPMUCWLV-POHAHGRESA-N 2 1 269.392 3.227 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OCC)c(F)c1 ZINC000349381518 379262349 /nfs/dbraw/zinc/26/23/49/379262349.db2.gz GTXHKFXIJXIYFP-UHFFFAOYSA-N 2 1 296.430 3.388 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC)c(F)c1 ZINC000349381518 379262352 /nfs/dbraw/zinc/26/23/52/379262352.db2.gz GTXHKFXIJXIYFP-UHFFFAOYSA-N 2 1 296.430 3.388 20 0 CGADMP Cc1nccn1CCC[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000349410501 379269376 /nfs/dbraw/zinc/26/93/76/379269376.db2.gz VCSOPABMBQGAMR-CQSZACIVSA-N 2 1 289.398 3.456 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000349410501 379269383 /nfs/dbraw/zinc/26/93/83/379269383.db2.gz VCSOPABMBQGAMR-CQSZACIVSA-N 2 1 289.398 3.456 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000349410501 379269391 /nfs/dbraw/zinc/26/93/91/379269391.db2.gz VCSOPABMBQGAMR-CQSZACIVSA-N 2 1 289.398 3.456 20 0 CGADMP c1cc2[nH+]ccc(NC3CC([NH+]4CCCCC4)C3)c2s1 ZINC000373678325 379318929 /nfs/dbraw/zinc/31/89/29/379318929.db2.gz ANURMJDTIVYQAS-UHFFFAOYSA-N 2 1 287.432 3.147 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000349644858 379329669 /nfs/dbraw/zinc/32/96/69/379329669.db2.gz IWHRXUWDMSNNJC-XJKSGUPXSA-N 2 1 278.465 3.228 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1F ZINC000278999426 194246379 /nfs/dbraw/zinc/24/63/79/194246379.db2.gz RFUJCKUZNUMNIK-CJNGLKHVSA-N 2 1 287.382 3.326 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757340 379572227 /nfs/dbraw/zinc/57/22/27/379572227.db2.gz GLUDIWMMERPTFR-ZDUSSCGKSA-N 2 1 294.389 3.444 20 0 CGADMP Cc1ccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c[nH]c2c1 ZINC000377075595 379630638 /nfs/dbraw/zinc/63/06/38/379630638.db2.gz CADJWFUIUNDPHT-ALOPSCKCSA-N 2 1 297.446 3.234 20 0 CGADMP c1cc2c(nc[nH+]c2NC2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC000267095781 190303458 /nfs/dbraw/zinc/30/34/58/190303458.db2.gz VSADOLZJIGVMQK-UHFFFAOYSA-N 2 1 299.422 3.167 20 0 CGADMP CC[C@](C)([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000639928468 379649951 /nfs/dbraw/zinc/64/99/51/379649951.db2.gz MCRFCPZMPRWQHF-INIZCTEOSA-N 2 1 275.371 3.246 20 0 CGADMP CC(C)(C)OCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982575 379672580 /nfs/dbraw/zinc/67/25/80/379672580.db2.gz RBTGYTQBTVCWGL-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CCOCC2CCC2)CC1 ZINC000639987011 379676337 /nfs/dbraw/zinc/67/63/37/379676337.db2.gz DSFHGRMSMJAHIY-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCCOc1ccccc1 ZINC000352508926 379839756 /nfs/dbraw/zinc/83/97/56/379839756.db2.gz IMMVRHIJDSFAGO-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535138 379846667 /nfs/dbraw/zinc/84/66/67/379846667.db2.gz NEAFPQGTEPNFCS-GOSISDBHSA-N 2 1 284.403 3.317 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352540138 379849335 /nfs/dbraw/zinc/84/93/35/379849335.db2.gz HNZRSYZOGUGHNL-WBVHZDCISA-N 2 1 260.425 3.069 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@@H+](CCC3CCCCCC3)[C@@H]2C1 ZINC000571327979 322295965 /nfs/dbraw/zinc/29/59/65/322295965.db2.gz GNDJLGZVEYOATI-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000352838912 379995249 /nfs/dbraw/zinc/99/52/49/379995249.db2.gz HBXVVLCCRVFVSW-NWDGAFQWSA-N 2 1 282.478 3.186 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000352838912 379995255 /nfs/dbraw/zinc/99/52/55/379995255.db2.gz HBXVVLCCRVFVSW-NWDGAFQWSA-N 2 1 282.478 3.186 20 0 CGADMP CC(CC[NH+]1CC[C@@H](C)C1)CC[N@H+]1CC[C@@H](C)C1 ZINC000411215759 380136778 /nfs/dbraw/zinc/13/67/78/380136778.db2.gz RYMQNDHCHGDGHG-HZPDHXFCSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000414176034 380200154 /nfs/dbraw/zinc/20/01/54/380200154.db2.gz HVTPQTIOTDJPME-YOEHRIQHSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000353577865 380212983 /nfs/dbraw/zinc/21/29/83/380212983.db2.gz QPIZEZKYGNWLHV-MRXNPFEDSA-N 2 1 295.515 3.102 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C[C@@H]1OC ZINC000353612519 380215683 /nfs/dbraw/zinc/21/56/83/380215683.db2.gz JSMXLRAWRWGTIM-UTSKFRMZSA-N 2 1 294.483 3.043 20 0 CGADMP Cc1ccc(CCC[NH2+]CC(C)(C)[NH+]2CCCCC2)cn1 ZINC000353932574 380242070 /nfs/dbraw/zinc/24/20/70/380242070.db2.gz MYTGGVNXKZIBJA-UHFFFAOYSA-N 2 1 289.467 3.177 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](CC)c1cc(Cl)ccc1OC ZINC000643498882 380320426 /nfs/dbraw/zinc/32/04/26/380320426.db2.gz QQPDRGKYMNVAHG-CQSZACIVSA-N 2 1 284.831 3.389 20 0 CGADMP c1ccc([C@H]2CCCC[C@@H]([NH2+]CC[NH2+]C3CC3)C2)cc1 ZINC000643507323 380330520 /nfs/dbraw/zinc/33/05/20/380330520.db2.gz ZCWNXBQSRGYQTK-FUHWJXTLSA-N 2 1 272.436 3.445 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000414677738 380367094 /nfs/dbraw/zinc/36/70/94/380367094.db2.gz JMAWTSVAPUEHTK-QWHCGFSZSA-N 2 1 252.427 3.258 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000414677738 380367101 /nfs/dbraw/zinc/36/71/01/380367101.db2.gz JMAWTSVAPUEHTK-QWHCGFSZSA-N 2 1 252.427 3.258 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2)C[C@H]1C ZINC000354222743 380368113 /nfs/dbraw/zinc/36/81/13/380368113.db2.gz MHTIFODNXUMHJR-ZBFHGGJFSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCOc2ccccc2Cl)CC[NH2+]1 ZINC000414684780 380372621 /nfs/dbraw/zinc/37/26/21/380372621.db2.gz WSTMLZWIIGDELB-KBPBESRZSA-N 2 1 296.842 3.039 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)oc2cc1C ZINC000414771542 380396261 /nfs/dbraw/zinc/39/62/61/380396261.db2.gz RIUAREUKDHWPKI-IYBDPMFKSA-N 2 1 298.430 3.481 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414693214 380376205 /nfs/dbraw/zinc/37/62/05/380376205.db2.gz LMCGIRLXFSODDN-OSMZGAPFSA-N 2 1 281.469 3.141 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414696591 380379059 /nfs/dbraw/zinc/37/90/59/380379059.db2.gz BAIKPUNRFOHCKG-HPFXQQBRSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000414698658 380380271 /nfs/dbraw/zinc/38/02/71/380380271.db2.gz SGTXQSPTLHDLSZ-BZUAXINKSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000414698656 380380361 /nfs/dbraw/zinc/38/03/61/380380361.db2.gz SGTXQSPTLHDLSZ-ARFHVFGLSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414745749 380391603 /nfs/dbraw/zinc/39/16/03/380391603.db2.gz PVVPKCNUOYMJOY-RVKKMQEKSA-N 2 1 290.426 3.177 20 0 CGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643529019 380346829 /nfs/dbraw/zinc/34/68/29/380346829.db2.gz SSOJQYPEIIKDKX-UONOGXRCSA-N 2 1 284.403 3.360 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC[NH2+]1 ZINC000414663569 380358321 /nfs/dbraw/zinc/35/83/21/380358321.db2.gz BKCFPZXVDFAKSW-HIFRSBDPSA-N 2 1 276.399 3.178 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2cccc(F)c2)C2CC2)CC[NH2+]1 ZINC000414668532 380360517 /nfs/dbraw/zinc/36/05/17/380360517.db2.gz AEAFHWDYDDMKQI-HIFRSBDPSA-N 2 1 276.399 3.178 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547348 380361313 /nfs/dbraw/zinc/36/13/13/380361313.db2.gz DFIFAUXKSQMUAI-BLLLJJGKSA-N 2 1 292.373 3.216 20 0 CGADMP CC[N@H+](Cc1ccccc1C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414670670 380361785 /nfs/dbraw/zinc/36/17/85/380361785.db2.gz DPHUPSRNPIOKSQ-HOTGVXAUSA-N 2 1 260.425 3.205 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414812639 380424194 /nfs/dbraw/zinc/42/41/94/380424194.db2.gz LDCJQPYFZCBUNI-IUODEOHRSA-N 2 1 268.832 3.378 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414816554 380428539 /nfs/dbraw/zinc/42/85/39/380428539.db2.gz PZRQCBLCQGNSIP-LBPRGKRZSA-N 2 1 290.329 3.192 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414815646 380428573 /nfs/dbraw/zinc/42/85/73/380428573.db2.gz XWVNXIDMGNTGDJ-UHFFFAOYSA-N 2 1 277.437 3.212 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830490 380439995 /nfs/dbraw/zinc/43/99/95/380439995.db2.gz BCCPFXFGLOKCIQ-MAUKXSAKSA-N 2 1 274.452 3.423 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414837245 380443737 /nfs/dbraw/zinc/44/37/37/380443737.db2.gz JGQWPLUSNIFJCK-XJKSGUPXSA-N 2 1 266.404 3.110 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414837243 380444278 /nfs/dbraw/zinc/44/42/78/380444278.db2.gz JGQWPLUSNIFJCK-CJNGLKHVSA-N 2 1 266.404 3.110 20 0 CGADMP CCCC[C@@H](CC)CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414771694 380397406 /nfs/dbraw/zinc/39/74/06/380397406.db2.gz AGYOJMUBPWJVPU-IAGOWNOFSA-N 2 1 296.499 3.280 20 0 CGADMP Fc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777896 380400344 /nfs/dbraw/zinc/40/03/44/380400344.db2.gz IOJWFNXUNARZTR-STQMWFEESA-N 2 1 296.817 3.301 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414780903 380400909 /nfs/dbraw/zinc/40/09/09/380400909.db2.gz MCZMDDWBTHGKPK-ZWKOTPCHSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414788090 380405174 /nfs/dbraw/zinc/40/51/74/380405174.db2.gz WEKJLCNSUCHOQO-JKSUJKDBSA-N 2 1 292.854 3.470 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789641 380406664 /nfs/dbraw/zinc/40/66/64/380406664.db2.gz YJSWMRGGIVTAAA-KBPBESRZSA-N 2 1 278.827 3.162 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414791685 380407381 /nfs/dbraw/zinc/40/73/81/380407381.db2.gz QTFLAKSCZWMULY-GOSISDBHSA-N 2 1 270.420 3.140 20 0 CGADMP CCCc1csc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)n1 ZINC000414809425 380421673 /nfs/dbraw/zinc/42/16/73/380421673.db2.gz GOTWBVVSXUQLDG-LBPRGKRZSA-N 2 1 289.448 3.405 20 0 CGADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(Cl)c1 ZINC000414942029 380499910 /nfs/dbraw/zinc/49/99/10/380499910.db2.gz ZDENMRCNOXWAKW-JMSVASOKSA-N 2 1 266.816 3.031 20 0 CGADMP C[NH2+]CCC[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000414863941 380463858 /nfs/dbraw/zinc/46/38/58/380463858.db2.gz YFHMFSZQAWYMCQ-UHFFFAOYSA-N 2 1 284.403 3.061 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414867225 380465269 /nfs/dbraw/zinc/46/52/69/380465269.db2.gz HZKDKAHYZXPTSS-IAGOWNOFSA-N 2 1 260.425 3.086 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414874817 380470585 /nfs/dbraw/zinc/47/05/85/380470585.db2.gz ZJWWMSPBJYCGCV-RANZSIQMSA-N 2 1 272.436 3.300 20 0 CGADMP Clc1ccc(CCCC[NH2+][C@@H]2CC[NH2+]C2)cc1Cl ZINC000414889107 380475667 /nfs/dbraw/zinc/47/56/67/380475667.db2.gz STWPGSIUJFPYKQ-GFCCVEGCSA-N 2 1 287.234 3.268 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000414895195 380477470 /nfs/dbraw/zinc/47/74/70/380477470.db2.gz MVGMONHSIYXKAH-OAHLLOKOSA-N 2 1 272.417 3.242 20 0 CGADMP C[C@@]1(C[NH2+]Cc2cnc(C3CCCC3)s2)CCC[NH2+]C1 ZINC000414901262 380482780 /nfs/dbraw/zinc/48/27/80/380482780.db2.gz JLNZHRAVTGWHKJ-MRXNPFEDSA-N 2 1 293.480 3.280 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644843068 380527869 /nfs/dbraw/zinc/52/78/69/380527869.db2.gz MEYBECYZGOOQHH-XOQYZJNISA-N 2 1 270.420 3.118 20 0 CGADMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644843068 380527873 /nfs/dbraw/zinc/52/78/73/380527873.db2.gz MEYBECYZGOOQHH-XOQYZJNISA-N 2 1 270.420 3.118 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644843068 380527878 /nfs/dbraw/zinc/52/78/78/380527878.db2.gz MEYBECYZGOOQHH-XOQYZJNISA-N 2 1 270.420 3.118 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1C(C)(C)C1(C)C ZINC000355120495 380583472 /nfs/dbraw/zinc/58/34/72/380583472.db2.gz GZUOTIAHKWPGAO-HUUCEWRRSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]([NH2+]CC1=CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000645854116 380753558 /nfs/dbraw/zinc/75/35/58/380753558.db2.gz VKTYLXRARXIWEA-GDBMZVCRSA-N 2 1 262.441 3.339 20 0 CGADMP C[N@H+](CCSc1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000355745993 380767078 /nfs/dbraw/zinc/76/70/78/380767078.db2.gz GXWLGSJIMQUREU-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP C[N@@H+](CCSc1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000355745993 380767083 /nfs/dbraw/zinc/76/70/83/380767083.db2.gz GXWLGSJIMQUREU-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP C[NH+](CCSc1ccccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000355745993 380767088 /nfs/dbraw/zinc/76/70/88/380767088.db2.gz GXWLGSJIMQUREU-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP C[NH+](CCSc1ccccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000355745993 380767094 /nfs/dbraw/zinc/76/70/94/380767094.db2.gz GXWLGSJIMQUREU-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP C[C@H]([NH2+]CCOCC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000419253271 380788332 /nfs/dbraw/zinc/78/83/32/380788332.db2.gz WNQFAIXLLHLJGK-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)C[C@H]21 ZINC000420316072 380847970 /nfs/dbraw/zinc/84/79/70/380847970.db2.gz XQDQERPZMYAZPP-PREXVCJDSA-N 2 1 290.838 3.387 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420311690 380848615 /nfs/dbraw/zinc/84/86/15/380848615.db2.gz RFFKYGGAJDPCGS-HOTGVXAUSA-N 2 1 276.811 3.013 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420311690 380848621 /nfs/dbraw/zinc/84/86/21/380848621.db2.gz RFFKYGGAJDPCGS-HOTGVXAUSA-N 2 1 276.811 3.013 20 0 CGADMP C[NH2+]CCC[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000420371641 380852622 /nfs/dbraw/zinc/85/26/22/380852622.db2.gz KRXKMHLVJHALSO-INIZCTEOSA-N 2 1 275.440 3.027 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000357010531 380985670 /nfs/dbraw/zinc/98/56/70/380985670.db2.gz SRYHKQXPLMVVRE-RBSFLKMASA-N 2 1 261.413 3.415 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cc2c1C ZINC000334781886 207067039 /nfs/dbraw/zinc/06/70/39/207067039.db2.gz SNTAPBXPDVDSTQ-SJCJKPOMSA-N 2 1 285.435 3.215 20 0 CGADMP CC[N@@H+]1C[C@H](N[C@@H]2CCOc3c(Cl)cccc32)[C@@H](C)C1 ZINC000358016588 381288059 /nfs/dbraw/zinc/28/80/59/381288059.db2.gz GKASUNMQJDYGDO-GLQYFDAESA-N 2 1 294.826 3.093 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)CC[N@@H+]1C ZINC000358025957 381289134 /nfs/dbraw/zinc/28/91/34/381289134.db2.gz SIQAJYWZKJFMAS-XPKDYRNWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)CC[N@H+]1C ZINC000358025957 381289140 /nfs/dbraw/zinc/28/91/40/381289140.db2.gz SIQAJYWZKJFMAS-XPKDYRNWSA-N 2 1 292.398 3.112 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Cl)cc1 ZINC000360044622 381423936 /nfs/dbraw/zinc/42/39/36/381423936.db2.gz GNRVTHPQYSPHCA-INIZCTEOSA-N 2 1 298.858 3.349 20 0 CGADMP CC(C)CC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361315612 381689601 /nfs/dbraw/zinc/68/96/01/381689601.db2.gz LOYMVFBWVZSXHL-BQFCYCMXSA-N 2 1 296.499 3.026 20 0 CGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361460153 381754412 /nfs/dbraw/zinc/75/44/12/381754412.db2.gz RYFRAGGEYMPOIN-JZXOWHBKSA-N 2 1 290.451 3.054 20 0 CGADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361460153 381754418 /nfs/dbraw/zinc/75/44/18/381754418.db2.gz RYFRAGGEYMPOIN-JZXOWHBKSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224202488 542289291 /nfs/dbraw/zinc/28/92/91/542289291.db2.gz XRQDPKPKQNRQTP-KGLIPLIRSA-N 2 1 254.377 3.181 20 0 CGADMP Fc1ccc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)[nH]c2c1 ZINC000362928159 382152882 /nfs/dbraw/zinc/15/28/82/382152882.db2.gz PJWWKJZAFZFQSF-UHFFFAOYSA-N 2 1 287.382 3.023 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C)cc1 ZINC000368001679 382363178 /nfs/dbraw/zinc/36/31/78/382363178.db2.gz ZJAGQQOAQQDPSU-GJZGRUSLSA-N 2 1 269.392 3.316 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251780497 542347139 /nfs/dbraw/zinc/34/71/39/542347139.db2.gz NBCBGYAIQACJBZ-SMDDNHRTSA-N 2 1 286.341 3.265 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251780497 542347146 /nfs/dbraw/zinc/34/71/46/542347146.db2.gz NBCBGYAIQACJBZ-SMDDNHRTSA-N 2 1 286.341 3.265 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000251854483 542348651 /nfs/dbraw/zinc/34/86/51/542348651.db2.gz SDGLHKBUJIHJHU-DOTOQJQBSA-N 2 1 260.425 3.369 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc3nc(C)ccc3c2)CC[C@H]1[NH3+] ZINC000252943537 542351909 /nfs/dbraw/zinc/35/19/09/542351909.db2.gz CXEXDYYURLASDV-DOTOQJQBSA-N 2 1 283.419 3.102 20 0 CGADMP CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435394426 285017202 /nfs/dbraw/zinc/01/72/02/285017202.db2.gz NGWJSTGEWZYUGZ-NVXWUHKLSA-N 2 1 290.451 3.263 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000273016824 542368544 /nfs/dbraw/zinc/36/85/44/542368544.db2.gz BYYRQJPPEYEADQ-XIRDDKMYSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000273016824 542368547 /nfs/dbraw/zinc/36/85/47/542368547.db2.gz BYYRQJPPEYEADQ-XIRDDKMYSA-N 2 1 288.435 3.281 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753505 220304907 /nfs/dbraw/zinc/30/49/07/220304907.db2.gz XCJHFXYIUYFOGX-GXTWGEPZSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753505 220304910 /nfs/dbraw/zinc/30/49/10/220304910.db2.gz XCJHFXYIUYFOGX-GXTWGEPZSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753505 220304912 /nfs/dbraw/zinc/30/49/12/220304912.db2.gz XCJHFXYIUYFOGX-GXTWGEPZSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753505 220304915 /nfs/dbraw/zinc/30/49/15/220304915.db2.gz XCJHFXYIUYFOGX-GXTWGEPZSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccsc2)C[C@H]1C ZINC000353753509 220306503 /nfs/dbraw/zinc/30/65/03/220306503.db2.gz XCJHFXYIUYFOGX-OCCSQVGLSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2)C[C@H]1C ZINC000353753509 220306506 /nfs/dbraw/zinc/30/65/06/220306506.db2.gz XCJHFXYIUYFOGX-OCCSQVGLSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2)C[C@H]1C ZINC000353753509 220306507 /nfs/dbraw/zinc/30/65/07/220306507.db2.gz XCJHFXYIUYFOGX-OCCSQVGLSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2)C[C@H]1C ZINC000353753509 220306511 /nfs/dbraw/zinc/30/65/11/220306511.db2.gz XCJHFXYIUYFOGX-OCCSQVGLSA-N 2 1 252.427 3.053 20 0 CGADMP CC[C@H](c1cccc(OC)c1)[N@H+](C)CCn1cc[nH+]c1C ZINC000289355365 197308935 /nfs/dbraw/zinc/30/89/35/197308935.db2.gz GRZRZFNHKFKZAR-QGZVFWFLSA-N 2 1 287.407 3.283 20 0 CGADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000289355365 197308936 /nfs/dbraw/zinc/30/89/36/197308936.db2.gz GRZRZFNHKFKZAR-QGZVFWFLSA-N 2 1 287.407 3.283 20 0 CGADMP CCc1cc(NCc2ccc(CC[NH+](C)C)cc2)nc(C)[nH+]1 ZINC000276305064 542375209 /nfs/dbraw/zinc/37/52/09/542375209.db2.gz MEEZKYJHGCBQGW-UHFFFAOYSA-N 2 1 298.434 3.064 20 0 CGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CC1 ZINC000350510713 219031247 /nfs/dbraw/zinc/03/12/47/219031247.db2.gz IOFYWDSWYFXVAQ-QZTJIDSGSA-N 2 1 272.436 3.069 20 0 CGADMP CCC1(CC)CCC([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000353856361 220370090 /nfs/dbraw/zinc/37/00/90/220370090.db2.gz IJSQERHCIJKCSY-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)ccc1SC ZINC000423259517 533130763 /nfs/dbraw/zinc/13/07/63/533130763.db2.gz FDSMVQODODXCDN-GXTWGEPZSA-N 2 1 296.480 3.441 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1C[C@H]1C ZINC000322226393 542440397 /nfs/dbraw/zinc/44/03/97/542440397.db2.gz YNWKSWILCYGYIA-DPZMZDEHSA-N 2 1 250.430 3.026 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1C[C@H]1C ZINC000322226393 542440401 /nfs/dbraw/zinc/44/04/01/542440401.db2.gz YNWKSWILCYGYIA-DPZMZDEHSA-N 2 1 250.430 3.026 20 0 CGADMP CC[NH+](CC1CC1)[C@@H](C)CC[N@H+](CC)CC1CC1 ZINC000343748342 542501381 /nfs/dbraw/zinc/50/13/81/542501381.db2.gz WPOBDNQCYQUULI-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC[C@H](C)[N@H+](CC)CC1CC1)CC1CC1 ZINC000343748342 542501384 /nfs/dbraw/zinc/50/13/84/542501384.db2.gz WPOBDNQCYQUULI-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC[C@H](C)[N@@H+](CC)CC1CC1)CC1CC1 ZINC000343748342 542501387 /nfs/dbraw/zinc/50/13/87/542501387.db2.gz WPOBDNQCYQUULI-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000499547896 285396322 /nfs/dbraw/zinc/39/63/22/285396322.db2.gz KLOUJLFAJIUZOL-JYJNAYRXSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000499547896 285396324 /nfs/dbraw/zinc/39/63/24/285396324.db2.gz KLOUJLFAJIUZOL-JYJNAYRXSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000499547896 285396325 /nfs/dbraw/zinc/39/63/25/285396325.db2.gz KLOUJLFAJIUZOL-JYJNAYRXSA-N 2 1 254.462 3.331 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1C[C@H]1C ZINC000414061020 533377921 /nfs/dbraw/zinc/37/79/21/533377921.db2.gz BERMLHJCAZAFQB-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Cl)sc1Cl ZINC000423297311 533408952 /nfs/dbraw/zinc/40/89/52/533408952.db2.gz JSORKYUUBJPNOZ-NKWVEPMBSA-N 2 1 267.225 3.300 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310694 533412749 /nfs/dbraw/zinc/41/27/49/533412749.db2.gz ASNGIFULXVMGSM-NOZJJQNGSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000420370598 533420369 /nfs/dbraw/zinc/42/03/69/533420369.db2.gz JRMVUFIBAOUCSF-RKDXNWHRSA-N 2 1 291.197 3.393 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423330312 533424887 /nfs/dbraw/zinc/42/48/87/533424887.db2.gz FTBDDBPTEYMLNC-PBHICJAKSA-N 2 1 290.455 3.039 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2c(s1)CCCC2 ZINC000423284220 533510017 /nfs/dbraw/zinc/51/00/17/533510017.db2.gz WRISGUGUJYINHL-MFKMUULPSA-N 2 1 264.438 3.015 20 0 CGADMP Cc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000449025508 533594451 /nfs/dbraw/zinc/59/44/51/533594451.db2.gz GWIVZZBYNZPDLU-UHFFFAOYSA-N 2 1 289.448 3.245 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423273247 533536971 /nfs/dbraw/zinc/53/69/71/533536971.db2.gz IWIVNMYQTSBIAC-NOZJJQNGSA-N 2 1 272.314 3.093 20 0 CGADMP CSCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367617712 533548322 /nfs/dbraw/zinc/54/83/22/533548322.db2.gz RDFYHKACJDCMIC-BZUAXINKSA-N 2 1 284.513 3.372 20 0 CGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369721090 533555221 /nfs/dbraw/zinc/55/52/21/533555221.db2.gz LMQXLQIDAXZACT-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000371734678 542590293 /nfs/dbraw/zinc/59/02/93/542590293.db2.gz GVXMSNDSTMNJPR-UAGQMJEPSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415093668 542641865 /nfs/dbraw/zinc/64/18/65/542641865.db2.gz COHRZFAPUWZKLC-MOPGFXCFSA-N 2 1 295.430 3.015 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000054243948 392091258 /nfs/dbraw/zinc/09/12/58/392091258.db2.gz YNCHFLSNYRLWMY-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CC1CCC(C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000093089390 392234110 /nfs/dbraw/zinc/23/41/10/392234110.db2.gz SFAGYNRBOPQPCL-UHFFFAOYSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358799 392182679 /nfs/dbraw/zinc/18/26/79/392182679.db2.gz KEPMZGIOWOKLKM-FUHWJXTLSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000071116907 392188589 /nfs/dbraw/zinc/18/85/89/392188589.db2.gz VDKFNOUQLWBCBU-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCC(C)(C)CC1 ZINC000094859505 392242859 /nfs/dbraw/zinc/24/28/59/392242859.db2.gz VYWJEQNCCAPBLF-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCC[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000092797668 392232557 /nfs/dbraw/zinc/23/25/57/392232557.db2.gz XGUYGCYPRBEGMD-ARFHVFGLSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000092797668 392232560 /nfs/dbraw/zinc/23/25/60/392232560.db2.gz XGUYGCYPRBEGMD-ARFHVFGLSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000092797668 392232563 /nfs/dbraw/zinc/23/25/63/392232563.db2.gz XGUYGCYPRBEGMD-ARFHVFGLSA-N 2 1 252.446 3.086 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000361766502 392318605 /nfs/dbraw/zinc/31/86/05/392318605.db2.gz SZQZXNWUDLMIPU-NHIYQJMISA-N 2 1 296.480 3.144 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000361766502 392318608 /nfs/dbraw/zinc/31/86/08/392318608.db2.gz SZQZXNWUDLMIPU-NHIYQJMISA-N 2 1 296.480 3.144 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000361877621 392350525 /nfs/dbraw/zinc/35/05/25/392350525.db2.gz QKLFMIAALWHUAX-KXBFYZLASA-N 2 1 295.430 3.178 20 0 CGADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000361795648 392323626 /nfs/dbraw/zinc/32/36/26/392323626.db2.gz DZCGIUZMFNDPKO-CYBMUJFWSA-N 2 1 283.375 3.368 20 0 CGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000361795649 392323958 /nfs/dbraw/zinc/32/39/58/392323958.db2.gz DZCGIUZMFNDPKO-ZDUSSCGKSA-N 2 1 283.375 3.368 20 0 CGADMP CCCC[C@H](CC)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000437783696 542660787 /nfs/dbraw/zinc/66/07/87/542660787.db2.gz IURHBTXWSULCEJ-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP c1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250811111 131127874 /nfs/dbraw/zinc/12/78/74/131127874.db2.gz LHLRPZVXQHIYDB-FPQWYMTMSA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc([C@@H](CC2CCC2)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423233520 285486748 /nfs/dbraw/zinc/48/67/48/285486748.db2.gz KAJKNBIPJHNMFS-IAGOWNOFSA-N 2 1 258.409 3.260 20 0 CGADMP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000263650720 131301722 /nfs/dbraw/zinc/30/17/22/131301722.db2.gz BOHGITJBNABQBA-UHFFFAOYSA-N 2 1 294.414 3.139 20 0 CGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000263650720 131301723 /nfs/dbraw/zinc/30/17/23/131301723.db2.gz BOHGITJBNABQBA-UHFFFAOYSA-N 2 1 294.414 3.139 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC000362923037 392423589 /nfs/dbraw/zinc/42/35/89/392423589.db2.gz HXFKIDAILUGVOG-MRXNPFEDSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000126541289 392442933 /nfs/dbraw/zinc/44/29/33/392442933.db2.gz GUCGDTRULUMNKI-KBXCAEBGSA-N 2 1 270.420 3.056 20 0 CGADMP CC[C@H](c1ccncc1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000162551588 392597111 /nfs/dbraw/zinc/59/71/11/392597111.db2.gz WYIIOVOBUSOENC-QGZVFWFLSA-N 2 1 286.423 3.450 20 0 CGADMP CC[C@H](c1ccncc1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000162551588 392597113 /nfs/dbraw/zinc/59/71/13/392597113.db2.gz WYIIOVOBUSOENC-QGZVFWFLSA-N 2 1 286.423 3.450 20 0 CGADMP Cc1cc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000302595337 392617921 /nfs/dbraw/zinc/61/79/21/392617921.db2.gz XEZFMXFFYZFHDC-KRWDZBQOSA-N 2 1 295.430 3.491 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000163429687 392604413 /nfs/dbraw/zinc/60/44/13/392604413.db2.gz OPGPYGYVXJABJN-AAEUAGOBSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000163429687 392604417 /nfs/dbraw/zinc/60/44/17/392604417.db2.gz OPGPYGYVXJABJN-AAEUAGOBSA-N 2 1 286.341 3.122 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000163266750 392605058 /nfs/dbraw/zinc/60/50/58/392605058.db2.gz COBMJNANGQVFGR-DOTOQJQBSA-N 2 1 288.435 3.140 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000178090794 392671679 /nfs/dbraw/zinc/67/16/79/392671679.db2.gz ZEPDHZDRQMHRQR-MQIPJXDCSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000178090794 392671681 /nfs/dbraw/zinc/67/16/81/392671681.db2.gz ZEPDHZDRQMHRQR-MQIPJXDCSA-N 2 1 278.827 3.400 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000178959826 392685976 /nfs/dbraw/zinc/68/59/76/392685976.db2.gz AJAFSJVBZXTZJQ-UWWQBHOKSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000178959826 392685982 /nfs/dbraw/zinc/68/59/82/392685982.db2.gz AJAFSJVBZXTZJQ-UWWQBHOKSA-N 2 1 272.436 3.445 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccncc1 ZINC000647295509 392648795 /nfs/dbraw/zinc/64/87/95/392648795.db2.gz MYEPTYSFIBHMHG-QGZVFWFLSA-N 2 1 273.424 3.020 20 0 CGADMP Cc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1Cl ZINC000647482460 392737012 /nfs/dbraw/zinc/73/70/12/392737012.db2.gz HGKCLYZACDGVPU-UHFFFAOYSA-N 2 1 278.827 3.365 20 0 CGADMP CC[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000647497693 392740649 /nfs/dbraw/zinc/74/06/49/392740649.db2.gz RMULHSVXEWEWGE-BLLLJJGKSA-N 2 1 298.833 3.471 20 0 CGADMP CC[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000647497693 392740652 /nfs/dbraw/zinc/74/06/52/392740652.db2.gz RMULHSVXEWEWGE-BLLLJJGKSA-N 2 1 298.833 3.471 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000647498980 392741990 /nfs/dbraw/zinc/74/19/90/392741990.db2.gz WHCGYCGEOVACEM-AEFFLSMTSA-N 2 1 295.430 3.308 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1[NH3+] ZINC000647498681 392742517 /nfs/dbraw/zinc/74/25/17/392742517.db2.gz MZORTZYENWBJQF-IUODEOHRSA-N 2 1 274.433 3.461 20 0 CGADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000647513172 392744172 /nfs/dbraw/zinc/74/41/72/392744172.db2.gz HNNWFODMAIILCF-SFHVURJKSA-N 2 1 274.452 3.416 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]C1 ZINC000647514208 392746197 /nfs/dbraw/zinc/74/61/97/392746197.db2.gz PLZZSQFIQJPJTD-LPHOPBHVSA-N 2 1 297.446 3.347 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000375244454 392752783 /nfs/dbraw/zinc/75/27/83/392752783.db2.gz GPHQLMVHDXEJDN-MSOLQXFVSA-N 2 1 294.483 3.001 20 0 CGADMP CCCCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647531520 392754423 /nfs/dbraw/zinc/75/44/23/392754423.db2.gz BCXBANOIMANCLL-UHFFFAOYSA-N 2 1 276.424 3.179 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492603 542708070 /nfs/dbraw/zinc/70/80/70/542708070.db2.gz PKHYUTCUMUQEEA-FUHWJXTLSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492603 542708073 /nfs/dbraw/zinc/70/80/73/542708073.db2.gz PKHYUTCUMUQEEA-FUHWJXTLSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492603 542708075 /nfs/dbraw/zinc/70/80/75/542708075.db2.gz PKHYUTCUMUQEEA-FUHWJXTLSA-N 2 1 294.483 3.142 20 0 CGADMP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000647539095 392758746 /nfs/dbraw/zinc/75/87/46/392758746.db2.gz WKANVDAHTWQOCQ-INIZCTEOSA-N 2 1 296.817 3.097 20 0 CGADMP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000647539095 392758750 /nfs/dbraw/zinc/75/87/50/392758750.db2.gz WKANVDAHTWQOCQ-INIZCTEOSA-N 2 1 296.817 3.097 20 0 CGADMP Clc1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543027 392760274 /nfs/dbraw/zinc/76/02/74/392760274.db2.gz GTXLZDVZUYMSJR-RYUDHWBXSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543027 392760287 /nfs/dbraw/zinc/76/02/87/392760287.db2.gz GTXLZDVZUYMSJR-RYUDHWBXSA-N 2 1 299.871 3.008 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544287 392760426 /nfs/dbraw/zinc/76/04/26/392760426.db2.gz YZKHPEOVSFQHHN-AEFFLSMTSA-N 2 1 272.436 3.207 20 0 CGADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647552670 392765475 /nfs/dbraw/zinc/76/54/75/392765475.db2.gz QJJBGHCDXGCFPC-ARFHVFGLSA-N 2 1 264.457 3.134 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2C2CCC2)CC[NH2+]1 ZINC000647553183 392765670 /nfs/dbraw/zinc/76/56/70/392765670.db2.gz GTLBWJZHQSSFLV-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1scnc1C1CC1 ZINC000486977726 542709622 /nfs/dbraw/zinc/70/96/22/542709622.db2.gz XMWSMUBTOXLPBF-CYBMUJFWSA-N 2 1 293.480 3.375 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1scnc1C1CC1 ZINC000486977726 542709627 /nfs/dbraw/zinc/70/96/27/542709627.db2.gz XMWSMUBTOXLPBF-CYBMUJFWSA-N 2 1 293.480 3.375 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)C1CCCCC1 ZINC000510739741 392813108 /nfs/dbraw/zinc/81/31/08/392813108.db2.gz YFTPEVJVALAILH-DLBZAZTESA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)C1CCCCC1 ZINC000510739741 392813111 /nfs/dbraw/zinc/81/31/11/392813111.db2.gz YFTPEVJVALAILH-DLBZAZTESA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647873390 392818299 /nfs/dbraw/zinc/81/82/99/392818299.db2.gz DDBAFKBYZWUPHV-INIZCTEOSA-N 2 1 272.436 3.384 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000647888120 392827475 /nfs/dbraw/zinc/82/74/75/392827475.db2.gz NJJKHEAWADOOBQ-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)C1CCC(F)(F)CC1 ZINC000336002956 392827812 /nfs/dbraw/zinc/82/78/12/392827812.db2.gz KIRBQRNVUTXXEP-CMPLNLGQSA-N 2 1 283.366 3.071 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000516117452 392863038 /nfs/dbraw/zinc/86/30/38/392863038.db2.gz GAQWFUZNNCUFTD-BSDSXHPESA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000516117452 392863041 /nfs/dbraw/zinc/86/30/41/392863041.db2.gz GAQWFUZNNCUFTD-BSDSXHPESA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000516117452 392863045 /nfs/dbraw/zinc/86/30/45/392863045.db2.gz GAQWFUZNNCUFTD-BSDSXHPESA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000516117452 392863048 /nfs/dbraw/zinc/86/30/48/392863048.db2.gz GAQWFUZNNCUFTD-BSDSXHPESA-N 2 1 276.468 3.395 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C12CCCC2 ZINC000519619203 392875459 /nfs/dbraw/zinc/87/54/59/392875459.db2.gz XZMOOAGGWHQPOR-PMPSAXMXSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000519619203 392875467 /nfs/dbraw/zinc/87/54/67/392875467.db2.gz XZMOOAGGWHQPOR-PMPSAXMXSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392184853 392929209 /nfs/dbraw/zinc/92/92/09/392929209.db2.gz CMQCNCLTRRAUJR-IAGOWNOFSA-N 2 1 264.457 3.443 20 0 CGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOC(C)(C)C)C2)CC1 ZINC000194953547 392947534 /nfs/dbraw/zinc/94/75/34/392947534.db2.gz FHNXKYODLHTISS-KRWDZBQOSA-N 2 1 296.499 3.245 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459793861 392955790 /nfs/dbraw/zinc/95/57/90/392955790.db2.gz UAXPOORRLIRIQF-GVDBMIGSSA-N 2 1 264.457 3.300 20 0 CGADMP Cc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000195445581 392967234 /nfs/dbraw/zinc/96/72/34/392967234.db2.gz KXRNTCHPDHSLOQ-GXTWGEPZSA-N 2 1 278.827 3.363 20 0 CGADMP Cc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000195445593 392968591 /nfs/dbraw/zinc/96/85/91/392968591.db2.gz KXRNTCHPDHSLOQ-TZMCWYRMSA-N 2 1 278.827 3.363 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340253312 392968616 /nfs/dbraw/zinc/96/86/16/392968616.db2.gz FFOFMMCGIPNZIZ-UONOGXRCSA-N 2 1 286.341 3.364 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340253312 392968618 /nfs/dbraw/zinc/96/86/18/392968618.db2.gz FFOFMMCGIPNZIZ-UONOGXRCSA-N 2 1 286.341 3.364 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2sccc21 ZINC000221921956 393007781 /nfs/dbraw/zinc/00/77/81/393007781.db2.gz VBIUDDTVGKLVCX-AWEZNQCLSA-N 2 1 266.454 3.445 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2sccc21 ZINC000221921956 393007785 /nfs/dbraw/zinc/00/77/85/393007785.db2.gz VBIUDDTVGKLVCX-AWEZNQCLSA-N 2 1 266.454 3.445 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227918291 393017158 /nfs/dbraw/zinc/01/71/58/393017158.db2.gz FHYQYYRKOJBCRE-UAGQMJEPSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227918291 393017163 /nfs/dbraw/zinc/01/71/63/393017163.db2.gz FHYQYYRKOJBCRE-UAGQMJEPSA-N 2 1 258.409 3.272 20 0 CGADMP CCCC[C@H](CC)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000546932239 393082010 /nfs/dbraw/zinc/08/20/10/393082010.db2.gz TYULPGUGNBPWRX-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000546932239 393082016 /nfs/dbraw/zinc/08/20/16/393082016.db2.gz TYULPGUGNBPWRX-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000546932239 393082019 /nfs/dbraw/zinc/08/20/19/393082019.db2.gz TYULPGUGNBPWRX-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000415006620 393091568 /nfs/dbraw/zinc/09/15/68/393091568.db2.gz KSHCLGWFJVOAPZ-QWRGUYRKSA-N 2 1 278.396 3.380 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC000415009970 393093533 /nfs/dbraw/zinc/09/35/33/393093533.db2.gz XXJJUOYFPFUWNA-FRRDWIJNSA-N 2 1 274.399 3.036 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000415011546 393095061 /nfs/dbraw/zinc/09/50/61/393095061.db2.gz QRYBHKIATBRODP-NEPJUHHUSA-N 2 1 260.406 3.240 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(F)c(-c2cccs2)c1)[C@H](C)[NH3+] ZINC000415012617 393095534 /nfs/dbraw/zinc/09/55/34/393095534.db2.gz SVNBYGIIYYKDPR-WDEREUQCSA-N 2 1 278.396 3.380 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000245547649 393042504 /nfs/dbraw/zinc/04/25/04/393042504.db2.gz XRUAFYADRIKAJC-UGUYLWEFSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000245547649 393042509 /nfs/dbraw/zinc/04/25/09/393042509.db2.gz XRUAFYADRIKAJC-UGUYLWEFSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000245547649 393042510 /nfs/dbraw/zinc/04/25/10/393042510.db2.gz XRUAFYADRIKAJC-UGUYLWEFSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000245547649 393042517 /nfs/dbraw/zinc/04/25/17/393042517.db2.gz XRUAFYADRIKAJC-UGUYLWEFSA-N 2 1 252.446 3.227 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414196902 393043655 /nfs/dbraw/zinc/04/36/55/393043655.db2.gz VNXGQKWJKZHBAI-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414812719 393054414 /nfs/dbraw/zinc/05/44/14/393054414.db2.gz LJJGUQCXAFYEQO-SDDRHHMPSA-N 2 1 266.351 3.215 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000414775955 393054761 /nfs/dbraw/zinc/05/47/61/393054761.db2.gz WHWWLILXAHWVOE-NEPXVJNWSA-N 2 1 284.447 3.038 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414963480 393069193 /nfs/dbraw/zinc/06/91/93/393069193.db2.gz TYQUGVRMUJGZOY-NWDGAFQWSA-N 2 1 288.357 3.224 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000648510802 393072566 /nfs/dbraw/zinc/07/25/66/393072566.db2.gz XVJWBXKNEHZYFY-BVIKNXMNSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1cccc(Cl)c1 ZINC000415047207 393110468 /nfs/dbraw/zinc/11/04/68/393110468.db2.gz VSKROOXREKMSIN-FZMZJTMJSA-N 2 1 266.816 3.174 20 0 CGADMP Clc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052236 393114226 /nfs/dbraw/zinc/11/42/26/393114226.db2.gz MVUWBNHXNMKNPJ-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052236 393114230 /nfs/dbraw/zinc/11/42/30/393114230.db2.gz MVUWBNHXNMKNPJ-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000415054028 393114422 /nfs/dbraw/zinc/11/44/22/393114422.db2.gz LCYLVFMOLGOIOH-QGZVFWFLSA-N 2 1 283.419 3.212 20 0 CGADMP COc1ccc2cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc2c1 ZINC000415051929 393114822 /nfs/dbraw/zinc/11/48/22/393114822.db2.gz JZSUSKBPNHYFBU-QGZVFWFLSA-N 2 1 286.419 3.311 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415067385 393125685 /nfs/dbraw/zinc/12/56/85/393125685.db2.gz OZYNSJFKUVZCCZ-LRDDRELGSA-N 2 1 280.843 3.378 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415069771 393128296 /nfs/dbraw/zinc/12/82/96/393128296.db2.gz UAQZWCBVJYJMBG-CRAIPNDOSA-N 2 1 274.452 3.423 20 0 CGADMP C[C@@]1(Cc2ccccc2)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261965519 393142710 /nfs/dbraw/zinc/14/27/10/393142710.db2.gz PVGKQEDQIIGKER-SFHVURJKSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000262136209 393144849 /nfs/dbraw/zinc/14/48/49/393144849.db2.gz YSQFDDWYMZCFCQ-HOCLYGCPSA-N 2 1 278.465 3.122 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000262136209 393144852 /nfs/dbraw/zinc/14/48/52/393144852.db2.gz YSQFDDWYMZCFCQ-HOCLYGCPSA-N 2 1 278.465 3.122 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000415108454 393147172 /nfs/dbraw/zinc/14/71/72/393147172.db2.gz KTMKKKLSUQFCSN-MSOLQXFVSA-N 2 1 272.436 3.254 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415125531 393153339 /nfs/dbraw/zinc/15/33/39/393153339.db2.gz LLAQFCHRJBWKDS-RDJZCZTQSA-N 2 1 290.451 3.282 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000355205874 393257674 /nfs/dbraw/zinc/25/76/74/393257674.db2.gz KTCUSYZOLFTIDE-YDZRNGNQSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000355205874 393257681 /nfs/dbraw/zinc/25/76/81/393257681.db2.gz KTCUSYZOLFTIDE-YDZRNGNQSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000355205874 393257693 /nfs/dbraw/zinc/25/76/93/393257693.db2.gz KTCUSYZOLFTIDE-YDZRNGNQSA-N 2 1 284.447 3.206 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277305591 393308747 /nfs/dbraw/zinc/30/87/47/393308747.db2.gz UJLFENLQMCEMHN-NVXWUHKLSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272997813 393268077 /nfs/dbraw/zinc/26/80/77/393268077.db2.gz QXBGUECPZAYLNI-QWHCGFSZSA-N 2 1 299.422 3.023 20 0 CGADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272997813 393268082 /nfs/dbraw/zinc/26/80/82/393268082.db2.gz QXBGUECPZAYLNI-QWHCGFSZSA-N 2 1 299.422 3.023 20 0 CGADMP C[C@H](c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1)C(F)(F)F ZINC000649253126 393387219 /nfs/dbraw/zinc/38/72/19/393387219.db2.gz PHGYOAZHSVVWIH-DFBGVHRSSA-N 2 1 298.352 3.004 20 0 CGADMP CCc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC000649287341 393392495 /nfs/dbraw/zinc/39/24/95/393392495.db2.gz SPVPZPPMZBVBFZ-LJQANCHMSA-N 2 1 295.430 3.355 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647216365 393393377 /nfs/dbraw/zinc/39/33/77/393393377.db2.gz FZXNIHZAEAIQJE-UHFFFAOYSA-N 2 1 260.372 3.028 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647216365 393393383 /nfs/dbraw/zinc/39/33/83/393393383.db2.gz FZXNIHZAEAIQJE-UHFFFAOYSA-N 2 1 260.372 3.028 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000356268278 393401571 /nfs/dbraw/zinc/40/15/71/393401571.db2.gz YHMUPPUEJBERIF-INIZCTEOSA-N 2 1 277.456 3.033 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000356268278 393401574 /nfs/dbraw/zinc/40/15/74/393401574.db2.gz YHMUPPUEJBERIF-INIZCTEOSA-N 2 1 277.456 3.033 20 0 CGADMP CC(C)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472585249 393336555 /nfs/dbraw/zinc/33/65/55/393336555.db2.gz XDSLCKCLHBCQAR-MRXNPFEDSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccncc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000279985940 393337195 /nfs/dbraw/zinc/33/71/95/393337195.db2.gz QUOOGSPXKZSQKF-IYBDPMFKSA-N 2 1 289.467 3.238 20 0 CGADMP Fc1ccccc1C1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000647237289 393404346 /nfs/dbraw/zinc/40/43/46/393404346.db2.gz PDHMASDQXAOSIF-GJZGRUSLSA-N 2 1 288.410 3.421 20 0 CGADMP Fc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000647237289 393404350 /nfs/dbraw/zinc/40/43/50/393404350.db2.gz PDHMASDQXAOSIF-GJZGRUSLSA-N 2 1 288.410 3.421 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000474810909 393350496 /nfs/dbraw/zinc/35/04/96/393350496.db2.gz PUJQLRQVFXSHQE-OKZBNKHCSA-N 2 1 294.483 3.046 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000474810909 393350500 /nfs/dbraw/zinc/35/05/00/393350500.db2.gz PUJQLRQVFXSHQE-OKZBNKHCSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420388804 393479866 /nfs/dbraw/zinc/47/98/66/393479866.db2.gz WZEXAPUOIATSMU-SJORKVTESA-N 2 1 276.399 3.352 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420381891 393480789 /nfs/dbraw/zinc/48/07/89/393480789.db2.gz CVKMWDLVKFVSSR-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000482248410 393438886 /nfs/dbraw/zinc/43/88/86/393438886.db2.gz UFUYFRNCWWZREA-CZUORRHYSA-N 2 1 292.854 3.301 20 0 CGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000420295014 393451702 /nfs/dbraw/zinc/45/17/02/393451702.db2.gz BTUAUXZEDJPADF-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@@]1(c2ccccc2)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420296069 393453396 /nfs/dbraw/zinc/45/33/96/393453396.db2.gz CZGXMRQRNRWGJW-SJLPKXTDSA-N 2 1 272.436 3.040 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301503 393455117 /nfs/dbraw/zinc/45/51/17/393455117.db2.gz LHYKBUUNLOXILP-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2ccccc2)cc1 ZINC000420299581 393455422 /nfs/dbraw/zinc/45/54/22/393455422.db2.gz GWIONOPKWUCBEL-CRAIPNDOSA-N 2 1 298.430 3.431 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@H]2C(C)C)cc1 ZINC000420300754 393456001 /nfs/dbraw/zinc/45/60/01/393456001.db2.gz KLJKDGGGYHKLRN-AEFFLSMTSA-N 2 1 290.451 3.248 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420300058 393456272 /nfs/dbraw/zinc/45/62/72/393456272.db2.gz HALLWOCRRLHOBL-GXTWGEPZSA-N 2 1 264.438 3.057 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420305714 393457532 /nfs/dbraw/zinc/45/75/32/393457532.db2.gz QARPGFVFLLWMRB-MOPGFXCFSA-N 2 1 286.463 3.392 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420303557 393457828 /nfs/dbraw/zinc/45/78/28/393457828.db2.gz KRGPOPMBVWHDCL-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399345 393482826 /nfs/dbraw/zinc/48/28/26/393482826.db2.gz NXXBKCCLAXJBML-STQMWFEESA-N 2 1 278.362 3.183 20 0 CGADMP c1csc([C@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420310839 393459280 /nfs/dbraw/zinc/45/92/80/393459280.db2.gz GGIYZPORHYTZBW-ZIAGYGMSSA-N 2 1 279.453 3.060 20 0 CGADMP Clc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420315928 393461875 /nfs/dbraw/zinc/46/18/75/393461875.db2.gz LYEQSWQDKJEHNV-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP COCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000420318791 393463067 /nfs/dbraw/zinc/46/30/67/393463067.db2.gz OXCAFZJMRZDDAQ-IAGOWNOFSA-N 2 1 290.451 3.086 20 0 CGADMP CCC[N@@H+](Cc1cccc(CC)c1)C1CC[NH2+]CC1 ZINC000420319174 393464011 /nfs/dbraw/zinc/46/40/11/393464011.db2.gz OXAQJRREARYCPY-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420370019 393476205 /nfs/dbraw/zinc/47/62/05/393476205.db2.gz JINVRPQYVRJXCK-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c1 ZINC000420370020 393476451 /nfs/dbraw/zinc/47/64/51/393476451.db2.gz JINVRPQYVRJXCK-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCOc1cccc(Cl)c1 ZINC000420366489 393476877 /nfs/dbraw/zinc/47/68/77/393476877.db2.gz RFKXSRFFKSCQSL-AWEZNQCLSA-N 2 1 284.831 3.072 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC1(C)C ZINC000647249106 393411982 /nfs/dbraw/zinc/41/19/82/393411982.db2.gz BNCBFVHPTHUBCC-BGTYHANMSA-N 2 1 286.463 3.356 20 0 CGADMP CCC[C@@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249184 393412593 /nfs/dbraw/zinc/41/25/93/393412593.db2.gz HTFVTINBWBNCQW-NXHRZFHOSA-N 2 1 274.452 3.358 20 0 CGADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000356980352 393503653 /nfs/dbraw/zinc/50/36/53/393503653.db2.gz SQWVECWDNDYYIQ-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488443387 393516148 /nfs/dbraw/zinc/51/61/48/393516148.db2.gz GTGZEOULUYUYGJ-YUELXQCFSA-N 2 1 295.496 3.337 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488467078 393524421 /nfs/dbraw/zinc/52/44/21/393524421.db2.gz QOEMZVZBMHGMCB-VYDRJQSISA-N 2 1 286.463 3.389 20 0 CGADMP CCC[C@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900976 393538380 /nfs/dbraw/zinc/53/83/80/393538380.db2.gz KFQLVSGXONFCJB-INIZCTEOSA-N 2 1 290.451 3.139 20 0 CGADMP CCC[C@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900976 393538385 /nfs/dbraw/zinc/53/83/85/393538385.db2.gz KFQLVSGXONFCJB-INIZCTEOSA-N 2 1 290.451 3.139 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000623657528 542780618 /nfs/dbraw/zinc/78/06/18/542780618.db2.gz SVMKPQUIADQKIB-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCSc1ccccc1Cl ZINC000430562757 393576353 /nfs/dbraw/zinc/57/63/53/393576353.db2.gz GEBQDBWTQKLQRF-GFCCVEGCSA-N 2 1 284.856 3.245 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1CCCSc1ccccc1Cl ZINC000430562757 393576360 /nfs/dbraw/zinc/57/63/60/393576360.db2.gz GEBQDBWTQKLQRF-GFCCVEGCSA-N 2 1 284.856 3.245 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)s1 ZINC000360856012 393599077 /nfs/dbraw/zinc/59/90/77/393599077.db2.gz GATAZQMLWFTYGR-MNOVXSKESA-N 2 1 269.458 3.005 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C3CC3)c2)CCN1C ZINC000421320641 393604200 /nfs/dbraw/zinc/60/42/00/393604200.db2.gz QCLNFTQOXIOCME-KDOFPFPSSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C3CC3)c2)CC[NH+]1C ZINC000421320641 393604218 /nfs/dbraw/zinc/60/42/18/393604218.db2.gz QCLNFTQOXIOCME-KDOFPFPSSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C3CC3)c2)CC[NH+]1C ZINC000421320641 393604223 /nfs/dbraw/zinc/60/42/23/393604223.db2.gz QCLNFTQOXIOCME-KDOFPFPSSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000430574860 393579172 /nfs/dbraw/zinc/57/91/72/393579172.db2.gz UOSIVLUKCKOFIZ-MRXNPFEDSA-N 2 1 291.826 3.351 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424294389 393680156 /nfs/dbraw/zinc/68/01/56/393680156.db2.gz QCBBMQDDXRGTOA-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP CCC1(C)CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432438864 393613822 /nfs/dbraw/zinc/61/38/22/393613822.db2.gz DBRQPGJVMZKZQE-AOCRQIFASA-N 2 1 296.499 3.436 20 0 CGADMP CCC1(C)CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432438864 393613828 /nfs/dbraw/zinc/61/38/28/393613828.db2.gz DBRQPGJVMZKZQE-AOCRQIFASA-N 2 1 296.499 3.436 20 0 CGADMP C[N@@H+](CCc1ccc(F)c(F)c1)CC[C@@H]1CCCC[NH+]1C ZINC000489877509 393618748 /nfs/dbraw/zinc/61/87/48/393618748.db2.gz XPJUZXNKAWXPFZ-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP C[N@H+](CCc1ccc(F)c(F)c1)CC[C@@H]1CCCC[NH+]1C ZINC000489877509 393618751 /nfs/dbraw/zinc/61/87/51/393618751.db2.gz XPJUZXNKAWXPFZ-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](CCc1ccc(F)c(F)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000489877509 393618756 /nfs/dbraw/zinc/61/87/56/393618756.db2.gz XPJUZXNKAWXPFZ-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](CCc1ccc(F)c(F)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000489877509 393618761 /nfs/dbraw/zinc/61/87/61/393618761.db2.gz XPJUZXNKAWXPFZ-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423096591 393650342 /nfs/dbraw/zinc/65/03/42/393650342.db2.gz PNBBLDKNYWVOAB-DLKVLKDVSA-N 2 1 278.827 3.174 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1OC ZINC000423184429 393653677 /nfs/dbraw/zinc/65/36/77/393653677.db2.gz SZGNAQGKPFXDKD-OAHLLOKOSA-N 2 1 276.424 3.398 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CCCCC1 ZINC000423272164 393657863 /nfs/dbraw/zinc/65/78/63/393657863.db2.gz YUYWTULQVADLOU-IAGOWNOFSA-N 2 1 276.399 3.310 20 0 CGADMP C[C@]1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCC[NH2+]C1 ZINC000423326430 393662541 /nfs/dbraw/zinc/66/25/41/393662541.db2.gz KMZHUTPNAXKRAN-HOCLYGCPSA-N 2 1 294.439 3.342 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1F ZINC000423377892 393665617 /nfs/dbraw/zinc/66/56/17/393665617.db2.gz KQDXOHNAWRVKCN-PVXIVEMSSA-N 2 1 282.378 3.392 20 0 CGADMP COC[C@@]1(C[NH2+][C@@H](CC(C)C)c2cccs2)CCC[NH2+]1 ZINC000423430759 393666582 /nfs/dbraw/zinc/66/65/82/393666582.db2.gz QDEHWZIEFQAGMC-HOCLYGCPSA-N 2 1 296.480 3.194 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423451366 393667420 /nfs/dbraw/zinc/66/74/20/393667420.db2.gz UUMXMPMHIYLIDQ-BHDSKKPTSA-N 2 1 297.240 3.152 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(F)c1 ZINC000423494249 393671140 /nfs/dbraw/zinc/67/11/40/393671140.db2.gz AIYKFRSPSLEBEE-HOTGVXAUSA-N 2 1 264.388 3.384 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000423534726 393671344 /nfs/dbraw/zinc/67/13/44/393671344.db2.gz WPXGRPORCREGAM-KSSFIOAISA-N 2 1 298.434 3.040 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000445414666 393793432 /nfs/dbraw/zinc/79/34/32/393793432.db2.gz YYVRGRVYZFHSBA-GOEBONIOSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000445414666 393793435 /nfs/dbraw/zinc/79/34/35/393793435.db2.gz YYVRGRVYZFHSBA-GOEBONIOSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000445414666 393793440 /nfs/dbraw/zinc/79/34/40/393793440.db2.gz YYVRGRVYZFHSBA-GOEBONIOSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CCNc1cc[nH+]c2ccccc12 ZINC000500410095 393826984 /nfs/dbraw/zinc/82/69/84/393826984.db2.gz QYHOEELXYZWKJR-HNNXBMFYSA-N 2 1 283.419 3.333 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+]C2CC3(CCC3)C2)([NH+](C)C)C1 ZINC000448057134 393867715 /nfs/dbraw/zinc/86/77/15/393867715.db2.gz VQNIEVBJPNCIAA-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449433756 393881327 /nfs/dbraw/zinc/88/13/27/393881327.db2.gz NRUSUZSMFHCKFF-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000502717100 393883023 /nfs/dbraw/zinc/88/30/23/393883023.db2.gz WAZOWBHFRADEOZ-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666998234 542834728 /nfs/dbraw/zinc/83/47/28/542834728.db2.gz IWXUABVENCYIAY-GFCCVEGCSA-N 2 1 293.480 3.205 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000548488575 289008927 /nfs/dbraw/zinc/00/89/27/289008927.db2.gz PFBNASNQCXSQML-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ncc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)n1C ZINC000667470935 542871867 /nfs/dbraw/zinc/87/18/67/542871867.db2.gz QVKSVUQRSAPBAN-QGZVFWFLSA-N 2 1 284.407 3.241 20 0 CGADMP Cc1ncc(CN2CCCCC[C@@H]2c2ccncc2)n1C ZINC000667470935 542871870 /nfs/dbraw/zinc/87/18/70/542871870.db2.gz QVKSVUQRSAPBAN-QGZVFWFLSA-N 2 1 284.407 3.241 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000453068433 394160732 /nfs/dbraw/zinc/16/07/32/394160732.db2.gz AHGPSCWYNMANBN-WBVHZDCISA-N 2 1 275.440 3.387 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000453085676 394166145 /nfs/dbraw/zinc/16/61/45/394166145.db2.gz MSZKXSHXEWJXNF-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP CCOc1cccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453606142 394256917 /nfs/dbraw/zinc/25/69/17/394256917.db2.gz UUEOIJWUEHFWBT-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000453616069 394259916 /nfs/dbraw/zinc/25/99/16/394259916.db2.gz RKCVAHHRPVGFAM-JKSUJKDBSA-N 2 1 261.413 3.062 20 0 CGADMP CC(C)CO[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1(C)C ZINC000453410036 394237516 /nfs/dbraw/zinc/23/75/16/394237516.db2.gz UPIJSOWJYVIAON-IRXDYDNUSA-N 2 1 296.499 3.290 20 0 CGADMP CCC1(CC)[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1OC ZINC000453413983 394239568 /nfs/dbraw/zinc/23/95/68/394239568.db2.gz WXDKVNURPOGEBY-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP COCc1csc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000667494188 542877726 /nfs/dbraw/zinc/87/77/26/542877726.db2.gz QABBSAFJBAJBDA-UHFFFAOYSA-N 2 1 296.480 3.199 20 0 CGADMP COCc1csc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000667494188 542877729 /nfs/dbraw/zinc/87/77/29/542877729.db2.gz QABBSAFJBAJBDA-UHFFFAOYSA-N 2 1 296.480 3.199 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000453600236 394254074 /nfs/dbraw/zinc/25/40/74/394254074.db2.gz SATVRHANJCJQOJ-AEFFLSMTSA-N 2 1 272.436 3.254 20 0 CGADMP c1cn([C@@H]2CCC[N@H+](Cc3cc4ccncc4s3)C2)cn1 ZINC000667587511 542893713 /nfs/dbraw/zinc/89/37/13/542893713.db2.gz VGOMOYNWGLMBOD-CQSZACIVSA-N 2 1 298.415 3.330 20 0 CGADMP C[N@H+](Cc1cc2ccncc2s1)CC1CC[NH+](C)CC1 ZINC000667597332 542896240 /nfs/dbraw/zinc/89/62/40/542896240.db2.gz JUPBBESRXUDNCH-UHFFFAOYSA-N 2 1 289.448 3.070 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667853667 542937854 /nfs/dbraw/zinc/93/78/54/542937854.db2.gz KNPFSZLJDXKKPE-FGTMMUONSA-N 2 1 272.436 3.417 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336844996 292054897 /nfs/dbraw/zinc/05/48/97/292054897.db2.gz LLQWOAKHNVUYAV-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336844996 292054899 /nfs/dbraw/zinc/05/48/99/292054899.db2.gz LLQWOAKHNVUYAV-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336844996 292054900 /nfs/dbraw/zinc/05/49/00/292054900.db2.gz LLQWOAKHNVUYAV-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000550887440 289089091 /nfs/dbraw/zinc/08/90/91/289089091.db2.gz QFNUABHYNFTTBT-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H](c1ccncc1)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000671739680 543183807 /nfs/dbraw/zinc/18/38/07/543183807.db2.gz SAMINHUYZLWRJF-HNNXBMFYSA-N 2 1 287.407 3.190 20 0 CGADMP C[C@@H](c1ccncc1)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000671739680 543183810 /nfs/dbraw/zinc/18/38/10/543183810.db2.gz SAMINHUYZLWRJF-HNNXBMFYSA-N 2 1 287.407 3.190 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cocn2)CC1 ZINC000671757519 543186704 /nfs/dbraw/zinc/18/67/04/543186704.db2.gz XSWMJSOGWNSCIU-UHFFFAOYSA-N 2 1 299.418 3.207 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000037916142 397609802 /nfs/dbraw/zinc/60/98/02/397609802.db2.gz JTFXPRLYXLVHTH-ROUUACIJSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC2CCC1CC2 ZINC000394253557 397694780 /nfs/dbraw/zinc/69/47/80/397694780.db2.gz FNCPVAKWGPBVDC-FKWJBVKISA-N 2 1 276.468 3.416 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000650710117 397898033 /nfs/dbraw/zinc/89/80/33/397898033.db2.gz FAIWDABDNYYBCY-SJORKVTESA-N 3 1 295.515 3.009 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000650710115 397898413 /nfs/dbraw/zinc/89/84/13/397898413.db2.gz FAIWDABDNYYBCY-IAGOWNOFSA-N 3 1 295.515 3.009 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000650711860 397899288 /nfs/dbraw/zinc/89/92/88/397899288.db2.gz GQSQEHVVZVTZLG-SJLPKXTDSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)CC[NH2+]1 ZINC000650725203 397902571 /nfs/dbraw/zinc/90/25/71/397902571.db2.gz VMWBCHSTBVWFMD-ZNMIVQPWSA-N 2 1 290.426 3.175 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccccc2F)CCC1)c1c[nH+]ccc1N ZINC000650740297 397904437 /nfs/dbraw/zinc/90/44/37/397904437.db2.gz KIIWDAOLNVWKJR-CYBMUJFWSA-N 2 1 299.393 3.406 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC000674876199 543301726 /nfs/dbraw/zinc/30/17/26/543301726.db2.gz HXESBCVIWSJHLF-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000674876199 543301728 /nfs/dbraw/zinc/30/17/28/543301728.db2.gz HXESBCVIWSJHLF-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC000674876199 543301732 /nfs/dbraw/zinc/30/17/32/543301732.db2.gz HXESBCVIWSJHLF-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675938467 543375301 /nfs/dbraw/zinc/37/53/01/543375301.db2.gz NBZIYIRPVDJKLJ-YJBOKZPZSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000675938467 543375303 /nfs/dbraw/zinc/37/53/03/543375303.db2.gz NBZIYIRPVDJKLJ-YJBOKZPZSA-N 2 1 270.420 3.348 20 0 CGADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)sc2c1CCCC2 ZINC000677237478 543440597 /nfs/dbraw/zinc/44/05/97/543440597.db2.gz JDBIRXQUFDLQJL-HUUCEWRRSA-N 2 1 290.476 3.343 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000677818883 543468028 /nfs/dbraw/zinc/46/80/28/543468028.db2.gz KQNPZVBOBATWKX-IRXDYDNUSA-N 2 1 269.392 3.070 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000677818883 543468031 /nfs/dbraw/zinc/46/80/31/543468031.db2.gz KQNPZVBOBATWKX-IRXDYDNUSA-N 2 1 269.392 3.070 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000678222753 543495926 /nfs/dbraw/zinc/49/59/26/543495926.db2.gz UPHJOBMVGATKIT-HOTGVXAUSA-N 2 1 290.451 3.247 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340322 543515714 /nfs/dbraw/zinc/51/57/14/543515714.db2.gz SXYRXZPSDLSSAU-IEBWSBKVSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340322 543515717 /nfs/dbraw/zinc/51/57/17/543515717.db2.gz SXYRXZPSDLSSAU-IEBWSBKVSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340322 543515720 /nfs/dbraw/zinc/51/57/20/543515720.db2.gz SXYRXZPSDLSSAU-IEBWSBKVSA-N 2 1 284.447 3.480 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3nccc4ccccc43)CC[C@H]21 ZINC000678338422 543516089 /nfs/dbraw/zinc/51/60/89/543516089.db2.gz CNDNEMWNCRXXOR-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3nccc4ccccc43)CC[C@H]21 ZINC000678338422 543516090 /nfs/dbraw/zinc/51/60/90/543516090.db2.gz CNDNEMWNCRXXOR-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000375887245 286048921 /nfs/dbraw/zinc/04/89/21/286048921.db2.gz IMRLHMZTZDYPHN-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678412416 543521762 /nfs/dbraw/zinc/52/17/62/543521762.db2.gz WFBVYBDJQATIID-HNNXBMFYSA-N 2 1 275.440 3.223 20 0 CGADMP Clc1cccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678581115 543537248 /nfs/dbraw/zinc/53/72/48/543537248.db2.gz RWHMBTWVIYASFK-SJORKVTESA-N 2 1 292.854 3.489 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000554727497 289305837 /nfs/dbraw/zinc/30/58/37/289305837.db2.gz IGNSMXCIMLPDCK-YVSFHVDLSA-N 2 1 264.457 3.275 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C12CCCC2 ZINC000423260400 286289099 /nfs/dbraw/zinc/28/90/99/286289099.db2.gz HIYUITCFBJOSGJ-GVDBMIGSSA-N 2 1 294.483 3.221 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414842197 289453601 /nfs/dbraw/zinc/45/36/01/289453601.db2.gz NZVJAJHGROZGKZ-PWSUYJOCSA-N 2 1 266.351 3.215 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358468364 287050262 /nfs/dbraw/zinc/05/02/62/287050262.db2.gz NFUMJABGLCCTJY-QZWWFDLISA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)[C@H](C)[NH3+] ZINC000423432381 287050771 /nfs/dbraw/zinc/05/07/71/287050771.db2.gz BIJIBWPBZUSYOE-YIZRAAEISA-N 2 1 261.196 3.380 20 0 CGADMP C[N@H+](CCOc1ccccc1F)CC[C@@H]1CCCC[NH+]1C ZINC000075860378 165103045 /nfs/dbraw/zinc/10/30/45/165103045.db2.gz DYDYYAVXOBYSDW-HNNXBMFYSA-N 2 1 294.414 3.011 20 0 CGADMP C[N@@H+](CCOc1ccccc1F)CC[C@@H]1CCCC[NH+]1C ZINC000075860378 165103052 /nfs/dbraw/zinc/10/30/52/165103052.db2.gz DYDYYAVXOBYSDW-HNNXBMFYSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1ccccc1F)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860378 165103057 /nfs/dbraw/zinc/10/30/57/165103057.db2.gz DYDYYAVXOBYSDW-HNNXBMFYSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1ccccc1F)CC[C@@H]1CCCC[N@H+]1C ZINC000075860378 165103059 /nfs/dbraw/zinc/10/30/59/165103059.db2.gz DYDYYAVXOBYSDW-HNNXBMFYSA-N 2 1 294.414 3.011 20 0 CGADMP Cc1nc(C)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000080692925 165157292 /nfs/dbraw/zinc/15/72/92/165157292.db2.gz WLJYIUSGUDHMBO-LBPRGKRZSA-N 2 1 281.469 3.114 20 0 CGADMP Cc1nc(C)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000080692925 165157293 /nfs/dbraw/zinc/15/72/93/165157293.db2.gz WLJYIUSGUDHMBO-LBPRGKRZSA-N 2 1 281.469 3.114 20 0 CGADMP CC(C)CSCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090882016 165247692 /nfs/dbraw/zinc/24/76/92/165247692.db2.gz SJDHJVRMWOWRFK-KFWWJZLASA-N 2 1 272.502 3.084 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000092566408 165301709 /nfs/dbraw/zinc/30/17/09/165301709.db2.gz NYAFLZKXRFBMIK-HOCLYGCPSA-N 2 1 263.429 3.388 20 0 CGADMP Cn1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016652 165322384 /nfs/dbraw/zinc/32/23/84/165322384.db2.gz GHYBGPMIINWURA-KRWDZBQOSA-N 2 1 289.467 3.113 20 0 CGADMP Cn1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016652 165322389 /nfs/dbraw/zinc/32/23/89/165322389.db2.gz GHYBGPMIINWURA-KRWDZBQOSA-N 2 1 289.467 3.113 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000093683849 165334687 /nfs/dbraw/zinc/33/46/87/165334687.db2.gz FPUYDWMDYKEYHV-AWEZNQCLSA-N 2 1 264.438 3.056 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000093683849 165334688 /nfs/dbraw/zinc/33/46/88/165334688.db2.gz FPUYDWMDYKEYHV-AWEZNQCLSA-N 2 1 264.438 3.056 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000093941620 165343231 /nfs/dbraw/zinc/34/32/31/165343231.db2.gz IZJTUVKDGMDNSP-MRXNPFEDSA-N 2 1 289.467 3.279 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000094901472 165395933 /nfs/dbraw/zinc/39/59/33/165395933.db2.gz YTINSCANEUXVIS-YOEHRIQHSA-N 2 1 260.425 3.054 20 0 CGADMP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563821 287117531 /nfs/dbraw/zinc/11/75/31/287117531.db2.gz WJSUTZCOOYCKSW-KRWDZBQOSA-N 2 1 298.434 3.013 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C)[C@H](C)C1 ZINC000093639230 287118206 /nfs/dbraw/zinc/11/82/06/287118206.db2.gz MGJJMJBZMQNJTD-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C)[C@H](C)C1 ZINC000093639230 287118208 /nfs/dbraw/zinc/11/82/08/287118208.db2.gz MGJJMJBZMQNJTD-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)[C@H](C)C1 ZINC000093639230 287118211 /nfs/dbraw/zinc/11/82/11/287118211.db2.gz MGJJMJBZMQNJTD-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000093844454 287119516 /nfs/dbraw/zinc/11/95/16/287119516.db2.gz VJHWAKQVEJXXMD-IYBDPMFKSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546324 165815151 /nfs/dbraw/zinc/81/51/51/165815151.db2.gz KUNIWWLPRZXIDT-CABCVRRESA-N 2 1 284.403 3.091 20 0 CGADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000118968814 287162628 /nfs/dbraw/zinc/16/26/28/287162628.db2.gz KXDAKPSCZJKUFW-IAGOWNOFSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000120729241 287185994 /nfs/dbraw/zinc/18/59/94/287185994.db2.gz VUQMPXVDEGKMMR-RRIFGTCXSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCCC1 ZINC000125538071 287246520 /nfs/dbraw/zinc/24/65/20/287246520.db2.gz OIPHTDQJHDJKFQ-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000125644353 287248297 /nfs/dbraw/zinc/24/82/97/287248297.db2.gz BDJFYISGASVHNJ-JKSUJKDBSA-N 2 1 292.471 3.237 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000020128757 171016676 /nfs/dbraw/zinc/01/66/76/171016676.db2.gz WSWPUVDMOCMMRS-HNNXBMFYSA-N 2 1 276.424 3.222 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125817270 287251105 /nfs/dbraw/zinc/25/11/05/287251105.db2.gz XHYCSGZCXJHHLN-HOTGVXAUSA-N 2 1 290.451 3.466 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125817270 287251107 /nfs/dbraw/zinc/25/11/07/287251107.db2.gz XHYCSGZCXJHHLN-HOTGVXAUSA-N 2 1 290.451 3.466 20 0 CGADMP CC1CCC([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000021043415 171293903 /nfs/dbraw/zinc/29/39/03/171293903.db2.gz SNRFSZKEVWJZSM-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc(C)cc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000035163339 172024216 /nfs/dbraw/zinc/02/42/16/172024216.db2.gz GWYKINGFGMGJKV-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP Cc1ccc(CCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285406596 196274514 /nfs/dbraw/zinc/27/45/14/196274514.db2.gz FOQOBMHYIFOBKP-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285406596 196274515 /nfs/dbraw/zinc/27/45/15/196274515.db2.gz FOQOBMHYIFOBKP-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285406596 196274517 /nfs/dbraw/zinc/27/45/17/196274517.db2.gz FOQOBMHYIFOBKP-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2[nH]1 ZINC000285677726 196363590 /nfs/dbraw/zinc/36/35/90/196363590.db2.gz NKWJGXMOXQQRMR-SJORKVTESA-N 2 1 283.419 3.193 20 0 CGADMP CC(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408279 173184293 /nfs/dbraw/zinc/18/42/93/173184293.db2.gz DOAYAWIMSPMZJE-MRXNPFEDSA-N 2 1 272.436 3.384 20 0 CGADMP CC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515574 173246715 /nfs/dbraw/zinc/24/67/15/173246715.db2.gz ZSBUUNAZIOHSHN-HNNXBMFYSA-N 2 1 260.425 3.082 20 0 CGADMP CCC[N@@H+](Cc1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC000037539032 173259361 /nfs/dbraw/zinc/25/93/61/173259361.db2.gz RSZRXLWEPBFDIV-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000127369461 287286526 /nfs/dbraw/zinc/28/65/26/287286526.db2.gz YGSFMRAOVGEHLJ-INIZCTEOSA-N 2 1 285.435 3.453 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000127369461 287286529 /nfs/dbraw/zinc/28/65/29/287286529.db2.gz YGSFMRAOVGEHLJ-INIZCTEOSA-N 2 1 285.435 3.453 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000050952497 416477819 /nfs/dbraw/zinc/47/78/19/416477819.db2.gz ALRHORSZBHNQRA-UHFFFAOYSA-N 2 1 260.425 3.207 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C(C)(C)C ZINC000305965200 416527231 /nfs/dbraw/zinc/52/72/31/416527231.db2.gz CEDIQAOUZIXBCR-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000314444618 416537702 /nfs/dbraw/zinc/53/77/02/416537702.db2.gz AVRYYHHMRUBUOT-CQSZACIVSA-N 2 1 271.408 3.266 20 0 CGADMP c1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)ccnc2c1 ZINC000316274330 416539519 /nfs/dbraw/zinc/53/95/19/416539519.db2.gz JCCPNZCDRXOQRH-WMZOPIPTSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)[C@H]1CC[NH3+] ZINC000404297981 416551870 /nfs/dbraw/zinc/55/18/70/416551870.db2.gz YBKBYMUQMSSUFV-OCCSQVGLSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)[C@H]1CC[NH3+] ZINC000404297981 416551876 /nfs/dbraw/zinc/55/18/76/416551876.db2.gz YBKBYMUQMSSUFV-OCCSQVGLSA-N 2 1 289.448 3.246 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404422803 416553360 /nfs/dbraw/zinc/55/33/60/416553360.db2.gz JPGMTKLBZKQTQM-DGCLKSJQSA-N 2 1 252.427 3.006 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC000404753511 416557660 /nfs/dbraw/zinc/55/76/60/416557660.db2.gz YQCDMTDYCALBIF-XHSDSOJGSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000130026918 287343579 /nfs/dbraw/zinc/34/35/79/287343579.db2.gz QQRHGIHDKDTNNC-GOEBONIOSA-N 2 1 260.425 3.037 20 0 CGADMP c1cc(C[N@@H+]2CC=CCC2)ccc1C[NH+]1CC=CCC1 ZINC000679324050 543619062 /nfs/dbraw/zinc/61/90/62/543619062.db2.gz MTUYKGMSUARXCA-UHFFFAOYSA-N 2 1 268.404 3.210 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000680326743 543697222 /nfs/dbraw/zinc/69/72/22/543697222.db2.gz ICYSZGFRPXWXQG-IXDOHACOSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]([NH2+]C1CC=CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681391694 543785512 /nfs/dbraw/zinc/78/55/12/543785512.db2.gz JQUFLFCBOOXAOE-RDJZCZTQSA-N 2 1 270.420 3.205 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC000130623403 287359762 /nfs/dbraw/zinc/35/97/62/287359762.db2.gz SZFMTAVZVWTXHV-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCCCCC2)CC[N@H+]1C ZINC000130623403 287359763 /nfs/dbraw/zinc/35/97/63/287359763.db2.gz SZFMTAVZVWTXHV-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000130623403 287359765 /nfs/dbraw/zinc/35/97/65/287359765.db2.gz SZFMTAVZVWTXHV-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000130623403 287359769 /nfs/dbraw/zinc/35/97/69/287359769.db2.gz SZFMTAVZVWTXHV-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCC1CCCC1 ZINC000130864488 287365241 /nfs/dbraw/zinc/36/52/41/287365241.db2.gz ZPAUEFNDDQLEEK-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCC1CCCC1 ZINC000130864488 287365244 /nfs/dbraw/zinc/36/52/44/287365244.db2.gz ZPAUEFNDDQLEEK-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000132131040 287397832 /nfs/dbraw/zinc/39/78/32/287397832.db2.gz OQBXMRCROYVWPR-SNVBAGLBSA-N 2 1 288.357 3.342 20 0 CGADMP C[N@H+](Cc1ccc2cnccc2c1)CC1CC[NH+](C)CC1 ZINC000683829445 543945294 /nfs/dbraw/zinc/94/52/94/543945294.db2.gz USCYJTJXWTZJER-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)F)cc1 ZINC000685470075 544076721 /nfs/dbraw/zinc/07/67/21/544076721.db2.gz OWJXFOUXACAFFC-WFASDCNBSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)F)cc1 ZINC000685470075 544076725 /nfs/dbraw/zinc/07/67/25/544076725.db2.gz OWJXFOUXACAFFC-WFASDCNBSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000685470075 544076727 /nfs/dbraw/zinc/07/67/27/544076727.db2.gz OWJXFOUXACAFFC-WFASDCNBSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000685470075 544076730 /nfs/dbraw/zinc/07/67/30/544076730.db2.gz OWJXFOUXACAFFC-WFASDCNBSA-N 2 1 282.378 3.396 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684954451 544043268 /nfs/dbraw/zinc/04/32/68/544043268.db2.gz SSTMPWAUUSUWDQ-QGZVFWFLSA-N 2 1 287.451 3.169 20 0 CGADMP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000352797267 227234083 /nfs/dbraw/zinc/23/40/83/227234083.db2.gz VZNUZAUKFCCOQR-DDGIKZQJSA-N 2 1 292.373 3.052 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000652217905 418937589 /nfs/dbraw/zinc/93/75/89/418937589.db2.gz NSMZOJGDVSXYND-JKSUJKDBSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000652217905 418937590 /nfs/dbraw/zinc/93/75/90/418937590.db2.gz NSMZOJGDVSXYND-JKSUJKDBSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccnc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000664403486 418953401 /nfs/dbraw/zinc/95/34/01/418953401.db2.gz ODTRHHYMLULSIH-CQSZACIVSA-N 2 1 259.397 3.209 20 0 CGADMP c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000652343659 418955696 /nfs/dbraw/zinc/95/56/96/418955696.db2.gz CAPNYGAFPXGXIC-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000659929475 419035455 /nfs/dbraw/zinc/03/54/55/419035455.db2.gz ZLQYDAXXDMUHTO-GJZGRUSLSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000659929124 419036067 /nfs/dbraw/zinc/03/60/67/419036067.db2.gz XAOPOIFSDSHJEY-ZIFCJYIRSA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)=CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659956635 419046091 /nfs/dbraw/zinc/04/60/91/419046091.db2.gz LIIHMWFISAOKNP-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CCCC1 ZINC000665248074 419089920 /nfs/dbraw/zinc/08/99/20/419089920.db2.gz OHXOYPXASPPEEA-AWEZNQCLSA-N 2 1 294.826 3.415 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+]CC3([NH3+])CCCC3)oc21 ZINC000665248095 419091024 /nfs/dbraw/zinc/09/10/24/419091024.db2.gz OUICJSOYORRKKZ-GFCCVEGCSA-N 2 1 288.391 3.364 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)c(C)s1 ZINC000665249133 419091852 /nfs/dbraw/zinc/09/18/52/419091852.db2.gz KAERHQULXVENAG-NSHDSACASA-N 2 1 252.427 3.287 20 0 CGADMP C[C@H]1CCCC[C@@H]1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000660167217 419093255 /nfs/dbraw/zinc/09/32/55/419093255.db2.gz MRKHYKUUVNRAOK-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000660167217 419093257 /nfs/dbraw/zinc/09/32/57/419093257.db2.gz MRKHYKUUVNRAOK-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000660167217 419093261 /nfs/dbraw/zinc/09/32/61/419093261.db2.gz MRKHYKUUVNRAOK-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000665252568 419094324 /nfs/dbraw/zinc/09/43/24/419094324.db2.gz SVOMOGHQEFQIID-HVOFVXBASA-N 2 1 294.389 3.189 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665275490 419099715 /nfs/dbraw/zinc/09/97/15/419099715.db2.gz LWNSWVISWWJPAH-QLFBSQMISA-N 2 1 294.389 3.065 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000665297394 419111283 /nfs/dbraw/zinc/11/12/83/419111283.db2.gz FETCFITYKIOEPQ-ZRUFSTJUSA-N 2 1 272.845 3.091 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000659977399 419050810 /nfs/dbraw/zinc/05/08/10/419050810.db2.gz XRJVCFCJWOENSC-ZIAGYGMSSA-N 2 1 276.415 3.332 20 0 CGADMP C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC1CCCCC1 ZINC000655689059 419065900 /nfs/dbraw/zinc/06/59/00/419065900.db2.gz URFQSGXKFWLFIO-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CS1 ZINC000655695352 419067112 /nfs/dbraw/zinc/06/71/12/419067112.db2.gz KFVCPQNQACNFPW-DOTOQJQBSA-N 2 1 292.492 3.382 20 0 CGADMP CSc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000660117164 419080122 /nfs/dbraw/zinc/08/01/22/419080122.db2.gz MXFFLRSLDOOOQH-UHFFFAOYSA-N 2 1 289.448 3.436 20 0 CGADMP CSc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000660117164 419080127 /nfs/dbraw/zinc/08/01/27/419080127.db2.gz MXFFLRSLDOOOQH-UHFFFAOYSA-N 2 1 289.448 3.436 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660658546 419177352 /nfs/dbraw/zinc/17/73/52/419177352.db2.gz GSDPOLMMFNZXME-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660658546 419177355 /nfs/dbraw/zinc/17/73/55/419177355.db2.gz GSDPOLMMFNZXME-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660658546 419177356 /nfs/dbraw/zinc/17/73/56/419177356.db2.gz GSDPOLMMFNZXME-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCc1ccccc1)C2 ZINC000660663672 419178985 /nfs/dbraw/zinc/17/89/85/419178985.db2.gz OVRSTQGGAJNSMN-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCc1ccccc1)C2 ZINC000660663672 419178987 /nfs/dbraw/zinc/17/89/87/419178987.db2.gz OVRSTQGGAJNSMN-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCc1ccccc1)C2 ZINC000660663672 419178990 /nfs/dbraw/zinc/17/89/90/419178990.db2.gz OVRSTQGGAJNSMN-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662431 419180049 /nfs/dbraw/zinc/18/00/49/419180049.db2.gz KDKMVVDCDSZGLG-ZFWWWQNUSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662431 419180051 /nfs/dbraw/zinc/18/00/51/419180051.db2.gz KDKMVVDCDSZGLG-ZFWWWQNUSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662431 419180054 /nfs/dbraw/zinc/18/00/54/419180054.db2.gz KDKMVVDCDSZGLG-ZFWWWQNUSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)CC(F)F ZINC000660763926 419192718 /nfs/dbraw/zinc/19/27/18/419192718.db2.gz XTLVFVZZKRJYSP-LBPRGKRZSA-N 2 1 262.388 3.132 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000666172118 419193990 /nfs/dbraw/zinc/19/39/90/419193990.db2.gz CLUIRPDDBKVXEU-ZBFHGGJFSA-N 2 1 275.440 3.081 20 0 CGADMP CCCn1nccc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000657311551 419247283 /nfs/dbraw/zinc/24/72/83/419247283.db2.gz NMIIEFCTGMUPAR-INIZCTEOSA-N 2 1 292.471 3.037 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)cc21 ZINC000657334556 419252414 /nfs/dbraw/zinc/25/24/14/419252414.db2.gz CWWUVKNTAOFRIU-HNNXBMFYSA-N 2 1 285.435 3.296 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C2CCC2)CC1 ZINC000661374868 419254403 /nfs/dbraw/zinc/25/44/03/419254403.db2.gz PTZLTNSPRDZITA-UHFFFAOYSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783340 419218379 /nfs/dbraw/zinc/21/83/79/419218379.db2.gz PMOPUIZTFQNTAP-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP Fc1cc(F)cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785538 419219134 /nfs/dbraw/zinc/21/91/34/419219134.db2.gz LQNVMWDPNYDSEM-HNNXBMFYSA-N 2 1 294.389 3.176 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657427829 419275941 /nfs/dbraw/zinc/27/59/41/419275941.db2.gz UTTHQLGJYIQFTD-UHFFFAOYSA-N 2 1 262.441 3.197 20 0 CGADMP CCC1(CC)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000661674029 419284945 /nfs/dbraw/zinc/28/49/45/419284945.db2.gz YGYGYBJDMQWWPN-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CCC1(CC)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000661674029 419284948 /nfs/dbraw/zinc/28/49/48/419284948.db2.gz YGYGYBJDMQWWPN-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CCC1(CC)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000661674029 419284950 /nfs/dbraw/zinc/28/49/50/419284950.db2.gz YGYGYBJDMQWWPN-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCC[NH+]1C ZINC000662132259 419340860 /nfs/dbraw/zinc/34/08/60/419340860.db2.gz ATJFBCNMAZZAGE-PNRVRQOCSA-N 2 1 250.430 3.124 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCCC[N@@H+]1C ZINC000662132259 419340863 /nfs/dbraw/zinc/34/08/63/419340863.db2.gz ATJFBCNMAZZAGE-PNRVRQOCSA-N 2 1 250.430 3.124 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCCC[N@H+]1C ZINC000662132259 419340867 /nfs/dbraw/zinc/34/08/67/419340867.db2.gz ATJFBCNMAZZAGE-PNRVRQOCSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CCC1CC1 ZINC000480678535 228153319 /nfs/dbraw/zinc/15/33/19/228153319.db2.gz UGAHKQWSCRCVFI-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000657797285 419359750 /nfs/dbraw/zinc/35/97/50/419359750.db2.gz KMJPVXIDYOSSCC-KRWDZBQOSA-N 2 1 258.409 3.056 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662322767 419392285 /nfs/dbraw/zinc/39/22/85/419392285.db2.gz XMUGCKUJUXPBRX-FUHWJXTLSA-N 2 1 290.451 3.099 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662332473 419393229 /nfs/dbraw/zinc/39/32/29/419393229.db2.gz WEABHIABSKQDCT-UHFFFAOYSA-N 2 1 272.436 3.339 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662242514 419370600 /nfs/dbraw/zinc/37/06/00/419370600.db2.gz AMQJNEAXGOQMKL-AHCXZYCDSA-N 2 1 272.436 3.239 20 0 CGADMP CC[N@@H+](CCC(F)(F)F)Cc1cccc2c1CC[NH2+]C2 ZINC000662255139 419373951 /nfs/dbraw/zinc/37/39/51/419373951.db2.gz AJGXTSRFDOCVNX-UHFFFAOYSA-N 2 1 286.341 3.107 20 0 CGADMP COC1([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657825021 419374416 /nfs/dbraw/zinc/37/44/16/419374416.db2.gz UPGIDCKNJIYKJO-MRXNPFEDSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCSc1cccc(Cl)c1 ZINC000662266366 419375603 /nfs/dbraw/zinc/37/56/03/419375603.db2.gz WUGFHYFHYCYQJY-NEPJUHHUSA-N 2 1 284.856 3.101 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657831486 419377720 /nfs/dbraw/zinc/37/77/20/419377720.db2.gz ZKBWEYPRIMJDQA-ZDUSSCGKSA-N 2 1 275.396 3.209 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657831486 419377722 /nfs/dbraw/zinc/37/77/22/419377722.db2.gz ZKBWEYPRIMJDQA-ZDUSSCGKSA-N 2 1 275.396 3.209 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267682 419378599 /nfs/dbraw/zinc/37/85/99/419378599.db2.gz XNCUKVGTKSKRGK-JOCBIADPSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267680 419379259 /nfs/dbraw/zinc/37/92/59/419379259.db2.gz XNCUKVGTKSKRGK-BURFUSLBSA-N 2 1 272.436 3.239 20 0 CGADMP Fc1ccc2c(c1)CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662278124 419382394 /nfs/dbraw/zinc/38/23/94/419382394.db2.gz WLQFEJWDAMWQOT-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[NH+]3CCC4(CC[NH2+]4)CC3)C2)cc1 ZINC000662283391 419384542 /nfs/dbraw/zinc/38/45/42/419384542.db2.gz NJUYOPBCTYZIKD-SJLPKXTDSA-N 2 1 284.447 3.398 20 0 CGADMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1Cl ZINC000662282337 419384882 /nfs/dbraw/zinc/38/48/82/419384882.db2.gz GIHVSIRQVHEFET-SCRDCRAPSA-N 2 1 296.842 3.154 20 0 CGADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1Cl ZINC000662282337 419384884 /nfs/dbraw/zinc/38/48/84/419384884.db2.gz GIHVSIRQVHEFET-SCRDCRAPSA-N 2 1 296.842 3.154 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(C)cc1 ZINC000662306070 419387405 /nfs/dbraw/zinc/38/74/05/419387405.db2.gz WTYGIJGWXCLKII-MRXNPFEDSA-N 2 1 260.425 3.207 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000657999656 419485522 /nfs/dbraw/zinc/48/55/22/419485522.db2.gz XPKASRHJGVHPPT-MSOLQXFVSA-N 2 1 284.447 3.431 20 0 CGADMP C[C@@H]1C[C@H](C)N(c2cc[nH+]c3ccsc32)C[C@@H]1C[NH3+] ZINC000663240234 419526186 /nfs/dbraw/zinc/52/61/86/419526186.db2.gz AEXKKDPLYRPDDX-WOPDTQHZSA-N 2 1 275.421 3.106 20 0 CGADMP CCC(CC)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347496 419567688 /nfs/dbraw/zinc/56/76/88/419567688.db2.gz MDZVBZRPAVXEEQ-INIZCTEOSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000663477572 419634002 /nfs/dbraw/zinc/63/40/02/419634002.db2.gz GTVOKLNQCQUHIG-AVGNSLFASA-N 2 1 292.389 3.427 20 0 CGADMP FC1(F)CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343773 419570586 /nfs/dbraw/zinc/57/05/86/419570586.db2.gz FCHAXWTUKWLULB-AWEZNQCLSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464586 419615191 /nfs/dbraw/zinc/61/51/91/419615191.db2.gz DTUMHDLRUBVINW-PBHICJAKSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)C ZINC000663468919 419621712 /nfs/dbraw/zinc/62/17/12/419621712.db2.gz NIKTVCPPCOKZNO-CVEARBPZSA-N 2 1 252.446 3.133 20 0 CGADMP C([NH2+][C@H]1CCCC12CC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467272 419622945 /nfs/dbraw/zinc/62/29/45/419622945.db2.gz ZTZGPFYXUGZXRT-CVEARBPZSA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000663741733 419699210 /nfs/dbraw/zinc/69/92/10/419699210.db2.gz OOXQBSPDVJNHFQ-CYBMUJFWSA-N 2 1 272.396 3.095 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)CC[N@@H+]1C ZINC000658264318 419719218 /nfs/dbraw/zinc/71/92/18/419719218.db2.gz FMORGFJYWIDQGN-AHPWVWPOSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)CC[N@H+]1C ZINC000658264318 419719225 /nfs/dbraw/zinc/71/92/25/419719225.db2.gz FMORGFJYWIDQGN-AHPWVWPOSA-N 2 1 272.383 3.027 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191102578 287587287 /nfs/dbraw/zinc/58/72/87/287587287.db2.gz JEQLAJKLXWIKAZ-AWEZNQCLSA-N 2 1 294.487 3.329 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc(C)c1O ZINC000020306485 262219334 /nfs/dbraw/zinc/21/93/34/262219334.db2.gz VEZPKYWJHKCLDP-INIZCTEOSA-N 2 1 290.451 3.363 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000221720789 262292506 /nfs/dbraw/zinc/29/25/06/262292506.db2.gz IUHGICLPCOYWAR-ZQIUZPCESA-N 2 1 260.425 3.382 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000221720789 262292508 /nfs/dbraw/zinc/29/25/08/262292508.db2.gz IUHGICLPCOYWAR-ZQIUZPCESA-N 2 1 260.425 3.382 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000184345771 263003353 /nfs/dbraw/zinc/00/33/53/263003353.db2.gz IKANZJNXOPFPKV-HZPDHXFCSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000184345771 263003354 /nfs/dbraw/zinc/00/33/54/263003354.db2.gz IKANZJNXOPFPKV-HZPDHXFCSA-N 2 1 275.440 3.161 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000037318607 270029078 /nfs/dbraw/zinc/02/90/78/270029078.db2.gz DAMIWDJNXCYKSK-ZDUSSCGKSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000044534582 270036332 /nfs/dbraw/zinc/03/63/32/270036332.db2.gz CWXJTLXAWJUXOI-BBRMVZONSA-N 2 1 264.388 3.208 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000045690598 270038800 /nfs/dbraw/zinc/03/88/00/270038800.db2.gz RVWHNZBBURIAPZ-JKSUJKDBSA-N 2 1 262.441 3.328 20 0 CGADMP CCC1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000105838397 270048067 /nfs/dbraw/zinc/04/80/67/270048067.db2.gz FTXBVXGHFATJPR-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868384 270049282 /nfs/dbraw/zinc/04/92/82/270049282.db2.gz GAKVQOZJSWSXDK-HUUCEWRRSA-N 2 1 270.376 3.149 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868384 270049284 /nfs/dbraw/zinc/04/92/84/270049284.db2.gz GAKVQOZJSWSXDK-HUUCEWRRSA-N 2 1 270.376 3.149 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187055899 270067637 /nfs/dbraw/zinc/06/76/37/270067637.db2.gz SSMJXHHSLDWILK-QXSJWSMHSA-N 2 1 298.540 3.474 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187055899 270067638 /nfs/dbraw/zinc/06/76/38/270067638.db2.gz SSMJXHHSLDWILK-QXSJWSMHSA-N 2 1 298.540 3.474 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192798239 270077906 /nfs/dbraw/zinc/07/79/06/270077906.db2.gz JDXFHHYSQVIFEC-SFHVURJKSA-N 2 1 295.515 3.057 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000223095345 270086277 /nfs/dbraw/zinc/08/62/77/270086277.db2.gz CSZDACNCHCBHDM-MLGOLLRUSA-N 2 1 280.843 3.127 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000223095345 270086278 /nfs/dbraw/zinc/08/62/78/270086278.db2.gz CSZDACNCHCBHDM-MLGOLLRUSA-N 2 1 280.843 3.127 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000229574256 270088632 /nfs/dbraw/zinc/08/86/32/270088632.db2.gz ZIDDJGGWISOWQV-HUUCEWRRSA-N 2 1 278.415 3.077 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)C2CC2)C1 ZINC000236940746 270089997 /nfs/dbraw/zinc/08/99/97/270089997.db2.gz FDQMDGUZCWSCKE-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)C2CC2)C1 ZINC000236940746 270089998 /nfs/dbraw/zinc/08/99/98/270089998.db2.gz FDQMDGUZCWSCKE-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322612878 270093823 /nfs/dbraw/zinc/09/38/23/270093823.db2.gz PEKZJDYVXJUVHE-WZLLPPPOSA-N 2 1 262.441 3.194 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC12CCCC2 ZINC000328313307 270095323 /nfs/dbraw/zinc/09/53/23/270095323.db2.gz XIKFJUFXUHKGAV-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000521423087 270101799 /nfs/dbraw/zinc/10/17/99/270101799.db2.gz FRBMJYHXMSUUTB-AWEZNQCLSA-N 2 1 256.340 3.005 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000525977517 270121610 /nfs/dbraw/zinc/12/16/10/270121610.db2.gz PFQROWIMLGVNBB-HUUCEWRRSA-N 2 1 268.420 3.075 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CC2(F)CC2)c1 ZINC000526983800 270124021 /nfs/dbraw/zinc/12/40/21/270124021.db2.gz VCLGMYVHIIBJOF-UHFFFAOYSA-N 2 1 264.388 3.119 20 0 CGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccncc2Cl)c1 ZINC000527634390 270130288 /nfs/dbraw/zinc/13/02/88/270130288.db2.gz NMFSUXBFZUCWLN-UHFFFAOYSA-N 2 1 289.810 3.086 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527652634 270130942 /nfs/dbraw/zinc/13/09/42/270130942.db2.gz GJPHTRDGVRIOKY-OHFALNGGSA-N 2 1 264.457 3.131 20 0 CGADMP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCC2)nc1 ZINC000527771569 270135362 /nfs/dbraw/zinc/13/53/62/270135362.db2.gz KDMMTXOWVJKROV-XYJFISCASA-N 2 1 285.435 3.139 20 0 CGADMP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)nc1 ZINC000527771569 270135363 /nfs/dbraw/zinc/13/53/63/270135363.db2.gz KDMMTXOWVJKROV-XYJFISCASA-N 2 1 285.435 3.139 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC12CC2 ZINC000527844390 270139294 /nfs/dbraw/zinc/13/92/94/270139294.db2.gz BMTDSQGOLJJOGM-QKPAOTATSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1ccncc1[C@H](C)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528014262 270151429 /nfs/dbraw/zinc/15/14/29/270151429.db2.gz UIQQFGZBNIJDRD-HOCLYGCPSA-N 2 1 273.424 3.058 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)[C@@H](C)C2 ZINC000530216181 270195872 /nfs/dbraw/zinc/19/58/72/270195872.db2.gz NPHBVVDFZXWYBG-IAOVAPTHSA-N 2 1 270.420 3.103 20 0 CGADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000530224635 270196550 /nfs/dbraw/zinc/19/65/50/270196550.db2.gz SBKHVXPLLOBRJU-RDGKXADDSA-N 2 1 284.394 3.028 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530245323 270197386 /nfs/dbraw/zinc/19/73/86/270197386.db2.gz WDCHQHGJRIZEAZ-HOCLYGCPSA-N 2 1 258.409 3.054 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000530460261 270200036 /nfs/dbraw/zinc/20/00/36/270200036.db2.gz DLQXABVROQVXQF-NSHDSACASA-N 2 1 293.411 3.174 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C[C@@H]1C ZINC000530460277 270200164 /nfs/dbraw/zinc/20/01/64/270200164.db2.gz GOWRWHKJKDAVGG-LZWOXQAQSA-N 2 1 263.429 3.013 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000531681385 270208604 /nfs/dbraw/zinc/20/86/04/270208604.db2.gz JSKGBKHJWOUEAE-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CC1 ZINC000531692602 270209030 /nfs/dbraw/zinc/20/90/30/270209030.db2.gz JRRYUHDCXOSMFY-OAHLLOKOSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CCC2 ZINC000221922038 274132142 /nfs/dbraw/zinc/13/21/42/274132142.db2.gz CYZZGXKPTHRYJA-SFHVURJKSA-N 2 1 290.451 3.393 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000423380853 274216931 /nfs/dbraw/zinc/21/69/31/274216931.db2.gz YWFOCIZYENOPLO-HZMBPMFUSA-N 2 1 252.789 3.044 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000424336291 274256712 /nfs/dbraw/zinc/25/67/12/274256712.db2.gz PYMUQQGGLOSFMW-LERXQTSPSA-N 2 1 297.240 3.370 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCc2cc(Br)ccc21)[C@H](C)[NH3+] ZINC000423463138 274262204 /nfs/dbraw/zinc/26/22/04/274262204.db2.gz LCWWBRMOUHBCMZ-RBZYPMLTSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000336537718 274353598 /nfs/dbraw/zinc/35/35/98/274353598.db2.gz AHHBLZIJZGYREH-ABAIWWIYSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000336537718 274353600 /nfs/dbraw/zinc/35/36/00/274353600.db2.gz AHHBLZIJZGYREH-ABAIWWIYSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000247181969 274394700 /nfs/dbraw/zinc/39/47/00/274394700.db2.gz ZEPDHZDRQMHRQR-WQGACYEGSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000247181969 274394701 /nfs/dbraw/zinc/39/47/01/274394701.db2.gz ZEPDHZDRQMHRQR-WQGACYEGSA-N 2 1 278.827 3.400 20 0 CGADMP c1ccc(CC[C@@H](Cc2ccccc2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414867142 275066729 /nfs/dbraw/zinc/06/67/29/275066729.db2.gz GFHOQOKHQPFMBL-VQTJNVASSA-N 2 1 294.442 3.182 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262398149 275069009 /nfs/dbraw/zinc/06/90/09/275069009.db2.gz CBEQWANIPUGVLW-HUUCEWRRSA-N 2 1 290.410 3.298 20 0 CGADMP c1ccc2c(c1)CCC([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000334542999 275069281 /nfs/dbraw/zinc/06/92/81/275069281.db2.gz CEURLDKKKBFJRX-UHFFFAOYSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000336394560 275070130 /nfs/dbraw/zinc/07/01/30/275070130.db2.gz AHFWBVBAHXTYQO-LEOMRAHMSA-N 2 1 270.420 3.280 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000245544894 276014010 /nfs/dbraw/zinc/01/40/10/276014010.db2.gz SUPPOKJAQMTIAX-HRCADAONSA-N 2 1 252.446 3.134 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+]1CCCC1 ZINC000189060913 287864835 /nfs/dbraw/zinc/86/48/35/287864835.db2.gz UHIHXCXTQQSQEV-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472618 276073072 /nfs/dbraw/zinc/07/30/72/276073072.db2.gz MASYWHFPDQUCPB-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472618 276073073 /nfs/dbraw/zinc/07/30/73/276073073.db2.gz MASYWHFPDQUCPB-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472618 276073075 /nfs/dbraw/zinc/07/30/75/276073075.db2.gz MASYWHFPDQUCPB-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000338282110 276096546 /nfs/dbraw/zinc/09/65/46/276096546.db2.gz NTPWRXTYCOXDKZ-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000338282110 276096547 /nfs/dbraw/zinc/09/65/47/276096547.db2.gz NTPWRXTYCOXDKZ-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000449785028 276106102 /nfs/dbraw/zinc/10/61/02/276106102.db2.gz ZIWOZISYDAHPCU-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000449785028 276106105 /nfs/dbraw/zinc/10/61/05/276106105.db2.gz ZIWOZISYDAHPCU-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000443405664 276149029 /nfs/dbraw/zinc/14/90/29/276149029.db2.gz KLUCSTSPSVHELP-RDJZCZTQSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000443405664 276149032 /nfs/dbraw/zinc/14/90/32/276149032.db2.gz KLUCSTSPSVHELP-RDJZCZTQSA-N 2 1 264.457 3.395 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC(C)C)CC2)[C@H](C)C1 ZINC000090234376 276216784 /nfs/dbraw/zinc/21/67/84/276216784.db2.gz WSCNUJISXPHGFS-HUUCEWRRSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(CSC)CC1 ZINC000423297838 276242847 /nfs/dbraw/zinc/24/28/47/276242847.db2.gz MBNMXGVTFGFMEI-JXQTWKCFSA-N 2 1 258.475 3.015 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414959635 276270620 /nfs/dbraw/zinc/27/06/20/276270620.db2.gz PZUOUKYYJGYOTP-NWDGAFQWSA-N 2 1 288.357 3.397 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163404575 276331302 /nfs/dbraw/zinc/33/13/02/276331302.db2.gz XASXLKIHGDVHNI-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+](CC)CC)C1 ZINC000351470266 276398872 /nfs/dbraw/zinc/39/88/72/276398872.db2.gz BHEDYKVIISPQDF-HUUCEWRRSA-N 2 1 272.502 3.324 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000450562077 276399432 /nfs/dbraw/zinc/39/94/32/276399432.db2.gz HKVPDNRMKICPOM-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000450562077 276399435 /nfs/dbraw/zinc/39/94/35/276399435.db2.gz HKVPDNRMKICPOM-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000450562077 276399438 /nfs/dbraw/zinc/39/94/38/276399438.db2.gz HKVPDNRMKICPOM-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@@H]([NH2+]CCSc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422766186 276435993 /nfs/dbraw/zinc/43/59/93/276435993.db2.gz LORDVMOGRPPEOE-CVEARBPZSA-N 2 1 278.465 3.207 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000430694969 276555660 /nfs/dbraw/zinc/55/56/60/276555660.db2.gz FYXCZKQFWSBFDX-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423184131 276659817 /nfs/dbraw/zinc/65/98/17/276659817.db2.gz LPZRKDRFLDYGFY-GFCCVEGCSA-N 2 1 272.392 3.398 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000271863484 277023570 /nfs/dbraw/zinc/02/35/70/277023570.db2.gz KZENFMDEUVNTFN-KRWDZBQOSA-N 2 1 274.383 3.055 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000089428134 277078068 /nfs/dbraw/zinc/07/80/68/277078068.db2.gz HFARAUQJVGFUDC-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000089428134 277078069 /nfs/dbraw/zinc/07/80/69/277078069.db2.gz HFARAUQJVGFUDC-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000089428134 277078070 /nfs/dbraw/zinc/07/80/70/277078070.db2.gz HFARAUQJVGFUDC-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccccc2F)C1 ZINC000271345108 277078519 /nfs/dbraw/zinc/07/85/19/277078519.db2.gz XVIVQFWFPLDMHB-GJZGRUSLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271345108 277078520 /nfs/dbraw/zinc/07/85/20/277078520.db2.gz XVIVQFWFPLDMHB-GJZGRUSLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271345108 277078521 /nfs/dbraw/zinc/07/85/21/277078521.db2.gz XVIVQFWFPLDMHB-GJZGRUSLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423281992 277282914 /nfs/dbraw/zinc/28/29/14/277282914.db2.gz WAYIGAUAIMHMHL-NHCYSSNCSA-N 2 1 270.467 3.119 20 0 CGADMP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000354965712 277735246 /nfs/dbraw/zinc/73/52/46/277735246.db2.gz KPIZGMFJUYROLL-WBMJQRKESA-N 2 1 296.842 3.100 20 0 CGADMP Cc1cnc(CNCCC[N@H+](C)C2CCCCC2)s1 ZINC000394744484 288003474 /nfs/dbraw/zinc/00/34/74/288003474.db2.gz KKHDQXKZABFSNK-UHFFFAOYSA-N 2 1 281.469 3.196 20 0 CGADMP CC1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252513525 278201124 /nfs/dbraw/zinc/20/11/24/278201124.db2.gz VWHUUTYKRHFOGL-CABCVRRESA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cs2)C[C@H]1C[NH3+] ZINC000397305237 288023098 /nfs/dbraw/zinc/02/30/98/288023098.db2.gz MGSWLPIRSAXRBO-OUAUKWLOSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)cs2)C[C@H]1C[NH3+] ZINC000397305237 288023099 /nfs/dbraw/zinc/02/30/99/288023099.db2.gz MGSWLPIRSAXRBO-OUAUKWLOSA-N 2 1 272.845 3.207 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000423391382 278222494 /nfs/dbraw/zinc/22/24/94/278222494.db2.gz PGTPAWULJZZZHF-ZIAGYGMSSA-N 2 1 250.430 3.077 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC1(C)C ZINC000397772444 288030094 /nfs/dbraw/zinc/03/00/94/288030094.db2.gz HNOITYNBGZIMRN-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC1(C)C ZINC000397772444 288030095 /nfs/dbraw/zinc/03/00/95/288030095.db2.gz HNOITYNBGZIMRN-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000459384307 288086801 /nfs/dbraw/zinc/08/68/01/288086801.db2.gz VPSAGBLYQHMHTA-HIFRSBDPSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000459384307 288086803 /nfs/dbraw/zinc/08/68/03/288086803.db2.gz VPSAGBLYQHMHTA-HIFRSBDPSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000459384307 288086805 /nfs/dbraw/zinc/08/68/05/288086805.db2.gz VPSAGBLYQHMHTA-HIFRSBDPSA-N 2 1 288.426 3.474 20 0 CGADMP CC(C)C[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595164 278965003 /nfs/dbraw/zinc/96/50/03/278965003.db2.gz UTYWWMCQEOVDSO-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000246937868 288102720 /nfs/dbraw/zinc/10/27/20/288102720.db2.gz OBKOANDYDVABLK-YUDUXTHKSA-N 2 1 252.446 3.129 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000514244235 279096508 /nfs/dbraw/zinc/09/65/08/279096508.db2.gz FBFDOUYUEQFFLS-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415068956 279272882 /nfs/dbraw/zinc/27/28/82/279272882.db2.gz RWYPLXKUDZUQHW-CXAGYDPISA-N 2 1 278.415 3.254 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1CCC[C@@H](CC)C1)[NH+]1CCCC1 ZINC000462679899 280146591 /nfs/dbraw/zinc/14/65/91/280146591.db2.gz LRSFKCPJKIHQFS-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415134924 280239141 /nfs/dbraw/zinc/23/91/41/280239141.db2.gz WLAAAYPDXZIMCF-NJAFHUGGSA-N 2 1 274.452 3.343 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000529524443 288258025 /nfs/dbraw/zinc/25/80/25/288258025.db2.gz AWKXFIQEWFNOGF-OAHLLOKOSA-N 2 1 280.375 3.271 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529537849 288260269 /nfs/dbraw/zinc/26/02/69/288260269.db2.gz HPKQEULBWLLBHB-QWHCGFSZSA-N 2 1 274.399 3.130 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211652 288300531 /nfs/dbraw/zinc/30/05/31/288300531.db2.gz PHPUAFFPXXHVGU-CABCVRRESA-N 2 1 272.417 3.385 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000420309730 282038520 /nfs/dbraw/zinc/03/85/20/282038520.db2.gz FERSJYNQCVTARM-UKRRQHHQSA-N 2 1 293.480 3.150 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000414690227 282039066 /nfs/dbraw/zinc/03/90/66/282039066.db2.gz HKVWLJMUEBGBKD-OSAQELSMSA-N 2 1 293.480 3.149 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)[C@@H](C)C1 ZINC000550858032 289087330 /nfs/dbraw/zinc/08/73/30/289087330.db2.gz HECBRXRHVGAYBY-VXGQWTEUSA-N 2 1 252.446 3.131 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000550887440 289089089 /nfs/dbraw/zinc/08/90/89/289089089.db2.gz QFNUABHYNFTTBT-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554090440 289257684 /nfs/dbraw/zinc/25/76/84/289257684.db2.gz RJPTXJKNCIJKMK-OEAJRASXSA-N 2 1 294.389 3.140 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554090440 289257685 /nfs/dbraw/zinc/25/76/85/289257685.db2.gz RJPTXJKNCIJKMK-OEAJRASXSA-N 2 1 294.389 3.140 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000556225623 289378391 /nfs/dbraw/zinc/37/83/91/289378391.db2.gz YONSPAMPCLHGSW-MMFDQKDXSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1N(C)C ZINC000371333526 290053793 /nfs/dbraw/zinc/05/37/93/290053793.db2.gz DLXBZIRAZMOPBJ-JYJNAYRXSA-N 2 1 287.451 3.030 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423005776 290057849 /nfs/dbraw/zinc/05/78/49/290057849.db2.gz SSNKYDSBUUGISR-OQUILHJVSA-N 2 1 258.409 3.355 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC12CCC2 ZINC000337411594 290387470 /nfs/dbraw/zinc/38/74/70/290387470.db2.gz WGNWIRDEWCRXBZ-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)C1CCCCC1 ZINC000414855913 295264167 /nfs/dbraw/zinc/26/41/67/295264167.db2.gz XWHOPTNQNOKEDD-KRWDZBQOSA-N 2 1 294.483 3.223 20 0 CGADMP COc1ccccc1/C=C\C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414831547 295348342 /nfs/dbraw/zinc/34/83/42/295348342.db2.gz CLCDDKIBTIFEGK-GJBHZFNWSA-N 2 1 288.435 3.206 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000449060841 298920749 /nfs/dbraw/zinc/92/07/49/298920749.db2.gz UOQSLTKMDOVBQZ-CQSZACIVSA-N 2 1 264.413 3.065 20 0 CGADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCC3CCCCC3)[C@@H]2C1 ZINC000582513803 329099282 /nfs/dbraw/zinc/09/92/82/329099282.db2.gz QPHJWICWARFTNP-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@H]2CC[NH+](CCCC3CCCCC3)[C@@H]2C1 ZINC000582513803 329099284 /nfs/dbraw/zinc/09/92/84/329099284.db2.gz QPHJWICWARFTNP-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@H+](CCCC3CCCCC3)[C@@H]2C1 ZINC000582513803 329099286 /nfs/dbraw/zinc/09/92/86/329099286.db2.gz QPHJWICWARFTNP-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCC3CCCCC3)[C@@H]2C1 ZINC000582513803 329099288 /nfs/dbraw/zinc/09/92/88/329099288.db2.gz QPHJWICWARFTNP-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000563135943 321979353 /nfs/dbraw/zinc/97/93/53/321979353.db2.gz WACYLNGQJVOUTA-JGVFFNPUSA-N 2 1 279.186 3.348 20 0 CGADMP CC(C)C1CCC(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000564299661 322026002 /nfs/dbraw/zinc/02/60/02/322026002.db2.gz RSXVCMFVVGWNGJ-HIEASXQVSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000564299661 322026003 /nfs/dbraw/zinc/02/60/03/322026003.db2.gz RSXVCMFVVGWNGJ-HIEASXQVSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000564299661 322026005 /nfs/dbraw/zinc/02/60/05/322026005.db2.gz RSXVCMFVVGWNGJ-HIEASXQVSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000564299661 322026007 /nfs/dbraw/zinc/02/60/07/322026007.db2.gz RSXVCMFVVGWNGJ-HIEASXQVSA-N 2 1 278.484 3.475 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000564376015 322028984 /nfs/dbraw/zinc/02/89/84/322028984.db2.gz CBECEFUXNMDGJD-PBHICJAKSA-N 2 1 264.457 3.252 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000564728897 322040540 /nfs/dbraw/zinc/04/05/40/322040540.db2.gz KWJAAUAEOQECAH-OALUTQOASA-N 2 1 286.463 3.249 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000565747755 322089450 /nfs/dbraw/zinc/08/94/50/322089450.db2.gz QVOHJJCPZPZIGV-QGZVFWFLSA-N 2 1 288.479 3.458 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000566412238 322120569 /nfs/dbraw/zinc/12/05/69/322120569.db2.gz STPWUJMVXCZHCT-GOEBONIOSA-N 2 1 288.435 3.320 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000566419507 322122007 /nfs/dbraw/zinc/12/20/07/322122007.db2.gz VXQLDHQIMQBOIV-UHFFFAOYSA-N 2 1 295.789 3.277 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000566419507 322122009 /nfs/dbraw/zinc/12/20/09/322122009.db2.gz VXQLDHQIMQBOIV-UHFFFAOYSA-N 2 1 295.789 3.277 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000567416458 322162598 /nfs/dbraw/zinc/16/25/98/322162598.db2.gz UTFCWLCCKKFQPE-KXBFYZLASA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968852 322261584 /nfs/dbraw/zinc/26/15/84/322261584.db2.gz MYUHHCDRCGJEQZ-BLLLJJGKSA-N 2 1 290.382 3.344 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968852 322261585 /nfs/dbraw/zinc/26/15/85/322261585.db2.gz MYUHHCDRCGJEQZ-BLLLJJGKSA-N 2 1 290.382 3.344 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968852 322261586 /nfs/dbraw/zinc/26/15/86/322261586.db2.gz MYUHHCDRCGJEQZ-BLLLJJGKSA-N 2 1 290.382 3.344 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000569968852 322261587 /nfs/dbraw/zinc/26/15/87/322261587.db2.gz MYUHHCDRCGJEQZ-BLLLJJGKSA-N 2 1 290.382 3.344 20 0 CGADMP COc1cccc2c1CCC[C@H]2[NH2+][C@H](C[NH3+])CC(C)C ZINC000570035586 322263365 /nfs/dbraw/zinc/26/33/65/322263365.db2.gz KUUKDZOFSNPXNF-XJKSGUPXSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570514711 322275491 /nfs/dbraw/zinc/27/54/91/322275491.db2.gz UBPAEXAIPQWXTJ-BPQIPLTHSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570514711 322275493 /nfs/dbraw/zinc/27/54/93/322275493.db2.gz UBPAEXAIPQWXTJ-BPQIPLTHSA-N 2 1 284.447 3.429 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000571194022 322292568 /nfs/dbraw/zinc/29/25/68/322292568.db2.gz LNNCSELKJZQULW-NSHDSACASA-N 2 1 270.417 3.198 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@H+](CCC3CCCCCC3)[C@@H]2C1 ZINC000571327979 322295964 /nfs/dbraw/zinc/29/59/64/322295964.db2.gz GNDJLGZVEYOATI-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+]1CC[C@H]2CC[NH+](CCC3CCCCCC3)[C@@H]2C1 ZINC000571327979 322295962 /nfs/dbraw/zinc/29/59/62/322295962.db2.gz GNDJLGZVEYOATI-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@H]2CC[NH+](CCC3CCCCCC3)[C@@H]2C1 ZINC000571327979 322295963 /nfs/dbraw/zinc/29/59/63/322295963.db2.gz GNDJLGZVEYOATI-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1c[nH+]ccc1N ZINC000572147755 322322206 /nfs/dbraw/zinc/32/22/06/322322206.db2.gz CRGMNPIDXWALEI-SIIHOXLZSA-N 2 1 297.402 3.065 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000572175346 322323310 /nfs/dbraw/zinc/32/33/10/322323310.db2.gz GSKNWSBBANLMNK-SFHVURJKSA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000572175346 322323313 /nfs/dbraw/zinc/32/33/13/322323313.db2.gz GSKNWSBBANLMNK-SFHVURJKSA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000572175346 322323316 /nfs/dbraw/zinc/32/33/16/322323316.db2.gz GSKNWSBBANLMNK-SFHVURJKSA-N 2 1 297.446 3.450 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000572326963 322331939 /nfs/dbraw/zinc/33/19/39/322331939.db2.gz OLVFXIWKRAIPIC-ZIAGYGMSSA-N 2 1 263.429 3.463 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000573481302 322390107 /nfs/dbraw/zinc/39/01/07/322390107.db2.gz TUSHIPPYGDWNHC-UKRRQHHQSA-N 2 1 269.392 3.438 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2c1 ZINC000573481302 322390110 /nfs/dbraw/zinc/39/01/10/322390110.db2.gz TUSHIPPYGDWNHC-UKRRQHHQSA-N 2 1 269.392 3.438 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000582666651 329121933 /nfs/dbraw/zinc/12/19/33/329121933.db2.gz YGKNTMWUFGBOIK-CHWSQXEVSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000582666651 329121935 /nfs/dbraw/zinc/12/19/35/329121935.db2.gz YGKNTMWUFGBOIK-CHWSQXEVSA-N 2 1 293.480 3.360 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000583139162 329325907 /nfs/dbraw/zinc/32/59/07/329325907.db2.gz DTPNZTPCICKALX-KRWDZBQOSA-N 2 1 275.440 3.301 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000397751969 329390119 /nfs/dbraw/zinc/39/01/19/329390119.db2.gz CCONRNSLJSIDCB-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000580493515 330349344 /nfs/dbraw/zinc/34/93/44/330349344.db2.gz LERNRZONSRFZJS-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000580493515 330349345 /nfs/dbraw/zinc/34/93/45/330349345.db2.gz LERNRZONSRFZJS-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000576703600 335237170 /nfs/dbraw/zinc/23/71/70/335237170.db2.gz XYHDUVIESBZLEF-RDJZCZTQSA-N 2 1 260.425 3.097 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000581162779 336016995 /nfs/dbraw/zinc/01/69/95/336016995.db2.gz CQFYUVGEAKOSNO-DNVCBOLYSA-N 2 1 286.463 3.064 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000581162779 336016996 /nfs/dbraw/zinc/01/69/96/336016996.db2.gz CQFYUVGEAKOSNO-DNVCBOLYSA-N 2 1 286.463 3.064 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194855828 336039737 /nfs/dbraw/zinc/03/97/37/336039737.db2.gz SSNKWZJCQDUXLN-RHSMWYFYSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC2CCC1CC2 ZINC000381516237 336067259 /nfs/dbraw/zinc/06/72/59/336067259.db2.gz LSSLUTARWLCOIU-AEBFRWMCSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC2CCC1CC2 ZINC000381516237 336067260 /nfs/dbraw/zinc/06/72/60/336067260.db2.gz LSSLUTARWLCOIU-AEBFRWMCSA-N 2 1 264.457 3.274 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC000581604337 336110672 /nfs/dbraw/zinc/11/06/72/336110672.db2.gz BQVDXIVSSVQTKB-AWEZNQCLSA-N 2 1 269.392 3.297 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC000581604337 336110673 /nfs/dbraw/zinc/11/06/73/336110673.db2.gz BQVDXIVSSVQTKB-AWEZNQCLSA-N 2 1 269.392 3.297 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000383554121 336113770 /nfs/dbraw/zinc/11/37/70/336113770.db2.gz IBBRWDUGCOEVSW-INIZCTEOSA-N 2 1 260.425 3.288 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000386288088 336169960 /nfs/dbraw/zinc/16/99/60/336169960.db2.gz GKSIPTAQNMUADM-CWRNSKLLSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000386288088 336169961 /nfs/dbraw/zinc/16/99/61/336169961.db2.gz GKSIPTAQNMUADM-CWRNSKLLSA-N 2 1 252.446 3.297 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000581944304 336174289 /nfs/dbraw/zinc/17/42/89/336174289.db2.gz DCLOMXVRZGZNBA-YJBOKZPZSA-N 2 1 296.418 3.340 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)C[NH+](C)C ZINC000386450630 336175136 /nfs/dbraw/zinc/17/51/36/336175136.db2.gz DOVOXBXJTDDCOV-MNOVXSKESA-N 2 1 272.795 3.327 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157478679 520734767 /nfs/dbraw/zinc/73/47/67/520734767.db2.gz LAEIQZXIXJNUHX-KBPBESRZSA-N 2 1 266.404 3.077 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000081572876 521492832 /nfs/dbraw/zinc/49/28/32/521492832.db2.gz QMRZUFLBZCIAGS-INIZCTEOSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000081572876 521492845 /nfs/dbraw/zinc/49/28/45/521492845.db2.gz QMRZUFLBZCIAGS-INIZCTEOSA-N 2 1 260.425 3.159 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449129265 533722684 /nfs/dbraw/zinc/72/26/84/533722684.db2.gz USULQUBYFHOTFZ-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449129265 533722695 /nfs/dbraw/zinc/72/26/95/533722695.db2.gz USULQUBYFHOTFZ-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(C(F)(F)F)c1 ZINC000423327320 533835589 /nfs/dbraw/zinc/83/55/89/533835589.db2.gz MVQPPIYZSJXOFU-JTQLQIEISA-N 2 1 272.314 3.237 20 0 CGADMP COc1cccc2c(NCC[N@H+](C)C3CC3)cc(C)[nH+]c12 ZINC000359482631 533845807 /nfs/dbraw/zinc/84/58/07/533845807.db2.gz QXRSTVUUEMQEQK-UHFFFAOYSA-N 2 1 285.391 3.058 20 0 CGADMP COc1cccc2c(NCC[N@@H+](C)C3CC3)cc(C)[nH+]c12 ZINC000359482631 533845826 /nfs/dbraw/zinc/84/58/26/533845826.db2.gz QXRSTVUUEMQEQK-UHFFFAOYSA-N 2 1 285.391 3.058 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423258098 533873914 /nfs/dbraw/zinc/87/39/14/533873914.db2.gz AZMQTUDCLCQDLN-IAGOWNOFSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CC[N@H+]1C ZINC000359717613 533955593 /nfs/dbraw/zinc/95/55/93/533955593.db2.gz JGBZLACJUMVZIE-RHSMWYFYSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368564341 533982348 /nfs/dbraw/zinc/98/23/48/533982348.db2.gz QXEDBOJTMYYEIK-JLSDUUJJSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424373407 534246820 /nfs/dbraw/zinc/24/68/20/534246820.db2.gz GTSBEVRMYPAFFM-DLBZAZTESA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000157966280 534253650 /nfs/dbraw/zinc/25/36/50/534253650.db2.gz UQRCFPGCESLGHO-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423547295 534267194 /nfs/dbraw/zinc/26/71/94/534267194.db2.gz FZCITAZLBKRXRQ-DZGCQCFKSA-N 2 1 272.392 3.096 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000151132399 519864072 /nfs/dbraw/zinc/86/40/72/519864072.db2.gz JYYPVGHCVZSCFT-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP c1cc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2o1 ZINC000449068841 534476635 /nfs/dbraw/zinc/47/66/35/534476635.db2.gz DAZGBKUPXJDPPS-UHFFFAOYSA-N 2 1 270.376 3.149 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414169651 534480643 /nfs/dbraw/zinc/48/06/43/534480643.db2.gz BGNQPURUZXWOOD-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC000081572876 521492819 /nfs/dbraw/zinc/49/28/19/521492819.db2.gz QMRZUFLBZCIAGS-INIZCTEOSA-N 2 1 260.425 3.159 20 0 CGADMP [NH3+]CCCCNc1cc[nH+]c2c(Br)cccc12 ZINC000420242864 534606955 /nfs/dbraw/zinc/60/69/55/534606955.db2.gz XDXRRQKITDAIJB-UHFFFAOYSA-N 2 1 294.196 3.148 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C1CCCC1 ZINC000423497974 534677150 /nfs/dbraw/zinc/67/71/50/534677150.db2.gz ASBIKUDBAUFTRV-JKSUJKDBSA-N 2 1 278.827 3.434 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C3CC3)c2)CC[N@H+]1C ZINC000157700587 524926050 /nfs/dbraw/zinc/92/60/50/524926050.db2.gz XIXLARCEVULNDE-SUMWQHHRSA-N 2 1 258.409 3.136 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000157477874 525332231 /nfs/dbraw/zinc/33/22/31/525332231.db2.gz QSECTBDBJLVINB-JBBXEZCESA-N 2 1 282.387 3.491 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC=CCC3)CC2)cc1 ZINC000088747506 526468199 /nfs/dbraw/zinc/46/81/99/526468199.db2.gz SOIWDNAHEWCMGY-KRWDZBQOSA-N 2 1 270.420 3.349 20 0 CGADMP c1csc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)c1 ZINC000157554600 526587492 /nfs/dbraw/zinc/58/74/92/526587492.db2.gz TVPOKNXNMYLOGZ-IIAWOOMASA-N 2 1 276.449 3.416 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)n1 ZINC000155822725 527307039 /nfs/dbraw/zinc/30/70/39/527307039.db2.gz CCDWUJBBYARPGH-CQSZACIVSA-N 2 1 292.471 3.253 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]CCOC2CCCCC2)c2ccccc21 ZINC000157450884 527419649 /nfs/dbraw/zinc/41/96/49/527419649.db2.gz LWUZSBAJCVAEDV-IRXDYDNUSA-N 2 1 274.408 3.070 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)nc2C)C[C@@H]1C ZINC000359888506 527754451 /nfs/dbraw/zinc/75/44/51/527754451.db2.gz TXRBNCIAIOWTLZ-WMLDXEAASA-N 2 1 275.440 3.003 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)nc2C)C[C@@H]1C ZINC000359888506 527754458 /nfs/dbraw/zinc/75/44/58/527754458.db2.gz TXRBNCIAIOWTLZ-WMLDXEAASA-N 2 1 275.440 3.003 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)nc2C)C[C@@H]1C ZINC000359888506 527754462 /nfs/dbraw/zinc/75/44/62/527754462.db2.gz TXRBNCIAIOWTLZ-WMLDXEAASA-N 2 1 275.440 3.003 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)nc2C)C[C@@H]1C ZINC000359888506 527754467 /nfs/dbraw/zinc/75/44/67/527754467.db2.gz TXRBNCIAIOWTLZ-WMLDXEAASA-N 2 1 275.440 3.003 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423316692 527782103 /nfs/dbraw/zinc/78/21/03/527782103.db2.gz JYUGLBZPPWYOGX-KBXCAEBGSA-N 2 1 290.451 3.499 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)C1 ZINC000424262792 527814666 /nfs/dbraw/zinc/81/46/66/527814666.db2.gz GQMAWHDOLAVQAB-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)C1 ZINC000424262792 527814670 /nfs/dbraw/zinc/81/46/70/527814670.db2.gz GQMAWHDOLAVQAB-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)c1 ZINC000414109217 527846015 /nfs/dbraw/zinc/84/60/15/527846015.db2.gz GYYDVZFLRYRBAM-CKEIUWERSA-N 2 1 260.425 3.272 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]2SC)c1 ZINC000425351586 527846033 /nfs/dbraw/zinc/84/60/33/527846033.db2.gz MCRWRLYYXWWLAN-HZPDHXFCSA-N 2 1 278.465 3.122 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(C)cc2)C1 ZINC000176280619 527848151 /nfs/dbraw/zinc/84/81/51/527848151.db2.gz QFXWDYAHMNKCPX-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC000176280619 527848154 /nfs/dbraw/zinc/84/81/54/527848154.db2.gz QFXWDYAHMNKCPX-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000176280619 527848165 /nfs/dbraw/zinc/84/81/65/527848165.db2.gz QFXWDYAHMNKCPX-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CC(C)OC1CC([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000428257107 527880065 /nfs/dbraw/zinc/88/00/65/527880065.db2.gz BAFBEXHEYVWZSP-UHFFFAOYSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449188628 527955465 /nfs/dbraw/zinc/95/54/65/527955465.db2.gz SRODJBKBQCGXQM-HNNXBMFYSA-N 2 1 284.488 3.290 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354847399 528184052 /nfs/dbraw/zinc/18/40/52/528184052.db2.gz ZOXYNGZXSDGQQH-MRXNPFEDSA-N 2 1 284.488 3.245 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccccc2F)CC1 ZINC000137572782 528193842 /nfs/dbraw/zinc/19/38/42/528193842.db2.gz JEEXGXOANHOPKH-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC(C)C[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000414812831 528328394 /nfs/dbraw/zinc/32/83/94/528328394.db2.gz PQUJQYGTYMKFOH-IRXDYDNUSA-N 2 1 260.425 3.143 20 0 CGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000359874843 528373415 /nfs/dbraw/zinc/37/34/15/528373415.db2.gz MXULGIJTBSFQKM-ZDUSSCGKSA-N 2 1 290.436 3.128 20 0 CGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000359874843 528373419 /nfs/dbraw/zinc/37/34/19/528373419.db2.gz MXULGIJTBSFQKM-ZDUSSCGKSA-N 2 1 290.436 3.128 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1OCC ZINC000423338139 528606278 /nfs/dbraw/zinc/60/62/78/528606278.db2.gz VRNCELGLOYURLN-ZDUSSCGKSA-N 2 1 292.423 3.016 20 0 CGADMP CC(C)n1cncc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000424126927 528625108 /nfs/dbraw/zinc/62/51/08/528625108.db2.gz CHUNNSQMTFKFQV-MRXNPFEDSA-N 2 1 292.471 3.208 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)C)[C@H](C)C1 ZINC000437076627 528663155 /nfs/dbraw/zinc/66/31/55/528663155.db2.gz OVVXANVLZATGLO-IAGOWNOFSA-N 2 1 298.515 3.395 20 0 CGADMP CCOCC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411441425 528713542 /nfs/dbraw/zinc/71/35/42/528713542.db2.gz JERGNDHVXWHVJK-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000423304570 528823934 /nfs/dbraw/zinc/82/39/34/528823934.db2.gz YZPCYCJEHWFCHA-YPMHNXCESA-N 2 1 268.376 3.002 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCOCC2)c1 ZINC000356653360 528835482 /nfs/dbraw/zinc/83/54/82/528835482.db2.gz AWMYCQYQDTZYTF-GOSISDBHSA-N 2 1 290.451 3.186 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000423286801 528952591 /nfs/dbraw/zinc/95/25/91/528952591.db2.gz IUYBTGOLWMWRJL-CYBMUJFWSA-N 2 1 292.423 3.016 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCc2sccc21 ZINC000423289543 528954429 /nfs/dbraw/zinc/95/44/29/528954429.db2.gz XMWWPJODLWPIBM-LBPRGKRZSA-N 2 1 252.427 3.233 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000414818574 528954494 /nfs/dbraw/zinc/95/44/94/528954494.db2.gz WCXMCFHSQXDQFZ-GOEBONIOSA-N 2 1 278.440 3.123 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000437758249 529050698 /nfs/dbraw/zinc/05/06/98/529050698.db2.gz AWUHFKXWDHPQTQ-CABCVRRESA-N 2 1 278.415 3.078 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CC[C@@H](C)C3)sc2C1 ZINC000436404329 529084867 /nfs/dbraw/zinc/08/48/67/529084867.db2.gz LOZBMHISCHJHKE-OLZOCXBDSA-N 2 1 293.480 3.188 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC[C@@H](C)C3)sc2C1 ZINC000436404329 529084873 /nfs/dbraw/zinc/08/48/73/529084873.db2.gz LOZBMHISCHJHKE-OLZOCXBDSA-N 2 1 293.480 3.188 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(Cl)c1 ZINC000423337346 529157389 /nfs/dbraw/zinc/15/73/89/529157389.db2.gz VHOPUQAIBPYJOQ-CYBMUJFWSA-N 2 1 252.789 3.262 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC ZINC000414172517 529168219 /nfs/dbraw/zinc/16/82/19/529168219.db2.gz FJYGDUYSPAOEAU-DOTOQJQBSA-N 2 1 290.451 3.468 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423282628 529257776 /nfs/dbraw/zinc/25/77/76/529257776.db2.gz CZDNTQUHAAHFAR-NSHDSACASA-N 2 1 252.427 3.187 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459474936 535130389 /nfs/dbraw/zinc/13/03/89/535130389.db2.gz ZZPDPOGWNWRFKY-AEFFLSMTSA-N 2 1 294.483 3.187 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2CCc2cccc(Cl)c2)CC1 ZINC000459507647 536348650 /nfs/dbraw/zinc/34/86/50/536348650.db2.gz IVLBBWUVNSBEIZ-UHFFFAOYSA-N 2 1 292.854 3.443 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000728686055 571815454 /nfs/dbraw/zinc/81/54/54/571815454.db2.gz LHGYUMLPJSJEEB-ZDUSSCGKSA-N 2 1 293.282 3.232 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000729682768 571929287 /nfs/dbraw/zinc/92/92/87/571929287.db2.gz IPYULBODZIFGGI-MRXNPFEDSA-N 2 1 297.446 3.445 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2cccs2)CC1 ZINC000725798671 572406767 /nfs/dbraw/zinc/40/67/67/572406767.db2.gz LMISLRVJQWUGSI-UHFFFAOYSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000261921164 618196697 /nfs/dbraw/zinc/19/66/97/618196697.db2.gz BPNCDELUJKQDKX-XJKSGUPXSA-N 2 1 278.827 3.129 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050600889 618675762 /nfs/dbraw/zinc/67/57/62/618675762.db2.gz FAQZKTPAEGEAAV-QGZVFWFLSA-N 2 1 260.425 3.385 20 0 CGADMP C[N@H+](Cc1ccccc1Br)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545692 618688523 /nfs/dbraw/zinc/68/85/23/618688523.db2.gz BQSIYUUYZQNAGE-YPMHNXCESA-N 2 1 297.240 3.008 20 0 CGADMP C[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545688 618688549 /nfs/dbraw/zinc/68/85/49/618688549.db2.gz DZEIZVHIYUASCA-OCCSQVGLSA-N 2 1 297.240 3.008 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000892510829 618825231 /nfs/dbraw/zinc/82/52/31/618825231.db2.gz VPAXMGOPTQROKB-WMLDXEAASA-N 2 1 283.419 3.147 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CCC(C)(O)CC1)[NH+]1CCC(C)CC1 ZINC000892564948 618863745 /nfs/dbraw/zinc/86/37/45/618863745.db2.gz ZKQAVLLJYJPIFE-LXPRWKDFSA-N 2 1 296.499 3.026 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CCC(C)(O)CC1)[NH+]1CCC(C)CC1 ZINC000892564947 618863904 /nfs/dbraw/zinc/86/39/04/618863904.db2.gz ZKQAVLLJYJPIFE-ADKAHSJRSA-N 2 1 296.499 3.026 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019905734 618974032 /nfs/dbraw/zinc/97/40/32/618974032.db2.gz MUKHZOKWYIEBLD-UHFFFAOYSA-N 2 1 288.357 3.383 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000893029528 618980771 /nfs/dbraw/zinc/98/07/71/618980771.db2.gz MSBPQDRKKXMULK-KRWDZBQOSA-N 2 1 283.419 3.291 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000925702533 619152380 /nfs/dbraw/zinc/15/23/80/619152380.db2.gz BDOLBPDZHGJCEB-OWCLPIDISA-N 2 1 262.441 3.053 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261571929 619289217 /nfs/dbraw/zinc/28/92/17/619289217.db2.gz SECRUWDOIWAGHY-CWRNSKLLSA-N 2 1 278.827 3.208 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2cccc(F)c2)C1 ZINC000894086936 619364795 /nfs/dbraw/zinc/36/47/95/619364795.db2.gz OFQYLXRKWQKRDR-BIENSFFJSA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2cccc(F)c2)C1 ZINC000894086936 619364798 /nfs/dbraw/zinc/36/47/98/619364798.db2.gz OFQYLXRKWQKRDR-BIENSFFJSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2cccc(F)c2)C1 ZINC000894086936 619364801 /nfs/dbraw/zinc/36/48/01/619364801.db2.gz OFQYLXRKWQKRDR-BIENSFFJSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC000894086936 619364803 /nfs/dbraw/zinc/36/48/03/619364803.db2.gz OFQYLXRKWQKRDR-BIENSFFJSA-N 2 1 276.399 3.113 20 0 CGADMP CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261767643 619403995 /nfs/dbraw/zinc/40/39/95/619403995.db2.gz MBNSNYLIXQZOSE-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]12 ZINC000261776281 619406319 /nfs/dbraw/zinc/40/63/19/619406319.db2.gz PDXMGNDEUIJCGE-LERXQTSPSA-N 2 1 287.794 3.062 20 0 CGADMP c1ccc([C@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000261943921 619495479 /nfs/dbraw/zinc/49/54/79/619495479.db2.gz NCCSHRUISBUFQU-QGZVFWFLSA-N 2 1 258.409 3.213 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000894568671 619578619 /nfs/dbraw/zinc/57/86/19/619578619.db2.gz LTOGNYOIIOHZPL-KGLIPLIRSA-N 2 1 292.389 3.381 20 0 CGADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1C[NH+](C)C ZINC000894865900 619659676 /nfs/dbraw/zinc/65/96/76/619659676.db2.gz PMSNXORPFVJAPK-AYHJJNSGSA-N 2 1 287.451 3.094 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cnc(-c2ccccc2)s1)[NH+](C)C ZINC000895297800 619798899 /nfs/dbraw/zinc/79/88/99/619798899.db2.gz PMHVZZLJTHKNID-ZDUSSCGKSA-N 2 1 289.448 3.240 20 0 CGADMP CC[C@H]1C[C@@H](C[N@@H+](C)CCCC[NH+]2CCCCC2)CCO1 ZINC000895683488 619872042 /nfs/dbraw/zinc/87/20/42/619872042.db2.gz MCOCKUUGBVCDCW-ROUUACIJSA-N 2 1 296.499 3.390 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000897414481 620295363 /nfs/dbraw/zinc/29/53/63/620295363.db2.gz CYAQHXXCEKLBDE-SQWLQELKSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000897414481 620295368 /nfs/dbraw/zinc/29/53/68/620295368.db2.gz CYAQHXXCEKLBDE-SQWLQELKSA-N 2 1 276.424 3.137 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621694 620410550 /nfs/dbraw/zinc/41/05/50/620410550.db2.gz OGFFQOUIPQKXCB-UWWQBHOKSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621694 620410554 /nfs/dbraw/zinc/41/05/54/620410554.db2.gz OGFFQOUIPQKXCB-UWWQBHOKSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621694 620410557 /nfs/dbraw/zinc/41/05/57/620410557.db2.gz OGFFQOUIPQKXCB-UWWQBHOKSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621694 620410561 /nfs/dbraw/zinc/41/05/61/620410561.db2.gz OGFFQOUIPQKXCB-UWWQBHOKSA-N 2 1 290.426 3.030 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000311025507 620459411 /nfs/dbraw/zinc/45/94/11/620459411.db2.gz PANJTDCHLMSRLE-NEPJUHHUSA-N 2 1 262.388 3.117 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000311025507 620459416 /nfs/dbraw/zinc/45/94/16/620459416.db2.gz PANJTDCHLMSRLE-NEPJUHHUSA-N 2 1 262.388 3.117 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CCCC2)CC[N@H+]1C ZINC000898032753 620470245 /nfs/dbraw/zinc/47/02/45/620470245.db2.gz WYMJHOVPMZGXRE-PMPSAXMXSA-N 2 1 250.430 3.195 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCCCC2)[C@@H](C)C1 ZINC000898262282 620500864 /nfs/dbraw/zinc/50/08/64/620500864.db2.gz ZDOPJSCKZVSGDP-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706679 620541308 /nfs/dbraw/zinc/54/13/08/620541308.db2.gz BXNVTUJYIYICCA-WFASDCNBSA-N 2 1 276.415 3.365 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CC=CC2)[C@@H](C)C1 ZINC000926952471 620554352 /nfs/dbraw/zinc/55/43/52/620554352.db2.gz YHMMBZUDXVWAPZ-FUHWJXTLSA-N 2 1 294.483 3.069 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC000054601709 620577670 /nfs/dbraw/zinc/57/76/70/620577670.db2.gz WJSCTRBZHCEXAZ-AGUYFDCRSA-N 2 1 264.800 3.184 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC000054601709 620577672 /nfs/dbraw/zinc/57/76/72/620577672.db2.gz WJSCTRBZHCEXAZ-AGUYFDCRSA-N 2 1 264.800 3.184 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccccc2NC)CC1 ZINC000902125838 621163981 /nfs/dbraw/zinc/16/39/81/621163981.db2.gz CHPJUEJTJYFYEE-UHFFFAOYSA-N 2 1 275.440 3.082 20 0 CGADMP COCC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C)o1 ZINC000902370533 621275894 /nfs/dbraw/zinc/27/58/94/621275894.db2.gz OZLAITDGNKKMDQ-CABCVRRESA-N 2 1 294.439 3.033 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000902411027 621295065 /nfs/dbraw/zinc/29/50/65/621295065.db2.gz UZAZIEWBLJUCMY-GXTWGEPZSA-N 2 1 264.800 3.057 20 0 CGADMP Clc1cccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)c1 ZINC000902468766 621340746 /nfs/dbraw/zinc/34/07/46/621340746.db2.gz VEWBLJQSFZCXJP-BTYMGIQYSA-N 2 1 290.838 3.459 20 0 CGADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000902732037 621416670 /nfs/dbraw/zinc/41/66/70/621416670.db2.gz VRVPJNCKHAYZHF-SFHVURJKSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903059673 621547205 /nfs/dbraw/zinc/54/72/05/621547205.db2.gz OCTGXNSBTGZSHP-CRAIPNDOSA-N 2 1 287.451 3.387 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903059673 621547209 /nfs/dbraw/zinc/54/72/09/621547209.db2.gz OCTGXNSBTGZSHP-CRAIPNDOSA-N 2 1 287.451 3.387 20 0 CGADMP CC(C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903125592 621589740 /nfs/dbraw/zinc/58/97/40/621589740.db2.gz NNJWQFWCHQVGMN-VHRNVKJDSA-N 2 1 262.441 3.170 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903213587 621631242 /nfs/dbraw/zinc/63/12/42/621631242.db2.gz SPEHPDHORDZGGZ-JATKITJMSA-N 2 1 262.441 3.313 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903341053 621695993 /nfs/dbraw/zinc/69/59/93/621695993.db2.gz VMLHQIUOHJXFQE-QGZVFWFLSA-N 2 1 287.451 3.385 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903377985 621721425 /nfs/dbraw/zinc/72/14/25/621721425.db2.gz AGVJNAWMKLORAR-YOEHRIQHSA-N 2 1 275.440 3.243 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427394 621742619 /nfs/dbraw/zinc/74/26/19/621742619.db2.gz YMLWYSWZWUFFLM-OCCSQVGLSA-N 2 1 286.341 3.265 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430977 621744208 /nfs/dbraw/zinc/74/42/08/621744208.db2.gz BBVOYHDIAZMUCE-VYDXJSESSA-N 2 1 258.409 3.259 20 0 CGADMP C[C@H]1SCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000903439102 621747766 /nfs/dbraw/zinc/74/77/66/621747766.db2.gz DHZBRALIWPAHHD-JHNDHUHGSA-N 2 1 290.476 3.292 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000903450420 621760795 /nfs/dbraw/zinc/76/07/95/621760795.db2.gz VBRDGFUNTSWABW-DZGCQCFKSA-N 2 1 278.465 3.358 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)on2)cc1 ZINC000903496858 621766482 /nfs/dbraw/zinc/76/64/82/621766482.db2.gz HRFBZPPMNCZWPN-GDBMZVCRSA-N 2 1 299.418 3.067 20 0 CGADMP c1cc([C@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]C2)cs1 ZINC000903724890 621797150 /nfs/dbraw/zinc/79/71/50/621797150.db2.gz RZODRGPPKINFMF-DZGCQCFKSA-N 2 1 264.438 3.275 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC000903713511 621798052 /nfs/dbraw/zinc/79/80/52/621798052.db2.gz UFTKCLHHMUOBNY-HNNXBMFYSA-N 2 1 260.425 3.241 20 0 CGADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCC(C)(C)CC1 ZINC000903733440 621800419 /nfs/dbraw/zinc/80/04/19/621800419.db2.gz KHRBJOSERWOJTA-MRXNPFEDSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@@]1(C)CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735212 621800515 /nfs/dbraw/zinc/80/05/15/621800515.db2.gz YMBGUOGQMUIXSW-SJORKVTESA-N 2 1 294.483 3.047 20 0 CGADMP C(C[N@H+]1CCCSC[C@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903826951 621817918 /nfs/dbraw/zinc/81/79/18/621817918.db2.gz OUZYWSJCALHZOY-YQAQFAQXSA-N 2 1 294.508 3.125 20 0 CGADMP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)CC[C@H]1c1ccccc1 ZINC000903898865 621830091 /nfs/dbraw/zinc/83/00/91/621830091.db2.gz OTZSTQLZBLSVCR-FVQBIDKESA-N 2 1 296.405 3.485 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)CC[C@H]1c1ccccc1 ZINC000903898865 621830093 /nfs/dbraw/zinc/83/00/93/621830093.db2.gz OTZSTQLZBLSVCR-FVQBIDKESA-N 2 1 296.405 3.485 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000903939154 621833456 /nfs/dbraw/zinc/83/34/56/621833456.db2.gz RTYURMDROBWBJX-UHFFFAOYSA-N 2 1 261.196 3.210 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903930357 621834534 /nfs/dbraw/zinc/83/45/34/621834534.db2.gz YCUUJVANFJTGCL-ZIAGYGMSSA-N 2 1 282.378 3.237 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)CC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903930357 621834535 /nfs/dbraw/zinc/83/45/35/621834535.db2.gz YCUUJVANFJTGCL-ZIAGYGMSSA-N 2 1 282.378 3.237 20 0 CGADMP CCC1([NH3+])CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000903946386 621839722 /nfs/dbraw/zinc/83/97/22/621839722.db2.gz QAICHKNBHFDCPQ-ARJAWSKDSA-N 2 1 262.372 3.042 20 0 CGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000903954302 621842369 /nfs/dbraw/zinc/84/23/69/621842369.db2.gz CTBKKIFGBWXWKV-LBPRGKRZSA-N 2 1 296.386 3.236 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cc2s1 ZINC000903978122 621844982 /nfs/dbraw/zinc/84/49/82/621844982.db2.gz FVBVRDOATDVKIR-BXUZGUMPSA-N 2 1 289.448 3.021 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000904301741 621901826 /nfs/dbraw/zinc/90/18/26/621901826.db2.gz QEQWVIQSHFUWTH-RISCZKNCSA-N 2 1 286.341 3.323 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000904301741 621901829 /nfs/dbraw/zinc/90/18/29/621901829.db2.gz QEQWVIQSHFUWTH-RISCZKNCSA-N 2 1 286.341 3.323 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)C1 ZINC000904322198 621905665 /nfs/dbraw/zinc/90/56/65/621905665.db2.gz RJNWETLHEGRTOG-WOVMCDHWSA-N 2 1 292.854 3.332 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904350454 621911271 /nfs/dbraw/zinc/91/12/71/621911271.db2.gz LVYPXMSNCXAYPX-GFCCVEGCSA-N 2 1 286.341 3.467 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904350454 621911274 /nfs/dbraw/zinc/91/12/74/621911274.db2.gz LVYPXMSNCXAYPX-GFCCVEGCSA-N 2 1 286.341 3.467 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904373389 621914402 /nfs/dbraw/zinc/91/44/02/621914402.db2.gz DFECRKBYHVBHDZ-CHWSQXEVSA-N 2 1 272.314 3.123 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904384023 621916402 /nfs/dbraw/zinc/91/64/02/621916402.db2.gz GLPFRYJBEZLJTQ-HRCADAONSA-N 2 1 288.435 3.002 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1C[NH3+] ZINC000904410805 621919070 /nfs/dbraw/zinc/91/90/70/621919070.db2.gz IOOUVUATRQEUGV-MAUKXSAKSA-N 2 1 295.430 3.165 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@@H](C)C1 ZINC000906525344 622243308 /nfs/dbraw/zinc/24/33/08/622243308.db2.gz LWGWKISGZJFDIG-WMLDXEAASA-N 2 1 299.418 3.162 20 0 CGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccnc(Cl)c2)C1 ZINC000151123090 622732518 /nfs/dbraw/zinc/73/25/18/622732518.db2.gz OPTFBKWZNYSVAU-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000151123090 622732525 /nfs/dbraw/zinc/73/25/25/622732525.db2.gz OPTFBKWZNYSVAU-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000151123090 622732530 /nfs/dbraw/zinc/73/25/30/622732530.db2.gz OPTFBKWZNYSVAU-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cncc2ccccc21 ZINC000165086627 622855135 /nfs/dbraw/zinc/85/51/35/622855135.db2.gz BZRBDKHHFWBHHE-QGZVFWFLSA-N 2 1 271.408 3.040 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224197680 622870359 /nfs/dbraw/zinc/87/03/59/622870359.db2.gz NRRPSGBCPCNJRP-MNOVXSKESA-N 2 1 272.314 3.047 20 0 CGADMP C[C@H](C[NH2+]Cc1cnc(C(C)(C)C)s1)C[NH+]1CCCC1 ZINC000059181018 622996756 /nfs/dbraw/zinc/99/67/56/622996756.db2.gz USPCUDHYMTVQAM-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP CC1(C)CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000231052020 623296250 /nfs/dbraw/zinc/29/62/50/623296250.db2.gz YDQNWOQEAOCKOH-UHFFFAOYSA-N 2 1 290.476 3.050 20 0 CGADMP c1cc(C[N@H+]2CCC3(CCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000312361530 623510604 /nfs/dbraw/zinc/51/06/04/623510604.db2.gz OKJUUGRBCHMCMN-UHFFFAOYSA-N 2 1 270.420 3.098 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921737066 625857376 /nfs/dbraw/zinc/85/73/76/625857376.db2.gz RQVAVEGXKGXKAB-BSDSXHPESA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921737066 625857378 /nfs/dbraw/zinc/85/73/78/625857378.db2.gz RQVAVEGXKGXKAB-BSDSXHPESA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cnc(Cl)c(CNCCC[N@H+](C)CC(C)C)c1 ZINC000922217691 625984998 /nfs/dbraw/zinc/98/49/98/625984998.db2.gz VMPUJMPAZRKKRP-UHFFFAOYSA-N 2 1 283.847 3.111 20 0 CGADMP C/C(=C/c1ccccc1)CNCc1cc(N(C)C)cc[nH+]1 ZINC000922478146 626008937 /nfs/dbraw/zinc/00/89/37/626008937.db2.gz KWIMSENRSMCNSJ-PTNGSMBKSA-N 2 1 281.403 3.341 20 0 CGADMP c1cc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)cs1 ZINC000923303956 626145214 /nfs/dbraw/zinc/14/52/14/626145214.db2.gz NRFAYZDLZBADDC-AWEZNQCLSA-N 2 1 250.411 3.027 20 0 CGADMP c1cc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cs1 ZINC000923303956 626145215 /nfs/dbraw/zinc/14/52/15/626145215.db2.gz NRFAYZDLZBADDC-AWEZNQCLSA-N 2 1 250.411 3.027 20 0 CGADMP Cc1nc([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)sc1C ZINC000923322842 626145742 /nfs/dbraw/zinc/14/57/42/626145742.db2.gz ALEZVWJXBONBKN-AWEZNQCLSA-N 2 1 293.480 3.081 20 0 CGADMP Cc1nc([C@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)sc1C ZINC000923322842 626145743 /nfs/dbraw/zinc/14/57/43/626145743.db2.gz ALEZVWJXBONBKN-AWEZNQCLSA-N 2 1 293.480 3.081 20 0 CGADMP CC(C)[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CCC1 ZINC000923377584 626149139 /nfs/dbraw/zinc/14/91/39/626149139.db2.gz VBFYDZFLBAHESN-ALOPSCKCSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923490390 626157880 /nfs/dbraw/zinc/15/78/80/626157880.db2.gz NGCRJPDWOUOYSU-PVAVHDDUSA-N 2 1 272.436 3.023 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500713 626159650 /nfs/dbraw/zinc/15/96/50/626159650.db2.gz XFGODQNYTJAXPK-FRRDWIJNSA-N 2 1 266.816 3.318 20 0 CGADMP C[C@]1(Cc2cccs2)CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923531693 626161771 /nfs/dbraw/zinc/16/17/71/626161771.db2.gz SHRQRTIUJCJYHA-GDBMZVCRSA-N 2 1 278.465 3.145 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839182746 626326473 /nfs/dbraw/zinc/32/64/73/626326473.db2.gz PMCCQXASNKEQIE-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2C)C1 ZINC000757653102 626797322 /nfs/dbraw/zinc/79/73/22/626797322.db2.gz XQPFBKIZBQPGQG-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2C)C1 ZINC000757653102 626797330 /nfs/dbraw/zinc/79/73/30/626797330.db2.gz XQPFBKIZBQPGQG-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2C)C1 ZINC000757653102 626797334 /nfs/dbraw/zinc/79/73/34/626797334.db2.gz XQPFBKIZBQPGQG-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2C)C1 ZINC000757653102 626797342 /nfs/dbraw/zinc/79/73/42/626797342.db2.gz XQPFBKIZBQPGQG-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1 ZINC000757653098 626797529 /nfs/dbraw/zinc/79/75/29/626797529.db2.gz XOWJXRHBTJTIRV-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1 ZINC000757653098 626797534 /nfs/dbraw/zinc/79/75/34/626797534.db2.gz XOWJXRHBTJTIRV-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000757653098 626797536 /nfs/dbraw/zinc/79/75/36/626797536.db2.gz XOWJXRHBTJTIRV-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000757653098 626797541 /nfs/dbraw/zinc/79/75/41/626797541.db2.gz XOWJXRHBTJTIRV-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000764882041 627231665 /nfs/dbraw/zinc/23/16/65/627231665.db2.gz BFLIQYMSZSXYBK-KDOFPFPSSA-N 2 1 270.420 3.056 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765291217 627245375 /nfs/dbraw/zinc/24/53/75/627245375.db2.gz OPTFBKWZNYSVAU-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765291217 627245377 /nfs/dbraw/zinc/24/53/77/627245377.db2.gz OPTFBKWZNYSVAU-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000765758362 627269359 /nfs/dbraw/zinc/26/93/59/627269359.db2.gz KLPCZDLGFLKPLJ-NEPJUHHUSA-N 2 1 292.814 3.227 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000775622397 628115365 /nfs/dbraw/zinc/11/53/65/628115365.db2.gz BZGONPLDYPYMIR-ZDUSSCGKSA-N 2 1 271.408 3.303 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000810245113 628244487 /nfs/dbraw/zinc/24/44/87/628244487.db2.gz RTFHZESGMWSAMN-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000810245113 628244489 /nfs/dbraw/zinc/24/44/89/628244489.db2.gz RTFHZESGMWSAMN-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC000777596260 628287800 /nfs/dbraw/zinc/28/78/00/628287800.db2.gz YWUWPDDSKRRZGY-QGZVFWFLSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC000777596260 628287806 /nfs/dbraw/zinc/28/78/06/628287806.db2.gz YWUWPDDSKRRZGY-QGZVFWFLSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC000777596260 628287809 /nfs/dbraw/zinc/28/78/09/628287809.db2.gz YWUWPDDSKRRZGY-QGZVFWFLSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777596260 628287811 /nfs/dbraw/zinc/28/78/11/628287811.db2.gz YWUWPDDSKRRZGY-QGZVFWFLSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777596260 628287817 /nfs/dbraw/zinc/28/78/17/628287817.db2.gz YWUWPDDSKRRZGY-QGZVFWFLSA-N 2 1 278.415 3.320 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000780291823 628478382 /nfs/dbraw/zinc/47/83/82/628478382.db2.gz ADNUHQMTZKDRPE-MRXNPFEDSA-N 2 1 272.436 3.133 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000780291823 628478385 /nfs/dbraw/zinc/47/83/85/628478385.db2.gz ADNUHQMTZKDRPE-MRXNPFEDSA-N 2 1 272.436 3.133 20 0 CGADMP C[N@H+](CCC[NH+]1CCCCC1)CCc1ccccc1F ZINC000781885590 628601756 /nfs/dbraw/zinc/60/17/56/628601756.db2.gz BEIMYDWGWFJZMF-UHFFFAOYSA-N 2 1 278.415 3.176 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1ccccc1F ZINC000781885590 628601759 /nfs/dbraw/zinc/60/17/59/628601759.db2.gz BEIMYDWGWFJZMF-UHFFFAOYSA-N 2 1 278.415 3.176 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000788469387 629056909 /nfs/dbraw/zinc/05/69/09/629056909.db2.gz IVEJQPMUXANJOQ-SFHVURJKSA-N 2 1 272.436 3.035 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC=C(C)CC2)cn1 ZINC000788558817 629064750 /nfs/dbraw/zinc/06/47/50/629064750.db2.gz WBBDLFSCNHUZNW-INIZCTEOSA-N 2 1 282.391 3.164 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790056559 629181016 /nfs/dbraw/zinc/18/10/16/629181016.db2.gz UTBAUVMNMXKPSY-MRXNPFEDSA-N 2 1 260.425 3.038 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790056559 629181018 /nfs/dbraw/zinc/18/10/18/629181018.db2.gz UTBAUVMNMXKPSY-MRXNPFEDSA-N 2 1 260.425 3.038 20 0 CGADMP CC(C)[N@@H+]1CCCC[C@H]1CO[NH+]=C(N)CCC(F)(F)F ZINC000863490372 629590355 /nfs/dbraw/zinc/59/03/55/629590355.db2.gz MOSOKVAYUQJCPI-NSHDSACASA-N 2 1 295.349 3.090 20 0 CGADMP CC(C)[N@H+]1CCCC[C@H]1CO[NH+]=C(N)CCC(F)(F)F ZINC000863490372 629590370 /nfs/dbraw/zinc/59/03/70/629590370.db2.gz MOSOKVAYUQJCPI-NSHDSACASA-N 2 1 295.349 3.090 20 0 CGADMP C[C@@H]([NH3+])C[N@H+](C)CCCc1cccc2ccccc21 ZINC000863570265 629606173 /nfs/dbraw/zinc/60/61/73/629606173.db2.gz UINXZVQKIIMQQM-CQSZACIVSA-N 2 1 256.393 3.051 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCc1cccc2ccccc21 ZINC000863570265 629606177 /nfs/dbraw/zinc/60/61/77/629606177.db2.gz UINXZVQKIIMQQM-CQSZACIVSA-N 2 1 256.393 3.051 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000797602917 629969320 /nfs/dbraw/zinc/96/93/20/629969320.db2.gz YMHAMHIGSUSFJS-AWEZNQCLSA-N 2 1 295.858 3.398 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000865404697 630105284 /nfs/dbraw/zinc/10/52/84/630105284.db2.gz RWFMANBMZZGOFN-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000799178279 630152843 /nfs/dbraw/zinc/15/28/43/630152843.db2.gz QYPBDWLQXFGVGR-UHFFFAOYSA-N 2 1 286.463 3.427 20 0 CGADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@]12C[C@@H]1CCCC2 ZINC000865704664 630398162 /nfs/dbraw/zinc/39/81/62/630398162.db2.gz XPOSQXCPQZFPJL-HEHGZKQESA-N 2 1 293.480 3.263 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)oc1C ZINC000809757540 630800696 /nfs/dbraw/zinc/80/06/96/630800696.db2.gz TVJODCVLBKPIGJ-UHFFFAOYSA-N 2 1 252.402 3.060 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)oc1C ZINC000809757540 630800699 /nfs/dbraw/zinc/80/06/99/630800699.db2.gz TVJODCVLBKPIGJ-UHFFFAOYSA-N 2 1 252.402 3.060 20 0 CGADMP C[C@H](Nc1cc(C2CC2)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000810258620 630861305 /nfs/dbraw/zinc/86/13/05/630861305.db2.gz SOEMIUSSNWQRHD-LBPRGKRZSA-N 2 1 259.397 3.101 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCc4ccccc43)C2)C1 ZINC000815145152 631729810 /nfs/dbraw/zinc/72/98/10/631729810.db2.gz OJSOIOOSWZDSFF-PKOBYXMFSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCc4ccccc43)C2)C1 ZINC000815145152 631729812 /nfs/dbraw/zinc/72/98/12/631729812.db2.gz OJSOIOOSWZDSFF-PKOBYXMFSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCc4ccccc43)C2)C1 ZINC000815145152 631729818 /nfs/dbraw/zinc/72/98/18/631729818.db2.gz OJSOIOOSWZDSFF-PKOBYXMFSA-N 2 1 284.447 3.134 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000815601055 631804874 /nfs/dbraw/zinc/80/48/74/631804874.db2.gz MGYYEOSAZBZSNL-ZDUSSCGKSA-N 2 1 262.372 3.047 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000817888410 632229320 /nfs/dbraw/zinc/22/93/20/632229320.db2.gz LINOHRWKXUWDCM-IRXDYDNUSA-N 2 1 276.424 3.223 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)CCO2 ZINC000817957784 632252422 /nfs/dbraw/zinc/25/24/22/632252422.db2.gz DWJIUOHNWOSQDT-DYVFJYSZSA-N 2 1 288.435 3.180 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc2c(c1)CCCO2 ZINC000817958391 632253656 /nfs/dbraw/zinc/25/36/56/632253656.db2.gz JFPQNCCJRRRFMP-HZPDHXFCSA-N 2 1 276.424 3.036 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000818330594 632307257 /nfs/dbraw/zinc/30/72/57/632307257.db2.gz BZERCDILWSEMKU-NWDGAFQWSA-N 2 1 279.255 3.068 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2(O)CCCCC2)C1 ZINC000818961804 632356885 /nfs/dbraw/zinc/35/68/85/632356885.db2.gz ULZGBBHICKTKBY-CALCHBBNSA-N 2 1 296.499 3.029 20 0 CGADMP Cc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)s1 ZINC000820812442 632681363 /nfs/dbraw/zinc/68/13/63/632681363.db2.gz LAEKGLMPEVJUSE-LQDVMPOASA-N 2 1 291.464 3.007 20 0 CGADMP Cc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000820812442 632681366 /nfs/dbraw/zinc/68/13/66/632681366.db2.gz LAEKGLMPEVJUSE-LQDVMPOASA-N 2 1 291.464 3.007 20 0 CGADMP C([NH2+]C[C@@H]1CCSC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865804788 632894553 /nfs/dbraw/zinc/89/45/53/632894553.db2.gz HXPPVTOCUPIVCL-GOEBONIOSA-N 2 1 282.497 3.126 20 0 CGADMP C([NH2+]C[C@@H]1CCSC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000865804788 632894557 /nfs/dbraw/zinc/89/45/57/632894557.db2.gz HXPPVTOCUPIVCL-GOEBONIOSA-N 2 1 282.497 3.126 20 0 CGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865829599 632904194 /nfs/dbraw/zinc/90/41/94/632904194.db2.gz CWHZHMSTOWYKLX-IGQOVBAYSA-N 2 1 288.357 3.100 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663654 633001822 /nfs/dbraw/zinc/00/18/22/633001822.db2.gz GWSPJGMOKBEYQU-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663654 633001826 /nfs/dbraw/zinc/00/18/26/633001826.db2.gz GWSPJGMOKBEYQU-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663654 633001827 /nfs/dbraw/zinc/00/18/27/633001827.db2.gz GWSPJGMOKBEYQU-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663654 633001833 /nfs/dbraw/zinc/00/18/33/633001833.db2.gz GWSPJGMOKBEYQU-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663654 633001837 /nfs/dbraw/zinc/00/18/37/633001837.db2.gz GWSPJGMOKBEYQU-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP Fc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000866229217 633036367 /nfs/dbraw/zinc/03/63/67/633036367.db2.gz ONBPDMFJWVYMHM-FZKQIMNGSA-N 2 1 288.410 3.277 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)CCc1cccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000866233650 633038063 /nfs/dbraw/zinc/03/80/63/633038063.db2.gz XSIILSQVZHQAFR-IXDOHACOSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)CCc1cccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000866233650 633038070 /nfs/dbraw/zinc/03/80/70/633038070.db2.gz XSIILSQVZHQAFR-IXDOHACOSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866243059 633041810 /nfs/dbraw/zinc/04/18/10/633041810.db2.gz FQDNOAHAJHDRNK-IXDOHACOSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866243059 633041811 /nfs/dbraw/zinc/04/18/11/633041811.db2.gz FQDNOAHAJHDRNK-IXDOHACOSA-N 2 1 289.467 3.113 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866584159 633203477 /nfs/dbraw/zinc/20/34/77/633203477.db2.gz NAYCBOTYGTZYQY-GVDBMIGSSA-N 2 1 258.409 3.164 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584159 633203483 /nfs/dbraw/zinc/20/34/83/633203483.db2.gz NAYCBOTYGTZYQY-GVDBMIGSSA-N 2 1 258.409 3.164 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584159 633203485 /nfs/dbraw/zinc/20/34/85/633203485.db2.gz NAYCBOTYGTZYQY-GVDBMIGSSA-N 2 1 258.409 3.164 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCOc2ccccc2)C1 ZINC000866705129 633234102 /nfs/dbraw/zinc/23/41/02/633234102.db2.gz UFAWTWSMERRTFF-SFHVURJKSA-N 2 1 290.451 3.152 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCc2ccsc2)C1 ZINC000866707401 633234650 /nfs/dbraw/zinc/23/46/50/633234650.db2.gz NSXDWYMKDKAZAH-MRXNPFEDSA-N 2 1 280.481 3.378 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCc1cnccc1C ZINC000827722218 633512493 /nfs/dbraw/zinc/51/24/93/633512493.db2.gz CTXGEAYMMFFCES-UHFFFAOYSA-N 2 1 277.456 3.033 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCc1cnccc1C ZINC000827722218 633512496 /nfs/dbraw/zinc/51/24/96/633512496.db2.gz CTXGEAYMMFFCES-UHFFFAOYSA-N 2 1 277.456 3.033 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000872026273 633946265 /nfs/dbraw/zinc/94/62/65/633946265.db2.gz ZZOIPTPDPMDCTD-JHJVBQTASA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+](CC)C(C)C ZINC000872031499 633950570 /nfs/dbraw/zinc/95/05/70/633950570.db2.gz PQDOOQNMAGNKMU-LBPRGKRZSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+](CC)C(C)C ZINC000872031499 633950572 /nfs/dbraw/zinc/95/05/72/633950572.db2.gz PQDOOQNMAGNKMU-LBPRGKRZSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000872087294 634013355 /nfs/dbraw/zinc/01/33/55/634013355.db2.gz IEQBEYMEYDLUJH-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000872146839 634065555 /nfs/dbraw/zinc/06/55/55/634065555.db2.gz YYPWRECIHGXGCM-HNNXBMFYSA-N 2 1 298.352 3.107 20 0 CGADMP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc(N)c2)CC1 ZINC000872146703 634065707 /nfs/dbraw/zinc/06/57/07/634065707.db2.gz VPGLLVMSHQXYTH-UHFFFAOYSA-N 2 1 287.451 3.109 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156414 634068018 /nfs/dbraw/zinc/06/80/18/634068018.db2.gz JFBMDKHGBPCXJI-AEFFLSMTSA-N 3 1 295.515 3.125 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000873223587 634290777 /nfs/dbraw/zinc/29/07/77/634290777.db2.gz OMDIKPNKYCHBRZ-LJQANCHMSA-N 2 1 297.446 3.432 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1)C1CCCC1 ZINC000873232134 634294188 /nfs/dbraw/zinc/29/41/88/634294188.db2.gz LDOOKYXPTSTTIR-JFIYKMOQSA-N 2 1 294.483 3.033 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1)C1CCCC1 ZINC000873232136 634294559 /nfs/dbraw/zinc/29/45/59/634294559.db2.gz LDOOKYXPTSTTIR-SOLBZPMBSA-N 2 1 294.483 3.033 20 0 CGADMP C[C@H]([NH2+]CC1CCC2(CC2)CC1)c1c[nH+]ccc1N ZINC000873243656 634298402 /nfs/dbraw/zinc/29/84/02/634298402.db2.gz ZRBWHXCVYOFDFV-LBPRGKRZSA-N 2 1 259.397 3.115 20 0 CGADMP CSC(C)(C)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877497066 635061209 /nfs/dbraw/zinc/06/12/09/635061209.db2.gz DKOLJFIXHDMANP-UHFFFAOYSA-N 2 1 284.513 3.326 20 0 CGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000877539937 635079134 /nfs/dbraw/zinc/07/91/34/635079134.db2.gz QQLNCDVNPOUQEX-CKFHNAJUSA-N 2 1 292.404 3.028 20 0 CGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000877539937 635079131 /nfs/dbraw/zinc/07/91/31/635079131.db2.gz QQLNCDVNPOUQEX-CKFHNAJUSA-N 2 1 292.404 3.028 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cncc2ccccc21)C1CCCCC1 ZINC000841039202 635112306 /nfs/dbraw/zinc/11/23/06/635112306.db2.gz FGYVCIKRQDDWIB-SFHVURJKSA-N 2 1 283.419 3.232 20 0 CGADMP C=C/C=C/CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000878048073 635336834 /nfs/dbraw/zinc/33/68/34/635336834.db2.gz OBDITTNEFTUWKS-VOTSOKGWSA-N 2 1 250.430 3.171 20 0 CGADMP C[NH+](CCCSC(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000878124402 635369183 /nfs/dbraw/zinc/36/91/83/635369183.db2.gz HKGNIZYRXVDJNY-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP C[NH+](CCCSC(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878124402 635369186 /nfs/dbraw/zinc/36/91/86/635369186.db2.gz HKGNIZYRXVDJNY-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1F ZINC000842472765 635377646 /nfs/dbraw/zinc/37/76/46/635377646.db2.gz KDZGNCBDKGLEOK-WBMJQRKESA-N 2 1 280.362 3.101 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC000878159381 635385860 /nfs/dbraw/zinc/38/58/60/635385860.db2.gz KLDOBBUCESQFBF-OAHLLOKOSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878159381 635385872 /nfs/dbraw/zinc/38/58/72/635385872.db2.gz KLDOBBUCESQFBF-OAHLLOKOSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878159381 635385881 /nfs/dbraw/zinc/38/58/81/635385881.db2.gz KLDOBBUCESQFBF-OAHLLOKOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC000878166737 635392106 /nfs/dbraw/zinc/39/21/06/635392106.db2.gz DJSDKOKJSAFDBZ-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878166737 635392112 /nfs/dbraw/zinc/39/21/12/635392112.db2.gz DJSDKOKJSAFDBZ-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878166737 635392116 /nfs/dbraw/zinc/39/21/16/635392116.db2.gz DJSDKOKJSAFDBZ-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC(C)(C)OC2(C)C)[C@H](C)C1 ZINC000878258240 635435392 /nfs/dbraw/zinc/43/53/92/635435392.db2.gz MVWIMGYRNMHFMI-OAGGEKHMSA-N 2 1 296.499 3.242 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC(C)(C)OC2(C)C)[C@H](C)C1 ZINC000878258240 635435397 /nfs/dbraw/zinc/43/53/97/635435397.db2.gz MVWIMGYRNMHFMI-OAGGEKHMSA-N 2 1 296.499 3.242 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC(C)(C)OC2(C)C)[C@H](C)C1 ZINC000878258240 635435411 /nfs/dbraw/zinc/43/54/11/635435411.db2.gz MVWIMGYRNMHFMI-OAGGEKHMSA-N 2 1 296.499 3.242 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(-c2ccccc2)no1 ZINC000843360857 635654045 /nfs/dbraw/zinc/65/40/45/635654045.db2.gz JZBZYDBFCMCHKQ-MQVJKMGUSA-N 2 1 297.402 3.186 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccccc2)no1 ZINC000843360857 635654049 /nfs/dbraw/zinc/65/40/49/635654049.db2.gz JZBZYDBFCMCHKQ-MQVJKMGUSA-N 2 1 297.402 3.186 20 0 CGADMP FC(F)(F)c1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000843358216 635654134 /nfs/dbraw/zinc/65/41/34/635654134.db2.gz DJNZGNYQKZDIHC-SWLSCSKDSA-N 2 1 298.352 3.452 20 0 CGADMP FC(F)(F)c1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000843358216 635654136 /nfs/dbraw/zinc/65/41/36/635654136.db2.gz DJNZGNYQKZDIHC-SWLSCSKDSA-N 2 1 298.352 3.452 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000880201195 635935442 /nfs/dbraw/zinc/93/54/42/635935442.db2.gz HOJHVTTYGYNVPF-RDJZCZTQSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000880201195 635935445 /nfs/dbraw/zinc/93/54/45/635935445.db2.gz HOJHVTTYGYNVPF-RDJZCZTQSA-N 2 1 296.499 3.292 20 0 CGADMP FC[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](CF)C2)C1 ZINC000880236147 635946565 /nfs/dbraw/zinc/94/65/65/635946565.db2.gz WISFDBNPFRWLEL-HZPDHXFCSA-N 2 1 288.426 3.130 20 0 CGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1coc(C2CC2)n1 ZINC000880516995 636013514 /nfs/dbraw/zinc/01/35/14/636013514.db2.gz HMBBJFKDNPZIHT-UHFFFAOYSA-N 2 1 291.439 3.250 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1coc(C2CC2)n1 ZINC000880516995 636013517 /nfs/dbraw/zinc/01/35/17/636013517.db2.gz HMBBJFKDNPZIHT-UHFFFAOYSA-N 2 1 291.439 3.250 20 0 CGADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846219688 636161904 /nfs/dbraw/zinc/16/19/04/636161904.db2.gz VVYSTBKAWOSCCK-CYBMUJFWSA-N 2 1 264.388 3.264 20 0 CGADMP CCCOc1ccc2c(c1)CC[N@H+](CCCCCC[NH3+])C2 ZINC000846220114 636162200 /nfs/dbraw/zinc/16/22/00/636162200.db2.gz CABUBVQLCBTRPR-UHFFFAOYSA-N 2 1 290.451 3.353 20 0 CGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC000846220644 636162927 /nfs/dbraw/zinc/16/29/27/636162927.db2.gz STFQPVOWKCRQRK-YIGKEOEDSA-N 2 1 292.854 3.411 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130211219 636433252 /nfs/dbraw/zinc/43/32/52/636433252.db2.gz SLWLGEPBTCFEQE-FVQBIDKESA-N 2 1 292.854 3.487 20 0 CGADMP CC(C)c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000848528310 636590198 /nfs/dbraw/zinc/59/01/98/636590198.db2.gz KWUMCQVKHJXMDT-HNNXBMFYSA-N 2 1 272.436 3.384 20 0 CGADMP CC(C)c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000848536997 636594941 /nfs/dbraw/zinc/59/49/41/636594941.db2.gz ZFZPPVCQBCNDEM-HNNXBMFYSA-N 2 1 260.425 3.241 20 0 CGADMP C([NH2+][C@H]1CCCC2(CC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000883237720 636606402 /nfs/dbraw/zinc/60/64/02/636606402.db2.gz IPIAVJGLDHYHOS-SJORKVTESA-N 2 1 276.468 3.421 20 0 CGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[N@H+](C)C2CC2)cc1 ZINC000848997473 636709306 /nfs/dbraw/zinc/70/93/06/636709306.db2.gz KJLRUAIUTDTDHH-CYBMUJFWSA-N 2 1 288.439 3.231 20 0 CGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CC2)cc1 ZINC000848997473 636709308 /nfs/dbraw/zinc/70/93/08/636709308.db2.gz KJLRUAIUTDTDHH-CYBMUJFWSA-N 2 1 288.439 3.231 20 0 CGADMP Cc1cccc(NC(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000849023054 636719425 /nfs/dbraw/zinc/71/94/25/636719425.db2.gz HZWACSTZXBKOMJ-UHFFFAOYSA-N 2 1 288.439 3.053 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C=CCC1 ZINC000850511645 637097347 /nfs/dbraw/zinc/09/73/47/637097347.db2.gz KJXIGOINNDEGLC-BPQIPLTHSA-N 2 1 270.420 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C=CCC1 ZINC000850511645 637097349 /nfs/dbraw/zinc/09/73/49/637097349.db2.gz KJXIGOINNDEGLC-BPQIPLTHSA-N 2 1 270.420 3.205 20 0 CGADMP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000850541981 637114417 /nfs/dbraw/zinc/11/44/17/637114417.db2.gz FXDWJTISHNVRFT-HNAYVOBHSA-N 2 1 299.462 3.009 20 0 CGADMP Fc1cccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000885924442 637314898 /nfs/dbraw/zinc/31/48/98/637314898.db2.gz QQRXYYKEDFQLAZ-QRLKCUHJSA-N 2 1 274.383 3.055 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1C ZINC000886033545 637377968 /nfs/dbraw/zinc/37/79/68/637377968.db2.gz WSJDEHMXZSMCBN-ULQDDVLXSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1C ZINC000886033545 637377974 /nfs/dbraw/zinc/37/79/74/637377974.db2.gz WSJDEHMXZSMCBN-ULQDDVLXSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1C ZINC000886033545 637377980 /nfs/dbraw/zinc/37/79/80/637377980.db2.gz WSJDEHMXZSMCBN-ULQDDVLXSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1coc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000886059314 637394042 /nfs/dbraw/zinc/39/40/42/637394042.db2.gz AEJBTJHWYFRWRH-CABCVRRESA-N 2 1 276.424 3.331 20 0 CGADMP Cc1coc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000886059314 637394045 /nfs/dbraw/zinc/39/40/45/637394045.db2.gz AEJBTJHWYFRWRH-CABCVRRESA-N 2 1 276.424 3.331 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886153418 637438457 /nfs/dbraw/zinc/43/84/57/637438457.db2.gz GDGZCKHQSRGHBH-QGZVFWFLSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccnc32)c1 ZINC000886522403 637551126 /nfs/dbraw/zinc/55/11/26/637551126.db2.gz IKMQKRYYIPUOTM-SFHVURJKSA-N 2 1 295.430 3.310 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000852007519 637570447 /nfs/dbraw/zinc/57/04/47/637570447.db2.gz OHFRWLSGVLNTIT-CQSZACIVSA-N 2 1 288.426 3.476 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCCOC(C)C)CC2)[nH+]c1C ZINC000886666535 637641835 /nfs/dbraw/zinc/64/18/35/637641835.db2.gz UYFYIZKFODTXTN-UHFFFAOYSA-N 2 1 279.428 3.021 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000886719897 637671424 /nfs/dbraw/zinc/67/14/24/637671424.db2.gz LGZBFMPMCJLDEX-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746263 637705122 /nfs/dbraw/zinc/70/51/22/637705122.db2.gz HMPSEUJGVRDFOP-QGZVFWFLSA-N 2 1 284.447 3.182 20 0 CGADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852761656 637708430 /nfs/dbraw/zinc/70/84/30/637708430.db2.gz YYTIPMHRRPJNBJ-SFHVURJKSA-N 2 1 289.467 3.106 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)CCCO2 ZINC000852782012 637711330 /nfs/dbraw/zinc/71/13/30/637711330.db2.gz XRTDERJCXIGGQG-AWEZNQCLSA-N 2 1 299.418 3.029 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886841657 637714079 /nfs/dbraw/zinc/71/40/79/637714079.db2.gz RNASJQKUZCSANI-MAUKXSAKSA-N 2 1 294.483 3.033 20 0 CGADMP c1cc(CCC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000886874247 637715640 /nfs/dbraw/zinc/71/56/40/637715640.db2.gz KAQMTUXCDBKOAI-INIZCTEOSA-N 2 1 278.465 3.146 20 0 CGADMP CCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(C)o1 ZINC000886882376 637717367 /nfs/dbraw/zinc/71/73/67/637717367.db2.gz PBDFKYMXIURCLG-LSDHHAIUSA-N 2 1 264.413 3.361 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000300328868 637832451 /nfs/dbraw/zinc/83/24/51/637832451.db2.gz QCIAUTOMASVKKK-XSLAGTTESA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000300328868 637832459 /nfs/dbraw/zinc/83/24/59/637832459.db2.gz QCIAUTOMASVKKK-XSLAGTTESA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000924570793 638364716 /nfs/dbraw/zinc/36/47/16/638364716.db2.gz CEMOMROEOVSRPH-FGTMMUONSA-N 2 1 296.499 3.172 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccnnc1 ZINC000924659653 638385373 /nfs/dbraw/zinc/38/53/73/638385373.db2.gz WCRHRZOINKRLKF-HNNXBMFYSA-N 2 1 298.434 3.168 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924682824 638387967 /nfs/dbraw/zinc/38/79/67/638387967.db2.gz DSBYYKLOVRQYDD-DJSILETISA-N 2 1 296.524 3.371 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000924738625 638396835 /nfs/dbraw/zinc/39/68/35/638396835.db2.gz NDGNQMYFNUPGGV-RYRKJORJSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccns1 ZINC000925085476 638448476 /nfs/dbraw/zinc/44/84/76/638448476.db2.gz HRWUVCJVOUYTLT-WCQYABFASA-N 2 1 269.458 3.160 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OC)n1 ZINC000925221614 638478783 /nfs/dbraw/zinc/47/87/83/638478783.db2.gz NKOIPPREKLQYAE-KKUMJFAQSA-N 2 1 291.439 3.004 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000925627635 638548827 /nfs/dbraw/zinc/54/88/27/638548827.db2.gz XDQXAIJOPAHHKM-HJWJTTGWSA-N 2 1 290.451 3.258 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925711513 638576837 /nfs/dbraw/zinc/57/68/37/638576837.db2.gz NPLYIJOLLJRIOH-GVDBMIGSSA-N 2 1 270.420 3.115 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1CCC(F)CC1)c1ccccc1 ZINC000925714579 638577740 /nfs/dbraw/zinc/57/77/40/638577740.db2.gz ZWVYSAJQTKXLTM-XCAIRMDXSA-N 2 1 264.388 3.193 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1CCC(F)CC1)c1ccccc1 ZINC000925714577 638578040 /nfs/dbraw/zinc/57/80/40/638578040.db2.gz ZWVYSAJQTKXLTM-FKFRUQKQSA-N 2 1 264.388 3.193 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000857853539 638578474 /nfs/dbraw/zinc/57/84/74/638578474.db2.gz STIOBAWTDINFAG-KRWDZBQOSA-N 2 1 298.434 3.029 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000857853539 638578490 /nfs/dbraw/zinc/57/84/90/638578490.db2.gz STIOBAWTDINFAG-KRWDZBQOSA-N 2 1 298.434 3.029 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000857853539 638578494 /nfs/dbraw/zinc/57/84/94/638578494.db2.gz STIOBAWTDINFAG-KRWDZBQOSA-N 2 1 298.434 3.029 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925720824 638581037 /nfs/dbraw/zinc/58/10/37/638581037.db2.gz UVPRWTJFCPVWAT-LUKYLMHMSA-N 2 1 282.472 3.090 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917278 638604370 /nfs/dbraw/zinc/60/43/70/638604370.db2.gz UQPKIXDXGFTNQR-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917278 638604374 /nfs/dbraw/zinc/60/43/74/638604374.db2.gz UQPKIXDXGFTNQR-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)o1 ZINC000925841183 638630317 /nfs/dbraw/zinc/63/03/17/638630317.db2.gz HKEOZWYKOYHDIH-DAXOMENPSA-N 2 1 262.397 3.025 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844080 638630754 /nfs/dbraw/zinc/63/07/54/638630754.db2.gz VNCGZUKKVXDKOL-BMGDILEWSA-N 2 1 288.435 3.186 20 0 CGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(F)ccc1F ZINC000925844577 638631721 /nfs/dbraw/zinc/63/17/21/638631721.db2.gz YBPRJVJZLSKRFM-HFBAOOFYSA-N 2 1 280.362 3.148 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926635544 638792857 /nfs/dbraw/zinc/79/28/57/638792857.db2.gz OMUZDIVFHNCEER-PHAGKYIGSA-N 2 1 286.463 3.356 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000929687181 638940876 /nfs/dbraw/zinc/94/08/76/638940876.db2.gz LCXCPPRBNVJFTO-MLHJIOFPSA-N 2 1 294.483 3.140 20 0 CGADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C[C@@H]21 ZINC000929689137 638941383 /nfs/dbraw/zinc/94/13/83/638941383.db2.gz VWNFEOYDUHCHJC-FPCVCCKLSA-N 2 1 298.421 3.228 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780140 638950047 /nfs/dbraw/zinc/95/00/47/638950047.db2.gz LCGXGIKBCCPBTB-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780140 638950049 /nfs/dbraw/zinc/95/00/49/638950049.db2.gz LCGXGIKBCCPBTB-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780140 638950051 /nfs/dbraw/zinc/95/00/51/638950051.db2.gz LCGXGIKBCCPBTB-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC(C)(F)F)C1 ZINC000929781192 638950402 /nfs/dbraw/zinc/95/04/02/638950402.db2.gz UFTPULQMUIIZNC-CYBMUJFWSA-N 2 1 262.388 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC(C)(F)F)C1 ZINC000929781192 638950404 /nfs/dbraw/zinc/95/04/04/638950404.db2.gz UFTPULQMUIIZNC-CYBMUJFWSA-N 2 1 262.388 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000929781192 638950407 /nfs/dbraw/zinc/95/04/07/638950407.db2.gz UFTPULQMUIIZNC-CYBMUJFWSA-N 2 1 262.388 3.086 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C)([NH+](C)C)CC2)c(C)c1 ZINC000931353474 639138485 /nfs/dbraw/zinc/13/84/85/639138485.db2.gz CUJQGCVPNJGHQO-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000931350447 639138789 /nfs/dbraw/zinc/13/87/89/639138789.db2.gz KWTDYNUSNFKTMD-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000931350904 639138877 /nfs/dbraw/zinc/13/88/77/639138877.db2.gz CAUMFMBWQXHNMR-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP CCSc1ccccc1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931545444 639167642 /nfs/dbraw/zinc/16/76/42/639167642.db2.gz DWOMEPDXANFDMQ-GDBMZVCRSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000931545444 639167646 /nfs/dbraw/zinc/16/76/46/639167646.db2.gz DWOMEPDXANFDMQ-GDBMZVCRSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000931545444 639167651 /nfs/dbraw/zinc/16/76/51/639167651.db2.gz DWOMEPDXANFDMQ-GDBMZVCRSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931545444 639167656 /nfs/dbraw/zinc/16/76/56/639167656.db2.gz DWOMEPDXANFDMQ-GDBMZVCRSA-N 2 1 290.476 3.325 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931545444 639167661 /nfs/dbraw/zinc/16/76/61/639167661.db2.gz DWOMEPDXANFDMQ-GDBMZVCRSA-N 2 1 290.476 3.325 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000420411743 640911412 /nfs/dbraw/zinc/91/14/12/640911412.db2.gz YBKFFKAMYKDOKI-BZUAXINKSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000420411743 640911415 /nfs/dbraw/zinc/91/14/15/640911415.db2.gz YBKFFKAMYKDOKI-BZUAXINKSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cn2cc(Nc3ccc4c[nH+]cn4c3)ccc2[nH+]1 ZINC001250328912 805574265 /nfs/dbraw/zinc/57/42/65/805574265.db2.gz BBCSWNSTERAYAZ-UHFFFAOYSA-N 2 1 263.304 3.034 20 0 CGADMP CC[N@H+](Cc1cccs1)C1CC[NH+](C(C)C)CC1 ZINC001257221636 807064709 /nfs/dbraw/zinc/06/47/09/807064709.db2.gz ATJUOEVCQWGBDN-UHFFFAOYSA-N 2 1 266.454 3.443 20 0 CGADMP CC[N@@H+](Cc1cccs1)C1CC[NH+](C(C)C)CC1 ZINC001257221636 807064717 /nfs/dbraw/zinc/06/47/17/807064717.db2.gz ATJUOEVCQWGBDN-UHFFFAOYSA-N 2 1 266.454 3.443 20 0 CGADMP CCSc1ccnc(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001156385897 805681435 /nfs/dbraw/zinc/68/14/35/805681435.db2.gz LUDVLSGOZSCLAR-CYBMUJFWSA-N 2 1 279.453 3.337 20 0 CGADMP CCCc1cc(NCC2CC[NH+](C(C)C)CC2)nc(C)[nH+]1 ZINC001156501219 805704906 /nfs/dbraw/zinc/70/49/06/805704906.db2.gz FTEWLSZRRVBTAX-UHFFFAOYSA-N 2 1 290.455 3.270 20 0 CGADMP CC1(Nc2[nH+]cnc3c2ccn3C2CCCC2)CC[NH2+]CC1 ZINC001157401928 805807590 /nfs/dbraw/zinc/80/75/90/805807590.db2.gz YIEGEDUESJAPIT-UHFFFAOYSA-N 2 1 299.422 3.100 20 0 CGADMP Cc1ccc(C)c(Nc2cccc3c2CC[NH2+]C3)[nH+]1 ZINC001159230500 806063356 /nfs/dbraw/zinc/06/33/56/806063356.db2.gz SJWVMPZSRVUJCU-UHFFFAOYSA-N 2 1 253.349 3.088 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=C[NH2+]CCC2)c(C)c1 ZINC001159657009 806142380 /nfs/dbraw/zinc/14/23/80/806142380.db2.gz LAKDBVLCNOCVSR-UHFFFAOYSA-N 2 1 259.397 3.478 20 0 CGADMP Cc1cc(Nc2ccc(CC3CC[NH2+]CC3)cc2)c[nH+]c1N ZINC001160020461 806214551 /nfs/dbraw/zinc/21/45/51/806214551.db2.gz ZUAXLCLNAGKJFG-UHFFFAOYSA-N 2 1 296.418 3.258 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254449467 806403882 /nfs/dbraw/zinc/40/38/82/806403882.db2.gz OETMXDVZNRPNJM-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCc3ccccc3CC2)CC1 ZINC001254462719 806411352 /nfs/dbraw/zinc/41/13/52/806411352.db2.gz GVYWGMKJRMAABC-UHFFFAOYSA-N 2 1 298.474 3.493 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3sccc3c2)CC1 ZINC001254506044 806425183 /nfs/dbraw/zinc/42/51/83/806425183.db2.gz OCJPFIKBXSRCKJ-OAHLLOKOSA-N 2 1 274.433 3.475 20 0 CGADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])C2CCCCCC2)CC1 ZINC001254505442 806426051 /nfs/dbraw/zinc/42/60/51/806426051.db2.gz FZMMHEXDOKFWHT-CQSZACIVSA-N 2 1 251.418 3.008 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507334 806426849 /nfs/dbraw/zinc/42/68/49/806426849.db2.gz AUXFWXVFFMKHRP-CZUORRHYSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507334 806426855 /nfs/dbraw/zinc/42/68/55/806426855.db2.gz AUXFWXVFFMKHRP-CZUORRHYSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001254506700 806429009 /nfs/dbraw/zinc/42/90/09/806429009.db2.gz XPMQAFRKXKHELV-XHSDSOJGSA-N 2 1 278.827 3.270 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)CCC2 ZINC001254513657 806434793 /nfs/dbraw/zinc/43/47/93/806434793.db2.gz FOGBANQJIHSURO-AEFFLSMTSA-N 2 1 272.436 3.446 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)Cc2ccccc21 ZINC001254516140 806436396 /nfs/dbraw/zinc/43/63/96/806436396.db2.gz IWSUNDKMWVMQGC-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)Cc2ccccc21 ZINC001254516140 806436400 /nfs/dbraw/zinc/43/64/00/806436400.db2.gz IWSUNDKMWVMQGC-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)Cc2ccccc21 ZINC001254516140 806436401 /nfs/dbraw/zinc/43/64/01/806436401.db2.gz IWSUNDKMWVMQGC-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254522122 806438041 /nfs/dbraw/zinc/43/80/41/806438041.db2.gz CJBZPOSNXDOEBN-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522122 806438043 /nfs/dbraw/zinc/43/80/43/806438043.db2.gz CJBZPOSNXDOEBN-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522122 806438046 /nfs/dbraw/zinc/43/80/46/806438046.db2.gz CJBZPOSNXDOEBN-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001254524908 806438792 /nfs/dbraw/zinc/43/87/92/806438792.db2.gz DQKRDKCGJVWXBM-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001254524908 806438801 /nfs/dbraw/zinc/43/88/01/806438801.db2.gz DQKRDKCGJVWXBM-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001254524908 806438810 /nfs/dbraw/zinc/43/88/10/806438810.db2.gz DQKRDKCGJVWXBM-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1Cc2ccccc2C1 ZINC001255014603 806525431 /nfs/dbraw/zinc/52/54/31/806525431.db2.gz BCULACMGHQBFKQ-MRXNPFEDSA-N 2 1 294.442 3.251 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1Cc2ccccc2C1 ZINC001255027267 806530026 /nfs/dbraw/zinc/53/00/26/806530026.db2.gz OHQWYXHPLDXVTH-RBUKOAKNSA-N 2 1 298.474 3.493 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1Cc2ccccc2C1 ZINC001255027267 806530028 /nfs/dbraw/zinc/53/00/28/806530028.db2.gz OHQWYXHPLDXVTH-RBUKOAKNSA-N 2 1 298.474 3.493 20 0 CGADMP Cc1[nH+]c2ccc(NC[C@H]3C[NH2+][C@H](C)C3)cc2n1C(C)C ZINC001162556666 806617982 /nfs/dbraw/zinc/61/79/82/806617982.db2.gz PVLQHZLGSJCRIA-TZMCWYRMSA-N 2 1 286.423 3.336 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CCC3)CC2)cc1 ZINC001255382824 806630402 /nfs/dbraw/zinc/63/04/02/806630402.db2.gz XFXSSFCAINVQPD-GOSISDBHSA-N 2 1 272.436 3.431 20 0 CGADMP FC[C@H]1CCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408902 806634627 /nfs/dbraw/zinc/63/46/27/806634627.db2.gz FAGWXRKNNZLKKP-QZTJIDSGSA-N 2 1 290.426 3.475 20 0 CGADMP FC[C@H]1CCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408902 806634632 /nfs/dbraw/zinc/63/46/32/806634632.db2.gz FAGWXRKNNZLKKP-QZTJIDSGSA-N 2 1 290.426 3.475 20 0 CGADMP FC[C@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408902 806634636 /nfs/dbraw/zinc/63/46/36/806634636.db2.gz FAGWXRKNNZLKKP-QZTJIDSGSA-N 2 1 290.426 3.475 20 0 CGADMP COc1ccc2[nH+]c(C)cc(NC(=[NH2+])C(C)(C)C)c2c1 ZINC001162664890 806644008 /nfs/dbraw/zinc/64/40/08/806644008.db2.gz VCUOJYBQLWEDTD-UHFFFAOYSA-N 2 1 271.364 3.409 20 0 CGADMP C[N@H+]1CCC[C@@H](n2c(C[NH3+])cc3cc(Cl)ccc32)C1 ZINC001255467969 806646291 /nfs/dbraw/zinc/64/62/91/806646291.db2.gz MXEOPPVMUYENSY-CYBMUJFWSA-N 2 1 277.799 3.020 20 0 CGADMP C[N@H+]1CCC[C@@H](n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001255488076 806650907 /nfs/dbraw/zinc/65/09/07/806650907.db2.gz XNDQHIBGXZGGKO-CVEARBPZSA-N 2 1 283.419 3.333 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC001255533232 806665736 /nfs/dbraw/zinc/66/57/36/806665736.db2.gz XQBKZVCSIZWMGV-NVXWUHKLSA-N 2 1 290.451 3.041 20 0 CGADMP CC1(C)C[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001255536437 806668057 /nfs/dbraw/zinc/66/80/57/806668057.db2.gz JFCISZVMJKJDDW-DJIMGWMZSA-N 2 1 294.483 3.459 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000037644548 798871339 /nfs/dbraw/zinc/87/13/39/798871339.db2.gz IOVWQIVQYIKREU-INIZCTEOSA-N 2 1 260.425 3.043 20 0 CGADMP CCCC1CCC([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000037644253 798871567 /nfs/dbraw/zinc/87/15/67/798871567.db2.gz AUBICOWGZBZSQS-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817624 798945691 /nfs/dbraw/zinc/94/56/91/798945691.db2.gz PDILTVOZWCWWBN-UKRRQHHQSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817623 798946048 /nfs/dbraw/zinc/94/60/48/798946048.db2.gz PDILTVOZWCWWBN-DZGCQCFKSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@H]1CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001255681542 806703841 /nfs/dbraw/zinc/70/38/41/806703841.db2.gz WRXDMJCKWKYFTL-WDFJATGCSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001255681542 806703845 /nfs/dbraw/zinc/70/38/45/806703845.db2.gz WRXDMJCKWKYFTL-WDFJATGCSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC001255681542 806703848 /nfs/dbraw/zinc/70/38/48/806703848.db2.gz WRXDMJCKWKYFTL-WDFJATGCSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC001255681542 806703852 /nfs/dbraw/zinc/70/38/52/806703852.db2.gz WRXDMJCKWKYFTL-WDFJATGCSA-N 2 1 250.430 3.122 20 0 CGADMP C1C[C@H]2C[C@H]([NH2+]C3CCCCCCC3)CC[N@H+]2C1 ZINC000223484992 799136345 /nfs/dbraw/zinc/13/63/45/799136345.db2.gz BZKYCQUXAMZQDQ-CVEARBPZSA-N 2 1 250.430 3.316 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001255733405 806725184 /nfs/dbraw/zinc/72/51/84/806725184.db2.gz RPRWHXMFPOTQIK-KGLIPLIRSA-N 2 1 296.455 3.238 20 0 CGADMP COC(=[NH2+])c1cccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001163219102 806726148 /nfs/dbraw/zinc/72/61/48/806726148.db2.gz PQGBWLKLYLNPFT-SJORKVTESA-N 2 1 295.386 3.173 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001255736502 806727412 /nfs/dbraw/zinc/72/74/12/806727412.db2.gz ANCXVTQJPJBWSG-XJKCOSOUSA-N 2 1 296.455 3.236 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001255736502 806727419 /nfs/dbraw/zinc/72/74/19/806727419.db2.gz ANCXVTQJPJBWSG-XJKCOSOUSA-N 2 1 296.455 3.236 20 0 CGADMP Cc1ccc(C[C@H](C)[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001255796499 806756261 /nfs/dbraw/zinc/75/62/61/806756261.db2.gz XQZVLNLBJIQKRP-INIZCTEOSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)[C@@H]1CC[NH3+] ZINC000404416479 799577136 /nfs/dbraw/zinc/57/71/36/799577136.db2.gz GOAIJMKJYBCNDM-GXFFZTMASA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(Cl)cs2)[C@@H]1CC[NH3+] ZINC000404416479 799577142 /nfs/dbraw/zinc/57/71/42/799577142.db2.gz GOAIJMKJYBCNDM-GXFFZTMASA-N 2 1 272.845 3.351 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C12CCC2 ZINC000405213917 799582535 /nfs/dbraw/zinc/58/25/35/799582535.db2.gz FBZDBVRMNSSWCE-BPLDGKMQSA-N 2 1 292.423 3.222 20 0 CGADMP CO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000453069223 799631215 /nfs/dbraw/zinc/63/12/15/799631215.db2.gz YZRNXOVQMFHYSO-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2)C1(C)CC1 ZINC000688047708 799744683 /nfs/dbraw/zinc/74/46/83/799744683.db2.gz HOCIKPFSPBFNHF-LLVKDONJSA-N 2 1 264.438 3.014 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001255873362 806778273 /nfs/dbraw/zinc/77/82/73/806778273.db2.gz OTDSXZAREYIHGB-OAHLLOKOSA-N 2 1 278.415 3.174 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccnc2Cl)[C@@H]1CCC[NH3+] ZINC000693461359 799810814 /nfs/dbraw/zinc/81/08/14/799810814.db2.gz YIDYTQWEJQXJSN-TZMCWYRMSA-N 2 1 281.831 3.074 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC001255941008 806789774 /nfs/dbraw/zinc/78/97/74/806789774.db2.gz LJKYDJIWLOQNQA-GDBMZVCRSA-N 2 1 276.424 3.220 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1cnc2ccccn21 ZINC001255941255 806790025 /nfs/dbraw/zinc/79/00/25/806790025.db2.gz MPZNKZLLYQQMLE-HUUCEWRRSA-N 2 1 288.439 3.105 20 0 CGADMP c1c(C[N@H+]2CCC23CCCCC3)sc2c1C[NH2+]CC2 ZINC000707213313 799975610 /nfs/dbraw/zinc/97/56/10/799975610.db2.gz SJQLVZVRANMKJQ-UHFFFAOYSA-N 2 1 276.449 3.302 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001255948623 806793572 /nfs/dbraw/zinc/79/35/72/806793572.db2.gz OWQVJVFOINNBFX-HNNXBMFYSA-N 3 1 297.531 3.348 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000708782454 799993484 /nfs/dbraw/zinc/99/34/84/799993484.db2.gz RRJLJEZLYXIFLA-KLAILNCOSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000708855736 799998204 /nfs/dbraw/zinc/99/82/04/799998204.db2.gz DHWYZWNKMHKSIC-BMFZPTHFSA-N 2 1 261.413 3.140 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)c(OC)c1 ZINC001255951058 806795100 /nfs/dbraw/zinc/79/51/00/806795100.db2.gz MNTBPPVXCLHHIL-CYBMUJFWSA-N 2 1 282.403 3.044 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc2c(c(Cl)c1)OCO2 ZINC000710706736 800038602 /nfs/dbraw/zinc/03/86/02/800038602.db2.gz ZGPFRFQTHFRLDA-UHFFFAOYSA-N 2 1 298.814 3.020 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC001255955186 806798040 /nfs/dbraw/zinc/79/80/40/806798040.db2.gz PXPZBDCFLHPLQB-AWEZNQCLSA-N 2 1 266.404 3.378 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC001255955186 806798043 /nfs/dbraw/zinc/79/80/43/806798043.db2.gz PXPZBDCFLHPLQB-AWEZNQCLSA-N 2 1 266.404 3.378 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001255958199 806799459 /nfs/dbraw/zinc/79/94/59/806799459.db2.gz ZKYLMLQIAPYRQN-PMPSAXMXSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC001255962490 806799623 /nfs/dbraw/zinc/79/96/23/806799623.db2.gz VYNZBXDWEDHVLE-OAHLLOKOSA-N 2 1 278.440 3.247 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC001255962490 806799628 /nfs/dbraw/zinc/79/96/28/806799628.db2.gz VYNZBXDWEDHVLE-OAHLLOKOSA-N 2 1 278.440 3.247 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001255961540 806800181 /nfs/dbraw/zinc/80/01/81/806800181.db2.gz NSUIOHUCEBTXIU-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001255961540 806800189 /nfs/dbraw/zinc/80/01/89/806800189.db2.gz NSUIOHUCEBTXIU-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000711895378 800079755 /nfs/dbraw/zinc/07/97/55/800079755.db2.gz LNLISMFWVXZTMX-INIZCTEOSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000713026414 800104069 /nfs/dbraw/zinc/10/40/69/800104069.db2.gz LJFYYHGFXUYMIM-DZGCQCFKSA-N 2 1 250.430 3.053 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715489560 800135813 /nfs/dbraw/zinc/13/58/13/800135813.db2.gz DDFMIXWTSQQENH-CABCVRRESA-N 2 1 296.842 3.311 20 0 CGADMP CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712550 800178410 /nfs/dbraw/zinc/17/84/10/800178410.db2.gz MOVQNNOVTGJAOB-ULQDDVLXSA-N 2 1 258.409 3.039 20 0 CGADMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256071826 806811339 /nfs/dbraw/zinc/81/13/39/806811339.db2.gz QZFUXVUQMKPMAU-ZDUSSCGKSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717566194 800204577 /nfs/dbraw/zinc/20/45/77/800204577.db2.gz XLZGZQYTFQMUGY-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717566194 800204581 /nfs/dbraw/zinc/20/45/81/800204581.db2.gz XLZGZQYTFQMUGY-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CCC1 ZINC001256072896 806811525 /nfs/dbraw/zinc/81/15/25/806811525.db2.gz ZVHHLWUQHIWNON-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1C1CCN(C2CC2)CC1 ZINC001256081251 806816066 /nfs/dbraw/zinc/81/60/66/806816066.db2.gz VQIIAYPHFPBIRZ-CQSZACIVSA-N 2 1 270.420 3.060 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C1CCCC1 ZINC000721617089 800297020 /nfs/dbraw/zinc/29/70/20/800297020.db2.gz GRKDYELTFCJVPE-GDBMZVCRSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C1CCCC1 ZINC000721617089 800297025 /nfs/dbraw/zinc/29/70/25/800297025.db2.gz GRKDYELTFCJVPE-GDBMZVCRSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000723118905 800327366 /nfs/dbraw/zinc/32/73/66/800327366.db2.gz VDXVALIXXGGJBA-ZRNYENFQSA-N 2 1 298.474 3.486 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000723118905 800327371 /nfs/dbraw/zinc/32/73/71/800327371.db2.gz VDXVALIXXGGJBA-ZRNYENFQSA-N 2 1 298.474 3.486 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000723118905 800327380 /nfs/dbraw/zinc/32/73/80/800327380.db2.gz VDXVALIXXGGJBA-ZRNYENFQSA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723701820 800338776 /nfs/dbraw/zinc/33/87/76/800338776.db2.gz RKSPVUHLYCWGDT-NWDGAFQWSA-N 2 1 286.341 3.437 20 0 CGADMP [NH2+]=C(Nc1cc(C[NH3+])ccn1)C12CC3CC(CC(C3)C1)C2 ZINC001163839764 806836113 /nfs/dbraw/zinc/83/61/13/806836113.db2.gz PWVZDHHAMCZMLC-UHFFFAOYSA-N 2 1 284.407 3.146 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)CC(C)(C)C ZINC000878645657 800539846 /nfs/dbraw/zinc/53/98/46/800539846.db2.gz ONORILKWTRVKJR-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)CC(C)(C)C ZINC000878645657 800539850 /nfs/dbraw/zinc/53/98/50/800539850.db2.gz ONORILKWTRVKJR-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC000878645657 800539855 /nfs/dbraw/zinc/53/98/55/800539855.db2.gz ONORILKWTRVKJR-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC001256197178 806846716 /nfs/dbraw/zinc/84/67/16/806846716.db2.gz ATXDNQQQZROWIO-OAHLLOKOSA-N 2 1 264.800 3.011 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccn3)cc2)CC1 ZINC001256199137 806847232 /nfs/dbraw/zinc/84/72/32/806847232.db2.gz JHIWNGNTNHUUDB-UHFFFAOYSA-N 2 1 297.402 3.058 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(C)c1 ZINC001256201446 806848600 /nfs/dbraw/zinc/84/86/00/806848600.db2.gz JXTSTANLYUYNRS-INIZCTEOSA-N 2 1 264.388 3.269 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC001256201911 806851063 /nfs/dbraw/zinc/85/10/63/806851063.db2.gz SQFFSKJFMQKRPL-OAHLLOKOSA-N 2 1 268.351 3.100 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(Sc3ccccc3)CC2)CC1 ZINC001256210544 806851772 /nfs/dbraw/zinc/85/17/72/806851772.db2.gz KYQGRIRCTHBIME-UHFFFAOYSA-N 2 1 290.476 3.337 20 0 CGADMP C[C@H](Cc1ccccn1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256406207 806885218 /nfs/dbraw/zinc/88/52/18/806885218.db2.gz RQZGCMSEXFVPNA-IIDMSEBBSA-N 2 1 287.451 3.137 20 0 CGADMP C[C@@H]1C[C@H](n2cccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256522689 806909832 /nfs/dbraw/zinc/90/98/32/806909832.db2.gz IBWTWWGMDBAZHU-NVXWUHKLSA-N 2 1 283.419 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256521045 806910018 /nfs/dbraw/zinc/91/00/18/806910018.db2.gz XWLRUZSQMOEIKN-AKBUMOGYSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256521045 806910022 /nfs/dbraw/zinc/91/00/22/806910022.db2.gz XWLRUZSQMOEIKN-AKBUMOGYSA-N 2 1 276.399 3.130 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccnc1 ZINC001256562435 806916617 /nfs/dbraw/zinc/91/66/17/806916617.db2.gz UHHKTCZWPIHVLQ-MRXNPFEDSA-N 2 1 275.440 3.385 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3ncoc3c2)CC1 ZINC001256563586 806916749 /nfs/dbraw/zinc/91/67/49/806916749.db2.gz COZGVXIXDCKSKN-UHFFFAOYSA-N 2 1 287.407 3.180 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]CCC(=O)c2ccccc2)CC1 ZINC001256563492 806916796 /nfs/dbraw/zinc/91/67/96/806916796.db2.gz CLLDDFVQUJXTCL-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001256572608 806919347 /nfs/dbraw/zinc/91/93/47/806919347.db2.gz TYTYPFGBBOBOJY-OAHLLOKOSA-N 2 1 287.451 3.134 20 0 CGADMP C[C@@]1(C[NH3+])CCCN(c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001164250522 806923757 /nfs/dbraw/zinc/92/37/57/806923757.db2.gz QFASJQYQOGSTBQ-GOSISDBHSA-N 2 1 298.434 3.007 20 0 CGADMP F[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256604882 806924191 /nfs/dbraw/zinc/92/41/91/806924191.db2.gz ZKRKPHAMTOZTAH-KRWDZBQOSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604882 806924196 /nfs/dbraw/zinc/92/41/96/806924196.db2.gz ZKRKPHAMTOZTAH-KRWDZBQOSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604882 806924202 /nfs/dbraw/zinc/92/42/02/806924202.db2.gz ZKRKPHAMTOZTAH-KRWDZBQOSA-N 2 1 290.426 3.475 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001256628664 806931834 /nfs/dbraw/zinc/93/18/34/806931834.db2.gz NIPAJVMDSHSRFC-JTUUTPGSSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001256628664 806931837 /nfs/dbraw/zinc/93/18/37/806931837.db2.gz NIPAJVMDSHSRFC-JTUUTPGSSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256628664 806931838 /nfs/dbraw/zinc/93/18/38/806931838.db2.gz NIPAJVMDSHSRFC-JTUUTPGSSA-N 2 1 288.435 3.313 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC001116288259 802324624 /nfs/dbraw/zinc/32/46/24/802324624.db2.gz GEPBBEXZCZMPPA-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC001116288259 802324633 /nfs/dbraw/zinc/32/46/33/802324633.db2.gz GEPBBEXZCZMPPA-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CC(C)[NH+](CCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC001116431292 802347995 /nfs/dbraw/zinc/34/79/95/802347995.db2.gz WCVBALKUTRRRKX-GOSISDBHSA-N 2 1 274.452 3.424 20 0 CGADMP CC(C)[NH+](CCc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC001116431292 802348006 /nfs/dbraw/zinc/34/80/06/802348006.db2.gz WCVBALKUTRRRKX-GOSISDBHSA-N 2 1 274.452 3.424 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncccc2C)c1 ZINC001116528774 802370609 /nfs/dbraw/zinc/37/06/09/802370609.db2.gz COENLDDUCLTKOH-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC001118122187 802527400 /nfs/dbraw/zinc/52/74/00/802527400.db2.gz QQJRVAHTKMHBTO-BXUZGUMPSA-N 2 1 282.815 3.141 20 0 CGADMP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CCO1 ZINC001256904514 807005879 /nfs/dbraw/zinc/00/58/79/807005879.db2.gz IGQQGEIJRUEHEJ-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CCO1 ZINC001256904514 807005888 /nfs/dbraw/zinc/00/58/88/807005888.db2.gz IGQQGEIJRUEHEJ-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H](C)C(F)(F)F)CC1 ZINC001208894095 813883270 /nfs/dbraw/zinc/88/32/70/813883270.db2.gz OTLNLLLQNMVLRQ-LBPRGKRZSA-N 2 1 280.378 3.237 20 0 CGADMP Cc1c(F)ccc(F)c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244981231 803602704 /nfs/dbraw/zinc/60/27/04/803602704.db2.gz VCJUUHDYAVGOAQ-UHFFFAOYSA-N 2 1 299.324 3.275 20 0 CGADMP C[N@H+](Cc1ccc(C(C)(C)C)[nH]1)CC1CC[NH+](C)CC1 ZINC001137376690 803724498 /nfs/dbraw/zinc/72/44/98/803724498.db2.gz MZXCWBOSSPLXKG-UHFFFAOYSA-N 2 1 277.456 3.086 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2C1 ZINC001138113789 803859815 /nfs/dbraw/zinc/85/98/15/803859815.db2.gz STMGQNQCXFLMPN-QZTJIDSGSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)Cc2ccncc2)cc1 ZINC001138544651 803964298 /nfs/dbraw/zinc/96/42/98/803964298.db2.gz MBOBYTFQRDKRCW-UHFFFAOYSA-N 2 1 292.386 3.208 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC001138544651 803964306 /nfs/dbraw/zinc/96/43/06/803964306.db2.gz MBOBYTFQRDKRCW-UHFFFAOYSA-N 2 1 292.386 3.208 20 0 CGADMP CCCCC[C@H](O)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246031290 804101926 /nfs/dbraw/zinc/10/19/26/804101926.db2.gz POFFSSATFIPWDL-ZWKOTPCHSA-N 2 1 296.499 3.173 20 0 CGADMP CCCCC[C@@H](O)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246054088 804105159 /nfs/dbraw/zinc/10/51/59/804105159.db2.gz WRAZBGDMYXIWBY-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246076517 804113593 /nfs/dbraw/zinc/11/35/93/804113593.db2.gz ORHMLROAAHKQTE-JJLQDPRZSA-N 2 1 278.827 3.448 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246077799 804115619 /nfs/dbraw/zinc/11/56/19/804115619.db2.gz ABHSETWIXZOEMJ-OBJOEFQTSA-N 2 1 266.816 3.001 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[NH2+]1 ZINC001246081939 804119389 /nfs/dbraw/zinc/11/93/89/804119389.db2.gz SXJXHIKGIJNKJF-LSDHHAIUSA-N 2 1 284.806 3.345 20 0 CGADMP c1ccc(CC2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246109028 804141906 /nfs/dbraw/zinc/14/19/06/804141906.db2.gz IOCFNXUAOQORMS-DAWZGUTISA-N 2 1 272.436 3.130 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001139156383 804142192 /nfs/dbraw/zinc/14/21/92/804142192.db2.gz AWBIBCQZZZDACN-IBGZPJMESA-N 2 1 297.446 3.189 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001139156383 804142195 /nfs/dbraw/zinc/14/21/95/804142195.db2.gz AWBIBCQZZZDACN-IBGZPJMESA-N 2 1 297.446 3.189 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001139156383 804142197 /nfs/dbraw/zinc/14/21/97/804142197.db2.gz AWBIBCQZZZDACN-IBGZPJMESA-N 2 1 297.446 3.189 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](CC)CCC[NH+](C)C ZINC001139155411 804142924 /nfs/dbraw/zinc/14/29/24/804142924.db2.gz PJVPCPWCEMWFSU-UHFFFAOYSA-N 2 1 287.451 3.435 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001246118146 804150087 /nfs/dbraw/zinc/15/00/87/804150087.db2.gz WDULAWHOGNTMDO-PKFCDNJMSA-N 2 1 287.234 3.122 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246119072 804151308 /nfs/dbraw/zinc/15/13/08/804151308.db2.gz AWNVFEPWPPCSNH-IKGGRYGDSA-N 2 1 258.409 3.054 20 0 CGADMP CCCCCC[C@H](CC)[NH2+][C@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246122853 804152582 /nfs/dbraw/zinc/15/25/82/804152582.db2.gz BTJFTPOUDZZJJQ-RDJZCZTQSA-N 2 1 298.471 3.010 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC001246128228 804154682 /nfs/dbraw/zinc/15/46/82/804154682.db2.gz ACEZJRTZVNKACQ-HYVNUMGLSA-N 2 1 290.476 3.350 20 0 CGADMP CCCCCC[C@H](CCCC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246136042 804160400 /nfs/dbraw/zinc/16/04/00/804160400.db2.gz UXVSTZVWMIPIHX-JYJNAYRXSA-N 2 1 252.446 3.467 20 0 CGADMP CCCC[C@H](CC(C)C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159158 804175877 /nfs/dbraw/zinc/17/58/77/804175877.db2.gz INGUZBMZGYCWCT-KZNAEPCWSA-N 2 1 296.499 3.482 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CC[NH2+]1 ZINC001246168157 804183230 /nfs/dbraw/zinc/18/32/30/804183230.db2.gz XFHGPCZLKLJNGR-SJORKVTESA-N 2 1 289.467 3.153 20 0 CGADMP F[C@@]1(C[NH2+]C2CCC(c3ccccc3)CC2)CCC[NH2+]C1 ZINC001246180123 804193831 /nfs/dbraw/zinc/19/38/31/804193831.db2.gz PNEFSVNGRIBUDV-ABHNRTSZSA-N 2 1 290.426 3.394 20 0 CGADMP F[C@]1(C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246181677 804195518 /nfs/dbraw/zinc/19/55/18/804195518.db2.gz RMNHPTHRQLRZPN-OKZBNKHCSA-N 2 1 290.426 3.394 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)n2)CC1 ZINC001139550612 804205285 /nfs/dbraw/zinc/20/52/85/804205285.db2.gz NKTKPKWITFOXOV-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CCCC(CCC)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246221903 804216293 /nfs/dbraw/zinc/21/62/93/804216293.db2.gz PGDVYRJXWSUEIM-CYBMUJFWSA-N 2 1 262.388 3.180 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC001246221358 804216563 /nfs/dbraw/zinc/21/65/63/804216563.db2.gz NUXHWAVYESMMDK-UMVBOHGHSA-N 2 1 288.426 3.426 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246236367 804228901 /nfs/dbraw/zinc/22/89/01/804228901.db2.gz RMCJPQPKKPRXMA-JKSUJKDBSA-N 2 1 264.388 3.000 20 0 CGADMP CCC1CCC(C2CCC([NH2+]C[C@@H]([NH3+])COC)CC2)CC1 ZINC001246239974 804232469 /nfs/dbraw/zinc/23/24/69/804232469.db2.gz LENCKQUOCXFMCF-AWDGRILASA-N 2 1 296.499 3.325 20 0 CGADMP CN1CCC([N@@H+](C)Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139640331 804238746 /nfs/dbraw/zinc/23/87/46/804238746.db2.gz RYVVRUBNOGMVNH-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC001246256164 804241352 /nfs/dbraw/zinc/24/13/52/804241352.db2.gz NWCXESUZAZITAG-ZWNOBZJWSA-N 2 1 287.234 3.266 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](CC)C1)c1ccccc1F ZINC001246266828 804246024 /nfs/dbraw/zinc/24/60/24/804246024.db2.gz SAWZIMFDYFSCQB-IOASZLSFSA-N 2 1 264.388 3.397 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H](Cc1ccccc1)CC(C)C ZINC001246270514 804247864 /nfs/dbraw/zinc/24/78/64/804247864.db2.gz OQARTFONWRHSKX-KRWDZBQOSA-N 2 1 262.441 3.233 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H](C[NH3+])Cc2ccccc2)CC(C)(C)C1 ZINC001246269352 804248275 /nfs/dbraw/zinc/24/82/75/804248275.db2.gz RICZQZQYXUKAIP-USXIJHARSA-N 2 1 274.452 3.361 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H](C[NH3+])Cc1ccccc1)CC2 ZINC001246269338 804248414 /nfs/dbraw/zinc/24/84/14/804248414.db2.gz QZPIHMUOIGARJW-WOJBJXKFSA-N 2 1 294.442 3.012 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC001246301107 804267999 /nfs/dbraw/zinc/26/79/99/804267999.db2.gz WOFCWJFCGLUYHC-PMACEKPBSA-N 2 1 294.442 3.012 20 0 CGADMP COc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246316625 804277201 /nfs/dbraw/zinc/27/72/01/804277201.db2.gz ILHMVSTUGSPPNS-GOEBONIOSA-N 2 1 294.414 3.091 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CNCCC1(C)C ZINC001246323897 804280888 /nfs/dbraw/zinc/28/08/88/804280888.db2.gz CWFVHSBPTYRPMD-NHYWBVRUSA-N 2 1 298.833 3.388 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246323897 804280895 /nfs/dbraw/zinc/28/08/95/804280895.db2.gz CWFVHSBPTYRPMD-NHYWBVRUSA-N 2 1 298.833 3.388 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246329424 804283795 /nfs/dbraw/zinc/28/37/95/804283795.db2.gz PWPGTQUQYLDVNR-MWQQHZPXSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246332762 804287827 /nfs/dbraw/zinc/28/78/27/804287827.db2.gz SXTFGPPGDMSVTB-JOSFTKKCSA-N 2 1 298.474 3.401 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246342073 804294302 /nfs/dbraw/zinc/29/43/02/804294302.db2.gz DZAHXGOUNUFYEP-DABQJJPHSA-N 2 1 266.816 3.267 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C(C)(C)c2ccccc2F)CC[NH2+]1 ZINC001246349690 804298545 /nfs/dbraw/zinc/29/85/45/804298545.db2.gz NRHJCPKDXMSFKG-BBRMVZONSA-N 2 1 278.415 3.427 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246356699 804301399 /nfs/dbraw/zinc/30/13/99/804301399.db2.gz PJJILUFVMIJHDT-CKEIUWERSA-N 2 1 273.424 3.054 20 0 CGADMP [NH3+]CC1([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC001246358245 804303690 /nfs/dbraw/zinc/30/36/90/804303690.db2.gz ZGZCQFCFQABYBF-CVEARBPZSA-N 2 1 258.409 3.184 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246361886 804305759 /nfs/dbraw/zinc/30/57/59/804305759.db2.gz JUDQGGHZYAQMES-GBIKHYSHSA-N 2 1 287.234 3.264 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C)cc1C ZINC001246375748 804309329 /nfs/dbraw/zinc/30/93/29/804309329.db2.gz KLEOQVNOXTWJGH-NVXWUHKLSA-N 2 1 260.425 3.486 20 0 CGADMP CC[C@@]1(C[NH2+][C@H](C)CSc2ccc(F)cc2)CCC[NH2+]1 ZINC001246457731 804340653 /nfs/dbraw/zinc/34/06/53/804340653.db2.gz TWGBSNIKGMARHB-CJNGLKHVSA-N 2 1 296.455 3.428 20 0 CGADMP CC[C@]1([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC[NH2+]C1 ZINC001246460416 804341206 /nfs/dbraw/zinc/34/12/06/804341206.db2.gz MLXXENLJUGVQKV-ABAIWWIYSA-N 2 1 284.806 3.142 20 0 CGADMP FC1(F)C[NH2+]CC[C@H]1CC[NH2+]C1CCCCCCC1 ZINC001246479887 804353890 /nfs/dbraw/zinc/35/38/90/804353890.db2.gz ATRLIZLOERJWBK-ZDUSSCGKSA-N 2 1 274.399 3.324 20 0 CGADMP COCC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C(C)C ZINC001140027458 804354036 /nfs/dbraw/zinc/35/40/36/804354036.db2.gz APNRKFHMQBXEDM-UHFFFAOYSA-N 2 1 287.407 3.038 20 0 CGADMP COCC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C(C)C ZINC001140027458 804354045 /nfs/dbraw/zinc/35/40/45/804354045.db2.gz APNRKFHMQBXEDM-UHFFFAOYSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC[NH2+]1 ZINC001246486591 804355902 /nfs/dbraw/zinc/35/59/02/804355902.db2.gz COUPTIQGVJHWDC-RLCCDNCMSA-N 2 1 294.389 3.318 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246500503 804362709 /nfs/dbraw/zinc/36/27/09/804362709.db2.gz WXPXEMUAMYALBW-BGTYHANMSA-N 2 1 272.436 3.300 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001246504334 804364215 /nfs/dbraw/zinc/36/42/15/804364215.db2.gz QPHAGDIRLMIJDS-RISCZKNCSA-N 2 1 286.822 3.373 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246505737 804365022 /nfs/dbraw/zinc/36/50/22/804365022.db2.gz WGGKBIUIRHUMBN-QKPAOTATSA-N 2 1 252.446 3.323 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246519362 804373652 /nfs/dbraw/zinc/37/36/52/804373652.db2.gz MLYMZKLOKHOIOC-INIZCTEOSA-N 2 1 260.425 3.429 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246519362 804373659 /nfs/dbraw/zinc/37/36/59/804373659.db2.gz MLYMZKLOKHOIOC-INIZCTEOSA-N 2 1 260.425 3.429 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CCCCC2)CC[NH2+]1 ZINC001246519816 804374188 /nfs/dbraw/zinc/37/41/88/804374188.db2.gz QFIBINBCUSUJAJ-WBVHZDCISA-N 2 1 276.399 3.413 20 0 CGADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246531716 804382945 /nfs/dbraw/zinc/38/29/45/804382945.db2.gz SMHABXIILQIKFY-GJZGRUSLSA-N 2 1 250.430 3.303 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CCO[C@@H](CC[NH3+])C2)CC1 ZINC001246535413 804385270 /nfs/dbraw/zinc/38/52/70/804385270.db2.gz KYERFYZJNZOILZ-GPANFISMSA-N 2 1 282.472 3.031 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543402 804390627 /nfs/dbraw/zinc/39/06/27/804390627.db2.gz MZLMBECUEOSKCF-SJORKVTESA-N 2 1 284.488 3.301 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246544798 804393782 /nfs/dbraw/zinc/39/37/82/804393782.db2.gz ZEUKZMBQCVQKSW-ZIAGYGMSSA-N 2 1 278.827 3.011 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH+]3CCCCCC3)CC[NH2+]2)cc1 ZINC001246547711 804395922 /nfs/dbraw/zinc/39/59/22/804395922.db2.gz MKXCDPVFUVXFAC-IRXDYDNUSA-N 2 1 258.409 3.356 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246550502 804399925 /nfs/dbraw/zinc/39/99/25/804399925.db2.gz PSGZUJJOVHYLJM-GZBFAFLISA-N 2 1 296.480 3.492 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001246551910 804402097 /nfs/dbraw/zinc/40/20/97/804402097.db2.gz SKLHRPIDBSETBI-ZIAGYGMSSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001246551910 804402099 /nfs/dbraw/zinc/40/20/99/804402099.db2.gz SKLHRPIDBSETBI-ZIAGYGMSSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)Cc2cccc(Cl)c2)C1 ZINC001246554082 804404116 /nfs/dbraw/zinc/40/41/16/804404116.db2.gz YROGDPXQWJVFPD-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)Cc2cccc(Cl)c2)C1 ZINC001246554082 804404119 /nfs/dbraw/zinc/40/41/19/804404119.db2.gz YROGDPXQWJVFPD-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)CCc2ccc(C)cc2)C1 ZINC001246554041 804404519 /nfs/dbraw/zinc/40/45/19/804404519.db2.gz YQJMCJWEPHZZAW-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246556608 804405851 /nfs/dbraw/zinc/40/58/51/804405851.db2.gz JREYSCRAFHFVIQ-CYBMUJFWSA-N 2 1 276.415 3.363 20 0 CGADMP c1ccc([C@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246558214 804408732 /nfs/dbraw/zinc/40/87/32/804408732.db2.gz PHXJHMUCXCTNQU-ZWKOTPCHSA-N 2 1 284.447 3.398 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CSc3ccccc3C2)CC[C@@H]1C[NH3+] ZINC001246558935 804408745 /nfs/dbraw/zinc/40/87/45/804408745.db2.gz OCZHIGVPGUUMEF-BMFZPTHFSA-N 2 1 290.476 3.010 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1)C2 ZINC001246561449 804410547 /nfs/dbraw/zinc/41/05/47/804410547.db2.gz SSJUCLNVROSASF-QGTPRVQTSA-N 2 1 286.463 3.159 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246562107 804411142 /nfs/dbraw/zinc/41/11/42/804411142.db2.gz VUQKPPWLPHOPMD-FMKPAKJESA-N 2 1 278.415 3.064 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001246563186 804412376 /nfs/dbraw/zinc/41/23/76/804412376.db2.gz JGACWQARNLIOJH-MPGHIAIKSA-N 2 1 274.452 3.239 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246563252 804412626 /nfs/dbraw/zinc/41/26/26/804412626.db2.gz CKINNHWLFUJBJD-KBAYOESNSA-N 2 1 274.452 3.315 20 0 CGADMP CC(C)OC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246564779 804413078 /nfs/dbraw/zinc/41/30/78/804413078.db2.gz GLZSGEICSJQCJN-NUWOQIAWSA-N 2 1 282.472 3.029 20 0 CGADMP F[C@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246569946 804417274 /nfs/dbraw/zinc/41/72/74/804417274.db2.gz XMPRGTFTVURWAJ-FHERZECASA-N 2 1 268.420 3.123 20 0 CGADMP C[C@]1(F)CCCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246574086 804421031 /nfs/dbraw/zinc/42/10/31/804421031.db2.gz JUGZXKKQUZAEEK-CABCVRRESA-N 2 1 268.420 3.123 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC(C)(C)C1 ZINC001246579854 804423859 /nfs/dbraw/zinc/42/38/59/804423859.db2.gz LYMHNHUBSMWFLN-FMKPAKJESA-N 2 1 270.436 3.354 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CC(C)(C)C1 ZINC001246579854 804423865 /nfs/dbraw/zinc/42/38/65/804423865.db2.gz LYMHNHUBSMWFLN-FMKPAKJESA-N 2 1 270.436 3.354 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246579909 804424503 /nfs/dbraw/zinc/42/45/03/804424503.db2.gz VEKBJTUKBQJNOQ-GOEBONIOSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCC(F)(F)CC2)CC1 ZINC001246579929 804424930 /nfs/dbraw/zinc/42/49/30/804424930.db2.gz VHQIORFDLFKPOC-ZDUSSCGKSA-N 2 1 260.372 3.015 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246584547 804428268 /nfs/dbraw/zinc/42/82/68/804428268.db2.gz NLSALBTVKYAZPL-ZWKOTPCHSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246584276 804428615 /nfs/dbraw/zinc/42/86/15/804428615.db2.gz IXVJIJUMIAAUJC-DFBGVHRSSA-N 2 1 284.806 3.032 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246584276 804428617 /nfs/dbraw/zinc/42/86/17/804428617.db2.gz IXVJIJUMIAAUJC-DFBGVHRSSA-N 2 1 284.806 3.032 20 0 CGADMP CC(C)[N@@H+]([C@H]1Cc2cccc(F)c2C1)[C@@H]1CCC[NH2+]CC1 ZINC001246590578 804433026 /nfs/dbraw/zinc/43/30/26/804433026.db2.gz HDSRRDGYIVWMJC-CVEARBPZSA-N 2 1 290.426 3.145 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598482 804436986 /nfs/dbraw/zinc/43/69/86/804436986.db2.gz AIMNYCSQUNEFKH-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598482 804436990 /nfs/dbraw/zinc/43/69/90/804436990.db2.gz AIMNYCSQUNEFKH-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001246607526 804443582 /nfs/dbraw/zinc/44/35/82/804443582.db2.gz TUZJTDAMOVOVQD-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001246607526 804443586 /nfs/dbraw/zinc/44/35/86/804443586.db2.gz TUZJTDAMOVOVQD-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246610803 804444580 /nfs/dbraw/zinc/44/45/80/804444580.db2.gz NZYIRCSNJFBDAR-IKGGRYGDSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCO1 ZINC001246609771 804444649 /nfs/dbraw/zinc/44/46/49/804444649.db2.gz NNFTZUOSXFQZPV-KZNAEPCWSA-N 2 1 294.483 3.190 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@]4(CCC[NH2+]4)C3)C2)cc1 ZINC001246612261 804447322 /nfs/dbraw/zinc/44/73/22/804447322.db2.gz GDHQMWSSGGCWCN-FGTMMUONSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@]4(CCC[NH2+]4)C3)C2)cc1 ZINC001246612261 804447326 /nfs/dbraw/zinc/44/73/26/804447326.db2.gz GDHQMWSSGGCWCN-FGTMMUONSA-N 2 1 270.420 3.151 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246612950 804447596 /nfs/dbraw/zinc/44/75/96/804447596.db2.gz JIWRURSTLGQISI-DLBZAZTESA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)C1CCC([N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001246615715 804449914 /nfs/dbraw/zinc/44/99/14/804449914.db2.gz UKXHOOCZWHYMQM-UYSNPLJNSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001246615715 804449919 /nfs/dbraw/zinc/44/99/19/804449919.db2.gz UKXHOOCZWHYMQM-UYSNPLJNSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246615808 804450956 /nfs/dbraw/zinc/45/09/56/804450956.db2.gz VVBACBNMIGFKMR-MRXNPFEDSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246621638 804455032 /nfs/dbraw/zinc/45/50/32/804455032.db2.gz FPIAFPCQTNYTJL-OAHLLOKOSA-N 2 1 250.430 3.339 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)C[C@@H]1C ZINC001246622643 804455546 /nfs/dbraw/zinc/45/55/46/804455546.db2.gz RPVVMJYVKPUOSM-UGUYLWEFSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246625024 804456883 /nfs/dbraw/zinc/45/68/83/804456883.db2.gz QSJPGBPGQDKSIT-NXHRZFHOSA-N 2 1 284.447 3.254 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246628716 804459145 /nfs/dbraw/zinc/45/91/45/804459145.db2.gz CMSIGJMXAXIHOJ-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632570 804463024 /nfs/dbraw/zinc/46/30/24/804463024.db2.gz XKIXJLDHCUKWCY-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP CCCC(CCC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246634938 804465734 /nfs/dbraw/zinc/46/57/34/804465734.db2.gz BMGNDFZAHSBNQY-AWEZNQCLSA-N 2 1 274.399 3.276 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246638157 804466337 /nfs/dbraw/zinc/46/63/37/804466337.db2.gz IRYKOJOREPSCQL-AWEZNQCLSA-N 2 1 292.854 3.347 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640106 804467424 /nfs/dbraw/zinc/46/74/24/804467424.db2.gz BEKVOECWZOFBQY-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246638398 804467496 /nfs/dbraw/zinc/46/74/96/804467496.db2.gz LESOKARMTVHRPS-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)C[NH2+]1 ZINC001246642476 804468714 /nfs/dbraw/zinc/46/87/14/804468714.db2.gz BUCJADOHVHQNSI-NVXWUHKLSA-N 2 1 284.447 3.107 20 0 CGADMP CCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246642213 804469290 /nfs/dbraw/zinc/46/92/90/804469290.db2.gz ZSWZOYYWZLDFPA-KBPBESRZSA-N 2 1 274.399 3.276 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC001246644512 804472016 /nfs/dbraw/zinc/47/20/16/804472016.db2.gz JZPGSJRZZJQSMP-HYVNUMGLSA-N 2 1 264.457 3.419 20 0 CGADMP CC1CCC([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001246645494 804472075 /nfs/dbraw/zinc/47/20/75/804472075.db2.gz NIZXGZGASABJFM-BDVYOWHSSA-N 2 1 264.457 3.419 20 0 CGADMP C1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246644635 804472544 /nfs/dbraw/zinc/47/25/44/804472544.db2.gz ILVJPPSFQDZUBZ-ARFHVFGLSA-N 2 1 262.441 3.173 20 0 CGADMP CCCCCC1CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246648381 804475613 /nfs/dbraw/zinc/47/56/13/804475613.db2.gz XYKBYLQDGYUUJP-ODZFXCKXSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)C1CCC([NH+]2CCC3(CC[NH2+]3)CC2)CC1 ZINC001246651718 804478765 /nfs/dbraw/zinc/47/87/65/804478765.db2.gz YVQHXAOEAXRWCY-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)C2)cc1 ZINC001246653841 804479992 /nfs/dbraw/zinc/47/99/92/804479992.db2.gz AGIJDSKXOGONRD-RDGPPVDQSA-N 2 1 284.447 3.397 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246655173 804480748 /nfs/dbraw/zinc/48/07/48/804480748.db2.gz GLWNNZWNOIVYKA-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246657846 804482090 /nfs/dbraw/zinc/48/20/90/804482090.db2.gz JSFPHARSQYFWBL-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246657846 804482091 /nfs/dbraw/zinc/48/20/91/804482091.db2.gz JSFPHARSQYFWBL-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246660292 804484143 /nfs/dbraw/zinc/48/41/43/804484143.db2.gz OZIJVSJDFGHVRI-MPXAEWJHSA-N 2 1 296.867 3.242 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001246663271 804484832 /nfs/dbraw/zinc/48/48/32/804484832.db2.gz LCGKNJIXDHIEJX-BXXUTWAOSA-N 2 1 296.458 3.107 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001246668235 804488199 /nfs/dbraw/zinc/48/81/99/804488199.db2.gz XKUUOGBIXPGZDN-HYVNUMGLSA-N 2 1 290.838 3.011 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)C2)cc1 ZINC001246669899 804488218 /nfs/dbraw/zinc/48/82/18/804488218.db2.gz CLXLYEATZTUGLU-VSZNYVQBSA-N 2 1 270.420 3.007 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246670943 804489722 /nfs/dbraw/zinc/48/97/22/804489722.db2.gz GMXSIZQLFXYLQA-LBDPXKHJSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246683775 804495435 /nfs/dbraw/zinc/49/54/35/804495435.db2.gz SZWPVHWFQUCTRD-CGTJXYLNSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246685669 804495919 /nfs/dbraw/zinc/49/59/19/804495919.db2.gz ARVDUXZRRCEMLR-LUKYLMHMSA-N 2 1 284.463 3.471 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246687863 804497306 /nfs/dbraw/zinc/49/73/06/804497306.db2.gz XMCYZOXUYBOEGI-WNRNVDISSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246767872 804500770 /nfs/dbraw/zinc/50/07/70/804500770.db2.gz CLGNSRQROSLQNO-QQFBHYJXSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246767933 804501260 /nfs/dbraw/zinc/50/12/60/804501260.db2.gz DJLISHBJDAFMMI-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)C[C@H](CC)[NH2+]1 ZINC001246756901 804501697 /nfs/dbraw/zinc/50/16/97/804501697.db2.gz AMERWRNYBORYNW-LVZMMCSGSA-N 2 1 294.483 3.043 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)Cc2cccc(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246770935 804502584 /nfs/dbraw/zinc/50/25/84/804502584.db2.gz SMMDPTLPRDDNSJ-HZPDHXFCSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@@H]1CC([N@H+](C)Cc2ccccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246771266 804504453 /nfs/dbraw/zinc/50/44/53/804504453.db2.gz XTXQOAHHGUCOKF-HZPDHXFCSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)Cc2ccccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246771266 804504458 /nfs/dbraw/zinc/50/44/58/804504458.db2.gz XTXQOAHHGUCOKF-HZPDHXFCSA-N 2 1 290.451 3.436 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC001246774645 804505132 /nfs/dbraw/zinc/50/51/32/804505132.db2.gz GBCFVQRPYGIPGM-YOEHRIQHSA-N 2 1 268.404 3.412 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246781088 804508042 /nfs/dbraw/zinc/50/80/42/804508042.db2.gz XJKHSTNQARQSAN-SJORKVTESA-N 2 1 272.436 3.397 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCOc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246786302 804511545 /nfs/dbraw/zinc/51/15/45/804511545.db2.gz NLBGSVRAJNGNKE-BJWYYQGGSA-N 2 1 288.435 3.190 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCOc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246786302 804511551 /nfs/dbraw/zinc/51/15/51/804511551.db2.gz NLBGSVRAJNGNKE-BJWYYQGGSA-N 2 1 288.435 3.190 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246786385 804512094 /nfs/dbraw/zinc/51/20/94/804512094.db2.gz ONXOEPYVWNJKHC-NUJGCVRESA-N 2 1 288.435 3.060 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246787905 804512231 /nfs/dbraw/zinc/51/22/31/804512231.db2.gz FSOSRAOTJLTPIT-NJINODPHSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[C@H]1C ZINC001246793370 804517529 /nfs/dbraw/zinc/51/75/29/804517529.db2.gz YMJDZDGFTVSRGV-QKPAOTATSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246796910 804519622 /nfs/dbraw/zinc/51/96/22/804519622.db2.gz NUNXTOXAJWILOZ-IOASZLSFSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC001246810100 804526397 /nfs/dbraw/zinc/52/63/97/804526397.db2.gz MOOYGQSSKJHJHS-MGPQQGTHSA-N 2 1 278.827 3.270 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC001246810094 804527541 /nfs/dbraw/zinc/52/75/41/804527541.db2.gz MOOYGQSSKJHJHS-HZSPNIEDSA-N 2 1 278.827 3.270 20 0 CGADMP C[N@@H+](Cc1c(Cl)cccc1Cl)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246811141 804528388 /nfs/dbraw/zinc/52/83/88/804528388.db2.gz NTMBEYRWFCZRQW-GDNZZTSVSA-N 2 1 299.245 3.423 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246814963 804531859 /nfs/dbraw/zinc/53/18/59/804531859.db2.gz AYMCFJPGQJQBCM-OKZBNKHCSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccc2Cl)C[C@H](C)[NH2+]1 ZINC001246815799 804532545 /nfs/dbraw/zinc/53/25/45/804532545.db2.gz AUTPTLCONZOREO-AGGWBTHJSA-N 2 1 280.843 3.343 20 0 CGADMP Cc1c[nH]c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1C ZINC001140859735 804535129 /nfs/dbraw/zinc/53/51/29/804535129.db2.gz CNOPPLITRWQYEC-UHFFFAOYSA-N 2 1 298.434 3.074 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)CCc2ccccc2Cl)CC1 ZINC001246822640 804537344 /nfs/dbraw/zinc/53/73/44/804537344.db2.gz MGURWMIJKSDRQA-UHFFFAOYSA-N 2 1 280.843 3.345 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246827639 804538468 /nfs/dbraw/zinc/53/84/68/804538468.db2.gz QCJMVGFNBQNAFD-MSOLQXFVSA-N 2 1 288.410 3.106 20 0 CGADMP C[C@H]1CC([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@H](C)C1 ZINC001246826044 804538517 /nfs/dbraw/zinc/53/85/17/804538517.db2.gz AWHYDTXYGAJLSC-KKOKHZNYSA-N 2 1 278.362 3.023 20 0 CGADMP C[C@H]1CC([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@H](C)C1 ZINC001246826044 804538521 /nfs/dbraw/zinc/53/85/21/804538521.db2.gz AWHYDTXYGAJLSC-KKOKHZNYSA-N 2 1 278.362 3.023 20 0 CGADMP COCCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCCC(C)(C)C1 ZINC001246836905 804544001 /nfs/dbraw/zinc/54/40/01/804544001.db2.gz PTZHXNHMNGWNKC-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246839390 804548269 /nfs/dbraw/zinc/54/82/69/804548269.db2.gz AOQLFNBGXQSYIB-QQFBHYJXSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246841024 804549900 /nfs/dbraw/zinc/54/99/00/804549900.db2.gz SDDHCTQGACVITA-CHWSQXEVSA-N 2 1 264.388 3.177 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CC2CCCC2)CC[NH2+]1 ZINC001246841626 804550234 /nfs/dbraw/zinc/55/02/34/804550234.db2.gz NPLXNLUQFLMZJZ-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001246841606 804550976 /nfs/dbraw/zinc/55/09/76/804550976.db2.gz NNTOQVILEWNLNE-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H]1c2cccn2CC[N@@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246842312 804551003 /nfs/dbraw/zinc/55/10/03/804551003.db2.gz YKTDIMSSOWMRJY-HJOIGYKYSA-N 2 1 287.451 3.177 20 0 CGADMP C[C@H]1c2cccn2CC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246842312 804551006 /nfs/dbraw/zinc/55/10/06/804551006.db2.gz YKTDIMSSOWMRJY-HJOIGYKYSA-N 2 1 287.451 3.177 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246843522 804552536 /nfs/dbraw/zinc/55/25/36/804552536.db2.gz DEXNJFRPVBIDDJ-MUJYYYPQSA-N 2 1 276.399 3.321 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246843522 804552541 /nfs/dbraw/zinc/55/25/41/804552541.db2.gz DEXNJFRPVBIDDJ-MUJYYYPQSA-N 2 1 276.399 3.321 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246845797 804554833 /nfs/dbraw/zinc/55/48/33/804554833.db2.gz LXSRINKTYKMMLS-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC001246851542 804562149 /nfs/dbraw/zinc/56/21/49/804562149.db2.gz KTSSUJWETJBRDL-JGGQBBKZSA-N 2 1 278.827 3.270 20 0 CGADMP Clc1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246851596 804562529 /nfs/dbraw/zinc/56/25/29/804562529.db2.gz LYSYUYIYEVBKJA-GDBMZVCRSA-N 2 1 278.827 3.271 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC001246859924 804565115 /nfs/dbraw/zinc/56/51/15/804565115.db2.gz MTCYMLJVZHWQCT-NVXWUHKLSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246863721 804567637 /nfs/dbraw/zinc/56/76/37/804567637.db2.gz YYIGANIJETZBRR-HLLBOEOZSA-N 2 1 298.434 3.047 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246865450 804569417 /nfs/dbraw/zinc/56/94/17/804569417.db2.gz ZXNUVFDSTQRIES-YWIABWOTSA-N 2 1 250.430 3.014 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC[NH2+]1 ZINC001246884325 804580154 /nfs/dbraw/zinc/58/01/54/804580154.db2.gz AJBQJNUMHYJBPE-OLMMMNRUSA-N 2 1 284.447 3.350 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([NH+]3CC4CCC(CC4)C3)CC[NH2+]2)cc1 ZINC001246886214 804581789 /nfs/dbraw/zinc/58/17/89/804581789.db2.gz YKFUBIFOCGGDRP-NTFDOXNWSA-N 2 1 298.474 3.472 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001246892630 804583901 /nfs/dbraw/zinc/58/39/01/804583901.db2.gz GQMKCRNYKFLWCI-MRXNPFEDSA-N 2 1 290.426 3.147 20 0 CGADMP C(C1CC1)[N@@H+](C1CC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246912378 804595384 /nfs/dbraw/zinc/59/53/84/804595384.db2.gz LBBDSULYSJDASI-UHFFFAOYSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246912478 804595707 /nfs/dbraw/zinc/59/57/07/804595707.db2.gz DYHVZQSTSLDYEI-QAPCUYQASA-N 2 1 272.436 3.429 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246914058 804596997 /nfs/dbraw/zinc/59/69/97/804596997.db2.gz YPNVJIUUHOIMPL-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001246914069 804597419 /nfs/dbraw/zinc/59/74/19/804597419.db2.gz YRSQLGDGZZGQTP-AJNGGQMLSA-N 2 1 252.446 3.403 20 0 CGADMP CCC[C@H](C)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246914212 804597737 /nfs/dbraw/zinc/59/77/37/804597737.db2.gz KBSRHKAWVKXIHE-HNNXBMFYSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@@H](Cc1ccco1)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246919873 804600992 /nfs/dbraw/zinc/60/09/92/804600992.db2.gz HQMDQBFXOMDKPY-WMZOPIPTSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@@H](Cc1ccco1)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246919873 804600995 /nfs/dbraw/zinc/60/09/95/804600995.db2.gz HQMDQBFXOMDKPY-WMZOPIPTSA-N 2 1 298.430 3.465 20 0 CGADMP CCCCCC[C@H](CCCC)[N@H+]1C[C@H]2C[NH2+][C@H]2C1 ZINC001246922030 804602802 /nfs/dbraw/zinc/60/28/02/804602802.db2.gz UGSNKGHPUWIAMV-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001246933671 804607171 /nfs/dbraw/zinc/60/71/71/804607171.db2.gz AIMNKRKHWMQCJC-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP Nc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246935919 804609253 /nfs/dbraw/zinc/60/92/53/804609253.db2.gz TVWUGKHYADFQHS-MRXNPFEDSA-N 2 1 299.462 3.082 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC001246941417 804610037 /nfs/dbraw/zinc/61/00/37/804610037.db2.gz JVSAOFXCLZVMFG-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246943961 804611821 /nfs/dbraw/zinc/61/18/21/804611821.db2.gz SOAQEZONCBZBLL-DYVFJYSZSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246964958 804619350 /nfs/dbraw/zinc/61/93/50/804619350.db2.gz DPEAKLKZURCGHF-RBUKOAKNSA-N 2 1 284.447 3.275 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCC(C)(C)C1 ZINC001246975807 804623629 /nfs/dbraw/zinc/62/36/29/804623629.db2.gz PGADJOCMNRNZCS-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246974608 804624081 /nfs/dbraw/zinc/62/40/81/804624081.db2.gz KTCDPSOXDAMNLP-MANSERQUSA-N 2 1 286.463 3.457 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2c(C)cccc2C1 ZINC001246978529 804625446 /nfs/dbraw/zinc/62/54/46/804625446.db2.gz VWLYNSANCTYXEB-FUHWJXTLSA-N 2 1 286.463 3.174 20 0 CGADMP CC(C)CC[C@@H](C)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246977753 804625925 /nfs/dbraw/zinc/62/59/25/804625925.db2.gz QTJJAFHTIQWLFJ-CQSZACIVSA-N 2 1 252.446 3.418 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001246997296 804632893 /nfs/dbraw/zinc/63/28/93/804632893.db2.gz LVLRVZUEIOCDOF-RDTXWAMCSA-N 2 1 290.426 3.104 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015208 804642643 /nfs/dbraw/zinc/64/26/43/804642643.db2.gz NIXFZLUTSTXDQK-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015208 804642646 /nfs/dbraw/zinc/64/26/46/804642646.db2.gz NIXFZLUTSTXDQK-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)C1 ZINC001247016130 804643084 /nfs/dbraw/zinc/64/30/84/804643084.db2.gz RTEQCAXLOPPFRX-GDBMZVCRSA-N 2 1 270.420 3.270 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2ccccc2C(C)(C)[NH3+])C1 ZINC001165290701 806989116 /nfs/dbraw/zinc/98/91/16/806989116.db2.gz XAXMGUUJWCHVLA-AWEZNQCLSA-N 2 1 275.440 3.024 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c2cc[nH]c21 ZINC001248818603 805005163 /nfs/dbraw/zinc/00/51/63/805005163.db2.gz STRGTNJUFXCWAY-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001154986813 805519301 /nfs/dbraw/zinc/51/93/01/805519301.db2.gz UMSTUQWAVGWJFN-OLZOCXBDSA-N 2 1 299.422 3.228 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2ccccc21 ZINC001155019009 805523916 /nfs/dbraw/zinc/52/39/16/805523916.db2.gz BUXJAQLYFFAWFV-HIFRSBDPSA-N 2 1 269.392 3.282 20 0 CGADMP CCC[N@@H+](CC1CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256854930 806992852 /nfs/dbraw/zinc/99/28/52/806992852.db2.gz AKEOHQHFPKIVFQ-UHFFFAOYSA-N 2 1 273.424 3.172 20 0 CGADMP Cc1ccc2cc[nH+]c(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c2c1 ZINC001165433388 807002887 /nfs/dbraw/zinc/00/28/87/807002887.db2.gz VZFWXMZADGIMLN-ZBFHGGJFSA-N 2 1 299.393 3.056 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001257220427 807066021 /nfs/dbraw/zinc/06/60/21/807066021.db2.gz OXOKXBLFWMXBCF-GOSISDBHSA-N 2 1 288.435 3.013 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001257220427 807066029 /nfs/dbraw/zinc/06/60/29/807066029.db2.gz OXOKXBLFWMXBCF-GOSISDBHSA-N 2 1 288.435 3.013 20 0 CGADMP CC(C)[NH+]1CCC([NH+]2CC3(C2)CCCCC3)CC1 ZINC001257221692 807066477 /nfs/dbraw/zinc/06/64/77/807066477.db2.gz DBMBFFBEDQLOQZ-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257321966 807106376 /nfs/dbraw/zinc/10/63/76/807106376.db2.gz PBJZULQVJBUMDX-CABCVRRESA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257321966 807106381 /nfs/dbraw/zinc/10/63/81/807106381.db2.gz PBJZULQVJBUMDX-CABCVRRESA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257321966 807106385 /nfs/dbraw/zinc/10/63/85/807106385.db2.gz PBJZULQVJBUMDX-CABCVRRESA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257321966 807106386 /nfs/dbraw/zinc/10/63/86/807106386.db2.gz PBJZULQVJBUMDX-CABCVRRESA-N 2 1 292.471 3.289 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257350014 807117678 /nfs/dbraw/zinc/11/76/78/807117678.db2.gz IKFGKZQTBHDMRW-ROUUACIJSA-N 2 1 284.447 3.301 20 0 CGADMP Cc1ccc2c(ccc(C)c2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001167100893 807150492 /nfs/dbraw/zinc/15/04/92/807150492.db2.gz QBHUFIIMQOKCFJ-CALCHBBNSA-N 2 1 280.415 3.108 20 0 CGADMP CCCCC[C@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257509162 807185787 /nfs/dbraw/zinc/18/57/87/807185787.db2.gz CWRFYTUMQOUUEG-AWEZNQCLSA-N 2 1 281.444 3.085 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001167826789 807255639 /nfs/dbraw/zinc/25/56/39/807255639.db2.gz RKCQGZCOBROTFA-KBPBESRZSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C2CCCC2)CC1 ZINC001167825439 807256513 /nfs/dbraw/zinc/25/65/13/807256513.db2.gz IZZQIXNMNGFMKD-QGZVFWFLSA-N 2 1 295.515 3.057 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccncc32)CC1 ZINC001258008645 807265424 /nfs/dbraw/zinc/26/54/24/807265424.db2.gz BFTKOAJNIJONDQ-GOSISDBHSA-N 2 1 287.451 3.169 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](CC2CC2)C(C)C)CC1 ZINC001258014535 807266607 /nfs/dbraw/zinc/26/66/07/807266607.db2.gz MMBWMPDBFNJJDG-UHFFFAOYSA-N 2 1 252.446 3.227 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167956122 807283926 /nfs/dbraw/zinc/28/39/26/807283926.db2.gz JSPAIRULDIDLOQ-UHZRXMQZSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167956122 807283931 /nfs/dbraw/zinc/28/39/31/807283931.db2.gz JSPAIRULDIDLOQ-UHZRXMQZSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167956122 807283933 /nfs/dbraw/zinc/28/39/33/807283933.db2.gz JSPAIRULDIDLOQ-UHZRXMQZSA-N 2 1 296.458 3.239 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccncc1 ZINC001167960516 807285797 /nfs/dbraw/zinc/28/57/97/807285797.db2.gz ZTALWQSJHMJLIM-TZUVLKIQSA-N 2 1 285.435 3.138 20 0 CGADMP c1cncc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167965688 807289034 /nfs/dbraw/zinc/28/90/34/807289034.db2.gz KUHCYFYSMJVSKX-YQQQUEKLSA-N 2 1 299.462 3.009 20 0 CGADMP CC1(C)CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167981651 807290829 /nfs/dbraw/zinc/29/08/29/807290829.db2.gz DBUMLPANHMMAHN-ALOPSCKCSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001168142417 807323575 /nfs/dbraw/zinc/32/35/75/807323575.db2.gz CRAPJCDNYRVAGM-CRAIPNDOSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001258176385 807341211 /nfs/dbraw/zinc/34/12/11/807341211.db2.gz SSTIRDKBZGVHQQ-MAUKXSAKSA-N 2 1 286.419 3.493 20 0 CGADMP CSCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258199601 807360095 /nfs/dbraw/zinc/36/00/95/807360095.db2.gz IQULGNVUUMMGRZ-WBVHZDCISA-N 2 1 292.492 3.240 20 0 CGADMP C1C[NH+](C2CC[NH+](C3CCCCCCC3)CC2)C1 ZINC001258241598 807385529 /nfs/dbraw/zinc/38/55/29/807385529.db2.gz JLQBDHIGKUMUKH-UHFFFAOYSA-N 2 1 250.430 3.269 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001168334936 807388157 /nfs/dbraw/zinc/38/81/57/807388157.db2.gz ZZJOGBSMQFKOPG-HTWSVDAQSA-N 2 1 272.436 3.479 20 0 CGADMP CC1(C)CCC[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C1 ZINC001258279593 807391581 /nfs/dbraw/zinc/39/15/81/807391581.db2.gz KTNRPVVEDXDPOP-MRXNPFEDSA-N 2 1 287.451 3.300 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCCC(C)(C)C2)CC1 ZINC001258290034 807399896 /nfs/dbraw/zinc/39/98/96/807399896.db2.gz RAWZPMGJUUHHQB-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCCC(C)(C)C2)CC1 ZINC001258290034 807399905 /nfs/dbraw/zinc/39/99/05/807399905.db2.gz RAWZPMGJUUHHQB-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168392820 807402481 /nfs/dbraw/zinc/40/24/81/807402481.db2.gz UYXZJTBIZDCQEK-LJQANCHMSA-N 2 1 298.474 3.425 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168402823 807406313 /nfs/dbraw/zinc/40/63/13/807406313.db2.gz GZEHQIQDOJDTPI-RDTXWAMCSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)CC1CC1 ZINC001258453489 807459520 /nfs/dbraw/zinc/45/95/20/807459520.db2.gz AZZBMWHERDOTRM-CABCVRRESA-N 2 1 260.425 3.272 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)CC2CC2)CC1 ZINC001258460927 807464172 /nfs/dbraw/zinc/46/41/72/807464172.db2.gz MBBUYXUXKSGZLG-CYBMUJFWSA-N 2 1 273.424 3.117 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001258533665 807488707 /nfs/dbraw/zinc/48/87/07/807488707.db2.gz FHJCFGNFRIRZTR-OFLPRAFFSA-N 2 1 264.457 3.373 20 0 CGADMP CCCCc1nc(NCC(C)(C)C[NH+](C)C)cc(C)[nH+]1 ZINC001168766708 807507941 /nfs/dbraw/zinc/50/79/41/807507941.db2.gz QPFITZKJCACSLL-UHFFFAOYSA-N 2 1 278.444 3.127 20 0 CGADMP CCC[C@H](Cc1ccccc1)n1cc[nH+]c1CCC[NH3+] ZINC001258654219 807524807 /nfs/dbraw/zinc/52/48/07/807524807.db2.gz KLYYDWUEVNDHOJ-MRXNPFEDSA-N 2 1 271.408 3.358 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC001169080369 807569101 /nfs/dbraw/zinc/56/91/01/807569101.db2.gz MWJQCKIWMWTBQQ-MHORFTMASA-N 2 1 270.420 3.353 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccccc1)C2 ZINC001169081067 807569585 /nfs/dbraw/zinc/56/95/85/807569585.db2.gz PKMPKBODICMERB-PHZGNYQRSA-N 2 1 258.409 3.137 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169108669 807579617 /nfs/dbraw/zinc/57/96/17/807579617.db2.gz UXSVYCHMRZAAFU-IVSAIRAKSA-N 2 1 286.419 3.033 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169108669 807579619 /nfs/dbraw/zinc/57/96/19/807579619.db2.gz UXSVYCHMRZAAFU-IVSAIRAKSA-N 2 1 286.419 3.033 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1cccc(Cl)c1 ZINC001258737854 807583830 /nfs/dbraw/zinc/58/38/30/807583830.db2.gz IGHSDSISZLVOLT-ZDUSSCGKSA-N 2 1 268.832 3.332 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(C)(C)C)CC1)C2 ZINC001169124473 807584734 /nfs/dbraw/zinc/58/47/34/807584734.db2.gz DAJSVLHPJRXEIV-ZSHCYNCHSA-N 2 1 264.457 3.370 20 0 CGADMP COc1cccc([C@H](C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169123413 807585378 /nfs/dbraw/zinc/58/53/78/807585378.db2.gz LAKWCZNJZXVWRP-MXASKKJJSA-N 2 1 288.435 3.014 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC001169127922 807585913 /nfs/dbraw/zinc/58/59/13/807585913.db2.gz AMXUHCXGORMJST-REPLKXPHSA-N 2 1 284.447 3.491 20 0 CGADMP CCC[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139906 807588585 /nfs/dbraw/zinc/58/85/85/807588585.db2.gz GAHXTAPIMAYXFI-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139906 807588588 /nfs/dbraw/zinc/58/85/88/807588588.db2.gz GAHXTAPIMAYXFI-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139906 807588592 /nfs/dbraw/zinc/58/85/92/807588592.db2.gz GAHXTAPIMAYXFI-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139906 807588595 /nfs/dbraw/zinc/58/85/95/807588595.db2.gz GAHXTAPIMAYXFI-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001169148462 807592325 /nfs/dbraw/zinc/59/23/25/807592325.db2.gz ZLNXIIUKWOBMSI-BPKGMFCQSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001169148462 807592331 /nfs/dbraw/zinc/59/23/31/807592331.db2.gz ZLNXIIUKWOBMSI-BPKGMFCQSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001169148462 807592337 /nfs/dbraw/zinc/59/23/37/807592337.db2.gz ZLNXIIUKWOBMSI-BPKGMFCQSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001169148462 807592342 /nfs/dbraw/zinc/59/23/42/807592342.db2.gz ZLNXIIUKWOBMSI-BPKGMFCQSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH2+]CCc1cn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169155529 807596846 /nfs/dbraw/zinc/59/68/46/807596846.db2.gz QJYJVZWOHXIJDS-FVQHAEBGSA-N 2 1 297.446 3.201 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccnc(F)c2)C2CC2)CC1 ZINC001258770549 807604290 /nfs/dbraw/zinc/60/42/90/807604290.db2.gz MGMJLRZJOINBNC-KRWDZBQOSA-N 2 1 291.414 3.136 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC001169230100 807609385 /nfs/dbraw/zinc/60/93/85/807609385.db2.gz PXGQVQXUMNDPRV-INIZCTEOSA-N 2 1 278.827 3.401 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001169244242 807612428 /nfs/dbraw/zinc/61/24/28/807612428.db2.gz JEYBZRYGDGKHSJ-JKSUJKDBSA-N 2 1 278.827 3.270 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)c2cccc(C)c2)CC1 ZINC001169240002 807612862 /nfs/dbraw/zinc/61/28/62/807612862.db2.gz APLDUVPZBXBBGF-UHFFFAOYSA-N 2 1 260.425 3.304 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1C(CC(C)C)CC(C)C ZINC001258831918 807647149 /nfs/dbraw/zinc/64/71/49/807647149.db2.gz VDGQBJIRYGJPLB-UHFFFAOYSA-N 2 1 251.418 3.326 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258839273 807652325 /nfs/dbraw/zinc/65/23/25/807652325.db2.gz UVOWLEQXGBDXPH-FJIDUMEYSA-N 2 1 272.436 3.223 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258839274 807652567 /nfs/dbraw/zinc/65/25/67/807652567.db2.gz UVOWLEQXGBDXPH-ZJPYXAASSA-N 2 1 272.436 3.223 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1ccccc1OC)C1CCN(C)CC1 ZINC001258893094 807665872 /nfs/dbraw/zinc/66/58/72/807665872.db2.gz YMMPNQOKJVPRDN-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001258908094 807672184 /nfs/dbraw/zinc/67/21/84/807672184.db2.gz RCGRXVMSWMTJPD-KGLIPLIRSA-N 2 1 276.415 3.474 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261483147 807748571 /nfs/dbraw/zinc/74/85/71/807748571.db2.gz KDJAKAJTAOMZKA-YWEYNIOJSA-N 2 1 270.420 3.165 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001170082615 807750688 /nfs/dbraw/zinc/75/06/88/807750688.db2.gz MAJITOQAAQYGQC-OAHLLOKOSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170117360 807764083 /nfs/dbraw/zinc/76/40/83/807764083.db2.gz KPTXMUFIHJOFIA-XOUADPBQSA-N 2 1 250.430 3.299 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001170117371 807764127 /nfs/dbraw/zinc/76/41/27/807764127.db2.gz KUTJNXWAFGTDIW-CZUORRHYSA-N 2 1 276.399 3.264 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170158448 807780168 /nfs/dbraw/zinc/78/01/68/807780168.db2.gz OPYLHMZSZQAIEB-GDAAHCPNSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170158448 807780170 /nfs/dbraw/zinc/78/01/70/807780170.db2.gz OPYLHMZSZQAIEB-GDAAHCPNSA-N 2 1 284.447 3.239 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170158448 807780172 /nfs/dbraw/zinc/78/01/72/807780172.db2.gz OPYLHMZSZQAIEB-GDAAHCPNSA-N 2 1 284.447 3.239 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCOCC2CC2)C1)C1CCCC1 ZINC001261890810 807799101 /nfs/dbraw/zinc/79/91/01/807799101.db2.gz POCKIOKLIPXRJH-FUHWJXTLSA-N 2 1 294.483 3.033 20 0 CGADMP CC[N@@H+]1C[C@H]2CN([C@@H](C)Cc3ccccc3Cl)C[C@H]2C1 ZINC001170296090 807818008 /nfs/dbraw/zinc/81/80/08/807818008.db2.gz YTFOAPDTUXPKNK-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3Cl)C[C@@H]2C1 ZINC001170296090 807818017 /nfs/dbraw/zinc/81/80/17/807818017.db2.gz YTFOAPDTUXPKNK-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3Cl)C[C@@H]2C1 ZINC001170296090 807818026 /nfs/dbraw/zinc/81/80/26/807818026.db2.gz YTFOAPDTUXPKNK-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccccc3Cl)C[C@@H]2C1 ZINC001170296090 807818034 /nfs/dbraw/zinc/81/80/34/807818034.db2.gz YTFOAPDTUXPKNK-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccccc3Cl)C[C@@H]2C1 ZINC001170296090 807818043 /nfs/dbraw/zinc/81/80/43/807818043.db2.gz YTFOAPDTUXPKNK-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170729525 807890362 /nfs/dbraw/zinc/89/03/62/807890362.db2.gz CQNNXFCZACPDIE-DARAHFNDSA-N 2 1 264.457 3.274 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170729525 807890369 /nfs/dbraw/zinc/89/03/69/807890369.db2.gz CQNNXFCZACPDIE-DARAHFNDSA-N 2 1 264.457 3.274 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171018261 807961435 /nfs/dbraw/zinc/96/14/35/807961435.db2.gz QIXRVIAXJHYLCM-HUUCEWRRSA-N 2 1 292.854 3.271 20 0 CGADMP CO[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC001171644812 808111697 /nfs/dbraw/zinc/11/16/97/808111697.db2.gz PDKRYZRMOWCGCN-UKRRQHHQSA-N 2 1 282.472 3.137 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001171665158 808117148 /nfs/dbraw/zinc/11/71/48/808117148.db2.gz LDBJUESTQGHMKB-RYRKJORJSA-N 2 1 274.452 3.246 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001171665158 808117152 /nfs/dbraw/zinc/11/71/52/808117152.db2.gz LDBJUESTQGHMKB-RYRKJORJSA-N 2 1 274.452 3.246 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001171752190 808131316 /nfs/dbraw/zinc/13/13/16/808131316.db2.gz QQSVFYVUXQZJMU-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)[C@H](C)C1 ZINC001171790528 808140680 /nfs/dbraw/zinc/14/06/80/808140680.db2.gz NIXJVABISOXHLC-DDUZABMNSA-N 2 1 290.426 3.001 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967418 808161457 /nfs/dbraw/zinc/16/14/57/808161457.db2.gz ZQHGOTUJBIHYEL-HYVNUMGLSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001172100971 808172637 /nfs/dbraw/zinc/17/26/37/808172637.db2.gz VKVGVGRVWIMZPM-FQUUOJAGSA-N 2 1 264.438 3.414 20 0 CGADMP Cc1csc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172102764 808174077 /nfs/dbraw/zinc/17/40/77/808174077.db2.gz OUQUUUVJTPFKIC-SYQHCUMBSA-N 2 1 279.453 3.117 20 0 CGADMP Cc1csc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172102764 808174078 /nfs/dbraw/zinc/17/40/78/808174078.db2.gz OUQUUUVJTPFKIC-SYQHCUMBSA-N 2 1 279.453 3.117 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C/C=C/c1ccccc1)C2 ZINC001172102280 808174351 /nfs/dbraw/zinc/17/43/51/808174351.db2.gz LPGQSPHVDFFGPB-RGKVLUKRSA-N 2 1 270.420 3.305 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172106214 808177258 /nfs/dbraw/zinc/17/72/58/808177258.db2.gz NOCAQMTVSLWGCZ-BMFAXAFESA-N 2 1 299.462 3.446 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc3cnccc31)C2 ZINC001172108912 808178258 /nfs/dbraw/zinc/17/82/58/808178258.db2.gz ABCZNXYLCFUUQU-BCDXTJNWSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCc3ccccc3C1)C2 ZINC001172111306 808178427 /nfs/dbraw/zinc/17/84/27/808178427.db2.gz PVBFJIIQYIMSKN-GEALJGNFSA-N 2 1 298.474 3.396 20 0 CGADMP COc1ccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172120068 808183625 /nfs/dbraw/zinc/18/36/25/808183625.db2.gz JLJLJBJJGWTCSV-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172120068 808183629 /nfs/dbraw/zinc/18/36/29/808183629.db2.gz JLJLJBJJGWTCSV-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172120068 808183631 /nfs/dbraw/zinc/18/36/31/808183631.db2.gz JLJLJBJJGWTCSV-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172120068 808183634 /nfs/dbraw/zinc/18/36/34/808183634.db2.gz JLJLJBJJGWTCSV-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001172120953 808183852 /nfs/dbraw/zinc/18/38/52/808183852.db2.gz AKDFKOBKNMYTQT-RDGPPVDQSA-N 2 1 299.462 3.104 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001172120953 808183858 /nfs/dbraw/zinc/18/38/58/808183858.db2.gz AKDFKOBKNMYTQT-RDGPPVDQSA-N 2 1 299.462 3.104 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001172120953 808183864 /nfs/dbraw/zinc/18/38/64/808183864.db2.gz AKDFKOBKNMYTQT-RDGPPVDQSA-N 2 1 299.462 3.104 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001172120953 808183868 /nfs/dbraw/zinc/18/38/68/808183868.db2.gz AKDFKOBKNMYTQT-RDGPPVDQSA-N 2 1 299.462 3.104 20 0 CGADMP C[C@H]1CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122246 808184307 /nfs/dbraw/zinc/18/43/07/808184307.db2.gz YHQPREGKDJRNCW-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122246 808184308 /nfs/dbraw/zinc/18/43/08/808184308.db2.gz YHQPREGKDJRNCW-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172122246 808184311 /nfs/dbraw/zinc/18/43/11/808184311.db2.gz YHQPREGKDJRNCW-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172122246 808184314 /nfs/dbraw/zinc/18/43/14/808184314.db2.gz YHQPREGKDJRNCW-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP COc1cccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172122738 808185605 /nfs/dbraw/zinc/18/56/05/808185605.db2.gz TZHNECLXDBTIBE-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1cccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172122738 808185607 /nfs/dbraw/zinc/18/56/07/808185607.db2.gz TZHNECLXDBTIBE-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1cccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172122738 808185609 /nfs/dbraw/zinc/18/56/09/808185609.db2.gz TZHNECLXDBTIBE-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1Cc3cccc(F)c3C1)C2 ZINC001172124558 808185929 /nfs/dbraw/zinc/18/59/29/808185929.db2.gz LLMBHBIUPZUKHN-FICVDOATSA-N 2 1 274.383 3.157 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cccc(F)c3C1)C2 ZINC001172124558 808185930 /nfs/dbraw/zinc/18/59/30/808185930.db2.gz LLMBHBIUPZUKHN-FICVDOATSA-N 2 1 274.383 3.157 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cccc(F)c3C1)C2 ZINC001172124558 808185931 /nfs/dbraw/zinc/18/59/31/808185931.db2.gz LLMBHBIUPZUKHN-FICVDOATSA-N 2 1 274.383 3.157 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3cccc(F)c3C1)C2 ZINC001172124558 808185934 /nfs/dbraw/zinc/18/59/34/808185934.db2.gz LLMBHBIUPZUKHN-FICVDOATSA-N 2 1 274.383 3.157 20 0 CGADMP COCCC[NH+]1CCC([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001172252584 808209958 /nfs/dbraw/zinc/20/99/58/808209958.db2.gz QDJPAGCWZIVUMP-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP CC(C)(C)C[N@@H+]([C@@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172281436 808213982 /nfs/dbraw/zinc/21/39/82/808213982.db2.gz UFJRSGRDFQAAGM-KKUMJFAQSA-N 2 1 282.472 3.172 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172347294 808245699 /nfs/dbraw/zinc/24/56/99/808245699.db2.gz FCACUDYBMQJKJY-IKGGRYGDSA-N 2 1 284.488 3.421 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001172346505 808245862 /nfs/dbraw/zinc/24/58/62/808245862.db2.gz CLASFPXHEWFMRW-QZWWFDLISA-N 2 1 284.488 3.289 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@H]1C ZINC001172366046 808261223 /nfs/dbraw/zinc/26/12/23/808261223.db2.gz DNQSAROKAPTPRH-DTDBQYNISA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@H]1C ZINC001172366046 808261230 /nfs/dbraw/zinc/26/12/30/808261230.db2.gz DNQSAROKAPTPRH-DTDBQYNISA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001172376317 808269638 /nfs/dbraw/zinc/26/96/38/808269638.db2.gz ZQGXITIPCDAFQZ-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172463926 808333379 /nfs/dbraw/zinc/33/33/79/808333379.db2.gz WFSPBKRXYHZCDI-AEFFLSMTSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172463926 808333388 /nfs/dbraw/zinc/33/33/88/808333388.db2.gz WFSPBKRXYHZCDI-AEFFLSMTSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2ccc(C)cc2C1 ZINC001172841830 808456810 /nfs/dbraw/zinc/45/68/10/808456810.db2.gz IAUVMPATJWGDGY-SFHVURJKSA-N 2 1 274.452 3.126 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929936 808485707 /nfs/dbraw/zinc/48/57/07/808485707.db2.gz PFEYIHVSARXOAU-VDHUWJSZSA-N 2 1 294.483 3.459 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)CC1 ZINC001173109076 808511998 /nfs/dbraw/zinc/51/19/98/808511998.db2.gz FNKFOJVSMJLLDL-NRNWYNIKSA-N 2 1 294.483 3.139 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001173114418 808513168 /nfs/dbraw/zinc/51/31/68/808513168.db2.gz JGFUZAAMOFLJAK-FHERZECASA-N 2 1 270.436 3.321 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCOC(C)(C)C2)CC1 ZINC001173114784 808514750 /nfs/dbraw/zinc/51/47/50/808514750.db2.gz SMLVAQWXHJCGOK-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)C1CCC(Oc2ccccc2)CC1 ZINC001173201103 808535973 /nfs/dbraw/zinc/53/59/73/808535973.db2.gz YKTSXFHPUILKKJ-UHFFFAOYSA-N 2 1 290.451 3.260 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001173243560 808552535 /nfs/dbraw/zinc/55/25/35/808552535.db2.gz JEEGMODNSDGGCV-OAHLLOKOSA-N 2 1 286.463 3.396 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001173247277 808554848 /nfs/dbraw/zinc/55/48/48/808554848.db2.gz OANOGICQOUCLNZ-LPHOPBHVSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(C[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001173247277 808554856 /nfs/dbraw/zinc/55/48/56/808554856.db2.gz OANOGICQOUCLNZ-LPHOPBHVSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(C[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001173247277 808554860 /nfs/dbraw/zinc/55/48/60/808554860.db2.gz OANOGICQOUCLNZ-LPHOPBHVSA-N 2 1 286.463 3.208 20 0 CGADMP CC[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)C1 ZINC001173288561 808588331 /nfs/dbraw/zinc/58/83/31/808588331.db2.gz NNGHIBYERAICQA-NJAFHUGGSA-N 2 1 294.483 3.140 20 0 CGADMP CCSC[C@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001173304472 808602137 /nfs/dbraw/zinc/60/21/37/808602137.db2.gz OOLWZCSCHNRZFP-AWEZNQCLSA-N 2 1 293.480 3.070 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173344264 808622951 /nfs/dbraw/zinc/62/29/51/808622951.db2.gz UHJJQTKIUTWMDL-BBWFWOEESA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173344264 808622954 /nfs/dbraw/zinc/62/29/54/808622954.db2.gz UHJJQTKIUTWMDL-BBWFWOEESA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173344264 808622958 /nfs/dbraw/zinc/62/29/58/808622958.db2.gz UHJJQTKIUTWMDL-BBWFWOEESA-N 2 1 276.468 3.373 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3c[nH]c4ccccc34)C2)C1 ZINC001275046995 808899854 /nfs/dbraw/zinc/89/98/54/808899854.db2.gz MCNQZSZTDCXKDB-IBGZPJMESA-N 2 1 297.446 3.128 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3c[nH]c4ccccc34)C2)C1 ZINC001275046995 808899857 /nfs/dbraw/zinc/89/98/57/808899857.db2.gz MCNQZSZTDCXKDB-IBGZPJMESA-N 2 1 297.446 3.128 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3c[nH]c4ccccc34)C2)C1 ZINC001275046995 808899863 /nfs/dbraw/zinc/89/98/63/808899863.db2.gz MCNQZSZTDCXKDB-IBGZPJMESA-N 2 1 297.446 3.128 20 0 CGADMP CC(C)C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001275056765 808902441 /nfs/dbraw/zinc/90/24/41/808902441.db2.gz YEUVXHULXHGPIT-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP C(C1CC1)[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001275138473 808915236 /nfs/dbraw/zinc/91/52/36/808915236.db2.gz QTIVRRUMJUFMTO-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP Cc1cc(O)cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001275593526 808950287 /nfs/dbraw/zinc/95/02/87/808950287.db2.gz BOLSESUZVSQRJC-UHFFFAOYSA-N 2 1 288.435 3.008 20 0 CGADMP c1c[nH]c(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275855939 808971317 /nfs/dbraw/zinc/97/13/17/808971317.db2.gz SEHFHBSTVZKLHV-IYBDPMFKSA-N 2 1 287.451 3.101 20 0 CGADMP c1c[nH]c(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275855939 808971318 /nfs/dbraw/zinc/97/13/18/808971318.db2.gz SEHFHBSTVZKLHV-IYBDPMFKSA-N 2 1 287.451 3.101 20 0 CGADMP c1c[nH]c(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275855939 808971320 /nfs/dbraw/zinc/97/13/20/808971320.db2.gz SEHFHBSTVZKLHV-IYBDPMFKSA-N 2 1 287.451 3.101 20 0 CGADMP c1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccoc4)(C2)CCC3)c1 ZINC001275943811 808979220 /nfs/dbraw/zinc/97/92/20/808979220.db2.gz SWDPXLUIWFRGQA-MSOLQXFVSA-N 2 1 299.418 3.333 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4cnccc43)C[C@H]2CC1 ZINC001275960196 808979257 /nfs/dbraw/zinc/97/92/57/808979257.db2.gz QAGBNUJGCCPPEQ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4cnccc43)C[C@H]2CC1 ZINC001275960196 808979258 /nfs/dbraw/zinc/97/92/58/808979258.db2.gz QAGBNUJGCCPPEQ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4cnccc43)C[C@H]2CC1 ZINC001275960196 808979261 /nfs/dbraw/zinc/97/92/61/808979261.db2.gz QAGBNUJGCCPPEQ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)ccc1F ZINC001276229955 808994741 /nfs/dbraw/zinc/99/47/41/808994741.db2.gz KWBYVTMVWYVPCB-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP C[N@H+]1CCCC2(CCN(Cc3scnc3Cl)CC2)C1 ZINC001276349034 809004074 /nfs/dbraw/zinc/00/40/74/809004074.db2.gz GKGUPLMRBBRAEN-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3scnc3Cl)CC2)C1 ZINC001276349034 809004082 /nfs/dbraw/zinc/00/40/82/809004082.db2.gz GKGUPLMRBBRAEN-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3scnc3Cl)CC2)C1 ZINC001276349034 809004089 /nfs/dbraw/zinc/00/40/89/809004089.db2.gz GKGUPLMRBBRAEN-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP C[C@H](C[NH+]1CCC2(CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001276436997 809008595 /nfs/dbraw/zinc/00/85/95/809008595.db2.gz VPQRWEJQPUNNAK-MRXNPFEDSA-N 2 1 272.436 3.208 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276465331 809011790 /nfs/dbraw/zinc/01/17/90/809011790.db2.gz GPNAUTNNRLBGRI-YIEVGGLXSA-N 2 1 250.430 3.151 20 0 CGADMP CC/C=C\CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276465331 809011798 /nfs/dbraw/zinc/01/17/98/809011798.db2.gz GPNAUTNNRLBGRI-YIEVGGLXSA-N 2 1 250.430 3.151 20 0 CGADMP CC/C=C\CCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276465331 809011806 /nfs/dbraw/zinc/01/18/06/809011806.db2.gz GPNAUTNNRLBGRI-YIEVGGLXSA-N 2 1 250.430 3.151 20 0 CGADMP CC(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277887099 809103302 /nfs/dbraw/zinc/10/33/02/809103302.db2.gz BZBNJMGQNJNKMA-HNNXBMFYSA-N 2 1 292.467 3.085 20 0 CGADMP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c1 ZINC001277930458 809106372 /nfs/dbraw/zinc/10/63/72/809106372.db2.gz KNTCDQMLQHWYIT-ZXFUBFMLSA-N 2 1 273.424 3.042 20 0 CGADMP Cc1cnc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(C)c1 ZINC001278306560 809124772 /nfs/dbraw/zinc/12/47/72/809124772.db2.gz IYWVRCPTYPOIAT-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cnc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(C)c1 ZINC001278306560 809124776 /nfs/dbraw/zinc/12/47/76/809124776.db2.gz IYWVRCPTYPOIAT-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cnc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(C)c1 ZINC001278306560 809124778 /nfs/dbraw/zinc/12/47/78/809124778.db2.gz IYWVRCPTYPOIAT-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cnc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(C)c1 ZINC001278306560 809124783 /nfs/dbraw/zinc/12/47/83/809124783.db2.gz IYWVRCPTYPOIAT-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cnc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(C)c1 ZINC001278306562 809125260 /nfs/dbraw/zinc/12/52/60/809125260.db2.gz IYWVRCPTYPOIAT-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cnc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(C)c1 ZINC001278306562 809125265 /nfs/dbraw/zinc/12/52/65/809125265.db2.gz IYWVRCPTYPOIAT-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cnc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(C)c1 ZINC001278306562 809125271 /nfs/dbraw/zinc/12/52/71/809125271.db2.gz IYWVRCPTYPOIAT-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cnc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(C)c1 ZINC001278306562 809125278 /nfs/dbraw/zinc/12/52/78/809125278.db2.gz IYWVRCPTYPOIAT-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[C@H](C)C1 ZINC001175203475 809307361 /nfs/dbraw/zinc/30/73/61/809307361.db2.gz OQHFUBRKWMOSIA-FUHWJXTLSA-N 2 1 296.499 3.103 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2scnc2c1 ZINC001177093012 809780098 /nfs/dbraw/zinc/78/00/98/809780098.db2.gz NARLHJHUZBXTCN-UHFFFAOYSA-N 2 1 277.437 3.118 20 0 CGADMP CC[C@@H](C)C[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001177256845 809790200 /nfs/dbraw/zinc/79/02/00/809790200.db2.gz OKSODPRHUGMTML-GDBMZVCRSA-N 2 1 254.462 3.379 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001177294046 809792221 /nfs/dbraw/zinc/79/22/21/809792221.db2.gz CPVSMFPBXBTCPV-KBAYOESNSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C1CCC(C2CCC2)CC1)C1CC1 ZINC001177337258 809795515 /nfs/dbraw/zinc/79/55/15/809795515.db2.gz BHBFMCDRZAVDQE-PREGVCBESA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001177474644 809800049 /nfs/dbraw/zinc/80/00/49/809800049.db2.gz DCQCWOLTRZGCTC-MTSZKFMLSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001177474644 809800053 /nfs/dbraw/zinc/80/00/53/809800053.db2.gz DCQCWOLTRZGCTC-MTSZKFMLSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001177474647 809800729 /nfs/dbraw/zinc/80/07/29/809800729.db2.gz DCQCWOLTRZGCTC-OVYGPGRDSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001177474647 809800734 /nfs/dbraw/zinc/80/07/34/809800734.db2.gz DCQCWOLTRZGCTC-OVYGPGRDSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C[NH2+]Cc1cc(O)cc(Cl)c1)C[NH+]1CCCC1 ZINC001178619881 809880257 /nfs/dbraw/zinc/88/02/57/809880257.db2.gz FUSJATPMCXFKCZ-UHFFFAOYSA-N 2 1 296.842 3.257 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC001179816700 809948258 /nfs/dbraw/zinc/94/82/58/809948258.db2.gz MVIMZWAKKMAYPT-OUCADQQQSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC001179816700 809948264 /nfs/dbraw/zinc/94/82/64/809948264.db2.gz MVIMZWAKKMAYPT-OUCADQQQSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3Cl)[C@H]2C1 ZINC001179816696 809949119 /nfs/dbraw/zinc/94/91/19/809949119.db2.gz MVIMZWAKKMAYPT-OBJOEFQTSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3Cl)[C@H]2C1 ZINC001179816696 809949121 /nfs/dbraw/zinc/94/91/21/809949121.db2.gz MVIMZWAKKMAYPT-OBJOEFQTSA-N 2 1 299.245 3.423 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCOc3ccccc3[C@@H]2C)CC1 ZINC001180166994 809981087 /nfs/dbraw/zinc/98/10/87/809981087.db2.gz YKXJGIBKISGNLQ-HNNXBMFYSA-N 2 1 288.435 3.174 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC001182152194 810095552 /nfs/dbraw/zinc/09/55/52/810095552.db2.gz KNPYJFUKTDZFIT-CQSZACIVSA-N 2 1 266.404 3.078 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC001182152194 810095554 /nfs/dbraw/zinc/09/55/54/810095554.db2.gz KNPYJFUKTDZFIT-CQSZACIVSA-N 2 1 266.404 3.078 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001182308029 810103506 /nfs/dbraw/zinc/10/35/06/810103506.db2.gz DVTJSSBIQQCTAT-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001182308029 810103511 /nfs/dbraw/zinc/10/35/11/810103511.db2.gz DVTJSSBIQQCTAT-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197368005 811421666 /nfs/dbraw/zinc/42/16/66/811421666.db2.gz CKQFPDYOTZGDKL-LSDHHAIUSA-N 2 1 299.393 3.492 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001198289037 811489858 /nfs/dbraw/zinc/48/98/58/811489858.db2.gz KTCOMGWVXBRUQQ-IRXDYDNUSA-N 2 1 273.424 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001198289037 811489864 /nfs/dbraw/zinc/48/98/64/811489864.db2.gz KTCOMGWVXBRUQQ-IRXDYDNUSA-N 2 1 273.424 3.092 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2C)C1 ZINC001199843591 811601953 /nfs/dbraw/zinc/60/19/53/811601953.db2.gz PIJOMCAFZAORLF-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)s1 ZINC001200970964 811776888 /nfs/dbraw/zinc/77/68/88/811776888.db2.gz GDQQTUJOEWHSTC-UHFFFAOYSA-N 2 1 296.480 3.036 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC(C)(C)C ZINC001201443800 811850229 /nfs/dbraw/zinc/85/02/29/811850229.db2.gz VIUZQNCFMKVKCX-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC(C)(C)C ZINC001201443800 811850233 /nfs/dbraw/zinc/85/02/33/811850233.db2.gz VIUZQNCFMKVKCX-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC(C)(C)C ZINC001201443800 811850242 /nfs/dbraw/zinc/85/02/42/811850242.db2.gz VIUZQNCFMKVKCX-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001201511382 811877244 /nfs/dbraw/zinc/87/72/44/811877244.db2.gz LDCMOWZDSZMBTD-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201565047 811905505 /nfs/dbraw/zinc/90/55/05/811905505.db2.gz FXBFEBSXJTVHQV-HNNXBMFYSA-N 2 1 295.471 3.333 20 0 CGADMP CC(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201626962 811924296 /nfs/dbraw/zinc/92/42/96/811924296.db2.gz QQDFQGSJWZVJJZ-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201626962 811924303 /nfs/dbraw/zinc/92/43/03/811924303.db2.gz QQDFQGSJWZVJJZ-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201626962 811924309 /nfs/dbraw/zinc/92/43/09/811924309.db2.gz QQDFQGSJWZVJJZ-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001202629719 812141630 /nfs/dbraw/zinc/14/16/30/812141630.db2.gz QRWGPCVWGXDEEU-SOUVJXGZSA-N 2 1 272.502 3.371 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001202629719 812141636 /nfs/dbraw/zinc/14/16/36/812141636.db2.gz QRWGPCVWGXDEEU-SOUVJXGZSA-N 2 1 272.502 3.371 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3ccccc23)CC1 ZINC001204042966 812529612 /nfs/dbraw/zinc/52/96/12/812529612.db2.gz IZUYXFVHYXDRGJ-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3ccccc23)CC1 ZINC001204042966 812529615 /nfs/dbraw/zinc/52/96/15/812529615.db2.gz IZUYXFVHYXDRGJ-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP Oc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001204093381 812548425 /nfs/dbraw/zinc/54/84/25/812548425.db2.gz GKQLFIAFFKCDHX-QGZVFWFLSA-N 2 1 288.435 3.233 20 0 CGADMP Oc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001204093381 812548428 /nfs/dbraw/zinc/54/84/28/812548428.db2.gz GKQLFIAFFKCDHX-QGZVFWFLSA-N 2 1 288.435 3.233 20 0 CGADMP C[N@@H+](CCc1ccccc1)Cc1cc2c(s1)C[NH2+]CC2 ZINC001204604158 812686955 /nfs/dbraw/zinc/68/69/55/812686955.db2.gz BZNGYPNBZTVFGU-UHFFFAOYSA-N 2 1 286.444 3.068 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735494 812720668 /nfs/dbraw/zinc/72/06/68/812720668.db2.gz VTEAUSZFLHBPOA-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204764440 812729553 /nfs/dbraw/zinc/72/95/53/812729553.db2.gz ZQAJEBGFJCBKJS-YJBOKZPZSA-N 2 1 274.452 3.412 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204771989 812732608 /nfs/dbraw/zinc/73/26/08/812732608.db2.gz SEQBTJALIICFLH-HNNXBMFYSA-N 2 1 260.406 3.133 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204771989 812732613 /nfs/dbraw/zinc/73/26/13/812732613.db2.gz SEQBTJALIICFLH-HNNXBMFYSA-N 2 1 260.406 3.133 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001204877461 812760390 /nfs/dbraw/zinc/76/03/90/812760390.db2.gz JTVXNSPHMXFODE-IBGZPJMESA-N 2 1 297.446 3.412 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)c2)cc1 ZINC001204918834 812775425 /nfs/dbraw/zinc/77/54/25/812775425.db2.gz NMIAGSYBSRJIRD-OWZKRDHZSA-N 2 1 292.426 3.299 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)CCC=C(C)C)C1 ZINC001205000287 812816575 /nfs/dbraw/zinc/81/65/75/812816575.db2.gz CFHUBOFPQKKAAU-HZPDHXFCSA-N 2 1 252.446 3.300 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CC=C(C)C2(C)C)C1 ZINC001205000799 812819100 /nfs/dbraw/zinc/81/91/00/812819100.db2.gz KSWMZTNJBKFVNJ-HOTGVXAUSA-N 2 1 264.457 3.300 20 0 CGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)CCO1 ZINC001205007003 812823102 /nfs/dbraw/zinc/82/31/02/812823102.db2.gz BWHYVTJZLRJFEV-IRXDYDNUSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2OC(C)(C)C)C1 ZINC001205018037 812828862 /nfs/dbraw/zinc/82/88/62/812828862.db2.gz QNOBHYQFIUAHGN-HNNXBMFYSA-N 2 1 290.451 3.295 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OC(C)(C)C)C1 ZINC001205018037 812828872 /nfs/dbraw/zinc/82/88/72/812828872.db2.gz QNOBHYQFIUAHGN-HNNXBMFYSA-N 2 1 290.451 3.295 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095587 812860874 /nfs/dbraw/zinc/86/08/74/812860874.db2.gz ZQTWIFDYWPMNNM-JKSUJKDBSA-N 2 1 284.488 3.421 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC001205095548 812861069 /nfs/dbraw/zinc/86/10/69/812861069.db2.gz YQUOBRQWZOMQFB-QGZVFWFLSA-N 2 1 254.377 3.153 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C)c1OC(C)C ZINC001205156482 812890758 /nfs/dbraw/zinc/89/07/58/812890758.db2.gz XPDKVCCJFJRJTF-DOTOQJQBSA-N 2 1 290.451 3.117 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255470 812919247 /nfs/dbraw/zinc/91/92/47/812919247.db2.gz JCOAYWDDVAUPQP-RDJZCZTQSA-N 2 1 284.488 3.157 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1C ZINC001205257932 812919372 /nfs/dbraw/zinc/91/93/72/812919372.db2.gz YRUZNAXTLCKYRX-QGZVFWFLSA-N 2 1 276.424 3.015 20 0 CGADMP CC(=O)n1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c2ccccc21 ZINC001205265147 812922076 /nfs/dbraw/zinc/92/20/76/812922076.db2.gz NSWCIDYSHPNUTQ-GOSISDBHSA-N 2 1 299.418 3.005 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@](C)([NH3+])CC3)c[nH]c21 ZINC001205267002 812923544 /nfs/dbraw/zinc/92/35/44/812923544.db2.gz ZQHZQNPUFMSEHD-SFHVURJKSA-N 2 1 285.435 3.434 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC001205272990 812925206 /nfs/dbraw/zinc/92/52/06/812925206.db2.gz BVRVLEDEQGURTJ-INIZCTEOSA-N 2 1 258.365 3.136 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2coc3ccccc23)CC1 ZINC001205274606 812926035 /nfs/dbraw/zinc/92/60/35/812926035.db2.gz YQUYTTDWCWYBGG-INIZCTEOSA-N 2 1 258.365 3.136 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273865 812926285 /nfs/dbraw/zinc/92/62/85/812926285.db2.gz QKZMLUWCEGGYJQ-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273865 812926290 /nfs/dbraw/zinc/92/62/90/812926290.db2.gz QKZMLUWCEGGYJQ-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC001205303356 812941058 /nfs/dbraw/zinc/94/10/58/812941058.db2.gz CVIHFSQDKONFNA-BEFAXECRSA-N 2 1 295.430 3.165 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205305004 812944439 /nfs/dbraw/zinc/94/44/39/812944439.db2.gz QMCAMWNATFZKCB-YOEHRIQHSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)C[C@@H]1C[NH3+] ZINC001205315352 812947804 /nfs/dbraw/zinc/94/78/04/812947804.db2.gz FDOIYZSNWSPQMA-YPMHNXCESA-N 2 1 291.826 3.238 20 0 CGADMP Cc1nc2cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)ccc2s1 ZINC001205317347 812950711 /nfs/dbraw/zinc/95/07/11/812950711.db2.gz OCORHVFVHGSXDO-BXUZGUMPSA-N 2 1 289.448 3.021 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC001205319377 812952305 /nfs/dbraw/zinc/95/23/05/812952305.db2.gz ZIZQSWVHCQMMHS-DOTOQJQBSA-N 2 1 295.430 3.165 20 0 CGADMP c1c(C[N@H+]2CC[C@H](c3ccccc3)C2)sc2c1CC[NH2+]C2 ZINC001205339691 812963653 /nfs/dbraw/zinc/96/36/53/812963653.db2.gz LKPNNLOWLFITFC-INIZCTEOSA-N 2 1 298.455 3.383 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001205545725 812999002 /nfs/dbraw/zinc/99/90/02/812999002.db2.gz MQIGFAKMRRLHIO-HRCADAONSA-N 2 1 268.420 3.132 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205546826 812999043 /nfs/dbraw/zinc/99/90/43/812999043.db2.gz YXCGMPZOZCDSKK-KRWDZBQOSA-N 2 1 278.415 3.463 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001205545186 812999563 /nfs/dbraw/zinc/99/95/63/812999563.db2.gz AFGGNTPVFWHIRP-OAHLLOKOSA-N 2 1 256.409 3.110 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC001205546366 813000271 /nfs/dbraw/zinc/00/02/71/813000271.db2.gz UJQNTJJPKAGVMO-SFHVURJKSA-N 2 1 286.394 3.493 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205578641 813011083 /nfs/dbraw/zinc/01/10/83/813011083.db2.gz HYTFRDZZKJXESM-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1)c1ccccc1 ZINC001205602273 813017150 /nfs/dbraw/zinc/01/71/50/813017150.db2.gz IEDPCHKJNFJGAR-INMHGKMJSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cccc(F)c23)CC[C@@H]1C[NH3+] ZINC001205616962 813025941 /nfs/dbraw/zinc/02/59/41/813025941.db2.gz HTFMOGUPZZDWPG-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205617386 813026896 /nfs/dbraw/zinc/02/68/96/813026896.db2.gz JHWJHVAOTUNZEZ-SWLSCSKDSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205627544 813033080 /nfs/dbraw/zinc/03/30/80/813033080.db2.gz QKVZLCLCRGGOLL-IUODEOHRSA-N 2 1 282.378 3.431 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205629438 813033680 /nfs/dbraw/zinc/03/36/80/813033680.db2.gz YWCHQPIXLOSQKT-JSGCOSHPSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)c[nH]2)CC[C@@H]1C[NH3+] ZINC001205651359 813041695 /nfs/dbraw/zinc/04/16/95/813041695.db2.gz CXVBMYRQZYMPJP-UONOGXRCSA-N 2 1 277.456 3.119 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)s1 ZINC001205767813 813070884 /nfs/dbraw/zinc/07/08/84/813070884.db2.gz AZPMVTJIEYQTSE-NSHDSACASA-N 2 1 288.407 3.117 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)s1 ZINC001205767813 813070893 /nfs/dbraw/zinc/07/08/93/813070893.db2.gz AZPMVTJIEYQTSE-NSHDSACASA-N 2 1 288.407 3.117 20 0 CGADMP Cc1cccnc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001205793697 813080599 /nfs/dbraw/zinc/08/05/99/813080599.db2.gz ZNNNCQZKTHKQOD-QGZVFWFLSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cccnc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001205793697 813080608 /nfs/dbraw/zinc/08/06/08/813080608.db2.gz ZNNNCQZKTHKQOD-QGZVFWFLSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(C)c1 ZINC001205805042 813086791 /nfs/dbraw/zinc/08/67/91/813086791.db2.gz POCHPYZJFRSZOM-BLLLJJGKSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(C)c1 ZINC001205805042 813086798 /nfs/dbraw/zinc/08/67/98/813086798.db2.gz POCHPYZJFRSZOM-BLLLJJGKSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205814177 813092756 /nfs/dbraw/zinc/09/27/56/813092756.db2.gz BKTMDPMHLRRSGR-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205814177 813092761 /nfs/dbraw/zinc/09/27/61/813092761.db2.gz BKTMDPMHLRRSGR-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205816716 813093584 /nfs/dbraw/zinc/09/35/84/813093584.db2.gz NYBYMRMBYKJQPH-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205816716 813093592 /nfs/dbraw/zinc/09/35/92/813093592.db2.gz NYBYMRMBYKJQPH-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)ccc2c1 ZINC001205901353 813123217 /nfs/dbraw/zinc/12/32/17/813123217.db2.gz COGNAFHWOCHXOH-HOCLYGCPSA-N 2 1 283.419 3.102 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC1 ZINC001205902802 813124228 /nfs/dbraw/zinc/12/42/28/813124228.db2.gz LURBVIZIIAUKPP-JJXSEGSLSA-N 2 1 250.430 3.038 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205902196 813124687 /nfs/dbraw/zinc/12/46/87/813124687.db2.gz IJOJBPWKNABLPO-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001205904427 813125970 /nfs/dbraw/zinc/12/59/70/813125970.db2.gz VDNJPQZTSOKJSW-AAEUAGOBSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001205904427 813125974 /nfs/dbraw/zinc/12/59/74/813125974.db2.gz VDNJPQZTSOKJSW-AAEUAGOBSA-N 2 1 286.341 3.265 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H]3C)cc21 ZINC001205905233 813127467 /nfs/dbraw/zinc/12/74/67/813127467.db2.gz ZKRFZJFXENCRLB-WMLDXEAASA-N 2 1 285.435 3.220 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205912905 813129509 /nfs/dbraw/zinc/12/95/09/813129509.db2.gz DURQEESVXPUNNG-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccn1Cc1ccccc1 ZINC001205915542 813131233 /nfs/dbraw/zinc/13/12/33/813131233.db2.gz PNMFLHNPBDZOPV-SJLPKXTDSA-N 2 1 297.446 3.096 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1coc2ccc(F)cc12 ZINC001205915225 813131380 /nfs/dbraw/zinc/13/13/80/813131380.db2.gz OWVFLZSDCJBYQV-NWDGAFQWSA-N 2 1 276.355 3.131 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205916220 813132690 /nfs/dbraw/zinc/13/26/90/813132690.db2.gz TVYRAOJRQHBKQM-HOTGVXAUSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923036 813136169 /nfs/dbraw/zinc/13/61/69/813136169.db2.gz GYDFSWVJZRQTHX-HZPDHXFCSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205925645 813137385 /nfs/dbraw/zinc/13/73/85/813137385.db2.gz XTUXRHUJOFDOCZ-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205933150 813140518 /nfs/dbraw/zinc/14/05/18/813140518.db2.gz ZEKVPRJEOPAMMY-MRXNPFEDSA-N 2 1 268.404 3.461 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)CCC1(F)F ZINC001205981056 813151703 /nfs/dbraw/zinc/15/17/03/813151703.db2.gz BIHUSTHBOBJOFA-ZDUSSCGKSA-N 2 1 294.389 3.200 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205991382 813153838 /nfs/dbraw/zinc/15/38/38/813153838.db2.gz ANFQPKVBTBTLHI-HZPDHXFCSA-N 2 1 290.451 3.281 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC001205995941 813157486 /nfs/dbraw/zinc/15/74/86/813157486.db2.gz SEXDVUFIQYCJPN-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)CCC[C@@H]1C[NH3+] ZINC001206003660 813161259 /nfs/dbraw/zinc/16/12/59/813161259.db2.gz KSSIKXQXBMEHEV-QWHCGFSZSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cncc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206003452 813161446 /nfs/dbraw/zinc/16/14/46/813161446.db2.gz IECHKMCZUVLEBC-HUUCEWRRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2C(F)F)CCC[C@@H]1C[NH3+] ZINC001206005984 813162391 /nfs/dbraw/zinc/16/23/91/813162391.db2.gz ZUMNQMFVZXSRQC-QWHCGFSZSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccsc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011136 813164177 /nfs/dbraw/zinc/16/41/77/813164177.db2.gz AFAZXBDAFALCRL-GHMZBOCLSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206012765 813165320 /nfs/dbraw/zinc/16/53/20/813165320.db2.gz NQFMTSXDBODJDF-KBXCAEBGSA-N 2 1 272.436 3.371 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccoc32)CCC[C@H]1C[NH3+] ZINC001206023733 813168934 /nfs/dbraw/zinc/16/89/34/813168934.db2.gz GJTIUSSVGNIZKU-HIFRSBDPSA-N 2 1 272.392 3.240 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206023170 813168969 /nfs/dbraw/zinc/16/89/69/813168969.db2.gz DKVPIIXMZMUYHG-STQMWFEESA-N 2 1 282.378 3.080 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206024145 813169005 /nfs/dbraw/zinc/16/90/05/813169005.db2.gz IAWNCZRYNOACCC-UKRRQHHQSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206036417 813175923 /nfs/dbraw/zinc/17/59/23/813175923.db2.gz JIBJLVKADOHOOB-WXYCVUISSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206036417 813175925 /nfs/dbraw/zinc/17/59/25/813175925.db2.gz JIBJLVKADOHOOB-WXYCVUISSA-N 2 1 278.827 3.113 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001206083948 813194922 /nfs/dbraw/zinc/19/49/22/813194922.db2.gz AWDPIPHFFSTZJV-OAGGEKHMSA-N 2 1 284.488 3.289 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001206083948 813194927 /nfs/dbraw/zinc/19/49/27/813194927.db2.gz AWDPIPHFFSTZJV-OAGGEKHMSA-N 2 1 284.488 3.289 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCC[C@@H]1C ZINC001206110238 813203298 /nfs/dbraw/zinc/20/32/98/813203298.db2.gz QYNDNGCWQVYTIO-GJZGRUSLSA-N 2 1 272.436 3.200 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCCCc2ccccc2)CC[C@@H]1F ZINC001206156225 813216255 /nfs/dbraw/zinc/21/62/55/813216255.db2.gz OUCXWPBWLFEHIN-IRXDYDNUSA-N 2 1 278.415 3.161 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCCCc2ccccc2)CC[C@@H]1F ZINC001206156225 813216257 /nfs/dbraw/zinc/21/62/57/813216257.db2.gz OUCXWPBWLFEHIN-IRXDYDNUSA-N 2 1 278.415 3.161 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163208 813219806 /nfs/dbraw/zinc/21/98/06/813219806.db2.gz AQJRJCIGVOMGIA-KBPBESRZSA-N 2 1 292.423 3.471 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2)CC[C@H]1F ZINC001206175227 813225782 /nfs/dbraw/zinc/22/57/82/813225782.db2.gz SPRVXZLFKRDPQR-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC[C@H]1F ZINC001206175227 813225785 /nfs/dbraw/zinc/22/57/85/813225785.db2.gz SPRVXZLFKRDPQR-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1OC(C)C ZINC001206183693 813230551 /nfs/dbraw/zinc/23/05/51/813230551.db2.gz HADFOTBWPFDDPS-CVEARBPZSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1OC(C)C ZINC001206183693 813230556 /nfs/dbraw/zinc/23/05/56/813230556.db2.gz HADFOTBWPFDDPS-CVEARBPZSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206198147 813236384 /nfs/dbraw/zinc/23/63/84/813236384.db2.gz LCRKJMWWNVEKSK-KGLIPLIRSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206198147 813236391 /nfs/dbraw/zinc/23/63/91/813236391.db2.gz LCRKJMWWNVEKSK-KGLIPLIRSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C)c1Cl ZINC001206212517 813242952 /nfs/dbraw/zinc/24/29/52/813242952.db2.gz RWVWSZWNKYGSEG-UONOGXRCSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C)c1Cl ZINC001206212517 813242956 /nfs/dbraw/zinc/24/29/56/813242956.db2.gz RWVWSZWNKYGSEG-UONOGXRCSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1c(C)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Cl ZINC001206214159 813244247 /nfs/dbraw/zinc/24/42/47/813244247.db2.gz XMJCAEJSJDMGML-CABCVRRESA-N 2 1 284.806 3.218 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Cl ZINC001206214159 813244250 /nfs/dbraw/zinc/24/42/50/813244250.db2.gz XMJCAEJSJDMGML-CABCVRRESA-N 2 1 284.806 3.218 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001206246997 813254175 /nfs/dbraw/zinc/25/41/75/813254175.db2.gz CTVANCLFCNICDG-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001206246997 813254180 /nfs/dbraw/zinc/25/41/80/813254180.db2.gz CTVANCLFCNICDG-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@](C)(C[NH3+])CC1)c1ccccc1 ZINC001206293434 813275332 /nfs/dbraw/zinc/27/53/32/813275332.db2.gz HPSSGDRSZNZOKG-NVXWUHKLSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206303177 813278563 /nfs/dbraw/zinc/27/85/63/813278563.db2.gz CLHXBBSVDXEMBC-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001206303163 813279219 /nfs/dbraw/zinc/27/92/19/813279219.db2.gz CCRVRUXPVZSGAI-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206304775 813282127 /nfs/dbraw/zinc/28/21/27/813282127.db2.gz PNZAIHALHLMGHC-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)ccc2n1 ZINC001206311790 813284132 /nfs/dbraw/zinc/28/41/32/813284132.db2.gz VFCFDPYXCZSMFH-IBGZPJMESA-N 2 1 297.446 3.494 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206310910 813284264 /nfs/dbraw/zinc/28/42/64/813284264.db2.gz FFOSOJIAIGJPMB-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cc(F)cc2F)CC1 ZINC001206311861 813284634 /nfs/dbraw/zinc/28/46/34/813284634.db2.gz VZGYCXNYNAHKJJ-OAHLLOKOSA-N 2 1 286.341 3.055 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(C)c1 ZINC001206310933 813284920 /nfs/dbraw/zinc/28/49/20/813284920.db2.gz FQGDUSYRKYVWEJ-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccn1 ZINC001206317547 813287291 /nfs/dbraw/zinc/28/72/91/813287291.db2.gz GTJSQCCHPKWLLG-SFHVURJKSA-N 2 1 289.467 3.330 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206317492 813287650 /nfs/dbraw/zinc/28/76/50/813287650.db2.gz GGSCBYZTAKPOBX-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP CC1(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CCCCC1 ZINC001206337299 813294426 /nfs/dbraw/zinc/29/44/26/813294426.db2.gz SHXZZYJHAJDCLG-OAHLLOKOSA-N 2 1 256.409 3.110 20 0 CGADMP CC1(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)CCCCC1 ZINC001206337299 813294432 /nfs/dbraw/zinc/29/44/32/813294432.db2.gz SHXZZYJHAJDCLG-OAHLLOKOSA-N 2 1 256.409 3.110 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001206500902 813336469 /nfs/dbraw/zinc/33/64/69/813336469.db2.gz UAWYLBAYYBWXOV-UHFFFAOYSA-N 2 1 288.769 3.179 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC001206549369 813349046 /nfs/dbraw/zinc/34/90/46/813349046.db2.gz MBCFDPZBIHPMKH-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1C ZINC001206549388 813349611 /nfs/dbraw/zinc/34/96/11/813349611.db2.gz MDRDIFUOPWFMGS-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP Cc1sccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573870 813359064 /nfs/dbraw/zinc/35/90/64/813359064.db2.gz ONIXHFSCDVQKSJ-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP CC(C)[N@@H+](CC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC001206583466 813363520 /nfs/dbraw/zinc/36/35/20/813363520.db2.gz VAMURLJVUCFXBP-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)c2c1 ZINC001206615894 813375071 /nfs/dbraw/zinc/37/50/71/813375071.db2.gz JZPJKABTMXKGLX-CQSZACIVSA-N 2 1 271.408 3.037 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1CC ZINC001206622481 813377567 /nfs/dbraw/zinc/37/75/67/813377567.db2.gz CPXMULRBVYUROM-MRXNPFEDSA-N 2 1 290.451 3.209 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001206624547 813379061 /nfs/dbraw/zinc/37/90/61/813379061.db2.gz WJILVFUVEZXMJQ-MRXNPFEDSA-N 2 1 295.430 3.309 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cc[nH+]c(C2CC2)c1 ZINC001206730231 813409797 /nfs/dbraw/zinc/40/97/97/813409797.db2.gz XKUDBDTYCWIQPD-UHFFFAOYSA-N 2 1 268.364 3.472 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1ccccc1Cl ZINC001206760476 813425399 /nfs/dbraw/zinc/42/53/99/813425399.db2.gz HHRDHBUZVUCFAD-UONOGXRCSA-N 2 1 280.843 3.332 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1OC(C)C ZINC001206770139 813432056 /nfs/dbraw/zinc/43/20/56/813432056.db2.gz ROWUZCXNVWMPJA-HOTGVXAUSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206772265 813433870 /nfs/dbraw/zinc/43/38/70/813433870.db2.gz ZZGWEYORHZXIGF-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206805232 813442103 /nfs/dbraw/zinc/44/21/03/813442103.db2.gz AZQFQCWSGANNHD-ZIAGYGMSSA-N 2 1 264.388 3.002 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206806603 813442153 /nfs/dbraw/zinc/44/21/53/813442153.db2.gz GYKDJNNKOMAJCC-CABCVRRESA-N 2 1 298.430 3.408 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001207286457 813535732 /nfs/dbraw/zinc/53/57/32/813535732.db2.gz RWTIMLQVANACAZ-UHFFFAOYSA-N 2 1 282.859 3.402 20 0 CGADMP c1ccc(C[NH+]2CCC(C[N@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC001207290830 813536049 /nfs/dbraw/zinc/53/60/49/813536049.db2.gz CYXUYCWSWMPHPO-RBUKOAKNSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH2+]CC2)cc1 ZINC001207438095 813565130 /nfs/dbraw/zinc/56/51/30/813565130.db2.gz XIQRGGBOTXPVPV-UHFFFAOYSA-N 2 1 295.430 3.083 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C[C@H]1C ZINC001207479953 813572805 /nfs/dbraw/zinc/57/28/05/813572805.db2.gz QQSUEQDLGIQKBH-HUUCEWRRSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)CCC1(F)F ZINC001207480111 813573109 /nfs/dbraw/zinc/57/31/09/813573109.db2.gz UKUOTFLWEVMKQR-CYBMUJFWSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001207479787 813573160 /nfs/dbraw/zinc/57/31/60/813573160.db2.gz NVDQCVHUWISWNA-GOSISDBHSA-N 2 1 272.436 3.208 20 0 CGADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC001207489246 813574144 /nfs/dbraw/zinc/57/41/44/813574144.db2.gz WNRYBNZLBJJDOL-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@H+](CCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001207608867 813610907 /nfs/dbraw/zinc/61/09/07/813610907.db2.gz YOTMQVQBBUNCOB-UHFFFAOYSA-N 2 1 260.425 3.035 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001207608867 813610913 /nfs/dbraw/zinc/61/09/13/813610913.db2.gz YOTMQVQBBUNCOB-UHFFFAOYSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCC1CCCCC1)C2 ZINC001207609392 813612500 /nfs/dbraw/zinc/61/25/00/813612500.db2.gz YRQIGQNPHWSDTL-IAGOWNOFSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001208109586 813694867 /nfs/dbraw/zinc/69/48/67/813694867.db2.gz PSBGQYFXOJWGTQ-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP CC/C=C\CCC[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001208135584 813700611 /nfs/dbraw/zinc/70/06/11/813700611.db2.gz IKNWTYKEYHZRQT-XFHJGTJQSA-N 2 1 294.483 3.308 20 0 CGADMP CC/C=C\CCC[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001208135584 813700618 /nfs/dbraw/zinc/70/06/18/813700618.db2.gz IKNWTYKEYHZRQT-XFHJGTJQSA-N 2 1 294.483 3.308 20 0 CGADMP CS[C@H](C)CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001208140221 813706236 /nfs/dbraw/zinc/70/62/36/813706236.db2.gz DVEKGPGUPUYDFT-HZPDHXFCSA-N 2 1 284.513 3.468 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC(C)=C[C@@H]3C)C[C@@H]2C1 ZINC001208172096 813725355 /nfs/dbraw/zinc/72/53/55/813725355.db2.gz YOKKARSYJCYZMK-XLAORIBOSA-N 2 1 276.468 3.252 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC(C)=C[C@@H]3C)C[C@@H]2C1 ZINC001208172096 813725362 /nfs/dbraw/zinc/72/53/62/813725362.db2.gz YOKKARSYJCYZMK-XLAORIBOSA-N 2 1 276.468 3.252 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC(C)=C[C@@H]3C)C[C@@H]2C1 ZINC001208172096 813725369 /nfs/dbraw/zinc/72/53/69/813725369.db2.gz YOKKARSYJCYZMK-XLAORIBOSA-N 2 1 276.468 3.252 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCSc3ccccc3C2)CC1 ZINC001208603202 813770774 /nfs/dbraw/zinc/77/07/74/813770774.db2.gz WBISCQVMZLGSSC-UHFFFAOYSA-N 2 1 290.476 3.326 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001208613920 813773651 /nfs/dbraw/zinc/77/36/51/813773651.db2.gz IBSOKOQJKBLSHU-CXAGYDPISA-N 2 1 294.389 3.444 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001208613920 813773659 /nfs/dbraw/zinc/77/36/59/813773659.db2.gz IBSOKOQJKBLSHU-CXAGYDPISA-N 2 1 294.389 3.444 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001208613920 813773667 /nfs/dbraw/zinc/77/36/67/813773667.db2.gz IBSOKOQJKBLSHU-CXAGYDPISA-N 2 1 294.389 3.444 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001208613920 813773675 /nfs/dbraw/zinc/77/36/75/813773675.db2.gz IBSOKOQJKBLSHU-CXAGYDPISA-N 2 1 294.389 3.444 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208612086 813775458 /nfs/dbraw/zinc/77/54/58/813775458.db2.gz ANILYHGZMPBMQK-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208612086 813775463 /nfs/dbraw/zinc/77/54/63/813775463.db2.gz ANILYHGZMPBMQK-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208612086 813775469 /nfs/dbraw/zinc/77/54/69/813775469.db2.gz ANILYHGZMPBMQK-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208612086 813775476 /nfs/dbraw/zinc/77/54/76/813775476.db2.gz ANILYHGZMPBMQK-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001208618176 813777285 /nfs/dbraw/zinc/77/72/85/813777285.db2.gz SBJTUPSYLYXMHC-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001208618176 813777293 /nfs/dbraw/zinc/77/72/93/813777293.db2.gz SBJTUPSYLYXMHC-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001208618176 813777296 /nfs/dbraw/zinc/77/72/96/813777296.db2.gz SBJTUPSYLYXMHC-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208618176 813777304 /nfs/dbraw/zinc/77/73/04/813777304.db2.gz SBJTUPSYLYXMHC-GJZGRUSLSA-N 2 1 276.424 3.030 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(CC4)C3)C2)cc1 ZINC001208930523 813903216 /nfs/dbraw/zinc/90/32/16/813903216.db2.gz BQRDCXOYGHSVFF-GOSISDBHSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC4(CC4)C3)C2)cc1 ZINC001208930523 813903224 /nfs/dbraw/zinc/90/32/24/813903224.db2.gz BQRDCXOYGHSVFF-GOSISDBHSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC4(CC4)C3)C2)cc1 ZINC001208930523 813903232 /nfs/dbraw/zinc/90/32/32/813903232.db2.gz BQRDCXOYGHSVFF-GOSISDBHSA-N 2 1 284.447 3.385 20 0 CGADMP FC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931410 813904973 /nfs/dbraw/zinc/90/49/73/813904973.db2.gz JJIBSHKBOWSKEC-KRWDZBQOSA-N 2 1 290.426 3.333 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208941179 813906229 /nfs/dbraw/zinc/90/62/29/813906229.db2.gz IZQSGSIONDFVOP-GBESFXJTSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208941179 813906235 /nfs/dbraw/zinc/90/62/35/813906235.db2.gz IZQSGSIONDFVOP-GBESFXJTSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208941179 813906243 /nfs/dbraw/zinc/90/62/43/813906243.db2.gz IZQSGSIONDFVOP-GBESFXJTSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC4CC(C4)C3)C2)cc1 ZINC001208947067 813908688 /nfs/dbraw/zinc/90/86/88/813908688.db2.gz YLCSFULFUAXWDR-LMDPOFIKSA-N 2 1 284.447 3.240 20 0 CGADMP Cc1cccc2c(C[NH+]3CCC([NH+](C)C)CC3)c[nH]c21 ZINC001209485557 814057260 /nfs/dbraw/zinc/05/72/60/814057260.db2.gz RRPVRINXKWLOEY-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001209578942 814090553 /nfs/dbraw/zinc/09/05/53/814090553.db2.gz RGZBRABWVUVWPR-IRXDYDNUSA-N 2 1 275.440 3.162 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001209578942 814090560 /nfs/dbraw/zinc/09/05/60/814090560.db2.gz RGZBRABWVUVWPR-IRXDYDNUSA-N 2 1 275.440 3.162 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001209578942 814090567 /nfs/dbraw/zinc/09/05/67/814090567.db2.gz RGZBRABWVUVWPR-IRXDYDNUSA-N 2 1 275.440 3.162 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001209578942 814090571 /nfs/dbraw/zinc/09/05/71/814090571.db2.gz RGZBRABWVUVWPR-IRXDYDNUSA-N 2 1 275.440 3.162 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnccc1N ZINC001209727942 814122925 /nfs/dbraw/zinc/12/29/25/814122925.db2.gz AOMWEBXLDUVPSJ-KRWDZBQOSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209727942 814122930 /nfs/dbraw/zinc/12/29/30/814122930.db2.gz AOMWEBXLDUVPSJ-KRWDZBQOSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209727942 814122937 /nfs/dbraw/zinc/12/29/37/814122937.db2.gz AOMWEBXLDUVPSJ-KRWDZBQOSA-N 2 1 267.376 3.140 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001209844514 814161794 /nfs/dbraw/zinc/16/17/94/814161794.db2.gz DCWQAQNMMREUJJ-OAHLLOKOSA-N 2 1 297.446 3.367 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001210400845 814447048 /nfs/dbraw/zinc/44/70/48/814447048.db2.gz URQFQQVTUVIKQJ-ZWKOTPCHSA-N 2 1 292.467 3.119 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001210400845 814447050 /nfs/dbraw/zinc/44/70/50/814447050.db2.gz URQFQQVTUVIKQJ-ZWKOTPCHSA-N 2 1 292.467 3.119 20 0 CGADMP COc1ccc2cc(C[N@@H+]3CC[NH2+][C@H](C)CC3)ccc2c1 ZINC001210473273 814478088 /nfs/dbraw/zinc/47/80/88/814478088.db2.gz CKNWETCIPDJWKR-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[NH2+][C@H](C)CC3)ccc2c1 ZINC001210473273 814478092 /nfs/dbraw/zinc/47/80/92/814478092.db2.gz CKNWETCIPDJWKR-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222159989 816364679 /nfs/dbraw/zinc/36/46/79/816364679.db2.gz BGOJMTVMKUEJET-QGZVFWFLSA-N 2 1 275.440 3.069 20 0 CGADMP S=C1C=COC1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173908 816369650 /nfs/dbraw/zinc/36/96/50/816369650.db2.gz ZFZXESKOFOXWMQ-INIZCTEOSA-N 2 1 294.464 3.314 20 0 CGADMP COc1cc(C)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1C ZINC001222237149 816381045 /nfs/dbraw/zinc/38/10/45/816381045.db2.gz FHVHAWMFIPFCAX-GOSISDBHSA-N 2 1 288.435 3.030 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1C ZINC001222237149 816381055 /nfs/dbraw/zinc/38/10/55/816381055.db2.gz FHVHAWMFIPFCAX-GOSISDBHSA-N 2 1 288.435 3.030 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)ccc2n1 ZINC001222248201 816386462 /nfs/dbraw/zinc/38/64/62/816386462.db2.gz JETDRDBDVNRJEN-IBGZPJMESA-N 2 1 295.430 3.261 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)ccc2n1 ZINC001222248201 816386468 /nfs/dbraw/zinc/38/64/68/816386468.db2.gz JETDRDBDVNRJEN-IBGZPJMESA-N 2 1 295.430 3.261 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)[nH]1 ZINC001222265794 816391712 /nfs/dbraw/zinc/39/17/12/816391712.db2.gz ZDIBEDNRPTVCBQ-SFHVURJKSA-N 2 1 283.419 3.134 20 0 CGADMP c1cc2cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccc2o1 ZINC001222265790 816391866 /nfs/dbraw/zinc/39/18/66/816391866.db2.gz YYJLPISRMJHNJI-SFHVURJKSA-N 2 1 284.403 3.398 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccc2o1 ZINC001222265790 816391875 /nfs/dbraw/zinc/39/18/75/816391875.db2.gz YYJLPISRMJHNJI-SFHVURJKSA-N 2 1 284.403 3.398 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)sc1C ZINC001222272328 816392128 /nfs/dbraw/zinc/39/21/28/816392128.db2.gz RBMDTXMMOOIEGN-MRXNPFEDSA-N 2 1 278.465 3.331 20 0 CGADMP COc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c(C)c1 ZINC001222293147 816400160 /nfs/dbraw/zinc/40/01/60/816400160.db2.gz POWAGRRDJGAQLC-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1C ZINC001222309254 816403953 /nfs/dbraw/zinc/40/39/53/816403953.db2.gz PADPQRQWQPVWPV-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385601 816426589 /nfs/dbraw/zinc/42/65/89/816426589.db2.gz RHNKBPNKECGWCV-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385601 816426593 /nfs/dbraw/zinc/42/65/93/816426593.db2.gz RHNKBPNKECGWCV-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421620 816440487 /nfs/dbraw/zinc/44/04/87/816440487.db2.gz OAJVSEZKVVOFFO-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421620 816440490 /nfs/dbraw/zinc/44/04/90/816440490.db2.gz OAJVSEZKVVOFFO-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465278 816451479 /nfs/dbraw/zinc/45/14/79/816451479.db2.gz MLKJUCLUERBOHU-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222470542 816452281 /nfs/dbraw/zinc/45/22/81/816452281.db2.gz GAHARIFXURQEMU-IBGZPJMESA-N 2 1 280.415 3.476 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222470542 816452285 /nfs/dbraw/zinc/45/22/85/816452285.db2.gz GAHARIFXURQEMU-IBGZPJMESA-N 2 1 280.415 3.476 20 0 CGADMP [NH3+]CC1(F)CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001222548445 816464813 /nfs/dbraw/zinc/46/48/13/816464813.db2.gz MGVCOOGBYHDDAY-UHFFFAOYSA-N 2 1 296.333 3.030 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222630000 816483677 /nfs/dbraw/zinc/48/36/77/816483677.db2.gz VPEPEJSFAKNRAQ-GASCZTMLSA-N 2 1 292.854 3.388 20 0 CGADMP Fc1cccc2c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cccc12 ZINC001222629983 816484031 /nfs/dbraw/zinc/48/40/31/816484031.db2.gz UOZAEOBKPOXHKL-GASCZTMLSA-N 2 1 298.405 3.410 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CCC[NH2+]3)CC2)CC1 ZINC001226784745 817463065 /nfs/dbraw/zinc/46/30/65/817463065.db2.gz MUQGQTLWZHSGIE-CVEARBPZSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001231790460 818176794 /nfs/dbraw/zinc/17/67/94/818176794.db2.gz VDHDNCBVFLHIAB-RTBURBONSA-N 2 1 286.463 3.269 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001231790460 818176795 /nfs/dbraw/zinc/17/67/95/818176795.db2.gz VDHDNCBVFLHIAB-RTBURBONSA-N 2 1 286.463 3.269 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC23CC3)c1 ZINC001232143287 818262721 /nfs/dbraw/zinc/26/27/21/818262721.db2.gz APBSZEANJUPAGR-UHFFFAOYSA-N 2 1 262.372 3.016 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232143862 818263326 /nfs/dbraw/zinc/26/33/26/818263326.db2.gz IULYJNYOHHGXHR-CYBMUJFWSA-N 2 1 264.388 3.119 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC23CCCC3)c1 ZINC001232145164 818263559 /nfs/dbraw/zinc/26/35/59/818263559.db2.gz WSEPGLWBRMUHAZ-UHFFFAOYSA-N 2 1 276.399 3.406 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640222 818408204 /nfs/dbraw/zinc/40/82/04/818408204.db2.gz JYRCERJCNRQGHP-MJGOQNOKSA-N 2 1 284.447 3.091 20 0 CGADMP Cc1ccc(Cl)cc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001233250383 818553788 /nfs/dbraw/zinc/55/37/88/818553788.db2.gz ILZOFHONEHEDAQ-MRXNPFEDSA-N 2 1 278.827 3.176 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234998729 818974392 /nfs/dbraw/zinc/97/43/92/818974392.db2.gz JDZHDXZYYACDEX-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234998729 818974398 /nfs/dbraw/zinc/97/43/98/818974398.db2.gz JDZHDXZYYACDEX-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP c1csc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)c1 ZINC001235025189 818980360 /nfs/dbraw/zinc/98/03/60/818980360.db2.gz XKFWPKMACWTTAN-UHFFFAOYSA-N 2 1 284.428 3.210 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)c1 ZINC001235025189 818980364 /nfs/dbraw/zinc/98/03/64/818980364.db2.gz XKFWPKMACWTTAN-UHFFFAOYSA-N 2 1 284.428 3.210 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)o1 ZINC001235023377 818980677 /nfs/dbraw/zinc/98/06/77/818980677.db2.gz AETXAJRWFDPWKE-UHFFFAOYSA-N 2 1 282.387 3.050 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)o1 ZINC001235023377 818980681 /nfs/dbraw/zinc/98/06/81/818980681.db2.gz AETXAJRWFDPWKE-UHFFFAOYSA-N 2 1 282.387 3.050 20 0 CGADMP Clc1ccc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001235032533 818984077 /nfs/dbraw/zinc/98/40/77/818984077.db2.gz QNOXSSPAFUDHBU-OAHLLOKOSA-N 2 1 299.245 3.221 20 0 CGADMP Clc1ccc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001235032533 818984081 /nfs/dbraw/zinc/98/40/81/818984081.db2.gz QNOXSSPAFUDHBU-OAHLLOKOSA-N 2 1 299.245 3.221 20 0 CGADMP Fc1cccc(F)c1CC[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042254 818987847 /nfs/dbraw/zinc/98/78/47/818987847.db2.gz WXIGCKXIPAULJS-QGZVFWFLSA-N 2 1 294.389 3.115 20 0 CGADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042254 818987852 /nfs/dbraw/zinc/98/78/52/818987852.db2.gz WXIGCKXIPAULJS-QGZVFWFLSA-N 2 1 294.389 3.115 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042567 818988959 /nfs/dbraw/zinc/98/89/59/818988959.db2.gz XQBNCFDSKAVTLU-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235079728 818996361 /nfs/dbraw/zinc/99/63/61/818996361.db2.gz YFXIZOCASAIDQC-BZUAXINKSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235079728 818996368 /nfs/dbraw/zinc/99/63/68/818996368.db2.gz YFXIZOCASAIDQC-BZUAXINKSA-N 2 1 250.430 3.195 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091762 818999902 /nfs/dbraw/zinc/99/99/02/818999902.db2.gz BKZYNEPDWVJJEN-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP C[C@H](CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001235111764 819007422 /nfs/dbraw/zinc/00/74/22/819007422.db2.gz UYWLIYZGNIQYBL-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001235111764 819007428 /nfs/dbraw/zinc/00/74/28/819007428.db2.gz UYWLIYZGNIQYBL-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123535 819011615 /nfs/dbraw/zinc/01/16/15/819011615.db2.gz KFYLXMJKXBVIDO-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CCCC23CC[NH2+]CC3)CC1 ZINC001235140795 819014806 /nfs/dbraw/zinc/01/48/06/819014806.db2.gz NWKMUBQJWATQHV-CVEARBPZSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155034 819017955 /nfs/dbraw/zinc/01/79/55/819017955.db2.gz NDTOLRNYLNVRDY-GOSISDBHSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1cc(O)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235154959 819018732 /nfs/dbraw/zinc/01/87/32/819018732.db2.gz BVJDGEKDRLPEMG-SFHVURJKSA-N 2 1 288.435 3.055 20 0 CGADMP Clc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190522 819029467 /nfs/dbraw/zinc/02/94/67/819029467.db2.gz LCSMYPCQHHVEGK-UHFFFAOYSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190522 819029473 /nfs/dbraw/zinc/02/94/73/819029473.db2.gz LCSMYPCQHHVEGK-UHFFFAOYSA-N 2 1 278.827 3.448 20 0 CGADMP Cc1c(C[N@@H+]2CCCCC23CC[NH2+]CC3)ccc(F)c1F ZINC001235192295 819032797 /nfs/dbraw/zinc/03/27/97/819032797.db2.gz ZPXGIOPKOASTJO-UHFFFAOYSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc(F)c1F ZINC001235192295 819032798 /nfs/dbraw/zinc/03/27/98/819032798.db2.gz ZPXGIOPKOASTJO-UHFFFAOYSA-N 2 1 294.389 3.381 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236344 819043305 /nfs/dbraw/zinc/04/33/05/819043305.db2.gz YFXIZOCASAIDQC-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236344 819043308 /nfs/dbraw/zinc/04/33/08/819043308.db2.gz YFXIZOCASAIDQC-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235239306 819044351 /nfs/dbraw/zinc/04/43/51/819044351.db2.gz GVRXTJUHXZYUEJ-BZUAXINKSA-N 2 1 250.430 3.182 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235262763 819054708 /nfs/dbraw/zinc/05/47/08/819054708.db2.gz SJMAQWHGUCLIFH-SWLSCSKDSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235262763 819054713 /nfs/dbraw/zinc/05/47/13/819054713.db2.gz SJMAQWHGUCLIFH-SWLSCSKDSA-N 2 1 272.417 3.003 20 0 CGADMP Fc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235262448 819055666 /nfs/dbraw/zinc/05/56/66/819055666.db2.gz REDQSTXPPCMNJW-MJGOQNOKSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235262448 819055672 /nfs/dbraw/zinc/05/56/72/819055672.db2.gz REDQSTXPPCMNJW-MJGOQNOKSA-N 2 1 296.389 3.286 20 0 CGADMP Cc1c(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cccc1-c1ccccc1 ZINC001235286275 819061768 /nfs/dbraw/zinc/06/17/68/819061768.db2.gz YTKRFXVKQNUWJO-REPLKXPHSA-N 2 1 278.399 3.051 20 0 CGADMP CCCCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348659 819075664 /nfs/dbraw/zinc/07/56/64/819075664.db2.gz IKVWZVOFXKXMEJ-QZTJIDSGSA-N 2 1 272.436 3.256 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400626 819084771 /nfs/dbraw/zinc/08/47/71/819084771.db2.gz DPXLEVSKIXVAKI-QZTJIDSGSA-N 2 1 290.426 3.334 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235423232 819093007 /nfs/dbraw/zinc/09/30/07/819093007.db2.gz FSCUOSRRGJXYRS-HOTGVXAUSA-N 2 1 290.426 3.346 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433444 819095657 /nfs/dbraw/zinc/09/56/57/819095657.db2.gz HYGSFLULJOLHDC-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001235691208 819143151 /nfs/dbraw/zinc/14/31/51/819143151.db2.gz RNELYCLNCCZQDH-NUVRTYOOSA-N 2 1 276.468 3.277 20 0 CGADMP C[N@H+](CCc1cccc(Cl)c1)CCC1CC[NH2+]CC1 ZINC001235712956 819148049 /nfs/dbraw/zinc/14/80/49/819148049.db2.gz DJLKYYABPHQUBA-UHFFFAOYSA-N 2 1 280.843 3.204 20 0 CGADMP Fc1ccc(F)c([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC001235712914 819148096 /nfs/dbraw/zinc/14/80/96/819148096.db2.gz DCUXHZQMLSBEPV-SUMWQHHRSA-N 2 1 294.389 3.491 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(C)c1C ZINC001235713853 819148576 /nfs/dbraw/zinc/14/85/76/819148576.db2.gz HXMBAAKTSPOEII-UHFFFAOYSA-N 2 1 290.451 3.134 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)CC1(c2ccccc2)CC1 ZINC001235713471 819148968 /nfs/dbraw/zinc/14/89/68/819148968.db2.gz FFGRYAADPADNEW-UHFFFAOYSA-N 2 1 272.436 3.040 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001235716085 819150812 /nfs/dbraw/zinc/15/08/12/819150812.db2.gz YJEHBHUUESXAIS-IBGZPJMESA-N 2 1 280.415 3.210 20 0 CGADMP Fc1ccccc1[C@@H]1CCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235719095 819151425 /nfs/dbraw/zinc/15/14/25/819151425.db2.gz RYIPOMCRLPBQKN-PBHICJAKSA-N 2 1 276.399 3.495 20 0 CGADMP Fc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235719095 819151427 /nfs/dbraw/zinc/15/14/27/819151427.db2.gz RYIPOMCRLPBQKN-PBHICJAKSA-N 2 1 276.399 3.495 20 0 CGADMP Cc1c(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc(F)c1F ZINC001235718103 819152422 /nfs/dbraw/zinc/15/24/22/819152422.db2.gz UMQVJMVCTGKEIV-UHFFFAOYSA-N 2 1 282.378 3.095 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235724062 819153796 /nfs/dbraw/zinc/15/37/96/819153796.db2.gz AMJQEJRIUNASSX-OAHLLOKOSA-N 2 1 276.399 3.005 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001235750934 819160792 /nfs/dbraw/zinc/16/07/92/819160792.db2.gz TXJDZJBNMZCKNC-HNNXBMFYSA-N 2 1 260.425 3.155 20 0 CGADMP CC[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH2+]CC1 ZINC001235762423 819163030 /nfs/dbraw/zinc/16/30/30/819163030.db2.gz UFOHRNPJKBYSHW-UHFFFAOYSA-N 2 1 291.826 3.395 20 0 CGADMP CC[N@@H+](Cc1cc(OC(C)C)ccc1C)C1CC[NH2+]CC1 ZINC001235765300 819163495 /nfs/dbraw/zinc/16/34/95/819163495.db2.gz ZDSAGWOGKORWCS-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001235825415 819176989 /nfs/dbraw/zinc/17/69/89/819176989.db2.gz MQRZEOBMYXZLFX-CYBMUJFWSA-N 2 1 266.816 3.258 20 0 CGADMP CCCC[NH+](CCCC)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235834783 819180674 /nfs/dbraw/zinc/18/06/74/819180674.db2.gz OVLRWIJSLNFNTQ-ZIAGYGMSSA-N 2 1 276.415 3.379 20 0 CGADMP Cc1ccc(CC[N@H+](C)CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235840607 819181625 /nfs/dbraw/zinc/18/16/25/819181625.db2.gz QLHGXKNCEFWTJB-UHFFFAOYSA-N 2 1 286.463 3.249 20 0 CGADMP COCCC[N@@H+](CCCC1CCCCC1)C1CC[NH2+]CC1 ZINC001235934936 819231396 /nfs/dbraw/zinc/23/13/96/819231396.db2.gz FJYBRMOCNXHWMI-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235941853 819233762 /nfs/dbraw/zinc/23/37/62/819233762.db2.gz XHPFNPZDPZNTAQ-HOTGVXAUSA-N 2 1 272.436 3.025 20 0 CGADMP Fc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235949510 819239029 /nfs/dbraw/zinc/23/90/29/819239029.db2.gz NEZAURKKTLYCRC-HOCLYGCPSA-N 2 1 276.399 3.005 20 0 CGADMP CCCCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001235950316 819240432 /nfs/dbraw/zinc/24/04/32/819240432.db2.gz AMMJFDDAIMXJSU-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1C(C)C ZINC001235950443 819242302 /nfs/dbraw/zinc/24/23/02/819242302.db2.gz GANBTYRMWUKDCV-MRXNPFEDSA-N 2 1 290.451 3.250 20 0 CGADMP CC(C)c1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957287 819246176 /nfs/dbraw/zinc/24/61/76/819246176.db2.gz MCNRLAOEWRRMCU-OAHLLOKOSA-N 2 1 260.425 3.241 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235958841 819246804 /nfs/dbraw/zinc/24/68/04/819246804.db2.gz BDNHMUZCAPCXJC-KRWDZBQOSA-N 2 1 260.425 3.459 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959996 819246911 /nfs/dbraw/zinc/24/69/11/819246911.db2.gz RIXGFNIGJHLBGP-NXOAAHMSSA-N 2 1 296.499 3.277 20 0 CGADMP CCc1ccc(C[N@H+](C)C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235959358 819247788 /nfs/dbraw/zinc/24/77/88/819247788.db2.gz HYUIEBXWAFKVSD-CZUORRHYSA-N 2 1 296.405 3.172 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235959358 819247796 /nfs/dbraw/zinc/24/77/96/819247796.db2.gz HYUIEBXWAFKVSD-CZUORRHYSA-N 2 1 296.405 3.172 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(C)c1Cl ZINC001235960016 819248385 /nfs/dbraw/zinc/24/83/85/819248385.db2.gz RSIXCZRNOGBQEW-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC001235961646 819249939 /nfs/dbraw/zinc/24/99/39/819249939.db2.gz CZKOBBPYUHSNQJ-GJZGRUSLSA-N 2 1 276.424 3.220 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC001235961646 819249944 /nfs/dbraw/zinc/24/99/44/819249944.db2.gz CZKOBBPYUHSNQJ-GJZGRUSLSA-N 2 1 276.424 3.220 20 0 CGADMP COc1ccccc1[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC001235961643 819250170 /nfs/dbraw/zinc/25/01/70/819250170.db2.gz CZKOBBPYUHSNQJ-CABCVRRESA-N 2 1 276.424 3.220 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC001235961643 819250172 /nfs/dbraw/zinc/25/01/72/819250172.db2.gz CZKOBBPYUHSNQJ-CABCVRRESA-N 2 1 276.424 3.220 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C[NH3+])cc1 ZINC001235962265 819251646 /nfs/dbraw/zinc/25/16/46/819251646.db2.gz KBHBJWMFYAULHQ-UHFFFAOYSA-N 2 1 272.367 3.307 20 0 CGADMP CC[N@@H+](CCCC[NH3+])Cc1cccc(Br)c1 ZINC001235963671 819252490 /nfs/dbraw/zinc/25/24/90/819252490.db2.gz XVKRKHUEIZNTNF-UHFFFAOYSA-N 2 1 285.229 3.010 20 0 CGADMP CC(C)(C)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973856 819254936 /nfs/dbraw/zinc/25/49/36/819254936.db2.gz OZYSVDPPIABERX-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP FC1CC2(C1)CCC[N@@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC001235994743 819263892 /nfs/dbraw/zinc/26/38/92/819263892.db2.gz WSLQLLFHCXYUBB-HWOWSKLDSA-N 2 1 268.420 3.123 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236007166 819270334 /nfs/dbraw/zinc/27/03/34/819270334.db2.gz UJMXOLYAZMGOBV-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1Cl ZINC001236010148 819273787 /nfs/dbraw/zinc/27/37/87/819273787.db2.gz QQZMNMYLTZOCNX-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236047096 819284698 /nfs/dbraw/zinc/28/46/98/819284698.db2.gz KRGOIBFOMYZSEG-WCQYABFASA-N 2 1 274.433 3.379 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236047096 819284704 /nfs/dbraw/zinc/28/47/04/819284704.db2.gz KRGOIBFOMYZSEG-WCQYABFASA-N 2 1 274.433 3.379 20 0 CGADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1ccc(F)cc1F ZINC001236072895 819301939 /nfs/dbraw/zinc/30/19/39/819301939.db2.gz YFNZMDBPAKCZCA-UHFFFAOYSA-N 2 1 288.341 3.200 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1ccc(F)cc1F ZINC001236072895 819301947 /nfs/dbraw/zinc/30/19/47/819301947.db2.gz YFNZMDBPAKCZCA-UHFFFAOYSA-N 2 1 288.341 3.200 20 0 CGADMP CC[N@@H+](Cc1cccs1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236088743 819308852 /nfs/dbraw/zinc/30/88/52/819308852.db2.gz IMMVXUHVBSUTMS-WCQYABFASA-N 2 1 288.407 3.061 20 0 CGADMP CC[N@H+](Cc1cccs1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236088743 819308861 /nfs/dbraw/zinc/30/88/61/819308861.db2.gz IMMVXUHVBSUTMS-WCQYABFASA-N 2 1 288.407 3.061 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236094368 819312095 /nfs/dbraw/zinc/31/20/95/819312095.db2.gz SMWBGNFUACPDIQ-DAYGRLMNSA-N 2 1 288.479 3.442 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC001236141995 819342728 /nfs/dbraw/zinc/34/27/28/819342728.db2.gz QPHVMHWHMPFAIT-UHFFFAOYSA-N 2 1 298.430 3.436 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(C)s1)C1CC[NH2+]CC1 ZINC001236184028 819359038 /nfs/dbraw/zinc/35/90/38/819359038.db2.gz DQMQKAIVFIRZOS-UHFFFAOYSA-N 2 1 266.454 3.329 20 0 CGADMP CCC[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)C1CC[NH2+]CC1 ZINC001236182370 819359689 /nfs/dbraw/zinc/35/96/89/819359689.db2.gz MWCDJVIQWQBLAY-UHFFFAOYSA-N 2 1 277.456 3.276 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc12 ZINC001236192065 819364573 /nfs/dbraw/zinc/36/45/73/819364573.db2.gz NPZOYOVRTUQMCY-QGZVFWFLSA-N 2 1 271.408 3.434 20 0 CGADMP CCc1cccc(C)c1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215184 819377674 /nfs/dbraw/zinc/37/76/74/819377674.db2.gz HMWGCCMTJSJEEN-DLBZAZTESA-N 2 1 260.425 3.259 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215184 819377678 /nfs/dbraw/zinc/37/76/78/819377678.db2.gz HMWGCCMTJSJEEN-DLBZAZTESA-N 2 1 260.425 3.259 20 0 CGADMP C[N@H+](Cc1coc2ccc(F)cc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215209 819379246 /nfs/dbraw/zinc/37/92/46/819379246.db2.gz FWSFLGAESKLEQO-CABCVRRESA-N 2 1 276.355 3.274 20 0 CGADMP C[N@@H+](Cc1coc2ccc(F)cc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215209 819379252 /nfs/dbraw/zinc/37/92/52/819379252.db2.gz FWSFLGAESKLEQO-CABCVRRESA-N 2 1 276.355 3.274 20 0 CGADMP Cc1ccnc2cccc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c12 ZINC001236216714 819380262 /nfs/dbraw/zinc/38/02/62/819380262.db2.gz LXSANUPHIGQYMU-RDJZCZTQSA-N 2 1 283.419 3.245 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](C)C2CCC([NH2+]C)CC2)c1 ZINC001236216149 819380748 /nfs/dbraw/zinc/38/07/48/819380748.db2.gz KOVWWTDQKZATHZ-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236216860 819382234 /nfs/dbraw/zinc/38/22/34/819382234.db2.gz LLZUYEOWRXUZPH-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236216860 819382239 /nfs/dbraw/zinc/38/22/39/819382239.db2.gz LLZUYEOWRXUZPH-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(F)c(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001236221842 819387597 /nfs/dbraw/zinc/38/75/97/819387597.db2.gz HDONDEGGILZJKR-HAQNSBGRSA-N 2 1 284.806 3.489 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236222400 819388946 /nfs/dbraw/zinc/38/89/46/819388946.db2.gz IBHIZPOXXHKUCS-OAHLLOKOSA-N 2 1 252.446 3.443 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+](C)C2(C)CC[NH2+]CC2)CC1 ZINC001236223454 819389934 /nfs/dbraw/zinc/38/99/34/819389934.db2.gz NSMHQGHCZOJJLY-GJZGRUSLSA-N 2 1 250.430 3.053 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C1(C)CC[NH2+]CC1 ZINC001236227102 819390688 /nfs/dbraw/zinc/39/06/88/819390688.db2.gz ZUEUPSCUNBYGBU-UHFFFAOYSA-N 2 1 291.826 3.395 20 0 CGADMP Clc1cccc2[nH]cc(C[NH+]3CCC[NH2+]CCC3)c21 ZINC001236239120 819398194 /nfs/dbraw/zinc/39/81/94/819398194.db2.gz DMAOSSGXSPQVHU-UHFFFAOYSA-N 2 1 277.799 3.007 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCSc3ccccc3C2)cc1 ZINC001236242634 819401314 /nfs/dbraw/zinc/40/13/14/819401314.db2.gz ZRXCFSRWLUNNSI-UHFFFAOYSA-N 2 1 284.428 3.253 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236245867 819402666 /nfs/dbraw/zinc/40/26/66/819402666.db2.gz RTYPVEASWFMLTQ-CYBMUJFWSA-N 2 1 285.435 3.389 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236245867 819402673 /nfs/dbraw/zinc/40/26/73/819402673.db2.gz RTYPVEASWFMLTQ-CYBMUJFWSA-N 2 1 285.435 3.389 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236246377 819403646 /nfs/dbraw/zinc/40/36/46/819403646.db2.gz YLXMOAYTVJRSBD-GOSISDBHSA-N 2 1 284.378 3.416 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236246377 819403649 /nfs/dbraw/zinc/40/36/49/819403649.db2.gz YLXMOAYTVJRSBD-GOSISDBHSA-N 2 1 284.378 3.416 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCCCCCCC1 ZINC001236308960 819418527 /nfs/dbraw/zinc/41/85/27/819418527.db2.gz YYKJFKFXSOKUTK-KBPBESRZSA-N 2 1 274.399 3.133 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314224 819420616 /nfs/dbraw/zinc/42/06/16/819420616.db2.gz LSVHUMHMAPVMPA-YESZJQIVSA-N 2 1 264.457 3.300 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)cc1Cl ZINC001236320832 819424026 /nfs/dbraw/zinc/42/40/26/819424026.db2.gz KMAUJTWKADXSST-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP CC(C)(C)C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366540 819436549 /nfs/dbraw/zinc/43/65/49/819436549.db2.gz DMVOGIUWTDNFSR-UHFFFAOYSA-N 2 1 278.415 3.426 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366540 819436552 /nfs/dbraw/zinc/43/65/52/819436552.db2.gz DMVOGIUWTDNFSR-UHFFFAOYSA-N 2 1 278.415 3.426 20 0 CGADMP CS[C@@H](C)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372614 819441562 /nfs/dbraw/zinc/44/15/62/819441562.db2.gz QWZGXVUYZYDYSY-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP CC[N@H+](Cc1ccc2ccsc2c1)C[C@H]1CC[NH2+]C1 ZINC001236408103 819455420 /nfs/dbraw/zinc/45/54/20/819455420.db2.gz KXSCMFLOCQPBGO-AWEZNQCLSA-N 2 1 274.433 3.333 20 0 CGADMP CCCCc1ccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236409120 819455621 /nfs/dbraw/zinc/45/56/21/819455621.db2.gz RVECMWLUZNOOMB-GOSISDBHSA-N 2 1 274.452 3.461 20 0 CGADMP CC[N@H+](Cc1csc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236408854 819455961 /nfs/dbraw/zinc/45/59/61/819455961.db2.gz PMQDEFIGFNKPMH-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236409797 819457553 /nfs/dbraw/zinc/45/75/53/819457553.db2.gz WVDRCOFIAPPSMA-INIZCTEOSA-N 2 1 290.451 3.052 20 0 CGADMP CC[N@H+](Cc1cccc2sccc21)C[C@@H]1CC[NH2+]C1 ZINC001236411702 819459188 /nfs/dbraw/zinc/45/91/88/819459188.db2.gz ONIATSYLGQZQNC-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001236415632 819461190 /nfs/dbraw/zinc/46/11/90/819461190.db2.gz OZEQTMRFOJQQJU-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001236415632 819461194 /nfs/dbraw/zinc/46/11/94/819461194.db2.gz OZEQTMRFOJQQJU-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001236417157 819463159 /nfs/dbraw/zinc/46/31/59/819463159.db2.gz XLQSQEGQCRXRHL-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001236417157 819463164 /nfs/dbraw/zinc/46/31/64/819463164.db2.gz XLQSQEGQCRXRHL-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236417627 819463733 /nfs/dbraw/zinc/46/37/33/819463733.db2.gz CKFKHXJAZLHFHH-KBXCAEBGSA-N 2 1 268.404 3.460 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H]1CC=C(C)C1(C)C ZINC001236419671 819466072 /nfs/dbraw/zinc/46/60/72/819466072.db2.gz MCPDSDWPZDRZJO-LSDHHAIUSA-N 2 1 250.430 3.053 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@H+](Cc2ccccc2)C2CCC2)CO1 ZINC001236440266 819480402 /nfs/dbraw/zinc/48/04/02/819480402.db2.gz FELCMOUBFUXYSW-INIZCTEOSA-N 2 1 288.435 3.156 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@@H+](Cc2ccccc2)C2CCC2)CO1 ZINC001236440266 819480406 /nfs/dbraw/zinc/48/04/06/819480406.db2.gz FELCMOUBFUXYSW-INIZCTEOSA-N 2 1 288.435 3.156 20 0 CGADMP [NH3+]CCCCCC[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565706 819538476 /nfs/dbraw/zinc/53/84/76/819538476.db2.gz NPKZBDFSOBTJID-SAABIXHNSA-N 3 1 295.515 3.410 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC001236615089 819553200 /nfs/dbraw/zinc/55/32/00/819553200.db2.gz DXRAIJHDDXKFHJ-OAHLLOKOSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC001236615089 819553207 /nfs/dbraw/zinc/55/32/07/819553207.db2.gz DXRAIJHDDXKFHJ-OAHLLOKOSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(C)c1Cl ZINC001236616454 819553664 /nfs/dbraw/zinc/55/36/64/819553664.db2.gz NORQCDIQOPEAES-HNNXBMFYSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)c1Cl ZINC001236616454 819553668 /nfs/dbraw/zinc/55/36/68/819553668.db2.gz NORQCDIQOPEAES-HNNXBMFYSA-N 2 1 266.816 3.128 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cccc4occc43)C[C@H]2C1 ZINC001236738992 819588814 /nfs/dbraw/zinc/58/88/14/819588814.db2.gz KBHBXWPUSLXDKP-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4occc43)C[C@@H]2C1 ZINC001236738992 819588816 /nfs/dbraw/zinc/58/88/16/819588816.db2.gz KBHBXWPUSLXDKP-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4occc43)C[C@@H]2C1 ZINC001236738992 819588821 /nfs/dbraw/zinc/58/88/21/819588821.db2.gz KBHBXWPUSLXDKP-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4occc43)C[C@@H]2C1 ZINC001236738992 819588824 /nfs/dbraw/zinc/58/88/24/819588824.db2.gz KBHBXWPUSLXDKP-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4occc43)C[C@@H]2C1 ZINC001236738992 819588829 /nfs/dbraw/zinc/58/88/29/819588829.db2.gz KBHBXWPUSLXDKP-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767339 819592018 /nfs/dbraw/zinc/59/20/18/819592018.db2.gz HMHUFOAATXWSLE-XGUBFFRZSA-N 2 1 252.446 3.260 20 0 CGADMP CCC(CC)[N@@H+](C[C@H]1C[C@@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783323 819593753 /nfs/dbraw/zinc/59/37/53/819593753.db2.gz SNLCKUOFWQBRHT-FQLMCAECSA-N 2 1 252.446 3.403 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC001236817239 819606260 /nfs/dbraw/zinc/60/62/60/819606260.db2.gz AMUUBVUPZJYUEC-RCBQFDQVSA-N 2 1 278.465 3.260 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236827470 819610058 /nfs/dbraw/zinc/61/00/58/819610058.db2.gz GBBDLHAOJJUNOR-MAZHCROVSA-N 2 1 286.444 3.379 20 0 CGADMP CCC[N@@H+](CCc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236832339 819611344 /nfs/dbraw/zinc/61/13/44/819611344.db2.gz UTSSYVKUMRLLHZ-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236832272 819611918 /nfs/dbraw/zinc/61/19/18/819611918.db2.gz TVSUWVWSXIDGOL-COPLHBTASA-N 2 1 296.867 3.231 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC001236832349 819612065 /nfs/dbraw/zinc/61/20/65/819612065.db2.gz VARKZTODKIHDGU-CFVMTHIKSA-N 2 1 278.827 3.126 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236833393 819613595 /nfs/dbraw/zinc/61/35/95/819613595.db2.gz ANPDTBJEXWYTRK-CQSZACIVSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835971 819615697 /nfs/dbraw/zinc/61/56/97/819615697.db2.gz RIPPNPTYLOXTIU-AWEZNQCLSA-N 2 1 298.377 3.110 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236842963 819618426 /nfs/dbraw/zinc/61/84/26/819618426.db2.gz IKYNASIMNFESEL-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1cc(OCC)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236843261 819618432 /nfs/dbraw/zinc/61/84/32/819618432.db2.gz GHKYSTAYXAKMQX-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)CC(C)(C)Sc1ccc(Cl)cc1 ZINC001236885176 819630738 /nfs/dbraw/zinc/63/07/38/819630738.db2.gz ZTAUCVMYBYJKBA-NSHDSACASA-N 2 1 286.872 3.490 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)CC(C)(C)Sc1ccc(Cl)cc1 ZINC001236885176 819630742 /nfs/dbraw/zinc/63/07/42/819630742.db2.gz ZTAUCVMYBYJKBA-NSHDSACASA-N 2 1 286.872 3.490 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c3ccoc32)CC1 ZINC001236907686 819637026 /nfs/dbraw/zinc/63/70/26/819637026.db2.gz YJVZHXLUTKHQKI-UHFFFAOYSA-N 2 1 290.382 3.488 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c3ccoc32)CC1 ZINC001236907686 819637029 /nfs/dbraw/zinc/63/70/29/819637029.db2.gz YJVZHXLUTKHQKI-UHFFFAOYSA-N 2 1 290.382 3.488 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001237001587 819643699 /nfs/dbraw/zinc/64/36/99/819643699.db2.gz YERWBZJMGWLJHA-XEZPLFJOSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC001237001587 819643702 /nfs/dbraw/zinc/64/37/02/819643702.db2.gz YERWBZJMGWLJHA-XEZPLFJOSA-N 2 1 294.389 3.097 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237057340 819656260 /nfs/dbraw/zinc/65/62/60/819656260.db2.gz KZSFIXXXPQVRGE-HZPDHXFCSA-N 2 1 252.446 3.430 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCC[NH3+] ZINC001237056912 819654254 /nfs/dbraw/zinc/65/42/54/819654254.db2.gz AJFOGBYLANUDKT-NSHDSACASA-N 2 1 285.229 3.181 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@](C)(C[NH3+])C2)C1(C)C ZINC001237056253 819654332 /nfs/dbraw/zinc/65/43/32/819654332.db2.gz HRDFKISSIQOFOT-DOTOQJQBSA-N 2 1 264.457 3.430 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1C(C)C ZINC001237058684 819656705 /nfs/dbraw/zinc/65/67/05/819656705.db2.gz QZUOLEUADPXRSR-SFHVURJKSA-N 2 1 290.451 3.379 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001237059317 819657024 /nfs/dbraw/zinc/65/70/24/819657024.db2.gz SOWIHUYVGAWMPY-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001237059317 819657027 /nfs/dbraw/zinc/65/70/27/819657027.db2.gz SOWIHUYVGAWMPY-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccccc1Cl ZINC001237083226 819664045 /nfs/dbraw/zinc/66/40/45/819664045.db2.gz XRDCINKIKXANQU-VHRNVKJDSA-N 2 1 292.854 3.474 20 0 CGADMP S=C1C=COC1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001237177985 819687659 /nfs/dbraw/zinc/68/76/59/819687659.db2.gz HDYKUABBUNRLQR-AWEZNQCLSA-N 2 1 294.464 3.409 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001237203871 819697162 /nfs/dbraw/zinc/69/71/62/819697162.db2.gz MBVNHMCXUMPTRU-PBHICJAKSA-N 2 1 266.388 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001237203871 819697165 /nfs/dbraw/zinc/69/71/65/819697165.db2.gz MBVNHMCXUMPTRU-PBHICJAKSA-N 2 1 266.388 3.275 20 0 CGADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266583 819711819 /nfs/dbraw/zinc/71/18/19/819711819.db2.gz XENPHOVFLYCWNC-ZFWWWQNUSA-N 2 1 276.424 3.000 20 0 CGADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266583 819711825 /nfs/dbraw/zinc/71/18/25/819711825.db2.gz XENPHOVFLYCWNC-ZFWWWQNUSA-N 2 1 276.424 3.000 20 0 CGADMP CCc1cccc(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001237328499 819726992 /nfs/dbraw/zinc/72/69/92/819726992.db2.gz DFTUBMDJTFOBCY-GOSISDBHSA-N 2 1 272.436 3.085 20 0 CGADMP CCc1cccc(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001237328499 819726999 /nfs/dbraw/zinc/72/69/99/819726999.db2.gz DFTUBMDJTFOBCY-GOSISDBHSA-N 2 1 272.436 3.085 20 0 CGADMP C[N@H+](Cc1cnc(-c2ccccc2)o1)CC1CC[NH+](C)CC1 ZINC001237369849 819736821 /nfs/dbraw/zinc/73/68/21/819736821.db2.gz CHHYNNVIEVXPTB-UHFFFAOYSA-N 2 1 299.418 3.115 20 0 CGADMP Clc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237379371 819738128 /nfs/dbraw/zinc/73/81/28/819738128.db2.gz BBRCSKXOSQAGEG-RDJZCZTQSA-N 2 1 292.854 3.347 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237379371 819738133 /nfs/dbraw/zinc/73/81/33/819738133.db2.gz BBRCSKXOSQAGEG-RDJZCZTQSA-N 2 1 292.854 3.347 20 0 CGADMP CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237879707 819865147 /nfs/dbraw/zinc/86/51/47/819865147.db2.gz OXXANZJCLQDLDB-SFHVURJKSA-N 2 1 298.430 3.241 20 0 CGADMP CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237879707 819865158 /nfs/dbraw/zinc/86/51/58/819865158.db2.gz OXXANZJCLQDLDB-SFHVURJKSA-N 2 1 298.430 3.241 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H]3C)cc21 ZINC001237881828 819869210 /nfs/dbraw/zinc/86/92/10/819869210.db2.gz VUORYOWNJVJFTF-ZDUSSCGKSA-N 2 1 256.393 3.282 20 0 CGADMP CCC[C@H]1CCCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238113410 819938985 /nfs/dbraw/zinc/93/89/85/819938985.db2.gz KMYAAUBBJRAIAR-AWEZNQCLSA-N 2 1 257.381 3.489 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238113410 819938987 /nfs/dbraw/zinc/93/89/87/819938987.db2.gz KMYAAUBBJRAIAR-AWEZNQCLSA-N 2 1 257.381 3.489 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C2=CCC[NH2+]CC2)nc1 ZINC001238937302 820160639 /nfs/dbraw/zinc/16/06/39/820160639.db2.gz RVOHPTBHFFPSRH-OAHLLOKOSA-N 2 1 285.435 3.223 20 0 CGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240656525 821220800 /nfs/dbraw/zinc/22/08/00/821220800.db2.gz CZZXYJKLFSODKH-GOSISDBHSA-N 2 1 285.435 3.395 20 0 CGADMP C[N@H+]1CCC=C(c2ccc3[nH]c4cc[nH+]cc4c3c2)C1 ZINC001241572511 821958176 /nfs/dbraw/zinc/95/81/76/821958176.db2.gz ZLDCODSDTPRAJW-UHFFFAOYSA-N 2 1 263.344 3.435 20 0 CGADMP C[NH+]1CCC(c2cccc(C3=CCC[N@@H+](C)C3)c2)CC1 ZINC001241571794 821958812 /nfs/dbraw/zinc/95/88/12/821958812.db2.gz JKKHJGWRLBZFTC-UHFFFAOYSA-N 2 1 270.420 3.215 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC001242090388 822344743 /nfs/dbraw/zinc/34/47/43/822344743.db2.gz NOXVLRQAXYVJKY-UHFFFAOYSA-N 2 1 297.402 3.114 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001339934647 936391715 /nfs/dbraw/zinc/39/17/15/936391715.db2.gz VHSJJNDAJBAEOA-RDJZCZTQSA-N 2 1 272.436 3.254 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)c1ccccc1OC(F)F ZINC001345483034 936812234 /nfs/dbraw/zinc/81/22/34/936812234.db2.gz PXXADQDWFROCMI-WCQYABFASA-N 2 1 286.366 3.327 20 0 CGADMP C[C@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C(C)(C)C ZINC001345957243 936831248 /nfs/dbraw/zinc/83/12/48/936831248.db2.gz VDUFAQBWHGKDGM-CQSZACIVSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001349911890 936968376 /nfs/dbraw/zinc/96/83/76/936968376.db2.gz SCJKGLKRQDNKMB-DZGCQCFKSA-N 2 1 288.439 3.052 20 0 CGADMP Cc1cc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1Cl ZINC001560972069 937239008 /nfs/dbraw/zinc/23/90/08/937239008.db2.gz BXMJCDVXAWIXOG-HOCLYGCPSA-N 2 1 278.827 3.174 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590558 937492476 /nfs/dbraw/zinc/49/24/76/937492476.db2.gz XQYXEHPLEBZVMT-KURKYZTESA-N 2 1 290.426 3.488 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590558 937492477 /nfs/dbraw/zinc/49/24/77/937492477.db2.gz XQYXEHPLEBZVMT-KURKYZTESA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590558 937492479 /nfs/dbraw/zinc/49/24/79/937492479.db2.gz XQYXEHPLEBZVMT-KURKYZTESA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590558 937492481 /nfs/dbraw/zinc/49/24/81/937492481.db2.gz XQYXEHPLEBZVMT-KURKYZTESA-N 2 1 290.426 3.488 20 0 CGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647770 937538433 /nfs/dbraw/zinc/53/84/33/937538433.db2.gz AYSAZFOEUFDKAC-MSOLQXFVSA-N 2 1 290.426 3.432 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2CCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001460708351 937540941 /nfs/dbraw/zinc/54/09/41/937540941.db2.gz KKRCHHFIDYDFAN-KXBFYZLASA-N 2 1 293.414 3.280 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(CC)CC2)C1 ZINC000098173264 931995818 /nfs/dbraw/zinc/99/58/18/931995818.db2.gz VMCPXNFUNHCMCJ-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@]1(C)CCOc2ccccc21 ZINC001460823736 937547435 /nfs/dbraw/zinc/54/74/35/937547435.db2.gz LGSHUSGMFKYYEY-KRWDZBQOSA-N 2 1 276.424 3.006 20 0 CGADMP Cc1ccc(Br)cc1C[N@H+](C)CCC[NH+](C)C ZINC000313758637 932027593 /nfs/dbraw/zinc/02/75/93/932027593.db2.gz VPBLITCLSYRIFK-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP Cc1ccc(Br)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000313758637 932027589 /nfs/dbraw/zinc/02/75/89/932027589.db2.gz VPBLITCLSYRIFK-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP CCc1cnc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC001461049423 937561381 /nfs/dbraw/zinc/56/13/81/937561381.db2.gz CJVBGGLVSZIAAH-AWEZNQCLSA-N 2 1 295.496 3.307 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2scnc2C)c1 ZINC001461170442 937567267 /nfs/dbraw/zinc/56/72/67/937567267.db2.gz LVSCRBXAQUGMCS-UHFFFAOYSA-N 2 1 289.448 3.193 20 0 CGADMP C[C@@H](c1cccc(O[C@@H]2CCC[N@@H+](C)CC2)c1)[NH+](C)C ZINC001229628152 932180050 /nfs/dbraw/zinc/18/00/50/932180050.db2.gz SYBACARBQQOOCJ-GOEBONIOSA-N 2 1 276.424 3.172 20 0 CGADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC001462103418 937617989 /nfs/dbraw/zinc/61/79/89/937617989.db2.gz ZUOYZWRMBMEONY-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001462199340 937624767 /nfs/dbraw/zinc/62/47/67/937624767.db2.gz HLQPZDPHFNENJV-BLLLJJGKSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001462199340 937624770 /nfs/dbraw/zinc/62/47/70/937624770.db2.gz HLQPZDPHFNENJV-BLLLJJGKSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC001462199340 937624773 /nfs/dbraw/zinc/62/47/73/937624773.db2.gz HLQPZDPHFNENJV-BLLLJJGKSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC001462199340 937624775 /nfs/dbraw/zinc/62/47/75/937624775.db2.gz HLQPZDPHFNENJV-BLLLJJGKSA-N 2 1 280.843 3.420 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC1 ZINC001462414522 937639385 /nfs/dbraw/zinc/63/93/85/937639385.db2.gz MJRSPHUKIFAAIW-SFHVURJKSA-N 2 1 290.426 3.131 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001307976951 933028339 /nfs/dbraw/zinc/02/83/39/933028339.db2.gz ZMNDCYDDASIIPQ-BWTSREIZSA-N 2 1 280.415 3.140 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001307976951 933028342 /nfs/dbraw/zinc/02/83/42/933028342.db2.gz ZMNDCYDDASIIPQ-BWTSREIZSA-N 2 1 280.415 3.140 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC001307973536 933029088 /nfs/dbraw/zinc/02/90/88/933029088.db2.gz FIFHSUCYKUYSNQ-IEXSPKMKSA-N 2 1 252.446 3.397 20 0 CGADMP Cc1ccccc1CCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001307977894 933029494 /nfs/dbraw/zinc/02/94/94/933029494.db2.gz HLJXUCFXKMLUQM-RTBURBONSA-N 2 1 286.463 3.201 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC001308224836 933074904 /nfs/dbraw/zinc/07/49/04/933074904.db2.gz LMCUNFYJJVELRZ-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CCc1cccc2cc(C[NH2+]CC[C@@H](C)[NH+](C)C)oc21 ZINC001308479975 933117851 /nfs/dbraw/zinc/11/78/51/933117851.db2.gz XIUTWLSLZVSFSR-CYBMUJFWSA-N 2 1 274.408 3.425 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC001308555799 933131474 /nfs/dbraw/zinc/13/14/74/933131474.db2.gz YHKKBEDCIDMRMH-RRFJBIMHSA-N 2 1 280.362 3.054 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001308585741 933138114 /nfs/dbraw/zinc/13/81/14/933138114.db2.gz IXBFFLYEUDFOJK-SJORKVTESA-N 2 1 266.473 3.476 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294235 933854676 /nfs/dbraw/zinc/85/46/76/933854676.db2.gz PPKINIWNRAJTTA-BVGQSLNGSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294235 933854679 /nfs/dbraw/zinc/85/46/79/933854679.db2.gz PPKINIWNRAJTTA-BVGQSLNGSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294235 933854684 /nfs/dbraw/zinc/85/46/84/933854684.db2.gz PPKINIWNRAJTTA-BVGQSLNGSA-N 2 1 288.410 3.229 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913421 933956384 /nfs/dbraw/zinc/95/63/84/933956384.db2.gz UWIOOGXCJRACAB-YOEHRIQHSA-N 2 1 293.430 3.239 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913421 933956392 /nfs/dbraw/zinc/95/63/92/933956392.db2.gz UWIOOGXCJRACAB-YOEHRIQHSA-N 2 1 293.430 3.239 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001321273931 934172149 /nfs/dbraw/zinc/17/21/49/934172149.db2.gz PMVOVXKRORULBC-YHUYYLMFSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC001322634789 934322860 /nfs/dbraw/zinc/32/28/60/934322860.db2.gz ZAEJQECDKCSPJV-NVXWUHKLSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322641929 934323297 /nfs/dbraw/zinc/32/32/97/934323297.db2.gz FAWBCCRNOMFKFJ-KBRIMQKVSA-N 2 1 278.415 3.219 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC001322632141 934323570 /nfs/dbraw/zinc/32/35/70/934323570.db2.gz DRMCMXJRXZMZHD-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC001322632141 934323579 /nfs/dbraw/zinc/32/35/79/934323579.db2.gz DRMCMXJRXZMZHD-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC001326190687 934958140 /nfs/dbraw/zinc/95/81/40/934958140.db2.gz XWVJDOQXIUZRDV-INIZCTEOSA-N 2 1 270.420 3.326 20 0 CGADMP CC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC001326190687 934958143 /nfs/dbraw/zinc/95/81/43/934958143.db2.gz XWVJDOQXIUZRDV-INIZCTEOSA-N 2 1 270.420 3.326 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001326202549 934959172 /nfs/dbraw/zinc/95/91/72/934959172.db2.gz RWQBHEIJMNDEON-UHFFFAOYSA-N 2 1 293.480 3.232 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC001473678295 937817070 /nfs/dbraw/zinc/81/70/70/937817070.db2.gz WELQFYYDKMKJCP-DLBZAZTESA-N 2 1 284.488 3.245 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C1CCCCC1 ZINC001326623977 934994602 /nfs/dbraw/zinc/99/46/02/934994602.db2.gz NTCTYMBAQVZITP-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718960 937818547 /nfs/dbraw/zinc/81/85/47/937818547.db2.gz RAFDZQXYDNCTKH-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718958 937818860 /nfs/dbraw/zinc/81/88/60/937818860.db2.gz RAFDZQXYDNCTKH-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)C1CC2(CCC2)C1 ZINC001328563914 935147913 /nfs/dbraw/zinc/14/79/13/935147913.db2.gz VRKKBNBFTIOTDQ-UHFFFAOYSA-N 2 1 296.374 3.095 20 0 CGADMP CC(C)(C)Oc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC001329286175 935201430 /nfs/dbraw/zinc/20/14/30/935201430.db2.gz DWZYKSYXUWIODA-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP C(C1CCC1)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001329925717 935254897 /nfs/dbraw/zinc/25/48/97/935254897.db2.gz NJLINPLWDLTQKL-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001330715132 935316728 /nfs/dbraw/zinc/31/67/28/935316728.db2.gz UCGNKCRQSMNXJK-KBAYOESNSA-N 2 1 289.467 3.255 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC001331286376 935365203 /nfs/dbraw/zinc/36/52/03/935365203.db2.gz ANBOXDAYVDMLFB-GJZGRUSLSA-N 2 1 264.438 3.021 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001334355395 936098768 /nfs/dbraw/zinc/09/87/68/936098768.db2.gz CGLLNQAZNJPHNZ-BBWFWOEESA-N 2 1 290.426 3.296 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C1 ZINC001335135632 936130811 /nfs/dbraw/zinc/13/08/11/936130811.db2.gz YYZRNPSEJOTXSB-RRFJBIMHSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1cc(F)cc(N[C@@H](CC[NH+](C)C)c2cccnc2)[nH+]1 ZINC001336712825 936209186 /nfs/dbraw/zinc/20/91/86/936209186.db2.gz NLUNHTULENWVFJ-HNNXBMFYSA-N 2 1 288.370 3.029 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001337728284 936284099 /nfs/dbraw/zinc/28/40/99/936284099.db2.gz RLPKMMMYJOULJY-UTUOFQBUSA-N 2 1 266.351 3.180 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C/C=C/c1cccc(F)c1 ZINC001473912727 937829668 /nfs/dbraw/zinc/82/96/68/937829668.db2.gz VGAQKGZNASAITP-RMKNXTFCSA-N 2 1 264.388 3.160 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001473956732 937832139 /nfs/dbraw/zinc/83/21/39/937832139.db2.gz AYQABHBURCMZHW-AWEZNQCLSA-N 2 1 289.448 3.118 20 0 CGADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)oc21 ZINC001474302281 937849928 /nfs/dbraw/zinc/84/99/28/937849928.db2.gz VGLHGFIKKSIVQJ-RYQLBKOJSA-N 2 1 298.430 3.425 20 0 CGADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](C)C[C@@H]43)oc21 ZINC001474302281 937849931 /nfs/dbraw/zinc/84/99/31/937849931.db2.gz VGLHGFIKKSIVQJ-RYQLBKOJSA-N 2 1 298.430 3.425 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC001474320783 937851041 /nfs/dbraw/zinc/85/10/41/937851041.db2.gz QFLVZTNLPZYEJR-RTBURBONSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC001474320783 937851042 /nfs/dbraw/zinc/85/10/42/937851042.db2.gz QFLVZTNLPZYEJR-RTBURBONSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC001474320783 937851044 /nfs/dbraw/zinc/85/10/44/937851044.db2.gz QFLVZTNLPZYEJR-RTBURBONSA-N 2 1 286.463 3.262 20 0 CGADMP CC(C)C1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC001474671144 937874101 /nfs/dbraw/zinc/87/41/01/937874101.db2.gz SBHLXTNALPLFOK-ZGUYJTEBSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC001474671144 937874103 /nfs/dbraw/zinc/87/41/03/937874103.db2.gz SBHLXTNALPLFOK-ZGUYJTEBSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC001474671144 937874105 /nfs/dbraw/zinc/87/41/05/937874105.db2.gz SBHLXTNALPLFOK-ZGUYJTEBSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC001474671144 937874107 /nfs/dbraw/zinc/87/41/07/937874107.db2.gz SBHLXTNALPLFOK-ZGUYJTEBSA-N 2 1 278.484 3.475 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001549039164 938154492 /nfs/dbraw/zinc/15/44/92/938154492.db2.gz RKZPRVMMNMYNCD-OKYOBFRVSA-N 2 1 284.447 3.112 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC001549548319 938157965 /nfs/dbraw/zinc/15/79/65/938157965.db2.gz VSSCMRAMPIZSRW-BRSBDYLESA-N 2 1 284.447 3.395 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)F)C2)C1 ZINC001549548709 938158050 /nfs/dbraw/zinc/15/80/50/938158050.db2.gz YJGJTRGKVHNPBW-MGPQQGTHSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC001550352286 938166177 /nfs/dbraw/zinc/16/61/77/938166177.db2.gz ANIDFMSIZGVUKA-AHCXZYCDSA-N 2 1 272.436 3.239 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCc3ccc(F)c(F)c32)C1 ZINC001553290934 938197840 /nfs/dbraw/zinc/19/78/40/938197840.db2.gz FTRYBODXOMLZAD-JSGCOSHPSA-N 2 1 294.389 3.320 20 0 CGADMP CCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@H](CC)c1ccccc1 ZINC001559503017 938227821 /nfs/dbraw/zinc/22/78/21/938227821.db2.gz UJNPHFLPAGFYGL-QZTJIDSGSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@H](CC)c1ccccc1 ZINC001559503017 938227822 /nfs/dbraw/zinc/22/78/22/938227822.db2.gz UJNPHFLPAGFYGL-QZTJIDSGSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](CC)c1ccccc1 ZINC001559503017 938227823 /nfs/dbraw/zinc/22/78/23/938227823.db2.gz UJNPHFLPAGFYGL-QZTJIDSGSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](CC)c1ccccc1 ZINC001559503017 938227824 /nfs/dbraw/zinc/22/78/24/938227824.db2.gz UJNPHFLPAGFYGL-QZTJIDSGSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@@H](CC)c1ccccc1 ZINC001559503016 938227968 /nfs/dbraw/zinc/22/79/68/938227968.db2.gz UJNPHFLPAGFYGL-MSOLQXFVSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@@H](CC)c1ccccc1 ZINC001559503016 938227969 /nfs/dbraw/zinc/22/79/69/938227969.db2.gz UJNPHFLPAGFYGL-MSOLQXFVSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](CC)c1ccccc1 ZINC001559503016 938227970 /nfs/dbraw/zinc/22/79/70/938227970.db2.gz UJNPHFLPAGFYGL-MSOLQXFVSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](CC)c1ccccc1 ZINC001559503016 938227971 /nfs/dbraw/zinc/22/79/71/938227971.db2.gz UJNPHFLPAGFYGL-MSOLQXFVSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[C@H](C)CCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043514 938242638 /nfs/dbraw/zinc/24/26/38/938242638.db2.gz BKVKJOXJPOQZGI-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001560228091 938248068 /nfs/dbraw/zinc/24/80/68/938248068.db2.gz XWRCXQFLOJGCJK-GOSISDBHSA-N 2 1 299.418 3.045 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001560228091 938248069 /nfs/dbraw/zinc/24/80/69/938248069.db2.gz XWRCXQFLOJGCJK-GOSISDBHSA-N 2 1 299.418 3.045 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC001560248570 938249051 /nfs/dbraw/zinc/24/90/51/938249051.db2.gz XQZCYXVEZKLBBJ-ALCCZGGFSA-N 2 1 264.388 3.160 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC001560465577 938259202 /nfs/dbraw/zinc/25/92/02/938259202.db2.gz YDZBQVHAIOOKRD-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC001560465577 938259203 /nfs/dbraw/zinc/25/92/03/938259203.db2.gz YDZBQVHAIOOKRD-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP Fc1ccc(Cl)cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001560499629 938260550 /nfs/dbraw/zinc/26/05/50/938260550.db2.gz KFMMARLPKVAWJD-UHFFFAOYSA-N 2 1 289.741 3.417 20 0 CGADMP CC[C@H]1CCCC[C@H]1C[N@@H+](CC)CCC[NH+](C)C ZINC001560811282 938277068 /nfs/dbraw/zinc/27/70/68/938277068.db2.gz DWZIZHPONHORKI-HOTGVXAUSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2scnc2c1 ZINC001560814148 938277644 /nfs/dbraw/zinc/27/76/44/938277644.db2.gz QNZJIWLBXDIUHQ-IUODEOHRSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2scnc2c1 ZINC001560814148 938277648 /nfs/dbraw/zinc/27/76/48/938277648.db2.gz QNZJIWLBXDIUHQ-IUODEOHRSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2scnc2c1 ZINC001560814148 938277650 /nfs/dbraw/zinc/27/76/50/938277650.db2.gz QNZJIWLBXDIUHQ-IUODEOHRSA-N 2 1 289.448 3.068 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001560869227 938280735 /nfs/dbraw/zinc/28/07/35/938280735.db2.gz BDWJUMYXFJTDFW-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001560869227 938280738 /nfs/dbraw/zinc/28/07/38/938280738.db2.gz BDWJUMYXFJTDFW-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCO[C@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1(C)C ZINC001560870300 938281069 /nfs/dbraw/zinc/28/10/69/938281069.db2.gz DKPFPJRTEMUXIJ-OAGGEKHMSA-N 2 1 284.488 3.289 20 0 CGADMP CCCCO[C@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1(C)C ZINC001560870300 938281070 /nfs/dbraw/zinc/28/10/70/938281070.db2.gz DKPFPJRTEMUXIJ-OAGGEKHMSA-N 2 1 284.488 3.289 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1CCCCC12CCCC2)C[NH+](C)C ZINC001561002027 938288683 /nfs/dbraw/zinc/28/86/83/938288683.db2.gz MSFKJZHILLDNKD-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CCCc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001561028311 938290360 /nfs/dbraw/zinc/29/03/60/938290360.db2.gz FNYPQBGTPWMMKE-MSOLQXFVSA-N 2 1 272.436 3.023 20 0 CGADMP CCCc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001561028311 938290361 /nfs/dbraw/zinc/29/03/61/938290361.db2.gz FNYPQBGTPWMMKE-MSOLQXFVSA-N 2 1 272.436 3.023 20 0 CGADMP CCCc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001561028311 938290362 /nfs/dbraw/zinc/29/03/62/938290362.db2.gz FNYPQBGTPWMMKE-MSOLQXFVSA-N 2 1 272.436 3.023 20 0 CGADMP CCCc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001561028311 938290364 /nfs/dbraw/zinc/29/03/64/938290364.db2.gz FNYPQBGTPWMMKE-MSOLQXFVSA-N 2 1 272.436 3.023 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC001561055791 938292729 /nfs/dbraw/zinc/29/27/29/938292729.db2.gz XYUPSDPHKHRSPP-GFCCVEGCSA-N 2 1 283.847 3.253 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ncccc1C ZINC001257205127 960426801 /nfs/dbraw/zinc/42/68/01/960426801.db2.gz XYNZGUYHSQYXNI-INIZCTEOSA-N 2 1 275.440 3.304 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001258774689 960428524 /nfs/dbraw/zinc/42/85/24/960428524.db2.gz WLHBNNMAKNQCAR-SFHVURJKSA-N 2 1 287.451 3.483 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001258774689 960428531 /nfs/dbraw/zinc/42/85/31/960428531.db2.gz WLHBNNMAKNQCAR-SFHVURJKSA-N 2 1 287.451 3.483 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+](C)C2CC([NH3+])C2)cc1C ZINC001579571996 960483797 /nfs/dbraw/zinc/48/37/97/960483797.db2.gz NHYSMAAVTUIXOG-WAYWQWQTSA-N 2 1 258.409 3.047 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001580293084 960487784 /nfs/dbraw/zinc/48/77/84/960487784.db2.gz PFYMQSRQNWZXNI-DLBZAZTESA-N 2 1 282.472 3.034 20 0 CGADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC2(CCCCCC2)O1 ZINC001574800653 962317274 /nfs/dbraw/zinc/31/72/74/962317274.db2.gz KLURDLWTTZTLSR-HZPDHXFCSA-N 2 1 292.467 3.133 20 0 CGADMP C(CSC1CCCCC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001574796403 962318215 /nfs/dbraw/zinc/31/82/15/962318215.db2.gz WJQBWAQPSYGYDT-HNNXBMFYSA-N 2 1 282.497 3.317 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)[NH3+])no2)C1 ZINC001575550017 962386269 /nfs/dbraw/zinc/38/62/69/962386269.db2.gz OFHHHLGGTUHMCI-CYBMUJFWSA-N 2 1 279.428 3.127 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575690476 962408278 /nfs/dbraw/zinc/40/82/78/962408278.db2.gz YGCLPJBPPQVAFW-GOEBONIOSA-N 2 1 264.388 3.164 20 0 CGADMP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC001575647990 962410812 /nfs/dbraw/zinc/41/08/12/962410812.db2.gz DYLVKFZLKALKHF-KFWWJZLASA-N 2 1 262.441 3.314 20 0 CGADMP C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001575934675 962418475 /nfs/dbraw/zinc/41/84/75/962418475.db2.gz RZUZVHLSBJYAJF-PVAVHDDUSA-N 2 1 264.457 3.406 20 0 CGADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1F ZINC001575941254 962420000 /nfs/dbraw/zinc/42/00/00/962420000.db2.gz MSPCNKXGWFYJTF-MFKMUULPSA-N 2 1 270.779 3.099 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576119307 962435798 /nfs/dbraw/zinc/43/57/98/962435798.db2.gz DLGYCTQNIABBNY-ZYHUDNBSSA-N 2 1 287.234 3.205 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576119307 962435801 /nfs/dbraw/zinc/43/58/01/962435801.db2.gz DLGYCTQNIABBNY-ZYHUDNBSSA-N 2 1 287.234 3.205 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 ZINC001576310953 962445291 /nfs/dbraw/zinc/44/52/91/962445291.db2.gz ONDCNQOCLCBDMK-AAEUAGOBSA-N 2 1 268.351 3.195 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 ZINC001576310953 962445297 /nfs/dbraw/zinc/44/52/97/962445297.db2.gz ONDCNQOCLCBDMK-AAEUAGOBSA-N 2 1 268.351 3.195 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC001576434683 962455063 /nfs/dbraw/zinc/45/50/63/962455063.db2.gz IGOUVFULSWUDTM-HUUCEWRRSA-N 2 1 252.446 3.264 20 0 CGADMP CC1(C)CC(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC001576396126 962459599 /nfs/dbraw/zinc/45/95/99/962459599.db2.gz VXLLRXGZQSPESS-SJORKVTESA-N 2 1 272.436 3.158 20 0 CGADMP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(C)(C)C[NH3+])C1 ZINC001576622377 962473153 /nfs/dbraw/zinc/47/31/53/962473153.db2.gz CXQINPBDUJTMAU-WFASDCNBSA-N 2 1 264.388 3.194 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC001576598293 962478731 /nfs/dbraw/zinc/47/87/31/962478731.db2.gz LMWMPNNABKWWEH-HZSPNIEDSA-N 2 1 296.405 3.203 20 0 CGADMP C[C@H]1CCC[N@@H+](CCc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC001576708417 962482442 /nfs/dbraw/zinc/48/24/42/962482442.db2.gz DBCXOTZNQRXVHA-XJKSGUPXSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC1CCCCCC1 ZINC001576747833 962491968 /nfs/dbraw/zinc/49/19/68/962491968.db2.gz GHSRHAUCSBJXNH-FMKPAKJESA-N 2 1 252.446 3.323 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCC2)C1 ZINC001576849419 962493752 /nfs/dbraw/zinc/49/37/52/962493752.db2.gz FUEYMSGPFYGKMQ-CJNGLKHVSA-N 2 1 292.854 3.349 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(C[NH3+])c2)C1 ZINC001578215053 962571592 /nfs/dbraw/zinc/57/15/92/962571592.db2.gz PFWFOAYFUPBNAG-JKSUJKDBSA-N 2 1 278.465 3.251 20 0 CGADMP CCc1ccc(C2=CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC001578255278 962572790 /nfs/dbraw/zinc/57/27/90/962572790.db2.gz QLBVHUWHZACJLT-RHNCMZPLSA-N 2 1 270.420 3.075 20 0 CGADMP CO[C@H](C[N@@H+]1[C@H](C[NH3+])CC[C@H](C)[C@@H]1C)C1CCCCC1 ZINC001578909075 962604634 /nfs/dbraw/zinc/60/46/34/962604634.db2.gz PLHUVJGEDABAIK-NXNVCVFFSA-N 2 1 282.472 3.029 20 0 CGADMP CO[C@H](C[N@H+]1[C@H](C[NH3+])CC[C@H](C)[C@@H]1C)C1CCCCC1 ZINC001578909075 962604648 /nfs/dbraw/zinc/60/46/48/962604648.db2.gz PLHUVJGEDABAIK-NXNVCVFFSA-N 2 1 282.472 3.029 20 0 CGADMP CO[C@@](C)(C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC001578897873 962606510 /nfs/dbraw/zinc/60/65/10/962606510.db2.gz ZMOQGKGTBSCOQS-AEFFLSMTSA-N 2 1 292.467 3.291 20 0 CGADMP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc2ccccc21 ZINC001579150388 962611754 /nfs/dbraw/zinc/61/17/54/962611754.db2.gz JBFMBFOEBVJVAC-BBRMVZONSA-N 2 1 284.403 3.018 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC001579175637 962612771 /nfs/dbraw/zinc/61/27/71/962612771.db2.gz GYMTVJYDTDTOAJ-BBRMVZONSA-N 2 1 284.403 3.018 20 0 CGADMP COc1ccccc1/C=C/C[NH2+][C@@](C)(C[NH3+])CC(C)C ZINC001579306927 962620455 /nfs/dbraw/zinc/62/04/55/962620455.db2.gz IAAPQFXVGSTPTJ-UGAXZCSASA-N 2 1 276.424 3.062 20 0 CGADMP C[C@@H]1c2ccccc2C[N@@H+]1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001579471543 962627384 /nfs/dbraw/zinc/62/73/84/962627384.db2.gz OQXAMTDDBZPIQB-RBSFLKMASA-N 2 1 258.409 3.328 20 0 CGADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H](C)[NH3+])cc2)c1 ZINC001579576679 962637380 /nfs/dbraw/zinc/63/73/80/962637380.db2.gz HHGKUXOQROZBLY-HNNXBMFYSA-N 2 1 268.404 3.407 20 0 CGADMP Clc1ccc([C@H]2CC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC001579938017 962681305 /nfs/dbraw/zinc/68/13/05/962681305.db2.gz KVYOHDNNAOREEI-OAHLLOKOSA-N 2 1 264.800 3.086 20 0 CGADMP Fc1ccc(-c2ccc(C[NH2+]CCC[NH2+]C3CC3)o2)cc1 ZINC001580029224 962686025 /nfs/dbraw/zinc/68/60/25/962686025.db2.gz HREKEEGLBPEUQP-UHFFFAOYSA-N 2 1 288.366 3.317 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)C1CCCC1 ZINC001580228395 962704333 /nfs/dbraw/zinc/70/43/33/962704333.db2.gz ACIJKIVKTAJVJE-QWFMPGPPSA-N 2 1 294.389 3.318 20 0 CGADMP c1c2cccnc2oc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580896745 962741235 /nfs/dbraw/zinc/74/12/35/962741235.db2.gz PKBYFJJFMXOCLN-JKSUJKDBSA-N 2 1 299.418 3.039 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC001580893167 962743658 /nfs/dbraw/zinc/74/36/58/962743658.db2.gz VUUPJUYNRKVYEM-QGZVFWFLSA-N 2 1 287.451 3.041 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC001580895795 962745070 /nfs/dbraw/zinc/74/50/70/962745070.db2.gz SKPDFGLEOHWHDT-YSIASYRMSA-N 2 1 292.426 3.062 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C(C)C ZINC000337413331 214065990 /nfs/dbraw/zinc/06/59/90/214065990.db2.gz YCXCIYPANTZXHH-ARFHVFGLSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000337451050 214088557 /nfs/dbraw/zinc/08/85/57/214088557.db2.gz SWGZPNAKPNABMT-MLGOLLRUSA-N 2 1 289.810 3.370 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000124703648 187149467 /nfs/dbraw/zinc/14/94/67/187149467.db2.gz MFTUDLBMPCPVMO-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000124703648 187149468 /nfs/dbraw/zinc/14/94/68/187149468.db2.gz MFTUDLBMPCPVMO-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000124703648 187149469 /nfs/dbraw/zinc/14/94/69/187149469.db2.gz MFTUDLBMPCPVMO-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000651686258 398269241 /nfs/dbraw/zinc/26/92/41/398269241.db2.gz VYMITGKQJZLFKE-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC000096950590 185138365 /nfs/dbraw/zinc/13/83/65/185138365.db2.gz IYSIEDGMQSECQG-KRWDZBQOSA-N 2 1 258.409 3.041 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cc3ccccc3s1)C2 ZINC000622003453 349621119 /nfs/dbraw/zinc/62/11/19/349621119.db2.gz ADFLNPAZWHQNPI-XJKSGUPXSA-N 2 1 272.417 3.215 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cc3ccccc3s1)C2 ZINC000622003453 349621122 /nfs/dbraw/zinc/62/11/22/349621122.db2.gz ADFLNPAZWHQNPI-XJKSGUPXSA-N 2 1 272.417 3.215 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000651808429 398290799 /nfs/dbraw/zinc/29/07/99/398290799.db2.gz QRCQGEPDDQQFLW-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651823069 398294326 /nfs/dbraw/zinc/29/43/26/398294326.db2.gz UXPYEXDBLMJOJV-AQBKWJQSSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000651829500 398295262 /nfs/dbraw/zinc/29/52/62/398295262.db2.gz DQKSAUCOAIUTRL-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000335511776 212198097 /nfs/dbraw/zinc/19/80/97/212198097.db2.gz JMHCBWBTKPPMRL-ZYHUDNBSSA-N 2 1 270.779 3.272 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000337949318 214328020 /nfs/dbraw/zinc/32/80/20/214328020.db2.gz OQFMXQSZRQFFEI-UHFFFAOYSA-N 2 1 283.375 3.426 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000651865633 398298749 /nfs/dbraw/zinc/29/87/49/398298749.db2.gz BFMGMMHWRXXZRA-LSDHHAIUSA-N 2 1 272.502 3.084 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000651865632 398299000 /nfs/dbraw/zinc/29/90/00/398299000.db2.gz BFMGMMHWRXXZRA-HUUCEWRRSA-N 2 1 272.502 3.084 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000338020439 214364497 /nfs/dbraw/zinc/36/44/97/214364497.db2.gz ZJOPWDWTNIZZFK-LBPRGKRZSA-N 2 1 289.448 3.483 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000338016182 214363224 /nfs/dbraw/zinc/36/32/24/214363224.db2.gz JCUNTCYQCCKDML-HOTGVXAUSA-N 2 1 261.413 3.140 20 0 CGADMP CCC[C@@H](C)[C@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338018771 214363722 /nfs/dbraw/zinc/36/37/22/214363722.db2.gz LWSTVECSNDYZHR-HIFRSBDPSA-N 2 1 251.418 3.386 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H]1CCCF)C(C)C ZINC000337999356 214353103 /nfs/dbraw/zinc/35/31/03/214353103.db2.gz RZBRKWBWJPKBKJ-LSDHHAIUSA-N 2 1 258.425 3.225 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1CCCF)C(C)C ZINC000337999356 214353105 /nfs/dbraw/zinc/35/31/05/214353105.db2.gz RZBRKWBWJPKBKJ-LSDHHAIUSA-N 2 1 258.425 3.225 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000338006402 214354507 /nfs/dbraw/zinc/35/45/07/214354507.db2.gz BFMFJKZSUANYKY-NSHDSACASA-N 2 1 279.334 3.211 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000338166344 214426165 /nfs/dbraw/zinc/42/61/65/214426165.db2.gz PHWXKIPWBADNQU-INIZCTEOSA-N 2 1 284.447 3.323 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423478904 529453167 /nfs/dbraw/zinc/45/31/67/529453167.db2.gz UWDNXMFFAVSMKP-IINYFYTJSA-N 2 1 252.789 3.044 20 0 CGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cncc(F)c1 ZINC000125971139 187207515 /nfs/dbraw/zinc/20/75/15/187207515.db2.gz LXPOMRNXMDNLJN-DOMZBBRYSA-N 2 1 281.419 3.238 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000148080503 529542652 /nfs/dbraw/zinc/54/26/52/529542652.db2.gz GFJISKISCBQFNK-SFHVURJKSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423456123 529569407 /nfs/dbraw/zinc/56/94/07/529569407.db2.gz DFRGADVOEFVEBI-AEFFLSMTSA-N 2 1 286.394 3.436 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]1C ZINC000414098638 529592560 /nfs/dbraw/zinc/59/25/60/529592560.db2.gz QIKSIHJOOYXORG-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623358080 349787936 /nfs/dbraw/zinc/78/79/36/349787936.db2.gz NDODDGYSJIAYAQ-IRXDYDNUSA-N 3 1 295.515 3.103 20 0 CGADMP C[C@H]1CCCC[NH+]1CCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358080 349787942 /nfs/dbraw/zinc/78/79/42/349787942.db2.gz NDODDGYSJIAYAQ-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP C[C@H]1CCCC[NH+]1CCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358080 349787946 /nfs/dbraw/zinc/78/79/46/349787946.db2.gz NDODDGYSJIAYAQ-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623358080 349787951 /nfs/dbraw/zinc/78/79/51/349787951.db2.gz NDODDGYSJIAYAQ-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623358080 349787955 /nfs/dbraw/zinc/78/79/55/349787955.db2.gz NDODDGYSJIAYAQ-IRXDYDNUSA-N 2 1 295.515 3.103 20 0 CGADMP COc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623364014 349790173 /nfs/dbraw/zinc/79/01/73/349790173.db2.gz PDKMRIUPDMZUCV-HIFRSBDPSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623377090 349793579 /nfs/dbraw/zinc/79/35/79/349793579.db2.gz MKCAKFMYFWEDDD-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623377090 349793580 /nfs/dbraw/zinc/79/35/80/349793580.db2.gz MKCAKFMYFWEDDD-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccncc1 ZINC000358719120 529682060 /nfs/dbraw/zinc/68/20/60/529682060.db2.gz IZIBJZHXIFFJCQ-MRXNPFEDSA-N 2 1 275.440 3.385 20 0 CGADMP C[N@H+]1CC[C@H](NCc2ccc3ccccc3n2)CC1(C)C ZINC000623378834 349793853 /nfs/dbraw/zinc/79/38/53/349793853.db2.gz TYSYVRMTRPQEQJ-HNNXBMFYSA-N 2 1 283.419 3.197 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000623408169 349800633 /nfs/dbraw/zinc/80/06/33/349800633.db2.gz LJACIHKCWNNYIQ-ZBFHGGJFSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000623408169 349800636 /nfs/dbraw/zinc/80/06/36/349800636.db2.gz LJACIHKCWNNYIQ-ZBFHGGJFSA-N 2 1 276.399 3.275 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623428364 349805904 /nfs/dbraw/zinc/80/59/04/349805904.db2.gz IFQYKCYASAZNSY-QGZVFWFLSA-N 2 1 274.452 3.308 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1(C)C ZINC000623430836 349806910 /nfs/dbraw/zinc/80/69/10/349806910.db2.gz HZEFUBJNEQYZNQ-HRCADAONSA-N 2 1 264.457 3.418 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H]1OC ZINC000623452598 349812744 /nfs/dbraw/zinc/81/27/44/349812744.db2.gz JCLUFZFVCLAXQW-RRFJBIMHSA-N 2 1 282.472 3.043 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447286 349811569 /nfs/dbraw/zinc/81/15/69/349811569.db2.gz LTSBQHWSZKZGHJ-CJNGLKHVSA-N 2 1 288.435 3.145 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCCC2(C)C)CC1(C)C ZINC000623445855 349811614 /nfs/dbraw/zinc/81/16/14/349811614.db2.gz HNNJICZKXQQAOR-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623503024 349821553 /nfs/dbraw/zinc/82/15/53/349821553.db2.gz JEOSASXFCCODAD-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC1(C)C ZINC000623512725 349824285 /nfs/dbraw/zinc/82/42/85/349824285.db2.gz SCCKERBPEXFRHT-ULQDDVLXSA-N 2 1 272.436 3.395 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)CC1(C)C ZINC000623524062 349826128 /nfs/dbraw/zinc/82/61/28/349826128.db2.gz AHCPFJYGXHXWHO-OAHLLOKOSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2O1 ZINC000623537670 349829197 /nfs/dbraw/zinc/82/91/97/349829197.db2.gz BHUSKEUJXLTIBM-IJEWVQPXSA-N 2 1 288.435 3.361 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2O1 ZINC000623537670 349829199 /nfs/dbraw/zinc/82/91/99/349829199.db2.gz BHUSKEUJXLTIBM-IJEWVQPXSA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538103 349829619 /nfs/dbraw/zinc/82/96/19/349829619.db2.gz WSVWIZWOBYONKL-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(SCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000351493163 219104600 /nfs/dbraw/zinc/10/46/00/219104600.db2.gz MDYHIFNUQOCAGT-BHYGNILZSA-N 2 1 290.476 3.065 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657258 349858694 /nfs/dbraw/zinc/85/86/94/349858694.db2.gz MIEASSJFFVTZBM-DLBZAZTESA-N 2 1 274.452 3.248 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000623657529 349859925 /nfs/dbraw/zinc/85/99/25/349859925.db2.gz SVMKPQUIADQKIB-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@H]1CC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@H](C)C1 ZINC000623657696 349860101 /nfs/dbraw/zinc/86/01/01/349860101.db2.gz WUOZKEGIFSTRNT-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000128073377 187349504 /nfs/dbraw/zinc/34/95/04/187349504.db2.gz GIKZXOMBMQNCIX-ZIAGYGMSSA-N 2 1 278.465 3.242 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000623654720 349856553 /nfs/dbraw/zinc/85/65/53/349856553.db2.gz HBUGEFYIKOITCM-ZDUSSCGKSA-N 2 1 298.377 3.110 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000623654720 349856558 /nfs/dbraw/zinc/85/65/58/349856558.db2.gz HBUGEFYIKOITCM-ZDUSSCGKSA-N 2 1 298.377 3.110 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000623656938 349857642 /nfs/dbraw/zinc/85/76/42/349857642.db2.gz GCJKPGNOZYTPKX-LEXSJLIMSA-N 2 1 276.399 3.160 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000623657201 349857826 /nfs/dbraw/zinc/85/78/26/349857826.db2.gz LCAYOHBWPSZDJO-ZDUSSCGKSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000623657201 349857829 /nfs/dbraw/zinc/85/78/29/349857829.db2.gz LCAYOHBWPSZDJO-ZDUSSCGKSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@@H+](CCCCOc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000357903885 529885181 /nfs/dbraw/zinc/88/51/81/529885181.db2.gz MCLYDIJWOHWAHH-QGZVFWFLSA-N 2 1 290.451 3.119 20 0 CGADMP C[NH+](CCCCOc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000357903885 529885182 /nfs/dbraw/zinc/88/51/82/529885182.db2.gz MCLYDIJWOHWAHH-QGZVFWFLSA-N 2 1 290.451 3.119 20 0 CGADMP C[NH+](CCCCOc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000357903885 529885183 /nfs/dbraw/zinc/88/51/83/529885183.db2.gz MCLYDIJWOHWAHH-QGZVFWFLSA-N 2 1 290.451 3.119 20 0 CGADMP C[N@@H+](CCSc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000355898437 529929057 /nfs/dbraw/zinc/92/90/57/529929057.db2.gz WVJWYBXHAIFHEY-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP C[NH+](CCSc1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000355898437 529929058 /nfs/dbraw/zinc/92/90/58/529929058.db2.gz WVJWYBXHAIFHEY-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP C[NH+](CCSc1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000355898437 529929059 /nfs/dbraw/zinc/92/90/59/529929059.db2.gz WVJWYBXHAIFHEY-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000351565924 219127803 /nfs/dbraw/zinc/12/78/03/219127803.db2.gz ATWVONFSSDZGOZ-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000351565924 219127804 /nfs/dbraw/zinc/12/78/04/219127804.db2.gz ATWVONFSSDZGOZ-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000351565924 219127805 /nfs/dbraw/zinc/12/78/05/219127805.db2.gz ATWVONFSSDZGOZ-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP C[NH2+]CCC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000435885284 529964718 /nfs/dbraw/zinc/96/47/18/529964718.db2.gz IEOJLCRXGMGTFX-UHFFFAOYSA-N 2 1 282.378 3.319 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000435885284 529964719 /nfs/dbraw/zinc/96/47/19/529964719.db2.gz IEOJLCRXGMGTFX-UHFFFAOYSA-N 2 1 282.378 3.319 20 0 CGADMP Cc1cc(C)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000043393727 344997832 /nfs/dbraw/zinc/99/78/32/344997832.db2.gz YJVJBBXSOVBHFT-MRXNPFEDSA-N 2 1 260.425 3.123 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000045135197 345020954 /nfs/dbraw/zinc/02/09/54/345020954.db2.gz JBUPQZIJSIYPNA-INIZCTEOSA-N 2 1 283.419 3.055 20 0 CGADMP CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057844175 345189087 /nfs/dbraw/zinc/18/90/87/345189087.db2.gz ZWUJMIMRTLZWFN-UHFFFAOYSA-N 2 1 260.425 3.240 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000079987827 345660782 /nfs/dbraw/zinc/66/07/82/345660782.db2.gz FDHQRQKVQQUVGN-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)n1 ZINC000080959345 345691863 /nfs/dbraw/zinc/69/18/63/345691863.db2.gz WUULRYXHBDVCOB-GFCCVEGCSA-N 2 1 298.415 3.399 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090015899 345777889 /nfs/dbraw/zinc/77/78/89/345777889.db2.gz ZCBAQQZIWPDARP-RDJZCZTQSA-N 2 1 274.452 3.185 20 0 CGADMP C[C@H]1CCC[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000092796683 345859142 /nfs/dbraw/zinc/85/91/42/345859142.db2.gz MELDFCKJHNEEIT-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccoc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066832 345829123 /nfs/dbraw/zinc/82/91/23/345829123.db2.gz BZOSPJPUHPMBAH-GDBMZVCRSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066832 345829124 /nfs/dbraw/zinc/82/91/24/345829124.db2.gz BZOSPJPUHPMBAH-GDBMZVCRSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066832 345829126 /nfs/dbraw/zinc/82/91/26/345829126.db2.gz BZOSPJPUHPMBAH-GDBMZVCRSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccoc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066832 345829129 /nfs/dbraw/zinc/82/91/29/345829129.db2.gz BZOSPJPUHPMBAH-GDBMZVCRSA-N 2 1 274.408 3.037 20 0 CGADMP [NH3+]Cc1cccc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000113524944 345960920 /nfs/dbraw/zinc/96/09/20/345960920.db2.gz HLYLGGIAMXYWHO-UHFFFAOYSA-N 2 1 278.399 3.435 20 0 CGADMP CC1([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000145356863 346120239 /nfs/dbraw/zinc/12/02/39/346120239.db2.gz KXDRQWBIKCVRSW-UHFFFAOYSA-N 2 1 273.207 3.225 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248374587 346375591 /nfs/dbraw/zinc/37/55/91/346375591.db2.gz RQSNDNGVOCDJAJ-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000310759398 346471970 /nfs/dbraw/zinc/47/19/70/346471970.db2.gz KVRLDRYQKBHFKN-HOCLYGCPSA-N 2 1 252.446 3.133 20 0 CGADMP COc1ccc(C)cc1[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119651 349975242 /nfs/dbraw/zinc/97/52/42/349975242.db2.gz GQXJHSCJYZXSHR-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624119651 349975245 /nfs/dbraw/zinc/97/52/45/349975245.db2.gz GQXJHSCJYZXSHR-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119651 349975248 /nfs/dbraw/zinc/97/52/48/349975248.db2.gz GQXJHSCJYZXSHR-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC2CCC1CC2 ZINC000400179765 346589671 /nfs/dbraw/zinc/58/96/71/346589671.db2.gz SZTFYJRONGTCSM-NRXISQOPSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000351851277 219225910 /nfs/dbraw/zinc/22/59/10/219225910.db2.gz KZJVQYFHKLQJHX-NWDGAFQWSA-N 2 1 284.856 3.101 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000351862492 219229721 /nfs/dbraw/zinc/22/97/21/219229721.db2.gz POIYMZOYUQNEEG-GJZGRUSLSA-N 2 1 290.451 3.032 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000624120185 349976671 /nfs/dbraw/zinc/97/66/71/349976671.db2.gz UAWIKUJUFNTEQA-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000624120185 349976673 /nfs/dbraw/zinc/97/66/73/349976673.db2.gz UAWIKUJUFNTEQA-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(F)c1 ZINC000624120214 349976808 /nfs/dbraw/zinc/97/68/08/349976808.db2.gz UMXCBXMCGJMVNL-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(F)c1 ZINC000624120214 349976812 /nfs/dbraw/zinc/97/68/12/349976812.db2.gz UMXCBXMCGJMVNL-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120058 349977022 /nfs/dbraw/zinc/97/70/22/349977022.db2.gz QOSUJYPHSOQHTB-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000351866792 219232340 /nfs/dbraw/zinc/23/23/40/219232340.db2.gz VSPSRBPAHJZLIN-KDOFPFPSSA-N 2 1 268.404 3.051 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120693 349978596 /nfs/dbraw/zinc/97/85/96/349978596.db2.gz FGRVLAKESUTITB-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccncc1 ZINC000624123497 349983295 /nfs/dbraw/zinc/98/32/95/349983295.db2.gz NFOLDXHNIJXARB-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339437091 215169341 /nfs/dbraw/zinc/16/93/41/215169341.db2.gz DIZGEVDSLQHLCI-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000339437091 215169342 /nfs/dbraw/zinc/16/93/42/215169342.db2.gz DIZGEVDSLQHLCI-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000339437091 215169345 /nfs/dbraw/zinc/16/93/45/215169345.db2.gz DIZGEVDSLQHLCI-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000358039295 233044347 /nfs/dbraw/zinc/04/43/47/233044347.db2.gz ACUKXXRVXXYGNG-HUUCEWRRSA-N 2 1 278.440 3.040 20 0 CGADMP FC(F)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358101412 233058120 /nfs/dbraw/zinc/05/81/20/233058120.db2.gz UPJYTBMWEXYXFA-KGLIPLIRSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358101412 233058122 /nfs/dbraw/zinc/05/81/22/233058122.db2.gz UPJYTBMWEXYXFA-KGLIPLIRSA-N 2 1 296.361 3.004 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000358744960 233188498 /nfs/dbraw/zinc/18/84/98/233188498.db2.gz DPJXZVLRAOZULE-MRXNPFEDSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000358744957 233188544 /nfs/dbraw/zinc/18/85/44/233188544.db2.gz DPJXZVLRAOZULE-INIZCTEOSA-N 2 1 293.361 3.457 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213161 191005096 /nfs/dbraw/zinc/00/50/96/191005096.db2.gz VLIBJZBBKRVTHU-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213161 191005097 /nfs/dbraw/zinc/00/50/97/191005097.db2.gz VLIBJZBBKRVTHU-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213161 191005099 /nfs/dbraw/zinc/00/50/99/191005099.db2.gz VLIBJZBBKRVTHU-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(O)ccc2Cl)C[C@@H]1C ZINC000625213623 350141634 /nfs/dbraw/zinc/14/16/34/350141634.db2.gz MRKPPAHQVXMDNY-GXTWGEPZSA-N 2 1 296.842 3.350 20 0 CGADMP CCO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000625318629 350158336 /nfs/dbraw/zinc/15/83/36/350158336.db2.gz FTCKQPFTYQCALJ-QILLFSRXSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cccnc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000359726717 233366852 /nfs/dbraw/zinc/36/68/52/233366852.db2.gz GXLNMQHFFZMLAQ-HOTGVXAUSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cccnc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000359726717 233366855 /nfs/dbraw/zinc/36/68/55/233366855.db2.gz GXLNMQHFFZMLAQ-HOTGVXAUSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000359882917 233388554 /nfs/dbraw/zinc/38/85/54/233388554.db2.gz WIYUHOZZUWHEFT-WMLDXEAASA-N 2 1 284.407 3.060 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000359882917 233388558 /nfs/dbraw/zinc/38/85/58/233388558.db2.gz WIYUHOZZUWHEFT-WMLDXEAASA-N 2 1 284.407 3.060 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000626164137 350274944 /nfs/dbraw/zinc/27/49/44/350274944.db2.gz XHTCOYKWVIOWNO-WNEUIUNWSA-N 2 1 250.430 3.149 20 0 CGADMP C/C=C/C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000626164137 350274948 /nfs/dbraw/zinc/27/49/48/350274948.db2.gz XHTCOYKWVIOWNO-WNEUIUNWSA-N 2 1 250.430 3.149 20 0 CGADMP C/C=C/C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000626164137 350274950 /nfs/dbraw/zinc/27/49/50/350274950.db2.gz XHTCOYKWVIOWNO-WNEUIUNWSA-N 2 1 250.430 3.149 20 0 CGADMP C[C@]1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCS1 ZINC000628190780 350433564 /nfs/dbraw/zinc/43/35/64/350433564.db2.gz QBXRVUBXJLPTHK-HYVNUMGLSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCS1 ZINC000628190780 350433567 /nfs/dbraw/zinc/43/35/67/350433567.db2.gz QBXRVUBXJLPTHK-HYVNUMGLSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCS1 ZINC000628190780 350433569 /nfs/dbraw/zinc/43/35/69/350433569.db2.gz QBXRVUBXJLPTHK-HYVNUMGLSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCS1 ZINC000628190780 350433572 /nfs/dbraw/zinc/43/35/72/350433572.db2.gz QBXRVUBXJLPTHK-HYVNUMGLSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCS1 ZINC000628181439 350426366 /nfs/dbraw/zinc/42/63/66/350426366.db2.gz CKICFSGXQZWQQQ-HZPDHXFCSA-N 2 1 282.497 3.222 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3[nH]ccc3c2)C[C@@H]1C ZINC000628183270 350427104 /nfs/dbraw/zinc/42/71/04/350427104.db2.gz VNPAVRIIGVDXNY-YOEHRIQHSA-N 2 1 285.435 3.473 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000628183133 350427617 /nfs/dbraw/zinc/42/76/17/350427617.db2.gz RONCNSXGLCOIRE-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000628203093 350439350 /nfs/dbraw/zinc/43/93/50/350439350.db2.gz SRCFACOOIWNIKG-KBAYOESNSA-N 2 1 272.436 3.315 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000628203093 350439352 /nfs/dbraw/zinc/43/93/52/350439352.db2.gz SRCFACOOIWNIKG-KBAYOESNSA-N 2 1 272.436 3.315 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628208148 350440294 /nfs/dbraw/zinc/44/02/94/350440294.db2.gz AHWMMQHASVXHDI-SJORKVTESA-N 2 1 274.452 3.420 20 0 CGADMP Cc1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)o1 ZINC000628209877 350441507 /nfs/dbraw/zinc/44/15/07/350441507.db2.gz XKHKWEOGLMKTIH-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1ncc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000628209877 350441509 /nfs/dbraw/zinc/44/15/09/350441509.db2.gz XKHKWEOGLMKTIH-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000628292736 350481292 /nfs/dbraw/zinc/48/12/92/350481292.db2.gz RCOVNPODGGJZHO-AEFFLSMTSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000628292736 350481295 /nfs/dbraw/zinc/48/12/95/350481295.db2.gz RCOVNPODGGJZHO-AEFFLSMTSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000628292736 350481299 /nfs/dbraw/zinc/48/12/99/350481299.db2.gz RCOVNPODGGJZHO-AEFFLSMTSA-N 2 1 272.436 3.126 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000629542670 350708505 /nfs/dbraw/zinc/70/85/05/350708505.db2.gz INYQOLHNTMSZPV-SPUZQDLCSA-N 2 1 272.436 3.128 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000629556442 350712733 /nfs/dbraw/zinc/71/27/33/350712733.db2.gz PRXNUIKTWZYWGA-WDEREUQCSA-N 2 1 268.351 3.059 20 0 CGADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407678 350689282 /nfs/dbraw/zinc/68/92/82/350689282.db2.gz HUIUSJMGOVRPSS-ISTVAULSSA-N 2 1 287.234 3.264 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000630557117 350853169 /nfs/dbraw/zinc/85/31/69/350853169.db2.gz HDSLECSINXFUKT-MWLCHTKSSA-N 2 1 295.308 3.180 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC1(C)C ZINC000631246030 351004399 /nfs/dbraw/zinc/00/43/99/351004399.db2.gz WSHIXKMEWAPWEO-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)[C@H](C)C1 ZINC000631731366 351130399 /nfs/dbraw/zinc/13/03/99/351130399.db2.gz MNEVADAJPXAXOT-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000291374549 198003902 /nfs/dbraw/zinc/00/39/02/198003902.db2.gz YYUFMFVENFXQOS-MSOLQXFVSA-N 2 1 270.420 3.089 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc2ncccc12 ZINC000634687736 351573513 /nfs/dbraw/zinc/57/35/13/351573513.db2.gz XRPAODXBHAJWCS-MRXNPFEDSA-N 2 1 271.408 3.040 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2c1 ZINC000634688264 351573751 /nfs/dbraw/zinc/57/37/51/351573751.db2.gz NILNWXBSGCZZMO-FUHWJXTLSA-N 2 1 295.430 3.199 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2c1 ZINC000634688266 351573956 /nfs/dbraw/zinc/57/39/56/351573956.db2.gz NILNWXBSGCZZMO-WMZOPIPTSA-N 2 1 295.430 3.199 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cn1 ZINC000635012674 351630742 /nfs/dbraw/zinc/63/07/42/351630742.db2.gz VGHKMWDIFIXUNJ-KBPBESRZSA-N 2 1 279.403 3.040 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccccc2)CC[N@@H+]1C ZINC000123442109 187091970 /nfs/dbraw/zinc/09/19/70/187091970.db2.gz UNLLPWJYTUVAIR-NVXWUHKLSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccccc2)CC[N@H+]1C ZINC000123442109 187091971 /nfs/dbraw/zinc/09/19/71/187091971.db2.gz UNLLPWJYTUVAIR-NVXWUHKLSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2ccccc2)CC[NH+]1C ZINC000123442109 187091972 /nfs/dbraw/zinc/09/19/72/187091972.db2.gz UNLLPWJYTUVAIR-NVXWUHKLSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CC[NH+]1C ZINC000123442109 187091973 /nfs/dbraw/zinc/09/19/73/187091973.db2.gz UNLLPWJYTUVAIR-NVXWUHKLSA-N 2 1 260.425 3.034 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc2cccnc21)C1CC[NH2+]CC1 ZINC000336481173 213351600 /nfs/dbraw/zinc/35/16/00/213351600.db2.gz RFQYKXCNIIIMIN-UHFFFAOYSA-N 2 1 289.810 3.072 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292256967 198221309 /nfs/dbraw/zinc/22/13/09/198221309.db2.gz YECHHHWMKNBCDL-IRXDYDNUSA-N 2 1 258.409 3.165 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292256967 198221311 /nfs/dbraw/zinc/22/13/11/198221311.db2.gz YECHHHWMKNBCDL-IRXDYDNUSA-N 2 1 258.409 3.165 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292256967 198221312 /nfs/dbraw/zinc/22/13/12/198221312.db2.gz YECHHHWMKNBCDL-IRXDYDNUSA-N 2 1 258.409 3.165 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000153105544 188064709 /nfs/dbraw/zinc/06/47/09/188064709.db2.gz VZYGDKBRGWIEPZ-CXAGYDPISA-N 2 1 285.391 3.010 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000153463565 188083686 /nfs/dbraw/zinc/08/36/86/188083686.db2.gz ZENPHUZWKBNBPF-CZUORRHYSA-N 2 1 285.391 3.010 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccccc23)[C@H](C)C1 ZINC000156328090 188255405 /nfs/dbraw/zinc/25/54/05/188255405.db2.gz JTFKWSKFMLBWKR-QAPCUYQASA-N 2 1 299.462 3.420 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292702812 198381479 /nfs/dbraw/zinc/38/14/79/198381479.db2.gz CMJVOLJUPXCQND-SFHVURJKSA-N 2 1 288.435 3.071 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000271842356 191360555 /nfs/dbraw/zinc/36/05/55/191360555.db2.gz KXRBVEBLSZSUKF-YJBOKZPZSA-N 2 1 290.451 3.184 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271884009 191387498 /nfs/dbraw/zinc/38/74/98/191387498.db2.gz QHGGNYLJBOFJCP-HNNXBMFYSA-N 2 1 288.435 3.386 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000414177573 235354949 /nfs/dbraw/zinc/35/49/49/235354949.db2.gz JVGIUNCLUYANDF-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273773892 192301176 /nfs/dbraw/zinc/30/11/76/192301176.db2.gz RMEHQJQFYDQOJB-NVXWUHKLSA-N 2 1 292.492 3.382 20 0 CGADMP CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273773892 192301177 /nfs/dbraw/zinc/30/11/77/192301177.db2.gz RMEHQJQFYDQOJB-NVXWUHKLSA-N 2 1 292.492 3.382 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091287719 138343914 /nfs/dbraw/zinc/34/39/14/138343914.db2.gz AYFNRPQKKFQDLL-CRAIPNDOSA-N 2 1 290.451 3.324 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868741 138355689 /nfs/dbraw/zinc/35/56/89/138355689.db2.gz ZMHZIJXQROOESX-UONOGXRCSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868741 138355691 /nfs/dbraw/zinc/35/56/91/138355691.db2.gz ZMHZIJXQROOESX-UONOGXRCSA-N 2 1 296.361 3.004 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868503 138356227 /nfs/dbraw/zinc/35/62/27/138356227.db2.gz QHXFMWUVDHBFMK-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)CCOc2ccccc2F)CC1 ZINC000109786395 138362461 /nfs/dbraw/zinc/36/24/61/138362461.db2.gz RMYCADQSQFFAJG-UHFFFAOYSA-N 2 1 294.414 3.011 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccccc2F)CC1 ZINC000109786395 138362462 /nfs/dbraw/zinc/36/24/62/138362462.db2.gz RMYCADQSQFFAJG-UHFFFAOYSA-N 2 1 294.414 3.011 20 0 CGADMP C[N@@H+](Cc1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000111824599 138364510 /nfs/dbraw/zinc/36/45/10/138364510.db2.gz TVLDACBEYIQJJB-AWEZNQCLSA-N 2 1 297.240 3.023 20 0 CGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCOC1 ZINC000123975460 138372071 /nfs/dbraw/zinc/37/20/71/138372071.db2.gz XDUVTENRSKWJDD-QZTJIDSGSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Cl ZINC000124280497 138374055 /nfs/dbraw/zinc/37/40/55/138374055.db2.gz JWSQDKOCWNHDQU-UHFFFAOYSA-N 2 1 266.816 3.224 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c2ccccc2n1 ZINC000128438436 138393886 /nfs/dbraw/zinc/39/38/86/138393886.db2.gz XZUJSSNRKLKSAV-QGZVFWFLSA-N 2 1 285.435 3.348 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000423234892 236004434 /nfs/dbraw/zinc/00/44/34/236004434.db2.gz MMEMYABUBHAPBQ-RWMBFGLXSA-N 2 1 289.448 3.130 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423364562 236052056 /nfs/dbraw/zinc/05/20/56/236052056.db2.gz CJRYVBHDJZKXIA-IINYFYTJSA-N 2 1 252.789 3.118 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423373680 236053786 /nfs/dbraw/zinc/05/37/86/236053786.db2.gz JIJGENPSIAIIRJ-RWMBFGLXSA-N 2 1 298.377 3.388 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423406584 236066216 /nfs/dbraw/zinc/06/62/16/236066216.db2.gz UWOSEYZZUSOWJV-CORIIIEPSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000423476503 236081245 /nfs/dbraw/zinc/08/12/45/236081245.db2.gz LPZZXWCUSDHUKM-TUUVXOQKSA-N 2 1 294.389 3.013 20 0 CGADMP Cc1cc(F)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000424174943 236128196 /nfs/dbraw/zinc/12/81/96/236128196.db2.gz PROSRIDAWXYQMR-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc3c(c1)CCC3)CC[NH2+]CC2 ZINC000424289010 236142800 /nfs/dbraw/zinc/14/28/00/236142800.db2.gz LFNYIODXNCPZIV-HNNXBMFYSA-N 2 1 284.447 3.139 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000424332461 236151609 /nfs/dbraw/zinc/15/16/09/236151609.db2.gz WKMVWRQYADUFPE-ZSYWTGECSA-N 2 1 296.458 3.429 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H](C)C1 ZINC000252186233 291147545 /nfs/dbraw/zinc/14/75/45/291147545.db2.gz UIGUPOFCDBBEHJ-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H](C)C1 ZINC000252186233 291147547 /nfs/dbraw/zinc/14/75/47/291147547.db2.gz UIGUPOFCDBBEHJ-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)C[NH+](C)C ZINC000425947822 295974257 /nfs/dbraw/zinc/97/42/57/295974257.db2.gz XHXSJLQSUVQHTH-WFASDCNBSA-N 2 1 296.842 3.341 20 0 CGADMP C[C@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000488301535 291156018 /nfs/dbraw/zinc/15/60/18/291156018.db2.gz QRQUBEPDDAFXAR-ULQDDVLXSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436305548 237075263 /nfs/dbraw/zinc/07/52/63/237075263.db2.gz NKVFEFCLXAPEDL-ZPUIDXCVSA-N 2 1 294.389 3.141 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436305548 237075271 /nfs/dbraw/zinc/07/52/71/237075271.db2.gz NKVFEFCLXAPEDL-ZPUIDXCVSA-N 2 1 294.389 3.141 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000436275905 237067469 /nfs/dbraw/zinc/06/74/69/237067469.db2.gz PXERFEPDEVRBJN-QXAKKESOSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000093515804 296000198 /nfs/dbraw/zinc/00/01/98/296000198.db2.gz KAKFWFFXNXWFDA-RDJZCZTQSA-N 3 1 295.515 3.150 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297566602 200229441 /nfs/dbraw/zinc/22/94/41/200229441.db2.gz QWFRYRVUMXKDIH-ZWKOTPCHSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297566602 200229442 /nfs/dbraw/zinc/22/94/42/200229442.db2.gz QWFRYRVUMXKDIH-ZWKOTPCHSA-N 2 1 283.419 3.460 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000297598610 200237779 /nfs/dbraw/zinc/23/77/79/200237779.db2.gz HXWFPVHTBVDPJQ-RHSMWYFYSA-N 2 1 298.434 3.130 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000297598610 200237781 /nfs/dbraw/zinc/23/77/81/200237781.db2.gz HXWFPVHTBVDPJQ-RHSMWYFYSA-N 2 1 298.434 3.130 20 0 CGADMP FCCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000341830957 216121515 /nfs/dbraw/zinc/12/15/15/216121515.db2.gz HRNCIYFKJHDARC-UHFFFAOYSA-N 2 1 256.409 3.077 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000178702202 189139047 /nfs/dbraw/zinc/13/90/47/189139047.db2.gz BNHHCOFHOIRXMJ-GHMZBOCLSA-N 2 1 292.452 3.252 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342085281 216212169 /nfs/dbraw/zinc/21/21/69/216212169.db2.gz MGIBGPYKXKTELY-WGHIXYSZSA-N 2 1 294.389 3.475 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1F ZINC000179009793 189161592 /nfs/dbraw/zinc/16/15/92/189161592.db2.gz JMXWVEFMAIWZDC-NSHDSACASA-N 2 1 295.789 3.410 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-n2cccn2)cc1 ZINC000180855414 189280091 /nfs/dbraw/zinc/28/00/91/189280091.db2.gz KIOWFWMMDBCMSN-WBVHZDCISA-N 2 1 298.434 3.007 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000181495858 189298302 /nfs/dbraw/zinc/29/83/02/189298302.db2.gz UXWZIEMWYOSOHH-CYBMUJFWSA-N 2 1 273.380 3.028 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000181844410 189308358 /nfs/dbraw/zinc/30/83/58/189308358.db2.gz ZZRABSRIHXAALL-RDJZCZTQSA-N 2 1 276.424 3.220 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301530265 201050618 /nfs/dbraw/zinc/05/06/18/201050618.db2.gz KVVFUXMAGSIKHS-CYBMUJFWSA-N 2 1 287.382 3.152 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCOCc2ccccc2)CC[N@@H+]1C ZINC000182438902 189323387 /nfs/dbraw/zinc/32/33/87/189323387.db2.gz QSERMIABNCWEKC-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCOCc2ccccc2)CC[N@H+]1C ZINC000182438902 189323388 /nfs/dbraw/zinc/32/33/88/189323388.db2.gz QSERMIABNCWEKC-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCOCc2ccccc2)CC[NH+]1C ZINC000182438902 189323389 /nfs/dbraw/zinc/32/33/89/189323389.db2.gz QSERMIABNCWEKC-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCOCc2ccccc2)CC[NH+]1C ZINC000182438902 189323390 /nfs/dbraw/zinc/32/33/90/189323390.db2.gz QSERMIABNCWEKC-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1F ZINC000449328361 239319059 /nfs/dbraw/zinc/31/90/59/239319059.db2.gz FLFISSSHTMIGGC-GDBMZVCRSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1F ZINC000449328361 239319067 /nfs/dbraw/zinc/31/90/67/239319067.db2.gz FLFISSSHTMIGGC-GDBMZVCRSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1F ZINC000449328361 239319070 /nfs/dbraw/zinc/31/90/70/239319070.db2.gz FLFISSSHTMIGGC-GDBMZVCRSA-N 2 1 276.399 3.050 20 0 CGADMP CC[C@H](C)C[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000120492768 370772948 /nfs/dbraw/zinc/77/29/48/370772948.db2.gz KWZBPARRXIECGU-AWEZNQCLSA-N 2 1 251.418 3.340 20 0 CGADMP CC[C@H](C)C[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000120492768 370772954 /nfs/dbraw/zinc/77/29/54/370772954.db2.gz KWZBPARRXIECGU-AWEZNQCLSA-N 2 1 251.418 3.340 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000335634203 212348816 /nfs/dbraw/zinc/34/88/16/212348816.db2.gz NHCUIZLBIGIRDK-QZTJIDSGSA-N 2 1 295.430 3.056 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC000450750639 240068537 /nfs/dbraw/zinc/06/85/37/240068537.db2.gz BEYBZVSLFKZIFI-AEFFLSMTSA-N 2 1 294.483 3.213 20 0 CGADMP Cc1[nH+]c2ccccc2c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000450829730 240104302 /nfs/dbraw/zinc/10/43/02/240104302.db2.gz QJTXPKDWQGXGKA-MQVJKMGUSA-N 2 1 295.430 3.311 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(F)cc1 ZINC000275650545 193095150 /nfs/dbraw/zinc/09/51/50/193095150.db2.gz CESDNSZSFRHKPQ-GJZGRUSLSA-N 2 1 278.415 3.203 20 0 CGADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000275650545 193095152 /nfs/dbraw/zinc/09/51/52/193095152.db2.gz CESDNSZSFRHKPQ-GJZGRUSLSA-N 2 1 278.415 3.203 20 0 CGADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000275650545 193095154 /nfs/dbraw/zinc/09/51/54/193095154.db2.gz CESDNSZSFRHKPQ-GJZGRUSLSA-N 2 1 278.415 3.203 20 0 CGADMP Cc1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000302592087 201485388 /nfs/dbraw/zinc/48/53/88/201485388.db2.gz WKWYUIUWGDJLQX-GOSISDBHSA-N 2 1 295.430 3.367 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(Br)c1 ZINC000424302576 299370532 /nfs/dbraw/zinc/37/05/32/299370532.db2.gz ZXQJXPIAOYSXRN-ZLKJLUDKSA-N 2 1 297.240 3.370 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000459342488 242080151 /nfs/dbraw/zinc/08/01/51/242080151.db2.gz ROXDGPNFZNVQFQ-UHFFFAOYSA-N 2 1 280.843 3.156 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000459361313 242088921 /nfs/dbraw/zinc/08/89/21/242088921.db2.gz GESLBBMHWHXBNE-WNHJNPCNSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000459361313 242088926 /nfs/dbraw/zinc/08/89/26/242088926.db2.gz GESLBBMHWHXBNE-WNHJNPCNSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000459361313 242088930 /nfs/dbraw/zinc/08/89/30/242088930.db2.gz GESLBBMHWHXBNE-WNHJNPCNSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@@H](CCc1ccccc1F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459792509 242237296 /nfs/dbraw/zinc/23/72/96/242237296.db2.gz SEMCEJJPSLRIHS-HOTGVXAUSA-N 2 1 292.442 3.468 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCCC1 ZINC000462796424 242362664 /nfs/dbraw/zinc/36/26/64/242362664.db2.gz PCZRDWIKEKLVRV-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000121712616 370888955 /nfs/dbraw/zinc/88/89/55/370888955.db2.gz FGSHVQOVRNOCRI-UHFFFAOYSA-N 2 1 260.425 3.082 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480662800 243159449 /nfs/dbraw/zinc/15/94/49/243159449.db2.gz WGKLZCCTXMXYMS-DYVFJYSZSA-N 2 1 296.405 3.217 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480691986 243162264 /nfs/dbraw/zinc/16/22/64/243162264.db2.gz XPERFKKATJNMRW-HOCLYGCPSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1ccc(CSCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000480031563 243134373 /nfs/dbraw/zinc/13/43/73/243134373.db2.gz XTXITELNENLTGY-WBVHZDCISA-N 2 1 292.492 3.158 20 0 CGADMP Fc1ccc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000483110493 243258739 /nfs/dbraw/zinc/25/87/39/243258739.db2.gz NLNPOLAASUFZLZ-KRWDZBQOSA-N 2 1 290.426 3.491 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000019905870 368779255 /nfs/dbraw/zinc/77/92/55/368779255.db2.gz ZXLZDZBPINMLFY-CQSZACIVSA-N 2 1 278.440 3.242 20 0 CGADMP C[C@H](C[NH2+]Cc1cnc(-c2ccsc2)s1)C[NH+](C)C ZINC000491594572 243806780 /nfs/dbraw/zinc/80/67/80/243806780.db2.gz RLGMATROVLSZPE-LLVKDONJSA-N 2 1 295.477 3.159 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCc2ccccc2C1)C(C)C ZINC000034995917 368988391 /nfs/dbraw/zinc/98/83/91/368988391.db2.gz KCFQQVYGGCZCDT-GOSISDBHSA-N 2 1 274.452 3.252 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000037644147 369093686 /nfs/dbraw/zinc/09/36/86/369093686.db2.gz ZZANQGZMDPWTOW-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649161 369094634 /nfs/dbraw/zinc/09/46/34/369094634.db2.gz TVKMVNGKZIYISZ-YOEHRIQHSA-N 2 1 258.409 3.212 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000037644514 369095766 /nfs/dbraw/zinc/09/57/66/369095766.db2.gz IXLCQNZLBUFULZ-YJBOKZPZSA-N 2 1 272.436 3.378 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037649528 369097511 /nfs/dbraw/zinc/09/75/11/369097511.db2.gz YOULCIPDELZFLV-CHWSQXEVSA-N 2 1 264.438 3.191 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000037977176 369129525 /nfs/dbraw/zinc/12/95/25/369129525.db2.gz HXZCKXBIARQZNK-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2ccccc12 ZINC000041720395 369196003 /nfs/dbraw/zinc/19/60/03/369196003.db2.gz QPSPUFMVHNAOMW-CYBMUJFWSA-N 2 1 255.365 3.131 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(Cl)c1 ZINC000042437371 369220500 /nfs/dbraw/zinc/22/05/00/369220500.db2.gz QTASOUHWJQYIGO-UHFFFAOYSA-N 2 1 266.816 3.162 20 0 CGADMP CCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000051718344 369453721 /nfs/dbraw/zinc/45/37/21/369453721.db2.gz HTBWXVUYCBOGRM-UHFFFAOYSA-N 2 1 264.438 3.027 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC000072858095 369841115 /nfs/dbraw/zinc/84/11/15/369841115.db2.gz UZFYLCIANDFLGL-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000072858095 369841119 /nfs/dbraw/zinc/84/11/19/369841119.db2.gz UZFYLCIANDFLGL-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000072858095 369841124 /nfs/dbraw/zinc/84/11/24/369841124.db2.gz UZFYLCIANDFLGL-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000070148354 369782492 /nfs/dbraw/zinc/78/24/92/369782492.db2.gz PJGMENLUDHYVND-CYBMUJFWSA-N 2 1 286.341 3.409 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000070148354 369782497 /nfs/dbraw/zinc/78/24/97/369782497.db2.gz PJGMENLUDHYVND-CYBMUJFWSA-N 2 1 286.341 3.409 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000070169352 369786318 /nfs/dbraw/zinc/78/63/18/369786318.db2.gz KKCDRRQNLIROGP-GFCCVEGCSA-N 2 1 297.240 3.010 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000070174970 369787958 /nfs/dbraw/zinc/78/79/58/369787958.db2.gz IGKPRMCTFWLCHJ-VXGBXAGGSA-N 2 1 289.810 3.452 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000085097500 370016615 /nfs/dbraw/zinc/01/66/15/370016615.db2.gz VJOCMFBHIPHOBC-YIDVYQOGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000085097500 370016619 /nfs/dbraw/zinc/01/66/19/370016619.db2.gz VJOCMFBHIPHOBC-YIDVYQOGSA-N 2 1 250.430 3.028 20 0 CGADMP CC1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000080275625 369985793 /nfs/dbraw/zinc/98/57/93/369985793.db2.gz VPKOLLBOWDOJQB-UHFFFAOYSA-N 2 1 258.409 3.039 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000092835390 370104229 /nfs/dbraw/zinc/10/42/29/370104229.db2.gz HGBQWCDMGMEEFR-KRWDZBQOSA-N 2 1 276.424 3.004 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000423276156 296153311 /nfs/dbraw/zinc/15/33/11/296153311.db2.gz MLJUMZKKIQEJRB-AXNUBFLRSA-N 2 1 278.362 3.071 20 0 CGADMP C[N@@H+](CCC(F)(F)F)Cc1ccc(-n2ccnc2)cc1 ZINC000101545456 370289760 /nfs/dbraw/zinc/28/97/60/370289760.db2.gz OBNCTNJZSRIBLJ-UHFFFAOYSA-N 2 1 283.297 3.257 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130314510 371024906 /nfs/dbraw/zinc/02/49/06/371024906.db2.gz KOOPWTRNBQCLQG-CVEARBPZSA-N 2 1 272.436 3.438 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486288 371038524 /nfs/dbraw/zinc/03/85/24/371038524.db2.gz VRRUUUIJCFIFJS-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486288 371038526 /nfs/dbraw/zinc/03/85/26/371038526.db2.gz VRRUUUIJCFIFJS-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486288 371038528 /nfs/dbraw/zinc/03/85/28/371038528.db2.gz VRRUUUIJCFIFJS-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000130549955 371042963 /nfs/dbraw/zinc/04/29/63/371042963.db2.gz YNEHQDLRKRCKJC-RYQLBKOJSA-N 2 1 272.436 3.254 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000131447945 371108695 /nfs/dbraw/zinc/10/86/95/371108695.db2.gz KXIBWODILSLUHY-MRXNPFEDSA-N 2 1 276.424 3.222 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000132752990 371198953 /nfs/dbraw/zinc/19/89/53/371198953.db2.gz SLZKYZMLWFXUDH-CRAIPNDOSA-N 2 1 289.467 3.199 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000537851760 376204123 /nfs/dbraw/zinc/20/41/23/376204123.db2.gz QKSPKGNXDJXCOB-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000537851760 376204126 /nfs/dbraw/zinc/20/41/26/376204126.db2.gz QKSPKGNXDJXCOB-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000537851760 376204132 /nfs/dbraw/zinc/20/41/32/376204132.db2.gz QKSPKGNXDJXCOB-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150750002 371536373 /nfs/dbraw/zinc/53/63/73/371536373.db2.gz SMYPEJISSQXWNL-QGZVFWFLSA-N 2 1 272.436 3.221 20 0 CGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccccc2F)C1 ZINC000151093945 371566056 /nfs/dbraw/zinc/56/60/56/371566056.db2.gz HVRDHBIGCQTBKD-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000151093945 371566064 /nfs/dbraw/zinc/56/60/64/371566064.db2.gz HVRDHBIGCQTBKD-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000151093945 371566070 /nfs/dbraw/zinc/56/60/70/371566070.db2.gz HVRDHBIGCQTBKD-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000151107281 371569895 /nfs/dbraw/zinc/56/98/95/371569895.db2.gz FKEXKGGTORUZRD-HOTGVXAUSA-N 2 1 252.446 3.443 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000152010248 371665049 /nfs/dbraw/zinc/66/50/49/371665049.db2.gz DKQTXKPUBIUIIS-VYDXJSESSA-N 2 1 260.425 3.028 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421821851 371642617 /nfs/dbraw/zinc/64/26/17/371642617.db2.gz ULROTYRKTMLGKJ-CHWSQXEVSA-N 2 1 298.833 3.342 20 0 CGADMP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)s1 ZINC000151957037 371658095 /nfs/dbraw/zinc/65/80/95/371658095.db2.gz YEVSNPSPWAZUJY-JTQLQIEISA-N 2 1 260.834 3.394 20 0 CGADMP CSc1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422626025 371755267 /nfs/dbraw/zinc/75/52/67/371755267.db2.gz DBLKXLNXKCUFPZ-GUTXKFCHSA-N 2 1 278.465 3.214 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422718150 371766477 /nfs/dbraw/zinc/76/64/77/371766477.db2.gz PFHMYVBRLJPWGK-UONOGXRCSA-N 2 1 269.392 3.339 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422734427 371774081 /nfs/dbraw/zinc/77/40/81/371774081.db2.gz SZPSUOLWPMSFQE-BDAKNGLRSA-N 2 1 261.196 3.209 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000153537833 371774380 /nfs/dbraw/zinc/77/43/80/371774380.db2.gz HAEPZZDHKROVLJ-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCC1(F)F ZINC000289653370 371784664 /nfs/dbraw/zinc/78/46/64/371784664.db2.gz DXLIYOUQFJDAHA-ZDUSSCGKSA-N 2 1 291.345 3.349 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422755045 371788053 /nfs/dbraw/zinc/78/80/53/371788053.db2.gz FGZFPFJPFZGSKX-KGLIPLIRSA-N 2 1 284.350 3.038 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422761579 371789281 /nfs/dbraw/zinc/78/92/81/371789281.db2.gz MWWZPAPGLBJHGS-CJNGLKHVSA-N 2 1 278.415 3.224 20 0 CGADMP Cc1ccncc1CCC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000289724078 371802448 /nfs/dbraw/zinc/80/24/48/371802448.db2.gz OOUSYWNLNVSWOH-GOSISDBHSA-N 2 1 298.434 3.283 20 0 CGADMP c1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000422868580 371846693 /nfs/dbraw/zinc/84/66/93/371846693.db2.gz VNXCVLUTRCEZOQ-HOTGVXAUSA-N 2 1 272.417 3.331 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1c[nH+]ccc1N ZINC000422892846 371857969 /nfs/dbraw/zinc/85/79/69/371857969.db2.gz ZMNHJBVXHJTMGU-ZDUSSCGKSA-N 2 1 294.402 3.259 20 0 CGADMP C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422902093 371861321 /nfs/dbraw/zinc/86/13/21/371861321.db2.gz CXGSTFSCGRVLRU-ZDUSSCGKSA-N 2 1 299.443 3.470 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000422925517 371873397 /nfs/dbraw/zinc/87/33/97/371873397.db2.gz AVWVWASBVBILRZ-MNOVXSKESA-N 2 1 258.818 3.151 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)c1c[nH+]ccc1N ZINC000422852942 371840301 /nfs/dbraw/zinc/84/03/01/371840301.db2.gz YIIZHGZQXXSCKB-CYBMUJFWSA-N 2 1 299.393 3.406 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1OC ZINC000344098286 217049261 /nfs/dbraw/zinc/04/92/61/217049261.db2.gz JCLZAZZWNSLYLY-ZACQAIPSSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC(C)(C)C ZINC000423057331 371937468 /nfs/dbraw/zinc/93/74/68/371937468.db2.gz HBGZHQLETMPOOZ-YYIAUSFCSA-N 2 1 296.499 3.196 20 0 CGADMP CC1(C)C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422954303 371891051 /nfs/dbraw/zinc/89/10/51/371891051.db2.gz HXACQSRNNQMCCC-OAGGEKHMSA-N 2 1 258.409 3.115 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C/C=C\c1ccccc1 ZINC000422975261 371897933 /nfs/dbraw/zinc/89/79/33/371897933.db2.gz GILSNOZKOPOQIY-OKIWSPPFSA-N 2 1 280.415 3.248 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Nc1ccccc1 ZINC000422980242 371899620 /nfs/dbraw/zinc/89/96/20/371899620.db2.gz OYVOIOZFWJXCIM-KDOFPFPSSA-N 2 1 298.434 3.281 20 0 CGADMP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423006013 371912676 /nfs/dbraw/zinc/91/26/76/371912676.db2.gz UBNGRMRHEGQDFN-WFASDCNBSA-N 2 1 296.842 3.216 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000423011460 371914030 /nfs/dbraw/zinc/91/40/30/371914030.db2.gz ZRMRLJLTEQONEU-KZNAEPCWSA-N 3 1 295.515 3.006 20 0 CGADMP CCCCCn1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(C)n1 ZINC000423025854 371922927 /nfs/dbraw/zinc/92/29/27/371922927.db2.gz PGCYBYMJOSNRFR-SJORKVTESA-N 2 1 292.471 3.131 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423045996 371931005 /nfs/dbraw/zinc/93/10/05/371931005.db2.gz DSGGUIWUWHSKLJ-HOTGVXAUSA-N 2 1 272.392 3.491 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423095874 371959884 /nfs/dbraw/zinc/95/98/84/371959884.db2.gz NIOIUYLXXWFKPD-ODVANORSSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423099338 371963074 /nfs/dbraw/zinc/96/30/74/371963074.db2.gz TWGXUDITRYYWIW-WBOJAVRRSA-N 2 1 276.399 3.192 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)[C@@H]1CCC[NH2+]1 ZINC000423105722 371971154 /nfs/dbraw/zinc/97/11/54/371971154.db2.gz IOVKWLKFHSWKHQ-WBVHZDCISA-N 2 1 271.408 3.097 20 0 CGADMP CSc1cccc(F)c1CN[C@H](C)c1cnccc1N ZINC000423110801 371973239 /nfs/dbraw/zinc/97/32/39/371973239.db2.gz VFKDCYHAVROUFV-SNVBAGLBSA-N 2 1 291.395 3.206 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423115500 371974295 /nfs/dbraw/zinc/97/42/95/371974295.db2.gz YBEPJDCHXCBBHE-LBPRGKRZSA-N 2 1 287.432 3.208 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000156562129 371984949 /nfs/dbraw/zinc/98/49/49/371984949.db2.gz QUKLLDKILKHNFS-NFAWXSAZSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000156562129 371984954 /nfs/dbraw/zinc/98/49/54/371984954.db2.gz QUKLLDKILKHNFS-NFAWXSAZSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000290592124 372025192 /nfs/dbraw/zinc/02/51/92/372025192.db2.gz VIJKQVZJFXQIOA-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158132848 372055517 /nfs/dbraw/zinc/05/55/17/372055517.db2.gz HZRHZMDVBMOADX-RDJZCZTQSA-N 2 1 288.435 3.140 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3)[C@H](C)[NH3+] ZINC000423454108 372065217 /nfs/dbraw/zinc/06/52/17/372065217.db2.gz YOFTZGSJKHYHDA-OGHNNQOOSA-N 2 1 288.435 3.104 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497864 372069794 /nfs/dbraw/zinc/06/97/94/372069794.db2.gz HMTIHFGBRJPUMI-DQYPLSBCSA-N 2 1 258.409 3.342 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000423503882 372069840 /nfs/dbraw/zinc/06/98/40/372069840.db2.gz NDJWBQYOBYFNGA-KURKYZTESA-N 2 1 272.436 3.430 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)CC[N@H+]1C ZINC000160365502 372241266 /nfs/dbraw/zinc/24/12/66/372241266.db2.gz HPTXCVDUBLVSOC-QWRGUYRKSA-N 2 1 272.845 3.016 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccs1 ZINC000344292729 217136275 /nfs/dbraw/zinc/13/62/75/217136275.db2.gz GHIAGVVHSFAZRU-CYBMUJFWSA-N 2 1 250.411 3.051 20 0 CGADMP CCc1ccc([C@H]2CC[N@@H+](CCn3ccnc3C)C2)cc1 ZINC000292954095 372259891 /nfs/dbraw/zinc/25/98/91/372259891.db2.gz ATPWRPDWACJNDB-SFHVURJKSA-N 2 1 283.419 3.243 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCc3ccccc3)C2)C1 ZINC000293012486 372279095 /nfs/dbraw/zinc/27/90/95/372279095.db2.gz PVPFXHXADIZQOH-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCc3ccccc3)C2)C1 ZINC000293012486 372279103 /nfs/dbraw/zinc/27/91/03/372279103.db2.gz PVPFXHXADIZQOH-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000293012486 372279109 /nfs/dbraw/zinc/27/91/09/372279109.db2.gz PVPFXHXADIZQOH-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[C@H](c1nc2ccccc2o1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293036725 372284415 /nfs/dbraw/zinc/28/44/15/372284415.db2.gz RYGAPFFDAOIQPW-KDOFPFPSSA-N 2 1 299.418 3.307 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535491 541872809 /nfs/dbraw/zinc/87/28/09/541872809.db2.gz QNMAUCALANQMAP-YYIAUSFCSA-N 2 1 266.473 3.379 20 0 CGADMP C[N@H+]1CCC[C@@H]1CCNC(C)(C)c1ccccc1F ZINC000429253882 372330065 /nfs/dbraw/zinc/33/00/65/372330065.db2.gz PEXPPYUODCOSKT-CYBMUJFWSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccccc1F ZINC000429253882 372330067 /nfs/dbraw/zinc/33/00/67/372330067.db2.gz PEXPPYUODCOSKT-CYBMUJFWSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccccc1F ZINC000429253882 372330069 /nfs/dbraw/zinc/33/00/69/372330069.db2.gz PEXPPYUODCOSKT-CYBMUJFWSA-N 2 1 264.388 3.135 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000161570802 372336287 /nfs/dbraw/zinc/33/62/87/372336287.db2.gz ZBECGFVHQHFKAW-XJKSGUPXSA-N 2 1 292.854 3.444 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161603324 372339822 /nfs/dbraw/zinc/33/98/22/372339822.db2.gz SMVYHLSRVCVCFQ-GFOCRRMGSA-N 2 1 270.420 3.136 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429510313 372374020 /nfs/dbraw/zinc/37/40/20/372374020.db2.gz IAQFLWJVOYVWFW-HZPDHXFCSA-N 2 1 296.499 3.434 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429510313 372374024 /nfs/dbraw/zinc/37/40/24/372374024.db2.gz IAQFLWJVOYVWFW-HZPDHXFCSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430601427 372392498 /nfs/dbraw/zinc/39/24/98/372392498.db2.gz UEEVABDVLBNZIW-CJNGLKHVSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430601427 372392503 /nfs/dbraw/zinc/39/25/03/372392503.db2.gz UEEVABDVLBNZIW-CJNGLKHVSA-N 2 1 299.418 3.209 20 0 CGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000430917113 372405227 /nfs/dbraw/zinc/40/52/27/372405227.db2.gz CFVIBYKRSZPKCN-GFCCVEGCSA-N 2 1 293.480 3.360 20 0 CGADMP CCC[N@@H+](CCc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000431093900 372427734 /nfs/dbraw/zinc/42/77/34/372427734.db2.gz OJKAJTBQHFPDPN-UHFFFAOYSA-N 2 1 260.425 3.002 20 0 CGADMP CCCC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162856987 372428825 /nfs/dbraw/zinc/42/88/25/372428825.db2.gz SMOHHQODRKQEIR-OAGGEKHMSA-N 2 1 270.461 3.044 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163214475 372453285 /nfs/dbraw/zinc/45/32/85/372453285.db2.gz WJKFOJDDSSXOSK-OSAQELSMSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(F)ccc1F ZINC000163239494 372454752 /nfs/dbraw/zinc/45/47/52/372454752.db2.gz YRKBKAOOAQOBMK-BLLLJJGKSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(F)ccc1F ZINC000163239494 372454756 /nfs/dbraw/zinc/45/47/56/372454756.db2.gz YRKBKAOOAQOBMK-BLLLJJGKSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000163233820 372455740 /nfs/dbraw/zinc/45/57/40/372455740.db2.gz JTVWMZZQXRSGSX-VXGBXAGGSA-N 2 1 260.406 3.070 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000163268223 372457574 /nfs/dbraw/zinc/45/75/74/372457574.db2.gz ZCNQAOHVFBAZTP-AEFFLSMTSA-N 2 1 292.442 3.324 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(F)cc1F ZINC000163269898 372458193 /nfs/dbraw/zinc/45/81/93/372458193.db2.gz LXVIULBDDWQUFN-LRDDRELGSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1F ZINC000163269898 372458198 /nfs/dbraw/zinc/45/81/98/372458198.db2.gz LXVIULBDDWQUFN-LRDDRELGSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163459415 372470795 /nfs/dbraw/zinc/47/07/95/372470795.db2.gz PLJLVXJMNZKTNV-AAEUAGOBSA-N 2 1 286.341 3.122 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164630370 372526843 /nfs/dbraw/zinc/52/68/43/372526843.db2.gz UNDWBHSYEWHWST-CQSZACIVSA-N 2 1 287.407 3.331 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000165339497 372549039 /nfs/dbraw/zinc/54/90/39/372549039.db2.gz IOVVUUKFZVYZIB-PKOBYXMFSA-N 2 1 286.463 3.329 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CC)CCC2)[C@@H](C)C1 ZINC000165315323 372549360 /nfs/dbraw/zinc/54/93/60/372549360.db2.gz UNMQDKYXLIWEHX-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432450888 372567230 /nfs/dbraw/zinc/56/72/30/372567230.db2.gz YPPCUVVNYWICQG-YESZJQIVSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432450888 372567234 /nfs/dbraw/zinc/56/72/34/372567234.db2.gz YPPCUVVNYWICQG-YESZJQIVSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000166335411 372572904 /nfs/dbraw/zinc/57/29/04/372572904.db2.gz CQZJSNHRYYNENS-QSJFSLAZSA-N 2 1 260.425 3.251 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000166335411 372572909 /nfs/dbraw/zinc/57/29/09/372572909.db2.gz CQZJSNHRYYNENS-QSJFSLAZSA-N 2 1 260.425 3.251 20 0 CGADMP CC[N@H+](Cc1cnc(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435378155 372753413 /nfs/dbraw/zinc/75/34/13/372753413.db2.gz CHNRKVYSVAMCRZ-ZDUSSCGKSA-N 2 1 295.496 3.405 20 0 CGADMP CC[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435378155 372753416 /nfs/dbraw/zinc/75/34/16/372753416.db2.gz CHNRKVYSVAMCRZ-ZDUSSCGKSA-N 2 1 295.496 3.405 20 0 CGADMP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2CN)cc1 ZINC000435373653 372753539 /nfs/dbraw/zinc/75/35/39/372753539.db2.gz NSWZFIGXEJBVDL-KRWDZBQOSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2CN)cc1 ZINC000435373653 372753541 /nfs/dbraw/zinc/75/35/41/372753541.db2.gz NSWZFIGXEJBVDL-KRWDZBQOSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000435373653 372753544 /nfs/dbraw/zinc/75/35/44/372753544.db2.gz NSWZFIGXEJBVDL-KRWDZBQOSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000435373653 372753545 /nfs/dbraw/zinc/75/35/45/372753545.db2.gz NSWZFIGXEJBVDL-KRWDZBQOSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cc2c1 ZINC000435368697 372753906 /nfs/dbraw/zinc/75/39/06/372753906.db2.gz BPGRVLCTYWQJNZ-QWHCGFSZSA-N 2 1 288.391 3.001 20 0 CGADMP CC[N@@H+](Cc1ccc(SC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435389557 372758527 /nfs/dbraw/zinc/75/85/27/372758527.db2.gz LNPNGCMROKKGIR-HNNXBMFYSA-N 2 1 278.465 3.373 20 0 CGADMP CC[N@@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435394856 372759026 /nfs/dbraw/zinc/75/90/26/372759026.db2.gz PGACKQHDSZPSMH-CQSZACIVSA-N 2 1 298.377 3.252 20 0 CGADMP CCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691360 372795640 /nfs/dbraw/zinc/79/56/40/372795640.db2.gz DMOLZCDEPBSLRA-CQSZACIVSA-N 2 1 264.438 3.102 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435622969 372787029 /nfs/dbraw/zinc/78/70/29/372787029.db2.gz GBOARUUZCLHATB-MRXNPFEDSA-N 2 1 276.424 3.048 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435622969 372787035 /nfs/dbraw/zinc/78/70/35/372787035.db2.gz GBOARUUZCLHATB-MRXNPFEDSA-N 2 1 276.424 3.048 20 0 CGADMP CC[N@@H+](Cc1ccccc1OC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435626736 372787540 /nfs/dbraw/zinc/78/75/40/372787540.db2.gz PEHXDQZXCMLREF-KRWDZBQOSA-N 2 1 290.451 3.438 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000435877396 372823501 /nfs/dbraw/zinc/82/35/01/372823501.db2.gz QJOCBDHZEQZYGQ-AWEZNQCLSA-N 2 1 252.789 3.086 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000435877396 372823510 /nfs/dbraw/zinc/82/35/10/372823510.db2.gz QJOCBDHZEQZYGQ-AWEZNQCLSA-N 2 1 252.789 3.086 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CSC[C@@H]1C ZINC000295514536 372812285 /nfs/dbraw/zinc/81/22/85/372812285.db2.gz VCJNDEGYTIYYQJ-YOEHRIQHSA-N 2 1 292.492 3.368 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595015 372841813 /nfs/dbraw/zinc/84/18/13/372841813.db2.gz CJRTZTCBMJWVCQ-CXAGYDPISA-N 2 1 294.389 3.096 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595015 372841830 /nfs/dbraw/zinc/84/18/30/372841830.db2.gz CJRTZTCBMJWVCQ-CXAGYDPISA-N 2 1 294.389 3.096 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595015 372841838 /nfs/dbraw/zinc/84/18/38/372841838.db2.gz CJRTZTCBMJWVCQ-CXAGYDPISA-N 2 1 294.389 3.096 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595015 372841849 /nfs/dbraw/zinc/84/18/49/372841849.db2.gz CJRTZTCBMJWVCQ-CXAGYDPISA-N 2 1 294.389 3.096 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@H]2CCC[C@@H]21 ZINC000353503362 220123398 /nfs/dbraw/zinc/12/33/98/220123398.db2.gz ORYDMYPUERHCNI-NEWSRXKRSA-N 2 1 295.430 3.197 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)s1 ZINC000172644558 373001112 /nfs/dbraw/zinc/00/11/12/373001112.db2.gz JWFZUBGAICZJAR-HNNXBMFYSA-N 2 1 278.465 3.283 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccsc1C ZINC000353522544 220134266 /nfs/dbraw/zinc/13/42/66/220134266.db2.gz RXPIQPNWUHCCHP-UHFFFAOYSA-N 2 1 266.454 3.364 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccsc1C ZINC000353522544 220134269 /nfs/dbraw/zinc/13/42/69/220134269.db2.gz RXPIQPNWUHCCHP-UHFFFAOYSA-N 2 1 266.454 3.364 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000344829230 217324822 /nfs/dbraw/zinc/32/48/22/217324822.db2.gz NKNSDSQJIDYUIH-HOCLYGCPSA-N 2 1 264.413 3.270 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc2cccnc12 ZINC000442916948 373128553 /nfs/dbraw/zinc/12/85/53/373128553.db2.gz BDGIATNXDONOPM-HNNXBMFYSA-N 2 1 283.419 3.104 20 0 CGADMP COc1ccc(C2([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000444607893 373212661 /nfs/dbraw/zinc/21/26/61/373212661.db2.gz JTOBWCZKPFQTJY-UHFFFAOYSA-N 2 1 288.435 3.150 20 0 CGADMP CC(C)(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173877703 373206375 /nfs/dbraw/zinc/20/63/75/373206375.db2.gz UIHXZZSOHQPNBK-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[N@H+]1C ZINC000297195821 373260880 /nfs/dbraw/zinc/26/08/80/373260880.db2.gz FRZMEGDAQSANGC-NDGTYSDOSA-N 2 1 294.389 3.415 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)c1ccccc1 ZINC000298466383 373335547 /nfs/dbraw/zinc/33/55/47/373335547.db2.gz OSPIDKYKPGDYOK-KRWDZBQOSA-N 2 1 285.435 3.309 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000300079913 373617779 /nfs/dbraw/zinc/61/77/79/373617779.db2.gz YPLBKEKKVCZBIT-HJWJTTGWSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000300079913 373617784 /nfs/dbraw/zinc/61/77/84/373617784.db2.gz YPLBKEKKVCZBIT-HJWJTTGWSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000300078709 373618620 /nfs/dbraw/zinc/61/86/20/373618620.db2.gz NBGFAEDRGYDVFD-TUUVXOQKSA-N 2 1 250.430 3.051 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)CC1 ZINC000449430383 373705947 /nfs/dbraw/zinc/70/59/47/373705947.db2.gz ZGMLZXXALHRHOX-RHSMWYFYSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000178420774 373776988 /nfs/dbraw/zinc/77/69/88/373776988.db2.gz NAJCBKDTQRPMIW-HNNXBMFYSA-N 2 1 260.425 3.287 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000178744615 373809270 /nfs/dbraw/zinc/80/92/70/373809270.db2.gz NLSKFDZERKZFOI-OJEWEXDKSA-N 2 1 263.429 3.242 20 0 CGADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Cl)Cc1ccccc1 ZINC000301519170 373783686 /nfs/dbraw/zinc/78/36/86/373783686.db2.gz HFYMEXIWRBNLRY-AWEZNQCLSA-N 2 1 289.810 3.320 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4o3)CC[C@@H]21 ZINC000178547284 373790715 /nfs/dbraw/zinc/79/07/15/373790715.db2.gz GXZNSLZIASPEAB-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4o3)CC[C@@H]21 ZINC000178547284 373790722 /nfs/dbraw/zinc/79/07/22/373790722.db2.gz GXZNSLZIASPEAB-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)CC[C@@H]21 ZINC000178547284 373790727 /nfs/dbraw/zinc/79/07/27/373790727.db2.gz GXZNSLZIASPEAB-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP Cc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000353667458 220241740 /nfs/dbraw/zinc/24/17/40/220241740.db2.gz TXNKCMKGOFFGQJ-MRXNPFEDSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000353667458 220241746 /nfs/dbraw/zinc/24/17/46/220241746.db2.gz TXNKCMKGOFFGQJ-MRXNPFEDSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000353667458 220241748 /nfs/dbraw/zinc/24/17/48/220241748.db2.gz TXNKCMKGOFFGQJ-MRXNPFEDSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000353667458 220241752 /nfs/dbraw/zinc/24/17/52/220241752.db2.gz TXNKCMKGOFFGQJ-MRXNPFEDSA-N 2 1 278.415 3.440 20 0 CGADMP FC1(F)CCCC[C@@H]1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450266474 374028265 /nfs/dbraw/zinc/02/82/65/374028265.db2.gz QZHZHFDWFINQAG-CQSZACIVSA-N 2 1 286.410 3.372 20 0 CGADMP C1=C(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCC1 ZINC000450430931 374123708 /nfs/dbraw/zinc/12/37/08/374123708.db2.gz WMMVNQBTWFNMBP-QGZVFWFLSA-N 2 1 262.441 3.295 20 0 CGADMP C[C@@]1(C[NH2+]Cc2ccncc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309805744 374197673 /nfs/dbraw/zinc/19/76/73/374197673.db2.gz LBIBEZVVGDQIPB-IBGZPJMESA-N 2 1 295.430 3.083 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043402 374208719 /nfs/dbraw/zinc/20/87/19/374208719.db2.gz OIRRCODOLCBIPR-WMZOPIPTSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043402 374208726 /nfs/dbraw/zinc/20/87/26/374208726.db2.gz OIRRCODOLCBIPR-WMZOPIPTSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043402 374208735 /nfs/dbraw/zinc/20/87/35/374208735.db2.gz OIRRCODOLCBIPR-WMZOPIPTSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000310916531 374229697 /nfs/dbraw/zinc/22/96/97/374229697.db2.gz ZFXBLSOWQRVTLF-WDEREUQCSA-N 2 1 272.795 3.327 20 0 CGADMP CC(C)CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000311354229 374239534 /nfs/dbraw/zinc/23/95/34/374239534.db2.gz ACNXYTVMUJUJIS-RHSMWYFYSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000328298891 374362480 /nfs/dbraw/zinc/36/24/80/374362480.db2.gz UCXIHZFTEQIQEO-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183101171 374371172 /nfs/dbraw/zinc/37/11/72/374371172.db2.gz ZEXQZYXYBFOJCO-GJZGRUSLSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101171 374371178 /nfs/dbraw/zinc/37/11/78/374371178.db2.gz ZEXQZYXYBFOJCO-GJZGRUSLSA-N 2 1 276.424 3.331 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCCCCC2)CC[N@H+]1C ZINC000183329349 374401943 /nfs/dbraw/zinc/40/19/43/374401943.db2.gz KBFRYALWDGKMSP-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCCCCC2)CC[N@H+]1C ZINC000183329369 374402117 /nfs/dbraw/zinc/40/21/17/374402117.db2.gz KBFRYALWDGKMSP-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCC2)[C@@H]2CCC[C@@H]21 ZINC000453310505 374410336 /nfs/dbraw/zinc/41/03/36/374410336.db2.gz RJNGAGYSPKKCGX-JYJNAYRXSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000453395989 374473078 /nfs/dbraw/zinc/47/30/78/374473078.db2.gz IKLTXQDBPSZARH-HOTGVXAUSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000453387865 374473227 /nfs/dbraw/zinc/47/32/27/374473227.db2.gz BNFDDJXFYILKKW-AWEZNQCLSA-N 2 1 293.480 3.293 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(CC)C(C)C)[C@@H](C)C1 ZINC000453469126 374476042 /nfs/dbraw/zinc/47/60/42/374476042.db2.gz ZQPSKLWTPRILPU-CAOSSQGBSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](CC[NH2+][C@H](C)c1ccoc1)[NH+]1CCCCC1 ZINC000184500098 374531731 /nfs/dbraw/zinc/53/17/31/374531731.db2.gz JSRDAIJLZRBKTE-ZIAGYGMSSA-N 2 1 250.386 3.195 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000092471676 541976030 /nfs/dbraw/zinc/97/60/30/541976030.db2.gz SQRPYPUIEXEHBC-MRXNPFEDSA-N 2 1 288.435 3.003 20 0 CGADMP c1ccc(CCC[C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000186859678 374928943 /nfs/dbraw/zinc/92/89/43/374928943.db2.gz PWBLMWFWQFGJAY-IBGZPJMESA-N 2 1 286.463 3.473 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)CCN1C ZINC000334704931 374989623 /nfs/dbraw/zinc/98/96/23/374989623.db2.gz CVHJHGWBJYPNPF-GXTWGEPZSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC000334704931 374989628 /nfs/dbraw/zinc/98/96/28/374989628.db2.gz CVHJHGWBJYPNPF-GXTWGEPZSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC000334704931 374989633 /nfs/dbraw/zinc/98/96/33/374989633.db2.gz CVHJHGWBJYPNPF-GXTWGEPZSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CC2CCC(F)(F)CC2)CC[NH+]1C ZINC000334704931 374989640 /nfs/dbraw/zinc/98/96/40/374989640.db2.gz CVHJHGWBJYPNPF-GXTWGEPZSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)CC[NH+]1C ZINC000334704931 374989644 /nfs/dbraw/zinc/98/96/44/374989644.db2.gz CVHJHGWBJYPNPF-GXTWGEPZSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131670752 296226796 /nfs/dbraw/zinc/22/67/96/296226796.db2.gz UHXRLOGLVKCSQJ-WOPDTQHZSA-N 2 1 286.341 3.436 20 0 CGADMP C[C@@H](C[NH2+]CC1([NH+](C)C)CCCC1)Cc1ccccc1 ZINC000482206942 375168930 /nfs/dbraw/zinc/16/89/30/375168930.db2.gz JPVQGLIHGGJGHZ-MRXNPFEDSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1cc(N2CCC([NH2+]CCC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000188271114 375188556 /nfs/dbraw/zinc/18/85/56/375188556.db2.gz VXCDILUZSSVJOY-UHFFFAOYSA-N 2 1 290.455 3.088 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3[nH]ccc32)CC1 ZINC000335370483 375267553 /nfs/dbraw/zinc/26/75/53/375267553.db2.gz KFWWKRLODWOFLL-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000189508558 375400737 /nfs/dbraw/zinc/40/07/37/375400737.db2.gz DSCRCIOWBFTGGP-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000189508558 375400742 /nfs/dbraw/zinc/40/07/42/375400742.db2.gz DSCRCIOWBFTGGP-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000189508558 375400750 /nfs/dbraw/zinc/40/07/50/375400750.db2.gz DSCRCIOWBFTGGP-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000335842055 375476311 /nfs/dbraw/zinc/47/63/11/375476311.db2.gz RWZCOSWAAKDKPZ-WCQYABFASA-N 2 1 260.406 3.070 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000494923180 375495866 /nfs/dbraw/zinc/49/58/66/375495866.db2.gz LGIVZIHMIGFVNQ-APIJFGDWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000494923180 375495874 /nfs/dbraw/zinc/49/58/74/375495874.db2.gz LGIVZIHMIGFVNQ-APIJFGDWSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335991547 375598262 /nfs/dbraw/zinc/59/82/62/375598262.db2.gz GIUOEJGEOODIFQ-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335991547 375598266 /nfs/dbraw/zinc/59/82/66/375598266.db2.gz GIUOEJGEOODIFQ-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335991547 375598268 /nfs/dbraw/zinc/59/82/68/375598268.db2.gz GIUOEJGEOODIFQ-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335991547 375598271 /nfs/dbraw/zinc/59/82/71/375598271.db2.gz GIUOEJGEOODIFQ-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H](C)C1 ZINC000335959608 375572456 /nfs/dbraw/zinc/57/24/56/375572456.db2.gz HJOFTBAXUFCHLZ-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000502868552 375647827 /nfs/dbraw/zinc/64/78/27/375647827.db2.gz UAGZMRBMSDRIQV-NZSAHSFTSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502868552 375647833 /nfs/dbraw/zinc/64/78/33/375647833.db2.gz UAGZMRBMSDRIQV-NZSAHSFTSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000502868552 375647834 /nfs/dbraw/zinc/64/78/34/375647834.db2.gz UAGZMRBMSDRIQV-NZSAHSFTSA-N 2 1 286.463 3.424 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000336145080 375723943 /nfs/dbraw/zinc/72/39/43/375723943.db2.gz POTJDGICMGESFT-OAHLLOKOSA-N 2 1 292.423 3.214 20 0 CGADMP Cc1c[nH+]ccc1NCCCC[N@@H+]1CCCC[C@H]1C ZINC000192499911 375757605 /nfs/dbraw/zinc/75/76/05/375757605.db2.gz DVDMFJVJACPEHN-OAHLLOKOSA-N 2 1 261.413 3.457 20 0 CGADMP Cc1c[nH+]ccc1NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000192586026 375767362 /nfs/dbraw/zinc/76/73/62/375767362.db2.gz WLTJYUKDMSXHCK-HNNXBMFYSA-N 2 1 269.392 3.322 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000128552541 542052459 /nfs/dbraw/zinc/05/24/59/542052459.db2.gz TYUQTRBLMKFQPB-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000336521371 375802731 /nfs/dbraw/zinc/80/27/31/375802731.db2.gz FCHWZBAQXRJDLP-UHFFFAOYSA-N 2 1 293.480 3.016 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000192922794 375803711 /nfs/dbraw/zinc/80/37/11/375803711.db2.gz PTOFNQWAPOAKSM-SJLPKXTDSA-N 2 1 295.430 3.254 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000192922794 375803720 /nfs/dbraw/zinc/80/37/20/375803720.db2.gz PTOFNQWAPOAKSM-SJLPKXTDSA-N 2 1 295.430 3.254 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933158 375804438 /nfs/dbraw/zinc/80/44/38/375804438.db2.gz VSQBGNPIYRXOAW-YJBOKZPZSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)C[NH+](C)Cc1cncc(C[N@H+](C)CC(C)C)c1 ZINC000515036677 375809879 /nfs/dbraw/zinc/80/98/79/375809879.db2.gz UKARZVJMIQZABG-UHFFFAOYSA-N 2 1 277.456 3.257 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130210013 542062476 /nfs/dbraw/zinc/06/24/76/542062476.db2.gz WKIXFBTWXUUJKQ-HRCADAONSA-N 2 1 288.435 3.281 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130210013 542062480 /nfs/dbraw/zinc/06/24/80/542062480.db2.gz WKIXFBTWXUUJKQ-HRCADAONSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336604409 375866530 /nfs/dbraw/zinc/86/65/30/375866530.db2.gz YHHAUAFUQPUNMP-GFCCVEGCSA-N 2 1 280.362 3.101 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C2CCCC2)CC1 ZINC000131195593 542068535 /nfs/dbraw/zinc/06/85/35/542068535.db2.gz BSBPYXNQZPGZSV-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP FCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000336832701 375994369 /nfs/dbraw/zinc/99/43/69/375994369.db2.gz MTNFJFQYBHBDOY-UHFFFAOYSA-N 2 1 278.415 3.033 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000336850221 376010763 /nfs/dbraw/zinc/01/07/63/376010763.db2.gz WLLVNLROVXPRAE-AWEZNQCLSA-N 2 1 283.419 3.421 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000536850192 376137404 /nfs/dbraw/zinc/13/74/04/376137404.db2.gz DXNDBPUSSRBZDJ-CZUORRHYSA-N 2 1 292.854 3.301 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000216012284 376156925 /nfs/dbraw/zinc/15/69/25/376156925.db2.gz QFYJCFHAADKIMS-GRYCIOLGSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000216012284 376156934 /nfs/dbraw/zinc/15/69/34/376156934.db2.gz QFYJCFHAADKIMS-GRYCIOLGSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337375593 376215379 /nfs/dbraw/zinc/21/53/79/376215379.db2.gz ADUFQTPDTOEGLM-OWCLPIDISA-N 2 1 264.457 3.277 20 0 CGADMP COc1ccc([C@H](C)NCCC[N@@H+](C)C(C)C)cc1F ZINC000221913893 376224094 /nfs/dbraw/zinc/22/40/94/376224094.db2.gz VYOQWUPHEVRYEP-ZDUSSCGKSA-N 2 1 282.403 3.215 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1F ZINC000221913893 376224098 /nfs/dbraw/zinc/22/40/98/376224098.db2.gz VYOQWUPHEVRYEP-ZDUSSCGKSA-N 2 1 282.403 3.215 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1F ZINC000221913893 376224104 /nfs/dbraw/zinc/22/41/04/376224104.db2.gz VYOQWUPHEVRYEP-ZDUSSCGKSA-N 2 1 282.403 3.215 20 0 CGADMP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000222067544 376227239 /nfs/dbraw/zinc/22/72/39/376227239.db2.gz LNVYXWBKTQJOSP-KRWDZBQOSA-N 2 1 290.451 3.227 20 0 CGADMP CCC[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000538304445 376231658 /nfs/dbraw/zinc/23/16/58/376231658.db2.gz HSKTUQVKQCPMHN-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[NH+]1CCCC1 ZINC000337992921 376251961 /nfs/dbraw/zinc/25/19/61/376251961.db2.gz FPWIMFSFJJUOJC-PMPSAXMXSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CCCC1 ZINC000337998132 376252328 /nfs/dbraw/zinc/25/23/28/376252328.db2.gz QPKODAHJMFWBON-HZPDHXFCSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CCCC1 ZINC000337998132 376252331 /nfs/dbraw/zinc/25/23/31/376252331.db2.gz QPKODAHJMFWBON-HZPDHXFCSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000223753311 376262564 /nfs/dbraw/zinc/26/25/64/376262564.db2.gz ATWCRRQSGUZFCC-OBJOEFQTSA-N 2 1 266.454 3.060 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000223753311 376262571 /nfs/dbraw/zinc/26/25/71/376262571.db2.gz ATWCRRQSGUZFCC-OBJOEFQTSA-N 2 1 266.454 3.060 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000539090609 376293912 /nfs/dbraw/zinc/29/39/12/376293912.db2.gz HBYRTFVHLPHQMG-IAGOWNOFSA-N 2 1 290.451 3.002 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)C[C@@H]1CCC[NH2+]C1 ZINC000226435425 376359594 /nfs/dbraw/zinc/35/95/94/376359594.db2.gz XZDRBVCOSQTLJF-OAHLLOKOSA-N 2 1 268.404 3.271 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c2ccccc12 ZINC000227581544 376399362 /nfs/dbraw/zinc/39/93/62/376399362.db2.gz QBXFPKHERLDTBX-SUMWQHHRSA-N 2 1 284.403 3.018 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]21 ZINC000230046294 376482339 /nfs/dbraw/zinc/48/23/39/376482339.db2.gz OZNHYWCKTFIVNW-NZSAHSFTSA-N 2 1 280.415 3.399 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]21 ZINC000228472698 376436614 /nfs/dbraw/zinc/43/66/14/376436614.db2.gz OZNHYWCKTFIVNW-QXAKKESOSA-N 2 1 280.415 3.399 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC000228537649 376440506 /nfs/dbraw/zinc/44/05/06/376440506.db2.gz CSKXICPJRLZXAN-YWPYICTPSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC000228537649 376440514 /nfs/dbraw/zinc/44/05/14/376440514.db2.gz CSKXICPJRLZXAN-YWPYICTPSA-N 2 1 282.790 3.038 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231463598 376560838 /nfs/dbraw/zinc/56/08/38/376560838.db2.gz UIGAMRPGLPWNRR-LBPRGKRZSA-N 2 1 270.779 3.053 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000231746179 376568626 /nfs/dbraw/zinc/56/86/26/376568626.db2.gz OBQQMWAJOXYYNZ-HOTGVXAUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000231746179 376568632 /nfs/dbraw/zinc/56/86/32/376568632.db2.gz OBQQMWAJOXYYNZ-HOTGVXAUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231746227 376569014 /nfs/dbraw/zinc/56/90/14/376569014.db2.gz UENNZTAFRPPONI-JKSUJKDBSA-N 2 1 278.827 3.365 20 0 CGADMP c1ccc2c(c1)CC[C@H](C[N@@H+]1CCC[C@@H]1CN1CCCC1)C2 ZINC000542914274 376590850 /nfs/dbraw/zinc/59/08/50/376590850.db2.gz DPXAUZJVLFGCHF-FXAWDEMLSA-N 2 1 298.474 3.352 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000235878463 376652747 /nfs/dbraw/zinc/65/27/47/376652747.db2.gz YEYABCMLYMTECP-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP CC[C@H]1C[C@@H](C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CCO1 ZINC000543744432 376673812 /nfs/dbraw/zinc/67/38/12/376673812.db2.gz ICUIEXXYFAHUCT-ROUUACIJSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435900 376755029 /nfs/dbraw/zinc/75/50/29/376755029.db2.gz GKBFOROOKTULAH-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339435900 376755037 /nfs/dbraw/zinc/75/50/37/376755037.db2.gz GKBFOROOKTULAH-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339435900 376755047 /nfs/dbraw/zinc/75/50/47/376755047.db2.gz GKBFOROOKTULAH-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cccc3cc[nH+]cc32)CC[N@@H+]1C ZINC000156156369 542126397 /nfs/dbraw/zinc/12/63/97/542126397.db2.gz PUJVZZCSOUNJJU-OCCSQVGLSA-N 2 1 255.365 3.129 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cccc3cc[nH+]cc32)CC[N@H+]1C ZINC000156156369 542126402 /nfs/dbraw/zinc/12/64/02/542126402.db2.gz PUJVZZCSOUNJJU-OCCSQVGLSA-N 2 1 255.365 3.129 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1[NH3+] ZINC000156104601 542126612 /nfs/dbraw/zinc/12/66/12/542126612.db2.gz VPFSRPNKKNLYHB-OCCSQVGLSA-N 2 1 268.351 3.183 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1[NH3+] ZINC000156104601 542126615 /nfs/dbraw/zinc/12/66/15/542126615.db2.gz VPFSRPNKKNLYHB-OCCSQVGLSA-N 2 1 268.351 3.183 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000245414115 376810872 /nfs/dbraw/zinc/81/08/72/376810872.db2.gz CBWJGVCQKJDKEK-CVEARBPZSA-N 2 1 260.425 3.411 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000245414115 376810878 /nfs/dbraw/zinc/81/08/78/376810878.db2.gz CBWJGVCQKJDKEK-CVEARBPZSA-N 2 1 260.425 3.411 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000245471738 376827247 /nfs/dbraw/zinc/82/72/47/376827247.db2.gz YBTCOUPMYHLYDJ-IXDOHACOSA-N 2 1 290.451 3.227 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000556869935 376893822 /nfs/dbraw/zinc/89/38/22/376893822.db2.gz CBXZRHWEXPWIFL-GUDVDZBRSA-N 2 1 286.463 3.308 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000557083943 376921490 /nfs/dbraw/zinc/92/14/90/376921490.db2.gz KBCZGWFBZVASEO-QGZVFWFLSA-N 2 1 298.515 3.491 20 0 CGADMP CC(C)C[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000557084982 376921858 /nfs/dbraw/zinc/92/18/58/376921858.db2.gz UFYZOMZNLTWGPN-ZOBUZTSGSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000557084982 376921862 /nfs/dbraw/zinc/92/18/62/376921862.db2.gz UFYZOMZNLTWGPN-ZOBUZTSGSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000557084982 376921865 /nfs/dbraw/zinc/92/18/65/376921865.db2.gz UFYZOMZNLTWGPN-ZOBUZTSGSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000557084982 376921868 /nfs/dbraw/zinc/92/18/68/376921868.db2.gz UFYZOMZNLTWGPN-ZOBUZTSGSA-N 2 1 264.457 3.370 20 0 CGADMP COC(C)(C)[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000340186551 376940385 /nfs/dbraw/zinc/94/03/85/376940385.db2.gz SGRASFZPCKBQHY-LSDHHAIUSA-N 2 1 270.461 3.044 20 0 CGADMP COC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000340197185 376947144 /nfs/dbraw/zinc/94/71/44/376947144.db2.gz SDDVDNYCVFINQO-HNNXBMFYSA-N 2 1 292.467 3.430 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CCO1 ZINC000246061203 376957753 /nfs/dbraw/zinc/95/77/53/376957753.db2.gz ZCJWRQOVSRZCSR-RANZSIQMSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1ccncc1CCC[N@H+](C)CCc1ccccc1 ZINC000558401927 377001211 /nfs/dbraw/zinc/00/12/11/377001211.db2.gz WOHGXWBLESWRBY-UHFFFAOYSA-N 2 1 268.404 3.497 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000246892503 377112747 /nfs/dbraw/zinc/11/27/47/377112747.db2.gz DTTGLJQGDCKNJK-QAPCUYQASA-N 2 1 290.451 3.041 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000246923206 377119305 /nfs/dbraw/zinc/11/93/05/377119305.db2.gz GUNPGFLWVNWQJX-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000246923229 377119527 /nfs/dbraw/zinc/11/95/27/377119527.db2.gz GUNPGFLWVNWQJX-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246706079 377074487 /nfs/dbraw/zinc/07/44/87/377074487.db2.gz KYOHKCJEGPJRKU-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246706079 377074497 /nfs/dbraw/zinc/07/44/97/377074497.db2.gz KYOHKCJEGPJRKU-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246706079 377074506 /nfs/dbraw/zinc/07/45/06/377074506.db2.gz KYOHKCJEGPJRKU-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246706079 377074518 /nfs/dbraw/zinc/07/45/18/377074518.db2.gz KYOHKCJEGPJRKU-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246706079 377074525 /nfs/dbraw/zinc/07/45/25/377074525.db2.gz KYOHKCJEGPJRKU-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246813656 377094077 /nfs/dbraw/zinc/09/40/77/377094077.db2.gz AVGQUIMHPIPWQE-JONQDZQNSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)C[C@H]1c1ccccc1 ZINC000559804420 377101133 /nfs/dbraw/zinc/10/11/33/377101133.db2.gz MMWGZYXSPCWOIW-SJORKVTESA-N 2 1 290.451 3.227 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)C[C@H]1c1ccccc1 ZINC000559804420 377101134 /nfs/dbraw/zinc/10/11/34/377101134.db2.gz MMWGZYXSPCWOIW-SJORKVTESA-N 2 1 290.451 3.227 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000560244704 377132352 /nfs/dbraw/zinc/13/23/52/377132352.db2.gz DJQNPMUWKVZXRS-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccccc2OC)C1 ZINC000247053185 377149924 /nfs/dbraw/zinc/14/99/24/377149924.db2.gz NJNBUCJNKRKXGR-NVXWUHKLSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000247058714 377150198 /nfs/dbraw/zinc/15/01/98/377150198.db2.gz PKGQADNFTSVXSR-LBTNJELSSA-N 2 1 283.419 3.351 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000247053908 377150781 /nfs/dbraw/zinc/15/07/81/377150781.db2.gz NLAXUNCPYCWPAB-JFIYKMOQSA-N 2 1 274.452 3.164 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247067350 377153094 /nfs/dbraw/zinc/15/30/94/377153094.db2.gz OCUUHTXLQMWBNC-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP CC1=CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000560491267 377156769 /nfs/dbraw/zinc/15/67/69/377156769.db2.gz JGETWTWYMQALQW-KRWDZBQOSA-N 2 1 292.467 3.110 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000247093680 377157726 /nfs/dbraw/zinc/15/77/26/377157726.db2.gz OFPVVFGNZOANTP-JOCBIADPSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000247092377 377158566 /nfs/dbraw/zinc/15/85/66/377158566.db2.gz RSDNGLOXWKNXRT-INMHGKMJSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000247092377 377158571 /nfs/dbraw/zinc/15/85/71/377158571.db2.gz RSDNGLOXWKNXRT-INMHGKMJSA-N 2 1 274.452 3.425 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(F)cc2F)[C@H](C)C1 ZINC000247152989 377167518 /nfs/dbraw/zinc/16/75/18/377167518.db2.gz RPNQZCIZWISPEX-AHIWAGSCSA-N 2 1 296.405 3.388 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000247207638 377177769 /nfs/dbraw/zinc/17/77/69/377177769.db2.gz WSVWWARSUADMEW-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000248029129 377257843 /nfs/dbraw/zinc/25/78/43/377257843.db2.gz PZTXMZXJIWLLOJ-BFYDXBDKSA-N 2 1 292.492 3.405 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248036882 377261253 /nfs/dbraw/zinc/26/12/53/377261253.db2.gz RWRZWTWJDAYTSY-XJKSGUPXSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000248066313 377264485 /nfs/dbraw/zinc/26/44/85/377264485.db2.gz ZMTAQWDAJXOMGI-UNEWFSDZSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000248066313 377264493 /nfs/dbraw/zinc/26/44/93/377264493.db2.gz ZMTAQWDAJXOMGI-UNEWFSDZSA-N 2 1 258.409 3.136 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000248411474 377313588 /nfs/dbraw/zinc/31/35/88/377313588.db2.gz ZHOJMPPBVXDSDN-HLPPOEQASA-N 2 1 263.429 3.242 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000562517698 377321020 /nfs/dbraw/zinc/32/10/20/377321020.db2.gz PIIMYVYEJNTSMG-KLHKWILBSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC[C@H]2C)C1 ZINC000248487814 377329815 /nfs/dbraw/zinc/32/98/15/377329815.db2.gz MBGYFBRIBQTETA-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000248487814 377329819 /nfs/dbraw/zinc/32/98/19/377329819.db2.gz MBGYFBRIBQTETA-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000248487814 377329826 /nfs/dbraw/zinc/32/98/26/377329826.db2.gz MBGYFBRIBQTETA-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367406 377294774 /nfs/dbraw/zinc/29/47/74/377294774.db2.gz UAKWVYMINKGFBZ-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367406 377294777 /nfs/dbraw/zinc/29/47/77/377294777.db2.gz UAKWVYMINKGFBZ-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367406 377294780 /nfs/dbraw/zinc/29/47/80/377294780.db2.gz UAKWVYMINKGFBZ-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367406 377294783 /nfs/dbraw/zinc/29/47/83/377294783.db2.gz UAKWVYMINKGFBZ-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CCS[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248757206 377396737 /nfs/dbraw/zinc/39/67/37/377396737.db2.gz CTEJOIATMMYQOM-MOTUXRJWSA-N 2 1 282.497 3.266 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000248882802 377420590 /nfs/dbraw/zinc/42/05/90/377420590.db2.gz RUVYYEIOXUDINA-YESZJQIVSA-N 2 1 296.499 3.289 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249416175 377501824 /nfs/dbraw/zinc/50/18/24/377501824.db2.gz ZGAGXDUJQZFSBO-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249416175 377501832 /nfs/dbraw/zinc/50/18/32/377501832.db2.gz ZGAGXDUJQZFSBO-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249416175 377501843 /nfs/dbraw/zinc/50/18/43/377501843.db2.gz ZGAGXDUJQZFSBO-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000563443559 377468440 /nfs/dbraw/zinc/46/84/40/377468440.db2.gz URRJPVVGXBKFDO-HZPDHXFCSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000249485839 377507404 /nfs/dbraw/zinc/50/74/04/377507404.db2.gz YBJFFHDGCPRIIO-SOLBZPMBSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249485839 377507414 /nfs/dbraw/zinc/50/74/14/377507414.db2.gz YBJFFHDGCPRIIO-SOLBZPMBSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249485839 377507422 /nfs/dbraw/zinc/50/74/22/377507422.db2.gz YBJFFHDGCPRIIO-SOLBZPMBSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249485839 377507425 /nfs/dbraw/zinc/50/74/25/377507425.db2.gz YBJFFHDGCPRIIO-SOLBZPMBSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249485839 377507433 /nfs/dbraw/zinc/50/74/33/377507433.db2.gz YBJFFHDGCPRIIO-SOLBZPMBSA-N 2 1 274.452 3.280 20 0 CGADMP CCOCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166846996 542174433 /nfs/dbraw/zinc/17/44/33/542174433.db2.gz XWNTXYBIFSTMOD-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000250076350 377548900 /nfs/dbraw/zinc/54/89/00/377548900.db2.gz OQFDEPQEOYNRNF-CABCVRRESA-N 2 1 284.513 3.228 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(OC(F)F)cc1C ZINC000469856589 249160131 /nfs/dbraw/zinc/16/01/31/249160131.db2.gz OOMJHCKYGYHVIF-OLZOCXBDSA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(OC(F)F)cc1C ZINC000469856589 249160134 /nfs/dbraw/zinc/16/01/34/249160134.db2.gz OOMJHCKYGYHVIF-OLZOCXBDSA-N 2 1 298.377 3.074 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000469862268 249160324 /nfs/dbraw/zinc/16/03/24/249160324.db2.gz MXGZYZNWYHAZHY-GJZGRUSLSA-N 2 1 276.424 3.035 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000469990964 249164195 /nfs/dbraw/zinc/16/41/95/249164195.db2.gz IBDZDUZPAZRRMT-OAHLLOKOSA-N 2 1 286.419 3.481 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000469990964 249164198 /nfs/dbraw/zinc/16/41/98/249164198.db2.gz IBDZDUZPAZRRMT-OAHLLOKOSA-N 2 1 286.419 3.481 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428045533 249131244 /nfs/dbraw/zinc/13/12/44/249131244.db2.gz QIHOLACNYMEFBI-QUCCMNQESA-N 2 1 294.442 3.456 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C12CCC2 ZINC000250481647 377560481 /nfs/dbraw/zinc/56/04/81/377560481.db2.gz GBRDHHJHVDAECX-IXDOHACOSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1(C)C ZINC000250570225 377563435 /nfs/dbraw/zinc/56/34/35/377563435.db2.gz PAUKPINFSHBGQR-VVLHAWIVSA-N 2 1 294.483 3.043 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1(C)C ZINC000250570225 377563451 /nfs/dbraw/zinc/56/34/51/377563451.db2.gz PAUKPINFSHBGQR-VVLHAWIVSA-N 2 1 294.483 3.043 20 0 CGADMP Cc1cccc(C[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C2CC2)c1 ZINC000481296877 249170056 /nfs/dbraw/zinc/17/00/56/249170056.db2.gz UXJFXZJOLTUGID-OALUTQOASA-N 2 1 286.463 3.246 20 0 CGADMP c1cc(C2CC2)cc(NC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000515096963 249201301 /nfs/dbraw/zinc/20/13/01/249201301.db2.gz BQFCQUXPEGMJGT-UHFFFAOYSA-N 2 1 271.408 3.245 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000251368919 377580296 /nfs/dbraw/zinc/58/02/96/377580296.db2.gz WTBCOBJSXGNVOH-IUODEOHRSA-N 2 1 252.377 3.192 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000251165606 377576472 /nfs/dbraw/zinc/57/64/72/377576472.db2.gz URZCFNHZAIHCJW-IMJJTQAJSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)s1 ZINC000516348352 249231712 /nfs/dbraw/zinc/23/17/12/249231712.db2.gz TXIORSDWZFHONF-GOEBONIOSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)s1 ZINC000516348352 249231713 /nfs/dbraw/zinc/23/17/13/249231713.db2.gz TXIORSDWZFHONF-GOEBONIOSA-N 2 1 278.465 3.281 20 0 CGADMP C[NH+](C)C1CCC(Nc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000518524838 249282661 /nfs/dbraw/zinc/28/26/61/249282661.db2.gz QVBAAMHKWPXFER-UHFFFAOYSA-N 2 1 287.382 3.081 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000573950955 377597374 /nfs/dbraw/zinc/59/73/74/377597374.db2.gz FBNLXNURXGCIIP-RTBURBONSA-N 2 1 295.430 3.498 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000573950952 377597996 /nfs/dbraw/zinc/59/79/96/377597996.db2.gz FBNLXNURXGCIIP-MOPGFXCFSA-N 2 1 295.430 3.498 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000251887938 377602801 /nfs/dbraw/zinc/60/28/01/377602801.db2.gz VTMBQLMVMYPQIE-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000251887938 377602807 /nfs/dbraw/zinc/60/28/07/377602807.db2.gz VTMBQLMVMYPQIE-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1Cc2ccccc2C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000342353707 377643416 /nfs/dbraw/zinc/64/34/16/377643416.db2.gz DZCVCIXIEVWOCL-ROUUACIJSA-N 2 1 272.436 3.308 20 0 CGADMP CC[C@H]1Cc2ccccc2C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000342353707 377643429 /nfs/dbraw/zinc/64/34/29/377643429.db2.gz DZCVCIXIEVWOCL-ROUUACIJSA-N 2 1 272.436 3.308 20 0 CGADMP CC[C@H]1Cc2ccccc2C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000342353707 377643441 /nfs/dbraw/zinc/64/34/41/377643441.db2.gz DZCVCIXIEVWOCL-ROUUACIJSA-N 2 1 272.436 3.308 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252714892 377655691 /nfs/dbraw/zinc/65/56/91/377655691.db2.gz TZNQIYKWYSNHFS-UUAJXVIYSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252714892 377655694 /nfs/dbraw/zinc/65/56/94/377655694.db2.gz TZNQIYKWYSNHFS-UUAJXVIYSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000252839971 377667268 /nfs/dbraw/zinc/66/72/68/377667268.db2.gz BGZSUAKNFWUDKM-UBDQQSCGSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC1(C)C ZINC000342623619 377694184 /nfs/dbraw/zinc/69/41/84/377694184.db2.gz HNZOVKLRUBDFNM-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1C ZINC000574678776 377695072 /nfs/dbraw/zinc/69/50/72/377695072.db2.gz XEZCVHNQBAOAEQ-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1C ZINC000574678776 377695074 /nfs/dbraw/zinc/69/50/74/377695074.db2.gz XEZCVHNQBAOAEQ-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1C ZINC000574678776 377695081 /nfs/dbraw/zinc/69/50/81/377695081.db2.gz XEZCVHNQBAOAEQ-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253197606 377679981 /nfs/dbraw/zinc/67/99/81/377679981.db2.gz UZDUXDFPOXITLT-DGCLKSJQSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253197606 377679986 /nfs/dbraw/zinc/67/99/86/377679986.db2.gz UZDUXDFPOXITLT-DGCLKSJQSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000574812433 377713019 /nfs/dbraw/zinc/71/30/19/377713019.db2.gz DIALULPUDPJBOD-FUHWJXTLSA-N 2 1 272.436 3.256 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574998025 377737411 /nfs/dbraw/zinc/73/74/11/377737411.db2.gz WTWFEQXJFAGYBI-YYIAUSFCSA-N 2 1 282.472 3.187 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574998025 377737419 /nfs/dbraw/zinc/73/74/19/377737419.db2.gz WTWFEQXJFAGYBI-YYIAUSFCSA-N 2 1 282.472 3.187 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(Cl)ccc1F ZINC000260134293 377806171 /nfs/dbraw/zinc/80/61/71/377806171.db2.gz QCPLRMWSPBJOTL-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000342817065 377815122 /nfs/dbraw/zinc/81/51/22/377815122.db2.gz ZYFCYPZDXVXPHF-DOMZBBRYSA-N 2 1 296.842 3.169 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000261590965 377822712 /nfs/dbraw/zinc/82/27/12/377822712.db2.gz UXRWTLQJTUKKNO-VGMNWLOBSA-N 2 1 261.196 3.380 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000261582957 377822801 /nfs/dbraw/zinc/82/28/01/377822801.db2.gz GZKQMDTWCNJHLL-QGZVFWFLSA-N 2 1 254.377 3.011 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000261595831 377823175 /nfs/dbraw/zinc/82/31/75/377823175.db2.gz OLDKNWIQZKYICF-CYBMUJFWSA-N 2 1 274.330 3.168 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261653707 377833293 /nfs/dbraw/zinc/83/32/93/377833293.db2.gz YLZGYHPCYVEACY-CWRNSKLLSA-N 2 1 278.827 3.475 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261653707 377833300 /nfs/dbraw/zinc/83/33/00/377833300.db2.gz YLZGYHPCYVEACY-CWRNSKLLSA-N 2 1 278.827 3.475 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261660155 377836871 /nfs/dbraw/zinc/83/68/71/377836871.db2.gz DWIYKBBYPUZICZ-KSZLIROESA-N 2 1 272.436 3.054 20 0 CGADMP CC(C)([NH3+])C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000261937939 377869461 /nfs/dbraw/zinc/86/94/61/377869461.db2.gz MHHSAPZZXKWJGW-UHFFFAOYSA-N 2 1 266.816 3.257 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C(C)C)s1 ZINC000261977849 377873771 /nfs/dbraw/zinc/87/37/71/377873771.db2.gz IXGCEJJNCRJDBS-HNNXBMFYSA-N 2 1 266.454 3.267 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1cccc(Cl)c1 ZINC000262016341 377879958 /nfs/dbraw/zinc/87/99/58/377879958.db2.gz VSXGYHBEDNKXFT-JHJVBQTASA-N 2 1 266.816 3.113 20 0 CGADMP C[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])c1cccc(Cl)c1 ZINC000262038334 377881650 /nfs/dbraw/zinc/88/16/50/377881650.db2.gz XZKOPNQYKWWRMI-GFCCVEGCSA-N 2 1 268.832 3.360 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262146787 377889860 /nfs/dbraw/zinc/88/98/60/377889860.db2.gz ZPGLVIPAUQZZKP-ZWKOTPCHSA-N 2 1 272.436 3.040 20 0 CGADMP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858687 377842567 /nfs/dbraw/zinc/84/25/67/377842567.db2.gz FVXIUKUQKCORKJ-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342858687 377842574 /nfs/dbraw/zinc/84/25/74/377842574.db2.gz FVXIUKUQKCORKJ-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261734698 377848134 /nfs/dbraw/zinc/84/81/34/377848134.db2.gz LODHVWAUZWDSDP-XIRDDKMYSA-N 2 1 272.436 3.153 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)ccc2c1 ZINC000261823902 377857923 /nfs/dbraw/zinc/85/79/23/377857923.db2.gz AXPAQSARJLIAIV-KBXCAEBGSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262496106 377900607 /nfs/dbraw/zinc/90/06/07/377900607.db2.gz LLOMPFJSEHJETR-IBGZPJMESA-N 2 1 296.414 3.034 20 0 CGADMP Clc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000266206769 378016598 /nfs/dbraw/zinc/01/65/98/378016598.db2.gz FLABKHQRAFNUJA-AWEZNQCLSA-N 2 1 299.805 3.339 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000343480133 377991841 /nfs/dbraw/zinc/99/18/41/377991841.db2.gz RQMGFFBRTJPAER-HNNXBMFYSA-N 2 1 294.414 3.143 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)cc1 ZINC000578237060 378050124 /nfs/dbraw/zinc/05/01/24/378050124.db2.gz YCLGQEVTJZUYGU-WWGRRREGSA-N 2 1 285.391 3.009 20 0 CGADMP C[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268810387 378117648 /nfs/dbraw/zinc/11/76/48/378117648.db2.gz NSRJLPLDSULLNK-GOEBONIOSA-N 2 1 290.426 3.078 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CCCc1cncn1C ZINC000579001380 378120084 /nfs/dbraw/zinc/12/00/84/378120084.db2.gz QKGGWICLVFBDBA-QGZVFWFLSA-N 2 1 285.435 3.306 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000579001380 378120090 /nfs/dbraw/zinc/12/00/90/378120090.db2.gz QKGGWICLVFBDBA-QGZVFWFLSA-N 2 1 285.435 3.306 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000579001380 378120095 /nfs/dbraw/zinc/12/00/95/378120095.db2.gz QKGGWICLVFBDBA-QGZVFWFLSA-N 2 1 285.435 3.306 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000268876048 378139336 /nfs/dbraw/zinc/13/93/36/378139336.db2.gz QOIQDKXNYUNLCP-AWEZNQCLSA-N 2 1 283.419 3.421 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000268779581 378108823 /nfs/dbraw/zinc/10/88/23/378108823.db2.gz BRSHWFJPKJWHRJ-MRXNPFEDSA-N 2 1 269.392 3.204 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000268788110 378110872 /nfs/dbraw/zinc/11/08/72/378110872.db2.gz FNFQECBXBNODRF-GFCCVEGCSA-N 2 1 269.348 3.289 20 0 CGADMP CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000269124810 378190657 /nfs/dbraw/zinc/19/06/57/378190657.db2.gz CGHLLMGVKBDGAE-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000269124810 378190658 /nfs/dbraw/zinc/19/06/58/378190658.db2.gz CGHLLMGVKBDGAE-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP CCc1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000345177385 378214302 /nfs/dbraw/zinc/21/43/02/378214302.db2.gz HWFBPBRRGDYAFB-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000344317948 378166494 /nfs/dbraw/zinc/16/64/94/378166494.db2.gz FVZAHBXANVWKGJ-INIZCTEOSA-N 2 1 276.811 3.179 20 0 CGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269029772 378177201 /nfs/dbraw/zinc/17/72/01/378177201.db2.gz RUUJMLLTNXBAMX-KBAYOESNSA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269029772 378177204 /nfs/dbraw/zinc/17/72/04/378177204.db2.gz RUUJMLLTNXBAMX-KBAYOESNSA-N 2 1 290.451 3.054 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000580905119 378268250 /nfs/dbraw/zinc/26/82/50/378268250.db2.gz POORWZJPEYKEFY-KRWDZBQOSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000583815547 378348767 /nfs/dbraw/zinc/34/87/67/378348767.db2.gz QWWGGALRSIHAGN-ZDUSSCGKSA-N 2 1 289.448 3.085 20 0 CGADMP Cc1nccn1CC[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000270856775 378406037 /nfs/dbraw/zinc/40/60/37/378406037.db2.gz QZSMGJLGMORLQR-UHFFFAOYSA-N 2 1 275.371 3.241 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000270856775 378406042 /nfs/dbraw/zinc/40/60/42/378406042.db2.gz QZSMGJLGMORLQR-UHFFFAOYSA-N 2 1 275.371 3.241 20 0 CGADMP COc1ccc2oc(C[NH2+]CCC[N@H+](C)C(C)C)cc2c1 ZINC000270627573 378378028 /nfs/dbraw/zinc/37/80/28/378378028.db2.gz LOULDTXKUJBYNY-UHFFFAOYSA-N 2 1 290.407 3.261 20 0 CGADMP COc1ccc2oc(C[NH2+]CCC[N@@H+](C)C(C)C)cc2c1 ZINC000270627573 378378030 /nfs/dbraw/zinc/37/80/30/378378030.db2.gz LOULDTXKUJBYNY-UHFFFAOYSA-N 2 1 290.407 3.261 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000346167440 378487822 /nfs/dbraw/zinc/48/78/22/378487822.db2.gz KKNKNGVXZMSBMB-GJZGRUSLSA-N 2 1 298.434 3.444 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](CC(C)C)CC(C)(C)C ZINC000346307945 378538363 /nfs/dbraw/zinc/53/83/63/378538363.db2.gz JYSXSWRIXAIXHB-UHFFFAOYSA-N 2 1 251.418 3.196 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](CC(C)C)CC(C)(C)C ZINC000346307945 378538371 /nfs/dbraw/zinc/53/83/71/378538371.db2.gz JYSXSWRIXAIXHB-UHFFFAOYSA-N 2 1 251.418 3.196 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000346304902 378539088 /nfs/dbraw/zinc/53/90/88/378539088.db2.gz CMXNUQKBZSSNCG-HNNXBMFYSA-N 2 1 271.408 3.063 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000346304902 378539093 /nfs/dbraw/zinc/53/90/93/378539093.db2.gz CMXNUQKBZSSNCG-HNNXBMFYSA-N 2 1 271.408 3.063 20 0 CGADMP CC(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272208050 378585050 /nfs/dbraw/zinc/58/50/50/378585050.db2.gz PSWCPFMZGWFNEL-WBVHZDCISA-N 2 1 260.425 3.143 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346574058 378629892 /nfs/dbraw/zinc/62/98/92/378629892.db2.gz ZFUUVXJOGMHWFQ-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]Cc1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272241270 378593285 /nfs/dbraw/zinc/59/32/85/378593285.db2.gz WOVBHQFRFZPWBC-LPHOPBHVSA-N 2 1 295.430 3.082 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000346966114 378699897 /nfs/dbraw/zinc/69/98/97/378699897.db2.gz CNPBOSJFKYAAHE-KEYYUXOJSA-N 2 1 276.399 3.208 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000638114690 378704424 /nfs/dbraw/zinc/70/44/24/378704424.db2.gz LADOLHSNPGIEBJ-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000638114690 378704431 /nfs/dbraw/zinc/70/44/31/378704431.db2.gz LADOLHSNPGIEBJ-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000638114690 378704435 /nfs/dbraw/zinc/70/44/35/378704435.db2.gz LADOLHSNPGIEBJ-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CCOC1CC(C[NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000638362216 378779839 /nfs/dbraw/zinc/77/98/39/378779839.db2.gz XFDIKEUGYKZLSP-ABHNRTSZSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CC1CCSCC1 ZINC000638366376 378780766 /nfs/dbraw/zinc/78/07/66/378780766.db2.gz NTRLFYGWNUBYEZ-OAHLLOKOSA-N 2 1 284.513 3.374 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000348081108 378782623 /nfs/dbraw/zinc/78/26/23/378782623.db2.gz IFLNRESKTZPUFX-CRAIPNDOSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000348081108 378782627 /nfs/dbraw/zinc/78/26/27/378782627.db2.gz IFLNRESKTZPUFX-CRAIPNDOSA-N 2 1 272.436 3.213 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000638443528 378804829 /nfs/dbraw/zinc/80/48/29/378804829.db2.gz NKZUAEFBEDIHPA-SJORKVTESA-N 2 1 294.483 3.212 20 0 CGADMP Cc1ccoc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000266223256 190241237 /nfs/dbraw/zinc/24/12/37/190241237.db2.gz RQXAWULKMFXIOE-CQSZACIVSA-N 2 1 264.413 3.190 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278472454 194001459 /nfs/dbraw/zinc/00/14/59/194001459.db2.gz HNYBJBXXGHVENO-UHFFFAOYSA-N 2 1 296.817 3.263 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346858594 218039371 /nfs/dbraw/zinc/03/93/71/218039371.db2.gz XQSYXTRJJOIBTB-MRXNPFEDSA-N 2 1 260.425 3.287 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000274631707 378866194 /nfs/dbraw/zinc/86/61/94/378866194.db2.gz ZUIPCHQYEFQIQU-GFCCVEGCSA-N 2 1 270.442 3.138 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000274631707 378866200 /nfs/dbraw/zinc/86/62/00/378866200.db2.gz ZUIPCHQYEFQIQU-GFCCVEGCSA-N 2 1 270.442 3.138 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2(C(C)C)CC2)C1 ZINC000638566973 378838169 /nfs/dbraw/zinc/83/81/69/378838169.db2.gz UUQZSXACRXDTFA-OAHLLOKOSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccns1 ZINC000638854453 378937268 /nfs/dbraw/zinc/93/72/68/378937268.db2.gz PPGUKUDIZFFSDH-UHFFFAOYSA-N 2 1 289.448 3.273 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347041513 218102382 /nfs/dbraw/zinc/10/23/82/218102382.db2.gz LADNLNUPIOBVRR-DOMZBBRYSA-N 2 1 266.816 3.126 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347041513 218102383 /nfs/dbraw/zinc/10/23/83/218102383.db2.gz LADNLNUPIOBVRR-DOMZBBRYSA-N 2 1 266.816 3.126 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1Cl)C1CC[NH2+]CC1 ZINC000347058487 218108124 /nfs/dbraw/zinc/10/81/24/218108124.db2.gz WPHYDGAMJKOSTB-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CCC[N@@H+](Cc1ccc(OC)cc1Cl)C1CC[NH2+]CC1 ZINC000347058487 218108127 /nfs/dbraw/zinc/10/81/27/218108127.db2.gz WPHYDGAMJKOSTB-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CC[C@](C)(C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638973218 378963204 /nfs/dbraw/zinc/96/32/04/378963204.db2.gz YOTNSPPOASZQRF-BFYDXBDKSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000347139961 218134786 /nfs/dbraw/zinc/13/47/86/218134786.db2.gz VQVRSTVVGDFZHV-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000347139961 218134788 /nfs/dbraw/zinc/13/47/88/218134788.db2.gz VQVRSTVVGDFZHV-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152889 218139668 /nfs/dbraw/zinc/13/96/68/218139668.db2.gz BMXGKZFUNPDFON-DNVCBOLYSA-N 2 1 295.430 3.450 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152889 218139670 /nfs/dbraw/zinc/13/96/70/218139670.db2.gz BMXGKZFUNPDFON-DNVCBOLYSA-N 2 1 295.430 3.450 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347187673 218150039 /nfs/dbraw/zinc/15/00/39/218150039.db2.gz CJINYNPAOPSWEB-GJZGRUSLSA-N 2 1 276.424 3.033 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)CC[N@H+]1C ZINC000370619735 379038622 /nfs/dbraw/zinc/03/86/22/379038622.db2.gz FIWIHXCGOVMAEG-BEFAXECRSA-N 2 1 295.430 3.321 20 0 CGADMP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000639132984 379057734 /nfs/dbraw/zinc/05/77/34/379057734.db2.gz FOTDUKQVAWKPQU-NXYGQSRBSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@]1(F)CC[NH+](CCCCC[N@@H+]2CC[C@](C)(F)C2)C1 ZINC000347345315 218198437 /nfs/dbraw/zinc/19/84/37/218198437.db2.gz HXYSQYWNQUDUCX-GJZGRUSLSA-N 2 1 274.399 3.025 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639169592 379089042 /nfs/dbraw/zinc/08/90/42/379089042.db2.gz GQFHJDMJOSCETD-FPAYPSAMSA-N 2 1 286.463 3.499 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000277241470 379108104 /nfs/dbraw/zinc/10/81/04/379108104.db2.gz PLLREYXAZDXFES-AWEZNQCLSA-N 2 1 298.377 3.204 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000277241470 379108109 /nfs/dbraw/zinc/10/81/09/379108109.db2.gz PLLREYXAZDXFES-AWEZNQCLSA-N 2 1 298.377 3.204 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277312024 379127151 /nfs/dbraw/zinc/12/71/51/379127151.db2.gz BRUAOIBQBOVDER-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277312024 379127160 /nfs/dbraw/zinc/12/71/60/379127160.db2.gz BRUAOIBQBOVDER-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)CC1 ZINC000277340476 379135480 /nfs/dbraw/zinc/13/54/80/379135480.db2.gz WCHSUTUJZXAGDX-HNNXBMFYSA-N 2 1 272.392 3.349 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC000277340476 379135488 /nfs/dbraw/zinc/13/54/88/379135488.db2.gz WCHSUTUJZXAGDX-HNNXBMFYSA-N 2 1 272.392 3.349 20 0 CGADMP COC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000130030220 284763313 /nfs/dbraw/zinc/76/33/13/284763313.db2.gz OFUMKIZELQKQRE-RDHHWEPZSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000639244592 379187871 /nfs/dbraw/zinc/18/78/71/379187871.db2.gz MUJVELSZOICCED-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000349387780 379263901 /nfs/dbraw/zinc/26/39/01/379263901.db2.gz WOJQJTUASSPMJY-HOCLYGCPSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000349387780 379263908 /nfs/dbraw/zinc/26/39/08/379263908.db2.gz WOJQJTUASSPMJY-HOCLYGCPSA-N 2 1 263.429 3.340 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1C ZINC000349415254 379274239 /nfs/dbraw/zinc/27/42/39/379274239.db2.gz IMJQTQDXCULFQA-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1C ZINC000349415254 379274251 /nfs/dbraw/zinc/27/42/51/379274251.db2.gz IMJQTQDXCULFQA-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+]CC3=CC[N@@H+](C)CC3)cc2c1C ZINC000349603567 379316163 /nfs/dbraw/zinc/31/61/63/379316163.db2.gz XELPIUCVVPQUNE-UHFFFAOYSA-N 2 1 283.419 3.136 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510244 379443254 /nfs/dbraw/zinc/44/32/54/379443254.db2.gz ZHGLPJAOZIQORY-WBVHZDCISA-N 2 1 289.467 3.311 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510244 379443263 /nfs/dbraw/zinc/44/32/63/379443263.db2.gz ZHGLPJAOZIQORY-WBVHZDCISA-N 2 1 289.467 3.311 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510244 379443271 /nfs/dbraw/zinc/44/32/71/379443271.db2.gz ZHGLPJAOZIQORY-WBVHZDCISA-N 2 1 289.467 3.311 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510244 379443279 /nfs/dbraw/zinc/44/32/79/379443279.db2.gz ZHGLPJAOZIQORY-WBVHZDCISA-N 2 1 289.467 3.311 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000278978593 379409481 /nfs/dbraw/zinc/40/94/81/379409481.db2.gz OLXNTNZNLIASBR-HIFRSBDPSA-N 2 1 299.418 3.342 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)CC2CCOCC2)C[C@@H]1C ZINC000349966234 379462934 /nfs/dbraw/zinc/46/29/34/379462934.db2.gz GCKNSCRXXITRTC-RYRKJORJSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)CC2CCOCC2)C[C@@H]1C ZINC000349966234 379462939 /nfs/dbraw/zinc/46/29/39/379462939.db2.gz GCKNSCRXXITRTC-RYRKJORJSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@@H](CC1CCOCC1)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000349969387 379465540 /nfs/dbraw/zinc/46/55/40/379465540.db2.gz ICGJWBGUJBISFT-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H](CC1CCOCC1)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000349969387 379465550 /nfs/dbraw/zinc/46/55/50/379465550.db2.gz ICGJWBGUJBISFT-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP c1ccc(C(CN2CC=CCC2)C[N@@H+]2CC=CCC2)cc1 ZINC000639572518 379483080 /nfs/dbraw/zinc/48/30/80/379483080.db2.gz QYTGOTBUBWBTON-UHFFFAOYSA-N 2 1 282.431 3.294 20 0 CGADMP c1ccc(C(C[NH+]2CC=CCC2)C[N@H+]2CC=CCC2)cc1 ZINC000639572518 379483090 /nfs/dbraw/zinc/48/30/90/379483090.db2.gz QYTGOTBUBWBTON-UHFFFAOYSA-N 2 1 282.431 3.294 20 0 CGADMP c1ccc(C(C[NH+]2CC=CCC2)C[N@@H+]2CC=CCC2)cc1 ZINC000639572518 379483103 /nfs/dbraw/zinc/48/31/03/379483103.db2.gz QYTGOTBUBWBTON-UHFFFAOYSA-N 2 1 282.431 3.294 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639695953 379552782 /nfs/dbraw/zinc/55/27/82/379552782.db2.gz FUVQNSKIRDMVSX-SFHVURJKSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639695953 379552783 /nfs/dbraw/zinc/55/27/83/379552783.db2.gz FUVQNSKIRDMVSX-SFHVURJKSA-N 2 1 298.434 3.246 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000639756136 379570407 /nfs/dbraw/zinc/57/04/07/379570407.db2.gz QNYCMMCQFNRHJZ-ROUUACIJSA-N 2 1 284.447 3.208 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758617 379571471 /nfs/dbraw/zinc/57/14/71/379571471.db2.gz WJTLWRHKXTWERL-OAHLLOKOSA-N 2 1 258.409 3.165 20 0 CGADMP C[N@@H+](Cc1cccs1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377701603 379725230 /nfs/dbraw/zinc/72/52/30/379725230.db2.gz UCTRBQJYYLTDQA-UHFFFAOYSA-N 2 1 287.432 3.244 20 0 CGADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000377801988 379744008 /nfs/dbraw/zinc/74/40/08/379744008.db2.gz DLCXYXUGODNMSX-FOCJUVANSA-N 2 1 273.424 3.071 20 0 CGADMP COc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C(C)C)cc1 ZINC000377803582 379744225 /nfs/dbraw/zinc/74/42/25/379744225.db2.gz YBLHGBKJAGFUPL-KDOFPFPSSA-N 2 1 299.418 3.263 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000267442216 190330441 /nfs/dbraw/zinc/33/04/41/190330441.db2.gz PFJDRYKYSWDYDJ-MRXNPFEDSA-N 2 1 269.392 3.140 20 0 CGADMP CC1(C)Cc2cc(C[N@H+]3CCCC[C@H]3CC[NH3+])ccc2O1 ZINC000352526310 379844769 /nfs/dbraw/zinc/84/47/69/379844769.db2.gz MLJPVUFTCQJVOZ-INIZCTEOSA-N 2 1 288.435 3.103 20 0 CGADMP CCSc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352540898 379849026 /nfs/dbraw/zinc/84/90/26/379849026.db2.gz RCIZFGDVQCCSKV-KRWDZBQOSA-N 2 1 290.476 3.374 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352540898 379849032 /nfs/dbraw/zinc/84/90/32/379849032.db2.gz RCIZFGDVQCCSKV-KRWDZBQOSA-N 2 1 290.476 3.374 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000386515695 379876639 /nfs/dbraw/zinc/87/66/39/379876639.db2.gz MWDGAZYIOXLMDP-MCIONIFRSA-N 2 1 254.462 3.377 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(Cl)c2)C1 ZINC000282652938 379962873 /nfs/dbraw/zinc/96/28/73/379962873.db2.gz MAIAMBANEUQYPP-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP c1cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc2o1 ZINC000352793408 379963871 /nfs/dbraw/zinc/96/38/71/379963871.db2.gz PJUIIJCDWDPFBJ-HZPDHXFCSA-N 2 1 270.376 3.149 20 0 CGADMP c1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)ccc2o1 ZINC000352793408 379963873 /nfs/dbraw/zinc/96/38/73/379963873.db2.gz PJUIIJCDWDPFBJ-HZPDHXFCSA-N 2 1 270.376 3.149 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000352793603 379964393 /nfs/dbraw/zinc/96/43/93/379964393.db2.gz CGZMHESMUGLWNR-KKUMJFAQSA-N 2 1 279.403 3.134 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)s1 ZINC000352746567 379936793 /nfs/dbraw/zinc/93/67/93/379936793.db2.gz BXTLYTBOOXUJFA-LSDHHAIUSA-N 2 1 293.480 3.263 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)C1 ZINC000352761578 379945930 /nfs/dbraw/zinc/94/59/30/379945930.db2.gz CCMFJADHDVPSBA-ITGUQSILSA-N 2 1 281.469 3.119 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000352776543 379952533 /nfs/dbraw/zinc/95/25/33/379952533.db2.gz SVHWMEBZCDSDGF-YTRGCGJWSA-N 2 1 280.362 3.050 20 0 CGADMP CC(C)(C)c1cc[nH+]c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000641299926 379986287 /nfs/dbraw/zinc/98/62/87/379986287.db2.gz YAWOJBVCFIYYNN-LSDHHAIUSA-N 2 1 273.424 3.418 20 0 CGADMP CC(C)(C)c1cc[nH+]c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000641299926 379986294 /nfs/dbraw/zinc/98/62/94/379986294.db2.gz YAWOJBVCFIYYNN-LSDHHAIUSA-N 2 1 273.424 3.418 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000414200949 380201149 /nfs/dbraw/zinc/20/11/49/380201149.db2.gz XXYVIPRJLMMINX-DOTOQJQBSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000354101013 380325021 /nfs/dbraw/zinc/32/50/21/380325021.db2.gz QFWCLJWLQGNPCU-AWEZNQCLSA-N 2 1 294.389 3.129 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)n1 ZINC000643511395 380334208 /nfs/dbraw/zinc/33/42/08/380334208.db2.gz BPHYOCRUCZDAHZ-PBHICJAKSA-N 2 1 275.440 3.257 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cscc2Cl)C[C@H]1C[NH3+] ZINC000643427665 380304773 /nfs/dbraw/zinc/30/47/73/380304773.db2.gz SWENSPXZLBLNEC-OUAUKWLOSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cscc2Cl)C[C@H]1C[NH3+] ZINC000643427665 380304778 /nfs/dbraw/zinc/30/47/78/380304778.db2.gz SWENSPXZLBLNEC-OUAUKWLOSA-N 2 1 272.845 3.207 20 0 CGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000643521446 380336091 /nfs/dbraw/zinc/33/60/91/380336091.db2.gz IWMSFMGTLAUGQN-CHWSQXEVSA-N 2 1 298.377 3.389 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccncc1 ZINC000643460284 380312368 /nfs/dbraw/zinc/31/23/68/380312368.db2.gz LEHWKUKAZHXSEO-ATZDWAIDSA-N 2 1 295.430 3.268 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414672147 380363947 /nfs/dbraw/zinc/36/39/47/380363947.db2.gz ACXBZMWHRBSHMU-MPGHIAIKSA-N 2 1 288.435 3.220 20 0 CGADMP COc1cccc([C@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)c1 ZINC000414681927 380371462 /nfs/dbraw/zinc/37/14/62/380371462.db2.gz QDCJGIBSJSQSCP-DOTOQJQBSA-N 2 1 276.424 3.206 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)c1 ZINC000414681927 380371463 /nfs/dbraw/zinc/37/14/63/380371463.db2.gz QDCJGIBSJSQSCP-DOTOQJQBSA-N 2 1 276.424 3.206 20 0 CGADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000414717475 380385119 /nfs/dbraw/zinc/38/51/19/380385119.db2.gz ZNJCLHGHIMYHQN-IXDOHACOSA-N 2 1 290.451 3.084 20 0 CGADMP CC[N@@H+](CC1CCC(C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000414720442 380387278 /nfs/dbraw/zinc/38/72/78/380387278.db2.gz YMEGTDIZWPZTMF-UYSNPLJNSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)COc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000414750168 380391563 /nfs/dbraw/zinc/39/15/63/380391563.db2.gz KXEOLJYNJMBWAI-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000643886606 380392559 /nfs/dbraw/zinc/39/25/59/380392559.db2.gz ISTMZPUFQMDMME-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3[nH]ccc3c2)CC[N@H+]1C ZINC000643886606 380392565 /nfs/dbraw/zinc/39/25/65/380392565.db2.gz ISTMZPUFQMDMME-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3[nH]ccc3c2)CC[NH+]1C ZINC000643886606 380392567 /nfs/dbraw/zinc/39/25/67/380392567.db2.gz ISTMZPUFQMDMME-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3[nH]ccc3c2)CC[NH+]1C ZINC000643886606 380392572 /nfs/dbraw/zinc/39/25/72/380392572.db2.gz ISTMZPUFQMDMME-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP CCCCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414751399 380393067 /nfs/dbraw/zinc/39/30/67/380393067.db2.gz NFNUJGNUVHWURF-QGZVFWFLSA-N 2 1 290.451 3.439 20 0 CGADMP CCCCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000414751397 380393397 /nfs/dbraw/zinc/39/33/97/380393397.db2.gz NFNUJGNUVHWURF-KRWDZBQOSA-N 2 1 290.451 3.439 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000643525961 380340776 /nfs/dbraw/zinc/34/07/76/380340776.db2.gz KINXAGORNJEXLP-LSDHHAIUSA-N 2 1 284.403 3.263 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000643527046 380342201 /nfs/dbraw/zinc/34/22/01/380342201.db2.gz CGCSVLJUWVLKKB-YVEFUNNKSA-N 2 1 290.357 3.185 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000643526882 380343381 /nfs/dbraw/zinc/34/33/81/380343381.db2.gz HAKVFRYKHYOSRM-CXAGYDPISA-N 2 1 272.367 3.046 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1C(F)(F)F ZINC000414657603 380356632 /nfs/dbraw/zinc/35/66/32/380356632.db2.gz KOWZDEIBMLMAHC-SMDDNHRTSA-N 2 1 286.341 3.183 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546169 380359075 /nfs/dbraw/zinc/35/90/75/380359075.db2.gz JXINZNJALQJGIE-ZBFHGGJFSA-N 2 1 286.419 3.165 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1F ZINC000643546083 380359417 /nfs/dbraw/zinc/35/94/17/380359417.db2.gz IDYSCCCTHMVHNR-YPMHNXCESA-N 2 1 280.362 3.290 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546764 380360765 /nfs/dbraw/zinc/36/07/65/380360765.db2.gz UNTAETLYXCEYBJ-ZIAGYGMSSA-N 2 1 274.408 3.021 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643546773 380361957 /nfs/dbraw/zinc/36/19/57/380361957.db2.gz UPLIYFCPHMKSIY-AAEUAGOBSA-N 2 1 293.480 3.339 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414813588 380423866 /nfs/dbraw/zinc/42/38/66/380423866.db2.gz MQECIRIVXJTKLD-GFCCVEGCSA-N 2 1 290.329 3.192 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414813591 380424683 /nfs/dbraw/zinc/42/46/83/380424683.db2.gz MQECIRIVXJTKLD-LBPRGKRZSA-N 2 1 290.329 3.192 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854327 380456113 /nfs/dbraw/zinc/45/61/13/380456113.db2.gz UWDPKYBXXDGTIC-RHSMWYFYSA-N 2 1 290.451 3.123 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414796615 380410128 /nfs/dbraw/zinc/41/01/28/380410128.db2.gz CCSZWPBRWMDCIA-UHFFFAOYSA-N 2 1 278.396 3.381 20 0 CGADMP CCCCCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414802365 380414638 /nfs/dbraw/zinc/41/46/38/380414638.db2.gz MTZAZTSRIAMKKE-KRWDZBQOSA-N 2 1 276.424 3.083 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414802685 380416452 /nfs/dbraw/zinc/41/64/52/380416452.db2.gz LEEVHXIBDJQKBE-UHFFFAOYSA-N 2 1 268.404 3.489 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414805297 380418002 /nfs/dbraw/zinc/41/80/02/380418002.db2.gz AKTJDJMTJBERCU-WDEREUQCSA-N 2 1 254.340 3.215 20 0 CGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000414806449 380418923 /nfs/dbraw/zinc/41/89/23/380418923.db2.gz QIKNEOFCIYSHFA-YPMHNXCESA-N 2 1 291.420 3.010 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414809984 380422085 /nfs/dbraw/zinc/42/20/85/380422085.db2.gz NDLSGGLZTUDSAG-UHFFFAOYSA-N 2 1 291.826 3.495 20 0 CGADMP C[C@@H](C[NH3+])[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414946158 380502926 /nfs/dbraw/zinc/50/29/26/380502926.db2.gz RRHACUOKZDJQMQ-SBSDFTTDSA-N 2 1 296.414 3.216 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000415060168 380507834 /nfs/dbraw/zinc/50/78/34/380507834.db2.gz YHNRHKWBLPOROJ-HFTRVMKXSA-N 2 1 290.426 3.393 20 0 CGADMP Cc1ccc(CCC[N@H+](C)CC2(O)CCCCCC2)cn1 ZINC000354652541 380515239 /nfs/dbraw/zinc/51/52/39/380515239.db2.gz RFPIKYADIHWMPH-UHFFFAOYSA-N 2 1 290.451 3.340 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880597 380471911 /nfs/dbraw/zinc/47/19/11/380471911.db2.gz QMZJGWRBOCNXHC-DOTOQJQBSA-N 2 1 289.467 3.366 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCC1 ZINC000414880326 380472502 /nfs/dbraw/zinc/47/25/02/380472502.db2.gz JNQNPFBEOGVYBV-UHFFFAOYSA-N 2 1 292.732 3.330 20 0 CGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)CCC2 ZINC000355128607 380588549 /nfs/dbraw/zinc/58/85/49/380588549.db2.gz CXDOFJSVAMETIO-MOPGFXCFSA-N 2 1 284.447 3.234 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)CCC2 ZINC000355128607 380588552 /nfs/dbraw/zinc/58/85/52/380588552.db2.gz CXDOFJSVAMETIO-MOPGFXCFSA-N 2 1 284.447 3.234 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000417345275 380602298 /nfs/dbraw/zinc/60/22/98/380602298.db2.gz XLTOFLZBPIBJBM-OKYOBFRVSA-N 2 1 296.458 3.287 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC000645188242 380609199 /nfs/dbraw/zinc/60/91/99/380609199.db2.gz VIDUJMBATLIBMN-ZWKOTPCHSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCc4ccccc43)C2)C1 ZINC000645188242 380609204 /nfs/dbraw/zinc/60/92/04/380609204.db2.gz VIDUJMBATLIBMN-ZWKOTPCHSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCc4ccccc43)C2)C1 ZINC000645188242 380609211 /nfs/dbraw/zinc/60/92/11/380609211.db2.gz VIDUJMBATLIBMN-ZWKOTPCHSA-N 2 1 270.420 3.092 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000417871889 380684944 /nfs/dbraw/zinc/68/49/44/380684944.db2.gz MXCRQEZNHNDSTP-XLAORIBOSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000417871889 380684945 /nfs/dbraw/zinc/68/49/45/380684945.db2.gz MXCRQEZNHNDSTP-XLAORIBOSA-N 2 1 270.420 3.007 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645778695 380727662 /nfs/dbraw/zinc/72/76/62/380727662.db2.gz QPHYXCZKCLIDFC-GOSISDBHSA-N 2 1 296.499 3.247 20 0 CGADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000419255216 380790679 /nfs/dbraw/zinc/79/06/79/380790679.db2.gz YGWGMRLXJDZKRS-BQFCYCMXSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCSC2)C1 ZINC000365881684 296313885 /nfs/dbraw/zinc/31/38/85/296313885.db2.gz MJFVJHOZEKVUGC-IKGGRYGDSA-N 2 1 296.524 3.326 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000365881684 296313886 /nfs/dbraw/zinc/31/38/86/296313886.db2.gz MJFVJHOZEKVUGC-IKGGRYGDSA-N 2 1 296.524 3.326 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000365881684 296313888 /nfs/dbraw/zinc/31/38/88/296313888.db2.gz MJFVJHOZEKVUGC-IKGGRYGDSA-N 2 1 296.524 3.326 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420321266 380848598 /nfs/dbraw/zinc/84/85/98/380848598.db2.gz RBIVYNLXXIMEFD-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420314606 380849168 /nfs/dbraw/zinc/84/91/68/380849168.db2.gz ZEBQXODGSDFZTF-GVDBMIGSSA-N 2 1 272.436 3.172 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327202 380849517 /nfs/dbraw/zinc/84/95/17/380849517.db2.gz KZDKAVGLIQRZFJ-SCTDSRPQSA-N 2 1 284.447 3.386 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327199 380849527 /nfs/dbraw/zinc/84/95/27/380849527.db2.gz KZDKAVGLIQRZFJ-AOIWGVFYSA-N 2 1 284.447 3.386 20 0 CGADMP C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420368709 380851170 /nfs/dbraw/zinc/85/11/70/380851170.db2.gz IELCRNLUUPERDJ-KXBFYZLASA-N 2 1 280.415 3.176 20 0 CGADMP C[C@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420368709 380851190 /nfs/dbraw/zinc/85/11/90/380851190.db2.gz IELCRNLUUPERDJ-KXBFYZLASA-N 2 1 280.415 3.176 20 0 CGADMP C[NH2+]CCC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000420372691 380852364 /nfs/dbraw/zinc/85/23/64/380852364.db2.gz LTKZQMPYZWVDCR-GDBMZVCRSA-N 2 1 276.424 3.078 20 0 CGADMP CC1CCC(C)(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000359033235 381335640 /nfs/dbraw/zinc/33/56/40/381335640.db2.gz HMYCQOJHYBKJEX-FYRZTWFESA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OC)c1 ZINC000360028456 381418104 /nfs/dbraw/zinc/41/81/04/381418104.db2.gz FONGOLHIYQQUQE-RYRKJORJSA-N 2 1 288.435 3.363 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCCCC3)CC[NH2+]2)cc1 ZINC000334843492 207174049 /nfs/dbraw/zinc/17/40/49/207174049.db2.gz QKLUFFGQKVTWCM-IRXDYDNUSA-N 2 1 258.409 3.402 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000334856731 207194034 /nfs/dbraw/zinc/19/40/34/207194034.db2.gz JYOFEFGKOWVUMH-JOYOIKCWSA-N 2 1 273.207 3.081 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CCC2 ZINC000360861688 381631004 /nfs/dbraw/zinc/63/10/04/381631004.db2.gz SXMJZAWJNYQTII-NWDGAFQWSA-N 2 1 281.469 3.013 20 0 CGADMP c1cc2cc[nH+]cc2c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000227302070 542293264 /nfs/dbraw/zinc/29/32/64/542293264.db2.gz FMKLRNMBQWBVMD-GJZGRUSLSA-N 2 1 267.376 3.274 20 0 CGADMP c1cc2cc[nH+]cc2c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000227302070 542293267 /nfs/dbraw/zinc/29/32/67/542293267.db2.gz FMKLRNMBQWBVMD-GJZGRUSLSA-N 2 1 267.376 3.274 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc2cnccc21 ZINC000228555540 542298883 /nfs/dbraw/zinc/29/88/83/542298883.db2.gz XDQMBNJBEBCGGA-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000232675487 542306546 /nfs/dbraw/zinc/30/65/46/542306546.db2.gz HNMQYTCKYDVJMK-MRXNPFEDSA-N 2 1 283.419 3.055 20 0 CGADMP CCC[N@@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000233068961 542307598 /nfs/dbraw/zinc/30/75/98/542307598.db2.gz SACSZSDFMCJRCT-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000233068961 542307601 /nfs/dbraw/zinc/30/76/01/542307601.db2.gz SACSZSDFMCJRCT-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000367897212 382359865 /nfs/dbraw/zinc/35/98/65/382359865.db2.gz LMRJJSGDMKTJQH-NVXWUHKLSA-N 2 1 275.440 3.196 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000367897212 382359868 /nfs/dbraw/zinc/35/98/68/382359868.db2.gz LMRJJSGDMKTJQH-NVXWUHKLSA-N 2 1 275.440 3.196 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cnccc32)[C@@H](C)C1 ZINC000248384617 542334760 /nfs/dbraw/zinc/33/47/60/542334760.db2.gz FNPYCFVEUOHQPK-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cnccc32)[C@@H](C)C1 ZINC000248384617 542334763 /nfs/dbraw/zinc/33/47/63/542334763.db2.gz FNPYCFVEUOHQPK-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cnccc32)[C@@H](C)C1 ZINC000248384617 542334767 /nfs/dbraw/zinc/33/47/67/542334767.db2.gz FNPYCFVEUOHQPK-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)CC1 ZINC000369722469 382393947 /nfs/dbraw/zinc/39/39/47/382393947.db2.gz SBLKZQADJNZWNA-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000251845718 542348719 /nfs/dbraw/zinc/34/87/19/542348719.db2.gz RGEIPQFWBHRIFL-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(C)nc3ccccc23)CC[C@H]1[NH3+] ZINC000251876529 542348798 /nfs/dbraw/zinc/34/87/98/542348798.db2.gz UWDBASZRZHDSRS-WMLDXEAASA-N 2 1 283.419 3.102 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000251946486 542348763 /nfs/dbraw/zinc/34/87/63/542348763.db2.gz WKQZPDJLZGFKRJ-FPCVCCKLSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586288 542367475 /nfs/dbraw/zinc/36/74/75/542367475.db2.gz WVCSYRJWVFHCLU-CRAIPNDOSA-N 2 1 272.436 3.287 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745337 220294865 /nfs/dbraw/zinc/29/48/65/220294865.db2.gz JCFIHWPFSFKPIL-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745337 220294868 /nfs/dbraw/zinc/29/48/68/220294868.db2.gz JCFIHWPFSFKPIL-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745337 220294870 /nfs/dbraw/zinc/29/48/70/220294870.db2.gz JCFIHWPFSFKPIL-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C)C[C@H]1C ZINC000353746633 220295734 /nfs/dbraw/zinc/29/57/34/220295734.db2.gz MKTKRZMKSHRYIP-PBHICJAKSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C)C[C@H]1C ZINC000353746633 220295737 /nfs/dbraw/zinc/29/57/37/220295737.db2.gz MKTKRZMKSHRYIP-PBHICJAKSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C)C[C@H]1C ZINC000353746633 220295741 /nfs/dbraw/zinc/29/57/41/220295741.db2.gz MKTKRZMKSHRYIP-PBHICJAKSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)C[C@H]1C ZINC000353746633 220295745 /nfs/dbraw/zinc/29/57/45/220295745.db2.gz MKTKRZMKSHRYIP-PBHICJAKSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765994 220314725 /nfs/dbraw/zinc/31/47/25/220314725.db2.gz FVRBILNOYBJMCW-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765994 220314729 /nfs/dbraw/zinc/31/47/29/220314729.db2.gz FVRBILNOYBJMCW-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765994 220314731 /nfs/dbraw/zinc/31/47/31/220314731.db2.gz FVRBILNOYBJMCW-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765994 220314734 /nfs/dbraw/zinc/31/47/34/220314734.db2.gz FVRBILNOYBJMCW-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000423234146 533108283 /nfs/dbraw/zinc/10/82/83/533108283.db2.gz LCTOAESWSGHPMG-KGLIPLIRSA-N 2 1 284.403 3.251 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1F ZINC000152692587 533112706 /nfs/dbraw/zinc/11/27/06/533112706.db2.gz TWTAYMCUZIFNMB-GFCCVEGCSA-N 2 1 292.398 3.112 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000037979302 285192030 /nfs/dbraw/zinc/19/20/30/285192030.db2.gz OJBXUUZKQIYHMI-SFHVURJKSA-N 2 1 288.435 3.220 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc3cc(OC)ccc3c2)CC[C@H]1[NH3+] ZINC000317641526 542437990 /nfs/dbraw/zinc/43/79/90/542437990.db2.gz YJGGEIAUITYFEP-HNAYVOBHSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000281247924 195166111 /nfs/dbraw/zinc/16/61/11/195166111.db2.gz NSLIGLQLSKUHQJ-NVXWUHKLSA-N 2 1 287.451 3.100 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCC2(C)C)([NH+](C)C)C1 ZINC000310931665 296455441 /nfs/dbraw/zinc/45/54/41/296455441.db2.gz LTMYPBICSPQRHG-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1nccs1 ZINC000423294602 533450436 /nfs/dbraw/zinc/45/04/36/533450436.db2.gz UYEZHGPNQVJLRO-WDEREUQCSA-N 2 1 261.394 3.014 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414186890 533410164 /nfs/dbraw/zinc/41/01/64/533410164.db2.gz PPOGFZQBFCDFDV-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1csc(Cl)c1 ZINC000423345521 533426905 /nfs/dbraw/zinc/42/69/05/533426905.db2.gz PBNDBDNJXJIBSK-MFKMUULPSA-N 2 1 272.845 3.442 20 0 CGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(-c2ccccc2)c1 ZINC000423435535 533531517 /nfs/dbraw/zinc/53/15/17/533531517.db2.gz OUHSMQKLWFMXJP-BPQTVZERSA-N 2 1 278.399 3.222 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1N(C)C ZINC000423264291 533511894 /nfs/dbraw/zinc/51/18/94/533511894.db2.gz PUDYTWWHKZFENT-PBHICJAKSA-N 2 1 289.467 3.311 20 0 CGADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1F ZINC000424387995 533591349 /nfs/dbraw/zinc/59/13/49/533591349.db2.gz YVECFCGKZDFCAK-AWEZNQCLSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423387992 533567465 /nfs/dbraw/zinc/56/74/65/533567465.db2.gz MKENIXFKBNFTRW-RDJZCZTQSA-N 2 1 289.467 3.161 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000386105757 542603423 /nfs/dbraw/zinc/60/34/23/542603423.db2.gz SIVIROZLUZENEK-XUWVNRHRSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000414169234 542634158 /nfs/dbraw/zinc/63/41/58/542634158.db2.gz AXMHOVZMMWRERJ-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000414922894 542640892 /nfs/dbraw/zinc/64/08/92/542640892.db2.gz HROJZTPNAIEPGK-KBPBESRZSA-N 2 1 287.432 3.170 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037649332 391982794 /nfs/dbraw/zinc/98/27/94/391982794.db2.gz RVYFSJDJSOWELF-JKSUJKDBSA-N 2 1 272.436 3.438 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994686 391965560 /nfs/dbraw/zinc/96/55/60/391965560.db2.gz UCTHZGOMFAOZCX-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP FC(F)(F)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000068635061 392167060 /nfs/dbraw/zinc/16/70/60/392167060.db2.gz MWHVVUMYYLTHSZ-UHFFFAOYSA-N 2 1 290.373 3.324 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000361763653 392317244 /nfs/dbraw/zinc/31/72/44/392317244.db2.gz ISJLISRUANYDNM-LXZKKBNFSA-N 2 1 276.424 3.219 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000442773143 542665543 /nfs/dbraw/zinc/66/55/43/542665543.db2.gz WOWPGZMRUBNCGO-HIFPTAJRSA-N 2 1 262.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000249372150 131121633 /nfs/dbraw/zinc/12/16/33/131121633.db2.gz DBNLRYKVXFWCIJ-OLZOCXBDSA-N 2 1 252.427 3.049 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000249312053 131121830 /nfs/dbraw/zinc/12/18/30/131121830.db2.gz MDDHMGGSIYYYCE-KJWYOANISA-N 2 1 272.436 3.382 20 0 CGADMP c1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250526688 131126126 /nfs/dbraw/zinc/12/61/26/131126126.db2.gz HWKKJOLHRCADBP-CABCVRRESA-N 2 1 270.376 3.149 20 0 CGADMP c1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250526688 131126128 /nfs/dbraw/zinc/12/61/28/131126128.db2.gz HWKKJOLHRCADBP-CABCVRRESA-N 2 1 270.376 3.149 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113655615 392383032 /nfs/dbraw/zinc/38/30/32/392383032.db2.gz NYBXWLDGYHALNW-WCQYABFASA-N 2 1 286.341 3.265 20 0 CGADMP Cc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000263775599 131328547 /nfs/dbraw/zinc/32/85/47/131328547.db2.gz XNSGHTQUHWUULH-UHFFFAOYSA-N 2 1 260.425 3.300 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000129981657 392453182 /nfs/dbraw/zinc/45/31/82/392453182.db2.gz XFXHDXFCYMSTCZ-KRWDZBQOSA-N 2 1 276.399 3.275 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000153673769 392526103 /nfs/dbraw/zinc/52/61/03/392526103.db2.gz GNGIABGOVHFIFT-MLGOLLRUSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000153673769 392526108 /nfs/dbraw/zinc/52/61/08/392526108.db2.gz GNGIABGOVHFIFT-MLGOLLRUSA-N 2 1 278.827 3.211 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(C)cc1 ZINC000153733153 392527736 /nfs/dbraw/zinc/52/77/36/392527736.db2.gz AICFRWPHCUEZIE-QGZVFWFLSA-N 2 1 278.440 3.004 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000157947043 392551835 /nfs/dbraw/zinc/55/18/35/392551835.db2.gz HPFRONQENDRDMN-CABCVRRESA-N 2 1 264.413 3.442 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cncc(F)c1 ZINC000157942011 392551896 /nfs/dbraw/zinc/55/18/96/392551896.db2.gz YXMGZVKKHYIWSF-GJZGRUSLSA-N 2 1 293.430 3.383 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158705228 392574477 /nfs/dbraw/zinc/57/44/77/392574477.db2.gz IQQKWOYMQXWLAJ-YSVLISHTSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158705228 392574481 /nfs/dbraw/zinc/57/44/81/392574481.db2.gz IQQKWOYMQXWLAJ-YSVLISHTSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158705228 392574484 /nfs/dbraw/zinc/57/44/84/392574484.db2.gz IQQKWOYMQXWLAJ-YSVLISHTSA-N 2 1 276.399 3.303 20 0 CGADMP Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc[nH+]1 ZINC000302555017 392616409 /nfs/dbraw/zinc/61/64/09/392616409.db2.gz JKTMPFPUKSRMHD-DLBZAZTESA-N 2 1 287.451 3.481 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000161879305 392588147 /nfs/dbraw/zinc/58/81/47/392588147.db2.gz XWYRQYUQTYMVLA-GOEBONIOSA-N 2 1 293.430 3.383 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000162180035 392593005 /nfs/dbraw/zinc/59/30/05/392593005.db2.gz BYVDZRCUCABMIX-HZPDHXFCSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1cccc(NCCC[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000157027369 392549449 /nfs/dbraw/zinc/54/94/49/392549449.db2.gz RWWUWUHHTNDILH-UHFFFAOYSA-N 2 1 281.403 3.250 20 0 CGADMP Cc1cccc(NCCC[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000157027369 392549453 /nfs/dbraw/zinc/54/94/53/392549453.db2.gz RWWUWUHHTNDILH-UHFFFAOYSA-N 2 1 281.403 3.250 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@H](c2ccccc2)C1 ZINC000647343795 392693136 /nfs/dbraw/zinc/69/31/36/392693136.db2.gz CEUSYBJLAAZBCK-JKEDJMADSA-N 2 1 284.447 3.110 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CCC2)C2CCCC2)CC[N@@H+]1C ZINC000647330360 392674955 /nfs/dbraw/zinc/67/49/55/392674955.db2.gz HRNWBMJUSTVNSV-COXVUDFISA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CCC2)C2CCCC2)CC[N@H+]1C ZINC000647330360 392674958 /nfs/dbraw/zinc/67/49/58/392674958.db2.gz HRNWBMJUSTVNSV-COXVUDFISA-N 2 1 264.457 3.418 20 0 CGADMP C(C1CC1)[N@@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000178971826 392685768 /nfs/dbraw/zinc/68/57/68/392685768.db2.gz BERICJNPDRCMKP-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000647344648 392694783 /nfs/dbraw/zinc/69/47/83/392694783.db2.gz WCEFOYAJYOZTCV-IPELMVKDSA-N 2 1 295.430 3.078 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000181274297 392725355 /nfs/dbraw/zinc/72/53/55/392725355.db2.gz QXGZSCJKRJWOHK-DZUCGIPZSA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000181274297 392725366 /nfs/dbraw/zinc/72/53/66/392725366.db2.gz QXGZSCJKRJWOHK-DZUCGIPZSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H]1CCCC[C@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482583 392736685 /nfs/dbraw/zinc/73/66/85/392736685.db2.gz QZZIPSRPAZHDFU-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP Fc1ccc(/C=C/C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482664 392736976 /nfs/dbraw/zinc/73/69/76/392736976.db2.gz XALCHKPEYBOLER-OWOJBTEDSA-N 2 1 274.383 3.055 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492604 542707759 /nfs/dbraw/zinc/70/77/59/542707759.db2.gz PKHYUTCUMUQEEA-SJLPKXTDSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492604 542707764 /nfs/dbraw/zinc/70/77/64/542707764.db2.gz PKHYUTCUMUQEEA-SJLPKXTDSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492604 542707767 /nfs/dbraw/zinc/70/77/67/542707767.db2.gz PKHYUTCUMUQEEA-SJLPKXTDSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H](C[NH2+]Cc1scnc1C1CC1)C[NH+]1CCCCC1 ZINC000486930904 542708888 /nfs/dbraw/zinc/70/88/88/542708888.db2.gz SDRULBXSXZWFFB-ZDUSSCGKSA-N 2 1 293.480 3.232 20 0 CGADMP Cc1ccc(C2([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)cc1 ZINC000647353250 392701833 /nfs/dbraw/zinc/70/18/33/392701833.db2.gz UZBFVUAPHLOUFS-RDJZCZTQSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)cc1 ZINC000647353250 392701840 /nfs/dbraw/zinc/70/18/40/392701840.db2.gz UZBFVUAPHLOUFS-RDJZCZTQSA-N 2 1 272.436 3.447 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000186115760 392778142 /nfs/dbraw/zinc/77/81/42/392778142.db2.gz WBTOMKCKPCHCLO-CHWSQXEVSA-N 2 1 282.453 3.139 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[NH+](C)C)CCS2 ZINC000186913478 392786233 /nfs/dbraw/zinc/78/62/33/392786233.db2.gz MLXCPCBCDLVLQO-HNNXBMFYSA-N 2 1 278.465 3.382 20 0 CGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187570068 392789421 /nfs/dbraw/zinc/78/94/21/392789421.db2.gz URNXTLOTUAFGTE-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000510279851 392793883 /nfs/dbraw/zinc/79/38/83/392793883.db2.gz DLCBLLYLVKPXAV-HNNXBMFYSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000510279851 392793890 /nfs/dbraw/zinc/79/38/90/392793890.db2.gz DLCBLLYLVKPXAV-HNNXBMFYSA-N 2 1 290.451 3.177 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]1CCCF)C1CCCC1 ZINC000510667327 392808889 /nfs/dbraw/zinc/80/88/89/392808889.db2.gz GULFSADKBXCJCS-GOEBONIOSA-N 2 1 270.436 3.369 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1CCCF)C1CCCC1 ZINC000510667327 392808899 /nfs/dbraw/zinc/80/88/99/392808899.db2.gz GULFSADKBXCJCS-GOEBONIOSA-N 2 1 270.436 3.369 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647884173 392825371 /nfs/dbraw/zinc/82/53/71/392825371.db2.gz XDTKWUHHTXTDQM-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647884173 392825378 /nfs/dbraw/zinc/82/53/78/392825378.db2.gz XDTKWUHHTXTDQM-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000647889321 392826366 /nfs/dbraw/zinc/82/63/66/392826366.db2.gz GAIHOTSIHKQTSI-QZTJIDSGSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@H]1CC[NH2+]C1 ZINC000647888058 392826994 /nfs/dbraw/zinc/82/69/94/392826994.db2.gz GIDSPSCKCYZFEI-WBVHZDCISA-N 2 1 272.436 3.459 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@H]21 ZINC000647907789 392830509 /nfs/dbraw/zinc/83/05/09/392830509.db2.gz VASHMXCKCOPZHU-VAMGGRTRSA-N 2 1 294.442 3.442 20 0 CGADMP CC[N@@H+](CCOc1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000647912904 392832213 /nfs/dbraw/zinc/83/22/13/392832213.db2.gz AOEZBTLMPUOJQK-QGZVFWFLSA-N 2 1 290.451 3.146 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC1CCCCC1 ZINC000647961387 392847485 /nfs/dbraw/zinc/84/74/85/392847485.db2.gz FPVQGXOBPZXJJG-ROUUACIJSA-N 2 1 296.499 3.122 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000647961387 392847491 /nfs/dbraw/zinc/84/74/91/392847491.db2.gz FPVQGXOBPZXJJG-ROUUACIJSA-N 2 1 296.499 3.122 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000647961387 392847497 /nfs/dbraw/zinc/84/74/97/392847497.db2.gz FPVQGXOBPZXJJG-ROUUACIJSA-N 2 1 296.499 3.122 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977845 392855795 /nfs/dbraw/zinc/85/57/95/392855795.db2.gz IYAMSUCTZYXZCV-KGLIPLIRSA-N 2 1 292.389 3.431 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000647992262 392860427 /nfs/dbraw/zinc/86/04/27/392860427.db2.gz YHMOCOFMCQMWPJ-IAQYHMDHSA-N 2 1 268.351 3.005 20 0 CGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192748980 392860848 /nfs/dbraw/zinc/86/08/48/392860848.db2.gz OBYOIRWXQKVGJJ-MIGBEJBISA-N 2 1 272.436 3.395 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516291258 392864209 /nfs/dbraw/zinc/86/42/09/392864209.db2.gz NUBZUQPQDWNBHW-IAGOWNOFSA-N 2 1 258.409 3.213 20 0 CGADMP CC[N@H+](CC[NH2+]C(C1CCC1)C1CCC1)C(C)C ZINC000338786660 392928372 /nfs/dbraw/zinc/92/83/72/392928372.db2.gz HQUUQPPGYLYLBQ-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+](CC[NH2+]C(C1CCC1)C1CCC1)C(C)C ZINC000338786660 392928377 /nfs/dbraw/zinc/92/83/77/392928377.db2.gz HQUUQPPGYLYLBQ-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459583589 392947427 /nfs/dbraw/zinc/94/74/27/392947427.db2.gz HFNJWGXDVXSOMP-HOTGVXAUSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340186685 392965749 /nfs/dbraw/zinc/96/57/49/392965749.db2.gz MYSSCLPTLZVYQV-RBUKOAKNSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340186685 392965756 /nfs/dbraw/zinc/96/57/56/392965756.db2.gz MYSSCLPTLZVYQV-RBUKOAKNSA-N 2 1 295.430 3.315 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340258798 392968777 /nfs/dbraw/zinc/96/87/77/392968777.db2.gz UWZJMWIQUUVADK-RCCFBDPRSA-N 2 1 290.451 3.083 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000340258798 392968779 /nfs/dbraw/zinc/96/87/79/392968779.db2.gz UWZJMWIQUUVADK-RCCFBDPRSA-N 2 1 290.451 3.083 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211366042 392985022 /nfs/dbraw/zinc/98/50/22/392985022.db2.gz UXGQINVLTQCWQZ-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648438452 393017663 /nfs/dbraw/zinc/01/76/63/393017663.db2.gz KCVZSXRKTPNROH-VQIMIIECSA-N 2 1 286.463 3.256 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648448187 393021918 /nfs/dbraw/zinc/02/19/18/393021918.db2.gz AJOGNJAEDWMITJ-ZACQAIPSSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648448187 393021926 /nfs/dbraw/zinc/02/19/26/393021926.db2.gz AJOGNJAEDWMITJ-ZACQAIPSSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000232762185 393027130 /nfs/dbraw/zinc/02/71/30/393027130.db2.gz IUIBRWAMQZVOSO-KRWDZBQOSA-N 2 1 260.425 3.384 20 0 CGADMP CCCC[C@H](CC)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000546934971 393084163 /nfs/dbraw/zinc/08/41/63/393084163.db2.gz GTRUWCUXYBJWSS-KRWDZBQOSA-N 2 1 297.531 3.161 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000346524495 393089758 /nfs/dbraw/zinc/08/97/58/393089758.db2.gz GHNVIENTBPQOQJ-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346819581 393096648 /nfs/dbraw/zinc/09/66/48/393096648.db2.gz HPKDLPHSKURJBV-GXTWGEPZSA-N 2 1 264.438 3.057 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415017650 393098164 /nfs/dbraw/zinc/09/81/64/393098164.db2.gz QISREIXJMUEUND-ZIAGYGMSSA-N 2 1 284.403 3.188 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H](C)CCc1ccccc1 ZINC000414856371 393056530 /nfs/dbraw/zinc/05/65/30/393056530.db2.gz YTFMOMRLICNHSQ-NVXWUHKLSA-N 2 1 262.441 3.218 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000414856370 393056754 /nfs/dbraw/zinc/05/67/54/393056754.db2.gz YTFMOMRLICNHSQ-DOTOQJQBSA-N 2 1 262.441 3.218 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414954031 393062521 /nfs/dbraw/zinc/06/25/21/393062521.db2.gz MLGWJCYRSLJYOC-HPBDAGMYSA-N 2 1 272.436 3.128 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415035655 393107036 /nfs/dbraw/zinc/10/70/36/393107036.db2.gz DZNQKYDYFVGARG-DOTOQJQBSA-N 2 1 276.399 3.098 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414980057 393077006 /nfs/dbraw/zinc/07/70/06/393077006.db2.gz OTPDHGNIKGOFNI-CYBMUJFWSA-N 2 1 278.396 3.381 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000415045286 393110675 /nfs/dbraw/zinc/11/06/75/393110675.db2.gz BJEONWBYXGJPHK-LBPRGKRZSA-N 2 1 290.329 3.048 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000415053648 393115657 /nfs/dbraw/zinc/11/56/57/393115657.db2.gz OYLVLOSCFWNXGE-AEFFLSMTSA-N 2 1 272.436 3.267 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415056613 393116566 /nfs/dbraw/zinc/11/65/66/393116566.db2.gz SRGFUSYECKQUQO-VJANTYMQSA-N 2 1 284.447 3.254 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1c(C)noc1C ZINC000348343511 393121287 /nfs/dbraw/zinc/12/12/87/393121287.db2.gz IRLCBMZPMVHCOM-HUUCEWRRSA-N 2 1 279.428 3.207 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1c(C)noc1C ZINC000348343511 393121297 /nfs/dbraw/zinc/12/12/97/393121297.db2.gz IRLCBMZPMVHCOM-HUUCEWRRSA-N 2 1 279.428 3.207 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415061530 393121751 /nfs/dbraw/zinc/12/17/51/393121751.db2.gz CVVJEOZGMUNUGA-YOEHRIQHSA-N 2 1 260.425 3.033 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415062701 393122177 /nfs/dbraw/zinc/12/21/77/393122177.db2.gz FUIPGHREUXPPHM-CXAGYDPISA-N 2 1 278.415 3.254 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415067050 393126937 /nfs/dbraw/zinc/12/69/37/393126937.db2.gz OVVLIJFOGGTAOI-DOMZBBRYSA-N 2 1 266.454 3.176 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000258919214 393137881 /nfs/dbraw/zinc/13/78/81/393137881.db2.gz FXIMUNOBUNBTIA-INIZCTEOSA-N 2 1 260.425 3.071 20 0 CGADMP CC(C)CCOc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415092359 393143616 /nfs/dbraw/zinc/14/36/16/393143616.db2.gz SUBNSLAJBYSNCH-KRWDZBQOSA-N 2 1 290.451 3.343 20 0 CGADMP CC(C)C[N@@H+](CCc1ccccc1)CC1CC[NH2+]CC1 ZINC000262252934 393144814 /nfs/dbraw/zinc/14/48/14/393144814.db2.gz QGDJMZBHYCKLBH-UHFFFAOYSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468555686 393153068 /nfs/dbraw/zinc/15/30/68/393153068.db2.gz SPDCOXDLAIHHMP-YCPHGPKFSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468555686 393153076 /nfs/dbraw/zinc/15/30/76/393153076.db2.gz SPDCOXDLAIHHMP-YCPHGPKFSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCC(F)(F)CC1 ZINC000353277940 393217874 /nfs/dbraw/zinc/21/78/74/393217874.db2.gz YJNVBWPLNWTQMA-QEJZJMRPSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCC(F)(F)CC1 ZINC000353277940 393217880 /nfs/dbraw/zinc/21/78/80/393217880.db2.gz YJNVBWPLNWTQMA-QEJZJMRPSA-N 2 1 286.410 3.417 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000353534838 393225817 /nfs/dbraw/zinc/22/58/17/393225817.db2.gz UVQALAZTEBBEDE-ZNMIVQPWSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nccc4ccccc43)C2)C1 ZINC000646243248 393245271 /nfs/dbraw/zinc/24/52/71/393245271.db2.gz LGBPHZOCERRPCE-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nccc4ccccc43)C2)C1 ZINC000646243248 393245279 /nfs/dbraw/zinc/24/52/79/393245279.db2.gz LGBPHZOCERRPCE-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nccc4ccccc43)C2)C1 ZINC000646243248 393245286 /nfs/dbraw/zinc/24/52/86/393245286.db2.gz LGBPHZOCERRPCE-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(C)ccc23)[C@H](C)C1 ZINC000268822699 393204391 /nfs/dbraw/zinc/20/43/91/393204391.db2.gz PVBWXEHKKYIVOZ-QAPCUYQASA-N 2 1 299.462 3.339 20 0 CGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000648816823 393260941 /nfs/dbraw/zinc/26/09/41/393260941.db2.gz KYSYGFIFKJNPJB-UONOGXRCSA-N 2 1 294.826 3.065 20 0 CGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000648816823 393260946 /nfs/dbraw/zinc/26/09/46/393260946.db2.gz KYSYGFIFKJNPJB-UONOGXRCSA-N 2 1 294.826 3.065 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000474810905 393350070 /nfs/dbraw/zinc/35/00/70/393350070.db2.gz PUJQLRQVFXSHQE-BZSNNMDCSA-N 2 1 294.483 3.046 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000474810905 393350072 /nfs/dbraw/zinc/35/00/72/393350072.db2.gz PUJQLRQVFXSHQE-BZSNNMDCSA-N 2 1 294.483 3.046 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000474810907 393350432 /nfs/dbraw/zinc/35/04/32/393350432.db2.gz PUJQLRQVFXSHQE-KSZLIROESA-N 2 1 294.483 3.046 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000474810907 393350437 /nfs/dbraw/zinc/35/04/37/393350437.db2.gz PUJQLRQVFXSHQE-KSZLIROESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000480660665 393435628 /nfs/dbraw/zinc/43/56/28/393435628.db2.gz GLWRQMGFSJHGMP-YOEHRIQHSA-N 2 1 260.425 3.240 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)cc1Cl ZINC000420284104 393450331 /nfs/dbraw/zinc/45/03/31/393450331.db2.gz CNGMIWFPDJMDKT-MRXNPFEDSA-N 2 1 296.842 3.344 20 0 CGADMP CCOc1ccc(CCC2CC[NH+](C[C@@H](C)[NH3+])CC2)cc1 ZINC000420295899 393452913 /nfs/dbraw/zinc/45/29/13/393452913.db2.gz BCURWEPOJCIHTR-OAHLLOKOSA-N 2 1 290.451 3.077 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420298100 393453839 /nfs/dbraw/zinc/45/38/39/393453839.db2.gz GSLHKKKCZIKGDK-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(F)c1 ZINC000420301774 393454991 /nfs/dbraw/zinc/45/49/91/393454991.db2.gz JDBOGGQSXATCJP-AWEZNQCLSA-N 2 1 264.388 3.036 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420301739 393455101 /nfs/dbraw/zinc/45/51/01/393455101.db2.gz JARAWISWOUQGQQ-KBXCAEBGSA-N 2 1 270.420 3.138 20 0 CGADMP Fc1ccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420304258 393457652 /nfs/dbraw/zinc/45/76/52/393457652.db2.gz LJZHHPUWYQVBAT-FUHWJXTLSA-N 2 1 290.426 3.222 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2C(C)(C)C)cc1 ZINC000420312742 393461067 /nfs/dbraw/zinc/46/10/67/393461067.db2.gz XDAQMIKSKIAYNQ-DOTOQJQBSA-N 2 1 290.451 3.248 20 0 CGADMP Fc1ccc(C[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420314654 393461972 /nfs/dbraw/zinc/46/19/72/393461972.db2.gz ZGYXHMOKQMEEPY-IRXDYDNUSA-N 2 1 290.426 3.080 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C2CCCCC2)cc1 ZINC000420317146 393463537 /nfs/dbraw/zinc/46/35/37/393463537.db2.gz NJNYIISSKAZFFK-HNNXBMFYSA-N 2 1 276.424 3.002 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420317802 393463589 /nfs/dbraw/zinc/46/35/89/393463589.db2.gz OAFNKXKYGHXWBN-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CCCCC1 ZINC000420319346 393463675 /nfs/dbraw/zinc/46/36/75/393463675.db2.gz PGSFGSFAVUKJFX-MRXNPFEDSA-N 2 1 290.451 3.392 20 0 CGADMP CCc1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420324008 393468547 /nfs/dbraw/zinc/46/85/47/393468547.db2.gz UWUAVIZJQNREMA-INIZCTEOSA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccc2ccccc2c1 ZINC000420369193 393476585 /nfs/dbraw/zinc/47/65/85/393476585.db2.gz URYRDZYDZGIHSD-QGZVFWFLSA-N 2 1 286.419 3.182 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCOc2ccccc2)CC1 ZINC000429553389 393478005 /nfs/dbraw/zinc/47/80/05/393478005.db2.gz NTEFBBQHVMOERM-QGZVFWFLSA-N 2 1 290.451 3.262 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCSc1ccccc1)C1CCCCC1 ZINC000420377388 393478560 /nfs/dbraw/zinc/47/85/60/393478560.db2.gz WFWOHVZQLAGUPT-MRXNPFEDSA-N 2 1 278.465 3.276 20 0 CGADMP CC(C)C1CC([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000488431019 393510993 /nfs/dbraw/zinc/51/09/93/393510993.db2.gz FRHNFJHKVZJZQD-WXLSXGNJSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000488431019 393510996 /nfs/dbraw/zinc/51/09/96/393510996.db2.gz FRHNFJHKVZJZQD-WXLSXGNJSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000488438174 393512851 /nfs/dbraw/zinc/51/28/51/393512851.db2.gz FUTVCJKZSSLMFM-QRNKSROTSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000488438174 393512859 /nfs/dbraw/zinc/51/28/59/393512859.db2.gz FUTVCJKZSSLMFM-QRNKSROTSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CCCC1 ZINC000488448780 393518045 /nfs/dbraw/zinc/51/80/45/393518045.db2.gz NWXCMABLXNNTKC-UONOGXRCSA-N 2 1 284.513 3.371 20 0 CGADMP CC1=C[C@@H](C)C[NH+](CCC[N@H+]2CC(C)=C[C@@H](C)C2)C1 ZINC000430261885 393552151 /nfs/dbraw/zinc/55/21/51/393552151.db2.gz KLEKKXGWDYXVMA-GDBMZVCRSA-N 2 1 262.441 3.173 20 0 CGADMP CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000657491399 542795500 /nfs/dbraw/zinc/79/55/00/542795500.db2.gz FFGXRYWCDLASLC-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP Cc1ccc2oc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC000666762126 542813473 /nfs/dbraw/zinc/81/34/73/542813473.db2.gz VGHQSGGURCQAKS-YIONKMFJSA-N 2 1 270.376 3.114 20 0 CGADMP Clc1ccc(Cl)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666856521 542820925 /nfs/dbraw/zinc/82/09/25/542820925.db2.gz NHQFYXGBPIPWGX-GFCCVEGCSA-N 2 1 273.207 3.225 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000432368293 393606575 /nfs/dbraw/zinc/60/65/75/393606575.db2.gz PKDQGVUBNODTLP-KZNAEPCWSA-N 2 1 296.499 3.293 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000430627779 393582521 /nfs/dbraw/zinc/58/25/21/393582521.db2.gz NKWMNMBQHJPHQJ-INIZCTEOSA-N 2 1 298.430 3.279 20 0 CGADMP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000432424546 393613008 /nfs/dbraw/zinc/61/30/08/393613008.db2.gz JMXUGRVPROCOMY-GMRIPVOYSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000360947926 393621688 /nfs/dbraw/zinc/62/16/88/393621688.db2.gz OSDCRMCYNFZPII-GOSISDBHSA-N 2 1 285.435 3.439 20 0 CGADMP C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422827966 393644749 /nfs/dbraw/zinc/64/47/49/393644749.db2.gz AHFYZOZGYMNODQ-IAOVAPTHSA-N 2 1 290.476 3.137 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422958574 393647204 /nfs/dbraw/zinc/64/72/04/393647204.db2.gz PNRJBRFCIGBHEW-BSWAZPDLSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cnn1C(C)C ZINC000423268224 393657658 /nfs/dbraw/zinc/65/76/58/393657658.db2.gz UMQWXJOKSKCBRW-CXAGYDPISA-N 2 1 292.471 3.331 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423323043 393661301 /nfs/dbraw/zinc/66/13/01/393661301.db2.gz JHJVQRMEOASJCZ-ZWNOBZJWSA-N 2 1 274.330 3.339 20 0 CGADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000423342268 393662566 /nfs/dbraw/zinc/66/25/66/393662566.db2.gz YTVGFFDUKFDGFO-UKRRQHHQSA-N 2 1 274.433 3.277 20 0 CGADMP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361143576 393684384 /nfs/dbraw/zinc/68/43/84/393684384.db2.gz VNLWETOAGBQJQC-CXAGYDPISA-N 2 1 284.407 3.196 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423529573 393671296 /nfs/dbraw/zinc/67/12/96/393671296.db2.gz OPYHEGLOTLWSEE-WCQYABFASA-N 2 1 252.427 3.225 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000435380032 393714708 /nfs/dbraw/zinc/71/47/08/393714708.db2.gz PEYWFJNPKANZRP-RHSMWYFYSA-N 2 1 260.425 3.022 20 0 CGADMP CCc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000443676845 393770424 /nfs/dbraw/zinc/77/04/24/393770424.db2.gz VPEWKMFDJKEEOZ-JKSUJKDBSA-N 2 1 295.430 3.258 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC2CCOCC2)[C@@H](C)C1 ZINC000499547222 393800308 /nfs/dbraw/zinc/80/03/08/393800308.db2.gz HQUHNMQATZOZPL-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC2CCOCC2)[C@@H](C)C1 ZINC000499547222 393800313 /nfs/dbraw/zinc/80/03/13/393800313.db2.gz HQUHNMQATZOZPL-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502868554 393885690 /nfs/dbraw/zinc/88/56/90/393885690.db2.gz UAGZMRBMSDRIQV-QRQLOZEOSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000502868554 393885694 /nfs/dbraw/zinc/88/56/94/393885694.db2.gz UAGZMRBMSDRIQV-QRQLOZEOSA-N 2 1 286.463 3.424 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC(C)(C)C1 ZINC000446072014 393845993 /nfs/dbraw/zinc/84/59/93/393845993.db2.gz KZSRNPYUBXZNBB-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC(C)(C)C1 ZINC000446072014 393845999 /nfs/dbraw/zinc/84/59/99/393845999.db2.gz KZSRNPYUBXZNBB-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996865 542833425 /nfs/dbraw/zinc/83/34/25/542833425.db2.gz JJDVAVOLFAEPSL-CYBMUJFWSA-N 2 1 291.464 3.175 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000453068431 394160625 /nfs/dbraw/zinc/16/06/25/394160625.db2.gz AHGPSCWYNMANBN-RDJZCZTQSA-N 2 1 275.440 3.387 20 0 CGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccncc1 ZINC000453110419 394174404 /nfs/dbraw/zinc/17/44/04/394174404.db2.gz AZNSCJFFSBODTI-MRXNPFEDSA-N 2 1 272.396 3.108 20 0 CGADMP COCC[C@H]1CCC[C@H]1[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000453247724 394218766 /nfs/dbraw/zinc/21/87/66/394218766.db2.gz FAGQALSEVWWNHF-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cn1 ZINC000453407098 394236797 /nfs/dbraw/zinc/23/67/97/394236797.db2.gz RUDNJZHKYUOGHS-GFCCVEGCSA-N 2 1 281.831 3.260 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000453451693 394247121 /nfs/dbraw/zinc/24/71/21/394247121.db2.gz RQNAYYKPNCGFGZ-FXUDXRNXSA-N 2 1 250.430 3.028 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)C1=CCCC1 ZINC000453577265 394250046 /nfs/dbraw/zinc/25/00/46/394250046.db2.gz HFRMHKUNCWZICC-UHFFFAOYSA-N 2 1 273.424 3.374 20 0 CGADMP C[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)Cc1ccccc1 ZINC000453600243 394254167 /nfs/dbraw/zinc/25/41/67/394254167.db2.gz SAYYOCHUBUZQJM-MRXNPFEDSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2cnc3n2CCC3)c1 ZINC000667503732 542879949 /nfs/dbraw/zinc/87/99/49/542879949.db2.gz VXGAXRPDCCBXGJ-QGZVFWFLSA-N 2 1 281.403 3.475 20 0 CGADMP C[C@H]([N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C(C)(C)C ZINC000667518278 542882887 /nfs/dbraw/zinc/88/28/87/542882887.db2.gz VSINXWVFLSUOMQ-ZDUSSCGKSA-N 2 1 272.396 3.134 20 0 CGADMP c1cn([C@H]2CCC[N@H+](Cc3cc4ccncc4s3)C2)cn1 ZINC000667587510 542894270 /nfs/dbraw/zinc/89/42/70/542894270.db2.gz VGOMOYNWGLMBOD-AWEZNQCLSA-N 2 1 298.415 3.330 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000667773749 542927724 /nfs/dbraw/zinc/92/77/24/542927724.db2.gz QDJQXAFRHKAIIK-NEWSRXKRSA-N 2 1 284.447 3.213 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000667773749 542927727 /nfs/dbraw/zinc/92/77/27/542927727.db2.gz QDJQXAFRHKAIIK-NEWSRXKRSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccnn1-c1ccncc1 ZINC000668063932 542964191 /nfs/dbraw/zinc/96/41/91/542964191.db2.gz AHQQBYNOUIGFDV-CQSZACIVSA-N 2 1 282.391 3.032 20 0 CGADMP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668063932 542964198 /nfs/dbraw/zinc/96/41/98/542964198.db2.gz AHQQBYNOUIGFDV-CQSZACIVSA-N 2 1 282.391 3.032 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)[nH]c2c1 ZINC000668188697 542985122 /nfs/dbraw/zinc/98/51/22/542985122.db2.gz LZRYDGSUWJZQPS-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)[nH]c2c1 ZINC000668188697 542985126 /nfs/dbraw/zinc/98/51/26/542985126.db2.gz LZRYDGSUWJZQPS-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)[nH]c2c1 ZINC000668188697 542985128 /nfs/dbraw/zinc/98/51/28/542985128.db2.gz LZRYDGSUWJZQPS-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)[nH]c2c1 ZINC000668188697 542985133 /nfs/dbraw/zinc/98/51/33/542985133.db2.gz LZRYDGSUWJZQPS-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]c(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc21 ZINC000668194885 542986208 /nfs/dbraw/zinc/98/62/08/542986208.db2.gz RTVHNECGSNTNQU-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]c(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc21 ZINC000668194885 542986211 /nfs/dbraw/zinc/98/62/11/542986211.db2.gz RTVHNECGSNTNQU-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc21 ZINC000668194885 542986213 /nfs/dbraw/zinc/98/62/13/542986213.db2.gz RTVHNECGSNTNQU-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc21 ZINC000668194885 542986215 /nfs/dbraw/zinc/98/62/15/542986215.db2.gz RTVHNECGSNTNQU-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(C)c1 ZINC000668172772 542980815 /nfs/dbraw/zinc/98/08/15/542980815.db2.gz SWZRRPGXOLQPCV-MAUKXSAKSA-N 2 1 290.451 3.166 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(C)c1 ZINC000668172772 542980818 /nfs/dbraw/zinc/98/08/18/542980818.db2.gz SWZRRPGXOLQPCV-MAUKXSAKSA-N 2 1 290.451 3.166 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172772 542980823 /nfs/dbraw/zinc/98/08/23/542980823.db2.gz SWZRRPGXOLQPCV-MAUKXSAKSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccncc2s1 ZINC000668172418 542981092 /nfs/dbraw/zinc/98/10/92/542981092.db2.gz NGGBKFIHKWWPJW-DOMZBBRYSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccncc2s1 ZINC000668172418 542981095 /nfs/dbraw/zinc/98/10/95/542981095.db2.gz NGGBKFIHKWWPJW-DOMZBBRYSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2ccncc2s1 ZINC000668172418 542981096 /nfs/dbraw/zinc/98/10/96/542981096.db2.gz NGGBKFIHKWWPJW-DOMZBBRYSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2ccncc2s1 ZINC000668172418 542981098 /nfs/dbraw/zinc/98/10/98/542981098.db2.gz NGGBKFIHKWWPJW-DOMZBBRYSA-N 2 1 289.448 3.068 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCc1ccc(C)nc1 ZINC000668747588 543054908 /nfs/dbraw/zinc/05/49/08/543054908.db2.gz ICIAISRRFFEUDR-UHFFFAOYSA-N 2 1 277.456 3.033 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCc1ccc(C)nc1 ZINC000668747588 543054913 /nfs/dbraw/zinc/05/49/13/543054913.db2.gz ICIAISRRFFEUDR-UHFFFAOYSA-N 2 1 277.456 3.033 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC1(C)C ZINC000669419995 543104543 /nfs/dbraw/zinc/10/45/43/543104543.db2.gz ABGJVDPQELCSAT-RDBSUJKOSA-N 2 1 261.413 3.002 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC000670264916 543146662 /nfs/dbraw/zinc/14/66/62/543146662.db2.gz RAUWGTDDRRZWNM-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@H]1C(C)C)[NH+]1CCCC1 ZINC000671740319 543184481 /nfs/dbraw/zinc/18/44/81/543184481.db2.gz KGQWJNLZQBUSAB-HRCADAONSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000671755123 543186626 /nfs/dbraw/zinc/18/66/26/543186626.db2.gz OFGSWDMQRRDYMT-FHWLQOOXSA-N 2 1 298.474 3.254 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCc2ccc(F)cc21 ZINC000649894856 397747104 /nfs/dbraw/zinc/74/71/04/397747104.db2.gz WOIWOXYSDVKJIV-YOEHRIQHSA-N 2 1 290.426 3.272 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCc2ccc(F)cc21 ZINC000649894856 397747109 /nfs/dbraw/zinc/74/71/09/397747109.db2.gz WOIWOXYSDVKJIV-YOEHRIQHSA-N 2 1 290.426 3.272 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCc2ccc(F)cc21 ZINC000649894856 397747113 /nfs/dbraw/zinc/74/71/13/397747113.db2.gz WOIWOXYSDVKJIV-YOEHRIQHSA-N 2 1 290.426 3.272 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000650710116 397898021 /nfs/dbraw/zinc/89/80/21/397898021.db2.gz FAIWDABDNYYBCY-IRXDYDNUSA-N 3 1 295.515 3.009 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cscc2Cl)[C@H]1CC[NH3+] ZINC000650711561 397898920 /nfs/dbraw/zinc/89/89/20/397898920.db2.gz XJMYGYZUGQSVAV-GWCFXTLKSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cscc2Cl)[C@H]1CC[NH3+] ZINC000650711561 397898921 /nfs/dbraw/zinc/89/89/21/397898921.db2.gz XJMYGYZUGQSVAV-GWCFXTLKSA-N 2 1 272.845 3.351 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)o1 ZINC000650753851 397909107 /nfs/dbraw/zinc/90/91/07/397909107.db2.gz WLEALHMODCYEPI-LLVKDONJSA-N 2 1 276.355 3.345 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675783686 543364760 /nfs/dbraw/zinc/36/47/60/543364760.db2.gz PTADDZNTHUOHTG-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000675883207 543370178 /nfs/dbraw/zinc/37/01/78/543370178.db2.gz XZGSVXVDSYCHGD-BBRMVZONSA-N 2 1 294.464 3.042 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000676901210 543423412 /nfs/dbraw/zinc/42/34/12/543423412.db2.gz UERQBKMQAPJJGC-XHSDSOJGSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677131269 543435399 /nfs/dbraw/zinc/43/53/99/543435399.db2.gz XZJCCHKCMFPDCD-MRXNPFEDSA-N 2 1 291.345 3.137 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000677475027 543450701 /nfs/dbraw/zinc/45/07/01/543450701.db2.gz KWKRYEGRGNLLAF-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC(C)(C)C2)cc1 ZINC000678184869 543492184 /nfs/dbraw/zinc/49/21/84/543492184.db2.gz UYOBJSDMBFWBPM-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC000678278178 543509583 /nfs/dbraw/zinc/50/95/83/543509583.db2.gz NUEDWFLJNDVZBK-YOEHRIQHSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000678278178 543509584 /nfs/dbraw/zinc/50/95/84/543509584.db2.gz NUEDWFLJNDVZBK-YOEHRIQHSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2C2CC2)CC[NH+]1C ZINC000678278178 543509588 /nfs/dbraw/zinc/50/95/88/543509588.db2.gz NUEDWFLJNDVZBK-YOEHRIQHSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)CC[NH+]1C ZINC000678278178 543509590 /nfs/dbraw/zinc/50/95/90/543509590.db2.gz NUEDWFLJNDVZBK-YOEHRIQHSA-N 2 1 272.436 3.479 20 0 CGADMP CC[C@]1(C)CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678285513 543511123 /nfs/dbraw/zinc/51/11/23/543511123.db2.gz JYKIZCVKIMUZOT-GOSISDBHSA-N 2 1 290.451 3.249 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000678414250 543522740 /nfs/dbraw/zinc/52/27/40/543522740.db2.gz ROTYYEHLPKAFPF-HNNXBMFYSA-N 2 1 287.451 3.223 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CCOCC1 ZINC000366632577 287038320 /nfs/dbraw/zinc/03/83/20/287038320.db2.gz IJWSZCSXVHLFAB-CRAIPNDOSA-N 2 1 294.483 3.188 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080506491 165157430 /nfs/dbraw/zinc/15/74/30/165157430.db2.gz KLDYPRKUSDLEAL-UHFFFAOYSA-N 2 1 290.451 3.078 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1F ZINC000093496102 165331894 /nfs/dbraw/zinc/33/18/94/165331894.db2.gz OMFVABVGTURHQT-ZFWWWQNUSA-N 2 1 264.388 3.226 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000093861298 165337592 /nfs/dbraw/zinc/33/75/92/165337592.db2.gz BODARJIGRMETBL-UHFFFAOYSA-N 2 1 275.223 3.410 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@@H]1[NH3+] ZINC000094338907 165349476 /nfs/dbraw/zinc/34/94/76/165349476.db2.gz XNGHVLRPDLMGCD-RISCZKNCSA-N 2 1 260.406 3.070 20 0 CGADMP Cc1cscc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000094877890 165395022 /nfs/dbraw/zinc/39/50/22/165395022.db2.gz BCKPOMBYOFCJGG-UHFFFAOYSA-N 2 1 252.427 3.019 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000093693402 287118913 /nfs/dbraw/zinc/11/89/13/287118913.db2.gz JMCJBGDJFHOONA-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000093693402 287118915 /nfs/dbraw/zinc/11/89/15/287118915.db2.gz JMCJBGDJFHOONA-OAHLLOKOSA-N 2 1 278.415 3.298 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420380432 287119775 /nfs/dbraw/zinc/11/97/75/287119775.db2.gz WQZGNZLTZCQFLQ-CWRNSKLLSA-N 2 1 276.424 3.000 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccoc1)C[NH+]1CCCCC1 ZINC000094869104 287123446 /nfs/dbraw/zinc/12/34/46/287123446.db2.gz MLUFDKQVLZSEFP-KBPBESRZSA-N 2 1 250.386 3.052 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763629 287136996 /nfs/dbraw/zinc/13/69/96/287136996.db2.gz OZWVZDMFOUNTFJ-OAHLLOKOSA-N 2 1 283.419 3.055 20 0 CGADMP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000123421217 287220037 /nfs/dbraw/zinc/22/00/37/287220037.db2.gz OLNAUFQXWQZDJA-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000284218031 196006645 /nfs/dbraw/zinc/00/66/45/196006645.db2.gz TXEHUOXULBBHGF-INIZCTEOSA-N 2 1 276.424 3.090 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000284218031 196006646 /nfs/dbraw/zinc/00/66/46/196006646.db2.gz TXEHUOXULBBHGF-INIZCTEOSA-N 2 1 276.424 3.090 20 0 CGADMP CC[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](CC)C2)C1 ZINC000125283614 287242204 /nfs/dbraw/zinc/24/22/04/287242204.db2.gz JCCMIFBRUGNWON-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCCC1 ZINC000125538650 287246600 /nfs/dbraw/zinc/24/66/00/287246600.db2.gz OIPHTDQJHDJKFQ-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000035053256 171954076 /nfs/dbraw/zinc/95/40/76/171954076.db2.gz FUSUNTPQKZDFNW-QGZVFWFLSA-N 2 1 258.409 3.212 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000037267141 173077073 /nfs/dbraw/zinc/07/70/73/173077073.db2.gz AZNQHSVBVRNLLQ-HNNXBMFYSA-N 2 1 266.816 3.475 20 0 CGADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000037329301 173130632 /nfs/dbraw/zinc/13/06/32/173130632.db2.gz GNVXKLWIGVJFQS-AWEZNQCLSA-N 2 1 294.414 3.188 20 0 CGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000037329301 173130636 /nfs/dbraw/zinc/13/06/36/173130636.db2.gz GNVXKLWIGVJFQS-AWEZNQCLSA-N 2 1 294.414 3.188 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000285766724 196392064 /nfs/dbraw/zinc/39/20/64/196392064.db2.gz SZVKQKVSNHQITM-IAGOWNOFSA-N 2 1 290.476 3.266 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640018 174363832 /nfs/dbraw/zinc/36/38/32/174363832.db2.gz LMJSUEOCDLNMQT-UHFFFAOYSA-N 2 1 278.440 3.295 20 0 CGADMP C[C@H](CC1CC1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000128639958 287315379 /nfs/dbraw/zinc/31/53/79/287315379.db2.gz DFYAEHWOPJYFAI-OAHLLOKOSA-N 2 1 260.425 3.287 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)s1 ZINC000049687865 416473741 /nfs/dbraw/zinc/47/37/41/416473741.db2.gz KQVROAQSDDTMJV-ZBFHGGJFSA-N 2 1 278.465 3.329 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000312756731 416533564 /nfs/dbraw/zinc/53/35/64/416533564.db2.gz XWCWEUSCOTXYRY-NJAFHUGGSA-N 2 1 272.436 3.241 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404343490 416551347 /nfs/dbraw/zinc/55/13/47/416551347.db2.gz GAFHRGNKGSFILH-XJKSGUPXSA-N 2 1 278.465 3.358 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])ccc2n1 ZINC000404329497 416552238 /nfs/dbraw/zinc/55/22/38/416552238.db2.gz YBTOOVFMZXTBDF-LIRRHRJNSA-N 2 1 297.446 3.493 20 0 CGADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCc2ccccc21 ZINC000404885948 416558377 /nfs/dbraw/zinc/55/83/77/416558377.db2.gz INUTUHXFBUJIPT-HNNXBMFYSA-N 2 1 272.436 3.038 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000133354596 416517126 /nfs/dbraw/zinc/51/71/26/416517126.db2.gz DZAYTVCYIUDAMQ-AWEZNQCLSA-N 2 1 254.443 3.116 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000129517527 287333984 /nfs/dbraw/zinc/33/39/84/287333984.db2.gz ZMTAQWDAJXOMGI-UKPHBRMFSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000129517527 287333987 /nfs/dbraw/zinc/33/39/87/287333987.db2.gz ZMTAQWDAJXOMGI-UKPHBRMFSA-N 2 1 258.409 3.136 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3cnccc32)CC1 ZINC000679982383 543671669 /nfs/dbraw/zinc/67/16/69/543671669.db2.gz QUVZFGALLBDXKW-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3cnccc32)CC1 ZINC000679982383 543671670 /nfs/dbraw/zinc/67/16/70/543671670.db2.gz QUVZFGALLBDXKW-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP C[C@@H]1C[C@H](NCc2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000130448768 287355964 /nfs/dbraw/zinc/35/59/64/287355964.db2.gz FXWPUDHEJJAVHR-PWSUYJOCSA-N 2 1 282.790 3.194 20 0 CGADMP C[C@@H]1C[C@H](NCc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000130448768 287355965 /nfs/dbraw/zinc/35/59/65/287355965.db2.gz FXWPUDHEJJAVHR-PWSUYJOCSA-N 2 1 282.790 3.194 20 0 CGADMP CC(C)OCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000680485429 543714341 /nfs/dbraw/zinc/71/43/41/543714341.db2.gz HJISGJSFXPDFHJ-UHFFFAOYSA-N 2 1 292.467 3.159 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000130566904 287358192 /nfs/dbraw/zinc/35/81/92/287358192.db2.gz JMRREZWSVLPALW-JYJNAYRXSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000682243953 543836337 /nfs/dbraw/zinc/83/63/37/543836337.db2.gz NPOBYYCVOLMGLU-CQSZACIVSA-N 2 1 299.418 3.109 20 0 CGADMP FC(F)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000131358930 287377144 /nfs/dbraw/zinc/37/71/44/287377144.db2.gz XUJVQQYFJROSJB-ZDUSSCGKSA-N 2 1 280.362 3.198 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000131541911 287383160 /nfs/dbraw/zinc/38/31/60/287383160.db2.gz WVSVKUSZQPGDBT-NWDGAFQWSA-N 2 1 266.454 3.357 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000131541911 287383165 /nfs/dbraw/zinc/38/31/65/287383165.db2.gz WVSVKUSZQPGDBT-NWDGAFQWSA-N 2 1 266.454 3.357 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000683141747 543898957 /nfs/dbraw/zinc/89/89/57/543898957.db2.gz NVNQZGRDDFWJIR-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000683141747 543898958 /nfs/dbraw/zinc/89/89/58/543898958.db2.gz NVNQZGRDDFWJIR-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP CC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000683767033 543940088 /nfs/dbraw/zinc/94/00/88/543940088.db2.gz FYNCJCKATSKUHD-QGZVFWFLSA-N 2 1 272.436 3.288 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CCN3CCC2CC3)C1 ZINC000685458587 544073236 /nfs/dbraw/zinc/07/32/36/544073236.db2.gz YEXVYKSTDWFAKM-RBUKOAKNSA-N 2 1 284.447 3.277 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1C1CC1 ZINC000685470467 544077226 /nfs/dbraw/zinc/07/72/26/544077226.db2.gz SSFVRIKGMXLRIO-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1C1CC1 ZINC000685470467 544077228 /nfs/dbraw/zinc/07/72/28/544077228.db2.gz SSFVRIKGMXLRIO-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1C1CC1 ZINC000685470467 544077230 /nfs/dbraw/zinc/07/72/30/544077230.db2.gz SSFVRIKGMXLRIO-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1C1CC1 ZINC000685470467 544077232 /nfs/dbraw/zinc/07/72/32/544077232.db2.gz SSFVRIKGMXLRIO-KDOFPFPSSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684955682 544044170 /nfs/dbraw/zinc/04/41/70/544044170.db2.gz SMWWUARLMASVDY-RDJZCZTQSA-N 2 1 287.451 3.169 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000684955682 544044172 /nfs/dbraw/zinc/04/41/72/544044172.db2.gz SMWWUARLMASVDY-RDJZCZTQSA-N 2 1 287.451 3.169 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000685666063 544094119 /nfs/dbraw/zinc/09/41/19/544094119.db2.gz QVIASFADZJAORC-BMFZPTHFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000685666063 544094120 /nfs/dbraw/zinc/09/41/20/544094120.db2.gz QVIASFADZJAORC-BMFZPTHFSA-N 2 1 252.446 3.275 20 0 CGADMP CCn1cncc1CNc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000417971796 227299318 /nfs/dbraw/zinc/29/93/18/227299318.db2.gz STUDHFVFFDHGKB-UHFFFAOYSA-N 2 1 298.434 3.152 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000352834922 227309761 /nfs/dbraw/zinc/30/97/61/227309761.db2.gz MGSOBHOTYTXJMH-QRTARXTBSA-N 2 1 275.440 3.410 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000352834920 227311139 /nfs/dbraw/zinc/31/11/39/227311139.db2.gz MGSOBHOTYTXJMH-JLJPHGGASA-N 2 1 275.440 3.410 20 0 CGADMP CC[N@@H+](CCCN[C@@H]1CC[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000650741904 418935998 /nfs/dbraw/zinc/93/59/98/418935998.db2.gz NUUSQHODZMTDBX-SJLPKXTDSA-N 2 1 295.515 3.009 20 0 CGADMP CC[N@H+](CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000650741904 418936000 /nfs/dbraw/zinc/93/60/00/418936000.db2.gz NUUSQHODZMTDBX-SJLPKXTDSA-N 3 1 295.515 3.009 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000650741904 418936004 /nfs/dbraw/zinc/93/60/04/418936004.db2.gz NUUSQHODZMTDBX-SJLPKXTDSA-N 3 1 295.515 3.009 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652364340 418958304 /nfs/dbraw/zinc/95/83/04/418958304.db2.gz IMEDMYHYHXZZKP-LSDHHAIUSA-N 2 1 290.426 3.177 20 0 CGADMP C[NH+](CC1CC=CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659972409 419049683 /nfs/dbraw/zinc/04/96/83/419049683.db2.gz UMFCUKQQJCJYJY-LJQANCHMSA-N 2 1 284.447 3.407 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000659859658 419017358 /nfs/dbraw/zinc/01/73/58/419017358.db2.gz LTTMRMJXRCITEA-MSOLQXFVSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000659859658 419017361 /nfs/dbraw/zinc/01/73/61/419017361.db2.gz LTTMRMJXRCITEA-MSOLQXFVSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659859658 419017367 /nfs/dbraw/zinc/01/73/67/419017367.db2.gz LTTMRMJXRCITEA-MSOLQXFVSA-N 2 1 292.467 3.161 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(C)(C)C2CC2)CC[N@@H+]1C ZINC000653564872 419049928 /nfs/dbraw/zinc/04/99/28/419049928.db2.gz PUYDGBXXVFROHF-HIFRSBDPSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(C)(C)C2CC2)CC[N@H+]1C ZINC000653564872 419049930 /nfs/dbraw/zinc/04/99/30/419049930.db2.gz PUYDGBXXVFROHF-HIFRSBDPSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(C)(C)C2CC2)CC[NH+]1C ZINC000653564872 419049935 /nfs/dbraw/zinc/04/99/35/419049935.db2.gz PUYDGBXXVFROHF-HIFRSBDPSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C2CC2)CC[NH+]1C ZINC000653564872 419049938 /nfs/dbraw/zinc/04/99/38/419049938.db2.gz PUYDGBXXVFROHF-HIFRSBDPSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659928250 419036325 /nfs/dbraw/zinc/03/63/25/419036325.db2.gz KLODGTFTKPBKOT-IKGGRYGDSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659928250 419036329 /nfs/dbraw/zinc/03/63/29/419036329.db2.gz KLODGTFTKPBKOT-IKGGRYGDSA-N 2 1 294.483 3.140 20 0 CGADMP Clc1cccc([C@H]2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)c1 ZINC000665241647 419089186 /nfs/dbraw/zinc/08/91/86/419089186.db2.gz VDLLKWIJWFWHNV-IMJJTQAJSA-N 2 1 278.827 3.318 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000665248775 419091826 /nfs/dbraw/zinc/09/18/26/419091826.db2.gz CCIMOSULCRQNHA-CYBMUJFWSA-N 2 1 262.397 3.154 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773147 419093543 /nfs/dbraw/zinc/09/35/43/419093543.db2.gz SIFSDCOLJFSDJZ-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](CC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254796 419093770 /nfs/dbraw/zinc/09/37/70/419093770.db2.gz ZXXIXLQWLVOVLZ-JCURWCKSSA-N 2 1 276.399 3.049 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCC2 ZINC000665277455 419100083 /nfs/dbraw/zinc/10/00/83/419100083.db2.gz BSZWPHKJDUJXHB-PTXATLKXSA-N 2 1 290.838 3.449 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000665297392 419111068 /nfs/dbraw/zinc/11/10/68/419111068.db2.gz FETCFITYKIOEPQ-VPOLOUISSA-N 2 1 272.845 3.091 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000659983631 419051927 /nfs/dbraw/zinc/05/19/27/419051927.db2.gz RMENURVUWNVEMJ-JHJVBQTASA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000659983631 419051930 /nfs/dbraw/zinc/05/19/30/419051930.db2.gz RMENURVUWNVEMJ-JHJVBQTASA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659983631 419051934 /nfs/dbraw/zinc/05/19/34/419051934.db2.gz RMENURVUWNVEMJ-JHJVBQTASA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000659983631 419051938 /nfs/dbraw/zinc/05/19/38/419051938.db2.gz RMENURVUWNVEMJ-JHJVBQTASA-N 2 1 262.388 3.082 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000653598131 419058391 /nfs/dbraw/zinc/05/83/91/419058391.db2.gz NJDIBNZQZBFZLT-CQSZACIVSA-N 2 1 287.407 3.102 20 0 CGADMP COc1ccc(C(C)C)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000655941393 419129005 /nfs/dbraw/zinc/12/90/05/419129005.db2.gz SDTMGMIGYLLZCL-QGZVFWFLSA-N 2 1 290.451 3.296 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CC1 ZINC000655941237 419129658 /nfs/dbraw/zinc/12/96/58/419129658.db2.gz OKCNYBPWXJCZOX-ZBFHGGJFSA-N 2 1 264.457 3.277 20 0 CGADMP Clc1cccc(CC[N@@H+]2CCn3cncc3C2)c1Cl ZINC000660581645 419165726 /nfs/dbraw/zinc/16/57/26/419165726.db2.gz HVABQLAWYMDHRL-UHFFFAOYSA-N 2 1 296.201 3.248 20 0 CGADMP Clc1cccc(CC[N@H+]2CCn3cncc3C2)c1Cl ZINC000660581645 419165729 /nfs/dbraw/zinc/16/57/29/419165729.db2.gz HVABQLAWYMDHRL-UHFFFAOYSA-N 2 1 296.201 3.248 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660614973 419169375 /nfs/dbraw/zinc/16/93/75/419169375.db2.gz CNEMMUQYIODUQL-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660614973 419169377 /nfs/dbraw/zinc/16/93/77/419169377.db2.gz CNEMMUQYIODUQL-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660614973 419169382 /nfs/dbraw/zinc/16/93/82/419169382.db2.gz CNEMMUQYIODUQL-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C/C=C/c1ccccc1)C2 ZINC000660657149 419176623 /nfs/dbraw/zinc/17/66/23/419176623.db2.gz WAZJBBKFBXPPIB-YXOJNZSOSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C/C=C/c1ccccc1)C2 ZINC000660657149 419176627 /nfs/dbraw/zinc/17/66/27/419176627.db2.gz WAZJBBKFBXPPIB-YXOJNZSOSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C/C=C/c1ccccc1)C2 ZINC000660657149 419176630 /nfs/dbraw/zinc/17/66/30/419176630.db2.gz WAZJBBKFBXPPIB-YXOJNZSOSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000660657149 419176633 /nfs/dbraw/zinc/17/66/33/419176633.db2.gz WAZJBBKFBXPPIB-YXOJNZSOSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCCc3ccccc31)C2 ZINC000660658625 419177276 /nfs/dbraw/zinc/17/72/76/419177276.db2.gz IBFNTDWZIUKCHY-RTBURBONSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000660658625 419177279 /nfs/dbraw/zinc/17/72/79/419177279.db2.gz IBFNTDWZIUKCHY-RTBURBONSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000660658625 419177281 /nfs/dbraw/zinc/17/72/81/419177281.db2.gz IBFNTDWZIUKCHY-RTBURBONSA-N 2 1 284.447 3.482 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000655938114 419127485 /nfs/dbraw/zinc/12/74/85/419127485.db2.gz NGDRLOYXFXVFKC-UHFFFAOYSA-N 2 1 278.440 3.235 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000655938114 419127489 /nfs/dbraw/zinc/12/74/89/419127489.db2.gz NGDRLOYXFXVFKC-UHFFFAOYSA-N 2 1 278.440 3.235 20 0 CGADMP CC(C)n1ccnc1CNCCC[N@@H+](C)C1CCCCC1 ZINC000657299671 419245847 /nfs/dbraw/zinc/24/58/47/419245847.db2.gz ZKRNKKVURHYDCC-UHFFFAOYSA-N 2 1 292.471 3.208 20 0 CGADMP Cc1ccc2cc(C[NH2+]CCC[N@@H+](C)C(C)C)[nH]c2c1 ZINC000657304939 419246611 /nfs/dbraw/zinc/24/66/11/419246611.db2.gz KOOPWDZTSUNERS-UHFFFAOYSA-N 2 1 273.424 3.296 20 0 CGADMP Cc1ccc2cc(C[NH2+]CCC[N@H+](C)C(C)C)[nH]c2c1 ZINC000657304939 419246613 /nfs/dbraw/zinc/24/66/13/419246613.db2.gz KOOPWDZTSUNERS-UHFFFAOYSA-N 2 1 273.424 3.296 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(COC)cs2)CC1 ZINC000657336084 419253538 /nfs/dbraw/zinc/25/35/38/419253538.db2.gz OZUYKCUZXSJKFF-UHFFFAOYSA-N 2 1 296.480 3.249 20 0 CGADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000657348357 419257001 /nfs/dbraw/zinc/25/70/01/419257001.db2.gz SSHIKWHBYRGYSO-CQSZACIVSA-N 2 1 296.480 3.105 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc21 ZINC000657375912 419263967 /nfs/dbraw/zinc/26/39/67/419263967.db2.gz MAFNUPZAATVFBB-KBPBESRZSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc21 ZINC000657375912 419263969 /nfs/dbraw/zinc/26/39/69/419263969.db2.gz MAFNUPZAATVFBB-KBPBESRZSA-N 2 1 271.408 3.049 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CO1 ZINC000657396572 419269588 /nfs/dbraw/zinc/26/95/88/419269588.db2.gz MTZHWZHAIZMUQE-QANKJYHBSA-N 2 1 299.418 3.399 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000656787519 419219121 /nfs/dbraw/zinc/21/91/21/419219121.db2.gz LPWWQUZLSHAASV-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H](C)CC)cc1 ZINC000656790488 419220340 /nfs/dbraw/zinc/22/03/40/419220340.db2.gz VIXJASOQIWGPCU-JLSDUUJJSA-N 2 1 290.451 3.167 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000657179327 419229595 /nfs/dbraw/zinc/22/95/95/419229595.db2.gz BBNOADWLHZGBKD-CABCVRRESA-N 2 1 280.481 3.391 20 0 CGADMP C(C[NH2+]C1CCC(C2CCC2)CC1)C[NH+]1CCC1 ZINC000657423190 419274863 /nfs/dbraw/zinc/27/48/63/419274863.db2.gz HFZPCGBTYLODSE-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000657678319 419327221 /nfs/dbraw/zinc/32/72/21/419327221.db2.gz PJSGYTAJAVKVOA-HZPDHXFCSA-N 2 1 292.467 3.085 20 0 CGADMP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000657678319 419327222 /nfs/dbraw/zinc/32/72/22/419327222.db2.gz PJSGYTAJAVKVOA-HZPDHXFCSA-N 2 1 292.467 3.085 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000662106694 419336881 /nfs/dbraw/zinc/33/68/81/419336881.db2.gz GMQUSLMTKVBDCC-QZTJIDSGSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000662106694 419336884 /nfs/dbraw/zinc/33/68/84/419336884.db2.gz GMQUSLMTKVBDCC-QZTJIDSGSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000662106694 419336885 /nfs/dbraw/zinc/33/68/85/419336885.db2.gz GMQUSLMTKVBDCC-QZTJIDSGSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000662106694 419336887 /nfs/dbraw/zinc/33/68/87/419336887.db2.gz GMQUSLMTKVBDCC-QZTJIDSGSA-N 2 1 292.467 3.161 20 0 CGADMP C(C[N@H+]1CC[C@@H](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662306253 419388664 /nfs/dbraw/zinc/38/86/64/419388664.db2.gz PPZPJLKRRMTYFB-NVXWUHKLSA-N 2 1 264.457 3.278 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000662299846 419388698 /nfs/dbraw/zinc/38/86/98/419388698.db2.gz YLDGDCKQJAZTIO-HNNXBMFYSA-N 2 1 272.436 3.168 20 0 CGADMP CCc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662314794 419389548 /nfs/dbraw/zinc/38/95/48/419389548.db2.gz QFPWONDHVBJPCD-TZMCWYRMSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657861854 419392544 /nfs/dbraw/zinc/39/25/44/419392544.db2.gz ADQIXPIZIZXGMQ-LLVKDONJSA-N 2 1 286.404 3.152 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000657870777 419396704 /nfs/dbraw/zinc/39/67/04/419396704.db2.gz FXUBLEXWEVWMGV-CHWSQXEVSA-N 2 1 276.415 3.376 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000657883271 419402920 /nfs/dbraw/zinc/40/29/20/419402920.db2.gz ZZYFGLJGSODYPX-GJZGRUSLSA-N 2 1 270.486 3.126 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000657883271 419402929 /nfs/dbraw/zinc/40/29/29/419402929.db2.gz ZZYFGLJGSODYPX-GJZGRUSLSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657891630 419412426 /nfs/dbraw/zinc/41/24/26/419412426.db2.gz TWULZJDABRBNLM-SGMGOOAPSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657891630 419412433 /nfs/dbraw/zinc/41/24/33/419412433.db2.gz TWULZJDABRBNLM-SGMGOOAPSA-N 2 1 289.448 3.430 20 0 CGADMP C[N@@H+](CC[C@H]1CCc2ccccc21)CC(C)(C)C[NH3+] ZINC000662248085 419373427 /nfs/dbraw/zinc/37/34/27/419373427.db2.gz SMZWBAUEQHNVPQ-OAHLLOKOSA-N 2 1 260.425 3.023 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662245164 419374187 /nfs/dbraw/zinc/37/41/87/419374187.db2.gz IDGVVAFKFVWPEK-OAHLLOKOSA-N 2 1 260.425 3.025 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657830307 419376099 /nfs/dbraw/zinc/37/60/99/419376099.db2.gz HROCVXSZOJLVSE-QLFBSQMISA-N 2 1 252.446 3.131 20 0 CGADMP COC1([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000657830157 419376845 /nfs/dbraw/zinc/37/68/45/419376845.db2.gz MHWVAVHEQULVEB-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657833118 419379191 /nfs/dbraw/zinc/37/91/91/419379191.db2.gz DVQNXYAPTUBPGR-NWDGAFQWSA-N 2 1 295.377 3.154 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277265 419382542 /nfs/dbraw/zinc/38/25/42/419382542.db2.gz OJWCNSFFQLABQJ-MJGOQNOKSA-N 2 1 284.447 3.182 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCCC1CCC1)CC[NH2+]CC2 ZINC000662282018 419385558 /nfs/dbraw/zinc/38/55/58/419385558.db2.gz ASMWXGRIANVVLV-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000657932606 419449123 /nfs/dbraw/zinc/44/91/23/419449123.db2.gz WKLSTYSXJJTBJC-AOCRQIFASA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663346171 419566437 /nfs/dbraw/zinc/56/64/37/419566437.db2.gz PSNJDSKMPAFSSZ-QGZVFWFLSA-N 2 1 290.426 3.346 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000658036850 419515010 /nfs/dbraw/zinc/51/50/10/419515010.db2.gz ZCBVANWKYNJBCO-KGLIPLIRSA-N 2 1 287.407 3.210 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000663497657 419637741 /nfs/dbraw/zinc/63/77/41/419637741.db2.gz DRZIJBWPMQCROI-CQSZACIVSA-N 2 1 289.448 3.273 20 0 CGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663347262 419569299 /nfs/dbraw/zinc/56/92/99/419569299.db2.gz IGYWHFOMUPXUSA-OAHLLOKOSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663347262 419569309 /nfs/dbraw/zinc/56/93/09/419569309.db2.gz IGYWHFOMUPXUSA-OAHLLOKOSA-N 2 1 294.389 3.176 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC000663466006 419615021 /nfs/dbraw/zinc/61/50/21/419615021.db2.gz MZHGCGHRPNMXDU-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467189 419619046 /nfs/dbraw/zinc/61/90/46/419619046.db2.gz DEBMYUDKHXDKOA-DOTOQJQBSA-N 2 1 287.451 3.163 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467590 419619142 /nfs/dbraw/zinc/61/91/42/419619142.db2.gz GURDRTIXGFJTOB-VQIMIIECSA-N 2 1 284.447 3.386 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]2CCC[C@H]21 ZINC000658224334 419683096 /nfs/dbraw/zinc/68/30/96/419683096.db2.gz SOWKFUPNXCZZQD-HRCADAONSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[C@@H](NCC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526039356 260002398 /nfs/dbraw/zinc/00/23/98/260002398.db2.gz HLBCQBVUHGOSEL-HOCLYGCPSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000526039356 260002400 /nfs/dbraw/zinc/00/24/00/260002400.db2.gz HLBCQBVUHGOSEL-HOCLYGCPSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526039356 260002401 /nfs/dbraw/zinc/00/24/01/260002401.db2.gz HLBCQBVUHGOSEL-HOCLYGCPSA-N 2 1 276.399 3.131 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313050949 260241829 /nfs/dbraw/zinc/24/18/29/260241829.db2.gz SQHDWWTVKRZZDF-OAHLLOKOSA-N 2 1 261.413 3.284 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390670752 262238195 /nfs/dbraw/zinc/23/81/95/262238195.db2.gz RYYUNEIAGWBCGQ-YIYPIFLZSA-N 2 1 274.399 3.130 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000521423765 262326104 /nfs/dbraw/zinc/32/61/04/262326104.db2.gz OFOORKIBXSBOCA-ZDUSSCGKSA-N 2 1 290.407 3.400 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221928503 262327904 /nfs/dbraw/zinc/32/79/04/262327904.db2.gz XTCMPPAMGBQARI-JQHSSLGASA-N 2 1 274.452 3.499 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000390806834 262347816 /nfs/dbraw/zinc/34/78/16/262347816.db2.gz LBULGJHDVUMPCD-AHCXZYCDSA-N 2 1 272.436 3.143 20 0 CGADMP CC(C)CC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000391195134 262387688 /nfs/dbraw/zinc/38/76/88/262387688.db2.gz XQCJHCMXZUPLQM-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000044534296 270036637 /nfs/dbraw/zinc/03/66/37/270036637.db2.gz QUHAYZKDGFIYND-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000044534296 270036639 /nfs/dbraw/zinc/03/66/39/270036639.db2.gz QUHAYZKDGFIYND-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191964770 270076822 /nfs/dbraw/zinc/07/68/22/270076822.db2.gz BIWLGEBSBCVOMG-MSOLQXFVSA-N 2 1 299.418 3.092 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000223119220 270086193 /nfs/dbraw/zinc/08/61/93/270086193.db2.gz MBKMIBOPAOQLBH-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322872619 270094317 /nfs/dbraw/zinc/09/43/17/270094317.db2.gz YSOHPBHVQNQATK-OIYCOIKZSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000521257564 270101365 /nfs/dbraw/zinc/10/13/65/270101365.db2.gz MHERPHXDSYWVPA-CWRNSKLLSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000521257564 270101366 /nfs/dbraw/zinc/10/13/66/270101366.db2.gz MHERPHXDSYWVPA-CWRNSKLLSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)[C@@H]1c1cccs1 ZINC000525996480 270122285 /nfs/dbraw/zinc/12/22/85/270122285.db2.gz LXZBFTGHAPQDCS-TZMCWYRMSA-N 2 1 282.428 3.223 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)[C@@H]1c1cccs1 ZINC000525996480 270122286 /nfs/dbraw/zinc/12/22/86/270122286.db2.gz LXZBFTGHAPQDCS-TZMCWYRMSA-N 2 1 282.428 3.223 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527111817 270125628 /nfs/dbraw/zinc/12/56/28/270125628.db2.gz ZJFNPDOZWZFLNH-KBPBESRZSA-N 2 1 266.404 3.249 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527111817 270125629 /nfs/dbraw/zinc/12/56/29/270125629.db2.gz ZJFNPDOZWZFLNH-KBPBESRZSA-N 2 1 266.404 3.249 20 0 CGADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000527537771 270129385 /nfs/dbraw/zinc/12/93/85/270129385.db2.gz GBSYSYWYTIMUDW-WBVHZDCISA-N 2 1 287.451 3.133 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000527732858 270132865 /nfs/dbraw/zinc/13/28/65/270132865.db2.gz MXOJRAVRPWHXKI-UHFFFAOYSA-N 2 1 260.425 3.069 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC23CC3)c1 ZINC000527859923 270140255 /nfs/dbraw/zinc/14/02/55/270140255.db2.gz SCEMDPNPDVUSBL-WMLDXEAASA-N 2 1 272.436 3.417 20 0 CGADMP C/C(Cl)=C/C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000528370617 270162603 /nfs/dbraw/zinc/16/26/03/270162603.db2.gz GRJIASZHKCKFNJ-ACAGNQJTSA-N 2 1 258.837 3.181 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC000528397540 270164052 /nfs/dbraw/zinc/16/40/52/270164052.db2.gz DCUGRSXLMFIWKE-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528397540 270164053 /nfs/dbraw/zinc/16/40/53/270164053.db2.gz DCUGRSXLMFIWKE-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528397540 270164054 /nfs/dbraw/zinc/16/40/54/270164054.db2.gz DCUGRSXLMFIWKE-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528398593 270164062 /nfs/dbraw/zinc/16/40/62/270164062.db2.gz XMILGLJTOGDJCI-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000529566765 270185364 /nfs/dbraw/zinc/18/53/64/270185364.db2.gz GLWHEQMABODKHF-GOSISDBHSA-N 2 1 297.446 3.332 20 0 CGADMP c1ccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530224268 270196575 /nfs/dbraw/zinc/19/65/75/270196575.db2.gz VWLFMZAXTQAJEK-HOTGVXAUSA-N 2 1 256.393 3.012 20 0 CGADMP CCc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000530280510 270198457 /nfs/dbraw/zinc/19/84/57/270198457.db2.gz AACIOMYFGSMIMV-UHFFFAOYSA-N 2 1 278.465 3.417 20 0 CGADMP Cc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C2CCCC2)o1 ZINC000530354894 270199169 /nfs/dbraw/zinc/19/91/69/270199169.db2.gz BLJRHZFAOOFVHR-QGZVFWFLSA-N 2 1 287.407 3.385 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530413169 270199465 /nfs/dbraw/zinc/19/94/65/270199465.db2.gz BLVCHWQJMKFNCQ-STQMWFEESA-N 2 1 291.826 3.398 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCCC2)C[C@H]1C ZINC000530663078 270201615 /nfs/dbraw/zinc/20/16/15/270201615.db2.gz GJFSFMYOYGCHJW-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CCCC2)C[C@H]1C ZINC000530663078 270201616 /nfs/dbraw/zinc/20/16/16/270201616.db2.gz GJFSFMYOYGCHJW-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CCCC2)C[C@H]1C ZINC000530663078 270201617 /nfs/dbraw/zinc/20/16/17/270201617.db2.gz GJFSFMYOYGCHJW-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000530905535 270203867 /nfs/dbraw/zinc/20/38/67/270203867.db2.gz YVCRFYKHSVCSNQ-VOCYLRNQSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000530905535 270203868 /nfs/dbraw/zinc/20/38/68/270203868.db2.gz YVCRFYKHSVCSNQ-VOCYLRNQSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000530905535 270203869 /nfs/dbraw/zinc/20/38/69/270203869.db2.gz YVCRFYKHSVCSNQ-VOCYLRNQSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000530905535 270203870 /nfs/dbraw/zinc/20/38/70/270203870.db2.gz YVCRFYKHSVCSNQ-VOCYLRNQSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275486413 273620790 /nfs/dbraw/zinc/62/07/90/273620790.db2.gz IRZMIMFLOKZGRB-ZWKOTPCHSA-N 2 1 297.446 3.447 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000360014704 273720294 /nfs/dbraw/zinc/72/02/94/273720294.db2.gz JELCVQKEXFZATC-DLBZAZTESA-N 2 1 283.419 3.117 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423373794 274255144 /nfs/dbraw/zinc/25/51/44/274255144.db2.gz SGMXEFFPMDDUFF-AEJSXWLSSA-N 2 1 291.222 3.086 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC000414833411 274950992 /nfs/dbraw/zinc/95/09/92/274950992.db2.gz FMBVHOFZACPXTH-IRXDYDNUSA-N 2 1 292.854 3.304 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000449593441 275069450 /nfs/dbraw/zinc/06/94/50/275069450.db2.gz PETWNJZVDPUOCT-RBUKOAKNSA-N 2 1 284.447 3.150 20 0 CGADMP C(=C/C[N@H+]1CC2CCC1CC2)\C[NH+]1CC2CCC1CC2 ZINC000371393929 275389093 /nfs/dbraw/zinc/38/90/93/275389093.db2.gz VBDXNYUSWRASGC-OWOJBTEDSA-N 2 1 274.452 3.291 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000353970317 276009260 /nfs/dbraw/zinc/00/92/60/276009260.db2.gz CRVOWSZKTVLOQV-PMPSAXMXSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000353970317 276009261 /nfs/dbraw/zinc/00/92/61/276009261.db2.gz CRVOWSZKTVLOQV-PMPSAXMXSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423307510 276017551 /nfs/dbraw/zinc/01/75/51/276017551.db2.gz GUUVTNHAPQQRKE-HOTGVXAUSA-N 2 1 260.425 3.158 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000038097981 276152160 /nfs/dbraw/zinc/15/21/60/276152160.db2.gz QLWHVWSUQDHLNC-SFHVURJKSA-N 2 1 288.435 3.147 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C12CCC2 ZINC000250488653 276344553 /nfs/dbraw/zinc/34/45/53/276344553.db2.gz HPVBCDSJWYEWFU-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[NH+]1CCCC1 ZINC000337992914 276627306 /nfs/dbraw/zinc/62/73/06/276627306.db2.gz FPWIMFSFJJUOJC-OAGGEKHMSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH2+]CCC[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000420371642 277022090 /nfs/dbraw/zinc/02/20/90/277022090.db2.gz KRXKMHLVJHALSO-MRXNPFEDSA-N 2 1 275.440 3.027 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000290382729 277023641 /nfs/dbraw/zinc/02/36/41/277023641.db2.gz RUTZNRFDYGZYDA-SFHVURJKSA-N 2 1 295.430 3.397 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334997201 277031736 /nfs/dbraw/zinc/03/17/36/277031736.db2.gz BBFFVDXPLDNVNP-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000414176613 277053471 /nfs/dbraw/zinc/05/34/71/277053471.db2.gz JGCSMBSWFOFJGY-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccsc1 ZINC000162828533 277078060 /nfs/dbraw/zinc/07/80/60/277078060.db2.gz ZJNHDOYLGXXVGY-LSDHHAIUSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000162828533 277078061 /nfs/dbraw/zinc/07/80/61/277078061.db2.gz ZJNHDOYLGXXVGY-LSDHHAIUSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000162828533 277078062 /nfs/dbraw/zinc/07/80/62/277078062.db2.gz ZJNHDOYLGXXVGY-LSDHHAIUSA-N 2 1 264.438 3.369 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177413 277086351 /nfs/dbraw/zinc/08/63/51/277086351.db2.gz PZAWVDLLBZKOQV-VEXQSBSHSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177413 277086352 /nfs/dbraw/zinc/08/63/52/277086352.db2.gz PZAWVDLLBZKOQV-VEXQSBSHSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177413 277086355 /nfs/dbraw/zinc/08/63/55/277086355.db2.gz PZAWVDLLBZKOQV-VEXQSBSHSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177413 277086356 /nfs/dbraw/zinc/08/63/56/277086356.db2.gz PZAWVDLLBZKOQV-VEXQSBSHSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000513656583 277170334 /nfs/dbraw/zinc/17/03/34/277170334.db2.gz VMRHHKSWJOWRPT-JYJNAYRXSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334997203 277275564 /nfs/dbraw/zinc/27/55/64/277275564.db2.gz BBFFVDXPLDNVNP-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000449777556 277298821 /nfs/dbraw/zinc/29/88/21/277298821.db2.gz VKEHSOLNLOJAQA-DLBZAZTESA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000090586517 277397081 /nfs/dbraw/zinc/39/70/81/277397081.db2.gz QLBIHZHYBVGSIX-LSDHHAIUSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000180348518 278024618 /nfs/dbraw/zinc/02/46/18/278024618.db2.gz IHEQJECPHUVVMH-GDBMZVCRSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000180348518 278024622 /nfs/dbraw/zinc/02/46/22/278024622.db2.gz IHEQJECPHUVVMH-GDBMZVCRSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@H]1C ZINC000494964386 278026880 /nfs/dbraw/zinc/02/68/80/278026880.db2.gz OVGARTSIBVIQKQ-WTTBNOFXSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261687744 278035294 /nfs/dbraw/zinc/03/52/94/278035294.db2.gz AVDZCODANFEDJM-KRWDZBQOSA-N 2 1 260.425 3.241 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000395132729 288006071 /nfs/dbraw/zinc/00/60/71/288006071.db2.gz ZLBDOGPZWJXCON-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000395132729 288006072 /nfs/dbraw/zinc/00/60/72/288006072.db2.gz ZLBDOGPZWJXCON-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP CC1(C)CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000395283315 288007981 /nfs/dbraw/zinc/00/79/81/288007981.db2.gz DVEKOGUEZCMPSJ-UHFFFAOYSA-N 2 1 272.436 3.429 20 0 CGADMP CC(C[NH+]1CCC2(CCC2)C1)C[N@H+]1CCC2(CCC2)C1 ZINC000176943938 278155909 /nfs/dbraw/zinc/15/59/09/278155909.db2.gz KIGVVESKNXIMHO-UHFFFAOYSA-N 2 1 276.468 3.375 20 0 CGADMP CC(CC[NH+]1CC[C@@](C)(F)C1)CC[N@H+]1CC[C@@](C)(F)C1 ZINC000411416218 278155970 /nfs/dbraw/zinc/15/59/70/278155970.db2.gz CPBTXRREEDSKQO-HZPDHXFCSA-N 2 1 288.426 3.271 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337983841 278211308 /nfs/dbraw/zinc/21/13/08/278211308.db2.gz BYKQYHIRUPZFHN-JHNDHUHGSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000337983841 278211309 /nfs/dbraw/zinc/21/13/09/278211309.db2.gz BYKQYHIRUPZFHN-JHNDHUHGSA-N 2 1 264.457 3.275 20 0 CGADMP CSc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000397397390 288023560 /nfs/dbraw/zinc/02/35/60/288023560.db2.gz HFOXHKMYBJIEJI-NFAWXSAZSA-N 2 1 278.465 3.214 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@]1(C)CCCO1 ZINC000340187191 278257482 /nfs/dbraw/zinc/25/74/82/278257482.db2.gz UWJTZWCVKGAYPQ-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)C[NH+](C)C ZINC000293265533 278284782 /nfs/dbraw/zinc/28/47/82/278284782.db2.gz CDICZTGOADYBNT-GOEBONIOSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251973009 278348151 /nfs/dbraw/zinc/34/81/51/278348151.db2.gz YGQNKJNEAYHSLZ-BLNMRFBMSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251973009 278348154 /nfs/dbraw/zinc/34/81/54/278348154.db2.gz YGQNKJNEAYHSLZ-BLNMRFBMSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cnn1C(C)C ZINC000423181372 278607742 /nfs/dbraw/zinc/60/77/42/278607742.db2.gz PBHIBRNNNXLIOR-CYBMUJFWSA-N 2 1 278.444 3.085 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423299668 278724911 /nfs/dbraw/zinc/72/49/11/278724911.db2.gz QJSINLVMOJGNOR-YPMHNXCESA-N 2 1 262.388 3.308 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000290462589 278919657 /nfs/dbraw/zinc/91/96/57/278919657.db2.gz WQBQFUAXCHTCAH-JKIFEVAISA-N 2 1 281.403 3.284 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423331301 279003734 /nfs/dbraw/zinc/00/37/34/279003734.db2.gz QEAOXBIXYUHDEN-BXUZGUMPSA-N 2 1 254.805 3.364 20 0 CGADMP Cc1c[nH+]ccc1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000192499966 279028302 /nfs/dbraw/zinc/02/83/02/279028302.db2.gz HAKRECFUQVNILE-AWEZNQCLSA-N 2 1 261.413 3.314 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459594038 288099070 /nfs/dbraw/zinc/09/90/70/288099070.db2.gz RGSLDNZQXIXCOF-HDJSIYSDSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H](F)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459476767 288093631 /nfs/dbraw/zinc/09/36/31/288093631.db2.gz GSDSCJOKMIDIRE-CQSZACIVSA-N 2 1 287.382 3.105 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000036908193 288107172 /nfs/dbraw/zinc/10/71/72/288107172.db2.gz MDDHMGGSIYYYCE-DTTOXWODSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459746183 288101149 /nfs/dbraw/zinc/10/11/49/288101149.db2.gz ZBCOQBBTHICIEO-DOTOQJQBSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@@]1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423344842 279162718 /nfs/dbraw/zinc/16/27/18/279162718.db2.gz YIPOAHLDGCUSOV-GDBMZVCRSA-N 2 1 294.439 3.342 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCOC(C)(C)C1 ZINC000351948827 279181815 /nfs/dbraw/zinc/18/18/15/279181815.db2.gz ITIDZTZTIUCVPL-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000414709110 279233873 /nfs/dbraw/zinc/23/38/73/279233873.db2.gz DTKVUTJKQSNPIM-KRWDZBQOSA-N 2 1 290.451 3.276 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297544408 279258548 /nfs/dbraw/zinc/25/85/48/279258548.db2.gz FETPRIUUBJWRFW-YPMHNXCESA-N 2 1 281.831 3.042 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000359193248 279355441 /nfs/dbraw/zinc/35/54/41/279355441.db2.gz JEHOXFULQGSPRM-INIZCTEOSA-N 2 1 294.414 3.359 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000359193248 279355443 /nfs/dbraw/zinc/35/54/43/279355443.db2.gz JEHOXFULQGSPRM-INIZCTEOSA-N 2 1 294.414 3.359 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C2CC2)cc1 ZINC000417353159 279454757 /nfs/dbraw/zinc/45/47/57/279454757.db2.gz IAYPVTIFOWSPSJ-ZDUSSCGKSA-N 2 1 258.409 3.309 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3o2)C1 ZINC000519168925 288133818 /nfs/dbraw/zinc/13/38/18/288133818.db2.gz UTCBYNDHNVWCIS-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168925 288133821 /nfs/dbraw/zinc/13/38/21/288133821.db2.gz UTCBYNDHNVWCIS-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168925 288133823 /nfs/dbraw/zinc/13/38/23/288133823.db2.gz UTCBYNDHNVWCIS-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252851774 288153593 /nfs/dbraw/zinc/15/35/93/288153593.db2.gz IETSKLZXCFPPBD-QSPRXWTASA-N 2 1 276.399 3.336 20 0 CGADMP FC(F)(F)c1sccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000527633135 288178827 /nfs/dbraw/zinc/17/88/27/288178827.db2.gz SQTKSXLJIYNHTP-UHFFFAOYSA-N 2 1 292.370 3.342 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427099260 280239107 /nfs/dbraw/zinc/23/91/07/280239107.db2.gz GXJOCIQKHXLOGO-FGTMMUONSA-N 2 1 272.436 3.110 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000430721975 280329332 /nfs/dbraw/zinc/32/93/32/280329332.db2.gz MARGYFVMDHGALN-OTJKEOIZSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000430721975 280329333 /nfs/dbraw/zinc/32/93/33/280329333.db2.gz MARGYFVMDHGALN-OTJKEOIZSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1 ZINC000423445589 280333877 /nfs/dbraw/zinc/33/38/77/280333877.db2.gz YDKLBFXDCKUMDY-LJISPDSOSA-N 2 1 298.352 3.210 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057667 281018159 /nfs/dbraw/zinc/01/81/59/281018159.db2.gz HRFNLPXYQSZLLR-MLGOLLRUSA-N 2 1 282.378 3.477 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339070466 281059542 /nfs/dbraw/zinc/05/95/42/281059542.db2.gz YLMBBPOTQCBGGM-NUJGCVRESA-N 2 1 270.420 3.199 20 0 CGADMP C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)c1c[nH+]ccc1N ZINC000530207906 288299746 /nfs/dbraw/zinc/29/97/46/288299746.db2.gz FFSHPTJSNIBEIA-GFCCVEGCSA-N 2 1 273.424 3.361 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)c2c1 ZINC000354591480 281170328 /nfs/dbraw/zinc/17/03/28/281170328.db2.gz HEOOCDBMLOTVSZ-KSSFIOAISA-N 2 1 281.403 3.074 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250976752 281383399 /nfs/dbraw/zinc/38/33/99/281383399.db2.gz CNLLVMOEPBHVHG-XHSDSOJGSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531708220 288341647 /nfs/dbraw/zinc/34/16/47/288341647.db2.gz LYOZZXLXNXNJRX-OAHLLOKOSA-N 2 1 275.783 3.122 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000532225420 288356151 /nfs/dbraw/zinc/35/61/51/288356151.db2.gz YSFKVIVMXWUCCB-FUHWJXTLSA-N 2 1 272.436 3.459 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000548790566 289022464 /nfs/dbraw/zinc/02/24/64/289022464.db2.gz MHTAMYNPTFXVBP-BFHYXJOUSA-N 2 1 290.398 3.001 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000548873872 289026709 /nfs/dbraw/zinc/02/67/09/289026709.db2.gz RPPSWAFTJQTTAW-HNNXBMFYSA-N 2 1 263.429 3.388 20 0 CGADMP CCC[N@@H+](CCC[NH+](CC)CC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000548918427 289028918 /nfs/dbraw/zinc/02/89/18/289028918.db2.gz RIKVWKZCRWOAOI-ZACQAIPSSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000549466477 289044646 /nfs/dbraw/zinc/04/46/46/289044646.db2.gz LDGPANXWDQWFMC-ZWKOTPCHSA-N 2 1 294.483 3.308 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000551790348 289133405 /nfs/dbraw/zinc/13/34/05/289133405.db2.gz ZZZKIYDWTXCCMU-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)[C@@H](C)C1 ZINC000552043705 289153930 /nfs/dbraw/zinc/15/39/30/289153930.db2.gz ZLMAIWBEAUDGHY-XWTMOSNGSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552058052 289156090 /nfs/dbraw/zinc/15/60/90/289156090.db2.gz SSKRGILBQPNHIR-XIWROIHLSA-N 2 1 270.420 3.162 20 0 CGADMP Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000552900950 289201866 /nfs/dbraw/zinc/20/18/66/289201866.db2.gz HUHLKOBQLFBACT-GVDBMIGSSA-N 2 1 290.451 3.001 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168159 289331530 /nfs/dbraw/zinc/33/15/30/289331530.db2.gz PXXSPKFXCJAUKY-XFUTXVRSSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168159 289331531 /nfs/dbraw/zinc/33/15/31/289331531.db2.gz PXXSPKFXCJAUKY-XFUTXVRSSA-N 2 1 284.447 3.395 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000556118520 289371782 /nfs/dbraw/zinc/37/17/82/289371782.db2.gz FOIDCCPQWWBUOJ-IKGGRYGDSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000556118520 289371783 /nfs/dbraw/zinc/37/17/83/289371783.db2.gz FOIDCCPQWWBUOJ-IKGGRYGDSA-N 2 1 272.436 3.458 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414938415 289551882 /nfs/dbraw/zinc/55/18/82/289551882.db2.gz YJZDGWJATFZASG-HONMWMINSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H](C)C1CCSCC1 ZINC000187570116 289583280 /nfs/dbraw/zinc/58/32/80/289583280.db2.gz URNXTLOTUAFGTE-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000093977922 290053686 /nfs/dbraw/zinc/05/36/86/290053686.db2.gz SLXCHFGPCNHDJT-CWRNSKLLSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000353610886 290222740 /nfs/dbraw/zinc/22/27/40/290222740.db2.gz BEUULRFHVBKCOV-CBBWQLFWSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000375807619 290224588 /nfs/dbraw/zinc/22/45/88/290224588.db2.gz RFALKTCFXPIKBR-XAJHFOFHSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261701382 290224716 /nfs/dbraw/zinc/22/47/16/290224716.db2.gz ILVCRJZBHSOYKE-RISCZKNCSA-N 2 1 286.341 3.437 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261688735 290244122 /nfs/dbraw/zinc/24/41/22/290244122.db2.gz NDNWVMHIGJWROP-NIKGAXFTSA-N 2 1 280.415 3.442 20 0 CGADMP C[C@H]1CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)C1 ZINC000459738473 290353515 /nfs/dbraw/zinc/35/35/15/290353515.db2.gz RVIAARXRHPPUSJ-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C1CCC(CSC)CC1 ZINC000385698354 336154462 /nfs/dbraw/zinc/15/44/62/336154462.db2.gz PHPMGJYRPBCHHB-UHFFFAOYSA-N 2 1 272.502 3.230 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(CSC)CC1 ZINC000385698354 336154463 /nfs/dbraw/zinc/15/44/63/336154463.db2.gz PHPMGJYRPBCHHB-UHFFFAOYSA-N 2 1 272.502 3.230 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1F ZINC000423267527 295025406 /nfs/dbraw/zinc/02/54/06/295025406.db2.gz TWYPLPJVXURDOK-BLLLJJGKSA-N 2 1 294.414 3.393 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000070169456 295240444 /nfs/dbraw/zinc/24/04/44/295240444.db2.gz KYIAQVOLAXVCPG-GFCCVEGCSA-N 2 1 297.240 3.010 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](CCC(F)(F)F)CC2CC2)CC[NH2+]1 ZINC000414710364 297395820 /nfs/dbraw/zinc/39/58/20/297395820.db2.gz PZZUUCVOJJAOLD-DGCLKSJQSA-N 2 1 278.362 3.039 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC[NH2+]1 ZINC000423381711 297449942 /nfs/dbraw/zinc/44/99/42/297449942.db2.gz OLXBZYRJSQSEHV-JMSVASOKSA-N 2 1 294.826 3.284 20 0 CGADMP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423376685 302887153 /nfs/dbraw/zinc/88/71/53/302887153.db2.gz YJWPSHBIYRJFBQ-UKRRQHHQSA-N 2 1 294.826 3.285 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccn1 ZINC000159002857 321827308 /nfs/dbraw/zinc/82/73/08/321827308.db2.gz UOFLPINBHRSQLD-GDBMZVCRSA-N 2 1 286.423 3.354 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]CCCC3CC3)CC2)cc1 ZINC000163356669 321894269 /nfs/dbraw/zinc/89/42/69/321894269.db2.gz SWXWBQZLCLKRMC-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)c(F)c1 ZINC000563880372 322014070 /nfs/dbraw/zinc/01/40/70/322014070.db2.gz VUAAXQWTNKNKKY-SECBINFHSA-N 2 1 256.752 3.011 20 0 CGADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000564097916 322020390 /nfs/dbraw/zinc/02/03/90/322020390.db2.gz FSBFDBXJNTZKHH-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000564097916 322020392 /nfs/dbraw/zinc/02/03/92/322020392.db2.gz FSBFDBXJNTZKHH-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000564097916 322020395 /nfs/dbraw/zinc/02/03/95/322020395.db2.gz FSBFDBXJNTZKHH-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000565579122 322082568 /nfs/dbraw/zinc/08/25/68/322082568.db2.gz SGYPKSSLYHWWLI-NCOADZHNSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000565587701 322083247 /nfs/dbraw/zinc/08/32/47/322083247.db2.gz HMVQQYLEVGBYMG-LJISPDSOSA-N 2 1 278.465 3.172 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000565618231 322084244 /nfs/dbraw/zinc/08/42/44/322084244.db2.gz BDHDNEKOFWITPZ-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000565618231 322084246 /nfs/dbraw/zinc/08/42/46/322084246.db2.gz BDHDNEKOFWITPZ-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP COc1cccc(Cl)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566068358 322102442 /nfs/dbraw/zinc/10/24/42/322102442.db2.gz DYSXEWPVTQVOJM-UHFFFAOYSA-N 2 1 290.794 3.097 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@@]1(C)CCC[NH2+]C1 ZINC000566236203 322110528 /nfs/dbraw/zinc/11/05/28/322110528.db2.gz ZYDCKRFVCJYWQX-KRWDZBQOSA-N 2 1 269.392 3.345 20 0 CGADMP CCC(CC)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000566415930 322120713 /nfs/dbraw/zinc/12/07/13/322120713.db2.gz GSPGFLKMSICUGC-QZTJIDSGSA-N 2 1 292.467 3.066 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000566748475 322137275 /nfs/dbraw/zinc/13/72/75/322137275.db2.gz KUJJVAVGYFDDGG-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000567068670 322149409 /nfs/dbraw/zinc/14/94/09/322149409.db2.gz ZTBJUUOYRCBUAQ-TWMKSMIVSA-N 2 1 264.457 3.441 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000567068670 322149410 /nfs/dbraw/zinc/14/94/10/322149410.db2.gz ZTBJUUOYRCBUAQ-TWMKSMIVSA-N 2 1 264.457 3.441 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@H](C)c1ccccc1 ZINC000567200876 322154391 /nfs/dbraw/zinc/15/43/91/322154391.db2.gz AKTCKQLWYOZUSO-INIZCTEOSA-N 2 1 262.441 3.454 20 0 CGADMP CC[NH2+]CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000567604064 322170209 /nfs/dbraw/zinc/17/02/09/322170209.db2.gz YKCHPOIGZNFPSZ-UHFFFAOYSA-N 2 1 268.404 3.365 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(Cl)c1 ZINC000568632338 322216265 /nfs/dbraw/zinc/21/62/65/322216265.db2.gz PHLIFSNLCMEFRQ-NXEZZACHSA-N 2 1 258.768 3.003 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCCCC1 ZINC000568677340 322218089 /nfs/dbraw/zinc/21/80/89/322218089.db2.gz USINLHWKLOJLGC-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCCCC1 ZINC000568677357 322218141 /nfs/dbraw/zinc/21/81/41/322218141.db2.gz USINLHWKLOJLGC-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000569234587 322240486 /nfs/dbraw/zinc/24/04/86/322240486.db2.gz DITLAEFIOXCYPV-QGZVFWFLSA-N 2 1 287.382 3.329 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000569234587 322240488 /nfs/dbraw/zinc/24/04/88/322240488.db2.gz DITLAEFIOXCYPV-QGZVFWFLSA-N 2 1 287.382 3.329 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CC3)CCCCC1 ZINC000569988967 322262557 /nfs/dbraw/zinc/26/25/57/322262557.db2.gz SCQVJLSALHHFFK-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@@H]2CCCC[C@@H]12 ZINC000570104018 322265098 /nfs/dbraw/zinc/26/50/98/322265098.db2.gz FZBHEHQVSFHWFC-HYVNUMGLSA-N 2 1 275.440 3.253 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@@H]2CCCC[C@@H]12 ZINC000570104018 322265099 /nfs/dbraw/zinc/26/50/99/322265099.db2.gz FZBHEHQVSFHWFC-HYVNUMGLSA-N 2 1 275.440 3.253 20 0 CGADMP C[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000570854384 322283860 /nfs/dbraw/zinc/28/38/60/322283860.db2.gz NSTVKRUDIBCYKP-KBXCAEBGSA-N 2 1 290.426 3.221 20 0 CGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CCC2CCCC2)C(C)(C)C)C1 ZINC000570975929 322287033 /nfs/dbraw/zinc/28/70/33/322287033.db2.gz NFSJCFHVJFMHKT-WMZOPIPTSA-N 2 1 296.499 3.028 20 0 CGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CCC2CCCC2)C(C)(C)C)C1 ZINC000570975929 322287034 /nfs/dbraw/zinc/28/70/34/322287034.db2.gz NFSJCFHVJFMHKT-WMZOPIPTSA-N 2 1 296.499 3.028 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c(C)s1 ZINC000571157399 322291542 /nfs/dbraw/zinc/29/15/42/322291542.db2.gz JEDQEWNPSYMOQS-UHFFFAOYSA-N 2 1 266.454 3.329 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000571216229 322293253 /nfs/dbraw/zinc/29/32/53/322293253.db2.gz DQAHHDPQABLVJI-OAGGEKHMSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000571216229 322293255 /nfs/dbraw/zinc/29/32/55/322293255.db2.gz DQAHHDPQABLVJI-OAGGEKHMSA-N 2 1 252.446 3.297 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000571575899 322302310 /nfs/dbraw/zinc/30/23/10/322302310.db2.gz OOSHJDCSKJGPSA-HOCLYGCPSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000571575899 322302312 /nfs/dbraw/zinc/30/23/12/322302312.db2.gz OOSHJDCSKJGPSA-HOCLYGCPSA-N 2 1 264.457 3.395 20 0 CGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000572879815 322359065 /nfs/dbraw/zinc/35/90/65/322359065.db2.gz YPUCYZDVKJWFDI-IUCAKERBSA-N 2 1 291.222 3.217 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671754 322399921 /nfs/dbraw/zinc/39/99/21/322399921.db2.gz DCVYSTQFJWVYDB-ZIAGYGMSSA-N 2 1 296.405 3.388 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000582501863 329098213 /nfs/dbraw/zinc/09/82/13/329098213.db2.gz SPDHEEUXCXOZSS-OAHLLOKOSA-N 2 1 254.462 3.236 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000395133332 329275317 /nfs/dbraw/zinc/27/53/17/329275317.db2.gz HAEPZZDHKROVLJ-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](Cc1ccnc2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000583051988 329303645 /nfs/dbraw/zinc/30/36/45/329303645.db2.gz OANNGPAZKMXCID-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1ccnc2ccccc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000583051988 329303646 /nfs/dbraw/zinc/30/36/46/329303646.db2.gz OANNGPAZKMXCID-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1ccnc2ccccc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000583051988 329303647 /nfs/dbraw/zinc/30/36/47/329303647.db2.gz OANNGPAZKMXCID-SJPCQFCGSA-N 2 1 295.430 3.292 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000576074335 335149521 /nfs/dbraw/zinc/14/95/21/335149521.db2.gz BPGACACWSLPALQ-LJQANCHMSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000576809757 335250003 /nfs/dbraw/zinc/25/00/03/335250003.db2.gz DYURFGAUQACFDO-RTBURBONSA-N 2 1 286.463 3.249 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000580563864 335286808 /nfs/dbraw/zinc/28/68/08/335286808.db2.gz FXJNMKZWFNRGKP-ZNMIVQPWSA-N 2 1 252.446 3.262 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](C)Cc1ccccc1 ZINC000577681912 335387434 /nfs/dbraw/zinc/38/74/34/335387434.db2.gz HJQJVEFPCZBKLN-MRXNPFEDSA-N 2 1 262.441 3.139 20 0 CGADMP CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000578495605 335640841 /nfs/dbraw/zinc/64/08/41/335640841.db2.gz FVDBDSZELJYDRB-CQSZACIVSA-N 2 1 287.407 3.101 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCCC12CC2)[NH+]1CCCC1 ZINC000581141814 336014970 /nfs/dbraw/zinc/01/49/70/336014970.db2.gz AXWCRARNDCTYAS-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000581397280 336068229 /nfs/dbraw/zinc/06/82/29/336068229.db2.gz ODNHMZSVQWNNLF-VQTKUKTRSA-N 2 1 294.389 3.298 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1ccccc1OCc1ccccc1 ZINC000382062833 336081163 /nfs/dbraw/zinc/08/11/63/336081163.db2.gz GRGVVMIXYWZBSJ-UHFFFAOYSA-N 2 1 284.403 3.046 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccccc1OCc1ccccc1 ZINC000382062833 336081164 /nfs/dbraw/zinc/08/11/64/336081164.db2.gz GRGVVMIXYWZBSJ-UHFFFAOYSA-N 2 1 284.403 3.046 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000385188060 336141467 /nfs/dbraw/zinc/14/14/67/336141467.db2.gz ODJBWLMVTQTOKG-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1C ZINC000385905902 336161011 /nfs/dbraw/zinc/16/10/11/336161011.db2.gz GVXSVVJSSWEFCR-MDZRGWNJSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000386184569 336167734 /nfs/dbraw/zinc/16/77/34/336167734.db2.gz JEOKJQXETDPOPG-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000386382943 336171903 /nfs/dbraw/zinc/17/19/03/336171903.db2.gz RYMSFLVKHNVZNI-AVOUXACISA-N 2 1 252.446 3.416 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC000087472212 521994603 /nfs/dbraw/zinc/99/46/03/521994603.db2.gz CMRYBMCSLMENEZ-NSHDSACASA-N 2 1 285.229 3.051 20 0 CGADMP COc1cccc2c(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cccc12 ZINC000449168802 533837730 /nfs/dbraw/zinc/83/77/30/533837730.db2.gz FKKQQMYFAYTNEJ-GDBMZVCRSA-N 2 1 298.430 3.421 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2occc2c1 ZINC000334749401 533897605 /nfs/dbraw/zinc/89/76/05/533897605.db2.gz JXLQFQCXGGZNRU-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2occc2c1 ZINC000334749401 533897617 /nfs/dbraw/zinc/89/76/17/533897617.db2.gz JXLQFQCXGGZNRU-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2occc2c1 ZINC000334749401 533897625 /nfs/dbraw/zinc/89/76/25/533897625.db2.gz JXLQFQCXGGZNRU-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2occc2c1 ZINC000334749401 533897633 /nfs/dbraw/zinc/89/76/33/533897633.db2.gz JXLQFQCXGGZNRU-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c(C)c1 ZINC000411440103 533918835 /nfs/dbraw/zinc/91/88/35/533918835.db2.gz HGJTZQAQEVYPCE-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c(C)c1 ZINC000411440103 533918841 /nfs/dbraw/zinc/91/88/41/533918841.db2.gz HGJTZQAQEVYPCE-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000424200713 533964015 /nfs/dbraw/zinc/96/40/15/533964015.db2.gz GVVLRDIGEVKBID-IQZDNPOKSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000424200713 533964025 /nfs/dbraw/zinc/96/40/25/533964025.db2.gz GVVLRDIGEVKBID-IQZDNPOKSA-N 2 1 284.447 3.428 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000428870336 534420492 /nfs/dbraw/zinc/42/04/92/534420492.db2.gz DUJUFJCKUMSAFJ-UHFFFAOYSA-N 2 1 292.370 3.342 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCS2 ZINC000423527687 534504546 /nfs/dbraw/zinc/50/45/46/534504546.db2.gz NDGWMOPUYHIVGU-CQSZACIVSA-N 2 1 280.412 3.094 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000157337413 520980379 /nfs/dbraw/zinc/98/03/79/520980379.db2.gz JRNWGCSRUVFFKE-KRWDZBQOSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000157337413 520980386 /nfs/dbraw/zinc/98/03/86/520980386.db2.gz JRNWGCSRUVFFKE-KRWDZBQOSA-N 2 1 288.435 3.003 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037643633 521159955 /nfs/dbraw/zinc/15/99/55/521159955.db2.gz GJQKEWHUCSWPOC-RDJZCZTQSA-N 2 1 260.425 3.459 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CCC(C(C)C)CC2)CC1 ZINC000054556241 521577993 /nfs/dbraw/zinc/57/79/93/521577993.db2.gz XTFFACPSZFWBQA-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C1CCCCC1 ZINC000423259715 534677041 /nfs/dbraw/zinc/67/70/41/534677041.db2.gz FQXBUVJLVNSEHH-IAGOWNOFSA-N 2 1 288.435 3.267 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160797864 524046071 /nfs/dbraw/zinc/04/60/71/524046071.db2.gz KOBNLNAAIMIPCH-UHFFFAOYSA-N 2 1 272.795 3.157 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000449164222 534769573 /nfs/dbraw/zinc/76/95/73/534769573.db2.gz OWCFBDGZIIZZJI-IIAWOOMASA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093978086 524536192 /nfs/dbraw/zinc/53/61/92/524536192.db2.gz UAYNGKXGNXWITN-UXLLHSPISA-N 2 1 260.425 3.080 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093978086 524536199 /nfs/dbraw/zinc/53/61/99/524536199.db2.gz UAYNGKXGNXWITN-UXLLHSPISA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cncs1 ZINC000157862078 525336177 /nfs/dbraw/zinc/33/61/77/525336177.db2.gz KECSWFXWDQRXNH-KGLIPLIRSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000088164021 525405160 /nfs/dbraw/zinc/40/51/60/525405160.db2.gz KAWVLEHLJMPVLX-FCLXEUQJSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000088164021 525405168 /nfs/dbraw/zinc/40/51/68/525405168.db2.gz KAWVLEHLJMPVLX-FCLXEUQJSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000094826951 525416794 /nfs/dbraw/zinc/41/67/94/525416794.db2.gz AHJLSZITUQMVTN-NWDGAFQWSA-N 2 1 280.362 3.100 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3F)C2)CC[N@@H+]1C ZINC000157758111 525436228 /nfs/dbraw/zinc/43/62/28/525436228.db2.gz JRWGSZKKUMGLIB-FEWQNLEASA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3F)C2)CC[N@H+]1C ZINC000157758111 525436237 /nfs/dbraw/zinc/43/62/37/525436237.db2.gz JRWGSZKKUMGLIB-FEWQNLEASA-N 2 1 276.399 3.144 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000052206170 525463717 /nfs/dbraw/zinc/46/37/17/525463717.db2.gz OOBNSMVONBGRDL-UKRRQHHQSA-N 2 1 264.413 3.421 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)c(C)o1 ZINC000052206170 525463726 /nfs/dbraw/zinc/46/37/26/525463726.db2.gz OOBNSMVONBGRDL-UKRRQHHQSA-N 2 1 264.413 3.421 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000514926308 534911957 /nfs/dbraw/zinc/91/19/57/534911957.db2.gz BHXZNFIYFBMRJH-HRCADAONSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000514926308 534911962 /nfs/dbraw/zinc/91/19/62/534911962.db2.gz BHXZNFIYFBMRJH-HRCADAONSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000049538800 526751611 /nfs/dbraw/zinc/75/16/11/526751611.db2.gz FATHLSFCYPLLBJ-JTQLQIEISA-N 2 1 267.442 3.072 20 0 CGADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423342916 527446184 /nfs/dbraw/zinc/44/61/84/527446184.db2.gz ZLUBTWTVWSKKSH-HZPDHXFCSA-N 2 1 290.451 3.290 20 0 CGADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423381352 527446392 /nfs/dbraw/zinc/44/63/92/527446392.db2.gz ZLUBTWTVWSKKSH-HOTGVXAUSA-N 2 1 290.451 3.290 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cccnc3o2)C[C@H]1C ZINC000449033421 527757435 /nfs/dbraw/zinc/75/74/35/527757435.db2.gz ZQHUHYZTIDXHPO-UKRRQHHQSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3cccnc3o2)C[C@H]1C ZINC000449033421 527757437 /nfs/dbraw/zinc/75/74/37/527757437.db2.gz ZQHUHYZTIDXHPO-UKRRQHHQSA-N 2 1 287.407 3.132 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3cccnc3o2)C[C@H]1C ZINC000449033421 527757439 /nfs/dbraw/zinc/75/74/39/527757439.db2.gz ZQHUHYZTIDXHPO-UKRRQHHQSA-N 2 1 287.407 3.132 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3cccnc3o2)C[C@H]1C ZINC000449033421 527757444 /nfs/dbraw/zinc/75/74/44/527757444.db2.gz ZQHUHYZTIDXHPO-UKRRQHHQSA-N 2 1 287.407 3.132 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000436302161 527768392 /nfs/dbraw/zinc/76/83/92/527768392.db2.gz RPTGXWXRLSOTTC-WNRNVDISSA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000436302161 527768398 /nfs/dbraw/zinc/76/83/98/527768398.db2.gz RPTGXWXRLSOTTC-WNRNVDISSA-N 2 1 296.499 3.433 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]2SC)c1 ZINC000425351585 527848066 /nfs/dbraw/zinc/84/80/66/527848066.db2.gz MCRWRLYYXWWLAN-HOTGVXAUSA-N 2 1 278.465 3.122 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411291379 528186552 /nfs/dbraw/zinc/18/65/52/528186552.db2.gz CIIUYFZKULLRKO-JLSDUUJJSA-N 2 1 290.426 3.345 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411291379 528186554 /nfs/dbraw/zinc/18/65/54/528186554.db2.gz CIIUYFZKULLRKO-JLSDUUJJSA-N 2 1 290.426 3.345 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423283735 528203403 /nfs/dbraw/zinc/20/34/03/528203403.db2.gz XLQOYQWVOXQYLX-CJNGLKHVSA-N 2 1 264.413 3.108 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1 ZINC000423420557 528239075 /nfs/dbraw/zinc/23/90/75/528239075.db2.gz BNVRSZFUMMHUTM-LJISPDSOSA-N 2 1 298.352 3.354 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422880201 528244386 /nfs/dbraw/zinc/24/43/86/528244386.db2.gz WNTYPNNWWHPGKE-JKSUJKDBSA-N 2 1 276.424 3.143 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)[C@@H]2CC2(C)C)C1 ZINC000414069916 528261607 /nfs/dbraw/zinc/26/16/07/528261607.db2.gz KSWXMUHVUXWXLE-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423263972 528310742 /nfs/dbraw/zinc/31/07/42/528310742.db2.gz PGHGLIGKYKNLOK-AAEUAGOBSA-N 2 1 286.366 3.312 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423257862 528310818 /nfs/dbraw/zinc/31/08/18/528310818.db2.gz AJWIGGULMJJLPJ-HJWJTTGWSA-N 2 1 260.425 3.142 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423306968 528513706 /nfs/dbraw/zinc/51/37/06/528513706.db2.gz FWRRPWLOQWHKHL-JKSUJKDBSA-N 2 1 275.440 3.005 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000423269423 528533784 /nfs/dbraw/zinc/53/37/84/528533784.db2.gz HDCCCOHVFPLVSH-LSDHHAIUSA-N 2 1 270.367 3.235 20 0 CGADMP CC[N@@H+](CCOC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411186622 528563131 /nfs/dbraw/zinc/56/31/31/528563131.db2.gz QTEIHPIOVSPRAH-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427101762 528672560 /nfs/dbraw/zinc/67/25/60/528672560.db2.gz QDHYVSSKPAZQHU-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427101762 528672567 /nfs/dbraw/zinc/67/25/67/528672567.db2.gz QDHYVSSKPAZQHU-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423287854 528688777 /nfs/dbraw/zinc/68/87/77/528688777.db2.gz OXRIDCJWAORNMM-CYBMUJFWSA-N 2 1 264.413 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000423295225 528821606 /nfs/dbraw/zinc/82/16/06/528821606.db2.gz DRCZMGPSSXWIPI-HOCLYGCPSA-N 2 1 264.413 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000423300543 528822447 /nfs/dbraw/zinc/82/24/47/528822447.db2.gz RSZTXFJBVYBNPQ-HOCLYGCPSA-N 2 1 264.413 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423301676 528823575 /nfs/dbraw/zinc/82/35/75/528823575.db2.gz UKZJHVNNSXPWBF-YPMHNXCESA-N 2 1 286.366 3.456 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423302565 528824006 /nfs/dbraw/zinc/82/40/06/528824006.db2.gz VSKSCAORUNEGBK-HOTGVXAUSA-N 2 1 261.413 3.030 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[NH+](C)C ZINC000449079205 528855819 /nfs/dbraw/zinc/85/58/19/528855819.db2.gz XUGHSWBTHKBEMZ-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[NH+](C)C ZINC000449079206 528856950 /nfs/dbraw/zinc/85/69/50/528856950.db2.gz XUGHSWBTHKBEMZ-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423292367 528951488 /nfs/dbraw/zinc/95/14/88/528951488.db2.gz MSZLAFZRALARIQ-OAHLLOKOSA-N 2 1 261.413 3.030 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCSc2ccccc21 ZINC000423283169 528955016 /nfs/dbraw/zinc/95/50/16/528955016.db2.gz DRJVFLZJNLMJTK-ZDUSSCGKSA-N 2 1 264.438 3.331 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423275400 529070976 /nfs/dbraw/zinc/07/09/76/529070976.db2.gz NDDDEUPJLAQVDB-ZWNOBZJWSA-N 2 1 290.329 3.219 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(F)cn1 ZINC000352683139 529172082 /nfs/dbraw/zinc/17/20/82/529172082.db2.gz JEPNRGYFVLOHAW-IUODEOHRSA-N 2 1 290.386 3.103 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(OC(F)F)cc1 ZINC000423283710 529173225 /nfs/dbraw/zinc/17/32/25/529173225.db2.gz XIXVEXOUPJHRFY-ZIAGYGMSSA-N 2 1 286.366 3.312 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(F)cn1 ZINC000414188123 529185461 /nfs/dbraw/zinc/18/54/61/529185461.db2.gz QEIVWDVJPDDBAV-OAHLLOKOSA-N 2 1 284.338 3.109 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423279572 529201681 /nfs/dbraw/zinc/20/16/81/529201681.db2.gz RNIUNSLWXCHYPX-KGLIPLIRSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000423527342 529202073 /nfs/dbraw/zinc/20/20/73/529202073.db2.gz MJDOIKUFRBBKDK-CVEARBPZSA-N 2 1 264.388 3.384 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423460570 529257302 /nfs/dbraw/zinc/25/73/02/529257302.db2.gz JCRQIVGWLRYUCP-NEPJUHHUSA-N 2 1 252.427 3.187 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512120305 534947955 /nfs/dbraw/zinc/94/79/55/534947955.db2.gz GBFKXYVZZMFNMK-JZIMQPMSSA-N 2 1 294.389 3.300 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[NH+]1CCCC1 ZINC000129254998 535021941 /nfs/dbraw/zinc/02/19/41/535021941.db2.gz NWHLGSJFFQMOPJ-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000514115092 535510892 /nfs/dbraw/zinc/51/08/92/535510892.db2.gz OHXTULXNRUMCOA-GOSISDBHSA-N 2 1 274.452 3.382 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000483494015 536170434 /nfs/dbraw/zinc/17/04/34/536170434.db2.gz TURGONXKWIICHT-OALUTQOASA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000483494015 536170437 /nfs/dbraw/zinc/17/04/37/536170437.db2.gz TURGONXKWIICHT-OALUTQOASA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000483494015 536170441 /nfs/dbraw/zinc/17/04/41/536170441.db2.gz TURGONXKWIICHT-OALUTQOASA-N 2 1 286.463 3.208 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000382504249 572344654 /nfs/dbraw/zinc/34/46/54/572344654.db2.gz MAVHMVQBUMJTGS-XIRDDKMYSA-N 2 1 258.409 3.117 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379653308 572353063 /nfs/dbraw/zinc/35/30/63/572353063.db2.gz ZKKAMJJUSVXRII-INIZCTEOSA-N 2 1 298.430 3.392 20 0 CGADMP Cc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000189601861 572353705 /nfs/dbraw/zinc/35/37/05/572353705.db2.gz SDDREWHXLUFASJ-ZFWWWQNUSA-N 2 1 288.439 3.158 20 0 CGADMP Cc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000189601861 572353706 /nfs/dbraw/zinc/35/37/06/572353706.db2.gz SDDREWHXLUFASJ-ZFWWWQNUSA-N 2 1 288.439 3.158 20 0 CGADMP Cc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000189601861 572353712 /nfs/dbraw/zinc/35/37/12/572353712.db2.gz SDDREWHXLUFASJ-ZFWWWQNUSA-N 2 1 288.439 3.158 20 0 CGADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+]C1CCCCCCC1 ZINC000252387855 617607162 /nfs/dbraw/zinc/60/71/62/617607162.db2.gz BIHQGZWVNKITEY-HOTGVXAUSA-N 2 1 250.430 3.316 20 0 CGADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+]C1CCCCCCC1 ZINC000252387855 617607171 /nfs/dbraw/zinc/60/71/71/617607171.db2.gz BIHQGZWVNKITEY-HOTGVXAUSA-N 2 1 250.430 3.316 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715044 618145784 /nfs/dbraw/zinc/14/57/84/618145784.db2.gz ABTWUGGVMTVVPG-BHUNQDJPSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715044 618145793 /nfs/dbraw/zinc/14/57/93/618145793.db2.gz ABTWUGGVMTVVPG-BHUNQDJPSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000051919507 618666869 /nfs/dbraw/zinc/66/68/69/618666869.db2.gz JFGNBEKIQABNPJ-CQSZACIVSA-N 2 1 266.454 3.348 20 0 CGADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cn1 ZINC000926548938 618733446 /nfs/dbraw/zinc/73/34/46/618733446.db2.gz CMZMVULPXLKINL-UHFFFAOYSA-N 2 1 289.467 3.299 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000091844766 618737451 /nfs/dbraw/zinc/73/74/51/618737451.db2.gz OABLKCKNFPYXKP-UHFFFAOYSA-N 2 1 286.341 3.407 20 0 CGADMP C[N@@H+](Cc1csc(-c2ccco2)n1)C1CCC([NH3+])CC1 ZINC000091847848 618737656 /nfs/dbraw/zinc/73/76/56/618737656.db2.gz NIXHITNSYGMVLK-UHFFFAOYSA-N 2 1 291.420 3.105 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707683 618832382 /nfs/dbraw/zinc/83/23/82/618832382.db2.gz SCZXKZBDKVCLGS-SZMVWBNQSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707683 618832384 /nfs/dbraw/zinc/83/23/84/618832384.db2.gz SCZXKZBDKVCLGS-SZMVWBNQSA-N 2 1 294.483 3.044 20 0 CGADMP COC1CCC(C[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000892571494 618864773 /nfs/dbraw/zinc/86/47/73/618864773.db2.gz YGONIXKNNYCCID-NUWOQIAWSA-N 2 1 282.472 3.044 20 0 CGADMP COC1CCC(C[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000892571494 618864775 /nfs/dbraw/zinc/86/47/75/618864775.db2.gz YGONIXKNNYCCID-NUWOQIAWSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CCc1ccc(C)c(C)c1 ZINC000893031388 618981344 /nfs/dbraw/zinc/98/13/44/618981344.db2.gz XHKARGDBZNQMOA-UHFFFAOYSA-N 2 1 285.435 3.421 20 0 CGADMP c1sc2ccccc2c1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925600172 619080272 /nfs/dbraw/zinc/08/02/72/619080272.db2.gz GGGPQUMKDASLKP-INIZCTEOSA-N 2 1 286.444 3.318 20 0 CGADMP CCc1ccc([C@H](COC)[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)o1 ZINC000925623494 619094129 /nfs/dbraw/zinc/09/41/29/619094129.db2.gz SBLPCUFHPAQSRT-GUTXKFCHSA-N 2 1 294.439 3.025 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cc2ccccc2o1 ZINC000925643078 619102678 /nfs/dbraw/zinc/10/26/78/619102678.db2.gz DVZJCESYDMYIGS-LYRGGWFBSA-N 2 1 270.376 3.353 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925661898 619116864 /nfs/dbraw/zinc/11/68/64/619116864.db2.gz FEXOJRCKHHBPCQ-GUTXKFCHSA-N 2 1 282.378 3.490 20 0 CGADMP CCSc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000925731115 619202048 /nfs/dbraw/zinc/20/20/48/619202048.db2.gz JUGMFXBMEIZOET-GFCCVEGCSA-N 2 1 287.432 3.457 20 0 CGADMP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000925837120 619288085 /nfs/dbraw/zinc/28/80/85/619288085.db2.gz OAHSKTSRMCPEIF-YESZJQIVSA-N 2 1 287.451 3.099 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC000261561614 619288677 /nfs/dbraw/zinc/28/86/77/619288677.db2.gz GACKSLNGLNBOMX-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000924961903 619463455 /nfs/dbraw/zinc/46/34/55/619463455.db2.gz XDZJNHFPWGOVNE-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP Fc1cc(Cl)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262052394 619613866 /nfs/dbraw/zinc/61/38/66/619613866.db2.gz QIIOTCOSUWUSKV-UHFFFAOYSA-N 2 1 282.790 3.055 20 0 CGADMP Cc1ccc(CC[NH2+]CCCC[N@H+](C)C2CC2)cc1C ZINC000894807324 619640465 /nfs/dbraw/zinc/64/04/65/619640465.db2.gz SFPWQCFWAQRWJM-UHFFFAOYSA-N 2 1 274.452 3.310 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000894858040 619655804 /nfs/dbraw/zinc/65/58/04/619655804.db2.gz AYIWQFSDEXJRDJ-INIZCTEOSA-N 2 1 289.467 3.102 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000262123876 619729751 /nfs/dbraw/zinc/72/97/51/619729751.db2.gz XOJCMMDOTAJNOY-OWOJBTEDSA-N 2 1 292.373 3.054 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000895587505 619854996 /nfs/dbraw/zinc/85/49/96/619854996.db2.gz XBAJKSYXQUWKQD-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP COc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000895862152 619895266 /nfs/dbraw/zinc/89/52/66/619895266.db2.gz VQURHGQMNUTIQR-UHFFFAOYSA-N 2 1 294.439 3.088 20 0 CGADMP Cc1cc[nH+]c(NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000896256747 619979921 /nfs/dbraw/zinc/97/99/21/619979921.db2.gz YRSRLOKYUUBJGM-UHFFFAOYSA-N 2 1 259.397 3.209 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC(C)(C)CO2)CC1(C)C ZINC000897473946 620343855 /nfs/dbraw/zinc/34/38/55/620343855.db2.gz IPFRJWUBJLUOSU-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000897882130 620443129 /nfs/dbraw/zinc/44/31/29/620443129.db2.gz JMFGRVVUZPFBMT-VIRABCJISA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000897882130 620443130 /nfs/dbraw/zinc/44/31/30/620443130.db2.gz JMFGRVVUZPFBMT-VIRABCJISA-N 2 1 294.389 3.283 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1C ZINC000897984822 620462284 /nfs/dbraw/zinc/46/22/84/620462284.db2.gz HQBONAPDRDPXAN-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP C1=CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000898032475 620470133 /nfs/dbraw/zinc/47/01/33/620470133.db2.gz RNBQCBNRYIHQQS-HNNXBMFYSA-N 2 1 262.441 3.339 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@@H+]1CCCC[C@@H]1C ZINC000924661281 620557739 /nfs/dbraw/zinc/55/77/39/620557739.db2.gz OEVGHVBSMDQJQC-BLNMRFBMSA-N 2 1 282.497 3.266 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@H+]1CCCC[C@@H]1C ZINC000924661281 620557741 /nfs/dbraw/zinc/55/77/41/620557741.db2.gz OEVGHVBSMDQJQC-BLNMRFBMSA-N 2 1 282.497 3.266 20 0 CGADMP CCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000924715555 620573397 /nfs/dbraw/zinc/57/33/97/620573397.db2.gz VQJMJQCSSHGVFP-CSRJKQTDSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC2(C)C)C1 ZINC000902446389 621314532 /nfs/dbraw/zinc/31/45/32/621314532.db2.gz SWWSQHSVIWKKNZ-OAGGEKHMSA-N 2 1 287.451 3.004 20 0 CGADMP COc1ccccc1[C@@H]([NH2+]CC1([NH3+])CC1)C1CCCC1 ZINC000902413974 621323876 /nfs/dbraw/zinc/32/38/76/621323876.db2.gz QKZRENMRKOMHOM-INIZCTEOSA-N 2 1 274.408 3.007 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000902727687 621413866 /nfs/dbraw/zinc/41/38/66/621413866.db2.gz AKMIXVMMLXNWBR-FZKQIMNGSA-N 2 1 288.435 3.002 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902832768 621466370 /nfs/dbraw/zinc/46/63/70/621466370.db2.gz ZVBFGPFPGGOKMU-HOTGVXAUSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903068743 621568366 /nfs/dbraw/zinc/56/83/66/621568366.db2.gz LVEVYTXCVBPSEA-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC2(c3ccccc3)CC2)CC[N@H+]1C ZINC000903170070 621618828 /nfs/dbraw/zinc/61/88/28/621618828.db2.gz CSLHWYVGCLQUAH-DOTOQJQBSA-N 2 1 272.436 3.181 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000903283765 621651456 /nfs/dbraw/zinc/65/14/56/621651456.db2.gz MYGAWMKKUKOQAY-CBBWQLFWSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381894 621723756 /nfs/dbraw/zinc/72/37/56/621723756.db2.gz AYLKORRNPGIMPS-DOTOQJQBSA-N 2 1 277.456 3.489 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000903430247 621744037 /nfs/dbraw/zinc/74/40/37/621744037.db2.gz QZJZKBQRDWCASF-OIISXLGYSA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903421578 621750221 /nfs/dbraw/zinc/75/02/21/621750221.db2.gz VUHYTTGRTNWDDP-MAUKXSAKSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1F ZINC000903459391 621752278 /nfs/dbraw/zinc/75/22/78/621752278.db2.gz IEXCJJCELINCJK-ZDUSSCGKSA-N 2 1 294.389 3.237 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903450455 621760170 /nfs/dbraw/zinc/76/01/70/621760170.db2.gz WFXPXCKGNSLNKA-AWEZNQCLSA-N 2 1 278.465 3.359 20 0 CGADMP N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1c1ccccc1 ZINC000903452870 621761133 /nfs/dbraw/zinc/76/11/33/621761133.db2.gz TWYHMSCGVWXWIE-ZWKOTPCHSA-N 2 1 291.398 3.095 20 0 CGADMP N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1c1ccccc1 ZINC000903452870 621761138 /nfs/dbraw/zinc/76/11/38/621761138.db2.gz TWYHMSCGVWXWIE-ZWKOTPCHSA-N 2 1 291.398 3.095 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903728650 621796701 /nfs/dbraw/zinc/79/67/01/621796701.db2.gz DCIFJUQHOLVVFS-NVXWUHKLSA-N 2 1 288.435 3.222 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1CF)C1CCCCC1 ZINC000903753695 621800212 /nfs/dbraw/zinc/80/02/12/621800212.db2.gz WXCMNZLIENRAOL-MRXNPFEDSA-N 2 1 264.388 3.153 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H]2CCCC[NH2+]C2)s1 ZINC000903739102 621800986 /nfs/dbraw/zinc/80/09/86/621800986.db2.gz BYFYOCUMUVSADE-GXTWGEPZSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)s1 ZINC000903739102 621800987 /nfs/dbraw/zinc/80/09/87/621800987.db2.gz BYFYOCUMUVSADE-GXTWGEPZSA-N 2 1 281.469 3.142 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1CF)CC[NH2+]CC2 ZINC000903764028 621802954 /nfs/dbraw/zinc/80/29/54/621802954.db2.gz OSNOFXVGILPTBG-CQSZACIVSA-N 2 1 276.399 3.120 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2)CCC1 ZINC000903816495 621809659 /nfs/dbraw/zinc/80/96/59/621809659.db2.gz YVQCEMOUBCEHHJ-MRXNPFEDSA-N 2 1 294.389 3.448 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)CCC1 ZINC000903816495 621809661 /nfs/dbraw/zinc/80/96/61/621809661.db2.gz YVQCEMOUBCEHHJ-MRXNPFEDSA-N 2 1 294.389 3.448 20 0 CGADMP C[C@H]1CCC[C@@H](CC[N@H+]2CC[NH2+]CCC23CCOCC3)C1 ZINC000903818108 621810928 /nfs/dbraw/zinc/81/09/28/621810928.db2.gz WVYXUDJSOKEPLW-IRXDYDNUSA-N 2 1 294.483 3.047 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903892585 621827325 /nfs/dbraw/zinc/82/73/25/621827325.db2.gz UZRTYEKYXOCJBM-YZDRTPDPSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCc2ccccc21 ZINC000903932025 621834781 /nfs/dbraw/zinc/83/47/81/621834781.db2.gz LISKYHLVXSCIGY-DUZACMNTSA-N 2 1 284.447 3.179 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@]2(C)CCC[NH2+]C2)s1 ZINC000904318825 621905204 /nfs/dbraw/zinc/90/52/04/621905204.db2.gz XDUSHPXEVLZUEW-SWLSCSKDSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)s1 ZINC000904318825 621905208 /nfs/dbraw/zinc/90/52/08/621905208.db2.gz XDUSHPXEVLZUEW-SWLSCSKDSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410844 621918912 /nfs/dbraw/zinc/91/89/12/621918912.db2.gz IZDIRTZNDLWNCV-TZMCWYRMSA-N 2 1 272.392 3.158 20 0 CGADMP Cc1[nH+]c(N)ccc1-c1cccc(C[NH+]2CCCC2)c1 ZINC000904767034 621979548 /nfs/dbraw/zinc/97/95/48/621979548.db2.gz MWARSEQCHPAJNC-UHFFFAOYSA-N 2 1 267.376 3.235 20 0 CGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccnc(Cl)c2)C1 ZINC000151123017 622732403 /nfs/dbraw/zinc/73/24/03/622732403.db2.gz OPTFBKWZNYSVAU-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000151123017 622732405 /nfs/dbraw/zinc/73/24/05/622732405.db2.gz OPTFBKWZNYSVAU-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000151123017 622732410 /nfs/dbraw/zinc/73/24/10/622732410.db2.gz OPTFBKWZNYSVAU-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000226391649 622965892 /nfs/dbraw/zinc/96/58/92/622965892.db2.gz DKDNFNYAFOVZAV-INIZCTEOSA-N 2 1 282.472 3.188 20 0 CGADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)SC ZINC000229622795 623149730 /nfs/dbraw/zinc/14/97/30/623149730.db2.gz ZKXWDIYJIDYGMM-UONOGXRCSA-N 2 1 270.486 3.125 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCCSC1)C1CCCCC1 ZINC000061588731 623161308 /nfs/dbraw/zinc/16/13/08/623161308.db2.gz PJDFUDMHPSWWDT-CQSZACIVSA-N 2 1 270.486 3.126 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2CCCCCCC[NH3+])no1 ZINC000842471718 623455043 /nfs/dbraw/zinc/45/50/43/623455043.db2.gz VCAFQTQEVDBNMR-OAHLLOKOSA-N 2 1 265.401 3.029 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000840778001 625664124 /nfs/dbraw/zinc/66/41/24/625664124.db2.gz CTJWISVIGYJNQS-NSHDSACASA-N 2 1 284.363 3.044 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000152422170 623657233 /nfs/dbraw/zinc/65/72/33/623657233.db2.gz MHTPWPIHDHUISB-GJZGRUSLSA-N 2 1 288.435 3.220 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000252440186 624881598 /nfs/dbraw/zinc/88/15/98/624881598.db2.gz YBUGVETWZCQUIQ-LTIDMASMSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922667234 626028732 /nfs/dbraw/zinc/02/87/32/626028732.db2.gz JQBNIYMRXLWMKF-FVQBIDKESA-N 2 1 276.399 3.412 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000086939110 626140774 /nfs/dbraw/zinc/14/07/74/626140774.db2.gz BMPPIGISNMWERD-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP C(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923316028 626145178 /nfs/dbraw/zinc/14/51/78/626145178.db2.gz DAJIOQKZDAWNLC-QHEDDYRISA-N 2 1 294.508 3.267 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC[NH2+]C1CC1 ZINC000923316200 626145209 /nfs/dbraw/zinc/14/52/09/626145209.db2.gz NJAKNSAPIQPOJB-GOEBONIOSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)C1(F)F ZINC000923397994 626151043 /nfs/dbraw/zinc/15/10/43/626151043.db2.gz ICTKYKRCMPMOBW-AXOHJZAGSA-N 2 1 286.410 3.130 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C(F)(F)F ZINC000923425205 626152177 /nfs/dbraw/zinc/15/21/77/626152177.db2.gz JRUTTYPCBVHIGF-CHWSQXEVSA-N 2 1 290.373 3.026 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000923480132 626156888 /nfs/dbraw/zinc/15/68/88/626156888.db2.gz VUEXNUUNWAZLKQ-SECBINFHSA-N 2 1 291.197 3.303 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000923480132 626156894 /nfs/dbraw/zinc/15/68/94/626156894.db2.gz VUEXNUUNWAZLKQ-SECBINFHSA-N 2 1 291.197 3.303 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000923484154 626157226 /nfs/dbraw/zinc/15/72/26/626157226.db2.gz WSMJZIQOXRFXTH-OAHLLOKOSA-N 2 1 297.402 3.045 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923502706 626158306 /nfs/dbraw/zinc/15/83/06/626158306.db2.gz DPAKMUJYSCFYSC-NEPJUHHUSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519578 626160605 /nfs/dbraw/zinc/16/06/05/626160605.db2.gz UJRXJPSSEPDGBA-ZOCIIQOWSA-N 2 1 280.415 3.442 20 0 CGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517565 626160676 /nfs/dbraw/zinc/16/06/76/626160676.db2.gz FBVYWBBHVXOAKX-BHYGNILZSA-N 2 1 280.415 3.442 20 0 CGADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000923525359 626161172 /nfs/dbraw/zinc/16/11/72/626161172.db2.gz FVRBBFLPWISQTQ-FFHGMXDLSA-N 2 1 286.410 3.274 20 0 CGADMP C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923532042 626161470 /nfs/dbraw/zinc/16/14/70/626161470.db2.gz XRRMPFJKVGQSRU-IUODEOHRSA-N 2 1 298.883 3.408 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000840808302 626179689 /nfs/dbraw/zinc/17/96/89/626179689.db2.gz BAHWHYHDDBUQLZ-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP c1ccc(CSCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000754785233 626587341 /nfs/dbraw/zinc/58/73/41/626587341.db2.gz JRUCVGJSUVYPGJ-SJORKVTESA-N 2 1 290.476 3.136 20 0 CGADMP Cc1cccc2c1CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000760838291 626996099 /nfs/dbraw/zinc/99/60/99/626996099.db2.gz XXESOEPABPVCDO-KRWDZBQOSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000760838291 626996101 /nfs/dbraw/zinc/99/61/01/626996101.db2.gz XXESOEPABPVCDO-KRWDZBQOSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000760838291 626996103 /nfs/dbraw/zinc/99/61/03/626996103.db2.gz XXESOEPABPVCDO-KRWDZBQOSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000760838291 626996105 /nfs/dbraw/zinc/99/61/05/626996105.db2.gz XXESOEPABPVCDO-KRWDZBQOSA-N 2 1 272.436 3.228 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCc3nc(C)sc32)CC1 ZINC000764638719 627216045 /nfs/dbraw/zinc/21/60/45/627216045.db2.gz LOHZEGWODFRNSR-HNNXBMFYSA-N 2 1 293.480 3.293 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000764805561 627225377 /nfs/dbraw/zinc/22/53/77/627225377.db2.gz FPDBSUSOFMXTLF-OAHLLOKOSA-N 2 1 278.440 3.466 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000764805561 627225378 /nfs/dbraw/zinc/22/53/78/627225378.db2.gz FPDBSUSOFMXTLF-OAHLLOKOSA-N 2 1 278.440 3.466 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000764882043 627231598 /nfs/dbraw/zinc/23/15/98/627231598.db2.gz BFLIQYMSZSXYBK-RDTXWAMCSA-N 2 1 270.420 3.056 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(OC)ccc32)C1 ZINC000765518100 627256380 /nfs/dbraw/zinc/25/63/80/627256380.db2.gz XIWLTNSJKRPLNL-AWEZNQCLSA-N 2 1 299.418 3.021 20 0 CGADMP COc1ccc2c(NCCCn3cc[nH+]c3C)cc[nH+]c2c1 ZINC000765518612 627256416 /nfs/dbraw/zinc/25/64/16/627256416.db2.gz YEYRSSVDEVRLTR-UHFFFAOYSA-N 2 1 296.374 3.251 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000765758363 627269174 /nfs/dbraw/zinc/26/91/74/627269174.db2.gz KLPCZDLGFLKPLJ-NWDGAFQWSA-N 2 1 292.814 3.227 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000769486670 627558993 /nfs/dbraw/zinc/55/89/93/627558993.db2.gz VGFSZFMDVMZTKE-DZGCQCFKSA-N 2 1 295.858 3.206 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000769486670 627558995 /nfs/dbraw/zinc/55/89/95/627558995.db2.gz VGFSZFMDVMZTKE-DZGCQCFKSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000769486670 627558996 /nfs/dbraw/zinc/55/89/96/627558996.db2.gz VGFSZFMDVMZTKE-DZGCQCFKSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000769486670 627558998 /nfs/dbraw/zinc/55/89/98/627558998.db2.gz VGFSZFMDVMZTKE-DZGCQCFKSA-N 2 1 295.858 3.206 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(CF)cc3)CC[C@H]21 ZINC000777599935 628287563 /nfs/dbraw/zinc/28/75/63/628287563.db2.gz MOLZQYNEXKERHK-IAGOWNOFSA-N 2 1 276.399 3.072 20 0 CGADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000781415586 628558875 /nfs/dbraw/zinc/55/88/75/628558875.db2.gz BPMSYDGWOPZHIJ-GXTWGEPZSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000781415586 628558876 /nfs/dbraw/zinc/55/88/76/628558876.db2.gz BPMSYDGWOPZHIJ-GXTWGEPZSA-N 2 1 293.480 3.194 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782183361 628621516 /nfs/dbraw/zinc/62/15/16/628621516.db2.gz YZNLZTUZPDQHGJ-WBMJQRKESA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782183361 628621517 /nfs/dbraw/zinc/62/15/17/628621517.db2.gz YZNLZTUZPDQHGJ-WBMJQRKESA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000788481093 629058124 /nfs/dbraw/zinc/05/81/24/629058124.db2.gz PZPNDTXMGROOQZ-UHFFFAOYSA-N 2 1 278.827 3.040 20 0 CGADMP C[C@@H]([NH3+])C[N@H+](C)CCCc1c(Cl)cccc1Cl ZINC000863651744 629632767 /nfs/dbraw/zinc/63/27/67/629632767.db2.gz LOTSCJOBLPIRNK-SNVBAGLBSA-N 2 1 275.223 3.205 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCc1c(Cl)cccc1Cl ZINC000863651744 629632774 /nfs/dbraw/zinc/63/27/74/629632774.db2.gz LOTSCJOBLPIRNK-SNVBAGLBSA-N 2 1 275.223 3.205 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cn1 ZINC000800968899 630314320 /nfs/dbraw/zinc/31/43/20/630314320.db2.gz XSIYZRVRHQDPJX-DLBZAZTESA-N 2 1 296.418 3.244 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC(C)(C)C)C[C@@H]1C ZINC000801925019 630367261 /nfs/dbraw/zinc/36/72/61/630367261.db2.gz YHWNKUSEENYDGR-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC(C)(C)C)C[C@@H]1C ZINC000801925019 630367264 /nfs/dbraw/zinc/36/72/64/630367264.db2.gz YHWNKUSEENYDGR-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC(C)(C)C)C[C@@H]1C ZINC000801925019 630367268 /nfs/dbraw/zinc/36/72/68/630367268.db2.gz YHWNKUSEENYDGR-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCC1 ZINC000806131172 630546350 /nfs/dbraw/zinc/54/63/50/630546350.db2.gz HTSLBXGYHBZVLT-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817897575 632231781 /nfs/dbraw/zinc/23/17/81/632231781.db2.gz SDDOJNFKHXAQMO-RRQGHBQHSA-N 2 1 276.399 3.144 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000817959151 632254789 /nfs/dbraw/zinc/25/47/89/632254789.db2.gz PUFKEAOTPOSIRE-HIFRSBDPSA-N 2 1 264.413 3.109 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817973588 632266728 /nfs/dbraw/zinc/26/67/28/632266728.db2.gz VJUIFJGJMURIBA-ZANVPECISA-N 2 1 286.391 3.316 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000818330598 632306299 /nfs/dbraw/zinc/30/62/99/632306299.db2.gz BZERCDILWSEMKU-VXGBXAGGSA-N 2 1 279.255 3.068 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866250330 633045897 /nfs/dbraw/zinc/04/58/97/633045897.db2.gz YNELVDOMUWAVMQ-GHMZBOCLSA-N 2 1 295.814 3.472 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1)C[NH+](C)C ZINC000866364372 633102937 /nfs/dbraw/zinc/10/29/37/633102937.db2.gz NQNYZLSAEUIZLJ-MNOVXSKESA-N 2 1 295.814 3.330 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CCC1 ZINC000823676420 633135639 /nfs/dbraw/zinc/13/56/39/633135639.db2.gz BNAYFMJXGOMFJZ-MRXNPFEDSA-N 2 1 284.407 3.244 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000866532530 633177046 /nfs/dbraw/zinc/17/70/46/633177046.db2.gz BPDDRXVEQZNVKA-ZOBORPQBSA-N 2 1 290.373 3.203 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866562599 633193780 /nfs/dbraw/zinc/19/37/80/633193780.db2.gz UEJDTDFWJUDAOD-CRAIPNDOSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866562599 633193783 /nfs/dbraw/zinc/19/37/83/633193783.db2.gz UEJDTDFWJUDAOD-CRAIPNDOSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1C[C@H](NCc2ccc(C(C)(C)C)o2)CC[N@H+]1C ZINC000866574178 633201073 /nfs/dbraw/zinc/20/10/73/633201073.db2.gz QGOWJOVRGNTBII-CHWSQXEVSA-N 2 1 264.413 3.149 20 0 CGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000866610687 633211151 /nfs/dbraw/zinc/21/11/51/633211151.db2.gz VIWDVYOUTGSWLW-ZIAGYGMSSA-N 2 1 288.357 3.100 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2F)C1 ZINC000866703871 633234368 /nfs/dbraw/zinc/23/43/68/633234368.db2.gz PINREPWJFVRCQV-MRXNPFEDSA-N 2 1 264.388 3.023 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866715726 633235683 /nfs/dbraw/zinc/23/56/83/633235683.db2.gz FJFQIGWHBNMJBG-WMZOPIPTSA-N 2 1 288.435 3.048 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@]1(C)CC1(Cl)Cl ZINC000827899104 633532671 /nfs/dbraw/zinc/53/26/71/633532671.db2.gz AJAPZUKOQHSIJT-OLZOCXBDSA-N 2 1 293.282 3.377 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@]1(C)CC1(Cl)Cl ZINC000827899104 633532677 /nfs/dbraw/zinc/53/26/77/633532677.db2.gz AJAPZUKOQHSIJT-OLZOCXBDSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@]1(C)CC1(Cl)Cl ZINC000827899104 633532680 /nfs/dbraw/zinc/53/26/80/633532680.db2.gz AJAPZUKOQHSIJT-OLZOCXBDSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@]1(C)CC1(Cl)Cl ZINC000827899104 633532681 /nfs/dbraw/zinc/53/26/81/633532681.db2.gz AJAPZUKOQHSIJT-OLZOCXBDSA-N 2 1 293.282 3.377 20 0 CGADMP C[C@@H]1Cc2[nH+]cn(CCCCCCC[NH3+])c2C[C@H]1C ZINC000830409380 633860815 /nfs/dbraw/zinc/86/08/15/633860815.db2.gz NSIFXXJNAJMPSW-ZIAGYGMSSA-N 2 1 263.429 3.163 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCCOC1 ZINC000872023631 633944673 /nfs/dbraw/zinc/94/46/73/633944673.db2.gz UIGFZWBTJOJJFJ-KSZLIROESA-N 2 1 296.499 3.293 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ncccc23)CC1(C)C ZINC000872123238 634045231 /nfs/dbraw/zinc/04/52/31/634045231.db2.gz NMKXXLZGLUMNHG-OAHLLOKOSA-N 2 1 283.419 3.197 20 0 CGADMP Clc1ncsc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000872143565 634064477 /nfs/dbraw/zinc/06/44/77/634064477.db2.gz STZGUAXTKLLRMX-NWDGAFQWSA-N 2 1 299.871 3.008 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])s1 ZINC000873282575 634316803 /nfs/dbraw/zinc/31/68/03/634316803.db2.gz VNCHGBWEHZATJZ-NEPJUHHUSA-N 2 1 252.427 3.015 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3ncccc23)CC1 ZINC000877458246 635044507 /nfs/dbraw/zinc/04/45/07/635044507.db2.gz NGFIJFVWKNPAHK-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP COc1cccc2cc(C[NH2+][C@@H](C[NH3+])C3CCCC3)oc21 ZINC000841086180 635119543 /nfs/dbraw/zinc/11/95/43/635119543.db2.gz FUFMHQVBHLQRCX-HNNXBMFYSA-N 2 1 288.391 3.049 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000877738845 635172479 /nfs/dbraw/zinc/17/24/79/635172479.db2.gz DHIYJXUDMNZEGC-CABCVRRESA-N 2 1 280.362 3.150 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000877738845 635172483 /nfs/dbraw/zinc/17/24/83/635172483.db2.gz DHIYJXUDMNZEGC-CABCVRRESA-N 2 1 280.362 3.150 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000877738845 635172487 /nfs/dbraw/zinc/17/24/87/635172487.db2.gz DHIYJXUDMNZEGC-CABCVRRESA-N 2 1 280.362 3.150 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000877738845 635172491 /nfs/dbraw/zinc/17/24/91/635172491.db2.gz DHIYJXUDMNZEGC-CABCVRRESA-N 2 1 280.362 3.150 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743631 635180234 /nfs/dbraw/zinc/18/02/34/635180234.db2.gz LQBBGCXWKSKKKG-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743631 635180237 /nfs/dbraw/zinc/18/02/37/635180237.db2.gz LQBBGCXWKSKKKG-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877743631 635180243 /nfs/dbraw/zinc/18/02/43/635180243.db2.gz LQBBGCXWKSKKKG-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877743631 635180247 /nfs/dbraw/zinc/18/02/47/635180247.db2.gz LQBBGCXWKSKKKG-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC000930173666 635359542 /nfs/dbraw/zinc/35/95/42/635359542.db2.gz KLJCZMHVWQLGAX-INIZCTEOSA-N 2 1 292.467 3.038 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC000930173666 635359547 /nfs/dbraw/zinc/35/95/47/635359547.db2.gz KLJCZMHVWQLGAX-INIZCTEOSA-N 2 1 292.467 3.038 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC1(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000878126659 635368536 /nfs/dbraw/zinc/36/85/36/635368536.db2.gz WPSVKPNJDPVOFL-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC[C@H]1CCCC1(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000878126659 635368538 /nfs/dbraw/zinc/36/85/38/635368538.db2.gz WPSVKPNJDPVOFL-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC[C@H]1CCCC1(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126659 635368543 /nfs/dbraw/zinc/36/85/43/635368543.db2.gz WPSVKPNJDPVOFL-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000842471887 635375800 /nfs/dbraw/zinc/37/58/00/635375800.db2.gz FEAWMYZISCZJKX-KRWDZBQOSA-N 2 1 276.424 3.438 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148010 635377490 /nfs/dbraw/zinc/37/74/90/635377490.db2.gz LKQHZYQSPHYHTP-HZPDHXFCSA-N 2 1 296.499 3.244 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1F ZINC000842472763 635378538 /nfs/dbraw/zinc/37/85/38/635378538.db2.gz KDZGNCBDKGLEOK-MLGOLLRUSA-N 2 1 280.362 3.101 20 0 CGADMP CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000842473253 635378703 /nfs/dbraw/zinc/37/87/03/635378703.db2.gz RZRMNVYEFXTRAI-GVDBMIGSSA-N 2 1 296.499 3.421 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC(C)(C)O2)C[C@@H]1C ZINC000878164030 635387716 /nfs/dbraw/zinc/38/77/16/635387716.db2.gz ZIDJWCJDTBZOHZ-HRCADAONSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC(C)(C)O2)C[C@@H]1C ZINC000878164030 635387726 /nfs/dbraw/zinc/38/77/26/635387726.db2.gz ZIDJWCJDTBZOHZ-HRCADAONSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCC(C)(C)O2)C[C@@H]1C ZINC000878164030 635387733 /nfs/dbraw/zinc/38/77/33/635387733.db2.gz ZIDJWCJDTBZOHZ-HRCADAONSA-N 2 1 282.472 3.139 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CC[C@@H]1CCCC1(F)F)CC2 ZINC000878340602 635466151 /nfs/dbraw/zinc/46/61/51/635466151.db2.gz XWDSALJDCAXIND-AWEZNQCLSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CC[C@@H]1CCCC1(F)F)CC2 ZINC000878340602 635466154 /nfs/dbraw/zinc/46/61/54/635466154.db2.gz XWDSALJDCAXIND-AWEZNQCLSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@@H+](Cc1cc(Cl)nc(Cl)c1)C1CCC([NH3+])CC1 ZINC000843355005 635652282 /nfs/dbraw/zinc/65/22/82/635652282.db2.gz IRLCKKFJZVXZHS-UHFFFAOYSA-N 2 1 288.222 3.090 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)CC(C)(C)C ZINC000879581306 635815783 /nfs/dbraw/zinc/81/57/83/635815783.db2.gz XXJSISGAEBUVHE-ZNMIVQPWSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)CC(C)(C)C ZINC000879581306 635815784 /nfs/dbraw/zinc/81/57/84/635815784.db2.gz XXJSISGAEBUVHE-ZNMIVQPWSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)CC(C)(C)C ZINC000879581306 635815788 /nfs/dbraw/zinc/81/57/88/635815788.db2.gz XXJSISGAEBUVHE-ZNMIVQPWSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)CC(C)(C)C ZINC000879581306 635815790 /nfs/dbraw/zinc/81/57/90/635815790.db2.gz XXJSISGAEBUVHE-ZNMIVQPWSA-N 2 1 252.446 3.085 20 0 CGADMP CCCCOCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948752 635885725 /nfs/dbraw/zinc/88/57/25/635885725.db2.gz KSGOETAFXBVPQS-UHFFFAOYSA-N 2 1 282.472 3.144 20 0 CGADMP CC(C)n1nccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516896 636013628 /nfs/dbraw/zinc/01/36/28/636013628.db2.gz CQCVPDQJPJAECD-UHFFFAOYSA-N 2 1 292.471 3.162 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1Br ZINC000128976978 636106088 /nfs/dbraw/zinc/10/60/88/636106088.db2.gz LDDKWPKFPTYGAN-RYUDHWBXSA-N 2 1 297.240 3.242 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(OC(F)F)c1 ZINC000846218890 636162140 /nfs/dbraw/zinc/16/21/40/636162140.db2.gz XQPGPYKIVQXWDU-UHFFFAOYSA-N 2 1 286.366 3.239 20 0 CGADMP Cc1ccccc1[C@H]1C[N@@H+](CCCCCC[NH3+])[C@H](C)CO1 ZINC000846219621 636162578 /nfs/dbraw/zinc/16/25/78/636162578.db2.gz UENCNYKXXQBQKF-SJLPKXTDSA-N 2 1 290.451 3.276 20 0 CGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000846220662 636163016 /nfs/dbraw/zinc/16/30/16/636163016.db2.gz TVCVQJWBYLZGLZ-SFHVURJKSA-N 2 1 289.467 3.409 20 0 CGADMP CC(C)c1c[nH]c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000882891906 636448708 /nfs/dbraw/zinc/44/87/08/636448708.db2.gz IDUKQMPEMVQKMA-HNNXBMFYSA-N 2 1 292.471 3.277 20 0 CGADMP Cc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c(Cl)n1 ZINC000883292948 636654872 /nfs/dbraw/zinc/65/48/72/636654872.db2.gz DWGXQMUODRVXAN-ZDUSSCGKSA-N 2 1 281.831 3.006 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000883327383 636677277 /nfs/dbraw/zinc/67/72/77/636677277.db2.gz XQLYUVUWUBSWCP-BPUTZDHNSA-N 2 1 294.826 3.008 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000883327383 636677281 /nfs/dbraw/zinc/67/72/81/636677281.db2.gz XQLYUVUWUBSWCP-BPUTZDHNSA-N 2 1 294.826 3.008 20 0 CGADMP Fc1cccc(/C=C/C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000885911600 637310826 /nfs/dbraw/zinc/31/08/26/637310826.db2.gz ZNKNJIXLXXHDRZ-DUXPYHPUSA-N 2 1 274.383 3.055 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000886040723 637381451 /nfs/dbraw/zinc/38/14/51/637381451.db2.gz BTAYPKHDXPNBPU-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081243 637403242 /nfs/dbraw/zinc/40/32/42/637403242.db2.gz KPANOXNRHUVVPQ-KCITZHQASA-N 2 1 288.479 3.371 20 0 CGADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081243 637403244 /nfs/dbraw/zinc/40/32/44/637403244.db2.gz KPANOXNRHUVVPQ-KCITZHQASA-N 2 1 288.479 3.371 20 0 CGADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081243 637403251 /nfs/dbraw/zinc/40/32/51/637403251.db2.gz KPANOXNRHUVVPQ-KCITZHQASA-N 2 1 288.479 3.371 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000886162396 637443415 /nfs/dbraw/zinc/44/34/15/637443415.db2.gz OMHIOKNENHPXQE-SOLBZPMBSA-N 2 1 294.483 3.331 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000886162396 637443419 /nfs/dbraw/zinc/44/34/19/637443419.db2.gz OMHIOKNENHPXQE-SOLBZPMBSA-N 2 1 294.483 3.331 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCc2cccnc21)C(C)(C)C ZINC000886528182 637555263 /nfs/dbraw/zinc/55/52/63/637555263.db2.gz IHFAMYNVSPGSQV-HUUCEWRRSA-N 2 1 275.440 3.025 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886612972 637604684 /nfs/dbraw/zinc/60/46/84/637604684.db2.gz ZQAGXADJCKBQRO-OWCLPIDISA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886612972 637604694 /nfs/dbraw/zinc/60/46/94/637604694.db2.gz ZQAGXADJCKBQRO-OWCLPIDISA-N 2 1 270.461 3.044 20 0 CGADMP CCOC1CC(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)C1 ZINC000886661010 637639400 /nfs/dbraw/zinc/63/94/00/637639400.db2.gz KIBFMJWILYXQQR-UHFFFAOYSA-N 2 1 291.439 3.021 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(C)cn3)CC2)[nH+]c1C ZINC000886664768 637641206 /nfs/dbraw/zinc/64/12/06/637641206.db2.gz XHVQPGDIFFUPEV-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000886860330 637715827 /nfs/dbraw/zinc/71/58/27/637715827.db2.gz ZXRHVOYJXBTNNX-ZIAGYGMSSA-N 2 1 294.389 3.144 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000221909136 637765945 /nfs/dbraw/zinc/76/59/45/637765945.db2.gz KIJZGPXLWALOEA-AWEZNQCLSA-N 2 1 266.404 3.077 20 0 CGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924538272 638355607 /nfs/dbraw/zinc/35/56/07/638355607.db2.gz UNDNXMITKWGQBR-OOKSDGMUSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000924685387 638388686 /nfs/dbraw/zinc/38/86/86/638388686.db2.gz IPAPKGSKQZZABU-DLBZAZTESA-N 2 1 289.467 3.257 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924958281 638430266 /nfs/dbraw/zinc/43/02/66/638430266.db2.gz DSRKXWZPVKDMOJ-KLHKWILBSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925120592 638456648 /nfs/dbraw/zinc/45/66/48/638456648.db2.gz KTFWERLWBFGELR-DUQJVZAFSA-N 2 1 294.483 3.187 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925517333 638516573 /nfs/dbraw/zinc/51/65/73/638516573.db2.gz NQFFHOWSSQIOPN-RHSMWYFYSA-N 2 1 288.435 3.063 20 0 CGADMP CC1(C)[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925586306 638537387 /nfs/dbraw/zinc/53/73/87/638537387.db2.gz ZGGLUMWOHAASLD-WXHSDQCUSA-N 2 1 284.856 3.268 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1 ZINC000925686489 638568865 /nfs/dbraw/zinc/56/88/65/638568865.db2.gz VCSBHGWLQYJASQ-BXUZGUMPSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccccc1 ZINC000925709903 638574971 /nfs/dbraw/zinc/57/49/71/638574971.db2.gz VINJXGHIUNPOOZ-NUEKZKHPSA-N 2 1 290.476 3.198 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)CC(F)F)c1ccccc1 ZINC000925734320 638588224 /nfs/dbraw/zinc/58/82/24/638588224.db2.gz QLVJPXQNHFJVDD-SMDDNHRTSA-N 2 1 270.367 3.346 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751912 638596855 /nfs/dbraw/zinc/59/68/55/638596855.db2.gz QXORWNBNBOGTHT-OUCADQQQSA-N 2 1 293.480 3.175 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925781000 638612393 /nfs/dbraw/zinc/61/23/93/638612393.db2.gz HAHSUMLHDQKBNJ-WCQYABFASA-N 2 1 298.377 3.128 20 0 CGADMP C[C@H]([NH2+]CCC1(c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000925804616 638617817 /nfs/dbraw/zinc/61/78/17/638617817.db2.gz KPQBPYPLJCSTQE-AWEZNQCLSA-N 2 1 281.403 3.267 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925807721 638619550 /nfs/dbraw/zinc/61/95/50/638619550.db2.gz WTHDKCRUDWCVNY-MJBXVCDLSA-N 2 1 261.413 3.002 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000858090781 638625115 /nfs/dbraw/zinc/62/51/15/638625115.db2.gz REQKLSKEOSONIB-AWEZNQCLSA-N 2 1 264.388 3.097 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000858090781 638625119 /nfs/dbraw/zinc/62/51/19/638625119.db2.gz REQKLSKEOSONIB-AWEZNQCLSA-N 2 1 264.388 3.097 20 0 CGADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925832325 638625835 /nfs/dbraw/zinc/62/58/35/638625835.db2.gz OAQXHVZMNUFWMZ-XQLPTFJDSA-N 2 1 298.352 3.268 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490591 638741179 /nfs/dbraw/zinc/74/11/79/638741179.db2.gz KCKVANQBDWEMLT-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(OC)n1 ZINC000926558405 638785375 /nfs/dbraw/zinc/78/53/75/638785375.db2.gz IEFBAPLDCSNFIP-OAHLLOKOSA-N 2 1 291.439 3.005 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2C)CC1 ZINC000929777695 638949683 /nfs/dbraw/zinc/94/96/83/638949683.db2.gz NFQDIVDQJPRNJN-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2C)C[C@@H]1C ZINC000929779110 638950233 /nfs/dbraw/zinc/95/02/33/638950233.db2.gz DMOPAIVAACOLEF-WMLDXEAASA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2C)C[C@@H]1C ZINC000929779110 638950235 /nfs/dbraw/zinc/95/02/35/638950235.db2.gz DMOPAIVAACOLEF-WMLDXEAASA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2C)C[C@@H]1C ZINC000929779110 638950236 /nfs/dbraw/zinc/95/02/36/638950236.db2.gz DMOPAIVAACOLEF-WMLDXEAASA-N 2 1 290.451 3.308 20 0 CGADMP COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC000930460521 639003584 /nfs/dbraw/zinc/00/35/84/639003584.db2.gz PEQHZOWZSSCNBU-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000930460521 639003587 /nfs/dbraw/zinc/00/35/87/639003587.db2.gz PEQHZOWZSSCNBU-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000930460521 639003589 /nfs/dbraw/zinc/00/35/89/639003589.db2.gz PEQHZOWZSSCNBU-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCCO2)cc1 ZINC000859212404 639111051 /nfs/dbraw/zinc/11/10/51/639111051.db2.gz JBNGLPJOXMEFHO-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3C[C@H]3c3ccccc3)C[C@]2(C)C1 ZINC000931315546 639133038 /nfs/dbraw/zinc/13/30/38/639133038.db2.gz XFYJSIFXXLIZQX-CADBVGFASA-N 2 1 284.447 3.064 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3C[C@H]3c3ccccc3)C[C@]2(C)C1 ZINC000931315546 639133043 /nfs/dbraw/zinc/13/30/43/639133043.db2.gz XFYJSIFXXLIZQX-CADBVGFASA-N 2 1 284.447 3.064 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@]2(C)C1 ZINC000931315546 639133047 /nfs/dbraw/zinc/13/30/47/639133047.db2.gz XFYJSIFXXLIZQX-CADBVGFASA-N 2 1 284.447 3.064 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@]2(C)C1 ZINC000931315546 639133048 /nfs/dbraw/zinc/13/30/48/639133048.db2.gz XFYJSIFXXLIZQX-CADBVGFASA-N 2 1 284.447 3.064 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@]2(C)C1 ZINC000931315547 639133665 /nfs/dbraw/zinc/13/36/65/639133665.db2.gz XFYJSIFXXLIZQX-INDMIFKZSA-N 2 1 284.447 3.064 20 0 CGADMP Cc1cc(C[NH+]2CCC(C)([NH+](C)C)CC2)c(C)s1 ZINC000931349986 639138719 /nfs/dbraw/zinc/13/87/19/639138719.db2.gz DNWZFKLAVCUGCB-UHFFFAOYSA-N 2 1 266.454 3.281 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](CCSc2ccccc2)CC1 ZINC000931351658 639139630 /nfs/dbraw/zinc/13/96/30/639139630.db2.gz RCWQUBIYIUBSIG-UHFFFAOYSA-N 2 1 278.465 3.195 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000931704846 639192428 /nfs/dbraw/zinc/19/24/28/639192428.db2.gz ZJKREIWBIXWXLW-PIIMJCKOSA-N 2 1 296.499 3.388 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[Si](C)(C)C ZINC000191470420 640314745 /nfs/dbraw/zinc/31/47/45/640314745.db2.gz KDMZDJONNZDBMB-UHFFFAOYSA-N 2 1 267.493 3.035 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[Si](C)(C)C ZINC000191470420 640314750 /nfs/dbraw/zinc/31/47/50/640314750.db2.gz KDMZDJONNZDBMB-UHFFFAOYSA-N 2 1 267.493 3.035 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000193694175 640490370 /nfs/dbraw/zinc/49/03/70/640490370.db2.gz XXWKYRWNXGUELS-QGZVFWFLSA-N 2 1 280.456 3.123 20 0 CGADMP [NH3+]C[C@H]1CCC[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000089106121 640630173 /nfs/dbraw/zinc/63/01/73/640630173.db2.gz JOHJGUMAMNWNGH-ZWNOBZJWSA-N 2 1 275.783 3.428 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCO3)C1 ZINC000247130914 640710672 /nfs/dbraw/zinc/71/06/72/640710672.db2.gz RSJLHBKNKLRQMU-HUUCEWRRSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1cc(C)cc(OCCC[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091846614 640724613 /nfs/dbraw/zinc/72/46/13/640724613.db2.gz GUHUQWZXDAOKQE-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)oc2C)C1 ZINC000093693502 640779545 /nfs/dbraw/zinc/77/95/45/640779545.db2.gz CJDNMXOKNGONLT-HNNXBMFYSA-N 2 1 264.413 3.060 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)oc2C)C1 ZINC000093693502 640779549 /nfs/dbraw/zinc/77/95/49/640779549.db2.gz CJDNMXOKNGONLT-HNNXBMFYSA-N 2 1 264.413 3.060 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000250592233 640814612 /nfs/dbraw/zinc/81/46/12/640814612.db2.gz HSQOVNCAWVCPBC-WCXIOVBPSA-N 2 1 264.457 3.277 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415134048 640858899 /nfs/dbraw/zinc/85/88/99/640858899.db2.gz DITJNGMOIQKTGM-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415134048 640858901 /nfs/dbraw/zinc/85/89/01/640858901.db2.gz DITJNGMOIQKTGM-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP C[NH+]1CCC(Cc2[nH]c3ccc(N4CCCC4)cc3[nH+]2)CC1 ZINC001250552748 805690961 /nfs/dbraw/zinc/69/09/61/805690961.db2.gz LUQTUFUHYUFQPJ-UHFFFAOYSA-N 2 1 298.434 3.047 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1cc2[nH]ccc2c[nH+]1 ZINC001156929014 805756107 /nfs/dbraw/zinc/75/61/07/805756107.db2.gz RSRSAALUQZSXAQ-ZDUSSCGKSA-N 2 1 272.396 3.239 20 0 CGADMP CCc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC001158264920 805931066 /nfs/dbraw/zinc/93/10/66/805931066.db2.gz LENZLHNQSAAKFB-GUYCJALGSA-N 2 1 290.455 3.303 20 0 CGADMP CC[NH+](CC)c1ccc(NC=CC2CC[NH2+]CC2)cc1 ZINC001159425842 806099487 /nfs/dbraw/zinc/09/94/87/806099487.db2.gz CFKFKZDOAHFVHH-SDNWHVSQSA-N 2 1 273.424 3.458 20 0 CGADMP c1ccc2c(Nc3ccc([C@@H]4CC[NH2+]C4)cc3)cc[nH+]c2c1 ZINC001159776138 806170737 /nfs/dbraw/zinc/17/07/37/806170737.db2.gz RQZPSIOTDPDAMG-OAHLLOKOSA-N 2 1 289.382 3.477 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1ccc(C)cc1C ZINC001253211105 806182946 /nfs/dbraw/zinc/18/29/46/806182946.db2.gz AUOUEBNBLYZSLN-FUHWJXTLSA-N 2 1 292.467 3.047 20 0 CGADMP CCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cccc(F)c1 ZINC001253407715 806215502 /nfs/dbraw/zinc/21/55/02/806215502.db2.gz OKCCBVUAYCWMLH-HOTGVXAUSA-N 2 1 296.430 3.006 20 0 CGADMP CC(C)[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@@H](C)c1ccccc1 ZINC001253396745 806215535 /nfs/dbraw/zinc/21/55/35/806215535.db2.gz DKXNKPMBURYFLQ-DOTOQJQBSA-N 2 1 292.467 3.207 20 0 CGADMP FC(F)(F)[C@H]1C[NH2+]CC[C@@H]1Nc1[nH+]ccc2ccccc21 ZINC001160739433 806299621 /nfs/dbraw/zinc/29/96/21/806299621.db2.gz XCTINHDAYJOTAK-STQMWFEESA-N 2 1 295.308 3.187 20 0 CGADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCC(F)(F)CC2)C1 ZINC001254216035 806367104 /nfs/dbraw/zinc/36/71/04/806367104.db2.gz AEKMHPZSKLTXBV-CYBMUJFWSA-N 2 1 274.399 3.405 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001254482785 806412497 /nfs/dbraw/zinc/41/24/97/806412497.db2.gz MFUZGJYCRVWIEO-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1ccc(Cl)cc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254500331 806421188 /nfs/dbraw/zinc/42/11/88/806421188.db2.gz UUIYIWHUTNPHTD-HNNXBMFYSA-N 2 1 266.816 3.222 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254506437 806424210 /nfs/dbraw/zinc/42/42/10/806424210.db2.gz SAJKZAZZADUMDK-NVXWUHKLSA-N 2 1 258.409 3.056 20 0 CGADMP CCCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254506225 806425072 /nfs/dbraw/zinc/42/50/72/806425072.db2.gz PNNSGPJKWXUDIV-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)c2ccc(F)cc2)CC1 ZINC001254509501 806431107 /nfs/dbraw/zinc/43/11/07/806431107.db2.gz OQWJMXCSDXYLPJ-HNNXBMFYSA-N 2 1 264.388 3.135 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001254519822 806436775 /nfs/dbraw/zinc/43/67/75/806436775.db2.gz KKCBBXGOVRBWJY-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(C)CCC(F)(F)CC2)CC1 ZINC001254512211 806433288 /nfs/dbraw/zinc/43/32/88/806433288.db2.gz KNIYYNDDBLNUMD-GFCCVEGCSA-N 2 1 260.372 3.028 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)CCC2 ZINC001254515280 806436934 /nfs/dbraw/zinc/43/69/34/806436934.db2.gz VFZXAZKQTURDQZ-CRAIPNDOSA-N 2 1 288.435 3.147 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254516015 806436210 /nfs/dbraw/zinc/43/62/10/806436210.db2.gz IOZVKMGMAIVNCG-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254516015 806436213 /nfs/dbraw/zinc/43/62/13/806436213.db2.gz IOZVKMGMAIVNCG-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516015 806436218 /nfs/dbraw/zinc/43/62/18/806436218.db2.gz IOZVKMGMAIVNCG-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP COc1cccc([C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C2CC2)c1 ZINC001254515530 806436453 /nfs/dbraw/zinc/43/64/53/806436453.db2.gz XYMSYFUXRADFRO-FUHWJXTLSA-N 2 1 288.435 3.220 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515576 806436637 /nfs/dbraw/zinc/43/66/37/806436637.db2.gz YRGPWCWCLRUICA-DZGCQCFKSA-N 2 1 294.826 3.238 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515576 806436643 /nfs/dbraw/zinc/43/66/43/806436643.db2.gz YRGPWCWCLRUICA-DZGCQCFKSA-N 2 1 294.826 3.238 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCCC3(CCCC3)C2)CC1 ZINC001254519822 806436766 /nfs/dbraw/zinc/43/67/66/806436766.db2.gz KKCBBXGOVRBWJY-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC3(CCCC3)C2)CC1 ZINC001254519822 806436769 /nfs/dbraw/zinc/43/67/69/806436769.db2.gz KKCBBXGOVRBWJY-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254525657 806438106 /nfs/dbraw/zinc/43/81/06/806438106.db2.gz KKEZSKAXRXLJCQ-GJZGRUSLSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254525657 806438109 /nfs/dbraw/zinc/43/81/09/806438109.db2.gz KKEZSKAXRXLJCQ-GJZGRUSLSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525657 806438111 /nfs/dbraw/zinc/43/81/11/806438111.db2.gz KKEZSKAXRXLJCQ-GJZGRUSLSA-N 2 1 276.424 3.172 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525689 806439437 /nfs/dbraw/zinc/43/94/37/806439437.db2.gz KWACFEVOAJNDTQ-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525689 806439440 /nfs/dbraw/zinc/43/94/40/806439440.db2.gz KWACFEVOAJNDTQ-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525689 806439447 /nfs/dbraw/zinc/43/94/47/806439447.db2.gz KWACFEVOAJNDTQ-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254526220 806442436 /nfs/dbraw/zinc/44/24/36/806442436.db2.gz PXUUXFIZDDMQNU-QGZVFWFLSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254526220 806442440 /nfs/dbraw/zinc/44/24/40/806442440.db2.gz PXUUXFIZDDMQNU-QGZVFWFLSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254526220 806442444 /nfs/dbraw/zinc/44/24/44/806442444.db2.gz PXUUXFIZDDMQNU-QGZVFWFLSA-N 2 1 260.425 3.165 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2CCSC2)C2CCCCC2)CC1 ZINC001255276572 806590946 /nfs/dbraw/zinc/59/09/46/806590946.db2.gz VIPVSEYTULEDAH-FVQBIDKESA-N 2 1 282.497 3.397 20 0 CGADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255276559 806591025 /nfs/dbraw/zinc/59/10/25/806591025.db2.gz VHDLXFKUNHKYFN-GFCCVEGCSA-N 2 1 296.867 3.095 20 0 CGADMP CCCC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001255327088 806613875 /nfs/dbraw/zinc/61/38/75/806613875.db2.gz XMMLTPFEIQAFPO-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001255327088 806613879 /nfs/dbraw/zinc/61/38/79/806613879.db2.gz XMMLTPFEIQAFPO-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001255327088 806613884 /nfs/dbraw/zinc/61/38/84/806613884.db2.gz XMMLTPFEIQAFPO-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001255327088 806613889 /nfs/dbraw/zinc/61/38/89/806613889.db2.gz XMMLTPFEIQAFPO-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC(OC)CC1 ZINC001255448610 806641666 /nfs/dbraw/zinc/64/16/66/806641666.db2.gz YPMAJHNKMUKUBD-UHFFFAOYSA-N 2 1 284.488 3.436 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CCC[N@H+](C)C2)n1 ZINC001255493236 806652647 /nfs/dbraw/zinc/65/26/47/806652647.db2.gz WABFWQNVXMJRNL-RDJZCZTQSA-N 2 1 298.434 3.001 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CCC[N@@H+](C)C2)n1 ZINC001255493236 806652650 /nfs/dbraw/zinc/65/26/50/806652650.db2.gz WABFWQNVXMJRNL-RDJZCZTQSA-N 2 1 298.434 3.001 20 0 CGADMP COC(=[NH2+])c1cccc(-n2c3ccccc3nc2[C@H](C)[NH3+])c1 ZINC001162776930 806663747 /nfs/dbraw/zinc/66/37/47/806663747.db2.gz GMEXVIMSCPTHHS-NSHDSACASA-N 2 1 294.358 3.017 20 0 CGADMP Cc1cc2cc[nH+]c(NCc3ccc4c(c3)CC[NH2+]C4)c2[nH]1 ZINC001162796104 806667316 /nfs/dbraw/zinc/66/73/16/806667316.db2.gz UYCJJYIDSZYMEU-UHFFFAOYSA-N 2 1 292.386 3.129 20 0 CGADMP CC(C)[N@@H+]([C@@H](C)CC(F)(F)F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255642698 806689513 /nfs/dbraw/zinc/68/95/13/806689513.db2.gz FAMMLZTUWFGGHE-SRVKXCTJSA-N 2 1 266.351 3.308 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255667795 806700588 /nfs/dbraw/zinc/70/05/88/806700588.db2.gz UCGJGUXEKAWOCM-BLNMRFBMSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255667795 806700590 /nfs/dbraw/zinc/70/05/90/806700590.db2.gz UCGJGUXEKAWOCM-BLNMRFBMSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255683531 806703781 /nfs/dbraw/zinc/70/37/81/806703781.db2.gz QHHXEULWYZYAHJ-QXGIVVGOSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255683531 806703785 /nfs/dbraw/zinc/70/37/85/806703785.db2.gz QHHXEULWYZYAHJ-QXGIVVGOSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255683531 806703790 /nfs/dbraw/zinc/70/37/90/806703790.db2.gz QHHXEULWYZYAHJ-QXGIVVGOSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255683526 806704504 /nfs/dbraw/zinc/70/45/04/806704504.db2.gz QHHXEULWYZYAHJ-DYJHLDHHSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255683526 806704509 /nfs/dbraw/zinc/70/45/09/806704509.db2.gz QHHXEULWYZYAHJ-DYJHLDHHSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255683526 806704513 /nfs/dbraw/zinc/70/45/13/806704513.db2.gz QHHXEULWYZYAHJ-DYJHLDHHSA-N 2 1 284.447 3.449 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255709033 806713550 /nfs/dbraw/zinc/71/35/50/806713550.db2.gz PAIQGTGSCUZCLN-GHMZBOCLSA-N 2 1 275.318 3.068 20 0 CGADMP Fc1cc2[nH]c[nH+]c2cc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163219451 806725818 /nfs/dbraw/zinc/72/58/18/806725818.db2.gz WNMDRLRLGSGYHE-DYVFJYSZSA-N 2 1 296.349 3.217 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000300248678 799203697 /nfs/dbraw/zinc/20/36/97/799203697.db2.gz SBWGLZIHUPJMME-GXTWGEPZSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000300248678 799203704 /nfs/dbraw/zinc/20/37/04/799203704.db2.gz SBWGLZIHUPJMME-GXTWGEPZSA-N 2 1 266.816 3.065 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000378681018 799342893 /nfs/dbraw/zinc/34/28/93/799342893.db2.gz WFEZQDLJXYQZPD-CYBMUJFWSA-N 2 1 272.314 3.019 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000381162112 799373939 /nfs/dbraw/zinc/37/39/39/799373939.db2.gz GXCRMDUQPWHTDH-LBPRGKRZSA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000381162112 799373944 /nfs/dbraw/zinc/37/39/44/799373944.db2.gz GXCRMDUQPWHTDH-LBPRGKRZSA-N 2 1 270.779 3.040 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC000695698369 799832182 /nfs/dbraw/zinc/83/21/82/799832182.db2.gz DZKFLLCQPKLFKP-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697088010 799842483 /nfs/dbraw/zinc/84/24/83/799842483.db2.gz RSIODRYGUCDQDX-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC001255942101 806789505 /nfs/dbraw/zinc/78/95/05/806789505.db2.gz DJHYQTNMOISPII-CQSZACIVSA-N 2 1 266.404 3.344 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1nccc2ccccc21 ZINC001255946716 806792205 /nfs/dbraw/zinc/79/22/05/806792205.db2.gz XXVUAHDQRPQPTA-OAHLLOKOSA-N 2 1 285.435 3.445 20 0 CGADMP CC[C@H]([NH2+][C@H](C)CC[NH+](CC)CC)c1cccnc1 ZINC001255947952 806793424 /nfs/dbraw/zinc/79/34/24/806793424.db2.gz ZMZHVBNKYZWCBV-ZBFHGGJFSA-N 2 1 263.429 3.243 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001255948332 806794074 /nfs/dbraw/zinc/79/40/74/806794074.db2.gz JSXWRDPAFLJPBU-RHSMWYFYSA-N 2 1 275.440 3.243 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)C[NH2+]1 ZINC000708850894 799998062 /nfs/dbraw/zinc/99/80/62/799998062.db2.gz ROKNWKIJNZYFNQ-VNQPRFMTSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@]12C[C@@H]1CCCC2 ZINC000709243911 800005594 /nfs/dbraw/zinc/00/55/94/800005594.db2.gz IDBDPOVQVWFIHR-JVVAOCTPSA-N 2 1 262.441 3.170 20 0 CGADMP CCC(CC)[NH+]1CCC([NH2+][C@H](C)CC[NH+](CC)CC)CC1 ZINC001255950438 806795279 /nfs/dbraw/zinc/79/52/79/806795279.db2.gz HIGDZEAGVQNESY-MRXNPFEDSA-N 3 1 297.531 3.349 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000709816233 800020781 /nfs/dbraw/zinc/02/07/81/800020781.db2.gz IDOYREDUFUEPOM-UBHSHLNASA-N 2 1 284.325 3.017 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001255953190 806797027 /nfs/dbraw/zinc/79/70/27/806797027.db2.gz YMLAHZXJYOQAGR-MRXNPFEDSA-N 3 1 295.515 3.103 20 0 CGADMP C[N@H+](CCCCCC[NH3+])Cc1csc(-c2ccco2)n1 ZINC000710706026 800038741 /nfs/dbraw/zinc/03/87/41/800038741.db2.gz PUGKQOSLTQHBMW-UHFFFAOYSA-N 2 1 293.436 3.354 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1csc(-c2ccco2)n1 ZINC000710706026 800038745 /nfs/dbraw/zinc/03/87/45/800038745.db2.gz PUGKQOSLTQHBMW-UHFFFAOYSA-N 2 1 293.436 3.354 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCOc1ccc(Cl)cc1 ZINC000710837040 800040565 /nfs/dbraw/zinc/04/05/65/800040565.db2.gz PNMGWANIEVBSEC-UHFFFAOYSA-N 2 1 284.831 3.170 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@](C)(F)C1 ZINC001255957628 806798454 /nfs/dbraw/zinc/79/84/54/806798454.db2.gz SZONPQLVAWEJEN-GJZGRUSLSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@](C)(F)C1 ZINC001255957628 806798459 /nfs/dbraw/zinc/79/84/59/806798459.db2.gz SZONPQLVAWEJEN-GJZGRUSLSA-N 2 1 258.425 3.321 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@@H]3C3CC3)CC2)cc1 ZINC000716609042 800175632 /nfs/dbraw/zinc/17/56/32/800175632.db2.gz SMKJTWGKHXCYDH-MSOLQXFVSA-N 2 1 270.420 3.039 20 0 CGADMP Cc1cc(F)cc(C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256067799 806809403 /nfs/dbraw/zinc/80/94/03/806809403.db2.gz JZLPMPPYAOFGQX-UHFFFAOYSA-N 2 1 276.399 3.159 20 0 CGADMP CC(C)CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC001256071602 806811253 /nfs/dbraw/zinc/81/12/53/806811253.db2.gz GMXXQFYUXHEGJL-UHFFFAOYSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+](Cc1cccc2cccnc21)C1CC[NH+](C2CC2)CC1 ZINC001256078553 806814794 /nfs/dbraw/zinc/81/47/94/806814794.db2.gz ZDMGTOHUIHJFJC-UHFFFAOYSA-N 2 1 295.430 3.293 20 0 CGADMP C[N@@H+](Cc1cccc2cccnc21)C1CC[NH+](C2CC2)CC1 ZINC001256078553 806814799 /nfs/dbraw/zinc/81/47/99/806814799.db2.gz ZDMGTOHUIHJFJC-UHFFFAOYSA-N 2 1 295.430 3.293 20 0 CGADMP CCCC(CCC)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721637525 800298077 /nfs/dbraw/zinc/29/80/77/800298077.db2.gz BHIMUPFDGXECQU-KRWDZBQOSA-N 2 1 260.425 3.341 20 0 CGADMP CCCC(CCC)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721637525 800298082 /nfs/dbraw/zinc/29/80/82/800298082.db2.gz BHIMUPFDGXECQU-KRWDZBQOSA-N 2 1 260.425 3.341 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723671018 800336380 /nfs/dbraw/zinc/33/63/80/800336380.db2.gz XVHHBPKOCIABOE-NWDGAFQWSA-N 2 1 252.789 3.072 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+]([C@@H]1CCC[C@H](c3ccccc3)C1)CC2 ZINC001256121356 806828597 /nfs/dbraw/zinc/82/85/97/806828597.db2.gz QHTGJQDWCWRFAK-ZWKOTPCHSA-N 2 1 295.430 3.468 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+]([C@@H]1CCC[C@H](c3ccccc3)C1)CC2 ZINC001256121356 806828604 /nfs/dbraw/zinc/82/86/04/806828604.db2.gz QHTGJQDWCWRFAK-ZWKOTPCHSA-N 2 1 295.430 3.468 20 0 CGADMP [NH2+]=C(Nc1cc[nH+]cc1)C12CC3CC(CC(C3)C1)C2 ZINC001163840681 806835951 /nfs/dbraw/zinc/83/59/51/806835951.db2.gz ZSEFEDPSHRTBLM-UHFFFAOYSA-N 2 1 255.365 3.109 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000897417962 800589930 /nfs/dbraw/zinc/58/99/30/800589930.db2.gz HVANPRSEHPMBIZ-CZUORRHYSA-N 2 1 288.435 3.145 20 0 CGADMP CN1CCC([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001256207545 806849560 /nfs/dbraw/zinc/84/95/60/806849560.db2.gz MGBPIGMPBZEDLQ-MRXNPFEDSA-N 2 1 262.372 3.057 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538896 806912734 /nfs/dbraw/zinc/91/27/34/806912734.db2.gz VOZZMRLTJNYWKI-OAOYMFHYSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538896 806912736 /nfs/dbraw/zinc/91/27/36/806912736.db2.gz VOZZMRLTJNYWKI-OAOYMFHYSA-N 2 1 284.447 3.428 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001256572405 806920197 /nfs/dbraw/zinc/92/01/97/806920197.db2.gz RAMRRYYCZMEFPT-QGZVFWFLSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001256572405 806920199 /nfs/dbraw/zinc/92/01/99/806920199.db2.gz RAMRRYYCZMEFPT-QGZVFWFLSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256617611 806927709 /nfs/dbraw/zinc/92/77/09/806927709.db2.gz UFIKJFKVXWAGGZ-YCXXCVGLSA-N 2 1 270.420 3.197 20 0 CGADMP Cc1cc(F)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614883 806926093 /nfs/dbraw/zinc/92/60/93/806926093.db2.gz NMJJCAWFRWBETP-MQVJKMGUSA-N 2 1 276.399 3.157 20 0 CGADMP CCC[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256627353 806930798 /nfs/dbraw/zinc/93/07/98/806930798.db2.gz GAHXTAPIMAYXFI-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256627353 806930802 /nfs/dbraw/zinc/93/08/02/806930802.db2.gz GAHXTAPIMAYXFI-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256627353 806930806 /nfs/dbraw/zinc/93/08/06/806930806.db2.gz GAHXTAPIMAYXFI-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256627353 806930811 /nfs/dbraw/zinc/93/08/11/806930811.db2.gz GAHXTAPIMAYXFI-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629333 806932426 /nfs/dbraw/zinc/93/24/26/806932426.db2.gz AAOIFFJUCUWTQM-DTWYCDNDSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629333 806932431 /nfs/dbraw/zinc/93/24/31/806932431.db2.gz AAOIFFJUCUWTQM-DTWYCDNDSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629333 806932433 /nfs/dbraw/zinc/93/24/33/806932433.db2.gz AAOIFFJUCUWTQM-DTWYCDNDSA-N 2 1 270.420 3.058 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c1 ZINC001116292824 802326417 /nfs/dbraw/zinc/32/64/17/802326417.db2.gz FQFNOGRAIBUZGN-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)CCc2ccc(F)cc2F)CC1 ZINC001116530037 802372241 /nfs/dbraw/zinc/37/22/41/802372241.db2.gz DHXAQBFVIYPFQS-UHFFFAOYSA-N 2 1 296.405 3.312 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccc(F)cc2F)CC1 ZINC001116530037 802372246 /nfs/dbraw/zinc/37/22/46/802372246.db2.gz DHXAQBFVIYPFQS-UHFFFAOYSA-N 2 1 296.405 3.312 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1(C)C ZINC001119930093 802708955 /nfs/dbraw/zinc/70/89/55/802708955.db2.gz ZGGYGGSMPZLZQI-LVQVYYBASA-N 2 1 282.472 3.041 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)o3)C[C@H]2C1 ZINC001119988140 802720292 /nfs/dbraw/zinc/72/02/92/802720292.db2.gz FUBNPOGDZKLQMR-JHJVBQTASA-N 2 1 282.815 3.095 20 0 CGADMP Fc1cccc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256894031 807000179 /nfs/dbraw/zinc/00/01/79/807000179.db2.gz CKIDQUHJJFWHIJ-KRWDZBQOSA-N 2 1 290.426 3.365 20 0 CGADMP Fc1cccc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256894031 807000185 /nfs/dbraw/zinc/00/01/85/807000185.db2.gz CKIDQUHJJFWHIJ-KRWDZBQOSA-N 2 1 290.426 3.365 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256893865 807000199 /nfs/dbraw/zinc/00/01/99/807000199.db2.gz AHCLXVSCRUSNRQ-KRWDZBQOSA-N 2 1 290.426 3.365 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256893865 807000206 /nfs/dbraw/zinc/00/02/06/807000206.db2.gz AHCLXVSCRUSNRQ-KRWDZBQOSA-N 2 1 290.426 3.365 20 0 CGADMP CCc1cccc(NCC2C[NH+](Cc3ccccc3)C2)[nH+]1 ZINC001165469272 807004756 /nfs/dbraw/zinc/00/47/56/807004756.db2.gz MYIFWUKVSIQEFC-UHFFFAOYSA-N 2 1 281.403 3.188 20 0 CGADMP [NH3+]Cc1ccc(N[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1F ZINC001256908721 807007878 /nfs/dbraw/zinc/00/78/78/807007878.db2.gz NKNJWVWDOFLROE-OAHLLOKOSA-N 2 1 291.414 3.103 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001206506649 813338626 /nfs/dbraw/zinc/33/86/26/813338626.db2.gz JGIZNWHQZWBPKF-UHFFFAOYSA-N 2 1 288.769 3.179 20 0 CGADMP Cc1ccc2nc(C[N@@H+](C)CC3CC[NH+](C)CC3)ccc2c1 ZINC001137215888 803699041 /nfs/dbraw/zinc/69/90/41/803699041.db2.gz PQXSLSPWWQOVPZ-UHFFFAOYSA-N 2 1 297.446 3.317 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH+](C)CC1 ZINC001137387568 803727303 /nfs/dbraw/zinc/72/73/03/803727303.db2.gz SYPOJHQUPGYKDG-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH+](C)CC1 ZINC001137387568 803727306 /nfs/dbraw/zinc/72/73/06/803727306.db2.gz SYPOJHQUPGYKDG-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)cccc1C ZINC001137852596 803784387 /nfs/dbraw/zinc/78/43/87/803784387.db2.gz IQHVHENQSVWEAW-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC001138113790 803859439 /nfs/dbraw/zinc/85/94/39/803859439.db2.gz STMGQNQCXFLMPN-ROUUACIJSA-N 2 1 295.430 3.008 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[NH+](CCC)C[C@@H]3C2)s1 ZINC001138528259 803961245 /nfs/dbraw/zinc/96/12/45/803961245.db2.gz QUTICEWJAJKVLY-HUUCEWRRSA-N 2 1 292.492 3.474 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCOC[C@H]2C(C)C)cc1 ZINC001138548537 803962973 /nfs/dbraw/zinc/96/29/73/803962973.db2.gz HHJXLUMNCZXDIM-SFHVURJKSA-N 2 1 299.418 3.038 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCOC[C@H]2C(C)C)cc1 ZINC001138548537 803962977 /nfs/dbraw/zinc/96/29/77/803962977.db2.gz HHJXLUMNCZXDIM-SFHVURJKSA-N 2 1 299.418 3.038 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC001246073490 804111836 /nfs/dbraw/zinc/11/18/36/804111836.db2.gz ZGIQZJHIEDMEAM-LSDHHAIUSA-N 2 1 264.388 3.082 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246084630 804118886 /nfs/dbraw/zinc/11/88/86/804118886.db2.gz LJKCZBVTAXSRCR-HUBLWGQQSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246091376 804124157 /nfs/dbraw/zinc/12/41/57/804124157.db2.gz PTNVSAXHKKEGAH-NEPJUHHUSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246097839 804130239 /nfs/dbraw/zinc/13/02/39/804130239.db2.gz OSYGAPIMXXFJFT-HJZRJOMTSA-N 2 1 286.463 3.376 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246101214 804133311 /nfs/dbraw/zinc/13/33/11/804133311.db2.gz YXTSEUIRZXSGPY-HIFRSBDPSA-N 2 1 250.430 3.077 20 0 CGADMP CC1(C)CCC([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246112644 804142635 /nfs/dbraw/zinc/14/26/35/804142635.db2.gz LVEPCNPNNBLAJB-OAHLLOKOSA-N 2 1 256.409 3.027 20 0 CGADMP F[C@@]1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCCC[NH2+]C1 ZINC001246112038 804143165 /nfs/dbraw/zinc/14/31/65/804143165.db2.gz KBVHEYVJAQLZLH-KURKYZTESA-N 2 1 290.426 3.394 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001139171327 804150601 /nfs/dbraw/zinc/15/06/01/804150601.db2.gz RQVQTWJSFRCSPJ-ROUUACIJSA-N 2 1 295.430 3.008 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C[NH2+]1 ZINC001246156983 804172131 /nfs/dbraw/zinc/17/21/31/804172131.db2.gz FAWVFZLRZOLIQQ-PWSUYJOCSA-N 2 1 287.234 3.266 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246158658 804174285 /nfs/dbraw/zinc/17/42/85/804174285.db2.gz GKPWGYXIDLNDGF-IXDOHACOSA-N 2 1 280.456 3.012 20 0 CGADMP Clc1ccc(CC[NH2+][C@H]2CCCC[NH2+]C2)cc1Cl ZINC001246162829 804179119 /nfs/dbraw/zinc/17/91/19/804179119.db2.gz IGAZPJDQZLFCAL-LBPRGKRZSA-N 2 1 287.234 3.268 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)C[NH2+]1 ZINC001246176700 804191292 /nfs/dbraw/zinc/19/12/92/804191292.db2.gz ABCMPESQLPXYHD-FZMZJTMJSA-N 2 1 266.816 3.001 20 0 CGADMP CCCC[C@@H](CCC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246234957 804226673 /nfs/dbraw/zinc/22/66/73/804226673.db2.gz WUZLZRJBOKLUGT-QWHCGFSZSA-N 2 1 262.388 3.180 20 0 CGADMP CCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1CC ZINC001139618922 804231699 /nfs/dbraw/zinc/23/16/99/804231699.db2.gz QTBKFWRXLRBRGR-UHFFFAOYSA-N 2 1 278.440 3.031 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1CC ZINC001139618922 804231707 /nfs/dbraw/zinc/23/17/07/804231707.db2.gz QTBKFWRXLRBRGR-UHFFFAOYSA-N 2 1 278.440 3.031 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2OC)CC[NH2+]1 ZINC001246268809 804248628 /nfs/dbraw/zinc/24/86/28/804248628.db2.gz ZSVWWOOSBGLVLS-JKSUJKDBSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246277674 804252837 /nfs/dbraw/zinc/25/28/37/804252837.db2.gz AJGPVQANHMHKPD-GFCCVEGCSA-N 2 1 282.428 3.167 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246310598 804273484 /nfs/dbraw/zinc/27/34/84/804273484.db2.gz DSWGHSLCVHGDAS-CGZBRXJRSA-N 2 1 260.425 3.115 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246316828 804276760 /nfs/dbraw/zinc/27/67/60/804276760.db2.gz JHSBLMJLZCSCLT-MWLCHTKSSA-N 2 1 290.785 3.266 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246320588 804278810 /nfs/dbraw/zinc/27/88/10/804278810.db2.gz YRQDGZJDKPPONZ-ZYHUDNBSSA-N 2 1 272.845 3.148 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246324601 804281845 /nfs/dbraw/zinc/28/18/45/804281845.db2.gz FZGKRJALHLLDAX-RRFJBIMHSA-N 2 1 254.462 3.425 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246324830 804281858 /nfs/dbraw/zinc/28/18/58/804281858.db2.gz GRUCNWRIZHZHQD-XHSDSOJGSA-N 2 1 264.457 3.467 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246341187 804292711 /nfs/dbraw/zinc/29/27/11/804292711.db2.gz HMSCPPRQMKIUBH-OCCNTAHWSA-N 2 1 299.245 3.407 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)nc1 ZINC001139840125 804295181 /nfs/dbraw/zinc/29/51/81/804295181.db2.gz GFFCTKXNDLHONK-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)nc1 ZINC001139840125 804295187 /nfs/dbraw/zinc/29/51/87/804295187.db2.gz GFFCTKXNDLHONK-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001139840125 804295191 /nfs/dbraw/zinc/29/51/91/804295191.db2.gz GFFCTKXNDLHONK-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001139840125 804295197 /nfs/dbraw/zinc/29/51/97/804295197.db2.gz GFFCTKXNDLHONK-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246349259 804298790 /nfs/dbraw/zinc/29/87/90/804298790.db2.gz XOUFAQCZMAAFNV-RISCZKNCSA-N 2 1 268.832 3.234 20 0 CGADMP [NH3+]CC1([NH2+][C@H]2CCCC3(CCCCC3)C2)CCC1 ZINC001246356678 804302453 /nfs/dbraw/zinc/30/24/53/804302453.db2.gz OVKHXTTYIILTDU-AWEZNQCLSA-N 2 1 250.430 3.351 20 0 CGADMP Cc1ccccc1CC1(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246386238 804315306 /nfs/dbraw/zinc/31/53/06/804315306.db2.gz GGHLUYBNZWPRLT-RDJZCZTQSA-N 2 1 272.436 3.048 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCCCNC2)CC1 ZINC001246403378 804321789 /nfs/dbraw/zinc/32/17/89/804321789.db2.gz MACUINWUSYQNMF-SZMVWBNQSA-N 2 1 293.499 3.033 20 0 CGADMP CCC1([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCC(F)(F)CC1 ZINC001246417371 804326160 /nfs/dbraw/zinc/32/61/60/804326160.db2.gz UTLZGYJIGSMZBG-VXGBXAGGSA-N 2 1 260.372 3.075 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)C[NH2+]1 ZINC001246461972 804342986 /nfs/dbraw/zinc/34/29/86/804342986.db2.gz AYTUXMYXYXMUPQ-YOEHRIQHSA-N 2 1 290.426 3.269 20 0 CGADMP CCCCC[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246483445 804356220 /nfs/dbraw/zinc/35/62/20/804356220.db2.gz TWBZQJHYOKXGPD-OLZOCXBDSA-N 2 1 262.388 3.180 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(C)c1C ZINC001246475559 804352487 /nfs/dbraw/zinc/35/24/87/804352487.db2.gz OTTDYMSNXFVOIA-DOTOQJQBSA-N 2 1 260.425 3.486 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246496354 804360619 /nfs/dbraw/zinc/36/06/19/804360619.db2.gz MQXAAFISMPPNBY-PMPSAXMXSA-N 2 1 264.457 3.467 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001246499808 804362239 /nfs/dbraw/zinc/36/22/39/804362239.db2.gz GATJUFQNMFOEJZ-CABCVRRESA-N 2 1 272.477 3.467 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246518466 804371603 /nfs/dbraw/zinc/37/16/03/804371603.db2.gz GNDMDQVVJMVZCO-BCDXTJNWSA-N 2 1 272.436 3.354 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246518940 804372495 /nfs/dbraw/zinc/37/24/95/804372495.db2.gz JBAJYAMQGRDEIA-SJORKVTESA-N 2 1 260.425 3.429 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246519342 804373239 /nfs/dbraw/zinc/37/32/39/804373239.db2.gz MGMSCDSJWCFDHU-JKSUJKDBSA-N 2 1 260.425 3.285 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246521713 804376673 /nfs/dbraw/zinc/37/66/73/804376673.db2.gz DHAPGNCAZYHLEG-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](C(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC001246530020 804381010 /nfs/dbraw/zinc/38/10/10/804381010.db2.gz NCVNDJBTOBHROY-UHFFFAOYSA-N 2 1 280.415 3.460 20 0 CGADMP CCCCC[N@@H+](C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246530690 804382149 /nfs/dbraw/zinc/38/21/49/804382149.db2.gz PFFJZXSETCCWKQ-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246530555 804382227 /nfs/dbraw/zinc/38/22/27/804382227.db2.gz ZAYJCBLJORXSDJ-JKSUJKDBSA-N 2 1 264.388 3.034 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246534831 804383135 /nfs/dbraw/zinc/38/31/35/804383135.db2.gz ZLTXACNKZIPIGD-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246531397 804384498 /nfs/dbraw/zinc/38/44/98/804384498.db2.gz QQGBQIQIILJVAI-IKGGRYGDSA-N 2 1 258.409 3.136 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246537348 804386693 /nfs/dbraw/zinc/38/66/93/804386693.db2.gz VJZOVYJEOAPMFM-UXLLHSPISA-N 2 1 290.451 3.089 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](C2CCC3(CCCC3)CC2)C1 ZINC001246538677 804388619 /nfs/dbraw/zinc/38/86/19/804388619.db2.gz IMWOIWNKQARNDS-HNNXBMFYSA-N 2 1 250.430 3.303 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246542562 804390797 /nfs/dbraw/zinc/39/07/97/804390797.db2.gz QNDQAAMJWCPPQM-JSGCOSHPSA-N 2 1 266.816 3.084 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCc3ccccc3[C@H]2C)CC[NH2+]1 ZINC001246545015 804392107 /nfs/dbraw/zinc/39/21/07/804392107.db2.gz GCDZKYZNZFNUSA-KYJSFNMBSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCc3ccccc3[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246546624 804395953 /nfs/dbraw/zinc/39/59/53/804395953.db2.gz LDQNZIMOALCSEC-HLPPOEQASA-N 2 1 258.409 3.135 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C[C@@H]1C[NH3+] ZINC001246551333 804401385 /nfs/dbraw/zinc/40/13/85/804401385.db2.gz MAVHWXUNOIROPA-SNPRPXQTSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1C[NH3+] ZINC001246553197 804402126 /nfs/dbraw/zinc/40/21/26/804402126.db2.gz SGDDFYUOLASPOW-BGTYHANMSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001246551709 804402640 /nfs/dbraw/zinc/40/26/40/804402640.db2.gz MOYXVVREMRQCRU-SQNIBIBYSA-N 2 1 288.435 3.110 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001246551818 804402837 /nfs/dbraw/zinc/40/28/37/804402837.db2.gz RKTTXGPPTFGPGH-UPJWGTAASA-N 2 1 296.352 3.260 20 0 CGADMP C[C@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246554591 804404182 /nfs/dbraw/zinc/40/41/82/804404182.db2.gz BOTZUMUYHQLING-GTPINHCMSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246559292 804408798 /nfs/dbraw/zinc/40/87/98/804408798.db2.gz PBBDFQDPMXHBSB-BPQIPLTHSA-N 2 1 274.452 3.315 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1)CC2 ZINC001246561772 804409151 /nfs/dbraw/zinc/40/91/51/804409151.db2.gz LLSBRSYBLWNBSR-VDZJLULYSA-N 2 1 286.463 3.159 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C[C@H]1C ZINC001246560440 804409547 /nfs/dbraw/zinc/40/95/47/804409547.db2.gz GTHLRHINLGTMEP-LJIZCISZSA-N 2 1 252.446 3.118 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246563493 804412155 /nfs/dbraw/zinc/41/21/55/804412155.db2.gz KBUXLGPORBYMBQ-TUVASFSCSA-N 2 1 252.446 3.260 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246563825 804413027 /nfs/dbraw/zinc/41/30/27/804413027.db2.gz UYSSKCKIRZZVOC-JKSUJKDBSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[N@H+](C2CCc3ccccc3CC2)CCC[C@@H]1C[NH3+] ZINC001246566522 804413276 /nfs/dbraw/zinc/41/32/76/804413276.db2.gz IZTMQQYRJRQEMY-CRAIPNDOSA-N 2 1 286.463 3.241 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246568677 804415519 /nfs/dbraw/zinc/41/55/19/804415519.db2.gz ASXNQGGFEAUHLC-GJZGRUSLSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246568677 804415520 /nfs/dbraw/zinc/41/55/20/804415520.db2.gz ASXNQGGFEAUHLC-GJZGRUSLSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246568680 804415798 /nfs/dbraw/zinc/41/57/98/804415798.db2.gz ASXNQGGFEAUHLC-HUUCEWRRSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246568680 804415799 /nfs/dbraw/zinc/41/57/99/804415799.db2.gz ASXNQGGFEAUHLC-HUUCEWRRSA-N 2 1 258.425 3.497 20 0 CGADMP F[C@H]1CCCC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246569055 804417130 /nfs/dbraw/zinc/41/71/30/804417130.db2.gz URCBDQANRTVINQ-LSDHHAIUSA-N 2 1 268.420 3.265 20 0 CGADMP F[C@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246569055 804417131 /nfs/dbraw/zinc/41/71/31/804417131.db2.gz URCBDQANRTVINQ-LSDHHAIUSA-N 2 1 268.420 3.265 20 0 CGADMP C[C@]1(F)CCC[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246570485 804417423 /nfs/dbraw/zinc/41/74/23/804417423.db2.gz AENSQJOMVZPNCX-SQNIBIBYSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@]1(F)CCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246570485 804417428 /nfs/dbraw/zinc/41/74/28/804417428.db2.gz AENSQJOMVZPNCX-SQNIBIBYSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@]1(F)CCCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246571638 804418655 /nfs/dbraw/zinc/41/86/55/804418655.db2.gz FARMXKGETCPWRW-PMPSAXMXSA-N 2 1 268.420 3.123 20 0 CGADMP CC1(C)CC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC(C)(C)O1 ZINC001246574899 804422821 /nfs/dbraw/zinc/42/28/21/804422821.db2.gz JOIZTPLRIDXEHE-KRWDZBQOSA-N 2 1 282.472 3.174 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246576382 804423030 /nfs/dbraw/zinc/42/30/30/804423030.db2.gz JYCWZAKZOKLBQF-IRXDYDNUSA-N 2 1 278.415 3.161 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246576382 804423033 /nfs/dbraw/zinc/42/30/33/804423033.db2.gz JYCWZAKZOKLBQF-IRXDYDNUSA-N 2 1 278.415 3.161 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246577933 804424571 /nfs/dbraw/zinc/42/45/71/804424571.db2.gz UQJDXOOXYZNXPF-FMKPAKJESA-N 2 1 270.436 3.367 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246579581 804424727 /nfs/dbraw/zinc/42/47/27/804424727.db2.gz CGCNIZZDTFKIGD-UKRRQHHQSA-N 2 1 292.854 3.258 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@](C)(C[NH3+])CC1)CC2 ZINC001246582746 804426053 /nfs/dbraw/zinc/42/60/53/804426053.db2.gz SWHUSIPSMLCPTA-MOPGFXCFSA-N 2 1 286.463 3.303 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246582173 804426302 /nfs/dbraw/zinc/42/63/02/804426302.db2.gz GAVIQLNETUSTBW-XIRDDKMYSA-N 2 1 278.415 3.077 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246582173 804426306 /nfs/dbraw/zinc/42/63/06/804426306.db2.gz GAVIQLNETUSTBW-XIRDDKMYSA-N 2 1 278.415 3.077 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246584851 804427892 /nfs/dbraw/zinc/42/78/92/804427892.db2.gz VPNIUDZHLNBKMZ-ROUUACIJSA-N 2 1 274.452 3.459 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246584850 804428166 /nfs/dbraw/zinc/42/81/66/804428166.db2.gz VPNIUDZHLNBKMZ-QZTJIDSGSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586329 804430234 /nfs/dbraw/zinc/43/02/34/804430234.db2.gz TTWGCIWFWAGDOA-YOEHRIQHSA-N 2 1 292.854 3.258 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@](C)(C[NH3+])C1)CC2 ZINC001246589883 804432455 /nfs/dbraw/zinc/43/24/55/804432455.db2.gz GDQKLRDKOYGIRP-MOPGFXCFSA-N 2 1 286.463 3.303 20 0 CGADMP CC1(C)CC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC(C)(C)O1 ZINC001246593328 804435376 /nfs/dbraw/zinc/43/53/76/804435376.db2.gz MCQCKCWRFJQXMW-QGZVFWFLSA-N 2 1 282.472 3.174 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598485 804437160 /nfs/dbraw/zinc/43/71/60/804437160.db2.gz AIMNYCSQUNEFKH-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598485 804437163 /nfs/dbraw/zinc/43/71/63/804437163.db2.gz AIMNYCSQUNEFKH-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246600970 804439057 /nfs/dbraw/zinc/43/90/57/804439057.db2.gz FOJOBIMAAFCSOZ-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP CCC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246600968 804439296 /nfs/dbraw/zinc/43/92/96/804439296.db2.gz FOJOBIMAAFCSOZ-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]3(CC[NH2+]3)C1)C2 ZINC001246607353 804441217 /nfs/dbraw/zinc/44/12/17/804441217.db2.gz DGAXREPLZJNGPC-IAGOWNOFSA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]3(CC[NH2+]3)C1)C2 ZINC001246607353 804441221 /nfs/dbraw/zinc/44/12/21/804441221.db2.gz DGAXREPLZJNGPC-IAGOWNOFSA-N 2 1 290.838 3.025 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C[C@H]1C ZINC001246605485 804441242 /nfs/dbraw/zinc/44/12/42/804441242.db2.gz KFHPRXYUMZTBEI-WCXIOVBPSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246605445 804442012 /nfs/dbraw/zinc/44/20/12/804442012.db2.gz JTRMTCIRAJVNNE-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246608909 804443642 /nfs/dbraw/zinc/44/36/42/804443642.db2.gz VZCDDDWBPKRHPU-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)CC(C)(C)C1 ZINC001246611535 804445302 /nfs/dbraw/zinc/44/53/02/804445302.db2.gz UHUBIIMOMNDMPC-VYDXJSESSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246611992 804446666 /nfs/dbraw/zinc/44/66/66/804446666.db2.gz VXWWPJWRDOIRPJ-HZPDHXFCSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246612242 804446888 /nfs/dbraw/zinc/44/68/88/804446888.db2.gz HXVWOLWIORRZDR-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614186 804448823 /nfs/dbraw/zinc/44/88/23/804448823.db2.gz MQYKPPSZGJQKSP-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246615092 804449215 /nfs/dbraw/zinc/44/92/15/804449215.db2.gz CGGDXFRAQJUSHL-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246615092 804449217 /nfs/dbraw/zinc/44/92/17/804449217.db2.gz CGGDXFRAQJUSHL-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246615831 804450965 /nfs/dbraw/zinc/45/09/65/804450965.db2.gz SVLFYWDFVQHZKZ-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[C@H]([NH+]2CCC3(CCC[NH2+]3)CC2)C1 ZINC001246620407 804454103 /nfs/dbraw/zinc/45/41/03/804454103.db2.gz BIJAJBLTGGBZNY-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246622032 804456108 /nfs/dbraw/zinc/45/61/08/804456108.db2.gz MRUAVEJOIDYUOZ-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246622032 804456109 /nfs/dbraw/zinc/45/61/09/804456109.db2.gz MRUAVEJOIDYUOZ-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)cc(Cl)c1)CC2 ZINC001140542209 804456512 /nfs/dbraw/zinc/45/65/12/804456512.db2.gz HUYUBEOEKQCVBL-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246624588 804457495 /nfs/dbraw/zinc/45/74/95/804457495.db2.gz VLXQYCOPOUWNNA-DLBZAZTESA-N 2 1 282.472 3.190 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246624588 804457496 /nfs/dbraw/zinc/45/74/96/804457496.db2.gz VLXQYCOPOUWNNA-DLBZAZTESA-N 2 1 282.472 3.190 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246632192 804461880 /nfs/dbraw/zinc/46/18/80/804461880.db2.gz UUAPZUNYMKGZOO-SLEUVZQESA-N 2 1 296.867 3.114 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246632192 804461884 /nfs/dbraw/zinc/46/18/84/804461884.db2.gz UUAPZUNYMKGZOO-SLEUVZQESA-N 2 1 296.867 3.114 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246632364 804462664 /nfs/dbraw/zinc/46/26/64/804462664.db2.gz UYLOWKNAMIOIQP-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246633668 804464256 /nfs/dbraw/zinc/46/42/56/804464256.db2.gz LRWACYUEIOMKGY-OWCLPIDISA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1CC([N@H+]2CCCC[C@]23CC[NH2+]C3)C[C@H](C)C1 ZINC001246641764 804468935 /nfs/dbraw/zinc/46/89/35/804468935.db2.gz FLQGRPIPABXJBQ-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246642563 804470887 /nfs/dbraw/zinc/47/08/87/804470887.db2.gz CJFVQAADWLPQMC-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)CCC[NH3+] ZINC001246678405 804492718 /nfs/dbraw/zinc/49/27/18/804492718.db2.gz DMIKIZPZHNPMDF-JTQLQIEISA-N 2 1 275.223 3.205 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246646738 804474259 /nfs/dbraw/zinc/47/42/59/804474259.db2.gz HPYFUDAQGVJPMC-KAXARAQCSA-N 2 1 298.474 3.329 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246646738 804474262 /nfs/dbraw/zinc/47/42/62/804474262.db2.gz HPYFUDAQGVJPMC-KAXARAQCSA-N 2 1 298.474 3.329 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246647591 804475103 /nfs/dbraw/zinc/47/51/03/804475103.db2.gz UBSDMHUJPHYLTP-BTRQGYIVSA-N 2 1 284.447 3.224 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001246649939 804477094 /nfs/dbraw/zinc/47/70/94/804477094.db2.gz RZODZQRIAQCXKV-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246650985 804478732 /nfs/dbraw/zinc/47/87/32/804478732.db2.gz VKAPFRGWCMYAQE-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246650669 804479377 /nfs/dbraw/zinc/47/93/77/804479377.db2.gz BDIDQRMNGGBJOK-XYJFISCASA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[C@@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656337 804482549 /nfs/dbraw/zinc/48/25/49/804482549.db2.gz NMXYKIBWLUYMEX-XQQFMLRXSA-N 2 1 278.362 3.039 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001246663465 804485079 /nfs/dbraw/zinc/48/50/79/804485079.db2.gz VCMBTSBYVRPQSI-ZMSDIMECSA-N 2 1 290.476 3.159 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001246663439 804485385 /nfs/dbraw/zinc/48/53/85/804485385.db2.gz KGGWFHBUIUIWRP-CKEIUWERSA-N 2 1 290.838 3.011 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246664745 804486540 /nfs/dbraw/zinc/48/65/40/804486540.db2.gz OREUZBXGGNIVKY-JGGQBBKZSA-N 2 1 278.827 3.084 20 0 CGADMP CCCC1CCC([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001246664334 804486712 /nfs/dbraw/zinc/48/67/12/804486712.db2.gz MTANXPMDUAKCKN-GYTBAZASSA-N 2 1 250.430 3.159 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246669960 804487862 /nfs/dbraw/zinc/48/78/62/804487862.db2.gz DCNZOUCQYADLNF-YMPIPDKKSA-N 2 1 296.458 3.107 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246671135 804489388 /nfs/dbraw/zinc/48/93/88/804489388.db2.gz ACAVTGUTMHIJLE-MJGOQNOKSA-N 2 1 286.463 3.185 20 0 CGADMP CCC[C@H](C)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246677495 804491287 /nfs/dbraw/zinc/49/12/87/804491287.db2.gz VIRIUOCQIDOVAF-CGTJXYLNSA-N 2 1 272.436 3.397 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C[C@@H]21 ZINC001246679058 804494854 /nfs/dbraw/zinc/49/48/54/804494854.db2.gz RIGUJHWTGIAHOW-JJTUDDRGSA-N 2 1 276.468 3.133 20 0 CGADMP C[N@@H+](C1CC[NH2+]CC1)C1CCC(Cc2ccccc2)CC1 ZINC001246685447 804495517 /nfs/dbraw/zinc/49/55/17/804495517.db2.gz DPFUBLCXBXJMQA-UHFFFAOYSA-N 2 1 286.463 3.472 20 0 CGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246690644 804497884 /nfs/dbraw/zinc/49/78/84/804497884.db2.gz KYBIPEPOZMBTIR-HOTGVXAUSA-N 2 1 268.420 3.123 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246770279 804502258 /nfs/dbraw/zinc/50/22/58/804502258.db2.gz PKIRBXQFJBLYER-GJZGRUSLSA-N 2 1 266.816 3.302 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246768933 804502303 /nfs/dbraw/zinc/50/23/03/804502303.db2.gz HBKVZJBAOXFTNB-ROUUACIJSA-N 2 1 272.436 3.349 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246774273 804503984 /nfs/dbraw/zinc/50/39/84/804503984.db2.gz FPDFHHNVODUYRX-MSOLQXFVSA-N 2 1 274.452 3.459 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246771285 804504779 /nfs/dbraw/zinc/50/47/79/804504779.db2.gz XWIZBVUERVJOOD-RDJZCZTQSA-N 2 1 260.425 3.429 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246774484 804504883 /nfs/dbraw/zinc/50/48/83/804504883.db2.gz GERVQQHWHAZRJZ-QRVBRYPASA-N 2 1 286.463 3.472 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246778348 804506441 /nfs/dbraw/zinc/50/64/41/804506441.db2.gz ULSVZWNJBXBLJK-ZWKOTPCHSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC(CCc3ccccc3)CC2)C[NH2+]1 ZINC001246783005 804509294 /nfs/dbraw/zinc/50/92/94/804509294.db2.gz VGFLGIAPJIOOOR-APWZRJJASA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2CCCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784341 804510613 /nfs/dbraw/zinc/51/06/13/804510613.db2.gz FZLYRLPATCJEMA-VBQJREDUSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784341 804510615 /nfs/dbraw/zinc/51/06/15/804510615.db2.gz FZLYRLPATCJEMA-VBQJREDUSA-N 2 1 276.399 3.493 20 0 CGADMP CCN(CC[NH+](CC)CC)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256916532 807011436 /nfs/dbraw/zinc/01/14/36/807011436.db2.gz FOLKBRCKGRRQTR-SFHVURJKSA-N 2 1 295.515 3.057 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246787471 804511266 /nfs/dbraw/zinc/51/12/66/804511266.db2.gz CXOWJKZRAPHMPJ-LSDHHAIUSA-N 2 1 250.430 3.316 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246791069 804513687 /nfs/dbraw/zinc/51/36/87/804513687.db2.gz JEELNKAYQWBSFF-IVSAIRAKSA-N 2 1 288.435 3.361 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@H](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246791839 804515456 /nfs/dbraw/zinc/51/54/56/804515456.db2.gz MUFXNWDEBBQAQG-BFYDXBDKSA-N 2 1 272.436 3.080 20 0 CGADMP C[N@@H+](C1CCCC1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246796832 804520178 /nfs/dbraw/zinc/52/01/78/804520178.db2.gz MMWKVJFYZDVOGI-SJLPKXTDSA-N 2 1 272.436 3.224 20 0 CGADMP c1cc2c(s1)CC[N@H+](Cc1c[nH]c3ccncc13)C2 ZINC001140801030 804521253 /nfs/dbraw/zinc/52/12/53/804521253.db2.gz FPGDYRATIIIDJB-UHFFFAOYSA-N 2 1 269.373 3.183 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001140807295 804524003 /nfs/dbraw/zinc/52/40/03/804524003.db2.gz UHTWPDDDMYEMJV-LRDDRELGSA-N 2 1 255.365 3.327 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001140807295 804524007 /nfs/dbraw/zinc/52/40/07/804524007.db2.gz UHTWPDDDMYEMJV-LRDDRELGSA-N 2 1 255.365 3.327 20 0 CGADMP C[NH2+]C1CC[NH+]([C@@H](C)CSc2ccc(C)cc2)CC1 ZINC001246808424 804524935 /nfs/dbraw/zinc/52/49/35/804524935.db2.gz XBPITKZRZZVPPL-AWEZNQCLSA-N 2 1 278.465 3.159 20 0 CGADMP CC[C@@H]1CC([N@H+]2CC[C@H](C)C[C@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246811839 804528231 /nfs/dbraw/zinc/52/82/31/804528231.db2.gz XTYGRTGBVXUPAP-GBJTYRQASA-N 2 1 252.446 3.416 20 0 CGADMP C[NH2+][C@@H]1CC[N@@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246813438 804530509 /nfs/dbraw/zinc/53/05/09/804530509.db2.gz LNZHVGFHVATBGG-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C[NH2+][C@@H]1CC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246813438 804530513 /nfs/dbraw/zinc/53/05/13/804530513.db2.gz LNZHVGFHVATBGG-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246822663 804536704 /nfs/dbraw/zinc/53/67/04/804536704.db2.gz MIZQSLDOJJEIQE-HFTRVMKXSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@@H]1CC([N@@H+]2Cc3cccc(F)c3C2)C[C@@H](CC)[NH2+]1 ZINC001246825549 804538494 /nfs/dbraw/zinc/53/84/94/804538494.db2.gz VQWFTRHEAIIJEQ-ZIAGYGMSSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@@H]1CC([N@H+]2Cc3cccc(F)c3C2)C[C@@H](CC)[NH2+]1 ZINC001246825549 804538498 /nfs/dbraw/zinc/53/84/98/804538498.db2.gz VQWFTRHEAIIJEQ-ZIAGYGMSSA-N 2 1 276.399 3.451 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246827716 804539176 /nfs/dbraw/zinc/53/91/76/804539176.db2.gz OFKGLTFEEDUSGV-RDTXWAMCSA-N 2 1 290.426 3.221 20 0 CGADMP C1CC2(C[NH2+]1)CCC([N@H+]1CC[C@H]3CCCC[C@H]3C1)CC2 ZINC001246832399 804540022 /nfs/dbraw/zinc/54/00/22/804540022.db2.gz GONUOUOOMQSKBL-VEZWFGLTSA-N 2 1 276.468 3.421 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CCC[C@H]3CCCC[C@@H]31)CC2 ZINC001246832416 804541279 /nfs/dbraw/zinc/54/12/79/804541279.db2.gz GPIPVIFKECOIRL-ZBFHGGJFSA-N 2 1 262.441 3.173 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246837504 804545704 /nfs/dbraw/zinc/54/57/04/804545704.db2.gz USYFTDKTVQYIAM-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246841089 804550560 /nfs/dbraw/zinc/55/05/60/804550560.db2.gz SSDWFWWHQHQBOK-INIZCTEOSA-N 2 1 276.399 3.322 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001246841879 804550824 /nfs/dbraw/zinc/55/08/24/804550824.db2.gz PHHVPFNXLFLUDB-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246842636 804551016 /nfs/dbraw/zinc/55/10/16/804551016.db2.gz UIYRZHUHAVOQFM-CYGHRXIMSA-N 2 1 272.436 3.458 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246842636 804551017 /nfs/dbraw/zinc/55/10/17/804551017.db2.gz UIYRZHUHAVOQFM-CYGHRXIMSA-N 2 1 272.436 3.458 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246843861 804551813 /nfs/dbraw/zinc/55/18/13/804551813.db2.gz WXLUKOAOOSYGCD-ZSXDVEMLSA-N 2 1 284.447 3.382 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246844612 804553834 /nfs/dbraw/zinc/55/38/34/804553834.db2.gz ZSWJPPWMFIQCPN-UONOGXRCSA-N 2 1 280.843 3.202 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246845794 804554355 /nfs/dbraw/zinc/55/43/55/804554355.db2.gz LXSRINKTYKMMLS-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246846502 804556029 /nfs/dbraw/zinc/55/60/29/804556029.db2.gz OFLFOGTXLCHPAP-BZUAXINKSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850234 804559682 /nfs/dbraw/zinc/55/96/82/804559682.db2.gz INUPMCRATMKHEO-INWMFGNUSA-N 2 1 278.827 3.270 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC001246851541 804562516 /nfs/dbraw/zinc/56/25/16/804562516.db2.gz KTSSUJWETJBRDL-IVMMDQJWSA-N 2 1 278.827 3.270 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246853603 804563563 /nfs/dbraw/zinc/56/35/63/804563563.db2.gz NCQKATSOIAGJIB-BDXSIMOUSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001246854701 804564318 /nfs/dbraw/zinc/56/43/18/804564318.db2.gz QQHNXBZYYIWFMC-YOEHRIQHSA-N 2 1 262.441 3.303 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+]2CC=C(c3ccccc3)CC2)CC[NH2+]1 ZINC001246862050 804565443 /nfs/dbraw/zinc/56/54/43/804565443.db2.gz VBKCOXVCDAHMOM-ZWKOTPCHSA-N 2 1 270.420 3.306 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246859687 804566588 /nfs/dbraw/zinc/56/65/88/804566588.db2.gz MOJBZLUUKBNWQT-INMHGKMJSA-N 2 1 298.434 3.047 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246862626 804567587 /nfs/dbraw/zinc/56/75/87/804567587.db2.gz LYEXBTOUPZVKFJ-FVQHAEBGSA-N 2 1 276.399 3.321 20 0 CGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3ncco3)CC2)CC1 ZINC001141010202 804568892 /nfs/dbraw/zinc/56/88/92/804568892.db2.gz JEMRTBVUPXMNRM-UHFFFAOYSA-N 2 1 291.439 3.009 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246869896 804571392 /nfs/dbraw/zinc/57/13/92/804571392.db2.gz XHBUVVHJWNJUBC-LXZKKBNFSA-N 2 1 258.409 3.136 20 0 CGADMP CC[N@@H+](Cc1c(F)cccc1Cl)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246878873 804576753 /nfs/dbraw/zinc/57/67/53/804576753.db2.gz KTODYDSRPYERSQ-CLLJXQQHSA-N 2 1 296.817 3.299 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246882175 804577855 /nfs/dbraw/zinc/57/78/55/804577855.db2.gz LKYPIMPYGLSHMT-HOCLYGCPSA-N 2 1 278.465 3.492 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC[NH2+]1 ZINC001246884330 804579189 /nfs/dbraw/zinc/57/91/89/804579189.db2.gz AJBQJNUMHYJBPE-RCJHGTSTSA-N 2 1 284.447 3.350 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246884047 804580026 /nfs/dbraw/zinc/58/00/26/804580026.db2.gz RZSSJDATPCDFDB-BHUNQDJPSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246889447 804583239 /nfs/dbraw/zinc/58/32/39/804583239.db2.gz QHNUORHXIJJFNS-QRVBRYPASA-N 2 1 286.463 3.470 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+](C)CCCC[NH3+] ZINC001246896159 804584975 /nfs/dbraw/zinc/58/49/75/804584975.db2.gz XWRGRIDYFXATNS-KRWDZBQOSA-N 2 1 262.441 3.459 20 0 CGADMP CCC[N@@H+]([C@H](C)Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246901136 804588045 /nfs/dbraw/zinc/58/80/45/804588045.db2.gz YZVBOSRWUBRKIP-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)CC[NH2+]1 ZINC001246906235 804591882 /nfs/dbraw/zinc/59/18/82/804591882.db2.gz DEDYTDZHXJUOFG-IAGOWNOFSA-N 2 1 260.425 3.266 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1F)C1CCC([NH2+]C)CC1 ZINC001246909908 804593036 /nfs/dbraw/zinc/59/30/36/804593036.db2.gz RVSWPQYFMYPZTK-UHFFFAOYSA-N 2 1 282.378 3.317 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1F)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246909379 804593801 /nfs/dbraw/zinc/59/38/01/804593801.db2.gz PTBXPXLAOHGORE-WMLDXEAASA-N 2 1 294.389 3.319 20 0 CGADMP c1ccc(C[C@@H]2C[C@@H]([N@@H+](CC3CC3)C3CC3)CC[NH2+]2)cc1 ZINC001246915792 804599091 /nfs/dbraw/zinc/59/90/91/804599091.db2.gz YXECUWOFZVWLMZ-MJGOQNOKSA-N 2 1 284.447 3.224 20 0 CGADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246922822 804602280 /nfs/dbraw/zinc/60/22/80/804602280.db2.gz XWFFQXXZGXFYJZ-ILXRZTDVSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246922822 804602284 /nfs/dbraw/zinc/60/22/84/804602284.db2.gz XWFFQXXZGXFYJZ-ILXRZTDVSA-N 2 1 250.430 3.172 20 0 CGADMP C1CC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[C@H]2C1 ZINC001246921641 804602433 /nfs/dbraw/zinc/60/24/33/804602433.db2.gz SJPODRXIJSBZQH-OVYGPGRDSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC[C@H]2C1 ZINC001246921641 804602437 /nfs/dbraw/zinc/60/24/37/804602437.db2.gz SJPODRXIJSBZQH-OVYGPGRDSA-N 2 1 262.441 3.172 20 0 CGADMP CSCC[C@@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246946556 804613721 /nfs/dbraw/zinc/61/37/21/804613721.db2.gz NUAAOLXRMXWLBJ-CYBMUJFWSA-N 2 1 272.502 3.228 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@H]12 ZINC001246972028 804622714 /nfs/dbraw/zinc/62/27/14/804622714.db2.gz CEWDWIDFLWDXHC-KPZODNFCSA-N 2 1 298.474 3.457 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC(C)(C)CC1 ZINC001246974546 804624469 /nfs/dbraw/zinc/62/44/69/804624469.db2.gz KAWYSKKRCDFDIA-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(CC)CC1 ZINC001246977635 804626202 /nfs/dbraw/zinc/62/62/02/804626202.db2.gz SHMXXIUKRHGVID-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246981070 804627839 /nfs/dbraw/zinc/62/78/39/804627839.db2.gz UDRNMXHPWWGNNV-RBUKOAKNSA-N 2 1 298.474 3.473 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246979604 804627974 /nfs/dbraw/zinc/62/79/74/804627974.db2.gz ZUBYZZVGGZTGQP-RFBLXINOSA-N 2 1 252.446 3.260 20 0 CGADMP COc1ccsc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001141324306 804631367 /nfs/dbraw/zinc/63/13/67/804631367.db2.gz BIGXDHFFGQOUMA-UHFFFAOYSA-N 2 1 296.480 3.309 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC001246998075 804633425 /nfs/dbraw/zinc/63/34/25/804633425.db2.gz ABOAZQURDPUBPJ-CKEIUWERSA-N 2 1 290.426 3.362 20 0 CGADMP CCC[C@H](C)[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001246999974 804633911 /nfs/dbraw/zinc/63/39/11/804633911.db2.gz DLPGQFPZYFMDLN-AWEZNQCLSA-N 2 1 258.409 3.270 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247000798 804634637 /nfs/dbraw/zinc/63/46/37/804634637.db2.gz IKZBUUFGPFRAPR-WBMJQRKESA-N 2 1 298.833 3.471 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247000798 804634643 /nfs/dbraw/zinc/63/46/43/804634643.db2.gz IKZBUUFGPFRAPR-WBMJQRKESA-N 2 1 298.833 3.471 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247002713 804635903 /nfs/dbraw/zinc/63/59/03/804635903.db2.gz OCQSDJXHGRYZRO-MLGOLLRUSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247002713 804635909 /nfs/dbraw/zinc/63/59/09/804635909.db2.gz OCQSDJXHGRYZRO-MLGOLLRUSA-N 2 1 298.833 3.471 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001247003725 804636059 /nfs/dbraw/zinc/63/60/59/804636059.db2.gz PSJMLTQNBPYBSV-MAUKXSAKSA-N 2 1 274.452 3.241 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC001247005526 804637839 /nfs/dbraw/zinc/63/78/39/804637839.db2.gz SDRJQBIBVYVWCI-KURKYZTESA-N 2 1 290.426 3.363 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247016763 804644863 /nfs/dbraw/zinc/64/48/63/804644863.db2.gz XTBJZGUFNSQCCC-XGHPGWEVSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247016763 804644865 /nfs/dbraw/zinc/64/48/65/804644865.db2.gz XTBJZGUFNSQCCC-XGHPGWEVSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc[nH+]c(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001165301393 806989832 /nfs/dbraw/zinc/98/98/32/806989832.db2.gz VWPWRPMRDLNVDZ-LBPRGKRZSA-N 2 1 299.340 3.043 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(F)c(F)c1 ZINC001143610953 804874816 /nfs/dbraw/zinc/87/48/16/804874816.db2.gz LOHMMLZPFQOOKR-UHFFFAOYSA-N 2 1 284.394 3.437 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@H](C)O[C@@H](C)C1 ZINC001257083118 807047421 /nfs/dbraw/zinc/04/74/21/807047421.db2.gz FSDAHQRCOAXFGY-PMPSAXMXSA-N 2 1 290.451 3.039 20 0 CGADMP C[NH+](C)CCCC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001250162988 805453238 /nfs/dbraw/zinc/45/32/38/805453238.db2.gz XSHXCPMRZGMJIV-UHFFFAOYSA-N 2 1 258.409 3.161 20 0 CGADMP CC(C)c1ccc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]c1 ZINC001155023973 805525412 /nfs/dbraw/zinc/52/54/12/805525412.db2.gz GJCSNHVYYIGVKF-ZFWWWQNUSA-N 2 1 261.413 3.253 20 0 CGADMP Cc1cc2cc[nH]c2c(NCC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001165263105 806983620 /nfs/dbraw/zinc/98/36/20/806983620.db2.gz YYMQUBUOUAQBDG-CYBMUJFWSA-N 2 1 272.396 3.015 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001257215423 807062066 /nfs/dbraw/zinc/06/20/66/807062066.db2.gz WAFOPEATROSALX-CYBMUJFWSA-N 2 1 296.352 3.083 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001257215423 807062074 /nfs/dbraw/zinc/06/20/74/807062074.db2.gz WAFOPEATROSALX-CYBMUJFWSA-N 2 1 296.352 3.083 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001257222979 807066082 /nfs/dbraw/zinc/06/60/82/807066082.db2.gz IPLNAZCSMWQMCJ-SFHVURJKSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001257222979 807066091 /nfs/dbraw/zinc/06/60/91/807066091.db2.gz IPLNAZCSMWQMCJ-SFHVURJKSA-N 2 1 272.436 3.479 20 0 CGADMP CCCC(CCC)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001257336787 807113143 /nfs/dbraw/zinc/11/31/43/807113143.db2.gz HPGPDEFDWYQJOM-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C(C)(C)C ZINC001167510049 807200796 /nfs/dbraw/zinc/20/07/96/807200796.db2.gz SXIZTSSWCWQAHX-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001167510049 807200804 /nfs/dbraw/zinc/20/08/04/807200804.db2.gz SXIZTSSWCWQAHX-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001167510049 807200811 /nfs/dbraw/zinc/20/08/11/807200811.db2.gz SXIZTSSWCWQAHX-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP CC1(C)CC([NH3+])CC(C)(C)N1c1cc2[nH+]c[nH]c2cc1F ZINC001167626564 807219088 /nfs/dbraw/zinc/21/90/88/807219088.db2.gz NAJZVVFNEGRDTQ-UHFFFAOYSA-N 2 1 290.386 3.187 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2cc[nH]c21 ZINC001167754036 807243984 /nfs/dbraw/zinc/24/39/84/807243984.db2.gz TVPCKNOPEAMGAY-ZDUSSCGKSA-N 2 1 272.396 3.239 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2cc[nH]c21 ZINC001167754036 807243987 /nfs/dbraw/zinc/24/39/87/807243987.db2.gz TVPCKNOPEAMGAY-ZDUSSCGKSA-N 2 1 272.396 3.239 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167950467 807281085 /nfs/dbraw/zinc/28/10/85/807281085.db2.gz BXWUMYQOMJRCNG-INDMIFKZSA-N 2 1 284.447 3.239 20 0 CGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167950467 807281093 /nfs/dbraw/zinc/28/10/93/807281093.db2.gz BXWUMYQOMJRCNG-INDMIFKZSA-N 2 1 284.447 3.239 20 0 CGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167950467 807281098 /nfs/dbraw/zinc/28/10/98/807281098.db2.gz BXWUMYQOMJRCNG-INDMIFKZSA-N 2 1 284.447 3.239 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167950469 807281951 /nfs/dbraw/zinc/28/19/51/807281951.db2.gz BXWUMYQOMJRCNG-OKYOBFRVSA-N 2 1 284.447 3.239 20 0 CGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167950469 807281958 /nfs/dbraw/zinc/28/19/58/807281958.db2.gz BXWUMYQOMJRCNG-OKYOBFRVSA-N 2 1 284.447 3.239 20 0 CGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167950469 807281967 /nfs/dbraw/zinc/28/19/67/807281967.db2.gz BXWUMYQOMJRCNG-OKYOBFRVSA-N 2 1 284.447 3.239 20 0 CGADMP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cs1 ZINC001167963825 807287551 /nfs/dbraw/zinc/28/75/51/807287551.db2.gz FMVBDZSEFIWBKV-ALOPSCKCSA-N 2 1 290.476 3.286 20 0 CGADMP C[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981791 807289593 /nfs/dbraw/zinc/28/95/93/807289593.db2.gz KGDAVFYDRCJXIG-JTUUTPGSSA-N 2 1 262.441 3.266 20 0 CGADMP C[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981791 807289598 /nfs/dbraw/zinc/28/95/98/807289598.db2.gz KGDAVFYDRCJXIG-JTUUTPGSSA-N 2 1 262.441 3.266 20 0 CGADMP C[C@H]1C[C@H](C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995109 807294818 /nfs/dbraw/zinc/29/48/18/807294818.db2.gz WQMRIBGOUXJCTH-KSTANIPCSA-N 2 1 276.468 3.370 20 0 CGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2(CC2)C1 ZINC001168003234 807297102 /nfs/dbraw/zinc/29/71/02/807297102.db2.gz LEUMQYBTLJYKGP-KTFSGNIMSA-N 2 1 274.452 3.266 20 0 CGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2(CC2)C1 ZINC001168003234 807297110 /nfs/dbraw/zinc/29/71/10/807297110.db2.gz LEUMQYBTLJYKGP-KTFSGNIMSA-N 2 1 274.452 3.266 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH+]3CC4(CCC4)C3)CC2)cc1 ZINC001258141539 807320456 /nfs/dbraw/zinc/32/04/56/807320456.db2.gz BXDUZUUDZRMLCX-UHFFFAOYSA-N 2 1 284.447 3.179 20 0 CGADMP C[C@H]1CC([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@H](C)C1 ZINC001258155353 807324662 /nfs/dbraw/zinc/32/46/62/807324662.db2.gz DCAYEIXEMCOPPO-HUUCEWRRSA-N 2 1 287.451 3.156 20 0 CGADMP C[C@@H]1CC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@@H](C)C1 ZINC001258166722 807332308 /nfs/dbraw/zinc/33/23/08/807332308.db2.gz YXDUISLDWZDQSQ-GJZGRUSLSA-N 2 1 276.468 3.229 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001168191493 807343276 /nfs/dbraw/zinc/34/32/76/807343276.db2.gz FUKZHTWHXDKSPT-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001168191493 807343284 /nfs/dbraw/zinc/34/32/84/807343284.db2.gz FUKZHTWHXDKSPT-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001168191493 807343292 /nfs/dbraw/zinc/34/32/92/807343292.db2.gz FUKZHTWHXDKSPT-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP Cc1cnccc1O[C@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC001168225159 807356652 /nfs/dbraw/zinc/35/66/52/807356652.db2.gz TUTJRKJBNPGATA-BCLQGDPASA-N 2 1 274.408 3.422 20 0 CGADMP CSCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001258207288 807363468 /nfs/dbraw/zinc/36/34/68/807363468.db2.gz CNDNMZVLMZMHOQ-LSDHHAIUSA-N 2 1 280.481 3.225 20 0 CGADMP CC(C)C[N@H+](C1CCC([NH+](C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168312408 807379007 /nfs/dbraw/zinc/37/90/07/807379007.db2.gz VHNMKXIFRWCQIX-HFFNAHSWSA-N 3 1 295.515 3.087 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001168324233 807384304 /nfs/dbraw/zinc/38/43/04/807384304.db2.gz LHLXDINSMLADIU-KLAILNCOSA-N 2 1 287.451 3.134 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC001168328211 807386135 /nfs/dbraw/zinc/38/61/35/807386135.db2.gz ZTJUCCDQTHVLPX-UHFFFAOYSA-N 2 1 281.831 3.040 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](Cc2ccco2)C2CC2)CC1 ZINC001168329470 807386279 /nfs/dbraw/zinc/38/62/79/807386279.db2.gz VIMDFVZGYSVISE-UHFFFAOYSA-N 2 1 262.397 3.117 20 0 CGADMP C[N@@H+](CCc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168370947 807397464 /nfs/dbraw/zinc/39/74/64/807397464.db2.gz IYZWVNXYPWFWPC-UHFFFAOYSA-N 2 1 272.436 3.035 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001168496843 807436246 /nfs/dbraw/zinc/43/62/46/807436246.db2.gz LQCXBXHTNSLLAV-ZDUSSCGKSA-N 2 1 287.382 3.293 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258439713 807451891 /nfs/dbraw/zinc/45/18/91/807451891.db2.gz LWNFCWKQOGDPRU-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@@H](CC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258439713 807451893 /nfs/dbraw/zinc/45/18/93/807451893.db2.gz LWNFCWKQOGDPRU-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@@H](CC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258439713 807451898 /nfs/dbraw/zinc/45/18/98/807451898.db2.gz LWNFCWKQOGDPRU-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[N@@H+]([C@@H](C)CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258457135 807463259 /nfs/dbraw/zinc/46/32/59/807463259.db2.gz SSUYMNWXUQVMNC-BPUTZDHNSA-N 2 1 252.446 3.403 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)n1c[nH+]cc1CC[NH3+] ZINC001258671607 807536114 /nfs/dbraw/zinc/53/61/14/807536114.db2.gz BFYIAJXMPJJHBS-JTQLQIEISA-N 2 1 298.217 3.495 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697507 807551780 /nfs/dbraw/zinc/55/17/80/807551780.db2.gz QUTFVZCAHJRCQE-LVQVYYBASA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697507 807551783 /nfs/dbraw/zinc/55/17/83/807551783.db2.gz QUTFVZCAHJRCQE-LVQVYYBASA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697507 807551787 /nfs/dbraw/zinc/55/17/87/807551787.db2.gz QUTFVZCAHJRCQE-LVQVYYBASA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169082496 807569050 /nfs/dbraw/zinc/56/90/50/807569050.db2.gz ZWMPQVKAAFHKGD-LLLHUVSDSA-N 2 1 258.409 3.005 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C2 ZINC001169090862 807572205 /nfs/dbraw/zinc/57/22/05/807572205.db2.gz MJWLMHQHMANMMI-MOIJGLSHSA-N 2 1 290.373 3.322 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC001169091652 807572213 /nfs/dbraw/zinc/57/22/13/807572213.db2.gz UDPYJKODABYAFV-VQSBQWOOSA-N 2 1 274.452 3.026 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001169100965 807575808 /nfs/dbraw/zinc/57/58/08/807575808.db2.gz NCBAASGWWMRHKP-VPKNTQAGSA-N 2 1 270.420 3.450 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101211 807577808 /nfs/dbraw/zinc/57/78/08/807577808.db2.gz PGJGATIPFDRWCC-DFGXFYAUSA-N 2 1 299.462 3.220 20 0 CGADMP C[C@@H]([NH3+])Cc1cn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169108922 807579532 /nfs/dbraw/zinc/57/95/32/807579532.db2.gz WDODEHVGXCBYMY-SIXLDLHFSA-N 2 1 297.446 3.329 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169118033 807583863 /nfs/dbraw/zinc/58/38/63/807583863.db2.gz CEXZWWOEVBQRMP-CUSZFKRNSA-N 2 1 285.435 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001169124814 807585211 /nfs/dbraw/zinc/58/52/11/807585211.db2.gz UGXTYTPDFVTONV-VQHPVUNQSA-N 2 1 290.838 3.022 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139001 807588232 /nfs/dbraw/zinc/58/82/32/807588232.db2.gz LOUKJXXFNQPDPS-FVQHAEBGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccccc1C[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139001 807588235 /nfs/dbraw/zinc/58/82/35/807588235.db2.gz LOUKJXXFNQPDPS-FVQHAEBGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccccc1C[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139001 807588236 /nfs/dbraw/zinc/58/82/36/807588236.db2.gz LOUKJXXFNQPDPS-FVQHAEBGSA-N 2 1 258.409 3.052 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccc(F)cc3)C1)C2 ZINC001169143465 807589632 /nfs/dbraw/zinc/58/96/32/807589632.db2.gz FPNAIHVUOXFRLU-NRSFXHEJSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3ccc(F)cc3)C1)C2 ZINC001169143465 807589635 /nfs/dbraw/zinc/58/96/35/807589635.db2.gz FPNAIHVUOXFRLU-NRSFXHEJSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3ccc(F)cc3)C1)C2 ZINC001169143465 807589636 /nfs/dbraw/zinc/58/96/36/807589636.db2.gz FPNAIHVUOXFRLU-NRSFXHEJSA-N 2 1 288.410 3.240 20 0 CGADMP COc1ccccc1[C@@H](C)[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147017 807593125 /nfs/dbraw/zinc/59/31/25/807593125.db2.gz REVOPDFTJIGJIF-WCVJEAGWSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147017 807593130 /nfs/dbraw/zinc/59/31/30/807593130.db2.gz REVOPDFTJIGJIF-WCVJEAGWSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147017 807593133 /nfs/dbraw/zinc/59/31/33/807593133.db2.gz REVOPDFTJIGJIF-WCVJEAGWSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147017 807593138 /nfs/dbraw/zinc/59/31/38/807593138.db2.gz REVOPDFTJIGJIF-WCVJEAGWSA-N 2 1 288.435 3.313 20 0 CGADMP CNc1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c[nH+]1 ZINC001169145354 807593174 /nfs/dbraw/zinc/59/31/74/807593174.db2.gz OVIMZMCAQMNMCU-XJKSGUPXSA-N 2 1 276.428 3.079 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258781718 807608558 /nfs/dbraw/zinc/60/85/58/807608558.db2.gz ZPTLNVYEQNHELJ-DGXTUMSLSA-N 2 1 252.446 3.416 20 0 CGADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001169262188 807617852 /nfs/dbraw/zinc/61/78/52/807617852.db2.gz VYARQYXXRHHPGU-GASCZTMLSA-N 2 1 270.420 3.057 20 0 CGADMP CC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001169262188 807617856 /nfs/dbraw/zinc/61/78/56/807617856.db2.gz VYARQYXXRHHPGU-GASCZTMLSA-N 2 1 270.420 3.057 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001258797196 807618784 /nfs/dbraw/zinc/61/87/84/807618784.db2.gz KUUORUQSVQWARL-XUWVNRHRSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccc(OC)c2)CC1 ZINC001169266201 807619360 /nfs/dbraw/zinc/61/93/60/807619360.db2.gz UJQIQRCHOAFOGL-SFHVURJKSA-N 2 1 288.435 3.316 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccc(OC)c2)CC1 ZINC001169266201 807619364 /nfs/dbraw/zinc/61/93/64/807619364.db2.gz UJQIQRCHOAFOGL-SFHVURJKSA-N 2 1 288.435 3.316 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258898733 807669271 /nfs/dbraw/zinc/66/92/71/807669271.db2.gz QTMCTQJRFFENIU-QGZVFWFLSA-N 3 1 285.520 3.209 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258904964 807671526 /nfs/dbraw/zinc/67/15/26/807671526.db2.gz SKGGSOLZIANSNY-KZNAEPCWSA-N 3 1 297.531 3.477 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261483600 807748800 /nfs/dbraw/zinc/74/88/00/807748800.db2.gz YAKKZLRFMGXZAB-UHFFFAOYSA-N 2 1 290.426 3.354 20 0 CGADMP Cc1ncc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)s1 ZINC001262198855 807836598 /nfs/dbraw/zinc/83/65/98/807836598.db2.gz VTXNOZQEKUFHNS-UHFFFAOYSA-N 2 1 281.469 3.052 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)CCc1ccc(F)cc1 ZINC001262366737 807858684 /nfs/dbraw/zinc/85/86/84/807858684.db2.gz UEDBBRLTIDAQMA-UHFFFAOYSA-N 2 1 278.415 3.176 20 0 CGADMP CC(C)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262379268 807863259 /nfs/dbraw/zinc/86/32/59/807863259.db2.gz WIUOGWKHXOYLGD-ARFHVFGLSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cs1 ZINC001262378793 807863954 /nfs/dbraw/zinc/86/39/54/807863954.db2.gz LQAWNBWXXRHVEH-HRCADAONSA-N 2 1 278.465 3.219 20 0 CGADMP Cn1c[nH+]cc1C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001262727519 807901370 /nfs/dbraw/zinc/90/13/70/807901370.db2.gz PNPJUPLEMCSATN-UHFFFAOYSA-N 2 1 292.386 3.352 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CCCOCC2)CC1 ZINC001170800750 807909972 /nfs/dbraw/zinc/90/99/72/807909972.db2.gz HLWDEGNLPDZCQD-XIRDDKMYSA-N 2 1 280.456 3.070 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1NCC[C@@H](C)[NH3+] ZINC001170895378 807927127 /nfs/dbraw/zinc/92/71/27/807927127.db2.gz SDCJINAAFYPYQW-CQSZACIVSA-N 2 1 261.413 3.135 20 0 CGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170947752 807941948 /nfs/dbraw/zinc/94/19/48/807941948.db2.gz ATEUDQGCJHLEGF-QGZVFWFLSA-N 2 1 298.405 3.144 20 0 CGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170947752 807941953 /nfs/dbraw/zinc/94/19/53/807941953.db2.gz ATEUDQGCJHLEGF-QGZVFWFLSA-N 2 1 298.405 3.144 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170997009 807953359 /nfs/dbraw/zinc/95/33/59/807953359.db2.gz PVPUAYXAPIGIKV-MRXNPFEDSA-N 2 1 290.426 3.101 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001171551975 808092751 /nfs/dbraw/zinc/09/27/51/808092751.db2.gz SVYIEFDWYDMNLU-ZJPYXAASSA-N 2 1 284.447 3.067 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001171559415 808095901 /nfs/dbraw/zinc/09/59/01/808095901.db2.gz FBCJBEBMUZJKMN-MKXGPGLRSA-N 2 1 298.474 3.457 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001171559415 808095905 /nfs/dbraw/zinc/09/59/05/808095905.db2.gz FBCJBEBMUZJKMN-MKXGPGLRSA-N 2 1 298.474 3.457 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(F)CCCCC1)C2 ZINC001172100137 808171320 /nfs/dbraw/zinc/17/13/20/808171320.db2.gz PIKFMQSIMRWEPJ-QKDCVEJESA-N 2 1 268.420 3.264 20 0 CGADMP Cc1ccccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098875 808172936 /nfs/dbraw/zinc/17/29/36/808172936.db2.gz CXDHLTUHRKQTHF-BJWYYQGGSA-N 2 1 258.409 3.100 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001172104707 808174603 /nfs/dbraw/zinc/17/46/03/808174603.db2.gz CKVRVVREJLKEOW-DZUCGIPZSA-N 2 1 288.435 3.101 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCc1ccc(F)cc1)C2 ZINC001172108774 808175933 /nfs/dbraw/zinc/17/59/33/808175933.db2.gz YZRYIHUBTFAONB-BCDXTJNWSA-N 2 1 290.426 3.363 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCOc1ccccc1)C2 ZINC001172107144 808176827 /nfs/dbraw/zinc/17/68/27/808176827.db2.gz STXXKCNXHDDDEZ-BJWYYQGGSA-N 2 1 288.435 3.060 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3sccc31)C2 ZINC001172110035 808178452 /nfs/dbraw/zinc/17/84/52/808178452.db2.gz ITTSOTVQVVBEAT-GUIRCDHDSA-N 2 1 276.449 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3sccc31)C2 ZINC001172110035 808178454 /nfs/dbraw/zinc/17/84/54/808178454.db2.gz ITTSOTVQVVBEAT-GUIRCDHDSA-N 2 1 276.449 3.340 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172111117 808178481 /nfs/dbraw/zinc/17/84/81/808178481.db2.gz QCHNUVJOKCRROK-RBVVOMGSSA-N 2 1 294.483 3.328 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172111117 808178483 /nfs/dbraw/zinc/17/84/83/808178483.db2.gz QCHNUVJOKCRROK-RBVVOMGSSA-N 2 1 294.483 3.328 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CC1CC1)C2 ZINC001172112320 808179105 /nfs/dbraw/zinc/17/91/05/808179105.db2.gz USRZVTHEKPFSKL-QKDCVEJESA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CC1CC1)C2 ZINC001172112320 808179108 /nfs/dbraw/zinc/17/91/08/808179108.db2.gz USRZVTHEKPFSKL-QKDCVEJESA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cccnc1)C2 ZINC001172114360 808179740 /nfs/dbraw/zinc/17/97/40/808179740.db2.gz RAMKGTZEOUVJIJ-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cccnc1)C2 ZINC001172114360 808179745 /nfs/dbraw/zinc/17/97/45/808179745.db2.gz RAMKGTZEOUVJIJ-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1cccnc1)C2 ZINC001172114360 808179750 /nfs/dbraw/zinc/17/97/50/808179750.db2.gz RAMKGTZEOUVJIJ-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1cccnc1)C2 ZINC001172114360 808179755 /nfs/dbraw/zinc/17/97/55/808179755.db2.gz RAMKGTZEOUVJIJ-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3ccncc31)C2 ZINC001172113556 808180005 /nfs/dbraw/zinc/18/00/05/808180005.db2.gz KHPJTYTXYMHUNO-CUSZFKRNSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3ccncc31)C2 ZINC001172113556 808180010 /nfs/dbraw/zinc/18/00/10/808180010.db2.gz KHPJTYTXYMHUNO-CUSZFKRNSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC(F)(F)CC1)C2 ZINC001172115743 808180034 /nfs/dbraw/zinc/18/00/34/808180034.db2.gz ZTSAIJUSFINEOX-WDNDVIMCSA-N 2 1 272.383 3.123 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC(F)(F)CC1)C2 ZINC001172115743 808180036 /nfs/dbraw/zinc/18/00/36/808180036.db2.gz ZTSAIJUSFINEOX-WDNDVIMCSA-N 2 1 272.383 3.123 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC(F)(F)CC1)C2 ZINC001172115743 808180040 /nfs/dbraw/zinc/18/00/40/808180040.db2.gz ZTSAIJUSFINEOX-WDNDVIMCSA-N 2 1 272.383 3.123 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC(F)(F)CC1)C2 ZINC001172115743 808180043 /nfs/dbraw/zinc/18/00/43/808180043.db2.gz ZTSAIJUSFINEOX-WDNDVIMCSA-N 2 1 272.383 3.123 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001172115757 808180583 /nfs/dbraw/zinc/18/05/83/808180583.db2.gz AAHVLIZECFJKBA-BPKGMFCQSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001172115757 808180587 /nfs/dbraw/zinc/18/05/87/808180587.db2.gz AAHVLIZECFJKBA-BPKGMFCQSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001172115757 808180591 /nfs/dbraw/zinc/18/05/91/808180591.db2.gz AAHVLIZECFJKBA-BPKGMFCQSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172115757 808180593 /nfs/dbraw/zinc/18/05/93/808180593.db2.gz AAHVLIZECFJKBA-BPKGMFCQSA-N 2 1 264.457 3.370 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172113755 808180866 /nfs/dbraw/zinc/18/08/66/808180866.db2.gz LKKUSWKXVWEMQJ-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172113755 808180871 /nfs/dbraw/zinc/18/08/71/808180871.db2.gz LKKUSWKXVWEMQJ-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172113755 808180873 /nfs/dbraw/zinc/18/08/73/808180873.db2.gz LKKUSWKXVWEMQJ-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172113755 808180878 /nfs/dbraw/zinc/18/08/78/808180878.db2.gz LKKUSWKXVWEMQJ-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3ccccc3C1)C2 ZINC001172114227 808181404 /nfs/dbraw/zinc/18/14/04/808181404.db2.gz PNYONIGUIDEZGZ-BCDXTJNWSA-N 2 1 270.420 3.060 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3ccccc3C1)C2 ZINC001172114227 808181408 /nfs/dbraw/zinc/18/14/08/808181408.db2.gz PNYONIGUIDEZGZ-BCDXTJNWSA-N 2 1 270.420 3.060 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3ccccc3C1)C2 ZINC001172114227 808181411 /nfs/dbraw/zinc/18/14/11/808181411.db2.gz PNYONIGUIDEZGZ-BCDXTJNWSA-N 2 1 270.420 3.060 20 0 CGADMP C[C@H]1CCCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123281 808185152 /nfs/dbraw/zinc/18/51/52/808185152.db2.gz ZFHOVKQDOOCRHG-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@H]1CCCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123281 808185158 /nfs/dbraw/zinc/18/51/58/808185158.db2.gz ZFHOVKQDOOCRHG-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@H]1CCCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123281 808185162 /nfs/dbraw/zinc/18/51/62/808185162.db2.gz ZFHOVKQDOOCRHG-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@H]1CCCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123281 808185165 /nfs/dbraw/zinc/18/51/65/808185165.db2.gz ZFHOVKQDOOCRHG-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172323299 808232007 /nfs/dbraw/zinc/23/20/07/808232007.db2.gz GVEZHEDIMBSZLT-BPKGMFCQSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172323299 808232012 /nfs/dbraw/zinc/23/20/12/808232012.db2.gz GVEZHEDIMBSZLT-BPKGMFCQSA-N 2 1 282.472 3.185 20 0 CGADMP CCCCCC[C@@H](CCC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001172391323 808282979 /nfs/dbraw/zinc/28/29/79/808282979.db2.gz QJYFPIOFTJLXIA-MSOLQXFVSA-N 2 1 295.515 3.138 20 0 CGADMP CC(C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172442074 808316486 /nfs/dbraw/zinc/31/64/86/808316486.db2.gz RGCBRGHKJKOPFY-WMZOPIPTSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172442074 808316492 /nfs/dbraw/zinc/31/64/92/808316492.db2.gz RGCBRGHKJKOPFY-WMZOPIPTSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001172825804 808447418 /nfs/dbraw/zinc/44/74/18/808447418.db2.gz JFHPDVYRDMKGQP-LPHOPBHVSA-N 2 1 286.463 3.174 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001172934813 808488658 /nfs/dbraw/zinc/48/86/58/808488658.db2.gz BZUIMPVFFXQMQK-KZNAEPCWSA-N 2 1 294.483 3.284 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039647 808496994 /nfs/dbraw/zinc/49/69/94/808496994.db2.gz POOCWVCEKLQJGN-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP CCCOC1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001173090682 808504844 /nfs/dbraw/zinc/50/48/44/808504844.db2.gz FRZJOFCSPJYIEH-KLAILNCOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[NH+](CCC)CC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173102569 808509123 /nfs/dbraw/zinc/50/91/23/808509123.db2.gz AGZWZCCJFNZOGZ-UHFFFAOYSA-N 3 1 297.531 3.351 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](OC)C[C@H]2C)CC1 ZINC001173116999 808515084 /nfs/dbraw/zinc/51/50/84/808515084.db2.gz IBRJCEIYIUMQIJ-RDHHWEPZSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](OC)C[C@@H]2C)CC1 ZINC001173116998 808515962 /nfs/dbraw/zinc/51/59/62/808515962.db2.gz IBRJCEIYIUMQIJ-OTBWCIGPSA-N 2 1 282.472 3.139 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001173259871 808566373 /nfs/dbraw/zinc/56/63/73/808566373.db2.gz MRJBTPVLGXNDHZ-OAHLLOKOSA-N 2 1 263.429 3.346 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001173259871 808566378 /nfs/dbraw/zinc/56/63/78/808566378.db2.gz MRJBTPVLGXNDHZ-OAHLLOKOSA-N 2 1 263.429 3.346 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001173273588 808576878 /nfs/dbraw/zinc/57/68/78/808576878.db2.gz OEULLNANMXSQFB-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001173273588 808576884 /nfs/dbraw/zinc/57/68/84/808576884.db2.gz OEULLNANMXSQFB-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP CCSC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001173292815 808592337 /nfs/dbraw/zinc/59/23/37/808592337.db2.gz RHFNJCZNQOFJDT-CYBMUJFWSA-N 2 1 258.475 3.112 20 0 CGADMP CCSC[C@@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001173307862 808603270 /nfs/dbraw/zinc/60/32/70/808603270.db2.gz JTLXZMTZNXASJY-CQSZACIVSA-N 2 1 293.480 3.090 20 0 CGADMP C[N@H+]1CCC2(CN(CC3(c4ccccc4)CCCC3)C2)C1 ZINC001274880758 808891050 /nfs/dbraw/zinc/89/10/50/808891050.db2.gz XQVWKWHJHWAUFR-UHFFFAOYSA-N 2 1 284.447 3.136 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CC3CCCCC3)C2)C1 ZINC001275038628 808899172 /nfs/dbraw/zinc/89/91/72/808899172.db2.gz FIJCSIZIMDOKKN-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001275038628 808899175 /nfs/dbraw/zinc/89/91/75/808899175.db2.gz FIJCSIZIMDOKKN-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001275038628 808899181 /nfs/dbraw/zinc/89/91/81/808899181.db2.gz FIJCSIZIMDOKKN-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275054964 808901876 /nfs/dbraw/zinc/90/18/76/808901876.db2.gz QZUQGFNIGVOZFZ-UHFFFAOYSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275056400 808902208 /nfs/dbraw/zinc/90/22/08/808902208.db2.gz RYPDUGMIAKBOIU-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275056400 808902203 /nfs/dbraw/zinc/90/22/03/808902203.db2.gz RYPDUGMIAKBOIU-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275056400 808902214 /nfs/dbraw/zinc/90/22/14/808902214.db2.gz RYPDUGMIAKBOIU-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H](C)C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275063577 808902753 /nfs/dbraw/zinc/90/27/53/808902753.db2.gz CBNLVNVYICUBRA-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H](C)C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275063577 808902754 /nfs/dbraw/zinc/90/27/54/808902754.db2.gz CBNLVNVYICUBRA-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001275298541 808927148 /nfs/dbraw/zinc/92/71/48/808927148.db2.gz QVBWVEYPQWKILR-UHFFFAOYSA-N 2 1 276.399 3.134 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275806932 808967859 /nfs/dbraw/zinc/96/78/59/808967859.db2.gz WFMGMGDDYFPIIB-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275806932 808967861 /nfs/dbraw/zinc/96/78/61/808967861.db2.gz WFMGMGDDYFPIIB-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275806932 808967864 /nfs/dbraw/zinc/96/78/64/808967864.db2.gz WFMGMGDDYFPIIB-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275806932 808967866 /nfs/dbraw/zinc/96/78/66/808967866.db2.gz WFMGMGDDYFPIIB-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1 ZINC001275835091 808969869 /nfs/dbraw/zinc/96/98/69/808969869.db2.gz LGGIBULFBAIFPU-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1nc(C)c(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)s1 ZINC001276266463 808998176 /nfs/dbraw/zinc/99/81/76/808998176.db2.gz CDZUQTHUIWNSFF-MRXNPFEDSA-N 2 1 293.480 3.068 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)s1 ZINC001276266463 808998179 /nfs/dbraw/zinc/99/81/79/808998179.db2.gz CDZUQTHUIWNSFF-MRXNPFEDSA-N 2 1 293.480 3.068 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)s1 ZINC001276266463 808998181 /nfs/dbraw/zinc/99/81/81/808998181.db2.gz CDZUQTHUIWNSFF-MRXNPFEDSA-N 2 1 293.480 3.068 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)s1 ZINC001276266463 808998185 /nfs/dbraw/zinc/99/81/85/808998185.db2.gz CDZUQTHUIWNSFF-MRXNPFEDSA-N 2 1 293.480 3.068 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001276472273 809010754 /nfs/dbraw/zinc/01/07/54/809010754.db2.gz LJHCGFMQHYUWRJ-BZSNNMDCSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001276472273 809010761 /nfs/dbraw/zinc/01/07/61/809010761.db2.gz LJHCGFMQHYUWRJ-BZSNNMDCSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001276472273 809010768 /nfs/dbraw/zinc/01/07/68/809010768.db2.gz LJHCGFMQHYUWRJ-BZSNNMDCSA-N 2 1 276.468 3.397 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CCC3CCCC3)CC2)C1 ZINC001276514059 809014093 /nfs/dbraw/zinc/01/40/93/809014093.db2.gz UVJMLROMIDKERQ-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)CCC[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001276530386 809015816 /nfs/dbraw/zinc/01/58/16/809015816.db2.gz SMTBXSDLOQSQHC-ZWKOTPCHSA-N 2 1 295.515 3.009 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cnc1C ZINC001276870917 809039486 /nfs/dbraw/zinc/03/94/86/809039486.db2.gz UHHQIQJINZTXRS-UHFFFAOYSA-N 2 1 287.451 3.006 20 0 CGADMP FC(F)(F)CCCN1CC[C@@]2(C1)CCC[N@H+](C1CC1)C2 ZINC001277921720 809105057 /nfs/dbraw/zinc/10/50/57/809105057.db2.gz FUBDIHTXWVLJRA-CQSZACIVSA-N 2 1 290.373 3.279 20 0 CGADMP FC(F)(F)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C1CC1)C2 ZINC001277921720 809105060 /nfs/dbraw/zinc/10/50/60/809105060.db2.gz FUBDIHTXWVLJRA-CQSZACIVSA-N 2 1 290.373 3.279 20 0 CGADMP FC(F)(F)CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C1CC1)C2 ZINC001277921720 809105063 /nfs/dbraw/zinc/10/50/63/809105063.db2.gz FUBDIHTXWVLJRA-CQSZACIVSA-N 2 1 290.373 3.279 20 0 CGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]3CC2)c1 ZINC001277930385 809106125 /nfs/dbraw/zinc/10/61/25/809106125.db2.gz HCGQTKPOHNZZBL-IYBDPMFKSA-N 2 1 287.451 3.101 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]3CC2)c1 ZINC001277930385 809106131 /nfs/dbraw/zinc/10/61/31/809106131.db2.gz HCGQTKPOHNZZBL-IYBDPMFKSA-N 2 1 287.451 3.101 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]3CC2)c1 ZINC001277930385 809106133 /nfs/dbraw/zinc/10/61/33/809106133.db2.gz HCGQTKPOHNZZBL-IYBDPMFKSA-N 2 1 287.451 3.101 20 0 CGADMP FCCCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001278205125 809119856 /nfs/dbraw/zinc/11/98/56/809119856.db2.gz AEEABAPBZNGKKG-UHFFFAOYSA-N 2 1 282.447 3.467 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070272 809259200 /nfs/dbraw/zinc/25/92/00/809259200.db2.gz POUNBWRTZWDSKJ-NXHRZFHOSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070272 809259204 /nfs/dbraw/zinc/25/92/04/809259204.db2.gz POUNBWRTZWDSKJ-NXHRZFHOSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070272 809259206 /nfs/dbraw/zinc/25/92/06/809259206.db2.gz POUNBWRTZWDSKJ-NXHRZFHOSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070272 809259209 /nfs/dbraw/zinc/25/92/09/809259209.db2.gz POUNBWRTZWDSKJ-NXHRZFHOSA-N 2 1 272.436 3.330 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC001177337912 809794864 /nfs/dbraw/zinc/79/48/64/809794864.db2.gz OFSNMIJOQBTJBV-HIFRSBDPSA-N 2 1 252.446 3.133 20 0 CGADMP CC1CCC(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC001177496932 809802337 /nfs/dbraw/zinc/80/23/37/809802337.db2.gz STZORATYJAWYPR-UHFFFAOYSA-N 2 1 261.413 3.064 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001177795048 809822763 /nfs/dbraw/zinc/82/27/63/809822763.db2.gz MNMJLIAUUXBQOD-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001177795048 809822767 /nfs/dbraw/zinc/82/27/67/809822767.db2.gz MNMJLIAUUXBQOD-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CC(C[NH2+]Cc2c[nH+]ccc2N(C)C)C[C@@H](C)C1 ZINC001179110934 809905816 /nfs/dbraw/zinc/90/58/16/809905816.db2.gz PVKYKNQFLLSOLZ-KBPBESRZSA-N 2 1 275.440 3.310 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4ccccc4s3)[C@H]2C1 ZINC001179817670 809948347 /nfs/dbraw/zinc/94/83/47/809948347.db2.gz RHWREYAXVVBKSA-CWRNSKLLSA-N 2 1 286.444 3.331 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(OC)CCCCCC2)C1 ZINC001179855674 809950593 /nfs/dbraw/zinc/95/05/93/809950593.db2.gz YYDXEBHSKXVFSF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(OC)CCCCCC2)C1 ZINC001179855674 809950596 /nfs/dbraw/zinc/95/05/96/809950596.db2.gz YYDXEBHSKXVFSF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2(OC)CCCCCC2)C1 ZINC001179855674 809950600 /nfs/dbraw/zinc/95/06/00/809950600.db2.gz YYDXEBHSKXVFSF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP COC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCCCCC1 ZINC001179918579 809958047 /nfs/dbraw/zinc/95/80/47/809958047.db2.gz CTYXDVFKXXYCJG-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP COC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCCCCC1 ZINC001179918579 809958050 /nfs/dbraw/zinc/95/80/50/809958050.db2.gz CTYXDVFKXXYCJG-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP COC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCCCCC1 ZINC001179918579 809958053 /nfs/dbraw/zinc/95/80/53/809958053.db2.gz CTYXDVFKXXYCJG-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001181446022 810052988 /nfs/dbraw/zinc/05/29/88/810052988.db2.gz VNHQLXDRJOAGAP-UHFFFAOYSA-N 2 1 274.452 3.467 20 0 CGADMP C[N@H+](C[C@@H]1CC2CCC1CC2)C[C@H]1CCC[NH+](C)C1 ZINC001191173862 810685786 /nfs/dbraw/zinc/68/57/86/810685786.db2.gz JQAHMGARJFMGHB-XGHPGWEVSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+](C[C@@H]1CC2CCC1CC2)C[C@H]1CCC[N@H+](C)C1 ZINC001191173862 810685787 /nfs/dbraw/zinc/68/57/87/810685787.db2.gz JQAHMGARJFMGHB-XGHPGWEVSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+](C[C@@H]1CC2CCC1CC2)C[C@H]1CCC[N@@H+](C)C1 ZINC001191173862 810685791 /nfs/dbraw/zinc/68/57/91/810685791.db2.gz JQAHMGARJFMGHB-XGHPGWEVSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[C@H](C)CCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC001192963379 810835782 /nfs/dbraw/zinc/83/57/82/810835782.db2.gz ABDZCPNNDWWMDC-KRWDZBQOSA-N 2 1 297.531 3.161 20 0 CGADMP CCCC[N@H+]1CCCN(Cc2ccccc2)CCOCC1 ZINC001198140710 811479937 /nfs/dbraw/zinc/47/99/37/811479937.db2.gz LQOKGDDULJAENH-UHFFFAOYSA-N 2 1 290.451 3.011 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001199336782 811572696 /nfs/dbraw/zinc/57/26/96/811572696.db2.gz WVALLDIZDLONFV-KZNAEPCWSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)CC1 ZINC001199708940 811589509 /nfs/dbraw/zinc/58/95/09/811589509.db2.gz MOXSMFBBOJXGTR-LVDPKSTMSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)CC1 ZINC001199708940 811589513 /nfs/dbraw/zinc/58/95/13/811589513.db2.gz MOXSMFBBOJXGTR-LVDPKSTMSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC001200256674 811656428 /nfs/dbraw/zinc/65/64/28/811656428.db2.gz VGGSMGSZDCPMJD-RCCFBDPRSA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC001200256674 811656429 /nfs/dbraw/zinc/65/64/29/811656429.db2.gz VGGSMGSZDCPMJD-RCCFBDPRSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001201549512 811897448 /nfs/dbraw/zinc/89/74/48/811897448.db2.gz BSWSKOVNBFALRC-OAHLLOKOSA-N 2 1 254.462 3.475 20 0 CGADMP CCCCCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201746383 811956220 /nfs/dbraw/zinc/95/62/20/811956220.db2.gz FZMLDLICQASWHR-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCCC[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201746383 811956227 /nfs/dbraw/zinc/95/62/27/811956227.db2.gz FZMLDLICQASWHR-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201746383 811956232 /nfs/dbraw/zinc/95/62/32/811956232.db2.gz FZMLDLICQASWHR-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCCC[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201746383 811956239 /nfs/dbraw/zinc/95/62/39/811956239.db2.gz FZMLDLICQASWHR-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201750119 811957183 /nfs/dbraw/zinc/95/71/83/811957183.db2.gz HORKAQUQXBPVBH-UHFFFAOYSA-N 2 1 292.471 3.119 20 0 CGADMP CCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201750119 811957187 /nfs/dbraw/zinc/95/71/87/811957187.db2.gz HORKAQUQXBPVBH-UHFFFAOYSA-N 2 1 292.471 3.119 20 0 CGADMP CCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201750119 811957191 /nfs/dbraw/zinc/95/71/91/811957191.db2.gz HORKAQUQXBPVBH-UHFFFAOYSA-N 2 1 292.471 3.119 20 0 CGADMP CCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001201750119 811957196 /nfs/dbraw/zinc/95/71/96/811957196.db2.gz HORKAQUQXBPVBH-UHFFFAOYSA-N 2 1 292.471 3.119 20 0 CGADMP C(C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C1CCOCC1 ZINC001202660535 812148024 /nfs/dbraw/zinc/14/80/24/812148024.db2.gz GTALIGSERWUJII-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP c1coc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203278403 812290046 /nfs/dbraw/zinc/29/00/46/812290046.db2.gz NSNJELOWRWWSRY-OAHLLOKOSA-N 2 1 262.397 3.120 20 0 CGADMP c1coc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203278403 812290052 /nfs/dbraw/zinc/29/00/52/812290052.db2.gz NSNJELOWRWWSRY-OAHLLOKOSA-N 2 1 262.397 3.120 20 0 CGADMP CC(C)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001204089876 812546618 /nfs/dbraw/zinc/54/66/18/812546618.db2.gz SEGCLEKQLDIHKC-RYQLBKOJSA-N 2 1 272.436 3.240 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001204103504 812549789 /nfs/dbraw/zinc/54/97/89/812549789.db2.gz JMWCGZOQPKDSLN-NSHDSACASA-N 2 1 288.357 3.314 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC001204399020 812629198 /nfs/dbraw/zinc/62/91/98/812629198.db2.gz OLTJJYYRCFIFSG-IEBWSBKVSA-N 2 1 286.463 3.368 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC001204399020 812629199 /nfs/dbraw/zinc/62/91/99/812629199.db2.gz OLTJJYYRCFIFSG-IEBWSBKVSA-N 2 1 286.463 3.368 20 0 CGADMP CCC[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)CC1CC1 ZINC001204598079 812685329 /nfs/dbraw/zinc/68/53/29/812685329.db2.gz GERQCADLRLKFGS-UHFFFAOYSA-N 2 1 297.446 3.367 20 0 CGADMP CCC[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@H](C)CC ZINC001204630150 812695116 /nfs/dbraw/zinc/69/51/16/812695116.db2.gz MKMYDXMQBNPJAW-CQSZACIVSA-N 2 1 260.425 3.343 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC001204660832 812703113 /nfs/dbraw/zinc/70/31/13/812703113.db2.gz NITQRELBEHPQKX-UHFFFAOYSA-N 2 1 285.435 3.261 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC001204660832 812703118 /nfs/dbraw/zinc/70/31/18/812703118.db2.gz NITQRELBEHPQKX-UHFFFAOYSA-N 2 1 285.435 3.261 20 0 CGADMP CC/C=C\CCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727553 812718969 /nfs/dbraw/zinc/71/89/69/812718969.db2.gz CTRYMHZILYBQCE-ARJAWSKDSA-N 2 1 250.430 3.198 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735159 812720015 /nfs/dbraw/zinc/72/00/15/812720015.db2.gz MJPNKGIVXLYXAY-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204734944 812720523 /nfs/dbraw/zinc/72/05/23/812720523.db2.gz GNDHVQGWXKYTEG-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)ccc21 ZINC001204734978 812720726 /nfs/dbraw/zinc/72/07/26/812720726.db2.gz IDOOPTPOXBIMBV-UHFFFAOYSA-N 2 1 297.446 3.144 20 0 CGADMP Cc1cccc(C[N@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001204848178 812753820 /nfs/dbraw/zinc/75/38/20/812753820.db2.gz LHRSYJWWLDYOJY-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001204925604 812778249 /nfs/dbraw/zinc/77/82/49/812778249.db2.gz XEGIGYMPUNPMCQ-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC001204925604 812778252 /nfs/dbraw/zinc/77/82/52/812778252.db2.gz XEGIGYMPUNPMCQ-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204939845 812788226 /nfs/dbraw/zinc/78/82/26/812788226.db2.gz UXFMGUPNMSTDNE-KRWDZBQOSA-N 2 1 260.425 3.166 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204939845 812788229 /nfs/dbraw/zinc/78/82/29/812788229.db2.gz UXFMGUPNMSTDNE-KRWDZBQOSA-N 2 1 260.425 3.166 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001205009254 812822175 /nfs/dbraw/zinc/82/21/75/812822175.db2.gz LEEGEVYQSPYCOS-GOSISDBHSA-N 2 1 274.452 3.331 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1-c1cccnc1 ZINC001205068167 812847662 /nfs/dbraw/zinc/84/76/62/812847662.db2.gz DTSRZJMOKOGKAI-YOEHRIQHSA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1-c1cccnc1 ZINC001205068167 812847669 /nfs/dbraw/zinc/84/76/69/812847669.db2.gz DTSRZJMOKOGKAI-YOEHRIQHSA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205083086 812854420 /nfs/dbraw/zinc/85/44/20/812854420.db2.gz OVJZCJQOASQLOL-GUYCJALGSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205083086 812854428 /nfs/dbraw/zinc/85/44/28/812854428.db2.gz OVJZCJQOASQLOL-GUYCJALGSA-N 2 1 258.409 3.266 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095584 812860716 /nfs/dbraw/zinc/86/07/16/812860716.db2.gz ZQTWIFDYWPMNNM-CVEARBPZSA-N 2 1 284.488 3.421 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001205101181 812864868 /nfs/dbraw/zinc/86/48/68/812864868.db2.gz AYNDKGIGNVHZBF-GFCCVEGCSA-N 2 1 277.799 3.135 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109328 812871733 /nfs/dbraw/zinc/87/17/33/812871733.db2.gz FPKBKOKOQMYSAQ-MRXNPFEDSA-N 2 1 260.425 3.297 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001205164940 812894978 /nfs/dbraw/zinc/89/49/78/812894978.db2.gz XGDPECACAMYVJC-ZBFHGGJFSA-N 2 1 258.409 3.138 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205263654 812920720 /nfs/dbraw/zinc/92/07/20/812920720.db2.gz BGGDTBOCTOFAQP-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205263654 812920722 /nfs/dbraw/zinc/92/07/22/812920722.db2.gz BGGDTBOCTOFAQP-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(C(F)F)c2)CC1 ZINC001205263938 812921555 /nfs/dbraw/zinc/92/15/55/812921555.db2.gz FXVKXVKMKVMFFF-HNNXBMFYSA-N 2 1 268.351 3.328 20 0 CGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205264299 812922515 /nfs/dbraw/zinc/92/25/15/812922515.db2.gz JJTNCJMJSNYJIZ-GOSISDBHSA-N 2 1 298.434 3.088 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2coc3ccccc23)CC1 ZINC001205274607 812926446 /nfs/dbraw/zinc/92/64/46/812926446.db2.gz YQUYTTDWCWYBGG-MRXNPFEDSA-N 2 1 258.365 3.136 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288003 812931971 /nfs/dbraw/zinc/93/19/71/812931971.db2.gz FOIYCNPLPKBWCB-KRWDZBQOSA-N 2 1 260.425 3.261 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205295857 812935797 /nfs/dbraw/zinc/93/57/97/812935797.db2.gz BTZVBMLWQFLVHW-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205295857 812935801 /nfs/dbraw/zinc/93/58/01/812935801.db2.gz BTZVBMLWQFLVHW-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC(C)C ZINC001205303267 812940774 /nfs/dbraw/zinc/94/07/74/812940774.db2.gz BSRZAILACGCITN-YOEHRIQHSA-N 2 1 290.451 3.199 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318524 812950961 /nfs/dbraw/zinc/95/09/61/812950961.db2.gz VQARPOORXVEDCA-ZYHUDNBSSA-N 2 1 284.806 3.204 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318524 812950965 /nfs/dbraw/zinc/95/09/65/812950965.db2.gz VQARPOORXVEDCA-ZYHUDNBSSA-N 2 1 284.806 3.204 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205325428 812955676 /nfs/dbraw/zinc/95/56/76/812955676.db2.gz MZHGQYGDPRQIJP-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205325428 812955681 /nfs/dbraw/zinc/95/56/81/812955681.db2.gz MZHGQYGDPRQIJP-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)CC[C@H]1C[NH3+] ZINC001205601963 813017059 /nfs/dbraw/zinc/01/70/59/813017059.db2.gz HEROAGWYNRFSMC-ZBFHGGJFSA-N 2 1 299.418 3.148 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)ccc2c1 ZINC001205617593 813029256 /nfs/dbraw/zinc/02/92/56/813029256.db2.gz LERVNSVSQNCISH-WBVHZDCISA-N 2 1 297.446 3.350 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205627385 813031536 /nfs/dbraw/zinc/03/15/36/813031536.db2.gz OWQFOMMHHVEUEI-AAEUAGOBSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cn2)CC[C@H]1C[NH3+] ZINC001205625608 813032801 /nfs/dbraw/zinc/03/28/01/813032801.db2.gz BUEPYGOESHUDHM-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205629158 813034614 /nfs/dbraw/zinc/03/46/14/813034614.db2.gz XVJUCVFUZQXBJU-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC[C@@H]1C[NH3+] ZINC001205639554 813039225 /nfs/dbraw/zinc/03/92/25/813039225.db2.gz ZXNTXBGYQYRBNW-GHMZBOCLSA-N 2 1 290.329 3.105 20 0 CGADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)cccc2n1 ZINC001205651447 813042363 /nfs/dbraw/zinc/04/23/63/813042363.db2.gz FGBKXHICLBDAPI-HOCLYGCPSA-N 2 1 297.446 3.350 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCC[C@@H]1C ZINC001205696276 813053824 /nfs/dbraw/zinc/05/38/24/813053824.db2.gz FZTUXJWKLKOAAY-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205780965 813075474 /nfs/dbraw/zinc/07/54/74/813075474.db2.gz ULMFHAGUPXOJPB-CQSZACIVSA-N 2 1 282.378 3.226 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205780965 813075482 /nfs/dbraw/zinc/07/54/82/813075482.db2.gz ULMFHAGUPXOJPB-CQSZACIVSA-N 2 1 282.378 3.226 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205806321 813087702 /nfs/dbraw/zinc/08/77/02/813087702.db2.gz TYOMJUKIEYIILO-OCCSQVGLSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205806321 813087710 /nfs/dbraw/zinc/08/77/10/813087710.db2.gz TYOMJUKIEYIILO-OCCSQVGLSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc3sccc32)C1 ZINC001205839726 813104594 /nfs/dbraw/zinc/10/45/94/813104594.db2.gz FYTAQRUQHNTYPQ-OCCSQVGLSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc3sccc32)C1 ZINC001205839726 813104597 /nfs/dbraw/zinc/10/45/97/813104597.db2.gz FYTAQRUQHNTYPQ-OCCSQVGLSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2ccc(Cl)cc12 ZINC001205903324 813125213 /nfs/dbraw/zinc/12/52/13/813125213.db2.gz OLZCHUBYXDYDPO-VXGBXAGGSA-N 2 1 291.826 3.381 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)C1(C)C ZINC001205903965 813126139 /nfs/dbraw/zinc/12/61/39/813126139.db2.gz SHSFXMKHINFBBT-BZUAXINKSA-N 2 1 264.457 3.428 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2cc(Cl)ccc2[nH]1 ZINC001205903690 813126911 /nfs/dbraw/zinc/12/69/11/813126911.db2.gz QSCWEGLNZYTBTR-RYUDHWBXSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205916222 813132281 /nfs/dbraw/zinc/13/22/81/813132281.db2.gz TVYRAOJRQHBKQM-JKSUJKDBSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923510 813135910 /nfs/dbraw/zinc/13/59/10/813135910.db2.gz OVDMKTWGRKTDHA-RYUDHWBXSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923510 813135913 /nfs/dbraw/zinc/13/59/13/813135913.db2.gz OVDMKTWGRKTDHA-RYUDHWBXSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)cccc2n1 ZINC001205925655 813136907 /nfs/dbraw/zinc/13/69/07/813136907.db2.gz XUIIMYWSVFKFKW-LSDHHAIUSA-N 2 1 283.419 3.102 20 0 CGADMP CN(C)c1ccc2cc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)ccc2c1 ZINC001205931814 813139428 /nfs/dbraw/zinc/13/94/28/813139428.db2.gz LPLXEWDEWOEBMT-GOSISDBHSA-N 2 1 297.446 3.219 20 0 CGADMP CN(C)c1ccc2cc(C[N@H+]3CCCC[C@@H]([NH3+])C3)ccc2c1 ZINC001205931814 813139432 /nfs/dbraw/zinc/13/94/32/813139432.db2.gz LPLXEWDEWOEBMT-GOSISDBHSA-N 2 1 297.446 3.219 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205982529 813151281 /nfs/dbraw/zinc/15/12/81/813151281.db2.gz MGRYUCJBQRVIKQ-CHWSQXEVSA-N 2 1 266.816 3.147 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC001205984646 813152894 /nfs/dbraw/zinc/15/28/94/813152894.db2.gz SXJWBZIDDNMAKY-HZPDHXFCSA-N 2 1 290.451 3.119 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001205995940 813157495 /nfs/dbraw/zinc/15/74/95/813157495.db2.gz SEXDVUFIQYCJPN-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1C[N@@H+](Cc2coc3ccc(F)cc23)CCC[C@H]1C[NH3+] ZINC001206003613 813160574 /nfs/dbraw/zinc/16/05/74/813160574.db2.gz KFGUACNXXWFXNR-STQMWFEESA-N 2 1 290.382 3.379 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)ccc2n1 ZINC001206004767 813160841 /nfs/dbraw/zinc/16/08/41/813160841.db2.gz UZCAGFDMUBUISN-KDOFPFPSSA-N 2 1 297.446 3.350 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206004054 813161119 /nfs/dbraw/zinc/16/11/19/813161119.db2.gz PJZVUJHKDPUISM-CVEARBPZSA-N 2 1 290.451 3.282 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC001206002835 813161601 /nfs/dbraw/zinc/16/16/01/813161601.db2.gz BROBXDPIJZGYDI-QWHCGFSZSA-N 2 1 281.469 3.073 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC001206004737 813161687 /nfs/dbraw/zinc/16/16/87/813161687.db2.gz UUANLTIVPRBIKG-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)ccc2n1 ZINC001206004769 813162287 /nfs/dbraw/zinc/16/22/87/813162287.db2.gz UZCAGFDMUBUISN-RDTXWAMCSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3cn2)CCC[C@H]1C[NH3+] ZINC001206005024 813162615 /nfs/dbraw/zinc/16/26/15/813162615.db2.gz WIRPEOGVSCMUBP-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001206013048 813164985 /nfs/dbraw/zinc/16/49/85/813164985.db2.gz OYVJLHPASSDEMM-IRXDYDNUSA-N 2 1 274.452 3.419 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206013537 813165182 /nfs/dbraw/zinc/16/51/82/813165182.db2.gz RZXOBAJPKQZXQZ-DGCLKSJQSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)CCC[C@@H]1C[NH3+] ZINC001206012064 813165375 /nfs/dbraw/zinc/16/53/75/813165375.db2.gz IPFFCLQVQKTFLX-WDEREUQCSA-N 2 1 272.845 3.208 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206014872 813166628 /nfs/dbraw/zinc/16/66/28/813166628.db2.gz YIIMVSJMLODLPV-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3occc32)CCC[C@H]1C[NH3+] ZINC001206025304 813170452 /nfs/dbraw/zinc/17/04/52/813170452.db2.gz NLQSZTHURYEALL-KBPBESRZSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3cccnc3s2)CCC[C@@H]1C[NH3+] ZINC001206026190 813170598 /nfs/dbraw/zinc/17/05/98/813170598.db2.gz QREFQTDHFDLAHX-TZMCWYRMSA-N 2 1 289.448 3.103 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1F ZINC001206026223 813170750 /nfs/dbraw/zinc/17/07/50/813170750.db2.gz QYGMMYJUKHZYPH-ZFWWWQNUSA-N 2 1 294.414 3.031 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206036545 813175906 /nfs/dbraw/zinc/17/59/06/813175906.db2.gz KTAIVPMMHBPWGZ-JKSUJKDBSA-N 2 1 290.451 3.119 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001206085244 813195872 /nfs/dbraw/zinc/19/58/72/813195872.db2.gz UJAIJFKYMGTLNB-MRXNPFEDSA-N 2 1 262.441 3.248 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001206085244 813195874 /nfs/dbraw/zinc/19/58/74/813195874.db2.gz UJAIJFKYMGTLNB-MRXNPFEDSA-N 2 1 262.441 3.248 20 0 CGADMP N[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153237 813214898 /nfs/dbraw/zinc/21/48/98/813214898.db2.gz CHRRMCQXNFYWJU-LSDHHAIUSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153237 813214903 /nfs/dbraw/zinc/21/49/03/813214903.db2.gz CHRRMCQXNFYWJU-LSDHHAIUSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153237 813214908 /nfs/dbraw/zinc/21/49/08/813214908.db2.gz CHRRMCQXNFYWJU-LSDHHAIUSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)CC[C@@H]1F ZINC001206154124 813216070 /nfs/dbraw/zinc/21/60/70/813216070.db2.gz GQORKTCZAXUKEI-WRECPOHLSA-N 2 1 294.458 3.354 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)CC[C@@H]1F ZINC001206154124 813216074 /nfs/dbraw/zinc/21/60/74/813216074.db2.gz GQORKTCZAXUKEI-WRECPOHLSA-N 2 1 294.458 3.354 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157402 813218608 /nfs/dbraw/zinc/21/86/08/813218608.db2.gz YICZDMUHSKXZBK-DLBZAZTESA-N 2 1 278.415 3.114 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157402 813218614 /nfs/dbraw/zinc/21/86/14/813218614.db2.gz YICZDMUHSKXZBK-DLBZAZTESA-N 2 1 278.415 3.114 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206174978 813225453 /nfs/dbraw/zinc/22/54/53/813225453.db2.gz QZUOOSJEYCCGNU-JKSUJKDBSA-N 2 1 278.415 3.245 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206185912 813231799 /nfs/dbraw/zinc/23/17/99/813231799.db2.gz PFIPQHVQBIXULC-ROUUACIJSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206185912 813231804 /nfs/dbraw/zinc/23/18/04/813231804.db2.gz PFIPQHVQBIXULC-ROUUACIJSA-N 2 1 286.394 3.409 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cncc(-c3ccccc3)c2)CC[C@H]1F ZINC001206187487 813232478 /nfs/dbraw/zinc/23/24/78/813232478.db2.gz TYCALKLWOGFTAL-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC[C@H]1F ZINC001206187487 813232482 /nfs/dbraw/zinc/23/24/82/813232482.db2.gz TYCALKLWOGFTAL-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP COc1cccc(CCC[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206296908 813276984 /nfs/dbraw/zinc/27/69/84/813276984.db2.gz VKEMPXUHPDZDRJ-SFHVURJKSA-N 2 1 290.451 3.079 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC001206297298 813277175 /nfs/dbraw/zinc/27/71/75/813277175.db2.gz XMNJFZOSDWLUJZ-CQSZACIVSA-N 2 1 274.399 3.263 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c[nH]c2c1 ZINC001206303753 813280101 /nfs/dbraw/zinc/28/01/01/813280101.db2.gz GJGVGYDIOWHKNU-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc21 ZINC001206304895 813281180 /nfs/dbraw/zinc/28/11/80/813281180.db2.gz QTFNWFSHYXLJDW-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc21 ZINC001206304894 813281528 /nfs/dbraw/zinc/28/15/28/813281528.db2.gz QTFNWFSHYXLJDW-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)s1 ZINC001206311568 813284977 /nfs/dbraw/zinc/28/49/77/813284977.db2.gz QRSPLWZEGDKCKM-CQSZACIVSA-N 2 1 284.494 3.421 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3occc32)CC1 ZINC001206326474 813290199 /nfs/dbraw/zinc/29/01/99/813290199.db2.gz OCGDOMWXOURJOV-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206343351 813295665 /nfs/dbraw/zinc/29/56/65/813295665.db2.gz FHJYGQXLRXKUDX-QGZVFWFLSA-N 2 1 278.415 3.463 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206343351 813295673 /nfs/dbraw/zinc/29/56/73/813295673.db2.gz FHJYGQXLRXKUDX-QGZVFWFLSA-N 2 1 278.415 3.463 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001206540122 813343035 /nfs/dbraw/zinc/34/30/35/813343035.db2.gz AGDZKFIMEWCMGQ-SFHVURJKSA-N 2 1 272.436 3.126 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@@](C)(C[NH3+])C1)OCc1ccccc1 ZINC001206541865 813343613 /nfs/dbraw/zinc/34/36/13/813343613.db2.gz MCGGPBJZAMXPBQ-WMZOPIPTSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206541749 813344681 /nfs/dbraw/zinc/34/46/81/813344681.db2.gz JKBJZHPGRYOAHE-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(C)c1 ZINC001206542089 813344780 /nfs/dbraw/zinc/34/47/80/813344780.db2.gz RASIOSGBTAEKAF-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP Cn1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c2ccccc21 ZINC001206542049 813345486 /nfs/dbraw/zinc/34/54/86/813345486.db2.gz PZMXTEPVZREGBL-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206549834 813348278 /nfs/dbraw/zinc/34/82/78/813348278.db2.gz QNSUKEQMIBQMDA-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC001206549373 813349096 /nfs/dbraw/zinc/34/90/96/813349096.db2.gz MCSDLFPFVJYILO-INIZCTEOSA-N 2 1 298.377 3.239 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC001206549373 813349104 /nfs/dbraw/zinc/34/91/04/813349104.db2.gz MCSDLFPFVJYILO-INIZCTEOSA-N 2 1 298.377 3.239 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)ccc2c1 ZINC001206549628 813349445 /nfs/dbraw/zinc/34/94/45/813349445.db2.gz PGUIJOGMSZWSBG-IBGZPJMESA-N 2 1 297.446 3.494 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001206563859 813355594 /nfs/dbraw/zinc/35/55/94/813355594.db2.gz IUZYICJCPBANPU-LJQANCHMSA-N 2 1 297.446 3.428 20 0 CGADMP CCOc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1F ZINC001206573893 813359550 /nfs/dbraw/zinc/35/95/50/813359550.db2.gz OSXFKSDOLRXUFG-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP CCOc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1F ZINC001206573893 813359556 /nfs/dbraw/zinc/35/95/56/813359556.db2.gz OSXFKSDOLRXUFG-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP COc1c(C)ccc(F)c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206580989 813361752 /nfs/dbraw/zinc/36/17/52/813361752.db2.gz GZRNQEOYMYLQJQ-KRWDZBQOSA-N 2 1 294.414 3.094 20 0 CGADMP COc1c(C)ccc(F)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206580989 813361757 /nfs/dbraw/zinc/36/17/57/813361757.db2.gz GZRNQEOYMYLQJQ-KRWDZBQOSA-N 2 1 294.414 3.094 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589526 813366060 /nfs/dbraw/zinc/36/60/60/813366060.db2.gz HTRNAZKCUPSGRL-KRWDZBQOSA-N 2 1 278.415 3.487 20 0 CGADMP COc1cc(F)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206591892 813366995 /nfs/dbraw/zinc/36/69/95/813366995.db2.gz XCOAHPNZFUPOAE-MRXNPFEDSA-N 2 1 294.414 3.187 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606341 813372919 /nfs/dbraw/zinc/37/29/19/813372919.db2.gz LJJARFOIODCCTJ-CVEARBPZSA-N 2 1 284.488 3.015 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2C(F)F)C1 ZINC001206622375 813377222 /nfs/dbraw/zinc/37/72/22/813377222.db2.gz AUPFCQBQPPLQCD-LBPRGKRZSA-N 2 1 268.351 3.185 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Cl ZINC001206624706 813378210 /nfs/dbraw/zinc/37/82/10/813378210.db2.gz YOLOUEYRWOQYJQ-CQSZACIVSA-N 2 1 296.842 3.300 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Cl ZINC001206624706 813378219 /nfs/dbraw/zinc/37/82/19/813378219.db2.gz YOLOUEYRWOQYJQ-CQSZACIVSA-N 2 1 296.842 3.300 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206767580 813430643 /nfs/dbraw/zinc/43/06/43/813430643.db2.gz BZNAJXNLRVRDLR-LSDHHAIUSA-N 2 1 260.425 3.369 20 0 CGADMP COc1ccc2oc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cc2c1 ZINC001206770953 813432073 /nfs/dbraw/zinc/43/20/73/813432073.db2.gz VFXKFYHZJBGJFZ-QWHCGFSZSA-N 2 1 288.391 3.001 20 0 CGADMP C/C=C\C[C@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001207000081 813463793 /nfs/dbraw/zinc/46/37/93/813463793.db2.gz UNCMBSUGOKPXRH-IMMZDGJCSA-N 2 1 264.457 3.397 20 0 CGADMP C/C=C/C[C@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001207000084 813464351 /nfs/dbraw/zinc/46/43/51/813464351.db2.gz UNCMBSUGOKPXRH-WMHVBEDNSA-N 2 1 264.457 3.397 20 0 CGADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)Cc2ccccc21 ZINC001207274948 813530883 /nfs/dbraw/zinc/53/08/83/813530883.db2.gz HSOAPLSKULHHGI-AWEZNQCLSA-N 2 1 260.425 3.194 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001207282016 813533882 /nfs/dbraw/zinc/53/38/82/813533882.db2.gz CCSMLOJQTJMBLX-HNNXBMFYSA-N 2 1 278.415 3.203 20 0 CGADMP F[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291502 813536115 /nfs/dbraw/zinc/53/61/15/813536115.db2.gz QDZJUXXQEPEORH-SFHVURJKSA-N 2 1 290.426 3.333 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCc3cccc(Cl)c3)C2)CC1 ZINC001207426400 813562126 /nfs/dbraw/zinc/56/21/26/813562126.db2.gz WFQNCCRPSMTUHK-UHFFFAOYSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001207484819 813572987 /nfs/dbraw/zinc/57/29/87/813572987.db2.gz NPDTVJDEBIKOHL-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207588338 813602403 /nfs/dbraw/zinc/60/24/03/813602403.db2.gz MOQIJMBSYZMTSQ-CVEARBPZSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207588338 813602406 /nfs/dbraw/zinc/60/24/06/813602406.db2.gz MOQIJMBSYZMTSQ-CVEARBPZSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207588338 813602413 /nfs/dbraw/zinc/60/24/13/813602413.db2.gz MOQIJMBSYZMTSQ-CVEARBPZSA-N 2 1 292.854 3.156 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207671446 813631363 /nfs/dbraw/zinc/63/13/63/813631363.db2.gz YYPUAHFHBMISIE-MRXNPFEDSA-N 2 1 298.515 3.227 20 0 CGADMP CCc1cccc2cc(CN3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)oc21 ZINC001207691610 813636362 /nfs/dbraw/zinc/63/63/62/813636362.db2.gz ORICFDRAVSZOPO-APWZRJJASA-N 2 1 298.430 3.379 20 0 CGADMP CCc1cccc2cc(C[N@@H+]3C[C@H]4CN(C)C[C@@]4(C)C3)oc21 ZINC001207691610 813636364 /nfs/dbraw/zinc/63/63/64/813636364.db2.gz ORICFDRAVSZOPO-APWZRJJASA-N 2 1 298.430 3.379 20 0 CGADMP CCc1cccc2cc(C[N@H+]3C[C@H]4CN(C)C[C@@]4(C)C3)oc21 ZINC001207691610 813636367 /nfs/dbraw/zinc/63/63/67/813636367.db2.gz ORICFDRAVSZOPO-APWZRJJASA-N 2 1 298.430 3.379 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)CC2(C)CC[NH+](C)CC2)CC1 ZINC001208116239 813696931 /nfs/dbraw/zinc/69/69/31/813696931.db2.gz SBPNKNRDAYDKSW-SHTZXODSSA-N 2 1 252.446 3.229 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001208133254 813701965 /nfs/dbraw/zinc/70/19/65/813701965.db2.gz AVEWVAYUAAPIEL-PLNGDYQASA-N 2 1 250.430 3.151 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208606074 813770612 /nfs/dbraw/zinc/77/06/12/813770612.db2.gz CLPSXFLJHQABRS-WBVHZDCISA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208606074 813770617 /nfs/dbraw/zinc/77/06/17/813770617.db2.gz CLPSXFLJHQABRS-WBVHZDCISA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208606074 813770621 /nfs/dbraw/zinc/77/06/21/813770621.db2.gz CLPSXFLJHQABRS-WBVHZDCISA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208606074 813770626 /nfs/dbraw/zinc/77/06/26/813770626.db2.gz CLPSXFLJHQABRS-WBVHZDCISA-N 2 1 288.435 3.174 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001208601968 813771298 /nfs/dbraw/zinc/77/12/98/813771298.db2.gz UXGMHCGVKNVUGK-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001208601968 813771300 /nfs/dbraw/zinc/77/13/00/813771300.db2.gz UXGMHCGVKNVUGK-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP CC[N@H+](Cc1ccccc1F)CC1CC[NH+](CC)CC1 ZINC001208601390 813771396 /nfs/dbraw/zinc/77/13/96/813771396.db2.gz NANYYTLMQONUTR-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001208612587 813774273 /nfs/dbraw/zinc/77/42/73/813774273.db2.gz CSNQGMSFBSNIIU-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001208612587 813774275 /nfs/dbraw/zinc/77/42/75/813774275.db2.gz CSNQGMSFBSNIIU-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001208612587 813774279 /nfs/dbraw/zinc/77/42/79/813774279.db2.gz CSNQGMSFBSNIIU-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001208612587 813774283 /nfs/dbraw/zinc/77/42/83/813774283.db2.gz CSNQGMSFBSNIIU-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001208615812 813777442 /nfs/dbraw/zinc/77/74/42/813777442.db2.gz ICRRZLQZAQIIHI-GOSISDBHSA-N 2 1 274.452 3.467 20 0 CGADMP CC[N@H+](Cc1ccc(C)c(C)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001208615812 813777446 /nfs/dbraw/zinc/77/74/46/813777446.db2.gz ICRRZLQZAQIIHI-GOSISDBHSA-N 2 1 274.452 3.467 20 0 CGADMP CC[NH+](Cc1ccc(C)c(C)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208615812 813777451 /nfs/dbraw/zinc/77/74/51/813777451.db2.gz ICRRZLQZAQIIHI-GOSISDBHSA-N 2 1 274.452 3.467 20 0 CGADMP CC[NH+](Cc1ccc(C)c(C)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208615812 813777454 /nfs/dbraw/zinc/77/74/54/813777454.db2.gz ICRRZLQZAQIIHI-GOSISDBHSA-N 2 1 274.452 3.467 20 0 CGADMP CC1(F)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947691 813909020 /nfs/dbraw/zinc/90/90/20/813909020.db2.gz LYQUTARFKBZLPP-QGZVFWFLSA-N 2 1 290.426 3.333 20 0 CGADMP C[N@H+](CCCN1CCCCC1)CCC(=O)c1ccccc1 ZINC001209449826 814048513 /nfs/dbraw/zinc/04/85/13/814048513.db2.gz AIPHSLWTLAGUGQ-UHFFFAOYSA-N 2 1 288.435 3.067 20 0 CGADMP C[N@@H+](CCCN1CCCCC1)CCC(=O)c1ccccc1 ZINC001209449826 814048516 /nfs/dbraw/zinc/04/85/16/814048516.db2.gz AIPHSLWTLAGUGQ-UHFFFAOYSA-N 2 1 288.435 3.067 20 0 CGADMP C[N@H+]1CC[C@H](c2ccc(-c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC001242678133 823097569 /nfs/dbraw/zinc/09/75/69/823097569.db2.gz YGOCDKSZLMHVJT-SFHVURJKSA-N 2 1 278.399 3.376 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC001209515245 814068972 /nfs/dbraw/zinc/06/89/72/814068972.db2.gz RCYHVUZOVNMFJB-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001209730689 814124785 /nfs/dbraw/zinc/12/47/85/814124785.db2.gz IHLZWLPUIWTOBB-LBPRGKRZSA-N 2 1 287.794 3.137 20 0 CGADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001209730689 814124787 /nfs/dbraw/zinc/12/47/87/814124787.db2.gz IHLZWLPUIWTOBB-LBPRGKRZSA-N 2 1 287.794 3.137 20 0 CGADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001209730787 814125383 /nfs/dbraw/zinc/12/53/83/814125383.db2.gz IVEILMVSIMXIMB-CYBMUJFWSA-N 2 1 287.794 3.137 20 0 CGADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001209730787 814125384 /nfs/dbraw/zinc/12/53/84/814125384.db2.gz IVEILMVSIMXIMB-CYBMUJFWSA-N 2 1 287.794 3.137 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC001210475838 814479671 /nfs/dbraw/zinc/47/96/71/814479671.db2.gz PZINGPDGSZXIRC-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC001210475838 814479674 /nfs/dbraw/zinc/47/96/74/814479674.db2.gz PZINGPDGSZXIRC-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2cccc3sccc32)CC[NH2+]1 ZINC001210496710 814489556 /nfs/dbraw/zinc/48/95/56/814489556.db2.gz IYWHFOHEOANFGC-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3sccc32)CC[NH2+]1 ZINC001210496710 814489558 /nfs/dbraw/zinc/48/95/58/814489558.db2.gz IYWHFOHEOANFGC-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP Nc1cccc2[nH+]cn(C3=CC[C@@H]([NH+]4CCCC4)CC3)c21 ZINC001210715177 814594309 /nfs/dbraw/zinc/59/43/09/814594309.db2.gz SIMSRKHVQNZIJS-CYBMUJFWSA-N 2 1 282.391 3.108 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222142221 816359638 /nfs/dbraw/zinc/35/96/38/816359638.db2.gz XYBIKRBFSPWCIJ-AEFFLSMTSA-N 2 1 296.499 3.029 20 0 CGADMP CS[C@H](C)CC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153989 816361700 /nfs/dbraw/zinc/36/17/00/816361700.db2.gz FBIPSUALQSVJSU-HZPDHXFCSA-N 2 1 284.513 3.374 20 0 CGADMP COC(C)(C)CC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161091 816365421 /nfs/dbraw/zinc/36/54/21/816365421.db2.gz LAVBVVNGOISLRK-QGZVFWFLSA-N 2 1 282.472 3.047 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222230846 816379879 /nfs/dbraw/zinc/37/98/79/816379879.db2.gz FEVBOAXXUXBAFP-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222249262 816386209 /nfs/dbraw/zinc/38/62/09/816386209.db2.gz RMDJINXMPAECPX-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222249262 816386215 /nfs/dbraw/zinc/38/62/15/816386215.db2.gz RMDJINXMPAECPX-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222254331 816387836 /nfs/dbraw/zinc/38/78/36/816387836.db2.gz XNAJDKQJRLIKCZ-SFHVURJKSA-N 2 1 272.436 3.275 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222259462 816389923 /nfs/dbraw/zinc/38/99/23/816389923.db2.gz QLIKHASLEPIPKR-KRWDZBQOSA-N 2 1 264.457 3.422 20 0 CGADMP Clc1ccc(CC[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222288379 816396810 /nfs/dbraw/zinc/39/68/10/816396810.db2.gz YBDFFSRWAFKYEE-UHFFFAOYSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307712 816403460 /nfs/dbraw/zinc/40/34/60/816403460.db2.gz AEFBQGXMTHNCJU-QGZVFWFLSA-N 2 1 258.409 3.103 20 0 CGADMP C(C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1)C1CCCC1 ZINC001222385164 816425774 /nfs/dbraw/zinc/42/57/74/816425774.db2.gz GXHWPYGKUHBCTF-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385602 816426479 /nfs/dbraw/zinc/42/64/79/816426479.db2.gz RHNKBPNKECGWCV-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385602 816426482 /nfs/dbraw/zinc/42/64/82/816426482.db2.gz RHNKBPNKECGWCV-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001222400938 816434267 /nfs/dbraw/zinc/43/42/67/816434267.db2.gz ODVHZXLECWHIAS-KGLIPLIRSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCCC2(CCCC2)C1 ZINC001222400938 816434272 /nfs/dbraw/zinc/43/42/72/816434272.db2.gz ODVHZXLECWHIAS-KGLIPLIRSA-N 2 1 286.410 3.133 20 0 CGADMP CCc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)o1 ZINC001222596151 816474438 /nfs/dbraw/zinc/47/44/38/816474438.db2.gz QTJCPQOMDVMFGC-SFHVURJKSA-N 2 1 296.414 3.031 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)o1 ZINC001222596151 816474445 /nfs/dbraw/zinc/47/44/45/816474445.db2.gz QTJCPQOMDVMFGC-SFHVURJKSA-N 2 1 296.414 3.031 20 0 CGADMP C[NH2+]Cc1cccc(-c2ccc3c(c2)CC[N@H+](C)C3)c1 ZINC001242995885 823203825 /nfs/dbraw/zinc/20/38/25/823203825.db2.gz NRNSJCXFLOLSDT-UHFFFAOYSA-N 2 1 266.388 3.061 20 0 CGADMP C[NH+](C)Cc1c(O[C@H]2CCC[N@@H+](C)C2)ccc2ccccc21 ZINC001228440646 817906247 /nfs/dbraw/zinc/90/62/47/817906247.db2.gz GOEZGXRGAISZRT-INIZCTEOSA-N 2 1 298.430 3.374 20 0 CGADMP CSc1cc(C)cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c1 ZINC001228554800 817936508 /nfs/dbraw/zinc/93/65/08/817936508.db2.gz AAVPPOGNBOEIBW-UHFFFAOYSA-N 2 1 290.476 3.435 20 0 CGADMP CN(C)c1ccc2cc(C[N@@H+](C)CCC[NH+](C)C)ccc2c1 ZINC001231437063 818099394 /nfs/dbraw/zinc/09/93/94/818099394.db2.gz PPUQIBCSSRTYOL-UHFFFAOYSA-N 2 1 299.462 3.289 20 0 CGADMP FC(F)(F)[C@@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015038 818233631 /nfs/dbraw/zinc/23/36/31/818233631.db2.gz QVQXYQGKHBTCJL-LLVKDONJSA-N 2 1 283.297 3.337 20 0 CGADMP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015038 818233637 /nfs/dbraw/zinc/23/36/37/818233637.db2.gz QVQXYQGKHBTCJL-LLVKDONJSA-N 2 1 283.297 3.337 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001232015389 818236008 /nfs/dbraw/zinc/23/60/08/818236008.db2.gz GEIVTMZIZDJDQK-WBMJQRKESA-N 2 1 255.365 3.327 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](F)CC2)c1 ZINC001232145258 818264508 /nfs/dbraw/zinc/26/45/08/818264508.db2.gz ZRNQHNDYEUIUPC-OAHLLOKOSA-N 2 1 282.378 3.211 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(SC)cc1C ZINC001232351910 818325289 /nfs/dbraw/zinc/32/52/89/818325289.db2.gz ROBNJCQFVKUYCV-UHFFFAOYSA-N 2 1 295.496 3.276 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(SC)cc1C ZINC001232351910 818325295 /nfs/dbraw/zinc/32/52/95/818325295.db2.gz ROBNJCQFVKUYCV-UHFFFAOYSA-N 2 1 295.496 3.276 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3ncsc3c2)CC1 ZINC001232741819 818430476 /nfs/dbraw/zinc/43/04/76/818430476.db2.gz PSHXUSLQFIHCJD-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3ncsc3c2)CC1 ZINC001232741819 818430479 /nfs/dbraw/zinc/43/04/79/818430479.db2.gz PSHXUSLQFIHCJD-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP C[N@H+](Cc1ccc(C2CC2)cc1)C1CC[NH+](C)CC1 ZINC001232984634 818492350 /nfs/dbraw/zinc/49/23/50/818492350.db2.gz SITJSZQLBNWLRJ-UHFFFAOYSA-N 2 1 258.409 3.090 20 0 CGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)C1CC[NH+](C)CC1 ZINC001232984634 818492354 /nfs/dbraw/zinc/49/23/54/818492354.db2.gz SITJSZQLBNWLRJ-UHFFFAOYSA-N 2 1 258.409 3.090 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001234991990 818969527 /nfs/dbraw/zinc/96/95/27/818969527.db2.gz ICMGSSYYHVHHBZ-ULQDDVLXSA-N 2 1 262.441 3.054 20 0 CGADMP C[C@H](CC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1)CC(C)(C)C ZINC001235004589 818977175 /nfs/dbraw/zinc/97/71/75/818977175.db2.gz BPIOWEWCNOOTAU-SJLPKXTDSA-N 2 1 296.499 3.151 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031815 818984284 /nfs/dbraw/zinc/98/42/84/818984284.db2.gz OSDUZXYTMDFNPW-WMZOPIPTSA-N 2 1 296.499 3.293 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235033122 818985196 /nfs/dbraw/zinc/98/51/96/818985196.db2.gz UALVGXXFYBEJRH-SFHVURJKSA-N 2 1 272.436 3.085 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235039742 818987774 /nfs/dbraw/zinc/98/77/74/818987774.db2.gz HXMLWPFDDGWPOR-QGZVFWFLSA-N 2 1 258.409 3.103 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(C)s1 ZINC001235047255 818991908 /nfs/dbraw/zinc/99/19/08/818991908.db2.gz UMBNKLCUDKIYBS-INIZCTEOSA-N 2 1 278.465 3.473 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)c1 ZINC001235047936 818992243 /nfs/dbraw/zinc/99/22/43/818992243.db2.gz XSIZEMNIPSUESJ-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)c1 ZINC001235047936 818992247 /nfs/dbraw/zinc/99/22/47/818992247.db2.gz XSIZEMNIPSUESJ-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001235063443 818993486 /nfs/dbraw/zinc/99/34/86/818993486.db2.gz FHKYSYXSFLBWPP-BEFAXECRSA-N 2 1 280.415 3.381 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001235063443 818993491 /nfs/dbraw/zinc/99/34/91/818993491.db2.gz FHKYSYXSFLBWPP-BEFAXECRSA-N 2 1 280.415 3.381 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235103719 819002443 /nfs/dbraw/zinc/00/24/43/819002443.db2.gz WNWQXQGXMKUPEC-UHFFFAOYSA-N 2 1 272.436 3.180 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c2ccccc12 ZINC001235111581 819006743 /nfs/dbraw/zinc/00/67/43/819006743.db2.gz RFBOHFZWISUXCI-LJQANCHMSA-N 2 1 280.415 3.476 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c2ccccc12 ZINC001235111581 819006749 /nfs/dbraw/zinc/00/67/49/819006749.db2.gz RFBOHFZWISUXCI-LJQANCHMSA-N 2 1 280.415 3.476 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156428 819017843 /nfs/dbraw/zinc/01/78/43/819017843.db2.gz PWJZBMWYRHIJNF-HNNXBMFYSA-N 2 1 278.465 3.411 20 0 CGADMP COc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235156768 819019789 /nfs/dbraw/zinc/01/97/89/819019789.db2.gz ROVDWRLRDAXLKI-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CCCC2)CC1 ZINC001235157939 819020215 /nfs/dbraw/zinc/02/02/15/819020215.db2.gz SOGBPTMQEUZZID-KBPBESRZSA-N 2 1 286.410 3.133 20 0 CGADMP C(C[N@H+]1CCCC[C@]12CCC[NH2+]C2)C1CCCC1 ZINC001235175512 819024748 /nfs/dbraw/zinc/02/47/48/819024748.db2.gz WVYNNUQJPDCZNX-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP c1cc2c(c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c1)CCC2 ZINC001235177965 819026378 /nfs/dbraw/zinc/02/63/78/819026378.db2.gz SWMNNGVUZNBGIP-LJQANCHMSA-N 2 1 284.447 3.283 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c1)CCC2 ZINC001235177965 819026383 /nfs/dbraw/zinc/02/63/83/819026383.db2.gz SWMNNGVUZNBGIP-LJQANCHMSA-N 2 1 284.447 3.283 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235187216 819027573 /nfs/dbraw/zinc/02/75/73/819027573.db2.gz TZMKTYJLACZTFE-BBWFWOEESA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1)c1cccc2ccccc21 ZINC001235188263 819027608 /nfs/dbraw/zinc/02/76/08/819027608.db2.gz NQVDUGLGICGAHH-URLQWDBASA-N 2 1 280.415 3.237 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1)c1cccc2ccccc21 ZINC001235188263 819027613 /nfs/dbraw/zinc/02/76/13/819027613.db2.gz NQVDUGLGICGAHH-URLQWDBASA-N 2 1 280.415 3.237 20 0 CGADMP CC/C=C\CCC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191664 819032549 /nfs/dbraw/zinc/03/25/49/819032549.db2.gz UXYWFTPENHRLON-ARJAWSKDSA-N 2 1 250.430 3.341 20 0 CGADMP CC/C=C\CCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191664 819032552 /nfs/dbraw/zinc/03/25/52/819032552.db2.gz UXYWFTPENHRLON-ARJAWSKDSA-N 2 1 250.430 3.341 20 0 CGADMP CCCCCCOc1ccccc1C[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235211715 819037166 /nfs/dbraw/zinc/03/71/66/819037166.db2.gz ZWWYELIBRPZGHZ-VQFNDLOPSA-N 2 1 288.435 3.035 20 0 CGADMP CCCCCCOc1ccccc1C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235211715 819037168 /nfs/dbraw/zinc/03/71/68/819037168.db2.gz ZWWYELIBRPZGHZ-VQFNDLOPSA-N 2 1 288.435 3.035 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235239301 819044189 /nfs/dbraw/zinc/04/41/89/819044189.db2.gz GVRXTJUHXZYUEJ-ARFHVFGLSA-N 2 1 250.430 3.182 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235244789 819046373 /nfs/dbraw/zinc/04/63/73/819046373.db2.gz KPPNTLUHQGQZQK-QZTJIDSGSA-N 2 1 272.436 3.342 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235244789 819046377 /nfs/dbraw/zinc/04/63/77/819046377.db2.gz KPPNTLUHQGQZQK-QZTJIDSGSA-N 2 1 272.436 3.342 20 0 CGADMP Clc1ccc(CCC[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001235262379 819055321 /nfs/dbraw/zinc/05/53/21/819055321.db2.gz QTTQTHMNHVJYCC-IUODEOHRSA-N 2 1 299.245 3.220 20 0 CGADMP Clc1ccc(CCC[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001235262379 819055324 /nfs/dbraw/zinc/05/53/24/819055324.db2.gz QTTQTHMNHVJYCC-IUODEOHRSA-N 2 1 299.245 3.220 20 0 CGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235271844 819059861 /nfs/dbraw/zinc/05/98/61/819059861.db2.gz PEXMVAAZNKEODX-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235271844 819059867 /nfs/dbraw/zinc/05/98/67/819059867.db2.gz PEXMVAAZNKEODX-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001235342524 819072478 /nfs/dbraw/zinc/07/24/78/819072478.db2.gz WPJVVXGVTANXNY-LLVKDONJSA-N 2 1 299.245 3.343 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)cc2)o1 ZINC001235341640 819072554 /nfs/dbraw/zinc/07/25/54/819072554.db2.gz SDTWDRMBYRPRLY-KRWDZBQOSA-N 2 1 296.414 3.296 20 0 CGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235401427 819085779 /nfs/dbraw/zinc/08/57/79/819085779.db2.gz GOKYVKNJUVVXFY-ZWKOTPCHSA-N 2 1 288.410 3.088 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1 ZINC001235406817 819087334 /nfs/dbraw/zinc/08/73/34/819087334.db2.gz RBEQMXHNWXKJSS-MSOLQXFVSA-N 2 1 290.426 3.135 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC001235426191 819093176 /nfs/dbraw/zinc/09/31/76/819093176.db2.gz NVHMBGYZHDXHAL-HOTGVXAUSA-N 2 1 276.424 3.108 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424761 819093375 /nfs/dbraw/zinc/09/33/75/819093375.db2.gz JOEHOEIPHCCZHH-IRXDYDNUSA-N 2 1 264.457 3.278 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)CCC2 ZINC001235430117 819094133 /nfs/dbraw/zinc/09/41/33/819094133.db2.gz FBOFZZSTBIOIDF-MSOLQXFVSA-N 2 1 298.474 3.387 20 0 CGADMP COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1C(C)C ZINC001235433820 819095720 /nfs/dbraw/zinc/09/57/20/819095720.db2.gz RQVIEXXDTRUEGK-UHFFFAOYSA-N 2 1 290.451 3.250 20 0 CGADMP CC1=CC[C@@H](CC[N@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC001235433629 819096224 /nfs/dbraw/zinc/09/62/24/819096224.db2.gz MPGJKWFZUQACKP-INIZCTEOSA-N 2 1 264.457 3.300 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1ccc(Cl)cc1OC(F)(F)F ZINC001235435130 819098185 /nfs/dbraw/zinc/09/81/85/819098185.db2.gz ATUGMZBNASRZTK-UHFFFAOYSA-N 2 1 296.720 3.019 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)cc1OC(F)(F)F ZINC001235435130 819098190 /nfs/dbraw/zinc/09/81/90/819098190.db2.gz ATUGMZBNASRZTK-UHFFFAOYSA-N 2 1 296.720 3.019 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH3+])ccc1OCc1ccccc1 ZINC001235435223 819098410 /nfs/dbraw/zinc/09/84/10/819098410.db2.gz CTZXGCUBUUAGST-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP COc1ccc(-c2ccc(C[N@@H+](C)CCC[NH3+])s2)cc1 ZINC001235435542 819098471 /nfs/dbraw/zinc/09/84/71/819098471.db2.gz OHCBIEYNCQMODS-UHFFFAOYSA-N 2 1 290.432 3.204 20 0 CGADMP C[N@@H+](CCc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC001235472213 819108253 /nfs/dbraw/zinc/10/82/53/819108253.db2.gz HXIBGQRYPQLLQT-UHFFFAOYSA-N 2 1 287.234 3.220 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@H](C[NH3+])C2)C1(C)C ZINC001235673580 819133567 /nfs/dbraw/zinc/13/35/67/819133567.db2.gz OVNGKRSZORJFKC-HUUCEWRRSA-N 2 1 250.430 3.040 20 0 CGADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](CCCC[NH3+])C2)c1 ZINC001235676087 819136662 /nfs/dbraw/zinc/13/66/62/819136662.db2.gz VICXZHKHKLEMOC-CQSZACIVSA-N 2 1 296.842 3.231 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001235679861 819139627 /nfs/dbraw/zinc/13/96/27/819139627.db2.gz OKTRJSCHIVVBKX-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001235679861 819139630 /nfs/dbraw/zinc/13/96/30/819139630.db2.gz OKTRJSCHIVVBKX-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717643 819152065 /nfs/dbraw/zinc/15/20/65/819152065.db2.gz XDAXVGWWKTWZPC-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC001235934249 819230851 /nfs/dbraw/zinc/23/08/51/819230851.db2.gz KTFBMOLYMVPBNF-QGZVFWFLSA-N 2 1 296.389 3.418 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235937605 819232013 /nfs/dbraw/zinc/23/20/13/819232013.db2.gz JERWBVHWMKPFHB-IRXDYDNUSA-N 2 1 280.415 3.190 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC001235949379 819239612 /nfs/dbraw/zinc/23/96/12/819239612.db2.gz HOPZEOMMZXGAHX-QGZVFWFLSA-N 2 1 284.378 3.274 20 0 CGADMP c1c(C[N@H+]2CC[C@@H]2c2ccccc2)sc2c1C[NH2+]CC2 ZINC001235949867 819240124 /nfs/dbraw/zinc/24/01/24/819240124.db2.gz VTDQSXVUWYSLNM-MRXNPFEDSA-N 2 1 284.428 3.341 20 0 CGADMP C[N@H+](Cc1ccc(F)c(C2CC2)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956741 819244065 /nfs/dbraw/zinc/24/40/65/819244065.db2.gz HAOFRWVWGMUZMG-AWEZNQCLSA-N 2 1 276.399 3.135 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001235957288 819245386 /nfs/dbraw/zinc/24/53/86/819245386.db2.gz MDDHXWJVGQASHR-AWEZNQCLSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1F ZINC001235959906 819248076 /nfs/dbraw/zinc/24/80/76/819248076.db2.gz DUHIOLQEPWZRSD-UHFFFAOYSA-N 2 1 284.378 3.451 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC001235961669 819249330 /nfs/dbraw/zinc/24/93/30/819249330.db2.gz DGQPGXLCAPYFHY-INIZCTEOSA-N 2 1 264.388 3.180 20 0 CGADMP CCCCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235974529 819254649 /nfs/dbraw/zinc/25/46/49/819254649.db2.gz SSPXQFUIDLFVNO-UHFFFAOYSA-N 2 1 272.436 3.314 20 0 CGADMP CC[C@H](C)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973753 819255420 /nfs/dbraw/zinc/25/54/20/819255420.db2.gz MOJDSQATCLJCJK-HNNXBMFYSA-N 2 1 272.436 3.170 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235976647 819257259 /nfs/dbraw/zinc/25/72/59/819257259.db2.gz BHDZWMMIEPDZIK-JGPFYOFESA-N 2 1 250.430 3.326 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989717 819262793 /nfs/dbraw/zinc/26/27/93/819262793.db2.gz JOTNJSOTRHKKHT-QFBILLFUSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989717 819262800 /nfs/dbraw/zinc/26/28/00/819262800.db2.gz JOTNJSOTRHKKHT-QFBILLFUSA-N 2 1 296.389 3.416 20 0 CGADMP CC[N@H+](Cc1ccccc1-c1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236010930 819273697 /nfs/dbraw/zinc/27/36/97/819273697.db2.gz ULZKQVZSVCUBGG-GOSISDBHSA-N 2 1 295.430 3.323 20 0 CGADMP CC[N@@H+](Cc1ccccc1-c1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236010930 819273701 /nfs/dbraw/zinc/27/37/01/819273701.db2.gz ULZKQVZSVCUBGG-GOSISDBHSA-N 2 1 295.430 3.323 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001236045056 819282136 /nfs/dbraw/zinc/28/21/36/819282136.db2.gz RVUGKJUXEXYZKO-XTBFLFJDSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001236045056 819282143 /nfs/dbraw/zinc/28/21/43/819282143.db2.gz RVUGKJUXEXYZKO-XTBFLFJDSA-N 2 1 278.827 3.113 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236061488 819293372 /nfs/dbraw/zinc/29/33/72/819293372.db2.gz YNFLFMGRCKACFM-DOTOQJQBSA-N 2 1 288.435 3.110 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236061488 819293377 /nfs/dbraw/zinc/29/33/77/819293377.db2.gz YNFLFMGRCKACFM-DOTOQJQBSA-N 2 1 288.435 3.110 20 0 CGADMP c1ccc(CCCCC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236060311 819293906 /nfs/dbraw/zinc/29/39/06/819293906.db2.gz NVTOATBQDXTUES-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(CCCCC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236060311 819293915 /nfs/dbraw/zinc/29/39/15/819293915.db2.gz NVTOATBQDXTUES-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)Cc2ccccc21 ZINC001236085892 819308100 /nfs/dbraw/zinc/30/81/00/819308100.db2.gz ZOJPRIWMYXIPDV-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001236092727 819310906 /nfs/dbraw/zinc/31/09/06/819310906.db2.gz OYAWLUYTKRUNQP-INIZCTEOSA-N 2 1 282.431 3.488 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001236092727 819310913 /nfs/dbraw/zinc/31/09/13/819310913.db2.gz OYAWLUYTKRUNQP-INIZCTEOSA-N 2 1 282.431 3.488 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001236093311 819312948 /nfs/dbraw/zinc/31/29/48/819312948.db2.gz DWHZUMLXEFGNSF-RKVPGOIHSA-N 2 1 274.452 3.268 20 0 CGADMP C[N@@H+](CCCC[NH3+])CCC12CC3CC(CC(C3)C1)C2 ZINC001236141770 819342461 /nfs/dbraw/zinc/34/24/61/819342461.db2.gz MCDCFONLJIVAKW-UHFFFAOYSA-N 2 1 264.457 3.264 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1cccc(SC(F)(F)F)c1 ZINC001236141449 819342942 /nfs/dbraw/zinc/34/29/42/819342942.db2.gz GOLRGVMCOLLVNN-UHFFFAOYSA-N 2 1 292.370 3.469 20 0 CGADMP CC[N@H+](CC[NH2+]C)CC[C@@H](C)CCCC(C)(C)OC ZINC001236143420 819344126 /nfs/dbraw/zinc/34/41/26/819344126.db2.gz JZDOPNUZPXPGGK-HNNXBMFYSA-N 2 1 272.477 3.149 20 0 CGADMP CC[N@@H+](CC[NH2+]C)CC[C@@H](C)CCCC(C)(C)OC ZINC001236143420 819344130 /nfs/dbraw/zinc/34/41/30/819344130.db2.gz JZDOPNUZPXPGGK-HNNXBMFYSA-N 2 1 272.477 3.149 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCC(C)=C[C@H]1C)C1CC[NH2+]CC1 ZINC001236180208 819357871 /nfs/dbraw/zinc/35/78/71/819357871.db2.gz CPBKUUXMRHJQMX-CVEARBPZSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c[nH]c2c1 ZINC001236210487 819372662 /nfs/dbraw/zinc/37/26/62/819372662.db2.gz CWSVIIAKVIBUGP-DOTOQJQBSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c[nH]c2c1 ZINC001236210487 819372668 /nfs/dbraw/zinc/37/26/68/819372668.db2.gz CWSVIIAKVIBUGP-DOTOQJQBSA-N 2 1 271.408 3.178 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)c(C)c1 ZINC001236212082 819373362 /nfs/dbraw/zinc/37/33/62/819373362.db2.gz CHLQSXMRFDHOQT-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CC(C)c1ccc(CC[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236223390 819389216 /nfs/dbraw/zinc/38/92/16/819389216.db2.gz NJDYJWCGLJPWSH-UHFFFAOYSA-N 2 1 274.452 3.426 20 0 CGADMP CC(C)c1cccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236225755 819390440 /nfs/dbraw/zinc/39/04/40/819390440.db2.gz FKYALNLMBCTXDX-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236224886 819390930 /nfs/dbraw/zinc/39/09/30/819390930.db2.gz YBCJJONRIKSEBN-VGWMRTNUSA-N 2 1 250.430 3.181 20 0 CGADMP COCC[N@H+](CC[C@@H](C)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236329739 819428074 /nfs/dbraw/zinc/42/80/74/819428074.db2.gz STQBJSAWTZFNCM-HZPDHXFCSA-N 2 1 284.488 3.149 20 0 CGADMP COCC[N@@H+](CC[C@@H](C)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236329739 819428077 /nfs/dbraw/zinc/42/80/77/819428077.db2.gz STQBJSAWTZFNCM-HZPDHXFCSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@H]1C[C@@H]1C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367269 819436821 /nfs/dbraw/zinc/43/68/21/819436821.db2.gz LZEVLTTVCDZZFJ-DZGCQCFKSA-N 2 1 276.399 3.036 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367269 819436825 /nfs/dbraw/zinc/43/68/25/819436825.db2.gz LZEVLTTVCDZZFJ-DZGCQCFKSA-N 2 1 276.399 3.036 20 0 CGADMP CC(C)(C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236370390 819439009 /nfs/dbraw/zinc/43/90/09/819439009.db2.gz FEAIZIBPBBAVRF-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236379643 819442317 /nfs/dbraw/zinc/44/23/17/819442317.db2.gz DOAWPOVMKPRVGE-WMLDXEAASA-N 2 1 290.426 3.283 20 0 CGADMP Nc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236376085 819442682 /nfs/dbraw/zinc/44/26/82/819442682.db2.gz OYYKHALNUNWAMU-MRXNPFEDSA-N 2 1 287.451 3.013 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)CC1(c2ccccc2)CCCC1 ZINC001236409214 819455934 /nfs/dbraw/zinc/45/59/34/819455934.db2.gz ZBROZQPPMHVHTO-KRWDZBQOSA-N 2 1 286.463 3.430 20 0 CGADMP CC[N@@H+](Cc1cc(C)cc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236411735 819458775 /nfs/dbraw/zinc/45/87/75/819458775.db2.gz OVWLHUXWKPFBGS-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP CC[N@H+](Cc1cc(C)cc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236411735 819458776 /nfs/dbraw/zinc/45/87/76/819458776.db2.gz OVWLHUXWKPFBGS-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP C[N@@H+](Cc1ccccc1-c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411819 819459139 /nfs/dbraw/zinc/45/91/39/819459139.db2.gz HAWKDTBIQYPYCZ-BWTSREIZSA-N 2 1 278.399 3.003 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236414041 819459834 /nfs/dbraw/zinc/45/98/34/819459834.db2.gz QFOUAYFEPVSHFX-FVQHAEBGSA-N 2 1 272.436 3.024 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236414041 819459836 /nfs/dbraw/zinc/45/98/36/819459836.db2.gz QFOUAYFEPVSHFX-FVQHAEBGSA-N 2 1 272.436 3.024 20 0 CGADMP CCC(=O)C(C)(C)C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457792 819486822 /nfs/dbraw/zinc/48/68/22/819486822.db2.gz OEVOCALBDQRYOU-UHFFFAOYSA-N 2 1 282.472 3.092 20 0 CGADMP CC(C)[N@H+](Cc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470843 819491249 /nfs/dbraw/zinc/49/12/49/819491249.db2.gz QTPCMBUURVZRIZ-QGZVFWFLSA-N 2 1 298.434 3.039 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470843 819491251 /nfs/dbraw/zinc/49/12/51/819491251.db2.gz QTPCMBUURVZRIZ-QGZVFWFLSA-N 2 1 298.434 3.039 20 0 CGADMP Cc1cc(F)cc(C[N@H+](CC(C)C)C2CC[NH2+]CC2)c1 ZINC001236481313 819496548 /nfs/dbraw/zinc/49/65/48/819496548.db2.gz PXINSCZAWAMEKN-UHFFFAOYSA-N 2 1 278.415 3.344 20 0 CGADMP CC(C)C[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552905 819535165 /nfs/dbraw/zinc/53/51/65/819535165.db2.gz VABDHGUDGDAYTK-WKILWMFISA-N 2 1 252.446 3.405 20 0 CGADMP c1cc2cccc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c2o1 ZINC001236601915 819550585 /nfs/dbraw/zinc/55/05/85/819550585.db2.gz QCZWSZZTCOGNHL-AWEZNQCLSA-N 2 1 284.403 3.397 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@](C)(C[NH3+])C2)C1(C)C ZINC001236605863 819551173 /nfs/dbraw/zinc/55/11/73/819551173.db2.gz WBPDUBKWKGEKMY-ZBFHGGJFSA-N 2 1 250.430 3.040 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@H]12 ZINC001236817252 819606557 /nfs/dbraw/zinc/60/65/57/819606557.db2.gz AOCYLIJMNPNIRT-OSAQELSMSA-N 2 1 299.245 3.205 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]12 ZINC001236822143 819608381 /nfs/dbraw/zinc/60/83/81/819608381.db2.gz YHRGHCYZAPANLA-RCCFBDPRSA-N 2 1 272.436 3.069 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236827496 819609741 /nfs/dbraw/zinc/60/97/41/819609741.db2.gz GFFOWRRLSBVQSG-WBIUFABUSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236827496 819609746 /nfs/dbraw/zinc/60/97/46/819609746.db2.gz GFFOWRRLSBVQSG-WBIUFABUSA-N 2 1 299.245 3.471 20 0 CGADMP CCC[N@H+](Cc1c[nH]c2cccc(C)c12)C[C@H]1CC[NH2+]C1 ZINC001236833882 819613447 /nfs/dbraw/zinc/61/34/47/819613447.db2.gz CWQIRGGZGMAIJZ-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236834796 819614897 /nfs/dbraw/zinc/61/48/97/819614897.db2.gz IFUKVNVWDBLZOL-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(F)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836561 819617019 /nfs/dbraw/zinc/61/70/19/819617019.db2.gz XJZQGPVPQLWLKV-OAHLLOKOSA-N 2 1 278.415 3.264 20 0 CGADMP CCC[N@H+](Cc1cccc2ccoc21)C[C@@H]1CC[NH2+]C1 ZINC001236844590 819620795 /nfs/dbraw/zinc/62/07/95/819620795.db2.gz WMQNLIWWMDQWII-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP c1cc2c(cc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1)NCCC2 ZINC001237159509 819684915 /nfs/dbraw/zinc/68/49/15/819684915.db2.gz BWJBXSGAWOCYOC-GOSISDBHSA-N 2 1 299.462 3.151 20 0 CGADMP c1cc2c(cc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1)NCCC2 ZINC001237159509 819684919 /nfs/dbraw/zinc/68/49/19/819684919.db2.gz BWJBXSGAWOCYOC-GOSISDBHSA-N 2 1 299.462 3.151 20 0 CGADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC001237188317 819692816 /nfs/dbraw/zinc/69/28/16/819692816.db2.gz JWVWQYYHSJYPAS-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2nccc(Cl)c2c1 ZINC001237266329 819712040 /nfs/dbraw/zinc/71/20/40/819712040.db2.gz CVGGBJPXTWDPGO-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2nccc(Cl)c2c1 ZINC001237266329 819712045 /nfs/dbraw/zinc/71/20/45/819712045.db2.gz CVGGBJPXTWDPGO-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP c1ccc2c(c1)C[NH2+]C21CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001237358716 819735562 /nfs/dbraw/zinc/73/55/62/819735562.db2.gz JMYCGGTYYBVQKA-MRXNPFEDSA-N 2 1 282.431 3.437 20 0 CGADMP CC1(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CCCCC1 ZINC001237379424 819737542 /nfs/dbraw/zinc/73/75/42/819737542.db2.gz BHAVLCWOHOZAFC-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP c1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237406804 819745970 /nfs/dbraw/zinc/74/59/70/819745970.db2.gz VOUDVJXMEFGNFT-BBRMVZONSA-N 2 1 270.376 3.007 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237406804 819745971 /nfs/dbraw/zinc/74/59/71/819745971.db2.gz VOUDVJXMEFGNFT-BBRMVZONSA-N 2 1 270.376 3.007 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001238680639 820081602 /nfs/dbraw/zinc/08/16/02/820081602.db2.gz ZVYOOJCGZRHRNT-CVEARBPZSA-N 2 1 290.476 3.100 20 0 CGADMP CSc1cc(C)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001238680639 820081611 /nfs/dbraw/zinc/08/16/11/820081611.db2.gz ZVYOOJCGZRHRNT-CVEARBPZSA-N 2 1 290.476 3.100 20 0 CGADMP CSc1cc(C)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001238680639 820081619 /nfs/dbraw/zinc/08/16/19/820081619.db2.gz ZVYOOJCGZRHRNT-CVEARBPZSA-N 2 1 290.476 3.100 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC001340513781 936407009 /nfs/dbraw/zinc/40/70/09/936407009.db2.gz JBNBGMKLCVOSDV-PKOBYXMFSA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccnc(Cl)c2)C1 ZINC001340517707 936407131 /nfs/dbraw/zinc/40/71/31/936407131.db2.gz VLGWJDSNMNXONC-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC001340517707 936407137 /nfs/dbraw/zinc/40/71/37/936407137.db2.gz VLGWJDSNMNXONC-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[N@@H+]1C[C@@]23CN(c4cc[nH+]cc4Cl)C[C@]2(C1)CCCC3 ZINC001348455745 936922412 /nfs/dbraw/zinc/92/24/12/936922412.db2.gz SJIIDYFFIYFPJE-IYBDPMFKSA-N 2 1 291.826 3.047 20 0 CGADMP C[N@H+]1C[C@@]23CN(c4cc[nH+]cc4Cl)C[C@]2(C1)CCCC3 ZINC001348455745 936922415 /nfs/dbraw/zinc/92/24/15/936922415.db2.gz SJIIDYFFIYFPJE-IYBDPMFKSA-N 2 1 291.826 3.047 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C)o1 ZINC001352112283 937037246 /nfs/dbraw/zinc/03/72/46/937037246.db2.gz MDZPHCYUWAHPTQ-BHYGNILZSA-N 2 1 276.424 3.059 20 0 CGADMP CCC[C@@H](CC)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398286916 926942207 /nfs/dbraw/zinc/94/22/07/926942207.db2.gz JGIRRFIABKJGFN-BDXSIMOUSA-N 2 1 272.436 3.285 20 0 CGADMP CCC[C@@H](CC)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398286916 926942215 /nfs/dbraw/zinc/94/22/15/926942215.db2.gz JGIRRFIABKJGFN-BDXSIMOUSA-N 2 1 272.436 3.285 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCCC(F)(F)F ZINC001355253794 937132627 /nfs/dbraw/zinc/13/26/27/937132627.db2.gz WEAFZXGJWXJOAJ-GFCCVEGCSA-N 2 1 266.351 3.183 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCCC(F)(F)F ZINC001355253794 937132629 /nfs/dbraw/zinc/13/26/29/937132629.db2.gz WEAFZXGJWXJOAJ-GFCCVEGCSA-N 2 1 266.351 3.183 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001308802087 928545073 /nfs/dbraw/zinc/54/50/73/928545073.db2.gz NLFAHHPADJXUSR-KLHKWILBSA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001308802087 928545082 /nfs/dbraw/zinc/54/50/82/928545082.db2.gz NLFAHHPADJXUSR-KLHKWILBSA-N 2 1 296.499 3.433 20 0 CGADMP CCCc1ccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC001460657901 937538058 /nfs/dbraw/zinc/53/80/58/937538058.db2.gz ZDMIKZLXYQMQEZ-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC001460657901 937538060 /nfs/dbraw/zinc/53/80/60/937538060.db2.gz ZDMIKZLXYQMQEZ-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC001460657901 937538062 /nfs/dbraw/zinc/53/80/62/937538062.db2.gz ZDMIKZLXYQMQEZ-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC001460657901 937538064 /nfs/dbraw/zinc/53/80/64/937538064.db2.gz ZDMIKZLXYQMQEZ-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC001460657901 937538067 /nfs/dbraw/zinc/53/80/67/937538067.db2.gz ZDMIKZLXYQMQEZ-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP c1ccc(CC2CC[NH+](CCC[N@H+]3C[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC001460757268 937543619 /nfs/dbraw/zinc/54/36/19/937543619.db2.gz DDWCRECJGVFTMR-BGYRXZFFSA-N 2 1 298.474 3.283 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(CC(C)C)nc1 ZINC001461001563 937558700 /nfs/dbraw/zinc/55/87/00/937558700.db2.gz KWEYKGWOHULRRX-UHFFFAOYSA-N 2 1 277.456 3.102 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC001461099985 937564075 /nfs/dbraw/zinc/56/40/75/937564075.db2.gz DXDBXOMHJDFGQI-MJSXRHKHSA-N 2 1 276.399 3.160 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C)s3)[C@H]2C1 ZINC001461828058 937599644 /nfs/dbraw/zinc/59/96/44/937599644.db2.gz HYSFUMQXSAGTNR-AEGPPILISA-N 2 1 292.492 3.475 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C(C)C)CC2)[C@@H](C)C1 ZINC001461872168 937602018 /nfs/dbraw/zinc/60/20/18/937602018.db2.gz UBUPFDSTUVGITR-LSDHHAIUSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C(C)C)CC2)[C@@H](C)C1 ZINC001461872168 937602021 /nfs/dbraw/zinc/60/20/21/937602021.db2.gz UBUPFDSTUVGITR-LSDHHAIUSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C(C)C)CC2)[C@@H](C)C1 ZINC001461872168 937602022 /nfs/dbraw/zinc/60/20/22/937602022.db2.gz UBUPFDSTUVGITR-LSDHHAIUSA-N 2 1 252.446 3.085 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](CC(C)C)C2CCOCC2)C1 ZINC001333148749 932755898 /nfs/dbraw/zinc/75/58/98/932755898.db2.gz AAXVJEAGFNWOCU-FUHWJXTLSA-N 2 1 296.499 3.149 20 0 CGADMP CCc1cc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001306932992 932896941 /nfs/dbraw/zinc/89/69/41/932896941.db2.gz UGJCLQPNFSJLKY-KBPBESRZSA-N 2 1 290.455 3.127 20 0 CGADMP COC1(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CCCC1 ZINC001462522372 937647348 /nfs/dbraw/zinc/64/73/48/937647348.db2.gz DGDXCJGGJPLHMI-UHFFFAOYSA-N 2 1 296.499 3.245 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CC[C@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC001307978470 933029043 /nfs/dbraw/zinc/02/90/43/933029043.db2.gz PEUJWLWNTUILRH-RLLQIKCJSA-N 2 1 298.474 3.380 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CC[C@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC001307978470 933029044 /nfs/dbraw/zinc/02/90/44/933029044.db2.gz PEUJWLWNTUILRH-RLLQIKCJSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CC[C@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC001307978470 933029045 /nfs/dbraw/zinc/02/90/45/933029045.db2.gz PEUJWLWNTUILRH-RLLQIKCJSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CC[C@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC001307978470 933029047 /nfs/dbraw/zinc/02/90/47/933029047.db2.gz PEUJWLWNTUILRH-RLLQIKCJSA-N 2 1 298.474 3.380 20 0 CGADMP C[C@H]1C[C@H](CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C[C@@H](C)C1 ZINC001308119790 933053560 /nfs/dbraw/zinc/05/35/60/933053560.db2.gz GQWQCPGUENQSJZ-ICUGJSFKSA-N 2 1 278.484 3.332 20 0 CGADMP C[C@H]1C[C@H](CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C[C@@H](C)C1 ZINC001308119790 933053563 /nfs/dbraw/zinc/05/35/63/933053563.db2.gz GQWQCPGUENQSJZ-ICUGJSFKSA-N 2 1 278.484 3.332 20 0 CGADMP C[C@H]1C[C@H](CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C[C@@H](C)C1 ZINC001308119790 933053567 /nfs/dbraw/zinc/05/35/67/933053567.db2.gz GQWQCPGUENQSJZ-ICUGJSFKSA-N 2 1 278.484 3.332 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C)CC2)C1 ZINC001308231763 933076587 /nfs/dbraw/zinc/07/65/87/933076587.db2.gz LWMIHBWZWYIORP-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001308231678 933076636 /nfs/dbraw/zinc/07/66/36/933076636.db2.gz MBMJMXKMJRWBMG-CQSZACIVSA-N 2 1 289.448 3.118 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccccc1Cl ZINC001308231313 933076713 /nfs/dbraw/zinc/07/67/13/933076713.db2.gz WNDGUUMCPNEJOV-UHFFFAOYSA-N 2 1 289.810 3.133 20 0 CGADMP C1=CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001308470196 933116519 /nfs/dbraw/zinc/11/65/19/933116519.db2.gz BFWJXHZNLNRAEQ-JKSUJKDBSA-N 2 1 262.441 3.339 20 0 CGADMP C1=CC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001308470196 933116522 /nfs/dbraw/zinc/11/65/22/933116522.db2.gz BFWJXHZNLNRAEQ-JKSUJKDBSA-N 2 1 262.441 3.339 20 0 CGADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc2ccccc21 ZINC001308478296 933117694 /nfs/dbraw/zinc/11/76/94/933117694.db2.gz HQVULCZYDUZJRE-CQSZACIVSA-N 2 1 286.419 3.278 20 0 CGADMP CC(C)C1(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC001308720144 933164224 /nfs/dbraw/zinc/16/42/24/933164224.db2.gz HXNBSOHDBVWYSH-UHFFFAOYSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001308753269 933170127 /nfs/dbraw/zinc/17/01/27/933170127.db2.gz NKSFJUCFKJCXCI-CRAIPNDOSA-N 2 1 272.436 3.411 20 0 CGADMP CC[NH+](CC)CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC001308980669 933220288 /nfs/dbraw/zinc/22/02/88/933220288.db2.gz ATUQAUJYCRTIQL-NVXWUHKLSA-N 2 1 278.440 3.084 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)c1cccc(Cl)c1 ZINC001308983353 933221632 /nfs/dbraw/zinc/22/16/32/933221632.db2.gz CLUQPQJCFVDYLM-QIJZBDPFSA-N 2 1 292.854 3.373 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC001319382019 933865090 /nfs/dbraw/zinc/86/50/90/933865090.db2.gz BZUGSTIYRADIQG-CXTNYUCXSA-N 2 1 276.468 3.133 20 0 CGADMP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1F ZINC001319483216 933882724 /nfs/dbraw/zinc/88/27/24/933882724.db2.gz VXYFIGKPMKCIEC-UHFFFAOYSA-N 2 1 294.414 3.233 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001319660920 933911191 /nfs/dbraw/zinc/91/11/91/933911191.db2.gz ZTTDNCRIYOJHQQ-IAGOWNOFSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001319660920 933911199 /nfs/dbraw/zinc/91/11/99/933911199.db2.gz ZTTDNCRIYOJHQQ-IAGOWNOFSA-N 2 1 275.440 3.484 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)nc2C)C1 ZINC001319743183 933925933 /nfs/dbraw/zinc/92/59/33/933925933.db2.gz FQOVHYXEBCAGTR-ZBFHGGJFSA-N 2 1 275.440 3.081 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001319753560 933927017 /nfs/dbraw/zinc/92/70/17/933927017.db2.gz DKFQSSRYYCOLFY-YJBOKZPZSA-N 2 1 295.430 3.464 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001319912126 933955943 /nfs/dbraw/zinc/95/59/43/933955943.db2.gz CRVWOXGFVNGQGK-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC001320527454 934061582 /nfs/dbraw/zinc/06/15/82/934061582.db2.gz XFMLXWKMLBVQDJ-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC001320527454 934061585 /nfs/dbraw/zinc/06/15/85/934061585.db2.gz XFMLXWKMLBVQDJ-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC001320718979 934093673 /nfs/dbraw/zinc/09/36/73/934093673.db2.gz JPWLUSJRQWIKOE-LSDHHAIUSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2c1cccc2F ZINC001321652216 934200889 /nfs/dbraw/zinc/20/08/89/934200889.db2.gz DWRVMYQFRWOLQW-QGZVFWFLSA-N 2 1 276.399 3.231 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2c1cccc2F ZINC001321652216 934200899 /nfs/dbraw/zinc/20/08/99/934200899.db2.gz DWRVMYQFRWOLQW-QGZVFWFLSA-N 2 1 276.399 3.231 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC001322474272 934304623 /nfs/dbraw/zinc/30/46/23/934304623.db2.gz CJWQXROJHRHKSE-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001323534110 934405047 /nfs/dbraw/zinc/40/50/47/934405047.db2.gz ISFVJBCEZCTBFV-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001323534110 934405052 /nfs/dbraw/zinc/40/50/52/934405052.db2.gz ISFVJBCEZCTBFV-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001323534110 934405057 /nfs/dbraw/zinc/40/50/57/934405057.db2.gz ISFVJBCEZCTBFV-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001323534110 934405061 /nfs/dbraw/zinc/40/50/61/934405061.db2.gz ISFVJBCEZCTBFV-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](CC(C)C)OC)CC1 ZINC001473111523 937792683 /nfs/dbraw/zinc/79/26/83/937792683.db2.gz FOJGBLZXIZOUBT-SFHVURJKSA-N 2 1 298.515 3.491 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1CC1 ZINC001473358593 937803084 /nfs/dbraw/zinc/80/30/84/937803084.db2.gz ZPIRJFMBOFDWJD-HWWDLCQESA-N 2 1 272.436 3.143 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC001325722856 934924874 /nfs/dbraw/zinc/92/48/74/934924874.db2.gz OPCAIXBAPXTQTD-VXGBXAGGSA-N 2 1 276.380 3.090 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001326045543 934946790 /nfs/dbraw/zinc/94/67/90/934946790.db2.gz JFHKZFNYNSEAKJ-OWCLPIDISA-N 2 1 296.499 3.290 20 0 CGADMP Clc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC001326278451 934965601 /nfs/dbraw/zinc/96/56/01/934965601.db2.gz WEEKPKZRNNQMQO-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC001473678296 937817040 /nfs/dbraw/zinc/81/70/40/937817040.db2.gz WELQFYYDKMKJCP-IAGOWNOFSA-N 2 1 284.488 3.245 20 0 CGADMP CSCCCCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328688804 935159584 /nfs/dbraw/zinc/15/95/84/935159584.db2.gz KECMQUCATWSBLM-CQSZACIVSA-N 2 1 272.502 3.372 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC001328815765 935170738 /nfs/dbraw/zinc/17/07/38/935170738.db2.gz NBEFBPGCGTWNEX-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC001330015955 935261124 /nfs/dbraw/zinc/26/11/24/935261124.db2.gz KCKQXPWIODBORG-CVEARBPZSA-N 2 1 298.833 3.484 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C[C@@H](OC)C2CCCCC2)CC1 ZINC001330545613 935295227 /nfs/dbraw/zinc/29/52/27/935295227.db2.gz XIYNCEYOEHBRRD-GOSISDBHSA-N 2 1 296.499 3.388 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC001331286380 935365469 /nfs/dbraw/zinc/36/54/69/935365469.db2.gz ANBOXDAYVDMLFB-LSDHHAIUSA-N 2 1 264.438 3.021 20 0 CGADMP Fc1ccc(CC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001334303461 936095979 /nfs/dbraw/zinc/09/59/79/936095979.db2.gz FWDLHWBNWADQHT-QGZVFWFLSA-N 2 1 290.426 3.080 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1OC ZINC001473814121 937822787 /nfs/dbraw/zinc/82/27/87/937822787.db2.gz YIIYBHWWDKTEHX-ZBFHGGJFSA-N 2 1 294.414 3.359 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(F)ccc1OC ZINC001473814121 937822789 /nfs/dbraw/zinc/82/27/89/937822789.db2.gz YIIYBHWWDKTEHX-ZBFHGGJFSA-N 2 1 294.414 3.359 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001473810104 937823012 /nfs/dbraw/zinc/82/30/12/937823012.db2.gz ULRMJITXFSQFIA-HUUCEWRRSA-N 2 1 299.393 3.492 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001473956733 937832219 /nfs/dbraw/zinc/83/22/19/937832219.db2.gz AYQABHBURCMZHW-CQSZACIVSA-N 2 1 289.448 3.118 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001473957957 937832232 /nfs/dbraw/zinc/83/22/32/937832232.db2.gz YLCAACLPAHKTAU-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001473957957 937832233 /nfs/dbraw/zinc/83/22/33/937832233.db2.gz YLCAACLPAHKTAU-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC001473969693 937833472 /nfs/dbraw/zinc/83/34/72/937833472.db2.gz SBPGYCCZNNNGQM-HNNXBMFYSA-N 2 1 283.419 3.431 20 0 CGADMP CCNc1ccccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001474133380 937841429 /nfs/dbraw/zinc/84/14/29/937841429.db2.gz RWBBJHDZRONBDK-UHFFFAOYSA-N 2 1 289.467 3.330 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](CCC)OC)CC1 ZINC001474356702 937853886 /nfs/dbraw/zinc/85/38/86/937853886.db2.gz RCHUMVHMGCUCBU-QGZVFWFLSA-N 2 1 284.488 3.245 20 0 CGADMP CC[C@@H](C)[C@@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)OC ZINC001474681258 937874963 /nfs/dbraw/zinc/87/49/63/937874963.db2.gz AVCDRHZGLIGCQJ-IAGOWNOFSA-N 2 1 284.488 3.245 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)c12 ZINC001550170839 938163883 /nfs/dbraw/zinc/16/38/83/938163883.db2.gz ZLCBRCPTFSJBBT-HOTGVXAUSA-N 2 1 281.403 3.074 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)c12 ZINC001550170839 938163884 /nfs/dbraw/zinc/16/38/84/938163884.db2.gz ZLCBRCPTFSJBBT-HOTGVXAUSA-N 2 1 281.403 3.074 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2C[C@H]2CC[C@@H]([NH3+])C2)sc1C ZINC001550353531 938166231 /nfs/dbraw/zinc/16/62/31/938166231.db2.gz PGJQYKBCNBHAGP-ZNMIVQPWSA-N 2 1 293.480 3.414 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552412693 938191955 /nfs/dbraw/zinc/19/19/55/938191955.db2.gz UOKDTZUGVGSBCC-BQFCYCMXSA-N 2 1 272.436 3.241 20 0 CGADMP Cc1nc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001559078162 938219925 /nfs/dbraw/zinc/21/99/25/938219925.db2.gz WBNSGKWBLCWMOI-SJCJKPOMSA-N 2 1 290.455 3.324 20 0 CGADMP CC(C)[C@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC001559688823 938233059 /nfs/dbraw/zinc/23/30/59/938233059.db2.gz DTIAAJSTLHKTJL-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC001559688823 938233060 /nfs/dbraw/zinc/23/30/60/938233060.db2.gz DTIAAJSTLHKTJL-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC001559688823 938233061 /nfs/dbraw/zinc/23/30/61/938233061.db2.gz DTIAAJSTLHKTJL-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CCCCC1(C)C ZINC001560136794 938244830 /nfs/dbraw/zinc/24/48/30/938244830.db2.gz DXBYMDMFVJECOX-OWCLPIDISA-N 2 1 264.457 3.371 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001560155927 938245426 /nfs/dbraw/zinc/24/54/26/938245426.db2.gz YCHNZZQKKKUNJD-RRFJBIMHSA-N 2 1 261.413 3.027 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCc2ccccc21 ZINC001560155616 938245506 /nfs/dbraw/zinc/24/55/06/938245506.db2.gz PTTJUWCBDSUYHT-HNAYVOBHSA-N 2 1 293.414 3.280 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)C(C)(C)C ZINC001560238147 938248565 /nfs/dbraw/zinc/24/85/65/938248565.db2.gz JHQKIFCKFPPPQE-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H](C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3)C(C)(C)C ZINC001560238147 938248566 /nfs/dbraw/zinc/24/85/66/938248566.db2.gz JHQKIFCKFPPPQE-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H](C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3)C(C)(C)C ZINC001560238147 938248567 /nfs/dbraw/zinc/24/85/67/938248567.db2.gz JHQKIFCKFPPPQE-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001560367291 938255553 /nfs/dbraw/zinc/25/55/53/938255553.db2.gz FWWCVQBCOGQYRZ-LSDHHAIUSA-N 2 1 293.480 3.302 20 0 CGADMP Cc1ccc(F)c(CNCCC[N@H+](C)CC(C)C)c1 ZINC001560524137 938261460 /nfs/dbraw/zinc/26/14/60/938261460.db2.gz ZSBWRNICEPCMST-UHFFFAOYSA-N 2 1 266.404 3.202 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C(F)F)[C@@H](C)C1 ZINC001560637441 938267285 /nfs/dbraw/zinc/26/72/85/938267285.db2.gz CQUQJUIYVJUKFK-JSGCOSHPSA-N 2 1 285.382 3.045 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C(F)F)[C@@H](C)C1 ZINC001560637441 938267286 /nfs/dbraw/zinc/26/72/86/938267286.db2.gz CQUQJUIYVJUKFK-JSGCOSHPSA-N 2 1 285.382 3.045 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C(F)F)[C@@H](C)C1 ZINC001560637441 938267288 /nfs/dbraw/zinc/26/72/88/938267288.db2.gz CQUQJUIYVJUKFK-JSGCOSHPSA-N 2 1 285.382 3.045 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C(F)F)[C@@H](C)C1 ZINC001560637441 938267289 /nfs/dbraw/zinc/26/72/89/938267289.db2.gz CQUQJUIYVJUKFK-JSGCOSHPSA-N 2 1 285.382 3.045 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C(C)C)CC2)C[C@@H]1C ZINC001560636706 938267344 /nfs/dbraw/zinc/26/73/44/938267344.db2.gz LQAUEROUZSQYOS-LSDHHAIUSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C(C)C)CC2)C[C@@H]1C ZINC001560636706 938267346 /nfs/dbraw/zinc/26/73/46/938267346.db2.gz LQAUEROUZSQYOS-LSDHHAIUSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C(C)C)CC2)C[C@@H]1C ZINC001560636706 938267348 /nfs/dbraw/zinc/26/73/48/938267348.db2.gz LQAUEROUZSQYOS-LSDHHAIUSA-N 2 1 252.446 3.227 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)c1ccc(C)cc1 ZINC001560811437 938277315 /nfs/dbraw/zinc/27/73/15/938277315.db2.gz KSUQILHKTHIFOD-MRXNPFEDSA-N 2 1 262.441 3.372 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001560869228 938280587 /nfs/dbraw/zinc/28/05/87/938280587.db2.gz BDWJUMYXFJTDFW-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001560869228 938280589 /nfs/dbraw/zinc/28/05/89/938280589.db2.gz BDWJUMYXFJTDFW-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)CC1CC[NH+](C)CC1 ZINC001560933057 938284926 /nfs/dbraw/zinc/28/49/26/938284926.db2.gz CEDBXEKPJLSMBN-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2N(C)C)CC1 ZINC001561055474 938292089 /nfs/dbraw/zinc/29/20/89/938292089.db2.gz NLPUCBKCJPRDPM-CYBMUJFWSA-N 2 1 293.430 3.027 20 0 CGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001561052740 938292100 /nfs/dbraw/zinc/29/21/00/938292100.db2.gz KCUQNKIDGUZASR-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001575421935 962372847 /nfs/dbraw/zinc/37/28/47/962372847.db2.gz CZNYKSGMDGDKPS-QZTJIDSGSA-N 2 1 274.452 3.315 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001575423771 962373909 /nfs/dbraw/zinc/37/39/09/962373909.db2.gz XQZIDVMKXDDTQJ-MSOLQXFVSA-N 2 1 274.452 3.172 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@H]2CCCC[NH2+]C2)c1 ZINC001575812970 962407172 /nfs/dbraw/zinc/40/71/72/962407172.db2.gz IQERLOGASMVYBV-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H](CC1CCCCC1)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001575934672 962416367 /nfs/dbraw/zinc/41/63/67/962416367.db2.gz RZUZVHLSBJYAJF-DJIMGWMZSA-N 2 1 264.457 3.406 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001576052172 962425905 /nfs/dbraw/zinc/42/59/05/962425905.db2.gz HWJUYVRAHPJMQQ-RABLLNBGSA-N 2 1 298.352 3.119 20 0 CGADMP C[C@H](C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1 ZINC001576032476 962432962 /nfs/dbraw/zinc/43/29/62/962432962.db2.gz DXLFRFDYMVNAPK-DAXOMENPSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(C)(C)C[NH3+])C1 ZINC001576622375 962473639 /nfs/dbraw/zinc/47/36/39/962473639.db2.gz CXQINPBDUJTMAU-SWLSCSKDSA-N 2 1 264.388 3.194 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576623766 962476214 /nfs/dbraw/zinc/47/62/14/962476214.db2.gz MRLJMFFLEQJVRJ-IFCWYPFCSA-N 2 1 272.436 3.108 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001576627734 962478265 /nfs/dbraw/zinc/47/82/65/962478265.db2.gz VESLCDUIFOOCKO-VYDXJSESSA-N 2 1 258.409 3.069 20 0 CGADMP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1cnc2ccccc2c1 ZINC001576689633 962480269 /nfs/dbraw/zinc/48/02/69/962480269.db2.gz DDJMHVLRKSSFNZ-RDTXWAMCSA-N 2 1 283.419 3.232 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001576759608 962491396 /nfs/dbraw/zinc/49/13/96/962491396.db2.gz ZCZXEVHHERLAKF-FTGAXOIBSA-N 2 1 286.341 3.021 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001577076667 962507294 /nfs/dbraw/zinc/50/72/94/962507294.db2.gz AFDQPPSSMJVUSK-HYVNUMGLSA-N 2 1 260.425 3.128 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(SC)s1 ZINC001577397237 962532655 /nfs/dbraw/zinc/53/26/55/962532655.db2.gz SAMTVKZXECJPAT-JTQLQIEISA-N 2 1 258.456 3.077 20 0 CGADMP CC[NH2+]C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC001577821620 962566123 /nfs/dbraw/zinc/56/61/23/962566123.db2.gz ZAHQZJSTPZRKOL-UHFFFAOYSA-N 2 1 298.430 3.293 20 0 CGADMP CCc1ccc([C@@H]2CCC[N@@H+](CCC[NH2+]C)C2)cc1 ZINC001578254872 962574648 /nfs/dbraw/zinc/57/46/48/962574648.db2.gz JFHPUEOFJJMSGZ-QGZVFWFLSA-N 2 1 260.425 3.038 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC001579581542 962637255 /nfs/dbraw/zinc/63/72/55/962637255.db2.gz ZIKKDQUCMSPXIL-IAGOWNOFSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC001579581542 962637269 /nfs/dbraw/zinc/63/72/69/962637269.db2.gz ZIKKDQUCMSPXIL-IAGOWNOFSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001579678673 962653238 /nfs/dbraw/zinc/65/32/38/962653238.db2.gz MYSHLJCPKJGTRW-SJLPKXTDSA-N 2 1 272.436 3.174 20 0 CGADMP Cc1ccc([C@H]2CC[N@H+](C[C@@H](C[NH3+])C(C)C)C2)cc1 ZINC001579678225 962654743 /nfs/dbraw/zinc/65/47/43/962654743.db2.gz IVSZIEKWUWGIQZ-DLBZAZTESA-N 2 1 260.425 3.015 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@H](C[NH3+])C(C)C)C2)cc1 ZINC001579678228 962656998 /nfs/dbraw/zinc/65/69/98/962656998.db2.gz IVSZIEKWUWGIQZ-SJORKVTESA-N 2 1 260.425 3.015 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC(C)(C)C[NH3+])c1C ZINC001579757265 962667482 /nfs/dbraw/zinc/66/74/82/962667482.db2.gz VGQGOQIGTKLDAQ-MRXNPFEDSA-N 2 1 260.425 3.425 20 0 CGADMP Fc1ccc(CC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC001580030017 962686261 /nfs/dbraw/zinc/68/62/61/962686261.db2.gz FFSUUNAFETWTPE-WMZOPIPTSA-N 2 1 290.426 3.222 20 0 CGADMP Fc1cccc(CC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001580033158 962690170 /nfs/dbraw/zinc/69/01/70/962690170.db2.gz ABRHNXJIHVVSEG-WMZOPIPTSA-N 2 1 290.426 3.222 20 0 CGADMP [NH3+]Cc1cccc(C[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC001580343031 962720643 /nfs/dbraw/zinc/72/06/43/962720643.db2.gz UTJYSOGPFPQNEA-UHFFFAOYSA-N 2 1 299.399 3.152 20 0 CGADMP c1cc(CC2CCC2)cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001580887682 962741769 /nfs/dbraw/zinc/74/17/69/962741769.db2.gz CQNYHCOCXVGDKB-RTBURBONSA-N 2 1 284.447 3.213 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nn1C ZINC000337521188 214135509 /nfs/dbraw/zinc/13/55/09/214135509.db2.gz PKXWESPAHUMJOM-ZBFHGGJFSA-N 2 1 292.471 3.034 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3cnccc3o2)CC1 ZINC000651621555 398259369 /nfs/dbraw/zinc/25/93/69/398259369.db2.gz VDDQZMJBRMDPCV-UHFFFAOYSA-N 2 1 287.407 3.134 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000651730385 398277559 /nfs/dbraw/zinc/27/75/59/398277559.db2.gz JLAFQBUGIDNYFC-WMZOPIPTSA-N 2 1 296.499 3.434 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000622004463 349620794 /nfs/dbraw/zinc/62/07/94/349620794.db2.gz PDQIUTJDGGGFNC-RBUKOAKNSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000622004463 349620796 /nfs/dbraw/zinc/62/07/96/349620796.db2.gz PDQIUTJDGGGFNC-RBUKOAKNSA-N 2 1 293.414 3.062 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000651786580 398287934 /nfs/dbraw/zinc/28/79/34/398287934.db2.gz BITGHEYCRNBUSQ-IIAWOOMASA-N 2 1 261.413 3.004 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccnc2ccccc12 ZINC000651865895 398298826 /nfs/dbraw/zinc/29/88/26/398298826.db2.gz LTXSAMJYIIXSQP-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccsc1 ZINC000338006111 214355351 /nfs/dbraw/zinc/35/53/51/214355351.db2.gz DRXFNMRXBXPGGD-ZDUSSCGKSA-N 2 1 277.437 3.254 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125528292 187189696 /nfs/dbraw/zinc/18/96/96/187189696.db2.gz NKQLMXWYIDRHQP-CQSZACIVSA-N 2 1 264.413 3.065 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000125978865 187208512 /nfs/dbraw/zinc/20/85/12/187208512.db2.gz MEJXULAPVQZJDZ-LSDHHAIUSA-N 2 1 264.413 3.359 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000125978865 187208513 /nfs/dbraw/zinc/20/85/13/187208513.db2.gz MEJXULAPVQZJDZ-LSDHHAIUSA-N 2 1 264.413 3.359 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CCCC1 ZINC000449189008 529584628 /nfs/dbraw/zinc/58/46/28/529584628.db2.gz TWNQRLWGEMDOOQ-SFHVURJKSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1ccc(-c2ccc(C[NH2+]CCc3c[nH+]cn3C)o2)cc1 ZINC000623086847 349757751 /nfs/dbraw/zinc/75/77/51/349757751.db2.gz NLGYFCPCAYVNQS-UHFFFAOYSA-N 2 1 295.386 3.321 20 0 CGADMP COc1ccccc1[C@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339193 349782428 /nfs/dbraw/zinc/78/24/28/349782428.db2.gz NYIGIDHSJZDAHP-UONOGXRCSA-N 2 1 276.424 3.219 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339193 349782433 /nfs/dbraw/zinc/78/24/33/349782433.db2.gz NYIGIDHSJZDAHP-UONOGXRCSA-N 2 1 276.424 3.219 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623364016 349789838 /nfs/dbraw/zinc/78/98/38/349789838.db2.gz PDKMRIUPDMZUCV-ZFWWWQNUSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC000423380059 529659939 /nfs/dbraw/zinc/65/99/39/529659939.db2.gz MNTSPYGMHVNUIA-JMSVASOKSA-N 2 1 250.361 3.007 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000423394953 529671824 /nfs/dbraw/zinc/67/18/24/529671824.db2.gz MZLLVKJZWCFKSU-ONERCXAPSA-N 2 1 268.351 3.004 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126314452 187232786 /nfs/dbraw/zinc/23/27/86/187232786.db2.gz DIPLJXSQRUQBHT-OLZOCXBDSA-N 2 1 272.396 3.100 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CC1(C)C ZINC000623381965 349795150 /nfs/dbraw/zinc/79/51/50/349795150.db2.gz QKTFDHNKHGWESU-GOEBONIOSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)CC1(C)C ZINC000623424389 349804491 /nfs/dbraw/zinc/80/44/91/349804491.db2.gz PIEAOEXZWQYFGA-OWCLPIDISA-N 2 1 296.499 3.290 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623448444 349812419 /nfs/dbraw/zinc/81/24/19/349812419.db2.gz VEIADMXMVUHPKD-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414185513 529729716 /nfs/dbraw/zinc/72/97/16/529729716.db2.gz OUHOPLOQYFTUSV-JSGCOSHPSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)CCC2 ZINC000423257854 529747590 /nfs/dbraw/zinc/74/75/90/529747590.db2.gz AIQOSNRWGRFXMC-NEPJUHHUSA-N 2 1 281.469 3.046 20 0 CGADMP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623491003 349819060 /nfs/dbraw/zinc/81/90/60/349819060.db2.gz AFDLSMCBQWHDON-YPMHNXCESA-N 2 1 281.469 3.017 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000623491170 349819021 /nfs/dbraw/zinc/81/90/21/349819021.db2.gz IARDHLHWHLYKEQ-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)CC1(C)C ZINC000623503858 349822705 /nfs/dbraw/zinc/82/27/05/349822705.db2.gz QRHRVEJOZYLDKY-HNNXBMFYSA-N 2 1 271.408 3.130 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC1(C)C ZINC000623552125 349832231 /nfs/dbraw/zinc/83/22/31/349832231.db2.gz YCSSLARDENTFQU-MCIONIFRSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC1(C)C ZINC000623552127 349832571 /nfs/dbraw/zinc/83/25/71/349832571.db2.gz YCSSLARDENTFQU-RDBSUJKOSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073101 529799318 /nfs/dbraw/zinc/79/93/18/529799318.db2.gz WHUPDEJGMXRPBX-CADBVGFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073101 529799319 /nfs/dbraw/zinc/79/93/19/529799319.db2.gz WHUPDEJGMXRPBX-CADBVGFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073101 529799320 /nfs/dbraw/zinc/79/93/20/529799320.db2.gz WHUPDEJGMXRPBX-CADBVGFASA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)CC1(C)C ZINC000623559607 349834899 /nfs/dbraw/zinc/83/48/99/349834899.db2.gz HSZYTFCPORPYRQ-MELADBBJSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H]2CCC[C@@H]21 ZINC000423436693 529806813 /nfs/dbraw/zinc/80/68/13/529806813.db2.gz FPQJZIDHJHHKNR-WDSOQIARSA-N 2 1 299.462 3.007 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@H]2CCC[C@H]21 ZINC000423337321 529806924 /nfs/dbraw/zinc/80/69/24/529806924.db2.gz AOGNTCYIBABLLI-AKHDSKFASA-N 2 1 299.462 3.109 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000623657248 349858608 /nfs/dbraw/zinc/85/86/08/349858608.db2.gz MCHIHDFHLRWBEI-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000623656823 349858626 /nfs/dbraw/zinc/85/86/26/349858626.db2.gz CPHWQFAMDQJHOJ-CABCVRRESA-N 2 1 278.415 3.251 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000623655939 349856859 /nfs/dbraw/zinc/85/68/59/349856859.db2.gz JDCQTOSEZHZODX-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000623656236 349857647 /nfs/dbraw/zinc/85/76/47/349857647.db2.gz PUFJYWZKGKEASI-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000592475790 346992705 /nfs/dbraw/zinc/99/27/05/346992705.db2.gz IYFGMAGAVRNGBE-JKSUJKDBSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)CC[N@@H+]1C ZINC000128106876 187352407 /nfs/dbraw/zinc/35/24/07/187352407.db2.gz PMTJPXUTWUEELP-MHABSNSOSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)CC[N@H+]1C ZINC000128106876 187352408 /nfs/dbraw/zinc/35/24/08/187352408.db2.gz PMTJPXUTWUEELP-MHABSNSOSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCCO1 ZINC000623864364 349899550 /nfs/dbraw/zinc/89/95/50/349899550.db2.gz MWRUIAHJRAJGRB-IKGGRYGDSA-N 2 1 282.472 3.188 20 0 CGADMP C[NH2+]CC[NH2+][C@@H](C)CCc1ccc(OCC=C(C)C)cc1 ZINC000423228121 529978474 /nfs/dbraw/zinc/97/84/74/529978474.db2.gz YGKOVBXETBYCMD-INIZCTEOSA-N 2 1 290.451 3.162 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000423267020 529986002 /nfs/dbraw/zinc/98/60/02/529986002.db2.gz DPBTVHWZBHPKFO-NXEZZACHSA-N 2 1 275.223 3.500 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000044532546 345012132 /nfs/dbraw/zinc/01/21/32/345012132.db2.gz LCVZKWSLHUBYLA-PBHICJAKSA-N 2 1 258.409 3.069 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044532926 345012813 /nfs/dbraw/zinc/01/28/13/345012813.db2.gz CVUKYJLGDTXRPQ-RDJZCZTQSA-N 2 1 260.425 3.315 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534867 345012993 /nfs/dbraw/zinc/01/29/93/345012993.db2.gz ZRVRILRDMXMDEC-HZPDHXFCSA-N 2 1 290.451 3.466 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000155360175 232224444 /nfs/dbraw/zinc/22/44/44/232224444.db2.gz CCFDFNQHOZZSIQ-UHFFFAOYSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000155360175 232224446 /nfs/dbraw/zinc/22/44/46/232224446.db2.gz CCFDFNQHOZZSIQ-UHFFFAOYSA-N 2 1 283.419 3.002 20 0 CGADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000090972586 345798870 /nfs/dbraw/zinc/79/88/70/345798870.db2.gz FGGTVHZMAVJIMX-ZWKOTPCHSA-N 2 1 284.447 3.008 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccsc2C)C[C@H]1C ZINC000351643461 219160031 /nfs/dbraw/zinc/16/00/31/219160031.db2.gz DKNRGKLLUOROMV-DOMZBBRYSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2C)C[C@H]1C ZINC000351643461 219160034 /nfs/dbraw/zinc/16/00/34/219160034.db2.gz DKNRGKLLUOROMV-DOMZBBRYSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2C)C[C@H]1C ZINC000351643461 219160035 /nfs/dbraw/zinc/16/00/35/219160035.db2.gz DKNRGKLLUOROMV-DOMZBBRYSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2C)C[C@H]1C ZINC000351643461 219160038 /nfs/dbraw/zinc/16/00/38/219160038.db2.gz DKNRGKLLUOROMV-DOMZBBRYSA-N 2 1 266.454 3.361 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000094338858 345898100 /nfs/dbraw/zinc/89/81/00/345898100.db2.gz ZNLHZPGRNXPLOC-PMPSAXMXSA-N 2 1 260.425 3.342 20 0 CGADMP C[N@H+](CCOc1cccc(F)c1)CC[C@H]1CCCC[NH+]1C ZINC000351648657 219162556 /nfs/dbraw/zinc/16/25/56/219162556.db2.gz UGESOACGPSXINK-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP C[N@@H+](CCOc1cccc(F)c1)CC[C@H]1CCCC[NH+]1C ZINC000351648657 219162559 /nfs/dbraw/zinc/16/25/59/219162559.db2.gz UGESOACGPSXINK-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1cccc(F)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000351648657 219162561 /nfs/dbraw/zinc/16/25/61/219162561.db2.gz UGESOACGPSXINK-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1cccc(F)c1)CC[C@H]1CCCC[N@H+]1C ZINC000351648657 219162562 /nfs/dbraw/zinc/16/25/62/219162562.db2.gz UGESOACGPSXINK-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000121358773 346001303 /nfs/dbraw/zinc/00/13/03/346001303.db2.gz MRBREKUIODAEFG-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]CCc2ccc(C(C)C)cc2)C1 ZINC000127377725 346030850 /nfs/dbraw/zinc/03/08/50/346030850.db2.gz WTJQDOQONNDRQG-KRWDZBQOSA-N 2 1 274.452 3.284 20 0 CGADMP Cc1sccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000351689120 219176702 /nfs/dbraw/zinc/17/67/02/219176702.db2.gz YALBTKZYILRFKG-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1sccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000351689120 219176705 /nfs/dbraw/zinc/17/67/05/219176705.db2.gz YALBTKZYILRFKG-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1sccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000351689120 219176706 /nfs/dbraw/zinc/17/67/06/219176706.db2.gz YALBTKZYILRFKG-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1sccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000351689120 219176709 /nfs/dbraw/zinc/17/67/09/219176709.db2.gz YALBTKZYILRFKG-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000252121577 346390097 /nfs/dbraw/zinc/39/00/97/346390097.db2.gz KWRFKHOEORWVSM-FPCVCCKLSA-N 2 1 252.446 3.131 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4CCCC4)C[C@@H]3C2)cc1 ZINC000307456236 346463084 /nfs/dbraw/zinc/46/30/84/346463084.db2.gz FJSOKVFGKFUZEU-MSOLQXFVSA-N 2 1 284.447 3.383 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000311747034 346474535 /nfs/dbraw/zinc/47/45/35/346474535.db2.gz SQDMOJUDOQUVEG-CVEARBPZSA-N 2 1 262.441 3.499 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000311747034 346474538 /nfs/dbraw/zinc/47/45/38/346474538.db2.gz SQDMOJUDOQUVEG-CVEARBPZSA-N 2 1 262.441 3.499 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339068105 346500928 /nfs/dbraw/zinc/50/09/28/346500928.db2.gz NXOZHSRVMWUVHN-XUWVNRHRSA-N 2 1 282.497 3.267 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000401688974 346592902 /nfs/dbraw/zinc/59/29/02/346592902.db2.gz ZFGCQHAXHSHVEX-HNNXBMFYSA-N 2 1 261.413 3.055 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)o1 ZINC000584682253 346707228 /nfs/dbraw/zinc/70/72/28/346707228.db2.gz MCGIADIYZCGKSU-VRKREXBASA-N 2 1 276.424 3.175 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000119188666 370652719 /nfs/dbraw/zinc/65/27/19/370652719.db2.gz QTJFBVMSRBBMAK-QANKJYHBSA-N 2 1 288.435 3.219 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000119188666 370652725 /nfs/dbraw/zinc/65/27/25/370652725.db2.gz QTJFBVMSRBBMAK-QANKJYHBSA-N 2 1 288.435 3.219 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120315 349976332 /nfs/dbraw/zinc/97/63/32/349976332.db2.gz WCOUUYKSMYPOAN-AEFFLSMTSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCC2 ZINC000624120626 349976353 /nfs/dbraw/zinc/97/63/53/349976353.db2.gz CQRZJHOIQIKEAN-ZIAGYGMSSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000351861612 219228777 /nfs/dbraw/zinc/22/87/77/219228777.db2.gz LBRKDRQXLRHQEZ-CHWSQXEVSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120316 349977362 /nfs/dbraw/zinc/97/73/62/349977362.db2.gz WCOUUYKSMYPOAN-FUHWJXTLSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624121371 349978997 /nfs/dbraw/zinc/97/89/97/349978997.db2.gz UVYPJTMTQROROV-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121944 349979857 /nfs/dbraw/zinc/97/98/57/349979857.db2.gz GLGJZKPZCSEGCJ-CABCVRRESA-N 2 1 275.440 3.027 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121944 349979858 /nfs/dbraw/zinc/97/98/58/349979858.db2.gz GLGJZKPZCSEGCJ-CABCVRRESA-N 2 1 275.440 3.027 20 0 CGADMP C[N@H+](CCOCc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000351910568 219245192 /nfs/dbraw/zinc/24/51/92/219245192.db2.gz YJRXTHBTAXCFLA-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP C[N@@H+](CCOCc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000351910568 219245195 /nfs/dbraw/zinc/24/51/95/219245195.db2.gz YJRXTHBTAXCFLA-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](CCOCc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000351910568 219245198 /nfs/dbraw/zinc/24/51/98/219245198.db2.gz YJRXTHBTAXCFLA-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](CCOCc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000351910568 219245201 /nfs/dbraw/zinc/24/52/01/219245201.db2.gz YJRXTHBTAXCFLA-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP C[N@H+](CCOCc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000351910569 219245440 /nfs/dbraw/zinc/24/54/40/219245440.db2.gz YJRXTHBTAXCFLA-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP C[N@@H+](CCOCc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000351910569 219245442 /nfs/dbraw/zinc/24/54/42/219245442.db2.gz YJRXTHBTAXCFLA-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](CCOCc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000351910569 219245443 /nfs/dbraw/zinc/24/54/43/219245443.db2.gz YJRXTHBTAXCFLA-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](CCOCc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000351910569 219245444 /nfs/dbraw/zinc/24/54/44/219245444.db2.gz YJRXTHBTAXCFLA-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000624123168 349982999 /nfs/dbraw/zinc/98/29/99/349982999.db2.gz HBWYPQKZCXNSGD-LPHOPBHVSA-N 2 1 286.463 3.256 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000624123672 349983258 /nfs/dbraw/zinc/98/32/58/349983258.db2.gz QGFKRXGOCCBRCU-OWCLPIDISA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000339410380 215153941 /nfs/dbraw/zinc/15/39/41/215153941.db2.gz RNJXOVMVMBOFEC-AWEZNQCLSA-N 2 1 293.480 3.133 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624124063 349982795 /nfs/dbraw/zinc/98/27/95/349982795.db2.gz WFJUIGJFOFJMOW-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000624123325 349983384 /nfs/dbraw/zinc/98/33/84/349983384.db2.gz JWNKCBCUXUYPCD-STQMWFEESA-N 2 1 297.393 3.402 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000624123325 349983386 /nfs/dbraw/zinc/98/33/86/349983386.db2.gz JWNKCBCUXUYPCD-STQMWFEESA-N 2 1 297.393 3.402 20 0 CGADMP CCC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000608057111 348279850 /nfs/dbraw/zinc/27/98/50/348279850.db2.gz JUOWUFJLYZESFL-HTWSVDAQSA-N 2 1 294.483 3.188 20 0 CGADMP C([C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC000608500396 348315410 /nfs/dbraw/zinc/31/54/10/348315410.db2.gz FUGSPSLNYDMGAD-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCC1(C)C ZINC000339577792 215253651 /nfs/dbraw/zinc/25/36/51/215253651.db2.gz QTVYRNSRPOYXQL-CQSZACIVSA-N 2 1 261.413 3.064 20 0 CGADMP Fc1ccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CC2)c(F)c1 ZINC000359222667 233280815 /nfs/dbraw/zinc/28/08/15/233280815.db2.gz QCALGPHLDBZCNU-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000359364278 233305682 /nfs/dbraw/zinc/30/56/82/233305682.db2.gz OOSSUTFJAUHYDN-CQSZACIVSA-N 2 1 278.440 3.471 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351277 191089521 /nfs/dbraw/zinc/08/95/21/191089521.db2.gz YMFNRQSKFKPSKE-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351277 191089524 /nfs/dbraw/zinc/08/95/24/191089524.db2.gz YMFNRQSKFKPSKE-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351277 191089526 /nfs/dbraw/zinc/08/95/26/191089526.db2.gz YMFNRQSKFKPSKE-DOTOQJQBSA-N 2 1 276.399 3.099 20 0 CGADMP Cc1nc(C)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000628200280 350437413 /nfs/dbraw/zinc/43/74/13/350437413.db2.gz GBNCZSLIRPPPSY-UHFFFAOYSA-N 2 1 299.418 3.177 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000628217088 350445610 /nfs/dbraw/zinc/44/56/10/350445610.db2.gz KHHNUBHDLNQAAW-KZNAEPCWSA-N 2 1 296.499 3.029 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000628234546 350456097 /nfs/dbraw/zinc/45/60/97/350456097.db2.gz DMCNOXATJGWEGB-NXHRZFHOSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000628234546 350456098 /nfs/dbraw/zinc/45/60/98/350456098.db2.gz DMCNOXATJGWEGB-NXHRZFHOSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000628234546 350456100 /nfs/dbraw/zinc/45/61/00/350456100.db2.gz DMCNOXATJGWEGB-NXHRZFHOSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000628234546 350456102 /nfs/dbraw/zinc/45/61/02/350456102.db2.gz DMCNOXATJGWEGB-NXHRZFHOSA-N 2 1 272.436 3.125 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000628425718 350536919 /nfs/dbraw/zinc/53/69/19/350536919.db2.gz SOVUZLAGBMDKIP-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CC[C@H](c1ccncc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000271379437 191107545 /nfs/dbraw/zinc/10/75/45/191107545.db2.gz JVHZIKLKGMUBPD-MRXNPFEDSA-N 2 1 272.396 3.060 20 0 CGADMP CC[C@H](c1ccncc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000271379437 191107547 /nfs/dbraw/zinc/10/75/47/191107547.db2.gz JVHZIKLKGMUBPD-MRXNPFEDSA-N 2 1 272.396 3.060 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000629528100 350703330 /nfs/dbraw/zinc/70/33/30/350703330.db2.gz PGHDXCXPSOFZSQ-GDBMZVCRSA-N 2 1 289.467 3.327 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC000629535364 350704695 /nfs/dbraw/zinc/70/46/95/350704695.db2.gz CBFCBOYXSAEEKJ-DZUCGIPZSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543960 350708304 /nfs/dbraw/zinc/70/83/04/350708304.db2.gz HEBLMCJIELKOCL-JUFZMCDQSA-N 2 1 266.816 3.172 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550252 350710809 /nfs/dbraw/zinc/71/08/09/350710809.db2.gz KQYIITHIHPLJCQ-ROUUACIJSA-N 2 1 295.430 3.498 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000629549079 350711010 /nfs/dbraw/zinc/71/10/10/350711010.db2.gz PZURNCGPPAAULV-UKRRQHHQSA-N 2 1 275.440 3.079 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000629549079 350711011 /nfs/dbraw/zinc/71/10/11/350711011.db2.gz PZURNCGPPAAULV-UKRRQHHQSA-N 2 1 275.440 3.079 20 0 CGADMP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629553197 350711741 /nfs/dbraw/zinc/71/17/41/350711741.db2.gz NYUJKGZBBQETQO-BMFZPTHFSA-N 2 1 278.827 3.003 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000629551633 350711751 /nfs/dbraw/zinc/71/17/51/350711751.db2.gz VZURFZLNDYZYCO-ZFWWWQNUSA-N 2 1 294.389 3.144 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629568814 350714114 /nfs/dbraw/zinc/71/41/14/350714114.db2.gz UXCNVDITAZPYFT-XBFCOCLRSA-N 2 1 286.341 3.207 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000629389426 350687315 /nfs/dbraw/zinc/68/73/15/350687315.db2.gz XQAYCTGEJKIEEV-YYIAUSFCSA-N 2 1 276.399 3.192 20 0 CGADMP FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409831 350690094 /nfs/dbraw/zinc/69/00/94/350690094.db2.gz QCZPXNYSXIGAKA-KFWWJZLASA-N 2 1 298.352 3.293 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cc2c1 ZINC000629510015 350698764 /nfs/dbraw/zinc/69/87/64/350698764.db2.gz OHDCXDBFQBGOCI-GOEBONIOSA-N 2 1 283.419 3.102 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631107782 350956188 /nfs/dbraw/zinc/95/61/88/350956188.db2.gz GMKNVEDCSRBKMO-UHFFFAOYSA-N 2 1 298.352 3.143 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631109082 350956504 /nfs/dbraw/zinc/95/65/04/350956504.db2.gz ZGPINACUJHVDCQ-UHFFFAOYSA-N 2 1 284.378 3.330 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631566674 351069130 /nfs/dbraw/zinc/06/91/30/351069130.db2.gz RPRKOVUQIFMQMN-GOSISDBHSA-N 2 1 287.451 3.169 20 0 CGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000631579373 351075140 /nfs/dbraw/zinc/07/51/40/351075140.db2.gz FIRGYBLBQRPTJG-HZPDHXFCSA-N 2 1 299.462 3.420 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)c2ccccc21 ZINC000635003131 351621762 /nfs/dbraw/zinc/62/17/62/351621762.db2.gz GMKISBMHMZEZOU-RDGPPVDQSA-N 2 1 294.398 3.251 20 0 CGADMP CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122358600 187028715 /nfs/dbraw/zinc/02/87/15/187028715.db2.gz NVPSLNIIHJZUKM-ZIAGYGMSSA-N 2 1 287.407 3.256 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)oc3ccccc32)C1 ZINC000123571043 187099402 /nfs/dbraw/zinc/09/94/02/187099402.db2.gz TXBRFHQFWQVPDB-AWEZNQCLSA-N 2 1 272.392 3.173 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000271500636 191176286 /nfs/dbraw/zinc/17/62/86/191176286.db2.gz LUTLZLULTOXEEN-OWQGQXMQSA-N 2 1 299.418 3.135 20 0 CGADMP C[C@@H]1[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1c1ccccc1 ZINC000364115347 234020717 /nfs/dbraw/zinc/02/07/17/234020717.db2.gz YTASSFIRSYVLLF-JCGIZDLHSA-N 2 1 270.420 3.030 20 0 CGADMP COc1ccccc1[C@@H](C)NCc1cnc2n1CCCC2 ZINC000367439490 234215365 /nfs/dbraw/zinc/21/53/65/234215365.db2.gz UYLFHSCCIATDPB-CYBMUJFWSA-N 2 1 285.391 3.079 20 0 CGADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000085400576 535205320 /nfs/dbraw/zinc/20/53/20/535205320.db2.gz RMYWCOAMDHNTRY-IAGOWNOFSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)CC[N@@H+]1C ZINC000336447121 213312490 /nfs/dbraw/zinc/31/24/90/213312490.db2.gz GAYUJYUMWVRYMT-BLLLJJGKSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccc(F)cc3[nH]2)CC[N@H+]1C ZINC000336447121 213312492 /nfs/dbraw/zinc/31/24/92/213312492.db2.gz GAYUJYUMWVRYMT-BLLLJJGKSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC[NH+]1C ZINC000336447121 213312493 /nfs/dbraw/zinc/31/24/93/213312493.db2.gz GAYUJYUMWVRYMT-BLLLJJGKSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC[NH+]1C ZINC000336447121 213312496 /nfs/dbraw/zinc/31/24/96/213312496.db2.gz GAYUJYUMWVRYMT-BLLLJJGKSA-N 2 1 289.398 3.222 20 0 CGADMP Fc1cccc(F)c1C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261776048 283014523 /nfs/dbraw/zinc/01/45/23/283014523.db2.gz FCVCBWCFHWXCHW-CYBMUJFWSA-N 2 1 294.389 3.144 20 0 CGADMP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411339732 235049555 /nfs/dbraw/zinc/04/95/55/235049555.db2.gz ZBDUZUJWCZPOAM-BZSNNMDCSA-N 2 1 299.393 3.351 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000271831533 191353166 /nfs/dbraw/zinc/35/31/66/191353166.db2.gz DYDDRKGTLLWJQS-LBPRGKRZSA-N 2 1 264.800 3.253 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@H]3C[C@H]3C)CCCC2)CC1 ZINC000414129514 235342856 /nfs/dbraw/zinc/34/28/56/235342856.db2.gz VBNDYEMHGBUVTG-INMHGKMJSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172669 235353990 /nfs/dbraw/zinc/35/39/90/235353990.db2.gz DZRZSDQSKHJTEI-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414194242 235361200 /nfs/dbraw/zinc/36/12/00/235361200.db2.gz UNPQVBQVPWEJFR-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414169615 235353011 /nfs/dbraw/zinc/35/30/11/235353011.db2.gz BDCAMKATJRHRSI-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414201913 235363024 /nfs/dbraw/zinc/36/30/24/235363024.db2.gz YIYNZRZQOVEGMC-QWHCGFSZSA-N 2 1 282.453 3.139 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000417308123 235620339 /nfs/dbraw/zinc/62/03/39/235620339.db2.gz FIUDYPWDXKHVOE-AALSBFMBSA-N 2 1 290.476 3.457 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000417308123 235620341 /nfs/dbraw/zinc/62/03/41/235620341.db2.gz FIUDYPWDXKHVOE-AALSBFMBSA-N 2 1 290.476 3.457 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000091284532 138343976 /nfs/dbraw/zinc/34/39/76/138343976.db2.gz YHJPERCRXFOVJS-UKRRQHHQSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCCC1 ZINC000089594449 138343132 /nfs/dbraw/zinc/34/31/32/138343132.db2.gz GVGIRXUTRYMGAM-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000124011320 138372164 /nfs/dbraw/zinc/37/21/64/138372164.db2.gz AYESLAYDALQAOK-HNNXBMFYSA-N 2 1 290.451 3.043 20 0 CGADMP CCC[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125263311 138380623 /nfs/dbraw/zinc/38/06/23/138380623.db2.gz CZKSBNRPDUCUFJ-MRXNPFEDSA-N 2 1 263.429 3.484 20 0 CGADMP CCC[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125263311 138380625 /nfs/dbraw/zinc/38/06/25/138380625.db2.gz CZKSBNRPDUCUFJ-MRXNPFEDSA-N 2 1 263.429 3.484 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000129113062 138395965 /nfs/dbraw/zinc/39/59/65/138395965.db2.gz SVMOYTNLMJEQOE-APHBMKBZSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000130129879 138399270 /nfs/dbraw/zinc/39/92/70/138399270.db2.gz FLPKOBRCHHZDPD-BFHYXJOUSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000130129879 138399271 /nfs/dbraw/zinc/39/92/71/138399271.db2.gz FLPKOBRCHHZDPD-BFHYXJOUSA-N 2 1 262.372 3.103 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423285812 236023071 /nfs/dbraw/zinc/02/30/71/236023071.db2.gz YTNXYZHTSPUUQM-KBMXLJTQSA-N 2 1 278.827 3.303 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423339463 236042789 /nfs/dbraw/zinc/04/27/89/236042789.db2.gz VDISDYXZXYFOOU-BLLLJJGKSA-N 2 1 298.377 3.328 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000423385044 236059123 /nfs/dbraw/zinc/05/91/23/236059123.db2.gz LKCVDVNZYIKVKC-NUJGCVRESA-N 2 1 299.393 3.170 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000423388169 236059848 /nfs/dbraw/zinc/05/98/48/236059848.db2.gz NDZDOWALYIRBKT-KURKYZTESA-N 2 1 299.393 3.170 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423450449 236074490 /nfs/dbraw/zinc/07/44/90/236074490.db2.gz SYJLCIGFYSDFIJ-DCAQKATOSA-N 2 1 290.329 3.014 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cnn1C(C)(C)C ZINC000423495679 236087127 /nfs/dbraw/zinc/08/71/27/236087127.db2.gz CLZMUOLCFRKFJC-BLLLJJGKSA-N 2 1 292.471 3.115 20 0 CGADMP CCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000262012375 283291405 /nfs/dbraw/zinc/29/14/05/283291405.db2.gz MJUSDEUJWHTQKC-SJLPKXTDSA-N 2 1 287.451 3.171 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[NH2+]C1CC1)CCCO2 ZINC000423520222 236092477 /nfs/dbraw/zinc/09/24/77/236092477.db2.gz DXSGMHMJEOCPNA-QGZVFWFLSA-N 2 1 288.435 3.249 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+]CCC[NH2+]C3CC3)oc21 ZINC000423532310 236093750 /nfs/dbraw/zinc/09/37/50/236093750.db2.gz VCPSIMMMAZRROK-LBPRGKRZSA-N 2 1 288.391 3.234 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc(C)n1 ZINC000423538998 236095331 /nfs/dbraw/zinc/09/53/31/236095331.db2.gz AQNPDNSHXCVBOL-OALUTQOASA-N 2 1 295.430 3.281 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424368056 236158480 /nfs/dbraw/zinc/15/84/80/236158480.db2.gz OUCXVDXHOWKNDD-ZIAGYGMSSA-N 2 1 252.789 3.008 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C/C=C\c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424386469 236158856 /nfs/dbraw/zinc/15/88/56/236158856.db2.gz XCWYMKFAWKVFDG-MPNWYJEXSA-N 2 1 288.410 3.303 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C/C=C\c1ccccc1)CC[NH2+]CC2 ZINC000424386138 236158873 /nfs/dbraw/zinc/15/88/73/236158873.db2.gz XAWNZRKVANVMBJ-KQQSKNTNSA-N 2 1 270.420 3.164 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1coc3ccccc13)CC[NH2+]CC2 ZINC000424385710 236159400 /nfs/dbraw/zinc/15/94/00/236159400.db2.gz WKTWWCGQCZCNKA-AWEZNQCLSA-N 2 1 284.403 3.397 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)c(F)c1)CC[NH2+]CC2 ZINC000424293737 236143502 /nfs/dbraw/zinc/14/35/02/236143502.db2.gz PVDRRLGNMHTWRD-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC24CC4)C3)cc1 ZINC000424321243 236148856 /nfs/dbraw/zinc/14/88/56/236148856.db2.gz JZCOKNKBNKZWON-XMTFNYHQSA-N 2 1 282.431 3.324 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000424328690 236150142 /nfs/dbraw/zinc/15/01/42/236150142.db2.gz FNIIRIMWKBYJJT-HUUCEWRRSA-N 2 1 289.810 3.248 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000424326833 236150553 /nfs/dbraw/zinc/15/05/53/236150553.db2.gz PIYSOCRNJPVFFE-XWTMOSNGSA-N 2 1 282.431 3.039 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C2CC2)CC[N@H+]1C ZINC000294509654 199066610 /nfs/dbraw/zinc/06/66/10/199066610.db2.gz YQRYGBYPDMDPGI-FHLIZLRMSA-N 2 1 272.436 3.253 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)oc2cc1C ZINC000427117606 236322995 /nfs/dbraw/zinc/32/29/95/236322995.db2.gz NKXXRRIUXUZVCB-YOEHRIQHSA-N 2 1 284.403 3.233 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)oc2cc1C ZINC000427117606 236322998 /nfs/dbraw/zinc/32/29/98/236322998.db2.gz NKXXRRIUXUZVCB-YOEHRIQHSA-N 2 1 284.403 3.233 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)CC[N@@H+]1C ZINC000181325092 291147664 /nfs/dbraw/zinc/14/76/64/291147664.db2.gz NLPPTFRIRYKGAN-WOSRLPQWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)CC[N@H+]1C ZINC000181325092 291147666 /nfs/dbraw/zinc/14/76/66/291147666.db2.gz NLPPTFRIRYKGAN-WOSRLPQWSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1cc(F)cc(F)c1 ZINC000294875000 199226112 /nfs/dbraw/zinc/22/61/12/199226112.db2.gz QJZLFLRBIRQLPB-KGLIPLIRSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875000 199226114 /nfs/dbraw/zinc/22/61/14/199226114.db2.gz QJZLFLRBIRQLPB-KGLIPLIRSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875000 199226115 /nfs/dbraw/zinc/22/61/15/199226115.db2.gz QJZLFLRBIRQLPB-KGLIPLIRSA-N 2 1 296.405 3.342 20 0 CGADMP Fc1cccc2[nH]c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc21 ZINC000436295745 237074300 /nfs/dbraw/zinc/07/43/00/237074300.db2.gz ZRRDMDXKJHPSCN-JSGCOSHPSA-N 2 1 287.382 3.023 20 0 CGADMP Fc1cccc2[nH]c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000436295745 237074304 /nfs/dbraw/zinc/07/43/04/237074304.db2.gz ZRRDMDXKJHPSCN-JSGCOSHPSA-N 2 1 287.382 3.023 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cn1 ZINC000274902737 192833086 /nfs/dbraw/zinc/83/30/86/192833086.db2.gz LOGJMGSLGLXTIJ-UBHSHLNASA-N 2 1 281.831 3.258 20 0 CGADMP Clc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000437171776 237257996 /nfs/dbraw/zinc/25/79/96/237257996.db2.gz MLTBDQBCXFPBDV-JTQLQIEISA-N 2 1 273.207 3.083 20 0 CGADMP c1ccc([C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000297426524 200186000 /nfs/dbraw/zinc/18/60/00/200186000.db2.gz MWAINPYZJFUAAD-LJQANCHMSA-N 2 1 284.447 3.397 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCc2cccc(Cl)c2)C1 ZINC000297426452 200186636 /nfs/dbraw/zinc/18/66/36/200186636.db2.gz MTZAIOXRFHTTKG-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCc2cccc(Cl)c2)C1 ZINC000297426452 200186637 /nfs/dbraw/zinc/18/66/37/200186637.db2.gz MTZAIOXRFHTTKG-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCc2cccc(Cl)c2)C1 ZINC000297426452 200186639 /nfs/dbraw/zinc/18/66/39/200186639.db2.gz MTZAIOXRFHTTKG-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000177243852 189039251 /nfs/dbraw/zinc/03/92/51/189039251.db2.gz GRYRPWCPJDBRMR-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CC2)c1 ZINC000177260986 189040498 /nfs/dbraw/zinc/04/04/98/189040498.db2.gz FSXSRZUXUHIJQQ-AWEZNQCLSA-N 2 1 260.425 3.415 20 0 CGADMP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000178012516 189085583 /nfs/dbraw/zinc/08/55/83/189085583.db2.gz PQEUQFFMVWYEET-MRXNPFEDSA-N 2 1 292.467 3.432 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3c(F)cccc3Cl)C[C@@H]21 ZINC000342081574 216213001 /nfs/dbraw/zinc/21/30/01/216213001.db2.gz HCXFERWIGMJXJI-PVXIVEMSSA-N 2 1 296.817 3.081 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000178702444 189139030 /nfs/dbraw/zinc/13/90/30/189139030.db2.gz IMAKNSDZYKPGEO-ZBFHGGJFSA-N 2 1 285.435 3.357 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000179678140 189213138 /nfs/dbraw/zinc/21/31/38/189213138.db2.gz VZYMNWLNAMRHCI-NEPJUHHUSA-N 2 1 293.361 3.457 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180757880 189273617 /nfs/dbraw/zinc/27/36/17/189273617.db2.gz BWVGSZDCCRRUEP-CVEARBPZSA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180757880 189273618 /nfs/dbraw/zinc/27/36/18/189273618.db2.gz BWVGSZDCCRRUEP-CVEARBPZSA-N 2 1 290.451 3.261 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccc(C)cc2)C1 ZINC000181954546 189310824 /nfs/dbraw/zinc/31/08/24/189310824.db2.gz XJVWNXLDGHBDLI-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccc(C)cc2)C1 ZINC000181954546 189310825 /nfs/dbraw/zinc/31/08/25/189310825.db2.gz XJVWNXLDGHBDLI-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC000181954546 189310826 /nfs/dbraw/zinc/31/08/26/189310826.db2.gz XJVWNXLDGHBDLI-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000181641602 189303224 /nfs/dbraw/zinc/30/32/24/189303224.db2.gz JVTZLZFOJBFNNC-AAEUAGOBSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000181641602 189303225 /nfs/dbraw/zinc/30/32/25/189303225.db2.gz JVTZLZFOJBFNNC-AAEUAGOBSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)[C@H]2CCCC[C@H]12 ZINC000182479710 189325785 /nfs/dbraw/zinc/32/57/85/189325785.db2.gz RHLWCCAHNBZBNF-OIISXLGYSA-N 2 1 296.418 3.278 20 0 CGADMP CC[N@H+](C)CCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301998816 201293508 /nfs/dbraw/zinc/29/35/08/201293508.db2.gz VABHQQOPNUBFJI-UHFFFAOYSA-N 2 1 263.772 3.252 20 0 CGADMP CC[N@@H+](C)CCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301998816 201293510 /nfs/dbraw/zinc/29/35/10/201293510.db2.gz VABHQQOPNUBFJI-UHFFFAOYSA-N 2 1 263.772 3.252 20 0 CGADMP Cc1ccc([C@H]([NH2+]CCC[NH+](C)C)C2CCCC2)o1 ZINC000342547469 216392589 /nfs/dbraw/zinc/39/25/89/216392589.db2.gz SZLRZLTYBZMXPJ-MRXNPFEDSA-N 2 1 264.413 3.361 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000451141001 240227126 /nfs/dbraw/zinc/22/71/26/240227126.db2.gz HASRJIOCFMTVND-UYAYXHRUSA-N 2 1 299.418 3.397 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCc1ccccc1C ZINC000451165099 240234172 /nfs/dbraw/zinc/23/41/72/240234172.db2.gz JHYFALMADBHUPS-UHFFFAOYSA-N 2 1 285.435 3.455 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCc1ccccc1C ZINC000451165099 240234173 /nfs/dbraw/zinc/23/41/73/240234173.db2.gz JHYFALMADBHUPS-UHFFFAOYSA-N 2 1 285.435 3.455 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000275493163 193058177 /nfs/dbraw/zinc/05/81/77/193058177.db2.gz JCRRMESJSHYUGX-CZUORRHYSA-N 2 1 287.382 3.326 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1 ZINC000275611459 193086352 /nfs/dbraw/zinc/08/63/52/193086352.db2.gz QYBBRXACVGSDAC-RYUDHWBXSA-N 2 1 291.345 3.075 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000459633660 242154674 /nfs/dbraw/zinc/15/46/74/242154674.db2.gz DPTNKFSUENGOBA-WMZOPIPTSA-N 2 1 289.467 3.257 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459727065 242194555 /nfs/dbraw/zinc/19/45/55/242194555.db2.gz CDJIVPOQOXXRJQ-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459762920 242217552 /nfs/dbraw/zinc/21/75/52/242217552.db2.gz LWIZQYPWHPSECV-CQSZACIVSA-N 2 1 289.398 3.284 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459762920 242217556 /nfs/dbraw/zinc/21/75/56/242217556.db2.gz LWIZQYPWHPSECV-CQSZACIVSA-N 2 1 289.398 3.284 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459762920 242217559 /nfs/dbraw/zinc/21/75/59/242217559.db2.gz LWIZQYPWHPSECV-CQSZACIVSA-N 2 1 289.398 3.284 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462392747 242340534 /nfs/dbraw/zinc/34/05/34/242340534.db2.gz HAXBCNKGQYHPIU-HXUWFJFHSA-N 2 1 294.442 3.458 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC=C(C)C)[C@@H](C)C1 ZINC000479298576 243096029 /nfs/dbraw/zinc/09/60/29/243096029.db2.gz FRFQYWRULNJDRR-DLBZAZTESA-N 2 1 282.472 3.069 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000479690059 243120698 /nfs/dbraw/zinc/12/06/98/243120698.db2.gz JXUBAILEAWXSSG-MRXNPFEDSA-N 2 1 274.452 3.248 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)c[nH]c21 ZINC000482884289 243249048 /nfs/dbraw/zinc/24/90/48/243249048.db2.gz BMIJSDNQWBWHMJ-KDOFPFPSSA-N 2 1 299.462 3.203 20 0 CGADMP C[N@H+](CC[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CCCC1 ZINC000482555224 243233943 /nfs/dbraw/zinc/23/39/43/243233943.db2.gz HWKKFDLSNNPROD-IBGZPJMESA-N 2 1 286.463 3.472 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CCCC1 ZINC000482555224 243233953 /nfs/dbraw/zinc/23/39/53/243233953.db2.gz HWKKFDLSNNPROD-IBGZPJMESA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000483843406 243302418 /nfs/dbraw/zinc/30/24/18/243302418.db2.gz VMNGNPYQJSBDRO-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000483262429 243270000 /nfs/dbraw/zinc/27/00/00/243270000.db2.gz AEQQTHBRPKKVPH-AWEZNQCLSA-N 2 1 278.415 3.392 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000484917729 243323894 /nfs/dbraw/zinc/32/38/94/243323894.db2.gz PZSXCNOJWNJIOF-QAPCUYQASA-N 2 1 282.431 3.442 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000484917730 243324178 /nfs/dbraw/zinc/32/41/78/243324178.db2.gz PZSXCNOJWNJIOF-YJBOKZPZSA-N 2 1 282.431 3.442 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@@H]1CC1(C)C ZINC000486965534 243389046 /nfs/dbraw/zinc/38/90/46/243389046.db2.gz JMUAGKKNPIMTME-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CCSC1)CC(C)C ZINC000486987632 243393682 /nfs/dbraw/zinc/39/36/82/243393682.db2.gz MRCCVSANPMXROB-GJZGRUSLSA-N 2 1 272.502 3.086 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000123576738 370913497 /nfs/dbraw/zinc/91/34/97/370913497.db2.gz OJMHYJDODHGVIT-MLGOLLRUSA-N 2 1 272.392 3.443 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000123576738 370913501 /nfs/dbraw/zinc/91/35/01/370913501.db2.gz OJMHYJDODHGVIT-MLGOLLRUSA-N 2 1 272.392 3.443 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccsc1 ZINC000019912969 368781275 /nfs/dbraw/zinc/78/12/75/368781275.db2.gz OZHJAMXBXXHGSD-ZDUSSCGKSA-N 2 1 252.427 3.102 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccsc1 ZINC000019912969 368781278 /nfs/dbraw/zinc/78/12/78/368781278.db2.gz OZHJAMXBXXHGSD-ZDUSSCGKSA-N 2 1 252.427 3.102 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000036935038 369039460 /nfs/dbraw/zinc/03/94/60/369039460.db2.gz WNPRGEBPRJVGMV-GFCCVEGCSA-N 2 1 298.377 3.423 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000037149937 369069581 /nfs/dbraw/zinc/06/95/81/369069581.db2.gz CBWRPVGEQMTMPA-UHFFFAOYSA-N 2 1 264.388 3.180 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000037267051 369079614 /nfs/dbraw/zinc/07/96/14/369079614.db2.gz XVKUBTQBOUYVOK-NSHDSACASA-N 2 1 286.341 3.450 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000041348954 369182468 /nfs/dbraw/zinc/18/24/68/369182468.db2.gz WUHSZZWLTJZBNU-UHFFFAOYSA-N 2 1 260.425 3.385 20 0 CGADMP Cc1ccc(C)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000042319282 369213381 /nfs/dbraw/zinc/21/33/81/369213381.db2.gz JOXKOWUPBJTVCH-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CC2CCCCC2)CC1 ZINC000494530441 244297005 /nfs/dbraw/zinc/29/70/05/244297005.db2.gz PIZVIKYRIHWMFT-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)CC2CCCCC2)CC1 ZINC000494459961 244291955 /nfs/dbraw/zinc/29/19/55/244291955.db2.gz ZFXXNSAGNPFKSJ-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cncc(F)c2)C1 ZINC000494611196 244303800 /nfs/dbraw/zinc/30/38/00/244303800.db2.gz AUFPQZSGSJEUNI-GASCZTMLSA-N 2 1 293.430 3.068 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2cc[nH]c21 ZINC000276138263 193223150 /nfs/dbraw/zinc/22/31/50/193223150.db2.gz MVKBXLGDQYGHRB-UHFFFAOYSA-N 2 1 271.408 3.086 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128012570 370958160 /nfs/dbraw/zinc/95/81/60/370958160.db2.gz OLEPUPMWEUYMOK-KLHDSHLOSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nc(C(C)(C)C)cs1 ZINC000422861618 296147861 /nfs/dbraw/zinc/14/78/61/296147861.db2.gz ORDVEYBLJPTHAP-GARJFASQSA-N 2 1 269.458 3.217 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000414110704 296149371 /nfs/dbraw/zinc/14/93/71/296149371.db2.gz OLZPIANWKMJYQD-GAGVYUBLSA-N 2 1 264.457 3.274 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000072630358 369830449 /nfs/dbraw/zinc/83/04/49/369830449.db2.gz QFNIVWLPYCHJFQ-UHFFFAOYSA-N 2 1 289.467 3.059 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000072630358 369830453 /nfs/dbraw/zinc/83/04/53/369830453.db2.gz QFNIVWLPYCHJFQ-UHFFFAOYSA-N 2 1 289.467 3.059 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ccccc3n2)C1 ZINC000072861029 369841346 /nfs/dbraw/zinc/84/13/46/369841346.db2.gz PQOVQEKFHAYEGL-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ccccc3n2)C1 ZINC000072861029 369841350 /nfs/dbraw/zinc/84/13/50/369841350.db2.gz PQOVQEKFHAYEGL-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000072861029 369841352 /nfs/dbraw/zinc/84/13/52/369841352.db2.gz PQOVQEKFHAYEGL-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000072861029 369841354 /nfs/dbraw/zinc/84/13/54/369841354.db2.gz PQOVQEKFHAYEGL-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000070169527 369786092 /nfs/dbraw/zinc/78/60/92/369786092.db2.gz SSWDRLJEQOZHKD-HZPDHXFCSA-N 2 1 260.425 3.241 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169640 369786101 /nfs/dbraw/zinc/78/61/01/369786101.db2.gz BTRKZSXMTTZJCN-QWHCGFSZSA-N 2 1 298.377 3.410 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCCC1 ZINC000089559536 370043538 /nfs/dbraw/zinc/04/35/38/370043538.db2.gz GTOPXTVRNGLLFN-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000092066974 370093424 /nfs/dbraw/zinc/09/34/24/370093424.db2.gz LMUDJWKSVDRFNX-ZBFHGGJFSA-N 2 1 276.449 3.197 20 0 CGADMP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000092066974 370093430 /nfs/dbraw/zinc/09/34/30/370093430.db2.gz LMUDJWKSVDRFNX-ZBFHGGJFSA-N 2 1 276.449 3.197 20 0 CGADMP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000092066974 370093434 /nfs/dbraw/zinc/09/34/34/370093434.db2.gz LMUDJWKSVDRFNX-ZBFHGGJFSA-N 2 1 276.449 3.197 20 0 CGADMP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000092066974 370093439 /nfs/dbraw/zinc/09/34/39/370093439.db2.gz LMUDJWKSVDRFNX-ZBFHGGJFSA-N 2 1 276.449 3.197 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277078077 193548329 /nfs/dbraw/zinc/54/83/29/193548329.db2.gz FEADWSIMUACVGT-KRWDZBQOSA-N 2 1 260.425 3.165 20 0 CGADMP CC[NH+](C/C=C/C[N@H+](CC)CC1CC1)CC1CC1 ZINC000112983205 370459235 /nfs/dbraw/zinc/45/92/35/370459235.db2.gz CCPGDDGWJFMVJA-AATRIKPKSA-N 2 1 250.430 3.006 20 0 CGADMP C[NH+](C)CC(C)(C)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000513650082 245087679 /nfs/dbraw/zinc/08/76/79/245087679.db2.gz JDDGZRXZFMTVGK-UHFFFAOYSA-N 2 1 291.826 3.310 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000514081154 245105832 /nfs/dbraw/zinc/10/58/32/245105832.db2.gz AYFISSVVPYUSEG-VDHUWJSZSA-N 2 1 272.436 3.253 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105374 245109034 /nfs/dbraw/zinc/10/90/34/245109034.db2.gz QYCDXNHFWWAXMS-ZIAGYGMSSA-N 2 1 296.405 3.217 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000116998817 370576336 /nfs/dbraw/zinc/57/63/36/370576336.db2.gz YLUZCFQNYNBUFD-GOSISDBHSA-N 2 1 266.388 3.277 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000116998817 370576341 /nfs/dbraw/zinc/57/63/41/370576341.db2.gz YLUZCFQNYNBUFD-GOSISDBHSA-N 2 1 266.388 3.277 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCn2ccc3ccccc32)CC[N@H+]1C ZINC000129636747 370996451 /nfs/dbraw/zinc/99/64/51/370996451.db2.gz SJSXFXDNGBKKHI-WBVHZDCISA-N 2 1 285.435 3.104 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130204229 371018762 /nfs/dbraw/zinc/01/87/62/371018762.db2.gz CNLLVMOEPBHVHG-BZUAXINKSA-N 2 1 258.409 3.272 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131518627 371114064 /nfs/dbraw/zinc/11/40/64/371114064.db2.gz VHLCRHGEHOBKKL-YIONKMFJSA-N 2 1 280.362 3.339 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000132928355 371212612 /nfs/dbraw/zinc/21/26/12/371212612.db2.gz ACROPMGLQVIQFU-OAHLLOKOSA-N 2 1 272.436 3.082 20 0 CGADMP Cc1ccncc1CNCCC[N@H+](C)Cc1ccccc1 ZINC000135430783 371426304 /nfs/dbraw/zinc/42/63/04/371426304.db2.gz BEMUXNSUGOXZEE-UHFFFAOYSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccncc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000135430783 371426307 /nfs/dbraw/zinc/42/63/07/371426307.db2.gz BEMUXNSUGOXZEE-UHFFFAOYSA-N 2 1 283.419 3.002 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344029878 217018043 /nfs/dbraw/zinc/01/80/43/217018043.db2.gz CPOCRGWIMUXUPN-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419107 371694314 /nfs/dbraw/zinc/69/43/14/371694314.db2.gz WZIPCUWQPSDSFP-MNOVXSKESA-N 2 1 298.352 3.239 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419107 371694319 /nfs/dbraw/zinc/69/43/19/371694319.db2.gz WZIPCUWQPSDSFP-MNOVXSKESA-N 2 1 298.352 3.239 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000422698515 371756272 /nfs/dbraw/zinc/75/62/72/371756272.db2.gz ZPKZEUOZIIQJKS-FKJOKYEKSA-N 2 1 264.800 3.274 20 0 CGADMP C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422716486 371766126 /nfs/dbraw/zinc/76/61/26/371766126.db2.gz NHHKWFZVEXVZMG-COXVUDFISA-N 2 1 258.409 3.258 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000153417169 371766780 /nfs/dbraw/zinc/76/67/80/371766780.db2.gz OJXFEOOOTCECBL-SQNIBIBYSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000153537949 371773817 /nfs/dbraw/zinc/77/38/17/371773817.db2.gz HAEPZZDHKROVLJ-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422734214 371774729 /nfs/dbraw/zinc/77/47/29/371774729.db2.gz SKFJJDDHVBPNFN-DOMZBBRYSA-N 2 1 280.843 3.348 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000422755065 371787234 /nfs/dbraw/zinc/78/72/34/371787234.db2.gz FJEUSEPSRJMBMT-SWLSCSKDSA-N 2 1 268.351 3.148 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422824144 371831600 /nfs/dbraw/zinc/83/16/00/371831600.db2.gz NDRZSZWPCMWTAG-DOMZBBRYSA-N 2 1 280.843 3.348 20 0 CGADMP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422771879 371796268 /nfs/dbraw/zinc/79/62/68/371796268.db2.gz RUUPOFQKAKEIMK-DOMZBBRYSA-N 2 1 278.827 3.102 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422780593 371802724 /nfs/dbraw/zinc/80/27/24/371802724.db2.gz KNMPHNMHCLKYMC-AWEZNQCLSA-N 2 1 283.419 3.431 20 0 CGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422782025 371804394 /nfs/dbraw/zinc/80/43/94/371804394.db2.gz MLRIKSRIHVCZFC-QMTHXVAHSA-N 2 1 270.779 3.086 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000337380380 214040239 /nfs/dbraw/zinc/04/02/39/214040239.db2.gz ALLWGKSIWYAVEY-GXTWGEPZSA-N 2 1 274.399 3.132 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422799269 371815386 /nfs/dbraw/zinc/81/53/86/371815386.db2.gz VZWGVEQVMSTMND-KBPBESRZSA-N 2 1 286.341 3.455 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422802222 371819230 /nfs/dbraw/zinc/81/92/30/371819230.db2.gz CZKSSWGDNWOGIK-KGLIPLIRSA-N 2 1 282.428 3.297 20 0 CGADMP CCCCOc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422893495 371857245 /nfs/dbraw/zinc/85/72/45/371857245.db2.gz AADLHUBCWOYMEL-YJBOKZPZSA-N 2 1 290.451 3.138 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1c[nH+]ccc1N ZINC000422902680 371861367 /nfs/dbraw/zinc/86/13/67/371861367.db2.gz UYBZWGHMEURWEH-LBPRGKRZSA-N 2 1 285.366 3.016 20 0 CGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000154886851 371886135 /nfs/dbraw/zinc/88/61/35/371886135.db2.gz IXXNCBHAARXAQF-GOSISDBHSA-N 2 1 290.451 3.041 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422933463 371877669 /nfs/dbraw/zinc/87/76/69/371877669.db2.gz HTKLFEJSDXVYNH-UONOGXRCSA-N 2 1 297.240 3.199 20 0 CGADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423063989 371940754 /nfs/dbraw/zinc/94/07/54/371940754.db2.gz QHHJDYTXQAXITF-CWRNSKLLSA-N 2 1 296.817 3.489 20 0 CGADMP C[C@H]([NH2+]CCCc1cccc(Cl)c1)c1c[nH+]ccc1N ZINC000422950798 371889114 /nfs/dbraw/zinc/88/91/14/371889114.db2.gz YZJRMJWFRUBUEQ-LBPRGKRZSA-N 2 1 289.810 3.431 20 0 CGADMP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000422967956 371895125 /nfs/dbraw/zinc/89/51/25/371895125.db2.gz PYAGPJLRBSKZMO-LRVUVFPRSA-N 2 1 267.376 3.091 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290337092 371966443 /nfs/dbraw/zinc/96/64/43/371966443.db2.gz FENYCGOTPVOWGC-RMLGOWPTSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290337092 371966453 /nfs/dbraw/zinc/96/64/53/371966453.db2.gz FENYCGOTPVOWGC-RMLGOWPTSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290337092 371966455 /nfs/dbraw/zinc/96/64/55/371966455.db2.gz FENYCGOTPVOWGC-RMLGOWPTSA-N 2 1 276.399 3.111 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000290373816 371973955 /nfs/dbraw/zinc/97/39/55/371973955.db2.gz HQAQVDBAWKSKSM-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000290373816 371973961 /nfs/dbraw/zinc/97/39/61/371973961.db2.gz HQAQVDBAWKSKSM-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC000290373816 371973965 /nfs/dbraw/zinc/97/39/65/371973965.db2.gz HQAQVDBAWKSKSM-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC000290373816 371973972 /nfs/dbraw/zinc/97/39/72/371973972.db2.gz HQAQVDBAWKSKSM-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)CC[N@H+]1C ZINC000156338836 371975160 /nfs/dbraw/zinc/97/51/60/371975160.db2.gz RJYCANXSTSHNOS-STQMWFEESA-N 2 1 266.454 3.098 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCCC[NH2+]1 ZINC000423129100 371981388 /nfs/dbraw/zinc/98/13/88/371981388.db2.gz WTNZCQHDBAOFAM-VDHUWJSZSA-N 2 1 288.435 3.027 20 0 CGADMP COc1cc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000423139613 371987296 /nfs/dbraw/zinc/98/72/96/371987296.db2.gz VWPOZFPYRDCXDC-SWLSCSKDSA-N 2 1 296.842 3.011 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000290480775 371998828 /nfs/dbraw/zinc/99/88/28/371998828.db2.gz NZKBEOVCWCAAFG-CQSZACIVSA-N 2 1 294.389 3.129 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000423073065 371947386 /nfs/dbraw/zinc/94/73/86/371947386.db2.gz KKSOAQSSMNXYFD-SPUZQDLCSA-N 2 1 272.436 3.300 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423190129 372017200 /nfs/dbraw/zinc/01/72/00/372017200.db2.gz RTUJJYVUWFWCHC-ZDUSSCGKSA-N 2 1 274.330 3.341 20 0 CGADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[NH2+]C1 ZINC000423204463 372028916 /nfs/dbraw/zinc/02/89/16/372028916.db2.gz AWJSQZQNLTXOKS-KBPBESRZSA-N 2 1 285.435 3.176 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000423206946 372030095 /nfs/dbraw/zinc/03/00/95/372030095.db2.gz XIRKGDZETJZRGF-GFCCVEGCSA-N 2 1 276.380 3.010 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3C)CC2)[C@H](C)C1 ZINC000157651167 372031113 /nfs/dbraw/zinc/03/11/13/372031113.db2.gz DULSMDONJXPCEH-AEFFLSMTSA-N 2 1 286.463 3.347 20 0 CGADMP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000423219244 372038799 /nfs/dbraw/zinc/03/87/99/372038799.db2.gz VYIMROSNLQHQPG-YUELXQCFSA-N 2 1 298.352 3.293 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423345354 372053918 /nfs/dbraw/zinc/05/39/18/372053918.db2.gz YVQNVDKIGRMNTN-WBVHZDCISA-N 2 1 292.398 3.019 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C2CC2)cc1 ZINC000423363107 372055138 /nfs/dbraw/zinc/05/51/38/372055138.db2.gz AKVLDPJTQRACMC-QGTPRVQTSA-N 2 1 272.436 3.046 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000158180907 372057207 /nfs/dbraw/zinc/05/72/07/372057207.db2.gz RGJVYERGSRAJMI-OLZOCXBDSA-N 2 1 293.480 3.014 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000158180907 372057211 /nfs/dbraw/zinc/05/72/11/372057211.db2.gz RGJVYERGSRAJMI-OLZOCXBDSA-N 2 1 293.480 3.014 20 0 CGADMP CC(C)[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423180718 372009191 /nfs/dbraw/zinc/00/91/91/372009191.db2.gz IOWRFGPKWDGHCH-HNNXBMFYSA-N 2 1 268.351 3.004 20 0 CGADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184483 372012716 /nfs/dbraw/zinc/01/27/16/372012716.db2.gz IDJLPCKBMKCFBE-HNAYVOBHSA-N 2 1 295.430 3.084 20 0 CGADMP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423548626 372072867 /nfs/dbraw/zinc/07/28/67/372072867.db2.gz GXNXQILIMZFAJR-OAHLLOKOSA-N 2 1 294.826 3.285 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4ccccc4c3)C2)C1 ZINC000428990334 372298286 /nfs/dbraw/zinc/29/82/86/372298286.db2.gz FSCSWHPAVSMYJO-IBGZPJMESA-N 2 1 280.415 3.367 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000428990334 372298294 /nfs/dbraw/zinc/29/82/94/372298294.db2.gz FSCSWHPAVSMYJO-IBGZPJMESA-N 2 1 280.415 3.367 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000428990334 372298300 /nfs/dbraw/zinc/29/83/00/372298300.db2.gz FSCSWHPAVSMYJO-IBGZPJMESA-N 2 1 280.415 3.367 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4cccnc43)C2)C1 ZINC000292971958 372264612 /nfs/dbraw/zinc/26/46/12/372264612.db2.gz MKIIVGPSJWHQKF-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4cccnc43)C2)C1 ZINC000292971958 372264622 /nfs/dbraw/zinc/26/46/22/372264622.db2.gz MKIIVGPSJWHQKF-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4cccnc43)C2)C1 ZINC000292971958 372264629 /nfs/dbraw/zinc/26/46/29/372264629.db2.gz MKIIVGPSJWHQKF-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428865277 372273069 /nfs/dbraw/zinc/27/30/69/372273069.db2.gz VVLWBDLNFBLUDG-VIFPVBQESA-N 2 1 280.359 3.197 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+](C1CCC1)C1CCC1 ZINC000429182625 372320595 /nfs/dbraw/zinc/32/05/95/372320595.db2.gz CUSHHOXNVJSVTM-UHFFFAOYSA-N 2 1 261.413 3.379 20 0 CGADMP Cc1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)s1 ZINC000161590338 372337804 /nfs/dbraw/zinc/33/78/04/372337804.db2.gz HHCSZPZVYFTWLP-UHFFFAOYSA-N 2 1 277.437 3.474 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)s1 ZINC000161590338 372337811 /nfs/dbraw/zinc/33/78/11/372337811.db2.gz HHCSZPZVYFTWLP-UHFFFAOYSA-N 2 1 277.437 3.474 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC000162111541 372374794 /nfs/dbraw/zinc/37/47/94/372374794.db2.gz CKUXTHJMXFFYMQ-NUJGCVRESA-N 2 1 274.452 3.418 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000162687231 372409458 /nfs/dbraw/zinc/40/94/58/372409458.db2.gz SDSRTYHPJIEFGF-AWEZNQCLSA-N 2 1 275.421 3.480 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000162687231 372409470 /nfs/dbraw/zinc/40/94/70/372409470.db2.gz SDSRTYHPJIEFGF-AWEZNQCLSA-N 2 1 275.421 3.480 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2sccc2C1 ZINC000162727163 372413853 /nfs/dbraw/zinc/41/38/53/372413853.db2.gz YVAUMZUYVVBLCL-UHFFFAOYSA-N 2 1 275.421 3.092 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2sccc2C1 ZINC000162727163 372413860 /nfs/dbraw/zinc/41/38/60/372413860.db2.gz YVAUMZUYVVBLCL-UHFFFAOYSA-N 2 1 275.421 3.092 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000293575985 372415071 /nfs/dbraw/zinc/41/50/71/372415071.db2.gz HIQMKWUVTSGWBO-YJBOKZPZSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000293575985 372415075 /nfs/dbraw/zinc/41/50/75/372415075.db2.gz HIQMKWUVTSGWBO-YJBOKZPZSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000293575985 372415078 /nfs/dbraw/zinc/41/50/78/372415078.db2.gz HIQMKWUVTSGWBO-YJBOKZPZSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429435113 372366766 /nfs/dbraw/zinc/36/67/66/372366766.db2.gz IYARMDBUNSBNJF-DVOMOZLQSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000163474593 372473257 /nfs/dbraw/zinc/47/32/57/372473257.db2.gz WKWAESJTNIHCIG-FRRDWIJNSA-N 2 1 278.362 3.324 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000162918147 372435395 /nfs/dbraw/zinc/43/53/95/372435395.db2.gz QXQWGKJUTRKGSC-DOTOQJQBSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000162918147 372435402 /nfs/dbraw/zinc/43/54/02/372435402.db2.gz QXQWGKJUTRKGSC-DOTOQJQBSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000162918147 372435406 /nfs/dbraw/zinc/43/54/06/372435406.db2.gz QXQWGKJUTRKGSC-DOTOQJQBSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C(C)C)cc1 ZINC000163026062 372442223 /nfs/dbraw/zinc/44/22/23/372442223.db2.gz ALMHIQGJDRQQKC-UWWQBHOKSA-N 2 1 290.451 3.465 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C(C)C)cc1 ZINC000163026062 372442234 /nfs/dbraw/zinc/44/22/34/372442234.db2.gz ALMHIQGJDRQQKC-UWWQBHOKSA-N 2 1 290.451 3.465 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000163189318 372452071 /nfs/dbraw/zinc/45/20/71/372452071.db2.gz URUBGKJTFUYNEN-CXAGYDPISA-N 2 1 254.377 3.009 20 0 CGADMP CO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000293701908 372456200 /nfs/dbraw/zinc/45/62/00/372456200.db2.gz MELSRVWYNWOXJB-FZKQIMNGSA-N 2 1 299.418 3.256 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)o1 ZINC000165343509 372549749 /nfs/dbraw/zinc/54/97/49/372549749.db2.gz UWDSXGQEILGUQM-ZIAGYGMSSA-N 2 1 264.413 3.225 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000166185103 372565628 /nfs/dbraw/zinc/56/56/28/372565628.db2.gz YTHORQVSEZFYIM-YPMHNXCESA-N 2 1 266.454 3.215 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000166185229 372565972 /nfs/dbraw/zinc/56/59/72/372565972.db2.gz YTHORQVSEZFYIM-AAEUAGOBSA-N 2 1 266.454 3.215 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432415343 372567899 /nfs/dbraw/zinc/56/78/99/372567899.db2.gz CGGREPFDSPUUBV-KSZLIROESA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432415343 372567910 /nfs/dbraw/zinc/56/79/10/372567910.db2.gz CGGREPFDSPUUBV-KSZLIROESA-N 2 1 296.499 3.436 20 0 CGADMP CCC[C@H](C)C[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000344524036 217221364 /nfs/dbraw/zinc/22/13/64/217221364.db2.gz LNZRNAGBLFJIEO-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1ccccc1Cl ZINC000435002189 372723691 /nfs/dbraw/zinc/72/36/91/372723691.db2.gz ANRKHIHCUKDPCN-CVEARBPZSA-N 2 1 292.854 3.441 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435432481 372762158 /nfs/dbraw/zinc/76/21/58/372762158.db2.gz NKVCVGILAMJPJD-ABCZVMIZSA-N 2 1 280.362 3.052 20 0 CGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1Cl ZINC000295976049 372981216 /nfs/dbraw/zinc/98/12/16/372981216.db2.gz OIEPICFAEBFSNT-ODWCKFRGSA-N 2 1 279.815 3.011 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC000296084052 373017482 /nfs/dbraw/zinc/01/74/82/373017482.db2.gz STGYWIMVVKNCGE-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000353545380 220148565 /nfs/dbraw/zinc/14/85/65/220148565.db2.gz SPSOOPYJVBBHBR-KRWDZBQOSA-N 2 1 293.430 3.383 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C)c1F ZINC000296166994 373042826 /nfs/dbraw/zinc/04/28/26/373042826.db2.gz WYPOAMCJCDLQQM-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C)c1F ZINC000296166994 373042831 /nfs/dbraw/zinc/04/28/31/373042831.db2.gz WYPOAMCJCDLQQM-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000442920596 373127199 /nfs/dbraw/zinc/12/71/99/373127199.db2.gz HDMHGIPNJXKQEW-HZPDHXFCSA-N 2 1 260.425 3.241 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444604920 373211559 /nfs/dbraw/zinc/21/15/59/373211559.db2.gz CGJOWIOZQZKNIG-HNNXBMFYSA-N 2 1 275.440 3.171 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[N@H+]1C ZINC000297195829 373261236 /nfs/dbraw/zinc/26/12/36/373261236.db2.gz FRZMEGDAQSANGC-XTQGRXLLSA-N 2 1 294.389 3.415 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](CC1CCC1)C(C)C ZINC000444773288 373270130 /nfs/dbraw/zinc/27/01/30/373270130.db2.gz QYXCTHPOCKOFQO-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC1CCC1)C(C)C ZINC000444773288 373270133 /nfs/dbraw/zinc/27/01/33/373270133.db2.gz QYXCTHPOCKOFQO-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000174315949 373290664 /nfs/dbraw/zinc/29/06/64/373290664.db2.gz GUBFQSNTIZARNP-MWDXBVQZSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000445207248 373296648 /nfs/dbraw/zinc/29/66/48/373296648.db2.gz IZHDMUHZOXCRLJ-XJKSGUPXSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCc1ccc(Cl)cc1 ZINC000445207248 373296655 /nfs/dbraw/zinc/29/66/55/373296655.db2.gz IZHDMUHZOXCRLJ-XJKSGUPXSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCc1ccc(Cl)cc1 ZINC000445207248 373296660 /nfs/dbraw/zinc/29/66/60/373296660.db2.gz IZHDMUHZOXCRLJ-XJKSGUPXSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCc1ccc(Cl)cc1 ZINC000445207248 373296665 /nfs/dbraw/zinc/29/66/65/373296665.db2.gz IZHDMUHZOXCRLJ-XJKSGUPXSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000445207248 373296670 /nfs/dbraw/zinc/29/66/70/373296670.db2.gz IZHDMUHZOXCRLJ-XJKSGUPXSA-N 2 1 280.843 3.155 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C4CCC4)cc3)C2)C1 ZINC000353590199 220175989 /nfs/dbraw/zinc/17/59/89/220175989.db2.gz IRQUHBZVAWQLTD-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C4CCC4)cc3)C2)C1 ZINC000353590199 220175990 /nfs/dbraw/zinc/17/59/90/220175990.db2.gz IRQUHBZVAWQLTD-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)C1 ZINC000353590199 220175993 /nfs/dbraw/zinc/17/59/93/220175993.db2.gz IRQUHBZVAWQLTD-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300420731 373634143 /nfs/dbraw/zinc/63/41/43/373634143.db2.gz RTRBEQAHMHFMDQ-QWHCGFSZSA-N 2 1 280.378 3.427 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCCC1(C)C ZINC000178708390 373806824 /nfs/dbraw/zinc/80/68/24/373806824.db2.gz GFYQOOYJZOKCSZ-ZFWWWQNUSA-N 2 1 263.429 3.386 20 0 CGADMP CC[N@H+]1CCCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000302143698 373823064 /nfs/dbraw/zinc/82/30/64/373823064.db2.gz GLONUKRUMSTOLL-UHFFFAOYSA-N 2 1 269.392 3.075 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179039404 373829536 /nfs/dbraw/zinc/82/95/36/373829536.db2.gz PDONRLKGWDIOOZ-ZDUSSCGKSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179039404 373829545 /nfs/dbraw/zinc/82/95/45/373829545.db2.gz PDONRLKGWDIOOZ-ZDUSSCGKSA-N 2 1 289.345 3.246 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179680158 373902924 /nfs/dbraw/zinc/90/29/24/373902924.db2.gz IOQHLKNPNBSEKG-OAHLLOKOSA-N 2 1 278.827 3.403 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179680158 373902932 /nfs/dbraw/zinc/90/29/32/373902932.db2.gz IOQHLKNPNBSEKG-OAHLLOKOSA-N 2 1 278.827 3.403 20 0 CGADMP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000302421695 373866076 /nfs/dbraw/zinc/86/60/76/373866076.db2.gz JPEPLXCPYFBJNM-KSSFIOAISA-N 2 1 281.403 3.322 20 0 CGADMP CCC[C@@H](C)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000179960023 373946361 /nfs/dbraw/zinc/94/63/61/373946361.db2.gz UVQMIQLBNXVSSC-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000302604858 373904536 /nfs/dbraw/zinc/90/45/36/373904536.db2.gz ZKNCEBKBCRHATB-QAPCUYQASA-N 2 1 281.403 3.465 20 0 CGADMP CCc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000450252464 374023520 /nfs/dbraw/zinc/02/35/20/374023520.db2.gz IGPMYXMXTUACSC-HZPDHXFCSA-N 2 1 295.430 3.258 20 0 CGADMP CCc1cc(NCc2cccc(C[N@H+](C)CC)c2)cc[nH+]1 ZINC000450271390 374033451 /nfs/dbraw/zinc/03/34/51/374033451.db2.gz XTADXHABARBUTQ-UHFFFAOYSA-N 2 1 283.419 3.130 20 0 CGADMP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450430456 374123108 /nfs/dbraw/zinc/12/31/08/374123108.db2.gz RVFFAKAKXINQGK-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000306056579 374125487 /nfs/dbraw/zinc/12/54/87/374125487.db2.gz RFADXWHPJDCYOU-ZDUSSCGKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000306056579 374125491 /nfs/dbraw/zinc/12/54/91/374125491.db2.gz RFADXWHPJDCYOU-ZDUSSCGKSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCC(F)(F)C1 ZINC000309823288 374199186 /nfs/dbraw/zinc/19/91/86/374199186.db2.gz GTYVFZAWBPWUBF-HNNXBMFYSA-N 2 1 282.378 3.273 20 0 CGADMP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000312043885 374268159 /nfs/dbraw/zinc/26/81/59/374268159.db2.gz TVCLYGIZWINEJF-TXEJJXNPSA-N 2 1 299.245 3.425 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000311236260 374237416 /nfs/dbraw/zinc/23/74/16/374237416.db2.gz WJSVOQPTKDAVTP-IIAWOOMASA-N 2 1 252.446 3.133 20 0 CGADMP c1cnc2c(c1)cccc2C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000316481018 374334818 /nfs/dbraw/zinc/33/48/18/374334818.db2.gz WUYRASWBJLSGAG-MSOLQXFVSA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000316481018 374334822 /nfs/dbraw/zinc/33/48/22/374334822.db2.gz WUYRASWBJLSGAG-MSOLQXFVSA-N 2 1 295.430 3.341 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCCC3)CC[N@@H+]1C ZINC000328222645 374364017 /nfs/dbraw/zinc/36/40/17/374364017.db2.gz APMTVNVKWHTXHD-QLFBSQMISA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCCC3)CC[N@H+]1C ZINC000328222645 374364021 /nfs/dbraw/zinc/36/40/21/374364021.db2.gz APMTVNVKWHTXHD-QLFBSQMISA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453332535 374425858 /nfs/dbraw/zinc/42/58/58/374425858.db2.gz AWZTZBQOYMSSHJ-HXONONMOSA-N 2 1 288.410 3.274 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H]1C1CC1)C1CC1 ZINC000453400364 374472789 /nfs/dbraw/zinc/47/27/89/374472789.db2.gz LUTGFILFNIXAKI-HOTGVXAUSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1C ZINC000453420963 374474531 /nfs/dbraw/zinc/47/45/31/374474531.db2.gz ZZALIJPQRHXMGI-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1C ZINC000453420959 374475181 /nfs/dbraw/zinc/47/51/81/374475181.db2.gz ZZALIJPQRHXMGI-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660105 541968798 /nfs/dbraw/zinc/96/87/98/541968798.db2.gz USCUIMAFKIARKM-NVXWUHKLSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660105 541968803 /nfs/dbraw/zinc/96/88/03/541968803.db2.gz USCUIMAFKIARKM-NVXWUHKLSA-N 2 1 287.451 3.313 20 0 CGADMP FC1(F)CCC(C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000459307932 374802496 /nfs/dbraw/zinc/80/24/96/374802496.db2.gz TUPWDCRREKIPQU-UHFFFAOYSA-N 2 1 286.410 3.372 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000186187225 374810152 /nfs/dbraw/zinc/81/01/52/374810152.db2.gz OZRCJDGEUUYADB-AGIUHOORSA-N 2 1 282.453 3.280 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459724968 374817567 /nfs/dbraw/zinc/81/75/67/374817567.db2.gz AVFRLAYVRBGRLM-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000459796021 374820552 /nfs/dbraw/zinc/82/05/52/374820552.db2.gz VXUXUHFOMKBCCW-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000459781822 374821226 /nfs/dbraw/zinc/82/12/26/374821226.db2.gz MOQQCBVCFZSSPQ-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000186796739 374920291 /nfs/dbraw/zinc/92/02/91/374920291.db2.gz QTFPHGHVVVUEEU-MORSLUCNSA-N 2 1 299.418 3.135 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC000334723307 375005910 /nfs/dbraw/zinc/00/59/10/375005910.db2.gz WHPAZVASUXUMDM-OAHLLOKOSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3CCC(F)(F)CC3)C2)C1 ZINC000334723307 375005914 /nfs/dbraw/zinc/00/59/14/375005914.db2.gz WHPAZVASUXUMDM-OAHLLOKOSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3CCC(F)(F)CC3)C2)C1 ZINC000334723307 375005919 /nfs/dbraw/zinc/00/59/19/375005919.db2.gz WHPAZVASUXUMDM-OAHLLOKOSA-N 2 1 286.410 3.230 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000474275076 375093026 /nfs/dbraw/zinc/09/30/26/375093026.db2.gz OFMMBWNELXRXDQ-AEFFLSMTSA-N 2 1 274.452 3.310 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000480620091 375160681 /nfs/dbraw/zinc/16/06/81/375160681.db2.gz ZSPZHTOYZDWIQE-VGWMRTNUSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000480620091 375160686 /nfs/dbraw/zinc/16/06/86/375160686.db2.gz ZSPZHTOYZDWIQE-VGWMRTNUSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000474473070 375113402 /nfs/dbraw/zinc/11/34/02/375113402.db2.gz JFOBEXZSGUVLSG-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000474473070 375113406 /nfs/dbraw/zinc/11/34/06/375113406.db2.gz JFOBEXZSGUVLSG-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCSC1 ZINC000487318411 375229078 /nfs/dbraw/zinc/22/90/78/375229078.db2.gz HVQRMHNBXIVUFE-IAGOWNOFSA-N 2 1 296.524 3.374 20 0 CGADMP CCCC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000488029691 375296110 /nfs/dbraw/zinc/29/61/10/375296110.db2.gz XIQIUNZGBGNVDQ-UHFFFAOYSA-N 2 1 266.351 3.135 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCCC(F)(F)C1)CC[NH2+]CC2 ZINC000335275783 375258106 /nfs/dbraw/zinc/25/81/06/375258106.db2.gz DFWIADPGLBRAHU-UONOGXRCSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccccc1OC1CCCC1)C[NH+](C)C ZINC000491592268 375334647 /nfs/dbraw/zinc/33/46/47/375334647.db2.gz SXWNGYCWEXTTLN-HNNXBMFYSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097814122 541995442 /nfs/dbraw/zinc/99/54/42/541995442.db2.gz JMBDAWYEHWCEIA-ZANUVAQNSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1(c2ccccc2)CC1 ZINC000189313403 375364541 /nfs/dbraw/zinc/36/45/41/375364541.db2.gz DHRHAKIZZPPZQZ-QGZVFWFLSA-N 2 1 272.436 3.134 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1(c2ccccc2)CC1 ZINC000189313403 375364549 /nfs/dbraw/zinc/36/45/49/375364549.db2.gz DHRHAKIZZPPZQZ-QGZVFWFLSA-N 2 1 272.436 3.134 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1(c2ccccc2)CC1 ZINC000189313403 375364557 /nfs/dbraw/zinc/36/45/57/375364557.db2.gz DHRHAKIZZPPZQZ-QGZVFWFLSA-N 2 1 272.436 3.134 20 0 CGADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cnn1C(C)C ZINC000191189224 375593315 /nfs/dbraw/zinc/59/33/15/375593315.db2.gz DZZKLHDGWKQBGE-CABCVRRESA-N 2 1 292.471 3.155 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000121045698 542015456 /nfs/dbraw/zinc/01/54/56/542015456.db2.gz PJDCYEWGTFYZDH-PIGZYNQJSA-N 2 1 292.373 3.026 20 0 CGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CC1 ZINC000122954703 542025345 /nfs/dbraw/zinc/02/53/45/542025345.db2.gz GGBXBQCLHPAEFU-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000124013162 542029205 /nfs/dbraw/zinc/02/92/05/542029205.db2.gz IKNMCIMMDZCGBM-KSSFIOAISA-N 2 1 270.420 3.097 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000507357180 375699187 /nfs/dbraw/zinc/69/91/87/375699187.db2.gz IDGSFPQWEZKNNY-AEFFLSMTSA-N 2 1 296.499 3.386 20 0 CGADMP Cc1c[nH+]ccc1NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000192487299 375756385 /nfs/dbraw/zinc/75/63/85/375756385.db2.gz MHPIIPOOAPGDKR-CYBMUJFWSA-N 2 1 287.432 3.310 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)cs1 ZINC000193085643 375824324 /nfs/dbraw/zinc/82/43/24/375824324.db2.gz BPKROFCAJNWKGB-SNVBAGLBSA-N 2 1 283.828 3.332 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000336804557 375955400 /nfs/dbraw/zinc/95/54/00/375955400.db2.gz FKAOLLVQKRHUCS-CVEARBPZSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000336804557 375955403 /nfs/dbraw/zinc/95/54/03/375955403.db2.gz FKAOLLVQKRHUCS-CVEARBPZSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000336804558 375956211 /nfs/dbraw/zinc/95/62/11/375956211.db2.gz FKAOLLVQKRHUCS-HOTGVXAUSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000336804558 375956221 /nfs/dbraw/zinc/95/62/21/375956221.db2.gz FKAOLLVQKRHUCS-HOTGVXAUSA-N 2 1 261.413 3.236 20 0 CGADMP C(CC[N@H+]1CC[C@H](C2CC2)C1)C[NH+]1CC[C@H](C2CC2)C1 ZINC000534278051 375967190 /nfs/dbraw/zinc/96/71/90/375967190.db2.gz WBLKICJHOUIKTP-ROUUACIJSA-N 2 1 276.468 3.230 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000193733530 375916200 /nfs/dbraw/zinc/91/62/00/375916200.db2.gz XKBTVZKAELWHOA-AWEZNQCLSA-N 2 1 266.816 3.080 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCc2ccccc21 ZINC000535051057 376017151 /nfs/dbraw/zinc/01/71/51/376017151.db2.gz UDQWKFUUKFCVII-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCc2ccccc21 ZINC000535051057 376017157 /nfs/dbraw/zinc/01/71/57/376017157.db2.gz UDQWKFUUKFCVII-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP Cc1ncsc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652128 376109948 /nfs/dbraw/zinc/10/99/48/376109948.db2.gz OKABTJUQIZFXRM-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1C ZINC000337194724 376129057 /nfs/dbraw/zinc/12/90/57/376129057.db2.gz AIZZTAQSPRBQTN-UHFFFAOYSA-N 2 1 260.425 3.221 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217509658 376174133 /nfs/dbraw/zinc/17/41/33/376174133.db2.gz BKDLLBGUXLKYRP-SWLSCSKDSA-N 2 1 266.816 3.462 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217522237 376174417 /nfs/dbraw/zinc/17/44/17/376174417.db2.gz GBOORGCJGUMORA-RYUDHWBXSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217522237 376174421 /nfs/dbraw/zinc/17/44/21/376174421.db2.gz GBOORGCJGUMORA-RYUDHWBXSA-N 2 1 252.789 3.072 20 0 CGADMP COc1cc(C)ccc1[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000221921823 376223106 /nfs/dbraw/zinc/22/31/06/376223106.db2.gz CZRRAJNOMXYMQH-HNNXBMFYSA-N 2 1 278.440 3.385 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221921823 376223114 /nfs/dbraw/zinc/22/31/14/376223114.db2.gz CZRRAJNOMXYMQH-HNNXBMFYSA-N 2 1 278.440 3.385 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221921823 376223123 /nfs/dbraw/zinc/22/31/23/376223123.db2.gz CZRRAJNOMXYMQH-HNNXBMFYSA-N 2 1 278.440 3.385 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1cc(F)ccc1F ZINC000221911044 376224165 /nfs/dbraw/zinc/22/41/65/376224165.db2.gz CBDHOPYOQNIRQJ-LBPRGKRZSA-N 2 1 270.367 3.346 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000539069504 376291962 /nfs/dbraw/zinc/29/19/62/376291962.db2.gz IHZRDAAZDNNSIM-KXBFYZLASA-N 2 1 282.431 3.312 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000227103174 376382755 /nfs/dbraw/zinc/38/27/55/376382755.db2.gz RHIOPFJETOSISA-TVFCKZIOSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC000541317339 376437184 /nfs/dbraw/zinc/43/71/84/376437184.db2.gz MEYDAZBWHOUDJH-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000541536163 376455302 /nfs/dbraw/zinc/45/53/02/376455302.db2.gz BQQAZPVUHVHDAD-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000541536163 376455310 /nfs/dbraw/zinc/45/53/10/376455310.db2.gz BQQAZPVUHVHDAD-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000541536163 376455319 /nfs/dbraw/zinc/45/53/19/376455319.db2.gz BQQAZPVUHVHDAD-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229060524 376457261 /nfs/dbraw/zinc/45/72/61/376457261.db2.gz WOLWMBAXTNVAAY-IVMMDQJWSA-N 2 1 264.388 3.194 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000542151848 376511838 /nfs/dbraw/zinc/51/18/38/376511838.db2.gz SUFQQCIBFXRPNG-HOCLYGCPSA-N 2 1 278.465 3.097 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(C)CC2)[C@H](C)C1 ZINC000542506524 376550141 /nfs/dbraw/zinc/55/01/41/376550141.db2.gz DLBMRIQGSQBSJO-MNAZLIDISA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC(C)CC2)[C@H](C)C1 ZINC000542506524 376550150 /nfs/dbraw/zinc/55/01/50/376550150.db2.gz DLBMRIQGSQBSJO-MNAZLIDISA-N 2 1 266.473 3.475 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231462433 376559830 /nfs/dbraw/zinc/55/98/30/376559830.db2.gz VFRCNKUQLWMNDJ-LBPRGKRZSA-N 2 1 270.779 3.053 20 0 CGADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCCCCC1 ZINC000542477411 376546379 /nfs/dbraw/zinc/54/63/79/376546379.db2.gz ILRRZMCWWRPOQU-BBRMVZONSA-N 2 1 252.446 3.275 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cc1ccsc1 ZINC000543094942 376605835 /nfs/dbraw/zinc/60/58/35/376605835.db2.gz HJAXTUTYBXWZNV-IMJJTQAJSA-N 2 1 278.465 3.238 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000231746176 376568677 /nfs/dbraw/zinc/56/86/77/376568677.db2.gz OBQQMWAJOXYYNZ-CVEARBPZSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000231746176 376568680 /nfs/dbraw/zinc/56/86/80/376568680.db2.gz OBQQMWAJOXYYNZ-CVEARBPZSA-N 2 1 278.827 3.365 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCO2)CC1)CC(C)C ZINC000339062372 376656450 /nfs/dbraw/zinc/65/64/50/376656450.db2.gz DEIXFMLGHQEZGO-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC1(OC)CCC1 ZINC000339123904 376694858 /nfs/dbraw/zinc/69/48/58/376694858.db2.gz GOYJNRVBWBFLFT-UHFFFAOYSA-N 2 1 293.455 3.117 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC1(OC)CCC1 ZINC000339123904 376694860 /nfs/dbraw/zinc/69/48/60/376694860.db2.gz GOYJNRVBWBFLFT-UHFFFAOYSA-N 2 1 293.455 3.117 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000545160734 376789365 /nfs/dbraw/zinc/78/93/65/376789365.db2.gz AFSBPDOMCPAXOS-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000157024066 542131762 /nfs/dbraw/zinc/13/17/62/542131762.db2.gz FHVHBRDLCNRNQG-YOEHRIQHSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000157024066 542131764 /nfs/dbraw/zinc/13/17/64/542131764.db2.gz FHVHBRDLCNRNQG-YOEHRIQHSA-N 2 1 276.399 3.098 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426821 376812069 /nfs/dbraw/zinc/81/20/69/376812069.db2.gz LNWMEUINKOFWQO-MAUKXSAKSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426821 376812077 /nfs/dbraw/zinc/81/20/77/376812077.db2.gz LNWMEUINKOFWQO-MAUKXSAKSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426821 376812087 /nfs/dbraw/zinc/81/20/87/376812087.db2.gz LNWMEUINKOFWQO-MAUKXSAKSA-N 2 1 297.446 3.397 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@H]2CCOc3ccccc32)CCCC1 ZINC000159036952 542146432 /nfs/dbraw/zinc/14/64/32/542146432.db2.gz AFIDZVIRKUMEDH-OAHLLOKOSA-N 2 1 288.435 3.017 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000545519928 376830309 /nfs/dbraw/zinc/83/03/09/376830309.db2.gz VCIWIZORWHTNMY-HRCADAONSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000545519928 376830321 /nfs/dbraw/zinc/83/03/21/376830321.db2.gz VCIWIZORWHTNMY-HRCADAONSA-N 2 1 260.425 3.437 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245568576 376858442 /nfs/dbraw/zinc/85/84/42/376858442.db2.gz FYEOYUKYKPEYBO-BPQIPLTHSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245568576 376858453 /nfs/dbraw/zinc/85/84/53/376858453.db2.gz FYEOYUKYKPEYBO-BPQIPLTHSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245568576 376858463 /nfs/dbraw/zinc/85/84/63/376858463.db2.gz FYEOYUKYKPEYBO-BPQIPLTHSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000245601301 376864500 /nfs/dbraw/zinc/86/45/00/376864500.db2.gz OZYVKTMQOZFZBM-VMGRFDJRSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000245601301 376864510 /nfs/dbraw/zinc/86/45/10/376864510.db2.gz OZYVKTMQOZFZBM-VMGRFDJRSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000556782998 376879781 /nfs/dbraw/zinc/87/97/81/376879781.db2.gz IGSUDXPPJSIWRD-KBPBESRZSA-N 2 1 266.454 3.001 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000556870546 376894386 /nfs/dbraw/zinc/89/43/86/376894386.db2.gz OSBACRFRRLPGPM-OTWHNJEPSA-N 2 1 286.463 3.308 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000245944988 376940808 /nfs/dbraw/zinc/94/08/08/376940808.db2.gz NLSKFDZERKZFOI-CTASWTNQSA-N 2 1 263.429 3.242 20 0 CGADMP Clc1ccc(C2([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC000557539999 376942016 /nfs/dbraw/zinc/94/20/16/376942016.db2.gz VZNPPGDRRBQULS-UHFFFAOYSA-N 2 1 278.827 3.405 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164076 376979329 /nfs/dbraw/zinc/97/93/29/376979329.db2.gz IDEXSBBIKMEHRC-LPHOPBHVSA-N 2 1 284.447 3.482 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246335406 377012505 /nfs/dbraw/zinc/01/25/05/377012505.db2.gz GLYIVTAEYDYJSC-JFIYKMOQSA-N 2 1 274.452 3.164 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246469146 377038072 /nfs/dbraw/zinc/03/80/72/377038072.db2.gz QKEMARAUXYOCPM-DOTOQJQBSA-N 2 1 290.451 3.090 20 0 CGADMP COCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246294971 377005867 /nfs/dbraw/zinc/00/58/67/377005867.db2.gz DPNMGXCBLBMYIY-MSOLQXFVSA-N 2 1 296.499 3.390 20 0 CGADMP COCCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246294971 377005873 /nfs/dbraw/zinc/00/58/73/377005873.db2.gz DPNMGXCBLBMYIY-MSOLQXFVSA-N 2 1 296.499 3.390 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC000246898151 377114097 /nfs/dbraw/zinc/11/40/97/377114097.db2.gz JMKUJIKXWWBAOV-WBVHZDCISA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000246898151 377114107 /nfs/dbraw/zinc/11/41/07/377114107.db2.gz JMKUJIKXWWBAOV-WBVHZDCISA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC000246898151 377114113 /nfs/dbraw/zinc/11/41/13/377114113.db2.gz JMKUJIKXWWBAOV-WBVHZDCISA-N 2 1 258.409 3.090 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000246907537 377117134 /nfs/dbraw/zinc/11/71/34/377117134.db2.gz GDJFZEZHRBTDOO-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246947659 377124599 /nfs/dbraw/zinc/12/45/99/377124599.db2.gz HYIPRBZYXNGQLM-DLBZAZTESA-N 2 1 274.452 3.227 20 0 CGADMP CC(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559722773 377096422 /nfs/dbraw/zinc/09/64/22/377096422.db2.gz YDAKWGMHLVVYSJ-IRXDYDNUSA-N 2 1 260.425 3.458 20 0 CGADMP CC(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559722773 377096429 /nfs/dbraw/zinc/09/64/29/377096429.db2.gz YDAKWGMHLVVYSJ-IRXDYDNUSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000559879665 377103323 /nfs/dbraw/zinc/10/33/23/377103323.db2.gz UMGIYZAQLLATSV-MTERUZRBSA-N 2 1 264.457 3.274 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000560186434 377127647 /nfs/dbraw/zinc/12/76/47/377127647.db2.gz VCQXTQRLTKJVQJ-UHFFFAOYSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)CC(C)C ZINC000247052419 377150343 /nfs/dbraw/zinc/15/03/43/377150343.db2.gz NHQTZMDNIAYTDC-BZSNNMDCSA-N 3 1 297.531 3.063 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)C1CCCC1 ZINC000247193836 377175084 /nfs/dbraw/zinc/17/50/84/377175084.db2.gz UOHUVTPBJHHYQE-CGTJXYLNSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2cccs2)[C@H](C)C1 ZINC000247256115 377185959 /nfs/dbraw/zinc/18/59/59/377185959.db2.gz YSUIRTDOVGYHEF-FMKPAKJESA-N 2 1 280.481 3.247 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000247500122 377214333 /nfs/dbraw/zinc/21/43/33/377214333.db2.gz LPNZPVWBGAKGPZ-IRXDYDNUSA-N 2 1 274.452 3.454 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000340700504 377224839 /nfs/dbraw/zinc/22/48/39/377224839.db2.gz FCMZVPAJCDZHMB-QZTJIDSGSA-N 2 1 288.435 3.222 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC000247935525 377246915 /nfs/dbraw/zinc/24/69/15/377246915.db2.gz CKUXTHJMXFFYMQ-JZXOWHBKSA-N 2 1 274.452 3.418 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(C)c2)[C@@H](C)C1 ZINC000247935529 377247763 /nfs/dbraw/zinc/24/77/63/377247763.db2.gz CKUXTHJMXFFYMQ-RYRKJORJSA-N 2 1 274.452 3.418 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248134286 377269533 /nfs/dbraw/zinc/26/95/33/377269533.db2.gz OVDKXOBGTUBTIE-UKPHBRMFSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248134286 377269540 /nfs/dbraw/zinc/26/95/40/377269540.db2.gz OVDKXOBGTUBTIE-UKPHBRMFSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248134286 377269552 /nfs/dbraw/zinc/26/95/52/377269552.db2.gz OVDKXOBGTUBTIE-UKPHBRMFSA-N 2 1 276.399 3.303 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247993123 377255681 /nfs/dbraw/zinc/25/56/81/377255681.db2.gz JQHNYXOVYJHVLA-XLMAVXFVSA-N 2 1 274.452 3.417 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCSc2ccccc2)[C@@H](C)C1 ZINC000248027819 377258552 /nfs/dbraw/zinc/25/85/52/377258552.db2.gz POOMDRSTNZMWJF-HOCLYGCPSA-N 2 1 278.465 3.099 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCn2ccc3ccccc32)[C@@H](C)C1 ZINC000248040047 377261120 /nfs/dbraw/zinc/26/11/20/377261120.db2.gz SNDSBGBLWDAOJA-WMZOPIPTSA-N 2 1 299.462 3.351 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248443401 377322042 /nfs/dbraw/zinc/32/20/42/377322042.db2.gz VUABJIJGTFIGID-XIRDDKMYSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248443401 377322049 /nfs/dbraw/zinc/32/20/49/377322049.db2.gz VUABJIJGTFIGID-XIRDDKMYSA-N 2 1 275.440 3.482 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248153635 377271481 /nfs/dbraw/zinc/27/14/81/377271481.db2.gz RCPSCRBXYDBLCA-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248153635 377271489 /nfs/dbraw/zinc/27/14/89/377271489.db2.gz RCPSCRBXYDBLCA-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248391977 377304037 /nfs/dbraw/zinc/30/40/37/377304037.db2.gz DWXAWZMWGSQVJJ-QLPKVWCKSA-N 2 1 260.425 3.143 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000248619380 377366659 /nfs/dbraw/zinc/36/66/59/377366659.db2.gz BUHCLAICOPXEIN-ORIJERBGSA-N 2 1 263.429 3.242 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC000248677863 377382439 /nfs/dbraw/zinc/38/24/39/377382439.db2.gz BFILFGARRNAZRD-GDBMZVCRSA-N 2 1 292.471 3.155 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC000248677863 377382455 /nfs/dbraw/zinc/38/24/55/377382455.db2.gz BFILFGARRNAZRD-GDBMZVCRSA-N 2 1 292.471 3.155 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000248741448 377391728 /nfs/dbraw/zinc/39/17/28/377391728.db2.gz ADNIUVCYKSSEFM-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000248741448 377391742 /nfs/dbraw/zinc/39/17/42/377391742.db2.gz ADNIUVCYKSSEFM-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000248741448 377391748 /nfs/dbraw/zinc/39/17/48/377391748.db2.gz ADNIUVCYKSSEFM-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)nc1 ZINC000563269432 377429345 /nfs/dbraw/zinc/42/93/45/377429345.db2.gz SGPTXMQJCPHVHM-LJQANCHMSA-N 2 1 293.414 3.064 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC2CC2)[C@@H](C)C1 ZINC000248924904 377430398 /nfs/dbraw/zinc/43/03/98/377430398.db2.gz FRZPBEURMYAUHY-JZXOWHBKSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CCCc3occc32)C1 ZINC000248999623 377442595 /nfs/dbraw/zinc/44/25/95/377442595.db2.gz QCMOPTCACKXNAZ-HOCLYGCPSA-N 2 1 276.424 3.367 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000248999623 377442604 /nfs/dbraw/zinc/44/26/04/377442604.db2.gz QCMOPTCACKXNAZ-HOCLYGCPSA-N 2 1 276.424 3.367 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000248999623 377442609 /nfs/dbraw/zinc/44/26/09/377442609.db2.gz QCMOPTCACKXNAZ-HOCLYGCPSA-N 2 1 276.424 3.367 20 0 CGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)CC1 ZINC000249044349 377451133 /nfs/dbraw/zinc/45/11/33/377451133.db2.gz VQIBFWJABCYOHG-QZTJIDSGSA-N 2 1 292.467 3.123 20 0 CGADMP CCC(CC)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000248830351 377408682 /nfs/dbraw/zinc/40/86/82/377408682.db2.gz HGZSVNAQKSJAGL-XWDNEUNKSA-N 2 1 294.483 3.185 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC000563152550 377410823 /nfs/dbraw/zinc/41/08/23/377410823.db2.gz NNKANQWWOAYEGC-USXIJHARSA-N 2 1 292.854 3.332 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249086283 377459487 /nfs/dbraw/zinc/45/94/87/377459487.db2.gz BYIJDFYPBRGJGN-MCIONIFRSA-N 2 1 292.389 3.429 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000249097519 377460437 /nfs/dbraw/zinc/46/04/37/377460437.db2.gz MMUOFLRZRAWJCF-IEBWSBKVSA-N 2 1 284.447 3.454 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cn(C)c2c1 ZINC000249207480 377478430 /nfs/dbraw/zinc/47/84/30/377478430.db2.gz WTDLLDMAWDYLST-DOTOQJQBSA-N 2 1 299.462 3.102 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249215493 377481234 /nfs/dbraw/zinc/48/12/34/377481234.db2.gz ZPHWPCAHMGATNF-BHIYHBOVSA-N 2 1 286.463 3.428 20 0 CGADMP CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249258500 377482762 /nfs/dbraw/zinc/48/27/62/377482762.db2.gz GYCQMIXVMRDTKK-LZWOXQAQSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249258500 377482763 /nfs/dbraw/zinc/48/27/63/377482763.db2.gz GYCQMIXVMRDTKK-LZWOXQAQSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249258500 377482768 /nfs/dbraw/zinc/48/27/68/377482768.db2.gz GYCQMIXVMRDTKK-LZWOXQAQSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000249258500 377482769 /nfs/dbraw/zinc/48/27/69/377482769.db2.gz GYCQMIXVMRDTKK-LZWOXQAQSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000249369056 377495138 /nfs/dbraw/zinc/49/51/38/377495138.db2.gz APQBUXQSYSWRDO-OWCLPIDISA-N 2 1 290.451 3.411 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000249369056 377495143 /nfs/dbraw/zinc/49/51/43/377495143.db2.gz APQBUXQSYSWRDO-OWCLPIDISA-N 2 1 290.451 3.411 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C1CCCC1 ZINC000313399535 249090777 /nfs/dbraw/zinc/09/07/77/249090777.db2.gz RVVPBHKSKTUCQS-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000360973808 249113647 /nfs/dbraw/zinc/11/36/47/249113647.db2.gz FPSYLSPWTCYTPV-UHFFFAOYSA-N 2 1 292.471 3.125 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339188365 249101823 /nfs/dbraw/zinc/10/18/23/249101823.db2.gz GGRXDDYEQMVCRX-HOTGVXAUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339188365 249101827 /nfs/dbraw/zinc/10/18/27/249101827.db2.gz GGRXDDYEQMVCRX-HOTGVXAUSA-N 2 1 278.827 3.365 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000469994641 249165544 /nfs/dbraw/zinc/16/55/44/249165544.db2.gz ZTIVWBVAAKPYCY-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000469862990 249160201 /nfs/dbraw/zinc/16/02/01/249160201.db2.gz PKMKJWICOJNRFE-GJZGRUSLSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000469862989 249160580 /nfs/dbraw/zinc/16/05/80/249160580.db2.gz PKMKJWICOJNRFE-CABCVRRESA-N 2 1 288.435 3.177 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000250453993 377559756 /nfs/dbraw/zinc/55/97/56/377559756.db2.gz ZWTMROSYOTZODY-NEPJUHHUSA-N 2 1 284.806 3.472 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000250891341 377569309 /nfs/dbraw/zinc/56/93/09/377569309.db2.gz XQRCFHRTTBPVFG-RFGFWPKPSA-N 2 1 290.373 3.324 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000250891341 377569311 /nfs/dbraw/zinc/56/93/11/377569311.db2.gz XQRCFHRTTBPVFG-RFGFWPKPSA-N 2 1 290.373 3.324 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251129564 377573936 /nfs/dbraw/zinc/57/39/36/377573936.db2.gz XWVVYBSZOXZJKJ-TUKIKUTGSA-N 2 1 266.816 3.460 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251154450 377574422 /nfs/dbraw/zinc/57/44/22/377574422.db2.gz IXYBPMTUZNBUKL-FPQWYMTMSA-N 2 1 284.447 3.457 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251159522 377574472 /nfs/dbraw/zinc/57/44/72/377574472.db2.gz LREJPAPLFXKBRC-XHSDSOJGSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251159522 377574478 /nfs/dbraw/zinc/57/44/78/377574478.db2.gz LREJPAPLFXKBRC-XHSDSOJGSA-N 2 1 288.435 3.281 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000514760688 249188078 /nfs/dbraw/zinc/18/80/78/249188078.db2.gz UADKSNGBFLYBKR-DJIMGWMZSA-N 2 1 264.457 3.300 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000516650829 249239960 /nfs/dbraw/zinc/23/99/60/249239960.db2.gz VAXBMQFJONVVSI-SJLPKXTDSA-N 2 1 274.452 3.358 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000251376752 377580324 /nfs/dbraw/zinc/58/03/24/377580324.db2.gz YGNKVUSLIJUSBS-DOMZBBRYSA-N 2 1 252.377 3.192 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C1CCCC1 ZINC000515413315 249211433 /nfs/dbraw/zinc/21/14/33/249211433.db2.gz GKNCEPROIQMTLB-NXHRZFHOSA-N 2 1 287.451 3.215 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC000516054595 249224378 /nfs/dbraw/zinc/22/43/78/249224378.db2.gz VLCIWCBZMIUARS-CABCVRRESA-N 2 1 287.382 3.081 20 0 CGADMP Cc1cccc(NCc2ccc(CC[NH+](C)C)cc2)[nH+]1 ZINC000341482425 377585666 /nfs/dbraw/zinc/58/56/66/377585666.db2.gz OTVODAKBIIGXBC-UHFFFAOYSA-N 2 1 269.392 3.106 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000251592242 377588056 /nfs/dbraw/zinc/58/80/56/377588056.db2.gz XVUOFGYVOGGMPW-CABCVRRESA-N 2 1 268.404 3.442 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251578510 377588298 /nfs/dbraw/zinc/58/82/98/377588298.db2.gz VSNMSXGJNKQEQO-XQQFMLRXSA-N 2 1 266.816 3.460 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000517755430 249271059 /nfs/dbraw/zinc/27/10/59/249271059.db2.gz XOWSCUIWUSYQTJ-IBGZPJMESA-N 2 1 297.446 3.406 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000517755430 249271061 /nfs/dbraw/zinc/27/10/61/249271061.db2.gz XOWSCUIWUSYQTJ-IBGZPJMESA-N 2 1 297.446 3.406 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000517755390 249271175 /nfs/dbraw/zinc/27/11/75/249271175.db2.gz WPQDZTJIWDCUED-CYBMUJFWSA-N 2 1 275.371 3.185 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000517755390 249271176 /nfs/dbraw/zinc/27/11/76/249271176.db2.gz WPQDZTJIWDCUED-CYBMUJFWSA-N 2 1 275.371 3.185 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000251853224 377601114 /nfs/dbraw/zinc/60/11/14/377601114.db2.gz PESPZRFHXFGCNR-WOONOFOCSA-N 2 1 250.430 3.026 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341538442 377605084 /nfs/dbraw/zinc/60/50/84/377605084.db2.gz AUIMOUPAZXXJDA-UHFFFAOYSA-N 2 1 290.373 3.207 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252094077 377612426 /nfs/dbraw/zinc/61/24/26/377612426.db2.gz FDODKACUSRZPGF-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252094077 377612434 /nfs/dbraw/zinc/61/24/34/377612434.db2.gz FDODKACUSRZPGF-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@H+](CCCc3cncn3C)C2)cc1 ZINC000574336803 377650845 /nfs/dbraw/zinc/65/08/45/377650845.db2.gz YSRWXTJTFTVWJA-LJQANCHMSA-N 2 1 297.446 3.325 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000574336803 377650850 /nfs/dbraw/zinc/65/08/50/377650850.db2.gz YSRWXTJTFTVWJA-LJQANCHMSA-N 2 1 297.446 3.325 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000574336803 377650854 /nfs/dbraw/zinc/65/08/54/377650854.db2.gz YSRWXTJTFTVWJA-LJQANCHMSA-N 2 1 297.446 3.325 20 0 CGADMP CCC1CC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000342628168 377696923 /nfs/dbraw/zinc/69/69/23/377696923.db2.gz QOGJLDZYHZDDCT-QQFBHYJXSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]CC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000420406748 295235048 /nfs/dbraw/zinc/23/50/48/295235048.db2.gz NXWHAYBFBZBLIZ-CQSZACIVSA-N 2 1 252.789 3.120 20 0 CGADMP Fc1cc(Cl)cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000253157574 377679538 /nfs/dbraw/zinc/67/95/38/377679538.db2.gz QCXWSTHHNPPGKM-GJZGRUSLSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000253157574 377679544 /nfs/dbraw/zinc/67/95/44/377679544.db2.gz QCXWSTHHNPPGKM-GJZGRUSLSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000253157574 377679551 /nfs/dbraw/zinc/67/95/51/377679551.db2.gz QCXWSTHHNPPGKM-GJZGRUSLSA-N 2 1 282.790 3.196 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000253354941 377684769 /nfs/dbraw/zinc/68/47/69/377684769.db2.gz QZHWYRUGLZYWJW-BURFUSLBSA-N 2 1 290.451 3.083 20 0 CGADMP C[N@@H+](CCC1CCCCC1)CC[C@@H]1CCC[NH2+]C1 ZINC000259192616 377804587 /nfs/dbraw/zinc/80/45/87/377804587.db2.gz ZRWVNGKTCSKHPS-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1Cl ZINC000342814991 377813844 /nfs/dbraw/zinc/81/38/44/377813844.db2.gz OCYVHTBXHWJTPL-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000261577880 377820714 /nfs/dbraw/zinc/82/07/14/377820714.db2.gz CXMFFJXPPMUTTJ-FPMFFAJLSA-N 2 1 278.465 3.215 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000261595832 377823449 /nfs/dbraw/zinc/82/34/49/377823449.db2.gz OLDKNWIQZKYICF-ZDUSSCGKSA-N 2 1 274.330 3.168 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000261879706 377863539 /nfs/dbraw/zinc/86/35/39/377863539.db2.gz UMFIOKYXCWEADP-GOSISDBHSA-N 2 1 288.435 3.179 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261962711 377874326 /nfs/dbraw/zinc/87/43/26/377874326.db2.gz HLQWEZBAMMRTMM-MSOLQXFVSA-N 2 1 272.436 3.002 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183361754 542230785 /nfs/dbraw/zinc/23/07/85/542230785.db2.gz QEDHAIKKAGAHDZ-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262010842 377878366 /nfs/dbraw/zinc/87/83/66/377878366.db2.gz MFZXANZEMCFNSY-KBRIMQKVSA-N 2 1 276.399 3.208 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)C[C@]1(C)CC[NH2+]C1 ZINC000261749702 377849118 /nfs/dbraw/zinc/84/91/18/377849118.db2.gz JRZXPXJKTNLJDH-GOSISDBHSA-N 2 1 268.404 3.271 20 0 CGADMP C[C@]1(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261751349 377849292 /nfs/dbraw/zinc/84/92/92/377849292.db2.gz JWEGKZWNGNXXPO-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CC2)CC3)cc1 ZINC000342875204 377851225 /nfs/dbraw/zinc/85/12/25/377851225.db2.gz VGVYQABHKUZQQN-UHFFFAOYSA-N 2 1 284.447 3.385 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767898 377851302 /nfs/dbraw/zinc/85/13/02/377851302.db2.gz MGVFOLLYUDTRDH-KRWDZBQOSA-N 2 1 260.425 3.144 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000261869432 377860571 /nfs/dbraw/zinc/86/05/71/377860571.db2.gz ONWMYAADOBKRDT-XIRDDKMYSA-N 2 1 290.476 3.165 20 0 CGADMP c1ccc([C@H]2C[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000343092913 377901578 /nfs/dbraw/zinc/90/15/78/377901578.db2.gz NKTLGEHRUMOHNE-CRAIPNDOSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000343421990 377975182 /nfs/dbraw/zinc/97/51/82/377975182.db2.gz OVHQHRHOSVOZJM-PMPSAXMXSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000343421990 377975190 /nfs/dbraw/zinc/97/51/90/377975190.db2.gz OVHQHRHOSVOZJM-PMPSAXMXSA-N 2 1 250.430 3.053 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266217606 378018006 /nfs/dbraw/zinc/01/80/06/378018006.db2.gz HFCPQLJFAIQNNJ-CQSZACIVSA-N 2 1 299.805 3.339 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)cc1 ZINC000578237058 378050453 /nfs/dbraw/zinc/05/04/53/378050453.db2.gz YCLGQEVTJZUYGU-DVOMOZLQSA-N 2 1 285.391 3.009 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890328 378021631 /nfs/dbraw/zinc/02/16/31/378021631.db2.gz CCLXFLBFRHOMQR-ULQDDVLXSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890328 378021634 /nfs/dbraw/zinc/02/16/34/378021634.db2.gz CCLXFLBFRHOMQR-ULQDDVLXSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890328 378021638 /nfs/dbraw/zinc/02/16/38/378021638.db2.gz CCLXFLBFRHOMQR-ULQDDVLXSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000268830909 378125158 /nfs/dbraw/zinc/12/51/58/378125158.db2.gz SGGRSRRFQGBIKU-SJKOYZFVSA-N 2 1 287.382 3.244 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268867811 378136061 /nfs/dbraw/zinc/13/60/61/378136061.db2.gz ADYWKOZSAJTDPE-RDJZCZTQSA-N 2 1 292.492 3.382 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268867811 378136066 /nfs/dbraw/zinc/13/60/66/378136066.db2.gz ADYWKOZSAJTDPE-RDJZCZTQSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268893503 378145584 /nfs/dbraw/zinc/14/55/84/378145584.db2.gz DPEVYKWSXCJKOR-VQIMIIECSA-N 2 1 297.446 3.168 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268893503 378145586 /nfs/dbraw/zinc/14/55/86/378145586.db2.gz DPEVYKWSXCJKOR-VQIMIIECSA-N 2 1 297.446 3.168 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268724210 378096987 /nfs/dbraw/zinc/09/69/87/378096987.db2.gz QAECSVHOCCQCBG-VYDXJSESSA-N 2 1 260.425 3.285 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268724210 378096992 /nfs/dbraw/zinc/09/69/92/378096992.db2.gz QAECSVHOCCQCBG-VYDXJSESSA-N 2 1 260.425 3.285 20 0 CGADMP COc1cccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)c1 ZINC000269134559 378192213 /nfs/dbraw/zinc/19/22/13/378192213.db2.gz OZZZTXHPHOCPSV-SFHVURJKSA-N 2 1 299.418 3.427 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)c1 ZINC000269134559 378192217 /nfs/dbraw/zinc/19/22/17/378192217.db2.gz OZZZTXHPHOCPSV-SFHVURJKSA-N 2 1 299.418 3.427 20 0 CGADMP CC[N@@H+](CCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345188495 378218198 /nfs/dbraw/zinc/21/81/98/378218198.db2.gz KVHNWRGNDYEKFB-OAHLLOKOSA-N 2 1 296.842 3.183 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000270173255 378316799 /nfs/dbraw/zinc/31/67/99/378316799.db2.gz DCQOWZLBQAKLSQ-UHFFFAOYSA-N 2 1 281.762 3.164 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)n1 ZINC000270335888 378337530 /nfs/dbraw/zinc/33/75/30/378337530.db2.gz NABHESOECBQZEU-LBPRGKRZSA-N 2 1 288.420 3.123 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000270823019 378403029 /nfs/dbraw/zinc/40/30/29/378403029.db2.gz JUMGTBVQBZHNMP-AWEZNQCLSA-N 2 1 257.381 3.193 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000270823019 378403032 /nfs/dbraw/zinc/40/30/32/378403032.db2.gz JUMGTBVQBZHNMP-AWEZNQCLSA-N 2 1 257.381 3.193 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1(CC)CC ZINC000346272912 378528451 /nfs/dbraw/zinc/52/84/51/378528451.db2.gz HPXGLFDPDVZNRF-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(CC)CC ZINC000346272912 378528456 /nfs/dbraw/zinc/52/84/56/378528456.db2.gz HPXGLFDPDVZNRF-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)C(C)C ZINC000346132509 378474061 /nfs/dbraw/zinc/47/40/61/378474061.db2.gz LVXSIMCDVAAOEZ-CQSZACIVSA-N 2 1 272.396 3.052 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000271882101 378510001 /nfs/dbraw/zinc/51/00/01/378510001.db2.gz POPALPFVMCPAOJ-QGZVFWFLSA-N 2 1 270.420 3.261 20 0 CGADMP C[C@@H](NCc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272166856 378575748 /nfs/dbraw/zinc/57/57/48/378575748.db2.gz HAXFHGXBCQXCTM-WBVHZDCISA-N 2 1 284.403 3.280 20 0 CGADMP C[C@@H]([NH2+]Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272166856 378575757 /nfs/dbraw/zinc/57/57/57/378575757.db2.gz HAXFHGXBCQXCTM-WBVHZDCISA-N 2 1 284.403 3.280 20 0 CGADMP C[C@@H]([NH2+]Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272166856 378575767 /nfs/dbraw/zinc/57/57/67/378575767.db2.gz HAXFHGXBCQXCTM-WBVHZDCISA-N 2 1 284.403 3.280 20 0 CGADMP C[C@@H]([NH2+]Cc1ccoc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272179401 378578802 /nfs/dbraw/zinc/57/88/02/378578802.db2.gz KANZQIUMKMQFOU-QAPCUYQASA-N 2 1 284.403 3.280 20 0 CGADMP C[C@@H]([NH2+]Cc1ccoc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272179401 378578806 /nfs/dbraw/zinc/57/88/06/378578806.db2.gz KANZQIUMKMQFOU-QAPCUYQASA-N 2 1 284.403 3.280 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000346280510 378531128 /nfs/dbraw/zinc/53/11/28/378531128.db2.gz SERUTTPAIDUYBP-UHFFFAOYSA-N 2 1 287.382 3.390 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000346629596 378653383 /nfs/dbraw/zinc/65/33/83/378653383.db2.gz BHEXDOJJOBXAAD-CABCVRRESA-N 2 1 288.435 3.177 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000346647189 378661079 /nfs/dbraw/zinc/66/10/79/378661079.db2.gz FVFPRVGWKDFQEV-ZIAGYGMSSA-N 2 1 299.393 3.057 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000346667852 378669803 /nfs/dbraw/zinc/66/98/03/378669803.db2.gz ZEIRGFXZKTZPIC-OCCSQVGLSA-N 2 1 298.377 3.074 20 0 CGADMP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272599315 378674300 /nfs/dbraw/zinc/67/43/00/378674300.db2.gz UZOCWQJRNVTFHK-GFCCVEGCSA-N 2 1 296.374 3.492 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000346692923 378676342 /nfs/dbraw/zinc/67/63/42/378676342.db2.gz JSPRTENFQCZPEP-GOEBONIOSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347938370 378734905 /nfs/dbraw/zinc/73/49/05/378734905.db2.gz SGVIZSOGXNJOGT-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346998991 378703858 /nfs/dbraw/zinc/70/38/58/378703858.db2.gz YDCHBQKBANWORN-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC(C)(C)Oc2ccccc2)CC[N@@H+]1C ZINC000638117263 378705248 /nfs/dbraw/zinc/70/52/48/378705248.db2.gz PWWFLYZRAYPHJS-HOTGVXAUSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC(C)(C)Oc2ccccc2)CC[N@H+]1C ZINC000638117263 378705250 /nfs/dbraw/zinc/70/52/50/378705250.db2.gz PWWFLYZRAYPHJS-HOTGVXAUSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CC(C)(C)Oc2ccccc2)CC[NH+]1C ZINC000638117263 378705254 /nfs/dbraw/zinc/70/52/54/378705254.db2.gz PWWFLYZRAYPHJS-HOTGVXAUSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)Oc2ccccc2)CC[NH+]1C ZINC000638117263 378705257 /nfs/dbraw/zinc/70/52/57/378705257.db2.gz PWWFLYZRAYPHJS-HOTGVXAUSA-N 2 1 290.451 3.259 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000346690205 217989990 /nfs/dbraw/zinc/98/99/90/217989990.db2.gz STZSNEMBVGINJP-QWRGUYRKSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000346690205 217989991 /nfs/dbraw/zinc/98/99/91/217989991.db2.gz STZSNEMBVGINJP-QWRGUYRKSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CC1(F)F ZINC000638300912 378761396 /nfs/dbraw/zinc/76/13/96/378761396.db2.gz LCFVDZVPFHYHBG-OCCSQVGLSA-N 2 1 274.399 3.274 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000348100614 378792281 /nfs/dbraw/zinc/79/22/81/378792281.db2.gz FIJCJTIAGSKEBU-SJORKVTESA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000348111196 378796281 /nfs/dbraw/zinc/79/62/81/378796281.db2.gz OASQKNGNFIJDDA-CVEARBPZSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158042 378817259 /nfs/dbraw/zinc/81/72/59/378817259.db2.gz HAZIMZBZXKNERC-SJLPKXTDSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158042 378817263 /nfs/dbraw/zinc/81/72/63/378817263.db2.gz HAZIMZBZXKNERC-SJLPKXTDSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158042 378817267 /nfs/dbraw/zinc/81/72/67/378817267.db2.gz HAZIMZBZXKNERC-SJLPKXTDSA-N 2 1 288.435 3.014 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346851143 218036557 /nfs/dbraw/zinc/03/65/57/218036557.db2.gz QOALTKPADLMXIQ-SJLPKXTDSA-N 2 1 272.436 3.002 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000348262078 378871651 /nfs/dbraw/zinc/87/16/51/378871651.db2.gz QFEMSHKDIASHJQ-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2F)C[C@H]1C ZINC000346959551 218070601 /nfs/dbraw/zinc/07/06/01/218070601.db2.gz PMFLKWJTLWEYBP-GDBMZVCRSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2F)C[C@H]1C ZINC000346959551 218070602 /nfs/dbraw/zinc/07/06/02/218070602.db2.gz PMFLKWJTLWEYBP-GDBMZVCRSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2F)C[C@H]1C ZINC000346959551 218070604 /nfs/dbraw/zinc/07/06/04/218070604.db2.gz PMFLKWJTLWEYBP-GDBMZVCRSA-N 2 1 278.415 3.173 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348265828 378873756 /nfs/dbraw/zinc/87/37/56/378873756.db2.gz XDHGVXNBMCDFNB-QZTJIDSGSA-N 2 1 283.419 3.365 20 0 CGADMP CO[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000638699458 378878282 /nfs/dbraw/zinc/87/82/82/378878282.db2.gz AYWPVFLKYDWFCI-FBVQUNGASA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000346993866 218083750 /nfs/dbraw/zinc/08/37/50/218083750.db2.gz AWNMDLKLIYEXGM-GXTWGEPZSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000346993866 218083753 /nfs/dbraw/zinc/08/37/53/218083753.db2.gz AWNMDLKLIYEXGM-GXTWGEPZSA-N 2 1 293.480 3.360 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc2cccnc12 ZINC000347031607 218098091 /nfs/dbraw/zinc/09/80/91/218098091.db2.gz AFRSCQYAQFBOFM-PBHICJAKSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc2cccnc12 ZINC000347031607 218098093 /nfs/dbraw/zinc/09/80/93/218098093.db2.gz AFRSCQYAQFBOFM-PBHICJAKSA-N 2 1 283.419 3.245 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)CCC1 ZINC000429446982 284733161 /nfs/dbraw/zinc/73/31/61/284733161.db2.gz HGIRWOBZARSDQJ-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347112663 218126055 /nfs/dbraw/zinc/12/60/55/218126055.db2.gz RJPMFMRBSGYHJY-JBVJEOIHSA-N 2 1 274.383 3.054 20 0 CGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccns1 ZINC000639064340 378998412 /nfs/dbraw/zinc/99/84/12/378998412.db2.gz AJHLUCDKFAQSDY-UHFFFAOYSA-N 2 1 281.469 3.277 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347183465 218148511 /nfs/dbraw/zinc/14/85/11/218148511.db2.gz XEHOKZHKPNTALY-ZOQRYBGOSA-N 2 1 292.373 3.193 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347183465 218148513 /nfs/dbraw/zinc/14/85/13/218148513.db2.gz XEHOKZHKPNTALY-ZOQRYBGOSA-N 2 1 292.373 3.193 20 0 CGADMP Cc1cc(C)c(/C=C\CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)c1 ZINC000639113792 379038008 /nfs/dbraw/zinc/03/80/08/379038008.db2.gz VMANBUUABRKVIB-SPCWZHTESA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000639113792 379038014 /nfs/dbraw/zinc/03/80/14/379038014.db2.gz VMANBUUABRKVIB-SPCWZHTESA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000639113792 379038019 /nfs/dbraw/zinc/03/80/19/379038019.db2.gz VMANBUUABRKVIB-SPCWZHTESA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000639113792 379038026 /nfs/dbraw/zinc/03/80/26/379038026.db2.gz VMANBUUABRKVIB-SPCWZHTESA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000639113792 379038034 /nfs/dbraw/zinc/03/80/34/379038034.db2.gz VMANBUUABRKVIB-SPCWZHTESA-N 2 1 284.447 3.118 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000347438966 218236101 /nfs/dbraw/zinc/23/61/01/218236101.db2.gz WAELNNWAKMVUFZ-MRXNPFEDSA-N 2 1 298.858 3.085 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177437 379096531 /nfs/dbraw/zinc/09/65/31/379096531.db2.gz DENFTDAQQAPOFJ-JCHJZTRSSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177437 379096532 /nfs/dbraw/zinc/09/65/32/379096532.db2.gz DENFTDAQQAPOFJ-JCHJZTRSSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177437 379096533 /nfs/dbraw/zinc/09/65/33/379096533.db2.gz DENFTDAQQAPOFJ-JCHJZTRSSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177437 379096534 /nfs/dbraw/zinc/09/65/34/379096534.db2.gz DENFTDAQQAPOFJ-JCHJZTRSSA-N 2 1 286.463 3.452 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)CC1 ZINC000277321158 379132338 /nfs/dbraw/zinc/13/23/38/379132338.db2.gz VCDFHEGTEPCYFC-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)cn1 ZINC000349127708 379163860 /nfs/dbraw/zinc/16/38/60/379163860.db2.gz JBYRSDSKVAQTRQ-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)cn1 ZINC000349127708 379163866 /nfs/dbraw/zinc/16/38/66/379163866.db2.gz JBYRSDSKVAQTRQ-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000371747966 379175564 /nfs/dbraw/zinc/17/55/64/379175564.db2.gz UNUVIVBIUXVQGL-GOSISDBHSA-N 2 1 283.419 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000371747966 379175571 /nfs/dbraw/zinc/17/55/71/379175571.db2.gz UNUVIVBIUXVQGL-GOSISDBHSA-N 2 1 283.419 3.380 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(C)cc1 ZINC000278852795 194182927 /nfs/dbraw/zinc/18/29/27/194182927.db2.gz AHGQKSQCIWIDDU-DOTOQJQBSA-N 2 1 283.419 3.495 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000278866477 194190129 /nfs/dbraw/zinc/19/01/29/194190129.db2.gz MLTDCLQVFYOOBZ-ZDUSSCGKSA-N 2 1 298.833 3.343 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC000349354783 379245414 /nfs/dbraw/zinc/24/54/14/379245414.db2.gz SYYOBYFXQRLRNA-UHFFFAOYSA-N 2 1 286.366 3.062 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC000349354783 379245430 /nfs/dbraw/zinc/24/54/30/379245430.db2.gz SYYOBYFXQRLRNA-UHFFFAOYSA-N 2 1 286.366 3.062 20 0 CGADMP CC[C@H]1C[C@@H](C[N@@H+](CC)CCC[NH+](CC)CC)CCO1 ZINC000349410945 379269234 /nfs/dbraw/zinc/26/92/34/379269234.db2.gz VFWVMDIPJVLOAE-IRXDYDNUSA-N 2 1 284.488 3.245 20 0 CGADMP CC[N@@H+](C/C=C\c1ccc(F)cc1F)CCC[NH+](C)C ZINC000349417762 379276956 /nfs/dbraw/zinc/27/69/56/379276956.db2.gz MUXCITRVVMOJPT-ALCCZGGFSA-N 2 1 282.378 3.252 20 0 CGADMP CC[N@H+](C/C=C\c1ccc(F)cc1F)CCC[NH+](C)C ZINC000349417762 379276963 /nfs/dbraw/zinc/27/69/63/379276963.db2.gz MUXCITRVVMOJPT-ALCCZGGFSA-N 2 1 282.378 3.252 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000278391449 379371223 /nfs/dbraw/zinc/37/12/23/379371223.db2.gz FXLUMGCYEWCWED-LEUOFYLZSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000278391449 379371227 /nfs/dbraw/zinc/37/12/27/379371227.db2.gz FXLUMGCYEWCWED-LEUOFYLZSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)cc(F)c1 ZINC000278951241 194226366 /nfs/dbraw/zinc/22/63/66/194226366.db2.gz LLMHUWCXQCRGKU-RYUDHWBXSA-N 2 1 291.345 3.075 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000278330612 379349727 /nfs/dbraw/zinc/34/97/27/379349727.db2.gz DLZPSVHCOJOLHO-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755410 379569139 /nfs/dbraw/zinc/56/91/39/379569139.db2.gz JZLVJEWGUWVJNK-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755192 379569481 /nfs/dbraw/zinc/56/94/81/379569481.db2.gz HMBLIYIWYNOXMC-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000640015739 379686954 /nfs/dbraw/zinc/68/69/54/379686954.db2.gz MIWWEWYPTXGVFO-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP CCC1(C)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351581412 379729028 /nfs/dbraw/zinc/72/90/28/379729028.db2.gz FGVLEHZOIWXCPD-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Cl)c1ccco1 ZINC000267280914 190317922 /nfs/dbraw/zinc/31/79/22/190317922.db2.gz OUHVOGQCGADOQK-LBPRGKRZSA-N 2 1 265.744 3.043 20 0 CGADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280731881 379775997 /nfs/dbraw/zinc/77/59/97/379775997.db2.gz GYZKVPHBPZQVPS-VDHUWJSZSA-N 2 1 288.410 3.288 20 0 CGADMP CCc1nc(C[N@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000352512435 379841058 /nfs/dbraw/zinc/84/10/58/379841058.db2.gz XRONIMIOGLUDGH-UHFFFAOYSA-N 2 1 281.469 3.047 20 0 CGADMP CCc1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000352512435 379841062 /nfs/dbraw/zinc/84/10/62/379841062.db2.gz XRONIMIOGLUDGH-UHFFFAOYSA-N 2 1 281.469 3.047 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CCC2 ZINC000352580248 379866624 /nfs/dbraw/zinc/86/66/24/379866624.db2.gz JYNQIIKUJIKFHL-JCGIZDLHSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CCC2 ZINC000352580248 379866630 /nfs/dbraw/zinc/86/66/30/379866630.db2.gz JYNQIIKUJIKFHL-JCGIZDLHSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1nc(C[N@H+](C)CCCC[NH+]2CCCCC2)sc1C ZINC000640533908 379819198 /nfs/dbraw/zinc/81/91/98/379819198.db2.gz YMKRYWDWGAMRFL-UHFFFAOYSA-N 2 1 295.496 3.458 20 0 CGADMP Cc1nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)sc1C ZINC000640533908 379819201 /nfs/dbraw/zinc/81/92/01/379819201.db2.gz YMKRYWDWGAMRFL-UHFFFAOYSA-N 2 1 295.496 3.458 20 0 CGADMP CC(C)n1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532394 379819318 /nfs/dbraw/zinc/81/93/18/379819318.db2.gz ZIOAPGZXUSHVGP-UHFFFAOYSA-N 2 1 292.471 3.162 20 0 CGADMP CC(C)n1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532394 379819323 /nfs/dbraw/zinc/81/93/23/379819323.db2.gz ZIOAPGZXUSHVGP-UHFFFAOYSA-N 2 1 292.471 3.162 20 0 CGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccncc1Cl ZINC000640533096 379820510 /nfs/dbraw/zinc/82/05/10/379820510.db2.gz MEASEBKZKWWRBW-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccncc1Cl ZINC000640533096 379820515 /nfs/dbraw/zinc/82/05/15/379820515.db2.gz MEASEBKZKWWRBW-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP CC(C)(C)OC1CC([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000352701225 379914731 /nfs/dbraw/zinc/91/47/31/379914731.db2.gz GODIYGOMFRUBDH-UHFFFAOYSA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000402648825 379970440 /nfs/dbraw/zinc/97/04/40/379970440.db2.gz GBIKXQUXRGEFDX-ZDEQEGDKSA-N 2 1 280.378 3.283 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000282706333 379974322 /nfs/dbraw/zinc/97/43/22/379974322.db2.gz QMXQABKDMAUIIN-DZGCQCFKSA-N 2 1 292.854 3.345 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCC(C)(C)C2)s1 ZINC000352741734 379934046 /nfs/dbraw/zinc/93/40/46/379934046.db2.gz IHCSJMYYKSCKIT-GFCCVEGCSA-N 2 1 281.469 3.263 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352766010 379948411 /nfs/dbraw/zinc/94/84/11/379948411.db2.gz UNXMFIRUGWQESO-OLZOCXBDSA-N 2 1 281.469 3.121 20 0 CGADMP C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000400339068 379949338 /nfs/dbraw/zinc/94/93/38/379949338.db2.gz GYRFMYKWPTUKSN-HZMBPMFUSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)c2ccsc2S1 ZINC000401791379 379958855 /nfs/dbraw/zinc/95/88/55/379958855.db2.gz HHKWRJHDUGFESG-GWCFXTLKSA-N 2 1 293.461 3.239 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000571575900 322302330 /nfs/dbraw/zinc/30/23/30/322302330.db2.gz OOSHJDCSKJGPSA-ZBFHGGJFSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000571575900 322302332 /nfs/dbraw/zinc/30/23/32/322302332.db2.gz OOSHJDCSKJGPSA-ZBFHGGJFSA-N 2 1 264.457 3.395 20 0 CGADMP C[C@H]1C[C@@H](Nc2cc(C(C)(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000641397740 379997803 /nfs/dbraw/zinc/99/78/03/379997803.db2.gz ZRCCGFMNURRIAE-JSGCOSHPSA-N 2 1 261.413 3.274 20 0 CGADMP C[C@H]1C[C@@H](Nc2cc(C(C)(C)C)cc[nH+]2)CC[N@H+]1C ZINC000641397740 379997808 /nfs/dbraw/zinc/99/78/08/379997808.db2.gz ZRCCGFMNURRIAE-JSGCOSHPSA-N 2 1 261.413 3.274 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000409445178 380031930 /nfs/dbraw/zinc/03/19/30/380031930.db2.gz HTAOVYYIVQVVTP-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000409445178 380031932 /nfs/dbraw/zinc/03/19/32/380031932.db2.gz HTAOVYYIVQVVTP-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000409445178 380031933 /nfs/dbraw/zinc/03/19/33/380031933.db2.gz HTAOVYYIVQVVTP-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000641796932 380109690 /nfs/dbraw/zinc/10/96/90/380109690.db2.gz MLWXPCICKMNOII-BBRMVZONSA-N 2 1 299.418 3.209 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000641802957 380113599 /nfs/dbraw/zinc/11/35/99/380113599.db2.gz QCQJLDVMWGGMGM-KGLIPLIRSA-N 2 1 289.810 3.104 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2nsc3ccccc32)[C@@H]1CC[NH3+] ZINC000641823632 380115225 /nfs/dbraw/zinc/11/52/25/380115225.db2.gz SYHKYOMQYMYFLG-IUODEOHRSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2nsc3ccccc32)[C@@H]1CC[NH3+] ZINC000641823632 380115234 /nfs/dbraw/zinc/11/52/34/380115234.db2.gz SYHKYOMQYMYFLG-IUODEOHRSA-N 2 1 289.448 3.246 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000642341881 380167473 /nfs/dbraw/zinc/16/74/73/380167473.db2.gz OJRPXAIQURDEAC-QGZVFWFLSA-N 2 1 272.436 3.213 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000414191348 380200105 /nfs/dbraw/zinc/20/01/05/380200105.db2.gz RVVRNBAOHZZFNZ-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353945740 380247325 /nfs/dbraw/zinc/24/73/25/380247325.db2.gz BZYKFXRZSJOYJV-IJLUTSLNSA-N 2 1 278.362 3.037 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353953587 380252924 /nfs/dbraw/zinc/25/29/24/380252924.db2.gz GHLCHKNANUOYKJ-NEPJUHHUSA-N 2 1 278.362 3.039 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)s1 ZINC000414483972 380261821 /nfs/dbraw/zinc/26/18/21/380261821.db2.gz NJMYHUKGKZSJNF-HIFRSBDPSA-N 2 1 293.480 3.121 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414338094 380215213 /nfs/dbraw/zinc/21/52/13/380215213.db2.gz QYKUFVRVGQYISZ-QCODTGAPSA-N 2 1 296.499 3.287 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1csc(Cl)c1 ZINC000643521815 380337132 /nfs/dbraw/zinc/33/71/32/380337132.db2.gz CNMHEFYAXUEHDI-MWLCHTKSSA-N 2 1 258.818 3.194 20 0 CGADMP Clc1ccc([C@H]2CC[C@H]([NH2+]CC[NH2+]C3CC3)C2)cc1 ZINC000643508019 380329970 /nfs/dbraw/zinc/32/99/70/380329970.db2.gz ZWKTYFGGJDOLHP-BBRMVZONSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@@H]([NH2+]Cc1cc2c(s1)CCCC2)c1c[nH+]ccc1N ZINC000643456746 380308211 /nfs/dbraw/zinc/30/82/11/380308211.db2.gz UUAPLXWQOGNEBA-LLVKDONJSA-N 2 1 287.432 3.285 20 0 CGADMP CCCC[C@H](CC)CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414771692 380397302 /nfs/dbraw/zinc/39/73/02/380397302.db2.gz AGYOJMUBPWJVPU-DLBZAZTESA-N 2 1 296.499 3.280 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](CCc2ccc(F)cc2)C2CC2)CC[NH2+]1 ZINC000414696500 380378768 /nfs/dbraw/zinc/37/87/68/380378768.db2.gz PKZULEWPTZNBIY-ZBFHGGJFSA-N 2 1 290.426 3.221 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414701429 380380402 /nfs/dbraw/zinc/38/04/02/380380402.db2.gz WGPVTKBZRAAKED-UXLLHSPISA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@]3(CC=CCC3)C2)CC[NH2+]1 ZINC000414712899 380386132 /nfs/dbraw/zinc/38/61/32/380386132.db2.gz UPJVXXVQWLNUMP-IXDOHACOSA-N 2 1 262.441 3.197 20 0 CGADMP CC[N@H+](Cc1cccc(Cl)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000414720017 380387725 /nfs/dbraw/zinc/38/77/25/380387725.db2.gz WZJNEZCRIPQWMG-CYBMUJFWSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000414720017 380387731 /nfs/dbraw/zinc/38/77/31/380387731.db2.gz WZJNEZCRIPQWMG-CYBMUJFWSA-N 2 1 284.806 3.443 20 0 CGADMP CC[N@@H+](CCC[NH3+])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000414748061 380390854 /nfs/dbraw/zinc/39/08/54/380390854.db2.gz UBOQZHRQJLNRME-INIZCTEOSA-N 2 1 266.404 3.064 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000414748473 380391412 /nfs/dbraw/zinc/39/14/12/380391412.db2.gz IPSFJZJJIILLGO-WMZOPIPTSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000643525913 380341380 /nfs/dbraw/zinc/34/13/80/380341380.db2.gz IGHJWYHQOVYGTJ-PRHODGIISA-N 2 1 261.196 3.381 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000414663074 380358454 /nfs/dbraw/zinc/35/84/54/380358454.db2.gz AQUCTLICEVOKOG-GUTXKFCHSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1C(F)(F)F ZINC000414663922 380358612 /nfs/dbraw/zinc/35/86/12/380358612.db2.gz SKFHUJOKYCWTJA-AAEUAGOBSA-N 2 1 286.341 3.183 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)CC(C)(C)C[NH3+] ZINC000414662476 380358880 /nfs/dbraw/zinc/35/88/80/380358880.db2.gz QKRKPNFCCFCWDH-UHFFFAOYSA-N 2 1 272.392 3.363 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414765332 380395457 /nfs/dbraw/zinc/39/54/57/380395457.db2.gz FOWTXVHOLSSPGJ-IYBDPMFKSA-N 2 1 290.476 3.230 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546761 380361569 /nfs/dbraw/zinc/36/15/69/380361569.db2.gz UNTAETLYXCEYBJ-KBPBESRZSA-N 2 1 274.408 3.021 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1F ZINC000643547095 380362074 /nfs/dbraw/zinc/36/20/74/380362074.db2.gz ZPYJXWXCZNLZQQ-STQMWFEESA-N 2 1 262.372 3.151 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414855061 380457025 /nfs/dbraw/zinc/45/70/25/380457025.db2.gz VWBVULDBNGVERP-WFASDCNBSA-N 2 1 268.832 3.407 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414818798 380429745 /nfs/dbraw/zinc/42/97/45/380429745.db2.gz WOORAKSUICIXLD-MRXNPFEDSA-N 2 1 276.424 3.083 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C(F)(F)F ZINC000414772302 380398502 /nfs/dbraw/zinc/39/85/02/380398502.db2.gz QUWXOJJQKZYIFZ-UONOGXRCSA-N 2 1 298.352 3.055 20 0 CGADMP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780849 380400845 /nfs/dbraw/zinc/40/08/45/380400845.db2.gz MBGKBPKTWJNYAF-OLZOCXBDSA-N 2 1 296.817 3.301 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000414785255 380403445 /nfs/dbraw/zinc/40/34/45/380403445.db2.gz SFLTYNUMBOISFM-PVAVHDDUSA-N 2 1 290.426 3.251 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cscc1Cl)CC[NH2+]CC2 ZINC000643973744 380403981 /nfs/dbraw/zinc/40/39/81/380403981.db2.gz BAEBEAKJUZDJEB-LLVKDONJSA-N 2 1 284.856 3.366 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787629 380404470 /nfs/dbraw/zinc/40/44/70/380404470.db2.gz VQSXDMHLIVLDIC-AEEZDXSHSA-N 2 1 270.420 3.021 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414788089 380405392 /nfs/dbraw/zinc/40/53/92/380405392.db2.gz WEKJLCNSUCHOQO-HZPDHXFCSA-N 2 1 292.854 3.470 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414791687 380406854 /nfs/dbraw/zinc/40/68/54/380406854.db2.gz QTFLAKSCZWMULY-SFHVURJKSA-N 2 1 270.420 3.140 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]C1 ZINC000414854616 380456460 /nfs/dbraw/zinc/45/64/60/380456460.db2.gz MBGQSAMROMEKCL-GDBMZVCRSA-N 2 1 284.403 3.424 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414806407 380417837 /nfs/dbraw/zinc/41/78/37/380417837.db2.gz QETYRIHACIWSJF-LJQANCHMSA-N 2 1 296.414 3.093 20 0 CGADMP Clc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414926555 380492205 /nfs/dbraw/zinc/49/22/05/380492205.db2.gz NLBQJEWLMHTRMY-BZUAXINKSA-N 2 1 278.827 3.318 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414940482 380497500 /nfs/dbraw/zinc/49/75/00/380497500.db2.gz BOQDEGGQPILPNT-DZGCQCFKSA-N 2 1 284.403 3.079 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)oc2cc1C ZINC000414940973 380497859 /nfs/dbraw/zinc/49/78/59/380497859.db2.gz CEQWAKRWGVGHJR-UKRRQHHQSA-N 2 1 272.392 3.280 20 0 CGADMP c1ccc([C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CC23CCC3)cc1 ZINC000415130165 380509571 /nfs/dbraw/zinc/50/95/71/380509571.db2.gz WDEVNZCADLHOLN-FUHWJXTLSA-N 2 1 284.447 3.256 20 0 CGADMP CC1(c2ccccc2)CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000414862270 380463239 /nfs/dbraw/zinc/46/32/39/380463239.db2.gz HGIWIEAZPNZXDF-ADKAHSJRSA-N 2 1 272.436 3.229 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414866928 380464832 /nfs/dbraw/zinc/46/48/32/380464832.db2.gz NLBQJEWLMHTRMY-HRCADAONSA-N 2 1 278.827 3.318 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414876894 380469990 /nfs/dbraw/zinc/46/99/90/380469990.db2.gz WSXHSZIPPIQXMP-CVEARBPZSA-N 2 1 264.388 3.051 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906131 380483351 /nfs/dbraw/zinc/48/33/51/380483351.db2.gz MBIKQSKTDBVLBG-MRXNPFEDSA-N 2 1 280.843 3.382 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@H]1CC1(C)C ZINC000417318942 380591850 /nfs/dbraw/zinc/59/18/50/380591850.db2.gz ZUKUPONULQNHQK-BBWFWOEESA-N 2 1 296.499 3.028 20 0 CGADMP c1cn2c(cccc2C[N@H+](CC2CC2)C2CCC2)n1 ZINC000355673245 380746174 /nfs/dbraw/zinc/74/61/74/380746174.db2.gz AMLNABWPDWRLBX-UHFFFAOYSA-N 2 1 255.365 3.099 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000646095189 380833027 /nfs/dbraw/zinc/83/30/27/380833027.db2.gz IJBJMMUMKQOUKK-UHFFFAOYSA-N 2 1 289.810 3.285 20 0 CGADMP Clc1cccc2c1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000420306571 380843978 /nfs/dbraw/zinc/84/39/78/380843978.db2.gz QLAYZOJKMJUHRQ-ZDUSSCGKSA-N 2 1 278.827 3.088 20 0 CGADMP Cc1csc([C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420315068 380847134 /nfs/dbraw/zinc/84/71/34/380847134.db2.gz KVBSHPZAOQOXJI-CABCVRRESA-N 2 1 293.480 3.368 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000420331469 380849320 /nfs/dbraw/zinc/84/93/20/380849320.db2.gz QVGZXWCCPSVJTM-KKUMJFAQSA-N 2 1 286.410 3.133 20 0 CGADMP FC(F)(F)[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC12CCC2 ZINC000420373196 380850669 /nfs/dbraw/zinc/85/06/69/380850669.db2.gz MENFZGGMPWTSPZ-QWHCGFSZSA-N 2 1 290.373 3.041 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420365518 380852836 /nfs/dbraw/zinc/85/28/36/380852836.db2.gz LFLFTYSZZNGQMV-HYVNUMGLSA-N 2 1 282.472 3.079 20 0 CGADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000356844323 380898406 /nfs/dbraw/zinc/89/84/06/380898406.db2.gz HQDBHRQXOXNECE-TVFCKZIOSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357073632 381019924 /nfs/dbraw/zinc/01/99/24/381019924.db2.gz HZKBSXFHTMRVJO-MRXNPFEDSA-N 2 1 298.430 3.322 20 0 CGADMP CC[N@H+](CCNc1cc[nH+]c2ccsc21)C(C)C ZINC000357239597 381080740 /nfs/dbraw/zinc/08/07/40/381080740.db2.gz PGEGPJHDUHJLNQ-UHFFFAOYSA-N 2 1 263.410 3.439 20 0 CGADMP CC[N@@H+](CCNc1cc[nH+]c2ccsc21)C(C)C ZINC000357239597 381080748 /nfs/dbraw/zinc/08/07/48/381080748.db2.gz PGEGPJHDUHJLNQ-UHFFFAOYSA-N 2 1 263.410 3.439 20 0 CGADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000358016589 381288171 /nfs/dbraw/zinc/28/81/71/381288171.db2.gz GKASUNMQJDYGDO-NILFDRSVSA-N 2 1 294.826 3.093 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000334856733 207193649 /nfs/dbraw/zinc/19/36/49/207193649.db2.gz JYOFEFGKOWVUMH-SKDRFNHKSA-N 2 1 273.207 3.081 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000572892637 322359997 /nfs/dbraw/zinc/35/99/97/322359997.db2.gz MFGUBCZUQVETDD-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000572892637 322360000 /nfs/dbraw/zinc/36/00/00/322360000.db2.gz MFGUBCZUQVETDD-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP Clc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000334883284 207239550 /nfs/dbraw/zinc/23/95/50/207239550.db2.gz VCHRJTHSOXEYIG-PBWFPOADSA-N 2 1 285.218 3.366 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC000228536670 542299017 /nfs/dbraw/zinc/29/90/17/542299017.db2.gz TWKYPWZGCJWARK-KZNAEPCWSA-N 2 1 270.420 3.123 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]21 ZINC000230126497 542303329 /nfs/dbraw/zinc/30/33/29/542303329.db2.gz XGEUXKGHNUJECE-RYQLBKOJSA-N 2 1 270.420 3.123 20 0 CGADMP CSC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000365619006 382290025 /nfs/dbraw/zinc/29/00/25/382290025.db2.gz QDJLOYZKYSJITQ-ZBFHGGJFSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000365619006 382290030 /nfs/dbraw/zinc/29/00/30/382290030.db2.gz QDJLOYZKYSJITQ-ZBFHGGJFSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000365619006 382290035 /nfs/dbraw/zinc/29/00/35/382290035.db2.gz QDJLOYZKYSJITQ-ZBFHGGJFSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000365619006 382290039 /nfs/dbraw/zinc/29/00/39/382290039.db2.gz QDJLOYZKYSJITQ-ZBFHGGJFSA-N 2 1 294.508 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000235168884 542310847 /nfs/dbraw/zinc/31/08/47/542310847.db2.gz NACVSRNTFUGRCW-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000235168884 542310850 /nfs/dbraw/zinc/31/08/50/542310850.db2.gz NACVSRNTFUGRCW-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364187542 382264075 /nfs/dbraw/zinc/26/40/75/382264075.db2.gz BQDHHQLAHMOTEY-YNEHKIRRSA-N 2 1 280.437 3.034 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364187542 382264081 /nfs/dbraw/zinc/26/40/81/382264081.db2.gz BQDHHQLAHMOTEY-YNEHKIRRSA-N 2 1 280.437 3.034 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c21 ZINC000246717111 542328108 /nfs/dbraw/zinc/32/81/08/542328108.db2.gz NNRKQIOCZRNHGM-SJORKVTESA-N 2 1 297.446 3.235 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000368107599 382367198 /nfs/dbraw/zinc/36/71/98/382367198.db2.gz GKBZDPRLEIMZAU-LLLHUVSDSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000368107599 382367202 /nfs/dbraw/zinc/36/72/02/382367202.db2.gz GKBZDPRLEIMZAU-LLLHUVSDSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000368107599 382367204 /nfs/dbraw/zinc/36/72/04/382367204.db2.gz GKBZDPRLEIMZAU-LLLHUVSDSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000368107599 382367207 /nfs/dbraw/zinc/36/72/07/382367207.db2.gz GKBZDPRLEIMZAU-LLLHUVSDSA-N 2 1 262.441 3.005 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251080878 542345335 /nfs/dbraw/zinc/34/53/35/542345335.db2.gz GZMBDKNVANECFH-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251208154 542345775 /nfs/dbraw/zinc/34/57/75/542345775.db2.gz YIGILWALFJXUSB-IAGOWNOFSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251208154 542345779 /nfs/dbraw/zinc/34/57/79/542345779.db2.gz YIGILWALFJXUSB-IAGOWNOFSA-N 2 1 258.409 3.102 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251908309 542349135 /nfs/dbraw/zinc/34/91/35/542349135.db2.gz XMRMEJFTDRKFJN-TZMCWYRMSA-N 2 1 286.341 3.265 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253013633 542351830 /nfs/dbraw/zinc/35/18/30/542351830.db2.gz FHVHBRDLCNRNQG-WMLDXEAASA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253013633 542351834 /nfs/dbraw/zinc/35/18/34/542351834.db2.gz FHVHBRDLCNRNQG-WMLDXEAASA-N 2 1 276.399 3.098 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]CCn1cc[nH+]c1C ZINC000353739219 220292691 /nfs/dbraw/zinc/29/26/91/220292691.db2.gz OWFJTMGXVVRRNC-UHFFFAOYSA-N 2 1 277.799 3.197 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423258064 533175595 /nfs/dbraw/zinc/17/55/95/533175595.db2.gz AWYBWYOIPSCYFI-IJEWVQPXSA-N 2 1 278.440 3.150 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423314387 533177528 /nfs/dbraw/zinc/17/75/28/533177528.db2.gz GXSGIUFOCMETBU-ROUUACIJSA-N 2 1 290.451 3.499 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C(C1CCC1)C1CCC1 ZINC000305963791 542420305 /nfs/dbraw/zinc/42/03/05/542420305.db2.gz APDMAIDLWZESHD-CYBMUJFWSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CCCCCC1 ZINC000308613753 542423585 /nfs/dbraw/zinc/42/35/85/542423585.db2.gz KZZJRUHGCLFOJH-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000281247930 195166952 /nfs/dbraw/zinc/16/69/52/195166952.db2.gz NSLIGLQLSKUHQJ-WBVHZDCISA-N 2 1 287.451 3.100 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348077730 542513424 /nfs/dbraw/zinc/51/34/24/542513424.db2.gz DZAMDNMFNHGDKI-KBMXLJTQSA-N 2 1 250.430 3.029 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597234 224587649 /nfs/dbraw/zinc/58/76/49/224587649.db2.gz IQUAWBAGGMZSEE-HNNXBMFYSA-N 2 1 284.403 3.351 20 0 CGADMP c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597234 224587654 /nfs/dbraw/zinc/58/76/54/224587654.db2.gz IQUAWBAGGMZSEE-HNNXBMFYSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000281514677 195271138 /nfs/dbraw/zinc/27/11/38/195271138.db2.gz HJNNNGSDVDYCSI-QZTJIDSGSA-N 2 1 299.462 3.268 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281577386 195295501 /nfs/dbraw/zinc/29/55/01/195295501.db2.gz KUEZFMMXOMWRPJ-BRWVUGGUSA-N 2 1 291.414 3.134 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OCC(F)(F)F)cc1 ZINC000423289945 533351785 /nfs/dbraw/zinc/35/17/85/533351785.db2.gz YOVLPVZWSMYBIH-SNVBAGLBSA-N 2 1 290.329 3.016 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2ccccc2c1 ZINC000423281657 533511100 /nfs/dbraw/zinc/51/11/00/533511100.db2.gz UIJHTIXAJYLKKQ-PXAZEXFGSA-N 2 1 254.377 3.228 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388859650 542605553 /nfs/dbraw/zinc/60/55/53/542605553.db2.gz QJHQJCBYISIQSR-INWMFGNUSA-N 2 1 278.827 3.462 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000411308230 542629930 /nfs/dbraw/zinc/62/99/30/542629930.db2.gz HYCPZURFQXMERS-BHIYHBOVSA-N 2 1 284.447 3.350 20 0 CGADMP [NH3+]CCC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000414739546 542638605 /nfs/dbraw/zinc/63/86/05/542638605.db2.gz IVRZJCALXQTWFX-AWEZNQCLSA-N 2 1 252.789 3.216 20 0 CGADMP [NH3+]CCC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000414739546 542638609 /nfs/dbraw/zinc/63/86/09/542638609.db2.gz IVRZJCALXQTWFX-AWEZNQCLSA-N 2 1 252.789 3.216 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000050569059 392064473 /nfs/dbraw/zinc/06/44/73/392064473.db2.gz LKVJCFAEYVHHJE-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000050569059 392064479 /nfs/dbraw/zinc/06/44/79/392064479.db2.gz LKVJCFAEYVHHJE-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000054556539 392092692 /nfs/dbraw/zinc/09/26/92/392092692.db2.gz PMLOQRMLMAJBOA-FHERZECASA-N 2 1 252.446 3.133 20 0 CGADMP CCOc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000105443572 392288986 /nfs/dbraw/zinc/28/89/86/392288986.db2.gz RFPMYKOCWQJTNA-AWEZNQCLSA-N 2 1 287.407 3.016 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000361895670 392356117 /nfs/dbraw/zinc/35/61/17/392356117.db2.gz ALNKUFSYQGEIJJ-MRXNPFEDSA-N 2 1 294.487 3.228 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000250254509 131125439 /nfs/dbraw/zinc/12/54/39/131125439.db2.gz IXGHRZMGPIVCCC-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP Clc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674945 131135749 /nfs/dbraw/zinc/13/57/49/131135749.db2.gz WCMXYBVCBCMJDQ-GJZGRUSLSA-N 2 1 264.800 3.056 20 0 CGADMP Clc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674945 131135751 /nfs/dbraw/zinc/13/57/51/131135751.db2.gz WCMXYBVCBCMJDQ-GJZGRUSLSA-N 2 1 264.800 3.056 20 0 CGADMP Cc1cc([C@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)no1 ZINC000361944119 392370796 /nfs/dbraw/zinc/37/07/96/392370796.db2.gz MMZYJOONVMPOOG-MRXNPFEDSA-N 2 1 288.395 3.105 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)no1 ZINC000361944119 392370803 /nfs/dbraw/zinc/37/08/03/392370803.db2.gz MMZYJOONVMPOOG-MRXNPFEDSA-N 2 1 288.395 3.105 20 0 CGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453294407 542681550 /nfs/dbraw/zinc/68/15/50/542681550.db2.gz FNAGGLZERYNCKC-FGTMMUONSA-N 2 1 290.451 3.227 20 0 CGADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453294407 542681554 /nfs/dbraw/zinc/68/15/54/542681554.db2.gz FNAGGLZERYNCKC-FGTMMUONSA-N 2 1 290.451 3.227 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000289282230 392418880 /nfs/dbraw/zinc/41/88/80/392418880.db2.gz QGGGFQMTDFUYME-ACJLOTCBSA-N 2 1 270.420 3.451 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236041 542701440 /nfs/dbraw/zinc/70/14/40/542701440.db2.gz IDVNQKUDKCCIOS-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236041 542701445 /nfs/dbraw/zinc/70/14/45/542701445.db2.gz IDVNQKUDKCCIOS-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236041 542701449 /nfs/dbraw/zinc/70/14/49/542701449.db2.gz IDVNQKUDKCCIOS-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151851847 392486393 /nfs/dbraw/zinc/48/63/93/392486393.db2.gz KSWDBGLNXXMWHU-BZPMIXESSA-N 2 1 282.378 3.141 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162228710 392592417 /nfs/dbraw/zinc/59/24/17/392592417.db2.gz HSXVJTNMOZDVBL-GXTWGEPZSA-N 2 1 290.455 3.086 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000162476595 392595985 /nfs/dbraw/zinc/59/59/85/392595985.db2.gz KJRVXMOFYHHAFM-CQSZACIVSA-N 2 1 272.396 3.060 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000162476595 392595987 /nfs/dbraw/zinc/59/59/87/392595987.db2.gz KJRVXMOFYHHAFM-CQSZACIVSA-N 2 1 272.396 3.060 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)s1 ZINC000163220629 392602695 /nfs/dbraw/zinc/60/26/95/392602695.db2.gz DSTINDWHTDSNHM-AAEUAGOBSA-N 2 1 281.469 3.006 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000371734680 392550035 /nfs/dbraw/zinc/55/00/35/392550035.db2.gz GVXMSNDSTMNJPR-USXIJHARSA-N 2 1 288.435 3.281 20 0 CGADMP CC[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482515 392736349 /nfs/dbraw/zinc/73/63/49/392736349.db2.gz LJUDQKQREQMEIE-HNNXBMFYSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H]1CCC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482523 392736636 /nfs/dbraw/zinc/73/66/36/392736636.db2.gz MAWBGXQRYPUDKG-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[NH2+]Cc1scnc1C1CC1)C[NH+]1CCCCC1 ZINC000486930903 542709152 /nfs/dbraw/zinc/70/91/52/542709152.db2.gz SDRULBXSXZWFFB-CYBMUJFWSA-N 2 1 293.480 3.232 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000647485391 392739052 /nfs/dbraw/zinc/73/90/52/392739052.db2.gz VHQUMARSBNCLAP-ZDUSSCGKSA-N 2 1 298.833 3.343 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000647485391 392739055 /nfs/dbraw/zinc/73/90/55/392739055.db2.gz VHQUMARSBNCLAP-ZDUSSCGKSA-N 2 1 298.833 3.343 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3cc(OC)ccc3o2)CC[C@@H]1[NH3+] ZINC000647497356 392740288 /nfs/dbraw/zinc/74/02/88/392740288.db2.gz DNWFLVXDVIBGTR-LRDDRELGSA-N 2 1 288.391 3.001 20 0 CGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)CCC[NH3+] ZINC000647497587 392740784 /nfs/dbraw/zinc/74/07/84/392740784.db2.gz NCYMQVFWRSZXPJ-UHFFFAOYSA-N 2 1 286.419 3.408 20 0 CGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000647515887 392748728 /nfs/dbraw/zinc/74/87/28/392748728.db2.gz VKKYUMZTYWOVHF-RDJZCZTQSA-N 2 1 288.435 3.222 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000509964859 392778051 /nfs/dbraw/zinc/77/80/51/392778051.db2.gz XZTGJKSRCGDEJG-CVEARBPZSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC000647707512 392787462 /nfs/dbraw/zinc/78/74/62/392787462.db2.gz UQFRASNMAZGULV-ZIAGYGMSSA-N 2 1 255.365 3.225 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389342 392796976 /nfs/dbraw/zinc/79/69/76/392796976.db2.gz MLPNKVCVGVTUGV-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389342 392796983 /nfs/dbraw/zinc/79/69/83/392796983.db2.gz MLPNKVCVGVTUGV-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389342 392796988 /nfs/dbraw/zinc/79/69/88/392796988.db2.gz MLPNKVCVGVTUGV-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389342 392796992 /nfs/dbraw/zinc/79/69/92/392796992.db2.gz MLPNKVCVGVTUGV-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000375791636 392820598 /nfs/dbraw/zinc/82/05/98/392820598.db2.gz YQMUXIZKSYDJIL-GUTXKFCHSA-N 2 1 293.480 3.229 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000375791636 392820604 /nfs/dbraw/zinc/82/06/04/392820604.db2.gz YQMUXIZKSYDJIL-GUTXKFCHSA-N 2 1 293.480 3.229 20 0 CGADMP Fc1ccccc1CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647879601 392822860 /nfs/dbraw/zinc/82/28/60/392822860.db2.gz YHSDAWWGFMLZQT-OAHLLOKOSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647890098 392828797 /nfs/dbraw/zinc/82/87/97/392828797.db2.gz QHZAJTYNJYJELR-BFHYXJOUSA-N 2 1 280.843 3.373 20 0 CGADMP C[N@H+]1CCCC12CCN(Cc1sccc1Cl)CC2 ZINC000375871031 392835553 /nfs/dbraw/zinc/83/55/53/392835553.db2.gz BKLBMOAOMYIVBB-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP Cc1cc(NCCCC[N@H+]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000193986026 392892760 /nfs/dbraw/zinc/89/27/60/392892760.db2.gz FRGFUDZCKXRRAJ-ZDUSSCGKSA-N 2 1 276.428 3.017 20 0 CGADMP Cc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000193986026 392892764 /nfs/dbraw/zinc/89/27/64/392892764.db2.gz FRGFUDZCKXRRAJ-ZDUSSCGKSA-N 2 1 276.428 3.017 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000380835263 392905592 /nfs/dbraw/zinc/90/55/92/392905592.db2.gz LSFJHJYATKITJO-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC2CCC1CC2 ZINC000381883756 392915516 /nfs/dbraw/zinc/91/55/16/392915516.db2.gz KPJIYUBLSLIUFG-ARQTZMPVSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CC2CCC1CC2 ZINC000381883756 392915521 /nfs/dbraw/zinc/91/55/21/392915521.db2.gz KPJIYUBLSLIUFG-ARQTZMPVSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000512674311 392852241 /nfs/dbraw/zinc/85/22/41/392852241.db2.gz VTSKYDMFYSFJNZ-CVEARBPZSA-N 2 1 290.451 3.177 20 0 CGADMP C[NH+](C)C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000195352512 392965649 /nfs/dbraw/zinc/96/56/49/392965649.db2.gz JXAPCRXCMKHQSH-UHFFFAOYSA-N 2 1 296.842 3.135 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)C[C@H]1c1ccccc1 ZINC000340258551 392967725 /nfs/dbraw/zinc/96/77/25/392967725.db2.gz WFMPODYNZAIREF-ULQDDVLXSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)C[C@H]1c1ccccc1 ZINC000340258551 392967733 /nfs/dbraw/zinc/96/77/33/392967733.db2.gz WFMPODYNZAIREF-ULQDDVLXSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1F ZINC000211336592 392985241 /nfs/dbraw/zinc/98/52/41/392985241.db2.gz NAJLCPDHKLOHMW-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1F ZINC000211336592 392985247 /nfs/dbraw/zinc/98/52/47/392985247.db2.gz NAJLCPDHKLOHMW-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000221881134 393007853 /nfs/dbraw/zinc/00/78/53/393007853.db2.gz CIXJQDVFGCMCEG-JKOKRWQUSA-N 2 1 266.454 3.498 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)s1 ZINC000221881134 393007859 /nfs/dbraw/zinc/00/78/59/393007859.db2.gz CIXJQDVFGCMCEG-JKOKRWQUSA-N 2 1 266.454 3.498 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000232762122 393026636 /nfs/dbraw/zinc/02/66/36/393026636.db2.gz IUIBRWAMQZVOSO-QGZVFWFLSA-N 2 1 260.425 3.384 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)C1CCCC1 ZINC000415043226 393108241 /nfs/dbraw/zinc/10/82/41/393108241.db2.gz ANRPZAUBXBRSSP-SFHVURJKSA-N 2 1 288.435 3.083 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414991748 393082712 /nfs/dbraw/zinc/08/27/12/393082712.db2.gz AZHFOXZWPRDDLS-RWMBFGLXSA-N 2 1 262.388 3.036 20 0 CGADMP C[C@@H]([NH2+]Cc1cccc(Oc2ccccc2)c1)[C@H](C)[NH3+] ZINC000415011192 393092917 /nfs/dbraw/zinc/09/29/17/393092917.db2.gz QLSYQQWBXLXSBZ-UONOGXRCSA-N 2 1 270.376 3.304 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC000414692376 393052665 /nfs/dbraw/zinc/05/26/65/393052665.db2.gz PWYPJFUYRQGHCP-KYJSFNMBSA-N 2 1 290.426 3.221 20 0 CGADMP CC(C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246614160 393061656 /nfs/dbraw/zinc/06/16/56/393061656.db2.gz SIZOWXQJWZXVOO-TZMCWYRMSA-N 2 1 252.427 3.129 20 0 CGADMP CC(C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246614160 393061658 /nfs/dbraw/zinc/06/16/58/393061658.db2.gz SIZOWXQJWZXVOO-TZMCWYRMSA-N 2 1 252.427 3.129 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414980058 393076751 /nfs/dbraw/zinc/07/67/51/393076751.db2.gz OTPDHGNIKGOFNI-ZDUSSCGKSA-N 2 1 278.396 3.381 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414979561 393077250 /nfs/dbraw/zinc/07/72/50/393077250.db2.gz VMVGGFIIONDXCD-KRWDZBQOSA-N 2 1 284.403 3.424 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000415050694 393112826 /nfs/dbraw/zinc/11/28/26/393112826.db2.gz GAKYMBGWMMIUTQ-ZMSDIMECSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415059478 393119801 /nfs/dbraw/zinc/11/98/01/393119801.db2.gz WZFNGLFDWKCHOB-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063942 393123297 /nfs/dbraw/zinc/12/32/97/393123297.db2.gz JHJWGYODHINQOM-CXAGYDPISA-N 2 1 278.415 3.254 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415069775 393128201 /nfs/dbraw/zinc/12/82/01/393128201.db2.gz UAQZWCBVJYJMBG-QAPCUYQASA-N 2 1 274.452 3.423 20 0 CGADMP Clc1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000415078457 393132258 /nfs/dbraw/zinc/13/22/58/393132258.db2.gz IPGWUMPOBICEPD-OAHLLOKOSA-N 2 1 278.827 3.103 20 0 CGADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083339 393135682 /nfs/dbraw/zinc/13/56/82/393135682.db2.gz PTPDGVCQQGTYQA-WNRNVDISSA-N 2 1 288.435 3.027 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000468358744 393137564 /nfs/dbraw/zinc/13/75/64/393137564.db2.gz VPPRTISTRACTJJ-UGUYLWEFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415088380 393140532 /nfs/dbraw/zinc/14/05/32/393140532.db2.gz LXHGRNBMTQLVTR-FZMZJTMJSA-N 2 1 286.341 3.151 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000261554828 393140839 /nfs/dbraw/zinc/14/08/39/393140839.db2.gz PCWKCUBTHDHETA-NSHDSACASA-N 2 1 270.829 3.204 20 0 CGADMP CC(C)CCOc1ccccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415092541 393142477 /nfs/dbraw/zinc/14/24/77/393142477.db2.gz SZDZJKZXYZZFPU-SFHVURJKSA-N 2 1 290.451 3.201 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000415139520 393155270 /nfs/dbraw/zinc/15/52/70/393155270.db2.gz XHMNWHAZMZOCSC-UHFFFAOYSA-N 2 1 276.355 3.127 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000415139520 393155282 /nfs/dbraw/zinc/15/52/82/393155282.db2.gz XHMNWHAZMZOCSC-UHFFFAOYSA-N 2 1 276.355 3.127 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415135392 393156111 /nfs/dbraw/zinc/15/61/11/393156111.db2.gz WQJLCKWBGYOZKC-JFIYKMOQSA-N 2 1 274.452 3.172 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000469797944 393217174 /nfs/dbraw/zinc/21/71/74/393217174.db2.gz DXSRCKFZBJBXNY-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000270542334 393238645 /nfs/dbraw/zinc/23/86/45/393238645.db2.gz XPFFGRGKKOGJDP-AWEZNQCLSA-N 2 1 294.389 3.129 20 0 CGADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271904017 393255285 /nfs/dbraw/zinc/25/52/85/393255285.db2.gz WCSHUELDYVTRBS-UGSOOPFHSA-N 2 1 288.410 3.301 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000469798611 393216475 /nfs/dbraw/zinc/21/64/75/393216475.db2.gz GTPPPJTYQOIEOI-RHSMWYFYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000469798611 393216483 /nfs/dbraw/zinc/21/64/83/393216483.db2.gz GTPPPJTYQOIEOI-RHSMWYFYSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000274798412 393291210 /nfs/dbraw/zinc/29/12/10/393291210.db2.gz NYYPZUPPZWCNHE-GDBMZVCRSA-N 2 1 261.413 3.164 20 0 CGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000648816821 393261465 /nfs/dbraw/zinc/26/14/65/393261465.db2.gz KYSYGFIFKJNPJB-KBPBESRZSA-N 2 1 294.826 3.065 20 0 CGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000648816821 393261468 /nfs/dbraw/zinc/26/14/68/393261468.db2.gz KYSYGFIFKJNPJB-KBPBESRZSA-N 2 1 294.826 3.065 20 0 CGADMP Fc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000647233116 393402051 /nfs/dbraw/zinc/40/20/51/393402051.db2.gz UGFWIRKDXLJRLM-IRXDYDNUSA-N 2 1 288.410 3.421 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000474867981 393352885 /nfs/dbraw/zinc/35/28/85/393352885.db2.gz KLYXDCBDAKBQPW-RCCFBDPRSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000474867981 393352887 /nfs/dbraw/zinc/35/28/87/393352887.db2.gz KLYXDCBDAKBQPW-RCCFBDPRSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)N1CCCC[C@H]1C[N@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419361131 393369011 /nfs/dbraw/zinc/36/90/11/393369011.db2.gz SQVUPKMZQAPYTG-WCVJEAGWSA-N 2 1 252.446 3.226 20 0 CGADMP c1ccc2sc([C@H]3CCC[N@H+]3C[C@H]3CC[NH2+]C3)nc2c1 ZINC000649411159 393414962 /nfs/dbraw/zinc/41/49/62/393414962.db2.gz YUDRIFNNXDBCGO-GXTWGEPZSA-N 2 1 287.432 3.043 20 0 CGADMP c1ccc2sc([C@H]3CCC[N@@H+]3C[C@H]3CC[NH2+]C3)nc2c1 ZINC000649411159 393414971 /nfs/dbraw/zinc/41/49/71/393414971.db2.gz YUDRIFNNXDBCGO-GXTWGEPZSA-N 2 1 287.432 3.043 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000480194463 393435197 /nfs/dbraw/zinc/43/51/97/393435197.db2.gz MLRLVWPDJSLPGT-DYVFJYSZSA-N 2 1 278.415 3.379 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000484487008 393444983 /nfs/dbraw/zinc/44/49/83/393444983.db2.gz RMUUWJPZPKFEJU-RQJABVFESA-N 2 1 292.389 3.285 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420294600 393451371 /nfs/dbraw/zinc/45/13/71/393451371.db2.gz BJCDZDJOFYKUPV-YCPHGPKFSA-N 2 1 276.399 3.003 20 0 CGADMP c1ccc(SC[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420295989 393454313 /nfs/dbraw/zinc/45/43/13/393454313.db2.gz CUJYLYKKRNKZPY-HZPDHXFCSA-N 2 1 290.476 3.100 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@H]21 ZINC000420302763 393457638 /nfs/dbraw/zinc/45/76/38/393457638.db2.gz GNMPUMDGABGWLD-BNEJOLLZSA-N 2 1 288.410 3.262 20 0 CGADMP CC[N@@H+](CCCCC1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000420307531 393457803 /nfs/dbraw/zinc/45/78/03/393457803.db2.gz IVVJHWCUASWNAR-QGZVFWFLSA-N 2 1 282.472 3.047 20 0 CGADMP FC(F)(F)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000420312417 393460410 /nfs/dbraw/zinc/46/04/10/393460410.db2.gz WYBGYRQZEFOWJC-LBPRGKRZSA-N 2 1 278.362 3.041 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420394425 393482922 /nfs/dbraw/zinc/48/29/22/393482922.db2.gz KMGHUWAMGSUMQT-QZTJIDSGSA-N 2 1 272.436 3.213 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC2CCCCC2)cc1 ZINC000420321711 393466575 /nfs/dbraw/zinc/46/65/75/393466575.db2.gz RLDVGPKXNDNQKF-KRWDZBQOSA-N 2 1 290.451 3.250 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CCC1 ZINC000429520224 393473664 /nfs/dbraw/zinc/47/36/64/393473664.db2.gz LKMWYEBRQVTSBP-WBVHZDCISA-N 2 1 296.499 3.434 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c2ccccc2n1 ZINC000420366272 393477197 /nfs/dbraw/zinc/47/71/97/393477197.db2.gz LZUACFALTHDUQR-XAYKYTGQSA-N 2 1 283.419 3.019 20 0 CGADMP CCC(CC)C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248484 393411201 /nfs/dbraw/zinc/41/12/01/393411201.db2.gz AMZFSTYFBSYYRP-MSOLQXFVSA-N 2 1 274.452 3.358 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000358398909 393525450 /nfs/dbraw/zinc/52/54/50/393525450.db2.gz JWXAUTKQTZWOPG-VPKNTQAGSA-N 2 1 288.435 3.012 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000358398909 393525456 /nfs/dbraw/zinc/52/54/56/393525456.db2.gz JWXAUTKQTZWOPG-VPKNTQAGSA-N 2 1 288.435 3.012 20 0 CGADMP CCc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc2[nH+]1 ZINC000488710566 393547478 /nfs/dbraw/zinc/54/74/78/393547478.db2.gz FQJOZZZWCMKDKE-IBGZPJMESA-N 2 1 295.430 3.329 20 0 CGADMP NC[C@H]1CCC[N@H+]1CCCc1cccc2ccccc21 ZINC000430555672 393574394 /nfs/dbraw/zinc/57/43/94/393574394.db2.gz SQTGJOJDDQMUAT-QGZVFWFLSA-N 2 1 268.404 3.196 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1CCCc1cccc2ccccc21 ZINC000430555672 393574405 /nfs/dbraw/zinc/57/44/05/393574405.db2.gz SQTGJOJDDQMUAT-QGZVFWFLSA-N 2 1 268.404 3.196 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770747 542814378 /nfs/dbraw/zinc/81/43/78/542814378.db2.gz VBMNZYVSOKOWKE-NEPJUHHUSA-N 2 1 286.872 3.454 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C3CC3)c2)CCN1C ZINC000421320643 393604478 /nfs/dbraw/zinc/60/44/78/393604478.db2.gz QCLNFTQOXIOCME-KSSFIOAISA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C3CC3)c2)CC[NH+]1C ZINC000421320643 393604485 /nfs/dbraw/zinc/60/44/85/393604485.db2.gz QCLNFTQOXIOCME-KSSFIOAISA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C3CC3)c2)CC[NH+]1C ZINC000421320643 393604488 /nfs/dbraw/zinc/60/44/88/393604488.db2.gz QCLNFTQOXIOCME-KSSFIOAISA-N 2 1 272.436 3.479 20 0 CGADMP C[N@H+](CCN1CCC2(CC2(F)F)CC1)Cc1ccccc1 ZINC000649773207 393580851 /nfs/dbraw/zinc/58/08/51/393580851.db2.gz KKAFGZJMWAAZMF-UHFFFAOYSA-N 2 1 294.389 3.240 20 0 CGADMP C[N@@H+](CCN1CCC2(CC2(F)F)CC1)Cc1ccccc1 ZINC000649773207 393580857 /nfs/dbraw/zinc/58/08/57/393580857.db2.gz KKAFGZJMWAAZMF-UHFFFAOYSA-N 2 1 294.389 3.240 20 0 CGADMP Cc1ccc(SCC[N@H+](C)C2CC[NH2+]CC2)cc1C ZINC000430588909 393580811 /nfs/dbraw/zinc/58/08/11/393580811.db2.gz BBPAKEPOGKBYIV-UHFFFAOYSA-N 2 1 278.465 3.079 20 0 CGADMP C[N@@H+](CCCc1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000430591985 393581189 /nfs/dbraw/zinc/58/11/89/393581189.db2.gz GSKIGQZLULNCGH-UHFFFAOYSA-N 2 1 268.832 3.189 20 0 CGADMP CCCC[C@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414306 393611122 /nfs/dbraw/zinc/61/11/22/393611122.db2.gz KORDFYKYGWUWOL-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[C@H](CC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414306 393611123 /nfs/dbraw/zinc/61/11/23/393611123.db2.gz KORDFYKYGWUWOL-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432418149 393611783 /nfs/dbraw/zinc/61/17/83/393611783.db2.gz QJSNUDAJJZCFLH-AKNDPVLGSA-N 2 1 296.499 3.289 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423273750 393657343 /nfs/dbraw/zinc/65/73/43/393657343.db2.gz KZXVCVUGGYMGKX-IUIKQTSFSA-N 2 1 264.388 3.022 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CCC1 ZINC000423343216 393662466 /nfs/dbraw/zinc/66/24/66/393662466.db2.gz ZNXLIUBXEFGWQT-GFCCVEGCSA-N 2 1 282.840 3.348 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000443063713 393740633 /nfs/dbraw/zinc/74/06/33/393740633.db2.gz WYRJFPAFKQDZQI-OAHLLOKOSA-N 2 1 280.843 3.333 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000495170085 393777917 /nfs/dbraw/zinc/77/79/17/393777917.db2.gz YCOVAHSPGZVJJC-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000495170085 393777919 /nfs/dbraw/zinc/77/79/19/393777919.db2.gz YCOVAHSPGZVJJC-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000495170085 393777920 /nfs/dbraw/zinc/77/79/20/393777920.db2.gz YCOVAHSPGZVJJC-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000495170085 393777921 /nfs/dbraw/zinc/77/79/21/393777921.db2.gz YCOVAHSPGZVJJC-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000495170085 393777923 /nfs/dbraw/zinc/77/79/23/393777923.db2.gz YCOVAHSPGZVJJC-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000499600605 393801657 /nfs/dbraw/zinc/80/16/57/393801657.db2.gz PJFJFWWEBCZQMX-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000499600605 393801662 /nfs/dbraw/zinc/80/16/62/393801662.db2.gz PJFJFWWEBCZQMX-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499912803 393811995 /nfs/dbraw/zinc/81/19/95/393811995.db2.gz LJUHYYRDFSXYNQ-UHFFFAOYSA-N 2 1 274.452 3.209 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000445817424 393827747 /nfs/dbraw/zinc/82/77/47/393827747.db2.gz FUDRUKQGANHVBA-KRWDZBQOSA-N 2 1 286.463 3.413 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000445817424 393827750 /nfs/dbraw/zinc/82/77/50/393827750.db2.gz FUDRUKQGANHVBA-KRWDZBQOSA-N 2 1 286.463 3.413 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000445817424 393827752 /nfs/dbraw/zinc/82/77/52/393827752.db2.gz FUDRUKQGANHVBA-KRWDZBQOSA-N 2 1 286.463 3.413 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560451 393903630 /nfs/dbraw/zinc/90/36/30/393903630.db2.gz LIOFWKINIQNFDD-MGLUKCQKSA-N 2 1 252.446 3.416 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000501421839 393852284 /nfs/dbraw/zinc/85/22/84/393852284.db2.gz JSANLGPEZUYLSV-XRSVIKRQSA-N 2 1 270.420 3.306 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000501421839 393852287 /nfs/dbraw/zinc/85/22/87/393852287.db2.gz JSANLGPEZUYLSV-XRSVIKRQSA-N 2 1 270.420 3.306 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cnc3n2CCC3)cc1 ZINC000667462818 542870651 /nfs/dbraw/zinc/87/06/51/542870651.db2.gz VTFVJHFWLGVYCM-KRWDZBQOSA-N 2 1 297.402 3.175 20 0 CGADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000667472139 542873204 /nfs/dbraw/zinc/87/32/04/542873204.db2.gz ZNDDGRZMHZZUSL-UHFFFAOYSA-N 2 1 270.380 3.032 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000453056408 394155300 /nfs/dbraw/zinc/15/53/00/394155300.db2.gz BXSNKCKEILHBQZ-KBAYOESNSA-N 2 1 287.451 3.009 20 0 CGADMP CCn1ccnc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000453067430 394158985 /nfs/dbraw/zinc/15/89/85/394158985.db2.gz XQNWLYPDPKRBMS-HZPDHXFCSA-N 2 1 292.471 3.066 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc2ccoc21)C1CC1 ZINC000453601050 394254728 /nfs/dbraw/zinc/25/47/28/394254728.db2.gz TVRWOYGKJRQDPJ-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453640849 394264636 /nfs/dbraw/zinc/26/46/36/394264636.db2.gz XMXOWJPGOGRLMZ-WFASDCNBSA-N 2 1 281.469 3.263 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)[nH]c2c1 ZINC000667667642 542912026 /nfs/dbraw/zinc/91/20/26/542912026.db2.gz SCZJGQLSYSVXSJ-YOEHRIQHSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[nH]c2c1 ZINC000667667642 542912028 /nfs/dbraw/zinc/91/20/28/542912028.db2.gz SCZJGQLSYSVXSJ-YOEHRIQHSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)[nH]c2c1 ZINC000667667642 542912031 /nfs/dbraw/zinc/91/20/31/542912031.db2.gz SCZJGQLSYSVXSJ-YOEHRIQHSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)[nH]c2c1 ZINC000667667642 542912034 /nfs/dbraw/zinc/91/20/34/542912034.db2.gz SCZJGQLSYSVXSJ-YOEHRIQHSA-N 2 1 285.435 3.391 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(COC)cs2)C1 ZINC000667672862 542914659 /nfs/dbraw/zinc/91/46/59/542914659.db2.gz JIMVMAFLPVSBPV-CQSZACIVSA-N 2 1 296.480 3.058 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(COC)cs2)C1 ZINC000667672862 542914662 /nfs/dbraw/zinc/91/46/62/542914662.db2.gz JIMVMAFLPVSBPV-CQSZACIVSA-N 2 1 296.480 3.058 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(COC)cs2)C1 ZINC000667677249 542915922 /nfs/dbraw/zinc/91/59/22/542915922.db2.gz MWAMRTCQPLEIHB-CQSZACIVSA-N 2 1 296.480 3.058 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(COC)cs2)C1 ZINC000667677249 542915926 /nfs/dbraw/zinc/91/59/26/542915926.db2.gz MWAMRTCQPLEIHB-CQSZACIVSA-N 2 1 296.480 3.058 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(COC)cs2)C1 ZINC000667677249 542915930 /nfs/dbraw/zinc/91/59/30/542915930.db2.gz MWAMRTCQPLEIHB-CQSZACIVSA-N 2 1 296.480 3.058 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(COC)cs2)C1 ZINC000667677249 542915933 /nfs/dbraw/zinc/91/59/33/542915933.db2.gz MWAMRTCQPLEIHB-CQSZACIVSA-N 2 1 296.480 3.058 20 0 CGADMP Cc1cccc2[nH]c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc21 ZINC000667705314 542919976 /nfs/dbraw/zinc/91/99/76/542919976.db2.gz AZSVEQKPAOZOIL-BEFAXECRSA-N 2 1 297.446 3.392 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000667835437 542935092 /nfs/dbraw/zinc/93/50/92/542935092.db2.gz QCHOKQUGFFAVQR-ZRNYENFQSA-N 2 1 298.474 3.329 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]2CCCC[C@H]21 ZINC000667964609 542950382 /nfs/dbraw/zinc/95/03/82/542950382.db2.gz LZXWEWPPHPQERB-FHLIZLRMSA-N 2 1 296.418 3.278 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]2CCCC[C@H]21 ZINC000667964609 542950385 /nfs/dbraw/zinc/95/03/85/542950385.db2.gz LZXWEWPPHPQERB-FHLIZLRMSA-N 2 1 296.418 3.278 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)([NH+](C)C)C1 ZINC000548885327 289028099 /nfs/dbraw/zinc/02/80/99/289028099.db2.gz XWQSMKUVNDMPDX-ALYAQQCSSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(COC)cs1 ZINC000668165772 542978401 /nfs/dbraw/zinc/97/84/01/542978401.db2.gz FPXFMRYMQYLPML-UHFFFAOYSA-N 2 1 296.480 3.202 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(COC)cs1 ZINC000668165772 542978402 /nfs/dbraw/zinc/97/84/02/542978402.db2.gz FPXFMRYMQYLPML-UHFFFAOYSA-N 2 1 296.480 3.202 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336844995 292054924 /nfs/dbraw/zinc/05/49/24/292054924.db2.gz LLQWOAKHNVUYAV-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336844995 292054925 /nfs/dbraw/zinc/05/49/25/292054925.db2.gz LLQWOAKHNVUYAV-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336844995 292054926 /nfs/dbraw/zinc/05/49/26/292054926.db2.gz LLQWOAKHNVUYAV-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC000670264915 543146860 /nfs/dbraw/zinc/14/68/60/543146860.db2.gz RAUWGTDDRRZWNM-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)C(C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C(C)C ZINC000671192493 543162458 /nfs/dbraw/zinc/16/24/58/543162458.db2.gz SXEBQSCZACOZES-INIZCTEOSA-N 2 1 284.488 3.005 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1[nH]nc2ccccc21)C(C)C ZINC000673629559 543248411 /nfs/dbraw/zinc/24/84/11/543248411.db2.gz FXZXKRLMWDCXFI-UHFFFAOYSA-N 2 1 288.439 3.161 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394842807 397696697 /nfs/dbraw/zinc/69/66/97/397696697.db2.gz ZZGVHLPXXXPTEA-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708282 397898200 /nfs/dbraw/zinc/89/82/00/397898200.db2.gz WYLJORPTSXUVKI-SFFUCWETSA-N 2 1 294.483 3.031 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000650720398 397902084 /nfs/dbraw/zinc/90/20/84/397902084.db2.gz NNJBVLIYBAUYDX-OAHLLOKOSA-N 2 1 286.419 3.481 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(F)cc(F)c1 ZINC000650751872 397908704 /nfs/dbraw/zinc/90/87/04/397908704.db2.gz DDQKFPLIAICWGG-SNVBAGLBSA-N 2 1 294.320 3.413 20 0 CGADMP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccccc32)C[C@H]1C ZINC000677152302 543437028 /nfs/dbraw/zinc/43/70/28/543437028.db2.gz BZFUKXARQARUJP-CQSZACIVSA-N 2 1 269.392 3.074 20 0 CGADMP CC(C)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CC1 ZINC000678156613 543489764 /nfs/dbraw/zinc/48/97/64/543489764.db2.gz JRBVUVDGKJIRQT-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)nc2C)C1 ZINC000678414937 543522286 /nfs/dbraw/zinc/52/22/86/543522286.db2.gz WMICIZPODNGKIE-GDBMZVCRSA-N 2 1 275.440 3.081 20 0 CGADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000678822881 543563598 /nfs/dbraw/zinc/56/35/98/543563598.db2.gz KBSGPXLMQILCHE-RDJZCZTQSA-N 2 1 299.418 3.332 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678926383 543572542 /nfs/dbraw/zinc/57/25/42/543572542.db2.gz AZJLNGULCMCOLX-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C12CCCCC2 ZINC000344010288 286284628 /nfs/dbraw/zinc/28/46/28/286284628.db2.gz HNLGPVUVJBPDFT-BRWVUGGUSA-N 2 1 294.483 3.044 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)C12CCC2 ZINC000359987005 286401671 /nfs/dbraw/zinc/40/16/71/286401671.db2.gz MRTKQKQWMSCJBX-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000459790122 287029924 /nfs/dbraw/zinc/02/99/24/287029924.db2.gz QUVOIXUXNYFHEZ-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC000081516763 287073597 /nfs/dbraw/zinc/07/35/97/287073597.db2.gz PPUVBTKDXIOPSY-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000081516763 287073599 /nfs/dbraw/zinc/07/35/99/287073599.db2.gz PPUVBTKDXIOPSY-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000081516763 287073600 /nfs/dbraw/zinc/07/36/00/287073600.db2.gz PPUVBTKDXIOPSY-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC000081517037 287073763 /nfs/dbraw/zinc/07/37/63/287073763.db2.gz LVDSSPATABJGIJ-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000081517037 287073766 /nfs/dbraw/zinc/07/37/66/287073766.db2.gz LVDSSPATABJGIJ-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000081517037 287073768 /nfs/dbraw/zinc/07/37/68/287073768.db2.gz LVDSSPATABJGIJ-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000088296650 287086152 /nfs/dbraw/zinc/08/61/52/287086152.db2.gz ZAFPOATWGBATKZ-SFHVURJKSA-N 2 1 274.452 3.317 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000066152407 165033957 /nfs/dbraw/zinc/03/39/57/165033957.db2.gz PSOCJFXFMYZPSJ-KRWDZBQOSA-N 2 1 290.451 3.282 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081636879 165165471 /nfs/dbraw/zinc/16/54/71/165165471.db2.gz JERJLCVBIYKDHI-HOCLYGCPSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000090585823 165239150 /nfs/dbraw/zinc/23/91/50/165239150.db2.gz KJQQMBACPMJROY-HOTGVXAUSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000090585823 165239152 /nfs/dbraw/zinc/23/91/52/165239152.db2.gz KJQQMBACPMJROY-HOTGVXAUSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)c1ccc(F)cc1 ZINC000094011332 165343740 /nfs/dbraw/zinc/34/37/40/165343740.db2.gz CIDITRCIMHMOIJ-ZDUSSCGKSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119584305 287171209 /nfs/dbraw/zinc/17/12/09/287171209.db2.gz PRKGSEUSSDITCS-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119699288 287172765 /nfs/dbraw/zinc/17/27/65/287172765.db2.gz PGDAPVCTJMKPJA-BBRMVZONSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000119993382 287176391 /nfs/dbraw/zinc/17/63/91/287176391.db2.gz AJBIGMXTGDUZMN-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000119993382 287176393 /nfs/dbraw/zinc/17/63/93/287176393.db2.gz AJBIGMXTGDUZMN-HOCLYGCPSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000124706355 287236132 /nfs/dbraw/zinc/23/61/32/287236132.db2.gz CZLLVTAVOHZUFD-WBVHZDCISA-N 2 1 290.451 3.089 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000020128756 171016255 /nfs/dbraw/zinc/01/62/55/171016255.db2.gz WSWPUVDMOCMMRS-OAHLLOKOSA-N 2 1 276.424 3.222 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000285399501 196272550 /nfs/dbraw/zinc/27/25/50/196272550.db2.gz IFCQZHDDQTVAQE-UHFFFAOYSA-N 2 1 272.392 3.395 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000037267045 173077599 /nfs/dbraw/zinc/07/75/99/173077599.db2.gz ZBGXKCPPSCATLZ-JTQLQIEISA-N 2 1 270.779 3.224 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000037292574 173097125 /nfs/dbraw/zinc/09/71/25/173097125.db2.gz QVMRBZNTWHHGBZ-QZTJIDSGSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000037292574 173097119 /nfs/dbraw/zinc/09/71/19/173097119.db2.gz QVMRBZNTWHHGBZ-QZTJIDSGSA-N 2 1 288.435 3.190 20 0 CGADMP c1ccc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000037408306 173185412 /nfs/dbraw/zinc/18/54/12/173185412.db2.gz STGPKORKWVJVCX-INIZCTEOSA-N 2 1 280.415 3.414 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000037467786 173227222 /nfs/dbraw/zinc/22/72/22/173227222.db2.gz UWBGVDYIZXTEBN-OAHLLOKOSA-N 2 1 260.425 3.287 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000037538947 173258632 /nfs/dbraw/zinc/25/86/32/173258632.db2.gz WTMIGKYJIHGJJZ-UHFFFAOYSA-N 2 1 266.816 3.304 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000038041846 174043952 /nfs/dbraw/zinc/04/39/52/174043952.db2.gz SCSQRYPCGCGMKI-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000127376036 287286693 /nfs/dbraw/zinc/28/66/93/287286693.db2.gz WTEFULXINAOPNR-BZOOQXSSSA-N 2 1 278.415 3.392 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000127376036 287286694 /nfs/dbraw/zinc/28/66/94/287286694.db2.gz WTEFULXINAOPNR-BZOOQXSSSA-N 2 1 278.415 3.392 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746596 174392207 /nfs/dbraw/zinc/39/22/07/174392207.db2.gz WJWIWAWVKAPEDL-YIONKMFJSA-N 2 1 270.376 3.148 20 0 CGADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000128552263 287313426 /nfs/dbraw/zinc/31/34/26/287313426.db2.gz RRQKDHCCTXBCAP-STQMWFEESA-N 2 1 267.442 3.058 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000128552263 287313430 /nfs/dbraw/zinc/31/34/30/287313430.db2.gz RRQKDHCCTXBCAP-STQMWFEESA-N 2 1 267.442 3.058 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000128552263 287313431 /nfs/dbraw/zinc/31/34/31/287313431.db2.gz RRQKDHCCTXBCAP-STQMWFEESA-N 2 1 267.442 3.058 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000071376977 176141774 /nfs/dbraw/zinc/14/17/74/176141774.db2.gz QMPXBGHUVUDZMQ-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000071376977 176141776 /nfs/dbraw/zinc/14/17/76/176141776.db2.gz QMPXBGHUVUDZMQ-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000050580300 416477679 /nfs/dbraw/zinc/47/76/79/416477679.db2.gz ZNAKRORNWWAJLN-RDJZCZTQSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000050580300 416477684 /nfs/dbraw/zinc/47/76/84/416477684.db2.gz ZNAKRORNWWAJLN-RDJZCZTQSA-N 2 1 276.399 3.098 20 0 CGADMP C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)CC1CCOCC1 ZINC000313814416 416535773 /nfs/dbraw/zinc/53/57/73/416535773.db2.gz SEIWGASVYRLTGF-QZTJIDSGSA-N 2 1 294.483 3.047 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000314675239 416537679 /nfs/dbraw/zinc/53/76/79/416537679.db2.gz GVPYTZIIRWEWQS-ROUUACIJSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000404452697 416554919 /nfs/dbraw/zinc/55/49/19/416554919.db2.gz ZORZNHMVFFPARH-FZMZJTMJSA-N 2 1 252.427 3.006 20 0 CGADMP CCO[C@@H]1C[N@@H+]([C@H](CC)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000405770952 416559668 /nfs/dbraw/zinc/55/96/68/416559668.db2.gz JZHFOIOIHSRIQC-FVQBIDKESA-N 2 1 296.842 3.087 20 0 CGADMP CCO[C@@H]1C[N@H+]([C@H](CC)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000405770952 416559672 /nfs/dbraw/zinc/55/96/72/416559672.db2.gz JZHFOIOIHSRIQC-FVQBIDKESA-N 2 1 296.842 3.087 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC(C)C)cc2)CC[C@@H]1[NH3+] ZINC000122231212 416504857 /nfs/dbraw/zinc/50/48/57/416504857.db2.gz BGZAQMOWABLHES-WBVHZDCISA-N 2 1 276.424 3.033 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337529385 287347686 /nfs/dbraw/zinc/34/76/86/287347686.db2.gz UCSHQDVRZVYJAM-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(O)cc2)C1 ZINC000679393234 543633190 /nfs/dbraw/zinc/63/31/90/543633190.db2.gz IMCATLPADGDBMR-IYBDPMFKSA-N 2 1 290.451 3.240 20 0 CGADMP CC(C)[NH2+]C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000683783110 543941879 /nfs/dbraw/zinc/94/18/79/543941879.db2.gz DHPGORUFGJOELI-KRWDZBQOSA-N 2 1 258.409 3.136 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000683889043 543950729 /nfs/dbraw/zinc/95/07/29/543950729.db2.gz TYOXVEVLWITVAI-UONOGXRCSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000683889043 543950731 /nfs/dbraw/zinc/95/07/31/543950731.db2.gz TYOXVEVLWITVAI-UONOGXRCSA-N 2 1 293.480 3.194 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](OC)C1)CC(C)C ZINC000684367238 543986541 /nfs/dbraw/zinc/98/65/41/543986541.db2.gz LWFDXFJOMKUJBR-YESZJQIVSA-N 2 1 284.488 3.290 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(C)C)C2)s1 ZINC000685412634 544065772 /nfs/dbraw/zinc/06/57/72/544065772.db2.gz UJKGNXAEBKWENB-OAHLLOKOSA-N 2 1 280.481 3.466 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(C)C)C2)s1 ZINC000685412634 544065773 /nfs/dbraw/zinc/06/57/73/544065773.db2.gz UJKGNXAEBKWENB-OAHLLOKOSA-N 2 1 280.481 3.466 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(C)C)C2)s1 ZINC000685412634 544065777 /nfs/dbraw/zinc/06/57/77/544065777.db2.gz UJKGNXAEBKWENB-OAHLLOKOSA-N 2 1 280.481 3.466 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(C)C)C2)s1 ZINC000685412634 544065781 /nfs/dbraw/zinc/06/57/81/544065781.db2.gz UJKGNXAEBKWENB-OAHLLOKOSA-N 2 1 280.481 3.466 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C\c2ccc(F)cc2)C1 ZINC000685470750 544076944 /nfs/dbraw/zinc/07/69/44/544076944.db2.gz PUNIKRUQUDUBQB-AFFPJUMTSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C\c2ccc(F)cc2)C1 ZINC000685470750 544076946 /nfs/dbraw/zinc/07/69/46/544076946.db2.gz PUNIKRUQUDUBQB-AFFPJUMTSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C\c2ccc(F)cc2)C1 ZINC000685470750 544076949 /nfs/dbraw/zinc/07/69/49/544076949.db2.gz PUNIKRUQUDUBQB-AFFPJUMTSA-N 2 1 288.410 3.255 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2cnccc2c1 ZINC000685470271 544077261 /nfs/dbraw/zinc/07/72/61/544077261.db2.gz CROXAUIGOYJNFH-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2cnccc2c1 ZINC000685470271 544077267 /nfs/dbraw/zinc/07/72/67/544077267.db2.gz CROXAUIGOYJNFH-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2cnccc2c1 ZINC000685470271 544077268 /nfs/dbraw/zinc/07/72/68/544077268.db2.gz CROXAUIGOYJNFH-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000685470271 544077270 /nfs/dbraw/zinc/07/72/70/544077270.db2.gz CROXAUIGOYJNFH-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1C1CC1 ZINC000685470466 544077404 /nfs/dbraw/zinc/07/74/04/544077404.db2.gz SSFVRIKGMXLRIO-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1C1CC1 ZINC000685470466 544077406 /nfs/dbraw/zinc/07/74/06/544077406.db2.gz SSFVRIKGMXLRIO-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1C1CC1 ZINC000685470466 544077408 /nfs/dbraw/zinc/07/74/08/544077408.db2.gz SSFVRIKGMXLRIO-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1C1CC1 ZINC000685470466 544077411 /nfs/dbraw/zinc/07/74/11/544077411.db2.gz SSFVRIKGMXLRIO-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2coc3ccccc23)C1 ZINC000685470765 544077718 /nfs/dbraw/zinc/07/77/18/544077718.db2.gz QNAXHBFDRQXUFX-PBHICJAKSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2coc3ccccc23)C1 ZINC000685470765 544077719 /nfs/dbraw/zinc/07/77/19/544077719.db2.gz QNAXHBFDRQXUFX-PBHICJAKSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000685470765 544077721 /nfs/dbraw/zinc/07/77/21/544077721.db2.gz QNAXHBFDRQXUFX-PBHICJAKSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCc2cccnc21)C(C)(C)C ZINC000684956876 544044370 /nfs/dbraw/zinc/04/43/70/544044370.db2.gz KCXGVQAEZYZNCH-CVEARBPZSA-N 2 1 289.467 3.415 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000685626117 544089934 /nfs/dbraw/zinc/08/99/34/544089934.db2.gz AGQZECQORYMRIC-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000685626117 544089936 /nfs/dbraw/zinc/08/99/36/544089936.db2.gz AGQZECQORYMRIC-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000685658048 544093247 /nfs/dbraw/zinc/09/32/47/544093247.db2.gz BDLKFRAMIWHILV-UONOGXRCSA-N 2 1 268.470 3.389 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000685658048 544093248 /nfs/dbraw/zinc/09/32/48/544093248.db2.gz BDLKFRAMIWHILV-UONOGXRCSA-N 2 1 268.470 3.389 20 0 CGADMP CC(C)[C@@H](C[NH2+]CC1Cc2ccccc2C1)[NH+]1CCCC1 ZINC000685839745 544100519 /nfs/dbraw/zinc/10/05/19/544100519.db2.gz AISKMIRQOYPGGE-LJQANCHMSA-N 2 1 286.463 3.111 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1O ZINC000652222261 418937202 /nfs/dbraw/zinc/93/72/02/418937202.db2.gz IYFRMJWRFSEZDV-AWEZNQCLSA-N 2 1 294.439 3.029 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1O ZINC000652222261 418937204 /nfs/dbraw/zinc/93/72/04/418937204.db2.gz IYFRMJWRFSEZDV-AWEZNQCLSA-N 2 1 294.439 3.029 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000652222287 418937557 /nfs/dbraw/zinc/93/75/57/418937557.db2.gz JOIQUWNVQDFTEJ-QGZVFWFLSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000652222287 418937558 /nfs/dbraw/zinc/93/75/58/418937558.db2.gz JOIQUWNVQDFTEJ-QGZVFWFLSA-N 2 1 293.430 3.239 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(C)n1 ZINC000652222598 418938029 /nfs/dbraw/zinc/93/80/29/418938029.db2.gz SNFCXYQWQCASPS-HNNXBMFYSA-N 2 1 277.456 3.327 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(C)n1 ZINC000652222598 418938033 /nfs/dbraw/zinc/93/80/33/418938033.db2.gz SNFCXYQWQCASPS-HNNXBMFYSA-N 2 1 277.456 3.327 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000652238178 418939333 /nfs/dbraw/zinc/93/93/33/418939333.db2.gz WFNLJRTZLASCIU-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658337329 418941250 /nfs/dbraw/zinc/94/12/50/418941250.db2.gz GBTFQZAJKZQOCH-MPGHIAIKSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658337329 418941252 /nfs/dbraw/zinc/94/12/52/418941252.db2.gz GBTFQZAJKZQOCH-MPGHIAIKSA-N 2 1 272.436 3.445 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348878 418956578 /nfs/dbraw/zinc/95/65/78/418956578.db2.gz ULNQKQQVWIYHKX-JYJNAYRXSA-N 2 1 282.472 3.031 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CO1 ZINC000659876606 419025996 /nfs/dbraw/zinc/02/59/96/419025996.db2.gz CLEJPZBTYVOMML-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000659963718 419047346 /nfs/dbraw/zinc/04/73/46/419047346.db2.gz XXPXDFBZRMMHJQ-KBPBESRZSA-N 2 1 276.415 3.474 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000659963718 419047349 /nfs/dbraw/zinc/04/73/49/419047349.db2.gz XXPXDFBZRMMHJQ-KBPBESRZSA-N 2 1 276.415 3.474 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000659963718 419047352 /nfs/dbraw/zinc/04/73/52/419047352.db2.gz XXPXDFBZRMMHJQ-KBPBESRZSA-N 2 1 276.415 3.474 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2c(F)cccc2F)CC[N@@H+]1C ZINC000653564782 419049506 /nfs/dbraw/zinc/04/95/06/419049506.db2.gz LSXABYRDNJATCQ-KBPBESRZSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2c(F)cccc2F)CC[N@H+]1C ZINC000653564782 419049510 /nfs/dbraw/zinc/04/95/10/419049510.db2.gz LSXABYRDNJATCQ-KBPBESRZSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2c(F)cccc2F)CC[NH+]1C ZINC000653564782 419049514 /nfs/dbraw/zinc/04/95/14/419049514.db2.gz LSXABYRDNJATCQ-KBPBESRZSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2c(F)cccc2F)CC[NH+]1C ZINC000653564782 419049516 /nfs/dbraw/zinc/04/95/16/419049516.db2.gz LSXABYRDNJATCQ-KBPBESRZSA-N 2 1 296.405 3.312 20 0 CGADMP CO[C@H](C[N@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000660117109 419080784 /nfs/dbraw/zinc/08/07/84/419080784.db2.gz MBRHIDVQLHMDPI-QGZVFWFLSA-N 2 1 293.455 3.109 20 0 CGADMP CO[C@H](C[N@@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000660117109 419080787 /nfs/dbraw/zinc/08/07/87/419080787.db2.gz MBRHIDVQLHMDPI-QGZVFWFLSA-N 2 1 293.455 3.109 20 0 CGADMP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCc2ccccc21 ZINC000653778931 419084544 /nfs/dbraw/zinc/08/45/44/419084544.db2.gz JFVIBHQXMJROAC-OAHLLOKOSA-N 2 1 283.419 3.015 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCc2ccccc21 ZINC000653778931 419084548 /nfs/dbraw/zinc/08/45/48/419084548.db2.gz JFVIBHQXMJROAC-OAHLLOKOSA-N 2 1 283.419 3.015 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2occc2c1 ZINC000665237937 419088520 /nfs/dbraw/zinc/08/85/20/419088520.db2.gz MINMCPSHOIDGBC-KSSFIOAISA-N 2 1 294.398 3.481 20 0 CGADMP C[C@@H](CCCC[NH3+])[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000665237426 419088684 /nfs/dbraw/zinc/08/86/84/419088684.db2.gz ANWGDTUCNWSJSK-NSHDSACASA-N 2 1 274.330 3.025 20 0 CGADMP C[C@H]([NH2+]CC1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000665239398 419089379 /nfs/dbraw/zinc/08/93/79/419089379.db2.gz SNVRAULFLIKUPY-UPJWGTAASA-N 2 1 261.413 3.217 20 0 CGADMP CCC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccsc1 ZINC000665248179 419089821 /nfs/dbraw/zinc/08/98/21/419089821.db2.gz QZGBXDKHRXTGBE-ZDUSSCGKSA-N 2 1 252.427 3.450 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2CC=CC2)CC1 ZINC000660156771 419090562 /nfs/dbraw/zinc/09/05/62/419090562.db2.gz HSGKOKJDSBERFM-UHFFFAOYSA-N 2 1 294.483 3.023 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(-c2ccccc2)nn1C ZINC000665246320 419091206 /nfs/dbraw/zinc/09/12/06/419091206.db2.gz BOQKVQNFJZMPQD-CQSZACIVSA-N 2 1 298.434 3.009 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc(C)c1F ZINC000665249187 419092444 /nfs/dbraw/zinc/09/24/44/419092444.db2.gz KSBOMORTYRHNIH-ZDUSSCGKSA-N 2 1 264.388 3.365 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249818 419093112 /nfs/dbraw/zinc/09/31/12/419093112.db2.gz ZWABMHIAJOZJHY-NSHDSACASA-N 2 1 281.469 3.497 20 0 CGADMP CC1(C)CCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771174 419093182 /nfs/dbraw/zinc/09/31/82/419093182.db2.gz BZEDZLKDHLBSHR-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000665257384 419095581 /nfs/dbraw/zinc/09/55/81/419095581.db2.gz HTXFHNPTPSWVTL-IXDOHACOSA-N 2 1 276.399 3.049 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000665297484 419110453 /nfs/dbraw/zinc/11/04/53/419110453.db2.gz GYXVWBLHZJYRDK-SRVKXCTJSA-N 2 1 254.805 3.030 20 0 CGADMP C[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC2(CCCCC2)O1 ZINC000653908642 419110480 /nfs/dbraw/zinc/11/04/80/419110480.db2.gz RGBIELPDPBKYFG-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC2(CCCCC2)O1 ZINC000653908642 419110483 /nfs/dbraw/zinc/11/04/83/419110483.db2.gz RGBIELPDPBKYFG-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC2(CCCCC2)O1 ZINC000653908642 419110487 /nfs/dbraw/zinc/11/04/87/419110487.db2.gz RGBIELPDPBKYFG-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC2(CCCCC2)O1 ZINC000653908642 419110491 /nfs/dbraw/zinc/11/04/91/419110491.db2.gz RGBIELPDPBKYFG-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC2(CCCCC2)O1 ZINC000653908642 419110494 /nfs/dbraw/zinc/11/04/94/419110494.db2.gz RGBIELPDPBKYFG-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1c[nH+]ccc1N ZINC000665301329 419112188 /nfs/dbraw/zinc/11/21/88/419112188.db2.gz VANNWGHIXFEEKH-SECBINFHSA-N 2 1 275.318 3.123 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982734 419051328 /nfs/dbraw/zinc/05/13/28/419051328.db2.gz VTNAIJYTTKYEKT-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982734 419051334 /nfs/dbraw/zinc/05/13/34/419051334.db2.gz VTNAIJYTTKYEKT-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982734 419051339 /nfs/dbraw/zinc/05/13/39/419051339.db2.gz VTNAIJYTTKYEKT-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659989737 419057295 /nfs/dbraw/zinc/05/72/95/419057295.db2.gz SDAFMHQWVMZTJC-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659989737 419057296 /nfs/dbraw/zinc/05/72/96/419057296.db2.gz SDAFMHQWVMZTJC-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000660010724 419062299 /nfs/dbraw/zinc/06/22/99/419062299.db2.gz LKGIPBLQKVBEOR-HZSPNIEDSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000660010724 419062302 /nfs/dbraw/zinc/06/23/02/419062302.db2.gz LKGIPBLQKVBEOR-HZSPNIEDSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000660010724 419062306 /nfs/dbraw/zinc/06/23/06/419062306.db2.gz LKGIPBLQKVBEOR-HZSPNIEDSA-N 2 1 274.399 3.084 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000655682957 419063527 /nfs/dbraw/zinc/06/35/27/419063527.db2.gz OCNBQZNOINFZTP-KFWWJZLASA-N 2 1 270.486 3.125 20 0 CGADMP Cc1ncncc1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000655695571 419067507 /nfs/dbraw/zinc/06/75/07/419067507.db2.gz NJDOOKZEACWHKI-CQSZACIVSA-N 2 1 290.455 3.090 20 0 CGADMP Cc1ncncc1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000655695571 419067509 /nfs/dbraw/zinc/06/75/09/419067509.db2.gz NJDOOKZEACWHKI-CQSZACIVSA-N 2 1 290.455 3.090 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cc(C)cc(C)c21 ZINC000655713539 419074398 /nfs/dbraw/zinc/07/43/98/419074398.db2.gz QJHTUDUKJFDTEF-MRXNPFEDSA-N 2 1 269.392 3.085 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941348 419129404 /nfs/dbraw/zinc/12/94/04/419129404.db2.gz RBOPIOJMMXWADS-GJZGRUSLSA-N 2 1 292.854 3.470 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCc1c(F)cccc1F ZINC000655938627 419129679 /nfs/dbraw/zinc/12/96/79/419129679.db2.gz ZFCVPKLUKRSOHR-INIZCTEOSA-N 2 1 284.394 3.203 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@H]3C[C@@H]([NH+](C)C)C3)c2c1 ZINC000656211577 419151712 /nfs/dbraw/zinc/15/17/12/419151712.db2.gz WHBZITCRKBRRBT-OTVXOJSOSA-N 2 1 269.392 3.295 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000660665625 419178845 /nfs/dbraw/zinc/17/88/45/419178845.db2.gz WVHDWECFLNCIMP-FHWLQOOXSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000660665625 419178848 /nfs/dbraw/zinc/17/88/48/419178848.db2.gz WVHDWECFLNCIMP-FHWLQOOXSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000660665625 419178850 /nfs/dbraw/zinc/17/88/50/419178850.db2.gz WVHDWECFLNCIMP-FHWLQOOXSA-N 2 1 284.447 3.208 20 0 CGADMP Cc1cccc(CCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660664813 419179502 /nfs/dbraw/zinc/17/95/02/419179502.db2.gz SWITYKJWZIGBMZ-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660664813 419179504 /nfs/dbraw/zinc/17/95/04/419179504.db2.gz SWITYKJWZIGBMZ-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660664813 419179507 /nfs/dbraw/zinc/17/95/07/419179507.db2.gz SWITYKJWZIGBMZ-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660661767 419179549 /nfs/dbraw/zinc/17/95/49/419179549.db2.gz GFMIZGBYPXAWMS-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660661767 419179550 /nfs/dbraw/zinc/17/95/50/419179550.db2.gz GFMIZGBYPXAWMS-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660661767 419179553 /nfs/dbraw/zinc/17/95/53/419179553.db2.gz GFMIZGBYPXAWMS-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1ccsc1)C2 ZINC000660665095 419179657 /nfs/dbraw/zinc/17/96/57/419179657.db2.gz UBRBCRMFCVCNHF-MRXNPFEDSA-N 2 1 278.465 3.098 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660663693 419179712 /nfs/dbraw/zinc/17/97/12/419179712.db2.gz PFMGYKRVQBOTHB-HZPDHXFCSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660663693 419179713 /nfs/dbraw/zinc/17/97/13/419179713.db2.gz PFMGYKRVQBOTHB-HZPDHXFCSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660663693 419179715 /nfs/dbraw/zinc/17/97/15/419179715.db2.gz PFMGYKRVQBOTHB-HZPDHXFCSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1cc(C(F)(F)F)cc(N(C)CC[C@H]([NH3+])C(C)C)[nH+]1 ZINC000656606680 419185969 /nfs/dbraw/zinc/18/59/69/419185969.db2.gz WCDIVISBDFVZIS-LBPRGKRZSA-N 2 1 289.345 3.218 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(C)c1 ZINC000657304394 419246231 /nfs/dbraw/zinc/24/62/31/419246231.db2.gz GWGCUFBETPEZPC-UHFFFAOYSA-N 2 1 278.440 3.214 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)c(C)c1 ZINC000657304394 419246232 /nfs/dbraw/zinc/24/62/32/419246232.db2.gz GWGCUFBETPEZPC-UHFFFAOYSA-N 2 1 278.440 3.214 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]CCC[N@@H+](C)C(C)C)cc21 ZINC000657306108 419246520 /nfs/dbraw/zinc/24/65/20/419246520.db2.gz YIENHEYCMJGJOG-UHFFFAOYSA-N 2 1 273.424 3.296 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]CCC[N@H+](C)C(C)C)cc21 ZINC000657306108 419246522 /nfs/dbraw/zinc/24/65/22/419246522.db2.gz YIENHEYCMJGJOG-UHFFFAOYSA-N 2 1 273.424 3.296 20 0 CGADMP CCCCOc1cccc(CNCc2cnc3n2CCC3)c1 ZINC000657312384 419248522 /nfs/dbraw/zinc/24/85/22/419248522.db2.gz HZHWMBOKDWYUKH-UHFFFAOYSA-N 2 1 299.418 3.298 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657346479 419256521 /nfs/dbraw/zinc/25/65/21/419256521.db2.gz CXEPAJMFHYUPOQ-CYBMUJFWSA-N 2 1 296.418 3.407 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cscc2Cl)C1 ZINC000657182799 419230203 /nfs/dbraw/zinc/23/02/03/419230203.db2.gz UVCKTOUXXWXJET-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](CC)C2CCCCC2)CO1 ZINC000657499515 419295640 /nfs/dbraw/zinc/29/56/40/419295640.db2.gz AVSVPIZLRYELJG-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP COc1ccccc1/C=C\CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525519 419297256 /nfs/dbraw/zinc/29/72/56/419297256.db2.gz RUXWFUIOSJBJME-GQSKFBFOSA-N 2 1 288.435 3.171 20 0 CGADMP COc1ccccc1/C=C\CNC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525519 419297257 /nfs/dbraw/zinc/29/72/57/419297257.db2.gz RUXWFUIOSJBJME-GQSKFBFOSA-N 2 1 288.435 3.171 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)CC[N@@H+]1Cc1ccccc1 ZINC000657654748 419319306 /nfs/dbraw/zinc/31/93/06/419319306.db2.gz ZUEYKVRBQLZVOU-APWZRJJASA-N 2 1 298.430 3.465 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)CC[N@H+]1Cc1ccccc1 ZINC000657654748 419319308 /nfs/dbraw/zinc/31/93/08/419319308.db2.gz ZUEYKVRBQLZVOU-APWZRJJASA-N 2 1 298.430 3.465 20 0 CGADMP COCC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678697 419326704 /nfs/dbraw/zinc/32/67/04/419326704.db2.gz UPNQKXXBWQRCGN-JCYILVPMSA-N 2 1 294.483 3.188 20 0 CGADMP COCC1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678697 419326706 /nfs/dbraw/zinc/32/67/06/419326706.db2.gz UPNQKXXBWQRCGN-JCYILVPMSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678959 419326912 /nfs/dbraw/zinc/32/69/12/419326912.db2.gz XIZJYERNWXXIQJ-FMKPAKJESA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657678959 419326913 /nfs/dbraw/zinc/32/69/13/419326913.db2.gz XIZJYERNWXXIQJ-FMKPAKJESA-N 2 1 250.430 3.172 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCc2ccccc21 ZINC000662198920 419359642 /nfs/dbraw/zinc/35/96/42/419359642.db2.gz XNPKSPJLCQPFMZ-IAGOWNOFSA-N 2 1 272.436 3.133 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCc2ccccc21 ZINC000662198920 419359646 /nfs/dbraw/zinc/35/96/46/419359646.db2.gz XNPKSPJLCQPFMZ-IAGOWNOFSA-N 2 1 272.436 3.133 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CCc2ccccc21 ZINC000662198920 419359651 /nfs/dbraw/zinc/35/96/51/419359651.db2.gz XNPKSPJLCQPFMZ-IAGOWNOFSA-N 2 1 272.436 3.133 20 0 CGADMP C(C[N@H+]1CC[C@H](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662306002 419387713 /nfs/dbraw/zinc/38/77/13/419387713.db2.gz NFSFZJXDXHDLAM-KRWDZBQOSA-N 2 1 264.457 3.278 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)[C@@H]1CCC[NH3+] ZINC000662313238 419389091 /nfs/dbraw/zinc/38/90/91/419389091.db2.gz HMXRXYBKKHKJPQ-MLGOLLRUSA-N 2 1 282.378 3.304 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000657883273 419402947 /nfs/dbraw/zinc/40/29/47/419402947.db2.gz ZZYFGLJGSODYPX-LSDHHAIUSA-N 2 1 270.486 3.126 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000657883273 419402952 /nfs/dbraw/zinc/40/29/52/419402952.db2.gz ZZYFGLJGSODYPX-LSDHHAIUSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662252741 419372072 /nfs/dbraw/zinc/37/20/72/419372072.db2.gz SPXDPJRMWVBLAN-ZDUSSCGKSA-N 2 1 270.420 3.095 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000662264062 419376005 /nfs/dbraw/zinc/37/60/05/419376005.db2.gz APHZOXYITAKKNB-BHIYHBOVSA-N 2 1 284.447 3.256 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662263159 419376385 /nfs/dbraw/zinc/37/63/85/419376385.db2.gz IBFUQVWBTRCKAX-UONOGXRCSA-N 2 1 274.399 3.276 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+]1CCCC1 ZINC000657834296 419378822 /nfs/dbraw/zinc/37/88/22/419378822.db2.gz RHRAUPWDCQMHAU-QWHCGFSZSA-N 2 1 276.415 3.376 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+]1CCCC1 ZINC000657834058 419379213 /nfs/dbraw/zinc/37/92/13/419379213.db2.gz YWYJNDSIUNSIMR-NWDGAFQWSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(CF)(CF)C1 ZINC000657838304 419380792 /nfs/dbraw/zinc/38/07/92/419380792.db2.gz QRMUEHJLVZWAMP-CQSZACIVSA-N 2 1 288.426 3.318 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)CC(F)F ZINC000662277348 419381626 /nfs/dbraw/zinc/38/16/26/419381626.db2.gz PZXALURJABIODN-AAEUAGOBSA-N 2 1 262.388 3.165 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)CC(F)F ZINC000662277355 419382404 /nfs/dbraw/zinc/38/24/04/419382404.db2.gz PZXALURJABIODN-YPMHNXCESA-N 2 1 262.388 3.165 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000662273599 419382491 /nfs/dbraw/zinc/38/24/91/419382491.db2.gz PCXMTVHUEDZISQ-KRWDZBQOSA-N 2 1 260.425 3.155 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273035 419382833 /nfs/dbraw/zinc/38/28/33/419382833.db2.gz JSOGCDCWNGAZCX-ZKXLYKBJSA-N 2 1 276.468 3.134 20 0 CGADMP CC(C)=CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291824 419385134 /nfs/dbraw/zinc/38/51/34/419385134.db2.gz ABGKQJGWCSVXGG-MRXNPFEDSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292155 419385737 /nfs/dbraw/zinc/38/57/37/419385737.db2.gz CAGJGFWGDMZXPN-SNVBAGLBSA-N 2 1 272.339 3.018 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292155 419385743 /nfs/dbraw/zinc/38/57/43/419385743.db2.gz CAGJGFWGDMZXPN-SNVBAGLBSA-N 2 1 272.339 3.018 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662294265 419386263 /nfs/dbraw/zinc/38/62/63/419386263.db2.gz JYHGHBPJKXRFAS-JTQLQIEISA-N 2 1 285.229 3.179 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294265 419386266 /nfs/dbraw/zinc/38/62/66/419386266.db2.gz JYHGHBPJKXRFAS-JTQLQIEISA-N 2 1 285.229 3.179 20 0 CGADMP Fc1ccccc1C[N@@H+](CCC1CC[NH2+]CC1)CC1CC1 ZINC000662310623 419387177 /nfs/dbraw/zinc/38/71/77/419387177.db2.gz LRXZZINJSLWVDZ-UHFFFAOYSA-N 2 1 290.426 3.427 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657932989 419447794 /nfs/dbraw/zinc/44/77/94/419447794.db2.gz YFAXUAOUIHQMLZ-CVEARBPZSA-N 2 1 284.513 3.230 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000658077199 419546406 /nfs/dbraw/zinc/54/64/06/419546406.db2.gz OZPAVTBDJYZDSS-MRXNPFEDSA-N 2 1 278.415 3.221 20 0 CGADMP C([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000663347663 419565986 /nfs/dbraw/zinc/56/59/86/419565986.db2.gz ROKCCZMJECXFNZ-QGZVFWFLSA-N 2 1 264.457 3.278 20 0 CGADMP C[C@H](CNc1[nH+]ccc2[nH]ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000663389956 419586582 /nfs/dbraw/zinc/58/65/82/419586582.db2.gz ZZKYWDPIWPAMBW-CHWSQXEVSA-N 2 1 272.396 3.095 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663466249 419614258 /nfs/dbraw/zinc/61/42/58/419614258.db2.gz PXIHHCFJUUHLDB-WBVHZDCISA-N 2 1 287.451 3.163 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465214 419615236 /nfs/dbraw/zinc/61/52/36/419615236.db2.gz IQDMIIBITJYKIP-AEFFLSMTSA-N 2 1 299.462 3.171 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465214 419615242 /nfs/dbraw/zinc/61/52/42/419615242.db2.gz IQDMIIBITJYKIP-AEFFLSMTSA-N 2 1 299.462 3.171 20 0 CGADMP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465579 419618095 /nfs/dbraw/zinc/61/80/95/419618095.db2.gz KQFUKYDNRWPECK-RYQLBKOJSA-N 2 1 276.468 3.277 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467730 419618768 /nfs/dbraw/zinc/61/87/68/419618768.db2.gz HQCKVIUNGGHQLG-NVXWUHKLSA-N 2 1 290.451 3.312 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1 ZINC000663468072 419622224 /nfs/dbraw/zinc/62/22/24/419622224.db2.gz KEXBSIIXZOJDPO-GOEBONIOSA-N 2 1 288.435 3.165 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1 ZINC000663468072 419622227 /nfs/dbraw/zinc/62/22/27/419622227.db2.gz KEXBSIIXZOJDPO-GOEBONIOSA-N 2 1 288.435 3.165 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467728 419622273 /nfs/dbraw/zinc/62/22/73/419622273.db2.gz HQCKVIUNGGHQLG-DOTOQJQBSA-N 2 1 290.451 3.312 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCC1 ZINC000663466512 419622422 /nfs/dbraw/zinc/62/24/22/419622422.db2.gz UYAAFGLDXNMZMP-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000663514437 419641330 /nfs/dbraw/zinc/64/13/30/419641330.db2.gz RKRUDCBQRZBZLK-GHMZBOCLSA-N 2 1 274.330 3.006 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)Nc1[nH+]ccc2[nH]ccc21 ZINC000663925317 419760715 /nfs/dbraw/zinc/76/07/15/419760715.db2.gz WOTHQHREQDSGMO-LBPRGKRZSA-N 2 1 260.385 3.095 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)CC[N@@H+]1C ZINC000658264325 419718185 /nfs/dbraw/zinc/71/81/85/419718185.db2.gz FMORGFJYWIDQGN-ZIHBUVQPSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)CC[N@H+]1C ZINC000658264325 419718191 /nfs/dbraw/zinc/71/81/91/419718191.db2.gz FMORGFJYWIDQGN-ZIHBUVQPSA-N 2 1 272.383 3.027 20 0 CGADMP c1ccc([C@H]2CC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000658264319 419719597 /nfs/dbraw/zinc/71/95/97/419719597.db2.gz QIMPKCMYEVYAFR-QZTJIDSGSA-N 2 1 270.420 3.149 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H]2CCC[C@H]21 ZINC000658264242 419719669 /nfs/dbraw/zinc/71/96/69/419719669.db2.gz DRVSCQTXFVDTGT-KEPFICHZSA-N 2 1 298.421 3.417 20 0 CGADMP C[N@H+](CCCCNc1[nH+]ccc2c(N)cccc21)C1CC1 ZINC000663993787 419791089 /nfs/dbraw/zinc/79/10/89/419791089.db2.gz MWEBODBGAWRPBG-UHFFFAOYSA-N 2 1 284.407 3.103 20 0 CGADMP C[N@@H+](CCCCNc1[nH+]ccc2c(N)cccc21)C1CC1 ZINC000663993787 419791095 /nfs/dbraw/zinc/79/10/95/419791095.db2.gz MWEBODBGAWRPBG-UHFFFAOYSA-N 2 1 284.407 3.103 20 0 CGADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCC2)cnn1C(C)(C)C ZINC000191132299 287587625 /nfs/dbraw/zinc/58/76/25/287587625.db2.gz SGPGSAFXHAAIKQ-AWEZNQCLSA-N 2 1 292.471 3.083 20 0 CGADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000180013501 260087445 /nfs/dbraw/zinc/08/74/45/260087445.db2.gz ZLFDGIIMOLNBKV-QGZVFWFLSA-N 2 1 292.492 3.487 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000322467938 261292343 /nfs/dbraw/zinc/29/23/43/261292343.db2.gz NNZWWZQJJXSQRL-CZUORRHYSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCC4)C[C@@H]3C2)cc1 ZINC000390795031 262346602 /nfs/dbraw/zinc/34/66/02/262346602.db2.gz IOGGTEPNCBMXEJ-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCC4)C[C@@H]3C2)cc1 ZINC000390795031 262346603 /nfs/dbraw/zinc/34/66/03/262346603.db2.gz IOGGTEPNCBMXEJ-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCC4)C[C@@H]3C2)cc1 ZINC000390795031 262346604 /nfs/dbraw/zinc/34/66/04/262346604.db2.gz IOGGTEPNCBMXEJ-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000271829867 263000012 /nfs/dbraw/zinc/00/00/12/263000012.db2.gz DTVYXPKJPAPSMA-QZTJIDSGSA-N 2 1 270.420 3.174 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000291686086 263124772 /nfs/dbraw/zinc/12/47/72/263124772.db2.gz IIOKHPMNRPZWCU-CYBMUJFWSA-N 2 1 297.393 3.453 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000036907998 270028377 /nfs/dbraw/zinc/02/83/77/270028377.db2.gz UKEUGKKNKDGJMS-IJEWVQPXSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044534223 270036075 /nfs/dbraw/zinc/03/60/75/270036075.db2.gz VJQZDLBQVPFJHF-OAHLLOKOSA-N 2 1 254.462 3.379 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000044535865 270036453 /nfs/dbraw/zinc/03/64/53/270036453.db2.gz YYPZEJDAIWJLHX-LBPRGKRZSA-N 2 1 286.341 3.137 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535375 270036485 /nfs/dbraw/zinc/03/64/85/270036485.db2.gz CEODWPWPNURTDA-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H](C[NH2+]CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000105838412 270047926 /nfs/dbraw/zinc/04/79/26/270047926.db2.gz YUJPUOSRMOCKER-HNNXBMFYSA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cccc(F)c2)[C@H](C)C1 ZINC000182880613 270054329 /nfs/dbraw/zinc/05/43/29/270054329.db2.gz WUTFMXDWROVYSW-QAPCUYQASA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cccc(F)c2)[C@H](C)C1 ZINC000182880613 270054330 /nfs/dbraw/zinc/05/43/30/270054330.db2.gz WUTFMXDWROVYSW-QAPCUYQASA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cccc(F)c2)[C@H](C)C1 ZINC000182880613 270054331 /nfs/dbraw/zinc/05/43/31/270054331.db2.gz WUTFMXDWROVYSW-QAPCUYQASA-N 2 1 292.442 3.420 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000187119579 270067802 /nfs/dbraw/zinc/06/78/02/270067802.db2.gz LNIWJCPZISMVTO-KRWDZBQOSA-N 2 1 272.436 3.213 20 0 CGADMP CCC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000223193654 270086122 /nfs/dbraw/zinc/08/61/22/270086122.db2.gz AKIRLIWNCIZDPT-SLTXQBBLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527861048 270140202 /nfs/dbraw/zinc/14/02/02/270140202.db2.gz XAQPFXBUQHVTHU-QXAKKESOSA-N 2 1 298.474 3.329 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527904707 270143246 /nfs/dbraw/zinc/14/32/46/270143246.db2.gz PUIDJVKAGNFWGV-PMPSAXMXSA-N 2 1 264.457 3.275 20 0 CGADMP CC1(C)CCC[C@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527920864 270144193 /nfs/dbraw/zinc/14/41/93/270144193.db2.gz ZELGWBKFVFVNJH-AWEZNQCLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527933929 270145423 /nfs/dbraw/zinc/14/54/23/270145423.db2.gz UPUBIVLEUBGXFD-BEFAXECRSA-N 2 1 286.463 3.111 20 0 CGADMP c1ccc2c(c1)CCC(C[NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000527934046 270145510 /nfs/dbraw/zinc/14/55/10/270145510.db2.gz VLNRAVSHPWDKRB-UHFFFAOYSA-N 2 1 298.474 3.398 20 0 CGADMP c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217227 270196012 /nfs/dbraw/zinc/19/60/12/270196012.db2.gz FRPNZJAPFRJWNZ-IAGOWNOFSA-N 2 1 270.420 3.402 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530245325 270197356 /nfs/dbraw/zinc/19/73/56/270197356.db2.gz WDCHQHGJRIZEAZ-ZBFHGGJFSA-N 2 1 258.409 3.054 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000531682951 270208558 /nfs/dbraw/zinc/20/85/58/270208558.db2.gz WHCDOLIBAIEVNM-FUHWJXTLSA-N 2 1 296.499 3.293 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](CC)C1CCOCC1 ZINC000532215146 270214453 /nfs/dbraw/zinc/21/44/53/270214453.db2.gz IXWIAZSFPQCYNT-ROUUACIJSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](CC)C1CCOCC1 ZINC000532215146 270214454 /nfs/dbraw/zinc/21/44/54/270214454.db2.gz IXWIAZSFPQCYNT-ROUUACIJSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)[C@H](C)[NH3+] ZINC000423446493 274258745 /nfs/dbraw/zinc/25/87/45/274258745.db2.gz OEJUICSYDFOSEJ-HHURGBBESA-N 2 1 273.207 3.306 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCc2c(Cl)cccc21)[C@H](C)[NH3+] ZINC000423454506 274261762 /nfs/dbraw/zinc/26/17/62/274261762.db2.gz ZGIXTWGGVOELHS-RBZYPMLTSA-N 2 1 252.789 3.043 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257738682 274276394 /nfs/dbraw/zinc/27/63/94/274276394.db2.gz SDMOEZXORXIIAF-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257738682 274276396 /nfs/dbraw/zinc/27/63/96/274276396.db2.gz SDMOEZXORXIIAF-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453239164 274334886 /nfs/dbraw/zinc/33/48/86/274334886.db2.gz SEQNTURVADNJQR-OAUYIBNBSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453239164 274334887 /nfs/dbraw/zinc/33/48/87/274334887.db2.gz SEQNTURVADNJQR-OAUYIBNBSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(C3CCC3)s2)C[C@@H]1C[NH3+] ZINC000422561423 274384795 /nfs/dbraw/zinc/38/47/95/274384795.db2.gz LEBXXCJKHGZNDM-BZPMIXESSA-N 2 1 293.480 3.216 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(C3CCC3)s2)C[C@@H]1C[NH3+] ZINC000422561423 274384796 /nfs/dbraw/zinc/38/47/96/274384796.db2.gz LEBXXCJKHGZNDM-BZPMIXESSA-N 2 1 293.480 3.216 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2cc(F)ccc21 ZINC000343612781 274386989 /nfs/dbraw/zinc/38/69/89/274386989.db2.gz QQSVNFZMICZAHJ-UKRRQHHQSA-N 2 1 299.393 3.437 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCCc3ccccc31)C2 ZINC000275502665 275072864 /nfs/dbraw/zinc/07/28/64/275072864.db2.gz JRBGBHYIGWHNGR-RHSMWYFYSA-N 2 1 281.403 3.113 20 0 CGADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000346986965 276000287 /nfs/dbraw/zinc/00/02/87/276000287.db2.gz QDMJDDRIVPKHOV-MRXNPFEDSA-N 2 1 278.415 3.080 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CS1 ZINC000488452838 276002243 /nfs/dbraw/zinc/00/22/43/276002243.db2.gz YNKFMEKTGQMAOM-PMPSAXMXSA-N 2 1 284.513 3.227 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453390678 276027374 /nfs/dbraw/zinc/02/73/74/276027374.db2.gz DAXZERLEUBIZAR-CVEARBPZSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000414877020 276039997 /nfs/dbraw/zinc/03/99/97/276039997.db2.gz FFXYAPFEHZYIFK-QGTPRVQTSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000271706321 276152008 /nfs/dbraw/zinc/15/20/08/276152008.db2.gz NMSHYAARQVGOAQ-GUYCJALGSA-N 2 1 258.409 3.309 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000149387677 276152032 /nfs/dbraw/zinc/15/20/32/276152032.db2.gz JZKGXKPGRJYYKH-KRWDZBQOSA-N 2 1 258.409 3.056 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328108 276221872 /nfs/dbraw/zinc/22/18/72/276221872.db2.gz IODIIDLQTLMMKW-TZMCWYRMSA-N 2 1 264.438 3.057 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472617 276308182 /nfs/dbraw/zinc/30/81/82/276308182.db2.gz MASYWHFPDQUCPB-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472617 276308183 /nfs/dbraw/zinc/30/81/83/276308183.db2.gz MASYWHFPDQUCPB-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472617 276308184 /nfs/dbraw/zinc/30/81/84/276308184.db2.gz MASYWHFPDQUCPB-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423200750 277023033 /nfs/dbraw/zinc/02/30/33/277023033.db2.gz NBJXGFLXJNAYBF-GFCCVEGCSA-N 2 1 273.207 3.180 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCC2)CC1 ZINC000367609374 277046306 /nfs/dbraw/zinc/04/63/06/277046306.db2.gz WMAHTSJSZTURKM-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP COC1CC[NH+](C2(C[NH2+]C3CCCCC3)CCCC2)CC1 ZINC000344480693 277194478 /nfs/dbraw/zinc/19/44/78/277194478.db2.gz GFUMFLRNCRKDIL-UHFFFAOYSA-N 2 1 294.483 3.332 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000246470791 277392276 /nfs/dbraw/zinc/39/22/76/277392276.db2.gz QLBIHZHYBVGSIX-CABCVRRESA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C[C@H]1C ZINC000414991686 277796963 /nfs/dbraw/zinc/79/69/63/277796963.db2.gz AQQYPEWWHYECIL-QPSCCSFWSA-N 2 1 288.426 3.282 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](C[NH2+]C)C2)C1 ZINC000394613770 288002866 /nfs/dbraw/zinc/00/28/66/288002866.db2.gz JXLZDLFGQOJKPY-OWCLPIDISA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395143209 288006484 /nfs/dbraw/zinc/00/64/84/288006484.db2.gz ISIRASCOVJJMRA-HOCLYGCPSA-N 2 1 252.446 3.406 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000395179447 288006861 /nfs/dbraw/zinc/00/68/61/288006861.db2.gz DGBAAFOAUPNXCV-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353521996 278145541 /nfs/dbraw/zinc/14/55/41/278145541.db2.gz RHXIRGZMBXEDDG-UYJHQMFVSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H](CC[NH2+][C@H]1COC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000396853016 288017135 /nfs/dbraw/zinc/01/71/35/288017135.db2.gz NCZOOKVBLLKSCR-NVXWUHKLSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000226331556 278228049 /nfs/dbraw/zinc/22/80/49/278228049.db2.gz AFEFNSQQJWYTRM-GMXVVIOVSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000226331556 278228050 /nfs/dbraw/zinc/22/80/50/278228050.db2.gz AFEFNSQQJWYTRM-GMXVVIOVSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000397433565 288023847 /nfs/dbraw/zinc/02/38/47/288023847.db2.gz FYWDNIYKKNJJMZ-FMKPAKJESA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000397433565 288023850 /nfs/dbraw/zinc/02/38/50/288023850.db2.gz FYWDNIYKKNJJMZ-FMKPAKJESA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1C[NH3+] ZINC000397433449 288023953 /nfs/dbraw/zinc/02/39/53/288023953.db2.gz FVGSUSOSJLCBMH-YCPHGPKFSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1C[NH3+] ZINC000397433449 288023955 /nfs/dbraw/zinc/02/39/55/288023955.db2.gz FVGSUSOSJLCBMH-YCPHGPKFSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866020 288033071 /nfs/dbraw/zinc/03/30/71/288033071.db2.gz GKQZEADTAHZMRD-MAUKXSAKSA-N 2 1 298.434 3.115 20 0 CGADMP C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866020 288033074 /nfs/dbraw/zinc/03/30/74/288033074.db2.gz GKQZEADTAHZMRD-MAUKXSAKSA-N 2 1 298.434 3.115 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc2ccccc21 ZINC000423284913 278379554 /nfs/dbraw/zinc/37/95/54/278379554.db2.gz XMVWIPJWPDEAOE-SJKOYZFVSA-N 2 1 254.377 3.228 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000484293432 288076641 /nfs/dbraw/zinc/07/66/41/288076641.db2.gz KTRWEYCRCTYVNH-SYQHCUMBSA-N 2 1 292.389 3.285 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000227534798 279101509 /nfs/dbraw/zinc/10/15/09/279101509.db2.gz WDZHDMXBFLZQAO-QGTPRVQTSA-N 2 1 289.467 3.231 20 0 CGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420301625 279130235 /nfs/dbraw/zinc/13/02/35/279130235.db2.gz LSEWHNBGSMWUMQ-OLZOCXBDSA-N 2 1 294.389 3.274 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126198 279132597 /nfs/dbraw/zinc/13/25/97/279132597.db2.gz HDILJNJHIBILFS-HIFPTAJRSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459746197 288101075 /nfs/dbraw/zinc/10/10/75/288101075.db2.gz ZBCOQBBTHICIEO-WBVHZDCISA-N 2 1 292.442 3.468 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453389355 280287443 /nfs/dbraw/zinc/28/74/43/280287443.db2.gz CEQRSEANTMUECQ-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[NH2+]C ZINC000435872247 281023659 /nfs/dbraw/zinc/02/36/59/281023659.db2.gz XQEDSKKATMRWLK-IAGOWNOFSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000414203391 281092689 /nfs/dbraw/zinc/09/26/89/281092689.db2.gz ZYDGBQZMNOELHA-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CC2 ZINC000453405935 281116918 /nfs/dbraw/zinc/11/69/18/281116918.db2.gz QYENSYZSDBNUHD-GOSISDBHSA-N 2 1 272.436 3.446 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000246039515 281125815 /nfs/dbraw/zinc/12/58/15/281125815.db2.gz AJAFSJVBZXTZJQ-QILLFSRXSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000246039515 281125817 /nfs/dbraw/zinc/12/58/17/281125817.db2.gz AJAFSJVBZXTZJQ-QILLFSRXSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000338739668 281170387 /nfs/dbraw/zinc/17/03/87/281170387.db2.gz CHPBPKCMRRTNBG-IBGZPJMESA-N 2 1 295.430 3.465 20 0 CGADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530407251 288305171 /nfs/dbraw/zinc/30/51/71/288305171.db2.gz IADFTNDTOVVJNM-YVEFUNNKSA-N 2 1 287.382 3.015 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152387319 281270244 /nfs/dbraw/zinc/27/02/44/281270244.db2.gz ZCGSSSKDVZQKAC-KSSFIOAISA-N 2 1 270.420 3.056 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420300062 281281130 /nfs/dbraw/zinc/28/11/30/281281130.db2.gz HALLWOCRRLHOBL-OCCSQVGLSA-N 2 1 264.438 3.057 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1(CC)CC ZINC000531995277 288349238 /nfs/dbraw/zinc/34/92/38/288349238.db2.gz LZDGOGJYLCQPPE-ZOFXXKQRSA-N 2 1 296.499 3.289 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000532194063 288354581 /nfs/dbraw/zinc/35/45/81/288354581.db2.gz BKSUVOCVRKAGIP-MAUKXSAKSA-N 2 1 288.479 3.456 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000532441042 288360757 /nfs/dbraw/zinc/36/07/57/288360757.db2.gz YUIVMIUIZLKNLI-LBPRGKRZSA-N 2 1 296.842 3.484 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000549139239 289035814 /nfs/dbraw/zinc/03/58/14/289035814.db2.gz URYZRUGNXVNYKM-MRXNPFEDSA-N 2 1 262.441 3.454 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236527 289038814 /nfs/dbraw/zinc/03/88/14/289038814.db2.gz CGTCJTDFKRSWGG-FZCLSBEQSA-N 2 1 274.452 3.499 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236527 289038815 /nfs/dbraw/zinc/03/88/15/289038815.db2.gz CGTCJTDFKRSWGG-FZCLSBEQSA-N 2 1 274.452 3.499 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000551006015 289094836 /nfs/dbraw/zinc/09/48/36/289094836.db2.gz OXKLQEOCWZXFJK-CVEARBPZSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000551006015 289094838 /nfs/dbraw/zinc/09/48/38/289094838.db2.gz OXKLQEOCWZXFJK-CVEARBPZSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000552038009 289152602 /nfs/dbraw/zinc/15/26/02/289152602.db2.gz AIPGPCZPXUANQN-OKZBNKHCSA-N 2 1 284.447 3.181 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000552162633 289169648 /nfs/dbraw/zinc/16/96/48/289169648.db2.gz UGDBMFNHSCEUTD-OAHLLOKOSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000555226662 289333856 /nfs/dbraw/zinc/33/38/56/289333856.db2.gz DTRRUGRRPGLDRT-SZMVWBNQSA-N 2 1 274.452 3.499 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000555226662 289333859 /nfs/dbraw/zinc/33/38/59/289333859.db2.gz DTRRUGRRPGLDRT-SZMVWBNQSA-N 2 1 274.452 3.499 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCC1CCCC1 ZINC000371294448 289334290 /nfs/dbraw/zinc/33/42/90/289334290.db2.gz KVLQHKUUIHLILU-SQNIBIBYSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000556202416 289377135 /nfs/dbraw/zinc/37/71/35/289377135.db2.gz NKQALHNTGVAYRD-CSFVBSKPSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000556202416 289377136 /nfs/dbraw/zinc/37/71/36/289377136.db2.gz NKQALHNTGVAYRD-CSFVBSKPSA-N 2 1 276.399 3.002 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000556816668 289410654 /nfs/dbraw/zinc/41/06/54/289410654.db2.gz KVNBVZUCXTYQDH-JKSUJKDBSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H](Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422920892 290063342 /nfs/dbraw/zinc/06/33/42/290063342.db2.gz NESYLDQTFSXPKX-GJZGRUSLSA-N 2 1 287.451 3.081 20 0 CGADMP Clc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346827989 294112813 /nfs/dbraw/zinc/11/28/13/294112813.db2.gz NDKKALDZFPANLB-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1C(C)C ZINC000364958427 301004650 /nfs/dbraw/zinc/00/46/50/301004650.db2.gz XNMANSFSEGBZFW-BPUTZDHNSA-N 2 1 290.455 3.050 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C(C)C ZINC000364958427 301004651 /nfs/dbraw/zinc/00/46/51/301004651.db2.gz XNMANSFSEGBZFW-BPUTZDHNSA-N 2 1 290.455 3.050 20 0 CGADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335568864 301287934 /nfs/dbraw/zinc/28/79/34/301287934.db2.gz NCAYYXZJWXPAMP-HNNXBMFYSA-N 2 1 294.826 3.204 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422710348 302199604 /nfs/dbraw/zinc/19/96/04/302199604.db2.gz LSTVYPDDXNESIA-RRQGHBQHSA-N 2 1 258.409 3.176 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CC1(C)C ZINC000414143816 529160478 /nfs/dbraw/zinc/16/04/78/529160478.db2.gz IYMYEGZYMCERAZ-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCCCC1 ZINC000423174332 303359558 /nfs/dbraw/zinc/35/95/58/303359558.db2.gz AJZQCCUMFICPLW-HNNXBMFYSA-N 2 1 292.398 3.291 20 0 CGADMP CCCc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000563778765 322009632 /nfs/dbraw/zinc/00/96/32/322009632.db2.gz XRNZSQLTPWMSSO-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000563778765 322009634 /nfs/dbraw/zinc/00/96/34/322009634.db2.gz XRNZSQLTPWMSSO-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000563778765 322009636 /nfs/dbraw/zinc/00/96/36/322009636.db2.gz XRNZSQLTPWMSSO-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000563778765 322009638 /nfs/dbraw/zinc/00/96/38/322009638.db2.gz XRNZSQLTPWMSSO-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000565697136 322087395 /nfs/dbraw/zinc/08/73/95/322087395.db2.gz YWYUCGHZEGYHAB-INIZCTEOSA-N 2 1 285.435 3.453 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000565697136 322087396 /nfs/dbraw/zinc/08/73/96/322087396.db2.gz YWYUCGHZEGYHAB-INIZCTEOSA-N 2 1 285.435 3.453 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000566229878 322110615 /nfs/dbraw/zinc/11/06/15/322110615.db2.gz QZCLAGILAWSCIL-OTWHNJEPSA-N 2 1 286.463 3.358 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000566961396 322144731 /nfs/dbraw/zinc/14/47/31/322144731.db2.gz HUIZHRPRTJADGM-TZMCWYRMSA-N 2 1 266.454 3.047 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)c1 ZINC000567026493 322147377 /nfs/dbraw/zinc/14/73/77/322147377.db2.gz FMURCHYCFBQVKR-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)c1 ZINC000567026493 322147380 /nfs/dbraw/zinc/14/73/80/322147380.db2.gz FMURCHYCFBQVKR-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)c1 ZINC000567026493 322147382 /nfs/dbraw/zinc/14/73/82/322147382.db2.gz FMURCHYCFBQVKR-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP CC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000567520654 322166979 /nfs/dbraw/zinc/16/69/79/322166979.db2.gz ZUKINCVSCQDJNY-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP CC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000567520654 322166981 /nfs/dbraw/zinc/16/69/81/322166981.db2.gz ZUKINCVSCQDJNY-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP CC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000567520654 322166983 /nfs/dbraw/zinc/16/69/83/322166983.db2.gz ZUKINCVSCQDJNY-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000567638519 322171779 /nfs/dbraw/zinc/17/17/79/322171779.db2.gz PZRAFVAUNPXCPF-CYBMUJFWSA-N 2 1 290.407 3.482 20 0 CGADMP CC(C)C[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000567865137 322180598 /nfs/dbraw/zinc/18/05/98/322180598.db2.gz HGEIRAZQUKKIEW-AEFFLSMTSA-N 2 1 274.452 3.487 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)[C@@H]2CCC[C@@H]21 ZINC000568405652 322208198 /nfs/dbraw/zinc/20/81/98/322208198.db2.gz GTIMKBYHHMUBCE-KKUMJFAQSA-N 2 1 292.492 3.488 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)co2)cc1 ZINC000568486833 322211025 /nfs/dbraw/zinc/21/10/25/322211025.db2.gz FFCVWZZBSSVQAZ-HUUCEWRRSA-N 2 1 285.391 3.010 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568510599 322211811 /nfs/dbraw/zinc/21/18/11/322211811.db2.gz VMASZQUUJPAHLN-MRXNPFEDSA-N 2 1 258.409 3.183 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568510599 322211813 /nfs/dbraw/zinc/21/18/13/322211813.db2.gz VMASZQUUJPAHLN-MRXNPFEDSA-N 2 1 258.409 3.183 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(Cl)c1 ZINC000568632349 322216367 /nfs/dbraw/zinc/21/63/67/322216367.db2.gz PHLIFSNLCMEFRQ-VHSXEESVSA-N 2 1 258.768 3.003 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000569279812 322242151 /nfs/dbraw/zinc/24/21/51/322242151.db2.gz FACRNUIPVODERM-CVEARBPZSA-N 2 1 292.467 3.423 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000569279812 322242154 /nfs/dbraw/zinc/24/21/54/322242154.db2.gz FACRNUIPVODERM-CVEARBPZSA-N 2 1 292.467 3.423 20 0 CGADMP CC(C)C(C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000569752682 322256465 /nfs/dbraw/zinc/25/64/65/322256465.db2.gz BYMWDNIJPIYGOM-HUUCEWRRSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000569752682 322256467 /nfs/dbraw/zinc/25/64/67/322256467.db2.gz BYMWDNIJPIYGOM-HUUCEWRRSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000569752682 322256469 /nfs/dbraw/zinc/25/64/69/322256469.db2.gz BYMWDNIJPIYGOM-HUUCEWRRSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000569752682 322256470 /nfs/dbraw/zinc/25/64/70/322256470.db2.gz BYMWDNIJPIYGOM-HUUCEWRRSA-N 2 1 254.462 3.329 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000569802335 322257463 /nfs/dbraw/zinc/25/74/63/322257463.db2.gz UATBAMWUOHOMJO-JTQLQIEISA-N 2 1 290.329 3.077 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3sc(Cl)cc3C2)CC[NH2+]1 ZINC000570163018 322266540 /nfs/dbraw/zinc/26/65/40/322266540.db2.gz YGZZCJTYYCYGSS-QWRGUYRKSA-N 2 1 284.856 3.148 20 0 CGADMP C[C@@H](c1ccco1)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000570823139 322283038 /nfs/dbraw/zinc/28/30/38/322283038.db2.gz IIUSSWWGWNWDJF-ZDUSSCGKSA-N 2 1 273.380 3.171 20 0 CGADMP C[C@@H](c1ccco1)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000570823139 322283040 /nfs/dbraw/zinc/28/30/40/322283040.db2.gz IIUSSWWGWNWDJF-ZDUSSCGKSA-N 2 1 273.380 3.171 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000571327767 322295918 /nfs/dbraw/zinc/29/59/18/322295918.db2.gz GJFKLKBZGGTULN-HOTGVXAUSA-N 2 1 252.446 3.441 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000572253471 322327876 /nfs/dbraw/zinc/32/78/76/322327876.db2.gz VGLFUARRDFJROH-GOSISDBHSA-N 2 1 283.419 3.484 20 0 CGADMP CCCOc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000572493219 322339964 /nfs/dbraw/zinc/33/99/64/322339964.db2.gz VVAGMWQDEGARNC-UHFFFAOYSA-N 2 1 276.424 3.227 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000572558440 322343201 /nfs/dbraw/zinc/34/32/01/322343201.db2.gz AUEHKLFKZZKBRV-BBWFWOEESA-N 2 1 284.488 3.292 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000572558440 322343203 /nfs/dbraw/zinc/34/32/03/322343203.db2.gz AUEHKLFKZZKBRV-BBWFWOEESA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)[N@@H+](CCCc1cncn1C)Cc1ccc(F)cc1 ZINC000573133094 322372026 /nfs/dbraw/zinc/37/20/26/322372026.db2.gz RLADNANGCBQOKS-UHFFFAOYSA-N 2 1 289.398 3.402 20 0 CGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000573133094 322372028 /nfs/dbraw/zinc/37/20/28/322372028.db2.gz RLADNANGCBQOKS-UHFFFAOYSA-N 2 1 289.398 3.402 20 0 CGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000573133094 322372030 /nfs/dbraw/zinc/37/20/30/322372030.db2.gz RLADNANGCBQOKS-UHFFFAOYSA-N 2 1 289.398 3.402 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000394029958 329095234 /nfs/dbraw/zinc/09/52/34/329095234.db2.gz DZZGTISRCRNIPB-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000582578310 329110179 /nfs/dbraw/zinc/11/01/79/329110179.db2.gz VIYHBLKFMYHKQN-HZPDHXFCSA-N 2 1 296.817 3.238 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000397751961 329390200 /nfs/dbraw/zinc/39/02/00/329390200.db2.gz CCONRNSLJSIDCB-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1OC ZINC000576367138 335195284 /nfs/dbraw/zinc/19/52/84/335195284.db2.gz KUXIAZLYAYDDLW-WBVHZDCISA-N 2 1 290.451 3.090 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1OC ZINC000576367138 335195285 /nfs/dbraw/zinc/19/52/85/335195285.db2.gz KUXIAZLYAYDDLW-WBVHZDCISA-N 2 1 290.451 3.090 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000576809756 335249943 /nfs/dbraw/zinc/24/99/43/335249943.db2.gz DYURFGAUQACFDO-RBUKOAKNSA-N 2 1 286.463 3.249 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000577029432 335284558 /nfs/dbraw/zinc/28/45/58/335284558.db2.gz QVIASFADZJAORC-IMJJTQAJSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000577029432 335284559 /nfs/dbraw/zinc/28/45/59/335284559.db2.gz QVIASFADZJAORC-IMJJTQAJSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000580639371 335308867 /nfs/dbraw/zinc/30/88/67/335308867.db2.gz MGNSVVDCKZAEOT-CYBMUJFWSA-N 2 1 284.856 3.466 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000581142720 336015179 /nfs/dbraw/zinc/01/51/79/336015179.db2.gz BTORCGIBSJJKRZ-MRXNPFEDSA-N 2 1 292.467 3.290 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC1(C)C ZINC000581146779 336015958 /nfs/dbraw/zinc/01/59/58/336015958.db2.gz FPZADXVRSFGQGU-LJISPDSOSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC1(C)C ZINC000581146779 336015959 /nfs/dbraw/zinc/01/59/59/336015959.db2.gz FPZADXVRSFGQGU-LJISPDSOSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+](CCCn1ccnc1)C[C@H]1CCCC(C)(C)C1 ZINC000581337426 336052152 /nfs/dbraw/zinc/05/21/52/336052152.db2.gz KHBPFHUWRIIVLF-HNNXBMFYSA-N 2 1 263.429 3.421 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000581488469 336088300 /nfs/dbraw/zinc/08/83/00/336088300.db2.gz JKUGNAKRNQTHTF-CGTJXYLNSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000382855197 336097980 /nfs/dbraw/zinc/09/79/80/336097980.db2.gz BZIURYLEUFLWFS-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000384148233 336122235 /nfs/dbraw/zinc/12/22/35/336122235.db2.gz GKATUHLWXPSETM-KRWDZBQOSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000385188069 336141568 /nfs/dbraw/zinc/14/15/68/336141568.db2.gz ODJBWLMVTQTOKG-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000385438168 336146433 /nfs/dbraw/zinc/14/64/33/336146433.db2.gz RDIDKGXJLZQDCA-IMJJTQAJSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000385438168 336146435 /nfs/dbraw/zinc/14/64/35/336146435.db2.gz RDIDKGXJLZQDCA-IMJJTQAJSA-N 2 1 252.446 3.274 20 0 CGADMP CSCC1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000385607232 336152539 /nfs/dbraw/zinc/15/25/39/336152539.db2.gz BFBMAWIUHZMTEK-NFOMZHRRSA-N 2 1 272.502 3.227 20 0 CGADMP CSCC1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000385607232 336152541 /nfs/dbraw/zinc/15/25/41/336152541.db2.gz BFBMAWIUHZMTEK-NFOMZHRRSA-N 2 1 272.502 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1C ZINC000385905900 336161095 /nfs/dbraw/zinc/16/10/95/336161095.db2.gz GVXSVVJSSWEFCR-GPMSIDNRSA-N 2 1 286.463 3.328 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]CCC[NH+]1CCC1 ZINC000581894129 336162171 /nfs/dbraw/zinc/16/21/71/336162171.db2.gz KMGUOUGTXQPFMW-UHFFFAOYSA-N 2 1 272.392 3.181 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423373735 533794948 /nfs/dbraw/zinc/79/49/48/533794948.db2.gz SDSHXEFXUWASQB-HQQPKKBNSA-N 2 1 294.389 3.189 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414173495 533874314 /nfs/dbraw/zinc/87/43/14/533874314.db2.gz GHKBREHXWMUPSN-RHSMWYFYSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2ccccc2c1 ZINC000423328026 533896906 /nfs/dbraw/zinc/89/69/06/533896906.db2.gz RUPBVSKVWMPIQY-SJCJKPOMSA-N 2 1 254.377 3.228 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311708 533897785 /nfs/dbraw/zinc/89/77/85/533897785.db2.gz UATSRIWHPCOQSV-CSFVBSKPSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311708 533897814 /nfs/dbraw/zinc/89/78/14/533897814.db2.gz UATSRIWHPCOQSV-CSFVBSKPSA-N 2 1 276.399 3.002 20 0 CGADMP Cc1cc2[nH]c(C[NH2+]CC3=CC[N@@H+](C)CC3)cc2c(C)c1 ZINC000359008151 534058164 /nfs/dbraw/zinc/05/81/64/534058164.db2.gz WBKOCPLDFCZMSH-UHFFFAOYSA-N 2 1 283.419 3.136 20 0 CGADMP Fc1cccc(C[C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359219712 534520670 /nfs/dbraw/zinc/52/06/70/534520670.db2.gz MEBYFQTXJGIKPG-GOSISDBHSA-N 2 1 290.426 3.222 20 0 CGADMP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000415129143 534534254 /nfs/dbraw/zinc/53/42/54/534534254.db2.gz YWEFAWYKQKCGTC-IBGZPJMESA-N 2 1 298.405 3.451 20 0 CGADMP CCC[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC000157049170 521680964 /nfs/dbraw/zinc/68/09/64/521680964.db2.gz OWNMIUFHCMDUOV-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP COC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000156220450 522738968 /nfs/dbraw/zinc/73/89/68/522738968.db2.gz NUKMTSURLFXTMS-WMZOPIPTSA-N 2 1 292.467 3.158 20 0 CGADMP Cc1cccc(CC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000449007695 534692129 /nfs/dbraw/zinc/69/21/29/534692129.db2.gz AOTYHGRBJHXCRL-UHFFFAOYSA-N 2 1 272.436 3.098 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccc(O)c1)CC1CC1 ZINC000161514520 523847378 /nfs/dbraw/zinc/84/73/78/523847378.db2.gz QKUMEACEYVXFBI-KRWDZBQOSA-N 2 1 288.435 3.089 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000161514520 523847385 /nfs/dbraw/zinc/84/73/85/523847385.db2.gz QKUMEACEYVXFBI-KRWDZBQOSA-N 2 1 288.435 3.089 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000161514520 523847390 /nfs/dbraw/zinc/84/73/90/523847390.db2.gz QKUMEACEYVXFBI-KRWDZBQOSA-N 2 1 288.435 3.089 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163435428 524473600 /nfs/dbraw/zinc/47/36/00/524473600.db2.gz ZKNFZIYBNKSPKA-JTQLQIEISA-N 2 1 292.320 3.274 20 0 CGADMP Cc1cccc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000157790498 524519324 /nfs/dbraw/zinc/51/93/24/524519324.db2.gz ZVBZXTSECHKCPL-GOSISDBHSA-N 2 1 295.430 3.348 20 0 CGADMP Cc1cccc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000157790498 524519338 /nfs/dbraw/zinc/51/93/38/524519338.db2.gz ZVBZXTSECHKCPL-GOSISDBHSA-N 2 1 295.430 3.348 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000088164092 524572732 /nfs/dbraw/zinc/57/27/32/524572732.db2.gz QQUPRUGPXLXQGQ-ALOPSCKCSA-N 2 1 258.409 3.100 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1[NH3+] ZINC000157544177 524617794 /nfs/dbraw/zinc/61/77/94/524617794.db2.gz ZXIHHGNZUXLADT-NHYWBVRUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1[NH3+] ZINC000157544177 524617803 /nfs/dbraw/zinc/61/78/03/524617803.db2.gz ZXIHHGNZUXLADT-NHYWBVRUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156091868 524844493 /nfs/dbraw/zinc/84/44/93/524844493.db2.gz MEDYTTBUBNKYSQ-SMDDNHRTSA-N 2 1 268.351 3.183 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1OC(F)F ZINC000049553229 525597463 /nfs/dbraw/zinc/59/74/63/525597463.db2.gz HQILNIFYQRMVGS-NWDGAFQWSA-N 2 1 286.366 3.279 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425934953 534879645 /nfs/dbraw/zinc/87/96/45/534879645.db2.gz BJQLWCCLLLBLAO-NEPJUHHUSA-N 2 1 283.485 3.423 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449093057 526286565 /nfs/dbraw/zinc/28/65/65/526286565.db2.gz VBDJBCBYQHZLDH-UHFFFAOYSA-N 2 1 287.407 3.180 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]CCC3CC3)CC2)cc1 ZINC000088455107 526465651 /nfs/dbraw/zinc/46/56/51/526465651.db2.gz WNNBCSYWALRTPG-UHFFFAOYSA-N 2 1 272.436 3.083 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000424367289 526779100 /nfs/dbraw/zinc/77/91/00/526779100.db2.gz LGTOJMCIYQAQGC-CHWSQXEVSA-N 2 1 266.454 3.405 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000163913322 527194433 /nfs/dbraw/zinc/19/44/33/527194433.db2.gz PDNYDORVORKAKS-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC2(CCC2)C1 ZINC000366342728 527479669 /nfs/dbraw/zinc/47/96/69/527479669.db2.gz XZQFPUPWSGEQEL-UHFFFAOYSA-N 2 1 250.430 3.129 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449089881 527744791 /nfs/dbraw/zinc/74/47/91/527744791.db2.gz LPNFQSRINGDNPX-GJZGRUSLSA-N 2 1 286.419 3.295 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)C1 ZINC000449089923 527815313 /nfs/dbraw/zinc/81/53/13/527815313.db2.gz LWWYGQDBVYBPBV-JJXSEGSLSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000449091519 527829490 /nfs/dbraw/zinc/82/94/90/527829490.db2.gz KADZNBXFHBZAGR-SJORKVTESA-N 2 1 296.499 3.028 20 0 CGADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414194609 528220457 /nfs/dbraw/zinc/22/04/57/528220457.db2.gz ULGSQQMIHPCESY-CVEARBPZSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423504464 528225428 /nfs/dbraw/zinc/22/54/28/528225428.db2.gz GAWSZXFOKPLKRQ-CVEARBPZSA-N 2 1 296.842 3.149 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000449090877 528254941 /nfs/dbraw/zinc/25/49/41/528254941.db2.gz HWNSQMFUIFCJKP-PCKAHOCUSA-N 2 1 284.513 3.230 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423266463 528310389 /nfs/dbraw/zinc/31/03/89/528310389.db2.gz SCLKXRSAVWOABP-GOEBONIOSA-N 2 1 264.388 3.166 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423268195 528311870 /nfs/dbraw/zinc/31/18/70/528311870.db2.gz UJYSHRICUFSJDE-HOCLYGCPSA-N 2 1 264.388 3.166 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)CC1CCOCC1 ZINC000449387500 528316284 /nfs/dbraw/zinc/31/62/84/528316284.db2.gz XNACKECUAXXTAC-AEFFLSMTSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423384692 528422139 /nfs/dbraw/zinc/42/21/39/528422139.db2.gz QHNRDJVAKBCJGR-WISYIIOYSA-N 2 1 286.872 3.481 20 0 CGADMP CC(C)C[C@H](C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367601834 528458459 /nfs/dbraw/zinc/45/84/59/528458459.db2.gz PVAJHHHQJKORMX-LSVZVQIISA-N 2 1 252.446 3.226 20 0 CGADMP CC(C)C[C@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367601834 528458463 /nfs/dbraw/zinc/45/84/63/528458463.db2.gz PVAJHHHQJKORMX-LSVZVQIISA-N 2 1 252.446 3.226 20 0 CGADMP CC(C)C[C@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367601834 528458468 /nfs/dbraw/zinc/45/84/68/528458468.db2.gz PVAJHHHQJKORMX-LSVZVQIISA-N 2 1 252.446 3.226 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414853185 528518844 /nfs/dbraw/zinc/51/88/44/528518844.db2.gz SDHOXUWHWZNGNN-OKZBNKHCSA-N 2 1 274.452 3.361 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423261453 528534370 /nfs/dbraw/zinc/53/43/70/528534370.db2.gz JUHDUIIVKRDMAH-MFKMUULPSA-N 2 1 285.229 3.083 20 0 CGADMP CC[N@@H+](CCOC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411186291 528563973 /nfs/dbraw/zinc/56/39/73/528563973.db2.gz PUSPYQBMEFHGRK-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CCCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364312537 528636916 /nfs/dbraw/zinc/63/69/16/528636916.db2.gz GBDLSHBRHPPWSW-ZWKOTPCHSA-N 2 1 272.436 3.356 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000423433328 528690622 /nfs/dbraw/zinc/69/06/22/528690622.db2.gz CCGWWVURXZYHTL-RDBSUJKOSA-N 2 1 294.439 3.260 20 0 CGADMP CCCCOc1ccccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906216 528701454 /nfs/dbraw/zinc/70/14/54/528701454.db2.gz MGRSRLPXYIFYTD-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449078231 528817170 /nfs/dbraw/zinc/81/71/70/528817170.db2.gz XLTMSFDLHCBMLN-CYBMUJFWSA-N 2 1 284.394 3.388 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000423297509 528819786 /nfs/dbraw/zinc/81/97/86/528819786.db2.gz KOFVLSMMMHLULX-ZFWWWQNUSA-N 2 1 264.413 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423302567 528822209 /nfs/dbraw/zinc/82/22/09/528822209.db2.gz VSKSCAORUNEGBK-JKSUJKDBSA-N 2 1 261.413 3.030 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423304442 528823507 /nfs/dbraw/zinc/82/35/07/528823507.db2.gz YVADLEMJCWTFSJ-DLBZAZTESA-N 2 1 260.425 3.115 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449335333 528827657 /nfs/dbraw/zinc/82/76/57/528827657.db2.gz KYYHCHGEFDMVPC-QWHCGFSZSA-N 2 1 284.394 3.387 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449335333 528827659 /nfs/dbraw/zinc/82/76/59/528827659.db2.gz KYYHCHGEFDMVPC-QWHCGFSZSA-N 2 1 284.394 3.387 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449106660 529051682 /nfs/dbraw/zinc/05/16/82/529051682.db2.gz NBGAHKMVPWCHAJ-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423268493 529068742 /nfs/dbraw/zinc/06/87/42/529068742.db2.gz GKVVJQVVSGYHIY-KBXCAEBGSA-N 2 1 283.419 3.383 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423259688 529071306 /nfs/dbraw/zinc/07/13/06/529071306.db2.gz FNTXMTVTFPIGTQ-ZWNOBZJWSA-N 2 1 285.229 3.083 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423338442 529121684 /nfs/dbraw/zinc/12/16/84/529121684.db2.gz ZEVSGOUJQSOARM-PBHICJAKSA-N 2 1 272.392 3.457 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424372996 529173507 /nfs/dbraw/zinc/17/35/07/529173507.db2.gz GGGSSAWSFVXFRC-CQSZACIVSA-N 2 1 290.426 3.352 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc(Cl)c1 ZINC000423260558 529178455 /nfs/dbraw/zinc/17/84/55/529178455.db2.gz HMSVOBHRJAJOSW-UONOGXRCSA-N 2 1 254.805 3.364 20 0 CGADMP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423324712 529180625 /nfs/dbraw/zinc/18/06/25/529180625.db2.gz IWRAPFRWTNEIGB-HZPDHXFCSA-N 2 1 282.378 3.395 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423286126 529247784 /nfs/dbraw/zinc/24/77/84/529247784.db2.gz ZQHMQFKNYSJSHT-NHYWBVRUSA-N 2 1 264.438 3.187 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423460571 529257569 /nfs/dbraw/zinc/25/75/69/529257569.db2.gz JCRQIVGWLRYUCP-NWDGAFQWSA-N 2 1 252.427 3.187 20 0 CGADMP CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483489995 534949655 /nfs/dbraw/zinc/94/96/55/534949655.db2.gz HNASNQLTUXVPRC-QZTJIDSGSA-N 2 1 272.436 3.383 20 0 CGADMP CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483489995 534949661 /nfs/dbraw/zinc/94/96/61/534949661.db2.gz HNASNQLTUXVPRC-QZTJIDSGSA-N 2 1 272.436 3.383 20 0 CGADMP CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483489995 534949669 /nfs/dbraw/zinc/94/96/69/534949669.db2.gz HNASNQLTUXVPRC-QZTJIDSGSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000128423826 535062253 /nfs/dbraw/zinc/06/22/53/535062253.db2.gz SIAFGNABOOUNTE-MRXNPFEDSA-N 2 1 289.398 3.179 20 0 CGADMP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000516173998 535064284 /nfs/dbraw/zinc/06/42/84/535064284.db2.gz WFFXOWGYMBSPLC-JZWPEALZSA-N 2 1 288.435 3.407 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000189795876 535215170 /nfs/dbraw/zinc/21/51/70/535215170.db2.gz ULUPYBHMCNEDBS-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCc2ccc(Cl)cc2)C1 ZINC000459549059 536472479 /nfs/dbraw/zinc/47/24/79/536472479.db2.gz CIJRXKPCMNKBFB-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549059 536472483 /nfs/dbraw/zinc/47/24/83/536472483.db2.gz CIJRXKPCMNKBFB-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549059 536472485 /nfs/dbraw/zinc/47/24/85/536472485.db2.gz CIJRXKPCMNKBFB-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000252513517 536897350 /nfs/dbraw/zinc/89/73/50/536897350.db2.gz VLXVUKBGONWZNK-KGLIPLIRSA-N 2 1 294.826 3.065 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000252513517 536897355 /nfs/dbraw/zinc/89/73/55/536897355.db2.gz VLXVUKBGONWZNK-KGLIPLIRSA-N 2 1 294.826 3.065 20 0 CGADMP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000220530277 572425829 /nfs/dbraw/zinc/42/58/29/572425829.db2.gz YORBBUNDWZEILE-YOEHRIQHSA-N 2 1 290.476 3.135 20 0 CGADMP OCCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000175759893 617684526 /nfs/dbraw/zinc/68/45/26/617684526.db2.gz ZZHFDROQRBWKKY-GOSISDBHSA-N 2 1 296.499 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000081096063 617783686 /nfs/dbraw/zinc/78/36/86/617783686.db2.gz URQUSOZIEIRQRJ-SJLPKXTDSA-N 2 1 290.451 3.036 20 0 CGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(F)nc1 ZINC000778177525 617797038 /nfs/dbraw/zinc/79/70/38/617797038.db2.gz UAPCXUBBVQLEMO-UHFFFAOYSA-N 2 1 293.430 3.355 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000093678097 618222287 /nfs/dbraw/zinc/22/22/87/618222287.db2.gz MVVKNHSZCZZODJ-ALOPSCKCSA-N 2 1 288.435 3.048 20 0 CGADMP c1ccc([C@@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000261943918 618224349 /nfs/dbraw/zinc/22/43/49/618224349.db2.gz NCCSHRUISBUFQU-KRWDZBQOSA-N 2 1 258.409 3.213 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2C)C1 ZINC000892121148 618542910 /nfs/dbraw/zinc/54/29/10/618542910.db2.gz PYZFEJXPZZIGTO-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2C)C1 ZINC000892121148 618542911 /nfs/dbraw/zinc/54/29/11/618542911.db2.gz PYZFEJXPZZIGTO-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCCC23CCCCC3)CC1 ZINC000892126057 618546682 /nfs/dbraw/zinc/54/66/82/618546682.db2.gz WHJSOFGZQQSFER-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926503777 618714321 /nfs/dbraw/zinc/71/43/21/618714321.db2.gz OGXCXZJWTFYGNL-VEZWFGLTSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000892584365 618867615 /nfs/dbraw/zinc/86/76/15/618867615.db2.gz JNXWILGDGTVZHH-AWEZNQCLSA-N 2 1 294.414 3.276 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892621019 618877220 /nfs/dbraw/zinc/87/72/20/618877220.db2.gz BLZHUHZIMBXELY-UHFFFAOYSA-N 2 1 297.324 3.448 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000892668831 618894178 /nfs/dbraw/zinc/89/41/78/618894178.db2.gz REARDEJILLLZMH-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000309452493 618897118 /nfs/dbraw/zinc/89/71/18/618897118.db2.gz RIAFLGNPWUJVHO-GXFFZTMASA-N 2 1 285.229 3.179 20 0 CGADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000309452493 618897121 /nfs/dbraw/zinc/89/71/21/618897121.db2.gz RIAFLGNPWUJVHO-GXFFZTMASA-N 2 1 285.229 3.179 20 0 CGADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)C1 ZINC000925559973 619059950 /nfs/dbraw/zinc/05/99/50/619059950.db2.gz VRGYZDCWYQCXGP-LSDHHAIUSA-N 2 1 299.418 3.337 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000093678090 619209414 /nfs/dbraw/zinc/20/94/14/619209414.db2.gz YMLLJFSVQHYSTA-ZXFUBFMLSA-N 2 1 276.399 3.178 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925781741 619243552 /nfs/dbraw/zinc/24/35/52/619243552.db2.gz JOZUIKLMAYFTRM-HIFRSBDPSA-N 2 1 282.378 3.199 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC[NH2+]1 ZINC000261565942 619289183 /nfs/dbraw/zinc/28/91/83/619289183.db2.gz GFOJVZXLCBTMON-GRYCIOLGSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2cccnc21 ZINC000925872672 619302353 /nfs/dbraw/zinc/30/23/53/619302353.db2.gz WZABUQMEEBXHJH-OIISXLGYSA-N 2 1 287.451 3.359 20 0 CGADMP CSCc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000894037839 619356164 /nfs/dbraw/zinc/35/61/64/619356164.db2.gz TVWWRZNVJBUMSW-QGZVFWFLSA-N 2 1 292.492 3.466 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2cccc(F)c2)C1 ZINC000894086937 619364453 /nfs/dbraw/zinc/36/44/53/619364453.db2.gz OFQYLXRKWQKRDR-GMNBZTITSA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2cccc(F)c2)C1 ZINC000894086937 619364458 /nfs/dbraw/zinc/36/44/58/619364458.db2.gz OFQYLXRKWQKRDR-GMNBZTITSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2cccc(F)c2)C1 ZINC000894086937 619364460 /nfs/dbraw/zinc/36/44/60/619364460.db2.gz OFQYLXRKWQKRDR-GMNBZTITSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC000894086937 619364462 /nfs/dbraw/zinc/36/44/62/619364462.db2.gz OFQYLXRKWQKRDR-GMNBZTITSA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)C(C)C ZINC000924907011 619433269 /nfs/dbraw/zinc/43/32/69/619433269.db2.gz AKRNEXYQHYYXJR-SJLPKXTDSA-N 2 1 289.467 3.113 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)C(C)C ZINC000924907011 619433273 /nfs/dbraw/zinc/43/32/73/619433273.db2.gz AKRNEXYQHYYXJR-SJLPKXTDSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(C)(C)C ZINC000878661517 619441237 /nfs/dbraw/zinc/44/12/37/619441237.db2.gz DIFPEPSWPOTBBE-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C(C)(C)C ZINC000878661517 619441241 /nfs/dbraw/zinc/44/12/41/619441241.db2.gz DIFPEPSWPOTBBE-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C(C)(C)C ZINC000878661517 619441247 /nfs/dbraw/zinc/44/12/47/619441247.db2.gz DIFPEPSWPOTBBE-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C(C(C)C)[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000925063981 619517777 /nfs/dbraw/zinc/51/77/77/619517777.db2.gz WWZIRLIMSXEZKN-HNNXBMFYSA-N 2 1 284.488 3.004 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@@H]1CCc2ccccc21)C1CC1 ZINC000894807908 619640428 /nfs/dbraw/zinc/64/04/28/619640428.db2.gz ZZBNSAWMZSKMRP-INIZCTEOSA-N 2 1 272.436 3.180 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc2c1NCCC2)C1CC1 ZINC000894966931 619688017 /nfs/dbraw/zinc/68/80/17/619688017.db2.gz NCCSZQDAZAQUGA-UHFFFAOYSA-N 2 1 287.451 3.009 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000895671993 619869267 /nfs/dbraw/zinc/86/92/67/619869267.db2.gz SKAMLXMZVWOJIP-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841028107 620406878 /nfs/dbraw/zinc/40/68/78/620406878.db2.gz AAWHLZYVRHFXTN-LBPRGKRZSA-N 2 1 292.370 3.371 20 0 CGADMP c1cnc2ccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2c1 ZINC000897985891 620462825 /nfs/dbraw/zinc/46/28/25/620462825.db2.gz UAMJCLAABZAQMT-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000898306502 620509228 /nfs/dbraw/zinc/50/92/28/620509228.db2.gz KIHDNRMMHABYTL-UHFFFAOYSA-N 2 1 273.424 3.188 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000898308166 620509821 /nfs/dbraw/zinc/50/98/21/620509821.db2.gz QRHOMBWPZKCJRX-UHFFFAOYSA-N 2 1 273.424 3.188 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCc2c1nccc2Cl)C[NH+]1CCCC1 ZINC000924713189 620572648 /nfs/dbraw/zinc/57/26/48/620572648.db2.gz CSIFPVUUWNFONF-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP CC(C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517726 620596001 /nfs/dbraw/zinc/59/60/01/620596001.db2.gz CKWBEHUOBWAFAP-SQNIBIBYSA-N 2 1 272.436 3.285 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924752012 620624907 /nfs/dbraw/zinc/62/49/07/620624907.db2.gz MPUNFBFGVLMMQW-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000902407627 621292386 /nfs/dbraw/zinc/29/23/86/621292386.db2.gz SJJGQSBOEVPIDO-KRWDZBQOSA-N 2 1 284.378 3.190 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000902407201 621293366 /nfs/dbraw/zinc/29/33/66/621293366.db2.gz QBKPRVCTKMMWMQ-DZGCQCFKSA-N 2 1 278.827 3.132 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1Cl ZINC000902403634 621307429 /nfs/dbraw/zinc/30/74/29/621307429.db2.gz AHWOKSKZLNZWOQ-NSHDSACASA-N 2 1 282.815 3.269 20 0 CGADMP C1CC1([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000902725947 621412577 /nfs/dbraw/zinc/41/25/77/621412577.db2.gz GGXGHNUHIPAOTE-HOTGVXAUSA-N 2 1 262.441 3.316 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902789449 621447139 /nfs/dbraw/zinc/44/71/39/621447139.db2.gz GYNXADBXSMSJOE-NVXWUHKLSA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000903016541 621519576 /nfs/dbraw/zinc/51/95/76/621519576.db2.gz GUIABZFONYMFHU-WMZOPIPTSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903090921 621566669 /nfs/dbraw/zinc/56/66/69/621566669.db2.gz JJUGKBBYTZYOBH-MAUKXSAKSA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903090921 621566673 /nfs/dbraw/zinc/56/66/73/621566673.db2.gz JJUGKBBYTZYOBH-MAUKXSAKSA-N 2 1 287.451 3.243 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903068740 621568574 /nfs/dbraw/zinc/56/85/74/621568574.db2.gz LVEVYTXCVBPSEA-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(C)(C)O1 ZINC000903147003 621598650 /nfs/dbraw/zinc/59/86/50/621598650.db2.gz LTRDQZNEIFBXCH-WDVRLDOZSA-N 2 1 292.467 3.080 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3ncccc3c2)CC1(C)C ZINC000903193342 621621214 /nfs/dbraw/zinc/62/12/14/621621214.db2.gz SDDSXRPITGVPRU-KRWDZBQOSA-N 2 1 297.446 3.240 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000903341324 621696276 /nfs/dbraw/zinc/69/62/76/621696276.db2.gz MXVBHRCOLGTSEA-LJISPDSOSA-N 2 1 286.410 3.274 20 0 CGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1C[C@H]1C1CC1 ZINC000903379578 621722327 /nfs/dbraw/zinc/72/23/27/621722327.db2.gz YIKOCMSQAFWMSI-XFKAJCMBSA-N 2 1 287.451 3.099 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)c1cccc(OC)c1 ZINC000903431462 621744347 /nfs/dbraw/zinc/74/43/47/621744347.db2.gz VJJLKRXRQSQFLX-LZWOXQAQSA-N 2 1 276.424 3.206 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439099 621748376 /nfs/dbraw/zinc/74/83/76/621748376.db2.gz DBMPOOXYLWLFGJ-IXDOHACOSA-N 2 1 260.425 3.067 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000903458465 621751250 /nfs/dbraw/zinc/75/12/50/621751250.db2.gz ANLNZGKCXLBBGC-DZGCQCFKSA-N 2 1 278.465 3.215 20 0 CGADMP CCC1(CC)CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766854 621803803 /nfs/dbraw/zinc/80/38/03/621803803.db2.gz SLOLXNTZYSIBNN-MRXNPFEDSA-N 2 1 294.483 3.047 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000903812124 621814152 /nfs/dbraw/zinc/81/41/52/621814152.db2.gz QJIQMLUBEWRYKW-FZKCQIBNSA-N 2 1 262.441 3.016 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(CCC3)O2)CCC1 ZINC000903812679 621815004 /nfs/dbraw/zinc/81/50/04/621815004.db2.gz VYCCVERDVMIVCJ-HOTGVXAUSA-N 2 1 292.467 3.072 20 0 CGADMP Cc1ccc([C@@H](C)[N@H+](C)C[C@H]([NH3+])CC(F)F)c(C)c1 ZINC000903880556 621825235 /nfs/dbraw/zinc/82/52/35/621825235.db2.gz UEGIOCPIBOMYJI-CHWSQXEVSA-N 2 1 270.367 3.279 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]([NH3+])CC(F)F)c(C)c1 ZINC000903880556 621825238 /nfs/dbraw/zinc/82/52/38/621825238.db2.gz UEGIOCPIBOMYJI-CHWSQXEVSA-N 2 1 270.367 3.279 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879239 621825413 /nfs/dbraw/zinc/82/54/13/621825413.db2.gz WEHCPXZAMKENOS-FXANMCRTSA-N 2 1 288.410 3.493 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000903885410 621826677 /nfs/dbraw/zinc/82/66/77/621826677.db2.gz HFYPROQLLJIQHA-WFASDCNBSA-N 2 1 280.362 3.121 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000903885410 621826678 /nfs/dbraw/zinc/82/66/78/621826678.db2.gz HFYPROQLLJIQHA-WFASDCNBSA-N 2 1 280.362 3.121 20 0 CGADMP C[C@H](C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903892418 621827448 /nfs/dbraw/zinc/82/74/48/621827448.db2.gz RUCWMCLYNJXVQB-DUZACMNTSA-N 2 1 272.436 3.253 20 0 CGADMP C1=CC[C@@]2(CC1)CCC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903893055 621827505 /nfs/dbraw/zinc/82/75/05/621827505.db2.gz PLKQPMLVPHULCW-HQSKLWIPSA-N 2 1 274.452 3.339 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903895065 621828244 /nfs/dbraw/zinc/82/82/44/621828244.db2.gz KLTGXSSGRDCTSX-YCXXCVGLSA-N 2 1 285.435 3.058 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903895064 621828618 /nfs/dbraw/zinc/82/86/18/621828618.db2.gz KLTGXSSGRDCTSX-MMNRESRNSA-N 2 1 285.435 3.058 20 0 CGADMP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)CC[C@@H]1c1ccccc1 ZINC000903898866 621829973 /nfs/dbraw/zinc/82/99/73/621829973.db2.gz OTZSTQLZBLSVCR-KBMXLJTQSA-N 2 1 296.405 3.485 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)CC[C@@H]1c1ccccc1 ZINC000903898866 621829975 /nfs/dbraw/zinc/82/99/75/621829975.db2.gz OTZSTQLZBLSVCR-KBMXLJTQSA-N 2 1 296.405 3.485 20 0 CGADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903932192 621834614 /nfs/dbraw/zinc/83/46/14/621834614.db2.gz OBXDWLXRBFEEEA-FRRDWIJNSA-N 2 1 274.399 3.117 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903930356 621834768 /nfs/dbraw/zinc/83/47/68/621834768.db2.gz YCUUJVANFJTGCL-UONOGXRCSA-N 2 1 282.378 3.237 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903930356 621834770 /nfs/dbraw/zinc/83/47/70/621834770.db2.gz YCUUJVANFJTGCL-UONOGXRCSA-N 2 1 282.378 3.237 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)CC12CCCCC2 ZINC000903916493 621836132 /nfs/dbraw/zinc/83/61/32/621836132.db2.gz SPJQWESUHSPUCZ-OLZOCXBDSA-N 2 1 274.399 3.261 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC12CCCCC2 ZINC000903916493 621836134 /nfs/dbraw/zinc/83/61/34/621836134.db2.gz SPJQWESUHSPUCZ-OLZOCXBDSA-N 2 1 274.399 3.261 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000903959124 621836726 /nfs/dbraw/zinc/83/67/26/621836726.db2.gz AWSCLYLPRJCWQA-IBGZPJMESA-N 2 1 295.430 3.200 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000903946809 621839746 /nfs/dbraw/zinc/83/97/46/621839746.db2.gz AWYBCXBDMLOHJR-UHFFFAOYSA-N 2 1 298.434 3.088 20 0 CGADMP CC(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955301 621843328 /nfs/dbraw/zinc/84/33/28/621843328.db2.gz ORGHTZMEKZTZES-OAHLLOKOSA-N 2 1 282.378 3.144 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303628 621901750 /nfs/dbraw/zinc/90/17/50/621901750.db2.gz BANNOSPUJWKIPM-PHIMTYICSA-N 2 1 273.207 3.163 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346165 621910709 /nfs/dbraw/zinc/91/07/09/621910709.db2.gz PSRPIONRGZAQCR-UTUOFQBUSA-N 2 1 297.240 3.179 20 0 CGADMP CC(C)c1ccc([C@@H]([NH3+])CNCc2ccc(C[NH3+])cc2)cc1 ZINC000904353649 621911105 /nfs/dbraw/zinc/91/11/05/621911105.db2.gz PXSGWIUAOZLMOT-IBGZPJMESA-N 2 1 297.446 3.058 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590381 622251237 /nfs/dbraw/zinc/25/12/37/622251237.db2.gz PYQUWQRLNFCKKI-KZNAEPCWSA-N 2 1 288.410 3.099 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590381 622251240 /nfs/dbraw/zinc/25/12/40/622251240.db2.gz PYQUWQRLNFCKKI-KZNAEPCWSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590381 622251245 /nfs/dbraw/zinc/25/12/45/622251245.db2.gz PYQUWQRLNFCKKI-KZNAEPCWSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590381 622251248 /nfs/dbraw/zinc/25/12/48/622251248.db2.gz PYQUWQRLNFCKKI-KZNAEPCWSA-N 2 1 288.410 3.099 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccnc(Cl)c1 ZINC000165311765 622858979 /nfs/dbraw/zinc/85/89/79/622858979.db2.gz KMTWXFHJTFOSIQ-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnc(Cl)c1 ZINC000766472572 624052081 /nfs/dbraw/zinc/05/20/81/624052081.db2.gz ALTPHTIFQMUALN-FPMFFAJLSA-N 2 1 281.831 3.258 20 0 CGADMP CCc1nc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925474898 624435993 /nfs/dbraw/zinc/43/59/93/624435993.db2.gz AMQXNSKPOCLANQ-SDDRHHMPSA-N 2 1 281.469 3.262 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC1(C)C ZINC000922947596 626105385 /nfs/dbraw/zinc/10/53/85/626105385.db2.gz AEEFADJRIKMGSB-UONOGXRCSA-N 2 1 282.472 3.043 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1C(F)(F)F ZINC000923425206 626152291 /nfs/dbraw/zinc/15/22/91/626152291.db2.gz JRUTTYPCBVHIGF-OLZOCXBDSA-N 2 1 290.373 3.026 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923502712 626158428 /nfs/dbraw/zinc/15/84/28/626158428.db2.gz DPAKMUJYSCFYSC-RYUDHWBXSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000754785663 626587459 /nfs/dbraw/zinc/58/74/59/626587459.db2.gz MZMSPPJEWUNJPE-XYPHTWIQSA-N 2 1 276.399 3.146 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC000765293045 627245405 /nfs/dbraw/zinc/24/54/05/627245405.db2.gz YUUSHIXZPKGVNQ-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000766241149 627306105 /nfs/dbraw/zinc/30/61/05/627306105.db2.gz BNQXAYSEDSOYDA-INIZCTEOSA-N 2 1 291.345 3.307 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000766241149 627306109 /nfs/dbraw/zinc/30/61/09/627306109.db2.gz BNQXAYSEDSOYDA-INIZCTEOSA-N 2 1 291.345 3.307 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1(C)C ZINC000766452808 627332918 /nfs/dbraw/zinc/33/29/18/627332918.db2.gz XYTUMWMFPAASLR-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000767423619 627407350 /nfs/dbraw/zinc/40/73/50/627407350.db2.gz CTCNJLPKOBJXEJ-HNNXBMFYSA-N 2 1 264.388 3.135 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769507858 627561262 /nfs/dbraw/zinc/56/12/62/627561262.db2.gz PIRJQVIWUYVULS-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769507858 627561265 /nfs/dbraw/zinc/56/12/65/627561265.db2.gz PIRJQVIWUYVULS-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000769507858 627561267 /nfs/dbraw/zinc/56/12/67/627561267.db2.gz PIRJQVIWUYVULS-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000769507858 627561269 /nfs/dbraw/zinc/56/12/69/627561269.db2.gz PIRJQVIWUYVULS-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774169586 627955181 /nfs/dbraw/zinc/95/51/81/627955181.db2.gz SJYBEAQUUYTSBV-MQVJKMGUSA-N 2 1 297.446 3.234 20 0 CGADMP CCC[N@H+]1CC[C@H](CNc2cc[nH+]c3cc(OC)ccc23)C1 ZINC000774515664 627999636 /nfs/dbraw/zinc/99/96/36/627999636.db2.gz CETCPHPSDMMMFM-CQSZACIVSA-N 2 1 299.418 3.387 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(CF)cc3)CC[C@H]21 ZINC000777599933 628288009 /nfs/dbraw/zinc/28/80/09/628288009.db2.gz MOLZQYNEXKERHK-DLBZAZTESA-N 2 1 276.399 3.072 20 0 CGADMP C[NH+]1CCC(C[NH2+][C@H](CCc2ccccc2)C(F)F)CC1 ZINC000779438231 628413007 /nfs/dbraw/zinc/41/30/07/628413007.db2.gz KWJLWWIRMKZUDA-MRXNPFEDSA-N 2 1 296.405 3.184 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000780302014 628480556 /nfs/dbraw/zinc/48/05/56/628480556.db2.gz NBPSOVCDBHFBJT-AYBZRNKSSA-N 2 1 286.463 3.379 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000780302014 628480558 /nfs/dbraw/zinc/48/05/58/628480558.db2.gz NBPSOVCDBHFBJT-AYBZRNKSSA-N 2 1 286.463 3.379 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000780302014 628480559 /nfs/dbraw/zinc/48/05/59/628480559.db2.gz NBPSOVCDBHFBJT-AYBZRNKSSA-N 2 1 286.463 3.379 20 0 CGADMP CSc1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000781333148 628555314 /nfs/dbraw/zinc/55/53/14/628555314.db2.gz PWRNBJVDMMIYQP-UHFFFAOYSA-N 2 1 278.465 3.182 20 0 CGADMP CC(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000783315218 628703047 /nfs/dbraw/zinc/70/30/47/628703047.db2.gz AETKUIPPPYNUPA-GOEBONIOSA-N 2 1 260.425 3.382 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788475055 629057549 /nfs/dbraw/zinc/05/75/49/629057549.db2.gz PCAQPGRELPMWID-HNNXBMFYSA-N 2 1 278.465 3.399 20 0 CGADMP C[N@H+](CC[NH2+]C[C@H]1CCc2ccccc21)C1CCCC1 ZINC000790049117 629179846 /nfs/dbraw/zinc/17/98/46/629179846.db2.gz LXQFJRNMMPEMCZ-MRXNPFEDSA-N 2 1 272.436 3.180 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@H]1CCc2ccccc21)C1CCCC1 ZINC000790049117 629179848 /nfs/dbraw/zinc/17/98/48/629179848.db2.gz LXQFJRNMMPEMCZ-MRXNPFEDSA-N 2 1 272.436 3.180 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000790049148 629179961 /nfs/dbraw/zinc/17/99/61/629179961.db2.gz MRGUSFNNBOJXTK-GOEBONIOSA-N 2 1 260.425 3.036 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790055718 629180971 /nfs/dbraw/zinc/18/09/71/629180971.db2.gz QQJULKPSJJLBKL-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP Cc1c(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)ccnc1F ZINC000862271661 629334441 /nfs/dbraw/zinc/33/44/41/629334441.db2.gz XAYZFJAARFQAPE-AWEZNQCLSA-N 2 1 293.430 3.273 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)CCCCc1cccc(C(F)(F)F)c1 ZINC000863651695 629632842 /nfs/dbraw/zinc/63/28/42/629632842.db2.gz KYAVVERROJJNTB-LBPRGKRZSA-N 2 1 288.357 3.307 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC000865417169 630113810 /nfs/dbraw/zinc/11/38/10/630113810.db2.gz AOXJUFBZXRSXME-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C)oc1C ZINC000809749857 630799434 /nfs/dbraw/zinc/79/94/34/630799434.db2.gz LCECRZPCOFCMFO-UHFFFAOYSA-N 2 1 264.413 3.204 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)oc1C ZINC000809749857 630799441 /nfs/dbraw/zinc/79/94/41/630799441.db2.gz LCECRZPCOFCMFO-UHFFFAOYSA-N 2 1 264.413 3.204 20 0 CGADMP COc1ccc2c(N[C@H](C)C[N@@H+](C)C(C)C)cc[nH+]c2c1 ZINC000811858677 631127922 /nfs/dbraw/zinc/12/79/22/631127922.db2.gz FWMJNGRLQWVDCD-CYBMUJFWSA-N 2 1 287.407 3.384 20 0 CGADMP CCC[NH+]1CCC(Nc2cc3c(c[nH+]2)CCCC3)CC1 ZINC000812738877 631300010 /nfs/dbraw/zinc/30/00/10/631300010.db2.gz DEZVPTSQYSWPKT-UHFFFAOYSA-N 2 1 273.424 3.247 20 0 CGADMP C[C@](O)(CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000817924765 632235117 /nfs/dbraw/zinc/23/51/17/632235117.db2.gz XFPXJEBRWJYSCZ-OTWHNJEPSA-N 2 1 296.414 3.019 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1Cl ZINC000817958643 632253159 /nfs/dbraw/zinc/25/31/59/632253159.db2.gz KZTHBZMKUITESX-FZMZJTMJSA-N 2 1 284.831 3.291 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccnc(Cl)c1 ZINC000817959227 632255096 /nfs/dbraw/zinc/25/50/96/632255096.db2.gz QQADNKAFIOGUMR-SMDDNHRTSA-N 2 1 281.831 3.293 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(SC(F)F)cc1 ZINC000817965149 632260483 /nfs/dbraw/zinc/26/04/83/632260483.db2.gz MRGTWEGRMICIRL-ZANVPECISA-N 2 1 286.391 3.389 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000818341312 632311113 /nfs/dbraw/zinc/31/11/13/632311113.db2.gz YZDPWDCFPKFNFV-CHWSQXEVSA-N 2 1 286.391 3.361 20 0 CGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000822750081 633014965 /nfs/dbraw/zinc/01/49/65/633014965.db2.gz HKHGJWCIWZQUHM-WDEREUQCSA-N 2 1 288.222 3.173 20 0 CGADMP Cc1cc(NC[C@@H]2c3ccccc3C[N@H+]2C)nc(C2CC2)n1 ZINC000866193198 633023925 /nfs/dbraw/zinc/02/39/25/633023925.db2.gz BGFSVUZRCIIHCF-MRXNPFEDSA-N 2 1 294.402 3.261 20 0 CGADMP Cc1cc(NC[C@@H]2c3ccccc3C[N@@H+]2C)nc(C2CC2)n1 ZINC000866193198 633023933 /nfs/dbraw/zinc/02/39/33/633023933.db2.gz BGFSVUZRCIIHCF-MRXNPFEDSA-N 2 1 294.402 3.261 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccn1 ZINC000866237440 633039303 /nfs/dbraw/zinc/03/93/03/633039303.db2.gz COTPDMBVUJUROJ-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000866243061 633041816 /nfs/dbraw/zinc/04/18/16/633041816.db2.gz FQDNOAHAJHDRNK-ZACQAIPSSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000866243061 633041817 /nfs/dbraw/zinc/04/18/17/633041817.db2.gz FQDNOAHAJHDRNK-ZACQAIPSSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000866274956 633058672 /nfs/dbraw/zinc/05/86/72/633058672.db2.gz WFMGCPUYVZWVBB-MIGBEJBISA-N 2 1 287.451 3.008 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000866274956 633058678 /nfs/dbraw/zinc/05/86/78/633058678.db2.gz WFMGCPUYVZWVBB-MIGBEJBISA-N 2 1 287.451 3.008 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000866373649 633109733 /nfs/dbraw/zinc/10/97/33/633109733.db2.gz OYKWTLXRUVGSRB-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000872016546 633936690 /nfs/dbraw/zinc/93/66/90/633936690.db2.gz LDGVIEKFQHMKHL-HZPDHXFCSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCCOC1 ZINC000872023630 633945097 /nfs/dbraw/zinc/94/50/97/633945097.db2.gz UIGFZWBTJOJJFJ-BZSNNMDCSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CCCn1cc[nH+]c1C ZINC000872025620 633946278 /nfs/dbraw/zinc/94/62/78/633946278.db2.gz QEBVGRAIINJWGM-LBPRGKRZSA-N 2 1 277.334 3.292 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872037467 633956865 /nfs/dbraw/zinc/95/68/65/633956865.db2.gz BVZQALFCMKHMQF-QJPTWQEYSA-N 2 1 266.351 3.180 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872037467 633956868 /nfs/dbraw/zinc/95/68/68/633956868.db2.gz BVZQALFCMKHMQF-QJPTWQEYSA-N 2 1 266.351 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)CC[N@H+]1C ZINC000846211338 636159208 /nfs/dbraw/zinc/15/92/08/636159208.db2.gz BFKBFJZXNNKWPI-GRYCIOLGSA-N 2 1 279.255 3.033 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1coc(-c2ccccc2)n1 ZINC000872155151 634066499 /nfs/dbraw/zinc/06/64/99/634066499.db2.gz MTNAHGFTGYMQFD-UHFFFAOYSA-N 2 1 287.407 3.293 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CSc3ccccc32)C1 ZINC000873244425 634298166 /nfs/dbraw/zinc/29/81/66/634298166.db2.gz HLNBRYMMJYCDGI-GXTWGEPZSA-N 2 1 276.449 3.201 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1 ZINC000019912869 634376154 /nfs/dbraw/zinc/37/61/54/634376154.db2.gz RBAVJFDTNYFQRX-CQSZACIVSA-N 2 1 264.388 3.180 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1 ZINC000019912869 634376162 /nfs/dbraw/zinc/37/61/62/634376162.db2.gz RBAVJFDTNYFQRX-CQSZACIVSA-N 2 1 264.388 3.180 20 0 CGADMP C[C@H](C[NH2+]Cc1cccc(Cl)c1N)C[NH+]1CCCCC1 ZINC000876948833 634935320 /nfs/dbraw/zinc/93/53/20/634935320.db2.gz QSCZUADSXUASEM-CYBMUJFWSA-N 2 1 295.858 3.134 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877115269 634988377 /nfs/dbraw/zinc/98/83/77/634988377.db2.gz JTLATCLUUDIOGJ-CHWSQXEVSA-N 2 1 293.282 3.138 20 0 CGADMP CC1(C)Cc2cc(C[NH2+][C@@H](C[NH3+])C3CCCC3)ccc2O1 ZINC000841087050 635119941 /nfs/dbraw/zinc/11/99/41/635119941.db2.gz NMHJZRGAYVFIIJ-INIZCTEOSA-N 2 1 288.435 3.007 20 0 CGADMP FC(F)C1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000877732217 635166996 /nfs/dbraw/zinc/16/69/96/635166996.db2.gz AYLGYZAEGVDPEK-PIMMBPRGSA-N 2 1 286.410 3.417 20 0 CGADMP FC(F)C1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000877732217 635166999 /nfs/dbraw/zinc/16/69/99/635166999.db2.gz AYLGYZAEGVDPEK-PIMMBPRGSA-N 2 1 286.410 3.417 20 0 CGADMP CC(C)C[N@H+](Cc1ccoc1)CC1CC[NH+](C)CC1 ZINC000877767723 635194492 /nfs/dbraw/zinc/19/44/92/635194492.db2.gz VACHAZUWWISCSM-UHFFFAOYSA-N 2 1 264.413 3.079 20 0 CGADMP CCCO[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])CC1 ZINC000842471832 635376122 /nfs/dbraw/zinc/37/61/22/635376122.db2.gz CANBKCXFIQMJKU-MRXNPFEDSA-N 2 1 270.461 3.177 20 0 CGADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842476434 635377538 /nfs/dbraw/zinc/37/75/38/635377538.db2.gz OHTKXKSREYHESB-OAHLLOKOSA-N 2 1 278.444 3.073 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000842473311 635378766 /nfs/dbraw/zinc/37/87/66/635378766.db2.gz UVJCBOUOYODLHC-SUMWQHHRSA-N 2 1 294.389 3.491 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3cccc(OC)c3o2)CC[C@H]1[NH3+] ZINC000843052739 635549065 /nfs/dbraw/zinc/54/90/65/635549065.db2.gz SHDCTPHUALZOEG-SWLSCSKDSA-N 2 1 288.391 3.001 20 0 CGADMP C[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000843054881 635551114 /nfs/dbraw/zinc/55/11/14/635551114.db2.gz MEMGKLWHTDDQML-JQRITLKVSA-N 2 1 264.388 3.131 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2cnccc2c1 ZINC000843054074 635551697 /nfs/dbraw/zinc/55/16/97/635551697.db2.gz XJGQCNVOQJWJSI-AYHJJNSGSA-N 2 1 281.403 3.079 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCSC(C)(C)C)C2)C1 ZINC000878652622 635592850 /nfs/dbraw/zinc/59/28/50/635592850.db2.gz SKMVWYNDSDLDIX-INIZCTEOSA-N 2 1 284.513 3.326 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCSC(C)(C)C)C2)C1 ZINC000878652622 635592854 /nfs/dbraw/zinc/59/28/54/635592854.db2.gz SKMVWYNDSDLDIX-INIZCTEOSA-N 2 1 284.513 3.326 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCSC(C)(C)C)C2)C1 ZINC000878652622 635592858 /nfs/dbraw/zinc/59/28/58/635592858.db2.gz SKMVWYNDSDLDIX-INIZCTEOSA-N 2 1 284.513 3.326 20 0 CGADMP C[N@@H+](Cc1ncc(Cl)cc1Cl)C1CCC([NH3+])CC1 ZINC000843355265 635652195 /nfs/dbraw/zinc/65/21/95/635652195.db2.gz ONPMSKQKBUUAKG-UHFFFAOYSA-N 2 1 288.222 3.090 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355317 635652846 /nfs/dbraw/zinc/65/28/46/635652846.db2.gz QYONLLGGJFTOTD-UHFFFAOYSA-N 2 1 282.815 3.050 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000879573476 635814699 /nfs/dbraw/zinc/81/46/99/635814699.db2.gz OPHCYQFFTPKKQO-WOJBJXKFSA-N 2 1 294.442 3.408 20 0 CGADMP Cc1csc([C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000880009369 635897197 /nfs/dbraw/zinc/89/71/97/635897197.db2.gz NBMCYMMCNHLRTG-LSDHHAIUSA-N 2 1 293.480 3.115 20 0 CGADMP Cc1csc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000880009369 635897199 /nfs/dbraw/zinc/89/71/99/635897199.db2.gz NBMCYMMCNHLRTG-LSDHHAIUSA-N 2 1 293.480 3.115 20 0 CGADMP Cc1csc([C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000880009369 635897204 /nfs/dbraw/zinc/89/72/04/635897204.db2.gz NBMCYMMCNHLRTG-LSDHHAIUSA-N 2 1 293.480 3.115 20 0 CGADMP Cc1csc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000880010094 635898480 /nfs/dbraw/zinc/89/84/80/635898480.db2.gz UJSIDARHXCTZPQ-HNNXBMFYSA-N 2 1 293.480 3.117 20 0 CGADMP Cc1csc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000880010094 635898484 /nfs/dbraw/zinc/89/84/84/635898484.db2.gz UJSIDARHXCTZPQ-HNNXBMFYSA-N 2 1 293.480 3.117 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000880201193 635935170 /nfs/dbraw/zinc/93/51/70/635935170.db2.gz HOJHVTTYGYNVPF-DOTOQJQBSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000880201193 635935175 /nfs/dbraw/zinc/93/51/75/635935175.db2.gz HOJHVTTYGYNVPF-DOTOQJQBSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCC[NH3+])C1 ZINC000846222238 636163214 /nfs/dbraw/zinc/16/32/14/636163214.db2.gz VECICKLQFYVCPN-ZWKOTPCHSA-N 3 1 295.515 3.092 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846222238 636163219 /nfs/dbraw/zinc/16/32/19/636163219.db2.gz VECICKLQFYVCPN-ZWKOTPCHSA-N 3 1 295.515 3.092 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846222238 636163224 /nfs/dbraw/zinc/16/32/24/636163224.db2.gz VECICKLQFYVCPN-ZWKOTPCHSA-N 3 1 295.515 3.092 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883186526 636572292 /nfs/dbraw/zinc/57/22/92/636572292.db2.gz UKCPTQKWSTYEBO-UKRRQHHQSA-N 2 1 261.413 3.140 20 0 CGADMP CSCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000131606356 636699204 /nfs/dbraw/zinc/69/92/04/636699204.db2.gz HJAPAUZGKWWSOE-HNNXBMFYSA-N 2 1 292.492 3.382 20 0 CGADMP FC1(F)CCC[C@H]1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000883417570 636749062 /nfs/dbraw/zinc/74/90/62/636749062.db2.gz FLCUBDQQNNVWDC-AWEZNQCLSA-N 2 1 286.410 3.276 20 0 CGADMP FC1(F)CCC[C@@H]1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000883417571 636749430 /nfs/dbraw/zinc/74/94/30/636749430.db2.gz FLCUBDQQNNVWDC-CQSZACIVSA-N 2 1 286.410 3.276 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C(C)(C)O1 ZINC000883424279 636752008 /nfs/dbraw/zinc/75/20/08/636752008.db2.gz MTFLBHCCTXSMQU-OAGGEKHMSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000883461674 636761137 /nfs/dbraw/zinc/76/11/37/636761137.db2.gz AJIFDAAVCGKMLO-HLLBOEOZSA-N 2 1 272.436 3.253 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885918944 637311782 /nfs/dbraw/zinc/31/17/82/637311782.db2.gz FAGWJVHYWMTYJA-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP Fc1cccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000885924440 637314131 /nfs/dbraw/zinc/31/41/31/637314131.db2.gz QQRXYYKEDFQLAZ-NQJGMJMASA-N 2 1 274.383 3.055 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886121005 637423649 /nfs/dbraw/zinc/42/36/49/637423649.db2.gz SKXUNJWJOLTPAI-BZUAXINKSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886121005 637423652 /nfs/dbraw/zinc/42/36/52/637423652.db2.gz SKXUNJWJOLTPAI-BZUAXINKSA-N 2 1 270.461 3.044 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCSC(F)(F)F)C2)CC1 ZINC000886185805 637452775 /nfs/dbraw/zinc/45/27/75/637452775.db2.gz IKDKEOZWSGIHNK-UHFFFAOYSA-N 2 1 296.402 3.047 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886320039 637499998 /nfs/dbraw/zinc/49/99/98/637499998.db2.gz YUXKBOXZQLVJDZ-QZTJIDSGSA-N 2 1 294.483 3.142 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@@H]21 ZINC000220349253 637658473 /nfs/dbraw/zinc/65/84/73/637658473.db2.gz UJMLTONQUZXSLZ-RIEGTJTDSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@@H]21 ZINC000220349253 637658477 /nfs/dbraw/zinc/65/84/77/637658477.db2.gz UJMLTONQUZXSLZ-RIEGTJTDSA-N 2 1 282.790 3.038 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134455 637754802 /nfs/dbraw/zinc/75/48/02/637754802.db2.gz KAKQDTMFMABDRY-KBPBESRZSA-N 2 1 297.393 3.274 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242036 637792610 /nfs/dbraw/zinc/79/26/10/637792610.db2.gz ZNKVUCLDYBBYKP-IKGGRYGDSA-N 2 1 264.457 3.133 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000223089221 637849329 /nfs/dbraw/zinc/84/93/29/637849329.db2.gz MITPPLNPNHKIGT-KBPBESRZSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000223089221 637849333 /nfs/dbraw/zinc/84/93/33/637849333.db2.gz MITPPLNPNHKIGT-KBPBESRZSA-N 2 1 266.404 3.077 20 0 CGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000854224756 638027468 /nfs/dbraw/zinc/02/74/68/638027468.db2.gz QVVMEXMLWHFTTO-XSLAGTTESA-N 2 1 288.410 3.049 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)CC1 ZINC000930309069 638274881 /nfs/dbraw/zinc/27/48/81/638274881.db2.gz DZTXMSSICAHINM-QDMKHBRRSA-N 2 1 298.421 3.086 20 0 CGADMP COc1ccnc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000924569945 638364495 /nfs/dbraw/zinc/36/44/95/638364495.db2.gz LXEPKRSLVZUUCK-LBPRGKRZSA-N 2 1 291.439 3.050 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000924570794 638364610 /nfs/dbraw/zinc/36/46/10/638364610.db2.gz CEMOMROEOVSRPH-KURKYZTESA-N 2 1 296.499 3.172 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)[NH+](C)C ZINC000924631782 638380064 /nfs/dbraw/zinc/38/00/64/638380064.db2.gz JASWWHWBVPUEIR-FGTMMUONSA-N 2 1 296.499 3.148 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C(C)C)[NH+](C)C ZINC000924630740 638380088 /nfs/dbraw/zinc/38/00/88/638380088.db2.gz BUOHANFMOBZCEW-ZACQAIPSSA-N 2 1 284.488 3.004 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924688146 638387998 /nfs/dbraw/zinc/38/79/98/638387998.db2.gz QYZYZVJRSXIUEK-UONOGXRCSA-N 2 1 281.469 3.448 20 0 CGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750984 638399160 /nfs/dbraw/zinc/39/91/60/638399160.db2.gz HYDLFBCVQPHALJ-BRWVUGGUSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750984 638399162 /nfs/dbraw/zinc/39/91/62/638399162.db2.gz HYDLFBCVQPHALJ-BRWVUGGUSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)C1 ZINC000924962035 638432204 /nfs/dbraw/zinc/43/22/04/638432204.db2.gz YEXRLESAOGMRGN-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925120591 638456282 /nfs/dbraw/zinc/45/62/82/638456282.db2.gz KTFWERLWBFGELR-CIQAELJKSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925475314 638507535 /nfs/dbraw/zinc/50/75/35/638507535.db2.gz LVVOVAIFNSJOGI-BFZKSOEOSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+])c1cccnc1 ZINC000925538926 638522529 /nfs/dbraw/zinc/52/25/29/638522529.db2.gz WRZVRRUQPWMNHR-AYOQOUSVSA-N 2 1 297.446 3.499 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000925588936 638538681 /nfs/dbraw/zinc/53/86/81/638538681.db2.gz TUUSIDDNOLNFRN-CJNGLKHVSA-N 2 1 293.455 3.310 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000925588936 638538686 /nfs/dbraw/zinc/53/86/86/638538686.db2.gz TUUSIDDNOLNFRN-CJNGLKHVSA-N 2 1 293.455 3.310 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1 ZINC000925652268 638557934 /nfs/dbraw/zinc/55/79/34/638557934.db2.gz PGBONXOSIATVMP-CZUORRHYSA-N 2 1 258.409 3.387 20 0 CGADMP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cccc(C2CC2)c1 ZINC000925676686 638565683 /nfs/dbraw/zinc/56/56/83/638565683.db2.gz SMDBDHSFNFIRRA-GHWNSKRWSA-N 2 1 282.431 3.211 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccccc1 ZINC000925736052 638589669 /nfs/dbraw/zinc/58/96/69/638589669.db2.gz KQSPTVBYFNLZIH-CFVMTHIKSA-N 2 1 282.378 3.490 20 0 CGADMP C[C@H](C1C(C)(C)C1(C)C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747133 638594915 /nfs/dbraw/zinc/59/49/15/638594915.db2.gz FIBMUBOWMLAUHG-SNVBAGLBSA-N 2 1 293.480 3.031 20 0 CGADMP CCC[C@H](C)[C@H](CC)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747377 638595150 /nfs/dbraw/zinc/59/51/50/638595150.db2.gz HLQXHJZSHDYUTD-AAEUAGOBSA-N 2 1 281.469 3.175 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1(C)C ZINC000858135420 638639061 /nfs/dbraw/zinc/63/90/61/638639061.db2.gz UMQNXEHNSNEYCN-BJIFSAINSA-N 2 1 258.409 3.162 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CCCCC3)CC1(C)C ZINC000858193287 638656232 /nfs/dbraw/zinc/65/62/32/638656232.db2.gz BIOAQPJZPUOPFC-UONOGXRCSA-N 2 1 250.430 3.172 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926440346 638771705 /nfs/dbraw/zinc/77/17/05/638771705.db2.gz XNZDAOSGRXMVFU-UQPPLGOBSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926440346 638771708 /nfs/dbraw/zinc/77/17/08/638771708.db2.gz XNZDAOSGRXMVFU-UQPPLGOBSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926755201 638807379 /nfs/dbraw/zinc/80/73/79/638807379.db2.gz VFBNKWVOXAUBNR-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(F)F)C[C@@H]1C ZINC000929781884 638951095 /nfs/dbraw/zinc/95/10/95/638951095.db2.gz SDUJNYGSKUYFEE-STQMWFEESA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)(F)F)C[C@@H]1C ZINC000929781884 638951098 /nfs/dbraw/zinc/95/10/98/638951098.db2.gz SDUJNYGSKUYFEE-STQMWFEESA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)(F)F)C[C@@H]1C ZINC000929781884 638951101 /nfs/dbraw/zinc/95/11/01/638951101.db2.gz SDUJNYGSKUYFEE-STQMWFEESA-N 2 1 262.388 3.226 20 0 CGADMP CC1CC(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000930266595 638987021 /nfs/dbraw/zinc/98/70/21/638987021.db2.gz MBMHQVRPFMYRHU-UHFFFAOYSA-N 2 1 287.451 3.445 20 0 CGADMP CC(C)CCOCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213308 639110934 /nfs/dbraw/zinc/11/09/34/639110934.db2.gz GKDWMSFZHNNZGQ-UHFFFAOYSA-N 2 1 292.467 3.243 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CC/C=C\c3ccccc3)C[C@]2(C)C1 ZINC000931313666 639133752 /nfs/dbraw/zinc/13/37/52/639133752.db2.gz FEKVNPGPUWHGFT-DVYMXEPTSA-N 2 1 284.447 3.364 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CC/C=C\c3ccccc3)C[C@]2(C)C1 ZINC000931313666 639133759 /nfs/dbraw/zinc/13/37/59/639133759.db2.gz FEKVNPGPUWHGFT-DVYMXEPTSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CC/C=C\c3ccccc3)C[C@]2(C)C1 ZINC000931313666 639133764 /nfs/dbraw/zinc/13/37/64/639133764.db2.gz FEKVNPGPUWHGFT-DVYMXEPTSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CC/C=C\c3ccccc3)C[C@]2(C)C1 ZINC000931313666 639133769 /nfs/dbraw/zinc/13/37/69/639133769.db2.gz FEKVNPGPUWHGFT-DVYMXEPTSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](CCSCc2ccccc2)CC1 ZINC000931352385 639139793 /nfs/dbraw/zinc/13/97/93/639139793.db2.gz JZGHDCOFZJCZHY-UHFFFAOYSA-N 2 1 292.492 3.336 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433921 639148165 /nfs/dbraw/zinc/14/81/65/639148165.db2.gz LDARGUOFYMNUMT-GVDBMIGSSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433921 639148166 /nfs/dbraw/zinc/14/81/66/639148166.db2.gz LDARGUOFYMNUMT-GVDBMIGSSA-N 2 1 258.409 3.021 20 0 CGADMP CC[N@@H+](C/C=C\Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000859994892 639264347 /nfs/dbraw/zinc/26/43/47/639264347.db2.gz GWVFXAZGHBPDOA-YHYXMXQVSA-N 2 1 266.816 3.323 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000159322042 640040579 /nfs/dbraw/zinc/04/05/79/640040579.db2.gz SZBHCFUUFZCQPB-UHFFFAOYSA-N 2 1 287.451 3.007 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000247213906 640712658 /nfs/dbraw/zinc/71/26/58/640712658.db2.gz XDZQHIOYXWJFKG-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP Cc1ccc(C)c(OCCC[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091846350 640724679 /nfs/dbraw/zinc/72/46/79/640724679.db2.gz PCFFAJHATWVVDT-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251361075 640825785 /nfs/dbraw/zinc/82/57/85/640825785.db2.gz DILRQBNBWXVFJZ-WTXIUTQJSA-N 2 1 250.430 3.028 20 0 CGADMP C([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000252431517 640845073 /nfs/dbraw/zinc/84/50/73/640845073.db2.gz KOJJBPRPTWVPEV-QBPKDAKJSA-N 2 1 276.468 3.419 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccccc2)CCC1 ZINC000096950547 640846929 /nfs/dbraw/zinc/84/69/29/640846929.db2.gz FVMSODNKPZDSHZ-MRXNPFEDSA-N 2 1 258.409 3.170 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253191747 640874533 /nfs/dbraw/zinc/87/45/33/640874533.db2.gz MNBFTEZNVQLQNR-YRGRVCCFSA-N 2 1 298.377 3.266 20 0 CGADMP Cc1cc[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165047459 721964359 /nfs/dbraw/zinc/96/43/59/721964359.db2.gz SRHRFSSAMFIVKH-MRXNPFEDSA-N 2 1 273.424 3.235 20 0 CGADMP c1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]c2c1CCC2 ZINC001165046056 721968749 /nfs/dbraw/zinc/96/87/49/721968749.db2.gz ABDPJVWQEAKRKZ-KRWDZBQOSA-N 2 1 299.462 3.415 20 0 CGADMP CCCC[NH+](CCCC)CCNc1cc(OC)cc[nH+]1 ZINC001156905813 805748881 /nfs/dbraw/zinc/74/88/81/805748881.db2.gz ZZWSCJQRNZPEBS-UHFFFAOYSA-N 2 1 279.428 3.404 20 0 CGADMP CC(C)n1ccc2c1nc[nH+]c2NCC(C)(C)C[NH+](C)C ZINC001157945138 805906710 /nfs/dbraw/zinc/90/67/10/805906710.db2.gz XGZZMFKAZPTJLP-UHFFFAOYSA-N 2 1 289.427 3.012 20 0 CGADMP C[NH+](C)CCC(C)(C)Nc1[nH+]ccc2ccccc21 ZINC001158753815 805997544 /nfs/dbraw/zinc/99/75/44/805997544.db2.gz JNKCMHQIICFUDR-UHFFFAOYSA-N 2 1 257.381 3.377 20 0 CGADMP Cc1c[nH+]c(N2CCC3(CC2)[NH2+]Cc2ccccc23)c(C)c1 ZINC001159032003 806035358 /nfs/dbraw/zinc/03/53/58/806035358.db2.gz QFMBLPQRXFUPHN-UHFFFAOYSA-N 2 1 293.414 3.297 20 0 CGADMP CCc1ccc(C)[nH+]c1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159107622 806042554 /nfs/dbraw/zinc/04/25/54/806042554.db2.gz SGAZDZDSVJYIMB-UHFFFAOYSA-N 2 1 296.418 3.106 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001252494438 806051707 /nfs/dbraw/zinc/05/17/07/806051707.db2.gz FLCKLADLQANMLS-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001252494438 806051717 /nfs/dbraw/zinc/05/17/17/806051717.db2.gz FLCKLADLQANMLS-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP Cc1[nH+]c2c(Nc3cccc4c3CC[NH2+]C4)cccn2c1C ZINC001159397122 806094437 /nfs/dbraw/zinc/09/44/37/806094437.db2.gz PYGSEZKFPADYTK-UHFFFAOYSA-N 2 1 292.386 3.340 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1cc(C)cc(C)c1 ZINC001253212927 806183051 /nfs/dbraw/zinc/18/30/51/806183051.db2.gz JFXNDRHFUXOSOU-MSOLQXFVSA-N 2 1 292.467 3.047 20 0 CGADMP Cc1c[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(N)c1 ZINC001161680457 806415383 /nfs/dbraw/zinc/41/53/83/806415383.db2.gz RCDCJTQXZRSWDW-HDJSIYSDSA-N 2 1 290.455 3.095 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC001254500992 806421277 /nfs/dbraw/zinc/42/12/77/806421277.db2.gz NSBTXLZOLNVQJP-RTBURBONSA-N 2 1 295.430 3.245 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC001254500992 806421280 /nfs/dbraw/zinc/42/12/80/806421280.db2.gz NSBTXLZOLNVQJP-RTBURBONSA-N 2 1 295.430 3.245 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505921 806424174 /nfs/dbraw/zinc/42/41/74/806424174.db2.gz LXIAVQDUUJKWHL-GOEBONIOSA-N 2 1 278.827 3.401 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccc1F ZINC001254505896 806425243 /nfs/dbraw/zinc/42/52/43/806425243.db2.gz LEVUMIHUNJSQAB-BBRMVZONSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccc1F ZINC001254505896 806425246 /nfs/dbraw/zinc/42/52/46/806425246.db2.gz LEVUMIHUNJSQAB-BBRMVZONSA-N 2 1 264.388 3.351 20 0 CGADMP CC(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254507339 806427445 /nfs/dbraw/zinc/42/74/45/806427445.db2.gz LFMNLYQDJRLSJD-SUMWQHHRSA-N 2 1 274.408 3.024 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254513372 806432649 /nfs/dbraw/zinc/43/26/49/806432649.db2.gz XFXGQMAFFHTKSF-LSDHHAIUSA-N 2 1 276.424 3.220 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254513372 806432652 /nfs/dbraw/zinc/43/26/52/806432652.db2.gz XFXGQMAFFHTKSF-LSDHHAIUSA-N 2 1 276.424 3.220 20 0 CGADMP C[NH2+]Cc1ccc2c(ccn2[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254515709 806436163 /nfs/dbraw/zinc/43/61/63/806436163.db2.gz BDKLGSODFZBIEB-MRXNPFEDSA-N 2 1 271.408 3.018 20 0 CGADMP C[NH2+]Cc1cn([C@@H]2CCC[N@@H+](C)CC2)c2ccc(C)cc12 ZINC001254526144 806442750 /nfs/dbraw/zinc/44/27/50/806442750.db2.gz OKXKNISFPYAFDV-MRXNPFEDSA-N 2 1 285.435 3.326 20 0 CGADMP CN1CCC([N@@H+](C2CCCC2)C2Cc3ccccc3C2)CC1 ZINC001255029330 806529824 /nfs/dbraw/zinc/52/98/24/806529824.db2.gz NUEYGGROWHJTNW-UHFFFAOYSA-N 2 1 298.474 3.493 20 0 CGADMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255289151 806593435 /nfs/dbraw/zinc/59/34/35/806593435.db2.gz FSDJHAHRAWAUKO-KRWDZBQOSA-N 2 1 290.476 3.088 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255289151 806593442 /nfs/dbraw/zinc/59/34/42/806593442.db2.gz FSDJHAHRAWAUKO-KRWDZBQOSA-N 2 1 290.476 3.088 20 0 CGADMP c1ccn(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255384633 806630346 /nfs/dbraw/zinc/63/03/46/806630346.db2.gz ZYPPKAPKOKJWRN-IBGZPJMESA-N 2 1 297.446 3.132 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399511 806632592 /nfs/dbraw/zinc/63/25/92/806632592.db2.gz TYLCXRYAPYEUJF-NJAFHUGGSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399511 806632597 /nfs/dbraw/zinc/63/25/97/806632597.db2.gz TYLCXRYAPYEUJF-NJAFHUGGSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399511 806632603 /nfs/dbraw/zinc/63/26/03/806632603.db2.gz TYLCXRYAPYEUJF-NJAFHUGGSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399511 806632607 /nfs/dbraw/zinc/63/26/07/806632607.db2.gz TYLCXRYAPYEUJF-NJAFHUGGSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001255453146 806642513 /nfs/dbraw/zinc/64/25/13/806642513.db2.gz AGGMOAIIQLYBFN-XYPHTWIQSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001255453134 806642563 /nfs/dbraw/zinc/64/25/63/806642563.db2.gz AGGMOAIIQLYBFN-COXVUDFISA-N 2 1 278.415 3.219 20 0 CGADMP C[N@H+]1CCC[C@@H](n2cc(CC[NH3+])c3ccc(Cl)cc32)C1 ZINC001255476930 806647757 /nfs/dbraw/zinc/64/77/57/806647757.db2.gz IBZILALMZKPZCZ-CQSZACIVSA-N 2 1 291.826 3.063 20 0 CGADMP C[N@H+]1CCC[C@H](n2cc(C3CC[NH2+]CC3)c3ccccc32)C1 ZINC001255487204 806650381 /nfs/dbraw/zinc/65/03/81/806650381.db2.gz SCACFUSIAXUYJZ-INIZCTEOSA-N 2 1 297.446 3.375 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CCC[N@H+](C)C2)n1 ZINC001255493235 806652576 /nfs/dbraw/zinc/65/25/76/806652576.db2.gz WABFWQNVXMJRNL-NVXWUHKLSA-N 2 1 298.434 3.001 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CCC[N@@H+](C)C2)n1 ZINC001255493235 806652584 /nfs/dbraw/zinc/65/25/84/806652584.db2.gz WABFWQNVXMJRNL-NVXWUHKLSA-N 2 1 298.434 3.001 20 0 CGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCOC(C)(C)C1 ZINC001255536884 806668720 /nfs/dbraw/zinc/66/87/20/806668720.db2.gz MLPUXGOSWSLBHF-BZUAXINKSA-N 2 1 282.472 3.172 20 0 CGADMP CC(C)[N@@H+]([C@H](C)CC(F)(F)F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255642697 806689788 /nfs/dbraw/zinc/68/97/88/806689788.db2.gz FAMMLZTUWFGGHE-IJLUTSLNSA-N 2 1 266.351 3.308 20 0 CGADMP CC(C)(C)c1ccc(NC2CC3(C2)CCC[NH2+]C3)[nH+]c1 ZINC001162985848 806690455 /nfs/dbraw/zinc/69/04/55/806690455.db2.gz FEDHIMNASSCQRH-UHFFFAOYSA-N 2 1 273.424 3.323 20 0 CGADMP CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649505 798872011 /nfs/dbraw/zinc/87/20/11/798872011.db2.gz CFEXMPIRNFYGRI-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CCSCC1)C1CCCCC1 ZINC000037860331 798877174 /nfs/dbraw/zinc/87/71/74/798877174.db2.gz XGVFPZRUDUGDAW-UHFFFAOYSA-N 2 1 270.486 3.126 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001255669230 806699769 /nfs/dbraw/zinc/69/97/69/806699769.db2.gz SINUXNKMGOWLML-NPYXIHBLSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001255669230 806699770 /nfs/dbraw/zinc/69/97/70/806699770.db2.gz SINUXNKMGOWLML-NPYXIHBLSA-N 2 1 273.424 3.138 20 0 CGADMP Cc1cnccc1[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255671875 806701467 /nfs/dbraw/zinc/70/14/67/806701467.db2.gz WQCUXQSEZAGAGE-RGPMPMONSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cnccc1[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255671875 806701470 /nfs/dbraw/zinc/70/14/70/806701470.db2.gz WQCUXQSEZAGAGE-RGPMPMONSA-N 2 1 299.462 3.446 20 0 CGADMP C[N@H+](CC1CCCC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681262 806704227 /nfs/dbraw/zinc/70/42/27/806704227.db2.gz QICOMFDQBPTZEU-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+](CC1CCCC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681262 806704229 /nfs/dbraw/zinc/70/42/29/806704229.db2.gz QICOMFDQBPTZEU-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCC1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681262 806704231 /nfs/dbraw/zinc/70/42/31/806704231.db2.gz QICOMFDQBPTZEU-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCC1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681262 806704236 /nfs/dbraw/zinc/70/42/36/806704236.db2.gz QICOMFDQBPTZEU-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255689277 806706933 /nfs/dbraw/zinc/70/69/33/806706933.db2.gz IXUGJOZZBUMLJB-RYUDHWBXSA-N 2 1 266.351 3.168 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255689275 806707097 /nfs/dbraw/zinc/70/70/97/806707097.db2.gz IXUGJOZZBUMLJB-NEPJUHHUSA-N 2 1 266.351 3.168 20 0 CGADMP CC(C)[NH+](CCSCC[C@H]1CCC[N@H+]1C)C(C)C ZINC000160981350 799077992 /nfs/dbraw/zinc/07/79/92/799077992.db2.gz AVWSCUQUMNLVGP-OAHLLOKOSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CCCCCCC2)CC[N@H+]1C ZINC000175999493 799093563 /nfs/dbraw/zinc/09/35/63/799093563.db2.gz ATGQQEZUXAFBLS-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339084283 799280257 /nfs/dbraw/zinc/28/02/57/799280257.db2.gz JRRCYUXQHMIRIM-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379655298 799351734 /nfs/dbraw/zinc/35/17/34/799351734.db2.gz LJKJKVCUPNJQKB-NUJGCVRESA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H](CC[NH2+]C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379649330 799351918 /nfs/dbraw/zinc/35/19/18/799351918.db2.gz OMHDGIPRQWLIAM-OAHLLOKOSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380956353 799369488 /nfs/dbraw/zinc/36/94/88/799369488.db2.gz UVMVYVAMLRNFMB-NJAFHUGGSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000381451575 799379313 /nfs/dbraw/zinc/37/93/13/799379313.db2.gz GZWYOEYCBRKULK-CXAGYDPISA-N 2 1 254.377 3.151 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2ccccc21 ZINC000381451575 799379319 /nfs/dbraw/zinc/37/93/19/799379319.db2.gz GZWYOEYCBRKULK-CXAGYDPISA-N 2 1 254.377 3.151 20 0 CGADMP Cc1ccc(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)[nH+]c1C ZINC001163362385 806747820 /nfs/dbraw/zinc/74/78/20/806747820.db2.gz MZHJBVZIIPTQSL-UKRRQHHQSA-N 2 1 261.413 3.229 20 0 CGADMP Cc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1F ZINC000384530448 799417251 /nfs/dbraw/zinc/41/72/51/799417251.db2.gz ZIANCJLNXPAMTI-CQSZACIVSA-N 2 1 278.415 3.346 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2cc3[nH]ccc3c[nH+]2)[C@@H](C)C1 ZINC001163363376 806747298 /nfs/dbraw/zinc/74/72/98/806747298.db2.gz QMHLWLYRUDNVCD-JSGCOSHPSA-N 2 1 272.396 3.094 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000388241483 799451312 /nfs/dbraw/zinc/45/13/12/799451312.db2.gz DVJGDZAXXVDNEO-KGLIPLIRSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000388241483 799451316 /nfs/dbraw/zinc/45/13/16/799451316.db2.gz DVJGDZAXXVDNEO-KGLIPLIRSA-N 2 1 266.404 3.075 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1C ZINC000389169753 799460940 /nfs/dbraw/zinc/46/09/40/799460940.db2.gz HUZXDVPALVRULU-INIZCTEOSA-N 2 1 260.425 3.173 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC001255874503 806777773 /nfs/dbraw/zinc/77/77/73/806777773.db2.gz AMRSAVCAEOCAIE-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC001255874503 806777778 /nfs/dbraw/zinc/77/77/78/806777778.db2.gz AMRSAVCAEOCAIE-CQSZACIVSA-N 2 1 278.415 3.173 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000693940564 799817348 /nfs/dbraw/zinc/81/73/48/799817348.db2.gz MLMKITZLWWEDFK-GOOCMWNKSA-N 2 1 278.465 3.409 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)s1 ZINC000693925157 799818138 /nfs/dbraw/zinc/81/81/38/799818138.db2.gz KJTQULXECRSKOX-QWHCGFSZSA-N 2 1 252.427 3.191 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000696997646 799842352 /nfs/dbraw/zinc/84/23/52/799842352.db2.gz HINYTORZRMFCEM-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000696997646 799842360 /nfs/dbraw/zinc/84/23/60/799842360.db2.gz HINYTORZRMFCEM-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000700823805 799881637 /nfs/dbraw/zinc/88/16/37/799881637.db2.gz SIUOYUJEENAMEZ-MGPQQGTHSA-N 2 1 292.389 3.429 20 0 CGADMP CCC[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000708489731 799990844 /nfs/dbraw/zinc/99/08/44/799990844.db2.gz JYXXRVPDQVHKOL-HNSVSWJLSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](CC)CC)c1ccccn1 ZINC001255947822 806793736 /nfs/dbraw/zinc/79/37/36/806793736.db2.gz XDROVQNCYYBPHO-HUUCEWRRSA-N 2 1 263.429 3.243 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)c(OC)c1 ZINC001255951059 806794954 /nfs/dbraw/zinc/79/49/54/806794954.db2.gz MNTBPPVXCLHHIL-ZDUSSCGKSA-N 2 1 282.403 3.044 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001255953189 806796872 /nfs/dbraw/zinc/79/68/72/806796872.db2.gz YMLAHZXJYOQAGR-INIZCTEOSA-N 3 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC001255953747 806796891 /nfs/dbraw/zinc/79/68/91/806796891.db2.gz NTVXCUGBZXEPPY-SUMWQHHRSA-N 2 1 293.430 3.382 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCc2cc(C)ncc21 ZINC001255954300 806796929 /nfs/dbraw/zinc/79/69/29/806796929.db2.gz SWCCZFAPIKILDI-SUMWQHHRSA-N 2 1 275.440 3.087 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)cc1F ZINC000710800879 800039838 /nfs/dbraw/zinc/03/98/38/800039838.db2.gz ZSTVCUXLQRJRRS-UHFFFAOYSA-N 2 1 272.795 3.430 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001255955758 806797822 /nfs/dbraw/zinc/79/78/22/806797822.db2.gz DKOYDQWOZYXBBB-KBPBESRZSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001255957608 806798308 /nfs/dbraw/zinc/79/83/08/806798308.db2.gz SQFNYIVTFMRDTR-OLZOCXBDSA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001255957608 806798313 /nfs/dbraw/zinc/79/83/13/806798313.db2.gz SQFNYIVTFMRDTR-OLZOCXBDSA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001255955760 806798557 /nfs/dbraw/zinc/79/85/57/806798557.db2.gz DKOYDQWOZYXBBB-KGLIPLIRSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC001255958244 806799865 /nfs/dbraw/zinc/79/98/65/806799865.db2.gz ADQUJEDRKXEBIM-HNNXBMFYSA-N 2 1 278.440 3.247 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC001255958244 806799870 /nfs/dbraw/zinc/79/98/70/806799870.db2.gz ADQUJEDRKXEBIM-HNNXBMFYSA-N 2 1 278.440 3.247 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001255961497 806800253 /nfs/dbraw/zinc/80/02/53/806800253.db2.gz NITYICMVRUDRFX-SJLPKXTDSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001255961497 806800261 /nfs/dbraw/zinc/80/02/61/806800261.db2.gz NITYICMVRUDRFX-SJLPKXTDSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001255961541 806800519 /nfs/dbraw/zinc/80/05/19/806800519.db2.gz NSUIOHUCEBTXIU-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001255961541 806800529 /nfs/dbraw/zinc/80/05/29/806800529.db2.gz NSUIOHUCEBTXIU-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001255963773 806802520 /nfs/dbraw/zinc/80/25/20/806802520.db2.gz KFFZNKQDBPFMND-LBPRGKRZSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccsc1 ZINC001255965057 806803161 /nfs/dbraw/zinc/80/31/61/806803161.db2.gz XJQGJHMQTQYGHI-ZDUSSCGKSA-N 2 1 254.443 3.300 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC001255965057 806803169 /nfs/dbraw/zinc/80/31/69/806803169.db2.gz XJQGJHMQTQYGHI-ZDUSSCGKSA-N 2 1 254.443 3.300 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C1CCC1)C1CCOCC1 ZINC001255969371 806803376 /nfs/dbraw/zinc/80/33/76/806803376.db2.gz YYPQSTZJPHWDCB-HNNXBMFYSA-N 2 1 282.472 3.140 20 0 CGADMP CCCOc1ccc(C[NH+]2CCC([NH3+])(CC)CC2)cc1 ZINC000714752621 800128295 /nfs/dbraw/zinc/12/82/95/800128295.db2.gz CRPBQBLAMSJDIB-UHFFFAOYSA-N 2 1 276.424 3.179 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256073681 806812711 /nfs/dbraw/zinc/81/27/11/806812711.db2.gz AAMASCQOPWJKEM-IRXDYDNUSA-N 2 1 290.838 3.412 20 0 CGADMP CCC1CCC([N@H+]2Cc3ccccc3C[C@@H]2CN)CC1 ZINC000721532693 800292593 /nfs/dbraw/zinc/29/25/93/800292593.db2.gz DATXBTXVTOFDAQ-IUPXNIOVSA-N 2 1 272.436 3.341 20 0 CGADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105327 806820858 /nfs/dbraw/zinc/82/08/58/806820858.db2.gz CTVIYPOEZSZNAJ-HOTGVXAUSA-N 2 1 269.392 3.283 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723692167 800337671 /nfs/dbraw/zinc/33/76/71/800337671.db2.gz XWALTEKCYHYIFF-QWRGUYRKSA-N 2 1 270.779 3.211 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723903017 800344159 /nfs/dbraw/zinc/34/41/59/800344159.db2.gz SLLQGOYFUZNKME-YRGRVCCFSA-N 2 1 266.816 3.318 20 0 CGADMP CSCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000725123095 800373944 /nfs/dbraw/zinc/37/39/44/800373944.db2.gz JNWFMPHBIZMTDI-DLBZAZTESA-N 2 1 290.476 3.266 20 0 CGADMP CSCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000725123095 800373952 /nfs/dbraw/zinc/37/39/52/800373952.db2.gz JNWFMPHBIZMTDI-DLBZAZTESA-N 2 1 290.476 3.266 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256143795 806833395 /nfs/dbraw/zinc/83/33/95/806833395.db2.gz HGMXPHOAYBQEFU-MRXNPFEDSA-N 2 1 292.467 3.338 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256143795 806833404 /nfs/dbraw/zinc/83/34/04/806833404.db2.gz HGMXPHOAYBQEFU-MRXNPFEDSA-N 2 1 292.467 3.338 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccc(F)cc2)CC1 ZINC001256198907 806847771 /nfs/dbraw/zinc/84/77/71/806847771.db2.gz BZVKYAXWVJFIAN-KRWDZBQOSA-N 2 1 276.399 3.351 20 0 CGADMP CC[C@H](C)C1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256200579 806847882 /nfs/dbraw/zinc/84/78/82/806847882.db2.gz XBJNEDVWFBXEDO-NFOMZHRRSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001256198009 806847937 /nfs/dbraw/zinc/84/79/37/806847937.db2.gz XRZPGPQCBJUZLE-INIZCTEOSA-N 2 1 264.388 3.351 20 0 CGADMP CC(C)CC[C@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001256359615 806866135 /nfs/dbraw/zinc/86/61/35/806866135.db2.gz TYKYYGRVLYNJIW-HNNXBMFYSA-N 2 1 275.440 3.156 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCn2cccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256524072 806908883 /nfs/dbraw/zinc/90/88/83/806908883.db2.gz UWDSSDLIRHDQJZ-HKUYNNGSSA-N 2 1 297.446 3.131 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCn2cccc2)CC[N@H+]1Cc1ccccc1 ZINC001256524072 806908887 /nfs/dbraw/zinc/90/88/87/806908887.db2.gz UWDSSDLIRHDQJZ-HKUYNNGSSA-N 2 1 297.446 3.131 20 0 CGADMP CC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256564477 806916788 /nfs/dbraw/zinc/91/67/88/806916788.db2.gz NFQPLPWSCFWZDO-UHFFFAOYSA-N 2 1 288.435 3.242 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256624268 806928707 /nfs/dbraw/zinc/92/87/07/806928707.db2.gz WSJFKAYBLHKXNK-JTUUTPGSSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256624268 806928710 /nfs/dbraw/zinc/92/87/10/806928710.db2.gz WSJFKAYBLHKXNK-JTUUTPGSSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256624268 806928712 /nfs/dbraw/zinc/92/87/12/806928712.db2.gz WSJFKAYBLHKXNK-JTUUTPGSSA-N 2 1 270.420 3.231 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC001116291233 802327029 /nfs/dbraw/zinc/32/70/29/802327029.db2.gz LPKKXHGQTNWEQI-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118242987 802541142 /nfs/dbraw/zinc/54/11/42/802541142.db2.gz MFQPQYQGTWSPNW-HNNXBMFYSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc2ncccc12 ZINC001119246108 802638275 /nfs/dbraw/zinc/63/82/75/802638275.db2.gz YBWKQGDZLSOGRE-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ncccc12 ZINC001119246108 802638279 /nfs/dbraw/zinc/63/82/79/802638279.db2.gz YBWKQGDZLSOGRE-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ncccc12 ZINC001119246108 802638281 /nfs/dbraw/zinc/63/82/81/802638281.db2.gz YBWKQGDZLSOGRE-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2ncccc12 ZINC001119246108 802638285 /nfs/dbraw/zinc/63/82/85/802638285.db2.gz YBWKQGDZLSOGRE-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2ncccc12 ZINC001119246108 802638289 /nfs/dbraw/zinc/63/82/89/802638289.db2.gz YBWKQGDZLSOGRE-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@]3(CCN(c4cc[nH+]cc4)C3)C2)cc1 ZINC001120779208 802776789 /nfs/dbraw/zinc/77/67/89/802776789.db2.gz BLFGJLLFPCCGKI-LJQANCHMSA-N 2 1 293.414 3.184 20 0 CGADMP C1[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C12CCCC2 ZINC001256908873 807007018 /nfs/dbraw/zinc/00/70/18/807007018.db2.gz QVORQJZZBQILMU-ZBFHGGJFSA-N 2 1 262.441 3.316 20 0 CGADMP C1[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C12CCCC2 ZINC001256908873 807007023 /nfs/dbraw/zinc/00/70/23/807007023.db2.gz QVORQJZZBQILMU-ZBFHGGJFSA-N 2 1 262.441 3.316 20 0 CGADMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205281171 812928280 /nfs/dbraw/zinc/92/82/80/812928280.db2.gz QSSOERPGNCQCDF-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205281171 812928283 /nfs/dbraw/zinc/92/82/83/812928283.db2.gz QSSOERPGNCQCDF-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206810874 813443223 /nfs/dbraw/zinc/44/32/23/813443223.db2.gz QGJFQASSTFFQDI-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206810874 813443226 /nfs/dbraw/zinc/44/32/26/813443226.db2.gz QGJFQASSTFFQDI-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206807953 813443452 /nfs/dbraw/zinc/44/34/52/813443452.db2.gz IYJUYVBJYUKDFF-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206807953 813443458 /nfs/dbraw/zinc/44/34/58/813443458.db2.gz IYJUYVBJYUKDFF-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1CCCC2 ZINC001206812226 813443842 /nfs/dbraw/zinc/44/38/42/813443842.db2.gz YIJBXSVJNDIGND-GJZGRUSLSA-N 2 1 272.436 3.125 20 0 CGADMP COc1cc(C)[nH+]cc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245356380 803710674 /nfs/dbraw/zinc/71/06/74/803710674.db2.gz MVPQWHSWGJOAQP-INIZCTEOSA-N 2 1 268.360 3.490 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001137339899 803718777 /nfs/dbraw/zinc/71/87/77/803718777.db2.gz ITRRNRSPJNESAQ-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001137339899 803718786 /nfs/dbraw/zinc/71/87/86/803718786.db2.gz ITRRNRSPJNESAQ-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ccc(F)cc12 ZINC001137339829 803719008 /nfs/dbraw/zinc/71/90/08/803719008.db2.gz GLPJVQHBPKLOFK-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ccc(F)cc12 ZINC001137339829 803719009 /nfs/dbraw/zinc/71/90/09/803719009.db2.gz GLPJVQHBPKLOFK-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](Cc3c(F)ccc(F)c3F)C2)CC1 ZINC001137932224 803800617 /nfs/dbraw/zinc/80/06/17/803800617.db2.gz OEXQUGLSYSWBQF-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(F)ccc(F)c3F)C2)CC1 ZINC001137932224 803800624 /nfs/dbraw/zinc/80/06/24/803800624.db2.gz OEXQUGLSYSWBQF-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2[nH]c3ccccc3c2C)CC1 ZINC001138402207 803920262 /nfs/dbraw/zinc/92/02/62/803920262.db2.gz JRSVYQMIXIKJNT-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2[nH]c3ccccc3c2C)CC1 ZINC001138402207 803920269 /nfs/dbraw/zinc/92/02/69/803920269.db2.gz JRSVYQMIXIKJNT-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[N@@H+](Cc1cc2cc(C)ccc2[nH]1)C1CCN(C)CC1 ZINC001138416010 803922799 /nfs/dbraw/zinc/92/27/99/803922799.db2.gz QBJKHVJCKXSXDJ-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CCN(Cc1cc2cc(C)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001138416010 803922806 /nfs/dbraw/zinc/92/28/06/803922806.db2.gz QBJKHVJCKXSXDJ-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC001138551467 803966471 /nfs/dbraw/zinc/96/64/71/803966471.db2.gz HVIPOGCXSZPOMK-KDOFPFPSSA-N 2 1 299.418 3.180 20 0 CGADMP CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC001138551467 803966477 /nfs/dbraw/zinc/96/64/77/803966477.db2.gz HVIPOGCXSZPOMK-KDOFPFPSSA-N 2 1 299.418 3.180 20 0 CGADMP CCCCC[C@@H](O)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068865 804108927 /nfs/dbraw/zinc/10/89/27/804108927.db2.gz JQWBSRHFMFSCFY-KBAYOESNSA-N 2 1 296.499 3.442 20 0 CGADMP Fc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246072632 804110482 /nfs/dbraw/zinc/11/04/82/804110482.db2.gz QDWPVCVCZKOTCF-MSOLQXFVSA-N 2 1 298.405 3.279 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246073581 804111969 /nfs/dbraw/zinc/11/19/69/804111969.db2.gz HPGFTEOEEWWWJN-LSDHHAIUSA-N 2 1 282.378 3.221 20 0 CGADMP [NH3+]CCCCCCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246082216 804118921 /nfs/dbraw/zinc/11/89/21/804118921.db2.gz VYPLSBXURYRXBR-KRWDZBQOSA-N 3 1 295.515 3.282 20 0 CGADMP [NH3+]CCCCCCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246082216 804118926 /nfs/dbraw/zinc/11/89/26/804118926.db2.gz VYPLSBXURYRXBR-KRWDZBQOSA-N 3 1 295.515 3.282 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC[NH2+]1 ZINC001246114993 804146771 /nfs/dbraw/zinc/14/67/71/804146771.db2.gz PJMBKGWKSQVKCA-BFYDXBDKSA-N 2 1 288.435 3.411 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246178522 804192422 /nfs/dbraw/zinc/19/24/22/804192422.db2.gz OXEYFNAGVSERCR-MSOLQXFVSA-N 2 1 292.442 3.325 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246180368 804193959 /nfs/dbraw/zinc/19/39/59/804193959.db2.gz JDZJNNIIBFXRMB-CABCVRRESA-N 2 1 296.842 3.215 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@@]2(F)CCC[NH2+]C2)CC1 ZINC001246181856 804195765 /nfs/dbraw/zinc/19/57/65/804195765.db2.gz SGHGPCPSFGBPSH-ZBCRRDGASA-N 2 1 270.436 3.273 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246190696 804199841 /nfs/dbraw/zinc/19/98/41/804199841.db2.gz RNIAIKPAKLEJBA-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]Cc1c(C)cc(Cl)cc1Cl ZINC001246196459 804203270 /nfs/dbraw/zinc/20/32/70/804203270.db2.gz FXZZVGTYEYHHHA-JTQLQIEISA-N 2 1 275.223 3.389 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246197042 804203994 /nfs/dbraw/zinc/20/39/94/804203994.db2.gz XVHXDHUYCITXCH-IXDOHACOSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246218623 804213368 /nfs/dbraw/zinc/21/33/68/804213368.db2.gz CAPVMBKQJHTSER-UONOGXRCSA-N 2 1 276.415 3.426 20 0 CGADMP C[C@H]1CC([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)C[C@H](C)C1 ZINC001246221041 804214382 /nfs/dbraw/zinc/21/43/82/804214382.db2.gz NHNKYQCNLFMXHX-BZPMIXESSA-N 2 1 274.399 3.036 20 0 CGADMP CCCC[C@@H](CC)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246220580 804215037 /nfs/dbraw/zinc/21/50/37/804215037.db2.gz LJKXBLVJZGEPJW-OLZOCXBDSA-N 2 1 262.388 3.180 20 0 CGADMP CC[C@H](CC(C)C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246223018 804217981 /nfs/dbraw/zinc/21/79/81/804217981.db2.gz UKEJZRUDHJTXLW-CHWSQXEVSA-N 2 1 262.388 3.036 20 0 CGADMP CCOc1ccc(C[N@H+](CC)CCC[NH+](C)C)cc1CC ZINC001139626368 804236893 /nfs/dbraw/zinc/23/68/93/804236893.db2.gz RHSWGVYWZHVDBZ-UHFFFAOYSA-N 2 1 292.467 3.421 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1CC ZINC001139626368 804236901 /nfs/dbraw/zinc/23/69/01/804236901.db2.gz RHSWGVYWZHVDBZ-UHFFFAOYSA-N 2 1 292.467 3.421 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2OC)CC[NH2+]1 ZINC001246268802 804247822 /nfs/dbraw/zinc/24/78/22/804247822.db2.gz ZSVWWOOSBGLVLS-CVEARBPZSA-N 2 1 294.414 3.235 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC[NH2+]1 ZINC001246275578 804251045 /nfs/dbraw/zinc/25/10/45/804251045.db2.gz AMMGOHWCUSUFNF-ZLIFDBKOSA-N 2 1 294.389 3.318 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C[NH2+]1 ZINC001246279274 804255312 /nfs/dbraw/zinc/25/53/12/804255312.db2.gz LLJYZZXANAHZRM-XVSSEFHLSA-N 2 1 278.362 3.085 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])Cc2ccccc2)CC(C)(C)C1 ZINC001246299597 804266026 /nfs/dbraw/zinc/26/60/26/804266026.db2.gz KXGMQFBOOKLWGA-PVAVHDDUSA-N 2 1 274.452 3.361 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299340 804266313 /nfs/dbraw/zinc/26/63/13/804266313.db2.gz JJDRTSMAAMAZMD-BHYGNILZSA-N 2 1 262.441 3.361 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246344900 804296148 /nfs/dbraw/zinc/29/61/48/804296148.db2.gz KTBFOWOYQHWFSQ-RISCZKNCSA-N 2 1 284.444 3.269 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001246344237 804296334 /nfs/dbraw/zinc/29/63/34/804296334.db2.gz PEYQAOQLFFEFBJ-AWEZNQCLSA-N 2 1 278.827 3.413 20 0 CGADMP c1ccc2c(c1)NC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246355865 804302124 /nfs/dbraw/zinc/30/21/24/804302124.db2.gz LHGIINMZUONAKU-WMLDXEAASA-N 2 1 285.435 3.198 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246364894 804305964 /nfs/dbraw/zinc/30/59/64/804305964.db2.gz VCJRHVJOUYLIOJ-HYVNUMGLSA-N 2 1 260.425 3.128 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C[NH2+]1 ZINC001246382961 804314522 /nfs/dbraw/zinc/31/45/22/804314522.db2.gz GOLQVNWZZOMNFI-WFASDCNBSA-N 2 1 278.827 3.003 20 0 CGADMP CC1(C)C[NH2+]C[C@H](C[NH2+][C@H]2CCCC3(CCCCC3)C2)O1 ZINC001246412758 804325776 /nfs/dbraw/zinc/32/57/76/804325776.db2.gz MSEPNXYUATYUTA-JKSUJKDBSA-N 2 1 294.483 3.236 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)C[NH2+]1 ZINC001246438773 804333513 /nfs/dbraw/zinc/33/35/13/804333513.db2.gz ZWFXQWOELMBGHY-XJKSGUPXSA-N 2 1 278.415 3.125 20 0 CGADMP CCCCCC1CCC([NH2+]CCC[NH2+]CCC[NH3+])CC1 ZINC001246456153 804338960 /nfs/dbraw/zinc/33/89/60/804338960.db2.gz ZVFSBVWMMDRRHV-UHFFFAOYSA-N 3 1 283.504 3.044 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246484593 804355451 /nfs/dbraw/zinc/35/54/51/804355451.db2.gz XZYFTAUVLJRXTG-GOEBONIOSA-N 2 1 296.405 3.151 20 0 CGADMP CO[C@H]1CCC[N@@H+](Cc2ccccc2-n2ccnc2C)CC1 ZINC001140025853 804355917 /nfs/dbraw/zinc/35/59/17/804355917.db2.gz DLGUADWZKKKSPM-KRWDZBQOSA-N 2 1 299.418 3.182 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246486477 804356014 /nfs/dbraw/zinc/35/60/14/804356014.db2.gz JWXJBLXQEDQHCV-CVEARBPZSA-N 2 1 296.405 3.232 20 0 CGADMP c1ccc2c(c1)CCC21CCC([NH2+][C@@H]2C[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001246502242 804363921 /nfs/dbraw/zinc/36/39/21/804363921.db2.gz GUQFLWWZEIKYPN-BFGUNEOZSA-N 2 1 296.458 3.011 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246517630 804372418 /nfs/dbraw/zinc/37/24/18/804372418.db2.gz AKLCFHQEZDGTBU-PJPHBNEVSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C(C)(C)C)C[NH2+]1 ZINC001246519689 804374133 /nfs/dbraw/zinc/37/41/33/804374133.db2.gz POCQVFIMGCAGGV-GDBMZVCRSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C(C)(C)C)C[NH2+]1 ZINC001246519689 804374142 /nfs/dbraw/zinc/37/41/42/804374142.db2.gz POCQVFIMGCAGGV-GDBMZVCRSA-N 2 1 260.425 3.428 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001246524843 804379506 /nfs/dbraw/zinc/37/95/06/804379506.db2.gz SOWBMOHWZMFQGJ-LJQANCHMSA-N 2 1 298.474 3.318 20 0 CGADMP CCC[N@@H+]([C@H](C)CC)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246530001 804381433 /nfs/dbraw/zinc/38/14/33/804381433.db2.gz MRMDNWWUDDVUDO-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246530363 804381751 /nfs/dbraw/zinc/38/17/51/804381751.db2.gz LNOJERRDRLYFDM-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246530257 804382163 /nfs/dbraw/zinc/38/21/63/804382163.db2.gz KVZAZVWLYHLJPO-OALUTQOASA-N 2 1 286.463 3.472 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]CC2)c1 ZINC001246538745 804387671 /nfs/dbraw/zinc/38/76/71/804387671.db2.gz NOLYNIUKMVTJQZ-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246538826 804388904 /nfs/dbraw/zinc/38/89/04/804388904.db2.gz OFMFDEBGURHIQK-XIRDDKMYSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246540512 804389427 /nfs/dbraw/zinc/38/94/27/804389427.db2.gz AZUKTULJJKYIGO-ZBFHGGJFSA-N 2 1 270.420 3.280 20 0 CGADMP CCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246545097 804392917 /nfs/dbraw/zinc/39/29/17/804392917.db2.gz XOUSSSMRTMISIR-YHUYYLMFSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246546463 804395784 /nfs/dbraw/zinc/39/57/84/804395784.db2.gz MZPSXEOILMFJID-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001246547026 804396616 /nfs/dbraw/zinc/39/66/16/804396616.db2.gz ADZHFMDKWSOOAJ-CABCVRRESA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001246547026 804396623 /nfs/dbraw/zinc/39/66/23/804396623.db2.gz ADZHFMDKWSOOAJ-CABCVRRESA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001246547959 804397026 /nfs/dbraw/zinc/39/70/26/804397026.db2.gz DGYZZMREPWVBSO-BQFCYCMXSA-N 2 1 274.452 3.233 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552134 804402739 /nfs/dbraw/zinc/40/27/39/804402739.db2.gz RUQVSBOURXQSKB-CABCVRRESA-N 2 1 258.425 3.354 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001246551907 804403005 /nfs/dbraw/zinc/40/30/05/804403005.db2.gz SKLHRPIDBSETBI-KGLIPLIRSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001246551907 804403010 /nfs/dbraw/zinc/40/30/10/804403010.db2.gz SKLHRPIDBSETBI-KGLIPLIRSA-N 2 1 280.843 3.202 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001246555248 804404251 /nfs/dbraw/zinc/40/42/51/804404251.db2.gz GBELVBVNISQAFM-CJNGLKHVSA-N 2 1 296.405 3.096 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CC(C)(C)C1 ZINC001246563480 804411733 /nfs/dbraw/zinc/41/17/33/804411733.db2.gz KBUXLGPORBYMBQ-BARDWOONSA-N 2 1 252.446 3.260 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246564731 804414277 /nfs/dbraw/zinc/41/42/77/804414277.db2.gz ZUQWEOPSEXIHCN-BZUAXINKSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001246567850 804415234 /nfs/dbraw/zinc/41/52/34/804415234.db2.gz MVJKXRWDNZUIGJ-RYRKJORJSA-N 2 1 274.452 3.233 20 0 CGADMP F[C@@H]1CCCC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246569049 804417289 /nfs/dbraw/zinc/41/72/89/804417289.db2.gz URCBDQANRTVINQ-HUUCEWRRSA-N 2 1 268.420 3.265 20 0 CGADMP F[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246569049 804417293 /nfs/dbraw/zinc/41/72/93/804417293.db2.gz URCBDQANRTVINQ-HUUCEWRRSA-N 2 1 268.420 3.265 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CSc3ccccc3C2)CCC[C@H]1C[NH3+] ZINC001246569076 804417916 /nfs/dbraw/zinc/41/79/16/804417916.db2.gz PTFPGZYVCSIBBF-KBMXLJTQSA-N 2 1 290.476 3.010 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001246579958 804424742 /nfs/dbraw/zinc/42/47/42/804424742.db2.gz DOQCCFQSEZRVNQ-CRAIPNDOSA-N 2 1 274.452 3.241 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCC(F)(F)CC2)C1 ZINC001246587225 804429949 /nfs/dbraw/zinc/42/99/49/804429949.db2.gz WCTQXJWCYFVGNL-CYBMUJFWSA-N 2 1 260.372 3.015 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586323 804430294 /nfs/dbraw/zinc/43/02/94/804430294.db2.gz TTWGCIWFWAGDOA-PBHICJAKSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246592392 804433004 /nfs/dbraw/zinc/43/30/04/804433004.db2.gz QLKHEVFAYSSLMK-RDBSUJKOSA-N 2 1 280.843 3.330 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246590701 804434245 /nfs/dbraw/zinc/43/42/45/804434245.db2.gz KQJKXEJRNZUYGI-UPJWGTAASA-N 2 1 298.833 3.469 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246590701 804434246 /nfs/dbraw/zinc/43/42/46/804434246.db2.gz KQJKXEJRNZUYGI-UPJWGTAASA-N 2 1 298.833 3.469 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001246592684 804435154 /nfs/dbraw/zinc/43/51/54/804435154.db2.gz GTAGTCVUXSGDDR-GJZGRUSLSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001246592684 804435158 /nfs/dbraw/zinc/43/51/58/804435158.db2.gz GTAGTCVUXSGDDR-GJZGRUSLSA-N 2 1 278.465 3.159 20 0 CGADMP CC(C)[N@@H+]([C@@H]1CCC(C)(C)C1)[C@H]1CCC[NH2+]CC1 ZINC001246597618 804437555 /nfs/dbraw/zinc/43/75/55/804437555.db2.gz XSAZPJHJVMBJQJ-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP CCSC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246602127 804440654 /nfs/dbraw/zinc/44/06/54/804440654.db2.gz KDXHFWOBNCHASN-HOTGVXAUSA-N 2 1 284.513 3.374 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246605446 804442023 /nfs/dbraw/zinc/44/20/23/804442023.db2.gz JTRMTCIRAJVNNE-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001246611621 804446794 /nfs/dbraw/zinc/44/67/94/804446794.db2.gz UTLNORJIRUKPJT-VQIMIIECSA-N 2 1 286.463 3.398 20 0 CGADMP c1ccc2c(c1)CCC21CCC([NH+]2CC3(C2)CC[NH2+]C3)CC1 ZINC001246611694 804447527 /nfs/dbraw/zinc/44/75/27/804447527.db2.gz GYOVGUZROONELF-UHFFFAOYSA-N 2 1 296.458 3.109 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3CCC[C@@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246615517 804450518 /nfs/dbraw/zinc/45/05/18/804450518.db2.gz WLFJDMQAAUFPGK-KZNAEPCWSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CCC[C@@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246615517 804450521 /nfs/dbraw/zinc/45/05/21/804450521.db2.gz WLFJDMQAAUFPGK-KZNAEPCWSA-N 2 1 270.420 3.151 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617186 804452347 /nfs/dbraw/zinc/45/23/47/804452347.db2.gz YIQSTLZEKKTJOH-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617186 804452350 /nfs/dbraw/zinc/45/23/50/804452350.db2.gz YIQSTLZEKKTJOH-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246622046 804455063 /nfs/dbraw/zinc/45/50/63/804455063.db2.gz MRUAVEJOIDYUOZ-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246622046 804455065 /nfs/dbraw/zinc/45/50/65/804455065.db2.gz MRUAVEJOIDYUOZ-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246627510 804458953 /nfs/dbraw/zinc/45/89/53/804458953.db2.gz KLZAAYQRZOZYNQ-IBGZPJMESA-N 2 1 284.447 3.010 20 0 CGADMP C1[NH2+]C[C@H]2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]12 ZINC001246628068 804459462 /nfs/dbraw/zinc/45/94/62/804459462.db2.gz WSTGQIXCPOAPOR-OWCLPIDISA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246630567 804461414 /nfs/dbraw/zinc/46/14/14/804461414.db2.gz PIWNLVOZEBDRDS-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631844 804462917 /nfs/dbraw/zinc/46/29/17/804462917.db2.gz SVQJURSGHIVGQF-BLLLJJGKSA-N 2 1 296.817 3.096 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631844 804462921 /nfs/dbraw/zinc/46/29/21/804462921.db2.gz SVQJURSGHIVGQF-BLLLJJGKSA-N 2 1 296.817 3.096 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246633667 804463936 /nfs/dbraw/zinc/46/39/36/804463936.db2.gz LRWACYUEIOMKGY-OAGGEKHMSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634749 804464578 /nfs/dbraw/zinc/46/45/78/804464578.db2.gz ORKKLTSVDLQBGP-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643939 804469957 /nfs/dbraw/zinc/46/99/57/804469957.db2.gz OMGRCBKZGMKGRN-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643939 804469964 /nfs/dbraw/zinc/46/99/64/804469964.db2.gz OMGRCBKZGMKGRN-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643733 804471040 /nfs/dbraw/zinc/47/10/40/804471040.db2.gz PTMKXPWQGQLBDX-SFHVURJKSA-N 2 1 295.515 3.153 20 0 CGADMP C1C[C@H]2[C@H](CC[N@H+]2C2CCC3(CCCCC3)CC2)[NH2+]1 ZINC001246644313 804471973 /nfs/dbraw/zinc/47/19/73/804471973.db2.gz FQXAXEIHAOCVEK-HOTGVXAUSA-N 2 1 262.441 3.316 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC001246644387 804472244 /nfs/dbraw/zinc/47/22/44/804472244.db2.gz HFKWHDKIHXUNAI-UHFFFAOYSA-N 2 1 264.457 3.405 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCCC[N@H+]2C1CCCCCCC1 ZINC001246644465 804472560 /nfs/dbraw/zinc/47/25/60/804472560.db2.gz QDRXWRSRTUGWEI-MRXNPFEDSA-N 2 1 250.430 3.317 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCCC[N@H+]2C1CCCCCCC1 ZINC001246644464 804472668 /nfs/dbraw/zinc/47/26/68/804472668.db2.gz QDRXWRSRTUGWEI-INIZCTEOSA-N 2 1 250.430 3.317 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001246648257 804475391 /nfs/dbraw/zinc/47/53/91/804475391.db2.gz XEGXZJDSLHQCPL-ZOODHJKOSA-N 2 1 298.352 3.060 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246648257 804475395 /nfs/dbraw/zinc/47/53/95/804475395.db2.gz XEGXZJDSLHQCPL-ZOODHJKOSA-N 2 1 298.352 3.060 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650024 804477643 /nfs/dbraw/zinc/47/76/43/804477643.db2.gz GBHJBDULSUWTDH-ULQDDVLXSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246650603 804479190 /nfs/dbraw/zinc/47/91/90/804479190.db2.gz UWMYUBIAOWZEMZ-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP C1C[C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)CC[C@@H]2C1 ZINC001246655078 804480224 /nfs/dbraw/zinc/48/02/24/804480224.db2.gz JSKRGULNQSWMBM-HOTGVXAUSA-N 2 1 276.468 3.421 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@@H]4CCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246656157 804480320 /nfs/dbraw/zinc/48/03/20/804480320.db2.gz MNEJXIDPPNIWJZ-MTQWCTHYSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@@H]4CCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246656157 804480324 /nfs/dbraw/zinc/48/03/24/804480324.db2.gz MNEJXIDPPNIWJZ-MTQWCTHYSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246658789 804484254 /nfs/dbraw/zinc/48/42/54/804484254.db2.gz AOZUEHCJBNRLAL-TVFCKZIOSA-N 2 1 270.420 3.149 20 0 CGADMP C1C[C@H]2[C@@H](CC[N@H+]2[C@@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246662489 804485255 /nfs/dbraw/zinc/48/52/55/804485255.db2.gz HPDCCPKOPMDTGP-OAGGEKHMSA-N 2 1 262.441 3.316 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3C[C@H]4CC[NH2+]C[C@H]43)C2)cc1 ZINC001246662429 804485683 /nfs/dbraw/zinc/48/56/83/804485683.db2.gz JAKIDKYEMLFXSZ-BRSBDYLESA-N 2 1 270.420 3.007 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001246663467 804486956 /nfs/dbraw/zinc/48/69/56/804486956.db2.gz VCMBTSBYVRPQSI-ZOBUZTSGSA-N 2 1 290.476 3.159 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246663560 804487295 /nfs/dbraw/zinc/48/72/95/804487295.db2.gz VXVQPDZOIONTJE-XSLAGTTESA-N 2 1 272.436 3.209 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246663559 804487319 /nfs/dbraw/zinc/48/73/19/804487319.db2.gz VXVQPDZOIONTJE-MHORFTMASA-N 2 1 272.436 3.209 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246668238 804488080 /nfs/dbraw/zinc/48/80/80/804488080.db2.gz XNEKDXRRNROLHA-KSZLIROESA-N 2 1 272.436 3.080 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246668238 804488085 /nfs/dbraw/zinc/48/80/85/804488085.db2.gz XNEKDXRRNROLHA-KSZLIROESA-N 2 1 272.436 3.080 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246675659 804490731 /nfs/dbraw/zinc/49/07/31/804490731.db2.gz QOWNTMSTFYYKJV-KSZLIROESA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677374 804491645 /nfs/dbraw/zinc/49/16/45/804491645.db2.gz ICBQMPQUIPDSLL-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246695100 804499096 /nfs/dbraw/zinc/49/90/96/804499096.db2.gz OJCIGWRCTYDIHF-SJLPKXTDSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246767934 804500626 /nfs/dbraw/zinc/50/06/26/804500626.db2.gz DJLISHBJDAFMMI-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CC([N@@H+](C)Cc2cccc(Cl)c2)C[C@@H](C)[NH2+]1 ZINC001246770983 804502514 /nfs/dbraw/zinc/50/25/14/804502514.db2.gz UJYNNUHCNJBDJC-VXGBXAGGSA-N 2 1 266.816 3.301 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246775784 804504314 /nfs/dbraw/zinc/50/43/14/804504314.db2.gz LFQDWBMDOOVJGG-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246771282 804505004 /nfs/dbraw/zinc/50/50/04/804505004.db2.gz XWIZBVUERVJOOD-DOTOQJQBSA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[N@@H+](CCC)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246773385 804505057 /nfs/dbraw/zinc/50/50/57/804505057.db2.gz CAUJOPVGZGNXDB-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@@H+](CCOc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246780384 804507771 /nfs/dbraw/zinc/50/77/71/804507771.db2.gz MASDULSKIVYFRR-WBVHZDCISA-N 2 1 290.451 3.164 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)[C@@H]1C ZINC001246788068 804511070 /nfs/dbraw/zinc/51/10/70/804511070.db2.gz HCVWPLYSEUPBOM-KBUPBQIOSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246790247 804513638 /nfs/dbraw/zinc/51/36/38/804513638.db2.gz MNAVNMHZIDOGNN-RBUKOAKNSA-N 2 1 286.463 3.470 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246790806 804513907 /nfs/dbraw/zinc/51/39/07/804513907.db2.gz MZCCSWTXCITKCK-FZKCQIBNSA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+](Cc1ccccc1F)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246793780 804516862 /nfs/dbraw/zinc/51/68/62/804516862.db2.gz VYSREXLVTNBTSO-RDJZCZTQSA-N 2 1 276.399 3.180 20 0 CGADMP C[N@@H+](Cc1ccccc1F)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246793774 804517676 /nfs/dbraw/zinc/51/76/76/804517676.db2.gz VYSREXLVTNBTSO-NVXWUHKLSA-N 2 1 276.399 3.180 20 0 CGADMP C[N@@H+](CCc1cccs1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246796905 804519077 /nfs/dbraw/zinc/51/90/77/804519077.db2.gz NTNQZGKDDOWWTG-DZGCQCFKSA-N 2 1 280.481 3.389 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CSc2ccccc2C1 ZINC001246797465 804519468 /nfs/dbraw/zinc/51/94/68/804519468.db2.gz OPVFZLNJYHFLNR-MRXNPFEDSA-N 2 1 290.476 3.025 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001140806200 804524693 /nfs/dbraw/zinc/52/46/93/804524693.db2.gz CTHQNYLQTMJDQT-UHFFFAOYSA-N 2 1 285.391 3.096 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001140806200 804524696 /nfs/dbraw/zinc/52/46/96/804524696.db2.gz CTHQNYLQTMJDQT-UHFFFAOYSA-N 2 1 285.391 3.096 20 0 CGADMP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246807647 804525492 /nfs/dbraw/zinc/52/54/92/804525492.db2.gz OOIXWJXLQKQDLK-KZNAEPCWSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@@H](C)C1 ZINC001246810580 804527183 /nfs/dbraw/zinc/52/71/83/804527183.db2.gz OODGMVPRGXOTAE-JUVOFCAFSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc(CC[N@H+](C)C2CCC3(C[NH2+]C3)CC2)c1 ZINC001246812445 804528241 /nfs/dbraw/zinc/52/82/41/804528241.db2.gz DFRDMYWIFNCUGY-UHFFFAOYSA-N 2 1 272.436 3.002 20 0 CGADMP C[NH2+][C@@H]1CC[N@@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246813453 804530372 /nfs/dbraw/zinc/53/03/72/804530372.db2.gz LRZCARYNOLUNHT-LRYGQEGESA-N 2 1 284.447 3.107 20 0 CGADMP C[NH2+][C@@H]1CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246813453 804530377 /nfs/dbraw/zinc/53/03/77/804530377.db2.gz LRZCARYNOLUNHT-LRYGQEGESA-N 2 1 284.447 3.107 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246814174 804530546 /nfs/dbraw/zinc/53/05/46/804530546.db2.gz ODWMUTZYKXSNJP-CVEARBPZSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC2(CCCC2)CC1 ZINC001246814210 804530824 /nfs/dbraw/zinc/53/08/24/804530824.db2.gz OJPVIHDLTYMKKY-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC3CCC2CC3)C[C@H](CC)[NH2+]1 ZINC001246819475 804533307 /nfs/dbraw/zinc/53/33/07/804533307.db2.gz GLCSGMKWHIGPDL-VBFVWNODSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC3CCC2CC3)C[C@H](CC)[NH2+]1 ZINC001246819475 804533311 /nfs/dbraw/zinc/53/33/11/804533311.db2.gz GLCSGMKWHIGPDL-VBFVWNODSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246819412 804534140 /nfs/dbraw/zinc/53/41/40/804534140.db2.gz CXTMAZTXQWEBMS-YIONKMFJSA-N 2 1 278.827 3.097 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246831250 804540755 /nfs/dbraw/zinc/54/07/55/804540755.db2.gz CSUGIOPXYOIMGJ-NCOADZHNSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246831250 804540761 /nfs/dbraw/zinc/54/07/61/804540761.db2.gz CSUGIOPXYOIMGJ-NCOADZHNSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001246833204 804541915 /nfs/dbraw/zinc/54/19/15/804541915.db2.gz NAQTZEFNIJNYNM-GJZGRUSLSA-N 2 1 278.465 3.289 20 0 CGADMP COCCC[N@@H+]([C@@H](C)CCCC(C)C)C1CC[NH2+]CC1 ZINC001246834818 804542761 /nfs/dbraw/zinc/54/27/61/804542761.db2.gz HCVWSACMALUORZ-INIZCTEOSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835596 804544947 /nfs/dbraw/zinc/54/49/47/804544947.db2.gz JVPJYMPXDQSMQY-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246841767 804550126 /nfs/dbraw/zinc/55/01/26/804550126.db2.gz OGXLEZWUKYODGW-FZKCQIBNSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CC[NH2+]1 ZINC001246844450 804552762 /nfs/dbraw/zinc/55/27/62/804552762.db2.gz JGNYNFUCAGHIRH-RYQLBKOJSA-N 2 1 272.436 3.397 20 0 CGADMP CC[C@@H]1CCC[N@H+](C2C[C@@H](CC)[NH2+][C@H](CC)C2)C1 ZINC001246846562 804556123 /nfs/dbraw/zinc/55/61/23/804556123.db2.gz HOIZPDPBQHULLU-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC001246847711 804558795 /nfs/dbraw/zinc/55/87/95/804558795.db2.gz LUYXEEMPUDIGMW-NUEKZKHPSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850238 804559625 /nfs/dbraw/zinc/55/96/25/804559625.db2.gz INUPMCRATMKHEO-XNRPHZJLSA-N 2 1 278.827 3.270 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246852844 804561834 /nfs/dbraw/zinc/56/18/34/804561834.db2.gz KWMVEKDEEZOPPS-DFBGVHRSSA-N 2 1 298.352 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246852844 804561838 /nfs/dbraw/zinc/56/18/38/804561838.db2.gz KWMVEKDEEZOPPS-DFBGVHRSSA-N 2 1 298.352 3.060 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854735 804563586 /nfs/dbraw/zinc/56/35/86/804563586.db2.gz RCWOOIYLLLTACP-KURKYZTESA-N 2 1 272.436 3.211 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246861002 804566546 /nfs/dbraw/zinc/56/65/46/804566546.db2.gz IVTFSXKCEWLUPZ-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246861002 804566549 /nfs/dbraw/zinc/56/65/49/804566549.db2.gz IVTFSXKCEWLUPZ-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](Cc2ccccc2)CC(C)C)C1 ZINC001246864937 804569451 /nfs/dbraw/zinc/56/94/51/804569451.db2.gz QHBWRDXYMCKARF-ZWKOTPCHSA-N 2 1 274.452 3.185 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C2)cc1 ZINC001246870670 804571956 /nfs/dbraw/zinc/57/19/56/804571956.db2.gz YWPWSOCCBKIDGT-DSLXNQLJSA-N 2 1 284.447 3.397 20 0 CGADMP CCCC1CCC([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001246869269 804572299 /nfs/dbraw/zinc/57/22/99/804572299.db2.gz VEWSSPCBWACTGT-PYBGIAKNSA-N 2 1 250.430 3.029 20 0 CGADMP c1cn(C2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)c2ccccc12 ZINC001246871286 804573592 /nfs/dbraw/zinc/57/35/92/804573592.db2.gz YUWAXTOBBPANMQ-QGZVFWFLSA-N 2 1 283.419 3.030 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](CC)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246879431 804576953 /nfs/dbraw/zinc/57/69/53/804576953.db2.gz NMYLGSBTJIPJRO-JKSUJKDBSA-N 2 1 276.424 3.048 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)C)CC[NH2+]1 ZINC001246885884 804579968 /nfs/dbraw/zinc/57/99/68/804579968.db2.gz GIBGQWOGOTWYNZ-OAGGEKHMSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001246892512 804583866 /nfs/dbraw/zinc/58/38/66/804583866.db2.gz DOEVAZPFRASXHX-MRXNPFEDSA-N 2 1 290.426 3.147 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001246892629 804583917 /nfs/dbraw/zinc/58/39/17/804583917.db2.gz GQMKCRNYKFLWCI-INIZCTEOSA-N 2 1 290.426 3.147 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH+]2CC(C)(C)OC(C)(C)C2)CC[NH2+]1 ZINC001246895083 804584748 /nfs/dbraw/zinc/58/47/48/804584748.db2.gz PBRGXDDCIFPIAW-HUUCEWRRSA-N 2 1 282.472 3.187 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001246898122 804586935 /nfs/dbraw/zinc/58/69/35/804586935.db2.gz AFWHYNKYXBASHJ-GUYCJALGSA-N 2 1 271.408 3.303 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246911633 804595553 /nfs/dbraw/zinc/59/55/53/804595553.db2.gz VOARTCYROFILAB-PIIMJCKOSA-N 2 1 272.436 3.123 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@@H]1CN ZINC001246918093 804598120 /nfs/dbraw/zinc/59/81/20/804598120.db2.gz VBEHKBWRDHUSQP-UONOGXRCSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246918093 804598126 /nfs/dbraw/zinc/59/81/26/804598126.db2.gz VBEHKBWRDHUSQP-UONOGXRCSA-N 2 1 296.480 3.493 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246918405 804598777 /nfs/dbraw/zinc/59/87/77/804598777.db2.gz FDWKABILFMIWMB-VQHPVUNQSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246918405 804598779 /nfs/dbraw/zinc/59/87/79/804598779.db2.gz FDWKABILFMIWMB-VQHPVUNQSA-N 2 1 264.457 3.275 20 0 CGADMP CSCC[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924582 804603982 /nfs/dbraw/zinc/60/39/82/804603982.db2.gz NAGUPGRPFJNLGX-RDJZCZTQSA-N 2 1 292.492 3.382 20 0 CGADMP CSCC[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924582 804603984 /nfs/dbraw/zinc/60/39/84/804603984.db2.gz NAGUPGRPFJNLGX-RDJZCZTQSA-N 2 1 292.492 3.382 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246929336 804605114 /nfs/dbraw/zinc/60/51/14/804605114.db2.gz FBQVNKWSUFLUSD-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](Cc1ccco1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938531 804610741 /nfs/dbraw/zinc/61/07/41/804610741.db2.gz QCWKPRLRURCSPC-CVEARBPZSA-N 2 1 290.451 3.455 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001246944911 804612173 /nfs/dbraw/zinc/61/21/73/804612173.db2.gz YQEYXURHQOGINJ-ZYSHUDEJSA-N 2 1 286.463 3.111 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246948993 804616129 /nfs/dbraw/zinc/61/61/29/804616129.db2.gz HHPOMFDEEBNAHX-RDJZCZTQSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC(C)C)[C@@H]1CCCNC1 ZINC001246951864 804616184 /nfs/dbraw/zinc/61/61/84/804616184.db2.gz GATPATTYBQTGJH-QZTJIDSGSA-N 2 1 297.531 3.207 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246951864 804616187 /nfs/dbraw/zinc/61/61/87/804616187.db2.gz GATPATTYBQTGJH-QZTJIDSGSA-N 2 1 297.531 3.207 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246967991 804620392 /nfs/dbraw/zinc/62/03/92/804620392.db2.gz QFCPDIOYWSQUSH-ROUUACIJSA-N 2 1 274.452 3.459 20 0 CGADMP CCCC[N@@H+](CC)Cc1cccc(-n2ccnc2)c1 ZINC001141236391 804621237 /nfs/dbraw/zinc/62/12/37/804621237.db2.gz BMYGLSTZHCLKOD-UHFFFAOYSA-N 2 1 257.381 3.494 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246969798 804622412 /nfs/dbraw/zinc/62/24/12/804622412.db2.gz VXWRVPUYHMIOIL-CTWPCTMYSA-N 2 1 286.463 3.459 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](CC)Cc1ccccc1 ZINC001246971357 804622539 /nfs/dbraw/zinc/62/25/39/804622539.db2.gz AQZHORGBEVGRGZ-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2cccc(F)c2C1 ZINC001246973255 804623563 /nfs/dbraw/zinc/62/35/63/804623563.db2.gz GPYPOLSPEIYIKF-ZBFHGGJFSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246975705 804623676 /nfs/dbraw/zinc/62/36/76/804623676.db2.gz OECJMMZXZDBTKC-WNCDQNTKSA-N 2 1 296.817 3.079 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2cccc(F)c2C1 ZINC001246973244 804624174 /nfs/dbraw/zinc/62/41/74/804624174.db2.gz GPYPOLSPEIYIKF-GDBMZVCRSA-N 2 1 290.426 3.005 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCC[C@H](c4ccccc4)C3)C[C@H]12 ZINC001246978210 804625941 /nfs/dbraw/zinc/62/59/41/804625941.db2.gz VEYIZLATLZMTNE-BRIYLRKRSA-N 2 1 284.447 3.382 20 0 CGADMP C1CC2(C1)C[C@H]([N@H+]1CCC3(C1)CCCCC3)CC[NH2+]2 ZINC001246999080 804634218 /nfs/dbraw/zinc/63/42/18/804634218.db2.gz QIVJPROYKWBVIW-OAHLLOKOSA-N 2 1 262.441 3.317 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001247001164 804634484 /nfs/dbraw/zinc/63/44/84/804634484.db2.gz JLTNUFZOEKICFP-WMZOPIPTSA-N 2 1 274.452 3.377 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@@](C)(C[NH3+])C2)CC1 ZINC001247003730 804635937 /nfs/dbraw/zinc/63/59/37/804635937.db2.gz PUVFTUKCCCQSRG-GPANFISMSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247002724 804636124 /nfs/dbraw/zinc/63/61/24/804636124.db2.gz OCQSDJXHGRYZRO-WBMJQRKESA-N 2 1 298.833 3.471 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247002724 804636127 /nfs/dbraw/zinc/63/61/27/804636127.db2.gz OCQSDJXHGRYZRO-WBMJQRKESA-N 2 1 298.833 3.471 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])C2)CC(C)(C)C1 ZINC001247005896 804637550 /nfs/dbraw/zinc/63/75/50/804637550.db2.gz VWOMUQCCUVDFRJ-IJEWVQPXSA-N 2 1 252.446 3.262 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC)C[C@H]3C2)cc1 ZINC001142367615 804719381 /nfs/dbraw/zinc/71/93/81/804719381.db2.gz SOPIMLHDIQQKID-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001142367615 804719385 /nfs/dbraw/zinc/71/93/85/804719385.db2.gz SOPIMLHDIQQKID-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)cc1 ZINC001142367615 804719390 /nfs/dbraw/zinc/71/93/90/804719390.db2.gz SOPIMLHDIQQKID-KDURUIRLSA-N 2 1 286.463 3.413 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154985528 805518080 /nfs/dbraw/zinc/51/80/80/805518080.db2.gz NGKJYNODFQVRSJ-STQMWFEESA-N 2 1 255.365 3.225 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(C(C)(C)C)c[nH+]1 ZINC001155029789 805526137 /nfs/dbraw/zinc/52/61/37/805526137.db2.gz NFWIWUJVBHQYMR-KBPBESRZSA-N 2 1 275.440 3.427 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001155031167 805527705 /nfs/dbraw/zinc/52/77/05/805527705.db2.gz SPSNCTURPOLSIJ-CHWSQXEVSA-N 2 1 298.434 3.099 20 0 CGADMP Cc1cc2cc[nH+]c(NCC[C@H]3CCC[N@@H+](C)C3)c2[nH]1 ZINC001165259827 806982224 /nfs/dbraw/zinc/98/22/24/806982224.db2.gz AINSKXGJMPRDAU-CYBMUJFWSA-N 2 1 272.396 3.015 20 0 CGADMP Cc1cc2cc[nH+]c(NCC[C@H]3CCC[N@H+](C)C3)c2[nH]1 ZINC001165259827 806982226 /nfs/dbraw/zinc/98/22/26/806982226.db2.gz AINSKXGJMPRDAU-CYBMUJFWSA-N 2 1 272.396 3.015 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)c2c1 ZINC001155117737 805540854 /nfs/dbraw/zinc/54/08/54/805540854.db2.gz SDUKZTQRGLMIHI-KRWDZBQOSA-N 2 1 287.382 3.437 20 0 CGADMP c1cc(N2CCC([N@H+]3CCC[C@H]4CCC[C@H]43)CC2)cc[nH+]1 ZINC001256860889 806992358 /nfs/dbraw/zinc/99/23/58/806992358.db2.gz HIUPJGXNKLQSPQ-CRAIPNDOSA-N 2 1 285.435 3.315 20 0 CGADMP Cc1cccc2c1C[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256855412 806992597 /nfs/dbraw/zinc/99/25/97/806992597.db2.gz MLWBSDDMLAEXSP-UHFFFAOYSA-N 2 1 293.414 3.375 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256862857 806993429 /nfs/dbraw/zinc/99/34/29/806993429.db2.gz RFQHJRZQWWXQHK-KRWDZBQOSA-N 2 1 273.424 3.171 20 0 CGADMP CCC1CCC([NH2+][C@@H]2C[C@H]3CC[N@@H+](C2)[C@H]3C)CC1 ZINC001256867989 806994610 /nfs/dbraw/zinc/99/46/10/806994610.db2.gz JMAJSNGQVXJLAG-PVNJOJHASA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc2cc[nH+]c(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1 ZINC001165433386 807003011 /nfs/dbraw/zinc/00/30/11/807003011.db2.gz VZFWXMZADGIMLN-GOEBONIOSA-N 2 1 299.393 3.056 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3ccoc3c2)CC1 ZINC001257210361 807060771 /nfs/dbraw/zinc/06/07/71/807060771.db2.gz LFGFLCFXMGMUIX-UHFFFAOYSA-N 2 1 272.392 3.395 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257214168 807062946 /nfs/dbraw/zinc/06/29/46/807062946.db2.gz ZLGCPWCYPJDUAY-SFHVURJKSA-N 2 1 287.451 3.304 20 0 CGADMP CCC[C@H](CC)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001257265714 807079696 /nfs/dbraw/zinc/07/96/96/807079696.db2.gz ICVSWSVSOSJXHX-HNNXBMFYSA-N 2 1 282.472 3.140 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257355545 807120707 /nfs/dbraw/zinc/12/07/07/807120707.db2.gz ZSBXUCKKQIGTIS-MSOLQXFVSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257355545 807120711 /nfs/dbraw/zinc/12/07/11/807120711.db2.gz ZSBXUCKKQIGTIS-MSOLQXFVSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257355545 807120716 /nfs/dbraw/zinc/12/07/16/807120716.db2.gz ZSBXUCKKQIGTIS-MSOLQXFVSA-N 2 1 284.447 3.383 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001257446500 807160694 /nfs/dbraw/zinc/16/06/94/807160694.db2.gz NJOCWEWSDHBVCP-SZMVWBNQSA-N 2 1 272.436 3.239 20 0 CGADMP COC(=[NH2+])c1cccc(NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001167753553 807241787 /nfs/dbraw/zinc/24/17/87/807241787.db2.gz PPVUCQUMGUABCN-CQSZACIVSA-N 2 1 289.423 3.335 20 0 CGADMP COC(=[NH2+])c1cccc(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001167753553 807241795 /nfs/dbraw/zinc/24/17/95/807241795.db2.gz PPVUCQUMGUABCN-CQSZACIVSA-N 2 1 289.423 3.335 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](CF)C1 ZINC001167824331 807255885 /nfs/dbraw/zinc/25/58/85/807255885.db2.gz DMSVJKVZCMEXBI-CABCVRRESA-N 2 1 258.425 3.178 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001167827240 807256113 /nfs/dbraw/zinc/25/61/13/807256113.db2.gz VEASBYBRBAGXRO-RDJZCZTQSA-N 2 1 290.455 3.124 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001167837791 807258533 /nfs/dbraw/zinc/25/85/33/807258533.db2.gz MTAJFSQYKCMDKO-SOUVJXGZSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[N@@H+](CC(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001258017872 807267141 /nfs/dbraw/zinc/26/71/41/807267141.db2.gz FOGZPBHUQLWDJE-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[NH+]1CCC([NH+]2Cc3ccccc3C2)CC1 ZINC001258012150 807267221 /nfs/dbraw/zinc/26/72/21/807267221.db2.gz TZWNMXOHHLKEDV-UHFFFAOYSA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001258058010 807281025 /nfs/dbraw/zinc/28/10/25/807281025.db2.gz UYFWKJBMMGFMDM-BZUAXINKSA-N 2 1 254.462 3.379 20 0 CGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167940997 807278697 /nfs/dbraw/zinc/27/86/97/807278697.db2.gz TYFHCYOQONCYEU-YYIAUSFCSA-N 2 1 262.441 3.125 20 0 CGADMP FC1(F)CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167958450 807285759 /nfs/dbraw/zinc/28/57/59/807285759.db2.gz DZZOTRNDCXGTAO-AVOUXACISA-N 2 1 284.394 3.169 20 0 CGADMP c1cc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)ccn1 ZINC001167966674 807288818 /nfs/dbraw/zinc/28/88/18/807288818.db2.gz YSGLLKXDIKLZLN-AYHJJNSGSA-N 2 1 297.446 3.066 20 0 CGADMP c1cc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)ccn1 ZINC001167966674 807288825 /nfs/dbraw/zinc/28/88/25/807288825.db2.gz YSGLLKXDIKLZLN-AYHJJNSGSA-N 2 1 297.446 3.066 20 0 CGADMP C[C@H]1C[C@@H](CF)[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983320 807289741 /nfs/dbraw/zinc/28/97/41/807289741.db2.gz FRRJXBAVIXLUID-JDACHINLSA-N 2 1 280.431 3.072 20 0 CGADMP C[C@H]1C[C@@H](CF)[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983320 807289751 /nfs/dbraw/zinc/28/97/51/807289751.db2.gz FRRJXBAVIXLUID-JDACHINLSA-N 2 1 280.431 3.072 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258092574 807302725 /nfs/dbraw/zinc/30/27/25/807302725.db2.gz JGWPLQBQGTYEPU-OAHLLOKOSA-N 2 1 293.455 3.251 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001258170388 807338288 /nfs/dbraw/zinc/33/82/88/807338288.db2.gz KDTPHNGRUQYUAP-KBPBESRZSA-N 2 1 252.446 3.227 20 0 CGADMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168338010 807387209 /nfs/dbraw/zinc/38/72/09/807387209.db2.gz VUJAVTOHNHANKZ-UZVIJOLCSA-N 2 1 264.800 3.055 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC(C)(C)C1 ZINC001258291537 807400692 /nfs/dbraw/zinc/40/06/92/807400692.db2.gz MWJYSHPPJMBNKO-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[N@@H+](CC(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168389923 807401534 /nfs/dbraw/zinc/40/15/34/807401534.db2.gz XLKSLCFTYCAKDD-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCc2cc(F)ccc2C1)C(C)C ZINC001168400345 807405249 /nfs/dbraw/zinc/40/52/49/807405249.db2.gz MWSLRTQGZSVVSQ-GOSISDBHSA-N 2 1 292.442 3.391 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168402084 807406723 /nfs/dbraw/zinc/40/67/23/807406723.db2.gz YCNFPEKULHHJEU-SFHVURJKSA-N 2 1 292.442 3.395 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168402084 807406725 /nfs/dbraw/zinc/40/67/25/807406725.db2.gz YCNFPEKULHHJEU-SFHVURJKSA-N 2 1 292.442 3.395 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001258315469 807407306 /nfs/dbraw/zinc/40/73/06/807407306.db2.gz LULHKXGLSVFRME-AWEZNQCLSA-N 2 1 272.502 3.372 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1cccc(F)c1 ZINC001168502161 807438170 /nfs/dbraw/zinc/43/81/70/807438170.db2.gz XUIIFQOCEKQPMP-HNNXBMFYSA-N 2 1 280.431 3.420 20 0 CGADMP CCC1(Nc2ccc([NH+]3CCCCC3)cc2C)C[NH2+]C1 ZINC001168586062 807451588 /nfs/dbraw/zinc/45/15/88/807451588.db2.gz DGQAFVXMEJTJDQ-UHFFFAOYSA-N 2 1 273.424 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697509 807552084 /nfs/dbraw/zinc/55/20/84/807552084.db2.gz QUTFVZCAHJRCQE-XUWVNRHRSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697509 807552088 /nfs/dbraw/zinc/55/20/88/807552088.db2.gz QUTFVZCAHJRCQE-XUWVNRHRSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697509 807552095 /nfs/dbraw/zinc/55/20/95/807552095.db2.gz QUTFVZCAHJRCQE-XUWVNRHRSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC(C)(C)C1 ZINC001258699445 807552238 /nfs/dbraw/zinc/55/22/38/807552238.db2.gz FHJGWNIHRBGOLT-VYDXJSESSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC(C)(C)C1 ZINC001258699445 807552240 /nfs/dbraw/zinc/55/22/40/807552240.db2.gz FHJGWNIHRBGOLT-VYDXJSESSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC(C)(C)C1 ZINC001258699445 807552246 /nfs/dbraw/zinc/55/22/46/807552246.db2.gz FHJGWNIHRBGOLT-VYDXJSESSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC([NH+]3CCC3)CC2)CC(C)(C)C1 ZINC001258704646 807559901 /nfs/dbraw/zinc/55/99/01/807559901.db2.gz SPLRGFMOIVUCNL-HOCLYGCPSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001169062036 807563399 /nfs/dbraw/zinc/56/33/99/807563399.db2.gz QDHSMXPLDOPWQI-DOTOQJQBSA-N 2 1 262.441 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC001169079805 807569761 /nfs/dbraw/zinc/56/97/61/807569761.db2.gz LQSBGQYWOBKYQB-QKDCVEJESA-N 2 1 264.800 3.055 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC001169079805 807569767 /nfs/dbraw/zinc/56/97/67/807569767.db2.gz LQSBGQYWOBKYQB-QKDCVEJESA-N 2 1 264.800 3.055 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001169086515 807571109 /nfs/dbraw/zinc/57/11/09/807571109.db2.gz UPVHOVHQSNOLFG-GOSISDBHSA-N 2 1 297.446 3.399 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001169086515 807571112 /nfs/dbraw/zinc/57/11/12/807571112.db2.gz UPVHOVHQSNOLFG-GOSISDBHSA-N 2 1 297.446 3.399 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cc(F)cc3F)C2 ZINC001169099714 807576597 /nfs/dbraw/zinc/57/65/97/807576597.db2.gz FCVDQDAWJMCTNR-IPJQOSJUSA-N 2 1 292.373 3.167 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cc(F)cc3F)C2 ZINC001169099714 807576601 /nfs/dbraw/zinc/57/66/01/807576601.db2.gz FCVDQDAWJMCTNR-IPJQOSJUSA-N 2 1 292.373 3.167 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(F)c3)CC1)C2 ZINC001169106883 807578324 /nfs/dbraw/zinc/57/83/24/807578324.db2.gz ASTVJKNIQGRZAC-PHZGNYQRSA-N 2 1 274.383 3.030 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(F)c3)CC1)C2 ZINC001169106883 807578328 /nfs/dbraw/zinc/57/83/28/807578328.db2.gz ASTVJKNIQGRZAC-PHZGNYQRSA-N 2 1 274.383 3.030 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1F ZINC001169108264 807578780 /nfs/dbraw/zinc/57/87/80/807578780.db2.gz PWYSQZWCADOTCO-MIGQKNRLSA-N 2 1 276.399 3.410 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101558 807579397 /nfs/dbraw/zinc/57/93/97/807579397.db2.gz UFIKJFKVXWAGGZ-XLMAVXFVSA-N 2 1 270.420 3.197 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ncco3)cc1)C2 ZINC001169118225 807583310 /nfs/dbraw/zinc/58/33/10/807583310.db2.gz FPDNTIOJRHGVKF-OSYLJGHBSA-N 2 1 297.402 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ncco3)cc1)C2 ZINC001169118225 807583316 /nfs/dbraw/zinc/58/33/16/807583316.db2.gz FPDNTIOJRHGVKF-OSYLJGHBSA-N 2 1 297.402 3.056 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126575 807585585 /nfs/dbraw/zinc/58/55/85/807585585.db2.gz WSJFKAYBLHKXNK-SIXLDLHFSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126575 807585586 /nfs/dbraw/zinc/58/55/86/807585586.db2.gz WSJFKAYBLHKXNK-SIXLDLHFSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126575 807585588 /nfs/dbraw/zinc/58/55/88/807585588.db2.gz WSJFKAYBLHKXNK-SIXLDLHFSA-N 2 1 270.420 3.231 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146118 807592250 /nfs/dbraw/zinc/59/22/50/807592250.db2.gz OSXSJOQZJYLDAV-OWLYRPNTSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146118 807592257 /nfs/dbraw/zinc/59/22/57/807592257.db2.gz OSXSJOQZJYLDAV-OWLYRPNTSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146118 807592266 /nfs/dbraw/zinc/59/22/66/807592266.db2.gz OSXSJOQZJYLDAV-OWLYRPNTSA-N 2 1 288.410 3.240 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147044 807592968 /nfs/dbraw/zinc/59/29/68/807592968.db2.gz RTYJYMPOEBCIQY-AOMQQYKHSA-N 2 1 270.420 3.257 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147044 807592969 /nfs/dbraw/zinc/59/29/69/807592969.db2.gz RTYJYMPOEBCIQY-AOMQQYKHSA-N 2 1 270.420 3.257 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147044 807592971 /nfs/dbraw/zinc/59/29/71/807592971.db2.gz RTYJYMPOEBCIQY-AOMQQYKHSA-N 2 1 270.420 3.257 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147044 807592973 /nfs/dbraw/zinc/59/29/73/807592973.db2.gz RTYJYMPOEBCIQY-AOMQQYKHSA-N 2 1 270.420 3.257 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169152897 807594381 /nfs/dbraw/zinc/59/43/81/807594381.db2.gz GGWPAPUCQGDSNU-MLHJIOFPSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169152897 807594385 /nfs/dbraw/zinc/59/43/85/807594385.db2.gz GGWPAPUCQGDSNU-MLHJIOFPSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001169152897 807594389 /nfs/dbraw/zinc/59/43/89/807594389.db2.gz GGWPAPUCQGDSNU-MLHJIOFPSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001169152897 807594394 /nfs/dbraw/zinc/59/43/94/807594394.db2.gz GGWPAPUCQGDSNU-MLHJIOFPSA-N 2 1 285.435 3.152 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152182 807594463 /nfs/dbraw/zinc/59/44/63/807594463.db2.gz AAOIFFJUCUWTQM-ZSGPHXLJSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152182 807594465 /nfs/dbraw/zinc/59/44/65/807594465.db2.gz AAOIFFJUCUWTQM-ZSGPHXLJSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152182 807594468 /nfs/dbraw/zinc/59/44/68/807594468.db2.gz AAOIFFJUCUWTQM-ZSGPHXLJSA-N 2 1 270.420 3.058 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc3oc(C)nc3c2)CC1 ZINC001258765917 807601056 /nfs/dbraw/zinc/60/10/56/807601056.db2.gz GXRDNODVTLZFLD-UHFFFAOYSA-N 2 1 287.407 3.100 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)COc2c(C)cccc2C)CC1 ZINC001169230397 807610252 /nfs/dbraw/zinc/61/02/52/807610252.db2.gz AUELPNJMQUVKGD-MRXNPFEDSA-N 2 1 290.451 3.145 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258783372 807610839 /nfs/dbraw/zinc/61/08/39/807610839.db2.gz DKZRTLRGPOXNGD-CGTJXYLNSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258783372 807610842 /nfs/dbraw/zinc/61/08/42/807610842.db2.gz DKZRTLRGPOXNGD-CGTJXYLNSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC001169241543 807612196 /nfs/dbraw/zinc/61/21/96/807612196.db2.gz PNRBIQWBWNOLQI-OAHLLOKOSA-N 2 1 260.425 3.438 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001169240423 807612291 /nfs/dbraw/zinc/61/22/91/807612291.db2.gz HXVDYUUHDXCOJG-MRXNPFEDSA-N 2 1 293.842 3.260 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC(c3ccccc3)CC2)CC1 ZINC001169248792 807614081 /nfs/dbraw/zinc/61/40/81/807614081.db2.gz CDBSSRYHCRKSDX-UHFFFAOYSA-N 2 1 272.436 3.350 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001169258815 807617180 /nfs/dbraw/zinc/61/71/80/807617180.db2.gz TZXBMWKVQAWXGC-SFHVURJKSA-N 2 1 288.435 3.014 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001169258815 807617182 /nfs/dbraw/zinc/61/71/82/807617182.db2.gz TZXBMWKVQAWXGC-SFHVURJKSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001258816148 807633152 /nfs/dbraw/zinc/63/31/52/807633152.db2.gz YGQNKJNEAYHSLZ-UVPYHEFZSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001258816148 807633153 /nfs/dbraw/zinc/63/31/53/807633153.db2.gz YGQNKJNEAYHSLZ-UVPYHEFZSA-N 2 1 250.430 3.170 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C1 ZINC001258905347 807671023 /nfs/dbraw/zinc/67/10/23/807671023.db2.gz XXJXAFBPSIQHRI-SJORKVTESA-N 3 1 297.531 3.349 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C1 ZINC001258905347 807671029 /nfs/dbraw/zinc/67/10/29/807671029.db2.gz XXJXAFBPSIQHRI-SJORKVTESA-N 3 1 297.531 3.349 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC001170113442 807761759 /nfs/dbraw/zinc/76/17/59/807761759.db2.gz PEWMGOFMURINGS-HLLBOEOZSA-N 2 1 260.425 3.272 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001170138582 807772340 /nfs/dbraw/zinc/77/23/40/807772340.db2.gz QYVHQIROJUANGX-UGUYLWEFSA-N 2 1 290.476 3.300 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CCO1 ZINC001170191875 807790419 /nfs/dbraw/zinc/79/04/19/807790419.db2.gz BZJVSWYEBSDXGJ-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CCO1 ZINC001170191875 807790421 /nfs/dbraw/zinc/79/04/21/807790421.db2.gz BZJVSWYEBSDXGJ-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001170255768 807806405 /nfs/dbraw/zinc/80/64/05/807806405.db2.gz YFRHMARCEJZSIJ-GRTSSRMGSA-N 2 1 280.843 3.473 20 0 CGADMP C[N@H+](Cc1cccc(O)c1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171632262 808109449 /nfs/dbraw/zinc/10/94/49/808109449.db2.gz YEBQVZDZJGILPJ-UHFFFAOYSA-N 2 1 290.451 3.475 20 0 CGADMP C[N@@H+](Cc1cccc(O)c1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171632262 808109455 /nfs/dbraw/zinc/10/94/55/808109455.db2.gz YEBQVZDZJGILPJ-UHFFFAOYSA-N 2 1 290.451 3.475 20 0 CGADMP C[N@@H+](C[C@H]1CCCCO1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638455 808110907 /nfs/dbraw/zinc/11/09/07/808110907.db2.gz YJDXUEJNFPKCPC-OAHLLOKOSA-N 2 1 282.472 3.139 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)[C@H](C)C1 ZINC001171790530 808140583 /nfs/dbraw/zinc/14/05/83/808140583.db2.gz NIXJVABISOXHLC-SIIHOXLZSA-N 2 1 290.426 3.001 20 0 CGADMP CCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962462 808160145 /nfs/dbraw/zinc/16/01/45/808160145.db2.gz DJOAGTSVAFULPY-KRWDZBQOSA-N 2 1 290.451 3.056 20 0 CGADMP CC1(C)C[C@H]([NH2+]CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171966165 808161426 /nfs/dbraw/zinc/16/14/26/808161426.db2.gz SQINBWKIKFBYEO-QGZVFWFLSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1csc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100928 808172128 /nfs/dbraw/zinc/17/21/28/808172128.db2.gz UOCLAVBTQNAGIJ-ZSOGYDGISA-N 2 1 264.438 3.161 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC001172101869 808172576 /nfs/dbraw/zinc/17/25/76/808172576.db2.gz IANJVOLWMNYKRA-QKDCVEJESA-N 2 1 280.362 3.070 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC001172101869 808172579 /nfs/dbraw/zinc/17/25/79/808172579.db2.gz IANJVOLWMNYKRA-QKDCVEJESA-N 2 1 280.362 3.070 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102421 808173831 /nfs/dbraw/zinc/17/38/31/808173831.db2.gz MSBCXMGMYWHSPB-LVQVYYBASA-N 2 1 273.424 3.056 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172103566 808174963 /nfs/dbraw/zinc/17/49/63/808174963.db2.gz VXTNCJKEWYWMOT-LDLYASANSA-N 2 1 286.463 3.451 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C2 ZINC001172108165 808176332 /nfs/dbraw/zinc/17/63/32/808176332.db2.gz QQQXZOFMNPLBPY-QDMKHBRRSA-N 2 1 286.410 3.417 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCOc1ccccc1)C2 ZINC001172107145 808176575 /nfs/dbraw/zinc/17/65/75/808176575.db2.gz STXXKCNXHDDDEZ-OSYLJGHBSA-N 2 1 288.435 3.060 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC1CC1)C2 ZINC001172112713 808178311 /nfs/dbraw/zinc/17/83/11/808178311.db2.gz ZTMYPHOGJFTJBU-MUJYYYPQSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC(C)(C)C1)C2 ZINC001172109628 808179167 /nfs/dbraw/zinc/17/91/67/808179167.db2.gz IDSKYNBMACTJQZ-QDMKHBRRSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3cccc(F)c3)CC1)C2 ZINC001172110380 808179205 /nfs/dbraw/zinc/17/92/05/808179205.db2.gz NBIQPENJMPHEMZ-BJWYYQGGSA-N 2 1 288.410 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C2 ZINC001172112168 808179346 /nfs/dbraw/zinc/17/93/46/808179346.db2.gz SXQAGSKNIRXJJB-APIJFGDWSA-N 2 1 286.410 3.417 20 0 CGADMP Cc1cccnc1C1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172109884 808179387 /nfs/dbraw/zinc/17/93/87/808179387.db2.gz GLKGZLUUMUZIDX-OSYLJGHBSA-N 2 1 299.462 3.027 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001172115112 808180679 /nfs/dbraw/zinc/18/06/79/808180679.db2.gz UNXPDKGXYVAOQZ-ZOBORPQBSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001172115112 808180683 /nfs/dbraw/zinc/18/06/83/808180683.db2.gz UNXPDKGXYVAOQZ-ZOBORPQBSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001172115112 808180685 /nfs/dbraw/zinc/18/06/85/808180685.db2.gz UNXPDKGXYVAOQZ-ZOBORPQBSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001172115112 808180690 /nfs/dbraw/zinc/18/06/90/808180690.db2.gz UNXPDKGXYVAOQZ-ZOBORPQBSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114322 808181733 /nfs/dbraw/zinc/18/17/33/808181733.db2.gz QIIFYUIAVHFRRN-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114322 808181740 /nfs/dbraw/zinc/18/17/40/808181740.db2.gz QIIFYUIAVHFRRN-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114322 808181745 /nfs/dbraw/zinc/18/17/45/808181745.db2.gz QIIFYUIAVHFRRN-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3c(F)cccc3C1)C2 ZINC001172123550 808187087 /nfs/dbraw/zinc/18/70/87/808187087.db2.gz DZOXSXHFRMRVHE-ZSHCYNCHSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3c(F)cccc3C1)C2 ZINC001172123550 808187091 /nfs/dbraw/zinc/18/70/91/808187091.db2.gz DZOXSXHFRMRVHE-ZSHCYNCHSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3c(F)cccc3C1)C2 ZINC001172123550 808187093 /nfs/dbraw/zinc/18/70/93/808187093.db2.gz DZOXSXHFRMRVHE-ZSHCYNCHSA-N 2 1 288.410 3.199 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172347301 808246121 /nfs/dbraw/zinc/24/61/21/808246121.db2.gz FCACUDYBMQJKJY-IXDOHACOSA-N 2 1 284.488 3.421 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172462263 808332796 /nfs/dbraw/zinc/33/27/96/808332796.db2.gz NYQPOKDVCWQZES-SJORKVTESA-N 2 1 284.488 3.292 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCOCC(C)C)C1 ZINC001172463371 808334269 /nfs/dbraw/zinc/33/42/69/808334269.db2.gz NHVSQKNMHVTWRO-CVEARBPZSA-N 2 1 284.488 3.290 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)CCOCC(C)C)C1 ZINC001172463371 808334278 /nfs/dbraw/zinc/33/42/78/808334278.db2.gz NHVSQKNMHVTWRO-CVEARBPZSA-N 2 1 284.488 3.290 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001172468938 808336220 /nfs/dbraw/zinc/33/62/20/808336220.db2.gz RHBPWPJUTWSPJE-YESZJQIVSA-N 2 1 284.488 3.146 20 0 CGADMP CCCCCC[C@H](CCCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172516029 808368368 /nfs/dbraw/zinc/36/83/68/808368368.db2.gz FLHCOBBNPVEPOF-CVEARBPZSA-N 2 1 295.471 3.447 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001172825805 808447454 /nfs/dbraw/zinc/44/74/54/808447454.db2.gz JFHPDVYRDMKGQP-QFBILLFUSA-N 2 1 286.463 3.174 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001172859779 808464423 /nfs/dbraw/zinc/46/44/23/808464423.db2.gz CBQVWSXCEJWWBL-OZVIIMIRSA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172859779 808464428 /nfs/dbraw/zinc/46/44/28/808464428.db2.gz CBQVWSXCEJWWBL-OZVIIMIRSA-N 2 1 298.833 3.340 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172953572 808494463 /nfs/dbraw/zinc/49/44/63/808494463.db2.gz PTTRRAOJDUWZNQ-SJORKVTESA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCc2ccccn2)CC1 ZINC001173108252 808512541 /nfs/dbraw/zinc/51/25/41/808512541.db2.gz HPFLAZXJRCPMOM-UHFFFAOYSA-N 2 1 289.467 3.209 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC23CC3)CC1 ZINC001173108546 808512566 /nfs/dbraw/zinc/51/25/66/808512566.db2.gz MQZXIZOYHXKIOP-UHFFFAOYSA-N 2 1 250.430 3.268 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001173114320 808513672 /nfs/dbraw/zinc/51/36/72/808513672.db2.gz GISIWSQWGPRZKC-NRXISQOPSA-N 2 1 286.410 3.371 20 0 CGADMP C[C@H](CC(c1ccccc1)c1ccccc1)N[C@@H]1C[C@H]1[NH3+] ZINC001173212067 808537792 /nfs/dbraw/zinc/53/77/92/808537792.db2.gz VAHGOWHUZVUJLV-NIKGAXFTSA-N 2 1 280.415 3.286 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001173242306 808550987 /nfs/dbraw/zinc/55/09/87/808550987.db2.gz BYMNVTOBCWOVRF-KFKAGJAMSA-N 2 1 286.463 3.064 20 0 CGADMP CCCC[C@H](CC(C)C)[NH2+]CCn1cc[nH+]c1C ZINC001173246955 808555638 /nfs/dbraw/zinc/55/56/38/808555638.db2.gz TYNWYDGBFMZFEI-OAHLLOKOSA-N 2 1 251.418 3.386 20 0 CGADMP CC[N@@H+]1CC[C@H](n2ccc([C@@H](C)[NH2+]Cc3ccccc3)n2)C1 ZINC001173371049 808632989 /nfs/dbraw/zinc/63/29/89/808632989.db2.gz KEUSMOZDTOZVLC-WBVHZDCISA-N 2 1 298.434 3.001 20 0 CGADMP CC[N@H+]1CC[C@H](n2ccc([C@@H](C)[NH2+]Cc3ccccc3)n2)C1 ZINC001173371049 808632993 /nfs/dbraw/zinc/63/29/93/808632993.db2.gz KEUSMOZDTOZVLC-WBVHZDCISA-N 2 1 298.434 3.001 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001274998561 808897939 /nfs/dbraw/zinc/89/79/39/808897939.db2.gz AHOBLYXCEIVUEH-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP CSCCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001275112822 808909379 /nfs/dbraw/zinc/90/93/79/808909379.db2.gz SSFCSOHNFHVCMQ-UHFFFAOYSA-N 2 1 296.524 3.470 20 0 CGADMP CSCCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275112832 808910164 /nfs/dbraw/zinc/91/01/64/808910164.db2.gz TYLIWECOULUYLI-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP CSCCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275112832 808910170 /nfs/dbraw/zinc/91/01/70/808910170.db2.gz TYLIWECOULUYLI-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP CSCCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275112832 808910175 /nfs/dbraw/zinc/91/01/75/808910175.db2.gz TYLIWECOULUYLI-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP CCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275121542 808911961 /nfs/dbraw/zinc/91/19/61/808911961.db2.gz ZAZMCPIXANJILX-SFHVURJKSA-N 2 1 289.467 3.493 20 0 CGADMP CCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275121542 808911967 /nfs/dbraw/zinc/91/19/67/808911967.db2.gz ZAZMCPIXANJILX-SFHVURJKSA-N 2 1 289.467 3.493 20 0 CGADMP CCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275121542 808911973 /nfs/dbraw/zinc/91/19/73/808911973.db2.gz ZAZMCPIXANJILX-SFHVURJKSA-N 2 1 289.467 3.493 20 0 CGADMP CCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275121542 808911979 /nfs/dbraw/zinc/91/19/79/808911979.db2.gz ZAZMCPIXANJILX-SFHVURJKSA-N 2 1 289.467 3.493 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CCCC(F)(F)F)CC2)C1 ZINC001275165756 808919069 /nfs/dbraw/zinc/91/90/69/808919069.db2.gz IWOSOCVXDJQNTM-UHFFFAOYSA-N 2 1 278.362 3.137 20 0 CGADMP c1coc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275236473 808922927 /nfs/dbraw/zinc/92/29/27/808922927.db2.gz SYPNVFMFKWZGMD-IYBDPMFKSA-N 2 1 288.435 3.366 20 0 CGADMP c1coc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275236473 808922938 /nfs/dbraw/zinc/92/29/38/808922938.db2.gz SYPNVFMFKWZGMD-IYBDPMFKSA-N 2 1 288.435 3.366 20 0 CGADMP c1coc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275236473 808922945 /nfs/dbraw/zinc/92/29/45/808922945.db2.gz SYPNVFMFKWZGMD-IYBDPMFKSA-N 2 1 288.435 3.366 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2nc(C)ccc2c1 ZINC001275456535 808938179 /nfs/dbraw/zinc/93/81/79/808938179.db2.gz DBXXSKINRWDMKP-AYHJJNSGSA-N 2 1 295.430 3.258 20 0 CGADMP Cc1cc(O)cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275593755 808951839 /nfs/dbraw/zinc/95/18/39/808951839.db2.gz GPMBAZOYSDENEA-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(O)cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275593755 808951843 /nfs/dbraw/zinc/95/18/43/808951843.db2.gz GPMBAZOYSDENEA-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(O)cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275593755 808951848 /nfs/dbraw/zinc/95/18/48/808951848.db2.gz GPMBAZOYSDENEA-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(O)cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275593755 808951851 /nfs/dbraw/zinc/95/18/51/808951851.db2.gz GPMBAZOYSDENEA-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)s1 ZINC001275861035 808970740 /nfs/dbraw/zinc/97/07/40/808970740.db2.gz KLCVKLHBUFPXKX-UHFFFAOYSA-N 2 1 278.465 3.364 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCc3ccccc3)C[C@H]2CC1 ZINC001276746140 809027383 /nfs/dbraw/zinc/02/73/83/809027383.db2.gz LRFYAVHERXJPQT-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2CC1 ZINC001276746140 809027391 /nfs/dbraw/zinc/02/73/91/809027391.db2.gz LRFYAVHERXJPQT-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCCCc3ccccc3)C[C@H]2CC1 ZINC001276746140 809027399 /nfs/dbraw/zinc/02/73/99/809027399.db2.gz LRFYAVHERXJPQT-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C3CC3)cc1)C2 ZINC001276819868 809032573 /nfs/dbraw/zinc/03/25/73/809032573.db2.gz ZUVPPIIZHRSBCZ-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001276819868 809032581 /nfs/dbraw/zinc/03/25/81/809032581.db2.gz ZUVPPIIZHRSBCZ-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001276819868 809032589 /nfs/dbraw/zinc/03/25/89/809032589.db2.gz ZUVPPIIZHRSBCZ-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP CC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277806063 809098989 /nfs/dbraw/zinc/09/89/89/809098989.db2.gz BPKBGGQBPDZXDB-OAHLLOKOSA-N 2 1 275.440 3.101 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cnc1C1CC1 ZINC001277828548 809100720 /nfs/dbraw/zinc/10/07/20/809100720.db2.gz QBZJXGOZAFCBFN-UHFFFAOYSA-N 2 1 299.462 3.185 20 0 CGADMP Nc1[nH+]c2ccccc2n1-c1cccc(C[NH+]2CCCC2)c1 ZINC001176193971 809644695 /nfs/dbraw/zinc/64/46/95/809644695.db2.gz GOBQRILIMBRWBH-UHFFFAOYSA-N 2 1 292.386 3.204 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001177298468 809792484 /nfs/dbraw/zinc/79/24/84/809792484.db2.gz FILGFUUZSLKYIO-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001177542867 809806912 /nfs/dbraw/zinc/80/69/12/809806912.db2.gz VIVYTESHSUEEKM-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H](c1nccc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC001180794420 810022145 /nfs/dbraw/zinc/02/21/45/810022145.db2.gz OLZHIITWIIYVNB-GJZGRUSLSA-N 2 1 283.419 3.179 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC001181195576 810042512 /nfs/dbraw/zinc/04/25/12/810042512.db2.gz AKNRVGQPUYVIBJ-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC001181411091 810050719 /nfs/dbraw/zinc/05/07/19/810050719.db2.gz YIOIFEAFQTZOAG-HZPDHXFCSA-N 2 1 262.441 3.246 20 0 CGADMP CSC(C)(C)CC[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001184198398 810182086 /nfs/dbraw/zinc/18/20/86/810182086.db2.gz XBDVMVLKKJEJJT-UHFFFAOYSA-N 2 1 260.491 3.038 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001184376040 810197103 /nfs/dbraw/zinc/19/71/03/810197103.db2.gz ZAZKILATSFXFLU-UHFFFAOYSA-N 2 1 278.415 3.487 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001184376040 810197104 /nfs/dbraw/zinc/19/71/04/810197104.db2.gz ZAZKILATSFXFLU-UHFFFAOYSA-N 2 1 278.415 3.487 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)[C@@H]2C1 ZINC001184389588 810197821 /nfs/dbraw/zinc/19/78/21/810197821.db2.gz YLEPPIMBDSOGNZ-OMZCGLGVSA-N 2 1 298.474 3.328 20 0 CGADMP Cc1cc(NC[C@@H]2CCCC[N@H+](C)C2)nc(C2CCC2)n1 ZINC001187045916 810380937 /nfs/dbraw/zinc/38/09/37/810380937.db2.gz YNASEHJXBLGEAV-AWEZNQCLSA-N 2 1 288.439 3.196 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC001191454895 810715710 /nfs/dbraw/zinc/71/57/10/810715710.db2.gz SAIQXGASYJEIPP-QGZVFWFLSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001195213827 811226767 /nfs/dbraw/zinc/22/67/67/811226767.db2.gz JGFQTROBSOHSRW-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP C[N@H+](C[C@H](O)C[NH+]1CCCCC12CCCCCC2)C1CC1 ZINC001198740533 811540584 /nfs/dbraw/zinc/54/05/84/811540584.db2.gz ATTWQXZRGMWWCO-KRWDZBQOSA-N 2 1 294.483 3.020 20 0 CGADMP C[N@@H+](C[C@H](O)C[NH+]1CCCCC12CCCCCC2)C1CC1 ZINC001198740533 811540590 /nfs/dbraw/zinc/54/05/90/811540590.db2.gz ATTWQXZRGMWWCO-KRWDZBQOSA-N 2 1 294.483 3.020 20 0 CGADMP C[NH+](C[C@H](O)C[N@@H+]1CCCCC12CCCCCC2)C1CC1 ZINC001198740533 811540594 /nfs/dbraw/zinc/54/05/94/811540594.db2.gz ATTWQXZRGMWWCO-KRWDZBQOSA-N 2 1 294.483 3.020 20 0 CGADMP C[NH+](C[C@H](O)C[N@H+]1CCCCC12CCCCCC2)C1CC1 ZINC001198740533 811540598 /nfs/dbraw/zinc/54/05/98/811540598.db2.gz ATTWQXZRGMWWCO-KRWDZBQOSA-N 2 1 294.483 3.020 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001199248518 811566643 /nfs/dbraw/zinc/56/66/43/811566643.db2.gz VILPBUFVZRAGNC-UHFFFAOYSA-N 2 1 298.515 3.397 20 0 CGADMP CCC[C@H](C[NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC001199874466 811602612 /nfs/dbraw/zinc/60/26/12/811602612.db2.gz JBANNNBLQQTFCI-QGZVFWFLSA-N 2 1 271.408 3.365 20 0 CGADMP C[NH+](C)Cc1cccc(Nc2c[nH+]c3ccccn23)c1 ZINC001201392424 811826658 /nfs/dbraw/zinc/82/66/58/811826658.db2.gz FPSRMJBQMVNHGP-UHFFFAOYSA-N 2 1 266.348 3.140 20 0 CGADMP CCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201647364 811929972 /nfs/dbraw/zinc/92/99/72/811929972.db2.gz IACVPPHDISWYBW-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP CCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201647364 811929976 /nfs/dbraw/zinc/92/99/76/811929976.db2.gz IACVPPHDISWYBW-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP CCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201652898 811931711 /nfs/dbraw/zinc/93/17/11/811931711.db2.gz WXFKUGUDJVIZHQ-QZTJIDSGSA-N 2 1 272.436 3.240 20 0 CGADMP CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201652898 811931713 /nfs/dbraw/zinc/93/17/13/811931713.db2.gz WXFKUGUDJVIZHQ-QZTJIDSGSA-N 2 1 272.436 3.240 20 0 CGADMP CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201652898 811931718 /nfs/dbraw/zinc/93/17/18/811931718.db2.gz WXFKUGUDJVIZHQ-QZTJIDSGSA-N 2 1 272.436 3.240 20 0 CGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CC4)CC[C@@H]3C2)cc1 ZINC001201976771 811988228 /nfs/dbraw/zinc/98/82/28/811988228.db2.gz PEGTULWNAOWXIQ-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CC4)CC[C@@H]3C2)cc1 ZINC001201976771 811988231 /nfs/dbraw/zinc/98/82/31/811988231.db2.gz PEGTULWNAOWXIQ-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CC4)CC[C@@H]3C2)cc1 ZINC001201976771 811988234 /nfs/dbraw/zinc/98/82/34/811988234.db2.gz PEGTULWNAOWXIQ-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP c1csc(C[NH+]2C[C@H]3C[NH+](CC4CCCC4)C[C@@H]3C2)c1 ZINC001202138497 812024193 /nfs/dbraw/zinc/02/41/93/812024193.db2.gz HYEHQZPJLBLJIG-HZPDHXFCSA-N 2 1 290.476 3.302 20 0 CGADMP COc1[nH+]ccc(N)c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203785149 812460760 /nfs/dbraw/zinc/46/07/60/812460760.db2.gz CCCBWWYJNJOGPR-UHFFFAOYSA-N 2 1 298.390 3.012 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccsc2)CC1 ZINC001204036540 812528672 /nfs/dbraw/zinc/52/86/72/812528672.db2.gz XOQUJXHHKUSKAL-UHFFFAOYSA-N 2 1 287.432 3.191 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc(C(C)C)s1 ZINC001204111154 812551880 /nfs/dbraw/zinc/55/18/80/812551880.db2.gz QIRXZYJDZVYNBE-ZDUSSCGKSA-N 2 1 283.485 3.477 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(OC)CCCCCC2)[C@@H](C)C1 ZINC001204247924 812587350 /nfs/dbraw/zinc/58/73/50/812587350.db2.gz CUCOVLUWTVQPQQ-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(OC)CCCCCC2)[C@@H](C)C1 ZINC001204247924 812587354 /nfs/dbraw/zinc/58/73/54/812587354.db2.gz CUCOVLUWTVQPQQ-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(OC)CCCCCC2)[C@@H](C)C1 ZINC001204247924 812587358 /nfs/dbraw/zinc/58/73/58/812587358.db2.gz CUCOVLUWTVQPQQ-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(OC(C)C)cc1 ZINC001204457932 812646591 /nfs/dbraw/zinc/64/65/91/812646591.db2.gz OSQZXUDCRQDZJA-UHFFFAOYSA-N 2 1 287.407 3.192 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001204525342 812666751 /nfs/dbraw/zinc/66/67/51/812666751.db2.gz ZBYBDZKKUYXPHB-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001204525342 812666755 /nfs/dbraw/zinc/66/67/55/812666755.db2.gz ZBYBDZKKUYXPHB-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC001204585756 812682250 /nfs/dbraw/zinc/68/22/50/812682250.db2.gz YJWZFMSXJZLCHD-SFHVURJKSA-N 2 1 272.436 3.208 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccccc1 ZINC001204604188 812687227 /nfs/dbraw/zinc/68/72/27/812687227.db2.gz DTMXRRJRPYYSJE-UHFFFAOYSA-N 2 1 283.419 3.002 20 0 CGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ncccc2F)CC1 ZINC001204652109 812700082 /nfs/dbraw/zinc/70/00/82/812700082.db2.gz UWTHVCLOMXUOJM-UHFFFAOYSA-N 2 1 293.430 3.165 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncccc2F)CC1 ZINC001204652109 812700088 /nfs/dbraw/zinc/70/00/88/812700088.db2.gz UWTHVCLOMXUOJM-UHFFFAOYSA-N 2 1 293.430 3.165 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[NH2+]CC1 ZINC001204660809 812703011 /nfs/dbraw/zinc/70/30/11/812703011.db2.gz MKPJOPNNLQMETQ-UHFFFAOYSA-N 2 1 260.406 3.005 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CCC[NH2+]CC1 ZINC001204660809 812703016 /nfs/dbraw/zinc/70/30/16/812703016.db2.gz MKPJOPNNLQMETQ-UHFFFAOYSA-N 2 1 260.406 3.005 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c2ccccc12 ZINC001204770456 812730935 /nfs/dbraw/zinc/73/09/35/812730935.db2.gz FCHQAOQUJYPPMG-QGZVFWFLSA-N 2 1 254.377 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c2ccccc12 ZINC001204770456 812730937 /nfs/dbraw/zinc/73/09/37/812730937.db2.gz FCHQAOQUJYPPMG-QGZVFWFLSA-N 2 1 254.377 3.071 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)c(C)c2C)C1 ZINC001205008462 812823398 /nfs/dbraw/zinc/82/33/98/812823398.db2.gz BDCZMEGRKQBJHI-INIZCTEOSA-N 2 1 290.451 3.052 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC(C)C)ccc2C)C1 ZINC001205018002 812828477 /nfs/dbraw/zinc/82/84/77/812828477.db2.gz QGLCXCDVOJTFSY-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@H]([NH3+])CC2)C1(C)C ZINC001205088721 812857322 /nfs/dbraw/zinc/85/73/22/812857322.db2.gz RPSSSGXSHUXFRL-HUUCEWRRSA-N 2 1 250.430 3.182 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001205094484 812862179 /nfs/dbraw/zinc/86/21/79/812862179.db2.gz MTBMQLBUABJRTH-ZDUSSCGKSA-N 2 1 277.799 3.135 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205101299 812865933 /nfs/dbraw/zinc/86/59/33/812865933.db2.gz CYHGPUGSHLCDRT-CYBMUJFWSA-N 2 1 266.454 3.404 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3ccsc3c2)CC1 ZINC001205117825 812874802 /nfs/dbraw/zinc/87/48/02/812874802.db2.gz WLSNEIMHFOLSQP-AWEZNQCLSA-N 2 1 260.406 3.215 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cnc1-c1ccccc1 ZINC001205124254 812876511 /nfs/dbraw/zinc/87/65/11/812876511.db2.gz MNPXJCLHXWLRLO-GOSISDBHSA-N 2 1 295.430 3.370 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001205124416 812878008 /nfs/dbraw/zinc/87/80/08/812878008.db2.gz QVEHANDDSQYCKO-KRWDZBQOSA-N 2 1 258.409 3.267 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c3ccccc23)C[C@H]1C[NH3+] ZINC001205140183 812884909 /nfs/dbraw/zinc/88/49/09/812884909.db2.gz BPAABUCSVLLMBH-GXTWGEPZSA-N 2 1 272.367 3.006 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205156031 812890442 /nfs/dbraw/zinc/89/04/42/812890442.db2.gz MHPOKNPJIXMPSV-MAUKXSAKSA-N 2 1 295.430 3.084 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205155836 812890557 /nfs/dbraw/zinc/89/05/57/812890557.db2.gz GDRQIWPLAKHUOX-JKSUJKDBSA-N 2 1 290.451 3.117 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC001205255075 812917655 /nfs/dbraw/zinc/91/76/55/812917655.db2.gz GBZXYFSJJHSVKW-AWEZNQCLSA-N 2 1 252.789 3.043 20 0 CGADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1F ZINC001205251236 812917681 /nfs/dbraw/zinc/91/76/81/812917681.db2.gz JGFLRXVIGVOETH-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264715 812921341 /nfs/dbraw/zinc/92/13/41/812921341.db2.gz KWZXBXZXHHPZQH-QGZVFWFLSA-N 2 1 289.398 3.319 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273436 812924912 /nfs/dbraw/zinc/92/49/12/812924912.db2.gz KXXRDLQYPXHWDC-INIZCTEOSA-N 2 1 296.842 3.442 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273436 812924915 /nfs/dbraw/zinc/92/49/15/812924915.db2.gz KXXRDLQYPXHWDC-INIZCTEOSA-N 2 1 296.842 3.442 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3cccccc2-3)CC1 ZINC001205288760 812932823 /nfs/dbraw/zinc/93/28/23/812932823.db2.gz OEQCSNKFPSZNBU-SFHVURJKSA-N 2 1 268.404 3.495 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205295611 812936450 /nfs/dbraw/zinc/93/64/50/812936450.db2.gz AMEMDKGXJJDOOV-SFHVURJKSA-N 2 1 290.451 3.486 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296416 812937562 /nfs/dbraw/zinc/93/75/62/812937562.db2.gz OUAMQORVYSGSEW-HNNXBMFYSA-N 2 1 284.806 3.491 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296416 812937566 /nfs/dbraw/zinc/93/75/66/812937566.db2.gz OUAMQORVYSGSEW-HNNXBMFYSA-N 2 1 284.806 3.491 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC001205296837 812937990 /nfs/dbraw/zinc/93/79/90/812937990.db2.gz UPCYYJUODQALRN-VWNJHIHFSA-N 2 1 292.854 3.360 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC001205296334 812938097 /nfs/dbraw/zinc/93/80/97/812938097.db2.gz MOUUCOKCASQTGO-UKRRQHHQSA-N 2 1 280.843 3.189 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205304318 812941703 /nfs/dbraw/zinc/94/17/03/812941703.db2.gz NSOLHRHVJWFZSR-QAPCUYQASA-N 2 1 274.452 3.446 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1Cl ZINC001205317150 812949505 /nfs/dbraw/zinc/94/95/05/812949505.db2.gz MRRHNLCGAAIGLH-ABAIWWIYSA-N 2 1 280.843 3.374 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318523 812950092 /nfs/dbraw/zinc/95/00/92/812950092.db2.gz VQARPOORXVEDCA-PWSUYJOCSA-N 2 1 284.806 3.204 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318523 812950095 /nfs/dbraw/zinc/95/00/95/812950095.db2.gz VQARPOORXVEDCA-PWSUYJOCSA-N 2 1 284.806 3.204 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318766 812952446 /nfs/dbraw/zinc/95/24/46/812952446.db2.gz WHYFNFMEGPVNOF-YPMHNXCESA-N 2 1 298.883 3.479 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318766 812952450 /nfs/dbraw/zinc/95/24/50/812952450.db2.gz WHYFNFMEGPVNOF-YPMHNXCESA-N 2 1 298.883 3.479 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205332538 812958788 /nfs/dbraw/zinc/95/87/88/812958788.db2.gz RIYRRYJUDFMGSN-LBPRGKRZSA-N 2 1 286.341 3.198 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205332538 812958791 /nfs/dbraw/zinc/95/87/91/812958791.db2.gz RIYRRYJUDFMGSN-LBPRGKRZSA-N 2 1 286.341 3.198 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(C(F)F)c2)CC1 ZINC001205545493 813000637 /nfs/dbraw/zinc/00/06/37/813000637.db2.gz IAOLYZYCNOLVDO-HNNXBMFYSA-N 2 1 286.341 3.277 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205601349 813017044 /nfs/dbraw/zinc/01/70/44/813017044.db2.gz DQTXVKSQJHRGAR-RHSMWYFYSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(C)c1 ZINC001205603577 813019635 /nfs/dbraw/zinc/01/96/35/813019635.db2.gz QMWDVYNJYMGJAR-HOCLYGCPSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205618511 813028578 /nfs/dbraw/zinc/02/85/78/813028578.db2.gz WSESOFOKIHAQCF-DGCLKSJQSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1Cl ZINC001205629228 813034248 /nfs/dbraw/zinc/03/42/48/813034248.db2.gz YRFLBDGAGBHQJX-WFASDCNBSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(C)c1F ZINC001205627653 813034630 /nfs/dbraw/zinc/03/46/30/813034630.db2.gz RIKBEKGNTMLEPD-BLLLJJGKSA-N 2 1 278.415 3.249 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(CC(C)C)nc1 ZINC001205697298 813055945 /nfs/dbraw/zinc/05/59/45/813055945.db2.gz XRXSRMXLVSZCAS-UHFFFAOYSA-N 2 1 291.483 3.444 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(CC(C)C)nc1 ZINC001205697298 813055951 /nfs/dbraw/zinc/05/59/51/813055951.db2.gz XRXSRMXLVSZCAS-UHFFFAOYSA-N 2 1 291.483 3.444 20 0 CGADMP C[C@H](CC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1)CC(C)(C)C ZINC001205736486 813064142 /nfs/dbraw/zinc/06/41/42/813064142.db2.gz ZLGGLWZPVQWVAG-CHWSQXEVSA-N 2 1 276.415 3.365 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2csc3ccccc23)C1 ZINC001205828195 813100342 /nfs/dbraw/zinc/10/03/42/813100342.db2.gz KAZDELSMWMKSNR-GXTWGEPZSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2csc3ccccc23)C1 ZINC001205828195 813100345 /nfs/dbraw/zinc/10/03/45/813100345.db2.gz KAZDELSMWMKSNR-GXTWGEPZSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001205829118 813100563 /nfs/dbraw/zinc/10/05/63/813100563.db2.gz OBIUASMUMVDZID-CRAIPNDOSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001205829118 813100567 /nfs/dbraw/zinc/10/05/67/813100567.db2.gz OBIUASMUMVDZID-CRAIPNDOSA-N 2 1 283.419 3.037 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Cl ZINC001205901589 813122675 /nfs/dbraw/zinc/12/26/75/813122675.db2.gz DMYUKNJGMQJABA-GHMZBOCLSA-N 2 1 272.845 3.269 20 0 CGADMP Cc1csc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Cl ZINC001205901589 813122681 /nfs/dbraw/zinc/12/26/81/813122681.db2.gz DMYUKNJGMQJABA-GHMZBOCLSA-N 2 1 272.845 3.269 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC001205901618 813122830 /nfs/dbraw/zinc/12/28/30/813122830.db2.gz DROJKBBJZBKPRD-WCQYABFASA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2cccnc2)cc1 ZINC001205901978 813124369 /nfs/dbraw/zinc/12/43/69/813124369.db2.gz GPJXJNNASRLRKQ-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2ccccc21 ZINC001205904415 813125769 /nfs/dbraw/zinc/12/57/69/813125769.db2.gz VAWVWJGLASPTEB-GDBMZVCRSA-N 2 1 268.404 3.399 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912789 813129414 /nfs/dbraw/zinc/12/94/14/813129414.db2.gz CKDOEWZGABAHER-UONOGXRCSA-N 2 1 264.388 3.002 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Cl ZINC001205916012 813131372 /nfs/dbraw/zinc/13/13/72/813131372.db2.gz RKMGIGTTZCROOO-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1F ZINC001205991308 813154002 /nfs/dbraw/zinc/15/40/02/813154002.db2.gz ABVRSJRDKCJNBW-STQMWFEESA-N 2 1 282.378 3.080 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001205996343 813157887 /nfs/dbraw/zinc/15/78/87/813157887.db2.gz WHRWMKBWGLVVNB-CHWSQXEVSA-N 2 1 282.378 3.080 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205996585 813158524 /nfs/dbraw/zinc/15/85/24/813158524.db2.gz XMKYMFBETQENJG-WMLDXEAASA-N 2 1 260.425 3.056 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001205996346 813158591 /nfs/dbraw/zinc/15/85/91/813158591.db2.gz WHRWMKBWGLVVNB-STQMWFEESA-N 2 1 282.378 3.080 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC001206004735 813161346 /nfs/dbraw/zinc/16/13/46/813161346.db2.gz UUANLTIVPRBIKG-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003279 813161655 /nfs/dbraw/zinc/16/16/55/813161655.db2.gz GHRKOUCINIMDRZ-JKSUJKDBSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3cn2)CCC[C@@H]1C[NH3+] ZINC001206005022 813162865 /nfs/dbraw/zinc/16/28/65/813162865.db2.gz WIRPEOGVSCMUBP-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccsc2Cl)CCC[C@H]1C[NH3+] ZINC001206011138 813163644 /nfs/dbraw/zinc/16/36/44/813163644.db2.gz AFAZXBDAFALCRL-QWRGUYRKSA-N 2 1 272.845 3.208 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)C1(C)C ZINC001206036684 813175303 /nfs/dbraw/zinc/17/53/03/813175303.db2.gz NQYKWXPFUVBHNK-VHDGCEQUSA-N 2 1 250.430 3.038 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c3ccoc3ccc2F)CCC[C@@H]1C[NH3+] ZINC001206036679 813175492 /nfs/dbraw/zinc/17/54/92/813175492.db2.gz NOPYPUZKMIPAFP-CHWSQXEVSA-N 2 1 290.382 3.379 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206036686 813176162 /nfs/dbraw/zinc/17/61/62/813176162.db2.gz NWYJMHFLWAGROW-ARFHVFGLSA-N 2 1 252.446 3.428 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001206084554 813194513 /nfs/dbraw/zinc/19/45/13/813194513.db2.gz LXCCGTJGEQMTKL-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001206084554 813194516 /nfs/dbraw/zinc/19/45/16/813194516.db2.gz LXCCGTJGEQMTKL-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3ccc(Cl)cc23)CC[C@H]1F ZINC001206165796 813222538 /nfs/dbraw/zinc/22/25/38/813222538.db2.gz OUWJAJWLMNOVCS-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC[C@H]1F ZINC001206165796 813222543 /nfs/dbraw/zinc/22/25/43/813222543.db2.gz OUWJAJWLMNOVCS-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3sccc32)CC[C@H]1F ZINC001206200145 813236646 /nfs/dbraw/zinc/23/66/46/813236646.db2.gz QQFNCAXFTSRYPL-ZIAGYGMSSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3sccc32)CC[C@H]1F ZINC001206200145 813236651 /nfs/dbraw/zinc/23/66/51/813236651.db2.gz QQFNCAXFTSRYPL-ZIAGYGMSSA-N 2 1 278.396 3.163 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC001206246836 813254313 /nfs/dbraw/zinc/25/43/13/813254313.db2.gz AVBZWENBOPYIAY-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC001206246836 813254314 /nfs/dbraw/zinc/25/43/14/813254314.db2.gz AVBZWENBOPYIAY-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1CCCCCc1ccccc1 ZINC001206258425 813259689 /nfs/dbraw/zinc/25/96/89/813259689.db2.gz YQGZMFZNHZITRX-INIZCTEOSA-N 2 1 260.425 3.083 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001206276758 813266681 /nfs/dbraw/zinc/26/66/81/813266681.db2.gz IFDGFZIZBZHVFV-CQSZACIVSA-N 2 1 260.425 3.025 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001206276758 813266685 /nfs/dbraw/zinc/26/66/85/813266685.db2.gz IFDGFZIZBZHVFV-CQSZACIVSA-N 2 1 260.425 3.025 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001206277347 813268451 /nfs/dbraw/zinc/26/84/51/813268451.db2.gz SHCGVLYGPNZOOE-CYBMUJFWSA-N 2 1 272.367 3.020 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001206277347 813268454 /nfs/dbraw/zinc/26/84/54/813268454.db2.gz SHCGVLYGPNZOOE-CYBMUJFWSA-N 2 1 272.367 3.020 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001206293261 813274701 /nfs/dbraw/zinc/27/47/01/813274701.db2.gz GXXRFNXULOGQOM-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304672 813281945 /nfs/dbraw/zinc/28/19/45/813281945.db2.gz NVORFAYTKRFZOJ-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304673 813282284 /nfs/dbraw/zinc/28/22/84/813282284.db2.gz NVORFAYTKRFZOJ-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ncsc3c2)CC1 ZINC001206317803 813287084 /nfs/dbraw/zinc/28/70/84/813287084.db2.gz ISVUTMCLTRZVAN-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542109 813345470 /nfs/dbraw/zinc/34/54/70/813345470.db2.gz ROKWEAATXOFOLE-INIZCTEOSA-N 2 1 278.465 3.359 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001206550136 813349554 /nfs/dbraw/zinc/34/95/54/813349554.db2.gz WBEUTJUDEZKZFH-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001206550136 813349559 /nfs/dbraw/zinc/34/95/59/813349559.db2.gz WBEUTJUDEZKZFH-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2C2CCC2)CC1 ZINC001206552654 813351005 /nfs/dbraw/zinc/35/10/05/813351005.db2.gz LXGHDGWXWKRGIT-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556806 813351760 /nfs/dbraw/zinc/35/17/60/813351760.db2.gz XMQLPLLXYYKUNK-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556806 813351766 /nfs/dbraw/zinc/35/17/66/813351766.db2.gz XMQLPLLXYYKUNK-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1F ZINC001206574199 813358768 /nfs/dbraw/zinc/35/87/68/813358768.db2.gz QKLGLTREAQXXLQ-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1F ZINC001206574199 813358773 /nfs/dbraw/zinc/35/87/73/813358773.db2.gz QKLGLTREAQXXLQ-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP Cc1c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc(F)c1F ZINC001206575824 813359411 /nfs/dbraw/zinc/35/94/11/813359411.db2.gz ZKMNITONMKXYTD-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc(F)c1F ZINC001206575824 813359419 /nfs/dbraw/zinc/35/94/19/813359419.db2.gz ZKMNITONMKXYTD-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206582723 813362165 /nfs/dbraw/zinc/36/21/65/813362165.db2.gz PBGCWLUBIYRGKT-AWEZNQCLSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206582723 813362173 /nfs/dbraw/zinc/36/21/73/813362173.db2.gz PBGCWLUBIYRGKT-AWEZNQCLSA-N 2 1 282.378 3.317 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc1F ZINC001206580107 813362430 /nfs/dbraw/zinc/36/24/30/813362430.db2.gz CHASNXUHDXVTTM-INIZCTEOSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206582213 813362983 /nfs/dbraw/zinc/36/29/83/813362983.db2.gz MZGWMCHGNVEDTH-AWEZNQCLSA-N 2 1 282.378 3.317 20 0 CGADMP CCOc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206581450 813363221 /nfs/dbraw/zinc/36/32/21/813363221.db2.gz IYBZAEBRHKQFFM-KRWDZBQOSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c2c1 ZINC001206615893 813374983 /nfs/dbraw/zinc/37/49/83/813374983.db2.gz JZPJKABTMXKGLX-AWEZNQCLSA-N 2 1 271.408 3.037 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc2c1 ZINC001206615094 813376236 /nfs/dbraw/zinc/37/62/36/813376236.db2.gz BXQVPHHAFKVCRB-CYBMUJFWSA-N 2 1 288.391 3.002 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Cl ZINC001206624698 813378600 /nfs/dbraw/zinc/37/86/00/813378600.db2.gz YOLOUEYRWOQYJQ-AWEZNQCLSA-N 2 1 296.842 3.300 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Cl ZINC001206624698 813378607 /nfs/dbraw/zinc/37/86/07/813378607.db2.gz YOLOUEYRWOQYJQ-AWEZNQCLSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c12 ZINC001206639434 813382734 /nfs/dbraw/zinc/38/27/34/813382734.db2.gz DDHXTNAEHWQPKA-HNNXBMFYSA-N 2 1 283.419 3.104 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2ccccc2-c2cccs2)C1 ZINC001206722768 813408609 /nfs/dbraw/zinc/40/86/09/813408609.db2.gz GFWUPVXGWDQTNS-UHFFFAOYSA-N 2 1 272.417 3.196 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(C)c1F ZINC001206767611 813430210 /nfs/dbraw/zinc/43/02/10/813430210.db2.gz CNCDNNNQJYCOBT-UONOGXRCSA-N 2 1 264.388 3.002 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001207282017 813534612 /nfs/dbraw/zinc/53/46/12/813534612.db2.gz CCSMLOJQTJMBLX-OAHLLOKOSA-N 2 1 278.415 3.203 20 0 CGADMP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC1CC[NH2+]CC1 ZINC001207439638 813565895 /nfs/dbraw/zinc/56/58/95/813565895.db2.gz WQBGHEQJWXFYFD-IRXDYDNUSA-N 2 1 282.472 3.249 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)cn1 ZINC001207486241 813572554 /nfs/dbraw/zinc/57/25/54/813572554.db2.gz FDROPRMYWFWLLM-SFHVURJKSA-N 2 1 287.451 3.259 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001207486060 813572796 /nfs/dbraw/zinc/57/27/96/813572796.db2.gz CRUBLAFXCZZWCI-UHFFFAOYSA-N 2 1 282.447 3.323 20 0 CGADMP C[NH+]1CCC(CC[N@@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001207487509 813574354 /nfs/dbraw/zinc/57/43/54/813574354.db2.gz LMLJXLPBBWHMFZ-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001207487509 813574355 /nfs/dbraw/zinc/57/43/55/813574355.db2.gz LMLJXLPBBWHMFZ-UHFFFAOYSA-N 2 1 278.827 3.388 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)cc1 ZINC001207522240 813585733 /nfs/dbraw/zinc/58/57/33/813585733.db2.gz CBPJYPCCQMYWEN-MOPGFXCFSA-N 2 1 286.463 3.379 20 0 CGADMP Clc1cccc(CCC[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001207592670 813603681 /nfs/dbraw/zinc/60/36/81/813603681.db2.gz AELFMAHKWBHTID-UHFFFAOYSA-N 2 1 292.854 3.443 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207671445 813630682 /nfs/dbraw/zinc/63/06/82/813630682.db2.gz YYPUAHFHBMISIE-INIZCTEOSA-N 2 1 298.515 3.227 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001207837390 813657990 /nfs/dbraw/zinc/65/79/90/813657990.db2.gz PLSBYZWGOMDHNU-XLNGHYISSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CC1(c2ccccc2)CC1 ZINC001207841601 813659897 /nfs/dbraw/zinc/65/98/97/813659897.db2.gz YJDRSWQZEJHHBN-UHFFFAOYSA-N 2 1 274.452 3.382 20 0 CGADMP Cc1cccc(C[N@H+](C)CC2(C)CC[NH+](C)CC2)c1 ZINC001208104289 813693225 /nfs/dbraw/zinc/69/32/25/813693225.db2.gz KVKJQSNSFOFQFX-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001208112121 813694700 /nfs/dbraw/zinc/69/47/00/813694700.db2.gz QTVWNIISDIPKOP-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208109015 813695030 /nfs/dbraw/zinc/69/50/30/813695030.db2.gz JJFIQADSLZVIEL-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001208173222 813727680 /nfs/dbraw/zinc/72/76/80/813727680.db2.gz HPJQRSIGDKVGQZ-IRXDYDNUSA-N 2 1 264.457 3.397 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001208179369 813730324 /nfs/dbraw/zinc/73/03/24/813730324.db2.gz XXJDMGQNKLOSQQ-WBVHZDCISA-N 2 1 264.457 3.252 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2cccs2)C1 ZINC001208610175 813773448 /nfs/dbraw/zinc/77/34/48/813773448.db2.gz ZKVVOQIPYADBFU-KBPBESRZSA-N 2 1 264.438 3.227 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2cccs2)C1 ZINC001208610175 813773451 /nfs/dbraw/zinc/77/34/51/813773451.db2.gz ZKVVOQIPYADBFU-KBPBESRZSA-N 2 1 264.438 3.227 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC001208610175 813773456 /nfs/dbraw/zinc/77/34/56/813773456.db2.gz ZKVVOQIPYADBFU-KBPBESRZSA-N 2 1 264.438 3.227 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccs2)C1 ZINC001208610175 813773465 /nfs/dbraw/zinc/77/34/65/813773465.db2.gz ZKVVOQIPYADBFU-KBPBESRZSA-N 2 1 264.438 3.227 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(C)(c3ccccc3)CC2)C1 ZINC001208613952 813774306 /nfs/dbraw/zinc/77/43/06/813774306.db2.gz BJKRIYNSIJUBEV-KRWDZBQOSA-N 2 1 286.463 3.382 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208663411 813785669 /nfs/dbraw/zinc/78/56/69/813785669.db2.gz KFXXGIGKPGSFTI-HRCADAONSA-N 2 1 266.473 3.332 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208663411 813785671 /nfs/dbraw/zinc/78/56/71/813785671.db2.gz KFXXGIGKPGSFTI-HRCADAONSA-N 2 1 266.473 3.332 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208663411 813785674 /nfs/dbraw/zinc/78/56/74/813785674.db2.gz KFXXGIGKPGSFTI-HRCADAONSA-N 2 1 266.473 3.332 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001208741370 813830175 /nfs/dbraw/zinc/83/01/75/813830175.db2.gz CWALJUMOAMULIY-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001208741370 813830181 /nfs/dbraw/zinc/83/01/81/813830181.db2.gz CWALJUMOAMULIY-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001208741370 813830186 /nfs/dbraw/zinc/83/01/86/813830186.db2.gz CWALJUMOAMULIY-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208932026 813903118 /nfs/dbraw/zinc/90/31/18/813903118.db2.gz NDLZAAQQMFWLIH-NJAFHUGGSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208932026 813903126 /nfs/dbraw/zinc/90/31/26/813903126.db2.gz NDLZAAQQMFWLIH-NJAFHUGGSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208932026 813903131 /nfs/dbraw/zinc/90/31/31/813903131.db2.gz NDLZAAQQMFWLIH-NJAFHUGGSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208932026 813903136 /nfs/dbraw/zinc/90/31/36/813903136.db2.gz NDLZAAQQMFWLIH-NJAFHUGGSA-N 2 1 290.426 3.188 20 0 CGADMP FC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949316 813906531 /nfs/dbraw/zinc/90/65/31/813906531.db2.gz KUDLQYQSVWOSFR-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP FC[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949316 813906539 /nfs/dbraw/zinc/90/65/39/813906539.db2.gz KUDLQYQSVWOSFR-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP FC[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949316 813906545 /nfs/dbraw/zinc/90/65/45/813906545.db2.gz KUDLQYQSVWOSFR-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP CC1(C)[C@@H]2C[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208951974 813907545 /nfs/dbraw/zinc/90/75/45/813907545.db2.gz GHQWULDEMFQGTI-OKZBNKHCSA-N 2 1 284.447 3.096 20 0 CGADMP CC1(C)[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208951974 813907553 /nfs/dbraw/zinc/90/75/53/813907553.db2.gz GHQWULDEMFQGTI-OKZBNKHCSA-N 2 1 284.447 3.096 20 0 CGADMP CC1(C)[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208951974 813907558 /nfs/dbraw/zinc/90/75/58/813907558.db2.gz GHQWULDEMFQGTI-OKZBNKHCSA-N 2 1 284.447 3.096 20 0 CGADMP c1[nH+]c2ccccn2c1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210706176 814589948 /nfs/dbraw/zinc/58/99/48/814589948.db2.gz UQBOWGLSZPQJND-HNNXBMFYSA-N 2 1 282.391 3.278 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(C)c1F ZINC001222147879 816359264 /nfs/dbraw/zinc/35/92/64/816359264.db2.gz DFGHWOKJJMVJHA-KRWDZBQOSA-N 2 1 276.399 3.018 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(C)c1F ZINC001222147879 816359268 /nfs/dbraw/zinc/35/92/68/816359268.db2.gz DFGHWOKJJMVJHA-KRWDZBQOSA-N 2 1 276.399 3.018 20 0 CGADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001222147890 816360374 /nfs/dbraw/zinc/36/03/74/816360374.db2.gz DPEAABMTOJAKBD-LJQANCHMSA-N 2 1 284.447 3.141 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155145 816363290 /nfs/dbraw/zinc/36/32/90/816363290.db2.gz WONYIKDDKPQDRV-WJFTUGDTSA-N 2 1 288.479 3.444 20 0 CGADMP COc1cc(C)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1C ZINC001222237150 816381595 /nfs/dbraw/zinc/38/15/95/816381595.db2.gz FHVHAWMFIPFCAX-SFHVURJKSA-N 2 1 288.435 3.030 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1C ZINC001222237150 816381603 /nfs/dbraw/zinc/38/16/03/816381603.db2.gz FHVHAWMFIPFCAX-SFHVURJKSA-N 2 1 288.435 3.030 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222307711 816403439 /nfs/dbraw/zinc/40/34/39/816403439.db2.gz AEFBQGXMTHNCJU-KRWDZBQOSA-N 2 1 258.409 3.103 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1F ZINC001222309249 816403721 /nfs/dbraw/zinc/40/37/21/816403721.db2.gz OYNVXHAOJKMIFY-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222310856 816405089 /nfs/dbraw/zinc/40/50/89/816405089.db2.gz WTNNDAXTFYTDQV-KRWDZBQOSA-N 2 1 294.389 3.115 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222315407 816406276 /nfs/dbraw/zinc/40/62/76/816406276.db2.gz NFGUOLFYOCZLNH-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP CC/C=C\CCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335415 816410456 /nfs/dbraw/zinc/41/04/56/816410456.db2.gz MAJOPOJJLIGLBF-ARJAWSKDSA-N 2 1 250.430 3.198 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344882 816413915 /nfs/dbraw/zinc/41/39/15/816413915.db2.gz FQTPXEBTVBQDMJ-QGZVFWFLSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344882 816413921 /nfs/dbraw/zinc/41/39/21/816413921.db2.gz FQTPXEBTVBQDMJ-QGZVFWFLSA-N 2 1 258.409 3.021 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001222420480 816439611 /nfs/dbraw/zinc/43/96/11/816439611.db2.gz DDLCMOMAKDYRHE-BBWFWOEESA-N 2 1 262.441 3.197 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21)CC(C)(C)C ZINC001222615996 816478792 /nfs/dbraw/zinc/47/87/92/816478792.db2.gz VDJDYSGKBAFVSP-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CCOC(=[NH2+])c1ccc(-c2ccc(C[NH2+]C)cc2)cc1 ZINC001242994288 823202936 /nfs/dbraw/zinc/20/29/36/823202936.db2.gz UZQYJOPUWZFHQX-UHFFFAOYSA-N 2 1 268.360 3.435 20 0 CGADMP C[NH+](C)CC[C@H](O[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001224133916 816738690 /nfs/dbraw/zinc/73/86/90/816738690.db2.gz OJUXHIVHOHIXFF-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP CC[N@H+]1CCC[C@@H](O[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224136009 816739813 /nfs/dbraw/zinc/73/98/13/816739813.db2.gz YHJCIZBNNQHSOB-QZTJIDSGSA-N 2 1 290.451 3.180 20 0 CGADMP CCCOc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226782979 817463630 /nfs/dbraw/zinc/46/36/30/817463630.db2.gz AJTNWNGSUYWKSZ-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)cc3C)C[C@@H]2C1 ZINC001231485911 818109015 /nfs/dbraw/zinc/10/90/15/818109015.db2.gz PALJBPJQOQAERD-KDURUIRLSA-N 2 1 286.463 3.385 20 0 CGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232444267 818351473 /nfs/dbraw/zinc/35/14/73/818351473.db2.gz SMJQKNICNUBCNK-UHFFFAOYSA-N 2 1 290.329 3.072 20 0 CGADMP C[N@H+](Cc1ccc2ncsc2c1)CC1CC[NH+](C)CC1 ZINC001232740941 818431103 /nfs/dbraw/zinc/43/11/03/818431103.db2.gz LQESGUTZBRITLV-UHFFFAOYSA-N 2 1 289.448 3.070 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912869 818473789 /nfs/dbraw/zinc/47/37/89/818473789.db2.gz YFMSLCZPJLNQSL-IEBWSBKVSA-N 2 1 295.430 3.003 20 0 CGADMP Oc1cc2ccccc2c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234998866 818973743 /nfs/dbraw/zinc/97/37/43/818973743.db2.gz KXSQMUNEEROCRZ-IBGZPJMESA-N 2 1 296.414 3.121 20 0 CGADMP C[C@@H](CC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1)CC(C)(C)C ZINC001235004585 818975976 /nfs/dbraw/zinc/97/59/76/818975976.db2.gz BPIOWEWCNOOTAU-FUHWJXTLSA-N 2 1 296.499 3.151 20 0 CGADMP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235030999 818982861 /nfs/dbraw/zinc/98/28/61/818982861.db2.gz KRQBVWNTHPVGGN-RBUKOAKNSA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235030999 818982866 /nfs/dbraw/zinc/98/28/66/818982866.db2.gz KRQBVWNTHPVGGN-RBUKOAKNSA-N 2 1 278.399 3.147 20 0 CGADMP Clc1ccc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001235032529 818984544 /nfs/dbraw/zinc/98/45/44/818984544.db2.gz QNOXSSPAFUDHBU-HNNXBMFYSA-N 2 1 299.245 3.221 20 0 CGADMP Clc1ccc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001235032529 818984550 /nfs/dbraw/zinc/98/45/50/818984550.db2.gz QNOXSSPAFUDHBU-HNNXBMFYSA-N 2 1 299.245 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235031661 818985147 /nfs/dbraw/zinc/98/51/47/818985147.db2.gz NFHCRMJISBWJFS-LJQANCHMSA-N 2 1 280.415 3.334 20 0 CGADMP Clc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042272 818988915 /nfs/dbraw/zinc/98/89/15/818988915.db2.gz XKEWTGQSQAWRFR-MRXNPFEDSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042272 818988920 /nfs/dbraw/zinc/98/89/20/818988920.db2.gz XKEWTGQSQAWRFR-MRXNPFEDSA-N 2 1 278.827 3.448 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235043762 818990662 /nfs/dbraw/zinc/99/06/62/818990662.db2.gz HDSSQQWYELXMRG-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP C[C@H](CC[N@@H+]1CCC[C@]12CC[NH2+]C2)CC(C)(C)C ZINC001235111761 819007479 /nfs/dbraw/zinc/00/74/79/819007479.db2.gz UYWLIYZGNIQYBL-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@]12CC[NH2+]C2)CC(C)(C)C ZINC001235111761 819007483 /nfs/dbraw/zinc/00/74/83/819007483.db2.gz UYWLIYZGNIQYBL-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c2cccccc1-2 ZINC001235116446 819010141 /nfs/dbraw/zinc/01/01/41/819010141.db2.gz WJODHUPSXPFVGN-SFHVURJKSA-N 2 1 266.388 3.119 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c2cccccc1-2 ZINC001235116446 819010144 /nfs/dbraw/zinc/01/01/44/819010144.db2.gz WJODHUPSXPFVGN-SFHVURJKSA-N 2 1 266.388 3.119 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001235126587 819011841 /nfs/dbraw/zinc/01/18/41/819011841.db2.gz URIUMSIZHSXTJT-BBWFWOEESA-N 2 1 262.441 3.197 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235145328 819015185 /nfs/dbraw/zinc/01/51/85/819015185.db2.gz UGQDMGZTHHWTTJ-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151614 819017684 /nfs/dbraw/zinc/01/76/84/819017684.db2.gz IGQKDTFMTJEVLN-XOYOTBSWSA-N 2 1 274.452 3.053 20 0 CGADMP Fc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235159166 819020056 /nfs/dbraw/zinc/02/00/56/819020056.db2.gz VVBUGHXMVJZWEH-QGZVFWFLSA-N 2 1 294.389 3.319 20 0 CGADMP Cn1ccc2c1cccc2C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167523 819020867 /nfs/dbraw/zinc/02/08/67/819020867.db2.gz KMZZMAYIQGQINJ-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167523 819020874 /nfs/dbraw/zinc/02/08/74/819020874.db2.gz KMZZMAYIQGQINJ-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP Cc1c(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cccc1-c1ccccc1 ZINC001235211610 819037377 /nfs/dbraw/zinc/03/73/77/819037377.db2.gz YTKRFXVKQNUWJO-BWTSREIZSA-N 2 1 278.399 3.051 20 0 CGADMP C[N@H+](Cc1cc2cccc(F)c2[nH]1)CC1CC[NH+](C)CC1 ZINC001235247615 819048507 /nfs/dbraw/zinc/04/85/07/819048507.db2.gz PSHYVMPWFNLJIK-UHFFFAOYSA-N 2 1 289.398 3.081 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235255239 819051662 /nfs/dbraw/zinc/05/16/62/819051662.db2.gz LYGXCVSPZGHGQP-XEZPLFJOSA-N 2 1 297.446 3.387 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235262691 819056206 /nfs/dbraw/zinc/05/62/06/819056206.db2.gz RVFGCNMWPXQHCT-PXNSSMCTSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235262691 819056211 /nfs/dbraw/zinc/05/62/11/819056211.db2.gz RVFGCNMWPXQHCT-PXNSSMCTSA-N 2 1 292.426 3.456 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC001235276542 819061399 /nfs/dbraw/zinc/06/13/99/819061399.db2.gz ZHTCMHRXLRDYIB-CJNGLKHVSA-N 2 1 278.465 3.275 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC001235276542 819061403 /nfs/dbraw/zinc/06/14/03/819061403.db2.gz ZHTCMHRXLRDYIB-CJNGLKHVSA-N 2 1 278.465 3.275 20 0 CGADMP c1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)co1 ZINC001235368322 819080529 /nfs/dbraw/zinc/08/05/29/819080529.db2.gz VOOXAHRUMBAIAR-MOPGFXCFSA-N 2 1 296.414 3.033 20 0 CGADMP c1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)co1 ZINC001235368322 819080533 /nfs/dbraw/zinc/08/05/33/819080533.db2.gz VOOXAHRUMBAIAR-MOPGFXCFSA-N 2 1 296.414 3.033 20 0 CGADMP c1csc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235379744 819081165 /nfs/dbraw/zinc/08/11/65/819081165.db2.gz QMPQNOBZQFWCJY-MSOLQXFVSA-N 2 1 298.455 3.327 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)o1 ZINC001235379337 819081190 /nfs/dbraw/zinc/08/11/90/819081190.db2.gz OGSJLPTYCQDSIJ-MOPGFXCFSA-N 2 1 296.414 3.167 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)o1 ZINC001235379337 819081195 /nfs/dbraw/zinc/08/11/95/819081195.db2.gz OGSJLPTYCQDSIJ-MOPGFXCFSA-N 2 1 296.414 3.167 20 0 CGADMP CCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426670 819093355 /nfs/dbraw/zinc/09/33/55/819093355.db2.gz PVTRFUKSFIQJMA-CVEARBPZSA-N 2 1 252.446 3.278 20 0 CGADMP C[N@H+](Cc1ccc(C2CCC2)cc1)CC1CC[NH2+]CC1 ZINC001235432117 819095646 /nfs/dbraw/zinc/09/56/46/819095646.db2.gz IUUCJSILXOONBK-UHFFFAOYSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc2oc3ccccc3c2c1 ZINC001235435812 819100036 /nfs/dbraw/zinc/10/00/36/819100036.db2.gz ZWCLZQGFXWVAMM-UHFFFAOYSA-N 2 1 268.360 3.367 20 0 CGADMP COC[C@@]12CCC[C@@H]1C[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235568904 819120806 /nfs/dbraw/zinc/12/08/06/819120806.db2.gz IUGSMNKUYAMQMN-AEFFLSMTSA-N 2 1 294.483 3.047 20 0 CGADMP Cc1ccccc1C[N@@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235659906 819130041 /nfs/dbraw/zinc/13/00/41/819130041.db2.gz CLPSMWQEIQVGKC-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(C)c1OC(C)C ZINC001235673509 819134017 /nfs/dbraw/zinc/13/40/17/819134017.db2.gz BFWCZTJMWRAILE-INIZCTEOSA-N 2 1 290.451 3.261 20 0 CGADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001235690686 819141309 /nfs/dbraw/zinc/14/13/09/819141309.db2.gz MXFLVSSOWYSNHY-KUNBBXKYSA-N 2 1 292.467 3.002 20 0 CGADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001235690686 819141311 /nfs/dbraw/zinc/14/13/11/819141311.db2.gz MXFLVSSOWYSNHY-KUNBBXKYSA-N 2 1 292.467 3.002 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001235689133 819141558 /nfs/dbraw/zinc/14/15/58/819141558.db2.gz AKRWGSIDBBCXTO-LESVLKBLSA-N 2 1 276.468 3.419 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711728 819148211 /nfs/dbraw/zinc/14/82/11/819148211.db2.gz UGLNMFBBBRMZRZ-HOCLYGCPSA-N 2 1 290.838 3.129 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c(C)c1 ZINC001235715806 819149757 /nfs/dbraw/zinc/14/97/57/819149757.db2.gz XQJYSHKINDMNNS-UHFFFAOYSA-N 2 1 274.452 3.433 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(C(C)(C)C)c[nH]1 ZINC001235717572 819150036 /nfs/dbraw/zinc/15/00/36/819150036.db2.gz KPKYSSBMQMMPOS-UHFFFAOYSA-N 2 1 277.456 3.134 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1C1CC1 ZINC001235716713 819150198 /nfs/dbraw/zinc/15/01/98/819150198.db2.gz HPQRXASBHMDJLJ-UHFFFAOYSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@@H+](CCc1cccs1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235718557 819151584 /nfs/dbraw/zinc/15/15/84/819151584.db2.gz KICWQGCCTWPBTK-UHFFFAOYSA-N 2 1 286.444 3.068 20 0 CGADMP c1c(C[N@H+]2CCC3(CCCC3)C2)sc2c1CC[NH2+]C2 ZINC001235726032 819155138 /nfs/dbraw/zinc/15/51/38/819155138.db2.gz LXLHXRZDQNBVFI-UHFFFAOYSA-N 2 1 276.449 3.160 20 0 CGADMP CC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001235761302 819161842 /nfs/dbraw/zinc/16/18/42/819161842.db2.gz SMQHDCFWOPSOQO-OAHLLOKOSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)c1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC001235751385 819162314 /nfs/dbraw/zinc/16/23/14/819162314.db2.gz XOBHRBOPZZDFPM-ZDUSSCGKSA-N 2 1 266.816 3.244 20 0 CGADMP CC(C)c1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC001235751385 819162317 /nfs/dbraw/zinc/16/23/17/819162317.db2.gz XOBHRBOPZZDFPM-ZDUSSCGKSA-N 2 1 266.816 3.244 20 0 CGADMP CC[N@H+](Cc1ccc(F)cc1OC(C)C)C1CC[NH2+]CC1 ZINC001235764459 819163095 /nfs/dbraw/zinc/16/30/95/819163095.db2.gz DUSSMEHRIUWYBI-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1OC(C)C)C1CC[NH2+]CC1 ZINC001235764459 819163101 /nfs/dbraw/zinc/16/31/01/819163101.db2.gz DUSSMEHRIUWYBI-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]3CCC[C@@H]31)CC[NH2+]C2 ZINC001235894191 819204683 /nfs/dbraw/zinc/20/46/83/819204683.db2.gz VHLIXJHSBSTTMI-QAPCUYQASA-N 2 1 270.420 3.097 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918722 819220280 /nfs/dbraw/zinc/22/02/80/819220280.db2.gz JPTSVKLZTXRSCC-OCCSQVGLSA-N 2 1 286.341 3.232 20 0 CGADMP CC[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918722 819220285 /nfs/dbraw/zinc/22/02/85/819220285.db2.gz JPTSVKLZTXRSCC-OCCSQVGLSA-N 2 1 286.341 3.232 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001235924961 819222959 /nfs/dbraw/zinc/22/29/59/819222959.db2.gz DASMHMBXQOONAQ-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])ccc1Br ZINC001235925028 819223477 /nfs/dbraw/zinc/22/34/77/819223477.db2.gz GSVQQXAJZHHCBZ-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])ccc1Br ZINC001235925028 819223482 /nfs/dbraw/zinc/22/34/82/819223482.db2.gz GSVQQXAJZHHCBZ-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235941946 819233906 /nfs/dbraw/zinc/23/39/06/819233906.db2.gz XKSYKJHXIURPLE-JSGCOSHPSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235941946 819233912 /nfs/dbraw/zinc/23/39/12/819233912.db2.gz XKSYKJHXIURPLE-JSGCOSHPSA-N 2 1 298.352 3.055 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235941227 819234465 /nfs/dbraw/zinc/23/44/65/819234465.db2.gz VCCWAHMXAMUBDN-SJORKVTESA-N 2 1 286.463 3.416 20 0 CGADMP CCCCOc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235950474 819240908 /nfs/dbraw/zinc/24/09/08/819240908.db2.gz HQMMFDYJFQDOFH-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP C[N@@H+](CCC(C)(C)c1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235952554 819242616 /nfs/dbraw/zinc/24/26/16/819242616.db2.gz ZJOGEBWJCKFQEM-INIZCTEOSA-N 2 1 274.452 3.286 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957675 819245415 /nfs/dbraw/zinc/24/54/15/819245415.db2.gz RQEADJKBLSHIAO-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP COc1cc2ccccc2cc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957675 819245418 /nfs/dbraw/zinc/24/54/18/819245418.db2.gz RQEADJKBLSHIAO-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1C ZINC001235958612 819246346 /nfs/dbraw/zinc/24/63/46/819246346.db2.gz NBYDFNSFRUDHNI-MIFYACCESA-N 2 1 278.827 3.126 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1C ZINC001235958612 819246349 /nfs/dbraw/zinc/24/63/49/819246349.db2.gz NBYDFNSFRUDHNI-MIFYACCESA-N 2 1 278.827 3.126 20 0 CGADMP CC[N@H+](Cc1ccccc1F)CC1CC2(C1)CC[NH2+]CC2 ZINC001235959951 819247654 /nfs/dbraw/zinc/24/76/54/819247654.db2.gz FPNDGOUGGXWFPS-UHFFFAOYSA-N 2 1 290.426 3.427 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235961464 819249982 /nfs/dbraw/zinc/24/99/82/819249982.db2.gz BDXIPOACMFPSBG-CQSZACIVSA-N 2 1 296.414 3.491 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235990287 819262948 /nfs/dbraw/zinc/26/29/48/819262948.db2.gz MMXKIDAMDGBJKF-PKOBYXMFSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235990287 819262951 /nfs/dbraw/zinc/26/29/51/819262951.db2.gz MMXKIDAMDGBJKF-PKOBYXMFSA-N 2 1 278.399 3.277 20 0 CGADMP C[N@@H+](Cc1c[nH+]c(N)[nH]1)C1CCC(C(C)(C)C)CC1 ZINC001236007418 819272590 /nfs/dbraw/zinc/27/25/90/819272590.db2.gz BLMYCEGBCCKSDO-UHFFFAOYSA-N 2 1 264.417 3.029 20 0 CGADMP CC[N@H+](Cc1cccc2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001236010367 819273472 /nfs/dbraw/zinc/27/34/72/819273472.db2.gz QQOUBPYXUDJYHI-OAHLLOKOSA-N 2 1 258.365 3.007 20 0 CGADMP CC[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001236010367 819273477 /nfs/dbraw/zinc/27/34/77/819273477.db2.gz QQOUBPYXUDJYHI-OAHLLOKOSA-N 2 1 258.365 3.007 20 0 CGADMP CC[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC001236043035 819281020 /nfs/dbraw/zinc/28/10/20/819281020.db2.gz VMSLIPGNNDQXPD-MRXNPFEDSA-N 2 1 264.388 3.180 20 0 CGADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC001236043035 819281026 /nfs/dbraw/zinc/28/10/26/819281026.db2.gz VMSLIPGNNDQXPD-MRXNPFEDSA-N 2 1 264.388 3.180 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CCC[NH2+]1 ZINC001236101079 819317928 /nfs/dbraw/zinc/31/79/28/819317928.db2.gz TURATYIDOREYCZ-HNNXBMFYSA-N 2 1 296.414 3.243 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CCC[NH2+]1 ZINC001236101079 819317934 /nfs/dbraw/zinc/31/79/34/819317934.db2.gz TURATYIDOREYCZ-HNNXBMFYSA-N 2 1 296.414 3.243 20 0 CGADMP CCC[N@@H+](Cc1c(C)cc(OC)cc1C)C1CC[NH2+]CC1 ZINC001236183173 819359077 /nfs/dbraw/zinc/35/90/77/819359077.db2.gz WLQGAANGKZJQEL-UHFFFAOYSA-N 2 1 290.451 3.276 20 0 CGADMP [NH3+]C12CC(C[N@H+]3CCC[C@@H]3c3c[nH]c4ccccc34)(C1)C2 ZINC001236189348 819363298 /nfs/dbraw/zinc/36/32/98/819363298.db2.gz LMCFTDZSUOZCIQ-WWDZGPRUSA-N 2 1 281.403 3.186 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001236190292 819363581 /nfs/dbraw/zinc/36/35/81/819363581.db2.gz SRTNNRGBPGUBTI-GOSISDBHSA-N 2 1 283.419 3.304 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)ccc(C)c2F)CC1 ZINC001236211929 819374971 /nfs/dbraw/zinc/37/49/71/819374971.db2.gz AHJJTWZFOZFJQE-UHFFFAOYSA-N 2 1 282.378 3.236 20 0 CGADMP CSc1cc(C)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236217617 819381691 /nfs/dbraw/zinc/38/16/91/819381691.db2.gz QARRLDMIJPQUFU-HOTGVXAUSA-N 2 1 278.465 3.419 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236217617 819381697 /nfs/dbraw/zinc/38/16/97/819381697.db2.gz QARRLDMIJPQUFU-HOTGVXAUSA-N 2 1 278.465 3.419 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236218354 819383645 /nfs/dbraw/zinc/38/36/45/819383645.db2.gz SHUCESRNCYUETQ-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236218354 819383648 /nfs/dbraw/zinc/38/36/48/819383648.db2.gz SHUCESRNCYUETQ-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)cc1C ZINC001236240657 819400261 /nfs/dbraw/zinc/40/02/61/819400261.db2.gz LPSPJWPOYYWSNY-GDBMZVCRSA-N 2 1 296.405 3.226 20 0 CGADMP Cc1ccc(C[N@H+](C)C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)cc1C ZINC001236240657 819400265 /nfs/dbraw/zinc/40/02/65/819400265.db2.gz LPSPJWPOYYWSNY-GDBMZVCRSA-N 2 1 296.405 3.226 20 0 CGADMP Cc1ccc(C[N@H+](C)CC2(C)CC[NH2+]CC2)cc1C ZINC001236242227 819401074 /nfs/dbraw/zinc/40/10/74/819401074.db2.gz YKURNDJIXLEQNI-UHFFFAOYSA-N 2 1 260.425 3.125 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236244269 819402360 /nfs/dbraw/zinc/40/23/60/819402360.db2.gz JLFBEGFEQZVJLE-MAUKXSAKSA-N 2 1 274.452 3.412 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236244269 819402365 /nfs/dbraw/zinc/40/23/65/819402365.db2.gz JLFBEGFEQZVJLE-MAUKXSAKSA-N 2 1 274.452 3.412 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236244709 819402585 /nfs/dbraw/zinc/40/25/85/819402585.db2.gz FJEQCRDVVOQAOU-GFCCVEGCSA-N 2 1 260.406 3.133 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236244709 819402592 /nfs/dbraw/zinc/40/25/92/819402592.db2.gz FJEQCRDVVOQAOU-GFCCVEGCSA-N 2 1 260.406 3.133 20 0 CGADMP FC(F)(F)c1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313961 819420997 /nfs/dbraw/zinc/42/09/97/819420997.db2.gz BXQNESKBAFSDCQ-BETUJISGSA-N 2 1 298.352 3.137 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236321815 819424334 /nfs/dbraw/zinc/42/43/34/819424334.db2.gz MGFWENQEXJKESU-KDURUIRLSA-N 2 1 286.463 3.461 20 0 CGADMP CC[N@H+](Cc1ccc(OC)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236409186 819456168 /nfs/dbraw/zinc/45/61/68/819456168.db2.gz YJJROKNABKJPBZ-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CCSc1ccccc1C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236409734 819457236 /nfs/dbraw/zinc/45/72/36/819457236.db2.gz CZQNZMSZTLXQRZ-AWEZNQCLSA-N 2 1 278.465 3.230 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C)c2ccccc12 ZINC001236417219 819463544 /nfs/dbraw/zinc/46/35/44/819463544.db2.gz LNGMRYPIONLPKJ-MRXNPFEDSA-N 2 1 268.404 3.332 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C)c2ccccc12 ZINC001236417219 819463547 /nfs/dbraw/zinc/46/35/47/819463547.db2.gz LNGMRYPIONLPKJ-MRXNPFEDSA-N 2 1 268.404 3.332 20 0 CGADMP CC(C)(C)C[N@@H+](CCc1cccs1)C1CC[NH2+]CC1 ZINC001236456239 819485180 /nfs/dbraw/zinc/48/51/80/819485180.db2.gz AIINVOQXPYMXHZ-UHFFFAOYSA-N 2 1 280.481 3.391 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001236459415 819486234 /nfs/dbraw/zinc/48/62/34/819486234.db2.gz NIGSLJHLVPXQIH-UHFFFAOYSA-N 2 1 293.430 3.008 20 0 CGADMP CCCC[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001236516053 819511513 /nfs/dbraw/zinc/51/15/13/819511513.db2.gz JSKYDXNHGPPVJR-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550222 819533902 /nfs/dbraw/zinc/53/39/02/819533902.db2.gz IYLWIGAHAKEBRO-QAQDUYKDSA-N 2 1 260.425 3.415 20 0 CGADMP COc1cccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236549776 819533957 /nfs/dbraw/zinc/53/39/57/819533957.db2.gz BZQADXAUOHKTTE-QAQDUYKDSA-N 2 1 290.451 3.423 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C2CCC2)CC1 ZINC001236572844 819540439 /nfs/dbraw/zinc/54/04/39/819540439.db2.gz VHQPCOVXLGSSFF-IWSXDTNSSA-N 2 1 274.452 3.323 20 0 CGADMP CC(C)[N@@H+](CCC[NH2+]C1CCCCC1)C1CCN(C)CC1 ZINC001236583123 819544651 /nfs/dbraw/zinc/54/46/51/819544651.db2.gz PSMVOGGAZPZOFU-UHFFFAOYSA-N 2 1 295.515 3.103 20 0 CGADMP CC(C)N(CCC[NH2+]C1CCCCC1)C1CC[NH+](C)CC1 ZINC001236583123 819544657 /nfs/dbraw/zinc/54/46/57/819544657.db2.gz PSMVOGGAZPZOFU-UHFFFAOYSA-N 2 1 295.515 3.103 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236604173 819550292 /nfs/dbraw/zinc/55/02/92/819550292.db2.gz JGPAYVMWQWMKKX-CVEARBPZSA-N 2 1 252.446 3.430 20 0 CGADMP CC(C)(C)C[N@@H+](CCCCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768500 819591678 /nfs/dbraw/zinc/59/16/78/819591678.db2.gz NSSUXVMWQVYTLE-WKILWMFISA-N 3 1 283.504 3.124 20 0 CGADMP CCC(CC)[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783783 819594042 /nfs/dbraw/zinc/59/40/42/819594042.db2.gz ZMOZGDFGMHQOTP-SAABIXHNSA-N 3 1 295.515 3.137 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236819304 819606714 /nfs/dbraw/zinc/60/67/14/819606714.db2.gz MIYJVSKMAJJWAP-TUKIKUTGSA-N 2 1 298.352 3.183 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236836847 819616540 /nfs/dbraw/zinc/61/65/40/819616540.db2.gz YLIDPGBGOVTTCS-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cccc2nc(C)ccc12)C[C@H]1CC[NH2+]C1 ZINC001236842857 819618666 /nfs/dbraw/zinc/61/86/66/819618666.db2.gz BJBVRXZMWHSDKS-INIZCTEOSA-N 2 1 297.446 3.365 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236948665 819638126 /nfs/dbraw/zinc/63/81/26/819638126.db2.gz GMNYKTWYKAMCPW-QGZVFWFLSA-N 2 1 260.425 3.070 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@](C)(C[NH3+])C3)ccc2c1 ZINC001237060252 819656878 /nfs/dbraw/zinc/65/68/78/819656878.db2.gz YWCIZXUHCZKHEG-LJQANCHMSA-N 2 1 298.430 3.409 20 0 CGADMP c1cc2cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC001237142858 819676639 /nfs/dbraw/zinc/67/66/39/819676639.db2.gz CELZJLAZAFHYOZ-QGZVFWFLSA-N 2 1 283.419 3.274 20 0 CGADMP c1cc2cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC001237142858 819676644 /nfs/dbraw/zinc/67/66/44/819676644.db2.gz CELZJLAZAFHYOZ-QGZVFWFLSA-N 2 1 283.419 3.274 20 0 CGADMP c1cc2ccncc2c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237154109 819681682 /nfs/dbraw/zinc/68/16/82/819681682.db2.gz JIRAFJDVMJUWBF-GOSISDBHSA-N 2 1 295.430 3.341 20 0 CGADMP c1cc2ccncc2c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237154109 819681686 /nfs/dbraw/zinc/68/16/86/819681686.db2.gz JIRAFJDVMJUWBF-GOSISDBHSA-N 2 1 295.430 3.341 20 0 CGADMP Nc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001237222239 819701956 /nfs/dbraw/zinc/70/19/56/819701956.db2.gz WRZKCBHLSUJKNI-SFHVURJKSA-N 2 1 287.451 3.109 20 0 CGADMP CC/C=C\CC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275976 819713376 /nfs/dbraw/zinc/71/33/76/819713376.db2.gz SRPMBFBELUAKDQ-ARJAWSKDSA-N 2 1 284.447 3.480 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359892 819735623 /nfs/dbraw/zinc/73/56/23/819735623.db2.gz RGUHCZNRKXYHAF-CQSZACIVSA-N 2 1 258.409 3.127 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237380110 819737927 /nfs/dbraw/zinc/73/79/27/819737927.db2.gz FJCZSTDLYBTQKI-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237380110 819737931 /nfs/dbraw/zinc/73/79/31/819737931.db2.gz FJCZSTDLYBTQKI-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384114 819740206 /nfs/dbraw/zinc/74/02/06/819740206.db2.gz UMHFVSNFDNQBNE-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384114 819740207 /nfs/dbraw/zinc/74/02/07/819740207.db2.gz UMHFVSNFDNQBNE-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP FC(F)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237404593 819745670 /nfs/dbraw/zinc/74/56/70/819745670.db2.gz NXSGHGHKMPKWIX-HUUCEWRRSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237404593 819745674 /nfs/dbraw/zinc/74/56/74/819745674.db2.gz NXSGHGHKMPKWIX-HUUCEWRRSA-N 2 1 280.362 3.198 20 0 CGADMP Oc1cc2ccccc2c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412361 819747431 /nfs/dbraw/zinc/74/74/31/819747431.db2.gz IEOIPZDCHOJJLM-BEFAXECRSA-N 2 1 296.414 3.119 20 0 CGADMP Oc1cc2ccccc2c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412361 819747432 /nfs/dbraw/zinc/74/74/32/819747432.db2.gz IEOIPZDCHOJJLM-BEFAXECRSA-N 2 1 296.414 3.119 20 0 CGADMP CCc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1Cl ZINC001237736452 819827312 /nfs/dbraw/zinc/82/73/12/819827312.db2.gz PJTCUUBSJAFVCH-CVEARBPZSA-N 2 1 292.854 3.286 20 0 CGADMP CCc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1Cl ZINC001237736452 819827315 /nfs/dbraw/zinc/82/73/15/819827315.db2.gz PJTCUUBSJAFVCH-CVEARBPZSA-N 2 1 292.854 3.286 20 0 CGADMP CCc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc1Cl ZINC001237736452 819827326 /nfs/dbraw/zinc/82/73/26/819827326.db2.gz PJTCUUBSJAFVCH-CVEARBPZSA-N 2 1 292.854 3.286 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001238786345 820122101 /nfs/dbraw/zinc/12/21/01/820122101.db2.gz CKNOYFBBFSBRGG-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP [NH3+]Cc1ccccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240386463 821012064 /nfs/dbraw/zinc/01/20/64/821012064.db2.gz DDGPTSDORHLNLH-UHFFFAOYSA-N 2 1 278.399 3.435 20 0 CGADMP CC[N@H+]1CCCC[C@H]1c1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240874845 821383137 /nfs/dbraw/zinc/38/31/37/821383137.db2.gz BHKSQTHFNWUXKC-SFHVURJKSA-N 2 1 285.435 3.395 20 0 CGADMP COc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1C ZINC001241033995 821509717 /nfs/dbraw/zinc/50/97/17/821509717.db2.gz SQWZMTQVVLKSKD-UHFFFAOYSA-N 2 1 293.370 3.005 20 0 CGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CCC2 ZINC001345470552 936811501 /nfs/dbraw/zinc/81/15/01/936811501.db2.gz TXSVFBIPLBCATD-ARFHVFGLSA-N 2 1 290.455 3.091 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001348852403 936936989 /nfs/dbraw/zinc/93/69/89/936936989.db2.gz LNXXWFCUMAVPRU-ZIAGYGMSSA-N 2 1 268.351 3.374 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCOCC2CC2)CC1 ZINC001349709226 936958902 /nfs/dbraw/zinc/95/89/02/936958902.db2.gz HDRPQFHVIUYRSU-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(C)o1 ZINC001352112289 937036937 /nfs/dbraw/zinc/03/69/37/937036937.db2.gz MDZPHCYUWAHPTQ-XIRDDKMYSA-N 2 1 276.424 3.059 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001474558648 937205966 /nfs/dbraw/zinc/20/59/66/937205966.db2.gz VJEGBTHUEVWRKY-HOCLYGCPSA-N 2 1 260.425 3.035 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001474558648 937205970 /nfs/dbraw/zinc/20/59/70/937205970.db2.gz VJEGBTHUEVWRKY-HOCLYGCPSA-N 2 1 260.425 3.035 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]2CCCC[C@@H]12 ZINC001474382584 937204979 /nfs/dbraw/zinc/20/49/79/937204979.db2.gz FOPLDSPDTKRVGZ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCC4CC4)C[C@H]3C2)cc1 ZINC001307736977 928516520 /nfs/dbraw/zinc/51/65/20/928516520.db2.gz RHRQQLUFVLTISU-KDURUIRLSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCC4CC4)C[C@H]3C2)cc1 ZINC001307736977 928516534 /nfs/dbraw/zinc/51/65/34/928516534.db2.gz RHRQQLUFVLTISU-KDURUIRLSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCCC4CC4)C[C@H]3C2)cc1 ZINC001307736977 928516542 /nfs/dbraw/zinc/51/65/42/928516542.db2.gz RHRQQLUFVLTISU-KDURUIRLSA-N 2 1 284.447 3.240 20 0 CGADMP C1[C@H]2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]12 ZINC001462441056 928791954 /nfs/dbraw/zinc/79/19/54/928791954.db2.gz MLCIWLSADJPASU-YQFWSFKMSA-N 2 1 262.441 3.172 20 0 CGADMP C1[C@H]2CCC[C@@H]([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]12 ZINC001462441056 928791961 /nfs/dbraw/zinc/79/19/61/928791961.db2.gz MLCIWLSADJPASU-YQFWSFKMSA-N 2 1 262.441 3.172 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3CCC2CC3)[C@@H](C)C1 ZINC001459672303 937495598 /nfs/dbraw/zinc/49/55/98/937495598.db2.gz ZUSWHAKYGNROSW-FHZKDXSVSA-N 2 1 278.484 3.475 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001459575738 937491829 /nfs/dbraw/zinc/49/18/29/937491829.db2.gz IRLFZLOOUOLNNI-NCOADZHNSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001459575738 937491831 /nfs/dbraw/zinc/49/18/31/937491831.db2.gz IRLFZLOOUOLNNI-NCOADZHNSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001459575738 937491832 /nfs/dbraw/zinc/49/18/32/937491832.db2.gz IRLFZLOOUOLNNI-NCOADZHNSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](C)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001460304577 937525872 /nfs/dbraw/zinc/52/58/72/937525872.db2.gz LQXMJWPXPWSAFQ-GJZGRUSLSA-N 2 1 261.413 3.028 20 0 CGADMP CCOc1ccc(CC[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC001460919359 937553489 /nfs/dbraw/zinc/55/34/89/937553489.db2.gz RYGPHHZZGLXSPF-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP CCOc1ccc(CC[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001460919359 937553492 /nfs/dbraw/zinc/55/34/92/937553492.db2.gz RYGPHHZZGLXSPF-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001461644387 937590022 /nfs/dbraw/zinc/59/00/22/937590022.db2.gz WTCFIKQHHSOCFF-SOLBZPMBSA-N 2 1 294.483 3.331 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001461644387 937590024 /nfs/dbraw/zinc/59/00/24/937590024.db2.gz WTCFIKQHHSOCFF-SOLBZPMBSA-N 2 1 294.483 3.331 20 0 CGADMP Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001461590233 937587840 /nfs/dbraw/zinc/58/78/40/937587840.db2.gz NFSQTLIOCYRUSG-UXHICEINSA-N 2 1 294.442 3.430 20 0 CGADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001461847801 937602163 /nfs/dbraw/zinc/60/21/63/937602163.db2.gz CYFBANIOKGOSJV-QFBILLFUSA-N 2 1 286.463 3.281 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(C)c(C)c2)C1 ZINC001461919773 937606265 /nfs/dbraw/zinc/60/62/65/937606265.db2.gz NZKDAMWRDLVSED-GOSISDBHSA-N 2 1 274.452 3.120 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(C)c(C)c2)C1 ZINC001461919773 937606268 /nfs/dbraw/zinc/60/62/68/937606268.db2.gz NZKDAMWRDLVSED-GOSISDBHSA-N 2 1 274.452 3.120 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001462199346 937624834 /nfs/dbraw/zinc/62/48/34/937624834.db2.gz HLQPZDPHFNENJV-WBMJQRKESA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001462199346 937624836 /nfs/dbraw/zinc/62/48/36/937624836.db2.gz HLQPZDPHFNENJV-WBMJQRKESA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC001462199346 937624841 /nfs/dbraw/zinc/62/48/41/937624841.db2.gz HLQPZDPHFNENJV-WBMJQRKESA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC001462199346 937624843 /nfs/dbraw/zinc/62/48/43/937624843.db2.gz HLQPZDPHFNENJV-WBMJQRKESA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C)cc(CC[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC001462435762 937641436 /nfs/dbraw/zinc/64/14/36/937641436.db2.gz IQNNJVDULQOVLJ-GOSISDBHSA-N 2 1 274.452 3.167 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC001307515313 932965521 /nfs/dbraw/zinc/96/55/21/932965521.db2.gz ZYOLMFZIFQIDPI-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC001307515313 932965524 /nfs/dbraw/zinc/96/55/24/932965524.db2.gz ZYOLMFZIFQIDPI-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001307515313 932965530 /nfs/dbraw/zinc/96/55/30/932965530.db2.gz ZYOLMFZIFQIDPI-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP CC[C@@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)OC ZINC001307531201 932966288 /nfs/dbraw/zinc/96/62/88/932966288.db2.gz UBAGUMBYBDMRAW-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCC2CC2)cc1 ZINC001307645330 932980029 /nfs/dbraw/zinc/98/00/29/932980029.db2.gz XJCYIPOGYOZMQY-UHFFFAOYSA-N 2 1 260.425 3.370 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001308159619 933060866 /nfs/dbraw/zinc/06/08/66/933060866.db2.gz JASVPKIMOACXSO-SJORKVTESA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001308159619 933060868 /nfs/dbraw/zinc/06/08/68/933060868.db2.gz JASVPKIMOACXSO-SJORKVTESA-N 2 1 291.439 3.005 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC001308254401 933082055 /nfs/dbraw/zinc/08/20/55/933082055.db2.gz MWVRFNKESGEEAK-MRXNPFEDSA-N 2 1 286.463 3.385 20 0 CGADMP CCCC1CCC(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001308256397 933083330 /nfs/dbraw/zinc/08/33/30/933083330.db2.gz NEOJRJYMVYVKMN-OPQOLIRYSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC1CCC(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001308256397 933083333 /nfs/dbraw/zinc/08/33/33/933083333.db2.gz NEOJRJYMVYVKMN-OPQOLIRYSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCOc2cccc(C)c2)CC1 ZINC001308611825 933141323 /nfs/dbraw/zinc/14/13/23/933141323.db2.gz LFRXVVTWARQOJF-UHFFFAOYSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1ccc(CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC001308690080 933158638 /nfs/dbraw/zinc/15/86/38/933158638.db2.gz ZXHHGIQUYYRHID-GOSISDBHSA-N 2 1 274.452 3.262 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1 ZINC001308850163 933189355 /nfs/dbraw/zinc/18/93/55/933189355.db2.gz YPPUAHCYTZXNAU-KRWDZBQOSA-N 2 1 276.468 3.494 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@@H](C)C1 ZINC001319377244 933865656 /nfs/dbraw/zinc/86/56/56/933865656.db2.gz LLARNZPTPXZTGT-WMZOPIPTSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC001320527452 934061178 /nfs/dbraw/zinc/06/11/78/934061178.db2.gz XFMLXWKMLBVQDJ-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC001320527452 934061186 /nfs/dbraw/zinc/06/11/86/934061186.db2.gz XFMLXWKMLBVQDJ-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001320834900 934110825 /nfs/dbraw/zinc/11/08/25/934110825.db2.gz XBNJRFIVKXHMBY-DLBZAZTESA-N 2 1 264.457 3.375 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001323960251 934442447 /nfs/dbraw/zinc/44/24/47/934442447.db2.gz OVRJFHUXHFXDBC-KGLIPLIRSA-N 2 1 281.403 3.002 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2F)C1 ZINC001323977617 934445346 /nfs/dbraw/zinc/44/53/46/934445346.db2.gz PCVOZUAJQHPZIK-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2F)C1 ZINC001323977617 934445349 /nfs/dbraw/zinc/44/53/49/934445349.db2.gz PCVOZUAJQHPZIK-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@H]1CCCCC1(C)C ZINC001473182365 937795991 /nfs/dbraw/zinc/79/59/91/937795991.db2.gz BOUOUGHVMLVPHD-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@H]1CCCCC1(C)C ZINC001473182365 937795992 /nfs/dbraw/zinc/79/59/92/937795992.db2.gz BOUOUGHVMLVPHD-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@H]1CCCCC1(C)C ZINC001473182365 937795994 /nfs/dbraw/zinc/79/59/94/937795994.db2.gz BOUOUGHVMLVPHD-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCCCCC1 ZINC001473425302 937806796 /nfs/dbraw/zinc/80/67/96/937806796.db2.gz GONVSWHPUJVVBY-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP Clc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC001326278448 934965806 /nfs/dbraw/zinc/96/58/06/934965806.db2.gz WEEKPKZRNNQMQO-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCc3c1cccc3F)C2 ZINC001330566342 935296989 /nfs/dbraw/zinc/29/69/89/935296989.db2.gz JAQVNCMZHRCPFO-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCc3c1cccc3F)C2 ZINC001330566342 935296993 /nfs/dbraw/zinc/29/69/93/935296993.db2.gz JAQVNCMZHRCPFO-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCc3c1cccc3F)C2 ZINC001330566342 935296996 /nfs/dbraw/zinc/29/69/96/935296996.db2.gz JAQVNCMZHRCPFO-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCc3c1cccc3F)C2 ZINC001330566342 935297002 /nfs/dbraw/zinc/29/70/02/935297002.db2.gz JAQVNCMZHRCPFO-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP COC1(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CCC1 ZINC001330603759 935302265 /nfs/dbraw/zinc/30/22/65/935302265.db2.gz VSJCCRCLJJAFPA-UHFFFAOYSA-N 2 1 290.451 3.186 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC001333560284 935546736 /nfs/dbraw/zinc/54/67/36/935546736.db2.gz SXRREQMUKOURSE-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC001333560284 935546737 /nfs/dbraw/zinc/54/67/37/935546737.db2.gz SXRREQMUKOURSE-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3Cc4ccccc4C3)C[C@@H]2C1 ZINC001333891040 936074120 /nfs/dbraw/zinc/07/41/20/936074120.db2.gz IPJPAYCFIBCIQJ-SLFFLAALSA-N 2 1 298.474 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(F)(F)F)C[C@H]1C ZINC001334871538 936119909 /nfs/dbraw/zinc/11/99/09/936119909.db2.gz BFFIQRYSJFLNIV-VXGBXAGGSA-N 2 1 266.351 3.134 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(F)(F)F)C[C@H]1C ZINC001334871538 936119910 /nfs/dbraw/zinc/11/99/10/936119910.db2.gz BFFIQRYSJFLNIV-VXGBXAGGSA-N 2 1 266.351 3.134 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(F)(F)F)C[C@H]1C ZINC001334871538 936119911 /nfs/dbraw/zinc/11/99/11/936119911.db2.gz BFFIQRYSJFLNIV-VXGBXAGGSA-N 2 1 266.351 3.134 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001335135630 936131056 /nfs/dbraw/zinc/13/10/56/936131056.db2.gz YYZRNPSEJOTXSB-QLFBSQMISA-N 2 1 252.446 3.085 20 0 CGADMP CCC1(C[NH2+]CC2([NH+](C)C)CCCCC2)CCOCC1 ZINC001473910590 937829345 /nfs/dbraw/zinc/82/93/45/937829345.db2.gz UIIMKLOSVQDILX-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP c1csc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC001474040305 937837294 /nfs/dbraw/zinc/83/72/94/937837294.db2.gz XRSWTVNPQGJELT-UHFFFAOYSA-N 2 1 264.438 3.245 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC001474509318 937863936 /nfs/dbraw/zinc/86/39/36/937863936.db2.gz RVPRXYCVVAQJLX-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC001474509318 937863938 /nfs/dbraw/zinc/86/39/38/937863938.db2.gz RVPRXYCVVAQJLX-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001474647860 937872748 /nfs/dbraw/zinc/87/27/48/937872748.db2.gz VQEJOGOBYSGKAK-GDBMZVCRSA-N 2 1 254.462 3.475 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001549039162 938154495 /nfs/dbraw/zinc/15/44/95/938154495.db2.gz RKZPRVMMNMYNCD-MANSERQUSA-N 2 1 284.447 3.112 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549087561 938154908 /nfs/dbraw/zinc/15/49/08/938154908.db2.gz RNYRXVBSQQBXBV-AEFFLSMTSA-N 2 1 288.435 3.035 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C(C)(C)[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC001550174398 938163931 /nfs/dbraw/zinc/16/39/31/938163931.db2.gz AJIFDAAVCGKMLO-INMHGKMJSA-N 2 1 272.436 3.253 20 0 CGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC001550348819 938166038 /nfs/dbraw/zinc/16/60/38/938166038.db2.gz HJUAEMNVYIIXON-RHSMWYFYSA-N 2 1 296.414 3.432 20 0 CGADMP CC(C)Oc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551400498 938181631 /nfs/dbraw/zinc/18/16/31/938181631.db2.gz AZBHENRVWFMMIT-OALUTQOASA-N 2 1 296.414 3.188 20 0 CGADMP CCO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552080818 938189963 /nfs/dbraw/zinc/18/99/63/938189963.db2.gz LGJFTUASMCHEAB-VSZNYVQBSA-N 2 1 288.435 3.027 20 0 CGADMP CC(C)(C)C[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001552210609 938190527 /nfs/dbraw/zinc/19/05/27/938190527.db2.gz BVRLBVZRRLDYEI-XIRDDKMYSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001552412554 938191856 /nfs/dbraw/zinc/19/18/56/938191856.db2.gz OQVQPYLJOVNYLK-DOTOQJQBSA-N 2 1 272.436 3.254 20 0 CGADMP CN(CCC[N@@H+](C)C[C@H]1CCCCC1(C)C)CC[NH+](C)C ZINC001559887166 938238281 /nfs/dbraw/zinc/23/82/81/938238281.db2.gz ZTDBPOAFOLIBIB-QGZVFWFLSA-N 2 1 297.531 3.018 20 0 CGADMP CCC[C@@H](C)CCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043516 938242521 /nfs/dbraw/zinc/24/25/21/938242521.db2.gz BKVKJOXJPOQZGI-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043516 938242522 /nfs/dbraw/zinc/24/25/22/938242522.db2.gz BKVKJOXJPOQZGI-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001560043516 938242523 /nfs/dbraw/zinc/24/25/23/938242523.db2.gz BKVKJOXJPOQZGI-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001560043516 938242524 /nfs/dbraw/zinc/24/25/24/938242524.db2.gz BKVKJOXJPOQZGI-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001560043955 938242595 /nfs/dbraw/zinc/24/25/95/938242595.db2.gz PHYYPHKDVULEDL-GVDBMIGSSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001560100191 938243867 /nfs/dbraw/zinc/24/38/67/938243867.db2.gz GOFYTDCSJQIPRZ-BJWYYQGGSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001560155157 938245144 /nfs/dbraw/zinc/24/51/44/938245144.db2.gz CPTIAUYFJVIPOO-QGZVFWFLSA-N 2 1 295.430 3.409 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC2(CCC2)CC1 ZINC001560274355 938250759 /nfs/dbraw/zinc/25/07/59/938250759.db2.gz IWQGEUSPRVCOON-UHFFFAOYSA-N 2 1 261.413 3.284 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C/C=C\c1c(C)cc(C)cc1C ZINC001560299060 938251783 /nfs/dbraw/zinc/25/17/83/938251783.db2.gz GHCSPSHNLSQVSU-WAYWQWQTSA-N 2 1 283.419 3.420 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C(C)C)CC2)C[C@H]1C ZINC001560636705 938267537 /nfs/dbraw/zinc/26/75/37/938267537.db2.gz LQAUEROUZSQYOS-HUUCEWRRSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C(C)C)CC2)C[C@H]1C ZINC001560636705 938267538 /nfs/dbraw/zinc/26/75/38/938267538.db2.gz LQAUEROUZSQYOS-HUUCEWRRSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C(C)C)CC2)C[C@H]1C ZINC001560636705 938267540 /nfs/dbraw/zinc/26/75/40/938267540.db2.gz LQAUEROUZSQYOS-HUUCEWRRSA-N 2 1 252.446 3.227 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C(F)F)[C@H](C)C1 ZINC001560637442 938267595 /nfs/dbraw/zinc/26/75/95/938267595.db2.gz CQUQJUIYVJUKFK-OCCSQVGLSA-N 2 1 285.382 3.045 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C(F)F)[C@H](C)C1 ZINC001560637442 938267596 /nfs/dbraw/zinc/26/75/96/938267596.db2.gz CQUQJUIYVJUKFK-OCCSQVGLSA-N 2 1 285.382 3.045 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C(F)F)[C@H](C)C1 ZINC001560637442 938267598 /nfs/dbraw/zinc/26/75/98/938267598.db2.gz CQUQJUIYVJUKFK-OCCSQVGLSA-N 2 1 285.382 3.045 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C(F)F)[C@H](C)C1 ZINC001560637442 938267600 /nfs/dbraw/zinc/26/76/00/938267600.db2.gz CQUQJUIYVJUKFK-OCCSQVGLSA-N 2 1 285.382 3.045 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2CC(C)C)CC1 ZINC001560674397 938269024 /nfs/dbraw/zinc/26/90/24/938269024.db2.gz ZGXDUTWWUDIHER-INIZCTEOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCc2ccccc2C1 ZINC001560811742 938277072 /nfs/dbraw/zinc/27/70/72/938277072.db2.gz VXFHXTPOSABUKQ-MRXNPFEDSA-N 2 1 274.452 3.065 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1ccc(C)cc1 ZINC001560811876 938277233 /nfs/dbraw/zinc/27/72/33/938277233.db2.gz AFOWCBSXJAFESB-UHFFFAOYSA-N 2 1 262.441 3.201 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)CC1 ZINC001560861300 938280411 /nfs/dbraw/zinc/28/04/11/938280411.db2.gz KFQYGTVYSMHQRP-OAHLLOKOSA-N 2 1 288.435 3.001 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1(C)C ZINC001560866363 938280793 /nfs/dbraw/zinc/28/07/93/938280793.db2.gz DKPFPJRTEMUXIJ-ARFHVFGLSA-N 2 1 284.488 3.289 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1(C)C ZINC001560866363 938280795 /nfs/dbraw/zinc/28/07/95/938280795.db2.gz DKPFPJRTEMUXIJ-ARFHVFGLSA-N 2 1 284.488 3.289 20 0 CGADMP c1ccc2c(c1)CC[C@H]2C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001560951118 938286020 /nfs/dbraw/zinc/28/60/20/938286020.db2.gz YIAWGUFZUZBXLH-MJGOQNOKSA-N 2 1 298.474 3.428 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2cccc(OC)c2)CC1 ZINC001258775334 960428615 /nfs/dbraw/zinc/42/86/15/960428615.db2.gz KVHMKBUPEHCROP-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001258774799 960428845 /nfs/dbraw/zinc/42/88/45/960428845.db2.gz ZJAMRMVLCTUAIB-KRWDZBQOSA-N 2 1 273.424 3.093 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001258774799 960428854 /nfs/dbraw/zinc/42/88/54/960428854.db2.gz ZJAMRMVLCTUAIB-KRWDZBQOSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001576809337 960474221 /nfs/dbraw/zinc/47/42/21/960474221.db2.gz UDGWQPDQAPJBMY-ZJUUUORDSA-N 2 1 292.370 3.184 20 0 CGADMP CCC(CC)(C[NH3+])C[N@@H+](C)CCOc1ccccc1C ZINC001577051477 960474251 /nfs/dbraw/zinc/47/42/51/960474251.db2.gz PTFPNXFPCZFTLV-UHFFFAOYSA-N 2 1 278.440 3.071 20 0 CGADMP [NH3+]C[C@]12C[N@@H+](CCC3CCCCC3)C[C@H]1CCCC2 ZINC001580256101 960486538 /nfs/dbraw/zinc/48/65/38/960486538.db2.gz RCBDDQYNZOZHFJ-IAGOWNOFSA-N 2 1 264.457 3.408 20 0 CGADMP CC(C)(C)c1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC001575276995 962356796 /nfs/dbraw/zinc/35/67/96/962356796.db2.gz FAEREESOTSMXKR-OAHLLOKOSA-N 2 1 286.463 3.342 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(C2CCC2)CC1 ZINC001575544169 962387431 /nfs/dbraw/zinc/38/74/31/962387431.db2.gz GFZPNOXUMMQZLW-GPANFISMSA-N 2 1 252.446 3.308 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC001575656480 962407364 /nfs/dbraw/zinc/40/73/64/962407364.db2.gz ZARFOYXKKKSQJP-RHSMWYFYSA-N 2 1 260.425 3.054 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC001576435226 962460493 /nfs/dbraw/zinc/46/04/93/962460493.db2.gz SQYCHPNWEIONHF-CABCVRRESA-N 2 1 252.446 3.406 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC001576555976 962463492 /nfs/dbraw/zinc/46/34/92/962463492.db2.gz MBVMBMBSYPGSPM-IMJJTQAJSA-N 2 1 250.430 3.086 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001576806263 962494411 /nfs/dbraw/zinc/49/44/11/962494411.db2.gz CRVSFCILCMQGBH-HIFRSBDPSA-N 2 1 280.843 3.189 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2c(C)cccc2Cl)CC[C@@H]1[NH3+] ZINC001577279520 962524032 /nfs/dbraw/zinc/52/40/32/962524032.db2.gz JTFHUOWYLFLSRE-DOMZBBRYSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2c(C)cccc2Cl)CC[C@@H]1[NH3+] ZINC001577279520 962524046 /nfs/dbraw/zinc/52/40/46/962524046.db2.gz JTFHUOWYLFLSRE-DOMZBBRYSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](CCC2C[NH2+]C2)CC[C@H]1c1ccccc1 ZINC001577279681 962525726 /nfs/dbraw/zinc/52/57/26/962525726.db2.gz NSXSKRKTJMGKMM-FUHWJXTLSA-N 2 1 272.436 3.112 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001577374783 962536515 /nfs/dbraw/zinc/53/65/15/962536515.db2.gz GCPHFHUSIDBHHC-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)CC1CCCCC1 ZINC001578659438 962594361 /nfs/dbraw/zinc/59/43/61/962594361.db2.gz ZOKUGUYLJGQLAV-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)CC1CCCCC1 ZINC001578659438 962594378 /nfs/dbraw/zinc/59/43/78/962594378.db2.gz ZOKUGUYLJGQLAV-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2cccc(CC3CCC3)c2)CC1 ZINC001578608793 962596128 /nfs/dbraw/zinc/59/61/28/962596128.db2.gz KYYLUBCQZUXQOX-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C2(C[NH3+])CCCCC2)c1 ZINC001579605732 962647053 /nfs/dbraw/zinc/64/70/53/962647053.db2.gz XQCOIKAKJYLKCL-UHFFFAOYSA-N 2 1 266.816 3.400 20 0 CGADMP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001579724143 962660970 /nfs/dbraw/zinc/66/09/70/962660970.db2.gz YERGPLVNPAGCJH-OCCSQVGLSA-N 2 1 298.377 3.013 20 0 CGADMP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001579724143 962660974 /nfs/dbraw/zinc/66/09/74/962660974.db2.gz YERGPLVNPAGCJH-OCCSQVGLSA-N 2 1 298.377 3.013 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001579755256 962669294 /nfs/dbraw/zinc/66/92/94/962669294.db2.gz RPQRYJMKJWGYFA-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP Clc1cc(Cl)cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC001579938070 962680972 /nfs/dbraw/zinc/68/09/72/962680972.db2.gz NDUPTKMAZCVWNO-HZSPNIEDSA-N 2 1 285.218 3.018 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CC2CCC2)C1)C1CCCC1 ZINC001580126698 962695759 /nfs/dbraw/zinc/69/57/59/962695759.db2.gz HYBWIFIKYLGJRA-RDJZCZTQSA-N 2 1 264.457 3.406 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001580157047 962700951 /nfs/dbraw/zinc/70/09/51/962700951.db2.gz DDRGIPMVJWEWMZ-OWYHZJEWSA-N 2 1 284.447 3.384 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001580293025 962702827 /nfs/dbraw/zinc/70/28/27/962702827.db2.gz KHHAYASJHNIWEB-KRWDZBQOSA-N 2 1 290.451 3.308 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)oc1C ZINC000337390010 214049149 /nfs/dbraw/zinc/04/91/49/214049149.db2.gz KESSDUZARWDBLD-TZMCWYRMSA-N 2 1 264.413 3.279 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC12CCC2)Cc1ccccc1 ZINC000337392049 214049339 /nfs/dbraw/zinc/04/93/39/214049339.db2.gz LMHIZIHLTUFWHL-QGZVFWFLSA-N 2 1 272.436 3.431 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261531 349484467 /nfs/dbraw/zinc/48/44/67/349484467.db2.gz TYZSGHOECQLINT-WFASDCNBSA-N 2 1 281.831 3.040 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1Cl ZINC000124681058 187149107 /nfs/dbraw/zinc/14/91/07/187149107.db2.gz XHGNQYOSKVXBFJ-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1Cl ZINC000124681058 187149108 /nfs/dbraw/zinc/14/91/08/187149108.db2.gz XHGNQYOSKVXBFJ-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000337524696 214138833 /nfs/dbraw/zinc/13/88/33/214138833.db2.gz RJPFCGVNZCGYQG-BZSNNMDCSA-N 2 1 296.499 3.436 20 0 CGADMP CC/C=C/C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000294962679 199272952 /nfs/dbraw/zinc/27/29/52/199272952.db2.gz ILJLURZHODRGBI-ONEGZZNKSA-N 2 1 290.426 3.388 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cscc1Cl)C1CC1 ZINC000651599762 398257704 /nfs/dbraw/zinc/25/77/04/398257704.db2.gz KXIXURXYPMWCHD-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP C[N@@H+](Cc1cccc2c1CCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000651805766 398290094 /nfs/dbraw/zinc/29/00/94/398290094.db2.gz ASQTVQKSURHETI-JWTNVVGKSA-N 2 1 284.447 3.232 20 0 CGADMP C[NH+](Cc1cccc2c1CCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000651805766 398290097 /nfs/dbraw/zinc/29/00/97/398290097.db2.gz ASQTVQKSURHETI-JWTNVVGKSA-N 2 1 284.447 3.232 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337993730 214349181 /nfs/dbraw/zinc/34/91/81/214349181.db2.gz SWHLMHXWLNOIMN-QZTJIDSGSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@H]2C2CCC2)C[C@H](C)O1 ZINC000337996590 214351108 /nfs/dbraw/zinc/35/11/08/214351108.db2.gz KQESNHVQOPUXME-CIRFHOKZSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@@H+](CCC[NH2+]Cc1ccn(C)c1)C1CCCCC1 ZINC000651910515 398305047 /nfs/dbraw/zinc/30/50/47/398305047.db2.gz WRPQBYIARPBSNZ-UHFFFAOYSA-N 2 1 277.456 3.159 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000338023497 214365978 /nfs/dbraw/zinc/36/59/78/214365978.db2.gz SAKLJSYSGDJEKZ-INIZCTEOSA-N 2 1 257.381 3.323 20 0 CGADMP Cc1ccccc1O[C@@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000125717645 187197521 /nfs/dbraw/zinc/19/75/21/187197521.db2.gz AOMKSEAUDMVMCK-LUKYLMHMSA-N 2 1 290.451 3.081 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423477315 529568855 /nfs/dbraw/zinc/56/88/55/529568855.db2.gz SZFATZQUGLOATA-ZYHUDNBSSA-N 2 1 290.329 3.016 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423478484 529569397 /nfs/dbraw/zinc/56/93/97/529569397.db2.gz UQRWXVFYBCBKHE-BXKDBHETSA-N 2 1 260.303 3.093 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)[C@@H]1C[C@@H]1C ZINC000414112448 529586114 /nfs/dbraw/zinc/58/61/14/529586114.db2.gz JUZJNBDXJFHFOH-UAGQMJEPSA-N 2 1 287.451 3.383 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000449104682 529596436 /nfs/dbraw/zinc/59/64/36/529596436.db2.gz WLXPKCAKYKPOAL-UXLLHSPISA-N 2 1 282.472 3.044 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000272383156 282209348 /nfs/dbraw/zinc/20/93/48/282209348.db2.gz HYPAUOQVUWSANG-GUYCJALGSA-N 2 1 269.392 3.023 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOC2CCCCC2)CC1(C)C ZINC000623343334 349783274 /nfs/dbraw/zinc/78/32/74/349783274.db2.gz MXQICVZTVJETSL-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623372282 349792413 /nfs/dbraw/zinc/79/24/13/349792413.db2.gz NBCYWMUQCGLTKT-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623372282 349792410 /nfs/dbraw/zinc/79/24/10/349792410.db2.gz NBCYWMUQCGLTKT-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP CCc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000364721608 529639147 /nfs/dbraw/zinc/63/91/47/529639147.db2.gz LAMXLKGBUQVNCQ-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP CCc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000364721608 529639152 /nfs/dbraw/zinc/63/91/52/529639152.db2.gz LAMXLKGBUQVNCQ-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371579 349792597 /nfs/dbraw/zinc/79/25/97/349792597.db2.gz JXNBNHFOXDJAKM-UKRRQHHQSA-N 2 1 294.414 3.055 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1F ZINC000423373813 529659457 /nfs/dbraw/zinc/65/94/57/529659457.db2.gz JOPAIVARVBMZBL-HCKVZZMMSA-N 2 1 268.351 3.146 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423324938 529664470 /nfs/dbraw/zinc/66/44/70/529664470.db2.gz LFUBJFKEUPCCPF-PELKAZGASA-N 2 1 261.196 3.381 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC12CCCC2 ZINC000189111789 282215830 /nfs/dbraw/zinc/21/58/30/282215830.db2.gz UWIWOBBMDCSZCM-HIFRSBDPSA-N 2 1 261.413 3.140 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623377985 349794215 /nfs/dbraw/zinc/79/42/15/349794215.db2.gz NZEDRXUFGVBOQG-KRWDZBQOSA-N 2 1 274.452 3.308 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623404255 349800002 /nfs/dbraw/zinc/80/00/02/349800002.db2.gz VPVOOZVMMSYPNB-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404255 349800006 /nfs/dbraw/zinc/80/00/06/349800006.db2.gz VPVOOZVMMSYPNB-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404255 349800009 /nfs/dbraw/zinc/80/00/09/349800009.db2.gz VPVOOZVMMSYPNB-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CC1(C)C ZINC000623417701 349803569 /nfs/dbraw/zinc/80/35/69/349803569.db2.gz LLJZLQSPQJKQKD-KRWDZBQOSA-N 3 1 295.515 3.105 20 0 CGADMP CN1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CC1(C)C ZINC000623417701 349803575 /nfs/dbraw/zinc/80/35/75/349803575.db2.gz LLJZLQSPQJKQKD-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000352972865 282247386 /nfs/dbraw/zinc/24/73/86/282247386.db2.gz ZMCUZIOEDCJRPD-BDXSIMOUSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623428235 349805543 /nfs/dbraw/zinc/80/55/43/349805543.db2.gz CYROLQFXWVVTIL-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccsc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000126821463 187264809 /nfs/dbraw/zinc/26/48/09/187264809.db2.gz FJGZVASHGJIHGC-GASCZTMLSA-N 2 1 296.480 3.036 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459476467 534945330 /nfs/dbraw/zinc/94/53/30/534945330.db2.gz QZNDZSSKHWXPAS-NFOMZHRRSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)CC1(C)C ZINC000623514618 349824934 /nfs/dbraw/zinc/82/49/34/349824934.db2.gz VIZVLCBBRGXGLM-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623516355 349825039 /nfs/dbraw/zinc/82/50/39/349825039.db2.gz ONQAHAVMOIQEGH-IIAWOOMASA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CSc3ccccc32)CC1(C)C ZINC000623534669 349828394 /nfs/dbraw/zinc/82/83/94/349828394.db2.gz ZXUMVQJMRGNXLQ-ZIAGYGMSSA-N 2 1 290.476 3.338 20 0 CGADMP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623564923 349836716 /nfs/dbraw/zinc/83/67/16/349836716.db2.gz WYNJQUSBRMOGJG-JLJPHGGASA-N 2 1 272.436 3.177 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000623657460 349859788 /nfs/dbraw/zinc/85/97/88/349859788.db2.gz RCZQYYXXGXHXQA-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP Fc1ccc(/C=C/CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728276 349872313 /nfs/dbraw/zinc/87/23/13/349872313.db2.gz GDUJHHCNMAMUJZ-OAJJDEHYSA-N 2 1 288.410 3.445 20 0 CGADMP Fc1ccc(/C=C/CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728276 349872316 /nfs/dbraw/zinc/87/23/16/349872316.db2.gz GDUJHHCNMAMUJZ-OAJJDEHYSA-N 2 1 288.410 3.445 20 0 CGADMP c1ccc(CSCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592424413 346986329 /nfs/dbraw/zinc/98/63/29/346986329.db2.gz QAIUKZFWWNCIAJ-UHFFFAOYSA-N 2 1 290.476 3.136 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000420400473 529971181 /nfs/dbraw/zinc/97/11/81/529971181.db2.gz INRZWRAMPGDFCK-SFHVURJKSA-N 2 1 286.394 3.309 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423250551 529979110 /nfs/dbraw/zinc/97/91/10/529979110.db2.gz UKRIASJRQIWFCK-HIFRSBDPSA-N 2 1 266.816 3.175 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423279955 529985565 /nfs/dbraw/zinc/98/55/65/529985565.db2.gz TVAVRGPULNMOCJ-ZJUUUORDSA-N 2 1 275.223 3.500 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000423269151 529985786 /nfs/dbraw/zinc/98/57/86/529985786.db2.gz GUAYFRLHGLBADK-OLZOCXBDSA-N 2 1 260.381 3.247 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423278466 529986249 /nfs/dbraw/zinc/98/62/49/529986249.db2.gz QYPWZPOQJSUDME-HUUCEWRRSA-N 2 1 299.418 3.380 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000414200671 530060955 /nfs/dbraw/zinc/06/09/55/530060955.db2.gz XOEPEVVFANVKMY-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+](C)Cc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623930727 349919822 /nfs/dbraw/zinc/91/98/22/349919822.db2.gz YBJQWWKTLGVAIJ-INIZCTEOSA-N 2 1 275.440 3.033 20 0 CGADMP C[N@@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000005938126 344863822 /nfs/dbraw/zinc/86/38/22/344863822.db2.gz SPQVFSSJCFGUNF-UHFFFAOYSA-N 2 1 275.783 3.030 20 0 CGADMP C[N@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000005938126 344863825 /nfs/dbraw/zinc/86/38/25/344863825.db2.gz SPQVFSSJCFGUNF-UHFFFAOYSA-N 2 1 275.783 3.030 20 0 CGADMP C[C@H]1CCC[C@@](C[NH2+]C(C2CC2)C2CC2)([NH+](C)C)C1 ZINC000040668357 344964690 /nfs/dbraw/zinc/96/46/90/344964690.db2.gz ZHTLLEHTASYBRS-SUMWQHHRSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000037649738 344951740 /nfs/dbraw/zinc/95/17/40/344951740.db2.gz LRMXRSOXBWSMGZ-CQSZACIVSA-N 2 1 281.403 3.439 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000051951975 345094114 /nfs/dbraw/zinc/09/41/14/345094114.db2.gz IHAGYEUVLQEVQE-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188424 345244287 /nfs/dbraw/zinc/24/42/87/345244287.db2.gz MHXJETCRVBJQIU-UONOGXRCSA-N 2 1 264.438 3.163 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188424 345244290 /nfs/dbraw/zinc/24/42/90/345244290.db2.gz MHXJETCRVBJQIU-UONOGXRCSA-N 2 1 264.438 3.163 20 0 CGADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000072727825 345416825 /nfs/dbraw/zinc/41/68/25/345416825.db2.gz PPXBFMWSYFWPKI-UHFFFAOYSA-N 2 1 278.783 3.284 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCOc2cc(C)cc(C)c2)CC1 ZINC000077248955 345564882 /nfs/dbraw/zinc/56/48/82/345564882.db2.gz JTDGQTXXLRVXCQ-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCOc2cc(C)cc(C)c2)CC1 ZINC000077248955 345564884 /nfs/dbraw/zinc/56/48/84/345564884.db2.gz JTDGQTXXLRVXCQ-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP CC[C@](C)([NH2+]CCCn1cc[nH+]c1C)c1nc(C)cs1 ZINC000127445826 187307148 /nfs/dbraw/zinc/30/71/48/187307148.db2.gz YXBDKCQJYPLHSO-HNNXBMFYSA-N 2 1 292.452 3.262 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000086907460 345751457 /nfs/dbraw/zinc/75/14/57/345751457.db2.gz MSDHUHLVUSFUKH-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c2cc(F)ccc2[nH+]1 ZINC000091482682 345816451 /nfs/dbraw/zinc/81/64/51/345816451.db2.gz NSYQDCKPXMQDAB-ZDUSSCGKSA-N 2 1 287.382 3.436 20 0 CGADMP c1c2ccccc2oc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090076538 345780910 /nfs/dbraw/zinc/78/09/10/345780910.db2.gz XFIUVBLHCMKWSO-HZPDHXFCSA-N 2 1 284.403 3.192 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090106331 345783488 /nfs/dbraw/zinc/78/34/88/345783488.db2.gz DPVHSIZKNABHCK-XLTGGDBASA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@@H+]1C ZINC000129967006 346053609 /nfs/dbraw/zinc/05/36/09/346053609.db2.gz NLCWCXLGIISXIJ-ZDEQEGDKSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@H+]1C ZINC000129967006 346053610 /nfs/dbraw/zinc/05/36/10/346053610.db2.gz NLCWCXLGIISXIJ-ZDEQEGDKSA-N 2 1 278.362 3.180 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccn2CCC(C)C)C1 ZINC000161764407 346176499 /nfs/dbraw/zinc/17/64/99/346176499.db2.gz AEQSNMMPQVUPFK-QGZVFWFLSA-N 2 1 291.483 3.356 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000251722894 346389375 /nfs/dbraw/zinc/38/93/75/346389375.db2.gz KBBKJRIZVKSTGR-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000252217284 346390683 /nfs/dbraw/zinc/39/06/83/346390683.db2.gz YARNCZLORWOIST-FPCVCCKLSA-N 2 1 252.446 3.131 20 0 CGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000314711917 346481869 /nfs/dbraw/zinc/48/18/69/346481869.db2.gz MTBVUSOIOJVAAB-UHFFFAOYSA-N 2 1 297.446 3.307 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339071837 346501070 /nfs/dbraw/zinc/50/10/70/346501070.db2.gz SGBBJCCPAGPJBB-YHUYYLMFSA-N 2 1 282.497 3.267 20 0 CGADMP CC(C)CSCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595503710 347312205 /nfs/dbraw/zinc/31/22/05/347312205.db2.gz ARAKBSWHRPHJHK-INIZCTEOSA-N 2 1 284.513 3.183 20 0 CGADMP CC(C)CSCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595503710 347312209 /nfs/dbraw/zinc/31/22/09/347312209.db2.gz ARAKBSWHRPHJHK-INIZCTEOSA-N 2 1 284.513 3.183 20 0 CGADMP CSCC1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000598981173 347703221 /nfs/dbraw/zinc/70/32/21/347703221.db2.gz TVGCJRCPXGGWEU-NRXISQOPSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000624120265 349977266 /nfs/dbraw/zinc/97/72/66/349977266.db2.gz VASCUYRSGASIRA-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000624120265 349977271 /nfs/dbraw/zinc/97/72/71/349977271.db2.gz VASCUYRSGASIRA-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000351866373 219231621 /nfs/dbraw/zinc/23/16/21/219231621.db2.gz SFLBSCYTSACWKV-GJZGRUSLSA-N 2 1 297.402 3.043 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120805 349979075 /nfs/dbraw/zinc/97/90/75/349979075.db2.gz HHBKXCWQPOJCBZ-PBHICJAKSA-N 2 1 288.435 3.004 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121683 349979674 /nfs/dbraw/zinc/97/96/74/349979674.db2.gz BBGAXYDRHDINCL-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121684 349980356 /nfs/dbraw/zinc/98/03/56/349980356.db2.gz BBGAXYDRHDINCL-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000624122466 349982078 /nfs/dbraw/zinc/98/20/78/349982078.db2.gz RTZYIERQEHXFPE-QQFBHYJXSA-N 2 1 290.426 3.393 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCCCC1 ZINC000624123400 349983251 /nfs/dbraw/zinc/98/32/51/349983251.db2.gz LESDYAQXJDNZLA-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000608061546 348280479 /nfs/dbraw/zinc/28/04/79/348280479.db2.gz JZJHYEHURXWCSJ-UCGSKFKCSA-N 2 1 258.409 3.162 20 0 CGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358192016 233077228 /nfs/dbraw/zinc/07/72/28/233077228.db2.gz PQXIUVFQCAOFFP-DOTOQJQBSA-N 2 1 290.451 3.054 20 0 CGADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358192016 233077230 /nfs/dbraw/zinc/07/72/30/233077230.db2.gz PQXIUVFQCAOFFP-DOTOQJQBSA-N 2 1 290.451 3.054 20 0 CGADMP c1csc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359197137 233278840 /nfs/dbraw/zinc/27/88/40/233278840.db2.gz AOZANGALESUIFN-AWEZNQCLSA-N 2 1 264.438 3.275 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000626061774 350254908 /nfs/dbraw/zinc/25/49/08/350254908.db2.gz UTGHULUIUSVAFI-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000628173674 350422271 /nfs/dbraw/zinc/42/22/71/350422271.db2.gz GKTVYWWFHFPAKJ-BZUAXINKSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628185356 350430075 /nfs/dbraw/zinc/43/00/75/350430075.db2.gz VUMQPPIFTZJVQC-MRXNPFEDSA-N 2 1 285.435 3.332 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628229737 350451256 /nfs/dbraw/zinc/45/12/56/350451256.db2.gz GUOCFZSYPZNLQU-HZPDHXFCSA-N 2 1 284.513 3.230 20 0 CGADMP CN(CCC[N@@H+](C)C[C@]1(C)CCCS1)Cc1ccco1 ZINC000628275748 350474151 /nfs/dbraw/zinc/47/41/51/350474151.db2.gz BFSFFWAEGMKNJP-INIZCTEOSA-N 2 1 296.480 3.319 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629536325 350705788 /nfs/dbraw/zinc/70/57/88/350705788.db2.gz ISTIEOVNNBLHLB-GOSISDBHSA-N 2 1 287.451 3.089 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629536325 350705791 /nfs/dbraw/zinc/70/57/91/350705791.db2.gz ISTIEOVNNBLHLB-GOSISDBHSA-N 2 1 287.451 3.089 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2c1 ZINC000629540487 350707515 /nfs/dbraw/zinc/70/75/15/350707515.db2.gz PNGZIJSUAQVZJI-VKJFTORMSA-N 2 1 297.446 3.348 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)CC3 ZINC000629542784 350708595 /nfs/dbraw/zinc/70/85/95/350708595.db2.gz LPZWPJMDPJCNNL-RRFJBIMHSA-N 2 1 297.446 3.064 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556739 350712900 /nfs/dbraw/zinc/71/29/00/350712900.db2.gz XIPBXPLQSTWCBO-RRFJBIMHSA-N 2 1 264.800 3.187 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2(c3c(F)cccc3F)CCC2)C1 ZINC000629555670 350713058 /nfs/dbraw/zinc/71/30/58/350713058.db2.gz AKZUKTTTYCEYPX-RYUDHWBXSA-N 2 1 280.362 3.204 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629564897 350713708 /nfs/dbraw/zinc/71/37/08/350713708.db2.gz VPUVZZFYBGMCAB-KBPBESRZSA-N 2 1 292.389 3.416 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629390072 350687792 /nfs/dbraw/zinc/68/77/92/350687792.db2.gz INZIAELTFOYKHZ-YESZJQIVSA-N 2 1 260.425 3.046 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408423 350688921 /nfs/dbraw/zinc/68/89/21/350688921.db2.gz VCIVOPHAYLBIBT-JFGNBEQYSA-N 2 1 272.845 3.063 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC[C@H]1CCc3ccccc31)C2 ZINC000629595339 350716896 /nfs/dbraw/zinc/71/68/96/350716896.db2.gz QDRDQLOKHAFDKE-QRQLOZEOSA-N 2 1 284.447 3.038 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000629595421 350716905 /nfs/dbraw/zinc/71/69/05/350716905.db2.gz OYGNQCOOLLXKKH-TWTBHFKPSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC000629662098 350732891 /nfs/dbraw/zinc/73/28/91/350732891.db2.gz CBPWKWDYDUWDQV-XYPHTWIQSA-N 2 1 292.854 3.375 20 0 CGADMP C[C@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC000629662098 350732893 /nfs/dbraw/zinc/73/28/93/350732893.db2.gz CBPWKWDYDUWDQV-XYPHTWIQSA-N 2 1 292.854 3.375 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2csc(C)c2C)C1 ZINC000631049212 350936618 /nfs/dbraw/zinc/93/66/18/350936618.db2.gz FTEYUTZNAOAENJ-CQSZACIVSA-N 2 1 266.454 3.186 20 0 CGADMP CC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631662932 351109939 /nfs/dbraw/zinc/10/99/39/351109939.db2.gz GVLQTEAOZXFUMV-CQDXFGNVSA-N 2 1 272.436 3.143 20 0 CGADMP CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668536 351113757 /nfs/dbraw/zinc/11/37/57/351113757.db2.gz YPKGQJYLYKJEOK-YQQAZPJKSA-N 2 1 260.425 3.143 20 0 CGADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(OC)c1OC ZINC000631575486 351073204 /nfs/dbraw/zinc/07/32/04/351073204.db2.gz GEFYRKMFJBVANI-UKRRQHHQSA-N 2 1 294.439 3.085 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(C)ccn1 ZINC000631583338 351077793 /nfs/dbraw/zinc/07/77/93/351077793.db2.gz WRYRTNHVICOFKZ-HOTGVXAUSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631583338 351077797 /nfs/dbraw/zinc/07/77/97/351077797.db2.gz WRYRTNHVICOFKZ-HOTGVXAUSA-N 2 1 275.440 3.163 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC[N@@H+]1C ZINC000631739292 351133315 /nfs/dbraw/zinc/13/33/15/351133315.db2.gz LCRZJCHLISGOSE-IVSAIRAKSA-N 2 1 290.476 3.382 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC[N@H+]1C ZINC000631739292 351133316 /nfs/dbraw/zinc/13/33/16/351133316.db2.gz LCRZJCHLISGOSE-IVSAIRAKSA-N 2 1 290.476 3.382 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC[N@@H+]1C ZINC000631739293 351133406 /nfs/dbraw/zinc/13/34/06/351133406.db2.gz LCRZJCHLISGOSE-JKQORVJESA-N 2 1 290.476 3.382 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC[N@H+]1C ZINC000631739293 351133409 /nfs/dbraw/zinc/13/34/09/351133409.db2.gz LCRZJCHLISGOSE-JKQORVJESA-N 2 1 290.476 3.382 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)o1 ZINC000635004272 351622723 /nfs/dbraw/zinc/62/27/23/351622723.db2.gz HTHZNOHXBLRNMG-GDBMZVCRSA-N 2 1 272.392 3.199 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)oc1C ZINC000635010352 351628217 /nfs/dbraw/zinc/62/82/17/351628217.db2.gz JXJQLDTYOBTCNT-GXTWGEPZSA-N 2 1 264.413 3.325 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000122831589 187054213 /nfs/dbraw/zinc/05/42/13/187054213.db2.gz CIXJQDVFGCMCEG-SCDSUCTJSA-N 2 1 266.454 3.498 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000122831589 187054214 /nfs/dbraw/zinc/05/42/14/187054214.db2.gz CIXJQDVFGCMCEG-SCDSUCTJSA-N 2 1 266.454 3.498 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3cc(OC)ccc3c2)C1 ZINC000124145643 187123698 /nfs/dbraw/zinc/12/36/98/187123698.db2.gz FTJGWIIDPXAZBY-INIZCTEOSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccccc2F)CC[N@@H+]1C ZINC000123299766 187083769 /nfs/dbraw/zinc/08/37/69/187083769.db2.gz FJWCWPKSPFOASZ-KGLIPLIRSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccccc2F)CC[N@H+]1C ZINC000123299766 187083770 /nfs/dbraw/zinc/08/37/70/187083770.db2.gz FJWCWPKSPFOASZ-KGLIPLIRSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCSc2ccccc2F)CC[NH+]1C ZINC000123299766 187083771 /nfs/dbraw/zinc/08/37/71/187083771.db2.gz FJWCWPKSPFOASZ-KGLIPLIRSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCSc2ccccc2F)CC[NH+]1C ZINC000123299766 187083772 /nfs/dbraw/zinc/08/37/72/187083772.db2.gz FJWCWPKSPFOASZ-KGLIPLIRSA-N 2 1 296.455 3.332 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000123388061 187089077 /nfs/dbraw/zinc/08/90/77/187089077.db2.gz DGYMUJLHGRERCF-UHFFFAOYSA-N 2 1 297.446 3.088 20 0 CGADMP Cc1cc(C)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000366279616 234161034 /nfs/dbraw/zinc/16/10/34/234161034.db2.gz HLCKABJBYLRXDO-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000366623294 234179094 /nfs/dbraw/zinc/17/90/94/234179094.db2.gz FOCVEESBMHCGEP-VVMVDLBUSA-N 2 1 290.426 3.390 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)ccc1SC ZINC000151946166 187987942 /nfs/dbraw/zinc/98/79/42/187987942.db2.gz UDCLCWWISCCPCP-GFCCVEGCSA-N 2 1 282.453 3.019 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000154769874 188160670 /nfs/dbraw/zinc/16/06/70/188160670.db2.gz YHOJZMBCDODZTJ-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP c1cc2c(cccc2C[NH2+]C2CC([NH+]3CCCCC3)C2)[nH]1 ZINC000369542415 234384357 /nfs/dbraw/zinc/38/43/57/234384357.db2.gz SUUUQVDLBFDVHU-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP CC[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000156604461 188271913 /nfs/dbraw/zinc/27/19/13/188271913.db2.gz DBLDHIPJAUUUFE-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP CC[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000156604461 188271914 /nfs/dbraw/zinc/27/19/14/188271914.db2.gz DBLDHIPJAUUUFE-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP CC[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000156604461 188271915 /nfs/dbraw/zinc/27/19/15/188271915.db2.gz DBLDHIPJAUUUFE-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP CCOc1ccccc1[C@@H](CC)[NH2+]CCn1cc[nH+]c1C ZINC000271739165 191299745 /nfs/dbraw/zinc/29/97/45/191299745.db2.gz IFIUNGLEYWXGOB-MRXNPFEDSA-N 2 1 287.407 3.331 20 0 CGADMP CCc1ccc(C(C)(C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000271766781 191314005 /nfs/dbraw/zinc/31/40/05/191314005.db2.gz WTOHHLQWZZHMAT-UHFFFAOYSA-N 2 1 271.408 3.279 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000271815938 191343820 /nfs/dbraw/zinc/34/38/20/191343820.db2.gz MAYYBEGFIDBMDN-UHFFFAOYSA-N 2 1 290.794 3.438 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1Cl ZINC000271892636 191393087 /nfs/dbraw/zinc/39/30/87/191393087.db2.gz SKXKUKQZFDZTOS-NSHDSACASA-N 2 1 282.790 3.392 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000271854341 191369775 /nfs/dbraw/zinc/36/97/75/191369775.db2.gz JALHHPYZGHQXOJ-KRWDZBQOSA-N 2 1 258.409 3.298 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000414178064 235354255 /nfs/dbraw/zinc/35/42/55/235354255.db2.gz KCSXABYQKHSBAA-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000414179665 235355753 /nfs/dbraw/zinc/35/57/53/235355753.db2.gz LMEKLIRBMVCOET-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP Fc1ccc(CC2([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000414133180 235344759 /nfs/dbraw/zinc/34/47/59/235344759.db2.gz AUJOWHULXQYYHV-UHFFFAOYSA-N 2 1 288.410 3.117 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171655 235352869 /nfs/dbraw/zinc/35/28/69/235352869.db2.gz DJNMKZYZXIJIFG-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000293626141 198706625 /nfs/dbraw/zinc/70/66/25/198706625.db2.gz HGYQKIAVAFQCNG-ZDUSSCGKSA-N 2 1 269.392 3.420 20 0 CGADMP CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000273806979 192315906 /nfs/dbraw/zinc/31/59/06/192315906.db2.gz WFDCNIUPEGQYDC-DOTOQJQBSA-N 2 1 292.492 3.240 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000124375312 138374753 /nfs/dbraw/zinc/37/47/53/138374753.db2.gz SJUOJRNEAQCJCK-CABCVRRESA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000124375312 138374755 /nfs/dbraw/zinc/37/47/55/138374755.db2.gz SJUOJRNEAQCJCK-CABCVRRESA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccccc1F ZINC000125476379 138382844 /nfs/dbraw/zinc/38/28/44/138382844.db2.gz NHCHFEDACXOWLD-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccc1F ZINC000125476379 138382845 /nfs/dbraw/zinc/38/28/45/138382845.db2.gz NHCHFEDACXOWLD-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000125538815 138383182 /nfs/dbraw/zinc/38/31/82/138383182.db2.gz IOFWVBMXNLMJTG-UHFFFAOYSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000129113493 138396014 /nfs/dbraw/zinc/39/60/14/138396014.db2.gz SVMOYTNLMJEQOE-VBNZEHGJSA-N 2 1 262.372 3.103 20 0 CGADMP CCCC[C@@H](COC)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000479900758 535359042 /nfs/dbraw/zinc/35/90/42/535359042.db2.gz KXVVWERHAKJBID-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Cl)sc1Cl ZINC000423226112 236002602 /nfs/dbraw/zinc/00/26/02/236002602.db2.gz PMAQVJLQSZLYGY-NKWVEPMBSA-N 2 1 267.225 3.443 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423260876 236012745 /nfs/dbraw/zinc/01/27/45/236012745.db2.gz IOAUDFNXSOFREV-ZFWWWQNUSA-N 2 1 264.413 3.109 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423330314 236041055 /nfs/dbraw/zinc/04/10/55/236041055.db2.gz FTBDDBPTEYMLNC-WMLDXEAASA-N 2 1 290.455 3.039 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423331288 236041149 /nfs/dbraw/zinc/04/11/49/236041149.db2.gz QBPQQPZUEMOGLF-QWHCGFSZSA-N 2 1 273.424 3.161 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423333418 236042485 /nfs/dbraw/zinc/04/24/85/236042485.db2.gz PSIACNRMGXNVSY-XHDPSFHLSA-N 2 1 268.351 3.005 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000423385046 236058329 /nfs/dbraw/zinc/05/83/29/236058329.db2.gz LKCVDVNZYIKVKC-RYRKJORJSA-N 2 1 299.393 3.170 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423365167 236051394 /nfs/dbraw/zinc/05/13/94/236051394.db2.gz PGYITXGWPFHSMK-PQEBFOHHSA-N 2 1 287.451 3.004 20 0 CGADMP C[NH+]1CCC(CNc2cc[nH+]c3ccsc32)CC1 ZINC000192713806 138480464 /nfs/dbraw/zinc/48/04/64/138480464.db2.gz BQBHJJSPLOITQD-UHFFFAOYSA-N 2 1 261.394 3.050 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423373679 236053768 /nfs/dbraw/zinc/05/37/68/236053768.db2.gz JIJGENPSIAIIRJ-FRRDWIJNSA-N 2 1 298.377 3.388 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000423531470 236093099 /nfs/dbraw/zinc/09/30/99/236093099.db2.gz QKSSURRZOQKKCR-SJORKVTESA-N 2 1 258.409 3.171 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424364235 236156932 /nfs/dbraw/zinc/15/69/32/236156932.db2.gz DEDMUELNDAVUAA-ZIAGYGMSSA-N 2 1 286.341 3.373 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000336235374 213065974 /nfs/dbraw/zinc/06/59/74/213065974.db2.gz DFOVKMBMXUNIDT-GHMZBOCLSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000336235374 213065978 /nfs/dbraw/zinc/06/59/78/213065978.db2.gz DFOVKMBMXUNIDT-GHMZBOCLSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000278391451 291147587 /nfs/dbraw/zinc/14/75/87/291147587.db2.gz FXLUMGCYEWCWED-XOYOTBSWSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000278391451 291147591 /nfs/dbraw/zinc/14/75/91/291147591.db2.gz FXLUMGCYEWCWED-XOYOTBSWSA-N 2 1 272.436 3.395 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CC(C)C)CCCC2)CC1 ZINC000341582031 216020706 /nfs/dbraw/zinc/02/07/06/216020706.db2.gz BXCIFDWMXHPTLG-MRXNPFEDSA-N 2 1 296.499 3.434 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCc2cccc(Cl)c2)CC1 ZINC000298091901 200330995 /nfs/dbraw/zinc/33/09/95/200330995.db2.gz MTHNIQSQTBJUSP-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cccc(Cl)c2)CC1 ZINC000298091901 200330996 /nfs/dbraw/zinc/33/09/96/200330996.db2.gz MTHNIQSQTBJUSP-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423142662 296021263 /nfs/dbraw/zinc/02/12/63/296021263.db2.gz BAGVFLBEUHWXEC-UTLUCORTSA-N 2 1 258.768 3.256 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)[C@H]2CCCC[C@H]12 ZINC000182479729 189325773 /nfs/dbraw/zinc/32/57/73/189325773.db2.gz RHLWCCAHNBZBNF-UAGQMJEPSA-N 2 1 296.418 3.278 20 0 CGADMP Cc1nc(NCCCCC[NH+]2CCCCC2)c(C)c(C)[nH+]1 ZINC000301683537 201135763 /nfs/dbraw/zinc/13/57/63/201135763.db2.gz KOUBEDNTHQQHLW-UHFFFAOYSA-N 2 1 290.455 3.470 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1 ZINC000119658055 370696155 /nfs/dbraw/zinc/69/61/55/370696155.db2.gz ATIZDRUUABCADJ-CABCVRRESA-N 2 1 272.436 3.395 20 0 CGADMP COc1cc(F)cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000449282557 239290500 /nfs/dbraw/zinc/29/05/00/239290500.db2.gz HRKIEYXWYLTWQL-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000120109568 370738534 /nfs/dbraw/zinc/73/85/34/370738534.db2.gz WIFOQLGEZZPMGP-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CC[NH+]1CCC(Nc2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000120436002 370766734 /nfs/dbraw/zinc/76/67/34/370766734.db2.gz ZQJNFFACWKEYJC-UHFFFAOYSA-N 2 1 299.418 3.448 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]1(C)CC(C)C ZINC000451292679 240265337 /nfs/dbraw/zinc/26/53/37/240265337.db2.gz UNRSKNAAVWTOMV-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]1(C)CC(C)C ZINC000451292679 240265342 /nfs/dbraw/zinc/26/53/42/240265342.db2.gz UNRSKNAAVWTOMV-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP CSCC[C@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120610016 370785890 /nfs/dbraw/zinc/78/58/90/370785890.db2.gz CREFZMXKXLAIQD-ZDUSSCGKSA-N 2 1 269.458 3.045 20 0 CGADMP CSCC[C@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120610016 370785895 /nfs/dbraw/zinc/78/58/95/370785895.db2.gz CREFZMXKXLAIQD-ZDUSSCGKSA-N 2 1 269.458 3.045 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000275637434 193092783 /nfs/dbraw/zinc/09/27/83/193092783.db2.gz UTZVQIDEANNJSD-YOEHRIQHSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275709375 193109589 /nfs/dbraw/zinc/10/95/89/193109589.db2.gz YEVVHRXHNYOJNF-DOTOQJQBSA-N 2 1 283.419 3.056 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275709388 193109649 /nfs/dbraw/zinc/10/96/49/193109649.db2.gz YEVVHRXHNYOJNF-WBVHZDCISA-N 2 1 283.419 3.056 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccnc1Cl ZINC000121445937 370861116 /nfs/dbraw/zinc/86/11/16/370861116.db2.gz LMHIZEJYWFKEBE-VXGBXAGGSA-N 2 1 292.814 3.227 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1 ZINC000459418426 242101863 /nfs/dbraw/zinc/10/18/63/242101863.db2.gz VQZIOLOKKJGENN-UHFFFAOYSA-N 2 1 288.435 3.060 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000459381376 242095276 /nfs/dbraw/zinc/09/52/76/242095276.db2.gz UVJVBFCOZUTQKC-DKIMLUQUSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000459381376 242095279 /nfs/dbraw/zinc/09/52/79/242095279.db2.gz UVJVBFCOZUTQKC-DKIMLUQUSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000459381376 242095282 /nfs/dbraw/zinc/09/52/82/242095282.db2.gz UVJVBFCOZUTQKC-DKIMLUQUSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000459381376 242095284 /nfs/dbraw/zinc/09/52/84/242095284.db2.gz UVJVBFCOZUTQKC-DKIMLUQUSA-N 2 1 272.436 3.205 20 0 CGADMP CC(C)c1ncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459722885 242192180 /nfs/dbraw/zinc/19/21/80/242192180.db2.gz CFNJNTXJYSRESU-CYBMUJFWSA-N 2 1 281.469 3.088 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459725231 242193773 /nfs/dbraw/zinc/19/37/73/242193773.db2.gz BENMUPICCSMZRQ-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798398 242240515 /nfs/dbraw/zinc/24/05/15/242240515.db2.gz XOTPNQHNYKPGBA-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000459742377 242204616 /nfs/dbraw/zinc/20/46/16/242204616.db2.gz VYEQNGIKYJSUGQ-YCPHGPKFSA-N 2 1 276.424 3.225 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)[nH+]c2c1 ZINC000460947789 242287499 /nfs/dbraw/zinc/28/74/99/242287499.db2.gz IHGPBLLXGDCXSH-HUUCEWRRSA-N 2 1 283.419 3.168 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c2c1 ZINC000460947789 242287506 /nfs/dbraw/zinc/28/75/06/242287506.db2.gz IHGPBLLXGDCXSH-HUUCEWRRSA-N 2 1 283.419 3.168 20 0 CGADMP Cc1cc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000478282789 243073201 /nfs/dbraw/zinc/07/32/01/243073201.db2.gz QPDGSCPIKHQYGD-YJBOKZPZSA-N 2 1 281.403 3.059 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000480660664 243160151 /nfs/dbraw/zinc/16/01/51/243160151.db2.gz GLWRQMGFSJHGMP-WMLDXEAASA-N 2 1 260.425 3.240 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1(C)CC1 ZINC000480699597 243161650 /nfs/dbraw/zinc/16/16/50/243161650.db2.gz QDFNXLNCNXGXFD-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019912930 368782147 /nfs/dbraw/zinc/78/21/47/368782147.db2.gz GQJVWERTCQMYNO-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccsc1 ZINC000019912967 368782548 /nfs/dbraw/zinc/78/25/48/368782548.db2.gz OZHJAMXBXXHGSD-CYBMUJFWSA-N 2 1 252.427 3.102 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccsc1 ZINC000019912967 368782552 /nfs/dbraw/zinc/78/25/52/368782552.db2.gz OZHJAMXBXXHGSD-CYBMUJFWSA-N 2 1 252.427 3.102 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036997884 369049120 /nfs/dbraw/zinc/04/91/20/369049120.db2.gz HLTKQKREOFVBDE-RJCAOGMDSA-N 2 1 292.854 3.486 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000035012893 368989820 /nfs/dbraw/zinc/98/98/20/368989820.db2.gz GWXCAQJSHVTDON-QGZVFWFLSA-N 2 1 276.424 3.220 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000037141030 369067442 /nfs/dbraw/zinc/06/74/42/369067442.db2.gz BDXSDSAALRXVCA-KRWDZBQOSA-N 2 1 276.399 3.493 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037644629 369094571 /nfs/dbraw/zinc/09/45/71/369094571.db2.gz KVCFFHFJCREFSL-CXAGYDPISA-N 2 1 276.399 3.208 20 0 CGADMP C[C@@H]([NH2+]CCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000037713791 369100787 /nfs/dbraw/zinc/10/07/87/369100787.db2.gz WWYQVSILZRGOHN-SSDOTTSWSA-N 2 1 265.159 3.132 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000037770217 369107335 /nfs/dbraw/zinc/10/73/35/369107335.db2.gz JRHZGBCRZBPFHO-LNRIEFBSSA-N 2 1 258.409 3.271 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493917062 244254093 /nfs/dbraw/zinc/25/40/93/244254093.db2.gz OUJRPYQQFJMQFC-UHFFFAOYSA-N 2 1 290.451 3.054 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1F ZINC000494897007 244328090 /nfs/dbraw/zinc/32/80/90/244328090.db2.gz WYTXUJWUCNVXAF-MQIPJXDCSA-N 2 1 287.382 3.454 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000128988525 370970094 /nfs/dbraw/zinc/97/00/94/370970094.db2.gz XUDAELKEWDJOKT-BFYDXBDKSA-N 2 1 290.451 3.292 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000128988525 370970102 /nfs/dbraw/zinc/97/01/02/370970102.db2.gz XUDAELKEWDJOKT-BFYDXBDKSA-N 2 1 290.451 3.292 20 0 CGADMP C[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000129253278 370980889 /nfs/dbraw/zinc/98/08/89/370980889.db2.gz SQZBGZDWRMPATH-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccccc1F)C[NH+]1CCCC1 ZINC000062077935 369617303 /nfs/dbraw/zinc/61/73/03/369617303.db2.gz JGWFOOVJEJHCOX-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP COc1ccc(C)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163900 370030652 /nfs/dbraw/zinc/03/06/52/370030652.db2.gz ZKNOREZQDKDEHQ-ALOPSCKCSA-N 2 1 288.435 3.109 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC[N@@H+]1C ZINC000090721246 370067389 /nfs/dbraw/zinc/06/73/89/370067389.db2.gz PIHXUNABCXDRDM-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC[N@H+]1C ZINC000090721246 370067391 /nfs/dbraw/zinc/06/73/91/370067391.db2.gz PIHXUNABCXDRDM-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000093088904 370107937 /nfs/dbraw/zinc/10/79/37/370107937.db2.gz BCNQUTMWBRBZSV-UHFFFAOYSA-N 2 1 260.425 3.077 20 0 CGADMP C[N@H+](Cc1cnc(C2CCC2)s1)CC1CC[NH+](C)CC1 ZINC000093089284 370108915 /nfs/dbraw/zinc/10/89/15/370108915.db2.gz WNGMJBQJKQKFSE-UHFFFAOYSA-N 2 1 293.480 3.184 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000093753132 370156426 /nfs/dbraw/zinc/15/64/26/370156426.db2.gz YJHZPZGBIZVDCJ-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093753132 370156429 /nfs/dbraw/zinc/15/64/29/370156429.db2.gz YJHZPZGBIZVDCJ-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093753132 370156432 /nfs/dbraw/zinc/15/64/32/370156432.db2.gz YJHZPZGBIZVDCJ-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129720131 370997843 /nfs/dbraw/zinc/99/78/43/370997843.db2.gz VZJCGQFUQPMVAJ-KCYZZUKISA-N 2 1 292.492 3.486 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OC(F)F ZINC000129894308 371005978 /nfs/dbraw/zinc/00/59/78/371005978.db2.gz KELOHCAJXPWNAZ-AVGNSLFASA-N 2 1 298.377 3.421 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1OC(F)F ZINC000129894308 371005985 /nfs/dbraw/zinc/00/59/85/371005985.db2.gz KELOHCAJXPWNAZ-AVGNSLFASA-N 2 1 298.377 3.421 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000130175253 371016872 /nfs/dbraw/zinc/01/68/72/371016872.db2.gz KYSFGZUWAFGNOP-MJBXVCDLSA-N 2 1 264.438 3.416 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000133391311 371248050 /nfs/dbraw/zinc/24/80/50/371248050.db2.gz SUBAUBVKVDSMDM-AWEZNQCLSA-N 2 1 272.795 3.284 20 0 CGADMP CCC[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000337306444 376206029 /nfs/dbraw/zinc/20/60/29/376206029.db2.gz VJMYXPUXUQIUQQ-HNNXBMFYSA-N 2 1 275.440 3.418 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2F)C1 ZINC000151099991 371567493 /nfs/dbraw/zinc/56/74/93/371567493.db2.gz SKICAHHRWCIISP-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2F)C1 ZINC000151099991 371567497 /nfs/dbraw/zinc/56/74/97/371567497.db2.gz SKICAHHRWCIISP-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000151126920 371573876 /nfs/dbraw/zinc/57/38/76/371573876.db2.gz TVGPUNRAQREARS-UKRRQHHQSA-N 2 1 278.465 3.447 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000421828998 371651946 /nfs/dbraw/zinc/65/19/46/371651946.db2.gz GJIKFEIGHHOZKL-XUJVJEKNSA-N 2 1 298.833 3.482 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000421828998 371651954 /nfs/dbraw/zinc/65/19/54/371651954.db2.gz GJIKFEIGHHOZKL-XUJVJEKNSA-N 2 1 298.833 3.482 20 0 CGADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(C2CC2)c1 ZINC000422550208 371747984 /nfs/dbraw/zinc/74/79/84/371747984.db2.gz ANQNEMLKFAPRAY-GOSISDBHSA-N 2 1 270.420 3.140 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1 ZINC000422731323 371771652 /nfs/dbraw/zinc/77/16/52/371771652.db2.gz NMQBOTFEEMGAHO-CXAGYDPISA-N 2 1 288.822 3.388 20 0 CGADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1C ZINC000422741539 371780560 /nfs/dbraw/zinc/78/05/60/371780560.db2.gz OTCCGQDZMVVYBC-HOTGVXAUSA-N 2 1 271.408 3.063 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000422749805 371784895 /nfs/dbraw/zinc/78/48/95/371784895.db2.gz BAGVFLBEUHWXEC-AEJSXWLSSA-N 2 1 258.768 3.256 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1Cl ZINC000422753427 371785028 /nfs/dbraw/zinc/78/50/28/371785028.db2.gz IGTWLUBQKSSCNO-KYTZWMPUSA-N 2 1 282.790 3.413 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000337331215 214010963 /nfs/dbraw/zinc/01/09/63/214010963.db2.gz HKTDOXDAZSCFLF-UHFFFAOYSA-N 2 1 274.330 3.089 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000337331215 214010965 /nfs/dbraw/zinc/01/09/65/214010965.db2.gz HKTDOXDAZSCFLF-UHFFFAOYSA-N 2 1 274.330 3.089 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337333477 214013534 /nfs/dbraw/zinc/01/35/34/214013534.db2.gz JROMCJJQVQWDOA-WMZOPIPTSA-N 2 1 289.467 3.429 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337333477 214013536 /nfs/dbraw/zinc/01/35/36/214013536.db2.gz JROMCJJQVQWDOA-WMZOPIPTSA-N 2 1 289.467 3.429 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344044819 217025292 /nfs/dbraw/zinc/02/52/92/217025292.db2.gz XNDVJOOQQKCKOH-AWEZNQCLSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344044819 217025294 /nfs/dbraw/zinc/02/52/94/217025294.db2.gz XNDVJOOQQKCKOH-AWEZNQCLSA-N 2 1 263.429 3.340 20 0 CGADMP COCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422801428 371818845 /nfs/dbraw/zinc/81/88/45/371818845.db2.gz BXEWPQQZPJYLSB-ZWKOTPCHSA-N 2 1 282.387 3.067 20 0 CGADMP FC(F)(F)CCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000154120327 371819033 /nfs/dbraw/zinc/81/90/33/371819033.db2.gz BSKVYDARQFHQCW-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000154120327 371819042 /nfs/dbraw/zinc/81/90/42/371819042.db2.gz BSKVYDARQFHQCW-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000422804242 371820144 /nfs/dbraw/zinc/82/01/44/371820144.db2.gz DZCPCLSYNUGNLK-IAOVAPTHSA-N 2 1 258.409 3.176 20 0 CGADMP CCOc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422815377 371827534 /nfs/dbraw/zinc/82/75/34/371827534.db2.gz XOWOQINTNODGBF-PBHICJAKSA-N 2 1 290.451 3.370 20 0 CGADMP C[C@]1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCS1 ZINC000422876256 371850018 /nfs/dbraw/zinc/85/00/18/371850018.db2.gz QCZGIDGSUHUVAL-GVDBMIGSSA-N 2 1 290.476 3.355 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954201 371861743 /nfs/dbraw/zinc/86/17/43/371861743.db2.gz ICDUKEHSFBMILO-DOTOQJQBSA-N 2 1 290.451 3.171 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954201 371861750 /nfs/dbraw/zinc/86/17/50/371861750.db2.gz ICDUKEHSFBMILO-DOTOQJQBSA-N 2 1 290.451 3.171 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954201 371861754 /nfs/dbraw/zinc/86/17/54/371861754.db2.gz ICDUKEHSFBMILO-DOTOQJQBSA-N 2 1 290.451 3.171 20 0 CGADMP C[C@H]([NH2+]C(c1cccs1)c1cccs1)C1C[NH2+]C1 ZINC000422917547 371867720 /nfs/dbraw/zinc/86/77/20/371867720.db2.gz GGCOHKYBMPXKMQ-JTQLQIEISA-N 2 1 278.446 3.097 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422948496 371886182 /nfs/dbraw/zinc/88/61/82/371886182.db2.gz SAHDAXXBJMGFBH-KBPBESRZSA-N 2 1 284.350 3.038 20 0 CGADMP CC[N@@H+](CCCc1cnccc1C)CCc1nccs1 ZINC000289982582 371869037 /nfs/dbraw/zinc/86/90/37/371869037.db2.gz JVCDGUHBIWHPED-UHFFFAOYSA-N 2 1 289.448 3.344 20 0 CGADMP C[C@H]([NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)C1C[NH2+]C1 ZINC000422925771 371873307 /nfs/dbraw/zinc/87/33/07/371873307.db2.gz BROMZNUGHUOHIU-VIFPVBQESA-N 2 1 285.218 3.180 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422926396 371875540 /nfs/dbraw/zinc/87/55/40/371875540.db2.gz WVHMHKSAAGXNGY-QEJZJMRPSA-N 2 1 296.842 3.228 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC(C)(C)C ZINC000423057330 371937464 /nfs/dbraw/zinc/93/74/64/371937464.db2.gz HBGZHQLETMPOOZ-VQHPVUNQSA-N 2 1 296.499 3.196 20 0 CGADMP COC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000422958197 371891453 /nfs/dbraw/zinc/89/14/53/371891453.db2.gz XARUYDOICAPMJM-NJAFHUGGSA-N 2 1 290.451 3.275 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000290119298 371909247 /nfs/dbraw/zinc/90/92/47/371909247.db2.gz JGIPDIHXITYZGN-TYNCELHUSA-N 2 1 259.397 3.100 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000290119298 371909257 /nfs/dbraw/zinc/90/92/57/371909257.db2.gz JGIPDIHXITYZGN-TYNCELHUSA-N 2 1 259.397 3.100 20 0 CGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423100548 371965203 /nfs/dbraw/zinc/96/52/03/371965203.db2.gz MXVUNQVEQYMNSH-ZBFGXGADSA-N 2 1 296.817 3.313 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423190128 372017060 /nfs/dbraw/zinc/01/70/60/372017060.db2.gz RTUJJYVUWFWCHC-CYBMUJFWSA-N 2 1 274.330 3.341 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423205659 372029072 /nfs/dbraw/zinc/02/90/72/372029072.db2.gz FKQRXADHLUIMJG-ABAIWWIYSA-N 2 1 268.351 3.005 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000157647711 372031220 /nfs/dbraw/zinc/03/12/20/372031220.db2.gz OOYWQMLMPDNCKV-CVEARBPZSA-N 2 1 272.436 3.099 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423220037 372037745 /nfs/dbraw/zinc/03/77/45/372037745.db2.gz XTWXBKUSBJQUAU-SWLSCSKDSA-N 2 1 296.842 3.389 20 0 CGADMP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000423219238 372037839 /nfs/dbraw/zinc/03/78/39/372037839.db2.gz VYIMROSNLQHQPG-BPLDGKMQSA-N 2 1 298.352 3.293 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C1CCCCC1 ZINC000423259717 372043405 /nfs/dbraw/zinc/04/34/05/372043405.db2.gz FQXBUVJLVNSEHH-SJORKVTESA-N 2 1 288.435 3.267 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CCCCC1 ZINC000423268852 372046639 /nfs/dbraw/zinc/04/66/39/372046639.db2.gz VESSASYBVGUQID-JXQTWKCFSA-N 2 1 274.399 3.308 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C1CCCCC1 ZINC000423269598 372046723 /nfs/dbraw/zinc/04/67/23/372046723.db2.gz VXBHQOFVZYCTRV-IAGOWNOFSA-N 2 1 258.409 3.171 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCCO2 ZINC000423278947 372046953 /nfs/dbraw/zinc/04/69/53/372046953.db2.gz RNVMZEGWOXNQQY-CVEARBPZSA-N 2 1 276.424 3.090 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423323568 372051376 /nfs/dbraw/zinc/05/13/76/372051376.db2.gz JSBKYUDQWUPZJO-DYVFJYSZSA-N 2 1 272.367 3.046 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000423342278 372053771 /nfs/dbraw/zinc/05/37/71/372053771.db2.gz YWFOCIZYENOPLO-YGRLFVJLSA-N 2 1 252.789 3.044 20 0 CGADMP COc1ccccc1[C@H]([NH2+]CC1([NH3+])CCC1)C1CCCC1 ZINC000423334227 372054157 /nfs/dbraw/zinc/05/41/57/372054157.db2.gz SJBJHCVZHRRRJL-QGZVFWFLSA-N 2 1 288.435 3.398 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158185157 372058266 /nfs/dbraw/zinc/05/82/66/372058266.db2.gz KEBXMYQRXZQCRG-FUHWJXTLSA-N 2 1 292.442 3.324 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158185308 372058437 /nfs/dbraw/zinc/05/84/37/372058437.db2.gz KEBXMYQRXZQCRG-WMZOPIPTSA-N 2 1 292.442 3.324 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000423380854 372058884 /nfs/dbraw/zinc/05/88/84/372058884.db2.gz YWFOCIZYENOPLO-IINYFYTJSA-N 2 1 252.789 3.044 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423180384 372009120 /nfs/dbraw/zinc/00/91/20/372009120.db2.gz NKAJUSPXXAORGZ-LLVKDONJSA-N 2 1 268.426 3.069 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccs1 ZINC000159115858 372108764 /nfs/dbraw/zinc/10/87/64/372108764.db2.gz PYFNQCWVCHNXJU-OAHLLOKOSA-N 2 1 296.480 3.290 20 0 CGADMP Cc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)c1 ZINC000158251033 372062690 /nfs/dbraw/zinc/06/26/90/372062690.db2.gz XIHLYRMWJAAICS-HKUYNNGSSA-N 2 1 286.463 3.248 20 0 CGADMP Cc1ccccc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158682455 372079400 /nfs/dbraw/zinc/07/94/00/372079400.db2.gz BCZCNNWIMROLTP-RTBURBONSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccccc1CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158682455 372079403 /nfs/dbraw/zinc/07/94/03/372079403.db2.gz BCZCNNWIMROLTP-RTBURBONSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158682455 372079413 /nfs/dbraw/zinc/07/94/13/372079413.db2.gz BCZCNNWIMROLTP-RTBURBONSA-N 2 1 286.463 3.344 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1sccc1Cl)CC[NH2+]CC2 ZINC000424301607 372081847 /nfs/dbraw/zinc/08/18/47/372081847.db2.gz XTZJTIZLSIROLK-LLVKDONJSA-N 2 1 284.856 3.366 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289151 372082005 /nfs/dbraw/zinc/08/20/05/372082005.db2.gz LTQQTLQCUVASDG-CABCVRRESA-N 2 1 252.446 3.133 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424372573 372085730 /nfs/dbraw/zinc/08/57/30/372085730.db2.gz ICSXZUKYJSTPBQ-IACUBPJLSA-N 2 1 264.438 3.329 20 0 CGADMP Cc1ccc(CSCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000158960296 372093738 /nfs/dbraw/zinc/09/37/38/372093738.db2.gz NMRCLWJNQVCOOG-WBVHZDCISA-N 2 1 292.492 3.301 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000291289925 372155830 /nfs/dbraw/zinc/15/58/30/372155830.db2.gz RSSUEZVZKRLSPV-WMLDXEAASA-N 2 1 288.435 3.091 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000429050256 372309377 /nfs/dbraw/zinc/30/93/77/372309377.db2.gz SCQMREQRQZCPHI-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C1(CC)CC ZINC000429348688 372353887 /nfs/dbraw/zinc/35/38/87/372353887.db2.gz KWCLDBXYUVPDAW-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCCc2ccccc2)CC[N@H+]1C ZINC000162433986 372394903 /nfs/dbraw/zinc/39/49/03/372394903.db2.gz CZBSISJELLQYBE-FUHWJXTLSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H](CN)[N@H+](C)CCCSc1ccccc1Cl ZINC000430919211 372404983 /nfs/dbraw/zinc/40/49/83/372404983.db2.gz KIQLVGLFHXKOIW-NSHDSACASA-N 2 1 272.845 3.101 20 0 CGADMP C[C@@H](CN)[N@@H+](C)CCCSc1ccccc1Cl ZINC000430919211 372404989 /nfs/dbraw/zinc/40/49/89/372404989.db2.gz KIQLVGLFHXKOIW-NSHDSACASA-N 2 1 272.845 3.101 20 0 CGADMP C[C@@H](C[NH3+])[N@H+](C)CCCSc1ccccc1Cl ZINC000430919211 372404991 /nfs/dbraw/zinc/40/49/91/372404991.db2.gz KIQLVGLFHXKOIW-NSHDSACASA-N 2 1 272.845 3.101 20 0 CGADMP C[C@@H](C[NH3+])[N@@H+](C)CCCSc1ccccc1Cl ZINC000430919211 372404996 /nfs/dbraw/zinc/40/49/96/372404996.db2.gz KIQLVGLFHXKOIW-NSHDSACASA-N 2 1 272.845 3.101 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000163224313 372455767 /nfs/dbraw/zinc/45/57/67/372455767.db2.gz SSQIJVWKPCQJCL-DZGCQCFKSA-N 2 1 254.377 3.009 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000164714091 372530385 /nfs/dbraw/zinc/53/03/85/372530385.db2.gz NQBCOEATGZIEMV-CYBMUJFWSA-N 2 1 275.396 3.478 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000164701406 372530419 /nfs/dbraw/zinc/53/04/19/372530419.db2.gz LZSMCOGHJPROCD-CYBMUJFWSA-N 2 1 261.369 3.224 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000165631380 372554445 /nfs/dbraw/zinc/55/44/45/372554445.db2.gz OBWRCUOKXBRFJM-JKSUJKDBSA-N 2 1 263.429 3.386 20 0 CGADMP COC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000166703954 372580755 /nfs/dbraw/zinc/58/07/55/372580755.db2.gz NAHSOOCNVYTLFF-FZKQIMNGSA-N 2 1 299.418 3.256 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000167107900 372590858 /nfs/dbraw/zinc/59/08/58/372590858.db2.gz YIFWDZLWPLEGIL-LRDDRELGSA-N 2 1 296.455 3.261 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000167107900 372590863 /nfs/dbraw/zinc/59/08/63/372590863.db2.gz YIFWDZLWPLEGIL-LRDDRELGSA-N 2 1 296.455 3.261 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c21 ZINC000165220074 372545394 /nfs/dbraw/zinc/54/53/94/372545394.db2.gz WFAMZYBIPDFLSE-ZBFHGGJFSA-N 2 1 285.435 3.091 20 0 CGADMP CC1(c2ccccc2)CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000294314451 372647430 /nfs/dbraw/zinc/64/74/30/372647430.db2.gz WDRUUXGREULXBT-DMKPSLHHSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000294671101 372665845 /nfs/dbraw/zinc/66/58/45/372665845.db2.gz CRKOOTVCCJVDCQ-ZDUSSCGKSA-N 2 1 296.405 3.342 20 0 CGADMP CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000435388688 372756271 /nfs/dbraw/zinc/75/62/71/372756271.db2.gz GQOUCQLVFQJXPB-KRWDZBQOSA-N 2 1 298.434 3.041 20 0 CGADMP CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000435388688 372756278 /nfs/dbraw/zinc/75/62/78/372756278.db2.gz GQOUCQLVFQJXPB-KRWDZBQOSA-N 2 1 298.434 3.041 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+](C)CCC[NH2+]C ZINC000435870741 372820642 /nfs/dbraw/zinc/82/06/42/372820642.db2.gz OZCJYOKDDQUEEJ-UHFFFAOYSA-N 2 1 260.381 3.037 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)CCC[NH2+]C ZINC000435870741 372820653 /nfs/dbraw/zinc/82/06/53/372820653.db2.gz OZCJYOKDDQUEEJ-UHFFFAOYSA-N 2 1 260.381 3.037 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)[NH+]1CCCC1 ZINC000353457484 220093992 /nfs/dbraw/zinc/09/39/92/220093992.db2.gz ZIOWHUMGBGUYAG-JYJNAYRXSA-N 2 1 270.436 3.225 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000438196835 372910494 /nfs/dbraw/zinc/91/04/94/372910494.db2.gz ACINBUHBJZLDKV-BZUAXINKSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000438196835 372910503 /nfs/dbraw/zinc/91/05/03/372910503.db2.gz ACINBUHBJZLDKV-BZUAXINKSA-N 2 1 292.442 3.467 20 0 CGADMP CC[N@H+](CC[NH2+][C@H](C)Cc1ccccc1F)C(C)C ZINC000438217040 372914545 /nfs/dbraw/zinc/91/45/45/372914545.db2.gz SFCOAOXICZTZJF-CQSZACIVSA-N 2 1 266.404 3.077 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccccc1F)C(C)C ZINC000438217040 372914554 /nfs/dbraw/zinc/91/45/54/372914554.db2.gz SFCOAOXICZTZJF-CQSZACIVSA-N 2 1 266.404 3.077 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000353503316 220122686 /nfs/dbraw/zinc/12/26/86/220122686.db2.gz OKMWYKUYPIVRPB-WDSOQIARSA-N 2 1 295.430 3.197 20 0 CGADMP C[N@H+](Cc1cccc(OC(F)F)c1)CC1CC[NH+](C)CC1 ZINC000172534410 372985723 /nfs/dbraw/zinc/98/57/23/372985723.db2.gz ZOXGJHNZHBYKJX-UHFFFAOYSA-N 2 1 298.377 3.062 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cn1 ZINC000353534650 220140942 /nfs/dbraw/zinc/14/09/42/220140942.db2.gz IKSFIQCNSPAXGF-WMLDXEAASA-N 2 1 293.430 3.239 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1cccc2ccccc21 ZINC000442780557 373077972 /nfs/dbraw/zinc/07/79/72/373077972.db2.gz NZRLJYCHADGVRR-CVEARBPZSA-N 2 1 282.431 3.442 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H]2CCC[C@H]21 ZINC000353551732 220152580 /nfs/dbraw/zinc/15/25/80/220152580.db2.gz VWFJCIFVGULYQJ-OWCLPIDISA-N 2 1 271.408 3.244 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H]2CCC[C@H]21 ZINC000353551732 220152584 /nfs/dbraw/zinc/15/25/84/220152584.db2.gz VWFJCIFVGULYQJ-OWCLPIDISA-N 2 1 271.408 3.244 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)cn1 ZINC000296355508 373101731 /nfs/dbraw/zinc/10/17/31/373101731.db2.gz JGGGROUVXUIVTA-CKEIUWERSA-N 2 1 298.434 3.490 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccccc1 ZINC000173441905 373142843 /nfs/dbraw/zinc/14/28/43/373142843.db2.gz UOYFUWOOYKPVNJ-AWEZNQCLSA-N 2 1 257.381 3.323 20 0 CGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc(F)c1F ZINC000173958822 373222984 /nfs/dbraw/zinc/22/29/84/373222984.db2.gz TWZOTWZYHGDNBC-CQSZACIVSA-N 2 1 282.378 3.271 20 0 CGADMP CCC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000296563661 373178501 /nfs/dbraw/zinc/17/85/01/373178501.db2.gz CRBJHBLMPIEQGR-UHFFFAOYSA-N 2 1 290.426 3.365 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000298470278 373336312 /nfs/dbraw/zinc/33/63/12/373336312.db2.gz OWQJFJSMWMLLSP-UHFFFAOYSA-N 2 1 295.789 3.280 20 0 CGADMP Clc1ccc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298580309 373359775 /nfs/dbraw/zinc/35/97/75/373359775.db2.gz XQSHJZOPNIEGRV-UHFFFAOYSA-N 2 1 292.854 3.489 20 0 CGADMP C[NH+](C)CC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000447370820 373429402 /nfs/dbraw/zinc/42/94/02/373429402.db2.gz CPEXINUUPUGZQE-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000299366730 373520731 /nfs/dbraw/zinc/52/07/31/373520731.db2.gz XRVCOHIPIRHPBB-UHFFFAOYSA-N 2 1 287.407 3.159 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300417210 373633056 /nfs/dbraw/zinc/63/30/56/373633056.db2.gz LSLXRMBIRYFAGT-DOMZBBRYSA-N 2 1 266.816 3.221 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000300582457 373636292 /nfs/dbraw/zinc/63/62/92/373636292.db2.gz VTKFBARNKSRBGD-BLNMRFBMSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C(C)C ZINC000299941662 373616133 /nfs/dbraw/zinc/61/61/33/373616133.db2.gz DTEHJTQBRBUHEG-HZPDHXFCSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C(C)C ZINC000299941662 373616141 /nfs/dbraw/zinc/61/61/41/373616141.db2.gz DTEHJTQBRBUHEG-HZPDHXFCSA-N 2 1 252.446 3.131 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000300078579 373617877 /nfs/dbraw/zinc/61/78/77/373617877.db2.gz MBLWCMUHBLLFKB-QSPRXWTASA-N 2 1 262.441 3.195 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449133560 373663744 /nfs/dbraw/zinc/66/37/44/373663744.db2.gz YXKGXIRFXKKCBX-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)nc2)C[C@H]1C ZINC000353657760 220230572 /nfs/dbraw/zinc/23/05/72/220230572.db2.gz HICDXNPFMJNYBP-SJLPKXTDSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc(C)nc2)C[C@H]1C ZINC000353657760 220230575 /nfs/dbraw/zinc/23/05/75/220230575.db2.gz HICDXNPFMJNYBP-SJLPKXTDSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc(C)nc2)C[C@H]1C ZINC000353657760 220230579 /nfs/dbraw/zinc/23/05/79/220230579.db2.gz HICDXNPFMJNYBP-SJLPKXTDSA-N 2 1 289.467 3.127 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000289580797 197409911 /nfs/dbraw/zinc/40/99/11/197409911.db2.gz HJBHSQLTOHFFBC-HKUYNNGSSA-N 2 1 297.446 3.354 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C/C=C\c1ccncc1 ZINC000449385193 373686977 /nfs/dbraw/zinc/68/69/77/373686977.db2.gz PLSKHASEPNSAJF-XFHJGTJQSA-N 2 1 287.451 3.195 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732783 373704009 /nfs/dbraw/zinc/70/40/09/373704009.db2.gz UAKWVYMINKGFBZ-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732783 373704021 /nfs/dbraw/zinc/70/40/21/373704021.db2.gz UAKWVYMINKGFBZ-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732783 373704031 /nfs/dbraw/zinc/70/40/31/373704031.db2.gz UAKWVYMINKGFBZ-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732783 373704037 /nfs/dbraw/zinc/70/40/37/373704037.db2.gz UAKWVYMINKGFBZ-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000449429983 373707146 /nfs/dbraw/zinc/70/71/46/373707146.db2.gz YCXAIAFOOQUJEC-UHFFFAOYSA-N 2 1 267.442 3.017 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000302380987 373859569 /nfs/dbraw/zinc/85/95/69/373859569.db2.gz IHIDUNZUMDJHSF-CHWSQXEVSA-N 2 1 262.388 3.117 20 0 CGADMP CCC[C@H](C)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000179960036 373945943 /nfs/dbraw/zinc/94/59/43/373945943.db2.gz UVQMIQLBNXVSSC-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000450437544 374129593 /nfs/dbraw/zinc/12/95/93/374129593.db2.gz LBQPKCUEUYLTJU-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C1=C(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450605216 374165414 /nfs/dbraw/zinc/16/54/14/374165414.db2.gz YUONRRHPSJPHHY-SJLPKXTDSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450605216 374165419 /nfs/dbraw/zinc/16/54/19/374165419.db2.gz YUONRRHPSJPHHY-SJLPKXTDSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000450605216 374165424 /nfs/dbraw/zinc/16/54/24/374165424.db2.gz YUONRRHPSJPHHY-SJLPKXTDSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000450605216 374165427 /nfs/dbraw/zinc/16/54/27/374165427.db2.gz YUONRRHPSJPHHY-SJLPKXTDSA-N 2 1 274.452 3.436 20 0 CGADMP C[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000308616264 374171958 /nfs/dbraw/zinc/17/19/58/374171958.db2.gz WALQKAGMSBIULU-HNNXBMFYSA-N 2 1 260.425 3.254 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000310287030 374213093 /nfs/dbraw/zinc/21/30/93/374213093.db2.gz JFOCXWYPLRLQHD-NSHDSACASA-N 2 1 272.845 3.221 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000310287030 374213102 /nfs/dbraw/zinc/21/31/02/374213102.db2.gz JFOCXWYPLRLQHD-NSHDSACASA-N 2 1 272.845 3.221 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000312476061 374280276 /nfs/dbraw/zinc/28/02/76/374280276.db2.gz HMIAGMIGEGNDSJ-ZDUSSCGKSA-N 2 1 274.408 3.283 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000312497807 374282145 /nfs/dbraw/zinc/28/21/45/374282145.db2.gz XJDKHKGKDHLAOE-GFCCVEGCSA-N 2 1 289.448 3.483 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802630 374333009 /nfs/dbraw/zinc/33/30/09/374333009.db2.gz BCPYFMHWAJEZMQ-KBXCAEBGSA-N 2 1 297.446 3.477 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000453124821 374366689 /nfs/dbraw/zinc/36/66/89/374366689.db2.gz UTHUUBRNMPWAAC-KCXAZCMYSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)CC[N@H+]1C ZINC000453124821 374366696 /nfs/dbraw/zinc/36/66/96/374366696.db2.gz UTHUUBRNMPWAAC-KCXAZCMYSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H](C2CC2)C2CCCC2)CCCO1 ZINC000453218045 374371523 /nfs/dbraw/zinc/37/15/23/374371523.db2.gz RWLBUMLFQCFOPW-YJBOKZPZSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](C2CC2)C2CCCC2)CCCO1 ZINC000453218045 374371531 /nfs/dbraw/zinc/37/15/31/374371531.db2.gz RWLBUMLFQCFOPW-YJBOKZPZSA-N 2 1 294.483 3.046 20 0 CGADMP Fc1ccc(CC2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453345436 374436832 /nfs/dbraw/zinc/43/68/32/374436832.db2.gz JZTBCGZVUBHAQC-IAGOWNOFSA-N 2 1 288.410 3.117 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453344943 374436559 /nfs/dbraw/zinc/43/65/59/374436559.db2.gz JLXPKAACGYPYTR-MUSFGAPCSA-N 2 1 270.420 3.197 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCC(C)(C)C1)C1CC1 ZINC000453395278 374472938 /nfs/dbraw/zinc/47/29/38/374472938.db2.gz HNPXCOXVSQGSJE-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000334182073 206154672 /nfs/dbraw/zinc/15/46/72/206154672.db2.gz DZHZVVNLZOXZPL-GOSISDBHSA-N 2 1 287.451 3.041 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000334182073 206154676 /nfs/dbraw/zinc/15/46/76/206154676.db2.gz DZHZVVNLZOXZPL-GOSISDBHSA-N 2 1 287.451 3.041 20 0 CGADMP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000334182073 206154679 /nfs/dbraw/zinc/15/46/79/206154679.db2.gz DZHZVVNLZOXZPL-GOSISDBHSA-N 2 1 287.451 3.041 20 0 CGADMP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000334182073 206154683 /nfs/dbraw/zinc/15/46/83/206154683.db2.gz DZHZVVNLZOXZPL-GOSISDBHSA-N 2 1 287.451 3.041 20 0 CGADMP Cc1ncc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000090417337 541960308 /nfs/dbraw/zinc/96/03/08/541960308.db2.gz MSIQDEHAAHGBLN-FZMZJTMJSA-N 2 1 283.485 3.469 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000090417338 541960533 /nfs/dbraw/zinc/96/05/33/541960533.db2.gz MSIQDEHAAHGBLN-BXUZGUMPSA-N 2 1 283.485 3.469 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)CCC2 ZINC000331761478 374546821 /nfs/dbraw/zinc/54/68/21/374546821.db2.gz BWEFFAILLMNNPB-CABCVRRESA-N 2 1 293.480 3.326 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185230296 374614966 /nfs/dbraw/zinc/61/49/66/374614966.db2.gz SLTDLUOZAOGHFH-CVEARBPZSA-N 2 1 293.455 3.153 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185230345 374615018 /nfs/dbraw/zinc/61/50/18/374615018.db2.gz SLTDLUOZAOGHFH-JKSUJKDBSA-N 2 1 293.455 3.153 20 0 CGADMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663186 374708446 /nfs/dbraw/zinc/70/84/46/374708446.db2.gz JNFCUMZKDXQSIN-SWLSCSKDSA-N 2 1 291.439 3.034 20 0 CGADMP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663186 374708455 /nfs/dbraw/zinc/70/84/55/374708455.db2.gz JNFCUMZKDXQSIN-SWLSCSKDSA-N 2 1 291.439 3.034 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000464876949 374913582 /nfs/dbraw/zinc/91/35/82/374913582.db2.gz HUQAELDRMRWJMQ-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000464876949 374913588 /nfs/dbraw/zinc/91/35/88/374913588.db2.gz HUQAELDRMRWJMQ-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1cccc(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000472758119 375033461 /nfs/dbraw/zinc/03/34/61/375033461.db2.gz ZWQPQFUODRAJMO-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cccc(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000472758119 375033468 /nfs/dbraw/zinc/03/34/68/375033468.db2.gz ZWQPQFUODRAJMO-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cccc(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000472758119 375033475 /nfs/dbraw/zinc/03/34/75/375033475.db2.gz ZWQPQFUODRAJMO-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cccc(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000472758119 375033479 /nfs/dbraw/zinc/03/34/79/375033479.db2.gz ZWQPQFUODRAJMO-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334998173 375061294 /nfs/dbraw/zinc/06/12/94/375061294.db2.gz LNCUGUQCSVCCER-BLLLJJGKSA-N 2 1 278.827 3.259 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334998173 375061301 /nfs/dbraw/zinc/06/13/01/375061301.db2.gz LNCUGUQCSVCCER-BLLLJJGKSA-N 2 1 278.827 3.259 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)CC[N@@H+]1C ZINC000335233971 375251626 /nfs/dbraw/zinc/25/16/26/375251626.db2.gz UYMNJCQNEFHUHQ-KGLIPLIRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)CC[N@H+]1C ZINC000335233971 375251628 /nfs/dbraw/zinc/25/16/28/375251628.db2.gz UYMNJCQNEFHUHQ-KGLIPLIRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+]C/C=C/c1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000487557040 375253329 /nfs/dbraw/zinc/25/33/29/375253329.db2.gz WBQGBUSHWJBKQB-NBQNJAIASA-N 2 1 299.462 3.337 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000188445325 375216790 /nfs/dbraw/zinc/21/67/90/375216790.db2.gz SGGHYTHDNWXKCM-CEXWTWQISA-N 2 1 284.447 3.453 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC(C(C)C)C2)C1 ZINC000488447356 375309910 /nfs/dbraw/zinc/30/99/10/375309910.db2.gz IWBOXEYOXJHFLC-GTPINHCMSA-N 2 1 266.473 3.379 20 0 CGADMP CSCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000188719816 375258883 /nfs/dbraw/zinc/25/88/83/375258883.db2.gz FAAJSXZBHUKKFL-JKIFEVAISA-N 2 1 292.492 3.368 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCSCc2ccccc2)CCN1C ZINC000190052600 375473593 /nfs/dbraw/zinc/47/35/93/375473593.db2.gz IDSFYSZCIFVSOC-RDJZCZTQSA-N 2 1 292.492 3.334 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSCc2ccccc2)CC[N@@H+]1C ZINC000190052600 375473601 /nfs/dbraw/zinc/47/36/01/375473601.db2.gz IDSFYSZCIFVSOC-RDJZCZTQSA-N 2 1 292.492 3.334 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSCc2ccccc2)CC[N@H+]1C ZINC000190052600 375473605 /nfs/dbraw/zinc/47/36/05/375473605.db2.gz IDSFYSZCIFVSOC-RDJZCZTQSA-N 2 1 292.492 3.334 20 0 CGADMP Clc1cc(Cl)cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000336004856 375611908 /nfs/dbraw/zinc/61/19/08/375611908.db2.gz JSVOPTVUIFJDOQ-GFCCVEGCSA-N 2 1 296.201 3.364 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000502868544 375647748 /nfs/dbraw/zinc/64/77/48/375647748.db2.gz UAGZMRBMSDRIQV-BHIYHBOVSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502868544 375647757 /nfs/dbraw/zinc/64/77/57/375647757.db2.gz UAGZMRBMSDRIQV-BHIYHBOVSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000502868544 375647764 /nfs/dbraw/zinc/64/77/64/375647764.db2.gz UAGZMRBMSDRIQV-BHIYHBOVSA-N 2 1 286.463 3.424 20 0 CGADMP CC[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123891138 542029184 /nfs/dbraw/zinc/02/91/84/542029184.db2.gz WPUNDRYZUNKMQJ-UHFFFAOYSA-N 2 1 280.415 3.354 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000192932912 375804705 /nfs/dbraw/zinc/80/47/05/375804705.db2.gz HHICHKGCXGAWBL-VNHYZAJKSA-N 2 1 262.397 3.119 20 0 CGADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192930298 375805636 /nfs/dbraw/zinc/80/56/36/375805636.db2.gz PVNHWIKZTFRGHP-WBVHZDCISA-N 2 1 260.425 3.143 20 0 CGADMP FC(F)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336406190 375791007 /nfs/dbraw/zinc/79/10/07/375791007.db2.gz FDIBUJVCQIQLMP-HOAMVYINSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]CCC2CCCCCC2)CCCO1 ZINC000520459761 375858064 /nfs/dbraw/zinc/85/80/64/375858064.db2.gz HSWLTVYMHFVVMJ-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP CCO[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000193433082 375877056 /nfs/dbraw/zinc/87/70/56/375877056.db2.gz QZHWYRUGLZYWJW-ONIAQPFYSA-N 2 1 290.451 3.083 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000336719719 375919043 /nfs/dbraw/zinc/91/90/43/375919043.db2.gz RSUXMKMUGGWSEY-GFCCVEGCSA-N 2 1 254.805 3.078 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000336791476 375941548 /nfs/dbraw/zinc/94/15/48/375941548.db2.gz NPQWNJQQPOARDE-ZDUSSCGKSA-N 2 1 266.454 3.411 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000336791476 375941556 /nfs/dbraw/zinc/94/15/56/375941556.db2.gz NPQWNJQQPOARDE-ZDUSSCGKSA-N 2 1 266.454 3.411 20 0 CGADMP Cc1[nH+]ccn1CCCCn1cnc2c1C[C@@H](C)[C@H](C)C2 ZINC000336849665 376011026 /nfs/dbraw/zinc/01/10/26/376011026.db2.gz SLRDQAWOLXRZGL-ZIAGYGMSSA-N 2 1 286.423 3.239 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000536859002 376138123 /nfs/dbraw/zinc/13/81/23/376138123.db2.gz SHQFSVHOIKRYBS-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000212736826 376139289 /nfs/dbraw/zinc/13/92/89/376139289.db2.gz MKOHJYCNTCHUHI-SNVBAGLBSA-N 2 1 270.779 3.224 20 0 CGADMP C[N@H+](CCCc1ccsc1)CCC[NH+]1CCCC1 ZINC000337237228 376157718 /nfs/dbraw/zinc/15/77/18/376157718.db2.gz YLMZJSBGXJQGLT-UHFFFAOYSA-N 2 1 266.454 3.098 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618592 376183669 /nfs/dbraw/zinc/18/36/69/376183669.db2.gz FGLBEXVFHJFSHC-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618592 376183676 /nfs/dbraw/zinc/18/36/76/376183676.db2.gz FGLBEXVFHJFSHC-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618592 376183679 /nfs/dbraw/zinc/18/36/79/376183679.db2.gz FGLBEXVFHJFSHC-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000536693857 376124136 /nfs/dbraw/zinc/12/41/36/376124136.db2.gz YQQGQDAGXGEQNE-SUJAAXHWSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000536693857 376124141 /nfs/dbraw/zinc/12/41/41/376124141.db2.gz YQQGQDAGXGEQNE-SUJAAXHWSA-N 2 1 252.446 3.274 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC13CCC3)C2 ZINC000337398845 376218686 /nfs/dbraw/zinc/21/86/86/376218686.db2.gz OTVWCIPIQNZBBN-GOSISDBHSA-N 2 1 284.447 3.357 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC13CCC3)C2 ZINC000337398845 376218692 /nfs/dbraw/zinc/21/86/92/376218692.db2.gz OTVWCIPIQNZBBN-GOSISDBHSA-N 2 1 284.447 3.357 20 0 CGADMP COc1ccc(C)cc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221830135 376220855 /nfs/dbraw/zinc/22/08/55/376220855.db2.gz HABHHZHMNUYQQK-KKUMJFAQSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221830135 376220866 /nfs/dbraw/zinc/22/08/66/376220866.db2.gz HABHHZHMNUYQQK-KKUMJFAQSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221830135 376220870 /nfs/dbraw/zinc/22/08/70/376220870.db2.gz HABHHZHMNUYQQK-KKUMJFAQSA-N 2 1 276.424 3.137 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000221783532 376221044 /nfs/dbraw/zinc/22/10/44/376221044.db2.gz CGRDEZQSLSDFFE-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC000538751263 376266696 /nfs/dbraw/zinc/26/66/96/376266696.db2.gz YNGZSOGDAHMXGG-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000538751263 376266699 /nfs/dbraw/zinc/26/66/99/376266699.db2.gz YNGZSOGDAHMXGG-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000538751263 376266710 /nfs/dbraw/zinc/26/67/10/376266710.db2.gz YNGZSOGDAHMXGG-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCc2c1c(F)ccc2F)C[NH+]1CCCC1 ZINC000338179136 376276161 /nfs/dbraw/zinc/27/61/61/376276161.db2.gz AYMFCEVKAAZUAV-LRDDRELGSA-N 2 1 294.389 3.274 20 0 CGADMP FC1(F)CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000338319770 376332457 /nfs/dbraw/zinc/33/24/57/376332457.db2.gz RRZDYEUGOWNIOR-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP Clc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435505 376359560 /nfs/dbraw/zinc/35/95/60/376359560.db2.gz OSWUZZINGXTVAX-AWEZNQCLSA-N 2 1 278.827 3.304 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000226436236 376359751 /nfs/dbraw/zinc/35/97/51/376359751.db2.gz PSRCWPGJXGSCDW-NVXWUHKLSA-N 2 1 260.425 3.459 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000226430090 376359785 /nfs/dbraw/zinc/35/97/85/376359785.db2.gz XVJSLQQDCSPGKV-CZUORRHYSA-N 2 1 264.413 3.061 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000226435702 376360642 /nfs/dbraw/zinc/36/06/42/376360642.db2.gz XPNOXJNJGWAFNA-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000540166496 376363233 /nfs/dbraw/zinc/36/32/33/376363233.db2.gz ZSZLMZSUBWKPPW-CJNGLKHVSA-N 2 1 288.460 3.374 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000226831359 376375200 /nfs/dbraw/zinc/37/52/00/376375200.db2.gz FANVVYSXIZNYQC-JKJDWNRSSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000227074017 376380653 /nfs/dbraw/zinc/38/06/53/376380653.db2.gz MWPBOZIIABZAET-HOTGVXAUSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000228079755 376426883 /nfs/dbraw/zinc/42/68/83/376426883.db2.gz ZTVBCRVADKMKDF-HRCADAONSA-N 2 1 260.425 3.342 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000228809279 376449801 /nfs/dbraw/zinc/44/98/01/376449801.db2.gz MUOCDVNVMUCJTI-OLZOCXBDSA-N 2 1 280.378 3.427 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000541773176 376481055 /nfs/dbraw/zinc/48/10/55/376481055.db2.gz QJTNKDOIAZSCQR-YVARQFDVSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000541773176 376481063 /nfs/dbraw/zinc/48/10/63/376481063.db2.gz QJTNKDOIAZSCQR-YVARQFDVSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000541773176 376481071 /nfs/dbraw/zinc/48/10/71/376481071.db2.gz QJTNKDOIAZSCQR-YVARQFDVSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000541773176 376481079 /nfs/dbraw/zinc/48/10/79/376481079.db2.gz QJTNKDOIAZSCQR-YVARQFDVSA-N 2 1 294.389 3.252 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000541536096 376454511 /nfs/dbraw/zinc/45/45/11/376454511.db2.gz YAJHHHDRQUZRAX-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000541536096 376454514 /nfs/dbraw/zinc/45/45/14/376454514.db2.gz YAJHHHDRQUZRAX-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000541536096 376454516 /nfs/dbraw/zinc/45/45/16/376454516.db2.gz YAJHHHDRQUZRAX-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000541537882 376455381 /nfs/dbraw/zinc/45/53/81/376455381.db2.gz SVWKRUVSKHCQGU-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000541537882 376455394 /nfs/dbraw/zinc/45/53/94/376455394.db2.gz SVWKRUVSKHCQGU-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000541537882 376455402 /nfs/dbraw/zinc/45/54/02/376455402.db2.gz SVWKRUVSKHCQGU-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000230989587 376549506 /nfs/dbraw/zinc/54/95/06/376549506.db2.gz RWMMNWAHBAMWGA-TWMKSMIVSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000230989587 376549514 /nfs/dbraw/zinc/54/95/14/376549514.db2.gz RWMMNWAHBAMWGA-TWMKSMIVSA-N 2 1 264.457 3.418 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231459356 376557912 /nfs/dbraw/zinc/55/79/12/376557912.db2.gz UPWIEXUSFZGGPR-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000338793814 376537651 /nfs/dbraw/zinc/53/76/51/376537651.db2.gz OKPQNQWTOYDRQN-MRXNPFEDSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000542694283 376570513 /nfs/dbraw/zinc/57/05/13/376570513.db2.gz SHJGBVJGDYUVTB-RDJZCZTQSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)C1CC([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000232536825 376583040 /nfs/dbraw/zinc/58/30/40/376583040.db2.gz ILKZZEXJTLAQSX-QQFBHYJXSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235030471 376628792 /nfs/dbraw/zinc/62/87/92/376628792.db2.gz JSZVHWMHUIHLMR-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000235290058 376636976 /nfs/dbraw/zinc/63/69/76/376636976.db2.gz RTJCTQORYOHKEX-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCCC(C)(C)C3)[C@H]2C1 ZINC000543705247 376669544 /nfs/dbraw/zinc/66/95/44/376669544.db2.gz QRDONWNKUDGEQA-XHSDSOJGSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCCC(C)(C)C3)[C@H]2C1 ZINC000543705247 376669554 /nfs/dbraw/zinc/66/95/54/376669554.db2.gz QRDONWNKUDGEQA-XHSDSOJGSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CCCC(C)(C)C3)[C@H]2C1 ZINC000543705247 376669561 /nfs/dbraw/zinc/66/95/61/376669561.db2.gz QRDONWNKUDGEQA-XHSDSOJGSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)C3)[C@H]2C1 ZINC000543705247 376669568 /nfs/dbraw/zinc/66/95/68/376669568.db2.gz QRDONWNKUDGEQA-XHSDSOJGSA-N 2 1 264.457 3.229 20 0 CGADMP CCC(CC)(CC)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000543876467 376684603 /nfs/dbraw/zinc/68/46/03/376684603.db2.gz MGMRQLYZWVBTLG-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CCC(CC)(CC)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000543876467 376684614 /nfs/dbraw/zinc/68/46/14/376684614.db2.gz MGMRQLYZWVBTLG-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CCC(CC)(CC)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000543876467 376684616 /nfs/dbraw/zinc/68/46/16/376684616.db2.gz MGMRQLYZWVBTLG-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000544023127 376695050 /nfs/dbraw/zinc/69/50/50/376695050.db2.gz FFQFGDVWLATSPG-KBMXLJTQSA-N 2 1 278.465 3.095 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000544023127 376695055 /nfs/dbraw/zinc/69/50/55/376695055.db2.gz FFQFGDVWLATSPG-KBMXLJTQSA-N 2 1 278.465 3.095 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000544895523 376769917 /nfs/dbraw/zinc/76/99/17/376769917.db2.gz YOFKXYRSSMNGSP-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000544895523 376769922 /nfs/dbraw/zinc/76/99/22/376769922.db2.gz YOFKXYRSSMNGSP-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000544895523 376769924 /nfs/dbraw/zinc/76/99/24/376769924.db2.gz YOFKXYRSSMNGSP-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@@H]1C[C@H](Nc2cccc3cc[nH+]cc32)CC[N@@H+]1C ZINC000156156128 542126968 /nfs/dbraw/zinc/12/69/68/542126968.db2.gz PUJVZZCSOUNJJU-TZMCWYRMSA-N 2 1 255.365 3.129 20 0 CGADMP C[C@@H]1C[C@H](Nc2cccc3cc[nH+]cc32)CC[N@H+]1C ZINC000156156128 542126973 /nfs/dbraw/zinc/12/69/73/542126973.db2.gz PUJVZZCSOUNJJU-TZMCWYRMSA-N 2 1 255.365 3.129 20 0 CGADMP C[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1(C)C ZINC000545420635 376822369 /nfs/dbraw/zinc/82/23/69/376822369.db2.gz PXNNBZWYWFRPRL-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000545420635 376822377 /nfs/dbraw/zinc/82/23/77/376822377.db2.gz PXNNBZWYWFRPRL-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000545420635 376822383 /nfs/dbraw/zinc/82/23/83/376822383.db2.gz PXNNBZWYWFRPRL-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000245538219 376844767 /nfs/dbraw/zinc/84/47/67/376844767.db2.gz MSNQLKFUAQWSJW-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000245538219 376844776 /nfs/dbraw/zinc/84/47/76/376844776.db2.gz MSNQLKFUAQWSJW-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000245538219 376844786 /nfs/dbraw/zinc/84/47/86/376844786.db2.gz MSNQLKFUAQWSJW-LTIDMASMSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000245569271 376858603 /nfs/dbraw/zinc/85/86/03/376858603.db2.gz GEWCCCUTLZPVRJ-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000245569271 376858611 /nfs/dbraw/zinc/85/86/11/376858611.db2.gz GEWCCCUTLZPVRJ-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245622124 376870770 /nfs/dbraw/zinc/87/07/70/376870770.db2.gz OBWJSLZCSIEFBN-HZPDHXFCSA-N 2 1 293.480 3.332 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245622124 376870780 /nfs/dbraw/zinc/87/07/80/376870780.db2.gz OBWJSLZCSIEFBN-HZPDHXFCSA-N 2 1 293.480 3.332 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709681 376887596 /nfs/dbraw/zinc/88/75/96/376887596.db2.gz FSBLQJZRGGVIOG-LRDDRELGSA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709681 376887601 /nfs/dbraw/zinc/88/76/01/376887601.db2.gz FSBLQJZRGGVIOG-LRDDRELGSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709681 376887619 /nfs/dbraw/zinc/88/76/19/376887619.db2.gz FSBLQJZRGGVIOG-LRDDRELGSA-N 2 1 282.378 3.127 20 0 CGADMP C1=CC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000245724668 376891393 /nfs/dbraw/zinc/89/13/93/376891393.db2.gz IOSKXMLOJTWTDY-SJORKVTESA-N 2 1 262.441 3.151 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000245792848 376909746 /nfs/dbraw/zinc/90/97/46/376909746.db2.gz WNGLUAKRKIHTQP-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000245792848 376909753 /nfs/dbraw/zinc/90/97/53/376909753.db2.gz WNGLUAKRKIHTQP-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000245792848 376909766 /nfs/dbraw/zinc/90/97/66/376909766.db2.gz WNGLUAKRKIHTQP-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245792848 376909775 /nfs/dbraw/zinc/90/97/75/376909775.db2.gz WNGLUAKRKIHTQP-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245792848 376909788 /nfs/dbraw/zinc/90/97/88/376909788.db2.gz WNGLUAKRKIHTQP-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000245792848 376909794 /nfs/dbraw/zinc/90/97/94/376909794.db2.gz WNGLUAKRKIHTQP-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000245792848 376909801 /nfs/dbraw/zinc/90/98/01/376909801.db2.gz WNGLUAKRKIHTQP-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000245951248 376942284 /nfs/dbraw/zinc/94/22/84/376942284.db2.gz CBEMGQCTRLMUGO-MAUKXSAKSA-N 2 1 272.436 3.459 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2ccccc2)C1 ZINC000246112391 376969610 /nfs/dbraw/zinc/96/96/10/376969610.db2.gz CEVFCDRLMMKMOA-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000246112391 376969615 /nfs/dbraw/zinc/96/96/15/376969615.db2.gz CEVFCDRLMMKMOA-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000246112391 376969620 /nfs/dbraw/zinc/96/96/20/376969620.db2.gz CEVFCDRLMMKMOA-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(C)c1 ZINC000246441606 377031035 /nfs/dbraw/zinc/03/10/35/377031035.db2.gz OOLXYAUBXAAGPR-GVDBMIGSSA-N 2 1 290.451 3.225 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000246886892 377112600 /nfs/dbraw/zinc/11/26/00/377112600.db2.gz FFUBXIHNJJPGES-HLLBOEOZSA-N 2 1 260.425 3.122 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Sc2ccccc2)[C@@H](C)C1 ZINC000246912711 377116651 /nfs/dbraw/zinc/11/66/51/377116651.db2.gz FTPWXMSGEOTARI-UXLLHSPISA-N 2 1 292.492 3.487 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000560058373 377117385 /nfs/dbraw/zinc/11/73/85/377117385.db2.gz SRTYSDJBCRPJSI-RHSMWYFYSA-N 2 1 281.403 3.060 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC000246932804 377121725 /nfs/dbraw/zinc/12/17/25/377121725.db2.gz HFXANGDCVLBKHB-HOTGVXAUSA-N 2 1 284.488 3.149 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000559244436 377075694 /nfs/dbraw/zinc/07/56/94/377075694.db2.gz POBWGMNPTVXCBA-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000340468108 377078496 /nfs/dbraw/zinc/07/84/96/377078496.db2.gz QOQNQBQEJRKSIP-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC000246859079 377104435 /nfs/dbraw/zinc/10/44/35/377104435.db2.gz CXHXUBUPFBGNPO-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC000246859079 377104443 /nfs/dbraw/zinc/10/44/43/377104443.db2.gz CXHXUBUPFBGNPO-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000560251639 377135565 /nfs/dbraw/zinc/13/55/65/377135565.db2.gz QXWUDRVLQWLAIF-HNNXBMFYSA-N 2 1 278.440 3.468 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000247081802 377154316 /nfs/dbraw/zinc/15/43/16/377154316.db2.gz ZFISUOWMKLCHHA-DDPDARIZSA-N 2 1 250.430 3.026 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247080629 377154369 /nfs/dbraw/zinc/15/43/69/377154369.db2.gz NNUCWVZOGIVNEK-LYYZXLFJSA-N 2 1 284.513 3.369 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000247207648 377176820 /nfs/dbraw/zinc/17/68/20/377176820.db2.gz WSVWWARSUADMEW-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000561314768 377220515 /nfs/dbraw/zinc/22/05/15/377220515.db2.gz ONECWNCCUIXQID-ZKLCHKPXSA-N 2 1 264.457 3.275 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000248043606 377261670 /nfs/dbraw/zinc/26/16/70/377261670.db2.gz UKCAZMIVZRROSJ-TVFCKZIOSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248411473 377313551 /nfs/dbraw/zinc/31/35/51/377313551.db2.gz ZHOJMPPBVXDSDN-HGTKMLMNSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000562519230 377321131 /nfs/dbraw/zinc/32/11/31/377321131.db2.gz AQXNLKCZLQYCML-IJTOGUNISA-N 2 1 296.499 3.290 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Cl)CC[C@H]21 ZINC000248167597 377273549 /nfs/dbraw/zinc/27/35/49/377273549.db2.gz UBTRFJKPTGJFRO-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Cl)CC[C@H]21 ZINC000248167597 377273557 /nfs/dbraw/zinc/27/35/57/377273557.db2.gz UBTRFJKPTGJFRO-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3Cl)CC[C@H]21 ZINC000248167597 377273567 /nfs/dbraw/zinc/27/35/67/377273567.db2.gz UBTRFJKPTGJFRO-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@H]21 ZINC000248167597 377273575 /nfs/dbraw/zinc/27/35/75/377273575.db2.gz UBTRFJKPTGJFRO-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000248391369 377302641 /nfs/dbraw/zinc/30/26/41/377302641.db2.gz UZNOZBLKDQWAGX-RDJZCZTQSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248391369 377302648 /nfs/dbraw/zinc/30/26/48/377302648.db2.gz UZNOZBLKDQWAGX-RDJZCZTQSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248391369 377302658 /nfs/dbraw/zinc/30/26/58/377302658.db2.gz UZNOZBLKDQWAGX-RDJZCZTQSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248391369 377302669 /nfs/dbraw/zinc/30/26/69/377302669.db2.gz UZNOZBLKDQWAGX-RDJZCZTQSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248391369 377302675 /nfs/dbraw/zinc/30/26/75/377302675.db2.gz UZNOZBLKDQWAGX-RDJZCZTQSA-N 2 1 292.442 3.420 20 0 CGADMP FCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248396960 377305745 /nfs/dbraw/zinc/30/57/45/377305745.db2.gz HNRUIYWLNUKCBM-FGTMMUONSA-N 2 1 290.426 3.236 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000562740802 377356019 /nfs/dbraw/zinc/35/60/19/377356019.db2.gz YLJPQBDWAUQCAC-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000094826224 249042417 /nfs/dbraw/zinc/04/24/17/249042417.db2.gz YKRKVEWDWGSVPL-CYBMUJFWSA-N 2 1 282.378 3.491 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC000094896155 249043458 /nfs/dbraw/zinc/04/34/58/249043458.db2.gz HRCWZKSMZAXXPG-GOSISDBHSA-N 2 1 274.452 3.317 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166678413 542174672 /nfs/dbraw/zinc/17/46/72/542174672.db2.gz HQLSGMHRVLPHNK-ZWKOTPCHSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cccs1 ZINC000166705945 542174932 /nfs/dbraw/zinc/17/49/32/542174932.db2.gz AEQWBBHDBYSHFD-RRFJBIMHSA-N 2 1 278.465 3.143 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000313436598 249091111 /nfs/dbraw/zinc/09/11/11/249091111.db2.gz WBEBLYHOJGRTRP-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2c1 ZINC000314855764 249096375 /nfs/dbraw/zinc/09/63/75/249096375.db2.gz FESZIRBOZORCTQ-KDURUIRLSA-N 2 1 280.415 3.271 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459549606 249156104 /nfs/dbraw/zinc/15/61/04/249156104.db2.gz FDUHIVUSXLPLDN-QGZVFWFLSA-N 2 1 281.403 3.287 20 0 CGADMP COc1ccc([C@@H]2CCCCC[N@@H+]2CC(C)(C)[NH3+])cc1 ZINC000469879173 249161696 /nfs/dbraw/zinc/16/16/96/249161696.db2.gz ILHJPOUIIAGYEV-INIZCTEOSA-N 2 1 276.424 3.350 20 0 CGADMP COc1ccc([C@@H]2CCCCC[N@H+]2CC(C)(C)[NH3+])cc1 ZINC000469879173 249161699 /nfs/dbraw/zinc/16/16/99/249161699.db2.gz ILHJPOUIIAGYEV-INIZCTEOSA-N 2 1 276.424 3.350 20 0 CGADMP C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000251147042 377574495 /nfs/dbraw/zinc/57/44/95/377574495.db2.gz XRIRDONVVQURLC-JTUUTPGSSA-N 2 1 258.409 3.005 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000516580202 249237506 /nfs/dbraw/zinc/23/75/06/249237506.db2.gz CXZJRDUWALUCFF-UHFFFAOYSA-N 2 1 289.810 3.285 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000251609987 377590410 /nfs/dbraw/zinc/59/04/10/377590410.db2.gz CZKHMNNQUGZHSU-WCXIOVBPSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1c(F)cccc1Cl ZINC000517371761 249263886 /nfs/dbraw/zinc/26/38/86/249263886.db2.gz FSKXBPJWUSZNLZ-NWDGAFQWSA-N 2 1 284.806 3.081 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCCC12CC2)Cc1ccccc1 ZINC000573863818 377588174 /nfs/dbraw/zinc/58/81/74/377588174.db2.gz ZKGCTXMVVPEVOP-QGZVFWFLSA-N 2 1 272.436 3.431 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000180534700 542211502 /nfs/dbraw/zinc/21/15/02/542211502.db2.gz YINNPDXNGSZTGZ-AWEZNQCLSA-N 2 1 278.444 3.025 20 0 CGADMP CC/C=C\CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000342202639 377633831 /nfs/dbraw/zinc/63/38/31/377633831.db2.gz NRRYHTGSLDBEFO-MJSXRHKHSA-N 2 1 250.430 3.151 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC1(C)C ZINC000342623622 377693624 /nfs/dbraw/zinc/69/36/24/377693624.db2.gz HNZOVKLRUBDFNM-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP COC[C@@H](C)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000253294489 377683112 /nfs/dbraw/zinc/68/31/12/377683112.db2.gz HASDGDKUZJYFMY-DLBZAZTESA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000574997921 377735952 /nfs/dbraw/zinc/73/59/52/377735952.db2.gz BZUNAFGSHSYLJR-MWDXBVQZSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000259124616 377804798 /nfs/dbraw/zinc/80/47/98/377804798.db2.gz WDZVHABUYOPARR-HNNXBMFYSA-N 2 1 260.425 3.241 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1sccc1Cl ZINC000261585996 377823564 /nfs/dbraw/zinc/82/35/64/377823564.db2.gz QUKDXSIPGZTCDD-SNVBAGLBSA-N 2 1 258.818 3.105 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1sccc1Cl ZINC000261585996 377823570 /nfs/dbraw/zinc/82/35/70/377823570.db2.gz QUKDXSIPGZTCDD-SNVBAGLBSA-N 2 1 258.818 3.105 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257645701 377797313 /nfs/dbraw/zinc/79/73/13/377797313.db2.gz CBEPCJIWLXHQHS-SFHVURJKSA-N 2 1 272.436 3.003 20 0 CGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000261950791 377871682 /nfs/dbraw/zinc/87/16/82/377871682.db2.gz NYNLEOOMUHWUNW-CQSZACIVSA-N 2 1 252.377 3.192 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261966109 377873478 /nfs/dbraw/zinc/87/34/78/377873478.db2.gz HUTQCNIERLFTGD-INIZCTEOSA-N 2 1 278.827 3.088 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261966109 377873486 /nfs/dbraw/zinc/87/34/86/377873486.db2.gz HUTQCNIERLFTGD-INIZCTEOSA-N 2 1 278.827 3.088 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261994354 377875819 /nfs/dbraw/zinc/87/58/19/377875819.db2.gz KPOWGCOXFWRURK-CJNGLKHVSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@@H+](CCSCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262032146 377880001 /nfs/dbraw/zinc/88/00/01/377880001.db2.gz XFJLIFSCDOJCLV-KRWDZBQOSA-N 2 1 292.492 3.384 20 0 CGADMP Fc1ccc([C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262259428 377892228 /nfs/dbraw/zinc/89/22/28/377892228.db2.gz QXQOLYLDASQZOO-QGZVFWFLSA-N 2 1 276.399 3.352 20 0 CGADMP C[N@H+](Cc1cccc2cnccc21)C[C@H]1CCC[NH+](C)C1 ZINC000183092696 542228813 /nfs/dbraw/zinc/22/88/13/542228813.db2.gz TXMXWWLDJPUJHZ-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2cnccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000183092696 542228819 /nfs/dbraw/zinc/22/88/19/542228819.db2.gz TXMXWWLDJPUJHZ-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2cnccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000183092696 542228822 /nfs/dbraw/zinc/22/88/22/542228822.db2.gz TXMXWWLDJPUJHZ-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261823153 377857163 /nfs/dbraw/zinc/85/71/63/377857163.db2.gz INXCCGLMKONKSX-MBNYWOFBSA-N 2 1 266.816 3.113 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000343622465 378044231 /nfs/dbraw/zinc/04/42/31/378044231.db2.gz VMXJYEMDWLPNJX-BBWFWOEESA-N 2 1 264.457 3.300 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890326 378020922 /nfs/dbraw/zinc/02/09/22/378020922.db2.gz CCLXFLBFRHOMQR-BBWFWOEESA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890326 378020927 /nfs/dbraw/zinc/02/09/27/378020927.db2.gz CCLXFLBFRHOMQR-BBWFWOEESA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890326 378020936 /nfs/dbraw/zinc/02/09/36/378020936.db2.gz CCLXFLBFRHOMQR-BBWFWOEESA-N 2 1 294.483 3.140 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000268813828 378119707 /nfs/dbraw/zinc/11/97/07/378119707.db2.gz FPTLHKBNAJYSEO-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000268853349 378131631 /nfs/dbraw/zinc/13/16/31/378131631.db2.gz KVOYSVPUYVLBRZ-HNNXBMFYSA-N 2 1 271.408 3.193 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268724209 378097418 /nfs/dbraw/zinc/09/74/18/378097418.db2.gz QAECSVHOCCQCBG-HLLBOEOZSA-N 2 1 260.425 3.285 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268724209 378097425 /nfs/dbraw/zinc/09/74/25/378097425.db2.gz QAECSVHOCCQCBG-HLLBOEOZSA-N 2 1 260.425 3.285 20 0 CGADMP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000345172136 378213210 /nfs/dbraw/zinc/21/32/10/378213210.db2.gz TVSFGZNGPLAVNE-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)COc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000345174676 378213393 /nfs/dbraw/zinc/21/33/93/378213393.db2.gz ZHVBNBBHYAOQEE-UHFFFAOYSA-N 2 1 288.435 3.073 20 0 CGADMP CC[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000345188494 378218595 /nfs/dbraw/zinc/21/85/95/378218595.db2.gz KVHNWRGNDYEKFB-HNNXBMFYSA-N 2 1 296.842 3.183 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)OC ZINC000579574480 378172709 /nfs/dbraw/zinc/17/27/09/378172709.db2.gz HXHFMFCCYZNKDK-MHORFTMASA-N 2 1 296.499 3.290 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)C3(C)CC3)CC2)[nH+]1 ZINC000345052858 378182581 /nfs/dbraw/zinc/18/25/81/378182581.db2.gz DNTWFUQCFDABFY-AWEZNQCLSA-N 2 1 273.424 3.137 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000269861939 378273431 /nfs/dbraw/zinc/27/34/31/378273431.db2.gz JJLKHRIZMBNUDP-MLGOLLRUSA-N 2 1 294.389 3.274 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000269861939 378273434 /nfs/dbraw/zinc/27/34/34/378273434.db2.gz JJLKHRIZMBNUDP-MLGOLLRUSA-N 2 1 294.389 3.274 20 0 CGADMP c1cn(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000269979652 378289590 /nfs/dbraw/zinc/28/95/90/378289590.db2.gz QRTUARUKYQDWAT-ROUUACIJSA-N 2 1 297.446 3.248 20 0 CGADMP CC[N@@H+](Cc1cc(F)ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345214070 378225442 /nfs/dbraw/zinc/22/54/42/378225442.db2.gz WBLFEKWGVVPUOL-MRXNPFEDSA-N 2 1 264.388 3.098 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2cccc(F)c2)C1 ZINC000580766594 378257036 /nfs/dbraw/zinc/25/70/36/378257036.db2.gz MAYBTOHTMBYDOV-RDJZCZTQSA-N 2 1 292.442 3.467 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2cccc(F)c2)C1 ZINC000580766595 378257098 /nfs/dbraw/zinc/25/70/98/378257098.db2.gz MAYBTOHTMBYDOV-WBVHZDCISA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000583558598 378330896 /nfs/dbraw/zinc/33/08/96/378330896.db2.gz VHZRNUMSVMTFPO-QWHCGFSZSA-N 2 1 298.833 3.342 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000345672493 378339403 /nfs/dbraw/zinc/33/94/03/378339403.db2.gz DGOUCWYZQSCGCG-CQSZACIVSA-N 2 1 292.471 3.297 20 0 CGADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cnn1C(C)(C)C ZINC000345678958 378342257 /nfs/dbraw/zinc/34/22/57/378342257.db2.gz AITGIWDNUAAUTJ-AWEZNQCLSA-N 2 1 294.487 3.327 20 0 CGADMP Cc1c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cnn1C(C)(C)C ZINC000345678958 378342259 /nfs/dbraw/zinc/34/22/59/378342259.db2.gz AITGIWDNUAAUTJ-AWEZNQCLSA-N 2 1 294.487 3.327 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCSC1CCCCC1)C2 ZINC000595504789 378402010 /nfs/dbraw/zinc/40/20/10/378402010.db2.gz MGVUQNQSPXJMRS-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCSC1CCCCC1)C2 ZINC000595504789 378402014 /nfs/dbraw/zinc/40/20/14/378402014.db2.gz MGVUQNQSPXJMRS-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCSC1CCCCC1)C2 ZINC000595504789 378402020 /nfs/dbraw/zinc/40/20/20/378402020.db2.gz MGVUQNQSPXJMRS-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000270896125 378412596 /nfs/dbraw/zinc/41/25/96/378412596.db2.gz QBENOLFPMLMHQD-LBPRGKRZSA-N 2 1 259.353 3.010 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000270896125 378412599 /nfs/dbraw/zinc/41/25/99/378412599.db2.gz QBENOLFPMLMHQD-LBPRGKRZSA-N 2 1 259.353 3.010 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc2cccnc12 ZINC000346143293 378480015 /nfs/dbraw/zinc/48/00/15/378480015.db2.gz QDWLMBDLLVXBQY-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc2cccnc12 ZINC000346143293 378480021 /nfs/dbraw/zinc/48/00/21/378480021.db2.gz QDWLMBDLLVXBQY-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc2cccnc12 ZINC000346143293 378480024 /nfs/dbraw/zinc/48/00/24/378480024.db2.gz QDWLMBDLLVXBQY-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346149316 378481220 /nfs/dbraw/zinc/48/12/20/378481220.db2.gz WSFDEFYPMHUVPK-LBPRGKRZSA-N 2 1 261.394 3.166 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000346165698 378485976 /nfs/dbraw/zinc/48/59/76/378485976.db2.gz IRIQCBHKEQVKFS-HNNXBMFYSA-N 2 1 284.407 3.054 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000346167907 378487226 /nfs/dbraw/zinc/48/72/26/378487226.db2.gz HDBQBIOMJNKPEV-UKRRQHHQSA-N 2 1 284.407 3.196 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)CCC2 ZINC000271917295 378516045 /nfs/dbraw/zinc/51/60/45/378516045.db2.gz ZEXHXOYBNMLAJV-CQSZACIVSA-N 2 1 270.420 3.088 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000271952742 378528264 /nfs/dbraw/zinc/52/82/64/378528264.db2.gz DYCXYUVXUXGJEW-BMHOQUIDSA-N 2 1 284.447 3.323 20 0 CGADMP C[C@H](NCc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272166853 378576039 /nfs/dbraw/zinc/57/60/39/378576039.db2.gz HAXFHGXBCQXCTM-DOTOQJQBSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@H]([NH2+]Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272166853 378576049 /nfs/dbraw/zinc/57/60/49/378576049.db2.gz HAXFHGXBCQXCTM-DOTOQJQBSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@H]([NH2+]Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272166853 378576054 /nfs/dbraw/zinc/57/60/54/378576054.db2.gz HAXFHGXBCQXCTM-DOTOQJQBSA-N 2 1 284.403 3.280 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000346276618 378531141 /nfs/dbraw/zinc/53/11/41/378531141.db2.gz LNXSHUFSRFUAAI-MAUKXSAKSA-N 2 1 283.419 3.317 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000346276618 378531146 /nfs/dbraw/zinc/53/11/46/378531146.db2.gz LNXSHUFSRFUAAI-MAUKXSAKSA-N 2 1 283.419 3.317 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000346537588 378609542 /nfs/dbraw/zinc/60/95/42/378609542.db2.gz RTJOBKMTFNBANU-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000346537588 378609547 /nfs/dbraw/zinc/60/95/47/378609547.db2.gz RTJOBKMTFNBANU-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CC(C[NH+](C)CC1CCC1)C[N@@H+](C)CC1CCC1 ZINC000346641417 378657523 /nfs/dbraw/zinc/65/75/23/378657523.db2.gz KJOOQZHVOWLJRB-UHFFFAOYSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000346692338 378676810 /nfs/dbraw/zinc/67/68/10/378676810.db2.gz YFPYRQSCRVPRMS-WDEREUQCSA-N 2 1 293.461 3.041 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc2cccnc21)CC(C)(C)C[NH3+] ZINC000346693153 378677004 /nfs/dbraw/zinc/67/70/04/378677004.db2.gz LAFOKVLAQJWAIF-UHFFFAOYSA-N 2 1 291.826 3.305 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000346694492 378678989 /nfs/dbraw/zinc/67/89/89/378678989.db2.gz UPHZHQVIVWSQIW-APHBUQMISA-N 2 1 282.378 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000346966103 378699426 /nfs/dbraw/zinc/69/94/26/378699426.db2.gz CNPBOSJFKYAAHE-CKEIUWERSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346849979 378694146 /nfs/dbraw/zinc/69/41/46/378694146.db2.gz HIOSRQXLPQAOPN-NVXWUHKLSA-N 2 1 258.409 3.132 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCCc1cnccc1C ZINC000348011011 378753785 /nfs/dbraw/zinc/75/37/85/378753785.db2.gz KLBLNSFYWMBZRJ-GOSISDBHSA-N 2 1 289.467 3.177 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCCc1cnccc1C ZINC000348011011 378753796 /nfs/dbraw/zinc/75/37/96/378753796.db2.gz KLBLNSFYWMBZRJ-GOSISDBHSA-N 2 1 289.467 3.177 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000273016805 378733067 /nfs/dbraw/zinc/73/30/67/378733067.db2.gz BYYRQJPPEYEADQ-BHYGNILZSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000273016805 378733072 /nfs/dbraw/zinc/73/30/72/378733072.db2.gz BYYRQJPPEYEADQ-BHYGNILZSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(C2CC2)no1 ZINC000638366260 378779037 /nfs/dbraw/zinc/77/90/37/378779037.db2.gz MHSBHRHZMUONKO-AWEZNQCLSA-N 2 1 291.439 3.296 20 0 CGADMP CCC[NH+]1CCC([NH2+]C2(c3ccc(OC)cc3)CC2)CC1 ZINC000346743042 218004729 /nfs/dbraw/zinc/00/47/29/218004729.db2.gz YUZRFCWNIJHLIW-UHFFFAOYSA-N 2 1 288.435 3.148 20 0 CGADMP CCOC1CC(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000638366521 378780652 /nfs/dbraw/zinc/78/06/52/378780652.db2.gz QKYBOANKNPICMP-GTPINHCMSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000348118072 378799071 /nfs/dbraw/zinc/79/90/71/378799071.db2.gz DZOQTSACVHQHCW-YUELXQCFSA-N 2 1 263.429 3.242 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@@H]12 ZINC000346829870 218027841 /nfs/dbraw/zinc/02/78/41/218027841.db2.gz OEJOMPLHXLFICF-NWANDNLSSA-N 2 1 272.417 3.070 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)C[C@@H]21 ZINC000346837520 218031266 /nfs/dbraw/zinc/03/12/66/218031266.db2.gz WEJRWLBRCKKFED-KNXALSJPSA-N 2 1 288.366 3.131 20 0 CGADMP CCOC1CC(C[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000638596703 378845230 /nfs/dbraw/zinc/84/52/30/378845230.db2.gz OREKVWJSQDAZFJ-GTPINHCMSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC1CC(C[NH2+]CC(C)(C)[N@H+]2CCC[C@H](CC)C2)C1 ZINC000638596703 378845235 /nfs/dbraw/zinc/84/52/35/378845235.db2.gz OREKVWJSQDAZFJ-GTPINHCMSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CC[N@@H+]1C ZINC000638706637 378882755 /nfs/dbraw/zinc/88/27/55/378882755.db2.gz HJZFUOQHDNIEBO-SUMWQHHRSA-N 2 1 262.441 3.482 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CC[N@H+]1C ZINC000638706637 378882759 /nfs/dbraw/zinc/88/27/59/378882759.db2.gz HJZFUOQHDNIEBO-SUMWQHHRSA-N 2 1 262.441 3.482 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)noc1C ZINC000348307735 378899666 /nfs/dbraw/zinc/89/96/66/378899666.db2.gz COEOPGUNZBHLOL-WBVHZDCISA-N 2 1 293.455 3.282 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346996297 218084795 /nfs/dbraw/zinc/08/47/95/218084795.db2.gz WKAGDAWXFVLJLP-WMZOPIPTSA-N 2 1 272.436 3.440 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346998994 218086881 /nfs/dbraw/zinc/08/68/81/218086881.db2.gz YDCHBQKBANWORN-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000347002329 218086984 /nfs/dbraw/zinc/08/69/84/218086984.db2.gz JETAUIUJKHCGOB-PBHICJAKSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241374 378952872 /nfs/dbraw/zinc/95/28/72/378952872.db2.gz GWRUZEOGPRHITI-DOMZBBRYSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241374 378952875 /nfs/dbraw/zinc/95/28/75/378952875.db2.gz GWRUZEOGPRHITI-DOMZBBRYSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241374 378952879 /nfs/dbraw/zinc/95/28/79/378952879.db2.gz GWRUZEOGPRHITI-DOMZBBRYSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241374 378952883 /nfs/dbraw/zinc/95/28/83/378952883.db2.gz GWRUZEOGPRHITI-DOMZBBRYSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348434941 378954340 /nfs/dbraw/zinc/95/43/40/378954340.db2.gz WLNLEIQGYKYMMR-XOYOTBSWSA-N 2 1 290.426 3.377 20 0 CGADMP CCC[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638968496 378961578 /nfs/dbraw/zinc/96/15/78/378961578.db2.gz AXEXMBOZDQBPLX-HLLBOEOZSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH2+]CC1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638970669 378961733 /nfs/dbraw/zinc/96/17/33/378961733.db2.gz MSKFMHXSWXKJKP-ZBFHGGJFSA-N 2 1 296.524 3.372 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000347024296 218095857 /nfs/dbraw/zinc/09/58/57/218095857.db2.gz QRCXRWWQPDTBQG-ZZDKLVDUSA-N 2 1 280.362 3.037 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000347024296 218095860 /nfs/dbraw/zinc/09/58/60/218095860.db2.gz QRCXRWWQPDTBQG-ZZDKLVDUSA-N 2 1 280.362 3.037 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277063498 379058912 /nfs/dbraw/zinc/05/89/12/379058912.db2.gz DGSPKIVHKIJYOS-OAHLLOKOSA-N 2 1 278.465 3.325 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277063498 379058922 /nfs/dbraw/zinc/05/89/22/379058922.db2.gz DGSPKIVHKIJYOS-OAHLLOKOSA-N 2 1 278.465 3.325 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000370675962 379052338 /nfs/dbraw/zinc/05/23/38/379052338.db2.gz HBAIHRZRXNYXSD-KRWDZBQOSA-N 2 1 299.418 3.394 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCSc2ccccc2)CC1 ZINC000277087414 379064644 /nfs/dbraw/zinc/06/46/44/379064644.db2.gz FRGQFDXJNXTOFA-HNNXBMFYSA-N 2 1 278.465 3.195 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277122805 379074411 /nfs/dbraw/zinc/07/44/11/379074411.db2.gz HZYBJEWPPDYWSY-INIZCTEOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277122805 379074414 /nfs/dbraw/zinc/07/44/14/379074414.db2.gz HZYBJEWPPDYWSY-INIZCTEOSA-N 2 1 264.388 3.050 20 0 CGADMP CO[C@H](C)C[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000348836707 379075427 /nfs/dbraw/zinc/07/54/27/379075427.db2.gz XHEDHQJERVMOOO-MRXNPFEDSA-N 2 1 292.467 3.111 20 0 CGADMP CO[C@H](C)C[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000348836707 379075435 /nfs/dbraw/zinc/07/54/35/379075435.db2.gz XHEDHQJERVMOOO-MRXNPFEDSA-N 2 1 292.467 3.111 20 0 CGADMP CO[C@H](C)C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000348836707 379075439 /nfs/dbraw/zinc/07/54/39/379075439.db2.gz XHEDHQJERVMOOO-MRXNPFEDSA-N 2 1 292.467 3.111 20 0 CGADMP CO[C@H](C)C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000348836707 379075446 /nfs/dbraw/zinc/07/54/46/379075446.db2.gz XHEDHQJERVMOOO-MRXNPFEDSA-N 2 1 292.467 3.111 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)CC1 ZINC000277222111 379101927 /nfs/dbraw/zinc/10/19/27/379101927.db2.gz OAJYMGVJAZXVMS-DKISHCGFSA-N 2 1 258.409 3.116 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC000277222111 379101931 /nfs/dbraw/zinc/10/19/31/379101931.db2.gz OAJYMGVJAZXVMS-DKISHCGFSA-N 2 1 258.409 3.116 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000277434428 379158346 /nfs/dbraw/zinc/15/83/46/379158346.db2.gz JSPUAJVIYCPMTN-HNNXBMFYSA-N 2 1 271.408 3.084 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277394581 379148161 /nfs/dbraw/zinc/14/81/61/379148161.db2.gz ZAKSZRZRSDAPBG-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277394581 379148164 /nfs/dbraw/zinc/14/81/64/379148164.db2.gz ZAKSZRZRSDAPBG-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000347524277 218262882 /nfs/dbraw/zinc/26/28/82/218262882.db2.gz CBYUPIAAHKBDQL-DZGCQCFKSA-N 2 1 264.438 3.273 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000278833652 194174944 /nfs/dbraw/zinc/17/49/44/194174944.db2.gz IZXBLUNNULHTOS-HNNXBMFYSA-N 2 1 271.408 3.365 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2cccnc21 ZINC000349407482 379271543 /nfs/dbraw/zinc/27/15/43/379271543.db2.gz NUIXFJGOGLNTTE-UHFFFAOYSA-N 2 1 271.408 3.008 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](C)CC1CCOCC1 ZINC000349413029 379272994 /nfs/dbraw/zinc/27/29/94/379272994.db2.gz ZTAWYMRTWBOPNB-MRXNPFEDSA-N 2 1 284.488 3.103 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000349417581 379275944 /nfs/dbraw/zinc/27/59/44/379275944.db2.gz LYSNVLYBYCXWGG-INIZCTEOSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000349417581 379275956 /nfs/dbraw/zinc/27/59/56/379275956.db2.gz LYSNVLYBYCXWGG-INIZCTEOSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000278216131 379319402 /nfs/dbraw/zinc/31/94/02/379319402.db2.gz INDNQPYUJAKUOQ-KRWDZBQOSA-N 2 1 284.407 3.118 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC)cc1 ZINC000278925238 194214403 /nfs/dbraw/zinc/21/44/03/194214403.db2.gz IINQMKAJVJQPDT-WMLDXEAASA-N 2 1 299.418 3.195 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000349933598 379451490 /nfs/dbraw/zinc/45/14/90/379451490.db2.gz LLLGLEHVOCYVMZ-SYLAGYCLSA-N 2 1 292.373 3.194 20 0 CGADMP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758901 379572263 /nfs/dbraw/zinc/57/22/63/379572263.db2.gz ZCLVCGGKTVOULW-CQSZACIVSA-N 2 1 299.418 3.307 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCSc3ccccc3)C2)CC1 ZINC000639757638 379572484 /nfs/dbraw/zinc/57/24/84/379572484.db2.gz KBUIAEPLZOCNKP-UHFFFAOYSA-N 2 1 290.476 3.196 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759033 379572571 /nfs/dbraw/zinc/57/25/71/379572571.db2.gz ZYOXWISHXCGFRD-AWEZNQCLSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000639760358 379573144 /nfs/dbraw/zinc/57/31/44/379573144.db2.gz VWRCBQJKFYEAGO-VMPITWQZSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000639757609 379573166 /nfs/dbraw/zinc/57/31/66/379573166.db2.gz JGYUZOUHZALUNQ-QGZVFWFLSA-N 2 1 288.410 3.231 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000639988403 379679111 /nfs/dbraw/zinc/67/91/11/379679111.db2.gz RDYKQCVXZHHOLB-MRXNPFEDSA-N 2 1 262.441 3.436 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640154899 379736489 /nfs/dbraw/zinc/73/64/89/379736489.db2.gz OAIKPPOZGRJTND-MRXNPFEDSA-N 2 1 293.361 3.411 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC000377836731 379748095 /nfs/dbraw/zinc/74/80/95/379748095.db2.gz FBYYPLVJAGHHJQ-MGPQQGTHSA-N 2 1 261.413 3.002 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1C ZINC000352246487 379756678 /nfs/dbraw/zinc/75/66/78/379756678.db2.gz QFIJSOAVKPZKBT-DYEKYZERSA-N 2 1 281.469 3.119 20 0 CGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000640351063 379774035 /nfs/dbraw/zinc/77/40/35/379774035.db2.gz WVBKDYTXMMYKLW-KRWDZBQOSA-N 2 1 297.531 3.017 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000352526704 379844912 /nfs/dbraw/zinc/84/49/12/379844912.db2.gz QUNAXCXQLWWWCD-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(F)c1 ZINC000404657506 379982944 /nfs/dbraw/zinc/98/29/44/379982944.db2.gz OKOXURPNVNUKEJ-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CC1CCC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352814019 379977053 /nfs/dbraw/zinc/97/70/53/379977053.db2.gz JQTMYYKPZVESOP-UHFFFAOYSA-N 2 1 281.469 3.121 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352742340 379934133 /nfs/dbraw/zinc/93/41/33/379934133.db2.gz NNHLXXMOVCWWDL-CHWSQXEVSA-N 2 1 281.469 3.263 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCC23CCCC3)C[NH2+]1 ZINC000399180454 379937404 /nfs/dbraw/zinc/93/74/04/379937404.db2.gz LIYFYVWXRDXLNQ-KFWWJZLASA-N 2 1 250.430 3.220 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000352820384 379981631 /nfs/dbraw/zinc/98/16/31/379981631.db2.gz CRCPZMIFWSZTDQ-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000352820384 379981635 /nfs/dbraw/zinc/98/16/35/379981635.db2.gz CRCPZMIFWSZTDQ-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352777470 379953752 /nfs/dbraw/zinc/95/37/52/379953752.db2.gz BTQVGVQTFDGYPZ-JYAVWHMHSA-N 2 1 281.469 3.119 20 0 CGADMP C[C@H]1CCC[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352778789 379954213 /nfs/dbraw/zinc/95/42/13/379954213.db2.gz ICCRUFVHQFXGBH-STQMWFEESA-N 2 1 281.469 3.121 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352777472 379954842 /nfs/dbraw/zinc/95/48/42/379954842.db2.gz BTQVGVQTFDGYPZ-VXGBXAGGSA-N 2 1 281.469 3.119 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H](C)C1 ZINC000352781490 379956706 /nfs/dbraw/zinc/95/67/06/379956706.db2.gz ZOXSPPSKROHQAN-BZPMIXESSA-N 2 1 281.469 3.119 20 0 CGADMP C[C@@H]1C[C@H](Nc2cc(C(C)(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000641397742 379996674 /nfs/dbraw/zinc/99/66/74/379996674.db2.gz ZRCCGFMNURRIAE-TZMCWYRMSA-N 2 1 261.413 3.274 20 0 CGADMP C[C@@H]1C[C@H](Nc2cc(C(C)(C)C)cc[nH+]2)CC[N@H+]1C ZINC000641397742 379996680 /nfs/dbraw/zinc/99/66/80/379996680.db2.gz ZRCCGFMNURRIAE-TZMCWYRMSA-N 2 1 261.413 3.274 20 0 CGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000282888639 380006667 /nfs/dbraw/zinc/00/66/67/380006667.db2.gz DFQHBXRPNLFXHZ-SFHVURJKSA-N 2 1 297.446 3.405 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000282888639 380006674 /nfs/dbraw/zinc/00/66/74/380006674.db2.gz DFQHBXRPNLFXHZ-SFHVURJKSA-N 2 1 297.446 3.405 20 0 CGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC1 ZINC000282989919 380019827 /nfs/dbraw/zinc/01/98/27/380019827.db2.gz MUKSLTSRIWXSOR-KRWDZBQOSA-N 2 1 272.436 3.287 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC1 ZINC000282989919 380019833 /nfs/dbraw/zinc/01/98/33/380019833.db2.gz MUKSLTSRIWXSOR-KRWDZBQOSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000641732663 380067584 /nfs/dbraw/zinc/06/75/84/380067584.db2.gz JRVIDCIZTHNSLT-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641774627 380090595 /nfs/dbraw/zinc/09/05/95/380090595.db2.gz RHTSVZMAGVCGGQ-YJBOKZPZSA-N 2 1 272.436 3.459 20 0 CGADMP CSC1(C[NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000347896647 218392914 /nfs/dbraw/zinc/39/29/14/218392914.db2.gz FZGONEDPSXUDSO-ZIAGYGMSSA-N 2 1 284.513 3.228 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641777232 380093295 /nfs/dbraw/zinc/09/32/95/380093295.db2.gz MWFFNOCQDABNAA-GOSISDBHSA-N 2 1 270.420 3.379 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641790251 380099614 /nfs/dbraw/zinc/09/96/14/380099614.db2.gz VWBPLZDOAUSZMS-MAUKXSAKSA-N 2 1 272.436 3.459 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C[C@H]1CC=CCC1)C1CCCCC1 ZINC000642627131 380182556 /nfs/dbraw/zinc/18/25/56/380182556.db2.gz AJQWNUIENHPVJP-DOTOQJQBSA-N 2 1 264.457 3.443 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C12CCCC2 ZINC000414198189 380202418 /nfs/dbraw/zinc/20/24/18/380202418.db2.gz WFYQQOYKHPXNFZ-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353945741 380248114 /nfs/dbraw/zinc/24/81/14/380248114.db2.gz BZYKFXRZSJOYJV-UTUOFQBUSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000643058158 380210419 /nfs/dbraw/zinc/21/04/19/380210419.db2.gz JCEIRMGXLVFBRQ-KGLIPLIRSA-N 2 1 276.399 3.135 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)c(C)n1 ZINC000643498663 380321292 /nfs/dbraw/zinc/32/12/92/380321292.db2.gz VZDZQBYBJOLPJX-AWEZNQCLSA-N 2 1 275.440 3.401 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]([NH2+]CC[NH2+]C3CC3)C2)cc1 ZINC000643507322 380329801 /nfs/dbraw/zinc/32/98/01/380329801.db2.gz ZCWNXBQSRGYQTK-AEFFLSMTSA-N 2 1 272.436 3.445 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CCSc3ccccc31)C2 ZINC000279054332 194264762 /nfs/dbraw/zinc/26/47/62/194264762.db2.gz YJGNZDZFHGANAC-ZFWWWQNUSA-N 2 1 299.443 3.272 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)oc1C ZINC000643548875 380364575 /nfs/dbraw/zinc/36/45/75/380364575.db2.gz WSZPUXLBUOSMJM-GXTWGEPZSA-N 2 1 262.397 3.222 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414687917 380375085 /nfs/dbraw/zinc/37/50/85/380375085.db2.gz CSNHTMLGGGQRDR-LJISPDSOSA-N 2 1 252.446 3.274 20 0 CGADMP COc1cccc(C2CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000414689084 380375241 /nfs/dbraw/zinc/37/52/41/380375241.db2.gz FOIKOJQOSBRRCB-KRWDZBQOSA-N 2 1 290.451 3.248 20 0 CGADMP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCC[NH3+] ZINC000414706512 380381722 /nfs/dbraw/zinc/38/17/22/380381722.db2.gz YAOVXBNEGQGQEM-AWEZNQCLSA-N 2 1 254.805 3.318 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCCCc2ccccc2)CC[NH2+]1 ZINC000414709076 380383469 /nfs/dbraw/zinc/38/34/69/380383469.db2.gz QWOFTNBKRMGETI-AEFFLSMTSA-N 2 1 274.452 3.329 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000414715278 380386171 /nfs/dbraw/zinc/38/61/71/380386171.db2.gz MUPVPUWKXWQVLT-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)(c3ccccc3)C2)CC[NH2+]1 ZINC000414734324 380389281 /nfs/dbraw/zinc/38/92/81/380389281.db2.gz DNBVYKRHTUYLFG-SOLBZPMBSA-N 2 1 272.436 3.038 20 0 CGADMP Cc1ccc(CCC[NH2+]CC[N@@H+](C)C2CCCCC2)cn1 ZINC000354134910 380340501 /nfs/dbraw/zinc/34/05/01/380340501.db2.gz VLULDLBQTIUIMJ-UHFFFAOYSA-N 3 1 289.467 3.177 20 0 CGADMP Cc1ccc(CCC[NH2+]CC[N@H+](C)C2CCCCC2)cn1 ZINC000354134910 380340506 /nfs/dbraw/zinc/34/05/06/380340506.db2.gz VLULDLBQTIUIMJ-UHFFFAOYSA-N 3 1 289.467 3.177 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(OCc2ccccc2)c1 ZINC000643528195 380344185 /nfs/dbraw/zinc/34/41/85/380344185.db2.gz FIZGANQYMSLDOX-LSDHHAIUSA-N 2 1 284.403 3.263 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1C(F)(F)F ZINC000414657599 380357028 /nfs/dbraw/zinc/35/70/28/380357028.db2.gz KOWZDEIBMLMAHC-BXUZGUMPSA-N 2 1 286.341 3.183 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CCC1 ZINC000354183321 380357657 /nfs/dbraw/zinc/35/76/57/380357657.db2.gz ZJSGYCRMUGKKHW-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CCC1 ZINC000354183321 380357660 /nfs/dbraw/zinc/35/76/60/380357660.db2.gz ZJSGYCRMUGKKHW-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](Cc2cccc(F)c2)C2CC2)CC[NH2+]1 ZINC000414668536 380360304 /nfs/dbraw/zinc/36/03/04/380360304.db2.gz AEAFHWDYDDMKQI-ZFWWWQNUSA-N 2 1 276.399 3.178 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643547204 380361775 /nfs/dbraw/zinc/36/17/75/380361775.db2.gz AZVZHRLVSQMFOD-RDJZCZTQSA-N 2 1 287.451 3.433 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414813600 380423855 /nfs/dbraw/zinc/42/38/55/380423855.db2.gz MQLHOYHMGNQUBF-GJZGRUSLSA-N 2 1 299.462 3.441 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414818794 380430780 /nfs/dbraw/zinc/43/07/80/380430780.db2.gz WNWQTSMZBRIJOW-ZDUSSCGKSA-N 2 1 277.437 3.212 20 0 CGADMP C[NH2+]CCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414856476 380457733 /nfs/dbraw/zinc/45/77/33/380457733.db2.gz AKQWBUNDIZQKQQ-UHFFFAOYSA-N 2 1 280.721 3.058 20 0 CGADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)Cc1ccccc1 ZINC000414851798 380453974 /nfs/dbraw/zinc/45/39/74/380453974.db2.gz PRPQCNGMIHWRJX-CRAIPNDOSA-N 2 1 274.452 3.362 20 0 CGADMP Clc1ccsc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772798 380399149 /nfs/dbraw/zinc/39/91/49/380399149.db2.gz CMJFDPHOGWQIET-RYUDHWBXSA-N 2 1 284.856 3.223 20 0 CGADMP CSc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000414853171 380455551 /nfs/dbraw/zinc/45/55/51/380455551.db2.gz SANZDWUCNASFGL-INIZCTEOSA-N 2 1 278.465 3.406 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414777229 380401321 /nfs/dbraw/zinc/40/13/21/380401321.db2.gz HUHRVXMODWJULU-OLZOCXBDSA-N 2 1 296.817 3.301 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414777233 380401474 /nfs/dbraw/zinc/40/14/74/380401474.db2.gz HUHRVXMODWJULU-STQMWFEESA-N 2 1 296.817 3.301 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782253 380403228 /nfs/dbraw/zinc/40/32/28/380403228.db2.gz ODCTZBDYEORAHH-NZSAHSFTSA-N 2 1 286.463 3.187 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc2ccccc2c1 ZINC000414852703 380456099 /nfs/dbraw/zinc/45/60/99/380456099.db2.gz RGZUJTBABPQRNC-QGZVFWFLSA-N 2 1 256.393 3.303 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414802248 380414283 /nfs/dbraw/zinc/41/42/83/380414283.db2.gz VIJLRFYWKRXKKA-LBPRGKRZSA-N 2 1 294.748 3.432 20 0 CGADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414807260 380420329 /nfs/dbraw/zinc/42/03/29/380420329.db2.gz NUHRJQHPBSVMOX-XPTSAGLGSA-N 2 1 287.234 3.251 20 0 CGADMP Fc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000414906255 380484591 /nfs/dbraw/zinc/48/45/91/380484591.db2.gz PEHUZVNMHQSDJY-CYBMUJFWSA-N 2 1 290.304 3.076 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[NH2+]1 ZINC000414943958 380499542 /nfs/dbraw/zinc/49/95/42/380499542.db2.gz FZNMTVQTFPZCMJ-GOEBONIOSA-N 2 1 288.435 3.238 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268792004 190433701 /nfs/dbraw/zinc/43/37/01/190433701.db2.gz GKTMTZUBYMOAKI-JOCBIADPSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268792004 190433702 /nfs/dbraw/zinc/43/37/02/190433702.db2.gz GKTMTZUBYMOAKI-JOCBIADPSA-N 2 1 272.436 3.285 20 0 CGADMP CCC[NH2+]CC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414871857 380466803 /nfs/dbraw/zinc/46/68/03/380466803.db2.gz ORLRVSGYUYOIRV-LBPRGKRZSA-N 2 1 288.357 3.398 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880600 380472624 /nfs/dbraw/zinc/47/26/24/380472624.db2.gz QMZJGWRBOCNXHC-WBVHZDCISA-N 2 1 289.467 3.366 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417347448 380601467 /nfs/dbraw/zinc/60/14/67/380601467.db2.gz XFFBZUAMVXZFOM-KWCYVHTRSA-N 2 1 275.421 3.035 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)[C@@H](C)C1 ZINC000645503496 380694399 /nfs/dbraw/zinc/69/43/99/380694399.db2.gz MMKNNIKVSGKMKQ-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP c1cnc2c(c1)cccc2C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355593650 380721855 /nfs/dbraw/zinc/72/18/55/380721855.db2.gz CUUVYXUVHLYMJM-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000572264288 322328627 /nfs/dbraw/zinc/32/86/27/322328627.db2.gz HBEUYFHQYXLKBS-ZDUSSCGKSA-N 2 1 277.437 3.206 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000572264288 322328628 /nfs/dbraw/zinc/32/86/28/322328628.db2.gz HBEUYFHQYXLKBS-ZDUSSCGKSA-N 2 1 277.437 3.206 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000356704398 380829662 /nfs/dbraw/zinc/82/96/62/380829662.db2.gz VUTJPRWDFSKFEH-WMLDXEAASA-N 2 1 290.426 3.078 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420293651 380843932 /nfs/dbraw/zinc/84/39/32/380843932.db2.gz AAVHDHVRZFMMFL-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc2c(c1)CCC[C@]21CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420307580 380847100 /nfs/dbraw/zinc/84/71/00/380847100.db2.gz RLPZQHNMGPILAY-YLJYHZDGSA-N 2 1 298.474 3.356 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327201 380847874 /nfs/dbraw/zinc/84/78/74/380847874.db2.gz KZDKAVGLIQRZFJ-LNLFQRSKSA-N 2 1 284.447 3.386 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420313180 380849217 /nfs/dbraw/zinc/84/92/17/380849217.db2.gz XRCJGGOCYPKAKT-HOTGVXAUSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420314610 380849454 /nfs/dbraw/zinc/84/94/54/380849454.db2.gz ZEBQXODGSDFZTF-YESZJQIVSA-N 2 1 272.436 3.172 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000348362914 218590735 /nfs/dbraw/zinc/59/07/35/218590735.db2.gz CVFXOKWLTYELSF-PBHICJAKSA-N 2 1 293.430 3.211 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCCOc2ccccc2)CC1 ZINC000357594157 381223190 /nfs/dbraw/zinc/22/31/90/381223190.db2.gz DLXMYZHPYRXUGA-UHFFFAOYSA-N 2 1 290.451 3.262 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCCOc2ccccc2)CC1 ZINC000357594157 381223199 /nfs/dbraw/zinc/22/31/99/381223199.db2.gz DLXMYZHPYRXUGA-UHFFFAOYSA-N 2 1 290.451 3.262 20 0 CGADMP CC(C)(C[NH2+]Cc1cccc(F)c1)C[NH+]1CCCC1 ZINC000360154382 381461162 /nfs/dbraw/zinc/46/11/62/381461162.db2.gz QKTPSAUQLGTDDE-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC12CCCCC2 ZINC000362107105 381884605 /nfs/dbraw/zinc/88/46/05/381884605.db2.gz TWTMVLFDUSUFAP-OAHLLOKOSA-N 2 1 250.430 3.269 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC12CCCCC2 ZINC000362107105 381884608 /nfs/dbraw/zinc/88/46/08/381884608.db2.gz TWTMVLFDUSUFAP-OAHLLOKOSA-N 2 1 250.430 3.269 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC12CCCCC2 ZINC000362107105 381884613 /nfs/dbraw/zinc/88/46/13/381884613.db2.gz TWTMVLFDUSUFAP-OAHLLOKOSA-N 2 1 250.430 3.269 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000361767467 381867929 /nfs/dbraw/zinc/86/79/29/381867929.db2.gz BPKCISCKFFPKOS-RWMBFGLXSA-N 2 1 293.480 3.155 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000361767467 381867936 /nfs/dbraw/zinc/86/79/36/381867936.db2.gz BPKCISCKFFPKOS-RWMBFGLXSA-N 2 1 293.480 3.155 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363412951 382218200 /nfs/dbraw/zinc/21/82/00/382218200.db2.gz WMFYZXYKCQOQRY-AWEZNQCLSA-N 2 1 285.366 3.048 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363412951 382218207 /nfs/dbraw/zinc/21/82/07/382218207.db2.gz WMFYZXYKCQOQRY-AWEZNQCLSA-N 2 1 285.366 3.048 20 0 CGADMP CSC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000365619004 382290584 /nfs/dbraw/zinc/29/05/84/382290584.db2.gz QDJLOYZKYSJITQ-HOCLYGCPSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000365619004 382290587 /nfs/dbraw/zinc/29/05/87/382290587.db2.gz QDJLOYZKYSJITQ-HOCLYGCPSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000365619004 382290593 /nfs/dbraw/zinc/29/05/93/382290593.db2.gz QDJLOYZKYSJITQ-HOCLYGCPSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000365619004 382290599 /nfs/dbraw/zinc/29/05/99/382290599.db2.gz QDJLOYZKYSJITQ-HOCLYGCPSA-N 2 1 294.508 3.221 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000367897214 382359704 /nfs/dbraw/zinc/35/97/04/382359704.db2.gz LMRJJSGDMKTJQH-WBVHZDCISA-N 2 1 275.440 3.196 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000367897214 382359707 /nfs/dbraw/zinc/35/97/07/382359707.db2.gz LMRJJSGDMKTJQH-WBVHZDCISA-N 2 1 275.440 3.196 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000251873167 542348698 /nfs/dbraw/zinc/34/86/98/542348698.db2.gz UPAKUWHGMUKPFF-COXVUDFISA-N 2 1 258.409 3.123 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CC[C@H]1[NH3+] ZINC000251599997 542346878 /nfs/dbraw/zinc/34/68/78/542346878.db2.gz DBRZLOWNGJDLAF-SUMWQHHRSA-N 2 1 258.409 3.123 20 0 CGADMP CC[C@@H]1C[N@@H+](CC[C@H](C)c2ccccc2)CC[C@H]1[NH3+] ZINC000251637318 542347387 /nfs/dbraw/zinc/34/73/87/542347387.db2.gz FTSIQFUDINWYRH-ZMSDIMECSA-N 2 1 260.425 3.239 20 0 CGADMP CSc1ccccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000358069860 533040424 /nfs/dbraw/zinc/04/04/24/533040424.db2.gz TUFPLWFELLZJJZ-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000358069860 533040427 /nfs/dbraw/zinc/04/04/27/533040427.db2.gz TUFPLWFELLZJJZ-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000358069860 533040434 /nfs/dbraw/zinc/04/04/34/533040434.db2.gz TUFPLWFELLZJJZ-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000358069860 533040436 /nfs/dbraw/zinc/04/04/36/533040436.db2.gz TUFPLWFELLZJJZ-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743213 220293444 /nfs/dbraw/zinc/29/34/44/220293444.db2.gz BOGOFHHWTYOZHZ-PBHICJAKSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743213 220293450 /nfs/dbraw/zinc/29/34/50/220293450.db2.gz BOGOFHHWTYOZHZ-PBHICJAKSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743213 220293453 /nfs/dbraw/zinc/29/34/53/220293453.db2.gz BOGOFHHWTYOZHZ-PBHICJAKSA-N 2 1 285.435 3.473 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745334 220297314 /nfs/dbraw/zinc/29/73/14/220297314.db2.gz JCFIHWPFSFKPIL-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745334 220297318 /nfs/dbraw/zinc/29/73/18/220297318.db2.gz JCFIHWPFSFKPIL-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745334 220297321 /nfs/dbraw/zinc/29/73/21/220297321.db2.gz JCFIHWPFSFKPIL-BEFAXECRSA-N 2 1 286.463 3.337 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccsc2)C[C@H]1C ZINC000353753510 220304504 /nfs/dbraw/zinc/30/45/04/220304504.db2.gz XCJHFXYIUYFOGX-TZMCWYRMSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2)C[C@H]1C ZINC000353753510 220304507 /nfs/dbraw/zinc/30/45/07/220304507.db2.gz XCJHFXYIUYFOGX-TZMCWYRMSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2)C[C@H]1C ZINC000353753510 220304511 /nfs/dbraw/zinc/30/45/11/220304511.db2.gz XCJHFXYIUYFOGX-TZMCWYRMSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2)C[C@H]1C ZINC000353753510 220304515 /nfs/dbraw/zinc/30/45/15/220304515.db2.gz XCJHFXYIUYFOGX-TZMCWYRMSA-N 2 1 252.427 3.053 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1F ZINC000423267141 533173038 /nfs/dbraw/zinc/17/30/38/533173038.db2.gz SVBLIAUHVRAMFK-LRDDRELGSA-N 2 1 294.414 3.393 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(CC)CC ZINC000339068181 542485689 /nfs/dbraw/zinc/48/56/89/542485689.db2.gz LXOBKOKATWNBSU-VVLHAWIVSA-N 2 1 294.483 3.187 20 0 CGADMP Fc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339068082 542486249 /nfs/dbraw/zinc/48/62/49/542486249.db2.gz NCWYLZYAPIZDPL-SJORKVTESA-N 2 1 288.410 3.074 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000340320844 542490364 /nfs/dbraw/zinc/49/03/64/542490364.db2.gz FHLHEVAEZOEALM-XHSDSOJGSA-N 2 1 258.409 3.210 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000340320844 542490369 /nfs/dbraw/zinc/49/03/69/542490369.db2.gz FHLHEVAEZOEALM-XHSDSOJGSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348107739 542515122 /nfs/dbraw/zinc/51/51/22/542515122.db2.gz QPFCEHGHWSOEKM-HYVNUMGLSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000227728392 260038655 /nfs/dbraw/zinc/03/86/55/260038655.db2.gz GCEFZJSLGJCHSL-LVQVYYBASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000357778243 533378240 /nfs/dbraw/zinc/37/82/40/533378240.db2.gz MOMIJHHHJKTLJV-UONOGXRCSA-N 2 1 281.469 3.448 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414186891 533415924 /nfs/dbraw/zinc/41/59/24/533415924.db2.gz PPOGFZQBFCDFDV-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423365216 533521477 /nfs/dbraw/zinc/52/14/77/533521477.db2.gz WHAGKOFDPPVQLB-LALPHHSUSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1Cl ZINC000423373156 533525410 /nfs/dbraw/zinc/52/54/10/533525410.db2.gz IULFWBUYCPWQKP-IJLUTSLNSA-N 2 1 252.789 3.131 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000423269298 533510004 /nfs/dbraw/zinc/51/00/04/533510004.db2.gz FHKFQUSIYOBMJZ-ACJLOTCBSA-N 2 1 281.403 3.137 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423279876 533536898 /nfs/dbraw/zinc/53/68/98/533536898.db2.gz RXVADLLAJZCGPB-NOZJJQNGSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2ccccc2c1 ZINC000423281659 533537440 /nfs/dbraw/zinc/53/74/40/533537440.db2.gz UIJHTIXAJYLKKQ-SJKOYZFVSA-N 2 1 254.377 3.228 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000359513189 533669508 /nfs/dbraw/zinc/66/95/08/533669508.db2.gz FLJKKGLXESSONH-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC1(C)C ZINC000397784406 542618133 /nfs/dbraw/zinc/61/81/33/542618133.db2.gz JTXJAVXGYLQFCY-WFDRTZIDSA-N 2 1 264.457 3.416 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397784406 542618137 /nfs/dbraw/zinc/61/81/37/542618137.db2.gz JTXJAVXGYLQFCY-WFDRTZIDSA-N 2 1 264.457 3.416 20 0 CGADMP C[N@@H+](CCC(C)(C)C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000399896798 542621055 /nfs/dbraw/zinc/62/10/55/542621055.db2.gz RETNPLFEEIASOQ-UHFFFAOYSA-N 2 1 260.425 3.200 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(-c2ccccc2)c1)C1CC1 ZINC000414809508 542639552 /nfs/dbraw/zinc/63/95/52/542639552.db2.gz UHWVAMOADTYLQJ-SFHVURJKSA-N 2 1 266.388 3.181 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000414922895 542640364 /nfs/dbraw/zinc/64/03/64/542640364.db2.gz HROJZTPNAIEPGK-KGLIPLIRSA-N 2 1 287.432 3.170 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000054243947 392090284 /nfs/dbraw/zinc/09/02/84/392090284.db2.gz YNCHFLSNYRLWMY-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000049717074 392058809 /nfs/dbraw/zinc/05/88/09/392058809.db2.gz ZGOAOEJFSQANJU-LBPRGKRZSA-N 2 1 252.427 3.131 20 0 CGADMP c1ccc(C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000037141040 285472001 /nfs/dbraw/zinc/47/20/01/285472001.db2.gz OHHNDLTVHDCNFO-UHFFFAOYSA-N 2 1 270.420 3.149 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000071141999 392188045 /nfs/dbraw/zinc/18/80/45/392188045.db2.gz FLUOHOSPQODXNT-NWDGAFQWSA-N 2 1 286.341 3.308 20 0 CGADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000078617773 392219748 /nfs/dbraw/zinc/21/97/48/392219748.db2.gz FJLJXYXLXBVMNM-CYBMUJFWSA-N 2 1 289.810 3.419 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2c(s1)CCC2 ZINC000361754235 392313999 /nfs/dbraw/zinc/31/39/99/392313999.db2.gz MVEJNJNQNVQSIR-SGMGOOAPSA-N 2 1 278.465 3.370 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2c(s1)CCC2 ZINC000361754235 392314004 /nfs/dbraw/zinc/31/40/04/392314004.db2.gz MVEJNJNQNVQSIR-SGMGOOAPSA-N 2 1 278.465 3.370 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246206720 131092781 /nfs/dbraw/zinc/09/27/81/131092781.db2.gz XAGSUFTYHBXNAD-OLZOCXBDSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246206720 131092782 /nfs/dbraw/zinc/09/27/82/131092782.db2.gz XAGSUFTYHBXNAD-OLZOCXBDSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246206720 131092783 /nfs/dbraw/zinc/09/27/83/131092783.db2.gz XAGSUFTYHBXNAD-OLZOCXBDSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246206720 131092784 /nfs/dbraw/zinc/09/27/84/131092784.db2.gz XAGSUFTYHBXNAD-OLZOCXBDSA-N 2 1 282.378 3.299 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000249384313 131121609 /nfs/dbraw/zinc/12/16/09/131121609.db2.gz XCLDRHAMHUKFBP-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361931800 392367777 /nfs/dbraw/zinc/36/77/77/392367777.db2.gz YXPRZMOZCZBXGB-WMLDXEAASA-N 2 1 288.435 3.234 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361931800 392367785 /nfs/dbraw/zinc/36/77/85/392367785.db2.gz YXPRZMOZCZBXGB-WMLDXEAASA-N 2 1 288.435 3.234 20 0 CGADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453257096 542681692 /nfs/dbraw/zinc/68/16/92/542681692.db2.gz UTBTUECZFMTGCV-KURKYZTESA-N 2 1 290.451 3.227 20 0 CGADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453257096 542681695 /nfs/dbraw/zinc/68/16/95/542681695.db2.gz UTBTUECZFMTGCV-KURKYZTESA-N 2 1 290.451 3.227 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCCNc1[nH+]cnc2[nH]ccc21 ZINC000263733919 131318889 /nfs/dbraw/zinc/31/88/89/131318889.db2.gz CURDCXJQURMZCD-CYBMUJFWSA-N 2 1 287.411 3.024 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCCNc1[nH+]cnc2[nH]ccc21 ZINC000263733919 131318891 /nfs/dbraw/zinc/31/88/91/131318891.db2.gz CURDCXJQURMZCD-CYBMUJFWSA-N 2 1 287.411 3.024 20 0 CGADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119638682 392396022 /nfs/dbraw/zinc/39/60/22/392396022.db2.gz ATNKMWURVXNSBU-KRWDZBQOSA-N 2 1 274.383 3.029 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125598295 392440040 /nfs/dbraw/zinc/44/00/40/392440040.db2.gz NMHJHQACLXFWCC-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125598295 392440042 /nfs/dbraw/zinc/44/00/42/392440042.db2.gz NMHJHQACLXFWCC-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125598295 392440050 /nfs/dbraw/zinc/44/00/50/392440050.db2.gz NMHJHQACLXFWCC-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000131499676 392457273 /nfs/dbraw/zinc/45/72/73/392457273.db2.gz NOORJRXXGFHGIM-CKEIUWERSA-N 2 1 292.442 3.422 20 0 CGADMP CC(C)SCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367275161 392475064 /nfs/dbraw/zinc/47/50/64/392475064.db2.gz RZBGOTAHYPRPAU-GDBMZVCRSA-N 2 1 282.497 3.077 20 0 CGADMP CC(C)SCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367275161 392475069 /nfs/dbraw/zinc/47/50/69/392475069.db2.gz RZBGOTAHYPRPAU-GDBMZVCRSA-N 2 1 282.497 3.077 20 0 CGADMP CC(C)SCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367275161 392475074 /nfs/dbraw/zinc/47/50/74/392475074.db2.gz RZBGOTAHYPRPAU-GDBMZVCRSA-N 2 1 282.497 3.077 20 0 CGADMP CC[C@@H](CN[C@H]1CCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000151672013 392486209 /nfs/dbraw/zinc/48/62/09/392486209.db2.gz BKGGOUQDPOPSRY-YJBOKZPZSA-N 2 1 288.435 3.147 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295856391 392551986 /nfs/dbraw/zinc/55/19/86/392551986.db2.gz GIKKCIHWEMSGKF-AWEZNQCLSA-N 2 1 295.858 3.432 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295856391 392551989 /nfs/dbraw/zinc/55/19/89/392551989.db2.gz GIKKCIHWEMSGKF-AWEZNQCLSA-N 2 1 295.858 3.432 20 0 CGADMP Cc1cccc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000158375283 392565149 /nfs/dbraw/zinc/56/51/49/392565149.db2.gz CMWWQJJFRHXWJX-OAHLLOKOSA-N 2 1 269.392 3.322 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccccc3Cl)CC[C@@H]21 ZINC000158484258 392568458 /nfs/dbraw/zinc/56/84/58/392568458.db2.gz TUARLYIYIKAAKM-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP Cc1cc(N2CCC([NH2+][C@@H](C)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000162298466 392594356 /nfs/dbraw/zinc/59/43/56/392594356.db2.gz IOTWVJOJVCDKKT-ZDUSSCGKSA-N 2 1 290.455 3.086 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000313410237 392666648 /nfs/dbraw/zinc/66/66/48/392666648.db2.gz NSMZMBPCDSWEON-IMJJTQAJSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000313410237 392666652 /nfs/dbraw/zinc/66/66/52/392666652.db2.gz NSMZMBPCDSWEON-IMJJTQAJSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1occc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000321047075 392672906 /nfs/dbraw/zinc/67/29/06/392672906.db2.gz BKZURENYUVETQK-UHFFFAOYSA-N 2 1 264.413 3.332 20 0 CGADMP Cc1occc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000321047075 392672912 /nfs/dbraw/zinc/67/29/12/392672912.db2.gz BKZURENYUVETQK-UHFFFAOYSA-N 2 1 264.413 3.332 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC[N@@H+]1C ZINC000647331317 392675490 /nfs/dbraw/zinc/67/54/90/392675490.db2.gz YJVPONATBUSANO-BBRMVZONSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC[N@H+]1C ZINC000647331317 392675497 /nfs/dbraw/zinc/67/54/97/392675497.db2.gz YJVPONATBUSANO-BBRMVZONSA-N 2 1 276.399 3.277 20 0 CGADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CCC2)c1 ZINC000647332673 392679941 /nfs/dbraw/zinc/67/99/41/392679941.db2.gz BXEBTXSVDYOFAL-NVXWUHKLSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CCC2)c1 ZINC000647332673 392679946 /nfs/dbraw/zinc/67/99/46/392679946.db2.gz BXEBTXSVDYOFAL-NVXWUHKLSA-N 2 1 272.436 3.447 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647280950 392633540 /nfs/dbraw/zinc/63/35/40/392633540.db2.gz OPXPPRKULWKFBQ-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)ccc2cn1 ZINC000647479761 392735043 /nfs/dbraw/zinc/73/50/43/392735043.db2.gz TTXFDCJGXIPQSN-MOPGFXCFSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482673 392736521 /nfs/dbraw/zinc/73/65/21/392736521.db2.gz XMSCGBIEMOWMPC-UHFFFAOYSA-N 2 1 278.827 3.365 20 0 CGADMP Fc1ccc(/C=C\C[N@H+](C2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC000647482611 392737636 /nfs/dbraw/zinc/73/76/36/392737636.db2.gz SLSHKUDVRFARNM-UPHRSURJSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C\C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC000647482611 392737644 /nfs/dbraw/zinc/73/76/44/392737644.db2.gz SLSHKUDVRFARNM-UPHRSURJSA-N 2 1 292.373 3.194 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000647497555 392740692 /nfs/dbraw/zinc/74/06/92/392740692.db2.gz MBVJPRXNNMKWDY-IAGOWNOFSA-N 2 1 260.425 3.198 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H](C)CCc2ccccc2)CC[C@H]1[NH3+] ZINC000647499105 392742233 /nfs/dbraw/zinc/74/22/33/392742233.db2.gz ZNPBSZWFGRNXRQ-CGTJXYLNSA-N 2 1 274.452 3.315 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccccc2OC(C)C)CC[C@H]1[NH3+] ZINC000647498423 392742550 /nfs/dbraw/zinc/74/25/50/392742550.db2.gz GWVHVLGBHOJOAI-GDBMZVCRSA-N 2 1 276.424 3.033 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OC(C)C)CC[C@H]1[NH3+] ZINC000647498423 392742551 /nfs/dbraw/zinc/74/25/51/392742551.db2.gz GWVHVLGBHOJOAI-GDBMZVCRSA-N 2 1 276.424 3.033 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543846 392761090 /nfs/dbraw/zinc/76/10/90/392761090.db2.gz SUMMCEFSSNDDOR-GJZGRUSLSA-N 2 1 294.389 3.176 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000647552517 392763763 /nfs/dbraw/zinc/76/37/63/392763763.db2.gz DJBMHAXFCQFMQL-IUCAKERBSA-N 2 1 292.757 3.157 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731300 392713301 /nfs/dbraw/zinc/71/33/01/392713301.db2.gz KCEISXRDGHJTGC-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731300 392713308 /nfs/dbraw/zinc/71/33/08/392713308.db2.gz KCEISXRDGHJTGC-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731300 392713314 /nfs/dbraw/zinc/71/33/14/392713314.db2.gz KCEISXRDGHJTGC-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CC1CC1 ZINC000510422367 392798573 /nfs/dbraw/zinc/79/85/73/392798573.db2.gz UNAMEMDIXSCBMX-UHFFFAOYSA-N 2 1 274.452 3.486 20 0 CGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CC1CC1 ZINC000510422367 392798576 /nfs/dbraw/zinc/79/85/76/392798576.db2.gz UNAMEMDIXSCBMX-UHFFFAOYSA-N 2 1 274.452 3.486 20 0 CGADMP C[NH+](CC1CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000510422367 392798579 /nfs/dbraw/zinc/79/85/79/392798579.db2.gz UNAMEMDIXSCBMX-UHFFFAOYSA-N 2 1 274.452 3.486 20 0 CGADMP C[NH+](CC1CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000510422367 392798581 /nfs/dbraw/zinc/79/85/81/392798581.db2.gz UNAMEMDIXSCBMX-UHFFFAOYSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189113387 392804516 /nfs/dbraw/zinc/80/45/16/392804516.db2.gz WZGPKHOLAGDISO-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000189462995 392805952 /nfs/dbraw/zinc/80/59/52/392805952.db2.gz ZYUZDWCXZGYSNX-NXNVCVFFSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000189462995 392805955 /nfs/dbraw/zinc/80/59/55/392805955.db2.gz ZYUZDWCXZGYSNX-NXNVCVFFSA-N 2 1 288.435 3.137 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000510966795 392821619 /nfs/dbraw/zinc/82/16/19/392821619.db2.gz JETVNZITYRAYFC-WBVHZDCISA-N 2 1 290.451 3.177 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000510966795 392821622 /nfs/dbraw/zinc/82/16/22/392821622.db2.gz JETVNZITYRAYFC-WBVHZDCISA-N 2 1 290.451 3.177 20 0 CGADMP CCOc1ccccc1C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647880952 392822253 /nfs/dbraw/zinc/82/22/53/392822253.db2.gz IAZYLCCYYJFJHM-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886666 392826087 /nfs/dbraw/zinc/82/60/87/392826087.db2.gz GXBQLOJLVYCIJK-JZXOWHBKSA-N 2 1 272.436 3.378 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000337495915 392888176 /nfs/dbraw/zinc/88/81/76/392888176.db2.gz FJFQDLBJNJBMDO-DYEKYZERSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000381515941 392909083 /nfs/dbraw/zinc/90/90/83/392909083.db2.gz AHOXNGRIRAXLDL-ZFYHIWFFSA-N 2 1 276.468 3.275 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000525864011 392949569 /nfs/dbraw/zinc/94/95/69/392949569.db2.gz BALOZWDBWSFCKA-HUUCEWRRSA-N 2 1 278.415 3.251 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459778631 392955779 /nfs/dbraw/zinc/95/57/79/392955779.db2.gz LDTBWEFRKNSLGR-OWCLPIDISA-N 2 1 252.446 3.134 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459785738 392955874 /nfs/dbraw/zinc/95/58/74/392955874.db2.gz PDTLPIYPDJYAPH-BHYGNILZSA-N 2 1 264.457 3.300 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000648424200 393010918 /nfs/dbraw/zinc/01/09/18/393010918.db2.gz DUNGKIXSAKFQSN-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000415002569 393087668 /nfs/dbraw/zinc/08/76/68/393087668.db2.gz DWCGMBGIXSKCKQ-GJZGRUSLSA-N 2 1 268.404 3.487 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000415041733 393108817 /nfs/dbraw/zinc/10/88/17/393108817.db2.gz LPVSVICZJMNVDH-CQSZACIVSA-N 2 1 286.341 3.313 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415009838 393092934 /nfs/dbraw/zinc/09/29/34/393092934.db2.gz XRZYMTLXZJSFDW-GDBMZVCRSA-N 2 1 296.405 3.151 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000415011190 393093363 /nfs/dbraw/zinc/09/33/63/393093363.db2.gz QLSYQQWBXLXSBZ-KGLIPLIRSA-N 2 1 270.376 3.304 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)C1CCCC1 ZINC000415043224 393109166 /nfs/dbraw/zinc/10/91/66/393109166.db2.gz ANRPZAUBXBRSSP-GOSISDBHSA-N 2 1 288.435 3.083 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000415016161 393098507 /nfs/dbraw/zinc/09/85/07/393098507.db2.gz ZXLXQIUOHZEEQM-GHMZBOCLSA-N 2 1 278.396 3.380 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000467514304 393103590 /nfs/dbraw/zinc/10/35/90/393103590.db2.gz PZCDETDKBOVTEX-QGZVFWFLSA-N 2 1 274.452 3.283 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000414179922 393042317 /nfs/dbraw/zinc/04/23/17/393042317.db2.gz AZZLRWFZSQOJOF-HSMRXVHUSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414176073 393042426 /nfs/dbraw/zinc/04/24/26/393042426.db2.gz IXQGKKOZJPQOGO-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000246376846 393057320 /nfs/dbraw/zinc/05/73/20/393057320.db2.gz JURMZCLMZVZVLJ-RRFJBIMHSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414954032 393062384 /nfs/dbraw/zinc/06/23/84/393062384.db2.gz MLGWJCYRSLJYOC-OWLYRPNTSA-N 2 1 272.436 3.128 20 0 CGADMP CC/C=C/CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000546643318 393064199 /nfs/dbraw/zinc/06/41/99/393064199.db2.gz SBOIYGVHSLSSFE-VOTSOKGWSA-N 2 1 252.446 3.395 20 0 CGADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000415049288 393112811 /nfs/dbraw/zinc/11/28/11/393112811.db2.gz XTTQMJQJWBSOFJ-AWEZNQCLSA-N 2 1 284.806 3.142 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000348111109 393114048 /nfs/dbraw/zinc/11/40/48/393114048.db2.gz VMRQBNMUJXOLTH-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)C1CCCC1 ZINC000415065500 393124157 /nfs/dbraw/zinc/12/41/57/393124157.db2.gz MXTWIBTVEVEAQX-WUTVXBCWSA-N 2 1 280.362 3.085 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415069617 393128386 /nfs/dbraw/zinc/12/83/86/393128386.db2.gz SPPLDVDBEFEDJJ-QGZVFWFLSA-N 2 1 276.424 3.081 20 0 CGADMP CCC1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000261580015 393140347 /nfs/dbraw/zinc/14/03/47/393140347.db2.gz PWLWJIWLFWFPKJ-YHNBSYBMSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1noc(CC)c1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415089323 393140659 /nfs/dbraw/zinc/14/06/59/393140659.db2.gz WERJUXULMKKQPE-ZIAGYGMSSA-N 2 1 293.455 3.200 20 0 CGADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC2(CCCCC2)CC1 ZINC000261956133 393143026 /nfs/dbraw/zinc/14/30/26/393143026.db2.gz OPSXVEIJTCCRDJ-UHFFFAOYSA-N 2 1 264.457 3.422 20 0 CGADMP C[C@]1(C[NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000415119829 393151866 /nfs/dbraw/zinc/15/18/66/393151866.db2.gz XPVKACMIXGUFAD-ZDUSSCGKSA-N 2 1 273.207 3.083 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000469849809 393222251 /nfs/dbraw/zinc/22/22/51/393222251.db2.gz CCROANZPMBDGOP-GDBMZVCRSA-N 2 1 288.435 3.177 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000270612781 393239590 /nfs/dbraw/zinc/23/95/90/393239590.db2.gz IQVWUTFVBRHDCJ-CYBMUJFWSA-N 2 1 273.380 3.400 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000270612781 393239597 /nfs/dbraw/zinc/23/95/97/393239597.db2.gz IQVWUTFVBRHDCJ-CYBMUJFWSA-N 2 1 273.380 3.400 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000270612783 393239925 /nfs/dbraw/zinc/23/99/25/393239925.db2.gz IQVWUTFVBRHDCJ-ZDUSSCGKSA-N 2 1 273.380 3.400 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000270612783 393239930 /nfs/dbraw/zinc/23/99/30/393239930.db2.gz IQVWUTFVBRHDCJ-ZDUSSCGKSA-N 2 1 273.380 3.400 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271040957 393244036 /nfs/dbraw/zinc/24/40/36/393244036.db2.gz MSHBGPGTMKOWEH-UHFFFAOYSA-N 2 1 278.415 3.439 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271040957 393244047 /nfs/dbraw/zinc/24/40/47/393244047.db2.gz MSHBGPGTMKOWEH-UHFFFAOYSA-N 2 1 278.415 3.439 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000352214513 393200500 /nfs/dbraw/zinc/20/05/00/393200500.db2.gz ZSVHRNHWSGISOH-OAGGEKHMSA-N 2 1 290.451 3.033 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000352214513 393200505 /nfs/dbraw/zinc/20/05/05/393200505.db2.gz ZSVHRNHWSGISOH-OAGGEKHMSA-N 2 1 290.451 3.033 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470968850 393271741 /nfs/dbraw/zinc/27/17/41/393271741.db2.gz SCLVZTQEXCSGIP-WBVHZDCISA-N 2 1 272.436 3.411 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470968850 393271746 /nfs/dbraw/zinc/27/17/46/393271746.db2.gz SCLVZTQEXCSGIP-WBVHZDCISA-N 2 1 272.436 3.411 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470968850 393271750 /nfs/dbraw/zinc/27/17/50/393271750.db2.gz SCLVZTQEXCSGIP-WBVHZDCISA-N 2 1 272.436 3.411 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000475348352 393394416 /nfs/dbraw/zinc/39/44/16/393394416.db2.gz CYOZHRZFVAREPP-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCc1ccccc1F ZINC000475355216 393396027 /nfs/dbraw/zinc/39/60/27/393396027.db2.gz UUYOZMCGEVDQOW-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP C[NH2+]CCC[N@@H+](C)CCCc1cccc2ccccc21 ZINC000420387385 393480545 /nfs/dbraw/zinc/48/05/45/393480545.db2.gz KFUICPDGGGIQOD-UHFFFAOYSA-N 2 1 270.420 3.314 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420379975 393480588 /nfs/dbraw/zinc/48/05/88/393480588.db2.gz BXIDVHFCRFSVDN-FUHWJXTLSA-N 2 1 290.426 3.222 20 0 CGADMP Clc1ccccc1C[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420298290 393453585 /nfs/dbraw/zinc/45/35/85/393453585.db2.gz DWQVSMFEAOXUPP-GDBMZVCRSA-N 2 1 292.854 3.347 20 0 CGADMP Cc1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)cc1C ZINC000420300822 393455971 /nfs/dbraw/zinc/45/59/71/393455971.db2.gz KRKKERQRSOLMJJ-MRXNPFEDSA-N 2 1 272.436 3.267 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420299555 393456060 /nfs/dbraw/zinc/45/60/60/393456060.db2.gz GVIGEIMYWYRBPB-QAPCUYQASA-N 2 1 288.435 3.222 20 0 CGADMP CC[N@@H+](CCCOCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000420306540 393457058 /nfs/dbraw/zinc/45/70/58/393457058.db2.gz HUGKNWKKQGQWFD-SFHVURJKSA-N 2 1 290.451 3.057 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420314097 393461384 /nfs/dbraw/zinc/46/13/84/393461384.db2.gz YSNOLVHJDHNQKM-NUJGCVRESA-N 2 1 272.436 3.254 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C2CCC(C)CC2)cc1 ZINC000420317086 393464088 /nfs/dbraw/zinc/46/40/88/393464088.db2.gz NAZYBMUZBWRYKH-ARWYELJZSA-N 2 1 290.451 3.248 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000420320412 393465516 /nfs/dbraw/zinc/46/55/16/393465516.db2.gz QEGFIMJUZNXCHZ-TZMCWYRMSA-N 2 1 296.842 3.296 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000420320412 393465525 /nfs/dbraw/zinc/46/55/25/393465525.db2.gz QEGFIMJUZNXCHZ-TZMCWYRMSA-N 2 1 296.842 3.296 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320239 393466329 /nfs/dbraw/zinc/46/63/29/393466329.db2.gz BBMKMADDYRUMRK-VHDGCEQUSA-N 2 1 294.389 3.347 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429536146 393474988 /nfs/dbraw/zinc/47/49/88/393474988.db2.gz DZXLLDKGCSWYJQ-FUHWJXTLSA-N 2 1 274.452 3.424 20 0 CGADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429534888 393475667 /nfs/dbraw/zinc/47/56/67/393475667.db2.gz KQYOFYOLBFQLAU-QGZVFWFLSA-N 2 1 290.451 3.098 20 0 CGADMP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429534888 393475673 /nfs/dbraw/zinc/47/56/73/393475673.db2.gz KQYOFYOLBFQLAU-QGZVFWFLSA-N 2 1 290.451 3.098 20 0 CGADMP c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H]2CC[NH2+]C2)cc1 ZINC000420365923 393476708 /nfs/dbraw/zinc/47/67/08/393476708.db2.gz TUEJMSMIDKUCGD-XUBOLADHSA-N 2 1 298.474 3.472 20 0 CGADMP Cc1ccccc1CCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420375099 393478391 /nfs/dbraw/zinc/47/83/91/393478391.db2.gz SNSSDCLRVZMQME-GOSISDBHSA-N 2 1 274.452 3.425 20 0 CGADMP CC(C)[NH2+][C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC000649379835 393408710 /nfs/dbraw/zinc/40/87/10/393408710.db2.gz OMFVAZICPOATRD-INIZCTEOSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000649379835 393408714 /nfs/dbraw/zinc/40/87/14/393408714.db2.gz OMFVAZICPOATRD-INIZCTEOSA-N 2 1 250.430 3.339 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccs2)[C@H](c2ccccc2)C1 ZINC000647248499 393410616 /nfs/dbraw/zinc/41/06/16/393410616.db2.gz CJDFZKGCWBSUME-WBVHZDCISA-N 2 1 286.444 3.183 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000356296034 393412138 /nfs/dbraw/zinc/41/21/38/393412138.db2.gz IAUJUEHAGJUMMM-OCCSQVGLSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000356296034 393412141 /nfs/dbraw/zinc/41/21/41/393412141.db2.gz IAUJUEHAGJUMMM-OCCSQVGLSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000356296034 393412145 /nfs/dbraw/zinc/41/21/45/393412145.db2.gz IAUJUEHAGJUMMM-OCCSQVGLSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000356296034 393412152 /nfs/dbraw/zinc/41/21/52/393412152.db2.gz IAUJUEHAGJUMMM-OCCSQVGLSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000356296031 393412391 /nfs/dbraw/zinc/41/23/91/393412391.db2.gz IAUJUEHAGJUMMM-GXTWGEPZSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000356296031 393412393 /nfs/dbraw/zinc/41/23/93/393412393.db2.gz IAUJUEHAGJUMMM-GXTWGEPZSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000356296031 393412397 /nfs/dbraw/zinc/41/23/97/393412397.db2.gz IAUJUEHAGJUMMM-GXTWGEPZSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000356296031 393412399 /nfs/dbraw/zinc/41/23/99/393412399.db2.gz IAUJUEHAGJUMMM-GXTWGEPZSA-N 2 1 296.505 3.386 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000488336134 393491256 /nfs/dbraw/zinc/49/12/56/393491256.db2.gz ZGFROTFDDVDVQZ-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000430226780 393543546 /nfs/dbraw/zinc/54/35/46/393543546.db2.gz PPJMVLXCXRWKIO-DNVCBOLYSA-N 2 1 286.463 3.480 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000430226780 393543548 /nfs/dbraw/zinc/54/35/48/393543548.db2.gz PPJMVLXCXRWKIO-DNVCBOLYSA-N 2 1 286.463 3.480 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCCC3)CC[NH+]1C ZINC000430226780 393543551 /nfs/dbraw/zinc/54/35/51/393543551.db2.gz PPJMVLXCXRWKIO-DNVCBOLYSA-N 2 1 286.463 3.480 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCCC3)CC[NH+]1C ZINC000430226780 393543554 /nfs/dbraw/zinc/54/35/54/393543554.db2.gz PPJMVLXCXRWKIO-DNVCBOLYSA-N 2 1 286.463 3.480 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC2CCCC2)CC1 ZINC000357622843 393512216 /nfs/dbraw/zinc/51/22/16/393512216.db2.gz PIKZMWNDCQQPBY-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066813 393515752 /nfs/dbraw/zinc/51/57/52/393515752.db2.gz AWMSKVQLZBEDNC-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066813 393515755 /nfs/dbraw/zinc/51/57/55/393515755.db2.gz AWMSKVQLZBEDNC-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066813 393515762 /nfs/dbraw/zinc/51/57/62/393515762.db2.gz AWMSKVQLZBEDNC-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066813 393515769 /nfs/dbraw/zinc/51/57/69/393515769.db2.gz AWMSKVQLZBEDNC-KXBFYZLASA-N 2 1 286.463 3.337 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430240343 393547512 /nfs/dbraw/zinc/54/75/12/393547512.db2.gz UNEFAJNANYTGKM-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430240343 393547515 /nfs/dbraw/zinc/54/75/15/393547515.db2.gz UNEFAJNANYTGKM-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430240343 393547518 /nfs/dbraw/zinc/54/75/18/393547518.db2.gz UNEFAJNANYTGKM-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430583715 393578483 /nfs/dbraw/zinc/57/84/83/393578483.db2.gz SVHBQMHNDUWTEX-KRWDZBQOSA-N 2 1 278.440 3.035 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000430705384 393587990 /nfs/dbraw/zinc/58/79/90/393587990.db2.gz LFMJUMHOVNTTPQ-KLZNWCGWSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432418150 393611711 /nfs/dbraw/zinc/61/17/11/393611711.db2.gz QJSNUDAJJZCFLH-AXRJEEMOSA-N 2 1 296.499 3.289 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCF)CC[N@@H+]1Cc1ccccc1 ZINC000361000918 393635863 /nfs/dbraw/zinc/63/58/63/393635863.db2.gz CYTLCBSNMJYCRN-WBVHZDCISA-N 2 1 278.415 3.379 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCF)CC[N@H+]1Cc1ccccc1 ZINC000361000918 393635866 /nfs/dbraw/zinc/63/58/66/393635866.db2.gz CYTLCBSNMJYCRN-WBVHZDCISA-N 2 1 278.415 3.379 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421864681 393637161 /nfs/dbraw/zinc/63/71/61/393637161.db2.gz ZVJBESDCPQMYMN-WBVHZDCISA-N 2 1 289.467 3.039 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421864681 393637163 /nfs/dbraw/zinc/63/71/63/393637163.db2.gz ZVJBESDCPQMYMN-WBVHZDCISA-N 2 1 289.467 3.039 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490593092 393647459 /nfs/dbraw/zinc/64/74/59/393647459.db2.gz MMIJIKZZPBPUFQ-UHFFFAOYSA-N 2 1 283.419 3.250 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423102562 393650265 /nfs/dbraw/zinc/65/02/65/393650265.db2.gz XBECHPDLMGHZTL-KURKYZTESA-N 2 1 293.499 3.033 20 0 CGADMP CC1(C)CC[C@@H]([NH2+]CC[NH3+])c2cc(Br)ccc21 ZINC000423190520 393653495 /nfs/dbraw/zinc/65/34/95/393653495.db2.gz SNLYCRDPQGTWDS-CYBMUJFWSA-N 2 1 297.240 3.110 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423205469 393654575 /nfs/dbraw/zinc/65/45/75/393654575.db2.gz VSTMEVOYJAJSMQ-GFCCVEGCSA-N 2 1 270.829 3.076 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423454505 393667656 /nfs/dbraw/zinc/66/76/56/393667656.db2.gz ZGIXTWGGVOELHS-PKFCDNJMSA-N 2 1 252.789 3.043 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)s1 ZINC000361084687 393668547 /nfs/dbraw/zinc/66/85/47/393668547.db2.gz LVRONCLWDDOKQV-UWVGGRQHSA-N 2 1 281.812 3.264 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423468477 393669342 /nfs/dbraw/zinc/66/93/42/393669342.db2.gz OKFNMXKUUKOZBX-PKOBYXMFSA-N 2 1 298.430 3.306 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423484163 393670426 /nfs/dbraw/zinc/67/04/26/393670426.db2.gz YIYZDJRPIJLUDX-LRDDRELGSA-N 2 1 271.408 3.181 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCC(C(C)C)CC1 ZINC000433148721 393690165 /nfs/dbraw/zinc/69/01/65/393690165.db2.gz HJADJSAFBXSVBD-UHFFFAOYSA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCC(C(C)C)CC1 ZINC000433148721 393690169 /nfs/dbraw/zinc/69/01/69/393690169.db2.gz HJADJSAFBXSVBD-UHFFFAOYSA-N 2 1 263.429 3.338 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000433294870 393708307 /nfs/dbraw/zinc/70/83/07/393708307.db2.gz NPGOESOIFPDMDD-CQSZACIVSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000445904336 393835040 /nfs/dbraw/zinc/83/50/40/393835040.db2.gz PSQILVOGKXJTHE-VXGBXAGGSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495013296 393777124 /nfs/dbraw/zinc/77/71/24/393777124.db2.gz AOYXWLSRCJMMLH-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444592068 393790184 /nfs/dbraw/zinc/79/01/84/393790184.db2.gz FREXRLIMVZYSHN-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSC2CCCCC2)CC[N@@H+]1C ZINC000500092706 393816507 /nfs/dbraw/zinc/81/65/07/393816507.db2.gz PVHICFPFJNVZCH-LSDHHAIUSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSC2CCCCC2)CC[N@H+]1C ZINC000500092706 393816512 /nfs/dbraw/zinc/81/65/12/393816512.db2.gz PVHICFPFJNVZCH-LSDHHAIUSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCSC2CCCCC2)CC[NH+]1C ZINC000500092706 393816516 /nfs/dbraw/zinc/81/65/16/393816516.db2.gz PVHICFPFJNVZCH-LSDHHAIUSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCSC2CCCCC2)CC[NH+]1C ZINC000500092706 393816520 /nfs/dbraw/zinc/81/65/20/393816520.db2.gz PVHICFPFJNVZCH-LSDHHAIUSA-N 2 1 284.513 3.467 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCOC)[NH+](C)C ZINC000502697725 393883003 /nfs/dbraw/zinc/88/30/03/393883003.db2.gz JFKIHTFEYOHYSE-IKGGRYGDSA-N 2 1 284.488 3.148 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CCC1CCCCC1 ZINC000502692615 393883178 /nfs/dbraw/zinc/88/31/78/393883178.db2.gz DBAWXQGAVWKDAS-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CCC1CCCCC1 ZINC000502692615 393883183 /nfs/dbraw/zinc/88/31/83/393883183.db2.gz DBAWXQGAVWKDAS-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CCC1CCCCC1 ZINC000502692615 393883186 /nfs/dbraw/zinc/88/31/86/393883186.db2.gz DBAWXQGAVWKDAS-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000449783851 393944163 /nfs/dbraw/zinc/94/41/63/393944163.db2.gz SFTUGQFMAJJDPO-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000449783851 393944165 /nfs/dbraw/zinc/94/41/65/393944165.db2.gz SFTUGQFMAJJDPO-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450430454 393996781 /nfs/dbraw/zinc/99/67/81/393996781.db2.gz RVFFAKAKXINQGK-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP CCCc1ccc2[nH+]ccc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2c1 ZINC000450485500 394002776 /nfs/dbraw/zinc/00/27/76/394002776.db2.gz PHRDKJBNPYPDOT-IYBDPMFKSA-N 2 1 295.430 3.185 20 0 CGADMP C1=C(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450605217 394029445 /nfs/dbraw/zinc/02/94/45/394029445.db2.gz YUONRRHPSJPHHY-WMZOPIPTSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450605217 394029449 /nfs/dbraw/zinc/02/94/49/394029449.db2.gz YUONRRHPSJPHHY-WMZOPIPTSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000450605217 394029451 /nfs/dbraw/zinc/02/94/51/394029451.db2.gz YUONRRHPSJPHHY-WMZOPIPTSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000450605217 394029453 /nfs/dbraw/zinc/02/94/53/394029453.db2.gz YUONRRHPSJPHHY-WMZOPIPTSA-N 2 1 274.452 3.436 20 0 CGADMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453077799 394163277 /nfs/dbraw/zinc/16/32/77/394163277.db2.gz IJWZKJKJBGYDIF-GVDBMIGSSA-N 2 1 258.409 3.039 20 0 CGADMP CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453602692 394255875 /nfs/dbraw/zinc/25/58/75/394255875.db2.gz ABRRXFQLKABSSN-HIFRSBDPSA-N 2 1 281.469 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453394409 394230358 /nfs/dbraw/zinc/23/03/58/394230358.db2.gz IYICBBZXXVNMJH-IIAWOOMASA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2ccccc2C1)C1CC1 ZINC000453405309 394235912 /nfs/dbraw/zinc/23/59/12/394235912.db2.gz BRADOROZCDAXAA-KRWDZBQOSA-N 2 1 272.436 3.008 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000453453654 394247177 /nfs/dbraw/zinc/24/71/77/394247177.db2.gz SYDLKPRTUWCQIL-DGXTUMSLSA-N 2 1 252.446 3.129 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)C2=CCCC2)s1 ZINC000453575130 394249529 /nfs/dbraw/zinc/24/95/29/394249529.db2.gz CRJQKQFNEUDTRT-UHFFFAOYSA-N 2 1 293.480 3.431 20 0 CGADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1Cl ZINC000453594996 394253286 /nfs/dbraw/zinc/25/32/86/394253286.db2.gz JJJRGMLODUQTRJ-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc(Cl)ccc1F)C1CC1 ZINC000453597042 394253619 /nfs/dbraw/zinc/25/36/19/394253619.db2.gz MWFGELXMLGIKRZ-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP CC(C)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667498083 542878824 /nfs/dbraw/zinc/87/88/24/542878824.db2.gz XWRXTFIXZYTREE-UHFFFAOYSA-N 2 1 284.407 3.278 20 0 CGADMP CCC1(C)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667569158 542891073 /nfs/dbraw/zinc/89/10/73/542891073.db2.gz CDCDGIJSJMIGOU-UHFFFAOYSA-N 2 1 284.407 3.279 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)CC3CC[NH+](C)CC3)cc21 ZINC000667597209 542896294 /nfs/dbraw/zinc/89/62/94/542896294.db2.gz GBDPHPQGJVHORY-UHFFFAOYSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC3(CCCCC3)C2)n1C ZINC000667630389 542900829 /nfs/dbraw/zinc/90/08/29/542900829.db2.gz BXILNGAFUAEFCY-UHFFFAOYSA-N 2 1 261.413 3.275 20 0 CGADMP CC[C@H]1CCCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667654036 542907475 /nfs/dbraw/zinc/90/74/75/542907475.db2.gz RONACEYLYVMEBY-HNNXBMFYSA-N 2 1 284.407 3.422 20 0 CGADMP CC[C@H]1CCCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667654036 542907476 /nfs/dbraw/zinc/90/74/76/542907476.db2.gz RONACEYLYVMEBY-HNNXBMFYSA-N 2 1 284.407 3.422 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681509 542915523 /nfs/dbraw/zinc/91/55/23/542915523.db2.gz LGOAQWVUOMCLCW-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681509 542915527 /nfs/dbraw/zinc/91/55/27/542915527.db2.gz LGOAQWVUOMCLCW-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681509 542915530 /nfs/dbraw/zinc/91/55/30/542915530.db2.gz LGOAQWVUOMCLCW-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681509 542915533 /nfs/dbraw/zinc/91/55/33/542915533.db2.gz LGOAQWVUOMCLCW-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681509 542915535 /nfs/dbraw/zinc/91/55/35/542915535.db2.gz LGOAQWVUOMCLCW-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP CC[C@H](C)C[N@@H+](CC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667688566 542916852 /nfs/dbraw/zinc/91/68/52/542916852.db2.gz XBONSUMPEOLIRA-AWEZNQCLSA-N 2 1 272.396 3.135 20 0 CGADMP CCCCO[C@H]1C[C@H](N(C)Cc2cnc(C)n2C)C1(C)C ZINC000667691980 542918021 /nfs/dbraw/zinc/91/80/21/542918021.db2.gz UVFRMIJPGJXHDY-HOTGVXAUSA-N 2 1 293.455 3.144 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CCCCC1 ZINC000667812740 542931987 /nfs/dbraw/zinc/93/19/87/542931987.db2.gz VJOOUNDAUGAWMW-KBMXLJTQSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CCCCC1 ZINC000667812740 542931989 /nfs/dbraw/zinc/93/19/89/542931989.db2.gz VJOOUNDAUGAWMW-KBMXLJTQSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000549174158 289036832 /nfs/dbraw/zinc/03/68/32/289036832.db2.gz OJCJWDKTNKRVPB-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000549174158 289036833 /nfs/dbraw/zinc/03/68/33/289036833.db2.gz OJCJWDKTNKRVPB-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP c1cc(C[N@@H+](CCC2CC2)CC2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668747758 543054929 /nfs/dbraw/zinc/05/49/29/543054929.db2.gz KNJQMBWJNFLLQU-UHFFFAOYSA-N 2 1 296.418 3.279 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000671755125 543186366 /nfs/dbraw/zinc/18/63/66/543186366.db2.gz OFGSWDMQRRDYMT-QYZOEREBSA-N 2 1 298.474 3.254 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000110978734 397654646 /nfs/dbraw/zinc/65/46/46/397654646.db2.gz FKGSVSIZCOIJBZ-RDJZCZTQSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000110978734 397654650 /nfs/dbraw/zinc/65/46/50/397654650.db2.gz FKGSVSIZCOIJBZ-RDJZCZTQSA-N 2 1 276.399 3.098 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000429514851 292126834 /nfs/dbraw/zinc/12/68/34/292126834.db2.gz MPTVPEOABHJRKQ-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000429514851 292126836 /nfs/dbraw/zinc/12/68/36/292126836.db2.gz MPTVPEOABHJRKQ-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000650710283 397898484 /nfs/dbraw/zinc/89/84/84/397898484.db2.gz KXIWIGMVTFDRII-UONOGXRCSA-N 2 1 292.854 3.301 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)[C@H]1CC[NH3+] ZINC000650712251 397899713 /nfs/dbraw/zinc/89/97/13/397899713.db2.gz XTIXLJBKTIUVNN-KSSFIOAISA-N 2 1 283.419 3.184 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724598 397902481 /nfs/dbraw/zinc/90/24/81/397902481.db2.gz IZRVPTFMJCXXLY-HZMVEIRTSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650724872 397902556 /nfs/dbraw/zinc/90/25/56/397902556.db2.gz NVDCJFRCJUCVJJ-ILOCAZANSA-N 2 1 294.483 3.174 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000675816775 543367092 /nfs/dbraw/zinc/36/70/92/543367092.db2.gz KVIOEPQFYFTKQO-OLZOCXBDSA-N 2 1 277.437 3.110 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000678771889 543555911 /nfs/dbraw/zinc/55/59/11/543555911.db2.gz RMPPWQQIVCBMRW-RKVPGOIHSA-N 2 1 272.436 3.241 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC000679015104 543582011 /nfs/dbraw/zinc/58/20/11/543582011.db2.gz DBJJAYKELZADPU-UHFFFAOYSA-N 2 1 276.399 3.279 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000474867980 286151801 /nfs/dbraw/zinc/15/18/01/286151801.db2.gz KLYXDCBDAKBQPW-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000474867980 286151802 /nfs/dbraw/zinc/15/18/02/286151802.db2.gz KLYXDCBDAKBQPW-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C2CC2)cc1 ZINC000037256100 292259149 /nfs/dbraw/zinc/25/91/49/292259149.db2.gz QWVAHSBAEIWZPW-KRWDZBQOSA-N 2 1 258.409 3.130 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1C ZINC000420302383 292267050 /nfs/dbraw/zinc/26/70/50/292267050.db2.gz JTZKAFBSRFPCEM-FUHWJXTLSA-N 2 1 272.436 3.440 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1F ZINC000423267143 286355701 /nfs/dbraw/zinc/35/57/01/286355701.db2.gz SVBLIAUHVRAMFK-WBMJQRKESA-N 2 1 294.414 3.393 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC[N@@H+]1C ZINC000679017730 543583234 /nfs/dbraw/zinc/58/32/34/543583234.db2.gz YPLSEVQAADYDIO-BBRMVZONSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC[N@H+]1C ZINC000679017730 543583236 /nfs/dbraw/zinc/58/32/36/543583236.db2.gz YPLSEVQAADYDIO-BBRMVZONSA-N 2 1 276.399 3.277 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CCO1 ZINC000070345379 286988253 /nfs/dbraw/zinc/98/82/53/286988253.db2.gz RCZNTONXMPYJSO-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccn1 ZINC000245925454 287022955 /nfs/dbraw/zinc/02/29/55/287022955.db2.gz OMANFNMRQUXBCS-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP C[NH+](Cc1cccc(C[N@@H+](C)CC2CC2)c1)CC1CC1 ZINC000077376580 287039336 /nfs/dbraw/zinc/03/93/36/287039336.db2.gz FQPUQAPOXXPMDC-UHFFFAOYSA-N 2 1 272.436 3.370 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000090340188 165232888 /nfs/dbraw/zinc/23/28/88/165232888.db2.gz UPHAWYWFKYQQRF-GOEBONIOSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cn1 ZINC000092195409 165287903 /nfs/dbraw/zinc/28/79/03/165287903.db2.gz NZEDAZQMBYNCOC-NSHDSACASA-N 2 1 279.403 3.181 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683493 165336210 /nfs/dbraw/zinc/33/62/10/165336210.db2.gz ANTWGBGSBQWTMY-OAHLLOKOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683493 165336213 /nfs/dbraw/zinc/33/62/13/165336213.db2.gz ANTWGBGSBQWTMY-OAHLLOKOSA-N 2 1 278.465 3.364 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000094470710 165350070 /nfs/dbraw/zinc/35/00/70/165350070.db2.gz LGGGFHNSQCVBSB-PBHICJAKSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000094339095 165350740 /nfs/dbraw/zinc/35/07/40/165350740.db2.gz BJFHWNWKXLXISE-DYVFJYSZSA-N 2 1 254.377 3.009 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769912 287119126 /nfs/dbraw/zinc/11/91/26/287119126.db2.gz VMKZVGIPGJYYAP-QGZVFWFLSA-N 2 1 274.452 3.385 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769912 287119127 /nfs/dbraw/zinc/11/91/27/287119127.db2.gz VMKZVGIPGJYYAP-QGZVFWFLSA-N 2 1 274.452 3.385 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769912 287119129 /nfs/dbraw/zinc/11/91/29/287119129.db2.gz VMKZVGIPGJYYAP-QGZVFWFLSA-N 2 1 274.452 3.385 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261556099 165819225 /nfs/dbraw/zinc/81/92/25/165819225.db2.gz BWMSTBLLTNQIIA-BQPHKTIFSA-N 2 1 264.800 3.070 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000284288158 196020900 /nfs/dbraw/zinc/02/09/00/196020900.db2.gz KCWKOOYFXAFRRE-GFCCVEGCSA-N 2 1 299.846 3.126 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCCC1 ZINC000125538285 287246527 /nfs/dbraw/zinc/24/65/27/287246527.db2.gz OIPHTDQJHDJKFQ-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1F ZINC000020128859 171016315 /nfs/dbraw/zinc/01/63/15/171016315.db2.gz JGGNZHCQKJCIDJ-AWEZNQCLSA-N 2 1 294.414 3.361 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000125742492 287249573 /nfs/dbraw/zinc/24/95/73/287249573.db2.gz JPYVXXHJBVYNJN-IRXDYDNUSA-N 2 1 264.457 3.300 20 0 CGADMP CC(C)[C@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+]1CCCC1 ZINC000021819477 171334158 /nfs/dbraw/zinc/33/41/58/171334158.db2.gz HBOMNUXKMFKDAM-CVEARBPZSA-N 2 1 250.430 3.053 20 0 CGADMP C[NH+](C)CCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000126201695 287259315 /nfs/dbraw/zinc/25/93/15/287259315.db2.gz VZJKBGHUCMQKID-UHFFFAOYSA-N 2 1 254.443 3.087 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC12CCC2 ZINC000337411591 287269115 /nfs/dbraw/zinc/26/91/15/287269115.db2.gz WGNWIRDEWCRXBZ-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CSC)cc2)[C@H](C)C1 ZINC000285714285 196375320 /nfs/dbraw/zinc/37/53/20/196375320.db2.gz PTKLPTBSWOFVQI-RHSMWYFYSA-N 2 1 292.492 3.370 20 0 CGADMP CCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515586 173246570 /nfs/dbraw/zinc/24/65/70/173246570.db2.gz RUNSLMIRSVIEKH-MRXNPFEDSA-N 2 1 274.452 3.472 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000127360615 287286552 /nfs/dbraw/zinc/28/65/52/287286552.db2.gz PHDWBINZXPUCJD-INIZCTEOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000127360615 287286555 /nfs/dbraw/zinc/28/65/55/287286555.db2.gz PHDWBINZXPUCJD-INIZCTEOSA-N 2 1 263.429 3.340 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527648 175192587 /nfs/dbraw/zinc/19/25/87/175192587.db2.gz SLWZVHIYXKWBJA-VXGBXAGGSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527648 175192588 /nfs/dbraw/zinc/19/25/88/175192588.db2.gz SLWZVHIYXKWBJA-VXGBXAGGSA-N 2 1 297.240 3.181 20 0 CGADMP Clc1ccc2c(NC[C@@H]3CCC[NH2+]3)cc[nH+]c2c1 ZINC000053255028 175546207 /nfs/dbraw/zinc/54/62/07/175546207.db2.gz WSFCUNJFHVUSGJ-NSHDSACASA-N 2 1 261.756 3.052 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311630879 416531167 /nfs/dbraw/zinc/53/11/67/416531167.db2.gz ZDHWPKFXGXNKRO-WWGRRREGSA-N 2 1 278.827 3.462 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404309918 416552779 /nfs/dbraw/zinc/55/27/79/416552779.db2.gz JXPHUUVEHFUOEQ-PBHICJAKSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)[C@@H]1CC[NH3+] ZINC000404395428 416553815 /nfs/dbraw/zinc/55/38/15/416553815.db2.gz OFFQBWJDFHFRPD-ULEBIONPSA-N 2 1 258.409 3.149 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358789 416491994 /nfs/dbraw/zinc/49/19/94/416491994.db2.gz KMNGYWNMUSCQMK-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000122228248 416502998 /nfs/dbraw/zinc/50/29/98/416502998.db2.gz JQYNMCPCDJRHMO-RWSFTLGLSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000122228248 416503003 /nfs/dbraw/zinc/50/30/03/416503003.db2.gz JQYNMCPCDJRHMO-RWSFTLGLSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)CC[C@@H]1[NH3+] ZINC000134103035 416517423 /nfs/dbraw/zinc/51/74/23/416517423.db2.gz WUQKPYCDAHNFRG-WBVHZDCISA-N 2 1 260.425 3.171 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[N@@H+]1C ZINC000129862117 287340199 /nfs/dbraw/zinc/34/01/99/287340199.db2.gz NIOKCKRUWWBRGM-ZHCJQAHYSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[N@H+]1C ZINC000129862117 287340202 /nfs/dbraw/zinc/34/02/02/287340202.db2.gz NIOKCKRUWWBRGM-ZHCJQAHYSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000679341966 543622536 /nfs/dbraw/zinc/62/25/36/543622536.db2.gz PROIYOMJVAUMCO-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000680333058 543698791 /nfs/dbraw/zinc/69/87/91/543698791.db2.gz UIYQVDZNCLIYDZ-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000681366340 543783831 /nfs/dbraw/zinc/78/38/31/543783831.db2.gz PAUSNUIPRHKEQF-ULQDDVLXSA-N 2 1 264.457 3.299 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000683004136 543887074 /nfs/dbraw/zinc/88/70/74/543887074.db2.gz AHXSBJYCLFSMDX-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000683108887 543895110 /nfs/dbraw/zinc/89/51/10/543895110.db2.gz AEOFSGSPVRXWGU-WBVHZDCISA-N 2 1 287.451 3.276 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3cnccc3c2)CCN1C ZINC000683831403 543946033 /nfs/dbraw/zinc/94/60/33/543946033.db2.gz WEIRSKFYQVOKRQ-KSSFIOAISA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3cnccc3c2)CC[N@@H+]1C ZINC000683831403 543946036 /nfs/dbraw/zinc/94/60/36/543946036.db2.gz WEIRSKFYQVOKRQ-KSSFIOAISA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3cnccc3c2)CC[N@H+]1C ZINC000683831403 543946039 /nfs/dbraw/zinc/94/60/39/543946039.db2.gz WEIRSKFYQVOKRQ-KSSFIOAISA-N 2 1 283.419 3.149 20 0 CGADMP Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000684566386 544014015 /nfs/dbraw/zinc/01/40/15/544014015.db2.gz PQXQXOUTLSZBSW-UHFFFAOYSA-N 2 1 281.403 3.102 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000684370586 543987382 /nfs/dbraw/zinc/98/73/82/543987382.db2.gz ZCGOFYFSJSNPCU-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP Fc1ccc(/C=C\C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000684425871 543998531 /nfs/dbraw/zinc/99/85/31/543998531.db2.gz ZMBWLYWGILAOGO-PLNGDYQASA-N 2 1 288.410 3.445 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000685455222 544073128 /nfs/dbraw/zinc/07/31/28/544073128.db2.gz LQUIIGFCFIUCBS-FUHWJXTLSA-N 2 1 274.452 3.185 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C(C)(C)C ZINC000685470814 544076774 /nfs/dbraw/zinc/07/67/74/544076774.db2.gz STJFYCKOQSUGIA-KFWWJZLASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C(C)(C)C ZINC000685470814 544076776 /nfs/dbraw/zinc/07/67/76/544076776.db2.gz STJFYCKOQSUGIA-KFWWJZLASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C(C)(C)C ZINC000685470814 544076779 /nfs/dbraw/zinc/07/67/79/544076779.db2.gz STJFYCKOQSUGIA-KFWWJZLASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](CF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000685473307 544079094 /nfs/dbraw/zinc/07/90/94/544079094.db2.gz CSKXFMUHEJIAEO-HZTRTUMWSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@H](CF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000685473307 544079095 /nfs/dbraw/zinc/07/90/95/544079095.db2.gz CSKXFMUHEJIAEO-HZTRTUMWSA-N 2 1 276.399 3.130 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000685662234 544093204 /nfs/dbraw/zinc/09/32/04/544093204.db2.gz WMBPPUJYUOOGFI-FZCLSBEQSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000685662234 544093205 /nfs/dbraw/zinc/09/32/05/544093205.db2.gz WMBPPUJYUOOGFI-FZCLSBEQSA-N 2 1 274.452 3.497 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355091773 227389994 /nfs/dbraw/zinc/38/99/94/227389994.db2.gz XDVLYYMKYDEHEF-YCPHGPKFSA-N 2 1 298.434 3.442 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000685849553 544102133 /nfs/dbraw/zinc/10/21/33/544102133.db2.gz YVPFIJROSPCSPH-JKSUJKDBSA-N 2 1 262.441 3.499 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000685849553 544102137 /nfs/dbraw/zinc/10/21/37/544102137.db2.gz YVPFIJROSPCSPH-JKSUJKDBSA-N 2 1 262.441 3.499 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000685849552 544102549 /nfs/dbraw/zinc/10/25/49/544102549.db2.gz YVPFIJROSPCSPH-HOTGVXAUSA-N 2 1 262.441 3.499 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000685849552 544102550 /nfs/dbraw/zinc/10/25/50/544102550.db2.gz YVPFIJROSPCSPH-HOTGVXAUSA-N 2 1 262.441 3.499 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000685849351 544102562 /nfs/dbraw/zinc/10/25/62/544102562.db2.gz DQAHHDPQABLVJI-OWCLPIDISA-N 2 1 252.446 3.297 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000685849351 544102563 /nfs/dbraw/zinc/10/25/63/544102563.db2.gz DQAHHDPQABLVJI-OWCLPIDISA-N 2 1 252.446 3.297 20 0 CGADMP CC(C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319916 418934055 /nfs/dbraw/zinc/93/40/55/418934055.db2.gz JUYQKJZYXHFGDX-QGZVFWFLSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000652222286 418936700 /nfs/dbraw/zinc/93/67/00/418936700.db2.gz JOIQUWNVQDFTEJ-KRWDZBQOSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000652222286 418936703 /nfs/dbraw/zinc/93/67/03/418936703.db2.gz JOIQUWNVQDFTEJ-KRWDZBQOSA-N 2 1 293.430 3.239 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3ccsc32)CC[N@H+]1C ZINC000652220098 418936828 /nfs/dbraw/zinc/93/68/28/418936828.db2.gz UMKNYSWWFFMRNH-WFASDCNBSA-N 2 1 274.433 3.474 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3ccsc32)CC[N@H+]1C ZINC000652220096 418936999 /nfs/dbraw/zinc/93/69/99/418936999.db2.gz UMKNYSWWFFMRNH-IUODEOHRSA-N 2 1 274.433 3.474 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](COC)C1CC1)C1CCCCC1 ZINC000652237535 418939882 /nfs/dbraw/zinc/93/98/82/418939882.db2.gz SFBIDMJTXCRXPG-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833640 419013281 /nfs/dbraw/zinc/01/32/81/419013281.db2.gz QNXBUUYDALTJSJ-QGZVFWFLSA-N 2 1 298.434 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833640 419013284 /nfs/dbraw/zinc/01/32/84/419013284.db2.gz QNXBUUYDALTJSJ-QGZVFWFLSA-N 2 1 298.434 3.450 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000655735997 419081453 /nfs/dbraw/zinc/08/14/53/419081453.db2.gz ARAMVHGOPSDHHC-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655770413 419091494 /nfs/dbraw/zinc/09/14/94/419091494.db2.gz JUOWUFJLYZESFL-JFIYKMOQSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(OC)c(OC)c1 ZINC000665249571 419092161 /nfs/dbraw/zinc/09/21/61/419092161.db2.gz SXABOKHKPKZMAI-AWEZNQCLSA-N 2 1 292.423 3.016 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000660178654 419094007 /nfs/dbraw/zinc/09/40/07/419094007.db2.gz KPEAULPPEJEMQA-CVEARBPZSA-N 2 1 298.858 3.082 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253468 419094023 /nfs/dbraw/zinc/09/40/23/419094023.db2.gz RLNHQFGKTDOQIV-VDNDLQMASA-N 2 1 276.399 3.049 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000660178654 419094011 /nfs/dbraw/zinc/09/40/11/419094011.db2.gz KPEAULPPEJEMQA-CVEARBPZSA-N 2 1 298.858 3.082 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000660178655 419094616 /nfs/dbraw/zinc/09/46/16/419094616.db2.gz KPEAULPPEJEMQA-HOTGVXAUSA-N 2 1 298.858 3.082 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000660178655 419094619 /nfs/dbraw/zinc/09/46/19/419094619.db2.gz KPEAULPPEJEMQA-HOTGVXAUSA-N 2 1 298.858 3.082 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665256615 419095780 /nfs/dbraw/zinc/09/57/80/419095780.db2.gz HEOJPLCIQCKRDQ-IAOVAPTHSA-N 2 1 278.415 3.295 20 0 CGADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc21 ZINC000665266812 419096999 /nfs/dbraw/zinc/09/69/99/419096999.db2.gz KGFGBBBXFZXIEV-KYNGSXCRSA-N 2 1 299.462 3.128 20 0 CGADMP CCCC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665277575 419099133 /nfs/dbraw/zinc/09/91/33/419099133.db2.gz FUEFRKWXFUKNPX-WIHSUSGWSA-N 2 1 258.409 3.260 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+][C@H](C)CCCC[NH3+] ZINC000665275735 419099709 /nfs/dbraw/zinc/09/97/09/419099709.db2.gz QLQJEECRYSFOFY-CYBMUJFWSA-N 2 1 270.367 3.194 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659982404 419051143 /nfs/dbraw/zinc/05/11/43/419051143.db2.gz MBKRLTANFDNVCD-LTIDMASMSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659982404 419051148 /nfs/dbraw/zinc/05/11/48/419051148.db2.gz MBKRLTANFDNVCD-LTIDMASMSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659982404 419051150 /nfs/dbraw/zinc/05/11/50/419051150.db2.gz MBKRLTANFDNVCD-LTIDMASMSA-N 2 1 264.457 3.086 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)C3CC3)CC[C@H]21 ZINC000653570675 419051467 /nfs/dbraw/zinc/05/14/67/419051467.db2.gz ZJCSCFMQHRMXAI-GDBMZVCRSA-N 2 1 264.457 3.229 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982735 419051681 /nfs/dbraw/zinc/05/16/81/419051681.db2.gz VTNAIJYTTKYEKT-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982735 419051686 /nfs/dbraw/zinc/05/16/86/419051686.db2.gz VTNAIJYTTKYEKT-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982735 419051690 /nfs/dbraw/zinc/05/16/90/419051690.db2.gz VTNAIJYTTKYEKT-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CCC2)C[C@H]1C ZINC000659982981 419052985 /nfs/dbraw/zinc/05/29/85/419052985.db2.gz AXRRHRMUJMAUEQ-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2CCC2)C[C@H]1C ZINC000659982981 419052988 /nfs/dbraw/zinc/05/29/88/419052988.db2.gz AXRRHRMUJMAUEQ-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2CCC2)C[C@H]1C ZINC000659982981 419052991 /nfs/dbraw/zinc/05/29/91/419052991.db2.gz AXRRHRMUJMAUEQ-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP CCCC[C@H](CC)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655683927 419063980 /nfs/dbraw/zinc/06/39/80/419063980.db2.gz JAFAUTMKEBTMBS-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(C)(C)C2CC2)CC1 ZINC000653642765 419064966 /nfs/dbraw/zinc/06/49/66/419064966.db2.gz VHSOECSDDHQUQM-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000660084298 419074608 /nfs/dbraw/zinc/07/46/08/419074608.db2.gz YCGMYHCVXCKAFV-NJAFHUGGSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000660084298 419074612 /nfs/dbraw/zinc/07/46/12/419074612.db2.gz YCGMYHCVXCKAFV-NJAFHUGGSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000660084298 419074617 /nfs/dbraw/zinc/07/46/17/419074617.db2.gz YCGMYHCVXCKAFV-NJAFHUGGSA-N 2 1 296.499 3.244 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000655940154 419129664 /nfs/dbraw/zinc/12/96/64/419129664.db2.gz XBPQDXODCTVWKU-HNNXBMFYSA-N 2 1 290.451 3.379 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000655939062 419129707 /nfs/dbraw/zinc/12/97/07/419129707.db2.gz BBXUYSCEMYPFAJ-RHSMWYFYSA-N 2 1 290.451 3.235 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C1 ZINC000656197389 419148359 /nfs/dbraw/zinc/14/83/59/419148359.db2.gz FQXLOWWKNBJMRU-QWRGUYRKSA-N 2 1 295.839 3.309 20 0 CGADMP Cc1ccc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000656469264 419175928 /nfs/dbraw/zinc/17/59/28/419175928.db2.gz NSUZGCWACZTEAO-UHFFFAOYSA-N 2 1 286.463 3.452 20 0 CGADMP Clc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000656478132 419176785 /nfs/dbraw/zinc/17/67/85/419176785.db2.gz FAQQHCKTCAOHFV-JKSUJKDBSA-N 2 1 278.827 3.099 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660661163 419178714 /nfs/dbraw/zinc/17/87/14/419178714.db2.gz YZQSRZLADRBQIJ-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660661163 419178715 /nfs/dbraw/zinc/17/87/15/419178715.db2.gz YZQSRZLADRBQIJ-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660661163 419178719 /nfs/dbraw/zinc/17/87/19/419178719.db2.gz YZQSRZLADRBQIJ-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3ncccc3c1)C2 ZINC000660661769 419179119 /nfs/dbraw/zinc/17/91/19/419179119.db2.gz GHCIJHUMNXUXMV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000660661769 419179121 /nfs/dbraw/zinc/17/91/21/419179121.db2.gz GHCIJHUMNXUXMV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000660661769 419179125 /nfs/dbraw/zinc/17/91/25/419179125.db2.gz GHCIJHUMNXUXMV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCC1CCOCC1)C2 ZINC000660665921 419179758 /nfs/dbraw/zinc/17/97/58/419179758.db2.gz ZIOJUOZVAKSZGD-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC1=CCCCC1)C2 ZINC000660665883 419179772 /nfs/dbraw/zinc/17/97/72/419179772.db2.gz YOZMBCBUZIMNAK-QGZVFWFLSA-N 2 1 262.441 3.295 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC1=CCCCC1)C2 ZINC000660665883 419179773 /nfs/dbraw/zinc/17/97/73/419179773.db2.gz YOZMBCBUZIMNAK-QGZVFWFLSA-N 2 1 262.441 3.295 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC1=CCCCC1)C2 ZINC000660665883 419179774 /nfs/dbraw/zinc/17/97/74/419179774.db2.gz YOZMBCBUZIMNAK-QGZVFWFLSA-N 2 1 262.441 3.295 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1C=CCCCCC1)C2 ZINC000660662345 419179833 /nfs/dbraw/zinc/17/98/33/419179833.db2.gz IOGGLHUPGMOKKX-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000660662345 419179836 /nfs/dbraw/zinc/17/98/36/419179836.db2.gz IOGGLHUPGMOKKX-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1C=CCCCCC1)C2 ZINC000660662345 419179837 /nfs/dbraw/zinc/17/98/37/419179837.db2.gz IOGGLHUPGMOKKX-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP CCCOc1ccc(C[NH2+]CCn2cc[nH+]c2C)c(C)c1 ZINC000657338496 419254585 /nfs/dbraw/zinc/25/45/85/419254585.db2.gz YJFUAMMHSXOFEK-UHFFFAOYSA-N 2 1 287.407 3.079 20 0 CGADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000661524083 419269326 /nfs/dbraw/zinc/26/93/26/419269326.db2.gz WSUGESIRPTUNAY-YXJHDRRASA-N 2 1 272.436 3.179 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786775 419219251 /nfs/dbraw/zinc/21/92/51/419219251.db2.gz XMXKMGWMQRCZRZ-INIZCTEOSA-N 2 1 276.399 3.037 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000656787518 419219838 /nfs/dbraw/zinc/21/98/38/419219838.db2.gz LPWWQUZLSHAASV-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000656791700 419221403 /nfs/dbraw/zinc/22/14/03/419221403.db2.gz JEIPVYIBLATLKV-INIZCTEOSA-N 2 1 264.388 3.037 20 0 CGADMP CCC[N@@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000656791700 419221405 /nfs/dbraw/zinc/22/14/05/419221405.db2.gz JEIPVYIBLATLKV-INIZCTEOSA-N 2 1 264.388 3.037 20 0 CGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304164 419387947 /nfs/dbraw/zinc/38/79/47/419387947.db2.gz KVEZWFUWUASINS-VNSJNIRKSA-N 2 1 272.436 3.468 20 0 CGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304164 419387950 /nfs/dbraw/zinc/38/79/50/419387950.db2.gz KVEZWFUWUASINS-VNSJNIRKSA-N 2 1 272.436 3.468 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCc2ccccc21 ZINC000662323843 419392109 /nfs/dbraw/zinc/39/21/09/419392109.db2.gz RXNHMXZHHFLABT-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662257308 419372294 /nfs/dbraw/zinc/37/22/94/419372294.db2.gz MARYAHZOSRVXBD-KRWDZBQOSA-N 2 1 272.436 3.343 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662245162 419372805 /nfs/dbraw/zinc/37/28/05/419372805.db2.gz IDGVVAFKFVWPEK-HNNXBMFYSA-N 2 1 260.425 3.025 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)F)nc1 ZINC000657839812 419381267 /nfs/dbraw/zinc/38/12/67/419381267.db2.gz HBXPEYOOYPNKIH-UBHSHLNASA-N 2 1 295.377 3.297 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)F)nc1 ZINC000657839812 419381271 /nfs/dbraw/zinc/38/12/71/419381271.db2.gz HBXPEYOOYPNKIH-UBHSHLNASA-N 2 1 295.377 3.297 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCc3ccccc31)C2 ZINC000662284347 419383800 /nfs/dbraw/zinc/38/38/00/419383800.db2.gz GZQOZEOEICXGAL-LNLFQRSKSA-N 2 1 284.447 3.167 20 0 CGADMP CCOC1CCC([NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000657847714 419385301 /nfs/dbraw/zinc/38/53/01/419385301.db2.gz FDEUGODHCBRJPQ-VBWXLCSBSA-N 2 1 296.499 3.290 20 0 CGADMP CCOC1CCC([NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000657847714 419385305 /nfs/dbraw/zinc/38/53/05/419385305.db2.gz FDEUGODHCBRJPQ-VBWXLCSBSA-N 2 1 296.499 3.290 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000657999657 419484422 /nfs/dbraw/zinc/48/44/22/419484422.db2.gz XPKASRHJGVHPPT-QZTJIDSGSA-N 2 1 284.447 3.431 20 0 CGADMP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000663346624 419567734 /nfs/dbraw/zinc/56/77/34/419567734.db2.gz BHHZXVCNXQZKDO-FXAWDEMLSA-N 2 1 298.474 3.256 20 0 CGADMP Fc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345879 419568289 /nfs/dbraw/zinc/56/82/89/419568289.db2.gz NOWQROGJGONLHH-AWEZNQCLSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345879 419568299 /nfs/dbraw/zinc/56/82/99/419568299.db2.gz NOWQROGJGONLHH-AWEZNQCLSA-N 2 1 294.389 3.176 20 0 CGADMP CC(C)c1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000663314243 419550011 /nfs/dbraw/zinc/55/00/11/419550011.db2.gz BBXHFYKAZLOEQA-INIZCTEOSA-N 2 1 272.436 3.384 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC000663315652 419551137 /nfs/dbraw/zinc/55/11/37/419551137.db2.gz ZYHBXRQBVGWTBN-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000663346627 419568578 /nfs/dbraw/zinc/56/85/78/419568578.db2.gz BHHZXVCNXQZKDO-YLJYHZDGSA-N 2 1 298.474 3.256 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465217 419616736 /nfs/dbraw/zinc/61/67/36/419616736.db2.gz IQDMIIBITJYKIP-FUHWJXTLSA-N 2 1 299.462 3.171 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465217 419616739 /nfs/dbraw/zinc/61/67/39/419616739.db2.gz IQDMIIBITJYKIP-FUHWJXTLSA-N 2 1 299.462 3.171 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000663468890 419620800 /nfs/dbraw/zinc/62/08/00/419620800.db2.gz NFANOQCNVXILIB-HOCLYGCPSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1nc([C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466519 419622746 /nfs/dbraw/zinc/62/27/46/419622746.db2.gz UYZDFPFYECXCQC-IUODEOHRSA-N 2 1 293.480 3.224 20 0 CGADMP CC1(C)CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663471307 419626083 /nfs/dbraw/zinc/62/60/83/419626083.db2.gz XKFOTGHXCAEYSA-HZPDHXFCSA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663471303 419626332 /nfs/dbraw/zinc/62/63/32/419626332.db2.gz XKFOTGHXCAEYSA-CVEARBPZSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663470575 419627443 /nfs/dbraw/zinc/62/74/43/419627443.db2.gz VHQCSZKZKVTPHD-UKRRQHHQSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663470575 419627448 /nfs/dbraw/zinc/62/74/48/419627448.db2.gz VHQCSZKZKVTPHD-UKRRQHHQSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(c3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000663476213 419628868 /nfs/dbraw/zinc/62/88/68/419628868.db2.gz YXOXHYNUCGQHPR-HHXXYDBFSA-N 2 1 286.463 3.427 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC2CCC2)[C@H](C)C1 ZINC000658220802 419674823 /nfs/dbraw/zinc/67/48/23/419674823.db2.gz IPWXWGFGEMWUHD-AEFFLSMTSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1C ZINC000658227739 419685082 /nfs/dbraw/zinc/68/50/82/419685082.db2.gz CCFJUFBKCWSLNQ-KQTLUZQSSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1C ZINC000658227739 419685087 /nfs/dbraw/zinc/68/50/87/419685087.db2.gz CCFJUFBKCWSLNQ-KQTLUZQSSA-N 2 1 250.430 3.028 20 0 CGADMP C1CC12CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230676 419690531 /nfs/dbraw/zinc/69/05/31/419690531.db2.gz QKOYIVRMBZPTBS-GOEBONIOSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC12CCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230676 419690537 /nfs/dbraw/zinc/69/05/37/419690537.db2.gz QKOYIVRMBZPTBS-GOEBONIOSA-N 2 1 262.441 3.316 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NC[C@H](C)C[NH+](C)C)[nH+]1 ZINC000663931359 419763386 /nfs/dbraw/zinc/76/33/86/419763386.db2.gz MAXPGFIUXFJVCT-VIFPVBQESA-N 2 1 275.318 3.018 20 0 CGADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cnn1C(C)C ZINC000191189252 287589142 /nfs/dbraw/zinc/58/91/42/287589142.db2.gz DZZKLHDGWKQBGE-GJZGRUSLSA-N 2 1 292.471 3.155 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1n1ccnc1 ZINC000179476413 260050872 /nfs/dbraw/zinc/05/08/72/260050872.db2.gz RZUVNEVESSSUBI-KXBFYZLASA-N 2 1 295.430 3.455 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997028 270028504 /nfs/dbraw/zinc/02/85/04/270028504.db2.gz OCXXZHFVXSMTEP-YVZJPGBNSA-N 2 1 284.447 3.457 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997028 270028505 /nfs/dbraw/zinc/02/85/05/270028505.db2.gz OCXXZHFVXSMTEP-YVZJPGBNSA-N 2 1 284.447 3.457 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000044535675 270035907 /nfs/dbraw/zinc/03/59/07/270035907.db2.gz CSBCYAVVDRUCEB-CHWSQXEVSA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044535675 270035909 /nfs/dbraw/zinc/03/59/09/270035909.db2.gz CSBCYAVVDRUCEB-CHWSQXEVSA-N 2 1 252.427 3.049 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000044535513 270036831 /nfs/dbraw/zinc/03/68/31/270036831.db2.gz YZAVXRGVPYVMJO-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000044535513 270036833 /nfs/dbraw/zinc/03/68/33/270036833.db2.gz YZAVXRGVPYVMJO-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1cccc(F)c1 ZINC000182917852 270054527 /nfs/dbraw/zinc/05/45/27/270054527.db2.gz IDMFSTXZEFMTOP-UHFFFAOYSA-N 2 1 289.398 3.285 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1cccc(F)c1 ZINC000182917852 270054528 /nfs/dbraw/zinc/05/45/28/270054528.db2.gz IDMFSTXZEFMTOP-UHFFFAOYSA-N 2 1 289.398 3.285 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C)C1CCSCC1)[NH+](C)C ZINC000186982833 270067564 /nfs/dbraw/zinc/06/75/64/270067564.db2.gz GTKURHZPXOSGGR-CJNGLKHVSA-N 2 1 286.529 3.474 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000219173168 270085709 /nfs/dbraw/zinc/08/57/09/270085709.db2.gz VTXGJRDRXMLNCO-AWEZNQCLSA-N 2 1 266.404 3.078 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000219173168 270085710 /nfs/dbraw/zinc/08/57/10/270085710.db2.gz VTXGJRDRXMLNCO-AWEZNQCLSA-N 2 1 266.404 3.078 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000224111561 270086724 /nfs/dbraw/zinc/08/67/24/270086724.db2.gz RWWNWYMUSKWHND-BQFCYCMXSA-N 2 1 274.452 3.388 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000224111561 270086725 /nfs/dbraw/zinc/08/67/25/270086725.db2.gz RWWNWYMUSKWHND-BQFCYCMXSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321694486 270093372 /nfs/dbraw/zinc/09/33/72/270093372.db2.gz SFCZPOPNMNQZSA-INMHGKMJSA-N 2 1 260.425 3.143 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000321881128 270093412 /nfs/dbraw/zinc/09/34/12/270093412.db2.gz JIBYFXIPXYYSOM-VKJFTORMSA-N 2 1 272.436 3.285 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000328137294 270094984 /nfs/dbraw/zinc/09/49/84/270094984.db2.gz YTBRAMAZTDRDCV-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000328137294 270094985 /nfs/dbraw/zinc/09/49/85/270094985.db2.gz YTBRAMAZTDRDCV-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)COC)CC1)CC(C)C ZINC000522036048 270103978 /nfs/dbraw/zinc/10/39/78/270103978.db2.gz LEKIRFZIQYBHRF-KRWDZBQOSA-N 2 1 298.515 3.349 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnc(C)c1 ZINC000527540853 270129584 /nfs/dbraw/zinc/12/95/84/270129584.db2.gz VVDNLAMQHQIMRZ-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnc(C)c1 ZINC000527540853 270129585 /nfs/dbraw/zinc/12/95/85/270129585.db2.gz VVDNLAMQHQIMRZ-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC23CC3)c1 ZINC000527859919 270140353 /nfs/dbraw/zinc/14/03/53/270140353.db2.gz SCEMDPNPDVUSBL-PBHICJAKSA-N 2 1 272.436 3.417 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000527859898 270140381 /nfs/dbraw/zinc/14/03/81/270140381.db2.gz GRIHJSHQCGGMNO-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@@H]1CC12CC2 ZINC000527848041 270139438 /nfs/dbraw/zinc/13/94/38/270139438.db2.gz DUFZYZJUFZQNDO-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@@H]1CC12CC2 ZINC000527848041 270139439 /nfs/dbraw/zinc/13/94/39/270139439.db2.gz DUFZYZJUFZQNDO-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527854218 270139940 /nfs/dbraw/zinc/13/99/40/270139940.db2.gz JEAAJKUPHSGZTM-BONVTDFDSA-N 2 1 284.806 3.396 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527861054 270140262 /nfs/dbraw/zinc/14/02/62/270140262.db2.gz XAQPFXBUQHVTHU-WDSOQIARSA-N 2 1 298.474 3.329 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CCc3ccccc3CC2)CC[N@H+]1C ZINC000527935459 270145383 /nfs/dbraw/zinc/14/53/83/270145383.db2.gz YRFBMNKIVMUOQV-KXBFYZLASA-N 2 1 286.463 3.254 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000527961366 270147181 /nfs/dbraw/zinc/14/71/81/270147181.db2.gz AMNNXXMCDDPVHA-GOSISDBHSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@H]2CCC[C@@H]21 ZINC000527981778 270148263 /nfs/dbraw/zinc/14/82/63/270148263.db2.gz RSCCSSCRMWXFRF-NCOADZHNSA-N 2 1 262.441 3.195 20 0 CGADMP COc1ccc([C@@H]([NH2+]CC2CC=CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000530215811 270195570 /nfs/dbraw/zinc/19/55/70/270195570.db2.gz JGRMRGKEPWPLJU-ZWKOTPCHSA-N 2 1 286.419 3.044 20 0 CGADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(F)ccc1F ZINC000530465593 270200421 /nfs/dbraw/zinc/20/04/21/270200421.db2.gz NRMBDDZEJZEWPP-INIZCTEOSA-N 2 1 293.361 3.228 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1Cl ZINC000531689168 270208811 /nfs/dbraw/zinc/20/88/11/270208811.db2.gz HRFVEHRTJUHUSJ-NSHDSACASA-N 2 1 282.815 3.093 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)[C@H](C)C1 ZINC000531955034 270211309 /nfs/dbraw/zinc/21/13/09/270211309.db2.gz RBKSXIONOCVIHP-XOUADPBQSA-N 2 1 276.424 3.223 20 0 CGADMP CC(C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000335895361 273511238 /nfs/dbraw/zinc/51/12/38/273511238.db2.gz RLUAMLZYBGSNOF-UHFFFAOYSA-N 2 1 261.413 3.055 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423393215 274217010 /nfs/dbraw/zinc/21/70/10/274217010.db2.gz MAZJQJDVJHECPQ-JKOKRWQUSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000335600847 274377268 /nfs/dbraw/zinc/37/72/68/274377268.db2.gz RIWXKXFHPDTPGN-ACJLOTCBSA-N 2 1 278.399 3.344 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1c[nH+]ccc1N ZINC000517918500 274527317 /nfs/dbraw/zinc/52/73/17/274527317.db2.gz UFHQCPJEGZFRJE-GTNSWQLSSA-N 2 1 285.366 3.361 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccsc2S1 ZINC000423352874 274614653 /nfs/dbraw/zinc/61/46/53/274614653.db2.gz AOQVDIUROROSLX-DMDPSCGWSA-N 2 1 282.478 3.405 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3CC3(C)C)CC2)[nH+]c1 ZINC000487307285 274747168 /nfs/dbraw/zinc/74/71/68/274747168.db2.gz YLOBITJOJFYIPA-HOCLYGCPSA-N 2 1 287.451 3.383 20 0 CGADMP C(C1CCOCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171860110 275390348 /nfs/dbraw/zinc/39/03/48/275390348.db2.gz IFQQCUKVZGEBEA-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000279057263 275861403 /nfs/dbraw/zinc/86/14/03/275861403.db2.gz YOHYKIPYGZEHQN-RHSMWYFYSA-N 2 1 295.430 3.458 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000341702806 276151848 /nfs/dbraw/zinc/15/18/48/276151848.db2.gz LFJBQKIMDIPORW-LBTNJELSSA-N 2 1 288.435 3.014 20 0 CGADMP CCC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408424 276222445 /nfs/dbraw/zinc/22/24/45/276222445.db2.gz RQUSTAINXZAZCI-SLTAFYQDSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc32)[C@@H](C)C1 ZINC000449361226 276229360 /nfs/dbraw/zinc/22/93/60/276229360.db2.gz IVNKHKBXNQAEIG-LZWOXQAQSA-N 2 1 290.476 3.196 20 0 CGADMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCC1 ZINC000313430992 276286844 /nfs/dbraw/zinc/28/68/44/276286844.db2.gz QPFVWUFUJRMEBR-INIZCTEOSA-N 2 1 250.430 3.197 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@]2(CCSC2)C1 ZINC000334627019 277046192 /nfs/dbraw/zinc/04/61/92/277046192.db2.gz OGOYEDPTGKRHEW-HOTGVXAUSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000334627019 277046193 /nfs/dbraw/zinc/04/61/93/277046193.db2.gz OGOYEDPTGKRHEW-HOTGVXAUSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000334627019 277046194 /nfs/dbraw/zinc/04/61/94/277046194.db2.gz OGOYEDPTGKRHEW-HOTGVXAUSA-N 2 1 282.497 3.080 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493530474 277062297 /nfs/dbraw/zinc/06/22/97/277062297.db2.gz RWUZSRWJAHZOPY-QRVBRYPASA-N 2 1 286.463 3.472 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000124818475 277078002 /nfs/dbraw/zinc/07/80/02/277078002.db2.gz PAMYRWIMBXPROB-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000124818475 277078003 /nfs/dbraw/zinc/07/80/03/277078003.db2.gz PAMYRWIMBXPROB-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000124818475 277078004 /nfs/dbraw/zinc/07/80/04/277078004.db2.gz PAMYRWIMBXPROB-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc3cccnc32)C1 ZINC000269135546 277156094 /nfs/dbraw/zinc/15/60/94/277156094.db2.gz RFBWBJDIRAGWAA-FUHWJXTLSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000269135546 277156095 /nfs/dbraw/zinc/15/60/95/277156095.db2.gz RFBWBJDIRAGWAA-FUHWJXTLSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000269135546 277156096 /nfs/dbraw/zinc/15/60/96/277156096.db2.gz RFBWBJDIRAGWAA-FUHWJXTLSA-N 2 1 295.430 3.151 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000513698296 277170606 /nfs/dbraw/zinc/17/06/06/277170606.db2.gz YWOMYCVSAQOTBQ-IKGGRYGDSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000372567007 277302584 /nfs/dbraw/zinc/30/25/84/277302584.db2.gz FLGQMMMOCVAJMW-HNNXBMFYSA-N 2 1 283.419 3.013 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449204879 277392254 /nfs/dbraw/zinc/39/22/54/277392254.db2.gz JWXJGVOSPFGNJL-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccn1 ZINC000278925399 277444704 /nfs/dbraw/zinc/44/47/04/277444704.db2.gz IJMMGTSHMCRRDV-DOTOQJQBSA-N 2 1 298.434 3.218 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]12 ZINC000394601810 288002436 /nfs/dbraw/zinc/00/24/36/288002436.db2.gz DJYRTJKYANBICM-OWCLPIDISA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)CC[N@H+]1C ZINC000495025780 278026875 /nfs/dbraw/zinc/02/68/75/278026875.db2.gz IDCRHYOIBMKIIL-HZSPNIEDSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000397287178 288022586 /nfs/dbraw/zinc/02/25/86/288022586.db2.gz VCFQPDSKNBXRPM-CKEIUWERSA-N 2 1 283.419 3.040 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC1(C)C ZINC000397561277 288024164 /nfs/dbraw/zinc/02/41/64/288024164.db2.gz ARQIPDMHCQOHSJ-KBXIAJHMSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000423403274 278250561 /nfs/dbraw/zinc/25/05/61/278250561.db2.gz RYYDWSOJEXZVAY-TVQRCGJNSA-N 2 1 297.240 3.108 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC1(C)C ZINC000397737040 288028584 /nfs/dbraw/zinc/02/85/84/288028584.db2.gz GWXMFYRYILLBMW-UGUYLWEFSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414874118 278285041 /nfs/dbraw/zinc/28/50/41/278285041.db2.gz YMJRKSXAECQCBH-SMDDNHRTSA-N 2 1 286.341 3.151 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)C[NH+](C)C ZINC000293265549 278286160 /nfs/dbraw/zinc/28/61/60/278286160.db2.gz CDICZTGOADYBNT-HOCLYGCPSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423452052 278311387 /nfs/dbraw/zinc/31/13/87/278311387.db2.gz VVUHMFHANVBRLD-MXWKQRLJSA-N 2 1 252.427 3.013 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H](C)C1CCCCC1 ZINC000471764436 278348682 /nfs/dbraw/zinc/34/86/82/278348682.db2.gz XQBOEVKOBGVHNU-UONOGXRCSA-N 2 1 263.429 3.157 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1c[nH+]ccc1N ZINC000335513051 278370580 /nfs/dbraw/zinc/37/05/80/278370580.db2.gz LQAOSHGRXOHFFO-PIGZYNQJSA-N 2 1 285.366 3.361 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000149413830 278586973 /nfs/dbraw/zinc/58/69/73/278586973.db2.gz WTLNXHNORRGAMN-CXAGYDPISA-N 2 1 258.409 3.309 20 0 CGADMP c1ccc(SCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459376521 288085740 /nfs/dbraw/zinc/08/57/40/288085740.db2.gz WIGUBKCSVWPRQH-UHFFFAOYSA-N 2 1 290.476 3.385 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178974415 279002929 /nfs/dbraw/zinc/00/29/29/279002929.db2.gz DBKGMIYSJUGMOM-CJNGLKHVSA-N 2 1 276.399 3.003 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000499600603 279094032 /nfs/dbraw/zinc/09/40/32/279094032.db2.gz PJFJFWWEBCZQMX-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000499600603 279094033 /nfs/dbraw/zinc/09/40/33/279094033.db2.gz PJFJFWWEBCZQMX-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000410387872 279095765 /nfs/dbraw/zinc/09/57/65/279095765.db2.gz OMAGFRQSCMCCOJ-DLBZAZTESA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000049554231 279258500 /nfs/dbraw/zinc/25/85/00/279258500.db2.gz YXVNSVDDKWTOOF-RISCZKNCSA-N 2 1 282.428 3.292 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414768999 279321439 /nfs/dbraw/zinc/32/14/39/279321439.db2.gz VYCLIQGQVVXXTA-JTNHKYCSSA-N 2 1 286.341 3.088 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414768999 279321440 /nfs/dbraw/zinc/32/14/40/279321440.db2.gz VYCLIQGQVVXXTA-JTNHKYCSSA-N 2 1 286.341 3.088 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)C[NH+](C)C ZINC000293265565 279352453 /nfs/dbraw/zinc/35/24/53/279352453.db2.gz CDICZTGOADYBNT-ZBFHGGJFSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1c[nH+]ccc1N ZINC000422920464 279553225 /nfs/dbraw/zinc/55/32/25/279553225.db2.gz MDAOZPSTCAUUGJ-GHJWDPDVSA-N 2 1 259.397 3.114 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C12CCCCC2 ZINC000087299159 279812516 /nfs/dbraw/zinc/81/25/16/279812516.db2.gz QBVKHEUXCIEQAQ-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)CC[N@@H+]1C ZINC000334541860 280009260 /nfs/dbraw/zinc/00/92/60/280009260.db2.gz FCOKUKKKUSZSPK-KBXCAEBGSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)CC[N@H+]1C ZINC000334541860 280009265 /nfs/dbraw/zinc/00/92/65/280009265.db2.gz FCOKUKKKUSZSPK-KBXCAEBGSA-N 2 1 272.436 3.006 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527681216 288188000 /nfs/dbraw/zinc/18/80/00/288188000.db2.gz MHWVNLBNTCLXCS-MVJTYMMSSA-N 2 1 278.484 3.379 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247119894 280045285 /nfs/dbraw/zinc/04/52/85/280045285.db2.gz PQJAOBVKHIWQPU-CBBWQLFWSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247119894 280045287 /nfs/dbraw/zinc/04/52/87/280045287.db2.gz PQJAOBVKHIWQPU-CBBWQLFWSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000247260920 280051073 /nfs/dbraw/zinc/05/10/73/280051073.db2.gz ZERAIUAXYKNGKX-ZQDZILKHSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000247260920 280051076 /nfs/dbraw/zinc/05/10/76/280051076.db2.gz ZERAIUAXYKNGKX-ZQDZILKHSA-N 2 1 270.486 3.123 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528658935 288212105 /nfs/dbraw/zinc/21/21/05/288212105.db2.gz NIJDMGRPQOFFED-KRWDZBQOSA-N 2 1 284.407 3.108 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000364727443 280837398 /nfs/dbraw/zinc/83/73/98/280837398.db2.gz FPBMNTBESJUSCM-BRSBDYLESA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000530210275 288300068 /nfs/dbraw/zinc/30/00/68/288300068.db2.gz IXZJDNVDASCDTJ-SMLCLMEVSA-N 2 1 290.838 3.098 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407419 288305238 /nfs/dbraw/zinc/30/52/38/288305238.db2.gz GILCMGXVOPNBKY-UONOGXRCSA-N 2 1 251.418 3.013 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC000531101097 288329373 /nfs/dbraw/zinc/32/93/73/288329373.db2.gz CDCNFOLPNZTEKU-SFHVURJKSA-N 2 1 298.474 3.339 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000531101097 288329374 /nfs/dbraw/zinc/32/93/74/288329374.db2.gz CDCNFOLPNZTEKU-SFHVURJKSA-N 2 1 298.474 3.339 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000531101097 288329375 /nfs/dbraw/zinc/32/93/75/288329375.db2.gz CDCNFOLPNZTEKU-SFHVURJKSA-N 2 1 298.474 3.339 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531724440 288343444 /nfs/dbraw/zinc/34/34/44/288343444.db2.gz VCVRIRVWLIYZOY-CPUCHLNUSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531724440 288343446 /nfs/dbraw/zinc/34/34/46/288343446.db2.gz VCVRIRVWLIYZOY-CPUCHLNUSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@H]1C[C@H](C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CCO1 ZINC000449384000 288351326 /nfs/dbraw/zinc/35/13/26/288351326.db2.gz LMRSKCDRPUIHJG-SQNIBIBYSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000532442736 288361084 /nfs/dbraw/zinc/36/10/84/288361084.db2.gz IFUJRZAHBRPZIA-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CC[NH2+]1 ZINC000423405183 288568835 /nfs/dbraw/zinc/56/88/35/288568835.db2.gz ZQKKJWQBGNRQHV-DYEKYZERSA-N 2 1 262.397 3.023 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000540658184 288665822 /nfs/dbraw/zinc/66/58/22/288665822.db2.gz CNOZPFZYGSCBKS-UHFFFAOYSA-N 2 1 286.463 3.425 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000551030565 289095792 /nfs/dbraw/zinc/09/57/92/289095792.db2.gz VIRDWJUNQQTYGD-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000551145812 289100176 /nfs/dbraw/zinc/10/01/76/289100176.db2.gz XBWFIDAHWFVLDY-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)C(C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000551556862 289121740 /nfs/dbraw/zinc/12/17/40/289121740.db2.gz ZAYVGYKPYMGAFQ-CGTJXYLNSA-N 2 1 296.499 3.098 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000552051693 289155725 /nfs/dbraw/zinc/15/57/25/289155725.db2.gz BLEYWDMUSCYJOL-CABCVRRESA-N 2 1 278.440 3.033 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000552051693 289155726 /nfs/dbraw/zinc/15/57/26/289155726.db2.gz BLEYWDMUSCYJOL-CABCVRRESA-N 2 1 278.440 3.033 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000552281255 289178513 /nfs/dbraw/zinc/17/85/13/289178513.db2.gz NWQZOQJOBAOPSK-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[N@H+]1C[C@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC000552881086 289201391 /nfs/dbraw/zinc/20/13/91/289201391.db2.gz IAINJVOBXSBRSZ-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+]1C[C@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC000552881086 289201394 /nfs/dbraw/zinc/20/13/94/289201394.db2.gz IAINJVOBXSBRSZ-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554364281 289275974 /nfs/dbraw/zinc/27/59/74/289275974.db2.gz XJZXWZDVURQEFS-HOJAQTOUSA-N 2 1 298.474 3.329 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000334581485 289296980 /nfs/dbraw/zinc/29/69/80/289296980.db2.gz JMMAHWRXUBUAKL-UONOGXRCSA-N 2 1 274.399 3.228 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168151 289331533 /nfs/dbraw/zinc/33/15/33/289331533.db2.gz PXXSPKFXCJAUKY-GBBGEASQSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168151 289331534 /nfs/dbraw/zinc/33/15/34/289331534.db2.gz PXXSPKFXCJAUKY-GBBGEASQSA-N 2 1 284.447 3.395 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000556259604 289382501 /nfs/dbraw/zinc/38/25/01/289382501.db2.gz GZPFJWQRGGOPAN-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000093515322 289736184 /nfs/dbraw/zinc/73/61/84/289736184.db2.gz PCOJJXKLPRLSKT-BFYDXBDKSA-N 2 1 288.435 3.411 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261661317 290224840 /nfs/dbraw/zinc/22/48/40/290224840.db2.gz KOCHILQDRHCFMN-XBFCOCLRSA-N 2 1 298.352 3.308 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000514862758 295241097 /nfs/dbraw/zinc/24/10/97/295241097.db2.gz HQANQZBPKBTQQU-JZXOWHBKSA-N 2 1 288.435 3.002 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000414759900 297251737 /nfs/dbraw/zinc/25/17/37/297251737.db2.gz FXVJKGPBUDWGOI-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414835131 298358654 /nfs/dbraw/zinc/35/86/54/298358654.db2.gz HCOQHGOOIZVOFK-CJNGLKHVSA-N 2 1 252.446 3.452 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)CCCO2 ZINC000423397662 301213505 /nfs/dbraw/zinc/21/35/05/301213505.db2.gz USZTWKDXLXHTQM-YQQAZPJKSA-N 2 1 288.435 3.247 20 0 CGADMP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000423112105 303118665 /nfs/dbraw/zinc/11/86/65/303118665.db2.gz XCBGFSBTEPZPMX-QLFBSQMISA-N 2 1 298.352 3.293 20 0 CGADMP [NH3+]CC[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000420419844 303383232 /nfs/dbraw/zinc/38/32/32/303383232.db2.gz XWHCCCARDNRFCQ-RTBURBONSA-N 2 1 280.415 3.396 20 0 CGADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccn1 ZINC000159213145 321830581 /nfs/dbraw/zinc/83/05/81/321830581.db2.gz BRRGKIIKAAJAOK-INIZCTEOSA-N 2 1 286.423 3.498 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000563722210 322008054 /nfs/dbraw/zinc/00/80/54/322008054.db2.gz KZVAVEAGUMVXHR-TZMCWYRMSA-N 2 1 266.816 3.268 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000563722210 322008057 /nfs/dbraw/zinc/00/80/57/322008057.db2.gz KZVAVEAGUMVXHR-TZMCWYRMSA-N 2 1 266.816 3.268 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3cccc(F)c3[C@H]2C)CC[NH2+]1 ZINC000563796197 322010635 /nfs/dbraw/zinc/01/06/35/322010635.db2.gz UQFKTKWZUBQLFI-MGPQQGTHSA-N 2 1 276.399 3.133 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000563957020 322016359 /nfs/dbraw/zinc/01/63/59/322016359.db2.gz CSUBSOBSQPWXBV-ZDUSSCGKSA-N 2 1 286.341 3.185 20 0 CGADMP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000565157253 322063133 /nfs/dbraw/zinc/06/31/33/322063133.db2.gz NDUGPXLRUNBWJA-LPHOPBHVSA-N 2 1 297.446 3.478 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000565157253 322063135 /nfs/dbraw/zinc/06/31/35/322063135.db2.gz NDUGPXLRUNBWJA-LPHOPBHVSA-N 2 1 297.446 3.478 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000565223842 322067635 /nfs/dbraw/zinc/06/76/35/322067635.db2.gz YPPMPXNJVYRWSO-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000565223842 322067637 /nfs/dbraw/zinc/06/76/37/322067637.db2.gz YPPMPXNJVYRWSO-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC000565709109 322087789 /nfs/dbraw/zinc/08/77/89/322087789.db2.gz ODQMXAKZVNDSHT-LSDHHAIUSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC000565709109 322087792 /nfs/dbraw/zinc/08/77/92/322087792.db2.gz ODQMXAKZVNDSHT-LSDHHAIUSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000565992647 322099609 /nfs/dbraw/zinc/09/96/09/322099609.db2.gz FVTFJEFAEHZVHT-HUUCEWRRSA-N 2 1 263.429 3.157 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(C)C)[C@@H]2CCC[C@H]21 ZINC000566000570 322100138 /nfs/dbraw/zinc/10/01/38/322100138.db2.gz JOHMLSNZOXKDAC-YHUYYLMFSA-N 2 1 264.457 3.275 20 0 CGADMP c1nc(C2CCCCC2)sc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000566056205 322101989 /nfs/dbraw/zinc/10/19/89/322101989.db2.gz XFROJCBDGVXPHG-ZDUSSCGKSA-N 2 1 293.480 3.280 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000566088274 322103859 /nfs/dbraw/zinc/10/38/59/322103859.db2.gz GAIWAQNPOIRDEM-HNNXBMFYSA-N 2 1 296.842 3.451 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000566764249 322137062 /nfs/dbraw/zinc/13/70/62/322137062.db2.gz FXYHDWWECOMVFV-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000566764249 322137064 /nfs/dbraw/zinc/13/70/64/322137064.db2.gz FXYHDWWECOMVFV-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(-c2cccs2)n1 ZINC000566796958 322138527 /nfs/dbraw/zinc/13/85/27/322138527.db2.gz PNADDCAOENSYPH-VHSXEESVSA-N 2 1 281.450 3.087 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)ccc1F ZINC000566863665 322141374 /nfs/dbraw/zinc/14/13/74/322141374.db2.gz FVHYFKFDXXBKSD-CYBMUJFWSA-N 2 1 275.371 3.151 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000567363410 322160588 /nfs/dbraw/zinc/16/05/88/322160588.db2.gz DZJOKSKDFDHLSG-HNNXBMFYSA-N 2 1 271.408 3.354 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000567363410 322160589 /nfs/dbraw/zinc/16/05/89/322160589.db2.gz DZJOKSKDFDHLSG-HNNXBMFYSA-N 2 1 271.408 3.354 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1coc(-c2ccccc2)n1 ZINC000568799888 322223096 /nfs/dbraw/zinc/22/30/96/322223096.db2.gz GJMONIKKPCCDPE-WMLDXEAASA-N 2 1 299.418 3.114 20 0 CGADMP CC(C)Cc1ncc(CNC[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000568799948 322223141 /nfs/dbraw/zinc/22/31/41/322223141.db2.gz JBKUAHZUHATLAC-CQSZACIVSA-N 2 1 295.496 3.162 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000568799948 322223143 /nfs/dbraw/zinc/22/31/43/322223143.db2.gz JBKUAHZUHATLAC-CQSZACIVSA-N 2 1 295.496 3.162 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000568799948 322223145 /nfs/dbraw/zinc/22/31/45/322223145.db2.gz JBKUAHZUHATLAC-CQSZACIVSA-N 2 1 295.496 3.162 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000569172259 322237721 /nfs/dbraw/zinc/23/77/21/322237721.db2.gz ISLWBRSRSGQYAV-YQFWSFKMSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000569172259 322237724 /nfs/dbraw/zinc/23/77/24/322237724.db2.gz ISLWBRSRSGQYAV-YQFWSFKMSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000569172259 322237726 /nfs/dbraw/zinc/23/77/26/322237726.db2.gz ISLWBRSRSGQYAV-YQFWSFKMSA-N 2 1 288.435 3.319 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000569200041 322239021 /nfs/dbraw/zinc/23/90/21/322239021.db2.gz BAPAJKFJRVOFGR-INIZCTEOSA-N 2 1 275.440 3.120 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000569863160 322259194 /nfs/dbraw/zinc/25/91/94/322259194.db2.gz MDXFMZLZEYVEKB-CRAIPNDOSA-N 2 1 298.430 3.420 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000570094008 322264668 /nfs/dbraw/zinc/26/46/68/322264668.db2.gz WXMFJQUJKIGVED-IUCAKERBSA-N 2 1 261.196 3.209 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1C(F)(F)F ZINC000571892061 322311025 /nfs/dbraw/zinc/31/10/25/322311025.db2.gz VDTVFPXCNRGXRS-WCQYABFASA-N 2 1 286.341 3.325 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000571991791 322314835 /nfs/dbraw/zinc/31/48/35/322314835.db2.gz VWXQCRIHTOLPSQ-AWEZNQCLSA-N 2 1 282.815 3.143 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000572527266 322341779 /nfs/dbraw/zinc/34/17/79/322341779.db2.gz XUUCXJOWHVVWST-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000572527266 322341782 /nfs/dbraw/zinc/34/17/82/322341782.db2.gz XUUCXJOWHVVWST-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000572527266 322341786 /nfs/dbraw/zinc/34/17/86/322341786.db2.gz XUUCXJOWHVVWST-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCc1cncn1C ZINC000572981205 322364851 /nfs/dbraw/zinc/36/48/51/322364851.db2.gz VGQZCITTWGBIKO-QAPCUYQASA-N 2 1 283.419 3.231 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000572981205 322364852 /nfs/dbraw/zinc/36/48/52/322364852.db2.gz VGQZCITTWGBIKO-QAPCUYQASA-N 2 1 283.419 3.231 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000572981205 322364855 /nfs/dbraw/zinc/36/48/55/322364855.db2.gz VGQZCITTWGBIKO-QAPCUYQASA-N 2 1 283.419 3.231 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000573487975 322390661 /nfs/dbraw/zinc/39/06/61/322390661.db2.gz MXRNYZZZLUGSLU-NZSAHSFTSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573487975 322390663 /nfs/dbraw/zinc/39/06/63/322390663.db2.gz MXRNYZZZLUGSLU-NZSAHSFTSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573487975 322390665 /nfs/dbraw/zinc/39/06/65/322390665.db2.gz MXRNYZZZLUGSLU-NZSAHSFTSA-N 2 1 284.447 3.240 20 0 CGADMP Clc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1Cl ZINC000582496343 329101155 /nfs/dbraw/zinc/10/11/55/329101155.db2.gz CJNKINYNNDQPJX-UHFFFAOYSA-N 2 1 273.207 3.179 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000582853392 329280432 /nfs/dbraw/zinc/28/04/32/329280432.db2.gz CHULQLZXFBMXJV-QGZVFWFLSA-N 2 1 287.382 3.329 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000582853392 329280434 /nfs/dbraw/zinc/28/04/34/329280434.db2.gz CHULQLZXFBMXJV-QGZVFWFLSA-N 2 1 287.382 3.329 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000583149542 329322828 /nfs/dbraw/zinc/32/28/28/329322828.db2.gz ULXYCWVZAUDQIP-KBPBESRZSA-N 2 1 266.404 3.248 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000583149542 329322829 /nfs/dbraw/zinc/32/28/29/329322829.db2.gz ULXYCWVZAUDQIP-KBPBESRZSA-N 2 1 266.404 3.248 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000583139164 329325756 /nfs/dbraw/zinc/32/57/56/329325756.db2.gz DTPNZTPCICKALX-QGZVFWFLSA-N 2 1 275.440 3.301 20 0 CGADMP CCC[N@H+](CCCc1c[nH+]cn1C)CCc1cccs1 ZINC000580445489 330139448 /nfs/dbraw/zinc/13/94/48/330139448.db2.gz ALGBUBQEFSJVCQ-UHFFFAOYSA-N 2 1 291.464 3.369 20 0 CGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)CCc1cccs1 ZINC000580445489 330139449 /nfs/dbraw/zinc/13/94/49/330139449.db2.gz ALGBUBQEFSJVCQ-UHFFFAOYSA-N 2 1 291.464 3.369 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000576420480 335201677 /nfs/dbraw/zinc/20/16/77/335201677.db2.gz RMUUWJPZPKFEJU-DGAVXFQQSA-N 2 1 292.389 3.285 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576822325 335252030 /nfs/dbraw/zinc/25/20/30/335252030.db2.gz BFGQSKADLMVSLU-MJGOQNOKSA-N 2 1 286.463 3.331 20 0 CGADMP Cc1ccc2cc[nH+]c(N(C)CC[C@@H]([NH3+])C(C)C)c2c1 ZINC000581131535 336013191 /nfs/dbraw/zinc/01/31/91/336013191.db2.gz KOLUDFQLOLATQV-MRXNPFEDSA-N 2 1 271.408 3.353 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380937486 336039800 /nfs/dbraw/zinc/03/98/00/336039800.db2.gz KPZOAHZYGIBRRF-IRXDYDNUSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000381057711 336047210 /nfs/dbraw/zinc/04/72/10/336047210.db2.gz UKGVYKLPAUQOEQ-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000381057711 336047211 /nfs/dbraw/zinc/04/72/11/336047211.db2.gz UKGVYKLPAUQOEQ-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)(C)C(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000381052261 336047392 /nfs/dbraw/zinc/04/73/92/336047392.db2.gz ZHXGWPBJEPLUFQ-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000581456588 336080216 /nfs/dbraw/zinc/08/02/16/336080216.db2.gz LRCDEUPJIPUCTA-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000581456588 336080217 /nfs/dbraw/zinc/08/02/17/336080217.db2.gz LRCDEUPJIPUCTA-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000581488470 336088427 /nfs/dbraw/zinc/08/84/27/336088427.db2.gz JKUGNAKRNQTHTF-JQHSSLGASA-N 2 1 274.452 3.485 20 0 CGADMP C[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)CC1CCCCC1 ZINC000581834204 336149726 /nfs/dbraw/zinc/14/97/26/336149726.db2.gz IUYYGGUSPKPRBF-INIZCTEOSA-N 2 1 296.499 3.029 20 0 CGADMP CSCC1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000385619824 336152865 /nfs/dbraw/zinc/15/28/65/336152865.db2.gz DRGWNHHHRHMOHO-UHFFFAOYSA-N 2 1 272.502 3.228 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000385864703 336158208 /nfs/dbraw/zinc/15/82/08/336158208.db2.gz SUVHASYBFYHFBZ-AOTHYSKPSA-N 2 1 284.513 3.227 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359216017 533789152 /nfs/dbraw/zinc/78/91/52/533789152.db2.gz JGXGWHASMFDSLS-GOSISDBHSA-N 2 1 288.435 3.222 20 0 CGADMP COc1cccc2c(C[N@@H+](C)C[C@H]3CC[NH+](C)C3)cccc12 ZINC000449264978 533833850 /nfs/dbraw/zinc/83/38/50/533833850.db2.gz OHFSWSPUTNEHLK-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP COc1cccc2c(C[NH+](C)C[C@H]3CC[N@H+](C)C3)cccc12 ZINC000449264978 533833854 /nfs/dbraw/zinc/83/38/54/533833854.db2.gz OHFSWSPUTNEHLK-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP COc1cccc2c(C[NH+](C)C[C@H]3CC[N@@H+](C)C3)cccc12 ZINC000449264978 533833856 /nfs/dbraw/zinc/83/38/56/533833856.db2.gz OHFSWSPUTNEHLK-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-c2ccncc2)cc1 ZINC000423343182 533834913 /nfs/dbraw/zinc/83/49/13/533834913.db2.gz ZJUXTIUOFUOJIK-AWEZNQCLSA-N 2 1 281.403 3.281 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359215954 534041352 /nfs/dbraw/zinc/04/13/52/534041352.db2.gz KQHFHYWOIDEVFZ-LBPRGKRZSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccs1 ZINC000037644216 535804729 /nfs/dbraw/zinc/80/47/29/535804729.db2.gz IZMPJXOOCRLFQB-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)C ZINC000089594984 535897199 /nfs/dbraw/zinc/89/71/99/535897199.db2.gz FFBUQDLDCLBRCM-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000449085019 534258442 /nfs/dbraw/zinc/25/84/42/534258442.db2.gz ZSGXVDZSABPWPH-JKSUJKDBSA-N 2 1 278.440 3.455 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000081568461 521496792 /nfs/dbraw/zinc/49/67/92/521496792.db2.gz MKWNFPCJYZVYMK-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000081568461 521496803 /nfs/dbraw/zinc/49/68/03/521496803.db2.gz MKWNFPCJYZVYMK-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000081568461 521496813 /nfs/dbraw/zinc/49/68/13/521496813.db2.gz MKWNFPCJYZVYMK-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(C)s2)CC1 ZINC000080240138 521581055 /nfs/dbraw/zinc/58/10/55/521581055.db2.gz NXHUNCGLXIZMKK-LBPRGKRZSA-N 2 1 266.454 3.061 20 0 CGADMP Cc1occc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000414326920 534576133 /nfs/dbraw/zinc/57/61/33/534576133.db2.gz OAYRLQRDTGSBOA-SFHVURJKSA-N 2 1 298.430 3.242 20 0 CGADMP Cc1occc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000414326920 534576135 /nfs/dbraw/zinc/57/61/35/534576135.db2.gz OAYRLQRDTGSBOA-SFHVURJKSA-N 2 1 298.430 3.242 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508504 534638296 /nfs/dbraw/zinc/63/82/96/534638296.db2.gz OXAQFMSLSRAKSM-UHFFFAOYSA-N 2 1 292.854 3.348 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)F)c1)CC(C)(C)C[NH3+] ZINC000156101561 523299556 /nfs/dbraw/zinc/29/95/56/523299556.db2.gz FQVZYABTHKTANK-UHFFFAOYSA-N 2 1 256.340 3.041 20 0 CGADMP CCc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337276018 523920975 /nfs/dbraw/zinc/92/09/75/523920975.db2.gz QPUMEPZMMKRSFZ-UHFFFAOYSA-N 2 1 260.425 3.167 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337276018 523920979 /nfs/dbraw/zinc/92/09/79/523920979.db2.gz QPUMEPZMMKRSFZ-UHFFFAOYSA-N 2 1 260.425 3.167 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)CCC2 ZINC000278875028 525506089 /nfs/dbraw/zinc/50/60/89/525506089.db2.gz CCLXLFWEXICXBK-HUUCEWRRSA-N 2 1 295.430 3.285 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000156579529 525615905 /nfs/dbraw/zinc/61/59/05/525615905.db2.gz XYPSTFCQUBHVOO-OBJOEFQTSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000156579529 525615915 /nfs/dbraw/zinc/61/59/15/525615915.db2.gz XYPSTFCQUBHVOO-OBJOEFQTSA-N 2 1 289.448 3.430 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157460069 526382551 /nfs/dbraw/zinc/38/25/51/526382551.db2.gz GYZKVPHBPZQVPS-XYQBIQKZSA-N 2 1 288.410 3.288 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000111359984 526753765 /nfs/dbraw/zinc/75/37/65/526753765.db2.gz NVGZTJKRGUERAN-LBPRGKRZSA-N 2 1 281.469 3.287 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449089537 527814984 /nfs/dbraw/zinc/81/49/84/527814984.db2.gz KDRURIWBFRRYIH-KLHKWILBSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288616 527818911 /nfs/dbraw/zinc/81/89/11/527818911.db2.gz QUWNVETUQYDMMC-BHYGNILZSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288616 527818919 /nfs/dbraw/zinc/81/89/19/527818919.db2.gz QUWNVETUQYDMMC-BHYGNILZSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288616 527818923 /nfs/dbraw/zinc/81/89/23/527818923.db2.gz QUWNVETUQYDMMC-BHYGNILZSA-N 2 1 264.457 3.252 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310822 527851445 /nfs/dbraw/zinc/85/14/45/527851445.db2.gz VHZWBQIOWRZKRQ-FHLIZLRMSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310822 527851449 /nfs/dbraw/zinc/85/14/49/527851449.db2.gz VHZWBQIOWRZKRQ-FHLIZLRMSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310822 527851454 /nfs/dbraw/zinc/85/14/54/527851454.db2.gz VHZWBQIOWRZKRQ-FHLIZLRMSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310822 527851458 /nfs/dbraw/zinc/85/14/58/527851458.db2.gz VHZWBQIOWRZKRQ-FHLIZLRMSA-N 2 1 290.426 3.345 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423272821 528310440 /nfs/dbraw/zinc/31/04/40/528310440.db2.gz ZLFODGHRVFJURH-AAEUAGOBSA-N 2 1 277.437 3.320 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000423281313 528314990 /nfs/dbraw/zinc/31/49/90/528314990.db2.gz UFPNYNCKTINEMH-AVGNSLFASA-N 2 1 281.469 3.435 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423249877 528332176 /nfs/dbraw/zinc/33/21/76/528332176.db2.gz SSNJMFJYKWMLKP-GARJFASQSA-N 2 1 272.845 3.093 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423259916 528531242 /nfs/dbraw/zinc/53/12/42/528531242.db2.gz GBJOUYVFRBTPPK-IUCAKERBSA-N 2 1 291.258 3.145 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423261351 528534232 /nfs/dbraw/zinc/53/42/32/528534232.db2.gz JUHDUIIVKRDMAH-GWCFXTLKSA-N 2 1 285.229 3.083 20 0 CGADMP CCOc1cccc2cc([C@H](C)[NH2+]CC3([NH3+])CCC3)oc21 ZINC000423317157 528699219 /nfs/dbraw/zinc/69/92/19/528699219.db2.gz CLDVCIOZYQWFDE-LBPRGKRZSA-N 2 1 288.391 3.364 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000423297122 528823166 /nfs/dbraw/zinc/82/31/66/528823166.db2.gz IUVNOSSFKHLVAK-YPMHNXCESA-N 2 1 286.366 3.456 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000411629829 528863324 /nfs/dbraw/zinc/86/33/24/528863324.db2.gz FJWXISVRMMMXLZ-OAHLLOKOSA-N 2 1 293.455 3.115 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000411629829 528863326 /nfs/dbraw/zinc/86/33/26/528863326.db2.gz FJWXISVRMMMXLZ-OAHLLOKOSA-N 2 1 293.455 3.115 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423297682 528957170 /nfs/dbraw/zinc/95/71/70/528957170.db2.gz LIIKYFNDXWCXLV-SIXLDLHFSA-N 2 1 260.425 3.286 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000423297280 528958689 /nfs/dbraw/zinc/95/86/89/528958689.db2.gz JPXWTENFHAOFQU-HZPDHXFCSA-N 2 1 292.423 3.031 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(F)ccc1F ZINC000425938505 529121581 /nfs/dbraw/zinc/12/15/81/529121581.db2.gz XLDNDHUHHFKAGY-WBMJQRKESA-N 2 1 284.394 3.449 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000423325193 529176717 /nfs/dbraw/zinc/17/67/17/529176717.db2.gz BNWTVYXNWKRFEO-BXUZGUMPSA-N 2 1 297.240 3.099 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000423315893 529178742 /nfs/dbraw/zinc/17/87/42/529178742.db2.gz JGEAOXAZZLCGMD-UONOGXRCSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000369465800 529207999 /nfs/dbraw/zinc/20/79/99/529207999.db2.gz VSCHTBQKEZSJOK-SWLSCSKDSA-N 2 1 291.345 3.217 20 0 CGADMP CC[C@H](C[NH2+]CCCCOc1ccccc1)[NH+]1CCCC1 ZINC000438076330 529360901 /nfs/dbraw/zinc/36/09/01/529360901.db2.gz HMLQWXCMLVHGDQ-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000177819098 529369776 /nfs/dbraw/zinc/36/97/76/529369776.db2.gz QMIGUHCRDJAWNC-BFYDXBDKSA-N 2 1 260.425 3.253 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000191572832 535503079 /nfs/dbraw/zinc/50/30/79/535503079.db2.gz AVOYZUPQHZEYKL-AWEZNQCLSA-N 2 1 264.413 3.117 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000191572832 535503081 /nfs/dbraw/zinc/50/30/81/535503081.db2.gz AVOYZUPQHZEYKL-AWEZNQCLSA-N 2 1 264.413 3.117 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000480693096 535908604 /nfs/dbraw/zinc/90/86/04/535908604.db2.gz JBRUZQNRVKVWOJ-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP c1cc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)cs1 ZINC000299739345 567149113 /nfs/dbraw/zinc/14/91/13/567149113.db2.gz NMNUXARXIHTYBZ-AWEZNQCLSA-N 2 1 287.432 3.270 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000336187628 571788067 /nfs/dbraw/zinc/78/80/67/571788067.db2.gz NCKDXAOMMBEFEH-GJZGRUSLSA-N 2 1 286.410 3.372 20 0 CGADMP CC(C)[N@@H+](C)CC1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000728571820 571811127 /nfs/dbraw/zinc/81/11/27/571811127.db2.gz LSLJPABGILABJU-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000728571820 571811132 /nfs/dbraw/zinc/81/11/32/571811132.db2.gz LSLJPABGILABJU-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000728571820 571811137 /nfs/dbraw/zinc/81/11/37/571811137.db2.gz LSLJPABGILABJU-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1CCCc2cccnc21 ZINC000252558425 571924715 /nfs/dbraw/zinc/92/47/15/571924715.db2.gz USCUIMAFKIARKM-RDJZCZTQSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000252558425 571924718 /nfs/dbraw/zinc/92/47/18/571924718.db2.gz USCUIMAFKIARKM-RDJZCZTQSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000252558425 571924720 /nfs/dbraw/zinc/92/47/20/571924720.db2.gz USCUIMAFKIARKM-RDJZCZTQSA-N 2 1 287.451 3.313 20 0 CGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000877539653 619399901 /nfs/dbraw/zinc/39/99/01/619399901.db2.gz QQLNCDVNPOUQEX-PJIJBLCYSA-N 2 1 292.404 3.028 20 0 CGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000877539653 619399904 /nfs/dbraw/zinc/39/99/04/619399904.db2.gz QQLNCDVNPOUQEX-PJIJBLCYSA-N 2 1 292.404 3.028 20 0 CGADMP c1cc2c(s1)CC[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000093678027 618222006 /nfs/dbraw/zinc/22/20/06/618222006.db2.gz CXKIMAQGNPTNBP-LQDVMPOASA-N 2 1 276.449 3.027 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)CC1CC[NH+](C)CC1 ZINC000891624220 618242749 /nfs/dbraw/zinc/24/27/49/618242749.db2.gz WBMKKBZVXLXRFQ-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)s1 ZINC000091844706 618367377 /nfs/dbraw/zinc/36/73/77/618367377.db2.gz UGWZPMDKDYQQFC-UHFFFAOYSA-N 2 1 252.427 3.012 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224195139 618665718 /nfs/dbraw/zinc/66/57/18/618665718.db2.gz UVKKNJGAYRBNFC-FZMZJTMJSA-N 2 1 252.789 3.072 20 0 CGADMP CCC1CCC([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051919194 618667025 /nfs/dbraw/zinc/66/70/25/618667025.db2.gz OBAXBLLZUMHWKG-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926685384 618820367 /nfs/dbraw/zinc/82/03/67/618820367.db2.gz GOOJMUHMIRMRLM-HNSVSWJLSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1cc(F)ncc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000892583798 618867816 /nfs/dbraw/zinc/86/78/16/618867816.db2.gz FMKBLLWJGZZOEC-HNNXBMFYSA-N 2 1 293.430 3.273 20 0 CGADMP C[C@H](C[NH2+]Cc1ccccc1Cl)C[NH+]1CCCC1 ZINC000057993868 618894474 /nfs/dbraw/zinc/89/44/74/618894474.db2.gz KKZLUHORSOXZFA-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892763357 618933872 /nfs/dbraw/zinc/93/38/72/618933872.db2.gz LBEYNYSNTGMJQC-JTQLQIEISA-N 2 1 274.330 3.193 20 0 CGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000925514438 619008557 /nfs/dbraw/zinc/00/85/57/619008557.db2.gz OKKRQBFVLHEFLS-HUUCEWRRSA-N 2 1 299.418 3.337 20 0 CGADMP COCCC1(C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CCCC1 ZINC000925556045 619056227 /nfs/dbraw/zinc/05/62/27/619056227.db2.gz JPWGRUVPXNOYHV-DOTOQJQBSA-N 2 1 290.451 3.261 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000054242086 619156852 /nfs/dbraw/zinc/15/68/52/619156852.db2.gz HOIWPHSCUZUOFL-PNESKVBLSA-N 2 1 278.362 3.039 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1 ZINC000925720009 619164938 /nfs/dbraw/zinc/16/49/38/619164938.db2.gz COHICAKCPJTIPK-DRBLLZIRSA-N 2 1 258.409 3.101 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C(F)(F)F ZINC000925734440 619209050 /nfs/dbraw/zinc/20/90/50/619209050.db2.gz PNSANQOEVMYPNZ-WDEREUQCSA-N 2 1 266.351 3.085 20 0 CGADMP CCC(CC)(C[NH2+][C@H]1CCC[NH2+][C@H]1C)C(F)(F)F ZINC000925734439 619209185 /nfs/dbraw/zinc/20/91/85/619209185.db2.gz PNSANQOEVMYPNZ-QWRGUYRKSA-N 2 1 266.351 3.085 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(F)c1 ZINC000093678048 619209456 /nfs/dbraw/zinc/20/94/56/619209456.db2.gz JWMFANHZYQVDFS-FUCXHRTASA-N 2 1 276.399 3.178 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCCC1 ZINC000925793094 619250761 /nfs/dbraw/zinc/25/07/61/619250761.db2.gz HRZCJHLTQUODRQ-IAGOWNOFSA-N 2 1 294.483 3.094 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925810476 619258664 /nfs/dbraw/zinc/25/86/64/619258664.db2.gz ALGIBOWTQCHMBU-FMKPAKJESA-N 2 1 273.424 3.313 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)C(C)C ZINC000924907017 619433036 /nfs/dbraw/zinc/43/30/36/619433036.db2.gz AKRNEXYQHYYXJR-WMZOPIPTSA-N 2 1 289.467 3.113 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)C(C)C ZINC000924907017 619433039 /nfs/dbraw/zinc/43/30/39/619433039.db2.gz AKRNEXYQHYYXJR-WMZOPIPTSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000261921155 619475684 /nfs/dbraw/zinc/47/56/84/619475684.db2.gz BPNCDELUJKQDKX-BBRMVZONSA-N 2 1 278.827 3.129 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000925010203 619489569 /nfs/dbraw/zinc/48/95/69/619489569.db2.gz LGJYDJPTYXZTQE-ZIAGYGMSSA-N 2 1 272.392 3.425 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000262022065 619528110 /nfs/dbraw/zinc/52/81/10/619528110.db2.gz WHAFCPPNAQABMI-NWDGAFQWSA-N 2 1 286.341 3.183 20 0 CGADMP C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC000894428167 619532602 /nfs/dbraw/zinc/53/26/02/619532602.db2.gz REXADTICNRQUOB-BETUJISGSA-N 2 1 298.434 3.194 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000262045413 619575608 /nfs/dbraw/zinc/57/56/08/619575608.db2.gz YXKBEWFDENQAIH-LBPRGKRZSA-N 2 1 286.341 3.055 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C/c2cccc(F)c2)C1 ZINC000894781667 619633806 /nfs/dbraw/zinc/63/38/06/619633806.db2.gz HBPXYHYGOOVMDR-AWHHDIADSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C/c2cccc(F)c2)C1 ZINC000894781667 619633812 /nfs/dbraw/zinc/63/38/12/619633812.db2.gz HBPXYHYGOOVMDR-AWHHDIADSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C/c2cccc(F)c2)C1 ZINC000894781667 619633819 /nfs/dbraw/zinc/63/38/19/619633819.db2.gz HBPXYHYGOOVMDR-AWHHDIADSA-N 2 1 288.410 3.255 20 0 CGADMP Fc1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262094978 619704888 /nfs/dbraw/zinc/70/48/88/619704888.db2.gz HVQJARRKFZZUCT-UHFFFAOYSA-N 2 1 282.790 3.055 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccc(SC(F)F)cc1)[NH+](C)C ZINC000895296208 619799364 /nfs/dbraw/zinc/79/93/64/619799364.db2.gz BAHGLJPVMVQDIC-NSHDSACASA-N 2 1 288.407 3.431 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccc(SC(F)F)cc1)[NH+](C)C ZINC000895296207 619799522 /nfs/dbraw/zinc/79/95/22/619799522.db2.gz BAHGLJPVMVQDIC-LLVKDONJSA-N 2 1 288.407 3.431 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)sn1 ZINC000895375855 619816998 /nfs/dbraw/zinc/81/69/98/619816998.db2.gz FBDSZEZOJZWIAM-WFASDCNBSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)sn1 ZINC000895375855 619817000 /nfs/dbraw/zinc/81/70/00/619817000.db2.gz FBDSZEZOJZWIAM-WFASDCNBSA-N 2 1 281.469 3.004 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000895553939 619849140 /nfs/dbraw/zinc/84/91/40/619849140.db2.gz NSTNXNRBUIEOCF-QGZVFWFLSA-N 2 1 292.467 3.410 20 0 CGADMP Cc1ccoc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683542 619872643 /nfs/dbraw/zinc/87/26/43/619872643.db2.gz NFHLLJUDDUUJTN-UHFFFAOYSA-N 2 1 264.413 3.286 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc2c1 ZINC000262552116 620206472 /nfs/dbraw/zinc/20/64/72/620206472.db2.gz SQEDIRJUPZNRHY-KDOFPFPSSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245146 620283552 /nfs/dbraw/zinc/28/35/52/620283552.db2.gz YHKUHYSRBMIRCS-ZIAGYGMSSA-N 2 1 260.425 3.326 20 0 CGADMP C1=CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000898032171 620469893 /nfs/dbraw/zinc/46/98/93/620469893.db2.gz LIKHDRPPOLGEIQ-ULQDDVLXSA-N 2 1 262.441 3.339 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC000054601829 620577679 /nfs/dbraw/zinc/57/76/79/620577679.db2.gz IGGJAEBKVVNVDB-GOOCMWNKSA-N 2 1 264.800 3.184 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC000054601829 620577681 /nfs/dbraw/zinc/57/76/81/620577681.db2.gz IGGJAEBKVVNVDB-GOOCMWNKSA-N 2 1 264.800 3.184 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C1 ZINC000902351141 621284034 /nfs/dbraw/zinc/28/40/34/621284034.db2.gz CVPZNXVOMWTNST-OCCSQVGLSA-N 2 1 294.826 3.141 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902359840 621289856 /nfs/dbraw/zinc/28/98/56/621289856.db2.gz HHLWASADMLVCHX-IPYPFGDCSA-N 2 1 276.424 3.271 20 0 CGADMP CSc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385374 621300416 /nfs/dbraw/zinc/30/04/16/621300416.db2.gz SOZJVQMQDCRJAC-LBPRGKRZSA-N 2 1 296.455 3.415 20 0 CGADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902412770 621301667 /nfs/dbraw/zinc/30/16/67/621301667.db2.gz DMDVRLYRQUZYKA-HNNXBMFYSA-N 2 1 280.843 3.378 20 0 CGADMP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)cc1 ZINC000902466901 621339374 /nfs/dbraw/zinc/33/93/74/621339374.db2.gz OLPAMWXNJPSYCF-LMLQULGWSA-N 2 1 290.838 3.459 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H](C)c1ccc(Cl)cc1 ZINC000902467624 621339683 /nfs/dbraw/zinc/33/96/83/621339683.db2.gz PUEJXSWZKAASND-HUEQCLLISA-N 2 1 278.827 3.315 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(C(F)F)c(F)c1)C[NH+](C)C ZINC000902571899 621376903 /nfs/dbraw/zinc/37/69/03/621376903.db2.gz PDJPNXZPKZOTCA-SNVBAGLBSA-N 2 1 274.330 3.051 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCSC(C)(C)C)C1 ZINC000801925284 621392856 /nfs/dbraw/zinc/39/28/56/621392856.db2.gz KUAZPKWUZBGPPX-OAHLLOKOSA-N 2 1 284.513 3.182 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCSC(C)(C)C)C1 ZINC000801925284 621392859 /nfs/dbraw/zinc/39/28/59/621392859.db2.gz KUAZPKWUZBGPPX-OAHLLOKOSA-N 2 1 284.513 3.182 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000801925284 621392860 /nfs/dbraw/zinc/39/28/60/621392860.db2.gz KUAZPKWUZBGPPX-OAHLLOKOSA-N 2 1 284.513 3.182 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902727009 621414897 /nfs/dbraw/zinc/41/48/97/621414897.db2.gz WIOPCJXNTSKZEH-WMZOPIPTSA-N 2 1 294.483 3.046 20 0 CGADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903112195 621592779 /nfs/dbraw/zinc/59/27/79/621592779.db2.gz ZONJJHNAJFESTQ-VHRNVKJDSA-N 2 1 262.441 3.314 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147717 621610104 /nfs/dbraw/zinc/61/01/04/621610104.db2.gz MULQKCVOURPMFD-CZIKEKGBSA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903194480 621621325 /nfs/dbraw/zinc/62/13/25/621621325.db2.gz NRPNVONZNOIVTP-JQZGTUITSA-N 2 1 292.467 3.080 20 0 CGADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H]2C[C@H]2C1 ZINC000903206043 621628740 /nfs/dbraw/zinc/62/87/40/621628740.db2.gz GWNIYUMEGCKQLU-XITBCQKSSA-N 2 1 274.452 3.170 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)c1cccnc1 ZINC000903378544 621721609 /nfs/dbraw/zinc/72/16/09/621721609.db2.gz QPGBAKPOHYAOIF-RKVPGOIHSA-N 2 1 287.451 3.243 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000903434816 621745027 /nfs/dbraw/zinc/74/50/27/621745027.db2.gz KMYIOUMLJDVYND-RYQLBKOJSA-N 2 1 272.436 3.384 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)C1 ZINC000903434326 621745611 /nfs/dbraw/zinc/74/56/11/621745611.db2.gz CDRPXLDPXMXUSG-CMPLNLGQSA-N 2 1 299.245 3.479 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903438424 621747234 /nfs/dbraw/zinc/74/72/34/621747234.db2.gz VJJXSCHFBMPNOK-NJAFHUGGSA-N 2 1 272.436 3.168 20 0 CGADMP CCSc1ccccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000903450092 621760101 /nfs/dbraw/zinc/76/01/01/621760101.db2.gz LRBSYYIHWOIYPG-UHFFFAOYSA-N 2 1 264.438 3.112 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903729554 621797646 /nfs/dbraw/zinc/79/76/46/621797646.db2.gz OPXVLAZZJYBLSA-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765038 621803101 /nfs/dbraw/zinc/80/31/01/621803101.db2.gz XAPOQOJQFXGEDI-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1cccc(F)c1F ZINC000903757068 621803860 /nfs/dbraw/zinc/80/38/60/621803860.db2.gz BFGRZHZZLRGZDQ-RYUDHWBXSA-N 2 1 268.351 3.005 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903875939 621825249 /nfs/dbraw/zinc/82/52/49/621825249.db2.gz UJSOYYYMIZBPNX-IAGOWNOFSA-N 2 1 282.472 3.034 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878913 621825296 /nfs/dbraw/zinc/82/52/96/621825296.db2.gz NEPWIMQJIMWGHO-MACMSNGSSA-N 2 1 276.399 3.349 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000903893045 621827329 /nfs/dbraw/zinc/82/73/29/621827329.db2.gz PAJKQTTXDKFGGD-GFCCVEGCSA-N 2 1 260.372 3.015 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000903893045 621827330 /nfs/dbraw/zinc/82/73/30/621827330.db2.gz PAJKQTTXDKFGGD-GFCCVEGCSA-N 2 1 260.372 3.015 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903925652 621834008 /nfs/dbraw/zinc/83/40/08/621834008.db2.gz PEAREWQFBYUPIC-GJZGRUSLSA-N 2 1 284.394 3.360 20 0 CGADMP CC1(C)[C@H](c2ccccc2)CC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903930354 621834630 /nfs/dbraw/zinc/83/46/30/621834630.db2.gz YCUUJVANFJTGCL-KBPBESRZSA-N 2 1 282.378 3.237 20 0 CGADMP CC1(C)[C@H](c2ccccc2)CC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903930354 621834631 /nfs/dbraw/zinc/83/46/31/621834631.db2.gz YCUUJVANFJTGCL-KBPBESRZSA-N 2 1 282.378 3.237 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+]CCC(C)(C)[NH3+])cs2)cc1 ZINC000903938451 621836304 /nfs/dbraw/zinc/83/63/04/621836304.db2.gz BFRULBWRBCYQBP-UHFFFAOYSA-N 2 1 289.448 3.336 20 0 CGADMP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903916264 621836392 /nfs/dbraw/zinc/83/63/92/621836392.db2.gz GEDPQVQXUJLTGN-XHDPSFHLSA-N 2 1 298.352 3.105 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1CC[NH3+] ZINC000903977498 621844745 /nfs/dbraw/zinc/84/47/45/621844745.db2.gz QRHGVNLGNUOTGS-CRAIPNDOSA-N 2 1 295.430 3.165 20 0 CGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309917 621902908 /nfs/dbraw/zinc/90/29/08/621902908.db2.gz SWEGYDISJOGQSY-RHNCMZPLSA-N 2 1 268.404 3.399 20 0 CGADMP C[N@H+](Cc1csc2ccccc12)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311801 621903259 /nfs/dbraw/zinc/90/32/59/621903259.db2.gz HOHVFJCFRNAUFM-BJHJDKERSA-N 2 1 260.406 3.070 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000904313155 621904268 /nfs/dbraw/zinc/90/42/68/621904268.db2.gz RNSHJCPUMHYTQF-CFVMTHIKSA-N 2 1 278.827 3.084 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C[C@H]([NH3+])CCC(C)(C)C)CCOCC2 ZINC000904373595 621914306 /nfs/dbraw/zinc/91/43/06/621914306.db2.gz GBLFRTODFBZDIW-LSDHHAIUSA-N 2 1 282.472 3.031 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411176 621919133 /nfs/dbraw/zinc/91/91/33/621919133.db2.gz JHOZXZBODRLUOG-ZBFHGGJFSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000904406742 621919176 /nfs/dbraw/zinc/91/91/76/621919176.db2.gz ZCUSALVABWAVMU-OLZOCXBDSA-N 2 1 266.816 3.114 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000151116686 622731060 /nfs/dbraw/zinc/73/10/60/622731060.db2.gz XDZQHIOYXWJFKG-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000055144464 622813961 /nfs/dbraw/zinc/81/39/61/622813961.db2.gz JCPMKEPGSAFABR-UHFFFAOYSA-N 2 1 252.789 3.042 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000057994562 622895676 /nfs/dbraw/zinc/89/56/76/622895676.db2.gz TVQIDORXQGTMHX-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000227156221 623010474 /nfs/dbraw/zinc/01/04/74/623010474.db2.gz WXMQSEGDJCAYGJ-ZACQAIPSSA-N 2 1 292.467 3.085 20 0 CGADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000227156221 623010476 /nfs/dbraw/zinc/01/04/76/623010476.db2.gz WXMQSEGDJCAYGJ-ZACQAIPSSA-N 2 1 292.467 3.085 20 0 CGADMP [NH3+]CCC[N@@H+](CCc1cccs1)Cc1ccccc1 ZINC000230022663 623186137 /nfs/dbraw/zinc/18/61/37/623186137.db2.gz MCXNMTIJTMDRBA-UHFFFAOYSA-N 2 1 274.433 3.142 20 0 CGADMP CC(C)[N@@H+](Cc1cccs1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862599 623271520 /nfs/dbraw/zinc/27/15/20/623271520.db2.gz HTFGEHDZMYMHNM-OAHLLOKOSA-N 2 1 266.454 3.348 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2C)C1 ZINC000929777188 623629751 /nfs/dbraw/zinc/62/97/51/623629751.db2.gz BWQQOCPNDLAHEY-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2C)C1 ZINC000929777188 623629754 /nfs/dbraw/zinc/62/97/54/623629754.db2.gz BWQQOCPNDLAHEY-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC)c2C)C1 ZINC000929777188 623629762 /nfs/dbraw/zinc/62/97/62/623629762.db2.gz BWQQOCPNDLAHEY-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2C)C1 ZINC000929777188 623629765 /nfs/dbraw/zinc/62/97/65/623629765.db2.gz BWQQOCPNDLAHEY-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000840778000 625664548 /nfs/dbraw/zinc/66/45/48/625664548.db2.gz CTJWISVIGYJNQS-LLVKDONJSA-N 2 1 284.363 3.044 20 0 CGADMP CC(C)(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000324342182 623800191 /nfs/dbraw/zinc/80/01/91/623800191.db2.gz DORMOUJHFJMSRB-QLFBSQMISA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000237538899 624419464 /nfs/dbraw/zinc/41/94/64/624419464.db2.gz MWNNKXUALCPUDH-LLVKDONJSA-N 2 1 295.789 3.410 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000251318153 625885326 /nfs/dbraw/zinc/88/53/26/625885326.db2.gz LSXADDZHVBJTMC-HZPDHXFCSA-N 2 1 252.446 3.134 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2sccc2C1 ZINC000020072215 634477764 /nfs/dbraw/zinc/47/77/64/634477764.db2.gz LVNINJALNBBTGZ-UHFFFAOYSA-N 2 1 252.427 3.015 20 0 CGADMP Fc1cc2c(cc1F)C[NH+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923391337 626150419 /nfs/dbraw/zinc/15/04/19/626150419.db2.gz XUEMRVNIPDSHEJ-PHTAMDTFSA-N 2 1 292.373 3.201 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923416836 626151245 /nfs/dbraw/zinc/15/12/45/626151245.db2.gz QMDNLQQTONALEA-DQXYTYHJSA-N 2 1 299.462 3.448 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493278 626158941 /nfs/dbraw/zinc/15/89/41/626158941.db2.gz RDXFFTXQKMETAH-UONOGXRCSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500714 626159601 /nfs/dbraw/zinc/15/96/01/626159601.db2.gz XFGODQNYTJAXPK-JHJVBQTASA-N 2 1 266.816 3.318 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)C1 ZINC000923526371 626161059 /nfs/dbraw/zinc/16/10/59/626161059.db2.gz PAFNXCRPCUCDFP-HLGGSHCFSA-N 2 1 270.420 3.292 20 0 CGADMP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923532044 626161763 /nfs/dbraw/zinc/16/17/63/626161763.db2.gz XRRMPFJKVGQSRU-WFASDCNBSA-N 2 1 298.883 3.408 20 0 CGADMP CCCCC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121410124 634534141 /nfs/dbraw/zinc/53/41/41/634534141.db2.gz LUCNXMPICMQWEZ-ZIAGYGMSSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000765758364 627269134 /nfs/dbraw/zinc/26/91/34/627269134.db2.gz KLPCZDLGFLKPLJ-RYUDHWBXSA-N 2 1 292.814 3.227 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](CCc1ccccc1)C1CC1 ZINC000767350052 627400483 /nfs/dbraw/zinc/40/04/83/627400483.db2.gz CMFGIOPFVUIOLJ-KRWDZBQOSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](CCc1ccccc1)C1CC1 ZINC000767350052 627400485 /nfs/dbraw/zinc/40/04/85/627400485.db2.gz CMFGIOPFVUIOLJ-KRWDZBQOSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCc1ccccc1)C1CC1 ZINC000767350052 627400488 /nfs/dbraw/zinc/40/04/88/627400488.db2.gz CMFGIOPFVUIOLJ-KRWDZBQOSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccs2)cc1 ZINC000768160071 627464259 /nfs/dbraw/zinc/46/42/59/627464259.db2.gz MWGKSLCDNBKHGF-UHFFFAOYSA-N 2 1 274.433 3.442 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC000768227675 627469609 /nfs/dbraw/zinc/46/96/09/627469609.db2.gz FDBYJMIFFJFNSS-UHFFFAOYSA-N 2 1 288.435 3.021 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC000768227675 627469610 /nfs/dbraw/zinc/46/96/10/627469610.db2.gz FDBYJMIFFJFNSS-UHFFFAOYSA-N 2 1 288.435 3.021 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000769503783 627560262 /nfs/dbraw/zinc/56/02/62/627560262.db2.gz LZJAAMSXTOGPIK-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000769503783 627560263 /nfs/dbraw/zinc/56/02/63/627560263.db2.gz LZJAAMSXTOGPIK-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cncc2ccccc21 ZINC000772917588 627832183 /nfs/dbraw/zinc/83/21/83/627832183.db2.gz ANGUJRFMTIZYRU-AWEZNQCLSA-N 2 1 294.402 3.166 20 0 CGADMP C[C@H]1CCCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774190101 627959135 /nfs/dbraw/zinc/95/91/35/627959135.db2.gz MNNYKXRKTKHQPV-BFZKSOEOSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@](C)([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000775388800 628088160 /nfs/dbraw/zinc/08/81/60/628088160.db2.gz SKYBGZHGMDSWHY-INIZCTEOSA-N 2 1 257.381 3.107 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000779054860 628385311 /nfs/dbraw/zinc/38/53/11/628385311.db2.gz YDITXKWGXDYVQL-OAHLLOKOSA-N 2 1 292.471 3.415 20 0 CGADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)c1 ZINC000781518244 628568167 /nfs/dbraw/zinc/56/81/67/628568167.db2.gz PEMCECYXWSVHNP-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC000788482958 629058066 /nfs/dbraw/zinc/05/80/66/629058066.db2.gz ZPEIYVBSXQNMHW-LJQANCHMSA-N 2 1 286.463 3.344 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000865436169 630123439 /nfs/dbraw/zinc/12/34/39/630123439.db2.gz WPUAFFFSWBOFCJ-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000865436169 630123444 /nfs/dbraw/zinc/12/34/44/630123444.db2.gz WPUAFFFSWBOFCJ-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865449840 630128747 /nfs/dbraw/zinc/12/87/47/630128747.db2.gz GQWCCIQEBWFFPT-GFCCVEGCSA-N 2 1 299.821 3.084 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865449840 630128756 /nfs/dbraw/zinc/12/87/56/630128756.db2.gz GQWCCIQEBWFFPT-GFCCVEGCSA-N 2 1 299.821 3.084 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCSC(C)(C)C)CC1 ZINC000801916912 630365619 /nfs/dbraw/zinc/36/56/19/630365619.db2.gz JLHISCCZVKIIIR-UHFFFAOYSA-N 2 1 272.502 3.323 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccnc(Cl)c1)CC1CCCC1 ZINC000843385009 635656670 /nfs/dbraw/zinc/65/66/70/635656670.db2.gz ONUWAKDAMMPAJI-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP Clc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000843386452 635656975 /nfs/dbraw/zinc/65/69/75/635656975.db2.gz IGEYUWNUGLQDSO-VXGBXAGGSA-N 2 1 299.871 3.008 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000815601054 631804572 /nfs/dbraw/zinc/80/45/72/631804572.db2.gz MGYYEOSAZBZSNL-CYBMUJFWSA-N 2 1 262.372 3.047 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2c(c1)CCO2 ZINC000817943703 632242413 /nfs/dbraw/zinc/24/24/13/632242413.db2.gz RAVKGMMZQUKPPV-AWEZNQCLSA-N 2 1 288.435 3.324 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817957345 632252149 /nfs/dbraw/zinc/25/21/49/632252149.db2.gz BBPKKPCTAJPJND-QPUJVOFHSA-N 2 1 290.238 3.210 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1C ZINC000817957802 632253029 /nfs/dbraw/zinc/25/30/29/632253029.db2.gz FAAAEFGAAJFPBC-HUUCEWRRSA-N 2 1 278.440 3.336 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1Cl ZINC000817980638 632269991 /nfs/dbraw/zinc/26/99/91/632269991.db2.gz WEAIBTFTPGYXFN-VWYCJHECSA-N 2 1 270.804 3.043 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000817981241 632271140 /nfs/dbraw/zinc/27/11/40/632271140.db2.gz HVXNFIAJHROGMO-LRDDRELGSA-N 2 1 264.388 3.302 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000817981242 632271382 /nfs/dbraw/zinc/27/13/82/632271382.db2.gz HVXNFIAJHROGMO-MLGOLLRUSA-N 2 1 264.388 3.302 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000818335740 632308405 /nfs/dbraw/zinc/30/84/05/632308405.db2.gz ZWJDJHCTBLAJCZ-FRRDWIJNSA-N 2 1 291.266 3.034 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000818335739 632310277 /nfs/dbraw/zinc/31/02/77/632310277.db2.gz ZWJDJHCTBLAJCZ-AVGNSLFASA-N 2 1 291.266 3.034 20 0 CGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000820803326 632678625 /nfs/dbraw/zinc/67/86/25/632678625.db2.gz FBRHERMBBPFCCH-ZXFUBFMLSA-N 2 1 274.383 3.073 20 0 CGADMP Fc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000866229219 633036473 /nfs/dbraw/zinc/03/64/73/633036473.db2.gz ONBPDMFJWVYMHM-UGSOOPFHSA-N 2 1 288.410 3.277 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccn1 ZINC000866341814 633088388 /nfs/dbraw/zinc/08/83/88/633088388.db2.gz ZVJSJZDJMNHJRY-QGZVFWFLSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1)C[NH+](C)C ZINC000866364373 633102331 /nfs/dbraw/zinc/10/23/31/633102331.db2.gz NQNYZLSAEUIZLJ-QWRGUYRKSA-N 2 1 295.814 3.330 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866582423 633202698 /nfs/dbraw/zinc/20/26/98/633202698.db2.gz FMTGZRMOZANMQE-DJIMGWMZSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866582423 633202707 /nfs/dbraw/zinc/20/27/07/633202707.db2.gz FMTGZRMOZANMQE-DJIMGWMZSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866582423 633202717 /nfs/dbraw/zinc/20/27/17/633202717.db2.gz FMTGZRMOZANMQE-DJIMGWMZSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866582423 633202722 /nfs/dbraw/zinc/20/27/22/633202722.db2.gz FMTGZRMOZANMQE-DJIMGWMZSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706669 633234260 /nfs/dbraw/zinc/23/42/60/633234260.db2.gz BXNVTUJYIYICCA-IUODEOHRSA-N 2 1 276.415 3.365 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000866706582 633234750 /nfs/dbraw/zinc/23/47/50/633234750.db2.gz OWEYPNAVGVJNLS-LJQANCHMSA-N 2 1 297.446 3.432 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@H+]2CCCCCCC[NH3+])c1 ZINC000866721717 633236951 /nfs/dbraw/zinc/23/69/51/633236951.db2.gz XZUPEUPUEYRFMO-KRWDZBQOSA-N 2 1 275.440 3.436 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000880257064 635958615 /nfs/dbraw/zinc/95/86/15/635958615.db2.gz RRIPGTOIAISAPH-KRWDZBQOSA-N 2 1 294.483 3.286 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827969683 633542906 /nfs/dbraw/zinc/54/29/06/633542906.db2.gz UOOUGPQKZSNFGA-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827969683 633542909 /nfs/dbraw/zinc/54/29/09/633542909.db2.gz UOOUGPQKZSNFGA-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827969683 633542900 /nfs/dbraw/zinc/54/29/00/633542900.db2.gz UOOUGPQKZSNFGA-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827969683 633542903 /nfs/dbraw/zinc/54/29/03/633542903.db2.gz UOOUGPQKZSNFGA-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCOC1 ZINC000872017397 633937883 /nfs/dbraw/zinc/93/78/83/633937883.db2.gz AVNRHSWYCDTQPW-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](CC)[C@@H]1CCCOC1)[NH+](C)C ZINC000872021851 633942222 /nfs/dbraw/zinc/94/22/22/633942222.db2.gz SGLSGUQJNNTFEG-IKGGRYGDSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000872023607 633944314 /nfs/dbraw/zinc/94/43/14/633944314.db2.gz TVJKXIOEJVRCQW-MHORFTMASA-N 2 1 296.499 3.149 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000872023787 633944518 /nfs/dbraw/zinc/94/45/18/633944518.db2.gz VKMASNDSXHQVDQ-WCXIOVBPSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000872023787 633944524 /nfs/dbraw/zinc/94/45/24/633944524.db2.gz VKMASNDSXHQVDQ-WCXIOVBPSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000872023609 633944690 /nfs/dbraw/zinc/94/46/90/633944690.db2.gz TVJKXIOEJVRCQW-XDNAFOTISA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872026105 633945924 /nfs/dbraw/zinc/94/59/24/633945924.db2.gz AWVKIRYFDPTIEB-IKGGRYGDSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872026105 633945932 /nfs/dbraw/zinc/94/59/32/633945932.db2.gz AWVKIRYFDPTIEB-IKGGRYGDSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)CC ZINC000872036368 633955541 /nfs/dbraw/zinc/95/55/41/633955541.db2.gz UPCBVYKFQZYKPT-IRXDYDNUSA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872072661 633994630 /nfs/dbraw/zinc/99/46/30/633994630.db2.gz IEYHHSZIKSUVTP-XHSDSOJGSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872072661 633994635 /nfs/dbraw/zinc/99/46/35/633994635.db2.gz IEYHHSZIKSUVTP-XHSDSOJGSA-N 2 1 284.488 3.290 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(Nc3ccccc3)C2)CC1(C)C ZINC000872132587 634053561 /nfs/dbraw/zinc/05/35/61/634053561.db2.gz GRBVUXDDQVTJRE-GTPINHCMSA-N 2 1 287.451 3.092 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C(F)(F)F ZINC000872150253 634066253 /nfs/dbraw/zinc/06/62/53/634066253.db2.gz UZKDEPHHEOAEKP-GJZGRUSLSA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C(F)(F)F ZINC000872150253 634066261 /nfs/dbraw/zinc/06/62/61/634066261.db2.gz UZKDEPHHEOAEKP-GJZGRUSLSA-N 2 1 298.352 3.133 20 0 CGADMP COCCCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156103 634066772 /nfs/dbraw/zinc/06/67/72/634066772.db2.gz DVWSOAYUAFMZOA-NVXWUHKLSA-N 2 1 282.472 3.033 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279385 634098218 /nfs/dbraw/zinc/09/82/18/634098218.db2.gz DISONMWZSWAIKM-QGZVFWFLSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279385 634098224 /nfs/dbraw/zinc/09/82/24/634098224.db2.gz DISONMWZSWAIKM-QGZVFWFLSA-N 2 1 291.439 3.005 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873020179 634232071 /nfs/dbraw/zinc/23/20/71/634232071.db2.gz IJJGZSXRCDCAAU-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873029869 634234461 /nfs/dbraw/zinc/23/44/61/634234461.db2.gz UMCTWUZOYRUMEE-OAHLLOKOSA-N 2 1 283.419 3.055 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223425 634290598 /nfs/dbraw/zinc/29/05/98/634290598.db2.gz MTPJYLNUIVDCKA-INIZCTEOSA-N 2 1 295.496 3.463 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1c[nH]nc1-c1ccccc1 ZINC000873231929 634294389 /nfs/dbraw/zinc/29/43/89/634294389.db2.gz ZRYZGFMQJMUSJL-UHFFFAOYSA-N 2 1 286.423 3.028 20 0 CGADMP C[N@H+](CCC[NH2+]Cc1cccs1)Cc1ccccc1 ZINC000019913219 634375677 /nfs/dbraw/zinc/37/56/77/634375677.db2.gz JDJBTVLUJRKNQU-UHFFFAOYSA-N 2 1 274.433 3.360 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1cccs1)Cc1ccccc1 ZINC000019913219 634375684 /nfs/dbraw/zinc/37/56/84/634375684.db2.gz JDJBTVLUJRKNQU-UHFFFAOYSA-N 2 1 274.433 3.360 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877739045 635173497 /nfs/dbraw/zinc/17/34/97/635173497.db2.gz DULMJERLOIFFGV-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000877739045 635173502 /nfs/dbraw/zinc/17/35/02/635173502.db2.gz DULMJERLOIFFGV-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000877739045 635173508 /nfs/dbraw/zinc/17/35/08/635173508.db2.gz DULMJERLOIFFGV-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc2cccnc12 ZINC000877743750 635179501 /nfs/dbraw/zinc/17/95/01/635179501.db2.gz YDRGFTQJFUMCII-ROUUACIJSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc2cccnc12 ZINC000877743750 635179503 /nfs/dbraw/zinc/17/95/03/635179503.db2.gz YDRGFTQJFUMCII-ROUUACIJSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc2cccnc12 ZINC000877743750 635179506 /nfs/dbraw/zinc/17/95/06/635179506.db2.gz YDRGFTQJFUMCII-ROUUACIJSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc2cccnc12 ZINC000877743750 635179510 /nfs/dbraw/zinc/17/95/10/635179510.db2.gz YDRGFTQJFUMCII-ROUUACIJSA-N 2 1 295.430 3.069 20 0 CGADMP CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000842473254 635378497 /nfs/dbraw/zinc/37/84/97/635378497.db2.gz RZRMNVYEFXTRAI-ZACQAIPSSA-N 2 1 296.499 3.421 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000842473504 635378600 /nfs/dbraw/zinc/37/86/00/635378600.db2.gz WQCSJAPYZQFEKT-LSDHHAIUSA-N 2 1 270.486 3.256 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878148883 635379304 /nfs/dbraw/zinc/37/93/04/635379304.db2.gz RVGZFPZKJIDCEL-GJZGRUSLSA-N 2 1 288.426 3.476 20 0 CGADMP CN(C)c1cccc(C[N@@H+](C)CCCCCCC[NH3+])c1 ZINC000842476723 635379711 /nfs/dbraw/zinc/37/97/11/635379711.db2.gz TYBRFHLRMJMGFR-UHFFFAOYSA-N 2 1 277.456 3.094 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000878163571 635387433 /nfs/dbraw/zinc/38/74/33/635387433.db2.gz USJGKFWVNYPOSI-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCC2(F)F)CC[N@H+]1C ZINC000878163571 635387439 /nfs/dbraw/zinc/38/74/39/635387439.db2.gz USJGKFWVNYPOSI-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCCC2(F)F)CC[NH+]1C ZINC000878163571 635387447 /nfs/dbraw/zinc/38/74/47/635387447.db2.gz USJGKFWVNYPOSI-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)CC[NH+]1C ZINC000878163571 635387454 /nfs/dbraw/zinc/38/74/54/635387454.db2.gz USJGKFWVNYPOSI-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCSC(C)(C)C)CC[C@H]21 ZINC000878196568 635407248 /nfs/dbraw/zinc/40/72/48/635407248.db2.gz GETMKACLXYTBAU-LSDHHAIUSA-N 2 1 284.513 3.324 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCSC(C)(C)C)CC[C@H]21 ZINC000878196568 635407254 /nfs/dbraw/zinc/40/72/54/635407254.db2.gz GETMKACLXYTBAU-LSDHHAIUSA-N 2 1 284.513 3.324 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCSC(C)(C)C)CC[C@H]21 ZINC000878196568 635407262 /nfs/dbraw/zinc/40/72/62/635407262.db2.gz GETMKACLXYTBAU-LSDHHAIUSA-N 2 1 284.513 3.324 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C\c1ccc(F)cc1 ZINC000843054258 635551871 /nfs/dbraw/zinc/55/18/71/635551871.db2.gz TUHROKNHVFLOQL-LYAIRVAZSA-N 2 1 274.383 3.183 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000843056941 635553508 /nfs/dbraw/zinc/55/35/08/635553508.db2.gz CVXJYNXBZTZTFU-CMPLNLGQSA-N 2 1 286.391 3.170 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355560 635652524 /nfs/dbraw/zinc/65/25/24/635652524.db2.gz VSSIXRRIQCTRNG-UHFFFAOYSA-N 2 1 264.438 3.110 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880258781 635959177 /nfs/dbraw/zinc/95/91/77/635959177.db2.gz JLXOLGNAZLJGLG-KBPBESRZSA-N 2 1 295.377 3.028 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCSC1 ZINC000131149602 636563835 /nfs/dbraw/zinc/56/38/35/636563835.db2.gz FLRYCCXEZWJMER-HUUCEWRRSA-N 2 1 270.486 3.126 20 0 CGADMP C1=C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000883237858 636608002 /nfs/dbraw/zinc/60/80/02/636608002.db2.gz LZDQYOHTSOVPML-SFHVURJKSA-N 2 1 284.447 3.249 20 0 CGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)cc1 ZINC000848996534 636709193 /nfs/dbraw/zinc/70/91/93/636709193.db2.gz CMCGUUSESYJZEM-OLZOCXBDSA-N 2 1 276.428 3.086 20 0 CGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041866 636728535 /nfs/dbraw/zinc/72/85/35/636728535.db2.gz YORXDIGZHFPEDC-CVEARBPZSA-N 2 1 296.503 3.047 20 0 CGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCC2([NH+](C)C)CC2)cc1 ZINC000849043844 636729525 /nfs/dbraw/zinc/72/95/25/636729525.db2.gz WVPBIJKCEADVSY-ZDUSSCGKSA-N 2 1 288.439 3.231 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883416000 636749212 /nfs/dbraw/zinc/74/92/12/636749212.db2.gz JJJSOGIADSZJDW-DKIMLUQUSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883416000 636749219 /nfs/dbraw/zinc/74/92/19/636749219.db2.gz JJJSOGIADSZJDW-DKIMLUQUSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)[C@@H]1CCC[NH3+] ZINC000883436164 636755079 /nfs/dbraw/zinc/75/50/79/636755079.db2.gz MCJUZDJXRFFOIS-OWCLPIDISA-N 2 1 296.499 3.420 20 0 CGADMP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000850522857 637101301 /nfs/dbraw/zinc/10/13/01/637101301.db2.gz OEJCQEVKWBJBIY-AYHJJNSGSA-N 2 1 272.436 3.061 20 0 CGADMP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(F)F ZINC000886651458 637631332 /nfs/dbraw/zinc/63/13/32/637631332.db2.gz GIMWHNTULGUXSG-LKSINWNRSA-N 2 1 260.372 3.027 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3ccncc3C)CC2)[nH+]c1C ZINC000886659888 637637954 /nfs/dbraw/zinc/63/79/54/637637954.db2.gz XXWHRBDFKXTATL-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](CCOC2CCCCC2)CC1 ZINC000886719775 637671652 /nfs/dbraw/zinc/67/16/52/637671652.db2.gz HGUXGCMXHRHUFO-UHFFFAOYSA-N 2 1 294.483 3.286 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCSc1ccc(F)cc1 ZINC000852746856 637704970 /nfs/dbraw/zinc/70/49/70/637704970.db2.gz RYRSULVDAJKQLL-GOOCMWNKSA-N 2 1 294.439 3.262 20 0 CGADMP FC1(F)CCC[C@H]1CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876211 637715909 /nfs/dbraw/zinc/71/59/09/637715909.db2.gz XMYXDPYFHKLQNK-GJZGRUSLSA-N 2 1 286.410 3.278 20 0 CGADMP CCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(C)o1 ZINC000886882374 637716571 /nfs/dbraw/zinc/71/65/71/637716571.db2.gz PBDFKYMXIURCLG-GJZGRUSLSA-N 2 1 264.413 3.361 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150144 637764465 /nfs/dbraw/zinc/76/44/65/637764465.db2.gz YRRFVNYSODQDLW-UHFFFAOYSA-N 2 1 297.402 3.009 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150144 637764469 /nfs/dbraw/zinc/76/44/69/637764469.db2.gz YRRFVNYSODQDLW-UHFFFAOYSA-N 2 1 297.402 3.009 20 0 CGADMP CCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924534418 638353724 /nfs/dbraw/zinc/35/37/24/638353724.db2.gz GBOGOMSSVHZJTH-XYTVBORESA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[NH+]1CCCC1 ZINC000924633125 638380128 /nfs/dbraw/zinc/38/01/28/638380128.db2.gz USCUIHIVKQIWEP-PQUAAJSLSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924765278 638401336 /nfs/dbraw/zinc/40/13/36/638401336.db2.gz KRCZJUCQTLFZSX-MGLUKCQKSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924765278 638401341 /nfs/dbraw/zinc/40/13/41/638401341.db2.gz KRCZJUCQTLFZSX-MGLUKCQKSA-N 2 1 282.497 3.123 20 0 CGADMP CC[N@@H+](CCN[C@H](C)c1cccc(C[NH+](C)C)c1)C(C)C ZINC000924910936 638424362 /nfs/dbraw/zinc/42/43/62/638424362.db2.gz XAGLKYZDMYVGJO-MRXNPFEDSA-N 2 1 291.483 3.129 20 0 CGADMP CCN(CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C(C)C ZINC000924910936 638424363 /nfs/dbraw/zinc/42/43/63/638424363.db2.gz XAGLKYZDMYVGJO-MRXNPFEDSA-N 2 1 291.483 3.129 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925022566 638438247 /nfs/dbraw/zinc/43/82/47/638438247.db2.gz HKCHAEDTWPOUPP-GVDBMIGSSA-N 2 1 296.499 3.028 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925501923 638513415 /nfs/dbraw/zinc/51/34/15/638513415.db2.gz DVJWCJFDPNAWKH-BVUBDWEXSA-N 2 1 278.465 3.339 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Sc1ccccc1 ZINC000925523731 638519151 /nfs/dbraw/zinc/51/91/51/638519151.db2.gz NZGFETJQZDKQAB-ZFWWWQNUSA-N 2 1 276.449 3.041 20 0 CGADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)C1 ZINC000925559969 638529140 /nfs/dbraw/zinc/52/91/40/638529140.db2.gz VRGYZDCWYQCXGP-GJZGRUSLSA-N 2 1 299.418 3.337 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccccc1 ZINC000925617188 638546001 /nfs/dbraw/zinc/54/60/01/638546001.db2.gz BLJFSCHANGNDQW-WUTPFUBCSA-N 2 1 292.426 3.250 20 0 CGADMP Cc1cccc(CCC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])n1 ZINC000925663990 638562716 /nfs/dbraw/zinc/56/27/16/638562716.db2.gz BKOXWHCHYUGNEB-MAUKXSAKSA-N 2 1 283.419 3.001 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCC(C)(F)F)c1ccccc1 ZINC000925677796 638567189 /nfs/dbraw/zinc/56/71/89/638567189.db2.gz AXDDYQKSUATAIR-WCQYABFASA-N 2 1 256.340 3.100 20 0 CGADMP CSCC1(CC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925705048 638573631 /nfs/dbraw/zinc/57/36/31/638573631.db2.gz IXAFCIXOFDHTSN-DZGCQCFKSA-N 2 1 278.465 3.198 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC1CCC(F)CC1)c1ccccc1 ZINC000925714578 638577466 /nfs/dbraw/zinc/57/74/66/638577466.db2.gz ZWVYSAJQTKXLTM-QTISTPMNSA-N 2 1 264.388 3.193 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000857853540 638578741 /nfs/dbraw/zinc/57/87/41/638578741.db2.gz STIOBAWTDINFAG-QGZVFWFLSA-N 2 1 298.434 3.029 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000857853540 638578756 /nfs/dbraw/zinc/57/87/56/638578756.db2.gz STIOBAWTDINFAG-QGZVFWFLSA-N 2 1 298.434 3.029 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000857853540 638578773 /nfs/dbraw/zinc/57/87/73/638578773.db2.gz STIOBAWTDINFAG-QGZVFWFLSA-N 2 1 298.434 3.029 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1 ZINC000925734997 638587881 /nfs/dbraw/zinc/58/78/81/638587881.db2.gz WVSCDUSCAJVDPT-WCQYABFASA-N 2 1 268.351 3.100 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925800997 638615986 /nfs/dbraw/zinc/61/59/86/638615986.db2.gz HXNYONBJHXHPHF-SMMMKCNCSA-N 2 1 290.476 3.339 20 0 CGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(F)ccc1F ZINC000925844582 638631064 /nfs/dbraw/zinc/63/10/64/638631064.db2.gz YBPRJVJZLSKRFM-IUIKQTSFSA-N 2 1 280.362 3.148 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)CC1(C)C ZINC000858172995 638649890 /nfs/dbraw/zinc/64/98/90/638649890.db2.gz NMBDADBLHGSRNQ-JQWIXIFHSA-N 2 1 279.255 3.033 20 0 CGADMP CC(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000858245080 638662344 /nfs/dbraw/zinc/66/23/44/638662344.db2.gz BZVCZTTWWAGBSY-CYBMUJFWSA-N 2 1 281.469 3.088 20 0 CGADMP CC(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000858245080 638662349 /nfs/dbraw/zinc/66/23/49/638662349.db2.gz BZVCZTTWWAGBSY-CYBMUJFWSA-N 2 1 281.469 3.088 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000858490615 638741084 /nfs/dbraw/zinc/74/10/84/638741084.db2.gz KXHIQIGDOJMWIJ-GJZGRUSLSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)nc1 ZINC000858490486 638741480 /nfs/dbraw/zinc/74/14/80/638741480.db2.gz ILMXOODDQOLALN-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)nc1 ZINC000858490486 638741481 /nfs/dbraw/zinc/74/14/81/638741481.db2.gz ILMXOODDQOLALN-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000926348787 638765141 /nfs/dbraw/zinc/76/51/41/638765141.db2.gz GTOLHCVOLLUDNY-INMHGKMJSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000926348787 638765142 /nfs/dbraw/zinc/76/51/42/638765142.db2.gz GTOLHCVOLLUDNY-INMHGKMJSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926455563 638773186 /nfs/dbraw/zinc/77/31/86/638773186.db2.gz HRHISRZDEHHMKF-ULQDDVLXSA-N 2 1 284.488 3.028 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926455563 638773188 /nfs/dbraw/zinc/77/31/88/638773188.db2.gz HRHISRZDEHHMKF-ULQDDVLXSA-N 2 1 284.488 3.028 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C(C)(C)C ZINC000926516699 638780413 /nfs/dbraw/zinc/78/04/13/638780413.db2.gz YOMMMWZUOZKSMC-HMQMGEFJSA-N 2 1 296.499 3.433 20 0 CGADMP C[C@H]1CC[C@H](C)C1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926635543 638792804 /nfs/dbraw/zinc/79/28/04/638792804.db2.gz OMUZDIVFHNCEER-ONIAQPFYSA-N 2 1 286.463 3.356 20 0 CGADMP C([NH2+]C1CC2(C1)CCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926739777 638805659 /nfs/dbraw/zinc/80/56/59/638805659.db2.gz YYEPNDGYWBRSMR-MRXNPFEDSA-N 2 1 276.468 3.421 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926755200 638807288 /nfs/dbraw/zinc/80/72/88/638807288.db2.gz VFBNKWVOXAUBNR-UKRRQHHQSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929469732 638926845 /nfs/dbraw/zinc/92/68/45/638926845.db2.gz FBRGBHIHAISSLN-QGZVFWFLSA-N 2 1 294.483 3.283 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780143 638950325 /nfs/dbraw/zinc/95/03/25/638950325.db2.gz LCGXGIKBCCPBTB-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780143 638950326 /nfs/dbraw/zinc/95/03/26/638950326.db2.gz LCGXGIKBCCPBTB-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780143 638950328 /nfs/dbraw/zinc/95/03/28/638950328.db2.gz LCGXGIKBCCPBTB-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1CF)C2 ZINC000930601910 639035903 /nfs/dbraw/zinc/03/59/03/639035903.db2.gz LQUPIJFKIUEZBU-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1CF)C2 ZINC000930601910 639035907 /nfs/dbraw/zinc/03/59/07/639035907.db2.gz LQUPIJFKIUEZBU-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1CF)C2 ZINC000930601910 639035910 /nfs/dbraw/zinc/03/59/10/639035910.db2.gz LQUPIJFKIUEZBU-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1CF)C2 ZINC000930601910 639035912 /nfs/dbraw/zinc/03/59/12/639035912.db2.gz LQUPIJFKIUEZBU-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP CC[N@@H+](C/C=C(/C)COC)Cc1ccc(C[NH+](C)C)cc1 ZINC000931271992 639129904 /nfs/dbraw/zinc/12/99/04/639129904.db2.gz OOUAAFYDLSAXBF-WJDWOHSUSA-N 2 1 290.451 3.163 20 0 CGADMP CCSc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442496 639149951 /nfs/dbraw/zinc/14/99/51/639149951.db2.gz IUPIRZTZCZDWEM-GOEBONIOSA-N 2 1 290.476 3.182 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1C ZINC000933486136 639454117 /nfs/dbraw/zinc/45/41/17/639454117.db2.gz VLMXNVLJSODERB-CQSZACIVSA-N 2 1 287.407 3.249 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)F)c1)C1CCC([NH3+])CC1 ZINC000156100995 639963924 /nfs/dbraw/zinc/96/39/24/639963924.db2.gz VSWJIUAWXBZIBB-UHFFFAOYSA-N 2 1 268.351 3.326 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCO3)C1 ZINC000247130881 640711208 /nfs/dbraw/zinc/71/12/08/640711208.db2.gz RSJLHBKNKLRQMU-CABCVRRESA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415134413 640859077 /nfs/dbraw/zinc/85/90/77/640859077.db2.gz DTXPSPFBGQZPJS-FUHWJXTLSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415134413 640859082 /nfs/dbraw/zinc/85/90/82/640859082.db2.gz DTXPSPFBGQZPJS-FUHWJXTLSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(OCCCCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415137794 640859332 /nfs/dbraw/zinc/85/93/32/640859332.db2.gz JILXFZBEQMHLNC-GOSISDBHSA-N 2 1 288.435 3.064 20 0 CGADMP c1ccc(OCCCCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415137794 640859336 /nfs/dbraw/zinc/85/93/36/640859336.db2.gz JILXFZBEQMHLNC-GOSISDBHSA-N 2 1 288.435 3.064 20 0 CGADMP COc1ccc2cc[nH+]c(NCC[C@H]3CCC[N@H+](C)C3)c2c1 ZINC001156389101 805683446 /nfs/dbraw/zinc/68/34/46/805683446.db2.gz MZFHUISVRFDUSK-CQSZACIVSA-N 2 1 299.418 3.387 20 0 CGADMP COc1ccc2cc[nH+]c(NCC[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC001156389101 805683449 /nfs/dbraw/zinc/68/34/49/805683449.db2.gz MZFHUISVRFDUSK-CQSZACIVSA-N 2 1 299.418 3.387 20 0 CGADMP COc1cc(NCC23CC[NH+](CC2)CC3)[nH+]c2ccccc21 ZINC001158829115 806010139 /nfs/dbraw/zinc/01/01/39/806010139.db2.gz YJRHUSOGECCSGV-UHFFFAOYSA-N 2 1 297.402 3.141 20 0 CGADMP Cc1cc[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001159392045 806095591 /nfs/dbraw/zinc/09/55/91/806095591.db2.gz WPDHGOKNUVKPGQ-UHFFFAOYSA-N 2 1 261.413 3.453 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC(F)(F)CC1 ZINC001254225933 806373058 /nfs/dbraw/zinc/37/30/58/806373058.db2.gz NDSHSQAEVYRGGC-UHFFFAOYSA-N 2 1 262.388 3.228 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001254497022 806418621 /nfs/dbraw/zinc/41/86/21/806418621.db2.gz DSVKZRUQMQAYGK-LBPRGKRZSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001254497022 806418625 /nfs/dbraw/zinc/41/86/25/806418625.db2.gz DSVKZRUQMQAYGK-LBPRGKRZSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)CC1 ZINC001254500545 806420617 /nfs/dbraw/zinc/42/06/17/806420617.db2.gz JUMFZOXKXMHGHH-MRXNPFEDSA-N 2 1 258.409 3.138 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@H+](C)CC2)c(C)c1 ZINC001254500975 806420648 /nfs/dbraw/zinc/42/06/48/806420648.db2.gz NICWLJATYVMYPS-INIZCTEOSA-N 2 1 260.425 3.186 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC001254499325 806421368 /nfs/dbraw/zinc/42/13/68/806421368.db2.gz CRSSRXYKLXWQJB-AWEZNQCLSA-N 2 1 268.351 3.198 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCCCc2ccccc2)CC1 ZINC001254510770 806429951 /nfs/dbraw/zinc/42/99/51/806429951.db2.gz XWQIUANBSCJKIK-QGZVFWFLSA-N 2 1 260.425 3.083 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+]C(C)(C)c2ccccc2F)CC1 ZINC001254510743 806431328 /nfs/dbraw/zinc/43/13/28/806431328.db2.gz XTCLCBIIZLNERK-ZDUSSCGKSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)c2ccccc2F)CC1 ZINC001254510743 806431333 /nfs/dbraw/zinc/43/13/33/806431333.db2.gz XTCLCBIIZLNERK-ZDUSSCGKSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001254512217 806432420 /nfs/dbraw/zinc/43/24/20/806432420.db2.gz KVUXBAKDAWVQSO-UKRRQHHQSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001254512217 806432423 /nfs/dbraw/zinc/43/24/23/806432423.db2.gz KVUXBAKDAWVQSO-UKRRQHHQSA-N 2 1 293.842 3.260 20 0 CGADMP CCCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001257414169 807143758 /nfs/dbraw/zinc/14/37/58/807143758.db2.gz LQWMFDISQMKVCS-IAGOWNOFSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001257414169 807143760 /nfs/dbraw/zinc/14/37/60/807143760.db2.gz LQWMFDISQMKVCS-IAGOWNOFSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC[NH+](C)CC1 ZINC001254523625 806439789 /nfs/dbraw/zinc/43/97/89/806439789.db2.gz QHMMSBWTCFWOAT-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254523625 806439792 /nfs/dbraw/zinc/43/97/92/806439792.db2.gz QHMMSBWTCFWOAT-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254523625 806439794 /nfs/dbraw/zinc/43/97/94/806439794.db2.gz QHMMSBWTCFWOAT-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254523613 806439944 /nfs/dbraw/zinc/43/99/44/806439944.db2.gz QETKAXWQIQMZTE-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254523613 806439949 /nfs/dbraw/zinc/43/99/49/806439949.db2.gz QETKAXWQIQMZTE-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254523613 806439956 /nfs/dbraw/zinc/43/99/56/806439956.db2.gz QETKAXWQIQMZTE-RBUKOAKNSA-N 2 1 286.463 3.425 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001254528039 806442971 /nfs/dbraw/zinc/44/29/71/806442971.db2.gz BUKJSTHWEFJAAQ-HUUCEWRRSA-N 2 1 268.420 3.075 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001254528039 806442976 /nfs/dbraw/zinc/44/29/76/806442976.db2.gz BUKJSTHWEFJAAQ-HUUCEWRRSA-N 2 1 268.420 3.075 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001254526135 806443708 /nfs/dbraw/zinc/44/37/08/806443708.db2.gz OJZKJGHRCYDGOY-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001254526135 806443715 /nfs/dbraw/zinc/44/37/15/806443715.db2.gz OJZKJGHRCYDGOY-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001254526135 806443720 /nfs/dbraw/zinc/44/37/20/806443720.db2.gz OJZKJGHRCYDGOY-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP CCCC[C@@H](CC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001257425730 807149757 /nfs/dbraw/zinc/14/97/57/807149757.db2.gz XUOJGRVWONHEBU-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)[N@@H+](C1Cc2ccccc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255016651 806526862 /nfs/dbraw/zinc/52/68/62/806526862.db2.gz UEJSWSJJGUZAHS-QAQDUYKDSA-N 2 1 272.436 3.134 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCCC2)C3)cc1 ZINC001255137646 806551867 /nfs/dbraw/zinc/55/18/67/806551867.db2.gz VKQIXQAIYXYDHO-BCDXTJNWSA-N 2 1 270.420 3.278 20 0 CGADMP CC(C)c1cccc(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]1 ZINC001162457785 806588629 /nfs/dbraw/zinc/58/86/29/806588629.db2.gz RGNPFWKFLKJCDQ-UONOGXRCSA-N 2 1 261.413 3.253 20 0 CGADMP CCCCc1nc(NC[C@H]2CCC[NH2+]C[C@H]2C)cc(C)[nH+]1 ZINC001162462223 806589781 /nfs/dbraw/zinc/58/97/81/806589781.db2.gz UHYWHOULLLAABR-UKRRQHHQSA-N 2 1 290.455 3.175 20 0 CGADMP CC1CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255376236 806628981 /nfs/dbraw/zinc/62/89/81/806628981.db2.gz AMDPHSXAFNQTDE-IIIMJFFVSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]([NH3+])c1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382900 806629768 /nfs/dbraw/zinc/62/97/68/806629768.db2.gz YKSHLDYDMYKTCM-NVXWUHKLSA-N 2 1 298.434 3.130 20 0 CGADMP C1=CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255383884 806630972 /nfs/dbraw/zinc/63/09/72/806630972.db2.gz PECILMVHQKRGFT-GOSISDBHSA-N 2 1 270.420 3.349 20 0 CGADMP FC1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397410 806633593 /nfs/dbraw/zinc/63/35/93/806633593.db2.gz GLADCKDMDUBHIY-GOSISDBHSA-N 2 1 290.426 3.475 20 0 CGADMP Cc1ncc2n1CC[N@@H+](C1CCC(C(F)(F)F)CC1)C2 ZINC001255514868 806659007 /nfs/dbraw/zinc/65/90/07/806659007.db2.gz VWWBKAFHOMCUNN-UHFFFAOYSA-N 2 1 287.329 3.128 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CCO1 ZINC001255532818 806666291 /nfs/dbraw/zinc/66/62/91/806666291.db2.gz KKSTVCDAQJZOCQ-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CCO1 ZINC001255532818 806666294 /nfs/dbraw/zinc/66/62/94/806666294.db2.gz KKSTVCDAQJZOCQ-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H](C)CC(F)(F)F)CC1 ZINC001255658553 806697413 /nfs/dbraw/zinc/69/74/13/806697413.db2.gz SDRVRAOGSZFELQ-GFCCVEGCSA-N 2 1 280.378 3.380 20 0 CGADMP CCC[N@H+]1CC[C@@H](CNCc2cnc(C(C)(C)C)s2)C1 ZINC000067975709 798910708 /nfs/dbraw/zinc/91/07/08/798910708.db2.gz FBXAYNHFXWOPKE-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000067975709 798910715 /nfs/dbraw/zinc/91/07/15/798910715.db2.gz FBXAYNHFXWOPKE-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000067975709 798910722 /nfs/dbraw/zinc/91/07/22/798910722.db2.gz FBXAYNHFXWOPKE-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255667634 806700011 /nfs/dbraw/zinc/70/00/11/806700011.db2.gz NOCAQMTVSLWGCZ-PHSGOXPASA-N 2 1 299.462 3.446 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000086890111 798946033 /nfs/dbraw/zinc/94/60/33/798946033.db2.gz CJYYRPVLIMWLLV-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000086890111 798946035 /nfs/dbraw/zinc/94/60/35/798946035.db2.gz CJYYRPVLIMWLLV-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[N@H+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680228 806704070 /nfs/dbraw/zinc/70/40/70/806704070.db2.gz KHEXGUSRGKDSLT-XYPWUTKMSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[N@@H+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680228 806704074 /nfs/dbraw/zinc/70/40/74/806704074.db2.gz KHEXGUSRGKDSLT-XYPWUTKMSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[NH+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680228 806704076 /nfs/dbraw/zinc/70/40/76/806704076.db2.gz KHEXGUSRGKDSLT-XYPWUTKMSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[NH+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680228 806704079 /nfs/dbraw/zinc/70/40/79/806704079.db2.gz KHEXGUSRGKDSLT-XYPWUTKMSA-N 2 1 250.430 3.122 20 0 CGADMP C[N@H+](Cc1nc2ccccc2o1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681097 806704311 /nfs/dbraw/zinc/70/43/11/806704311.db2.gz LSRDQWVFIJJJKN-YIONKMFJSA-N 2 1 299.418 3.275 20 0 CGADMP C[N@@H+](Cc1nc2ccccc2o1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681097 806704315 /nfs/dbraw/zinc/70/43/15/806704315.db2.gz LSRDQWVFIJJJKN-YIONKMFJSA-N 2 1 299.418 3.275 20 0 CGADMP C[NH+](Cc1nc2ccccc2o1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681097 806704321 /nfs/dbraw/zinc/70/43/21/806704321.db2.gz LSRDQWVFIJJJKN-YIONKMFJSA-N 2 1 299.418 3.275 20 0 CGADMP C[NH+](Cc1nc2ccccc2o1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681097 806704327 /nfs/dbraw/zinc/70/43/27/806704327.db2.gz LSRDQWVFIJJJKN-YIONKMFJSA-N 2 1 299.418 3.275 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255690346 806706655 /nfs/dbraw/zinc/70/66/55/806706655.db2.gz UPFJAJQVQBPJNT-VXGBXAGGSA-N 2 1 266.351 3.167 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001255727635 806723065 /nfs/dbraw/zinc/72/30/65/806723065.db2.gz GTQPODSJXNXWGF-ZFWWWQNUSA-N 2 1 296.455 3.380 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000300517430 799205067 /nfs/dbraw/zinc/20/50/67/799205067.db2.gz KKJOODYOWZSVCQ-BXUZGUMPSA-N 2 1 266.816 3.065 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339084284 799280016 /nfs/dbraw/zinc/28/00/16/799280016.db2.gz JRRCYUXQHMIRIM-UGUYLWEFSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CSc1ccc(C)cc1 ZINC001255750759 806735426 /nfs/dbraw/zinc/73/54/26/806735426.db2.gz XTGRUHIHHVDLOH-CQSZACIVSA-N 2 1 289.448 3.354 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000381237563 799374884 /nfs/dbraw/zinc/37/48/84/799374884.db2.gz RFBKZYIJDZRWNL-ZDUSSCGKSA-N 2 1 272.314 3.019 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000381237563 799374888 /nfs/dbraw/zinc/37/48/88/799374888.db2.gz RFBKZYIJDZRWNL-ZDUSSCGKSA-N 2 1 272.314 3.019 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000381316928 799376838 /nfs/dbraw/zinc/37/68/38/799376838.db2.gz FECXZQVSMWMOGS-GRAKBVBRSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000381316928 799376847 /nfs/dbraw/zinc/37/68/47/799376847.db2.gz FECXZQVSMWMOGS-GRAKBVBRSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255775323 806746043 /nfs/dbraw/zinc/74/60/43/806746043.db2.gz VCQHOAUVONHFOB-OWLYRPNTSA-N 2 1 272.436 3.141 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000386560440 799437846 /nfs/dbraw/zinc/43/78/46/799437846.db2.gz VIOMQLRPKSGZDW-IMJJTQAJSA-N 2 1 252.446 3.116 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC001163362717 806747702 /nfs/dbraw/zinc/74/77/02/806747702.db2.gz NGUMYCSMNUSJMP-LSDHHAIUSA-N 2 1 261.413 3.229 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC001163362717 806747705 /nfs/dbraw/zinc/74/77/05/806747705.db2.gz NGUMYCSMNUSJMP-LSDHHAIUSA-N 2 1 261.413 3.229 20 0 CGADMP CCOc1cc[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001163365219 806749738 /nfs/dbraw/zinc/74/97/38/806749738.db2.gz YOJIAFJLQNLVBO-HIFRSBDPSA-N 2 1 277.412 3.011 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000392290755 799480356 /nfs/dbraw/zinc/48/03/56/799480356.db2.gz KKPOYZMTGCVHKG-YESZJQIVSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)cc1C ZINC001163369891 806750918 /nfs/dbraw/zinc/75/09/18/806750918.db2.gz IGJALBHZMAWMBY-HUUCEWRRSA-N 2 1 261.413 3.229 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000393881773 799492362 /nfs/dbraw/zinc/49/23/62/799492362.db2.gz MSHFREABQYDHID-ZDUSSCGKSA-N 2 1 297.240 3.010 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000393881773 799492366 /nfs/dbraw/zinc/49/23/66/799492366.db2.gz MSHFREABQYDHID-ZDUSSCGKSA-N 2 1 297.240 3.010 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403312334 799565329 /nfs/dbraw/zinc/56/53/29/799565329.db2.gz YZCNRTMIPLXOIH-STQMWFEESA-N 2 1 262.388 3.119 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)[C@@H]1CC[NH3+] ZINC000404451769 799577248 /nfs/dbraw/zinc/57/72/48/799577248.db2.gz ZDHJZUBYNKOJOM-GRYCIOLGSA-N 2 1 279.255 3.020 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000469991893 799646674 /nfs/dbraw/zinc/64/66/74/799646674.db2.gz LAJIFOHJWYMRAG-RDJZCZTQSA-N 2 1 288.479 3.443 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccccc1F ZINC001255857824 806771866 /nfs/dbraw/zinc/77/18/66/806771866.db2.gz SSCHWBRDSGDGQG-OAHLLOKOSA-N 2 1 280.431 3.420 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC000695698380 799832865 /nfs/dbraw/zinc/83/28/65/799832865.db2.gz DZKFLLCQPKLFKP-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC2(C1)CCCCC2 ZINC000697087381 799842675 /nfs/dbraw/zinc/84/26/75/799842675.db2.gz IDDIGRZWXLOJCM-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP Cc1csc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000701910911 799897656 /nfs/dbraw/zinc/89/76/56/799897656.db2.gz OUQUUUVJTPFKIC-FUDCBSFHSA-N 2 1 279.453 3.117 20 0 CGADMP Cc1csc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000701910911 799897664 /nfs/dbraw/zinc/89/76/64/799897664.db2.gz OUQUUUVJTPFKIC-FUDCBSFHSA-N 2 1 279.453 3.117 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000708235432 799983920 /nfs/dbraw/zinc/98/39/20/799983920.db2.gz GBRKOWWPKWFPRS-KBPBESRZSA-N 2 1 274.399 3.261 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000708235432 799983923 /nfs/dbraw/zinc/98/39/23/799983923.db2.gz GBRKOWWPKWFPRS-KBPBESRZSA-N 2 1 274.399 3.261 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001255948624 806793782 /nfs/dbraw/zinc/79/37/82/806793782.db2.gz OWQVJVFOINNBFX-OAHLLOKOSA-N 3 1 297.531 3.348 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC(C)(C)C1 ZINC000708844880 799996137 /nfs/dbraw/zinc/99/61/37/799996137.db2.gz OSJKIPMXQHZNPH-YHUYYLMFSA-N 2 1 264.457 3.418 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ccccn1)C(C)C ZINC001255947926 806794180 /nfs/dbraw/zinc/79/41/80/806794180.db2.gz YZEKUJJFWZJHOT-WBVHZDCISA-N 2 1 277.456 3.489 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]12C[C@@H]1CCCC2 ZINC000709126731 800004691 /nfs/dbraw/zinc/00/46/91/800004691.db2.gz JBNITBIVNSPDQF-FIDHJVLJSA-N 2 1 262.441 3.172 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951803 806795488 /nfs/dbraw/zinc/79/54/88/806795488.db2.gz BBBMJSYNHNUAMI-KBAYOESNSA-N 3 1 295.515 3.089 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCc2cc(C)ncc21 ZINC001255954159 806796895 /nfs/dbraw/zinc/79/68/95/806796895.db2.gz SWCCZFAPIKILDI-DYVFJYSZSA-N 2 1 275.440 3.087 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC001255953897 806797179 /nfs/dbraw/zinc/79/71/79/806797179.db2.gz QNKDUQUQNHBEJG-HNNXBMFYSA-N 2 1 290.451 3.394 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCCCC[NH3+] ZINC000710828184 800040860 /nfs/dbraw/zinc/04/08/60/800040860.db2.gz HAFWQMQHFXMPHG-LBPRGKRZSA-N 2 1 270.367 3.477 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2c(C)cccc2C1 ZINC001255956949 806798392 /nfs/dbraw/zinc/79/83/92/806798392.db2.gz NLMCRMLQKRUNJE-INIZCTEOSA-N 2 1 274.452 3.474 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2c(C)cccc2C1 ZINC001255956949 806798397 /nfs/dbraw/zinc/79/83/97/806798397.db2.gz NLMCRMLQKRUNJE-INIZCTEOSA-N 2 1 274.452 3.474 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC001255954508 806798619 /nfs/dbraw/zinc/79/86/19/806798619.db2.gz WVMOFPGBVPWFJW-ZIAGYGMSSA-N 2 1 292.423 3.186 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCc1cccs1 ZINC001255964216 806801224 /nfs/dbraw/zinc/80/12/24/806801224.db2.gz PYAXSROVSQTXCL-CQSZACIVSA-N 2 1 268.470 3.343 20 0 CGADMP C[C@@H]1c2sccc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000712348633 800084100 /nfs/dbraw/zinc/08/41/00/800084100.db2.gz LYSUKOBNERBZPI-CHWSQXEVSA-N 2 1 264.438 3.057 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001255968727 806802161 /nfs/dbraw/zinc/80/21/61/806802161.db2.gz GLIVTXLBFXKMMB-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001255968727 806802168 /nfs/dbraw/zinc/80/21/68/806802168.db2.gz GLIVTXLBFXKMMB-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CC2CCC(CC2)C1 ZINC001255967997 806802869 /nfs/dbraw/zinc/80/28/69/806802869.db2.gz VAKOZAYPLLVJNA-QQFBHYJXSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2scnc2Cl)[C@@H]1CCC[NH3+] ZINC000713501440 800111909 /nfs/dbraw/zinc/11/19/09/800111909.db2.gz RRGZGTLMIXQQLY-GHMZBOCLSA-N 2 1 287.860 3.136 20 0 CGADMP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1C1CCCCCCC1 ZINC000721514399 800290948 /nfs/dbraw/zinc/29/09/48/800290948.db2.gz JGWJZLMQYUKGID-GOSISDBHSA-N 2 1 272.436 3.485 20 0 CGADMP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1C1CCCCCCC1 ZINC000721514399 800290951 /nfs/dbraw/zinc/29/09/51/800290951.db2.gz JGWJZLMQYUKGID-GOSISDBHSA-N 2 1 272.436 3.485 20 0 CGADMP C[C@H](C[NH+](C)C)Nc1cc(OCc2ccccc2)cc[nH+]1 ZINC001163771871 806822611 /nfs/dbraw/zinc/82/26/11/806822611.db2.gz HTWXIXSRATWKCF-CQSZACIVSA-N 2 1 285.391 3.023 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000723691575 800337869 /nfs/dbraw/zinc/33/78/69/800337869.db2.gz QOWSOXFMYVRGBS-LBPRGKRZSA-N 2 1 266.454 3.216 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1CC[NH3+] ZINC000723891662 800343897 /nfs/dbraw/zinc/34/38/97/800343897.db2.gz OTLQCSUDCDCMOL-DGCLKSJQSA-N 2 1 286.341 3.122 20 0 CGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001256197239 806847285 /nfs/dbraw/zinc/84/72/85/806847285.db2.gz CPTXSNATZLHRCY-MRXNPFEDSA-N 2 1 264.388 3.207 20 0 CGADMP C[NH+]1CCC([NH2+]CC2c3ccccc3-c3ccccc32)CC1 ZINC001256201321 806848843 /nfs/dbraw/zinc/84/88/43/806848843.db2.gz FOFHBQIFKMPLRU-UHFFFAOYSA-N 2 1 292.426 3.483 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](CC2CC2)c2cccc(F)c2)CC1 ZINC001256201343 806850804 /nfs/dbraw/zinc/85/08/04/806850804.db2.gz GWAVSYVEFNHISC-KRWDZBQOSA-N 2 1 276.399 3.351 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001256358205 806865470 /nfs/dbraw/zinc/86/54/70/806865470.db2.gz DKSKHXZLGPFIAM-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001256358205 806865474 /nfs/dbraw/zinc/86/54/74/806865474.db2.gz DKSKHXZLGPFIAM-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001256371876 806875495 /nfs/dbraw/zinc/87/54/95/806875495.db2.gz VSSIVAZJVHJKCY-MRXNPFEDSA-N 2 1 296.499 3.386 20 0 CGADMP C[C@H]([NH3+])c1ccn([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256525876 806910063 /nfs/dbraw/zinc/91/00/63/806910063.db2.gz GHFDYMRZBVHACA-ZOBUZTSGSA-N 2 1 298.434 3.128 20 0 CGADMP C[C@H]1C[C@@H](n2cccc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529544 806911366 /nfs/dbraw/zinc/91/13/66/806911366.db2.gz VFCWPHNKTSUBRH-LPHOPBHVSA-N 2 1 297.446 3.215 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543649 806912490 /nfs/dbraw/zinc/91/24/90/806912490.db2.gz UOOUNXIWQIHAHG-YOEHRIQHSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543649 806912495 /nfs/dbraw/zinc/91/24/95/806912495.db2.gz UOOUNXIWQIHAHG-YOEHRIQHSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256543649 806912498 /nfs/dbraw/zinc/91/24/98/806912498.db2.gz UOOUNXIWQIHAHG-YOEHRIQHSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256543649 806912502 /nfs/dbraw/zinc/91/25/02/806912502.db2.gz UOOUNXIWQIHAHG-YOEHRIQHSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538893 806912631 /nfs/dbraw/zinc/91/26/31/806912631.db2.gz VOZZMRLTJNYWKI-AXUOBQJMSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538893 806912634 /nfs/dbraw/zinc/91/26/34/806912634.db2.gz VOZZMRLTJNYWKI-AXUOBQJMSA-N 2 1 284.447 3.428 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]C(C)(C)c2cccnc2)CC1 ZINC001256554277 806914336 /nfs/dbraw/zinc/91/43/36/806914336.db2.gz BXLZCVDDCQDNMR-UHFFFAOYSA-N 2 1 275.440 3.169 20 0 CGADMP CCCc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1 ZINC001164213599 806917274 /nfs/dbraw/zinc/91/72/74/806917274.db2.gz XZYAFUFVEALOKO-UHFFFAOYSA-N 2 1 289.467 3.077 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001256573748 806919287 /nfs/dbraw/zinc/91/92/87/806919287.db2.gz MYJSIEMMNNQXDQ-LBPRGKRZSA-N 2 1 274.399 3.226 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001256573748 806919292 /nfs/dbraw/zinc/91/92/92/806919292.db2.gz MYJSIEMMNNQXDQ-LBPRGKRZSA-N 2 1 274.399 3.226 20 0 CGADMP CC(C)[N@@H+](CC1CC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572761 806919781 /nfs/dbraw/zinc/91/97/81/806919781.db2.gz XEJABACDRSRNNK-UHFFFAOYSA-N 2 1 252.446 3.370 20 0 CGADMP Cc1ccc(C)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256612383 806926357 /nfs/dbraw/zinc/92/63/57/806926357.db2.gz FPYQXDMFTXHLBS-AYHJJNSGSA-N 2 1 272.436 3.061 20 0 CGADMP Cc1ccc2cc[nH+]c(N3C[C@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001164462795 806951744 /nfs/dbraw/zinc/95/17/44/806951744.db2.gz ULFHOXJHYKEXEB-KBPBESRZSA-N 2 1 269.392 3.107 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC001116509745 802368841 /nfs/dbraw/zinc/36/88/41/802368841.db2.gz ASMJAJFDFYOABQ-QGZVFWFLSA-N 2 1 292.442 3.326 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)[C@@H]2CCC[C@@H]21 ZINC001117138990 802436433 /nfs/dbraw/zinc/43/64/33/802436433.db2.gz AMXJHXYOXABEHG-QEJZJMRPSA-N 2 1 296.817 3.442 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC001120256710 802736705 /nfs/dbraw/zinc/73/67/05/802736705.db2.gz PFNRTUVNKJATEB-VBZNHOPUSA-N 2 1 296.458 3.464 20 0 CGADMP c1ccc(CCC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)nc1 ZINC001256901253 807002214 /nfs/dbraw/zinc/00/22/14/807002214.db2.gz GABKHFGGLFDNQI-KRWDZBQOSA-N 2 1 287.451 3.011 20 0 CGADMP c1ccc(CCC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)nc1 ZINC001256901253 807002221 /nfs/dbraw/zinc/00/22/21/807002221.db2.gz GABKHFGGLFDNQI-KRWDZBQOSA-N 2 1 287.451 3.011 20 0 CGADMP COC(=[NH2+])c1cccc(-c2cccc(OCC[NH+](C)C)c2)c1 ZINC001243750785 802982075 /nfs/dbraw/zinc/98/20/75/802982075.db2.gz SHWPBOOIOSXVPC-UHFFFAOYSA-N 2 1 298.386 3.266 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001206506705 813337650 /nfs/dbraw/zinc/33/76/50/813337650.db2.gz MJDXBKNSOWDYHR-UHFFFAOYSA-N 2 1 288.769 3.179 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)CCCC1 ZINC001208183700 813736284 /nfs/dbraw/zinc/73/62/84/813736284.db2.gz FHSSJVNQNOKUAF-HOTGVXAUSA-N 2 1 264.457 3.230 20 0 CGADMP c1cnc2cccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2c1 ZINC001137623083 803745793 /nfs/dbraw/zinc/74/57/93/803745793.db2.gz OIVJSJJGZKMDIC-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001137852798 803783538 /nfs/dbraw/zinc/78/35/38/803783538.db2.gz VGGRYBHPZYZXAU-CALCHBBNSA-N 2 1 272.436 3.077 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001137852798 803783545 /nfs/dbraw/zinc/78/35/45/803783545.db2.gz VGGRYBHPZYZXAU-CALCHBBNSA-N 2 1 272.436 3.077 20 0 CGADMP CCCc1ccc(C[N@H+](CC)CCC[NH+](C)C)s1 ZINC001138528608 803962417 /nfs/dbraw/zinc/96/24/17/803962417.db2.gz XPLFOSBFBQHTPZ-UHFFFAOYSA-N 2 1 268.470 3.474 20 0 CGADMP CCCc1ccc(C[N@@H+](CC)CCC[NH+](C)C)s1 ZINC001138528608 803962420 /nfs/dbraw/zinc/96/24/20/803962420.db2.gz XPLFOSBFBQHTPZ-UHFFFAOYSA-N 2 1 268.470 3.474 20 0 CGADMP CC[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CCOCC1 ZINC001138547586 803963013 /nfs/dbraw/zinc/96/30/13/803963013.db2.gz QFEKRRXUULLLSG-UHFFFAOYSA-N 2 1 299.418 3.182 20 0 CGADMP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CCOCC1 ZINC001138547586 803963019 /nfs/dbraw/zinc/96/30/19/803963019.db2.gz QFEKRRXUULLLSG-UHFFFAOYSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1 ZINC001138547727 803963966 /nfs/dbraw/zinc/96/39/66/803963966.db2.gz RXSMTPMRPWFEAJ-BHYGNILZSA-N 2 1 285.366 3.113 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1 ZINC001138547727 803963973 /nfs/dbraw/zinc/96/39/73/803963973.db2.gz RXSMTPMRPWFEAJ-BHYGNILZSA-N 2 1 285.366 3.113 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1 ZINC001138552037 803966906 /nfs/dbraw/zinc/96/69/06/803966906.db2.gz VZXBQOVNDRZWRO-MRXNPFEDSA-N 2 1 273.355 3.115 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]2CF)cc1 ZINC001138552037 803966911 /nfs/dbraw/zinc/96/69/11/803966911.db2.gz VZXBQOVNDRZWRO-MRXNPFEDSA-N 2 1 273.355 3.115 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)s1 ZINC001138756117 804032319 /nfs/dbraw/zinc/03/23/19/804032319.db2.gz XKYSSIJHGLEDMS-HUUCEWRRSA-N 2 1 292.492 3.474 20 0 CGADMP C[C@@H]1CC([NH2+]C2(c3ccc(Cl)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246076534 804114511 /nfs/dbraw/zinc/11/45/11/804114511.db2.gz ORHMLROAAHKQTE-VXGBXAGGSA-N 2 1 278.827 3.448 20 0 CGADMP CC[C@H]1CC[C@H](C2CCC([NH2+]CC[NH3+])CC2)CC1 ZINC001246077096 804115863 /nfs/dbraw/zinc/11/58/63/804115863.db2.gz GHOIWCMBBISMHF-MSBXVQKDSA-N 2 1 252.446 3.310 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246102295 804134932 /nfs/dbraw/zinc/13/49/32/804134932.db2.gz CNNPBOQGRWNZJO-IOASZLSFSA-N 2 1 280.843 3.249 20 0 CGADMP CCCCC[C@H](CC)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113197 804144364 /nfs/dbraw/zinc/14/43/64/804144364.db2.gz NJKCWYQZNBYBIT-LSDHHAIUSA-N 2 1 258.425 3.417 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246114606 804146005 /nfs/dbraw/zinc/14/60/05/804146005.db2.gz QHCRBOFUWVNMQV-DLBZAZTESA-N 2 1 278.415 3.079 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246120202 804151598 /nfs/dbraw/zinc/15/15/98/804151598.db2.gz YXTSEUIRZXSGPY-UKRRQHHQSA-N 2 1 250.430 3.077 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246137055 804160549 /nfs/dbraw/zinc/16/05/49/804160549.db2.gz UGVBIHTUCFADHZ-KNXALSJPSA-N 2 1 296.817 3.284 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2cc(O)ccc2c1 ZINC001139337346 804175102 /nfs/dbraw/zinc/17/51/02/804175102.db2.gz ASMKJAKIFWFTSY-UHFFFAOYSA-N 2 1 298.430 3.463 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2cc(O)ccc2c1 ZINC001139337346 804175106 /nfs/dbraw/zinc/17/51/06/804175106.db2.gz ASMKJAKIFWFTSY-UHFFFAOYSA-N 2 1 298.430 3.463 20 0 CGADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159157 804175226 /nfs/dbraw/zinc/17/52/26/804175226.db2.gz INGUZBMZGYCWCT-FGTMMUONSA-N 2 1 296.499 3.482 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159159 804175680 /nfs/dbraw/zinc/17/56/80/804175680.db2.gz INGUZBMZGYCWCT-OKZBNKHCSA-N 2 1 296.499 3.482 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001246167093 804182672 /nfs/dbraw/zinc/18/26/72/804182672.db2.gz CLJVUHCKSADBCU-KURKYZTESA-N 2 1 272.436 3.445 20 0 CGADMP CCCCCC[C@H](CC)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246180128 804193614 /nfs/dbraw/zinc/19/36/14/804193614.db2.gz PNJABMITSQROGE-LSDHHAIUSA-N 2 1 258.425 3.417 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC1([NH3+])CC1 ZINC001246211215 804209039 /nfs/dbraw/zinc/20/90/39/804209039.db2.gz PZMYSQBXYAKQLS-SNVBAGLBSA-N 2 1 287.234 3.395 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246213029 804210826 /nfs/dbraw/zinc/21/08/26/804210826.db2.gz PWHRNCCKSHNWOS-IAGOWNOFSA-N 3 1 297.531 3.397 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246220446 804214986 /nfs/dbraw/zinc/21/49/86/804214986.db2.gz JRYDAAFYFFUHTO-QWHCGFSZSA-N 2 1 262.388 3.036 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)cc1 ZINC001246224133 804218576 /nfs/dbraw/zinc/21/85/76/804218576.db2.gz ZRXCDCGUZDIJPB-GDBMZVCRSA-N 2 1 296.405 3.151 20 0 CGADMP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1C(C)C ZINC001139616838 804229463 /nfs/dbraw/zinc/22/94/63/804229463.db2.gz QEXOOQXFTSGWDZ-UHFFFAOYSA-N 2 1 290.451 3.345 20 0 CGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1C(C)C ZINC001139616838 804229469 /nfs/dbraw/zinc/22/94/69/804229469.db2.gz QEXOOQXFTSGWDZ-UHFFFAOYSA-N 2 1 290.451 3.345 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC001246256162 804240744 /nfs/dbraw/zinc/24/07/44/804240744.db2.gz NWCXESUZAZITAG-GXFFZTMASA-N 2 1 287.234 3.266 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC001246263809 804243529 /nfs/dbraw/zinc/24/35/29/804243529.db2.gz LNDUQEDIZOTGPA-QDMKHBRRSA-N 2 1 278.827 3.411 20 0 CGADMP [NH3+]CC1([NH2+]C2CCC(Oc3ccccc3)CC2)CCCC1 ZINC001246286337 804259546 /nfs/dbraw/zinc/25/95/46/804259546.db2.gz LBWIFNYPJRCHQG-UHFFFAOYSA-N 2 1 288.435 3.238 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]C1(c2cccc(Br)c2)CC1 ZINC001246297176 804264258 /nfs/dbraw/zinc/26/42/58/804264258.db2.gz VDIWSSKSRHJRRR-LLVKDONJSA-N 2 1 297.240 3.026 20 0 CGADMP CCC1CCC(C2CCC(N[C@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299193 804266852 /nfs/dbraw/zinc/26/68/52/804266852.db2.gz GMFJXEKZHSTLAY-AFKOEOOISA-N 3 1 295.515 3.375 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC[NH2+]1 ZINC001246309142 804271356 /nfs/dbraw/zinc/27/13/56/804271356.db2.gz UMCWXLIOLULPAE-PVXIVEMSSA-N 2 1 262.372 3.007 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cc1F ZINC001246313392 804275253 /nfs/dbraw/zinc/27/52/53/804275253.db2.gz FZMCIUIDQFVIGD-JVLSTEMRSA-N 2 1 268.351 3.146 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246328986 804284654 /nfs/dbraw/zinc/28/46/54/804284654.db2.gz NATMSHSOFUCMJF-YWPYICTPSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246333499 804288427 /nfs/dbraw/zinc/28/84/27/804288427.db2.gz VGANSJSPKUHJGM-LAVFITLUSA-N 2 1 272.436 3.443 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H](COC)c2ccccc2)CC[NH2+]1 ZINC001246357108 804302411 /nfs/dbraw/zinc/30/24/11/804302411.db2.gz VZFSNIZWLPTVCI-KURKYZTESA-N 2 1 290.451 3.275 20 0 CGADMP CC[N@@H+](Cc1cc2ccccc2n1C)C1CCN(C)CC1 ZINC001139870704 804303375 /nfs/dbraw/zinc/30/33/75/804303375.db2.gz OUEXOVWBVHOOMG-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CCc1cc2c(cc1CC)CC([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246377221 804311579 /nfs/dbraw/zinc/31/15/79/804311579.db2.gz FOIAULFBPGXPDG-ACJLOTCBSA-N 2 1 286.463 3.009 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCCCNC2)CC1 ZINC001246403296 804321584 /nfs/dbraw/zinc/32/15/84/804321584.db2.gz MACUINWUSYQNMF-KBAYOESNSA-N 2 1 293.499 3.033 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246408891 804323139 /nfs/dbraw/zinc/32/31/39/804323139.db2.gz XRKUCAIIGRWCDE-LAQRGFTBSA-N 3 1 293.499 3.032 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)cn1 ZINC001139933858 804329923 /nfs/dbraw/zinc/32/99/23/804329923.db2.gz VRFSJBACUISCGS-UHFFFAOYSA-N 2 1 287.451 3.229 20 0 CGADMP Fc1ccccc1CC1([NH2+][C@H]2CCCC[NH2+]C2)CCC1 ZINC001246433414 804332312 /nfs/dbraw/zinc/33/23/12/804332312.db2.gz JNTIHYXPEQZEOH-HNNXBMFYSA-N 2 1 276.399 3.023 20 0 CGADMP C[N@H+](Cc1cc2ccccc2cn1)CC1CC[NH+](C)CC1 ZINC001139997520 804348800 /nfs/dbraw/zinc/34/88/00/804348800.db2.gz HWGINRDKUNVWPI-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001140023809 804354576 /nfs/dbraw/zinc/35/45/76/804354576.db2.gz YLEFIXGKDZVJDM-AWEZNQCLSA-N 2 1 269.392 3.413 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)C[C@@H](C)C1 ZINC001246488382 804357302 /nfs/dbraw/zinc/35/73/02/804357302.db2.gz NJGATFKWWJRYAY-RFQIPJPRSA-N 2 1 274.399 3.036 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246495699 804361407 /nfs/dbraw/zinc/36/14/07/804361407.db2.gz ASYBGQWSYZWYKI-XAGWURHQSA-N 2 1 280.362 3.072 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246498120 804361809 /nfs/dbraw/zinc/36/18/09/804361809.db2.gz IMBSZHLUTGTYJF-IIYDPXPESA-N 2 1 294.389 3.462 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246509531 804366960 /nfs/dbraw/zinc/36/69/60/804366960.db2.gz DZOMRGCHNNOGGC-IRXDYDNUSA-N 3 1 295.515 3.151 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246521654 804375566 /nfs/dbraw/zinc/37/55/66/804375566.db2.gz PNPRKVKUUBZGLY-ROUUACIJSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246522991 804376106 /nfs/dbraw/zinc/37/61/06/804376106.db2.gz KRUHQILYGQJWMO-HNNXBMFYSA-N 2 1 290.426 3.222 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C[C@@H](C)CC(C)C)C1 ZINC001246550026 804400697 /nfs/dbraw/zinc/40/06/97/804400697.db2.gz LINKLFMMJAGOFA-JYJNAYRXSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246529997 804381246 /nfs/dbraw/zinc/38/12/46/804381246.db2.gz MMYREVAOTDPCES-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246529997 804381250 /nfs/dbraw/zinc/38/12/50/804381250.db2.gz MMYREVAOTDPCES-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246528699 804381334 /nfs/dbraw/zinc/38/13/34/804381334.db2.gz ZOECOMJXVKKCPQ-DLBZAZTESA-N 2 1 260.425 3.203 20 0 CGADMP CCCCCC1CCC([N@H+]2CCO[C@@H](CC[NH3+])C2)CC1 ZINC001246533533 804383641 /nfs/dbraw/zinc/38/36/41/804383641.db2.gz DLQPCTWGDNUOSX-JCYILVPMSA-N 2 1 282.472 3.175 20 0 CGADMP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)CC12CC2 ZINC001246535136 804383711 /nfs/dbraw/zinc/38/37/11/804383711.db2.gz WFDSEDBZGRBODY-GVDBMIGSSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@H]1C[N@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)CC12CC2 ZINC001246535136 804383718 /nfs/dbraw/zinc/38/37/18/804383718.db2.gz WFDSEDBZGRBODY-GVDBMIGSSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@H]1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CC12CC2 ZINC001246535087 804383753 /nfs/dbraw/zinc/38/37/53/804383753.db2.gz VPWAOERCKTWOMM-LSDHHAIUSA-N 2 1 262.441 3.303 20 0 CGADMP [NH3+][C@@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)CC12CC2 ZINC001246535087 804383762 /nfs/dbraw/zinc/38/37/62/804383762.db2.gz VPWAOERCKTWOMM-LSDHHAIUSA-N 2 1 262.441 3.303 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246542770 804390321 /nfs/dbraw/zinc/39/03/21/804390321.db2.gz YEUDRLHTGXOQIG-UAGQMJEPSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246542770 804390327 /nfs/dbraw/zinc/39/03/27/804390327.db2.gz YEUDRLHTGXOQIG-UAGQMJEPSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246540645 804390342 /nfs/dbraw/zinc/39/03/42/804390342.db2.gz BWTKKHRQJAKGRH-GOEBONIOSA-N 2 1 270.420 3.280 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246542089 804391559 /nfs/dbraw/zinc/39/15/59/804391559.db2.gz VHQBIQMQJKFVPX-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246542089 804391567 /nfs/dbraw/zinc/39/15/67/804391567.db2.gz VHQBIQMQJKFVPX-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH+]3CCCCCC3)CC[NH2+]2)cc1 ZINC001246547710 804394644 /nfs/dbraw/zinc/39/46/44/804394644.db2.gz MKXCDPVFUVXFAC-IAGOWNOFSA-N 2 1 258.409 3.356 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246546465 804395007 /nfs/dbraw/zinc/39/50/07/804395007.db2.gz MZPSXEOILMFJID-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP CC1(C)CCC[N@H+]1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246549977 804401151 /nfs/dbraw/zinc/40/11/51/804401151.db2.gz MVGXJPZZCZTXJZ-SJORKVTESA-N 2 1 272.436 3.224 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001246551819 804401908 /nfs/dbraw/zinc/40/19/08/804401908.db2.gz RKTTXGPPTFGPGH-XQQFMLRXSA-N 2 1 296.352 3.260 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)Cc2cccc(Cl)c2)C1 ZINC001246554089 804403903 /nfs/dbraw/zinc/40/39/03/804403903.db2.gz YROGDPXQWJVFPD-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)Cc2cccc(Cl)c2)C1 ZINC001246554089 804403906 /nfs/dbraw/zinc/40/39/06/804403906.db2.gz YROGDPXQWJVFPD-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246554543 804404628 /nfs/dbraw/zinc/40/46/28/804404628.db2.gz WHTADWAPEMEXQE-DOTOQJQBSA-N 2 1 260.425 3.129 20 0 CGADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CCC1(F)F ZINC001246557088 804405930 /nfs/dbraw/zinc/40/59/30/804405930.db2.gz LAIKUALGHPVFTK-OWCLPIDISA-N 2 1 294.389 3.239 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246556625 804406039 /nfs/dbraw/zinc/40/60/39/804406039.db2.gz JWSYRBBDNNDTRQ-UPJWGTAASA-N 2 1 274.399 3.117 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246560617 804409313 /nfs/dbraw/zinc/40/93/13/804409313.db2.gz QTVFCCZEMPJDPR-JYJNAYRXSA-N 2 1 252.446 3.428 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](C2CCCCCCC2)CCC1(F)F ZINC001246560497 804409823 /nfs/dbraw/zinc/40/98/23/804409823.db2.gz UZYZHSLCUVEASI-LBPRGKRZSA-N 2 1 260.372 3.015 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C[C@H]1C ZINC001246560441 804409994 /nfs/dbraw/zinc/40/99/94/804409994.db2.gz GTHLRHINLGTMEP-QCODTGAPSA-N 2 1 252.446 3.118 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccccc2-c2cccnc2)CC1 ZINC001140314481 804410573 /nfs/dbraw/zinc/41/05/73/804410573.db2.gz ZMKOJPVFHPMRGF-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246563776 804413251 /nfs/dbraw/zinc/41/32/51/804413251.db2.gz SNPIEFQOTOPLQU-ZACQAIPSSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC3(CCCCC3)CC2)C[C@H]1[NH3+] ZINC001246566110 804414218 /nfs/dbraw/zinc/41/42/18/804414218.db2.gz FKTKYBTXLWQZHG-UKRRQHHQSA-N 2 1 250.430 3.159 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C[C@@H](C)C1 ZINC001246566680 804415359 /nfs/dbraw/zinc/41/53/59/804415359.db2.gz JIWPTZVYAZUKOU-XFIYOXNOSA-N 2 1 252.446 3.118 20 0 CGADMP F[C@@H]1CCCC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246567116 804415456 /nfs/dbraw/zinc/41/54/56/804415456.db2.gz KUEUQVBPWYZDRD-KZNAEPCWSA-N 2 1 290.426 3.174 20 0 CGADMP F[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246567116 804415458 /nfs/dbraw/zinc/41/54/58/804415458.db2.gz KUEUQVBPWYZDRD-KZNAEPCWSA-N 2 1 290.426 3.174 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246570220 804417742 /nfs/dbraw/zinc/41/77/42/804417742.db2.gz UKWBLHSUTPNZFD-MELADBBJSA-N 2 1 272.502 3.213 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCC[C@](C)(F)C2)C[C@@H](CC)[NH2+]1 ZINC001246575717 804422624 /nfs/dbraw/zinc/42/26/24/804422624.db2.gz NMBFADQRIKNBPJ-NFAWXSAZSA-N 2 1 256.409 3.120 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@](C)(F)C2)C[C@@H](CC)[NH2+]1 ZINC001246575717 804422628 /nfs/dbraw/zinc/42/26/28/804422628.db2.gz NMBFADQRIKNBPJ-NFAWXSAZSA-N 2 1 256.409 3.120 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246576240 804422979 /nfs/dbraw/zinc/42/29/79/804422979.db2.gz NMBFADQRIKNBPJ-XGUBFFRZSA-N 2 1 256.409 3.120 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246576240 804422983 /nfs/dbraw/zinc/42/29/83/804422983.db2.gz NMBFADQRIKNBPJ-XGUBFFRZSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@]1(F)CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246576850 804423106 /nfs/dbraw/zinc/42/31/06/804423106.db2.gz PWNJXIWQETYTHS-HNNXBMFYSA-N 2 1 268.420 3.123 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246579911 804424950 /nfs/dbraw/zinc/42/49/50/804424950.db2.gz VEKBJTUKBQJNOQ-HOCLYGCPSA-N 2 1 252.446 3.406 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582466 804426642 /nfs/dbraw/zinc/42/66/42/804426642.db2.gz MSXCZLUBGCLWKD-SUMWQHHRSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246583444 804427719 /nfs/dbraw/zinc/42/77/19/804427719.db2.gz QYUTYDRQZQMDEY-KGLIPLIRSA-N 2 1 280.843 3.332 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001246584456 804428290 /nfs/dbraw/zinc/42/82/90/804428290.db2.gz NBKNISMJIJTGCJ-AEFFLSMTSA-N 2 1 274.452 3.377 20 0 CGADMP COc1cccc(C[C@@H](C)[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001246587049 804429340 /nfs/dbraw/zinc/42/93/40/804429340.db2.gz VEKZFWMHKBBTNA-QAPCUYQASA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246590486 804433724 /nfs/dbraw/zinc/43/37/24/804433724.db2.gz JREPSUZUARXJIU-PMPSAXMXSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246599203 804438673 /nfs/dbraw/zinc/43/86/73/804438673.db2.gz BCYOMFNNZKLTHU-SJLPKXTDSA-N 2 1 290.451 3.456 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246602998 804440212 /nfs/dbraw/zinc/44/02/12/804440212.db2.gz LDLWOTLBHJULQC-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246602998 804440214 /nfs/dbraw/zinc/44/02/14/804440214.db2.gz LDLWOTLBHJULQC-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CCC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246607239 804442215 /nfs/dbraw/zinc/44/22/15/804442215.db2.gz CMYDCZLUISFJAD-DQPZFDDXSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246607239 804442220 /nfs/dbraw/zinc/44/22/20/804442220.db2.gz CMYDCZLUISFJAD-DQPZFDDXSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C1 ZINC001246607236 804442330 /nfs/dbraw/zinc/44/23/30/804442330.db2.gz OXHUUYZPOGGSDH-BZUAXINKSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246609469 804443553 /nfs/dbraw/zinc/44/35/53/804443553.db2.gz YQTVPYRYQSICPY-ICSRJNTNSA-N 2 1 298.474 3.460 20 0 CGADMP C1CC2(CCCCC2)[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246613532 804446628 /nfs/dbraw/zinc/44/66/28/804446628.db2.gz LKGUXUFVJAKACT-CVEARBPZSA-N 2 1 262.441 3.317 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246615090 804448277 /nfs/dbraw/zinc/44/82/77/804448277.db2.gz CGGDXFRAQJUSHL-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246615090 804448281 /nfs/dbraw/zinc/44/82/81/804448281.db2.gz CGGDXFRAQJUSHL-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)C1 ZINC001246616431 804450711 /nfs/dbraw/zinc/45/07/11/804450711.db2.gz WHKKOKMWGZMOLG-HOCLYGCPSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617184 804451500 /nfs/dbraw/zinc/45/15/00/804451500.db2.gz YIQSTLZEKKTJOH-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617184 804451506 /nfs/dbraw/zinc/45/15/06/804451506.db2.gz YIQSTLZEKKTJOH-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP c1ccc2c(c1)CCCC21CC[NH+]([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246617963 804452176 /nfs/dbraw/zinc/45/21/76/804452176.db2.gz DZKJLFROHPMINV-GOSISDBHSA-N 2 1 298.474 3.499 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001246619094 804453333 /nfs/dbraw/zinc/45/33/33/804453333.db2.gz HJOUOIPAUWQQDL-JCYILVPMSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CCC[C@@H](C)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246620389 804453568 /nfs/dbraw/zinc/45/35/68/804453568.db2.gz AVPPMFIITGJZCX-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC1CCC([N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001246621057 804453579 /nfs/dbraw/zinc/45/35/79/804453579.db2.gz CNJZSMAYDQBRKK-GPQLOAJWSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246623659 804454865 /nfs/dbraw/zinc/45/48/65/804454865.db2.gz BGMVRDREMAIDCI-RHSMWYFYSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246623659 804454869 /nfs/dbraw/zinc/45/48/69/804454869.db2.gz BGMVRDREMAIDCI-RHSMWYFYSA-N 2 1 292.854 3.347 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246622693 804455650 /nfs/dbraw/zinc/45/56/50/804455650.db2.gz RSEVWWJTMSVXTN-IEBWSBKVSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246622693 804455655 /nfs/dbraw/zinc/45/56/55/804455655.db2.gz RSEVWWJTMSVXTN-IEBWSBKVSA-N 2 1 284.447 3.070 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246623362 804456016 /nfs/dbraw/zinc/45/60/16/804456016.db2.gz QCMRGVCNHWWZSG-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246630780 804461017 /nfs/dbraw/zinc/46/10/17/804461017.db2.gz LOXITIXLZUVBCJ-MRXNPFEDSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246629527 804461426 /nfs/dbraw/zinc/46/14/26/804461426.db2.gz FXAYKEFVNKLBBU-DOTOQJQBSA-N 2 1 290.476 3.161 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631025 804462172 /nfs/dbraw/zinc/46/21/72/804462172.db2.gz NQUPKGRSYKSSCH-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP C1C[NH2+][C@@]2(C1)CCC[N@H+](C1CCCCCC1)CC2 ZINC001246633088 804463961 /nfs/dbraw/zinc/46/39/61/804463961.db2.gz JIOUGBIOOCHUFH-INIZCTEOSA-N 2 1 250.430 3.317 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246633662 804464325 /nfs/dbraw/zinc/46/43/25/804464325.db2.gz LRWACYUEIOMKGY-BZUAXINKSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246633971 804464524 /nfs/dbraw/zinc/46/45/24/804464524.db2.gz YWZCWMUPQLBRFC-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246635872 804466243 /nfs/dbraw/zinc/46/62/43/804466243.db2.gz ANAABKXDLXQFBU-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP C1C[C@@H]2[C@H](CC[N@H+]2C2CCC3(CCCCC3)CC2)[NH2+]1 ZINC001246640324 804467328 /nfs/dbraw/zinc/46/73/28/804467328.db2.gz FQXAXEIHAOCVEK-JKSUJKDBSA-N 2 1 262.441 3.316 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246642860 804470497 /nfs/dbraw/zinc/47/04/97/804470497.db2.gz DLGBLWPZSLUXSC-GRAKBVBRSA-N 2 1 250.430 3.159 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246642860 804470499 /nfs/dbraw/zinc/47/04/99/804470499.db2.gz DLGBLWPZSLUXSC-GRAKBVBRSA-N 2 1 250.430 3.159 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC23CC[NH2+]CC3)C[C@@H]1C ZINC001246646204 804474024 /nfs/dbraw/zinc/47/40/24/804474024.db2.gz PACPLOQRUHFBIT-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@]13CC[NH2+]C3)CC2 ZINC001246645865 804474278 /nfs/dbraw/zinc/47/42/78/804474278.db2.gz WYLUFDXFNGXLPI-RTBURBONSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@]13CC[NH2+]C3)CC2 ZINC001246645865 804474282 /nfs/dbraw/zinc/47/42/82/804474282.db2.gz WYLUFDXFNGXLPI-RTBURBONSA-N 2 1 284.447 3.070 20 0 CGADMP C1C[C@H]2C[N@H+](C3CCC4(CCCCC4)CC3)C[C@H]2[NH2+]1 ZINC001246647698 804475375 /nfs/dbraw/zinc/47/53/75/804475375.db2.gz MNUADNLYYWQMLM-GOEBONIOSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246648814 804476005 /nfs/dbraw/zinc/47/60/05/804476005.db2.gz ZQJKJTCNYBZPGT-RHSMWYFYSA-N 2 1 276.424 3.065 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650498 804479025 /nfs/dbraw/zinc/47/90/25/804479025.db2.gz IWDKOTHSKORVBE-ROUUACIJSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650498 804479028 /nfs/dbraw/zinc/47/90/28/804479028.db2.gz IWDKOTHSKORVBE-ROUUACIJSA-N 2 1 295.515 3.105 20 0 CGADMP c1ccc(C2CCC([N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)CC2)cc1 ZINC001246655749 804480159 /nfs/dbraw/zinc/48/01/59/804480159.db2.gz ZUCXLDRXAPRGMQ-JYSRZZCRSA-N 2 1 270.420 3.007 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246656642 804482054 /nfs/dbraw/zinc/48/20/54/804482054.db2.gz KOSLTCLIQVUQFZ-NYMYIZQJSA-N 2 1 299.245 3.203 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246661219 804483865 /nfs/dbraw/zinc/48/38/65/804483865.db2.gz KOSLTCLIQVUQFZ-ADGXKJENSA-N 2 1 299.245 3.203 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246658785 804484035 /nfs/dbraw/zinc/48/40/35/804484035.db2.gz AOZUEHCJBNRLAL-MLHJIOFPSA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246669957 804487841 /nfs/dbraw/zinc/48/78/41/804487841.db2.gz DCNZOUCQYADLNF-BXXUTWAOSA-N 2 1 296.458 3.107 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246669966 804488605 /nfs/dbraw/zinc/48/86/05/804488605.db2.gz AVZWARCFXINJRD-LSTHTHJFSA-N 2 1 298.474 3.428 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001246677649 804491670 /nfs/dbraw/zinc/49/16/70/804491670.db2.gz KQRQPMDDXUCNND-OAHLLOKOSA-N 2 1 292.492 3.407 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001246681356 804494225 /nfs/dbraw/zinc/49/42/25/804494225.db2.gz NXHJOTBLEGWYDU-MRXNPFEDSA-N 2 1 274.452 3.248 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246679254 804494274 /nfs/dbraw/zinc/49/42/74/804494274.db2.gz SAEKADAWQQETQS-JYJNAYRXSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246699176 804499635 /nfs/dbraw/zinc/49/96/35/804499635.db2.gz ZJXYWSPROOMCSX-SQNIBIBYSA-N 2 1 290.426 3.031 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CC[NH2+]1 ZINC001246759503 804501609 /nfs/dbraw/zinc/50/16/09/804501609.db2.gz MGPPJFCBAIXPPR-ZBRFXRBCSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246770239 804502832 /nfs/dbraw/zinc/50/28/32/804502832.db2.gz OCADHZRHCVYYQB-KRWDZBQOSA-N 2 1 260.425 3.431 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246770239 804502837 /nfs/dbraw/zinc/50/28/37/804502837.db2.gz OCADHZRHCVYYQB-KRWDZBQOSA-N 2 1 260.425 3.431 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC)CC[NH2+]1 ZINC001246769114 804502967 /nfs/dbraw/zinc/50/29/67/804502967.db2.gz IFQAWMCWHKCRFK-IRXDYDNUSA-N 2 1 290.451 3.438 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC)CC[NH2+]1 ZINC001246769114 804502968 /nfs/dbraw/zinc/50/29/68/804502968.db2.gz IFQAWMCWHKCRFK-IRXDYDNUSA-N 2 1 290.451 3.438 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246773593 804504423 /nfs/dbraw/zinc/50/44/23/804504423.db2.gz BEBBTTANSKWWJR-UKBAYJJMSA-N 2 1 286.463 3.470 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246775670 804504704 /nfs/dbraw/zinc/50/47/04/804504704.db2.gz JJLMEOFGBNDDNO-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246778398 804506800 /nfs/dbraw/zinc/50/68/00/804506800.db2.gz VCZXBMYIEQSCER-SFHVURJKSA-N 2 1 298.474 3.473 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246778621 804506986 /nfs/dbraw/zinc/50/69/86/804506986.db2.gz WHKHFWKNKQHADQ-OKYOBFRVSA-N 2 1 284.447 3.224 20 0 CGADMP CC[C@@H]1CC([N@H+](C)Cc2cccs2)C[C@@H](CC)[NH2+]1 ZINC001246783611 804509891 /nfs/dbraw/zinc/50/98/91/804509891.db2.gz PMESBNDDQLWEFL-CHWSQXEVSA-N 2 1 266.454 3.489 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)Cc2cccs2)C[C@@H](CC)[NH2+]1 ZINC001246783611 804509897 /nfs/dbraw/zinc/50/98/97/804509897.db2.gz PMESBNDDQLWEFL-CHWSQXEVSA-N 2 1 266.454 3.489 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246783427 804510071 /nfs/dbraw/zinc/51/00/71/804510071.db2.gz XBIOWBHGEGHSCU-NWDGAFQWSA-N 2 1 284.806 3.081 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3coc4ccccc34)C[C@@H]2C1 ZINC001140785123 804512958 /nfs/dbraw/zinc/51/29/58/804512958.db2.gz OITBDOUPXAPJAW-GJZGRUSLSA-N 2 1 284.403 3.206 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791501 804514805 /nfs/dbraw/zinc/51/48/05/804514805.db2.gz KDLNHUDEINGWEK-HUUCEWRRSA-N 2 1 252.446 3.133 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1CN1CCC([NH+]2CCCCC2)CC1 ZINC001140799391 804519086 /nfs/dbraw/zinc/51/90/86/804519086.db2.gz BWUZOFNOJIJMRH-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP CC[C@@H]1CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246809488 804526763 /nfs/dbraw/zinc/52/67/63/804526763.db2.gz WTZHOTNNCHSBTQ-QQFBHYJXSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001246810478 804526928 /nfs/dbraw/zinc/52/69/28/804526928.db2.gz WYZFXYXGDLWWMO-QDMKHBRRSA-N 2 1 252.446 3.401 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246812547 804528190 /nfs/dbraw/zinc/52/81/90/804528190.db2.gz DQAYOYVZIMJLOQ-GOSISDBHSA-N 2 1 286.463 3.392 20 0 CGADMP Clc1ccccc1[C@H]1CC[N@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246811087 804529094 /nfs/dbraw/zinc/52/90/94/804529094.db2.gz RRFVPCWZEYVFFY-KBPBESRZSA-N 2 1 278.827 3.271 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246814755 804529808 /nfs/dbraw/zinc/52/98/08/804529808.db2.gz RRYSLCKFFXCTFX-UHFFFAOYSA-N 2 1 292.854 3.347 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246814819 804530576 /nfs/dbraw/zinc/53/05/76/804530576.db2.gz SKPAXTABICILCL-GJZGRUSLSA-N 2 1 266.454 3.491 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246814819 804530579 /nfs/dbraw/zinc/53/05/79/804530579.db2.gz SKPAXTABICILCL-GJZGRUSLSA-N 2 1 266.454 3.491 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001246823251 804536594 /nfs/dbraw/zinc/53/65/94/804536594.db2.gz NHZITYDLERCRBA-AAEUAGOBSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001246823251 804536597 /nfs/dbraw/zinc/53/65/97/804536597.db2.gz NHZITYDLERCRBA-AAEUAGOBSA-N 2 1 286.341 3.278 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2[nH]cc(C)c2C)CC1 ZINC001140864325 804536958 /nfs/dbraw/zinc/53/69/58/804536958.db2.gz NRKHUJUSAOZNQU-UHFFFAOYSA-N 2 1 277.456 3.328 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2[nH]cc(C)c2C)CC1 ZINC001140864325 804536963 /nfs/dbraw/zinc/53/69/63/804536963.db2.gz NRKHUJUSAOZNQU-UHFFFAOYSA-N 2 1 277.456 3.328 20 0 CGADMP CCCCCC(CCCCC)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246823900 804537647 /nfs/dbraw/zinc/53/76/47/804537647.db2.gz HISGKRBLTNHART-INIZCTEOSA-N 2 1 270.461 3.175 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246823900 804537649 /nfs/dbraw/zinc/53/76/49/804537649.db2.gz HISGKRBLTNHART-INIZCTEOSA-N 2 1 270.461 3.175 20 0 CGADMP COCC[N@@H+](C1CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC001246835246 804545123 /nfs/dbraw/zinc/54/51/23/804545123.db2.gz IAILJDBGAVUYDW-UHFFFAOYSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246838722 804546698 /nfs/dbraw/zinc/54/66/98/804546698.db2.gz FGURAKIORCILRY-ZIAGYGMSSA-N 2 1 276.424 3.046 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840213 804548877 /nfs/dbraw/zinc/54/88/77/804548877.db2.gz GKRZOJDQMVDHJR-FCGDIQPGSA-N 2 1 286.463 3.313 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246842369 804549565 /nfs/dbraw/zinc/54/95/65/804549565.db2.gz QEGDFAMGILHQOR-QKPAOTATSA-N 2 1 252.446 3.260 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246841252 804549789 /nfs/dbraw/zinc/54/97/89/804549789.db2.gz NLQZIFOKFRMGLD-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246841205 804550836 /nfs/dbraw/zinc/55/08/36/804550836.db2.gz MZXIULVGMNISPO-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843109 804551460 /nfs/dbraw/zinc/55/14/60/804551460.db2.gz UCCLGZQKZYOCQX-RDGPPVDQSA-N 2 1 286.463 3.457 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844263 804551536 /nfs/dbraw/zinc/55/15/36/804551536.db2.gz YDWLGCRQXGLJLQ-CGTJXYLNSA-N 2 1 272.436 3.254 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@H]1CCC[C@H](c3ccccc3)C1)C2 ZINC001246843851 804551926 /nfs/dbraw/zinc/55/19/26/804551926.db2.gz WXLUKOAOOSYGCD-OYSTVDSJSA-N 2 1 284.447 3.382 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246844228 804552825 /nfs/dbraw/zinc/55/28/25/804552825.db2.gz HSWFOPFXELUGHQ-OCCSQVGLSA-N 2 1 266.816 3.084 20 0 CGADMP c1ccc(C[C@H]2C[C@@H]([N@@H+]3C[C@@H]4CCCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246846557 804555573 /nfs/dbraw/zinc/55/55/73/804555573.db2.gz OODKEMGLRLLEGQ-YRPNKDGESA-N 2 1 298.474 3.472 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246846535 804555945 /nfs/dbraw/zinc/55/59/45/804555945.db2.gz ONCLCUIQBOQTMH-GUDVDZBRSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246847730 804558452 /nfs/dbraw/zinc/55/84/52/804558452.db2.gz MADPSBIVKLIBOF-IRXDYDNUSA-N 2 1 272.436 3.253 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849574 804560456 /nfs/dbraw/zinc/56/04/56/804560456.db2.gz GHGQDLQAXLQELA-GOEBONIOSA-N 2 1 278.827 3.271 20 0 CGADMP Clc1ccc([C@H]2CC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849574 804560459 /nfs/dbraw/zinc/56/04/59/804560459.db2.gz GHGQDLQAXLQELA-GOEBONIOSA-N 2 1 278.827 3.271 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861332 804564989 /nfs/dbraw/zinc/56/49/89/804564989.db2.gz AVQCRVNMAGUEID-MUQADHOPSA-N 2 1 270.420 3.279 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246861344 804565589 /nfs/dbraw/zinc/56/55/89/804565589.db2.gz JKHLGCSJRSNPSX-MRXNPFEDSA-N 2 1 276.399 3.322 20 0 CGADMP C[C@H]1CC[C@@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)C1 ZINC001246859212 804565698 /nfs/dbraw/zinc/56/56/98/804565698.db2.gz JCBCATXJCPGODS-DOTOQJQBSA-N 2 1 284.447 3.312 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246862996 804567019 /nfs/dbraw/zinc/56/70/19/804567019.db2.gz OQJVAJJNSGSXID-RHSMWYFYSA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246862996 804567024 /nfs/dbraw/zinc/56/70/24/804567024.db2.gz OQJVAJJNSGSXID-RHSMWYFYSA-N 2 1 290.426 3.351 20 0 CGADMP Fc1cccc2c1CC[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246862984 804567829 /nfs/dbraw/zinc/56/78/29/804567829.db2.gz OMACTKONBIJWOT-HNNXBMFYSA-N 2 1 288.410 3.106 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246867803 804570300 /nfs/dbraw/zinc/57/03/00/804570300.db2.gz JRXGZYYSBBJPQM-HNNXBMFYSA-N 2 1 294.389 3.319 20 0 CGADMP CC[C@H]1C[C@H]([N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC001246870527 804571486 /nfs/dbraw/zinc/57/14/86/804571486.db2.gz LSBIIWXDVDGDPS-JKSUJKDBSA-N 2 1 272.436 3.310 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)C1CCC2(CC[NH2+]C2)CC1 ZINC001246874967 804574349 /nfs/dbraw/zinc/57/43/49/804574349.db2.gz YAGUAEFGDWNYLD-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1C ZINC001246906231 804591311 /nfs/dbraw/zinc/59/13/11/804591311.db2.gz DCVWGWXSVKXCEU-SCAQPMJSSA-N 2 1 260.425 3.264 20 0 CGADMP Nc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246907044 804592168 /nfs/dbraw/zinc/59/21/68/804592168.db2.gz TVBCHBXHCKSVQV-GOSISDBHSA-N 2 1 299.462 3.082 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246909628 804592804 /nfs/dbraw/zinc/59/28/04/804592804.db2.gz FZCMRXLBONMSPP-MRXNPFEDSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)C2(C)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246909751 804593731 /nfs/dbraw/zinc/59/37/31/804593731.db2.gz KKFGDKWMSDVDHE-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246910950 804594682 /nfs/dbraw/zinc/59/46/82/804594682.db2.gz NYROXDKXTCRDJG-ZDUSSCGKSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246913287 804596635 /nfs/dbraw/zinc/59/66/35/804596635.db2.gz WCZRLKGCJHBELD-FUHWJXTLSA-N 2 1 290.426 3.222 20 0 CGADMP CCSC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246940341 804609927 /nfs/dbraw/zinc/60/99/27/804609927.db2.gz WIYOHRXXFFDCSA-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)C1CCC(C(C)C)CC1 ZINC001246952559 804616161 /nfs/dbraw/zinc/61/61/61/804616161.db2.gz ZQLUHMIAKRSNTR-UHFFFAOYSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CCC3(C[NH2+]C3)C2)c1C ZINC001246969783 804622239 /nfs/dbraw/zinc/62/22/39/804622239.db2.gz XFOVRMRPZWWZAV-SFHVURJKSA-N 2 1 284.447 3.410 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246973403 804623978 /nfs/dbraw/zinc/62/39/78/804623978.db2.gz HOUFLKZFWQCJSS-WJFTUGDTSA-N 2 1 286.463 3.457 20 0 CGADMP CC(C)[N@@H+]([C@@H](C)c1ccccc1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246976278 804624050 /nfs/dbraw/zinc/62/40/50/804624050.db2.gz YVAZFCMJTHCJDQ-GOEBONIOSA-N 2 1 290.476 3.306 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246991375 804631657 /nfs/dbraw/zinc/63/16/57/804631657.db2.gz XCMWQZSRYWPNGC-IAGOWNOFSA-N 2 1 297.531 3.063 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246991375 804631664 /nfs/dbraw/zinc/63/16/64/804631664.db2.gz XCMWQZSRYWPNGC-IAGOWNOFSA-N 2 1 297.531 3.063 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001246991322 804632085 /nfs/dbraw/zinc/63/20/85/804632085.db2.gz ZZTGKCNLGHAULP-SNVBAGLBSA-N 2 1 275.223 3.423 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001246991322 804632087 /nfs/dbraw/zinc/63/20/87/804632087.db2.gz ZZTGKCNLGHAULP-SNVBAGLBSA-N 2 1 275.223 3.423 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC001247000743 804634029 /nfs/dbraw/zinc/63/40/29/804634029.db2.gz XAKMUGZXSPMZND-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247013090 804641618 /nfs/dbraw/zinc/64/16/18/804641618.db2.gz FNKVELMUSZDEPU-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247013090 804641619 /nfs/dbraw/zinc/64/16/19/804641619.db2.gz FNKVELMUSZDEPU-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)C1 ZINC001247016131 804642836 /nfs/dbraw/zinc/64/28/36/804642836.db2.gz RTEQCAXLOPPFRX-GOEBONIOSA-N 2 1 270.420 3.270 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015207 804643650 /nfs/dbraw/zinc/64/36/50/804643650.db2.gz NIXFZLUTSTXDQK-FZKCQIBNSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015207 804643655 /nfs/dbraw/zinc/64/36/55/804643655.db2.gz NIXFZLUTSTXDQK-FZKCQIBNSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc3ccccc3c2)no1 ZINC001247696948 804798729 /nfs/dbraw/zinc/79/87/29/804798729.db2.gz ALWDGXDFGWJMIJ-OAHLLOKOSA-N 2 1 296.374 3.019 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2cc(Cl)cc(OC)c2)CC1 ZINC001144488587 804994755 /nfs/dbraw/zinc/99/47/55/804994755.db2.gz PAHIMWZZQIZUKK-UHFFFAOYSA-N 2 1 296.842 3.265 20 0 CGADMP FC(F)(F)c1c[nH+]ccc1Nc1cc[nH+]c2c1CCC2 ZINC001249584089 805180674 /nfs/dbraw/zinc/18/06/74/805180674.db2.gz CIKZPHILHWALHQ-UHFFFAOYSA-N 2 1 279.265 3.150 20 0 CGADMP c1ccc(C[N@@H+]2CCC=C(CC[NH+]3CCCC3)C2)cc1 ZINC001250163572 805453502 /nfs/dbraw/zinc/45/35/02/805453502.db2.gz BPFQIKTXQZJTAX-UHFFFAOYSA-N 2 1 270.420 3.305 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001257220681 807064661 /nfs/dbraw/zinc/06/46/61/807064661.db2.gz RQGOLLJYRITWOC-SFHVURJKSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001257220681 807064669 /nfs/dbraw/zinc/06/46/69/807064669.db2.gz RQGOLLJYRITWOC-SFHVURJKSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1ccc2c(C)cc(N(C)C[C@@H]3CC[NH2+]C3)[nH+]c2c1C ZINC001166958053 807117232 /nfs/dbraw/zinc/11/72/32/807117232.db2.gz QZTKHEJAWLXDHY-OAHLLOKOSA-N 2 1 283.419 3.206 20 0 CGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001257414168 807143316 /nfs/dbraw/zinc/14/33/16/807143316.db2.gz LQWMFDISQMKVCS-DLBZAZTESA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001257414168 807143322 /nfs/dbraw/zinc/14/33/22/807143322.db2.gz LQWMFDISQMKVCS-DLBZAZTESA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)OC1CCC([NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001257884157 807237730 /nfs/dbraw/zinc/23/77/30/807237730.db2.gz QXQUWHBFBTVMEA-UHFFFAOYSA-N 2 1 294.483 3.281 20 0 CGADMP CCN(CC)CC[N@@H+](CC)[C@@H](C)CCC[NH+](CC)CC ZINC001167827589 807256201 /nfs/dbraw/zinc/25/62/01/807256201.db2.gz XPOPAGUOSNJFSJ-KRWDZBQOSA-N 2 1 285.520 3.161 20 0 CGADMP CCN(CC[NH+](CC)CC)[C@@H](C)CCC[NH+](CC)CC ZINC001167827589 807256206 /nfs/dbraw/zinc/25/62/06/807256206.db2.gz XPOPAGUOSNJFSJ-KRWDZBQOSA-N 2 1 285.520 3.161 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1cscn1 ZINC001167833332 807257612 /nfs/dbraw/zinc/25/76/12/807257612.db2.gz AGAVUJLMWPRNTD-ZDUSSCGKSA-N 2 1 269.458 3.085 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cscn1 ZINC001167833332 807257616 /nfs/dbraw/zinc/25/76/16/807257616.db2.gz AGAVUJLMWPRNTD-ZDUSSCGKSA-N 2 1 269.458 3.085 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@H]1CC1(C)C ZINC001167836497 807258903 /nfs/dbraw/zinc/25/89/03/807258903.db2.gz DZTKSIXZRCULGX-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](C)C(F)(F)CC2)CC1 ZINC001258012082 807267563 /nfs/dbraw/zinc/26/75/63/807267563.db2.gz RZKJDJNOVHXRIF-AWEZNQCLSA-N 2 1 288.426 3.474 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167940365 807278093 /nfs/dbraw/zinc/27/80/93/807278093.db2.gz XJJHSQWXKWITCP-IVDHNXQLSA-N 2 1 296.458 3.157 20 0 CGADMP CC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959831 807287071 /nfs/dbraw/zinc/28/70/71/807287071.db2.gz SRDIUJKHLMHDQP-OHRKKDJYSA-N 2 1 250.430 3.028 20 0 CGADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC(F)(F)C1 ZINC001167965459 807288170 /nfs/dbraw/zinc/28/81/70/807288170.db2.gz GRANTWSDBFZHJI-GOOCMWNKSA-N 2 1 298.421 3.417 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258073771 807290312 /nfs/dbraw/zinc/29/03/12/807290312.db2.gz GBNVZJZTMNYGME-ULQDDVLXSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258073771 807290321 /nfs/dbraw/zinc/29/03/21/807290321.db2.gz GBNVZJZTMNYGME-ULQDDVLXSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258073771 807290327 /nfs/dbraw/zinc/29/03/27/807290327.db2.gz GBNVZJZTMNYGME-ULQDDVLXSA-N 2 1 266.473 3.475 20 0 CGADMP CC1CC([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984379 807290463 /nfs/dbraw/zinc/29/04/63/807290463.db2.gz OBKLCGZRPCKHDW-JDIXEAOESA-N 2 1 262.441 3.122 20 0 CGADMP CC1CC([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984379 807290466 /nfs/dbraw/zinc/29/04/66/807290466.db2.gz OBKLCGZRPCKHDW-JDIXEAOESA-N 2 1 262.441 3.122 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041594 807302649 /nfs/dbraw/zinc/30/26/49/807302649.db2.gz TYOCILDFPKTJJX-SCAQPMJSSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC001168142420 807321758 /nfs/dbraw/zinc/32/17/58/807321758.db2.gz CRAPJCDNYRVAGM-MAUKXSAKSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC001258154522 807324352 /nfs/dbraw/zinc/32/43/52/807324352.db2.gz ZCJUCOVGDDXDLU-AYIQCDPPSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC001258154522 807324360 /nfs/dbraw/zinc/32/43/60/807324360.db2.gz ZCJUCOVGDDXDLU-AYIQCDPPSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001168152332 807326877 /nfs/dbraw/zinc/32/68/77/807326877.db2.gz PUMGQPLAARBIEN-SJWGOKEGSA-N 2 1 292.854 3.486 20 0 CGADMP Cc1ccc(CC[N@H+](C)C2CCC([NH+](C)C)CC2)cc1 ZINC001168324255 807383400 /nfs/dbraw/zinc/38/34/00/807383400.db2.gz MAJNCBFDTQQFCW-UHFFFAOYSA-N 2 1 274.452 3.342 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001168322771 807384185 /nfs/dbraw/zinc/38/41/85/807384185.db2.gz HOYJFPXTLJGOFU-LEOMRAHMSA-N 2 1 288.435 3.013 20 0 CGADMP Cn1ccc2c1[nH+]ccc2N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168548388 807442940 /nfs/dbraw/zinc/44/29/40/807442940.db2.gz MIBDTBUJEDNWHZ-CYBMUJFWSA-N 2 1 292.386 3.157 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258439714 807452141 /nfs/dbraw/zinc/45/21/41/807452141.db2.gz LWNFCWKQOGDPRU-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@H](CC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258439714 807452143 /nfs/dbraw/zinc/45/21/43/807452143.db2.gz LWNFCWKQOGDPRU-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@H](CC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258439714 807452145 /nfs/dbraw/zinc/45/21/45/807452145.db2.gz LWNFCWKQOGDPRU-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001258599402 807497982 /nfs/dbraw/zinc/49/79/82/807497982.db2.gz ADOWDVCHXGMQPB-HUUCEWRRSA-N 2 1 252.446 3.406 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168735439 807500017 /nfs/dbraw/zinc/50/00/17/807500017.db2.gz TTZROWUELFKYNA-HNNXBMFYSA-N 2 1 292.854 3.225 20 0 CGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC001258606896 807503262 /nfs/dbraw/zinc/50/32/62/807503262.db2.gz DRLLWQILKCPETK-QGZVFWFLSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1cccnc1 ZINC001258615234 807511016 /nfs/dbraw/zinc/51/10/16/807511016.db2.gz FWQLSCSZQGQRRV-SJORKVTESA-N 2 1 297.446 3.110 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258649926 807522274 /nfs/dbraw/zinc/52/22/74/807522274.db2.gz UWFLYPVTYIMCMJ-ROUUACIJSA-N 2 1 274.452 3.472 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258664247 807531688 /nfs/dbraw/zinc/53/16/88/807531688.db2.gz HVUVZNOPIPFCAY-QGZVFWFLSA-N 3 1 285.520 3.338 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258664247 807531693 /nfs/dbraw/zinc/53/16/93/807531693.db2.gz HVUVZNOPIPFCAY-QGZVFWFLSA-N 3 1 285.520 3.338 20 0 CGADMP CCCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169099467 807575168 /nfs/dbraw/zinc/57/51/68/807575168.db2.gz SMVPBQPYSUUXAB-OSYLJGHBSA-N 2 1 288.435 3.190 20 0 CGADMP CCCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169099467 807575174 /nfs/dbraw/zinc/57/51/74/807575174.db2.gz SMVPBQPYSUUXAB-OSYLJGHBSA-N 2 1 288.435 3.190 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169109521 807578605 /nfs/dbraw/zinc/57/86/05/807578605.db2.gz CHROIXHAZUWLLI-DZUCGIPZSA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169102086 807579011 /nfs/dbraw/zinc/57/90/11/807579011.db2.gz WYFJVYLWFLEAIV-ZJOBFFGXSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169102086 807579015 /nfs/dbraw/zinc/57/90/15/807579015.db2.gz WYFJVYLWFLEAIV-ZJOBFFGXSA-N 2 1 276.399 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCc3ccccc3C1)C2 ZINC001169115303 807580967 /nfs/dbraw/zinc/58/09/67/807580967.db2.gz IIRRYOKVLGRZEG-UDTPNQRGSA-N 2 1 284.447 3.006 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169115490 807581653 /nfs/dbraw/zinc/58/16/53/807581653.db2.gz KDVCTAKOHKMFSE-CUSZFKRNSA-N 2 1 285.435 3.056 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001258740166 807584557 /nfs/dbraw/zinc/58/45/57/807584557.db2.gz MUCCYTIXDXGOHE-CJNGLKHVSA-N 2 1 280.843 3.345 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169126454 807584612 /nfs/dbraw/zinc/58/46/12/807584612.db2.gz UAANTUSUOQAMDF-BJWYYQGGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169126454 807584615 /nfs/dbraw/zinc/58/46/15/807584615.db2.gz UAANTUSUOQAMDF-BJWYYQGGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169126454 807584619 /nfs/dbraw/zinc/58/46/19/807584619.db2.gz UAANTUSUOQAMDF-BJWYYQGGSA-N 2 1 258.409 3.052 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001169125406 807585697 /nfs/dbraw/zinc/58/56/97/807585697.db2.gz HSYWMASORLTTRP-SIXLDLHFSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001169125406 807585703 /nfs/dbraw/zinc/58/57/03/807585703.db2.gz HSYWMASORLTTRP-SIXLDLHFSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001169125406 807585708 /nfs/dbraw/zinc/58/57/08/807585708.db2.gz HSYWMASORLTTRP-SIXLDLHFSA-N 2 1 270.420 3.231 20 0 CGADMP CCCC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142263 807588135 /nfs/dbraw/zinc/58/81/35/807588135.db2.gz SXKKGNLORQDIRU-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+]1CCO[C@@H](CN2CCCC2)C1 ZINC001258764231 807599950 /nfs/dbraw/zinc/59/99/50/807599950.db2.gz MLCLXHHEYNXGCY-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCO[C@@H](CN2CCCC2)C1 ZINC001258764231 807599952 /nfs/dbraw/zinc/59/99/52/807599952.db2.gz MLCLXHHEYNXGCY-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3cccc(C)c32)CC1 ZINC001258768108 807604327 /nfs/dbraw/zinc/60/43/27/807604327.db2.gz ZAFBRXGNFSAEDT-MRXNPFEDSA-N 2 1 288.435 3.283 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](c2cncc(C)c2)C2CC2)CC1 ZINC001258771773 807605147 /nfs/dbraw/zinc/60/51/47/807605147.db2.gz UAUHGQSQUIILQV-SFHVURJKSA-N 2 1 287.451 3.305 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)=O)cc2)CC1 ZINC001169233425 807610779 /nfs/dbraw/zinc/61/07/79/807610779.db2.gz QKYYOANBPNXTBR-ZDUSSCGKSA-N 2 1 274.408 3.024 20 0 CGADMP CC[NH+]1CCC([N@@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001169262363 807618382 /nfs/dbraw/zinc/61/83/82/807618382.db2.gz ZJNUFAHYBYPGBY-UHFFFAOYSA-N 2 1 272.436 3.264 20 0 CGADMP CC[NH+]1CCC([N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001169262363 807618386 /nfs/dbraw/zinc/61/83/86/807618386.db2.gz ZJNUFAHYBYPGBY-UHFFFAOYSA-N 2 1 272.436 3.264 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001258906974 807672195 /nfs/dbraw/zinc/67/21/95/807672195.db2.gz CJRSFVNNSVMSNE-CHWSQXEVSA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccncc1 ZINC001258908242 807672603 /nfs/dbraw/zinc/67/26/03/807672603.db2.gz TWGYHGWCRXJCPK-OAHLLOKOSA-N 2 1 263.429 3.024 20 0 CGADMP Cc1cccnc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001261182927 807712943 /nfs/dbraw/zinc/71/29/43/807712943.db2.gz BAJKFVZYCHJSGF-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001261566365 807757955 /nfs/dbraw/zinc/75/79/55/807757955.db2.gz CFTPFODHTFJJLI-GJZGRUSLSA-N 2 1 288.439 3.194 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001170145605 807774651 /nfs/dbraw/zinc/77/46/51/807774651.db2.gz UVJXAXPORXFGEJ-GDBMZVCRSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)nc1Cl ZINC001261853372 807795758 /nfs/dbraw/zinc/79/57/58/807795758.db2.gz FPZVBSCCWAWVGG-UHFFFAOYSA-N 2 1 293.842 3.009 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc(F)cc3)C[C@H]2C1 ZINC001262379376 807863695 /nfs/dbraw/zinc/86/36/95/807863695.db2.gz YQLVHQZOVLYXHE-JFIYKMOQSA-N 2 1 290.426 3.030 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001170602336 807866012 /nfs/dbraw/zinc/86/60/12/807866012.db2.gz ZYAZZXDMBPUWDK-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCC[NH+](CCC)CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715628 807882198 /nfs/dbraw/zinc/88/21/98/807882198.db2.gz JOAHGHWGFWCMFT-QKDCVEJESA-N 2 1 252.446 3.133 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C[C@@H]21 ZINC001170728279 807889024 /nfs/dbraw/zinc/88/90/24/807889024.db2.gz SHZMMEMTYFILOW-GKGDGIJHSA-N 2 1 296.458 3.141 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C[C@@H]21 ZINC001170728279 807889030 /nfs/dbraw/zinc/88/90/30/807889030.db2.gz SHZMMEMTYFILOW-GKGDGIJHSA-N 2 1 296.458 3.141 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170913146 807931065 /nfs/dbraw/zinc/93/10/65/807931065.db2.gz DSTMUAILORWABL-CQSZACIVSA-N 2 1 280.843 3.081 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+](CC[NH3+])Cc1ccccc1)C2 ZINC001171549636 808091625 /nfs/dbraw/zinc/09/16/25/808091625.db2.gz NTUXKCUNRLBGKL-LJQANCHMSA-N 2 1 294.442 3.313 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+](CC[NH3+])Cc1ccccc1)C2 ZINC001171549636 808091632 /nfs/dbraw/zinc/09/16/32/808091632.db2.gz NTUXKCUNRLBGKL-LJQANCHMSA-N 2 1 294.442 3.313 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C2 ZINC001171551996 808092891 /nfs/dbraw/zinc/09/28/91/808092891.db2.gz UAURDROGLYAGNY-SJLPKXTDSA-N 2 1 286.463 3.174 20 0 CGADMP CSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962571 808159961 /nfs/dbraw/zinc/15/99/61/808159961.db2.gz CGDQNDNKEPCATB-INIZCTEOSA-N 2 1 292.492 3.382 20 0 CGADMP CC1(C)C[C@H]([NH+]2CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171974923 808163064 /nfs/dbraw/zinc/16/30/64/808163064.db2.gz BAFCVCDNOAIUHK-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP CO[C@@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982068 808163460 /nfs/dbraw/zinc/16/34/60/808163460.db2.gz GYSPSPYEKPKJPX-RDJZCZTQSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnc2ccccn21 ZINC001172101229 808171566 /nfs/dbraw/zinc/17/15/66/808171566.db2.gz XPAGHMLMXVJYPZ-LVQVYYBASA-N 2 1 298.434 3.000 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1CCCC1)C2 ZINC001172102964 808173780 /nfs/dbraw/zinc/17/37/80/808173780.db2.gz RBOTVJKAKKEAHH-PHZGNYQRSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1c1ccccc1)C2 ZINC001172104315 808174129 /nfs/dbraw/zinc/17/41/29/808174129.db2.gz DXCJVWBMTPKWPL-ADHGMGHFSA-N 2 1 270.420 3.147 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1c1ccccc1)C2 ZINC001172104315 808174131 /nfs/dbraw/zinc/17/41/31/808174131.db2.gz DXCJVWBMTPKWPL-ADHGMGHFSA-N 2 1 270.420 3.147 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3ccc(C[NH3+])cc31)C2 ZINC001172102256 808174667 /nfs/dbraw/zinc/17/46/67/808174667.db2.gz LLODGYIYIFPKGL-BJWYYQGGSA-N 2 1 283.419 3.288 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccccc31)C2 ZINC001172103990 808175201 /nfs/dbraw/zinc/17/52/01/808175201.db2.gz YOKWKZRSLGRKKK-KYHPRHEASA-N 2 1 270.420 3.279 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccccc31)C2 ZINC001172103990 808175204 /nfs/dbraw/zinc/17/52/04/808175204.db2.gz YOKWKZRSLGRKKK-KYHPRHEASA-N 2 1 270.420 3.279 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172107031 808176403 /nfs/dbraw/zinc/17/64/03/808176403.db2.gz SMUJREOPDCOYIP-BJWYYQGGSA-N 2 1 276.399 3.239 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C2 ZINC001172107184 808176805 /nfs/dbraw/zinc/17/68/05/808176805.db2.gz UHNJIAKLNCDEOZ-XDQVBPFNSA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C2 ZINC001172107184 808176809 /nfs/dbraw/zinc/17/68/09/808176809.db2.gz UHNJIAKLNCDEOZ-XDQVBPFNSA-N 2 1 272.383 3.169 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172119792 808184162 /nfs/dbraw/zinc/18/41/62/808184162.db2.gz HYJLUDLTDKWBGH-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172119792 808184165 /nfs/dbraw/zinc/18/41/65/808184165.db2.gz HYJLUDLTDKWBGH-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172119792 808184168 /nfs/dbraw/zinc/18/41/68/808184168.db2.gz HYJLUDLTDKWBGH-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119792 808184171 /nfs/dbraw/zinc/18/41/71/808184171.db2.gz HYJLUDLTDKWBGH-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H]1c1ccccc1)C2 ZINC001172127211 808186656 /nfs/dbraw/zinc/18/66/56/808186656.db2.gz HKQPHVDTWLWEEY-XMTFNYHQSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H]1c1ccccc1)C2 ZINC001172127211 808186657 /nfs/dbraw/zinc/18/66/57/808186657.db2.gz HKQPHVDTWLWEEY-XMTFNYHQSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H]1c1ccccc1)C2 ZINC001172127211 808186660 /nfs/dbraw/zinc/18/66/60/808186660.db2.gz HKQPHVDTWLWEEY-XMTFNYHQSA-N 2 1 270.420 3.449 20 0 CGADMP CCC[N@H+](CC(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127214 808187245 /nfs/dbraw/zinc/18/72/45/808187245.db2.gz HSFDIMWHSREAGW-MUJYYYPQSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[N@@H+](CC(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127214 808187247 /nfs/dbraw/zinc/18/72/47/808187247.db2.gz HSFDIMWHSREAGW-MUJYYYPQSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[NH+](CC(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127214 808187253 /nfs/dbraw/zinc/18/72/53/808187253.db2.gz HSFDIMWHSREAGW-MUJYYYPQSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[NH+](CC(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127214 808187254 /nfs/dbraw/zinc/18/72/54/808187254.db2.gz HSFDIMWHSREAGW-MUJYYYPQSA-N 2 1 252.446 3.370 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172314838 808225728 /nfs/dbraw/zinc/22/57/28/808225728.db2.gz FFVMKTQUYVFGJT-JKSUJKDBSA-N 2 1 272.477 3.292 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172335401 808237265 /nfs/dbraw/zinc/23/72/65/808237265.db2.gz FBWAYAYTJAFTPI-HZPDHXFCSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H]1C ZINC001172380437 808273941 /nfs/dbraw/zinc/27/39/41/808273941.db2.gz SULYOFRUGGDROR-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+]CCC[N@@H+](C)CCO ZINC001172386493 808279148 /nfs/dbraw/zinc/27/91/48/808279148.db2.gz FECIPUQEUJGYBG-INIZCTEOSA-N 2 1 272.477 3.029 20 0 CGADMP CC[C@@H](CC(C)C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001172398484 808287575 /nfs/dbraw/zinc/28/75/75/808287575.db2.gz FICCLCHRCMGKMA-IRXDYDNUSA-N 2 1 260.425 3.197 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001172398484 808287583 /nfs/dbraw/zinc/28/75/83/808287583.db2.gz FICCLCHRCMGKMA-IRXDYDNUSA-N 2 1 260.425 3.197 20 0 CGADMP CCOCC[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172425259 808304619 /nfs/dbraw/zinc/30/46/19/808304619.db2.gz UQQNQFGUOHLUKL-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP CC(C)OCC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436269 808312533 /nfs/dbraw/zinc/31/25/33/808312533.db2.gz BYEQUPRDGIEPOU-DJIMGWMZSA-N 2 1 282.472 3.172 20 0 CGADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172538790 808371123 /nfs/dbraw/zinc/37/11/23/808371123.db2.gz SXJULDPDHJGWKL-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172568957 808395081 /nfs/dbraw/zinc/39/50/81/808395081.db2.gz QUOYMCCSIDWPTC-QRVBRYPASA-N 2 1 284.447 3.350 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172568957 808395090 /nfs/dbraw/zinc/39/50/90/808395090.db2.gz QUOYMCCSIDWPTC-QRVBRYPASA-N 2 1 284.447 3.350 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172568957 808395099 /nfs/dbraw/zinc/39/50/99/808395099.db2.gz QUOYMCCSIDWPTC-QRVBRYPASA-N 2 1 284.447 3.350 20 0 CGADMP CC[NH+](CC)C1CCC([NH2+]C2CCN(C(C)C)CC2)CC1 ZINC001173105791 808510853 /nfs/dbraw/zinc/51/08/53/808510853.db2.gz UIVVXSCHDNRWLD-UHFFFAOYSA-N 2 1 295.515 3.102 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C)[C@@](C)(O)CC2)CC1 ZINC001173108293 808512114 /nfs/dbraw/zinc/51/21/14/808512114.db2.gz ARDKFZUENCIHPS-BFWZDYSYSA-N 2 1 296.499 3.122 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3nc(C)sc3C2)CC1 ZINC001173114094 808513651 /nfs/dbraw/zinc/51/36/51/808513651.db2.gz VSOIRQHXSPTFHP-UHFFFAOYSA-N 2 1 293.480 3.420 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3nc(C)sc3C2)CC1 ZINC001173114094 808513654 /nfs/dbraw/zinc/51/36/54/808513654.db2.gz VSOIRQHXSPTFHP-UHFFFAOYSA-N 2 1 293.480 3.420 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC001173234441 808543044 /nfs/dbraw/zinc/54/30/44/808543044.db2.gz AWARDAZUTUBCOU-NNGSBXSVSA-N 2 1 274.452 3.382 20 0 CGADMP CC[N@H+]1CC[C@@H](n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001173366042 808631852 /nfs/dbraw/zinc/63/18/52/808631852.db2.gz VTWGJWRDTMOIQW-CVEARBPZSA-N 2 1 283.419 3.333 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001173539459 808646596 /nfs/dbraw/zinc/64/65/96/808646596.db2.gz OMZPJBWLEFZMGX-JQWIXIFHSA-N 2 1 287.234 3.348 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001173539459 808646598 /nfs/dbraw/zinc/64/65/98/808646598.db2.gz OMZPJBWLEFZMGX-JQWIXIFHSA-N 2 1 287.234 3.348 20 0 CGADMP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275062126 808902709 /nfs/dbraw/zinc/90/27/09/808902709.db2.gz POZWQLFVCSQRJT-AEFFLSMTSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275062126 808902714 /nfs/dbraw/zinc/90/27/14/808902714.db2.gz POZWQLFVCSQRJT-AEFFLSMTSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275062126 808902717 /nfs/dbraw/zinc/90/27/17/808902717.db2.gz POZWQLFVCSQRJT-AEFFLSMTSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275062126 808902722 /nfs/dbraw/zinc/90/27/22/808902722.db2.gz POZWQLFVCSQRJT-AEFFLSMTSA-N 2 1 289.467 3.349 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275074656 808904273 /nfs/dbraw/zinc/90/42/73/808904273.db2.gz UMPILYCNYNFAKL-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275074656 808904280 /nfs/dbraw/zinc/90/42/80/808904280.db2.gz UMPILYCNYNFAKL-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275074656 808904288 /nfs/dbraw/zinc/90/42/88/808904288.db2.gz UMPILYCNYNFAKL-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CSCCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275112833 808909927 /nfs/dbraw/zinc/90/99/27/808909927.db2.gz TYLIWECOULUYLI-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP CSCCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275112833 808909937 /nfs/dbraw/zinc/90/99/37/808909937.db2.gz TYLIWECOULUYLI-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP CSCCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275112833 808909945 /nfs/dbraw/zinc/90/99/45/808909945.db2.gz TYLIWECOULUYLI-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP Cn1c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc2ccccc21 ZINC001275415176 808936324 /nfs/dbraw/zinc/93/63/24/808936324.db2.gz XVKNGJOHROXXGO-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc2ccccc21 ZINC001275415176 808936326 /nfs/dbraw/zinc/93/63/26/808936326.db2.gz XVKNGJOHROXXGO-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc2ccccc21 ZINC001275415176 808936329 /nfs/dbraw/zinc/93/63/29/808936329.db2.gz XVKNGJOHROXXGO-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc2ccccc21 ZINC001275415176 808936332 /nfs/dbraw/zinc/93/63/32/808936332.db2.gz XVKNGJOHROXXGO-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@H]2CC1 ZINC001275820375 808968569 /nfs/dbraw/zinc/96/85/69/808968569.db2.gz FYSSCHYETYEALK-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]2CC1 ZINC001275820375 808968574 /nfs/dbraw/zinc/96/85/74/808968574.db2.gz FYSSCHYETYEALK-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@H]2CC1 ZINC001275820375 808968578 /nfs/dbraw/zinc/96/85/78/808968578.db2.gz FYSSCHYETYEALK-IYBDPMFKSA-N 2 1 294.389 3.398 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001275830631 808969886 /nfs/dbraw/zinc/96/98/86/808969886.db2.gz WRIXRQHYAPMAKJ-GASCZTMLSA-N 2 1 278.827 3.114 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001275830631 808969887 /nfs/dbraw/zinc/96/98/87/808969887.db2.gz WRIXRQHYAPMAKJ-GASCZTMLSA-N 2 1 278.827 3.114 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001275830631 808969889 /nfs/dbraw/zinc/96/98/89/808969889.db2.gz WRIXRQHYAPMAKJ-GASCZTMLSA-N 2 1 278.827 3.114 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccnc3ccccc13)C2 ZINC001275890306 808973607 /nfs/dbraw/zinc/97/36/07/808973607.db2.gz AXTXPJJNKILTKZ-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccnc3ccccc13)C2 ZINC001275890306 808973611 /nfs/dbraw/zinc/97/36/11/808973611.db2.gz AXTXPJJNKILTKZ-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC001275890306 808973613 /nfs/dbraw/zinc/97/36/13/808973613.db2.gz AXTXPJJNKILTKZ-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276031384 808985009 /nfs/dbraw/zinc/98/50/09/808985009.db2.gz IOLUBEUFXXSAIW-NUJGCVRESA-N 2 1 276.468 3.373 20 0 CGADMP CCc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001276043163 808986644 /nfs/dbraw/zinc/98/66/44/808986644.db2.gz VZUQPBDHEUZNJU-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001276043163 808986649 /nfs/dbraw/zinc/98/66/49/808986649.db2.gz VZUQPBDHEUZNJU-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC001276043163 808986653 /nfs/dbraw/zinc/98/66/53/808986653.db2.gz VZUQPBDHEUZNJU-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC001276043163 808986656 /nfs/dbraw/zinc/98/66/56/808986656.db2.gz VZUQPBDHEUZNJU-MRXNPFEDSA-N 2 1 278.465 3.228 20 0 CGADMP Cc1cc(C)cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001276171171 808990664 /nfs/dbraw/zinc/99/06/64/808990664.db2.gz DUFAJFQNNKYELP-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001276171171 808990670 /nfs/dbraw/zinc/99/06/70/808990670.db2.gz DUFAJFQNNKYELP-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001276171171 808990675 /nfs/dbraw/zinc/99/06/75/808990675.db2.gz DUFAJFQNNKYELP-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276170200 808990920 /nfs/dbraw/zinc/99/09/20/808990920.db2.gz SLMVNPPQOYQTDB-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276170200 808990925 /nfs/dbraw/zinc/99/09/25/808990925.db2.gz SLMVNPPQOYQTDB-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276170200 808990929 /nfs/dbraw/zinc/99/09/29/808990929.db2.gz SLMVNPPQOYQTDB-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276170200 808990933 /nfs/dbraw/zinc/99/09/33/808990933.db2.gz SLMVNPPQOYQTDB-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2CC1 ZINC001276402013 809006463 /nfs/dbraw/zinc/00/64/63/809006463.db2.gz RLYBKXZYVJDYSB-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2CC1 ZINC001276402013 809006469 /nfs/dbraw/zinc/00/64/69/809006469.db2.gz RLYBKXZYVJDYSB-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]2CC1 ZINC001276402013 809006476 /nfs/dbraw/zinc/00/64/76/809006476.db2.gz RLYBKXZYVJDYSB-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)s1 ZINC001276638955 809023719 /nfs/dbraw/zinc/02/37/19/809023719.db2.gz OIGWXRRVJDRWMJ-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)s1 ZINC001276638955 809023727 /nfs/dbraw/zinc/02/37/27/809023727.db2.gz OIGWXRRVJDRWMJ-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)s1 ZINC001276638955 809023736 /nfs/dbraw/zinc/02/37/36/809023736.db2.gz OIGWXRRVJDRWMJ-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)cc(C)n3)(C1)CCC2 ZINC001276768308 809028719 /nfs/dbraw/zinc/02/87/19/809028719.db2.gz VZQSMPPLJUMJAD-JKSUJKDBSA-N 2 1 293.842 3.198 20 0 CGADMP Cc1ccc(Cl)cc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276887974 809041795 /nfs/dbraw/zinc/04/17/95/809041795.db2.gz QQVKOGQNGJURLH-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276887974 809041799 /nfs/dbraw/zinc/04/17/99/809041799.db2.gz QQVKOGQNGJURLH-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276887974 809041803 /nfs/dbraw/zinc/04/18/03/809041803.db2.gz QQVKOGQNGJURLH-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c2cc[nH]c21 ZINC001277323944 809068673 /nfs/dbraw/zinc/06/86/73/809068673.db2.gz JFZGAXCCPZSWAD-AGUYFDCRSA-N 2 1 287.382 3.022 20 0 CGADMP Cc1ccc(O)cc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277545596 809080391 /nfs/dbraw/zinc/08/03/91/809080391.db2.gz WACQITAGWIWQCN-UHFFFAOYSA-N 2 1 288.435 3.008 20 0 CGADMP CC(C)OCC[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277657326 809087963 /nfs/dbraw/zinc/08/79/63/809087963.db2.gz HTYNMBBNCQBELQ-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)OCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277657326 809087969 /nfs/dbraw/zinc/08/79/69/809087969.db2.gz HTYNMBBNCQBELQ-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)OCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277657326 809087974 /nfs/dbraw/zinc/08/79/74/809087974.db2.gz HTYNMBBNCQBELQ-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)OCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277657326 809087978 /nfs/dbraw/zinc/08/79/78/809087978.db2.gz HTYNMBBNCQBELQ-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001277958828 809108901 /nfs/dbraw/zinc/10/89/01/809108901.db2.gz NDTRXVZXEMYRIZ-VQTPCSAVSA-N 2 1 296.499 3.169 20 0 CGADMP Cc1c[nH+]ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506027 809433639 /nfs/dbraw/zinc/43/36/39/809433639.db2.gz ZWYQMHRNWNHXAQ-UHFFFAOYSA-N 2 1 279.387 3.014 20 0 CGADMP Nc1cccc2[nH+]cn(-c3cccc(C[NH+]4CCCC4)c3)c21 ZINC001176196086 809645411 /nfs/dbraw/zinc/64/54/11/809645411.db2.gz VZCYOMAMWWNBJO-UHFFFAOYSA-N 2 1 292.386 3.204 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001177295187 809791712 /nfs/dbraw/zinc/79/17/12/809791712.db2.gz YUTFXUJLUWVKAR-KURKYZTESA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001177295203 809792334 /nfs/dbraw/zinc/79/23/34/809792334.db2.gz ZHNWIIKGPNPXAG-MHORFTMASA-N 2 1 296.499 3.148 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001178629054 809879962 /nfs/dbraw/zinc/87/99/62/809879962.db2.gz IQYYNQDLRFATQQ-QAPCUYQASA-N 2 1 274.452 3.254 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001178661690 809881164 /nfs/dbraw/zinc/88/11/64/809881164.db2.gz VIWOZVQXKPKXBO-SOUVJXGZSA-N 2 1 270.486 3.125 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001178661690 809881167 /nfs/dbraw/zinc/88/11/67/809881167.db2.gz VIWOZVQXKPKXBO-SOUVJXGZSA-N 2 1 270.486 3.125 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001179817667 809948410 /nfs/dbraw/zinc/94/84/10/809948410.db2.gz RFGXLVVEAQEMNM-RCCFBDPRSA-N 2 1 272.436 3.240 20 0 CGADMP CNc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001180149007 809978999 /nfs/dbraw/zinc/97/89/99/809978999.db2.gz SHRFPQLLYBMDPL-QGZVFWFLSA-N 2 1 287.451 3.179 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCOc2ccc(C)cc2)CC1 ZINC001180437614 810000983 /nfs/dbraw/zinc/00/09/83/810000983.db2.gz MISMQHCESBIXMS-UHFFFAOYSA-N 2 1 290.451 3.038 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)C1CC1)C1CCCCC1 ZINC001182742741 810122604 /nfs/dbraw/zinc/12/26/04/810122604.db2.gz IOWFTYQKEVSNNO-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP Clc1cc2ccccc2c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001190436983 810628641 /nfs/dbraw/zinc/62/86/41/810628641.db2.gz PZWDLBUGMWVNOF-GASCZTMLSA-N 2 1 286.806 3.144 20 0 CGADMP Clc1cc2ccccc2c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001190436983 810628646 /nfs/dbraw/zinc/62/86/46/810628646.db2.gz PZWDLBUGMWVNOF-GASCZTMLSA-N 2 1 286.806 3.144 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CC(C)(C)C1 ZINC001191259267 810694196 /nfs/dbraw/zinc/69/41/96/810694196.db2.gz VAJQAIMFAIJDAW-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CC(C)(C)C1 ZINC001191259267 810694199 /nfs/dbraw/zinc/69/41/99/810694199.db2.gz VAJQAIMFAIJDAW-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CC(C)(C)C1 ZINC001191259267 810694202 /nfs/dbraw/zinc/69/42/02/810694202.db2.gz VAJQAIMFAIJDAW-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3C3CC3)C[C@]2(C)C1 ZINC001196632047 811355379 /nfs/dbraw/zinc/35/53/79/811355379.db2.gz LNRJQUHYWKAVED-OALUTQOASA-N 2 1 284.447 3.338 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001199267959 811568037 /nfs/dbraw/zinc/56/80/37/811568037.db2.gz UDPHJVLCWHXQFI-FXUDXRNXSA-N 2 1 284.513 3.371 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001199267959 811568042 /nfs/dbraw/zinc/56/80/42/811568042.db2.gz UDPHJVLCWHXQFI-FXUDXRNXSA-N 2 1 284.513 3.371 20 0 CGADMP CCc1ncc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC001199346098 811572860 /nfs/dbraw/zinc/57/28/60/811572860.db2.gz XBPDQQWQJNWHGN-AWEZNQCLSA-N 2 1 295.496 3.307 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001201478479 811857215 /nfs/dbraw/zinc/85/72/15/811857215.db2.gz MPJHCAJXNGIENT-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001201478479 811857224 /nfs/dbraw/zinc/85/72/24/811857224.db2.gz MPJHCAJXNGIENT-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201495722 811865086 /nfs/dbraw/zinc/86/50/86/811865086.db2.gz FLWJHMFWDIBWNT-BRWVUGGUSA-N 2 1 264.457 3.252 20 0 CGADMP CC[C@@H](C)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201503302 811872407 /nfs/dbraw/zinc/87/24/07/811872407.db2.gz OFFSGBAPLQBUFX-CABCVRRESA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201503302 811872412 /nfs/dbraw/zinc/87/24/12/811872412.db2.gz OFFSGBAPLQBUFX-CABCVRRESA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@@H](C)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201503302 811872421 /nfs/dbraw/zinc/87/24/21/811872421.db2.gz OFFSGBAPLQBUFX-CABCVRRESA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@@H](C)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201503302 811872430 /nfs/dbraw/zinc/87/24/30/811872430.db2.gz OFFSGBAPLQBUFX-CABCVRRESA-N 2 1 292.471 3.146 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201568951 811908238 /nfs/dbraw/zinc/90/82/38/811908238.db2.gz ZOHLWNNEGGKWGN-BZUAXINKSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CCc2ccccc2)CC1 ZINC001201609618 811919183 /nfs/dbraw/zinc/91/91/83/811919183.db2.gz IRVNGKYHCQPRIH-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP CCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201652897 811931094 /nfs/dbraw/zinc/93/10/94/811931094.db2.gz WXFKUGUDJVIZHQ-MSOLQXFVSA-N 2 1 272.436 3.240 20 0 CGADMP CCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201652897 811931097 /nfs/dbraw/zinc/93/10/97/811931097.db2.gz WXFKUGUDJVIZHQ-MSOLQXFVSA-N 2 1 272.436 3.240 20 0 CGADMP CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201652897 811931103 /nfs/dbraw/zinc/93/11/03/811931103.db2.gz WXFKUGUDJVIZHQ-MSOLQXFVSA-N 2 1 272.436 3.240 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](C)[C@H]1OC ZINC001201760883 811963693 /nfs/dbraw/zinc/96/36/93/811963693.db2.gz JXYWUHQOPBFNKE-ZJIFWQFVSA-N 2 1 296.499 3.289 20 0 CGADMP CCO[C@@H](C[NH2+]C[C@@H](C)CC1CCCCC1)C[NH+](C)C ZINC001203633916 812412602 /nfs/dbraw/zinc/41/26/02/812412602.db2.gz KOLWDWWLTLETJE-RDJZCZTQSA-N 2 1 284.488 3.149 20 0 CGADMP Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC001204029190 812525128 /nfs/dbraw/zinc/52/51/28/812525128.db2.gz WPGKPYCQAXFJJU-SJORKVTESA-N 2 1 297.446 3.235 20 0 CGADMP Cc1[nH]c2ccccc2c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001204292536 812601067 /nfs/dbraw/zinc/60/10/67/812601067.db2.gz FRYBSMUOLNULTQ-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001204292536 812601070 /nfs/dbraw/zinc/60/10/70/812601070.db2.gz FRYBSMUOLNULTQ-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001204292536 812601075 /nfs/dbraw/zinc/60/10/75/812601075.db2.gz FRYBSMUOLNULTQ-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001204525247 812666336 /nfs/dbraw/zinc/66/63/36/812666336.db2.gz UJBKBGXRWQRASW-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001204525247 812666340 /nfs/dbraw/zinc/66/63/40/812666340.db2.gz UJBKBGXRWQRASW-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)CC1 ZINC001204529396 812668103 /nfs/dbraw/zinc/66/81/03/812668103.db2.gz BAXCHMBFZDCMJC-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP CCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)CC ZINC001204629684 812695433 /nfs/dbraw/zinc/69/54/33/812695433.db2.gz GYPMPZCESUHHNP-CQSZACIVSA-N 2 1 260.425 3.343 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[NH2+]CC2)c(C)c1C ZINC001204675789 812705702 /nfs/dbraw/zinc/70/57/02/812705702.db2.gz XEGVCLCETZTWCT-UHFFFAOYSA-N 2 1 260.425 3.024 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CCC[NH2+]CC2)c(C)c1C ZINC001204675789 812705705 /nfs/dbraw/zinc/70/57/05/812705705.db2.gz XEGVCLCETZTWCT-UHFFFAOYSA-N 2 1 260.425 3.024 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204742203 812722427 /nfs/dbraw/zinc/72/24/27/812722427.db2.gz KGMLZZFSYIDNCT-UHFFFAOYSA-N 2 1 294.389 3.239 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001204742168 812723091 /nfs/dbraw/zinc/72/30/91/812723091.db2.gz JEXRSDOBZHEURQ-UHFFFAOYSA-N 2 1 278.465 3.276 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001204763486 812728839 /nfs/dbraw/zinc/72/88/39/812728839.db2.gz MDQSUVZSNYLFGE-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@@]1([NH3+])CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001204763486 812728842 /nfs/dbraw/zinc/72/88/42/812728842.db2.gz MDQSUVZSNYLFGE-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204764437 812729609 /nfs/dbraw/zinc/72/96/09/812729609.db2.gz ZQAJEBGFJCBKJS-MAUKXSAKSA-N 2 1 274.452 3.412 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2COC(C)(C)[NH2+]2)c1 ZINC001204847898 812752932 /nfs/dbraw/zinc/75/29/32/812752932.db2.gz HNAPCGZORADVRF-IRXDYDNUSA-N 2 1 288.435 3.247 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2COC(C)(C)[NH2+]2)c1 ZINC001204847898 812752933 /nfs/dbraw/zinc/75/29/33/812752933.db2.gz HNAPCGZORADVRF-IRXDYDNUSA-N 2 1 288.435 3.247 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001205002103 812819664 /nfs/dbraw/zinc/81/96/64/812819664.db2.gz ZXLRQMQWSHRLBU-AWEZNQCLSA-N 2 1 297.240 3.325 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001205009243 812824035 /nfs/dbraw/zinc/82/40/35/812824035.db2.gz JWWSVTHYGAFDLE-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001205009243 812824045 /nfs/dbraw/zinc/82/40/45/812824045.db2.gz JWWSVTHYGAFDLE-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205094713 812860594 /nfs/dbraw/zinc/86/05/94/812860594.db2.gz OKCSYHRPJGVIDI-INIZCTEOSA-N 2 1 260.425 3.297 20 0 CGADMP Cc1cccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1C ZINC001205095814 812863802 /nfs/dbraw/zinc/86/38/02/812863802.db2.gz MCXSRQOULIBZLV-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP Cc1cccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1C ZINC001205095814 812863811 /nfs/dbraw/zinc/86/38/11/812863811.db2.gz MCXSRQOULIBZLV-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2-c2cccnc2)CC1 ZINC001205110549 812871116 /nfs/dbraw/zinc/87/11/16/812871116.db2.gz VTBXGINIDZOJRU-QGZVFWFLSA-N 2 1 281.403 3.062 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(-c3cccs3)n2)CC1 ZINC001205124110 812876044 /nfs/dbraw/zinc/87/60/44/812876044.db2.gz KHLOJXFTXFGTIZ-CYBMUJFWSA-N 2 1 287.432 3.123 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3cccs3)n2)CC1 ZINC001205124110 812876056 /nfs/dbraw/zinc/87/60/56/812876056.db2.gz KHLOJXFTXFGTIZ-CYBMUJFWSA-N 2 1 287.432 3.123 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC1 ZINC001205123915 812877225 /nfs/dbraw/zinc/87/72/25/812877225.db2.gz HCFJCIBCCUJZIH-SFHVURJKSA-N 2 1 296.414 3.372 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001205124380 812877488 /nfs/dbraw/zinc/87/74/88/812877488.db2.gz POYOQDSQKQIKKQ-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001205124380 812877494 /nfs/dbraw/zinc/87/74/94/812877494.db2.gz POYOQDSQKQIKKQ-CYBMUJFWSA-N 2 1 289.810 3.201 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C)c1cccc2ccccc21 ZINC001205171762 812897258 /nfs/dbraw/zinc/89/72/58/812897258.db2.gz XSEITSLWUOFQFU-HBUWYVDXSA-N 2 1 268.404 3.365 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H]1C)c1cccc2ccccc21 ZINC001205171762 812897268 /nfs/dbraw/zinc/89/72/68/812897268.db2.gz XSEITSLWUOFQFU-HBUWYVDXSA-N 2 1 268.404 3.365 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCCC[C@H]2c2ccccc2)CO1 ZINC001205170653 812897900 /nfs/dbraw/zinc/89/79/00/812897900.db2.gz ALDXFGZYOXDRJQ-IRXDYDNUSA-N 2 1 288.435 3.328 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCCC[C@H]2c2ccccc2)CO1 ZINC001205170653 812897911 /nfs/dbraw/zinc/89/79/11/812897911.db2.gz ALDXFGZYOXDRJQ-IRXDYDNUSA-N 2 1 288.435 3.328 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001205190920 812902521 /nfs/dbraw/zinc/90/25/21/812902521.db2.gz SARZELKJJHZMLJ-RDTXWAMCSA-N 2 1 266.388 3.275 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001205190920 812902529 /nfs/dbraw/zinc/90/25/29/812902529.db2.gz SARZELKJJHZMLJ-RDTXWAMCSA-N 2 1 266.388 3.275 20 0 CGADMP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)ccc1Cl ZINC001205273781 812926392 /nfs/dbraw/zinc/92/63/92/812926392.db2.gz PPQMPLXRDAQKRJ-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1Cl ZINC001205273781 812926395 /nfs/dbraw/zinc/92/63/95/812926395.db2.gz PPQMPLXRDAQKRJ-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3c2CCCC3)CC1 ZINC001205281526 812930114 /nfs/dbraw/zinc/93/01/14/812930114.db2.gz ULIQPHVTBKSEIK-SFHVURJKSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1OC(C)C ZINC001205289371 812933201 /nfs/dbraw/zinc/93/32/01/812933201.db2.gz XCTADWPKYOAVIG-SFHVURJKSA-N 2 1 290.451 3.486 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C[C@@H]1C[NH3+] ZINC001205303567 812941807 /nfs/dbraw/zinc/94/18/07/812941807.db2.gz IAWXEUUWLGHXCM-AAEUAGOBSA-N 2 1 291.826 3.238 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205305001 812944406 /nfs/dbraw/zinc/94/44/06/812944406.db2.gz QMCAMWNATFZKCB-PBHICJAKSA-N 2 1 260.425 3.056 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205314858 812947484 /nfs/dbraw/zinc/94/74/84/812947484.db2.gz CTNCXUPNBNQEDR-NHYWBVRUSA-N 2 1 280.843 3.374 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205315421 812947674 /nfs/dbraw/zinc/94/76/74/812947674.db2.gz GQNDVSNMKCZRFE-NWDGAFQWSA-N 2 1 298.883 3.479 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205315421 812947676 /nfs/dbraw/zinc/94/76/76/812947676.db2.gz GQNDVSNMKCZRFE-NWDGAFQWSA-N 2 1 298.883 3.479 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205316501 812948981 /nfs/dbraw/zinc/94/89/81/812948981.db2.gz KEUHGYMUEXXJDF-HIFRSBDPSA-N 2 1 294.414 3.030 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205316501 812948986 /nfs/dbraw/zinc/94/89/86/812948986.db2.gz KEUHGYMUEXXJDF-HIFRSBDPSA-N 2 1 294.414 3.030 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001205539072 812996882 /nfs/dbraw/zinc/99/68/82/812996882.db2.gz SBXSRXSEXRVPFB-OAHLLOKOSA-N 2 1 256.409 3.110 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546265 813000484 /nfs/dbraw/zinc/00/04/84/813000484.db2.gz TUQNQKUHNRLJPC-QGZVFWFLSA-N 2 1 294.414 3.127 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)cc2c1 ZINC001205558663 813002557 /nfs/dbraw/zinc/00/25/57/813002557.db2.gz HWCKANWXGZCDHQ-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(C)c1 ZINC001205558120 813002572 /nfs/dbraw/zinc/00/25/72/813002572.db2.gz BXEGHZGUMOUQLT-QGZVFWFLSA-N 2 1 294.414 3.047 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC001205569913 813005613 /nfs/dbraw/zinc/00/56/13/813005613.db2.gz AGSKGQHIIOCIRU-OAHLLOKOSA-N 2 1 286.341 3.277 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592039 813014698 /nfs/dbraw/zinc/01/46/98/813014698.db2.gz QLVRYVYPXWQVSB-MRXNPFEDSA-N 2 1 282.378 3.095 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Cl)nc1C ZINC001205592578 813015021 /nfs/dbraw/zinc/01/50/21/813015021.db2.gz WPRQREDDCNZLJV-OAHLLOKOSA-N 2 1 299.821 3.005 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001205603504 813019093 /nfs/dbraw/zinc/01/90/93/813019093.db2.gz PKXUWFHTFIDSRX-TZMCWYRMSA-N 2 1 266.816 3.147 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3ncccc23)CC[C@H]1C[NH3+] ZINC001205616430 813026846 /nfs/dbraw/zinc/02/68/46/813026846.db2.gz FLKJTYFMLXUWTM-GJZGRUSLSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2coc3ccc(F)cc23)CC[C@H]1C[NH3+] ZINC001205627398 813032718 /nfs/dbraw/zinc/03/27/18/813032718.db2.gz PGNMTAMWLLGDQM-OLZOCXBDSA-N 2 1 290.382 3.379 20 0 CGADMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205625274 813032740 /nfs/dbraw/zinc/03/27/40/813032740.db2.gz ASRBLNPMNFTWEH-JSGCOSHPSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205628881 813033869 /nfs/dbraw/zinc/03/38/69/813033869.db2.gz XLUBLKSWCYZFHO-AAEUAGOBSA-N 2 1 282.378 3.080 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205629159 813034301 /nfs/dbraw/zinc/03/43/01/813034301.db2.gz XVJUCVFUZQXBJU-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205636119 813036524 /nfs/dbraw/zinc/03/65/24/813036524.db2.gz CGVZLUNDHXHKFZ-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c3ccoc3ccc2F)CC[C@H]1C[NH3+] ZINC001205654175 813044766 /nfs/dbraw/zinc/04/47/66/813044766.db2.gz WPLXFKOYUDCLAG-OLZOCXBDSA-N 2 1 290.382 3.379 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205662885 813046641 /nfs/dbraw/zinc/04/66/41/813046641.db2.gz FDIVZKHUZNXEST-CVEARBPZSA-N 2 1 290.451 3.201 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205734635 813064573 /nfs/dbraw/zinc/06/45/73/813064573.db2.gz GBYZWJMFTQTQDC-KBPBESRZSA-N 2 1 274.399 3.285 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])o1 ZINC001205806848 813088350 /nfs/dbraw/zinc/08/83/50/813088350.db2.gz WGDJLOIWDYZLBM-UMVBOHGHSA-N 2 1 264.413 3.141 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])o1 ZINC001205806848 813088361 /nfs/dbraw/zinc/08/83/61/813088361.db2.gz WGDJLOIWDYZLBM-UMVBOHGHSA-N 2 1 264.413 3.141 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205814184 813091106 /nfs/dbraw/zinc/09/11/06/813091106.db2.gz BKTMDPMHLRRSGR-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205814184 813091116 /nfs/dbraw/zinc/09/11/16/813091116.db2.gz BKTMDPMHLRRSGR-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205832090 813102050 /nfs/dbraw/zinc/10/20/50/813102050.db2.gz ZJRVHIAHPIKSHB-RHSMWYFYSA-N 2 1 260.425 3.198 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205832090 813102051 /nfs/dbraw/zinc/10/20/51/813102051.db2.gz ZJRVHIAHPIKSHB-RHSMWYFYSA-N 2 1 260.425 3.198 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001205863420 813112629 /nfs/dbraw/zinc/11/26/29/813112629.db2.gz RMRNZICAGPWUTD-PBHICJAKSA-N 2 1 260.425 3.022 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001205863420 813112633 /nfs/dbraw/zinc/11/26/33/813112633.db2.gz RMRNZICAGPWUTD-PBHICJAKSA-N 2 1 260.425 3.022 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1CC ZINC001205902538 813125203 /nfs/dbraw/zinc/12/52/03/813125203.db2.gz KEDXNCCJXVCLBA-WMLDXEAASA-N 2 1 290.451 3.207 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1Br ZINC001205903530 813125823 /nfs/dbraw/zinc/12/58/23/813125823.db2.gz QAUDPGSTRSTVAX-RYUDHWBXSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1Br ZINC001205903530 813125827 /nfs/dbraw/zinc/12/58/27/813125827.db2.gz QAUDPGSTRSTVAX-RYUDHWBXSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001205912730 813129392 /nfs/dbraw/zinc/12/93/92/813129392.db2.gz BVOFHWBQLAHPPZ-ZBFHGGJFSA-N 2 1 268.404 3.351 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205913775 813130621 /nfs/dbraw/zinc/13/06/21/813130621.db2.gz JTFIFONDCHIHIX-KBPBESRZSA-N 2 1 294.414 3.174 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205913775 813130624 /nfs/dbraw/zinc/13/06/24/813130624.db2.gz JTFIFONDCHIHIX-KBPBESRZSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205916143 813132910 /nfs/dbraw/zinc/13/29/10/813132910.db2.gz SAGYNLYWYUYIKX-MAUKXSAKSA-N 2 1 274.452 3.444 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205923158 813135081 /nfs/dbraw/zinc/13/50/81/813135081.db2.gz JZCIJHYRDHRJQM-CHWSQXEVSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205923158 813135082 /nfs/dbraw/zinc/13/50/82/813135082.db2.gz JZCIJHYRDHRJQM-CHWSQXEVSA-N 2 1 296.842 3.298 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001205923301 813136031 /nfs/dbraw/zinc/13/60/31/813136031.db2.gz MOQHPHDZKFGNSI-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001205923301 813136034 /nfs/dbraw/zinc/13/60/34/813136034.db2.gz MOQHPHDZKFGNSI-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@H]1C[N@@H+](CCc2cccc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205984607 813151972 /nfs/dbraw/zinc/15/19/72/813151972.db2.gz SLMBDFOBLRWLIM-DZGCQCFKSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205980817 813151981 /nfs/dbraw/zinc/15/19/81/813151981.db2.gz AFQACISXHWIXJX-SJLPKXTDSA-N 2 1 274.452 3.316 20 0 CGADMP CC(C)CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001205990108 813153922 /nfs/dbraw/zinc/15/39/22/813153922.db2.gz OXTVNZHKVCOGBC-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001205990108 813153926 /nfs/dbraw/zinc/15/39/26/813153926.db2.gz OXTVNZHKVCOGBC-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)CCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001205990108 813153927 /nfs/dbraw/zinc/15/39/27/813153927.db2.gz OXTVNZHKVCOGBC-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205991842 813155094 /nfs/dbraw/zinc/15/50/94/813155094.db2.gz CROGUXYTRIFXGR-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC001205995939 813156856 /nfs/dbraw/zinc/15/68/56/813156856.db2.gz SEXDVUFIQYCJPN-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205995886 813157209 /nfs/dbraw/zinc/15/72/09/813157209.db2.gz RJEATLAXDQZYIE-WBVHZDCISA-N 2 1 290.451 3.281 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3F)CCC[C@@H]1C[NH3+] ZINC001205997081 813158383 /nfs/dbraw/zinc/15/83/83/813158383.db2.gz ZQYQGQQQVCBRED-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CCC[C@@H]1C[NH3+] ZINC001206002747 813160724 /nfs/dbraw/zinc/16/07/24/813160724.db2.gz AIDNISPTONGCCH-HUUCEWRRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccc3)cc2)CCC[C@@H]1C[NH3+] ZINC001206011579 813163612 /nfs/dbraw/zinc/16/36/12/813163612.db2.gz DYMRGCVJNHCPAN-SJLPKXTDSA-N 2 1 297.446 3.284 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206014874 813166161 /nfs/dbraw/zinc/16/61/61/813166161.db2.gz YIIMVSJMLODLPV-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3scnc3c2)CCC[C@H]1C[NH3+] ZINC001206014153 813166537 /nfs/dbraw/zinc/16/65/37/813166537.db2.gz WDTIRTXQLQZUCP-OCCSQVGLSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C[C@H]1C ZINC001206109758 813202558 /nfs/dbraw/zinc/20/25/58/813202558.db2.gz GNUGILWQMVRRTB-HUUCEWRRSA-N 2 1 272.436 3.200 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163751 813220504 /nfs/dbraw/zinc/22/05/04/813220504.db2.gz FGOCMOBQRQADNX-JKSUJKDBSA-N 2 1 264.388 3.071 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Cl)CC[C@@H]1F ZINC001206165520 813222066 /nfs/dbraw/zinc/22/20/66/813222066.db2.gz NRSMFNWTLSWROQ-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC[C@@H]1F ZINC001206165520 813222069 /nfs/dbraw/zinc/22/20/69/813222069.db2.gz NRSMFNWTLSWROQ-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@@H]1F ZINC001206173525 813225978 /nfs/dbraw/zinc/22/59/78/813225978.db2.gz HVDLGRGSUMIYJT-DLBZAZTESA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@@H]1F ZINC001206173525 813225983 /nfs/dbraw/zinc/22/59/83/813225983.db2.gz HVDLGRGSUMIYJT-DLBZAZTESA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[C@H]1F ZINC001206182715 813231047 /nfs/dbraw/zinc/23/10/47/813231047.db2.gz DIGMRHDTDHIOJE-ZIAGYGMSSA-N 2 1 278.396 3.163 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206201099 813237925 /nfs/dbraw/zinc/23/79/25/813237925.db2.gz VPNPEWCQUSXYDW-CABCVRRESA-N 2 1 284.806 3.218 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206263391 813262073 /nfs/dbraw/zinc/26/20/73/813262073.db2.gz WHSFYOAOJVQDKE-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206263391 813262078 /nfs/dbraw/zinc/26/20/78/813262078.db2.gz WHSFYOAOJVQDKE-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP COc1ccccc1CCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297642 813276529 /nfs/dbraw/zinc/27/65/29/813276529.db2.gz ZCVZDUFDLOLBMJ-GOSISDBHSA-N 2 1 290.451 3.079 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206303201 813279127 /nfs/dbraw/zinc/27/91/27/813279127.db2.gz CSPDXCPTLROPAI-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001206303736 813280299 /nfs/dbraw/zinc/28/02/99/813280299.db2.gz GGZGGMYPLRKSQN-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001206305185 813281168 /nfs/dbraw/zinc/28/11/68/813281168.db2.gz VSQCLJLIAXXUHG-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1sccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206325766 813290756 /nfs/dbraw/zinc/29/07/56/813290756.db2.gz JJYLRRFRFFSFRI-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC001206542060 813343962 /nfs/dbraw/zinc/34/39/62/813343962.db2.gz QGWJQGYZYHUGOU-WBVHZDCISA-N 2 1 260.425 3.241 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC001206549437 813347955 /nfs/dbraw/zinc/34/79/55/813347955.db2.gz MYJXUMMKMSQWOR-GOSISDBHSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC001206550170 813349426 /nfs/dbraw/zinc/34/94/26/813349426.db2.gz WYNSDDDNIHLAJW-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1F ZINC001206549393 813349698 /nfs/dbraw/zinc/34/96/98/813349698.db2.gz METDRNQSGPHKCB-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)s1 ZINC001206556271 813351743 /nfs/dbraw/zinc/35/17/43/813351743.db2.gz PZLVFEFQACREAQ-CQSZACIVSA-N 2 1 284.494 3.421 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC001206556064 813352230 /nfs/dbraw/zinc/35/22/30/813352230.db2.gz MVOCTHKXMQVVGX-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)s1 ZINC001206565992 813357244 /nfs/dbraw/zinc/35/72/44/813357244.db2.gz XIDDNFFTRRYUBW-HNNXBMFYSA-N 2 1 266.454 3.261 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206572881 813359275 /nfs/dbraw/zinc/35/92/75/813359275.db2.gz GYHNQPBHYAUSFB-QGZVFWFLSA-N 2 1 278.415 3.393 20 0 CGADMP CC(C)[N@H+](Cc1cc(F)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582946 813363103 /nfs/dbraw/zinc/36/31/03/813363103.db2.gz QTWVHDQRXKHMOO-HNNXBMFYSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@@H+](Cc1cc(F)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582946 813363111 /nfs/dbraw/zinc/36/31/11/813363111.db2.gz QTWVHDQRXKHMOO-HNNXBMFYSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@@H+](CCc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206583464 813363763 /nfs/dbraw/zinc/36/37/63/813363763.db2.gz VAFHRQSQCAVNNE-HNNXBMFYSA-N 2 1 296.405 3.360 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206606408 813373157 /nfs/dbraw/zinc/37/31/57/813373157.db2.gz NBQVHQZGKHKYGX-KRWDZBQOSA-N 2 1 290.451 3.426 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc21 ZINC001206616954 813375957 /nfs/dbraw/zinc/37/59/57/813375957.db2.gz VFECAIZJTMZZQF-MRXNPFEDSA-N 2 1 285.435 3.222 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001206622876 813376847 /nfs/dbraw/zinc/37/68/47/813376847.db2.gz IGNZPRJEDDKLSW-QGZVFWFLSA-N 2 1 295.430 3.309 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001206640738 813384046 /nfs/dbraw/zinc/38/40/46/813384046.db2.gz MCUXDBRTACXQNE-INIZCTEOSA-N 2 1 295.430 3.309 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001206711244 813403748 /nfs/dbraw/zinc/40/37/48/813403748.db2.gz HGWHUDBIPRZSFQ-UHFFFAOYSA-N 2 1 266.388 3.134 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001206760839 813426333 /nfs/dbraw/zinc/42/63/33/813426333.db2.gz MQYKZHAHECVKLO-ZFWWWQNUSA-N 2 1 280.843 3.332 20 0 CGADMP Cc1noc(C)c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001207139720 813496016 /nfs/dbraw/zinc/49/60/16/813496016.db2.gz JWWGRFMMTKYUHQ-JKSUJKDBSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1noc(C)c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001207139720 813496020 /nfs/dbraw/zinc/49/60/20/813496020.db2.gz JWWGRFMMTKYUHQ-JKSUJKDBSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001207139720 813496024 /nfs/dbraw/zinc/49/60/24/813496024.db2.gz JWWGRFMMTKYUHQ-JKSUJKDBSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001207139720 813496028 /nfs/dbraw/zinc/49/60/28/813496028.db2.gz JWWGRFMMTKYUHQ-JKSUJKDBSA-N 2 1 291.439 3.130 20 0 CGADMP C[N@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207177161 813505765 /nfs/dbraw/zinc/50/57/65/813505765.db2.gz MEQDAMRAEOMPCL-RHSMWYFYSA-N 2 1 292.854 3.470 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207177161 813505771 /nfs/dbraw/zinc/50/57/71/813505771.db2.gz MEQDAMRAEOMPCL-RHSMWYFYSA-N 2 1 292.854 3.470 20 0 CGADMP C[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207177165 813506720 /nfs/dbraw/zinc/50/67/20/813506720.db2.gz MEQDAMRAEOMPCL-YOEHRIQHSA-N 2 1 292.854 3.470 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207177165 813506726 /nfs/dbraw/zinc/50/67/26/813506726.db2.gz MEQDAMRAEOMPCL-YOEHRIQHSA-N 2 1 292.854 3.470 20 0 CGADMP C[N@H+](Cc1ccno1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294503 813537754 /nfs/dbraw/zinc/53/77/54/813537754.db2.gz RFIBQTDUBIKDGG-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001207398326 813556908 /nfs/dbraw/zinc/55/69/08/813556908.db2.gz IGFSOCZTTXIKED-IBGZPJMESA-N 2 1 286.463 3.283 20 0 CGADMP FC1(F)C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC001207442312 813566077 /nfs/dbraw/zinc/56/60/77/813566077.db2.gz YBMMRJUBVYRAJP-INIZCTEOSA-N 2 1 294.389 3.111 20 0 CGADMP FC1(F)C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC001207442312 813566081 /nfs/dbraw/zinc/56/60/81/813566081.db2.gz YBMMRJUBVYRAJP-INIZCTEOSA-N 2 1 294.389 3.111 20 0 CGADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(F)c1F ZINC001207487902 813574730 /nfs/dbraw/zinc/57/47/30/813574730.db2.gz XXFSAOWTFJNAFU-UHFFFAOYSA-N 2 1 282.378 3.129 20 0 CGADMP Clc1ccc(CCC[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001207599745 813608212 /nfs/dbraw/zinc/60/82/12/813608212.db2.gz VJVWDRCVYWUTQJ-UHFFFAOYSA-N 2 1 292.854 3.443 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC1 ZINC001207683101 813635902 /nfs/dbraw/zinc/63/59/02/813635902.db2.gz LDIOWBPZNHTVPN-INIZCTEOSA-N 2 1 298.515 3.370 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207693628 813637574 /nfs/dbraw/zinc/63/75/74/813637574.db2.gz UVEAFHAWIQQJMD-INIZCTEOSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2CCSCC2)CC1 ZINC001207748158 813644610 /nfs/dbraw/zinc/64/46/10/813644610.db2.gz WTBYVKJWJIKSKI-UHFFFAOYSA-N 2 1 284.513 3.182 20 0 CGADMP C[N@@H+](Cc1cccc2cccnc21)CC1(C)CC[NH+](C)CC1 ZINC001208110965 813694191 /nfs/dbraw/zinc/69/41/91/813694191.db2.gz ALDRWZSLYJFNTB-UHFFFAOYSA-N 2 1 297.446 3.399 20 0 CGADMP CC[N@@H+](Cc1cccs1)CC1(C)CC[NH+](C)CC1 ZINC001208109817 813694995 /nfs/dbraw/zinc/69/49/95/813694995.db2.gz RXHXFBYPJQZYPJ-UHFFFAOYSA-N 2 1 266.454 3.302 20 0 CGADMP CS[C@H](C)CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208152469 813710410 /nfs/dbraw/zinc/71/04/10/813710410.db2.gz HLSJSQHTDIPOIZ-OWCLPIDISA-N 2 1 284.513 3.467 20 0 CGADMP CS[C@H](C)CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208152469 813710413 /nfs/dbraw/zinc/71/04/13/813710413.db2.gz HLSJSQHTDIPOIZ-OWCLPIDISA-N 2 1 284.513 3.467 20 0 CGADMP CS[C@H](C)CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001208152469 813710414 /nfs/dbraw/zinc/71/04/14/813710414.db2.gz HLSJSQHTDIPOIZ-OWCLPIDISA-N 2 1 284.513 3.467 20 0 CGADMP COCC[N@H+](C[C@H]1CCC(C)=C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001208177998 813728721 /nfs/dbraw/zinc/72/87/21/813728721.db2.gz UYHDOKMPSFHOHE-DLBZAZTESA-N 2 1 294.483 3.021 20 0 CGADMP COCC[N@@H+](C[C@H]1CCC(C)=C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001208177998 813728726 /nfs/dbraw/zinc/72/87/26/813728726.db2.gz UYHDOKMPSFHOHE-DLBZAZTESA-N 2 1 294.483 3.021 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3ccc(C)cc3C2)CC1 ZINC001208592496 813769403 /nfs/dbraw/zinc/76/94/03/813769403.db2.gz JKSICRHUJYWJBA-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCc2ccc(F)cc2)CC1 ZINC001208597580 813770710 /nfs/dbraw/zinc/77/07/10/813770710.db2.gz JHHIBAQEKSXOSN-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605971 813771933 /nfs/dbraw/zinc/77/19/33/813771933.db2.gz CSLVUIDSTDVEMH-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605971 813771939 /nfs/dbraw/zinc/77/19/39/813771939.db2.gz CSLVUIDSTDVEMH-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605971 813771944 /nfs/dbraw/zinc/77/19/44/813771944.db2.gz CSLVUIDSTDVEMH-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605971 813771949 /nfs/dbraw/zinc/77/19/49/813771949.db2.gz CSLVUIDSTDVEMH-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001208607291 813772665 /nfs/dbraw/zinc/77/26/65/813772665.db2.gz LGWMNIOEAMITMN-RBUKOAKNSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001208607291 813772668 /nfs/dbraw/zinc/77/26/68/813772668.db2.gz LGWMNIOEAMITMN-RBUKOAKNSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001208607291 813772672 /nfs/dbraw/zinc/77/26/72/813772672.db2.gz LGWMNIOEAMITMN-RBUKOAKNSA-N 2 1 286.463 3.283 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cccs2)C1 ZINC001208610178 813773552 /nfs/dbraw/zinc/77/35/52/813773552.db2.gz ZKVVOQIPYADBFU-ZIAGYGMSSA-N 2 1 264.438 3.227 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cccs2)C1 ZINC001208610178 813773559 /nfs/dbraw/zinc/77/35/59/813773559.db2.gz ZKVVOQIPYADBFU-ZIAGYGMSSA-N 2 1 264.438 3.227 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC001208610178 813773562 /nfs/dbraw/zinc/77/35/62/813773562.db2.gz ZKVVOQIPYADBFU-ZIAGYGMSSA-N 2 1 264.438 3.227 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccs2)C1 ZINC001208610178 813773568 /nfs/dbraw/zinc/77/35/68/813773568.db2.gz ZKVVOQIPYADBFU-ZIAGYGMSSA-N 2 1 264.438 3.227 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C(C)(C)Cc1ccccc1 ZINC001208618290 813777469 /nfs/dbraw/zinc/77/74/69/813777469.db2.gz VKQCASNOOCBZBW-KRWDZBQOSA-N 2 1 274.452 3.281 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C(C)(C)Cc1ccccc1 ZINC001208618290 813777472 /nfs/dbraw/zinc/77/74/72/813777472.db2.gz VKQCASNOOCBZBW-KRWDZBQOSA-N 2 1 274.452 3.281 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C(C)(C)Cc1ccccc1 ZINC001208618290 813777476 /nfs/dbraw/zinc/77/74/76/813777476.db2.gz VKQCASNOOCBZBW-KRWDZBQOSA-N 2 1 274.452 3.281 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C(C)(C)Cc1ccccc1 ZINC001208618290 813777478 /nfs/dbraw/zinc/77/74/78/813777478.db2.gz VKQCASNOOCBZBW-KRWDZBQOSA-N 2 1 274.452 3.281 20 0 CGADMP C[C@@H](CC[N@H+](C)C1CC[NH+](C)CC1)CC(C)(C)C ZINC001208657304 813782178 /nfs/dbraw/zinc/78/21/78/813782178.db2.gz IKSWBODKFJLFHG-AWEZNQCLSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H](CC[N@@H+](C)C1CC[NH+](C)CC1)CC(C)(C)C ZINC001208657304 813782184 /nfs/dbraw/zinc/78/21/84/813782184.db2.gz IKSWBODKFJLFHG-AWEZNQCLSA-N 2 1 254.462 3.475 20 0 CGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659853 813783692 /nfs/dbraw/zinc/78/36/92/813783692.db2.gz LIGKKPJMEUZNFG-IXDOHACOSA-N 2 1 296.499 3.101 20 0 CGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659853 813783696 /nfs/dbraw/zinc/78/36/96/813783696.db2.gz LIGKKPJMEUZNFG-IXDOHACOSA-N 2 1 296.499 3.101 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659853 813783699 /nfs/dbraw/zinc/78/36/99/813783699.db2.gz LIGKKPJMEUZNFG-IXDOHACOSA-N 2 1 296.499 3.101 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659853 813783701 /nfs/dbraw/zinc/78/37/01/813783701.db2.gz LIGKKPJMEUZNFG-IXDOHACOSA-N 2 1 296.499 3.101 20 0 CGADMP CC[N@@H+]1C[C@H]2CN(CCCc3ccccc3Cl)C[C@H]2C1 ZINC001208873567 813877338 /nfs/dbraw/zinc/87/73/38/813877338.db2.gz GYJZQLZXGRJQPK-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](CCCc3ccccc3Cl)C[C@@H]2C1 ZINC001208873567 813877341 /nfs/dbraw/zinc/87/73/41/813877341.db2.gz GYJZQLZXGRJQPK-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCc3ccccc3Cl)C[C@@H]2C1 ZINC001208873567 813877348 /nfs/dbraw/zinc/87/73/48/813877348.db2.gz GYJZQLZXGRJQPK-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCc3ccccc3Cl)C[C@@H]2C1 ZINC001208873567 813877352 /nfs/dbraw/zinc/87/73/52/813877352.db2.gz GYJZQLZXGRJQPK-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CCCc3ccccc3Cl)C[C@@H]2C1 ZINC001208873567 813877362 /nfs/dbraw/zinc/87/73/62/813877362.db2.gz GYJZQLZXGRJQPK-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC34CC4)C2)cc1 ZINC001208947870 813905516 /nfs/dbraw/zinc/90/55/16/813905516.db2.gz MZEUCBHLFPKNTC-QGZVFWFLSA-N 2 1 270.420 3.137 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC34CC4)C2)cc1 ZINC001208947870 813905523 /nfs/dbraw/zinc/90/55/23/813905523.db2.gz MZEUCBHLFPKNTC-QGZVFWFLSA-N 2 1 270.420 3.137 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCCC34CC4)C2)cc1 ZINC001208947870 813905527 /nfs/dbraw/zinc/90/55/27/813905527.db2.gz MZEUCBHLFPKNTC-QGZVFWFLSA-N 2 1 270.420 3.137 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCCC34CC4)C2)cc1 ZINC001208947870 813905532 /nfs/dbraw/zinc/90/55/32/813905532.db2.gz MZEUCBHLFPKNTC-QGZVFWFLSA-N 2 1 270.420 3.137 20 0 CGADMP FCC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950561 813906798 /nfs/dbraw/zinc/90/67/98/813906798.db2.gz UKCRLQRPJVOGGG-GOSISDBHSA-N 2 1 290.426 3.190 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CCCc2ccncc2)CC1 ZINC001209192068 813961779 /nfs/dbraw/zinc/96/17/79/813961779.db2.gz VCVFSUGGEJTCEB-UHFFFAOYSA-N 2 1 289.467 3.211 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3c2cccc3C)CC1 ZINC001209489521 814058569 /nfs/dbraw/zinc/05/85/69/814058569.db2.gz IRWVHLJCKHYWBK-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3c2cccc3C)CC1 ZINC001209489521 814058572 /nfs/dbraw/zinc/05/85/72/814058572.db2.gz IRWVHLJCKHYWBK-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2cc(F)ccc12 ZINC001209692447 814112910 /nfs/dbraw/zinc/11/29/10/814112910.db2.gz MLPSOAUNGBTVDI-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2cc(F)ccc12 ZINC001209692447 814112913 /nfs/dbraw/zinc/11/29/13/814112913.db2.gz MLPSOAUNGBTVDI-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209730826 814125898 /nfs/dbraw/zinc/12/58/98/814125898.db2.gz KEBCCEJTAPTGTL-GOSISDBHSA-N 2 1 297.402 3.230 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209730826 814125901 /nfs/dbraw/zinc/12/59/01/814125901.db2.gz KEBCCEJTAPTGTL-GOSISDBHSA-N 2 1 297.402 3.230 20 0 CGADMP C[N@@H+]1CCc2ncc(Nc3ccc4c[nH+]ccc4c3)cc2C1 ZINC001210045670 814263619 /nfs/dbraw/zinc/26/36/19/814263619.db2.gz MOPFYXUTNLXZSP-UHFFFAOYSA-N 2 1 290.370 3.361 20 0 CGADMP C[N@H+]1CCc2ncc(Nc3ccc4c[nH+]ccc4c3)cc2C1 ZINC001210045670 814263623 /nfs/dbraw/zinc/26/36/23/814263623.db2.gz MOPFYXUTNLXZSP-UHFFFAOYSA-N 2 1 290.370 3.361 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210497779 814490048 /nfs/dbraw/zinc/49/00/48/814490048.db2.gz NUUFQWGPGPSFNO-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210497779 814490051 /nfs/dbraw/zinc/49/00/51/814490051.db2.gz NUUFQWGPGPSFNO-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP CC1=CC(=O)C[NH+]=C1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210705675 814589559 /nfs/dbraw/zinc/58/95/59/814589559.db2.gz WADDKMJFAJOASO-AWEZNQCLSA-N 2 1 273.380 3.040 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222230741 816380639 /nfs/dbraw/zinc/38/06/39/816380639.db2.gz CQBLSYKDQVFNAT-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)s1 ZINC001222242666 816384063 /nfs/dbraw/zinc/38/40/63/816384063.db2.gz GICYBJWHNALRFJ-OAHLLOKOSA-N 2 1 264.438 3.083 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)s1 ZINC001222242666 816384070 /nfs/dbraw/zinc/38/40/70/816384070.db2.gz GICYBJWHNALRFJ-OAHLLOKOSA-N 2 1 264.438 3.083 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001222264469 816391248 /nfs/dbraw/zinc/39/12/48/816391248.db2.gz AUEIYQYHRWEDHP-IBGZPJMESA-N 2 1 297.446 3.442 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222272352 816392226 /nfs/dbraw/zinc/39/22/26/816392226.db2.gz RPZDOYAVKDJKIK-QGZVFWFLSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222272352 816392235 /nfs/dbraw/zinc/39/22/35/816392235.db2.gz RPZDOYAVKDJKIK-QGZVFWFLSA-N 2 1 276.399 3.100 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222272332 816392506 /nfs/dbraw/zinc/39/25/06/816392506.db2.gz RGOSOUCSTSSCIU-SFHVURJKSA-N 2 1 272.436 3.215 20 0 CGADMP C[C@H](CC[N@@H+]1CCC[C@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001222283387 816394762 /nfs/dbraw/zinc/39/47/62/816394762.db2.gz XMUXHBCYNITPMB-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001222283387 816394771 /nfs/dbraw/zinc/39/47/71/816394771.db2.gz XMUXHBCYNITPMB-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP Cn1ccc2ccc(C[NH+]3CCC4(CCCC[NH2+]4)CC3)cc21 ZINC001222293517 816399822 /nfs/dbraw/zinc/39/98/22/816399822.db2.gz VHMFUTDVJNJFJV-UHFFFAOYSA-N 2 1 297.446 3.286 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222308693 816403341 /nfs/dbraw/zinc/40/33/41/816403341.db2.gz LOEJRFYNVRHONB-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)o1 ZINC001222309187 816403349 /nfs/dbraw/zinc/40/33/49/816403349.db2.gz MYDZBNBRUKPVCJ-QGZVFWFLSA-N 2 1 276.424 3.129 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222310858 816404909 /nfs/dbraw/zinc/40/49/09/816404909.db2.gz WTNNDAXTFYTDQV-QGZVFWFLSA-N 2 1 294.389 3.115 20 0 CGADMP c1c(C[N@H+]2CCC23CCCCC3)sc2c1CC[NH2+]C2 ZINC001222400579 816433676 /nfs/dbraw/zinc/43/36/76/816433676.db2.gz ADPWNAUQURKORV-UHFFFAOYSA-N 2 1 276.449 3.302 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC001222624286 816482488 /nfs/dbraw/zinc/48/24/88/816482488.db2.gz WNXIWJJYEFSHBJ-CALCHBBNSA-N 2 1 286.463 3.286 20 0 CGADMP c1c(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)[nH]c2cc[nH+]cc12 ZINC001232018847 818235550 /nfs/dbraw/zinc/23/55/50/818235550.db2.gz PGQNPSQDKHJHNH-GOSISDBHSA-N 2 1 299.418 3.344 20 0 CGADMP c1c(C[N@H+]2CCOC[C@@H]2C2CCCCC2)[nH]c2cc[nH+]cc12 ZINC001232018847 818235554 /nfs/dbraw/zinc/23/55/54/818235554.db2.gz PGQNPSQDKHJHNH-GOSISDBHSA-N 2 1 299.418 3.344 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC001232146552 818265024 /nfs/dbraw/zinc/26/50/24/818265024.db2.gz TWZHJVIDGPLSII-OAHLLOKOSA-N 2 1 298.352 3.118 20 0 CGADMP C[N@H+](Cc1cc2cccnc2s1)CC1CC[NH+](C)CC1 ZINC001233347938 818591603 /nfs/dbraw/zinc/59/16/03/818591603.db2.gz HOANDYHKWUKSME-UHFFFAOYSA-N 2 1 289.448 3.070 20 0 CGADMP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)sc1C ZINC001233646701 818668624 /nfs/dbraw/zinc/66/86/24/818668624.db2.gz SXOLNLBPCYFCQO-UHFFFAOYSA-N 2 1 278.465 3.425 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992146 818969399 /nfs/dbraw/zinc/96/93/99/818969399.db2.gz JCCIAZRAKWGQSP-HZPDHXFCSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(C)c1F ZINC001234992913 818969504 /nfs/dbraw/zinc/96/95/04/818969504.db2.gz NIEXMONFRABMFR-KRWDZBQOSA-N 2 1 276.399 3.018 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(C)c1F ZINC001234992913 818969507 /nfs/dbraw/zinc/96/95/07/818969507.db2.gz NIEXMONFRABMFR-KRWDZBQOSA-N 2 1 276.399 3.018 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001234978984 818970494 /nfs/dbraw/zinc/97/04/94/818970494.db2.gz MQCSRBRHUAZFQA-OIISXLGYSA-N 2 1 280.415 3.095 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024611 818980196 /nfs/dbraw/zinc/98/01/96/818980196.db2.gz OWVCAGRHAPHWAG-HNNXBMFYSA-N 2 1 250.430 3.054 20 0 CGADMP c1ccc(C(C[N@H+]2CCC3(C[NH2+]C3)C2)c2ccccc2)cc1 ZINC001235023932 818981295 /nfs/dbraw/zinc/98/12/95/818981295.db2.gz GPAPXZHDAMGQID-UHFFFAOYSA-N 2 1 292.426 3.114 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235030856 818983032 /nfs/dbraw/zinc/98/30/32/818983032.db2.gz GUHVGXQYHANHFC-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235030856 818983038 /nfs/dbraw/zinc/98/30/38/818983038.db2.gz GUHVGXQYHANHFC-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)o1 ZINC001235037115 818985978 /nfs/dbraw/zinc/98/59/78/818985978.db2.gz CHJZMMKWRVIXPR-KRWDZBQOSA-N 2 1 276.424 3.129 20 0 CGADMP Clc1ccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235036962 818986327 /nfs/dbraw/zinc/98/63/27/818986327.db2.gz AMSTWDBMLYPVSZ-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235041414 818988221 /nfs/dbraw/zinc/98/82/21/818988221.db2.gz PYKUEHLOMRPXMK-SFHVURJKSA-N 2 1 288.435 3.193 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)cc21 ZINC001235042955 818989606 /nfs/dbraw/zinc/98/96/06/818989606.db2.gz DCKUVDCLGBHNEP-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1C ZINC001235047786 818991434 /nfs/dbraw/zinc/99/14/34/818991434.db2.gz WLGACUHUVRABFJ-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP Clc1ccc(CCC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235124307 819012372 /nfs/dbraw/zinc/01/23/72/819012372.db2.gz MEXYEEMFFBOSBP-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235124307 819012378 /nfs/dbraw/zinc/01/23/78/819012378.db2.gz MEXYEEMFFBOSBP-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1sccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235159852 819019390 /nfs/dbraw/zinc/01/93/90/819019390.db2.gz WVWDIPWFVPXJOD-MRXNPFEDSA-N 2 1 278.465 3.411 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)o1 ZINC001235160647 819019538 /nfs/dbraw/zinc/01/95/38/819019538.db2.gz YDMUMUMQGWRPCT-QGZVFWFLSA-N 2 1 276.424 3.196 20 0 CGADMP CCc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235171332 819022786 /nfs/dbraw/zinc/02/27/86/819022786.db2.gz IYVDONASCJDBFI-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235171332 819022792 /nfs/dbraw/zinc/02/27/92/819022792.db2.gz IYVDONASCJDBFI-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP Fc1ccc(CCC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235169513 819023219 /nfs/dbraw/zinc/02/32/19/819023219.db2.gz BHXPKAORHMWSAQ-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235169513 819023223 /nfs/dbraw/zinc/02/32/23/819023223.db2.gz BHXPKAORHMWSAQ-SFHVURJKSA-N 2 1 290.426 3.366 20 0 CGADMP C1=CC2(CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c2ccccc21 ZINC001235187248 819028162 /nfs/dbraw/zinc/02/81/62/819028162.db2.gz UPJLZJWXGMOVBB-QGZVFWFLSA-N 2 1 282.431 3.189 20 0 CGADMP c1ccc(C(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2)cc1 ZINC001235186493 819028192 /nfs/dbraw/zinc/02/81/92/819028192.db2.gz XPTXVTVVXPWZHN-AZUAARDMSA-N 2 1 292.426 3.112 20 0 CGADMP c1ccc(C(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2)cc1 ZINC001235186493 819028194 /nfs/dbraw/zinc/02/81/94/819028194.db2.gz XPTXVTVVXPWZHN-AZUAARDMSA-N 2 1 292.426 3.112 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190575 819030714 /nfs/dbraw/zinc/03/07/14/819030714.db2.gz WIURGYJCKDIQNL-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CCCC2)cc1 ZINC001235256291 819053023 /nfs/dbraw/zinc/05/30/23/819053023.db2.gz RJSLHWFGDFOIOR-WMZOPIPTSA-N 2 1 284.447 3.182 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)n1 ZINC001235262928 819055823 /nfs/dbraw/zinc/05/58/23/819055823.db2.gz GSWQYJYZAXFUFV-GOSISDBHSA-N 2 1 297.402 3.082 20 0 CGADMP CCc1cccc(CN2CCC[C@@H](Oc3ccncc3)C2)n1 ZINC001235262928 819055829 /nfs/dbraw/zinc/05/58/29/819055829.db2.gz GSWQYJYZAXFUFV-GOSISDBHSA-N 2 1 297.402 3.082 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001235266895 819056887 /nfs/dbraw/zinc/05/68/87/819056887.db2.gz HGWYXXVLYOWYLK-IEBWSBKVSA-N 2 1 286.463 3.413 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235340704 819071627 /nfs/dbraw/zinc/07/16/27/819071627.db2.gz LFLHKQCRDLMTTH-QGZVFWFLSA-N 2 1 292.426 3.395 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340073 819072114 /nfs/dbraw/zinc/07/21/14/819072114.db2.gz HHJPCTTYQRFUGM-CYBMUJFWSA-N 2 1 286.444 3.251 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2[nH]1 ZINC001235421913 819091589 /nfs/dbraw/zinc/09/15/89/819091589.db2.gz CNTDOAJLOUETGB-DLBZAZTESA-N 2 1 297.446 3.380 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c1)CCC2 ZINC001235430118 819094675 /nfs/dbraw/zinc/09/46/75/819094675.db2.gz FBOFZZSTBIOIDF-QZTJIDSGSA-N 2 1 298.474 3.387 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+](C)CCC[NH3+] ZINC001235435545 819097749 /nfs/dbraw/zinc/09/77/49/819097749.db2.gz ONEJWDGJKLLKLT-UHFFFAOYSA-N 2 1 261.196 3.082 20 0 CGADMP CCCCOc1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235434039 819098275 /nfs/dbraw/zinc/09/82/75/819098275.db2.gz YMBSKCADTCTKSB-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2cccs2)s1 ZINC001235435712 819099430 /nfs/dbraw/zinc/09/94/30/819099430.db2.gz VJOWXYFFQWTLBG-UHFFFAOYSA-N 2 1 266.435 3.257 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235435804 819100379 /nfs/dbraw/zinc/10/03/79/819100379.db2.gz ZIWAXTBURFMUMF-UHFFFAOYSA-N 2 1 266.388 3.038 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001235673246 819133659 /nfs/dbraw/zinc/13/36/59/819133659.db2.gz NBICXFRLEGWUSH-QGZVFWFLSA-N 2 1 260.425 3.070 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2COC(C)(C)[NH2+]2)cc1 ZINC001235677824 819138793 /nfs/dbraw/zinc/13/87/93/819138793.db2.gz JCAKKTHWGNPBQJ-DLBZAZTESA-N 2 1 288.435 3.247 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@H]2COC(C)(C)[NH2+]2)cc1 ZINC001235677824 819138796 /nfs/dbraw/zinc/13/87/96/819138796.db2.gz JCAKKTHWGNPBQJ-DLBZAZTESA-N 2 1 288.435 3.247 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235679857 819139891 /nfs/dbraw/zinc/13/98/91/819139891.db2.gz RPMSQSBLTVMNJV-SJLPKXTDSA-N 2 1 288.435 3.364 20 0 CGADMP CCC[C@@H]1CCCC[N@@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235693820 819143461 /nfs/dbraw/zinc/14/34/61/819143461.db2.gz HNOGTWXCBREQLU-MJBXVCDLSA-N 2 1 274.399 3.132 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235693820 819143462 /nfs/dbraw/zinc/14/34/62/819143462.db2.gz HNOGTWXCBREQLU-MJBXVCDLSA-N 2 1 274.399 3.132 20 0 CGADMP c1ccc([C@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)nc1 ZINC001235705666 819147036 /nfs/dbraw/zinc/14/70/36/819147036.db2.gz MUFUJBDHEXMFDQ-INIZCTEOSA-N 2 1 287.451 3.183 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235718357 819151938 /nfs/dbraw/zinc/15/19/38/819151938.db2.gz ZWXXZQSMZJHTMV-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001235788603 819167715 /nfs/dbraw/zinc/16/77/15/819167715.db2.gz JPBQMAVRMFGUBK-UHFFFAOYSA-N 2 1 294.442 3.461 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)CC1(C)CC[NH2+]CC1 ZINC001235839773 819182585 /nfs/dbraw/zinc/18/25/85/819182585.db2.gz XUOCAQNTGLEJPZ-UHFFFAOYSA-N 2 1 280.843 3.204 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001235868121 819189600 /nfs/dbraw/zinc/18/96/00/819189600.db2.gz UHMWOQBLZBYDPG-TUVASFSCSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001235868121 819189602 /nfs/dbraw/zinc/18/96/02/819189602.db2.gz UHMWOQBLZBYDPG-TUVASFSCSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001235868121 819189605 /nfs/dbraw/zinc/18/96/05/819189605.db2.gz UHMWOQBLZBYDPG-TUVASFSCSA-N 2 1 286.410 3.132 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001235925131 819223854 /nfs/dbraw/zinc/22/38/54/819223854.db2.gz CCMXAXDEDQREAZ-AWEZNQCLSA-N 2 1 272.367 3.292 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001235926342 819226158 /nfs/dbraw/zinc/22/61/58/819226158.db2.gz ZJIBPBNOPHCLPU-AWEZNQCLSA-N 2 1 262.372 3.016 20 0 CGADMP c1ccc(C2(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CCCC2)cc1 ZINC001235930247 819227263 /nfs/dbraw/zinc/22/72/63/819227263.db2.gz VFUGRVICHXIMJK-DLBZAZTESA-N 2 1 284.447 3.040 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930293 819228168 /nfs/dbraw/zinc/22/81/68/819228168.db2.gz VSZGTUAKABOKDF-HOTGVXAUSA-N 2 1 272.436 3.025 20 0 CGADMP c1cc(-c2cccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c2)cs1 ZINC001235934650 819230940 /nfs/dbraw/zinc/23/09/40/819230940.db2.gz CHIFJVWHGCDSKT-AEFFLSMTSA-N 2 1 298.455 3.456 20 0 CGADMP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235942858 819234548 /nfs/dbraw/zinc/23/45/48/819234548.db2.gz YHKIQNIWMOUQKY-UKRRQHHQSA-N 2 1 284.378 3.020 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(C)c1Cl ZINC001235958037 819245787 /nfs/dbraw/zinc/24/57/87/819245787.db2.gz CJUKSHOFLJWNLU-MIFYACCESA-N 2 1 278.827 3.126 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(C)c1Cl ZINC001235958037 819245794 /nfs/dbraw/zinc/24/57/94/819245794.db2.gz CJUKSHOFLJWNLU-MIFYACCESA-N 2 1 278.827 3.126 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCCCc1ccccc1)C2 ZINC001235958299 819245854 /nfs/dbraw/zinc/24/58/54/819245854.db2.gz DBYDRIXCKJRMAP-BCDXTJNWSA-N 2 1 272.436 3.069 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001235958515 819246362 /nfs/dbraw/zinc/24/63/62/819246362.db2.gz GUEXVKAYRFIRJZ-AEKWLRTRSA-N 2 1 290.838 3.113 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001235958516 819246463 /nfs/dbraw/zinc/24/64/63/819246463.db2.gz GUEXVKAYRFIRJZ-AUOOEQCUSA-N 2 1 290.838 3.113 20 0 CGADMP C[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)CC1CCCCC1 ZINC001235960397 819249888 /nfs/dbraw/zinc/24/98/88/819249888.db2.gz KVTKKSDKZMKTLR-UHFFFAOYSA-N 2 1 272.436 3.344 20 0 CGADMP CC[N@@H+](CCCC[NH3+])Cc1ccc(Br)cc1 ZINC001235962610 819251325 /nfs/dbraw/zinc/25/13/25/819251325.db2.gz NZBLEWNPIMGNSG-UHFFFAOYSA-N 2 1 285.229 3.010 20 0 CGADMP c1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235974551 819255047 /nfs/dbraw/zinc/25/50/47/819255047.db2.gz OFCQWDKYAIIPEO-UHFFFAOYSA-N 2 1 292.426 3.324 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236044976 819281894 /nfs/dbraw/zinc/28/18/94/819281894.db2.gz QVGUGYXDLJKLSG-AEFFLSMTSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236044976 819281901 /nfs/dbraw/zinc/28/19/01/819281901.db2.gz QVGUGYXDLJKLSG-AEFFLSMTSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001236059816 819293947 /nfs/dbraw/zinc/29/39/47/819293947.db2.gz MFASBAPEFMYSIP-MRXNPFEDSA-N 2 1 276.399 3.088 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001236072114 819301099 /nfs/dbraw/zinc/30/10/99/819301099.db2.gz OAKMFKJBSUFXDD-CQSZACIVSA-N 2 1 266.388 3.092 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236113341 819326137 /nfs/dbraw/zinc/32/61/37/819326137.db2.gz SDUFOIKXRXWAQE-GOSISDBHSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@@H+](Cc1c(C)[nH]c2ccccc21)C1CC[NH2+]CC1 ZINC001236180243 819358287 /nfs/dbraw/zinc/35/82/87/819358287.db2.gz DLGHZQYBPFNRME-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP C[N@H+](Cc1cccc2occc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217226 819382006 /nfs/dbraw/zinc/38/20/06/819382006.db2.gz OFZCKXWBYQGXOG-CABCVRRESA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1cccc2occc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217226 819382010 /nfs/dbraw/zinc/38/20/10/819382010.db2.gz OFZCKXWBYQGXOG-CABCVRRESA-N 2 1 258.365 3.135 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236216859 819382218 /nfs/dbraw/zinc/38/22/18/819382218.db2.gz LLZUYEOWRXUZPH-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236216859 819382223 /nfs/dbraw/zinc/38/22/23/819382223.db2.gz LLZUYEOWRXUZPH-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236218355 819383481 /nfs/dbraw/zinc/38/34/81/819383481.db2.gz SHUCESRNCYUETQ-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236218355 819383485 /nfs/dbraw/zinc/38/34/85/819383485.db2.gz SHUCESRNCYUETQ-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP C[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218075 819384578 /nfs/dbraw/zinc/38/45/78/819384578.db2.gz RIRXAVFFSWVGFX-LSDHHAIUSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218075 819384583 /nfs/dbraw/zinc/38/45/83/819384583.db2.gz RIRXAVFFSWVGFX-LSDHHAIUSA-N 2 1 275.371 3.009 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(C)c1F ZINC001236220026 819385605 /nfs/dbraw/zinc/38/56/05/819385605.db2.gz YCUHKBUIXKYYLJ-LSDHHAIUSA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(C)c1F ZINC001236220026 819385611 /nfs/dbraw/zinc/38/56/11/819385611.db2.gz YCUHKBUIXKYYLJ-LSDHHAIUSA-N 2 1 264.388 3.144 20 0 CGADMP C[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219690 819385951 /nfs/dbraw/zinc/38/59/51/819385951.db2.gz XMTCTSUSZRINTN-RBUKOAKNSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219690 819385958 /nfs/dbraw/zinc/38/59/58/819385958.db2.gz XMTCTSUSZRINTN-RBUKOAKNSA-N 2 1 295.430 3.450 20 0 CGADMP Cc1nc2cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])ccc2s1 ZINC001236218961 819386716 /nfs/dbraw/zinc/38/67/16/819386716.db2.gz TZHQNPBXFIJNSL-DZGCQCFKSA-N 2 1 289.448 3.306 20 0 CGADMP Cc1nc2cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])ccc2s1 ZINC001236218961 819386720 /nfs/dbraw/zinc/38/67/20/819386720.db2.gz TZHQNPBXFIJNSL-DZGCQCFKSA-N 2 1 289.448 3.306 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)C1(C)CC[NH2+]CC1 ZINC001236222644 819389964 /nfs/dbraw/zinc/38/99/64/819389964.db2.gz JYRVHQGOMLFMDV-UHFFFAOYSA-N 2 1 268.404 3.414 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236224747 819390941 /nfs/dbraw/zinc/39/09/41/819390941.db2.gz WCNURIWTPWBIIY-QAQDUYKDSA-N 2 1 290.451 3.484 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285221 819413167 /nfs/dbraw/zinc/41/31/67/819413167.db2.gz CRKJJPMIMIULNG-OTWHNJEPSA-N 2 1 296.458 3.453 20 0 CGADMP Clc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314992 819420783 /nfs/dbraw/zinc/42/07/83/819420783.db2.gz UFKVBQNXJWZKPC-BETUJISGSA-N 2 1 299.245 3.425 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCCC2(CCC2)C1 ZINC001236322804 819424193 /nfs/dbraw/zinc/42/41/93/819424193.db2.gz UGHZGHHMBSAEOE-UHFFFAOYSA-N 2 1 262.441 3.032 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322223 819424546 /nfs/dbraw/zinc/42/45/46/819424546.db2.gz UDQNEIRAUCPRJQ-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236320709 819424893 /nfs/dbraw/zinc/42/48/93/819424893.db2.gz BSHLROUEANBZDW-KDURUIRLSA-N 2 1 286.463 3.317 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC001236374800 819443036 /nfs/dbraw/zinc/44/30/36/819443036.db2.gz UEYNGEBKWIJMKC-HNNXBMFYSA-N 2 1 276.424 3.332 20 0 CGADMP CC[N@@H+](CCCc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236408303 819456323 /nfs/dbraw/zinc/45/63/23/819456323.db2.gz NASZKJDPKBGCDB-CQSZACIVSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410019 819457961 /nfs/dbraw/zinc/45/79/61/819457961.db2.gz CEYMLGROYIFFLD-DZFIZOCASA-N 2 1 296.389 3.142 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410019 819457964 /nfs/dbraw/zinc/45/79/64/819457964.db2.gz CEYMLGROYIFFLD-DZFIZOCASA-N 2 1 296.389 3.142 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410795 819457997 /nfs/dbraw/zinc/45/79/97/819457997.db2.gz DPSXHBQQLSPRCF-PMOLBWCYSA-N 2 1 292.426 3.312 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001236417164 819463490 /nfs/dbraw/zinc/46/34/90/819463490.db2.gz XLQSQEGQCRXRHL-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001236417164 819463493 /nfs/dbraw/zinc/46/34/93/819463493.db2.gz XLQSQEGQCRXRHL-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP CCCC[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236500209 819505829 /nfs/dbraw/zinc/50/58/29/819505829.db2.gz YTSBBNYFEXHJRS-UHFFFAOYSA-N 2 1 282.378 3.319 20 0 CGADMP Fc1ccccc1CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584762 819545588 /nfs/dbraw/zinc/54/55/88/819545588.db2.gz SSBCTGGRMHTZTI-HNNXBMFYSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)[nH]1 ZINC001236597843 819548987 /nfs/dbraw/zinc/54/89/87/819548987.db2.gz GBAAHUVTDDUTON-CQSZACIVSA-N 2 1 289.467 3.276 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)[nH]1 ZINC001236597843 819548991 /nfs/dbraw/zinc/54/89/91/819548991.db2.gz GBAAHUVTDDUTON-CQSZACIVSA-N 2 1 289.467 3.276 20 0 CGADMP CCC[N@@H+](CCc1ccc(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236827343 819609341 /nfs/dbraw/zinc/60/93/41/819609341.db2.gz FXZWUKGGUHSYDY-ZDUSSCGKSA-N 2 1 298.833 3.343 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC001236829385 819610112 /nfs/dbraw/zinc/61/01/12/819610112.db2.gz KEUBVXZLORHYQD-WHOFXGATSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C)c1Cl ZINC001236833120 819611038 /nfs/dbraw/zinc/61/10/38/819611038.db2.gz YRVFXNHVNRPJRL-RRFJBIMHSA-N 2 1 278.827 3.126 20 0 CGADMP CCC[N@@H+](C[C@@H](C)c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236830049 819611728 /nfs/dbraw/zinc/61/17/28/819611728.db2.gz MOUPCDJHLJYMLK-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP CCC[N@H+](Cc1ccc(C(C)(C)C)[nH]1)C[C@H]1CC[NH2+]C1 ZINC001236834852 819615433 /nfs/dbraw/zinc/61/54/33/819615433.db2.gz JASWIOBEKIXTDA-AWEZNQCLSA-N 2 1 277.456 3.134 20 0 CGADMP CCC[N@H+](Cc1cc(C)cc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842340 819618218 /nfs/dbraw/zinc/61/82/18/819618218.db2.gz FESVAQVMFFGEBC-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c(F)c1C)C[C@H]1CC[NH2+]C1 ZINC001236843527 819618463 /nfs/dbraw/zinc/61/84/63/819618463.db2.gz PJMTWRBKKSVZBP-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c(OCC)c1)C[C@H]1CC[NH2+]C1 ZINC001236842346 819618602 /nfs/dbraw/zinc/61/86/02/819618602.db2.gz FHLCAKHWSZAHBV-HNNXBMFYSA-N 2 1 294.414 3.046 20 0 CGADMP CCC(CC)[N@@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236888735 819630642 /nfs/dbraw/zinc/63/06/42/819630642.db2.gz GOTSGRBHEABGGV-UHFFFAOYSA-N 2 1 289.467 3.059 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001237079861 819661826 /nfs/dbraw/zinc/66/18/26/819661826.db2.gz CPEHVWIMUTVVME-SFHVURJKSA-N 2 1 268.404 3.352 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083159 819663970 /nfs/dbraw/zinc/66/39/70/819663970.db2.gz WKCZKZSSMVDFME-LJQANCHMSA-N 2 1 298.430 3.409 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154111 819681269 /nfs/dbraw/zinc/68/12/69/819681269.db2.gz JJJHQZOWSMVZAC-GOSISDBHSA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2c(c1)cccc2C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154111 819681272 /nfs/dbraw/zinc/68/12/72/819681272.db2.gz JJJHQZOWSMVZAC-GOSISDBHSA-N 2 1 295.430 3.341 20 0 CGADMP C[C@@H]1C[C@H](N)C[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001237204642 819697279 /nfs/dbraw/zinc/69/72/79/819697279.db2.gz QZPLLXBHFXBJGK-PWSUYJOCSA-N 2 1 287.234 3.348 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001237204642 819697283 /nfs/dbraw/zinc/69/72/83/819697283.db2.gz QZPLLXBHFXBJGK-PWSUYJOCSA-N 2 1 287.234 3.348 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001237204642 819697286 /nfs/dbraw/zinc/69/72/86/819697286.db2.gz QZPLLXBHFXBJGK-PWSUYJOCSA-N 2 1 287.234 3.348 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3c(C)cc(Cl)cc3C)C[C@@H]2C1 ZINC001237351978 819733915 /nfs/dbraw/zinc/73/39/15/819733915.db2.gz CWFMYMWDUDKNJR-GJZGRUSLSA-N 2 1 292.854 3.340 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237380111 819737525 /nfs/dbraw/zinc/73/75/25/819737525.db2.gz FJCZSTDLYBTQKI-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237380111 819737531 /nfs/dbraw/zinc/73/75/31/819737531.db2.gz FJCZSTDLYBTQKI-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2o1 ZINC001237389481 819741990 /nfs/dbraw/zinc/74/19/90/819741990.db2.gz GLACWDUFOIDLJP-JKSUJKDBSA-N 2 1 270.376 3.007 20 0 CGADMP c1cc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2o1 ZINC001237389481 819741994 /nfs/dbraw/zinc/74/19/94/819741994.db2.gz GLACWDUFOIDLJP-JKSUJKDBSA-N 2 1 270.376 3.007 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2o1 ZINC001237389478 819742597 /nfs/dbraw/zinc/74/25/97/819742597.db2.gz GLACWDUFOIDLJP-HZPDHXFCSA-N 2 1 270.376 3.007 20 0 CGADMP c1cc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2o1 ZINC001237389478 819742602 /nfs/dbraw/zinc/74/26/02/819742602.db2.gz GLACWDUFOIDLJP-HZPDHXFCSA-N 2 1 270.376 3.007 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237411289 819746924 /nfs/dbraw/zinc/74/69/24/819746924.db2.gz FFESNUYJZOOAAU-GOEBONIOSA-N 2 1 270.376 3.007 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414088 819747066 /nfs/dbraw/zinc/74/70/66/819747066.db2.gz LQJCXGPKOGXUFD-ZWKOTPCHSA-N 2 1 272.436 3.384 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2occc21 ZINC001237418347 819749060 /nfs/dbraw/zinc/74/90/60/819749060.db2.gz YDZYPNNMZXPCSN-WBMJQRKESA-N 2 1 288.366 3.146 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2occc21 ZINC001237418347 819749065 /nfs/dbraw/zinc/74/90/65/819749065.db2.gz YDZYPNNMZXPCSN-WBMJQRKESA-N 2 1 288.366 3.146 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237416655 819749266 /nfs/dbraw/zinc/74/92/66/819749266.db2.gz SCBCUYGINFPSHL-GOEBONIOSA-N 2 1 290.476 3.373 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237416655 819749271 /nfs/dbraw/zinc/74/92/71/819749271.db2.gz SCBCUYGINFPSHL-GOEBONIOSA-N 2 1 290.476 3.373 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001237460077 819756435 /nfs/dbraw/zinc/75/64/35/819756435.db2.gz HCTXBQDRGRYKFR-QZTJIDSGSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001237460077 819756440 /nfs/dbraw/zinc/75/64/40/819756440.db2.gz HCTXBQDRGRYKFR-QZTJIDSGSA-N 2 1 272.436 3.194 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238687156 820082124 /nfs/dbraw/zinc/08/21/24/820082124.db2.gz BNGSTZJYDGDPGX-IYBDPMFKSA-N 2 1 290.476 3.100 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238687156 820082131 /nfs/dbraw/zinc/08/21/31/820082131.db2.gz BNGSTZJYDGDPGX-IYBDPMFKSA-N 2 1 290.476 3.100 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238687156 820082140 /nfs/dbraw/zinc/08/21/40/820082140.db2.gz BNGSTZJYDGDPGX-IYBDPMFKSA-N 2 1 290.476 3.100 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238687156 820082146 /nfs/dbraw/zinc/08/21/46/820082146.db2.gz BNGSTZJYDGDPGX-IYBDPMFKSA-N 2 1 290.476 3.100 20 0 CGADMP CCOc1ccc(C)c(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001238714304 820096898 /nfs/dbraw/zinc/09/68/98/820096898.db2.gz BQKPZQVQOJIOLY-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001238714304 820096909 /nfs/dbraw/zinc/09/69/09/820096909.db2.gz BQKPZQVQOJIOLY-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP COc1cc(C)[nH+]cc1-c1ccccc1C[NH+](C)C ZINC001239684038 820520422 /nfs/dbraw/zinc/52/04/22/820520422.db2.gz NSAIKLNRGGSZNG-UHFFFAOYSA-N 2 1 256.349 3.127 20 0 CGADMP C[N@H+]1CCc2c(F)cc(-c3ccc4c(c3)CC[NH2+]C4)cc2C1 ZINC001240457658 821070565 /nfs/dbraw/zinc/07/05/65/821070565.db2.gz ANOHOLYNODVRRO-UHFFFAOYSA-N 2 1 296.389 3.126 20 0 CGADMP C[C@H]([NH3+])c1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001241507707 821907357 /nfs/dbraw/zinc/90/73/57/821907357.db2.gz NGYPCHVGKOASIN-HNNXBMFYSA-N 2 1 293.414 3.391 20 0 CGADMP C[N@H+]1CCC=C(c2cccc(C[NH+]3CCCC3)c2)C1 ZINC001241569739 821955186 /nfs/dbraw/zinc/95/51/86/821955186.db2.gz OAOFVHOFWXUFTN-UHFFFAOYSA-N 2 1 256.393 3.001 20 0 CGADMP C[C@@H]([NH3+])c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001241995610 822265024 /nfs/dbraw/zinc/26/50/24/822265024.db2.gz QXSXHSIKVVNLTQ-OAHLLOKOSA-N 2 1 296.414 3.206 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001242085093 822341341 /nfs/dbraw/zinc/34/13/41/822341341.db2.gz IINFJQAYWBXYSW-UHFFFAOYSA-N 2 1 267.376 3.235 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001242090980 822347753 /nfs/dbraw/zinc/34/77/53/822347753.db2.gz ZNCWRFANMYACNI-OAHLLOKOSA-N 2 1 267.376 3.106 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC001345075949 936800490 /nfs/dbraw/zinc/80/04/90/936800490.db2.gz AXYKEWDVXCYBLR-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc3ccccc3[nH]2)CC1(C)C ZINC001351331623 937014788 /nfs/dbraw/zinc/01/47/88/937014788.db2.gz YBSCYJSJZMFFFU-INIZCTEOSA-N 2 1 285.435 3.173 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001354019882 937086466 /nfs/dbraw/zinc/08/64/66/937086466.db2.gz XIAVOVSAYFWVSL-HOTGVXAUSA-N 2 1 273.424 3.172 20 0 CGADMP C(C[NH+]1CCCC12CCC2)OCC[N@H+]1CCCC12CCC2 ZINC000444779726 927613705 /nfs/dbraw/zinc/61/37/05/927613705.db2.gz LGQCFUASBIZPBL-UHFFFAOYSA-N 2 1 292.467 3.040 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)CC(C)(C)C ZINC001459949128 928726779 /nfs/dbraw/zinc/72/67/79/928726779.db2.gz DXRYTIKYDBIMPJ-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC001462100881 928775264 /nfs/dbraw/zinc/77/52/64/928775264.db2.gz SVPNDXWHBMUWAT-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001474139556 937841776 /nfs/dbraw/zinc/84/17/76/937841776.db2.gz LZMMYGZIAOSLPN-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001474139556 937841778 /nfs/dbraw/zinc/84/17/78/937841778.db2.gz LZMMYGZIAOSLPN-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCCc2scnc2C)CC1 ZINC001460577186 937535208 /nfs/dbraw/zinc/53/52/08/937535208.db2.gz KETNDQMZNVRFSY-UHFFFAOYSA-N 2 1 295.496 3.190 20 0 CGADMP C[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C(C)(C)C ZINC001460710909 937541047 /nfs/dbraw/zinc/54/10/47/937541047.db2.gz QJWXKIOORBNAJA-HUUCEWRRSA-N 2 1 275.440 3.274 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)cn1 ZINC001461071443 937562458 /nfs/dbraw/zinc/56/24/58/937562458.db2.gz GNJCPHKODLODSU-WMLDXEAASA-N 2 1 298.434 3.492 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001461144248 937566343 /nfs/dbraw/zinc/56/63/43/937566343.db2.gz VMJCTZYYESARGN-JYJNAYRXSA-N 2 1 252.446 3.299 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001461144248 937566346 /nfs/dbraw/zinc/56/63/46/937566346.db2.gz VMJCTZYYESARGN-JYJNAYRXSA-N 2 1 252.446 3.299 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001461181107 937567983 /nfs/dbraw/zinc/56/79/83/937567983.db2.gz ZJOYIZIEWRCICF-XMTFNYHQSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001461181107 937567986 /nfs/dbraw/zinc/56/79/86/937567986.db2.gz ZJOYIZIEWRCICF-XMTFNYHQSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1)[NH+](C)C ZINC001229625914 932179813 /nfs/dbraw/zinc/17/98/13/932179813.db2.gz IYJNLDKWVQEKCO-KMANFZQXSA-N 2 1 288.435 3.313 20 0 CGADMP CC(C)C[C@@H](C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001307498159 932961530 /nfs/dbraw/zinc/96/15/30/932961530.db2.gz GLFPUSRTSZICMW-HZPDHXFCSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[C@@H](C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001307498159 932961533 /nfs/dbraw/zinc/96/15/33/932961533.db2.gz GLFPUSRTSZICMW-HZPDHXFCSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[C@@H](C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001307498159 932961539 /nfs/dbraw/zinc/96/15/39/932961539.db2.gz GLFPUSRTSZICMW-HZPDHXFCSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001308039560 933038472 /nfs/dbraw/zinc/03/84/72/933038472.db2.gz GBGCNERMGFXYON-CQSZACIVSA-N 2 1 261.413 3.028 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC001308224837 933076319 /nfs/dbraw/zinc/07/63/19/933076319.db2.gz LMCUNFYJJVELRZ-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC001462639906 937655841 /nfs/dbraw/zinc/65/58/41/937655841.db2.gz YBRWNTQUWZPIGM-SREVYHEPSA-N 2 1 296.405 3.498 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC001462639906 937655843 /nfs/dbraw/zinc/65/58/43/937655843.db2.gz YBRWNTQUWZPIGM-SREVYHEPSA-N 2 1 296.405 3.498 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4c3CCC4)C2)CC1 ZINC001308744005 933168577 /nfs/dbraw/zinc/16/85/77/933168577.db2.gz OXECISYHQXRVIV-GOSISDBHSA-N 2 1 298.474 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+]C1CC(OC)C1)c1ccccc1 ZINC001308982424 933221239 /nfs/dbraw/zinc/22/12/39/933221239.db2.gz TYBPMKQHVAKAOX-ABHNRTSZSA-N 2 1 290.451 3.227 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001319753556 933926488 /nfs/dbraw/zinc/92/64/88/933926488.db2.gz DKFQSSRYYCOLFY-QAPCUYQASA-N 2 1 295.430 3.464 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2ccc(OC(C)(C)C)cc2)CC1 ZINC001320578399 934069695 /nfs/dbraw/zinc/06/96/95/934069695.db2.gz VWYTVCHYLRZEGJ-UHFFFAOYSA-N 2 1 290.451 3.090 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCC[C@H]1[NH+](C)C)c1ccccc1 ZINC001320901639 934121258 /nfs/dbraw/zinc/12/12/58/934121258.db2.gz XNOWFYHBVSFHBG-HYVNUMGLSA-N 2 1 260.425 3.253 20 0 CGADMP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001321323382 934175167 /nfs/dbraw/zinc/17/51/67/934175167.db2.gz PNIPJZJIHRGVFP-SFHVURJKSA-N 2 1 272.436 3.480 20 0 CGADMP CC[N@H+]1CCN(c2c(C)c[nH+]c3ccccc32)C[C@H]1C ZINC001322967011 934353151 /nfs/dbraw/zinc/35/31/51/934353151.db2.gz SNECFJNGAMLKET-CQSZACIVSA-N 2 1 269.392 3.074 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2F)C[C@@H]1C ZINC001323697960 934418631 /nfs/dbraw/zinc/41/86/31/934418631.db2.gz OYZQPEKGBWQVRQ-XJKSGUPXSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)cc2F)C[C@@H]1C ZINC001323697960 934418636 /nfs/dbraw/zinc/41/86/36/934418636.db2.gz OYZQPEKGBWQVRQ-XJKSGUPXSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)cc2F)C[C@@H]1C ZINC001323697960 934418641 /nfs/dbraw/zinc/41/86/41/934418641.db2.gz OYZQPEKGBWQVRQ-XJKSGUPXSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2F)C1 ZINC001323977614 934444104 /nfs/dbraw/zinc/44/41/04/934444104.db2.gz PCVOZUAJQHPZIK-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2F)C1 ZINC001323977614 934444108 /nfs/dbraw/zinc/44/41/08/934444108.db2.gz PCVOZUAJQHPZIK-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2cccc(F)c2F)C1 ZINC001324929563 934874603 /nfs/dbraw/zinc/87/46/03/934874603.db2.gz VTGHRWOVEYKSLQ-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/C1CC1 ZINC001324969585 934877556 /nfs/dbraw/zinc/87/75/56/934877556.db2.gz RZGOJRNYEJQXGK-HXSXWYSASA-N 2 1 284.447 3.453 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC001326034911 934946092 /nfs/dbraw/zinc/94/60/92/934946092.db2.gz BEKBNOXCFUDOLI-MFKMUULPSA-N 2 1 284.856 3.465 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC001326034910 934946364 /nfs/dbraw/zinc/94/63/64/934946364.db2.gz BEKBNOXCFUDOLI-GXFFZTMASA-N 2 1 284.856 3.465 20 0 CGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC001326715402 935000331 /nfs/dbraw/zinc/00/03/31/935000331.db2.gz BXSNFSCWZXXCSB-INIZCTEOSA-N 2 1 275.371 3.233 20 0 CGADMP CC(C)(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001327006425 935021391 /nfs/dbraw/zinc/02/13/91/935021391.db2.gz YLDFLDMSJQIZDL-UHFFFAOYSA-N 2 1 286.463 3.430 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCc1ccc(F)cc1F ZINC001329848431 935248652 /nfs/dbraw/zinc/24/86/52/935248652.db2.gz HXKIUNLXJLJKFT-ZDUSSCGKSA-N 2 1 284.394 3.217 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCc1ccc(F)cc1F ZINC001329848431 935248658 /nfs/dbraw/zinc/24/86/58/935248658.db2.gz HXKIUNLXJLJKFT-ZDUSSCGKSA-N 2 1 284.394 3.217 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC001330015958 935261235 /nfs/dbraw/zinc/26/12/35/935261235.db2.gz KCKQXPWIODBORG-JKSUJKDBSA-N 2 1 298.833 3.484 20 0 CGADMP c1cc(CCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001332425304 935468270 /nfs/dbraw/zinc/46/82/70/935468270.db2.gz YSQUVXFFRXJHQN-UHFFFAOYSA-N 2 1 278.465 3.146 20 0 CGADMP COC1(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CCC1 ZINC001332994062 935503330 /nfs/dbraw/zinc/50/33/30/935503330.db2.gz NOEFDLQOPQZPBI-UHFFFAOYSA-N 2 1 290.451 3.186 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2CF)CC1 ZINC001333483724 935539533 /nfs/dbraw/zinc/53/95/33/935539533.db2.gz MFESNWOAULZSOM-INIZCTEOSA-N 2 1 264.388 3.072 20 0 CGADMP Cc1cccc(NCCNc2c(C)c[nH+]c3ccccc32)[nH+]1 ZINC001333766637 936064620 /nfs/dbraw/zinc/06/46/20/936064620.db2.gz CHPDOOHJCVVUHX-UHFFFAOYSA-N 2 1 292.386 3.193 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC001334032555 936079616 /nfs/dbraw/zinc/07/96/16/936079616.db2.gz KREUPLWUKBUVIS-IXDOHACOSA-N 2 1 294.483 3.331 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCCC(F)(F)F ZINC001334287734 936094803 /nfs/dbraw/zinc/09/48/03/936094803.db2.gz OTSRYXNCKCJKBG-LLVKDONJSA-N 2 1 254.340 3.039 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCCC(F)(F)F ZINC001334287734 936094808 /nfs/dbraw/zinc/09/48/08/936094808.db2.gz OTSRYXNCKCJKBG-LLVKDONJSA-N 2 1 254.340 3.039 20 0 CGADMP Fc1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001334303459 936095922 /nfs/dbraw/zinc/09/59/22/936095922.db2.gz FWDLHWBNWADQHT-KRWDZBQOSA-N 2 1 290.426 3.080 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C[C@@H]1C ZINC001338075993 936305258 /nfs/dbraw/zinc/30/52/58/936305258.db2.gz XVEIBVQKICXYBT-CWVYHPPDSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1OC ZINC001473814118 937822852 /nfs/dbraw/zinc/82/28/52/937822852.db2.gz YIIYBHWWDKTEHX-GOEBONIOSA-N 2 1 294.414 3.359 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1OC ZINC001473814118 937822854 /nfs/dbraw/zinc/82/28/54/937822854.db2.gz YIIYBHWWDKTEHX-GOEBONIOSA-N 2 1 294.414 3.359 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317661 937851429 /nfs/dbraw/zinc/85/14/29/937851429.db2.gz IWKJPHRYHUMKPY-YJBOKZPZSA-N 2 1 299.462 3.340 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317661 937851431 /nfs/dbraw/zinc/85/14/31/937851431.db2.gz IWKJPHRYHUMKPY-YJBOKZPZSA-N 2 1 299.462 3.340 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317661 937851433 /nfs/dbraw/zinc/85/14/33/937851433.db2.gz IWKJPHRYHUMKPY-YJBOKZPZSA-N 2 1 299.462 3.340 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317661 937851435 /nfs/dbraw/zinc/85/14/35/937851435.db2.gz IWKJPHRYHUMKPY-YJBOKZPZSA-N 2 1 299.462 3.340 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1(C)C ZINC001474628196 937871498 /nfs/dbraw/zinc/87/14/98/937871498.db2.gz AOTXAPIVHPYUOQ-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[C@H]([NH3+])C2)cc1F ZINC001550349942 938166147 /nfs/dbraw/zinc/16/61/47/938166147.db2.gz AWJXGMHHVHSEFH-NOLJZWGESA-N 2 1 292.398 3.099 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540380 938167706 /nfs/dbraw/zinc/16/77/06/938167706.db2.gz CJZYXKXWYVHFES-YQQAZPJKSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540380 938167707 /nfs/dbraw/zinc/16/77/07/938167707.db2.gz CJZYXKXWYVHFES-YQQAZPJKSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540380 938167708 /nfs/dbraw/zinc/16/77/08/938167708.db2.gz CJZYXKXWYVHFES-YQQAZPJKSA-N 2 1 276.399 3.160 20 0 CGADMP CC(C)OC1CC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001552080881 938190009 /nfs/dbraw/zinc/19/00/09/938190009.db2.gz WSXBTLGWZMSEIO-BFWZDYSYSA-N 2 1 288.435 3.025 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC001560865114 938280844 /nfs/dbraw/zinc/28/08/44/938280844.db2.gz QTYTWNBQCNTTRW-DOTOQJQBSA-N 2 1 274.452 3.426 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC001560865114 938280845 /nfs/dbraw/zinc/28/08/45/938280845.db2.gz QTYTWNBQCNTTRW-DOTOQJQBSA-N 2 1 274.452 3.426 20 0 CGADMP CC(C)C1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC001560986861 938287970 /nfs/dbraw/zinc/28/79/70/938287970.db2.gz HBMUMWQUMKYNHP-OAHLLOKOSA-N 2 1 273.424 3.028 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCC3CCCCCC3)[C@H]2C1 ZINC001561052675 938292389 /nfs/dbraw/zinc/29/23/89/938292389.db2.gz IGRVBUNQWGBXKF-ULQDDVLXSA-N 2 1 264.457 3.277 20 0 CGADMP CC[NH+](CC)C1CC[NH+](CCCc2ccsc2)CC1 ZINC001323680667 960436664 /nfs/dbraw/zinc/43/66/64/960436664.db2.gz MSFQHOFMAKRTAC-UHFFFAOYSA-N 2 1 280.481 3.487 20 0 CGADMP CC1(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC001576502329 960478922 /nfs/dbraw/zinc/47/89/22/960478922.db2.gz ADHSODJBDOSDPJ-ZBFHGGJFSA-N 2 1 264.457 3.406 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC001574795567 962326073 /nfs/dbraw/zinc/32/60/73/962326073.db2.gz NJOAWZTYEKFTJJ-SJLPKXTDSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCC2CCCC2)C1 ZINC001575115578 962345726 /nfs/dbraw/zinc/34/57/26/962345726.db2.gz HTQYCAPGNJUUSS-MRXNPFEDSA-N 2 1 252.446 3.264 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)c1 ZINC001575277765 962351729 /nfs/dbraw/zinc/35/17/29/962351729.db2.gz ZKSUGKMYSNKUOA-AEFFLSMTSA-N 2 1 272.436 3.025 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)c1 ZINC001575277765 962351749 /nfs/dbraw/zinc/35/17/49/962351749.db2.gz ZKSUGKMYSNKUOA-AEFFLSMTSA-N 2 1 272.436 3.025 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001575423773 962375097 /nfs/dbraw/zinc/37/50/97/962375097.db2.gz XQZIDVMKXDDTQJ-ROUUACIJSA-N 2 1 274.452 3.172 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001575498067 962377172 /nfs/dbraw/zinc/37/71/72/962377172.db2.gz IDJIYBQPHIVEHC-OTBWCIGPSA-N 2 1 266.473 3.366 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001575423099 962379132 /nfs/dbraw/zinc/37/91/32/962379132.db2.gz PKBKMZRGYHXCEA-HOTGVXAUSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC001575422220 962379808 /nfs/dbraw/zinc/37/98/08/962379808.db2.gz GAQBUOCNNBGITJ-MRXNPFEDSA-N 2 1 285.435 3.078 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC001575422220 962379824 /nfs/dbraw/zinc/37/98/24/962379824.db2.gz GAQBUOCNNBGITJ-MRXNPFEDSA-N 2 1 285.435 3.078 20 0 CGADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cc(F)ccc1N(C)C ZINC001575934450 962416444 /nfs/dbraw/zinc/41/64/44/962416444.db2.gz QJZPRNCUKIXXMW-IPYPFGDCSA-N 2 1 293.430 3.073 20 0 CGADMP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC001576458026 962470537 /nfs/dbraw/zinc/47/05/37/962470537.db2.gz VHOOBQDMMSVEQF-GXTWGEPZSA-N 2 1 264.438 3.131 20 0 CGADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC001576458026 962470547 /nfs/dbraw/zinc/47/05/47/962470547.db2.gz VHOOBQDMMSVEQF-GXTWGEPZSA-N 2 1 264.438 3.131 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576623769 962472754 /nfs/dbraw/zinc/47/27/54/962472754.db2.gz MRLJMFFLEQJVRJ-OSBBLCOHSA-N 2 1 272.436 3.108 20 0 CGADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001576681801 962485758 /nfs/dbraw/zinc/48/57/58/962485758.db2.gz NWDULRIIIXCCAB-VDHUWJSZSA-N 2 1 272.436 3.158 20 0 CGADMP CCC1CCC([N@@H+](CCO)C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC001577246751 962518701 /nfs/dbraw/zinc/51/87/01/962518701.db2.gz PPEFHOKTONJONF-GFHJVICUSA-N 2 1 296.499 3.015 20 0 CGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC2(C[NH3+])CCC2)C1(CC)CC ZINC001578087221 962560846 /nfs/dbraw/zinc/56/08/46/962560846.db2.gz GJRFGQKSJRPPHO-CABCVRRESA-N 2 1 282.472 3.031 20 0 CGADMP CC[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC001577846143 962564445 /nfs/dbraw/zinc/56/44/45/962564445.db2.gz XLZVENUBHLXADG-UHFFFAOYSA-N 2 1 272.392 3.344 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CC2(C[NH3+])CCC2)s1 ZINC001578289660 962581420 /nfs/dbraw/zinc/58/14/20/962581420.db2.gz ACEOTHFSYRPYLO-LBPRGKRZSA-N 2 1 281.469 3.136 20 0 CGADMP C[N@H+](Cc1c(Cl)ccnc1Cl)C1CCC([NH3+])CC1 ZINC001578485626 962597336 /nfs/dbraw/zinc/59/73/36/962597336.db2.gz ASHLZQYIRIVTPP-UHFFFAOYSA-N 2 1 288.222 3.090 20 0 CGADMP C[N@@H+](Cc1c(Cl)ccnc1Cl)C1CCC([NH3+])CC1 ZINC001578485626 962597348 /nfs/dbraw/zinc/59/73/48/962597348.db2.gz ASHLZQYIRIVTPP-UHFFFAOYSA-N 2 1 288.222 3.090 20 0 CGADMP COc1ccccc1/C=C\C[NH2+][C@@](C)(C[NH3+])CC(C)C ZINC001579306926 962620962 /nfs/dbraw/zinc/62/09/62/962620962.db2.gz IAAPQFXVGSTPTJ-NBEHIINDSA-N 2 1 276.424 3.062 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001579455483 962626184 /nfs/dbraw/zinc/62/61/84/962626184.db2.gz HNQDIIDJPKTHRA-PBHICJAKSA-N 2 1 296.414 3.160 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001579455483 962626201 /nfs/dbraw/zinc/62/62/01/962626201.db2.gz HNQDIIDJPKTHRA-PBHICJAKSA-N 2 1 296.414 3.160 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC001579764832 962668779 /nfs/dbraw/zinc/66/87/79/962668779.db2.gz FWNQHMAKMNUMRC-CYBMUJFWSA-N 2 1 266.816 3.352 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(C)(C)C[NH3+])C1 ZINC001579795340 962674955 /nfs/dbraw/zinc/67/49/55/962674955.db2.gz NSSXIDWGEQSCJJ-HUUCEWRRSA-N 2 1 260.425 3.158 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC001579889727 962683028 /nfs/dbraw/zinc/68/30/28/962683028.db2.gz XBHBKUJSPPJYNQ-UHFFFAOYSA-N 2 1 280.460 3.032 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC001580033615 962690125 /nfs/dbraw/zinc/69/01/25/962690125.db2.gz UTGQYMKXHAVQHW-LAQRGFTBSA-N 2 1 288.410 3.003 20 0 CGADMP [NH3+]CC1(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC001580243450 962705753 /nfs/dbraw/zinc/70/57/53/962705753.db2.gz HEWOFRFEBAYATD-OAHLLOKOSA-N 2 1 280.362 3.231 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC001580243450 962705767 /nfs/dbraw/zinc/70/57/67/962705767.db2.gz HEWOFRFEBAYATD-OAHLLOKOSA-N 2 1 280.362 3.231 20 0 CGADMP CCCc1ccc(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000621329476 349497278 /nfs/dbraw/zinc/49/72/78/349497278.db2.gz DLQZGTNBFMIUHG-UHFFFAOYSA-N 2 1 277.437 3.385 20 0 CGADMP Clc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127747107 187329801 /nfs/dbraw/zinc/32/98/01/187329801.db2.gz WNBXRQNCZRJPBD-JKSUJKDBSA-N 2 1 278.827 3.099 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000124798377 187154517 /nfs/dbraw/zinc/15/45/17/187154517.db2.gz OGKITHZDHHMGRS-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000124798377 187154518 /nfs/dbraw/zinc/15/45/18/187154518.db2.gz OGKITHZDHHMGRS-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)c1 ZINC000124798377 187154519 /nfs/dbraw/zinc/15/45/19/187154519.db2.gz OGKITHZDHHMGRS-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000124804255 187154775 /nfs/dbraw/zinc/15/47/75/187154775.db2.gz NOQUPGZGTIMOGW-KRWDZBQOSA-N 2 1 269.392 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000124804255 187154776 /nfs/dbraw/zinc/15/47/76/187154776.db2.gz NOQUPGZGTIMOGW-KRWDZBQOSA-N 2 1 269.392 3.419 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccccc1 ZINC000124803448 187155039 /nfs/dbraw/zinc/15/50/39/187155039.db2.gz FHLXFZMBOVDLIX-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000124803448 187155040 /nfs/dbraw/zinc/15/50/40/187155040.db2.gz FHLXFZMBOVDLIX-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000124803448 187155041 /nfs/dbraw/zinc/15/50/41/187155041.db2.gz FHLXFZMBOVDLIX-IAGOWNOFSA-N 2 1 258.409 3.308 20 0 CGADMP C[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000337629967 214187495 /nfs/dbraw/zinc/18/74/95/214187495.db2.gz CNXACTOJHQYECL-HZPDHXFCSA-N 2 1 272.436 3.370 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2CCC3)C1 ZINC000651646508 398261804 /nfs/dbraw/zinc/26/18/04/398261804.db2.gz GTYKNSAQUPIQRR-INIZCTEOSA-N 2 1 286.463 3.339 20 0 CGADMP CCCc1ccc(C[N@H+](C)CCC[NH+](C)C)s1 ZINC000621727639 349568514 /nfs/dbraw/zinc/56/85/14/349568514.db2.gz LCOLEYQJFHBXNH-UHFFFAOYSA-N 2 1 254.443 3.084 20 0 CGADMP CCCc1ccc(C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000621727639 349568519 /nfs/dbraw/zinc/56/85/19/349568519.db2.gz LCOLEYQJFHBXNH-UHFFFAOYSA-N 2 1 254.443 3.084 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2C)C1 ZINC000651692745 398270401 /nfs/dbraw/zinc/27/04/01/398270401.db2.gz QBZCCUWLTAXCIY-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP COc1ccc2cc(C[N@@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)ccc2c1 ZINC000622005330 349620948 /nfs/dbraw/zinc/62/09/48/349620948.db2.gz BMLXBTNZEIEOAD-PKOBYXMFSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)ccc2c1 ZINC000622005330 349620952 /nfs/dbraw/zinc/62/09/52/349620952.db2.gz BMLXBTNZEIEOAD-PKOBYXMFSA-N 2 1 296.414 3.162 20 0 CGADMP Cc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000096971162 185143866 /nfs/dbraw/zinc/14/38/66/185143866.db2.gz DEZKXVHUHBQOSC-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000096971162 185143868 /nfs/dbraw/zinc/14/38/68/185143868.db2.gz DEZKXVHUHBQOSC-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000096971162 185143869 /nfs/dbraw/zinc/14/38/69/185143869.db2.gz DEZKXVHUHBQOSC-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000651786581 398288051 /nfs/dbraw/zinc/28/80/51/398288051.db2.gz BITGHEYCRNBUSQ-IJEWVQPXSA-N 2 1 261.413 3.004 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000337953259 214329022 /nfs/dbraw/zinc/32/90/22/214329022.db2.gz XLNCRTHZOPZMOX-UHFFFAOYSA-N 2 1 290.436 3.095 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000651864733 398298215 /nfs/dbraw/zinc/29/82/15/398298215.db2.gz BRMPZXRGBFJGLJ-AWEZNQCLSA-N 2 1 272.502 3.086 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338014993 214361949 /nfs/dbraw/zinc/36/19/49/214361949.db2.gz IUPNZOPOGXEKKE-UKRRQHHQSA-N 2 1 251.418 3.386 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000338018923 214365088 /nfs/dbraw/zinc/36/50/88/214365088.db2.gz MSDVEVSMJQNUHD-KFWWJZLASA-N 2 1 258.425 3.225 20 0 CGADMP CCC1(CC)CCC([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000652190705 398326712 /nfs/dbraw/zinc/32/67/12/398326712.db2.gz YBCMEVIVYIGJCH-UHFFFAOYSA-N 2 1 263.429 3.301 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423456933 529567825 /nfs/dbraw/zinc/56/78/25/529567825.db2.gz DYKRZSNYMOWODQ-SUMWQHHRSA-N 2 1 269.392 3.137 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423486584 529568782 /nfs/dbraw/zinc/56/87/82/529568782.db2.gz ZOMSWKUAVIJMQR-KGLIPLIRSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)[C@H]1C[C@@H]1C ZINC000414131875 529586008 /nfs/dbraw/zinc/58/60/08/529586008.db2.gz YLSSMLJQLJDQDH-JQFCIGGWSA-N 2 1 287.451 3.383 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)[C@H]1CC1(C)C ZINC000414076379 529610269 /nfs/dbraw/zinc/61/02/69/529610269.db2.gz OQNYFNDESNIIHY-YUELXQCFSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000268791743 282209715 /nfs/dbraw/zinc/20/97/15/282209715.db2.gz GRNDFSFCIFOLEM-AWEZNQCLSA-N 2 1 273.380 3.088 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C ZINC000623336175 349780581 /nfs/dbraw/zinc/78/05/81/349780581.db2.gz ZRCAMTHBPHIMNX-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335779 349780674 /nfs/dbraw/zinc/78/06/74/349780674.db2.gz CYBKKXMDYNCXRU-RDJZCZTQSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000623338217 349781748 /nfs/dbraw/zinc/78/17/48/349781748.db2.gz QGOGYHLEVAPXTR-VXGBXAGGSA-N 2 1 252.427 3.272 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623359351 349788098 /nfs/dbraw/zinc/78/80/98/349788098.db2.gz MXHUZLCFPRQDEP-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623359351 349788102 /nfs/dbraw/zinc/78/81/02/349788102.db2.gz MXHUZLCFPRQDEP-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623358081 349788406 /nfs/dbraw/zinc/78/84/06/349788406.db2.gz NDODDGYSJIAYAQ-SJORKVTESA-N 3 1 295.515 3.103 20 0 CGADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358081 349788408 /nfs/dbraw/zinc/78/84/08/349788408.db2.gz NDODDGYSJIAYAQ-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358081 349788411 /nfs/dbraw/zinc/78/84/11/349788411.db2.gz NDODDGYSJIAYAQ-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623358081 349788413 /nfs/dbraw/zinc/78/84/13/349788413.db2.gz NDODDGYSJIAYAQ-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623358081 349788415 /nfs/dbraw/zinc/78/84/15/349788415.db2.gz NDODDGYSJIAYAQ-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cc(C)ccc1OC ZINC000423374361 529659788 /nfs/dbraw/zinc/65/97/88/529659788.db2.gz JUNYKNINPULORU-LZWOXQAQSA-N 2 1 276.424 3.185 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623375024 349793466 /nfs/dbraw/zinc/79/34/66/349793466.db2.gz ZMFWJWKEACUUGQ-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000126542003 187246790 /nfs/dbraw/zinc/24/67/90/187246790.db2.gz GUCGDTRULUMNKI-KDOFPFPSSA-N 2 1 270.420 3.056 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623428363 349806035 /nfs/dbraw/zinc/80/60/35/349806035.db2.gz IFQYKCYASAZNSY-KRWDZBQOSA-N 2 1 274.452 3.308 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623426607 349805557 /nfs/dbraw/zinc/80/55/57/349805557.db2.gz SULQWWKSIXNOMI-OCCSQVGLSA-N 2 1 280.481 3.450 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623428234 349805757 /nfs/dbraw/zinc/80/57/57/349805757.db2.gz CYROLQFXWVVTIL-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000623425716 349805834 /nfs/dbraw/zinc/80/58/34/349805834.db2.gz KNDNPFOECMPION-ROUUACIJSA-N 2 1 286.463 3.470 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623505298 349822021 /nfs/dbraw/zinc/82/20/21/349822021.db2.gz XJWHEXRNANJBLL-GDBMZVCRSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623505298 349822023 /nfs/dbraw/zinc/82/20/23/349822023.db2.gz XJWHEXRNANJBLL-GDBMZVCRSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623550411 349832540 /nfs/dbraw/zinc/83/25/40/349832540.db2.gz NJGSEZTZIDKKGL-WDEREUQCSA-N 2 1 266.351 3.037 20 0 CGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000623529090 349827316 /nfs/dbraw/zinc/82/73/16/349827316.db2.gz VATNQADLFOCUQC-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623546737 349831396 /nfs/dbraw/zinc/83/13/96/349831396.db2.gz PVJFTKRPCIFVJN-NVXWUHKLSA-N 2 1 289.467 3.255 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]2CCC[C@H]21 ZINC000368611388 529806650 /nfs/dbraw/zinc/80/66/50/529806650.db2.gz CSSJKXDCWWEYIM-RWMBFGLXSA-N 2 1 284.856 3.364 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000414174190 529807208 /nfs/dbraw/zinc/80/72/08/529807208.db2.gz XVNANSCHZGFEOK-GCDKYVQMSA-N 2 1 288.410 3.144 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000623657615 349859311 /nfs/dbraw/zinc/85/93/11/349859311.db2.gz VLZLRLKLMAMHRP-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000623657615 349859317 /nfs/dbraw/zinc/85/93/17/349859317.db2.gz VLZLRLKLMAMHRP-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000623657574 349859966 /nfs/dbraw/zinc/85/99/66/349859966.db2.gz UTXJHLBEBZNKSS-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000623656806 349857629 /nfs/dbraw/zinc/85/76/29/349857629.db2.gz CGAMYTJHHYOIHC-ZDUSSCGKSA-N 2 1 289.448 3.118 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656863 349857774 /nfs/dbraw/zinc/85/77/74/349857774.db2.gz DKJFYLWDTDWPDR-HOCLYGCPSA-N 2 1 278.415 3.078 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2cccnc2o1 ZINC000449030053 529929923 /nfs/dbraw/zinc/92/99/23/529929923.db2.gz QPWHBIOVVFGICH-HNNXBMFYSA-N 2 1 287.407 3.134 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2cccnc2o1 ZINC000449030053 529929924 /nfs/dbraw/zinc/92/99/24/529929924.db2.gz QPWHBIOVVFGICH-HNNXBMFYSA-N 2 1 287.407 3.134 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2cccnc2o1 ZINC000449030053 529929925 /nfs/dbraw/zinc/92/99/25/529929925.db2.gz QPWHBIOVVFGICH-HNNXBMFYSA-N 2 1 287.407 3.134 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2cccnc2o1 ZINC000449030053 529929926 /nfs/dbraw/zinc/92/99/26/529929926.db2.gz QPWHBIOVVFGICH-HNNXBMFYSA-N 2 1 287.407 3.134 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCCO1 ZINC000623864124 349899603 /nfs/dbraw/zinc/89/96/03/349899603.db2.gz HBDWXARMQGFSAB-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000351589362 219135356 /nfs/dbraw/zinc/13/53/56/219135356.db2.gz NHCAWHIVSROCIY-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000351589362 219135359 /nfs/dbraw/zinc/13/53/59/219135359.db2.gz NHCAWHIVSROCIY-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000351589362 219135361 /nfs/dbraw/zinc/13/53/61/219135361.db2.gz NHCAWHIVSROCIY-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000040621968 344963961 /nfs/dbraw/zinc/96/39/61/344963961.db2.gz SXZYEVGUAHIUAX-CYBMUJFWSA-N 2 1 298.377 3.108 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000040621968 344963962 /nfs/dbraw/zinc/96/39/62/344963962.db2.gz SXZYEVGUAHIUAX-CYBMUJFWSA-N 2 1 298.377 3.108 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000040621911 344964345 /nfs/dbraw/zinc/96/43/45/344964345.db2.gz LTINBPPDCNVITB-AWEZNQCLSA-N 2 1 266.816 3.160 20 0 CGADMP CN(C)c1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000075860929 345524626 /nfs/dbraw/zinc/52/46/26/345524626.db2.gz LJTHRNQPAJFZSV-QGZVFWFLSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000075860929 345524629 /nfs/dbraw/zinc/52/46/29/345524629.db2.gz LJTHRNQPAJFZSV-QGZVFWFLSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000075860929 345524633 /nfs/dbraw/zinc/52/46/33/345524633.db2.gz LJTHRNQPAJFZSV-QGZVFWFLSA-N 2 1 289.467 3.059 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081630734 345716327 /nfs/dbraw/zinc/71/63/27/345716327.db2.gz UUCGVEGSYXSVCP-GOSISDBHSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081630734 345716328 /nfs/dbraw/zinc/71/63/28/345716328.db2.gz UUCGVEGSYXSVCP-GOSISDBHSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081630734 345716331 /nfs/dbraw/zinc/71/63/31/345716331.db2.gz UUCGVEGSYXSVCP-GOSISDBHSA-N 2 1 272.436 3.159 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000092796684 345858780 /nfs/dbraw/zinc/85/87/80/345858780.db2.gz MELDFCKJHNEEIT-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP Clc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000112119146 345953294 /nfs/dbraw/zinc/95/32/94/345953294.db2.gz PYKPGJMXFPWHSB-UHFFFAOYSA-N 2 1 287.794 3.057 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174515541 232302615 /nfs/dbraw/zinc/30/26/15/232302615.db2.gz LHJBNCVJZSUZDO-HOCLYGCPSA-N 2 1 298.430 3.421 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000174515541 232302616 /nfs/dbraw/zinc/30/26/16/232302616.db2.gz LHJBNCVJZSUZDO-HOCLYGCPSA-N 2 1 298.430 3.421 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000149771259 346131838 /nfs/dbraw/zinc/13/18/38/346131838.db2.gz SIQCLHVOYPRDKU-UHFFFAOYSA-N 2 1 290.329 3.192 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000167061120 346188386 /nfs/dbraw/zinc/18/83/86/346188386.db2.gz RBUIEOIEYZQBAP-KSSFIOAISA-N 2 1 299.418 3.400 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]3CCC[C@H]31)C[NH2+]CC2 ZINC000228244980 346314030 /nfs/dbraw/zinc/31/40/30/346314030.db2.gz AHARDSMJLLSFCR-SJLPKXTDSA-N 2 1 270.420 3.097 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249615801 346382654 /nfs/dbraw/zinc/38/26/54/346382654.db2.gz SSNKWZJCQDUXLN-PBHICJAKSA-N 2 1 288.435 3.004 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249615802 346382687 /nfs/dbraw/zinc/38/26/87/346382687.db2.gz SSNKWZJCQDUXLN-YOEHRIQHSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)([NH+](C)C)C1 ZINC000251847459 346390380 /nfs/dbraw/zinc/39/03/80/346390380.db2.gz OROGEVSEWWWQMI-UUAJXVIYSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300087657 346435950 /nfs/dbraw/zinc/43/59/50/346435950.db2.gz NEWLVGXTOPQDQS-PBFPGSCMSA-N 2 1 254.377 3.180 20 0 CGADMP C[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000308616266 232645637 /nfs/dbraw/zinc/64/56/37/232645637.db2.gz WALQKAGMSBIULU-OAHLLOKOSA-N 2 1 260.425 3.254 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000624120465 349976215 /nfs/dbraw/zinc/97/62/15/349976215.db2.gz ZXRLUKXBYIFFBN-MAUKXSAKSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000351852274 219227077 /nfs/dbraw/zinc/22/70/77/219227077.db2.gz MHMDJICSMHYCNV-GJZGRUSLSA-N 2 1 278.465 3.065 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120444 349977039 /nfs/dbraw/zinc/97/70/39/349977039.db2.gz ZHMXAALRKOMMAJ-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120444 349977042 /nfs/dbraw/zinc/97/70/42/349977042.db2.gz ZHMXAALRKOMMAJ-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000624120186 349977632 /nfs/dbraw/zinc/97/76/32/349977632.db2.gz UAWIKUJUFNTEQA-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000624120186 349977634 /nfs/dbraw/zinc/97/76/34/349977634.db2.gz UAWIKUJUFNTEQA-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120723 349978905 /nfs/dbraw/zinc/97/89/05/349978905.db2.gz FSCHEPJNGRMSFZ-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120723 349978908 /nfs/dbraw/zinc/97/89/08/349978908.db2.gz FSCHEPJNGRMSFZ-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1F ZINC000624121785 349980764 /nfs/dbraw/zinc/98/07/64/349980764.db2.gz CXANLEBDAAXENN-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP CC(C)[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000624122687 349981024 /nfs/dbraw/zinc/98/10/24/349981024.db2.gz YOVIDPRPURFPAS-YOEHRIQHSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000624122687 349981027 /nfs/dbraw/zinc/98/10/27/349981027.db2.gz YOVIDPRPURFPAS-YOEHRIQHSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000624122687 349981029 /nfs/dbraw/zinc/98/10/29/349981029.db2.gz YOVIDPRPURFPAS-YOEHRIQHSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000339408240 215152697 /nfs/dbraw/zinc/15/26/97/215152697.db2.gz WJPZFUBVCSQVHK-XIRDDKMYSA-N 2 1 260.425 3.095 20 0 CGADMP CC(C)[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000339407491 215153177 /nfs/dbraw/zinc/15/31/77/215153177.db2.gz NUQNFGMHZLDBIT-QGZVFWFLSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)oc1C ZINC000624123376 349982681 /nfs/dbraw/zinc/98/26/81/349982681.db2.gz KXHBXYCDYMKNCA-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)oc1C ZINC000624123376 349982688 /nfs/dbraw/zinc/98/26/88/349982688.db2.gz KXHBXYCDYMKNCA-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccncc1 ZINC000624123495 349982724 /nfs/dbraw/zinc/98/27/24/349982724.db2.gz NFOLDXHNIJXARB-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000339426918 215161901 /nfs/dbraw/zinc/16/19/01/215161901.db2.gz BTXKDKLPOXVAQO-FHWLQOOXSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000339426918 215161905 /nfs/dbraw/zinc/16/19/05/215161905.db2.gz BTXKDKLPOXVAQO-FHWLQOOXSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000339426918 215161908 /nfs/dbraw/zinc/16/19/08/215161908.db2.gz BTXKDKLPOXVAQO-FHWLQOOXSA-N 2 1 284.447 3.208 20 0 CGADMP Cc1cc(C)cc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000607739252 348259788 /nfs/dbraw/zinc/25/97/88/348259788.db2.gz KATPYGICZVRLDT-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000607739252 348259790 /nfs/dbraw/zinc/25/97/90/348259790.db2.gz KATPYGICZVRLDT-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000607739252 348259792 /nfs/dbraw/zinc/25/97/92/348259792.db2.gz KATPYGICZVRLDT-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000607739252 348259793 /nfs/dbraw/zinc/25/97/93/348259793.db2.gz KATPYGICZVRLDT-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP CSc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437489 215169584 /nfs/dbraw/zinc/16/95/84/215169584.db2.gz KMMPKJKLGPPYRE-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437489 215169587 /nfs/dbraw/zinc/16/95/87/215169587.db2.gz KMMPKJKLGPPYRE-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339437489 215169589 /nfs/dbraw/zinc/16/95/89/215169589.db2.gz KMMPKJKLGPPYRE-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339437489 215169593 /nfs/dbraw/zinc/16/95/93/215169593.db2.gz KMMPKJKLGPPYRE-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000608061451 348280457 /nfs/dbraw/zinc/28/04/57/348280457.db2.gz CISJOXBPRQTYEN-YOEHRIQHSA-N 2 1 260.425 3.211 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cncs1 ZINC000358475950 233139640 /nfs/dbraw/zinc/13/96/40/233139640.db2.gz XJQKQOOOCBOMGL-IHRRRGAJSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cncs1 ZINC000358475950 233139642 /nfs/dbraw/zinc/13/96/42/233139642.db2.gz XJQKQOOOCBOMGL-IHRRRGAJSA-N 2 1 293.480 3.447 20 0 CGADMP c1ccc2cc(CC[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc2c1 ZINC000358507114 233146091 /nfs/dbraw/zinc/14/60/91/233146091.db2.gz NISLGORFJSKSKO-UHFFFAOYSA-N 2 1 294.442 3.458 20 0 CGADMP C[NH+](C)[C@@]1(CNc2cc[nH+]c3ccsc32)CCSC1 ZINC000359017404 233241944 /nfs/dbraw/zinc/24/19/44/233241944.db2.gz UVNXVTKTKRPBHF-CQSZACIVSA-N 2 1 293.461 3.146 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccco1 ZINC000359419306 233314857 /nfs/dbraw/zinc/31/48/57/233314857.db2.gz KSOTZBMOBHVILN-VQIMIIECSA-N 2 1 298.430 3.322 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@@H]1n1ccnc1 ZINC000271282882 191048412 /nfs/dbraw/zinc/04/84/12/191048412.db2.gz PQFSPSDIMWNOHI-YOEHRIQHSA-N 2 1 294.402 3.448 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3C[C@H]3C)C2)s1 ZINC000625402608 350167587 /nfs/dbraw/zinc/16/75/87/350167587.db2.gz QYKNBTLWHCZRDS-BMFZPTHFSA-N 2 1 292.492 3.466 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3C[C@H]3C)C2)s1 ZINC000625402608 350167589 /nfs/dbraw/zinc/16/75/89/350167589.db2.gz QYKNBTLWHCZRDS-BMFZPTHFSA-N 2 1 292.492 3.466 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3C[C@H]3C)C2)s1 ZINC000625402608 350167591 /nfs/dbraw/zinc/16/75/91/350167591.db2.gz QYKNBTLWHCZRDS-BMFZPTHFSA-N 2 1 292.492 3.466 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000625445640 350172797 /nfs/dbraw/zinc/17/27/97/350172797.db2.gz GFSLRUGQXYRBAG-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000625445640 350172801 /nfs/dbraw/zinc/17/28/01/350172801.db2.gz GFSLRUGQXYRBAG-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000625445640 350172803 /nfs/dbraw/zinc/17/28/03/350172803.db2.gz GFSLRUGQXYRBAG-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CN(Cc1cc(O)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000625422091 350169184 /nfs/dbraw/zinc/16/91/84/350169184.db2.gz DNWXFJOHPXFGAJ-PBWFPOADSA-N 2 1 294.826 3.103 20 0 CGADMP Cc1c[nH+]ccc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000359530144 233329807 /nfs/dbraw/zinc/32/98/07/233329807.db2.gz GMLJXWLIZYNKJM-GOSISDBHSA-N 2 1 295.430 3.491 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC2(CC2)CC1 ZINC000626114383 350264154 /nfs/dbraw/zinc/26/41/54/350264154.db2.gz DTZQTSQILIKUHN-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC2(CC2)CC1 ZINC000626114383 350264155 /nfs/dbraw/zinc/26/41/55/350264155.db2.gz DTZQTSQILIKUHN-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000628201941 350437956 /nfs/dbraw/zinc/43/79/56/350437956.db2.gz BANVXLLKXRNYGE-HOTGVXAUSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628202675 350439312 /nfs/dbraw/zinc/43/93/12/350439312.db2.gz CYAZJTILXXRYNV-CQSZACIVSA-N 2 1 291.439 3.154 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628279806 350475327 /nfs/dbraw/zinc/47/53/27/350475327.db2.gz ADZHBFFQJZKCFN-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628279806 350475331 /nfs/dbraw/zinc/47/53/31/350475331.db2.gz ADZHBFFQJZKCFN-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000628425255 350535403 /nfs/dbraw/zinc/53/54/03/350535403.db2.gz FTIUKAPYVXFEMA-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000628425694 350536822 /nfs/dbraw/zinc/53/68/22/350536822.db2.gz SHAJADLNRUQLLK-NVXWUHKLSA-N 2 1 290.451 3.035 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2c1 ZINC000629539031 350706604 /nfs/dbraw/zinc/70/66/04/350706604.db2.gz PSENVDYCMJNREQ-HKUYNNGSSA-N 2 1 295.430 3.104 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629411187 350690059 /nfs/dbraw/zinc/69/00/59/350690059.db2.gz IKVJORINYNNMTA-YDHLFZDLSA-N 2 1 278.465 3.070 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629415455 350691025 /nfs/dbraw/zinc/69/10/25/350691025.db2.gz QPFRKQLDOQVIJU-DJIMGWMZSA-N 2 1 260.425 3.046 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC000629516969 350699710 /nfs/dbraw/zinc/69/97/10/350699710.db2.gz WJEYPRSAPSKWLX-JWTNVVGKSA-N 2 1 295.430 3.258 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC000629516969 350699715 /nfs/dbraw/zinc/69/97/15/350699715.db2.gz WJEYPRSAPSKWLX-JWTNVVGKSA-N 2 1 295.430 3.258 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000629595319 350716960 /nfs/dbraw/zinc/71/69/60/350716960.db2.gz MRLPJSWFTUPMOH-WOMSROEHSA-N 2 1 250.430 3.054 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000352232325 219373988 /nfs/dbraw/zinc/37/39/88/219373988.db2.gz UIDLURXFYBMRSK-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]C1 ZINC000629649615 350730772 /nfs/dbraw/zinc/73/07/72/350730772.db2.gz DMNKAFXVPUVOGW-PBHICJAKSA-N 2 1 294.389 3.144 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]C1 ZINC000629649615 350730775 /nfs/dbraw/zinc/73/07/75/350730775.db2.gz DMNKAFXVPUVOGW-PBHICJAKSA-N 2 1 294.389 3.144 20 0 CGADMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cc(C)ccn1 ZINC000631576318 351073027 /nfs/dbraw/zinc/07/30/27/351073027.db2.gz KQUBEOYUADAWIX-OAHLLOKOSA-N 2 1 272.396 3.026 20 0 CGADMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cc(C)ccn1 ZINC000631576312 351073299 /nfs/dbraw/zinc/07/32/99/351073299.db2.gz KQUBEOYUADAWIX-HNNXBMFYSA-N 2 1 272.396 3.026 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000631829063 351148896 /nfs/dbraw/zinc/14/88/96/351148896.db2.gz GCUASBXJPUYYDS-ZFWWWQNUSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3ncccc23)C[C@@H]1C[NH3+] ZINC000634687976 351574054 /nfs/dbraw/zinc/57/40/54/351574054.db2.gz DYYWOXNUQYBYDS-YCPHGPKFSA-N 2 1 283.419 3.040 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000635007705 351625593 /nfs/dbraw/zinc/62/55/93/351625593.db2.gz BCXSWVVEYQOPPC-QWHCGFSZSA-N 2 1 250.386 3.017 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(F)c1 ZINC000635011083 351629955 /nfs/dbraw/zinc/62/99/55/351629955.db2.gz MEQNSDVPZBASOW-OLZOCXBDSA-N 2 1 294.414 3.263 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000339844406 215359808 /nfs/dbraw/zinc/35/98/08/215359808.db2.gz YATHDPCIBYVSLD-AEFFLSMTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000339844406 215359811 /nfs/dbraw/zinc/35/98/11/215359811.db2.gz YATHDPCIBYVSLD-AEFFLSMTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000339844406 215359815 /nfs/dbraw/zinc/35/98/15/215359815.db2.gz YATHDPCIBYVSLD-AEFFLSMTSA-N 2 1 272.436 3.220 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC1 ZINC000271480180 191162663 /nfs/dbraw/zinc/16/26/63/191162663.db2.gz KGLILEXTSASVBE-CRAIPNDOSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC1 ZINC000271480180 191162664 /nfs/dbraw/zinc/16/26/64/191162664.db2.gz KGLILEXTSASVBE-CRAIPNDOSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000364052879 234016664 /nfs/dbraw/zinc/01/66/64/234016664.db2.gz DACZVFFAMIVPOQ-GOSISDBHSA-N 2 1 299.418 3.125 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000364052879 234016668 /nfs/dbraw/zinc/01/66/68/234016668.db2.gz DACZVFFAMIVPOQ-GOSISDBHSA-N 2 1 299.418 3.125 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000367698437 234244061 /nfs/dbraw/zinc/24/40/61/234244061.db2.gz FHXAFRRODLGCSL-HNNXBMFYSA-N 2 1 281.359 3.156 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1ccccc1F ZINC000292227765 198209840 /nfs/dbraw/zinc/20/98/40/198209840.db2.gz VKZUDSCCNUUBAK-UHFFFAOYSA-N 2 1 275.371 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCc2occc2C1 ZINC000367987999 234266417 /nfs/dbraw/zinc/26/64/17/234266417.db2.gz IJXDBMRFIJMBRN-UHFFFAOYSA-N 2 1 273.380 3.013 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCc2occc2C1 ZINC000367987999 234266419 /nfs/dbraw/zinc/26/64/19/234266419.db2.gz IJXDBMRFIJMBRN-UHFFFAOYSA-N 2 1 273.380 3.013 20 0 CGADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000368088847 234279028 /nfs/dbraw/zinc/27/90/28/234279028.db2.gz IIDBOTSTTLIIDY-BBWFWOEESA-N 2 1 295.430 3.268 20 0 CGADMP c1ccc(C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000152377179 188013877 /nfs/dbraw/zinc/01/38/77/188013877.db2.gz ZQFJFIIYXQYOBR-QFBILLFUSA-N 2 1 284.447 3.082 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000152397173 188015826 /nfs/dbraw/zinc/01/58/26/188015826.db2.gz NIIZQDZXRJGAIB-CVEARBPZSA-N 2 1 272.436 3.438 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000152951689 188055243 /nfs/dbraw/zinc/05/52/43/188055243.db2.gz VNAUBWHAPZQMRS-XYJFISCASA-N 2 1 290.451 3.082 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000156209842 188249358 /nfs/dbraw/zinc/24/93/58/188249358.db2.gz SWRHUEDHELMAAD-VYDXJSESSA-N 2 1 260.425 3.253 20 0 CGADMP CC[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000156604617 188271612 /nfs/dbraw/zinc/27/16/12/188271612.db2.gz DBLDHIPJAUUUFE-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP CC[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000156604617 188271614 /nfs/dbraw/zinc/27/16/14/188271614.db2.gz DBLDHIPJAUUUFE-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP CC[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000156604617 188271615 /nfs/dbraw/zinc/27/16/15/188271615.db2.gz DBLDHIPJAUUUFE-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1ccc(C)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000369537250 234381666 /nfs/dbraw/zinc/38/16/66/234381666.db2.gz OWTWQVCPVITSAX-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000482895531 535242246 /nfs/dbraw/zinc/24/22/46/535242246.db2.gz FFMRFNJRHHYRRR-OKZBNKHCSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CCC(C)(C)CC2)CC[NH2+]1 ZINC000235697106 291054577 /nfs/dbraw/zinc/05/45/77/291054577.db2.gz YQHVKVWQSOWJIE-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414180363 235356044 /nfs/dbraw/zinc/35/60/44/235356044.db2.gz LYTULJZYWYUDAZ-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414171291 235353270 /nfs/dbraw/zinc/35/32/70/235353270.db2.gz DCMJSHWDWMIXNC-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@H]2CCC[C@H]21 ZINC000353601979 283132270 /nfs/dbraw/zinc/13/22/70/283132270.db2.gz CASRIWWJHDYUEK-OWCLPIDISA-N 2 1 262.441 3.172 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)[C@H]2CCC[C@@H]21 ZINC000513703133 283133904 /nfs/dbraw/zinc/13/39/04/283133904.db2.gz QVRSOSHMTLXBCJ-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(F)cc1F ZINC000093516278 138347105 /nfs/dbraw/zinc/34/71/05/138347105.db2.gz PFLKCGVRHCYARW-IUODEOHRSA-N 2 1 282.378 3.365 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000106166253 138353694 /nfs/dbraw/zinc/35/36/94/138353694.db2.gz ZONGLOWUMFQASE-UHFFFAOYSA-N 2 1 297.446 3.492 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868693 138355821 /nfs/dbraw/zinc/35/58/21/138355821.db2.gz TZFWQBZERAFJHG-ZIAGYGMSSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868693 138355822 /nfs/dbraw/zinc/35/58/22/138355822.db2.gz TZFWQBZERAFJHG-ZIAGYGMSSA-N 2 1 296.361 3.004 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000106868633 138356340 /nfs/dbraw/zinc/35/63/40/138356340.db2.gz JMJBBAINDXJZFT-QZTJIDSGSA-N 2 1 272.436 3.328 20 0 CGADMP FC(F)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127280665 138388729 /nfs/dbraw/zinc/38/87/29/138388729.db2.gz UPJYTBMWEXYXFA-UONOGXRCSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127280665 138388730 /nfs/dbraw/zinc/38/87/30/138388730.db2.gz UPJYTBMWEXYXFA-UONOGXRCSA-N 2 1 296.361 3.004 20 0 CGADMP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000422713609 235908201 /nfs/dbraw/zinc/90/82/01/235908201.db2.gz PUVJBJWEDWCSKH-UBHSHLNASA-N 2 1 286.341 3.268 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423263461 236013863 /nfs/dbraw/zinc/01/38/63/236013863.db2.gz OKJTVXHSTGAWRR-CRAIPNDOSA-N 2 1 289.467 3.290 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1F ZINC000423278023 236020083 /nfs/dbraw/zinc/02/00/83/236020083.db2.gz QJJDABOYPIBMAU-MFKMUULPSA-N 2 1 270.417 3.182 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(SCC(F)F)cc1 ZINC000423287872 236025057 /nfs/dbraw/zinc/02/50/57/236025057.db2.gz OZSGJLUYYMERKE-JTQLQIEISA-N 2 1 288.407 3.432 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423296534 236028552 /nfs/dbraw/zinc/02/85/52/236028552.db2.gz HEHKYEDETMBUDQ-NEPJUHHUSA-N 2 1 275.421 3.056 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000423299953 236030205 /nfs/dbraw/zinc/03/02/05/236030205.db2.gz QOPADIZFWLDIBQ-HTQZYQBOSA-N 2 1 279.186 3.378 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc(C)c1F ZINC000423273066 236017557 /nfs/dbraw/zinc/01/75/57/236017557.db2.gz KGXAOJUTXGKVBW-OCCSQVGLSA-N 2 1 252.377 3.076 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423321961 236038330 /nfs/dbraw/zinc/03/83/30/236038330.db2.gz IFTJQPKYJZARAT-CABCVRRESA-N 2 1 284.403 3.263 20 0 CGADMP CC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192934377 138481285 /nfs/dbraw/zinc/48/12/85/138481285.db2.gz STKIMUCRJVZSND-INIZCTEOSA-N 2 1 260.425 3.144 20 0 CGADMP COC[C@@]1(C[NH2+][C@@H](CC(C)C)c2ccccc2)CCC[NH2+]1 ZINC000423410773 236067845 /nfs/dbraw/zinc/06/78/45/236067845.db2.gz AJVSBUQQAFFPPC-ROUUACIJSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423505015 236087784 /nfs/dbraw/zinc/08/77/84/236087784.db2.gz GYMVOXPKAIIDGS-DKSSEZFCSA-N 2 1 298.405 3.102 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000423532763 236093495 /nfs/dbraw/zinc/09/34/95/236093495.db2.gz RVIJXZLGVVHSHL-DGCLKSJQSA-N 2 1 252.427 3.225 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534332 236094235 /nfs/dbraw/zinc/09/42/35/236094235.db2.gz VMXWZFMLRKUCCP-LSTHTHJFSA-N 2 1 294.442 3.271 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000424371371 236157852 /nfs/dbraw/zinc/15/78/52/236157852.db2.gz FZQIWFVOCAXDGT-HZSPNIEDSA-N 2 1 280.412 3.222 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC24CC4)C3)cc1 ZINC000424321241 236148431 /nfs/dbraw/zinc/14/84/31/236148431.db2.gz JZCOKNKBNKZWON-MHORFTMASA-N 2 1 282.431 3.324 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427128024 236323386 /nfs/dbraw/zinc/32/33/86/236323386.db2.gz JCEUCQKRUFVDGI-CJNGLKHVSA-N 2 1 284.403 3.179 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCC1 ZINC000178097287 299289584 /nfs/dbraw/zinc/28/95/84/299289584.db2.gz BKAROPLILZATLU-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000298273088 200380054 /nfs/dbraw/zinc/38/00/54/200380054.db2.gz GNOKHUUCSKIAGV-UHFFFAOYSA-N 2 1 283.419 3.292 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccncc2CC)CC1 ZINC000341896658 216144551 /nfs/dbraw/zinc/14/45/51/216144551.db2.gz HCYXFLBUTWYTMI-CQSZACIVSA-N 2 1 275.440 3.169 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000178698484 189138022 /nfs/dbraw/zinc/13/80/22/189138022.db2.gz BLKCSEAGITUSPR-VXGBXAGGSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000178698472 189138259 /nfs/dbraw/zinc/13/82/59/189138259.db2.gz BLKCSEAGITUSPR-NWDGAFQWSA-N 2 1 293.361 3.457 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342095690 216216844 /nfs/dbraw/zinc/21/68/44/216216844.db2.gz YQWOIHYOSQOSNW-BHYGNILZSA-N 2 1 288.435 3.033 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC000342113991 216223611 /nfs/dbraw/zinc/22/36/11/216223611.db2.gz WOPRLZCTHJXVEH-ARFHVFGLSA-N 2 1 250.430 3.016 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000180405223 189253651 /nfs/dbraw/zinc/25/36/51/189253651.db2.gz MIQDLYDIVJIEDP-LBPRGKRZSA-N 2 1 281.831 3.258 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000181412549 189296283 /nfs/dbraw/zinc/29/62/83/189296283.db2.gz IKTPJRQUZIBHSP-RYUDHWBXSA-N 2 1 292.814 3.227 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000342357836 216322682 /nfs/dbraw/zinc/32/26/82/216322682.db2.gz NGZDCOYXZGKEKB-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP CCc1cc(NC[C@H](C)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302027334 201306265 /nfs/dbraw/zinc/30/62/65/201306265.db2.gz AIWVVGKBWWGYNJ-AWEZNQCLSA-N 2 1 298.434 3.280 20 0 CGADMP CCc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302027334 201306269 /nfs/dbraw/zinc/30/62/69/201306269.db2.gz AIWVVGKBWWGYNJ-AWEZNQCLSA-N 2 1 298.434 3.280 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000449094968 239177112 /nfs/dbraw/zinc/17/71/12/239177112.db2.gz VHZMJUWFQGRTPT-HUUCEWRRSA-N 2 1 278.440 3.311 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000449094968 239177117 /nfs/dbraw/zinc/17/71/17/239177117.db2.gz VHZMJUWFQGRTPT-HUUCEWRRSA-N 2 1 278.440 3.311 20 0 CGADMP Cc1cccc(CC[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000449132219 239196861 /nfs/dbraw/zinc/19/68/61/239196861.db2.gz SUQXFICOCPODIN-GOSISDBHSA-N 2 1 274.452 3.248 20 0 CGADMP C[NH+](C)CC1(C[NH2+]Cc2cc3cccnc3o2)CCCC1 ZINC000449244155 239266035 /nfs/dbraw/zinc/26/60/35/239266035.db2.gz QGKYMDPNTLMXRG-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119737866 370703566 /nfs/dbraw/zinc/70/35/66/370703566.db2.gz QFWBSMNLXJWQBY-XJKSGUPXSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119737616 370704273 /nfs/dbraw/zinc/70/42/73/370704273.db2.gz QFWBSMNLXJWQBY-BBRMVZONSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCSc1ccccc1F ZINC000337283808 376190142 /nfs/dbraw/zinc/19/01/42/376190142.db2.gz YKOWVLUZPXNGPL-UHFFFAOYSA-N 2 1 296.455 3.336 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCSc1ccccc1F ZINC000337283808 376190148 /nfs/dbraw/zinc/19/01/48/376190148.db2.gz YKOWVLUZPXNGPL-UHFFFAOYSA-N 2 1 296.455 3.336 20 0 CGADMP CC[N@@H+](CCCCn1ccnc1C)[C@@H](C)C(C)C ZINC000120426131 370767077 /nfs/dbraw/zinc/76/70/77/370767077.db2.gz DHEZWGAMDFWWGM-AWEZNQCLSA-N 2 1 251.418 3.338 20 0 CGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C(C)C ZINC000120426131 370767085 /nfs/dbraw/zinc/76/70/85/370767085.db2.gz DHEZWGAMDFWWGM-AWEZNQCLSA-N 2 1 251.418 3.338 20 0 CGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C(C)C ZINC000120426131 370767095 /nfs/dbraw/zinc/76/70/95/370767095.db2.gz DHEZWGAMDFWWGM-AWEZNQCLSA-N 2 1 251.418 3.338 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451027091 240194458 /nfs/dbraw/zinc/19/44/58/240194458.db2.gz OPLFJKGLILLLKO-UHFFFAOYSA-N 2 1 296.418 3.156 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451027091 240194462 /nfs/dbraw/zinc/19/44/62/240194462.db2.gz OPLFJKGLILLLKO-UHFFFAOYSA-N 2 1 296.418 3.156 20 0 CGADMP Cc1nccn1CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451849390 240369205 /nfs/dbraw/zinc/36/92/05/240369205.db2.gz HKUPZDYRPZCBEE-HNNXBMFYSA-N 2 1 271.364 3.012 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000275344171 193005774 /nfs/dbraw/zinc/00/57/74/193005774.db2.gz PIBOYOXPRLLNAL-SFHVURJKSA-N 2 1 272.436 3.105 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000275399202 193021062 /nfs/dbraw/zinc/02/10/62/193021062.db2.gz ZPGNJHQEZABIQA-GOSISDBHSA-N 2 1 285.435 3.439 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275418824 193028776 /nfs/dbraw/zinc/02/87/76/193028776.db2.gz BTNPNRRXGBUSRM-MJGOQNOKSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1 ZINC000275611457 193086856 /nfs/dbraw/zinc/08/68/56/193086856.db2.gz QYBBRXACVGSDAC-NWDGAFQWSA-N 2 1 291.345 3.075 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000275720017 193112086 /nfs/dbraw/zinc/11/20/86/193112086.db2.gz SLSJQYJFQSEZLN-INMHGKMJSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000275720017 193112088 /nfs/dbraw/zinc/11/20/88/193112088.db2.gz SLSJQYJFQSEZLN-INMHGKMJSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000275720017 193112090 /nfs/dbraw/zinc/11/20/90/193112090.db2.gz SLSJQYJFQSEZLN-INMHGKMJSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000275720017 193112091 /nfs/dbraw/zinc/11/20/91/193112091.db2.gz SLSJQYJFQSEZLN-INMHGKMJSA-N 2 1 260.425 3.062 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCc2cncn2C)c1 ZINC000459323674 242071282 /nfs/dbraw/zinc/07/12/82/242071282.db2.gz JCPNMPGOKGUZGA-OAHLLOKOSA-N 2 1 271.408 3.272 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343553 242082113 /nfs/dbraw/zinc/08/21/13/242082113.db2.gz QKUYCLSWGIVDRR-HOJAQTOUSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343553 242082123 /nfs/dbraw/zinc/08/21/23/242082123.db2.gz QKUYCLSWGIVDRR-HOJAQTOUSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343553 242082132 /nfs/dbraw/zinc/08/21/32/242082132.db2.gz QKUYCLSWGIVDRR-HOJAQTOUSA-N 2 1 298.474 3.454 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000459736671 242198235 /nfs/dbraw/zinc/19/82/35/242198235.db2.gz QJURICNBAZMJPO-ZDUSSCGKSA-N 2 1 298.377 3.110 20 0 CGADMP CCc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459729294 242196925 /nfs/dbraw/zinc/19/69/25/242196925.db2.gz IYWOZHORJZEBSD-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459731562 242197102 /nfs/dbraw/zinc/19/71/02/242197102.db2.gz FHEABKNJDQKBJD-GOEBONIOSA-N 2 1 278.415 3.078 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000459734188 242199452 /nfs/dbraw/zinc/19/94/52/242199452.db2.gz GWGRQMIPEMJELT-ZDUSSCGKSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459810953 242242556 /nfs/dbraw/zinc/24/25/56/242242556.db2.gz USEPJEIMGJEFTO-LSDHHAIUSA-N 2 1 293.455 3.153 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000459790094 242235324 /nfs/dbraw/zinc/23/53/24/242235324.db2.gz QTQJAQCUJFETIT-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000462803082 242365123 /nfs/dbraw/zinc/36/51/23/242365123.db2.gz NCLCDIGAKPCRTL-CRAIPNDOSA-N 2 1 272.436 3.192 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449178666 299385589 /nfs/dbraw/zinc/38/55/89/299385589.db2.gz XXVBZHLNZGQEPP-CWVYHPPDSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449178666 299385594 /nfs/dbraw/zinc/38/55/94/299385594.db2.gz XXVBZHLNZGQEPP-CWVYHPPDSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479534924 243111345 /nfs/dbraw/zinc/11/13/45/243111345.db2.gz FWCVTTCZPVCASO-WCZJQEMASA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479534924 243111348 /nfs/dbraw/zinc/11/13/48/243111348.db2.gz FWCVTTCZPVCASO-WCZJQEMASA-N 2 1 290.426 3.392 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000480658633 243160070 /nfs/dbraw/zinc/16/00/70/243160070.db2.gz BFVZMLZYIMPKQR-DZGCQCFKSA-N 2 1 296.405 3.360 20 0 CGADMP Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479961349 243132761 /nfs/dbraw/zinc/13/27/61/243132761.db2.gz RVVWZHAYEUBMAZ-KDURUIRLSA-N 2 1 292.426 3.313 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000482212755 243219917 /nfs/dbraw/zinc/21/99/17/243219917.db2.gz QNXLCIVZISWNID-SZMVWBNQSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000482212755 243219921 /nfs/dbraw/zinc/21/99/21/243219921.db2.gz QNXLCIVZISWNID-SZMVWBNQSA-N 2 1 272.436 3.082 20 0 CGADMP Fc1cc(Cl)cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000485705332 243339289 /nfs/dbraw/zinc/33/92/89/243339289.db2.gz OKPHVVMHHXEOAD-UHFFFAOYSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C/C=C\c2ccncc2)C1 ZINC000486951564 243384656 /nfs/dbraw/zinc/38/46/56/243384656.db2.gz SCTQPPZGPBCFNB-DANOYGIBSA-N 2 1 287.451 3.197 20 0 CGADMP C[C@@H](c1ccccc1F)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124958952 370928748 /nfs/dbraw/zinc/92/87/48/370928748.db2.gz YWVRTDKAKXVOBP-KBPBESRZSA-N 2 1 264.388 3.303 20 0 CGADMP CC(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019914613 368783592 /nfs/dbraw/zinc/78/35/92/368783592.db2.gz OWZZEZFKQNYKBP-OAHLLOKOSA-N 2 1 260.425 3.285 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000036908223 369036720 /nfs/dbraw/zinc/03/67/20/369036720.db2.gz SVQDQGQKRDKHMJ-KCYZZUKISA-N 2 1 260.425 3.108 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000037141069 369068290 /nfs/dbraw/zinc/06/82/90/369068290.db2.gz NTUKMKJZPLYINT-LBPRGKRZSA-N 2 1 262.372 3.103 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000037644371 369095230 /nfs/dbraw/zinc/09/52/30/369095230.db2.gz AVGATAKEBBVTGY-BZOOQXSSSA-N 2 1 276.399 3.003 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCSc1ccccc1 ZINC000037904183 369123698 /nfs/dbraw/zinc/12/36/98/369123698.db2.gz ZQDVNFBKQYNNDW-FMKPAKJESA-N 2 1 278.465 3.097 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000042277071 369210627 /nfs/dbraw/zinc/21/06/27/369210627.db2.gz QTLPGUMTIQGIDA-UHFFFAOYSA-N 2 1 290.451 3.436 20 0 CGADMP COCC(C)(C)C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000494047297 244260075 /nfs/dbraw/zinc/26/00/75/244260075.db2.gz IFSUAVSWCYIMSP-UHFFFAOYSA-N 2 1 292.467 3.289 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1F ZINC000494897008 244328399 /nfs/dbraw/zinc/32/83/99/244328399.db2.gz WYTXUJWUCNVXAF-XHBSWPGZSA-N 2 1 287.382 3.454 20 0 CGADMP CN1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201132 244367183 /nfs/dbraw/zinc/36/71/83/244367183.db2.gz MDQLIHPHDFDTLI-MAUKXSAKSA-N 2 1 296.414 3.473 20 0 CGADMP CN1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201132 244367188 /nfs/dbraw/zinc/36/71/88/244367188.db2.gz MDQLIHPHDFDTLI-MAUKXSAKSA-N 2 1 296.414 3.473 20 0 CGADMP CC1CCC([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000053344046 369482445 /nfs/dbraw/zinc/48/24/45/369482445.db2.gz XTXQDWQCSLVJML-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CC1CCC([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000053344046 369482450 /nfs/dbraw/zinc/48/24/50/369482450.db2.gz XTXQDWQCSLVJML-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2ccccc21 ZINC000052062075 369463187 /nfs/dbraw/zinc/46/31/87/369463187.db2.gz SLTSULWZJKGSJM-CZUORRHYSA-N 2 1 254.377 3.151 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149233 369477671 /nfs/dbraw/zinc/47/76/71/369477671.db2.gz TUKOILTWZRDDDZ-ZETOZRRWSA-N 2 1 284.806 3.297 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149233 369477674 /nfs/dbraw/zinc/47/76/74/369477674.db2.gz TUKOILTWZRDDDZ-ZETOZRRWSA-N 2 1 284.806 3.297 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000053155363 369479638 /nfs/dbraw/zinc/47/96/38/369479638.db2.gz IPKRLHQGMNGUHT-UHFFFAOYSA-N 2 1 270.779 3.053 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000061360589 369598396 /nfs/dbraw/zinc/59/83/96/369598396.db2.gz KSUSNIUQENXKOB-NDNKKMJESA-N 2 1 250.411 3.024 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000061360589 369598399 /nfs/dbraw/zinc/59/83/99/369598399.db2.gz KSUSNIUQENXKOB-NDNKKMJESA-N 2 1 250.411 3.024 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000062019024 369615183 /nfs/dbraw/zinc/61/51/83/369615183.db2.gz GJGNQEWZQCUOQT-CYBMUJFWSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000062077717 369617932 /nfs/dbraw/zinc/61/79/32/369617932.db2.gz APGFBAPQALUPTA-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062077589 369618157 /nfs/dbraw/zinc/61/81/57/369618157.db2.gz WVSNEVSRQNPOCO-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CCCc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000063200885 369644893 /nfs/dbraw/zinc/64/48/93/369644893.db2.gz LYACEUPMBNNDRG-OAHLLOKOSA-N 2 1 293.480 3.060 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000069754346 369770876 /nfs/dbraw/zinc/77/08/76/369770876.db2.gz BFOSNCOOMZEJGE-WFASDCNBSA-N 2 1 273.380 3.088 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079977495 369980415 /nfs/dbraw/zinc/98/04/15/369980415.db2.gz RCNQTLPTEYCNDX-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043400 370090370 /nfs/dbraw/zinc/09/03/70/370090370.db2.gz SQFULSYJYUOQIO-XOSAIJSUSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043400 370090372 /nfs/dbraw/zinc/09/03/72/370090372.db2.gz SQFULSYJYUOQIO-XOSAIJSUSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@H]1C[C@H]1c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000092043400 370090373 /nfs/dbraw/zinc/09/03/73/370090373.db2.gz SQFULSYJYUOQIO-XOSAIJSUSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@H]1C[C@H]1c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000092043400 370090375 /nfs/dbraw/zinc/09/03/75/370090375.db2.gz SQFULSYJYUOQIO-XOSAIJSUSA-N 2 1 288.435 3.319 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2CC=CCC2)[C@H](C)C1 ZINC000093638743 370151769 /nfs/dbraw/zinc/15/17/69/370151769.db2.gz GMVZQJFTSITUDC-OWCLPIDISA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2CC=CCC2)[C@H](C)C1 ZINC000093638743 370151771 /nfs/dbraw/zinc/15/17/71/370151771.db2.gz GMVZQJFTSITUDC-OWCLPIDISA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2CC=CCC2)[C@H](C)C1 ZINC000093638743 370151774 /nfs/dbraw/zinc/15/17/74/370151774.db2.gz GMVZQJFTSITUDC-OWCLPIDISA-N 2 1 250.430 3.005 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@H]3CC[NH3+])ccc2n1 ZINC000097862641 370256089 /nfs/dbraw/zinc/25/60/89/370256089.db2.gz QJIBSSJCKBBEII-KRWDZBQOSA-N 2 1 283.419 3.247 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512050562 245016257 /nfs/dbraw/zinc/01/62/57/245016257.db2.gz CVYZHASGUJENSQ-UYWPIULCSA-N 2 1 294.389 3.300 20 0 CGADMP Cc1ccc2c(C)cc(N3CCC([NH+](C)C)CC3)[nH+]c2c1 ZINC000513135257 245067195 /nfs/dbraw/zinc/06/71/95/245067195.db2.gz IJKCLNLOUVJCFH-UHFFFAOYSA-N 2 1 283.419 3.382 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000129767615 370999506 /nfs/dbraw/zinc/99/95/06/370999506.db2.gz UYYZNJFEPUWDCP-CRAIPNDOSA-N 2 1 299.418 3.365 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3ncccc3c2)CCN1C ZINC000130644853 371047951 /nfs/dbraw/zinc/04/79/51/371047951.db2.gz JXVNCPYTQUSJOX-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000130644853 371047955 /nfs/dbraw/zinc/04/79/55/371047955.db2.gz JXVNCPYTQUSJOX-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3ncccc3c2)CC[NH+]1C ZINC000130644853 371047967 /nfs/dbraw/zinc/04/79/67/371047967.db2.gz JXVNCPYTQUSJOX-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000131934238 371140660 /nfs/dbraw/zinc/14/06/60/371140660.db2.gz QHVHEIXTTWFRKO-SJORKVTESA-N 2 1 252.361 3.229 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000131739343 371126643 /nfs/dbraw/zinc/12/66/43/371126643.db2.gz DOSDGTXNXXVGER-ZFWWWQNUSA-N 2 1 254.377 3.009 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131758503 371128536 /nfs/dbraw/zinc/12/85/36/371128536.db2.gz WZJZDECFVZJJEU-WOPDTQHZSA-N 2 1 252.789 3.070 20 0 CGADMP Cc1ccsc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132181232 371156920 /nfs/dbraw/zinc/15/69/20/371156920.db2.gz LHYJBABNRNIAOX-KGLIPLIRSA-N 2 1 258.390 3.291 20 0 CGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)CC(C)C ZINC000132914495 371212736 /nfs/dbraw/zinc/21/27/36/371212736.db2.gz NHQTZMDNIAYTDC-KURKYZTESA-N 2 1 297.531 3.063 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000133310435 371242451 /nfs/dbraw/zinc/24/24/51/371242451.db2.gz PSIMXRHHUIFQBS-NVXWUHKLSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1OC(F)F ZINC000133692876 371273365 /nfs/dbraw/zinc/27/33/65/371273365.db2.gz QTICLGOJDUFRCS-NEPJUHHUSA-N 2 1 284.350 3.081 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000152001875 371665111 /nfs/dbraw/zinc/66/51/11/371665111.db2.gz ASTRFRKPQDDTJL-ZMSDIMECSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC[N@@H+]1C ZINC000337341983 214019921 /nfs/dbraw/zinc/01/99/21/214019921.db2.gz QYCWVGRGJONYRD-CYGHRXIMSA-N 2 1 287.451 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC[N@H+]1C ZINC000337341983 214019923 /nfs/dbraw/zinc/01/99/23/214019923.db2.gz QYCWVGRGJONYRD-CYGHRXIMSA-N 2 1 287.451 3.180 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422693245 371756251 /nfs/dbraw/zinc/75/62/51/371756251.db2.gz LOOUJORRJJNWHX-QZTJIDSGSA-N 2 1 290.451 3.363 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000422702096 371758973 /nfs/dbraw/zinc/75/89/73/371758973.db2.gz DDXIKUSSXIEGND-LBPRGKRZSA-N 2 1 287.382 3.262 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422736560 371774194 /nfs/dbraw/zinc/77/41/94/371774194.db2.gz GNYYGPGUOVOHTG-ROUUACIJSA-N 2 1 296.414 3.498 20 0 CGADMP C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000422762780 371793137 /nfs/dbraw/zinc/79/31/37/371793137.db2.gz MTQYHFQBFISCCF-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000337340010 214016108 /nfs/dbraw/zinc/01/61/08/214016108.db2.gz OZGOLDJPKQTVPI-KBAYOESNSA-N 2 1 287.451 3.038 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000337340235 214016127 /nfs/dbraw/zinc/01/61/27/214016127.db2.gz PFQJOKKPPGYPNX-SJORKVTESA-N 2 1 292.467 3.300 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422827971 371831157 /nfs/dbraw/zinc/83/11/57/371831157.db2.gz AHFYZOZGYMNODQ-XKQJLSEDSA-N 2 1 290.476 3.137 20 0 CGADMP C[C@@H]([NH2+]CCc1ccccc1Cl)c1c[nH+]ccc1N ZINC000422776271 371799285 /nfs/dbraw/zinc/79/92/85/371799285.db2.gz CMRDHPFLIDKTSO-LLVKDONJSA-N 2 1 275.783 3.041 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)on1 ZINC000422782599 371803748 /nfs/dbraw/zinc/80/37/48/371803748.db2.gz JUMKOOFEDBKCMI-DOMZBBRYSA-N 2 1 279.428 3.056 20 0 CGADMP CC(C)COCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422788262 371808850 /nfs/dbraw/zinc/80/88/50/371808850.db2.gz QWNHHRNMIFFKKA-QZTJIDSGSA-N 2 1 290.451 3.132 20 0 CGADMP CCOc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422815380 371827022 /nfs/dbraw/zinc/82/70/22/371827022.db2.gz XOWOQINTNODGBF-WMLDXEAASA-N 2 1 290.451 3.370 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OC(C)C)c1 ZINC000422873743 371849120 /nfs/dbraw/zinc/84/91/20/371849120.db2.gz LZFLYPXAUMDCTL-INIZCTEOSA-N 2 1 276.424 3.014 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCS1 ZINC000422876255 371849973 /nfs/dbraw/zinc/84/99/73/371849973.db2.gz QCZGIDGSUHUVAL-BRWVUGGUSA-N 2 1 290.476 3.355 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422889419 371855459 /nfs/dbraw/zinc/85/54/59/371855459.db2.gz PLQQRWUHYBMVBM-FGTMMUONSA-N 2 1 294.398 3.417 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000422920926 371869878 /nfs/dbraw/zinc/86/98/78/371869878.db2.gz NXWMIHOSZAGESL-GUBZILKMSA-N 2 1 258.768 3.256 20 0 CGADMP COc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(F)c1 ZINC000422927303 371875401 /nfs/dbraw/zinc/87/54/01/371875401.db2.gz GAUKWFIKKPNSSH-UKRRQHHQSA-N 2 1 294.414 3.235 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940635 371881286 /nfs/dbraw/zinc/88/12/86/371881286.db2.gz HHJROGKIGWKNQI-LSDHHAIUSA-N 2 1 298.377 3.080 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccccc1F)c1c[nH+]ccc1N ZINC000422848881 371838417 /nfs/dbraw/zinc/83/84/17/371838417.db2.gz KVBRHZDURXBMMR-GFCCVEGCSA-N 2 1 287.382 3.262 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422850364 371840031 /nfs/dbraw/zinc/84/00/31/371840031.db2.gz CZUOZJOMBANSNT-JKSUJKDBSA-N 2 1 296.455 3.438 20 0 CGADMP CC(C)CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000154375043 371841302 /nfs/dbraw/zinc/84/13/02/371841302.db2.gz HQOAFXPTBSOHCP-ROUUACIJSA-N 2 1 292.467 3.066 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CC3(C)C)sc2C1 ZINC000344101509 217049462 /nfs/dbraw/zinc/04/94/62/217049462.db2.gz FCWOTMDKTCQMHD-LBPRGKRZSA-N 2 1 293.480 3.045 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CC3(C)C)sc2C1 ZINC000344101509 217049463 /nfs/dbraw/zinc/04/94/63/217049463.db2.gz FCWOTMDKTCQMHD-LBPRGKRZSA-N 2 1 293.480 3.045 20 0 CGADMP COc1ccc(F)cc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423063012 371941894 /nfs/dbraw/zinc/94/18/94/371941894.db2.gz OFBRQCIROKZMSV-BBRMVZONSA-N 2 1 294.414 3.235 20 0 CGADMP COc1ccc(F)cc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423063014 371942120 /nfs/dbraw/zinc/94/21/20/371942120.db2.gz OFBRQCIROKZMSV-CJNGLKHVSA-N 2 1 294.414 3.235 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290045270 371887936 /nfs/dbraw/zinc/88/79/36/371887936.db2.gz DSHRCUUMDUSJLV-LHHMISFZSA-N 2 1 290.451 3.053 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290045270 371887938 /nfs/dbraw/zinc/88/79/38/371887938.db2.gz DSHRCUUMDUSJLV-LHHMISFZSA-N 2 1 290.451 3.053 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000422985388 371903179 /nfs/dbraw/zinc/90/31/79/371903179.db2.gz DNPDHBYBALKGAF-BQBZGAKWSA-N 2 1 267.225 3.270 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422986350 371903198 /nfs/dbraw/zinc/90/31/98/371903198.db2.gz CEZGXTSUZOSACG-AWEZNQCLSA-N 2 1 299.418 3.176 20 0 CGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423013285 371914631 /nfs/dbraw/zinc/91/46/31/371914631.db2.gz MMRNMUYMLFAOBD-DOMZBBRYSA-N 2 1 296.842 3.011 20 0 CGADMP C[C@H]([NH2+]CC1CCC(C)(C)CC1)c1c[nH+]ccc1N ZINC000423008772 371915010 /nfs/dbraw/zinc/91/50/10/371915010.db2.gz AXUCXDOARVKFCE-LBPRGKRZSA-N 2 1 261.413 3.361 20 0 CGADMP CCCCCn1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(C)n1 ZINC000423025851 371922192 /nfs/dbraw/zinc/92/21/92/371922192.db2.gz PGCYBYMJOSNRFR-DLBZAZTESA-N 2 1 292.471 3.131 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423030118 371924291 /nfs/dbraw/zinc/92/42/91/371924291.db2.gz JCJQUOVOHGDXGZ-SQNIBIBYSA-N 3 1 295.515 3.151 20 0 CGADMP Cn1cncc1CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000290186666 371927032 /nfs/dbraw/zinc/92/70/32/371927032.db2.gz ZRGBCVWPJUQMQA-HNNXBMFYSA-N 2 1 273.380 3.173 20 0 CGADMP COCC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccco1 ZINC000423046621 371931517 /nfs/dbraw/zinc/93/15/17/371931517.db2.gz UFLVGVHBSZSBLY-JYJNAYRXSA-N 2 1 294.439 3.258 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000290200606 371931879 /nfs/dbraw/zinc/93/18/79/371931879.db2.gz CWMAWZOHPXZAJY-KRWDZBQOSA-N 2 1 289.467 3.033 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C)c1c[nH+]ccc1N ZINC000423093610 371958326 /nfs/dbraw/zinc/95/83/26/371958326.db2.gz IEPBDMRPLWZSPR-CRWXNKLISA-N 2 1 261.413 3.217 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)c1ncccc1C)[C@H]1CCCC[NH2+]1 ZINC000423143228 371989571 /nfs/dbraw/zinc/98/95/71/371989571.db2.gz WNGWXSYTQCBEEQ-JKSUJKDBSA-N 2 1 289.467 3.178 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146079 371991265 /nfs/dbraw/zinc/99/12/65/371991265.db2.gz NXULMFRTXMBMDG-BRXULGCHSA-N 2 1 278.827 3.174 20 0 CGADMP Cc1cscc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423091683 371956818 /nfs/dbraw/zinc/95/68/18/371956818.db2.gz YDULBEVVFWUJGP-CZUORRHYSA-N 2 1 274.433 3.105 20 0 CGADMP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CC[NH3+])cc1C ZINC000423188712 372015622 /nfs/dbraw/zinc/01/56/22/372015622.db2.gz QCDWPMMHDPEAMA-GOSISDBHSA-N 2 1 268.404 3.136 20 0 CGADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423189734 372017515 /nfs/dbraw/zinc/01/75/15/372017515.db2.gz RHHDAGYRCJWWFK-ZDUSSCGKSA-N 2 1 270.376 3.349 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]1C(C)(C)C)c1c[nH+]ccc1N ZINC000423192283 372017606 /nfs/dbraw/zinc/01/76/06/372017606.db2.gz UJCMFZNWVIVLQC-LNSITVRQSA-N 2 1 261.413 3.360 20 0 CGADMP C[C@H](CC[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000290575852 372021484 /nfs/dbraw/zinc/02/14/84/372021484.db2.gz UCDMBHWQFWQKBR-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000290575852 372021496 /nfs/dbraw/zinc/02/14/96/372021496.db2.gz UCDMBHWQFWQKBR-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000290575852 372021502 /nfs/dbraw/zinc/02/15/02/372021502.db2.gz UCDMBHWQFWQKBR-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000290575852 372021508 /nfs/dbraw/zinc/02/15/08/372021508.db2.gz UCDMBHWQFWQKBR-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000423198672 372023149 /nfs/dbraw/zinc/02/31/49/372023149.db2.gz HDGWCFYPYJCFHB-INIZCTEOSA-N 2 1 276.424 3.223 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581931 372023365 /nfs/dbraw/zinc/02/33/65/372023365.db2.gz UPYFFEBHUKGHRQ-IAQYHMDHSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581931 372023369 /nfs/dbraw/zinc/02/33/69/372023369.db2.gz UPYFFEBHUKGHRQ-IAQYHMDHSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581931 372023372 /nfs/dbraw/zinc/02/33/72/372023372.db2.gz UPYFFEBHUKGHRQ-IAQYHMDHSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581931 372023374 /nfs/dbraw/zinc/02/33/74/372023374.db2.gz UPYFFEBHUKGHRQ-IAQYHMDHSA-N 2 1 284.806 3.251 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000157613163 372029223 /nfs/dbraw/zinc/02/92/23/372029223.db2.gz OFPVVFGNZOANTP-CWLKWCNXSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ncccc2c1 ZINC000290620657 372029763 /nfs/dbraw/zinc/02/97/63/372029763.db2.gz XGKLURMCQHRHJJ-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ncccc2c1 ZINC000290620657 372029767 /nfs/dbraw/zinc/02/97/67/372029767.db2.gz XGKLURMCQHRHJJ-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2ncccc2c1 ZINC000290620657 372029770 /nfs/dbraw/zinc/02/97/70/372029770.db2.gz XGKLURMCQHRHJJ-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000290620657 372029776 /nfs/dbraw/zinc/02/97/76/372029776.db2.gz XGKLURMCQHRHJJ-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000423331234 372052832 /nfs/dbraw/zinc/05/28/32/372052832.db2.gz PYJOGNITPAQSQT-CRAIPNDOSA-N 2 1 268.404 3.297 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423340799 372053897 /nfs/dbraw/zinc/05/38/97/372053897.db2.gz XJZSXFUHXMERNE-ZWNOBZJWSA-N 2 1 260.406 3.216 20 0 CGADMP COC[C@]1(C[NH2+][C@H]2CC[C@H](C)c3ccsc32)CCC[NH2+]1 ZINC000423411571 372062085 /nfs/dbraw/zinc/06/20/85/372062085.db2.gz GAFZTMYRYAEQBI-DUVNUKRYSA-N 2 1 294.464 3.045 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423175107 372005183 /nfs/dbraw/zinc/00/51/83/372005183.db2.gz CZBAZOZPEMLADG-ZDUSSCGKSA-N 2 1 262.397 3.007 20 0 CGADMP CC(C)CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccoc1 ZINC000423180117 372009675 /nfs/dbraw/zinc/00/96/75/372009675.db2.gz IDROKLRLEMEEEK-OAHLLOKOSA-N 2 1 250.386 3.099 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)o1 ZINC000290529209 372011154 /nfs/dbraw/zinc/01/11/54/372011154.db2.gz QOWYVLSKPJRWFQ-UHFFFAOYSA-N 2 1 275.396 3.259 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)o1 ZINC000290529209 372011160 /nfs/dbraw/zinc/01/11/60/372011160.db2.gz QOWYVLSKPJRWFQ-UHFFFAOYSA-N 2 1 275.396 3.259 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184881 372013711 /nfs/dbraw/zinc/01/37/11/372013711.db2.gz IVOOQSJSKZYODE-MRXNPFEDSA-N 2 1 283.419 3.221 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCOC1 ZINC000159222032 372118698 /nfs/dbraw/zinc/11/86/98/372118698.db2.gz DCAZXMMUHVZBKF-JQHSSLGASA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000423503633 372070041 /nfs/dbraw/zinc/07/00/41/372070041.db2.gz FZHBOIZHIIFSLJ-ZSYWTGECSA-N 2 1 284.447 3.300 20 0 CGADMP CCC[C@H](NC[C@@H]1CC[N@@H+](CCC)C1)c1ccccn1 ZINC000158769973 372085335 /nfs/dbraw/zinc/08/53/35/372085335.db2.gz OKVWHZBEXXHEOS-HOTGVXAUSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1ccccn1 ZINC000158769973 372085343 /nfs/dbraw/zinc/08/53/43/372085343.db2.gz OKVWHZBEXXHEOS-HOTGVXAUSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ccccn1 ZINC000158769973 372085352 /nfs/dbraw/zinc/08/53/52/372085352.db2.gz OKVWHZBEXXHEOS-HOTGVXAUSA-N 2 1 275.440 3.244 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000424373321 372085411 /nfs/dbraw/zinc/08/54/11/372085411.db2.gz JNBVTQBVJDOCGG-QLFBSQMISA-N 2 1 264.800 3.187 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C2CCC2)o1 ZINC000425936462 372146230 /nfs/dbraw/zinc/14/62/30/372146230.db2.gz MVVKVJGMTRWRIA-MLGOLLRUSA-N 2 1 264.413 3.217 20 0 CGADMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000344303297 217140929 /nfs/dbraw/zinc/14/09/29/217140929.db2.gz SWSUJHVRTJYKGR-KRWDZBQOSA-N 2 1 258.409 3.379 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000162119667 372374858 /nfs/dbraw/zinc/37/48/58/372374858.db2.gz LZFGAPQZXQKWAJ-HLLBOEOZSA-N 2 1 260.425 3.028 20 0 CGADMP CC1=C[C@H](C)C[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000430873619 372397353 /nfs/dbraw/zinc/39/73/53/372397353.db2.gz VIZPFPXFNLYCPO-LBPRGKRZSA-N 2 1 273.405 3.332 20 0 CGADMP CCCCc1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1 ZINC000430917949 372404874 /nfs/dbraw/zinc/40/48/74/372404874.db2.gz FMQJBQIZGPNPHX-LBPRGKRZSA-N 2 1 281.469 3.045 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1nccc2ccccc21 ZINC000293364242 372366048 /nfs/dbraw/zinc/36/60/48/372366048.db2.gz HORQVIZFVOCCIJ-UONOGXRCSA-N 2 1 271.408 3.083 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C)c2C)C1 ZINC000163231152 372455237 /nfs/dbraw/zinc/45/52/37/372455237.db2.gz CHWVYIRYHLASJU-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1cc2ccccc2o1)C[NH+](C)C ZINC000293827207 372493644 /nfs/dbraw/zinc/49/36/44/372493644.db2.gz WJAKRMCVAINXAD-CHWSQXEVSA-N 2 1 260.381 3.281 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1csc(Cl)c1)C[NH+](C)C ZINC000293893711 372514556 /nfs/dbraw/zinc/51/45/56/372514556.db2.gz ZHEKTPWJPSVENC-NXEZZACHSA-N 2 1 260.834 3.250 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000165339622 372549341 /nfs/dbraw/zinc/54/93/41/372549341.db2.gz IOVVUUKFZVYZIB-MJGOQNOKSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000432789309 372571546 /nfs/dbraw/zinc/57/15/46/372571546.db2.gz RAYBAOYOQPGSHH-AWEZNQCLSA-N 2 1 296.418 3.340 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432799785 372574334 /nfs/dbraw/zinc/57/43/34/372574334.db2.gz ZOFNZRBDFFJXPY-ULQDDVLXSA-N 2 1 264.457 3.395 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167117359 372589891 /nfs/dbraw/zinc/58/98/91/372589891.db2.gz OUBIHQXLYJXEAG-LRDDRELGSA-N 2 1 296.455 3.119 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000434778512 372709221 /nfs/dbraw/zinc/70/92/21/372709221.db2.gz ROFDGQRPVDKOKU-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](Cc1cnc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435372183 372753486 /nfs/dbraw/zinc/75/34/86/372753486.db2.gz QFUHZVFJDBHNKT-KRWDZBQOSA-N 2 1 283.419 3.199 20 0 CGADMP CSCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171501510 372774157 /nfs/dbraw/zinc/77/41/57/372774157.db2.gz UWCJCRJDHAPNOL-UHFFFAOYSA-N 2 1 292.492 3.193 20 0 CGADMP Cc1cnccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295433292 372779540 /nfs/dbraw/zinc/77/95/40/372779540.db2.gz OVKVQOBIVWBADJ-DOTOQJQBSA-N 2 1 287.451 3.133 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000435875736 372823812 /nfs/dbraw/zinc/82/38/12/372823812.db2.gz UHMKYWJUSKECLR-RDJZCZTQSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000353449710 220090210 /nfs/dbraw/zinc/09/02/10/220090210.db2.gz RONLYFAZRAREQJ-USXIJHARSA-N 2 1 276.399 3.097 20 0 CGADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438185510 372908526 /nfs/dbraw/zinc/90/85/26/372908526.db2.gz ZSYUORUHYVIVFQ-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438185510 372908540 /nfs/dbraw/zinc/90/85/40/372908540.db2.gz ZSYUORUHYVIVFQ-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)c(F)c(F)c1 ZINC000295802976 372916089 /nfs/dbraw/zinc/91/60/89/372916089.db2.gz AKAXURGXIUUHCW-SMHCIBLRSA-N 2 1 298.352 3.380 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)c(F)c(F)c1 ZINC000295802976 372916093 /nfs/dbraw/zinc/91/60/93/372916093.db2.gz AKAXURGXIUUHCW-SMHCIBLRSA-N 2 1 298.352 3.380 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CC3CC3)CCCC2)CC1 ZINC000344741098 217295943 /nfs/dbraw/zinc/29/59/43/217295943.db2.gz HLCBZVWETHXDMT-OAHLLOKOSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000172851229 373048804 /nfs/dbraw/zinc/04/88/04/373048804.db2.gz RSYABDRHAJTAMU-QWHCGFSZSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCc2c(F)cccc2Cl)CC[N@H+]1C ZINC000172851229 373048809 /nfs/dbraw/zinc/04/88/09/373048809.db2.gz RSYABDRHAJTAMU-QWHCGFSZSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCc2c(F)cccc2Cl)CC[NH+]1C ZINC000172851229 373048810 /nfs/dbraw/zinc/04/88/10/373048810.db2.gz RSYABDRHAJTAMU-QWHCGFSZSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCc2c(F)cccc2Cl)CC[NH+]1C ZINC000172851229 373048814 /nfs/dbraw/zinc/04/88/14/373048814.db2.gz RSYABDRHAJTAMU-QWHCGFSZSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000172841772 373045922 /nfs/dbraw/zinc/04/59/22/373045922.db2.gz MDYDOEJYXUMHRK-DOMZBBRYSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000172841772 373045928 /nfs/dbraw/zinc/04/59/28/373045928.db2.gz MDYDOEJYXUMHRK-DOMZBBRYSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000172841772 373045933 /nfs/dbraw/zinc/04/59/33/373045933.db2.gz MDYDOEJYXUMHRK-DOMZBBRYSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000172841772 373045937 /nfs/dbraw/zinc/04/59/37/373045937.db2.gz MDYDOEJYXUMHRK-DOMZBBRYSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1cccc2ccccc21 ZINC000442780558 373078526 /nfs/dbraw/zinc/07/85/26/373078526.db2.gz NZRLJYCHADGVRR-HOTGVXAUSA-N 2 1 282.431 3.442 20 0 CGADMP Cc1cnccc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000296325300 373091696 /nfs/dbraw/zinc/09/16/96/373091696.db2.gz HIFCPZIAIAZPNT-MRXNPFEDSA-N 2 1 275.440 3.134 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccc2ccccc2c1 ZINC000442759986 373071866 /nfs/dbraw/zinc/07/18/66/373071866.db2.gz MMTBBPCMXAAPBK-ZBFHGGJFSA-N 2 1 268.404 3.051 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CC(C)(C)C)cn1 ZINC000296493051 373152720 /nfs/dbraw/zinc/15/27/20/373152720.db2.gz QNZCWJPLLFTBRQ-ZDUSSCGKSA-N 2 1 286.423 3.490 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000353565300 220160338 /nfs/dbraw/zinc/16/03/38/220160338.db2.gz BDULEEITWMNHHU-NUJGCVRESA-N 2 1 289.467 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000353565300 220160341 /nfs/dbraw/zinc/16/03/41/220160341.db2.gz BDULEEITWMNHHU-NUJGCVRESA-N 2 1 289.467 3.426 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000173386447 373133772 /nfs/dbraw/zinc/13/37/72/373133772.db2.gz KILXWVKYBUJFGW-ZIAGYGMSSA-N 2 1 257.381 3.178 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000296632091 373202142 /nfs/dbraw/zinc/20/21/42/373202142.db2.gz XLSJTDDCMTXPQG-PRTUASRFSA-N 2 1 264.438 3.332 20 0 CGADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444681196 373232850 /nfs/dbraw/zinc/23/28/50/373232850.db2.gz YTBLYDOCLITNRJ-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000445255204 373305824 /nfs/dbraw/zinc/30/58/24/373305824.db2.gz SEKCRFJCIPCENC-HNNXBMFYSA-N 2 1 280.431 3.420 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000353627220 220203911 /nfs/dbraw/zinc/20/39/11/220203911.db2.gz ZSRZSPAADZZSEM-ARFHVFGLSA-N 2 1 270.436 3.225 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000353627220 220203914 /nfs/dbraw/zinc/20/39/14/220203914.db2.gz ZSRZSPAADZZSEM-ARFHVFGLSA-N 2 1 270.436 3.225 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000299625866 373586400 /nfs/dbraw/zinc/58/64/00/373586400.db2.gz MOKUWOMEGNOELA-UHFFFAOYSA-N 2 1 272.436 3.179 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000300243211 373621904 /nfs/dbraw/zinc/62/19/04/373621904.db2.gz KHOLEXJBFRZWBU-CABCVRRESA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000300243211 373621911 /nfs/dbraw/zinc/62/19/11/373621911.db2.gz KHOLEXJBFRZWBU-CABCVRRESA-N 2 1 278.827 3.365 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000300410030 373626685 /nfs/dbraw/zinc/62/66/85/373626685.db2.gz DGPDFUPFVRYFGW-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000300410030 373626687 /nfs/dbraw/zinc/62/66/87/373626687.db2.gz DGPDFUPFVRYFGW-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000300078578 373618083 /nfs/dbraw/zinc/61/80/83/373618083.db2.gz MBLWCMUHBLLFKB-QMCVQRASSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000300079915 373620026 /nfs/dbraw/zinc/62/00/26/373620026.db2.gz YPLBKEKKVCZBIT-QMCVQRASSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000300079915 373620038 /nfs/dbraw/zinc/62/00/38/373620038.db2.gz YPLBKEKKVCZBIT-QMCVQRASSA-N 2 1 262.441 3.195 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc2ccccc2n1 ZINC000178030271 373738308 /nfs/dbraw/zinc/73/83/08/373738308.db2.gz RPZFFFRFHXFFFD-HUUCEWRRSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2ccccc2n1 ZINC000178030271 373738314 /nfs/dbraw/zinc/73/83/14/373738314.db2.gz RPZFFFRFHXFFFD-HUUCEWRRSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000178030271 373738321 /nfs/dbraw/zinc/73/83/21/373738321.db2.gz RPZFFFRFHXFFFD-HUUCEWRRSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccoc1 ZINC000178187719 373752831 /nfs/dbraw/zinc/75/28/31/373752831.db2.gz QORXZEQNRQCUTJ-AWEZNQCLSA-N 2 1 288.391 3.071 20 0 CGADMP Clc1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178781410 373810260 /nfs/dbraw/zinc/81/02/60/373810260.db2.gz WHOUUGMHZDRLTI-IUODEOHRSA-N 2 1 291.826 3.188 20 0 CGADMP Clc1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178781410 373810268 /nfs/dbraw/zinc/81/02/68/373810268.db2.gz WHOUUGMHZDRLTI-IUODEOHRSA-N 2 1 291.826 3.188 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178974474 373822170 /nfs/dbraw/zinc/82/21/70/373822170.db2.gz NPSWTMLKQMKRGN-DOTOQJQBSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000178620664 373800371 /nfs/dbraw/zinc/80/03/71/373800371.db2.gz ZMNTZMLMPAESJG-WMZOPIPTSA-N 2 1 298.430 3.495 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000178620664 373800380 /nfs/dbraw/zinc/80/03/80/373800380.db2.gz ZMNTZMLMPAESJG-WMZOPIPTSA-N 2 1 298.430 3.495 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(c3ccnc4cc(F)ccc43)CC[C@H]21 ZINC000301721889 373801408 /nfs/dbraw/zinc/80/14/08/373801408.db2.gz QXFIDPNURJBTGS-SUMWQHHRSA-N 2 1 299.393 3.294 20 0 CGADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(F)ccc43)CC[C@H]21 ZINC000301721889 373801413 /nfs/dbraw/zinc/80/14/13/373801413.db2.gz QXFIDPNURJBTGS-SUMWQHHRSA-N 2 1 299.393 3.294 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(F)ccc43)CC[C@H]21 ZINC000301721889 373801418 /nfs/dbraw/zinc/80/14/18/373801418.db2.gz QXFIDPNURJBTGS-SUMWQHHRSA-N 2 1 299.393 3.294 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000449783619 373912904 /nfs/dbraw/zinc/91/29/04/373912904.db2.gz QKZCAYGTYHZTQB-DLBZAZTESA-N 2 1 272.436 3.254 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000449783619 373912915 /nfs/dbraw/zinc/91/29/15/373912915.db2.gz QKZCAYGTYHZTQB-DLBZAZTESA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449785045 373916062 /nfs/dbraw/zinc/91/60/62/373916062.db2.gz ZNEWEIKZSRBLPG-OAHLLOKOSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449785045 373916069 /nfs/dbraw/zinc/91/60/69/373916069.db2.gz ZNEWEIKZSRBLPG-OAHLLOKOSA-N 2 1 290.451 3.177 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+](C)C ZINC000302704156 373933559 /nfs/dbraw/zinc/93/35/59/373933559.db2.gz WLYNBSDOQHTXGK-JJXSEGSLSA-N 2 1 252.446 3.131 20 0 CGADMP CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc3nccn32)C12CCC2 ZINC000180749061 374040968 /nfs/dbraw/zinc/04/09/68/374040968.db2.gz CGWJSDXOJFALSU-HOTGVXAUSA-N 2 1 299.418 3.114 20 0 CGADMP Clc1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000450428942 374120909 /nfs/dbraw/zinc/12/09/09/374120909.db2.gz JTZDBKMKLIYADN-INIZCTEOSA-N 2 1 292.854 3.300 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448769 374135077 /nfs/dbraw/zinc/13/50/77/374135077.db2.gz DKZXDDGUTJWBQV-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP CCc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000450384942 374095734 /nfs/dbraw/zinc/09/57/34/374095734.db2.gz BSICAFCPWFLMON-RDTXWAMCSA-N 2 1 285.435 3.097 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2=CCCCC2)CCN1C ZINC000450465731 374148802 /nfs/dbraw/zinc/14/88/02/374148802.db2.gz GLJXVDGLIDKEBU-HOCLYGCPSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCC2=CCCCC2)CC[N@@H+]1C ZINC000450465731 374148809 /nfs/dbraw/zinc/14/88/09/374148809.db2.gz GLJXVDGLIDKEBU-HOCLYGCPSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCC2=CCCCC2)CC[N@H+]1C ZINC000450465731 374148816 /nfs/dbraw/zinc/14/88/16/374148816.db2.gz GLJXVDGLIDKEBU-HOCLYGCPSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC000450465731 374148819 /nfs/dbraw/zinc/14/88/19/374148819.db2.gz GLJXVDGLIDKEBU-HOCLYGCPSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC000450465731 374148828 /nfs/dbraw/zinc/14/88/28/374148828.db2.gz GLJXVDGLIDKEBU-HOCLYGCPSA-N 2 1 250.430 3.291 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309745776 374194123 /nfs/dbraw/zinc/19/41/23/374194123.db2.gz UENWQAJSPQVDBV-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000182028074 374207794 /nfs/dbraw/zinc/20/77/94/374207794.db2.gz GUVHWQSNDRLVHW-MOPGFXCFSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000182028074 374207800 /nfs/dbraw/zinc/20/78/00/374207800.db2.gz GUVHWQSNDRLVHW-MOPGFXCFSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182051427 374211137 /nfs/dbraw/zinc/21/11/37/374211137.db2.gz FXRSCOVZSRXVCV-HZPDHXFCSA-N 2 1 285.435 3.296 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccccc1F ZINC000310763149 374222972 /nfs/dbraw/zinc/22/29/72/374222972.db2.gz NBTMEOZAURISQH-DOMZBBRYSA-N 2 1 252.377 3.064 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCCOC(C)(C)C ZINC000452100469 374234981 /nfs/dbraw/zinc/23/49/81/374234981.db2.gz ZZBWDMQSULTBGS-UHFFFAOYSA-N 2 1 270.461 3.046 20 0 CGADMP CO[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000182220866 374239288 /nfs/dbraw/zinc/23/92/88/374239288.db2.gz UXCIUWJXHHVSPS-JFIYKMOQSA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000182220866 374239297 /nfs/dbraw/zinc/23/92/97/374239297.db2.gz UXCIUWJXHHVSPS-JFIYKMOQSA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000182220866 374239304 /nfs/dbraw/zinc/23/93/04/374239304.db2.gz UXCIUWJXHHVSPS-JFIYKMOQSA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000182220866 374239314 /nfs/dbraw/zinc/23/93/14/374239314.db2.gz UXCIUWJXHHVSPS-JFIYKMOQSA-N 2 1 290.451 3.006 20 0 CGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1c(C)noc1C ZINC000182504599 374284121 /nfs/dbraw/zinc/28/41/21/374284121.db2.gz PAKBJXJGOXYVPM-HNNXBMFYSA-N 2 1 290.411 3.317 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C)on2)CC1 ZINC000182786630 374326431 /nfs/dbraw/zinc/32/64/31/374326431.db2.gz FAOSISUFRRKQTA-UHFFFAOYSA-N 2 1 293.455 3.317 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461599 541921101 /nfs/dbraw/zinc/92/11/01/541921101.db2.gz VLKYVGMACWXQOG-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461599 541921103 /nfs/dbraw/zinc/92/11/03/541921103.db2.gz VLKYVGMACWXQOG-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461599 541921108 /nfs/dbraw/zinc/92/11/08/541921108.db2.gz VLKYVGMACWXQOG-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP c1cnc2c(c1)cccc2C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000316481020 374333805 /nfs/dbraw/zinc/33/38/05/374333805.db2.gz WUYRASWBJLSGAG-ROUUACIJSA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000316481020 374333811 /nfs/dbraw/zinc/33/38/11/374333811.db2.gz WUYRASWBJLSGAG-ROUUACIJSA-N 2 1 295.430 3.341 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000183047316 374361210 /nfs/dbraw/zinc/36/12/10/374361210.db2.gz PNCOAPHDAWNNMC-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453075866 374362961 /nfs/dbraw/zinc/36/29/61/374362961.db2.gz IRDDSWNSXGXCFE-GBESFXJTSA-N 2 1 284.447 3.429 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)CC2)c(C)c1 ZINC000453248655 374370420 /nfs/dbraw/zinc/37/04/20/374370420.db2.gz LIKJGQGKQHLCGR-WMZOPIPTSA-N 2 1 286.463 3.265 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453342852 374433158 /nfs/dbraw/zinc/43/31/58/374433158.db2.gz HZQIQVRRPZNIPE-FAHTYWLASA-N 2 1 264.457 3.416 20 0 CGADMP CCCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667217 374710077 /nfs/dbraw/zinc/71/00/77/374710077.db2.gz WJJCENQAWDKNKS-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000459496448 374809501 /nfs/dbraw/zinc/80/95/01/374809501.db2.gz XNGFPFKOSUMNNJ-HNAYVOBHSA-N 2 1 284.447 3.264 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000459496448 374809502 /nfs/dbraw/zinc/80/95/02/374809502.db2.gz XNGFPFKOSUMNNJ-HNAYVOBHSA-N 2 1 284.447 3.264 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000459496448 374809504 /nfs/dbraw/zinc/80/95/04/374809504.db2.gz XNGFPFKOSUMNNJ-HNAYVOBHSA-N 2 1 284.447 3.264 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000334624597 374917397 /nfs/dbraw/zinc/91/73/97/374917397.db2.gz LBFAQOLPVCFNJU-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000334624597 374917399 /nfs/dbraw/zinc/91/73/99/374917399.db2.gz LBFAQOLPVCFNJU-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000334624597 374917402 /nfs/dbraw/zinc/91/74/02/374917402.db2.gz LBFAQOLPVCFNJU-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000187084033 374967124 /nfs/dbraw/zinc/96/71/24/374967124.db2.gz LKFOAANDRIXKMQ-QGZVFWFLSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000187084033 374967129 /nfs/dbraw/zinc/96/71/29/374967129.db2.gz LKFOAANDRIXKMQ-QGZVFWFLSA-N 2 1 287.451 3.006 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000187798001 375096767 /nfs/dbraw/zinc/09/67/67/375096767.db2.gz MSLZGVMXSIEXDT-KCQAQPDRSA-N 2 1 293.480 3.012 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccn1 ZINC000187798001 375096772 /nfs/dbraw/zinc/09/67/72/375096772.db2.gz MSLZGVMXSIEXDT-KCQAQPDRSA-N 2 1 293.480 3.012 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000187964858 375127410 /nfs/dbraw/zinc/12/74/10/375127410.db2.gz QEDCEWSAYTUCHE-JKSUJKDBSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000481992650 375167236 /nfs/dbraw/zinc/16/72/36/375167236.db2.gz RGQWZBRFWFKTCH-WRQOLXDDSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000483310484 375177580 /nfs/dbraw/zinc/17/75/80/375177580.db2.gz DKQTXKPUBIUIIS-BFYDXBDKSA-N 2 1 260.425 3.028 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CC3(C)C)CC2)[nH+]c1 ZINC000487307282 375225228 /nfs/dbraw/zinc/22/52/28/375225228.db2.gz YLOBITJOJFYIPA-GDBMZVCRSA-N 2 1 287.451 3.383 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000488437977 375308701 /nfs/dbraw/zinc/30/87/01/375308701.db2.gz LREYCRLTXIVETQ-JYJNAYRXSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000335644326 375337519 /nfs/dbraw/zinc/33/75/19/375337519.db2.gz UCALJFTUAIECNV-DOMZBBRYSA-N 2 1 278.827 3.401 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000335644326 375337524 /nfs/dbraw/zinc/33/75/24/375337524.db2.gz UCALJFTUAIECNV-DOMZBBRYSA-N 2 1 278.827 3.401 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1[NH3+] ZINC000335786477 375429812 /nfs/dbraw/zinc/42/98/12/375429812.db2.gz NZTPURJMPBGTDP-SCLBCKFNSA-N 2 1 299.393 3.057 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1[NH3+] ZINC000335786477 375429815 /nfs/dbraw/zinc/42/98/15/375429815.db2.gz NZTPURJMPBGTDP-SCLBCKFNSA-N 2 1 299.393 3.057 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1c[nH]c2ccccc12 ZINC000190491950 375515614 /nfs/dbraw/zinc/51/56/14/375515614.db2.gz WGTZEMPPSFZFIL-INIZCTEOSA-N 2 1 285.435 3.474 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1c[nH]c2ccccc12 ZINC000190491950 375515615 /nfs/dbraw/zinc/51/56/15/375515615.db2.gz WGTZEMPPSFZFIL-INIZCTEOSA-N 2 1 285.435 3.474 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1c[nH]c2ccccc12 ZINC000190491950 375515618 /nfs/dbraw/zinc/51/56/18/375515618.db2.gz WGTZEMPPSFZFIL-INIZCTEOSA-N 2 1 285.435 3.474 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC3(CCCCC3)O2)CC[N@@H+]1C ZINC000190978898 375557644 /nfs/dbraw/zinc/55/76/44/375557644.db2.gz NOWRPQSMSATBDA-ZACQAIPSSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC3(CCCCC3)O2)CC[N@H+]1C ZINC000190978898 375557652 /nfs/dbraw/zinc/55/76/52/375557652.db2.gz NOWRPQSMSATBDA-ZACQAIPSSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC3(CCCCC3)O2)CC[NH+]1C ZINC000190978898 375557658 /nfs/dbraw/zinc/55/76/58/375557658.db2.gz NOWRPQSMSATBDA-ZACQAIPSSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC3(CCCCC3)O2)CC[NH+]1C ZINC000190978898 375557662 /nfs/dbraw/zinc/55/76/62/375557662.db2.gz NOWRPQSMSATBDA-ZACQAIPSSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000336041230 375639773 /nfs/dbraw/zinc/63/97/73/375639773.db2.gz SYLIWASTFHJEJW-ZFWWWQNUSA-N 2 1 276.399 3.146 20 0 CGADMP CCCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000191871000 375670701 /nfs/dbraw/zinc/67/07/01/375670701.db2.gz CJSAMWBGLSCQFO-UHFFFAOYSA-N 2 1 257.381 3.413 20 0 CGADMP CC[N@@H+](Cc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000123925248 542030169 /nfs/dbraw/zinc/03/01/69/542030169.db2.gz AZNVJCJKFDEWET-UHFFFAOYSA-N 2 1 286.444 3.416 20 0 CGADMP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507523282 375711966 /nfs/dbraw/zinc/71/19/66/375711966.db2.gz IJHHARMBTRZRJT-YLFCFFPRSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179858 375753717 /nfs/dbraw/zinc/75/37/17/375753717.db2.gz JQNOLXSFKOBDSD-SJKOYZFVSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179858 375753721 /nfs/dbraw/zinc/75/37/21/375753721.db2.gz JQNOLXSFKOBDSD-SJKOYZFVSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179858 375753725 /nfs/dbraw/zinc/75/37/25/375753725.db2.gz JQNOLXSFKOBDSD-SJKOYZFVSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179858 375753729 /nfs/dbraw/zinc/75/37/29/375753729.db2.gz JQNOLXSFKOBDSD-SJKOYZFVSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713711 375759654 /nfs/dbraw/zinc/75/96/54/375759654.db2.gz ABBTUOUPAYFYNJ-MXSMSXNCSA-N 2 1 272.436 3.143 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000192928089 375804534 /nfs/dbraw/zinc/80/45/34/375804534.db2.gz JDNICMWGVAXBIM-DOTOQJQBSA-N 2 1 272.436 3.287 20 0 CGADMP CCC(CC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927902 375805349 /nfs/dbraw/zinc/80/53/49/375805349.db2.gz GKYGFZUVZRHGCT-MRXNPFEDSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccs2)CC1 ZINC000535083211 376024417 /nfs/dbraw/zinc/02/44/17/376024417.db2.gz NMKWHCMHVMSWSO-UHFFFAOYSA-N 2 1 266.454 3.300 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000337139785 376094750 /nfs/dbraw/zinc/09/47/50/376094750.db2.gz QIOQFAWXLIQHMO-HNNXBMFYSA-N 2 1 277.456 3.357 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131554042 296239042 /nfs/dbraw/zinc/23/90/42/296239042.db2.gz HABDRGKYPNWZDS-WOPDTQHZSA-N 2 1 252.789 3.070 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000537939976 376210098 /nfs/dbraw/zinc/21/00/98/376210098.db2.gz NMRIHHJPSXZMBO-MJGOQNOKSA-N 2 1 288.479 3.474 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696062 376122844 /nfs/dbraw/zinc/12/28/44/376122844.db2.gz QKUYCLSWGIVDRR-DFQSSKMNSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696062 376122853 /nfs/dbraw/zinc/12/28/53/376122853.db2.gz QKUYCLSWGIVDRR-DFQSSKMNSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696062 376122866 /nfs/dbraw/zinc/12/28/66/376122866.db2.gz QKUYCLSWGIVDRR-DFQSSKMNSA-N 2 1 298.474 3.454 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCSc2ccccc2)[C@H](C)C1 ZINC000537971752 376214025 /nfs/dbraw/zinc/21/40/25/376214025.db2.gz FPLDPRMPPHSQTB-WBVHZDCISA-N 2 1 292.492 3.489 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OC ZINC000221983382 376225833 /nfs/dbraw/zinc/22/58/33/376225833.db2.gz IMIFSGDFQHWTBD-LZWOXQAQSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1OC ZINC000221983382 376225836 /nfs/dbraw/zinc/22/58/36/376225836.db2.gz IMIFSGDFQHWTBD-LZWOXQAQSA-N 2 1 276.424 3.219 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000132348502 542076333 /nfs/dbraw/zinc/07/63/33/542076333.db2.gz FVSPVANBTWKBNW-RLFYNMQTSA-N 2 1 274.452 3.110 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000224414666 376280788 /nfs/dbraw/zinc/28/07/88/376280788.db2.gz CKYJSIUPARIWAY-AWEZNQCLSA-N 2 1 266.404 3.078 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000224414666 376280795 /nfs/dbraw/zinc/28/07/95/376280795.db2.gz CKYJSIUPARIWAY-AWEZNQCLSA-N 2 1 266.404 3.078 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000337998561 376251732 /nfs/dbraw/zinc/25/17/32/376251732.db2.gz VHJPXHONXXYBJJ-DJIMGWMZSA-N 2 1 264.457 3.275 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000338319778 376332350 /nfs/dbraw/zinc/33/23/50/376332350.db2.gz RRZDYEUGOWNIOR-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000539896291 376345671 /nfs/dbraw/zinc/34/56/71/376345671.db2.gz KVPSQOWHKAKIMK-CJNGLKHVSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000539896291 376345678 /nfs/dbraw/zinc/34/56/78/376345678.db2.gz KVPSQOWHKAKIMK-CJNGLKHVSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000539896291 376345683 /nfs/dbraw/zinc/34/56/83/376345683.db2.gz KVPSQOWHKAKIMK-CJNGLKHVSA-N 2 1 278.465 3.227 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)CC(C)C ZINC000132940821 542077829 /nfs/dbraw/zinc/07/78/29/542077829.db2.gz QFWXUOVZWCPACF-AEFFLSMTSA-N 3 1 297.531 3.063 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000540151289 376359486 /nfs/dbraw/zinc/35/94/86/376359486.db2.gz MLFWKMKUKBWENM-HOCLYGCPSA-N 2 1 252.446 3.133 20 0 CGADMP CCc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435576 376359770 /nfs/dbraw/zinc/35/97/70/376359770.db2.gz ZCYCQNXDXGYEKC-QGZVFWFLSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000226540121 376363313 /nfs/dbraw/zinc/36/33/13/376363313.db2.gz DSYQDHAENROTIW-NHCYSSNCSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000226540121 376363316 /nfs/dbraw/zinc/36/33/16/376363316.db2.gz DSYQDHAENROTIW-NHCYSSNCSA-N 2 1 270.779 3.209 20 0 CGADMP c1ccc2c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c2c1 ZINC000228046303 376425376 /nfs/dbraw/zinc/42/53/76/376425376.db2.gz HUPDLWDNPKVMDY-KGLIPLIRSA-N 2 1 267.376 3.274 20 0 CGADMP Clc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000228409256 376435966 /nfs/dbraw/zinc/43/59/66/376435966.db2.gz OWAQSPGNHOCZHR-UHFFFAOYSA-N 2 1 273.207 3.225 20 0 CGADMP C[C@@H]([NH2+]C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599741 376466195 /nfs/dbraw/zinc/46/61/95/376466195.db2.gz OWRLHYBVVFNCHZ-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)CC1CCCCC1 ZINC000541790924 376482975 /nfs/dbraw/zinc/48/29/75/376482975.db2.gz OKFYJKLSWMAMSF-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231462406 376560863 /nfs/dbraw/zinc/56/08/63/376560863.db2.gz VFRCNKUQLWMNDJ-GFCCVEGCSA-N 2 1 270.779 3.053 20 0 CGADMP CCN1CC[C@H]([N@@H+](C)[C@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093560 376604051 /nfs/dbraw/zinc/60/40/51/376604051.db2.gz MGKFFKZPTIBJRY-FMKPAKJESA-N 2 1 280.481 3.484 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093560 376604059 /nfs/dbraw/zinc/60/40/59/376604059.db2.gz MGKFFKZPTIBJRY-FMKPAKJESA-N 2 1 280.481 3.484 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093560 376604063 /nfs/dbraw/zinc/60/40/63/376604063.db2.gz MGKFFKZPTIBJRY-FMKPAKJESA-N 2 1 280.481 3.484 20 0 CGADMP CC(C)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000232654666 376584828 /nfs/dbraw/zinc/58/48/28/376584828.db2.gz HGINADXHGUJKKC-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000234306004 376614182 /nfs/dbraw/zinc/61/41/82/376614182.db2.gz FQSQKFNDZJRAIP-QGZVFWFLSA-N 2 1 260.425 3.186 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000234341831 376617876 /nfs/dbraw/zinc/61/78/76/376617876.db2.gz AMZYFWAQISLBFQ-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000234341831 376617882 /nfs/dbraw/zinc/61/78/82/376617882.db2.gz AMZYFWAQISLBFQ-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000339182071 376730243 /nfs/dbraw/zinc/73/02/43/376730243.db2.gz QDXSUXHRLUQBTC-CYBMUJFWSA-N 2 1 278.827 3.222 20 0 CGADMP C[C@@H](CC[N@H+]1CCC(C)(C)C1)[NH+]1CCC(C)(C)C1 ZINC000153633529 542112316 /nfs/dbraw/zinc/11/23/16/542112316.db2.gz IMKIAEJRFRDXEN-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+]1CCC(C)(C)C1)[N@@H+]1CCC(C)(C)C1 ZINC000153633529 542112319 /nfs/dbraw/zinc/11/23/19/542112319.db2.gz IMKIAEJRFRDXEN-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+]1CCC(C)(C)C1)[N@H+]1CCC(C)(C)C1 ZINC000153633529 542112324 /nfs/dbraw/zinc/11/23/24/542112324.db2.gz IMKIAEJRFRDXEN-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc2cccnc12 ZINC000346134040 217811419 /nfs/dbraw/zinc/81/14/19/217811419.db2.gz FAVJCBITFVNUOT-UHFFFAOYSA-N 2 1 297.446 3.317 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2)[C@@H](C)C1 ZINC000245424784 376813733 /nfs/dbraw/zinc/81/37/33/376813733.db2.gz KHHWQJILERKMPO-WMZOPIPTSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2)[C@@H](C)C1 ZINC000245424784 376813738 /nfs/dbraw/zinc/81/37/38/376813738.db2.gz KHHWQJILERKMPO-WMZOPIPTSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2)[C@@H](C)C1 ZINC000245424784 376813739 /nfs/dbraw/zinc/81/37/39/376813739.db2.gz KHHWQJILERKMPO-WMZOPIPTSA-N 2 1 274.452 3.281 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@H]2CCC[C@@H]21 ZINC000556865767 376892912 /nfs/dbraw/zinc/89/29/12/376892912.db2.gz GHJQBONCBHRQTQ-KBMXLJTQSA-N 2 1 278.827 3.302 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000556922483 376906738 /nfs/dbraw/zinc/90/67/38/376906738.db2.gz CRVOWSZKTVLOQV-JYJNAYRXSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000556922483 376906747 /nfs/dbraw/zinc/90/67/47/376906747.db2.gz CRVOWSZKTVLOQV-JYJNAYRXSA-N 2 1 250.430 3.029 20 0 CGADMP c1cn2c(cccc2C[N@H+]2CCC[C@H]3CCC[C@H]32)n1 ZINC000245847854 376918502 /nfs/dbraw/zinc/91/85/02/376918502.db2.gz LRBDYTYMRKSGKA-UKRRQHHQSA-N 2 1 255.365 3.099 20 0 CGADMP c1cn2c(cccc2C[N@H+]2CCC[C@@H]3CCC[C@H]32)n1 ZINC000245847846 376919004 /nfs/dbraw/zinc/91/90/04/376919004.db2.gz LRBDYTYMRKSGKA-DZGCQCFKSA-N 2 1 255.365 3.099 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000558219438 376986603 /nfs/dbraw/zinc/98/66/03/376986603.db2.gz BJAXBFPMJOGRFK-VNQPRFMTSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000558219438 376986605 /nfs/dbraw/zinc/98/66/05/376986605.db2.gz BJAXBFPMJOGRFK-VNQPRFMTSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000246931317 377121123 /nfs/dbraw/zinc/12/11/23/377121123.db2.gz HCWFXIGGCOLWTG-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340458561 377072650 /nfs/dbraw/zinc/07/26/50/377072650.db2.gz AZAMKKDHJSSOTA-ZOBUZTSGSA-N 2 1 278.415 3.235 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000340470648 377080504 /nfs/dbraw/zinc/08/05/04/377080504.db2.gz PTCCWADSINLFNY-IJEWVQPXSA-N 2 1 293.455 3.392 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@]1(C)CCCO1 ZINC000340474500 377086073 /nfs/dbraw/zinc/08/60/73/377086073.db2.gz SLJWDUFPVUCIPM-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)OC)c1 ZINC000340478436 377090391 /nfs/dbraw/zinc/09/03/91/377090391.db2.gz KWACTHLAZZXFPD-AWEZNQCLSA-N 2 1 278.440 3.041 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246868114 377107338 /nfs/dbraw/zinc/10/73/38/377107338.db2.gz DHOFBBYUNCNUCH-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1ccccc1CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246998403 377137135 /nfs/dbraw/zinc/13/71/35/377137135.db2.gz QZPYHDRGTFPUQD-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246998403 377137144 /nfs/dbraw/zinc/13/71/44/377137144.db2.gz QZPYHDRGTFPUQD-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246998403 377137157 /nfs/dbraw/zinc/13/71/57/377137157.db2.gz QZPYHDRGTFPUQD-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246998403 377137162 /nfs/dbraw/zinc/13/71/62/377137162.db2.gz QZPYHDRGTFPUQD-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554682 377170292 /nfs/dbraw/zinc/17/02/92/377170292.db2.gz HUEIMNBVAITKMW-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554682 377170297 /nfs/dbraw/zinc/17/02/97/377170297.db2.gz HUEIMNBVAITKMW-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554682 377170301 /nfs/dbraw/zinc/17/03/01/377170301.db2.gz HUEIMNBVAITKMW-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)[C@H](C)C1 ZINC000247202381 377177126 /nfs/dbraw/zinc/17/71/26/377177126.db2.gz WLFINGPJLSQJNM-HZMVEIRTSA-N 2 1 284.488 3.148 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000247207660 377178150 /nfs/dbraw/zinc/17/81/50/377178150.db2.gz WSVWWARSUADMEW-SOUVJXGZSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000161625847 542159966 /nfs/dbraw/zinc/15/99/66/542159966.db2.gz ZHJRAUZNAJDOBK-KRWDZBQOSA-N 2 1 276.399 3.277 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c[nH]c21 ZINC000248201147 377280462 /nfs/dbraw/zinc/28/04/62/377280462.db2.gz YTAYCKQEHLQDHT-RVKKMQEKSA-N 2 1 299.462 3.337 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248544597 377342804 /nfs/dbraw/zinc/34/28/04/377342804.db2.gz DQXYBJSAVXWJQQ-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CC1=CCC[NH+](Cc2cncc(C[N@@H+]3CCC=C(C)C3)c2)C1 ZINC000562708413 377351794 /nfs/dbraw/zinc/35/17/94/377351794.db2.gz JSSXONVOPPZMMT-UHFFFAOYSA-N 2 1 297.446 3.386 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249041111 377448187 /nfs/dbraw/zinc/44/81/87/377448187.db2.gz VBRRBYFAVOIPRF-KGLIPLIRSA-N 2 1 294.389 3.238 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249041111 377448194 /nfs/dbraw/zinc/44/81/94/377448194.db2.gz VBRRBYFAVOIPRF-KGLIPLIRSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249041111 377448200 /nfs/dbraw/zinc/44/82/00/377448200.db2.gz VBRRBYFAVOIPRF-KGLIPLIRSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249041111 377448205 /nfs/dbraw/zinc/44/82/05/377448205.db2.gz VBRRBYFAVOIPRF-KGLIPLIRSA-N 2 1 294.389 3.238 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000249088733 377458860 /nfs/dbraw/zinc/45/88/60/377458860.db2.gz GCXUKXFZDGFRAP-OTWHNJEPSA-N 2 1 286.463 3.329 20 0 CGADMP c1ccc2c(c1)cccc2C[NH2+]CCC[NH+]1CCC1 ZINC000563418368 377459994 /nfs/dbraw/zinc/45/99/94/377459994.db2.gz OQDPDKSZJUYLKY-UHFFFAOYSA-N 2 1 254.377 3.025 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000249090398 377461460 /nfs/dbraw/zinc/46/14/60/377461460.db2.gz UOBHWIFAYXZQJO-WBVHZDCISA-N 2 1 260.425 3.411 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000249090398 377461463 /nfs/dbraw/zinc/46/14/63/377461463.db2.gz UOBHWIFAYXZQJO-WBVHZDCISA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000249182010 377473945 /nfs/dbraw/zinc/47/39/45/377473945.db2.gz IRRKWKWTEHFQRK-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000249182010 377473953 /nfs/dbraw/zinc/47/39/53/377473953.db2.gz IRRKWKWTEHFQRK-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000090721557 249029972 /nfs/dbraw/zinc/02/99/72/249029972.db2.gz ZVGTZUQHRRNZMQ-RDTXWAMCSA-N 2 1 268.404 3.412 20 0 CGADMP CC(C)(C)c1csc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000094967390 249042961 /nfs/dbraw/zinc/04/29/61/249042961.db2.gz GACIMPXIQUEMHL-UHFFFAOYSA-N 2 1 281.469 3.001 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000037644376 249002906 /nfs/dbraw/zinc/00/29/06/249002906.db2.gz TVUMKXWCONIDAS-NFOMZHRRSA-N 2 1 276.399 3.003 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249943394 377542099 /nfs/dbraw/zinc/54/20/99/377542099.db2.gz XHEUEPBTMWTJJY-MGLUKCQKSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166456240 542174488 /nfs/dbraw/zinc/17/44/88/542174488.db2.gz ABMZXRGWZYTHMC-DLBZAZTESA-N 2 1 284.447 3.243 20 0 CGADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422907267 249127242 /nfs/dbraw/zinc/12/72/42/249127242.db2.gz WSGIHLAPQHXVDS-KOLCDFICSA-N 2 1 295.839 3.167 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000250110422 377552544 /nfs/dbraw/zinc/55/25/44/377552544.db2.gz SSMJXHHSLDWILK-XUWVNRHRSA-N 2 1 298.540 3.474 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000250110422 377552550 /nfs/dbraw/zinc/55/25/50/377552550.db2.gz SSMJXHHSLDWILK-XUWVNRHRSA-N 2 1 298.540 3.474 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2)C(C)C)C1 ZINC000249971504 377544520 /nfs/dbraw/zinc/54/45/20/377544520.db2.gz KMICTRNSZGTTMP-QZTJIDSGSA-N 2 1 274.452 3.185 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000339188367 249102010 /nfs/dbraw/zinc/10/20/10/249102010.db2.gz GGRXDDYEQMVCRX-JKSUJKDBSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000339188367 249102014 /nfs/dbraw/zinc/10/20/14/249102014.db2.gz GGRXDDYEQMVCRX-JKSUJKDBSA-N 2 1 278.827 3.365 20 0 CGADMP CC[N@H+](Cc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000469871038 249161183 /nfs/dbraw/zinc/16/11/83/249161183.db2.gz FCCQRWOOOXVFFO-UHFFFAOYSA-N 2 1 256.393 3.399 20 0 CGADMP CC[N@@H+](Cc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000469871038 249161185 /nfs/dbraw/zinc/16/11/85/249161185.db2.gz FCCQRWOOOXVFFO-UHFFFAOYSA-N 2 1 256.393 3.399 20 0 CGADMP Fc1ccc(C2([NH2+]C[C@@H]3CCC[NH2+]C3)CCCC2)c(F)c1 ZINC000469979239 249164639 /nfs/dbraw/zinc/16/46/39/249164639.db2.gz SZMZJWFKBQDNPW-CYBMUJFWSA-N 2 1 294.389 3.323 20 0 CGADMP Cc1cc(C)cc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000469981884 249164799 /nfs/dbraw/zinc/16/47/99/249164799.db2.gz ASFGNBJCFDMIDK-KRWDZBQOSA-N 2 1 272.436 3.092 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1c(F)cccc1Cl ZINC000563425382 321997073 /nfs/dbraw/zinc/99/70/73/321997073.db2.gz OUZZSGGKKWKTHX-DCAQKATOSA-N 2 1 270.779 3.400 20 0 CGADMP CC(C)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000516348326 249231851 /nfs/dbraw/zinc/23/18/51/249231851.db2.gz SUFLQOKJFNZSQV-ZDUSSCGKSA-N 2 1 281.469 3.086 20 0 CGADMP CC(C)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)s1 ZINC000516348326 249231853 /nfs/dbraw/zinc/23/18/53/249231853.db2.gz SUFLQOKJFNZSQV-ZDUSSCGKSA-N 2 1 281.469 3.086 20 0 CGADMP Cc1[nH+]c2ccccc2c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000516340741 249232098 /nfs/dbraw/zinc/23/20/98/249232098.db2.gz VDZUMLVGVZCLKD-WFASDCNBSA-N 2 1 283.419 3.168 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251609982 377591321 /nfs/dbraw/zinc/59/13/21/377591321.db2.gz CZKHMNNQUGZHSU-VQHPVUNQSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCCc1cncn1C ZINC000573860696 377585631 /nfs/dbraw/zinc/58/56/31/377585631.db2.gz ZQGOXVWSVSAUDF-LBPRGKRZSA-N 2 1 293.361 3.324 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)[C@@H](C)O)[NH2+][C@@H](C)c1ccccc1 ZINC000573914268 377592780 /nfs/dbraw/zinc/59/27/80/377592780.db2.gz WQUMTFJMPRMMQF-OWCLPIDISA-N 2 1 292.467 3.255 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251659209 377593623 /nfs/dbraw/zinc/59/36/23/377593623.db2.gz GUFSNFWLXDFJEL-CXAGYDPISA-N 2 1 284.403 3.018 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)C(C)(C)C)cc1 ZINC000518738527 249286138 /nfs/dbraw/zinc/28/61/38/249286138.db2.gz WGBSZNBOGICLJT-HIFRSBDPSA-N 2 1 278.440 3.104 20 0 CGADMP C[C@H]1C[C@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@@H+]1C ZINC000180061150 542206159 /nfs/dbraw/zinc/20/61/59/542206159.db2.gz UEXDAHTYZUOJAZ-SWLSCSKDSA-N 2 1 298.434 3.345 20 0 CGADMP C[C@H]1C[C@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@H+]1C ZINC000180061150 542206164 /nfs/dbraw/zinc/20/61/64/542206164.db2.gz UEXDAHTYZUOJAZ-SWLSCSKDSA-N 2 1 298.434 3.345 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000181481745 542218291 /nfs/dbraw/zinc/21/82/91/542218291.db2.gz BBAMROBYKPPTEF-YOEHRIQHSA-N 2 1 260.425 3.384 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698405 377652204 /nfs/dbraw/zinc/65/22/04/377652204.db2.gz MWXJWOKGMVFBMO-MXWKQRLJSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698405 377652209 /nfs/dbraw/zinc/65/22/09/377652209.db2.gz MWXJWOKGMVFBMO-MXWKQRLJSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252772928 377661459 /nfs/dbraw/zinc/66/14/59/377661459.db2.gz MIJODKQWKSVSLR-DMDPSCGWSA-N 2 1 252.789 3.070 20 0 CGADMP COCc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000252802740 377664465 /nfs/dbraw/zinc/66/44/65/377664465.db2.gz USCOFRMBZCSPMU-MAUKXSAKSA-N 2 1 299.418 3.113 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252862732 377667040 /nfs/dbraw/zinc/66/70/40/377667040.db2.gz OGHFEZMYAMOYSY-XTBFLFJDSA-N 2 1 278.827 3.460 20 0 CGADMP CC1(C)CC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000342611815 377689023 /nfs/dbraw/zinc/68/90/23/377689023.db2.gz GIUJGISOKYOPTI-QGZVFWFLSA-N 2 1 272.436 3.213 20 0 CGADMP CC1(C)CC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000342611815 377689030 /nfs/dbraw/zinc/68/90/30/377689030.db2.gz GIUJGISOKYOPTI-QGZVFWFLSA-N 2 1 272.436 3.213 20 0 CGADMP c1cn2c(cccc2C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000342678187 377728633 /nfs/dbraw/zinc/72/86/33/377728633.db2.gz SYNJXRBJZFYFKM-MRXNPFEDSA-N 2 1 263.344 3.281 20 0 CGADMP c1cn2c(cccc2CN2CC[C@@H]2c2ccccc2)n1 ZINC000342678187 377728636 /nfs/dbraw/zinc/72/86/36/377728636.db2.gz SYNJXRBJZFYFKM-MRXNPFEDSA-N 2 1 263.344 3.281 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000261577882 377820435 /nfs/dbraw/zinc/82/04/35/377820435.db2.gz CXMFFJXPPMUTTJ-IACUBPJLSA-N 2 1 278.465 3.215 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1sccc1Cl ZINC000261585995 377823779 /nfs/dbraw/zinc/82/37/79/377823779.db2.gz QUKDXSIPGZTCDD-JTQLQIEISA-N 2 1 258.818 3.105 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1sccc1Cl ZINC000261585995 377823784 /nfs/dbraw/zinc/82/37/84/377823784.db2.gz QUKDXSIPGZTCDD-JTQLQIEISA-N 2 1 258.818 3.105 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1F ZINC000261605065 377826180 /nfs/dbraw/zinc/82/61/80/377826180.db2.gz BAOMCOSQASLUJQ-MSOLQXFVSA-N 2 1 298.405 3.308 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@]2(C)CC[NH2+]C2)s1 ZINC000261906041 377865161 /nfs/dbraw/zinc/86/51/61/377865161.db2.gz WYHRNPKALHDMBC-SWLSCSKDSA-N 2 1 281.469 3.006 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@]2(C)CC[NH2+]C2)s1 ZINC000261906041 377865166 /nfs/dbraw/zinc/86/51/66/377865166.db2.gz WYHRNPKALHDMBC-SWLSCSKDSA-N 2 1 281.469 3.006 20 0 CGADMP C[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000342939872 377866857 /nfs/dbraw/zinc/86/68/57/377866857.db2.gz FJROGQXOESMKSP-IBGZPJMESA-N 2 1 291.398 3.498 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000261995791 377878340 /nfs/dbraw/zinc/87/83/40/377878340.db2.gz KSMSPKLZROGWMM-IRXDYDNUSA-N 2 1 260.425 3.459 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000262060522 377885156 /nfs/dbraw/zinc/88/51/56/377885156.db2.gz RCBMHVZDNZLMAJ-OAHLLOKOSA-N 2 1 266.816 3.162 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261710433 377843012 /nfs/dbraw/zinc/84/30/12/377843012.db2.gz JJSLNKSFQUCDND-CVEARBPZSA-N 2 1 272.436 3.025 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1CCCCCC1 ZINC000343191811 377923788 /nfs/dbraw/zinc/92/37/88/377923788.db2.gz INBWAQRVAIOHCT-CQSZACIVSA-N 2 1 263.429 3.388 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000575427412 377908046 /nfs/dbraw/zinc/90/80/46/377908046.db2.gz QFCQZTDVXIZQDR-HNNXBMFYSA-N 2 1 271.408 3.320 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1C ZINC000578080494 378036615 /nfs/dbraw/zinc/03/66/15/378036615.db2.gz YPMGDLQQLLIMAD-UHFFFAOYSA-N 2 1 271.408 3.183 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1C ZINC000578080494 378036626 /nfs/dbraw/zinc/03/66/26/378036626.db2.gz YPMGDLQQLLIMAD-UHFFFAOYSA-N 2 1 271.408 3.183 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000577887422 378020501 /nfs/dbraw/zinc/02/05/01/378020501.db2.gz QUMPSCPMIJCFSF-HOTGVXAUSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000578944463 378115351 /nfs/dbraw/zinc/11/53/51/378115351.db2.gz CSQPQOXAJMRQFC-ZIAGYGMSSA-N 2 1 281.403 3.002 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000578939643 378115863 /nfs/dbraw/zinc/11/58/63/378115863.db2.gz JCDIMJTVARTQFB-HZPDHXFCSA-N 2 1 254.462 3.379 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000268829342 378125907 /nfs/dbraw/zinc/12/59/07/378125907.db2.gz DSXAJLYVPNRJLY-KRWDZBQOSA-N 2 1 271.408 3.193 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000268697225 378092721 /nfs/dbraw/zinc/09/27/21/378092721.db2.gz CTSLPHWMEOOZDF-INMHGKMJSA-N 2 1 260.425 3.110 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(-c2ccncc2)c1)C1CCCC1 ZINC000578846862 378106027 /nfs/dbraw/zinc/10/60/27/378106027.db2.gz WIKNAJPUFKYXMI-IBGZPJMESA-N 2 1 295.430 3.356 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000269113066 378189427 /nfs/dbraw/zinc/18/94/27/378189427.db2.gz VZLHOAPLYREJIJ-VKJFTORMSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000269113066 378189429 /nfs/dbraw/zinc/18/94/29/378189429.db2.gz VZLHOAPLYREJIJ-VKJFTORMSA-N 2 1 272.436 3.428 20 0 CGADMP CC[N@H+]1CC[C@@H](NCc2cc(F)ccc2SC)[C@H](C)C1 ZINC000345167642 378210337 /nfs/dbraw/zinc/21/03/37/378210337.db2.gz RXZVONBGYBCLJL-IUODEOHRSA-N 2 1 296.455 3.368 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2SC)[C@H](C)C1 ZINC000345167642 378210347 /nfs/dbraw/zinc/21/03/47/378210347.db2.gz RXZVONBGYBCLJL-IUODEOHRSA-N 2 1 296.455 3.368 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268999253 378169899 /nfs/dbraw/zinc/16/98/99/378169899.db2.gz JDEGJPBMWDIXFK-ZOBUZTSGSA-N 2 1 292.492 3.381 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268999253 378169906 /nfs/dbraw/zinc/16/99/06/378169906.db2.gz JDEGJPBMWDIXFK-ZOBUZTSGSA-N 2 1 292.492 3.381 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000269057729 378181327 /nfs/dbraw/zinc/18/13/27/378181327.db2.gz XCYYWILHIOTFKJ-VHSXEESVSA-N 2 1 274.330 3.095 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000269057731 378182179 /nfs/dbraw/zinc/18/21/79/378182179.db2.gz XCYYWILHIOTFKJ-ZJUUUORDSA-N 2 1 274.330 3.095 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000582094372 378285541 /nfs/dbraw/zinc/28/55/41/378285541.db2.gz KBJHIIRWOYLXOU-DKIMLUQUSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000582094372 378285549 /nfs/dbraw/zinc/28/55/49/378285549.db2.gz KBJHIIRWOYLXOU-DKIMLUQUSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000582094372 378285554 /nfs/dbraw/zinc/28/55/54/378285554.db2.gz KBJHIIRWOYLXOU-DKIMLUQUSA-N 2 1 276.468 3.395 20 0 CGADMP CCC1CC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000582172483 378289461 /nfs/dbraw/zinc/28/94/61/378289461.db2.gz WPMBGXCSQGGARB-AVVWSFFYSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2cccc(F)c2)C1 ZINC000580766592 378256818 /nfs/dbraw/zinc/25/68/18/378256818.db2.gz MAYBTOHTMBYDOV-DOTOQJQBSA-N 2 1 292.442 3.467 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000580789072 378258045 /nfs/dbraw/zinc/25/80/45/378258045.db2.gz GVSKODXNUOIIPB-LJQANCHMSA-N 2 1 297.446 3.455 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000580789072 378258052 /nfs/dbraw/zinc/25/80/52/378258052.db2.gz GVSKODXNUOIIPB-LJQANCHMSA-N 2 1 297.446 3.455 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000584080671 378373490 /nfs/dbraw/zinc/37/34/90/378373490.db2.gz NBQRGBUOFFSWFI-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000584080671 378373497 /nfs/dbraw/zinc/37/34/97/378373497.db2.gz NBQRGBUOFFSWFI-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000584080671 378373500 /nfs/dbraw/zinc/37/35/00/378373500.db2.gz NBQRGBUOFFSWFI-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000270683472 378387843 /nfs/dbraw/zinc/38/78/43/378387843.db2.gz VAFFTEZODQVTPY-CZUORRHYSA-N 2 1 287.407 3.430 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000270683472 378387852 /nfs/dbraw/zinc/38/78/52/378387852.db2.gz VAFFTEZODQVTPY-CZUORRHYSA-N 2 1 287.407 3.430 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3ncccc3c2)C1 ZINC000271188714 378477527 /nfs/dbraw/zinc/47/75/27/378477527.db2.gz OOWZQSNJPSHQIS-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000271188714 378477532 /nfs/dbraw/zinc/47/75/32/378477532.db2.gz OOWZQSNJPSHQIS-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000271188714 378477539 /nfs/dbraw/zinc/47/75/39/378477539.db2.gz OOWZQSNJPSHQIS-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000346162497 378486853 /nfs/dbraw/zinc/48/68/53/378486853.db2.gz HGBVBBUSXPUEHL-SFHVURJKSA-N 2 1 296.418 3.340 20 0 CGADMP Cc1cc([C@@H]([NH2+]C2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000271523341 378495225 /nfs/dbraw/zinc/49/52/25/378495225.db2.gz OTEWFRXGABNRCC-KRWDZBQOSA-N 2 1 276.399 3.269 20 0 CGADMP Cc1cc(C[NH+]2CCC([NH3+])CC2)ccc1Oc1cccnc1 ZINC000346643454 378658970 /nfs/dbraw/zinc/65/89/70/378658970.db2.gz MVCSHHKIIKSRQG-UHFFFAOYSA-N 2 1 297.402 3.105 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000346658318 378664275 /nfs/dbraw/zinc/66/42/75/378664275.db2.gz UJGXJSXYLWPHRV-BBRMVZONSA-N 2 1 299.393 3.057 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000346667851 378669365 /nfs/dbraw/zinc/66/93/65/378669365.db2.gz ZEIRGFXZKTZPIC-JSGCOSHPSA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000346688273 378674116 /nfs/dbraw/zinc/67/41/16/378674116.db2.gz XOOJEEUYOUCVAE-QWHCGFSZSA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000346688273 378674122 /nfs/dbraw/zinc/67/41/22/378674122.db2.gz XOOJEEUYOUCVAE-QWHCGFSZSA-N 2 1 298.377 3.074 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000346693849 378678559 /nfs/dbraw/zinc/67/85/59/378678559.db2.gz QAVUAMKGWDWYRT-MNOVXSKESA-N 2 1 293.461 3.041 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2OC)[C@H](C)C1 ZINC000638114889 378704143 /nfs/dbraw/zinc/70/41/43/378704143.db2.gz ZJVWNAAAYOEJFN-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2OC)[C@H](C)C1 ZINC000638114889 378704147 /nfs/dbraw/zinc/70/41/47/378704147.db2.gz ZJVWNAAAYOEJFN-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2OC)[C@H](C)C1 ZINC000638114889 378704148 /nfs/dbraw/zinc/70/41/48/378704148.db2.gz ZJVWNAAAYOEJFN-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2OC)[C@H](C)C1 ZINC000638114889 378704150 /nfs/dbraw/zinc/70/41/50/378704150.db2.gz ZJVWNAAAYOEJFN-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP c1cnc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000638114005 378704957 /nfs/dbraw/zinc/70/49/57/378704957.db2.gz WECWCCFQVYMHEY-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638297807 378760692 /nfs/dbraw/zinc/76/06/92/378760692.db2.gz AIQPFFJVZZKWBQ-WBVHZDCISA-N 2 1 258.409 3.354 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638297807 378760696 /nfs/dbraw/zinc/76/06/96/378760696.db2.gz AIQPFFJVZZKWBQ-WBVHZDCISA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638368539 378780787 /nfs/dbraw/zinc/78/07/87/378780787.db2.gz AHIYSXXASCDZGM-LXTVHRRPSA-N 2 1 288.426 3.378 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000638371308 378782454 /nfs/dbraw/zinc/78/24/54/378782454.db2.gz QOLGWUZMUINCNF-FZKCQIBNSA-N 2 1 284.513 3.228 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]C2(c3ccccc3)CC2)CC1 ZINC000274187609 378789158 /nfs/dbraw/zinc/78/91/58/378789158.db2.gz JRBZEGPULSNRQX-UHFFFAOYSA-N 2 1 258.409 3.138 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346840488 218032889 /nfs/dbraw/zinc/03/28/89/218032889.db2.gz ZZHATUNTSKJTDA-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638466918 378811559 /nfs/dbraw/zinc/81/15/59/378811559.db2.gz KTKCDQHOJLVYBJ-SECBINFHSA-N 2 1 290.238 3.005 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000348176325 378823788 /nfs/dbraw/zinc/82/37/88/378823788.db2.gz UFNVDZWVWFRAHT-KRWDZBQOSA-N 2 1 289.467 3.177 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346836823 218031109 /nfs/dbraw/zinc/03/11/09/218031109.db2.gz VRJZBSHRQKDIEE-CGTJXYLNSA-N 2 1 288.435 3.035 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346854181 218038598 /nfs/dbraw/zinc/03/85/98/218038598.db2.gz TYHOIGUWMVTLDX-UAGQMJEPSA-N 2 1 288.435 3.035 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348249370 378865008 /nfs/dbraw/zinc/86/50/08/378865008.db2.gz WWDBXWHRBFVPER-DGCLKSJQSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348249370 378865015 /nfs/dbraw/zinc/86/50/15/378865015.db2.gz WWDBXWHRBFVPER-DGCLKSJQSA-N 2 1 289.345 3.244 20 0 CGADMP C[C@H](CC[NH2+]CCC[C@@H]1CCO1)[N@@H+](C)Cc1ccccc1 ZINC000638726415 378890421 /nfs/dbraw/zinc/89/04/21/378890421.db2.gz QSOGAYXKQVUUAS-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348305083 378897473 /nfs/dbraw/zinc/89/74/73/378897473.db2.gz HYKWQTBUROLLHV-TZMCWYRMSA-N 2 1 281.469 3.215 20 0 CGADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348305083 378897476 /nfs/dbraw/zinc/89/74/76/378897476.db2.gz HYKWQTBUROLLHV-TZMCWYRMSA-N 2 1 281.469 3.215 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000638854640 378937185 /nfs/dbraw/zinc/93/71/85/378937185.db2.gz SIROPRKSOYRZMG-GOSISDBHSA-N 2 1 290.451 3.186 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1c(C)noc1C ZINC000348343510 378919267 /nfs/dbraw/zinc/91/92/67/378919267.db2.gz IRLCBMZPMVHCOM-GJZGRUSLSA-N 2 1 279.428 3.207 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1c(C)noc1C ZINC000348343510 378919274 /nfs/dbraw/zinc/91/92/74/378919274.db2.gz IRLCBMZPMVHCOM-GJZGRUSLSA-N 2 1 279.428 3.207 20 0 CGADMP COCC[N@@H+](CCCc1cnccc1C)[C@@H]1CC[C@H](C)C1 ZINC000348414111 378947419 /nfs/dbraw/zinc/94/74/19/378947419.db2.gz UWNMQILEXVOGRZ-MAUKXSAKSA-N 2 1 290.451 3.460 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241378 378952174 /nfs/dbraw/zinc/95/21/74/378952174.db2.gz GWRUZEOGPRHITI-IUODEOHRSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241378 378952179 /nfs/dbraw/zinc/95/21/79/378952179.db2.gz GWRUZEOGPRHITI-IUODEOHRSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241378 378952186 /nfs/dbraw/zinc/95/21/86/378952186.db2.gz GWRUZEOGPRHITI-IUODEOHRSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241378 378952190 /nfs/dbraw/zinc/95/21/90/378952190.db2.gz GWRUZEOGPRHITI-IUODEOHRSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000347058542 218107328 /nfs/dbraw/zinc/10/73/28/218107328.db2.gz WQSKUCLWMDEUBL-GDBMZVCRSA-N 2 1 288.435 3.035 20 0 CGADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000347112659 218125980 /nfs/dbraw/zinc/12/59/80/218125980.db2.gz RJOXBBRSIBSOIR-YIONKMFJSA-N 2 1 278.827 3.363 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000567429175 322163044 /nfs/dbraw/zinc/16/30/44/322163044.db2.gz BUURPALRNZZUSO-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000567429175 322163045 /nfs/dbraw/zinc/16/30/45/322163045.db2.gz BUURPALRNZZUSO-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000567429175 322163047 /nfs/dbraw/zinc/16/30/47/322163047.db2.gz BUURPALRNZZUSO-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@](C)(C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)OC ZINC000639110591 379034648 /nfs/dbraw/zinc/03/46/48/379034648.db2.gz PVGKMJCSKDUMRE-QGZVFWFLSA-N 2 1 292.423 3.048 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCSc2ccccc2F)CC1 ZINC000277237651 379105609 /nfs/dbraw/zinc/10/56/09/379105609.db2.gz PFHHMWQACWSYOK-AWEZNQCLSA-N 2 1 296.455 3.334 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCSc2ccccc2F)CC1 ZINC000277237651 379105619 /nfs/dbraw/zinc/10/56/19/379105619.db2.gz PFHHMWQACWSYOK-AWEZNQCLSA-N 2 1 296.455 3.334 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000639175692 379094302 /nfs/dbraw/zinc/09/43/02/379094302.db2.gz RFMRIMWRQLNNEZ-UHFFFAOYSA-N 2 1 294.349 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000639175692 379094311 /nfs/dbraw/zinc/09/43/11/379094311.db2.gz RFMRIMWRQLNNEZ-UHFFFAOYSA-N 2 1 294.349 3.046 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000278768542 194146855 /nfs/dbraw/zinc/14/68/55/194146855.db2.gz OEEMQQRCXHLAJN-IAGOWNOFSA-N 2 1 267.376 3.247 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277639600 379205925 /nfs/dbraw/zinc/20/59/25/379205925.db2.gz YHPIXPJLVVOIJP-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1C ZINC000278842730 194179432 /nfs/dbraw/zinc/17/94/32/194179432.db2.gz KGJIMBYJMXDZDZ-ALOPSCKCSA-N 2 1 288.435 3.109 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(OC)c(C)c1 ZINC000349367563 379254117 /nfs/dbraw/zinc/25/41/17/379254117.db2.gz LXUXTSFDVMOPOX-UHFFFAOYSA-N 2 1 278.440 3.086 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+](C)CC2CN(C)C2)cc1C ZINC000639309373 379258643 /nfs/dbraw/zinc/25/86/43/379258643.db2.gz NNOMTWZAJJMXKZ-SREVYHEPSA-N 2 1 272.436 3.118 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C2 ZINC000278920811 194213006 /nfs/dbraw/zinc/21/30/06/194213006.db2.gz HYZOQJJPZZOLQC-WMZOPIPTSA-N 2 1 295.430 3.056 20 0 CGADMP Cc1nc(F)ccc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000278433577 379384743 /nfs/dbraw/zinc/38/47/43/379384743.db2.gz SHUFZVOGCGJVQM-AWEZNQCLSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1nc(F)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000278437321 379386407 /nfs/dbraw/zinc/38/64/07/379386407.db2.gz TUINFHNHAWPJLT-CQSZACIVSA-N 2 1 293.430 3.131 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000349933597 379451902 /nfs/dbraw/zinc/45/19/02/379451902.db2.gz LLLGLEHVOCYVMZ-GCMXGRHNSA-N 2 1 292.373 3.194 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCc1cncn1C ZINC000569706733 322254753 /nfs/dbraw/zinc/25/47/53/322254753.db2.gz SBEYBQNDYGIOIG-GOEBONIOSA-N 2 1 263.429 3.253 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCc3ccccc3[C@@H]2CO)c(C)n1 ZINC000639538840 379461933 /nfs/dbraw/zinc/46/19/33/379461933.db2.gz WENXGHBBWPZYGH-IBGZPJMESA-N 2 1 296.414 3.099 20 0 CGADMP Cc1cc(C)c(CN2CCc3ccccc3[C@@H]2CO)c(C)n1 ZINC000639538840 379461942 /nfs/dbraw/zinc/46/19/42/379461942.db2.gz WENXGHBBWPZYGH-IBGZPJMESA-N 2 1 296.414 3.099 20 0 CGADMP C[N@H+](Cc1cccc(C(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000279705254 379495396 /nfs/dbraw/zinc/49/53/96/379495396.db2.gz KEDZCORGDHRSLZ-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP C[NH+](Cc1cccc(C(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000279705254 379495404 /nfs/dbraw/zinc/49/54/04/379495404.db2.gz KEDZCORGDHRSLZ-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP C[NH+](Cc1cccc(C(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000279705254 379495411 /nfs/dbraw/zinc/49/54/11/379495411.db2.gz KEDZCORGDHRSLZ-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639695950 379553027 /nfs/dbraw/zinc/55/30/27/379553027.db2.gz FUVQNSKIRDMVSX-GOSISDBHSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639695950 379553036 /nfs/dbraw/zinc/55/30/36/379553036.db2.gz FUVQNSKIRDMVSX-GOSISDBHSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1ccncc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000279807870 379520720 /nfs/dbraw/zinc/52/07/20/379520720.db2.gz FKSJWLYDNVGDFD-UHFFFAOYSA-N 2 1 295.430 3.144 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757904 379571700 /nfs/dbraw/zinc/57/17/00/379571700.db2.gz MUUUFQDFHPNPPA-INIZCTEOSA-N 2 1 272.436 3.474 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000639758820 379572362 /nfs/dbraw/zinc/57/23/62/379572362.db2.gz WVZFSEJVLRGSCD-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2F)[C@H](C)C1 ZINC000280154372 379622386 /nfs/dbraw/zinc/62/23/86/379622386.db2.gz DXDCEJGBVDCRJZ-PBHICJAKSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1C ZINC000351496272 379724417 /nfs/dbraw/zinc/72/44/17/379724417.db2.gz SWORAVRMWMQJRP-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280810890 379796064 /nfs/dbraw/zinc/79/60/64/379796064.db2.gz JEPAZPFWVGJRHV-SFHVURJKSA-N 2 1 298.434 3.498 20 0 CGADMP C[C@H](F)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000352415554 379803877 /nfs/dbraw/zinc/80/38/77/379803877.db2.gz XVKKFVHRNJAFRH-ZDUSSCGKSA-N 2 1 279.403 3.147 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1C ZINC000352246488 379756563 /nfs/dbraw/zinc/75/65/63/379756563.db2.gz QFIJSOAVKPZKBT-MBNYWOFBSA-N 2 1 281.469 3.119 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000282189672 379870406 /nfs/dbraw/zinc/87/04/06/379870406.db2.gz NGAGKYWTWZLNPL-RBUKOAKNSA-N 2 1 298.474 3.473 20 0 CGADMP Cc1cnc([C@@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000640532968 379820533 /nfs/dbraw/zinc/82/05/33/379820533.db2.gz LRBYIFAKNKBWMG-OAHLLOKOSA-N 2 1 279.428 3.242 20 0 CGADMP Cc1cnc([C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000640532968 379820541 /nfs/dbraw/zinc/82/05/41/379820541.db2.gz LRBYIFAKNKBWMG-OAHLLOKOSA-N 2 1 279.428 3.242 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)oc1C ZINC000282283271 379889006 /nfs/dbraw/zinc/88/90/06/379889006.db2.gz RUHBVSONMRZGNA-LBPRGKRZSA-N 2 1 261.369 3.142 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(C)o2)C1 ZINC000282331818 379898910 /nfs/dbraw/zinc/89/89/10/379898910.db2.gz UVDRHPQPLUFROO-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(C)o2)C1 ZINC000282331818 379898914 /nfs/dbraw/zinc/89/89/14/379898914.db2.gz UVDRHPQPLUFROO-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(C)o2)C1 ZINC000282331821 379899267 /nfs/dbraw/zinc/89/92/67/379899267.db2.gz UVDRHPQPLUFROO-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(C)o2)C1 ZINC000282331821 379899269 /nfs/dbraw/zinc/89/92/69/379899269.db2.gz UVDRHPQPLUFROO-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000352793601 379964053 /nfs/dbraw/zinc/96/40/53/379964053.db2.gz CGZMHESMUGLWNR-ILXRZTDVSA-N 2 1 279.403 3.134 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC000399051982 379935163 /nfs/dbraw/zinc/93/51/63/379935163.db2.gz VTPQPIIVDCOTNZ-AGERRDQYSA-N 2 1 272.436 3.443 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1C ZINC000279026139 194254921 /nfs/dbraw/zinc/25/49/21/194254921.db2.gz VPTWSMDQJBURKQ-JKSUJKDBSA-N 2 1 283.419 3.413 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(C)(C)CC2)s1 ZINC000352765403 379948777 /nfs/dbraw/zinc/94/87/77/379948777.db2.gz JXNZAPQORJZBCG-UHFFFAOYSA-N 2 1 281.469 3.263 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C)CCCCC2)s1 ZINC000352777133 379953857 /nfs/dbraw/zinc/95/38/57/379953857.db2.gz ALCVMPGMZUVHKB-UHFFFAOYSA-N 2 1 267.442 3.017 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000401792539 379958798 /nfs/dbraw/zinc/95/87/98/379958798.db2.gz XGBFFAAFPVJATI-ZWKOTPCHSA-N 2 1 283.419 3.279 20 0 CGADMP Cc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000352832800 379990513 /nfs/dbraw/zinc/99/05/13/379990513.db2.gz PYUBUCPYSPMVFO-ZBFHGGJFSA-N 2 1 278.827 3.174 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4occc4c3)CC[C@H]21 ZINC000347914783 218399023 /nfs/dbraw/zinc/39/90/23/218399023.db2.gz PDBSWAFMCIFCNN-DLBZAZTESA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4occc4c3)CC[C@H]21 ZINC000347914783 218399024 /nfs/dbraw/zinc/39/90/24/218399024.db2.gz PDBSWAFMCIFCNN-DLBZAZTESA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4occc4c3)CC[C@H]21 ZINC000347914783 218399026 /nfs/dbraw/zinc/39/90/26/218399026.db2.gz PDBSWAFMCIFCNN-DLBZAZTESA-N 2 1 284.403 3.349 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283461894 380064938 /nfs/dbraw/zinc/06/49/38/380064938.db2.gz VNZZYHRNDAZGHR-MVJTYMMSSA-N 2 1 295.430 3.227 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000410067410 380072379 /nfs/dbraw/zinc/07/23/79/380072379.db2.gz QYUNMVVDLAAVQR-GOSISDBHSA-N 2 1 292.442 3.324 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000267913402 190362239 /nfs/dbraw/zinc/36/22/39/190362239.db2.gz FMWDLFUQGHNCBN-CRAIPNDOSA-N 2 1 283.419 3.015 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283172775 380042840 /nfs/dbraw/zinc/04/28/40/380042840.db2.gz JIHRFMLEDBNFBV-JLSDUUJJSA-N 2 1 270.420 3.030 20 0 CGADMP Cc1c[nH+]ccc1N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000413530241 380179756 /nfs/dbraw/zinc/17/97/56/380179756.db2.gz IWJBWFNZHACPNW-MRXNPFEDSA-N 2 1 281.403 3.101 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643033873 380206740 /nfs/dbraw/zinc/20/67/40/380206740.db2.gz QUZJDQSHYZVDHT-ABAIWWIYSA-N 2 1 287.794 3.076 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414176074 380200317 /nfs/dbraw/zinc/20/03/17/380200317.db2.gz IXQGKKOZJPQOGO-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000353935197 380243944 /nfs/dbraw/zinc/24/39/44/380243944.db2.gz ZIBUAXHRFQDGLG-DOTOQJQBSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cn1 ZINC000353935197 380243949 /nfs/dbraw/zinc/24/39/49/380243949.db2.gz ZIBUAXHRFQDGLG-DOTOQJQBSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)cn1 ZINC000353945130 380248075 /nfs/dbraw/zinc/24/80/75/380248075.db2.gz NLUJFIKZVNQVLR-SJORKVTESA-N 2 1 289.467 3.175 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)cn1 ZINC000353945130 380248080 /nfs/dbraw/zinc/24/80/80/380248080.db2.gz NLUJFIKZVNQVLR-SJORKVTESA-N 2 1 289.467 3.175 20 0 CGADMP C[NH2+]CCC[N@@H+](C)CCCc1ccc(C(F)(F)F)cc1 ZINC000643083348 380212268 /nfs/dbraw/zinc/21/22/68/380212268.db2.gz FWFHROKBIDSGJZ-UHFFFAOYSA-N 2 1 288.357 3.179 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)[C@@H](C)C1 ZINC000414343811 380214574 /nfs/dbraw/zinc/21/45/74/380214574.db2.gz YTTBPBPRWGEETH-JONQDZQNSA-N 2 1 296.499 3.289 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CCCCC1 ZINC000643496607 380319250 /nfs/dbraw/zinc/31/92/50/380319250.db2.gz GWQAPCYTPPOGRW-HNNXBMFYSA-N 2 1 280.362 3.203 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)CCOc2cccc(Cl)c2)CC[NH2+]1 ZINC000414672600 380363762 /nfs/dbraw/zinc/36/37/62/380363762.db2.gz AWUFXPBBPQZTFM-UONOGXRCSA-N 2 1 296.842 3.039 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](Cc2ccccc2F)C2CC2)CC[NH2+]1 ZINC000414681331 380370459 /nfs/dbraw/zinc/37/04/59/380370459.db2.gz OVPHAZIEQIKSQA-UONOGXRCSA-N 2 1 276.399 3.178 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682627 380370631 /nfs/dbraw/zinc/37/06/31/380370631.db2.gz YRUUORMOVRZLIN-FRRDWIJNSA-N 2 1 282.378 3.346 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](CC2CC2)C2CCCCC2)CC[NH2+]1 ZINC000414695035 380378085 /nfs/dbraw/zinc/37/80/85/380378085.db2.gz OPOWSFHDZKCEEK-HOCLYGCPSA-N 2 1 264.457 3.419 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771728 380396420 /nfs/dbraw/zinc/39/64/20/380396420.db2.gz AHSXEFHNCOHBDD-HUUCEWRRSA-N 2 1 284.403 3.254 20 0 CGADMP CC[N@@H+](CCC[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414741997 380391373 /nfs/dbraw/zinc/39/13/73/380391373.db2.gz MWAVDCUKIBCTDT-LLVKDONJSA-N 2 1 274.330 3.437 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC[NH2+]1 ZINC000414754443 380392818 /nfs/dbraw/zinc/39/28/18/380392818.db2.gz FZZOQRNDESBCBU-FRRDWIJNSA-N 2 1 292.389 3.285 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)Cc1ccsc1 ZINC000414760859 380394443 /nfs/dbraw/zinc/39/44/43/380394443.db2.gz RQDVOXOFRHIWHW-QLFBSQMISA-N 2 1 280.481 3.389 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546528 380359152 /nfs/dbraw/zinc/35/91/52/380359152.db2.gz QEFVCMKMUOZOBX-LSDHHAIUSA-N 2 1 288.435 3.329 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414814444 380426465 /nfs/dbraw/zinc/42/64/65/380426465.db2.gz VREXMDSEPHFYEZ-UHFFFAOYSA-N 2 1 258.768 3.086 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414818796 380429764 /nfs/dbraw/zinc/42/97/64/380429764.db2.gz WOORAKSUICIXLD-INIZCTEOSA-N 2 1 276.424 3.083 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000414818997 380430403 /nfs/dbraw/zinc/43/04/03/380430403.db2.gz XMOZIYAIZONWBZ-GFCCVEGCSA-N 2 1 274.330 3.313 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414831283 380439661 /nfs/dbraw/zinc/43/96/61/380439661.db2.gz CGCVSOMPSJAXPU-IUODEOHRSA-N 2 1 268.832 3.234 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000414836205 380443940 /nfs/dbraw/zinc/44/39/40/380443940.db2.gz IGODTDKPUSDMEQ-ZDUSSCGKSA-N 2 1 262.422 3.364 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414841508 380447998 /nfs/dbraw/zinc/44/79/98/380447998.db2.gz NIEGJIGMWSBNMP-WDEREUQCSA-N 2 1 254.340 3.071 20 0 CGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414843352 380449441 /nfs/dbraw/zinc/44/94/41/380449441.db2.gz NUUZQSFJHWZLHL-UHFFFAOYSA-N 2 1 298.434 3.136 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414784183 380402837 /nfs/dbraw/zinc/40/28/37/380402837.db2.gz QWIJCSBEEIZSIM-HOTGVXAUSA-N 2 1 292.854 3.470 20 0 CGADMP CSc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000414853172 380455931 /nfs/dbraw/zinc/45/59/31/380455931.db2.gz SANZDWUCNASFGL-MRXNPFEDSA-N 2 1 278.465 3.406 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000414803878 380416122 /nfs/dbraw/zinc/41/61/22/380416122.db2.gz WZBDULTXTNIGOL-LJQANCHMSA-N 2 1 298.430 3.339 20 0 CGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414932354 380493195 /nfs/dbraw/zinc/49/31/95/380493195.db2.gz QYAVWIBFQJDHRT-IWCVFHTOSA-N 2 1 272.436 3.300 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)oc2cc1C ZINC000414940972 380498492 /nfs/dbraw/zinc/49/84/92/380498492.db2.gz CEQWAKRWGVGHJR-HIFRSBDPSA-N 2 1 272.392 3.280 20 0 CGADMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000414857960 380460266 /nfs/dbraw/zinc/46/02/66/380460266.db2.gz GUSAIQBWWRCSJM-UHFFFAOYSA-N 2 1 296.842 3.361 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414867226 380464902 /nfs/dbraw/zinc/46/49/02/380464902.db2.gz HZKDKAHYZXPTSS-IRXDYDNUSA-N 2 1 260.425 3.086 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414886308 380473935 /nfs/dbraw/zinc/47/39/35/380473935.db2.gz WFASVMPBVHSJPF-IAGOWNOFSA-N 2 1 289.467 3.367 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCCC[C@H]2C2CC2)c1 ZINC000414886226 380474606 /nfs/dbraw/zinc/47/46/06/380474606.db2.gz VPZXMWPBHCSFLG-ROUUACIJSA-N 2 1 287.451 3.120 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414886312 380474738 /nfs/dbraw/zinc/47/47/38/380474738.db2.gz WFASVMPBVHSJPF-SJORKVTESA-N 2 1 289.467 3.367 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@H]1c1ccccc1 ZINC000355128622 380589598 /nfs/dbraw/zinc/58/95/98/380589598.db2.gz CXXIAALFOQESEV-AKHDSKFASA-N 2 1 284.447 3.349 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000645474375 380686752 /nfs/dbraw/zinc/68/67/52/380686752.db2.gz OAKPDLWGHCTBLU-KLHDSHLOSA-N 2 1 250.430 3.172 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645778696 380727648 /nfs/dbraw/zinc/72/76/48/380727648.db2.gz QPHYXCZKCLIDFC-SFHVURJKSA-N 2 1 296.499 3.247 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2c(F)cccc2F)[C@H](C)C1 ZINC000645830186 380745892 /nfs/dbraw/zinc/74/58/92/380745892.db2.gz GSKHHBRXDADVQH-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2c(F)cccc2F)[C@H](C)C1 ZINC000645830186 380745895 /nfs/dbraw/zinc/74/58/95/380745895.db2.gz GSKHHBRXDADVQH-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2c(F)cccc2F)[C@H](C)C1 ZINC000645830186 380745899 /nfs/dbraw/zinc/74/58/99/380745899.db2.gz GSKHHBRXDADVQH-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279185247 194321714 /nfs/dbraw/zinc/32/17/14/194321714.db2.gz SIJZPHIEIYSBSR-UHFFFAOYSA-N 2 1 292.452 3.125 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCOCC2)c1 ZINC000356653362 380810986 /nfs/dbraw/zinc/81/09/86/380810986.db2.gz AWMYCQYQDTZYTF-SFHVURJKSA-N 2 1 290.451 3.186 20 0 CGADMP c1ccc([C@H]2CSCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420318344 380848185 /nfs/dbraw/zinc/84/81/85/380848185.db2.gz ONGXQTUNNYBRLO-DOTOQJQBSA-N 2 1 290.476 3.166 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420365529 380851747 /nfs/dbraw/zinc/85/17/47/380851747.db2.gz LFLFTYSZZNGQMV-PVAVHDDUSA-N 2 1 282.472 3.079 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000356845829 380898878 /nfs/dbraw/zinc/89/88/78/380898878.db2.gz IKEIOEYRJCRYDJ-XOKHGSTOSA-N 2 1 275.440 3.386 20 0 CGADMP CCC[N@@H+](CCOCC[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000357066802 381018175 /nfs/dbraw/zinc/01/81/75/381018175.db2.gz CJMYZMMJDRIQLV-AWEZNQCLSA-N 2 1 290.407 3.181 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357029498 380998844 /nfs/dbraw/zinc/99/88/44/380998844.db2.gz NIADOXQKVMVTPK-QGZVFWFLSA-N 2 1 298.430 3.225 20 0 CGADMP Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000360214332 381482084 /nfs/dbraw/zinc/48/20/84/381482084.db2.gz VMIYIAAVFWLHFT-CWRNSKLLSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000360214332 381482095 /nfs/dbraw/zinc/48/20/95/381482095.db2.gz VMIYIAAVFWLHFT-CWRNSKLLSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000360214332 381482111 /nfs/dbraw/zinc/48/21/11/381482111.db2.gz VMIYIAAVFWLHFT-CWRNSKLLSA-N 2 1 261.413 3.092 20 0 CGADMP c1ccc2cc(CC[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000360543374 381575869 /nfs/dbraw/zinc/57/58/69/381575869.db2.gz HHIYMSHYMLXDDA-LJQANCHMSA-N 2 1 280.415 3.068 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000361768698 381868175 /nfs/dbraw/zinc/86/81/75/381868175.db2.gz ROMDJDDAXKTBFD-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC[N@H+]1C ZINC000361768698 381868184 /nfs/dbraw/zinc/86/81/84/381868184.db2.gz ROMDJDDAXKTBFD-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)[C@@H](C)C1 ZINC000362452881 381998338 /nfs/dbraw/zinc/99/83/38/381998338.db2.gz RBCNKFMENYEZCE-BBWFWOEESA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+](Cc1cc(F)cc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000362524891 382035835 /nfs/dbraw/zinc/03/58/35/382035835.db2.gz KBFQKAMHXXSVDE-LBPRGKRZSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@H+](Cc1cc(F)cc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000362524891 382035840 /nfs/dbraw/zinc/03/58/40/382035840.db2.gz KBFQKAMHXXSVDE-LBPRGKRZSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1cc(F)cc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000362524891 382035845 /nfs/dbraw/zinc/03/58/45/382035845.db2.gz KBFQKAMHXXSVDE-LBPRGKRZSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1cc(F)cc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000362524891 382035849 /nfs/dbraw/zinc/03/58/49/382035849.db2.gz KBFQKAMHXXSVDE-LBPRGKRZSA-N 2 1 284.806 3.253 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCC[C@H](C)C1 ZINC000573218084 322376527 /nfs/dbraw/zinc/37/65/27/322376527.db2.gz ZLBAHUSZQHJMRZ-SOUVJXGZSA-N 2 1 263.429 3.157 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229546881 542300918 /nfs/dbraw/zinc/30/09/18/542300918.db2.gz CNGISIWVMALRDH-LBPRGKRZSA-N 2 1 268.367 3.427 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CCCC1 ZINC000365065436 382280137 /nfs/dbraw/zinc/28/01/37/382280137.db2.gz QWUOOUOSMQHCEV-KBAYOESNSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CCCC1 ZINC000365065436 382280141 /nfs/dbraw/zinc/28/01/41/382280141.db2.gz QWUOOUOSMQHCEV-KBAYOESNSA-N 2 1 294.483 3.046 20 0 CGADMP CSC1(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CCC1 ZINC000365668639 382292300 /nfs/dbraw/zinc/29/23/00/382292300.db2.gz REFJKXBIEVFGBZ-UHFFFAOYSA-N 2 1 282.497 3.080 20 0 CGADMP Fc1ccc(/C=C/C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000366892241 382323095 /nfs/dbraw/zinc/32/30/95/382323095.db2.gz ZMBWLYWGILAOGO-SNAWJCMRSA-N 2 1 288.410 3.445 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263220 542330378 /nfs/dbraw/zinc/33/03/78/542330378.db2.gz VLKYVGMACWXQOG-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263220 542330382 /nfs/dbraw/zinc/33/03/82/542330382.db2.gz VLKYVGMACWXQOG-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263220 542330386 /nfs/dbraw/zinc/33/03/86/542330386.db2.gz VLKYVGMACWXQOG-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000251850035 542348567 /nfs/dbraw/zinc/34/85/67/542348567.db2.gz RRSDASHWTAWQLJ-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000252414831 542349510 /nfs/dbraw/zinc/34/95/10/542349510.db2.gz JTFXPRLYXLVHTH-ZWKOTPCHSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000252211939 542349582 /nfs/dbraw/zinc/34/95/82/542349582.db2.gz WPBIPHZFXWCCMA-FVPDABNVSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C)C[C@H]1C ZINC000353745850 220295765 /nfs/dbraw/zinc/29/57/65/220295765.db2.gz BEVADTWXVUFKTB-WBVHZDCISA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C)C[C@H]1C ZINC000353745850 220295769 /nfs/dbraw/zinc/29/57/69/220295769.db2.gz BEVADTWXVUFKTB-WBVHZDCISA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C)C[C@H]1C ZINC000353745850 220295772 /nfs/dbraw/zinc/29/57/72/220295772.db2.gz BEVADTWXVUFKTB-WBVHZDCISA-N 2 1 260.425 3.300 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2)C[C@H]1C ZINC000353753354 220305727 /nfs/dbraw/zinc/30/57/27/220305727.db2.gz WHDVNHVJFJSUFY-NVXWUHKLSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C[C@H]1C ZINC000353753354 220305730 /nfs/dbraw/zinc/30/57/30/220305730.db2.gz WHDVNHVJFJSUFY-NVXWUHKLSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C[C@H]1C ZINC000353753354 220305734 /nfs/dbraw/zinc/30/57/34/220305734.db2.gz WHDVNHVJFJSUFY-NVXWUHKLSA-N 2 1 260.425 3.300 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccs2)C[C@@H]1C ZINC000353751181 220305826 /nfs/dbraw/zinc/30/58/26/220305826.db2.gz IYOUFZLNIPQXMN-STQMWFEESA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccs2)C[C@@H]1C ZINC000353751181 220305830 /nfs/dbraw/zinc/30/58/30/220305830.db2.gz IYOUFZLNIPQXMN-STQMWFEESA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccs2)C[C@@H]1C ZINC000353751181 220305835 /nfs/dbraw/zinc/30/58/35/220305835.db2.gz IYOUFZLNIPQXMN-STQMWFEESA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccs2)C[C@@H]1C ZINC000353751181 220305841 /nfs/dbraw/zinc/30/58/41/220305841.db2.gz IYOUFZLNIPQXMN-STQMWFEESA-N 2 1 252.427 3.053 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000353776875 220325322 /nfs/dbraw/zinc/32/53/22/220325322.db2.gz URINYWOXYVEFIL-WDSOQIARSA-N 2 1 284.447 3.208 20 0 CGADMP c1cc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000289267190 197279959 /nfs/dbraw/zinc/27/99/59/197279959.db2.gz DOWXDBCLONKYKS-SFHVURJKSA-N 2 1 287.451 3.137 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1F ZINC000423534397 533111427 /nfs/dbraw/zinc/11/14/27/533111427.db2.gz VUWSLCJJOYOEQH-ABAIWWIYSA-N 2 1 280.387 3.002 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-c2ccncc2)cc1 ZINC000423343183 533361229 /nfs/dbraw/zinc/36/12/29/533361229.db2.gz ZJUXTIUOFUOJIK-CQSZACIVSA-N 2 1 281.403 3.281 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(OC(F)(F)F)c1 ZINC000423325816 533361272 /nfs/dbraw/zinc/36/12/72/533361272.db2.gz LUJOKONUZZDQBU-SNVBAGLBSA-N 2 1 288.313 3.117 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423296535 533408083 /nfs/dbraw/zinc/40/80/83/533408083.db2.gz HEHKYEDETMBUDQ-NWDGAFQWSA-N 2 1 275.421 3.056 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000424336790 533520252 /nfs/dbraw/zinc/52/02/52/533520252.db2.gz QZCQMCXASLDAEO-LERXQTSPSA-N 2 1 252.789 3.261 20 0 CGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2)cc1 ZINC000423429055 533531492 /nfs/dbraw/zinc/53/14/92/533531492.db2.gz JYQGWFQKNGPOSA-BPQTVZERSA-N 2 1 278.399 3.222 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-c2ccccc2)s1 ZINC000423370738 533498958 /nfs/dbraw/zinc/49/89/58/533498958.db2.gz PYBUGYLPTJHNQD-NWDGAFQWSA-N 2 1 260.406 3.413 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000423501449 533536912 /nfs/dbraw/zinc/53/69/12/533536912.db2.gz DOAKIVHCGDDWDM-IAQYHMDHSA-N 2 1 298.377 3.456 20 0 CGADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1Cl ZINC000086583457 533657771 /nfs/dbraw/zinc/65/77/71/533657771.db2.gz UYFMTVQBFSTDMA-UHFFFAOYSA-N 2 1 284.831 3.026 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000380524494 542595055 /nfs/dbraw/zinc/59/50/55/542595055.db2.gz CSMFJGPYKYTOQZ-HOCLYGCPSA-N 2 1 280.362 3.185 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390722809 542611337 /nfs/dbraw/zinc/61/13/37/542611337.db2.gz OSNGRMIXQXPFBQ-WBVHZDCISA-N 2 1 272.436 3.287 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccsc1 ZINC000191187970 130198363 /nfs/dbraw/zinc/19/83/63/130198363.db2.gz VCAORUSHANTQMT-AWEZNQCLSA-N 2 1 252.427 3.273 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191185371 130198666 /nfs/dbraw/zinc/19/86/66/130198666.db2.gz SLNBGXSIUAPEDY-QWRGUYRKSA-N 2 1 272.845 3.394 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191185371 130198667 /nfs/dbraw/zinc/19/86/67/130198667.db2.gz SLNBGXSIUAPEDY-QWRGUYRKSA-N 2 1 272.845 3.394 20 0 CGADMP CCC[N@@H+](CCC(C)(C)C1CC1)C1CC[NH2+]CC1 ZINC000406074125 542627726 /nfs/dbraw/zinc/62/77/26/542627726.db2.gz TUKHUZFBUVVOJI-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(F)c1 ZINC000191516899 130248360 /nfs/dbraw/zinc/24/83/60/130248360.db2.gz FWYXXZNYUQQAGZ-UHFFFAOYSA-N 2 1 289.398 3.497 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(F)c1 ZINC000191516899 130248362 /nfs/dbraw/zinc/24/83/62/130248362.db2.gz FWYXXZNYUQQAGZ-UHFFFAOYSA-N 2 1 289.398 3.497 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000415006655 542641874 /nfs/dbraw/zinc/64/18/74/542641874.db2.gz KUTDBTOBMNXPAG-KGLIPLIRSA-N 2 1 254.377 3.179 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000054556540 392092179 /nfs/dbraw/zinc/09/21/79/392092179.db2.gz PMLOQRMLMAJBOA-QQFBHYJXSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713859 392056746 /nfs/dbraw/zinc/05/67/46/392056746.db2.gz JTQKTDFPGCLUEF-SUNKGSAMSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713859 392056750 /nfs/dbraw/zinc/05/67/50/392056750.db2.gz JTQKTDFPGCLUEF-SUNKGSAMSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000361754228 392313216 /nfs/dbraw/zinc/31/32/16/392313216.db2.gz MVEJNJNQNVQSIR-MBNYWOFBSA-N 2 1 278.465 3.370 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000361754228 392313223 /nfs/dbraw/zinc/31/32/23/392313223.db2.gz MVEJNJNQNVQSIR-MBNYWOFBSA-N 2 1 278.465 3.370 20 0 CGADMP C[C@@H](CC[N@@H+](C)CC1CCC1)[NH+](C)CC1CCC1 ZINC000431599182 542653086 /nfs/dbraw/zinc/65/30/86/542653086.db2.gz FRXDNLKFYWCKFL-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+](C)CC1CCC1)[N@H+](C)CC1CCC1 ZINC000431599182 542653088 /nfs/dbraw/zinc/65/30/88/542653088.db2.gz FRXDNLKFYWCKFL-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+](C)CC1CCC1)[N@@H+](C)CC1CCC1 ZINC000431599182 542653091 /nfs/dbraw/zinc/65/30/91/542653091.db2.gz FRXDNLKFYWCKFL-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2Cl)C1 ZINC000249381909 131121438 /nfs/dbraw/zinc/12/14/38/131121438.db2.gz RYDSDRVXVXNYLW-VXGBXAGGSA-N 2 1 284.806 3.472 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2Cl)C1 ZINC000249381909 131121439 /nfs/dbraw/zinc/12/14/39/131121439.db2.gz RYDSDRVXVXNYLW-VXGBXAGGSA-N 2 1 284.806 3.472 20 0 CGADMP CC/C=C/C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453326499 542680357 /nfs/dbraw/zinc/68/03/57/542680357.db2.gz SGXUSWXDKQTWMM-CDFMYIFESA-N 2 1 258.409 3.378 20 0 CGADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453326499 542680360 /nfs/dbraw/zinc/68/03/60/542680360.db2.gz SGXUSWXDKQTWMM-CDFMYIFESA-N 2 1 258.409 3.378 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000289150826 392415312 /nfs/dbraw/zinc/41/53/12/392415312.db2.gz GHEBPRFUTOBOMA-HBUWYVDXSA-N 2 1 270.420 3.309 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126321735 392441987 /nfs/dbraw/zinc/44/19/87/392441987.db2.gz FMFIMEOFYWLUEC-JFIYKMOQSA-N 2 1 286.463 3.427 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000130048636 392453418 /nfs/dbraw/zinc/45/34/18/392453418.db2.gz DJSYLCCXOMGRJQ-PXAZEXFGSA-N 2 1 290.838 3.401 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC23CCOCC3)([NH+](C)C)C1 ZINC000370024024 392502753 /nfs/dbraw/zinc/50/27/53/392502753.db2.gz ZQHMBWOLUBOXLG-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c2cc(F)ccc2[nH+]1 ZINC000292414983 392505470 /nfs/dbraw/zinc/50/54/70/392505470.db2.gz WBPZLYRXAXYXLQ-GOSISDBHSA-N 2 1 299.393 3.214 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000647325179 392667674 /nfs/dbraw/zinc/66/76/74/392667674.db2.gz YNCHESANVWFUJV-QQXKLLMISA-N 2 1 284.447 3.253 20 0 CGADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344821 392694246 /nfs/dbraw/zinc/69/42/46/392694246.db2.gz ZVVWJNVSWPJEOR-OLMNPRSZSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308770006 392656497 /nfs/dbraw/zinc/65/64/97/392656497.db2.gz MJKHCFNIBYZTCZ-FMKPAKJESA-N 2 1 264.457 3.441 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000647344739 392695140 /nfs/dbraw/zinc/69/51/40/392695140.db2.gz YEUITZWQAFHZCQ-QGTPRVQTSA-N 2 1 284.403 3.276 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000647344739 392695148 /nfs/dbraw/zinc/69/51/48/392695148.db2.gz YEUITZWQAFHZCQ-QGTPRVQTSA-N 2 1 284.403 3.276 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)ccc2n1 ZINC000647482447 392736946 /nfs/dbraw/zinc/73/69/46/392736946.db2.gz GJTSPAGDWUPKJD-UHFFFAOYSA-N 2 1 295.430 3.260 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482419 392737485 /nfs/dbraw/zinc/73/74/85/392737485.db2.gz DMNHENKNHDTFBA-OAHLLOKOSA-N 2 1 272.436 3.082 20 0 CGADMP CCCOc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482887 392737508 /nfs/dbraw/zinc/73/75/08/392737508.db2.gz GMFKNDQWLRPSTC-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP CC[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647498462 392742536 /nfs/dbraw/zinc/74/25/36/392742536.db2.gz HSUGFXSZWYBZTD-ZBFHGGJFSA-N 2 1 260.425 3.023 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000647498266 392742623 /nfs/dbraw/zinc/74/26/23/392742623.db2.gz DHUBAMACWOOYBM-ZNMIVQPWSA-N 2 1 252.446 3.262 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(Cl)c(C)c2)CC[C@H]1[NH3+] ZINC000647498668 392742979 /nfs/dbraw/zinc/74/29/79/392742979.db2.gz MLDXVSVZVJEDGT-DZGCQCFKSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(Cl)c(C)c2)CC[C@H]1[NH3+] ZINC000647498668 392742982 /nfs/dbraw/zinc/74/29/82/392742982.db2.gz MLDXVSVZVJEDGT-DZGCQCFKSA-N 2 1 266.816 3.208 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc2cnccc21 ZINC000647505933 392744559 /nfs/dbraw/zinc/74/45/59/392744559.db2.gz QVLLJFWYSOIEOR-KRWDZBQOSA-N 2 1 271.408 3.040 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000486956375 542709290 /nfs/dbraw/zinc/70/92/90/542709290.db2.gz NLRCSLKPHZLMKZ-UHFFFAOYSA-N 2 1 293.480 3.232 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543243 392760668 /nfs/dbraw/zinc/76/06/68/392760668.db2.gz JXWKBLRGUXWVKK-RDJZCZTQSA-N 2 1 290.426 3.346 20 0 CGADMP Clc1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543028 392760701 /nfs/dbraw/zinc/76/07/01/392760701.db2.gz GTXLZDVZUYMSJR-VXGBXAGGSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543028 392760708 /nfs/dbraw/zinc/76/07/08/392760708.db2.gz GTXLZDVZUYMSJR-VXGBXAGGSA-N 2 1 299.871 3.008 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1nc2c(s1)CCCC2 ZINC000333286997 392699994 /nfs/dbraw/zinc/69/99/94/392699994.db2.gz NNVMLCQMUXGGKS-AVGNSLFASA-N 2 1 293.480 3.190 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936892 392837706 /nfs/dbraw/zinc/83/77/06/392837706.db2.gz MXKUIWSIRWNHBH-BBRMVZONSA-N 2 1 296.842 3.168 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCSCC1 ZINC000187258190 392788021 /nfs/dbraw/zinc/78/80/21/392788021.db2.gz GJDVERKZNUYPJI-WWTUQBGBSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCSCC1 ZINC000187258190 392788027 /nfs/dbraw/zinc/78/80/27/392788027.db2.gz GJDVERKZNUYPJI-WWTUQBGBSA-N 2 1 282.497 3.123 20 0 CGADMP c1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2o1 ZINC000375661470 392801025 /nfs/dbraw/zinc/80/10/25/392801025.db2.gz VKIFLAMWIVYCBC-HOTGVXAUSA-N 2 1 270.376 3.149 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815154 392808405 /nfs/dbraw/zinc/80/84/05/392808405.db2.gz RGXAWLWMTRCGOS-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP C[N@@H+](CCC[NH3+])CCCSc1ccccc1Cl ZINC000647848160 392813442 /nfs/dbraw/zinc/81/34/42/392813442.db2.gz HVMKTBFKXBQUKS-UHFFFAOYSA-N 2 1 272.845 3.103 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647872237 392818646 /nfs/dbraw/zinc/81/86/46/392818646.db2.gz JWQFUQOJKNKGRO-NSHDSACASA-N 2 1 273.207 3.035 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647872237 392818651 /nfs/dbraw/zinc/81/86/51/392818651.db2.gz JWQFUQOJKNKGRO-NSHDSACASA-N 2 1 273.207 3.035 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375808064 392822243 /nfs/dbraw/zinc/82/22/43/392822243.db2.gz RNWLKSYERBFFNL-RBSFLKMASA-N 2 1 293.842 3.006 20 0 CGADMP C[C@H](c1cccc(O)c1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647884604 392826244 /nfs/dbraw/zinc/82/62/44/392826244.db2.gz MVUIPCPEBIJIMA-CQSZACIVSA-N 2 1 276.424 3.165 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000647890052 392829411 /nfs/dbraw/zinc/82/94/11/392829411.db2.gz KBYORWLKERAGAY-SJLPKXTDSA-N 2 1 292.442 3.324 20 0 CGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000648070228 392902174 /nfs/dbraw/zinc/90/21/74/392902174.db2.gz KVWNXRPGTCZCKE-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000647967706 392849804 /nfs/dbraw/zinc/84/98/04/392849804.db2.gz WTQFINAJXYWUND-IAGOWNOFSA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000647967706 392849808 /nfs/dbraw/zinc/84/98/08/392849808.db2.gz WTQFINAJXYWUND-IAGOWNOFSA-N 2 1 292.467 3.065 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCCC1 ZINC000513696583 392853964 /nfs/dbraw/zinc/85/39/64/392853964.db2.gz AWWZNZREGLWAHQ-OAGGEKHMSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000513656585 392854491 /nfs/dbraw/zinc/85/44/91/392854491.db2.gz VMRHHKSWJOWRPT-PMPSAXMXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977065 392855856 /nfs/dbraw/zinc/85/58/56/392855856.db2.gz XPTNESCMPDCYOJ-NJAFHUGGSA-N 2 1 272.436 3.459 20 0 CGADMP FC(F)(F)CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647990010 392858529 /nfs/dbraw/zinc/85/85/29/392858529.db2.gz QFAOIKSIZCXZJX-CQSZACIVSA-N 2 1 286.341 3.051 20 0 CGADMP FC(F)(F)CC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647990010 392858534 /nfs/dbraw/zinc/85/85/34/392858534.db2.gz QFAOIKSIZCXZJX-CQSZACIVSA-N 2 1 286.341 3.051 20 0 CGADMP Cc1nc([C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)cs1 ZINC000647988815 392858614 /nfs/dbraw/zinc/85/86/14/392858614.db2.gz RPQZESDSGXKDOB-MRXNPFEDSA-N 2 1 293.480 3.368 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647989161 392858644 /nfs/dbraw/zinc/85/86/44/392858644.db2.gz RMZDPJIGRZSCLU-NVXWUHKLSA-N 2 1 258.409 3.050 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCC(C)(C)C)cc1 ZINC000647997450 392860385 /nfs/dbraw/zinc/86/03/85/392860385.db2.gz FPXQZKMEJGFGCM-OAHLLOKOSA-N 2 1 278.440 3.106 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337363314 392881190 /nfs/dbraw/zinc/88/11/90/392881190.db2.gz AHQCAZJZXZQVQP-HOTGVXAUSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000392188844 392929335 /nfs/dbraw/zinc/92/93/35/392929335.db2.gz JLHZXGRKEAUCOY-UHFFFAOYSA-N 2 1 264.457 3.443 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459350562 392941641 /nfs/dbraw/zinc/94/16/41/392941641.db2.gz GBTKPBBJFMMVRI-OAHLLOKOSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350562 392941645 /nfs/dbraw/zinc/94/16/45/392941645.db2.gz GBTKPBBJFMMVRI-OAHLLOKOSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350562 392941648 /nfs/dbraw/zinc/94/16/48/392941648.db2.gz GBTKPBBJFMMVRI-OAHLLOKOSA-N 2 1 288.426 3.476 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000521292570 542739094 /nfs/dbraw/zinc/73/90/94/542739094.db2.gz PWOMIDQQEVXNCG-HDEZJCGLSA-N 2 1 264.457 3.133 20 0 CGADMP COCCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340214331 392967097 /nfs/dbraw/zinc/96/70/97/392967097.db2.gz UVVOTQSLGGPKAU-ZWKOTPCHSA-N 2 1 290.451 3.228 20 0 CGADMP COCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340214331 392967103 /nfs/dbraw/zinc/96/71/03/392967103.db2.gz UVVOTQSLGGPKAU-ZWKOTPCHSA-N 2 1 290.451 3.228 20 0 CGADMP CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211369887 392985039 /nfs/dbraw/zinc/98/50/39/392985039.db2.gz LJYSLKDTPRRVQH-UHFFFAOYSA-N 2 1 280.415 3.354 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1C[C@H]1C ZINC000414061023 393037693 /nfs/dbraw/zinc/03/76/93/393037693.db2.gz BERMLHJCAZAFQB-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245698113 393045435 /nfs/dbraw/zinc/04/54/35/393045435.db2.gz RDECKAWLVRDXEO-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245698113 393045439 /nfs/dbraw/zinc/04/54/39/393045439.db2.gz RDECKAWLVRDXEO-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245698113 393045441 /nfs/dbraw/zinc/04/54/41/393045441.db2.gz RDECKAWLVRDXEO-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414338091 393046834 /nfs/dbraw/zinc/04/68/34/393046834.db2.gz QYKUFVRVGQYISZ-CWVYHPPDSA-N 2 1 296.499 3.287 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415037653 393106046 /nfs/dbraw/zinc/10/60/46/393106046.db2.gz GZRQIWSKJRDULV-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC[NH2+]1 ZINC000414663570 393050824 /nfs/dbraw/zinc/05/08/24/393050824.db2.gz BKCFPZXVDFAKSW-UKRRQHHQSA-N 2 1 276.399 3.178 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000414949174 393057792 /nfs/dbraw/zinc/05/77/92/393057792.db2.gz YZXMXDLHZGQALM-KBPBESRZSA-N 2 1 262.441 3.100 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414957306 393064546 /nfs/dbraw/zinc/06/45/46/393064546.db2.gz OHOUUAJRNDFPPP-WMLDXEAASA-N 2 1 288.435 3.096 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[NH2+]1 ZINC000414961832 393067032 /nfs/dbraw/zinc/06/70/32/393067032.db2.gz ZFBVLCTZLVDJGJ-QWHCGFSZSA-N 2 1 288.366 3.316 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000415053979 393115301 /nfs/dbraw/zinc/11/53/01/393115301.db2.gz PHYVFVBCOGSABY-GDBMZVCRSA-N 2 1 278.465 3.329 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(Br)c1)C1CCCC1 ZINC000415057453 393119709 /nfs/dbraw/zinc/11/97/09/393119709.db2.gz UGDUAUVQFFWZRJ-AWEZNQCLSA-N 2 1 297.240 3.056 20 0 CGADMP CCCc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415058462 393120119 /nfs/dbraw/zinc/12/01/19/393120119.db2.gz RVBQNNRNYKSRSK-RHSMWYFYSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1[NH3+] ZINC000251764482 393120254 /nfs/dbraw/zinc/12/02/54/393120254.db2.gz LZTHQTLYIIAOML-FZKQIMNGSA-N 2 1 278.399 3.426 20 0 CGADMP CCc1nc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cs1 ZINC000415058097 393120277 /nfs/dbraw/zinc/12/02/77/393120277.db2.gz SIZFTWYYMHTFKP-OAHLLOKOSA-N 2 1 289.448 3.275 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC000251968521 393120913 /nfs/dbraw/zinc/12/09/13/393120913.db2.gz YAKUEYXJPMYXNW-HJQPHTCJSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000251968521 393120920 /nfs/dbraw/zinc/12/09/20/393120920.db2.gz YAKUEYXJPMYXNW-HJQPHTCJSA-N 2 1 264.457 3.416 20 0 CGADMP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415078256 393131932 /nfs/dbraw/zinc/13/19/32/393131932.db2.gz GFLPKUDJCRLFMZ-ZWKOTPCHSA-N 2 1 284.378 3.409 20 0 CGADMP c1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415083386 393136276 /nfs/dbraw/zinc/13/62/76/393136276.db2.gz NGXATOPDHLAQSF-OALUTQOASA-N 2 1 280.415 3.312 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261554714 393141652 /nfs/dbraw/zinc/14/16/52/393141652.db2.gz BCRXUZRKLISYNJ-NDPMZMCLSA-N 2 1 264.800 3.070 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000261837129 393143536 /nfs/dbraw/zinc/14/35/36/393143536.db2.gz RRTOJWKKNCFHSV-DLBZAZTESA-N 2 1 272.436 3.092 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000415136284 393155450 /nfs/dbraw/zinc/15/54/50/393155450.db2.gz RIKHWMYVRFFGOJ-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000415136284 393155458 /nfs/dbraw/zinc/15/54/58/393155458.db2.gz RIKHWMYVRFFGOJ-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC(F)(F)CC1 ZINC000353285185 393219430 /nfs/dbraw/zinc/21/94/30/393219430.db2.gz ATLAEDUYVVXWIB-NWANDNLSSA-N 2 1 286.410 3.417 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCC1CC1 ZINC000469776845 393212999 /nfs/dbraw/zinc/21/29/99/393212999.db2.gz SYUMXWFBCSZEME-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCC1CC1 ZINC000469776845 393213004 /nfs/dbraw/zinc/21/30/04/393213004.db2.gz SYUMXWFBCSZEME-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](C)C1CCCCC1 ZINC000471764437 393301455 /nfs/dbraw/zinc/30/14/55/393301455.db2.gz XQBOEVKOBGVHNU-ZIAGYGMSSA-N 2 1 263.429 3.157 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278522564 393322376 /nfs/dbraw/zinc/32/23/76/393322376.db2.gz MYELPIZGKJFIFA-DLBZAZTESA-N 2 1 290.451 3.147 20 0 CGADMP CCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272437772 393261907 /nfs/dbraw/zinc/26/19/07/393261907.db2.gz IGJGKEBEEBSZDH-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000471009113 393271271 /nfs/dbraw/zinc/27/12/71/393271271.db2.gz UTGODEUDMTVBGB-OTWHNJEPSA-N 2 1 282.431 3.159 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000471009113 393271278 /nfs/dbraw/zinc/27/12/78/393271278.db2.gz UTGODEUDMTVBGB-OTWHNJEPSA-N 2 1 282.431 3.159 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000471009113 393271284 /nfs/dbraw/zinc/27/12/84/393271284.db2.gz UTGODEUDMTVBGB-OTWHNJEPSA-N 2 1 282.431 3.159 20 0 CGADMP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000356163994 393364887 /nfs/dbraw/zinc/36/48/87/393364887.db2.gz LJPDGIFINLXCNG-LBPRGKRZSA-N 2 1 296.817 3.096 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC000647170815 393367267 /nfs/dbraw/zinc/36/72/67/393367267.db2.gz PKZUOSRLZNIQTH-AWEZNQCLSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000477858364 393431170 /nfs/dbraw/zinc/43/11/70/393431170.db2.gz KNZHLRNYLODQED-NCOADZHNSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000488296562 393481497 /nfs/dbraw/zinc/48/14/97/393481497.db2.gz JTNWNXQYMKPDAC-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000488296562 393481499 /nfs/dbraw/zinc/48/14/99/393481499.db2.gz JTNWNXQYMKPDAC-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000488296562 393481502 /nfs/dbraw/zinc/48/15/02/393481502.db2.gz JTNWNXQYMKPDAC-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420294151 393451382 /nfs/dbraw/zinc/45/13/82/393451382.db2.gz ARTNRDXSIILVSL-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301509 393455145 /nfs/dbraw/zinc/45/51/45/393455145.db2.gz LHYKBUUNLOXILP-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@]1(c2ccccc2)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311398 393459175 /nfs/dbraw/zinc/45/91/75/393459175.db2.gz VTIXTACHEINQKB-WMZOPIPTSA-N 2 1 272.436 3.040 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420310919 393459227 /nfs/dbraw/zinc/45/92/27/393459227.db2.gz VJTKWDVPJIRDIT-JKIFEVAISA-N 2 1 276.399 3.208 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420309932 393459835 /nfs/dbraw/zinc/45/98/35/393459835.db2.gz UJQBYMUNBYDGGU-WMZOPIPTSA-N 2 1 272.436 3.256 20 0 CGADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000420318760 393462725 /nfs/dbraw/zinc/46/27/25/393462725.db2.gz OUPPGNGTTDMNBQ-CXAGYDPISA-N 2 1 254.377 3.324 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(F)c1 ZINC000420317084 393463207 /nfs/dbraw/zinc/46/32/07/393463207.db2.gz NAFAUTVQUJDAFY-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000420320542 393465225 /nfs/dbraw/zinc/46/52/25/393465225.db2.gz QOTKNSUMWOJMCG-APWZRJJASA-N 2 1 286.463 3.256 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1Cl ZINC000420324966 393468485 /nfs/dbraw/zinc/46/84/85/393468485.db2.gz VUFQDCZXWSFHTN-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359005 393472261 /nfs/dbraw/zinc/47/22/61/393472261.db2.gz FLNSRQXOBNQKLS-IRXDYDNUSA-N 2 1 258.409 3.213 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420353789 393473423 /nfs/dbraw/zinc/47/34/23/393473423.db2.gz ATEOUXYKQVPJHW-KRWDZBQOSA-N 2 1 290.451 3.261 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488409171 393502072 /nfs/dbraw/zinc/50/20/72/393502072.db2.gz ISSZCOYVKNCNJT-HUUCEWRRSA-N 2 1 295.496 3.482 20 0 CGADMP CC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000359033238 393533282 /nfs/dbraw/zinc/53/32/82/393533282.db2.gz HMYCQOJHYBKJEX-LVDPKSTMSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948772 393554894 /nfs/dbraw/zinc/55/48/94/393554894.db2.gz OEIVJCIMMGFVAZ-ZDUSSCGKSA-N 2 1 280.378 3.383 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948772 393554897 /nfs/dbraw/zinc/55/48/97/393554897.db2.gz OEIVJCIMMGFVAZ-ZDUSSCGKSA-N 2 1 280.378 3.383 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000430552312 393574714 /nfs/dbraw/zinc/57/47/14/393574714.db2.gz JXROJRJWLQQQDM-VXGBXAGGSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000430552312 393574721 /nfs/dbraw/zinc/57/47/21/393574721.db2.gz JXROJRJWLQQQDM-VXGBXAGGSA-N 2 1 284.806 3.081 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC3 ZINC000666769665 542814510 /nfs/dbraw/zinc/81/45/10/542814510.db2.gz AJJGADKMCNOIJT-CABCVRRESA-N 2 1 297.446 3.065 20 0 CGADMP Fc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)o1 ZINC000666855311 542820423 /nfs/dbraw/zinc/82/04/23/542820423.db2.gz LPAXYYGWQORPJY-ZDUSSCGKSA-N 2 1 288.366 3.317 20 0 CGADMP CC(C)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489653283 393608363 /nfs/dbraw/zinc/60/83/63/393608363.db2.gz YVASOKIGNNKPEP-UHFFFAOYSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@@](C[NH3+])([NH2+]Cc1ccccc1Oc1cccnc1)C1CC1 ZINC000430573635 393578916 /nfs/dbraw/zinc/57/89/16/393578916.db2.gz MJGWNBYKEQBKAA-SFHVURJKSA-N 2 1 297.402 3.091 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430600346 393579678 /nfs/dbraw/zinc/57/96/78/393579678.db2.gz HQQCNQXCBPUFTO-CYBMUJFWSA-N 2 1 298.883 3.364 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430600346 393579682 /nfs/dbraw/zinc/57/96/82/393579682.db2.gz HQQCNQXCBPUFTO-CYBMUJFWSA-N 2 1 298.883 3.364 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000360771711 393585513 /nfs/dbraw/zinc/58/55/13/393585513.db2.gz JIBPJVNLASFUGS-KFWWJZLASA-N 2 1 275.440 3.310 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000430709084 393589126 /nfs/dbraw/zinc/58/91/26/393589126.db2.gz MBNVKTFREKKFNQ-MLHJIOFPSA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCc2ccsc2)CC1 ZINC000360914275 393614482 /nfs/dbraw/zinc/61/44/82/393614482.db2.gz RDAQIRWDRZURKL-UHFFFAOYSA-N 2 1 280.481 3.485 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000360966469 393626456 /nfs/dbraw/zinc/62/64/56/393626456.db2.gz PKADBTWSSRXQTJ-HNNXBMFYSA-N 2 1 292.471 3.127 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000360966469 393626463 /nfs/dbraw/zinc/62/64/63/393626463.db2.gz PKADBTWSSRXQTJ-HNNXBMFYSA-N 2 1 292.471 3.127 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1Cl ZINC000422742437 393640488 /nfs/dbraw/zinc/64/04/88/393640488.db2.gz GNHPXKVESQEBPV-XHDPSFHLSA-N 2 1 266.816 3.235 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422966613 393647596 /nfs/dbraw/zinc/64/75/96/393647596.db2.gz NWBMFSNRMXORJB-MVJPYGJCSA-N 2 1 294.442 3.481 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423266983 393657217 /nfs/dbraw/zinc/65/72/17/393657217.db2.gz FAZXYLMRKPILLX-ZWNOBZJWSA-N 2 1 274.330 3.339 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CCCCC1 ZINC000423272166 393657474 /nfs/dbraw/zinc/65/74/74/393657474.db2.gz YUYWTULQVADLOU-SJORKVTESA-N 2 1 276.399 3.310 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423316942 393660998 /nfs/dbraw/zinc/66/09/98/393660998.db2.gz BSTPMHFWTFKAEU-ZWNOBZJWSA-N 2 1 274.330 3.339 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccccc21 ZINC000423339160 393662184 /nfs/dbraw/zinc/66/21/84/393662184.db2.gz ZGSDDXYDYGRHJO-ULQDDVLXSA-N 2 1 258.409 3.198 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423440711 393667583 /nfs/dbraw/zinc/66/75/83/393667583.db2.gz AWUQMODXXZQNGG-OCCSQVGLSA-N 2 1 297.240 3.153 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000423469338 393669268 /nfs/dbraw/zinc/66/92/68/393669268.db2.gz OUJZNCKNFSHDSV-KWBADKCTSA-N 2 1 297.240 3.324 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCC(F)(F)CC1 ZINC000423506723 393671496 /nfs/dbraw/zinc/67/14/96/393671496.db2.gz PGYPWOWTMUQPFP-FZMZJTMJSA-N 2 1 274.399 3.308 20 0 CGADMP FC(F)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000442653638 393737726 /nfs/dbraw/zinc/73/77/26/393737726.db2.gz REAFEJWXCIUYTQ-UHFFFAOYSA-N 2 1 272.383 3.027 20 0 CGADMP CC[N@@H+](CCCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435627470 393714866 /nfs/dbraw/zinc/71/48/66/393714866.db2.gz NOUNHPMBLPWUKA-KRWDZBQOSA-N 2 1 260.425 3.083 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000445986700 393839591 /nfs/dbraw/zinc/83/95/91/393839591.db2.gz XBYWZHSMHLOIAJ-KURKYZTESA-N 2 1 272.436 3.397 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449204880 393877097 /nfs/dbraw/zinc/87/70/97/393877097.db2.gz JWXJGVOSPFGNJL-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC12CCC2)C1CCCCC1 ZINC000502709247 393883073 /nfs/dbraw/zinc/88/30/73/393883073.db2.gz UVUHOUKYDYIYMA-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Cc2ccccc2)C1 ZINC000502717101 393883140 /nfs/dbraw/zinc/88/31/40/393883140.db2.gz WAZOWBHFRADEOZ-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453109419 394174409 /nfs/dbraw/zinc/17/44/09/394174409.db2.gz PLHCNTPTSMCIRN-PBHICJAKSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453604871 394256420 /nfs/dbraw/zinc/25/64/20/394256420.db2.gz SHEGGEUNYNGSDC-LLVKDONJSA-N 2 1 269.458 3.119 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228747 394212755 /nfs/dbraw/zinc/21/27/55/394212755.db2.gz BYMUYTSMDIHTQV-ZTFRIQLXSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228747 394212761 /nfs/dbraw/zinc/21/27/61/394212761.db2.gz BYMUYTSMDIHTQV-ZTFRIQLXSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000453398258 394232696 /nfs/dbraw/zinc/23/26/96/394232696.db2.gz KKVRRCUOYDCNBP-GFCCVEGCSA-N 2 1 282.378 3.490 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453403273 394235127 /nfs/dbraw/zinc/23/51/27/394235127.db2.gz OCMAYJOEGKSUFH-SFHVURJKSA-N 2 1 272.436 3.446 20 0 CGADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453590748 394251528 /nfs/dbraw/zinc/25/15/28/394251528.db2.gz BESQLAIAVDIDIU-BBRMVZONSA-N 2 1 276.424 3.367 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000453596499 394253393 /nfs/dbraw/zinc/25/33/93/394253393.db2.gz LMIOARHCFPSEMA-UHFFFAOYSA-N 2 1 289.398 3.271 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000668063393 542964024 /nfs/dbraw/zinc/96/40/24/542964024.db2.gz LNKLQEJIBQCSHK-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](Cc1cccc3nccn31)CC2 ZINC000668479298 543018513 /nfs/dbraw/zinc/01/85/13/543018513.db2.gz NYCUUXNXYSVIAW-UHFFFAOYSA-N 2 1 277.371 3.201 20 0 CGADMP Cc1ccc2c(c1)CN(Cc1cccc3nccn31)CC2 ZINC000668479298 543018517 /nfs/dbraw/zinc/01/85/17/543018517.db2.gz NYCUUXNXYSVIAW-UHFFFAOYSA-N 2 1 277.371 3.201 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000668747796 543055184 /nfs/dbraw/zinc/05/51/84/543055184.db2.gz LRVHLYSCFIVFQS-HNNXBMFYSA-N 2 1 290.451 3.263 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000668747796 543055187 /nfs/dbraw/zinc/05/51/87/543055187.db2.gz LRVHLYSCFIVFQS-HNNXBMFYSA-N 2 1 290.451 3.263 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC1(C)C ZINC000669419992 543104611 /nfs/dbraw/zinc/10/46/11/543104611.db2.gz ABGJVDPQELCSAT-IHRRRGAJSA-N 2 1 261.413 3.002 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(C)(C)C ZINC000670265733 543148517 /nfs/dbraw/zinc/14/85/17/543148517.db2.gz ZIZYOUULFOXRKA-KFWWJZLASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(C)(C)C ZINC000670265733 543148521 /nfs/dbraw/zinc/14/85/21/543148521.db2.gz ZIZYOUULFOXRKA-KFWWJZLASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(C)(C)C ZINC000670265733 543148524 /nfs/dbraw/zinc/14/85/24/543148524.db2.gz ZIZYOUULFOXRKA-KFWWJZLASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671296613 543166540 /nfs/dbraw/zinc/16/65/40/543166540.db2.gz YKTBTFPLIJOXMM-DOTOQJQBSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000671753809 543186762 /nfs/dbraw/zinc/18/67/62/543186762.db2.gz UKDRBNMENOZUEU-IKGGRYGDSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCc2ccccc21 ZINC000649835601 397734831 /nfs/dbraw/zinc/73/48/31/397734831.db2.gz MEIGJGQCSKKMFL-WBVHZDCISA-N 2 1 272.436 3.133 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCc2ccccc21 ZINC000649835601 397734835 /nfs/dbraw/zinc/73/48/35/397734835.db2.gz MEIGJGQCSKKMFL-WBVHZDCISA-N 2 1 272.436 3.133 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334361851 397682322 /nfs/dbraw/zinc/68/23/22/397682322.db2.gz CFHZETRZBUMNSC-IUODEOHRSA-N 2 1 274.433 3.331 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334361851 397682325 /nfs/dbraw/zinc/68/23/25/397682325.db2.gz CFHZETRZBUMNSC-IUODEOHRSA-N 2 1 274.433 3.331 20 0 CGADMP CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491062805 397708692 /nfs/dbraw/zinc/70/86/92/397708692.db2.gz SUQVGNZGFLISEY-INIZCTEOSA-N 2 1 252.446 3.375 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCc2ccccc21 ZINC000649835601 397734829 /nfs/dbraw/zinc/73/48/29/397734829.db2.gz MEIGJGQCSKKMFL-WBVHZDCISA-N 2 1 272.436 3.133 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)[C@H]1CC[NH3+] ZINC000650710973 397898929 /nfs/dbraw/zinc/89/89/29/397898929.db2.gz DVQVPLJSSJGIHO-OCCSQVGLSA-N 2 1 295.496 3.390 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)s2)[C@H]1CC[NH3+] ZINC000650710973 397898930 /nfs/dbraw/zinc/89/89/30/397898930.db2.gz DVQVPLJSSJGIHO-OCCSQVGLSA-N 2 1 295.496 3.390 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)[C@H]1CC[NH3+] ZINC000650711246 397899174 /nfs/dbraw/zinc/89/91/74/397899174.db2.gz MVKYHBMYHIFKMA-KSSFIOAISA-N 2 1 298.434 3.026 20 0 CGADMP Clc1ccccc1C1([NH2+][C@H]2CCC[NH2+]CC2)CCC1 ZINC000650740197 397904333 /nfs/dbraw/zinc/90/43/33/397904333.db2.gz IOOZHUNMRMWNED-ZDUSSCGKSA-N 2 1 278.827 3.451 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000677820480 543468003 /nfs/dbraw/zinc/46/80/03/543468003.db2.gz OVWAKHJBMSXLJC-INIZCTEOSA-N 2 1 273.355 3.168 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000677820480 543468006 /nfs/dbraw/zinc/46/80/06/543468006.db2.gz OVWAKHJBMSXLJC-INIZCTEOSA-N 2 1 273.355 3.168 20 0 CGADMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678141219 543487542 /nfs/dbraw/zinc/48/75/42/543487542.db2.gz SDSWEWJUGIDHAH-OAHLLOKOSA-N 2 1 278.440 3.247 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678222757 543496147 /nfs/dbraw/zinc/49/61/47/543496147.db2.gz UPHJOBMVGATKIT-JKSUJKDBSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678285588 543511639 /nfs/dbraw/zinc/51/16/39/543511639.db2.gz OOHRXAPNSAZPDY-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678285588 543511640 /nfs/dbraw/zinc/51/16/40/543511640.db2.gz OOHRXAPNSAZPDY-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678285588 543511641 /nfs/dbraw/zinc/51/16/41/543511641.db2.gz OOHRXAPNSAZPDY-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678285588 543511642 /nfs/dbraw/zinc/51/16/42/543511642.db2.gz OOHRXAPNSAZPDY-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678265535 543504233 /nfs/dbraw/zinc/50/42/33/543504233.db2.gz VPRURMOKDNUYTP-INIZCTEOSA-N 2 1 290.451 3.392 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nccc4ccccc43)CC[C@H]21 ZINC000678338423 543515433 /nfs/dbraw/zinc/51/54/33/543515433.db2.gz CNDNEMWNCRXXOR-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nccc4ccccc43)CC[C@H]21 ZINC000678338423 543515434 /nfs/dbraw/zinc/51/54/34/543515434.db2.gz CNDNEMWNCRXXOR-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000678926386 543572361 /nfs/dbraw/zinc/57/23/61/543572361.db2.gz AZJLNGULCMCOLX-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261985319 286390550 /nfs/dbraw/zinc/39/05/50/286390550.db2.gz JRMXENBKVYKHII-ROUUACIJSA-N 2 1 288.435 3.004 20 0 CGADMP COCCC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183186288 292378269 /nfs/dbraw/zinc/37/82/69/292378269.db2.gz NDTIQGMJQXZLLA-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000359662046 286802880 /nfs/dbraw/zinc/80/28/80/286802880.db2.gz ISKWYEADWVOIBE-CMPLNLGQSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@@H]([NH2+]CC1(C)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000432860622 287016951 /nfs/dbraw/zinc/01/69/51/287016951.db2.gz TVBMDBHSLWQIHM-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347927606 287021353 /nfs/dbraw/zinc/02/13/53/287021353.db2.gz IAWRMPSAHXQYCX-NEPJUHHUSA-N 2 1 278.362 3.181 20 0 CGADMP Fc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076446350 287033863 /nfs/dbraw/zinc/03/38/63/287033863.db2.gz LKDQBAJQRYTJKH-KRWDZBQOSA-N 2 1 298.405 3.437 20 0 CGADMP Fc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446350 287033865 /nfs/dbraw/zinc/03/38/65/287033865.db2.gz LKDQBAJQRYTJKH-KRWDZBQOSA-N 2 1 298.405 3.437 20 0 CGADMP CSCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109896 165112508 /nfs/dbraw/zinc/11/25/08/165112508.db2.gz SLOYLJYCJNZYJH-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CSCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109896 165112510 /nfs/dbraw/zinc/11/25/10/165112510.db2.gz SLOYLJYCJNZYJH-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CSCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109896 165112514 /nfs/dbraw/zinc/11/25/14/165112514.db2.gz SLOYLJYCJNZYJH-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000087409166 165186235 /nfs/dbraw/zinc/18/62/35/165186235.db2.gz NVQNLAZFZSKRDK-AWEZNQCLSA-N 2 1 292.471 3.034 20 0 CGADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000087409166 165186239 /nfs/dbraw/zinc/18/62/39/165186239.db2.gz NVQNLAZFZSKRDK-AWEZNQCLSA-N 2 1 292.471 3.034 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000090585806 165238917 /nfs/dbraw/zinc/23/89/17/165238917.db2.gz HEVDYZVRZINDJS-JKSUJKDBSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000090585806 165238920 /nfs/dbraw/zinc/23/89/20/165238920.db2.gz HEVDYZVRZINDJS-JKSUJKDBSA-N 2 1 275.440 3.100 20 0 CGADMP CCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000090399777 287100640 /nfs/dbraw/zinc/10/06/40/287100640.db2.gz DHGSPHHHFNRLMP-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1F ZINC000093496105 165331079 /nfs/dbraw/zinc/33/10/79/165331079.db2.gz OMFVABVGTURHQT-UKRRQHHQSA-N 2 1 264.388 3.226 20 0 CGADMP CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000093945000 165342664 /nfs/dbraw/zinc/34/26/64/165342664.db2.gz NHTRAKCCAHFKNM-XDNAFOTISA-N 2 1 296.499 3.028 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000093597866 287117618 /nfs/dbraw/zinc/11/76/18/287117618.db2.gz KCAFTRGHSJZGNE-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000094278216 287122034 /nfs/dbraw/zinc/12/20/34/287122034.db2.gz HUVFJDXYERLNRC-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccoc1 ZINC000094867457 287122597 /nfs/dbraw/zinc/12/25/97/287122597.db2.gz SEXHFNKKNPTNES-KBPBESRZSA-N 2 1 250.386 3.195 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccoc1 ZINC000094867457 287122600 /nfs/dbraw/zinc/12/26/00/287122600.db2.gz SEXHFNKKNPTNES-KBPBESRZSA-N 2 1 250.386 3.195 20 0 CGADMP CCCc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261969979 165845750 /nfs/dbraw/zinc/84/57/50/165845750.db2.gz IDHURRXXQGGSLC-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000113516402 287147868 /nfs/dbraw/zinc/14/78/68/287147868.db2.gz GLRAPNGGLRFNON-MRXNPFEDSA-N 2 1 298.430 3.102 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000113516402 287147871 /nfs/dbraw/zinc/14/78/71/287147871.db2.gz GLRAPNGGLRFNON-MRXNPFEDSA-N 2 1 298.430 3.102 20 0 CGADMP Cc1ccc(C)c(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123297367 287218180 /nfs/dbraw/zinc/21/81/80/287218180.db2.gz FJIIOXPIKPIRSV-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123297367 287218182 /nfs/dbraw/zinc/21/81/82/287218182.db2.gz FJIIOXPIKPIRSV-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123297367 287218184 /nfs/dbraw/zinc/21/81/84/287218184.db2.gz FJIIOXPIKPIRSV-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123297367 287218189 /nfs/dbraw/zinc/21/81/89/287218189.db2.gz FJIIOXPIKPIRSV-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP CCC[C@@H](C)[C@H](CC)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124470933 287233852 /nfs/dbraw/zinc/23/38/52/287233852.db2.gz XQMPITAYCQMKDI-AEFFLSMTSA-N 2 1 297.531 3.064 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2C)C2CC2)C1 ZINC000284540582 196080262 /nfs/dbraw/zinc/08/02/62/196080262.db2.gz XLZCQFZUODSKFE-APWZRJJASA-N 2 1 286.463 3.248 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000020189747 171055698 /nfs/dbraw/zinc/05/56/98/171055698.db2.gz ZWDXMXPRIAHXFS-AWEZNQCLSA-N 2 1 276.424 3.220 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC)cc2)CC1 ZINC000020189535 171055804 /nfs/dbraw/zinc/05/58/04/171055804.db2.gz LNKGJHQWAFTWJG-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1F ZINC000020189381 171056040 /nfs/dbraw/zinc/05/60/40/171056040.db2.gz NYJOBDIFXYOYDV-ZDUSSCGKSA-N 2 1 294.414 3.358 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000020209605 171073405 /nfs/dbraw/zinc/07/34/05/171073405.db2.gz OTMMAHOATJURGG-UHFFFAOYSA-N 2 1 266.816 3.302 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000285374065 196265012 /nfs/dbraw/zinc/26/50/12/196265012.db2.gz GBFKXYVZZMFNMK-NHZBNJEXSA-N 2 1 294.389 3.300 20 0 CGADMP C[NH+]1CCC([NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000037248644 173061006 /nfs/dbraw/zinc/06/10/06/173061006.db2.gz FKLKBUCMBGJWAH-UHFFFAOYSA-N 2 1 272.436 3.397 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267096 173077253 /nfs/dbraw/zinc/07/72/53/173077253.db2.gz RFYFVZOHPMEOBD-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP CCC[N@@H+](Cc1cccc2cccnc21)C1CC[NH2+]CC1 ZINC000037539290 173259893 /nfs/dbraw/zinc/25/98/93/173259893.db2.gz JDLQWDHWHVNZBB-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP CCC[N@@H+](CCOc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000037539175 173260123 /nfs/dbraw/zinc/26/01/23/173260123.db2.gz PNCVNBQFRPOKQM-UHFFFAOYSA-N 2 1 296.842 3.183 20 0 CGADMP COc1cccc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000127322796 287285751 /nfs/dbraw/zinc/28/57/51/287285751.db2.gz GZHZTKJAASTUSB-AWEZNQCLSA-N 2 1 287.407 3.283 20 0 CGADMP COc1cccc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000127322796 287285753 /nfs/dbraw/zinc/28/57/53/287285753.db2.gz GZHZTKJAASTUSB-AWEZNQCLSA-N 2 1 287.407 3.283 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1cccc(O)c1)C[NH+]1CCCCC1 ZINC000038041812 174043305 /nfs/dbraw/zinc/04/33/05/174043305.db2.gz WKJHOVZVNKWMEP-GJZGRUSLSA-N 2 1 276.424 3.165 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc2c(c1)CCO2 ZINC000038098201 174113793 /nfs/dbraw/zinc/11/37/93/174113793.db2.gz KTPWOKCBZYYHGZ-QGZVFWFLSA-N 2 1 288.435 3.147 20 0 CGADMP Cc1ccsc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127750612 287295362 /nfs/dbraw/zinc/29/53/62/287295362.db2.gz WTCASQDYTQFJEW-UHFFFAOYSA-N 2 1 264.438 3.117 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441356591 287299687 /nfs/dbraw/zinc/29/96/87/287299687.db2.gz MIHSGMRNUKBORQ-KURKYZTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441356591 287299688 /nfs/dbraw/zinc/29/96/88/287299688.db2.gz MIHSGMRNUKBORQ-KURKYZTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441356591 287299691 /nfs/dbraw/zinc/29/96/91/287299691.db2.gz MIHSGMRNUKBORQ-KURKYZTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441356591 287299692 /nfs/dbraw/zinc/29/96/92/287299692.db2.gz MIHSGMRNUKBORQ-KURKYZTESA-N 2 1 296.499 3.388 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000071142111 176039840 /nfs/dbraw/zinc/03/98/40/176039840.db2.gz OTGHYTNRRPZCDO-KRWDZBQOSA-N 2 1 280.415 3.395 20 0 CGADMP CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000228922164 416522797 /nfs/dbraw/zinc/52/27/97/416522797.db2.gz HGQNCUWDWMWDSA-ULQDDVLXSA-N 2 1 276.399 3.493 20 0 CGADMP c1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000317090653 416539988 /nfs/dbraw/zinc/53/99/88/416539988.db2.gz APNKPNFENONSPN-HKUYNNGSSA-N 2 1 295.430 3.199 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000317090653 416539992 /nfs/dbraw/zinc/53/99/92/416539992.db2.gz APNKPNFENONSPN-HKUYNNGSSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000404341829 416551298 /nfs/dbraw/zinc/55/12/98/416551298.db2.gz FIVLCEXHXOTYOM-BFYDXBDKSA-N 2 1 260.425 3.239 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404309925 416552479 /nfs/dbraw/zinc/55/24/79/416552479.db2.gz JXPHUUVEHFUOEQ-YOEHRIQHSA-N 2 1 276.424 3.035 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000122254227 416503485 /nfs/dbraw/zinc/50/34/85/416503485.db2.gz MMCJBOFTLCFYRN-QAPCUYQASA-N 2 1 268.404 3.399 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2c(C)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000123598942 416506642 /nfs/dbraw/zinc/50/66/42/416506642.db2.gz LGZRFDDFMKETSM-BBRMVZONSA-N 2 1 272.392 3.300 20 0 CGADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000679341964 543622161 /nfs/dbraw/zinc/62/21/61/543622161.db2.gz PROIYOMJVAUMCO-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000130231761 287347953 /nfs/dbraw/zinc/34/79/53/287347953.db2.gz KHXYCHDRPJHGRW-CVEARBPZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449081820 287348226 /nfs/dbraw/zinc/34/82/26/287348226.db2.gz IEZSYYLRTBODLI-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000679536197 543644196 /nfs/dbraw/zinc/64/41/96/543644196.db2.gz MCEMMMDEZGONJM-QGZVFWFLSA-N 2 1 283.419 3.243 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000679536197 543644197 /nfs/dbraw/zinc/64/41/97/543644197.db2.gz MCEMMMDEZGONJM-QGZVFWFLSA-N 2 1 283.419 3.243 20 0 CGADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000130216045 287347416 /nfs/dbraw/zinc/34/74/16/287347416.db2.gz VWWYOBPQKZLHPE-YYIAUSFCSA-N 2 1 262.441 3.172 20 0 CGADMP CCC(CC)(CC)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000679840940 543664339 /nfs/dbraw/zinc/66/43/39/543664339.db2.gz RPVGDUDYCPJGGV-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000680352967 543702616 /nfs/dbraw/zinc/70/26/16/543702616.db2.gz WJYSBHCOFKTXJH-WDSOQIARSA-N 2 1 284.447 3.429 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000681755449 543806619 /nfs/dbraw/zinc/80/66/19/543806619.db2.gz VDUKZQYEZIZZOH-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CC[N@H+]1CCCC[C@H]1CNc1cc[nH+]c2c(O)cccc12 ZINC000682240120 543836223 /nfs/dbraw/zinc/83/62/23/543836223.db2.gz YTBLXVGQQJWWDY-ZDUSSCGKSA-N 2 1 285.391 3.227 20 0 CGADMP CC[NH+](CC)Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000682500396 543848954 /nfs/dbraw/zinc/84/89/54/543848954.db2.gz SNIPTEZQNVOYIL-QAPCUYQASA-N 2 1 289.467 3.423 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000683816153 543944549 /nfs/dbraw/zinc/94/45/49/543944549.db2.gz LMNZSMIEDKPYII-LZLYRXPVSA-N 2 1 290.451 3.084 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)CC1 ZINC000683841387 543948008 /nfs/dbraw/zinc/94/80/08/543948008.db2.gz OFYIKARZPCGLPX-GOSISDBHSA-N 2 1 283.419 3.151 20 0 CGADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3c(O)cccc23)C1 ZINC000684571926 544014457 /nfs/dbraw/zinc/01/44/57/544014457.db2.gz ROAWIYZUFWBPOE-CYBMUJFWSA-N 2 1 285.391 3.083 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C\c2ccccc2)C1 ZINC000685470890 544078344 /nfs/dbraw/zinc/07/83/44/544078344.db2.gz ZXVORFREIFDGQP-MEDMHYDHSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C\c2ccccc2)C1 ZINC000685470890 544078346 /nfs/dbraw/zinc/07/83/46/544078346.db2.gz ZXVORFREIFDGQP-MEDMHYDHSA-N 2 1 270.420 3.116 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C\c2ccccc2)C1 ZINC000685470890 544078347 /nfs/dbraw/zinc/07/83/47/544078347.db2.gz ZXVORFREIFDGQP-MEDMHYDHSA-N 2 1 270.420 3.116 20 0 CGADMP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685471205 544078885 /nfs/dbraw/zinc/07/88/85/544078885.db2.gz XAXRCKSJVZUJDD-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2C2CC2)C1 ZINC000685471131 544079082 /nfs/dbraw/zinc/07/90/82/544079082.db2.gz OENQQBFXLXFPFV-IEBWSBKVSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471131 544079084 /nfs/dbraw/zinc/07/90/84/544079084.db2.gz OENQQBFXLXFPFV-IEBWSBKVSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471131 544079086 /nfs/dbraw/zinc/07/90/86/544079086.db2.gz OENQQBFXLXFPFV-IEBWSBKVSA-N 2 1 284.447 3.480 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000685658062 544093350 /nfs/dbraw/zinc/09/33/50/544093350.db2.gz GSTDDVVHQSQNPH-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000685658062 544093351 /nfs/dbraw/zinc/09/33/51/544093351.db2.gz GSTDDVVHQSQNPH-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000132409036 287403175 /nfs/dbraw/zinc/40/31/75/287403175.db2.gz IHZANKMKNPEZLL-QWHCGFSZSA-N 2 1 289.345 3.292 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)Nc1cc[nH+]c2c(O)cccc12 ZINC000685921731 544108815 /nfs/dbraw/zinc/10/88/15/544108815.db2.gz QUHSDODPMNSAIN-LBPRGKRZSA-N 2 1 273.380 3.081 20 0 CGADMP CC[C@H]([NH2+]CCO[C@@H](CC)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000650742004 418936259 /nfs/dbraw/zinc/93/62/59/418936259.db2.gz PLWZLFSICYYDNW-BZSNNMDCSA-N 2 1 290.451 3.275 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@H](C)OC)C1CCCCC1 ZINC000652237642 418939803 /nfs/dbraw/zinc/93/98/03/418939803.db2.gz XQZQLDRSRPYGGS-GJZGRUSLSA-N 2 1 270.461 3.044 20 0 CGADMP Cc1ccc(C2([NH2+]CCCc3c[nH+]cn3C)CCC2)cc1 ZINC000653777077 419082693 /nfs/dbraw/zinc/08/26/93/419082693.db2.gz UTQNXTUBWIQOFQ-UHFFFAOYSA-N 2 1 283.419 3.330 20 0 CGADMP Clc1cccc([C@H]2CCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)c1 ZINC000665241646 419089224 /nfs/dbraw/zinc/08/92/24/419089224.db2.gz VDLLKWIJWFWHNV-BPUTZDHNSA-N 2 1 278.827 3.318 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665249090 419091979 /nfs/dbraw/zinc/09/19/79/419091979.db2.gz JNGNYGHKMLMBTP-CQSZACIVSA-N 2 1 276.424 3.398 20 0 CGADMP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000653610735 419059217 /nfs/dbraw/zinc/05/92/17/419059217.db2.gz VGDRLWAALVAFPA-VXGBXAGGSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCc1c[nH+]cn1C ZINC000653610735 419059220 /nfs/dbraw/zinc/05/92/20/419059220.db2.gz VGDRLWAALVAFPA-VXGBXAGGSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655716862 419075176 /nfs/dbraw/zinc/07/51/76/419075176.db2.gz ZEYAQNOCRGJIPY-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660116419 419079682 /nfs/dbraw/zinc/07/96/82/419079682.db2.gz YGMSECXAMKBQOI-ZQOJQMTGSA-N 2 1 288.479 3.371 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000660116419 419079684 /nfs/dbraw/zinc/07/96/84/419079684.db2.gz YGMSECXAMKBQOI-ZQOJQMTGSA-N 2 1 288.479 3.371 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000660116419 419079687 /nfs/dbraw/zinc/07/96/87/419079687.db2.gz YGMSECXAMKBQOI-ZQOJQMTGSA-N 2 1 288.479 3.371 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000655939310 419129524 /nfs/dbraw/zinc/12/95/24/419129524.db2.gz FZXQRBIOOFVEID-XIRDDKMYSA-N 2 1 294.483 3.031 20 0 CGADMP c1[nH+]c(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)n2c1CCCC2 ZINC000660437448 419143104 /nfs/dbraw/zinc/14/31/04/419143104.db2.gz ZDGJGNYPSOTTKD-ACHSLPGTSA-N 2 1 299.462 3.445 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C1CC1)C2 ZINC000660662401 419179685 /nfs/dbraw/zinc/17/96/85/419179685.db2.gz JRURXFYFTXWSTK-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C1CC1)C2 ZINC000660662401 419179687 /nfs/dbraw/zinc/17/96/87/419179687.db2.gz JRURXFYFTXWSTK-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C1CC1)C2 ZINC000660662401 419179689 /nfs/dbraw/zinc/17/96/89/419179689.db2.gz JRURXFYFTXWSTK-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655943608 419128695 /nfs/dbraw/zinc/12/86/95/419128695.db2.gz RMDAGYCDMLMTBI-WIHSUSGWSA-N 2 1 258.409 3.341 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657335404 419253697 /nfs/dbraw/zinc/25/36/97/419253697.db2.gz PRAIOMCBFWLVQK-ZDUSSCGKSA-N 2 1 289.448 3.116 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786996 419219913 /nfs/dbraw/zinc/21/99/13/419219913.db2.gz ZBMGAZPLHSBLSN-MRXNPFEDSA-N 2 1 276.399 3.037 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661578006 419274858 /nfs/dbraw/zinc/27/48/58/419274858.db2.gz HMDIMNRQEUKSPM-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661578006 419274861 /nfs/dbraw/zinc/27/48/61/419274861.db2.gz HMDIMNRQEUKSPM-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cc21 ZINC000657492017 419292859 /nfs/dbraw/zinc/29/28/59/419292859.db2.gz OLECAVXLOWEVEU-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000657753462 419338452 /nfs/dbraw/zinc/33/84/52/419338452.db2.gz WKLCCWQFUXMVKD-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320695 419389458 /nfs/dbraw/zinc/38/94/58/419389458.db2.gz DJVJMEPUGXIYGB-QZTJIDSGSA-N 2 1 290.451 3.180 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)[C@@H]1CCC[NH3+] ZINC000662316656 419390448 /nfs/dbraw/zinc/39/04/48/419390448.db2.gz LNAAFPFDKQBZDS-GHMZBOCLSA-N 2 1 287.860 3.136 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)[C@@H]1CCC[NH3+] ZINC000662316656 419390453 /nfs/dbraw/zinc/39/04/53/419390453.db2.gz LNAAFPFDKQBZDS-GHMZBOCLSA-N 2 1 287.860 3.136 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCSc1cccc(Cl)c1 ZINC000662247816 419373451 /nfs/dbraw/zinc/37/34/51/419373451.db2.gz LQXQOELVUOEARH-AWEZNQCLSA-N 2 1 286.872 3.395 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)C[C@H]21 ZINC000662267257 419375134 /nfs/dbraw/zinc/37/51/34/419375134.db2.gz TZNAFMAXNYUQKM-PSBWJHGTSA-N 2 1 284.447 3.166 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC23CC3)C1 ZINC000657836765 419380715 /nfs/dbraw/zinc/38/07/15/419380715.db2.gz BBTUFGMTHAEFMU-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP CC(C)=CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274815 419382476 /nfs/dbraw/zinc/38/24/76/419382476.db2.gz XIEKAQXMDNCGJR-CVEARBPZSA-N 2 1 250.430 3.054 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000657842365 419383762 /nfs/dbraw/zinc/38/37/62/419383762.db2.gz BAFOEVYKDQSAJU-KBPBESRZSA-N 2 1 287.407 3.210 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000657842365 419383767 /nfs/dbraw/zinc/38/37/67/419383767.db2.gz BAFOEVYKDQSAJU-KBPBESRZSA-N 2 1 287.407 3.210 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658011380 419491424 /nfs/dbraw/zinc/49/14/24/419491424.db2.gz CPRZWAKEQHUZKC-NEPJUHHUSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658011380 419491434 /nfs/dbraw/zinc/49/14/34/419491434.db2.gz CPRZWAKEQHUZKC-NEPJUHHUSA-N 2 1 262.388 3.130 20 0 CGADMP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000658077198 419546084 /nfs/dbraw/zinc/54/60/84/419546084.db2.gz OZPAVTBDJYZDSS-INIZCTEOSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000663502174 419636526 /nfs/dbraw/zinc/63/65/26/419636526.db2.gz DEZHGZXDWTWOGW-INMHGKMJSA-N 2 1 272.436 3.036 20 0 CGADMP Cc1cc(C(F)(F)F)cc(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000663452707 419609543 /nfs/dbraw/zinc/60/95/43/419609543.db2.gz SWVPFIURUFCKHR-VIFPVBQESA-N 2 1 275.318 3.161 20 0 CGADMP CC(C)(C)OC1CC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663470263 419627731 /nfs/dbraw/zinc/62/77/31/419627731.db2.gz UGONSIBRAISECX-GTPINHCMSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229275 419688960 /nfs/dbraw/zinc/68/89/60/419688960.db2.gz PZIVWKGPRGTPBI-IJEWVQPXSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229275 419688965 /nfs/dbraw/zinc/68/89/65/419688965.db2.gz PZIVWKGPRGTPBI-IJEWVQPXSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000658265874 419718309 /nfs/dbraw/zinc/71/83/09/419718309.db2.gz VSTARZLPEYOQHT-XOYOTBSWSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccsc2)CC[N@@H+]1C ZINC000360966291 261139050 /nfs/dbraw/zinc/13/90/50/261139050.db2.gz OGDKUSLKVLNXDF-DZGCQCFKSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccsc2)CC[N@H+]1C ZINC000360966291 261139052 /nfs/dbraw/zinc/13/90/52/261139052.db2.gz OGDKUSLKVLNXDF-DZGCQCFKSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCc2ccsc2)CC[NH+]1C ZINC000360966291 261139053 /nfs/dbraw/zinc/13/90/53/261139053.db2.gz OGDKUSLKVLNXDF-DZGCQCFKSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccsc2)CC[NH+]1C ZINC000360966291 261139055 /nfs/dbraw/zinc/13/90/55/261139055.db2.gz OGDKUSLKVLNXDF-DZGCQCFKSA-N 2 1 266.454 3.095 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000108429124 270050666 /nfs/dbraw/zinc/05/06/66/270050666.db2.gz FALWPJPHKHSALZ-OAHLLOKOSA-N 2 1 284.403 3.378 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000108429124 270050667 /nfs/dbraw/zinc/05/06/67/270050667.db2.gz FALWPJPHKHSALZ-OAHLLOKOSA-N 2 1 284.403 3.378 20 0 CGADMP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@@H](c2ccco2)C1 ZINC000519175576 265351414 /nfs/dbraw/zinc/35/14/14/265351414.db2.gz PDPQUGDJGWDKMG-GOEBONIOSA-N 2 1 287.407 3.419 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@@H](c2ccco2)C1 ZINC000519175576 265351415 /nfs/dbraw/zinc/35/14/15/265351415.db2.gz PDPQUGDJGWDKMG-GOEBONIOSA-N 2 1 287.407 3.419 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181189 270067930 /nfs/dbraw/zinc/06/79/30/270067930.db2.gz YJIHWDSOQFSJPK-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181189 270067931 /nfs/dbraw/zinc/06/79/31/270067931.db2.gz YJIHWDSOQFSJPK-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181189 270067932 /nfs/dbraw/zinc/06/79/32/270067932.db2.gz YJIHWDSOQFSJPK-OALUTQOASA-N 2 1 286.463 3.425 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000189372968 270071358 /nfs/dbraw/zinc/07/13/58/270071358.db2.gz OLEAMEWEIRRNQE-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000223090616 270086234 /nfs/dbraw/zinc/08/62/34/270086234.db2.gz RYJASKXOXVYWSC-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000223090616 270086235 /nfs/dbraw/zinc/08/62/35/270086235.db2.gz RYJASKXOXVYWSC-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP CCC1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000223193711 270086400 /nfs/dbraw/zinc/08/64/00/270086400.db2.gz AKIRLIWNCIZDPT-LBDPXKHJSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227872405 270087631 /nfs/dbraw/zinc/08/76/31/270087631.db2.gz DPTKHEMANDMTQZ-NUEKZKHPSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCCc2ccccc21 ZINC000459490465 270096437 /nfs/dbraw/zinc/09/64/37/270096437.db2.gz YRRUJVGXNNEAAG-LJQANCHMSA-N 2 1 284.447 3.455 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000527099952 270125355 /nfs/dbraw/zinc/12/53/55/270125355.db2.gz VZVMRYHJQAMZAJ-RDJZCZTQSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527652632 270131089 /nfs/dbraw/zinc/13/10/89/270131089.db2.gz GJPHTRDGVRIOKY-JHNDHUHGSA-N 2 1 264.457 3.131 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000527844546 270139203 /nfs/dbraw/zinc/13/92/03/270139203.db2.gz BJEGMCZFQHLFHI-ZWKOTPCHSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC12CC2 ZINC000527888062 270142281 /nfs/dbraw/zinc/14/22/81/270142281.db2.gz QHGWQRPDJFCDOY-HWMZRRJGSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527892516 270142319 /nfs/dbraw/zinc/14/23/19/270142319.db2.gz GBMOKLURAAWJHX-CGTJXYLNSA-N 2 1 284.447 3.287 20 0 CGADMP CC(C)c1cccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000527892781 270142397 /nfs/dbraw/zinc/14/23/97/270142397.db2.gz ORTFMGZVCSWFQU-CQSZACIVSA-N 2 1 271.408 3.437 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527985981 270148528 /nfs/dbraw/zinc/14/85/28/270148528.db2.gz OFLCXHQTDNSUNS-KLHDSHLOSA-N 2 1 250.430 3.051 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529546102 270183651 /nfs/dbraw/zinc/18/36/51/270183651.db2.gz UDTHYCZIZVUNLR-UONOGXRCSA-N 2 1 288.426 3.378 20 0 CGADMP COc1ccc([C@H]([NH2+]CC2CC=CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000530215810 270195784 /nfs/dbraw/zinc/19/57/84/270195784.db2.gz JGRMRGKEPWPLJU-ROUUACIJSA-N 2 1 286.419 3.044 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)[C@@H](C)C2 ZINC000530216183 270195938 /nfs/dbraw/zinc/19/59/38/270195938.db2.gz NPHBVVDFZXWYBG-RRQGHBQHSA-N 2 1 270.420 3.103 20 0 CGADMP CCc1noc(C)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531815770 270210056 /nfs/dbraw/zinc/21/00/56/270210056.db2.gz NCEGZLIRKQTBOM-UHFFFAOYSA-N 2 1 293.455 3.098 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCC(C)CC1 ZINC000236729007 287653558 /nfs/dbraw/zinc/65/35/58/287653558.db2.gz WZGIQUKDLVQHEK-GOEBONIOSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423393218 274217026 /nfs/dbraw/zinc/21/70/26/274217026.db2.gz MAZJQJDVJHECPQ-ZKYQVNSYSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[C@H]1[NH3+] ZINC000251718272 274366279 /nfs/dbraw/zinc/36/62/79/274366279.db2.gz JTYCUFYEHLRFFB-ZWNOBZJWSA-N 2 1 275.783 3.062 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415065485 274475153 /nfs/dbraw/zinc/47/51/53/274475153.db2.gz MWQNILGTZSWMHM-CZUORRHYSA-N 2 1 252.446 3.452 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)C1CC1 ZINC000423314431 274961420 /nfs/dbraw/zinc/96/14/20/274961420.db2.gz HEBBQQXCSWXHTH-OLZOCXBDSA-N 2 1 282.840 3.204 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCc2ccccc2CC1 ZINC000423303788 275981507 /nfs/dbraw/zinc/98/15/07/275981507.db2.gz XMWJIXBOCRLYEM-KRWDZBQOSA-N 2 1 260.425 3.041 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261573190 276025272 /nfs/dbraw/zinc/02/52/72/276025272.db2.gz VAOZEADIJPKRRH-DOTOQJQBSA-N 2 1 260.425 3.315 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451411921 276096492 /nfs/dbraw/zinc/09/64/92/276096492.db2.gz VWLCGEMZZLAAOA-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451411921 276096494 /nfs/dbraw/zinc/09/64/94/276096494.db2.gz VWLCGEMZZLAAOA-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC2CCC(F)(F)CC2)CC1 ZINC000459353945 276149116 /nfs/dbraw/zinc/14/91/16/276149116.db2.gz IOHIKIVEYRPCEP-UHFFFAOYSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC2CCC(F)(F)CC2)CC1 ZINC000459353945 276149118 /nfs/dbraw/zinc/14/91/18/276149118.db2.gz IOHIKIVEYRPCEP-UHFFFAOYSA-N 2 1 274.399 3.228 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000177944642 276148721 /nfs/dbraw/zinc/14/87/21/276148721.db2.gz SVLPJDIABDGMNU-KDOFPFPSSA-N 2 1 284.447 3.483 20 0 CGADMP CC1CCC(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000245785147 276188598 /nfs/dbraw/zinc/18/85/98/276188598.db2.gz VDPIBNKAVUYPOG-BHDPWAOGSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000245785147 276188599 /nfs/dbraw/zinc/18/85/99/276188599.db2.gz VDPIBNKAVUYPOG-BHDPWAOGSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245785147 276188600 /nfs/dbraw/zinc/18/86/00/276188600.db2.gz VDPIBNKAVUYPOG-BHDPWAOGSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245785147 276188601 /nfs/dbraw/zinc/18/86/01/276188601.db2.gz VDPIBNKAVUYPOG-BHDPWAOGSA-N 2 1 252.446 3.227 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129318520 276221786 /nfs/dbraw/zinc/22/17/86/276221786.db2.gz WIPWVADKIYOPGK-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC(C)C)CC2)[C@@H](C)C1 ZINC000246553869 276228194 /nfs/dbraw/zinc/22/81/94/276228194.db2.gz WSCNUJISXPHGFS-GJZGRUSLSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CC2(SC)CCC2)CC1 ZINC000356069385 276257566 /nfs/dbraw/zinc/25/75/66/276257566.db2.gz VJTOQFGFYMEWFJ-UHFFFAOYSA-N 2 1 270.486 3.078 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353953588 276395791 /nfs/dbraw/zinc/39/57/91/276395791.db2.gz GHLCHKNANUOYKJ-NWDGAFQWSA-N 2 1 278.362 3.039 20 0 CGADMP CC[C@H]1C[C@@H](C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CCO1 ZINC000449383997 276638516 /nfs/dbraw/zinc/63/85/16/276638516.db2.gz LMRSKCDRPUIHJG-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3CCCCC3)CC[C@@H]21 ZINC000483266785 277068421 /nfs/dbraw/zinc/06/84/21/277068421.db2.gz GCJVZGMOELFZBD-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]21 ZINC000483266785 277068422 /nfs/dbraw/zinc/06/84/22/277068422.db2.gz GCJVZGMOELFZBD-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]21 ZINC000483266785 277068423 /nfs/dbraw/zinc/06/84/23/277068423.db2.gz GCJVZGMOELFZBD-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000414197364 277073490 /nfs/dbraw/zinc/07/34/90/277073490.db2.gz WHTCRDOXEVCLDW-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC3CCCCC3)CC[C@H]21 ZINC000483266781 277083664 /nfs/dbraw/zinc/08/36/64/277083664.db2.gz GCJVZGMOELFZBD-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC3CCCCC3)CC[C@H]21 ZINC000483266781 277083665 /nfs/dbraw/zinc/08/36/65/277083665.db2.gz GCJVZGMOELFZBD-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC3CCCCC3)CC[C@H]21 ZINC000483266781 277083668 /nfs/dbraw/zinc/08/36/68/277083668.db2.gz GCJVZGMOELFZBD-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3cccnc32)C1 ZINC000269135547 277158094 /nfs/dbraw/zinc/15/80/94/277158094.db2.gz RFBWBJDIRAGWAA-SJLPKXTDSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000269135547 277158095 /nfs/dbraw/zinc/15/80/95/277158095.db2.gz RFBWBJDIRAGWAA-SJLPKXTDSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000269135547 277158096 /nfs/dbraw/zinc/15/80/96/277158096.db2.gz RFBWBJDIRAGWAA-SJLPKXTDSA-N 2 1 295.430 3.151 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC3CCCCCC3)C2)C1 ZINC000430163093 277160463 /nfs/dbraw/zinc/16/04/63/277160463.db2.gz KKZUJYLHYMSWEV-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC000430163093 277160464 /nfs/dbraw/zinc/16/04/64/277160464.db2.gz KKZUJYLHYMSWEV-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC000430163093 277160466 /nfs/dbraw/zinc/16/04/66/277160466.db2.gz KKZUJYLHYMSWEV-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414664331 277280061 /nfs/dbraw/zinc/28/00/61/277280061.db2.gz CDYISNJMAIAQMQ-RYQLBKOJSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164030 277359750 /nfs/dbraw/zinc/35/97/50/277359750.db2.gz SOZMVTFZBOTXFA-WZYMTQMTSA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164030 277359751 /nfs/dbraw/zinc/35/97/51/277359751.db2.gz SOZMVTFZBOTXFA-WZYMTQMTSA-N 2 1 252.446 3.416 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339183250 287956936 /nfs/dbraw/zinc/95/69/36/287956936.db2.gz DCZVZJWGOAIWBG-UHFFFAOYSA-N 2 1 277.799 3.333 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000353627222 277394702 /nfs/dbraw/zinc/39/47/02/277394702.db2.gz ZSRZSPAADZZSEM-OAGGEKHMSA-N 2 1 270.436 3.225 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000353627222 277394703 /nfs/dbraw/zinc/39/47/03/277394703.db2.gz ZSRZSPAADZZSEM-OAGGEKHMSA-N 2 1 270.436 3.225 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CS1 ZINC000488369693 277963655 /nfs/dbraw/zinc/96/36/55/277963655.db2.gz PNBZPAPBTMHGBA-HUUCEWRRSA-N 2 1 284.513 3.371 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000359093411 277965559 /nfs/dbraw/zinc/96/55/59/277965559.db2.gz TXBAZFJCYXOFOJ-BRWVUGGUSA-N 2 1 282.472 3.044 20 0 CGADMP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000261956206 278022297 /nfs/dbraw/zinc/02/22/97/278022297.db2.gz OREVXZBVDIAKOT-KBXCAEBGSA-N 2 1 288.435 3.078 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000484284998 278026759 /nfs/dbraw/zinc/02/67/59/278026759.db2.gz AQNXKRBADIGUJX-ZOBORPQBSA-N 2 1 292.389 3.427 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395119498 288006002 /nfs/dbraw/zinc/00/60/02/288006002.db2.gz STLDLNQMJMMSSY-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CSC1(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000348094798 278125301 /nfs/dbraw/zinc/12/53/01/278125301.db2.gz HLXBFXVDWZSOLZ-OAHLLOKOSA-N 2 1 292.492 3.382 20 0 CGADMP CC1(C)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090714594 278201298 /nfs/dbraw/zinc/20/12/98/278201298.db2.gz VWHUUTYKRHFOGL-LSDHHAIUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000397321363 288022977 /nfs/dbraw/zinc/02/29/77/288022977.db2.gz STGSIWSUUHNWRD-VWYCJHECSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000397321363 288022978 /nfs/dbraw/zinc/02/29/78/288022978.db2.gz STGSIWSUUHNWRD-VWYCJHECSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000360004983 278226260 /nfs/dbraw/zinc/22/62/60/278226260.db2.gz DWKKRWIPUGBAQG-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000397487659 288024254 /nfs/dbraw/zinc/02/42/54/288024254.db2.gz WSPJFGSOKGMMBF-SCVCMEIPSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000397487659 288024257 /nfs/dbraw/zinc/02/42/57/288024257.db2.gz WSPJFGSOKGMMBF-SCVCMEIPSA-N 2 1 272.845 3.207 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC1(C)C ZINC000397772448 288030141 /nfs/dbraw/zinc/03/01/41/288030141.db2.gz HNOITYNBGZIMRN-YJNKXOJESA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC1(C)C ZINC000397772448 288030143 /nfs/dbraw/zinc/03/01/43/288030143.db2.gz HNOITYNBGZIMRN-YJNKXOJESA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000472598929 278298080 /nfs/dbraw/zinc/29/80/80/278298080.db2.gz MSFSGMUDWARNJD-KRWDZBQOSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H]([NH2+]CC1CCC(C)(C)CC1)c1c[nH+]ccc1N ZINC000423008771 278341682 /nfs/dbraw/zinc/34/16/82/278341682.db2.gz AXUCXDOARVKFCE-GFCCVEGCSA-N 2 1 261.413 3.361 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CCCC[C@@H]1C ZINC000449284450 278344651 /nfs/dbraw/zinc/34/46/51/278344651.db2.gz PEVXVAPOWLTTFK-BSDSXHPESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CCCC[C@@H]1C ZINC000449284450 278344652 /nfs/dbraw/zinc/34/46/52/278344652.db2.gz PEVXVAPOWLTTFK-BSDSXHPESA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccncc1 ZINC000358719119 288035202 /nfs/dbraw/zinc/03/52/02/288035202.db2.gz IZIBJZHXIFFJCQ-INIZCTEOSA-N 2 1 275.440 3.385 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(F)cc1Cl ZINC000422749808 278363507 /nfs/dbraw/zinc/36/35/07/278363507.db2.gz BAGVFLBEUHWXEC-LPEHRKFASA-N 2 1 258.768 3.256 20 0 CGADMP C[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1C[NH3+] ZINC000163969953 278370629 /nfs/dbraw/zinc/37/06/29/278370629.db2.gz UPQZMBFRJLSSFS-RYUDHWBXSA-N 2 1 289.810 3.309 20 0 CGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355726 288062117 /nfs/dbraw/zinc/06/21/17/288062117.db2.gz JNYFPNYLIKKACJ-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C2CC2)c1 ZINC000421355726 288062119 /nfs/dbraw/zinc/06/21/19/288062119.db2.gz JNYFPNYLIKKACJ-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C2CC2)c1 ZINC000421355726 288062121 /nfs/dbraw/zinc/06/21/21/288062121.db2.gz JNYFPNYLIKKACJ-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355726 288062123 /nfs/dbraw/zinc/06/21/23/288062123.db2.gz JNYFPNYLIKKACJ-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355726 288062124 /nfs/dbraw/zinc/06/21/24/288062124.db2.gz JNYFPNYLIKKACJ-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459383569 288086368 /nfs/dbraw/zinc/08/63/68/288086368.db2.gz GFFUOOPKJJCEHT-UHFFFAOYSA-N 2 1 274.452 3.427 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119738436 279013551 /nfs/dbraw/zinc/01/35/51/279013551.db2.gz ZQIYLFMUIWGBGM-KZULUSFZSA-N 2 1 288.410 3.275 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119672379 279021583 /nfs/dbraw/zinc/02/15/83/279021583.db2.gz QVDJHMITMXMPAR-FZKQIMNGSA-N 2 1 270.420 3.136 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1C ZINC000444660667 279212113 /nfs/dbraw/zinc/21/21/13/279212113.db2.gz KEHLEIHEYSBAIT-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000444660667 279212115 /nfs/dbraw/zinc/21/21/15/279212115.db2.gz KEHLEIHEYSBAIT-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000444660667 279212117 /nfs/dbraw/zinc/21/21/17/279212117.db2.gz KEHLEIHEYSBAIT-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000423333389 279297965 /nfs/dbraw/zinc/29/79/65/279297965.db2.gz RPEWZBIPMNIIET-QMTHXVAHSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414851080 279347288 /nfs/dbraw/zinc/34/72/88/279347288.db2.gz SYOPVGDIMZFTCF-RISCZKNCSA-N 2 1 286.341 3.151 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000353578816 279371621 /nfs/dbraw/zinc/37/16/21/279371621.db2.gz SQZACKYUDNSBRH-PNESKVBLSA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000353578816 279371623 /nfs/dbraw/zinc/37/16/23/279371623.db2.gz SQZACKYUDNSBRH-PNESKVBLSA-N 2 1 280.378 3.426 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCC23CCC3)C[C@H](C)O1 ZINC000449103910 288161613 /nfs/dbraw/zinc/16/16/13/288161613.db2.gz SNHSLYNMYGSFTD-BBWFWOEESA-N 2 1 294.483 3.188 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000527325348 288166404 /nfs/dbraw/zinc/16/64/04/288166404.db2.gz XXEDOHMBGNMJHY-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000527325348 288166409 /nfs/dbraw/zinc/16/64/09/288166409.db2.gz XXEDOHMBGNMJHY-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000527325348 288166414 /nfs/dbraw/zinc/16/64/14/288166414.db2.gz XXEDOHMBGNMJHY-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453393717 280035780 /nfs/dbraw/zinc/03/57/80/280035780.db2.gz FYXUXXACZDTBQJ-KSSFIOAISA-N 2 1 272.436 3.384 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179426168 280126159 /nfs/dbraw/zinc/12/61/59/280126159.db2.gz LKLYYSNWFMRIOG-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000179426168 280126160 /nfs/dbraw/zinc/12/61/60/280126160.db2.gz LKLYYSNWFMRIOG-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000179426168 280126162 /nfs/dbraw/zinc/12/61/62/280126162.db2.gz LKLYYSNWFMRIOG-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)c2ccccc2[nH+]1 ZINC000374348414 280570075 /nfs/dbraw/zinc/57/00/75/280570075.db2.gz FZGSWWDABQUWND-CQSZACIVSA-N 2 1 292.386 3.271 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CC(C)(C)[NH3+])C2CCCC2)o1 ZINC000423288821 280949041 /nfs/dbraw/zinc/94/90/41/280949041.db2.gz VGFNWCZUDYAKDW-AWEZNQCLSA-N 2 1 250.386 3.146 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070464 281059624 /nfs/dbraw/zinc/05/96/24/281059624.db2.gz YLMBBPOTQCBGGM-BQFCYCMXSA-N 2 1 270.420 3.199 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453407448 281065244 /nfs/dbraw/zinc/06/52/44/281065244.db2.gz RURSMTNPQMZIHL-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)OCC ZINC000530210967 288300459 /nfs/dbraw/zinc/30/04/59/288300459.db2.gz KRQZDEOJXNSBKH-RCCFBDPRSA-N 2 1 290.451 3.275 20 0 CGADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccsc1 ZINC000530407354 288305266 /nfs/dbraw/zinc/30/52/66/288305266.db2.gz RDOUPLXBFOFNIN-CQSZACIVSA-N 2 1 263.410 3.155 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000531700859 288340778 /nfs/dbraw/zinc/34/07/78/288340778.db2.gz HNTYBJXFFPFIBB-CQSZACIVSA-N 2 1 287.407 3.249 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000531702537 288341142 /nfs/dbraw/zinc/34/11/42/288341142.db2.gz IMKPBRKSCORRGQ-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000532192911 288354174 /nfs/dbraw/zinc/35/41/74/288354174.db2.gz FAPNRCFVKPCDPS-QZTJIDSGSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000532197699 288354931 /nfs/dbraw/zinc/35/49/31/288354931.db2.gz YLADPLJKIVOSCA-SFHVURJKSA-N 2 1 274.452 3.459 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C(C)C ZINC000532197699 288354935 /nfs/dbraw/zinc/35/49/35/288354935.db2.gz YLADPLJKIVOSCA-SFHVURJKSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459616 288362407 /nfs/dbraw/zinc/36/24/07/288362407.db2.gz PXIXUGFKIPGRJF-XHSDSOJGSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCCCCC1 ZINC000542477414 288754116 /nfs/dbraw/zinc/75/41/16/288754116.db2.gz ILRRZMCWWRPOQU-CZUORRHYSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000549041721 289033757 /nfs/dbraw/zinc/03/37/57/289033757.db2.gz SCPORKNCIXRTME-UAGQMJEPSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCCC23CCCC3)CCOCC1 ZINC000340242904 289059786 /nfs/dbraw/zinc/05/97/86/289059786.db2.gz IEUIWCKDPHYYAL-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC=C(C)CC1 ZINC000550890021 289089007 /nfs/dbraw/zinc/08/90/07/289089007.db2.gz CCVLKSYWBVXJHF-JKSUJKDBSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC=C(C)CC1 ZINC000550890021 289089008 /nfs/dbraw/zinc/08/90/08/289089008.db2.gz CCVLKSYWBVXJHF-JKSUJKDBSA-N 2 1 250.430 3.339 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554348734 289272860 /nfs/dbraw/zinc/27/28/60/289272860.db2.gz FPPHJYKPEXANIB-PMACEKPBSA-N 2 1 298.474 3.472 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000554349826 289273560 /nfs/dbraw/zinc/27/35/60/289273560.db2.gz PYCMGRDPXKCUBG-HKUYNNGSSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376195 289278681 /nfs/dbraw/zinc/27/86/81/289278681.db2.gz IVGCDTFPXBVXHM-OJLVUWQFSA-N 2 1 294.389 3.140 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000554727496 289305680 /nfs/dbraw/zinc/30/56/80/289305680.db2.gz IGNSMXCIMLPDCK-YLFCFFPRSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000554820549 289311297 /nfs/dbraw/zinc/31/12/97/289311297.db2.gz OOXGFTFDCPKDKH-MRXNPFEDSA-N 2 1 278.415 3.347 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000554820549 289311298 /nfs/dbraw/zinc/31/12/98/289311298.db2.gz OOXGFTFDCPKDKH-MRXNPFEDSA-N 2 1 278.415 3.347 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556210420 289377634 /nfs/dbraw/zinc/37/76/34/289377634.db2.gz RKMMBBQIKCEAKL-JLSDUUJJSA-N 2 1 272.436 3.110 20 0 CGADMP CC1=CC[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000556235732 289379459 /nfs/dbraw/zinc/37/94/59/289379459.db2.gz GIQIDDHYICIUOE-PMPSAXMXSA-N 2 1 250.430 3.195 20 0 CGADMP CC1=CC[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000556235732 289379461 /nfs/dbraw/zinc/37/94/61/289379461.db2.gz GIQIDDHYICIUOE-PMPSAXMXSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000093977920 290019494 /nfs/dbraw/zinc/01/94/94/290019494.db2.gz SLXCHFGPCNHDJT-NUEKZKHPSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccs1 ZINC000423259018 290035548 /nfs/dbraw/zinc/03/55/48/290035548.db2.gz CYDJPKPYHCTHCF-WCQYABFASA-N 2 1 252.427 3.306 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474510 290216825 /nfs/dbraw/zinc/21/68/25/290216825.db2.gz SBMUFNFOBZUJFX-YHYOWMERSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474510 290216831 /nfs/dbraw/zinc/21/68/31/290216831.db2.gz SBMUFNFOBZUJFX-YHYOWMERSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCSC3(CCCCC3)C2)CC[NH2+]1 ZINC000414699296 297252856 /nfs/dbraw/zinc/25/28/56/297252856.db2.gz FBKRGROYUVMCGS-CABCVRRESA-N 2 1 282.497 3.126 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)CC[N@@H+]1C ZINC000348039925 297286432 /nfs/dbraw/zinc/28/64/32/297286432.db2.gz GDBUPWIPKGRBSL-JKIFEVAISA-N 2 1 273.424 3.006 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)CC[N@H+]1C ZINC000348039925 297286435 /nfs/dbraw/zinc/28/64/35/297286435.db2.gz GDBUPWIPKGRBSL-JKIFEVAISA-N 2 1 273.424 3.006 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262010844 297293762 /nfs/dbraw/zinc/29/37/62/297293762.db2.gz MFZXANZEMCFNSY-XOKHGSTOSA-N 2 1 276.399 3.208 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1csc(C)c1 ZINC000449326577 528070650 /nfs/dbraw/zinc/07/06/50/528070650.db2.gz XJBAWRDOOIMQQQ-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1csc(C)c1 ZINC000449326577 528070653 /nfs/dbraw/zinc/07/06/53/528070653.db2.gz XJBAWRDOOIMQQQ-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP Cc1ccccc1CC(C)(C)[NH2+]CC[NH2+]C(C)(C)C ZINC000414698396 302095396 /nfs/dbraw/zinc/09/53/96/302095396.db2.gz DFKUGMITKWFQLZ-UHFFFAOYSA-N 2 1 262.441 3.294 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422710344 302136700 /nfs/dbraw/zinc/13/67/00/302136700.db2.gz LSTVYPDDXNESIA-COXVUDFISA-N 2 1 258.409 3.176 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000347006387 302168450 /nfs/dbraw/zinc/16/84/50/302168450.db2.gz QAOMOXUZOPUMKE-YESZJQIVSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000394668265 329126603 /nfs/dbraw/zinc/12/66/03/329126603.db2.gz VRDHSXZJPXLAOS-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000388756635 328300410 /nfs/dbraw/zinc/30/04/10/328300410.db2.gz RXJVZUYIFLFTRN-KBXIAJHMSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000563135042 321979485 /nfs/dbraw/zinc/97/94/85/321979485.db2.gz CBKPRDQALSEBCX-RQJHMYQMSA-N 2 1 267.225 3.270 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000563872891 322013623 /nfs/dbraw/zinc/01/36/23/322013623.db2.gz QJFLHDOVEZALNP-LBPRGKRZSA-N 2 1 281.469 3.136 20 0 CGADMP Cc1cccc(C)c1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000564341249 322028115 /nfs/dbraw/zinc/02/81/15/322028115.db2.gz AGNUQDRCYYAGSX-OAHLLOKOSA-N 2 1 271.408 3.320 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[N@@H+](C)C1 ZINC000564796887 322043487 /nfs/dbraw/zinc/04/34/87/322043487.db2.gz YHTHKHUEAFRJGY-AWEZNQCLSA-N 2 1 269.392 3.297 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[N@H+](C)C1 ZINC000564796887 322043488 /nfs/dbraw/zinc/04/34/88/322043488.db2.gz YHTHKHUEAFRJGY-AWEZNQCLSA-N 2 1 269.392 3.297 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000564973568 322052201 /nfs/dbraw/zinc/05/22/01/322052201.db2.gz LSDAUTQGUVAPMG-ZWKOTPCHSA-N 2 1 292.442 3.324 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+]CCC[NH+]1CCC1 ZINC000565214513 322066512 /nfs/dbraw/zinc/06/65/12/322066512.db2.gz HBHDTLHJPHRGMX-UHFFFAOYSA-N 2 1 266.816 3.142 20 0 CGADMP Cc1[nH+]cc(CNc2cccc(C[NH+]3CCCCC3)c2)n1C ZINC000565239685 322069157 /nfs/dbraw/zinc/06/91/57/322069157.db2.gz YSWITZGEUJGZEH-UHFFFAOYSA-N 2 1 298.434 3.327 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[NH2+]1 ZINC000565821615 322092896 /nfs/dbraw/zinc/09/28/96/322092896.db2.gz PROUAQMILRHGDD-GXTWGEPZSA-N 2 1 293.480 3.421 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000566416769 322121672 /nfs/dbraw/zinc/12/16/72/322121672.db2.gz OKGZWKHWYXPBSI-ZDUSSCGKSA-N 2 1 289.448 3.425 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CC[C@@H]2C2CC2)([NH+](C)C)C1 ZINC000567261402 322156583 /nfs/dbraw/zinc/15/65/83/322156583.db2.gz JMQBKPHUYWOLBV-SIXLDLHFSA-N 2 1 264.457 3.275 20 0 CGADMP CCc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000567618763 322170912 /nfs/dbraw/zinc/17/09/12/322170912.db2.gz XDLFWLLTUDVFJM-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000568162260 322195352 /nfs/dbraw/zinc/19/53/52/322195352.db2.gz SSWKWEBUWAOPLC-WCQYABFASA-N 2 1 289.810 3.200 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000568162260 322195355 /nfs/dbraw/zinc/19/53/55/322195355.db2.gz SSWKWEBUWAOPLC-WCQYABFASA-N 2 1 289.810 3.200 20 0 CGADMP CC(C)C(C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000569741863 322255912 /nfs/dbraw/zinc/25/59/12/322255912.db2.gz CCCMIFPWANJJKG-ZBFHGGJFSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000568569646 322214118 /nfs/dbraw/zinc/21/41/18/322214118.db2.gz FFMNYRAPELIDQS-LSDHHAIUSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000568569646 322214116 /nfs/dbraw/zinc/21/41/16/322214116.db2.gz FFMNYRAPELIDQS-LSDHHAIUSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000568768402 322222405 /nfs/dbraw/zinc/22/24/05/322222405.db2.gz RHJJMEOOCGBLMJ-IRXDYDNUSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccc(Cl)cc1 ZINC000569136316 322236587 /nfs/dbraw/zinc/23/65/87/322236587.db2.gz CFJFAUOVXHVFIQ-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP CC1CCC(O)(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000569212852 322239357 /nfs/dbraw/zinc/23/93/57/322239357.db2.gz VVZSIKNAGNLWCI-LXPRWKDFSA-N 2 1 296.499 3.172 20 0 CGADMP CC(C)C(C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000569741863 322255911 /nfs/dbraw/zinc/25/59/11/322255911.db2.gz CCCMIFPWANJJKG-ZBFHGGJFSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)C(C)C ZINC000569741863 322255908 /nfs/dbraw/zinc/25/59/08/322255908.db2.gz CCCMIFPWANJJKG-ZBFHGGJFSA-N 2 1 254.462 3.187 20 0 CGADMP CC(C)C(C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)C(C)C ZINC000569741863 322255909 /nfs/dbraw/zinc/25/59/09/322255909.db2.gz CCCMIFPWANJJKG-ZBFHGGJFSA-N 2 1 254.462 3.187 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C[NH3+])CC(C)C ZINC000570035580 322263403 /nfs/dbraw/zinc/26/34/03/322263403.db2.gz KUUKDZOFSNPXNF-CJNGLKHVSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000570199965 322267565 /nfs/dbraw/zinc/26/75/65/322267565.db2.gz KPGBPDDQVVLMJK-YYESSZKYSA-N 2 1 288.435 3.413 20 0 CGADMP Cc1cccc(C(C)(C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000570407469 322272778 /nfs/dbraw/zinc/27/27/78/322272778.db2.gz CGIFMTKPCFQLEX-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP Cc1ccc2cc[nH+]c(NCC3=CC[N@H+](C)CC3)c2c1 ZINC000570712755 322280569 /nfs/dbraw/zinc/28/05/69/322280569.db2.gz RMUWYGXHMNNRGT-UHFFFAOYSA-N 2 1 267.376 3.217 20 0 CGADMP Cc1ccc2cc[nH+]c(NCC3=CC[N@@H+](C)CC3)c2c1 ZINC000570712755 322280571 /nfs/dbraw/zinc/28/05/71/322280571.db2.gz RMUWYGXHMNNRGT-UHFFFAOYSA-N 2 1 267.376 3.217 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C[C@@H]1C ZINC000571350818 322296420 /nfs/dbraw/zinc/29/64/20/322296420.db2.gz PMWOUVDOJWOEPP-VCCANDMLSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCCC2(C)C)CCCO1 ZINC000571382386 322297254 /nfs/dbraw/zinc/29/72/54/322297254.db2.gz ZMURZKABUWTDMU-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCCC2(C)C)CCCO1 ZINC000571382386 322297256 /nfs/dbraw/zinc/29/72/56/322297256.db2.gz ZMURZKABUWTDMU-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CC1=CC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000571423931 322298388 /nfs/dbraw/zinc/29/83/88/322298388.db2.gz OWYCLLNSUSPRAO-OAHLLOKOSA-N 2 1 250.430 3.339 20 0 CGADMP CC1=CC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000571423930 322298407 /nfs/dbraw/zinc/29/84/07/322298407.db2.gz OWYCLLNSUSPRAO-HNNXBMFYSA-N 2 1 250.430 3.339 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)c2c1 ZINC000571457773 322299152 /nfs/dbraw/zinc/29/91/52/322299152.db2.gz NLMWJICJZRHWGK-KBPBESRZSA-N 2 1 281.403 3.002 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000583149543 329322899 /nfs/dbraw/zinc/32/28/99/329322899.db2.gz ULXYCWVZAUDQIP-KGLIPLIRSA-N 2 1 266.404 3.248 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000583149543 329322901 /nfs/dbraw/zinc/32/29/01/329322901.db2.gz ULXYCWVZAUDQIP-KGLIPLIRSA-N 2 1 266.404 3.248 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000584219565 327066110 /nfs/dbraw/zinc/06/61/10/327066110.db2.gz FPJWASBJCKTPCR-QGZVFWFLSA-N 2 1 276.424 3.083 20 0 CGADMP COc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000423270876 533713285 /nfs/dbraw/zinc/71/32/85/533713285.db2.gz XDXVJWLDYKXHCG-CXAGYDPISA-N 2 1 276.424 3.253 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000174629774 335161067 /nfs/dbraw/zinc/16/10/67/335161067.db2.gz CZTQLOLAELTVPC-WBVHZDCISA-N 2 1 260.425 3.123 20 0 CGADMP CC(C)COc1ccccc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000576343265 335191959 /nfs/dbraw/zinc/19/19/59/335191959.db2.gz JLZXCCRQLUOIAL-INIZCTEOSA-N 2 1 290.451 3.153 20 0 CGADMP CC(C)COc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000576343265 335191961 /nfs/dbraw/zinc/19/19/61/335191961.db2.gz JLZXCCRQLUOIAL-INIZCTEOSA-N 2 1 290.451 3.153 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000576605820 335225684 /nfs/dbraw/zinc/22/56/84/335225684.db2.gz WUQZITLTFNEPQN-WMZOPIPTSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000576605820 335225686 /nfs/dbraw/zinc/22/56/86/335225686.db2.gz WUQZITLTFNEPQN-WMZOPIPTSA-N 2 1 274.452 3.472 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000577144118 335308070 /nfs/dbraw/zinc/30/80/70/335308070.db2.gz BHOFPWOIWZLDIJ-ZDUSSCGKSA-N 2 1 298.833 3.343 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000577561822 335368557 /nfs/dbraw/zinc/36/85/57/335368557.db2.gz FEBKLVKUHHTISF-HOTGVXAUSA-N 2 1 292.467 3.423 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000577561822 335368558 /nfs/dbraw/zinc/36/85/58/335368558.db2.gz FEBKLVKUHHTISF-HOTGVXAUSA-N 2 1 292.467 3.423 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000581191143 336021911 /nfs/dbraw/zinc/02/19/11/336021911.db2.gz MLRPKSBGDUOAMV-FUHWJXTLSA-N 2 1 292.442 3.324 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381472541 336066052 /nfs/dbraw/zinc/06/60/52/336066052.db2.gz LQDCTWQVVRWOEO-ZDUSSCGKSA-N 2 1 254.443 3.439 20 0 CGADMP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000381918227 336077275 /nfs/dbraw/zinc/07/72/75/336077275.db2.gz ULSHOLAREHJRNA-BETUJISGSA-N 2 1 299.245 3.425 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000382168331 336083602 /nfs/dbraw/zinc/08/36/02/336083602.db2.gz VTNQRWGYVIDMTH-XBFCOCLRSA-N 2 1 252.427 3.272 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000385438170 336146376 /nfs/dbraw/zinc/14/63/76/336146376.db2.gz RDIDKGXJLZQDCA-KBMXLJTQSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000385438170 336146377 /nfs/dbraw/zinc/14/63/77/336146377.db2.gz RDIDKGXJLZQDCA-KBMXLJTQSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000386515694 336175983 /nfs/dbraw/zinc/17/59/83/336175983.db2.gz MWDGAZYIOXLMDP-HZSPNIEDSA-N 2 1 254.462 3.377 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccs1 ZINC000049540911 521155211 /nfs/dbraw/zinc/15/52/11/521155211.db2.gz MLCCDSWBNHKYHV-ZDUSSCGKSA-N 2 1 252.427 3.273 20 0 CGADMP Cc1ccc(CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000368610356 533787510 /nfs/dbraw/zinc/78/75/10/533787510.db2.gz FINDUDJRIHSHLR-UHFFFAOYSA-N 2 1 272.436 3.098 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480678525 533825368 /nfs/dbraw/zinc/82/53/68/533825368.db2.gz UGAHKQWSCRCVFI-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000086670211 533895171 /nfs/dbraw/zinc/89/51/71/533895171.db2.gz XXCPQKQKZVNNPV-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427896029 533900218 /nfs/dbraw/zinc/90/02/18/533900218.db2.gz UYJQBKMJGFYOTG-MAUKXSAKSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@H](CC[NH2+]Cc1cc2cccnc2o1)[NH+]1CCCCC1 ZINC000449239116 533940281 /nfs/dbraw/zinc/94/02/81/533940281.db2.gz ICIJWKQEYYCLHL-CQSZACIVSA-N 2 1 287.407 3.182 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288051 534158624 /nfs/dbraw/zinc/15/86/24/534158624.db2.gz JVUOAWRWIIOGHB-CQSZACIVSA-N 2 1 276.399 3.098 20 0 CGADMP FCCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000367451276 534427762 /nfs/dbraw/zinc/42/77/62/534427762.db2.gz QJDAGPQZKKIIIF-OAHLLOKOSA-N 2 1 256.409 3.077 20 0 CGADMP F[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411770526 534435127 /nfs/dbraw/zinc/43/51/27/534435127.db2.gz CWSCGQKHYHUKJG-QGZVFWFLSA-N 2 1 276.399 3.216 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000161155550 519817736 /nfs/dbraw/zinc/81/77/36/519817736.db2.gz IKFDYJBEUILFLI-CQSZACIVSA-N 2 1 272.795 3.284 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000161155550 519817737 /nfs/dbraw/zinc/81/77/37/519817737.db2.gz IKFDYJBEUILFLI-CQSZACIVSA-N 2 1 272.795 3.284 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccccc2OC)C1 ZINC000151134969 519863798 /nfs/dbraw/zinc/86/37/98/519863798.db2.gz NJNBUCJNKRKXGR-WBVHZDCISA-N 2 1 290.451 3.468 20 0 CGADMP CCCO[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000161741332 520270776 /nfs/dbraw/zinc/27/07/76/520270776.db2.gz ODBREWHPLPNJRX-QGZVFWFLSA-N 2 1 293.455 3.253 20 0 CGADMP CCCO[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000161741332 520270788 /nfs/dbraw/zinc/27/07/88/520270788.db2.gz ODBREWHPLPNJRX-QGZVFWFLSA-N 2 1 293.455 3.253 20 0 CGADMP Cc1nc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cs1 ZINC000423293925 534600389 /nfs/dbraw/zinc/60/03/89/534600389.db2.gz SNPBWHHUJYOWHR-QWRGUYRKSA-N 2 1 275.421 3.322 20 0 CGADMP C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC[NH2+]CC1 ZINC000094010954 523360746 /nfs/dbraw/zinc/36/07/46/523360746.db2.gz QTQFRBBDYWXRLR-UHFFFAOYSA-N 2 1 286.341 3.137 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000156587138 524047411 /nfs/dbraw/zinc/04/74/11/524047411.db2.gz CQFROLIRZRFFTA-AGIUHOORSA-N 2 1 266.454 3.444 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000156587138 524047412 /nfs/dbraw/zinc/04/74/12/524047412.db2.gz CQFROLIRZRFFTA-AGIUHOORSA-N 2 1 266.454 3.444 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC000088163722 524573461 /nfs/dbraw/zinc/57/34/61/524573461.db2.gz ZBRMTIFWSDEVPZ-MQVJKMGUSA-N 2 1 276.399 3.239 20 0 CGADMP Cc1cccc(NCCCC[N@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000157107123 524673000 /nfs/dbraw/zinc/67/30/00/524673000.db2.gz FQVUQOWUXXQQSQ-AWEZNQCLSA-N 2 1 261.413 3.314 20 0 CGADMP Cc1cccc(NCCCC[N@@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000157107123 524673008 /nfs/dbraw/zinc/67/30/08/524673008.db2.gz FQVUQOWUXXQQSQ-AWEZNQCLSA-N 2 1 261.413 3.314 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CC[N@H+]1C ZINC000157700892 524809612 /nfs/dbraw/zinc/80/96/12/524809612.db2.gz XIXLARCEVULNDE-GUYCJALGSA-N 2 1 258.409 3.136 20 0 CGADMP C(CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156023357 527476517 /nfs/dbraw/zinc/47/65/17/527476517.db2.gz STLJZSAHQXBKAO-JKSUJKDBSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415049422 527706264 /nfs/dbraw/zinc/70/62/64/527706264.db2.gz HEMCSKXJZFHIFX-AOCRQIFASA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423316695 527782657 /nfs/dbraw/zinc/78/26/57/527782657.db2.gz JYUGLBZPPWYOGX-KSSFIOAISA-N 2 1 290.451 3.499 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000175722728 527832450 /nfs/dbraw/zinc/83/24/50/527832450.db2.gz NXUJIHZEFBQBNK-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000175722728 527832453 /nfs/dbraw/zinc/83/24/53/527832453.db2.gz NXUJIHZEFBQBNK-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000175722728 527832456 /nfs/dbraw/zinc/83/24/56/527832456.db2.gz NXUJIHZEFBQBNK-NUJGCVRESA-N 2 1 274.452 3.452 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC000449028975 527834281 /nfs/dbraw/zinc/83/42/81/527834281.db2.gz NPPVZXDYKJYYHS-CJNGLKHVSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC000449028975 527834285 /nfs/dbraw/zinc/83/42/85/527834285.db2.gz NPPVZXDYKJYYHS-CJNGLKHVSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC000449028975 527834290 /nfs/dbraw/zinc/83/42/90/527834290.db2.gz NPPVZXDYKJYYHS-CJNGLKHVSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC000449028975 527834294 /nfs/dbraw/zinc/83/42/94/527834294.db2.gz NPPVZXDYKJYYHS-CJNGLKHVSA-N 2 1 294.414 3.139 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccoc1 ZINC000423385633 527849578 /nfs/dbraw/zinc/84/95/78/527849578.db2.gz GUJSJLOATIVAHX-BMFZPTHFSA-N 2 1 264.413 3.345 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000358039998 527882207 /nfs/dbraw/zinc/88/22/07/527882207.db2.gz AWSZGDISKSCICJ-YOEHRIQHSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000358039998 527882210 /nfs/dbraw/zinc/88/22/10/527882210.db2.gz AWSZGDISKSCICJ-YOEHRIQHSA-N 2 1 283.419 3.055 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc2cccnc2o1 ZINC000449323673 528104197 /nfs/dbraw/zinc/10/41/97/528104197.db2.gz AJUKGFIZYTZBJL-UHFFFAOYSA-N 2 1 289.423 3.382 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc2cccnc2o1 ZINC000449323673 528104200 /nfs/dbraw/zinc/10/42/00/528104200.db2.gz AJUKGFIZYTZBJL-UHFFFAOYSA-N 2 1 289.423 3.382 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423279305 528163367 /nfs/dbraw/zinc/16/33/67/528163367.db2.gz RFDFJWSZUZPRNW-DYVFJYSZSA-N 2 1 276.424 3.109 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415136010 528169706 /nfs/dbraw/zinc/16/97/06/528169706.db2.gz WXQLHVMPAVQPRV-WBVHZDCISA-N 2 1 290.451 3.138 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423263975 528310207 /nfs/dbraw/zinc/31/02/07/528310207.db2.gz PGHGLIGKYKNLOK-YPMHNXCESA-N 2 1 286.366 3.312 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423259371 528310905 /nfs/dbraw/zinc/31/09/05/528310905.db2.gz DPDNKKDVSYVPCA-HOCLYGCPSA-N 2 1 278.440 3.498 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423262983 528532301 /nfs/dbraw/zinc/53/23/01/528532301.db2.gz ADGKJWXCBCPUSK-AAEUAGOBSA-N 2 1 266.454 3.261 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423278628 528533408 /nfs/dbraw/zinc/53/34/08/528533408.db2.gz RAZVNLFGBRSLTI-RNCFNFMXSA-N 2 1 258.768 3.113 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000357885686 528576790 /nfs/dbraw/zinc/57/67/90/528576790.db2.gz VWIJYXUCGCOKRL-HNNXBMFYSA-N 2 1 292.471 3.237 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367590722 528657109 /nfs/dbraw/zinc/65/71/09/528657109.db2.gz VTBYDAMALSHEMT-KZNAEPCWSA-N 2 1 288.435 3.048 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000423075240 528689393 /nfs/dbraw/zinc/68/93/93/528689393.db2.gz WJYPZWUKEAWBIU-CQSZACIVSA-N 2 1 299.418 3.442 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423263596 528720345 /nfs/dbraw/zinc/72/03/45/528720345.db2.gz BDMHMVWKZXVEAY-CJNGLKHVSA-N 2 1 264.413 3.109 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000423295013 528819616 /nfs/dbraw/zinc/81/96/16/528819616.db2.gz DFBLABKYMAIYGU-KBPBESRZSA-N 2 1 294.439 3.180 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423298199 528821379 /nfs/dbraw/zinc/82/13/79/528821379.db2.gz NOKISAZKRJXMOY-ZFWWWQNUSA-N 2 1 292.423 3.016 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000423302918 528821662 /nfs/dbraw/zinc/82/16/62/528821662.db2.gz WKCQAEIOJKQOJU-IRXDYDNUSA-N 2 1 262.441 3.361 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423287664 528949160 /nfs/dbraw/zinc/94/91/60/528949160.db2.gz NTKSBOJMDXOJLO-JTQLQIEISA-N 2 1 256.340 3.133 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423302511 528954266 /nfs/dbraw/zinc/95/42/66/528954266.db2.gz VPOJTANLMVJOSR-QWHCGFSZSA-N 2 1 284.394 3.393 20 0 CGADMP CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423505762 529028755 /nfs/dbraw/zinc/02/87/55/529028755.db2.gz GQBFIODPYOZKRG-YJBOKZPZSA-N 2 1 290.451 3.058 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423262985 529069023 /nfs/dbraw/zinc/06/90/23/529069023.db2.gz ADGKJWXCBCPUSK-WCQYABFASA-N 2 1 266.454 3.261 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000449109322 529085670 /nfs/dbraw/zinc/08/56/70/529085670.db2.gz XXRCZXFKSWFYTD-HWOWSKLDSA-N 2 1 284.513 3.230 20 0 CGADMP CC(C)[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423323042 529126193 /nfs/dbraw/zinc/12/61/93/529126193.db2.gz JHJVQRMEOASJCZ-MFKMUULPSA-N 2 1 274.330 3.339 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cc1F ZINC000425951311 529177629 /nfs/dbraw/zinc/17/76/29/529177629.db2.gz MLTBYAGJWKJTDP-XHDPSFHLSA-N 2 1 270.367 3.203 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423279486 529246740 /nfs/dbraw/zinc/24/67/40/529246740.db2.gz SAUQLMIHYKJHEG-IUODEOHRSA-N 2 1 266.454 3.433 20 0 CGADMP CC[C@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000412980103 529332685 /nfs/dbraw/zinc/33/26/85/529332685.db2.gz WBPYTYHLXCHQQO-GOSISDBHSA-N 2 1 290.451 3.008 20 0 CGADMP CC[C@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000412980103 529332689 /nfs/dbraw/zinc/33/26/89/529332689.db2.gz WBPYTYHLXCHQQO-GOSISDBHSA-N 2 1 290.451 3.008 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483248577 534955277 /nfs/dbraw/zinc/95/52/77/534955277.db2.gz FZUQWXFQMDQKPC-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)CC)CC1 ZINC000480758840 535215048 /nfs/dbraw/zinc/21/50/48/535215048.db2.gz FNZPRSQZLWFDKC-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000088537007 535493678 /nfs/dbraw/zinc/49/36/78/535493678.db2.gz DDJPYYFJBPQHCD-AEFFLSMTSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@@H](C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000088537007 535493683 /nfs/dbraw/zinc/49/36/83/535493683.db2.gz DDJPYYFJBPQHCD-AEFFLSMTSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000088537007 535493687 /nfs/dbraw/zinc/49/36/87/535493687.db2.gz DDJPYYFJBPQHCD-AEFFLSMTSA-N 2 1 274.452 3.486 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649237 535540024 /nfs/dbraw/zinc/54/00/24/535540024.db2.gz FKGJUSWVZBFYAF-CABCVRRESA-N 2 1 288.435 3.220 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649237 535540028 /nfs/dbraw/zinc/54/00/28/535540028.db2.gz FKGJUSWVZBFYAF-CABCVRRESA-N 2 1 288.435 3.220 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1F ZINC000486980304 535724441 /nfs/dbraw/zinc/72/44/41/535724441.db2.gz ISRAEYPZVMDUOQ-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP C[NH+](C)C1(C[NH2+]CCc2ccc(F)cc2Cl)CCCC1 ZINC000515720586 536114018 /nfs/dbraw/zinc/11/40/18/536114018.db2.gz LOOQZRCFCAFQMK-UHFFFAOYSA-N 2 1 298.833 3.486 20 0 CGADMP COc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)cc1 ZINC000124737506 536857105 /nfs/dbraw/zinc/85/71/05/536857105.db2.gz PAPRQOQLLSWKCX-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP COc1ccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)cc1 ZINC000124737506 536857110 /nfs/dbraw/zinc/85/71/10/536857110.db2.gz PAPRQOQLLSWKCX-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP COc1ccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000124737506 536857117 /nfs/dbraw/zinc/85/71/17/536857117.db2.gz PAPRQOQLLSWKCX-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP COc1ccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000124737506 536857120 /nfs/dbraw/zinc/85/71/20/536857120.db2.gz PAPRQOQLLSWKCX-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP C(=C\C[N@H+]1C[C@@H]2CCC[C@@H]2C1)\C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000255373498 571673146 /nfs/dbraw/zinc/67/31/46/571673146.db2.gz LMKSEZKJCGRMOS-WDMQRBQCSA-N 2 1 274.452 3.006 20 0 CGADMP Cc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000189601880 572352885 /nfs/dbraw/zinc/35/28/85/572352885.db2.gz SDDREWHXLUFASJ-HIFRSBDPSA-N 2 1 288.439 3.158 20 0 CGADMP Cc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000189601880 572352892 /nfs/dbraw/zinc/35/28/92/572352892.db2.gz SDDREWHXLUFASJ-HIFRSBDPSA-N 2 1 288.439 3.158 20 0 CGADMP Cc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000189601880 572352894 /nfs/dbraw/zinc/35/28/94/572352894.db2.gz SDDREWHXLUFASJ-HIFRSBDPSA-N 2 1 288.439 3.158 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccs2)C[C@@H]1C ZINC000740885042 572466202 /nfs/dbraw/zinc/46/62/02/572466202.db2.gz YKDRNPVQXNSJKK-KBPBESRZSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccs2)C[C@@H]1C ZINC000740885042 572466205 /nfs/dbraw/zinc/46/62/05/572466205.db2.gz YKDRNPVQXNSJKK-KBPBESRZSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccs2)C[C@@H]1C ZINC000740885042 572466210 /nfs/dbraw/zinc/46/62/10/572466210.db2.gz YKDRNPVQXNSJKK-KBPBESRZSA-N 2 1 266.454 3.095 20 0 CGADMP COc1ccc(C(C)C)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000049870545 572550919 /nfs/dbraw/zinc/55/09/19/572550919.db2.gz DTGJSGWMVMSOFA-UHFFFAOYSA-N 2 1 276.424 3.132 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000742373275 572570505 /nfs/dbraw/zinc/57/05/05/572570505.db2.gz JBHYDSDAXWKODG-UHFFFAOYSA-N 2 1 294.402 3.310 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C)C[C@H]1C ZINC000749118124 572989343 /nfs/dbraw/zinc/98/93/43/572989343.db2.gz ZHFVSAPLFNTNSC-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP CSC1CC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000926118739 618105669 /nfs/dbraw/zinc/10/56/69/618105669.db2.gz BSURXEZMSHBUEX-NOZYUVCASA-N 2 1 282.497 3.123 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091844686 618737380 /nfs/dbraw/zinc/73/73/80/618737380.db2.gz ZJQFWILTNHGSLZ-UHFFFAOYSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC000235659840 618816258 /nfs/dbraw/zinc/81/62/58/618816258.db2.gz LVNKRYAABURFCW-QWHCGFSZSA-N 2 1 266.816 3.160 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000235723980 618821426 /nfs/dbraw/zinc/82/14/26/618821426.db2.gz SWORQSAPUSJQNM-GXTWGEPZSA-N 2 1 266.816 3.160 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000924572555 618855536 /nfs/dbraw/zinc/85/55/36/618855536.db2.gz RSSXJBKOCICXNO-NXHRZFHOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CC=CCC1 ZINC000020088815 618975451 /nfs/dbraw/zinc/97/54/51/618975451.db2.gz OYYURBNGNNYOQQ-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000925586786 619074926 /nfs/dbraw/zinc/07/49/26/619074926.db2.gz FJSGIQVSEXSYOB-RCCFBDPRSA-N 2 1 298.515 3.274 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccccc1 ZINC000925624590 619094463 /nfs/dbraw/zinc/09/44/63/619094463.db2.gz ZZICHRLVOVBTDG-BBRMVZONSA-N 2 1 258.409 3.245 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cc2ccccc2o1 ZINC000925643076 619102610 /nfs/dbraw/zinc/10/26/10/619102610.db2.gz DVZJCESYDMYIGS-HFBAOOFYSA-N 2 1 270.376 3.353 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000312975701 619160159 /nfs/dbraw/zinc/16/01/59/619160159.db2.gz VSUFATOFFNEOIM-HZPDHXFCSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000312975701 619160160 /nfs/dbraw/zinc/16/01/60/619160160.db2.gz VSUFATOFFNEOIM-HZPDHXFCSA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925746825 619213572 /nfs/dbraw/zinc/21/35/72/619213572.db2.gz COFNGQSWSAOTFP-YRGRVCCFSA-N 2 1 293.480 3.175 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925782006 619243525 /nfs/dbraw/zinc/24/35/25/619243525.db2.gz CDXXBVQLDVBLNR-OXJKWZBOSA-N 2 1 266.816 3.030 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC000893652479 619270525 /nfs/dbraw/zinc/27/05/25/619270525.db2.gz UMKUQHCPFJCWRK-AWEZNQCLSA-N 2 1 294.389 3.096 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261652353 619298698 /nfs/dbraw/zinc/29/86/98/619298698.db2.gz BDTVLDRIUUNEBU-AWEZNQCLSA-N 2 1 286.341 3.185 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050664 619359129 /nfs/dbraw/zinc/35/91/29/619359129.db2.gz SNYKQUPJGXQMDN-TZMCWYRMSA-N 2 1 282.453 3.164 20 0 CGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000924958700 619461775 /nfs/dbraw/zinc/46/17/75/619461775.db2.gz GIVHWVLKVAJIBC-GVDBMIGSSA-N 2 1 284.488 3.026 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000894455884 619544231 /nfs/dbraw/zinc/54/42/31/619544231.db2.gz MYMLIMPETWDHDL-CQSZACIVSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[C@@H]1[N@@H+](CC2CC[NH+](C)CC2)CC12CCCC2 ZINC000894797004 619638704 /nfs/dbraw/zinc/63/87/04/619638704.db2.gz HEIXDBSMAUHTTG-INIZCTEOSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CSC1 ZINC000895421290 619826562 /nfs/dbraw/zinc/82/65/62/619826562.db2.gz DRAXZUUCOWCTTF-UHFFFAOYSA-N 2 1 292.492 3.097 20 0 CGADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CCCC[NH+]2CCCCC2)CCO1 ZINC000895683489 619872253 /nfs/dbraw/zinc/87/22/53/619872253.db2.gz MCOCKUUGBVCDCW-ZWKOTPCHSA-N 2 1 296.499 3.390 20 0 CGADMP CSCc1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000895841118 619891805 /nfs/dbraw/zinc/89/18/05/619891805.db2.gz DFVNIVCDUOOFPS-SJORKVTESA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000895841118 619891807 /nfs/dbraw/zinc/89/18/07/619891807.db2.gz DFVNIVCDUOOFPS-SJORKVTESA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000895841118 619891810 /nfs/dbraw/zinc/89/18/10/619891810.db2.gz DFVNIVCDUOOFPS-SJORKVTESA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000895841118 619891812 /nfs/dbraw/zinc/89/18/12/619891812.db2.gz DFVNIVCDUOOFPS-SJORKVTESA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000895841118 619891814 /nfs/dbraw/zinc/89/18/14/619891814.db2.gz DFVNIVCDUOOFPS-SJORKVTESA-N 2 1 290.476 3.076 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(C)o1 ZINC000163440560 620353596 /nfs/dbraw/zinc/35/35/96/620353596.db2.gz ALMRCNFQIJLERS-UHFFFAOYSA-N 2 1 264.413 3.106 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSC(C)(C)C2)CC1(C)C ZINC000897793312 620432202 /nfs/dbraw/zinc/43/22/02/620432202.db2.gz LWGFALQIVYKLFU-CHWSQXEVSA-N 2 1 270.486 3.123 20 0 CGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000924626796 620545581 /nfs/dbraw/zinc/54/55/81/620545581.db2.gz LVVQZMXXAGPRIA-IZXDZPFWSA-N 2 1 290.373 3.037 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CC=CC2)[C@H](C)C1 ZINC000926952470 620554216 /nfs/dbraw/zinc/55/42/16/620554216.db2.gz YHMMBZUDXVWAPZ-AEFFLSMTSA-N 2 1 294.483 3.069 20 0 CGADMP C[C@H]1CC2(CC([NH2+]CCCC[N@H+]3CCCC[C@@H]3C)C2)CO1 ZINC000924685365 620562570 /nfs/dbraw/zinc/56/25/70/620562570.db2.gz IJPCLFNFIGLVLT-VYMRPNJYSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2coc3ccccc23)C1 ZINC000924705887 620569251 /nfs/dbraw/zinc/56/92/51/620569251.db2.gz NCCMKWACANYOMM-KGLIPLIRSA-N 2 1 272.392 3.425 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000902415536 621308697 /nfs/dbraw/zinc/30/86/97/621308697.db2.gz HXFYLYXUGJXTGA-CYBMUJFWSA-N 2 1 299.443 3.268 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC=CCCC1)c1c[nH+]ccc1N ZINC000902458442 621334743 /nfs/dbraw/zinc/33/47/43/621334743.db2.gz XDLPNCHUIVWEMK-KGLIPLIRSA-N 2 1 259.397 3.281 20 0 CGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465720 621338513 /nfs/dbraw/zinc/33/85/13/621338513.db2.gz IEFUSJRPSRCQHH-OADPDTJPSA-N 2 1 298.352 3.119 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccncc2)C2CC2)c2ccccc21 ZINC000902516269 621359458 /nfs/dbraw/zinc/35/94/58/621359458.db2.gz CISPYIXGOUTIBQ-KZNAEPCWSA-N 2 1 279.387 3.267 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902789453 621447291 /nfs/dbraw/zinc/44/72/91/621447291.db2.gz GYNXADBXSMSJOE-WBVHZDCISA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903078304 621559714 /nfs/dbraw/zinc/55/97/14/621559714.db2.gz FTQGWDWPSQHWDC-LQDVMPOASA-N 2 1 250.430 3.170 20 0 CGADMP CSC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000903156906 621601340 /nfs/dbraw/zinc/60/13/40/621601340.db2.gz RJSBHAIRYGWCTA-ZKLCHKPXSA-N 2 1 296.524 3.371 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)[C@H]2CCC[C@H]21 ZINC000903160590 621605502 /nfs/dbraw/zinc/60/55/02/621605502.db2.gz RBUFTTWCDVTLRQ-YEUBTCNTSA-N 2 1 294.508 3.123 20 0 CGADMP FC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903192881 621620491 /nfs/dbraw/zinc/62/04/91/621620491.db2.gz AXGUFOWTSLLYRM-XZEDPRPASA-N 2 1 280.431 3.262 20 0 CGADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903198753 621622976 /nfs/dbraw/zinc/62/29/76/621622976.db2.gz FLINPKSYJZCGTP-NCCWBEGSSA-N 2 1 296.458 3.462 20 0 CGADMP c1ccc2c(c1)COC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903190054 621628045 /nfs/dbraw/zinc/62/80/45/621628045.db2.gz OCRUZIKQNRZCQU-SOXMVSPVSA-N 2 1 298.430 3.005 20 0 CGADMP c1ccc2c(c1)COC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903190054 621628051 /nfs/dbraw/zinc/62/80/51/621628051.db2.gz OCRUZIKQNRZCQU-SOXMVSPVSA-N 2 1 298.430 3.005 20 0 CGADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000903253423 621642835 /nfs/dbraw/zinc/64/28/35/621642835.db2.gz KHVSOXAWCPQTPB-GEALJGNFSA-N 2 1 298.474 3.328 20 0 CGADMP CCCCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903313611 621685322 /nfs/dbraw/zinc/68/53/22/621685322.db2.gz UTNQKJRZOJUZIW-VHRNVKJDSA-N 2 1 262.441 3.457 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccnc1 ZINC000903380105 621721950 /nfs/dbraw/zinc/72/19/50/621721950.db2.gz KAXUESYLEDKESJ-CVEARBPZSA-N 2 1 275.440 3.243 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccnc1 ZINC000903380108 621722180 /nfs/dbraw/zinc/72/21/80/621722180.db2.gz KAXUESYLEDKESJ-JKSUJKDBSA-N 2 1 275.440 3.243 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000903430622 621743598 /nfs/dbraw/zinc/74/35/98/621743598.db2.gz YFWSRDHENLUUAB-APHBMKBZSA-N 2 1 262.372 3.090 20 0 CGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432557 621744241 /nfs/dbraw/zinc/74/42/41/621744241.db2.gz DYWHVQBDTPHPKY-HIFRSBDPSA-N 2 1 296.842 3.168 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438975 621748079 /nfs/dbraw/zinc/74/80/79/621748079.db2.gz AAVZPQWHKWPLEI-LNCBFAARSA-N 2 1 276.399 3.064 20 0 CGADMP FCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903752008 621800534 /nfs/dbraw/zinc/80/05/34/621800534.db2.gz OEOYUPIXLBHSGV-NVXWUHKLSA-N 2 1 276.399 3.120 20 0 CGADMP FCc1ccccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784702 621808091 /nfs/dbraw/zinc/80/80/91/621808091.db2.gz QJMNXZSALWKKBN-QGZVFWFLSA-N 2 1 276.399 3.122 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890290 621824266 /nfs/dbraw/zinc/82/42/66/621824266.db2.gz BETHETGTOITUIO-JALIKCBVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914139 621832964 /nfs/dbraw/zinc/83/29/64/621832964.db2.gz GUIVOVHGIBVGQW-WYTNZGFTSA-N 2 1 290.373 3.180 20 0 CGADMP C[C@H]1CC2(CCC2)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903917005 621836249 /nfs/dbraw/zinc/83/62/49/621836249.db2.gz JJHCWJFVJRKUPJ-AWEZNQCLSA-N 2 1 270.420 3.097 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000903959455 621836859 /nfs/dbraw/zinc/83/68/59/621836859.db2.gz IHMPGMDRSLNDFV-OAHLLOKOSA-N 2 1 264.438 3.022 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904301229 621901944 /nfs/dbraw/zinc/90/19/44/621901944.db2.gz JFFNYWOSEATOJW-MSOLQXFVSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904325364 621907559 /nfs/dbraw/zinc/90/75/59/621907559.db2.gz XPBFDGHAPANKKK-BPQIPLTHSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000904345845 621910182 /nfs/dbraw/zinc/91/01/82/621910182.db2.gz KACIYEHBFFUWBG-HOTGVXAUSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@H]1C[N@H+](Cc2csc(Cl)c2Cl)CC[C@@H]1C[NH3+] ZINC000904411006 621919141 /nfs/dbraw/zinc/91/91/41/621919141.db2.gz SLXIYDXKXNDLNA-DTWKUNHWSA-N 2 1 293.263 3.472 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc(Cl)c2Cl)CC[C@@H]1C[NH3+] ZINC000904411006 621919142 /nfs/dbraw/zinc/91/91/42/621919142.db2.gz SLXIYDXKXNDLNA-DTWKUNHWSA-N 2 1 293.263 3.472 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)C2)C1 ZINC000906589656 622251621 /nfs/dbraw/zinc/25/16/21/622251621.db2.gz LHJVZCJCBJWLFV-KURKYZTESA-N 2 1 288.410 3.099 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)C2)C1 ZINC000906589656 622251623 /nfs/dbraw/zinc/25/16/23/622251623.db2.gz LHJVZCJCBJWLFV-KURKYZTESA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)C2)C1 ZINC000906589656 622251626 /nfs/dbraw/zinc/25/16/26/622251626.db2.gz LHJVZCJCBJWLFV-KURKYZTESA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)C2)C1 ZINC000906589656 622251628 /nfs/dbraw/zinc/25/16/28/622251628.db2.gz LHJVZCJCBJWLFV-KURKYZTESA-N 2 1 288.410 3.099 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000057994486 622895527 /nfs/dbraw/zinc/89/55/27/622895527.db2.gz CYEDHDKXKWVDNL-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226538951 622980439 /nfs/dbraw/zinc/98/04/39/622980439.db2.gz WJKFOJDDSSXOSK-UXIGCNINSA-N 2 1 266.816 3.460 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088432441 623448197 /nfs/dbraw/zinc/44/81/97/623448197.db2.gz YDJODUYQBDHUOR-LBPRGKRZSA-N 2 1 266.351 3.170 20 0 CGADMP Cc1ccc([C@@H](C)NCC[N@@H+]2CCC[C@@H]2C)cc1C ZINC000766272991 624044398 /nfs/dbraw/zinc/04/43/98/624044398.db2.gz MMCJDKFGXQNWIT-JKSUJKDBSA-N 2 1 260.425 3.438 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841030587 635109371 /nfs/dbraw/zinc/10/93/71/635109371.db2.gz JLWZMNFUWJOLIY-UHFFFAOYSA-N 2 1 278.343 3.125 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]21 ZINC000230125940 625856443 /nfs/dbraw/zinc/85/64/43/625856443.db2.gz PSJIHHMPWMLPGU-QLFBSQMISA-N 2 1 280.362 3.183 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000921790746 625876192 /nfs/dbraw/zinc/87/61/92/625876192.db2.gz MWMJENFWOMMVHQ-MOTUXRJWSA-N 2 1 282.497 3.266 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000921790746 625876195 /nfs/dbraw/zinc/87/61/95/625876195.db2.gz MWMJENFWOMMVHQ-MOTUXRJWSA-N 2 1 282.497 3.266 20 0 CGADMP CSCc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000922181035 625980555 /nfs/dbraw/zinc/98/05/55/625980555.db2.gz KXAITOJLNJKHNA-MRXNPFEDSA-N 2 1 292.492 3.371 20 0 CGADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCS2 ZINC000922840914 626055042 /nfs/dbraw/zinc/05/50/42/626055042.db2.gz UIFYMFHEQYKKCS-RRFJBIMHSA-N 2 1 280.481 3.021 20 0 CGADMP c1cc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)cs1 ZINC000923371167 626149478 /nfs/dbraw/zinc/14/94/78/626149478.db2.gz QDRZVUPGWKKHCU-UHFFFAOYSA-N 2 1 264.438 3.070 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000923482685 626157055 /nfs/dbraw/zinc/15/70/55/626157055.db2.gz IAYHZMKIPZEDJS-CYBMUJFWSA-N 2 1 293.480 3.362 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC[C@@H]1C[NH3+] ZINC000923492245 626157648 /nfs/dbraw/zinc/15/76/48/626157648.db2.gz APZXREZXOPVYIA-XHBSWPGZSA-N 2 1 278.827 3.244 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000923492437 626157865 /nfs/dbraw/zinc/15/78/65/626157865.db2.gz ONXIBNSAZNNWNQ-MRXNPFEDSA-N 2 1 298.430 3.279 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923494053 626158740 /nfs/dbraw/zinc/15/87/40/626158740.db2.gz VMHPAQFRFOWWTR-WCQYABFASA-N 2 1 286.341 3.122 20 0 CGADMP C[C@]1(Cc2cccs2)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923532157 626161792 /nfs/dbraw/zinc/16/17/92/626161792.db2.gz ZZDAQTOQXXWUJY-IJEWVQPXSA-N 2 1 278.465 3.273 20 0 CGADMP C[C@H]([NH2+]CCCCCCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754463355 626572921 /nfs/dbraw/zinc/57/29/21/626572921.db2.gz AEPITNCKFHGPAV-DLBZAZTESA-N 2 1 296.499 3.172 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cncc3ccccc32)CC1 ZINC000759978519 626933420 /nfs/dbraw/zinc/93/34/20/626933420.db2.gz WYGHGHWOTCDBJA-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cncc3ccccc32)CC1 ZINC000759978519 626933422 /nfs/dbraw/zinc/93/34/22/626933422.db2.gz WYGHGHWOTCDBJA-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000764967652 627234627 /nfs/dbraw/zinc/23/46/27/627234627.db2.gz WYCPPOJDPWMRIH-HZSPNIEDSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000764967652 627234629 /nfs/dbraw/zinc/23/46/29/627234629.db2.gz WYCPPOJDPWMRIH-HZSPNIEDSA-N 2 1 270.486 3.123 20 0 CGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000765975899 627282940 /nfs/dbraw/zinc/28/29/40/627282940.db2.gz MJXMELIPBYZNJE-SFHVURJKSA-N 2 1 294.483 3.332 20 0 CGADMP Oc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC000766098084 627295780 /nfs/dbraw/zinc/29/57/80/627295780.db2.gz MCTGVMMJNUZRSE-UHFFFAOYSA-N 2 1 292.398 3.028 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3nc(C)sc32)[C@H](C)C1 ZINC000766258911 627308071 /nfs/dbraw/zinc/30/80/71/627308071.db2.gz PWCGFPNVTPWZNC-ZLDLUXBVSA-N 2 1 293.480 3.149 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3nc(C)sc32)[C@H](C)C1 ZINC000766258911 627308074 /nfs/dbraw/zinc/30/80/74/627308074.db2.gz PWCGFPNVTPWZNC-ZLDLUXBVSA-N 2 1 293.480 3.149 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCSC2)C1 ZINC000769013403 627516879 /nfs/dbraw/zinc/51/68/79/627516879.db2.gz MIYUNKTZUKQKHG-XHSDSOJGSA-N 2 1 284.513 3.230 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000769486673 627559127 /nfs/dbraw/zinc/55/91/27/627559127.db2.gz VGFSZFMDVMZTKE-HIFRSBDPSA-N 2 1 295.858 3.206 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000769486673 627559129 /nfs/dbraw/zinc/55/91/29/627559129.db2.gz VGFSZFMDVMZTKE-HIFRSBDPSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000769486673 627559132 /nfs/dbraw/zinc/55/91/32/627559132.db2.gz VGFSZFMDVMZTKE-HIFRSBDPSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)[C@H](C)C1 ZINC000769486673 627559133 /nfs/dbraw/zinc/55/91/33/627559133.db2.gz VGFSZFMDVMZTKE-HIFRSBDPSA-N 2 1 295.858 3.206 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000771934995 627746469 /nfs/dbraw/zinc/74/64/69/627746469.db2.gz GTMSFYHBHASEFV-UHFFFAOYSA-N 2 1 284.403 3.086 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000774145826 627951306 /nfs/dbraw/zinc/95/13/06/627951306.db2.gz BZTTWEIARQONFN-FCLXEUQJSA-N 2 1 276.399 3.144 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620506 628289155 /nfs/dbraw/zinc/28/91/55/628289155.db2.gz QZAJLXQIKDLSBN-WMLDXEAASA-N 2 1 278.415 3.318 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620506 628289158 /nfs/dbraw/zinc/28/91/58/628289158.db2.gz QZAJLXQIKDLSBN-WMLDXEAASA-N 2 1 278.415 3.318 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620506 628289163 /nfs/dbraw/zinc/28/91/63/628289163.db2.gz QZAJLXQIKDLSBN-WMLDXEAASA-N 2 1 278.415 3.318 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C2CC2)CC1 ZINC000777687202 628292853 /nfs/dbraw/zinc/29/28/53/628292853.db2.gz KCKUFWWNFPBHKK-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417585 628558953 /nfs/dbraw/zinc/55/89/53/628558953.db2.gz YFFJUSSQYYGKQG-UKRRQHHQSA-N 2 1 278.465 3.491 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000788480600 628663785 /nfs/dbraw/zinc/66/37/85/628663785.db2.gz ARKZGNFWIZAPSP-RHSMWYFYSA-N 2 1 258.409 3.021 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000788473887 629057700 /nfs/dbraw/zinc/05/77/00/629057700.db2.gz LVTWODSSJYEMGK-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[NH+](C)C ZINC000862268005 629334297 /nfs/dbraw/zinc/33/42/97/629334297.db2.gz RJFUHUCEFDHQJX-SMDDNHRTSA-N 2 1 276.415 3.376 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)CCCc1c(Cl)cccc1Cl ZINC000863651741 629632573 /nfs/dbraw/zinc/63/25/73/629632573.db2.gz LOTSCJOBLPIRNK-JTQLQIEISA-N 2 1 275.223 3.205 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1c(Cl)cccc1Cl ZINC000863651741 629632576 /nfs/dbraw/zinc/63/25/76/629632576.db2.gz LOTSCJOBLPIRNK-JTQLQIEISA-N 2 1 275.223 3.205 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+]CCC[NH+](C)C)cc1Cl ZINC000796666234 629812581 /nfs/dbraw/zinc/81/25/81/629812581.db2.gz OGBWRHXXAKBANE-LBPRGKRZSA-N 2 1 284.831 3.259 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1Cl ZINC000796674636 629813679 /nfs/dbraw/zinc/81/36/79/629813679.db2.gz IRYMZNXWRWSDAC-GFCCVEGCSA-N 2 1 296.842 3.402 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000865439100 630124666 /nfs/dbraw/zinc/12/46/66/630124666.db2.gz OIPZFPMRXMJSDU-UHFFFAOYSA-N 2 1 287.407 3.159 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC000865456709 630131566 /nfs/dbraw/zinc/13/15/66/630131566.db2.gz QDLMJUDDLXQULM-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)C(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000808728735 630671718 /nfs/dbraw/zinc/67/17/18/630671718.db2.gz UUNFGNURCYMHGB-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000808728735 630671719 /nfs/dbraw/zinc/67/17/19/630671719.db2.gz UUNFGNURCYMHGB-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000808728735 630671721 /nfs/dbraw/zinc/67/17/21/630671721.db2.gz UUNFGNURCYMHGB-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000808728735 630671723 /nfs/dbraw/zinc/67/17/23/630671723.db2.gz UUNFGNURCYMHGB-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccoc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738619 630795555 /nfs/dbraw/zinc/79/55/55/630795555.db2.gz BWLQQGPIZQMVGC-UHFFFAOYSA-N 2 1 272.392 3.282 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cnc2ccccc2c1 ZINC000809755284 630800434 /nfs/dbraw/zinc/80/04/34/630800434.db2.gz HUPVFUZXAQMWAS-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc2ccccc2c1 ZINC000809755284 630800439 /nfs/dbraw/zinc/80/04/39/630800439.db2.gz HUPVFUZXAQMWAS-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000817910348 632234141 /nfs/dbraw/zinc/23/41/41/632234141.db2.gz RZGYCMMJSPQFOE-JCKWVBRZSA-N 2 1 298.386 3.186 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CC([NH3+])(CC)CC)c1 ZINC000817959321 632254497 /nfs/dbraw/zinc/25/44/97/632254497.db2.gz APPBTFQLWDYSPF-ZDUSSCGKSA-N 2 1 264.413 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000817963972 632259005 /nfs/dbraw/zinc/25/90/05/632259005.db2.gz ZSVHREAQKZZKDK-JSGCOSHPSA-N 2 1 252.377 3.302 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817966412 632261612 /nfs/dbraw/zinc/26/16/12/632261612.db2.gz NGHMTUWCYNBBMD-RNCFNFMXSA-N 2 1 286.391 3.316 20 0 CGADMP COc1cc([C@H](C)[NH2+]C[C@H](C)[NH3+])ccc1SC(F)F ZINC000817971361 632264748 /nfs/dbraw/zinc/26/47/48/632264748.db2.gz LNGKRXYGZHFBNP-IUCAKERBSA-N 2 1 290.379 3.008 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822603121 632983504 /nfs/dbraw/zinc/98/35/04/632983504.db2.gz WVKIICJYEVUWKH-LBPRGKRZSA-N 2 1 293.282 3.375 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccn1 ZINC000866218628 633033846 /nfs/dbraw/zinc/03/38/46/633033846.db2.gz UHLXGAYXYAFHRP-SFHVURJKSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccccn1 ZINC000866237439 633039095 /nfs/dbraw/zinc/03/90/95/633039095.db2.gz COTPDMBVUJUROJ-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000866451706 633141049 /nfs/dbraw/zinc/14/10/49/633141049.db2.gz WJBRMNQTDVEDFA-CIDNJEQPSA-N 2 1 282.472 3.185 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC[N@H+]1C ZINC000866451706 633141055 /nfs/dbraw/zinc/14/10/55/633141055.db2.gz WJBRMNQTDVEDFA-CIDNJEQPSA-N 2 1 282.472 3.185 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4cccnc4o3)C2)CC1 ZINC000824332240 633231939 /nfs/dbraw/zinc/23/19/39/633231939.db2.gz GQWZEHNHTQSJPK-UHFFFAOYSA-N 2 1 299.418 3.136 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000866706023 633233922 /nfs/dbraw/zinc/23/39/22/633233922.db2.gz FBIPTGJOABUXAU-LJQANCHMSA-N 2 1 297.446 3.432 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)n1 ZINC000866710298 633235530 /nfs/dbraw/zinc/23/55/30/633235530.db2.gz XTRLEJORVKRJJK-GOSISDBHSA-N 2 1 289.467 3.204 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000866707412 633236066 /nfs/dbraw/zinc/23/60/66/633236066.db2.gz OAHKMBSQCOHMNX-WCQYABFASA-N 2 1 293.282 3.267 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]CCC3CCC3)CC2)cc1 ZINC000122992716 633538536 /nfs/dbraw/zinc/53/85/36/633538536.db2.gz YNTYENRODRKJBD-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@@H]1Cc2[nH+]cn(CCCCCCC[NH3+])c2C[C@@H]1C ZINC000830409378 633860696 /nfs/dbraw/zinc/86/06/96/633860696.db2.gz NSIFXXJNAJMPSW-KGLIPLIRSA-N 2 1 263.429 3.163 20 0 CGADMP CC(C)(C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+]1CCCCC1 ZINC000872016181 633936594 /nfs/dbraw/zinc/93/65/94/633936594.db2.gz GSQCVTSWLJJBTH-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000872019571 633940636 /nfs/dbraw/zinc/94/06/36/633940636.db2.gz WUCRNGPSWWHZBB-LLVKDONJSA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)CC ZINC000872022431 633943261 /nfs/dbraw/zinc/94/32/61/633943261.db2.gz WOUYTXYZAYVJPD-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872026107 633946272 /nfs/dbraw/zinc/94/62/72/633946272.db2.gz AWVKIRYFDPTIEB-ZACQAIPSSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872026107 633946275 /nfs/dbraw/zinc/94/62/75/633946275.db2.gz AWVKIRYFDPTIEB-ZACQAIPSSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)CC ZINC000872035444 633954551 /nfs/dbraw/zinc/95/45/51/633954551.db2.gz MNYUOFUJXJXJQI-HZPDHXFCSA-N 2 1 284.488 3.028 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCCOC1 ZINC000872053814 633977278 /nfs/dbraw/zinc/97/72/78/633977278.db2.gz WVMRALJRSNRHQU-KSZLIROESA-N 2 1 296.499 3.149 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872073712 633995546 /nfs/dbraw/zinc/99/55/46/633995546.db2.gz VEHCFXSNBKDBFW-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872073712 633995554 /nfs/dbraw/zinc/99/55/54/633995554.db2.gz VEHCFXSNBKDBFW-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(O)c1F ZINC000872079514 634003179 /nfs/dbraw/zinc/00/31/79/634003179.db2.gz ZCQPZZLOENRAGJ-GFCCVEGCSA-N 2 1 280.387 3.056 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCCc1ccsc1 ZINC000872155877 634066688 /nfs/dbraw/zinc/06/66/88/634066688.db2.gz ZJANXZNGQLNBIS-UHFFFAOYSA-N 2 1 254.443 3.132 20 0 CGADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000872157401 634067145 /nfs/dbraw/zinc/06/71/45/634067145.db2.gz OLJUWLIKHGUDIE-CWLKWCNXSA-N 2 1 294.483 3.031 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872469515 634152083 /nfs/dbraw/zinc/15/20/83/634152083.db2.gz WFBAZEZEWUVPNX-AWEZNQCLSA-N 2 1 273.424 3.127 20 0 CGADMP CC(C)[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCC1 ZINC000873205621 634285222 /nfs/dbraw/zinc/28/52/22/634285222.db2.gz QEYKUEZGNPGXFQ-UHFFFAOYSA-N 2 1 264.438 3.157 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)CCO2 ZINC000834910695 634285646 /nfs/dbraw/zinc/28/56/46/634285646.db2.gz WNAHWWMOHRFLHB-CQSZACIVSA-N 2 1 288.435 3.147 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1)C1CCCC1 ZINC000873232672 634294574 /nfs/dbraw/zinc/29/45/74/634294574.db2.gz VPZFBRYKCAADMV-BFYDXBDKSA-N 2 1 296.524 3.359 20 0 CGADMP CC1(C)CC[C@H](C[NH2+]C2CCC3(CCOCC3)CC2)[NH2+]C1 ZINC000873236038 634295396 /nfs/dbraw/zinc/29/53/96/634295396.db2.gz WKVQSZVBDJTOOH-MRXNPFEDSA-N 2 1 294.483 3.094 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000873249171 634300722 /nfs/dbraw/zinc/30/07/22/634300722.db2.gz LJHXCSAKKZIREU-GHMZBOCLSA-N 2 1 266.351 3.085 20 0 CGADMP C[C@H](CCCC[NH3+])[NH2+]CC(F)(F)c1ccc(F)cc1F ZINC000873281648 634316370 /nfs/dbraw/zinc/31/63/70/634316370.db2.gz NXWRNTANEFDYGA-SNVBAGLBSA-N 2 1 292.320 3.164 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000873282576 634316604 /nfs/dbraw/zinc/31/66/04/634316604.db2.gz VNCHGBWEHZATJZ-NWDGAFQWSA-N 2 1 252.427 3.015 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876896509 634923501 /nfs/dbraw/zinc/92/35/01/634923501.db2.gz GCZHPRAHXKOXRM-CYBMUJFWSA-N 2 1 295.858 3.276 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876896509 634923504 /nfs/dbraw/zinc/92/35/04/634923504.db2.gz GCZHPRAHXKOXRM-CYBMUJFWSA-N 2 1 295.858 3.276 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877115271 634988009 /nfs/dbraw/zinc/98/80/09/634988009.db2.gz JTLATCLUUDIOGJ-QWHCGFSZSA-N 2 1 293.282 3.138 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2c(ccnc2Cl)o1 ZINC000877527058 635071980 /nfs/dbraw/zinc/07/19/80/635071980.db2.gz KRASAWWSZGAAJC-UHFFFAOYSA-N 2 1 295.814 3.255 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2c(ccnc2Cl)o1 ZINC000877527058 635071982 /nfs/dbraw/zinc/07/19/82/635071982.db2.gz KRASAWWSZGAAJC-UHFFFAOYSA-N 2 1 295.814 3.255 20 0 CGADMP Cc1cc([NH+](C)C)cc(C)c1NCC[NH2+]C(C)(C)C ZINC000841011428 635106332 /nfs/dbraw/zinc/10/63/32/635106332.db2.gz IGVZZAQRIBNYPP-UHFFFAOYSA-N 2 1 263.429 3.169 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CC1(F)F ZINC000877733250 635168259 /nfs/dbraw/zinc/16/82/59/635168259.db2.gz PPLHNSABKVLMON-QEJZJMRPSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CC1(F)F ZINC000877733250 635168261 /nfs/dbraw/zinc/16/82/61/635168261.db2.gz PPLHNSABKVLMON-QEJZJMRPSA-N 2 1 286.410 3.417 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000878132996 635372759 /nfs/dbraw/zinc/37/27/59/635372759.db2.gz DWWGHPOQENGCTG-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000842471888 635376200 /nfs/dbraw/zinc/37/62/00/635376200.db2.gz FEAWMYZISCZJKX-QGZVFWFLSA-N 2 1 276.424 3.438 20 0 CGADMP [NH3+]CCCCCCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000842473499 635378078 /nfs/dbraw/zinc/37/80/78/635378078.db2.gz WIUFIFLQGIMSFE-QGZVFWFLSA-N 2 1 282.472 3.319 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148012 635378189 /nfs/dbraw/zinc/37/81/89/635378189.db2.gz LKQHZYQSPHYHTP-JKSUJKDBSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000878163569 635388168 /nfs/dbraw/zinc/38/81/68/635388168.db2.gz USJGKFWVNYPOSI-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCC2(F)F)CC[N@H+]1C ZINC000878163569 635388172 /nfs/dbraw/zinc/38/81/72/635388172.db2.gz USJGKFWVNYPOSI-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)CC[NH+]1C ZINC000878163569 635388174 /nfs/dbraw/zinc/38/81/74/635388174.db2.gz USJGKFWVNYPOSI-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)CC[NH+]1C ZINC000878163569 635388178 /nfs/dbraw/zinc/38/81/78/635388178.db2.gz USJGKFWVNYPOSI-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCSC(C)(C)C)CC1 ZINC000878513161 635538956 /nfs/dbraw/zinc/53/89/56/635538956.db2.gz WKZVQTAUCPMMIS-AWEZNQCLSA-N 2 1 272.502 3.324 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1cccnc1Cl)CC1CCCC1 ZINC000843123675 635560044 /nfs/dbraw/zinc/56/00/44/635560044.db2.gz NBJXGTGSZRWZAM-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cccnc1Cl)CC1CCCC1 ZINC000843123675 635560049 /nfs/dbraw/zinc/56/00/49/635560049.db2.gz NBJXGTGSZRWZAM-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125525 635562142 /nfs/dbraw/zinc/56/21/42/635562142.db2.gz XPDULKRDKSCMAI-NVXWUHKLSA-N 2 1 295.430 3.056 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[C@@H]1CCCC1(F)F)C2 ZINC000878663497 635595696 /nfs/dbraw/zinc/59/56/96/635595696.db2.gz ZYXQUDOTMVYWKQ-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000878663497 635595702 /nfs/dbraw/zinc/59/57/02/635595702.db2.gz ZYXQUDOTMVYWKQ-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000878663497 635595704 /nfs/dbraw/zinc/59/57/04/635595704.db2.gz ZYXQUDOTMVYWKQ-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000843355448 635652264 /nfs/dbraw/zinc/65/22/64/635652264.db2.gz POVJNYFUVNHUEG-FXQLRMTLSA-N 2 1 252.446 3.405 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880471647 636007096 /nfs/dbraw/zinc/00/70/96/636007096.db2.gz YUBKEONKZNCWMJ-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000880475789 636008008 /nfs/dbraw/zinc/00/80/08/636008008.db2.gz XWNJBQAZBQBOMD-UHFFFAOYSA-N 2 1 292.854 3.443 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](CCCc2ccsc2)CC1 ZINC000880474300 636008487 /nfs/dbraw/zinc/00/84/87/636008487.db2.gz XWOWJVJAHLVWKW-UHFFFAOYSA-N 2 1 278.465 3.241 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000846223696 636163045 /nfs/dbraw/zinc/16/30/45/636163045.db2.gz MGPAZKSNDGZHMP-UHFFFAOYSA-N 2 1 272.845 3.279 20 0 CGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000849063843 636736893 /nfs/dbraw/zinc/73/68/93/636736893.db2.gz QUIZKNREIJLCSR-HOTGVXAUSA-N 2 1 296.503 3.047 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1C[NH3+] ZINC000883433641 636753900 /nfs/dbraw/zinc/75/39/00/636753900.db2.gz VNYAAMNNIGRCGW-ZOBORPQBSA-N 2 1 274.399 3.117 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883461823 636760766 /nfs/dbraw/zinc/76/07/66/636760766.db2.gz DVUVPDSKQQCUPO-SFHVURJKSA-N 2 1 296.499 3.424 20 0 CGADMP Cc1cscc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132182953 636789984 /nfs/dbraw/zinc/78/99/84/636789984.db2.gz DXXQUHYNYXUZKV-CABCVRRESA-N 2 1 258.390 3.291 20 0 CGADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000850385987 637042980 /nfs/dbraw/zinc/04/29/80/637042980.db2.gz DSDPKJPQLARYCR-KANFNMMFSA-N 2 1 299.462 3.009 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc2cnccc2o1 ZINC000850440083 637065016 /nfs/dbraw/zinc/06/50/16/637065016.db2.gz SHXCJJJTGCZGFJ-QEJZJMRPSA-N 2 1 287.407 3.351 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCSC(F)(F)F)CC1 ZINC000885983837 637343245 /nfs/dbraw/zinc/34/32/45/637343245.db2.gz QZADKGASZQYXHL-UHFFFAOYSA-N 2 1 298.418 3.292 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027066 637372025 /nfs/dbraw/zinc/37/20/25/637372025.db2.gz BWIFGZANRMYVJU-NXHRZFHOSA-N 2 1 276.468 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027066 637372033 /nfs/dbraw/zinc/37/20/33/637372033.db2.gz BWIFGZANRMYVJU-NXHRZFHOSA-N 2 1 276.468 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027066 637372038 /nfs/dbraw/zinc/37/20/38/637372038.db2.gz BWIFGZANRMYVJU-NXHRZFHOSA-N 2 1 276.468 3.086 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030435 637372932 /nfs/dbraw/zinc/37/29/32/637372932.db2.gz KRWQGFWNFZSJGX-UAGQMJEPSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030435 637372936 /nfs/dbraw/zinc/37/29/36/637372936.db2.gz KRWQGFWNFZSJGX-UAGQMJEPSA-N 2 1 264.457 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030435 637372943 /nfs/dbraw/zinc/37/29/43/637372943.db2.gz KRWQGFWNFZSJGX-UAGQMJEPSA-N 2 1 264.457 3.086 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000220324065 637655948 /nfs/dbraw/zinc/65/59/48/637655948.db2.gz NCDOWRUSQBOCHG-UHFFFAOYSA-N 2 1 266.816 3.350 20 0 CGADMP COc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1Cl ZINC000852741276 637703656 /nfs/dbraw/zinc/70/36/56/637703656.db2.gz PQSLOYKOXRJWJN-UHFFFAOYSA-N 2 1 282.815 3.050 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000852755234 637707216 /nfs/dbraw/zinc/70/72/16/637707216.db2.gz IHFXWALKEILFON-UHFFFAOYSA-N 2 1 285.435 3.435 20 0 CGADMP C(CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)CC1CCOCC1 ZINC000886874204 637714950 /nfs/dbraw/zinc/71/49/50/637714950.db2.gz ITEUXJQWIFORNV-GOSISDBHSA-N 2 1 294.483 3.049 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000886876140 637716079 /nfs/dbraw/zinc/71/60/79/637716079.db2.gz OAWXTIUWZKLSHN-CRAIPNDOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134458 637754837 /nfs/dbraw/zinc/75/48/37/637754837.db2.gz KAKQDTMFMABDRY-ZIAGYGMSSA-N 2 1 297.393 3.274 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCCC1 ZINC000854224839 638027235 /nfs/dbraw/zinc/02/72/35/638027235.db2.gz ZPQDNIOEZRMOHJ-CYBMUJFWSA-N 2 1 280.412 3.224 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H]1CCCC[C@H]1CCCO)C(C)C ZINC000924557325 638361392 /nfs/dbraw/zinc/36/13/92/638361392.db2.gz SJTWBFMLKPDIBO-IRXDYDNUSA-N 2 1 284.488 3.026 20 0 CGADMP C[C@H]1CC2(CC([NH2+]CCC[N@@H+](C)C3CCCCC3)C2)CO1 ZINC000924601935 638372365 /nfs/dbraw/zinc/37/23/65/638372365.db2.gz TVELPVRZTGFJAH-HJOIGYKYSA-N 2 1 294.483 3.188 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)[NH+](C)C ZINC000924633151 638380421 /nfs/dbraw/zinc/38/04/21/638380421.db2.gz NHBOUFNAPUUHIN-FGTMMUONSA-N 2 1 296.499 3.148 20 0 CGADMP C([NH2+][C@H](C1CCC1)C1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924649536 638382526 /nfs/dbraw/zinc/38/25/26/638382526.db2.gz PGDWLBRTHLINSH-KSSFIOAISA-N 2 1 276.468 3.419 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924861919 638416866 /nfs/dbraw/zinc/41/68/66/638416866.db2.gz OXTWNZBUFGWHIF-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000924961047 638432677 /nfs/dbraw/zinc/43/26/77/638432677.db2.gz SMKXSTFCTNHQHZ-WFASDCNBSA-N 2 1 279.428 3.062 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000924961047 638432681 /nfs/dbraw/zinc/43/26/81/638432681.db2.gz SMKXSTFCTNHQHZ-WFASDCNBSA-N 2 1 279.428 3.062 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925481731 638508784 /nfs/dbraw/zinc/50/87/84/638508784.db2.gz KCHVRPDYVCJOGU-IAGOWNOFSA-N 2 1 270.420 3.320 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000925566358 638532119 /nfs/dbraw/zinc/53/21/19/638532119.db2.gz HFUNIGHKWJPDOE-DZGCQCFKSA-N 2 1 276.449 3.041 20 0 CGADMP Clc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925654274 638558229 /nfs/dbraw/zinc/55/82/29/638558229.db2.gz FRVKHSYHTADOGK-BPUTZDHNSA-N 2 1 290.838 3.460 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccccc1 ZINC000925660312 638560699 /nfs/dbraw/zinc/56/06/99/638560699.db2.gz KXVZKPMIZUAONX-KUHUBIRLSA-N 2 1 293.414 3.389 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)c2ccccc2O1 ZINC000925680759 638567373 /nfs/dbraw/zinc/56/73/73/638567373.db2.gz TXWJCKWFIWRKTD-DWFBYQHXSA-N 2 1 286.419 3.017 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccccc1 ZINC000925725927 638584063 /nfs/dbraw/zinc/58/40/63/638584063.db2.gz ODHYLRKTJWWURZ-URLQWDBASA-N 2 1 295.430 3.264 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(C(F)(F)F)nc1 ZINC000925729572 638586161 /nfs/dbraw/zinc/58/61/61/638586161.db2.gz KSCAIQAWVBCGPN-IRUJWGPZSA-N 2 1 299.340 3.021 20 0 CGADMP CC[C@@H]([NH2+]CCc1cnc2ccccc2c1)[C@H]1CCCC[NH2+]1 ZINC000925835475 638627061 /nfs/dbraw/zinc/62/70/61/638627061.db2.gz QBNXEDWJRLRXTF-IEBWSBKVSA-N 2 1 297.446 3.288 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1(C)C ZINC000858184114 638651981 /nfs/dbraw/zinc/65/19/81/638651981.db2.gz HOCSYHJYBNERSD-YUTCNCBUSA-N 2 1 276.827 3.154 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858490594 638740958 /nfs/dbraw/zinc/74/09/58/638740958.db2.gz KCKVANQBDWEMLT-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926449049 638772509 /nfs/dbraw/zinc/77/25/09/638772509.db2.gz COJOIPDAPAJMMR-CVEARBPZSA-N 2 1 291.483 3.128 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926449049 638772511 /nfs/dbraw/zinc/77/25/11/638772511.db2.gz COJOIPDAPAJMMR-CVEARBPZSA-N 2 1 291.483 3.128 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC2CCC1CC2)C1CC1 ZINC000926560566 638785361 /nfs/dbraw/zinc/78/53/61/638785361.db2.gz RVZFXAKUPAJASV-ZBCRRDGASA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H](CN(C)C)OCC)c1ccsc1 ZINC000926963860 638829291 /nfs/dbraw/zinc/82/92/91/638829291.db2.gz VLPHPMXGIANLNK-GJZGRUSLSA-N 2 1 284.469 3.146 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCOC(C)(C)C)cc1 ZINC000859214288 639110860 /nfs/dbraw/zinc/11/08/60/639110860.db2.gz IILDFNCIACGIFK-UHFFFAOYSA-N 2 1 292.467 3.385 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931311538 639133170 /nfs/dbraw/zinc/13/31/70/639133170.db2.gz RHUUJRJDSNMQBJ-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931311538 639133174 /nfs/dbraw/zinc/13/31/74/639133174.db2.gz RHUUJRJDSNMQBJ-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931311538 639133180 /nfs/dbraw/zinc/13/31/80/639133180.db2.gz RHUUJRJDSNMQBJ-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931311538 639133182 /nfs/dbraw/zinc/13/31/82/639133182.db2.gz RHUUJRJDSNMQBJ-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP Nc1ccnc2c1C[N@H+](CC/C=C\c1ccccc1)CC2 ZINC000931515274 639163363 /nfs/dbraw/zinc/16/33/63/639163363.db2.gz CUTDCZOGSKMHHJ-YWEYNIOJSA-N 2 1 279.387 3.125 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000084194272 640604817 /nfs/dbraw/zinc/60/48/17/640604817.db2.gz JCRNZZSUALDYRF-SFHVURJKSA-N 2 1 272.436 3.038 20 0 CGADMP c1csc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246538475 640681285 /nfs/dbraw/zinc/68/12/85/640681285.db2.gz JSMRROUFYFVYNK-WMLDXEAASA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246538475 640681290 /nfs/dbraw/zinc/68/12/90/640681290.db2.gz JSMRROUFYFVYNK-WMLDXEAASA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246538475 640681295 /nfs/dbraw/zinc/68/12/95/640681295.db2.gz JSMRROUFYFVYNK-WMLDXEAASA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246538475 640681299 /nfs/dbraw/zinc/68/12/99/640681299.db2.gz JSMRROUFYFVYNK-WMLDXEAASA-N 2 1 290.476 3.239 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000250537481 640813815 /nfs/dbraw/zinc/81/38/15/640813815.db2.gz ZLNQVYMZLBMNPJ-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])Nc1ccccc1 ZINC000303253536 640830035 /nfs/dbraw/zinc/83/00/35/640830035.db2.gz CYYFLULRKNBXKC-OAHLLOKOSA-N 2 1 288.439 3.277 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252779625 640863715 /nfs/dbraw/zinc/86/37/15/640863715.db2.gz PZQGKBNPMGTSAM-QJPTWQEYSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000253194073 640874584 /nfs/dbraw/zinc/87/45/84/640874584.db2.gz PLJLVXJMNZKTNV-WCQYABFASA-N 2 1 286.341 3.122 20 0 CGADMP CCC[C@@H](CC)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257252148 807071064 /nfs/dbraw/zinc/07/10/64/807071064.db2.gz ACJNGJHVZQIIGG-BZUAXINKSA-N 2 1 282.472 3.316 20 0 CGADMP CN(CC[N@@H+](C)Cc1ccccc1)c1[nH+]ccc2[nH]ccc21 ZINC001157552045 805832240 /nfs/dbraw/zinc/83/22/40/805832240.db2.gz ZDEKFJWFVWKJQQ-UHFFFAOYSA-N 2 1 294.402 3.131 20 0 CGADMP CCC[C@@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257320811 807106137 /nfs/dbraw/zinc/10/61/37/807106137.db2.gz XGIUSXBMDZLRQY-CABCVRRESA-N 2 1 282.472 3.187 20 0 CGADMP Cc1[nH+]c2ccccn2c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159203406 806058493 /nfs/dbraw/zinc/05/84/93/806058493.db2.gz CCSNCILVOQTLNR-UHFFFAOYSA-N 2 1 278.359 3.032 20 0 CGADMP c1ccc2c(Nc3ccc4c(c3)CC[NH2+]C4)cc[nH+]c2c1 ZINC001159601376 806129208 /nfs/dbraw/zinc/12/92/08/806129208.db2.gz WZZVHDZJVKYQEW-UHFFFAOYSA-N 2 1 275.355 3.046 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC001253094718 806165476 /nfs/dbraw/zinc/16/54/76/806165476.db2.gz HSVGZGRCWJCUCO-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccc2c(C)cc(NCC[C@@H](C)[NH3+])[nH+]c2c1C ZINC001159778616 806171407 /nfs/dbraw/zinc/17/14/07/806171407.db2.gz NZMMQEKYZNDPKW-GFCCVEGCSA-N 2 1 257.381 3.309 20 0 CGADMP CCCCC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253533395 806238618 /nfs/dbraw/zinc/23/86/18/806238618.db2.gz QPQHDSHJPHCBKH-ROUUACIJSA-N 2 1 296.499 3.268 20 0 CGADMP CCCCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253540097 806243324 /nfs/dbraw/zinc/24/33/24/806243324.db2.gz CVNZHXPVNQHQGA-KRWDZBQOSA-N 2 1 284.488 3.124 20 0 CGADMP Cc1cc2[nH]ccc2c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC001160472756 806277753 /nfs/dbraw/zinc/27/77/53/806277753.db2.gz MMGCSVKKRIETQM-ZSOGYDGISA-N 2 1 284.407 3.299 20 0 CGADMP [NH3+]Cc1ccccc1CNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001160907861 806318369 /nfs/dbraw/zinc/31/83/69/806318369.db2.gz CRFQGZRGFUGBCN-UHFFFAOYSA-N 2 1 292.386 3.122 20 0 CGADMP CC(C)Oc1cc[nH+]c(Nc2cccc(CC[NH3+])c2)c1 ZINC001161079370 806348024 /nfs/dbraw/zinc/34/80/24/806348024.db2.gz WVPFDPZNOSHJOL-UHFFFAOYSA-N 2 1 271.364 3.114 20 0 CGADMP CCC(CC)[NH+]1CCC(Nc2[nH+]cc(C)cc2N)CC1 ZINC001161098195 806349041 /nfs/dbraw/zinc/34/90/41/806349041.db2.gz HSAUYYZUHDPKAZ-UHFFFAOYSA-N 2 1 276.428 3.037 20 0 CGADMP Cc1c(CC[NH3+])c2ccccc2n1[C@@H]1CCC[N@H+](C)CC1 ZINC001254499372 806421099 /nfs/dbraw/zinc/42/10/99/806421099.db2.gz FQMGBHBRNACAQU-OAHLLOKOSA-N 2 1 285.435 3.108 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCOc2cccc3ccccc32)CC1 ZINC001254506724 806427314 /nfs/dbraw/zinc/42/73/14/806427314.db2.gz YOXNBTMPIJCEAX-KRWDZBQOSA-N 2 1 298.430 3.293 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510774 806431130 /nfs/dbraw/zinc/43/11/30/806431130.db2.gz QKSDGEBFXMKSQH-WBVHZDCISA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CC1 ZINC001254512181 806432682 /nfs/dbraw/zinc/43/26/82/806432682.db2.gz JWUXOGMVIYUKIO-INIZCTEOSA-N 2 1 278.415 3.221 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001254513566 806434947 /nfs/dbraw/zinc/43/49/47/806434947.db2.gz ZXXLQKVVROPOBT-GOEBONIOSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001254513566 806434951 /nfs/dbraw/zinc/43/49/51/806434951.db2.gz ZXXLQKVVROPOBT-GOEBONIOSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001254515063 806435224 /nfs/dbraw/zinc/43/52/24/806435224.db2.gz RTVXZWBGYCCDKP-ABAIWWIYSA-N 2 1 280.362 3.026 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001254515063 806435227 /nfs/dbraw/zinc/43/52/27/806435227.db2.gz RTVXZWBGYCCDKP-ABAIWWIYSA-N 2 1 280.362 3.026 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254523945 806440133 /nfs/dbraw/zinc/44/01/33/806440133.db2.gz SHOOLNVOPJXEIX-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCCc1ccccc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523945 806440143 /nfs/dbraw/zinc/44/01/43/806440143.db2.gz SHOOLNVOPJXEIX-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCCc1ccccc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523945 806440148 /nfs/dbraw/zinc/44/01/48/806440148.db2.gz SHOOLNVOPJXEIX-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001254531562 806444262 /nfs/dbraw/zinc/44/42/62/806444262.db2.gz HGJXJRYESKIFGY-ROUUACIJSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001254531562 806444264 /nfs/dbraw/zinc/44/42/64/806444264.db2.gz HGJXJRYESKIFGY-ROUUACIJSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001254531562 806444268 /nfs/dbraw/zinc/44/42/68/806444268.db2.gz HGJXJRYESKIFGY-ROUUACIJSA-N 2 1 290.426 3.317 20 0 CGADMP Cc1cc[nH+]c2cc(N[C@H]3CCC[C@@H]([NH3+])C3)ccc12 ZINC001162400100 806576229 /nfs/dbraw/zinc/57/62/29/806576229.db2.gz GCFIMCCOKOAJMS-OLZOCXBDSA-N 2 1 255.365 3.225 20 0 CGADMP C[N@@H+](C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399636 806633152 /nfs/dbraw/zinc/63/31/52/806633152.db2.gz WQJFNCIJJTULQT-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+](C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399636 806633153 /nfs/dbraw/zinc/63/31/53/806633153.db2.gz WQJFNCIJJTULQT-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+](C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399636 806633156 /nfs/dbraw/zinc/63/31/56/806633156.db2.gz WQJFNCIJJTULQT-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP COc1ccc2c[nH+]c(NC3CC4(C3)CCC[NH2+]C4)cc2c1 ZINC001162982198 806689173 /nfs/dbraw/zinc/68/91/73/806689173.db2.gz SBCQWAOPFKVSIM-UHFFFAOYSA-N 2 1 297.402 3.188 20 0 CGADMP C[C@@H](CC(F)(F)F)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255643519 806690781 /nfs/dbraw/zinc/69/07/81/806690781.db2.gz QHLZOZWMRSXNBU-GVXVVHGQSA-N 2 1 278.362 3.452 20 0 CGADMP C[C@H](CC(F)(F)F)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255646310 806692852 /nfs/dbraw/zinc/69/28/52/806692852.db2.gz PLDQJXQUTMBHHE-NEPJUHHUSA-N 2 1 266.351 3.168 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CC(F)(F)F)[C@@H](C)C1 ZINC001255646660 806693465 /nfs/dbraw/zinc/69/34/65/806693465.db2.gz REGQDJXSXJPTCG-TUAOUCFPSA-N 2 1 266.351 3.036 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140922 798861152 /nfs/dbraw/zinc/86/11/52/798861152.db2.gz WBBGWWHCQJRHGE-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000037644662 798871232 /nfs/dbraw/zinc/87/12/32/798871232.db2.gz WTSONEHWRMJIHU-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644616 798871714 /nfs/dbraw/zinc/87/17/14/798871714.db2.gz FKORKZIXOQEVAN-RHSMWYFYSA-N 2 1 288.435 3.004 20 0 CGADMP CCCC1CCC([NH2+]C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000037644254 798871955 /nfs/dbraw/zinc/87/19/55/798871955.db2.gz AUBICOWGZBZSQS-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC(C[NH3+])(CCC)Nc1cc(C)[nH+]c(CC)n1 ZINC001163040491 806696506 /nfs/dbraw/zinc/69/65/06/806696506.db2.gz MVKGNMIZRQWTPH-UHFFFAOYSA-N 2 1 264.417 3.057 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1F ZINC000037997651 798883438 /nfs/dbraw/zinc/88/34/38/798883438.db2.gz WQMQEULQIQTLHA-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP Cc1ccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC001255665644 806700604 /nfs/dbraw/zinc/70/06/04/806700604.db2.gz BICKZSKHQCDGEW-GOOCMWNKSA-N 2 1 278.465 3.204 20 0 CGADMP Cc1cccc2c1C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255674337 806702487 /nfs/dbraw/zinc/70/24/87/806702487.db2.gz QCAVBXCDMDKYDB-SJPCQFCGSA-N 2 1 270.420 3.326 20 0 CGADMP Cc1cccc2c1C[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255674337 806702494 /nfs/dbraw/zinc/70/24/94/806702494.db2.gz QCAVBXCDMDKYDB-SJPCQFCGSA-N 2 1 270.420 3.326 20 0 CGADMP Cc1cccc2c1C[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255674337 806702501 /nfs/dbraw/zinc/70/25/01/806702501.db2.gz QCAVBXCDMDKYDB-SJPCQFCGSA-N 2 1 270.420 3.326 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255714276 806715107 /nfs/dbraw/zinc/71/51/07/806715107.db2.gz RMOZTUSBTXQEEF-KGLIPLIRSA-N 2 1 292.389 3.381 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001255736501 806727578 /nfs/dbraw/zinc/72/75/78/806727578.db2.gz ANCXVTQJPJBWSG-WOSRLPQWSA-N 2 1 296.455 3.236 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001255736501 806727582 /nfs/dbraw/zinc/72/75/82/806727582.db2.gz ANCXVTQJPJBWSG-WOSRLPQWSA-N 2 1 296.455 3.236 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000307492083 799215421 /nfs/dbraw/zinc/21/54/21/799215421.db2.gz GUNNYCSKZDAJPD-QAPCUYQASA-N 2 1 281.403 3.322 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001255750290 806734372 /nfs/dbraw/zinc/73/43/72/806734372.db2.gz MOWBRKYMGTUUDS-HZPDHXFCSA-N 2 1 292.492 3.407 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000378672594 799342854 /nfs/dbraw/zinc/34/28/54/799342854.db2.gz LKEYXIZHWULECE-GFCCVEGCSA-N 2 1 272.314 3.019 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000378672594 799342860 /nfs/dbraw/zinc/34/28/60/799342860.db2.gz LKEYXIZHWULECE-GFCCVEGCSA-N 2 1 272.314 3.019 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC2(CCC2)C1 ZINC000380290264 799359855 /nfs/dbraw/zinc/35/98/55/799359855.db2.gz ONILJNLMNWBXHO-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1F ZINC000384530447 799417635 /nfs/dbraw/zinc/41/76/35/799417635.db2.gz ZIANCJLNXPAMTI-AWEZNQCLSA-N 2 1 278.415 3.346 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000387361858 799445877 /nfs/dbraw/zinc/44/58/77/799445877.db2.gz KHZYMGSBVUEFGB-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP CO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000453069221 799631133 /nfs/dbraw/zinc/63/11/33/799631133.db2.gz YZRNXOVQMFHYSO-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001255867446 806774900 /nfs/dbraw/zinc/77/49/00/806774900.db2.gz BIFAEDARRDZJRN-HNNXBMFYSA-N 2 1 290.426 3.317 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001255862110 806774165 /nfs/dbraw/zinc/77/41/65/806774165.db2.gz CZRMQPSWGSIXLA-KDOFPFPSSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001255862110 806774170 /nfs/dbraw/zinc/77/41/70/806774170.db2.gz CZRMQPSWGSIXLA-KDOFPFPSSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000691954414 799789520 /nfs/dbraw/zinc/78/95/20/799789520.db2.gz SYOKXXFTDWIEBI-JTQLQIEISA-N 2 1 274.330 3.436 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000691954414 799789527 /nfs/dbraw/zinc/78/95/27/799789527.db2.gz SYOKXXFTDWIEBI-JTQLQIEISA-N 2 1 274.330 3.436 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(F)cc1 ZINC001255880182 806781313 /nfs/dbraw/zinc/78/13/13/806781313.db2.gz QPFRNZRVNCSIPO-OAHLLOKOSA-N 2 1 280.431 3.420 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)[C@@H]1CCC[NH3+] ZINC000693486432 799810026 /nfs/dbraw/zinc/81/00/26/799810026.db2.gz LOZDETDBDJSRAS-JHJVBQTASA-N 2 1 293.282 3.410 20 0 CGADMP CC[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699262544 799859768 /nfs/dbraw/zinc/85/97/68/799859768.db2.gz CSRGRFWNBRIZEX-HNSVSWJLSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)[C@H](C)C1 ZINC001255886965 806783480 /nfs/dbraw/zinc/78/34/80/806783480.db2.gz JWDUAPAZHVYJLP-ZBFHGGJFSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000700817619 799880459 /nfs/dbraw/zinc/88/04/59/799880459.db2.gz SREXCXLFQSEBIB-NWDGAFQWSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000700817619 799880468 /nfs/dbraw/zinc/88/04/68/799880468.db2.gz SREXCXLFQSEBIB-NWDGAFQWSA-N 2 1 292.370 3.016 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000700823806 799881789 /nfs/dbraw/zinc/88/17/89/799881789.db2.gz SIUOYUJEENAMEZ-RDBSUJKOSA-N 2 1 292.389 3.429 20 0 CGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCCCCC2)CC1 ZINC001255892105 806784749 /nfs/dbraw/zinc/78/47/49/806784749.db2.gz CVRXLRDTJGFZOE-GOSISDBHSA-N 2 1 294.483 3.284 20 0 CGADMP c1ccc(CN2C[C@@H]3C[N@@H+](C4CCCCCC4)C[C@@H]3C2)nc1 ZINC001255888609 806784966 /nfs/dbraw/zinc/78/49/66/806784966.db2.gz PFRMCMARJJPDET-CALCHBBNSA-N 2 1 299.462 3.168 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC001255940394 806789573 /nfs/dbraw/zinc/78/95/73/806789573.db2.gz BIMDVDDECWJGFM-GJZGRUSLSA-N 2 1 278.440 3.466 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001255944411 806790974 /nfs/dbraw/zinc/79/09/74/806790974.db2.gz WCUHAHZBHJFYNN-CQSZACIVSA-N 2 1 266.404 3.344 20 0 CGADMP C1C[N@H+]([C@H]2CCCC[NH2+]C2)C[C@H]1C1CCCCC1 ZINC000708832935 799994826 /nfs/dbraw/zinc/99/48/26/799994826.db2.gz UKESGGHZXSEAQJ-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C(C)(C)c1ccccn1 ZINC001255948573 806794143 /nfs/dbraw/zinc/79/41/43/806794143.db2.gz NKPDYIQAHMXHLD-AWEZNQCLSA-N 2 1 263.429 3.027 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc2ncoc2c1 ZINC001255950759 806795113 /nfs/dbraw/zinc/79/51/13/806795113.db2.gz KZOMVEMOAOGLHR-CYBMUJFWSA-N 2 1 275.396 3.038 20 0 CGADMP CC1(C)C[C@@H](C[N@H+](CC[NH3+])Cc2ccccc2)C(C)(C)O1 ZINC000709756585 800016623 /nfs/dbraw/zinc/01/66/23/800016623.db2.gz WGWGCWOBMSWJCN-INIZCTEOSA-N 2 1 290.451 3.041 20 0 CGADMP CC1(C)C[C@@H](C[N@@H+](CC[NH3+])Cc2ccccc2)C(C)(C)O1 ZINC000709756585 800016630 /nfs/dbraw/zinc/01/66/30/800016630.db2.gz WGWGCWOBMSWJCN-INIZCTEOSA-N 2 1 290.451 3.041 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC2(CC2)CC1 ZINC000709970044 800025256 /nfs/dbraw/zinc/02/52/56/800025256.db2.gz XDJNSBRIAZJUKN-JKSUJKDBSA-N 2 1 262.441 3.173 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc2ccccc2c1 ZINC000710837549 800040014 /nfs/dbraw/zinc/04/00/14/800040014.db2.gz RHYJXGJTGLJBII-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CCC2)CC1 ZINC001255956818 806798582 /nfs/dbraw/zinc/79/85/82/806798582.db2.gz MOLSMHIDMVHLLA-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001255963333 806799353 /nfs/dbraw/zinc/79/93/53/806799353.db2.gz FRTAOOWGMKCVMO-WMZOPIPTSA-N 2 1 289.467 3.209 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)[C@H](C)CC[NH+](CC)CC ZINC001255965079 806802385 /nfs/dbraw/zinc/80/23/85/806802385.db2.gz DKBNEHUVIKVUHB-QGZVFWFLSA-N 2 1 291.483 3.457 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000718751431 800221908 /nfs/dbraw/zinc/22/19/08/800221908.db2.gz JSOBURVLEWQEEA-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000718754290 800222019 /nfs/dbraw/zinc/22/20/19/800222019.db2.gz QVCUBMIABLEUEK-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CSC1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000720526373 800261255 /nfs/dbraw/zinc/26/12/55/800261255.db2.gz ZXAABHXAKUMPNR-UHFFFAOYSA-N 2 1 282.497 3.125 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000723675198 800336770 /nfs/dbraw/zinc/33/67/70/800336770.db2.gz RBZDFTVOZVOVTD-JTQLQIEISA-N 2 1 273.207 3.164 20 0 CGADMP COc1cccc(C[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001256164871 806839762 /nfs/dbraw/zinc/83/97/62/806839762.db2.gz OLFVAUIUSNPGFE-MRXNPFEDSA-N 2 1 290.451 3.044 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001256565488 806915985 /nfs/dbraw/zinc/91/59/85/806915985.db2.gz BPPRYIDVWRKBES-MRXNPFEDSA-N 2 1 295.515 3.090 20 0 CGADMP CC(C)(C)N1CCC([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001256565488 806915988 /nfs/dbraw/zinc/91/59/88/806915988.db2.gz BPPRYIDVWRKBES-MRXNPFEDSA-N 2 1 295.515 3.090 20 0 CGADMP CC(C)(C)N1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001256565488 806915993 /nfs/dbraw/zinc/91/59/93/806915993.db2.gz BPPRYIDVWRKBES-MRXNPFEDSA-N 2 1 295.515 3.090 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC23CCCC3)CC1 ZINC001256570070 806918919 /nfs/dbraw/zinc/91/89/19/806918919.db2.gz XDJZETSKQAAPEQ-UHFFFAOYSA-N 2 1 250.430 3.268 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256617605 806927685 /nfs/dbraw/zinc/92/76/85/806927685.db2.gz UFIKJFKVXWAGGZ-MMNRESRNSA-N 2 1 270.420 3.197 20 0 CGADMP Cc1ccc(C(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256615611 806925874 /nfs/dbraw/zinc/92/58/74/806925874.db2.gz OJTBQQIRBDRSGJ-ALOPSCKCSA-N 2 1 272.436 3.445 20 0 CGADMP CC[N@@H+](C1CCCCC1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256689156 806948907 /nfs/dbraw/zinc/94/89/07/806948907.db2.gz RDMOBCDYWCVANL-UHFFFAOYSA-N 2 1 294.483 3.284 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001116293628 802326488 /nfs/dbraw/zinc/32/64/88/802326488.db2.gz VTLBJPHHXLRZBJ-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256791432 806978256 /nfs/dbraw/zinc/97/82/56/806978256.db2.gz ZTXOAWFQKUCIPD-OPQOLIRYSA-N 2 1 288.435 3.108 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)[C@@H]2CCC[C@H]21 ZINC001117138989 802436542 /nfs/dbraw/zinc/43/65/42/802436542.db2.gz AMXJHXYOXABEHG-AEGPPILISA-N 2 1 296.817 3.442 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001117954091 802513770 /nfs/dbraw/zinc/51/37/70/802513770.db2.gz YZXLOGBOUULXJA-VIFPVBQESA-N 2 1 261.196 3.081 20 0 CGADMP CCCCCC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001120496621 802746497 /nfs/dbraw/zinc/74/64/97/802746497.db2.gz GLUCZQXXIKKDHB-CVEARBPZSA-N 2 1 284.488 3.028 20 0 CGADMP C([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CCSCC1 ZINC001256909193 807007389 /nfs/dbraw/zinc/00/73/89/807007389.db2.gz RMJDERMXJWYPGZ-OAHLLOKOSA-N 2 1 282.497 3.126 20 0 CGADMP C([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1CCSCC1 ZINC001256909193 807007392 /nfs/dbraw/zinc/00/73/92/807007392.db2.gz RMJDERMXJWYPGZ-OAHLLOKOSA-N 2 1 282.497 3.126 20 0 CGADMP CC1(C)CC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256907843 807007504 /nfs/dbraw/zinc/00/75/04/807007504.db2.gz GAUZKMDMADUNRE-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256907843 807007513 /nfs/dbraw/zinc/00/75/13/807007513.db2.gz GAUZKMDMADUNRE-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP CC1CC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895075 807000142 /nfs/dbraw/zinc/00/01/42/807000142.db2.gz QKRFKEWJPYLGQL-NRXISQOPSA-N 2 1 250.430 3.029 20 0 CGADMP CC1CC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895075 807000146 /nfs/dbraw/zinc/00/01/46/807000146.db2.gz QKRFKEWJPYLGQL-NRXISQOPSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900499 807003241 /nfs/dbraw/zinc/00/32/41/807003241.db2.gz NQOVSVPDBQCIMX-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900499 807003248 /nfs/dbraw/zinc/00/32/48/807003248.db2.gz NQOVSVPDBQCIMX-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(-c2cccc(OCC[NH+](C)C)c2)cn2cc[nH+]c12 ZINC001243749879 802982259 /nfs/dbraw/zinc/98/22/59/802982259.db2.gz WQCQTMGILUNUTL-UHFFFAOYSA-N 2 1 295.386 3.250 20 0 CGADMP C[N@H+]1CC[C@H](c2ccc(/C=C/C3CC[NH2+]CC3)cc2)C1 ZINC001243897129 803067469 /nfs/dbraw/zinc/06/74/69/803067469.db2.gz PWWRTESESPCPOP-DCKQQPRJSA-N 2 1 270.420 3.119 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208184875 813735415 /nfs/dbraw/zinc/73/54/15/813735415.db2.gz QWTMMIYITSRYOA-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP CCOc1ccc(C[N@H+](CC)CCC[NH+](C)C)c(C)c1 ZINC001138437287 803935442 /nfs/dbraw/zinc/93/54/42/803935442.db2.gz UBJCSKOERJBQDN-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)CCC[NH+](C)C)c(C)c1 ZINC001138437287 803935447 /nfs/dbraw/zinc/93/54/47/803935447.db2.gz UBJCSKOERJBQDN-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP CC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138545348 803964576 /nfs/dbraw/zinc/96/45/76/803964576.db2.gz VNYMYMNTXWAFPW-ZDUSSCGKSA-N 2 1 257.381 3.411 20 0 CGADMP CC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138545348 803964577 /nfs/dbraw/zinc/96/45/77/803964577.db2.gz VNYMYMNTXWAFPW-ZDUSSCGKSA-N 2 1 257.381 3.411 20 0 CGADMP CC(C)[C@@H](O)C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069950 804108204 /nfs/dbraw/zinc/10/82/04/804108204.db2.gz ZSQWCWGUNDEVCJ-BZSNNMDCSA-N 2 1 296.499 3.156 20 0 CGADMP Fc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246072634 804110262 /nfs/dbraw/zinc/11/02/62/804110262.db2.gz QDWPVCVCZKOTCF-ROUUACIJSA-N 2 1 298.405 3.279 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC001246073488 804111857 /nfs/dbraw/zinc/11/18/57/804111857.db2.gz ZGIQZJHIEDMEAM-GJZGRUSLSA-N 2 1 264.388 3.082 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246103216 804135900 /nfs/dbraw/zinc/13/59/00/804135900.db2.gz GNVCPYNDMJDXMP-AGIUHOORSA-N 2 1 298.833 3.388 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246108134 804140323 /nfs/dbraw/zinc/14/03/23/804140323.db2.gz FCLUEYRDFKAIRC-DLBZAZTESA-N 2 1 260.425 3.130 20 0 CGADMP Cn1ccc2c1cccc2C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001139156772 804143162 /nfs/dbraw/zinc/14/31/62/804143162.db2.gz IBGPRHKOVYGXDH-UHFFFAOYSA-N 2 1 297.446 3.239 20 0 CGADMP c1ccc2c(c1)CCC21CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246113053 804144752 /nfs/dbraw/zinc/14/47/52/804144752.db2.gz WVZUOKFBNBGOFJ-TVRKMHQQSA-N 2 1 284.447 3.155 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@@]2(F)CCCC[NH2+]C2)cc1 ZINC001246115677 804147883 /nfs/dbraw/zinc/14/78/83/804147883.db2.gz RYRRHZTZEDWBMI-MAUKXSAKSA-N 2 1 292.442 3.251 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246137155 804160172 /nfs/dbraw/zinc/16/01/72/804160172.db2.gz ZAXDCOPMKIPPRR-DLBZAZTESA-N 2 1 272.436 3.130 20 0 CGADMP C[N@H+](Cc1ccc2cc(O)ccc2c1)CC1CC[NH+](C)CC1 ZINC001139337895 804175866 /nfs/dbraw/zinc/17/58/66/804175866.db2.gz JGKWCWDGBPTSQX-UHFFFAOYSA-N 2 1 298.430 3.319 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@H]2CCCCN2)cc1 ZINC001246170777 804185412 /nfs/dbraw/zinc/18/54/12/804185412.db2.gz SVPMRIFOELIKRP-LSDHHAIUSA-N 2 1 278.465 3.207 20 0 CGADMP c1ccc(C2([NH2+][C@H]3CCCC[NH2+]C3)CCCC2)cc1 ZINC001246174846 804188821 /nfs/dbraw/zinc/18/88/21/804188821.db2.gz FMZKUJAQAKFNHR-INIZCTEOSA-N 2 1 258.409 3.188 20 0 CGADMP CCCC[C@H](CC(C)C)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246176520 804191180 /nfs/dbraw/zinc/19/11/80/804191180.db2.gz LNLGWESLZFCPSP-CABCVRRESA-N 2 1 258.425 3.273 20 0 CGADMP C([NH2+]C1CCC2(CCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC001246180699 804193316 /nfs/dbraw/zinc/19/33/16/804193316.db2.gz RDTCTHZUIQSKHD-OAHLLOKOSA-N 2 1 250.430 3.221 20 0 CGADMP CC[C@@H]1C[C@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C[C@H](CC)[NH2+]1 ZINC001246186049 804197407 /nfs/dbraw/zinc/19/74/07/804197407.db2.gz HIDSADOKKQDJER-ZSHCYNCHSA-N 3 1 295.515 3.276 20 0 CGADMP CC(C)(C)C1CCC([NH2+][C@]2(C)CCC[NH2+]C2)CC1 ZINC001246192042 804201052 /nfs/dbraw/zinc/20/10/52/804201052.db2.gz YEOFPVKLTZYQIO-ZBCRRDGASA-N 2 1 252.446 3.323 20 0 CGADMP CC[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193601 804202144 /nfs/dbraw/zinc/20/21/44/804202144.db2.gz BIKIPNVIZJWXEH-WNRNVDISSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193601 804202150 /nfs/dbraw/zinc/20/21/50/804202150.db2.gz BIKIPNVIZJWXEH-WNRNVDISSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193601 804202157 /nfs/dbraw/zinc/20/21/57/804202157.db2.gz BIKIPNVIZJWXEH-WNRNVDISSA-N 3 1 295.515 3.150 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246210169 804208669 /nfs/dbraw/zinc/20/86/69/804208669.db2.gz CJRTXZYJYJFSKA-QZTJIDSGSA-N 3 1 297.531 3.399 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC001246214854 804212227 /nfs/dbraw/zinc/21/22/27/804212227.db2.gz VNFDWTOLFAZEFT-HOSYDEDBSA-N 2 1 270.779 3.270 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)C[NH2+]1 ZINC001246258621 804242071 /nfs/dbraw/zinc/24/20/71/804242071.db2.gz LMXJICAFPFSWBN-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246265724 804246690 /nfs/dbraw/zinc/24/66/90/804246690.db2.gz NPWSJMHZYWIIRV-RISCZKNCSA-N 2 1 298.352 3.425 20 0 CGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C[Si](C)(C)C)CC[NH2+]1 ZINC001246267810 804248127 /nfs/dbraw/zinc/24/81/27/804248127.db2.gz MXOODYNQQFNRQV-GOEBONIOSA-N 2 1 294.490 3.394 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001246284689 804257841 /nfs/dbraw/zinc/25/78/41/804257841.db2.gz CLJVUHCKSADBCU-BZSNNMDCSA-N 2 1 272.436 3.445 20 0 CGADMP CC[C@H]1CC[C@H](C2CCC(N[C@@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299195 804266816 /nfs/dbraw/zinc/26/68/16/804266816.db2.gz GMFJXEKZHSTLAY-BNEJOAPWSA-N 3 1 295.515 3.375 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+]C[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246301456 804268641 /nfs/dbraw/zinc/26/86/41/804268641.db2.gz WZYNCTPNZSDFSH-RBUKOAKNSA-N 2 1 294.442 3.012 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[C@H](C)NC1)c1ccc(C)c(C)c1 ZINC001246309795 804270845 /nfs/dbraw/zinc/27/08/45/804270845.db2.gz XUMMTOWFEKCMKN-BHYGNILZSA-N 2 1 260.425 3.485 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)CC(C)(C)C1 ZINC001246325275 804282328 /nfs/dbraw/zinc/28/23/28/804282328.db2.gz JPJMCMFPURQSNB-HZSPNIEDSA-N 2 1 252.446 3.179 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246341801 804294667 /nfs/dbraw/zinc/29/46/67/804294667.db2.gz COHSPZLDBZUAOA-PBHICJAKSA-N 2 1 260.425 3.083 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358836 804303667 /nfs/dbraw/zinc/30/36/67/804303667.db2.gz GYAFGKIIKIZYBK-HYVNUMGLSA-N 2 1 260.425 3.128 20 0 CGADMP CC[C@@H]1CC([NH2+][C@H]2CNc3ccccc32)C[C@@H](CC)[NH2+]1 ZINC001246357546 804304462 /nfs/dbraw/zinc/30/44/62/804304462.db2.gz VXMYUEHDXUDRFD-XNJGSVPQSA-N 2 1 273.424 3.052 20 0 CGADMP Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246373366 804310461 /nfs/dbraw/zinc/31/04/61/804310461.db2.gz QPLBDEUWKOWLSV-GDBMZVCRSA-N 2 1 260.425 3.046 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC001246383982 804316784 /nfs/dbraw/zinc/31/67/84/804316784.db2.gz NBUIAASIPGIXSW-UKRRQHHQSA-N 2 1 292.854 3.393 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2F)C[NH2+]1 ZINC001246429997 804330618 /nfs/dbraw/zinc/33/06/18/804330618.db2.gz CUWSECAIXRHFIS-HIFRSBDPSA-N 2 1 278.415 3.125 20 0 CGADMP CC(C)P(CC[NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC001246470863 804347025 /nfs/dbraw/zinc/34/70/25/804347025.db2.gz SDSURVBKKKWMSG-ZIAGYGMSSA-N 2 1 258.390 3.015 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CC1CC1 ZINC001140022489 804355803 /nfs/dbraw/zinc/35/58/03/804355803.db2.gz HPHPAQXCGLRSGA-UHFFFAOYSA-N 2 1 255.365 3.023 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CC1CC1 ZINC001140022489 804355812 /nfs/dbraw/zinc/35/58/12/804355812.db2.gz HPHPAQXCGLRSGA-UHFFFAOYSA-N 2 1 255.365 3.023 20 0 CGADMP C[C@H]1CC([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)C[C@H](C)C1 ZINC001246488381 804358044 /nfs/dbraw/zinc/35/80/44/804358044.db2.gz NJGATFKWWJRYAY-JHJVBQTASA-N 2 1 274.399 3.036 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246494826 804360494 /nfs/dbraw/zinc/36/04/94/804360494.db2.gz LOJKXVAPIDGXOP-OWLDWWDNSA-N 2 1 299.245 3.264 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246517642 804372661 /nfs/dbraw/zinc/37/26/61/804372661.db2.gz ALFQBXGWWXKOQL-SJORKVTESA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246519365 804373989 /nfs/dbraw/zinc/37/39/89/804373989.db2.gz MLYMZKLOKHOIOC-MRXNPFEDSA-N 2 1 260.425 3.429 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246519365 804373997 /nfs/dbraw/zinc/37/39/97/804373997.db2.gz MLYMZKLOKHOIOC-MRXNPFEDSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246521183 804376205 /nfs/dbraw/zinc/37/62/05/804376205.db2.gz XSIWXJVVOGZUNN-XGUBFFRZSA-N 2 1 252.446 3.416 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246523148 804378330 /nfs/dbraw/zinc/37/83/30/804378330.db2.gz WUHFZWYQVLKVKU-IAGOWNOFSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246530553 804381954 /nfs/dbraw/zinc/38/19/54/804381954.db2.gz ZAYJCBLJORXSDJ-HOTGVXAUSA-N 2 1 264.388 3.034 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246531160 804383607 /nfs/dbraw/zinc/38/36/07/804383607.db2.gz NKMNSGBKACLLMW-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246538338 804388553 /nfs/dbraw/zinc/38/85/53/804388553.db2.gz BOBHYYGEAUQOFU-GUYCJALGSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246540663 804390124 /nfs/dbraw/zinc/39/01/24/804390124.db2.gz BWTKKHRQJAKGRH-ZBFHGGJFSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)C[C@H]1C[NH3+] ZINC001246543106 804390217 /nfs/dbraw/zinc/39/02/17/804390217.db2.gz TWOCXGASIKQGJX-DZJNRPSUSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C[C@H]1C[NH3+] ZINC001246543109 804391730 /nfs/dbraw/zinc/39/17/30/804391730.db2.gz TWOCXGASIKQGJX-HPBDAGMYSA-N 2 1 272.436 3.239 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001246545054 804393566 /nfs/dbraw/zinc/39/35/66/804393566.db2.gz WSMLEPXNZYFXEJ-WBVHZDCISA-N 2 1 260.425 3.129 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246544409 804394464 /nfs/dbraw/zinc/39/44/64/804394464.db2.gz VRWAXBWVLIHOKW-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246544409 804394472 /nfs/dbraw/zinc/39/44/72/804394472.db2.gz VRWAXBWVLIHOKW-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)CSc2ccc(C)cc2)C1 ZINC001246546639 804395479 /nfs/dbraw/zinc/39/54/79/804395479.db2.gz DKABQNUZWGOKEX-JKSUJKDBSA-N 2 1 292.492 3.407 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246549465 804397532 /nfs/dbraw/zinc/39/75/32/804397532.db2.gz GZOBAWZNZUXYFS-IPYPFGDCSA-N 2 1 280.843 3.188 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+][C@@H](C(C)C)C1)C2 ZINC001246549516 804399649 /nfs/dbraw/zinc/39/96/49/804399649.db2.gz SJQWNVVMZAFKSM-SJLPKXTDSA-N 2 1 272.436 3.130 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001246551263 804400382 /nfs/dbraw/zinc/40/03/82/804400382.db2.gz LRXVSHICJWPZSU-VKJFTORMSA-N 2 1 274.452 3.097 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)CSc2ccc(F)cc2)C1 ZINC001246550629 804400719 /nfs/dbraw/zinc/40/07/19/804400719.db2.gz OBXKHSNCKMNBMD-ZIAGYGMSSA-N 2 1 296.455 3.238 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552189 804402928 /nfs/dbraw/zinc/40/29/28/804402928.db2.gz SWDHZNGKAVCEQQ-DLBZAZTESA-N 2 1 278.415 3.161 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](F)CC2)C[C@H](CC)[NH2+]1 ZINC001246561574 804409630 /nfs/dbraw/zinc/40/96/30/804409630.db2.gz WJXGBYHECFERCG-KBXIAJHMSA-N 2 1 256.409 3.120 20 0 CGADMP CCC1CCC([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC1 ZINC001246562629 804411264 /nfs/dbraw/zinc/41/12/64/804411264.db2.gz VWBLNDKKMHBZFF-CIDNJEQPSA-N 2 1 252.446 3.262 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246563256 804412228 /nfs/dbraw/zinc/41/22/28/804412228.db2.gz CKINNHWLFUJBJD-RYQLBKOJSA-N 2 1 274.452 3.315 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CC1 ZINC001246563024 804412606 /nfs/dbraw/zinc/41/26/06/804412606.db2.gz ISDKGSUUNORDPI-JWMHWRSXSA-N 2 1 252.446 3.260 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246570770 804416857 /nfs/dbraw/zinc/41/68/57/804416857.db2.gz VLOJZKTVQMLJCX-JYJNAYRXSA-N 2 1 252.446 3.428 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1C ZINC001246568786 804417828 /nfs/dbraw/zinc/41/78/28/804417828.db2.gz BHOBLQGBAAAHEM-NUWOQIAWSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@](C)(C[NH3+])CC1)C2 ZINC001246573958 804420445 /nfs/dbraw/zinc/42/04/45/804420445.db2.gz GZXZCBZOMRPTHH-MJGOQNOKSA-N 2 1 286.463 3.303 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246574199 804420842 /nfs/dbraw/zinc/42/08/42/804420842.db2.gz FHEFEFRNUYWZLV-HUUCEWRRSA-N 2 1 258.425 3.498 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246574199 804420844 /nfs/dbraw/zinc/42/08/44/804420844.db2.gz FHEFEFRNUYWZLV-HUUCEWRRSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1C ZINC001246573681 804421069 /nfs/dbraw/zinc/42/10/69/804421069.db2.gz LQBICPDKUVQTJF-TWMKSMIVSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246575119 804422656 /nfs/dbraw/zinc/42/26/56/804422656.db2.gz VPGMHAGHNJTALX-OLZOCXBDSA-N 2 1 298.883 3.362 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246575119 804422662 /nfs/dbraw/zinc/42/26/62/804422662.db2.gz VPGMHAGHNJTALX-OLZOCXBDSA-N 2 1 298.883 3.362 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584827 804427493 /nfs/dbraw/zinc/42/74/93/804427493.db2.gz VBPUUXDCGBMXIQ-KBAYOESNSA-N 2 1 272.436 3.384 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)CC2)C[C@H](CC)[NH2+]1 ZINC001246584430 804428078 /nfs/dbraw/zinc/42/80/78/804428078.db2.gz AMHHWUKPUXPYBD-WCVJEAGWSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246589749 804431227 /nfs/dbraw/zinc/43/12/27/804431227.db2.gz FMKFCMJPKPWYPB-QAPCUYQASA-N 2 1 290.426 3.134 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@@H](C)CC2)C[C@@H](CC)[NH2+]1 ZINC001246588770 804432242 /nfs/dbraw/zinc/43/22/42/804432242.db2.gz AMHHWUKPUXPYBD-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C1 ZINC001246603641 804439955 /nfs/dbraw/zinc/43/99/55/804439955.db2.gz FKAZDYOQWJLIGQ-BZUAXINKSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)CC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246602834 804440065 /nfs/dbraw/zinc/44/00/65/804440065.db2.gz CVLBGMICSZJZQA-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246602051 804440571 /nfs/dbraw/zinc/44/05/71/804440571.db2.gz BUYKVSDVNNHPLH-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246603817 804440802 /nfs/dbraw/zinc/44/08/02/804440802.db2.gz MNZFWDZIZQJORZ-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246609622 804443762 /nfs/dbraw/zinc/44/37/62/804443762.db2.gz ZVDLGLDTKQVYIB-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246616060 804450188 /nfs/dbraw/zinc/45/01/88/804450188.db2.gz WYZHCYUATPDRKM-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246618367 804451689 /nfs/dbraw/zinc/45/16/89/804451689.db2.gz KHFPSWZBOKUIND-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246618367 804451695 /nfs/dbraw/zinc/45/16/95/804451695.db2.gz KHFPSWZBOKUIND-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246617917 804451881 /nfs/dbraw/zinc/45/18/81/804451881.db2.gz DTOYDADNKDHXGK-WBVHZDCISA-N 2 1 272.436 3.254 20 0 CGADMP CC[C@@H](CC(C)C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620267 804454111 /nfs/dbraw/zinc/45/41/11/804454111.db2.gz QQOYQVFCJNQTKM-SZMVWBNQSA-N 2 1 272.436 3.382 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620267 804454112 /nfs/dbraw/zinc/45/41/12/804454112.db2.gz QQOYQVFCJNQTKM-SZMVWBNQSA-N 2 1 272.436 3.382 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246624598 804456715 /nfs/dbraw/zinc/45/67/15/804456715.db2.gz VLXQYCOPOUWNNA-SJORKVTESA-N 2 1 282.472 3.190 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246624598 804456721 /nfs/dbraw/zinc/45/67/21/804456721.db2.gz VLXQYCOPOUWNNA-SJORKVTESA-N 2 1 282.472 3.190 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CC[C@]3(C1)CCCC[NH2+]3)CC2 ZINC001246625724 804456996 /nfs/dbraw/zinc/45/69/96/804456996.db2.gz UFJQAOFBVBSTRO-IBGZPJMESA-N 2 1 284.447 3.152 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246624987 804457395 /nfs/dbraw/zinc/45/73/95/804457395.db2.gz DXJUGLKERGKESP-BZSNNMDCSA-N 2 1 272.436 3.224 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246624987 804457397 /nfs/dbraw/zinc/45/73/97/804457397.db2.gz DXJUGLKERGKESP-BZSNNMDCSA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627365 804458412 /nfs/dbraw/zinc/45/84/12/804458412.db2.gz JGNYTIZAEUCLMC-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246628361 804458434 /nfs/dbraw/zinc/45/84/34/804458434.db2.gz XKWDVTJPIYAFAR-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246628862 804460772 /nfs/dbraw/zinc/46/07/72/804460772.db2.gz FBRRQRBWYWWZLK-ARFHVFGLSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246632046 804462620 /nfs/dbraw/zinc/46/26/20/804462620.db2.gz UEAXIDDMZDIGHJ-HKUYNNGSSA-N 2 1 286.463 3.392 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631849 804462945 /nfs/dbraw/zinc/46/29/45/804462945.db2.gz SVQJURSGHIVGQF-MLGOLLRUSA-N 2 1 296.817 3.096 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631849 804462948 /nfs/dbraw/zinc/46/29/48/804462948.db2.gz SVQJURSGHIVGQF-MLGOLLRUSA-N 2 1 296.817 3.096 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246634237 804463874 /nfs/dbraw/zinc/46/38/74/804463874.db2.gz AXEAIOXCRRZVKS-KURKYZTESA-N 2 1 296.499 3.029 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633939 804463899 /nfs/dbraw/zinc/46/38/99/804463899.db2.gz FRDGSICGLDTGSO-YHUYYLMFSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633939 804463901 /nfs/dbraw/zinc/46/39/01/804463901.db2.gz FRDGSICGLDTGSO-YHUYYLMFSA-N 2 1 252.446 3.131 20 0 CGADMP C1CCC2(C1)CCC([N@@H+]1CC[C@@H]3CC[NH2+][C@@H]3C1)CC2 ZINC001246636130 804465552 /nfs/dbraw/zinc/46/55/52/804465552.db2.gz LEOJNQAIRUCIPS-GOEBONIOSA-N 2 1 262.441 3.173 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1CC[C@@H]3CC[NH2+][C@@H]3C1)CC2 ZINC001246636130 804465557 /nfs/dbraw/zinc/46/55/57/804465557.db2.gz LEOJNQAIRUCIPS-GOEBONIOSA-N 2 1 262.441 3.173 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246638514 804467295 /nfs/dbraw/zinc/46/72/95/804467295.db2.gz SSLJPRQLMDOFCG-VMBOVVBDSA-N 2 1 264.457 3.419 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246638514 804467300 /nfs/dbraw/zinc/46/73/00/804467300.db2.gz SSLJPRQLMDOFCG-VMBOVVBDSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640110 804467402 /nfs/dbraw/zinc/46/74/02/804467402.db2.gz BEKVOECWZOFBQY-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246640565 804467586 /nfs/dbraw/zinc/46/75/86/804467586.db2.gz VMJBSCPLIOOFII-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc2c(c1)CCC21CC[NH+]([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246643919 804470953 /nfs/dbraw/zinc/47/09/53/804470953.db2.gz HYNULWDKCUTFCW-QGZVFWFLSA-N 2 1 284.447 3.109 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246645277 804472127 /nfs/dbraw/zinc/47/21/27/804472127.db2.gz UTIUPJPHHFAMTQ-GDBMZVCRSA-N 2 1 250.430 3.173 20 0 CGADMP c1ccc2c(c1)CC([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C2 ZINC001246644085 804472502 /nfs/dbraw/zinc/47/25/02/804472502.db2.gz JFMCZNMSDGTTLF-LJQANCHMSA-N 2 1 284.447 3.008 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2C1CCC(Cc2ccccc2)CC1 ZINC001246647663 804475963 /nfs/dbraw/zinc/47/59/63/804475963.db2.gz URLRWPDPJJBOMK-UHFFFAOYSA-N 2 1 284.447 3.211 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001246654740 804480911 /nfs/dbraw/zinc/48/09/11/804480911.db2.gz NNDUSUDOUMGLDD-MRXNPFEDSA-N 2 1 272.436 3.144 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246658458 804482230 /nfs/dbraw/zinc/48/22/30/804482230.db2.gz KPVLJOZDRGHUBT-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246658458 804482232 /nfs/dbraw/zinc/48/22/32/804482232.db2.gz KPVLJOZDRGHUBT-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246663506 804486275 /nfs/dbraw/zinc/48/62/75/804486275.db2.gz VNWDSXGNALUEMP-GUDVDZBRSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001246667784 804487910 /nfs/dbraw/zinc/48/79/10/804487910.db2.gz VMATZIGELKHTJF-CLKYRPBMSA-N 2 1 264.457 3.405 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001246668213 804488621 /nfs/dbraw/zinc/48/86/21/804488621.db2.gz XEWRIFXKNDYZSR-RHSMWYFYSA-N 2 1 262.441 3.303 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001246677926 804492836 /nfs/dbraw/zinc/49/28/36/804492836.db2.gz KZVLXYYXBWHNBC-GJZGRUSLSA-N 2 1 290.476 3.017 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1 ZINC001246681861 804494641 /nfs/dbraw/zinc/49/46/41/804494641.db2.gz JYIIWNJTSCLITO-NXWXRZEISA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+](C)CCC[NH3+] ZINC001246680444 804494846 /nfs/dbraw/zinc/49/48/46/804494846.db2.gz ISWCMOADZHOMLL-ZDUSSCGKSA-N 2 1 284.469 3.351 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246683077 804495377 /nfs/dbraw/zinc/49/53/77/804495377.db2.gz YXHUPTNNXLTMLC-GFCCVEGCSA-N 2 1 298.833 3.342 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001246690384 804496871 /nfs/dbraw/zinc/49/68/71/804496871.db2.gz KLEPRGPRGAVYRH-BHUNQDJPSA-N 2 1 282.447 3.225 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001246689304 804496960 /nfs/dbraw/zinc/49/69/60/804496960.db2.gz IKUVAGMUBTUWQL-JONQDZQNSA-N 2 1 284.463 3.456 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246690682 804497906 /nfs/dbraw/zinc/49/79/06/804497906.db2.gz LAMLVAJBUILSBS-IAGOWNOFSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246770291 804502776 /nfs/dbraw/zinc/50/27/76/804502776.db2.gz PTBDYMPSGDGFNZ-KRWDZBQOSA-N 2 1 272.436 3.349 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246779397 804506896 /nfs/dbraw/zinc/50/68/96/804506896.db2.gz GAUQIAMULMJFNI-FVQHAEBGSA-N 2 1 290.451 3.306 20 0 CGADMP C[N@@H+](Cc1cccs1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246784166 804510493 /nfs/dbraw/zinc/51/04/93/804510493.db2.gz TXFWQAXSYFLGQN-UHFFFAOYSA-N 2 1 278.465 3.492 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CCOc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246786304 804511322 /nfs/dbraw/zinc/51/13/22/804511322.db2.gz NLBGSVRAJNGNKE-FVQHAEBGSA-N 2 1 288.435 3.190 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCOc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246786304 804511328 /nfs/dbraw/zinc/51/13/28/804511328.db2.gz NLBGSVRAJNGNKE-FVQHAEBGSA-N 2 1 288.435 3.190 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246787031 804511961 /nfs/dbraw/zinc/51/19/61/804511961.db2.gz PHQDOJAKBBCDIU-RDJZCZTQSA-N 2 1 288.435 3.060 20 0 CGADMP CC[C@H]1CC([N@@H+](CC2CC2)C(C)C)C[C@H](CC)[NH2+]1 ZINC001246788646 804513082 /nfs/dbraw/zinc/51/30/82/804513082.db2.gz HQGLGZPXVRACQQ-GJZGRUSLSA-N 2 1 252.446 3.416 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246789673 804513380 /nfs/dbraw/zinc/51/33/80/804513380.db2.gz FAUJSJMWIMWBAG-QZTJIDSGSA-N 2 1 284.447 3.398 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001246788595 804513485 /nfs/dbraw/zinc/51/34/85/804513485.db2.gz UMVGNMVJFKUFFU-HTWSVDAQSA-N 2 1 288.435 3.060 20 0 CGADMP FC(F)(F)c1cccc([C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246795834 804517775 /nfs/dbraw/zinc/51/77/75/804517775.db2.gz KLKOIGVLKMZKLM-CYBMUJFWSA-N 2 1 298.352 3.247 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC001246800724 804521594 /nfs/dbraw/zinc/52/15/94/804521594.db2.gz GICTXJDHGCFUEN-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1c[nH]c2ccncc12 ZINC001140807389 804524330 /nfs/dbraw/zinc/52/43/30/804524330.db2.gz XTCBGARBLSJYDC-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP C[N@H+](CCc1ccc(F)cc1)Cc1cnc2cc[nH]cc1-2 ZINC001140807389 804524332 /nfs/dbraw/zinc/52/43/32/804524332.db2.gz XTCBGARBLSJYDC-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP C[N@H+](CCc1ccc(F)cc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807389 804524339 /nfs/dbraw/zinc/52/43/39/804524339.db2.gz XTCBGARBLSJYDC-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807389 804524343 /nfs/dbraw/zinc/52/43/43/804524343.db2.gz XTCBGARBLSJYDC-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP COC(C)(C)[C@H]1CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246808876 804526958 /nfs/dbraw/zinc/52/69/58/804526958.db2.gz DQGFHXNHXVBXLA-UPTPFMHGSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H](C)C1 ZINC001246810555 804527486 /nfs/dbraw/zinc/52/74/86/804527486.db2.gz NWJXLQAGNKPXTO-ZAWLATJESA-N 2 1 286.463 3.470 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001246811958 804528293 /nfs/dbraw/zinc/52/82/93/804528293.db2.gz AYAWNKOGCOVZOK-QGZVFWFLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246813932 804530740 /nfs/dbraw/zinc/53/07/40/804530740.db2.gz MTCUPWDHZBKFAX-OALUTQOASA-N 2 1 286.463 3.392 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246814423 804530789 /nfs/dbraw/zinc/53/07/89/804530789.db2.gz PBUIHIOIZCTRON-ZWKOTPCHSA-N 2 1 274.452 3.246 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246815680 804531493 /nfs/dbraw/zinc/53/14/93/804531493.db2.gz ZZJOUWBSTIJIEB-BPQIPLTHSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246815026 804532172 /nfs/dbraw/zinc/53/21/72/804532172.db2.gz UHPQMURGYDTHNO-SFHVURJKSA-N 2 1 286.463 3.392 20 0 CGADMP c1ccc2c(c1)CCC[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246817234 804534305 /nfs/dbraw/zinc/53/43/05/804534305.db2.gz OSJTZEUNPNHIHM-OALUTQOASA-N 2 1 284.447 3.357 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246824701 804537077 /nfs/dbraw/zinc/53/70/77/804537077.db2.gz RFFSHYXLBGMOKA-MUJYYYPQSA-N 2 1 292.854 3.487 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246827388 804539300 /nfs/dbraw/zinc/53/93/00/804539300.db2.gz KUIMLWHUJBBEHE-BCDXTJNWSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246827388 804539303 /nfs/dbraw/zinc/53/93/03/804539303.db2.gz KUIMLWHUJBBEHE-BCDXTJNWSA-N 2 1 290.426 3.493 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246841882 804549751 /nfs/dbraw/zinc/54/97/51/804549751.db2.gz PHHVPFNXLFLUDB-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246844854 804554020 /nfs/dbraw/zinc/55/40/20/804554020.db2.gz HCPVJVLMSMVJEN-OKZBNKHCSA-N 2 1 286.463 3.328 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246844860 804554204 /nfs/dbraw/zinc/55/42/04/804554204.db2.gz HCPVJVLMSMVJEN-RCCFBDPRSA-N 2 1 286.463 3.328 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001246845984 804554723 /nfs/dbraw/zinc/55/47/23/804554723.db2.gz OFWCXKDZZJSMMV-DOTOQJQBSA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246846853 804556705 /nfs/dbraw/zinc/55/67/05/804556705.db2.gz QSDMXNDLSCVHDV-RDJZCZTQSA-N 2 1 278.415 3.424 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246846853 804556712 /nfs/dbraw/zinc/55/67/12/804556712.db2.gz QSDMXNDLSCVHDV-RDJZCZTQSA-N 2 1 278.415 3.424 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246847555 804556953 /nfs/dbraw/zinc/55/69/53/804556953.db2.gz UGAULSTWRBFHLU-AWEZNQCLSA-N 2 1 264.388 3.178 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246847555 804556957 /nfs/dbraw/zinc/55/69/57/804556957.db2.gz UGAULSTWRBFHLU-AWEZNQCLSA-N 2 1 264.388 3.178 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246848661 804557594 /nfs/dbraw/zinc/55/75/94/804557594.db2.gz YFWAIIZXQVUPQM-MSOLQXFVSA-N 2 1 272.436 3.398 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001246852265 804562561 /nfs/dbraw/zinc/56/25/61/804562561.db2.gz IFNVEOQIBVTCFL-VLOYRQLPSA-N 2 1 284.447 3.211 20 0 CGADMP CCC(CC)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246861371 804565784 /nfs/dbraw/zinc/56/57/84/804565784.db2.gz PCDNRPKRUWNLDU-UHFFFAOYSA-N 2 1 272.436 3.312 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246862477 804567394 /nfs/dbraw/zinc/56/73/94/804567394.db2.gz ICIBGRWLVIAQBI-PPDQVPDSSA-N 2 1 298.474 3.355 20 0 CGADMP C1C[C@H](C2CCCCC2)[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246866407 804569148 /nfs/dbraw/zinc/56/91/48/804569148.db2.gz TZMDVNRTKQDXES-LTIDMASMSA-N 2 1 262.441 3.314 20 0 CGADMP CCC[C@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246872228 804572717 /nfs/dbraw/zinc/57/27/17/804572717.db2.gz GGCNIRJCNKKMNQ-SQNIBIBYSA-N 2 1 272.436 3.038 20 0 CGADMP CC1(C)C[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246871396 804573203 /nfs/dbraw/zinc/57/32/03/804573203.db2.gz RPIPWKPILNUYTP-MRXNPFEDSA-N 2 1 284.447 3.455 20 0 CGADMP CC[C@H]1CC([N@@H+]2CCc3cc(F)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246877293 804574488 /nfs/dbraw/zinc/57/44/88/804574488.db2.gz BLJFWZWIOKVOGU-IRXDYDNUSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@H]1CC([N@H+]2CCc3cc(F)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246877293 804574491 /nfs/dbraw/zinc/57/44/91/804574491.db2.gz BLJFWZWIOKVOGU-IRXDYDNUSA-N 2 1 290.426 3.493 20 0 CGADMP Cc1ccncc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001141035404 804575112 /nfs/dbraw/zinc/57/51/12/804575112.db2.gz BVSJPRXZLWFDCU-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1ccncc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001141035404 804575116 /nfs/dbraw/zinc/57/51/16/804575116.db2.gz BVSJPRXZLWFDCU-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3C[C@@H]2C)CC[NH2+]1 ZINC001246875292 804575211 /nfs/dbraw/zinc/57/52/11/804575211.db2.gz ZWJKQDQGDKMKLV-WBAXXEDZSA-N 2 1 272.436 3.210 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H](C)CC23CC3)CC[NH2+]1 ZINC001246892747 804583759 /nfs/dbraw/zinc/58/37/59/804583759.db2.gz IRCWATGDAWXRSQ-KFWWJZLASA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246899755 804586583 /nfs/dbraw/zinc/58/65/83/804586583.db2.gz FZHOBFRGJUDMPY-OAHLLOKOSA-N 2 1 278.827 3.304 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]3C[C@@H]32)CC[NH2+]1 ZINC001246908054 804593715 /nfs/dbraw/zinc/59/37/15/804593715.db2.gz WZSAXWPAJNBYTB-WCZJQEMASA-N 2 1 288.410 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@@H]3C[C@@H]32)CC[NH2+]1 ZINC001246908054 804593719 /nfs/dbraw/zinc/59/37/19/804593719.db2.gz WZSAXWPAJNBYTB-WCZJQEMASA-N 2 1 288.410 3.412 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)CCc2cccc(F)c2)CC[NH2+]1 ZINC001246911143 804594524 /nfs/dbraw/zinc/59/45/24/804594524.db2.gz OBVBEQVHTRNUBW-IRXDYDNUSA-N 2 1 278.415 3.077 20 0 CGADMP CCC[N@@H+](CC(C)C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246911881 804595057 /nfs/dbraw/zinc/59/50/57/804595057.db2.gz PKOXKVWUOZYEOH-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246912625 804597479 /nfs/dbraw/zinc/59/74/79/804597479.db2.gz ZNEKKKRLSDKQJN-RYUDHWBXSA-N 2 1 296.867 3.180 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246915500 804599008 /nfs/dbraw/zinc/59/90/08/804599008.db2.gz FZUWCCSBVIRYIG-JCYILVPMSA-N 2 1 292.854 3.270 20 0 CGADMP CCCC1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246929390 804605846 /nfs/dbraw/zinc/60/58/46/804605846.db2.gz FZMLWDYZLUTARY-HPZPOOBXSA-N 2 1 264.457 3.277 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC001246932319 804607744 /nfs/dbraw/zinc/60/77/44/804607744.db2.gz ZWICABBBNYUFRW-DJIMGWMZSA-N 2 1 288.435 3.015 20 0 CGADMP CCC[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246935615 804608997 /nfs/dbraw/zinc/60/89/97/804608997.db2.gz GPHMWAJSLBZXRL-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001246938548 804610565 /nfs/dbraw/zinc/61/05/65/804610565.db2.gz NGQSKAPDCCAOSI-QPIRBTGLSA-N 2 1 298.474 3.497 20 0 CGADMP C1CC2(C1)CCC[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246938725 804610974 /nfs/dbraw/zinc/61/09/74/804610974.db2.gz FVYSNVPHWGASCI-HNNXBMFYSA-N 2 1 262.441 3.175 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@@H]2CCC[NH2+]C2)c1 ZINC001246943064 804612859 /nfs/dbraw/zinc/61/28/59/804612859.db2.gz JJUKZBAMUFCPAZ-SJORKVTESA-N 2 1 258.409 3.192 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]C2)c1 ZINC001246943064 804612864 /nfs/dbraw/zinc/61/28/64/804612864.db2.gz JJUKZBAMUFCPAZ-SJORKVTESA-N 2 1 258.409 3.192 20 0 CGADMP C[N@@H+]([C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246948381 804614708 /nfs/dbraw/zinc/61/47/08/804614708.db2.gz PRINSGGJLPHSPX-WCVJEAGWSA-N 2 1 262.441 3.029 20 0 CGADMP Fc1ccc(C[N@H+](C2CCCC2)C2CC[NH2+]CC2)c(F)c1 ZINC001246953443 804618107 /nfs/dbraw/zinc/61/81/07/804618107.db2.gz CBGKTZDYHFPAQJ-UHFFFAOYSA-N 2 1 294.389 3.461 20 0 CGADMP Fc1ccc(C[N@@H+](C2CCCC2)C2CC[NH2+]CC2)c(F)c1 ZINC001246953443 804618109 /nfs/dbraw/zinc/61/81/09/804618109.db2.gz CBGKTZDYHFPAQJ-UHFFFAOYSA-N 2 1 294.389 3.461 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246973859 804623933 /nfs/dbraw/zinc/62/39/33/804623933.db2.gz IWESNORHGBEOTM-MANSERQUSA-N 2 1 286.463 3.313 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246973404 804624250 /nfs/dbraw/zinc/62/42/50/804624250.db2.gz HOUFLKZFWQCJSS-ZSYWTGECSA-N 2 1 286.463 3.457 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246975058 804624257 /nfs/dbraw/zinc/62/42/57/804624257.db2.gz RZBMJXPNKDRFQV-OXJNMPFZSA-N 2 1 298.474 3.316 20 0 CGADMP C[C@H]1CCC[C@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)C1 ZINC001246979246 804625551 /nfs/dbraw/zinc/62/55/51/804625551.db2.gz XZQIKDPPBVPHPN-BBRMVZONSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC001246977999 804625720 /nfs/dbraw/zinc/62/57/20/804625720.db2.gz GTQXCROGIQCHIM-YTQUADARSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CC(C)(C)SC ZINC001246977660 804626121 /nfs/dbraw/zinc/62/61/21/804626121.db2.gz SUNBTTPHFGLMQJ-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001246981796 804626892 /nfs/dbraw/zinc/62/68/92/804626892.db2.gz XUUUYHBFYCEBGZ-SJLPKXTDSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246991372 804631992 /nfs/dbraw/zinc/63/19/92/804631992.db2.gz XCMWQZSRYWPNGC-DLBZAZTESA-N 2 1 297.531 3.063 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246991372 804631995 /nfs/dbraw/zinc/63/19/95/804631995.db2.gz XCMWQZSRYWPNGC-DLBZAZTESA-N 2 1 297.531 3.063 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccc(C)cc2C1 ZINC001246997658 804633163 /nfs/dbraw/zinc/63/31/63/804633163.db2.gz WZSNPDGLIYNABR-QFBILLFUSA-N 2 1 286.463 3.174 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)cc(F)c1 ZINC001143619445 804879951 /nfs/dbraw/zinc/87/99/51/804879951.db2.gz QGLBTYYXSNYSLI-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(F)c1 ZINC001143619445 804879956 /nfs/dbraw/zinc/87/99/56/804879956.db2.gz QGLBTYYXSNYSLI-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)CCC[NH+]3CCCC3)cccc2n1 ZINC001248566196 804954294 /nfs/dbraw/zinc/95/42/94/804954294.db2.gz ZCEASMPTUYZLKU-UHFFFAOYSA-N 2 1 297.446 3.461 20 0 CGADMP Cc1cc(Nc2c[nH+]ccc2N2CCCCC2)c[nH+]c1N ZINC001249786608 805245217 /nfs/dbraw/zinc/24/52/17/805245217.db2.gz XIUOVHQDLDVIMP-UHFFFAOYSA-N 2 1 283.379 3.101 20 0 CGADMP Cc1cc(Nc2ccccc2C[NH+]2CCCC2)c[nH+]c1N ZINC001249787016 805245308 /nfs/dbraw/zinc/24/53/08/805245308.db2.gz CSGKIAIRGZIYLW-UHFFFAOYSA-N 2 1 282.391 3.312 20 0 CGADMP c1ccc([C@@H]2CC[N@@H+]2C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001256861601 806994159 /nfs/dbraw/zinc/99/41/59/806994159.db2.gz RRGCAPAKKVTFNG-IBGZPJMESA-N 2 1 293.414 3.497 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256895670 806999686 /nfs/dbraw/zinc/99/96/86/806999686.db2.gz WQHGATCPBBYUJZ-QGZVFWFLSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256895670 806999688 /nfs/dbraw/zinc/99/96/88/806999688.db2.gz WQHGATCPBBYUJZ-QGZVFWFLSA-N 2 1 284.447 3.150 20 0 CGADMP CCCC[N@@H+](C)CCCN[C@@H]1CCC[NH+](C2CCCC2)C1 ZINC001256897220 807001497 /nfs/dbraw/zinc/00/14/97/807001497.db2.gz HDHODJGABSJVRS-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP CCCC[NH+](C)CCCN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256897220 807001504 /nfs/dbraw/zinc/00/15/04/807001504.db2.gz HDHODJGABSJVRS-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP CCCC[NH+](C)CCCN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256897220 807001513 /nfs/dbraw/zinc/00/15/13/807001513.db2.gz HDHODJGABSJVRS-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP CC(C)C[N@H+](C1CCN(C(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257212515 807062483 /nfs/dbraw/zinc/06/24/83/807062483.db2.gz XFDPFMZUIDZJSD-QAQDUYKDSA-N 2 1 295.515 3.087 20 0 CGADMP CC(C)C[N@@H+](C1CC[NH+](C(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257212515 807062489 /nfs/dbraw/zinc/06/24/89/807062489.db2.gz XFDPFMZUIDZJSD-QAQDUYKDSA-N 3 1 295.515 3.087 20 0 CGADMP CC(C)C[N@H+](C1CC[NH+](C(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257212515 807062495 /nfs/dbraw/zinc/06/24/95/807062495.db2.gz XFDPFMZUIDZJSD-QAQDUYKDSA-N 3 1 295.515 3.087 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+]3CC[C@@H]([NH3+])C3)ccc2c1 ZINC001257273507 807086132 /nfs/dbraw/zinc/08/61/32/807086132.db2.gz PVRLSQHAVCOLRZ-RDTXWAMCSA-N 2 1 298.430 3.203 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@@H]([NH3+])C3)ccc2c1 ZINC001257273507 807086138 /nfs/dbraw/zinc/08/61/38/807086138.db2.gz PVRLSQHAVCOLRZ-RDTXWAMCSA-N 2 1 298.430 3.203 20 0 CGADMP CCCC[C@H](CC)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001257413263 807143401 /nfs/dbraw/zinc/14/34/01/807143401.db2.gz AZGXSHHWEFWUKC-INIZCTEOSA-N 2 1 275.440 3.300 20 0 CGADMP CCCC[C@H](CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257420912 807147418 /nfs/dbraw/zinc/14/74/18/807147418.db2.gz KMWPLPYACQEBOI-AWEZNQCLSA-N 2 1 281.444 3.085 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001257463251 807168263 /nfs/dbraw/zinc/16/82/63/807168263.db2.gz LANYLVUCEADELY-KBPBESRZSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]1CC[N@@H+](C)C1 ZINC001167281254 807174920 /nfs/dbraw/zinc/17/49/20/807174920.db2.gz QJBPMGUAEMZXNW-HNNXBMFYSA-N 2 1 273.424 3.101 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]1CC[N@H+](C)C1 ZINC001167281254 807174925 /nfs/dbraw/zinc/17/49/25/807174925.db2.gz QJBPMGUAEMZXNW-HNNXBMFYSA-N 2 1 273.424 3.101 20 0 CGADMP CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001257505663 807184592 /nfs/dbraw/zinc/18/45/92/807184592.db2.gz XJVNREGRWOXNEV-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001257505663 807184595 /nfs/dbraw/zinc/18/45/95/807184595.db2.gz XJVNREGRWOXNEV-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CC(C)(C)C ZINC001167457922 807194706 /nfs/dbraw/zinc/19/47/06/807194706.db2.gz NQFATXHINJAZNH-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2ccn(C)c21 ZINC001167751642 807240457 /nfs/dbraw/zinc/24/04/57/807240457.db2.gz LHXRXJLZNCATLZ-CQSZACIVSA-N 2 1 286.423 3.250 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2ccn(C)c21 ZINC001167751642 807240462 /nfs/dbraw/zinc/24/04/62/807240462.db2.gz LHXRXJLZNCATLZ-CQSZACIVSA-N 2 1 286.423 3.250 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1cccc2c1C[NH2+]CC2 ZINC001167753257 807242100 /nfs/dbraw/zinc/24/21/00/807242100.db2.gz NDBPJRHLBCHNLQ-HNNXBMFYSA-N 2 1 287.451 3.009 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@H]1CCOC ZINC001167824755 807255967 /nfs/dbraw/zinc/25/59/67/807255967.db2.gz GEZKFWQGHMHNOM-SJORKVTESA-N 2 1 284.488 3.388 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001167824717 807256422 /nfs/dbraw/zinc/25/64/22/807256422.db2.gz FVOUQBYEZWXBSC-FUHWJXTLSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC001167827838 807256924 /nfs/dbraw/zinc/25/69/24/807256924.db2.gz YFMLCYZQYZRWHV-ZWKOTPCHSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001167827838 807256927 /nfs/dbraw/zinc/25/69/27/807256927.db2.gz YFMLCYZQYZRWHV-ZWKOTPCHSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OC ZINC001167828011 807257465 /nfs/dbraw/zinc/25/74/65/807257465.db2.gz VISRWHXLVZOQFL-XWTMOSNGSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@@H]1CC1(C)C ZINC001167836496 807259448 /nfs/dbraw/zinc/25/94/48/807259448.db2.gz DZTKSIXZRCULGX-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001258012416 807266265 /nfs/dbraw/zinc/26/62/65/807266265.db2.gz WNMDVJRUTYAACN-INIZCTEOSA-N 2 1 270.436 3.321 20 0 CGADMP CC[N@H+](Cc1ccccn1)C1CC[NH+](CC(C)C)CC1 ZINC001258016769 807266388 /nfs/dbraw/zinc/26/63/88/807266388.db2.gz LJBZXNPPWPAXGM-UHFFFAOYSA-N 2 1 275.440 3.024 20 0 CGADMP CC[N@@H+](Cc1ccccn1)C1CC[NH+](CC(C)C)CC1 ZINC001258016769 807266394 /nfs/dbraw/zinc/26/63/94/807266394.db2.gz LJBZXNPPWPAXGM-UHFFFAOYSA-N 2 1 275.440 3.024 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)C2CCCCC2)CC1 ZINC001258012458 807267205 /nfs/dbraw/zinc/26/72/05/807267205.db2.gz WXCNALZKEHONCW-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167950471 807281371 /nfs/dbraw/zinc/28/13/71/807281371.db2.gz BXWUMYQOMJRCNG-YRXWBPOGSA-N 2 1 284.447 3.239 20 0 CGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167950471 807281376 /nfs/dbraw/zinc/28/13/76/807281376.db2.gz BXWUMYQOMJRCNG-YRXWBPOGSA-N 2 1 284.447 3.239 20 0 CGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167950471 807281380 /nfs/dbraw/zinc/28/13/80/807281380.db2.gz BXWUMYQOMJRCNG-YRXWBPOGSA-N 2 1 284.447 3.239 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC13CCCC3)C2 ZINC001167972701 807291536 /nfs/dbraw/zinc/29/15/36/807291536.db2.gz ABXPZAXUVUUOAA-HMQMGEFJSA-N 2 1 274.452 3.314 20 0 CGADMP CC[C@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167989155 807292211 /nfs/dbraw/zinc/29/22/11/807292211.db2.gz YBLQLMZNUXAFET-NTQSIJHJSA-N 2 1 250.430 3.122 20 0 CGADMP CC[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167989155 807292218 /nfs/dbraw/zinc/29/22/18/807292218.db2.gz YBLQLMZNUXAFET-NTQSIJHJSA-N 2 1 250.430 3.122 20 0 CGADMP CC[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167989155 807292225 /nfs/dbraw/zinc/29/22/25/807292225.db2.gz YBLQLMZNUXAFET-NTQSIJHJSA-N 2 1 250.430 3.122 20 0 CGADMP COCC[N@@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039186 807302235 /nfs/dbraw/zinc/30/22/35/807302235.db2.gz BYPDOYUZFMHZAX-HZPDHXFCSA-N 2 1 290.451 3.006 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CC=CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041595 807303318 /nfs/dbraw/zinc/30/33/18/807303318.db2.gz UASCDMQHUCBXHY-ALXJQNPVSA-N 2 1 270.420 3.300 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258096552 807304195 /nfs/dbraw/zinc/30/41/95/807304195.db2.gz QZTHPWLHIUBKKQ-ARFHVFGLSA-N 2 1 250.430 3.005 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168101388 807312121 /nfs/dbraw/zinc/31/21/21/807312121.db2.gz LEQKQNSLSSOYNO-DKIMLUQUSA-N 2 1 294.483 3.316 20 0 CGADMP Cc1cc[nH+]c2cc(NC3(C)CC[NH2+]CC3)ccc12 ZINC001168185928 807339489 /nfs/dbraw/zinc/33/94/89/807339489.db2.gz POMJLADPXNDBTK-UHFFFAOYSA-N 2 1 255.365 3.097 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258176386 807342494 /nfs/dbraw/zinc/34/24/94/807342494.db2.gz SSTIRDKBZGVHQQ-QAPCUYQASA-N 2 1 286.419 3.493 20 0 CGADMP C[C@@H](Cc1ccco1)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258181289 807345288 /nfs/dbraw/zinc/34/52/88/807345288.db2.gz AJGBKLZACICAOP-BPUTZDHNSA-N 2 1 276.424 3.193 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)[C@@H](C)C1 ZINC001168209574 807349645 /nfs/dbraw/zinc/34/96/45/807349645.db2.gz XQHHXQGJOOTWFZ-GRAKBVBRSA-N 2 1 252.446 3.274 20 0 CGADMP CSCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258200862 807361349 /nfs/dbraw/zinc/36/13/49/807361349.db2.gz YBFHNDCKTZCJRF-QLFBSQMISA-N 2 1 272.502 3.086 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001168328853 807386536 /nfs/dbraw/zinc/38/65/36/807386536.db2.gz LNSIZIUMRSXEER-UHFFFAOYSA-N 2 1 276.399 3.057 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373777 807398147 /nfs/dbraw/zinc/39/81/47/807398147.db2.gz UKIMLUNJKKVSCF-HNNXBMFYSA-N 2 1 284.447 3.480 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258340720 807418656 /nfs/dbraw/zinc/41/86/56/807418656.db2.gz HKEZDFVYOHRLSX-AWEZNQCLSA-N 2 1 284.513 3.324 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2cccc(F)c2)[C@@H](C)C1 ZINC001168473752 807429253 /nfs/dbraw/zinc/42/92/53/807429253.db2.gz HJZMRZHQOFBINH-HDMKZQKVSA-N 2 1 292.442 3.465 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258453716 807459581 /nfs/dbraw/zinc/45/95/81/807459581.db2.gz TVXHRKRMHJMZDX-DAXOMENPSA-N 2 1 250.430 3.157 20 0 CGADMP CCCC1CCC([N@H+]2C[C@H]3CCCN(C)[C@H]3C2)CC1 ZINC001258533639 807488942 /nfs/dbraw/zinc/48/89/42/807488942.db2.gz DHSLYJAMOHGJQH-MYBQVCMBSA-N 2 1 264.457 3.371 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258674032 807538658 /nfs/dbraw/zinc/53/86/58/807538658.db2.gz RCDXNHLUHUROEU-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@@H](CCC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258674032 807538661 /nfs/dbraw/zinc/53/86/61/807538661.db2.gz RCDXNHLUHUROEU-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@@H](CCC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258674032 807538665 /nfs/dbraw/zinc/53/86/65/807538665.db2.gz RCDXNHLUHUROEU-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC001169081634 807568834 /nfs/dbraw/zinc/56/88/34/807568834.db2.gz UWHFPEBGISJWQB-QKDCVEJESA-N 2 1 264.800 3.055 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC001169081634 807568838 /nfs/dbraw/zinc/56/88/38/807568838.db2.gz UWHFPEBGISJWQB-QKDCVEJESA-N 2 1 264.800 3.055 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001169082651 807568859 /nfs/dbraw/zinc/56/88/59/807568859.db2.gz BLWFRZCUNMSSJS-CEXWTWQISA-N 2 1 286.463 3.137 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001169082651 807568864 /nfs/dbraw/zinc/56/88/64/807568864.db2.gz BLWFRZCUNMSSJS-CEXWTWQISA-N 2 1 286.463 3.137 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001169082651 807568870 /nfs/dbraw/zinc/56/88/70/807568870.db2.gz BLWFRZCUNMSSJS-CEXWTWQISA-N 2 1 286.463 3.137 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccccc1Cl)C2 ZINC001169093415 807573606 /nfs/dbraw/zinc/57/36/06/807573606.db2.gz GZYSFKNESLGRIP-QKDCVEJESA-N 2 1 278.827 3.097 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169093881 807574030 /nfs/dbraw/zinc/57/40/30/807574030.db2.gz JRHZGBCRZBPFHO-DZUCGIPZSA-N 2 1 258.409 3.271 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCSCc1ccccc1)C2 ZINC001169099117 807575097 /nfs/dbraw/zinc/57/50/97/807575097.db2.gz NNMHACVVQUAPPE-BJWYYQGGSA-N 2 1 290.476 3.135 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169100241 807575900 /nfs/dbraw/zinc/57/59/00/807575900.db2.gz HHRVLJUXFCCKEO-YVSFHVDLSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1OC ZINC001169108627 807578342 /nfs/dbraw/zinc/57/83/42/807578342.db2.gz UERCZFWDJUZPET-IVSAIRAKSA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1OC ZINC001169108627 807578348 /nfs/dbraw/zinc/57/83/48/807578348.db2.gz UERCZFWDJUZPET-IVSAIRAKSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccn3)CCC1)C2 ZINC001169115694 807581098 /nfs/dbraw/zinc/58/10/98/807581098.db2.gz MSENXYISVGEXPN-BCDXTJNWSA-N 2 1 299.462 3.009 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cccc(F)c1)C1CC1)C2 ZINC001169115704 807581628 /nfs/dbraw/zinc/58/16/28/807581628.db2.gz NBRCLSZOUQCJKE-XMTFNYHQSA-N 2 1 288.410 3.492 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001258740165 807585014 /nfs/dbraw/zinc/58/50/14/807585014.db2.gz MUCCYTIXDXGOHE-BBRMVZONSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258747506 807590154 /nfs/dbraw/zinc/59/01/54/807590154.db2.gz RGWUNYOTXNMXTR-IMJJTQAJSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258747506 807590158 /nfs/dbraw/zinc/59/01/58/807590158.db2.gz RGWUNYOTXNMXTR-IMJJTQAJSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258747506 807590166 /nfs/dbraw/zinc/59/01/66/807590166.db2.gz RGWUNYOTXNMXTR-IMJJTQAJSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258747505 807590543 /nfs/dbraw/zinc/59/05/43/807590543.db2.gz RGWUNYOTXNMXTR-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258747505 807590546 /nfs/dbraw/zinc/59/05/46/807590546.db2.gz RGWUNYOTXNMXTR-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258747505 807590552 /nfs/dbraw/zinc/59/05/52/807590552.db2.gz RGWUNYOTXNMXTR-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160201 807597815 /nfs/dbraw/zinc/59/78/15/807597815.db2.gz CCSRWLCUVWNZGO-KYHPRHEASA-N 2 1 270.420 3.231 20 0 CGADMP C[NH+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160201 807597821 /nfs/dbraw/zinc/59/78/21/807597821.db2.gz CCSRWLCUVWNZGO-KYHPRHEASA-N 2 1 270.420 3.231 20 0 CGADMP C[NH+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160201 807597825 /nfs/dbraw/zinc/59/78/25/807597825.db2.gz CCSRWLCUVWNZGO-KYHPRHEASA-N 2 1 270.420 3.231 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258767941 807602739 /nfs/dbraw/zinc/60/27/39/807602739.db2.gz ZACZVYZMHAELND-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(F)c2C)CC1 ZINC001258766226 807602788 /nfs/dbraw/zinc/60/27/88/807602788.db2.gz ORGHVVSQFNCFNB-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ncco3)cc2)CC1 ZINC001258770053 807604198 /nfs/dbraw/zinc/60/41/98/807604198.db2.gz BYXXBWLOLKQPID-UHFFFAOYSA-N 2 1 299.418 3.306 20 0 CGADMP CCCN1CCC([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC1 ZINC001258777720 807606913 /nfs/dbraw/zinc/60/69/13/807606913.db2.gz FWWKJSKEKVKEBQ-SHTZXODSSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)[C@H]2CC[C@H](C)CC2)CC1 ZINC001258777720 807606915 /nfs/dbraw/zinc/60/69/15/807606915.db2.gz FWWKJSKEKVKEBQ-SHTZXODSSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC1 ZINC001258777720 807606917 /nfs/dbraw/zinc/60/69/17/807606917.db2.gz FWWKJSKEKVKEBQ-SHTZXODSSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)c2ccc(F)cc2)CC1 ZINC001169238928 807612785 /nfs/dbraw/zinc/61/27/85/807612785.db2.gz OHOZXXJHUSGQOD-UHFFFAOYSA-N 2 1 264.388 3.135 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001169255200 807615633 /nfs/dbraw/zinc/61/56/33/807615633.db2.gz NOMDDILTTJCTRY-QGZVFWFLSA-N 2 1 258.409 3.308 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001169255200 807615636 /nfs/dbraw/zinc/61/56/36/807615636.db2.gz NOMDDILTTJCTRY-QGZVFWFLSA-N 2 1 258.409 3.308 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001169262171 807617797 /nfs/dbraw/zinc/61/77/97/807617797.db2.gz USMYQDFSSMUHRD-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001169262171 807617799 /nfs/dbraw/zinc/61/77/99/807617799.db2.gz USMYQDFSSMUHRD-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258836217 807649857 /nfs/dbraw/zinc/64/98/57/807649857.db2.gz QQQWEKMCBGIEFH-QGZVFWFLSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)CC(CC(C)C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258836217 807649861 /nfs/dbraw/zinc/64/98/61/807649861.db2.gz QQQWEKMCBGIEFH-QGZVFWFLSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)CC(CC(C)C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258836217 807649867 /nfs/dbraw/zinc/64/98/67/807649867.db2.gz QQQWEKMCBGIEFH-QGZVFWFLSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258838695 807652547 /nfs/dbraw/zinc/65/25/47/807652547.db2.gz GONNXXUXRCNFHE-SQNIBIBYSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001170116684 807763117 /nfs/dbraw/zinc/76/31/17/807763117.db2.gz FUALETXCQDKPGQ-UAGQMJEPSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001170116684 807763123 /nfs/dbraw/zinc/76/31/23/807763123.db2.gz FUALETXCQDKPGQ-UAGQMJEPSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CCO1 ZINC001170233900 807797922 /nfs/dbraw/zinc/79/79/22/807797922.db2.gz HJLNTEJBXCIWEA-BSDSXHPESA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@@H]1C[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001170233900 807797929 /nfs/dbraw/zinc/79/79/29/807797929.db2.gz HJLNTEJBXCIWEA-BSDSXHPESA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@@H]1C[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CCO1 ZINC001170233900 807797930 /nfs/dbraw/zinc/79/79/30/807797930.db2.gz HJLNTEJBXCIWEA-BSDSXHPESA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001170255677 807806811 /nfs/dbraw/zinc/80/68/11/807806811.db2.gz VHEFGDRKEQZZPH-ZFWWWQNUSA-N 2 1 280.843 3.345 20 0 CGADMP Cc1[nH+]ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1F ZINC001170454334 807847824 /nfs/dbraw/zinc/84/78/24/807847824.db2.gz PZFAZBDRRXWGPS-UHFFFAOYSA-N 2 1 279.403 3.014 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001262374075 807860163 /nfs/dbraw/zinc/86/01/63/807860163.db2.gz SPZBGLAHAFVWRM-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171011368 807958729 /nfs/dbraw/zinc/95/87/29/807958729.db2.gz CVLYGRXMTDRYIG-ZDUSSCGKSA-N 2 1 289.810 3.076 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](F)CC2)CC1(C)C ZINC001171630798 808107736 /nfs/dbraw/zinc/10/77/36/808107736.db2.gz CCGKZALPRJMFTJ-ZDUSSCGKSA-N 2 1 270.436 3.462 20 0 CGADMP CCO[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171637845 808109118 /nfs/dbraw/zinc/10/91/18/808109118.db2.gz PRIQAGKQNOCIJW-HNNXBMFYSA-N 2 1 282.472 3.139 20 0 CGADMP C[N@H+](Cc1ccncc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631996 808109496 /nfs/dbraw/zinc/10/94/96/808109496.db2.gz SDWCEETZHXZWLB-UHFFFAOYSA-N 2 1 275.440 3.165 20 0 CGADMP C[N@@H+](Cc1ccncc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631996 808109499 /nfs/dbraw/zinc/10/94/99/808109499.db2.gz SDWCEETZHXZWLB-UHFFFAOYSA-N 2 1 275.440 3.165 20 0 CGADMP [NH3+]CCC[N@@H+]([C@H]1Cc2cccc(F)c2C1)C1CCCCC1 ZINC001171772895 808134658 /nfs/dbraw/zinc/13/46/58/808134658.db2.gz FXVILDAMCCJSLX-INIZCTEOSA-N 2 1 290.426 3.276 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172101438 808171963 /nfs/dbraw/zinc/17/19/63/808171963.db2.gz YGQNKJNEAYHSLZ-DGADGQDISA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172101438 808171965 /nfs/dbraw/zinc/17/19/65/808171965.db2.gz YGQNKJNEAYHSLZ-DGADGQDISA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3c1cccc3C[NH3+])C2 ZINC001172099575 808172385 /nfs/dbraw/zinc/17/23/85/808172385.db2.gz LFMSRMTZXNKBTM-MUJYYYPQSA-N 2 1 283.419 3.288 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)C2 ZINC001172102862 808175070 /nfs/dbraw/zinc/17/50/70/808175070.db2.gz PSZTZEJNOZCJNG-CLLJXQQHSA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)C2 ZINC001172102862 808175072 /nfs/dbraw/zinc/17/50/72/808175072.db2.gz PSZTZEJNOZCJNG-CLLJXQQHSA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3cccnc3)CC1)C2 ZINC001172112657 808178245 /nfs/dbraw/zinc/17/82/45/808178245.db2.gz YSZOKHCFXCLSQC-NNZMDNLPSA-N 2 1 299.462 3.009 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113171 808179804 /nfs/dbraw/zinc/17/98/04/808179804.db2.gz HHMDTMHXCUHGKM-SQNSNAQRSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113171 808179810 /nfs/dbraw/zinc/17/98/10/808179810.db2.gz HHMDTMHXCUHGKM-SQNSNAQRSA-N 2 1 250.430 3.026 20 0 CGADMP CCCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC001172115114 808180567 /nfs/dbraw/zinc/18/05/67/808180567.db2.gz QUYAGAFYCXOFJJ-QDMKHBRRSA-N 2 1 250.430 3.314 20 0 CGADMP CCCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172115114 808180572 /nfs/dbraw/zinc/18/05/72/808180572.db2.gz QUYAGAFYCXOFJJ-QDMKHBRRSA-N 2 1 250.430 3.314 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001172115110 808181318 /nfs/dbraw/zinc/18/13/18/808181318.db2.gz UNXPDKGXYVAOQZ-XJFOESAGSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001172115110 808181320 /nfs/dbraw/zinc/18/13/20/808181320.db2.gz UNXPDKGXYVAOQZ-XJFOESAGSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001172115110 808181322 /nfs/dbraw/zinc/18/13/22/808181322.db2.gz UNXPDKGXYVAOQZ-XJFOESAGSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001172115110 808181324 /nfs/dbraw/zinc/18/13/24/808181324.db2.gz UNXPDKGXYVAOQZ-XJFOESAGSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001172120951 808183264 /nfs/dbraw/zinc/18/32/64/808183264.db2.gz AKDFKOBKNMYTQT-FCGDIQPGSA-N 2 1 299.462 3.104 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001172120951 808183268 /nfs/dbraw/zinc/18/32/68/808183268.db2.gz AKDFKOBKNMYTQT-FCGDIQPGSA-N 2 1 299.462 3.104 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001172120951 808183271 /nfs/dbraw/zinc/18/32/71/808183271.db2.gz AKDFKOBKNMYTQT-FCGDIQPGSA-N 2 1 299.462 3.104 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001172120951 808183272 /nfs/dbraw/zinc/18/32/72/808183272.db2.gz AKDFKOBKNMYTQT-FCGDIQPGSA-N 2 1 299.462 3.104 20 0 CGADMP C[NH+](CCOc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119831 808184088 /nfs/dbraw/zinc/18/40/88/808184088.db2.gz BDTBAUYGVRGMOC-BJWYYQGGSA-N 2 1 288.435 3.013 20 0 CGADMP C[N@@H+](CCOc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119831 808184080 /nfs/dbraw/zinc/18/40/80/808184080.db2.gz BDTBAUYGVRGMOC-BJWYYQGGSA-N 2 1 288.435 3.013 20 0 CGADMP C[NH+](CCOc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119831 808184084 /nfs/dbraw/zinc/18/40/84/808184084.db2.gz BDTBAUYGVRGMOC-BJWYYQGGSA-N 2 1 288.435 3.013 20 0 CGADMP CCC(CC)[N@H+](C1C[C@@H]2C=C[C@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172234686 808205658 /nfs/dbraw/zinc/20/56/58/808205658.db2.gz JRAJXIMPCPBNMP-MHDJUUOISA-N 2 1 292.467 3.233 20 0 CGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](CCCOC)CC1 ZINC001172249216 808209633 /nfs/dbraw/zinc/20/96/33/808209633.db2.gz GSVGNQUHZXDAHW-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CCCOC)CC1 ZINC001172249216 808209636 /nfs/dbraw/zinc/20/96/36/808209636.db2.gz GSVGNQUHZXDAHW-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172323307 808231682 /nfs/dbraw/zinc/23/16/82/808231682.db2.gz GVEZHEDIMBSZLT-VIQHNZTISA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172323307 808231684 /nfs/dbraw/zinc/23/16/84/808231684.db2.gz GVEZHEDIMBSZLT-VIQHNZTISA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172324521 808233697 /nfs/dbraw/zinc/23/36/97/808233697.db2.gz HHUAQZLQRDMDKQ-UGUYLWEFSA-N 2 1 270.461 3.043 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C[C@H]1C ZINC001172375593 808270359 /nfs/dbraw/zinc/27/03/59/808270359.db2.gz DHOYMJMBWYOWTJ-CPUCHLNUSA-N 2 1 264.457 3.370 20 0 CGADMP CC[C@@H](CC(C)C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172392639 808283703 /nfs/dbraw/zinc/28/37/03/808283703.db2.gz GGGCJSKLTPWPNO-HNNXBMFYSA-N 3 1 285.520 3.286 20 0 CGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172752247 808429806 /nfs/dbraw/zinc/42/98/06/808429806.db2.gz NXIMPKVFGBCEDC-JYJNAYRXSA-N 2 1 298.471 3.087 20 0 CGADMP CCCO[C@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173112094 808513569 /nfs/dbraw/zinc/51/35/69/808513569.db2.gz QDWUFEXBYACWEC-JCYILVPMSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](F)C2)CC1 ZINC001173112229 808513750 /nfs/dbraw/zinc/51/37/50/808513750.db2.gz TUXMACWVAYGVNY-NFOMZHRRSA-N 2 1 256.409 3.073 20 0 CGADMP CCc1ccc(C[C@@H](C)n2cc[nH+]c2CCC[NH3+])cc1 ZINC001173252993 808559485 /nfs/dbraw/zinc/55/94/85/808559485.db2.gz OJJCMWRNTQMWGX-CQSZACIVSA-N 2 1 271.408 3.141 20 0 CGADMP CC[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001173275769 808578352 /nfs/dbraw/zinc/57/83/52/808578352.db2.gz SYOZACZHKPMCKL-XFIYOXNOSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001173275769 808578354 /nfs/dbraw/zinc/57/83/54/808578354.db2.gz SYOZACZHKPMCKL-XFIYOXNOSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)C1 ZINC001173288562 808588193 /nfs/dbraw/zinc/58/81/93/808588193.db2.gz NNGHIBYERAICQA-NXHRZFHOSA-N 2 1 294.483 3.140 20 0 CGADMP CCSC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173290588 808591429 /nfs/dbraw/zinc/59/14/29/808591429.db2.gz DYQBAHYFQKJKES-QLFBSQMISA-N 2 1 272.502 3.086 20 0 CGADMP C[N@@H+]1CCc2ccc(Nc3cc[nH+]c4ccccc34)cc2C1 ZINC001174039283 808838411 /nfs/dbraw/zinc/83/84/11/808838411.db2.gz LSWSCDLRZZMFGH-UHFFFAOYSA-N 2 1 289.382 3.388 20 0 CGADMP C[N@H+]1CCc2ccc(Nc3cc[nH+]c4ccccc34)cc2C1 ZINC001174039283 808838415 /nfs/dbraw/zinc/83/84/15/808838415.db2.gz LSWSCDLRZZMFGH-UHFFFAOYSA-N 2 1 289.382 3.388 20 0 CGADMP CCC[C@@H](C)C[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275072840 808904395 /nfs/dbraw/zinc/90/43/95/808904395.db2.gz IPUSPLZRMQTJDX-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP CCC[C@@H](C)C[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275072840 808904404 /nfs/dbraw/zinc/90/44/04/808904404.db2.gz IPUSPLZRMQTJDX-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001275164348 808918518 /nfs/dbraw/zinc/91/85/18/808918518.db2.gz KCMDJJJAZWPEGJ-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001275164348 808918525 /nfs/dbraw/zinc/91/85/25/808918525.db2.gz KCMDJJJAZWPEGJ-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001275164348 808918531 /nfs/dbraw/zinc/91/85/31/808918531.db2.gz KCMDJJJAZWPEGJ-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001275308574 808927499 /nfs/dbraw/zinc/92/74/99/808927499.db2.gz QHRCAJNGDRWPRD-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP CC(C)(C)c1cc(-n2c(N)[nH+]c3ccccc32)cc[nH+]1 ZINC001213160691 815247496 /nfs/dbraw/zinc/24/74/96/815247496.db2.gz FZQWUHPTWVBCTN-UHFFFAOYSA-N 2 1 266.348 3.300 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4o3)C[C@H]2CC1 ZINC001275717722 808960466 /nfs/dbraw/zinc/96/04/66/808960466.db2.gz ZVNIBPRBJLXUCL-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]2CC1 ZINC001275717722 808960471 /nfs/dbraw/zinc/96/04/71/808960471.db2.gz ZVNIBPRBJLXUCL-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2CC1 ZINC001275717722 808960475 /nfs/dbraw/zinc/96/04/75/808960475.db2.gz ZVNIBPRBJLXUCL-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP Cc1ccsc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275859602 808970944 /nfs/dbraw/zinc/97/09/44/808970944.db2.gz NCAPKVWUMAZZCP-MRXNPFEDSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275859602 808970945 /nfs/dbraw/zinc/97/09/45/808970945.db2.gz NCAPKVWUMAZZCP-MRXNPFEDSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1ccsc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275859602 808970948 /nfs/dbraw/zinc/97/09/48/808970948.db2.gz NCAPKVWUMAZZCP-MRXNPFEDSA-N 2 1 278.465 3.364 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)c(C)o3)(C1)CCC2 ZINC001276175286 808992454 /nfs/dbraw/zinc/99/24/54/808992454.db2.gz IRDFHGSJFYYMND-JKSUJKDBSA-N 2 1 262.397 3.051 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(C)s1 ZINC001276665010 809023904 /nfs/dbraw/zinc/02/39/04/809023904.db2.gz FCBCIVFEXIAKHR-UHFFFAOYSA-N 2 1 278.465 3.283 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC2(CN(C3CC3)C2)C1 ZINC001277921446 809105019 /nfs/dbraw/zinc/10/50/19/809105019.db2.gz DDONSVHUQHIFAG-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001277958829 809108711 /nfs/dbraw/zinc/10/87/11/809108711.db2.gz NDTRXVZXEMYRIZ-VUCRHFMTSA-N 2 1 296.499 3.169 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCc1c[nH]c3ccccc13)CC2 ZINC001278169329 809117458 /nfs/dbraw/zinc/11/74/58/809117458.db2.gz XRVGHWSTDPKTAS-UHFFFAOYSA-N 2 1 297.446 3.128 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202211 809307230 /nfs/dbraw/zinc/30/72/30/809307230.db2.gz CUEPIVGRJOCIKO-RVKKMQEKSA-N 2 1 288.410 3.087 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202211 809307240 /nfs/dbraw/zinc/30/72/40/809307240.db2.gz CUEPIVGRJOCIKO-RVKKMQEKSA-N 2 1 288.410 3.087 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202211 809307245 /nfs/dbraw/zinc/30/72/45/809307245.db2.gz CUEPIVGRJOCIKO-RVKKMQEKSA-N 2 1 288.410 3.087 20 0 CGADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1 ZINC001175445097 809409976 /nfs/dbraw/zinc/40/99/76/809409976.db2.gz VNRUBGKGVPEWFA-AEFFLSMTSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC001175445097 809409981 /nfs/dbraw/zinc/40/99/81/809409981.db2.gz VNRUBGKGVPEWFA-AEFFLSMTSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC001175445097 809409986 /nfs/dbraw/zinc/40/99/86/809409986.db2.gz VNRUBGKGVPEWFA-AEFFLSMTSA-N 2 1 272.436 3.138 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](CCC3CCCCCC3)C[C@]2(C)C1 ZINC001176642324 809736213 /nfs/dbraw/zinc/73/62/13/809736213.db2.gz YCUFUESPGZDRCW-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@]2(C)C1 ZINC001176642324 809736216 /nfs/dbraw/zinc/73/62/16/809736216.db2.gz YCUFUESPGZDRCW-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@]2(C)C1 ZINC001176642324 809736217 /nfs/dbraw/zinc/73/62/17/809736217.db2.gz YCUFUESPGZDRCW-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001177303081 809792168 /nfs/dbraw/zinc/79/21/68/809792168.db2.gz BHVVRWTXDRDKTP-BHIYHBOVSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001177303081 809792172 /nfs/dbraw/zinc/79/21/72/809792172.db2.gz BHVVRWTXDRDKTP-BHIYHBOVSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(F)c1 ZINC001178462568 809868507 /nfs/dbraw/zinc/86/85/07/809868507.db2.gz HBQWHMAKBKWUMM-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC001178872129 809892319 /nfs/dbraw/zinc/89/23/19/809892319.db2.gz FDCFHTXRXHSEED-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP c1cc2c(c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c1)CCC2 ZINC001179878803 809954033 /nfs/dbraw/zinc/95/40/33/809954033.db2.gz STXFEBBDJIEGPN-KRWDZBQOSA-N 2 1 298.474 3.483 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC001182152669 810096246 /nfs/dbraw/zinc/09/62/46/810096246.db2.gz QWEBJJDTPOLNPQ-JYJNAYRXSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC001182152669 810096248 /nfs/dbraw/zinc/09/62/48/810096248.db2.gz QWEBJJDTPOLNPQ-JYJNAYRXSA-N 2 1 270.461 3.044 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001183370660 810146834 /nfs/dbraw/zinc/14/68/34/810146834.db2.gz IQTQVZQFTNIRBR-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001183370660 810146837 /nfs/dbraw/zinc/14/68/37/810146837.db2.gz IQTQVZQFTNIRBR-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001183370660 810146840 /nfs/dbraw/zinc/14/68/40/810146840.db2.gz IQTQVZQFTNIRBR-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001183370660 810146842 /nfs/dbraw/zinc/14/68/42/810146842.db2.gz IQTQVZQFTNIRBR-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(C)(c4ccccc4)C3)[C@H]2C1 ZINC001184388762 810196993 /nfs/dbraw/zinc/19/69/93/810196993.db2.gz SQXQSLGUWNLLSK-UOLGJIMMSA-N 2 1 284.447 3.037 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)[C@H]2C1 ZINC001184389586 810197657 /nfs/dbraw/zinc/19/76/57/810197657.db2.gz YLEPPIMBDSOGNZ-FSGKZVOOSA-N 2 1 298.474 3.328 20 0 CGADMP CCCC1(CCC)CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC001197515181 811426768 /nfs/dbraw/zinc/42/67/68/811426768.db2.gz ZKIZWHLEVGSMOK-MRXNPFEDSA-N 2 1 284.488 3.122 20 0 CGADMP CCCC1(CCC)CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC001197515181 811426773 /nfs/dbraw/zinc/42/67/73/811426773.db2.gz ZKIZWHLEVGSMOK-MRXNPFEDSA-N 2 1 284.488 3.122 20 0 CGADMP CC1CC(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001197587734 811432192 /nfs/dbraw/zinc/43/21/92/811432192.db2.gz DMMXFOGWCCSSTQ-HFPIOELMSA-N 2 1 298.474 3.486 20 0 CGADMP CC1CC(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001197587734 811432194 /nfs/dbraw/zinc/43/21/94/811432194.db2.gz DMMXFOGWCCSSTQ-HFPIOELMSA-N 2 1 298.474 3.486 20 0 CGADMP CC1CC(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001197587734 811432200 /nfs/dbraw/zinc/43/22/00/811432200.db2.gz DMMXFOGWCCSSTQ-HFPIOELMSA-N 2 1 298.474 3.486 20 0 CGADMP CC1CC(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001197587734 811432206 /nfs/dbraw/zinc/43/22/06/811432206.db2.gz DMMXFOGWCCSSTQ-HFPIOELMSA-N 2 1 298.474 3.486 20 0 CGADMP C[N@H+](C[C@@H](O)C[NH+]1CCCCC12CCCCCC2)C1CC1 ZINC001198740535 811539834 /nfs/dbraw/zinc/53/98/34/811539834.db2.gz ATTWQXZRGMWWCO-QGZVFWFLSA-N 2 1 294.483 3.020 20 0 CGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCCC12CCCCCC2)C1CC1 ZINC001198740535 811539836 /nfs/dbraw/zinc/53/98/36/811539836.db2.gz ATTWQXZRGMWWCO-QGZVFWFLSA-N 2 1 294.483 3.020 20 0 CGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCCC12CCCCCC2)C1CC1 ZINC001198740535 811539843 /nfs/dbraw/zinc/53/98/43/811539843.db2.gz ATTWQXZRGMWWCO-QGZVFWFLSA-N 2 1 294.483 3.020 20 0 CGADMP C[NH+](C[C@@H](O)C[N@H+]1CCCCC12CCCCCC2)C1CC1 ZINC001198740535 811539849 /nfs/dbraw/zinc/53/98/49/811539849.db2.gz ATTWQXZRGMWWCO-QGZVFWFLSA-N 2 1 294.483 3.020 20 0 CGADMP CC(C)COc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC001199037718 811557004 /nfs/dbraw/zinc/55/70/04/811557004.db2.gz DWVWRGPLIWPPJH-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP C[NH+](C)Cc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001201384483 811823784 /nfs/dbraw/zinc/82/37/84/811823784.db2.gz IIVUUTIKKUHYTM-UHFFFAOYSA-N 2 1 295.308 3.328 20 0 CGADMP CC[C@@H](C)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201503307 811870828 /nfs/dbraw/zinc/87/08/28/811870828.db2.gz OFFSGBAPLQBUFX-HUUCEWRRSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201503307 811870837 /nfs/dbraw/zinc/87/08/37/811870837.db2.gz OFFSGBAPLQBUFX-HUUCEWRRSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@@H](C)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201503307 811870846 /nfs/dbraw/zinc/87/08/46/811870846.db2.gz OFFSGBAPLQBUFX-HUUCEWRRSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@@H](C)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201503307 811870855 /nfs/dbraw/zinc/87/08/55/811870855.db2.gz OFFSGBAPLQBUFX-HUUCEWRRSA-N 2 1 292.471 3.146 20 0 CGADMP CSCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201696211 811938651 /nfs/dbraw/zinc/93/86/51/811938651.db2.gz HNSQMDNHDHTVSU-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP CSCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201696211 811938655 /nfs/dbraw/zinc/93/86/55/811938655.db2.gz HNSQMDNHDHTVSU-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP CSCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201696211 811938660 /nfs/dbraw/zinc/93/86/60/811938660.db2.gz HNSQMDNHDHTVSU-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP CCCC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001201707111 811942206 /nfs/dbraw/zinc/94/22/06/811942206.db2.gz VQWUISVOPNFNHV-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201725933 811948114 /nfs/dbraw/zinc/94/81/14/811948114.db2.gz AMKZHXJICKDKNW-GASCZTMLSA-N 2 1 278.465 3.302 20 0 CGADMP CCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201725933 811948120 /nfs/dbraw/zinc/94/81/20/811948120.db2.gz AMKZHXJICKDKNW-GASCZTMLSA-N 2 1 278.465 3.302 20 0 CGADMP CCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201725933 811948126 /nfs/dbraw/zinc/94/81/26/811948126.db2.gz AMKZHXJICKDKNW-GASCZTMLSA-N 2 1 278.465 3.302 20 0 CGADMP CCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201725933 811948132 /nfs/dbraw/zinc/94/81/32/811948132.db2.gz AMKZHXJICKDKNW-GASCZTMLSA-N 2 1 278.465 3.302 20 0 CGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001201918881 811975964 /nfs/dbraw/zinc/97/59/64/811975964.db2.gz YLGCPNGZNNLTPM-UHFFFAOYSA-N 2 1 299.462 3.168 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001203136495 812251338 /nfs/dbraw/zinc/25/13/38/812251338.db2.gz PSTDNFQMMLTXEG-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP Cn1cccc1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001203270626 812286717 /nfs/dbraw/zinc/28/67/17/812286717.db2.gz OBHIQIQDRBFVFL-UHFFFAOYSA-N 2 1 289.467 3.254 20 0 CGADMP Cn1cccc1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001203270626 812286719 /nfs/dbraw/zinc/28/67/19/812286719.db2.gz OBHIQIQDRBFVFL-UHFFFAOYSA-N 2 1 289.467 3.254 20 0 CGADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203306599 812306704 /nfs/dbraw/zinc/30/67/04/812306704.db2.gz YMCBWPPAFVFTAO-IAGOWNOFSA-N 2 1 298.455 3.312 20 0 CGADMP COc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203823454 812469765 /nfs/dbraw/zinc/46/97/65/812469765.db2.gz GIPXWFKQBDRAPG-QGZVFWFLSA-N 2 1 298.386 3.052 20 0 CGADMP COc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203823454 812469771 /nfs/dbraw/zinc/46/97/71/812469771.db2.gz GIPXWFKQBDRAPG-QGZVFWFLSA-N 2 1 298.386 3.052 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(O)c1 ZINC001203863787 812475339 /nfs/dbraw/zinc/47/53/39/812475339.db2.gz LNLDJMLSPQTYSU-IRXDYDNUSA-N 2 1 288.435 3.231 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC001203863787 812475343 /nfs/dbraw/zinc/47/53/43/812475343.db2.gz LNLDJMLSPQTYSU-IRXDYDNUSA-N 2 1 288.435 3.231 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC001203863787 812475348 /nfs/dbraw/zinc/47/53/48/812475348.db2.gz LNLDJMLSPQTYSU-IRXDYDNUSA-N 2 1 288.435 3.231 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cccs2)CC1 ZINC001204016760 812520588 /nfs/dbraw/zinc/52/05/88/812520588.db2.gz IPPBUEHGUAXLAW-UHFFFAOYSA-N 2 1 266.454 3.444 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccs2)CC1 ZINC001204016760 812520592 /nfs/dbraw/zinc/52/05/92/812520592.db2.gz IPPBUEHGUAXLAW-UHFFFAOYSA-N 2 1 266.454 3.444 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC001204285064 812598625 /nfs/dbraw/zinc/59/86/25/812598625.db2.gz KDVIKTANEYTFKU-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP CCC[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)[C@H](C)CC ZINC001204629682 812694884 /nfs/dbraw/zinc/69/48/84/812694884.db2.gz GYKUUTFPOUNROL-MRXNPFEDSA-N 2 1 289.467 3.107 20 0 CGADMP CCC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)[C@@H](C)CC ZINC001204630801 812695138 /nfs/dbraw/zinc/69/51/38/812695138.db2.gz XDFHGCCLOLWJRS-LBPRGKRZSA-N 2 1 266.454 3.404 20 0 CGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204764380 812729858 /nfs/dbraw/zinc/72/98/58/812729858.db2.gz YFTIDNLKGHNJLM-WMZOPIPTSA-N 2 1 294.483 3.077 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204792182 812737829 /nfs/dbraw/zinc/73/78/29/812737829.db2.gz VCVMHFZHFKPPJX-OAHLLOKOSA-N 2 1 260.406 3.133 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204792182 812737834 /nfs/dbraw/zinc/73/78/34/812737834.db2.gz VCVMHFZHFKPPJX-OAHLLOKOSA-N 2 1 260.406 3.133 20 0 CGADMP [NH3+]Cc1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC001204854982 812754542 /nfs/dbraw/zinc/75/45/42/812754542.db2.gz XCOPEERXRIRFMJ-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC001204854982 812754547 /nfs/dbraw/zinc/75/45/47/812754547.db2.gz XCOPEERXRIRFMJ-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP CC/C=C\CCCCCC[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204918505 812775118 /nfs/dbraw/zinc/77/51/18/812775118.db2.gz GCKUYZQUVHSPDR-IPAZCJRMSA-N 2 1 250.430 3.040 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001204925605 812778059 /nfs/dbraw/zinc/77/80/59/812778059.db2.gz XEGIGYMPUNPMCQ-MRXNPFEDSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001204925605 812778062 /nfs/dbraw/zinc/77/80/62/812778062.db2.gz XEGIGYMPUNPMCQ-MRXNPFEDSA-N 2 1 268.404 3.461 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001204925675 812779092 /nfs/dbraw/zinc/77/90/92/812779092.db2.gz YTEWQMCYMKFSHT-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCCCOCc1ccccc1 ZINC001204925675 812779097 /nfs/dbraw/zinc/77/90/97/812779097.db2.gz YTEWQMCYMKFSHT-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C)CCC=C(C)C)C1 ZINC001205000285 812817433 /nfs/dbraw/zinc/81/74/33/812817433.db2.gz CFHUBOFPQKKAAU-CVEARBPZSA-N 2 1 252.446 3.300 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H](C)c2ccc(C)o2)C1 ZINC001205001149 812819256 /nfs/dbraw/zinc/81/92/56/812819256.db2.gz ONWXYMFOJDGVQM-HIFRSBDPSA-N 2 1 264.413 3.013 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H](C)CC(C)(C)C)C1 ZINC001205001915 812819561 /nfs/dbraw/zinc/81/95/61/812819561.db2.gz XLCJZIATGZTQBU-LSDHHAIUSA-N 2 1 254.462 3.380 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2C)C1 ZINC001205018722 812828543 /nfs/dbraw/zinc/82/85/43/812828543.db2.gz YMKXPAXABYEBRK-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2C)C1 ZINC001205018722 812828550 /nfs/dbraw/zinc/82/85/50/812828550.db2.gz YMKXPAXABYEBRK-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2cc(F)c(Cl)cc2Cl)CC1 ZINC001205046324 812837933 /nfs/dbraw/zinc/83/79/33/812837933.db2.gz DCNUSFPVDQPOLB-UHFFFAOYSA-N 2 1 291.197 3.303 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3c(F)cccc23)C[C@H]1C[NH3+] ZINC001205150693 812887033 /nfs/dbraw/zinc/88/70/33/812887033.db2.gz HOCTVFRVWHOJCR-GXTWGEPZSA-N 2 1 272.367 3.006 20 0 CGADMP CC1(C)CCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001205170659 812896764 /nfs/dbraw/zinc/89/67/64/812896764.db2.gz ANOADPBOWNIUEU-UHFFFAOYSA-N 2 1 283.419 3.119 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001205170737 812898016 /nfs/dbraw/zinc/89/80/16/812898016.db2.gz CCIXCPRMIRCTLM-HYVNUMGLSA-N 2 1 294.483 3.076 20 0 CGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205264300 812922034 /nfs/dbraw/zinc/92/20/34/812922034.db2.gz JJTNCJMJSNYJIZ-SFHVURJKSA-N 2 1 298.434 3.088 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273051 812924222 /nfs/dbraw/zinc/92/42/22/812924222.db2.gz CWQCJZWUNNPGCF-QGZVFWFLSA-N 2 1 276.424 3.097 20 0 CGADMP C[C@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@H]1C[NH3+] ZINC001205295538 812935678 /nfs/dbraw/zinc/93/56/78/812935678.db2.gz ABERXPFSGWVHSB-FUHWJXTLSA-N 2 1 274.452 3.316 20 0 CGADMP C[C@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)C[C@@H]1C[NH3+] ZINC001205296018 812935861 /nfs/dbraw/zinc/93/58/61/812935861.db2.gz DTBBXJFOSKOMBP-IRXDYDNUSA-N 2 1 286.463 3.415 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205296828 812937811 /nfs/dbraw/zinc/93/78/11/812937811.db2.gz ULPMXWSYRVXXCY-UDLYIEAKSA-N 2 1 252.446 3.430 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC001205303354 812940982 /nfs/dbraw/zinc/94/09/82/812940982.db2.gz CUUNTIRXYASJOO-HOCLYGCPSA-N 2 1 284.403 3.363 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccsc3c2)C[C@@H]1C[NH3+] ZINC001205303827 812941955 /nfs/dbraw/zinc/94/19/55/812941955.db2.gz LCLGSWZQGNBDEV-WFASDCNBSA-N 2 1 274.433 3.318 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C[C@H]1C[NH3+] ZINC001205304051 812942470 /nfs/dbraw/zinc/94/24/70/812942470.db2.gz NGQNDSVMEVCROH-VXGBXAGGSA-N 2 1 291.826 3.238 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC001205304772 812943520 /nfs/dbraw/zinc/94/35/20/812943520.db2.gz PQCPWYXKVZPGAL-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC001205304772 812943525 /nfs/dbraw/zinc/94/35/25/812943525.db2.gz PQCPWYXKVZPGAL-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318764 812952646 /nfs/dbraw/zinc/95/26/46/812952646.db2.gz WHYFNFMEGPVNOF-WCQYABFASA-N 2 1 298.883 3.479 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318764 812952650 /nfs/dbraw/zinc/95/26/50/812952650.db2.gz WHYFNFMEGPVNOF-WCQYABFASA-N 2 1 298.883 3.479 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@](F)(C[NH3+])CC2)o1 ZINC001205545648 812999527 /nfs/dbraw/zinc/99/95/27/812999527.db2.gz LDBRTWBFINAZFI-CJNGLKHVSA-N 2 1 282.403 3.235 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC001205545634 813000216 /nfs/dbraw/zinc/00/02/16/813000216.db2.gz KVHZQGSOSIXVSL-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205599991 813017460 /nfs/dbraw/zinc/01/74/60/813017460.db2.gz AWLQUYUFMNWBIT-TZMCWYRMSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(C)CCCCC2)CC[C@H]1C[NH3+] ZINC001205603537 813020185 /nfs/dbraw/zinc/02/01/85/813020185.db2.gz PWUWVYHYSMGHQG-CABCVRRESA-N 2 1 252.446 3.264 20 0 CGADMP CC(C)c1nc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cs1 ZINC001205618315 813029164 /nfs/dbraw/zinc/02/91/64/813029164.db2.gz ULCOGVBYSOWHTQ-OLZOCXBDSA-N 2 1 281.469 3.073 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205625273 813032924 /nfs/dbraw/zinc/03/29/24/813032924.db2.gz ASRBLNPMNFTWEH-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-n2cccc2)CC[C@@H]1C[NH3+] ZINC001205637506 813036090 /nfs/dbraw/zinc/03/60/90/813036090.db2.gz HQLWIMZKBGWRHT-IAGOWNOFSA-N 2 1 297.446 3.284 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205638708 813037496 /nfs/dbraw/zinc/03/74/96/813037496.db2.gz RGTWCUXMLZMCEJ-KBXCAEBGSA-N 2 1 272.436 3.371 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c12 ZINC001205651855 813042844 /nfs/dbraw/zinc/04/28/44/813042844.db2.gz KSKJSWSGPFVDOZ-HOCLYGCPSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@@H]1CC[N@H+](CCCCCc2ccccc2)C[C@@H]1[NH3+] ZINC001205862941 813112979 /nfs/dbraw/zinc/11/29/79/813112979.db2.gz DBKDZGMONWVWHZ-WBVHZDCISA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@@H]1[NH3+] ZINC001205862941 813112982 /nfs/dbraw/zinc/11/29/82/813112982.db2.gz DBKDZGMONWVWHZ-WBVHZDCISA-N 2 1 260.425 3.069 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205901066 813122894 /nfs/dbraw/zinc/12/28/94/813122894.db2.gz BASSNYFGLCIWER-DOTOQJQBSA-N 2 1 290.451 3.425 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205904931 813128183 /nfs/dbraw/zinc/12/81/83/813128183.db2.gz YQPKCZBJVMXNOJ-RYUDHWBXSA-N 2 1 291.826 3.381 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(CC)c1O ZINC001205913715 813130835 /nfs/dbraw/zinc/13/08/35/813130835.db2.gz JFYXHAOOEIXOIY-SUMWQHHRSA-N 2 1 290.451 3.076 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1Cl ZINC001205916649 813132589 /nfs/dbraw/zinc/13/25/89/813132589.db2.gz VPNCZXOYKGCMDV-GXTWGEPZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923508 813136203 /nfs/dbraw/zinc/13/62/03/813136203.db2.gz OVDMKTWGRKTDHA-NEPJUHHUSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923508 813136208 /nfs/dbraw/zinc/13/62/08/813136208.db2.gz OVDMKTWGRKTDHA-NEPJUHHUSA-N 2 1 284.806 3.347 20 0 CGADMP C[C@H]1C[N@@H+](CCC2CCCCC2)CCC[C@@H]1C[NH3+] ZINC001205982201 813151381 /nfs/dbraw/zinc/15/13/81/813151381.db2.gz LNZJAQCWHIBBBR-GOEBONIOSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CCC[C@@H]1C[NH3+] ZINC001205993680 813155175 /nfs/dbraw/zinc/15/51/75/813155175.db2.gz IGRSKQFNIJRKJW-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205994687 813156598 /nfs/dbraw/zinc/15/65/98/813156598.db2.gz LVJJIANVBFXLLR-HIFRSBDPSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CCC[C@@H]1C[NH3+] ZINC001205996089 813156813 /nfs/dbraw/zinc/15/68/13/813156813.db2.gz UQBSYEOICJHKKC-UONOGXRCSA-N 2 1 277.456 3.119 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)ccc2n1 ZINC001206004765 813161576 /nfs/dbraw/zinc/16/15/76/813161576.db2.gz UZCAGFDMUBUISN-KBXCAEBGSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccsc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011140 813163975 /nfs/dbraw/zinc/16/39/75/813163975.db2.gz AFAZXBDAFALCRL-WDEREUQCSA-N 2 1 272.845 3.208 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206012548 813165279 /nfs/dbraw/zinc/16/52/79/813165279.db2.gz MDJMGKRZTIMRAD-YOEHRIQHSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206014012 813166399 /nfs/dbraw/zinc/16/63/99/813166399.db2.gz UZVPJGRTDVNHGL-ZYHUDNBSSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3occc32)CCC[C@H]1C[NH3+] ZINC001206025306 813170278 /nfs/dbraw/zinc/17/02/78/813170278.db2.gz NLQSZTHURYEALL-KGLIPLIRSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c3ccoc3ccc2F)CCC[C@H]1C[NH3+] ZINC001206036680 813175294 /nfs/dbraw/zinc/17/52/94/813175294.db2.gz NOPYPUZKMIPAFP-OLZOCXBDSA-N 2 1 290.382 3.379 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)nc1C ZINC001206036369 813175647 /nfs/dbraw/zinc/17/56/47/813175647.db2.gz IWXRUHQGOCQJLI-OCCSQVGLSA-N 2 1 295.858 3.159 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C[C@H]1C ZINC001206109759 813202734 /nfs/dbraw/zinc/20/27/34/813202734.db2.gz GNUGILWQMVRRTB-LSDHHAIUSA-N 2 1 272.436 3.200 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)CC[C@H]1F ZINC001206157531 813218327 /nfs/dbraw/zinc/21/83/27/813218327.db2.gz ZMZOXDMQCQOTSF-IAGOWNOFSA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1F ZINC001206157531 813218332 /nfs/dbraw/zinc/21/83/32/813218332.db2.gz ZMZOXDMQCQOTSF-IAGOWNOFSA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccn3)cc2)CC[C@H]1F ZINC001206176370 813227706 /nfs/dbraw/zinc/22/77/06/813227706.db2.gz ZJOITFHVVQBPGB-SJORKVTESA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC[C@H]1F ZINC001206176370 813227711 /nfs/dbraw/zinc/22/77/11/813227711.db2.gz ZJOITFHVVQBPGB-SJORKVTESA-N 2 1 299.393 3.010 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206189827 813233559 /nfs/dbraw/zinc/23/35/59/813233559.db2.gz XQWYINRZJIEQFJ-SJORKVTESA-N 2 1 278.415 3.290 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)c1Cl ZINC001206209071 813241552 /nfs/dbraw/zinc/24/15/52/813241552.db2.gz ASOUOGXJDWPBGJ-ZIAGYGMSSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)c1Cl ZINC001206209071 813241557 /nfs/dbraw/zinc/24/15/57/813241557.db2.gz ASOUOGXJDWPBGJ-ZIAGYGMSSA-N 2 1 284.806 3.218 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206212955 813242224 /nfs/dbraw/zinc/24/22/24/813242224.db2.gz TZUGEFSGJXRBIE-KGLIPLIRSA-N 2 1 282.428 3.060 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc2ccccc21 ZINC001206257443 813258719 /nfs/dbraw/zinc/25/87/19/813258719.db2.gz FXIPADMWLAJNOV-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001206293266 813274831 /nfs/dbraw/zinc/27/48/31/813274831.db2.gz GXXRFNXULOGQOM-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206297254 813277024 /nfs/dbraw/zinc/27/70/24/813277024.db2.gz WZUJFFLHKSNMPV-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cnc1C1CC1 ZINC001206326510 813289922 /nfs/dbraw/zinc/28/99/22/813289922.db2.gz ONEMCLDZSODKKN-SFHVURJKSA-N 2 1 287.451 3.218 20 0 CGADMP Cc1noc2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc12 ZINC001206336660 813293621 /nfs/dbraw/zinc/29/36/21/813293621.db2.gz MPHKBSQQMDRBJI-QGZVFWFLSA-N 2 1 287.407 3.087 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206541748 813344734 /nfs/dbraw/zinc/34/47/34/813344734.db2.gz JKBJZHPGRYOAHE-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCc2ccccc2)C1 ZINC001206541017 813344900 /nfs/dbraw/zinc/34/49/00/813344900.db2.gz FEVASUULMNHWRN-KRWDZBQOSA-N 2 1 260.425 3.070 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC001206541891 813345609 /nfs/dbraw/zinc/34/56/09/813345609.db2.gz MRTFFMPGOFMIPC-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1F ZINC001206547741 813346216 /nfs/dbraw/zinc/34/62/16/813346216.db2.gz FUWFQIWPCNTKPO-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206549455 813349630 /nfs/dbraw/zinc/34/96/30/813349630.db2.gz NJMYZRFDWNAQML-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556896 813352574 /nfs/dbraw/zinc/35/25/74/813352574.db2.gz ZKJSINASVGRNFG-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206564905 813355111 /nfs/dbraw/zinc/35/51/11/813355111.db2.gz RBRODVDSMBFXQA-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP CSc1cc(C)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206564493 813355330 /nfs/dbraw/zinc/35/53/30/813355330.db2.gz OTFBIEAQMLANSH-MRXNPFEDSA-N 2 1 293.480 3.063 20 0 CGADMP CSc1cc(C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206564493 813355336 /nfs/dbraw/zinc/35/53/36/813355336.db2.gz OTFBIEAQMLANSH-MRXNPFEDSA-N 2 1 293.480 3.063 20 0 CGADMP CC(C)[N@@H+](C[C@@H]1CC=CCC1)[C@H]1CCC[NH2+]CC1 ZINC001206583736 813363790 /nfs/dbraw/zinc/36/37/90/813363790.db2.gz VYHBNIJTUIHCAN-CVEARBPZSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)[N@@H+](C[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]CC1 ZINC001206583739 813364299 /nfs/dbraw/zinc/36/42/99/813364299.db2.gz VYHBNIJTUIHCAN-JKSUJKDBSA-N 2 1 250.430 3.195 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206616513 813375050 /nfs/dbraw/zinc/37/50/50/813375050.db2.gz PTEOZNAYNFIRAU-AWEZNQCLSA-N 2 1 271.408 3.037 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)s1 ZINC001206623871 813378310 /nfs/dbraw/zinc/37/83/10/813378310.db2.gz PZRSDYKLNZCHHT-LLVKDONJSA-N 2 1 270.467 3.031 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640431 813383301 /nfs/dbraw/zinc/38/33/01/813383301.db2.gz JQUUEOQHLRRTOK-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP COc1ccc2oc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)cc2c1 ZINC001206770952 813432817 /nfs/dbraw/zinc/43/28/17/813432817.db2.gz VFXKFYHZJBGJFZ-OLZOCXBDSA-N 2 1 288.391 3.001 20 0 CGADMP Cc1nc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cs1 ZINC001206802027 813440409 /nfs/dbraw/zinc/44/04/09/813440409.db2.gz XAVNITALHURSCA-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1nc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cs1 ZINC001206802027 813440413 /nfs/dbraw/zinc/44/04/13/813440413.db2.gz XAVNITALHURSCA-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc2sccc21 ZINC001206806089 813441493 /nfs/dbraw/zinc/44/14/93/813441493.db2.gz FIZRPSQBRZWCCE-OLZOCXBDSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206806169 813441708 /nfs/dbraw/zinc/44/17/08/813441708.db2.gz FWYCKBYSNDUVAB-NWDGAFQWSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206806169 813441715 /nfs/dbraw/zinc/44/17/15/813441715.db2.gz FWYCKBYSNDUVAB-NWDGAFQWSA-N 2 1 284.806 3.347 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC1CCCCC1 ZINC001207262668 813525712 /nfs/dbraw/zinc/52/57/12/813525712.db2.gz QSGXYDYWOKZCCU-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP CC1=CC[C@H](CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1(C)C ZINC001207272632 813528374 /nfs/dbraw/zinc/52/83/74/813528374.db2.gz PSPGCYTXPPAZAG-IXDOHACOSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1(C)C ZINC001207272632 813528379 /nfs/dbraw/zinc/52/83/79/813528379.db2.gz PSPGCYTXPPAZAG-IXDOHACOSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1(C)C ZINC001207272632 813528385 /nfs/dbraw/zinc/52/83/85/813528385.db2.gz PSPGCYTXPPAZAG-IXDOHACOSA-N 2 1 276.468 3.252 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001207283583 813533313 /nfs/dbraw/zinc/53/33/13/813533313.db2.gz ANPAARQSDBIMKP-INIZCTEOSA-N 2 1 275.440 3.196 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001207283583 813533319 /nfs/dbraw/zinc/53/33/19/813533319.db2.gz ANPAARQSDBIMKP-INIZCTEOSA-N 2 1 275.440 3.196 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC2(C1)CCCCC2 ZINC001207284108 813535412 /nfs/dbraw/zinc/53/54/12/813535412.db2.gz ITKNWRTWAZQPTO-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC001207399857 813557127 /nfs/dbraw/zinc/55/71/27/813557127.db2.gz WXVRKYTYBWZFHD-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207398845 813557396 /nfs/dbraw/zinc/55/73/96/813557396.db2.gz QSLUFBUBQGWCTC-CQSZACIVSA-N 2 1 276.424 3.030 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001207486252 813573418 /nfs/dbraw/zinc/57/34/18/813573418.db2.gz FJZXFOOBUUTJMZ-QGZVFWFLSA-N 2 1 290.426 3.347 20 0 CGADMP C[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)CCC1(F)F ZINC001208106404 813693059 /nfs/dbraw/zinc/69/30/59/813693059.db2.gz FAEGVYLJDVJZQD-ZDUSSCGKSA-N 2 1 274.399 3.086 20 0 CGADMP C[C@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1C ZINC001208105736 813693158 /nfs/dbraw/zinc/69/31/58/813693158.db2.gz BEJVEBROFSJQAH-LSDHHAIUSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108687 813694346 /nfs/dbraw/zinc/69/43/46/813694346.db2.gz YUICAFKHBXVCME-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001208172650 813726979 /nfs/dbraw/zinc/72/69/79/813726979.db2.gz ZLHFAJJCJHLNOE-SJLPKXTDSA-N 2 1 288.479 3.397 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCc2cccc(F)c2)CC1 ZINC001208197307 813741116 /nfs/dbraw/zinc/74/11/16/813741116.db2.gz JYXOOTJXIWDZNB-UHFFFAOYSA-N 2 1 292.442 3.420 20 0 CGADMP CCCCC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208605835 813771502 /nfs/dbraw/zinc/77/15/02/813771502.db2.gz BHZUWXNLFWHFMK-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208612083 813772860 /nfs/dbraw/zinc/77/28/60/813772860.db2.gz ANILYHGZMPBMQK-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208612083 813772863 /nfs/dbraw/zinc/77/28/63/813772863.db2.gz ANILYHGZMPBMQK-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208612083 813772867 /nfs/dbraw/zinc/77/28/67/813772867.db2.gz ANILYHGZMPBMQK-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208612083 813772868 /nfs/dbraw/zinc/77/28/68/813772868.db2.gz ANILYHGZMPBMQK-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208612084 813773987 /nfs/dbraw/zinc/77/39/87/813773987.db2.gz ANILYHGZMPBMQK-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208612084 813773992 /nfs/dbraw/zinc/77/39/92/813773992.db2.gz ANILYHGZMPBMQK-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208612084 813773997 /nfs/dbraw/zinc/77/39/97/813773997.db2.gz ANILYHGZMPBMQK-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208612084 813774003 /nfs/dbraw/zinc/77/40/03/813774003.db2.gz ANILYHGZMPBMQK-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1ccccc1[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208607066 813774473 /nfs/dbraw/zinc/77/44/73/813774473.db2.gz ILYZZILVSAWXKB-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208607066 813774478 /nfs/dbraw/zinc/77/44/78/813774478.db2.gz ILYZZILVSAWXKB-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208607066 813774482 /nfs/dbraw/zinc/77/44/82/813774482.db2.gz ILYZZILVSAWXKB-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208607066 813774485 /nfs/dbraw/zinc/77/44/85/813774485.db2.gz ILYZZILVSAWXKB-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612643 813775487 /nfs/dbraw/zinc/77/54/87/813775487.db2.gz MYYNSJZJPMKPRG-GDBMZVCRSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612643 813775493 /nfs/dbraw/zinc/77/54/93/813775493.db2.gz MYYNSJZJPMKPRG-GDBMZVCRSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612643 813775494 /nfs/dbraw/zinc/77/54/94/813775494.db2.gz MYYNSJZJPMKPRG-GDBMZVCRSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@H](CC[N@H+]1CCc2[nH+]ccn2CC1)CC(C)(C)C ZINC001208664485 813787923 /nfs/dbraw/zinc/78/79/23/813787923.db2.gz MYVWDHNTZPWYMS-CQSZACIVSA-N 2 1 263.429 3.204 20 0 CGADMP C[C@H](CC[N@@H+]1CCc2[nH+]ccn2CC1)CC(C)(C)C ZINC001208664485 813787928 /nfs/dbraw/zinc/78/79/28/813787928.db2.gz MYVWDHNTZPWYMS-CQSZACIVSA-N 2 1 263.429 3.204 20 0 CGADMP C[N@H+](CCCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001208870755 813874441 /nfs/dbraw/zinc/87/44/41/813874441.db2.gz CIOFJAJUYNJDLH-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP C[N@@H+](CCCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001208870755 813874446 /nfs/dbraw/zinc/87/44/46/813874446.db2.gz CIOFJAJUYNJDLH-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930426 813904637 /nfs/dbraw/zinc/90/46/37/813904637.db2.gz BDEWQYIMWPPXLI-NXHRZFHOSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930426 813904642 /nfs/dbraw/zinc/90/46/42/813904642.db2.gz BDEWQYIMWPPXLI-NXHRZFHOSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@H](F)C[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930426 813904648 /nfs/dbraw/zinc/90/46/48/813904648.db2.gz BDEWQYIMWPPXLI-NXHRZFHOSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@H](F)C[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930426 813904653 /nfs/dbraw/zinc/90/46/53/813904653.db2.gz BDEWQYIMWPPXLI-NXHRZFHOSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947435 813908330 /nfs/dbraw/zinc/90/83/30/813908330.db2.gz JZBORVBNBRDVPM-FUHWJXTLSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947435 813908335 /nfs/dbraw/zinc/90/83/35/813908335.db2.gz JZBORVBNBRDVPM-FUHWJXTLSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947435 813908341 /nfs/dbraw/zinc/90/83/41/813908341.db2.gz JZBORVBNBRDVPM-FUHWJXTLSA-N 2 1 272.436 3.240 20 0 CGADMP F[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208945305 813908477 /nfs/dbraw/zinc/90/84/77/813908477.db2.gz BTEGSDXMFNPEBY-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208945305 813908478 /nfs/dbraw/zinc/90/84/78/813908478.db2.gz BTEGSDXMFNPEBY-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208945305 813908479 /nfs/dbraw/zinc/90/84/79/813908479.db2.gz BTEGSDXMFNPEBY-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208945305 813908482 /nfs/dbraw/zinc/90/84/82/813908482.db2.gz BTEGSDXMFNPEBY-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208964352 813910098 /nfs/dbraw/zinc/91/00/98/813910098.db2.gz QVFONUZIRFAGFK-AEFFLSMTSA-N 2 1 272.436 3.240 20 0 CGADMP CC[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208964352 813910099 /nfs/dbraw/zinc/91/00/99/813910099.db2.gz QVFONUZIRFAGFK-AEFFLSMTSA-N 2 1 272.436 3.240 20 0 CGADMP CC[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208964352 813910104 /nfs/dbraw/zinc/91/01/04/813910104.db2.gz QVFONUZIRFAGFK-AEFFLSMTSA-N 2 1 272.436 3.240 20 0 CGADMP CC[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208964353 813910154 /nfs/dbraw/zinc/91/01/54/813910154.db2.gz QVFONUZIRFAGFK-SJLPKXTDSA-N 2 1 272.436 3.240 20 0 CGADMP CC[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208964353 813910158 /nfs/dbraw/zinc/91/01/58/813910158.db2.gz QVFONUZIRFAGFK-SJLPKXTDSA-N 2 1 272.436 3.240 20 0 CGADMP CC[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208964353 813910163 /nfs/dbraw/zinc/91/01/63/813910163.db2.gz QVFONUZIRFAGFK-SJLPKXTDSA-N 2 1 272.436 3.240 20 0 CGADMP CCOC(C)(C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209075982 813927597 /nfs/dbraw/zinc/92/75/97/813927597.db2.gz ADWQBQKZNWKWTK-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP CCOC(C)(C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209075982 813927598 /nfs/dbraw/zinc/92/75/98/813927598.db2.gz ADWQBQKZNWKWTK-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP CCOC(C)(C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001209075982 813927604 /nfs/dbraw/zinc/92/76/04/813927604.db2.gz ADWQBQKZNWKWTK-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP CC[N@@H+](Cc1c[nH]c2cc(F)ccc12)C1CCN(C)CC1 ZINC001209693250 814113624 /nfs/dbraw/zinc/11/36/24/814113624.db2.gz SKSFFLKPRZDOJQ-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC001222149012 816359857 /nfs/dbraw/zinc/35/98/57/816359857.db2.gz UXFSLVOEDJMDIG-LJQANCHMSA-N 2 1 296.414 3.121 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154482 816363248 /nfs/dbraw/zinc/36/32/48/816363248.db2.gz NQVDTRSSYCLIKE-QGZVFWFLSA-N 2 1 290.476 3.374 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@]23CCC[NH2+]C3)C1(C)C ZINC001222191795 816372609 /nfs/dbraw/zinc/37/26/09/816372609.db2.gz PCFXXFNHSQGATN-RDJZCZTQSA-N 2 1 262.441 3.197 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@]23CCC[NH2+]C3)C1(C)C ZINC001222191795 816372618 /nfs/dbraw/zinc/37/26/18/816372618.db2.gz PCFXXFNHSQGATN-RDJZCZTQSA-N 2 1 262.441 3.197 20 0 CGADMP CCc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)s1 ZINC001222297623 816400258 /nfs/dbraw/zinc/40/02/58/816400258.db2.gz IYERUYJMGDJLDZ-UHFFFAOYSA-N 2 1 278.465 3.419 20 0 CGADMP Clc1ccc(CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222309237 816403548 /nfs/dbraw/zinc/40/35/48/816403548.db2.gz ORVPFYBGTCWGKM-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222426656 816442816 /nfs/dbraw/zinc/44/28/16/816442816.db2.gz HKTQYMGSHIILOT-KRWDZBQOSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222426656 816442821 /nfs/dbraw/zinc/44/28/21/816442821.db2.gz HKTQYMGSHIILOT-KRWDZBQOSA-N 2 1 258.409 3.021 20 0 CGADMP CCOC(=[NH2+])CCCCOC1CC[NH+](C(C)C)CC1 ZINC001224964096 816918336 /nfs/dbraw/zinc/91/83/36/816918336.db2.gz SZGOEKTXYJYFAK-UHFFFAOYSA-N 2 1 270.417 3.060 20 0 CGADMP CCOc1cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)ccc1C ZINC001228555625 817936630 /nfs/dbraw/zinc/93/66/30/817936630.db2.gz GFEMHLAADLJGLE-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCc2ccccc2C1 ZINC001232010773 818233667 /nfs/dbraw/zinc/23/36/67/818233667.db2.gz ACCWQCALEAKWLU-UHFFFAOYSA-N 2 1 263.344 3.121 20 0 CGADMP c1c(C[N@@H+]2CCOC[C@H]2C2CCCCC2)[nH]c2cc[nH+]cc12 ZINC001232018849 818235883 /nfs/dbraw/zinc/23/58/83/818235883.db2.gz PGQNPSQDKHJHNH-SFHVURJKSA-N 2 1 299.418 3.344 20 0 CGADMP c1c(C[N@H+]2CCOC[C@H]2C2CCCCC2)[nH]c2cc[nH+]cc12 ZINC001232018849 818235891 /nfs/dbraw/zinc/23/58/91/818235891.db2.gz PGQNPSQDKHJHNH-SFHVURJKSA-N 2 1 299.418 3.344 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC3(CCC3)C2)c1 ZINC001232146403 818264669 /nfs/dbraw/zinc/26/46/69/818264669.db2.gz PQUXNTLBIHBQMR-UHFFFAOYSA-N 2 1 276.399 3.263 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1cccc2ncsc21 ZINC001232736740 818428695 /nfs/dbraw/zinc/42/86/95/818428695.db2.gz OUXYNFUMEPYFMA-UHFFFAOYSA-N 2 1 286.404 3.015 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(F)cc1F ZINC001232781913 818437524 /nfs/dbraw/zinc/43/75/24/818437524.db2.gz CUDQLUVPPBHHIV-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP COc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1-n1ccnc1 ZINC001234065934 818771399 /nfs/dbraw/zinc/77/13/99/818771399.db2.gz HWSNEVHLYYHJRJ-UHFFFAOYSA-N 2 1 297.402 3.257 20 0 CGADMP Cc1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cccc1-c1ccccc1 ZINC001234978623 818968070 /nfs/dbraw/zinc/96/80/70/818968070.db2.gz BBHDPGHCEUMLST-KDURUIRLSA-N 2 1 292.426 3.313 20 0 CGADMP Oc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001234993837 818972469 /nfs/dbraw/zinc/97/24/69/818972469.db2.gz RYJYHOPGCYRIAN-IBGZPJMESA-N 2 1 296.414 3.121 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235001669 818973923 /nfs/dbraw/zinc/97/39/23/818973923.db2.gz UQDKOULORBFAGA-IBGZPJMESA-N 2 1 286.463 3.461 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235005726 818975813 /nfs/dbraw/zinc/97/58/13/818975813.db2.gz YFXIZOCASAIDQC-JYJNAYRXSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235005726 818975818 /nfs/dbraw/zinc/97/58/18/818975818.db2.gz YFXIZOCASAIDQC-JYJNAYRXSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001235007932 818978171 /nfs/dbraw/zinc/97/81/71/818978171.db2.gz SLNRRTQGDDFRGJ-URLQWDBASA-N 2 1 280.415 3.237 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001235007932 818978175 /nfs/dbraw/zinc/97/81/75/818978175.db2.gz SLNRRTQGDDFRGJ-URLQWDBASA-N 2 1 280.415 3.237 20 0 CGADMP Cc1csc2sc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c(C)c12 ZINC001235029872 818982798 /nfs/dbraw/zinc/98/27/98/818982798.db2.gz BJLWNPRRNLVPDQ-NWDGAFQWSA-N 2 1 292.473 3.373 20 0 CGADMP Cc1csc2sc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c(C)c12 ZINC001235029872 818982804 /nfs/dbraw/zinc/98/28/04/818982804.db2.gz BJLWNPRRNLVPDQ-NWDGAFQWSA-N 2 1 292.473 3.373 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235031660 818984754 /nfs/dbraw/zinc/98/47/54/818984754.db2.gz NFHCRMJISBWJFS-IBGZPJMESA-N 2 1 280.415 3.334 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112145 819006659 /nfs/dbraw/zinc/00/66/59/819006659.db2.gz WUQLTUCPMKIZIR-QGZUEGPWSA-N 2 1 250.430 3.341 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112145 819006663 /nfs/dbraw/zinc/00/66/63/819006663.db2.gz WUQLTUCPMKIZIR-QGZUEGPWSA-N 2 1 250.430 3.341 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112199 819006953 /nfs/dbraw/zinc/00/69/53/819006953.db2.gz YLXNEDTYAPQBKZ-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112199 819006957 /nfs/dbraw/zinc/00/69/57/819006957.db2.gz YLXNEDTYAPQBKZ-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP c1ccc(CCCC[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235141251 819015288 /nfs/dbraw/zinc/01/52/88/819015288.db2.gz QDKVJAQORXVXFT-UHFFFAOYSA-N 2 1 272.436 3.227 20 0 CGADMP COc1ccccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155964 819017655 /nfs/dbraw/zinc/01/76/55/819017655.db2.gz YXJDHODQYQDXQJ-KRWDZBQOSA-N 2 1 288.435 3.049 20 0 CGADMP c1ccc2c(c1)CCC21CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC001235151978 819017871 /nfs/dbraw/zinc/01/78/71/819017871.db2.gz KWZFWXLBVVNUHC-QGZVFWFLSA-N 2 1 284.447 3.109 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c1)NCC2 ZINC001235154612 819018141 /nfs/dbraw/zinc/01/81/41/819018141.db2.gz IREZRGWBAWVBKS-GOSISDBHSA-N 2 1 299.462 3.009 20 0 CGADMP c1ccc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235154283 819018468 /nfs/dbraw/zinc/01/84/68/819018468.db2.gz VTQULJKVTWCRBW-GOSISDBHSA-N 2 1 272.436 3.083 20 0 CGADMP CC/C=C\CCCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235188181 819028244 /nfs/dbraw/zinc/02/82/44/819028244.db2.gz KYIKNMABAYZVBU-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235188181 819028248 /nfs/dbraw/zinc/02/82/48/819028248.db2.gz KYIKNMABAYZVBU-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1ccc(Oc2cccc(C[N@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235211018 819037309 /nfs/dbraw/zinc/03/73/09/819037309.db2.gz SPYYXQDHHRVIIG-BWTSREIZSA-N 2 1 294.398 3.176 20 0 CGADMP Cc1ccc(Oc2cccc(C[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235211018 819037313 /nfs/dbraw/zinc/03/73/13/819037313.db2.gz SPYYXQDHHRVIIG-BWTSREIZSA-N 2 1 294.398 3.176 20 0 CGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001235224791 819039961 /nfs/dbraw/zinc/03/99/61/819039961.db2.gz OIJHONHOVFKCAZ-KBPBESRZSA-N 2 1 290.373 3.041 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235253100 819050147 /nfs/dbraw/zinc/05/01/47/819050147.db2.gz BUWIFPVMGMIVBM-JYJNAYRXSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235254483 819051463 /nfs/dbraw/zinc/05/14/63/819051463.db2.gz JHMANTQPDFOFOP-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235263233 819057292 /nfs/dbraw/zinc/05/72/92/819057292.db2.gz SYVJUCPBJBTTAZ-HFZJXRFXSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235273343 819059930 /nfs/dbraw/zinc/05/99/30/819059930.db2.gz RHVXDVXXHMQNTJ-QFBILLFUSA-N 2 1 280.415 3.332 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272571 819060152 /nfs/dbraw/zinc/06/01/52/819060152.db2.gz QISVLXZKODVZCF-WBVHZDCISA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272571 819060160 /nfs/dbraw/zinc/06/01/60/819060160.db2.gz QISVLXZKODVZCF-WBVHZDCISA-N 2 1 288.435 3.048 20 0 CGADMP Cc1cnc(F)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001235334115 819069670 /nfs/dbraw/zinc/06/96/70/819069670.db2.gz JCLMXJLOOACQTA-UHFFFAOYSA-N 2 1 293.430 3.081 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235336776 819070478 /nfs/dbraw/zinc/07/04/78/819070478.db2.gz AHUSQSAHHJAPOD-HZPDHXFCSA-N 2 1 264.457 3.300 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](C[C@@H]2CC=CCC2)C3)cc1 ZINC001235348131 819074712 /nfs/dbraw/zinc/07/47/12/819074712.db2.gz ANLVTOGTFVPATP-MISYRCLQSA-N 2 1 296.458 3.422 20 0 CGADMP CC(C)(C)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377830 819081466 /nfs/dbraw/zinc/08/14/66/819081466.db2.gz DUXZFECBFFBHKK-AEFFLSMTSA-N 2 1 272.436 3.112 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235401424 819085422 /nfs/dbraw/zinc/08/54/22/819085422.db2.gz GOKYVKNJUVVXFY-MSOLQXFVSA-N 2 1 288.410 3.088 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424806 819092499 /nfs/dbraw/zinc/09/24/99/819092499.db2.gz JWBYPJXLZLCNPF-SJORKVTESA-N 2 1 297.446 3.380 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424855 819093088 /nfs/dbraw/zinc/09/30/88/819093088.db2.gz KWBGAJWFGLVEDQ-ARFHVFGLSA-N 2 1 252.446 3.134 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427727 819094155 /nfs/dbraw/zinc/09/41/55/819094155.db2.gz SZPFVGDYBFZYGO-NMBNSIPYSA-N 2 1 264.457 3.444 20 0 CGADMP Fc1ccccc1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428988 819094725 /nfs/dbraw/zinc/09/47/25/819094725.db2.gz WBGHMSSIBZYNCZ-IAGOWNOFSA-N 2 1 290.426 3.080 20 0 CGADMP CC(C)c1cc(Br)ccc1C[N@@H+](C)CCC[NH3+] ZINC001235435505 819098498 /nfs/dbraw/zinc/09/84/98/819098498.db2.gz MSVUGIMXSJCTMW-UHFFFAOYSA-N 2 1 299.256 3.353 20 0 CGADMP C[C@H]1CCCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235661344 819132191 /nfs/dbraw/zinc/13/21/91/819132191.db2.gz LZXHBKBCKNBDID-AWEZNQCLSA-N 2 1 258.409 3.097 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235672301 819133271 /nfs/dbraw/zinc/13/32/71/819133271.db2.gz ALYLHKYLZGTGEV-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235667228 819133857 /nfs/dbraw/zinc/13/38/57/819133857.db2.gz WGLJXGMUAIHZQE-ZWKOTPCHSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235673522 819133874 /nfs/dbraw/zinc/13/38/74/819133874.db2.gz BPQPFDBWXDASQL-MRXNPFEDSA-N 2 1 290.451 3.261 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cc2)o1 ZINC001235675193 819134774 /nfs/dbraw/zinc/13/47/74/819134774.db2.gz KLDHTXUGYFFSEL-INIZCTEOSA-N 2 1 284.403 3.426 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235675311 819135730 /nfs/dbraw/zinc/13/57/30/819135730.db2.gz VNRVEKUYMYOSRL-RBUKOAKNSA-N 2 1 286.463 3.331 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001235679796 819138253 /nfs/dbraw/zinc/13/82/53/819138253.db2.gz XNUFRJVNSQBENX-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP c1ccc(O[C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235689841 819142223 /nfs/dbraw/zinc/14/22/23/819142223.db2.gz DFZUGVGCYJLYKY-FUHWJXTLSA-N 2 1 288.435 3.062 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(c3cccs3)CC2)CO1 ZINC001235692023 819144078 /nfs/dbraw/zinc/14/40/78/819144078.db2.gz NBXMWJJEUZEEJF-AWEZNQCLSA-N 2 1 294.464 3.042 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711553 819148170 /nfs/dbraw/zinc/14/81/70/819148170.db2.gz QSQZNHFZLQLSJT-MRXNPFEDSA-N 2 1 264.457 3.444 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]CC1 ZINC001235713954 819148442 /nfs/dbraw/zinc/14/84/42/819148442.db2.gz IGESTZSCRSZGLQ-MRXNPFEDSA-N 2 1 294.389 3.491 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(C)c1 ZINC001235717328 819149647 /nfs/dbraw/zinc/14/96/47/819149647.db2.gz RARLVVFJQKMMOZ-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP C[N@@H+](CCCc1ccccc1F)CCC1CC[NH2+]CC1 ZINC001235715944 819150639 /nfs/dbraw/zinc/15/06/39/819150639.db2.gz YTMYOABRNWPRMI-UHFFFAOYSA-N 2 1 278.415 3.080 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001235789245 819167929 /nfs/dbraw/zinc/16/79/29/819167929.db2.gz NLSGAICOQNKRJA-UHFFFAOYSA-N 2 1 292.426 3.442 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235819798 819173823 /nfs/dbraw/zinc/17/38/23/819173823.db2.gz IMHSMARPDUEJPM-LSDHHAIUSA-N 2 1 297.446 3.365 20 0 CGADMP C[Si](C)(C)C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235824866 819176730 /nfs/dbraw/zinc/17/67/30/819176730.db2.gz CPQFLJJKIJLYPH-KRWDZBQOSA-N 2 1 290.527 3.366 20 0 CGADMP FC1(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC001235824890 819177008 /nfs/dbraw/zinc/17/70/08/819177008.db2.gz CTXJAXMVKQGGDB-ZDUSSCGKSA-N 2 1 296.817 3.221 20 0 CGADMP C[N@H+](CCc1ccccc1Cl)CC[C@H]1CCCC[NH2+]1 ZINC001235839477 819182043 /nfs/dbraw/zinc/18/20/43/819182043.db2.gz SRQILSACRSBLID-OAHLLOKOSA-N 2 1 280.843 3.347 20 0 CGADMP C[N@H+](CCc1cccc(Cl)c1)CC[C@@H]1CCCC[NH2+]1 ZINC001235839015 819182698 /nfs/dbraw/zinc/18/26/98/819182698.db2.gz GWXMBEAXXLJHQE-INIZCTEOSA-N 2 1 280.843 3.347 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]3CCCC[C@@H]31)CC[NH2+]C2 ZINC001235868151 819190601 /nfs/dbraw/zinc/19/06/01/819190601.db2.gz VBRJWNFLEZESHH-LPHOPBHVSA-N 2 1 284.447 3.487 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001235892227 819202057 /nfs/dbraw/zinc/20/20/57/819202057.db2.gz MZHHZKCXDSFHAM-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001235892227 819202059 /nfs/dbraw/zinc/20/20/59/819202059.db2.gz MZHHZKCXDSFHAM-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP Cc1c(C)c(C[N@H+]2CCC[C@H]2CC[NH3+])ccc1Cl ZINC001235925890 819224300 /nfs/dbraw/zinc/22/43/00/819224300.db2.gz QTBUPCUMQVESAD-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925699 819225361 /nfs/dbraw/zinc/22/53/61/819225361.db2.gz XUOCWZOFHBQBKC-HNNXBMFYSA-N 2 1 296.842 3.440 20 0 CGADMP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925699 819225364 /nfs/dbraw/zinc/22/53/64/819225364.db2.gz XUOCWZOFHBQBKC-HNNXBMFYSA-N 2 1 296.842 3.440 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c1Br ZINC001235925246 819225532 /nfs/dbraw/zinc/22/55/32/819225532.db2.gz MOJISMHQUKQKIQ-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]2CC[NH3+])c1Br ZINC001235925246 819225535 /nfs/dbraw/zinc/22/55/35/819225535.db2.gz MOJISMHQUKQKIQ-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929116 819228243 /nfs/dbraw/zinc/22/82/43/819228243.db2.gz IFTGXLLVMVDFFA-ZBHMHGNTSA-N 2 1 288.479 3.134 20 0 CGADMP c1csc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235935449 819233308 /nfs/dbraw/zinc/23/33/08/819233308.db2.gz DQDSDGWRJWOCSO-IAGOWNOFSA-N 2 1 298.455 3.456 20 0 CGADMP Fc1ccc([C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001235949319 819239461 /nfs/dbraw/zinc/23/94/61/819239461.db2.gz DSMHDZSIUDVIPF-INIZCTEOSA-N 2 1 276.399 3.005 20 0 CGADMP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CC1(C)C ZINC001235959611 819247247 /nfs/dbraw/zinc/24/72/47/819247247.db2.gz YSZPEUARHLSZRT-INIZCTEOSA-N 2 1 297.446 3.222 20 0 CGADMP FC1(C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC[NH2+]CC1 ZINC001235960181 819247312 /nfs/dbraw/zinc/24/73/12/819247312.db2.gz PLSTZFIWLYNJMT-KRWDZBQOSA-N 2 1 290.426 3.348 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235959792 819247543 /nfs/dbraw/zinc/24/75/43/819247543.db2.gz KKLJPXGHVVTNEQ-VMPITWQZSA-N 2 1 284.447 3.411 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235960531 819249809 /nfs/dbraw/zinc/24/98/09/819249809.db2.gz YULSPGZBJLVZDE-SCAQPMJSSA-N 2 1 272.436 3.153 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC001235962919 819250760 /nfs/dbraw/zinc/25/07/60/819250760.db2.gz RHEPWDWIWOMAJV-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP [NH3+]CCCCCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001235963262 819251811 /nfs/dbraw/zinc/25/18/11/819251811.db2.gz RDEYJYHTGHKZBY-UHFFFAOYSA-N 2 1 258.409 3.295 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989716 819262704 /nfs/dbraw/zinc/26/27/04/819262704.db2.gz JOTNJSOTRHKKHT-LPHOPBHVSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989716 819262709 /nfs/dbraw/zinc/26/27/09/819262709.db2.gz JOTNJSOTRHKKHT-LPHOPBHVSA-N 2 1 296.389 3.416 20 0 CGADMP CC[N@H+](Cc1cccc2nccc(C)c12)[C@H]1CCC[NH2+]C1 ZINC001236008694 819271868 /nfs/dbraw/zinc/27/18/68/819271868.db2.gz ISTPZRULKXLRCE-INIZCTEOSA-N 2 1 283.419 3.117 20 0 CGADMP CC[N@@H+](Cc1cccc2nccc(C)c12)[C@H]1CCC[NH2+]C1 ZINC001236008694 819271872 /nfs/dbraw/zinc/27/18/72/819271872.db2.gz ISTPZRULKXLRCE-INIZCTEOSA-N 2 1 283.419 3.117 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236046457 819283580 /nfs/dbraw/zinc/28/35/80/819283580.db2.gz GQRAWUXJDLYJDJ-WCQYABFASA-N 2 1 274.433 3.379 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236046457 819283586 /nfs/dbraw/zinc/28/35/86/819283586.db2.gz GQRAWUXJDLYJDJ-WCQYABFASA-N 2 1 274.433 3.379 20 0 CGADMP c1ccc(C2(C[N@@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)CCCC2)cc1 ZINC001236060902 819293653 /nfs/dbraw/zinc/29/36/53/819293653.db2.gz TVULJLXQDDXEMV-WMZOPIPTSA-N 2 1 284.447 3.182 20 0 CGADMP c1ccc(C2(C[N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)CCCC2)cc1 ZINC001236060902 819293657 /nfs/dbraw/zinc/29/36/57/819293657.db2.gz TVULJLXQDDXEMV-WMZOPIPTSA-N 2 1 284.447 3.182 20 0 CGADMP CC[N@@H+](Cc1cccs1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236088741 819309532 /nfs/dbraw/zinc/30/95/32/819309532.db2.gz IMMVXUHVBSUTMS-DGCLKSJQSA-N 2 1 288.407 3.061 20 0 CGADMP CC[N@H+](Cc1cccs1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236088741 819309536 /nfs/dbraw/zinc/30/95/36/819309536.db2.gz IMMVXUHVBSUTMS-DGCLKSJQSA-N 2 1 288.407 3.061 20 0 CGADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001236097584 819316012 /nfs/dbraw/zinc/31/60/12/819316012.db2.gz LDRHBXCDOBLNIS-SJORKVTESA-N 2 1 288.435 3.017 20 0 CGADMP CCC[N@@H+](Cc1cccc2occc21)C1CC[NH2+]CC1 ZINC001236183933 819360922 /nfs/dbraw/zinc/36/09/22/819360922.db2.gz CDVMEANKRLHKLF-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP C[N@H+](Cc1ccc(O)c2ccccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236207361 819370940 /nfs/dbraw/zinc/37/09/40/819370940.db2.gz NJSXAYXRSZYRMM-GOSISDBHSA-N 2 1 284.403 3.119 20 0 CGADMP C[N@@H+](Cc1ccc(O)c2ccccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236207361 819370948 /nfs/dbraw/zinc/37/09/48/819370948.db2.gz NJSXAYXRSZYRMM-GOSISDBHSA-N 2 1 284.403 3.119 20 0 CGADMP C[N@H+](Cc1cc(O)cc2ccccc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214617 819375811 /nfs/dbraw/zinc/37/58/11/819375811.db2.gz GOHIMLIKBBPQDO-QZTJIDSGSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@@H+](Cc1cc(O)cc2ccccc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214617 819375816 /nfs/dbraw/zinc/37/58/16/819375816.db2.gz GOHIMLIKBBPQDO-QZTJIDSGSA-N 2 1 284.403 3.247 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)s1 ZINC001236215356 819377750 /nfs/dbraw/zinc/37/77/50/819377750.db2.gz HDZINGQSAXLHBQ-ZIAGYGMSSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)s1 ZINC001236215356 819377755 /nfs/dbraw/zinc/37/77/55/819377755.db2.gz HDZINGQSAXLHBQ-ZIAGYGMSSA-N 2 1 252.427 3.067 20 0 CGADMP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC001236214728 819378247 /nfs/dbraw/zinc/37/82/47/819378247.db2.gz UZIZTEMUYPEILL-HOTGVXAUSA-N 2 1 276.424 3.014 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC001236214728 819378252 /nfs/dbraw/zinc/37/82/52/819378252.db2.gz UZIZTEMUYPEILL-HOTGVXAUSA-N 2 1 276.424 3.014 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215864 819380388 /nfs/dbraw/zinc/38/03/88/819380388.db2.gz IQEKDWHYUQBBTG-JKSUJKDBSA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215864 819380393 /nfs/dbraw/zinc/38/03/93/819380393.db2.gz IQEKDWHYUQBBTG-JKSUJKDBSA-N 2 1 264.388 3.144 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(F)cc2OC)CC1 ZINC001236216510 819381076 /nfs/dbraw/zinc/38/10/76/819381076.db2.gz PGJDIHDVTFLMEM-UHFFFAOYSA-N 2 1 294.414 3.105 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236218788 819384326 /nfs/dbraw/zinc/38/43/26/819384326.db2.gz UCKFJOVGZGIALC-SJORKVTESA-N 2 1 276.424 3.176 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236218788 819384333 /nfs/dbraw/zinc/38/43/33/819384333.db2.gz UCKFJOVGZGIALC-SJORKVTESA-N 2 1 276.424 3.176 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C)C2(C)CC[NH2+]CC2)CC1 ZINC001236223473 819388985 /nfs/dbraw/zinc/38/89/85/819388985.db2.gz NSMHQGHCZOJJLY-LSDHHAIUSA-N 2 1 250.430 3.053 20 0 CGADMP C[N@@H+](CCCc1ccccc1Cl)C1(C)CC[NH2+]CC1 ZINC001236224098 819389162 /nfs/dbraw/zinc/38/91/62/819389162.db2.gz RLAAOKBERGGOPN-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)Cc1cccc(C[NH3+])c1 ZINC001236302838 819416307 /nfs/dbraw/zinc/41/63/07/819416307.db2.gz ICPJWTIUYRYNMK-UHFFFAOYSA-N 2 1 298.430 3.219 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236314969 819421005 /nfs/dbraw/zinc/42/10/05/819421005.db2.gz JEEJONXJHJOYKM-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP c1c2ccccc2sc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315546 819422170 /nfs/dbraw/zinc/42/21/70/819422170.db2.gz KVZQXAAJNTXWGO-GASCZTMLSA-N 2 1 286.444 3.333 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320224 819424044 /nfs/dbraw/zinc/42/40/44/819424044.db2.gz MYZQABSADNXIOL-CALCHBBNSA-N 2 1 286.463 3.416 20 0 CGADMP COCC[N@H+](CC[C@H](C)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236329865 819427602 /nfs/dbraw/zinc/42/76/02/819427602.db2.gz STQBJSAWTZFNCM-JKSUJKDBSA-N 2 1 284.488 3.149 20 0 CGADMP COCC[N@@H+](CC[C@H](C)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236329865 819427607 /nfs/dbraw/zinc/42/76/07/819427607.db2.gz STQBJSAWTZFNCM-JKSUJKDBSA-N 2 1 284.488 3.149 20 0 CGADMP CCCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372690 819441172 /nfs/dbraw/zinc/44/11/72/819441172.db2.gz SSYRGASRSXYXOT-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H]1C[C@H]1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236379644 819443020 /nfs/dbraw/zinc/44/30/20/819443020.db2.gz DOAWPOVMKPRVGE-YOEHRIQHSA-N 2 1 290.426 3.283 20 0 CGADMP CC[N@@H+](CCCCCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236407555 819454300 /nfs/dbraw/zinc/45/43/00/819454300.db2.gz GSUCUVMNWYAZHK-SFHVURJKSA-N 2 1 274.452 3.331 20 0 CGADMP CC[N@H+](Cc1cc(Cl)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236410408 819457345 /nfs/dbraw/zinc/45/73/45/819457345.db2.gz ZWOAWLVTSALTBW-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001236417170 819463357 /nfs/dbraw/zinc/46/33/57/819463357.db2.gz XLQSQEGQCRXRHL-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001236417170 819463361 /nfs/dbraw/zinc/46/33/61/819463361.db2.gz XLQSQEGQCRXRHL-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001236429490 819474964 /nfs/dbraw/zinc/47/49/64/819474964.db2.gz ZNSRROMLCIGYBY-WMZOPIPTSA-N 2 1 272.436 3.440 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599269 819548321 /nfs/dbraw/zinc/54/83/21/819548321.db2.gz BDNYERBZPVNTGR-CYBMUJFWSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599269 819548327 /nfs/dbraw/zinc/54/83/27/819548327.db2.gz BDNYERBZPVNTGR-CYBMUJFWSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)c1C ZINC001236603653 819550227 /nfs/dbraw/zinc/55/02/27/819550227.db2.gz BNMZHECBQMZSOW-GOSISDBHSA-N 2 1 274.452 3.399 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236604177 819550992 /nfs/dbraw/zinc/55/09/92/819550992.db2.gz JGPAYVMWQWMKKX-HZPDHXFCSA-N 2 1 252.446 3.430 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236616476 819554096 /nfs/dbraw/zinc/55/40/96/819554096.db2.gz NTZXVSXJWYYYHW-GOSISDBHSA-N 2 1 290.451 3.261 20 0 CGADMP c1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc2c1CCC2 ZINC001236634438 819556785 /nfs/dbraw/zinc/55/67/85/819556785.db2.gz SIPPNILAYRDTBQ-UHFFFAOYSA-N 2 1 284.447 3.282 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc3sccc31)C2 ZINC001236685205 819571547 /nfs/dbraw/zinc/57/15/47/819571547.db2.gz ZCCYNWMISHARPE-RHSMWYFYSA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc3sccc31)C2 ZINC001236685205 819571552 /nfs/dbraw/zinc/57/15/52/819571552.db2.gz ZCCYNWMISHARPE-RHSMWYFYSA-N 2 1 286.444 3.285 20 0 CGADMP C[N@@H+](C1CC1)C1CCN(Cc2cccc3occc32)CC1 ZINC001236739066 819587876 /nfs/dbraw/zinc/58/78/76/819587876.db2.gz KWFLXPOUOGJTGB-UHFFFAOYSA-N 2 1 284.403 3.491 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc4occc43)C[C@H]2C1 ZINC001236738990 819588617 /nfs/dbraw/zinc/58/86/17/819588617.db2.gz KBHBXWPUSLXDKP-HZPDHXFCSA-N 2 1 284.403 3.206 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@H]12 ZINC001236817195 819606326 /nfs/dbraw/zinc/60/63/26/819606326.db2.gz ACTWJFFASBTDQD-RYQLBKOJSA-N 2 1 284.447 3.168 20 0 CGADMP CCC[N@@H+](Cc1cc(C)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843943 819620625 /nfs/dbraw/zinc/62/06/25/819620625.db2.gz NMBUUUIKWNMSLO-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1cc(C)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843943 819620629 /nfs/dbraw/zinc/62/06/29/819620629.db2.gz NMBUUUIKWNMSLO-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2c3ccccc3oc21 ZINC001236894806 819633102 /nfs/dbraw/zinc/63/31/02/819633102.db2.gz DTOFQKUKNIMVLP-LBPRGKRZSA-N 2 1 268.360 3.365 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2c3ccccc3oc21 ZINC001236894806 819633105 /nfs/dbraw/zinc/63/31/05/819633105.db2.gz DTOFQKUKNIMVLP-LBPRGKRZSA-N 2 1 268.360 3.365 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@](C)(C[NH3+])C2)CC1 ZINC001237056775 819653873 /nfs/dbraw/zinc/65/38/73/819653873.db2.gz JTYGXXAGNDMWCS-ARFHVFGLSA-N 2 1 250.430 3.040 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc(C)c1F ZINC001237057483 819657073 /nfs/dbraw/zinc/65/70/73/819657073.db2.gz NIXGUGXKLISHIV-INIZCTEOSA-N 2 1 264.388 3.003 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC001237060236 819657276 /nfs/dbraw/zinc/65/72/76/819657276.db2.gz YTVWCZYGJOUPJF-GOSISDBHSA-N 2 1 274.452 3.415 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001237081218 819661985 /nfs/dbraw/zinc/66/19/85/819661985.db2.gz JJSJZWHPPDCHNL-KRWDZBQOSA-N 2 1 276.399 3.264 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001237081218 819661989 /nfs/dbraw/zinc/66/19/89/819661989.db2.gz JJSJZWHPPDCHNL-KRWDZBQOSA-N 2 1 276.399 3.264 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001237080859 819662757 /nfs/dbraw/zinc/66/27/57/819662757.db2.gz JHEUTJSYUZWJCO-MRXNPFEDSA-N 2 1 274.433 3.462 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083722 819664057 /nfs/dbraw/zinc/66/40/57/819664057.db2.gz YEPYQGXEIHEIGM-MRXNPFEDSA-N 2 1 264.388 3.003 20 0 CGADMP C[N@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH+](C)CC1 ZINC001237104548 819667106 /nfs/dbraw/zinc/66/71/06/819667106.db2.gz IWHWWDNDSGRXMP-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP C[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH+](C)CC1 ZINC001237104548 819667113 /nfs/dbraw/zinc/66/71/13/819667113.db2.gz IWHWWDNDSGRXMP-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP c1cc2c(c(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c1)CCC2 ZINC001237162145 819685453 /nfs/dbraw/zinc/68/54/53/819685453.db2.gz UBNAGHXJQYVTDE-GOSISDBHSA-N 2 1 284.447 3.282 20 0 CGADMP c1cc2c(c(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c1)CCC2 ZINC001237162145 819685458 /nfs/dbraw/zinc/68/54/58/819685458.db2.gz UBNAGHXJQYVTDE-GOSISDBHSA-N 2 1 284.447 3.282 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001237246599 819710350 /nfs/dbraw/zinc/71/03/50/819710350.db2.gz CJDYMORBOMKEMP-QGZVFWFLSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418584 819749093 /nfs/dbraw/zinc/74/90/93/819749093.db2.gz YUXUVPGKYGRABX-ZBFHGGJFSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418584 819749099 /nfs/dbraw/zinc/74/90/99/819749099.db2.gz YUXUVPGKYGRABX-ZBFHGGJFSA-N 2 1 278.827 3.222 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCC[NH3+] ZINC001237465224 819757082 /nfs/dbraw/zinc/75/70/82/819757082.db2.gz SZNZCGDCPJTJQD-NSHDSACASA-N 2 1 285.229 3.181 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001238117018 819938265 /nfs/dbraw/zinc/93/82/65/819938265.db2.gz UGNTZHLQOMXYOE-PBHICJAKSA-N 2 1 269.392 3.489 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238503261 820030538 /nfs/dbraw/zinc/03/05/38/820030538.db2.gz WGAABODQNOIQRX-CVEARBPZSA-N 2 1 288.410 3.087 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238503261 820030545 /nfs/dbraw/zinc/03/05/45/820030545.db2.gz WGAABODQNOIQRX-CVEARBPZSA-N 2 1 288.410 3.087 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238503261 820030555 /nfs/dbraw/zinc/03/05/55/820030555.db2.gz WGAABODQNOIQRX-CVEARBPZSA-N 2 1 288.410 3.087 20 0 CGADMP C[N@@H+]1CC=C(c2cccc(C[NH+]3CCCC3)c2F)CC1 ZINC001241333484 821741022 /nfs/dbraw/zinc/74/10/22/821741022.db2.gz VTLGTWRJHQCINO-UHFFFAOYSA-N 2 1 274.383 3.140 20 0 CGADMP C[NH+]1CCC(c2ccc(C3=CCC[N@@H+](C)C3)cc2)CC1 ZINC001241572521 821959021 /nfs/dbraw/zinc/95/90/21/821959021.db2.gz ZUOUVWZQGHDEGS-UHFFFAOYSA-N 2 1 270.420 3.215 20 0 CGADMP COCCCC1(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC001335441561 936146009 /nfs/dbraw/zinc/14/60/09/936146009.db2.gz PPGQMTDIYGMLHE-QGZVFWFLSA-N 2 1 296.499 3.293 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349487470 936950155 /nfs/dbraw/zinc/95/01/55/936950155.db2.gz OYJRVJBVJCWDOT-UHFFFAOYSA-N 2 1 295.430 3.200 20 0 CGADMP Cc1cc(C)c([C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC001349764353 936961688 /nfs/dbraw/zinc/96/16/88/936961688.db2.gz BXDWOHAMAAFTPA-INIZCTEOSA-N 2 1 298.434 3.218 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001351282268 937013305 /nfs/dbraw/zinc/01/33/05/937013305.db2.gz BYAZBMAYABEPDS-FZKCQIBNSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C=CCC1 ZINC001474202636 937203515 /nfs/dbraw/zinc/20/35/15/937203515.db2.gz OSDSRFLRXNJWOJ-QGZVFWFLSA-N 2 1 272.436 3.453 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC001172830333 928224692 /nfs/dbraw/zinc/22/46/92/928224692.db2.gz HZWKSXXPIQZEGU-IBGZPJMESA-N 2 1 286.463 3.126 20 0 CGADMP CC(C)CCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC001308361516 928524864 /nfs/dbraw/zinc/52/48/64/928524864.db2.gz XDIOEXIIPFMINF-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP Cc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903086180 928768892 /nfs/dbraw/zinc/76/88/92/928768892.db2.gz LSCWCHAWSMCVPN-JLYLLQBASA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cncc3ccccc32)C[C@@H]1C[NH3+] ZINC000397241825 928803056 /nfs/dbraw/zinc/80/30/56/928803056.db2.gz MEXCFZDPDFDTHE-FMKPAKJESA-N 2 1 283.419 3.040 20 0 CGADMP Cc1ncsc1CCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC001459409815 937487773 /nfs/dbraw/zinc/48/77/73/937487773.db2.gz CHRUDRPKMTUQBI-UHFFFAOYSA-N 2 1 295.496 3.189 20 0 CGADMP C([C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C1)[NH+]1CCCCC1 ZINC001459516042 937489914 /nfs/dbraw/zinc/48/99/14/937489914.db2.gz ZTUVBBLNHPWMBA-ADKAHSJRSA-N 2 1 276.468 3.375 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC3CCC2CC3)CC[N@@H+]1C ZINC001459614298 937493003 /nfs/dbraw/zinc/49/30/03/937493003.db2.gz PSEBHSKYVRLBTN-HPDBWDTBSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC3CCC2CC3)CC[N@H+]1C ZINC001459614298 937493005 /nfs/dbraw/zinc/49/30/05/937493005.db2.gz PSEBHSKYVRLBTN-HPDBWDTBSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC3CCC2CC3)CC[NH+]1C ZINC001459614298 937493007 /nfs/dbraw/zinc/49/30/07/937493007.db2.gz PSEBHSKYVRLBTN-HPDBWDTBSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC3CCC2CC3)CC[NH+]1C ZINC001459614298 937493008 /nfs/dbraw/zinc/49/30/08/937493008.db2.gz PSEBHSKYVRLBTN-HPDBWDTBSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H](c1cccc(OC2C[NH+](C(C)(C)C)C2)c1)[NH+](C)C ZINC001229624942 932179825 /nfs/dbraw/zinc/17/98/25/932179825.db2.gz DJFQOTFOSOVWFG-ZDUSSCGKSA-N 2 1 276.424 3.171 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC001461415421 937580135 /nfs/dbraw/zinc/58/01/35/937580135.db2.gz VARRLIRDAAYQRQ-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CCCC1(C)C ZINC001461660146 937591129 /nfs/dbraw/zinc/59/11/29/937591129.db2.gz IWROCRSAUDCOME-HNNXBMFYSA-N 2 1 275.440 3.454 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2NC)CC1 ZINC001461940841 937607441 /nfs/dbraw/zinc/60/74/41/937607441.db2.gz CNMNIYOVLSWRIS-UHFFFAOYSA-N 2 1 289.467 3.343 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2NC)CC1 ZINC001461940841 937607443 /nfs/dbraw/zinc/60/74/43/937607443.db2.gz CNMNIYOVLSWRIS-UHFFFAOYSA-N 2 1 289.467 3.343 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](Cc2cccs2)C2CC2)CC1 ZINC001462044360 937614765 /nfs/dbraw/zinc/61/47/65/937614765.db2.gz KIJMHIZOGCCLES-UHFFFAOYSA-N 2 1 278.465 3.444 20 0 CGADMP CN(CCC[N@@H+](C)C[C@H]1CCCC(C)(C)C1)CC[NH+](C)C ZINC001462314771 937631637 /nfs/dbraw/zinc/63/16/37/937631637.db2.gz DQVWUDYQABVNBL-KRWDZBQOSA-N 2 1 297.531 3.018 20 0 CGADMP Cc1cccc(OCC[N@H+](C)CCC[NH+]2CCCCC2)c1 ZINC001307419674 932949867 /nfs/dbraw/zinc/94/98/67/932949867.db2.gz YPFGQYAWPKAGGV-UHFFFAOYSA-N 2 1 290.451 3.182 20 0 CGADMP Cc1cccc(OCC[N@@H+](C)CCC[NH+]2CCCCC2)c1 ZINC001307419674 932949874 /nfs/dbraw/zinc/94/98/74/932949874.db2.gz YPFGQYAWPKAGGV-UHFFFAOYSA-N 2 1 290.451 3.182 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011950 933033332 /nfs/dbraw/zinc/03/33/32/933033332.db2.gz UPJGWCHZKJWWLN-PKOBYXMFSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011950 933033335 /nfs/dbraw/zinc/03/33/35/933033335.db2.gz UPJGWCHZKJWWLN-PKOBYXMFSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011950 933033339 /nfs/dbraw/zinc/03/33/39/933033339.db2.gz UPJGWCHZKJWWLN-PKOBYXMFSA-N 2 1 280.415 3.366 20 0 CGADMP CO[C@@H](CC(C)C)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001308025044 933037421 /nfs/dbraw/zinc/03/74/21/933037421.db2.gz PECWZZOUISCICO-SFHVURJKSA-N 2 1 298.515 3.347 20 0 CGADMP Clc1ccc(Cl)c(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)c1 ZINC001462635756 937655574 /nfs/dbraw/zinc/65/55/74/937655574.db2.gz MMPAPUNHXVTJFG-ZDUSSCGKSA-N 2 1 299.245 3.425 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CC(C)(C)CC(C)(C)C2)CCOCC1 ZINC001308274497 933086374 /nfs/dbraw/zinc/08/63/74/933086374.db2.gz KEDPSUBASDXYLP-UHFFFAOYSA-N 2 1 296.499 3.292 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001308433719 933109924 /nfs/dbraw/zinc/10/99/24/933109924.db2.gz ONTHFGIJXVXMCH-HOTGVXAUSA-N 2 1 264.457 3.443 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001308433719 933109926 /nfs/dbraw/zinc/10/99/26/933109926.db2.gz ONTHFGIJXVXMCH-HOTGVXAUSA-N 2 1 264.457 3.443 20 0 CGADMP C1=CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001308470185 933116225 /nfs/dbraw/zinc/11/62/25/933116225.db2.gz BFWJXHZNLNRAEQ-CVEARBPZSA-N 2 1 262.441 3.339 20 0 CGADMP C1=CC[C@@H](C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001308470185 933116227 /nfs/dbraw/zinc/11/62/27/933116227.db2.gz BFWJXHZNLNRAEQ-CVEARBPZSA-N 2 1 262.441 3.339 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001308673166 933155099 /nfs/dbraw/zinc/15/50/99/933155099.db2.gz VJRULAQFJSINOW-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CSC2)CC1 ZINC001308792205 933177378 /nfs/dbraw/zinc/17/73/78/933177378.db2.gz JOULZWBATGGWFR-CQSZACIVSA-N 2 1 284.513 3.372 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CSC2)CC1 ZINC001308792205 933177380 /nfs/dbraw/zinc/17/73/80/933177380.db2.gz JOULZWBATGGWFR-CQSZACIVSA-N 2 1 284.513 3.372 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001308847604 933188706 /nfs/dbraw/zinc/18/87/06/933188706.db2.gz LKENQOJGCUWKGF-CVEARBPZSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](CCCN[C@H]1CCC[NH+](CC)C1)C1CCCCC1 ZINC001308852182 933190464 /nfs/dbraw/zinc/19/04/64/933190464.db2.gz OIEMIJVPFKYDAW-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CC[NH+](CCCN[C@H]1CCC[N@H+](CC)C1)C1CCCCC1 ZINC001308852182 933190467 /nfs/dbraw/zinc/19/04/67/933190467.db2.gz OIEMIJVPFKYDAW-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP CC[NH+](CCCN[C@H]1CCC[N@@H+](CC)C1)C1CCCCC1 ZINC001308852182 933190472 /nfs/dbraw/zinc/19/04/72/933190472.db2.gz OIEMIJVPFKYDAW-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC001329022978 933467220 /nfs/dbraw/zinc/46/72/20/933467220.db2.gz IJCRFZUBKWATNY-ZWNOBZJWSA-N 2 1 284.856 3.465 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001319127594 933830065 /nfs/dbraw/zinc/83/00/65/933830065.db2.gz KCURFJCSHVZILH-GJZGRUSLSA-N 2 1 281.403 3.004 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC001319282200 933852412 /nfs/dbraw/zinc/85/24/12/933852412.db2.gz HNDZNQOBFLUKNV-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC001319282200 933852418 /nfs/dbraw/zinc/85/24/18/933852418.db2.gz HNDZNQOBFLUKNV-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CC(C)c1ocnc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001319744549 933925044 /nfs/dbraw/zinc/92/50/44/933925044.db2.gz YIEWIFYPZXYPLR-UHFFFAOYSA-N 2 1 293.455 3.350 20 0 CGADMP CC(C)c1ocnc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC001319744549 933925054 /nfs/dbraw/zinc/92/50/54/933925054.db2.gz YIEWIFYPZXYPLR-UHFFFAOYSA-N 2 1 293.455 3.350 20 0 CGADMP C[C@@H](C[NH2+]CCc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C ZINC001319913196 933956792 /nfs/dbraw/zinc/95/67/92/933956792.db2.gz JILISJUAOLMYDR-GJZGRUSLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H](C[NH2+]CCc1ccc(F)cc1)[N@H+]1CCCC[C@@H]1C ZINC001319913196 933956796 /nfs/dbraw/zinc/95/67/96/933956796.db2.gz JILISJUAOLMYDR-GJZGRUSLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(F)cc1 ZINC001320562797 934066338 /nfs/dbraw/zinc/06/63/38/934066338.db2.gz OPGBFHKDLWFBBD-KBRIMQKVSA-N 2 1 278.415 3.392 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)c1ccccc1 ZINC001320901636 934121448 /nfs/dbraw/zinc/12/14/48/934121448.db2.gz XNOWFYHBVSFHBG-DJIMGWMZSA-N 2 1 260.425 3.253 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC001321264052 934169631 /nfs/dbraw/zinc/16/96/31/934169631.db2.gz UVDUHURLIHOECR-DLBZAZTESA-N 2 1 292.492 3.382 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(=C4CCC4)CC3)[C@H]2C1 ZINC001474757063 934176783 /nfs/dbraw/zinc/17/67/83/934176783.db2.gz PCMZIEGVHKXSFZ-SZMVWBNQSA-N 2 1 274.452 3.339 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321343 934384160 /nfs/dbraw/zinc/38/41/60/934384160.db2.gz IECVMKIGRKTCBU-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321343 934384167 /nfs/dbraw/zinc/38/41/67/934384167.db2.gz IECVMKIGRKTCBU-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321343 934384178 /nfs/dbraw/zinc/38/41/78/934384178.db2.gz IECVMKIGRKTCBU-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321343 934384188 /nfs/dbraw/zinc/38/41/88/934384188.db2.gz IECVMKIGRKTCBU-DZGCQCFKSA-N 2 1 294.414 3.139 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485291 934401077 /nfs/dbraw/zinc/40/10/77/934401077.db2.gz GMMMMKWQTWWGID-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485291 934401084 /nfs/dbraw/zinc/40/10/84/934401084.db2.gz GMMMMKWQTWWGID-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485291 934401088 /nfs/dbraw/zinc/40/10/88/934401088.db2.gz GMMMMKWQTWWGID-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485291 934401096 /nfs/dbraw/zinc/40/10/96/934401096.db2.gz GMMMMKWQTWWGID-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2)[C@@H](C)C1 ZINC001323567595 934408663 /nfs/dbraw/zinc/40/86/63/934408663.db2.gz LZFOJGNSUNMCHE-YOEHRIQHSA-N 2 1 278.415 3.030 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2F)C[C@H]1C ZINC001323697956 934417888 /nfs/dbraw/zinc/41/78/88/934417888.db2.gz OYZQPEKGBWQVRQ-CJNGLKHVSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)cc2F)C[C@H]1C ZINC001323697956 934417897 /nfs/dbraw/zinc/41/78/97/934417897.db2.gz OYZQPEKGBWQVRQ-CJNGLKHVSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)cc2F)C[C@H]1C ZINC001323697956 934417905 /nfs/dbraw/zinc/41/79/05/934417905.db2.gz OYZQPEKGBWQVRQ-CJNGLKHVSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2cccc(F)c2F)C1 ZINC001324929561 934873503 /nfs/dbraw/zinc/87/35/03/934873503.db2.gz VTGHRWOVEYKSLQ-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cc(Cl)ccc1OC ZINC001326036409 934945822 /nfs/dbraw/zinc/94/58/22/934945822.db2.gz QZFRTXRFNAONRH-BXUZGUMPSA-N 2 1 284.831 3.387 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001326075892 934949181 /nfs/dbraw/zinc/94/91/81/934949181.db2.gz MRNCEZOIUYXVMO-LBPRGKRZSA-N 2 1 276.355 3.173 20 0 CGADMP c1ccc([C@]23CCCC[C@H]2C[N@@H+]3CC2CC[NH2+]CC2)cc1 ZINC001326230690 934961197 /nfs/dbraw/zinc/96/11/97/934961197.db2.gz DMGFHKJHZMYKEG-RBUKOAKNSA-N 2 1 284.447 3.387 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC001330355125 935287584 /nfs/dbraw/zinc/28/75/84/935287584.db2.gz YVLXUSPBHHFPOR-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC001330355125 935287586 /nfs/dbraw/zinc/28/75/86/935287586.db2.gz YVLXUSPBHHFPOR-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC001333422184 935535072 /nfs/dbraw/zinc/53/50/72/935535072.db2.gz ODEZFJJMQOWCFK-IIDMSEBBSA-N 2 1 272.436 3.241 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001333743224 936062332 /nfs/dbraw/zinc/06/23/32/936062332.db2.gz VSIKFNNTPUUIDK-CVEARBPZSA-N 2 1 292.471 3.043 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001334157698 936087986 /nfs/dbraw/zinc/08/79/86/936087986.db2.gz VUTHEBRUFXUEIO-AWEZNQCLSA-N 2 1 290.451 3.459 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001334157698 936087991 /nfs/dbraw/zinc/08/79/91/936087991.db2.gz VUTHEBRUFXUEIO-AWEZNQCLSA-N 2 1 290.451 3.459 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)CC[N@@H+]1C ZINC001334185836 936090068 /nfs/dbraw/zinc/09/00/68/936090068.db2.gz FFOXVSFWLNHQSR-ZYHUDNBSSA-N 2 1 286.341 3.336 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)CC[N@H+]1C ZINC001334185836 936090072 /nfs/dbraw/zinc/09/00/72/936090072.db2.gz FFOXVSFWLNHQSR-ZYHUDNBSSA-N 2 1 286.341 3.336 20 0 CGADMP Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336887683 936225257 /nfs/dbraw/zinc/22/52/57/936225257.db2.gz FAUQHEZBYHSRGH-RCCFBDPRSA-N 2 1 272.436 3.157 20 0 CGADMP CO[C@@H](C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccc(F)cc1 ZINC001337838339 936293739 /nfs/dbraw/zinc/29/37/39/936293739.db2.gz NWFQXRSNXXVBEX-HOTGVXAUSA-N 2 1 296.430 3.256 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC001473912181 937829504 /nfs/dbraw/zinc/82/95/04/937829504.db2.gz DRVMLFHOOWZMJY-UHFFFAOYSA-N 2 1 289.467 3.090 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCc2ccccc21 ZINC001473921490 937829868 /nfs/dbraw/zinc/82/98/68/937829868.db2.gz KHRCTRXPHZRAHG-MRXNPFEDSA-N 2 1 295.430 3.357 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129558 938162766 /nfs/dbraw/zinc/16/27/66/938162766.db2.gz NUCSZAVLOUVBFB-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129558 938162767 /nfs/dbraw/zinc/16/27/67/938162767.db2.gz NUCSZAVLOUVBFB-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129558 938162768 /nfs/dbraw/zinc/16/27/68/938162768.db2.gz NUCSZAVLOUVBFB-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129558 938162769 /nfs/dbraw/zinc/16/27/69/938162769.db2.gz NUCSZAVLOUVBFB-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129720 938162958 /nfs/dbraw/zinc/16/29/58/938162958.db2.gz VLUMOIDXUWKFQE-XWSJACJDSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129720 938162959 /nfs/dbraw/zinc/16/29/59/938162959.db2.gz VLUMOIDXUWKFQE-XWSJACJDSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129720 938162960 /nfs/dbraw/zinc/16/29/60/938162960.db2.gz VLUMOIDXUWKFQE-XWSJACJDSA-N 2 1 284.447 3.206 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC001553026192 938195967 /nfs/dbraw/zinc/19/59/67/938195967.db2.gz PPNPKPFBCQJHNM-DQPZFDDXSA-N 2 1 270.420 3.115 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC001553026300 938196128 /nfs/dbraw/zinc/19/61/28/938196128.db2.gz ROVOSESUEXMMFP-BDVYOWHSSA-N 2 1 288.410 3.336 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)c(F)c32)C1 ZINC001553290941 938197949 /nfs/dbraw/zinc/19/79/49/938197949.db2.gz FTRYBODXOMLZAD-TZMCWYRMSA-N 2 1 294.389 3.320 20 0 CGADMP Cc1nc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001559078161 938219817 /nfs/dbraw/zinc/21/98/17/938219817.db2.gz WBNSGKWBLCWMOI-PXAZEXFGSA-N 2 1 290.455 3.324 20 0 CGADMP C[C@H](CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C1CCCCC1 ZINC001560077755 938243435 /nfs/dbraw/zinc/24/34/35/938243435.db2.gz WWEYPJPPQIGEAZ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C1CCCCC1 ZINC001560077755 938243436 /nfs/dbraw/zinc/24/34/36/938243436.db2.gz WWEYPJPPQIGEAZ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C1CCCCC1 ZINC001560077755 938243437 /nfs/dbraw/zinc/24/34/37/938243437.db2.gz WWEYPJPPQIGEAZ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1CCCCC1 ZINC001560077755 938243438 /nfs/dbraw/zinc/24/34/38/938243438.db2.gz WWEYPJPPQIGEAZ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C1CCCCC1 ZINC001560077755 938243439 /nfs/dbraw/zinc/24/34/39/938243439.db2.gz WWEYPJPPQIGEAZ-DJIMGWMZSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)c1 ZINC001560108953 938244377 /nfs/dbraw/zinc/24/43/77/938244377.db2.gz PSFXFKBYYPTZRG-KRWDZBQOSA-N 2 1 295.430 3.409 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)s1 ZINC001560297367 938251735 /nfs/dbraw/zinc/25/17/35/938251735.db2.gz AMUPZUIXMCNBEW-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP Cc1ccccc1OCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001560325028 938253088 /nfs/dbraw/zinc/25/30/88/938253088.db2.gz QCMUJNWGOYMLBU-UHFFFAOYSA-N 2 1 299.418 3.015 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001560358626 938255196 /nfs/dbraw/zinc/25/51/96/938255196.db2.gz QRIHKPMIROZCCG-SJORKVTESA-N 2 1 290.451 3.436 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)C2CCC(F)(F)CC2)CC1 ZINC001560862586 938280128 /nfs/dbraw/zinc/28/01/28/938280128.db2.gz RSFUJHRGRDEBFD-UHFFFAOYSA-N 2 1 274.399 3.228 20 0 CGADMP Cc1cc(F)cc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC001257207718 960426361 /nfs/dbraw/zinc/42/63/61/960426361.db2.gz DTXPBHXTKSONSG-UHFFFAOYSA-N 2 1 264.388 3.097 20 0 CGADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001574801107 962322740 /nfs/dbraw/zinc/32/27/40/962322740.db2.gz NJIJPOVQFWTDNT-YYIAUSFCSA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCSCc1ccccc1 ZINC001575107419 962346899 /nfs/dbraw/zinc/34/68/99/962346899.db2.gz ANQAOMPXJGCYGP-OAHLLOKOSA-N 2 1 280.481 3.273 20 0 CGADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001576435029 962455396 /nfs/dbraw/zinc/45/53/96/962455396.db2.gz OHVJGBJXUNUNNE-GOEBONIOSA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC001576391692 962461844 /nfs/dbraw/zinc/46/18/44/962461844.db2.gz VWPOEAMMOYSKGN-UAGQMJEPSA-N 2 1 284.403 3.299 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC001576680060 962480648 /nfs/dbraw/zinc/48/06/48/962480648.db2.gz XYXXCHRGHKRTAP-YYIAUSFCSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)CC(C)(C)C1 ZINC001576807661 962488673 /nfs/dbraw/zinc/48/86/73/962488673.db2.gz UJSHVTIGDMOLNN-KKUMJFAQSA-N 2 1 252.446 3.120 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001576806268 962492003 /nfs/dbraw/zinc/49/20/03/962492003.db2.gz CRVSFCILCMQGBH-ZFWWWQNUSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]2CCCC[C@H]21 ZINC001576800055 962493014 /nfs/dbraw/zinc/49/30/14/962493014.db2.gz GCGSSUACJJVDRH-HYVNUMGLSA-N 2 1 264.457 3.277 20 0 CGADMP CCc1ccc([C@H]2CCC[N@@H+](CCC[NH2+]C)C2)cc1 ZINC001578254871 962574405 /nfs/dbraw/zinc/57/44/05/962574405.db2.gz JFHPUEOFJJMSGZ-KRWDZBQOSA-N 2 1 260.425 3.038 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001578686959 962589975 /nfs/dbraw/zinc/58/99/75/962589975.db2.gz GFCWRZYZTIDTDY-CQSZACIVSA-N 2 1 264.388 3.005 20 0 CGADMP C[N@@H+](CC(C)(C)C[NH3+])C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001578438573 962591193 /nfs/dbraw/zinc/59/11/93/962591193.db2.gz VJPOGAZHQNZXRE-NVXWUHKLSA-N 2 1 260.425 3.097 20 0 CGADMP C[N@H+](Cc1cnc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578501279 962595013 /nfs/dbraw/zinc/59/50/13/962595013.db2.gz YVNOADKDEYBIGE-XYPWUTKMSA-N 2 1 297.402 3.056 20 0 CGADMP C[N@@H+](Cc1cnc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578501279 962595021 /nfs/dbraw/zinc/59/50/21/962595021.db2.gz YVNOADKDEYBIGE-XYPWUTKMSA-N 2 1 297.402 3.056 20 0 CGADMP CO[C@](C)(C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC001578897874 962603544 /nfs/dbraw/zinc/60/35/44/962603544.db2.gz ZMOQGKGTBSCOQS-FUHWJXTLSA-N 2 1 292.467 3.291 20 0 CGADMP Cc1ccc(C[N@H+](Cc2cccc(C[NH3+])c2)CC2CC2)cn1 ZINC001579690801 962658098 /nfs/dbraw/zinc/65/80/98/962658098.db2.gz BNMQRQYRHIIFOF-UHFFFAOYSA-N 2 1 295.430 3.261 20 0 CGADMP Cc1scc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC001579937178 962681054 /nfs/dbraw/zinc/68/10/54/962681054.db2.gz MPLYANXIZUSDQK-GFCCVEGCSA-N 2 1 278.465 3.329 20 0 CGADMP FC(F)n1cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580024549 962685171 /nfs/dbraw/zinc/68/51/71/962685171.db2.gz ZZPNGLPMRPWIRJ-KGLIPLIRSA-N 2 1 297.393 3.095 20 0 CGADMP FC1(F)CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC001580024510 962686002 /nfs/dbraw/zinc/68/60/02/962686002.db2.gz YNLSHERSALFPNK-IMJJTQAJSA-N 2 1 294.389 3.157 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC001580033617 962690592 /nfs/dbraw/zinc/69/05/92/962690592.db2.gz UTGQYMKXHAVQHW-MVJTYMMSSA-N 2 1 288.410 3.003 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001580244048 962711103 /nfs/dbraw/zinc/71/11/03/962711103.db2.gz NUXSJKBDKPUTAY-CQSZACIVSA-N 2 1 264.800 3.216 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC001580287405 962711329 /nfs/dbraw/zinc/71/13/29/962711329.db2.gz UIIFJAGCRBSXSQ-LLVKDONJSA-N 2 1 293.798 3.042 20 0 CGADMP [NH3+]Cc1cccc(CNc2cccc3cc[nH+]cc32)c1 ZINC001580342908 962716380 /nfs/dbraw/zinc/71/63/80/962716380.db2.gz NWTQABDNYSGWSA-UHFFFAOYSA-N 2 1 263.344 3.306 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000651211025 398216553 /nfs/dbraw/zinc/21/65/53/398216553.db2.gz PPRRTYWDKXBKOW-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000651228785 398219196 /nfs/dbraw/zinc/21/91/96/398219196.db2.gz AUDVCSPUZXVTNQ-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000651730668 398277318 /nfs/dbraw/zinc/27/73/18/398277318.db2.gz USMQXUAEMNMTSH-MSOLQXFVSA-N 2 1 296.499 3.434 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c2ccccc12 ZINC000622004879 349620781 /nfs/dbraw/zinc/62/07/81/349620781.db2.gz WASAOIOPPDINSL-BEFAXECRSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c2ccccc12 ZINC000622004879 349620784 /nfs/dbraw/zinc/62/07/84/349620784.db2.gz WASAOIOPPDINSL-BEFAXECRSA-N 2 1 296.414 3.162 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651823072 398294166 /nfs/dbraw/zinc/29/41/66/398294166.db2.gz UXPYEXDBLMJOJV-WFDRTZIDSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000337948993 214327253 /nfs/dbraw/zinc/32/72/53/214327253.db2.gz ZMUSKWJETXSXSZ-RQOWECAXSA-N 2 1 291.345 3.163 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337993488 214350406 /nfs/dbraw/zinc/35/04/06/214350406.db2.gz HUMDDIAOXJVCIK-BMFZPTHFSA-N 2 1 281.419 3.336 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337986519 214343764 /nfs/dbraw/zinc/34/37/64/214343764.db2.gz DSJOTZSRSJDBRH-CVEARBPZSA-N 2 1 281.419 3.480 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1F ZINC000338011736 214359120 /nfs/dbraw/zinc/35/91/20/214359120.db2.gz OGYBEFUTFJMXOD-GFCCVEGCSA-N 2 1 291.370 3.080 20 0 CGADMP CCn1cncc1C[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000651909978 398305011 /nfs/dbraw/zinc/30/50/11/398305011.db2.gz CCOMZFXDEMNUKG-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP CCn1cncc1C[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000651909978 398305013 /nfs/dbraw/zinc/30/50/13/398305013.db2.gz CCOMZFXDEMNUKG-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000651910537 398305224 /nfs/dbraw/zinc/30/52/24/398305224.db2.gz XTDJOJIFQSCMGO-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000338012925 214360557 /nfs/dbraw/zinc/36/05/57/214360557.db2.gz BUYAHDRARRHNSI-JKSUJKDBSA-N 2 1 293.455 3.011 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338014991 214362271 /nfs/dbraw/zinc/36/22/71/214362271.db2.gz IUPNZOPOGXEKKE-DZGCQCFKSA-N 2 1 251.418 3.386 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359219744 529411557 /nfs/dbraw/zinc/41/15/57/529411557.db2.gz VSMOPDDXIHOCIM-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000590786914 346876119 /nfs/dbraw/zinc/87/61/19/346876119.db2.gz RXQKDOHPWLQBNX-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423484023 529454012 /nfs/dbraw/zinc/45/40/12/529454012.db2.gz YDERNTLWFILGNZ-ZWKOTPCHSA-N 2 1 286.394 3.436 20 0 CGADMP Cc1[nH+]ccc(N2CCC3(CCC[N@@H+]3C)CC2)c1Cl ZINC000334308699 282186025 /nfs/dbraw/zinc/18/60/25/282186025.db2.gz IDNJJXMKXFAUMA-UHFFFAOYSA-N 2 1 279.815 3.108 20 0 CGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cncc(F)c1 ZINC000125970896 187207892 /nfs/dbraw/zinc/20/78/92/187207892.db2.gz LXPOMRNXMDNLJN-WFASDCNBSA-N 2 1 281.419 3.238 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1 ZINC000423260557 529611302 /nfs/dbraw/zinc/61/13/02/529611302.db2.gz HMSVOBHRJAJOSW-KGLIPLIRSA-N 2 1 254.805 3.364 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000453091234 282209609 /nfs/dbraw/zinc/20/96/09/282209609.db2.gz QVTDUJLCDMANCG-FZMZJTMJSA-N 2 1 275.421 3.481 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cc(C)ccc1OC ZINC000423265805 529619018 /nfs/dbraw/zinc/61/90/18/529619018.db2.gz DADKLEJCWVSPSD-GJZGRUSLSA-N 2 1 264.413 3.028 20 0 CGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)CC(C)C ZINC000623353425 349786431 /nfs/dbraw/zinc/78/64/31/349786431.db2.gz LBJQSFJBNWHRRJ-IRXDYDNUSA-N 3 1 297.531 3.205 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000156102673 529670885 /nfs/dbraw/zinc/67/08/85/529670885.db2.gz MVTQIIMITFVDBX-AGIUHOORSA-N 2 1 252.427 3.272 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccs1 ZINC000156102673 529670887 /nfs/dbraw/zinc/67/08/87/529670887.db2.gz MVTQIIMITFVDBX-AGIUHOORSA-N 2 1 252.427 3.272 20 0 CGADMP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623371514 349792469 /nfs/dbraw/zinc/79/24/69/349792469.db2.gz HEOYBDNQDQAFLJ-INIZCTEOSA-N 2 1 290.451 3.090 20 0 CGADMP CCC[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401852 349799923 /nfs/dbraw/zinc/79/99/23/349799923.db2.gz RAGCBSMHNYBHBZ-GDBMZVCRSA-N 2 1 275.440 3.385 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401852 349799931 /nfs/dbraw/zinc/79/99/31/349799931.db2.gz RAGCBSMHNYBHBZ-GDBMZVCRSA-N 2 1 275.440 3.385 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401852 349799935 /nfs/dbraw/zinc/79/99/35/349799935.db2.gz RAGCBSMHNYBHBZ-GDBMZVCRSA-N 2 1 275.440 3.385 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000623408166 349800822 /nfs/dbraw/zinc/80/08/22/349800822.db2.gz LJACIHKCWNNYIQ-GDBMZVCRSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC1(C)C ZINC000623408166 349800825 /nfs/dbraw/zinc/80/08/25/349800825.db2.gz LJACIHKCWNNYIQ-GDBMZVCRSA-N 2 1 276.399 3.275 20 0 CGADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623448571 349812427 /nfs/dbraw/zinc/81/24/27/349812427.db2.gz ZAVHFGSHEKAFCM-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)CCC2 ZINC000423501885 529747699 /nfs/dbraw/zinc/74/76/99/529747699.db2.gz LNSUDWNXTMRQAY-GXTWGEPZSA-N 2 1 293.480 3.190 20 0 CGADMP Cc1cccc(C[N@H+](C)CCC[NH+]2CCCCC2)c1 ZINC000351351070 219092323 /nfs/dbraw/zinc/09/23/23/219092323.db2.gz MDTWRKYEYSLLDB-UHFFFAOYSA-N 2 1 260.425 3.303 20 0 CGADMP Cc1cccc(C[N@@H+](C)CCC[NH+]2CCCCC2)c1 ZINC000351351070 219092326 /nfs/dbraw/zinc/09/23/26/219092326.db2.gz MDTWRKYEYSLLDB-UHFFFAOYSA-N 2 1 260.425 3.303 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623493578 349819913 /nfs/dbraw/zinc/81/99/13/349819913.db2.gz KNMLQNYGMATFFI-SOUVJXGZSA-N 2 1 282.472 3.041 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623607073 349848449 /nfs/dbraw/zinc/84/84/49/349848449.db2.gz VSSCMRAMPIZSRW-OWSLCNJRSA-N 2 1 284.447 3.395 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000623656955 349858666 /nfs/dbraw/zinc/85/86/66/349858666.db2.gz GRTHLXQUFBHMFU-SZMVWBNQSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)s1 ZINC000623656249 349858734 /nfs/dbraw/zinc/85/87/34/349858734.db2.gz PYEQMTUTZWAXEK-AWEZNQCLSA-N 2 1 266.454 3.186 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000623656490 349858758 /nfs/dbraw/zinc/85/87/58/349858758.db2.gz VJDCTAZFFIVSQD-ZDUSSCGKSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000623656490 349858759 /nfs/dbraw/zinc/85/87/59/349858759.db2.gz VJDCTAZFFIVSQD-ZDUSSCGKSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1ccc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)ccc2n1 ZINC000623657607 349859559 /nfs/dbraw/zinc/85/95/59/349859559.db2.gz VKDYKWCWQLXQIS-KRWDZBQOSA-N 2 1 297.446 3.365 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000351569518 219130255 /nfs/dbraw/zinc/13/02/55/219130255.db2.gz ULYRQGMYQBLVAW-SZMVWBNQSA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000351569518 219130258 /nfs/dbraw/zinc/13/02/58/219130258.db2.gz ULYRQGMYQBLVAW-SZMVWBNQSA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351569518 219130260 /nfs/dbraw/zinc/13/02/60/219130260.db2.gz ULYRQGMYQBLVAW-SZMVWBNQSA-N 2 1 272.436 3.064 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000351592706 219138146 /nfs/dbraw/zinc/13/81/46/219138146.db2.gz APJOQCPKRPIQTP-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000351592706 219138148 /nfs/dbraw/zinc/13/81/48/219138148.db2.gz APJOQCPKRPIQTP-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000351592706 219138150 /nfs/dbraw/zinc/13/81/50/219138150.db2.gz APJOQCPKRPIQTP-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423250552 529978781 /nfs/dbraw/zinc/97/87/81/529978781.db2.gz UKRIASJRQIWFCK-UKRRQHHQSA-N 2 1 266.816 3.175 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423278465 529999441 /nfs/dbraw/zinc/99/94/41/529999441.db2.gz QYPWZPOQJSUDME-GJZGRUSLSA-N 2 1 299.418 3.380 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423255767 529999504 /nfs/dbraw/zinc/99/95/04/529999504.db2.gz ASVRBWYSSJBQKU-QWRGUYRKSA-N 2 1 290.329 3.091 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000423255769 529999605 /nfs/dbraw/zinc/99/96/05/529999605.db2.gz ASVRBWYSSJBQKU-WDEREUQCSA-N 2 1 290.329 3.091 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000423279954 529999633 /nfs/dbraw/zinc/99/96/33/529999633.db2.gz TVAVRGPULNMOCJ-VHSXEESVSA-N 2 1 275.223 3.500 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000369721722 530051091 /nfs/dbraw/zinc/05/10/91/530051091.db2.gz OSQHXQOKOBFCTI-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC000374179639 530051120 /nfs/dbraw/zinc/05/11/20/530051120.db2.gz UZIKBEOKBTXIES-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000040622221 344964311 /nfs/dbraw/zinc/96/43/11/344964311.db2.gz UYMNXZRXOUFVMW-LLVKDONJSA-N 2 1 272.845 3.221 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000040622221 344964313 /nfs/dbraw/zinc/96/43/13/344964313.db2.gz UYMNXZRXOUFVMW-LLVKDONJSA-N 2 1 272.845 3.221 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040640732 344965082 /nfs/dbraw/zinc/96/50/82/344965082.db2.gz NTKVXNRGTVBVNG-QGZVFWFLSA-N 2 1 290.451 3.294 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000044532951 345013048 /nfs/dbraw/zinc/01/30/48/345013048.db2.gz UXNPEZOWRDWFKQ-SUMWQHHRSA-N 2 1 276.399 3.208 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000044534851 345013340 /nfs/dbraw/zinc/01/33/40/345013340.db2.gz ZWEVSYUYKZRIKU-PBHICJAKSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)o1 ZINC000273243099 192085210 /nfs/dbraw/zinc/08/52/10/192085210.db2.gz BYLPHBKNIBKYPP-YPMHNXCESA-N 2 1 275.396 3.388 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054240921 345131126 /nfs/dbraw/zinc/13/11/26/345131126.db2.gz DOSLIGNJUOMGBM-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1ccc([C@@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000067383165 345319918 /nfs/dbraw/zinc/31/99/18/345319918.db2.gz JDWROLSRWRSOCM-MRXNPFEDSA-N 2 1 284.407 3.117 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000070174727 345388207 /nfs/dbraw/zinc/38/82/07/345388207.db2.gz GUOLWVWSJSHCIB-UONOGXRCSA-N 2 1 296.842 3.168 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000156169386 232226674 /nfs/dbraw/zinc/22/66/74/232226674.db2.gz OPGYLELBNDOWBX-YWPYICTPSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000156169386 232226676 /nfs/dbraw/zinc/22/66/76/232226676.db2.gz OPGYLELBNDOWBX-YWPYICTPSA-N 2 1 266.816 3.473 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000090418255 345786829 /nfs/dbraw/zinc/78/68/29/345786829.db2.gz YOOCRHQCTACECO-HLVVYCRESA-N 2 1 279.453 3.117 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519312 345898420 /nfs/dbraw/zinc/89/84/20/345898420.db2.gz BWSZXBDPXXFHEN-MRXNPFEDSA-N 2 1 272.436 3.384 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000125010076 346014915 /nfs/dbraw/zinc/01/49/15/346014915.db2.gz GFAJXKOGVGJGSS-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000125010076 346014918 /nfs/dbraw/zinc/01/49/18/346014918.db2.gz GFAJXKOGVGJGSS-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000125010076 346014921 /nfs/dbraw/zinc/01/49/21/346014921.db2.gz GFAJXKOGVGJGSS-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000125010076 346014923 /nfs/dbraw/zinc/01/49/23/346014923.db2.gz GFAJXKOGVGJGSS-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)oc2cc1C ZINC000125522709 346017432 /nfs/dbraw/zinc/01/74/32/346017432.db2.gz XTIJPYHBSAAGGC-HNNXBMFYSA-N 2 1 286.419 3.433 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)oc2cc1C ZINC000125522709 346017438 /nfs/dbraw/zinc/01/74/38/346017438.db2.gz XTIJPYHBSAAGGC-HNNXBMFYSA-N 2 1 286.419 3.433 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000129033114 346046554 /nfs/dbraw/zinc/04/65/54/346046554.db2.gz PJBZNHZWRCEZBJ-RHSMWYFYSA-N 2 1 284.403 3.030 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccnc2ccccc12 ZINC000156696209 346159506 /nfs/dbraw/zinc/15/95/06/346159506.db2.gz OFRKRKWBSBTPML-INIZCTEOSA-N 2 1 271.408 3.040 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000232645631 346326660 /nfs/dbraw/zinc/32/66/60/346326660.db2.gz JCOPIRIGBYFUHA-BHYGNILZSA-N 2 1 264.457 3.299 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)([NH+](C)C)C1 ZINC000251847457 346389921 /nfs/dbraw/zinc/38/99/21/346389921.db2.gz OROGEVSEWWWQMI-NQNKBUKLSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000312020866 346476188 /nfs/dbraw/zinc/47/61/88/346476188.db2.gz WCMJNHZGHUYPEJ-IGCXYCKISA-N 2 1 254.377 3.322 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000312628061 346477413 /nfs/dbraw/zinc/47/74/13/346477413.db2.gz RPNRIBOXIUDIJB-FUHWJXTLSA-N 2 1 272.436 3.358 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c(C)s1 ZINC000313965553 346481374 /nfs/dbraw/zinc/48/13/74/346481374.db2.gz JKKPTAUTTBCJII-GFCCVEGCSA-N 2 1 277.437 3.382 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000400120448 346588660 /nfs/dbraw/zinc/58/86/60/346588660.db2.gz PAJGUWWYKCAWLN-VXUHYDPTSA-N 2 1 264.457 3.131 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCCC12CCCC2)C1CC1 ZINC000584853551 346719063 /nfs/dbraw/zinc/71/90/63/346719063.db2.gz HFTPWKJABZFLLJ-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nccs2)c1 ZINC000589646450 346806809 /nfs/dbraw/zinc/80/68/09/346806809.db2.gz VUOCLEOXXZDPHC-UHFFFAOYSA-N 2 1 289.448 3.273 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nccs2)c1 ZINC000589646450 346806812 /nfs/dbraw/zinc/80/68/12/346806812.db2.gz VUOCLEOXXZDPHC-UHFFFAOYSA-N 2 1 289.448 3.273 20 0 CGADMP C[C@@H](CSCCF)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000595005339 347254348 /nfs/dbraw/zinc/25/43/48/347254348.db2.gz XHLQMVQAAPDDIL-AWEZNQCLSA-N 2 1 290.492 3.322 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000624121399 349978843 /nfs/dbraw/zinc/97/88/43/349978843.db2.gz VJQZGDNJDQWLBU-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120759 349978882 /nfs/dbraw/zinc/97/88/82/349978882.db2.gz GJVTVSSARBGRQG-HZPDHXFCSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121893 349980094 /nfs/dbraw/zinc/98/00/94/349980094.db2.gz FTPWGMIEDPOFPU-ZBFHGGJFSA-N 2 1 280.481 3.391 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120692 349978336 /nfs/dbraw/zinc/97/83/36/349978336.db2.gz FGRVLAKESUTITB-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121228 349978533 /nfs/dbraw/zinc/97/85/33/349978533.db2.gz QNEGJVCMDXZCPZ-CABCVRRESA-N 2 1 280.481 3.391 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCC1 ZINC000624123024 349981340 /nfs/dbraw/zinc/98/13/40/349981340.db2.gz DKABVFPDIXUALX-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122133 349980659 /nfs/dbraw/zinc/98/06/59/349980659.db2.gz KMHHNGCTFATZLI-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000624123678 349983341 /nfs/dbraw/zinc/98/33/41/349983341.db2.gz QGVYCONKEWBGDA-OWCLPIDISA-N 2 1 270.436 3.226 20 0 CGADMP CC(C)CSCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339440940 215174008 /nfs/dbraw/zinc/17/40/08/215174008.db2.gz KSAUCQHJURLFSI-MRXNPFEDSA-N 2 1 284.513 3.183 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339440940 215174011 /nfs/dbraw/zinc/17/40/11/215174011.db2.gz KSAUCQHJURLFSI-MRXNPFEDSA-N 2 1 284.513 3.183 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339440940 215174013 /nfs/dbraw/zinc/17/40/13/215174013.db2.gz KSAUCQHJURLFSI-MRXNPFEDSA-N 2 1 284.513 3.183 20 0 CGADMP CC(C)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273383287 192134443 /nfs/dbraw/zinc/13/44/43/192134443.db2.gz CIVPRBVSAOANGB-FUHWJXTLSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273383287 192134445 /nfs/dbraw/zinc/13/44/45/192134445.db2.gz CIVPRBVSAOANGB-FUHWJXTLSA-N 2 1 290.451 3.054 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(C)C)CC1 ZINC000613491462 348610870 /nfs/dbraw/zinc/61/08/70/348610870.db2.gz SUAQPWXMWRHCDA-UHFFFAOYSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000358054989 233048486 /nfs/dbraw/zinc/04/84/86/233048486.db2.gz BKKWYZVGWNRHNB-RHSMWYFYSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000358054989 233048489 /nfs/dbraw/zinc/04/84/89/233048489.db2.gz BKKWYZVGWNRHNB-RHSMWYFYSA-N 2 1 288.435 3.048 20 0 CGADMP FC(F)(F)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000624274195 350016520 /nfs/dbraw/zinc/01/65/20/350016520.db2.gz VIKFHTVPMXBKHX-UHFFFAOYSA-N 2 1 290.373 3.326 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359187922 233277222 /nfs/dbraw/zinc/27/72/22/233277222.db2.gz KANAZJMBXKZXOG-CYBMUJFWSA-N 2 1 264.388 3.208 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359197755 233278824 /nfs/dbraw/zinc/27/88/24/233278824.db2.gz VMZPAUUGDXXKID-SFHVURJKSA-N 2 1 290.426 3.222 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000625264996 350150134 /nfs/dbraw/zinc/15/01/34/350150134.db2.gz PBVCTEXHHFWJLG-BSDSXHPESA-N 2 1 296.499 3.386 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280707 191045870 /nfs/dbraw/zinc/04/58/70/191045870.db2.gz MAJNCBKOLJKADK-WBVHZDCISA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280707 191045873 /nfs/dbraw/zinc/04/58/73/191045873.db2.gz MAJNCBKOLJKADK-WBVHZDCISA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280707 191045876 /nfs/dbraw/zinc/04/58/76/191045876.db2.gz MAJNCBKOLJKADK-WBVHZDCISA-N 2 1 283.419 3.084 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654364 350192050 /nfs/dbraw/zinc/19/20/50/350192050.db2.gz NMYRDGMCBKIFRL-STQMWFEESA-N 2 1 285.382 3.195 20 0 CGADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCCC1 ZINC000625680424 350195360 /nfs/dbraw/zinc/19/53/60/350195360.db2.gz FKAMKJOFRDAYPY-OKILXGFUSA-N 2 1 272.383 3.125 20 0 CGADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCCC1 ZINC000625680424 350195363 /nfs/dbraw/zinc/19/53/63/350195363.db2.gz FKAMKJOFRDAYPY-OKILXGFUSA-N 2 1 272.383 3.125 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cc(C)ccc1C ZINC000626020405 350249159 /nfs/dbraw/zinc/24/91/59/350249159.db2.gz KJLOCGRYGIDLEN-AEFFLSMTSA-N 2 1 292.467 3.045 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cc(C)ccc1C ZINC000626020405 350249162 /nfs/dbraw/zinc/24/91/62/350249162.db2.gz KJLOCGRYGIDLEN-AEFFLSMTSA-N 2 1 292.467 3.045 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCS1 ZINC000628181438 350426125 /nfs/dbraw/zinc/42/61/25/350426125.db2.gz CKICFSGXQZWQQQ-HOTGVXAUSA-N 2 1 282.497 3.222 20 0 CGADMP Cc1nc(C)c(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000628202827 350439292 /nfs/dbraw/zinc/43/92/92/350439292.db2.gz JIQAPPAPAXGOIM-CYBMUJFWSA-N 2 1 279.428 3.036 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628204609 350439427 /nfs/dbraw/zinc/43/94/27/350439427.db2.gz FRWJAKDSQNWIPR-JKSUJKDBSA-N 2 1 260.425 3.030 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCF)CC[N@@H+]1Cc1ccccc1 ZINC000361000912 233541392 /nfs/dbraw/zinc/54/13/92/233541392.db2.gz CYTLCBSNMJYCRN-DOTOQJQBSA-N 2 1 278.415 3.379 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCF)CC[N@H+]1Cc1ccccc1 ZINC000361000912 233541395 /nfs/dbraw/zinc/54/13/95/233541395.db2.gz CYTLCBSNMJYCRN-DOTOQJQBSA-N 2 1 278.415 3.379 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000629540480 350706936 /nfs/dbraw/zinc/70/69/36/350706936.db2.gz UYRAUTAXHOVFPX-KDOFPFPSSA-N 2 1 289.467 3.463 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629541722 350707538 /nfs/dbraw/zinc/70/75/38/350707538.db2.gz UUWQRRPONKQTJF-NCOADZHNSA-N 2 1 287.451 3.146 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2c1 ZINC000629540484 350707544 /nfs/dbraw/zinc/70/75/44/350707544.db2.gz PNGZIJSUAQVZJI-RKVPGOIHSA-N 2 1 297.446 3.348 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631065278 350940663 /nfs/dbraw/zinc/94/06/63/350940663.db2.gz PXFGBVNFNWGGTO-CQSZACIVSA-N 2 1 297.393 3.229 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631065278 350940666 /nfs/dbraw/zinc/94/06/66/350940666.db2.gz PXFGBVNFNWGGTO-CQSZACIVSA-N 2 1 297.393 3.229 20 0 CGADMP c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000631648822 351105579 /nfs/dbraw/zinc/10/55/79/351105579.db2.gz RTLQWHGDAVUSMG-QFBILLFUSA-N 2 1 299.462 3.171 20 0 CGADMP CC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631668535 351113674 /nfs/dbraw/zinc/11/36/74/351113674.db2.gz YPKGQJYLYKJEOK-VYDXJSESSA-N 2 1 260.425 3.143 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(C)ccn1 ZINC000631569541 351069836 /nfs/dbraw/zinc/06/98/36/351069836.db2.gz KDJIAXJLXMXDSU-CVEARBPZSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(C)ccn1 ZINC000631569541 351069840 /nfs/dbraw/zinc/06/98/40/351069840.db2.gz KDJIAXJLXMXDSU-CVEARBPZSA-N 2 1 275.440 3.163 20 0 CGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887623 351151769 /nfs/dbraw/zinc/15/17/69/351151769.db2.gz SNOBWSDWOXBYGQ-HIFRSBDPSA-N 2 1 298.352 3.279 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2c1 ZINC000634688263 351573945 /nfs/dbraw/zinc/57/39/45/351573945.db2.gz NILNWXBSGCZZMO-AEFFLSMTSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1cc(C)c(CN2CC[C@@H](C[NH3+])c3ccccc32)c(C)[nH+]1 ZINC000634690718 351575106 /nfs/dbraw/zinc/57/51/06/351575106.db2.gz RKERCSKWRLUOJH-INIZCTEOSA-N 2 1 295.430 3.459 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2Cl)C1 ZINC000339843267 215360619 /nfs/dbraw/zinc/36/06/19/215360619.db2.gz HQEUIXPHGGWNRT-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2Cl)C1 ZINC000339843267 215360621 /nfs/dbraw/zinc/36/06/21/215360621.db2.gz HQEUIXPHGGWNRT-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000339843267 215360624 /nfs/dbraw/zinc/36/06/24/215360624.db2.gz HQEUIXPHGGWNRT-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000339843267 215360625 /nfs/dbraw/zinc/36/06/25/215360625.db2.gz HQEUIXPHGGWNRT-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP COCc1ccccc1/C=C(/C)C[NH2+]CCn1cc[nH+]c1C ZINC000352281229 219393627 /nfs/dbraw/zinc/39/36/27/219393627.db2.gz LNDUZOCKOAMRFU-QINSGFPZSA-N 2 1 299.418 3.031 20 0 CGADMP Fc1ccc([C@@H]2CCCC[N@H+]2CCn2ccnc2)c(F)c1 ZINC000367240298 234197842 /nfs/dbraw/zinc/19/78/42/234197842.db2.gz JIRKRJSLVRFRTM-INIZCTEOSA-N 2 1 291.345 3.389 20 0 CGADMP Fc1ccc([C@@H]2CCCCN2CCn2ccnc2)c(F)c1 ZINC000367240298 234197844 /nfs/dbraw/zinc/19/78/44/234197844.db2.gz JIRKRJSLVRFRTM-INIZCTEOSA-N 2 1 291.345 3.389 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCF)C1 ZINC000367544897 234226286 /nfs/dbraw/zinc/22/62/86/234226286.db2.gz QLHNZTICMCZQRI-HOTGVXAUSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCF)C1 ZINC000367544897 234226291 /nfs/dbraw/zinc/22/62/91/234226291.db2.gz QLHNZTICMCZQRI-HOTGVXAUSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCF)C1 ZINC000367544897 234226294 /nfs/dbraw/zinc/22/62/94/234226294.db2.gz QLHNZTICMCZQRI-HOTGVXAUSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795202 188162227 /nfs/dbraw/zinc/16/22/27/188162227.db2.gz SNYBEDBBHVYKRB-HLLBOEOZSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795202 188162229 /nfs/dbraw/zinc/16/22/29/188162229.db2.gz SNYBEDBBHVYKRB-HLLBOEOZSA-N 2 1 298.434 3.006 20 0 CGADMP COC[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000155427170 188205842 /nfs/dbraw/zinc/20/58/42/188205842.db2.gz PXZKHOROEKQSBI-ZIAGYGMSSA-N 2 1 287.407 3.114 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000156287391 188253014 /nfs/dbraw/zinc/25/30/14/188253014.db2.gz HFVDUPDQEWJNIB-YWPYICTPSA-N 2 1 266.454 3.129 20 0 CGADMP Cn1cccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000369543176 234383458 /nfs/dbraw/zinc/38/34/58/234383458.db2.gz BUCWSZBXHPQEON-UHFFFAOYSA-N 2 1 289.467 3.159 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292702811 198382278 /nfs/dbraw/zinc/38/22/78/198382278.db2.gz CMJVOLJUPXCQND-GOSISDBHSA-N 2 1 288.435 3.071 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271884012 191387557 /nfs/dbraw/zinc/38/75/57/191387557.db2.gz QHGGNYLJBOFJCP-OAHLLOKOSA-N 2 1 288.435 3.386 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)oc1C ZINC000414192582 235359879 /nfs/dbraw/zinc/35/98/79/235359879.db2.gz SLWCDXLQRCTXHA-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000105480738 138352823 /nfs/dbraw/zinc/35/28/23/138352823.db2.gz YZXCMYFBBYJMJQ-FZMZJTMJSA-N 2 1 286.341 3.135 20 0 CGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000124718390 138377673 /nfs/dbraw/zinc/37/76/73/138377673.db2.gz TVMFIAGQLZBURT-CQSZACIVSA-N 2 1 257.381 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000124718390 138377674 /nfs/dbraw/zinc/37/76/74/138377674.db2.gz TVMFIAGQLZBURT-CQSZACIVSA-N 2 1 257.381 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000124718390 138377675 /nfs/dbraw/zinc/37/76/75/138377675.db2.gz TVMFIAGQLZBURT-CQSZACIVSA-N 2 1 257.381 3.275 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000125967598 138384416 /nfs/dbraw/zinc/38/44/16/138384416.db2.gz ICQPMPNVOPNNOK-JKSUJKDBSA-N 2 1 292.471 3.235 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000125967598 138384417 /nfs/dbraw/zinc/38/44/17/138384417.db2.gz ICQPMPNVOPNNOK-JKSUJKDBSA-N 2 1 292.471 3.235 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000127311866 138389172 /nfs/dbraw/zinc/38/91/72/138389172.db2.gz CJTIQEWYSRAGHU-INIZCTEOSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000127311866 138389173 /nfs/dbraw/zinc/38/91/73/138389173.db2.gz CJTIQEWYSRAGHU-INIZCTEOSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000130243378 138399992 /nfs/dbraw/zinc/39/99/92/138399992.db2.gz FJSCTWOSULVFLI-USXIJHARSA-N 2 1 258.409 3.272 20 0 CGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423258062 236012059 /nfs/dbraw/zinc/01/20/59/236012059.db2.gz AWYBWYOIPSCYFI-FMKPAKJESA-N 2 1 278.440 3.150 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423307375 236033123 /nfs/dbraw/zinc/03/31/23/236033123.db2.gz NBEOBRPVTLBWDO-GHMZBOCLSA-N 2 1 293.411 3.195 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423320268 236037032 /nfs/dbraw/zinc/03/70/32/236037032.db2.gz MGNFAOALZFADAU-CABZTGNLSA-N 2 1 281.469 3.137 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423334048 236041856 /nfs/dbraw/zinc/04/18/56/236041856.db2.gz QIARZOWBVSYBOJ-YOEHRIQHSA-N 2 1 276.424 3.126 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000423341165 236044113 /nfs/dbraw/zinc/04/41/13/236044113.db2.gz MLMAOSNOXVEMFR-VHSXEESVSA-N 2 1 273.207 3.254 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C2CCC2)o1 ZINC000423370934 236053074 /nfs/dbraw/zinc/05/30/74/236053074.db2.gz FBALDNMAHVKCJV-DIOULYMOSA-N 2 1 262.397 3.159 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423406592 236066695 /nfs/dbraw/zinc/06/66/95/236066695.db2.gz UWOSEYZZUSOWJV-WHOFXGATSA-N 2 1 266.816 3.303 20 0 CGADMP CCOc1ccc([C@H](CC)[NH2+][C@H](C)[C@H](C)[NH3+])cc1OCC ZINC000423453747 236073780 /nfs/dbraw/zinc/07/37/80/236073780.db2.gz YAPAVTLYKWEKDC-GUTXKFCHSA-N 2 1 294.439 3.260 20 0 CGADMP CCOc1ccccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424375820 236157991 /nfs/dbraw/zinc/15/79/91/236157991.db2.gz KDKWBWZYQXDQDS-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]([NH2+][C@H]1CC12CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424326279 236150156 /nfs/dbraw/zinc/15/01/56/236150156.db2.gz OTWTWZAYODPTSN-XIRDDKMYSA-N 2 1 270.420 3.039 20 0 CGADMP c1c2ccccc2sc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427139375 236323889 /nfs/dbraw/zinc/32/38/89/236323889.db2.gz FYMKKNVGMLYOOJ-HIFRSBDPSA-N 2 1 272.417 3.085 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427139375 236323890 /nfs/dbraw/zinc/32/38/90/236323890.db2.gz FYMKKNVGMLYOOJ-HIFRSBDPSA-N 2 1 272.417 3.085 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129872301 535420513 /nfs/dbraw/zinc/42/05/13/535420513.db2.gz PZYASIAKGUGMOX-YCPHGPKFSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129872301 535420519 /nfs/dbraw/zinc/42/05/19/535420519.db2.gz PZYASIAKGUGMOX-YCPHGPKFSA-N 2 1 276.424 3.219 20 0 CGADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000430917114 236603789 /nfs/dbraw/zinc/60/37/89/236603789.db2.gz CFVIBYKRSZPKCN-LBPRGKRZSA-N 2 1 293.480 3.360 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000436275906 237069076 /nfs/dbraw/zinc/06/90/76/237069076.db2.gz PXERFEPDEVRBJN-YTQUADARSA-N 2 1 286.463 3.328 20 0 CGADMP c1cn(CCC[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc12 ZINC000297301155 200140140 /nfs/dbraw/zinc/14/01/40/200140140.db2.gz ABXKIHJMPCKBIU-UHFFFAOYSA-N 2 1 297.446 3.248 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3cccc(Cl)c3)C2)C1 ZINC000297532703 200221681 /nfs/dbraw/zinc/22/16/81/200221681.db2.gz XWUIOWBXDNDGCW-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3cccc(Cl)c3)C2)C1 ZINC000297532703 200221682 /nfs/dbraw/zinc/22/16/82/200221682.db2.gz XWUIOWBXDNDGCW-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3cccc(Cl)c3)C2)C1 ZINC000297532703 200221683 /nfs/dbraw/zinc/22/16/83/200221683.db2.gz XWUIOWBXDNDGCW-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3cccc(Cl)c3)C2)C1 ZINC000297532703 200221684 /nfs/dbraw/zinc/22/16/84/200221684.db2.gz XWUIOWBXDNDGCW-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cccc(COC(C)(C)C)c2)CC1 ZINC000177279113 189041492 /nfs/dbraw/zinc/04/14/92/189041492.db2.gz UACXUSATBNKQMW-UHFFFAOYSA-N 2 1 290.451 3.186 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCC1 ZINC000178619870 189131689 /nfs/dbraw/zinc/13/16/89/189131689.db2.gz XHCINXDKPORZBE-FUHWJXTLSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000342271833 216284279 /nfs/dbraw/zinc/28/42/79/216284279.db2.gz YNBCLUCMPGPLTF-INIZCTEOSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181169632 189290128 /nfs/dbraw/zinc/29/01/28/189290128.db2.gz DEWRMQJCXDOVDR-LZLYRXPVSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181169632 189290129 /nfs/dbraw/zinc/29/01/29/189290129.db2.gz DEWRMQJCXDOVDR-LZLYRXPVSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181169650 189290143 /nfs/dbraw/zinc/29/01/43/189290143.db2.gz DEWRMQJCXDOVDR-NUJGCVRESA-N 2 1 274.452 3.307 20 0 CGADMP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181169650 189290144 /nfs/dbraw/zinc/29/01/44/189290144.db2.gz DEWRMQJCXDOVDR-NUJGCVRESA-N 2 1 274.452 3.307 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)cc1C ZINC000182227467 189317847 /nfs/dbraw/zinc/31/78/47/189317847.db2.gz IBSAFUSAMGHWLF-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)cc1C ZINC000182227467 189317848 /nfs/dbraw/zinc/31/78/48/189317848.db2.gz IBSAFUSAMGHWLF-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1nc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c(C)[nH+]1 ZINC000301794476 201201550 /nfs/dbraw/zinc/20/15/50/201201550.db2.gz SJATVKYISMYYOV-INIZCTEOSA-N 2 1 290.455 3.182 20 0 CGADMP Cc1nc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)c(C)[nH+]1 ZINC000301794476 201201553 /nfs/dbraw/zinc/20/15/53/201201553.db2.gz SJATVKYISMYYOV-INIZCTEOSA-N 2 1 290.455 3.182 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083061 239166326 /nfs/dbraw/zinc/16/63/26/239166326.db2.gz RUUQPVSRVLVVBK-OWCLPIDISA-N 2 1 278.440 3.168 20 0 CGADMP COCC1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000449201604 239240683 /nfs/dbraw/zinc/24/06/83/239240683.db2.gz ITRDCOWDBPQUCQ-DAWZGUTISA-N 2 1 296.499 3.292 20 0 CGADMP COCC1CCC([NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000449201604 239240687 /nfs/dbraw/zinc/24/06/87/239240687.db2.gz ITRDCOWDBPQUCQ-DAWZGUTISA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449169665 239218876 /nfs/dbraw/zinc/21/88/76/239218876.db2.gz HIXUHGSXDFNWTF-HSMVNMDESA-N 2 1 282.378 3.141 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CC/C=C\c3ccccc3)C2)C1 ZINC000451064910 240210426 /nfs/dbraw/zinc/21/04/26/240210426.db2.gz TWMKZFXBFLEBES-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC/C=C\c3ccccc3)C2)C1 ZINC000451064910 240210430 /nfs/dbraw/zinc/21/04/30/240210430.db2.gz TWMKZFXBFLEBES-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP Cc1nccn1CC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000451187939 240241541 /nfs/dbraw/zinc/24/15/41/240241541.db2.gz PYTRUJOCELPTMG-RKVPGOIHSA-N 2 1 283.419 3.458 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275367306 193011596 /nfs/dbraw/zinc/01/15/96/193011596.db2.gz BUCVMEKZPXWAMX-MSOLQXFVSA-N 2 1 297.446 3.365 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000120793665 370800371 /nfs/dbraw/zinc/80/03/71/370800371.db2.gz QYDGENSYMDLPPO-HNNXBMFYSA-N 2 1 284.403 3.378 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000120793665 370800374 /nfs/dbraw/zinc/80/03/74/370800374.db2.gz QYDGENSYMDLPPO-HNNXBMFYSA-N 2 1 284.403 3.378 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120764075 370797274 /nfs/dbraw/zinc/79/72/74/370797274.db2.gz HDXAKZRZDAVNHF-OAHLLOKOSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000120764075 370797279 /nfs/dbraw/zinc/79/72/79/370797279.db2.gz HDXAKZRZDAVNHF-OAHLLOKOSA-N 2 1 264.413 3.046 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C)c1ccccc1 ZINC000275462888 193048325 /nfs/dbraw/zinc/04/83/25/193048325.db2.gz HDAUXIQOFZPKFB-PMPSAXMXSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000275720019 193112979 /nfs/dbraw/zinc/11/29/79/193112979.db2.gz SLSJQYJFQSEZLN-VYDXJSESSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000275720019 193112980 /nfs/dbraw/zinc/11/29/80/193112980.db2.gz SLSJQYJFQSEZLN-VYDXJSESSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000275720019 193112982 /nfs/dbraw/zinc/11/29/82/193112982.db2.gz SLSJQYJFQSEZLN-VYDXJSESSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000275720019 193112984 /nfs/dbraw/zinc/11/29/84/193112984.db2.gz SLSJQYJFQSEZLN-VYDXJSESSA-N 2 1 260.425 3.062 20 0 CGADMP c1ccc(-c2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2)nc1 ZINC000335560664 212266927 /nfs/dbraw/zinc/26/69/27/212266927.db2.gz KRQNBQPQOHKLTR-UHFFFAOYSA-N 2 1 293.414 3.077 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCc2ccccc2C1 ZINC000121098180 370829325 /nfs/dbraw/zinc/82/93/25/370829325.db2.gz FNGXDFYFVCXZPD-UHFFFAOYSA-N 2 1 283.419 3.420 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCc2ccccc2C1 ZINC000121098180 370829331 /nfs/dbraw/zinc/82/93/31/370829331.db2.gz FNGXDFYFVCXZPD-UHFFFAOYSA-N 2 1 283.419 3.420 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC[NH2+]C1 ZINC000261716687 291380808 /nfs/dbraw/zinc/38/08/08/291380808.db2.gz FFOAYXDBFPBEKS-STQMWFEESA-N 2 1 290.373 3.041 20 0 CGADMP C[C@H]1C[C@]1([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000459430505 242105050 /nfs/dbraw/zinc/10/50/50/242105050.db2.gz IVHGPNPFTYGCLF-BLLLJJGKSA-N 2 1 289.810 3.141 20 0 CGADMP C1=C(CC[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000459483949 242123474 /nfs/dbraw/zinc/12/34/74/242123474.db2.gz STGCROSCKXWOIX-UHFFFAOYSA-N 2 1 262.441 3.483 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000459361317 242089240 /nfs/dbraw/zinc/08/92/40/242089240.db2.gz GESLBBMHWHXBNE-XGXHKWSGSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000459361317 242089246 /nfs/dbraw/zinc/08/92/46/242089246.db2.gz GESLBBMHWHXBNE-XGXHKWSGSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000459361317 242089249 /nfs/dbraw/zinc/08/92/49/242089249.db2.gz GESLBBMHWHXBNE-XGXHKWSGSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000459633658 242155581 /nfs/dbraw/zinc/15/55/81/242155581.db2.gz DPTNKFSUENGOBA-FUHWJXTLSA-N 2 1 289.467 3.257 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459723835 242192339 /nfs/dbraw/zinc/19/23/39/242192339.db2.gz DBALCUIAGZYVIW-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP Cc1cccc(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459725963 242194369 /nfs/dbraw/zinc/19/43/69/242194369.db2.gz FTLPSOXDSLOIAP-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1(c2ccccc2)CCCC1 ZINC000423184351 299374322 /nfs/dbraw/zinc/37/43/22/299374322.db2.gz IKTYLDZGRLHRGX-DOTOQJQBSA-N 2 1 272.436 3.229 20 0 CGADMP C[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459797915 242239488 /nfs/dbraw/zinc/23/94/88/242239488.db2.gz XFTKNQCBGHGHQD-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP C[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000459770767 242223730 /nfs/dbraw/zinc/22/37/30/242223730.db2.gz HSYYCLUHBWDUOC-KGLIPLIRSA-N 2 1 296.405 3.390 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000459780894 242230536 /nfs/dbraw/zinc/23/05/36/242230536.db2.gz LTQLWWFSTFGIQP-DQWBNOTDSA-N 2 1 294.389 3.300 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCSCc2ccccc2)C1 ZINC000459796027 242236951 /nfs/dbraw/zinc/23/69/51/242236951.db2.gz VYCZFROYFSYNKD-INIZCTEOSA-N 2 1 292.492 3.241 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000121478454 370864265 /nfs/dbraw/zinc/86/42/65/370864265.db2.gz CCBGKACETYPOGF-KGLIPLIRSA-N 2 1 289.398 3.188 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000479452013 243105150 /nfs/dbraw/zinc/10/51/50/243105150.db2.gz HXLQEDILXIHIDP-WMLDXEAASA-N 2 1 260.425 3.211 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479675269 243119030 /nfs/dbraw/zinc/11/90/30/243119030.db2.gz KAJOPNIIGASFKW-IBGZPJMESA-N 2 1 286.463 3.392 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000482022291 243215423 /nfs/dbraw/zinc/21/54/23/243215423.db2.gz QRQHXVOOGWHYFH-WBVHZDCISA-N 2 1 274.452 3.202 20 0 CGADMP Cc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1F ZINC000480936383 243169487 /nfs/dbraw/zinc/16/94/87/243169487.db2.gz NFAFEBZTPHUDPF-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000483843407 243301324 /nfs/dbraw/zinc/30/13/24/243301324.db2.gz VMNGNPYQJSBDRO-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C(C)C)[C@H](C)C1 ZINC000484178159 243308076 /nfs/dbraw/zinc/30/80/76/243308076.db2.gz QHBPPKUOLQFZLO-BBWFWOEESA-N 2 1 284.488 3.005 20 0 CGADMP COCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000124205597 370921126 /nfs/dbraw/zinc/92/11/26/370921126.db2.gz AEYOZZNDAGHHMD-HNNXBMFYSA-N 2 1 278.440 3.041 20 0 CGADMP CC[NH+]1CCC(N(C)Cc2cc3cc(F)ccc3o2)CC1 ZINC000125202328 370932721 /nfs/dbraw/zinc/93/27/21/370932721.db2.gz AZDWFLVCAGZHQC-UHFFFAOYSA-N 2 1 290.382 3.488 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(F)c1 ZINC000019905899 368778667 /nfs/dbraw/zinc/77/86/67/368778667.db2.gz ZVBVMHZEQODWPW-GFCCVEGCSA-N 2 1 252.377 3.064 20 0 CGADMP CCOc1ccccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000019912865 368782054 /nfs/dbraw/zinc/78/20/54/368782054.db2.gz UTPHOTDWHAJTMX-INIZCTEOSA-N 2 1 290.451 3.439 20 0 CGADMP CCOc1ccccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019912865 368782059 /nfs/dbraw/zinc/78/20/59/368782059.db2.gz UTPHOTDWHAJTMX-INIZCTEOSA-N 2 1 290.451 3.439 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000037150053 369069459 /nfs/dbraw/zinc/06/94/59/369069459.db2.gz FFDNYBKRZJWOGW-UHFFFAOYSA-N 2 1 252.427 3.102 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000037644104 369093635 /nfs/dbraw/zinc/09/36/35/369093635.db2.gz XVLZMUZKQNEORO-XJKSGUPXSA-N 2 1 264.388 3.208 20 0 CGADMP COc1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000037860285 369120491 /nfs/dbraw/zinc/12/04/91/369120491.db2.gz CLAGHHPZVBJRJQ-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP COc1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000037860285 369120495 /nfs/dbraw/zinc/12/04/95/369120495.db2.gz CLAGHHPZVBJRJQ-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000037786376 369113054 /nfs/dbraw/zinc/11/30/54/369113054.db2.gz GDFSNGRDOUBTSY-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000040518052 369159666 /nfs/dbraw/zinc/15/96/66/369159666.db2.gz FDWPMTPMEJFEBX-NDNKKMJESA-N 2 1 279.453 3.036 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000040518052 369159667 /nfs/dbraw/zinc/15/96/67/369159667.db2.gz FDWPMTPMEJFEBX-NDNKKMJESA-N 2 1 279.453 3.036 20 0 CGADMP COCC(C)(C)C[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000494358806 244283860 /nfs/dbraw/zinc/28/38/60/244283860.db2.gz WYGWYZNSWZCDDF-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1F ZINC000494897005 244328443 /nfs/dbraw/zinc/32/84/43/244328443.db2.gz WYTXUJWUCNVXAF-BFQNTYOBSA-N 2 1 287.382 3.454 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049553853 369409685 /nfs/dbraw/zinc/40/96/85/369409685.db2.gz FTIXDWXXVRNROT-NXEZZACHSA-N 2 1 260.834 3.392 20 0 CGADMP c1ccc2oc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000051907729 369456230 /nfs/dbraw/zinc/45/62/30/369456230.db2.gz YMHZYFGUTWOYRL-UHFFFAOYSA-N 2 1 299.418 3.136 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000128581929 370964265 /nfs/dbraw/zinc/96/42/65/370964265.db2.gz PRFNQYUFJLRRDO-KRWDZBQOSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000061909940 369611964 /nfs/dbraw/zinc/61/19/64/369611964.db2.gz XHYGGLAFSATESL-MIGBEJBISA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000062014470 369613995 /nfs/dbraw/zinc/61/39/95/369613995.db2.gz XANMSVMFMACQEE-GFCCVEGCSA-N 2 1 266.816 3.332 20 0 CGADMP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000069754104 369771044 /nfs/dbraw/zinc/77/10/44/369771044.db2.gz LHTQWRPYEYMOBB-UHFFFAOYSA-N 2 1 287.407 3.160 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148568 369782612 /nfs/dbraw/zinc/78/26/12/369782612.db2.gz GTUXAIBHHUYQRU-AWEZNQCLSA-N 2 1 264.438 3.112 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148516 369782878 /nfs/dbraw/zinc/78/28/78/369782878.db2.gz PKIFMAABFFQORE-INIZCTEOSA-N 2 1 276.424 3.179 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043399 370089911 /nfs/dbraw/zinc/08/99/11/370089911.db2.gz SQFULSYJYUOQIO-MUIFIZLQSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043399 370089916 /nfs/dbraw/zinc/08/99/16/370089916.db2.gz SQFULSYJYUOQIO-MUIFIZLQSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000092043399 370089921 /nfs/dbraw/zinc/08/99/21/370089921.db2.gz SQFULSYJYUOQIO-MUIFIZLQSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000092043399 370089926 /nfs/dbraw/zinc/08/99/26/370089926.db2.gz SQFULSYJYUOQIO-MUIFIZLQSA-N 2 1 288.435 3.319 20 0 CGADMP Fc1ccc(/C=C/C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597824 370144259 /nfs/dbraw/zinc/14/42/59/370144259.db2.gz BHNNZQJCHZATNI-IDOMTICXSA-N 2 1 288.410 3.257 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597824 370144263 /nfs/dbraw/zinc/14/42/63/370144263.db2.gz BHNNZQJCHZATNI-IDOMTICXSA-N 2 1 288.410 3.257 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093941025 370164683 /nfs/dbraw/zinc/16/46/83/370164683.db2.gz YHYQMPACVUYNPE-OAHLLOKOSA-N 2 1 277.456 3.135 20 0 CGADMP CCOCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000131545991 371114950 /nfs/dbraw/zinc/11/49/50/371114950.db2.gz LSAGBZBMUWXENM-CQSZACIVSA-N 2 1 287.407 3.258 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CCOCC1)CC(C)C ZINC000132944278 371214156 /nfs/dbraw/zinc/21/41/56/371214156.db2.gz XEMPMLLMKBJBIV-RDJZCZTQSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000133835139 371283182 /nfs/dbraw/zinc/28/31/82/371283182.db2.gz DODNTOCPMDQQCO-CPUCHLNUSA-N 2 1 292.442 3.422 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939401 371378396 /nfs/dbraw/zinc/37/83/96/371378396.db2.gz BTSMVPPOOHXVET-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939401 371378403 /nfs/dbraw/zinc/37/84/03/371378403.db2.gz BTSMVPPOOHXVET-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134939401 371378409 /nfs/dbraw/zinc/37/84/09/371378409.db2.gz BTSMVPPOOHXVET-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134939401 371378414 /nfs/dbraw/zinc/37/84/14/371378414.db2.gz BTSMVPPOOHXVET-QAPCUYQASA-N 2 1 288.410 3.274 20 0 CGADMP c1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939342 371378747 /nfs/dbraw/zinc/37/87/47/371378747.db2.gz PYEHADGAQRZTLI-MJGOQNOKSA-N 2 1 284.447 3.178 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939342 371378752 /nfs/dbraw/zinc/37/87/52/371378752.db2.gz PYEHADGAQRZTLI-MJGOQNOKSA-N 2 1 284.447 3.178 20 0 CGADMP c1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134939342 371378757 /nfs/dbraw/zinc/37/87/57/371378757.db2.gz PYEHADGAQRZTLI-MJGOQNOKSA-N 2 1 284.447 3.178 20 0 CGADMP c1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134939342 371378761 /nfs/dbraw/zinc/37/87/61/371378761.db2.gz PYEHADGAQRZTLI-MJGOQNOKSA-N 2 1 284.447 3.178 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000136255723 371471636 /nfs/dbraw/zinc/47/16/36/371471636.db2.gz OWBRHHIBDBONPE-UONOGXRCSA-N 2 1 276.399 3.003 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000136324722 371474232 /nfs/dbraw/zinc/47/42/32/371474232.db2.gz GUTVJCYDXACCLH-HUUCEWRRSA-N 2 1 278.440 3.033 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c(C)o1 ZINC000020437676 541855287 /nfs/dbraw/zinc/85/52/87/541855287.db2.gz DREKREJHETVNFN-GFCCVEGCSA-N 2 1 252.402 3.135 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(OC)CCCCC2)C1 ZINC000421823296 371645707 /nfs/dbraw/zinc/64/57/07/371645707.db2.gz CRFMMWLPWDGVMU-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1F ZINC000153041948 371745900 /nfs/dbraw/zinc/74/59/00/371745900.db2.gz GZWRUEZECHDPNN-LBPRGKRZSA-N 2 1 291.370 3.080 20 0 CGADMP CC(C)COc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422561884 371749302 /nfs/dbraw/zinc/74/93/02/371749302.db2.gz NZZHHOXRNYEUOW-UHFFFAOYSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000422762778 371791967 /nfs/dbraw/zinc/79/19/67/371791967.db2.gz MTQYHFQBFISCCF-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422731462 371772766 /nfs/dbraw/zinc/77/27/66/371772766.db2.gz LVBFHVIUDXDMAZ-IINYFYTJSA-N 2 1 287.234 3.471 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000422761675 371790517 /nfs/dbraw/zinc/79/05/17/371790517.db2.gz MCCOHNZREDFXDG-GYVWXKFASA-N 2 1 280.362 3.289 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)c2ccccc21 ZINC000422772471 371796945 /nfs/dbraw/zinc/79/69/45/371796945.db2.gz ZBOLEKPOLDTUHX-ZWKOTPCHSA-N 2 1 288.435 3.460 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1Oc1ccccc1)C1C[NH2+]C1 ZINC000422775886 371798992 /nfs/dbraw/zinc/79/89/92/371798992.db2.gz BQXVJPBNFJHROE-CQSZACIVSA-N 2 1 282.387 3.176 20 0 CGADMP C[C@@H]([NH2+]CCc1ccccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000422777059 371799083 /nfs/dbraw/zinc/79/90/83/371799083.db2.gz FBLMMNCRTBOXHM-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP CC[C@@H]1C[C@@]1([NH2+]CCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000337379980 214039592 /nfs/dbraw/zinc/03/95/92/214039592.db2.gz CORAQMAKSSZPOO-AEFFLSMTSA-N 2 1 283.419 3.415 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1(CC)CC ZINC000422836932 371834222 /nfs/dbraw/zinc/83/42/22/371834222.db2.gz LABBUWUJOGCYQQ-UHOFOFEASA-N 2 1 291.439 3.129 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@H](C)c3c[nH+]ccc3N)c[nH]c21 ZINC000422789597 371809239 /nfs/dbraw/zinc/80/92/39/371809239.db2.gz UKFIGWPNEUODOK-CYBMUJFWSA-N 2 1 294.402 3.177 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(F)cc1F ZINC000422799353 371816087 /nfs/dbraw/zinc/81/60/87/371816087.db2.gz WHSBKAMKCKTNAQ-MNOVXSKESA-N 2 1 291.345 3.227 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000422811439 371825090 /nfs/dbraw/zinc/82/50/90/371825090.db2.gz VYYIXEMQMCNSRS-BLLLJJGKSA-N 2 1 282.378 3.365 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422865452 371844788 /nfs/dbraw/zinc/84/47/88/371844788.db2.gz YECBREGGFFJWLO-QZTJIDSGSA-N 2 1 282.387 3.448 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422874316 371848358 /nfs/dbraw/zinc/84/83/58/371848358.db2.gz NIMPZWYNVJGLBY-MRXNPFEDSA-N 2 1 276.424 3.016 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422877524 371850098 /nfs/dbraw/zinc/85/00/98/371850098.db2.gz HZAASFBOOACFJE-GJZGRUSLSA-N 2 1 264.438 3.158 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422877999 371850284 /nfs/dbraw/zinc/85/02/84/371850284.db2.gz INCRUODSUGBKGU-RTBURBONSA-N 2 1 296.414 3.235 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000422922021 371871311 /nfs/dbraw/zinc/87/13/11/371871311.db2.gz PKHIVQTZMRHRSB-WQGACYEGSA-N 2 1 282.378 3.394 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940629 371881346 /nfs/dbraw/zinc/88/13/46/371881346.db2.gz HHJROGKIGWKNQI-CABCVRRESA-N 2 1 298.377 3.080 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422940492 371881571 /nfs/dbraw/zinc/88/15/71/371881571.db2.gz SWJAZCBBCLHCCY-CJNGLKHVSA-N 2 1 296.842 3.087 20 0 CGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422845674 371837945 /nfs/dbraw/zinc/83/79/45/371837945.db2.gz OOXDGLLZOVZRNR-BTQFLJHSSA-N 2 1 292.423 3.235 20 0 CGADMP CC(C)CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000154375337 371840775 /nfs/dbraw/zinc/84/07/75/371840775.db2.gz HQOAFXPTBSOHCP-QZTJIDSGSA-N 2 1 292.467 3.066 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422855015 371841275 /nfs/dbraw/zinc/84/12/75/371841275.db2.gz BSRDMJRETWIHKE-RTBURBONSA-N 2 1 296.414 3.498 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCSCC(C)C)C1 ZINC000155045105 371900639 /nfs/dbraw/zinc/90/06/39/371900639.db2.gz ZILMJNVJPRBMHK-HNNXBMFYSA-N 2 1 272.502 3.039 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000155045105 371900645 /nfs/dbraw/zinc/90/06/45/371900645.db2.gz ZILMJNVJPRBMHK-HNNXBMFYSA-N 2 1 272.502 3.039 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000155045105 371900649 /nfs/dbraw/zinc/90/06/49/371900649.db2.gz ZILMJNVJPRBMHK-HNNXBMFYSA-N 2 1 272.502 3.039 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000422981530 371901874 /nfs/dbraw/zinc/90/18/74/371901874.db2.gz ORFKTTFJCZFFNA-GJZGRUSLSA-N 2 1 258.365 3.182 20 0 CGADMP c1cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2o1 ZINC000290124033 371909689 /nfs/dbraw/zinc/90/96/89/371909689.db2.gz UJCSHHFGFHLNHX-INIZCTEOSA-N 2 1 284.403 3.351 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2o1 ZINC000290124033 371909700 /nfs/dbraw/zinc/90/97/00/371909700.db2.gz UJCSHHFGFHLNHX-INIZCTEOSA-N 2 1 284.403 3.351 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423006514 371912011 /nfs/dbraw/zinc/91/20/11/371912011.db2.gz VOPIFJUUXCIFCB-WMLDXEAASA-N 2 1 290.451 3.093 20 0 CGADMP CCOc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423008056 371912660 /nfs/dbraw/zinc/91/26/60/371912660.db2.gz ZFCRDKJYVPEYMC-YIONKMFJSA-N 2 1 294.826 3.111 20 0 CGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423008650 371912988 /nfs/dbraw/zinc/91/29/88/371912988.db2.gz AUAMNOLOEOUZTM-KBPBESRZSA-N 2 1 299.418 3.032 20 0 CGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423013287 371915157 /nfs/dbraw/zinc/91/51/57/371915157.db2.gz MMRNMUYMLFAOBD-IUODEOHRSA-N 2 1 296.842 3.011 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cl)cn1 ZINC000423016999 371916877 /nfs/dbraw/zinc/91/68/77/371916877.db2.gz NTAGDWGXUHFGQI-TZMCWYRMSA-N 2 1 281.831 3.135 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CCN1C ZINC000290166903 371918911 /nfs/dbraw/zinc/91/89/11/371918911.db2.gz YAYYDZYPIYUSQM-GRJAPKLVSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@@H](N(C)C/C=C/c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000290166903 371918917 /nfs/dbraw/zinc/91/89/17/371918917.db2.gz YAYYDZYPIYUSQM-GRJAPKLVSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@@H](N(C)C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000290166903 371918924 /nfs/dbraw/zinc/91/89/24/371918924.db2.gz YAYYDZYPIYUSQM-GRJAPKLVSA-N 2 1 294.389 3.393 20 0 CGADMP Cc1ccncc1CCC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000290184990 371927121 /nfs/dbraw/zinc/92/71/21/371927121.db2.gz ZMNYKAAIBMBNFI-KBPBESRZSA-N 2 1 264.438 3.148 20 0 CGADMP C[C@@H]([NH2+]C1CC(c2ccc(F)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423093912 371958608 /nfs/dbraw/zinc/95/86/08/371958608.db2.gz AOTJTJUBYQUNKL-VHBSBENZSA-N 2 1 296.817 3.455 20 0 CGADMP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000423098392 371963818 /nfs/dbraw/zinc/96/38/18/371963818.db2.gz CQVVDAYDDOCLPR-PBWFPOADSA-N 2 1 294.826 3.111 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000156191463 371966340 /nfs/dbraw/zinc/96/63/40/371966340.db2.gz YLODYVFVUFLISR-WQVCFCJDSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000156191463 371966346 /nfs/dbraw/zinc/96/63/46/371966346.db2.gz YLODYVFVUFLISR-WQVCFCJDSA-N 2 1 264.388 3.349 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423142322 371988831 /nfs/dbraw/zinc/98/88/31/371988831.db2.gz VDLLQYXIYTYWHB-BRSBDYLESA-N 2 1 295.515 3.007 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccs1 ZINC000423191206 372017659 /nfs/dbraw/zinc/01/76/59/372017659.db2.gz SLTWXKNAVRFCIV-OAHLLOKOSA-N 2 1 289.448 3.364 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccccc1Br ZINC000423200574 372024829 /nfs/dbraw/zinc/02/48/29/372024829.db2.gz MPTPVLMBCSQFPE-CYBMUJFWSA-N 2 1 285.229 3.099 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200732 372024941 /nfs/dbraw/zinc/02/49/41/372024941.db2.gz MZDHJFCZHDMRKU-INIZCTEOSA-N 2 1 288.435 3.324 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C(C2CC2)C2CC2)C1 ZINC000157918241 372041703 /nfs/dbraw/zinc/04/17/03/372041703.db2.gz XCLNVQAVVDKUIU-CQSZACIVSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423268196 372046311 /nfs/dbraw/zinc/04/63/11/372046311.db2.gz UJYSHRICUFSJDE-ZBFHGGJFSA-N 2 1 264.388 3.166 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000158163829 372056391 /nfs/dbraw/zinc/05/63/91/372056391.db2.gz PFAMVXAPHLCVSZ-WDEREUQCSA-N 2 1 286.341 3.096 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000158163829 372056396 /nfs/dbraw/zinc/05/63/96/372056396.db2.gz PFAMVXAPHLCVSZ-WDEREUQCSA-N 2 1 286.341 3.096 20 0 CGADMP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423174878 372003710 /nfs/dbraw/zinc/00/37/10/372003710.db2.gz CVHORYRUXNIUAD-VVLHAWIVSA-N 2 1 282.387 3.218 20 0 CGADMP Cc1cccc([C@H]([NH2+]CCC[NH3+])c2cccc(F)c2)c1 ZINC000423178357 372006208 /nfs/dbraw/zinc/00/62/08/372006208.db2.gz BVSRWKVCLMTWMA-KRWDZBQOSA-N 2 1 272.367 3.162 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423178999 372008498 /nfs/dbraw/zinc/00/84/98/372008498.db2.gz CQLWAJQRMJKRRC-FIQHERPVSA-N 2 1 284.856 3.235 20 0 CGADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423182604 372010796 /nfs/dbraw/zinc/01/07/96/372010796.db2.gz QNNSOHLOCXHWLQ-HNNXBMFYSA-N 2 1 292.398 3.073 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cs1 ZINC000290538005 372013062 /nfs/dbraw/zinc/01/30/62/372013062.db2.gz RBVUWNCVKJZIDS-ZWNOBZJWSA-N 2 1 272.845 3.174 20 0 CGADMP CC(C)(C)C[C@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1 ZINC000423188156 372014507 /nfs/dbraw/zinc/01/45/07/372014507.db2.gz PSDSOLBGLKNIIU-ZDUSSCGKSA-N 2 1 254.805 3.366 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000158251750 372062421 /nfs/dbraw/zinc/06/24/21/372062421.db2.gz SBEHNPJJNWGGKU-RBUKOAKNSA-N 2 1 288.479 3.494 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423461026 372066269 /nfs/dbraw/zinc/06/62/69/372066269.db2.gz JFWYNQRKRMJOBG-DEYYWGMASA-N 2 1 286.394 3.435 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C1CCCC1 ZINC000423497972 372070216 /nfs/dbraw/zinc/07/02/16/372070216.db2.gz ASBIKUDBAUFTRV-HOTGVXAUSA-N 2 1 278.827 3.434 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cncs1 ZINC000158653283 372077501 /nfs/dbraw/zinc/07/75/01/372077501.db2.gz TYFKIQSUBFVDFY-MJBXVCDLSA-N 2 1 281.469 3.162 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncs1 ZINC000158653283 372077505 /nfs/dbraw/zinc/07/75/05/372077505.db2.gz TYFKIQSUBFVDFY-MJBXVCDLSA-N 2 1 281.469 3.162 20 0 CGADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)s1 ZINC000424299882 372081570 /nfs/dbraw/zinc/08/15/70/372081570.db2.gz WCPSSYGIYNJPQW-LBPRGKRZSA-N 2 1 278.465 3.329 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCCC1CCCC1)CC[NH2+]CC2 ZINC000424283714 372082381 /nfs/dbraw/zinc/08/23/81/372082381.db2.gz BOYZHNWNJMCNFU-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000159046341 372102113 /nfs/dbraw/zinc/10/21/13/372102113.db2.gz OIHWLXHUBXWFDL-CQSZACIVSA-N 2 1 296.480 3.208 20 0 CGADMP CN(CC[C@@H]1CCC[N@H+]1C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426723712 372169564 /nfs/dbraw/zinc/16/95/64/372169564.db2.gz NEGFWMQZQMLEPW-KRWDZBQOSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000159301397 372128523 /nfs/dbraw/zinc/12/85/23/372128523.db2.gz UQZSJSUOQJLTIZ-HUUCEWRRSA-N 2 1 290.451 3.261 20 0 CGADMP Cc1nocc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000293464312 372388716 /nfs/dbraw/zinc/38/87/16/372388716.db2.gz DLLFPCXTAAUTNB-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1nocc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000293464312 372388722 /nfs/dbraw/zinc/38/87/22/372388722.db2.gz DLLFPCXTAAUTNB-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1[NH3+] ZINC000430921342 372404764 /nfs/dbraw/zinc/40/47/64/372404764.db2.gz XTYBHZBHYSTQQD-PBHICJAKSA-N 2 1 297.402 3.043 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1[NH3+] ZINC000430921342 372404768 /nfs/dbraw/zinc/40/47/68/372404768.db2.gz XTYBHZBHYSTQQD-PBHICJAKSA-N 2 1 297.402 3.043 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000293676583 372446520 /nfs/dbraw/zinc/44/65/20/372446520.db2.gz RBSHIHAKPGARMY-WBVHZDCISA-N 2 1 290.451 3.033 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000163210410 372453976 /nfs/dbraw/zinc/45/39/76/372453976.db2.gz YDSJIIMIPHHDOF-KRWDZBQOSA-N 2 1 286.423 3.147 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000163210410 372453984 /nfs/dbraw/zinc/45/39/84/372453984.db2.gz YDSJIIMIPHHDOF-KRWDZBQOSA-N 2 1 286.423 3.147 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCCCC1 ZINC000163309485 372460230 /nfs/dbraw/zinc/46/02/30/372460230.db2.gz NDMAJMPDFSETLI-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000168758239 372619371 /nfs/dbraw/zinc/61/93/71/372619371.db2.gz HXIHQSSXLHBYQN-VBQJREDUSA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000168758239 372619373 /nfs/dbraw/zinc/61/93/73/372619373.db2.gz HXIHQSSXLHBYQN-VBQJREDUSA-N 2 1 276.399 3.493 20 0 CGADMP Cc1ncsc1C[N@@H+](CC1CCCC1)C[C@H]1CC[NH2+]C1 ZINC000435438599 372764594 /nfs/dbraw/zinc/76/45/94/372764594.db2.gz QMMHNDSPFTYQNC-HNNXBMFYSA-N 2 1 293.480 3.053 20 0 CGADMP CC(C)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424772 372763227 /nfs/dbraw/zinc/76/32/27/372763227.db2.gz AOINXOOJXXTGQG-OAHLLOKOSA-N 2 1 278.465 3.348 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000295507199 372807727 /nfs/dbraw/zinc/80/77/27/372807727.db2.gz UPHIOHCWTBHDQK-RVKKMQEKSA-N 2 1 290.451 3.182 20 0 CGADMP CC[C@@H](C[NH2+]CCCCOc1ccccc1)[NH+]1CCCC1 ZINC000438076329 372869696 /nfs/dbraw/zinc/86/96/96/372869696.db2.gz HMLQWXCMLVHGDQ-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cs1 ZINC000295765948 372904560 /nfs/dbraw/zinc/90/45/60/372904560.db2.gz QMYYDGQQNNXGEC-GOOCMWNKSA-N 2 1 264.438 3.161 20 0 CGADMP COC1CC[NH+](C2(C[NH2+]CCC(C)(C)C)CCCC2)CC1 ZINC000438191203 372907893 /nfs/dbraw/zinc/90/78/93/372907893.db2.gz OKOPTNFHEAQNJV-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cnccc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000295810557 372920577 /nfs/dbraw/zinc/92/05/77/372920577.db2.gz UAGKYIRVHRCTSA-KRWDZBQOSA-N 2 1 297.446 3.390 20 0 CGADMP Cc1cnccc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295810557 372920589 /nfs/dbraw/zinc/92/05/89/372920589.db2.gz UAGKYIRVHRCTSA-KRWDZBQOSA-N 2 1 297.446 3.390 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cs1 ZINC000295912138 372955998 /nfs/dbraw/zinc/95/59/98/372955998.db2.gz JHEYTCFRWLDHEQ-GFCCVEGCSA-N 2 1 263.410 3.302 20 0 CGADMP CSc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000172850448 373048545 /nfs/dbraw/zinc/04/85/45/373048545.db2.gz ZTTIIVINEKGSEG-ZFWWWQNUSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000172850448 373048550 /nfs/dbraw/zinc/04/85/50/373048550.db2.gz ZTTIIVINEKGSEG-ZFWWWQNUSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000172850448 373048554 /nfs/dbraw/zinc/04/85/54/373048554.db2.gz ZTTIIVINEKGSEG-ZFWWWQNUSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000172850448 373048558 /nfs/dbraw/zinc/04/85/58/373048558.db2.gz ZTTIIVINEKGSEG-ZFWWWQNUSA-N 2 1 278.465 3.323 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)cn1 ZINC000296355523 373102362 /nfs/dbraw/zinc/10/23/62/373102362.db2.gz JGGGROUVXUIVTA-JKIFEVAISA-N 2 1 298.434 3.490 20 0 CGADMP C[N@@H+](CCCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758495 373073125 /nfs/dbraw/zinc/07/31/25/373073125.db2.gz IVIIDEIKQOVGCC-SJPCQFCGSA-N 2 1 292.854 3.487 20 0 CGADMP C[N@@H+](CCCC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760743 373073546 /nfs/dbraw/zinc/07/35/46/373073546.db2.gz OAAMIKGWFMBGQD-XYPWUTKMSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000173386422 373133712 /nfs/dbraw/zinc/13/37/12/373133712.db2.gz KILXWVKYBUJFGW-KGLIPLIRSA-N 2 1 257.381 3.178 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000443063078 373149388 /nfs/dbraw/zinc/14/93/88/373149388.db2.gz VPZYFSISTWATAT-KRWDZBQOSA-N 2 1 282.431 3.443 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000173913781 373216297 /nfs/dbraw/zinc/21/62/97/373216297.db2.gz QPDAQDAJPOXWTJ-OAHLLOKOSA-N 2 1 278.465 3.052 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000173913781 373216311 /nfs/dbraw/zinc/21/63/11/373216311.db2.gz QPDAQDAJPOXWTJ-OAHLLOKOSA-N 2 1 278.465 3.052 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000173913781 373216320 /nfs/dbraw/zinc/21/63/20/373216320.db2.gz QPDAQDAJPOXWTJ-OAHLLOKOSA-N 2 1 278.465 3.052 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000173913781 373216328 /nfs/dbraw/zinc/21/63/28/373216328.db2.gz QPDAQDAJPOXWTJ-OAHLLOKOSA-N 2 1 278.465 3.052 20 0 CGADMP CC1(C)CC[NH+](CCCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000173819899 373196375 /nfs/dbraw/zinc/19/63/75/373196375.db2.gz ROBMRUMNQRLAEF-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CCC1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000174350659 373296601 /nfs/dbraw/zinc/29/66/01/373296601.db2.gz FWFLEGMQTDNJTI-JEYLPNPQSA-N 2 1 263.429 3.386 20 0 CGADMP COC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446759604 373359851 /nfs/dbraw/zinc/35/98/51/373359851.db2.gz PHGGJIZAHNWQJJ-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300316897 373623920 /nfs/dbraw/zinc/62/39/20/373623920.db2.gz XMPPGKAJJQOHJT-BZUAXINKSA-N 2 1 264.457 3.275 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000301155729 373677082 /nfs/dbraw/zinc/67/70/82/373677082.db2.gz AFQCLWDDVJXKMX-QGZVFWFLSA-N 2 1 281.403 3.058 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000449353077 373683567 /nfs/dbraw/zinc/68/35/67/373683567.db2.gz XUOJPFKBKCUVQT-QGZVFWFLSA-N 2 1 299.393 3.454 20 0 CGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnccn2)c1 ZINC000177977908 373731947 /nfs/dbraw/zinc/73/19/47/373731947.db2.gz NFOQPFIUXMXNHS-OAHLLOKOSA-N 2 1 298.434 3.168 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnccn2)c1 ZINC000177977908 373731952 /nfs/dbraw/zinc/73/19/52/373731952.db2.gz NFOQPFIUXMXNHS-OAHLLOKOSA-N 2 1 298.434 3.168 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCC2)[C@H](C)C1 ZINC000449485936 373775936 /nfs/dbraw/zinc/77/59/36/373775936.db2.gz PHVRGNCGNQIEDB-UKRRQHHQSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000178695434 373803793 /nfs/dbraw/zinc/80/37/93/373803793.db2.gz NRDHQAVXBVCLFX-SJCJKPOMSA-N 2 1 287.382 3.244 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178956407 373820368 /nfs/dbraw/zinc/82/03/68/373820368.db2.gz PLXYYMAPVFSHFG-UHFFFAOYSA-N 2 1 286.419 3.427 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178974522 373823223 /nfs/dbraw/zinc/82/32/23/373823223.db2.gz NPSWTMLKQMKRGN-RDJZCZTQSA-N 2 1 272.436 3.172 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCC(C)C)CC1 ZINC000179676839 373903122 /nfs/dbraw/zinc/90/31/22/373903122.db2.gz OAAZSGPHEQTAGS-UHFFFAOYSA-N 2 1 284.488 3.103 20 0 CGADMP Cc1cc(NCCC[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000302294783 373850254 /nfs/dbraw/zinc/85/02/54/373850254.db2.gz LYXVEAXVUVDWIK-UHFFFAOYSA-N 2 1 281.403 3.250 20 0 CGADMP Cc1ccsc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179836103 373925615 /nfs/dbraw/zinc/92/56/15/373925615.db2.gz LGNGFSRQBRLTTE-UHFFFAOYSA-N 2 1 252.427 3.019 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)C2 ZINC000180507473 374016023 /nfs/dbraw/zinc/01/60/23/374016023.db2.gz DWUMUPNAMPVZPM-RLFYNMQTSA-N 2 1 272.436 3.160 20 0 CGADMP COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1C ZINC000309754668 374194806 /nfs/dbraw/zinc/19/48/06/374194806.db2.gz RRSAASHBBSPJJO-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043419 374209651 /nfs/dbraw/zinc/20/96/51/374209651.db2.gz OIRRCODOLCBIPR-FUHWJXTLSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043419 374209653 /nfs/dbraw/zinc/20/96/53/374209653.db2.gz OIRRCODOLCBIPR-FUHWJXTLSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043419 374209656 /nfs/dbraw/zinc/20/96/56/374209656.db2.gz OIRRCODOLCBIPR-FUHWJXTLSA-N 2 1 274.452 3.139 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452052113 374217222 /nfs/dbraw/zinc/21/72/22/374217222.db2.gz LYCAOMWHFFVIFQ-VSZNYVQBSA-N 2 1 287.451 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452052113 374217226 /nfs/dbraw/zinc/21/72/26/374217226.db2.gz LYCAOMWHFFVIFQ-VSZNYVQBSA-N 2 1 287.451 3.340 20 0 CGADMP COc1ccccc1CCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452099295 374232903 /nfs/dbraw/zinc/23/29/03/374232903.db2.gz WKHQMXJQFCXNIH-UHFFFAOYSA-N 2 1 290.451 3.092 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)C[NH+](C)C ZINC000310916528 374229965 /nfs/dbraw/zinc/22/99/65/374229965.db2.gz ZFXBLSOWQRVTLF-GHMZBOCLSA-N 2 1 272.795 3.327 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182593100 374295834 /nfs/dbraw/zinc/29/58/34/374295834.db2.gz UECWPOGFEDCXKE-YQQAZPJKSA-N 2 1 262.441 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000312602929 374284362 /nfs/dbraw/zinc/28/43/62/374284362.db2.gz NNDIEEJZIRYBDX-SCZZXKLOSA-N 2 1 293.263 3.485 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCCC3)CC[N@@H+]1C ZINC000328222641 374363876 /nfs/dbraw/zinc/36/38/76/374363876.db2.gz APMTVNVKWHTXHD-KFWWJZLASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCCC3)CC[N@H+]1C ZINC000328222641 374363880 /nfs/dbraw/zinc/36/38/80/374363880.db2.gz APMTVNVKWHTXHD-KFWWJZLASA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)CC2)c(C)c1 ZINC000453248652 374371717 /nfs/dbraw/zinc/37/17/17/374371717.db2.gz LIKJGQGKQHLCGR-AEFFLSMTSA-N 2 1 286.463 3.265 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000453286661 374392292 /nfs/dbraw/zinc/39/22/92/374392292.db2.gz KAXRVENLUQXKJB-MPGHIAIKSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000453286661 374392301 /nfs/dbraw/zinc/39/23/01/374392301.db2.gz KAXRVENLUQXKJB-MPGHIAIKSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1C ZINC000183740415 374449199 /nfs/dbraw/zinc/44/91/99/374449199.db2.gz MIJRRISFEGGZGI-CVEARBPZSA-N 2 1 260.425 3.438 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000453395279 374472860 /nfs/dbraw/zinc/47/28/60/374472860.db2.gz HNPXCOXVSQGSJE-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400170 541959182 /nfs/dbraw/zinc/95/91/82/541959182.db2.gz AVOLIBDHUJFYPJ-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000090408299 541960398 /nfs/dbraw/zinc/96/03/98/541960398.db2.gz VQZDKAWCFCFQFL-OCCSQVGLSA-N 2 1 281.469 3.223 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000090408299 541960401 /nfs/dbraw/zinc/96/04/01/541960401.db2.gz VQZDKAWCFCFQFL-OCCSQVGLSA-N 2 1 281.469 3.223 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)CCC2 ZINC000331761485 374546248 /nfs/dbraw/zinc/54/62/48/374546248.db2.gz BWEFFAILLMNNPB-HUUCEWRRSA-N 2 1 293.480 3.326 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(C)s1 ZINC000334432192 374745718 /nfs/dbraw/zinc/74/57/18/374745718.db2.gz WRXPIBRYYYHLOW-XHDPSFHLSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)s1 ZINC000334432192 374745723 /nfs/dbraw/zinc/74/57/23/374745723.db2.gz WRXPIBRYYYHLOW-XHDPSFHLSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(C)s1 ZINC000334432192 374745732 /nfs/dbraw/zinc/74/57/32/374745732.db2.gz WRXPIBRYYYHLOW-XHDPSFHLSA-N 2 1 266.454 3.137 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459741222 374817263 /nfs/dbraw/zinc/81/72/63/374817263.db2.gz VFCCKMALFUCMIH-MEMKZHQFSA-N 2 1 288.435 3.030 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000459780921 374821451 /nfs/dbraw/zinc/82/14/51/374821451.db2.gz LXKVZMHNYQXYBK-MAUKXSAKSA-N 2 1 287.451 3.255 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528245 541987584 /nfs/dbraw/zinc/98/75/84/541987584.db2.gz CAAYQZMYAJOLRN-MRXNPFEDSA-N 2 1 258.409 3.267 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334871118 375040917 /nfs/dbraw/zinc/04/09/17/375040917.db2.gz YBGMJRZLMIHYIF-WMZOPIPTSA-N 2 1 295.430 3.199 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938612 375038634 /nfs/dbraw/zinc/03/86/34/375038634.db2.gz KQWMCWPRHCMPQE-AEFFLSMTSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938612 375038640 /nfs/dbraw/zinc/03/86/40/375038640.db2.gz KQWMCWPRHCMPQE-AEFFLSMTSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938612 375038647 /nfs/dbraw/zinc/03/86/47/375038647.db2.gz KQWMCWPRHCMPQE-AEFFLSMTSA-N 2 1 290.426 3.489 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000187818804 375102597 /nfs/dbraw/zinc/10/25/97/375102597.db2.gz DTJPJDJKIJGNAS-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000474404618 375106515 /nfs/dbraw/zinc/10/65/15/375106515.db2.gz XRHABJYJOXGCPJ-YJBOKZPZSA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000474404618 375106522 /nfs/dbraw/zinc/10/65/22/375106522.db2.gz XRHABJYJOXGCPJ-YJBOKZPZSA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000474404618 375106527 /nfs/dbraw/zinc/10/65/27/375106527.db2.gz XRHABJYJOXGCPJ-YJBOKZPZSA-N 2 1 290.426 3.304 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000474404618 375106531 /nfs/dbraw/zinc/10/65/31/375106531.db2.gz XRHABJYJOXGCPJ-YJBOKZPZSA-N 2 1 290.426 3.304 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C2CC2)cc1 ZINC000481302415 375164007 /nfs/dbraw/zinc/16/40/07/375164007.db2.gz CYGURETYTQBPQX-RBUKOAKNSA-N 2 1 286.463 3.246 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189113409 375327027 /nfs/dbraw/zinc/32/70/27/375327027.db2.gz WZGPKHOLAGDISO-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C[NH2+]CC1(CCOC)CCCCC1)[NH+]1CCCC1 ZINC000189036189 375314189 /nfs/dbraw/zinc/31/41/89/375314189.db2.gz TYZNEBZRZDAAHE-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP CSCc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000188719770 375259021 /nfs/dbraw/zinc/25/90/21/375259021.db2.gz FAAJSXZBHUKKFL-KEYYUXOJSA-N 2 1 292.492 3.368 20 0 CGADMP C[N@H+]1CCCC12CCN(c1cc[nH+]c3ccccc31)CC2 ZINC000335745904 375395898 /nfs/dbraw/zinc/39/58/98/375395898.db2.gz FJRTVTZLISSIEU-UHFFFAOYSA-N 2 1 281.403 3.299 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000189277805 375354463 /nfs/dbraw/zinc/35/44/63/375354463.db2.gz GQZPXJYGVVSIAZ-KRWDZBQOSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc2cccnc12 ZINC000335699127 375356302 /nfs/dbraw/zinc/35/63/02/375356302.db2.gz COGWCEAGGHRKTO-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc2cccnc12 ZINC000335699127 375356306 /nfs/dbraw/zinc/35/63/06/375356306.db2.gz COGWCEAGGHRKTO-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP C[N@H+](Cc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335763129 375409937 /nfs/dbraw/zinc/40/99/37/375409937.db2.gz MYBQSEPWAFONLO-PBWFPOADSA-N 2 1 280.362 3.022 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335763129 375409944 /nfs/dbraw/zinc/40/99/44/375409944.db2.gz MYBQSEPWAFONLO-PBWFPOADSA-N 2 1 280.362 3.022 20 0 CGADMP C[NH+](Cc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335763129 375409955 /nfs/dbraw/zinc/40/99/55/375409955.db2.gz MYBQSEPWAFONLO-PBWFPOADSA-N 2 1 280.362 3.022 20 0 CGADMP C[NH+](Cc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335763129 375409964 /nfs/dbraw/zinc/40/99/64/375409964.db2.gz MYBQSEPWAFONLO-PBWFPOADSA-N 2 1 280.362 3.022 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000335916486 375539022 /nfs/dbraw/zinc/53/90/22/375539022.db2.gz JBGGZDWHEGMLGL-INIZCTEOSA-N 2 1 292.467 3.038 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000335916486 375539030 /nfs/dbraw/zinc/53/90/30/375539030.db2.gz JBGGZDWHEGMLGL-INIZCTEOSA-N 2 1 292.467 3.038 20 0 CGADMP FC(F)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000335851951 375483552 /nfs/dbraw/zinc/48/35/52/375483552.db2.gz COOSGFCBFPQEDY-CLRIEMFWSA-N 2 1 272.383 3.027 20 0 CGADMP FC(F)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000335851951 375483558 /nfs/dbraw/zinc/48/35/58/375483558.db2.gz COOSGFCBFPQEDY-CLRIEMFWSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)cc1 ZINC000191060715 375569424 /nfs/dbraw/zinc/56/94/24/375569424.db2.gz AOBYTWYBLPGSLH-IYOUNJFTSA-N 2 1 299.418 3.399 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000119251553 542004997 /nfs/dbraw/zinc/00/49/97/542004997.db2.gz FKLDVDBZEOQHSL-QGZVFWFLSA-N 2 1 258.409 3.212 20 0 CGADMP Clc1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000336004162 375609969 /nfs/dbraw/zinc/60/99/69/375609969.db2.gz GPLYEICYFVUUSS-SECBINFHSA-N 2 1 296.201 3.364 20 0 CGADMP C1=CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000122022634 542021313 /nfs/dbraw/zinc/02/13/13/542021313.db2.gz ORCIKMBHQJDOTF-UHFFFAOYSA-N 2 1 270.420 3.002 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336119365 375700109 /nfs/dbraw/zinc/70/01/09/375700109.db2.gz IHJMJGMQXICKSE-XJKSGUPXSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336119365 375700114 /nfs/dbraw/zinc/70/01/14/375700114.db2.gz IHJMJGMQXICKSE-XJKSGUPXSA-N 2 1 264.388 3.303 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000124015143 542030540 /nfs/dbraw/zinc/03/05/40/542030540.db2.gz RAZINHMLOOVMJD-XJKSGUPXSA-N 2 1 258.409 3.095 20 0 CGADMP Cc1ccccc1C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000123916365 542030636 /nfs/dbraw/zinc/03/06/36/542030636.db2.gz PTXIPOLBXCTWOH-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192675593 375777255 /nfs/dbraw/zinc/77/72/55/375777255.db2.gz YKCJQIPPMSNWLS-YJBOKZPZSA-N 2 1 290.451 3.041 20 0 CGADMP c1ccc2c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccnc2c1 ZINC000515002732 375809000 /nfs/dbraw/zinc/80/90/00/375809000.db2.gz UETCARUTGPGWHY-KXBFYZLASA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)CC1CCCCCC1 ZINC000515557166 375815094 /nfs/dbraw/zinc/81/50/94/375815094.db2.gz SHBKBZTZPIYFML-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CCCCCC1 ZINC000515557166 375815100 /nfs/dbraw/zinc/81/51/00/375815100.db2.gz SHBKBZTZPIYFML-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CCCCCC1 ZINC000515557166 375815104 /nfs/dbraw/zinc/81/51/04/375815104.db2.gz SHBKBZTZPIYFML-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CCCCCC1 ZINC000515557166 375815109 /nfs/dbraw/zinc/81/51/09/375815109.db2.gz SHBKBZTZPIYFML-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CCCCCC1 ZINC000515557166 375815112 /nfs/dbraw/zinc/81/51/12/375815112.db2.gz SHBKBZTZPIYFML-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)s1 ZINC000516348353 375818982 /nfs/dbraw/zinc/81/89/82/375818982.db2.gz TXIORSDWZFHONF-HOCLYGCPSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)s1 ZINC000516348353 375818987 /nfs/dbraw/zinc/81/89/87/375818987.db2.gz TXIORSDWZFHONF-HOCLYGCPSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)s1 ZINC000516348353 375818991 /nfs/dbraw/zinc/81/89/91/375818991.db2.gz TXIORSDWZFHONF-HOCLYGCPSA-N 2 1 278.465 3.281 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000517730902 375826744 /nfs/dbraw/zinc/82/67/44/375826744.db2.gz IPMRDLXLFPQQNV-MRXNPFEDSA-N 2 1 276.424 3.106 20 0 CGADMP C[N@@H+](CCSCC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000193617977 375897488 /nfs/dbraw/zinc/89/74/88/375897488.db2.gz GNOPRIKGBVOECP-QGZVFWFLSA-N 2 1 292.492 3.336 20 0 CGADMP C[NH+](CCSCC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000193617977 375897498 /nfs/dbraw/zinc/89/74/98/375897498.db2.gz GNOPRIKGBVOECP-QGZVFWFLSA-N 2 1 292.492 3.336 20 0 CGADMP C[NH+](CCSCC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000193617977 375897506 /nfs/dbraw/zinc/89/75/06/375897506.db2.gz GNOPRIKGBVOECP-QGZVFWFLSA-N 2 1 292.492 3.336 20 0 CGADMP CCCNc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000193358832 375867282 /nfs/dbraw/zinc/86/72/82/375867282.db2.gz QISICTNTXINVKP-PBHICJAKSA-N 2 1 275.440 3.081 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336803324 375951997 /nfs/dbraw/zinc/95/19/97/375951997.db2.gz XZAJKQJBDCJYJV-MRXNPFEDSA-N 2 1 255.365 3.029 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000336803324 375952004 /nfs/dbraw/zinc/95/20/04/375952004.db2.gz XZAJKQJBDCJYJV-MRXNPFEDSA-N 2 1 255.365 3.029 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000193732620 375916893 /nfs/dbraw/zinc/91/68/93/375916893.db2.gz OOSJNSYJBZKBRK-UHFFFAOYSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000336833182 375994445 /nfs/dbraw/zinc/99/44/45/375994445.db2.gz BZZKBRQESTYSJZ-QGZVFWFLSA-N 2 1 284.407 3.204 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000336833182 375994447 /nfs/dbraw/zinc/99/44/47/375994447.db2.gz BZZKBRQESTYSJZ-QGZVFWFLSA-N 2 1 284.407 3.204 20 0 CGADMP C[N@H+](Cc1cc(Cl)cs1)CC1CC[NH+](C)CC1 ZINC000194379662 375995993 /nfs/dbraw/zinc/99/59/93/375995993.db2.gz MFXHMLXLMCQZSY-UHFFFAOYSA-N 2 1 272.845 3.175 20 0 CGADMP C[N@@H+](C[C@@H]1CCC2(CCCCC2)O1)C[C@H]1CCC[NH+](C)C1 ZINC000336845088 376006874 /nfs/dbraw/zinc/00/68/74/376006874.db2.gz PWMJSOXHBBUTAI-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C[C@@H]1CCC2(CCCCC2)O1)C[C@H]1CCC[N@H+](C)C1 ZINC000336845088 376006882 /nfs/dbraw/zinc/00/68/82/376006882.db2.gz PWMJSOXHBBUTAI-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C[C@@H]1CCC2(CCCCC2)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336845088 376006888 /nfs/dbraw/zinc/00/68/88/376006888.db2.gz PWMJSOXHBBUTAI-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cscn1 ZINC000535064370 376020186 /nfs/dbraw/zinc/02/01/86/376020186.db2.gz RBHIGIKIIBLDOR-KBPBESRZSA-N 2 1 281.469 3.448 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212809091 376138564 /nfs/dbraw/zinc/13/85/64/376138564.db2.gz SROIZBPYPJKXHW-QWRGUYRKSA-N 2 1 272.795 3.470 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337270795 376182344 /nfs/dbraw/zinc/18/23/44/376182344.db2.gz NFZFKPAXXRBXAX-CQSZACIVSA-N 2 1 264.388 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337270795 376182348 /nfs/dbraw/zinc/18/23/48/376182348.db2.gz NFZFKPAXXRBXAX-CQSZACIVSA-N 2 1 264.388 3.304 20 0 CGADMP C[C@@H]1C[C@@]1(NCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000337270740 376182834 /nfs/dbraw/zinc/18/28/34/376182834.db2.gz ZYCXMWVHAICWSB-YGRLFVJLSA-N 2 1 261.756 3.088 20 0 CGADMP CC(C)[N@H+](C)CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000538097159 376221014 /nfs/dbraw/zinc/22/10/14/376221014.db2.gz VVPLCYNEVKGOMS-UHFFFAOYSA-N 2 1 281.831 3.292 20 0 CGADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000538097159 376221018 /nfs/dbraw/zinc/22/10/18/376221018.db2.gz VVPLCYNEVKGOMS-UHFFFAOYSA-N 2 1 281.831 3.292 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1cccc(F)c1 ZINC000221924088 376222459 /nfs/dbraw/zinc/22/24/59/376222459.db2.gz HVEKOLGFWTZEJA-ZDUSSCGKSA-N 2 1 252.377 3.207 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000221924088 376222466 /nfs/dbraw/zinc/22/24/66/376222466.db2.gz HVEKOLGFWTZEJA-ZDUSSCGKSA-N 2 1 252.377 3.207 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000221924088 376222472 /nfs/dbraw/zinc/22/24/72/376222472.db2.gz HVEKOLGFWTZEJA-ZDUSSCGKSA-N 2 1 252.377 3.207 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCc2sccc21 ZINC000221921900 376222883 /nfs/dbraw/zinc/22/28/83/376222883.db2.gz VBIUDDTVGKLVCX-CQSZACIVSA-N 2 1 266.454 3.445 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000221921900 376222889 /nfs/dbraw/zinc/22/28/89/376222889.db2.gz VBIUDDTVGKLVCX-CQSZACIVSA-N 2 1 266.454 3.445 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000221921900 376222897 /nfs/dbraw/zinc/22/28/97/376222897.db2.gz VBIUDDTVGKLVCX-CQSZACIVSA-N 2 1 266.454 3.445 20 0 CGADMP COc1ccc([C@@H](C)NCCC[N@@H+](C)C(C)C)cc1F ZINC000221913836 376223944 /nfs/dbraw/zinc/22/39/44/376223944.db2.gz VYOQWUPHEVRYEP-CYBMUJFWSA-N 2 1 282.403 3.215 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1F ZINC000221913836 376223948 /nfs/dbraw/zinc/22/39/48/376223948.db2.gz VYOQWUPHEVRYEP-CYBMUJFWSA-N 2 1 282.403 3.215 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1F ZINC000221913836 376223952 /nfs/dbraw/zinc/22/39/52/376223952.db2.gz VYOQWUPHEVRYEP-CYBMUJFWSA-N 2 1 282.403 3.215 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221925336 376226170 /nfs/dbraw/zinc/22/61/70/376226170.db2.gz SNDPECRLKJZKAG-HNNXBMFYSA-N 2 1 278.440 3.466 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221925336 376226176 /nfs/dbraw/zinc/22/61/76/376226176.db2.gz SNDPECRLKJZKAG-HNNXBMFYSA-N 2 1 278.440 3.466 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000222924594 376242589 /nfs/dbraw/zinc/24/25/89/376242589.db2.gz YLODYVFVUFLISR-MAZHCROVSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000222924594 376242596 /nfs/dbraw/zinc/24/25/96/376242596.db2.gz YLODYVFVUFLISR-MAZHCROVSA-N 2 1 264.388 3.349 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000223247761 376249959 /nfs/dbraw/zinc/24/99/59/376249959.db2.gz RKIWRMUOUBTNGD-UHFFFAOYSA-N 2 1 272.795 3.299 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000223247761 376249964 /nfs/dbraw/zinc/24/99/64/376249964.db2.gz RKIWRMUOUBTNGD-UHFFFAOYSA-N 2 1 272.795 3.299 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCc2ccccc2C1 ZINC000338276672 376308569 /nfs/dbraw/zinc/30/85/69/376308569.db2.gz CRJBKYJYZZWBOR-UHFFFAOYSA-N 2 1 260.425 3.167 20 0 CGADMP CC(C)SCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338291865 376318866 /nfs/dbraw/zinc/31/88/66/376318866.db2.gz NXIJTZQHHHJYED-LSDHHAIUSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326444 376352177 /nfs/dbraw/zinc/35/21/77/376352177.db2.gz CDFZBTFQTSFGMB-NEPJUHHUSA-N 2 1 268.351 3.087 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000338295131 376320677 /nfs/dbraw/zinc/32/06/77/376320677.db2.gz DFUGPXYIUVYPJX-CQSZACIVSA-N 2 1 263.429 3.027 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCCC(F)(F)C1 ZINC000338302198 376323975 /nfs/dbraw/zinc/32/39/75/376323975.db2.gz BPLKMDFCLUYATA-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CCCC(F)(F)C1 ZINC000338302198 376323980 /nfs/dbraw/zinc/32/39/80/376323980.db2.gz BPLKMDFCLUYATA-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CCCC(F)(F)C1 ZINC000338302198 376323985 /nfs/dbraw/zinc/32/39/85/376323985.db2.gz BPLKMDFCLUYATA-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC1 ZINC000225282938 376300213 /nfs/dbraw/zinc/30/02/13/376300213.db2.gz MVSAKEFXABHAJK-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c1Cl ZINC000540932871 376406615 /nfs/dbraw/zinc/40/66/15/376406615.db2.gz XLPUWQTWXNKUPC-HNNXBMFYSA-N 2 1 287.794 3.064 20 0 CGADMP Cc1[nH+]ccc(N[C@H]2C[N@H+](C)Cc3ccccc32)c1Cl ZINC000540932871 376406629 /nfs/dbraw/zinc/40/66/29/376406629.db2.gz XLPUWQTWXNKUPC-HNNXBMFYSA-N 2 1 287.794 3.064 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC(CC)(CC)CC)C1 ZINC000541089251 376420581 /nfs/dbraw/zinc/42/05/81/376420581.db2.gz GZMUYIXYNIHQGY-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC(CC)(CC)CC)C1 ZINC000541089251 376420589 /nfs/dbraw/zinc/42/05/89/376420589.db2.gz GZMUYIXYNIHQGY-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC(CC)(CC)CC)C1 ZINC000541089251 376420594 /nfs/dbraw/zinc/42/05/94/376420594.db2.gz GZMUYIXYNIHQGY-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccsc2)[C@H](C)C1 ZINC000541174334 376424418 /nfs/dbraw/zinc/42/44/18/376424418.db2.gz ACIFAZAWLGIJLV-GDBMZVCRSA-N 2 1 280.481 3.343 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccsc2)[C@H](C)C1 ZINC000541174334 376424429 /nfs/dbraw/zinc/42/44/29/376424429.db2.gz ACIFAZAWLGIJLV-GDBMZVCRSA-N 2 1 280.481 3.343 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccsc2)[C@H](C)C1 ZINC000541174334 376424437 /nfs/dbraw/zinc/42/44/37/376424437.db2.gz ACIFAZAWLGIJLV-GDBMZVCRSA-N 2 1 280.481 3.343 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000540166495 376362335 /nfs/dbraw/zinc/36/23/35/376362335.db2.gz ZSZLMZSUBWKPPW-BBRMVZONSA-N 2 1 288.460 3.374 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccsc2)[C@H](C)C1 ZINC000541174337 376425170 /nfs/dbraw/zinc/42/51/70/376425170.db2.gz ACIFAZAWLGIJLV-ZBFHGGJFSA-N 2 1 280.481 3.343 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccsc2)[C@H](C)C1 ZINC000541174337 376425174 /nfs/dbraw/zinc/42/51/74/376425174.db2.gz ACIFAZAWLGIJLV-ZBFHGGJFSA-N 2 1 280.481 3.343 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccsc2)[C@H](C)C1 ZINC000541174337 376425176 /nfs/dbraw/zinc/42/51/76/376425176.db2.gz ACIFAZAWLGIJLV-ZBFHGGJFSA-N 2 1 280.481 3.343 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(C)s1 ZINC000227025764 376379600 /nfs/dbraw/zinc/37/96/00/376379600.db2.gz HCAIKWUZDBEDNT-FZMZJTMJSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(C)s1 ZINC000227025764 376379607 /nfs/dbraw/zinc/37/96/07/376379607.db2.gz HCAIKWUZDBEDNT-FZMZJTMJSA-N 2 1 252.427 3.067 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CC(c2ccccc2)C1 ZINC000338462119 376381818 /nfs/dbraw/zinc/38/18/18/376381818.db2.gz RTPMWGCQPQAQHE-UHFFFAOYSA-N 2 1 295.430 3.431 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@@H]21 ZINC000230049552 376482465 /nfs/dbraw/zinc/48/24/65/376482465.db2.gz ONOULKJNOXWILT-ZIBATOQPSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@@H]21 ZINC000230049552 376482476 /nfs/dbraw/zinc/48/24/76/376482476.db2.gz ONOULKJNOXWILT-ZIBATOQPSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC000229030996 376457232 /nfs/dbraw/zinc/45/72/32/376457232.db2.gz ZYMLZPMCRMKORN-WDBKCZKBSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21 ZINC000229030996 376457235 /nfs/dbraw/zinc/45/72/35/376457235.db2.gz ZYMLZPMCRMKORN-WDBKCZKBSA-N 2 1 282.790 3.038 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccsc2)C1 ZINC000542102949 376509530 /nfs/dbraw/zinc/50/95/30/376509530.db2.gz VVDHAWSHHFUZSB-MRXNPFEDSA-N 2 1 280.481 3.344 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000542102949 376509539 /nfs/dbraw/zinc/50/95/39/376509539.db2.gz VVDHAWSHHFUZSB-MRXNPFEDSA-N 2 1 280.481 3.344 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000542102949 376509548 /nfs/dbraw/zinc/50/95/48/376509548.db2.gz VVDHAWSHHFUZSB-MRXNPFEDSA-N 2 1 280.481 3.344 20 0 CGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000230767115 376541448 /nfs/dbraw/zinc/54/14/48/376541448.db2.gz OFWSSEJIGNUJIZ-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C)cc(OCCC[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000234290076 376615547 /nfs/dbraw/zinc/61/55/47/376615547.db2.gz FOPSOSJIQDVXMJ-KRWDZBQOSA-N 2 1 290.451 3.146 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(COC)cc2)C[C@@H]1C ZINC000339009730 376629480 /nfs/dbraw/zinc/62/94/80/376629480.db2.gz HHYCYQJUTUKKKM-MAUKXSAKSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(COC)cc2)C[C@@H]1C ZINC000339009730 376629487 /nfs/dbraw/zinc/62/94/87/376629487.db2.gz HHYCYQJUTUKKKM-MAUKXSAKSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(COC)cc2)C[C@@H]1C ZINC000339009730 376629499 /nfs/dbraw/zinc/62/94/99/376629499.db2.gz HHYCYQJUTUKKKM-MAUKXSAKSA-N 2 1 290.451 3.138 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1 ZINC000339068107 376658012 /nfs/dbraw/zinc/65/80/12/376658012.db2.gz NZKYKNRFMICNSP-CVEARBPZSA-N 2 1 288.435 3.060 20 0 CGADMP c1ccc(SCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069865 376660627 /nfs/dbraw/zinc/66/06/27/376660627.db2.gz YAXQOGONAVRDMZ-JKSUJKDBSA-N 2 1 290.476 3.385 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339721449 376824433 /nfs/dbraw/zinc/82/44/33/376824433.db2.gz XKAFCUNLUJRGDD-CABCVRRESA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339721449 376824441 /nfs/dbraw/zinc/82/44/41/376824441.db2.gz XKAFCUNLUJRGDD-CABCVRRESA-N 2 1 261.413 3.092 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]CC2CCCCCC2)C[C@H](C)O1 ZINC000557732083 376954817 /nfs/dbraw/zinc/95/48/17/376954817.db2.gz LVAVYWUOTZFDAQ-CALCHBBNSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1CCOC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000340250842 376964795 /nfs/dbraw/zinc/96/47/95/376964795.db2.gz GIQDVYATDYRXLE-DOTOQJQBSA-N 2 1 290.451 3.054 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000340374004 377026167 /nfs/dbraw/zinc/02/61/67/377026167.db2.gz WRDHIWMSNYYJAS-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000340374004 377026172 /nfs/dbraw/zinc/02/61/72/377026172.db2.gz WRDHIWMSNYYJAS-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000340374004 377026178 /nfs/dbraw/zinc/02/61/78/377026178.db2.gz WRDHIWMSNYYJAS-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000246890524 377111953 /nfs/dbraw/zinc/11/19/53/377111953.db2.gz FKEXKGGTORUZRD-HZPDHXFCSA-N 2 1 252.446 3.443 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C12CCCC2 ZINC000246898793 377114450 /nfs/dbraw/zinc/11/44/50/377114450.db2.gz FDQWVNCEDIMYMB-JZAWBGDQSA-N 2 1 294.483 3.043 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246564832 377054165 /nfs/dbraw/zinc/05/41/65/377054165.db2.gz XLFDGKISEKVDKI-FUHWJXTLSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246731964 377078648 /nfs/dbraw/zinc/07/86/48/377078648.db2.gz MEFGOJRIDPMJFZ-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246731964 377078656 /nfs/dbraw/zinc/07/86/56/377078656.db2.gz MEFGOJRIDPMJFZ-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246731964 377078663 /nfs/dbraw/zinc/07/86/63/377078663.db2.gz MEFGOJRIDPMJFZ-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246731964 377078666 /nfs/dbraw/zinc/07/86/66/377078666.db2.gz MEFGOJRIDPMJFZ-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP COC(C)(C)[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340536835 377131569 /nfs/dbraw/zinc/13/15/69/377131569.db2.gz SSVAKVNNWWNNIJ-JKSUJKDBSA-N 2 1 292.467 3.300 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccnc2)C(C)C)[C@@H](C)C1 ZINC000247007031 377136786 /nfs/dbraw/zinc/13/67/86/377136786.db2.gz KCQKCRFJBUQVEB-JQHSSLGASA-N 2 1 289.467 3.141 20 0 CGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC(C)C ZINC000247020890 377142029 /nfs/dbraw/zinc/14/20/29/377142029.db2.gz LSSWJVDOTSGKOR-ZJPYXAASSA-N 2 1 297.531 3.061 20 0 CGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)CC(C)C ZINC000247052442 377149654 /nfs/dbraw/zinc/14/96/54/377149654.db2.gz NHQTZMDNIAYTDC-KSZLIROESA-N 3 1 297.531 3.063 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000247058956 377150523 /nfs/dbraw/zinc/15/05/23/377150523.db2.gz PLHZISKFBYNLTK-JFIYKMOQSA-N 2 1 286.463 3.345 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(F)c1 ZINC000247063261 377152793 /nfs/dbraw/zinc/15/27/93/377152793.db2.gz MQJVPCPAUWQIPM-NUEKZKHPSA-N 2 1 294.414 3.055 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000560527866 377163297 /nfs/dbraw/zinc/16/32/97/377163297.db2.gz DHXROOPTSWTWNG-ZDRBWGSPSA-N 2 1 276.468 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@H]2CCC[C@H]21 ZINC000560525863 377164141 /nfs/dbraw/zinc/16/41/41/377164141.db2.gz BNHNYYZANUFLOZ-UHOFOFEASA-N 2 1 296.817 3.442 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247132109 377164418 /nfs/dbraw/zinc/16/44/18/377164418.db2.gz ASTRFRKPQDDTJL-VYDXJSESSA-N 2 1 260.425 3.171 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000561403746 377224216 /nfs/dbraw/zinc/22/42/16/377224216.db2.gz VOPIWVDEWNTDSW-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000561403746 377224223 /nfs/dbraw/zinc/22/42/23/377224223.db2.gz VOPIWVDEWNTDSW-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247982151 377253277 /nfs/dbraw/zinc/25/32/77/377253277.db2.gz ILFZCCIHJRSJBV-NZSAHSFTSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247379353 377199311 /nfs/dbraw/zinc/19/93/11/377199311.db2.gz UAYNGKXGNXWITN-INMHGKMJSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247379353 377199317 /nfs/dbraw/zinc/19/93/17/377199317.db2.gz UAYNGKXGNXWITN-INMHGKMJSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H](CC[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000340672127 377204203 /nfs/dbraw/zinc/20/42/03/377204203.db2.gz HNTGCQOTUBYNKF-MRXNPFEDSA-N 2 1 272.436 3.256 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000248429246 377316411 /nfs/dbraw/zinc/31/64/11/377316411.db2.gz SXOZWWHRHMGNCC-GVDBMIGSSA-N 2 1 264.457 3.300 20 0 CGADMP COc1cc(Cl)ccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000248120236 377270467 /nfs/dbraw/zinc/27/04/67/377270467.db2.gz NGJVJOYACUGXJP-SLEUVZQESA-N 2 1 296.842 3.167 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000248120236 377270471 /nfs/dbraw/zinc/27/04/71/377270471.db2.gz NGJVJOYACUGXJP-SLEUVZQESA-N 2 1 296.842 3.167 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000248120236 377270477 /nfs/dbraw/zinc/27/04/77/377270477.db2.gz NGJVJOYACUGXJP-SLEUVZQESA-N 2 1 296.842 3.167 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000248143488 377272541 /nfs/dbraw/zinc/27/25/41/377272541.db2.gz PWTMKRFQBFFEQS-OWYHZJEWSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC[N@H+]1C ZINC000248143488 377272546 /nfs/dbraw/zinc/27/25/46/377272546.db2.gz PWTMKRFQBFFEQS-OWYHZJEWSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248153642 377272642 /nfs/dbraw/zinc/27/26/42/377272642.db2.gz RCPSCRBXYDBLCA-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248153642 377272648 /nfs/dbraw/zinc/27/26/48/377272648.db2.gz RCPSCRBXYDBLCA-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000248198075 377280493 /nfs/dbraw/zinc/28/04/93/377280493.db2.gz XSVSPAAMZUIVJM-KYHPRHEASA-N 2 1 274.452 3.417 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248384510 377300281 /nfs/dbraw/zinc/30/02/81/377300281.db2.gz FCFNRCKBOJGWKX-HOCLYGCPSA-N 2 1 278.415 3.030 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cnn1C(C)C ZINC000248680518 377381653 /nfs/dbraw/zinc/38/16/53/377381653.db2.gz CTFIAECJBXUNAB-CWRNSKLLSA-N 2 1 292.471 3.296 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580166 377355540 /nfs/dbraw/zinc/35/55/40/377355540.db2.gz OIRRCODOLCBIPR-AEFFLSMTSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580166 377355545 /nfs/dbraw/zinc/35/55/45/377355545.db2.gz OIRRCODOLCBIPR-AEFFLSMTSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580166 377355552 /nfs/dbraw/zinc/35/55/52/377355552.db2.gz OIRRCODOLCBIPR-AEFFLSMTSA-N 2 1 274.452 3.139 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000248585220 377356796 /nfs/dbraw/zinc/35/67/96/377356796.db2.gz PUHJIUDCXUXTNG-AEFFLSMTSA-N 2 1 274.452 3.187 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000563136151 377408035 /nfs/dbraw/zinc/40/80/35/377408035.db2.gz BMCHLLJPYUGOSV-FUHWJXTLSA-N 2 1 272.436 3.256 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000249142117 377470349 /nfs/dbraw/zinc/47/03/49/377470349.db2.gz WEZUGCHLVWOYDE-IPMKNSEASA-N 2 1 286.463 3.329 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000249155527 377471798 /nfs/dbraw/zinc/47/17/98/377471798.db2.gz YPWRXZXRGXTHGB-DOTOQJQBSA-N 2 1 290.451 3.356 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249174359 377474617 /nfs/dbraw/zinc/47/46/17/377474617.db2.gz DIVUBBBUVYWHOA-QRQLOZEOSA-N 2 1 286.463 3.428 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249215496 377481206 /nfs/dbraw/zinc/48/12/06/377481206.db2.gz ZPHWPCAHMGATNF-QRQLOZEOSA-N 2 1 286.463 3.428 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249375663 377494899 /nfs/dbraw/zinc/49/48/99/377494899.db2.gz JKWYSDWQIOVZHE-IIDMSEBBSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1(C)C ZINC000085400441 249014646 /nfs/dbraw/zinc/01/46/46/249014646.db2.gz PAUKPINFSHBGQR-WCXIOVBPSA-N 2 1 294.483 3.043 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1(C)C ZINC000085400441 249014649 /nfs/dbraw/zinc/01/46/49/249014649.db2.gz PAUKPINFSHBGQR-WCXIOVBPSA-N 2 1 294.483 3.043 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000249506706 377509703 /nfs/dbraw/zinc/50/97/03/377509703.db2.gz YONOIXFXBSVUEZ-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000249506706 377509712 /nfs/dbraw/zinc/50/97/12/377509712.db2.gz YONOIXFXBSVUEZ-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000249506706 377509721 /nfs/dbraw/zinc/50/97/21/377509721.db2.gz YONOIXFXBSVUEZ-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CC(C)(C)CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166488572 542175532 /nfs/dbraw/zinc/17/55/32/542175532.db2.gz KMWDTIKCSDGTFH-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313343693 249091183 /nfs/dbraw/zinc/09/11/83/249091183.db2.gz OXBLZRSJUCQHGJ-PBHICJAKSA-N 2 1 290.451 3.095 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314405564 249095899 /nfs/dbraw/zinc/09/58/99/249095899.db2.gz YBGISBCOGXUGQJ-GASCZTMLSA-N 2 1 284.403 3.173 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000469864611 249160172 /nfs/dbraw/zinc/16/01/72/249160172.db2.gz WCRKYCWLAIJMAX-OLZOCXBDSA-N 2 1 266.816 3.126 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C12CCCC2 ZINC000250506417 377560338 /nfs/dbraw/zinc/56/03/38/377560338.db2.gz MQBXJOMUPJFMGI-IXDOHACOSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000469983910 249165230 /nfs/dbraw/zinc/16/52/30/249165230.db2.gz JLKHMPHBRIWHRJ-IRXDYDNUSA-N 2 1 272.436 3.092 20 0 CGADMP CCc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000515279151 249206430 /nfs/dbraw/zinc/20/64/30/249206430.db2.gz IHAWRGULKPSBCB-ZDUSSCGKSA-N 2 1 266.454 3.227 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000515279151 249206432 /nfs/dbraw/zinc/20/64/32/249206432.db2.gz IHAWRGULKPSBCB-ZDUSSCGKSA-N 2 1 266.454 3.227 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000469997120 249166091 /nfs/dbraw/zinc/16/60/91/249166091.db2.gz VWASINHPWABCLN-AEFFLSMTSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470010039 249166426 /nfs/dbraw/zinc/16/64/26/249166426.db2.gz VZIDKDKUPXNOOQ-NXHRZFHOSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470010039 249166427 /nfs/dbraw/zinc/16/64/27/249166427.db2.gz VZIDKDKUPXNOOQ-NXHRZFHOSA-N 2 1 272.436 3.082 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251129559 377574513 /nfs/dbraw/zinc/57/45/13/377574513.db2.gz XWVVYBSZOXZJKJ-KCPJHIHWSA-N 2 1 266.816 3.460 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccccc1F ZINC000251308777 377580796 /nfs/dbraw/zinc/58/07/96/377580796.db2.gz JOOPMOKFRLRFOA-DOMZBBRYSA-N 2 1 252.377 3.192 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000251308777 377580801 /nfs/dbraw/zinc/58/08/01/377580801.db2.gz JOOPMOKFRLRFOA-DOMZBBRYSA-N 2 1 252.377 3.192 20 0 CGADMP C[C@@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)C[NH+](C)C ZINC000516903050 249248034 /nfs/dbraw/zinc/24/80/34/249248034.db2.gz LDJXSGZFBZOMIM-ZDUSSCGKSA-N 2 1 295.496 3.478 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000515407410 249210880 /nfs/dbraw/zinc/21/08/80/249210880.db2.gz VCRNLOJPBQYECP-ZDUSSCGKSA-N 2 1 294.389 3.137 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)ccc1Cl ZINC000518534495 249282687 /nfs/dbraw/zinc/28/26/87/249282687.db2.gz IKEINGIMOMTKGH-DTWKUNHWSA-N 2 1 261.196 3.209 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cs2)cc1 ZINC000516970312 249252460 /nfs/dbraw/zinc/25/24/60/249252460.db2.gz HWRQJSCKPRKLII-CHWSQXEVSA-N 2 1 289.448 3.334 20 0 CGADMP CC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251532321 377587086 /nfs/dbraw/zinc/58/70/86/377587086.db2.gz AJFZMBOWHDINTN-CKUJCDMFSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000251792177 377597860 /nfs/dbraw/zinc/59/78/60/377597860.db2.gz FYSIVPTYIZPPOJ-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000251792177 377597866 /nfs/dbraw/zinc/59/78/66/377597866.db2.gz FYSIVPTYIZPPOJ-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC1(C)C ZINC000252130640 377615869 /nfs/dbraw/zinc/61/58/69/377615869.db2.gz KTGALHKIRBAQGJ-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC000251968520 377608674 /nfs/dbraw/zinc/60/86/74/377608674.db2.gz YAKUEYXJPMYXNW-FAHTYWLASA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000251968520 377608683 /nfs/dbraw/zinc/60/86/83/377608683.db2.gz YAKUEYXJPMYXNW-FAHTYWLASA-N 2 1 264.457 3.416 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCC2CCCCC2)C1 ZINC000574365492 377655195 /nfs/dbraw/zinc/65/51/95/377655195.db2.gz CDNPLXVJECEKDQ-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCC2CCCCC2)C1 ZINC000574365492 377655206 /nfs/dbraw/zinc/65/52/06/377655206.db2.gz CDNPLXVJECEKDQ-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCC2CCCCC2)C1 ZINC000574365492 377655215 /nfs/dbraw/zinc/65/52/15/377655215.db2.gz CDNPLXVJECEKDQ-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252869744 377666505 /nfs/dbraw/zinc/66/65/05/377666505.db2.gz SBMUFNFOBZUJFX-AZLWOZFGSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252869744 377666512 /nfs/dbraw/zinc/66/65/12/377666512.db2.gz SBMUFNFOBZUJFX-AZLWOZFGSA-N 2 1 280.362 3.085 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1C ZINC000574678778 377694461 /nfs/dbraw/zinc/69/44/61/377694461.db2.gz XEZCVHNQBAOAEQ-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1C ZINC000574678778 377694474 /nfs/dbraw/zinc/69/44/74/377694474.db2.gz XEZCVHNQBAOAEQ-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1C ZINC000574678778 377694485 /nfs/dbraw/zinc/69/44/85/377694485.db2.gz XEZCVHNQBAOAEQ-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C(C)C)C1CC1)[NH+]1CCCC1 ZINC000574692668 377697011 /nfs/dbraw/zinc/69/70/11/377697011.db2.gz IHSGCIMTDBUFSI-CVEARBPZSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000253233031 377680725 /nfs/dbraw/zinc/68/07/25/377680725.db2.gz LPKROYAPNMJXAY-CVEARBPZSA-N 2 1 298.540 3.476 20 0 CGADMP C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H](C)[NH3+] ZINC000261546348 377815135 /nfs/dbraw/zinc/81/51/35/377815135.db2.gz KWOCDNTZPKRSRK-LSDHHAIUSA-N 2 1 284.403 3.091 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261549558 377816411 /nfs/dbraw/zinc/81/64/11/377816411.db2.gz KPWKJQATCHSIFK-SMDDNHRTSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261549558 377816417 /nfs/dbraw/zinc/81/64/17/377816417.db2.gz KPWKJQATCHSIFK-SMDDNHRTSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2C2CCCC2)CC[NH2+]1 ZINC000261572651 377820521 /nfs/dbraw/zinc/82/05/21/377820521.db2.gz LWIHMTYOMGQXNY-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261594341 377824309 /nfs/dbraw/zinc/82/43/09/377824309.db2.gz NMFHKSIEOGHVNM-FQMFCJFBSA-N 2 1 282.790 3.209 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261594341 377824317 /nfs/dbraw/zinc/82/43/17/377824317.db2.gz NMFHKSIEOGHVNM-FQMFCJFBSA-N 2 1 282.790 3.209 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261914133 377867458 /nfs/dbraw/zinc/86/74/58/377867458.db2.gz YYQBNZYFCHZXQM-AWEZNQCLSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261914133 377867461 /nfs/dbraw/zinc/86/74/61/377867461.db2.gz YYQBNZYFCHZXQM-AWEZNQCLSA-N 2 1 287.234 3.425 20 0 CGADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccsc1 ZINC000262037099 377882346 /nfs/dbraw/zinc/88/23/46/377882346.db2.gz XVOFWQUSLQERTP-ZFWWWQNUSA-N 2 1 266.454 3.001 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1C ZINC000262115697 377888789 /nfs/dbraw/zinc/88/87/89/377888789.db2.gz WWBLFDSBXPZZNY-ZWKOTPCHSA-N 2 1 272.436 3.440 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc12 ZINC000262324965 377893113 /nfs/dbraw/zinc/89/31/13/377893113.db2.gz RNRYCAIXAKKRFO-HUUCEWRRSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000262418061 377896947 /nfs/dbraw/zinc/89/69/47/377896947.db2.gz DTMOZBZTHVSIRY-MRXNPFEDSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]CC1 ZINC000261745869 377848937 /nfs/dbraw/zinc/84/89/37/377848937.db2.gz BURGSDLBKAUOIA-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1cccc(Cl)c1 ZINC000261807635 377855807 /nfs/dbraw/zinc/85/58/07/377855807.db2.gz HMQCNRZWODXALF-WXYCVUISSA-N 2 1 278.827 3.113 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261834702 377858847 /nfs/dbraw/zinc/85/88/47/377858847.db2.gz UYMUDZOOWAPQMM-MSOLQXFVSA-N 2 1 272.436 3.069 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000564823127 322044815 /nfs/dbraw/zinc/04/48/15/322044815.db2.gz SGRBUTXRNJZENA-AWEZNQCLSA-N 2 1 282.428 3.340 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000265976746 190220399 /nfs/dbraw/zinc/22/03/99/190220399.db2.gz BYRAVGNFMFSXSQ-JKSUJKDBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000265976746 190220400 /nfs/dbraw/zinc/22/04/00/190220400.db2.gz BYRAVGNFMFSXSQ-JKSUJKDBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000265976746 190220401 /nfs/dbraw/zinc/22/04/01/190220401.db2.gz BYRAVGNFMFSXSQ-JKSUJKDBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000265976746 190220402 /nfs/dbraw/zinc/22/04/02/190220402.db2.gz BYRAVGNFMFSXSQ-JKSUJKDBSA-N 2 1 260.425 3.218 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578533348 378079062 /nfs/dbraw/zinc/07/90/62/378079062.db2.gz AWMKNFGUDHVHPQ-JZIMQPMSSA-N 2 1 294.389 3.298 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000578919066 378113918 /nfs/dbraw/zinc/11/39/18/378113918.db2.gz LRJWTFCNYMYWKK-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000578919066 378113923 /nfs/dbraw/zinc/11/39/23/378113923.db2.gz LRJWTFCNYMYWKK-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000578919066 378113926 /nfs/dbraw/zinc/11/39/26/378113926.db2.gz LRJWTFCNYMYWKK-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccccc1F ZINC000268886697 378143327 /nfs/dbraw/zinc/14/33/27/378143327.db2.gz TUPUOHLTZRLSMO-LBPRGKRZSA-N 2 1 261.344 3.072 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268893500 378145483 /nfs/dbraw/zinc/14/54/83/378145483.db2.gz DPEVYKWSXCJKOR-QFBILLFUSA-N 2 1 297.446 3.168 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268893500 378145489 /nfs/dbraw/zinc/14/54/89/378145489.db2.gz DPEVYKWSXCJKOR-QFBILLFUSA-N 2 1 297.446 3.168 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+]CCC[NH+](C)C)c(C)c2c1 ZINC000268726924 378097530 /nfs/dbraw/zinc/09/75/30/378097530.db2.gz RDLLFGSFOMMHDV-ZDUSSCGKSA-N 2 1 290.407 3.352 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3cccnc32)C1 ZINC000269135545 378191803 /nfs/dbraw/zinc/19/18/03/378191803.db2.gz RFBWBJDIRAGWAA-AEFFLSMTSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000269135545 378191807 /nfs/dbraw/zinc/19/18/07/378191807.db2.gz RFBWBJDIRAGWAA-AEFFLSMTSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000269135545 378191809 /nfs/dbraw/zinc/19/18/09/378191809.db2.gz RFBWBJDIRAGWAA-AEFFLSMTSA-N 2 1 295.430 3.151 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]CC2(C)CC2)C1 ZINC000579787098 378194786 /nfs/dbraw/zinc/19/47/86/378194786.db2.gz UCRGNEXRLJWXEB-OKILXGFUSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]CC2(C)CC2)C1 ZINC000579787098 378194793 /nfs/dbraw/zinc/19/47/93/378194793.db2.gz UCRGNEXRLJWXEB-OKILXGFUSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000579891962 378204432 /nfs/dbraw/zinc/20/44/32/378204432.db2.gz PQYVNBFWZLXBFA-AQFXKWCLSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nccc2ccccc21 ZINC000579897930 378206067 /nfs/dbraw/zinc/20/60/67/378206067.db2.gz QBBWLOMLSWZPRT-LSDHHAIUSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000579897930 378206072 /nfs/dbraw/zinc/20/60/72/378206072.db2.gz QBBWLOMLSWZPRT-LSDHHAIUSA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2cc(F)ccc2SC)[C@H](C)C1 ZINC000345167636 378210376 /nfs/dbraw/zinc/21/03/76/378210376.db2.gz RXZVONBGYBCLJL-DOMZBBRYSA-N 2 1 296.455 3.368 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2SC)[C@H](C)C1 ZINC000345167636 378210383 /nfs/dbraw/zinc/21/03/83/378210383.db2.gz RXZVONBGYBCLJL-DOMZBBRYSA-N 2 1 296.455 3.368 20 0 CGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345196022 378219752 /nfs/dbraw/zinc/21/97/52/378219752.db2.gz BTTXWWSOXIKHNW-INIZCTEOSA-N 2 1 260.425 3.267 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H](C)[C@@H]1OC ZINC000344028830 378156216 /nfs/dbraw/zinc/15/62/16/378156216.db2.gz BALZGVLSQKSCFO-XKQJLSEDSA-N 2 1 294.483 3.043 20 0 CGADMP COCCC[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000268991621 378167299 /nfs/dbraw/zinc/16/72/99/378167299.db2.gz RJAFWIBRCWHLCY-SJORKVTESA-N 2 1 292.467 3.302 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]CC1 ZINC000345212421 378225283 /nfs/dbraw/zinc/22/52/83/378225283.db2.gz VCCAFHLZEBUKAF-SFHVURJKSA-N 2 1 272.436 3.139 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000583816930 378348628 /nfs/dbraw/zinc/34/86/28/378348628.db2.gz PXUVWGQRDXDLBK-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000583816930 378348630 /nfs/dbraw/zinc/34/86/30/378348630.db2.gz PXUVWGQRDXDLBK-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCC[N@@H+](CCn1ccnc1)[C@H](C)c1ccccc1OC ZINC000270858002 378405699 /nfs/dbraw/zinc/40/56/99/378405699.db2.gz RBBQQUUXJQACGD-OAHLLOKOSA-N 2 1 287.407 3.365 20 0 CGADMP Cc1nccn1CC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000270854915 378406139 /nfs/dbraw/zinc/40/61/39/378406139.db2.gz IXPOBZFGCZLJFU-QAPCUYQASA-N 2 1 283.419 3.145 20 0 CGADMP COc1ccccc1[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000270619180 378376659 /nfs/dbraw/zinc/37/66/59/378376659.db2.gz JRGWPFPVNYKJTQ-INIZCTEOSA-N 2 1 299.418 3.080 20 0 CGADMP COc1ccccc1[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000270619180 378376663 /nfs/dbraw/zinc/37/66/63/378376663.db2.gz JRGWPFPVNYKJTQ-INIZCTEOSA-N 2 1 299.418 3.080 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000270643934 378381525 /nfs/dbraw/zinc/38/15/25/378381525.db2.gz KBXCUEDIORXNCG-KRWDZBQOSA-N 2 1 287.382 3.462 20 0 CGADMP Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000270668987 378384588 /nfs/dbraw/zinc/38/45/88/378384588.db2.gz RTLARYJYTPHLOE-WMLDXEAASA-N 2 1 269.392 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000270668987 378384598 /nfs/dbraw/zinc/38/45/98/378384598.db2.gz RTLARYJYTPHLOE-WMLDXEAASA-N 2 1 269.392 3.275 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271142901 378461184 /nfs/dbraw/zinc/46/11/84/378461184.db2.gz BBHDGZAUEOBDFY-UHFFFAOYSA-N 2 1 271.408 3.130 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000346143387 378478905 /nfs/dbraw/zinc/47/89/05/378478905.db2.gz AQPKOHKWQAOZCD-AWEZNQCLSA-N 2 1 284.407 3.196 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000271656057 378500916 /nfs/dbraw/zinc/50/09/16/378500916.db2.gz FZSDUAQYVPULRC-CQSZACIVSA-N 2 1 287.407 3.330 20 0 CGADMP COc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)cc1 ZINC000271810967 378505795 /nfs/dbraw/zinc/50/57/95/378505795.db2.gz ASZJEAAQEBVATA-GOSISDBHSA-N 2 1 288.435 3.244 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000271917356 378516462 /nfs/dbraw/zinc/51/64/62/378516462.db2.gz ZGMIEWBPEBOYNN-HNNXBMFYSA-N 2 1 258.409 3.216 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000346592840 378636832 /nfs/dbraw/zinc/63/68/32/378636832.db2.gz KFBVMOQLHDEQLX-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000346592840 378636837 /nfs/dbraw/zinc/63/68/37/378636837.db2.gz KFBVMOQLHDEQLX-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC000637887246 378616218 /nfs/dbraw/zinc/61/62/18/378616218.db2.gz QRTZQANRUVESIQ-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC000637887246 378616223 /nfs/dbraw/zinc/61/62/23/378616223.db2.gz QRTZQANRUVESIQ-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000346602858 217958898 /nfs/dbraw/zinc/95/88/98/217958898.db2.gz LWCSCRRLGYANSF-IXYNUQLISA-N 2 1 263.429 3.242 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)oc2cc1C ZINC000346652557 378663490 /nfs/dbraw/zinc/66/34/90/378663490.db2.gz HKUOYGAXRMMAJB-UONOGXRCSA-N 2 1 272.392 3.219 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346956075 378698003 /nfs/dbraw/zinc/69/80/03/378698003.db2.gz BXXINPYDEWFPRA-NVXWUHKLSA-N 2 1 290.476 3.085 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346956075 378698009 /nfs/dbraw/zinc/69/80/09/378698009.db2.gz BXXINPYDEWFPRA-NVXWUHKLSA-N 2 1 290.476 3.085 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000346693850 378678282 /nfs/dbraw/zinc/67/82/82/378678282.db2.gz QAVUAMKGWDWYRT-QWRGUYRKSA-N 2 1 293.461 3.041 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272671340 378685782 /nfs/dbraw/zinc/68/57/82/378685782.db2.gz TVKUNQXTWZPYTD-QGZVFWFLSA-N 2 1 288.410 3.445 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346849182 378694032 /nfs/dbraw/zinc/69/40/32/378694032.db2.gz RSVOWTRQOASZDP-GOEBONIOSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@@H](C)[C@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC000637957881 378646023 /nfs/dbraw/zinc/64/60/23/378646023.db2.gz KTFZWQOKZRINBC-WBVHZDCISA-N 2 1 284.488 3.100 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000347993633 378747144 /nfs/dbraw/zinc/74/71/44/378747144.db2.gz BYENCTFLCCJWKR-KBXCAEBGSA-N 2 1 299.418 3.258 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3ncccc23)C1 ZINC000638127188 378711765 /nfs/dbraw/zinc/71/17/65/378711765.db2.gz HONNEXWNHGAZSX-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638127188 378711770 /nfs/dbraw/zinc/71/17/70/378711770.db2.gz HONNEXWNHGAZSX-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638127188 378711772 /nfs/dbraw/zinc/71/17/72/378711772.db2.gz HONNEXWNHGAZSX-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@H]([NH2+]C1(C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272853267 378713146 /nfs/dbraw/zinc/71/31/46/378713146.db2.gz SXJPSGMIWVVUSX-DOTOQJQBSA-N 2 1 272.436 3.429 20 0 CGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CCCC1CCCCC1 ZINC000348019371 378755782 /nfs/dbraw/zinc/75/57/82/378755782.db2.gz XTAABZKMNHGNPR-SFHVURJKSA-N 2 1 296.499 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272965459 378732055 /nfs/dbraw/zinc/73/20/55/378732055.db2.gz QWRHFTWDMGNJRX-HFTRVMKXSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272965459 378732060 /nfs/dbraw/zinc/73/20/60/378732060.db2.gz QWRHFTWDMGNJRX-HFTRVMKXSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272965459 378732063 /nfs/dbraw/zinc/73/20/63/378732063.db2.gz QWRHFTWDMGNJRX-HFTRVMKXSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272965459 378732069 /nfs/dbraw/zinc/73/20/69/378732069.db2.gz QWRHFTWDMGNJRX-HFTRVMKXSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272965459 378732074 /nfs/dbraw/zinc/73/20/74/378732074.db2.gz QWRHFTWDMGNJRX-HFTRVMKXSA-N 2 1 290.426 3.173 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000274118236 378779129 /nfs/dbraw/zinc/77/91/29/378779129.db2.gz AFUPZRZMEVHDDF-HNNXBMFYSA-N 2 1 275.440 3.163 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)sn1 ZINC000638366560 378780610 /nfs/dbraw/zinc/78/06/10/378780610.db2.gz OICWUKCTMNOLLY-ZDUSSCGKSA-N 2 1 281.469 3.053 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000348113115 378797686 /nfs/dbraw/zinc/79/76/86/378797686.db2.gz FBGQMGAZUDYVOX-GDBMZVCRSA-N 2 1 273.424 3.137 20 0 CGADMP CCC[C@H](C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1)OC ZINC000638562937 378835048 /nfs/dbraw/zinc/83/50/48/378835048.db2.gz GLAJLCRZIQPZRC-QGZVFWFLSA-N 2 1 278.440 3.043 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1C ZINC000346847424 218034580 /nfs/dbraw/zinc/03/45/80/218034580.db2.gz MLSDWCBPKVOTTF-FUHWJXTLSA-N 2 1 272.436 3.440 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346851144 218036302 /nfs/dbraw/zinc/03/63/02/218036302.db2.gz QOALTKPADLMXIQ-WMZOPIPTSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@H](CC[NH2+][C@H](C)c1cncs1)[NH+]1CCCCC1 ZINC000346861337 218040278 /nfs/dbraw/zinc/04/02/78/218040278.db2.gz KBQUJRJBNZWDPM-CHWSQXEVSA-N 2 1 267.442 3.058 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOC2CCC2)cc1 ZINC000346941406 218063953 /nfs/dbraw/zinc/06/39/53/218063953.db2.gz MDUHHZQWOPYSHV-AWEZNQCLSA-N 2 1 299.418 3.400 20 0 CGADMP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC000347008991 218091163 /nfs/dbraw/zinc/09/11/63/218091163.db2.gz FERPZUURWZDZPO-KRWDZBQOSA-N 2 1 280.415 3.443 20 0 CGADMP CC(C)O[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000638837938 378931858 /nfs/dbraw/zinc/93/18/58/378931858.db2.gz AXSIBAHZBLPGSY-GOSISDBHSA-N 2 1 288.435 3.004 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000346992158 218083121 /nfs/dbraw/zinc/08/31/21/218083121.db2.gz AJCRDZYEHNSWNA-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000276655763 378975585 /nfs/dbraw/zinc/97/55/85/378975585.db2.gz MZDKIMGJIVZFLT-GFCCVEGCSA-N 2 1 269.348 3.060 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1Cl ZINC000276621953 378968309 /nfs/dbraw/zinc/96/83/09/378968309.db2.gz ICZACSACYDYCFP-JTQLQIEISA-N 2 1 281.762 3.106 20 0 CGADMP CCC[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000370402413 379015124 /nfs/dbraw/zinc/01/51/24/379015124.db2.gz AMLGUTZVTWRJLN-SZMVWBNQSA-N 2 1 289.467 3.442 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370670552 379048705 /nfs/dbraw/zinc/04/87/05/379048705.db2.gz DRVXAVGPFMJIDJ-VGWMRTNUSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cccc(CCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277038089 379048856 /nfs/dbraw/zinc/04/88/56/379048856.db2.gz BPLIOSUIJOSEBK-SFHVURJKSA-N 2 1 274.452 3.344 20 0 CGADMP Cc1cccc(CCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277038085 379050177 /nfs/dbraw/zinc/05/01/77/379050177.db2.gz BPLIOSUIJOSEBK-GOSISDBHSA-N 2 1 274.452 3.344 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277312022 379126258 /nfs/dbraw/zinc/12/62/58/379126258.db2.gz BRUAOIBQBOVDER-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277312022 379126262 /nfs/dbraw/zinc/12/62/62/379126262.db2.gz BRUAOIBQBOVDER-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000277725564 379221950 /nfs/dbraw/zinc/22/19/50/379221950.db2.gz JNGACNKEAFGCMK-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000277725564 379221958 /nfs/dbraw/zinc/22/19/58/379221958.db2.gz JNGACNKEAFGCMK-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000277725564 379221965 /nfs/dbraw/zinc/22/19/65/379221965.db2.gz JNGACNKEAFGCMK-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2cc[nH]c21 ZINC000349405070 379266675 /nfs/dbraw/zinc/26/66/75/379266675.db2.gz HLDRBYRWEFLXRI-UHFFFAOYSA-N 2 1 285.435 3.476 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000278918149 194211795 /nfs/dbraw/zinc/21/17/95/194211795.db2.gz HNLBSKJXDGZABS-STQMWFEESA-N 2 1 275.421 3.166 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC)cc1 ZINC000278925231 194214878 /nfs/dbraw/zinc/21/48/78/194214878.db2.gz IINQMKAJVJQPDT-RHSMWYFYSA-N 2 1 299.418 3.195 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222443243 572428580 /nfs/dbraw/zinc/42/85/80/572428580.db2.gz MYGBZKCTBZOMBC-YNEHKIRRSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000374481670 379445443 /nfs/dbraw/zinc/44/54/43/379445443.db2.gz OLEJBZBUAHWRJQ-NRSFXHEJSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000374481670 379445454 /nfs/dbraw/zinc/44/54/54/379445454.db2.gz OLEJBZBUAHWRJQ-NRSFXHEJSA-N 2 1 272.436 3.395 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)CC2CCOCC2)C[C@H]1C ZINC000349966233 379464406 /nfs/dbraw/zinc/46/44/06/379464406.db2.gz GCKNSCRXXITRTC-NUJGCVRESA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)CC2CCOCC2)C[C@H]1C ZINC000349966233 379464413 /nfs/dbraw/zinc/46/44/13/379464413.db2.gz GCKNSCRXXITRTC-NUJGCVRESA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000349988577 379470913 /nfs/dbraw/zinc/47/09/13/379470913.db2.gz FGHLHYLKIRVVKT-FUHWJXTLSA-N 2 1 272.436 3.206 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000349988577 379470927 /nfs/dbraw/zinc/47/09/27/379470927.db2.gz FGHLHYLKIRVVKT-FUHWJXTLSA-N 2 1 272.436 3.206 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639930359 379655664 /nfs/dbraw/zinc/65/56/64/379655664.db2.gz WCJIOPACGXUIMX-HNNXBMFYSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639930359 379655673 /nfs/dbraw/zinc/65/56/73/379655673.db2.gz WCJIOPACGXUIMX-HNNXBMFYSA-N 2 1 273.380 3.258 20 0 CGADMP CC[C@@](C)([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000639929782 379656300 /nfs/dbraw/zinc/65/63/00/379656300.db2.gz WVBOLFHWIMPADY-MRXNPFEDSA-N 2 1 275.371 3.017 20 0 CGADMP CCC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCCO1 ZINC000351595440 379729221 /nfs/dbraw/zinc/72/92/21/379729221.db2.gz KSVPQSKQGCZIIZ-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCCO1 ZINC000351595440 379729228 /nfs/dbraw/zinc/72/92/28/379729228.db2.gz KSVPQSKQGCZIIZ-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCCO1 ZINC000351595440 379729233 /nfs/dbraw/zinc/72/92/33/379729233.db2.gz KSVPQSKQGCZIIZ-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP Cc1[nH+]ccn1CCSCC[NH+](C(C)C)C(C)C ZINC000347748459 218343815 /nfs/dbraw/zinc/34/38/15/218343815.db2.gz APWXPNSBJJTXKQ-UHFFFAOYSA-N 2 1 269.458 3.044 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352517601 379840917 /nfs/dbraw/zinc/84/09/17/379840917.db2.gz DYFMRFHVKGBAEM-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352517601 379840922 /nfs/dbraw/zinc/84/09/22/379840922.db2.gz DYFMRFHVKGBAEM-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000352535941 379847196 /nfs/dbraw/zinc/84/71/96/379847196.db2.gz XMDJNGIVZWURJM-CQSZACIVSA-N 2 1 276.355 3.275 20 0 CGADMP CCc1nc(C[N@H+](C)CCCC[NH+]2CCCCC2)cs1 ZINC000640530837 379819858 /nfs/dbraw/zinc/81/98/58/379819858.db2.gz DAFLBPMMUCHKBB-UHFFFAOYSA-N 2 1 295.496 3.403 20 0 CGADMP CCc1nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cs1 ZINC000640530837 379819868 /nfs/dbraw/zinc/81/98/68/379819868.db2.gz DAFLBPMMUCHKBB-UHFFFAOYSA-N 2 1 295.496 3.403 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000388103929 379880204 /nfs/dbraw/zinc/88/02/04/379880204.db2.gz FXFASJYUXIUVMX-NVXWUHKLSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)oc1C ZINC000282283266 379889472 /nfs/dbraw/zinc/88/94/72/379889472.db2.gz RUHBVSONMRZGNA-GFCCVEGCSA-N 2 1 261.369 3.142 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000352746564 379936344 /nfs/dbraw/zinc/93/63/44/379936344.db2.gz BXTLYTBOOXUJFA-CABCVRRESA-N 2 1 293.480 3.263 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H](C)C1 ZINC000352781494 379955933 /nfs/dbraw/zinc/95/59/33/379955933.db2.gz ZOXSPPSKROHQAN-YRGRVCCFSA-N 2 1 281.469 3.119 20 0 CGADMP CCc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000352781352 379956028 /nfs/dbraw/zinc/95/60/28/379956028.db2.gz ZDRGQQVJHNUYGO-UHFFFAOYSA-N 2 1 287.451 3.141 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000283167336 380041344 /nfs/dbraw/zinc/04/13/44/380041344.db2.gz IZAYSFMMBKABLN-PRFCVVAOSA-N 2 1 286.463 3.499 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000641798521 380111366 /nfs/dbraw/zinc/11/13/66/380111366.db2.gz JLNWUEXXPBELSR-INIZCTEOSA-N 2 1 299.418 3.353 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000353129274 380128826 /nfs/dbraw/zinc/12/88/26/380128826.db2.gz SZRAOHCBDWKQBQ-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000353129274 380128832 /nfs/dbraw/zinc/12/88/32/380128832.db2.gz SZRAOHCBDWKQBQ-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP CCCc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000642339477 380166927 /nfs/dbraw/zinc/16/69/27/380166927.db2.gz KTBGCKKQLVSJIS-UHFFFAOYSA-N 2 1 262.441 3.459 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000286178928 380171363 /nfs/dbraw/zinc/17/13/63/380171363.db2.gz QTOKNQLAGDMIRO-MRXNPFEDSA-N 2 1 257.381 3.241 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000286248262 380183066 /nfs/dbraw/zinc/18/30/66/380183066.db2.gz UHDHOMPGDCDTTI-AWEZNQCLSA-N 2 1 272.396 3.026 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414189050 380200192 /nfs/dbraw/zinc/20/01/92/380200192.db2.gz QXQSNXZAQCJIJI-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC(F)(F)CC1 ZINC000353281632 380201246 /nfs/dbraw/zinc/20/12/46/380201246.db2.gz ZOBNOAVHVHOXIR-GFCCVEGCSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]1C[C@H](NC/C=C/c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000286357362 380202119 /nfs/dbraw/zinc/20/21/19/380202119.db2.gz FUXQRLBIRQQRNB-HAXFYCRJSA-N 2 1 292.373 3.193 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(C(F)(F)F)cc1 ZINC000643056238 380208994 /nfs/dbraw/zinc/20/89/94/380208994.db2.gz RWULHMNKXWVTLU-LBPRGKRZSA-N 2 1 286.341 3.137 20 0 CGADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000643058160 380210638 /nfs/dbraw/zinc/21/06/38/380210638.db2.gz JCEIRMGXLVFBRQ-ZIAGYGMSSA-N 2 1 276.399 3.135 20 0 CGADMP CC1(c2ccccc2)CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643506989 380328548 /nfs/dbraw/zinc/32/85/48/380328548.db2.gz ORTNECMTYYHYKV-UHFFFAOYSA-N 2 1 272.436 3.229 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@H](C[NH3+])CC(C)C ZINC000643511235 380332142 /nfs/dbraw/zinc/33/21/42/380332142.db2.gz XSLMBMDDYCZPNT-OLZOCXBDSA-N 2 1 254.443 3.032 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508165 380332380 /nfs/dbraw/zinc/33/23/80/380332380.db2.gz QAYXLGKODKFOOW-CQSZACIVSA-N 2 1 264.413 3.042 20 0 CGADMP Clc1cccc([C@H]2CC[C@H]([NH2+]CC[NH2+]C3CC3)C2)c1 ZINC000643508237 380332599 /nfs/dbraw/zinc/33/25/99/380332599.db2.gz VYQLPDRKVFEGCY-BBRMVZONSA-N 2 1 278.827 3.318 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)oc21 ZINC000643508346 380332672 /nfs/dbraw/zinc/33/26/72/380332672.db2.gz PZQGNHMCIURZAV-CYBMUJFWSA-N 2 1 290.407 3.480 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCC(C2CCCCC2)CC1)C1CC1 ZINC000643512931 380333207 /nfs/dbraw/zinc/33/32/07/380333207.db2.gz LKPOKKTYDJHHIX-BDVYOWHSSA-N 2 1 264.457 3.452 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354031712 380287756 /nfs/dbraw/zinc/28/77/56/380287756.db2.gz NVIKEVBJMWMJLZ-CQSZACIVSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354031712 380287759 /nfs/dbraw/zinc/28/77/59/380287759.db2.gz NVIKEVBJMWMJLZ-CQSZACIVSA-N 2 1 263.429 3.340 20 0 CGADMP C[C@H]([NH2+]CCCCc1ccccc1)c1c[nH+]ccc1N ZINC000643458342 380310571 /nfs/dbraw/zinc/31/05/71/380310571.db2.gz OJBVVYIQBNSGAN-AWEZNQCLSA-N 2 1 269.392 3.168 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414672265 380364163 /nfs/dbraw/zinc/36/41/63/380364163.db2.gz AQADABKHLYYQOB-QLFBSQMISA-N 2 1 276.424 3.076 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccc(F)cc2F)C2CC2)CC[NH2+]1 ZINC000414682178 380370804 /nfs/dbraw/zinc/37/08/04/380370804.db2.gz XZTQUWKJXXVUBT-CHWSQXEVSA-N 2 1 294.389 3.317 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccc(F)cc2F)C2CC2)CC[NH2+]1 ZINC000414682180 380371497 /nfs/dbraw/zinc/37/14/97/380371497.db2.gz XZTQUWKJXXVUBT-OLZOCXBDSA-N 2 1 294.389 3.317 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771474 380396209 /nfs/dbraw/zinc/39/62/09/380396209.db2.gz RBTPGLOUFXVMQL-GASCZTMLSA-N 2 1 298.430 3.427 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000414707497 380381061 /nfs/dbraw/zinc/38/10/61/380381061.db2.gz ODUJRJUVOVCPFN-NWDGAFQWSA-N 2 1 254.805 3.113 20 0 CGADMP CCCOc1cccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000414708393 380382916 /nfs/dbraw/zinc/38/29/16/380382916.db2.gz CRNBZWYEYAJKJS-KRWDZBQOSA-N 2 1 290.451 3.439 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000414732177 380389099 /nfs/dbraw/zinc/38/90/99/380389099.db2.gz HZMPXFRPZVFCKK-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP CC[N@@H+](CCC[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414741999 380391097 /nfs/dbraw/zinc/39/10/97/380391097.db2.gz MWAVDCUKIBCTDT-NSHDSACASA-N 2 1 274.330 3.437 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000643526910 380342457 /nfs/dbraw/zinc/34/24/57/380342457.db2.gz HJFAPJRMOFGKAM-RISCZKNCSA-N 2 1 252.377 3.240 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000643526912 380343487 /nfs/dbraw/zinc/34/34/87/380343487.db2.gz HJFAPJRMOFGKAM-SMDDNHRTSA-N 2 1 252.377 3.240 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000643528956 380346252 /nfs/dbraw/zinc/34/62/52/380346252.db2.gz RSKCXTWQBZNSQH-SMDDNHRTSA-N 2 1 254.805 3.364 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC000414762847 380394802 /nfs/dbraw/zinc/39/48/02/380394802.db2.gz LVNLDQBIYANVLH-HNNXBMFYSA-N 2 1 298.352 3.199 20 0 CGADMP CCC[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643529177 380346809 /nfs/dbraw/zinc/34/68/09/380346809.db2.gz WMZOGAGFIJBSMJ-GWCFXTLKSA-N 2 1 274.330 3.483 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546892 380361833 /nfs/dbraw/zinc/36/18/33/380361833.db2.gz WHONNPQUOORJGK-LSDHHAIUSA-N 2 1 288.435 3.411 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546762 380361967 /nfs/dbraw/zinc/36/19/67/380361967.db2.gz UNTAETLYXCEYBJ-KGLIPLIRSA-N 2 1 274.408 3.021 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414815220 380426796 /nfs/dbraw/zinc/42/67/96/380426796.db2.gz SZMDOJHOADLPGY-SKDRFNHKSA-N 2 1 272.845 3.050 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(SCC)c1 ZINC000414819521 380430945 /nfs/dbraw/zinc/43/09/45/380430945.db2.gz YXXSJGVYABOCNT-CQSZACIVSA-N 2 1 266.454 3.406 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414821376 380431870 /nfs/dbraw/zinc/43/18/70/380431870.db2.gz CBMWGARTKLZFBE-GHMZBOCLSA-N 2 1 272.845 3.064 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414830109 380438197 /nfs/dbraw/zinc/43/81/97/380438197.db2.gz BUVNEJIPNLJRIX-SECBINFHSA-N 2 1 294.748 3.304 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCCCC1 ZINC000414836253 380443968 /nfs/dbraw/zinc/44/39/68/380443968.db2.gz FOCGPTOYOYPDDI-UHFFFAOYSA-N 2 1 270.779 3.230 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414835133 380444291 /nfs/dbraw/zinc/44/42/91/380444291.db2.gz HCOQHGOOIZVOFK-XJKSGUPXSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)Cc1ccccc1 ZINC000414851799 380454409 /nfs/dbraw/zinc/45/44/09/380454409.db2.gz PRPQCNGMIHWRJX-MAUKXSAKSA-N 2 1 274.452 3.362 20 0 CGADMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccccc1)C1CCCCC1 ZINC000414854438 380455430 /nfs/dbraw/zinc/45/54/30/380455430.db2.gz VACYIFUZQLXSHP-JEZWAEDTSA-N 2 1 258.409 3.197 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000414778982 380400190 /nfs/dbraw/zinc/40/01/90/380400190.db2.gz JXZTYMUTKNLXQR-LSDHHAIUSA-N 2 1 278.465 3.186 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000414779464 380401305 /nfs/dbraw/zinc/40/13/05/380401305.db2.gz RFNBASYUDXTAMX-UHFFFAOYSA-N 2 1 292.732 3.280 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000414779464 380401310 /nfs/dbraw/zinc/40/13/10/380401310.db2.gz RFNBASYUDXTAMX-UHFFFAOYSA-N 2 1 292.732 3.280 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414790438 380407518 /nfs/dbraw/zinc/40/75/18/380407518.db2.gz ZUUDYPZNSRYFPM-JKSUJKDBSA-N 2 1 290.426 3.210 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CCCCC1 ZINC000414854094 380456065 /nfs/dbraw/zinc/45/60/65/380456065.db2.gz UIVLZRAVSCPEDU-OKZBNKHCSA-N 2 1 272.436 3.287 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000414796811 380411199 /nfs/dbraw/zinc/41/11/99/380411199.db2.gz CJWWGBOFBZUWDR-UHFFFAOYSA-N 2 1 264.413 3.081 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000414800123 380413058 /nfs/dbraw/zinc/41/30/58/380413058.db2.gz RUFOYNFKDCUURM-LJQANCHMSA-N 2 1 298.430 3.339 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414805138 380417695 /nfs/dbraw/zinc/41/76/95/380417695.db2.gz ACLWRLJHFROHKS-RVKKMQEKSA-N 2 1 289.467 3.107 20 0 CGADMP CCn1c2ccccc2c2cc(C[NH2+][C@H](C)C[NH3+])ccc21 ZINC000414932326 380493068 /nfs/dbraw/zinc/49/30/68/380493068.db2.gz RZISXDQMNZBBQN-CYBMUJFWSA-N 2 1 281.403 3.251 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414933474 380495706 /nfs/dbraw/zinc/49/57/06/380495706.db2.gz APJMQZKOOORFTF-DKIMLUQUSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000414935923 380496545 /nfs/dbraw/zinc/49/65/45/380496545.db2.gz WJWWLVROJZKCFQ-VQIMIIECSA-N 2 1 282.431 3.167 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000415062909 380507164 /nfs/dbraw/zinc/50/71/64/380507164.db2.gz ZQVDXUKFUCBTKA-FVCCEPFGSA-N 2 1 278.362 3.024 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1C(C)(C)C1(C)C ZINC000354515488 380465857 /nfs/dbraw/zinc/46/58/57/380465857.db2.gz SRHDFFZGFBJZQK-FRRDWIJNSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1C(C)(C)C1(C)C ZINC000354515488 380465861 /nfs/dbraw/zinc/46/58/61/380465861.db2.gz SRHDFFZGFBJZQK-FRRDWIJNSA-N 2 1 252.446 3.129 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@@H](CC3CC3)C2)cn1 ZINC000354525738 380471792 /nfs/dbraw/zinc/47/17/92/380471792.db2.gz KWBPCAFGOJPFOH-KRWDZBQOSA-N 2 1 258.409 3.445 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906129 380484483 /nfs/dbraw/zinc/48/44/83/380484483.db2.gz MBIKQSKTDBVLBG-INIZCTEOSA-N 2 1 280.843 3.382 20 0 CGADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCn1ccnc1 ZINC000354834964 380559398 /nfs/dbraw/zinc/55/93/98/380559398.db2.gz WLWRAWOMJNRAAM-CHWSQXEVSA-N 2 1 273.355 3.030 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417330767 380595208 /nfs/dbraw/zinc/59/52/08/380595208.db2.gz VMLVTRBCOPNASE-LQKXBSAESA-N 2 1 290.476 3.314 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000417345274 380601586 /nfs/dbraw/zinc/60/15/86/380601586.db2.gz XLTOFLZBPIBJBM-MANSERQUSA-N 2 1 296.458 3.287 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1=CCCC1 ZINC000645891942 380763197 /nfs/dbraw/zinc/76/31/97/380763197.db2.gz SOBLLRNYRRNPSU-UHFFFAOYSA-N 2 1 261.413 3.268 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1=CCCC1 ZINC000645891942 380763200 /nfs/dbraw/zinc/76/32/00/380763200.db2.gz SOBLLRNYRRNPSU-UHFFFAOYSA-N 2 1 261.413 3.268 20 0 CGADMP CC(C)[NH+](CCN(C)c1cc[nH+]cc1Cl)C(C)C ZINC000355573362 380715121 /nfs/dbraw/zinc/71/51/21/380715121.db2.gz HWUGINDWTABSQK-UHFFFAOYSA-N 2 1 269.820 3.290 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OC2CCC2)CC1 ZINC000419311620 380799606 /nfs/dbraw/zinc/79/96/06/380799606.db2.gz YJEQMIISLDGDQK-UHFFFAOYSA-N 2 1 291.439 3.005 20 0 CGADMP C1C([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC12CCCCC2 ZINC000421332831 380877787 /nfs/dbraw/zinc/87/77/87/380877787.db2.gz MJARYOCEERMDLX-CVEARBPZSA-N 2 1 262.441 3.316 20 0 CGADMP C1C([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC12CCCCC2 ZINC000421332831 380877794 /nfs/dbraw/zinc/87/77/94/380877794.db2.gz MJARYOCEERMDLX-CVEARBPZSA-N 2 1 262.441 3.316 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357665 380851652 /nfs/dbraw/zinc/85/16/52/380851652.db2.gz DUTBTUGJENZNJQ-ROUUACIJSA-N 2 1 270.420 3.140 20 0 CGADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000420383330 380852077 /nfs/dbraw/zinc/85/20/77/380852077.db2.gz ZHEVOFJJXLDFIY-GFCCVEGCSA-N 2 1 269.458 3.177 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000420383330 380852086 /nfs/dbraw/zinc/85/20/86/380852086.db2.gz ZHEVOFJJXLDFIY-GFCCVEGCSA-N 2 1 269.458 3.177 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000356864302 380909114 /nfs/dbraw/zinc/90/91/14/380909114.db2.gz KQYDWDQUGJRMFT-KGLIPLIRSA-N 2 1 286.423 3.136 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358390113 381307307 /nfs/dbraw/zinc/30/73/07/381307307.db2.gz WZODRVKCAQZSGU-HALQFCHDSA-N 2 1 288.410 3.275 20 0 CGADMP Clc1ccc(SCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360559385 381577898 /nfs/dbraw/zinc/57/78/98/381577898.db2.gz BSMJRRMALJFLJC-OAHLLOKOSA-N 2 1 296.867 3.118 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2ccccn2)CC1 ZINC000360471729 381554624 /nfs/dbraw/zinc/55/46/24/381554624.db2.gz DWTQYSZSYBCMEV-UHFFFAOYSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000360709383 381623315 /nfs/dbraw/zinc/62/33/15/381623315.db2.gz CQEYTHNDEWQAHY-UHFFFAOYSA-N 2 1 287.382 3.257 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCn1ccnc1 ZINC000366888303 382323627 /nfs/dbraw/zinc/32/36/27/382323627.db2.gz USCNDQLXOMYMSL-NVXWUHKLSA-N 2 1 269.392 3.151 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246813382 542328640 /nfs/dbraw/zinc/32/86/40/542328640.db2.gz AUCGYDBGAHYXNP-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000368107600 382367047 /nfs/dbraw/zinc/36/70/47/382367047.db2.gz GKBZDPRLEIMZAU-QMCVQRASSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000368107600 382367049 /nfs/dbraw/zinc/36/70/49/382367049.db2.gz GKBZDPRLEIMZAU-QMCVQRASSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000368107600 382367052 /nfs/dbraw/zinc/36/70/52/382367052.db2.gz GKBZDPRLEIMZAU-QMCVQRASSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000368107600 382367057 /nfs/dbraw/zinc/36/70/57/382367057.db2.gz GKBZDPRLEIMZAU-QMCVQRASSA-N 2 1 262.441 3.005 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000251713599 542347783 /nfs/dbraw/zinc/34/77/83/542347783.db2.gz JQYNMCPCDJRHMO-FIXISWKDSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000251713599 542347784 /nfs/dbraw/zinc/34/77/84/542347784.db2.gz JQYNMCPCDJRHMO-FIXISWKDSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000251722027 542347812 /nfs/dbraw/zinc/34/78/12/542347812.db2.gz KAEZTXTXOYKGNC-BZUAXINKSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251727362 542347888 /nfs/dbraw/zinc/34/78/88/542347888.db2.gz KFXWQGUIBADLOB-UHOFOFEASA-N 2 1 264.388 3.336 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251064471 542345216 /nfs/dbraw/zinc/34/52/16/542345216.db2.gz ZNAKRORNWWAJLN-DOTOQJQBSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251064471 542345218 /nfs/dbraw/zinc/34/52/18/542345218.db2.gz ZNAKRORNWWAJLN-DOTOQJQBSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412668 542349420 /nfs/dbraw/zinc/34/94/20/542349420.db2.gz ANGAGAUUECAOIL-UKPHBRMFSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412668 542349422 /nfs/dbraw/zinc/34/94/22/542349422.db2.gz ANGAGAUUECAOIL-UKPHBRMFSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1ccccc1F ZINC000281009266 195066740 /nfs/dbraw/zinc/06/67/40/195066740.db2.gz OBYVEKRKCKTDAH-CPUCHLNUSA-N 2 1 278.415 3.077 20 0 CGADMP COC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000271704786 542365894 /nfs/dbraw/zinc/36/58/94/542365894.db2.gz NEPJPEYMOQYOKP-GOSISDBHSA-N 2 1 290.451 3.084 20 0 CGADMP CC[N@@H+](Cc1ccc(C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435392548 285099092 /nfs/dbraw/zinc/09/90/92/285099092.db2.gz XDENPDAWTZCKGS-CYBMUJFWSA-N 2 1 252.427 3.021 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000289322554 197296706 /nfs/dbraw/zinc/29/67/06/197296706.db2.gz UUPIOBNOQWHWTH-DYVFJYSZSA-N 2 1 269.392 3.420 20 0 CGADMP CO[C@H](C)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411718371 533080408 /nfs/dbraw/zinc/08/04/08/533080408.db2.gz CBOFOGPGMXDHTI-MRXNPFEDSA-N 2 1 290.451 3.139 20 0 CGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ncc[nH]2)c1 ZINC000285559328 542388041 /nfs/dbraw/zinc/38/80/41/542388041.db2.gz HEPNUGUNECOHGP-AWEZNQCLSA-N 2 1 286.423 3.102 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000289010833 197212262 /nfs/dbraw/zinc/21/22/62/197212262.db2.gz ABOVJWYTTCNICY-HNNXBMFYSA-N 2 1 272.392 3.206 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000289010833 197212264 /nfs/dbraw/zinc/21/22/64/197212264.db2.gz ABOVJWYTTCNICY-HNNXBMFYSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000289010833 197212265 /nfs/dbraw/zinc/21/22/65/197212265.db2.gz ABOVJWYTTCNICY-HNNXBMFYSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000289010833 197212266 /nfs/dbraw/zinc/21/22/66/197212266.db2.gz ABOVJWYTTCNICY-HNNXBMFYSA-N 2 1 272.392 3.206 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414170404 533167363 /nfs/dbraw/zinc/16/73/63/533167363.db2.gz BVVQUCXBTJMBFG-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423336225 533180178 /nfs/dbraw/zinc/18/01/78/533180178.db2.gz UGOZAMBDYOKFAY-CJNGLKHVSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000307814032 542422529 /nfs/dbraw/zinc/42/25/29/542422529.db2.gz PJBQELOLSBMGSF-INIZCTEOSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)C[C@@H]1c1ccccc1 ZINC000334520232 542458086 /nfs/dbraw/zinc/45/80/86/542458086.db2.gz NYXJOEYQJKBUMX-ORBLRFAASA-N 2 1 276.399 3.302 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)C[C@@H]1c1ccccc1 ZINC000334520232 542458091 /nfs/dbraw/zinc/45/80/91/542458091.db2.gz NYXJOEYQJKBUMX-ORBLRFAASA-N 2 1 276.399 3.302 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]1C1CC1)Cc1ccccc1 ZINC000348100717 542515227 /nfs/dbraw/zinc/51/52/27/542515227.db2.gz GHOKJZGPRNGWJQ-QZTJIDSGSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000348278087 542517997 /nfs/dbraw/zinc/51/79/97/542517997.db2.gz SXAFPFYSQJGINT-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000348278087 542518003 /nfs/dbraw/zinc/51/80/03/542518003.db2.gz SXAFPFYSQJGINT-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000348278087 542518008 /nfs/dbraw/zinc/51/80/08/542518008.db2.gz SXAFPFYSQJGINT-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc2c1 ZINC000423268939 533335826 /nfs/dbraw/zinc/33/58/26/533335826.db2.gz VJFJCMJCZGJSGU-FZKQIMNGSA-N 2 1 286.419 3.482 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCCC2 ZINC000423337306 533360542 /nfs/dbraw/zinc/36/05/42/533360542.db2.gz VEZMBOFTHHQOPD-CYBMUJFWSA-N 2 1 258.409 3.097 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449375436 533330825 /nfs/dbraw/zinc/33/08/25/533330825.db2.gz HDEOEUTUGPBEFF-SEEUUAMPSA-N 2 1 290.426 3.377 20 0 CGADMP COc1cccc(CCC[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420368193 533455955 /nfs/dbraw/zinc/45/59/55/533455955.db2.gz NJEXJWKZJBCYOV-SFHVURJKSA-N 2 1 290.451 3.125 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc2ccccc21 ZINC000423284911 533510996 /nfs/dbraw/zinc/51/09/96/533510996.db2.gz XMVWIPJWPDEAOE-PXAZEXFGSA-N 2 1 254.377 3.228 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccs1 ZINC000423259019 533511789 /nfs/dbraw/zinc/51/17/89/533511789.db2.gz CYDJPKPYHCTHCF-YPMHNXCESA-N 2 1 252.427 3.306 20 0 CGADMP C[C@@H]([NH2+][C@@H](Cc1ccccc1F)c1ccccc1)[C@H](C)[NH3+] ZINC000423461027 533513715 /nfs/dbraw/zinc/51/37/15/533513715.db2.gz JFWYNQRKRMJOBG-IYOUNJFTSA-N 2 1 286.394 3.435 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000414911016 542639299 /nfs/dbraw/zinc/63/92/99/542639299.db2.gz DFSBMSDNQLFBOX-IUCAKERBSA-N 2 1 279.236 3.414 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCCC2)C1 ZINC000053344077 392084817 /nfs/dbraw/zinc/08/48/17/392084817.db2.gz UKTWIAVWOWKQDV-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCCC2)C1 ZINC000053344077 392084822 /nfs/dbraw/zinc/08/48/22/392084822.db2.gz UKTWIAVWOWKQDV-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000054243950 392091126 /nfs/dbraw/zinc/09/11/26/392091126.db2.gz YNCHFLSNYRLWMY-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000081557860 392223297 /nfs/dbraw/zinc/22/32/97/392223297.db2.gz XQSUVEBSOBUTAA-KRWDZBQOSA-N 2 1 281.403 3.467 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720254 392230056 /nfs/dbraw/zinc/23/00/56/392230056.db2.gz NUAZCMJXSXZXQE-WMLDXEAASA-N 2 1 260.425 3.382 20 0 CGADMP C(C[N@@H+](C[C@H]1CCCO1)C1CCCC1)C[NH+]1CCCCC1 ZINC000361256800 392267950 /nfs/dbraw/zinc/26/79/50/392267950.db2.gz DFVBMQOPJAXMSY-GOSISDBHSA-N 2 1 294.483 3.286 20 0 CGADMP COc1ccc2ccccc2c1CNC[C@H]1CCC[N@@H+]1C ZINC000107698335 392326724 /nfs/dbraw/zinc/32/67/24/392326724.db2.gz HBRLZQXCAGBDPS-OAHLLOKOSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2ccccc2c1CNC[C@H]1CCC[N@H+]1C ZINC000107698335 392326728 /nfs/dbraw/zinc/32/67/28/392326728.db2.gz HBRLZQXCAGBDPS-OAHLLOKOSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC000245697912 131089154 /nfs/dbraw/zinc/08/91/54/131089154.db2.gz XCZZNUXFGRJASV-HYVNUMGLSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000245697912 131089155 /nfs/dbraw/zinc/08/91/55/131089155.db2.gz XCZZNUXFGRJASV-HYVNUMGLSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000245697912 131089157 /nfs/dbraw/zinc/08/91/57/131089157.db2.gz XCZZNUXFGRJASV-HYVNUMGLSA-N 2 1 258.409 3.164 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249376807 131121019 /nfs/dbraw/zinc/12/10/19/131121019.db2.gz LKYWXHUFCHKFAR-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000250254505 131125098 /nfs/dbraw/zinc/12/50/98/131125098.db2.gz IXGHRZMGPIVCCC-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)C[NH+](C)C ZINC000293730210 392526558 /nfs/dbraw/zinc/52/65/58/392526558.db2.gz QACPYLVYRCMVMF-BXUZGUMPSA-N 2 1 282.428 3.150 20 0 CGADMP CC[C@H](CN[C@H]1CCc2cc(F)ccc21)[NH+]1CCCC1 ZINC000151654767 392486028 /nfs/dbraw/zinc/48/60/28/392486028.db2.gz NZEGNLMUXPHPND-WBVHZDCISA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1n1ccnc1 ZINC000152004066 392491378 /nfs/dbraw/zinc/49/13/78/392491378.db2.gz OAKKJEHPMXCIIT-QAPCUYQASA-N 2 1 298.434 3.032 20 0 CGADMP CC(C)SCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000369503952 392499048 /nfs/dbraw/zinc/49/90/48/392499048.db2.gz PYVMNRHVUDATOW-HNNXBMFYSA-N 2 1 270.486 3.078 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000153429974 392516459 /nfs/dbraw/zinc/51/64/59/392516459.db2.gz MEEDLXWUHVYRAE-WMZOPIPTSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1cc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000302361273 392615050 /nfs/dbraw/zinc/61/50/50/392615050.db2.gz AJSOYPVUPKOBLD-KRWDZBQOSA-N 2 1 295.430 3.491 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000162453866 392595181 /nfs/dbraw/zinc/59/51/81/392595181.db2.gz PFAPORUGQUEBII-AWEZNQCLSA-N 2 1 272.396 3.060 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000162453866 392595187 /nfs/dbraw/zinc/59/51/87/392595187.db2.gz PFAPORUGQUEBII-AWEZNQCLSA-N 2 1 272.396 3.060 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163661169 392604386 /nfs/dbraw/zinc/60/43/86/392604386.db2.gz DBPSMYUCNBEFBO-PVAVHDDUSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163661169 392604392 /nfs/dbraw/zinc/60/43/92/392604392.db2.gz DBPSMYUCNBEFBO-PVAVHDDUSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000166640277 392608138 /nfs/dbraw/zinc/60/81/38/392608138.db2.gz HAGCZVDFBPOYSR-WQVCFCJDSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000166640277 392608146 /nfs/dbraw/zinc/60/81/46/392608146.db2.gz HAGCZVDFBPOYSR-WQVCFCJDSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000157887735 392550443 /nfs/dbraw/zinc/55/04/43/392550443.db2.gz UEFMYAQYVXTLIX-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC[N@@H+]1C ZINC000647331318 392675570 /nfs/dbraw/zinc/67/55/70/392675570.db2.gz YJVPONATBUSANO-CJNGLKHVSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC[N@H+]1C ZINC000647331318 392675577 /nfs/dbraw/zinc/67/55/77/392675577.db2.gz YJVPONATBUSANO-CJNGLKHVSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000647344649 392694322 /nfs/dbraw/zinc/69/43/22/392694322.db2.gz WCEFOYAJYOZTCV-LZQZEXGQSA-N 2 1 295.430 3.078 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178958958 392685237 /nfs/dbraw/zinc/68/52/37/392685237.db2.gz OZMQLKXFKLQXAT-CQSZACIVSA-N 2 1 264.438 3.057 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647307600 392656873 /nfs/dbraw/zinc/65/68/73/392656873.db2.gz DHLBVYUIIOSRPM-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000647316230 392662051 /nfs/dbraw/zinc/66/20/51/392662051.db2.gz VVAVLWDSXCMCDE-LSDHHAIUSA-N 2 1 258.409 3.056 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000647316230 392662055 /nfs/dbraw/zinc/66/20/55/392662055.db2.gz VVAVLWDSXCMCDE-LSDHHAIUSA-N 2 1 258.409 3.056 20 0 CGADMP CCCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506567209 392728728 /nfs/dbraw/zinc/72/87/28/392728728.db2.gz QJMZPOFQNOIQFB-QZTJIDSGSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506567209 392728734 /nfs/dbraw/zinc/72/87/34/392728734.db2.gz QJMZPOFQNOIQFB-QZTJIDSGSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506567209 392728740 /nfs/dbraw/zinc/72/87/40/392728740.db2.gz QJMZPOFQNOIQFB-QZTJIDSGSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506567209 392728744 /nfs/dbraw/zinc/72/87/44/392728744.db2.gz QJMZPOFQNOIQFB-QZTJIDSGSA-N 2 1 296.499 3.390 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479731 392734852 /nfs/dbraw/zinc/73/48/52/392734852.db2.gz RCCLHQRYKZXDAE-YJBOKZPZSA-N 2 1 290.426 3.352 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479731 392734858 /nfs/dbraw/zinc/73/48/58/392734858.db2.gz RCCLHQRYKZXDAE-YJBOKZPZSA-N 2 1 290.426 3.352 20 0 CGADMP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480321 392734996 /nfs/dbraw/zinc/73/49/96/392734996.db2.gz JRHSKLAQZJZHGM-AFFPJUMTSA-N 2 1 288.410 3.303 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480321 392735000 /nfs/dbraw/zinc/73/50/00/392735000.db2.gz JRHSKLAQZJZHGM-AFFPJUMTSA-N 2 1 288.410 3.303 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482586 392737119 /nfs/dbraw/zinc/73/71/19/392737119.db2.gz QZZIPSRPAZHDFU-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP Fc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1Cl ZINC000647482960 392737385 /nfs/dbraw/zinc/73/73/85/392737385.db2.gz MTKRZSPOWCYRPL-UHFFFAOYSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1Cl ZINC000647482960 392737391 /nfs/dbraw/zinc/73/73/91/392737391.db2.gz MTKRZSPOWCYRPL-UHFFFAOYSA-N 2 1 282.790 3.196 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000647490706 392738888 /nfs/dbraw/zinc/73/88/88/392738888.db2.gz KSUUTFBIEGKAMH-LBPRGKRZSA-N 2 1 290.794 3.381 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc3nc(C)sc3c2)CC[C@@H]1[NH3+] ZINC000647497254 392740565 /nfs/dbraw/zinc/74/05/65/392740565.db2.gz AZNZPGHTZIGXBF-KGLIPLIRSA-N 2 1 289.448 3.164 20 0 CGADMP CC[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000647497695 392740918 /nfs/dbraw/zinc/74/09/18/392740918.db2.gz RMULHSVXEWEWGE-MLGOLLRUSA-N 2 1 298.833 3.471 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000647497695 392740920 /nfs/dbraw/zinc/74/09/20/392740920.db2.gz RMULHSVXEWEWGE-MLGOLLRUSA-N 2 1 298.833 3.471 20 0 CGADMP CC[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647498461 392742433 /nfs/dbraw/zinc/74/24/33/392742433.db2.gz HSUGFXSZWYBZTD-HOCLYGCPSA-N 2 1 260.425 3.023 20 0 CGADMP CC[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000647498459 392743084 /nfs/dbraw/zinc/74/30/84/392743084.db2.gz HSUGFXSZWYBZTD-GDBMZVCRSA-N 2 1 260.425 3.023 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC000334704932 392747664 /nfs/dbraw/zinc/74/76/64/392747664.db2.gz CVHJHGWBJYPNPF-JSGCOSHPSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC000334704932 392747669 /nfs/dbraw/zinc/74/76/69/392747669.db2.gz CVHJHGWBJYPNPF-JSGCOSHPSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)CC[NH+]1C ZINC000334704932 392747676 /nfs/dbraw/zinc/74/76/76/392747676.db2.gz CVHJHGWBJYPNPF-JSGCOSHPSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)CC[NH+]1C ZINC000334704932 392747680 /nfs/dbraw/zinc/74/76/80/392747680.db2.gz CVHJHGWBJYPNPF-JSGCOSHPSA-N 2 1 274.399 3.226 20 0 CGADMP Fc1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542925 392760501 /nfs/dbraw/zinc/76/05/01/392760501.db2.gz DTFGWZDHOSLBAX-KBPBESRZSA-N 2 1 294.389 3.176 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000647552516 392764091 /nfs/dbraw/zinc/76/40/91/392764091.db2.gz DJBMHAXFCQFMQL-DTWKUNHWSA-N 2 1 292.757 3.157 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1c[nH+]ccc1N ZINC000335512999 392798072 /nfs/dbraw/zinc/79/80/72/392798072.db2.gz LQAOSHGRXOHFFO-APPDUMDISA-N 2 1 285.366 3.361 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647800450 392801706 /nfs/dbraw/zinc/80/17/06/392801706.db2.gz BELYPUIPKZCDTP-MNOVXSKESA-N 2 1 252.789 3.045 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000375705401 392807155 /nfs/dbraw/zinc/80/71/55/392807155.db2.gz QCHOKQUGFFAVQR-IYWMVGAKSA-N 2 1 298.474 3.329 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1C ZINC000647881220 392822642 /nfs/dbraw/zinc/82/26/42/392822642.db2.gz VIILFGNLIMDDHC-RDJZCZTQSA-N 2 1 258.409 3.050 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000647881544 392824286 /nfs/dbraw/zinc/82/42/86/392824286.db2.gz GGDROQMEVOJUMK-KBPBESRZSA-N 2 1 272.392 3.425 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC[C@@H]1[NH3+] ZINC000647934777 392836128 /nfs/dbraw/zinc/83/61/28/392836128.db2.gz PSXRONPZZHNHGR-RLCCDNCMSA-N 2 1 278.827 3.387 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC2CCC1CC2 ZINC000381574337 392912149 /nfs/dbraw/zinc/91/21/49/392912149.db2.gz ZOUSIPJICZUJDO-AMPGOEKISA-N 2 1 264.457 3.133 20 0 CGADMP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000647991889 392858211 /nfs/dbraw/zinc/85/82/11/392858211.db2.gz AIAHKUYXUMXJSC-GWCFXTLKSA-N 2 1 290.304 3.018 20 0 CGADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647995367 392860473 /nfs/dbraw/zinc/86/04/73/392860473.db2.gz RQHZLKWRTBWZAB-BZUAXINKSA-N 2 1 264.457 3.134 20 0 CGADMP CC[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459571546 392947189 /nfs/dbraw/zinc/94/71/89/392947189.db2.gz GOJITQBSOBRMIC-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000403374059 392958935 /nfs/dbraw/zinc/95/89/35/392958935.db2.gz DBRCMBUPSZECRL-QWFCFKBJSA-N 2 1 298.474 3.472 20 0 CGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340178704 392966295 /nfs/dbraw/zinc/96/62/95/392966295.db2.gz QSPQUSNVCMLTNC-MSOLQXFVSA-N 2 1 290.451 3.227 20 0 CGADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340178704 392966301 /nfs/dbraw/zinc/96/63/01/392966301.db2.gz QSPQUSNVCMLTNC-MSOLQXFVSA-N 2 1 290.451 3.227 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648405751 393000985 /nfs/dbraw/zinc/00/09/85/393000985.db2.gz GJMCHFDUVRAJHW-UHFFFAOYSA-N 2 1 295.814 3.159 20 0 CGADMP COc1ccccc1[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000648406099 393001117 /nfs/dbraw/zinc/00/11/17/393001117.db2.gz ZXAWYLZEJFPLRG-QGZVFWFLSA-N 2 1 288.435 3.222 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648413263 393004549 /nfs/dbraw/zinc/00/45/49/393004549.db2.gz PMWOCLCHTRJBEQ-BEFAXECRSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648429277 393012012 /nfs/dbraw/zinc/01/20/12/393012012.db2.gz KCZSJCZLDAGZSJ-GOSISDBHSA-N 2 1 283.419 3.119 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CCO1 ZINC000648448141 393022104 /nfs/dbraw/zinc/02/21/04/393022104.db2.gz FFBNAVBJTHECDL-QZTJIDSGSA-N 2 1 290.451 3.186 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000415004281 393089620 /nfs/dbraw/zinc/08/96/20/393089620.db2.gz HKPYVESQIXFASU-MNOVXSKESA-N 2 1 278.396 3.380 20 0 CGADMP Clc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415041468 393109074 /nfs/dbraw/zinc/10/90/74/393109074.db2.gz LKYSMLFDDDYJKA-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415041468 393109080 /nfs/dbraw/zinc/10/90/80/393109080.db2.gz LKYSMLFDDDYJKA-HOCLYGCPSA-N 2 1 278.827 3.304 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC000467409005 393097275 /nfs/dbraw/zinc/09/72/75/393097275.db2.gz SGKDNRKRFVEQSA-JCNLHEQBSA-N 2 1 272.436 3.315 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414177617 393042030 /nfs/dbraw/zinc/04/20/30/393042030.db2.gz JXVASIMTGGQRLA-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000648566531 393105802 /nfs/dbraw/zinc/10/58/02/393105802.db2.gz WSCYUIFWQXKWQH-KBAYOESNSA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000414677941 393051019 /nfs/dbraw/zinc/05/10/19/393051019.db2.gz XGYVFQRLDSQQQF-BZSNNMDCSA-N 2 1 272.436 3.022 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414950728 393059119 /nfs/dbraw/zinc/05/91/19/393059119.db2.gz GJVIKRRBKNMAFX-NWDGAFQWSA-N 2 1 288.357 3.224 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414954030 393062561 /nfs/dbraw/zinc/06/25/61/393062561.db2.gz MLGWJCYRSLJYOC-DKIMLUQUSA-N 2 1 272.436 3.128 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[NH2+]1 ZINC000414954583 393063739 /nfs/dbraw/zinc/06/37/39/393063739.db2.gz STFCTGAWULPBEL-PWSUYJOCSA-N 2 1 293.461 3.102 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414976045 393075128 /nfs/dbraw/zinc/07/51/28/393075128.db2.gz PPJBFKDIOGVQHQ-JTQLQIEISA-N 2 1 292.370 3.245 20 0 CGADMP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC(C)C ZINC000346169275 393076476 /nfs/dbraw/zinc/07/64/76/393076476.db2.gz IUNYPJBWBDSNKT-UHFFFAOYSA-N 2 1 286.423 3.444 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000348111110 393114131 /nfs/dbraw/zinc/11/41/31/393114131.db2.gz VMRQBNMUJXOLTH-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCSc1cccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000415052885 393115432 /nfs/dbraw/zinc/11/54/32/393115432.db2.gz ISRJRQJZILTQER-CQSZACIVSA-N 2 1 266.454 3.262 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415055851 393118237 /nfs/dbraw/zinc/11/82/37/393118237.db2.gz RKUKDZMSCARXRP-ZWKOTPCHSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@H](C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000415059226 393119032 /nfs/dbraw/zinc/11/90/32/393119032.db2.gz XSABRZOYQOKYHQ-BFYDXBDKSA-N 2 1 260.425 3.097 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000415059267 393120037 /nfs/dbraw/zinc/12/00/37/393120037.db2.gz UZSWMWCQDWWWRZ-QGZVFWFLSA-N 2 1 283.419 3.212 20 0 CGADMP C[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)c1cccc(Cl)c1 ZINC000415059472 393120395 /nfs/dbraw/zinc/12/03/95/393120395.db2.gz YDPHMMKPBZHYRC-BXUZGUMPSA-N 2 1 268.832 3.407 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1cccc(Cl)c1 ZINC000415059474 393120509 /nfs/dbraw/zinc/12/05/09/393120509.db2.gz YDPHMMKPBZHYRC-FZMZJTMJSA-N 2 1 268.832 3.407 20 0 CGADMP Fc1ccccc1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415081875 393134785 /nfs/dbraw/zinc/13/47/85/393134785.db2.gz CNGATTXTPYCQGP-PKOBYXMFSA-N 2 1 298.405 3.451 20 0 CGADMP c1csc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415087055 393138052 /nfs/dbraw/zinc/13/80/52/393138052.db2.gz SZGBIIWQVZHPDL-DOTOQJQBSA-N 2 1 286.444 3.374 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C[C@@H]1C[NH3+] ZINC000415134937 393156130 /nfs/dbraw/zinc/15/61/30/393156130.db2.gz WLVODSZWWGFYPN-OCCSQVGLSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C[C@@H]1C[NH3+] ZINC000415134937 393156136 /nfs/dbraw/zinc/15/61/36/393156136.db2.gz WLVODSZWWGFYPN-OCCSQVGLSA-N 2 1 293.480 3.217 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1C1CCC1 ZINC000646138373 393223310 /nfs/dbraw/zinc/22/33/10/393223310.db2.gz FEWZJDGYFKCXTJ-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646138373 393223319 /nfs/dbraw/zinc/22/33/19/393223319.db2.gz FEWZJDGYFKCXTJ-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000646138373 393223326 /nfs/dbraw/zinc/22/33/26/393223326.db2.gz FEWZJDGYFKCXTJ-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)[C@@H](C)C1 ZINC000470256904 393235297 /nfs/dbraw/zinc/23/52/97/393235297.db2.gz INAQTIPNIUTHNM-DOTOQJQBSA-N 2 1 290.451 3.164 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000470300760 393237932 /nfs/dbraw/zinc/23/79/32/393237932.db2.gz XFBBTINLTBVXPU-MOPGFXCFSA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000470300760 393237939 /nfs/dbraw/zinc/23/79/39/393237939.db2.gz XFBBTINLTBVXPU-MOPGFXCFSA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000470300760 393237945 /nfs/dbraw/zinc/23/79/45/393237945.db2.gz XFBBTINLTBVXPU-MOPGFXCFSA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000470300760 393237949 /nfs/dbraw/zinc/23/79/49/393237949.db2.gz XFBBTINLTBVXPU-MOPGFXCFSA-N 2 1 286.463 3.379 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nccc4ccccc43)C2)C1 ZINC000646243249 393245957 /nfs/dbraw/zinc/24/59/57/393245957.db2.gz LGBPHZOCERRPCE-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nccc4ccccc43)C2)C1 ZINC000646243249 393245962 /nfs/dbraw/zinc/24/59/62/393245962.db2.gz LGBPHZOCERRPCE-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nccc4ccccc43)C2)C1 ZINC000646243249 393245966 /nfs/dbraw/zinc/24/59/66/393245966.db2.gz LGBPHZOCERRPCE-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271172596 393247191 /nfs/dbraw/zinc/24/71/91/393247191.db2.gz FRUKDCLJZHCUIX-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000268924985 393208421 /nfs/dbraw/zinc/20/84/21/393208421.db2.gz RELFGHYUABTTOF-IOASZLSFSA-N 2 1 264.388 3.002 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352840982 393211029 /nfs/dbraw/zinc/21/10/29/393211029.db2.gz QAWFQQRTYOQTLX-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP CC1CCC(C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355412055 393311233 /nfs/dbraw/zinc/31/12/33/393311233.db2.gz APWQVXXLLCVQNZ-JCCCHCCOSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278896552 393328666 /nfs/dbraw/zinc/32/86/66/393328666.db2.gz FHOUIQVVYGVKAR-QAPCUYQASA-N 2 1 295.430 3.421 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000420385146 393480433 /nfs/dbraw/zinc/48/04/33/393480433.db2.gz FGJAOUDYVGCURS-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000477858365 393431292 /nfs/dbraw/zinc/43/12/92/393431292.db2.gz KNZHLRNYLODQED-QBPKDAKJSA-N 2 1 294.483 3.187 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420383607 393480987 /nfs/dbraw/zinc/48/09/87/393480987.db2.gz DLAOGNCEQWPQGA-FUHWJXTLSA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427118508 393454142 /nfs/dbraw/zinc/45/41/42/393454142.db2.gz YEAAZLVSIYOCKD-MSOLQXFVSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420301563 393455745 /nfs/dbraw/zinc/45/57/45/393455745.db2.gz LMEFZDCRWVXQBD-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2C(C)C)cc1 ZINC000420300757 393456318 /nfs/dbraw/zinc/45/63/18/393456318.db2.gz KLJKDGGGYHKLRN-WMZOPIPTSA-N 2 1 290.451 3.248 20 0 CGADMP CCC[N@@H+](CCCCC(F)(F)F)C1CC[NH2+]CC1 ZINC000420307212 393458257 /nfs/dbraw/zinc/45/82/57/393458257.db2.gz BGZVOAZSHBDELF-UHFFFAOYSA-N 2 1 266.351 3.183 20 0 CGADMP CC[C@H]1CCCCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420307599 393459470 /nfs/dbraw/zinc/45/94/70/393459470.db2.gz RMZDFDISBOVCRD-SJORKVTESA-N 2 1 290.451 3.392 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420336004 393469315 /nfs/dbraw/zinc/46/93/15/393469315.db2.gz VHZVZXBUMQFGKW-RYQLBKOJSA-N 2 1 272.436 3.378 20 0 CGADMP Cc1c(Br)cccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420356797 393473293 /nfs/dbraw/zinc/47/32/93/393473293.db2.gz GMVUENIXWUKHBX-ZDUSSCGKSA-N 2 1 299.256 3.221 20 0 CGADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429532097 393474952 /nfs/dbraw/zinc/47/49/52/393474952.db2.gz XBDHSPDHOYAYNL-KRWDZBQOSA-N 2 1 290.451 3.098 20 0 CGADMP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429532097 393474958 /nfs/dbraw/zinc/47/49/58/393474958.db2.gz XBDHSPDHOYAYNL-KRWDZBQOSA-N 2 1 290.451 3.098 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]C2CCCCC2)[C@H](c2ccccc2)C1 ZINC000647248565 393411266 /nfs/dbraw/zinc/41/12/66/393411266.db2.gz IYYCQSFALQKKNE-AEFFLSMTSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]CC2(C)CCC2)[C@H](c2ccccc2)C1 ZINC000647249156 393412454 /nfs/dbraw/zinc/41/24/54/393412454.db2.gz FTGMPZVXVKTDOA-SJORKVTESA-N 2 1 272.436 3.112 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488405826 393500248 /nfs/dbraw/zinc/50/02/48/393500248.db2.gz BNSXIONBYDBOEE-HUUCEWRRSA-N 2 1 281.469 3.091 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663145 393531729 /nfs/dbraw/zinc/53/17/29/393531729.db2.gz ZEMVDFAKXPMUBO-ZWKOTPCHSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663145 393531733 /nfs/dbraw/zinc/53/17/33/393531733.db2.gz ZEMVDFAKXPMUBO-ZWKOTPCHSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663145 393531736 /nfs/dbraw/zinc/53/17/36/393531736.db2.gz ZEMVDFAKXPMUBO-ZWKOTPCHSA-N 2 1 290.426 3.273 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430240344 393547709 /nfs/dbraw/zinc/54/77/09/393547709.db2.gz UNEFAJNANYTGKM-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430240344 393547713 /nfs/dbraw/zinc/54/77/13/393547713.db2.gz UNEFAJNANYTGKM-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430240344 393547717 /nfs/dbraw/zinc/54/77/17/393547717.db2.gz UNEFAJNANYTGKM-QGZVFWFLSA-N 2 1 286.463 3.339 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000623657277 542780630 /nfs/dbraw/zinc/78/06/30/542780630.db2.gz MQJNDRZMAITAHE-CQSZACIVSA-N 2 1 282.378 3.446 20 0 CGADMP COc1ccc(C[N@@H+](C)CCCC2CC[NH2+]CC2)cc1C ZINC000647884013 542791430 /nfs/dbraw/zinc/79/14/30/542791430.db2.gz UQNTYUAXBQZWFD-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@](C[NH3+])([NH2+]Cc1ccc(Cl)c2cccnc12)C1CC1 ZINC000430549601 393572693 /nfs/dbraw/zinc/57/26/93/393572693.db2.gz DWTIIMCJPNIOBY-MRXNPFEDSA-N 2 1 289.810 3.105 20 0 CGADMP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666770272 542814151 /nfs/dbraw/zinc/81/41/51/542814151.db2.gz QZUROYQXQVIMII-IXDOHACOSA-N 2 1 276.399 3.194 20 0 CGADMP c1ccc(CSCC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000430750896 393593433 /nfs/dbraw/zinc/59/34/33/393593433.db2.gz QIJOBTIAPUDDBG-SJORKVTESA-N 2 1 290.476 3.136 20 0 CGADMP c1ccc(CSCC[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000430750896 393593436 /nfs/dbraw/zinc/59/34/36/393593436.db2.gz QIJOBTIAPUDDBG-SJORKVTESA-N 2 1 290.476 3.136 20 0 CGADMP C[C@](C[NH3+])([NH2+]CCc1ccc2ccccc2c1)C1CC1 ZINC000430592654 393580960 /nfs/dbraw/zinc/58/09/60/393580960.db2.gz NOCKCMUIESGEDG-GOSISDBHSA-N 2 1 268.404 3.099 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000432430018 393613941 /nfs/dbraw/zinc/61/39/41/393613941.db2.gz RLYAXEZELDQAJD-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000432430018 393613944 /nfs/dbraw/zinc/61/39/44/393613944.db2.gz RLYAXEZELDQAJD-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP c1cc(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000360966771 393627228 /nfs/dbraw/zinc/62/72/28/393627228.db2.gz UOIUACONHOSXOI-MRXNPFEDSA-N 2 1 278.465 3.098 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090766 393632098 /nfs/dbraw/zinc/63/20/98/393632098.db2.gz OHCQVQSVLFXEEO-HIFRSBDPSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090766 393632101 /nfs/dbraw/zinc/63/21/01/393632101.db2.gz OHCQVQSVLFXEEO-HIFRSBDPSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090766 393632103 /nfs/dbraw/zinc/63/21/03/393632103.db2.gz OHCQVQSVLFXEEO-HIFRSBDPSA-N 2 1 296.405 3.312 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CCC2 ZINC000423134119 393652229 /nfs/dbraw/zinc/65/22/29/393652229.db2.gz WNNRAAVPWPFUFD-XKQJLSEDSA-N 2 1 258.409 3.103 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(OC)cc1 ZINC000423258647 393655926 /nfs/dbraw/zinc/65/59/26/393655926.db2.gz CFSXEOYOTKFDAY-HOCLYGCPSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423258108 393655973 /nfs/dbraw/zinc/65/59/73/393655973.db2.gz AZTCKLQILHATLL-ZFWWWQNUSA-N 2 1 266.816 3.290 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CCCO2 ZINC000423321143 393661228 /nfs/dbraw/zinc/66/12/28/393661228.db2.gz MVSVTNZHCMYAME-DLBZAZTESA-N 2 1 288.435 3.351 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CC1([NH3+])CCC1)CCS2 ZINC000423325133 393661487 /nfs/dbraw/zinc/66/14/87/393661487.db2.gz KWVVBIWOTJDGRV-CQSZACIVSA-N 2 1 276.449 3.311 20 0 CGADMP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000423368801 393663754 /nfs/dbraw/zinc/66/37/54/393663754.db2.gz NOJCTWZAHGNRBW-CMPLNLGQSA-N 2 1 272.845 3.148 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423457896 393668475 /nfs/dbraw/zinc/66/84/75/393668475.db2.gz GHZLUZHMXFIVNJ-JSGCOSHPSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423463134 393669399 /nfs/dbraw/zinc/66/93/99/393669399.db2.gz LCWWBRMOUHBCMZ-BHDSKKPTSA-N 2 1 297.240 3.152 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423484162 393670448 /nfs/dbraw/zinc/67/04/48/393670448.db2.gz YIYZDJRPIJLUDX-BLLLJJGKSA-N 2 1 271.408 3.181 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cnc2ccsc2c1 ZINC000423496452 393671517 /nfs/dbraw/zinc/67/15/17/393671517.db2.gz DWVQWUXPBGLJJY-NHYWBVRUSA-N 2 1 289.448 3.464 20 0 CGADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[NH2+]C ZINC000435872246 393715904 /nfs/dbraw/zinc/71/59/04/393715904.db2.gz XQEDSKKATMRWLK-DLBZAZTESA-N 2 1 260.425 3.254 20 0 CGADMP C(C[C@H]1CCOC1)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000438209761 393721810 /nfs/dbraw/zinc/72/18/10/393721810.db2.gz SVULVLQVTAYYBA-ZWKOTPCHSA-N 2 1 294.483 3.047 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000502013940 393866403 /nfs/dbraw/zinc/86/64/03/393866403.db2.gz BAHLLOWEICTCGW-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CC1(C)CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000446058740 393842916 /nfs/dbraw/zinc/84/29/16/393842916.db2.gz COAJEIKACQBQIN-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP Clc1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999409 542835243 /nfs/dbraw/zinc/83/52/43/542835243.db2.gz DWTXNBPBNYNEPX-CYBMUJFWSA-N 2 1 264.800 3.104 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000453082689 394165100 /nfs/dbraw/zinc/16/51/00/394165100.db2.gz MEXAFIKCSJUOJE-JZXOWHBKSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CCC1 ZINC000453106356 394173676 /nfs/dbraw/zinc/17/36/76/394173676.db2.gz IXLVGFLFIAUXNJ-BBRMVZONSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](C2CC2)C2CCCC2)CCCO1 ZINC000453218042 394208781 /nfs/dbraw/zinc/20/87/81/394208781.db2.gz RWLBUMLFQCFOPW-CRAIPNDOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](C2CC2)C2CCCC2)CCCO1 ZINC000453218042 394208783 /nfs/dbraw/zinc/20/87/83/394208783.db2.gz RWLBUMLFQCFOPW-CRAIPNDOSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C1CC1 ZINC000453408140 394236738 /nfs/dbraw/zinc/23/67/38/394236738.db2.gz SHBQKDPXMRPMPI-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)ccc1F ZINC000453411371 394238072 /nfs/dbraw/zinc/23/80/72/394238072.db2.gz VLTPLWILXFDSQT-GFCCVEGCSA-N 2 1 282.378 3.490 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000667493753 542876093 /nfs/dbraw/zinc/87/60/93/542876093.db2.gz BEACPGGMPAXICK-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000667493753 542876095 /nfs/dbraw/zinc/87/60/95/542876095.db2.gz BEACPGGMPAXICK-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1F ZINC000453420906 394242025 /nfs/dbraw/zinc/24/20/25/394242025.db2.gz ZXATWLYRZDXCGK-CYBMUJFWSA-N 2 1 294.414 3.359 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1csc(C(C)(C)C)n1)C1CC1 ZINC000453603304 394255357 /nfs/dbraw/zinc/25/53/57/394255357.db2.gz XHCPVUNWTPIOCN-UHFFFAOYSA-N 2 1 295.496 3.405 20 0 CGADMP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000667503229 542880334 /nfs/dbraw/zinc/88/03/34/542880334.db2.gz FAJNTYUNTRIXFE-UHFFFAOYSA-N 2 1 270.380 3.032 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c(C)c1 ZINC000667587191 542893679 /nfs/dbraw/zinc/89/36/79/542893679.db2.gz JRIPCSYGMZARSG-KRWDZBQOSA-N 2 1 299.418 3.427 20 0 CGADMP CC(C)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667670694 542912949 /nfs/dbraw/zinc/91/29/49/542912949.db2.gz XSMNLRJHWWHNNE-UHFFFAOYSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@@H]1CC[C@]2(CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000667964664 542950175 /nfs/dbraw/zinc/95/01/75/542950175.db2.gz NJAPCBQMGYNROQ-QAPCUYQASA-N 2 1 296.418 3.279 20 0 CGADMP C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000667964664 542950177 /nfs/dbraw/zinc/95/01/77/542950177.db2.gz NJAPCBQMGYNROQ-QAPCUYQASA-N 2 1 296.418 3.279 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784533 543061714 /nfs/dbraw/zinc/06/17/14/543061714.db2.gz DXUOQMYLNFELIF-RCCFBDPRSA-N 2 1 294.483 3.021 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C(C)(C)C ZINC000670265172 543148002 /nfs/dbraw/zinc/14/80/02/543148002.db2.gz VMOIYDWSDLTOPL-HOCLYGCPSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C(C)(C)C ZINC000670265172 543148004 /nfs/dbraw/zinc/14/80/04/543148004.db2.gz VMOIYDWSDLTOPL-HOCLYGCPSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C(C)(C)C ZINC000670265172 543148005 /nfs/dbraw/zinc/14/80/05/543148005.db2.gz VMOIYDWSDLTOPL-HOCLYGCPSA-N 2 1 266.473 3.332 20 0 CGADMP C[N@H+](C/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000671724935 543181162 /nfs/dbraw/zinc/18/11/62/543181162.db2.gz RTYJYMPOEBCIQY-WXZRCZBMSA-N 2 1 270.420 3.257 20 0 CGADMP C[N@@H+](C/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000671724935 543181164 /nfs/dbraw/zinc/18/11/64/543181164.db2.gz RTYJYMPOEBCIQY-WXZRCZBMSA-N 2 1 270.420 3.257 20 0 CGADMP C[NH+](C/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000671724935 543181166 /nfs/dbraw/zinc/18/11/66/543181166.db2.gz RTYJYMPOEBCIQY-WXZRCZBMSA-N 2 1 270.420 3.257 20 0 CGADMP C[NH+](C/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000671724935 543181167 /nfs/dbraw/zinc/18/11/67/543181167.db2.gz RTYJYMPOEBCIQY-WXZRCZBMSA-N 2 1 270.420 3.257 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062077738 397638181 /nfs/dbraw/zinc/63/81/81/397638181.db2.gz QTHIHHPLXTXYJZ-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000386849146 397689789 /nfs/dbraw/zinc/68/97/89/397689789.db2.gz XQBNACZACQWJQP-AEFFLSMTSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCc2ccc(F)cc21 ZINC000649894853 397746512 /nfs/dbraw/zinc/74/65/12/397746512.db2.gz WOIWOXYSDVKJIV-PBHICJAKSA-N 2 1 290.426 3.272 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCc2ccc(F)cc21 ZINC000649894853 397746515 /nfs/dbraw/zinc/74/65/15/397746515.db2.gz WOIWOXYSDVKJIV-PBHICJAKSA-N 2 1 290.426 3.272 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCc2ccc(F)cc21 ZINC000649894853 397746519 /nfs/dbraw/zinc/74/65/19/397746519.db2.gz WOIWOXYSDVKJIV-PBHICJAKSA-N 2 1 290.426 3.272 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC000650707625 397898287 /nfs/dbraw/zinc/89/82/87/397898287.db2.gz JVPPEMHSTWSBAV-KURKYZTESA-N 2 1 294.483 3.175 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC[NH2+]1 ZINC000650708954 397898479 /nfs/dbraw/zinc/89/84/79/397898479.db2.gz WOVNQWBWFQHNQM-IIDMSEBBSA-N 2 1 290.426 3.177 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000675881800 543370191 /nfs/dbraw/zinc/37/01/91/543370191.db2.gz NNNOZQWEUBNNAR-KBAYOESNSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@@H+](CC)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000676413937 543396435 /nfs/dbraw/zinc/39/64/35/543396435.db2.gz IZAHLOSEESKWPR-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CCc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677242391 543441419 /nfs/dbraw/zinc/44/14/19/543441419.db2.gz ZUOBAUDDJLZMNX-ROUUACIJSA-N 2 1 272.436 3.008 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)CCCC2)CC1 ZINC000495090310 292169962 /nfs/dbraw/zinc/16/99/62/292169962.db2.gz HVTRCMJHCUNWKE-HLLBOEOZSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+](Cc1ccccc1C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000678153854 543488919 /nfs/dbraw/zinc/48/89/19/543488919.db2.gz STHBMIWXBUJDOU-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](Cc1ccccc1C1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000678153854 543488921 /nfs/dbraw/zinc/48/89/21/543488921.db2.gz STHBMIWXBUJDOU-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](Cc1ccccc1C1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000678153854 543488923 /nfs/dbraw/zinc/48/89/23/543488923.db2.gz STHBMIWXBUJDOU-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H](C)C(C)C ZINC000678217784 543495302 /nfs/dbraw/zinc/49/53/02/543495302.db2.gz NBJHVCOFGUNKOD-MRXNPFEDSA-N 2 1 292.467 3.493 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCCCC2)[C@@H](C)C1 ZINC000678597904 543541055 /nfs/dbraw/zinc/54/10/55/543541055.db2.gz JUYURTCIMVZCMB-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[N@@H+](C)CC1CCN(c2ccncc2F)CC1 ZINC000678788003 543558443 /nfs/dbraw/zinc/55/84/43/543558443.db2.gz BWGYJTKVLIXREW-UHFFFAOYSA-N 2 1 279.403 3.169 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)cc1 ZINC000271839476 292204488 /nfs/dbraw/zinc/20/44/88/292204488.db2.gz GPXRSUGQKIKLKP-GOSISDBHSA-N 2 1 270.420 3.298 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC(C)(C)c1ccccc1 ZINC000678815562 543561720 /nfs/dbraw/zinc/56/17/20/543561720.db2.gz HKKCZENTRKRWEZ-MRXNPFEDSA-N 2 1 274.452 3.238 20 0 CGADMP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834321 165104011 /nfs/dbraw/zinc/10/40/11/165104011.db2.gz IVKGLXJTAHXDBO-QGZVFWFLSA-N 2 1 288.435 3.003 20 0 CGADMP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834321 165104013 /nfs/dbraw/zinc/10/40/13/165104013.db2.gz IVKGLXJTAHXDBO-QGZVFWFLSA-N 2 1 288.435 3.003 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000076004405 165105453 /nfs/dbraw/zinc/10/54/53/165105453.db2.gz UFHMTHJRPICYBG-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586090 287102945 /nfs/dbraw/zinc/10/29/45/287102945.db2.gz WTSSXGUCNCBEAR-JYJNAYRXSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749432 165214121 /nfs/dbraw/zinc/21/41/21/165214121.db2.gz OIAHMAFEDFWVRR-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP CCCOc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253767 165286577 /nfs/dbraw/zinc/28/65/77/165286577.db2.gz WDHHYLQKMHFLQO-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253767 165286579 /nfs/dbraw/zinc/28/65/79/165286579.db2.gz WDHHYLQKMHFLQO-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000092253767 165286582 /nfs/dbraw/zinc/28/65/82/165286582.db2.gz WDHHYLQKMHFLQO-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000092253767 165286585 /nfs/dbraw/zinc/28/65/85/165286585.db2.gz WDHHYLQKMHFLQO-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000430721974 287107513 /nfs/dbraw/zinc/10/75/13/287107513.db2.gz MARGYFVMDHGALN-GCSSGZNBSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000430721974 287107515 /nfs/dbraw/zinc/10/75/15/287107515.db2.gz MARGYFVMDHGALN-GCSSGZNBSA-N 2 1 252.446 3.274 20 0 CGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683759 165335953 /nfs/dbraw/zinc/33/59/53/165335953.db2.gz NLBYQLFJZDRQNH-KRWDZBQOSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683759 165335954 /nfs/dbraw/zinc/33/59/54/165335954.db2.gz NLBYQLFJZDRQNH-KRWDZBQOSA-N 2 1 288.435 3.003 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2[nH]ccc21 ZINC000093660209 165336332 /nfs/dbraw/zinc/33/63/32/165336332.db2.gz ZGINGAZJYNLNNP-MRXNPFEDSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2[nH]ccc21 ZINC000093660209 165336338 /nfs/dbraw/zinc/33/63/38/165336338.db2.gz ZGINGAZJYNLNNP-MRXNPFEDSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc2[nH]ccc21 ZINC000093660209 165336341 /nfs/dbraw/zinc/33/63/41/165336341.db2.gz ZGINGAZJYNLNNP-MRXNPFEDSA-N 2 1 285.435 3.474 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000093693380 287118730 /nfs/dbraw/zinc/11/87/30/287118730.db2.gz TXXBUXPQSZTJPJ-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123139855 287216269 /nfs/dbraw/zinc/21/62/69/287216269.db2.gz JDCRQMFBIBBQSF-HIFPTAJRSA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123139855 287216272 /nfs/dbraw/zinc/21/62/72/287216272.db2.gz JDCRQMFBIBBQSF-HIFPTAJRSA-N 2 1 280.378 3.427 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2(O)CCC2)cc1 ZINC000284448307 196058276 /nfs/dbraw/zinc/05/82/76/196058276.db2.gz UBVRHQQROVCUNJ-AWEZNQCLSA-N 2 1 299.418 3.136 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000020188941 171054363 /nfs/dbraw/zinc/05/43/63/171054363.db2.gz PAWAKRALXCUFJA-UHFFFAOYSA-N 2 1 298.377 3.250 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000020189421 171055608 /nfs/dbraw/zinc/05/56/08/171055608.db2.gz TZFIMWFHOZJIEC-UHFFFAOYSA-N 2 1 272.845 3.364 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000020190012 171057082 /nfs/dbraw/zinc/05/70/82/171057082.db2.gz XYSQZKBHNPIKLY-CYBMUJFWSA-N 2 1 294.414 3.359 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523973 171237051 /nfs/dbraw/zinc/23/70/51/171237051.db2.gz RNRPOTBGWBRQDZ-WZYMTQMTSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502269369 287268388 /nfs/dbraw/zinc/26/83/88/287268388.db2.gz OAQRSLKBGPXSCC-VQHPVUNQSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000246900733 287268663 /nfs/dbraw/zinc/26/86/63/287268663.db2.gz LKAMFEHDMJCDOT-VQHPVUNQSA-N 2 1 294.483 3.044 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000285416736 196279036 /nfs/dbraw/zinc/27/90/36/196279036.db2.gz JJBKWCIVALQILI-MULDZMIYSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000285416736 196279038 /nfs/dbraw/zinc/27/90/38/196279038.db2.gz JJBKWCIVALQILI-MULDZMIYSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000285416742 196279272 /nfs/dbraw/zinc/27/92/72/196279272.db2.gz JJBKWCIVALQILI-RYTMFUSVSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000285416742 196279274 /nfs/dbraw/zinc/27/92/74/196279274.db2.gz JJBKWCIVALQILI-RYTMFUSVSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1cccc(C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000037141047 172979343 /nfs/dbraw/zinc/97/93/43/172979343.db2.gz SDKNWBVOLAJBTR-UHFFFAOYSA-N 2 1 288.410 3.288 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000037248668 173060831 /nfs/dbraw/zinc/06/08/31/173060831.db2.gz KKQUOZVHRNBJHC-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248600 173060874 /nfs/dbraw/zinc/06/08/74/173060874.db2.gz UZWAVGARVJCYOT-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCCn1ccnc1C ZINC000127413219 287287581 /nfs/dbraw/zinc/28/75/81/287287581.db2.gz CXIHNNVMINQMKW-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127413219 287287582 /nfs/dbraw/zinc/28/75/82/287287582.db2.gz CXIHNNVMINQMKW-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000127413219 287287583 /nfs/dbraw/zinc/28/75/83/287287583.db2.gz CXIHNNVMINQMKW-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043533978 175062741 /nfs/dbraw/zinc/06/27/41/175062741.db2.gz ANUWTPZFQAGCAC-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000071205471 176079608 /nfs/dbraw/zinc/07/96/08/176079608.db2.gz SZTGAGBJQIYTAX-YJBOKZPZSA-N 2 1 272.436 3.429 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000129443248 287331829 /nfs/dbraw/zinc/33/18/29/287331829.db2.gz BYIJDFYPBRGJGN-HZSPNIEDSA-N 2 1 292.389 3.429 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCc3ccccc31)C2 ZINC000312778255 416533606 /nfs/dbraw/zinc/53/36/06/416533606.db2.gz AFSFKCSQZOWSNN-SZMVWBNQSA-N 2 1 270.420 3.125 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312768465 416533867 /nfs/dbraw/zinc/53/38/67/416533867.db2.gz OSJCLIBUKSLMIC-DTWKUNHWSA-N 2 1 279.236 3.414 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)[C@@H]1CC[NH3+] ZINC000404451822 416554591 /nfs/dbraw/zinc/55/45/91/416554591.db2.gz ZFHAYIWWIUBSCY-WMLDXEAASA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)[C@@H]1CC[NH3+] ZINC000404451822 416554596 /nfs/dbraw/zinc/55/45/96/416554596.db2.gz ZFHAYIWWIUBSCY-WMLDXEAASA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000129963821 287342242 /nfs/dbraw/zinc/34/22/42/287342242.db2.gz CZNLSAZWXQMZLF-YVECIDJPSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000129963821 287342243 /nfs/dbraw/zinc/34/22/43/287342243.db2.gz CZNLSAZWXQMZLF-YVECIDJPSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@H]([NH2+]CCCOC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401015 543708432 /nfs/dbraw/zinc/70/84/32/543708432.db2.gz ANUKUVAQHXQANC-HOTGVXAUSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000681052562 543761303 /nfs/dbraw/zinc/76/13/03/543761303.db2.gz JWCDVWDBODEIGV-LMSBXDPUSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)CC[N@H+]1C ZINC000131479710 287381465 /nfs/dbraw/zinc/38/14/65/287381465.db2.gz NZALAVYGNAUTIT-XJKSGUPXSA-N 2 1 278.415 3.176 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000131612483 287385439 /nfs/dbraw/zinc/38/54/39/287385439.db2.gz AXRHXXIXAKLMPB-GJZGRUSLSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000131612483 287385440 /nfs/dbraw/zinc/38/54/40/287385440.db2.gz AXRHXXIXAKLMPB-GJZGRUSLSA-N 2 1 263.429 3.340 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683766744 543939972 /nfs/dbraw/zinc/93/99/72/543939972.db2.gz HQQWQAGRVMPLIM-MRXNPFEDSA-N 2 1 283.419 3.056 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3cnccc3c2)C1 ZINC000683833108 543947120 /nfs/dbraw/zinc/94/71/20/543947120.db2.gz SWWFPUPQYQXKBO-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683833108 543947121 /nfs/dbraw/zinc/94/71/21/543947121.db2.gz SWWFPUPQYQXKBO-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000683833108 543947124 /nfs/dbraw/zinc/94/71/24/543947124.db2.gz SWWFPUPQYQXKBO-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683926569 543954210 /nfs/dbraw/zinc/95/42/10/543954210.db2.gz BGAWBKNYVQKJCG-ZDUSSCGKSA-N 2 1 282.391 3.099 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000684370159 543987273 /nfs/dbraw/zinc/98/72/73/543987273.db2.gz NMXJHWFWLPNBPR-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP FC(F)C1CC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684799535 544031170 /nfs/dbraw/zinc/03/11/70/544031170.db2.gz MFUMRUCGHPVFIK-PIMMBPRGSA-N 2 1 286.410 3.417 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2coc3ccccc23)C1 ZINC000685470770 544076514 /nfs/dbraw/zinc/07/65/14/544076514.db2.gz QNAXHBFDRQXUFX-YOEHRIQHSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2coc3ccccc23)C1 ZINC000685470770 544076516 /nfs/dbraw/zinc/07/65/16/544076516.db2.gz QNAXHBFDRQXUFX-YOEHRIQHSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000685470770 544076518 /nfs/dbraw/zinc/07/65/18/544076518.db2.gz QNAXHBFDRQXUFX-YOEHRIQHSA-N 2 1 284.403 3.349 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2coc3ccccc23)C1 ZINC000685470767 544077026 /nfs/dbraw/zinc/07/70/26/544077026.db2.gz QNAXHBFDRQXUFX-WMLDXEAASA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2coc3ccccc23)C1 ZINC000685470767 544077028 /nfs/dbraw/zinc/07/70/28/544077028.db2.gz QNAXHBFDRQXUFX-WMLDXEAASA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000685470767 544077029 /nfs/dbraw/zinc/07/70/29/544077029.db2.gz QNAXHBFDRQXUFX-WMLDXEAASA-N 2 1 284.403 3.349 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000685632897 544090830 /nfs/dbraw/zinc/09/08/30/544090830.db2.gz LUSPCQSRAUOHMS-CVEARBPZSA-N 2 1 290.451 3.263 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000685632897 544090832 /nfs/dbraw/zinc/09/08/32/544090832.db2.gz LUSPCQSRAUOHMS-CVEARBPZSA-N 2 1 290.451 3.263 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000685657947 544093218 /nfs/dbraw/zinc/09/32/18/544093218.db2.gz VIAJOQYUTGHEHZ-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000685657947 544093219 /nfs/dbraw/zinc/09/32/19/544093219.db2.gz VIAJOQYUTGHEHZ-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355091769 227390393 /nfs/dbraw/zinc/39/03/93/227390393.db2.gz XDVLYYMKYDEHEF-FMKPAKJESA-N 2 1 298.434 3.442 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000685849253 544102465 /nfs/dbraw/zinc/10/24/65/544102465.db2.gz BDFKKOMXLKBSBN-CVEARBPZSA-N 2 1 290.451 3.263 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000685849253 544102469 /nfs/dbraw/zinc/10/24/69/544102469.db2.gz BDFKKOMXLKBSBN-CVEARBPZSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000653279982 419023027 /nfs/dbraw/zinc/02/30/27/419023027.db2.gz RHRUVMUOXYTOLY-DYVFJYSZSA-N 2 1 299.393 3.199 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000653279982 419023031 /nfs/dbraw/zinc/02/30/31/419023031.db2.gz RHRUVMUOXYTOLY-DYVFJYSZSA-N 2 1 299.393 3.199 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC2CCC2)CC1 ZINC000659877581 419025567 /nfs/dbraw/zinc/02/55/67/419025567.db2.gz UINMVWRKEHVGTJ-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000659929249 419035881 /nfs/dbraw/zinc/03/58/81/419035881.db2.gz YHBUGMUITMGLLA-INIZCTEOSA-N 2 1 274.452 3.368 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000659929249 419035884 /nfs/dbraw/zinc/03/58/84/419035884.db2.gz YHBUGMUITMGLLA-INIZCTEOSA-N 2 1 274.452 3.368 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CC=CC2)CC1 ZINC000659847332 419009336 /nfs/dbraw/zinc/00/93/36/419009336.db2.gz NFHFGNVMZKISSB-UHFFFAOYSA-N 2 1 264.457 3.397 20 0 CGADMP Clc1ccc([C@H]2CCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000665241512 419088015 /nfs/dbraw/zinc/08/80/15/419088015.db2.gz OZWCGYTZHLYNBW-BPUTZDHNSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1ccc([C@H]([NH2+]CC2([NH3+])CCCC2)C2CCC2)o1 ZINC000665247711 419089810 /nfs/dbraw/zinc/08/98/10/419089810.db2.gz IPFRDRHLKIQKGU-OAHLLOKOSA-N 2 1 262.397 3.290 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Br)cc1 ZINC000665250215 419091679 /nfs/dbraw/zinc/09/16/79/419091679.db2.gz KTMVLFXEZCSROS-LLVKDONJSA-N 2 1 297.240 3.371 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(OC(F)F)c1 ZINC000665249004 419093143 /nfs/dbraw/zinc/09/31/43/419093143.db2.gz HULQKRHNJWXMOW-NSHDSACASA-N 2 1 284.350 3.210 20 0 CGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000665251932 419093532 /nfs/dbraw/zinc/09/35/32/419093532.db2.gz BYCBZSCHOWBBOH-QZTJIDSGSA-N 2 1 284.447 3.445 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCCC1 ZINC000665251612 419093829 /nfs/dbraw/zinc/09/38/29/419093829.db2.gz UHTFPIKBUWFGQE-ZTFGCOKTSA-N 2 1 272.436 3.300 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258917 419095525 /nfs/dbraw/zinc/09/55/25/419095525.db2.gz OZPBMEFLAOQLKV-WBQNTZJQSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000665274468 419098038 /nfs/dbraw/zinc/09/80/38/419098038.db2.gz QQLLZEIPJRIUQD-DXCKQFNASA-N 2 1 267.376 3.091 20 0 CGADMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc2ccccc2s1 ZINC000665279564 419100731 /nfs/dbraw/zinc/10/07/31/419100731.db2.gz GFKYQVJRZUDGJJ-FZWSLVFFSA-N 2 1 272.417 3.304 20 0 CGADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665295646 419108621 /nfs/dbraw/zinc/10/86/21/419108621.db2.gz HEAKIEKGHMBBDC-DKLOGILVSA-N 2 1 290.451 3.160 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000665297866 419110421 /nfs/dbraw/zinc/11/04/21/419110421.db2.gz NFAOMQZWSQRJKZ-LNSITVRQSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC2(CCCCC2)O1 ZINC000653908644 419110557 /nfs/dbraw/zinc/11/05/57/419110557.db2.gz RGBIELPDPBKYFG-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC2(CCCCC2)O1 ZINC000653908644 419110559 /nfs/dbraw/zinc/11/05/59/419110559.db2.gz RGBIELPDPBKYFG-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC2(CCCCC2)O1 ZINC000653908644 419110564 /nfs/dbraw/zinc/11/05/64/419110564.db2.gz RGBIELPDPBKYFG-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC2(CCCCC2)O1 ZINC000653908644 419110566 /nfs/dbraw/zinc/11/05/66/419110566.db2.gz RGBIELPDPBKYFG-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC2(CCCCC2)O1 ZINC000653908644 419110570 /nfs/dbraw/zinc/11/05/70/419110570.db2.gz RGBIELPDPBKYFG-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000665298198 419110720 /nfs/dbraw/zinc/11/07/20/419110720.db2.gz TYKBKWHLLWILSI-JGGQBBKZSA-N 2 1 280.843 3.249 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccs1 ZINC000660251685 419112389 /nfs/dbraw/zinc/11/23/89/419112389.db2.gz BEYMHIVKHNTGAI-GJZGRUSLSA-N 2 1 298.496 3.126 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccs1 ZINC000660251685 419112392 /nfs/dbraw/zinc/11/23/92/419112392.db2.gz BEYMHIVKHNTGAI-GJZGRUSLSA-N 2 1 298.496 3.126 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCCC2CCC2)CC1 ZINC000659983730 419054547 /nfs/dbraw/zinc/05/45/47/419054547.db2.gz UGDAMJVVCJODMS-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CO[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000660542539 419159050 /nfs/dbraw/zinc/15/90/50/419159050.db2.gz SZGRNTOFKAPXJT-UJJTZGENSA-N 2 1 294.483 3.139 20 0 CGADMP CO[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000660542539 419159055 /nfs/dbraw/zinc/15/90/55/419159055.db2.gz SZGRNTOFKAPXJT-UJJTZGENSA-N 2 1 294.483 3.139 20 0 CGADMP CO[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000660542539 419159057 /nfs/dbraw/zinc/15/90/57/419159057.db2.gz SZGRNTOFKAPXJT-UJJTZGENSA-N 2 1 294.483 3.139 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCCC3(C)C)C2)C1 ZINC000660615248 419169313 /nfs/dbraw/zinc/16/93/13/419169313.db2.gz DKRPSVODWVPOHG-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCCC3(C)C)C2)C1 ZINC000660615248 419169316 /nfs/dbraw/zinc/16/93/16/419169316.db2.gz DKRPSVODWVPOHG-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCCC3(C)C)C2)C1 ZINC000660615248 419169318 /nfs/dbraw/zinc/16/93/18/419169318.db2.gz DKRPSVODWVPOHG-DOTOQJQBSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000660638774 419173065 /nfs/dbraw/zinc/17/30/65/419173065.db2.gz CXQVSAUNLBQYAB-HIFRSBDPSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000660638774 419173067 /nfs/dbraw/zinc/17/30/67/419173067.db2.gz CXQVSAUNLBQYAB-HIFRSBDPSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000660638774 419173070 /nfs/dbraw/zinc/17/30/70/419173070.db2.gz CXQVSAUNLBQYAB-HIFRSBDPSA-N 2 1 274.399 3.086 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655182 419175865 /nfs/dbraw/zinc/17/58/65/419175865.db2.gz LNBFYSGZJQXPLZ-HKUYNNGSSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655182 419175870 /nfs/dbraw/zinc/17/58/70/419175870.db2.gz LNBFYSGZJQXPLZ-HKUYNNGSSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655182 419175871 /nfs/dbraw/zinc/17/58/71/419175871.db2.gz LNBFYSGZJQXPLZ-HKUYNNGSSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)s1 ZINC000660653825 419177390 /nfs/dbraw/zinc/17/73/90/419177390.db2.gz BKPPWUUXVIUGHQ-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)s1 ZINC000660653825 419177391 /nfs/dbraw/zinc/17/73/91/419177391.db2.gz BKPPWUUXVIUGHQ-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)s1 ZINC000660653825 419177395 /nfs/dbraw/zinc/17/73/95/419177395.db2.gz BKPPWUUXVIUGHQ-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C/C=C/c1ccccc1)C2 ZINC000660657147 419178200 /nfs/dbraw/zinc/17/82/00/419178200.db2.gz WAZJBBKFBXPPIB-QKYXPGDISA-N 2 1 270.420 3.118 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C/C=C/c1ccccc1)C2 ZINC000660657147 419178202 /nfs/dbraw/zinc/17/82/02/419178202.db2.gz WAZJBBKFBXPPIB-QKYXPGDISA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C/C=C/c1ccccc1)C2 ZINC000660657147 419178204 /nfs/dbraw/zinc/17/82/04/419178204.db2.gz WAZJBBKFBXPPIB-QKYXPGDISA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000660657147 419178206 /nfs/dbraw/zinc/17/82/06/419178206.db2.gz WAZJBBKFBXPPIB-QKYXPGDISA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000666083552 419188180 /nfs/dbraw/zinc/18/81/80/419188180.db2.gz ODGBEAWXXMXRLS-WMLDXEAASA-N 2 1 292.854 3.127 20 0 CGADMP C[C@H]1CCC(C)(C)[N@H+]1CCN1C[C@H](C)C[C@H](C)C1 ZINC000660755850 419191399 /nfs/dbraw/zinc/19/13/99/419191399.db2.gz UIIBNWDSRLYPHW-ZNMIVQPWSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1CCC(C)(C)N1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660755850 419191401 /nfs/dbraw/zinc/19/14/01/419191401.db2.gz UIIBNWDSRLYPHW-ZNMIVQPWSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1CCC(C)(C)N1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660755850 419191405 /nfs/dbraw/zinc/19/14/05/419191405.db2.gz UIIBNWDSRLYPHW-ZNMIVQPWSA-N 2 1 252.446 3.227 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000655939308 419128747 /nfs/dbraw/zinc/12/87/47/419128747.db2.gz FZXQRBIOOFVEID-UAGQMJEPSA-N 2 1 294.483 3.031 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)[nH]c2c1 ZINC000657374967 419263083 /nfs/dbraw/zinc/26/30/83/419263083.db2.gz BDEAJCJWNYZUOF-DZGCQCFKSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)[nH]c2c1 ZINC000657374967 419263088 /nfs/dbraw/zinc/26/30/88/419263088.db2.gz BDEAJCJWNYZUOF-DZGCQCFKSA-N 2 1 271.408 3.049 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000666228274 419200558 /nfs/dbraw/zinc/20/05/58/419200558.db2.gz YENSOMNGXCDTEA-CJNGLKHVSA-N 2 1 294.389 3.284 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784386 419218582 /nfs/dbraw/zinc/21/85/82/419218582.db2.gz CXQINVBLIABKJM-GOSISDBHSA-N 2 1 272.436 3.207 20 0 CGADMP Fc1ccc(F)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786628 419219640 /nfs/dbraw/zinc/21/96/40/419219640.db2.gz VDEGLPKEAQEQCL-CQSZACIVSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000662001481 419322388 /nfs/dbraw/zinc/32/23/88/419322388.db2.gz NXQGGRWJWGDQMU-LRVUVFPRSA-N 2 1 267.392 3.088 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198918 419358167 /nfs/dbraw/zinc/35/81/67/419358167.db2.gz XNPKSPJLCQPFMZ-DLBZAZTESA-N 2 1 272.436 3.133 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198918 419358174 /nfs/dbraw/zinc/35/81/74/419358174.db2.gz XNPKSPJLCQPFMZ-DLBZAZTESA-N 2 1 272.436 3.133 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198918 419358177 /nfs/dbraw/zinc/35/81/77/419358177.db2.gz XNPKSPJLCQPFMZ-DLBZAZTESA-N 2 1 272.436 3.133 20 0 CGADMP C(C[N@H+]1CCCC2(CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000662299638 419387679 /nfs/dbraw/zinc/38/76/79/419387679.db2.gz STPXJEHTNBPUHK-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP C(C[N@H+]1CCCC2(CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000662299637 419387974 /nfs/dbraw/zinc/38/79/74/419387974.db2.gz STPXJEHTNBPUHK-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000662312585 419389723 /nfs/dbraw/zinc/38/97/23/419389723.db2.gz IKTGUMUXJBPJJD-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657869562 419396535 /nfs/dbraw/zinc/39/65/35/419396535.db2.gz JYAUDVKHNZXXEE-UKMLZYKCSA-N 2 1 275.440 3.242 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662238745 419368421 /nfs/dbraw/zinc/36/84/21/419368421.db2.gz VIDFAPAUQYZERV-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662237406 419368755 /nfs/dbraw/zinc/36/87/55/419368755.db2.gz JZLQPPMNRHQSJV-MRXNPFEDSA-N 2 1 274.452 3.416 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@H]1CCc2ccccc21 ZINC000662248888 419372282 /nfs/dbraw/zinc/37/22/82/419372282.db2.gz DSKTYEPDIVYMKN-WBVHZDCISA-N 2 1 260.425 3.070 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CCCCC1 ZINC000662265537 419375749 /nfs/dbraw/zinc/37/57/49/419375749.db2.gz QRSDKRSQIAOTNP-OKZBNKHCSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CC[C@H]1[NH3+] ZINC000662271268 419378951 /nfs/dbraw/zinc/37/89/51/419378951.db2.gz UTHCSDDIPUXNNH-RBSFLKMASA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCSCC2)C1 ZINC000657838631 419380388 /nfs/dbraw/zinc/38/03/88/419380388.db2.gz DIEMGJLFZMXZLR-XHSDSOJGSA-N 2 1 284.513 3.230 20 0 CGADMP COC1([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000657839372 419381399 /nfs/dbraw/zinc/38/13/99/419381399.db2.gz TUOYFJZKWBJEEX-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@H]1CCc2ccccc21 ZINC000662276596 419381651 /nfs/dbraw/zinc/38/16/51/419381651.db2.gz KRTYMCXNUKAXAN-ZBFHGGJFSA-N 2 1 260.425 3.070 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1Cl ZINC000662286604 419385259 /nfs/dbraw/zinc/38/52/59/419385259.db2.gz RQEKXEUWXUATHC-JSGCOSHPSA-N 2 1 296.842 3.298 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1Cl ZINC000662286604 419385265 /nfs/dbraw/zinc/38/52/65/419385265.db2.gz RQEKXEUWXUATHC-JSGCOSHPSA-N 2 1 296.842 3.298 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657847023 419385832 /nfs/dbraw/zinc/38/58/32/419385832.db2.gz ZLAFLNSIEPPKRU-CHWSQXEVSA-N 2 1 297.393 3.402 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657847023 419385837 /nfs/dbraw/zinc/38/58/37/419385837.db2.gz ZLAFLNSIEPPKRU-CHWSQXEVSA-N 2 1 297.393 3.402 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000657983074 419477533 /nfs/dbraw/zinc/47/75/33/419477533.db2.gz RAHRRKWLVSVBSY-HNNXBMFYSA-N 2 1 291.826 3.227 20 0 CGADMP c1cc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)ccc2[nH]1 ZINC000663343676 419567476 /nfs/dbraw/zinc/56/74/76/419567476.db2.gz AVOFIKLHNPUDTN-QGZVFWFLSA-N 2 1 297.446 3.380 20 0 CGADMP Fc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346692 419567901 /nfs/dbraw/zinc/56/79/01/419567901.db2.gz MTCNCJOBIGSYCX-OAHLLOKOSA-N 2 1 276.399 3.037 20 0 CGADMP Fc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346692 419567904 /nfs/dbraw/zinc/56/79/04/419567904.db2.gz MTCNCJOBIGSYCX-OAHLLOKOSA-N 2 1 276.399 3.037 20 0 CGADMP c1c2ccccc2[nH]c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344537 419569852 /nfs/dbraw/zinc/56/98/52/419569852.db2.gz VMYJHPFQOCOSSL-MRXNPFEDSA-N 2 1 297.446 3.380 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@]2(c3ccccc3)CC2(C)C)CC1 ZINC000663369213 419579475 /nfs/dbraw/zinc/57/94/75/419579475.db2.gz UHBQCUBWJBWVLW-SFHVURJKSA-N 2 1 272.436 3.038 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000663515039 419639706 /nfs/dbraw/zinc/63/97/06/419639706.db2.gz YPIRNALQZFZKPC-GFCCVEGCSA-N 2 1 288.357 3.226 20 0 CGADMP C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466056 419615613 /nfs/dbraw/zinc/61/56/13/419615613.db2.gz NORSTSBFSWZJOZ-IRXDYDNUSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCSCC1 ZINC000663464679 419615968 /nfs/dbraw/zinc/61/59/68/419615968.db2.gz FYKLFNCLQSBQTM-HOCLYGCPSA-N 2 1 296.524 3.230 20 0 CGADMP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465574 419617321 /nfs/dbraw/zinc/61/73/21/419617321.db2.gz KQFUKYDNRWPECK-BPQIPLTHSA-N 2 1 276.468 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccoc1 ZINC000663467711 419621864 /nfs/dbraw/zinc/62/18/64/419621864.db2.gz HKKHRNKJANECDE-DZGCQCFKSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccoc1 ZINC000663467711 419621871 /nfs/dbraw/zinc/62/18/71/419621871.db2.gz HKKHRNKJANECDE-DZGCQCFKSA-N 2 1 262.397 3.052 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000663509928 419640679 /nfs/dbraw/zinc/64/06/79/419640679.db2.gz BKRMYZJHZGJPGO-NWDGAFQWSA-N 2 1 288.357 3.224 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228745 419684690 /nfs/dbraw/zinc/68/46/90/419684690.db2.gz LTLSJROIIULTNT-ZBFHGGJFSA-N 2 1 276.424 3.207 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228745 419684699 /nfs/dbraw/zinc/68/46/99/419684699.db2.gz LTLSJROIIULTNT-ZBFHGGJFSA-N 2 1 276.424 3.207 20 0 CGADMP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228780 419687097 /nfs/dbraw/zinc/68/70/97/419687097.db2.gz MLCIWLSADJPASU-XJNFMUPTSA-N 2 1 262.441 3.172 20 0 CGADMP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228780 419687104 /nfs/dbraw/zinc/68/71/04/419687104.db2.gz MLCIWLSADJPASU-XJNFMUPTSA-N 2 1 262.441 3.172 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000663512610 419642168 /nfs/dbraw/zinc/64/21/68/419642168.db2.gz GOFZRLLZNVEFKQ-INIZCTEOSA-N 2 1 282.431 3.038 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000663510100 419642238 /nfs/dbraw/zinc/64/22/38/419642238.db2.gz CDSDFLAISGXQFH-CORIIIEPSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000663521977 419644911 /nfs/dbraw/zinc/64/49/11/419644911.db2.gz ZLZLOFFABDLEDO-UHFFFAOYSA-N 2 1 287.329 3.163 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NC[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000663931358 419764110 /nfs/dbraw/zinc/76/41/10/419764110.db2.gz MAXPGFIUXFJVCT-SECBINFHSA-N 2 1 275.318 3.018 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000227103187 287637206 /nfs/dbraw/zinc/63/72/06/287637206.db2.gz RHIOPFJETOSISA-XDNAFOTISA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000041721106 270031147 /nfs/dbraw/zinc/03/11/47/270031147.db2.gz YYLFINOTFBDIQM-CQSZACIVSA-N 2 1 269.392 3.377 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000044534634 270036003 /nfs/dbraw/zinc/03/60/03/270036003.db2.gz ADBPFJUGUNAKMW-QWHCGFSZSA-N 2 1 298.377 3.280 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)F ZINC000044534634 270036005 /nfs/dbraw/zinc/03/60/05/270036005.db2.gz ADBPFJUGUNAKMW-QWHCGFSZSA-N 2 1 298.377 3.280 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533764 270036158 /nfs/dbraw/zinc/03/61/58/270036158.db2.gz XVYCUXYWEMFAND-CHWSQXEVSA-N 2 1 298.377 3.280 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000044535863 270036902 /nfs/dbraw/zinc/03/69/02/270036902.db2.gz YYPZEJDAIWJLHX-GFCCVEGCSA-N 2 1 286.341 3.137 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000184345754 270057973 /nfs/dbraw/zinc/05/79/73/270057973.db2.gz IKANZJNXOPFPKV-HOTGVXAUSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000184345754 270057974 /nfs/dbraw/zinc/05/79/74/270057974.db2.gz IKANZJNXOPFPKV-HOTGVXAUSA-N 2 1 275.440 3.161 20 0 CGADMP c1ccc(CCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000187072576 270067955 /nfs/dbraw/zinc/06/79/55/270067955.db2.gz SJXUGWXSZZQCCM-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223110835 270086364 /nfs/dbraw/zinc/08/63/64/270086364.db2.gz DBPSMYUCNBEFBO-UAGQMJEPSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223110835 270086365 /nfs/dbraw/zinc/08/63/65/270086365.db2.gz DBPSMYUCNBEFBO-UAGQMJEPSA-N 2 1 260.425 3.080 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000223360761 270086550 /nfs/dbraw/zinc/08/65/50/270086550.db2.gz KJSXBCAFCRXKFJ-ZOBUZTSGSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000223360761 270086551 /nfs/dbraw/zinc/08/65/51/270086551.db2.gz KJSXBCAFCRXKFJ-ZOBUZTSGSA-N 2 1 260.425 3.437 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228828260 270087971 /nfs/dbraw/zinc/08/79/71/270087971.db2.gz GZFFIVFIPCNATJ-UHFFFAOYSA-N 2 1 278.415 3.393 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228828260 270087972 /nfs/dbraw/zinc/08/79/72/270087972.db2.gz GZFFIVFIPCNATJ-UHFFFAOYSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000321963881 270093271 /nfs/dbraw/zinc/09/32/71/270093271.db2.gz ZAPZEJAJXPRFJW-AHCXZYCDSA-N 2 1 272.436 3.143 20 0 CGADMP CC(C)CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000459448407 270096326 /nfs/dbraw/zinc/09/63/26/270096326.db2.gz RJTCGSWITOCMMD-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000525181085 270117756 /nfs/dbraw/zinc/11/77/56/270117756.db2.gz OVMKWOQDBDOFIP-UHFFFAOYSA-N 2 1 298.430 3.385 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000527115721 270125680 /nfs/dbraw/zinc/12/56/80/270125680.db2.gz KYDFQNOSMXYETA-TWMKSMIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000527115721 270125681 /nfs/dbraw/zinc/12/56/81/270125681.db2.gz KYDFQNOSMXYETA-TWMKSMIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000527115721 270125682 /nfs/dbraw/zinc/12/56/82/270125682.db2.gz KYDFQNOSMXYETA-TWMKSMIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527111818 270125899 /nfs/dbraw/zinc/12/58/99/270125899.db2.gz ZJFNPDOZWZFLNH-UONOGXRCSA-N 2 1 266.404 3.249 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527111818 270125900 /nfs/dbraw/zinc/12/59/00/270125900.db2.gz ZJFNPDOZWZFLNH-UONOGXRCSA-N 2 1 266.404 3.249 20 0 CGADMP C1=CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000527743671 270133785 /nfs/dbraw/zinc/13/37/85/270133785.db2.gz HMVUJMTXCBGANL-UHFFFAOYSA-N 2 1 284.447 3.249 20 0 CGADMP CCOc1cccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527807169 270137046 /nfs/dbraw/zinc/13/70/46/270137046.db2.gz NDCHLIMPFADZQO-KRWDZBQOSA-N 2 1 288.435 3.192 20 0 CGADMP CCOc1cccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527807169 270137047 /nfs/dbraw/zinc/13/70/47/270137047.db2.gz NDCHLIMPFADZQO-KRWDZBQOSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527923769 270144600 /nfs/dbraw/zinc/14/46/00/270144600.db2.gz GGUROCLLAXLTSM-SUMWQHHRSA-N 2 1 264.457 3.133 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000527961367 270147057 /nfs/dbraw/zinc/14/70/57/270147057.db2.gz AMNNXXMCDDPVHA-SFHVURJKSA-N 2 1 287.451 3.385 20 0 CGADMP CC1(C)CC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000528427401 270165022 /nfs/dbraw/zinc/16/50/22/270165022.db2.gz YSZQASORLABZGQ-DOTOQJQBSA-N 2 1 276.468 3.371 20 0 CGADMP CC1(C)CC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000528427401 270165023 /nfs/dbraw/zinc/16/50/23/270165023.db2.gz YSZQASORLABZGQ-DOTOQJQBSA-N 2 1 276.468 3.371 20 0 CGADMP CC1(C)CC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000528427401 270165024 /nfs/dbraw/zinc/16/50/24/270165024.db2.gz YSZQASORLABZGQ-DOTOQJQBSA-N 2 1 276.468 3.371 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[NH+]1CCCC1 ZINC000529534806 270183061 /nfs/dbraw/zinc/18/30/61/270183061.db2.gz QGDWKBGLGYMSIN-GXTWGEPZSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530226276 270196992 /nfs/dbraw/zinc/19/69/92/270196992.db2.gz ZGCMTZVCAUIPJD-IRXDYDNUSA-N 2 1 270.420 3.320 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1 ZINC000530244514 270197262 /nfs/dbraw/zinc/19/72/62/270197262.db2.gz MARZHHCSYPCOMF-WFASDCNBSA-N 2 1 278.827 3.318 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530244538 270197296 /nfs/dbraw/zinc/19/72/96/270197296.db2.gz MCABPEKXLQRESV-KRWDZBQOSA-N 2 1 272.436 3.227 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000531682949 270208552 /nfs/dbraw/zinc/20/85/52/270208552.db2.gz WHCDOLIBAIEVNM-AEFFLSMTSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423470254 273721568 /nfs/dbraw/zinc/72/15/68/273721568.db2.gz PCAIMMAYYZTFGW-WBVHZDCISA-N 2 1 288.435 3.106 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000132228682 274141822 /nfs/dbraw/zinc/14/18/22/274141822.db2.gz HCZZDDZMSMVNOU-DZGCQCFKSA-N 2 1 284.403 3.018 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCc2c(Br)cccc21)[C@H](C)[NH3+] ZINC000423451368 274256955 /nfs/dbraw/zinc/25/69/55/274256955.db2.gz UUMXMPMHIYLIDQ-IMSIIYSGSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cccc32)CC[N@@H+]1C ZINC000453233312 274394255 /nfs/dbraw/zinc/39/42/55/274394255.db2.gz KBXAIXSCWMOFRL-IGCXYCKISA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cccc32)CC[N@H+]1C ZINC000453233312 274394258 /nfs/dbraw/zinc/39/42/58/274394258.db2.gz KBXAIXSCWMOFRL-IGCXYCKISA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@]1(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCC[NH2+]C1 ZINC000423351995 274451139 /nfs/dbraw/zinc/45/11/39/274451139.db2.gz ZXFPUAUEQIIMLN-MLGOLLRUSA-N 2 1 298.352 3.071 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338691682 274509973 /nfs/dbraw/zinc/50/99/73/274509973.db2.gz XTLWFUSFUKKPNY-ZOCIIQOWSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423052389 274528776 /nfs/dbraw/zinc/52/87/76/274528776.db2.gz QLXIQBCANKKJOG-DHSIGJKJSA-N 2 1 297.402 3.065 20 0 CGADMP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335566512 274880391 /nfs/dbraw/zinc/88/03/91/274880391.db2.gz CHCFEYYCPVOIDL-CQSZACIVSA-N 2 1 285.218 3.322 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCc2ccccc2CC1)C1CCCCC1 ZINC000423267971 274950688 /nfs/dbraw/zinc/95/06/88/274950688.db2.gz UJKMAGDTCIEHSU-IBGZPJMESA-N 2 1 286.463 3.431 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000423401102 274957743 /nfs/dbraw/zinc/95/77/43/274957743.db2.gz VUFVUQRBGGOMIX-RYRKJORJSA-N 2 1 299.393 3.170 20 0 CGADMP C([NH2+][C@@H](C1CC1)C1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000453089010 275394897 /nfs/dbraw/zinc/39/48/97/275394897.db2.gz QNMWPHRRKKQOMK-SUMWQHHRSA-N 2 1 262.441 3.029 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984729 275396163 /nfs/dbraw/zinc/39/61/63/275396163.db2.gz IBJXDJQTGZUZBO-YESZJQIVSA-N 2 1 292.467 3.085 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000469330099 276018534 /nfs/dbraw/zinc/01/85/34/276018534.db2.gz OVPHNQMRMPBMCZ-NZSAHSFTSA-N 2 1 288.479 3.431 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000508193379 276096090 /nfs/dbraw/zinc/09/60/90/276096090.db2.gz IMXHTGYJUKKYKO-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000341702803 276151871 /nfs/dbraw/zinc/15/18/71/276151871.db2.gz LFJBQKIMDIPORW-IYOUNJFTSA-N 2 1 288.435 3.014 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000443641526 276180694 /nfs/dbraw/zinc/18/06/94/276180694.db2.gz LUGXOCPNQXBULI-YVSFHVDLSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000443641526 276180696 /nfs/dbraw/zinc/18/06/96/276180696.db2.gz LUGXOCPNQXBULI-YVSFHVDLSA-N 2 1 262.441 3.195 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000085129347 276397711 /nfs/dbraw/zinc/39/77/11/276397711.db2.gz CNUPZQPIQLNKAS-FRRDWIJNSA-N 2 1 278.362 3.039 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000422774027 276638271 /nfs/dbraw/zinc/63/82/71/276638271.db2.gz ZTOIZONFAPHGJX-OZVIIMIRSA-N 2 1 282.378 3.394 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000181007266 277031824 /nfs/dbraw/zinc/03/18/24/277031824.db2.gz ROIJSRLMIQZEEG-SJORKVTESA-N 2 1 272.436 3.253 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSC3CCCCC3)CC[C@H]21 ZINC000500118944 277083395 /nfs/dbraw/zinc/08/33/95/277083395.db2.gz UGXJIRNTQBBNSK-DOTOQJQBSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSC3CCCCC3)CC[C@H]21 ZINC000500118944 277083397 /nfs/dbraw/zinc/08/33/97/277083397.db2.gz UGXJIRNTQBBNSK-DOTOQJQBSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSC3CCCCC3)CC[C@H]21 ZINC000500118944 277083398 /nfs/dbraw/zinc/08/33/98/277083398.db2.gz UGXJIRNTQBBNSK-DOTOQJQBSA-N 2 1 296.524 3.468 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC000429514828 277188822 /nfs/dbraw/zinc/18/88/22/277188822.db2.gz MOJUHFPKBILPSP-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CS1 ZINC000365194149 277244750 /nfs/dbraw/zinc/24/47/50/277244750.db2.gz CDIHMSYVFLJZLA-XQLPTFJDSA-N 2 1 282.497 3.123 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]12 ZINC000394601807 288002497 /nfs/dbraw/zinc/00/24/97/288002497.db2.gz DJYRTJKYANBICM-BZUAXINKSA-N 2 1 250.430 3.016 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000449777905 278219591 /nfs/dbraw/zinc/21/95/91/278219591.db2.gz ABDFUKPPCXESLB-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000449777905 278219596 /nfs/dbraw/zinc/21/95/96/278219596.db2.gz ABDFUKPPCXESLB-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)c1ccccc1 ZINC000397425121 288023792 /nfs/dbraw/zinc/02/37/92/288023792.db2.gz XBCVCYFDWCYFMI-HWMZRRJGSA-N 2 1 260.425 3.095 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1C[NH3+] ZINC000397433442 288023825 /nfs/dbraw/zinc/02/38/25/288023825.db2.gz FVGSUSOSJLCBMH-FMKPAKJESA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1C[NH3+] ZINC000397433442 288023827 /nfs/dbraw/zinc/02/38/27/288023827.db2.gz FVGSUSOSJLCBMH-FMKPAKJESA-N 2 1 299.418 3.147 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423286306 278629143 /nfs/dbraw/zinc/62/91/43/278629143.db2.gz GNGRKLMRYNBSOS-MRXNPFEDSA-N 2 1 288.435 3.106 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422903347 288062655 /nfs/dbraw/zinc/06/26/55/288062655.db2.gz OIHJOHJJZOFVNQ-MSOLQXFVSA-N 2 1 282.387 3.320 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453107199 288075700 /nfs/dbraw/zinc/07/57/00/288075700.db2.gz KNKSJMRHNMWSRO-GUYCJALGSA-N 2 1 275.440 3.386 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)C[C@H]1c1ccccc1 ZINC000340446215 288076604 /nfs/dbraw/zinc/07/66/04/288076604.db2.gz YSVPUPHPRUPKPV-LAVFITLUSA-N 2 1 272.436 3.110 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459596448 288099663 /nfs/dbraw/zinc/09/96/63/288099663.db2.gz USRIQCMTOQHQEU-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459596448 288099665 /nfs/dbraw/zinc/09/96/65/288099665.db2.gz USRIQCMTOQHQEU-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1 ZINC000459596448 288099666 /nfs/dbraw/zinc/09/96/66/288099666.db2.gz USRIQCMTOQHQEU-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000366964246 279094019 /nfs/dbraw/zinc/09/40/19/279094019.db2.gz SPLCCFLUZJYVHD-KSZLIROESA-N 2 1 296.499 3.124 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000423323630 279297931 /nfs/dbraw/zinc/29/79/31/279297931.db2.gz JWXYIHJTSDCIQU-PBHICJAKSA-N 2 1 260.425 3.115 20 0 CGADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000414830699 279348868 /nfs/dbraw/zinc/34/88/68/279348868.db2.gz BJVCNSOGYTYQJY-PBHICJAKSA-N 2 1 260.425 3.287 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000526119449 288150159 /nfs/dbraw/zinc/15/01/59/288150159.db2.gz HQPLXKVKGKBBQT-AWEZNQCLSA-N 2 1 266.404 3.251 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000526119449 288150161 /nfs/dbraw/zinc/15/01/61/288150161.db2.gz HQPLXKVKGKBBQT-AWEZNQCLSA-N 2 1 266.404 3.251 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527681214 288187952 /nfs/dbraw/zinc/18/79/52/288187952.db2.gz MHWVNLBNTCLXCS-LMSBXDPUSA-N 2 1 278.484 3.379 20 0 CGADMP CCS[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459416559 280056963 /nfs/dbraw/zinc/05/69/63/280056963.db2.gz CJZFQRUXEMNHKR-HOTGVXAUSA-N 2 1 282.497 3.267 20 0 CGADMP CC[C@@H](C1CCCCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423516337 280134527 /nfs/dbraw/zinc/13/45/27/280134527.db2.gz WOOYUHIKSFHPQA-VNQPRFMTSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414651355 280173499 /nfs/dbraw/zinc/17/34/99/280173499.db2.gz CFQJJOBJSLTYNJ-HCXYKTFWSA-N 2 1 284.447 3.323 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414651355 280173502 /nfs/dbraw/zinc/17/35/02/280173502.db2.gz CFQJJOBJSLTYNJ-HCXYKTFWSA-N 2 1 284.447 3.323 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000414768420 280174022 /nfs/dbraw/zinc/17/40/22/280174022.db2.gz VAPPQUXJLDEGAI-GBESFXJTSA-N 2 1 284.447 3.182 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+]1CCCC1 ZINC000314301069 280255840 /nfs/dbraw/zinc/25/58/40/280255840.db2.gz YXAZADWYKITAJE-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CC2 ZINC000423459668 280309242 /nfs/dbraw/zinc/30/92/42/280309242.db2.gz IGEJQFAUVOKBMU-GBIKHYSHSA-N 2 1 297.240 3.070 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000443433047 281039251 /nfs/dbraw/zinc/03/92/51/281039251.db2.gz UUMCCZLKEDVHTI-CABCVRRESA-N 2 1 281.403 3.004 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178891 288295988 /nfs/dbraw/zinc/29/59/88/288295988.db2.gz SOXCPNOBEGJIEV-DOMZBBRYSA-N 2 1 278.827 3.145 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@H](c4[nH+]ccn4C)C3)c2c1 ZINC000354564601 281170312 /nfs/dbraw/zinc/17/03/12/281170312.db2.gz ANXYGZCUBDDNLE-AWEZNQCLSA-N 2 1 292.386 3.271 20 0 CGADMP Cc1ccc2[nH+]ccc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2c1 ZINC000443511671 281170816 /nfs/dbraw/zinc/17/08/16/281170816.db2.gz QSXCYOJNAQNARF-KGLIPLIRSA-N 2 1 269.392 3.072 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407440 288305581 /nfs/dbraw/zinc/30/55/81/288305581.db2.gz YNGAIPIARPRAOK-LLVKDONJSA-N 2 1 292.452 3.202 20 0 CGADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000530407471 288305744 /nfs/dbraw/zinc/30/57/44/288305744.db2.gz LGJKTVKLJBBVDK-INIZCTEOSA-N 2 1 293.361 3.228 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453403271 281272536 /nfs/dbraw/zinc/27/25/36/281272536.db2.gz OCMAYJOEGKSUFH-GOSISDBHSA-N 2 1 272.436 3.446 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249161650 281292085 /nfs/dbraw/zinc/29/20/85/281292085.db2.gz ZYUZDWCXZGYSNX-YALNPMBYSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249161650 281292090 /nfs/dbraw/zinc/29/20/90/281292090.db2.gz ZYUZDWCXZGYSNX-YALNPMBYSA-N 2 1 288.435 3.137 20 0 CGADMP CN(CCc1c(F)cccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000531340091 288334634 /nfs/dbraw/zinc/33/46/34/288334634.db2.gz WSOYVVXJYUEPGU-ZDUSSCGKSA-N 2 1 298.833 3.295 20 0 CGADMP C[NH+](CCc1c(F)cccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000531340091 288334637 /nfs/dbraw/zinc/33/46/37/288334637.db2.gz WSOYVVXJYUEPGU-ZDUSSCGKSA-N 2 1 298.833 3.295 20 0 CGADMP C[NH+](CCc1c(F)cccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000531340091 288334638 /nfs/dbraw/zinc/33/46/38/288334638.db2.gz WSOYVVXJYUEPGU-ZDUSSCGKSA-N 2 1 298.833 3.295 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000538716317 288583439 /nfs/dbraw/zinc/58/34/39/288583439.db2.gz CSGOWODDIIPGMY-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)C2CCC2)o1 ZINC000541741997 288717917 /nfs/dbraw/zinc/71/79/17/288717917.db2.gz OKQFZVPWNISALC-INIZCTEOSA-N 2 1 273.380 3.224 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)([NH+](C)C)C1 ZINC000548885344 289028063 /nfs/dbraw/zinc/02/80/63/289028063.db2.gz XWQSMKUVNDMPDX-ZHCJQAHYSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548885390 289028127 /nfs/dbraw/zinc/02/81/27/289028127.db2.gz VLCAPEQMTSEVEZ-MWDXBVQZSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000551006297 289094631 /nfs/dbraw/zinc/09/46/31/289094631.db2.gz OXKLQEOCWZXFJK-HZPDHXFCSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000551006297 289094634 /nfs/dbraw/zinc/09/46/34/289094634.db2.gz OXKLQEOCWZXFJK-HZPDHXFCSA-N 2 1 260.425 3.458 20 0 CGADMP CCC1CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000551521084 289119373 /nfs/dbraw/zinc/11/93/73/289119373.db2.gz XLLCUAXVIXBKDK-NXYGQSRBSA-N 2 1 272.436 3.287 20 0 CGADMP CCC1CC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000551535571 289121053 /nfs/dbraw/zinc/12/10/53/289121053.db2.gz ZTEJFYJAURTLSR-PRLABOORSA-N 2 1 252.446 3.275 20 0 CGADMP CCC1CC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000551535570 289121077 /nfs/dbraw/zinc/12/10/77/289121077.db2.gz ZTEJFYJAURTLSR-LMPOIIKSSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000552062651 289157507 /nfs/dbraw/zinc/15/75/07/289157507.db2.gz BSIVTDUEMYRWLK-XHSDSOJGSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CC4)[C@H]3C2)cc1 ZINC000552235473 289173657 /nfs/dbraw/zinc/17/36/57/289173657.db2.gz IPNSSTNUWWSWHV-WDSOQIARSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000556202419 289377031 /nfs/dbraw/zinc/37/70/31/289377031.db2.gz NKQALHNTGVAYRD-ODVANORSSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000556202419 289377034 /nfs/dbraw/zinc/37/70/34/289377034.db2.gz NKQALHNTGVAYRD-ODVANORSSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000556262218 289383205 /nfs/dbraw/zinc/38/32/05/289383205.db2.gz WXZMGIKWRSQVDK-BGTYHANMSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000556262218 289383208 /nfs/dbraw/zinc/38/32/08/289383208.db2.gz WXZMGIKWRSQVDK-BGTYHANMSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CCCC[C@H]1C ZINC000423495861 290035559 /nfs/dbraw/zinc/03/55/59/290035559.db2.gz CZBMPYMLQOJEJV-BFJAYTPKSA-N 2 1 252.446 3.308 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261664940 290224643 /nfs/dbraw/zinc/22/46/43/290224643.db2.gz KYDPUGIHRFAMHL-ZLDLUXBVSA-N 2 1 298.352 3.450 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000424325699 290225521 /nfs/dbraw/zinc/22/55/21/290225521.db2.gz OHLJBSNYEKQWRX-AVEIZBFRSA-N 2 1 288.410 3.086 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000424325699 290225525 /nfs/dbraw/zinc/22/55/25/290225525.db2.gz OHLJBSNYEKQWRX-AVEIZBFRSA-N 2 1 288.410 3.086 20 0 CGADMP [NH3+]CCOCC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000357075419 295234860 /nfs/dbraw/zinc/23/48/60/295234860.db2.gz HRCNRJQYEXNZES-INIZCTEOSA-N 2 1 296.842 3.232 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCC1)CCCS2 ZINC000423328667 295273959 /nfs/dbraw/zinc/27/39/59/295273959.db2.gz OCEPJAHSKHRTJB-CQSZACIVSA-N 2 1 292.448 3.093 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563810621 322011070 /nfs/dbraw/zinc/01/10/70/322011070.db2.gz JFSIOKQEBHTAMP-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563810621 322011072 /nfs/dbraw/zinc/01/10/72/322011072.db2.gz JFSIOKQEBHTAMP-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000564689986 322039092 /nfs/dbraw/zinc/03/90/92/322039092.db2.gz OGOOPUPZTOVLIU-TWMKSMIVSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000564689986 322039094 /nfs/dbraw/zinc/03/90/94/322039094.db2.gz OGOOPUPZTOVLIU-TWMKSMIVSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000564823133 322044792 /nfs/dbraw/zinc/04/47/92/322044792.db2.gz SGRBUTXRNJZENA-CQSZACIVSA-N 2 1 282.428 3.340 20 0 CGADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(C2CC2)c1 ZINC000564973460 322052192 /nfs/dbraw/zinc/05/21/92/322052192.db2.gz FGZCAJCMGRQTHT-GOSISDBHSA-N 2 1 270.420 3.140 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000565166626 322064536 /nfs/dbraw/zinc/06/45/36/322064536.db2.gz SHEOLGKYZMMNGR-HNNXBMFYSA-N 2 1 275.421 3.155 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000565508401 322080344 /nfs/dbraw/zinc/08/03/44/322080344.db2.gz SZTQYYFPOQMULT-KBAYOESNSA-N 2 1 278.484 3.476 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000565950917 322097975 /nfs/dbraw/zinc/09/79/75/322097975.db2.gz MUSXJFHMKGWJJB-QZTJIDSGSA-N 2 1 274.452 3.248 20 0 CGADMP CC(C)N1CCCC[C@@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566384728 322119804 /nfs/dbraw/zinc/11/98/04/322119804.db2.gz ZVNVNOLSDUDIRV-OWCLPIDISA-N 2 1 252.446 3.227 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000567724005 322174707 /nfs/dbraw/zinc/17/47/07/322174707.db2.gz NUHUOANEBDLDND-LSDHHAIUSA-N 2 1 258.365 3.182 20 0 CGADMP Cc1ccc2ccnc(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000567750187 322176000 /nfs/dbraw/zinc/17/60/00/322176000.db2.gz LKNBAJKQLSTOKT-CQSZACIVSA-N 2 1 281.403 3.439 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000567750187 322176001 /nfs/dbraw/zinc/17/60/01/322176001.db2.gz LKNBAJKQLSTOKT-CQSZACIVSA-N 2 1 281.403 3.439 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000567750187 322176003 /nfs/dbraw/zinc/17/60/03/322176003.db2.gz LKNBAJKQLSTOKT-CQSZACIVSA-N 2 1 281.403 3.439 20 0 CGADMP Cc1cnc(CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC000567761661 322176682 /nfs/dbraw/zinc/17/66/82/322176682.db2.gz MFCCKPYIAKMGAU-KRWDZBQOSA-N 2 1 289.467 3.047 20 0 CGADMP Cc1cnc(CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC000567761661 322176685 /nfs/dbraw/zinc/17/66/85/322176685.db2.gz MFCCKPYIAKMGAU-KRWDZBQOSA-N 2 1 289.467 3.047 20 0 CGADMP Cc1cnc(CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000567761661 322176688 /nfs/dbraw/zinc/17/66/88/322176688.db2.gz MFCCKPYIAKMGAU-KRWDZBQOSA-N 2 1 289.467 3.047 20 0 CGADMP Cc1cnc(CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000567761661 322176689 /nfs/dbraw/zinc/17/66/89/322176689.db2.gz MFCCKPYIAKMGAU-KRWDZBQOSA-N 2 1 289.467 3.047 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2ccccc21 ZINC000569592328 322251540 /nfs/dbraw/zinc/25/15/40/322251540.db2.gz ASEWMGODVRAQGX-HKUYNNGSSA-N 2 1 293.414 3.279 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000569863161 322259127 /nfs/dbraw/zinc/25/91/27/322259127.db2.gz MDXFMZLZEYVEKB-MAUKXSAKSA-N 2 1 298.430 3.420 20 0 CGADMP Cc1cc(C[NH2+]CC2([NH3+])CCCCC2)c(C)s1 ZINC000569940006 322261156 /nfs/dbraw/zinc/26/11/56/322261156.db2.gz IPLPFMVRZKINSY-UHFFFAOYSA-N 2 1 252.427 3.116 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000570199959 322267640 /nfs/dbraw/zinc/26/76/40/322267640.db2.gz KPGBPDDQVVLMJK-FMPTWSOUSA-N 2 1 288.435 3.413 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000571246408 322293882 /nfs/dbraw/zinc/29/38/82/322293882.db2.gz IKEMMBHMHOPEPR-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000571246408 322293883 /nfs/dbraw/zinc/29/38/83/322293883.db2.gz IKEMMBHMHOPEPR-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000571246408 322293885 /nfs/dbraw/zinc/29/38/85/322293885.db2.gz IKEMMBHMHOPEPR-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP CCSCC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571335710 322296099 /nfs/dbraw/zinc/29/60/99/322296099.db2.gz COARJPSGVWHBPS-CQSZACIVSA-N 2 1 292.492 3.296 20 0 CGADMP C[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759359 322307065 /nfs/dbraw/zinc/30/70/65/322307065.db2.gz MPIDCSOBAQRCRN-QGZVFWFLSA-N 2 1 290.451 3.008 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)s1 ZINC000572026492 322316275 /nfs/dbraw/zinc/31/62/75/322316275.db2.gz NCDUQJKQPTZUOZ-LLVKDONJSA-N 2 1 269.458 3.053 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000573077741 322369086 /nfs/dbraw/zinc/36/90/86/322369086.db2.gz YPPAJXVCCCEIBE-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000573249123 322377407 /nfs/dbraw/zinc/37/74/07/322377407.db2.gz VUGPYQWZUWWQJR-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](O)C[NH2+]CC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000573558752 322394568 /nfs/dbraw/zinc/39/45/68/322394568.db2.gz ZMNBYKBPAWTBTK-WBVHZDCISA-N 2 1 292.467 3.257 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000573649084 322399118 /nfs/dbraw/zinc/39/91/18/322399118.db2.gz WSYYBWVEVGTWNQ-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000573649084 322399120 /nfs/dbraw/zinc/39/91/20/322399120.db2.gz WSYYBWVEVGTWNQ-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP Clc1ccc(C[NH2+]CCC[NH+]2CCC2)c2ncccc12 ZINC000583033524 329305517 /nfs/dbraw/zinc/30/55/17/329305517.db2.gz DVKVSPYEAOKSAL-UHFFFAOYSA-N 2 1 289.810 3.074 20 0 CGADMP CC[C@@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)C1CC1 ZINC000163533169 334869834 /nfs/dbraw/zinc/86/98/34/334869834.db2.gz BNFQARCWEYEJRJ-MRXNPFEDSA-N 2 1 273.424 3.137 20 0 CGADMP C[NH2+]CCC1CCN(c2[nH+]ccc3c(C)cccc32)CC1 ZINC000576466329 335207645 /nfs/dbraw/zinc/20/76/45/335207645.db2.gz OZWBLMDRNFEWBJ-UHFFFAOYSA-N 2 1 283.419 3.369 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577493185 335358929 /nfs/dbraw/zinc/35/89/29/335358929.db2.gz WPGFIKGTRQNDCT-ZIAGYGMSSA-N 2 1 269.392 3.343 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC(C(C)C)C(C)C)CC1 ZINC000581086837 336007080 /nfs/dbraw/zinc/00/70/80/336007080.db2.gz ZKVPGEVBLADBKF-UHFFFAOYSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC(C(C)C)C(C)C)CC1 ZINC000581086837 336007081 /nfs/dbraw/zinc/00/70/81/336007081.db2.gz ZKVPGEVBLADBKF-UHFFFAOYSA-N 2 1 254.462 3.331 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000581370671 336062987 /nfs/dbraw/zinc/06/29/87/336062987.db2.gz UUFAJHZNNSESGA-GOSISDBHSA-N 2 1 272.436 3.386 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000382289815 336085444 /nfs/dbraw/zinc/08/54/44/336085444.db2.gz HGLWYUMZVMCOJB-OOHWJJMZSA-N 2 1 260.425 3.251 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000382289815 336085446 /nfs/dbraw/zinc/08/54/46/336085446.db2.gz HGLWYUMZVMCOJB-OOHWJJMZSA-N 2 1 260.425 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000385108942 336138869 /nfs/dbraw/zinc/13/88/69/336138869.db2.gz COPCDSFKALDWLN-IPYPFGDCSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000385874570 336158531 /nfs/dbraw/zinc/15/85/31/336158531.db2.gz ZLRGGSYMTKABSS-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000385874570 336158532 /nfs/dbraw/zinc/15/85/32/336158532.db2.gz ZLRGGSYMTKABSS-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1)CC1CC[NH2+]CC1 ZINC000094012230 519656176 /nfs/dbraw/zinc/65/61/76/519656176.db2.gz FXJUCNPORWCCGO-UHFFFAOYSA-N 2 1 264.388 3.036 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423472200 533811394 /nfs/dbraw/zinc/81/13/94/533811394.db2.gz HVMMPENVRVETDD-VXGBXAGGSA-N 2 1 262.388 3.036 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1C(F)(F)F ZINC000423322385 533835669 /nfs/dbraw/zinc/83/56/69/533835669.db2.gz IINQLAAUTUPAGB-JTQLQIEISA-N 2 1 272.314 3.237 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(OC(F)(F)F)c1 ZINC000423325815 533836645 /nfs/dbraw/zinc/83/66/45/533836645.db2.gz LUJOKONUZZDQBU-JTQLQIEISA-N 2 1 288.313 3.117 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423319545 533885211 /nfs/dbraw/zinc/88/52/11/533885211.db2.gz DLHGTCMLIWKTBV-WBMJQRKESA-N 2 1 296.842 3.389 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423317572 533889207 /nfs/dbraw/zinc/88/92/07/533889207.db2.gz BULJVTSFIRCMRI-GUYCJALGSA-N 2 1 272.392 3.473 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423325260 533890900 /nfs/dbraw/zinc/89/09/00/533890900.db2.gz JHRCQIVOIUJTMS-NHYWBVRUSA-N 2 1 268.351 3.005 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@H](C)C3)oc21 ZINC000423380210 533912459 /nfs/dbraw/zinc/91/24/59/533912459.db2.gz NJKZJHCSRKKYDW-MBNYWOFBSA-N 2 1 288.391 3.233 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)c1c[nH+]ccc1N ZINC000423192284 533984650 /nfs/dbraw/zinc/98/46/50/533984650.db2.gz UJCMFZNWVIVLQC-NJZAAPMLSA-N 2 1 261.413 3.360 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000339413741 519815280 /nfs/dbraw/zinc/81/52/80/519815280.db2.gz OCYSYRBXLGTFDA-IRXDYDNUSA-N 2 1 260.425 3.097 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)C1CCCC1 ZINC000423516867 534674979 /nfs/dbraw/zinc/67/49/79/534674979.db2.gz YFKPGGCNGIDXQY-VMWRSERWSA-N 2 1 294.483 3.364 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C)c1cncc(F)c1)[NH+]1CCCCC1 ZINC000184497437 524197491 /nfs/dbraw/zinc/19/74/91/524197491.db2.gz VJAYEDQIZPBWRW-KGLIPLIRSA-N 2 1 279.403 3.136 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000088163826 525299106 /nfs/dbraw/zinc/29/91/06/525299106.db2.gz CMMADHOUCNTDDQ-RJCAOGMDSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000088163826 525299118 /nfs/dbraw/zinc/29/91/18/525299118.db2.gz CMMADHOUCNTDDQ-RJCAOGMDSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000061362760 525364174 /nfs/dbraw/zinc/36/41/74/525364174.db2.gz NBRDVRRGTFNMNV-GXTWGEPZSA-N 2 1 252.427 3.273 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000061362760 525364181 /nfs/dbraw/zinc/36/41/81/525364181.db2.gz NBRDVRRGTFNMNV-GXTWGEPZSA-N 2 1 252.427 3.273 20 0 CGADMP Cc1ccsc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163865 525857859 /nfs/dbraw/zinc/85/78/59/525857859.db2.gz XJDWZLKAIPHLJF-AGUYFDCRSA-N 2 1 264.438 3.161 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000187958008 527448075 /nfs/dbraw/zinc/44/80/75/527448075.db2.gz XOYXJKICQZGDJQ-ZIAGYGMSSA-N 2 1 289.398 3.188 20 0 CGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCOC1 ZINC000437606885 527480579 /nfs/dbraw/zinc/48/05/79/527480579.db2.gz VREFKVZKSZFIMV-ZWKOTPCHSA-N 2 1 294.483 3.001 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000436468734 527628824 /nfs/dbraw/zinc/62/88/24/527628824.db2.gz FZXZRUCXTDCCOC-NEXFUWMNSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000436468734 527628831 /nfs/dbraw/zinc/62/88/31/527628831.db2.gz FZXZRUCXTDCCOC-NEXFUWMNSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccoc2)c1 ZINC000449133141 527846208 /nfs/dbraw/zinc/84/62/08/527846208.db2.gz XFTURXAJJVEVIP-OAHLLOKOSA-N 2 1 286.419 3.452 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000436469062 528062556 /nfs/dbraw/zinc/06/25/56/528062556.db2.gz UYCBGGSGCLPWQM-CXUOOODFSA-N 2 1 284.447 3.323 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000436469062 528062558 /nfs/dbraw/zinc/06/25/58/528062558.db2.gz UYCBGGSGCLPWQM-CXUOOODFSA-N 2 1 284.447 3.323 20 0 CGADMP CC1CC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436278514 528163292 /nfs/dbraw/zinc/16/32/92/528163292.db2.gz ANUCWEVLICABLS-XUJLQICISA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)CSCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365406594 528212091 /nfs/dbraw/zinc/21/20/91/528212091.db2.gz WJFPSQKXNSDNKJ-HNNXBMFYSA-N 2 1 272.502 3.182 20 0 CGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)CC1 ZINC000365868569 528253977 /nfs/dbraw/zinc/25/39/77/528253977.db2.gz BPZWOGUZFJYTLL-IAGOWNOFSA-N 2 1 296.524 3.183 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423268284 528311076 /nfs/dbraw/zinc/31/10/76/528311076.db2.gz URLSGGJBZQYFJA-HIFRSBDPSA-N 2 1 274.408 3.327 20 0 CGADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423234921 528490042 /nfs/dbraw/zinc/49/00/42/528490042.db2.gz MQFBHQNXHSFZPW-GOEBONIOSA-N 2 1 278.465 3.145 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423477637 528493397 /nfs/dbraw/zinc/49/33/97/528493397.db2.gz MKTKZNSUXDSUIJ-JKSUJKDBSA-N 2 1 296.405 3.088 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000423272141 528520078 /nfs/dbraw/zinc/52/00/78/528520078.db2.gz YRUWTWHJDJAWFQ-YESZJQIVSA-N 2 1 260.425 3.286 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423272823 528520175 /nfs/dbraw/zinc/52/01/75/528520175.db2.gz ZLFODGHRVFJURH-WCQYABFASA-N 2 1 277.437 3.320 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422712981 528681454 /nfs/dbraw/zinc/68/14/54/528681454.db2.gz JGBDMFASXANWMY-BFHYXJOUSA-N 2 1 261.413 3.360 20 0 CGADMP CCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359134705 528693485 /nfs/dbraw/zinc/69/34/85/528693485.db2.gz JGZSZTUNWXSZJK-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359134705 528693492 /nfs/dbraw/zinc/69/34/92/528693492.db2.gz JGZSZTUNWXSZJK-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)[NH+](C)C ZINC000424257152 528856525 /nfs/dbraw/zinc/85/65/25/528856525.db2.gz AZBWACFYPUNSTD-TZNCUMHOSA-N 2 1 296.499 3.146 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000423291706 528952762 /nfs/dbraw/zinc/95/27/62/528952762.db2.gz JOHKRJLMDVVELA-CYBMUJFWSA-N 2 1 294.439 3.180 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423301674 528957325 /nfs/dbraw/zinc/95/73/25/528957325.db2.gz UKZJHVNNSXPWBF-DGCLKSJQSA-N 2 1 286.366 3.456 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1 ZINC000423420555 529019636 /nfs/dbraw/zinc/01/96/36/529019636.db2.gz BNVRSZFUMMHUTM-BARDWOONSA-N 2 1 298.352 3.354 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000437756483 529051655 /nfs/dbraw/zinc/05/16/55/529051655.db2.gz GYNHPMSUMBPGBO-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000437756483 529051660 /nfs/dbraw/zinc/05/16/60/529051660.db2.gz GYNHPMSUMBPGBO-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449105459 529052151 /nfs/dbraw/zinc/05/21/51/529052151.db2.gz IAJVRBXNCGKCSQ-KBPBESRZSA-N 2 1 296.405 3.390 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449108330 529085212 /nfs/dbraw/zinc/08/52/12/529085212.db2.gz ULMGNONPNXIIFR-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1F ZINC000423523285 529161897 /nfs/dbraw/zinc/16/18/97/529161897.db2.gz IDPWEORPEYFCAC-OAHLLOKOSA-N 2 1 268.351 3.148 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)cn1 ZINC000352682602 529175268 /nfs/dbraw/zinc/17/52/68/529175268.db2.gz FVWUUSUDORFJOM-GOEBONIOSA-N 2 1 293.430 3.382 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)cn1 ZINC000352682602 529175269 /nfs/dbraw/zinc/17/52/69/529175269.db2.gz FVWUUSUDORFJOM-GOEBONIOSA-N 2 1 293.430 3.382 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359219740 529238472 /nfs/dbraw/zinc/23/84/72/529238472.db2.gz VSMOPDDXIHOCIM-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C[NH2+]C1CCC(CSC)CC1)[NH+]1CCCC1 ZINC000449075234 529360697 /nfs/dbraw/zinc/36/06/97/529360697.db2.gz MJTUTGLLHCDPDG-UYSNPLJNSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)CC(F)(F)F ZINC000414261845 529369614 /nfs/dbraw/zinc/36/96/14/529369614.db2.gz IXVYDCWBUWELKE-FRRDWIJNSA-N 2 1 280.378 3.285 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000263778511 535154026 /nfs/dbraw/zinc/15/40/26/535154026.db2.gz YEPRWZGWUSCBRT-UHFFFAOYSA-N 2 1 264.388 3.130 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000263778511 535154034 /nfs/dbraw/zinc/15/40/34/535154034.db2.gz YEPRWZGWUSCBRT-UHFFFAOYSA-N 2 1 264.388 3.130 20 0 CGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000469968502 536181882 /nfs/dbraw/zinc/18/18/82/536181882.db2.gz BSNDXDAFFSRAKY-INIZCTEOSA-N 2 1 290.426 3.032 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000469968502 536181887 /nfs/dbraw/zinc/18/18/87/536181887.db2.gz BSNDXDAFFSRAKY-INIZCTEOSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000469968502 536181891 /nfs/dbraw/zinc/18/18/91/536181891.db2.gz BSNDXDAFFSRAKY-INIZCTEOSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000469968502 536181894 /nfs/dbraw/zinc/18/18/94/536181894.db2.gz BSNDXDAFFSRAKY-INIZCTEOSA-N 2 1 290.426 3.032 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360111 536353810 /nfs/dbraw/zinc/35/38/10/536353810.db2.gz DMQIQMISAZTFEF-WKULXVSPSA-N 2 1 274.452 3.005 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360111 536353812 /nfs/dbraw/zinc/35/38/12/536353812.db2.gz DMQIQMISAZTFEF-WKULXVSPSA-N 2 1 274.452 3.005 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360111 536353816 /nfs/dbraw/zinc/35/38/16/536353816.db2.gz DMQIQMISAZTFEF-WKULXVSPSA-N 2 1 274.452 3.005 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000740898484 572467603 /nfs/dbraw/zinc/46/76/03/572467603.db2.gz VOBLQXOFLDBCOF-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000306892515 572811591 /nfs/dbraw/zinc/81/15/91/572811591.db2.gz HEQQEWCNAHYJMB-KRWDZBQOSA-N 2 1 267.376 3.076 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166421334 572815477 /nfs/dbraw/zinc/81/54/77/572815477.db2.gz DPDUWLTZBJKGPE-LSDHHAIUSA-N 2 1 290.426 3.320 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473106 572872727 /nfs/dbraw/zinc/87/27/27/572872727.db2.gz URQUSOZIEIRQRJ-FUHWJXTLSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473106 572872730 /nfs/dbraw/zinc/87/27/30/572872730.db2.gz URQUSOZIEIRQRJ-FUHWJXTLSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473106 572872734 /nfs/dbraw/zinc/87/27/34/572872734.db2.gz URQUSOZIEIRQRJ-FUHWJXTLSA-N 2 1 290.451 3.036 20 0 CGADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248543 618083353 /nfs/dbraw/zinc/08/33/53/618083353.db2.gz KKBRXHARGUWCRA-HNNXBMFYSA-N 2 1 274.452 3.382 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(CSC)cc2)C1 ZINC000892144722 618557803 /nfs/dbraw/zinc/55/78/03/618557803.db2.gz PLUKDSHSNAXGSS-KRWDZBQOSA-N 2 1 292.492 3.323 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CSC)cc2)C1 ZINC000892144722 618557808 /nfs/dbraw/zinc/55/78/08/618557808.db2.gz PLUKDSHSNAXGSS-KRWDZBQOSA-N 2 1 292.492 3.323 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CSC)cc2)C1 ZINC000892144722 618557818 /nfs/dbraw/zinc/55/78/18/618557818.db2.gz PLUKDSHSNAXGSS-KRWDZBQOSA-N 2 1 292.492 3.323 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CSC)cc2)C1 ZINC000892144722 618557824 /nfs/dbraw/zinc/55/78/24/618557824.db2.gz PLUKDSHSNAXGSS-KRWDZBQOSA-N 2 1 292.492 3.323 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CSC)cc2)C1 ZINC000892144722 618557830 /nfs/dbraw/zinc/55/78/30/618557830.db2.gz PLUKDSHSNAXGSS-KRWDZBQOSA-N 2 1 292.492 3.323 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262144640 618649856 /nfs/dbraw/zinc/64/98/56/618649856.db2.gz ZKVPMUIHFGKVBS-UHFFFAOYSA-N 2 1 286.463 3.428 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C/C=C/Cl)CC1 ZINC000052209088 618700867 /nfs/dbraw/zinc/70/08/67/618700867.db2.gz NZZZMHFKILMQQO-VMPITWQZSA-N 2 1 258.837 3.183 20 0 CGADMP CCc1ncc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)o1 ZINC000926538243 618729856 /nfs/dbraw/zinc/72/98/56/618729856.db2.gz RXSACWMMWKMJKG-CYBMUJFWSA-N 2 1 287.407 3.149 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000250767695 618743993 /nfs/dbraw/zinc/74/39/93/618743993.db2.gz SZCATPNXYOXTFN-USXIJHARSA-N 2 1 294.389 3.365 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H](c1ccccn1)C1CCC1)C1CC1 ZINC000926560986 618744073 /nfs/dbraw/zinc/74/40/73/618744073.db2.gz VLLUGMFOGCAHJY-SFHVURJKSA-N 2 1 287.451 3.387 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@H]1[NH3+] ZINC000251915378 618744935 /nfs/dbraw/zinc/74/49/35/618744935.db2.gz XNGHVLRPDLMGCD-BXUZGUMPSA-N 2 1 260.406 3.070 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000924571457 618854041 /nfs/dbraw/zinc/85/40/41/618854041.db2.gz VSUJPXHUOLSFDS-UHFFFAOYSA-N 2 1 290.476 3.384 20 0 CGADMP CCc1onc(C)c1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000892585901 618867605 /nfs/dbraw/zinc/86/76/05/618867605.db2.gz YVCBZQREUJDTPX-AWEZNQCLSA-N 2 1 293.455 3.290 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cnc1F ZINC000892584557 618867797 /nfs/dbraw/zinc/86/77/97/618867797.db2.gz MCQANZDIQWQTPM-AWEZNQCLSA-N 2 1 293.430 3.131 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924577333 618870618 /nfs/dbraw/zinc/87/06/18/618870618.db2.gz JCGMBMFHYCQTSR-CQSZACIVSA-N 2 1 290.455 3.133 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1CCC(OC)CC1 ZINC000892947498 618960471 /nfs/dbraw/zinc/96/04/71/618960471.db2.gz FCPAPRVHKWKJDR-AQFXKWCLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC1CCC(OC)CC1 ZINC000892947498 618960472 /nfs/dbraw/zinc/96/04/72/618960472.db2.gz FCPAPRVHKWKJDR-AQFXKWCLSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000925630808 619097616 /nfs/dbraw/zinc/09/76/16/619097616.db2.gz UAKYLSQYONRIRZ-FZMZJTMJSA-N 2 1 268.351 3.242 20 0 CGADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000925682867 619131360 /nfs/dbraw/zinc/13/13/60/619131360.db2.gz GXJZEQXQOPONRF-MVJTYMMSSA-N 2 1 290.451 3.116 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000313459206 619173151 /nfs/dbraw/zinc/17/31/51/619173151.db2.gz UROOZMFLRKEXIV-HNNXBMFYSA-N 2 1 283.419 3.055 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261652200 619298825 /nfs/dbraw/zinc/29/88/25/619298825.db2.gz BCCLBRCPVBKJSM-WCQYABFASA-N 2 1 286.341 3.183 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1coc2ccccc12 ZINC000924871821 619378893 /nfs/dbraw/zinc/37/88/93/619378893.db2.gz GSIPNEAVEMRUTD-GFCCVEGCSA-N 2 1 269.348 3.289 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000925029189 619500644 /nfs/dbraw/zinc/50/06/44/619500644.db2.gz KELXISUFYKPHMB-TWMKSMIVSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000925029189 619500648 /nfs/dbraw/zinc/50/06/48/619500648.db2.gz KELXISUFYKPHMB-TWMKSMIVSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000261990387 619512158 /nfs/dbraw/zinc/51/21/58/619512158.db2.gz KEERUSDZZASUIQ-UHFFFAOYSA-N 2 1 272.436 3.187 20 0 CGADMP CC(C)C(C(C)C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000925063983 619517504 /nfs/dbraw/zinc/51/75/04/619517504.db2.gz WWZIRLIMSXEZKN-OAHLLOKOSA-N 2 1 284.488 3.004 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000894456813 619543975 /nfs/dbraw/zinc/54/39/75/619543975.db2.gz REVJVYYABYTSCV-WBVHZDCISA-N 2 1 272.436 3.036 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494170 619555870 /nfs/dbraw/zinc/55/58/70/619555870.db2.gz CVXLFFLITWFEHD-ZHALLVOQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494170 619555876 /nfs/dbraw/zinc/55/58/76/619555876.db2.gz CVXLFFLITWFEHD-ZHALLVOQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494170 619555881 /nfs/dbraw/zinc/55/58/81/619555881.db2.gz CVXLFFLITWFEHD-ZHALLVOQSA-N 2 1 284.447 3.133 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1nccc2ccccc21 ZINC000894782382 619634274 /nfs/dbraw/zinc/63/42/74/619634274.db2.gz KWLZRGACAQKVLG-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1nccc2ccccc21 ZINC000894782382 619634281 /nfs/dbraw/zinc/63/42/81/619634281.db2.gz KWLZRGACAQKVLG-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1nccc2ccccc21 ZINC000894782382 619634286 /nfs/dbraw/zinc/63/42/86/619634286.db2.gz KWLZRGACAQKVLG-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1nccc2ccccc21 ZINC000894782382 619634291 /nfs/dbraw/zinc/63/42/91/619634291.db2.gz KWLZRGACAQKVLG-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895312783 619802035 /nfs/dbraw/zinc/80/20/35/619802035.db2.gz WBBDGMNRLDVJOV-OOKSDGMUSA-N 2 1 290.426 3.362 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895312782 619802281 /nfs/dbraw/zinc/80/22/81/619802281.db2.gz WBBDGMNRLDVJOV-CSNJMZFVSA-N 2 1 290.426 3.362 20 0 CGADMP CSC1(C[N@@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000895682205 619872237 /nfs/dbraw/zinc/87/22/37/619872237.db2.gz CZBARPUSIJPPTD-UHFFFAOYSA-N 2 1 270.486 3.080 20 0 CGADMP CC1(O)CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000895838922 619891412 /nfs/dbraw/zinc/89/14/12/619891412.db2.gz AMSTVRIMWZXBJI-IIIMJFFVSA-N 2 1 294.483 3.067 20 0 CGADMP CC1(O)CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000895838922 619891416 /nfs/dbraw/zinc/89/14/16/619891416.db2.gz AMSTVRIMWZXBJI-IIIMJFFVSA-N 2 1 294.483 3.067 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC000262434029 620120443 /nfs/dbraw/zinc/12/04/43/620120443.db2.gz GDNZWABLPREREP-IBGZPJMESA-N 2 1 296.414 3.034 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000019905679 620142178 /nfs/dbraw/zinc/14/21/78/620142178.db2.gz PEPUWLRHMPAAHD-UHFFFAOYSA-N 2 1 288.357 3.383 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1C[C@@H]1C ZINC000840715926 620164989 /nfs/dbraw/zinc/16/49/89/620164989.db2.gz UFWVBLHFCFSQEE-RCBQFDQVSA-N 2 1 284.407 3.100 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144500 620180054 /nfs/dbraw/zinc/18/00/54/620180054.db2.gz UAWSVWOFQNMASN-KEYYUXOJSA-N 2 1 290.451 3.047 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144500 620180056 /nfs/dbraw/zinc/18/00/56/620180056.db2.gz UAWSVWOFQNMASN-KEYYUXOJSA-N 2 1 290.451 3.047 20 0 CGADMP CSc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054339 620290141 /nfs/dbraw/zinc/29/01/41/620290141.db2.gz VQXLLCAANDZQEA-UHFFFAOYSA-N 2 1 276.449 3.125 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224193956 620354626 /nfs/dbraw/zinc/35/46/26/620354626.db2.gz ZAGVLGYQAQXOBZ-KGLIPLIRSA-N 2 1 254.377 3.181 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000924647400 620555402 /nfs/dbraw/zinc/55/54/02/620555402.db2.gz JLPFMPWIAKYSBI-RHSMWYFYSA-N 2 1 270.420 3.056 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC000924706863 620569341 /nfs/dbraw/zinc/56/93/41/620569341.db2.gz RFXUGVGVVMDTBM-UQPPLGOBSA-N 2 1 290.476 3.241 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000237505452 620581109 /nfs/dbraw/zinc/58/11/09/620581109.db2.gz LPBQXOZTLLLWFB-OKILXGFUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000237505452 620581111 /nfs/dbraw/zinc/58/11/11/620581111.db2.gz LPBQXOZTLLLWFB-OKILXGFUSA-N 2 1 252.446 3.275 20 0 CGADMP CNc1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000902067616 621136039 /nfs/dbraw/zinc/13/60/39/621136039.db2.gz ZFWIFZKBEYYNJJ-INIZCTEOSA-N 2 1 289.467 3.330 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)C1 ZINC000902375486 621280303 /nfs/dbraw/zinc/28/03/03/621280303.db2.gz CRTLBYUWGRYBPG-WFASDCNBSA-N 2 1 292.398 3.017 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)C1 ZINC000902446394 621314840 /nfs/dbraw/zinc/31/48/40/621314840.db2.gz SWWSQHSVIWKKNZ-OWCLPIDISA-N 2 1 287.451 3.004 20 0 CGADMP COc1ccccc1[C@H]([NH2+]CC1([NH3+])CC1)C1CCCC1 ZINC000902413976 621323371 /nfs/dbraw/zinc/32/33/71/621323371.db2.gz QKZRENMRKOMHOM-MRXNPFEDSA-N 2 1 274.408 3.007 20 0 CGADMP Clc1cccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)c1 ZINC000902462360 621337179 /nfs/dbraw/zinc/33/71/79/621337179.db2.gz VEWBLJQSFZCXJP-ZZTPXLKCSA-N 2 1 290.838 3.459 20 0 CGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466010 621338796 /nfs/dbraw/zinc/33/87/96/621338796.db2.gz IEFUSJRPSRCQHH-BSLXNSKLSA-N 2 1 298.352 3.119 20 0 CGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470216 621341282 /nfs/dbraw/zinc/34/12/82/621341282.db2.gz UULSLXNHCIBODX-OBCWZRDOSA-N 2 1 298.352 3.119 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903056238 621545612 /nfs/dbraw/zinc/54/56/12/621545612.db2.gz SCUDSGZRWVYYTO-PNFOFYCQSA-N 2 1 270.420 3.495 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000903073814 621569995 /nfs/dbraw/zinc/56/99/95/621569995.db2.gz QNRRWZAVQUQAQO-GGGWTEGZSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147719 621610347 /nfs/dbraw/zinc/61/03/47/621610347.db2.gz MULQKCVOURPMFD-INSJMTBZSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC(F)(F)F ZINC000903186595 621627285 /nfs/dbraw/zinc/62/72/85/621627285.db2.gz SAYYAMAEGPPKLR-CRMUJIHISA-N 2 1 290.373 3.322 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903383707 621724642 /nfs/dbraw/zinc/72/46/42/621724642.db2.gz NXCULCPWQYIQLD-GDBMZVCRSA-N 2 1 263.429 3.099 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426766 621741817 /nfs/dbraw/zinc/74/18/17/621741817.db2.gz NLCSAARQLAMLMN-MNOVXSKESA-N 2 1 272.845 3.079 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426766 621741821 /nfs/dbraw/zinc/74/18/21/621741821.db2.gz NLCSAARQLAMLMN-MNOVXSKESA-N 2 1 272.845 3.079 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439022 621748282 /nfs/dbraw/zinc/74/82/82/621748282.db2.gz BLIQPITTWGSIJW-VWPFQQQWSA-N 2 1 276.399 3.064 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(C3CCCCC3)CC2)CC[N@@H+]1C ZINC000903447783 621759535 /nfs/dbraw/zinc/75/95/35/621759535.db2.gz CKNZOQWBLPRROM-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(C3CCCCC3)CC2)CC[N@H+]1C ZINC000903447783 621759540 /nfs/dbraw/zinc/75/95/40/621759540.db2.gz CKNZOQWBLPRROM-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903723565 621797123 /nfs/dbraw/zinc/79/71/23/621797123.db2.gz IOOIAMFBECXLKJ-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903723565 621797125 /nfs/dbraw/zinc/79/71/25/621797125.db2.gz IOOIAMFBECXLKJ-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903749955 621799898 /nfs/dbraw/zinc/79/98/98/621799898.db2.gz SVZDMWPNMLFMCP-WMZOPIPTSA-N 2 1 290.426 3.368 20 0 CGADMP CC1(C)CCC(C)(C)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769813 621803680 /nfs/dbraw/zinc/80/36/80/621803680.db2.gz OONOFOYOZHOSKO-HNNXBMFYSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000903789611 621808900 /nfs/dbraw/zinc/80/89/00/621808900.db2.gz YMULHRNYTMSDNT-CHWSQXEVSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000903789613 621809125 /nfs/dbraw/zinc/80/91/25/621809125.db2.gz YMULHRNYTMSDNT-QWHCGFSZSA-N 2 1 266.816 3.065 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCC2CCC2)CCC1 ZINC000903811244 621814133 /nfs/dbraw/zinc/81/41/33/621814133.db2.gz KHJDTLZTKUZVGH-HNNXBMFYSA-N 2 1 250.430 3.160 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000903891780 621823965 /nfs/dbraw/zinc/82/39/65/621823965.db2.gz CUQAUMWRNGUOIF-HZPDHXFCSA-N 2 1 296.405 3.456 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000903891780 621823969 /nfs/dbraw/zinc/82/39/69/621823969.db2.gz CUQAUMWRNGUOIF-HZPDHXFCSA-N 2 1 296.405 3.456 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903894874 621828549 /nfs/dbraw/zinc/82/85/49/621828549.db2.gz GXYFTKPBQFUYKZ-FVPDABNVSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000903953656 621842234 /nfs/dbraw/zinc/84/22/34/621842234.db2.gz IHBXCZVYGACFTA-XQQFMLRXSA-N 2 1 278.362 3.024 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000903953656 621842236 /nfs/dbraw/zinc/84/22/36/621842236.db2.gz IHBXCZVYGACFTA-XQQFMLRXSA-N 2 1 278.362 3.024 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCc2ccccc2)C2CCCC2)C1 ZINC000904316071 621903768 /nfs/dbraw/zinc/90/37/68/621903768.db2.gz IZBFAAGMHGEWNS-CALCHBBNSA-N 2 1 272.436 3.211 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1C ZINC000904324047 621906635 /nfs/dbraw/zinc/90/66/35/621906635.db2.gz SVRASDSJTRLKKR-HLLBOEOZSA-N 2 1 258.409 3.178 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)C1 ZINC000904342484 621909693 /nfs/dbraw/zinc/90/96/93/621909693.db2.gz IQRJRIZVICWURI-GUTXKFCHSA-N 2 1 285.391 3.092 20 0 CGADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904345555 621910653 /nfs/dbraw/zinc/91/06/53/621910653.db2.gz KCOAGKGCPRMTTB-QZTJIDSGSA-N 2 1 272.436 3.174 20 0 CGADMP CC[N@H+](Cc1ccccc1Br)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350363 621910942 /nfs/dbraw/zinc/91/09/42/621910942.db2.gz JQVGUDCMKFFWMB-BJHJDKERSA-N 2 1 297.240 3.008 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904404779 621918353 /nfs/dbraw/zinc/91/83/53/621918353.db2.gz FRBZHWGPAAWOCL-LBPRGKRZSA-N 2 1 266.816 3.073 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CC[C@H]1C[NH3+] ZINC000904410483 621919100 /nfs/dbraw/zinc/91/91/00/621919100.db2.gz FXXOVPYCMUMYLO-JSGCOSHPSA-N 2 1 293.480 3.217 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000904429430 621920135 /nfs/dbraw/zinc/92/01/35/621920135.db2.gz HOYZPQZOQMXJKX-BZSNNMDCSA-N 2 1 270.420 3.008 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000904429430 621920143 /nfs/dbraw/zinc/92/01/43/621920143.db2.gz HOYZPQZOQMXJKX-BZSNNMDCSA-N 2 1 270.420 3.008 20 0 CGADMP C[C@H](C[NH2+]Cc1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000057994318 622895904 /nfs/dbraw/zinc/89/59/04/622895904.db2.gz DICDQHUDHDZYJY-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000168629097 623009168 /nfs/dbraw/zinc/00/91/68/623009168.db2.gz GYAOZZIJCRZYKQ-DGCLKSJQSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000168629097 623009174 /nfs/dbraw/zinc/00/91/74/623009174.db2.gz GYAOZZIJCRZYKQ-DGCLKSJQSA-N 2 1 289.810 3.057 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000230730543 623266054 /nfs/dbraw/zinc/26/60/54/623266054.db2.gz QKYUFILVMBRECG-SJLPKXTDSA-N 2 1 292.467 3.162 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261556100 624814855 /nfs/dbraw/zinc/81/48/55/624814855.db2.gz BWMSTBLLTNQIIA-DZGBDDFRSA-N 2 1 264.800 3.070 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC000086889051 626129810 /nfs/dbraw/zinc/12/98/10/626129810.db2.gz AXNWILQCCNDEMQ-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC[C@H]1C[NH3+] ZINC000923492238 626157641 /nfs/dbraw/zinc/15/76/41/626157641.db2.gz APZXREZXOPVYIA-BFQNTYOBSA-N 2 1 278.827 3.244 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492210 626157815 /nfs/dbraw/zinc/15/78/15/626157815.db2.gz AIMYUILXXZARGC-DYEKYZERSA-N 2 1 266.816 3.318 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493202 626158755 /nfs/dbraw/zinc/15/87/55/626158755.db2.gz FKNGCPLETGMWBO-HOCLYGCPSA-N 2 1 290.451 3.235 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000020088817 634481008 /nfs/dbraw/zinc/48/10/08/634481008.db2.gz FPUGQZCQJBGNJJ-CYBMUJFWSA-N 2 1 266.454 3.411 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000838914052 626277095 /nfs/dbraw/zinc/27/70/95/626277095.db2.gz YRMZJGMJSBOWQN-UHFFFAOYSA-N 2 1 275.440 3.301 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762650218 627119043 /nfs/dbraw/zinc/11/90/43/627119043.db2.gz QAMOGISHJNZONU-IAGOWNOFSA-N 2 1 284.488 3.436 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762650218 627119046 /nfs/dbraw/zinc/11/90/46/627119046.db2.gz QAMOGISHJNZONU-IAGOWNOFSA-N 2 1 284.488 3.436 20 0 CGADMP CSc1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774198874 627960986 /nfs/dbraw/zinc/96/09/86/627960986.db2.gz BWCARNKXPWITEP-GOOCMWNKSA-N 2 1 294.439 3.262 20 0 CGADMP CSc1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774198874 627960989 /nfs/dbraw/zinc/96/09/89/627960989.db2.gz BWCARNKXPWITEP-GOOCMWNKSA-N 2 1 294.439 3.262 20 0 CGADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000781415587 628558683 /nfs/dbraw/zinc/55/86/83/628558683.db2.gz BPMSYDGWOPZHIJ-JSGCOSHPSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000781415587 628558686 /nfs/dbraw/zinc/55/86/86/628558686.db2.gz BPMSYDGWOPZHIJ-JSGCOSHPSA-N 2 1 293.480 3.194 20 0 CGADMP C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781415602 628558811 /nfs/dbraw/zinc/55/88/11/628558811.db2.gz BZSXZPCGUREBIU-UKRRQHHQSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781415602 628558814 /nfs/dbraw/zinc/55/88/14/628558814.db2.gz BZSXZPCGUREBIU-UKRRQHHQSA-N 2 1 262.397 3.022 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000782185584 628622263 /nfs/dbraw/zinc/62/22/63/628622263.db2.gz YZHOIMKEAXFVGK-MRXNPFEDSA-N 2 1 274.452 3.200 20 0 CGADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CCCCCOc1ccccc1 ZINC000783655361 628735745 /nfs/dbraw/zinc/73/57/45/628735745.db2.gz KQOVDCBUIWYHJD-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP C[C@H]1CCC[N@H+]1CC[NH2+]CCCCCOc1ccccc1 ZINC000783655361 628735747 /nfs/dbraw/zinc/73/57/47/628735747.db2.gz KQOVDCBUIWYHJD-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788475059 629057214 /nfs/dbraw/zinc/05/72/14/629057214.db2.gz PCAQPGRELPMWID-OAHLLOKOSA-N 2 1 278.465 3.399 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000788482963 629057830 /nfs/dbraw/zinc/05/78/30/629057830.db2.gz ZTSNDRZNSSSHTR-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)(C[NH2+]Cc1cnc2ccccc2c1)C[NH+]1CCCC1 ZINC000791011079 629249623 /nfs/dbraw/zinc/24/96/23/629249623.db2.gz MYHGXYAUZXCGPO-UHFFFAOYSA-N 2 1 297.446 3.446 20 0 CGADMP C[N@@H+](Cc1ccc(CF)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796462167 629784924 /nfs/dbraw/zinc/78/49/24/629784924.db2.gz XFVNEFMQZKLRRS-SJPCQFCGSA-N 2 1 276.399 3.213 20 0 CGADMP C[NH+](Cc1ccc(CF)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796462167 629784928 /nfs/dbraw/zinc/78/49/28/629784928.db2.gz XFVNEFMQZKLRRS-SJPCQFCGSA-N 2 1 276.399 3.213 20 0 CGADMP C[NH+](Cc1ccc(CF)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796462167 629784940 /nfs/dbraw/zinc/78/49/40/629784940.db2.gz XFVNEFMQZKLRRS-SJPCQFCGSA-N 2 1 276.399 3.213 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000797602468 629969415 /nfs/dbraw/zinc/96/94/15/629969415.db2.gz LUMNJAGHRUAYIF-UHFFFAOYSA-N 2 1 292.814 3.118 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002358 630014130 /nfs/dbraw/zinc/01/41/30/630014130.db2.gz FOEALSUJTIPETN-FVQBIDKESA-N 2 1 250.430 3.172 20 0 CGADMP COC1(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CCCCC1 ZINC000798956673 630128355 /nfs/dbraw/zinc/12/83/55/630128355.db2.gz JQYPEBHUGWESQX-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP FC(F)(F)c1c[nH+]ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000865448671 630129139 /nfs/dbraw/zinc/12/91/39/630129139.db2.gz LKGOWZVEKVSDPC-LBPRGKRZSA-N 2 1 299.340 3.165 20 0 CGADMP Cc1nc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)sc1C ZINC000799176774 630153076 /nfs/dbraw/zinc/15/30/76/630153076.db2.gz DHTDZJOGQLWEKT-UHFFFAOYSA-N 2 1 293.480 3.068 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806127686 630545298 /nfs/dbraw/zinc/54/52/98/630545298.db2.gz IXQNHUZXOQFBEN-CQSZACIVSA-N 2 1 293.842 3.186 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000817888411 632228858 /nfs/dbraw/zinc/22/88/58/632228858.db2.gz LINOHRWKXUWDCM-SJORKVTESA-N 2 1 276.424 3.223 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817906921 632233073 /nfs/dbraw/zinc/23/30/73/632233073.db2.gz HADWDQKBCUGPMM-RTBURBONSA-N 2 1 296.414 3.498 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])CCC2 ZINC000817921777 632234992 /nfs/dbraw/zinc/23/49/92/632234992.db2.gz IGOZJQKCFZEEJU-SGMGOOAPSA-N 2 1 279.453 3.079 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc2c(c1)CCCO2 ZINC000817958390 632253171 /nfs/dbraw/zinc/25/31/71/632253171.db2.gz JFPQNCCJRRRFMP-HOTGVXAUSA-N 2 1 276.424 3.036 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1Cl ZINC000817965665 632260046 /nfs/dbraw/zinc/26/00/46/632260046.db2.gz SXDGRLPXHPSEKM-QMTHXVAHSA-N 2 1 282.815 3.045 20 0 CGADMP CCCCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000817978259 632270476 /nfs/dbraw/zinc/27/04/76/632270476.db2.gz ZNTLADSWLAMEPZ-TWMKSMIVSA-N 2 1 258.409 3.115 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCCC[C@H]1CCCO)C1CCCCC1 ZINC000820808349 632680169 /nfs/dbraw/zinc/68/01/69/632680169.db2.gz DLATZRUZNHJNGN-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCCC[C@H]1CCCO)C1CCCCC1 ZINC000820808349 632680172 /nfs/dbraw/zinc/68/01/72/632680172.db2.gz DLATZRUZNHJNGN-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)CC[C@@H]1CCCC[NH+]1C ZINC000822640511 632995674 /nfs/dbraw/zinc/99/56/74/632995674.db2.gz ZXXMPRNADVTWIJ-STQMWFEESA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000822640511 632995683 /nfs/dbraw/zinc/99/56/83/632995683.db2.gz ZXXMPRNADVTWIJ-STQMWFEESA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)CC[C@@H]1CCCC[N@H+]1C ZINC000822640511 632995699 /nfs/dbraw/zinc/99/56/99/632995699.db2.gz ZXXMPRNADVTWIJ-STQMWFEESA-N 2 1 293.282 3.377 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822751164 633016290 /nfs/dbraw/zinc/01/62/90/633016290.db2.gz UFTIJOXNMVWMGA-AGIUHOORSA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822751164 633016296 /nfs/dbraw/zinc/01/62/96/633016296.db2.gz UFTIJOXNMVWMGA-AGIUHOORSA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822751164 633016298 /nfs/dbraw/zinc/01/62/98/633016298.db2.gz UFTIJOXNMVWMGA-AGIUHOORSA-N 2 1 293.282 3.232 20 0 CGADMP C[NH+](C)CCC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823419116 633101944 /nfs/dbraw/zinc/10/19/44/633101944.db2.gz RWRXUQQGBGXIME-UHFFFAOYSA-N 2 1 299.821 3.038 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])nc1Cl ZINC000866669300 633229630 /nfs/dbraw/zinc/22/96/30/633229630.db2.gz WZXJKDIUNAHZEU-IUODEOHRSA-N 2 1 295.858 3.383 20 0 CGADMP CO[C@H](C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccccc1 ZINC000866706435 633234204 /nfs/dbraw/zinc/23/42/04/633234204.db2.gz BPKJBLMIGPTRPS-AEFFLSMTSA-N 2 1 290.451 3.071 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000866708996 633235848 /nfs/dbraw/zinc/23/58/48/633235848.db2.gz UJAUQRDHZYHRQS-CYBMUJFWSA-N 2 1 280.378 3.416 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)CC ZINC000872019150 633939668 /nfs/dbraw/zinc/93/96/68/633939668.db2.gz TUOKIMDZHQVOIH-HNNXBMFYSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872040574 633962132 /nfs/dbraw/zinc/96/21/32/633962132.db2.gz ZGHJEVSPWQGFCT-LBPRGKRZSA-N 2 1 291.370 3.167 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2C=CCC2)[C@H](C)C1 ZINC000872105807 634027693 /nfs/dbraw/zinc/02/76/93/634027693.db2.gz BZIFWROKBWODDM-PMPSAXMXSA-N 2 1 250.430 3.053 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000846218112 636161241 /nfs/dbraw/zinc/16/12/41/636161241.db2.gz JFSZRZWYKWHPST-MRXNPFEDSA-N 2 1 264.388 3.482 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@@H]1C(F)(F)F ZINC000872152522 634066142 /nfs/dbraw/zinc/06/61/42/634066142.db2.gz SPILGFUHXYCKFJ-OLZOCXBDSA-N 2 1 278.362 3.026 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000873223593 634291089 /nfs/dbraw/zinc/29/10/89/634291089.db2.gz OPXZRCYNFUEKEU-LJQANCHMSA-N 2 1 297.446 3.432 20 0 CGADMP CCC(CC)(C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000873246743 634298934 /nfs/dbraw/zinc/29/89/34/634298934.db2.gz AIEMCGQIXNESQH-NWDGAFQWSA-N 2 1 280.378 3.475 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876897893 634924066 /nfs/dbraw/zinc/92/40/66/634924066.db2.gz HVRGOVBFIFOHCU-UHFFFAOYSA-N 2 1 295.839 3.134 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000840808129 635055263 /nfs/dbraw/zinc/05/52/63/635055263.db2.gz IORSFTREPMCHAA-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000877528904 635073647 /nfs/dbraw/zinc/07/36/47/635073647.db2.gz NSOOMCOFBKFIDL-HNNXBMFYSA-N 2 1 284.513 3.182 20 0 CGADMP CSC(C)(C)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000877527995 635074065 /nfs/dbraw/zinc/07/40/65/635074065.db2.gz QIZIKYMTYIARCN-UHFFFAOYSA-N 2 1 269.458 3.045 20 0 CGADMP CSC(C)(C)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000877527995 635074070 /nfs/dbraw/zinc/07/40/70/635074070.db2.gz QIZIKYMTYIARCN-UHFFFAOYSA-N 2 1 269.458 3.045 20 0 CGADMP CCCCn1nc(C)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1Cl ZINC000841054999 635115224 /nfs/dbraw/zinc/11/52/24/635115224.db2.gz KBIFAWFWVDJLDA-STQMWFEESA-N 2 1 298.862 3.005 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CSC3)CC[N@H+]2C2CC2)cc1 ZINC000877633545 635124246 /nfs/dbraw/zinc/12/42/46/635124246.db2.gz APNGRSIDWGOQRE-RHSMWYFYSA-N 2 1 288.460 3.060 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CSC3)CC[N@@H+]2C2CC2)cc1 ZINC000877633545 635124250 /nfs/dbraw/zinc/12/42/50/635124250.db2.gz APNGRSIDWGOQRE-RHSMWYFYSA-N 2 1 288.460 3.060 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@H](CC[N@H+]4C)C3)ccc2n1 ZINC000877738494 635173781 /nfs/dbraw/zinc/17/37/81/635173781.db2.gz BXZGAEUOAFESJI-IEBWSBKVSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)ccc2n1 ZINC000877738494 635173784 /nfs/dbraw/zinc/17/37/84/635173784.db2.gz BXZGAEUOAFESJI-IEBWSBKVSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)ccc2n1 ZINC000877738494 635173786 /nfs/dbraw/zinc/17/37/86/635173786.db2.gz BXZGAEUOAFESJI-IEBWSBKVSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)ccc2n1 ZINC000877738494 635173788 /nfs/dbraw/zinc/17/37/88/635173788.db2.gz BXZGAEUOAFESJI-IEBWSBKVSA-N 2 1 295.430 3.069 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000877742702 635179187 /nfs/dbraw/zinc/17/91/87/635179187.db2.gz QROVEUFGRHNFNK-QMCVQRASSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000877742702 635179215 /nfs/dbraw/zinc/17/92/15/635179215.db2.gz QROVEUFGRHNFNK-QMCVQRASSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000877742702 635179220 /nfs/dbraw/zinc/17/92/20/635179220.db2.gz QROVEUFGRHNFNK-QMCVQRASSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000877742702 635179223 /nfs/dbraw/zinc/17/92/23/635179223.db2.gz QROVEUFGRHNFNK-QMCVQRASSA-N 2 1 262.441 3.005 20 0 CGADMP CC(C)C[N@H+](Cc1cncc(F)c1)CC1CC[NH+](C)CC1 ZINC000877767377 635193106 /nfs/dbraw/zinc/19/31/06/635193106.db2.gz GNECRTYAJLVCFS-UHFFFAOYSA-N 2 1 293.430 3.021 20 0 CGADMP C[C@@H]([NH2+]CCCC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412422 635496720 /nfs/dbraw/zinc/49/67/20/635496720.db2.gz VADIJNPDGXRMFM-GDBMZVCRSA-N 2 1 264.457 3.419 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000842900278 635509937 /nfs/dbraw/zinc/50/99/37/635509937.db2.gz APVJEQCLNDDECQ-SFHVURJKSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842925672 635512816 /nfs/dbraw/zinc/51/28/16/635512816.db2.gz ZZJIKRRPIHBWQB-XWSJACJDSA-N 2 1 286.463 3.356 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccc(Cl)nc1)CC1CCCC1 ZINC000843123521 635560614 /nfs/dbraw/zinc/56/06/14/635560614.db2.gz LKFMIDIPHMOMMF-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354690 635652116 /nfs/dbraw/zinc/65/21/16/635652116.db2.gz CJTZHFPBKLMYHU-UHFFFAOYSA-N 2 1 260.425 3.129 20 0 CGADMP C[NH2+]CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000843359079 635653568 /nfs/dbraw/zinc/65/35/68/635653568.db2.gz GSDXTYJZDADWJU-HUUCEWRRSA-N 2 1 296.480 3.026 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccc(Cl)cc1 ZINC000843362364 635653633 /nfs/dbraw/zinc/65/36/33/635653633.db2.gz YGIIDRJTUBTFGS-GOOCMWNKSA-N 2 1 294.826 3.063 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc2C1 ZINC000843358123 635654035 /nfs/dbraw/zinc/65/40/35/635654035.db2.gz CSONXTSIKDXQAE-LJQANCHMSA-N 2 1 286.463 3.256 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000879573475 635814375 /nfs/dbraw/zinc/81/43/75/635814375.db2.gz OPHCYQFFTPKKQO-VQTJNVASSA-N 2 1 294.442 3.408 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000879579047 635816578 /nfs/dbraw/zinc/81/65/78/635816578.db2.gz IWMSPFDDXIQJCU-ZHALLVOQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000879579047 635816580 /nfs/dbraw/zinc/81/65/80/635816580.db2.gz IWMSPFDDXIQJCU-ZHALLVOQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000879579047 635816587 /nfs/dbraw/zinc/81/65/87/635816587.db2.gz IWMSPFDDXIQJCU-ZHALLVOQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccnc1Cl ZINC000844923414 635984982 /nfs/dbraw/zinc/98/49/82/635984982.db2.gz GCVNTGLJWDTJSO-LBPRGKRZSA-N 2 1 289.810 3.305 20 0 CGADMP C[C@@H]1C[C@@H](Nc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000128834762 636079580 /nfs/dbraw/zinc/07/95/80/636079580.db2.gz VISLPKCKOGFFFO-ZBFHGGJFSA-N 2 1 273.424 3.181 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)C[C@@H]1CCOC1)C1CCCCC1 ZINC000846021628 636130586 /nfs/dbraw/zinc/13/05/86/636130586.db2.gz FFAYKHGHCPGQSH-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@@H+](CCCNCc1ccoc1)C1CCCCC1 ZINC000846021397 636130637 /nfs/dbraw/zinc/13/06/37/636130637.db2.gz ATTNWYZIAPYCED-UHFFFAOYSA-N 2 1 264.413 3.414 20 0 CGADMP [NH3+]C[C@H](Nc1cc[nH+]cc1Cl)C1CCCCC1 ZINC000130883785 636527253 /nfs/dbraw/zinc/52/72/53/636527253.db2.gz UJPVDDHDROYILR-ZDUSSCGKSA-N 2 1 253.777 3.055 20 0 CGADMP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883264940 636635057 /nfs/dbraw/zinc/63/50/57/636635057.db2.gz NWUNKOJFYZWYGR-MCIONIFRSA-N 2 1 272.383 3.028 20 0 CGADMP Cc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c(Cl)n1 ZINC000883292947 636655101 /nfs/dbraw/zinc/65/51/01/636655101.db2.gz DWGXQMUODRVXAN-CYBMUJFWSA-N 2 1 281.831 3.006 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1CCCSC1)[N@@H+](C)Cc1ccccc1 ZINC000131656247 636715325 /nfs/dbraw/zinc/71/53/25/636715325.db2.gz WJNNRNJBFAIZME-DOTOQJQBSA-N 2 1 292.492 3.382 20 0 CGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000849027873 636721714 /nfs/dbraw/zinc/72/17/14/636721714.db2.gz MYBVFJDESFKULW-INIZCTEOSA-N 2 1 288.439 3.114 20 0 CGADMP Cc1cc(C)cc(NC(=[NH2+])NCCCC[N@H+](C)C2CC2)c1 ZINC000849039732 636728089 /nfs/dbraw/zinc/72/80/89/636728089.db2.gz PKOYJEGABCZSAS-UHFFFAOYSA-N 2 1 288.439 3.114 20 0 CGADMP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C1CCC([NH3+])CC1 ZINC000883417590 636748292 /nfs/dbraw/zinc/74/82/92/636748292.db2.gz GLRLMRXWKWLTLA-FOIPXRHGSA-N 2 1 288.435 3.108 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)O1 ZINC000883429465 636754086 /nfs/dbraw/zinc/75/40/86/636754086.db2.gz WKNQSMBXJOANLH-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000883439392 636756456 /nfs/dbraw/zinc/75/64/56/636756456.db2.gz QAGQJNHSMBCETG-PBHICJAKSA-N 2 1 282.472 3.031 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000885979976 637341869 /nfs/dbraw/zinc/34/18/69/637341869.db2.gz QEOYGZBHAIUDGZ-KRWDZBQOSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000886000276 637351373 /nfs/dbraw/zinc/35/13/73/637351373.db2.gz ZIAOHKJNXZEYEO-FNORWQNLSA-N 2 1 287.382 3.414 20 0 CGADMP Cc1coc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000886151203 637437613 /nfs/dbraw/zinc/43/76/13/637437613.db2.gz DNCMCNKOKRVSQZ-AEFFLSMTSA-N 2 1 284.403 3.023 20 0 CGADMP Cc1coc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000886151203 637437618 /nfs/dbraw/zinc/43/76/18/637437618.db2.gz DNCMCNKOKRVSQZ-AEFFLSMTSA-N 2 1 284.403 3.023 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC1(C)C ZINC000886343440 637506978 /nfs/dbraw/zinc/50/69/78/637506978.db2.gz XSQVNSOZLQALIQ-RDJZCZTQSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617284 637609477 /nfs/dbraw/zinc/60/94/77/637609477.db2.gz JLRICEFSTKXBPC-IHRRRGAJSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617284 637609483 /nfs/dbraw/zinc/60/94/83/637609483.db2.gz JLRICEFSTKXBPC-IHRRRGAJSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617284 637609490 /nfs/dbraw/zinc/60/94/90/637609490.db2.gz JLRICEFSTKXBPC-IHRRRGAJSA-N 2 1 290.373 3.135 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3ccsc3)CC2)[nH+]c1C ZINC000886660693 637638919 /nfs/dbraw/zinc/63/89/19/637638919.db2.gz DBQYRYHOTPNHAL-UHFFFAOYSA-N 2 1 275.421 3.468 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)[nH+]c1C ZINC000886662439 637639001 /nfs/dbraw/zinc/63/90/01/637639001.db2.gz DNBHKQPJHWBCQK-IUODEOHRSA-N 2 1 291.439 3.021 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCC3CCOCC3)CC2)[nH+]c1C ZINC000886661063 637639626 /nfs/dbraw/zinc/63/96/26/637639626.db2.gz LIJSDOAWWXCIAM-UHFFFAOYSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@@H]3C=CCCC3)CC2)[nH+]c1C ZINC000886665967 637641172 /nfs/dbraw/zinc/64/11/72/637641172.db2.gz KEDRQYNLEOPSMY-OAHLLOKOSA-N 2 1 259.397 3.315 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000852755522 637706623 /nfs/dbraw/zinc/70/66/23/637706623.db2.gz RLOMXAYEVGHNKO-UHFFFAOYSA-N 2 1 271.408 3.045 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000223191551 637851953 /nfs/dbraw/zinc/85/19/53/637851953.db2.gz ALEUAPMPYMEGNW-KBPBESRZSA-N 2 1 266.404 3.077 20 0 CGADMP Fc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925498056 638240045 /nfs/dbraw/zinc/24/00/45/638240045.db2.gz BMLDXKZEICNRKM-NVXWUHKLSA-N 2 1 294.389 3.223 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000924566385 638364625 /nfs/dbraw/zinc/36/46/25/638364625.db2.gz XHFYUPCTRAWHKW-HNNXBMFYSA-N 2 1 275.440 3.243 20 0 CGADMP CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924618994 638378378 /nfs/dbraw/zinc/37/83/78/638378378.db2.gz CZBWTPYTYDQGKC-XWDNEUNKSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000924683686 638388830 /nfs/dbraw/zinc/38/88/30/638388830.db2.gz HIPKAZGMERCTTG-YVSFHVDLSA-N 2 1 296.499 3.005 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccnnc2)c1 ZINC000924829877 638409947 /nfs/dbraw/zinc/40/99/47/638409947.db2.gz TZPADBSXNPXKHW-HNNXBMFYSA-N 2 1 298.434 3.168 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000925588938 638538527 /nfs/dbraw/zinc/53/85/27/638538527.db2.gz TUUSIDDNOLNFRN-XJKSGUPXSA-N 2 1 293.455 3.310 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000925588938 638538531 /nfs/dbraw/zinc/53/85/31/638538531.db2.gz TUUSIDDNOLNFRN-XJKSGUPXSA-N 2 1 293.455 3.310 20 0 CGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000925586783 638538585 /nfs/dbraw/zinc/53/85/85/638538585.db2.gz FJSGIQVSEXSYOB-KSZLIROESA-N 2 1 298.515 3.274 20 0 CGADMP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925654275 638557974 /nfs/dbraw/zinc/55/79/74/638557974.db2.gz FRVKHSYHTADOGK-FVQBIDKESA-N 2 1 290.838 3.460 20 0 CGADMP CSC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCCCC1 ZINC000925776446 638607963 /nfs/dbraw/zinc/60/79/63/638607963.db2.gz GUYJQPAMJQGPBE-LBPRGKRZSA-N 2 1 279.453 3.211 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCCC1 ZINC000925793089 638616201 /nfs/dbraw/zinc/61/62/01/638616201.db2.gz HRZCJHLTQUODRQ-DLBZAZTESA-N 2 1 294.483 3.094 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000858090796 638624878 /nfs/dbraw/zinc/62/48/78/638624878.db2.gz REQKLSKEOSONIB-CQSZACIVSA-N 2 1 264.388 3.097 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000858090796 638624881 /nfs/dbraw/zinc/62/48/81/638624881.db2.gz REQKLSKEOSONIB-CQSZACIVSA-N 2 1 264.388 3.097 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842369 638630268 /nfs/dbraw/zinc/63/02/68/638630268.db2.gz MLKIWFYTHJVHJL-ZTFGCOKTSA-N 2 1 288.435 3.186 20 0 CGADMP CCC([NH2+]Cc1ncc(C[NH+](C)C)s1)(C1CC1)C1CC1 ZINC000858230125 638660725 /nfs/dbraw/zinc/66/07/25/638660725.db2.gz PCZRHFGPNQSKOP-UHFFFAOYSA-N 2 1 293.480 3.263 20 0 CGADMP C[NH+](C)Cc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000858402311 638704978 /nfs/dbraw/zinc/70/49/78/638704978.db2.gz YFWCXGPCAJZTPL-OAHLLOKOSA-N 2 1 293.430 3.172 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)CC1(C)C ZINC000858419878 638711620 /nfs/dbraw/zinc/71/16/20/638711620.db2.gz GBOSLHJCLCDKCH-HNNXBMFYSA-N 2 1 273.424 3.245 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)CC1(C)C ZINC000858419878 638711639 /nfs/dbraw/zinc/71/16/39/638711639.db2.gz GBOSLHJCLCDKCH-HNNXBMFYSA-N 2 1 273.424 3.245 20 0 CGADMP CSC1CC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000926118737 638711533 /nfs/dbraw/zinc/71/15/33/638711533.db2.gz BSURXEZMSHBUEX-ILGZHXLLSA-N 2 1 282.497 3.123 20 0 CGADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000926203516 638739089 /nfs/dbraw/zinc/73/90/89/638739089.db2.gz LJTVWJLYUXFCLO-LBPRGKRZSA-N 2 1 283.375 3.368 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(F)(F)c1ccccc1 ZINC000926665556 638796408 /nfs/dbraw/zinc/79/64/08/638796408.db2.gz HBJDDMXTKXEVMW-NFAWXSAZSA-N 2 1 282.378 3.097 20 0 CGADMP CCSc1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926923407 638825978 /nfs/dbraw/zinc/82/59/78/638825978.db2.gz PQVHYBIVQFPIMK-HOCLYGCPSA-N 2 1 292.492 3.413 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2CF)[C@@H](C)C1 ZINC000930001448 638967660 /nfs/dbraw/zinc/96/76/60/638967660.db2.gz VDNVOBYICUKWLI-WMLDXEAASA-N 2 1 278.415 3.318 20 0 CGADMP C[N@@H+](Cc1ccccc1CF)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460460 639003750 /nfs/dbraw/zinc/00/37/50/639003750.db2.gz OBLVRNIGHYESTI-SJPCQFCGSA-N 2 1 276.399 3.213 20 0 CGADMP C[NH+](Cc1ccccc1CF)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460460 639003755 /nfs/dbraw/zinc/00/37/55/639003755.db2.gz OBLVRNIGHYESTI-SJPCQFCGSA-N 2 1 276.399 3.213 20 0 CGADMP C[NH+](Cc1ccccc1CF)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460460 639003757 /nfs/dbraw/zinc/00/37/57/639003757.db2.gz OBLVRNIGHYESTI-SJPCQFCGSA-N 2 1 276.399 3.213 20 0 CGADMP C[C@H](C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000931311535 639132916 /nfs/dbraw/zinc/13/29/16/639132916.db2.gz RHUUJRJDSNMQBJ-KBAYOESNSA-N 2 1 272.436 3.064 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927094 639254786 /nfs/dbraw/zinc/25/47/86/639254786.db2.gz WQBDRYLLHLBIAQ-YTQUADARSA-N 2 1 295.430 3.088 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927094 639254801 /nfs/dbraw/zinc/25/48/01/639254801.db2.gz WQBDRYLLHLBIAQ-YTQUADARSA-N 2 1 295.430 3.088 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933739740 639484372 /nfs/dbraw/zinc/48/43/72/639484372.db2.gz BZTWHWRIIXGMLC-WBVHZDCISA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933739740 639484376 /nfs/dbraw/zinc/48/43/76/639484376.db2.gz BZTWHWRIIXGMLC-WBVHZDCISA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933739740 639484381 /nfs/dbraw/zinc/48/43/81/639484381.db2.gz BZTWHWRIIXGMLC-WBVHZDCISA-N 2 1 292.854 3.156 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000080226752 640456525 /nfs/dbraw/zinc/45/65/25/640456525.db2.gz DPXLJUNBVIOGDH-PRTUASRFSA-N 2 1 278.465 3.202 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091540819 640715498 /nfs/dbraw/zinc/71/54/98/640715498.db2.gz YKBWKWYDPFWBJS-ZOWXZIJZSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091540820 640715668 /nfs/dbraw/zinc/71/56/68/640715668.db2.gz YKBWKWYDPFWBJS-JMSVASOKSA-N 2 1 266.816 3.460 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2cccnc12)C1CCC([NH3+])CC1 ZINC000091846959 640724245 /nfs/dbraw/zinc/72/42/45/640724245.db2.gz VHEQWEOGUNVCED-UHFFFAOYSA-N 2 1 287.382 3.076 20 0 CGADMP C[N@@H+](Cc1coc(-c2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000091846552 640724565 /nfs/dbraw/zinc/72/45/65/640724565.db2.gz DJLGDCXIADQDMA-UHFFFAOYSA-N 2 1 285.391 3.043 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251361072 640825732 /nfs/dbraw/zinc/82/57/32/640825732.db2.gz DILRQBNBWXVFJZ-UYTSQGDYSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000415141711 640859863 /nfs/dbraw/zinc/85/98/63/640859863.db2.gz PVMGDGFALPDUPM-OAGGEKHMSA-N 2 1 250.430 3.031 20 0 CGADMP CC1(C)CC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC(C)(C)C1 ZINC000252776994 640862988 /nfs/dbraw/zinc/86/29/88/640862988.db2.gz OPAMUVKFHGRGLU-JKSUJKDBSA-N 2 1 294.483 3.044 20 0 CGADMP CC1(C)CC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC(C)(C)C1 ZINC000252776994 640862994 /nfs/dbraw/zinc/86/29/94/640862994.db2.gz OPAMUVKFHGRGLU-JKSUJKDBSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2cccc(C3CC3)n2)C1 ZINC001156386153 805680890 /nfs/dbraw/zinc/68/08/90/805680890.db2.gz POLGBFXNBHAGKG-ZDUSSCGKSA-N 2 1 259.397 3.103 20 0 CGADMP C[N@@H+]1CCC[C@@H](CCNc2cccc(C3CC3)[nH+]2)C1 ZINC001156386153 805680893 /nfs/dbraw/zinc/68/08/93/805680893.db2.gz POLGBFXNBHAGKG-ZDUSSCGKSA-N 2 1 259.397 3.103 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2cccc(C3CC3)[nH+]2)C1 ZINC001156386153 805680895 /nfs/dbraw/zinc/68/08/95/805680895.db2.gz POLGBFXNBHAGKG-ZDUSSCGKSA-N 2 1 259.397 3.103 20 0 CGADMP CSCc1ccnc(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001156385646 805681475 /nfs/dbraw/zinc/68/14/75/805681475.db2.gz IEUZRMALFDFKGO-CYBMUJFWSA-N 2 1 279.453 3.088 20 0 CGADMP C[NH+]1CCC2(CCN(c3ccc4c([nH+]3)CCCC4)CC2)CC1 ZINC001156575460 805715813 /nfs/dbraw/zinc/71/58/13/805715813.db2.gz CMVMUYPWLUFAJS-UHFFFAOYSA-N 2 1 299.462 3.273 20 0 CGADMP CC(C)c1ccc(NCC23CC[NH+](CC2)CC3)[nH+]c1 ZINC001158827831 806009650 /nfs/dbraw/zinc/00/96/50/806009650.db2.gz VNKVUDMFAVXKIQ-UHFFFAOYSA-N 2 1 259.397 3.103 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCO3)C1 ZINC001253096808 806166782 /nfs/dbraw/zinc/16/67/82/806166782.db2.gz WKJXMXCZCRCMRX-HUUCEWRRSA-N 2 1 288.435 3.004 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC001253096692 806165960 /nfs/dbraw/zinc/16/59/60/806165960.db2.gz VJJPJKHPGSKHMP-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP CC[NH2+]Cc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001159961930 806206303 /nfs/dbraw/zinc/20/63/03/806206303.db2.gz DVOJGHDYCNTTSR-UHFFFAOYSA-N 2 1 295.308 3.375 20 0 CGADMP [NH3+]CCc1cc2ccccc2n1-c1cc2[nH]ccc2c[nH+]1 ZINC001160124013 806224840 /nfs/dbraw/zinc/22/48/40/806224840.db2.gz IBPPSHDWXDJLLP-UHFFFAOYSA-N 2 1 276.343 3.008 20 0 CGADMP COc1ccc2c(cc[nH+]c2NCC[C@H]2CCC[N@H+]2C)c1 ZINC001160966682 806329746 /nfs/dbraw/zinc/32/97/46/806329746.db2.gz XAKIHYQVDOXWHN-CQSZACIVSA-N 2 1 285.391 3.140 20 0 CGADMP COCCC1(CNc2[nH+]ccc3ccccc32)CC[NH2+]CC1 ZINC001161497486 806384458 /nfs/dbraw/zinc/38/44/58/806384458.db2.gz SIUNQMFXKVVJQG-UHFFFAOYSA-N 2 1 299.418 3.053 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC001254451639 806405108 /nfs/dbraw/zinc/40/51/08/806405108.db2.gz ZYBLOLCCNGBUDL-OALUTQOASA-N 2 1 286.463 3.396 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC001254497786 806419278 /nfs/dbraw/zinc/41/92/78/806419278.db2.gz MTAAPPUFGOCRCK-AWEZNQCLSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC001254497786 806419280 /nfs/dbraw/zinc/41/92/80/806419280.db2.gz MTAAPPUFGOCRCK-AWEZNQCLSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001254497015 806419492 /nfs/dbraw/zinc/41/94/92/806419492.db2.gz DSVKZRUQMQAYGK-GFCCVEGCSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001254497015 806419495 /nfs/dbraw/zinc/41/94/95/806419495.db2.gz DSVKZRUQMQAYGK-GFCCVEGCSA-N 2 1 270.779 3.053 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001254497300 806419515 /nfs/dbraw/zinc/41/95/15/806419515.db2.gz BFIVSCYLNGRODL-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001254497300 806419516 /nfs/dbraw/zinc/41/95/16/806419516.db2.gz BFIVSCYLNGRODL-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001254497300 806419520 /nfs/dbraw/zinc/41/95/20/806419520.db2.gz BFIVSCYLNGRODL-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H]([NH3+])c1ccc2c(ccn2[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254500012 806420990 /nfs/dbraw/zinc/42/09/90/806420990.db2.gz RVKUPGZKCZQGKZ-XJKSGUPXSA-N 2 1 271.408 3.318 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254499407 806421236 /nfs/dbraw/zinc/42/12/36/806421236.db2.gz FVDAETRAHLJJNF-INIZCTEOSA-N 2 1 276.424 3.048 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)cc1Cl ZINC001254500510 806421503 /nfs/dbraw/zinc/42/15/03/806421503.db2.gz IYDAGVZULXPVFQ-AWEZNQCLSA-N 2 1 266.816 3.222 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC001254508886 806428267 /nfs/dbraw/zinc/42/82/67/806428267.db2.gz UFUZAFFUXBKMPJ-DLBZAZTESA-N 2 1 276.399 3.351 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CC1 ZINC001254511042 806429825 /nfs/dbraw/zinc/42/98/25/806429825.db2.gz TYSTYDOFVNNCOC-KRWDZBQOSA-N 2 1 290.426 3.365 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254511077 806430612 /nfs/dbraw/zinc/43/06/12/806430612.db2.gz URHYNAASOSDZIE-CQSZACIVSA-N 2 1 276.424 3.004 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001254512216 806432294 /nfs/dbraw/zinc/43/22/94/806432294.db2.gz KVUXBAKDAWVQSO-HIFRSBDPSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001254512216 806432298 /nfs/dbraw/zinc/43/22/98/806432298.db2.gz KVUXBAKDAWVQSO-HIFRSBDPSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522392 806439123 /nfs/dbraw/zinc/43/91/23/806439123.db2.gz FQUVCICXJXXQOG-RHSMWYFYSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522392 806439131 /nfs/dbraw/zinc/43/91/31/806439131.db2.gz FQUVCICXJXXQOG-RHSMWYFYSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522392 806439137 /nfs/dbraw/zinc/43/91/37/806439137.db2.gz FQUVCICXJXXQOG-RHSMWYFYSA-N 2 1 276.399 3.447 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](C)CC1 ZINC001254522884 806440909 /nfs/dbraw/zinc/44/09/09/806440909.db2.gz KHPVFIZEDIYRDB-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522884 806440911 /nfs/dbraw/zinc/44/09/11/806440911.db2.gz KHPVFIZEDIYRDB-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522884 806440915 /nfs/dbraw/zinc/44/09/15/806440915.db2.gz KHPVFIZEDIYRDB-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001254528499 806442788 /nfs/dbraw/zinc/44/27/88/806442788.db2.gz GCEVUYJLIAELKS-XHSDSOJGSA-N 2 1 270.420 3.057 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001254528499 806442792 /nfs/dbraw/zinc/44/27/92/806442792.db2.gz GCEVUYJLIAELKS-XHSDSOJGSA-N 2 1 270.420 3.057 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001254528499 806442795 /nfs/dbraw/zinc/44/27/95/806442795.db2.gz GCEVUYJLIAELKS-XHSDSOJGSA-N 2 1 270.420 3.057 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC001254529825 806443267 /nfs/dbraw/zinc/44/32/67/806443267.db2.gz RIYDAPKJGKBZBL-IAGOWNOFSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cn1 ZINC001254529825 806443271 /nfs/dbraw/zinc/44/32/71/806443271.db2.gz RIYDAPKJGKBZBL-IAGOWNOFSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCC[NH+](C)CC2)cn1 ZINC001254529825 806443274 /nfs/dbraw/zinc/44/32/74/806443274.db2.gz RIYDAPKJGKBZBL-IAGOWNOFSA-N 2 1 273.424 3.011 20 0 CGADMP CC1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135810 806552062 /nfs/dbraw/zinc/55/20/62/806552062.db2.gz FRGKCASRQUMNHD-PIIMJCKOSA-N 2 1 270.420 3.134 20 0 CGADMP Cc1c[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc12 ZINC001162392419 806575504 /nfs/dbraw/zinc/57/55/04/806575504.db2.gz QBKMEZVAZBCUEV-STQMWFEESA-N 2 1 255.365 3.225 20 0 CGADMP C[C@H]1CCCC[C@H]1CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001162524758 806609989 /nfs/dbraw/zinc/60/99/89/806609989.db2.gz HWSBSXMSHWKTAE-KBPBESRZSA-N 2 1 298.434 3.259 20 0 CGADMP CCCC[C@@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255321758 806610349 /nfs/dbraw/zinc/61/03/49/806610349.db2.gz WPSZVGJATNDPRA-BZUAXINKSA-N 2 1 282.472 3.316 20 0 CGADMP CCCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001255328770 806614842 /nfs/dbraw/zinc/61/48/42/806614842.db2.gz DHQQZROQIVMIQI-HNNXBMFYSA-N 2 1 282.472 3.140 20 0 CGADMP CCCC[C@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001255334409 806619441 /nfs/dbraw/zinc/61/94/41/806619441.db2.gz QEDJZRTZGPQFAT-AWEZNQCLSA-N 2 1 290.455 3.231 20 0 CGADMP c1coc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255378221 806628307 /nfs/dbraw/zinc/62/83/07/806628307.db2.gz NDJMVQXBRAYSFW-QGZVFWFLSA-N 2 1 284.403 3.424 20 0 CGADMP c1coc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255378221 806628310 /nfs/dbraw/zinc/62/83/10/806628310.db2.gz NDJMVQXBRAYSFW-QGZVFWFLSA-N 2 1 284.403 3.424 20 0 CGADMP CCSCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383342 806630651 /nfs/dbraw/zinc/63/06/51/806630651.db2.gz HVLJMKRTBVPOCH-KRWDZBQOSA-N 2 1 292.492 3.384 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3C[C@@H]3C3CC3)CC2)cc1 ZINC001255395768 806632995 /nfs/dbraw/zinc/63/29/95/806632995.db2.gz CXOVTEUBAHQGJW-IPMKNSEASA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]([NH3+])c1ccn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255393560 806633276 /nfs/dbraw/zinc/63/32/76/806633276.db2.gz OVIDAOGQIBUVCL-NVXWUHKLSA-N 2 1 298.434 3.130 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)[nH+]c2c1C ZINC001162800683 806668661 /nfs/dbraw/zinc/66/86/61/806668661.db2.gz COQFJCCLVGLHPM-DJIMGWMZSA-N 2 1 293.414 3.346 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140921 798859885 /nfs/dbraw/zinc/85/98/85/798859885.db2.gz WBBGWWHCQJRHGE-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP CCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649507 798871823 /nfs/dbraw/zinc/87/18/23/798871823.db2.gz CFEXMPIRNFYGRI-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817626 798945646 /nfs/dbraw/zinc/94/56/46/798945646.db2.gz PDILTVOZWCWWBN-HIFRSBDPSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000121825867 798989109 /nfs/dbraw/zinc/98/91/09/798989109.db2.gz DWLLOGUBPMLOLY-YJBOKZPZSA-N 2 1 290.451 3.468 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000312595801 799228965 /nfs/dbraw/zinc/22/89/65/799228965.db2.gz DIQPNSHDNJKMBL-LBPRGKRZSA-N 2 1 286.341 3.266 20 0 CGADMP CC(C)(C)OC1CC([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000341632653 799288333 /nfs/dbraw/zinc/28/83/33/799288333.db2.gz YOXYFOYZELMNSF-GTPINHCMSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379648093 799351262 /nfs/dbraw/zinc/35/12/62/799351262.db2.gz LYFUBOOFRIXONP-CCSFHNQDSA-N 2 1 278.827 3.382 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CC[N@H+]1Cc1ccccc1 ZINC000379648093 799351270 /nfs/dbraw/zinc/35/12/70/799351270.db2.gz LYFUBOOFRIXONP-CCSFHNQDSA-N 2 1 278.827 3.382 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@H]12 ZINC000381944679 799389628 /nfs/dbraw/zinc/38/96/28/799389628.db2.gz ZUDWBJDQWCQSKA-VNQPRFMTSA-N 2 1 262.441 3.159 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]ccc3c2ccn3C)[C@@H](C)C1 ZINC001163361317 806745599 /nfs/dbraw/zinc/74/55/99/806745599.db2.gz IFSOAISTPBUSNV-DZGCQCFKSA-N 2 1 286.423 3.104 20 0 CGADMP C1CCC2(C1)CCC([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CC2 ZINC000383374173 799402631 /nfs/dbraw/zinc/40/26/31/799402631.db2.gz KDCXUJFOJBIIAA-IYBDPMFKSA-N 2 1 276.468 3.421 20 0 CGADMP CC(C)C([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC000384990294 799419598 /nfs/dbraw/zinc/41/95/98/799419598.db2.gz PWKHSJCUQZHULQ-GOOCMWNKSA-N 2 1 252.446 3.272 20 0 CGADMP CC(C)C([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000384990294 799419602 /nfs/dbraw/zinc/41/96/02/799419602.db2.gz PWKHSJCUQZHULQ-GOOCMWNKSA-N 2 1 252.446 3.272 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000388367910 799452776 /nfs/dbraw/zinc/45/27/76/799452776.db2.gz KCABWBGROROPKJ-UHFFFAOYSA-N 2 1 258.409 3.302 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000388403827 799452877 /nfs/dbraw/zinc/45/28/77/799452877.db2.gz CDJVZAOWUJMUHP-AWEZNQCLSA-N 2 1 258.409 3.125 20 0 CGADMP CCOc1cc[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001163365221 806749503 /nfs/dbraw/zinc/74/95/03/806749503.db2.gz YOJIAFJLQNLVBO-ZFWWWQNUSA-N 2 1 277.412 3.011 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC[NH2+]CC1 ZINC000399334558 799537652 /nfs/dbraw/zinc/53/76/52/799537652.db2.gz DJWYENQCKGJBAI-LLVKDONJSA-N 2 1 279.255 3.034 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000399227616 799536759 /nfs/dbraw/zinc/53/67/59/799536759.db2.gz YTLBYEYVGDJTSG-FRRDWIJNSA-N 2 1 291.266 3.034 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000399227615 799537110 /nfs/dbraw/zinc/53/71/10/799537110.db2.gz YTLBYEYVGDJTSG-AVGNSLFASA-N 2 1 291.266 3.034 20 0 CGADMP C[N@@H+](Cc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687976928 799743325 /nfs/dbraw/zinc/74/33/25/799743325.db2.gz CYUBHTQGXGUJAF-UHFFFAOYSA-N 2 1 278.446 3.087 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699313165 799859135 /nfs/dbraw/zinc/85/91/35/799859135.db2.gz VMJZMUOULVSQQZ-FFHGMXDLSA-N 2 1 276.399 3.349 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000700296021 799869663 /nfs/dbraw/zinc/86/96/63/799869663.db2.gz NBCBEPVIDBBFPH-UHFFFAOYSA-N 2 1 261.196 3.210 20 0 CGADMP C1C[N@H+]([C@H]2CCCC[NH2+]C2)C[C@@H]1C1CCCCC1 ZINC000708832934 799995714 /nfs/dbraw/zinc/99/57/14/799995714.db2.gz UKESGGHZXSEAQJ-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853809 799997473 /nfs/dbraw/zinc/99/74/73/799997473.db2.gz IOAYJVXCKHYXMS-NQBHXWOUSA-N 2 1 286.341 3.293 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@]12C[C@H]1CCCC2 ZINC000709153535 800004360 /nfs/dbraw/zinc/00/43/60/800004360.db2.gz IGISFUXJGZKTPN-QCODTGAPSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@]12C[C@H]1CCCC2 ZINC000709153535 800004369 /nfs/dbraw/zinc/00/43/69/800004369.db2.gz IGISFUXJGZKTPN-QCODTGAPSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@]1(C(F)(F)F)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000709595685 800010312 /nfs/dbraw/zinc/01/03/12/800010312.db2.gz GNXAVSGGODTRHR-LBPRGKRZSA-N 2 1 266.351 3.170 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000709703380 800014305 /nfs/dbraw/zinc/01/43/05/800014305.db2.gz SVDSOCKIWQXQFR-CQSZACIVSA-N 2 1 270.461 3.031 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001255952729 806796702 /nfs/dbraw/zinc/79/67/02/806796702.db2.gz HIGNBIAPJYUBBZ-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C)CC2)C1 ZINC000710324822 800033431 /nfs/dbraw/zinc/03/34/31/800033431.db2.gz IZADTFJFVNAJSS-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCc2sccc21 ZINC001255954434 806797313 /nfs/dbraw/zinc/79/73/13/806797313.db2.gz DLKREYQODKPHBK-JSGCOSHPSA-N 2 1 266.454 3.445 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000710730898 800038450 /nfs/dbraw/zinc/03/84/50/800038450.db2.gz YEWWQCXDGLPMGN-CYBMUJFWSA-N 2 1 252.377 3.338 20 0 CGADMP CC[C@@]1(C)CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710909672 800042051 /nfs/dbraw/zinc/04/20/51/800042051.db2.gz ZZEXAIACTDDYSH-HNNXBMFYSA-N 2 1 264.438 3.016 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@](C)(F)C1 ZINC001255957627 806797891 /nfs/dbraw/zinc/79/78/91/806797891.db2.gz SZONPQLVAWEJEN-CABCVRRESA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@](C)(F)C1 ZINC001255957627 806797894 /nfs/dbraw/zinc/79/78/94/806797894.db2.gz SZONPQLVAWEJEN-CABCVRRESA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001255957345 806798743 /nfs/dbraw/zinc/79/87/43/806798743.db2.gz QPSYOCKECXNBPG-STQMWFEESA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001255957345 806798746 /nfs/dbraw/zinc/79/87/46/806798746.db2.gz QPSYOCKECXNBPG-STQMWFEESA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCc1cccc(OC)c1 ZINC001255965132 806802688 /nfs/dbraw/zinc/80/26/88/806802688.db2.gz YBUBFLOHRSAPBI-MRXNPFEDSA-N 2 1 292.467 3.290 20 0 CGADMP CCC1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000714959666 800129870 /nfs/dbraw/zinc/12/98/70/800129870.db2.gz HCCOCDPNNUIACT-BHDPWAOGSA-N 2 1 250.430 3.029 20 0 CGADMP CCC1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC000714959666 800129866 /nfs/dbraw/zinc/12/98/66/800129866.db2.gz HCCOCDPNNUIACT-BHDPWAOGSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716718477 800179154 /nfs/dbraw/zinc/17/91/54/800179154.db2.gz OPBWCCLZCUDPOG-BZSNNMDCSA-N 2 1 284.447 3.429 20 0 CGADMP C1CC1[NH+]1CCC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC001256067084 806809613 /nfs/dbraw/zinc/80/96/13/806809613.db2.gz HKPWIVIISOMLKO-UHFFFAOYSA-N 2 1 274.452 3.172 20 0 CGADMP C[C@@H](COCc1ccccc1)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000719472467 800239334 /nfs/dbraw/zinc/23/93/34/800239334.db2.gz RXBIREIKGPWRPD-FAEJEUNOSA-N 2 1 290.451 3.041 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C(F)(F)F ZINC000720858105 800269452 /nfs/dbraw/zinc/26/94/52/800269452.db2.gz SXJGQYQVLCRFPO-CHWSQXEVSA-N 2 1 278.362 3.026 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000723907725 800343690 /nfs/dbraw/zinc/34/36/90/800343690.db2.gz DAJRUCBWPMLWDI-BFYDXBDKSA-N 2 1 260.425 3.097 20 0 CGADMP CN1CCC([N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001256208247 806850199 /nfs/dbraw/zinc/85/01/99/806850199.db2.gz AUAMUQWLLQJBRZ-INIZCTEOSA-N 2 1 250.430 3.125 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001256396881 806880837 /nfs/dbraw/zinc/88/08/37/806880837.db2.gz LXEGMRXVLHHZCW-LPHOPBHVSA-N 2 1 297.446 3.295 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccccn1 ZINC001256406000 806884351 /nfs/dbraw/zinc/88/43/51/806884351.db2.gz RFQSBELFKWUENX-IAGOWNOFSA-N 2 1 297.446 3.110 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CC[N@@H+](C(CC)CC)C2)CC1 ZINC001256432985 806896632 /nfs/dbraw/zinc/89/66/32/806896632.db2.gz BURQKAIDTMGOOI-CKDBGZEDSA-N 2 1 282.472 3.187 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](C(CC)CC)C2)CC1 ZINC001256432985 806896639 /nfs/dbraw/zinc/89/66/39/806896639.db2.gz BURQKAIDTMGOOI-CKDBGZEDSA-N 2 1 282.472 3.187 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001256437544 806897869 /nfs/dbraw/zinc/89/78/69/806897869.db2.gz SMHRPTNDQUBNBY-VXLLPVPCSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H]([NH3+])c1nccn1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521118 806908979 /nfs/dbraw/zinc/90/89/79/806908979.db2.gz ZUNCAQTVRVPOEB-VYDXJSESSA-N 2 1 298.434 3.128 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256525772 806909656 /nfs/dbraw/zinc/90/96/56/806909656.db2.gz FAMPTOSRAYLASU-DDBAPUKQSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256525772 806909659 /nfs/dbraw/zinc/90/96/59/806909659.db2.gz FAMPTOSRAYLASU-DDBAPUKQSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256528120 806910880 /nfs/dbraw/zinc/91/08/80/806910880.db2.gz XWLRUZSQMOEIKN-SIXLDLHFSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256528120 806910881 /nfs/dbraw/zinc/91/08/81/806910881.db2.gz XWLRUZSQMOEIKN-SIXLDLHFSA-N 2 1 276.399 3.130 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001256616533 806926436 /nfs/dbraw/zinc/92/64/36/806926436.db2.gz UXSVYCHMRZAAFU-UCMJJCQDSA-N 2 1 286.419 3.033 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001256616533 806926439 /nfs/dbraw/zinc/92/64/39/806926439.db2.gz UXSVYCHMRZAAFU-UCMJJCQDSA-N 2 1 286.419 3.033 20 0 CGADMP CC[NH+]1CCC(N(C)c2cc(OC)c3ccccc3[nH+]2)CC1 ZINC001165067105 806967718 /nfs/dbraw/zinc/96/77/18/806967718.db2.gz BJZTXRFXSIVYMM-UHFFFAOYSA-N 2 1 299.418 3.164 20 0 CGADMP CC[N@@H+](CCNc1cc[nH+]c2cc(OC)ccc12)C1CC1 ZINC001116292794 802325903 /nfs/dbraw/zinc/32/59/03/802325903.db2.gz FGEGALVEQFJHFN-UHFFFAOYSA-N 2 1 285.391 3.140 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172382444 808275519 /nfs/dbraw/zinc/27/55/19/808275519.db2.gz LGKAJHCHGBBQJS-IIAWOOMASA-N 2 1 252.446 3.227 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001117830258 802505373 /nfs/dbraw/zinc/50/53/73/802505373.db2.gz BETARFNGCKIKRQ-UHFFFAOYSA-N 2 1 272.436 3.139 20 0 CGADMP CC[C@H]([NH2+]CCc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC001118059353 802521230 /nfs/dbraw/zinc/52/12/30/802521230.db2.gz PCBUZUQBQSNFIP-GJZGRUSLSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@H](C[NH2+]CCCC(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC001120020218 802725682 /nfs/dbraw/zinc/72/56/82/802725682.db2.gz LDEYFINMJOBEGT-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@H](C[NH2+]CCCC(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC001120020218 802725684 /nfs/dbraw/zinc/72/56/84/802725684.db2.gz LDEYFINMJOBEGT-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001120030685 802727513 /nfs/dbraw/zinc/72/75/13/802727513.db2.gz HBCUASLDTMQCBF-GWONACJQSA-N 2 1 282.497 3.266 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001120072540 802732935 /nfs/dbraw/zinc/73/29/35/802732935.db2.gz WSJWPJBCWSNJCT-UXLLHSPISA-N 2 1 290.426 3.296 20 0 CGADMP c1cc(CCC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)ccn1 ZINC001256899905 807001909 /nfs/dbraw/zinc/00/19/09/807001909.db2.gz XFVPJTGESBQXBC-QGZVFWFLSA-N 2 1 287.451 3.011 20 0 CGADMP c1cc(CCC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)ccn1 ZINC001256899905 807001911 /nfs/dbraw/zinc/00/19/11/807001911.db2.gz XFVPJTGESBQXBC-QGZVFWFLSA-N 2 1 287.451 3.011 20 0 CGADMP c1[nH]c2ccc(NCC3C[NH+](Cc4ccccc4)C3)cc2[nH+]1 ZINC001165469994 807004672 /nfs/dbraw/zinc/00/46/72/807004672.db2.gz WWJFONAZQDXBIL-UHFFFAOYSA-N 2 1 292.386 3.107 20 0 CGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243949163 803095232 /nfs/dbraw/zinc/09/52/32/803095232.db2.gz SIAPCIPUNUIZBF-AWEZNQCLSA-N 2 1 271.408 3.180 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243949163 803095235 /nfs/dbraw/zinc/09/52/35/803095235.db2.gz SIAPCIPUNUIZBF-AWEZNQCLSA-N 2 1 271.408 3.180 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)c1 ZINC001206808701 813443061 /nfs/dbraw/zinc/44/30/61/813443061.db2.gz KBGXSGCYXJSOKM-STQMWFEESA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)c1 ZINC001206808701 813443067 /nfs/dbraw/zinc/44/30/67/813443067.db2.gz KBGXSGCYXJSOKM-STQMWFEESA-N 2 1 296.842 3.298 20 0 CGADMP Cc1csc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1Cl ZINC001137292553 803710453 /nfs/dbraw/zinc/71/04/53/803710453.db2.gz FPOCJNDYPUOPFP-CQSZACIVSA-N 2 1 284.856 3.238 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001137331216 803716389 /nfs/dbraw/zinc/71/63/89/803716389.db2.gz VETXCJYDCDWMNL-IRXDYDNUSA-N 2 1 289.467 3.470 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001138101153 803853556 /nfs/dbraw/zinc/85/35/56/803853556.db2.gz NPTBARBOGVGYHX-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)cc2c1 ZINC001138420227 803927277 /nfs/dbraw/zinc/92/72/77/803927277.db2.gz STPIZVJMVMKJBR-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001138543783 803963858 /nfs/dbraw/zinc/96/38/58/803963858.db2.gz UROOLHAYAKNRCY-CQSZACIVSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001138543783 803963861 /nfs/dbraw/zinc/96/38/61/803963861.db2.gz UROOLHAYAKNRCY-CQSZACIVSA-N 2 1 269.392 3.413 20 0 CGADMP CC(C)([NH3+])c1ccc(-c2ccc3[nH]c(N)[nH+]c3c2)cc1 ZINC001245909435 804036990 /nfs/dbraw/zinc/03/69/90/804036990.db2.gz OSBZYEVDQTUGPC-UHFFFAOYSA-N 2 1 266.348 3.006 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246070537 804108856 /nfs/dbraw/zinc/10/88/56/804108856.db2.gz CJEWLESMHYKAGF-ZSHCYNCHSA-N 2 1 276.424 3.094 20 0 CGADMP C[NH2+]CCN[C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246071896 804110460 /nfs/dbraw/zinc/11/04/60/804110460.db2.gz CRANLLVMMBTNFO-INIZCTEOSA-N 2 1 282.431 3.406 20 0 CGADMP C[NH2+]CC[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246071896 804110466 /nfs/dbraw/zinc/11/04/66/804110466.db2.gz CRANLLVMMBTNFO-INIZCTEOSA-N 2 1 282.431 3.406 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246088027 804120926 /nfs/dbraw/zinc/12/09/26/804120926.db2.gz HPVWYNYVZDDCDD-SFHVURJKSA-N 2 1 297.531 3.401 20 0 CGADMP C[C@]1([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC001246092374 804123641 /nfs/dbraw/zinc/12/36/41/804123641.db2.gz BQZHNHLGDWDGPH-BBWFWOEESA-N 2 1 258.409 3.054 20 0 CGADMP C[C@]1([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC[NH2+]C1 ZINC001246097413 804130384 /nfs/dbraw/zinc/13/03/84/804130384.db2.gz OWWFFUWIFNVLBB-DOMZBBRYSA-N 2 1 299.245 3.192 20 0 CGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)[NH2+]C1 ZINC001246104380 804137118 /nfs/dbraw/zinc/13/71/18/804137118.db2.gz JNECYEDCJBENRK-VHDGCEQUSA-N 2 1 292.854 3.175 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246108136 804139764 /nfs/dbraw/zinc/13/97/64/804139764.db2.gz FCLUEYRDFKAIRC-IAGOWNOFSA-N 2 1 260.425 3.130 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246112066 804143436 /nfs/dbraw/zinc/14/34/36/804143436.db2.gz KKPXAGPKMVPAQL-BBRMVZONSA-N 2 1 298.833 3.342 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246118285 804149477 /nfs/dbraw/zinc/14/94/77/804149477.db2.gz PHZOHSUTACKZJA-KBAYOESNSA-N 2 1 274.452 3.231 20 0 CGADMP F[C@@]1(C[NH2+]C2CCCCCCC2)CCCC[NH2+]C1 ZINC001246117024 804149515 /nfs/dbraw/zinc/14/95/15/804149515.db2.gz YWLWPUDVJFWKFW-HNNXBMFYSA-N 2 1 256.409 3.171 20 0 CGADMP Clc1cccc(CC[NH2+][C@H]2CCCC[NH2+]C2)c1Cl ZINC001246160641 804177997 /nfs/dbraw/zinc/17/79/97/804177997.db2.gz UMTJUUQUNMTKGA-LBPRGKRZSA-N 2 1 287.234 3.268 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)CC(C)(C)C1 ZINC001246162494 804178734 /nfs/dbraw/zinc/17/87/34/804178734.db2.gz ZFEJYLBIPXMPEY-KYHPRHEASA-N 2 1 294.483 3.092 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162088 804179310 /nfs/dbraw/zinc/17/93/10/804179310.db2.gz XBMSELFFKLNWAW-IXDOHACOSA-N 2 1 282.472 3.092 20 0 CGADMP c1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCCCC2)cc1 ZINC001246180539 804194087 /nfs/dbraw/zinc/19/40/87/804194087.db2.gz SRWVQGRZVFFALY-QGZVFWFLSA-N 2 1 272.436 3.230 20 0 CGADMP CCC[C@H](Cc1ccccc1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001246186443 804197128 /nfs/dbraw/zinc/19/71/28/804197128.db2.gz XLAUCCMEPTVFKT-IAGOWNOFSA-N 2 1 278.415 3.079 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246186443 804197133 /nfs/dbraw/zinc/19/71/33/804197133.db2.gz XLAUCCMEPTVFKT-IAGOWNOFSA-N 2 1 278.415 3.079 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246189619 804200773 /nfs/dbraw/zinc/20/07/73/804200773.db2.gz OKZPFRIAQDQTTA-XHDPSFHLSA-N 2 1 284.806 3.142 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246218621 804213174 /nfs/dbraw/zinc/21/31/74/804213174.db2.gz CAPVMBKQJHTSER-KGLIPLIRSA-N 2 1 276.415 3.426 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246240724 804232377 /nfs/dbraw/zinc/23/23/77/804232377.db2.gz WPZNKTQJIGOBII-BXUZGUMPSA-N 2 1 264.800 3.059 20 0 CGADMP CCC[C@H]([NH2+][C@H](C)CC[NH2+]C)c1ccccc1F ZINC001246278253 804252578 /nfs/dbraw/zinc/25/25/78/804252578.db2.gz UKSHHWBCPKRGBA-DOMZBBRYSA-N 2 1 252.377 3.255 20 0 CGADMP [NH3+]CC1([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCCC1 ZINC001246287246 804261274 /nfs/dbraw/zinc/26/12/74/804261274.db2.gz NVYSFUYHVSTNOO-CYBMUJFWSA-N 2 1 278.827 3.058 20 0 CGADMP CCC1CCC([NH2+]C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001246298363 804267082 /nfs/dbraw/zinc/26/70/82/804267082.db2.gz ADUQPVUDURUUNY-WIHSUSGWSA-N 2 1 260.425 3.115 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C)c(C)c1 ZINC001246309146 804272125 /nfs/dbraw/zinc/27/21/25/804272125.db2.gz UMKNHNKKBWVXIK-DLBZAZTESA-N 2 1 260.425 3.486 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139797171 804282088 /nfs/dbraw/zinc/28/20/88/804282088.db2.gz NATSDCXJMINOAW-OCCSQVGLSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139797171 804282092 /nfs/dbraw/zinc/28/20/92/804282092.db2.gz NATSDCXJMINOAW-OCCSQVGLSA-N 2 1 280.362 3.008 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC001246324580 804283017 /nfs/dbraw/zinc/28/30/17/804283017.db2.gz FOQSHRSMUIBHOK-LZWOXQAQSA-N 2 1 278.465 3.063 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CCC2(C)C)cc1 ZINC001246325446 804283228 /nfs/dbraw/zinc/28/32/28/804283228.db2.gz KLNVXTJUJWOPPA-RHSMWYFYSA-N 2 1 274.452 3.158 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246333428 804287816 /nfs/dbraw/zinc/28/78/16/804287816.db2.gz VDSYPXOZPSHYBR-SWLSCSKDSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246332215 804288455 /nfs/dbraw/zinc/28/84/55/804288455.db2.gz PZGMFAIAMORMBZ-ZOWXZIJZSA-N 2 1 298.883 3.408 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC001246343579 804293738 /nfs/dbraw/zinc/29/37/38/804293738.db2.gz MXENAGGGIGIXRN-FICVDOATSA-N 2 1 278.827 3.411 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C[NH2+]1 ZINC001246384542 804316753 /nfs/dbraw/zinc/31/67/53/804316753.db2.gz PQJLPKPQTDOIQG-CZUORRHYSA-N 2 1 292.854 3.393 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139893850 804318430 /nfs/dbraw/zinc/31/84/30/804318430.db2.gz WWXBCIBXARHOFF-HOTGVXAUSA-N 2 1 298.405 3.362 20 0 CGADMP Fc1ccccc1[C@@H](CC1CC1)[NH2+]C1CC[NH2+]CC1 ZINC001246389407 804318970 /nfs/dbraw/zinc/31/89/70/804318970.db2.gz AYNMXCREXKRMEP-MRXNPFEDSA-N 2 1 262.372 3.009 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246407667 804323684 /nfs/dbraw/zinc/32/36/84/804323684.db2.gz SIDGFCDXETVBLA-OCCSQVGLSA-N 2 1 286.410 3.465 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246407027 804324146 /nfs/dbraw/zinc/32/41/46/804324146.db2.gz SKORCHSCFHBRAV-AHCXZYCDSA-N 2 1 293.499 3.032 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2c3ccccc3-c3ccccc32)C[NH2+]1 ZINC001246472838 804348874 /nfs/dbraw/zinc/34/88/74/804348874.db2.gz ZABBPPHRDLROQC-UONOGXRCSA-N 2 1 278.399 3.139 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246482971 804355749 /nfs/dbraw/zinc/35/57/49/804355749.db2.gz QWWVONSNOZCCSH-CHWSQXEVSA-N 2 1 262.388 3.036 20 0 CGADMP CCC[N@@H+](CCOC)Cc1ccccc1-n1ccnc1C ZINC001140023828 804356087 /nfs/dbraw/zinc/35/60/87/804356087.db2.gz ZIUBEGUEUJFKOT-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP CCC[N@H+](CCOC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140023828 804356095 /nfs/dbraw/zinc/35/60/95/804356095.db2.gz ZIUBEGUEUJFKOT-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP CCC[N@@H+](CCOC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140023828 804356104 /nfs/dbraw/zinc/35/61/04/804356104.db2.gz ZIUBEGUEUJFKOT-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246496134 804359942 /nfs/dbraw/zinc/35/99/42/804359942.db2.gz NCEHETHVVBJQOX-UHFFFAOYSA-N 3 1 295.515 3.186 20 0 CGADMP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246496499 804361285 /nfs/dbraw/zinc/36/12/85/804361285.db2.gz JPYLDVYJDBOQQX-DOTOQJQBSA-N 2 1 258.409 3.186 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246522243 804375652 /nfs/dbraw/zinc/37/56/52/804375652.db2.gz JAMIYBRJKSWIAG-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@@H]1C ZINC001246522153 804377550 /nfs/dbraw/zinc/37/75/50/804377550.db2.gz IOKCADCYAFGZCM-PMPSAXMXSA-N 2 1 264.457 3.277 20 0 CGADMP [NH3+][C@@H]1C[N@@H+](C2CCC3(CCCCC3)CC2)CC12CC2 ZINC001246534159 804384549 /nfs/dbraw/zinc/38/45/49/804384549.db2.gz QKDMBCYPMNAJTQ-OAHLLOKOSA-N 2 1 262.441 3.303 20 0 CGADMP [NH3+][C@@H]1C[N@H+](C2CCC3(CCCCC3)CC2)CC12CC2 ZINC001246534159 804384558 /nfs/dbraw/zinc/38/45/58/804384558.db2.gz QKDMBCYPMNAJTQ-OAHLLOKOSA-N 2 1 262.441 3.303 20 0 CGADMP Clc1ccc2c(c1)C[N@@H+](C1CCC3(C[NH2+]C3)CC1)CC2 ZINC001246539418 804388402 /nfs/dbraw/zinc/38/84/02/804388402.db2.gz PTBOZAVGKWYWCL-UHFFFAOYSA-N 2 1 290.838 3.230 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246542090 804391173 /nfs/dbraw/zinc/39/11/73/804391173.db2.gz VHQBIQMQJKFVPX-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246542090 804391182 /nfs/dbraw/zinc/39/11/82/804391182.db2.gz VHQBIQMQJKFVPX-SJORKVTESA-N 2 1 258.409 3.274 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246544695 804394245 /nfs/dbraw/zinc/39/42/45/804394245.db2.gz RYDYRBUSHPOTDC-MXASKKJJSA-N 2 1 258.409 3.134 20 0 CGADMP c1ccc([C@H]2CCCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246549295 804399086 /nfs/dbraw/zinc/39/90/86/804399086.db2.gz JKKRNGJMAHPLRO-DLBZAZTESA-N 2 1 258.409 3.356 20 0 CGADMP c1ccc([C@H]2CCCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246549295 804399082 /nfs/dbraw/zinc/39/90/82/804399082.db2.gz JKKRNGJMAHPLRO-DLBZAZTESA-N 2 1 258.409 3.356 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246551457 804400857 /nfs/dbraw/zinc/40/08/57/804400857.db2.gz RYDYRBUSHPOTDC-BSWAZPDLSA-N 2 1 258.409 3.134 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001246551298 804401137 /nfs/dbraw/zinc/40/11/37/804401137.db2.gz PNQHVVNVQRVUOO-QWHCGFSZSA-N 2 1 298.833 3.342 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001246551298 804401140 /nfs/dbraw/zinc/40/11/40/804401140.db2.gz PNQHVVNVQRVUOO-QWHCGFSZSA-N 2 1 298.833 3.342 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246553271 804402397 /nfs/dbraw/zinc/40/23/97/804402397.db2.gz XKKZFNRRZUMJHL-GJZGRUSLSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246553471 804404071 /nfs/dbraw/zinc/40/40/71/804404071.db2.gz YDGUNDHNBSGCPN-XJKSGUPXSA-N 2 1 298.833 3.424 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557017 804405751 /nfs/dbraw/zinc/40/57/51/804405751.db2.gz KJJUMQZQFQSWAX-QWHCGFSZSA-N 2 1 262.388 3.261 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555467 804407013 /nfs/dbraw/zinc/40/70/13/804407013.db2.gz GTFLQKPCVFFXRZ-STQMWFEESA-N 2 1 260.372 3.037 20 0 CGADMP C[C@H]1CC[N@H+](C2CCCCCCC2)CC[C@H]1C[NH3+] ZINC001246560720 804410094 /nfs/dbraw/zinc/41/00/94/804410094.db2.gz SGQCVGZDVQVZEB-GJZGRUSLSA-N 2 1 252.446 3.406 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246570222 804417608 /nfs/dbraw/zinc/41/76/08/804417608.db2.gz UKWBLHSUTPNZFD-RDBSUJKOSA-N 2 1 272.502 3.213 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246573019 804420865 /nfs/dbraw/zinc/42/08/65/804420865.db2.gz YNVJPWUCYYBROE-UIDBIOKJSA-N 2 1 252.446 3.262 20 0 CGADMP CCCCC[C@H](CC)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246574200 804421059 /nfs/dbraw/zinc/42/10/59/804421059.db2.gz FHEFEFRNUYWZLV-LSDHHAIUSA-N 2 1 258.425 3.498 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246574200 804421062 /nfs/dbraw/zinc/42/10/62/804421062.db2.gz FHEFEFRNUYWZLV-LSDHHAIUSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1C ZINC001246576969 804422164 /nfs/dbraw/zinc/42/21/64/804422164.db2.gz URBSZFYNHBJVQY-PMPSAXMXSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001246575882 804422172 /nfs/dbraw/zinc/42/21/72/804422172.db2.gz LKAQYYUVTOFAJK-QZTJIDSGSA-N 2 1 290.426 3.134 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001246575032 804422717 /nfs/dbraw/zinc/42/27/17/804422717.db2.gz GLTVAWWOSGGVRX-YNEHKIRRSA-N 2 1 296.352 3.260 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001246575032 804422722 /nfs/dbraw/zinc/42/27/22/804422722.db2.gz GLTVAWWOSGGVRX-YNEHKIRRSA-N 2 1 296.352 3.260 20 0 CGADMP C[C@@H]1CC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1(F)F ZINC001246581670 804426417 /nfs/dbraw/zinc/42/64/17/804426417.db2.gz TXCNVCIPTMODBX-WLYUNCDWSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1(F)F ZINC001246581670 804426420 /nfs/dbraw/zinc/42/64/20/804426420.db2.gz TXCNVCIPTMODBX-WLYUNCDWSA-N 2 1 286.410 3.276 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)CC2)CC[NH2+]1 ZINC001246586916 804430448 /nfs/dbraw/zinc/43/04/48/804430448.db2.gz QBSJSGXIKNDENJ-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP C1CCC([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001246600954 804438747 /nfs/dbraw/zinc/43/87/47/804438747.db2.gz FHNFGDVZTOSBKF-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246605402 804441207 /nfs/dbraw/zinc/44/12/07/804441207.db2.gz BRDOFIFLMRJPNO-FQEVSTJZSA-N 2 1 298.474 3.400 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246608758 804443470 /nfs/dbraw/zinc/44/34/70/804443470.db2.gz JLVNASQKDLXPOB-IEBWSBKVSA-N 2 1 284.447 3.070 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246609803 804445706 /nfs/dbraw/zinc/44/57/06/804445706.db2.gz NLZHAUWYZBHQQM-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246614535 804448945 /nfs/dbraw/zinc/44/89/45/804448945.db2.gz NTEIMJLQIRTCDX-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246614535 804448950 /nfs/dbraw/zinc/44/89/50/804448950.db2.gz NTEIMJLQIRTCDX-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246615573 804450136 /nfs/dbraw/zinc/45/01/36/804450136.db2.gz XAYNJECFHXNHBR-QUCCMNQESA-N 2 1 298.474 3.318 20 0 CGADMP C[C@@H]1CC([N@H+]2CCCC3(CCCC3)C2)C[C@@H](C)[NH2+]1 ZINC001246615138 804450147 /nfs/dbraw/zinc/45/01/47/804450147.db2.gz QGOVDPLDWHRROG-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246615462 804450349 /nfs/dbraw/zinc/45/03/49/804450349.db2.gz WDWSVZBFDUZVQC-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246615462 804450353 /nfs/dbraw/zinc/45/03/53/804450353.db2.gz WDWSVZBFDUZVQC-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246615272 804450591 /nfs/dbraw/zinc/45/05/91/804450591.db2.gz RSOPARLFRGWSSS-AZUAARDMSA-N 2 1 298.474 3.460 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246615272 804450596 /nfs/dbraw/zinc/45/05/96/804450596.db2.gz RSOPARLFRGWSSS-AZUAARDMSA-N 2 1 298.474 3.460 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246617944 804451605 /nfs/dbraw/zinc/45/16/05/804451605.db2.gz DXEBTSBWGSDEJL-NXHRZFHOSA-N 2 1 284.447 3.254 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246618185 804451743 /nfs/dbraw/zinc/45/17/43/804451743.db2.gz JGGLKDMUMKEPQQ-MOPGFXCFSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246618185 804451747 /nfs/dbraw/zinc/45/17/47/804451747.db2.gz JGGLKDMUMKEPQQ-MOPGFXCFSA-N 2 1 284.447 3.070 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246623553 804455590 /nfs/dbraw/zinc/45/55/90/804455590.db2.gz AIAFJNRHPACYNW-CWRNSKLLSA-N 2 1 292.854 3.202 20 0 CGADMP CCCCCC[C@H](CCCC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246628379 804459190 /nfs/dbraw/zinc/45/91/90/804459190.db2.gz LEAKCUSFSGSCOB-ZWKOTPCHSA-N 2 1 295.515 3.153 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)C2)cc1 ZINC001246629411 804461385 /nfs/dbraw/zinc/46/13/85/804461385.db2.gz ZBNGBCWFAFOUKN-INDMIFKZSA-N 2 1 284.447 3.397 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246632581 804462266 /nfs/dbraw/zinc/46/22/66/804462266.db2.gz XRKAPDJBJWUEGK-WMZOPIPTSA-N 2 1 272.436 3.002 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)C2)cc1 ZINC001246631876 804462754 /nfs/dbraw/zinc/46/27/54/804462754.db2.gz UALHDKOMPQBZKS-XMTFNYHQSA-N 2 1 270.420 3.007 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246637213 804465457 /nfs/dbraw/zinc/46/54/57/804465457.db2.gz MMAVRUJQAJZOIO-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c(C)c2)CC1 ZINC001140579672 804466708 /nfs/dbraw/zinc/46/67/08/804466708.db2.gz CMBZPIKRTFCIFJ-UHFFFAOYSA-N 2 1 290.451 3.397 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246640566 804467569 /nfs/dbraw/zinc/46/75/69/804467569.db2.gz VMJBSCPLIOOFII-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(C[C@H]2C[C@H]([NH+]3CCC4(CC4)CC3)CC[NH2+]2)cc1 ZINC001246640018 804467918 /nfs/dbraw/zinc/46/79/18/804467918.db2.gz AIJWJZPYPGGMEM-ZWKOTPCHSA-N 2 1 284.447 3.226 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246643834 804470371 /nfs/dbraw/zinc/47/03/71/804470371.db2.gz DLAMKJHODISYQN-AILXTGBUSA-N 2 1 296.458 3.107 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246645280 804471931 /nfs/dbraw/zinc/47/19/31/804471931.db2.gz UTIUPJPHHFAMTQ-ZBFHGGJFSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246646349 804474160 /nfs/dbraw/zinc/47/41/60/804474160.db2.gz YPRIIOQYRZQRSW-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246646349 804474162 /nfs/dbraw/zinc/47/41/62/804474162.db2.gz YPRIIOQYRZQRSW-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246648083 804475162 /nfs/dbraw/zinc/47/51/62/804475162.db2.gz OILGHQIKHCNQQS-RDGPPVDQSA-N 2 1 284.447 3.254 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@@]34CCC[NH2+]C4)C[C@@H]21 ZINC001246653090 804479328 /nfs/dbraw/zinc/47/93/28/804479328.db2.gz QXUWEEGCWXAPQB-MPTYRVRUSA-N 2 1 262.441 3.029 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246655154 804480083 /nfs/dbraw/zinc/48/00/83/804480083.db2.gz GLWNNZWNOIVYKA-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@]23CCC[NH2+]C3)C1 ZINC001246654190 804480541 /nfs/dbraw/zinc/48/05/41/804480541.db2.gz VNXMPKVBHNJTNV-PMPSAXMXSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656830 804481874 /nfs/dbraw/zinc/48/18/74/804481874.db2.gz NWTKSPNBVRPJPW-IHRRRGAJSA-N 2 1 292.389 3.429 20 0 CGADMP CCCCCC[C@H](CCCC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246660582 804483344 /nfs/dbraw/zinc/48/33/44/804483344.db2.gz VMROXUMCHYXIES-CAOSSQGBSA-N 2 1 252.446 3.405 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246663285 804484925 /nfs/dbraw/zinc/48/49/25/804484925.db2.gz JBPMQCWDUOXKLT-KLHDSHLOSA-N 2 1 252.446 3.260 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246661707 804485245 /nfs/dbraw/zinc/48/52/45/804485245.db2.gz GLAJBEGNMWIICI-HGTKMLMNSA-N 2 1 250.430 3.014 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246662479 804485453 /nfs/dbraw/zinc/48/54/53/804485453.db2.gz HNHSBLPNASUHJE-GUDVDZBRSA-N 2 1 286.463 3.457 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246663508 804486649 /nfs/dbraw/zinc/48/66/49/804486649.db2.gz VNWDSXGNALUEMP-OTWHNJEPSA-N 2 1 286.463 3.472 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC001246668531 804487706 /nfs/dbraw/zinc/48/77/06/804487706.db2.gz OILGHQIKHCNQQS-MANSERQUSA-N 2 1 284.447 3.254 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667025 804488518 /nfs/dbraw/zinc/48/85/18/804488518.db2.gz WYQJNTHIAIGYBX-FGTMMUONSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667025 804488521 /nfs/dbraw/zinc/48/85/21/804488521.db2.gz WYQJNTHIAIGYBX-FGTMMUONSA-N 2 1 272.436 3.082 20 0 CGADMP CC1CCC([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246676956 804491337 /nfs/dbraw/zinc/49/13/37/804491337.db2.gz FGGPDFFMYRCCEQ-YZUHTNEWSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246678447 804493242 /nfs/dbraw/zinc/49/32/42/804493242.db2.gz FFZSSEDXXFXCAB-DOTOQJQBSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246681500 804493951 /nfs/dbraw/zinc/49/39/51/804493951.db2.gz OYDFPXIBFMOMQB-DOTOQJQBSA-N 2 1 258.409 3.274 20 0 CGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246690646 804497627 /nfs/dbraw/zinc/49/76/27/804497627.db2.gz KYBIPEPOZMBTIR-JKSUJKDBSA-N 2 1 268.420 3.123 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001246773347 804504529 /nfs/dbraw/zinc/50/45/29/804504529.db2.gz BFMKTHJVDADJOS-AOCRQIFASA-N 2 1 272.436 3.397 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246775949 804506469 /nfs/dbraw/zinc/50/64/69/804506469.db2.gz LJGYVQVWEMKWLQ-GOSISDBHSA-N 2 1 286.463 3.473 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2cccs2)CC[NH2+]1 ZINC001246780344 804508635 /nfs/dbraw/zinc/50/86/35/804508635.db2.gz BXXSUUUZYWKVRW-UONOGXRCSA-N 2 1 266.454 3.491 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2cccs2)CC[NH2+]1 ZINC001246780344 804508639 /nfs/dbraw/zinc/50/86/39/804508639.db2.gz BXXSUUUZYWKVRW-UONOGXRCSA-N 2 1 266.454 3.491 20 0 CGADMP CC1(C)CC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246784765 804510125 /nfs/dbraw/zinc/51/01/25/804510125.db2.gz ZVDROOOCBRABDP-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246783010 804510476 /nfs/dbraw/zinc/51/04/76/804510476.db2.gz VHVPLALYZYXJLI-XBMUEBEBSA-N 2 1 286.463 3.459 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@H](C)[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246790333 804513028 /nfs/dbraw/zinc/51/30/28/804513028.db2.gz NOSVVZHEPQNIGX-BYNSBNAKSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246790346 804513791 /nfs/dbraw/zinc/51/37/91/804513791.db2.gz NOSVVZHEPQNIGX-NPJQDHAYSA-N 2 1 252.446 3.416 20 0 CGADMP Fc1cccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246793965 804517261 /nfs/dbraw/zinc/51/72/61/804517261.db2.gz FMQSVEWTJVIUTA-WFVVYAPDSA-N 2 1 274.383 3.246 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3ccsc3C2)C[C@H](CC)[NH2+]1 ZINC001246800657 804521726 /nfs/dbraw/zinc/52/17/26/804521726.db2.gz XMMRHGBPPKMSPU-QDMKHBRRSA-N 2 1 278.465 3.415 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246803440 804523227 /nfs/dbraw/zinc/52/32/27/804523227.db2.gz KEOOEUHTPBFNIV-SMDDNHRTSA-N 2 1 286.341 3.278 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1Cl)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246809918 804526380 /nfs/dbraw/zinc/52/63/80/804526380.db2.gz JONGNZWNTPCWPZ-ITGUQSILSA-N 2 1 299.245 3.423 20 0 CGADMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246812882 804530490 /nfs/dbraw/zinc/53/04/90/804530490.db2.gz JUVCROWAQOKWEV-BRWVUGGUSA-N 2 1 258.409 3.007 20 0 CGADMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246812882 804530497 /nfs/dbraw/zinc/53/04/97/804530497.db2.gz JUVCROWAQOKWEV-BRWVUGGUSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246814417 804530643 /nfs/dbraw/zinc/53/06/43/804530643.db2.gz PBUIHIOIZCTRON-MSOLQXFVSA-N 2 1 274.452 3.246 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246815586 804532078 /nfs/dbraw/zinc/53/20/78/804532078.db2.gz YSKABYJMVUFEFZ-HNNXBMFYSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC3(CCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246828643 804538596 /nfs/dbraw/zinc/53/85/96/804538596.db2.gz DWXHILVYDLXRQQ-QDMKHBRRSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246835587 804545198 /nfs/dbraw/zinc/54/51/98/804545198.db2.gz KQNZPHUEJAHIDZ-QXSJWSMHSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246835587 804545203 /nfs/dbraw/zinc/54/52/03/804545203.db2.gz KQNZPHUEJAHIDZ-QXSJWSMHSA-N 2 1 250.430 3.029 20 0 CGADMP COCCC[N@@H+]([C@@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001246837498 804545965 /nfs/dbraw/zinc/54/59/65/804545965.db2.gz USUZNWFPECNNKE-INIZCTEOSA-N 2 1 282.472 3.212 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](N)[C@@H](F)C1 ZINC001246839889 804547902 /nfs/dbraw/zinc/54/79/02/804547902.db2.gz ZYVUEGVZWMCLDX-IXDOHACOSA-N 2 1 278.415 3.159 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246842527 804550665 /nfs/dbraw/zinc/55/06/65/804550665.db2.gz CFLHLJIRAOEZKC-XUWVNRHRSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246843564 804552638 /nfs/dbraw/zinc/55/26/38/804552638.db2.gz DKBIZDMKIIYNHS-ZSHCYNCHSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246844616 804553419 /nfs/dbraw/zinc/55/34/19/804553419.db2.gz ZSWJPPWMFIQCPN-ZIAGYGMSSA-N 2 1 280.843 3.202 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246844846 804553694 /nfs/dbraw/zinc/55/36/94/804553694.db2.gz HCPVJVLMSMVJEN-BZSNNMDCSA-N 2 1 286.463 3.328 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001246850463 804559894 /nfs/dbraw/zinc/55/98/94/804559894.db2.gz CFIQMXWBFKVMAJ-INMHGKMJSA-N 2 1 262.441 3.303 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246851089 804560503 /nfs/dbraw/zinc/56/05/03/804560503.db2.gz YKTVOSUQFYDRNC-RISCZKNCSA-N 2 1 296.867 3.180 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1CCC3(CCc4ccccc43)CC1)C2 ZINC001246852675 804561882 /nfs/dbraw/zinc/56/18/82/804561882.db2.gz JNIRRHADKRMFPV-OYGLOCFBSA-N 2 1 296.458 3.236 20 0 CGADMP CC1(C)C[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)CC[NH2+]1 ZINC001246859318 804566210 /nfs/dbraw/zinc/56/62/10/804566210.db2.gz NDJFZDYJYHGHBX-KRWDZBQOSA-N 2 1 270.420 3.306 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246875326 804574703 /nfs/dbraw/zinc/57/47/03/804574703.db2.gz ZZMOZGIKHNQCBS-WMLDXEAASA-N 2 1 270.420 3.108 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2Cc3ccccc3C[C@@H]2C)CC[NH2+]1 ZINC001246875290 804574747 /nfs/dbraw/zinc/57/47/47/804574747.db2.gz ZWJKQDQGDKMKLV-QGTPRVQTSA-N 2 1 272.436 3.210 20 0 CGADMP CCCC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)CCN1 ZINC001246888383 804581208 /nfs/dbraw/zinc/58/12/08/804581208.db2.gz AKWDBMNMIPVMSN-AOCRQIFASA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[C@H]1CN(C2CCC([NH+](CC)CC)CC2)CC[NH2+]1 ZINC001246888383 804581211 /nfs/dbraw/zinc/58/12/11/804581211.db2.gz AKWDBMNMIPVMSN-AOCRQIFASA-N 2 1 295.515 3.103 20 0 CGADMP CSc1ccccc1[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246888855 804581440 /nfs/dbraw/zinc/58/14/40/804581440.db2.gz PSFYJULPXVKKBY-HNNXBMFYSA-N 2 1 276.449 3.297 20 0 CGADMP CCC[N@@H+]([C@@H](C)Cc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246900306 804586772 /nfs/dbraw/zinc/58/67/72/804586772.db2.gz USSAILUEJBGLTB-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCSc3ccccc3C2)CC[NH2+]1 ZINC001246909074 804593765 /nfs/dbraw/zinc/59/37/65/804593765.db2.gz ZIZBLINWSWXHGL-HOTGVXAUSA-N 2 1 290.476 3.371 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCSc3ccccc3C2)CC[NH2+]1 ZINC001246909074 804593767 /nfs/dbraw/zinc/59/37/67/804593767.db2.gz ZIZBLINWSWXHGL-HOTGVXAUSA-N 2 1 290.476 3.371 20 0 CGADMP CCC[N@@H+](CC(C)C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246911975 804594976 /nfs/dbraw/zinc/59/49/76/804594976.db2.gz PSYDSHVJTFLBKT-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246910827 804595493 /nfs/dbraw/zinc/59/54/93/804595493.db2.gz MFBYCEKDSDHHMI-KRWDZBQOSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246910948 804595647 /nfs/dbraw/zinc/59/56/47/804595647.db2.gz NYROXDKXTCRDJG-CYBMUJFWSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246912834 804596767 /nfs/dbraw/zinc/59/67/67/804596767.db2.gz TWJZGWLHFACRKI-WBVHZDCISA-N 2 1 292.442 3.467 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@@H+](CC3CC3)C3CC3)CC[NH2+]2)cc1 ZINC001246915789 804598579 /nfs/dbraw/zinc/59/85/79/804598579.db2.gz YXECUWOFZVWLMZ-IEBWSBKVSA-N 2 1 284.447 3.224 20 0 CGADMP CCCCCC[C@H](C)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927151 804604469 /nfs/dbraw/zinc/60/44/69/804604469.db2.gz GKQNJFHEQFEXNM-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCCC[C@H](C)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927151 804604474 /nfs/dbraw/zinc/60/44/74/804604474.db2.gz GKQNJFHEQFEXNM-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001246929866 804605757 /nfs/dbraw/zinc/60/57/57/804605757.db2.gz HRXUESSEGGEHJI-QRQLOZEOSA-N 2 1 286.463 3.248 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001246933670 804606894 /nfs/dbraw/zinc/60/68/94/804606894.db2.gz AIMNKRKHWMQCJC-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001246941414 804611131 /nfs/dbraw/zinc/61/11/31/804611131.db2.gz JVSAOFXCLZVMFG-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246946253 804614440 /nfs/dbraw/zinc/61/44/40/804614440.db2.gz OLKLGZUAXSXLSH-HOCLYGCPSA-N 2 1 268.420 3.252 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246946253 804614445 /nfs/dbraw/zinc/61/44/45/804614445.db2.gz OLKLGZUAXSXLSH-HOCLYGCPSA-N 2 1 268.420 3.252 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCCC(C)(C)C1 ZINC001246949940 804615824 /nfs/dbraw/zinc/61/58/24/804615824.db2.gz MDNCTBZDRYEEJU-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246967987 804620992 /nfs/dbraw/zinc/62/09/92/804620992.db2.gz QFCPDIOYWSQUSH-MSOLQXFVSA-N 2 1 274.452 3.459 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246971440 804622919 /nfs/dbraw/zinc/62/29/19/804622919.db2.gz BJBVPSRGUYRORY-QXKUPLGCSA-N 2 1 252.446 3.116 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246971438 804623080 /nfs/dbraw/zinc/62/30/80/804623080.db2.gz BJBVPSRGUYRORY-GVRJEKJASA-N 2 1 252.446 3.116 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246977453 804624823 /nfs/dbraw/zinc/62/48/23/804624823.db2.gz DACXKDKYZVMERK-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984545 804628891 /nfs/dbraw/zinc/62/88/91/804628891.db2.gz IYQNVQUHSSMMDA-DLBZAZTESA-N 2 1 297.531 3.207 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984545 804628894 /nfs/dbraw/zinc/62/88/94/804628894.db2.gz IYQNVQUHSSMMDA-DLBZAZTESA-N 2 1 297.531 3.207 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CSc2ccccc2C1 ZINC001246997157 804632671 /nfs/dbraw/zinc/63/26/71/804632671.db2.gz VOVFNASMBFKEPF-HOCLYGCPSA-N 2 1 290.476 3.025 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@](C)(C[NH3+])C2)CC1 ZINC001247003731 804635367 /nfs/dbraw/zinc/63/53/67/804635367.db2.gz PUVFTUKCCCQSRG-UYSNPLJNSA-N 2 1 252.446 3.262 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC001247004675 804635613 /nfs/dbraw/zinc/63/56/13/804635613.db2.gz SQGXCDGFJMFEKJ-RYUDHWBXSA-N 2 1 299.256 3.440 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247013142 804641811 /nfs/dbraw/zinc/64/18/11/804641811.db2.gz FZMULPPMANLYFB-OTWHNJEPSA-N 2 1 286.463 3.472 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC001247015293 804642922 /nfs/dbraw/zinc/64/29/22/804642922.db2.gz HDLYKBLOWDWPQR-NEPJUHHUSA-N 2 1 299.256 3.440 20 0 CGADMP CCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247014561 804643022 /nfs/dbraw/zinc/64/30/22/804643022.db2.gz KZARIZZWSLOHCW-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247014561 804643026 /nfs/dbraw/zinc/64/30/26/804643026.db2.gz KZARIZZWSLOHCW-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH]c2ccc(NCC[C@@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC001165279572 806986310 /nfs/dbraw/zinc/98/63/10/806986310.db2.gz WDZPPVSLXZFRLV-ZDUSSCGKSA-N 2 1 272.396 3.015 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cs1 ZINC001248804578 804999071 /nfs/dbraw/zinc/99/90/71/804999071.db2.gz LWJPRDQUILEUMO-OAHLLOKOSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cs1 ZINC001248804578 804999077 /nfs/dbraw/zinc/99/90/77/804999077.db2.gz LWJPRDQUILEUMO-OAHLLOKOSA-N 2 1 288.416 3.413 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2scnc2c1 ZINC001144737573 805046645 /nfs/dbraw/zinc/04/66/45/805046645.db2.gz XBIIASOAQBLYEH-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2scnc2c1 ZINC001144737573 805046654 /nfs/dbraw/zinc/04/66/54/805046654.db2.gz XBIIASOAQBLYEH-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001257093275 807049668 /nfs/dbraw/zinc/04/96/68/807049668.db2.gz JFWFEMZKEMYWMK-XMTFNYHQSA-N 2 1 294.483 3.283 20 0 CGADMP COc1ccc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@H]3C)c2c1 ZINC001155031532 805527370 /nfs/dbraw/zinc/52/73/70/805527370.db2.gz MIRBADSRMAHQSE-UKRRQHHQSA-N 2 1 299.418 3.291 20 0 CGADMP CCCC[N@@H+](CC)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855159 806992909 /nfs/dbraw/zinc/99/29/09/806992909.db2.gz GIUWAJAWHMOGAB-UHFFFAOYSA-N 2 1 261.413 3.172 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861234 806993609 /nfs/dbraw/zinc/99/36/09/806993609.db2.gz TVPLVODVESPZFY-LSDHHAIUSA-N 2 1 273.424 3.171 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](C)C(F)(F)CC2)CC1 ZINC001257214835 807061939 /nfs/dbraw/zinc/06/19/39/807061939.db2.gz MWNCBVKGNVMIFH-ZDUSSCGKSA-N 2 1 274.399 3.226 20 0 CGADMP CCC(CC)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001257302060 807096578 /nfs/dbraw/zinc/09/65/78/807096578.db2.gz QJRFFUQQOUFFGO-UHFFFAOYSA-N 2 1 261.413 3.137 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257475730 807174470 /nfs/dbraw/zinc/17/44/70/807174470.db2.gz DINVRRUKRABCSC-VSZNYVQBSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257475730 807174474 /nfs/dbraw/zinc/17/44/74/807174474.db2.gz DINVRRUKRABCSC-VSZNYVQBSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001257475730 807174476 /nfs/dbraw/zinc/17/44/76/807174476.db2.gz DINVRRUKRABCSC-VSZNYVQBSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001257475730 807174479 /nfs/dbraw/zinc/17/44/79/807174479.db2.gz DINVRRUKRABCSC-VSZNYVQBSA-N 2 1 296.499 3.244 20 0 CGADMP CCCCC[C@@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257509163 807185372 /nfs/dbraw/zinc/18/53/72/807185372.db2.gz CWRFYTUMQOUUEG-CQSZACIVSA-N 2 1 281.444 3.085 20 0 CGADMP Cc1cc2cc[nH+]c(N3C(C)(C)CC([NH3+])CC3(C)C)c2[nH]1 ZINC001167626023 807218606 /nfs/dbraw/zinc/21/86/06/807218606.db2.gz UKTGMRQVIRWUFZ-UHFFFAOYSA-N 2 1 286.423 3.356 20 0 CGADMP COC(=[NH2+])c1cccc(NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001167753552 807241907 /nfs/dbraw/zinc/24/19/07/807241907.db2.gz PPVUCQUMGUABCN-AWEZNQCLSA-N 2 1 289.423 3.335 20 0 CGADMP COC(=[NH2+])c1cccc(NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001167753552 807241916 /nfs/dbraw/zinc/24/19/16/807241916.db2.gz PPVUCQUMGUABCN-AWEZNQCLSA-N 2 1 289.423 3.335 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001167788175 807252452 /nfs/dbraw/zinc/25/24/52/807252452.db2.gz QRWAOCRDSNNFLQ-MRXNPFEDSA-N 2 1 296.418 3.003 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@@H]2CC[N@H+](C)C2)cc1 ZINC001167788175 807252458 /nfs/dbraw/zinc/25/24/58/807252458.db2.gz QRWAOCRDSNNFLQ-MRXNPFEDSA-N 2 1 296.418 3.003 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](C(F)F)C1 ZINC001167824743 807255563 /nfs/dbraw/zinc/25/55/63/807255563.db2.gz GESCLSLMHRMPMO-KGLIPLIRSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1C(C)(C)OC ZINC001167827477 807255961 /nfs/dbraw/zinc/25/59/61/807255961.db2.gz WOUICTNIQDWBAA-JKSUJKDBSA-N 2 1 284.488 3.386 20 0 CGADMP CCN(CC)CC[N@@H+](CC)[C@H](C)CCC[NH+](CC)CC ZINC001167827595 807257301 /nfs/dbraw/zinc/25/73/01/807257301.db2.gz XPOPAGUOSNJFSJ-QGZVFWFLSA-N 2 1 285.520 3.161 20 0 CGADMP CCN(CC[NH+](CC)CC)[C@H](C)CCC[NH+](CC)CC ZINC001167827595 807257304 /nfs/dbraw/zinc/25/73/04/807257304.db2.gz XPOPAGUOSNJFSJ-QGZVFWFLSA-N 2 1 285.520 3.161 20 0 CGADMP Cc1c(F)cccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258003892 807262770 /nfs/dbraw/zinc/26/27/70/807262770.db2.gz YXBOLZQCMFDSFG-UHFFFAOYSA-N 2 1 278.415 3.344 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccnc1 ZINC001258003849 807263612 /nfs/dbraw/zinc/26/36/12/807263612.db2.gz VWLUCWXKASMHCE-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001258013438 807266406 /nfs/dbraw/zinc/26/64/06/807266406.db2.gz QYHAHIUTRXHPNM-HIFRSBDPSA-N 2 1 286.410 3.084 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC3(CCCC3)C2)CC1 ZINC001258014204 807266829 /nfs/dbraw/zinc/26/68/29/807266829.db2.gz FLVLZOPVMHSPJS-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001258016449 807266986 /nfs/dbraw/zinc/26/69/86/807266986.db2.gz ICCHIXYKVXFWPE-GASCZTMLSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258062568 807283433 /nfs/dbraw/zinc/28/34/33/807283433.db2.gz KLYPQMRGKBHKDW-UONOGXRCSA-N 2 1 251.418 3.408 20 0 CGADMP CC(C)(C)OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975427 807291201 /nfs/dbraw/zinc/29/12/01/807291201.db2.gz PARIYOIPHPLZIG-ALOPSCKCSA-N 2 1 294.483 3.187 20 0 CGADMP CCN(Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995132 807294113 /nfs/dbraw/zinc/29/41/13/807294113.db2.gz XJLSKFLWEJPLEI-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[N@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995132 807294122 /nfs/dbraw/zinc/29/41/22/807294122.db2.gz XJLSKFLWEJPLEI-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[N@@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995132 807294131 /nfs/dbraw/zinc/29/41/31/807294131.db2.gz XJLSKFLWEJPLEI-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[NH+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995132 807294140 /nfs/dbraw/zinc/29/41/40/807294140.db2.gz XJLSKFLWEJPLEI-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[NH+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995132 807294149 /nfs/dbraw/zinc/29/41/49/807294149.db2.gz XJLSKFLWEJPLEI-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258076538 807294419 /nfs/dbraw/zinc/29/44/19/807294419.db2.gz FUHYOMQCORCOMX-VVLHAWIVSA-N 2 1 266.473 3.331 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258076538 807294426 /nfs/dbraw/zinc/29/44/26/807294426.db2.gz FUHYOMQCORCOMX-VVLHAWIVSA-N 2 1 266.473 3.331 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258076538 807294433 /nfs/dbraw/zinc/29/44/33/807294433.db2.gz FUHYOMQCORCOMX-VVLHAWIVSA-N 2 1 266.473 3.331 20 0 CGADMP C[N@@H+](CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995857 807295129 /nfs/dbraw/zinc/29/51/29/807295129.db2.gz SOPZHMLECSFSPG-XYPWUTKMSA-N 2 1 264.457 3.370 20 0 CGADMP C[NH+](CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995857 807295133 /nfs/dbraw/zinc/29/51/33/807295133.db2.gz SOPZHMLECSFSPG-XYPWUTKMSA-N 2 1 264.457 3.370 20 0 CGADMP C[NH+](CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995857 807295139 /nfs/dbraw/zinc/29/51/39/807295139.db2.gz SOPZHMLECSFSPG-XYPWUTKMSA-N 2 1 264.457 3.370 20 0 CGADMP CCC[N@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141342 807319314 /nfs/dbraw/zinc/31/93/14/807319314.db2.gz ZDBCQWUECDDXLX-UHFFFAOYSA-N 2 1 260.425 3.035 20 0 CGADMP CCC[N@@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141342 807319321 /nfs/dbraw/zinc/31/93/21/807319321.db2.gz ZDBCQWUECDDXLX-UHFFFAOYSA-N 2 1 260.425 3.035 20 0 CGADMP C[C@H](Cc1ccco1)[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001258176384 807342701 /nfs/dbraw/zinc/34/27/01/807342701.db2.gz SSTIRDKBZGVHQQ-CRAIPNDOSA-N 2 1 286.419 3.493 20 0 CGADMP C[C@H](Cc1ccco1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258182358 807346879 /nfs/dbraw/zinc/34/68/79/807346879.db2.gz NXRTXUCSWQPFFJ-IIAWOOMASA-N 2 1 276.424 3.335 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccco2)CC1 ZINC001258197833 807358022 /nfs/dbraw/zinc/35/80/22/807358022.db2.gz SHWSECRYKDKTSK-OAHLLOKOSA-N 2 1 278.440 3.407 20 0 CGADMP CSCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258217176 807369579 /nfs/dbraw/zinc/36/95/79/807369579.db2.gz LWYHNPZKKBVRKX-HNNXBMFYSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001168326941 807385219 /nfs/dbraw/zinc/38/52/19/807385219.db2.gz FTONYMSRGKALBI-OFLPRAFFSA-N 2 1 258.409 3.306 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)C1CCC([NH+](C)C)CC1 ZINC001168327547 807385660 /nfs/dbraw/zinc/38/56/60/807385660.db2.gz OJSIOULQTDWMGF-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(F)c1 ZINC001168356329 807392624 /nfs/dbraw/zinc/39/26/24/807392624.db2.gz OYAVSQMGAVETIU-CYBMUJFWSA-N 2 1 276.399 3.351 20 0 CGADMP c1cc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2o1 ZINC001168363369 807393477 /nfs/dbraw/zinc/39/34/77/807393477.db2.gz YVXYJIQAQCNMBR-UHFFFAOYSA-N 2 1 284.403 3.397 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCC(C)(C)C1 ZINC001258291536 807400429 /nfs/dbraw/zinc/40/04/29/807400429.db2.gz MWJYSHPPJMBNKO-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@@H+]([C@H]1CCc2ccccc21)C1CC[NH+](CC2CC2)CC1 ZINC001168398812 807404599 /nfs/dbraw/zinc/40/45/99/807404599.db2.gz WBFGVYUMYMLFCN-IBGZPJMESA-N 2 1 284.447 3.480 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001258303660 807404851 /nfs/dbraw/zinc/40/48/51/807404851.db2.gz VZEHVNFPZQTRGX-UONOGXRCSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001258303660 807404858 /nfs/dbraw/zinc/40/48/58/807404858.db2.gz VZEHVNFPZQTRGX-UONOGXRCSA-N 2 1 296.480 3.493 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3ccccc31)C2 ZINC001169077862 807567523 /nfs/dbraw/zinc/56/75/23/807567523.db2.gz AUPBXWPCZMUDAS-XLMAVXFVSA-N 2 1 270.420 3.279 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC001169091649 807570795 /nfs/dbraw/zinc/57/07/95/807570795.db2.gz UDPYJKODABYAFV-MPRMOMGISA-N 2 1 274.452 3.026 20 0 CGADMP CCCC[NH+](CCCC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169089923 807570853 /nfs/dbraw/zinc/57/08/53/807570853.db2.gz GSKRKNDAFPJCSV-NNZMDNLPSA-N 2 1 295.515 3.103 20 0 CGADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC001169091751 807570877 /nfs/dbraw/zinc/57/08/77/807570877.db2.gz UUSWFBAPFUCHNI-BTTYYORXSA-N 2 1 294.826 3.063 20 0 CGADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001169091751 807570881 /nfs/dbraw/zinc/57/08/81/807570881.db2.gz UUSWFBAPFUCHNI-BTTYYORXSA-N 2 1 294.826 3.063 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1C(F)F)C2 ZINC001169096170 807573708 /nfs/dbraw/zinc/57/37/08/807573708.db2.gz VKODNOXFKHYEAW-ZSOGYDGISA-N 2 1 280.362 3.339 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC001169098092 807576033 /nfs/dbraw/zinc/57/60/33/807576033.db2.gz FVIFZUPILJTUMI-QDMKHBRRSA-N 2 1 270.376 3.148 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC001169098092 807576037 /nfs/dbraw/zinc/57/60/37/807576037.db2.gz FVIFZUPILJTUMI-QDMKHBRRSA-N 2 1 270.376 3.148 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169114094 807580583 /nfs/dbraw/zinc/58/05/83/807580583.db2.gz XBNJHNWCLAEMJY-BOXKHOIUSA-N 2 1 264.457 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCOc1ccccc1)C2 ZINC001169125035 807585832 /nfs/dbraw/zinc/58/58/32/807585832.db2.gz WJSYLYAQYWDJTC-BJWYYQGGSA-N 2 1 288.435 3.060 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001169125404 807586206 /nfs/dbraw/zinc/58/62/06/807586206.db2.gz HSYWMASORLTTRP-MXASKKJJSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001169125404 807586209 /nfs/dbraw/zinc/58/62/09/807586209.db2.gz HSYWMASORLTTRP-MXASKKJJSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001169125404 807586213 /nfs/dbraw/zinc/58/62/13/807586213.db2.gz HSYWMASORLTTRP-MXASKKJJSA-N 2 1 270.420 3.231 20 0 CGADMP COc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1C ZINC001169141705 807588636 /nfs/dbraw/zinc/58/86/36/807588636.db2.gz KHIJNLWLOMCJBW-CXAGYDPISA-N 2 1 291.439 3.354 20 0 CGADMP COc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1C ZINC001169141706 807588952 /nfs/dbraw/zinc/58/89/52/807588952.db2.gz KHIJNLWLOMCJBW-DYVFJYSZSA-N 2 1 291.439 3.354 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3c3c1CC[NH2+]C3)C2 ZINC001169140098 807589259 /nfs/dbraw/zinc/58/92/59/807589259.db2.gz HKSSJIMZMHUISR-FICVDOATSA-N 2 1 295.430 3.085 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)=O)cc2)CC1 ZINC001258769604 807603529 /nfs/dbraw/zinc/60/35/29/807603529.db2.gz XNYQFSGBXOIMKG-AWEZNQCLSA-N 2 1 288.435 3.414 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(Cc3cccc(F)c3)CCC2)CC1 ZINC001169240145 807613210 /nfs/dbraw/zinc/61/32/10/807613210.db2.gz FZXHZVRDGSRQSN-UHFFFAOYSA-N 2 1 290.426 3.365 20 0 CGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC001258826091 807639409 /nfs/dbraw/zinc/63/94/09/807639409.db2.gz HKDWMYILRIGLBQ-JQHSSLGASA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001258826301 807639946 /nfs/dbraw/zinc/63/99/46/807639946.db2.gz CLAXOSGXWTYCQT-BBRMVZONSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001258825441 807640352 /nfs/dbraw/zinc/64/03/52/807640352.db2.gz CSKUGEMPKBDDNL-YJBOKZPZSA-N 2 1 294.483 3.140 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258838694 807652414 /nfs/dbraw/zinc/65/24/14/807652414.db2.gz GONNXXUXRCNFHE-BZSNNMDCSA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258852030 807659613 /nfs/dbraw/zinc/65/96/13/807659613.db2.gz WGERLXOACJOGRQ-GOSISDBHSA-N 2 1 286.463 3.425 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001258907171 807672540 /nfs/dbraw/zinc/67/25/40/807672540.db2.gz GUJSMZKCPNAZIV-KGLIPLIRSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001258907171 807672542 /nfs/dbraw/zinc/67/25/42/807672542.db2.gz GUJSMZKCPNAZIV-KGLIPLIRSA-N 2 1 276.415 3.474 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccn2C2CC2)C1 ZINC001261255226 807721904 /nfs/dbraw/zinc/72/19/04/807721904.db2.gz QJLAJSYRPHFGDU-MRXNPFEDSA-N 2 1 289.467 3.281 20 0 CGADMP CC[NH+](CC)C1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001261261167 807724221 /nfs/dbraw/zinc/72/42/21/807724221.db2.gz LMDYHVJEONSNED-SFHVURJKSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170071512 807746682 /nfs/dbraw/zinc/74/66/82/807746682.db2.gz PXZJPUTTZUXWQY-BZUAXINKSA-N 2 1 282.472 3.172 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001170082614 807750781 /nfs/dbraw/zinc/75/07/81/807750781.db2.gz MAJITOQAAQYGQC-HNNXBMFYSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC001170113443 807761283 /nfs/dbraw/zinc/76/12/83/807761283.db2.gz PEWMGOFMURINGS-INMHGKMJSA-N 2 1 260.425 3.272 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001170117537 807764092 /nfs/dbraw/zinc/76/40/92/807764092.db2.gz LQDISOFJCHSXKK-RRFJBIMHSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001170117537 807764088 /nfs/dbraw/zinc/76/40/88/807764088.db2.gz LQDISOFJCHSXKK-RRFJBIMHSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170117574 807764330 /nfs/dbraw/zinc/76/43/30/807764330.db2.gz MGLKQSWTXKGVBK-VDHUWJSZSA-N 2 1 287.451 3.342 20 0 CGADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001261836579 807793124 /nfs/dbraw/zinc/79/31/24/807793124.db2.gz GZOACQSYZJZZBD-RHSMWYFYSA-N 2 1 290.426 3.393 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CCO1 ZINC001170233902 807798088 /nfs/dbraw/zinc/79/80/88/807798088.db2.gz HJLNTEJBXCIWEA-WNRNVDISSA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@@H]1C[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001170233902 807798094 /nfs/dbraw/zinc/79/80/94/807798094.db2.gz HJLNTEJBXCIWEA-WNRNVDISSA-N 2 1 294.483 3.283 20 0 CGADMP CC[C@@H]1C[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CCO1 ZINC001170233902 807798098 /nfs/dbraw/zinc/79/80/98/807798098.db2.gz HJLNTEJBXCIWEA-WNRNVDISSA-N 2 1 294.483 3.283 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170941416 807939689 /nfs/dbraw/zinc/93/96/89/807939689.db2.gz DPGFPWDFSVBYMR-OAHLLOKOSA-N 2 1 294.870 3.471 20 0 CGADMP CC[N@H+]1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C(C)(C)C1 ZINC001171641678 808110765 /nfs/dbraw/zinc/11/07/65/808110765.db2.gz SWRACSSBWQPUIK-UHFFFAOYSA-N 2 1 295.515 3.054 20 0 CGADMP CO[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171639751 808110806 /nfs/dbraw/zinc/11/08/06/808110806.db2.gz RSGIOFNCSLUCFV-HNNXBMFYSA-N 2 1 282.472 3.139 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CCc1ccc(C)cc1 ZINC001171657075 808112859 /nfs/dbraw/zinc/11/28/59/808112859.db2.gz AHYFSYKELXJAKY-CQSZACIVSA-N 2 1 271.408 3.195 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171658095 808114102 /nfs/dbraw/zinc/11/41/02/808114102.db2.gz OHKZDSILJSKNCS-OAHLLOKOSA-N 2 1 271.408 3.111 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001171959901 808160164 /nfs/dbraw/zinc/16/01/64/808160164.db2.gz JEVICQYFTVJZEN-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001171959901 808160166 /nfs/dbraw/zinc/16/01/66/808160166.db2.gz JEVICQYFTVJZEN-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC001172098490 808170435 /nfs/dbraw/zinc/17/04/35/808170435.db2.gz ACWZBGMDMGRZKL-BTTYYORXSA-N 2 1 280.362 3.070 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172099488 808171376 /nfs/dbraw/zinc/17/13/76/808171376.db2.gz IMBYAWISIQCMLH-OSYLJGHBSA-N 2 1 258.409 3.100 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100622 808172310 /nfs/dbraw/zinc/17/23/10/808172310.db2.gz QQUPRUGPXLXQGQ-BJWYYQGGSA-N 2 1 258.409 3.100 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c(C[NH3+])cc3ccccc31)C2 ZINC001172100569 808172676 /nfs/dbraw/zinc/17/26/76/808172676.db2.gz FGFUALDWRUUWKF-MUJYYYPQSA-N 2 1 283.419 3.288 20 0 CGADMP COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102820 808173929 /nfs/dbraw/zinc/17/39/29/808173929.db2.gz PDOZUUSZWOFLSB-MXASKKJJSA-N 2 1 288.435 3.361 20 0 CGADMP COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102820 808173932 /nfs/dbraw/zinc/17/39/32/808173932.db2.gz PDOZUUSZWOFLSB-MXASKKJJSA-N 2 1 288.435 3.361 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104143 808173992 /nfs/dbraw/zinc/17/39/92/808173992.db2.gz DCRCYUNOTHOULT-ZJPYXAASSA-N 3 1 295.515 3.102 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104143 808173993 /nfs/dbraw/zinc/17/39/93/808173993.db2.gz DCRCYUNOTHOULT-ZJPYXAASSA-N 3 1 295.515 3.102 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(F)cc31)C2 ZINC001172106509 808177349 /nfs/dbraw/zinc/17/73/49/808177349.db2.gz PTKQLDJRQGMUCL-XLMAVXFVSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(F)cc31)C2 ZINC001172106509 808177351 /nfs/dbraw/zinc/17/73/51/808177351.db2.gz PTKQLDJRQGMUCL-XLMAVXFVSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C2 ZINC001172112169 808177788 /nfs/dbraw/zinc/17/77/88/808177788.db2.gz SXQAGSKNIRXJJB-TUVASFSCSA-N 2 1 286.410 3.417 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001172111255 808178772 /nfs/dbraw/zinc/17/87/72/808178772.db2.gz QWLFLNALSVFVFD-FLXSYLCISA-N 2 1 288.410 3.287 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001172111255 808178776 /nfs/dbraw/zinc/17/87/76/808178776.db2.gz QWLFLNALSVFVFD-FLXSYLCISA-N 2 1 288.410 3.287 20 0 CGADMP C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120208 808182083 /nfs/dbraw/zinc/18/20/83/808182083.db2.gz ARSDCILSCGDMIX-QDMKHBRRSA-N 2 1 293.842 3.182 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120208 808182086 /nfs/dbraw/zinc/18/20/86/808182086.db2.gz ARSDCILSCGDMIX-QDMKHBRRSA-N 2 1 293.842 3.182 20 0 CGADMP C[NH+](Cc1ccc(Cl)nc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120208 808182088 /nfs/dbraw/zinc/18/20/88/808182088.db2.gz ARSDCILSCGDMIX-QDMKHBRRSA-N 2 1 293.842 3.182 20 0 CGADMP C[NH+](Cc1ccc(Cl)nc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120208 808182092 /nfs/dbraw/zinc/18/20/92/808182092.db2.gz ARSDCILSCGDMIX-QDMKHBRRSA-N 2 1 293.842 3.182 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3ccncc3)CC1)C2 ZINC001172120527 808182576 /nfs/dbraw/zinc/18/25/76/808182576.db2.gz FZFCGVZUAXNJES-REPLKXPHSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3ccncc3)CC1)C2 ZINC001172120527 808182580 /nfs/dbraw/zinc/18/25/80/808182580.db2.gz FZFCGVZUAXNJES-REPLKXPHSA-N 2 1 299.462 3.276 20 0 CGADMP COc1ccccc1C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120890 808184353 /nfs/dbraw/zinc/18/43/53/808184353.db2.gz GXGOZDAUXXDPKB-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccccc1C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120890 808184356 /nfs/dbraw/zinc/18/43/56/808184356.db2.gz GXGOZDAUXXDPKB-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccccc1C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120890 808184357 /nfs/dbraw/zinc/18/43/57/808184357.db2.gz GXGOZDAUXXDPKB-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001172126526 808185011 /nfs/dbraw/zinc/18/50/11/808185011.db2.gz WRXDMJCKWKYFTL-LEOABGAYSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001172126526 808185014 /nfs/dbraw/zinc/18/50/14/808185014.db2.gz WRXDMJCKWKYFTL-LEOABGAYSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC001172126526 808185021 /nfs/dbraw/zinc/18/50/21/808185021.db2.gz WRXDMJCKWKYFTL-LEOABGAYSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC001172126526 808185024 /nfs/dbraw/zinc/18/50/24/808185024.db2.gz WRXDMJCKWKYFTL-LEOABGAYSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128245 808186633 /nfs/dbraw/zinc/18/66/33/808186633.db2.gz QHHXEULWYZYAHJ-DQEVTTJGSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128245 808186635 /nfs/dbraw/zinc/18/66/35/808186635.db2.gz QHHXEULWYZYAHJ-DQEVTTJGSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128245 808186639 /nfs/dbraw/zinc/18/66/39/808186639.db2.gz QHHXEULWYZYAHJ-DQEVTTJGSA-N 2 1 284.447 3.449 20 0 CGADMP C[N@@H+](Cc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123252 808187128 /nfs/dbraw/zinc/18/71/28/808187128.db2.gz YUZSCHQBGGMQQP-WDNDVIMCSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123252 808187131 /nfs/dbraw/zinc/18/71/31/808187131.db2.gz YUZSCHQBGGMQQP-WDNDVIMCSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123252 808187135 /nfs/dbraw/zinc/18/71/35/808187135.db2.gz YUZSCHQBGGMQQP-WDNDVIMCSA-N 2 1 264.438 3.195 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128250 808187174 /nfs/dbraw/zinc/18/71/74/808187174.db2.gz QHHXEULWYZYAHJ-OAOYMFHYSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128250 808187175 /nfs/dbraw/zinc/18/71/75/808187175.db2.gz QHHXEULWYZYAHJ-OAOYMFHYSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128250 808187177 /nfs/dbraw/zinc/18/71/77/808187177.db2.gz QHHXEULWYZYAHJ-OAOYMFHYSA-N 2 1 284.447 3.449 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CSc3ccccc3C2)CC1 ZINC001172200696 808196411 /nfs/dbraw/zinc/19/64/11/808196411.db2.gz CHQKSCUZPZSQMJ-MRXNPFEDSA-N 2 1 290.476 3.120 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CSc3ccccc3C2)CC1 ZINC001172200696 808196412 /nfs/dbraw/zinc/19/64/12/808196412.db2.gz CHQKSCUZPZSQMJ-MRXNPFEDSA-N 2 1 290.476 3.120 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@@H]1C ZINC001172365660 808261162 /nfs/dbraw/zinc/26/11/62/808261162.db2.gz AOCDGLCGSRBYKD-HLLBOEOZSA-N 2 1 287.451 3.156 20 0 CGADMP CCCCCC[C@@H](CCC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172390496 808281531 /nfs/dbraw/zinc/28/15/31/808281531.db2.gz MMWXHJJCUBKZCA-GOSISDBHSA-N 2 1 297.531 3.353 20 0 CGADMP CC[C@@H](CC(C)C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172407506 808295739 /nfs/dbraw/zinc/29/57/39/808295739.db2.gz OAXSHAORZLIRRQ-FUHWJXTLSA-N 2 1 296.499 3.386 20 0 CGADMP CC(C)OCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172432447 808310550 /nfs/dbraw/zinc/31/05/50/808310550.db2.gz AZZRFPCGQSPVIQ-CVEARBPZSA-N 2 1 270.461 3.044 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172517181 808369412 /nfs/dbraw/zinc/36/94/12/808369412.db2.gz PNXYBVKYKZKAEJ-CVEARBPZSA-N 2 1 270.461 3.175 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172517181 808369420 /nfs/dbraw/zinc/36/94/20/808369420.db2.gz PNXYBVKYKZKAEJ-CVEARBPZSA-N 2 1 270.461 3.175 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537867 808370204 /nfs/dbraw/zinc/37/02/04/808370204.db2.gz WWRCZNQEESYMMS-DJIMGWMZSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)[C@@H](C)C1 ZINC001172654639 808409145 /nfs/dbraw/zinc/40/91/45/808409145.db2.gz JGIPABNRYUWJLI-HOCLYGCPSA-N 2 1 296.499 3.431 20 0 CGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001172817601 808443786 /nfs/dbraw/zinc/44/37/86/808443786.db2.gz YHISRWOTMBPCTQ-JLAWEPINSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172819698 808444870 /nfs/dbraw/zinc/44/48/70/808444870.db2.gz JXVINMVXXLGZJJ-ZLPCBKJTSA-N 2 1 274.452 3.315 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1CC[NH+](C)CC1 ZINC001172836324 808452475 /nfs/dbraw/zinc/45/24/75/808452475.db2.gz CCXILYPWKMLWMT-NSHDSACASA-N 2 1 284.806 3.094 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001172926784 808484336 /nfs/dbraw/zinc/48/43/36/808484336.db2.gz SJXQVCNEOFOAOP-BZSNNMDCSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001172926784 808484341 /nfs/dbraw/zinc/48/43/41/808484341.db2.gz SJXQVCNEOFOAOP-BZSNNMDCSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172926982 808484473 /nfs/dbraw/zinc/48/44/73/808484473.db2.gz DLXHOQYGOKTBGZ-QSPRXWTASA-N 2 1 280.456 3.068 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001173234630 808545131 /nfs/dbraw/zinc/54/51/31/808545131.db2.gz CMJDFRLPPLDJQP-QAPCUYQASA-N 2 1 274.452 3.111 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC001173248268 808554539 /nfs/dbraw/zinc/55/45/39/808554539.db2.gz SZRHJTQKYCQQJQ-MRXNPFEDSA-N 2 1 276.468 3.454 20 0 CGADMP CCSC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001173291304 808591185 /nfs/dbraw/zinc/59/11/85/808591185.db2.gz KZKGXDRYEXZVDL-HOCLYGCPSA-N 2 1 280.481 3.411 20 0 CGADMP CCSC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001173291305 808591401 /nfs/dbraw/zinc/59/14/01/808591401.db2.gz KZKGXDRYEXZVDL-ZBFHGGJFSA-N 2 1 280.481 3.411 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001173543939 808646339 /nfs/dbraw/zinc/64/63/39/808646339.db2.gz OMZPJBWLEFZMGX-CMPLNLGQSA-N 2 1 287.234 3.348 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001173543939 808646342 /nfs/dbraw/zinc/64/63/42/808646342.db2.gz OMZPJBWLEFZMGX-CMPLNLGQSA-N 2 1 287.234 3.348 20 0 CGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(F)c1F ZINC001275001497 808897603 /nfs/dbraw/zinc/89/76/03/808897603.db2.gz GZJBTJYGZWPTCZ-GASCZTMLSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(F)c1F ZINC001275001497 808897610 /nfs/dbraw/zinc/89/76/10/808897610.db2.gz GZJBTJYGZWPTCZ-GASCZTMLSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(F)c1F ZINC001275001497 808897615 /nfs/dbraw/zinc/89/76/15/808897615.db2.gz GZJBTJYGZWPTCZ-GASCZTMLSA-N 2 1 294.389 3.047 20 0 CGADMP CC(C)=CCC[C@H](C)C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275058610 808901471 /nfs/dbraw/zinc/90/14/71/808901471.db2.gz VXDNZVFNCSGPSP-HNNXBMFYSA-N 2 1 250.430 3.006 20 0 CGADMP CC(C)=CCC[C@H](C)C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275058610 808901477 /nfs/dbraw/zinc/90/14/77/808901477.db2.gz VXDNZVFNCSGPSP-HNNXBMFYSA-N 2 1 250.430 3.006 20 0 CGADMP CCC[C@H](C)C[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275072839 808905056 /nfs/dbraw/zinc/90/50/56/808905056.db2.gz IPUSPLZRMQTJDX-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP CCC[C@H](C)C[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275072839 808905063 /nfs/dbraw/zinc/90/50/63/808905063.db2.gz IPUSPLZRMQTJDX-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP C(C1CC1)[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275138231 808915894 /nfs/dbraw/zinc/91/58/94/808915894.db2.gz MRQFFDQRGDSYFW-KRWDZBQOSA-N 2 1 262.441 3.127 20 0 CGADMP C(C1CC1)[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275138231 808915899 /nfs/dbraw/zinc/91/58/99/808915899.db2.gz MRQFFDQRGDSYFW-KRWDZBQOSA-N 2 1 262.441 3.127 20 0 CGADMP C(C1CC1)[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275138231 808915903 /nfs/dbraw/zinc/91/59/03/808915903.db2.gz MRQFFDQRGDSYFW-KRWDZBQOSA-N 2 1 262.441 3.127 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc(Cl)ccc3C)(C1)CCC2 ZINC001275265155 808924340 /nfs/dbraw/zinc/92/43/40/808924340.db2.gz JGLHRDQGPASMEZ-JKSUJKDBSA-N 2 1 293.842 3.198 20 0 CGADMP Cc1ccccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275278825 808925468 /nfs/dbraw/zinc/92/54/68/808925468.db2.gz PMBRWMWSTRAPMC-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275278825 808925474 /nfs/dbraw/zinc/92/54/74/808925474.db2.gz PMBRWMWSTRAPMC-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP c1c[nH]c(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001275854748 808971192 /nfs/dbraw/zinc/97/11/92/808971192.db2.gz GHKRICXQUMAMDS-UHFFFAOYSA-N 2 1 287.451 3.245 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc3ccccc3cn1)CC2 ZINC001275890700 808973656 /nfs/dbraw/zinc/97/36/56/808973656.db2.gz JIZWRHKRIGDCMJ-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1c(F)ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1F ZINC001276019665 808984886 /nfs/dbraw/zinc/98/48/86/808984886.db2.gz SVQNFNDMNZPHRK-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001276054582 808986191 /nfs/dbraw/zinc/98/61/91/808986191.db2.gz MIOLHOSAOJNOOG-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001276054582 808986194 /nfs/dbraw/zinc/98/61/94/808986194.db2.gz MIOLHOSAOJNOOG-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001276054582 808986200 /nfs/dbraw/zinc/98/62/00/808986200.db2.gz MIOLHOSAOJNOOG-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP c1nocc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001276253948 808997054 /nfs/dbraw/zinc/99/70/54/808997054.db2.gz RJKHZPAIYMJAOE-DLBZAZTESA-N 2 1 289.423 3.142 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC001276293435 808999237 /nfs/dbraw/zinc/99/92/37/808999237.db2.gz CONLPDJIFMRACF-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC001276293435 808999244 /nfs/dbraw/zinc/99/92/44/808999244.db2.gz CONLPDJIFMRACF-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(C)n1 ZINC001276418771 809007159 /nfs/dbraw/zinc/00/71/59/809007159.db2.gz KTIDWDNHNCQRAA-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(C)n1 ZINC001276418771 809007163 /nfs/dbraw/zinc/00/71/63/809007163.db2.gz KTIDWDNHNCQRAA-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(C)n1 ZINC001276418771 809007168 /nfs/dbraw/zinc/00/71/68/809007168.db2.gz KTIDWDNHNCQRAA-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(C)n1 ZINC001276418771 809007174 /nfs/dbraw/zinc/00/71/74/809007174.db2.gz KTIDWDNHNCQRAA-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC[N@@H+](C)C3)CC2)o1 ZINC001276470407 809010807 /nfs/dbraw/zinc/01/08/07/809010807.db2.gz OBAUKFZWZFSORP-HNNXBMFYSA-N 2 1 290.451 3.499 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)CC1 ZINC001276473038 809012986 /nfs/dbraw/zinc/01/29/86/809012986.db2.gz UIEHIJNADUUQLN-IAGOWNOFSA-N 2 1 276.468 3.397 20 0 CGADMP C(C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1)C1CC1 ZINC001276512918 809014053 /nfs/dbraw/zinc/01/40/53/809014053.db2.gz DYSGEAFOEITTLJ-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP C(C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1)C1CC1 ZINC001276512918 809014059 /nfs/dbraw/zinc/01/40/59/809014059.db2.gz DYSGEAFOEITTLJ-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1F ZINC001276537049 809015447 /nfs/dbraw/zinc/01/54/47/809015447.db2.gz BBGGWCOKMIVKBZ-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1F ZINC001276537049 809015455 /nfs/dbraw/zinc/01/54/55/809015455.db2.gz BBGGWCOKMIVKBZ-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP Cc1ccc2c(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c[nH]c2c1 ZINC001276753895 809029585 /nfs/dbraw/zinc/02/95/85/809029585.db2.gz PWIHNJVDWUKPKD-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c[nH]c2c1 ZINC001276753895 809029593 /nfs/dbraw/zinc/02/95/93/809029593.db2.gz PWIHNJVDWUKPKD-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c[nH]c2c1 ZINC001276753895 809029597 /nfs/dbraw/zinc/02/95/97/809029597.db2.gz PWIHNJVDWUKPKD-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3occc31)C2 ZINC001276789727 809032021 /nfs/dbraw/zinc/03/20/21/809032021.db2.gz KQNWAXCXNZUCTH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3occc31)C2 ZINC001276789727 809032031 /nfs/dbraw/zinc/03/20/31/809032031.db2.gz KQNWAXCXNZUCTH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3occc31)C2 ZINC001276789727 809032036 /nfs/dbraw/zinc/03/20/36/809032036.db2.gz KQNWAXCXNZUCTH-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP c1cc(N2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cc[nH+]1 ZINC001277693795 809088611 /nfs/dbraw/zinc/08/86/11/809088611.db2.gz MNRDXHPSSOEAKY-UHFFFAOYSA-N 2 1 285.435 3.317 20 0 CGADMP C[NH+](C)Cc1ccc(Nc2c[nH+]c3ccccn23)cc1 ZINC001176292776 809663994 /nfs/dbraw/zinc/66/39/94/809663994.db2.gz WKXKPHJQPOXQAI-UHFFFAOYSA-N 2 1 266.348 3.140 20 0 CGADMP CCC(CC)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177009194 809774820 /nfs/dbraw/zinc/77/48/20/809774820.db2.gz ZQZZBONVOQIARF-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP CCC(CC)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177009194 809774823 /nfs/dbraw/zinc/77/48/23/809774823.db2.gz ZQZZBONVOQIARF-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP CCC(CC)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177009194 809774826 /nfs/dbraw/zinc/77/48/26/809774826.db2.gz ZQZZBONVOQIARF-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP CCC(CC)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001177295011 809792428 /nfs/dbraw/zinc/79/24/28/809792428.db2.gz WDIVVOOWLCTFSI-GASCZTMLSA-N 2 1 254.462 3.380 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001177474636 809800351 /nfs/dbraw/zinc/80/03/51/809800351.db2.gz DCQCWOLTRZGCTC-ALYAQQCSSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001177474636 809800354 /nfs/dbraw/zinc/80/03/54/809800354.db2.gz DCQCWOLTRZGCTC-ALYAQQCSSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001177542868 809806602 /nfs/dbraw/zinc/80/66/02/809806602.db2.gz VIVYTESHSUEEKM-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC001180030462 809968137 /nfs/dbraw/zinc/96/81/37/809968137.db2.gz MHIFMUSXRVHZME-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC001180030462 809968141 /nfs/dbraw/zinc/96/81/41/809968141.db2.gz MHIFMUSXRVHZME-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC001180030462 809968146 /nfs/dbraw/zinc/96/81/46/809968146.db2.gz MHIFMUSXRVHZME-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001181514696 810057568 /nfs/dbraw/zinc/05/75/68/810057568.db2.gz LWSDYBBNZQCMFV-HNNXBMFYSA-N 2 1 290.451 3.174 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC001181592407 810060399 /nfs/dbraw/zinc/06/03/99/810060399.db2.gz ZHBWWTQYXYYPGQ-WMZOPIPTSA-N 2 1 274.452 3.390 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC001181592407 810060401 /nfs/dbraw/zinc/06/04/01/810060401.db2.gz ZHBWWTQYXYYPGQ-WMZOPIPTSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001184197914 810182213 /nfs/dbraw/zinc/18/22/13/810182213.db2.gz SOHYTQCMKJNCIU-OAHLLOKOSA-N 2 1 262.441 3.310 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)CCOc1cccc(C)c1 ZINC001190392264 810625553 /nfs/dbraw/zinc/62/55/53/810625553.db2.gz MMKVAUPGAQKLAM-UHFFFAOYSA-N 2 1 278.440 3.038 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)CCOc1cccc(C)c1 ZINC001190392264 810625555 /nfs/dbraw/zinc/62/55/55/810625555.db2.gz MMKVAUPGAQKLAM-UHFFFAOYSA-N 2 1 278.440 3.038 20 0 CGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)CC(C)(C)C ZINC001192358774 810790997 /nfs/dbraw/zinc/79/09/97/810790997.db2.gz OESZMWKRNSJKDC-MWDXBVQZSA-N 2 1 296.499 3.242 20 0 CGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)CC(C)(C)C ZINC001192358773 810791195 /nfs/dbraw/zinc/79/11/95/810791195.db2.gz OESZMWKRNSJKDC-LUKYLMHMSA-N 2 1 296.499 3.242 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C12CCCCC2 ZINC001194092389 811014101 /nfs/dbraw/zinc/01/41/01/811014101.db2.gz OYNXHIPIYMXBBH-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCC[C@@H](C)C1 ZINC001194715141 811114334 /nfs/dbraw/zinc/11/43/34/811114334.db2.gz MKAZZRUQEIBDQO-KZNAEPCWSA-N 2 1 298.515 3.368 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCC[C@@H](C)C1 ZINC001194715141 811114343 /nfs/dbraw/zinc/11/43/43/811114343.db2.gz MKAZZRUQEIBDQO-KZNAEPCWSA-N 2 1 298.515 3.368 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCC[C@@H](C)C1 ZINC001194715141 811114346 /nfs/dbraw/zinc/11/43/46/811114346.db2.gz MKAZZRUQEIBDQO-KZNAEPCWSA-N 2 1 298.515 3.368 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CCCCCC3)CC[C@@H]21 ZINC001197033786 811391833 /nfs/dbraw/zinc/39/18/33/811391833.db2.gz YDQPAUUSBAPRPJ-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CCCCCC3)CC[C@@H]21 ZINC001197033786 811391836 /nfs/dbraw/zinc/39/18/36/811391836.db2.gz YDQPAUUSBAPRPJ-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CCCCCC3)CC[C@@H]21 ZINC001197033786 811391846 /nfs/dbraw/zinc/39/18/46/811391846.db2.gz YDQPAUUSBAPRPJ-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CCCCCC3)CC[C@@H]21 ZINC001197033786 811391855 /nfs/dbraw/zinc/39/18/55/811391855.db2.gz YDQPAUUSBAPRPJ-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)CC[C@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197193471 811405279 /nfs/dbraw/zinc/40/52/79/811405279.db2.gz BKDBMPYCSMMUDS-SFHVURJKSA-N 2 1 298.515 3.083 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001197367797 811421504 /nfs/dbraw/zinc/42/15/04/811421504.db2.gz ASKCLZKOCXCZLA-KRWDZBQOSA-N 2 1 295.430 3.409 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC001200256672 811656094 /nfs/dbraw/zinc/65/60/94/811656094.db2.gz VGGSMGSZDCPMJD-KURKYZTESA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC001200256672 811656102 /nfs/dbraw/zinc/65/61/02/811656102.db2.gz VGGSMGSZDCPMJD-KURKYZTESA-N 2 1 296.499 3.434 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1csc(C(C)C)n1 ZINC001200715307 811737349 /nfs/dbraw/zinc/73/73/49/811737349.db2.gz WVQJUQOAYXMGRW-UHFFFAOYSA-N 2 1 292.452 3.341 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201497267 811867467 /nfs/dbraw/zinc/86/74/67/811867467.db2.gz VAWVYTZYGQLGEV-HNNXBMFYSA-N 2 1 261.413 3.124 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201497267 811867475 /nfs/dbraw/zinc/86/74/75/811867475.db2.gz VAWVYTZYGQLGEV-HNNXBMFYSA-N 2 1 261.413 3.124 20 0 CGADMP CC(C)CC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201623867 811922597 /nfs/dbraw/zinc/92/25/97/811922597.db2.gz CDOLPSSGPKSTHS-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201623867 811922600 /nfs/dbraw/zinc/92/26/00/811922600.db2.gz CDOLPSSGPKSTHS-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201623867 811922603 /nfs/dbraw/zinc/92/26/03/811922603.db2.gz CDOLPSSGPKSTHS-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CSCCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001201689642 811937663 /nfs/dbraw/zinc/93/76/63/811937663.db2.gz BFQUQEMEVPWVRT-OAHLLOKOSA-N 2 1 270.486 3.080 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC001202610762 812134734 /nfs/dbraw/zinc/13/47/34/812134734.db2.gz BHFDYGQIDIEZSN-OWCLPIDISA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC001202610762 812134736 /nfs/dbraw/zinc/13/47/36/812134736.db2.gz BHFDYGQIDIEZSN-OWCLPIDISA-N 2 1 270.461 3.044 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC001203739874 812447347 /nfs/dbraw/zinc/44/73/47/812447347.db2.gz QUNSDSSIUDPWDQ-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP COc1cc(C)c(C[N@H+](C)CCC[NH+]2CCCC2)cc1C ZINC001203760021 812456452 /nfs/dbraw/zinc/45/64/52/812456452.db2.gz KBURVYJAPBFBHM-UHFFFAOYSA-N 2 1 290.451 3.230 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)cc1C ZINC001203760021 812456454 /nfs/dbraw/zinc/45/64/54/812456454.db2.gz KBURVYJAPBFBHM-UHFFFAOYSA-N 2 1 290.451 3.230 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc(C2CC2)s1 ZINC001204110903 812549837 /nfs/dbraw/zinc/54/98/37/812549837.db2.gz LRJJFQXTPGYBRB-GFCCVEGCSA-N 2 1 281.469 3.231 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204267509 812592387 /nfs/dbraw/zinc/59/23/87/812592387.db2.gz UAVPTFMMHZYISW-MRXNPFEDSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(F)c1C ZINC001204512132 812661713 /nfs/dbraw/zinc/66/17/13/812661713.db2.gz CYKXSZHYQNUTLM-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)C1CCN(C)CC1 ZINC001204521828 812665219 /nfs/dbraw/zinc/66/52/19/812665219.db2.gz CFKRPOPJKCPOOC-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC(C)(C)[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001204604711 812686877 /nfs/dbraw/zinc/68/68/77/812686877.db2.gz WAVLMDXQFIACKP-INIZCTEOSA-N 2 1 290.451 3.402 20 0 CGADMP CC(C)(C)[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001204604711 812686881 /nfs/dbraw/zinc/68/68/81/812686881.db2.gz WAVLMDXQFIACKP-INIZCTEOSA-N 2 1 290.451 3.402 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2c1 ZINC001204735373 812719990 /nfs/dbraw/zinc/71/99/90/812719990.db2.gz ROWGDPVNCIZPGT-UHFFFAOYSA-N 2 1 297.446 3.442 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001204938893 812787119 /nfs/dbraw/zinc/78/71/19/812787119.db2.gz OILJQSQYMUFWLZ-KBMXLJTQSA-N 2 1 278.827 3.257 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001204938893 812787123 /nfs/dbraw/zinc/78/71/23/812787123.db2.gz OILJQSQYMUFWLZ-KBMXLJTQSA-N 2 1 278.827 3.257 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205016266 812827028 /nfs/dbraw/zinc/82/70/28/812827028.db2.gz HTUZQOFQGJLNRA-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2Cl)C1 ZINC001205018887 812827906 /nfs/dbraw/zinc/82/79/06/812827906.db2.gz ZTYYVANVWRPPPY-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2Cl)C1 ZINC001205018887 812827918 /nfs/dbraw/zinc/82/79/18/812827918.db2.gz ZTYYVANVWRPPPY-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001205033393 812835251 /nfs/dbraw/zinc/83/52/51/812835251.db2.gz DWFPSWMLYKPBMZ-UHFFFAOYSA-N 2 1 290.304 3.015 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1csc2ccccc12 ZINC001205069402 812846249 /nfs/dbraw/zinc/84/62/49/812846249.db2.gz ZHGMDJJGWJIZIG-AAEUAGOBSA-N 2 1 260.406 3.213 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1csc2ccccc12 ZINC001205069402 812846259 /nfs/dbraw/zinc/84/62/59/812846259.db2.gz ZHGMDJJGWJIZIG-AAEUAGOBSA-N 2 1 260.406 3.213 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC001205095546 812861257 /nfs/dbraw/zinc/86/12/57/812861257.db2.gz YQUOBRQWZOMQFB-KRWDZBQOSA-N 2 1 254.377 3.153 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001205110066 812870191 /nfs/dbraw/zinc/87/01/91/812870191.db2.gz NUXAFBBZJNVGSB-OAHLLOKOSA-N 2 1 287.432 3.123 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1Br ZINC001205110749 812871562 /nfs/dbraw/zinc/87/15/62/812871562.db2.gz ZNAODHHOBIZWHL-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1Br ZINC001205110749 812871572 /nfs/dbraw/zinc/87/15/72/812871572.db2.gz ZNAODHHOBIZWHL-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001205164911 812895208 /nfs/dbraw/zinc/89/52/08/812895208.db2.gz VPXOXKCWVNIORR-CQSZACIVSA-N 2 1 266.388 3.265 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205164574 812896154 /nfs/dbraw/zinc/89/61/54/812896154.db2.gz IFGHIMLMEVRIMW-HNNXBMFYSA-N 2 1 284.447 3.386 20 0 CGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1F ZINC001205192950 812903978 /nfs/dbraw/zinc/90/39/78/812903978.db2.gz KRUMTKUREKUPGE-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205211963 812909552 /nfs/dbraw/zinc/90/95/52/812909552.db2.gz WZQJZMSZBZVYQX-CWIOURORSA-N 2 1 282.472 3.079 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2Br)CC1 ZINC001205256885 812919492 /nfs/dbraw/zinc/91/94/92/812919492.db2.gz RNUWSHYGCZZQSP-CQSZACIVSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2Br)CC1 ZINC001205256885 812919493 /nfs/dbraw/zinc/91/94/93/812919493.db2.gz RNUWSHYGCZZQSP-CQSZACIVSA-N 2 1 297.240 3.152 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)s1 ZINC001205264320 812921313 /nfs/dbraw/zinc/92/13/13/812921313.db2.gz KJJSFSJDVQOKRL-OAHLLOKOSA-N 2 1 266.454 3.404 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)s1 ZINC001205264319 812921612 /nfs/dbraw/zinc/92/16/12/812921612.db2.gz KJJSFSJDVQOKRL-HNNXBMFYSA-N 2 1 266.454 3.404 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205266389 812922605 /nfs/dbraw/zinc/92/26/05/812922605.db2.gz UFFOYBIHQDGHJF-OAHLLOKOSA-N 2 1 264.438 3.112 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205274383 812925748 /nfs/dbraw/zinc/92/57/48/812925748.db2.gz WROZVUFOIXRNEL-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205287922 812932070 /nfs/dbraw/zinc/93/20/70/812932070.db2.gz DIYPSTQUPKYWCV-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205296628 812937639 /nfs/dbraw/zinc/93/76/39/812937639.db2.gz RUPBOEFLIUPSSY-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C[C@H]1C[NH3+] ZINC001205304676 812942044 /nfs/dbraw/zinc/94/20/44/812942044.db2.gz OXMAWNKFYYABDW-NWDGAFQWSA-N 2 1 291.826 3.238 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3sccc32)C[C@H]1C[NH3+] ZINC001205318545 812950438 /nfs/dbraw/zinc/95/04/38/812950438.db2.gz VWLNGTJRPVJFQO-GXTWGEPZSA-N 2 1 274.433 3.318 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC001205319379 812952413 /nfs/dbraw/zinc/95/24/13/812952413.db2.gz ZIZQSWVHCQMMHS-NVXWUHKLSA-N 2 1 295.430 3.165 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c3ccoc32)CC1 ZINC001205582096 813011631 /nfs/dbraw/zinc/01/16/31/813011631.db2.gz WSJAFJSPFLICJY-MRXNPFEDSA-N 2 1 294.345 3.225 20 0 CGADMP Cc1cc(C)c(-c2ccc(N3CC[NH2+]CC3)cc2)c(C)[nH+]1 ZINC001205600358 813017539 /nfs/dbraw/zinc/01/75/39/813017539.db2.gz MPYVGPGRJMRHNE-UHFFFAOYSA-N 2 1 281.403 3.083 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(c3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001205600927 813018596 /nfs/dbraw/zinc/01/85/96/813018596.db2.gz CLXIRCRQXCCMFQ-HZPDHXFCSA-N 2 1 272.436 3.025 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)cc2c1 ZINC001205616242 813027315 /nfs/dbraw/zinc/02/73/15/813027315.db2.gz DSDRFMLVKDAABR-LSDHHAIUSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205618498 813029280 /nfs/dbraw/zinc/02/92/80/813029280.db2.gz WQDTYBXMLYEDJL-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3occc3c2)CC[C@@H]1C[NH3+] ZINC001205617873 813029401 /nfs/dbraw/zinc/02/94/01/813029401.db2.gz OSTRJCYMHHJRMM-XJKSGUPXSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cn2)CC[C@@H]1C[NH3+] ZINC001205625605 813032604 /nfs/dbraw/zinc/03/26/04/813032604.db2.gz BUEPYGOESHUDHM-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205639179 813039247 /nfs/dbraw/zinc/03/92/47/813039247.db2.gz XAJDLXCFCUWIFO-ZFWWWQNUSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651840 813042914 /nfs/dbraw/zinc/04/29/14/813042914.db2.gz KMXAPIPNHHOVMK-ZIAGYGMSSA-N 2 1 280.843 3.455 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2csc3ccccc23)CCC1(F)F ZINC001205772132 813071667 /nfs/dbraw/zinc/07/16/67/813071667.db2.gz XYGYNNVVWGYFGM-LBPRGKRZSA-N 2 1 296.386 3.317 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2csc3ccccc23)CCC1(F)F ZINC001205772132 813071676 /nfs/dbraw/zinc/07/16/76/813071676.db2.gz XYGYNNVVWGYFGM-LBPRGKRZSA-N 2 1 296.386 3.317 20 0 CGADMP Cc1cccnc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001205807478 813087440 /nfs/dbraw/zinc/08/74/40/813087440.db2.gz NLKVZFQJQIQEHG-DLBZAZTESA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccnc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001205807478 813087449 /nfs/dbraw/zinc/08/74/49/813087449.db2.gz NLKVZFQJQIQEHG-DLBZAZTESA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cccnc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001205807478 813087458 /nfs/dbraw/zinc/08/74/58/813087458.db2.gz NLKVZFQJQIQEHG-DLBZAZTESA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cnccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001205850477 813106734 /nfs/dbraw/zinc/10/67/34/813106734.db2.gz JMSUOMPLEIEZLG-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cnccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001205850477 813106739 /nfs/dbraw/zinc/10/67/39/813106739.db2.gz JMSUOMPLEIEZLG-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001205851936 813108031 /nfs/dbraw/zinc/10/80/31/813108031.db2.gz DCLCLZCDKQBUDJ-OAHLLOKOSA-N 2 1 282.428 3.108 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205868825 813113597 /nfs/dbraw/zinc/11/35/97/813113597.db2.gz SXMCDLOMIALVHH-RISCZKNCSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205868825 813113603 /nfs/dbraw/zinc/11/36/03/813113603.db2.gz SXMCDLOMIALVHH-RISCZKNCSA-N 2 1 274.433 3.379 20 0 CGADMP C[N@H+](CCC[NH2+]C1CCCCC1)Cc1cccc(O)c1 ZINC001205895922 813121531 /nfs/dbraw/zinc/12/15/31/813121531.db2.gz QKQUIKBFILTPTM-UHFFFAOYSA-N 2 1 276.424 3.136 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1cccc(O)c1 ZINC001205895922 813121533 /nfs/dbraw/zinc/12/15/33/813121533.db2.gz QKQUIKBFILTPTM-UHFFFAOYSA-N 2 1 276.424 3.136 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC1 ZINC001205902801 813124375 /nfs/dbraw/zinc/12/43/75/813124375.db2.gz LURBVIZIIAUKPP-FZKCQIBNSA-N 2 1 250.430 3.038 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2ccc(Cl)cc12 ZINC001205903321 813125249 /nfs/dbraw/zinc/12/52/49/813125249.db2.gz OLZCHUBYXDYDPO-NEPJUHHUSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001205904156 813126213 /nfs/dbraw/zinc/12/62/13/813126213.db2.gz SKWTWFZLTMLOOT-HIFRSBDPSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205904932 813127961 /nfs/dbraw/zinc/12/79/61/813127961.db2.gz YQPKCZBJVMXNOJ-VXGBXAGGSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1OC(C)(C)C ZINC001205912815 813129385 /nfs/dbraw/zinc/12/93/85/813129385.db2.gz CVDLIGYPWBZSDZ-CABCVRRESA-N 2 1 290.451 3.423 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912788 813129970 /nfs/dbraw/zinc/12/99/70/813129970.db2.gz CKDOEWZGABAHER-KGLIPLIRSA-N 2 1 264.388 3.002 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205914824 813130554 /nfs/dbraw/zinc/13/05/54/813130554.db2.gz ODXMHCDBYYVIGM-GOEBONIOSA-N 2 1 290.451 3.423 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccn1Cc1ccccc1 ZINC001205915544 813131079 /nfs/dbraw/zinc/13/10/79/813131079.db2.gz PNMFLHNPBDZOPV-WMZOPIPTSA-N 2 1 297.446 3.096 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c2ccoc21 ZINC001205914081 813131343 /nfs/dbraw/zinc/13/13/43/813131343.db2.gz KXESHPSYLZDMNG-NEPJUHHUSA-N 2 1 276.355 3.131 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccc2)cc1 ZINC001205916161 813132381 /nfs/dbraw/zinc/13/23/81/813132381.db2.gz SCZRMJPOULXLPW-RDJZCZTQSA-N 2 1 283.419 3.037 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923101 813135536 /nfs/dbraw/zinc/13/55/36/813135536.db2.gz IPYSTFWKHXBDEJ-UONOGXRCSA-N 2 1 278.465 3.358 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205930641 813137755 /nfs/dbraw/zinc/13/77/55/813137755.db2.gz BULJCEPQUZZYSX-KRWDZBQOSA-N 2 1 260.425 3.198 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205930641 813137759 /nfs/dbraw/zinc/13/77/59/813137759.db2.gz BULJCEPQUZZYSX-KRWDZBQOSA-N 2 1 260.425 3.198 20 0 CGADMP C[C@H]1C[N@@H+](CC2(c3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001205983082 813152071 /nfs/dbraw/zinc/15/20/71/813152071.db2.gz NHAQSMLGVXILHO-JKSUJKDBSA-N 2 1 272.436 3.025 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CCC[C@H]1C[NH3+] ZINC001205993441 813155240 /nfs/dbraw/zinc/15/52/40/813155240.db2.gz HPTWWLAIIXCNIH-OCCSQVGLSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205993101 813155482 /nfs/dbraw/zinc/15/54/82/813155482.db2.gz GXLQGDPXUYLIOJ-YPMHNXCESA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2coc3ccccc23)CCC[C@H]1C[NH3+] ZINC001206004363 813161063 /nfs/dbraw/zinc/16/10/63/813161063.db2.gz RXKUMXKCLRDNQM-KGLIPLIRSA-N 2 1 272.392 3.240 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC001206003607 813161306 /nfs/dbraw/zinc/16/13/06/813161306.db2.gz KFDDWHPNPLLGAN-NWDGAFQWSA-N 2 1 284.494 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCC[C@@H]1C[NH3+] ZINC001206004160 813161614 /nfs/dbraw/zinc/16/16/14/813161614.db2.gz QUEMEIVNXKWEBY-UKRRQHHQSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CCC[C@@H]1C[NH3+] ZINC001206005656 813162824 /nfs/dbraw/zinc/16/28/24/813162824.db2.gz YYBGNBZKJQWKNY-GOEBONIOSA-N 2 1 272.436 3.371 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001206013046 813164724 /nfs/dbraw/zinc/16/47/24/813164724.db2.gz OYVJLHPASSDEMM-DLBZAZTESA-N 2 1 274.452 3.419 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC001206012415 813165194 /nfs/dbraw/zinc/16/51/94/813165194.db2.gz LFSVGIMVYKHFQR-OLZOCXBDSA-N 2 1 266.454 3.117 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206024143 813169060 /nfs/dbraw/zinc/16/90/60/813169060.db2.gz IAWNCZRYNOACCC-DZGCQCFKSA-N 2 1 294.414 3.031 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206028823 813171583 /nfs/dbraw/zinc/17/15/83/813171583.db2.gz ZMAINQGWANYBLL-UONOGXRCSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)nc1C ZINC001206036371 813176379 /nfs/dbraw/zinc/17/63/79/813176379.db2.gz IWXRUHQGOCQJLI-TZMCWYRMSA-N 2 1 295.858 3.159 20 0 CGADMP N[C@@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)CC[C@H]1F ZINC001206152633 813214707 /nfs/dbraw/zinc/21/47/07/813214707.db2.gz ADHFVNJTVIXNNO-IAGOWNOFSA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CC2(c3ccccc3)CCCC2)CC[C@H]1F ZINC001206152633 813214711 /nfs/dbraw/zinc/21/47/11/813214711.db2.gz ADHFVNJTVIXNNO-IAGOWNOFSA-N 2 1 290.426 3.260 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)CC[C@H]1F ZINC001206152633 813214715 /nfs/dbraw/zinc/21/47/15/813214715.db2.gz ADHFVNJTVIXNNO-IAGOWNOFSA-N 2 1 290.426 3.260 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206196060 813234456 /nfs/dbraw/zinc/23/44/56/813234456.db2.gz APOFJHDHDWLSQL-CVEARBPZSA-N 2 1 264.388 3.071 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]C[C@@H]3C)cc2)o1 ZINC001206263254 813262611 /nfs/dbraw/zinc/26/26/11/813262611.db2.gz TVKJMPYHCQZPKO-AWEZNQCLSA-N 2 1 284.403 3.439 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)cc2)o1 ZINC001206263254 813262614 /nfs/dbraw/zinc/26/26/14/813262614.db2.gz TVKJMPYHCQZPKO-AWEZNQCLSA-N 2 1 284.403 3.439 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@](C)(C[NH3+])CC1)c1ccccc1 ZINC001206293440 813274622 /nfs/dbraw/zinc/27/46/22/813274622.db2.gz HPSSGDRSZNZOKG-WBVHZDCISA-N 2 1 260.425 3.241 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(C)c1C ZINC001206297644 813276486 /nfs/dbraw/zinc/27/64/86/813276486.db2.gz ZDECSCCMTPZDAL-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP CC1(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)CCCCC1 ZINC001206297618 813277248 /nfs/dbraw/zinc/27/72/48/813277248.db2.gz YZTVATGDXDGJCF-HNNXBMFYSA-N 2 1 252.446 3.408 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)cc1F ZINC001206319015 813287427 /nfs/dbraw/zinc/28/74/27/813287427.db2.gz XKQJPXNHIFVGQY-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206372330 813307377 /nfs/dbraw/zinc/30/73/77/813307377.db2.gz ZWWPNLHWUCFCAU-KRWDZBQOSA-N 2 1 278.415 3.210 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001206542199 813344464 /nfs/dbraw/zinc/34/44/64/813344464.db2.gz URPFVLBXNGESIF-YESZJQIVSA-N 2 1 264.457 3.430 20 0 CGADMP CC1(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)CCCCC1 ZINC001206541820 813345371 /nfs/dbraw/zinc/34/53/71/813345371.db2.gz KXKRHYXURNCKSH-MRXNPFEDSA-N 2 1 252.446 3.408 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC001206549838 813348142 /nfs/dbraw/zinc/34/81/42/813348142.db2.gz QPAAJLBZGGPRPU-MRXNPFEDSA-N 2 1 298.377 3.239 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(C)s1 ZINC001206548808 813348435 /nfs/dbraw/zinc/34/84/35/813348435.db2.gz JHQFDCRZJZKGEY-HNNXBMFYSA-N 2 1 266.454 3.316 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001206550202 813348692 /nfs/dbraw/zinc/34/86/92/813348692.db2.gz XKXXNLDGCAFQEG-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206565957 813356875 /nfs/dbraw/zinc/35/68/75/813356875.db2.gz WOWYIZCIDBSMND-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206565957 813356883 /nfs/dbraw/zinc/35/68/83/813356883.db2.gz WOWYIZCIDBSMND-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP CC(C)[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@@H]1CCC[NH2+]CC1 ZINC001206581033 813362538 /nfs/dbraw/zinc/36/25/38/813362538.db2.gz HJHZJJCTCSFSLY-VVLHAWIVSA-N 2 1 262.441 3.051 20 0 CGADMP CC(C)[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206583036 813362823 /nfs/dbraw/zinc/36/28/23/813362823.db2.gz RXNPMYYGMRAVGJ-INIZCTEOSA-N 2 1 282.378 3.317 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639003 813382654 /nfs/dbraw/zinc/38/26/54/813382654.db2.gz AIJHUVQSBLILFR-AWEZNQCLSA-N 2 1 294.414 3.175 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639003 813382661 /nfs/dbraw/zinc/38/26/61/813382661.db2.gz AIJHUVQSBLILFR-AWEZNQCLSA-N 2 1 294.414 3.175 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc2c(c1)ncn2C ZINC001206742757 813415975 /nfs/dbraw/zinc/41/59/75/813415975.db2.gz IIBOHKFYBFIOHE-UHFFFAOYSA-N 2 1 281.363 3.086 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1ccccc1Cl ZINC001206760475 813426120 /nfs/dbraw/zinc/42/61/20/813426120.db2.gz HHRDHBUZVUCFAD-KGLIPLIRSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCCCc1ccccc1 ZINC001206761065 813426597 /nfs/dbraw/zinc/42/65/97/813426597.db2.gz SLXAXXZJYDFCAP-AEFFLSMTSA-N 2 1 274.452 3.459 20 0 CGADMP Clc1ccc([C@H]2C[C@@H]2C[N@H+]2CCN3CCC2CC3)cc1 ZINC001207191959 813511216 /nfs/dbraw/zinc/51/12/16/813511216.db2.gz NXYWSIYDNBSPFV-RHSMWYFYSA-N 2 1 290.838 3.224 20 0 CGADMP Clc1ccc([C@H]2C[C@@H]2CN2CC[NH+]3CCC2CC3)cc1 ZINC001207191959 813511224 /nfs/dbraw/zinc/51/12/24/813511224.db2.gz NXYWSIYDNBSPFV-RHSMWYFYSA-N 2 1 290.838 3.224 20 0 CGADMP C(C[NH+]1CCC([NH+]2CCC2)CC1)C1CCCCC1 ZINC001207259816 813523536 /nfs/dbraw/zinc/52/35/36/813523536.db2.gz KWDLFHZSTUWOQI-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001207282715 813534738 /nfs/dbraw/zinc/53/47/38/813534738.db2.gz NDXFNEPTCXRYHA-CABCVRRESA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479439 813572666 /nfs/dbraw/zinc/57/26/66/813572666.db2.gz IUJKKKFFBAAVML-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(OC)cc1 ZINC001207487445 813575050 /nfs/dbraw/zinc/57/50/50/813575050.db2.gz JBGWJBMUZGKSIG-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP Cc1cccc(CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001207537170 813591441 /nfs/dbraw/zinc/59/14/41/813591441.db2.gz WPCOJPRYYAJJMJ-UHFFFAOYSA-N 2 1 286.463 3.488 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](CCCC3CCCCC3)C[C@H]21 ZINC001207609349 813612527 /nfs/dbraw/zinc/61/25/27/813612527.db2.gz WCVOEFDGKDPCOM-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)CC1(C)CC[NH+](C)CC1 ZINC001208108815 813695167 /nfs/dbraw/zinc/69/51/67/813695167.db2.gz JDCIACFYEFRLDV-UHFFFAOYSA-N 2 1 282.378 3.129 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001208114064 813696866 /nfs/dbraw/zinc/69/68/66/813696866.db2.gz QTVWNIISDIPKOP-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC001208151603 813711150 /nfs/dbraw/zinc/71/11/50/813711150.db2.gz LWTRKPBBXOQEAL-CYBMUJFWSA-N 2 1 264.413 3.108 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC001208151603 813711157 /nfs/dbraw/zinc/71/11/57/813711157.db2.gz LWTRKPBBXOQEAL-CYBMUJFWSA-N 2 1 264.413 3.108 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208169419 813724626 /nfs/dbraw/zinc/72/46/26/813724626.db2.gz PGTHYVJIXKNYOD-CVEARBPZSA-N 2 1 264.457 3.395 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001208172649 813727490 /nfs/dbraw/zinc/72/74/90/813727490.db2.gz ZLHFAJJCJHLNOE-FUHWJXTLSA-N 2 1 288.479 3.397 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208174358 813727744 /nfs/dbraw/zinc/72/77/44/813727744.db2.gz JYTQKDCKJXENFS-JKSUJKDBSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208174358 813727748 /nfs/dbraw/zinc/72/77/48/813727748.db2.gz JYTQKDCKJXENFS-JKSUJKDBSA-N 2 1 264.457 3.395 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208193942 813739637 /nfs/dbraw/zinc/73/96/37/813739637.db2.gz JHHVCRWEPVUNSV-ARJAWSKDSA-N 2 1 261.413 3.268 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208193942 813739640 /nfs/dbraw/zinc/73/96/40/813739640.db2.gz JHHVCRWEPVUNSV-ARJAWSKDSA-N 2 1 261.413 3.268 20 0 CGADMP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208948282 813906487 /nfs/dbraw/zinc/90/64/87/813906487.db2.gz PJUARDSJTAHKTJ-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208948282 813906494 /nfs/dbraw/zinc/90/64/94/813906494.db2.gz PJUARDSJTAHKTJ-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208948282 813906501 /nfs/dbraw/zinc/90/65/01/813906501.db2.gz PJUARDSJTAHKTJ-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208948282 813906507 /nfs/dbraw/zinc/90/65/07/813906507.db2.gz PJUARDSJTAHKTJ-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CCCc2cccnc2)CC1 ZINC001209181324 813957786 /nfs/dbraw/zinc/95/77/86/813957786.db2.gz VARBZPHJTXDMPX-UHFFFAOYSA-N 2 1 289.467 3.211 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001209416790 814020706 /nfs/dbraw/zinc/02/07/06/814020706.db2.gz SNCROFKFXAFGFD-NVXWUHKLSA-N 2 1 288.435 3.224 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3ccc(C)cc23)CC1 ZINC001209498142 814065930 /nfs/dbraw/zinc/06/59/30/814065930.db2.gz ZZSFPDMAODXWIC-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3ccc(C)cc23)CC1 ZINC001209498142 814065938 /nfs/dbraw/zinc/06/59/38/814065938.db2.gz ZZSFPDMAODXWIC-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209729692 814122541 /nfs/dbraw/zinc/12/25/41/814122541.db2.gz RBSUTPKVZXODEZ-UHFFFAOYSA-N 2 1 269.392 3.152 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209729692 814122545 /nfs/dbraw/zinc/12/25/45/814122545.db2.gz RBSUTPKVZXODEZ-UHFFFAOYSA-N 2 1 269.392 3.152 20 0 CGADMP C[NH2+]Cc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1F ZINC001216218475 815740163 /nfs/dbraw/zinc/74/01/63/815740163.db2.gz DAZXAQGQNRYYTQ-UHFFFAOYSA-N 2 1 299.271 3.124 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222142222 816359675 /nfs/dbraw/zinc/35/96/75/816359675.db2.gz XYBIKRBFSPWCIJ-FUHWJXTLSA-N 2 1 296.499 3.029 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148133 816359908 /nfs/dbraw/zinc/35/99/08/816359908.db2.gz LGVCYQWMPFIXNB-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148133 816359915 /nfs/dbraw/zinc/35/99/15/816359915.db2.gz LGVCYQWMPFIXNB-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)o1 ZINC001222162123 816366216 /nfs/dbraw/zinc/36/62/16/816366216.db2.gz YWRDYLMDFUCTML-QGZVFWFLSA-N 2 1 276.424 3.334 20 0 CGADMP Cc1cncc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161659 816366618 /nfs/dbraw/zinc/36/66/18/816366618.db2.gz QZNRSMLPPWVQQP-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222281993 816393309 /nfs/dbraw/zinc/39/33/09/816393309.db2.gz CSXNQYMOXRGRQI-LJQANCHMSA-N 2 1 280.415 3.476 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222281993 816393317 /nfs/dbraw/zinc/39/33/17/816393317.db2.gz CSXNQYMOXRGRQI-LJQANCHMSA-N 2 1 280.415 3.476 20 0 CGADMP Cc1c(C)c(C)c(C[NH+]2CC3(C2)CC[NH2+]C3)c(C)c1C ZINC001222379685 816423755 /nfs/dbraw/zinc/42/37/55/816423755.db2.gz IHKSYKJNGREKKH-UHFFFAOYSA-N 2 1 272.436 3.024 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421621 816440022 /nfs/dbraw/zinc/44/00/22/816440022.db2.gz OAJVSEZKVVOFFO-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421621 816440028 /nfs/dbraw/zinc/44/00/28/816440028.db2.gz OAJVSEZKVVOFFO-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465481 816451551 /nfs/dbraw/zinc/45/15/51/816451551.db2.gz RXICRAHHJYBLIO-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465481 816451556 /nfs/dbraw/zinc/45/15/56/816451556.db2.gz RXICRAHHJYBLIO-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465483 816451717 /nfs/dbraw/zinc/45/17/17/816451717.db2.gz RXICRAHHJYBLIO-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465483 816451720 /nfs/dbraw/zinc/45/17/20/816451720.db2.gz RXICRAHHJYBLIO-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP c1ccc([C@@H]2C[N@H+](C[C@@H]3CC=CCC3)CC23C[NH2+]C3)cc1 ZINC001222596454 816474240 /nfs/dbraw/zinc/47/42/40/816474240.db2.gz WDLUVIMBUJGGOZ-AEFFLSMTSA-N 2 1 282.431 3.032 20 0 CGADMP Cc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596112 816474599 /nfs/dbraw/zinc/47/45/99/816474599.db2.gz PYEJGXYXDMUQLI-IBGZPJMESA-N 2 1 292.426 3.184 20 0 CGADMP CC/C=C\CC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595581 816475168 /nfs/dbraw/zinc/47/51/68/816475168.db2.gz DEQSMKLZQMJXHI-CWIOURORSA-N 2 1 270.420 3.032 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620348 816479259 /nfs/dbraw/zinc/47/92/59/816479259.db2.gz OCMQNQDGSPTHLF-ZWKOTPCHSA-N 2 1 272.436 3.069 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623189 816480386 /nfs/dbraw/zinc/48/03/86/816480386.db2.gz FJMLXOXRMJVTGK-YESZJQIVSA-N 2 1 264.457 3.300 20 0 CGADMP C[NH2+]Cc1ccc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)cc1 ZINC001242994718 823202569 /nfs/dbraw/zinc/20/25/69/823202569.db2.gz PRCBRBQRLKMBAM-UHFFFAOYSA-N 2 1 284.378 3.200 20 0 CGADMP C[NH+](C)CC[C@H](OC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001224703483 816858806 /nfs/dbraw/zinc/85/88/06/816858806.db2.gz TXFCEYWMFNCJCJ-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cnc1F ZINC001231926623 818214812 /nfs/dbraw/zinc/21/48/12/818214812.db2.gz CCYBMAXDHMDYSK-UHFFFAOYSA-N 2 1 293.430 3.081 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001231975259 818219831 /nfs/dbraw/zinc/21/98/31/818219831.db2.gz JMJXUUZRAALLDZ-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001232014458 818233131 /nfs/dbraw/zinc/23/31/31/818233131.db2.gz PVNKGSUGVQOGCS-KRWDZBQOSA-N 2 1 278.359 3.295 20 0 CGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232011924 818233997 /nfs/dbraw/zinc/23/39/97/818233997.db2.gz POSFHZYEPLWMNO-UHFFFAOYSA-N 2 1 251.333 3.195 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016733 818235240 /nfs/dbraw/zinc/23/52/40/818235240.db2.gz DMVYHINELKQPOF-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP C[N@@H+](CCc1ccccc1F)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017825 818236171 /nfs/dbraw/zinc/23/61/71/818236171.db2.gz ZCOFIUOKGQSUET-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232143863 818263511 /nfs/dbraw/zinc/26/35/11/818263511.db2.gz IULYJNYOHHGXHR-ZDUSSCGKSA-N 2 1 264.388 3.119 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC3CCC2CC3)c1 ZINC001232146700 818264452 /nfs/dbraw/zinc/26/44/52/818264452.db2.gz ZJVFXMFOSPYKFT-UHFFFAOYSA-N 2 1 276.399 3.262 20 0 CGADMP Cc1c(F)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC001232425075 818345354 /nfs/dbraw/zinc/34/53/54/818345354.db2.gz WPZPNZBJQQBQLK-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP Fc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC001234977688 818968272 /nfs/dbraw/zinc/96/82/72/818968272.db2.gz APVQKCWEDOKUFT-HDICACEKSA-N 2 1 296.389 3.144 20 0 CGADMP Fc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234980437 818969355 /nfs/dbraw/zinc/96/93/55/818969355.db2.gz XFJYHGWLOCEESJ-HDICACEKSA-N 2 1 296.389 3.144 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234998870 818974452 /nfs/dbraw/zinc/97/44/52/818974452.db2.gz KYHBSBGDTXEWTF-GOSISDBHSA-N 2 1 272.436 3.386 20 0 CGADMP Oc1cc2ccccc2c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234998868 818974861 /nfs/dbraw/zinc/97/48/61/818974861.db2.gz KXSQMUNEEROCRZ-LJQANCHMSA-N 2 1 296.414 3.121 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025250 818982368 /nfs/dbraw/zinc/98/23/68/818982368.db2.gz YTJWREGZPSAAJU-MRXNPFEDSA-N 2 1 286.463 3.284 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235029983 818982991 /nfs/dbraw/zinc/98/29/91/818982991.db2.gz DEYKKOQVPJXCAQ-BHYGNILZSA-N 2 1 290.838 3.129 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1)c1ccccc1 ZINC001235039714 818988141 /nfs/dbraw/zinc/98/81/41/818988141.db2.gz HKXDJWXBGCWOLR-SJLPKXTDSA-N 2 1 272.436 3.398 20 0 CGADMP Clc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235039963 818988563 /nfs/dbraw/zinc/98/85/63/818988563.db2.gz JOFBLGUYURCUKC-MRXNPFEDSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235039963 818988568 /nfs/dbraw/zinc/98/85/68/818988568.db2.gz JOFBLGUYURCUKC-MRXNPFEDSA-N 2 1 278.827 3.448 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235044771 818991028 /nfs/dbraw/zinc/99/10/28/818991028.db2.gz KEJGQAAJQYLEDO-SFHVURJKSA-N 2 1 288.435 3.193 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc21 ZINC001235092565 818999911 /nfs/dbraw/zinc/99/99/11/818999911.db2.gz LTMDLJSCVGUEIQ-UHFFFAOYSA-N 2 1 297.446 3.237 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235141241 819014600 /nfs/dbraw/zinc/01/46/00/819014600.db2.gz PZHAQLBOJNWWMS-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP CNc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235153076 819018077 /nfs/dbraw/zinc/01/80/77/819018077.db2.gz DIVPIJHOKJYCPP-SFHVURJKSA-N 2 1 287.451 3.082 20 0 CGADMP C(C[N@H+]1CCCC[C@@]12CCC[NH2+]C2)C1CCCC1 ZINC001235175511 819024558 /nfs/dbraw/zinc/02/45/58/819024558.db2.gz WVYNNUQJPDCZNX-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191078 819030855 /nfs/dbraw/zinc/03/08/55/819030855.db2.gz PONQWJFFXPQCMD-UHFFFAOYSA-N 2 1 290.426 3.366 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001235224344 819040249 /nfs/dbraw/zinc/04/02/49/819040249.db2.gz KDADFBVCFJZSKL-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235253102 819049204 /nfs/dbraw/zinc/04/92/04/819049204.db2.gz BUWIFPVMGMIVBM-XHSDSOJGSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235256886 819053587 /nfs/dbraw/zinc/05/35/87/819053587.db2.gz GXBYDJHZAAUSQJ-TZMCWYRMSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235256886 819053591 /nfs/dbraw/zinc/05/35/91/819053591.db2.gz GXBYDJHZAAUSQJ-TZMCWYRMSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1ccc(Oc2cccc(C[N@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235285520 819060608 /nfs/dbraw/zinc/06/06/08/819060608.db2.gz SPYYXQDHHRVIIG-REPLKXPHSA-N 2 1 294.398 3.176 20 0 CGADMP Cc1ccc(Oc2cccc(C[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235285520 819060614 /nfs/dbraw/zinc/06/06/14/819060614.db2.gz SPYYXQDHHRVIIG-REPLKXPHSA-N 2 1 294.398 3.176 20 0 CGADMP CCCCCCc1ccc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)s1 ZINC001235283912 819060802 /nfs/dbraw/zinc/06/08/02/819060802.db2.gz IZCINSXDFBBYGE-MUJYYYPQSA-N 2 1 278.465 3.260 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC001235276540 819060970 /nfs/dbraw/zinc/06/09/70/819060970.db2.gz ZHTCMHRXLRDYIB-BBRMVZONSA-N 2 1 278.465 3.275 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC001235276540 819060973 /nfs/dbraw/zinc/06/09/73/819060973.db2.gz ZHTCMHRXLRDYIB-BBRMVZONSA-N 2 1 278.465 3.275 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1 ZINC001235406826 819088169 /nfs/dbraw/zinc/08/81/69/819088169.db2.gz RBEQMXHNWXKJSS-ROUUACIJSA-N 2 1 290.426 3.135 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235427355 819094229 /nfs/dbraw/zinc/09/42/29/819094229.db2.gz QZZFZVKGMQJGBM-GJZGRUSLSA-N 2 1 276.424 3.054 20 0 CGADMP C[N@H+](Cc1c[nH]c2c1cccc2Cl)CC1CC[NH2+]CC1 ZINC001235432961 819096337 /nfs/dbraw/zinc/09/63/37/819096337.db2.gz BIMCTBAFJDWPPS-UHFFFAOYSA-N 2 1 291.826 3.253 20 0 CGADMP Cc1csc(C[N@@H+](C)CC2CC[NH2+]CC2)c1Cl ZINC001235433553 819096797 /nfs/dbraw/zinc/09/67/97/819096797.db2.gz LXTYIFBFLGRRHX-UHFFFAOYSA-N 2 1 272.845 3.141 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccccc1CCc1ccccc1 ZINC001235435353 819098660 /nfs/dbraw/zinc/09/86/60/819098660.db2.gz KZWSXDZMLFPZJR-UHFFFAOYSA-N 2 1 282.431 3.252 20 0 CGADMP C[C@H]([NH3+])C[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC001235664602 819131840 /nfs/dbraw/zinc/13/18/40/819131840.db2.gz JOFCNRKANFFQHH-KRWDZBQOSA-N 2 1 294.442 3.416 20 0 CGADMP Cc1c(C)c(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1Cl ZINC001235673760 819133648 /nfs/dbraw/zinc/13/36/48/819133648.db2.gz DARGNJOANQMCBZ-CYBMUJFWSA-N 2 1 266.816 3.128 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001235673991 819134851 /nfs/dbraw/zinc/13/48/51/819134851.db2.gz KIFOMMOWNXETQW-BMFZPTHFSA-N 2 1 294.389 3.314 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001235673991 819134855 /nfs/dbraw/zinc/13/48/55/819134855.db2.gz KIFOMMOWNXETQW-BMFZPTHFSA-N 2 1 294.389 3.314 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235675312 819135011 /nfs/dbraw/zinc/13/50/11/819135011.db2.gz VNRVEKUYMYOSRL-RTBURBONSA-N 2 1 286.463 3.331 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235675307 819135394 /nfs/dbraw/zinc/13/53/94/819135394.db2.gz VMCFPIIXCXAKIY-QGZVFWFLSA-N 2 1 260.425 3.070 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235679853 819139846 /nfs/dbraw/zinc/13/98/46/819139846.db2.gz RPMSQSBLTVMNJV-FUHWJXTLSA-N 2 1 288.435 3.364 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235714528 819150317 /nfs/dbraw/zinc/15/03/17/819150317.db2.gz MLEVKHZGKUNFAW-UHFFFAOYSA-N 2 1 260.425 3.125 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1Cl ZINC001235716716 819150473 /nfs/dbraw/zinc/15/04/73/819150473.db2.gz HRJHFWGORMAKOY-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+](C)CCC2CC[NH2+]CC2)o1 ZINC001235715214 819150832 /nfs/dbraw/zinc/15/08/32/819150832.db2.gz SLSHKKJREOOCMP-AWEZNQCLSA-N 2 1 278.440 3.403 20 0 CGADMP Cc1cc(C)c(Cl)c(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC001235752984 819161332 /nfs/dbraw/zinc/16/13/32/819161332.db2.gz WEVYMUAMLYBJBN-UHFFFAOYSA-N 2 1 266.816 3.270 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2cc(C)c(OC(C)C)c(C)c2)CC1 ZINC001235794052 819168571 /nfs/dbraw/zinc/16/85/71/819168571.db2.gz JGVRFHSDDULGOF-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP Clc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001235828297 819178066 /nfs/dbraw/zinc/17/80/66/819178066.db2.gz ZVARHWIDYKMRRA-KBPBESRZSA-N 2 1 278.827 3.129 20 0 CGADMP C[N@H+](CCc1ccccc1Cl)CC[C@H]1CCC[NH2+]C1 ZINC001235839435 819181925 /nfs/dbraw/zinc/18/19/25/819181925.db2.gz RPFCKFFQNBAIHY-CQSZACIVSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@H+](Cc1ccc(Cc2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235840790 819182650 /nfs/dbraw/zinc/18/26/50/819182650.db2.gz AJPSIHAVHMQXAX-FQEVSTJZSA-N 2 1 294.442 3.319 20 0 CGADMP C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC001235854654 819186219 /nfs/dbraw/zinc/18/62/19/819186219.db2.gz MQZWFSUXVFMVGB-PMPSAXMXSA-N 2 1 250.430 3.031 20 0 CGADMP Clc1cccc([C@H]2CC[N@@H+](CCC3C[NH2+]C3)C2)c1Cl ZINC001235885179 819196853 /nfs/dbraw/zinc/19/68/53/819196853.db2.gz SAYHAGSBSAPXIJ-LBPRGKRZSA-N 2 1 299.245 3.392 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001235892241 819201687 /nfs/dbraw/zinc/20/16/87/819201687.db2.gz NIZRETJIWWZOIO-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001235892241 819201694 /nfs/dbraw/zinc/20/16/94/819201694.db2.gz NIZRETJIWWZOIO-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP CC[C@H]([NH3+])C[NH+]1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001235897119 819207067 /nfs/dbraw/zinc/20/70/67/819207067.db2.gz QAIMOZHMRVHGOL-ZDUSSCGKSA-N 2 1 298.833 3.471 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235928161 819226009 /nfs/dbraw/zinc/22/60/09/819226009.db2.gz QVLDSEXGMMZPOP-QGZVFWFLSA-N 2 1 258.409 3.097 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235939116 819233229 /nfs/dbraw/zinc/23/32/29/819233229.db2.gz NVCLPERFKTXERM-ROUUACIJSA-N 2 1 272.436 3.071 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)c1C ZINC001235939529 819233873 /nfs/dbraw/zinc/23/38/73/819233873.db2.gz PUBVDONAPTUDCS-MSOLQXFVSA-N 2 1 286.463 3.270 20 0 CGADMP COCC[N@@H+](CC[C@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001235947006 819236133 /nfs/dbraw/zinc/23/61/33/819236133.db2.gz UJKKSKBZPZLETG-HNNXBMFYSA-N 2 1 284.488 3.149 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235950292 819240314 /nfs/dbraw/zinc/24/03/14/819240314.db2.gz YWSLYLPMHZAXQL-ZBFHGGJFSA-N 2 1 276.424 3.220 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1CC ZINC001235950635 819242278 /nfs/dbraw/zinc/24/22/78/819242278.db2.gz JNRPZHMRSSRWJE-MRXNPFEDSA-N 2 1 290.451 3.079 20 0 CGADMP CCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](C)[NH3+] ZINC001235962212 819251622 /nfs/dbraw/zinc/25/16/22/819251622.db2.gz HOMPQEBDNRFGER-LLVKDONJSA-N 2 1 285.229 3.008 20 0 CGADMP CCC[N@H+](Cc1cccc(Br)c1)C[C@@H](C)[NH3+] ZINC001235962212 819251626 /nfs/dbraw/zinc/25/16/26/819251626.db2.gz HOMPQEBDNRFGER-LLVKDONJSA-N 2 1 285.229 3.008 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001235959763 819247373 /nfs/dbraw/zinc/24/73/73/819247373.db2.gz KDALTKNZPZGAQX-QGZVFWFLSA-N 2 1 260.425 3.385 20 0 CGADMP FC1(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC[NH2+]CC1 ZINC001235960182 819247481 /nfs/dbraw/zinc/24/74/81/819247481.db2.gz PLSTZFIWLYNJMT-QGZVFWFLSA-N 2 1 290.426 3.348 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(C)c1Cl ZINC001235960015 819247751 /nfs/dbraw/zinc/24/77/51/819247751.db2.gz RSIXCZRNOGBQEW-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)CC1(C)CC[NH2+]CC1 ZINC001235959857 819248241 /nfs/dbraw/zinc/24/82/41/819248241.db2.gz LWJJPCFSDQCWLI-RMKNXTFCSA-N 2 1 258.409 3.021 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235959736 819248255 /nfs/dbraw/zinc/24/82/55/819248255.db2.gz NLVCOHPVMIYANT-BCDXTJNWSA-N 2 1 272.436 3.054 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235959582 819248318 /nfs/dbraw/zinc/24/83/18/819248318.db2.gz KDXNIXSSSPOGJZ-BCDXTJNWSA-N 2 1 272.436 3.198 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235962880 819251841 /nfs/dbraw/zinc/25/18/41/819251841.db2.gz PPHKHBVIJJVROD-UHFFFAOYSA-N 2 1 298.405 3.494 20 0 CGADMP CC[N@@H+](CCCCC[NH3+])Cc1ccc(Br)cc1 ZINC001235963696 819252576 /nfs/dbraw/zinc/25/25/76/819252576.db2.gz YRGXRNDJRMKXJV-UHFFFAOYSA-N 2 1 299.256 3.400 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001236007385 819270517 /nfs/dbraw/zinc/27/05/17/819270517.db2.gz AGHZVSNZIFHZLN-INIZCTEOSA-N 2 1 278.415 3.209 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCCCCc2ccccc2)C1 ZINC001236045954 819283699 /nfs/dbraw/zinc/28/36/99/819283699.db2.gz YIBVVASMMVNVAO-WBVHZDCISA-N 2 1 260.425 3.069 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236066790 819298325 /nfs/dbraw/zinc/29/83/25/819298325.db2.gz JVSHLLOHTIHIKV-INIZCTEOSA-N 2 1 292.426 3.299 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236071946 819300618 /nfs/dbraw/zinc/30/06/18/819300618.db2.gz NBDUIDBCOOHRHF-ZDUSSCGKSA-N 2 1 298.455 3.341 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001236096767 819315437 /nfs/dbraw/zinc/31/54/37/819315437.db2.gz FYDUJCIEPPWHAJ-DUVNUKRYSA-N 2 1 278.827 3.127 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236210332 819372957 /nfs/dbraw/zinc/37/29/57/819372957.db2.gz BNLABUBATIUOBB-RDJZCZTQSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236210332 819372963 /nfs/dbraw/zinc/37/29/63/819372963.db2.gz BNLABUBATIUOBB-RDJZCZTQSA-N 2 1 271.408 3.178 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)C[C@@H]2CCC(C)=C[C@H]2C)CC1 ZINC001236212643 819373799 /nfs/dbraw/zinc/37/37/99/819373799.db2.gz KCUVIPISPDOYIC-XNIRIUNOSA-N 2 1 264.457 3.441 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215395 819378917 /nfs/dbraw/zinc/37/89/17/819378917.db2.gz HRGCSCJFOYHKPM-ZWKOTPCHSA-N 2 1 290.451 3.484 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215395 819378921 /nfs/dbraw/zinc/37/89/21/819378921.db2.gz HRGCSCJFOYHKPM-ZWKOTPCHSA-N 2 1 290.451 3.484 20 0 CGADMP CC(C)COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236214820 819379219 /nfs/dbraw/zinc/37/92/19/819379219.db2.gz FNSLASCLVGUGIY-MSOLQXFVSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236214820 819379222 /nfs/dbraw/zinc/37/92/22/819379222.db2.gz FNSLASCLVGUGIY-MSOLQXFVSA-N 2 1 290.451 3.423 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(C)cc2OC)CC1 ZINC001236216006 819380904 /nfs/dbraw/zinc/38/09/04/819380904.db2.gz GLTXPRTXJXGPPX-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1ccnc2cccc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c12 ZINC001236216712 819381200 /nfs/dbraw/zinc/38/12/00/819381200.db2.gz LXSANUPHIGQYMU-DOTOQJQBSA-N 2 1 283.419 3.245 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217388 819381906 /nfs/dbraw/zinc/38/19/06/819381906.db2.gz OSVZZEDBUGALGT-PKOBYXMFSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217388 819381910 /nfs/dbraw/zinc/38/19/10/819381910.db2.gz OSVZZEDBUGALGT-PKOBYXMFSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)C1(C)CC[NH2+]CC1 ZINC001236223162 819389722 /nfs/dbraw/zinc/38/97/22/819389722.db2.gz LORFXBQVMFDIRS-UHFFFAOYSA-N 2 1 268.404 3.414 20 0 CGADMP CCCOc1ccccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236225772 819391540 /nfs/dbraw/zinc/39/15/40/819391540.db2.gz GCEPYCYAXODYKY-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CCCOc1ccccc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236225772 819391545 /nfs/dbraw/zinc/39/15/45/819391545.db2.gz GCEPYCYAXODYKY-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CC[N@@H+](CCC[NH2+]C)Cc1ccc(C(F)(F)F)cc1 ZINC001236239011 819397687 /nfs/dbraw/zinc/39/76/87/819397687.db2.gz DSLXMYBTBJLBJS-UHFFFAOYSA-N 2 1 274.330 3.137 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C)c1Cl ZINC001236321715 819424902 /nfs/dbraw/zinc/42/49/02/819424902.db2.gz ORLBJNQQRFWSBR-IYBDPMFKSA-N 2 1 292.854 3.388 20 0 CGADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1C1CC1 ZINC001236322314 819424963 /nfs/dbraw/zinc/42/49/63/819424963.db2.gz XCRJTGLRHGQFLK-IYBDPMFKSA-N 2 1 288.410 3.135 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236375474 819442868 /nfs/dbraw/zinc/44/28/68/819442868.db2.gz YLOOKUKXBGLXFD-INIZCTEOSA-N 2 1 289.467 3.376 20 0 CGADMP CC[N@H+](Cc1ccc2ccsc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236408105 819456371 /nfs/dbraw/zinc/45/63/71/819456371.db2.gz KXSCMFLOCQPBGO-CQSZACIVSA-N 2 1 274.433 3.333 20 0 CGADMP CC[N@H+](Cc1ccc2cc(OC)ccc2c1)C[C@H]1CC[NH2+]C1 ZINC001236409032 819456566 /nfs/dbraw/zinc/45/65/66/819456566.db2.gz RCKBUTSSLJLDQP-INIZCTEOSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+](Cc1ccc(OC)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236409187 819456727 /nfs/dbraw/zinc/45/67/27/819456727.db2.gz YJJROKNABKJPBZ-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+](Cc1ccc(C2CCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236412484 819458989 /nfs/dbraw/zinc/45/89/89/819458989.db2.gz VLUGVBNEHBGAFG-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236415666 819461164 /nfs/dbraw/zinc/46/11/64/819461164.db2.gz PHJSTDUNOGOZBV-UIBBOPPKSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236415666 819461167 /nfs/dbraw/zinc/46/11/67/819461167.db2.gz PHJSTDUNOGOZBV-UIBBOPPKSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001236415421 819461374 /nfs/dbraw/zinc/46/13/74/819461374.db2.gz OCYUHBMZGFCIQC-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001236415421 819461378 /nfs/dbraw/zinc/46/13/78/819461378.db2.gz OCYUHBMZGFCIQC-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236418372 819465104 /nfs/dbraw/zinc/46/51/04/819465104.db2.gz HCIQEXINDGNODH-FVQBIDKESA-N 2 1 278.827 3.127 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236418372 819465106 /nfs/dbraw/zinc/46/51/06/819465106.db2.gz HCIQEXINDGNODH-FVQBIDKESA-N 2 1 278.827 3.127 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2F)CC2CC2)CC1 ZINC001236552495 819535175 /nfs/dbraw/zinc/53/51/75/819535175.db2.gz RAQBDLNNBRYKJU-WKILWMFISA-N 2 1 294.389 3.447 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3c(c2)NCC3)CC2CC2)CC1 ZINC001236552951 819535320 /nfs/dbraw/zinc/53/53/20/819535320.db2.gz VKSJSWSQTJLVQP-IYARVYRRSA-N 2 1 299.462 3.137 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584893 819545801 /nfs/dbraw/zinc/54/58/01/819545801.db2.gz ZSYDCVGBRKWMEI-GVDBMIGSSA-N 2 1 276.468 3.443 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC001236605324 819549740 /nfs/dbraw/zinc/54/97/40/819549740.db2.gz QVEJYUFAMOSVFP-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC001236604327 819551160 /nfs/dbraw/zinc/55/11/60/819551160.db2.gz MFEOEEVEWRDVBM-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236616477 819553871 /nfs/dbraw/zinc/55/38/71/819553871.db2.gz NTZXVSXJWYYYHW-SFHVURJKSA-N 2 1 290.451 3.261 20 0 CGADMP Clc1ccccc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634535 819557358 /nfs/dbraw/zinc/55/73/58/819557358.db2.gz VMSJFSYTIYYDBE-UHFFFAOYSA-N 2 1 278.827 3.447 20 0 CGADMP Clc1ccccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634535 819557360 /nfs/dbraw/zinc/55/73/60/819557360.db2.gz VMSJFSYTIYYDBE-UHFFFAOYSA-N 2 1 278.827 3.447 20 0 CGADMP Cc1c(F)ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c1F ZINC001236638354 819557488 /nfs/dbraw/zinc/55/74/88/819557488.db2.gz ZWAGUUPHQUZRLG-UHFFFAOYSA-N 2 1 294.389 3.380 20 0 CGADMP Cc1c(F)ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1F ZINC001236638354 819557490 /nfs/dbraw/zinc/55/74/90/819557490.db2.gz ZWAGUUPHQUZRLG-UHFFFAOYSA-N 2 1 294.389 3.380 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2sccc21 ZINC001236683815 819571047 /nfs/dbraw/zinc/57/10/47/819571047.db2.gz UWWVAGLXCLVYQZ-UHFFFAOYSA-N 2 1 262.422 3.285 20 0 CGADMP CCC[N@@H+](CCc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236830347 819611426 /nfs/dbraw/zinc/61/14/26/819611426.db2.gz NHEYUROESDONCS-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP CCC[N@H+](Cc1ccc(OCC)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236833427 819612671 /nfs/dbraw/zinc/61/26/71/819612671.db2.gz BCTCUJUULWHTFP-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP CCC[N@H+](Cc1c(C)cc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236833305 819613953 /nfs/dbraw/zinc/61/39/53/819613953.db2.gz ADZSXCJIBKQHAP-KRWDZBQOSA-N 2 1 274.452 3.433 20 0 CGADMP CCC[N@H+](Cc1[nH]c2ccccc2c1C)C[C@@H]1CC[NH2+]C1 ZINC001236836452 819617243 /nfs/dbraw/zinc/61/72/43/819617243.db2.gz VJBPMXJCRUYKOS-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055118 819653971 /nfs/dbraw/zinc/65/39/71/819653971.db2.gz AHHNMIGCDJTRKU-IBGZPJMESA-N 2 1 298.430 3.409 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237080229 819661688 /nfs/dbraw/zinc/66/16/88/819661688.db2.gz FWTGDTIZPPMJOW-GOSISDBHSA-N 2 1 274.452 3.446 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083720 819663655 /nfs/dbraw/zinc/66/36/55/819663655.db2.gz YEPYQGXEIHEIGM-INIZCTEOSA-N 2 1 264.388 3.003 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC3(C1)CCCCC3)CC[NH2+]C2 ZINC001237204288 819697237 /nfs/dbraw/zinc/69/72/37/819697237.db2.gz MNEWCMKLSRBUAE-UHFFFAOYSA-N 2 1 284.447 3.489 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237383838 819737624 /nfs/dbraw/zinc/73/76/24/819737624.db2.gz RZVWVBZELQOBIP-QAETUUGQSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237383838 819737625 /nfs/dbraw/zinc/73/76/25/819737625.db2.gz RZVWVBZELQOBIP-QAETUUGQSA-N 2 1 262.441 3.053 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1)c1ccccc1 ZINC001237384928 819740784 /nfs/dbraw/zinc/74/07/84/819740784.db2.gz ZATQPGLCXLZJQH-SJLPKXTDSA-N 2 1 286.463 3.428 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237404617 819745515 /nfs/dbraw/zinc/74/55/15/819745515.db2.gz OBOCHOSMKDSECR-ZWKOTPCHSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237415455 819746469 /nfs/dbraw/zinc/74/64/69/819746469.db2.gz OAYMWTINNWXNAS-BBRMVZONSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237415455 819746475 /nfs/dbraw/zinc/74/64/75/819746475.db2.gz OAYMWTINNWXNAS-BBRMVZONSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1ccc(O)cc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001238099301 819933396 /nfs/dbraw/zinc/93/33/96/819933396.db2.gz OPDIXBNBKSLUNG-UHFFFAOYSA-N 2 1 290.451 3.253 20 0 CGADMP CC(C)C1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238119344 819937664 /nfs/dbraw/zinc/93/76/64/819937664.db2.gz MTVRBRFXMILWIE-UHFFFAOYSA-N 2 1 257.381 3.202 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3cccc4cncn43)C2)c1 ZINC001238119705 819938041 /nfs/dbraw/zinc/93/80/41/819938041.db2.gz QKZCZVSRDYJZMZ-OAHLLOKOSA-N 2 1 295.361 3.463 20 0 CGADMP Fc1cccc([C@@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238119705 819938047 /nfs/dbraw/zinc/93/80/47/819938047.db2.gz QKZCZVSRDYJZMZ-OAHLLOKOSA-N 2 1 295.361 3.463 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238119705 819938052 /nfs/dbraw/zinc/93/80/52/819938052.db2.gz QKZCZVSRDYJZMZ-OAHLLOKOSA-N 2 1 295.361 3.463 20 0 CGADMP CCOc1ccccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001239559533 820411210 /nfs/dbraw/zinc/41/12/10/820411210.db2.gz PLJJBEGKBJUSFH-UHFFFAOYSA-N 2 1 293.370 3.087 20 0 CGADMP Cc1cnc(C2=CCC[N@@H+](Cc3ccccc3)C2)c(C[NH3+])c1 ZINC001240385634 821009530 /nfs/dbraw/zinc/00/95/30/821009530.db2.gz CFYQSQFKXDNWQI-UHFFFAOYSA-N 2 1 293.414 3.138 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1cccc([C@@H](C)[NH3+])c1 ZINC001241248921 821669854 /nfs/dbraw/zinc/66/98/54/821669854.db2.gz YXVBBHOZUHINDH-GFCCVEGCSA-N 2 1 255.365 3.143 20 0 CGADMP C[N@@H+]1CC=C(c2ccc3[nH]c4cc[nH+]cc4c3c2)CC1 ZINC001241331818 821739173 /nfs/dbraw/zinc/73/91/73/821739173.db2.gz FDRDQRHPANERNJ-UHFFFAOYSA-N 2 1 263.344 3.435 20 0 CGADMP C[N@H+]1CCC=C(c2ccccc2C[NH+]2CCCCC2)C1 ZINC001241569601 821954943 /nfs/dbraw/zinc/95/49/43/821954943.db2.gz IKLZMTVLKCCKDQ-UHFFFAOYSA-N 2 1 270.420 3.391 20 0 CGADMP COc1ccc(C2=CCC[N@@H+](C)C2)cc1C[NH+]1CCCC1 ZINC001241571953 821959584 /nfs/dbraw/zinc/95/95/84/821959584.db2.gz LDSBKNPYHMHNSU-UHFFFAOYSA-N 2 1 286.419 3.010 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1cccc(C2CC[NH2+]CC2)c1 ZINC001242089853 822346052 /nfs/dbraw/zinc/34/60/52/822346052.db2.gz HLPQTEJZVSVSHN-UHFFFAOYSA-N 2 1 267.376 3.106 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001342709874 936476393 /nfs/dbraw/zinc/47/63/93/936476393.db2.gz NSLDDVMELMIWMJ-FVQBIDKESA-N 2 1 252.446 3.418 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001345956169 936831264 /nfs/dbraw/zinc/83/12/64/936831264.db2.gz MKBMFVOKOAVNOX-HNQUOIGGSA-N 2 1 288.410 3.305 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001350359753 936989302 /nfs/dbraw/zinc/98/93/02/936989302.db2.gz YSFVVEFOVSHHMW-ZDUSSCGKSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C)CC12CC2 ZINC001167841606 927030049 /nfs/dbraw/zinc/03/00/49/927030049.db2.gz NATBWIPOMUJWFW-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(F)c1 ZINC001355372711 937138701 /nfs/dbraw/zinc/13/87/01/937138701.db2.gz FHHFTGLEWBREBX-BHYGNILZSA-N 2 1 290.426 3.296 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]2C1 ZINC001355373196 937138852 /nfs/dbraw/zinc/13/88/52/937138852.db2.gz KAMRRHAHBYZKNC-JJRVBVJISA-N 2 1 294.389 3.127 20 0 CGADMP COC1(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCCCCC1 ZINC001560933295 937238978 /nfs/dbraw/zinc/23/89/78/937238978.db2.gz JKLKAOMHXLHYTN-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP COCC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001459541105 937490807 /nfs/dbraw/zinc/49/08/07/937490807.db2.gz KGIBUEVJGUJDMH-FUHWJXTLSA-N 2 1 290.451 3.038 20 0 CGADMP COCC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001459541105 937490809 /nfs/dbraw/zinc/49/08/09/937490809.db2.gz KGIBUEVJGUJDMH-FUHWJXTLSA-N 2 1 290.451 3.038 20 0 CGADMP COCC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001459541105 937490811 /nfs/dbraw/zinc/49/08/11/937490811.db2.gz KGIBUEVJGUJDMH-FUHWJXTLSA-N 2 1 290.451 3.038 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001459575755 937492227 /nfs/dbraw/zinc/49/22/27/937492227.db2.gz IRLFZLOOUOLNNI-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001459575755 937492228 /nfs/dbraw/zinc/49/22/28/937492228.db2.gz IRLFZLOOUOLNNI-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001459575755 937492230 /nfs/dbraw/zinc/49/22/30/937492230.db2.gz IRLFZLOOUOLNNI-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC12CCC(CC1)C2 ZINC001459628076 937494259 /nfs/dbraw/zinc/49/42/59/937494259.db2.gz AMVDPFYHROYWGG-GMRIPVOYSA-N 2 1 262.441 3.125 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001460559587 937535272 /nfs/dbraw/zinc/53/52/72/937535272.db2.gz JOQGZIOJCZYZBY-SZMVWBNQSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)cn1 ZINC001461071438 937562382 /nfs/dbraw/zinc/56/23/82/937562382.db2.gz GNJCPHKODLODSU-PBHICJAKSA-N 2 1 298.434 3.492 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(CC2CCC2)c1 ZINC001461119174 937564933 /nfs/dbraw/zinc/56/49/33/937564933.db2.gz JWWQZOQYTFQYCY-UHFFFAOYSA-N 2 1 283.419 3.324 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001461372304 937578217 /nfs/dbraw/zinc/57/82/17/937578217.db2.gz BOFVDPGETYDDJI-FGTMMUONSA-N 2 1 296.499 3.149 20 0 CGADMP CC[N@@H+](CCC[NH2+]CC1(C)CC1)C1CCCCC1 ZINC001461617796 937588857 /nfs/dbraw/zinc/58/88/57/937588857.db2.gz XWPAGJDVCSNFFZ-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001461644388 937590117 /nfs/dbraw/zinc/59/01/17/937590117.db2.gz WTCFIKQHHSOCFF-XYJFISCASA-N 2 1 294.483 3.331 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001461644388 937590119 /nfs/dbraw/zinc/59/01/19/937590119.db2.gz WTCFIKQHHSOCFF-XYJFISCASA-N 2 1 294.483 3.331 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC001462263806 937628484 /nfs/dbraw/zinc/62/84/84/937628484.db2.gz HRWMYMWVQBWNIL-OKZBNKHCSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462442865 937641955 /nfs/dbraw/zinc/64/19/55/937641955.db2.gz QHCZJFSZTUWVLN-HYVNUMGLSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462442865 937641957 /nfs/dbraw/zinc/64/19/57/937641957.db2.gz QHCZJFSZTUWVLN-HYVNUMGLSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC001308394735 933105122 /nfs/dbraw/zinc/10/51/22/933105122.db2.gz DULFCOWUYPSYKT-OAHLLOKOSA-N 2 1 274.452 3.252 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC001308394735 933105127 /nfs/dbraw/zinc/10/51/27/933105127.db2.gz DULFCOWUYPSYKT-OAHLLOKOSA-N 2 1 274.452 3.252 20 0 CGADMP CC(C)C1(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)CC1 ZINC001462675136 937658923 /nfs/dbraw/zinc/65/89/23/937658923.db2.gz YYGLSTUVTWEBID-HDICACEKSA-N 2 1 276.468 3.230 20 0 CGADMP CC(C)C1(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)CC1 ZINC001462675136 937658925 /nfs/dbraw/zinc/65/89/25/937658925.db2.gz YYGLSTUVTWEBID-HDICACEKSA-N 2 1 276.468 3.230 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748932 933169778 /nfs/dbraw/zinc/16/97/78/933169778.db2.gz XRAQPAUKYLZDFG-VQTJNVASSA-N 2 1 298.474 3.482 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748932 933169779 /nfs/dbraw/zinc/16/97/79/933169779.db2.gz XRAQPAUKYLZDFG-VQTJNVASSA-N 2 1 298.474 3.482 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748932 933169781 /nfs/dbraw/zinc/16/97/81/933169781.db2.gz XRAQPAUKYLZDFG-VQTJNVASSA-N 2 1 298.474 3.482 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2scnc2c1 ZINC001308970043 933217527 /nfs/dbraw/zinc/21/75/27/933217527.db2.gz ASHUFGCCQFWTNB-UHFFFAOYSA-N 2 1 291.464 3.316 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2scnc2c1 ZINC001308970043 933217530 /nfs/dbraw/zinc/21/75/30/933217530.db2.gz ASHUFGCCQFWTNB-UHFFFAOYSA-N 2 1 291.464 3.316 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](CC(C)C)c2ccccn2)C1 ZINC001319199296 933841721 /nfs/dbraw/zinc/84/17/21/933841721.db2.gz VIOKNQORHXIHNJ-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC001319199296 933841730 /nfs/dbraw/zinc/84/17/30/933841730.db2.gz VIOKNQORHXIHNJ-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319395803 933868681 /nfs/dbraw/zinc/86/86/81/933868681.db2.gz YJKKDDSNGLSRQH-VHDGCEQUSA-N 2 1 266.454 3.142 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913419 933956255 /nfs/dbraw/zinc/95/62/55/933956255.db2.gz UWIOOGXCJRACAB-RHSMWYFYSA-N 2 1 293.430 3.239 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913419 933956267 /nfs/dbraw/zinc/95/62/67/933956267.db2.gz UWIOOGXCJRACAB-RHSMWYFYSA-N 2 1 293.430 3.239 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(F)cc2F)C1 ZINC001319990018 933974542 /nfs/dbraw/zinc/97/45/42/933974542.db2.gz VZFXGHRNHWLNLY-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(F)cc2F)C1 ZINC001319990018 933974553 /nfs/dbraw/zinc/97/45/53/933974553.db2.gz VZFXGHRNHWLNLY-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001319990018 933974561 /nfs/dbraw/zinc/97/45/61/933974561.db2.gz VZFXGHRNHWLNLY-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001319990018 933974567 /nfs/dbraw/zinc/97/45/67/933974567.db2.gz VZFXGHRNHWLNLY-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001320442103 934049051 /nfs/dbraw/zinc/04/90/51/934049051.db2.gz VJKLNYYJLNYRLB-ZJPYXAASSA-N 2 1 272.436 3.253 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001322271849 934266546 /nfs/dbraw/zinc/26/65/46/934266546.db2.gz IEHDTXJQVJDRPU-KSSFIOAISA-N 2 1 288.410 3.231 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001322271849 934266557 /nfs/dbraw/zinc/26/65/57/934266557.db2.gz IEHDTXJQVJDRPU-KSSFIOAISA-N 2 1 288.410 3.231 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC001322634373 934322736 /nfs/dbraw/zinc/32/27/36/934322736.db2.gz TVXSVWRLYLEUOI-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC001323929717 934439400 /nfs/dbraw/zinc/43/94/00/934439400.db2.gz NVDORJTVRIMLDN-HZPDHXFCSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC001323929717 934439402 /nfs/dbraw/zinc/43/94/02/934439402.db2.gz NVDORJTVRIMLDN-HZPDHXFCSA-N 2 1 262.441 3.244 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325597626 934920263 /nfs/dbraw/zinc/92/02/63/934920263.db2.gz JGBDVDIVGYUZBU-FVQBIDKESA-N 2 1 264.413 3.063 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC001325722854 934924882 /nfs/dbraw/zinc/92/48/82/934924882.db2.gz OPCAIXBAPXTQTD-RYUDHWBXSA-N 2 1 276.380 3.090 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC001326037172 934945615 /nfs/dbraw/zinc/94/56/15/934945615.db2.gz WOZFLXSYXWEXEK-AAEUAGOBSA-N 2 1 260.381 3.390 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C1CCCCC1 ZINC001326623978 934994749 /nfs/dbraw/zinc/99/47/49/934994749.db2.gz NTCTYMBAQVZITP-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001327722662 935081544 /nfs/dbraw/zinc/08/15/44/935081544.db2.gz SPTSZXYTQPAAPI-OKILXGFUSA-N 2 1 269.392 3.295 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC001329025136 935180579 /nfs/dbraw/zinc/18/05/79/935180579.db2.gz ZCBSEVFWXCALGO-SWLSCSKDSA-N 2 1 296.842 3.450 20 0 CGADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)C1 ZINC001329226412 935197844 /nfs/dbraw/zinc/19/78/44/935197844.db2.gz YMDWXDSSRHSYKE-HZPDHXFCSA-N 2 1 296.503 3.047 20 0 CGADMP C(C1CCC1)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001329925719 935255175 /nfs/dbraw/zinc/25/51/75/935255175.db2.gz NJLINPLWDLTQKL-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC001330070846 935265256 /nfs/dbraw/zinc/26/52/56/935265256.db2.gz UWQCXKNBLQTLCJ-YOEHRIQHSA-N 2 1 288.435 3.091 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC001330070844 935265522 /nfs/dbraw/zinc/26/55/22/935265522.db2.gz UWQCXKNBLQTLCJ-RHSMWYFYSA-N 2 1 288.435 3.091 20 0 CGADMP c1c2c(oc1-c1ccccc1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC001330545076 935295215 /nfs/dbraw/zinc/29/52/15/935295215.db2.gz POAJGYVEDYTEJB-OAHLLOKOSA-N 2 1 296.414 3.304 20 0 CGADMP c1c2c(oc1-c1ccccc1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC001330545076 935295219 /nfs/dbraw/zinc/29/52/19/935295219.db2.gz POAJGYVEDYTEJB-OAHLLOKOSA-N 2 1 296.414 3.304 20 0 CGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CC[C@H](C)[NH2+]C)oc21 ZINC001331835916 935413578 /nfs/dbraw/zinc/41/35/78/935413578.db2.gz TXENWZLRDAROHK-QWHCGFSZSA-N 2 1 290.407 3.480 20 0 CGADMP Cc1ccsc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001333891331 936073984 /nfs/dbraw/zinc/07/39/84/936073984.db2.gz KIOQKVXQCPHNRE-KKUMJFAQSA-N 2 1 278.465 3.219 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)c1 ZINC001334738463 936110548 /nfs/dbraw/zinc/11/05/48/936110548.db2.gz PEZMFBKWQVFITA-CRAIPNDOSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001335433334 936145357 /nfs/dbraw/zinc/14/53/57/936145357.db2.gz PMPQEFMOSYJWTE-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001335433334 936145358 /nfs/dbraw/zinc/14/53/58/936145358.db2.gz PMPQEFMOSYJWTE-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP C[N@H+]1C[C@]23C[NH+](C[C@H]4CCC(F)(F)C4)C[C@@]2(C1)CCCC3 ZINC001473901938 937829135 /nfs/dbraw/zinc/82/91/35/937829135.db2.gz OZQNBYGMPQCKTC-HRCADAONSA-N 2 1 298.421 3.230 20 0 CGADMP C[NH+]1C[C@]23C[N@H+](C[C@H]4CCC(F)(F)C4)C[C@@]2(C1)CCCC3 ZINC001473901938 937829137 /nfs/dbraw/zinc/82/91/37/937829137.db2.gz OZQNBYGMPQCKTC-HRCADAONSA-N 2 1 298.421 3.230 20 0 CGADMP C[NH+]1C[C@]23C[N@@H+](C[C@H]4CCC(F)(F)C4)C[C@@]2(C1)CCCC3 ZINC001473901938 937829138 /nfs/dbraw/zinc/82/91/38/937829138.db2.gz OZQNBYGMPQCKTC-HRCADAONSA-N 2 1 298.421 3.230 20 0 CGADMP COc1cc(C)ccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001473917049 937830031 /nfs/dbraw/zinc/83/00/31/937830031.db2.gz RQABUDFQLPYNOD-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001473951954 937832027 /nfs/dbraw/zinc/83/20/27/937832027.db2.gz GJJJULUBEVYYKP-CYBMUJFWSA-N 2 1 287.382 3.008 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC001474451336 937860619 /nfs/dbraw/zinc/86/06/19/937860619.db2.gz BXZJRDIIFGJDFU-OCCSQVGLSA-N 2 1 292.389 3.381 20 0 CGADMP C[C@H](CC1CCCCC1)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001474729955 937877666 /nfs/dbraw/zinc/87/76/66/937877666.db2.gz NWIGMMFEXWSXLJ-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H](CC1CCCCC1)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001474729955 937877667 /nfs/dbraw/zinc/87/76/67/937877667.db2.gz NWIGMMFEXWSXLJ-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H](CC1CCCCC1)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001474729955 937877668 /nfs/dbraw/zinc/87/76/68/937877668.db2.gz NWIGMMFEXWSXLJ-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC001549775772 938159476 /nfs/dbraw/zinc/15/94/76/938159476.db2.gz USUBNRZEVSXTMN-MSOLQXFVSA-N 2 1 272.436 3.397 20 0 CGADMP FC(F)(F)[C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC001550705007 938170247 /nfs/dbraw/zinc/17/02/47/938170247.db2.gz WWJXAKHPDOZIBF-MJBXVCDLSA-N 2 1 290.373 3.041 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001550935118 938172891 /nfs/dbraw/zinc/17/28/91/938172891.db2.gz SSWJCAURLBNGEX-JCHJZTRSSA-N 2 1 284.447 3.112 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001560069530 938243173 /nfs/dbraw/zinc/24/31/73/938243173.db2.gz VFILAYGWZSHQLJ-JBGNVSFKSA-N 2 1 270.848 3.325 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001560069530 938243174 /nfs/dbraw/zinc/24/31/74/938243174.db2.gz VFILAYGWZSHQLJ-JBGNVSFKSA-N 2 1 270.848 3.325 20 0 CGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCc1ccccc1 ZINC001560137121 938244756 /nfs/dbraw/zinc/24/47/56/938244756.db2.gz SZWVFOGRHRZNNU-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCc1ccccc1 ZINC001560137121 938244757 /nfs/dbraw/zinc/24/47/57/938244757.db2.gz SZWVFOGRHRZNNU-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCc1ccccc1 ZINC001560137121 938244758 /nfs/dbraw/zinc/24/47/58/938244758.db2.gz SZWVFOGRHRZNNU-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCc1ccccc1 ZINC001560137121 938244759 /nfs/dbraw/zinc/24/47/59/938244759.db2.gz SZWVFOGRHRZNNU-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCc1ccccc1 ZINC001560137121 938244760 /nfs/dbraw/zinc/24/47/60/938244760.db2.gz SZWVFOGRHRZNNU-ZWKOTPCHSA-N 2 1 272.436 3.178 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH2+]CCC[NH+]2CCC2)c(C)c1 ZINC001560427954 938257911 /nfs/dbraw/zinc/25/79/11/938257911.db2.gz VMTAJOHHGLIAOU-DAXSKMNVSA-N 2 1 272.436 3.310 20 0 CGADMP Cc1ccc(F)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC001560434302 938258291 /nfs/dbraw/zinc/25/82/91/938258291.db2.gz RQLXRCFALHQYLS-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001560461075 938258718 /nfs/dbraw/zinc/25/87/18/938258718.db2.gz IGOGYJBPRVBTNV-XHSDSOJGSA-N 2 1 252.446 3.299 20 0 CGADMP CCO[C@@H](C[NH2+]C1CCC(CC)(CC)CC1)C[NH+](C)C ZINC001560585560 938264095 /nfs/dbraw/zinc/26/40/95/938264095.db2.gz AUIYZXBSRDZTLK-INIZCTEOSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001560756003 938274371 /nfs/dbraw/zinc/27/43/71/938274371.db2.gz XOEWCHVNXIMUNT-KSZLIROESA-N 2 1 296.499 3.293 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCC(C)(C)C2)CC1 ZINC001560804051 938276762 /nfs/dbraw/zinc/27/67/62/938276762.db2.gz PVVHDGXVQAQSEA-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001560814810 938277531 /nfs/dbraw/zinc/27/75/31/938277531.db2.gz IQPKZYFVOXKZSN-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c3CCC4)C[C@@H]2C1 ZINC001561045392 938291131 /nfs/dbraw/zinc/29/11/31/938291131.db2.gz INBBIPSSEBHCMV-NZSAHSFTSA-N 2 1 298.474 3.337 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001561053358 938292410 /nfs/dbraw/zinc/29/24/10/938292410.db2.gz UXWVXSAWJUPFJK-DSLXNQLJSA-N 2 1 286.463 3.246 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C2CC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574774309 960470340 /nfs/dbraw/zinc/47/03/40/960470340.db2.gz KVKKXSUHGJGMNE-ZCJOQKPTSA-N 2 1 262.441 3.029 20 0 CGADMP [NH3+]C[C@@]12C[N@@H+](CCC3CCCCC3)C[C@@H]1CCCC2 ZINC001580256102 960487575 /nfs/dbraw/zinc/48/75/75/960487575.db2.gz RCBDDQYNZOZHFJ-IRXDYDNUSA-N 2 1 264.457 3.408 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001575423392 962373987 /nfs/dbraw/zinc/37/39/87/962373987.db2.gz TWBGNIGNLGUIMJ-BPQIPLTHSA-N 2 1 274.452 3.170 20 0 CGADMP CC(C)C(C[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1)C(C)C ZINC001575428893 962380206 /nfs/dbraw/zinc/38/02/06/962380206.db2.gz OWOIKNQYZSKBCN-WBVHZDCISA-N 2 1 266.473 3.366 20 0 CGADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@@H](C[NH3+])C(C)C ZINC001575594314 962394443 /nfs/dbraw/zinc/39/44/43/962394443.db2.gz WFXRZEMRFWWMOW-GOSISDBHSA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001575812764 962407657 /nfs/dbraw/zinc/40/76/57/962407657.db2.gz APHBNRBMAXQBEK-JKSUJKDBSA-N 2 1 276.424 3.033 20 0 CGADMP CC1(C)CC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC001576396123 962456117 /nfs/dbraw/zinc/45/61/17/962456117.db2.gz VXLLRXGZQSPESS-IAGOWNOFSA-N 2 1 272.436 3.158 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001576798953 962493371 /nfs/dbraw/zinc/49/33/71/962493371.db2.gz ZNWQLLOVECCUPX-HBUWYVDXSA-N 2 1 272.436 3.153 20 0 CGADMP C[C@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@@H]1C[NH3+] ZINC001576806481 962495002 /nfs/dbraw/zinc/49/50/02/962495002.db2.gz FHNPATJIKICRBH-DOTOQJQBSA-N 2 1 298.430 3.135 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001576998590 962511540 /nfs/dbraw/zinc/51/15/40/962511540.db2.gz ZJQPXEWSJFLUIF-OFQRWUPVSA-N 2 1 252.446 3.405 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C(C)(C)[NH3+])no1 ZINC001577254556 962513605 /nfs/dbraw/zinc/51/36/05/962513605.db2.gz LVKLDSXJFNGGMJ-OCCSQVGLSA-N 2 1 279.428 3.269 20 0 CGADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001578485983 962591902 /nfs/dbraw/zinc/59/19/02/962591902.db2.gz GYNKUAXFUUAOCN-XOYOTBSWSA-N 2 1 272.436 3.382 20 0 CGADMP C[N@@H+](Cc1cc2ccnc(Cl)c2s1)C1CC[NH2+]CC1 ZINC001578485482 962596973 /nfs/dbraw/zinc/59/69/73/962596973.db2.gz IJILDOQNPGCGQQ-UHFFFAOYSA-N 2 1 295.839 3.134 20 0 CGADMP Cc1cc(F)ccc1C[NH2+][C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001579613659 962644556 /nfs/dbraw/zinc/64/45/56/962644556.db2.gz HNHVIRWAMXUBMF-HRCADAONSA-N 2 1 276.399 3.000 20 0 CGADMP Cc1ccc(C[NH2+][C@]2(C[NH3+])CCCC[C@H]2C)c(C)c1 ZINC001579696876 962656584 /nfs/dbraw/zinc/65/65/84/962656584.db2.gz KNQPRDKSTAXIAN-WBVHZDCISA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)[C@H](C)C2 ZINC001579737740 962664899 /nfs/dbraw/zinc/66/48/99/962664899.db2.gz OAGOEARJSXGNGD-QKCSRTOESA-N 2 1 286.341 3.098 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001579755265 962669121 /nfs/dbraw/zinc/66/91/21/962669121.db2.gz RYHIZDHXILPGOY-SFHVURJKSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC001579764833 962671782 /nfs/dbraw/zinc/67/17/82/962671782.db2.gz FWNQHMAKMNUMRC-ZDUSSCGKSA-N 2 1 266.816 3.352 20 0 CGADMP Cc1cccc(CCC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC001579759583 962674193 /nfs/dbraw/zinc/67/41/93/962674193.db2.gz NWQTZBIFXILMOL-NUJGCVRESA-N 2 1 274.452 3.233 20 0 CGADMP Cc1ccccc1OCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC001579804870 962679583 /nfs/dbraw/zinc/67/95/83/962679583.db2.gz PMIKBWUAGGLNKB-BBWFWOEESA-N 2 1 290.451 3.069 20 0 CGADMP Fc1cccc([C@H]2C[C@H]2[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001580033350 962686588 /nfs/dbraw/zinc/68/65/88/962686588.db2.gz JKISZAXNDIDOSN-IAGOWNOFSA-N 2 1 288.410 3.147 20 0 CGADMP [NH3+][C@@H](C[NH2+]CC1CCCCCCC1)CC(F)(F)F ZINC001580133432 962694164 /nfs/dbraw/zinc/69/41/64/962694164.db2.gz YNEDHVZHOHCYKU-GFCCVEGCSA-N 2 1 266.351 3.216 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC001580342952 962713121 /nfs/dbraw/zinc/71/31/21/962713121.db2.gz QFWFRVVTFSSXRR-SFHVURJKSA-N 2 1 282.387 3.188 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000651218738 398217493 /nfs/dbraw/zinc/21/74/93/398217493.db2.gz JTDHPMZQXLQBMO-STQMWFEESA-N 2 1 251.418 3.242 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000651228853 398219253 /nfs/dbraw/zinc/21/92/53/398219253.db2.gz MEEYOGQYLPCYFX-HOCLYGCPSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273069751 192036080 /nfs/dbraw/zinc/03/60/80/192036080.db2.gz NCLBJLFEKRQPAQ-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491988 398253665 /nfs/dbraw/zinc/25/36/65/398253665.db2.gz CKVTXHRNLFAARG-CYBMUJFWSA-N 2 1 266.454 3.143 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000096092972 185095640 /nfs/dbraw/zinc/09/56/40/185095640.db2.gz KGDDBLYHGAZAGQ-UHFFFAOYSA-N 2 1 272.436 3.037 20 0 CGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc2cnccc2o1 ZINC000651644892 398261655 /nfs/dbraw/zinc/26/16/55/398261655.db2.gz AQZJBZNXSHORGX-OAHLLOKOSA-N 2 1 287.407 3.134 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2cnccc2o1 ZINC000651644892 398261656 /nfs/dbraw/zinc/26/16/56/398261656.db2.gz AQZJBZNXSHORGX-OAHLLOKOSA-N 2 1 287.407 3.134 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2cnccc2o1 ZINC000651644892 398261657 /nfs/dbraw/zinc/26/16/57/398261657.db2.gz AQZJBZNXSHORGX-OAHLLOKOSA-N 2 1 287.407 3.134 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2cnccc2o1 ZINC000651644892 398261658 /nfs/dbraw/zinc/26/16/58/398261658.db2.gz AQZJBZNXSHORGX-OAHLLOKOSA-N 2 1 287.407 3.134 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2cnccc2o1 ZINC000651644892 398261659 /nfs/dbraw/zinc/26/16/59/398261659.db2.gz AQZJBZNXSHORGX-OAHLLOKOSA-N 2 1 287.407 3.134 20 0 CGADMP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000290220796 197636659 /nfs/dbraw/zinc/63/66/59/197636659.db2.gz QUIOYBPVGNOUJO-MCIONIFRSA-N 2 1 287.407 3.255 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651674389 398267096 /nfs/dbraw/zinc/26/70/96/398267096.db2.gz NQVVDWKFBIIRGG-UHFFFAOYSA-N 2 1 287.407 3.038 20 0 CGADMP CCc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000651725766 398276112 /nfs/dbraw/zinc/27/61/12/398276112.db2.gz OASPDODUNMMUGP-AYHJJNSGSA-N 2 1 272.436 3.354 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000651808380 398290767 /nfs/dbraw/zinc/29/07/67/398290767.db2.gz PADUWRKDWCFWLZ-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CC1CCC(C)(C)CC1 ZINC000337947187 214324809 /nfs/dbraw/zinc/32/48/09/214324809.db2.gz AHHGZXQCILTOTB-UHFFFAOYSA-N 2 1 263.429 3.388 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000337949566 214326797 /nfs/dbraw/zinc/32/67/97/214326797.db2.gz MBSKDAATIWOEKV-UHFFFAOYSA-N 2 1 296.418 3.470 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000337951300 214329543 /nfs/dbraw/zinc/32/95/43/214329543.db2.gz RXSUSWOZEDUZDX-QWHCGFSZSA-N 2 1 289.345 3.292 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000338011572 214358403 /nfs/dbraw/zinc/35/84/03/214358403.db2.gz HDCFMPNGOCVWBI-ZDUSSCGKSA-N 2 1 275.371 3.380 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000423467776 529453808 /nfs/dbraw/zinc/45/38/08/529453808.db2.gz OBYKFPNDTXMZIF-HIFRSBDPSA-N 2 1 264.413 3.109 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423478487 529454003 /nfs/dbraw/zinc/45/40/03/529454003.db2.gz UQRWXVFYBCBKHE-SKDRFNHKSA-N 2 1 260.303 3.093 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119307 282187594 /nfs/dbraw/zinc/18/75/94/282187594.db2.gz BPFVSVHUDSEWON-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423459412 529569099 /nfs/dbraw/zinc/56/90/99/529569099.db2.gz HZABVGUIWSWKFV-KGLIPLIRSA-N 2 1 286.341 3.483 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1F ZINC000423542406 529598176 /nfs/dbraw/zinc/59/81/76/529598176.db2.gz AYBFYHOWJICSKQ-HNNXBMFYSA-N 2 1 250.361 3.009 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000342859364 282205513 /nfs/dbraw/zinc/20/55/13/282205513.db2.gz JFOFRAMXDOZUAM-CQSZACIVSA-N 2 1 269.392 3.028 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000342859364 282205514 /nfs/dbraw/zinc/20/55/14/282205514.db2.gz JFOFRAMXDOZUAM-CQSZACIVSA-N 2 1 269.392 3.028 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348532707 282206258 /nfs/dbraw/zinc/20/62/58/282206258.db2.gz IEUCCKCKGLPPOY-PMUMKWKESA-N 2 1 299.418 3.124 20 0 CGADMP CCc1cccc2cc(C[NH2+]CCc3c[nH+]cn3C)oc21 ZINC000623086021 349757387 /nfs/dbraw/zinc/75/73/87/349757387.db2.gz SUFKCXLPIISCGI-UHFFFAOYSA-N 2 1 283.375 3.061 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414184657 529623201 /nfs/dbraw/zinc/62/32/01/529623201.db2.gz OBSAXFJNEPXOMC-GJZGRUSLSA-N 2 1 275.440 3.027 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC2=CCCCC2)CC1(C)C ZINC000623335683 349780741 /nfs/dbraw/zinc/78/07/41/349780741.db2.gz ZLAWBTQQJYIKIX-OAHLLOKOSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)[C@@H]1CC1(C)C ZINC000414076374 529617749 /nfs/dbraw/zinc/61/77/49/529617749.db2.gz OQNYFNDESNIIHY-QEJZJMRPSA-N 2 1 263.429 3.242 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000273150844 192058412 /nfs/dbraw/zinc/05/84/12/192058412.db2.gz HPRMQXMPDMZJAY-UHFFFAOYSA-N 2 1 290.838 3.438 20 0 CGADMP CCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623354968 349787082 /nfs/dbraw/zinc/78/70/82/349787082.db2.gz QTWMWQJEFMMVOJ-QGZVFWFLSA-N 2 1 290.451 3.186 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)CC1(C)C ZINC000623355195 349787527 /nfs/dbraw/zinc/78/75/27/349787527.db2.gz CMGURZZAIFZGNL-MRXNPFEDSA-N 2 1 274.452 3.427 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1F ZINC000423409771 529659008 /nfs/dbraw/zinc/65/90/08/529659008.db2.gz ZGPYBRCSSJACBE-NZVBXONLSA-N 2 1 268.351 3.004 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cc1F ZINC000423369558 529659949 /nfs/dbraw/zinc/65/99/49/529659949.db2.gz FZMCIUIDQFVIGD-NVBFEUDRSA-N 2 1 268.351 3.146 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000423436586 529665969 /nfs/dbraw/zinc/66/59/69/529665969.db2.gz FKBBAGGTYTVKCT-BREBYQMCSA-N 2 1 285.229 3.226 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1F ZINC000423409972 529671732 /nfs/dbraw/zinc/67/17/32/529671732.db2.gz ZGPYBRCSSJACBE-ONERCXAPSA-N 2 1 268.351 3.004 20 0 CGADMP C[N@H+]1CC[C@@H](NC2(c3ccccc3)CC2)CC1(C)C ZINC000623411356 349801867 /nfs/dbraw/zinc/80/18/67/349801867.db2.gz BEQXAVHNEOSTIE-OAHLLOKOSA-N 2 1 258.409 3.138 20 0 CGADMP CN1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)CC1(C)C ZINC000623411356 349801871 /nfs/dbraw/zinc/80/18/71/349801871.db2.gz BEQXAVHNEOSTIE-OAHLLOKOSA-N 2 1 258.409 3.138 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)CC1(C)C ZINC000623411356 349801876 /nfs/dbraw/zinc/80/18/76/349801876.db2.gz BEQXAVHNEOSTIE-OAHLLOKOSA-N 2 1 258.409 3.138 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)CC1(C)C ZINC000623411356 349801881 /nfs/dbraw/zinc/80/18/81/349801881.db2.gz BEQXAVHNEOSTIE-OAHLLOKOSA-N 2 1 258.409 3.138 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000341366075 282246751 /nfs/dbraw/zinc/24/67/51/282246751.db2.gz IUNVGASDQQPHJP-UXUKBGGZSA-N 2 1 292.389 3.285 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)c[nH]c21 ZINC000623429874 349807135 /nfs/dbraw/zinc/80/71/35/349807135.db2.gz TXZGBPGZNVKDNE-MRXNPFEDSA-N 2 1 299.462 3.481 20 0 CGADMP CCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623467563 349814686 /nfs/dbraw/zinc/81/46/86/349814686.db2.gz ONDPSAYXNAUPOW-MRXNPFEDSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)CC1(C)C ZINC000623454185 349813185 /nfs/dbraw/zinc/81/31/85/349813185.db2.gz XISKGAOGXCKUAK-VXGBXAGGSA-N 2 1 260.372 3.027 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623452513 349813258 /nfs/dbraw/zinc/81/32/58/349813258.db2.gz GOKYXQNWOBNWMU-MRXNPFEDSA-N 2 1 274.452 3.308 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000623491169 349819219 /nfs/dbraw/zinc/81/92/19/349819219.db2.gz IARDHLHWHLYKEQ-CBBWQLFWSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC2(C)C)CC1(C)C ZINC000623533992 349828336 /nfs/dbraw/zinc/82/83/36/349828336.db2.gz RDCOPLQXLCYGHT-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]2CCC[C@@H]21 ZINC000368611386 529806799 /nfs/dbraw/zinc/80/67/99/529806799.db2.gz CSSJKXDCWWEYIM-AVGNSLFASA-N 2 1 284.856 3.364 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000623656526 349858707 /nfs/dbraw/zinc/85/87/07/349858707.db2.gz WDOWFUVUFAIYER-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000623656939 349858752 /nfs/dbraw/zinc/85/87/52/349858752.db2.gz GCJKPGNOZYTPKX-MQDFFIGUSA-N 2 1 276.399 3.160 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657741 349860155 /nfs/dbraw/zinc/86/01/55/349860155.db2.gz XUCWGMHBUARBKX-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000623657247 349857730 /nfs/dbraw/zinc/85/77/30/349857730.db2.gz MCHIHDFHLRWBEI-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC000414149764 529883860 /nfs/dbraw/zinc/88/38/60/529883860.db2.gz OJWQKMICWLDAEG-HZPDHXFCSA-N 2 1 296.499 3.433 20 0 CGADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000592475787 346992679 /nfs/dbraw/zinc/99/26/79/346992679.db2.gz IYFGMAGAVRNGBE-HOTGVXAUSA-N 2 1 284.513 3.372 20 0 CGADMP COc1ccccc1CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351549046 219123381 /nfs/dbraw/zinc/12/33/81/219123381.db2.gz XHRBTEHTZIIUCH-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccccc1CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351549046 219123383 /nfs/dbraw/zinc/12/33/83/219123383.db2.gz XHRBTEHTZIIUCH-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccccc1CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000351549046 219123385 /nfs/dbraw/zinc/12/33/85/219123385.db2.gz XHRBTEHTZIIUCH-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccccc1CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000351549046 219123387 /nfs/dbraw/zinc/12/33/87/219123387.db2.gz XHRBTEHTZIIUCH-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351590789 219138461 /nfs/dbraw/zinc/13/84/61/219138461.db2.gz YXJORWJGJHJZGS-ZDUSSCGKSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351590789 219138463 /nfs/dbraw/zinc/13/84/63/219138463.db2.gz YXJORWJGJHJZGS-ZDUSSCGKSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1ccc(Cl)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000351590789 219138464 /nfs/dbraw/zinc/13/84/64/219138464.db2.gz YXJORWJGJHJZGS-ZDUSSCGKSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1ccc(Cl)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351590789 219138467 /nfs/dbraw/zinc/13/84/67/219138467.db2.gz YXJORWJGJHJZGS-ZDUSSCGKSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423255531 529999070 /nfs/dbraw/zinc/99/90/70/529999070.db2.gz AHYMWHFBFOCCSN-KBPBESRZSA-N 2 1 272.392 3.453 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418086504 530060971 /nfs/dbraw/zinc/06/09/71/530060971.db2.gz CSHVUQMVACMHGQ-NJAFHUGGSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000040623161 344964266 /nfs/dbraw/zinc/96/42/66/344964266.db2.gz IYQOCJPPJLFYOW-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000127323527 187296278 /nfs/dbraw/zinc/29/62/78/187296278.db2.gz BUZFZBONEUZXQA-CYBMUJFWSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000127323527 187296279 /nfs/dbraw/zinc/29/62/79/187296279.db2.gz BUZFZBONEUZXQA-CYBMUJFWSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313050947 260241775 /nfs/dbraw/zinc/24/17/75/260241775.db2.gz SQHDWWTVKRZZDF-HNNXBMFYSA-N 2 1 261.413 3.284 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000044533285 345012636 /nfs/dbraw/zinc/01/26/36/345012636.db2.gz PRJVCIMLXVTTLW-MAUKXSAKSA-N 2 1 272.436 3.378 20 0 CGADMP C[C@@H](CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044532690 345012945 /nfs/dbraw/zinc/01/29/45/345012945.db2.gz ONNDNBQVQQYRCP-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000061626957 345231192 /nfs/dbraw/zinc/23/11/92/345231192.db2.gz OSUUBJKAAAFIHQ-GWCFXTLKSA-N 2 1 272.314 3.017 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccnc1 ZINC000091333258 345810663 /nfs/dbraw/zinc/81/06/63/345810663.db2.gz WWAKIAWKINDWBG-AEFFLSMTSA-N 2 1 289.467 3.489 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)sc1C ZINC000088595235 345762406 /nfs/dbraw/zinc/76/24/06/345762406.db2.gz SWCPEPADOQYFJC-UHFFFAOYSA-N 2 1 295.496 3.312 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1cccc(C)c1 ZINC000090218665 345785113 /nfs/dbraw/zinc/78/51/13/345785113.db2.gz UOFXNSNVIMWLGY-LZLYRXPVSA-N 2 1 290.451 3.082 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090726400 345793015 /nfs/dbraw/zinc/79/30/15/345793015.db2.gz ZXTQFSIVNYISHW-INMHGKMJSA-N 2 1 292.492 3.381 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090726400 345793017 /nfs/dbraw/zinc/79/30/17/345793017.db2.gz ZXTQFSIVNYISHW-INMHGKMJSA-N 2 1 292.492 3.381 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1nccs1 ZINC000110908135 345947209 /nfs/dbraw/zinc/94/72/09/345947209.db2.gz QLGUHBAYQXFHJU-UHFFFAOYSA-N 2 1 289.448 3.275 20 0 CGADMP Cc1sccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351658562 219165183 /nfs/dbraw/zinc/16/51/83/219165183.db2.gz IGHMWZNCLZMYFW-OAHLLOKOSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1sccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351658562 219165184 /nfs/dbraw/zinc/16/51/84/219165184.db2.gz IGHMWZNCLZMYFW-OAHLLOKOSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1sccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000351658562 219165187 /nfs/dbraw/zinc/16/51/87/219165187.db2.gz IGHMWZNCLZMYFW-OAHLLOKOSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1sccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000351658562 219165188 /nfs/dbraw/zinc/16/51/88/219165188.db2.gz IGHMWZNCLZMYFW-OAHLLOKOSA-N 2 1 266.454 3.363 20 0 CGADMP C[C@@H](c1ncc(C(C)(C)C)o1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175258705 232315488 /nfs/dbraw/zinc/31/54/88/232315488.db2.gz YPWLAUVVHGTCDO-UONOGXRCSA-N 2 1 293.455 3.307 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000121417172 346002372 /nfs/dbraw/zinc/00/23/72/346002372.db2.gz MBOKGPSXGHDDDK-STQMWFEESA-N 2 1 277.437 3.110 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000125082432 346015664 /nfs/dbraw/zinc/01/56/64/346015664.db2.gz SVICTPASSCRXNV-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000232646885 346327148 /nfs/dbraw/zinc/32/71/48/346327148.db2.gz VWGNAAGUTGSQDU-AWEZNQCLSA-N 2 1 280.843 3.468 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000232646885 346327151 /nfs/dbraw/zinc/32/71/51/346327151.db2.gz VWGNAAGUTGSQDU-AWEZNQCLSA-N 2 1 280.843 3.468 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000228206455 346313867 /nfs/dbraw/zinc/31/38/67/346313867.db2.gz NZGSMYPTVCHMNS-JYJNAYRXSA-N 2 1 260.425 3.342 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000311747036 346474470 /nfs/dbraw/zinc/47/44/70/346474470.db2.gz SQDMOJUDOQUVEG-HZPDHXFCSA-N 2 1 262.441 3.499 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000311747036 346474474 /nfs/dbraw/zinc/47/44/74/346474474.db2.gz SQDMOJUDOQUVEG-HZPDHXFCSA-N 2 1 262.441 3.499 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000312628059 346477562 /nfs/dbraw/zinc/47/75/62/346477562.db2.gz RPNRIBOXIUDIJB-AEFFLSMTSA-N 2 1 272.436 3.358 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000312998657 346478457 /nfs/dbraw/zinc/47/84/57/346478457.db2.gz WBVCSTJMWVQHPV-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP C/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658319 346555418 /nfs/dbraw/zinc/55/54/18/346555418.db2.gz WAAIRWRDMCHDDW-PIXXYMSQSA-N 2 1 258.409 3.205 20 0 CGADMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658319 346555421 /nfs/dbraw/zinc/55/54/21/346555421.db2.gz WAAIRWRDMCHDDW-PIXXYMSQSA-N 2 1 258.409 3.205 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000584869216 346719397 /nfs/dbraw/zinc/71/93/97/346719397.db2.gz WSYYBWVEVGTWNQ-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000584869216 346719402 /nfs/dbraw/zinc/71/94/02/346719402.db2.gz WSYYBWVEVGTWNQ-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc(C)cc1[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119653 349975888 /nfs/dbraw/zinc/97/58/88/349975888.db2.gz GQXJHSCJYZXSHR-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624119653 349975891 /nfs/dbraw/zinc/97/58/91/349975891.db2.gz GQXJHSCJYZXSHR-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119653 349975893 /nfs/dbraw/zinc/97/58/93/349975893.db2.gz GQXJHSCJYZXSHR-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1F ZINC000624120370 349976791 /nfs/dbraw/zinc/97/67/91/349976791.db2.gz XLPKKJUBNZFCKA-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP Cc1sccc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000339345796 215109448 /nfs/dbraw/zinc/10/94/48/215109448.db2.gz KPUKRGBYMXCGLL-CYBMUJFWSA-N 2 1 266.454 3.411 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000624122984 349981378 /nfs/dbraw/zinc/98/13/78/349981378.db2.gz CHXXXSFOYBPITN-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624121810 349980650 /nfs/dbraw/zinc/98/06/50/349980650.db2.gz DIXHVDUZOUESIS-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624121810 349980652 /nfs/dbraw/zinc/98/06/52/349980652.db2.gz DIXHVDUZOUESIS-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cn1 ZINC000624122293 349981948 /nfs/dbraw/zinc/98/19/48/349981948.db2.gz NWIQGNRCNXGYBR-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000624122293 349981952 /nfs/dbraw/zinc/98/19/52/349981952.db2.gz NWIQGNRCNXGYBR-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000339405387 215149075 /nfs/dbraw/zinc/14/90/75/215149075.db2.gz BRGDFANOQUDTRO-SFHVURJKSA-N 2 1 290.451 3.281 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000624123279 349983312 /nfs/dbraw/zinc/98/33/12/349983312.db2.gz IYCDDWUBIIDWBE-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123666 349983217 /nfs/dbraw/zinc/98/32/17/349983217.db2.gz QFKLJGSKLQOHKM-AEFFLSMTSA-N 2 1 289.467 3.114 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123597 349982833 /nfs/dbraw/zinc/98/28/33/349982833.db2.gz OTLKRZCRALSNGX-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339432665 215163200 /nfs/dbraw/zinc/16/32/00/215163200.db2.gz JWKBDZQPLCULDU-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339432665 215163203 /nfs/dbraw/zinc/16/32/03/215163203.db2.gz JWKBDZQPLCULDU-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339432665 215163205 /nfs/dbraw/zinc/16/32/05/215163205.db2.gz JWKBDZQPLCULDU-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339432665 215163207 /nfs/dbraw/zinc/16/32/07/215163207.db2.gz JWKBDZQPLCULDU-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517156 233148296 /nfs/dbraw/zinc/14/82/96/233148296.db2.gz PFUGYLRYUZAJCI-KRWDZBQOSA-N 2 1 270.420 3.140 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)CC[N@H+]1C ZINC000624272271 350015615 /nfs/dbraw/zinc/01/56/15/350015615.db2.gz AQICNYWIHPKGDV-NWDGAFQWSA-N 2 1 278.362 3.181 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC23CC3)[C@@H]2CCC[C@@H]21 ZINC000624315972 350025625 /nfs/dbraw/zinc/02/56/25/350025625.db2.gz HTIOPAUMHMDWEV-VGWMRTNUSA-N 2 1 262.441 3.029 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](OCC)C2CC2)CC1 ZINC000625090451 350127016 /nfs/dbraw/zinc/12/70/16/350127016.db2.gz VRICZHBIBSEPAV-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3C[C@@H]3C)C2)s1 ZINC000625402623 350167897 /nfs/dbraw/zinc/16/78/97/350167897.db2.gz QYKNBTLWHCZRDS-NUEKZKHPSA-N 2 1 292.492 3.466 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3C[C@@H]3C)C2)s1 ZINC000625402623 350167901 /nfs/dbraw/zinc/16/79/01/350167901.db2.gz QYKNBTLWHCZRDS-NUEKZKHPSA-N 2 1 292.492 3.466 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3C[C@@H]3C)C2)s1 ZINC000625402623 350167904 /nfs/dbraw/zinc/16/79/04/350167904.db2.gz QYKNBTLWHCZRDS-NUEKZKHPSA-N 2 1 292.492 3.466 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000271331042 191077396 /nfs/dbraw/zinc/07/73/96/191077396.db2.gz ARTAFAPJXSKVIU-GDBMZVCRSA-N 2 1 275.440 3.163 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352174609 219346363 /nfs/dbraw/zinc/34/63/63/219346363.db2.gz CCXHXXWPOZNMBP-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@]2(C)CCCS2)CC1 ZINC000628128527 350403544 /nfs/dbraw/zinc/40/35/44/350403544.db2.gz JGDXRTVNDRDGDK-HNNXBMFYSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000628236523 350457843 /nfs/dbraw/zinc/45/78/43/350457843.db2.gz FYBBCNLQLCSEOA-UHFFFAOYSA-N 2 1 292.471 3.052 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628210061 350441331 /nfs/dbraw/zinc/44/13/31/350441331.db2.gz FOODHFTZYXQUBJ-SJORKVTESA-N 2 1 274.452 3.420 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629538731 350706599 /nfs/dbraw/zinc/70/65/99/350706599.db2.gz KXSOJDLDRAKULB-UMVBOHGHSA-N 2 1 272.392 3.094 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540341 350706718 /nfs/dbraw/zinc/70/67/18/350706718.db2.gz OVHVDPIEYMKSFD-XUJVJEKNSA-N 2 1 282.378 3.016 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561512 350713970 /nfs/dbraw/zinc/71/39/70/350713970.db2.gz IGEDKNXLEPNFAK-VXGBXAGGSA-N 2 1 280.378 3.272 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000629507719 350699036 /nfs/dbraw/zinc/69/90/36/350699036.db2.gz IBJQDRVAWJGLMW-HNNXBMFYSA-N 2 1 289.467 3.199 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000629507719 350699040 /nfs/dbraw/zinc/69/90/40/350699040.db2.gz IBJQDRVAWJGLMW-HNNXBMFYSA-N 2 1 289.467 3.199 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC000629662091 350732960 /nfs/dbraw/zinc/73/29/60/350732960.db2.gz CBPWKWDYDUWDQV-RRQGHBQHSA-N 2 1 292.854 3.375 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC000629662091 350732964 /nfs/dbraw/zinc/73/29/64/350732964.db2.gz CBPWKWDYDUWDQV-RRQGHBQHSA-N 2 1 292.854 3.375 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000629672232 350734045 /nfs/dbraw/zinc/73/40/45/350734045.db2.gz OVPXBZGMYJCKPL-UHIISALHSA-N 2 1 286.341 3.149 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000629673754 350734352 /nfs/dbraw/zinc/73/43/52/350734352.db2.gz HCNSSIZUWQARIW-MKWACEFDSA-N 2 1 250.430 3.053 20 0 CGADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000630060175 350804446 /nfs/dbraw/zinc/80/44/46/350804446.db2.gz IXOSFYRJGVXGMZ-GJZGRUSLSA-N 2 1 250.430 3.195 20 0 CGADMP c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000631648823 351105444 /nfs/dbraw/zinc/10/54/44/351105444.db2.gz RTLQWHGDAVUSMG-VQIMIIECSA-N 2 1 299.462 3.171 20 0 CGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000631606475 351088184 /nfs/dbraw/zinc/08/81/84/351088184.db2.gz JPRSMEITDQJJDH-OAHLLOKOSA-N 2 1 297.446 3.341 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891055 351152534 /nfs/dbraw/zinc/15/25/34/351152534.db2.gz VRFXBZAAHQBVNR-LMMKCTJWSA-N 2 1 284.447 3.180 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000634680238 351565558 /nfs/dbraw/zinc/56/55/58/351565558.db2.gz ONJMCRXAYXXBRO-KRWDZBQOSA-N 2 1 290.451 3.186 20 0 CGADMP c1cnc2cccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000634688092 351573533 /nfs/dbraw/zinc/57/35/33/351573533.db2.gz IDGADFWADIWSSK-OALUTQOASA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000634688092 351573536 /nfs/dbraw/zinc/57/35/36/351573536.db2.gz IDGADFWADIWSSK-OALUTQOASA-N 2 1 295.430 3.341 20 0 CGADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000635005537 351623550 /nfs/dbraw/zinc/62/35/50/351623550.db2.gz JDTCKWYDWHUWLC-SGMGOOAPSA-N 2 1 281.469 3.413 20 0 CGADMP CCc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000352256544 219382740 /nfs/dbraw/zinc/38/27/40/219382740.db2.gz JIVQQELJIHJGEX-UHFFFAOYSA-N 2 1 297.446 3.256 20 0 CGADMP CCc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000352256544 219382744 /nfs/dbraw/zinc/38/27/44/219382744.db2.gz JIVQQELJIHJGEX-UHFFFAOYSA-N 2 1 297.446 3.256 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccs1 ZINC000121434930 186972589 /nfs/dbraw/zinc/97/25/89/186972589.db2.gz RUHLOKOIKONLCM-NWDGAFQWSA-N 2 1 263.410 3.240 20 0 CGADMP CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122358387 187028550 /nfs/dbraw/zinc/02/85/50/187028550.db2.gz NVPSLNIIHJZUKM-KBPBESRZSA-N 2 1 287.407 3.256 20 0 CGADMP c1cc2c(o1)CCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000123909848 187114697 /nfs/dbraw/zinc/11/46/97/187114697.db2.gz PMEMTQZBXYIEKN-OAHLLOKOSA-N 2 1 262.397 3.123 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000271492468 191170600 /nfs/dbraw/zinc/17/06/00/191170600.db2.gz PCRKTASPYFIKEP-AWYCJPSDSA-N 2 1 272.436 3.251 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCCc3ccccc3Cl)C2)C1 ZINC000292108429 198166509 /nfs/dbraw/zinc/16/65/09/198166509.db2.gz ISFHUCSXZCPEBQ-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCc3ccccc3Cl)C2)C1 ZINC000292108429 198166511 /nfs/dbraw/zinc/16/65/11/198166511.db2.gz ISFHUCSXZCPEBQ-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCc3ccccc3Cl)C2)C1 ZINC000292108429 198166512 /nfs/dbraw/zinc/16/65/12/198166512.db2.gz ISFHUCSXZCPEBQ-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCc3ccccc3Cl)C2)C1 ZINC000292108429 198166514 /nfs/dbraw/zinc/16/65/14/198166514.db2.gz ISFHUCSXZCPEBQ-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP c1coc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000367958984 234263524 /nfs/dbraw/zinc/26/35/24/234263524.db2.gz FLLAWXUIRNBZKH-MSOLQXFVSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000367958984 234263528 /nfs/dbraw/zinc/26/35/28/234263528.db2.gz FLLAWXUIRNBZKH-MSOLQXFVSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000367958984 234263530 /nfs/dbraw/zinc/26/35/30/234263530.db2.gz FLLAWXUIRNBZKH-MSOLQXFVSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000367958984 234263534 /nfs/dbraw/zinc/26/35/34/234263534.db2.gz FLLAWXUIRNBZKH-MSOLQXFVSA-N 2 1 296.414 3.234 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000152788444 188043915 /nfs/dbraw/zinc/04/39/15/188043915.db2.gz SBUUFBOTMUAPGY-HEHGZKQESA-N 2 1 294.414 3.043 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000152788444 188043917 /nfs/dbraw/zinc/04/39/17/188043917.db2.gz SBUUFBOTMUAPGY-HEHGZKQESA-N 2 1 294.414 3.043 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000369111033 234355720 /nfs/dbraw/zinc/35/57/20/234355720.db2.gz FFWBUDYPLZHJPB-FUHWJXTLSA-N 2 1 298.434 3.293 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccncc1 ZINC000156463166 188263287 /nfs/dbraw/zinc/26/32/87/188263287.db2.gz DNLHFEOSYIWDJS-JYJNAYRXSA-N 2 1 275.440 3.100 20 0 CGADMP c1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157145489 188300165 /nfs/dbraw/zinc/30/01/65/188300165.db2.gz HLPDFEHUHORJJY-KRWDZBQOSA-N 2 1 288.435 3.016 20 0 CGADMP c1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157145489 188300166 /nfs/dbraw/zinc/30/01/66/188300166.db2.gz HLPDFEHUHORJJY-KRWDZBQOSA-N 2 1 288.435 3.016 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158520385 188380070 /nfs/dbraw/zinc/38/00/70/188380070.db2.gz ZHPJZLICRVYNGI-WBVHZDCISA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158520385 188380071 /nfs/dbraw/zinc/38/00/71/188380071.db2.gz ZHPJZLICRVYNGI-WBVHZDCISA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158520385 188380072 /nfs/dbraw/zinc/38/00/72/188380072.db2.gz ZHPJZLICRVYNGI-WBVHZDCISA-N 2 1 290.476 3.325 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271837606 191359656 /nfs/dbraw/zinc/35/96/56/191359656.db2.gz QAGMVBPNWSQWLA-UHFFFAOYSA-N 2 1 296.414 3.200 20 0 CGADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271891555 191394314 /nfs/dbraw/zinc/39/43/14/191394314.db2.gz SARVJMYPBSTUSC-YOEHRIQHSA-N 2 1 270.420 3.395 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271897479 191397025 /nfs/dbraw/zinc/39/70/25/191397025.db2.gz UOGRDYIJCHTQGG-AWEZNQCLSA-N 2 1 258.409 3.162 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000272995335 192013266 /nfs/dbraw/zinc/01/32/66/192013266.db2.gz YBIDTKJNAXXVIB-UHFFFAOYSA-N 2 1 283.419 3.426 20 0 CGADMP CC1CCC(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000089577888 138343129 /nfs/dbraw/zinc/34/31/29/138343129.db2.gz FMIURBVPQAJCDM-OZEOOWDWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091284529 138343617 /nfs/dbraw/zinc/34/36/17/138343617.db2.gz YHJPERCRXFOVJS-ZFWWWQNUSA-N 2 1 292.854 3.345 20 0 CGADMP CSc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000123693815 138369445 /nfs/dbraw/zinc/36/94/45/138369445.db2.gz JSKLVJSYHKOHQQ-OAHLLOKOSA-N 2 1 266.454 3.214 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124816921 138377826 /nfs/dbraw/zinc/37/78/26/138377826.db2.gz SNGRBTILUPDXEN-JSGCOSHPSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124816921 138377828 /nfs/dbraw/zinc/37/78/28/138377828.db2.gz SNGRBTILUPDXEN-JSGCOSHPSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124816921 138377830 /nfs/dbraw/zinc/37/78/30/138377830.db2.gz SNGRBTILUPDXEN-JSGCOSHPSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124816921 138377831 /nfs/dbraw/zinc/37/78/31/138377831.db2.gz SNGRBTILUPDXEN-JSGCOSHPSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124816921 138377833 /nfs/dbraw/zinc/37/78/33/138377833.db2.gz SNGRBTILUPDXEN-JSGCOSHPSA-N 2 1 282.378 3.442 20 0 CGADMP Cc1ccc2ncc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC000336279172 213116127 /nfs/dbraw/zinc/11/61/27/213116127.db2.gz UTDBRLZCGPULCZ-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2ncc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC000336279172 213116130 /nfs/dbraw/zinc/11/61/30/213116130.db2.gz UTDBRLZCGPULCZ-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000336279172 213116134 /nfs/dbraw/zinc/11/61/34/213116134.db2.gz UTDBRLZCGPULCZ-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000336279172 213116137 /nfs/dbraw/zinc/11/61/37/213116137.db2.gz UTDBRLZCGPULCZ-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000423149946 235982351 /nfs/dbraw/zinc/98/23/51/235982351.db2.gz YHIOLTOVWRIYTH-QCQGSNGOSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2ccccc2s1 ZINC000423275917 236018602 /nfs/dbraw/zinc/01/86/02/236018602.db2.gz MHYSWTQWAOAMIH-ZWNOBZJWSA-N 2 1 260.406 3.289 20 0 CGADMP CCOc1ccc([C@H](CC)[NH2+]CC(C)(C)[NH3+])cc1OCC ZINC000423282219 236022435 /nfs/dbraw/zinc/02/24/35/236022435.db2.gz CLFYTMNDXUVUQO-AWEZNQCLSA-N 2 1 294.439 3.262 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000262037127 283280170 /nfs/dbraw/zinc/28/01/70/283280170.db2.gz XWCQCYQGLJYSOG-NVXWUHKLSA-N 2 1 287.451 3.171 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423332679 236042232 /nfs/dbraw/zinc/04/22/32/236042232.db2.gz QZQJXOQIZBARGI-UXIGCNINSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423340797 236044245 /nfs/dbraw/zinc/04/42/45/236044245.db2.gz XJPMGUBNQKAEGE-HUUCEWRRSA-N 2 1 284.403 3.263 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000423385048 236058917 /nfs/dbraw/zinc/05/89/17/236058917.db2.gz LKCVDVNZYIKVKC-SOLBZPMBSA-N 2 1 299.393 3.170 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)[C@H](C)[NH3+] ZINC000423434612 236069936 /nfs/dbraw/zinc/06/99/36/236069936.db2.gz DBTNTEXKJQSXCW-SXMVTHIZSA-N 2 1 273.207 3.306 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C2CC2)c1 ZINC000294362285 199012688 /nfs/dbraw/zinc/01/26/88/199012688.db2.gz QKXUUBPYKDSCCK-ZDUSSCGKSA-N 2 1 269.392 3.191 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CCCC1 ZINC000423503879 236088347 /nfs/dbraw/zinc/08/83/47/236088347.db2.gz NDJWBQYOBYFNGA-BZSNNMDCSA-N 2 1 272.436 3.430 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423547319 236097561 /nfs/dbraw/zinc/09/75/61/236097561.db2.gz FZCITAZLBKRXRQ-HIFRSBDPSA-N 2 1 272.392 3.096 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC000424282715 236142485 /nfs/dbraw/zinc/14/24/85/236142485.db2.gz AEPWBOSFPCAWNI-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(C)c1F ZINC000294823232 199200115 /nfs/dbraw/zinc/20/01/15/199200115.db2.gz RNZMKKLBUDHTQM-GFCCVEGCSA-N 2 1 275.371 3.065 20 0 CGADMP Cn1cncc1CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000297903971 200301746 /nfs/dbraw/zinc/30/17/46/200301746.db2.gz RTIRRKUZHCZEOY-INIZCTEOSA-N 2 1 289.810 3.453 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423514876 296007709 /nfs/dbraw/zinc/00/77/09/296007709.db2.gz XAHWZKZOYFSOCQ-SUMWQHHRSA-N 2 1 286.419 3.471 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178186171 189096060 /nfs/dbraw/zinc/09/60/60/189096060.db2.gz MYHLLJDYUJPWOU-LSDHHAIUSA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178186171 189096061 /nfs/dbraw/zinc/09/60/61/189096061.db2.gz MYHLLJDYUJPWOU-LSDHHAIUSA-N 2 1 283.419 3.227 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CC2 ZINC000178698791 189138540 /nfs/dbraw/zinc/13/85/40/189138540.db2.gz INXMQXVGFMWDHK-UGSOOPFHSA-N 2 1 299.418 3.113 20 0 CGADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Cl ZINC000179334908 189186629 /nfs/dbraw/zinc/18/66/29/189186629.db2.gz LKDSUHXOOSSSQV-CQSZACIVSA-N 2 1 296.842 3.122 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Cl ZINC000179334908 189186630 /nfs/dbraw/zinc/18/66/30/189186630.db2.gz LKDSUHXOOSSSQV-CQSZACIVSA-N 2 1 296.842 3.122 20 0 CGADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000179334908 189186631 /nfs/dbraw/zinc/18/66/31/189186631.db2.gz LKDSUHXOOSSSQV-CQSZACIVSA-N 2 1 296.842 3.122 20 0 CGADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000179334908 189186632 /nfs/dbraw/zinc/18/66/32/189186632.db2.gz LKDSUHXOOSSSQV-CQSZACIVSA-N 2 1 296.842 3.122 20 0 CGADMP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181169613 189290411 /nfs/dbraw/zinc/29/04/11/189290411.db2.gz DEWRMQJCXDOVDR-JFIYKMOQSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181169613 189290412 /nfs/dbraw/zinc/29/04/12/189290412.db2.gz DEWRMQJCXDOVDR-JFIYKMOQSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000181186183 189290503 /nfs/dbraw/zinc/29/05/03/189290503.db2.gz UKOUMAFWQHWVRO-ZDUSSCGKSA-N 2 1 298.390 3.416 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000181186183 189290504 /nfs/dbraw/zinc/29/05/04/189290504.db2.gz UKOUMAFWQHWVRO-ZDUSSCGKSA-N 2 1 298.390 3.416 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181481810 189298122 /nfs/dbraw/zinc/29/81/22/189298122.db2.gz QKEMARAUXYOCPM-NVXWUHKLSA-N 2 1 290.451 3.090 20 0 CGADMP Cc1cc(NCC[N@H+](C)C(C)C)c2cc(F)ccc2[nH+]1 ZINC000301661435 201120094 /nfs/dbraw/zinc/12/00/94/201120094.db2.gz JRNGBPJBXYGYBG-UHFFFAOYSA-N 2 1 275.371 3.434 20 0 CGADMP CCCC[NH+]1CCC(Nc2cc(CC)[nH+]c(C)n2)CC1 ZINC000302072208 201330922 /nfs/dbraw/zinc/33/09/22/201330922.db2.gz ZBUZQYOUZQJBJT-UHFFFAOYSA-N 2 1 276.428 3.024 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(C)(C)C ZINC000449076511 239161716 /nfs/dbraw/zinc/16/17/16/239161716.db2.gz TWPPUUCUYPHVJT-OLZOCXBDSA-N 2 1 251.418 3.242 20 0 CGADMP Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000449133176 239195633 /nfs/dbraw/zinc/19/56/33/239195633.db2.gz XOSIKGJJBKGPNF-HNNXBMFYSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000449133176 239195639 /nfs/dbraw/zinc/19/56/39/239195639.db2.gz XOSIKGJJBKGPNF-HNNXBMFYSA-N 2 1 278.415 3.344 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646966 376190517 /nfs/dbraw/zinc/19/05/17/376190517.db2.gz DYLAHCJPSCYHKF-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646966 376190520 /nfs/dbraw/zinc/19/05/20/376190520.db2.gz DYLAHCJPSCYHKF-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646966 376190523 /nfs/dbraw/zinc/19/05/23/376190523.db2.gz DYLAHCJPSCYHKF-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450727192 240054462 /nfs/dbraw/zinc/05/44/62/240054462.db2.gz LZUGZSNPSUQEGU-JSGCOSHPSA-N 2 1 286.410 3.274 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000451140999 240228652 /nfs/dbraw/zinc/22/86/52/240228652.db2.gz HASRJIOCFMTVND-KHSSZTOVSA-N 2 1 299.418 3.397 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCc2ccccc2CC1 ZINC000451716310 240347640 /nfs/dbraw/zinc/34/76/40/240347640.db2.gz YWVHDHYOVMDGSF-UHFFFAOYSA-N 2 1 283.419 3.073 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCc2ccccc2CC1 ZINC000451716310 240347643 /nfs/dbraw/zinc/34/76/43/240347643.db2.gz YWVHDHYOVMDGSF-UHFFFAOYSA-N 2 1 283.419 3.073 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451971705 240387462 /nfs/dbraw/zinc/38/74/62/240387462.db2.gz NLTHRDDHXGLUGB-INIZCTEOSA-N 2 1 291.345 3.307 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451971705 240387466 /nfs/dbraw/zinc/38/74/66/240387466.db2.gz NLTHRDDHXGLUGB-INIZCTEOSA-N 2 1 291.345 3.307 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2CCn2ccnc2)cc1 ZINC000120915937 370813006 /nfs/dbraw/zinc/81/30/06/370813006.db2.gz KMKGQCCTUVVYEN-KRWDZBQOSA-N 2 1 285.391 3.119 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000275547918 193072294 /nfs/dbraw/zinc/07/22/94/193072294.db2.gz BKLNCHJBLQSFDB-UHFFFAOYSA-N 2 1 294.402 3.228 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000275502117 193060198 /nfs/dbraw/zinc/06/01/98/193060198.db2.gz VDNZVCQMEGXAII-UHFFFAOYSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000275502117 193060200 /nfs/dbraw/zinc/06/02/00/193060200.db2.gz VDNZVCQMEGXAII-UHFFFAOYSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275625065 193089093 /nfs/dbraw/zinc/08/90/93/193089093.db2.gz RWFMKPBMDAWYMW-GJZGRUSLSA-N 2 1 269.392 3.105 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000275595388 193081991 /nfs/dbraw/zinc/08/19/91/193081991.db2.gz PYRMUNJXNKCFHM-RYUDHWBXSA-N 2 1 291.345 3.075 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402726 240916860 /nfs/dbraw/zinc/91/68/60/240916860.db2.gz ALRXCKKYWURUGG-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553253 242129010 /nfs/dbraw/zinc/12/90/10/242129010.db2.gz XLXJOSNHGUFSDC-MOPGFXCFSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553253 242129014 /nfs/dbraw/zinc/12/90/14/242129014.db2.gz XLXJOSNHGUFSDC-MOPGFXCFSA-N 2 1 284.447 3.480 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360433 242089343 /nfs/dbraw/zinc/08/93/43/242089343.db2.gz FUAAJCGOLWXDKH-WDSOQIARSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459725229 242193437 /nfs/dbraw/zinc/19/34/37/242193437.db2.gz BENMUPICCSMZRQ-HUUCEWRRSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459810946 242242734 /nfs/dbraw/zinc/24/27/34/242242734.db2.gz USEPJEIMGJEFTO-GJZGRUSLSA-N 2 1 293.455 3.153 20 0 CGADMP CC[N@H+]1CCCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000462494450 242348404 /nfs/dbraw/zinc/34/84/04/242348404.db2.gz MDZQPEBYKFBXBC-UHFFFAOYSA-N 2 1 283.419 3.384 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000485265969 243330147 /nfs/dbraw/zinc/33/01/47/243330147.db2.gz CGPMBCQHOOSDFZ-CZUORRHYSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000485265969 243330152 /nfs/dbraw/zinc/33/01/52/243330152.db2.gz CGPMBCQHOOSDFZ-CZUORRHYSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccc(Cl)cc2)CC[NH+]1C ZINC000485265969 243330155 /nfs/dbraw/zinc/33/01/55/243330155.db2.gz CGPMBCQHOOSDFZ-CZUORRHYSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(Cl)cc2)CC[NH+]1C ZINC000485265969 243330159 /nfs/dbraw/zinc/33/01/59/243330159.db2.gz CGPMBCQHOOSDFZ-CZUORRHYSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000485265970 243330551 /nfs/dbraw/zinc/33/05/51/243330551.db2.gz CGPMBCQHOOSDFZ-XJKSGUPXSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000485265970 243330557 /nfs/dbraw/zinc/33/05/57/243330557.db2.gz CGPMBCQHOOSDFZ-XJKSGUPXSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCc2ccc(Cl)cc2)CC[NH+]1C ZINC000485265970 243330559 /nfs/dbraw/zinc/33/05/59/243330559.db2.gz CGPMBCQHOOSDFZ-XJKSGUPXSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccc(Cl)cc2)CC[NH+]1C ZINC000485265970 243330562 /nfs/dbraw/zinc/33/05/62/243330562.db2.gz CGPMBCQHOOSDFZ-XJKSGUPXSA-N 2 1 280.843 3.297 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000011888764 368598222 /nfs/dbraw/zinc/59/82/22/368598222.db2.gz GUAXUJYIIAZZTP-MRXNPFEDSA-N 2 1 274.452 3.416 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CCCCCC1)[NH+]1CCCC1 ZINC000021008233 368808997 /nfs/dbraw/zinc/80/89/97/368808997.db2.gz WZJZZLTVLHQFIN-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000019942956 368787549 /nfs/dbraw/zinc/78/75/49/368787549.db2.gz BNQDXDVRPQOLLO-ZDUSSCGKSA-N 2 1 252.377 3.208 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000019943361 368787654 /nfs/dbraw/zinc/78/76/54/368787654.db2.gz JZCLCDVZVPZCBD-ZDUSSCGKSA-N 2 1 282.403 3.217 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000034958895 368983040 /nfs/dbraw/zinc/98/30/40/368983040.db2.gz HCABSXMRIATBLL-RJPYNODJSA-N 2 1 262.372 3.102 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000036996881 369049189 /nfs/dbraw/zinc/04/91/89/369049189.db2.gz HJDCDKXKPCABKR-VBNZEHGJSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000036996881 369049193 /nfs/dbraw/zinc/04/91/93/369049193.db2.gz HJDCDKXKPCABKR-VBNZEHGJSA-N 2 1 262.372 3.103 20 0 CGADMP Fc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000037648899 369095798 /nfs/dbraw/zinc/09/57/98/369095798.db2.gz ZSYHRYMFCMBRSG-KTAKPFMOSA-N 2 1 288.410 3.146 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649308 369096871 /nfs/dbraw/zinc/09/68/71/369096871.db2.gz QPAFCKKRARPABK-LSDHHAIUSA-N 2 1 288.435 3.139 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037649527 369098162 /nfs/dbraw/zinc/09/81/62/369098162.db2.gz YOULCIPDELZFLV-STQMWFEESA-N 2 1 264.438 3.191 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000037934925 369126522 /nfs/dbraw/zinc/12/65/22/369126522.db2.gz YHRVNODZLDJQBE-HLLBOEOZSA-N 2 1 274.452 3.283 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000423359225 299397564 /nfs/dbraw/zinc/39/75/64/299397564.db2.gz CYYSWAFRUPYVPG-IDGVSHLYSA-N 2 1 294.389 3.044 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3nc(C)sc3c2)C1 ZINC000494367062 244283567 /nfs/dbraw/zinc/28/35/67/244283567.db2.gz INESPPGPKLBKKR-CQSZACIVSA-N 2 1 289.448 3.036 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000494898255 244328286 /nfs/dbraw/zinc/32/82/86/244328286.db2.gz PXOMVQGVTTZKGK-IIDMSEBBSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000494898255 244328290 /nfs/dbraw/zinc/32/82/90/244328290.db2.gz PXOMVQGVTTZKGK-IIDMSEBBSA-N 2 1 272.436 3.069 20 0 CGADMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048330345 369341029 /nfs/dbraw/zinc/34/10/29/369341029.db2.gz PJYUFKVYIJIOKO-IYBDPMFKSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000051919395 369456817 /nfs/dbraw/zinc/45/68/17/369456817.db2.gz GTIJAJXMOCTMIS-MRXNPFEDSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000127725376 370956134 /nfs/dbraw/zinc/95/61/34/370956134.db2.gz WKQHSYRVVUZZFO-QCODTGAPSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000059180864 369579636 /nfs/dbraw/zinc/57/96/36/369579636.db2.gz JKVHQSOFBGJSST-UHFFFAOYSA-N 2 1 295.496 3.406 20 0 CGADMP CC(C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000063200217 369643654 /nfs/dbraw/zinc/64/36/54/369643654.db2.gz UOPXXDBJRMFYQU-HNNXBMFYSA-N 2 1 293.480 3.231 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000081584617 369998096 /nfs/dbraw/zinc/99/80/96/369998096.db2.gz CBWJGVCQKJDKEK-JKSUJKDBSA-N 2 1 260.425 3.411 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000081584617 369998103 /nfs/dbraw/zinc/99/81/03/369998103.db2.gz CBWJGVCQKJDKEK-JKSUJKDBSA-N 2 1 260.425 3.411 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000081584617 369998108 /nfs/dbraw/zinc/99/81/08/369998108.db2.gz CBWJGVCQKJDKEK-JKSUJKDBSA-N 2 1 260.425 3.411 20 0 CGADMP C[C@@H]1CC([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000084468218 370013541 /nfs/dbraw/zinc/01/35/41/370013541.db2.gz LNGWJJLNIBBCPD-STQMWFEESA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc2c(s1)CCC2 ZINC000423501066 296153372 /nfs/dbraw/zinc/15/33/72/296153372.db2.gz KXBSWUIINGXMSP-RISCZKNCSA-N 2 1 278.465 3.405 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720882 370065321 /nfs/dbraw/zinc/06/53/21/370065321.db2.gz MNEUZLHAVBWEIR-GDBMZVCRSA-N 2 1 276.424 3.048 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000513684045 245089845 /nfs/dbraw/zinc/08/98/45/245089845.db2.gz OHGFMUZFYNUOOC-YESZJQIVSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CCSc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841649 370628928 /nfs/dbraw/zinc/62/89/28/370628928.db2.gz ZKNXQMJAXOZFII-OAHLLOKOSA-N 2 1 278.465 3.052 20 0 CGADMP C[NH+](CCSc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841649 370628935 /nfs/dbraw/zinc/62/89/35/370628935.db2.gz ZKNXQMJAXOZFII-OAHLLOKOSA-N 2 1 278.465 3.052 20 0 CGADMP C[NH+](CCSc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841649 370628938 /nfs/dbraw/zinc/62/89/38/370628938.db2.gz ZKNXQMJAXOZFII-OAHLLOKOSA-N 2 1 278.465 3.052 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)[C@H](C)C1 ZINC000118944327 370629856 /nfs/dbraw/zinc/62/98/56/370629856.db2.gz ATCZOFCBAGQQNO-AGERRDQYSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219590046 376201880 /nfs/dbraw/zinc/20/18/80/376201880.db2.gz MTLVVRUHQJJZOQ-NSHDSACASA-N 2 1 290.329 3.015 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000129829420 371002727 /nfs/dbraw/zinc/00/27/27/371002727.db2.gz JTWLKOHHJOLUCX-BHYGNILZSA-N 2 1 260.425 3.456 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000129829420 371002732 /nfs/dbraw/zinc/00/27/32/371002732.db2.gz JTWLKOHHJOLUCX-BHYGNILZSA-N 2 1 260.425 3.456 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OC(F)F ZINC000129893900 371005419 /nfs/dbraw/zinc/00/54/19/371005419.db2.gz KELOHCAJXPWNAZ-RWMBFGLXSA-N 2 1 298.377 3.421 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1OC(F)F ZINC000129893900 371005424 /nfs/dbraw/zinc/00/54/24/371005424.db2.gz KELOHCAJXPWNAZ-RWMBFGLXSA-N 2 1 298.377 3.421 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1c[nH+]ccc1N ZINC000517918499 296163585 /nfs/dbraw/zinc/16/35/85/296163585.db2.gz UFHQCPJEGZFRJE-DIFFPNOSSA-N 2 1 285.366 3.361 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000131864786 371134221 /nfs/dbraw/zinc/13/42/21/371134221.db2.gz UJTWDDWHBVBEFG-OAUYIBNBSA-N 2 1 252.361 3.482 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132104548 371151690 /nfs/dbraw/zinc/15/16/90/371151690.db2.gz ZHEDKORMSUMEJN-YOEHRIQHSA-N 2 1 290.426 3.177 20 0 CGADMP Cc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132017297 371146049 /nfs/dbraw/zinc/14/60/49/371146049.db2.gz PFLAMILJNIMGLT-SJORKVTESA-N 2 1 252.361 3.229 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)ccc2c1 ZINC000132215809 371159381 /nfs/dbraw/zinc/15/93/81/371159381.db2.gz LCGHGIMHCCOKCO-SUMWQHHRSA-N 2 1 284.403 3.018 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CCOCC1)CC(C)C ZINC000132944505 371214182 /nfs/dbraw/zinc/21/41/82/371214182.db2.gz XEMPMLLMKBJBIV-DOTOQJQBSA-N 2 1 284.488 3.148 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@H](C)C1 ZINC000133025882 371220335 /nfs/dbraw/zinc/22/03/35/371220335.db2.gz JMEWMFWUOFOWLQ-XLNGHYISSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000537852087 376203995 /nfs/dbraw/zinc/20/39/95/376203995.db2.gz UMLHTOPBCOOWFJ-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000133633950 371268020 /nfs/dbraw/zinc/26/80/20/371268020.db2.gz NOZAUXHFWHDHEA-NFAWXSAZSA-N 2 1 296.842 3.037 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000134409516 371332073 /nfs/dbraw/zinc/33/20/73/371332073.db2.gz PAIOEXPHFZXEFU-PBHICJAKSA-N 2 1 260.425 3.240 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)cc1Cl ZINC000136048284 371459045 /nfs/dbraw/zinc/45/90/45/371459045.db2.gz JFOUHLLBPJDKNU-LLVKDONJSA-N 2 1 295.789 3.410 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC000151100361 371567353 /nfs/dbraw/zinc/56/73/53/371567353.db2.gz LUJYQVYJJYLQFG-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC000151100361 371567360 /nfs/dbraw/zinc/56/73/60/371567360.db2.gz LUJYQVYJJYLQFG-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000151131982 371573307 /nfs/dbraw/zinc/57/33/07/371573307.db2.gz HCWFXIGGCOLWTG-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC)cc2)C1 ZINC000151139381 371574878 /nfs/dbraw/zinc/57/48/78/371574878.db2.gz JDNJSZLEVIXGJL-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000152001959 371664552 /nfs/dbraw/zinc/66/45/52/371664552.db2.gz ASTRFRKPQDDTJL-BFYDXBDKSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421831758 371656189 /nfs/dbraw/zinc/65/61/89/371656189.db2.gz LWCQCQZGIBMRCK-LBPRGKRZSA-N 2 1 292.814 3.371 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422564689 371751214 /nfs/dbraw/zinc/75/12/14/371751214.db2.gz WRFBWSJNVMLKHJ-AGIUHOORSA-N 2 1 281.469 3.072 20 0 CGADMP CC(C)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422564689 371751218 /nfs/dbraw/zinc/75/12/18/371751218.db2.gz WRFBWSJNVMLKHJ-AGIUHOORSA-N 2 1 281.469 3.072 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000422565749 371753167 /nfs/dbraw/zinc/75/31/67/371753167.db2.gz ZYUHKNMVWXTUHT-YRGRVCCFSA-N 2 1 298.377 3.093 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc2[nH]c(C)c(C)c2c1)[C@@H]1CCC[NH2+]1 ZINC000422701635 371760301 /nfs/dbraw/zinc/76/03/01/371760301.db2.gz DPKDRMLAOCAHCO-AEFFLSMTSA-N 2 1 285.435 3.405 20 0 CGADMP C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422716490 371766306 /nfs/dbraw/zinc/76/63/06/371766306.db2.gz NHHKWFZVEXVZMG-RRQGHBQHSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3c[nH+]ccc3N)c21 ZINC000422723192 371767328 /nfs/dbraw/zinc/76/73/28/371767328.db2.gz ZVHBSIISKDBXNN-CYBMUJFWSA-N 2 1 294.402 3.177 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337333476 214012160 /nfs/dbraw/zinc/01/21/60/214012160.db2.gz JROMCJJQVQWDOA-SJLPKXTDSA-N 2 1 289.467 3.429 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337333476 214012163 /nfs/dbraw/zinc/01/21/63/214012163.db2.gz JROMCJJQVQWDOA-SJLPKXTDSA-N 2 1 289.467 3.429 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422773154 371797340 /nfs/dbraw/zinc/79/73/40/371797340.db2.gz TUWDOCMDLVDRCM-ZDUSSCGKSA-N 2 1 287.432 3.245 20 0 CGADMP COc1ccc([C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000422779721 371800890 /nfs/dbraw/zinc/80/08/90/371800890.db2.gz GKSXGSIFPWMUOJ-JQFCIGGWSA-N 2 1 276.424 3.122 20 0 CGADMP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)C3C[NH2+]C3)oc21 ZINC000422781338 371803713 /nfs/dbraw/zinc/80/37/13/371803713.db2.gz IMNPJUTUJWYCJX-NWDGAFQWSA-N 2 1 288.391 3.090 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)c1c[nH+]ccc1N ZINC000422779966 371804343 /nfs/dbraw/zinc/80/43/43/371804343.db2.gz COYNDUVETYCADR-QWHCGFSZSA-N 2 1 287.432 3.326 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)Sc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422794988 371812880 /nfs/dbraw/zinc/81/28/80/371812880.db2.gz VDEPKESKQQKISP-BPUTZDHNSA-N 2 1 278.465 3.287 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000422794018 371813544 /nfs/dbraw/zinc/81/35/44/371813544.db2.gz GDFAYDMPOFPRIN-KDOFPFPSSA-N 2 1 286.394 3.182 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+]C3CC[NH2+]CC3)c(C)c2c1 ZINC000422862829 371845409 /nfs/dbraw/zinc/84/54/09/371845409.db2.gz QLGKQHGBJKMDCQ-LBPRGKRZSA-N 2 1 288.391 3.152 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](CC)[NH+]2CCCC2)C12CCCC2 ZINC000344088114 217043646 /nfs/dbraw/zinc/04/36/46/217043646.db2.gz NKYMXUWSBZTFGU-YESZJQIVSA-N 2 1 294.483 3.188 20 0 CGADMP c1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000422868579 371846256 /nfs/dbraw/zinc/84/62/56/371846256.db2.gz VNXCVLUTRCEZOQ-CVEARBPZSA-N 2 1 272.417 3.331 20 0 CGADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000422888962 371855947 /nfs/dbraw/zinc/85/59/47/371855947.db2.gz FAXBQYFAGWFIIU-XJKSGUPXSA-N 2 1 274.433 3.105 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940631 371881374 /nfs/dbraw/zinc/88/13/74/371881374.db2.gz HHJROGKIGWKNQI-GJZGRUSLSA-N 2 1 298.377 3.080 20 0 CGADMP CC(C)CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000154375251 371841110 /nfs/dbraw/zinc/84/11/10/371841110.db2.gz HQOAFXPTBSOHCP-MSOLQXFVSA-N 2 1 292.467 3.066 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC(C)(C)C ZINC000423057329 371937924 /nfs/dbraw/zinc/93/79/24/371937924.db2.gz HBGZHQLETMPOOZ-TWMKSMIVSA-N 2 1 296.499 3.196 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000422981529 371901673 /nfs/dbraw/zinc/90/16/73/371901673.db2.gz ORFKTTFJCZFFNA-CABCVRRESA-N 2 1 258.365 3.182 20 0 CGADMP Cn1cncc1CC[N@@H+](C)Cc1csc2ccccc12 ZINC000290186568 371927364 /nfs/dbraw/zinc/92/73/64/371927364.db2.gz ZPRFONDPLRMCQY-UHFFFAOYSA-N 2 1 285.416 3.309 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423094513 371960919 /nfs/dbraw/zinc/96/09/19/371960919.db2.gz KGOYYXQTNASZDS-WGGXSYPISA-N 2 1 294.389 3.331 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423104127 371967690 /nfs/dbraw/zinc/96/76/90/371967690.db2.gz GSKDHUYLZJTNMW-JYJNAYRXSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290342351 371968123 /nfs/dbraw/zinc/96/81/23/371968123.db2.gz FMMNUMFLZPTKRY-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000290397504 371980942 /nfs/dbraw/zinc/98/09/42/371980942.db2.gz JDTRGSZTIWCEFJ-HNNXBMFYSA-N 2 1 294.389 3.129 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142426 371988671 /nfs/dbraw/zinc/98/86/71/371988671.db2.gz VDLLQYXIYTYWHB-XLAORIBOSA-N 2 1 295.515 3.007 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142424 371988718 /nfs/dbraw/zinc/98/87/18/371988718.db2.gz VDLLQYXIYTYWHB-VSZNYVQBSA-N 2 1 295.515 3.007 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000423145254 371990695 /nfs/dbraw/zinc/99/06/95/371990695.db2.gz JVFATTJEQJGJKB-NVXWUHKLSA-N 2 1 272.436 3.065 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146080 371991064 /nfs/dbraw/zinc/99/10/64/371991064.db2.gz NXULMFRTXMBMDG-JXFSHQFZSA-N 2 1 278.827 3.174 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454539 371991295 /nfs/dbraw/zinc/99/12/95/371991295.db2.gz MMNCFCUARGXXJF-DOTOQJQBSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454539 371991300 /nfs/dbraw/zinc/99/13/00/371991300.db2.gz MMNCFCUARGXXJF-DOTOQJQBSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454539 371991305 /nfs/dbraw/zinc/99/13/05/371991305.db2.gz MMNCFCUARGXXJF-DOTOQJQBSA-N 2 1 283.419 3.084 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000423149943 371993166 /nfs/dbraw/zinc/99/31/66/371993166.db2.gz YHIOLTOVWRIYTH-JXFSHQFZSA-N 2 1 278.827 3.316 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000423162293 371995944 /nfs/dbraw/zinc/99/59/44/371995944.db2.gz OZWCGYTZHLYNBW-BMFZPTHFSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1c[nH+]ccc1N ZINC000423165849 371997495 /nfs/dbraw/zinc/99/74/95/371997495.db2.gz QNJSYVWRRJGKLR-CHWSQXEVSA-N 2 1 261.413 3.361 20 0 CGADMP CCOC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(C)C ZINC000423074556 371947258 /nfs/dbraw/zinc/94/72/58/371947258.db2.gz UYSLGSIREBBRGF-KSZLIROESA-N 2 1 290.451 3.130 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000423075238 371950300 /nfs/dbraw/zinc/95/03/00/371950300.db2.gz WJYPZWUKEAWBIU-AWEZNQCLSA-N 2 1 299.418 3.442 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)(C)C)c1c[nH+]ccc1N ZINC000423192285 372017251 /nfs/dbraw/zinc/01/72/51/372017251.db2.gz UJCMFZNWVIVLQC-WHOFXGATSA-N 2 1 261.413 3.360 20 0 CGADMP Clc1ccccc1C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423196635 372022000 /nfs/dbraw/zinc/02/20/00/372022000.db2.gz VTLPGCUMGGBMGV-HOCLYGCPSA-N 2 1 278.827 3.003 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290588614 372024874 /nfs/dbraw/zinc/02/48/74/372024874.db2.gz VCFVYBUMCRMHMN-QUJHGWJTSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000290588614 372024877 /nfs/dbraw/zinc/02/48/77/372024877.db2.gz VCFVYBUMCRMHMN-QUJHGWJTSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290588614 372024880 /nfs/dbraw/zinc/02/48/80/372024880.db2.gz VCFVYBUMCRMHMN-QUJHGWJTSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290588614 372024884 /nfs/dbraw/zinc/02/48/84/372024884.db2.gz VCFVYBUMCRMHMN-QUJHGWJTSA-N 2 1 272.436 3.362 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000423208562 372029995 /nfs/dbraw/zinc/02/99/95/372029995.db2.gz ZCYSGWZXMMIWKM-GOSISDBHSA-N 2 1 286.394 3.423 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423217446 372035620 /nfs/dbraw/zinc/03/56/20/372035620.db2.gz UFPQJXVECHETTN-LRDDRELGSA-N 2 1 282.378 3.251 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423237474 372041760 /nfs/dbraw/zinc/04/17/60/372041760.db2.gz DJKOOKSELDBTNM-JSGCOSHPSA-N 2 1 286.341 3.151 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1cccc2F)C1CCCCC1 ZINC000423260444 372043822 /nfs/dbraw/zinc/04/38/22/372043822.db2.gz HMBVKXKHJBSJNW-IRXDYDNUSA-N 2 1 276.399 3.310 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423300014 372049729 /nfs/dbraw/zinc/04/97/29/372049729.db2.gz QVGGLWXQKKWOPC-KBPBESRZSA-N 2 1 264.413 3.172 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000158152742 372055833 /nfs/dbraw/zinc/05/58/33/372055833.db2.gz IGVBEFSUAWOVST-UKRRQHHQSA-N 2 1 276.424 3.225 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000158152742 372055839 /nfs/dbraw/zinc/05/58/39/372055839.db2.gz IGVBEFSUAWOVST-UKRRQHHQSA-N 2 1 276.424 3.225 20 0 CGADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000423380839 372058622 /nfs/dbraw/zinc/05/86/22/372058622.db2.gz YTVGFFDUKFDGFO-ZFWWWQNUSA-N 2 1 274.433 3.277 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423181114 372008602 /nfs/dbraw/zinc/00/86/02/372008602.db2.gz FNNIAGFMGJRZDI-IXDOHACOSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1(c2ccccc2)CCCC1 ZINC000423184354 372012727 /nfs/dbraw/zinc/01/27/27/372012727.db2.gz IKTYLDZGRLHRGX-WBVHZDCISA-N 2 1 272.436 3.229 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000423187932 372014459 /nfs/dbraw/zinc/01/44/59/372014459.db2.gz YOXPKRAPOGXWIW-ZDUSSCGKSA-N 2 1 292.423 3.016 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCC3CCCC3)CC[C@@H]21 ZINC000158684437 372079509 /nfs/dbraw/zinc/07/95/09/372079509.db2.gz VRUTXMHKDTWWIH-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]21 ZINC000158684437 372079512 /nfs/dbraw/zinc/07/95/12/372079512.db2.gz VRUTXMHKDTWWIH-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCC3CCCC3)CC[C@@H]21 ZINC000158684437 372079519 /nfs/dbraw/zinc/07/95/19/372079519.db2.gz VRUTXMHKDTWWIH-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](C)C[NH+]3CCCCCC3)C[C@H]2C1 ZINC000424286407 372081509 /nfs/dbraw/zinc/08/15/09/372081509.db2.gz VUBJVEFYSSCJTL-SFFUCWETSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000158960151 372093807 /nfs/dbraw/zinc/09/38/07/372093807.db2.gz NMRCLWJNQVCOOG-NVXWUHKLSA-N 2 1 292.492 3.301 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158965322 372095286 /nfs/dbraw/zinc/09/52/86/372095286.db2.gz WBUPKVAAZFBCIZ-CGTJXYLNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000158965322 372095291 /nfs/dbraw/zinc/09/52/91/372095291.db2.gz WBUPKVAAZFBCIZ-CGTJXYLNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000158965322 372095294 /nfs/dbraw/zinc/09/52/94/372095294.db2.gz WBUPKVAAZFBCIZ-CGTJXYLNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344294490 217137477 /nfs/dbraw/zinc/13/74/77/217137477.db2.gz ITTZFDXHQJUKPO-DZGCQCFKSA-N 2 1 250.430 3.053 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3csc4ccccc34)C2)C1 ZINC000429004398 372304201 /nfs/dbraw/zinc/30/42/01/372304201.db2.gz ZHPCTMUBCGTAII-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3csc4ccccc34)C2)C1 ZINC000429004398 372304206 /nfs/dbraw/zinc/30/42/06/372304206.db2.gz ZHPCTMUBCGTAII-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3csc4ccccc34)C2)C1 ZINC000429004398 372304210 /nfs/dbraw/zinc/30/42/10/372304210.db2.gz ZHPCTMUBCGTAII-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000293239229 372333602 /nfs/dbraw/zinc/33/36/02/372333602.db2.gz BBBPHWPKKDQAPH-QGZVFWFLSA-N 2 1 290.451 3.184 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccn2CCC(C)C)C1 ZINC000161851044 372357127 /nfs/dbraw/zinc/35/71/27/372357127.db2.gz TVARCGONTVCSFD-KRWDZBQOSA-N 2 1 291.483 3.356 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)CCC1 ZINC000429446986 372367954 /nfs/dbraw/zinc/36/79/54/372367954.db2.gz HGIRWOBZARSDQJ-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1sccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000293772441 372477236 /nfs/dbraw/zinc/47/72/36/372477236.db2.gz BGTVMPJBORWVJU-INIZCTEOSA-N 2 1 278.465 3.220 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000162804188 372423228 /nfs/dbraw/zinc/42/32/28/372423228.db2.gz FXLUMGCYEWCWED-VDHUWJSZSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000162804188 372423237 /nfs/dbraw/zinc/42/32/37/372423237.db2.gz FXLUMGCYEWCWED-VDHUWJSZSA-N 2 1 272.436 3.395 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000293660996 372440413 /nfs/dbraw/zinc/44/04/13/372440413.db2.gz NWOPYUIOXLNMIG-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000293660996 372440419 /nfs/dbraw/zinc/44/04/19/372440419.db2.gz NWOPYUIOXLNMIG-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293677612 372447590 /nfs/dbraw/zinc/44/75/90/372447590.db2.gz KDSRRLUUZLYLNJ-QGZVFWFLSA-N 2 1 292.854 3.345 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000163223124 372455835 /nfs/dbraw/zinc/45/58/35/372455835.db2.gz XLMTXFBPICHQCT-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000163223124 372455842 /nfs/dbraw/zinc/45/58/42/372455842.db2.gz XLMTXFBPICHQCT-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000163320703 372461799 /nfs/dbraw/zinc/46/17/99/372461799.db2.gz YVUILFKXOVBJHO-MJGOQNOKSA-N 2 1 286.463 3.248 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000164849782 372536062 /nfs/dbraw/zinc/53/60/62/372536062.db2.gz SJDCZOLRXYXPHU-RDJZCZTQSA-N 2 1 274.452 3.202 20 0 CGADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000166202103 372565866 /nfs/dbraw/zinc/56/58/66/372565866.db2.gz LUYVPHOWNFEYQH-WMLDXEAASA-N 2 1 274.452 3.283 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432817793 372573753 /nfs/dbraw/zinc/57/37/53/372573753.db2.gz UCKSAJJDGYZPON-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432817794 372573897 /nfs/dbraw/zinc/57/38/97/372573897.db2.gz UCKSAJJDGYZPON-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000294661653 372664516 /nfs/dbraw/zinc/66/45/16/372664516.db2.gz AKIREPPIYHBKPT-QGZVFWFLSA-N 2 1 294.389 3.416 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)no1 ZINC000353380353 220052443 /nfs/dbraw/zinc/05/24/43/220052443.db2.gz BBAGBBKERXNVPA-HIFRSBDPSA-N 2 1 279.428 3.288 20 0 CGADMP CCSc1cccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c1 ZINC000435375742 372753925 /nfs/dbraw/zinc/75/39/25/372753925.db2.gz OIRSPFMEOXILFE-OAHLLOKOSA-N 2 1 278.465 3.230 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c1 ZINC000435375742 372753930 /nfs/dbraw/zinc/75/39/30/372753930.db2.gz OIRSPFMEOXILFE-OAHLLOKOSA-N 2 1 278.465 3.230 20 0 CGADMP CC[N@@H+](Cc1sccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435387115 372756817 /nfs/dbraw/zinc/75/68/17/372756817.db2.gz XDSQHCBEYFNWIH-CYBMUJFWSA-N 2 1 252.427 3.021 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@@H]12 ZINC000435391714 372757762 /nfs/dbraw/zinc/75/77/62/372757762.db2.gz XVCQTFGUHNOGIT-DJIMGWMZSA-N 2 1 282.387 3.116 20 0 CGADMP c1cc(C[N@H+](CC2CC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430341 372762270 /nfs/dbraw/zinc/76/22/70/372762270.db2.gz AKMRGNUYCGEWGC-OAHLLOKOSA-N 2 1 276.449 3.102 20 0 CGADMP CCCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687850 372795072 /nfs/dbraw/zinc/79/50/72/372795072.db2.gz JNGAWESVZCNMCW-AWEZNQCLSA-N 2 1 293.480 3.277 20 0 CGADMP Cc1cnccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000295433303 372779672 /nfs/dbraw/zinc/77/96/72/372779672.db2.gz OVKVQOBIVWBADJ-WBVHZDCISA-N 2 1 287.451 3.133 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000435878394 372823557 /nfs/dbraw/zinc/82/35/57/372823557.db2.gz BIOBBGLHITXIKY-CQSZACIVSA-N 2 1 252.789 3.086 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000435878394 372823567 /nfs/dbraw/zinc/82/35/67/372823567.db2.gz BIOBBGLHITXIKY-CQSZACIVSA-N 2 1 252.789 3.086 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172651655 373003995 /nfs/dbraw/zinc/00/39/95/373003995.db2.gz NVODBDSDVLMRSG-MRXNPFEDSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172651655 373004001 /nfs/dbraw/zinc/00/40/01/373004001.db2.gz NVODBDSDVLMRSG-MRXNPFEDSA-N 2 1 290.476 3.326 20 0 CGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cn1 ZINC000296333364 373094306 /nfs/dbraw/zinc/09/43/06/373094306.db2.gz HKAGKGNNNCMANS-HLVVYCRESA-N 2 1 279.815 3.011 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000443641525 373160439 /nfs/dbraw/zinc/16/04/39/373160439.db2.gz LUGXOCPNQXBULI-YLFCFFPRSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000443641525 373160443 /nfs/dbraw/zinc/16/04/43/373160443.db2.gz LUGXOCPNQXBULI-YLFCFFPRSA-N 2 1 262.441 3.195 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c2ccccc2O1 ZINC000296402131 373120613 /nfs/dbraw/zinc/12/06/13/373120613.db2.gz KODJVAPWTAZAFC-XPLWTBFPSA-N 2 1 288.435 3.217 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2ccccc2O1 ZINC000296402131 373120616 /nfs/dbraw/zinc/12/06/16/373120616.db2.gz KODJVAPWTAZAFC-XPLWTBFPSA-N 2 1 288.435 3.217 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431911 373131383 /nfs/dbraw/zinc/13/13/83/373131383.db2.gz NGFNTXUVHRRWBG-UONOGXRCSA-N 2 1 296.405 3.390 20 0 CGADMP CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000444615269 373212691 /nfs/dbraw/zinc/21/26/91/373212691.db2.gz YYJNDHABTNXCBN-MRXNPFEDSA-N 2 1 252.446 3.375 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C12CCCC2 ZINC000353580842 220168759 /nfs/dbraw/zinc/16/87/59/220168759.db2.gz XZMOOAGGWHQPOR-HRCADAONSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000353580842 220168762 /nfs/dbraw/zinc/16/87/62/220168762.db2.gz XZMOOAGGWHQPOR-HRCADAONSA-N 2 1 282.472 3.043 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000445208276 373296771 /nfs/dbraw/zinc/29/67/71/373296771.db2.gz DKBFZSMVZSLJFQ-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000445208276 373296776 /nfs/dbraw/zinc/29/67/76/373296776.db2.gz DKBFZSMVZSLJFQ-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC000446940262 373385308 /nfs/dbraw/zinc/38/53/08/373385308.db2.gz DSQWCRZUFVRKHA-AEFFLSMTSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000300243229 373621501 /nfs/dbraw/zinc/62/15/01/373621501.db2.gz KVVJGHHEBWEBCL-JKSUJKDBSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000300243229 373621508 /nfs/dbraw/zinc/62/15/08/373621508.db2.gz KVVJGHHEBWEBCL-JKSUJKDBSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000176829392 373635421 /nfs/dbraw/zinc/63/54/21/373635421.db2.gz LKRVWZCNJAGHTC-UHFFFAOYSA-N 2 1 283.419 3.077 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449433195 373711875 /nfs/dbraw/zinc/71/18/75/373711875.db2.gz LDTHHAOQOANBIB-JJXSEGSLSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823590 373712176 /nfs/dbraw/zinc/71/21/76/373712176.db2.gz KFIJGWFXQLQYPJ-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823590 373712185 /nfs/dbraw/zinc/71/21/85/373712185.db2.gz KFIJGWFXQLQYPJ-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2cc[nH]c21 ZINC000353649697 220224404 /nfs/dbraw/zinc/22/44/04/220224404.db2.gz TWQGLPDSRPNNCB-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2cc[nH]c21 ZINC000353649697 220224406 /nfs/dbraw/zinc/22/44/06/220224406.db2.gz TWQGLPDSRPNNCB-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc2cc[nH]c21 ZINC000353649697 220224411 /nfs/dbraw/zinc/22/44/11/220224411.db2.gz TWQGLPDSRPNNCB-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP Cc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000353649701 220226485 /nfs/dbraw/zinc/22/64/85/220226485.db2.gz TXRGYOBBUHICMN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000353649701 220226487 /nfs/dbraw/zinc/22/64/87/220226487.db2.gz TXRGYOBBUHICMN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000353649701 220226488 /nfs/dbraw/zinc/22/64/88/220226488.db2.gz TXRGYOBBUHICMN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000353649701 220226490 /nfs/dbraw/zinc/22/64/90/220226490.db2.gz TXRGYOBBUHICMN-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1cc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301245634 373708358 /nfs/dbraw/zinc/70/83/58/373708358.db2.gz KZUGUIIIDSEVFT-CQSZACIVSA-N 2 1 284.407 3.026 20 0 CGADMP Cc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301245634 373708367 /nfs/dbraw/zinc/70/83/67/373708367.db2.gz KZUGUIIIDSEVFT-CQSZACIVSA-N 2 1 284.407 3.026 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000178695443 373803764 /nfs/dbraw/zinc/80/37/64/373803764.db2.gz NRDHQAVXBVCLFX-PXAZEXFGSA-N 2 1 287.382 3.244 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCCCC2 ZINC000178975185 373823452 /nfs/dbraw/zinc/82/34/52/373823452.db2.gz FVGOGWGACXXLFF-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000070344090 541893583 /nfs/dbraw/zinc/89/35/83/541893583.db2.gz QOKVQXYIVSTATA-QZTJIDSGSA-N 2 1 290.451 3.056 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179633947 373895793 /nfs/dbraw/zinc/89/57/93/373895793.db2.gz AADMJBQMHMAHNC-AWEZNQCLSA-N 2 1 286.419 3.379 20 0 CGADMP Cc1cc(N(C)CC[N@@H+](C)C2CC2)c2cc(F)ccc2[nH+]1 ZINC000302243204 373842646 /nfs/dbraw/zinc/84/26/46/373842646.db2.gz JMYQMSMRZKHEOC-UHFFFAOYSA-N 2 1 287.382 3.213 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3nccn32)C12CCC2 ZINC000180749044 374040724 /nfs/dbraw/zinc/04/07/24/374040724.db2.gz CGWJSDXOJFALSU-JKSUJKDBSA-N 2 1 299.418 3.114 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCC(=O)c2ccccc2)CCN1C ZINC000450465075 374148430 /nfs/dbraw/zinc/14/84/30/374148430.db2.gz DBKRTGIUXYTPJW-DOTOQJQBSA-N 2 1 288.435 3.064 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC000450466232 374148519 /nfs/dbraw/zinc/14/85/19/374148519.db2.gz IGOBIJKIEPFSMC-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000181745743 374163845 /nfs/dbraw/zinc/16/38/45/374163845.db2.gz PJNRJOXJIRJAKD-VNQPRFMTSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000181802862 374173398 /nfs/dbraw/zinc/17/33/98/374173398.db2.gz GHQREAQIQCDPKU-WBVHZDCISA-N 2 1 274.452 3.427 20 0 CGADMP C[C@@]1(C[NH2+]Cc2cccnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000309694965 374193150 /nfs/dbraw/zinc/19/31/50/374193150.db2.gz DTXSQBGQRQVFBX-IBGZPJMESA-N 2 1 295.430 3.083 20 0 CGADMP C[C@@]1(C[NH2+]Cc2cccnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309694965 374193154 /nfs/dbraw/zinc/19/31/54/374193154.db2.gz DTXSQBGQRQVFBX-IBGZPJMESA-N 2 1 295.430 3.083 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000309737230 374194838 /nfs/dbraw/zinc/19/48/38/374194838.db2.gz UTKQIRJHWSHZIR-JEDBISTDSA-N 2 1 284.447 3.285 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000309878900 374201366 /nfs/dbraw/zinc/20/13/66/374201366.db2.gz YDMSGMUNFCLPHS-NZSAHSFTSA-N 2 1 284.447 3.429 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000309893777 374201682 /nfs/dbraw/zinc/20/16/82/374201682.db2.gz FPZQVEGWYKXPFI-JQHSSLGASA-N 2 1 270.420 3.039 20 0 CGADMP CCc1nc(N[C@H](C)CCC[NH+](CC)CC)cc(C)[nH+]1 ZINC000312927123 374295250 /nfs/dbraw/zinc/29/52/50/374295250.db2.gz XJELUSAAVNMTIT-CYBMUJFWSA-N 2 1 278.444 3.270 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000453358002 374446081 /nfs/dbraw/zinc/44/60/81/374446081.db2.gz JPTNLYTUIQAJFX-XJKSGUPXSA-N 2 1 292.854 3.487 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000453358002 374446088 /nfs/dbraw/zinc/44/60/88/374446088.db2.gz JPTNLYTUIQAJFX-XJKSGUPXSA-N 2 1 292.854 3.487 20 0 CGADMP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000453361261 374450105 /nfs/dbraw/zinc/45/01/05/374450105.db2.gz QTHKGWZMYLNRHK-NXHRZFHOSA-N 2 1 290.426 3.139 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000090403578 541959778 /nfs/dbraw/zinc/95/97/78/541959778.db2.gz FBLGQGNWCSDQGD-OLZOCXBDSA-N 2 1 281.469 3.224 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000459724930 374817164 /nfs/dbraw/zinc/81/71/64/374817164.db2.gz FIGKBPJYVOWNTE-OIISXLGYSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000459746916 374819276 /nfs/dbraw/zinc/81/92/76/374819276.db2.gz ZHBXGYGKKIAUSB-PVAVHDDUSA-N 2 1 264.457 3.277 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000094357688 541986808 /nfs/dbraw/zinc/98/68/08/541986808.db2.gz YDMWKXVDMAZHRQ-CQSZACIVSA-N 2 1 270.420 3.138 20 0 CGADMP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000186405643 374844507 /nfs/dbraw/zinc/84/45/07/374844507.db2.gz QPDWDIGUJSGOLN-KBXCAEBGSA-N 2 1 285.435 3.007 20 0 CGADMP C(C[NH+]1CCCC2(CC2)C1)C[N@H+]1CCCC2(CC2)C1 ZINC000186968850 374948119 /nfs/dbraw/zinc/94/81/19/374948119.db2.gz VEDPUFXWRQPIGT-UHFFFAOYSA-N 2 1 262.441 3.129 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470020530 374993550 /nfs/dbraw/zinc/99/35/50/374993550.db2.gz JDTNUZQAVKUYPG-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCC12CCCC2)[NH+]1CCCC1 ZINC000474050449 375075062 /nfs/dbraw/zinc/07/50/62/375075062.db2.gz HJIARLKZPGHXAY-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)Cc1ccccc1F ZINC000188069184 375151785 /nfs/dbraw/zinc/15/17/85/375151785.db2.gz CMOZRNQKRPBPJQ-CQSZACIVSA-N 2 1 289.398 3.332 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479479824 375152495 /nfs/dbraw/zinc/15/24/95/375152495.db2.gz KBNKXRYRKOPTLY-ZLIFDBKOSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479479824 375152509 /nfs/dbraw/zinc/15/25/09/375152509.db2.gz KBNKXRYRKOPTLY-ZLIFDBKOSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698072 375155338 /nfs/dbraw/zinc/15/53/38/375155338.db2.gz ASPUOUZXNLKBNN-APWZRJJASA-N 2 1 286.463 3.329 20 0 CGADMP Cc1[nH+]ccc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1Cl ZINC000488723265 375313550 /nfs/dbraw/zinc/31/35/50/375313550.db2.gz QMSJLUMGSCOXQB-YWPYICTPSA-N 2 1 293.842 3.210 20 0 CGADMP CSCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000188714554 375258545 /nfs/dbraw/zinc/25/85/45/375258545.db2.gz XGSRQIZJZIKTLA-BBRMVZONSA-N 2 1 278.465 3.122 20 0 CGADMP COCCC1(C[NH2+]CC[N@H+](C)C2CCCC2)CCCCC1 ZINC000189161928 375335652 /nfs/dbraw/zinc/33/56/52/375335652.db2.gz KXSSMKQTSATMFA-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP COCCC1(C[NH2+]CC[N@@H+](C)C2CCCC2)CCCCC1 ZINC000189161928 375335655 /nfs/dbraw/zinc/33/56/55/375335655.db2.gz KXSSMKQTSATMFA-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP COCC(C)(C)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000494316340 375486259 /nfs/dbraw/zinc/48/62/59/375486259.db2.gz VGMVHJIMJZPPMH-IYBDPMFKSA-N 2 1 284.488 3.007 20 0 CGADMP COCC(C)(C)C[NH2+]CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000494384287 375488595 /nfs/dbraw/zinc/48/85/95/375488595.db2.gz IQPZHXZIEYLCIZ-GJZGRUSLSA-N 2 1 284.488 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000191082017 375573001 /nfs/dbraw/zinc/57/30/01/375573001.db2.gz KJPLHZCJGKDJFT-BSDSXHPESA-N 2 1 276.468 3.395 20 0 CGADMP FC(F)(F)CC[N@@H+](CCn1ccnc1)Cc1ccccc1 ZINC000191239490 375600510 /nfs/dbraw/zinc/60/05/10/375600510.db2.gz HVSMTZSVRZHOQM-UHFFFAOYSA-N 2 1 297.324 3.338 20 0 CGADMP FC(F)(F)CCN(CCn1ccnc1)Cc1ccccc1 ZINC000191239490 375600514 /nfs/dbraw/zinc/60/05/14/375600514.db2.gz HVSMTZSVRZHOQM-UHFFFAOYSA-N 2 1 297.324 3.338 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000336068485 375660983 /nfs/dbraw/zinc/66/09/83/375660983.db2.gz QOESOLXYKXOSLQ-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000336068485 375660988 /nfs/dbraw/zinc/66/09/88/375660988.db2.gz QOESOLXYKXOSLQ-UHFFFAOYSA-N 2 1 280.362 3.025 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508527076 375749145 /nfs/dbraw/zinc/74/91/45/375749145.db2.gz GICUKYVQWSAIRM-FXFXYLOPSA-N 2 1 272.436 3.364 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000508527076 375749147 /nfs/dbraw/zinc/74/91/47/375749147.db2.gz GICUKYVQWSAIRM-FXFXYLOPSA-N 2 1 272.436 3.364 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508527076 375749151 /nfs/dbraw/zinc/74/91/51/375749151.db2.gz GICUKYVQWSAIRM-FXFXYLOPSA-N 2 1 272.436 3.364 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000192675583 375777755 /nfs/dbraw/zinc/77/77/55/375777755.db2.gz YKCJQIPPMSNWLS-QAPCUYQASA-N 2 1 290.451 3.041 20 0 CGADMP CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000192957976 375808950 /nfs/dbraw/zinc/80/89/50/375808950.db2.gz JAUHCGZDZVMFII-ALOPSCKCSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1Cl ZINC000336564551 375834515 /nfs/dbraw/zinc/83/45/15/375834515.db2.gz KQGHJZJZFWTQKB-ONGXEEELSA-N 2 1 293.773 3.410 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000520648797 375869611 /nfs/dbraw/zinc/86/96/11/375869611.db2.gz LBRGTBCNWHOQOJ-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC(C)(C)CC1 ZINC000336804177 375956634 /nfs/dbraw/zinc/95/66/34/375956634.db2.gz NMLHHGKTWNHYNO-UHFFFAOYSA-N 2 1 281.469 3.189 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCSC(C)(C)CC1 ZINC000336804177 375956639 /nfs/dbraw/zinc/95/66/39/375956639.db2.gz NMLHHGKTWNHYNO-UHFFFAOYSA-N 2 1 281.469 3.189 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C[C@H]1C ZINC000534629141 375995761 /nfs/dbraw/zinc/99/57/61/375995761.db2.gz MMQFLFGONIGGOG-KBMXLJTQSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000336830030 375991289 /nfs/dbraw/zinc/99/12/89/375991289.db2.gz BCNGLLJOUJKRBA-QAPCUYQASA-N 2 1 272.436 3.082 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337236763 376155445 /nfs/dbraw/zinc/15/54/45/376155445.db2.gz CIZFWTNJPOVIOQ-RYRKJORJSA-N 2 1 289.467 3.428 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000216005127 376157334 /nfs/dbraw/zinc/15/73/34/376157334.db2.gz PBTZAVYPXBRCOX-LSDHHAIUSA-N 2 1 276.424 3.307 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000216005127 376157340 /nfs/dbraw/zinc/15/73/40/376157340.db2.gz PBTZAVYPXBRCOX-LSDHHAIUSA-N 2 1 276.424 3.307 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000537986819 376216040 /nfs/dbraw/zinc/21/60/40/376216040.db2.gz LOBPMGLTZJHDQF-GDBMZVCRSA-N 2 1 278.465 3.017 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCC(C)(C)C1 ZINC000538738958 376266000 /nfs/dbraw/zinc/26/60/00/376266000.db2.gz YRPGQLYRRCXGHH-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)s1 ZINC000538749796 376267477 /nfs/dbraw/zinc/26/74/77/376267477.db2.gz GTKJSLYYUALUNO-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)s1 ZINC000538749796 376267480 /nfs/dbraw/zinc/26/74/80/376267480.db2.gz GTKJSLYYUALUNO-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327180 376352531 /nfs/dbraw/zinc/35/25/31/376352531.db2.gz VJCKJRJPIFYZLG-NEPJUHHUSA-N 2 1 268.351 3.087 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C)C1CC1 ZINC000539050236 376288837 /nfs/dbraw/zinc/28/88/37/376288837.db2.gz HRLJGSRYGJBZAD-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C)C1CC1 ZINC000539050236 376288842 /nfs/dbraw/zinc/28/88/42/376288842.db2.gz HRLJGSRYGJBZAD-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000539086359 376293826 /nfs/dbraw/zinc/29/38/26/376293826.db2.gz JUPVHOYNSSDXPW-WOSRLPQWSA-N 2 1 296.842 3.037 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cccs2)[C@H](C)C1 ZINC000540161477 376362451 /nfs/dbraw/zinc/36/24/51/376362451.db2.gz WABHKJIUFHSJAN-HIFRSBDPSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000540173470 376362933 /nfs/dbraw/zinc/36/29/33/376362933.db2.gz FWMOQAQQHOBQRJ-HNAYVOBHSA-N 2 1 282.431 3.312 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000226902225 376375328 /nfs/dbraw/zinc/37/53/28/376375328.db2.gz DJFLTAVGYSBBEG-ZNMIVQPWSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000226902225 376375331 /nfs/dbraw/zinc/37/53/31/376375331.db2.gz DJFLTAVGYSBBEG-ZNMIVQPWSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000540608287 376385648 /nfs/dbraw/zinc/38/56/48/376385648.db2.gz XIUHLPHPBXZBPW-SFHVURJKSA-N 2 1 270.420 3.379 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC000228537643 376439886 /nfs/dbraw/zinc/43/98/86/376439886.db2.gz CSKXICPJRLZXAN-LALPHHSUSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC000228537643 376439891 /nfs/dbraw/zinc/43/98/91/376439891.db2.gz CSKXICPJRLZXAN-LALPHHSUSA-N 2 1 282.790 3.038 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000542549175 376558302 /nfs/dbraw/zinc/55/83/02/376558302.db2.gz AOZPZBZKDVKYRL-QZTJIDSGSA-N 2 1 292.442 3.467 20 0 CGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000230767108 376540280 /nfs/dbraw/zinc/54/02/80/376540280.db2.gz OFWSSEJIGNUJIZ-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP CCN1CC[C@H]([N@@H+](C)[C@@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093559 376604728 /nfs/dbraw/zinc/60/47/28/376604728.db2.gz MGKFFKZPTIBJRY-DZKIICNBSA-N 2 1 280.481 3.484 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093559 376604747 /nfs/dbraw/zinc/60/47/47/376604747.db2.gz MGKFFKZPTIBJRY-DZKIICNBSA-N 2 1 280.481 3.484 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093559 376604754 /nfs/dbraw/zinc/60/47/54/376604754.db2.gz MGKFFKZPTIBJRY-DZKIICNBSA-N 2 1 280.481 3.484 20 0 CGADMP Cc1ccc([C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000543253309 376624466 /nfs/dbraw/zinc/62/44/66/376624466.db2.gz OVVFXXMZLDPISI-ROUUACIJSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000543253309 376624476 /nfs/dbraw/zinc/62/44/76/376624476.db2.gz OVVFXXMZLDPISI-ROUUACIJSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000543253309 376624492 /nfs/dbraw/zinc/62/44/92/376624492.db2.gz OVVFXXMZLDPISI-ROUUACIJSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc([C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000543254346 376626392 /nfs/dbraw/zinc/62/63/92/376626392.db2.gz YBXASOYAEMFKAR-QZTJIDSGSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000543254346 376626396 /nfs/dbraw/zinc/62/63/96/376626396.db2.gz YBXASOYAEMFKAR-QZTJIDSGSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000543254346 376626404 /nfs/dbraw/zinc/62/64/04/376626404.db2.gz YBXASOYAEMFKAR-QZTJIDSGSA-N 2 1 272.436 3.269 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)[C@H](C)C1 ZINC000543428800 376639171 /nfs/dbraw/zinc/63/91/71/376639171.db2.gz DSEFXRKCBDJLKP-RDBSUJKOSA-N 2 1 272.502 3.084 20 0 CGADMP CC(C)CCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000339408438 376751067 /nfs/dbraw/zinc/75/10/67/376751067.db2.gz HNDZQZLPHYXNBG-SFHVURJKSA-N 2 1 289.467 3.462 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245443028 376818904 /nfs/dbraw/zinc/81/89/04/376818904.db2.gz WUPYDGOTOIEHRR-WMZOPIPTSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245443028 376818916 /nfs/dbraw/zinc/81/89/16/376818916.db2.gz WUPYDGOTOIEHRR-WMZOPIPTSA-N 2 1 290.451 3.036 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339713883 376819924 /nfs/dbraw/zinc/81/99/24/376819924.db2.gz YKQQKQADGZCDHK-CVEARBPZSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339713883 376819931 /nfs/dbraw/zinc/81/99/31/376819931.db2.gz YKQQKQADGZCDHK-CVEARBPZSA-N 2 1 275.440 3.482 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245468573 376824819 /nfs/dbraw/zinc/82/48/19/376824819.db2.gz TZMFROQTDJNKFL-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245468573 376824830 /nfs/dbraw/zinc/82/48/30/376824830.db2.gz TZMFROQTDJNKFL-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCCCC2)[C@@H](C)C1 ZINC000245420931 376813239 /nfs/dbraw/zinc/81/32/39/376813239.db2.gz HRZYMHMKZQYLQW-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCCCC2)[C@@H](C)C1 ZINC000245420931 376813245 /nfs/dbraw/zinc/81/32/45/376813245.db2.gz HRZYMHMKZQYLQW-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000556762186 376875798 /nfs/dbraw/zinc/87/57/98/376875798.db2.gz KGRFVOVONBCINM-KBAYOESNSA-N 2 1 272.436 3.110 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000556816664 376885546 /nfs/dbraw/zinc/88/55/46/376885546.db2.gz KVNBVZUCXTYQDH-HOTGVXAUSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000245911000 376931874 /nfs/dbraw/zinc/93/18/74/376931874.db2.gz MLAYECRCXSZDTL-IXDOHACOSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@]1(C)CCCO1 ZINC000340187189 376940887 /nfs/dbraw/zinc/94/08/87/376940887.db2.gz UWJTZWCVKGAYPQ-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCC(F)(F)C1 ZINC000340281524 376978389 /nfs/dbraw/zinc/97/83/89/376978389.db2.gz WJDXHXPUQZQRDG-UONOGXRCSA-N 2 1 274.399 3.228 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCC(F)(F)C1 ZINC000340281524 376978392 /nfs/dbraw/zinc/97/83/92/376978392.db2.gz WJDXHXPUQZQRDG-UONOGXRCSA-N 2 1 274.399 3.228 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246414397 377025965 /nfs/dbraw/zinc/02/59/65/377025965.db2.gz BTCXMKNJNRPEFQ-HKUYNNGSSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246414397 377025968 /nfs/dbraw/zinc/02/59/68/377025968.db2.gz BTCXMKNJNRPEFQ-HKUYNNGSSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246414397 377025973 /nfs/dbraw/zinc/02/59/73/377025973.db2.gz BTCXMKNJNRPEFQ-HKUYNNGSSA-N 2 1 284.447 3.444 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000558622663 377026587 /nfs/dbraw/zinc/02/65/87/377026587.db2.gz HNUNBTCIUWFYDF-CQSZACIVSA-N 2 1 273.424 3.199 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000558256505 376990789 /nfs/dbraw/zinc/99/07/89/376990789.db2.gz ISLKRSGGASWDBW-BRWVUGGUSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000558256505 376990793 /nfs/dbraw/zinc/99/07/93/376990793.db2.gz ISLKRSGGASWDBW-BRWVUGGUSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000340468858 377081250 /nfs/dbraw/zinc/08/12/50/377081250.db2.gz UVEFTIGUTCIRKT-LEUOFYLZSA-N 2 1 290.426 3.235 20 0 CGADMP C[N@H+]1CC[C@H](NCc2c(F)cc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000340492949 377098920 /nfs/dbraw/zinc/09/89/20/377098920.db2.gz XILACDVQHZWQRQ-UVBJJODRSA-N 2 1 298.352 3.066 20 0 CGADMP Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247030956 377142937 /nfs/dbraw/zinc/14/29/37/377142937.db2.gz YJPUXDPZKJOCKH-HKUYNNGSSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247030956 377142950 /nfs/dbraw/zinc/14/29/50/377142950.db2.gz YJPUXDPZKJOCKH-HKUYNNGSSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247030956 377142960 /nfs/dbraw/zinc/14/29/60/377142960.db2.gz YJPUXDPZKJOCKH-HKUYNNGSSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c21 ZINC000247051824 377147881 /nfs/dbraw/zinc/14/78/81/377147881.db2.gz OYDJKCODPLSXJE-RVKKMQEKSA-N 2 1 299.462 3.337 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000247048891 377148407 /nfs/dbraw/zinc/14/84/07/377148407.db2.gz NCDBLVJTBYRVTA-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000560527864 377163391 /nfs/dbraw/zinc/16/33/91/377163391.db2.gz DHXROOPTSWTWNG-SSDAWUQTSA-N 2 1 276.468 3.418 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000560515264 377164055 /nfs/dbraw/zinc/16/40/55/377164055.db2.gz WOCVDAVKBCLRNA-OAGGEKHMSA-N 2 1 278.465 3.273 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000560523800 377164425 /nfs/dbraw/zinc/16/44/25/377164425.db2.gz CKMYJKBHJQIUFB-DVOMOZLQSA-N 2 1 296.405 3.358 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000560523800 377164431 /nfs/dbraw/zinc/16/44/31/377164431.db2.gz CKMYJKBHJQIUFB-DVOMOZLQSA-N 2 1 296.405 3.358 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nc(C)sc32)C1 ZINC000247240684 377183060 /nfs/dbraw/zinc/18/30/60/377183060.db2.gz YYBQYYVSKDYHIU-KGLIPLIRSA-N 2 1 293.480 3.150 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2cccs2)[C@@H](C)C1 ZINC000247256103 377185807 /nfs/dbraw/zinc/18/58/07/377185807.db2.gz YSUIRTDOVGYHEF-DZKIICNBSA-N 2 1 280.481 3.247 20 0 CGADMP CC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404210 377308014 /nfs/dbraw/zinc/30/80/14/377308014.db2.gz PRKGSEUSSDITCS-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2ccccc2C1(C)C ZINC000562863100 377366484 /nfs/dbraw/zinc/36/64/84/377366484.db2.gz VWLRCXZZWJCDBO-INIZCTEOSA-N 2 1 272.436 3.264 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC000248677866 377380985 /nfs/dbraw/zinc/38/09/85/377380985.db2.gz BFILFGARRNAZRD-ZBFHGGJFSA-N 2 1 292.471 3.155 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC000248677866 377380996 /nfs/dbraw/zinc/38/09/96/377380996.db2.gz BFILFGARRNAZRD-ZBFHGGJFSA-N 2 1 292.471 3.155 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248544989 377342450 /nfs/dbraw/zinc/34/24/50/377342450.db2.gz DFRLLCYMQKUSOY-MJGOQNOKSA-N 2 1 286.463 3.283 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249056334 377452514 /nfs/dbraw/zinc/45/25/14/377452514.db2.gz GUHMRTDHOIQNDB-ULQDDVLXSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000249056334 377452518 /nfs/dbraw/zinc/45/25/18/377452518.db2.gz GUHMRTDHOIQNDB-ULQDDVLXSA-N 2 1 264.457 3.252 20 0 CGADMP CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000249095108 377460934 /nfs/dbraw/zinc/46/09/34/377460934.db2.gz FNFTVTDFGIBAIV-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249095108 377460946 /nfs/dbraw/zinc/46/09/46/377460946.db2.gz FNFTVTDFGIBAIV-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249095108 377460969 /nfs/dbraw/zinc/46/09/69/377460969.db2.gz FNFTVTDFGIBAIV-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CSCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000249188587 377476011 /nfs/dbraw/zinc/47/60/11/377476011.db2.gz MKFVHTYZVHMMSC-SJORKVTESA-N 2 1 290.476 3.266 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCCO2)C1 ZINC000249263331 377482357 /nfs/dbraw/zinc/48/23/57/377482357.db2.gz IEYNORSTSORSEM-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249263331 377482363 /nfs/dbraw/zinc/48/23/63/377482363.db2.gz IEYNORSTSORSEM-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000249263331 377482369 /nfs/dbraw/zinc/48/23/69/377482369.db2.gz IEYNORSTSORSEM-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2SC)C1 ZINC000249656597 377520344 /nfs/dbraw/zinc/52/03/44/377520344.db2.gz ZQSNQOGHTXERFL-ZIAGYGMSSA-N 2 1 278.465 3.401 20 0 CGADMP CC[C@H](CSC)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000091099802 249030821 /nfs/dbraw/zinc/03/08/21/249030821.db2.gz QWLILBOIWGEQRM-CQSZACIVSA-N 2 1 269.458 3.045 20 0 CGADMP CC[C@H](CSC)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000091099802 249030824 /nfs/dbraw/zinc/03/08/24/249030824.db2.gz QWLILBOIWGEQRM-CQSZACIVSA-N 2 1 269.458 3.045 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1OC ZINC000037644438 249003177 /nfs/dbraw/zinc/00/31/77/249003177.db2.gz KTSHPIOPLUFBKO-GDBMZVCRSA-N 2 1 276.424 3.078 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249583079 377516990 /nfs/dbraw/zinc/51/69/90/377516990.db2.gz NTAVXKNMAGJYKG-HZPDHXFCSA-N 2 1 290.451 3.411 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249583079 377516995 /nfs/dbraw/zinc/51/69/95/377516995.db2.gz NTAVXKNMAGJYKG-HZPDHXFCSA-N 2 1 290.451 3.411 20 0 CGADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000469984656 249164527 /nfs/dbraw/zinc/16/45/27/249164527.db2.gz UIVZEPXAWGUAAX-LBPRGKRZSA-N 2 1 286.341 3.232 20 0 CGADMP CC(C)([NH3+])C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000469984656 249164529 /nfs/dbraw/zinc/16/45/29/249164529.db2.gz UIVZEPXAWGUAAX-LBPRGKRZSA-N 2 1 286.341 3.232 20 0 CGADMP Cc1ccccc1CCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499939093 249176891 /nfs/dbraw/zinc/17/68/91/249176891.db2.gz JMWJXECDLGWGLD-UHFFFAOYSA-N 2 1 274.452 3.345 20 0 CGADMP Cc1ccc2cc([C@H](C)[NH2+]CCc3c[nH+]cn3C)oc2c1 ZINC000515112978 249201334 /nfs/dbraw/zinc/20/13/34/249201334.db2.gz NNIKVMOEBNEBRG-ZDUSSCGKSA-N 2 1 283.375 3.368 20 0 CGADMP c1nc2ccc(NCc3ccc(N4CCCC4)nc3)cc2[nH]1 ZINC000573842231 377583428 /nfs/dbraw/zinc/58/34/28/377583428.db2.gz UPLDNQDERGCYGM-UHFFFAOYSA-N 2 1 293.374 3.170 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251532340 377586598 /nfs/dbraw/zinc/58/65/98/377586598.db2.gz AJFZMBOWHDINTN-FJBKBRRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251702543 377596032 /nfs/dbraw/zinc/59/60/32/377596032.db2.gz ODUBMJPHKCLOSS-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H]1C[C@@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@@H+]1C ZINC000180061182 542205905 /nfs/dbraw/zinc/20/59/05/542205905.db2.gz UEXDAHTYZUOJAZ-WFASDCNBSA-N 2 1 298.434 3.345 20 0 CGADMP C[C@H]1C[C@@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[N@H+]1C ZINC000180061182 542205910 /nfs/dbraw/zinc/20/59/10/542205910.db2.gz UEXDAHTYZUOJAZ-WFASDCNBSA-N 2 1 298.434 3.345 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000252186235 377617864 /nfs/dbraw/zinc/61/78/64/377617864.db2.gz UIGUPOFCDBBEHJ-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000252186235 377617877 /nfs/dbraw/zinc/61/78/77/377617877.db2.gz UIGUPOFCDBBEHJ-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](C2CCCC2)CC1 ZINC000574204171 377634712 /nfs/dbraw/zinc/63/47/12/377634712.db2.gz SQDBYYLNZVUFGD-INIZCTEOSA-N 2 1 295.515 3.103 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698163 377652270 /nfs/dbraw/zinc/65/22/70/377652270.db2.gz LLGGTDZRHJCMAN-IJLUTSLNSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698163 377652276 /nfs/dbraw/zinc/65/22/76/377652276.db2.gz LLGGTDZRHJCMAN-IJLUTSLNSA-N 2 1 297.240 3.179 20 0 CGADMP CCc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c1 ZINC000575064702 377745414 /nfs/dbraw/zinc/74/54/14/377745414.db2.gz KEWRBLMZXJLURN-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000261561587 377817736 /nfs/dbraw/zinc/81/77/36/377817736.db2.gz FZJMEEAEHUWNBH-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261575939 377819992 /nfs/dbraw/zinc/81/99/92/377819992.db2.gz NKIUKDZLTURUTG-DZGBDDFRSA-N 2 1 264.800 3.070 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc4ccccc34)C[C@@H]12 ZINC000261631281 377828297 /nfs/dbraw/zinc/82/82/97/377828297.db2.gz WAKUGTJNCITBMJ-KCPJHIHWSA-N 2 1 272.417 3.070 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000261630622 377829752 /nfs/dbraw/zinc/82/97/52/377829752.db2.gz CWEJCIIACFGWDJ-KRWDZBQOSA-N 2 1 288.366 3.256 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000261679349 377839120 /nfs/dbraw/zinc/83/91/20/377839120.db2.gz GPTXMXRTTAYFAG-ROUUACIJSA-N 2 1 266.388 3.024 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261871542 377863177 /nfs/dbraw/zinc/86/31/77/377863177.db2.gz XJDQYTHMVPBHTI-AEFFLSMTSA-N 2 1 284.378 3.000 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000261982375 377875968 /nfs/dbraw/zinc/87/59/68/377875968.db2.gz RNUKLBOBAGKFAG-GDBMZVCRSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000261982375 377875974 /nfs/dbraw/zinc/87/59/74/377875974.db2.gz RNUKLBOBAGKFAG-GDBMZVCRSA-N 2 1 299.418 3.209 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262089394 377885795 /nfs/dbraw/zinc/88/57/95/377885795.db2.gz URVIEDNTNWUJFA-COXVUDFISA-N 2 1 276.399 3.208 20 0 CGADMP CC[N@@H+](CCCn1ccnc1C)Cc1cccc(F)c1 ZINC000342865293 377846259 /nfs/dbraw/zinc/84/62/59/377846259.db2.gz UORFVYJARNNEJG-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1cccc(F)c1 ZINC000342865293 377846262 /nfs/dbraw/zinc/84/62/62/377846262.db2.gz UORFVYJARNNEJG-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cccc(F)c1 ZINC000342865293 377846266 /nfs/dbraw/zinc/84/62/66/377846266.db2.gz UORFVYJARNNEJG-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CCSCC[C@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000342866352 377849567 /nfs/dbraw/zinc/84/95/67/377849567.db2.gz ZWOAFBJHUCCWCY-ZDUSSCGKSA-N 2 1 269.458 3.045 20 0 CGADMP CCSCC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000342866352 377849574 /nfs/dbraw/zinc/84/95/74/377849574.db2.gz ZWOAFBJHUCCWCY-ZDUSSCGKSA-N 2 1 269.458 3.045 20 0 CGADMP CCSCC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000342866352 377849576 /nfs/dbraw/zinc/84/95/76/377849576.db2.gz ZWOAFBJHUCCWCY-ZDUSSCGKSA-N 2 1 269.458 3.045 20 0 CGADMP CCC[N@@H+](C[C@@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000261773854 377852902 /nfs/dbraw/zinc/85/29/02/377852902.db2.gz DWEGMRCDBGJKAZ-OAHLLOKOSA-N 2 1 260.425 3.254 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)ccc2c1 ZINC000261823916 377857552 /nfs/dbraw/zinc/85/75/52/377857552.db2.gz AXPAQSARJLIAIV-KDOFPFPSSA-N 2 1 298.430 3.408 20 0 CGADMP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000261848982 377861308 /nfs/dbraw/zinc/86/13/08/377861308.db2.gz VBSAJMCTHJPJML-XUVXKRRUSA-N 2 1 292.426 3.491 20 0 CGADMP [NH3+][C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000261848982 377861312 /nfs/dbraw/zinc/86/13/12/377861312.db2.gz VBSAJMCTHJPJML-XUVXKRRUSA-N 2 1 292.426 3.491 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000343638429 378050819 /nfs/dbraw/zinc/05/08/19/378050819.db2.gz WXHJYLSQGRQXCW-LSDHHAIUSA-N 2 1 299.393 3.090 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000268822548 378122138 /nfs/dbraw/zinc/12/21/38/378122138.db2.gz POWUJBOYUBFQLQ-CQSZACIVSA-N 2 1 257.381 3.159 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000268830671 378125530 /nfs/dbraw/zinc/12/55/30/378125530.db2.gz DXQQZKLWYSFBPJ-AWEZNQCLSA-N 2 1 289.398 3.332 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000579095725 378129615 /nfs/dbraw/zinc/12/96/15/378129615.db2.gz IJYGRSSTRZVVCU-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000579095725 378129618 /nfs/dbraw/zinc/12/96/18/378129618.db2.gz IJYGRSSTRZVVCU-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[N@H+](C)CC[C@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000579185511 378137660 /nfs/dbraw/zinc/13/76/60/378137660.db2.gz YQMOMJULAPDQCC-KRWDZBQOSA-N 2 1 290.451 3.086 20 0 CGADMP COCC[N@@H+](C)CC[C@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000579185511 378137666 /nfs/dbraw/zinc/13/76/66/378137666.db2.gz YQMOMJULAPDQCC-KRWDZBQOSA-N 2 1 290.451 3.086 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(C)(CC(C)C)CC1 ZINC000343959901 378144833 /nfs/dbraw/zinc/14/48/33/378144833.db2.gz HGNBXTIXAHEGGR-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc3cccnc32)[C@H](C)C1 ZINC000268758314 378104382 /nfs/dbraw/zinc/10/43/82/378104382.db2.gz KFWDGXCXTMCLMZ-CRAIPNDOSA-N 2 1 297.446 3.097 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000268785094 378110614 /nfs/dbraw/zinc/11/06/14/378110614.db2.gz DKWAGEMBAZTRSR-ZDUSSCGKSA-N 2 1 280.375 3.091 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000269113034 378189041 /nfs/dbraw/zinc/18/90/41/378189041.db2.gz VZLHOAPLYREJIJ-RLFYNMQTSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000269113034 378189048 /nfs/dbraw/zinc/18/90/48/378189048.db2.gz VZLHOAPLYREJIJ-RLFYNMQTSA-N 2 1 272.436 3.428 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000579819928 378197900 /nfs/dbraw/zinc/19/79/00/378197900.db2.gz FEICBHAAAGGUOH-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000579819928 378197905 /nfs/dbraw/zinc/19/79/05/378197905.db2.gz FEICBHAAAGGUOH-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000345150757 378207009 /nfs/dbraw/zinc/20/70/09/378207009.db2.gz ZATCOXTVXQFJNV-UHFFFAOYSA-N 2 1 272.436 3.237 20 0 CGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269029774 378177167 /nfs/dbraw/zinc/17/71/67/378177167.db2.gz RUUJMLLTNXBAMX-NXHRZFHOSA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269029774 378177172 /nfs/dbraw/zinc/17/71/72/378177172.db2.gz RUUJMLLTNXBAMX-NXHRZFHOSA-N 2 1 290.451 3.054 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc1SC ZINC000269053280 378180390 /nfs/dbraw/zinc/18/03/90/378180390.db2.gz WEELJISUVNWADN-CHWSQXEVSA-N 2 1 296.480 3.408 20 0 CGADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000269856795 378273834 /nfs/dbraw/zinc/27/38/34/378273834.db2.gz HJPNBYRSLPXKCO-MEDUHNTESA-N 2 1 292.373 3.026 20 0 CGADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000269856795 378273839 /nfs/dbraw/zinc/27/38/39/378273839.db2.gz HJPNBYRSLPXKCO-MEDUHNTESA-N 2 1 292.373 3.026 20 0 CGADMP Cc1nsc(C)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000582189029 378291554 /nfs/dbraw/zinc/29/15/54/378291554.db2.gz DGLOKXPTGYPWDM-UHFFFAOYSA-N 2 1 295.496 3.312 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000583322518 378321943 /nfs/dbraw/zinc/32/19/43/378321943.db2.gz MTRGFZNIKBURQU-JSGCOSHPSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000583322518 378321949 /nfs/dbraw/zinc/32/19/49/378321949.db2.gz MTRGFZNIKBURQU-JSGCOSHPSA-N 2 1 293.480 3.360 20 0 CGADMP Cc1nccn1CC[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000270854912 378405783 /nfs/dbraw/zinc/40/57/83/378405783.db2.gz IXPOBZFGCZLJFU-MAUKXSAKSA-N 2 1 283.419 3.145 20 0 CGADMP Cc1nccn1CC[N@H+](C)Cc1cccc2ccccc21 ZINC000270666231 378384128 /nfs/dbraw/zinc/38/41/28/378384128.db2.gz QGTBOXMOOZPFQA-UHFFFAOYSA-N 2 1 279.387 3.477 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc2ccccc21 ZINC000270666231 378384135 /nfs/dbraw/zinc/38/41/35/378384135.db2.gz QGTBOXMOOZPFQA-UHFFFAOYSA-N 2 1 279.387 3.477 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc2ccccc21 ZINC000270666231 378384143 /nfs/dbraw/zinc/38/41/43/378384143.db2.gz QGTBOXMOOZPFQA-UHFFFAOYSA-N 2 1 279.387 3.477 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000346132508 378473272 /nfs/dbraw/zinc/47/32/72/378473272.db2.gz LVXSIMCDVAAOEZ-AWEZNQCLSA-N 2 1 272.396 3.052 20 0 CGADMP c1cn(-c2csc(C[N@H+]3CCC4(CCC4)C3)c2)cn1 ZINC000346174124 378489977 /nfs/dbraw/zinc/48/99/77/378489977.db2.gz NMUKFVWDNUCEEP-UHFFFAOYSA-N 2 1 273.405 3.310 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000272003275 378543883 /nfs/dbraw/zinc/54/38/83/378543883.db2.gz SEJUDIQVSXHBJD-CYBMUJFWSA-N 2 1 275.371 3.114 20 0 CGADMP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000272035617 378550680 /nfs/dbraw/zinc/55/06/80/378550680.db2.gz NVJLEEVFOVXUMK-WMZOPIPTSA-N 2 1 288.435 3.220 20 0 CGADMP COC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000346530041 378606035 /nfs/dbraw/zinc/60/60/35/378606035.db2.gz QMWUBDIWTWVQDN-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000346555291 378618431 /nfs/dbraw/zinc/61/84/31/378618431.db2.gz KZQUEQAQKKTDOS-INIZCTEOSA-N 2 1 282.472 3.044 20 0 CGADMP C(C[C@H]1CCO1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638022649 378672474 /nfs/dbraw/zinc/67/24/74/378672474.db2.gz KFGQNLTUXRNLOE-MSOLQXFVSA-N 2 1 294.483 3.144 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346677830 378672539 /nfs/dbraw/zinc/67/25/39/378672539.db2.gz LREPEBPZDHRRLS-STQMWFEESA-N 2 1 272.392 3.164 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2s1)CC(C)(C)C[NH3+] ZINC000346679889 378672972 /nfs/dbraw/zinc/67/29/72/378672972.db2.gz MIEYMIZDTNZLIG-UHFFFAOYSA-N 2 1 262.422 3.318 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000346849188 378694918 /nfs/dbraw/zinc/69/49/18/378694918.db2.gz RSVOWTRQOASZDP-ZBFHGGJFSA-N 2 1 250.430 3.031 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346840487 378695094 /nfs/dbraw/zinc/69/50/94/378695094.db2.gz ZZHATUNTSKJTDA-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H]([NH2+]C1(C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272853272 378712887 /nfs/dbraw/zinc/71/28/87/378712887.db2.gz SXJPSGMIWVVUSX-RDJZCZTQSA-N 2 1 272.436 3.429 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181253 378725385 /nfs/dbraw/zinc/72/53/85/378725385.db2.gz YGHZXAQKFORIDT-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181253 378725392 /nfs/dbraw/zinc/72/53/92/378725392.db2.gz YGHZXAQKFORIDT-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181253 378725399 /nfs/dbraw/zinc/72/53/99/378725399.db2.gz YGHZXAQKFORIDT-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP Cc1ccncc1CCC[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000348049134 378766047 /nfs/dbraw/zinc/76/60/47/378766047.db2.gz UXWXJNGCUSCZSH-IRXDYDNUSA-N 2 1 289.467 3.175 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070229 378775833 /nfs/dbraw/zinc/77/58/33/378775833.db2.gz IRQKKVZLXMBCDP-SJORKVTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070229 378775838 /nfs/dbraw/zinc/77/58/38/378775838.db2.gz IRQKKVZLXMBCDP-SJORKVTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070229 378775841 /nfs/dbraw/zinc/77/58/41/378775841.db2.gz IRQKKVZLXMBCDP-SJORKVTESA-N 2 1 276.399 3.447 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC2CCSCC2)C1 ZINC000638365543 378779572 /nfs/dbraw/zinc/77/95/72/378779572.db2.gz FTSORFMESVHWIU-HNNXBMFYSA-N 2 1 284.513 3.231 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638457039 378809847 /nfs/dbraw/zinc/80/98/47/378809847.db2.gz IYVKPBVZLDIEIE-UHFFFAOYSA-N 2 1 259.397 3.204 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000638462173 378811759 /nfs/dbraw/zinc/81/17/59/378811759.db2.gz JUYUAOKBZGKTLO-HOCLYGCPSA-N 2 1 261.413 3.306 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC000346849807 218036323 /nfs/dbraw/zinc/03/63/23/218036323.db2.gz SKHLMZJKOZYHNR-SQWLQELKSA-N 2 1 278.827 3.208 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346854243 218037683 /nfs/dbraw/zinc/03/76/83/218037683.db2.gz TZPLKYALOWVBHL-RCBQFDQVSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CCc1ccc(C)cc1 ZINC000638674101 378868303 /nfs/dbraw/zinc/86/83/03/378868303.db2.gz FFUQTMGSYWUGII-UHFFFAOYSA-N 2 1 271.408 3.112 20 0 CGADMP c1ccc(CC2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000346904475 218054723 /nfs/dbraw/zinc/05/47/23/218054723.db2.gz LVVASDQMHIXZMY-ROUUACIJSA-N 2 1 284.447 3.368 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347036514 218100169 /nfs/dbraw/zinc/10/01/69/218100169.db2.gz GZAFJCOEADXGBP-HOCLYGCPSA-N 2 1 276.424 3.035 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347036514 218100170 /nfs/dbraw/zinc/10/01/70/218100170.db2.gz GZAFJCOEADXGBP-HOCLYGCPSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241383 378952845 /nfs/dbraw/zinc/95/28/45/378952845.db2.gz GWRUZEOGPRHITI-SWLSCSKDSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241383 378952847 /nfs/dbraw/zinc/95/28/47/378952847.db2.gz GWRUZEOGPRHITI-SWLSCSKDSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241383 378952850 /nfs/dbraw/zinc/95/28/50/378952850.db2.gz GWRUZEOGPRHITI-SWLSCSKDSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241383 378952855 /nfs/dbraw/zinc/95/28/55/378952855.db2.gz GWRUZEOGPRHITI-SWLSCSKDSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638970666 378961167 /nfs/dbraw/zinc/96/11/67/378961167.db2.gz MSKFMHXSWXKJKP-GDBMZVCRSA-N 2 1 296.524 3.372 20 0 CGADMP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638971887 378963058 /nfs/dbraw/zinc/96/30/58/378963058.db2.gz RTTHSUFWBFLLRY-BARDWOONSA-N 2 1 282.497 3.123 20 0 CGADMP CCS[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348483706 378966509 /nfs/dbraw/zinc/96/65/09/378966509.db2.gz ZOOBTXHERDWQJM-GJZGRUSLSA-N 2 1 281.469 3.236 20 0 CGADMP CC(C)CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370306988 379005667 /nfs/dbraw/zinc/00/56/67/379005667.db2.gz XZFQRCQGZVSEGW-HNNXBMFYSA-N 2 1 275.440 3.445 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)CC[N@H+]1C ZINC000370619737 379039993 /nfs/dbraw/zinc/03/99/93/379039993.db2.gz FIWIHXCGOVMAEG-HNAYVOBHSA-N 2 1 295.430 3.321 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003331 379044188 /nfs/dbraw/zinc/04/41/88/379044188.db2.gz ASSAGBNZAPFWEE-YDHLFZDLSA-N 2 1 296.842 3.180 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277103520 379070372 /nfs/dbraw/zinc/07/03/72/379070372.db2.gz GRKJWNDNNVXEPM-CVEARBPZSA-N 2 1 260.425 3.472 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000277240476 379108446 /nfs/dbraw/zinc/10/84/46/379108446.db2.gz ZSKJMIOXEVZSRN-DZGCQCFKSA-N 2 1 294.389 3.427 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000277240476 379108450 /nfs/dbraw/zinc/10/84/50/379108450.db2.gz ZSKJMIOXEVZSRN-DZGCQCFKSA-N 2 1 294.389 3.427 20 0 CGADMP CCCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCC1 ZINC000639177131 379096543 /nfs/dbraw/zinc/09/65/43/379096543.db2.gz AZOPWFGIERPJCV-KBMXLJTQSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC1 ZINC000639177131 379096545 /nfs/dbraw/zinc/09/65/45/379096545.db2.gz AZOPWFGIERPJCV-KBMXLJTQSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1scc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000639178758 379098433 /nfs/dbraw/zinc/09/84/33/379098433.db2.gz OMWYADPGNBPNQL-NHYWBVRUSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000639178758 379098441 /nfs/dbraw/zinc/09/84/41/379098441.db2.gz OMWYADPGNBPNQL-NHYWBVRUSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000639178758 379098446 /nfs/dbraw/zinc/09/84/46/379098446.db2.gz OMWYADPGNBPNQL-NHYWBVRUSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1scc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000639178758 379098455 /nfs/dbraw/zinc/09/84/55/379098455.db2.gz OMWYADPGNBPNQL-NHYWBVRUSA-N 2 1 266.454 3.137 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H](C)CC1CCOCC1 ZINC000349367919 379254017 /nfs/dbraw/zinc/25/40/17/379254017.db2.gz MQQCEKKSAMMUKE-KRWDZBQOSA-N 2 1 296.499 3.247 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C)c(F)c1 ZINC000349384929 379264051 /nfs/dbraw/zinc/26/40/51/379264051.db2.gz QIKYIOMIKSWSEL-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C)c(F)c1 ZINC000349384929 379264059 /nfs/dbraw/zinc/26/40/59/379264059.db2.gz QIKYIOMIKSWSEL-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(C)c1 ZINC000349403504 379267586 /nfs/dbraw/zinc/26/75/86/379267586.db2.gz BYLHUFPUHOORBZ-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(C)c1 ZINC000349403504 379267593 /nfs/dbraw/zinc/26/75/93/379267593.db2.gz BYLHUFPUHOORBZ-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP CC[C@@H]1C[C@@H](C[N@@H+](CC)CCC[NH+](CC)CC)CCO1 ZINC000349410942 379271301 /nfs/dbraw/zinc/27/13/01/379271301.db2.gz VFWVMDIPJVLOAE-DLBZAZTESA-N 2 1 284.488 3.245 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(Cl)c1 ZINC000349420051 379277061 /nfs/dbraw/zinc/27/70/61/379277061.db2.gz QDLILPVBSLAQTB-UHFFFAOYSA-N 2 1 272.795 3.253 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(Cl)c1 ZINC000349420051 379277072 /nfs/dbraw/zinc/27/70/72/379277072.db2.gz QDLILPVBSLAQTB-UHFFFAOYSA-N 2 1 272.795 3.253 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(C)c1 ZINC000278970137 194234989 /nfs/dbraw/zinc/23/49/89/194234989.db2.gz NNDOWMXXUJGHJN-HOTGVXAUSA-N 2 1 283.419 3.413 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000640015738 379687252 /nfs/dbraw/zinc/68/72/52/379687252.db2.gz MIWWEWYPTXGVFO-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP CC[C@](C)([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000639929781 379652869 /nfs/dbraw/zinc/65/28/69/379652869.db2.gz WVBOLFHWIMPADY-INIZCTEOSA-N 2 1 275.371 3.017 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2)cc1 ZINC000347705290 218328988 /nfs/dbraw/zinc/32/89/88/218328988.db2.gz LPSMMNXMYYJFQN-HOCLYGCPSA-N 2 1 299.418 3.258 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000639986006 379677062 /nfs/dbraw/zinc/67/70/62/379677062.db2.gz HRPHNGPSURCHGZ-UHFFFAOYSA-N 2 1 292.467 3.086 20 0 CGADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377619738 379705611 /nfs/dbraw/zinc/70/56/11/379705611.db2.gz DRYKAWCCBBFJGW-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377619738 379705617 /nfs/dbraw/zinc/70/56/17/379705617.db2.gz DRYKAWCCBBFJGW-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377619738 379705624 /nfs/dbraw/zinc/70/56/24/379705624.db2.gz DRYKAWCCBBFJGW-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280810887 379795979 /nfs/dbraw/zinc/79/59/79/379795979.db2.gz JEPAZPFWVGJRHV-GOSISDBHSA-N 2 1 298.434 3.498 20 0 CGADMP CCc1cnc(C[N@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000352541080 379848545 /nfs/dbraw/zinc/84/85/45/379848545.db2.gz TXXJDWLHFPBSLD-UHFFFAOYSA-N 2 1 281.469 3.047 20 0 CGADMP CCc1cnc(C[N@@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000352541080 379848553 /nfs/dbraw/zinc/84/85/53/379848553.db2.gz TXXJDWLHFPBSLD-UHFFFAOYSA-N 2 1 281.469 3.047 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CCCC1 ZINC000282104084 379852682 /nfs/dbraw/zinc/85/26/82/379852682.db2.gz ZOMLMYRDXVNACE-AWEZNQCLSA-N 2 1 297.446 3.099 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1C ZINC000352713247 379919241 /nfs/dbraw/zinc/91/92/41/379919241.db2.gz RKSPAFVYIHNULU-RDBSUJKOSA-N 2 1 295.496 3.367 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000389583716 379900658 /nfs/dbraw/zinc/90/06/58/379900658.db2.gz MLWUWKQXMPUTAB-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000279024649 194254159 /nfs/dbraw/zinc/25/41/59/194254159.db2.gz VGBOSHLTTRNCDR-YJBOKZPZSA-N 2 1 283.419 3.432 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(SC)s2)C1 ZINC000352792657 379964202 /nfs/dbraw/zinc/96/42/02/379964202.db2.gz BUZKCWYQAPEWAP-GFCCVEGCSA-N 2 1 284.494 3.292 20 0 CGADMP C[C@H]1C[C@H](Nc2cc(C(C)(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000641397739 379996779 /nfs/dbraw/zinc/99/67/79/379996779.db2.gz ZRCCGFMNURRIAE-GXTWGEPZSA-N 2 1 261.413 3.274 20 0 CGADMP C[C@H]1C[C@H](Nc2cc(C(C)(C)C)cc[nH+]2)CC[N@H+]1C ZINC000641397739 379996783 /nfs/dbraw/zinc/99/67/83/379996783.db2.gz ZRCCGFMNURRIAE-GXTWGEPZSA-N 2 1 261.413 3.274 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cnccc2C)C[C@H]1C ZINC000347871909 218385487 /nfs/dbraw/zinc/38/54/87/218385487.db2.gz TUOOCDNSJAECJS-AEFFLSMTSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cnccc2C)C[C@H]1C ZINC000347871909 218385490 /nfs/dbraw/zinc/38/54/90/218385490.db2.gz TUOOCDNSJAECJS-AEFFLSMTSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cnccc2C)C[C@H]1C ZINC000347871909 218385491 /nfs/dbraw/zinc/38/54/91/218385491.db2.gz TUOOCDNSJAECJS-AEFFLSMTSA-N 2 1 289.467 3.127 20 0 CGADMP C[C@H]([NH2+][C@H]1CC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347891275 218392204 /nfs/dbraw/zinc/39/22/04/218392204.db2.gz BKSWWPHGXHCZAN-UAGQMJEPSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921423 380039553 /nfs/dbraw/zinc/03/95/53/380039553.db2.gz IJRNTEUDBFLPGS-HVVXOQGOSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@H]1CCCC[C@H]1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921423 380039557 /nfs/dbraw/zinc/03/95/57/380039557.db2.gz IJRNTEUDBFLPGS-HVVXOQGOSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@H]1CCCC[C@H]1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921423 380039564 /nfs/dbraw/zinc/03/95/64/380039564.db2.gz IJRNTEUDBFLPGS-HVVXOQGOSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@H]([NH2+]CCc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347913620 218397605 /nfs/dbraw/zinc/39/76/05/218397605.db2.gz APBKEVKQVPBPQT-WMZOPIPTSA-N 2 1 298.430 3.322 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000353157289 380144952 /nfs/dbraw/zinc/14/49/52/380144952.db2.gz VAJYFJDJKMJGCD-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000353157289 380144958 /nfs/dbraw/zinc/14/49/58/380144958.db2.gz VAJYFJDJKMJGCD-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000353157289 380144962 /nfs/dbraw/zinc/14/49/62/380144962.db2.gz VAJYFJDJKMJGCD-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000410394592 380092280 /nfs/dbraw/zinc/09/22/80/380092280.db2.gz BZRHLLZNBJZJSH-CVEARBPZSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000410394592 380092289 /nfs/dbraw/zinc/09/22/89/380092289.db2.gz BZRHLLZNBJZJSH-CVEARBPZSA-N 2 1 254.462 3.332 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000641799654 380111548 /nfs/dbraw/zinc/11/15/48/380111548.db2.gz OPNYRJFMMPDALK-XJKSGUPXSA-N 2 1 299.418 3.067 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414189051 380200220 /nfs/dbraw/zinc/20/02/20/380200220.db2.gz QXQSNXZAQCJIJI-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000414200957 380202430 /nfs/dbraw/zinc/20/24/30/380202430.db2.gz XXYVIPRJLMMINX-WBVHZDCISA-N 2 1 288.435 3.222 20 0 CGADMP C(C[N@@H+](C1CC1)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643056792 380208632 /nfs/dbraw/zinc/20/86/32/380208632.db2.gz JKWYQWOIEJIUSA-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C)C[C@@H]1C ZINC000353769282 380222260 /nfs/dbraw/zinc/22/22/60/380222260.db2.gz RBWRAUILTIYKQT-RDJZCZTQSA-N 2 1 289.467 3.057 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C)C[C@@H]1C ZINC000353769282 380222266 /nfs/dbraw/zinc/22/22/66/380222266.db2.gz RBWRAUILTIYKQT-RDJZCZTQSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N(C)C)C[C@@H]1C ZINC000353769282 380222272 /nfs/dbraw/zinc/22/22/72/380222272.db2.gz RBWRAUILTIYKQT-RDJZCZTQSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N(C)C)C[C@@H]1C ZINC000353769282 380222274 /nfs/dbraw/zinc/22/22/74/380222274.db2.gz RBWRAUILTIYKQT-RDJZCZTQSA-N 2 1 289.467 3.057 20 0 CGADMP CC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)CC(F)(F)F ZINC000414513490 380288242 /nfs/dbraw/zinc/28/82/42/380288242.db2.gz GFGIKEIZGZYYLJ-NSHDSACASA-N 2 1 289.345 3.216 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3cnccc3c2)C[C@@H]1C[NH3+] ZINC000643427671 380305033 /nfs/dbraw/zinc/30/50/33/380305033.db2.gz VFMAQCGAHWAKDQ-LBTNJELSSA-N 2 1 283.419 3.040 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205272 380363622 /nfs/dbraw/zinc/36/36/22/380363622.db2.gz HTCVQNCREUJFAE-IRXDYDNUSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205272 380363629 /nfs/dbraw/zinc/36/36/29/380363629.db2.gz HTCVQNCREUJFAE-IRXDYDNUSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205272 380363634 /nfs/dbraw/zinc/36/36/34/380363634.db2.gz HTCVQNCREUJFAE-IRXDYDNUSA-N 2 1 290.451 3.260 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414672266 380364246 /nfs/dbraw/zinc/36/42/46/380364246.db2.gz AQADABKHLYYQOB-SOUVJXGZSA-N 2 1 276.424 3.076 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414693216 380376584 /nfs/dbraw/zinc/37/65/84/380376584.db2.gz LMCGIRLXFSODDN-VHRBIJSZSA-N 2 1 281.469 3.141 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](CCc2cccc(F)c2)C2CC2)CC[NH2+]1 ZINC000414696352 380378010 /nfs/dbraw/zinc/37/80/10/380378010.db2.gz HIQXFLUBYBVBDK-GDBMZVCRSA-N 2 1 290.426 3.221 20 0 CGADMP CC[N@@H+](CCc1cccs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414698865 380380136 /nfs/dbraw/zinc/38/01/36/380380136.db2.gz IENCMNYXPWALFO-KBPBESRZSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CCC[NH3+])C1CC1 ZINC000414701715 380380183 /nfs/dbraw/zinc/38/01/83/380380183.db2.gz KPUUUZNRJMFUCH-NSHDSACASA-N 2 1 252.789 3.214 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414708128 380383222 /nfs/dbraw/zinc/38/32/22/380383222.db2.gz OUOKBFXCJVUKNB-WBVHZDCISA-N 2 1 290.451 3.294 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+](Cc2ccc(F)cc2)CC2CC2)CC[NH2+]1 ZINC000414712328 380383269 /nfs/dbraw/zinc/38/32/69/380383269.db2.gz TYIXJQVJXZALND-PBHICJAKSA-N 2 1 290.426 3.426 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000643528953 380345524 /nfs/dbraw/zinc/34/55/24/380345524.db2.gz RSKCXTWQBZNSQH-BXUZGUMPSA-N 2 1 254.805 3.364 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000643529079 380346672 /nfs/dbraw/zinc/34/66/72/380346672.db2.gz ULKHSGAZLNRTNO-WCQYABFASA-N 2 1 287.432 3.124 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000414670332 380361858 /nfs/dbraw/zinc/36/18/58/380361858.db2.gz MCFUAQRVRCVIOH-SJORKVTESA-N 2 1 275.440 3.372 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000414670332 380361862 /nfs/dbraw/zinc/36/18/62/380361862.db2.gz MCFUAQRVRCVIOH-SJORKVTESA-N 2 1 275.440 3.372 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414814496 380426217 /nfs/dbraw/zinc/42/62/17/380426217.db2.gz NXCNQWXNXBVPGO-GOSISDBHSA-N 2 1 283.419 3.356 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414816766 380427338 /nfs/dbraw/zinc/42/73/38/380427338.db2.gz QLTZVNFVWHREEV-CZUORRHYSA-N 2 1 266.404 3.254 20 0 CGADMP CC[NH2+]CC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000414819940 380430954 /nfs/dbraw/zinc/43/09/54/380430954.db2.gz BDQFLHMISKEVCN-UHFFFAOYSA-N 2 1 282.431 3.040 20 0 CGADMP Fc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)o1 ZINC000414826776 380435943 /nfs/dbraw/zinc/43/59/43/380435943.db2.gz JNDMTLOKQFBNDG-ZDUSSCGKSA-N 2 1 288.366 3.175 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414855060 380457689 /nfs/dbraw/zinc/45/76/89/380457689.db2.gz VWBVULDBNGVERP-SWLSCSKDSA-N 2 1 268.832 3.407 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000414834689 380442089 /nfs/dbraw/zinc/44/20/89/380442089.db2.gz GWHKJZWVWWNKGV-HNNXBMFYSA-N 2 1 298.377 3.285 20 0 CGADMP Clc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1Cl ZINC000414837093 380444532 /nfs/dbraw/zinc/44/45/32/380444532.db2.gz VNQDGHREQPQZFB-JTQLQIEISA-N 2 1 273.207 3.083 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccccc1)C1CCCCC1 ZINC000414854424 380455405 /nfs/dbraw/zinc/45/54/05/380455405.db2.gz VACYIFUZQLXSHP-CGQZWFTASA-N 2 1 258.409 3.197 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Cl)c1 ZINC000414772925 380399248 /nfs/dbraw/zinc/39/92/48/380399248.db2.gz VTMNNBHVAMLXAS-BMFZPTHFSA-N 2 1 292.854 3.375 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414772661 380399423 /nfs/dbraw/zinc/39/94/23/380399423.db2.gz CIXZWQCOZSNFRS-MSOLQXFVSA-N 2 1 272.436 3.071 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414777227 380401194 /nfs/dbraw/zinc/40/11/94/380401194.db2.gz HUHRVXMODWJULU-CHWSQXEVSA-N 2 1 296.817 3.301 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCCc1ccc(C)nc1 ZINC000354330442 380403366 /nfs/dbraw/zinc/40/33/66/380403366.db2.gz OKBFLZGUCBARCM-SFHVURJKSA-N 2 1 289.467 3.177 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCCc1ccc(C)nc1 ZINC000354330442 380403373 /nfs/dbraw/zinc/40/33/73/380403373.db2.gz OKBFLZGUCBARCM-SFHVURJKSA-N 2 1 289.467 3.177 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781918 380403398 /nfs/dbraw/zinc/40/33/98/380403398.db2.gz NSWWPCSHGJWUEW-MOPGFXCFSA-N 2 1 284.447 3.386 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414854779 380455817 /nfs/dbraw/zinc/45/58/17/380455817.db2.gz VLXNEMAEWQVRGV-IRXDYDNUSA-N 2 1 262.441 3.279 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414787621 380404984 /nfs/dbraw/zinc/40/49/84/380404984.db2.gz VQQALLWAOBWSOE-KBPBESRZSA-N 2 1 293.480 3.088 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000414790332 380406654 /nfs/dbraw/zinc/40/66/54/380406654.db2.gz ZPVRXWUDQVDQAY-SJLPKXTDSA-N 2 1 272.436 3.125 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414801680 380414241 /nfs/dbraw/zinc/41/42/41/380414241.db2.gz JPOSUYVXCQNXRF-UHFFFAOYSA-N 2 1 278.396 3.381 20 0 CGADMP CC1([NH2+]Cc2cnc(-c3cccs3)s2)CC[NH2+]CC1 ZINC000414930838 380493411 /nfs/dbraw/zinc/49/34/11/380493411.db2.gz BCAXAJSNTDMZEA-UHFFFAOYSA-N 2 1 293.461 3.103 20 0 CGADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H](C)C[NH3+] ZINC000414934975 380495582 /nfs/dbraw/zinc/49/55/82/380495582.db2.gz VRLQHWVGEXZSIL-BXUZGUMPSA-N 2 1 299.256 3.097 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000415070467 380507863 /nfs/dbraw/zinc/50/78/63/380507863.db2.gz VCMWXSOCFBPAEN-BPCQOVAHSA-N 2 1 278.362 3.215 20 0 CGADMP C[C@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414859890 380459706 /nfs/dbraw/zinc/45/97/06/380459706.db2.gz UXDACAQTVXZMJS-WDEREUQCSA-N 2 1 287.234 3.471 20 0 CGADMP Clc1cccc(Cl)c1CCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000414869533 380467313 /nfs/dbraw/zinc/46/73/13/380467313.db2.gz QZNTWMPUPMEKBM-NSHDSACASA-N 2 1 287.234 3.268 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000414874815 380470432 /nfs/dbraw/zinc/47/04/32/380470432.db2.gz ZJWWMSPBJYCGCV-HPBDAGMYSA-N 2 1 272.436 3.300 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+]CC2([NH3+])CCC2)s1 ZINC000414880851 380472245 /nfs/dbraw/zinc/47/22/45/380472245.db2.gz KHPQGLSRUZZZFE-UHFFFAOYSA-N 2 1 252.427 3.017 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414893379 380475790 /nfs/dbraw/zinc/47/57/90/380475790.db2.gz KFUOBUHSIJUMRJ-LJQANCHMSA-N 2 1 280.415 3.489 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)C1CC1 ZINC000414892356 380475927 /nfs/dbraw/zinc/47/59/27/380475927.db2.gz JATNXBDXWYLMTB-HNNXBMFYSA-N 2 1 290.407 3.381 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414893378 380476237 /nfs/dbraw/zinc/47/62/37/380476237.db2.gz KFUOBUHSIJUMRJ-IBGZPJMESA-N 2 1 280.415 3.489 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417320643 380591552 /nfs/dbraw/zinc/59/15/52/380591552.db2.gz KGBHGOXJXYATTB-AEGPPILISA-N 2 1 289.448 3.425 20 0 CGADMP COc1ccc(CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000355347804 380652234 /nfs/dbraw/zinc/65/22/34/380652234.db2.gz XZYLXBHNGMCLCU-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccc(CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000355347804 380652237 /nfs/dbraw/zinc/65/22/37/380652237.db2.gz XZYLXBHNGMCLCU-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccc(CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000355347804 380652240 /nfs/dbraw/zinc/65/22/40/380652240.db2.gz XZYLXBHNGMCLCU-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)CCc2c(F)cccc2F)CC1 ZINC000645811842 380739210 /nfs/dbraw/zinc/73/92/10/380739210.db2.gz QKYZTKGFCVTIGK-UHFFFAOYSA-N 2 1 296.405 3.314 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2c(F)cccc2F)CC1 ZINC000645811842 380739214 /nfs/dbraw/zinc/73/92/14/380739214.db2.gz QKYZTKGFCVTIGK-UHFFFAOYSA-N 2 1 296.405 3.314 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000646021863 380802284 /nfs/dbraw/zinc/80/22/84/380802284.db2.gz FSGFYTLISYULMS-UHFFFAOYSA-N 2 1 269.392 3.169 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1csc(C)c1 ZINC000646127551 380845637 /nfs/dbraw/zinc/84/56/37/380845637.db2.gz NOWVPVZWBYWWEE-AWEZNQCLSA-N 2 1 263.410 3.073 20 0 CGADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314572 380847177 /nfs/dbraw/zinc/84/71/77/380847177.db2.gz ZACPKQIJGZTSOP-GDBMZVCRSA-N 2 1 278.440 3.106 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420313915 380848360 /nfs/dbraw/zinc/84/83/60/380848360.db2.gz KJDVCKROQAGLOH-RLCCDNCMSA-N 2 1 276.811 3.011 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420313915 380848367 /nfs/dbraw/zinc/84/83/67/380848367.db2.gz KJDVCKROQAGLOH-RLCCDNCMSA-N 2 1 276.811 3.011 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000356835176 380891353 /nfs/dbraw/zinc/89/13/53/380891353.db2.gz CHIXCNADVMXZQS-UKRRQHHQSA-N 2 1 294.414 3.359 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000356835176 380891355 /nfs/dbraw/zinc/89/13/55/380891355.db2.gz CHIXCNADVMXZQS-UKRRQHHQSA-N 2 1 294.414 3.359 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000356866130 380909263 /nfs/dbraw/zinc/90/92/63/380909263.db2.gz LTFISUZUYLJKGG-GJZGRUSLSA-N 2 1 275.440 3.027 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)CC1 ZINC000421405393 380957429 /nfs/dbraw/zinc/95/74/29/380957429.db2.gz YTJTZDNIXOCQML-SFHVURJKSA-N 2 1 272.436 3.480 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000356980282 380969646 /nfs/dbraw/zinc/96/96/46/380969646.db2.gz PLLWBTIIODDKOQ-HNNXBMFYSA-N 2 1 293.455 3.488 20 0 CGADMP C[C@@H]1CC[C@]2(CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000359556581 381352512 /nfs/dbraw/zinc/35/25/12/381352512.db2.gz MGCZXGMGSHRSQR-IKGGRYGDSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[C@]2(CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000359556581 381352517 /nfs/dbraw/zinc/35/25/17/381352517.db2.gz MGCZXGMGSHRSQR-IKGGRYGDSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[C@]2(CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000359556581 381352523 /nfs/dbraw/zinc/35/25/23/381352523.db2.gz MGCZXGMGSHRSQR-IKGGRYGDSA-N 2 1 264.457 3.373 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000334842022 207169302 /nfs/dbraw/zinc/16/93/02/207169302.db2.gz IUDDYDPVNZMAAC-HNNXBMFYSA-N 2 1 276.355 3.050 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000360496941 381561923 /nfs/dbraw/zinc/56/19/23/381561923.db2.gz WADNTICOMCHXSG-GFCCVEGCSA-N 2 1 293.480 3.427 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000361907675 381875737 /nfs/dbraw/zinc/87/57/37/381875737.db2.gz YSRHRGNNZSSLPK-SJORKVTESA-N 2 1 283.419 3.363 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc2ncsc2c1 ZINC000362572327 382062622 /nfs/dbraw/zinc/06/26/22/382062622.db2.gz GZXPAKOCDSVBTM-OCCSQVGLSA-N 2 1 289.448 3.431 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000236001378 542313814 /nfs/dbraw/zinc/31/38/14/542313814.db2.gz CRIPXJMTEMSDJL-JGGQBBKZSA-N 2 1 278.827 3.208 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCn1ccnc1 ZINC000366888302 382323479 /nfs/dbraw/zinc/32/34/79/382323479.db2.gz USCNDQLXOMYMSL-DOTOQJQBSA-N 2 1 269.392 3.151 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000369222818 382386788 /nfs/dbraw/zinc/38/67/88/382386788.db2.gz BVYPGKFKZDZPBI-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000249017562 542338425 /nfs/dbraw/zinc/33/84/25/542338425.db2.gz JOCIPKPABYIMQM-QANKJYHBSA-N 2 1 299.418 3.399 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@H]1[NH3+] ZINC000251609547 542346814 /nfs/dbraw/zinc/34/68/14/542346814.db2.gz DNFFFDHTWQVQQH-SWLSCSKDSA-N 2 1 274.433 3.461 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2cc(C)cc(C)c2)CC[C@H]1[NH3+] ZINC000251526911 542346834 /nfs/dbraw/zinc/34/68/34/542346834.db2.gz AENITTUPISQXLI-FUHWJXTLSA-N 2 1 290.451 3.132 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000250595556 542343544 /nfs/dbraw/zinc/34/35/44/542343544.db2.gz IQHURDRSFVZSAO-WFASDCNBSA-N 2 1 294.439 3.294 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000250595556 542343549 /nfs/dbraw/zinc/34/35/49/542343549.db2.gz IQHURDRSFVZSAO-WFASDCNBSA-N 2 1 294.439 3.294 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418316 542350164 /nfs/dbraw/zinc/35/01/64/542350164.db2.gz VEYINDIBUCEWJN-NVXWUHKLSA-N 2 1 284.403 3.397 20 0 CGADMP COCC[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352839165 285012052 /nfs/dbraw/zinc/01/20/52/285012052.db2.gz IGUREAKBZHDKQU-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423570052 533057344 /nfs/dbraw/zinc/05/73/44/533057344.db2.gz WSSNDMYLKJYHLP-GFCCVEGCSA-N 2 1 264.438 3.201 20 0 CGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(C)C)cc1 ZINC000423324888 533146775 /nfs/dbraw/zinc/14/67/75/533146775.db2.gz IKGIGRIILNZBAZ-WBAXXEDZSA-N 2 1 290.451 3.165 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)CC[C@H]1[NH3+] ZINC000300247863 542411865 /nfs/dbraw/zinc/41/18/65/542411865.db2.gz GFJSIBZNCSXNST-IUODEOHRSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)CC[C@H]1[NH3+] ZINC000300247863 542411867 /nfs/dbraw/zinc/41/18/67/542411867.db2.gz GFJSIBZNCSXNST-IUODEOHRSA-N 2 1 266.816 3.208 20 0 CGADMP Clc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066543 542485612 /nfs/dbraw/zinc/48/56/12/542485612.db2.gz FUTTZHYREVBKNA-CABCVRRESA-N 2 1 278.827 3.099 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337336278 542480247 /nfs/dbraw/zinc/48/02/47/542480247.db2.gz LZRBOMKRJUWLON-BQFCYCMXSA-N 2 1 289.467 3.428 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423326387 533425289 /nfs/dbraw/zinc/42/52/89/533425289.db2.gz KLGQEOOQKOOUPL-ABAIWWIYSA-N 2 1 268.351 3.005 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414742280 533665172 /nfs/dbraw/zinc/66/51/72/533665172.db2.gz FZOFUSIYSZWDJS-CVEARBPZSA-N 2 1 260.425 3.123 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CS1 ZINC000414238178 542634308 /nfs/dbraw/zinc/63/43/08/542634308.db2.gz XEYFESWHXBRKEY-IWCQGFGOSA-N 2 1 290.476 3.306 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CS1 ZINC000414238178 542634311 /nfs/dbraw/zinc/63/43/11/542634311.db2.gz XEYFESWHXBRKEY-IWCQGFGOSA-N 2 1 290.476 3.306 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000414921395 542639642 /nfs/dbraw/zinc/63/96/42/542639642.db2.gz FMGYVKWMDLIWBT-GHMZBOCLSA-N 2 1 293.461 3.231 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649322 391982957 /nfs/dbraw/zinc/98/29/57/391982957.db2.gz JKIIKXASMVTAQT-LSDHHAIUSA-N 2 1 258.409 3.130 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713811 392056605 /nfs/dbraw/zinc/05/66/05/392056605.db2.gz IHIXETOVECPGDM-SUNKGSAMSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713811 392056608 /nfs/dbraw/zinc/05/66/08/392056608.db2.gz IHIXETOVECPGDM-SUNKGSAMSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCCCC1 ZINC000071376964 392190021 /nfs/dbraw/zinc/19/00/21/392190021.db2.gz PXJGBSVCCFALOT-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCCCC1 ZINC000071376964 392190025 /nfs/dbraw/zinc/19/00/25/392190025.db2.gz PXJGBSVCCFALOT-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000090972686 392229736 /nfs/dbraw/zinc/22/97/36/392229736.db2.gz ICQMBGSSRMWXLY-RVKKMQEKSA-N 2 1 286.463 3.110 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)oc1C ZINC000281963440 392264097 /nfs/dbraw/zinc/26/40/97/392264097.db2.gz BCBMXKNEFYTQCC-JSGCOSHPSA-N 2 1 262.397 3.031 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)oc1C ZINC000281963440 392264104 /nfs/dbraw/zinc/26/41/04/392264104.db2.gz BCBMXKNEFYTQCC-JSGCOSHPSA-N 2 1 262.397 3.031 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC2(C)CCC2)C1 ZINC000434764433 542655783 /nfs/dbraw/zinc/65/57/83/542655783.db2.gz OHBJZMIUJLVGLF-GASCZTMLSA-N 2 1 252.446 3.134 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015768 131119278 /nfs/dbraw/zinc/11/92/78/131119278.db2.gz POLOAIHAZJRPTP-WMLDXEAASA-N 2 1 278.415 3.030 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015768 131119280 /nfs/dbraw/zinc/11/92/80/131119280.db2.gz POLOAIHAZJRPTP-WMLDXEAASA-N 2 1 278.415 3.030 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015768 131119282 /nfs/dbraw/zinc/11/92/82/131119282.db2.gz POLOAIHAZJRPTP-WMLDXEAASA-N 2 1 278.415 3.030 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674870 131136210 /nfs/dbraw/zinc/13/62/10/131136210.db2.gz UZOWCGVAFVXFBE-SJORKVTESA-N 2 1 288.435 3.190 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CC)CCC2)[C@H](C)C1 ZINC000361927988 392366462 /nfs/dbraw/zinc/36/64/62/392366462.db2.gz UNMQDKYXLIWEHX-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP Cc1nccn1CCCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000161765029 392586506 /nfs/dbraw/zinc/58/65/06/392586506.db2.gz JORBISRTNPQSHM-CQSZACIVSA-N 2 1 287.407 3.370 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000161765029 392586513 /nfs/dbraw/zinc/58/65/13/392586513.db2.gz JORBISRTNPQSHM-CQSZACIVSA-N 2 1 287.407 3.370 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000161765029 392586518 /nfs/dbraw/zinc/58/65/18/392586518.db2.gz JORBISRTNPQSHM-CQSZACIVSA-N 2 1 287.407 3.370 20 0 CGADMP Cc1nccn1CCCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000162179935 392593044 /nfs/dbraw/zinc/59/30/44/392593044.db2.gz BYVDZRCUCABMIX-IYBDPMFKSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000162179935 392593048 /nfs/dbraw/zinc/59/30/48/392593048.db2.gz BYVDZRCUCABMIX-IYBDPMFKSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000162179935 392593054 /nfs/dbraw/zinc/59/30/54/392593054.db2.gz BYVDZRCUCABMIX-IYBDPMFKSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162266725 392594377 /nfs/dbraw/zinc/59/43/77/392594377.db2.gz ZZQNPGKYBOEHQL-UHFFFAOYSA-N 2 1 293.455 3.251 20 0 CGADMP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000301712303 392597087 /nfs/dbraw/zinc/59/70/87/392597087.db2.gz LEFULFYKDNENOB-YJBOKZPZSA-N 2 1 295.430 3.464 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000177944653 392668920 /nfs/dbraw/zinc/66/89/20/392668920.db2.gz SVLPJDIABDGMNU-RDTXWAMCSA-N 2 1 284.447 3.483 20 0 CGADMP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480322 392734929 /nfs/dbraw/zinc/73/49/29/392734929.db2.gz JRHSKLAQZJZHGM-FXNRXUADSA-N 2 1 288.410 3.303 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480322 392734933 /nfs/dbraw/zinc/73/49/33/392734933.db2.gz JRHSKLAQZJZHGM-FXNRXUADSA-N 2 1 288.410 3.303 20 0 CGADMP FC(F)(F)c1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482877 392736434 /nfs/dbraw/zinc/73/64/34/392736434.db2.gz FISYOWCGHSYMKJ-UHFFFAOYSA-N 2 1 298.352 3.422 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482604 392736452 /nfs/dbraw/zinc/73/64/52/392736452.db2.gz SGQDFADJLURSSM-INIZCTEOSA-N 2 1 286.463 3.472 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]CC1([NH3+])CCCCC1)CCC2 ZINC000331889708 392697466 /nfs/dbraw/zinc/69/74/66/392697466.db2.gz WABCKAFSMZDPDB-GFCCVEGCSA-N 2 1 293.480 3.334 20 0 CGADMP CC[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647936812 392837889 /nfs/dbraw/zinc/83/78/89/392837889.db2.gz LSKSJRHKVSAMNO-CRAIPNDOSA-N 2 1 298.430 3.278 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000487278888 542710883 /nfs/dbraw/zinc/71/08/83/542710883.db2.gz UQWBZHMKHIBCNA-CYBMUJFWSA-N 2 1 293.480 3.231 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000487278888 542710887 /nfs/dbraw/zinc/71/08/87/542710887.db2.gz UQWBZHMKHIBCNA-CYBMUJFWSA-N 2 1 293.480 3.231 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC000647708338 392786812 /nfs/dbraw/zinc/78/68/12/392786812.db2.gz IRUZYNNPOCAZDT-ZFWWWQNUSA-N 2 1 269.392 3.473 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000647708407 392787319 /nfs/dbraw/zinc/78/73/19/392787319.db2.gz KYZUKVTVHFGGBF-SFHVURJKSA-N 2 1 281.403 3.123 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000375508148 392787899 /nfs/dbraw/zinc/78/78/99/392787899.db2.gz IPSNOQGPXKTRMV-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CCCC1 ZINC000510660621 392808658 /nfs/dbraw/zinc/80/86/58/392808658.db2.gz DYEPQIGPSCJSSP-LSDHHAIUSA-N 2 1 270.436 3.369 20 0 CGADMP c1cc2c(cc[nH+]c2N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000647847754 392813653 /nfs/dbraw/zinc/81/36/53/392813653.db2.gz OMWLTCUXBOGMHX-OAHLLOKOSA-N 2 1 292.386 3.249 20 0 CGADMP C[N@@H+](CCC[NH3+])CCCc1cccc2ccccc21 ZINC000647848070 392813729 /nfs/dbraw/zinc/81/37/29/392813729.db2.gz BRCDPJZZCHNCLR-UHFFFAOYSA-N 2 1 256.393 3.053 20 0 CGADMP COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647873533 392819146 /nfs/dbraw/zinc/81/91/46/392819146.db2.gz WPALZODPWWAILF-YJBOKZPZSA-N 2 1 288.435 3.222 20 0 CGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647881001 392823208 /nfs/dbraw/zinc/82/32/08/392823208.db2.gz PZKWMVBTUWUGRK-RDJZCZTQSA-N 2 1 258.409 3.213 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647881138 392823224 /nfs/dbraw/zinc/82/32/24/392823224.db2.gz DMJWXGPQJHGQIK-LBPRGKRZSA-N 2 1 287.234 3.425 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)C1CCC(F)(F)CC1 ZINC000336002957 392827837 /nfs/dbraw/zinc/82/78/37/392827837.db2.gz KIRBQRNVUTXXEP-JQWIXIFHSA-N 2 1 283.366 3.071 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904155 392829073 /nfs/dbraw/zinc/82/90/73/392829073.db2.gz XWCLZEKQIWGDLH-MOPGFXCFSA-N 2 1 286.463 3.392 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647904134 392829173 /nfs/dbraw/zinc/82/91/73/392829173.db2.gz XKYJDTZFFDLKBA-QZTJIDSGSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900387 392829469 /nfs/dbraw/zinc/82/94/69/392829469.db2.gz AHYNFQFJCULXKE-XDNAFOTISA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](CCOc1cc(C)cc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000647912903 392832965 /nfs/dbraw/zinc/83/29/65/392832965.db2.gz AOEZBTLMPUOJQK-KRWDZBQOSA-N 2 1 290.451 3.146 20 0 CGADMP CCC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000519756582 392890686 /nfs/dbraw/zinc/89/06/86/392890686.db2.gz DDOLEZMTSPCHHR-QGZVFWFLSA-N 2 1 271.408 3.484 20 0 CGADMP CO[C@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000338545827 392919705 /nfs/dbraw/zinc/91/97/05/392919705.db2.gz HYVDWRHDAYABQZ-QZTJIDSGSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000338545827 392919715 /nfs/dbraw/zinc/91/97/15/392919715.db2.gz HYVDWRHDAYABQZ-QZTJIDSGSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000338545827 392919724 /nfs/dbraw/zinc/91/97/24/392919724.db2.gz HYVDWRHDAYABQZ-QZTJIDSGSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000338545827 392919728 /nfs/dbraw/zinc/91/97/28/392919728.db2.gz HYVDWRHDAYABQZ-QZTJIDSGSA-N 2 1 290.451 3.180 20 0 CGADMP CC[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1[NH3+] ZINC000381011761 392905728 /nfs/dbraw/zinc/90/57/28/392905728.db2.gz MBQIWYOSDHFNNQ-LSDHHAIUSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CC1CCCCC1 ZINC000647961386 392847763 /nfs/dbraw/zinc/84/77/63/392847763.db2.gz FPVQGXOBPZXJJG-QZTJIDSGSA-N 2 1 296.499 3.122 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000647961386 392847767 /nfs/dbraw/zinc/84/77/67/392847767.db2.gz FPVQGXOBPZXJJG-QZTJIDSGSA-N 2 1 296.499 3.122 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000647961386 392847772 /nfs/dbraw/zinc/84/77/72/392847772.db2.gz FPVQGXOBPZXJJG-QZTJIDSGSA-N 2 1 296.499 3.122 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000512325262 392850570 /nfs/dbraw/zinc/85/05/70/392850570.db2.gz VFXXQUBBALMKFW-UNEWFSDZSA-N 2 1 264.457 3.418 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647978424 392855497 /nfs/dbraw/zinc/85/54/97/392855497.db2.gz RQEFYHJEFOSINO-DLBZAZTESA-N 2 1 292.492 3.392 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647978426 392855613 /nfs/dbraw/zinc/85/56/13/392855613.db2.gz RQEFYHJEFOSINO-IRXDYDNUSA-N 2 1 292.492 3.392 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647990052 392858334 /nfs/dbraw/zinc/85/83/34/392858334.db2.gz XZJYYEZRHPTHLA-QWHCGFSZSA-N 2 1 281.469 3.177 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647990052 392858337 /nfs/dbraw/zinc/85/83/37/392858337.db2.gz XZJYYEZRHPTHLA-QWHCGFSZSA-N 2 1 281.469 3.177 20 0 CGADMP CC(C)C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000647990862 392858825 /nfs/dbraw/zinc/85/88/25/392858825.db2.gz ORJVOOOLTGNJQH-NVXWUHKLSA-N 2 1 287.451 3.027 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000647990734 392859135 /nfs/dbraw/zinc/85/91/35/392859135.db2.gz ABCCSJIKNDOZPR-GOSISDBHSA-N 2 1 294.483 3.047 20 0 CGADMP C[NH+](C[C@@H]1CCC2(CCCCC2)O1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336845089 392872104 /nfs/dbraw/zinc/87/21/04/392872104.db2.gz PWMJSOXHBBUTAI-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C[C@@H]1CCC2(CCCCC2)O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336845089 392872109 /nfs/dbraw/zinc/87/21/09/392872109.db2.gz PWMJSOXHBBUTAI-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[N@@H+]1C[C@H]2CN(Cc3cc(-c4ccccc4)cs3)C[C@H]2C1 ZINC000194541867 392927020 /nfs/dbraw/zinc/92/70/20/392927020.db2.gz HFSBZTJBYGRKHL-CALCHBBNSA-N 2 1 298.455 3.409 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC000194541867 392927040 /nfs/dbraw/zinc/92/70/40/392927040.db2.gz HFSBZTJBYGRKHL-CALCHBBNSA-N 2 1 298.455 3.409 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC000194541867 392927048 /nfs/dbraw/zinc/92/70/48/392927048.db2.gz HFSBZTJBYGRKHL-CALCHBBNSA-N 2 1 298.455 3.409 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000525864012 392949969 /nfs/dbraw/zinc/94/99/69/392949969.db2.gz BALOZWDBWSFCKA-LSDHHAIUSA-N 2 1 278.415 3.251 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCCOC(F)F)C[C@@H]1c1ccccc1 ZINC000340385606 392972440 /nfs/dbraw/zinc/97/24/40/392972440.db2.gz XCYLGDMRDTZUJA-LSDHHAIUSA-N 2 1 298.377 3.041 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)C[C@@H]1c1ccccc1 ZINC000340385606 392972446 /nfs/dbraw/zinc/97/24/46/392972446.db2.gz XCYLGDMRDTZUJA-LSDHHAIUSA-N 2 1 298.377 3.041 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC2CCC2)C[C@H]1c1ccccc1 ZINC000340194625 392967835 /nfs/dbraw/zinc/96/78/35/392967835.db2.gz AEAOTNXWQGHWNL-IRXDYDNUSA-N 2 1 258.409 3.212 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC2)C[C@H]1c1ccccc1 ZINC000340194625 392967841 /nfs/dbraw/zinc/96/78/41/392967841.db2.gz AEAOTNXWQGHWNL-IRXDYDNUSA-N 2 1 258.409 3.212 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C[C@H]1c1ccccc1 ZINC000340376716 392971550 /nfs/dbraw/zinc/97/15/50/392971550.db2.gz GUQJOOCAGVPSFW-GJZGRUSLSA-N 2 1 294.389 3.457 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C[C@H]1c1ccccc1 ZINC000340376716 392971552 /nfs/dbraw/zinc/97/15/52/392971552.db2.gz GUQJOOCAGVPSFW-GJZGRUSLSA-N 2 1 294.389 3.457 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248134293 393083713 /nfs/dbraw/zinc/08/37/13/393083713.db2.gz OVDKXOBGTUBTIE-UNEWFSDZSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248134293 393083721 /nfs/dbraw/zinc/08/37/21/393083721.db2.gz OVDKXOBGTUBTIE-UNEWFSDZSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248134293 393083727 /nfs/dbraw/zinc/08/37/27/393083727.db2.gz OVDKXOBGTUBTIE-UNEWFSDZSA-N 2 1 276.399 3.303 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Br)cc1)C1CCCC1 ZINC000415040068 393108764 /nfs/dbraw/zinc/10/87/64/393108764.db2.gz JTMSANCAQWSVMP-AWEZNQCLSA-N 2 1 297.240 3.056 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000415011552 393095519 /nfs/dbraw/zinc/09/55/19/393095519.db2.gz QRYBHKIATBRODP-VXGBXAGGSA-N 2 1 260.406 3.240 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@H]3CCC[N@@H+](C)C3)[nH+]c2c1 ZINC000547304699 393102848 /nfs/dbraw/zinc/10/28/48/393102848.db2.gz LWGHANKCSHHOJJ-OAHLLOKOSA-N 2 1 283.419 3.027 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@H]3CCC[N@H+](C)C3)[nH+]c2c1 ZINC000547304699 393102856 /nfs/dbraw/zinc/10/28/56/393102856.db2.gz LWGHANKCSHHOJJ-OAHLLOKOSA-N 2 1 283.419 3.027 20 0 CGADMP C[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000467520121 393103785 /nfs/dbraw/zinc/10/37/85/393103785.db2.gz HJSJGEYKEMYQLC-OAHLLOKOSA-N 2 1 278.415 3.347 20 0 CGADMP CCC1(C)CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000344301464 393041339 /nfs/dbraw/zinc/04/13/39/393041339.db2.gz JHSDNSSIMDBRMX-UHFFFAOYSA-N 2 1 250.430 3.197 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414687916 393051856 /nfs/dbraw/zinc/05/18/56/393051856.db2.gz CSNHTMLGGGQRDR-AJNGGQMLSA-N 2 1 252.446 3.274 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414955571 393063410 /nfs/dbraw/zinc/06/34/10/393063410.db2.gz MBRRMEYHARFIKH-WDEREUQCSA-N 2 1 274.861 3.310 20 0 CGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414954940 393063445 /nfs/dbraw/zinc/06/34/45/393063445.db2.gz SYXSJTVFXTUXSM-GOEBONIOSA-N 2 1 276.424 3.096 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000415050420 393113079 /nfs/dbraw/zinc/11/30/79/393113079.db2.gz CLIOYYSUBCQOEH-INIZCTEOSA-N 2 1 262.441 3.316 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050038 393113177 /nfs/dbraw/zinc/11/31/77/393113177.db2.gz IDBUKTLJVRMQMW-KNXWPPODSA-N 2 1 295.515 3.007 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415050871 393113221 /nfs/dbraw/zinc/11/32/21/393113221.db2.gz DIJJQVAPTZKJOZ-CRAIPNDOSA-N 2 1 290.451 3.282 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCOc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000415053945 393115271 /nfs/dbraw/zinc/11/52/71/393115271.db2.gz KXOBOCQIFIIZGL-SJLPKXTDSA-N 2 1 290.451 3.152 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415055843 393116637 /nfs/dbraw/zinc/11/66/37/393116637.db2.gz RKUKDZMSCARXRP-QZTJIDSGSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000415054265 393117199 /nfs/dbraw/zinc/11/71/99/393117199.db2.gz PQEFFSABCQCKHH-LSTHTHJFSA-N 2 1 294.442 3.210 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(Br)c1)C1CCCC1 ZINC000415057455 393118988 /nfs/dbraw/zinc/11/89/88/393118988.db2.gz UGDUAUVQFFWZRJ-CQSZACIVSA-N 2 1 297.240 3.056 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415064736 393124010 /nfs/dbraw/zinc/12/40/10/393124010.db2.gz LIOXZSFRLJPCII-INIZCTEOSA-N 2 1 278.465 3.406 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415068999 393126042 /nfs/dbraw/zinc/12/60/42/393126042.db2.gz RZCNYKHUNLDXIU-SFHVURJKSA-N 2 1 274.452 3.460 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)s1)C1CCCC1 ZINC000415069387 393128220 /nfs/dbraw/zinc/12/82/20/393128220.db2.gz SKAGEQXPJILPPT-NSHDSACASA-N 2 1 258.818 3.009 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1CCCC1 ZINC000415073008 393130242 /nfs/dbraw/zinc/13/02/42/393130242.db2.gz YRXCPXHOAVOVEF-AWEZNQCLSA-N 2 1 270.779 3.086 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000468358746 393136994 /nfs/dbraw/zinc/13/69/94/393136994.db2.gz VPPRTISTRACTJJ-VGWMRTNUSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000415088546 393140957 /nfs/dbraw/zinc/14/09/57/393140957.db2.gz VHDRYLGTMNCNMN-OAHLLOKOSA-N 2 1 268.351 3.148 20 0 CGADMP C[C@H]1CC[N@@H+](CCCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000415128893 393152576 /nfs/dbraw/zinc/15/25/76/393152576.db2.gz OPTDYKBMQPFFRF-DLBZAZTESA-N 2 1 290.451 3.152 20 0 CGADMP COc1cccc2c1ncc(C)c2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468726407 393158467 /nfs/dbraw/zinc/15/84/67/393158467.db2.gz UYJVYZAXGIONKC-KBPBESRZSA-N 2 1 299.418 3.446 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC(F)(F)CC1 ZINC000353285188 393219294 /nfs/dbraw/zinc/21/92/94/393219294.db2.gz ATLAEDUYVVXWIB-QEJZJMRPSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000470353642 393244304 /nfs/dbraw/zinc/24/43/04/393244304.db2.gz MWXRRCIVGUBTES-CYBMUJFWSA-N 2 1 278.827 3.295 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000469798021 393216210 /nfs/dbraw/zinc/21/62/10/393216210.db2.gz CXKMSCPPMWOJDM-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000469798021 393216221 /nfs/dbraw/zinc/21/62/21/393216221.db2.gz CXKMSCPPMWOJDM-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278922449 393329144 /nfs/dbraw/zinc/32/91/44/393329144.db2.gz IDDIMSYEEPLUSB-CXAGYDPISA-N 2 1 299.393 3.252 20 0 CGADMP CC(C)C[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000475205965 393382461 /nfs/dbraw/zinc/38/24/61/393382461.db2.gz AYVJISKHZZDJLV-QRVBRYPASA-N 2 1 286.463 3.310 20 0 CGADMP CC(C)C[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000475205965 393382464 /nfs/dbraw/zinc/38/24/64/393382464.db2.gz AYVJISKHZZDJLV-QRVBRYPASA-N 2 1 286.463 3.310 20 0 CGADMP CC(C)C[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000475205965 393382469 /nfs/dbraw/zinc/38/24/69/393382469.db2.gz AYVJISKHZZDJLV-QRVBRYPASA-N 2 1 286.463 3.310 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000474475046 393341283 /nfs/dbraw/zinc/34/12/83/393341283.db2.gz MJOHIYWDGPMFDI-SQNIBIBYSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000474733993 393345119 /nfs/dbraw/zinc/34/51/19/393345119.db2.gz ZZOFAAIOLDFGSW-SQNIBIBYSA-N 2 1 296.499 3.028 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000474867978 393353034 /nfs/dbraw/zinc/35/30/34/393353034.db2.gz KLYXDCBDAKBQPW-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000474867978 393353037 /nfs/dbraw/zinc/35/30/37/393353037.db2.gz KLYXDCBDAKBQPW-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380082 393480972 /nfs/dbraw/zinc/48/09/72/393480972.db2.gz RDZBMWVZHIPJDS-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380082 393480975 /nfs/dbraw/zinc/48/09/75/393480975.db2.gz RDZBMWVZHIPJDS-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP CCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420293643 393451457 /nfs/dbraw/zinc/45/14/57/393451457.db2.gz AAFUIVFSRYSRPV-HNNXBMFYSA-N 2 1 278.415 3.427 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000487532933 393452307 /nfs/dbraw/zinc/45/23/07/393452307.db2.gz FWASDUJAWYITBT-OAGGEKHMSA-N 2 1 266.473 3.379 20 0 CGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420298293 393453552 /nfs/dbraw/zinc/45/35/52/393453552.db2.gz DWQVSMFEAOXUPP-HOCLYGCPSA-N 2 1 292.854 3.347 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420297522 393454205 /nfs/dbraw/zinc/45/42/05/393454205.db2.gz GBXXYQFLJNQDLL-QZTJIDSGSA-N 2 1 272.436 3.002 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420301742 393455515 /nfs/dbraw/zinc/45/55/15/393455515.db2.gz JARAWISWOUQGQQ-KDOFPFPSSA-N 2 1 270.420 3.138 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](CC(C)C)C2)cc1 ZINC000420303918 393457109 /nfs/dbraw/zinc/45/71/09/393457109.db2.gz NXHWZUIPSNYQFU-DOTOQJQBSA-N 2 1 290.451 3.106 20 0 CGADMP c1csc([C@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420310825 393459706 /nfs/dbraw/zinc/45/97/06/393459706.db2.gz GGIYZPORHYTZBW-UONOGXRCSA-N 2 1 279.453 3.060 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC3(C1)CC[NH2+]CC3)CCC2 ZINC000420312599 393460387 /nfs/dbraw/zinc/46/03/87/393460387.db2.gz SPWBSYBAACUDES-KRWDZBQOSA-N 2 1 288.410 3.279 20 0 CGADMP c1ccc(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420392020 393482957 /nfs/dbraw/zinc/48/29/57/393482957.db2.gz IUEWEAQOUOVYTR-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420315228 393461591 /nfs/dbraw/zinc/46/15/91/393461591.db2.gz LJZHHPUWYQVBAT-WMZOPIPTSA-N 2 1 290.426 3.222 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000420319453 393463616 /nfs/dbraw/zinc/46/36/16/393463616.db2.gz POGXARFGXQRUSZ-GJZGRUSLSA-N 2 1 276.424 3.165 20 0 CGADMP C[N@@H+](CCOc1cccc(Cl)c1)CC[C@@H]1CCC[NH2+]C1 ZINC000420318742 393463642 /nfs/dbraw/zinc/46/36/42/393463642.db2.gz ORVIKINDXJDFHN-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H](C)[NH3+] ZINC000420328401 393468742 /nfs/dbraw/zinc/46/87/42/393468742.db2.gz ZIAGHUPSYTWOOU-NSHDSACASA-N 2 1 285.229 3.007 20 0 CGADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H](C)[NH3+] ZINC000420328401 393468746 /nfs/dbraw/zinc/46/87/46/393468746.db2.gz ZIAGHUPSYTWOOU-NSHDSACASA-N 2 1 285.229 3.007 20 0 CGADMP Fc1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420326798 393468896 /nfs/dbraw/zinc/46/88/96/393468896.db2.gz XTKLDONBBAETTD-CQSZACIVSA-N 2 1 276.399 3.180 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1Cl ZINC000420345594 393473399 /nfs/dbraw/zinc/47/33/99/393473399.db2.gz ZXHJFAOFKFDLSX-UHFFFAOYSA-N 2 1 282.815 3.049 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1Cl ZINC000420345594 393473402 /nfs/dbraw/zinc/47/34/02/393473402.db2.gz ZXHJFAOFKFDLSX-UHFFFAOYSA-N 2 1 282.815 3.049 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420363198 393475560 /nfs/dbraw/zinc/47/55/60/393475560.db2.gz BJBGTLOUURXNQD-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000420375475 393478100 /nfs/dbraw/zinc/47/81/00/393478100.db2.gz PMLGXNWXXYXJDJ-HZMBPMFUSA-N 2 1 297.240 3.227 20 0 CGADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249018 393412613 /nfs/dbraw/zinc/41/26/13/393412613.db2.gz XNJLPRGGOBSNSD-JQHSSLGASA-N 2 1 274.452 3.356 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000488421355 393505760 /nfs/dbraw/zinc/50/57/60/393505760.db2.gz KAKKAHFVMWPXMT-ILXRZTDVSA-N 2 1 278.465 3.206 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000488421355 393505766 /nfs/dbraw/zinc/50/57/66/393505766.db2.gz KAKKAHFVMWPXMT-ILXRZTDVSA-N 2 1 278.465 3.206 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000488421359 393507280 /nfs/dbraw/zinc/50/72/80/393507280.db2.gz KAKKAHFVMWPXMT-RBSFLKMASA-N 2 1 278.465 3.206 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000488421359 393507284 /nfs/dbraw/zinc/50/72/84/393507284.db2.gz KAKKAHFVMWPXMT-RBSFLKMASA-N 2 1 278.465 3.206 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000657313840 542795061 /nfs/dbraw/zinc/79/50/61/542795061.db2.gz VQCXAGIJUKSUMD-QZTJIDSGSA-N 2 1 288.435 3.110 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000657313840 542795064 /nfs/dbraw/zinc/79/50/64/542795064.db2.gz VQCXAGIJUKSUMD-QZTJIDSGSA-N 2 1 288.435 3.110 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000430552309 393575065 /nfs/dbraw/zinc/57/50/65/393575065.db2.gz JXROJRJWLQQQDM-NWDGAFQWSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000430552309 393575072 /nfs/dbraw/zinc/57/50/72/393575072.db2.gz JXROJRJWLQQQDM-NWDGAFQWSA-N 2 1 284.806 3.081 20 0 CGADMP CC(C)(C[NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000666805514 542816917 /nfs/dbraw/zinc/81/69/17/542816917.db2.gz MHYKTUDINVFXLI-UHFFFAOYSA-N 2 1 297.446 3.129 20 0 CGADMP c1ccc(CSCC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000430750894 393593266 /nfs/dbraw/zinc/59/32/66/393593266.db2.gz QIJOBTIAPUDDBG-IAGOWNOFSA-N 2 1 290.476 3.136 20 0 CGADMP c1ccc(CSCC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000430750894 393593270 /nfs/dbraw/zinc/59/32/70/393593270.db2.gz QIJOBTIAPUDDBG-IAGOWNOFSA-N 2 1 290.476 3.136 20 0 CGADMP c1ccc(CSCC[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000430750895 393593489 /nfs/dbraw/zinc/59/34/89/393593489.db2.gz QIJOBTIAPUDDBG-IRXDYDNUSA-N 2 1 290.476 3.136 20 0 CGADMP c1ccc(CSCC[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000430750895 393593493 /nfs/dbraw/zinc/59/34/93/393593493.db2.gz QIJOBTIAPUDDBG-IRXDYDNUSA-N 2 1 290.476 3.136 20 0 CGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC000424261601 393678780 /nfs/dbraw/zinc/67/87/80/393678780.db2.gz CLZBWANVHNXCHJ-LYEGSJOYSA-N 2 1 294.483 3.044 20 0 CGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC000424261601 393678784 /nfs/dbraw/zinc/67/87/84/393678784.db2.gz CLZBWANVHNXCHJ-LYEGSJOYSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432450885 393614974 /nfs/dbraw/zinc/61/49/74/393614974.db2.gz YPPCUVVNYWICQG-BBWFWOEESA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432450885 393614979 /nfs/dbraw/zinc/61/49/79/393614979.db2.gz YPPCUVVNYWICQG-BBWFWOEESA-N 2 1 284.488 3.292 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000360940623 393620559 /nfs/dbraw/zinc/62/05/59/393620559.db2.gz GUWCQIMHECWKRU-KRWDZBQOSA-N 2 1 299.418 3.312 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432787527 393639374 /nfs/dbraw/zinc/63/93/74/393639374.db2.gz HDIMDYTXPUOUPA-FUHWJXTLSA-N 2 1 274.452 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432787525 393639417 /nfs/dbraw/zinc/63/94/17/393639417.db2.gz HDIMDYTXPUOUPA-AEFFLSMTSA-N 2 1 274.452 3.281 20 0 CGADMP C[C@@H]([NH2+]CCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422742336 393640594 /nfs/dbraw/zinc/64/05/94/393640594.db2.gz RLRWOVHLCSHPLN-YGRLFVJLSA-N 2 1 287.234 3.266 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423273866 393657391 /nfs/dbraw/zinc/65/73/91/393657391.db2.gz KZXVCVUGGYMGKX-XZJROXQQSA-N 2 1 264.388 3.022 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423265522 393657843 /nfs/dbraw/zinc/65/78/43/393657843.db2.gz BCNJSINKFXVXTP-IRXDYDNUSA-N 2 1 283.419 3.181 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000423298898 393660305 /nfs/dbraw/zinc/66/03/05/393660305.db2.gz PCXUAPKHWXOYKY-IXDOHACOSA-N 2 1 260.425 3.430 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000423297281 393660398 /nfs/dbraw/zinc/66/03/98/393660398.db2.gz JPXWTENFHAOFQU-JKSUJKDBSA-N 2 1 292.423 3.031 20 0 CGADMP CCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000491026342 393663096 /nfs/dbraw/zinc/66/30/96/393663096.db2.gz GDENFSNQMLGRAC-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000423360622 393663891 /nfs/dbraw/zinc/66/38/91/393663891.db2.gz FYPPLMHZGROSRY-SWLSCSKDSA-N 2 1 268.832 3.234 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423445220 393667873 /nfs/dbraw/zinc/66/78/73/393667873.db2.gz MMHMVRYKXBXNBV-IOASZLSFSA-N 2 1 276.424 3.349 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423484165 393670365 /nfs/dbraw/zinc/67/03/65/393670365.db2.gz YIYZDJRPIJLUDX-MLGOLLRUSA-N 2 1 271.408 3.181 20 0 CGADMP COCC[NH+]1CCC([NH2+]CC[C@H](C)CC(C)(C)C)CC1 ZINC000443192441 393749170 /nfs/dbraw/zinc/74/91/70/393749170.db2.gz JQLLWJSYJCWAFQ-HNNXBMFYSA-N 2 1 284.488 3.149 20 0 CGADMP Cc1cccc(CCC[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000499936189 393811602 /nfs/dbraw/zinc/81/16/02/393811602.db2.gz NLTSVDYJINPKHL-UHFFFAOYSA-N 2 1 274.452 3.345 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000502013938 393866496 /nfs/dbraw/zinc/86/64/96/393866496.db2.gz BAHLLOWEICTCGW-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000448069055 393868063 /nfs/dbraw/zinc/86/80/63/393868063.db2.gz CUWIHWTYPWHLRP-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCCC[C@@H]1C ZINC000448069055 393868070 /nfs/dbraw/zinc/86/80/70/393868070.db2.gz CUWIHWTYPWHLRP-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000502867820 393885910 /nfs/dbraw/zinc/88/59/10/393885910.db2.gz ORYGZKXERVKWLW-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502867820 393885912 /nfs/dbraw/zinc/88/59/12/393885912.db2.gz ORYGZKXERVKWLW-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000502867820 393885914 /nfs/dbraw/zinc/88/59/14/393885914.db2.gz ORYGZKXERVKWLW-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561653 393904075 /nfs/dbraw/zinc/90/40/75/393904075.db2.gz WQTYMPZMQJMTMM-BPIHKTFHSA-N 2 1 286.463 3.470 20 0 CGADMP CC(C)COCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000501165980 393848153 /nfs/dbraw/zinc/84/81/53/393848153.db2.gz XLJNAFZERSHPOA-GOSISDBHSA-N 2 1 296.499 3.247 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000501165980 393848156 /nfs/dbraw/zinc/84/81/56/393848156.db2.gz XLJNAFZERSHPOA-GOSISDBHSA-N 2 1 296.499 3.247 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000449785027 393944216 /nfs/dbraw/zinc/94/42/16/393944216.db2.gz ZIWOZISYDAHPCU-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000449785027 393944217 /nfs/dbraw/zinc/94/42/17/393944217.db2.gz ZIWOZISYDAHPCU-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)c2nccn21 ZINC000453061433 394157159 /nfs/dbraw/zinc/15/71/59/394157159.db2.gz PIVHITOFROOCCP-BZUAXINKSA-N 2 1 290.455 3.133 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000453060762 394157256 /nfs/dbraw/zinc/15/72/56/394157256.db2.gz OGFOZNOYNBEUCP-NJAFHUGGSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000453060762 394157260 /nfs/dbraw/zinc/15/72/60/394157260.db2.gz OGFOZNOYNBEUCP-NJAFHUGGSA-N 2 1 287.451 3.009 20 0 CGADMP CCn1ccnc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000453067426 394159055 /nfs/dbraw/zinc/15/90/55/394159055.db2.gz XQNWLYPDPKRBMS-CVEARBPZSA-N 2 1 292.471 3.066 20 0 CGADMP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453077798 394163062 /nfs/dbraw/zinc/16/30/62/394163062.db2.gz IJWZKJKJBGYDIF-BRWVUGGUSA-N 2 1 258.409 3.039 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC000453605018 394256448 /nfs/dbraw/zinc/25/64/48/394256448.db2.gz ZMXSBKVFUIMXNS-HIFRSBDPSA-N 2 1 284.513 3.371 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCC1 ZINC000453224874 394210619 /nfs/dbraw/zinc/21/06/19/394210619.db2.gz XEKPTYZMDQXPCY-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCC1 ZINC000453224874 394210621 /nfs/dbraw/zinc/21/06/21/394210621.db2.gz XEKPTYZMDQXPCY-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCC1 ZINC000453224877 394210964 /nfs/dbraw/zinc/21/09/64/394210964.db2.gz XEKPTYZMDQXPCY-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCC1 ZINC000453224877 394210966 /nfs/dbraw/zinc/21/09/66/394210966.db2.gz XEKPTYZMDQXPCY-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC000453605017 394256974 /nfs/dbraw/zinc/25/69/74/394256974.db2.gz ZMXSBKVFUIMXNS-DZGCQCFKSA-N 2 1 284.513 3.371 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C)C1CC1 ZINC000453389463 394228047 /nfs/dbraw/zinc/22/80/47/394228047.db2.gz CMOHBQJSIFMRJH-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C2CCC2)CCC1 ZINC000453395458 394231411 /nfs/dbraw/zinc/23/14/11/394231411.db2.gz JUEHZLLZNJLTJJ-HZPDHXFCSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000453398260 394232184 /nfs/dbraw/zinc/23/21/84/394232184.db2.gz KKVRRCUOYDCNBP-LBPRGKRZSA-N 2 1 282.378 3.490 20 0 CGADMP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1(C)C ZINC000453406964 394236112 /nfs/dbraw/zinc/23/61/12/394236112.db2.gz RQILQVGDDPSPHJ-CVEARBPZSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]1C ZINC000453420967 394241650 /nfs/dbraw/zinc/24/16/50/394241650.db2.gz ZZALIJPQRHXMGI-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453444372 394246219 /nfs/dbraw/zinc/24/62/19/394246219.db2.gz ZFXACXSEGCXCSS-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000453598639 394254066 /nfs/dbraw/zinc/25/40/66/394254066.db2.gz PWRWHQXJIPEGJS-UHFFFAOYSA-N 2 1 289.398 3.271 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1ccccc1)C1CC1 ZINC000453599394 394254579 /nfs/dbraw/zinc/25/45/79/394254579.db2.gz QZVXLSVWSRPFRC-UHFFFAOYSA-N 2 1 298.434 3.041 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000453598742 394254681 /nfs/dbraw/zinc/25/46/81/394254681.db2.gz JRAFAPDTECIBQB-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc21 ZINC000667667711 542912597 /nfs/dbraw/zinc/91/25/97/542912597.db2.gz UIAIOROVPAFTAJ-HOCLYGCPSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc21 ZINC000667667711 542912599 /nfs/dbraw/zinc/91/25/99/542912599.db2.gz UIAIOROVPAFTAJ-HOCLYGCPSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc21 ZINC000667667711 542912603 /nfs/dbraw/zinc/91/26/03/542912603.db2.gz UIAIOROVPAFTAJ-HOCLYGCPSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc21 ZINC000667667711 542912606 /nfs/dbraw/zinc/91/26/06/542912606.db2.gz UIAIOROVPAFTAJ-HOCLYGCPSA-N 2 1 285.435 3.391 20 0 CGADMP CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CC)C2)c(C)c1 ZINC000667681261 542915144 /nfs/dbraw/zinc/91/51/44/542915144.db2.gz DWRUUFLXAXAZOW-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c(C)c1 ZINC000667681261 542915146 /nfs/dbraw/zinc/91/51/46/542915146.db2.gz DWRUUFLXAXAZOW-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c(C)c1 ZINC000667681261 542915149 /nfs/dbraw/zinc/91/51/49/542915149.db2.gz DWRUUFLXAXAZOW-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c(C)c1 ZINC000667681261 542915151 /nfs/dbraw/zinc/91/51/51/542915151.db2.gz DWRUUFLXAXAZOW-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c(C)c1 ZINC000667681261 542915154 /nfs/dbraw/zinc/91/51/54/542915154.db2.gz DWRUUFLXAXAZOW-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668165647 542978146 /nfs/dbraw/zinc/97/81/46/542978146.db2.gz AAOFMYHSRBPWBM-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668165647 542978151 /nfs/dbraw/zinc/97/81/51/542978151.db2.gz AAOFMYHSRBPWBM-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP CC(C)[C@@H]1[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12CCC2 ZINC000668184604 542984408 /nfs/dbraw/zinc/98/44/08/542984408.db2.gz KPWKHKFCKAXHKK-KRWDZBQOSA-N 2 1 296.418 3.278 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccncc2s1 ZINC000668172420 542981204 /nfs/dbraw/zinc/98/12/04/542981204.db2.gz NGGBKFIHKWWPJW-SWLSCSKDSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccncc2s1 ZINC000668172420 542981207 /nfs/dbraw/zinc/98/12/07/542981207.db2.gz NGGBKFIHKWWPJW-SWLSCSKDSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2ccncc2s1 ZINC000668172420 542981211 /nfs/dbraw/zinc/98/12/11/542981211.db2.gz NGGBKFIHKWWPJW-SWLSCSKDSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2ccncc2s1 ZINC000668172420 542981213 /nfs/dbraw/zinc/98/12/13/542981213.db2.gz NGGBKFIHKWWPJW-SWLSCSKDSA-N 2 1 289.448 3.068 20 0 CGADMP CC(C)[C@H]1C[N@@H+](Cc2ccnn2-c2ccncc2)[C@H]1C(C)C ZINC000668220067 542991928 /nfs/dbraw/zinc/99/19/28/542991928.db2.gz BVUQLIUKANWYRS-MSOLQXFVSA-N 2 1 298.434 3.380 20 0 CGADMP CC(C)[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C(C)C ZINC000668220067 542991930 /nfs/dbraw/zinc/99/19/30/542991930.db2.gz BVUQLIUKANWYRS-MSOLQXFVSA-N 2 1 298.434 3.380 20 0 CGADMP C[N@@H+](CCC(C)(C)C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668274776 542999974 /nfs/dbraw/zinc/99/99/74/542999974.db2.gz LFRUEBDYIPEWSO-UHFFFAOYSA-N 2 1 272.396 3.135 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000164832544 292081098 /nfs/dbraw/zinc/08/10/98/292081098.db2.gz IHIAKNURWLEZBI-WBVHZDCISA-N 2 1 274.452 3.345 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000671707030 543178506 /nfs/dbraw/zinc/17/85/06/543178506.db2.gz YKIGCDWLLBUIHD-AQHAOUESSA-N 2 1 292.373 3.194 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000671739983 543183344 /nfs/dbraw/zinc/18/33/44/543183344.db2.gz TXXKFKRHVGETGP-FHWLQOOXSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C2CC2)cc1 ZINC000423363106 292110506 /nfs/dbraw/zinc/11/05/06/292110506.db2.gz AKVLDPJTQRACMC-OLMNPRSZSA-N 2 1 272.436 3.046 20 0 CGADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000094848915 397642047 /nfs/dbraw/zinc/64/20/47/397642047.db2.gz KAMRBSSHTIEACL-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000491065905 397708682 /nfs/dbraw/zinc/70/86/82/397708682.db2.gz MQSYFEISFYZLFK-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP COc1cccc2c1C[N@@H+](CCCCn1ccnc1C)CC2 ZINC000650109616 397785065 /nfs/dbraw/zinc/78/50/65/397785065.db2.gz VKGRDMZNGCYMDT-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP COc1cccc2c1C[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000650109616 397785068 /nfs/dbraw/zinc/78/50/68/397785068.db2.gz VKGRDMZNGCYMDT-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC(CC[NH3+])CC1 ZINC000650308060 397813856 /nfs/dbraw/zinc/81/38/56/397813856.db2.gz ZWDVSEMFHRNVFO-UHFFFAOYSA-N 2 1 269.392 3.108 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c1)CCC2 ZINC000650702893 397897744 /nfs/dbraw/zinc/89/77/44/397897744.db2.gz ZRWDVTPBUQGNDG-PKOBYXMFSA-N 2 1 284.447 3.139 20 0 CGADMP C[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000650711567 397898779 /nfs/dbraw/zinc/89/87/79/397898779.db2.gz XOGOAGUFZHVFRI-CFSAACEMSA-N 2 1 276.399 3.288 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)[C@H]1CC[NH3+] ZINC000650711417 397899248 /nfs/dbraw/zinc/89/92/48/397899248.db2.gz SYZMGEZVLMPKMS-YOEHRIQHSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)[C@H]1CC[NH3+] ZINC000650711417 397899253 /nfs/dbraw/zinc/89/92/53/397899253.db2.gz SYZMGEZVLMPKMS-YOEHRIQHSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)[C@H]1CC[NH3+] ZINC000650711417 397899256 /nfs/dbraw/zinc/89/92/56/397899256.db2.gz SYZMGEZVLMPKMS-YOEHRIQHSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)[C@H]1CC[NH3+] ZINC000650711417 397899260 /nfs/dbraw/zinc/89/92/60/397899260.db2.gz SYZMGEZVLMPKMS-YOEHRIQHSA-N 2 1 298.434 3.026 20 0 CGADMP CCC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccn1 ZINC000650754605 397909433 /nfs/dbraw/zinc/90/94/33/397909433.db2.gz MKYVMWBTDFEOTK-INIZCTEOSA-N 2 1 287.382 3.310 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)[C@@H]2CCC[C@H]21 ZINC000552244469 289174624 /nfs/dbraw/zinc/17/46/24/289174624.db2.gz BKCUPHDWFYOJNF-HRCADAONSA-N 2 1 264.457 3.418 20 0 CGADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000421814084 292145646 /nfs/dbraw/zinc/14/56/46/292145646.db2.gz INNUBZUJBZRHQO-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881765 543369293 /nfs/dbraw/zinc/36/92/93/543369293.db2.gz MZVHHERBDXTLHY-CIRFHOKZSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000676211617 543386945 /nfs/dbraw/zinc/38/69/45/543386945.db2.gz BDLKFRAMIWHILV-KBPBESRZSA-N 2 1 268.470 3.389 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000676211617 543386948 /nfs/dbraw/zinc/38/69/48/543386948.db2.gz BDLKFRAMIWHILV-KBPBESRZSA-N 2 1 268.470 3.389 20 0 CGADMP C[N@H+](Cc1ccccc1C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000678153855 543489340 /nfs/dbraw/zinc/48/93/40/543489340.db2.gz STHBMIWXBUJDOU-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](Cc1ccccc1C1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000678153855 543489341 /nfs/dbraw/zinc/48/93/41/543489341.db2.gz STHBMIWXBUJDOU-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](Cc1ccccc1C1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000678153855 543489343 /nfs/dbraw/zinc/48/93/43/543489343.db2.gz STHBMIWXBUJDOU-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678271099 543506409 /nfs/dbraw/zinc/50/64/09/543506409.db2.gz NIVDKZONNVRNNV-JKSUJKDBSA-N 2 1 290.451 3.247 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678411693 543521827 /nfs/dbraw/zinc/52/18/27/543521827.db2.gz JENYDYUOQMMFIY-CQSZACIVSA-N 2 1 263.429 3.081 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000678596656 543540125 /nfs/dbraw/zinc/54/01/25/543540125.db2.gz IDKJEARGRCVROJ-SXXASDTRSA-N 2 1 284.447 3.395 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678765848 543554317 /nfs/dbraw/zinc/55/43/17/543554317.db2.gz HEHKFFOFUZYPEE-RKVPGOIHSA-N 2 1 272.436 3.241 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000678768254 543555235 /nfs/dbraw/zinc/55/52/35/543555235.db2.gz JVNYGWOZFDCAOA-GUYCJALGSA-N 2 1 269.392 3.105 20 0 CGADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000678774684 543556964 /nfs/dbraw/zinc/55/69/64/543556964.db2.gz BXLOPERDOBPGOC-NLWGTHIKSA-N 2 1 298.474 3.497 20 0 CGADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262137848 292226739 /nfs/dbraw/zinc/22/67/39/292226739.db2.gz YVRSZWJOVXFUAM-NXHRZFHOSA-N 2 1 272.436 3.172 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CCCC1 ZINC000081639302 287075814 /nfs/dbraw/zinc/07/58/14/287075814.db2.gz WFAHUBCQXYPWBE-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CCCC1 ZINC000081639302 287075816 /nfs/dbraw/zinc/07/58/16/287075816.db2.gz WFAHUBCQXYPWBE-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C(C)C ZINC000090586465 287102921 /nfs/dbraw/zinc/10/29/21/287102921.db2.gz NJYHJYWDPWHNNY-HZPDHXFCSA-N 2 1 254.462 3.379 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000092346008 165290162 /nfs/dbraw/zinc/29/01/62/165290162.db2.gz XLHCFWZRPDSLMP-CABCVRRESA-N 2 1 283.419 3.102 20 0 CGADMP CC(C)CCn1cccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092254000 165291409 /nfs/dbraw/zinc/29/14/09/165291409.db2.gz PGWXCGXKPQYGTA-KRWDZBQOSA-N 2 1 291.483 3.308 20 0 CGADMP CC(C)CCn1cccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092254000 165291412 /nfs/dbraw/zinc/29/14/12/165291412.db2.gz PGWXCGXKPQYGTA-KRWDZBQOSA-N 2 1 291.483 3.308 20 0 CGADMP CC(C)CCn1cccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092254000 165291414 /nfs/dbraw/zinc/29/14/14/165291414.db2.gz PGWXCGXKPQYGTA-KRWDZBQOSA-N 2 1 291.483 3.308 20 0 CGADMP CC(C)CCn1cccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092254000 165291416 /nfs/dbraw/zinc/29/14/16/165291416.db2.gz PGWXCGXKPQYGTA-KRWDZBQOSA-N 2 1 291.483 3.308 20 0 CGADMP CC[C@@H](C)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000093054658 165321345 /nfs/dbraw/zinc/32/13/45/165321345.db2.gz PICJIAFPGRAPMH-OAHLLOKOSA-N 2 1 260.425 3.071 20 0 CGADMP CC[C@@H](C)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000093054658 165321348 /nfs/dbraw/zinc/32/13/48/165321348.db2.gz PICJIAFPGRAPMH-OAHLLOKOSA-N 2 1 260.425 3.071 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093872924 165339967 /nfs/dbraw/zinc/33/99/67/165339967.db2.gz HAHLODCOUZGXLL-NSHDSACASA-N 2 1 299.256 3.427 20 0 CGADMP C[N@H+](Cc1ccccc1OC(F)(F)F)CC(C)(C)C[NH3+] ZINC000093861214 165340141 /nfs/dbraw/zinc/34/01/41/165340141.db2.gz VVKDYVVYJGYQMN-UHFFFAOYSA-N 2 1 290.329 3.002 20 0 CGADMP C[N@@H+](Cc1ccccc1OC(F)(F)F)CC(C)(C)C[NH3+] ZINC000093861214 165340144 /nfs/dbraw/zinc/34/01/44/165340144.db2.gz VVKDYVVYJGYQMN-UHFFFAOYSA-N 2 1 290.329 3.002 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873091 165340729 /nfs/dbraw/zinc/34/07/29/165340729.db2.gz YPSXBODJHROGLY-LLVKDONJSA-N 2 1 299.256 3.427 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1OC ZINC000093406343 287116415 /nfs/dbraw/zinc/11/64/15/287116415.db2.gz FYFJGNJEEVMUMK-RDJZCZTQSA-N 2 1 290.451 3.386 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000178744653 165638838 /nfs/dbraw/zinc/63/88/38/165638838.db2.gz NLSKFDZERKZFOI-MELADBBJSA-N 2 1 263.429 3.242 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000124706573 287236144 /nfs/dbraw/zinc/23/61/44/287236144.db2.gz CZLLVTAVOHZUFD-RDJZCZTQSA-N 2 1 290.451 3.089 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)o1 ZINC000020438908 171203628 /nfs/dbraw/zinc/20/36/28/171203628.db2.gz MGEADDZYKCTGRC-CQSZACIVSA-N 2 1 264.413 3.423 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524004 171236208 /nfs/dbraw/zinc/23/62/08/171236208.db2.gz WPWGBSPICNBPGO-WZYMTQMTSA-N 2 1 252.446 3.416 20 0 CGADMP C[N@@H+](CCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285486444 196299951 /nfs/dbraw/zinc/29/99/51/196299951.db2.gz LSIMEYJJINSSOV-SJPCQFCGSA-N 2 1 288.435 3.013 20 0 CGADMP C[NH+](CCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285486444 196299952 /nfs/dbraw/zinc/29/99/52/196299952.db2.gz LSIMEYJJINSSOV-SJPCQFCGSA-N 2 1 288.435 3.013 20 0 CGADMP C[NH+](CCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285486444 196299954 /nfs/dbraw/zinc/29/99/54/196299954.db2.gz LSIMEYJJINSSOV-SJPCQFCGSA-N 2 1 288.435 3.013 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000037267046 173078008 /nfs/dbraw/zinc/07/80/08/173078008.db2.gz ZBGXKCPPSCATLZ-SNVBAGLBSA-N 2 1 270.779 3.224 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)ccc2[nH]1 ZINC000285720274 196377286 /nfs/dbraw/zinc/37/72/86/196377286.db2.gz QCCYRWVXYOEZGI-XAYKYTGQSA-N 2 1 285.435 3.295 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408194 173183461 /nfs/dbraw/zinc/18/34/61/173183461.db2.gz YHWIQECQHJCHQL-ZDUSSCGKSA-N 2 1 298.352 3.279 20 0 CGADMP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127751877 287295387 /nfs/dbraw/zinc/29/53/87/287295387.db2.gz MNORVTFBSXAJJO-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044528000 175192927 /nfs/dbraw/zinc/19/29/27/175192927.db2.gz BIQCICBSRAHNFV-CQSZACIVSA-N 2 1 284.403 3.019 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)s1 ZINC000049687864 416474729 /nfs/dbraw/zinc/47/47/29/416474729.db2.gz KQVROAQSDDTMJV-HOCLYGCPSA-N 2 1 278.465 3.329 20 0 CGADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953742 416479598 /nfs/dbraw/zinc/47/95/98/416479598.db2.gz AAZHORQEXAPRAS-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000314667801 416537552 /nfs/dbraw/zinc/53/75/52/416537552.db2.gz IULQBSSMLVTEED-SNVBAGLBSA-N 2 1 283.828 3.418 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000315061936 416537620 /nfs/dbraw/zinc/53/76/20/416537620.db2.gz ZYYVSBGNYJTAQJ-DJIMGWMZSA-N 2 1 280.415 3.442 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000315061939 416537965 /nfs/dbraw/zinc/53/79/65/416537965.db2.gz ZYYVSBGNYJTAQJ-PVAVHDDUSA-N 2 1 280.415 3.442 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)[C@H]1CC[NH3+] ZINC000404258718 416551611 /nfs/dbraw/zinc/55/16/11/416551611.db2.gz CJAQKKDCXDGYBR-WBVHZDCISA-N 2 1 282.472 3.033 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2coc3ccccc23)[C@H]1CC[NH3+] ZINC000404267811 416551649 /nfs/dbraw/zinc/55/16/49/416551649.db2.gz IPAYQLGLMGSFRW-CJNGLKHVSA-N 2 1 272.392 3.382 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915778 416563224 /nfs/dbraw/zinc/56/32/24/416563224.db2.gz MUROYHULGOWWJD-ZJPYXAASSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915778 416563227 /nfs/dbraw/zinc/56/32/27/416563227.db2.gz MUROYHULGOWWJD-ZJPYXAASSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915778 416563230 /nfs/dbraw/zinc/56/32/30/416563230.db2.gz MUROYHULGOWWJD-ZJPYXAASSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000129639383 287336825 /nfs/dbraw/zinc/33/68/25/287336825.db2.gz YNNZRHIKLBSZKB-LMPOIIKSSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000129639383 287336827 /nfs/dbraw/zinc/33/68/27/287336827.db2.gz YNNZRHIKLBSZKB-LMPOIIKSSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[C@@H](F)C2)C[C@@H]1F ZINC000679227729 543604914 /nfs/dbraw/zinc/60/49/14/543604914.db2.gz ZYCHDZWCHPSUBL-FZKCQIBNSA-N 2 1 288.426 3.126 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[C@@H](F)C2)C[C@@H]1F ZINC000679227729 543604915 /nfs/dbraw/zinc/60/49/15/543604915.db2.gz ZYCHDZWCHPSUBL-FZKCQIBNSA-N 2 1 288.426 3.126 20 0 CGADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[C@@H](F)C2)C[C@@H]1F ZINC000679227729 543604916 /nfs/dbraw/zinc/60/49/16/543604916.db2.gz ZYCHDZWCHPSUBL-FZKCQIBNSA-N 2 1 288.426 3.126 20 0 CGADMP C1=CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000679394972 543634639 /nfs/dbraw/zinc/63/46/39/543634639.db2.gz UPWMIBVJPIOFNV-LDLYASANSA-N 2 1 282.431 3.490 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000681755447 543807033 /nfs/dbraw/zinc/80/70/33/543807033.db2.gz VDUKZQYEZIZZOH-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000682375693 543838030 /nfs/dbraw/zinc/83/80/30/543838030.db2.gz LNKTYKUFLGGHQK-KBAYOESNSA-N 2 1 296.499 3.148 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000131400456 287378667 /nfs/dbraw/zinc/37/86/67/287378667.db2.gz XEXBCGGQIGQHLG-CQSZACIVSA-N 2 1 294.487 3.329 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H]2CCCC(C)(C)C2)CCCO1 ZINC000683344383 543909634 /nfs/dbraw/zinc/90/96/34/543909634.db2.gz SKSQUZIEURRRQH-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459796695 287398298 /nfs/dbraw/zinc/39/82/98/287398298.db2.gz WFWAQYONKSUQKM-OWCLPIDISA-N 2 1 252.446 3.134 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000684369935 543987401 /nfs/dbraw/zinc/98/74/01/543987401.db2.gz FGCMYTHJSFDTST-ZACQAIPSSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000684394097 543992585 /nfs/dbraw/zinc/99/25/85/543992585.db2.gz WYOZZFNEGOSUCF-MUQADHOPSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000685410744 544066438 /nfs/dbraw/zinc/06/64/38/544066438.db2.gz LAYATAWLAVHUTC-UYWPIULCSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000685410744 544066440 /nfs/dbraw/zinc/06/64/40/544066440.db2.gz LAYATAWLAVHUTC-UYWPIULCSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000685410744 544066442 /nfs/dbraw/zinc/06/64/42/544066442.db2.gz LAYATAWLAVHUTC-UYWPIULCSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000685410744 544066447 /nfs/dbraw/zinc/06/64/47/544066447.db2.gz LAYATAWLAVHUTC-UYWPIULCSA-N 2 1 294.389 3.252 20 0 CGADMP CC(C)[C@H](C[NH2+]CC1Cc2ccccc2C1)[NH+]1CCCC1 ZINC000685839742 544100668 /nfs/dbraw/zinc/10/06/68/544100668.db2.gz AISKMIRQOYPGGE-IBGZPJMESA-N 2 1 286.463 3.111 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CC3(CCC3)C2)([NH+](C)C)C1 ZINC000448057137 287429546 /nfs/dbraw/zinc/42/95/46/287429546.db2.gz VQNIEVBJPNCIAA-RHSMWYFYSA-N 2 1 264.457 3.419 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652221026 418937602 /nfs/dbraw/zinc/93/76/02/418937602.db2.gz ORCKIUDNFFMJMS-OAHLLOKOSA-N 2 1 278.440 3.324 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221026 418937603 /nfs/dbraw/zinc/93/76/03/418937603.db2.gz ORCKIUDNFFMJMS-OAHLLOKOSA-N 2 1 278.440 3.324 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@@H](C)OC)C1CCCCC1 ZINC000652237644 418939392 /nfs/dbraw/zinc/93/93/92/418939392.db2.gz XQZQLDRSRPYGGS-LSDHHAIUSA-N 2 1 270.461 3.044 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](COC)C1CC1)C1CCCCC1 ZINC000652237532 418939410 /nfs/dbraw/zinc/93/94/10/418939410.db2.gz SFBIDMJTXCRXPG-KRWDZBQOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000652238179 418940310 /nfs/dbraw/zinc/94/03/10/418940310.db2.gz WFNLJRTZLASCIU-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000652343521 418955530 /nfs/dbraw/zinc/95/55/30/418955530.db2.gz PMSYWVYGOKPYJV-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363624 418958156 /nfs/dbraw/zinc/95/81/56/418958156.db2.gz JIESXEYJBMJLBT-XHSDSOJGSA-N 2 1 282.472 3.174 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652364337 418958184 /nfs/dbraw/zinc/95/81/84/418958184.db2.gz IMEDMYHYHXZZKP-CABCVRRESA-N 2 1 290.426 3.177 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc(C(C)(C)C)c1 ZINC000653298869 419025092 /nfs/dbraw/zinc/02/50/92/419025092.db2.gz OJSJTTUQQLYTCQ-ZBFHGGJFSA-N 2 1 290.451 3.175 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2c(F)cccc2F)C1 ZINC000653565598 419049564 /nfs/dbraw/zinc/04/95/64/419049564.db2.gz UYWBJKNOYUZNGM-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2c(F)cccc2F)C1 ZINC000653565598 419049568 /nfs/dbraw/zinc/04/95/68/419049568.db2.gz UYWBJKNOYUZNGM-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000653565598 419049569 /nfs/dbraw/zinc/04/95/69/419049569.db2.gz UYWBJKNOYUZNGM-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000653565598 419049572 /nfs/dbraw/zinc/04/95/72/419049572.db2.gz UYWBJKNOYUZNGM-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccccc2F)CCC1 ZINC000653776185 419082825 /nfs/dbraw/zinc/08/28/25/419082825.db2.gz VCFDVNKQLUATQS-UHFFFAOYSA-N 2 1 287.382 3.161 20 0 CGADMP COCc1csc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000665263491 419095787 /nfs/dbraw/zinc/09/57/87/419095787.db2.gz NDEPFZZOCSQRLR-CVEARBPZSA-N 2 1 288.416 3.129 20 0 CGADMP C[C@@H](CCCC[NH3+])[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000665275199 419098427 /nfs/dbraw/zinc/09/84/27/419098427.db2.gz FDDWKOGOJSCYNZ-NSHDSACASA-N 2 1 274.330 3.025 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665275491 419099510 /nfs/dbraw/zinc/09/95/10/419099510.db2.gz LWNSWVISWWJPAH-RBSFLKMASA-N 2 1 294.389 3.065 20 0 CGADMP CCCC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665277574 419099746 /nfs/dbraw/zinc/09/97/46/419099746.db2.gz FUEFRKWXFUKNPX-ARWYELJZSA-N 2 1 258.409 3.260 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903720 419108808 /nfs/dbraw/zinc/10/88/08/419108808.db2.gz HRBZREVGNSVNPU-OAHLLOKOSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903720 419108811 /nfs/dbraw/zinc/10/88/11/419108811.db2.gz HRBZREVGNSVNPU-OAHLLOKOSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2cc(C)cc(C)c21 ZINC000655694658 419067092 /nfs/dbraw/zinc/06/70/92/419067092.db2.gz IZBFRFRLERPQJG-QGZVFWFLSA-N 2 1 283.419 3.476 20 0 CGADMP CCCC[C@H](CCC)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655721624 419077181 /nfs/dbraw/zinc/07/71/81/419077181.db2.gz QTIRUYZLXYBVAR-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]1CN(Cc2cccc3nccn32)CC2(CCCCC2)O1 ZINC000656281110 419166423 /nfs/dbraw/zinc/16/64/23/419166423.db2.gz SEVXUMFSQHARJK-HNNXBMFYSA-N 2 1 299.418 3.258 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660665749 419178688 /nfs/dbraw/zinc/17/86/88/419178688.db2.gz XQZRSKQQRREEQL-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000660665749 419178691 /nfs/dbraw/zinc/17/86/91/419178691.db2.gz XQZRSKQQRREEQL-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660665749 419178694 /nfs/dbraw/zinc/17/86/94/419178694.db2.gz XQZRSKQQRREEQL-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP CCc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665887 419179339 /nfs/dbraw/zinc/17/93/39/419179339.db2.gz YRUGAYZEMXYGTA-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3ccccc3n1)C2 ZINC000660661159 419180101 /nfs/dbraw/zinc/18/01/01/419180101.db2.gz YZPIVIWIBRHTBJ-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3ccccc3n1)C2 ZINC000660661159 419180102 /nfs/dbraw/zinc/18/01/02/419180102.db2.gz YZPIVIWIBRHTBJ-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000660661159 419180104 /nfs/dbraw/zinc/18/01/04/419180104.db2.gz YZPIVIWIBRHTBJ-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000660661159 419180106 /nfs/dbraw/zinc/18/01/06/419180106.db2.gz YZPIVIWIBRHTBJ-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC1(C)C ZINC000666090028 419188882 /nfs/dbraw/zinc/18/88/82/419188882.db2.gz HDQODRGWWGOFPF-ZACQAIPSSA-N 2 1 294.483 3.044 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000655938047 419127826 /nfs/dbraw/zinc/12/78/26/419127826.db2.gz KQJYODJPTAOJLX-GOEBONIOSA-N 2 1 290.451 3.378 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)[nH]c2c1 ZINC000657374973 419263493 /nfs/dbraw/zinc/26/34/93/419263493.db2.gz BDEAJCJWNYZUOF-ZFWWWQNUSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)[nH]c2c1 ZINC000657374973 419263495 /nfs/dbraw/zinc/26/34/95/419263495.db2.gz BDEAJCJWNYZUOF-ZFWWWQNUSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc21 ZINC000657375916 419264647 /nfs/dbraw/zinc/26/46/47/419264647.db2.gz MAFNUPZAATVFBB-KGLIPLIRSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc21 ZINC000657375916 419264649 /nfs/dbraw/zinc/26/46/49/419264649.db2.gz MAFNUPZAATVFBB-KGLIPLIRSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1Br ZINC000656788097 419219350 /nfs/dbraw/zinc/21/93/50/419219350.db2.gz BIHFPELYGIGKJJ-UHFFFAOYSA-N 2 1 297.240 3.119 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(C3CCCC3)c2)CCC1 ZINC000656787118 419219630 /nfs/dbraw/zinc/21/96/30/419219630.db2.gz ULGJCKZPRDPWGT-UHFFFAOYSA-N 2 1 258.409 3.315 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC2(CCCC2)CC1 ZINC000661231700 419241929 /nfs/dbraw/zinc/24/19/29/419241929.db2.gz RZLFHTQYGJHKDN-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCCC2(CCCC2)CC1 ZINC000661231700 419241931 /nfs/dbraw/zinc/24/19/31/419241931.db2.gz RZLFHTQYGJHKDN-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000657626331 419315780 /nfs/dbraw/zinc/31/57/80/419315780.db2.gz JMGOTMBFUWFCOZ-MSOLQXFVSA-N 2 1 272.436 3.062 20 0 CGADMP c1cc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)co1 ZINC000657653065 419319710 /nfs/dbraw/zinc/31/97/10/419319710.db2.gz HUJSBASTDYKXID-UHFFFAOYSA-N 2 1 298.430 3.119 20 0 CGADMP COc1cccc(C2([NH2+]CC[C@H]3CCC[N@H+]3C)CCC2)c1 ZINC000662109028 419337010 /nfs/dbraw/zinc/33/70/10/419337010.db2.gz DTEWZCCWIWZLPE-MRXNPFEDSA-N 2 1 288.435 3.148 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H](CC)CC(F)F ZINC000662176566 419351058 /nfs/dbraw/zinc/35/10/58/419351058.db2.gz CIYACBZOALSXEO-LBPRGKRZSA-N 2 1 264.404 3.378 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H](CC)CC(F)F ZINC000662176566 419351062 /nfs/dbraw/zinc/35/10/62/419351062.db2.gz CIYACBZOALSXEO-LBPRGKRZSA-N 2 1 264.404 3.378 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)[C@@H]1CCC[NH3+] ZINC000662317924 419389353 /nfs/dbraw/zinc/38/93/53/419389353.db2.gz VRXRQSVPBZTIJU-SJLPKXTDSA-N 2 1 296.499 3.423 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc2ccncc2s1 ZINC000657891622 419413388 /nfs/dbraw/zinc/41/33/88/419413388.db2.gz TWULZJDABRBNLM-MBNYWOFBSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2ccncc2s1 ZINC000657891622 419413399 /nfs/dbraw/zinc/41/33/99/419413399.db2.gz TWULZJDABRBNLM-MBNYWOFBSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc2cnccc2o1 ZINC000657815651 419365792 /nfs/dbraw/zinc/36/57/92/419365792.db2.gz IXGIZKPDOAPZGH-LBPRGKRZSA-N 2 1 275.396 3.066 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(C)C)c2)CC[C@H]1[NH3+] ZINC000662269621 419378625 /nfs/dbraw/zinc/37/86/25/419378625.db2.gz BKQGJMARONGRAW-NVXWUHKLSA-N 2 1 260.425 3.369 20 0 CGADMP CCOC1CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000657835297 419379061 /nfs/dbraw/zinc/37/90/61/419379061.db2.gz WTHNHIFXWWTFJM-JCYILVPMSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657839031 419380871 /nfs/dbraw/zinc/38/08/71/419380871.db2.gz KCUYLYAPCQOAHL-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+]C2CC(CF)(CF)C2)([NH+](C)C)C1 ZINC000657843804 419383134 /nfs/dbraw/zinc/38/31/34/419383134.db2.gz JJSVXXOIMBABGW-CJNGLKHVSA-N 2 1 288.426 3.174 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc2cnccc2o1 ZINC000657844135 419383335 /nfs/dbraw/zinc/38/33/35/419383335.db2.gz IFLOPJDZFSGRBB-UONOGXRCSA-N 2 1 287.407 3.210 20 0 CGADMP CO[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCCCC1 ZINC000662276703 419383365 /nfs/dbraw/zinc/38/33/65/419383365.db2.gz LGSUPBKNBSPLDM-IRXDYDNUSA-N 2 1 282.472 3.079 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+]1CCc2ccccc2[C@H]1CN ZINC000662285229 419384442 /nfs/dbraw/zinc/38/44/42/419384442.db2.gz HWRAPEYAIBWHHY-IUODEOHRSA-N 2 1 282.378 3.226 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292175 419385423 /nfs/dbraw/zinc/38/54/23/419385423.db2.gz BWNFMRIZONICGM-BGTYHANMSA-N 2 1 276.468 3.134 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000662284892 419385709 /nfs/dbraw/zinc/38/57/09/419385709.db2.gz QHPPBNYKSKZWNO-AEFFLSMTSA-N 2 1 272.436 3.256 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000662284903 419386113 /nfs/dbraw/zinc/38/61/13/419386113.db2.gz QKSSCGNABZHAAP-SFHVURJKSA-N 2 1 272.436 3.256 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662284833 419386247 /nfs/dbraw/zinc/38/62/47/419386247.db2.gz PXCXZXVXTNXVJC-BBRMVZONSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663346170 419568782 /nfs/dbraw/zinc/56/87/82/419568782.db2.gz PSNJDSKMPAFSSZ-KRWDZBQOSA-N 2 1 290.426 3.346 20 0 CGADMP c1c2ccccc2[nH]c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344536 419569383 /nfs/dbraw/zinc/56/93/83/419569383.db2.gz VMYJHPFQOCOSSL-INIZCTEOSA-N 2 1 297.446 3.380 20 0 CGADMP CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663465152 419614833 /nfs/dbraw/zinc/61/48/33/419614833.db2.gz IHTFUBNKLOYNNV-WWDZGPRUSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466794 419620396 /nfs/dbraw/zinc/62/03/96/419620396.db2.gz AFWJYQKMYLASEY-HOCLYGCPSA-N 2 1 292.492 3.391 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1 ZINC000663468071 419620684 /nfs/dbraw/zinc/62/06/84/419620684.db2.gz KEXBSIIXZOJDPO-GDBMZVCRSA-N 2 1 288.435 3.165 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1 ZINC000663468071 419620694 /nfs/dbraw/zinc/62/06/94/419620694.db2.gz KEXBSIIXZOJDPO-GDBMZVCRSA-N 2 1 288.435 3.165 20 0 CGADMP C[C@@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228696 419685690 /nfs/dbraw/zinc/68/56/90/419685690.db2.gz KSEUARTZMWKSLF-RDJZCZTQSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228696 419685694 /nfs/dbraw/zinc/68/56/94/419685694.db2.gz KSEUARTZMWKSLF-RDJZCZTQSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228694 419686842 /nfs/dbraw/zinc/68/68/42/419686842.db2.gz KSEUARTZMWKSLF-DOTOQJQBSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228694 419686850 /nfs/dbraw/zinc/68/68/50/419686850.db2.gz KSEUARTZMWKSLF-DOTOQJQBSA-N 2 1 294.483 3.188 20 0 CGADMP CC1(C)C[C@]1(C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000658309979 419750811 /nfs/dbraw/zinc/75/08/11/419750811.db2.gz ZZEOWTFOLWQWPZ-SFHVURJKSA-N 2 1 272.436 3.429 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658263788 419720283 /nfs/dbraw/zinc/72/02/83/419720283.db2.gz MSEYZYWECDDOBG-LFDJNIOPSA-N 2 1 284.447 3.395 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000394262696 260378505 /nfs/dbraw/zinc/37/85/05/260378505.db2.gz KFVKWFPKWSKPDZ-RHSMWYFYSA-N 2 1 260.425 3.227 20 0 CGADMP CC(C)CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000390836083 262349747 /nfs/dbraw/zinc/34/97/47/262349747.db2.gz UPNWFZXZOGKABV-VEDBGLOESA-N 2 1 294.483 3.041 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000036907996 270028356 /nfs/dbraw/zinc/02/83/56/270028356.db2.gz UKEUGKKNKDGJMS-YCPHGPKFSA-N 2 1 250.430 3.195 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000044534553 270035918 /nfs/dbraw/zinc/03/59/18/270035918.db2.gz ARLLDTDNEKWUOM-NVXWUHKLSA-N 2 1 260.425 3.378 20 0 CGADMP COc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)ccc2c1 ZINC000105480835 270047391 /nfs/dbraw/zinc/04/73/91/270047391.db2.gz SOJGQQIRUVORKB-KUHUBIRLSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000105480816 270047415 /nfs/dbraw/zinc/04/74/15/270047415.db2.gz JDTBKFNTSCXPBX-KDOFPFPSSA-N 2 1 268.404 3.270 20 0 CGADMP CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183124857 270054929 /nfs/dbraw/zinc/05/49/29/270054929.db2.gz KIRUOAJBNHFFLU-OKZBNKHCSA-N 2 1 272.436 3.287 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+](C)C ZINC000186982799 270067579 /nfs/dbraw/zinc/06/75/79/270067579.db2.gz GTKURHZPXOSGGR-BBRMVZONSA-N 2 1 286.529 3.474 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000251890006 270091471 /nfs/dbraw/zinc/09/14/71/270091471.db2.gz RTKDQNTZIOBRIS-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000525991058 270121916 /nfs/dbraw/zinc/12/19/16/270121916.db2.gz AJVXQQPYVIQVCK-CQSZACIVSA-N 2 1 282.378 3.446 20 0 CGADMP CC[C@@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000527115794 270125842 /nfs/dbraw/zinc/12/58/42/270125842.db2.gz KVDFMWAMBHTAJD-PBHICJAKSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@@H]1CC12CC2 ZINC000527841940 270138888 /nfs/dbraw/zinc/13/88/88/270138888.db2.gz HFTUUGKVPVDYME-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527855633 270139935 /nfs/dbraw/zinc/13/99/35/270139935.db2.gz YXQIIDPJIULETB-VQIMIIECSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527892525 270142322 /nfs/dbraw/zinc/14/23/22/270142322.db2.gz GBMOKLURAAWJHX-SZMVWBNQSA-N 2 1 284.447 3.287 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)C[NH+](C)C ZINC000527899834 270143093 /nfs/dbraw/zinc/14/30/93/270143093.db2.gz FZUYPBDWRKJIGD-BMIGLBTASA-N 2 1 284.806 3.254 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000529526894 270182652 /nfs/dbraw/zinc/18/26/52/270182652.db2.gz ALGWNOPFPSEYMB-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC000529526894 270182653 /nfs/dbraw/zinc/18/26/53/270182653.db2.gz ALGWNOPFPSEYMB-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH+]1C ZINC000529526894 270182654 /nfs/dbraw/zinc/18/26/54/270182654.db2.gz ALGWNOPFPSEYMB-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH+]1C ZINC000529526894 270182655 /nfs/dbraw/zinc/18/26/55/270182655.db2.gz ALGWNOPFPSEYMB-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[NH+](Cc1ccc2cc[nH]c2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000529565395 270185064 /nfs/dbraw/zinc/18/50/64/270185064.db2.gz JCGFGPGEOPWTCV-SJPCQFCGSA-N 2 1 283.419 3.225 20 0 CGADMP C[NH+](Cc1ccc2cc[nH]c2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000529565395 270185065 /nfs/dbraw/zinc/18/50/65/270185065.db2.gz JCGFGPGEOPWTCV-SJPCQFCGSA-N 2 1 283.419 3.225 20 0 CGADMP FC(F)(F)c1cccc2c1C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000530232804 270196805 /nfs/dbraw/zinc/19/68/05/270196805.db2.gz BDSKMJKRFCOONX-LBPRGKRZSA-N 2 1 298.352 3.063 20 0 CGADMP CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000532508783 270216652 /nfs/dbraw/zinc/21/66/52/270216652.db2.gz HTMVDENZUNUGQU-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCC[NH+]1CC(C)C[N@@H+]1CCC[C@H]1CC ZINC000533287171 270223071 /nfs/dbraw/zinc/22/30/71/270223071.db2.gz UNGKUOMOTGVBGD-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414813598 273605759 /nfs/dbraw/zinc/60/57/59/273605759.db2.gz MQLHOYHMGNQUBF-CABCVRRESA-N 2 1 299.462 3.441 20 0 CGADMP C[NH+](C)C1(CNc2cc[nH+]c3ccsc32)CCC1 ZINC000445608990 273791866 /nfs/dbraw/zinc/79/18/66/273791866.db2.gz QHYXNVMDXJENBJ-UHFFFAOYSA-N 2 1 261.394 3.193 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273435705 273869774 /nfs/dbraw/zinc/86/97/74/273869774.db2.gz WXHYJXZLEHQRGO-MRXNPFEDSA-N 2 1 278.827 3.401 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423324095 287711412 /nfs/dbraw/zinc/71/14/12/287711412.db2.gz HXVONQGMDSJLNB-LBTBCDHLSA-N 2 1 290.451 3.165 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C[NH3+])CC(C)C ZINC000423264641 274122625 /nfs/dbraw/zinc/12/26/25/274122625.db2.gz PZPPODJSYWOIHZ-WMLDXEAASA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000163490739 274303253 /nfs/dbraw/zinc/30/32/53/274303253.db2.gz QJCOAPUXAGGHGR-OLZOCXBDSA-N 2 1 274.433 3.318 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000252709226 274334934 /nfs/dbraw/zinc/33/49/34/274334934.db2.gz CIXKQOKLYUTQRJ-KYJSFNMBSA-N 2 1 272.436 3.036 20 0 CGADMP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414859223 275066839 /nfs/dbraw/zinc/06/68/39/275066839.db2.gz AQIAVYLTAKPWOJ-OKZBNKHCSA-N 2 1 272.436 3.130 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000338300270 276096771 /nfs/dbraw/zinc/09/67/71/276096771.db2.gz ZMUSECACNHYOBI-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CC1(C)CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000311424934 276101824 /nfs/dbraw/zinc/10/18/24/276101824.db2.gz BJQZBJSCHJUVRH-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000360253371 276151547 /nfs/dbraw/zinc/15/15/47/276151547.db2.gz SFDIQBSWURGIQD-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000516449712 276264666 /nfs/dbraw/zinc/26/46/66/276264666.db2.gz KSJOKMZEHIUYSB-CMPLNLGQSA-N 2 1 270.467 3.263 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414824302 276266903 /nfs/dbraw/zinc/26/69/03/276266903.db2.gz JZSPSBZNVCEGOW-IRXDYDNUSA-N 2 1 260.425 3.302 20 0 CGADMP CCO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423086588 276358681 /nfs/dbraw/zinc/35/86/81/276358681.db2.gz MGLHYJMHVVKZAI-GBESFXJTSA-N 2 1 296.414 3.499 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278952608 287900890 /nfs/dbraw/zinc/90/08/90/287900890.db2.gz LMTIISBDKMTJGY-GJZGRUSLSA-N 2 1 299.418 3.113 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000462105621 277031000 /nfs/dbraw/zinc/03/10/00/277031000.db2.gz PMFUSCZQZZEHEM-WCQYABFASA-N 2 1 278.362 3.039 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483242066 277060269 /nfs/dbraw/zinc/06/02/69/277060269.db2.gz JYDOGORAFYXRRP-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483242066 277060270 /nfs/dbraw/zinc/06/02/70/277060270.db2.gz JYDOGORAFYXRRP-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483242066 277060271 /nfs/dbraw/zinc/06/02/71/277060271.db2.gz JYDOGORAFYXRRP-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000459785655 277073480 /nfs/dbraw/zinc/07/34/80/277073480.db2.gz PAJWJFALOHHTPK-HZSPNIEDSA-N 2 1 292.389 3.429 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414831159 277484013 /nfs/dbraw/zinc/48/40/13/277484013.db2.gz CBNYZSOAUNUFLT-QJPTWQEYSA-N 2 1 266.351 3.071 20 0 CGADMP CC(C)=CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907491 288000798 /nfs/dbraw/zinc/00/07/98/288000798.db2.gz IZXABYHTRPTYBN-RTBURBONSA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)=CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907491 288000799 /nfs/dbraw/zinc/00/07/99/288000799.db2.gz IZXABYHTRPTYBN-RTBURBONSA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)=CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907491 288000801 /nfs/dbraw/zinc/00/08/01/288000801.db2.gz IZXABYHTRPTYBN-RTBURBONSA-N 2 1 284.447 3.407 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](C[NH2+]C)C2)C1 ZINC000394613774 288002750 /nfs/dbraw/zinc/00/27/50/288002750.db2.gz JXLZDLFGQOJKPY-PMPSAXMXSA-N 2 1 252.446 3.134 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCC3CCCCC3)C[C@@H]12 ZINC000395105046 288005706 /nfs/dbraw/zinc/00/57/06/288005706.db2.gz KPFSTGGUXXRNCQ-BZUAXINKSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000346537585 278168007 /nfs/dbraw/zinc/16/80/07/278168007.db2.gz RTJOBKMTFNBANU-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000346537585 278168010 /nfs/dbraw/zinc/16/80/10/278168010.db2.gz RTJOBKMTFNBANU-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC000337458805 278188439 /nfs/dbraw/zinc/18/84/39/278188439.db2.gz JTHDMWBCPUMPQC-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000397306104 288023047 /nfs/dbraw/zinc/02/30/47/288023047.db2.gz MSCJYZBICYBMGT-OUAUKWLOSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000397306104 288023049 /nfs/dbraw/zinc/02/30/49/288023049.db2.gz MSCJYZBICYBMGT-OUAUKWLOSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798397 278224757 /nfs/dbraw/zinc/22/47/57/278224757.db2.gz XOTPNQHNYKPGBA-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccccc1 ZINC000397425115 288023759 /nfs/dbraw/zinc/02/37/59/288023759.db2.gz XBCVCYFDWCYFMI-ANQUJSFKSA-N 2 1 260.425 3.095 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c2ccccc2n1 ZINC000397432808 288023771 /nfs/dbraw/zinc/02/37/71/288023771.db2.gz FOQGWAKFFUDORN-LXZKKBNFSA-N 2 1 297.446 3.348 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000397438506 288023859 /nfs/dbraw/zinc/02/38/59/288023859.db2.gz HMIDJXBOUXDRFE-IIAWOOMASA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000397438506 288023861 /nfs/dbraw/zinc/02/38/61/288023861.db2.gz HMIDJXBOUXDRFE-IIAWOOMASA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000249953572 278258551 /nfs/dbraw/zinc/25/85/51/278258551.db2.gz IYYZTIBMMBHIAH-ILXRZTDVSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000249953572 278258552 /nfs/dbraw/zinc/25/85/52/278258552.db2.gz IYYZTIBMMBHIAH-ILXRZTDVSA-N 2 1 284.513 3.228 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000397696813 288027670 /nfs/dbraw/zinc/02/76/70/288027670.db2.gz FSTWVSAHPGNUAW-IZZQQSIFSA-N 2 1 284.447 3.082 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC(F)(F)CC1 ZINC000353285183 278282933 /nfs/dbraw/zinc/28/29/33/278282933.db2.gz ATLAEDUYVVXWIB-AEGPPILISA-N 2 1 286.410 3.417 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)[NH+]1CCCC1 ZINC000397753896 288029470 /nfs/dbraw/zinc/02/94/70/288029470.db2.gz PZWYLKCYCTUZAF-ILXRZTDVSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C(C)(C)c1ccccc1 ZINC000415081209 278347781 /nfs/dbraw/zinc/34/77/81/278347781.db2.gz KBFAPVOHDNDJCO-CQSZACIVSA-N 2 1 262.441 3.330 20 0 CGADMP Cc1csc([C@@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)n1 ZINC000359227582 279045977 /nfs/dbraw/zinc/04/59/77/279045977.db2.gz WQUNENKYTSGFRK-HNNXBMFYSA-N 2 1 293.480 3.368 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000245391205 288104610 /nfs/dbraw/zinc/10/46/10/288104610.db2.gz PBZITTRBJPIWSN-UXOAXIEHSA-N 2 1 278.465 3.444 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000049551732 279257764 /nfs/dbraw/zinc/25/77/64/279257764.db2.gz HJKIQOFGXZHOOI-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423513988 279272289 /nfs/dbraw/zinc/27/22/89/279272289.db2.gz WCFTYKIDTZKBGV-SJKOYZFVSA-N 2 1 296.405 3.393 20 0 CGADMP Cc1sc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nc1C(C)C ZINC000422714488 279283630 /nfs/dbraw/zinc/28/36/30/279283630.db2.gz RDJGVCOTGVJDLX-CHWSQXEVSA-N 2 1 281.469 3.182 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000296534837 279347086 /nfs/dbraw/zinc/34/70/86/279347086.db2.gz SWDSOJPTIWVATP-OLZOCXBDSA-N 2 1 294.389 3.142 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000353578424 279383640 /nfs/dbraw/zinc/38/36/40/279383640.db2.gz RHRBOIMCLCNFPC-MNOVXSKESA-N 2 1 254.340 3.036 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000353578424 279383645 /nfs/dbraw/zinc/38/36/45/279383645.db2.gz RHRBOIMCLCNFPC-MNOVXSKESA-N 2 1 254.340 3.036 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)cn1 ZINC000527641121 288179424 /nfs/dbraw/zinc/17/94/24/288179424.db2.gz KXGDKDFJKDKBDJ-DQYPLSBCSA-N 2 1 296.418 3.100 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527664380 288185246 /nfs/dbraw/zinc/18/52/46/288185246.db2.gz DPPZCDDWRAQJHF-NWDGAFQWSA-N 2 1 262.388 3.130 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652732 288211770 /nfs/dbraw/zinc/21/17/70/288211770.db2.gz WHVRNUUBTSMFSZ-SJLPKXTDSA-N 2 1 287.451 3.387 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652732 288211772 /nfs/dbraw/zinc/21/17/72/288211772.db2.gz WHVRNUUBTSMFSZ-SJLPKXTDSA-N 2 1 287.451 3.387 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368752912 280270320 /nfs/dbraw/zinc/27/03/20/280270320.db2.gz FSHXGMDFJDWCPU-QRVBRYPASA-N 2 1 286.463 3.470 20 0 CGADMP Cc1c[nH+]ccc1NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000359540870 280281507 /nfs/dbraw/zinc/28/15/07/280281507.db2.gz HYWPMEUFTQEBKV-INIZCTEOSA-N 2 1 283.419 3.134 20 0 CGADMP CC[C@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422909708 280934429 /nfs/dbraw/zinc/93/44/29/280934429.db2.gz OUVSHVFWWHKXDG-HOTGVXAUSA-N 2 1 290.476 3.432 20 0 CGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000423391380 281001820 /nfs/dbraw/zinc/00/18/20/281001820.db2.gz PGTPAWULJZZZHF-KGLIPLIRSA-N 2 1 250.430 3.077 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C)ccc1OC ZINC000530407264 288305246 /nfs/dbraw/zinc/30/52/46/288305246.db2.gz JBWIROLNJBPHGV-MRXNPFEDSA-N 2 1 287.407 3.021 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000530410804 288305637 /nfs/dbraw/zinc/30/56/37/288305637.db2.gz MJIPOJSTTPPUBP-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000530410804 288305639 /nfs/dbraw/zinc/30/56/39/288305639.db2.gz MJIPOJSTTPPUBP-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000530410804 288305643 /nfs/dbraw/zinc/30/56/43/288305643.db2.gz MJIPOJSTTPPUBP-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000532197698 288354896 /nfs/dbraw/zinc/35/48/96/288354896.db2.gz YLADPLJKIVOSCA-GOSISDBHSA-N 2 1 274.452 3.459 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C(C)C ZINC000532197698 288354897 /nfs/dbraw/zinc/35/48/97/288354897.db2.gz YLADPLJKIVOSCA-GOSISDBHSA-N 2 1 274.452 3.459 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532463478 288362849 /nfs/dbraw/zinc/36/28/49/288362849.db2.gz BDTFWIXEMPDUID-SJLPKXTDSA-N 2 1 274.452 3.432 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCC3)CCCCC1 ZINC000337383317 282045980 /nfs/dbraw/zinc/04/59/80/282045980.db2.gz FUWQLHMAVNVIKI-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCCCCC1 ZINC000542477416 288754010 /nfs/dbraw/zinc/75/40/10/288754010.db2.gz ILRRZMCWWRPOQU-XJKSGUPXSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1[nH+]c2ccccc2c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000548791379 289022802 /nfs/dbraw/zinc/02/28/02/289022802.db2.gz JPCGFQORBVYGOY-DZGCQCFKSA-N 2 1 297.446 3.422 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000548794078 289023456 /nfs/dbraw/zinc/02/34/56/289023456.db2.gz VJSSRURLAWAEOA-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000548794078 289023457 /nfs/dbraw/zinc/02/34/57/289023457.db2.gz VJSSRURLAWAEOA-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CCC[N@@H+](CCC[NH+](CC)CC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000548918425 289029066 /nfs/dbraw/zinc/02/90/66/289029066.db2.gz RIKVWKZCRWOAOI-BRWVUGGUSA-N 2 1 296.499 3.244 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCCC1 ZINC000474033288 289059989 /nfs/dbraw/zinc/05/99/89/289059989.db2.gz KZKCTDQFOYYKSR-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C(C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C(C)C ZINC000551557959 289122302 /nfs/dbraw/zinc/12/23/02/289122302.db2.gz DHGMJPSJFPKVIK-OAHLLOKOSA-N 2 1 254.462 3.188 20 0 CGADMP CC(C)C(C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000551557959 289122304 /nfs/dbraw/zinc/12/23/04/289122304.db2.gz DHGMJPSJFPKVIK-OAHLLOKOSA-N 2 1 254.462 3.188 20 0 CGADMP CC(C)C(C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000551557959 289122305 /nfs/dbraw/zinc/12/23/05/289122305.db2.gz DHGMJPSJFPKVIK-OAHLLOKOSA-N 2 1 254.462 3.188 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552111345 289164383 /nfs/dbraw/zinc/16/43/83/289164383.db2.gz YOIMUVZVIRXQAM-GDBMZVCRSA-N 2 1 278.465 3.097 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552111345 289164384 /nfs/dbraw/zinc/16/43/84/289164384.db2.gz YOIMUVZVIRXQAM-GDBMZVCRSA-N 2 1 278.465 3.097 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552111345 289164385 /nfs/dbraw/zinc/16/43/85/289164385.db2.gz YOIMUVZVIRXQAM-GDBMZVCRSA-N 2 1 278.465 3.097 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000554384904 289280284 /nfs/dbraw/zinc/28/02/84/289280284.db2.gz NQXWFPRZDSJJFI-HYVNUMGLSA-N 2 1 264.457 3.133 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1Cl)CC1CC[NH+](C)CC1 ZINC000555098815 289328072 /nfs/dbraw/zinc/32/80/72/289328072.db2.gz BPOWELQSCBIFHC-UHFFFAOYSA-N 2 1 298.833 3.295 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000556385500 289388898 /nfs/dbraw/zinc/38/88/98/289388898.db2.gz ITSVQLGROQTDAT-OAHLLOKOSA-N 2 1 254.462 3.236 20 0 CGADMP CC1=CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000560491268 289596191 /nfs/dbraw/zinc/59/61/91/289596191.db2.gz JGETWTWYMQALQW-QGZVFWFLSA-N 2 1 292.467 3.110 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261661313 290224855 /nfs/dbraw/zinc/22/48/55/290224855.db2.gz KOCHILQDRHCFMN-KWCYVHTRSA-N 2 1 298.352 3.308 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251578522 290262656 /nfs/dbraw/zinc/26/26/56/290262656.db2.gz VSNMSXGJNKQEQO-YNEHKIRRSA-N 2 1 266.816 3.460 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000346894764 292810463 /nfs/dbraw/zinc/81/04/63/292810463.db2.gz ZAAOIPHKOIYULD-JKSUJKDBSA-N 2 1 275.440 3.305 20 0 CGADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423087456 293164892 /nfs/dbraw/zinc/16/48/92/293164892.db2.gz ODFQTCZJBXOSMZ-XPKDYRNWSA-N 2 1 296.842 3.005 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000388747298 328205673 /nfs/dbraw/zinc/20/56/73/328205673.db2.gz JXQIUGGKUTXEGH-HZPDHXFCSA-N 2 1 262.441 3.326 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000388747298 328205674 /nfs/dbraw/zinc/20/56/74/328205674.db2.gz JXQIUGGKUTXEGH-HZPDHXFCSA-N 2 1 262.441 3.326 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000159301525 321832382 /nfs/dbraw/zinc/83/23/82/321832382.db2.gz UQZSJSUOQJLTIZ-GJZGRUSLSA-N 2 1 290.451 3.261 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000563828742 322011874 /nfs/dbraw/zinc/01/18/74/322011874.db2.gz DJKRXGKDPZMMHR-YARHPZGWSA-N 2 1 284.447 3.428 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000564569775 322034640 /nfs/dbraw/zinc/03/46/40/322034640.db2.gz CLWLGGLEGPVZQK-INMHGKMJSA-N 2 1 260.425 3.095 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000565357380 322074373 /nfs/dbraw/zinc/07/43/73/322074373.db2.gz NTEXKGJMQUXCIV-LBPRGKRZSA-N 2 1 254.805 3.379 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000565834118 322093315 /nfs/dbraw/zinc/09/33/15/322093315.db2.gz YCKZDESGDMVMLH-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000566225816 322110195 /nfs/dbraw/zinc/11/01/95/322110195.db2.gz OKXIOOFNZYPELB-UHFFFAOYSA-N 2 1 278.396 3.335 20 0 CGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566424532 322122443 /nfs/dbraw/zinc/12/24/43/322122443.db2.gz NBRKAIXUINLIHU-NEPJUHHUSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000566424532 322122444 /nfs/dbraw/zinc/12/24/44/322122444.db2.gz NBRKAIXUINLIHU-NEPJUHHUSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000566846651 322140447 /nfs/dbraw/zinc/14/04/47/322140447.db2.gz IITJVUSKEQMLNV-BBRMVZONSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624444 322170734 /nfs/dbraw/zinc/17/07/34/322170734.db2.gz PITQMBZMJOCIGF-RISCZKNCSA-N 2 1 281.469 3.065 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000567639428 322171535 /nfs/dbraw/zinc/17/15/35/322171535.db2.gz OPWUVRZPINGQFD-GFCCVEGCSA-N 2 1 276.380 3.092 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1sccc1Br ZINC000567638917 322171554 /nfs/dbraw/zinc/17/15/54/322171554.db2.gz VJADTZWPHJRCDW-DTWKUNHWSA-N 2 1 291.258 3.017 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1sccc1Br ZINC000567638919 322171630 /nfs/dbraw/zinc/17/16/30/322171630.db2.gz VJADTZWPHJRCDW-RKDXNWHRSA-N 2 1 291.258 3.017 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889825 322182008 /nfs/dbraw/zinc/18/20/08/322182008.db2.gz YSEDEPRSUGVHNF-IRXDYDNUSA-N 2 1 290.838 3.403 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889825 322182010 /nfs/dbraw/zinc/18/20/10/322182010.db2.gz YSEDEPRSUGVHNF-IRXDYDNUSA-N 2 1 290.838 3.403 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]2CCCC[C@@H]12 ZINC000568748688 322220849 /nfs/dbraw/zinc/22/08/49/322220849.db2.gz AOIQBPBZRYZOKG-HYVNUMGLSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000568917723 322227769 /nfs/dbraw/zinc/22/77/69/322227769.db2.gz DHZKBBWYWIVZED-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000568917723 322227772 /nfs/dbraw/zinc/22/77/72/322227772.db2.gz DHZKBBWYWIVZED-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000568917723 322227776 /nfs/dbraw/zinc/22/77/76/322227776.db2.gz DHZKBBWYWIVZED-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000569265125 322241586 /nfs/dbraw/zinc/24/15/86/322241586.db2.gz QUEQQSRHVDONFU-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569605544 322251658 /nfs/dbraw/zinc/25/16/58/322251658.db2.gz MBZKCDSHHFBUET-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569605544 322251660 /nfs/dbraw/zinc/25/16/60/322251660.db2.gz MBZKCDSHHFBUET-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)o1 ZINC000570199961 322267485 /nfs/dbraw/zinc/26/74/85/322267485.db2.gz KPGBPDDQVVLMJK-USACIQFYSA-N 2 1 288.435 3.413 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000570624377 322278073 /nfs/dbraw/zinc/27/80/73/322278073.db2.gz HEQHMTXLOWDKKN-JTQLQIEISA-N 2 1 258.768 3.129 20 0 CGADMP Cc1cc(Br)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000570965481 322286450 /nfs/dbraw/zinc/28/64/50/322286450.db2.gz ITLPNKRRAADXIO-SFYZADRCSA-N 2 1 291.258 3.034 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000571257437 322294178 /nfs/dbraw/zinc/29/41/78/322294178.db2.gz MEGNANVTMIBLND-KSZLIROESA-N 2 1 290.426 3.379 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000571573593 322302257 /nfs/dbraw/zinc/30/22/57/322302257.db2.gz WGVYBIUKUCOMRR-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000571573593 322302259 /nfs/dbraw/zinc/30/22/59/322302259.db2.gz WGVYBIUKUCOMRR-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCC1)C[NH2+]CC2 ZINC000571572398 322302339 /nfs/dbraw/zinc/30/23/39/322302339.db2.gz LGOTZPSMEZRNLW-SFHVURJKSA-N 2 1 270.420 3.097 20 0 CGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000572879813 322359171 /nfs/dbraw/zinc/35/91/71/322359171.db2.gz YPUCYZDVKJWFDI-BDAKNGLRSA-N 2 1 291.222 3.217 20 0 CGADMP CCc1nc(C)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000572937341 322361939 /nfs/dbraw/zinc/36/19/39/322361939.db2.gz YPPLJOVZEBDEGS-UHFFFAOYSA-N 2 1 293.455 3.098 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCC[C@@H](C)C1 ZINC000573218081 322376667 /nfs/dbraw/zinc/37/66/67/322376667.db2.gz ZLBAHUSZQHJMRZ-ILXRZTDVSA-N 2 1 263.429 3.157 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCc2ccc(F)cc2Cl)CC1 ZINC000573375713 322384969 /nfs/dbraw/zinc/38/49/69/322384969.db2.gz QONRLLUEYNCHES-UHFFFAOYSA-N 2 1 298.833 3.438 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCc2ccc(F)cc2Cl)CC1 ZINC000573375713 322384970 /nfs/dbraw/zinc/38/49/70/322384970.db2.gz QONRLLUEYNCHES-UHFFFAOYSA-N 2 1 298.833 3.438 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC1Cc2ccccc2C1 ZINC000573497251 322390946 /nfs/dbraw/zinc/39/09/46/322390946.db2.gz YUGNYIZQIFJFDB-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP Cc1ccccc1[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000573860088 322411087 /nfs/dbraw/zinc/41/10/87/322411087.db2.gz MACAOESGWQIIIR-GOSISDBHSA-N 2 1 283.419 3.402 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnc3ccccc23)C1 ZINC000582741391 329134608 /nfs/dbraw/zinc/13/46/08/329134608.db2.gz GFBVFZWHEAMBDD-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccs2)[C@@H]2CCC[C@H]21 ZINC000576774450 335246832 /nfs/dbraw/zinc/24/68/32/335246832.db2.gz SPRZHXKEGGMOMF-HRCADAONSA-N 2 1 278.465 3.143 20 0 CGADMP COc1ccc(-c2ccccc2C)cc1C[N@H+](C)CCC[NH3+] ZINC000576942837 335267370 /nfs/dbraw/zinc/26/73/70/335267370.db2.gz MCOZWJDAEGDLHP-UHFFFAOYSA-N 2 1 298.430 3.451 20 0 CGADMP COc1ccc(-c2ccccc2C)cc1C[N@@H+](C)CCC[NH3+] ZINC000576942837 335267371 /nfs/dbraw/zinc/26/73/71/335267371.db2.gz MCOZWJDAEGDLHP-UHFFFAOYSA-N 2 1 298.430 3.451 20 0 CGADMP Cc1cccc(C2=CC[N@H+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000576954839 335269283 /nfs/dbraw/zinc/26/92/83/335269283.db2.gz ZGZNOXBNWOVOMZ-UHFFFAOYSA-N 2 1 295.430 3.450 20 0 CGADMP Cc1cccc(C2=CC[N@@H+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000576954839 335269284 /nfs/dbraw/zinc/26/92/84/335269284.db2.gz ZGZNOXBNWOVOMZ-UHFFFAOYSA-N 2 1 295.430 3.450 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000577125211 335305039 /nfs/dbraw/zinc/30/50/39/335305039.db2.gz OALLSULWXGVNAA-STQMWFEESA-N 2 1 261.413 3.216 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000577583335 335373120 /nfs/dbraw/zinc/37/31/20/335373120.db2.gz IEPGFQGQQOFCBN-DOTOQJQBSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000577583335 335373121 /nfs/dbraw/zinc/37/31/21/335373121.db2.gz IEPGFQGQQOFCBN-DOTOQJQBSA-N 2 1 272.436 3.397 20 0 CGADMP Cn1cncc1CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000577741977 335395118 /nfs/dbraw/zinc/39/51/18/335395118.db2.gz PFAVDYSGUJFPIC-UHFFFAOYSA-N 2 1 289.345 3.017 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000577741977 335395120 /nfs/dbraw/zinc/39/51/20/335395120.db2.gz PFAVDYSGUJFPIC-UHFFFAOYSA-N 2 1 289.345 3.017 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000577741977 335395123 /nfs/dbraw/zinc/39/51/23/335395123.db2.gz PFAVDYSGUJFPIC-UHFFFAOYSA-N 2 1 289.345 3.017 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000181809572 335786380 /nfs/dbraw/zinc/78/63/80/335786380.db2.gz XBJOOCXQMABXLC-JKSUJKDBSA-N 2 1 293.455 3.155 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000184499959 335927453 /nfs/dbraw/zinc/92/74/53/335927453.db2.gz REHORRGGTYKMPE-JKSUJKDBSA-N 2 1 292.471 3.379 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCCC12CC2)[NH+]1CCCC1 ZINC000581141812 336014897 /nfs/dbraw/zinc/01/48/97/336014897.db2.gz AXWCRARNDCTYAS-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380937484 336039933 /nfs/dbraw/zinc/03/99/33/336039933.db2.gz KPZOAHZYGIBRRF-DLBZAZTESA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCCCCC2)C[C@H](C)O1 ZINC000195250559 336050405 /nfs/dbraw/zinc/05/04/05/336050405.db2.gz MFWLWFUHEJAEOV-IYBDPMFKSA-N 2 1 282.472 3.188 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381472540 336066167 /nfs/dbraw/zinc/06/61/67/336066167.db2.gz LQDCTWQVVRWOEO-CYBMUJFWSA-N 2 1 254.443 3.439 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000581575564 336105246 /nfs/dbraw/zinc/10/52/46/336105246.db2.gz VTMCZEYPMFOSBO-SFHVURJKSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423515831 533810931 /nfs/dbraw/zinc/81/09/31/533810931.db2.gz VUYQQFBPOCYBHO-KLAILNCOSA-N 2 1 295.515 3.007 20 0 CGADMP COc1cccc2c(C[NH2+]C3CC[NH+](C)CC3)cccc12 ZINC000449064709 533836211 /nfs/dbraw/zinc/83/62/11/533836211.db2.gz WEXDSSVYZKJEHN-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1N(C)C ZINC000423264293 533995273 /nfs/dbraw/zinc/99/52/73/533995273.db2.gz PUDYTWWHKZFENT-WMLDXEAASA-N 2 1 289.467 3.311 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000428058048 534215320 /nfs/dbraw/zinc/21/53/20/534215320.db2.gz XWJVCZZUZWYQFO-WBVHZDCISA-N 2 1 290.476 3.079 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000428058048 534215325 /nfs/dbraw/zinc/21/53/25/534215325.db2.gz XWJVCZZUZWYQFO-WBVHZDCISA-N 2 1 290.476 3.079 20 0 CGADMP Cc1cc[nH+]c(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000425246262 534401722 /nfs/dbraw/zinc/40/17/22/534401722.db2.gz YBJMAMSGEYHNIN-HNNXBMFYSA-N 2 1 296.418 3.423 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)c2ccccc2n1 ZINC000337276701 524661752 /nfs/dbraw/zinc/66/17/52/524661752.db2.gz QZXBSBONFXXYEQ-UHFFFAOYSA-N 2 1 297.446 3.461 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c2ccccc2n1 ZINC000337276701 524661763 /nfs/dbraw/zinc/66/17/63/524661763.db2.gz QZXBSBONFXXYEQ-UHFFFAOYSA-N 2 1 297.446 3.461 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156091990 525011690 /nfs/dbraw/zinc/01/16/90/525011690.db2.gz MEDYTTBUBNKYSQ-BXUZGUMPSA-N 2 1 268.351 3.183 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2)[C@H](C)C1 ZINC000174780208 527753430 /nfs/dbraw/zinc/75/34/30/527753430.db2.gz KHHWQJILERKMPO-SJLPKXTDSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2)[C@H](C)C1 ZINC000174780208 527753433 /nfs/dbraw/zinc/75/34/33/527753433.db2.gz KHHWQJILERKMPO-SJLPKXTDSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2)[C@H](C)C1 ZINC000174780208 527753437 /nfs/dbraw/zinc/75/34/37/527753437.db2.gz KHHWQJILERKMPO-SJLPKXTDSA-N 2 1 274.452 3.281 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)C12CCCC2 ZINC000359214370 527802034 /nfs/dbraw/zinc/80/20/34/527802034.db2.gz IRZUCKMPSZBIDJ-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449037714 527819755 /nfs/dbraw/zinc/81/97/55/527819755.db2.gz OJCFSURXGMYGHK-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449037714 527819759 /nfs/dbraw/zinc/81/97/59/527819759.db2.gz OJCFSURXGMYGHK-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449037714 527819762 /nfs/dbraw/zinc/81/97/62/527819762.db2.gz OJCFSURXGMYGHK-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(OC)CCCC2)c1 ZINC000359770159 527845599 /nfs/dbraw/zinc/84/55/99/527845599.db2.gz SWJSBRHWKUXUKG-UHFFFAOYSA-N 2 1 290.451 3.187 20 0 CGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359193336 528062890 /nfs/dbraw/zinc/06/28/90/528062890.db2.gz QRRIBTMIEGKBRD-UHFFFAOYSA-N 2 1 260.425 3.288 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cnccc2C(C)(C)C)CC1 ZINC000414228414 528204113 /nfs/dbraw/zinc/20/41/13/528204113.db2.gz LRALYDHEPLBQNU-UHFFFAOYSA-N 2 1 289.467 3.343 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422880199 528246291 /nfs/dbraw/zinc/24/62/91/528246291.db2.gz WNTYPNNWWHPGKE-HOTGVXAUSA-N 2 1 276.424 3.143 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)[C@@H]2CC2(C)C)C1 ZINC000414069910 528260903 /nfs/dbraw/zinc/26/09/03/528260903.db2.gz KSWXMUHVUXWXLE-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)C2CCCC2)C1 ZINC000449095361 528262457 /nfs/dbraw/zinc/26/24/57/528262457.db2.gz XYEYENKWIPDWTO-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423274948 528310300 /nfs/dbraw/zinc/31/03/00/528310300.db2.gz MPIPIXWHTPYXIT-FZMZJTMJSA-N 2 1 299.256 3.473 20 0 CGADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423436456 528329192 /nfs/dbraw/zinc/32/91/92/528329192.db2.gz PPONJBZBJDXXOD-DANNLKNASA-N 2 1 276.449 3.056 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367614224 528462686 /nfs/dbraw/zinc/46/26/86/528462686.db2.gz FWHJNAATAYNGLM-KURKYZTESA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccccc1C(F)(F)F ZINC000415086180 528554836 /nfs/dbraw/zinc/55/48/36/528554836.db2.gz RIUCKCLUHAAKDW-LBPRGKRZSA-N 2 1 274.330 3.168 20 0 CGADMP CC[N@H+](CCc1cccs1)CCC1CC[NH2+]CC1 ZINC000359191906 528597208 /nfs/dbraw/zinc/59/72/08/528597208.db2.gz OUEOLGBWOIYYQD-UHFFFAOYSA-N 2 1 266.454 3.002 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000084194264 528650121 /nfs/dbraw/zinc/65/01/21/528650121.db2.gz TVSIEWRBFYUPIH-SFHVURJKSA-N 2 1 272.436 3.071 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)C2)[C@H](C)C1 ZINC000359040628 528669331 /nfs/dbraw/zinc/66/93/31/528669331.db2.gz ZPNLUKLZTUWWTM-MLHJIOFPSA-N 2 1 296.499 3.149 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427101760 528673498 /nfs/dbraw/zinc/67/34/98/528673498.db2.gz QDHYVSSKPAZQHU-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427101760 528673502 /nfs/dbraw/zinc/67/35/02/528673502.db2.gz QDHYVSSKPAZQHU-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424378484 528726103 /nfs/dbraw/zinc/72/61/03/528726103.db2.gz STOBALKJADOWPI-IAOVAPTHSA-N 2 1 276.424 3.396 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc2ccoc21 ZINC000449075739 528817895 /nfs/dbraw/zinc/81/78/95/528817895.db2.gz RWSYQGLYTJMXSD-UHFFFAOYSA-N 2 1 260.381 3.253 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc2ccoc21 ZINC000449075739 528817899 /nfs/dbraw/zinc/81/78/99/528817899.db2.gz RWSYQGLYTJMXSD-UHFFFAOYSA-N 2 1 260.381 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423297119 528822031 /nfs/dbraw/zinc/82/20/31/528822031.db2.gz IUVNOSSFKHLVAK-AAEUAGOBSA-N 2 1 286.366 3.456 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)Cc1ccoc1)[NH+](C)C ZINC000449079507 528822448 /nfs/dbraw/zinc/82/24/48/528822448.db2.gz ZAZOBMFSJZSVFN-XJKSGUPXSA-N 2 1 266.429 3.167 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000423297100 528822979 /nfs/dbraw/zinc/82/29/79/528822979.db2.gz ITPXDXDZJDKLMI-NEPJUHHUSA-N 2 1 294.468 3.111 20 0 CGADMP CC(C)[NH+](CC[NH2+]C1CCC2(CCCO2)CC1)C(C)C ZINC000364384476 528906810 /nfs/dbraw/zinc/90/68/10/528906810.db2.gz KIFKKPHGGZKGCT-UHFFFAOYSA-N 2 1 282.472 3.187 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423287927 528954257 /nfs/dbraw/zinc/95/42/57/528954257.db2.gz PKCMGAUIJGSPEQ-HNNXBMFYSA-N 2 1 276.424 3.316 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423293586 528957957 /nfs/dbraw/zinc/95/79/57/528957957.db2.gz AFYLVBYKJUXKRO-DJSGYFEHSA-N 2 1 264.388 3.166 20 0 CGADMP CCCC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000423415313 528993779 /nfs/dbraw/zinc/99/37/79/528993779.db2.gz DMNKITVWTYGPAT-ROUUACIJSA-N 2 1 290.451 3.276 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449131326 529023931 /nfs/dbraw/zinc/02/39/31/529023931.db2.gz LWCDLJQLZNQLBP-CQSZACIVSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449131326 529023937 /nfs/dbraw/zinc/02/39/37/529023937.db2.gz LWCDLJQLZNQLBP-CQSZACIVSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423259686 529068857 /nfs/dbraw/zinc/06/88/57/529068857.db2.gz FNTXMTVTFPIGTQ-GXFFZTMASA-N 2 1 285.229 3.083 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449105461 529086529 /nfs/dbraw/zinc/08/65/29/529086529.db2.gz IAJVRBXNCGKCSQ-UONOGXRCSA-N 2 1 296.405 3.390 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccnc1 ZINC000359266804 529120216 /nfs/dbraw/zinc/12/02/16/529120216.db2.gz UNPPSVNKACOBDB-INIZCTEOSA-N 2 1 263.429 3.099 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccnc1 ZINC000359266804 529120220 /nfs/dbraw/zinc/12/02/20/529120220.db2.gz UNPPSVNKACOBDB-INIZCTEOSA-N 2 1 263.429 3.099 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(F)ccc1F ZINC000423384587 529126529 /nfs/dbraw/zinc/12/65/29/529126529.db2.gz GDEOZQPNFPQKGV-UVBJJODRSA-N 2 1 282.378 3.250 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(C)ccc1OC ZINC000425951459 529177499 /nfs/dbraw/zinc/17/74/99/529177499.db2.gz MTKATLOUBZLNCP-GOEBONIOSA-N 2 1 278.440 3.242 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423279488 529247631 /nfs/dbraw/zinc/24/76/31/529247631.db2.gz SAUQLMIHYKJHEG-WFASDCNBSA-N 2 1 266.454 3.433 20 0 CGADMP CC[C@H]1C[C@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)CCO1 ZINC000359463213 529326448 /nfs/dbraw/zinc/32/64/48/529326448.db2.gz YYZPDYFMEMPBGK-MSOLQXFVSA-N 2 1 290.451 3.043 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000128465009 535063369 /nfs/dbraw/zinc/06/33/69/535063369.db2.gz AGNZECFVJLWPCT-MRXNPFEDSA-N 2 1 287.407 3.147 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000128465009 535063377 /nfs/dbraw/zinc/06/33/77/535063377.db2.gz AGNZECFVJLWPCT-MRXNPFEDSA-N 2 1 287.407 3.147 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCOc2c(C)cccc2C)CC1 ZINC000484923067 535457218 /nfs/dbraw/zinc/45/72/18/535457218.db2.gz JQPLKJGJLPQNOH-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCOc2c(C)cccc2C)CC1 ZINC000484923067 535457221 /nfs/dbraw/zinc/45/72/21/535457221.db2.gz JQPLKJGJLPQNOH-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000514115093 535510785 /nfs/dbraw/zinc/51/07/85/535510785.db2.gz OHXTULXNRUMCOA-SFHVURJKSA-N 2 1 274.452 3.382 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC ZINC000037648806 535804708 /nfs/dbraw/zinc/80/47/08/535804708.db2.gz INMSNIOKZLJYLC-WMLDXEAASA-N 2 1 288.435 3.220 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226434662 572349912 /nfs/dbraw/zinc/34/99/12/572349912.db2.gz AIWSITLQSBLPRQ-ZDUSSCGKSA-N 2 1 286.341 3.137 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+]CCn1cc[nH+]c1C ZINC000356039343 572841508 /nfs/dbraw/zinc/84/15/08/572841508.db2.gz CXJODXRWBKHDLX-OAHLLOKOSA-N 2 1 251.418 3.388 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792903771 629392415 /nfs/dbraw/zinc/39/24/15/629392415.db2.gz KBTPEHRFMNYNTD-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792903771 629392417 /nfs/dbraw/zinc/39/24/17/629392417.db2.gz KBTPEHRFMNYNTD-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP Cc1cc(F)ncc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000891745521 618274866 /nfs/dbraw/zinc/27/48/66/618274866.db2.gz KFFGZALQURZSQU-UHFFFAOYSA-N 2 1 293.430 3.081 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(CSC)cc2)C1 ZINC000892144730 618558388 /nfs/dbraw/zinc/55/83/88/618558388.db2.gz PLUKDSHSNAXGSS-QGZVFWFLSA-N 2 1 292.492 3.323 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(CSC)cc2)C1 ZINC000892144730 618558393 /nfs/dbraw/zinc/55/83/93/618558393.db2.gz PLUKDSHSNAXGSS-QGZVFWFLSA-N 2 1 292.492 3.323 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CSC)cc2)C1 ZINC000892144730 618558397 /nfs/dbraw/zinc/55/83/97/618558397.db2.gz PLUKDSHSNAXGSS-QGZVFWFLSA-N 2 1 292.492 3.323 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CSC)cc2)C1 ZINC000892144730 618558402 /nfs/dbraw/zinc/55/84/02/618558402.db2.gz PLUKDSHSNAXGSS-QGZVFWFLSA-N 2 1 292.492 3.323 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CSC)cc2)C1 ZINC000892144730 618558405 /nfs/dbraw/zinc/55/84/05/618558405.db2.gz PLUKDSHSNAXGSS-QGZVFWFLSA-N 2 1 292.492 3.323 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926455944 618691867 /nfs/dbraw/zinc/69/18/67/618691867.db2.gz HRHISRZDEHHMKF-BRWVUGGUSA-N 2 1 284.488 3.028 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926455944 618691872 /nfs/dbraw/zinc/69/18/72/618691872.db2.gz HRHISRZDEHHMKF-BRWVUGGUSA-N 2 1 284.488 3.028 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000157383641 618722086 /nfs/dbraw/zinc/72/20/86/618722086.db2.gz IVWDLOQFSQSIPH-HOCLYGCPSA-N 2 1 278.415 3.077 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Cl)nc1 ZINC000179108680 618750798 /nfs/dbraw/zinc/75/07/98/618750798.db2.gz MVUYOWFXPPMQPS-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP COC1CCC(C[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000892571492 618864636 /nfs/dbraw/zinc/86/46/36/618864636.db2.gz YGONIXKNNYCCID-JUVOFCAFSA-N 2 1 282.472 3.044 20 0 CGADMP COC1CCC(C[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000892571492 618864637 /nfs/dbraw/zinc/86/46/37/618864637.db2.gz YGONIXKNNYCCID-JUVOFCAFSA-N 2 1 282.472 3.044 20 0 CGADMP COC1CCC(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000892585909 618868072 /nfs/dbraw/zinc/86/80/72/618868072.db2.gz YVKSYEOBNCXGSY-AOCRQIFASA-N 2 1 296.499 3.436 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000164659384 618895206 /nfs/dbraw/zinc/89/52/06/618895206.db2.gz AYDFVNNAUKVKCN-GFCCVEGCSA-N 2 1 292.814 3.371 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000925539310 619037666 /nfs/dbraw/zinc/03/76/66/619037666.db2.gz BRNPXMVNBWBDFA-LOWDOPEQSA-N 2 1 278.362 3.085 20 0 CGADMP COC1CCC(CC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925648683 619106718 /nfs/dbraw/zinc/10/67/18/619106718.db2.gz WRSBAZXKMVTZHB-VSVYTNTFSA-N 2 1 290.451 3.260 20 0 CGADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925737600 619211443 /nfs/dbraw/zinc/21/14/43/619211443.db2.gz RTZWCXDQXXNNMZ-DLBZAZTESA-N 2 1 288.435 3.322 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000925822355 619268103 /nfs/dbraw/zinc/26/81/03/619268103.db2.gz LUMOVFWHBKAYJH-UWWQBHOKSA-N 2 1 287.451 3.433 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910501 619270312 /nfs/dbraw/zinc/27/03/12/619270312.db2.gz DKORQYUUIYHKBU-GFCCVEGCSA-N 2 1 296.352 3.085 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910501 619270313 /nfs/dbraw/zinc/27/03/13/619270313.db2.gz DKORQYUUIYHKBU-GFCCVEGCSA-N 2 1 296.352 3.085 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CCCC1)[NH+]1CCC(C)CC1 ZINC000236721759 619305597 /nfs/dbraw/zinc/30/55/97/619305597.db2.gz QFMDUOBEVJQCFX-INIZCTEOSA-N 2 1 252.446 3.275 20 0 CGADMP Fc1cccc(/C=C/C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000894041265 619356390 /nfs/dbraw/zinc/35/63/90/619356390.db2.gz CZHVVIUJZRVERQ-YXMMZVCTSA-N 2 1 288.410 3.257 20 0 CGADMP Fc1cccc(/C=C/C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000894041265 619356391 /nfs/dbraw/zinc/35/63/91/619356391.db2.gz CZHVVIUJZRVERQ-YXMMZVCTSA-N 2 1 288.410 3.257 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1c[nH]cn1 ZINC000894178401 619406786 /nfs/dbraw/zinc/40/67/86/619406786.db2.gz HHJTUBBKISWKHC-HNNXBMFYSA-N 2 1 298.434 3.074 20 0 CGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cnc[nH]1 ZINC000894178401 619406791 /nfs/dbraw/zinc/40/67/91/619406791.db2.gz HHJTUBBKISWKHC-HNNXBMFYSA-N 2 1 298.434 3.074 20 0 CGADMP FC(F)(F)c1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261965836 619508191 /nfs/dbraw/zinc/50/81/91/619508191.db2.gz HSDLLTCTMWKSLQ-UHFFFAOYSA-N 2 1 298.352 3.281 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1COCC1(C)C ZINC000894385045 619512664 /nfs/dbraw/zinc/51/26/64/619512664.db2.gz PFUSAYWVOQCJNV-KRWDZBQOSA-N 2 1 290.451 3.041 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC000894777083 619629555 /nfs/dbraw/zinc/62/95/55/619629555.db2.gz LZAOQSLSMUIFKY-QPJJXVBHSA-N 2 1 287.382 3.366 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C/c1cccc(F)c1 ZINC000894777083 619629561 /nfs/dbraw/zinc/62/95/61/619629561.db2.gz LZAOQSLSMUIFKY-QPJJXVBHSA-N 2 1 287.382 3.366 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC(F)CC1 ZINC000895438319 619829015 /nfs/dbraw/zinc/82/90/15/619829015.db2.gz OCPQNWATGYZUJG-HFHWGPNISA-N 2 1 268.420 3.118 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CC1(C)C ZINC000840713888 620150468 /nfs/dbraw/zinc/15/04/68/620150468.db2.gz GIDYGWFEKVHSFM-HOTGVXAUSA-N 2 1 298.434 3.490 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)C[NH+]1CCCC1 ZINC000179108665 620202902 /nfs/dbraw/zinc/20/29/02/620202902.db2.gz MVUYOWFXPPMQPS-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000925204027 620229090 /nfs/dbraw/zinc/22/90/90/620229090.db2.gz JHZJUQZMUNDSFA-FUHWJXTLSA-N 2 1 289.467 3.114 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000925204027 620229095 /nfs/dbraw/zinc/22/90/95/620229095.db2.gz JHZJUQZMUNDSFA-FUHWJXTLSA-N 2 1 289.467 3.114 20 0 CGADMP Cc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1C ZINC000897984729 620462265 /nfs/dbraw/zinc/46/22/65/620462265.db2.gz FIROPCJWZKAVLY-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000898017510 620466956 /nfs/dbraw/zinc/46/69/56/620466956.db2.gz OKJSCLSZWRCEMQ-MJBXVCDLSA-N 2 1 274.399 3.132 20 0 CGADMP Cl/C=C\C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000898429687 620586540 /nfs/dbraw/zinc/58/65/40/620586540.db2.gz XGHGEFFYAOAAPA-FXSKZVMBSA-N 2 1 290.838 3.382 20 0 CGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC000898434959 620587594 /nfs/dbraw/zinc/58/75/94/620587594.db2.gz ZSDXSBKXXQQUON-GNEWEDCESA-N 2 1 270.848 3.372 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]CC4CC4)CC[C@@H]3C2)cc1 ZINC000898522982 620595863 /nfs/dbraw/zinc/59/58/63/620595863.db2.gz WOOOVKFHNKVRPV-CEXWTWQISA-N 2 1 284.447 3.287 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1Br ZINC000042441281 620883140 /nfs/dbraw/zinc/88/31/40/620883140.db2.gz IAQNYLBDPYCFHI-UHFFFAOYSA-N 2 1 299.256 3.400 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C1 ZINC000902361351 621289053 /nfs/dbraw/zinc/28/90/53/621289053.db2.gz MZMNSWJRUNAMNV-UKRRQHHQSA-N 2 1 292.398 3.017 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000902405592 621291262 /nfs/dbraw/zinc/29/12/62/621291262.db2.gz JEGZENVFSSZIRF-HIFRSBDPSA-N 2 1 278.827 3.447 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(OCc2ccccc2)cc1 ZINC000902415248 621308840 /nfs/dbraw/zinc/30/88/40/621308840.db2.gz MJZTYGVTGYICNT-HNNXBMFYSA-N 2 1 296.414 3.408 20 0 CGADMP CCOc1ccc([C@@H](CC)[NH2+]CC2([NH3+])CC2)cc1OCC ZINC000902415092 621324524 /nfs/dbraw/zinc/32/45/24/621324524.db2.gz ADJLPGLBCAEMIN-CQSZACIVSA-N 2 1 292.423 3.016 20 0 CGADMP Clc1ccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)cc1 ZINC000902466891 621339027 /nfs/dbraw/zinc/33/90/27/621339027.db2.gz OLPAMWXNJPSYCF-BTYMGIQYSA-N 2 1 290.838 3.459 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902794475 621451525 /nfs/dbraw/zinc/45/15/25/621451525.db2.gz WMRBEUQWKIQIOD-PMPSAXMXSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902993967 621514380 /nfs/dbraw/zinc/51/43/80/621514380.db2.gz ZKGQDVVZKIDOKB-SZMVWBNQSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902993967 621514384 /nfs/dbraw/zinc/51/43/84/621514384.db2.gz ZKGQDVVZKIDOKB-SZMVWBNQSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903081537 621562328 /nfs/dbraw/zinc/56/23/28/621562328.db2.gz VAJPEHNKEYXCEV-VGWXVEKNSA-N 2 1 262.441 3.313 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903068742 621567656 /nfs/dbraw/zinc/56/76/56/621567656.db2.gz LVEVYTXCVBPSEA-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903068741 621567822 /nfs/dbraw/zinc/56/78/22/621567822.db2.gz LVEVYTXCVBPSEA-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC3CCC1CC3)C2 ZINC000903140038 621595249 /nfs/dbraw/zinc/59/52/49/621595249.db2.gz ZBCQAPGRYPHHLO-KGVJHDEGSA-N 2 1 274.452 3.313 20 0 CGADMP COCC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903170085 621618566 /nfs/dbraw/zinc/61/85/66/621618566.db2.gz FOPOXLGTIRIYMI-ZXFUBFMLSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1(F)F ZINC000903201122 621624674 /nfs/dbraw/zinc/62/46/74/621624674.db2.gz VPUPOZDVKRSZKX-FBAPMCOASA-N 2 1 284.394 3.169 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903377982 621721513 /nfs/dbraw/zinc/72/15/13/621721513.db2.gz AGVJNAWMKLORAR-PBHICJAKSA-N 2 1 275.440 3.243 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000903430249 621743713 /nfs/dbraw/zinc/74/37/13/621743713.db2.gz QZJZKBQRDWCASF-UAGQMJEPSA-N 2 1 290.451 3.076 20 0 CGADMP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903434781 621745515 /nfs/dbraw/zinc/74/55/15/621745515.db2.gz JDEBUAOJURHTJS-HLLBOEOZSA-N 2 1 288.435 3.078 20 0 CGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903421579 621749892 /nfs/dbraw/zinc/74/98/92/621749892.db2.gz VUHYTTGRTNWDDP-QAPCUYQASA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1CN ZINC000903424917 621751389 /nfs/dbraw/zinc/75/13/89/621751389.db2.gz LOBSMAOTOUBQGG-DMRZNYOFSA-N 2 1 294.389 3.095 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1CN ZINC000903424917 621751391 /nfs/dbraw/zinc/75/13/91/621751391.db2.gz LOBSMAOTOUBQGG-DMRZNYOFSA-N 2 1 294.389 3.095 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000903450423 621760624 /nfs/dbraw/zinc/76/06/24/621760624.db2.gz VBRDGFUNTSWABW-ZFWWWQNUSA-N 2 1 278.465 3.358 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903727577 621796910 /nfs/dbraw/zinc/79/69/10/621796910.db2.gz VLWDCSZBWUOYLF-DLBZAZTESA-N 2 1 272.436 3.174 20 0 CGADMP CCC1CCC([N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725113 621797130 /nfs/dbraw/zinc/79/71/30/621797130.db2.gz WTSHXSROBUVNGX-JCYILVPMSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732938 621797677 /nfs/dbraw/zinc/79/76/77/621797677.db2.gz HXIXQWCAEFTCTD-ULQDDVLXSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H]2CCCC[NH2+]C2)s1 ZINC000903739104 621800823 /nfs/dbraw/zinc/80/08/23/621800823.db2.gz BYFYOCUMUVSADE-OCCSQVGLSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CCCC[NH2+]C2)s1 ZINC000903739104 621800826 /nfs/dbraw/zinc/80/08/26/621800826.db2.gz BYFYOCUMUVSADE-OCCSQVGLSA-N 2 1 281.469 3.142 20 0 CGADMP CCc1onc(C)c1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810312 621813261 /nfs/dbraw/zinc/81/32/61/621813261.db2.gz AQLMBNRVNUHHFZ-INIZCTEOSA-N 2 1 291.439 3.029 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cc(C3CC3)no2)CCC1 ZINC000903810541 621813373 /nfs/dbraw/zinc/81/33/73/621813373.db2.gz DJUHGCKPWBZZFD-INIZCTEOSA-N 2 1 289.423 3.036 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cc(C3CC3)no2)CCC1 ZINC000903810541 621813376 /nfs/dbraw/zinc/81/33/76/621813376.db2.gz DJUHGCKPWBZZFD-INIZCTEOSA-N 2 1 289.423 3.036 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818851 621814761 /nfs/dbraw/zinc/81/47/61/621814761.db2.gz WYFQSRMQYDOKFX-INIZCTEOSA-N 2 1 294.483 3.047 20 0 CGADMP CC(C)[C@H](C)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903872845 621824508 /nfs/dbraw/zinc/82/45/08/621824508.db2.gz KDKFHFNZGOESOK-AVOUXACISA-N 2 1 250.430 3.026 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000903885408 621826901 /nfs/dbraw/zinc/82/69/01/621826901.db2.gz HFYPROQLLJIQHA-IUODEOHRSA-N 2 1 280.362 3.121 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000903885408 621826904 /nfs/dbraw/zinc/82/69/04/621826904.db2.gz HFYPROQLLJIQHA-IUODEOHRSA-N 2 1 280.362 3.121 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000904308396 621902685 /nfs/dbraw/zinc/90/26/85/621902685.db2.gz PJSMOJHKWPPXDB-TYNCELHUSA-N 2 1 264.800 3.214 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000904318826 621905323 /nfs/dbraw/zinc/90/53/23/621905323.db2.gz XDUSHPXEVLZUEW-WFASDCNBSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000904318826 621905325 /nfs/dbraw/zinc/90/53/25/621905325.db2.gz XDUSHPXEVLZUEW-WFASDCNBSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000904321407 621905852 /nfs/dbraw/zinc/90/58/52/621905852.db2.gz YUWWBHBZUVKDNI-GDBMZVCRSA-N 2 1 293.480 3.150 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000904321407 621905858 /nfs/dbraw/zinc/90/58/58/621905858.db2.gz YUWWBHBZUVKDNI-GDBMZVCRSA-N 2 1 293.480 3.150 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000904323282 621906587 /nfs/dbraw/zinc/90/65/87/621906587.db2.gz NRCZBAMEWOHOKE-BBRMVZONSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000904323282 621906593 /nfs/dbraw/zinc/90/65/93/621906593.db2.gz NRCZBAMEWOHOKE-BBRMVZONSA-N 2 1 295.496 3.396 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)C1 ZINC000904342853 621909590 /nfs/dbraw/zinc/90/95/90/621909590.db2.gz OWHSGDDVYCRMDQ-HHXXYDBFSA-N 2 1 284.447 3.094 20 0 CGADMP C[C@@]1(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904385704 621917515 /nfs/dbraw/zinc/91/75/15/621917515.db2.gz CBHDXQLRRJMATN-MJBXVCDLSA-N 2 1 290.373 3.041 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000904405644 621917996 /nfs/dbraw/zinc/91/79/96/621917996.db2.gz MASSQYDZFATDSI-GFCCVEGCSA-N 2 1 260.406 3.072 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc(C)c1OC(F)F ZINC000904411280 621919212 /nfs/dbraw/zinc/91/92/12/621919212.db2.gz TXCMMOSGPNGUHD-ZDUSSCGKSA-N 2 1 298.377 3.076 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000904429431 621920343 /nfs/dbraw/zinc/92/03/43/621920343.db2.gz HOYZPQZOQMXJKX-OKZBNKHCSA-N 2 1 270.420 3.008 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000904429431 621920346 /nfs/dbraw/zinc/92/03/46/621920346.db2.gz HOYZPQZOQMXJKX-OKZBNKHCSA-N 2 1 270.420 3.008 20 0 CGADMP Cc1[nH+]c(N)ccc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000904767677 621980291 /nfs/dbraw/zinc/98/02/91/621980291.db2.gz APGSTCGAMTYWES-OAHLLOKOSA-N 2 1 253.349 3.064 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000044532914 622793441 /nfs/dbraw/zinc/79/34/41/622793441.db2.gz ZZBVDGHCYXHSJT-PBHICJAKSA-N 2 1 288.435 3.004 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1cccs1 ZINC000191473313 622906092 /nfs/dbraw/zinc/90/60/92/622906092.db2.gz ATKPXVFRKUNVGK-UHFFFAOYSA-N 2 1 291.464 3.462 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1cccs1 ZINC000191473313 622906098 /nfs/dbraw/zinc/90/60/98/622906098.db2.gz ATKPXVFRKUNVGK-UHFFFAOYSA-N 2 1 291.464 3.462 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000088432442 623447896 /nfs/dbraw/zinc/44/78/96/623447896.db2.gz YDJODUYQBDHUOR-GFCCVEGCSA-N 2 1 266.351 3.170 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000068635341 624743569 /nfs/dbraw/zinc/74/35/69/624743569.db2.gz BPUHOCPUJJFOBE-HSBZDZAISA-N 2 1 292.389 3.427 20 0 CGADMP CS[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000921790748 625876027 /nfs/dbraw/zinc/87/60/27/625876027.db2.gz MWMJENFWOMMVHQ-SDKNFDLMSA-N 2 1 282.497 3.266 20 0 CGADMP CS[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000921790748 625876030 /nfs/dbraw/zinc/87/60/30/625876030.db2.gz MWMJENFWOMMVHQ-SDKNFDLMSA-N 2 1 282.497 3.266 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000921790747 625876301 /nfs/dbraw/zinc/87/63/01/625876301.db2.gz MWMJENFWOMMVHQ-NIOBXDJOSA-N 2 1 282.497 3.266 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000921790747 625876304 /nfs/dbraw/zinc/87/63/04/625876304.db2.gz MWMJENFWOMMVHQ-NIOBXDJOSA-N 2 1 282.497 3.266 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cc1 ZINC000923302631 626143982 /nfs/dbraw/zinc/14/39/82/626143982.db2.gz YLWLJWSKGOIOLH-INIZCTEOSA-N 2 1 262.372 3.105 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)cc1 ZINC000923302631 626143983 /nfs/dbraw/zinc/14/39/83/626143983.db2.gz YLWLJWSKGOIOLH-INIZCTEOSA-N 2 1 262.372 3.105 20 0 CGADMP CC(C)[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000923313381 626144565 /nfs/dbraw/zinc/14/45/65/626144565.db2.gz GMHJFKUHFCNGRO-GOOCMWNKSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1nc([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)sc1C ZINC000923322843 626145479 /nfs/dbraw/zinc/14/54/79/626145479.db2.gz ALEZVWJXBONBKN-CQSZACIVSA-N 2 1 293.480 3.081 20 0 CGADMP Cc1nc([C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)sc1C ZINC000923322843 626145483 /nfs/dbraw/zinc/14/54/83/626145483.db2.gz ALEZVWJXBONBKN-CQSZACIVSA-N 2 1 293.480 3.081 20 0 CGADMP Cc1cccc(NC2CC[NH+](CCC[NH2+]C3CC3)CC2)c1 ZINC000923325263 626146308 /nfs/dbraw/zinc/14/63/08/626146308.db2.gz BQCSMUXMIOPXKY-UHFFFAOYSA-N 2 1 287.451 3.013 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@H+](C)CCC[NH2+]C1CC1)CCC2 ZINC000923372311 626149451 /nfs/dbraw/zinc/14/94/51/626149451.db2.gz ZYWSVIGAWYRGOI-AWEZNQCLSA-N 2 1 293.480 3.157 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC[NH2+]C1CC1)CCC2 ZINC000923372311 626149456 /nfs/dbraw/zinc/14/94/56/626149456.db2.gz ZYWSVIGAWYRGOI-AWEZNQCLSA-N 2 1 293.480 3.157 20 0 CGADMP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923502642 626158550 /nfs/dbraw/zinc/15/85/50/626158550.db2.gz YADXLGMRHIEVHR-CABCVRRESA-N 2 1 299.418 3.067 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522296 626161054 /nfs/dbraw/zinc/16/10/54/626161054.db2.gz RTLOJUVPKQTYCT-KWCYVHTRSA-N 2 1 298.352 3.308 20 0 CGADMP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923532041 626161358 /nfs/dbraw/zinc/16/13/58/626161358.db2.gz XRRMPFJKVGQSRU-DOMZBBRYSA-N 2 1 298.883 3.408 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000753665387 626461327 /nfs/dbraw/zinc/46/13/27/626461327.db2.gz OAHWYMJUARVJOW-HZPDHXFCSA-N 2 1 290.451 3.304 20 0 CGADMP CC(C)[N@H+](C)CC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763531642 627163887 /nfs/dbraw/zinc/16/38/87/627163887.db2.gz BQCJKLYXPIMUKD-JYRVWZFOSA-N 2 1 279.255 3.358 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763531642 627163888 /nfs/dbraw/zinc/16/38/88/627163888.db2.gz BQCJKLYXPIMUKD-JYRVWZFOSA-N 2 1 279.255 3.358 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000764655344 627216755 /nfs/dbraw/zinc/21/67/55/627216755.db2.gz UEXCCESENBYBPZ-CYBMUJFWSA-N 2 1 272.502 3.371 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000765790571 627270815 /nfs/dbraw/zinc/27/08/15/627270815.db2.gz GHCQCBVZRVMWIF-KURKYZTESA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000765790571 627270817 /nfs/dbraw/zinc/27/08/17/627270817.db2.gz GHCQCBVZRVMWIF-KURKYZTESA-N 2 1 294.483 3.188 20 0 CGADMP Cc1occc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769056732 627520425 /nfs/dbraw/zinc/52/04/25/627520425.db2.gz DTTQDNRWGXTRGT-UHFFFAOYSA-N 2 1 272.392 3.282 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776252791 628184436 /nfs/dbraw/zinc/18/44/36/628184436.db2.gz ZAMAPOHTCOAKJU-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776252791 628184439 /nfs/dbraw/zinc/18/44/39/628184439.db2.gz ZAMAPOHTCOAKJU-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CF)cc1 ZINC000777591464 628286542 /nfs/dbraw/zinc/28/65/42/628286542.db2.gz XXDWOQZEIXMXSY-QGZVFWFLSA-N 2 1 278.415 3.462 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CF)cc1 ZINC000777591464 628286548 /nfs/dbraw/zinc/28/65/48/628286548.db2.gz XXDWOQZEIXMXSY-QGZVFWFLSA-N 2 1 278.415 3.462 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(CF)cc1 ZINC000777591464 628286556 /nfs/dbraw/zinc/28/65/56/628286556.db2.gz XXDWOQZEIXMXSY-QGZVFWFLSA-N 2 1 278.415 3.462 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(CF)cc1 ZINC000777591464 628286559 /nfs/dbraw/zinc/28/65/59/628286559.db2.gz XXDWOQZEIXMXSY-QGZVFWFLSA-N 2 1 278.415 3.462 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000782185582 628622523 /nfs/dbraw/zinc/62/25/23/628622523.db2.gz YZHOIMKEAXFVGK-INIZCTEOSA-N 2 1 274.452 3.200 20 0 CGADMP C[C@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783225048 628690389 /nfs/dbraw/zinc/69/03/89/628690389.db2.gz UNHZIYIUVCYURT-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000788482922 629058203 /nfs/dbraw/zinc/05/82/03/629058203.db2.gz YYQBYWAIGILVJB-IRXDYDNUSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCC1 ZINC000788549432 629064398 /nfs/dbraw/zinc/06/43/98/629064398.db2.gz WKDUSYWLBDPQPF-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP c1ccc(NCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000863984524 629721810 /nfs/dbraw/zinc/72/18/10/629721810.db2.gz WBKGUMYWQFOWIP-JLYLLQBASA-N 2 1 299.462 3.236 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795926472 629726942 /nfs/dbraw/zinc/72/69/42/629726942.db2.gz GGDLYNLKRNMWHK-OKZBNKHCSA-N 2 1 294.483 3.212 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000795926472 629726947 /nfs/dbraw/zinc/72/69/47/629726947.db2.gz GGDLYNLKRNMWHK-OKZBNKHCSA-N 2 1 294.483 3.212 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000796832062 629843566 /nfs/dbraw/zinc/84/35/66/629843566.db2.gz LTDCHKGEJJMERX-JQHSSLGASA-N 2 1 272.436 3.266 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865417042 630114014 /nfs/dbraw/zinc/11/40/14/630114014.db2.gz WCVLIVUCCPEQBY-CABCVRRESA-N 2 1 278.827 3.365 20 0 CGADMP FC(F)(F)c1c[nH+]ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000865448670 630128812 /nfs/dbraw/zinc/12/88/12/630128812.db2.gz LKGOWZVEKVSDPC-GFCCVEGCSA-N 2 1 299.340 3.165 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000808694557 630665684 /nfs/dbraw/zinc/66/56/84/630665684.db2.gz DTFKQFAYXMNLRB-JZXOWHBKSA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000808694536 630665988 /nfs/dbraw/zinc/66/59/88/630665988.db2.gz DTFKQFAYXMNLRB-BQFCYCMXSA-N 2 1 296.499 3.434 20 0 CGADMP COc1ccc2c(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000811811369 631122411 /nfs/dbraw/zinc/12/24/11/631122411.db2.gz AREXSIBFECJTLC-OLZOCXBDSA-N 2 1 297.402 3.281 20 0 CGADMP Cc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000812738422 631300184 /nfs/dbraw/zinc/30/01/84/631300184.db2.gz RTCVPKLNVWVPQN-MQVJKMGUSA-N 2 1 292.854 3.406 20 0 CGADMP [NH3+]CCC[N@@H+](CCc1cccs1)CC1CCCC1 ZINC000843384909 635656434 /nfs/dbraw/zinc/65/64/34/635656434.db2.gz HNGVUNSYCFZEDI-UHFFFAOYSA-N 2 1 266.454 3.132 20 0 CGADMP CC(C)(C)SCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879201953 635725267 /nfs/dbraw/zinc/72/52/67/635725267.db2.gz BKPGLUKERJWUCN-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000879209198 635726069 /nfs/dbraw/zinc/72/60/69/635726069.db2.gz GNMZRESGNXKIHW-UHFFFAOYSA-N 2 1 286.410 3.372 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817906919 632233123 /nfs/dbraw/zinc/23/31/23/632233123.db2.gz HADWDQKBCUGPMM-OALUTQOASA-N 2 1 296.414 3.498 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000817960804 632256578 /nfs/dbraw/zinc/25/65/78/632256578.db2.gz QRNCESHXTVPJMF-GFCCVEGCSA-N 2 1 252.377 3.302 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CC[C@@H]1CC1(Cl)Cl)CC[NH2+]CC2 ZINC000818339509 632310296 /nfs/dbraw/zinc/31/02/96/632310296.db2.gz ARQCBTGSMZHUCW-NWDGAFQWSA-N 2 1 291.266 3.034 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822654926 632998904 /nfs/dbraw/zinc/99/89/04/632998904.db2.gz UMQCKZSWYYMXLN-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822654926 632998911 /nfs/dbraw/zinc/99/89/11/632998911.db2.gz UMQCKZSWYYMXLN-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000866208944 633029788 /nfs/dbraw/zinc/02/97/88/633029788.db2.gz YDOLSLKPVYSYMH-YOEHRIQHSA-N 2 1 281.403 3.074 20 0 CGADMP Fc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000866229218 633036069 /nfs/dbraw/zinc/03/60/69/633036069.db2.gz ONBPDMFJWVYMHM-SCLBCKFNSA-N 2 1 288.410 3.277 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000866233653 633037736 /nfs/dbraw/zinc/03/77/36/633037736.db2.gz XSIILSQVZHQAFR-ZACQAIPSSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000866233653 633037744 /nfs/dbraw/zinc/03/77/44/633037744.db2.gz XSIILSQVZHQAFR-ZACQAIPSSA-N 2 1 289.467 3.113 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000866261860 633050448 /nfs/dbraw/zinc/05/04/48/633050448.db2.gz XTAWEBOAVGNAFB-SJLPKXTDSA-N 2 1 289.467 3.489 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccn1 ZINC000866261860 633050449 /nfs/dbraw/zinc/05/04/49/633050449.db2.gz XTAWEBOAVGNAFB-SJLPKXTDSA-N 2 1 289.467 3.489 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(F)cccc32)C1 ZINC000866262846 633050454 /nfs/dbraw/zinc/05/04/54/633050454.db2.gz HKAJPKLJSQTWPX-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561524 633191929 /nfs/dbraw/zinc/19/19/29/633191929.db2.gz GPUCYATUQMWMBW-NUJGCVRESA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561524 633191933 /nfs/dbraw/zinc/19/19/33/633191933.db2.gz GPUCYATUQMWMBW-NUJGCVRESA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866582426 633204017 /nfs/dbraw/zinc/20/40/17/633204017.db2.gz FMTGZRMOZANMQE-OIISXLGYSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866582426 633204020 /nfs/dbraw/zinc/20/40/20/633204020.db2.gz FMTGZRMOZANMQE-OIISXLGYSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866582426 633204026 /nfs/dbraw/zinc/20/40/26/633204026.db2.gz FMTGZRMOZANMQE-OIISXLGYSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866582426 633204032 /nfs/dbraw/zinc/20/40/32/633204032.db2.gz FMTGZRMOZANMQE-OIISXLGYSA-N 2 1 276.399 3.303 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000866704971 633233988 /nfs/dbraw/zinc/23/39/88/633233988.db2.gz ROVKJLCSRCUYCZ-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000866704971 633233993 /nfs/dbraw/zinc/23/39/93/633233993.db2.gz ROVKJLCSRCUYCZ-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000866704969 633234594 /nfs/dbraw/zinc/23/45/94/633234594.db2.gz RNGHIUWJETZKBY-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000866704969 633234597 /nfs/dbraw/zinc/23/45/97/633234597.db2.gz RNGHIUWJETZKBY-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000866708997 633235393 /nfs/dbraw/zinc/23/53/93/633235393.db2.gz UJAUQRDHZYHRQS-ZDUSSCGKSA-N 2 1 280.378 3.416 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866715724 633235742 /nfs/dbraw/zinc/23/57/42/633235742.db2.gz FJFQIGWHBNMJBG-SJLPKXTDSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC=C(Cl)Cl)C1 ZINC000866710013 633235810 /nfs/dbraw/zinc/23/58/10/633235810.db2.gz VZJBTIDAYPMEBE-GFCCVEGCSA-N 2 1 265.228 3.002 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000866710013 633235816 /nfs/dbraw/zinc/23/58/16/633235816.db2.gz VZJBTIDAYPMEBE-GFCCVEGCSA-N 2 1 265.228 3.002 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000880255725 635958711 /nfs/dbraw/zinc/95/87/11/635958711.db2.gz WTFQFVLERSAQSX-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827969686 633542488 /nfs/dbraw/zinc/54/24/88/633542488.db2.gz UOOUGPQKZSNFGA-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827969686 633542493 /nfs/dbraw/zinc/54/24/93/633542493.db2.gz UOOUGPQKZSNFGA-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827969686 633542500 /nfs/dbraw/zinc/54/25/00/633542500.db2.gz UOOUGPQKZSNFGA-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827969686 633542505 /nfs/dbraw/zinc/54/25/05/633542505.db2.gz UOOUGPQKZSNFGA-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H]1CCCOC1 ZINC000872018974 633940268 /nfs/dbraw/zinc/94/02/68/633940268.db2.gz QYLWOOUNEXAKIO-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000872023685 633945199 /nfs/dbraw/zinc/94/51/99/633945199.db2.gz VKMASNDSXHQVDQ-QBPKDAKJSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000872023685 633945204 /nfs/dbraw/zinc/94/52/04/633945204.db2.gz VKMASNDSXHQVDQ-QBPKDAKJSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000872026272 633945570 /nfs/dbraw/zinc/94/55/70/633945570.db2.gz ZZOIPTPDPMDCTD-FRRDWIJNSA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000872026777 633945623 /nfs/dbraw/zinc/94/56/23/633945623.db2.gz FSDZVVVMHLKJSC-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000872026777 633945629 /nfs/dbraw/zinc/94/56/29/633945629.db2.gz FSDZVVVMHLKJSC-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872031875 633950867 /nfs/dbraw/zinc/95/08/67/633950867.db2.gz NILOFHRKQLHUBT-KBMXLJTQSA-N 2 1 293.455 3.011 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872040651 633962266 /nfs/dbraw/zinc/96/22/66/633962266.db2.gz ZOJFXTRKGGWTNW-HOTGVXAUSA-N 2 1 293.455 3.155 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872071782 633992938 /nfs/dbraw/zinc/99/29/38/633992938.db2.gz XLFFWIAEDNDYCY-JYJNAYRXSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872071782 633992941 /nfs/dbraw/zinc/99/29/41/633992941.db2.gz XLFFWIAEDNDYCY-JYJNAYRXSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000872078870 634001727 /nfs/dbraw/zinc/00/17/27/634001727.db2.gz TVUPQKXTHVYGRV-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000872078870 634001731 /nfs/dbraw/zinc/00/17/31/634001731.db2.gz TVUPQKXTHVYGRV-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP [NH3+]CCCCCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000846218584 636161218 /nfs/dbraw/zinc/16/12/18/636161218.db2.gz ZLBFTUNVEJTJEW-UHFFFAOYSA-N 2 1 264.388 3.309 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2nccs2)C1)C1CCCC1 ZINC000872156976 634068037 /nfs/dbraw/zinc/06/80/37/634068037.db2.gz MVXPHEKXPYJTNR-UKRRQHHQSA-N 2 1 293.480 3.263 20 0 CGADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)O1 ZINC000872158311 634068858 /nfs/dbraw/zinc/06/88/58/634068858.db2.gz UWYPIBIBGLOLQL-AHCXZYCDSA-N 2 1 294.483 3.174 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1)C1CCCC1 ZINC000872158430 634069465 /nfs/dbraw/zinc/06/94/65/634069465.db2.gz VARSDCPEIWHBMR-WMZOPIPTSA-N 2 1 287.451 3.201 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2ncccc12 ZINC000873043475 634236259 /nfs/dbraw/zinc/23/62/59/634236259.db2.gz OKJYFGXUBYFDJP-AWEZNQCLSA-N 2 1 294.402 3.166 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3ncccc23)C1 ZINC000873131569 634252828 /nfs/dbraw/zinc/25/28/28/634252828.db2.gz VYNUPUAAOJZORG-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223451 634291168 /nfs/dbraw/zinc/29/11/68/634291168.db2.gz NPXJSIYWFBMHEN-OAHLLOKOSA-N 2 1 266.454 3.253 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873224289 634291747 /nfs/dbraw/zinc/29/17/47/634291747.db2.gz ZVPINQXZIWXEMS-OAHLLOKOSA-N 2 1 266.454 3.253 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CSc3ccccc32)C1 ZINC000873244426 634298321 /nfs/dbraw/zinc/29/83/21/634298321.db2.gz HLNBRYMMJYCDGI-JSGCOSHPSA-N 2 1 276.449 3.201 20 0 CGADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000877046298 634962731 /nfs/dbraw/zinc/96/27/31/634962731.db2.gz LJQIAQASOIPGQJ-IAGOWNOFSA-N 2 1 294.483 3.212 20 0 CGADMP CC(C)(C[NH2+]Cc1cccc(Cl)c1N)C[NH+]1CCCC1 ZINC000877473315 635049723 /nfs/dbraw/zinc/04/97/23/635049723.db2.gz GIUHZFFPFFSFCC-UHFFFAOYSA-N 2 1 295.858 3.134 20 0 CGADMP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000841006452 635105010 /nfs/dbraw/zinc/10/50/10/635105010.db2.gz KVKMJUYSDWFTAV-ZDUSSCGKSA-N 2 1 272.314 3.191 20 0 CGADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000841006452 635105012 /nfs/dbraw/zinc/10/50/12/635105012.db2.gz KVKMJUYSDWFTAV-ZDUSSCGKSA-N 2 1 272.314 3.191 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000841010171 635106344 /nfs/dbraw/zinc/10/63/44/635106344.db2.gz BYCXTUSLRNWAEW-PBFPGSCMSA-N 2 1 294.389 3.490 20 0 CGADMP CC(C)c1ncc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000841089863 635120716 /nfs/dbraw/zinc/12/07/16/635120716.db2.gz QOORWKPYLYVPBI-GFCCVEGCSA-N 2 1 279.453 3.031 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000841105456 635122030 /nfs/dbraw/zinc/12/20/30/635122030.db2.gz OKOBMSWOLUCEJW-GDBMZVCRSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@H]21 ZINC000877738854 635174067 /nfs/dbraw/zinc/17/40/67/635174067.db2.gz DHIYJXUDMNZEGC-LSDHHAIUSA-N 2 1 280.362 3.150 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@H]21 ZINC000877738854 635174079 /nfs/dbraw/zinc/17/40/79/635174079.db2.gz DHIYJXUDMNZEGC-LSDHHAIUSA-N 2 1 280.362 3.150 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)CC[C@H]21 ZINC000877738854 635174087 /nfs/dbraw/zinc/17/40/87/635174087.db2.gz DHIYJXUDMNZEGC-LSDHHAIUSA-N 2 1 280.362 3.150 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)CC[C@H]21 ZINC000877738854 635174095 /nfs/dbraw/zinc/17/40/95/635174095.db2.gz DHIYJXUDMNZEGC-LSDHHAIUSA-N 2 1 280.362 3.150 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739547 635174817 /nfs/dbraw/zinc/17/48/17/635174817.db2.gz HEALIYNIIFIQKT-NXOAAHMSSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739547 635174821 /nfs/dbraw/zinc/17/48/21/635174821.db2.gz HEALIYNIIFIQKT-NXOAAHMSSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739547 635174825 /nfs/dbraw/zinc/17/48/25/635174825.db2.gz HEALIYNIIFIQKT-NXOAAHMSSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877739547 635174829 /nfs/dbraw/zinc/17/48/29/635174829.db2.gz HEALIYNIIFIQKT-NXOAAHMSSA-N 2 1 262.441 3.005 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877744203 635178966 /nfs/dbraw/zinc/17/89/66/635178966.db2.gz PUMDAAGVAWJLAM-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877744203 635178974 /nfs/dbraw/zinc/17/89/74/635178974.db2.gz PUMDAAGVAWJLAM-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877744203 635178980 /nfs/dbraw/zinc/17/89/80/635178980.db2.gz PUMDAAGVAWJLAM-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877744203 635178989 /nfs/dbraw/zinc/17/89/89/635178989.db2.gz PUMDAAGVAWJLAM-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP Cc1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)ccn1 ZINC000877767449 635193268 /nfs/dbraw/zinc/19/32/68/635193268.db2.gz JWEGJNLKSYRTPP-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP CC(C)C[N@@H+](C[C@@H]1CCSC1)CC1CC[NH+](C)CC1 ZINC000877767388 635193449 /nfs/dbraw/zinc/19/34/49/635193449.db2.gz GTSMNJKCJPFKDW-INIZCTEOSA-N 2 1 284.513 3.039 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC(C)(C)O2)C[C@H]1C ZINC000878164033 635388092 /nfs/dbraw/zinc/38/80/92/635388092.db2.gz ZIDJWCJDTBZOHZ-PMPSAXMXSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC(C)(C)O2)C[C@H]1C ZINC000878164033 635388096 /nfs/dbraw/zinc/38/80/96/635388096.db2.gz ZIDJWCJDTBZOHZ-PMPSAXMXSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC(C)(C)O2)C[C@H]1C ZINC000878164033 635388098 /nfs/dbraw/zinc/38/80/98/635388098.db2.gz ZIDJWCJDTBZOHZ-PMPSAXMXSA-N 2 1 282.472 3.139 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCSC(C)(C)C)C1 ZINC000878166930 635391033 /nfs/dbraw/zinc/39/10/33/635391033.db2.gz KCFSVWVFZGXKLP-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878166930 635391036 /nfs/dbraw/zinc/39/10/36/635391036.db2.gz KCFSVWVFZGXKLP-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCSC(C)(C)C)C1 ZINC000878166930 635391042 /nfs/dbraw/zinc/39/10/42/635391042.db2.gz KCFSVWVFZGXKLP-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878236276 635426106 /nfs/dbraw/zinc/42/61/06/635426106.db2.gz WMGGEIHCGLHMOI-CYBMUJFWSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)C(C)(C)C ZINC000878340526 635466675 /nfs/dbraw/zinc/46/66/75/635466675.db2.gz VTOUMFIQCRJPTQ-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)C(C)(C)C ZINC000878340526 635466676 /nfs/dbraw/zinc/46/66/76/635466676.db2.gz VTOUMFIQCRJPTQ-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)[C@H](c2ccccc2)C1 ZINC000842924651 635513764 /nfs/dbraw/zinc/51/37/64/635513764.db2.gz RLAQLZCVSAWYLV-YRXWBPOGSA-N 2 1 284.447 3.110 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1[NH3+] ZINC000843051169 635549301 /nfs/dbraw/zinc/54/93/01/635549301.db2.gz FKZYLLBBUQJCJJ-ZWNOBZJWSA-N 2 1 286.391 3.170 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1[NH3+] ZINC000843051169 635549307 /nfs/dbraw/zinc/54/93/07/635549307.db2.gz FKZYLLBBUQJCJJ-ZWNOBZJWSA-N 2 1 286.391 3.170 20 0 CGADMP COc1cccc2cc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)oc21 ZINC000843051953 635549895 /nfs/dbraw/zinc/54/98/95/635549895.db2.gz NAWCXMALAWIAGZ-TZMCWYRMSA-N 2 1 288.391 3.001 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2o1 ZINC000843054345 635551709 /nfs/dbraw/zinc/55/17/09/635551709.db2.gz VTWUPQRATMVOBL-GOOCMWNKSA-N 2 1 270.376 3.277 20 0 CGADMP C[N@@H+](Cc1cscc1Cl)C1CCC([NH3+])CC1 ZINC000843056105 635553177 /nfs/dbraw/zinc/55/31/77/635553177.db2.gz ZHPOLQXMPGKIAH-UHFFFAOYSA-N 2 1 258.818 3.103 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOC1CCCCCC1 ZINC000843360965 635653997 /nfs/dbraw/zinc/65/39/97/635653997.db2.gz NGAGGHUZFFBBDW-MQVJKMGUSA-N 2 1 280.456 3.070 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000879579046 635815834 /nfs/dbraw/zinc/81/58/34/635815834.db2.gz IWMSPFDDXIQJCU-YQVWRLOYSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000879579046 635815836 /nfs/dbraw/zinc/81/58/36/635815836.db2.gz IWMSPFDDXIQJCU-YQVWRLOYSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000879579046 635815840 /nfs/dbraw/zinc/81/58/40/635815840.db2.gz IWMSPFDDXIQJCU-YQVWRLOYSA-N 2 1 284.447 3.133 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCSC3CCCCC3)CC[C@H]21 ZINC000879579869 635815896 /nfs/dbraw/zinc/81/58/96/635815896.db2.gz CKZCEXBGGJGENT-GDBMZVCRSA-N 2 1 282.497 3.078 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCSC3CCCCC3)CC[C@H]21 ZINC000879579869 635815900 /nfs/dbraw/zinc/81/59/00/635815900.db2.gz CKZCEXBGGJGENT-GDBMZVCRSA-N 2 1 282.497 3.078 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCSC3CCCCC3)CC[C@H]21 ZINC000879579869 635815904 /nfs/dbraw/zinc/81/59/04/635815904.db2.gz CKZCEXBGGJGENT-GDBMZVCRSA-N 2 1 282.497 3.078 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCSC3CCCCC3)CC[C@H]21 ZINC000879579869 635815908 /nfs/dbraw/zinc/81/59/08/635815908.db2.gz CKZCEXBGGJGENT-GDBMZVCRSA-N 2 1 282.497 3.078 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000879580264 635816778 /nfs/dbraw/zinc/81/67/78/635816778.db2.gz GKCZNRLPSMFISM-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000879580264 635816780 /nfs/dbraw/zinc/81/67/80/635816780.db2.gz GKCZNRLPSMFISM-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000879580264 635816786 /nfs/dbraw/zinc/81/67/86/635816786.db2.gz GKCZNRLPSMFISM-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000879580264 635816787 /nfs/dbraw/zinc/81/67/87/635816787.db2.gz GKCZNRLPSMFISM-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672438 635832154 /nfs/dbraw/zinc/83/21/54/635832154.db2.gz WVVKTDZHJYDWAR-CHWSQXEVSA-N 2 1 287.329 3.068 20 0 CGADMP CC(C)(C)OCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879949522 635885538 /nfs/dbraw/zinc/88/55/38/635885538.db2.gz YLZPSVGREDCKKS-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC1(C)CO[C@@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000879951376 635886520 /nfs/dbraw/zinc/88/65/20/635886520.db2.gz MFKRTYYQIWIOJL-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cccnc1Cl ZINC000844923413 635985068 /nfs/dbraw/zinc/98/50/68/635985068.db2.gz GCVNTGLJWDTJSO-GFCCVEGCSA-N 2 1 289.810 3.305 20 0 CGADMP C[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1c[nH+]ccc1N ZINC000844922634 635985216 /nfs/dbraw/zinc/98/52/16/635985216.db2.gz BLEJREYMQKBZRD-VHSXEESVSA-N 2 1 288.222 3.119 20 0 CGADMP Cc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000880471415 636007127 /nfs/dbraw/zinc/00/71/27/636007127.db2.gz VGTHIULYVGHUME-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP C[C@@]1(C[NH+]2CCC(C)([NH+]3CCC3)CC2)CC1(Cl)Cl ZINC000880474757 636008281 /nfs/dbraw/zinc/00/82/81/636008281.db2.gz LXAHPKCMQQNAQS-LBPRGKRZSA-N 2 1 291.266 3.131 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000845938587 636120677 /nfs/dbraw/zinc/12/06/77/636120677.db2.gz WBZNXOSUIASPGH-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC3(CC3)C2)cn1 ZINC000883174488 636565773 /nfs/dbraw/zinc/56/57/73/636565773.db2.gz LJAXRCATCFWPLY-INIZCTEOSA-N 2 1 296.418 3.388 20 0 CGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000849063847 636737329 /nfs/dbraw/zinc/73/73/29/636737329.db2.gz QUIZKNREIJLCSR-JKSUJKDBSA-N 2 1 296.503 3.047 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883416002 636748999 /nfs/dbraw/zinc/74/89/99/636748999.db2.gz JJJSOGIADSZJDW-RANZSIQMSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883416002 636749002 /nfs/dbraw/zinc/74/90/02/636749002.db2.gz JJJSOGIADSZJDW-RANZSIQMSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C[NH3+] ZINC000883433640 636753400 /nfs/dbraw/zinc/75/34/00/636753400.db2.gz VNYAAMNNIGRCGW-XJFOESAGSA-N 2 1 274.399 3.117 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000883439561 636756898 /nfs/dbraw/zinc/75/68/98/636756898.db2.gz VEJKECQVGRRRJS-RDTXWAMCSA-N 2 1 296.499 3.277 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885954019 637328815 /nfs/dbraw/zinc/32/88/15/637328815.db2.gz LICBHEZCJCFVLK-MQDFFIGUSA-N 2 1 276.399 3.159 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000885969159 637338087 /nfs/dbraw/zinc/33/80/87/637338087.db2.gz LQNKEYSUUWGZME-IXDOHACOSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886121006 637423375 /nfs/dbraw/zinc/42/33/75/637423375.db2.gz SKXUNJWJOLTPAI-HRCADAONSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886121006 637423378 /nfs/dbraw/zinc/42/33/78/637423378.db2.gz SKXUNJWJOLTPAI-HRCADAONSA-N 2 1 270.461 3.044 20 0 CGADMP CC[N@H+](CCC[NH2+]Cc1[nH]nc(C)c1C)C1CCCCC1 ZINC000886153639 637438800 /nfs/dbraw/zinc/43/88/00/637438800.db2.gz MDTONLBZCKAHMH-UHFFFAOYSA-N 2 1 292.471 3.161 20 0 CGADMP CC[N@@H+](CCC[NH2+]Cc1[nH]nc(C)c1C)C1CCCCC1 ZINC000886153639 637438802 /nfs/dbraw/zinc/43/88/02/637438802.db2.gz MDTONLBZCKAHMH-UHFFFAOYSA-N 2 1 292.471 3.161 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851731231 637481214 /nfs/dbraw/zinc/48/12/14/637481214.db2.gz MQGXJOWUAPQPJB-UHFFFAOYSA-N 2 1 293.430 3.165 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886320038 637499161 /nfs/dbraw/zinc/49/91/61/637499161.db2.gz YUXKBOXZQLVJDZ-MSOLQXFVSA-N 2 1 294.483 3.142 20 0 CGADMP ClC(Cl)=CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000851860226 637525706 /nfs/dbraw/zinc/52/57/06/637525706.db2.gz HWYXJJOZAKCJGJ-DGCLKSJQSA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000851860226 637525708 /nfs/dbraw/zinc/52/57/08/637525708.db2.gz HWYXJJOZAKCJGJ-DGCLKSJQSA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000851860226 637525717 /nfs/dbraw/zinc/52/57/17/637525717.db2.gz HWYXJJOZAKCJGJ-DGCLKSJQSA-N 2 1 289.250 3.254 20 0 CGADMP ClC(Cl)=CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000851860226 637525725 /nfs/dbraw/zinc/52/57/25/637525725.db2.gz HWYXJJOZAKCJGJ-DGCLKSJQSA-N 2 1 289.250 3.254 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000852008569 637570865 /nfs/dbraw/zinc/57/08/65/637570865.db2.gz WBRJJRPSUQZXAE-ZACQAIPSSA-N 2 1 276.468 3.230 20 0 CGADMP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(F)F ZINC000886651457 637631639 /nfs/dbraw/zinc/63/16/39/637631639.db2.gz GIMWHNTULGUXSG-DCBWTQNWSA-N 2 1 260.372 3.027 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](CCc2ccccc2F)CC1 ZINC000886716240 637670039 /nfs/dbraw/zinc/67/00/39/637670039.db2.gz SQARYVNCORFPGO-UHFFFAOYSA-N 2 1 290.426 3.319 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000886719896 637670845 /nfs/dbraw/zinc/67/08/45/637670845.db2.gz LGZBFMPMCJLDEX-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852751205 637706845 /nfs/dbraw/zinc/70/68/45/637706845.db2.gz SPNBCKKZWPNVLD-GDBMZVCRSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000852754746 637707083 /nfs/dbraw/zinc/70/70/83/637707083.db2.gz ZONMTLSRLPBWEU-HNNXBMFYSA-N 2 1 291.439 3.010 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873909 637715325 /nfs/dbraw/zinc/71/53/25/637715325.db2.gz BDMQBGAZGBVXNY-CYBMUJFWSA-N 2 1 278.362 3.185 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000300328867 637832483 /nfs/dbraw/zinc/83/24/83/637832483.db2.gz QCIAUTOMASVKKK-XLAORIBOSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000300328867 637832488 /nfs/dbraw/zinc/83/24/88/637832488.db2.gz QCIAUTOMASVKKK-XLAORIBOSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924964601 638431726 /nfs/dbraw/zinc/43/17/26/638431726.db2.gz RHIVMVYTWFIQQM-RZZCCWGQSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924964601 638431733 /nfs/dbraw/zinc/43/17/33/638431733.db2.gz RHIVMVYTWFIQQM-RZZCCWGQSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000925137672 638458675 /nfs/dbraw/zinc/45/86/75/638458675.db2.gz ACSUVFDUYIPRTR-FVQBIDKESA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000925137672 638458680 /nfs/dbraw/zinc/45/86/80/638458680.db2.gz ACSUVFDUYIPRTR-FVQBIDKESA-N 2 1 258.409 3.055 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc2ccccc2[nH]1 ZINC000925143984 638460612 /nfs/dbraw/zinc/46/06/12/638460612.db2.gz RWRLQTMWXFUVFV-VNHYZAJKSA-N 2 1 271.408 3.301 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2ccccc2[nH]1 ZINC000925143984 638460618 /nfs/dbraw/zinc/46/06/18/638460618.db2.gz RWRLQTMWXFUVFV-VNHYZAJKSA-N 2 1 271.408 3.301 20 0 CGADMP Cc1nc(C)c(C[NH2+]C2CC[NH+](CCC(C)C)CC2)s1 ZINC000925149870 638461423 /nfs/dbraw/zinc/46/14/23/638461423.db2.gz UBBUMDQXFLRYSY-UHFFFAOYSA-N 2 1 295.496 3.360 20 0 CGADMP Clc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000925592089 638540316 /nfs/dbraw/zinc/54/03/16/638540316.db2.gz DGUGKLPBGFIGEV-GFCCVEGCSA-N 2 1 284.856 3.208 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000925627636 638548528 /nfs/dbraw/zinc/54/85/28/638548528.db2.gz XDQXAIJOPAHHKM-LLLHUVSDSA-N 2 1 290.451 3.258 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925655095 638558008 /nfs/dbraw/zinc/55/80/08/638558008.db2.gz PPNPKPFBCQJHNM-BFYDXBDKSA-N 2 1 270.420 3.115 20 0 CGADMP Cc1cccnc1CCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925683427 638568243 /nfs/dbraw/zinc/56/82/43/638568243.db2.gz QFYDWYXGEYLKBL-MAUKXSAKSA-N 2 1 283.419 3.001 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1 ZINC000925686491 638568331 /nfs/dbraw/zinc/56/83/31/638568331.db2.gz VCSBHGWLQYJASQ-RISCZKNCSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1 ZINC000925686492 638568502 /nfs/dbraw/zinc/56/85/02/638568502.db2.gz VCSBHGWLQYJASQ-SMDDNHRTSA-N 2 1 268.351 3.100 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)C12CCC2 ZINC000925719127 638579033 /nfs/dbraw/zinc/57/90/33/638579033.db2.gz OWDSSOOGKMCABT-NXEZZACHSA-N 2 1 290.354 3.126 20 0 CGADMP C1=C[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000925733820 638588489 /nfs/dbraw/zinc/58/84/89/638588489.db2.gz YDSKDUBUWPQBHH-XIRDDKMYSA-N 2 1 256.393 3.036 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857901274 638597374 /nfs/dbraw/zinc/59/73/74/638597374.db2.gz KAUMFEDVQPLVFO-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857901274 638597376 /nfs/dbraw/zinc/59/73/76/638597376.db2.gz KAUMFEDVQPLVFO-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1F ZINC000925782456 638612778 /nfs/dbraw/zinc/61/27/78/638612778.db2.gz LSQNZCUXSIQCTL-SMDDNHRTSA-N 2 1 286.341 3.111 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)CC1(C)C ZINC000858183376 638651080 /nfs/dbraw/zinc/65/10/80/638651080.db2.gz CYXCAEIVWKPDIS-VXGBXAGGSA-N 2 1 293.282 3.423 20 0 CGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000926348784 638765031 /nfs/dbraw/zinc/76/50/31/638765031.db2.gz GTOLHCVOLLUDNY-BFYDXBDKSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000926348784 638765035 /nfs/dbraw/zinc/76/50/35/638765035.db2.gz GTOLHCVOLLUDNY-BFYDXBDKSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)[C@H](C)C1 ZINC000927038919 638834704 /nfs/dbraw/zinc/83/47/04/638834704.db2.gz SCPZIDBYAAEYTI-KFWWJZLASA-N 2 1 282.497 3.125 20 0 CGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000927065981 638836837 /nfs/dbraw/zinc/83/68/37/638836837.db2.gz KAJSKVDKAWHTKD-GOSISDBHSA-N 2 1 288.435 3.220 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCCC(C)(F)F)CC1 ZINC000929776941 638949752 /nfs/dbraw/zinc/94/97/52/638949752.db2.gz BWMGFMUFRCRFPI-UHFFFAOYSA-N 2 1 262.388 3.228 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCC(C)(C)O2)cc1 ZINC000859213031 639110521 /nfs/dbraw/zinc/11/05/21/639110521.db2.gz QKLWCMYMSYGWOI-KRWDZBQOSA-N 2 1 290.451 3.138 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931311537 639133313 /nfs/dbraw/zinc/13/33/13/639133313.db2.gz RHUUJRJDSNMQBJ-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931311537 639133316 /nfs/dbraw/zinc/13/33/16/639133316.db2.gz RHUUJRJDSNMQBJ-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931311537 639133321 /nfs/dbraw/zinc/13/33/21/639133321.db2.gz RHUUJRJDSNMQBJ-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931311537 639133324 /nfs/dbraw/zinc/13/33/24/639133324.db2.gz RHUUJRJDSNMQBJ-NXHRZFHOSA-N 2 1 272.436 3.064 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCSC[C@H]1C(C)(C)C ZINC000931596837 639177425 /nfs/dbraw/zinc/17/74/25/639177425.db2.gz MKQYNCUGYXWHIG-HNNXBMFYSA-N 2 1 295.496 3.435 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC000931596837 639177431 /nfs/dbraw/zinc/17/74/31/639177431.db2.gz MKQYNCUGYXWHIG-HNNXBMFYSA-N 2 1 295.496 3.435 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@H]1C(C)(C)C ZINC000931596837 639177435 /nfs/dbraw/zinc/17/74/35/639177435.db2.gz MKQYNCUGYXWHIG-HNNXBMFYSA-N 2 1 295.496 3.435 20 0 CGADMP CC(C)[N@H+](Cc1cccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091543427 640715325 /nfs/dbraw/zinc/71/53/25/640715325.db2.gz SXQAZNWJPWDVFJ-OLZOCXBDSA-N 2 1 252.427 3.086 20 0 CGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000091848010 640724765 /nfs/dbraw/zinc/72/47/65/640724765.db2.gz RBXPJJHQNCHBFD-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251596249 640829176 /nfs/dbraw/zinc/82/91/76/640829176.db2.gz YLKCDXYSGNYUGO-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252846157 640864272 /nfs/dbraw/zinc/86/42/72/640864272.db2.gz FKOVVGDDSMISLT-LESCFKLSSA-N 2 1 280.362 3.085 20 0 CGADMP C[N@@H+]1CCC[C@@H](CCNc2cc(C3CC3)cc[nH+]2)C1 ZINC001156387530 805682673 /nfs/dbraw/zinc/68/26/73/805682673.db2.gz GCUWYGKZGHWASS-ZDUSSCGKSA-N 2 1 259.397 3.103 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2cc(C3CC3)cc[nH+]2)C1 ZINC001156387530 805682679 /nfs/dbraw/zinc/68/26/79/805682679.db2.gz GCUWYGKZGHWASS-ZDUSSCGKSA-N 2 1 259.397 3.103 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2[nH]ccc21 ZINC001156927533 805754724 /nfs/dbraw/zinc/75/47/24/805754724.db2.gz BKVWLUZLVMWHNV-CYBMUJFWSA-N 2 1 272.396 3.239 20 0 CGADMP Cc1ccc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]c1C ZINC001156928950 805755882 /nfs/dbraw/zinc/75/58/82/805755882.db2.gz PXEMBAWAWPTGHV-AWEZNQCLSA-N 2 1 261.413 3.375 20 0 CGADMP COc1cc(NCC(C)(C)C[NH+](C)C)[nH+]c2ccccc21 ZINC001157945194 805906582 /nfs/dbraw/zinc/90/65/82/805906582.db2.gz ZHFNOEAVAZLHCE-UHFFFAOYSA-N 2 1 287.407 3.243 20 0 CGADMP Cc1cc[nH+]c(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001158165703 805925796 /nfs/dbraw/zinc/92/57/96/805925796.db2.gz WKPXBGKKKJREOJ-QAQDUYKDSA-N 2 1 296.418 3.062 20 0 CGADMP c1ccc2c(Nc3ccc4c(c3)C[NH2+]C4)cc[nH+]c2c1 ZINC001159470330 806107768 /nfs/dbraw/zinc/10/77/68/806107768.db2.gz BTEJQPOAWFNGPJ-UHFFFAOYSA-N 2 1 261.328 3.004 20 0 CGADMP Nc1cccc2[nH+]cn(-c3ccc([C@@H]4CCC[NH2+]4)cc3)c21 ZINC001159492239 806114261 /nfs/dbraw/zinc/11/42/61/806114261.db2.gz VNSHFAUCWYLYOZ-HNNXBMFYSA-N 2 1 278.359 3.032 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1ccc(Cl)cc1 ZINC001253203419 806182760 /nfs/dbraw/zinc/18/27/60/806182760.db2.gz GYVYDCCGQUHRJK-CVEARBPZSA-N 2 1 298.858 3.083 20 0 CGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC001253206062 806182798 /nfs/dbraw/zinc/18/27/98/806182798.db2.gz KHILMARFKQGRTE-ROUUACIJSA-N 2 1 292.467 3.066 20 0 CGADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC001253384794 806212592 /nfs/dbraw/zinc/21/25/92/806212592.db2.gz GUOHKCKFIWNINK-MRXNPFEDSA-N 2 1 292.467 3.036 20 0 CGADMP FC(F)(F)[C@@H]1C[NH2+]CC[C@@H]1Nc1[nH+]ccc2ccccc21 ZINC001160739431 806298651 /nfs/dbraw/zinc/29/86/51/806298651.db2.gz XCTINHDAYJOTAK-OLZOCXBDSA-N 2 1 295.308 3.187 20 0 CGADMP c1cc2c(cc[nH+]c2N[C@H]2CC[N@H+](CC3CCCC3)C2)[nH]1 ZINC001161181248 806356178 /nfs/dbraw/zinc/35/61/78/806356178.db2.gz OCTYTKYFPFWREP-AWEZNQCLSA-N 2 1 284.407 3.239 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC001254499326 806420683 /nfs/dbraw/zinc/42/06/83/806420683.db2.gz CRSSRXYKLXWQJB-CQSZACIVSA-N 2 1 268.351 3.198 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)Cc2ccccc2F)CC1 ZINC001254506872 806427548 /nfs/dbraw/zinc/42/75/48/806427548.db2.gz BWKKSGVEZFLQKT-HNNXBMFYSA-N 2 1 278.415 3.221 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1F ZINC001254506791 806427941 /nfs/dbraw/zinc/42/79/41/806427941.db2.gz AACOQZFGMVMEFG-XJKSGUPXSA-N 2 1 282.378 3.490 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC001254506791 806427943 /nfs/dbraw/zinc/42/79/43/806427943.db2.gz AACOQZFGMVMEFG-XJKSGUPXSA-N 2 1 282.378 3.490 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC001254507575 806428838 /nfs/dbraw/zinc/42/88/38/806428838.db2.gz CJOPVQDBJKSPGC-DYVFJYSZSA-N 2 1 276.399 3.277 20 0 CGADMP COc1cccc(C(C)(C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254510016 806430530 /nfs/dbraw/zinc/43/05/30/806430530.db2.gz LHPKMXWENTZDKJ-OAHLLOKOSA-N 2 1 276.424 3.004 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001254515065 806434113 /nfs/dbraw/zinc/43/41/13/806434113.db2.gz RTVXZWBGYCCDKP-NHYWBVRUSA-N 2 1 280.362 3.026 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001254515065 806434115 /nfs/dbraw/zinc/43/41/15/806434115.db2.gz RTVXZWBGYCCDKP-NHYWBVRUSA-N 2 1 280.362 3.026 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254530414 806443581 /nfs/dbraw/zinc/44/35/81/806443581.db2.gz XROWGHYOZRPFDG-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254530414 806443584 /nfs/dbraw/zinc/44/35/84/806443584.db2.gz XROWGHYOZRPFDG-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530414 806443591 /nfs/dbraw/zinc/44/35/91/806443591.db2.gz XROWGHYOZRPFDG-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP CCc1nc(NC[C@H](C2CCCCC2)[NH+](C)C)cc(C)[nH+]1 ZINC001162103132 806504974 /nfs/dbraw/zinc/50/49/74/806504974.db2.gz AVUOVYCMPJQQBP-OAHLLOKOSA-N 2 1 290.455 3.270 20 0 CGADMP c1ccc2c(c1)CC([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001255026773 806527921 /nfs/dbraw/zinc/52/79/21/806527921.db2.gz CHSRKXYZXTXSCX-IBGZPJMESA-N 2 1 298.474 3.494 20 0 CGADMP Cc1cc([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)ccc1N(C)C ZINC001162472413 806594157 /nfs/dbraw/zinc/59/41/57/806594157.db2.gz XKVUSZFEDYRLNB-CABCVRRESA-N 2 1 275.440 3.109 20 0 CGADMP CCCC[C@H](C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001255326489 806612936 /nfs/dbraw/zinc/61/29/36/806612936.db2.gz RHWPVRVXKLUYMT-AWEZNQCLSA-N 2 1 292.471 3.120 20 0 CGADMP CCCC[C@@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001255334410 806620135 /nfs/dbraw/zinc/62/01/35/806620135.db2.gz QEDJZRTZGPQFAT-CQSZACIVSA-N 2 1 290.455 3.231 20 0 CGADMP CC1CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255376238 806627830 /nfs/dbraw/zinc/62/78/30/806627830.db2.gz AMDPHSXAFNQTDE-NXYGQSRBSA-N 2 1 272.436 3.429 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCC3CC3)CC2)cc1 ZINC001255385536 806631007 /nfs/dbraw/zinc/63/10/07/806631007.db2.gz IHTSILJRFSNSEX-SFHVURJKSA-N 2 1 272.436 3.431 20 0 CGADMP FC(F)C1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410012 806634922 /nfs/dbraw/zinc/63/49/22/806634922.db2.gz PFXZATRNWOZXFC-INIZCTEOSA-N 2 1 294.389 3.238 20 0 CGADMP FC(F)C1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410012 806634924 /nfs/dbraw/zinc/63/49/24/806634924.db2.gz PFXZATRNWOZXFC-INIZCTEOSA-N 2 1 294.389 3.238 20 0 CGADMP F[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403868 806635684 /nfs/dbraw/zinc/63/56/84/806635684.db2.gz QMSLGFCWLFESOA-ROUUACIJSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403868 806635687 /nfs/dbraw/zinc/63/56/87/806635687.db2.gz QMSLGFCWLFESOA-ROUUACIJSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403868 806635690 /nfs/dbraw/zinc/63/56/90/806635690.db2.gz QMSLGFCWLFESOA-ROUUACIJSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403868 806635691 /nfs/dbraw/zinc/63/56/91/806635691.db2.gz QMSLGFCWLFESOA-ROUUACIJSA-N 2 1 290.426 3.475 20 0 CGADMP C[N@H+]1CCC[C@H](n2cc(CC[NH3+])c3cc(Cl)ccc32)C1 ZINC001255471360 806646452 /nfs/dbraw/zinc/64/64/52/806646452.db2.gz XUQQAIRTTBAQOP-AWEZNQCLSA-N 2 1 291.826 3.063 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCO1 ZINC001255542888 806670150 /nfs/dbraw/zinc/67/01/50/806670150.db2.gz NFSAWAYFFDZGIH-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140919 798860748 /nfs/dbraw/zinc/86/07/48/798860748.db2.gz WBBGWWHCQJRHGE-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255667798 806700579 /nfs/dbraw/zinc/70/05/79/806700579.db2.gz UCGJGUXEKAWOCM-YZDRTPDPSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255667798 806700581 /nfs/dbraw/zinc/70/05/81/806700581.db2.gz UCGJGUXEKAWOCM-YZDRTPDPSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001255673429 806701820 /nfs/dbraw/zinc/70/18/20/806701820.db2.gz AAHVLIZECFJKBA-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001255673429 806701821 /nfs/dbraw/zinc/70/18/21/806701821.db2.gz AAHVLIZECFJKBA-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001255673429 806701822 /nfs/dbraw/zinc/70/18/22/806701822.db2.gz AAHVLIZECFJKBA-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001255673429 806701824 /nfs/dbraw/zinc/70/18/24/806701824.db2.gz AAHVLIZECFJKBA-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255689278 806706741 /nfs/dbraw/zinc/70/67/41/806706741.db2.gz IXUGJOZZBUMLJB-VXGBXAGGSA-N 2 1 266.351 3.168 20 0 CGADMP C[NH+](C)C1CC[NH+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255708714 806713233 /nfs/dbraw/zinc/71/32/33/806713233.db2.gz NPEYNKCXXKEQOB-AAEUAGOBSA-N 2 1 278.362 3.134 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255709035 806713574 /nfs/dbraw/zinc/71/35/74/806713574.db2.gz PAIQGTGSCUZCLN-QWRGUYRKSA-N 2 1 275.318 3.068 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CSc2ccc(F)cc2)CC1 ZINC001255734396 806725556 /nfs/dbraw/zinc/72/55/56/806725556.db2.gz WZGZNZHOGRVWLF-CYBMUJFWSA-N 2 1 296.455 3.380 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1C ZINC000300515168 799205170 /nfs/dbraw/zinc/20/51/70/799205170.db2.gz ASOORQXIESSYEG-CVEARBPZSA-N 2 1 260.425 3.171 20 0 CGADMP CCCC1CCC([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000381510329 799382205 /nfs/dbraw/zinc/38/22/05/799382205.db2.gz OLRBQTFDQAKXQO-HWOWSKLDSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000382825215 799397728 /nfs/dbraw/zinc/39/77/28/799397728.db2.gz BWILXJLXCAHPPI-XJKCOSOUSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000382825215 799397731 /nfs/dbraw/zinc/39/77/31/799397731.db2.gz BWILXJLXCAHPPI-XJKCOSOUSA-N 2 1 280.843 3.201 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1F ZINC000384479015 799416376 /nfs/dbraw/zinc/41/63/76/799416376.db2.gz WTLKBKBVZLJEKR-KRWDZBQOSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1F ZINC000384479015 799416382 /nfs/dbraw/zinc/41/63/82/799416382.db2.gz WTLKBKBVZLJEKR-KRWDZBQOSA-N 2 1 276.399 3.100 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc3[nH]ccc3c[nH+]2)[C@H](C)C1 ZINC001163363381 806747282 /nfs/dbraw/zinc/74/72/82/806747282.db2.gz QMHLWLYRUDNVCD-TZMCWYRMSA-N 2 1 272.396 3.094 20 0 CGADMP CSC(C)(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000385336441 799425122 /nfs/dbraw/zinc/42/51/22/799425122.db2.gz WEFCXRRCMCIPOR-AGUYFDCRSA-N 2 1 270.486 3.123 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000386221168 799433048 /nfs/dbraw/zinc/43/30/48/799433048.db2.gz OKKCTEAJKUUYQC-IAFLDTSXSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000386221168 799433053 /nfs/dbraw/zinc/43/30/53/799433053.db2.gz OKKCTEAJKUUYQC-IAFLDTSXSA-N 2 1 284.447 3.254 20 0 CGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000387305206 799445722 /nfs/dbraw/zinc/44/57/22/799445722.db2.gz ZFKCKMROPWOYBL-JSGCOSHPSA-N 2 1 270.367 3.270 20 0 CGADMP CC(C)Oc1cc[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001163366181 806751406 /nfs/dbraw/zinc/75/14/06/806751406.db2.gz SGAAMSBZMBGDNB-ZBFHGGJFSA-N 2 1 291.439 3.400 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cc2ccccc2o1 ZINC000405236389 799582773 /nfs/dbraw/zinc/58/27/73/799582773.db2.gz DVZJCESYDMYIGS-XZJROXQQSA-N 2 1 270.376 3.353 20 0 CGADMP C[C@H](Cc1ccccc1F)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001255855266 806770497 /nfs/dbraw/zinc/77/04/97/806770497.db2.gz UYWCVOVZANOROV-CYBMUJFWSA-N 2 1 287.382 3.293 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000690736573 799778911 /nfs/dbraw/zinc/77/89/11/799778911.db2.gz AWSBOEWPOJTURK-JTQLQIEISA-N 2 1 273.207 3.164 20 0 CGADMP Clc1ncc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000692874257 799802178 /nfs/dbraw/zinc/80/21/78/799802178.db2.gz USODLNKVRULFNO-LBPRGKRZSA-N 2 1 299.871 3.008 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000696997648 799842328 /nfs/dbraw/zinc/84/23/28/799842328.db2.gz HINYTORZRMFCEM-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000696997648 799842332 /nfs/dbraw/zinc/84/23/32/799842332.db2.gz HINYTORZRMFCEM-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCCC[NH2+]C1 ZINC000697086691 799842774 /nfs/dbraw/zinc/84/27/74/799842774.db2.gz LPOVQWSLYMNCLI-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCCC[NH2+]C1 ZINC000697086691 799842777 /nfs/dbraw/zinc/84/27/77/799842777.db2.gz LPOVQWSLYMNCLI-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCCC1 ZINC000699262568 799859703 /nfs/dbraw/zinc/85/97/03/799859703.db2.gz DQOFNDFAUOGSEG-GOOCMWNKSA-N 2 1 250.430 3.172 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001255950271 806794229 /nfs/dbraw/zinc/79/42/29/806794229.db2.gz GOKGGTCMVWIMGJ-RHSMWYFYSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000709680248 800013621 /nfs/dbraw/zinc/01/36/21/800013621.db2.gz XOQORDNPEJLNCC-CQSZACIVSA-N 2 1 282.472 3.044 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC001255953745 806796494 /nfs/dbraw/zinc/79/64/94/806796494.db2.gz NTVXCUGBZXEPPY-DYVFJYSZSA-N 2 1 293.430 3.382 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710760337 800038003 /nfs/dbraw/zinc/03/80/03/800038003.db2.gz SBTSVDOCNHSKPP-KRWDZBQOSA-N 2 1 262.441 3.459 20 0 CGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)CC[NH+](CC)CC)C2 ZINC001255961616 806799393 /nfs/dbraw/zinc/79/93/93/806799393.db2.gz XCTKSKWTKUCGMO-KSZLIROESA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC001255970322 806801411 /nfs/dbraw/zinc/80/14/11/806801411.db2.gz CFAWWRMRWLKQGL-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC001255965054 806801698 /nfs/dbraw/zinc/80/16/98/806801698.db2.gz XJQGJHMQTQYGHI-CYBMUJFWSA-N 2 1 254.443 3.300 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC001255965054 806801707 /nfs/dbraw/zinc/80/17/07/806801707.db2.gz XJQGJHMQTQYGHI-CYBMUJFWSA-N 2 1 254.443 3.300 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000717464982 800201995 /nfs/dbraw/zinc/20/19/95/800201995.db2.gz MZSNSHHTKGYVIR-UGUYLWEFSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cccc(C[N@@H+](C)C2CC[NH+](C3CC3)CC2)c1 ZINC001256073413 806812898 /nfs/dbraw/zinc/81/28/98/806812898.db2.gz UQORBSOFGJOMTB-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP Cc1cccc(C[N@H+](C)C2CC[NH+](C3CC3)CC2)c1 ZINC001256073413 806812904 /nfs/dbraw/zinc/81/29/04/806812904.db2.gz UQORBSOFGJOMTB-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105328 806820299 /nfs/dbraw/zinc/82/02/99/806820299.db2.gz CTVIYPOEZSZNAJ-JKSUJKDBSA-N 2 1 269.392 3.283 20 0 CGADMP C[N@@H+]([C@@H]1CCc2ccccc21)C1CCN(C2CC2)CC1 ZINC001256082905 806816459 /nfs/dbraw/zinc/81/64/59/806816459.db2.gz NCBRDXYYUGCRSV-GOSISDBHSA-N 2 1 270.420 3.233 20 0 CGADMP C[N@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](C2CC2)CC1 ZINC001256082905 806816466 /nfs/dbraw/zinc/81/64/66/806816466.db2.gz NCBRDXYYUGCRSV-GOSISDBHSA-N 2 1 270.420 3.233 20 0 CGADMP C[N@@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](C2CC2)CC1 ZINC001256082905 806816469 /nfs/dbraw/zinc/81/64/69/806816469.db2.gz NCBRDXYYUGCRSV-GOSISDBHSA-N 2 1 270.420 3.233 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C[C@@H]1C ZINC000721500321 800290015 /nfs/dbraw/zinc/29/00/15/800290015.db2.gz DNQSAROKAPTPRH-IDCJVQTKSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C[C@@H]1C ZINC000721500321 800290019 /nfs/dbraw/zinc/29/00/19/800290019.db2.gz DNQSAROKAPTPRH-IDCJVQTKSA-N 2 1 272.436 3.197 20 0 CGADMP COc1cccc(C[C@@H](C)[N@H+](CC[NH3+])Cc2ccccc2)c1 ZINC001256143923 806833233 /nfs/dbraw/zinc/83/32/33/806833233.db2.gz JREQAVPYFCNPSR-MRXNPFEDSA-N 2 1 298.430 3.087 20 0 CGADMP COc1cccc(C[C@@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)c1 ZINC001256143923 806833240 /nfs/dbraw/zinc/83/32/40/806833240.db2.gz JREQAVPYFCNPSR-MRXNPFEDSA-N 2 1 298.430 3.087 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000822123882 800459866 /nfs/dbraw/zinc/45/98/66/800459866.db2.gz GURIPYNJWOZIJQ-SJORKVTESA-N 2 1 260.425 3.082 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000925706819 800632136 /nfs/dbraw/zinc/63/21/36/800632136.db2.gz OCKSBWKCWFWBHA-ZCPGHIKRSA-N 2 1 258.409 3.101 20 0 CGADMP CCc1cccc(NCc2cccnc2C2CC[NH2+]CC2)[nH+]1 ZINC001163915195 806850495 /nfs/dbraw/zinc/85/04/95/806850495.db2.gz UFLOVIDAELOSJC-UHFFFAOYSA-N 2 1 296.418 3.118 20 0 CGADMP C[NH+](C)Cc1cccc(CNc2cc3[nH+]c[nH]c3cc2F)c1 ZINC001163999488 806871796 /nfs/dbraw/zinc/87/17/96/806871796.db2.gz ZDBJCJRKRHJLCM-UHFFFAOYSA-N 2 1 298.365 3.376 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256525774 806909328 /nfs/dbraw/zinc/90/93/28/806909328.db2.gz FAMPTOSRAYLASU-LEUOFYLZSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256525774 806909333 /nfs/dbraw/zinc/90/93/33/806909333.db2.gz FAMPTOSRAYLASU-LEUOFYLZSA-N 2 1 290.426 3.377 20 0 CGADMP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256569838 806918776 /nfs/dbraw/zinc/91/87/76/806918776.db2.gz QBGHMBKSECVXOT-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256569838 806918782 /nfs/dbraw/zinc/91/87/82/806918782.db2.gz QBGHMBKSECVXOT-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001256572868 806918834 /nfs/dbraw/zinc/91/88/34/806918834.db2.gz ZLTSIZHOKUQOQD-KRWDZBQOSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001256572868 806918841 /nfs/dbraw/zinc/91/88/41/806918841.db2.gz ZLTSIZHOKUQOQD-KRWDZBQOSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001256572403 806919396 /nfs/dbraw/zinc/91/93/96/806919396.db2.gz RAMRRYYCZMEFPT-KRWDZBQOSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001256572403 806919398 /nfs/dbraw/zinc/91/93/98/806919398.db2.gz RAMRRYYCZMEFPT-KRWDZBQOSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001256615455 806926045 /nfs/dbraw/zinc/92/60/45/806926045.db2.gz IHQDYKNYFVTCBZ-ALOPSCKCSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1ccc(F)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256619091 806927472 /nfs/dbraw/zinc/92/74/72/806927472.db2.gz SBAGFDDQJCHEBF-WWTUQBGBSA-N 2 1 276.399 3.410 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629332 806932589 /nfs/dbraw/zinc/93/25/89/806932589.db2.gz AAOIFFJUCUWTQM-BXEVVDMOSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629332 806932594 /nfs/dbraw/zinc/93/25/94/806932594.db2.gz AAOIFFJUCUWTQM-BXEVVDMOSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629332 806932596 /nfs/dbraw/zinc/93/25/96/806932596.db2.gz AAOIFFJUCUWTQM-BXEVVDMOSA-N 2 1 270.420 3.058 20 0 CGADMP Cc1c[nH+]c(N2CCC(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001165064789 806966961 /nfs/dbraw/zinc/96/69/61/806966961.db2.gz AITKAEHQILQGEW-UHFFFAOYSA-N 2 1 287.451 3.257 20 0 CGADMP Fc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118180742 802533969 /nfs/dbraw/zinc/53/39/69/802533969.db2.gz MKOVQNMHWADXRV-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC001119375435 802655719 /nfs/dbraw/zinc/65/57/19/802655719.db2.gz FNIOPGXBEHXNJA-HLLBOEOZSA-N 2 1 258.409 3.069 20 0 CGADMP [NH3+]CCc1cccc(N[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256908738 807007416 /nfs/dbraw/zinc/00/74/16/807007416.db2.gz PYMORCDRSXIHOX-KRWDZBQOSA-N 2 1 287.451 3.007 20 0 CGADMP [NH3+]Cc1ccc2nn([C@@H]3CCC[N@H+](C4CCCC4)C3)cc2c1 ZINC001256901615 807005966 /nfs/dbraw/zinc/00/59/66/807005966.db2.gz ZFNIFVGLENDVKV-QGZVFWFLSA-N 2 1 298.434 3.075 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280690 812928871 /nfs/dbraw/zinc/92/88/71/812928871.db2.gz FZWKOKPTMGJKLJ-OAHLLOKOSA-N 2 1 264.438 3.112 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@@H]1C ZINC001208185028 813736328 /nfs/dbraw/zinc/73/63/28/813736328.db2.gz UCMBDQKTKNGRSS-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP Fc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c2occc21 ZINC001244930565 803581862 /nfs/dbraw/zinc/58/18/62/803581862.db2.gz IURJQDQAZRAECK-UHFFFAOYSA-N 2 1 297.333 3.044 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC001137284263 803707769 /nfs/dbraw/zinc/70/77/69/803707769.db2.gz KIAXJLAYMPOWOO-ROUUACIJSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1cc(C)c(C2=CC[C@@H]([NH+]3CCOCC3)CC2)c(C)[nH+]1 ZINC001245426903 803734520 /nfs/dbraw/zinc/73/45/20/803734520.db2.gz DKOREXUZXQUIBV-QGZVFWFLSA-N 2 1 286.419 3.275 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC001138548477 803963497 /nfs/dbraw/zinc/96/34/97/803963497.db2.gz FGDFCJDWXAAMGE-CALCHBBNSA-N 2 1 281.403 3.269 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC001138548477 803963502 /nfs/dbraw/zinc/96/35/02/803963502.db2.gz FGDFCJDWXAAMGE-CALCHBBNSA-N 2 1 281.403 3.269 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246073466 804112844 /nfs/dbraw/zinc/11/28/44/804112844.db2.gz YMUIDMYVGRHQHT-YJBOKZPZSA-N 2 1 280.415 3.159 20 0 CGADMP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC[NH3+] ZINC001246079415 804117289 /nfs/dbraw/zinc/11/72/89/804117289.db2.gz PIXHYUGKFRAIOM-OAHLLOKOSA-N 2 1 268.404 3.145 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246093809 804125549 /nfs/dbraw/zinc/12/55/49/804125549.db2.gz YBFGIMHZWDPXEV-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246107392 804140652 /nfs/dbraw/zinc/14/06/52/804140652.db2.gz AWNVFEPWPPCSNH-GVDBMIGSSA-N 2 1 258.409 3.054 20 0 CGADMP CCCCCC[C@H](C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246115670 804147640 /nfs/dbraw/zinc/14/76/40/804147640.db2.gz RYKJVGKWYSEIQN-LSDHHAIUSA-N 2 1 258.425 3.417 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C[NH2+]1 ZINC001246157231 804174161 /nfs/dbraw/zinc/17/41/61/804174161.db2.gz BEWDPICFZXKXIO-RDJZCZTQSA-N 2 1 296.414 3.361 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2c(Cl)cccc2Cl)CN1 ZINC001246161446 804176949 /nfs/dbraw/zinc/17/69/49/804176949.db2.gz YMCFSGVDDSNOSD-MNOVXSKESA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2c(Cl)cccc2Cl)C[NH2+]1 ZINC001246161446 804176951 /nfs/dbraw/zinc/17/69/51/804176951.db2.gz YMCFSGVDDSNOSD-MNOVXSKESA-N 2 1 287.234 3.266 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246161984 804178928 /nfs/dbraw/zinc/17/89/28/804178928.db2.gz UXSBRZFOUWZCAW-MWDXBVQZSA-N 2 1 282.472 3.092 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246161985 804179133 /nfs/dbraw/zinc/17/91/33/804179133.db2.gz UXSBRZFOUWZCAW-QBPKDAKJSA-N 2 1 282.472 3.092 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)CC(C)(C)C1 ZINC001246162500 804179281 /nfs/dbraw/zinc/17/92/81/804179281.db2.gz ZFEJYLBIPXMPEY-XLMAVXFVSA-N 2 1 294.483 3.092 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001246167092 804183181 /nfs/dbraw/zinc/18/31/81/804183181.db2.gz CLJVUHCKSADBCU-FGTMMUONSA-N 2 1 272.436 3.445 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246169392 804184192 /nfs/dbraw/zinc/18/41/92/804184192.db2.gz NGIFKKJOSLNDIQ-SJORKVTESA-N 2 1 260.425 3.130 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H]2CCCCN2)cc1 ZINC001246170774 804185866 /nfs/dbraw/zinc/18/58/66/804185866.db2.gz SVPMRIFOELIKRP-CABCVRRESA-N 2 1 278.465 3.207 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246212314 804209773 /nfs/dbraw/zinc/20/97/73/804209773.db2.gz NMYKCGMBCYLPST-BCDXTJNWSA-N 3 1 295.515 3.151 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(F)c1 ZINC001246233724 804227200 /nfs/dbraw/zinc/22/72/00/804227200.db2.gz LPKQPXLVMWCYQJ-GDBMZVCRSA-N 2 1 278.415 3.390 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001246266325 804246529 /nfs/dbraw/zinc/24/65/29/804246529.db2.gz JYBFTBQUPWJBTN-VQIMIIECSA-N 2 1 282.431 3.086 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1F ZINC001246276214 804253491 /nfs/dbraw/zinc/25/34/91/804253491.db2.gz KSDCBGPGGUUNKE-XEZPLFJOSA-N 2 1 264.388 3.397 20 0 CGADMP CC(C)([NH2+][C@H]1CC[NH2+]C(C)(C)C1)c1cc(F)cc(F)c1 ZINC001246282420 804258181 /nfs/dbraw/zinc/25/81/81/804258181.db2.gz WESIZSNAMMXPFM-AWEZNQCLSA-N 2 1 282.378 3.320 20 0 CGADMP CCCCCC(CCCCC)N[C@H]([NH3+])CCC[NH3+] ZINC001246302104 804268456 /nfs/dbraw/zinc/26/84/56/804268456.db2.gz WDCMQXPRMBKGRG-HNNXBMFYSA-N 2 1 257.466 3.129 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C(C)C)C1)c1ccc(C)o1 ZINC001246306851 804269184 /nfs/dbraw/zinc/26/91/84/804269184.db2.gz LRRHQIFKYDBBBL-RBSFLKMASA-N 2 1 264.413 3.405 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246320617 804278855 /nfs/dbraw/zinc/27/88/55/804278855.db2.gz ZLTBUDUTMZQUOE-CABZTGNLSA-N 2 1 275.223 3.251 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(OC)c2)CC[NH2+]1 ZINC001246319482 804279530 /nfs/dbraw/zinc/27/95/30/804279530.db2.gz WTNLPCGSUSTAOE-JKSUJKDBSA-N 2 1 294.414 3.235 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2F)C[C@H](CC)[NH2+]1 ZINC001246355250 804301925 /nfs/dbraw/zinc/30/19/25/804301925.db2.gz YSBOUVMGDHVRLB-QDMKHBRRSA-N 2 1 294.414 3.233 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CNc4ccccc43)CCN2)cc1 ZINC001246355115 804302615 /nfs/dbraw/zinc/30/26/15/804302615.db2.gz IOSQZDJXBCFXIH-SNRMKQJTSA-N 2 1 293.414 3.236 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2cc(OC)ccc2F)C[C@H](CC)[NH2+]1 ZINC001246358505 804303518 /nfs/dbraw/zinc/30/35/18/804303518.db2.gz QMHWVICBZWCLMC-KBPBESRZSA-N 2 1 294.414 3.233 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246357542 804303538 /nfs/dbraw/zinc/30/35/38/804303538.db2.gz VXMYUEHDXUDRFD-XJIUQZFPSA-N 2 1 273.424 3.052 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](NC2C[C@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246360192 804304482 /nfs/dbraw/zinc/30/44/82/804304482.db2.gz GCFQAAUFTSGOPT-JYJNAYRXSA-N 2 1 295.515 3.148 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246357977 804304630 /nfs/dbraw/zinc/30/46/30/804304630.db2.gz BQMBHNLMLQXLSQ-BSWAZPDLSA-N 2 1 258.409 3.053 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CCC2)CC[NH2+]1 ZINC001246363935 804306666 /nfs/dbraw/zinc/30/66/66/804306666.db2.gz GMECKTMKLVGZDZ-KBPBESRZSA-N 2 1 276.399 3.325 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+](C)CCC[NH+](C)C ZINC001139883851 804312379 /nfs/dbraw/zinc/31/23/79/804312379.db2.gz KZOWJSMNSPCPTM-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+](C)CCC[NH+](C)C ZINC001139883851 804312385 /nfs/dbraw/zinc/31/23/85/804312385.db2.gz KZOWJSMNSPCPTM-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP FC(F)(F)c1cccc(CC2([NH2+][C@H]3CC[NH2+]C3)CCC2)c1 ZINC001246391598 804318953 /nfs/dbraw/zinc/31/89/53/804318953.db2.gz NNBGUWKYECMKEG-AWEZNQCLSA-N 2 1 298.352 3.122 20 0 CGADMP Cc1ccccc1CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246432213 804330318 /nfs/dbraw/zinc/33/03/18/804330318.db2.gz DIESJKMNTAAUQM-NVXWUHKLSA-N 2 1 274.452 3.294 20 0 CGADMP CCCCCC(CCCCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453376 804336895 /nfs/dbraw/zinc/33/68/95/804336895.db2.gz NPEVGJXPVMHUMU-UHFFFAOYSA-N 3 1 285.520 3.434 20 0 CGADMP CC[C@]1([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC[NH2+]C1 ZINC001246460418 804342555 /nfs/dbraw/zinc/34/25/55/804342555.db2.gz MLXXENLJUGVQKV-NHYWBVRUSA-N 2 1 284.806 3.142 20 0 CGADMP CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1-n1ccnc1C ZINC001140025546 804353928 /nfs/dbraw/zinc/35/39/28/804353928.db2.gz CNSMGHTUULIOED-KRWDZBQOSA-N 2 1 297.402 3.124 20 0 CGADMP CC(=O)[C@@H]1CCCCN1Cc1ccccc1-n1ccnc1C ZINC001140025546 804353935 /nfs/dbraw/zinc/35/39/35/804353935.db2.gz CNSMGHTUULIOED-KRWDZBQOSA-N 2 1 297.402 3.124 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246482992 804355731 /nfs/dbraw/zinc/35/57/31/804355731.db2.gz QWWVONSNOZCCSH-STQMWFEESA-N 2 1 262.388 3.036 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001140023788 804356274 /nfs/dbraw/zinc/35/62/74/804356274.db2.gz XPLXLILWZOAMIW-IUODEOHRSA-N 2 1 273.355 3.113 20 0 CGADMP Cc1nccn1-c1ccccc1CN1C[C@H](F)C[C@H]1C ZINC001140023788 804356278 /nfs/dbraw/zinc/35/62/78/804356278.db2.gz XPLXLILWZOAMIW-IUODEOHRSA-N 2 1 273.355 3.113 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC[NH2+]1 ZINC001246493873 804358281 /nfs/dbraw/zinc/35/82/81/804358281.db2.gz AYWJLHHBAIUYHS-KURKYZTESA-N 2 1 295.515 3.138 20 0 CGADMP C[C@@H]1CC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)C[C@@H](C)[NH2+]1 ZINC001246495819 804360569 /nfs/dbraw/zinc/36/05/69/804360569.db2.gz BFEVORHSZVOAKN-CZIZLABSSA-N 2 1 294.389 3.461 20 0 CGADMP CCCC(C[NH3+])(CCC)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246494078 804361107 /nfs/dbraw/zinc/36/11/07/804361107.db2.gz CZOAWLAEMUBWFG-MRXNPFEDSA-N 2 1 295.515 3.281 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001246494532 804361303 /nfs/dbraw/zinc/36/13/03/804361303.db2.gz HFEINUBPSIKFJZ-CQSZACIVSA-N 2 1 278.415 3.180 20 0 CGADMP Clc1ccc([C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246514126 804369610 /nfs/dbraw/zinc/36/96/10/804369610.db2.gz HFPDVFSJAQXIEZ-HOTGVXAUSA-N 2 1 278.827 3.175 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246519332 804372702 /nfs/dbraw/zinc/37/27/02/804372702.db2.gz MGMSCDSJWCFDHU-CVEARBPZSA-N 2 1 260.425 3.285 20 0 CGADMP CCC[N@@H+](CC1CC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246531845 804383941 /nfs/dbraw/zinc/38/39/41/804383941.db2.gz OCAHJSSWKRUGCE-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)CC2 ZINC001246540481 804387870 /nfs/dbraw/zinc/38/78/70/804387870.db2.gz AOXJWJMJAKODHU-UHFFFAOYSA-N 2 1 284.447 3.275 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539065 804389471 /nfs/dbraw/zinc/38/94/71/804389471.db2.gz APGJRCKAYKQNCO-JSGCOSHPSA-N 2 1 282.428 3.120 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246546345 804395517 /nfs/dbraw/zinc/39/55/17/804395517.db2.gz JSECJRDCDRZGSW-QGZVFWFLSA-N 2 1 284.447 3.275 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246547464 804395601 /nfs/dbraw/zinc/39/56/01/804395601.db2.gz PUYLRFZDPXSDFY-DLBZAZTESA-N 2 1 260.425 3.211 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246552068 804401970 /nfs/dbraw/zinc/40/19/70/804401970.db2.gz NQUGZEIXQGPNRA-SJORKVTESA-N 2 1 292.854 3.401 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246554544 804403922 /nfs/dbraw/zinc/40/39/22/804403922.db2.gz WHTADWAPEMEXQE-NVXWUHKLSA-N 2 1 260.425 3.129 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001246555384 804404077 /nfs/dbraw/zinc/40/40/77/804404077.db2.gz DVNMLYJVYWMZOL-TXPKVOOTSA-N 2 1 288.479 3.487 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC3(CC3)CC2)CC[C@@H]1C[NH3+] ZINC001246553811 804404088 /nfs/dbraw/zinc/40/40/88/804404088.db2.gz AEQUCNUSIJJDAQ-UONOGXRCSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246554401 804404103 /nfs/dbraw/zinc/40/41/03/804404103.db2.gz WIEUEEYFFXLWDL-NFAWXSAZSA-N 2 1 280.843 3.188 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001246555378 804404828 /nfs/dbraw/zinc/40/48/28/804404828.db2.gz DVNMLYJVYWMZOL-BXWFABGCSA-N 2 1 288.479 3.487 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](C2CCC3(CCCC3)CC2)CCC1(F)F ZINC001246555478 804405948 /nfs/dbraw/zinc/40/59/48/804405948.db2.gz GVNCHRGEMKXVOF-CYBMUJFWSA-N 2 1 286.410 3.405 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001246561911 804409177 /nfs/dbraw/zinc/40/91/77/804409177.db2.gz HBSRRDSXSBGKSQ-RYKRPPSOSA-N 2 1 288.435 3.046 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1)CC2 ZINC001246562676 804412179 /nfs/dbraw/zinc/41/21/79/804412179.db2.gz VZPYCRVIRDMMDS-SZVBFZGTSA-N 2 1 286.463 3.159 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568412 804415862 /nfs/dbraw/zinc/41/58/62/804415862.db2.gz SDUDTTGXFHKUOG-VNHYZAJKSA-N 2 1 296.480 3.349 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@H](C)C2)CC[NH2+]1 ZINC001246571156 804417925 /nfs/dbraw/zinc/41/79/25/804417925.db2.gz HRVVIWHMBZDVJX-JJXSEGSLSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1C ZINC001246573686 804420881 /nfs/dbraw/zinc/42/08/81/804420881.db2.gz LQBICPDKUVQTJF-YYIAUSFCSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001246574871 804422036 /nfs/dbraw/zinc/42/20/36/804422036.db2.gz JJTYJEXUNKUYBJ-QAPCUYQASA-N 2 1 290.426 3.134 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246581607 804425923 /nfs/dbraw/zinc/42/59/23/804425923.db2.gz ZFGRCCOGUVZXSV-GPANFISMSA-N 2 1 252.446 3.406 20 0 CGADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246581642 804426524 /nfs/dbraw/zinc/42/65/24/804426524.db2.gz ZNXHMUMKYTVXTQ-MAUKXSAKSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246583166 804428546 /nfs/dbraw/zinc/42/85/46/804428546.db2.gz PUAOUPSYBIMHIK-STQMWFEESA-N 2 1 298.833 3.471 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591945 804434223 /nfs/dbraw/zinc/43/42/23/804434223.db2.gz JYICUDLPVUFBEX-DLBZAZTESA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246593858 804434938 /nfs/dbraw/zinc/43/49/38/804434938.db2.gz TVZDTWMTMLCDFY-NZSAHSFTSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598856 804438930 /nfs/dbraw/zinc/43/89/30/804438930.db2.gz BJLJQMRQRQYZQA-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246602995 804440304 /nfs/dbraw/zinc/44/03/04/804440304.db2.gz LDLWOTLBHJULQC-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246602995 804440309 /nfs/dbraw/zinc/44/03/09/804440309.db2.gz LDLWOTLBHJULQC-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP Nc1[nH+]cccc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001212399605 815018093 /nfs/dbraw/zinc/01/80/93/815018093.db2.gz GGJYPOSEIAHURM-UHFFFAOYSA-N 2 1 268.364 3.003 20 0 CGADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246607260 804441387 /nfs/dbraw/zinc/44/13/87/804441387.db2.gz CUSDLKQVOVFNMB-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246609807 804444674 /nfs/dbraw/zinc/44/46/74/804444674.db2.gz NLZHAUWYZBHQQM-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246610270 804445174 /nfs/dbraw/zinc/44/51/74/804445174.db2.gz MFUHWHCAROFEFK-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246610270 804445179 /nfs/dbraw/zinc/44/51/79/804445179.db2.gz MFUHWHCAROFEFK-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)C[C@@H]1C ZINC001246611597 804445659 /nfs/dbraw/zinc/44/56/59/804445659.db2.gz GQTVJNMKWKMXNW-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613940 804447985 /nfs/dbraw/zinc/44/79/85/804447985.db2.gz LTKYOLRDNIKJBY-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613940 804447988 /nfs/dbraw/zinc/44/79/88/804447988.db2.gz LTKYOLRDNIKJBY-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246614721 804448290 /nfs/dbraw/zinc/44/82/90/804448290.db2.gz ULHWRYVZPWVKQP-CRAIPNDOSA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246614721 804448295 /nfs/dbraw/zinc/44/82/95/804448295.db2.gz ULHWRYVZPWVKQP-CRAIPNDOSA-N 2 1 272.436 3.008 20 0 CGADMP C1CCC2(C1)CCC([N@@H+]1CC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246615441 804449867 /nfs/dbraw/zinc/44/98/67/804449867.db2.gz TUACCRDEEZIPML-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1CC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246615441 804449870 /nfs/dbraw/zinc/44/98/70/804449870.db2.gz TUACCRDEEZIPML-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP CC1(C)CCC[C@@H]([NH+]2CCC3(CCC[NH2+]3)CC2)C1 ZINC001246620409 804453560 /nfs/dbraw/zinc/45/35/60/804453560.db2.gz BIJAJBLTGGBZNY-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246624605 804457553 /nfs/dbraw/zinc/45/75/53/804457553.db2.gz VMIUGBJNGQVGRW-QGZVFWFLSA-N 2 1 282.472 3.190 20 0 CGADMP C1[NH2+]C[C@H]2C[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]12 ZINC001246628069 804458657 /nfs/dbraw/zinc/45/86/57/804458657.db2.gz WSTGQIXCPOAPOR-XHSDSOJGSA-N 2 1 262.441 3.031 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246628091 804459123 /nfs/dbraw/zinc/45/91/23/804459123.db2.gz AICATHONSGJFKZ-UHFFFAOYSA-N 2 1 284.447 3.083 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246630151 804460128 /nfs/dbraw/zinc/46/01/28/804460128.db2.gz IFTBOCZCTNNTEZ-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246629700 804460522 /nfs/dbraw/zinc/46/05/22/804460522.db2.gz HHYSBLJPTOHVCY-IRXDYDNUSA-N 2 1 270.420 3.008 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632258 804462010 /nfs/dbraw/zinc/46/20/10/804462010.db2.gz WHYVSIBUUPTICL-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)C2)cc1 ZINC001246631870 804463012 /nfs/dbraw/zinc/46/30/12/804463012.db2.gz UALHDKOMPQBZKS-VSZNYVQBSA-N 2 1 270.420 3.007 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)C[C@@H]21 ZINC001246633260 804464171 /nfs/dbraw/zinc/46/41/71/804464171.db2.gz KZHNROWGSWEQCR-MPTYRVRUSA-N 2 1 262.441 3.029 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)C[C@@H]21 ZINC001246633260 804464174 /nfs/dbraw/zinc/46/41/74/804464174.db2.gz KZHNROWGSWEQCR-MPTYRVRUSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246632947 804464719 /nfs/dbraw/zinc/46/47/19/804464719.db2.gz IUIMAZOSLREXCK-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246638259 804465620 /nfs/dbraw/zinc/46/56/20/804465620.db2.gz KDHFNRAWGRDWNG-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1CC([N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C[C@H](C)C1 ZINC001246634770 804465639 /nfs/dbraw/zinc/46/56/39/804465639.db2.gz PGIXLPPVZPRIDS-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C[C@H](C)C1 ZINC001246634770 804465642 /nfs/dbraw/zinc/46/56/42/804465642.db2.gz PGIXLPPVZPRIDS-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246638936 804468051 /nfs/dbraw/zinc/46/80/51/804468051.db2.gz LXEDAUFJLJSYRV-UHFFFAOYSA-N 2 1 264.457 3.277 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246642430 804468944 /nfs/dbraw/zinc/46/89/44/804468944.db2.gz WNVRLBHAZBOSMB-IRXDYDNUSA-N 2 1 282.472 3.047 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C1 ZINC001246642945 804470556 /nfs/dbraw/zinc/47/05/56/804470556.db2.gz FTPXNAYHBVSOEV-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246643713 804470856 /nfs/dbraw/zinc/47/08/56/804470856.db2.gz CPQFDSYGUNMSDN-VSZNYVQBSA-N 2 1 270.420 3.007 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC001246645159 804472011 /nfs/dbraw/zinc/47/20/11/804472011.db2.gz BRPRXBWJVAAHHI-OAHLLOKOSA-N 2 1 290.476 3.304 20 0 CGADMP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246648813 804474915 /nfs/dbraw/zinc/47/49/15/804474915.db2.gz ZQJKJTCNYBZPGT-PBHICJAKSA-N 2 1 276.424 3.065 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246648103 804475313 /nfs/dbraw/zinc/47/53/13/804475313.db2.gz OKSWSIMFBRQEPD-AILXTGBUSA-N 2 1 296.458 3.107 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246649531 804476625 /nfs/dbraw/zinc/47/66/25/804476625.db2.gz CMFDEMJOTVVZLQ-PMACEKPBSA-N 2 1 298.474 3.460 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246648830 804476709 /nfs/dbraw/zinc/47/67/09/804476709.db2.gz ZWXHDSZCMFCWFX-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649396 804476990 /nfs/dbraw/zinc/47/69/90/804476990.db2.gz PEQCUTGBCVNDDV-BBRMVZONSA-N 2 1 278.827 3.099 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649396 804476991 /nfs/dbraw/zinc/47/69/91/804476991.db2.gz PEQCUTGBCVNDDV-BBRMVZONSA-N 2 1 278.827 3.099 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246650265 804478451 /nfs/dbraw/zinc/47/84/51/804478451.db2.gz SHEDVBAKNQTFLE-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@H]4CCC[C@H]4C3)CC[NH2+]2)cc1 ZINC001246656156 804480037 /nfs/dbraw/zinc/48/00/37/804480037.db2.gz MNEJXIDPPNIWJZ-IYWMVGAKSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@H]4CCC[C@H]4C3)CC[NH2+]2)cc1 ZINC001246656156 804480041 /nfs/dbraw/zinc/48/00/41/804480041.db2.gz MNEJXIDPPNIWJZ-IYWMVGAKSA-N 2 1 298.474 3.472 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@]23CCC[NH2+]C3)C1 ZINC001246654535 804481137 /nfs/dbraw/zinc/48/11/37/804481137.db2.gz WKLMQICMZDCVRQ-OWCLPIDISA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCC3(CCCC3)CC2)CC[NH2+]1 ZINC001246657717 804482185 /nfs/dbraw/zinc/48/21/85/804482185.db2.gz PTTLSTRZTUFHCZ-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246660360 804483307 /nfs/dbraw/zinc/48/33/07/804483307.db2.gz SOSSDCXMBSKEAG-MUJYYYPQSA-N 2 1 262.441 3.316 20 0 CGADMP C1[C@H]2CC[NH2+]C[C@H]2[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246664118 804486390 /nfs/dbraw/zinc/48/63/90/804486390.db2.gz OLONGJLYHMQICY-OWCLPIDISA-N 2 1 262.441 3.173 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665966 804487195 /nfs/dbraw/zinc/48/71/95/804487195.db2.gz VMROXUMCHYXIES-LVQVYYBASA-N 2 1 252.446 3.405 20 0 CGADMP CC1CCC([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246676954 804491487 /nfs/dbraw/zinc/49/14/87/804491487.db2.gz FGGPDFFMYRCCEQ-VUROTCPHSA-N 2 1 264.457 3.277 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246676312 804491779 /nfs/dbraw/zinc/49/17/79/804491779.db2.gz DCVUQCDWDQDVTD-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246767242 804501095 /nfs/dbraw/zinc/50/10/95/804501095.db2.gz AVYWCNCCFHQDRD-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC)CC[NH2+]1 ZINC001246769117 804503215 /nfs/dbraw/zinc/50/32/15/804503215.db2.gz IFQAWMCWHKCRFK-SJORKVTESA-N 2 1 290.451 3.438 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC)CC[NH2+]1 ZINC001246769117 804503222 /nfs/dbraw/zinc/50/32/22/804503222.db2.gz IFQAWMCWHKCRFK-SJORKVTESA-N 2 1 290.451 3.438 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@@H](c3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246779246 804505745 /nfs/dbraw/zinc/50/57/45/804505745.db2.gz QXCSGBRPHFSCTL-BFYDXBDKSA-N 2 1 272.436 3.395 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246779375 804506863 /nfs/dbraw/zinc/50/68/63/804506863.db2.gz ZWWNNUDYXVQUKQ-QZTJIDSGSA-N 2 1 284.447 3.083 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCCC[C@@H]2CCOC)C[C@@H](CC)[NH2+]1 ZINC001246780957 804507492 /nfs/dbraw/zinc/50/74/92/804507492.db2.gz CZWYTCHGQCYAEN-BZUAXINKSA-N 2 1 282.472 3.187 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246779840 804507745 /nfs/dbraw/zinc/50/77/45/804507745.db2.gz JGFXOSZTIXDUJC-PPDQVPDSSA-N 2 1 298.474 3.484 20 0 CGADMP C[N@H+](Cc1cccs1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246783600 804509443 /nfs/dbraw/zinc/50/94/43/804509443.db2.gz PKMXXNMYKPPJNL-TZMCWYRMSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](Cc1cccs1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246783600 804509445 /nfs/dbraw/zinc/50/94/45/804509445.db2.gz PKMXXNMYKPPJNL-TZMCWYRMSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+]([C@@H]1CCCCNC1)C12CC3CC(CC(C3)C1)C2 ZINC001246784982 804510444 /nfs/dbraw/zinc/51/04/44/804510444.db2.gz HSIJXRZGVFMKJL-YYUOFMGYSA-N 2 1 262.441 3.029 20 0 CGADMP CN([C@@H]1CCCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001246784982 804510448 /nfs/dbraw/zinc/51/04/48/804510448.db2.gz HSIJXRZGVFMKJL-YYUOFMGYSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246790248 804513769 /nfs/dbraw/zinc/51/37/69/804513769.db2.gz MNAVNMHZIDOGNN-RTBURBONSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H]1C ZINC001246792343 804514972 /nfs/dbraw/zinc/51/49/72/804514972.db2.gz UXPBIVAXTRYDFS-ZAWLATJESA-N 2 1 286.463 3.470 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001140800192 804518364 /nfs/dbraw/zinc/51/83/64/804518364.db2.gz YRBYUTGYHMPKOH-QGZVFWFLSA-N 2 1 278.359 3.295 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001140800192 804518368 /nfs/dbraw/zinc/51/83/68/804518368.db2.gz YRBYUTGYHMPKOH-QGZVFWFLSA-N 2 1 278.359 3.295 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(Cl)c1 ZINC001140797105 804519250 /nfs/dbraw/zinc/51/92/50/804519250.db2.gz KUAARFKYBSUDIS-HIFRSBDPSA-N 2 1 278.827 3.032 20 0 CGADMP C[N@@H+](C1CCCC1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246801105 804522099 /nfs/dbraw/zinc/52/20/99/804522099.db2.gz ZGTPNCHLZAVSSF-HNNXBMFYSA-N 2 1 250.430 3.316 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC[NH2+]1 ZINC001246810102 804527112 /nfs/dbraw/zinc/52/71/12/804527112.db2.gz MOOYGQSSKJHJHS-MJBXVCDLSA-N 2 1 278.827 3.270 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246814421 804529979 /nfs/dbraw/zinc/52/99/79/804529979.db2.gz PBUIHIOIZCTRON-ROUUACIJSA-N 2 1 274.452 3.246 20 0 CGADMP C1C[C@@H]2CCC[N@@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)[C@H]2C1 ZINC001246819917 804534030 /nfs/dbraw/zinc/53/40/30/804534030.db2.gz LCRGZYBCPCABDH-PMPSAXMXSA-N 2 1 262.441 3.173 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2[C@@H](C)CC[NH2+]C)cc1 ZINC001246824079 804537419 /nfs/dbraw/zinc/53/74/19/804537419.db2.gz PIBUGZHQKIGJKN-WMLDXEAASA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]1CC([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC001246826048 804538996 /nfs/dbraw/zinc/53/89/96/804538996.db2.gz AWHYDTXYGAJLSC-YFKTTZPYSA-N 2 1 278.362 3.023 20 0 CGADMP C[C@@H]1CC([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC001246826048 804539000 /nfs/dbraw/zinc/53/90/00/804539000.db2.gz AWHYDTXYGAJLSC-YFKTTZPYSA-N 2 1 278.362 3.023 20 0 CGADMP CC1(C)C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246837024 804544147 /nfs/dbraw/zinc/54/41/47/804544147.db2.gz NTWLYFRAWKUBGU-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246837024 804544151 /nfs/dbraw/zinc/54/41/51/804544151.db2.gz NTWLYFRAWKUBGU-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC([N@@H+]2CC[C@H]3CCCC[C@H]3C2)C[C@H](C)[NH2+]1 ZINC001246837633 804545669 /nfs/dbraw/zinc/54/56/69/804545669.db2.gz PKAMHYHGNYZYPZ-XQLPTFJDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1CC([N@H+]2CC[C@H]3CCCC[C@H]3C2)C[C@H](C)[NH2+]1 ZINC001246837633 804545672 /nfs/dbraw/zinc/54/56/72/804545672.db2.gz PKAMHYHGNYZYPZ-XQLPTFJDSA-N 2 1 250.430 3.028 20 0 CGADMP CCCCCC[C@H](C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246838444 804546321 /nfs/dbraw/zinc/54/63/21/804546321.db2.gz XWFHYRNZTIECIG-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246838505 804546349 /nfs/dbraw/zinc/54/63/49/804546349.db2.gz CQBSFIGYYHLJRN-HZPDHXFCSA-N 2 1 264.388 3.178 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246838156 804546745 /nfs/dbraw/zinc/54/67/45/804546745.db2.gz BKAPFKXVPCRCNV-AWEZNQCLSA-N 2 1 296.867 3.009 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H](N)[C@@H](F)C1 ZINC001246839890 804547626 /nfs/dbraw/zinc/54/76/26/804547626.db2.gz ZYVUEGVZWMCLDX-YESZJQIVSA-N 2 1 278.415 3.159 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246838979 804547740 /nfs/dbraw/zinc/54/77/40/804547740.db2.gz KYJBEDGXWHCQAZ-UKBAYJJMSA-N 2 1 286.463 3.328 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001246839722 804548774 /nfs/dbraw/zinc/54/87/74/804548774.db2.gz DZZCMFPUSLFMRY-MIFYACCESA-N 2 1 262.441 3.159 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246840712 804549739 /nfs/dbraw/zinc/54/97/39/804549739.db2.gz JKFHBBFUZAKUJX-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001246844107 804551688 /nfs/dbraw/zinc/55/16/88/804551688.db2.gz GVHJVURVPBXBEK-WBVHZDCISA-N 2 1 260.425 3.129 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001246843917 804552715 /nfs/dbraw/zinc/55/27/15/804552715.db2.gz GMMWPDBKWMDTJU-PIIMJCKOSA-N 2 1 272.436 3.354 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246845779 804553469 /nfs/dbraw/zinc/55/34/69/804553469.db2.gz LRPHVIFBLZFUBX-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246845779 804553475 /nfs/dbraw/zinc/55/34/75/804553475.db2.gz LRPHVIFBLZFUBX-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001246847244 804556155 /nfs/dbraw/zinc/55/61/55/804556155.db2.gz ROYCGZPOYPJKIG-YVSFHVDLSA-N 2 1 262.441 3.031 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246847161 804556637 /nfs/dbraw/zinc/55/66/37/804556637.db2.gz QDKGFHLUCJPHBL-WBFXSEPVSA-N 2 1 298.474 3.329 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246848664 804558949 /nfs/dbraw/zinc/55/89/49/804558949.db2.gz YFWAIIZXQVUPQM-ROUUACIJSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001246849441 804559877 /nfs/dbraw/zinc/55/98/77/804559877.db2.gz RFQNVEPAXPABFX-JKSUJKDBSA-N 2 1 292.492 3.407 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246849080 804560427 /nfs/dbraw/zinc/56/04/27/804560427.db2.gz YYLQDMJJGQGNGN-AKHDSKFASA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854273 804563397 /nfs/dbraw/zinc/56/33/97/804563397.db2.gz PWBJLTYIXFIDGO-KURKYZTESA-N 2 1 272.436 3.067 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)C1 ZINC001246859269 804565071 /nfs/dbraw/zinc/56/50/71/804565071.db2.gz JCBCATXJCPGODS-WBVHZDCISA-N 2 1 284.447 3.312 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861325 804565318 /nfs/dbraw/zinc/56/53/18/804565318.db2.gz AVQCRVNMAGUEID-LHHMISFZSA-N 2 1 270.420 3.279 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246865601 804569656 /nfs/dbraw/zinc/56/96/56/804569656.db2.gz ZKWMOYAADAWVTA-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246865601 804569660 /nfs/dbraw/zinc/56/96/60/804569660.db2.gz ZKWMOYAADAWVTA-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246866274 804569686 /nfs/dbraw/zinc/56/96/86/804569686.db2.gz BYGYZHKCUKYYSC-VNCLNFNDSA-N 2 1 284.447 3.356 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2CCC(n3ccc4ccccc43)CC2)C[NH2+]1 ZINC001246867378 804569924 /nfs/dbraw/zinc/56/99/24/804569924.db2.gz IMPLGPMNHLKUDZ-YJBOKZPZSA-N 2 1 297.446 3.419 20 0 CGADMP C1[NH2+]CC12CC[C@H]([N@H+]1CCC[C@H]1C1CCCCC1)C2 ZINC001246867499 804569999 /nfs/dbraw/zinc/56/99/99/804569999.db2.gz YFPISQSWJGWQAO-HOTGVXAUSA-N 2 1 262.441 3.173 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC001246868578 804572221 /nfs/dbraw/zinc/57/22/21/804572221.db2.gz ALPXPJLBYUDOJO-HNNXBMFYSA-N 2 1 272.436 3.310 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2CCC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC001246871328 804573237 /nfs/dbraw/zinc/57/32/37/804573237.db2.gz QBPRBLIBSGZQRK-XJKSGUPXSA-N 2 1 292.854 3.444 20 0 CGADMP Fc1ccc2c(c1)CC[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246883589 804579780 /nfs/dbraw/zinc/57/97/80/804579780.db2.gz XBKCAPYKKWIAQP-ZWKOTPCHSA-N 2 1 288.410 3.106 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246899345 804586297 /nfs/dbraw/zinc/58/62/97/804586297.db2.gz DPTRBLJHGDZXNF-KBXCAEBGSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246899345 804586300 /nfs/dbraw/zinc/58/63/00/804586300.db2.gz DPTRBLJHGDZXNF-KBXCAEBGSA-N 2 1 283.419 3.447 20 0 CGADMP CCC[N@@H+]([C@H](C)Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246899878 804586307 /nfs/dbraw/zinc/58/63/07/804586307.db2.gz SDIGPQCBXVGOCA-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246902747 804588248 /nfs/dbraw/zinc/58/82/48/804588248.db2.gz UGUKTPPWLFSPMR-YGTYGHESSA-N 2 1 295.430 3.303 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH2+]1 ZINC001246901357 804588749 /nfs/dbraw/zinc/58/87/49/804588749.db2.gz MNDHCVIKQISGAR-LBTNJELSSA-N 2 1 283.419 3.445 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246903429 804589649 /nfs/dbraw/zinc/58/96/49/804589649.db2.gz XISCLVHJLQQAET-KBXCAEBGSA-N 2 1 295.430 3.447 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246907934 804591272 /nfs/dbraw/zinc/59/12/72/804591272.db2.gz SLRCNQZYMJSOAA-MUJYYYPQSA-N 2 1 278.827 3.445 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001246908958 804592963 /nfs/dbraw/zinc/59/29/63/804592963.db2.gz HGRLTFKTOPPPDD-OAHLLOKOSA-N 2 1 274.452 3.254 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246913559 804596362 /nfs/dbraw/zinc/59/63/62/804596362.db2.gz YDFOFZDPRXZBDU-CYBMUJFWSA-N 2 1 280.843 3.345 20 0 CGADMP C1CC2(C[C@@H]1[N@H+]1CC[C@H]3CCCC[C@@H]3C1)CC[NH2+]CC2 ZINC001246918957 804599844 /nfs/dbraw/zinc/59/98/44/804599844.db2.gz ICHWWIJLIMEENZ-BRWVUGGUSA-N 2 1 276.468 3.421 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246919532 804600016 /nfs/dbraw/zinc/60/00/16/804600016.db2.gz BGVWBSVDURZIQX-SCAQPMJSSA-N 2 1 290.451 3.089 20 0 CGADMP Clc1ccc(C2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246919857 804601210 /nfs/dbraw/zinc/60/12/10/804601210.db2.gz NYYDVVZHQCDJMZ-VVBDHPJYSA-N 2 1 290.838 3.270 20 0 CGADMP Clc1ccc(C2CCC([N@H+]3C[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246919857 804601213 /nfs/dbraw/zinc/60/12/13/804601213.db2.gz NYYDVVZHQCDJMZ-VVBDHPJYSA-N 2 1 290.838 3.270 20 0 CGADMP CCCCCC[C@H](CCCC)[N@H+]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001246922025 804601766 /nfs/dbraw/zinc/60/17/66/804601766.db2.gz UGSNKGHPUWIAMV-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP Fc1ccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246934401 804607104 /nfs/dbraw/zinc/60/71/04/804607104.db2.gz IGAQICYMDQZVNA-CYGHRXIMSA-N 2 1 288.410 3.178 20 0 CGADMP Fc1ccc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246934401 804607108 /nfs/dbraw/zinc/60/71/08/804607108.db2.gz IGAQICYMDQZVNA-CYGHRXIMSA-N 2 1 288.410 3.178 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@@H]1CCCSC1 ZINC001246937382 804608452 /nfs/dbraw/zinc/60/84/52/804608452.db2.gz LZYQEIHZVBGREL-GOEBONIOSA-N 2 1 282.497 3.126 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001246947302 804614319 /nfs/dbraw/zinc/61/43/19/804614319.db2.gz UOJSHKZWSLEWFX-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246950213 804616791 /nfs/dbraw/zinc/61/67/91/804616791.db2.gz VYKYZHLMURQMNL-QWHCGFSZSA-N 2 1 298.833 3.342 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970657 804622365 /nfs/dbraw/zinc/62/23/65/804622365.db2.gz ANIWVZCAQFPRAN-VQIMIIECSA-N 2 1 298.474 3.316 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CCC3(C[NH2+]C3)C2)c1C ZINC001246969781 804622909 /nfs/dbraw/zinc/62/29/09/804622909.db2.gz XFOVRMRPZWWZAV-GOSISDBHSA-N 2 1 284.447 3.410 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246970345 804622994 /nfs/dbraw/zinc/62/29/94/804622994.db2.gz YAQTVEVIIKMYLO-XIRDDKMYSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@H]1CC[C@H]([N@H+]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246970345 804622997 /nfs/dbraw/zinc/62/29/97/804622997.db2.gz YAQTVEVIIKMYLO-XIRDDKMYSA-N 2 1 258.409 3.354 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246978883 804625328 /nfs/dbraw/zinc/62/53/28/804625328.db2.gz WZXCBQABTHSROB-IBGZPJMESA-N 2 1 298.474 3.459 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CCC=C(C)C ZINC001246978992 804625885 /nfs/dbraw/zinc/62/58/85/804625885.db2.gz YEYIDXRLSCPUBD-HZPDHXFCSA-N 2 1 252.446 3.443 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CSc2ccccc2C1 ZINC001246997153 804632904 /nfs/dbraw/zinc/63/29/04/804632904.db2.gz VOVFNASMBFKEPF-GDBMZVCRSA-N 2 1 290.476 3.025 20 0 CGADMP Cc1ccc2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001142384009 804720444 /nfs/dbraw/zinc/72/04/44/804720444.db2.gz VXJOJCLSFFRHSH-CALCHBBNSA-N 2 1 280.415 3.142 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001142384009 804720448 /nfs/dbraw/zinc/72/04/48/804720448.db2.gz VXJOJCLSFFRHSH-CALCHBBNSA-N 2 1 280.415 3.142 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001142384009 804720454 /nfs/dbraw/zinc/72/04/54/804720454.db2.gz VXJOJCLSFFRHSH-CALCHBBNSA-N 2 1 280.415 3.142 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2ccc3scnc3c2)CC1 ZINC001144739069 805047512 /nfs/dbraw/zinc/04/75/12/805047512.db2.gz RTAHMJDYKPJYHG-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP CC[NH+]1CCC(N(C)Cc2ccc3scnc3c2)CC1 ZINC001144739069 805047520 /nfs/dbraw/zinc/04/75/20/805047520.db2.gz RTAHMJDYKPJYHG-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3scnc3c2)CC1 ZINC001144739069 805047528 /nfs/dbraw/zinc/04/75/28/805047528.db2.gz RTAHMJDYKPJYHG-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3scnc3c2)CC1 ZINC001144739069 805047540 /nfs/dbraw/zinc/04/75/40/805047540.db2.gz RTAHMJDYKPJYHG-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257085342 807048100 /nfs/dbraw/zinc/04/81/00/807048100.db2.gz MDFNFBBWMWEJJT-NWUZLNDISA-N 2 1 294.483 3.457 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249524926 805165151 /nfs/dbraw/zinc/16/51/51/805165151.db2.gz SBLAJSPFUUCRGX-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC(N(C)Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249524926 805165155 /nfs/dbraw/zinc/16/51/55/805165155.db2.gz SBLAJSPFUUCRGX-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249524926 805165160 /nfs/dbraw/zinc/16/51/60/805165160.db2.gz SBLAJSPFUUCRGX-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249524926 805165166 /nfs/dbraw/zinc/16/51/66/805165166.db2.gz SBLAJSPFUUCRGX-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(C)c1Cl ZINC001250194557 805483067 /nfs/dbraw/zinc/48/30/67/805483067.db2.gz FZUGAODMZAIXJA-CVEARBPZSA-N 2 1 292.854 3.340 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)c1Cl ZINC001250194557 805483074 /nfs/dbraw/zinc/48/30/74/805483074.db2.gz FZUGAODMZAIXJA-CVEARBPZSA-N 2 1 292.854 3.340 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)c1Cl ZINC001250194557 805483077 /nfs/dbraw/zinc/48/30/77/805483077.db2.gz FZUGAODMZAIXJA-CVEARBPZSA-N 2 1 292.854 3.340 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1Cl ZINC001250203137 805487084 /nfs/dbraw/zinc/48/70/84/805487084.db2.gz BTHKUQQPQJEYKD-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1Cl ZINC001250203137 805487091 /nfs/dbraw/zinc/48/70/91/805487091.db2.gz BTHKUQQPQJEYKD-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1Cl ZINC001250203137 805487097 /nfs/dbraw/zinc/48/70/97/805487097.db2.gz BTHKUQQPQJEYKD-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1Cl ZINC001250203137 805487107 /nfs/dbraw/zinc/48/71/07/805487107.db2.gz BTHKUQQPQJEYKD-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1cc2cc[nH+]c(NCC[C@@H]3CCC[N@@H+](C)C3)c2[nH]1 ZINC001165259828 806982197 /nfs/dbraw/zinc/98/21/97/806982197.db2.gz AINSKXGJMPRDAU-ZDUSSCGKSA-N 2 1 272.396 3.015 20 0 CGADMP Cc1cc2cc[nH+]c(NCC[C@@H]3CCC[N@H+](C)C3)c2[nH]1 ZINC001165259828 806982200 /nfs/dbraw/zinc/98/22/00/806982200.db2.gz AINSKXGJMPRDAU-ZDUSSCGKSA-N 2 1 272.396 3.015 20 0 CGADMP CC[C@H]1CCCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861908 806993537 /nfs/dbraw/zinc/99/35/37/806993537.db2.gz ZHSINZHWFYLSRM-HNNXBMFYSA-N 2 1 273.424 3.315 20 0 CGADMP c1cc(N2CCC([N@H+]3CCCC4(CCC4)C3)CC2)cc[nH+]1 ZINC001256865177 806993664 /nfs/dbraw/zinc/99/36/64/806993664.db2.gz SOFVJDLQBVGCED-UHFFFAOYSA-N 2 1 285.435 3.317 20 0 CGADMP Cc1ccc2cc[nH+]c(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c2c1 ZINC001165433387 807002648 /nfs/dbraw/zinc/00/26/48/807002648.db2.gz VZFWXMZADGIMLN-HOCLYGCPSA-N 2 1 299.393 3.056 20 0 CGADMP Cc1ccc2cc[nH+]c(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1 ZINC001165433385 807002780 /nfs/dbraw/zinc/00/27/80/807002780.db2.gz VZFWXMZADGIMLN-GDBMZVCRSA-N 2 1 299.393 3.056 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccncc1 ZINC001257210740 807060991 /nfs/dbraw/zinc/06/09/91/807060991.db2.gz XRBYQZMUGDENOB-QGZVFWFLSA-N 2 1 275.440 3.385 20 0 CGADMP CCC[C@H](CC)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001257259604 807075898 /nfs/dbraw/zinc/07/58/98/807075898.db2.gz NQYAXUVPVKSXGC-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](CC)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001257259604 807075907 /nfs/dbraw/zinc/07/59/07/807075907.db2.gz NQYAXUVPVKSXGC-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](CC)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001257259604 807075913 /nfs/dbraw/zinc/07/59/13/807075913.db2.gz NQYAXUVPVKSXGC-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@H](CC)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001257259604 807075922 /nfs/dbraw/zinc/07/59/22/807075922.db2.gz NQYAXUVPVKSXGC-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H](CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001257261536 807077411 /nfs/dbraw/zinc/07/74/11/807077411.db2.gz WBRYLAMLBYEBHJ-OAHLLOKOSA-N 2 1 292.471 3.118 20 0 CGADMP CCC[C@@H](CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001257261536 807077419 /nfs/dbraw/zinc/07/74/19/807077419.db2.gz WBRYLAMLBYEBHJ-OAHLLOKOSA-N 2 1 292.471 3.118 20 0 CGADMP CCC[C@@H](CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001257261536 807077424 /nfs/dbraw/zinc/07/74/24/807077424.db2.gz WBRYLAMLBYEBHJ-OAHLLOKOSA-N 2 1 292.471 3.118 20 0 CGADMP CCC[C@@H](CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001257261536 807077433 /nfs/dbraw/zinc/07/74/33/807077433.db2.gz WBRYLAMLBYEBHJ-OAHLLOKOSA-N 2 1 292.471 3.118 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[N@@H+]3CC[C@H]([NH3+])C3)ccc2c1 ZINC001257273505 807086714 /nfs/dbraw/zinc/08/67/14/807086714.db2.gz PVRLSQHAVCOLRZ-KDOFPFPSSA-N 2 1 298.430 3.203 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@H]([NH3+])C3)ccc2c1 ZINC001257273505 807086721 /nfs/dbraw/zinc/08/67/21/807086721.db2.gz PVRLSQHAVCOLRZ-KDOFPFPSSA-N 2 1 298.430 3.203 20 0 CGADMP C[NH2+]Cc1cccc(Nc2ccc3c([nH+]2)CCCC3)c1 ZINC001167033444 807133477 /nfs/dbraw/zinc/13/34/77/807133477.db2.gz NLSSHZVWBSUYCM-UHFFFAOYSA-N 2 1 267.376 3.423 20 0 CGADMP C[N@@H+](CC/C=C/c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001167477916 807196512 /nfs/dbraw/zinc/19/65/12/807196512.db2.gz IWKFCNJUTHMAMG-QKIXSCASSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](CC/C=C/c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001167477916 807196515 /nfs/dbraw/zinc/19/65/15/807196515.db2.gz IWKFCNJUTHMAMG-QKIXSCASSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](CC/C=C/c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001167477916 807196517 /nfs/dbraw/zinc/19/65/17/807196517.db2.gz IWKFCNJUTHMAMG-QKIXSCASSA-N 2 1 272.436 3.364 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CCCSC1 ZINC001257679998 807214590 /nfs/dbraw/zinc/21/45/90/807214590.db2.gz GFKPVKBFCOXWEE-JYJNAYRXSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCCSC1 ZINC001257679998 807214592 /nfs/dbraw/zinc/21/45/92/807214592.db2.gz GFKPVKBFCOXWEE-JYJNAYRXSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCCSC1 ZINC001257679998 807214597 /nfs/dbraw/zinc/21/45/97/807214597.db2.gz GFKPVKBFCOXWEE-JYJNAYRXSA-N 2 1 282.497 3.221 20 0 CGADMP CCc1cccc(N2C(C)(C)CC([NH3+])CC2(C)C)[nH+]1 ZINC001167626524 807219050 /nfs/dbraw/zinc/21/90/50/807219050.db2.gz LZTZCDOJTXRZLC-UHFFFAOYSA-N 2 1 261.413 3.129 20 0 CGADMP CC(C)OC1CCC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001257872116 807233054 /nfs/dbraw/zinc/23/30/54/807233054.db2.gz QRCOETFBAYWWKC-GQGLESIBSA-N 2 1 282.472 3.185 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001167786001 807250938 /nfs/dbraw/zinc/25/09/38/807250938.db2.gz JZWQFLPLHDWDNB-INIZCTEOSA-N 2 1 282.391 3.009 20 0 CGADMP Cc1ccc2c(NCc3ccc(N)[nH+]c3C)cc[nH+]c2c1 ZINC001167788334 807251976 /nfs/dbraw/zinc/25/19/76/807251976.db2.gz YICQRRRYUAJDIV-UHFFFAOYSA-N 2 1 278.359 3.441 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COC)C1 ZINC001167822684 807255935 /nfs/dbraw/zinc/25/59/35/807255935.db2.gz JCYVGPWKFQNQEA-KSZLIROESA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)CCN1CCCCC1 ZINC001167838325 807259260 /nfs/dbraw/zinc/25/92/60/807259260.db2.gz SWCIWYBTJOAOON-GOSISDBHSA-N 2 1 297.531 3.305 20 0 CGADMP CC(C)C[NH+]1CCC([NH+]2CCC3(CC(F)C3)CC2)CC1 ZINC001258013839 807266965 /nfs/dbraw/zinc/26/69/65/807266965.db2.gz XUZHVVPTTHOHMS-UHFFFAOYSA-N 2 1 282.447 3.321 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC001258051114 807277527 /nfs/dbraw/zinc/27/75/27/807277527.db2.gz HZFBPJOEOXIKME-ZIAGYGMSSA-N 2 1 251.418 3.242 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258059728 807281904 /nfs/dbraw/zinc/28/19/04/807281904.db2.gz HYSOWSYMEFRNFL-QAETUUGQSA-N 2 1 296.499 3.418 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@H](C)C1 ZINC001168094519 807309822 /nfs/dbraw/zinc/30/98/22/807309822.db2.gz VEJOMTZRFMOMTD-SRABZTEZSA-N 2 1 282.472 3.314 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168104242 807312592 /nfs/dbraw/zinc/31/25/92/807312592.db2.gz USCKKCVVDXJYPF-NXNVCVFFSA-N 2 1 280.456 3.068 20 0 CGADMP C[C@@H](Cc1ccco1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258182356 807345783 /nfs/dbraw/zinc/34/57/83/807345783.db2.gz NXRTXUCSWQPFFJ-DZKIICNBSA-N 2 1 276.424 3.335 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CCSC)CC1 ZINC001258230528 807378867 /nfs/dbraw/zinc/37/88/67/807378867.db2.gz XIJMBJYGWSWYOR-AWEZNQCLSA-N 2 1 272.502 3.324 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCSc3ccccc3C2)CC1 ZINC001168328828 807385988 /nfs/dbraw/zinc/38/59/88/807385988.db2.gz KTZZKVANUBNXMV-UHFFFAOYSA-N 2 1 290.476 3.467 20 0 CGADMP C[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)CCC1(F)F ZINC001168372839 807396446 /nfs/dbraw/zinc/39/64/46/807396446.db2.gz LSMLDJYTTQQCII-ZDUSSCGKSA-N 2 1 286.410 3.228 20 0 CGADMP c1ccc([C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168372855 807396859 /nfs/dbraw/zinc/39/68/59/807396859.db2.gz MOPCYLSBMSCNQA-SFHVURJKSA-N 2 1 284.447 3.350 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168402082 807406634 /nfs/dbraw/zinc/40/66/34/807406634.db2.gz YCNFPEKULHHJEU-GOSISDBHSA-N 2 1 292.442 3.395 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168402082 807406637 /nfs/dbraw/zinc/40/66/37/807406637.db2.gz YCNFPEKULHHJEU-GOSISDBHSA-N 2 1 292.442 3.395 20 0 CGADMP CC(C)C[N@@H+]([C@H](C)CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258457136 807462593 /nfs/dbraw/zinc/46/25/93/807462593.db2.gz SSUYMNWXUQVMNC-FVQBIDKESA-N 2 1 252.446 3.403 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258460959 807464447 /nfs/dbraw/zinc/46/44/47/807464447.db2.gz MJOPWDYDKVGSFW-HOCLYGCPSA-N 2 1 294.483 3.187 20 0 CGADMP C[NH+](C)CC(C)(C)CNc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001168769622 807509164 /nfs/dbraw/zinc/50/91/64/807509164.db2.gz SKBMAPTVNNOUNO-MRXNPFEDSA-N 2 1 289.467 3.105 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001258676395 807539834 /nfs/dbraw/zinc/53/98/34/807539834.db2.gz BOHZSEWHDQFBTJ-WDEREUQCSA-N 2 1 289.250 3.451 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C2 ZINC001169077916 807567748 /nfs/dbraw/zinc/56/77/48/807567748.db2.gz BOZGEEYORBVIEK-CLLJXQQHSA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C2 ZINC001169077916 807567751 /nfs/dbraw/zinc/56/77/51/807567751.db2.gz BOZGEEYORBVIEK-CLLJXQQHSA-N 2 1 282.790 3.194 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001169079062 807567990 /nfs/dbraw/zinc/56/79/90/807567990.db2.gz IDJMNAPCSFADAA-BTTYYORXSA-N 2 1 298.352 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001169079062 807567991 /nfs/dbraw/zinc/56/79/91/807567991.db2.gz IDJMNAPCSFADAA-BTTYYORXSA-N 2 1 298.352 3.420 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082013 807568989 /nfs/dbraw/zinc/56/89/89/807568989.db2.gz XHEUEPBTMWTJJY-DGXTUMSLSA-N 2 1 250.430 3.028 20 0 CGADMP CCCC[C@@H](CC)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099431 807575433 /nfs/dbraw/zinc/57/54/33/807575433.db2.gz RNRPOTBGWBRQDZ-FPCVCCKLSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)c(F)c1 ZINC001169107642 807579244 /nfs/dbraw/zinc/57/92/44/807579244.db2.gz IRDMUNOWASNKOL-RUZUBIRVSA-N 2 1 280.362 3.241 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC001169107642 807579247 /nfs/dbraw/zinc/57/92/47/807579247.db2.gz IRDMUNOWASNKOL-RUZUBIRVSA-N 2 1 280.362 3.241 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(F)c(Cl)c1)C2 ZINC001169116313 807580110 /nfs/dbraw/zinc/58/01/10/807580110.db2.gz PWJCOWUZGUWERM-CNDDSTCGSA-N 2 1 295.789 3.019 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3cc(F)ccc31)C2 ZINC001169115068 807580743 /nfs/dbraw/zinc/58/07/43/807580743.db2.gz HHIABUHAKQISGA-XLMAVXFVSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)CC1CCC1)C2 ZINC001169116561 807581169 /nfs/dbraw/zinc/58/11/69/807581169.db2.gz RBCUFMRMXREDII-QDMKHBRRSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3cc(F)ccc31)C2 ZINC001169115062 807582022 /nfs/dbraw/zinc/58/20/22/807582022.db2.gz HHIABUHAKQISGA-DFGXFYAUSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCc3ccccc3CC1)C2 ZINC001169122782 807582922 /nfs/dbraw/zinc/58/29/22/807582922.db2.gz DONOQEUNKVNKNP-LDLYASANSA-N 2 1 284.447 3.149 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001258740024 807585109 /nfs/dbraw/zinc/58/51/09/807585109.db2.gz LULGYGOHWHGZIA-JQRITLKVSA-N 2 1 280.843 3.473 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152329 807594124 /nfs/dbraw/zinc/59/41/24/807594124.db2.gz CDXCLYQCWABGED-RXPRSULJSA-N 2 1 285.435 3.042 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152329 807594129 /nfs/dbraw/zinc/59/41/29/807594129.db2.gz CDXCLYQCWABGED-RXPRSULJSA-N 2 1 285.435 3.042 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152329 807594133 /nfs/dbraw/zinc/59/41/33/807594133.db2.gz CDXCLYQCWABGED-RXPRSULJSA-N 2 1 285.435 3.042 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258764532 807601641 /nfs/dbraw/zinc/60/16/41/807601641.db2.gz USPJBDBXHBNFSL-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CCC)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258764532 807601643 /nfs/dbraw/zinc/60/16/43/807601643.db2.gz USPJBDBXHBNFSL-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CCC)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258764532 807601646 /nfs/dbraw/zinc/60/16/46/807601646.db2.gz USPJBDBXHBNFSL-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCOc3ccc(C)cc32)CC1 ZINC001258769635 807604248 /nfs/dbraw/zinc/60/42/48/807604248.db2.gz ZCHSLSVPWCXVCV-KRWDZBQOSA-N 2 1 288.435 3.283 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001258771836 807605421 /nfs/dbraw/zinc/60/54/21/807605421.db2.gz XIBAKZPUNUTPEA-HNNXBMFYSA-N 2 1 256.409 3.075 20 0 CGADMP CCCN1CCC([N@@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001258777391 807606056 /nfs/dbraw/zinc/60/60/56/807606056.db2.gz SXLRTVVWECGUGK-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CCCN1CCC([N@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001258777391 807606058 /nfs/dbraw/zinc/60/60/58/807606058.db2.gz SXLRTVVWECGUGK-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001258777391 807606060 /nfs/dbraw/zinc/60/60/60/807606060.db2.gz SXLRTVVWECGUGK-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001258777391 807606063 /nfs/dbraw/zinc/60/60/63/807606063.db2.gz SXLRTVVWECGUGK-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC(Oc3ccccc3)CC2)CC1 ZINC001169246602 807614405 /nfs/dbraw/zinc/61/44/05/807614405.db2.gz SUUIWHVFNYEHAV-UHFFFAOYSA-N 2 1 288.435 3.014 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001169255560 807615340 /nfs/dbraw/zinc/61/53/40/807615340.db2.gz SASHCVGJEDVALG-GOSISDBHSA-N 2 1 286.463 3.425 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001169255560 807615346 /nfs/dbraw/zinc/61/53/46/807615346.db2.gz SASHCVGJEDVALG-GOSISDBHSA-N 2 1 286.463 3.425 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001169266596 807619027 /nfs/dbraw/zinc/61/90/27/807619027.db2.gz XGAOOXFJEIOYOZ-AWEZNQCLSA-N 2 1 276.424 3.172 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001169266596 807619031 /nfs/dbraw/zinc/61/90/31/807619031.db2.gz XGAOOXFJEIOYOZ-AWEZNQCLSA-N 2 1 276.424 3.172 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001258812195 807630457 /nfs/dbraw/zinc/63/04/57/807630457.db2.gz IQVMHRFEJQZXNF-YFHUEUNASA-N 2 1 294.483 3.316 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258844245 807655047 /nfs/dbraw/zinc/65/50/47/807655047.db2.gz PCVBJSHXJSIONT-WOJBJXKFSA-N 2 1 294.442 3.393 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258844245 807655052 /nfs/dbraw/zinc/65/50/52/807655052.db2.gz PCVBJSHXJSIONT-WOJBJXKFSA-N 2 1 294.442 3.393 20 0 CGADMP Cc1ccc2cc(NCC[C@H]3CCC[NH2+]3)[nH+]cc2c1 ZINC001169558687 807666840 /nfs/dbraw/zinc/66/68/40/807666840.db2.gz NFMCYBATECLCSP-OAHLLOKOSA-N 2 1 255.365 3.097 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(F)(F)c1ccccn1 ZINC001258901654 807670163 /nfs/dbraw/zinc/67/01/63/807670163.db2.gz KLNVULPSULNYRX-AWEZNQCLSA-N 2 1 299.409 3.274 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001258908308 807672062 /nfs/dbraw/zinc/67/20/62/807672062.db2.gz UOIOZJOTAQTDRU-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001258907173 807672142 /nfs/dbraw/zinc/67/21/42/807672142.db2.gz GUJSMZKCPNAZIV-ZIAGYGMSSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001258907173 807672144 /nfs/dbraw/zinc/67/21/44/807672144.db2.gz GUJSMZKCPNAZIV-ZIAGYGMSSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001258909869 807672778 /nfs/dbraw/zinc/67/27/78/807672778.db2.gz KAOARCVXMOYJKM-MJBXVCDLSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](F)CC1 ZINC001258907658 807672990 /nfs/dbraw/zinc/67/29/90/807672990.db2.gz LYSXZQMWZLZMEO-CABCVRRESA-N 2 1 258.425 3.321 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170071513 807747092 /nfs/dbraw/zinc/74/70/92/807747092.db2.gz PXZJPUTTZUXWQY-JYJNAYRXSA-N 2 1 282.472 3.172 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC001170113444 807762028 /nfs/dbraw/zinc/76/20/28/807762028.db2.gz PEWMGOFMURINGS-VYDXJSESSA-N 2 1 260.425 3.272 20 0 CGADMP CC(C)C[N@@H+]([C@@H]1CC[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170125012 807768386 /nfs/dbraw/zinc/76/83/86/807768386.db2.gz ZOIXVWFLMNEBOZ-KLHDSHLOSA-N 2 1 252.446 3.403 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170729527 807889920 /nfs/dbraw/zinc/88/99/20/807889920.db2.gz CQNNXFCZACPDIE-UGQVUOCMSA-N 2 1 264.457 3.274 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170729527 807889928 /nfs/dbraw/zinc/88/99/28/807889928.db2.gz CQNNXFCZACPDIE-UGQVUOCMSA-N 2 1 264.457 3.274 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)[C@H](C)C1 ZINC001170742098 807897256 /nfs/dbraw/zinc/89/72/56/807897256.db2.gz YJPSHTXZZNIGEL-LJIZCISZSA-N 2 1 264.457 3.129 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171017201 807961257 /nfs/dbraw/zinc/96/12/57/807961257.db2.gz GQXSOEXTIOKVQP-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171093130 807981497 /nfs/dbraw/zinc/98/14/97/807981497.db2.gz CRWHYFBRENYMKJ-INIZCTEOSA-N 2 1 280.843 3.257 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171625101 808106911 /nfs/dbraw/zinc/10/69/11/808106911.db2.gz BXLADZNBVFKVCZ-GDBMZVCRSA-N 3 1 295.515 3.100 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC(C)(C)C[C@@]2(C)CO)CC1(C)C ZINC001171630801 808107670 /nfs/dbraw/zinc/10/76/70/808107670.db2.gz CFAJGVTZHAAIRO-SFHVURJKSA-N 2 1 296.499 3.121 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2Cc3cccnc3C2)CC1(C)C ZINC001171628714 808108437 /nfs/dbraw/zinc/10/84/37/808108437.db2.gz HNCWLFIJIWVCQB-UHFFFAOYSA-N 2 1 273.424 3.049 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2Cc3cccnc3C2)CC1(C)C ZINC001171628714 808108442 /nfs/dbraw/zinc/10/84/42/808108442.db2.gz HNCWLFIJIWVCQB-UHFFFAOYSA-N 2 1 273.424 3.049 20 0 CGADMP CC(C)[N@@H+](C)[C@@H]1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171643996 808111651 /nfs/dbraw/zinc/11/16/51/808111651.db2.gz ZFJIMRNYVMWWAK-OAHLLOKOSA-N 2 1 295.515 3.052 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001171665157 808117080 /nfs/dbraw/zinc/11/70/80/808117080.db2.gz LDBJUESTQGHMKB-BQFCYCMXSA-N 2 1 274.452 3.246 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001171665157 808117086 /nfs/dbraw/zinc/11/70/86/808117086.db2.gz LDBJUESTQGHMKB-BQFCYCMXSA-N 2 1 274.452 3.246 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cccc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC001171724865 808125626 /nfs/dbraw/zinc/12/56/26/808125626.db2.gz DGBSPJOZYPMQRI-DNVCBOLYSA-N 2 1 295.430 3.220 20 0 CGADMP C1=CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075648 808170029 /nfs/dbraw/zinc/17/00/29/808170029.db2.gz CXLNRNKGLUCRRX-BWTSREIZSA-N 2 1 282.431 3.444 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC2)C3)cc1 ZINC001172080057 808170819 /nfs/dbraw/zinc/17/08/19/808170819.db2.gz SMHPFAJEDYEXJE-BCDXTJNWSA-N 2 1 270.420 3.278 20 0 CGADMP CCc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100212 808172647 /nfs/dbraw/zinc/17/26/47/808172647.db2.gz BFEKWCBUDYLYCR-BCDXTJNWSA-N 2 1 272.436 3.354 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102406 808173914 /nfs/dbraw/zinc/17/39/14/808173914.db2.gz MOOZXVRJIFUIFW-BCDXTJNWSA-N 2 1 272.436 3.408 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172103721 808174445 /nfs/dbraw/zinc/17/44/45/808174445.db2.gz WZGCVZBCYLPWDS-BCDXTJNWSA-N 2 1 272.436 3.408 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(OC3CCC3)CC1)C2 ZINC001172116727 808179822 /nfs/dbraw/zinc/17/98/22/808179822.db2.gz CKZBXVJMEZCINN-MUJYYYPQSA-N 2 1 292.467 3.035 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(OC3CCC3)CC1)C2 ZINC001172116727 808179826 /nfs/dbraw/zinc/17/98/26/808179826.db2.gz CKZBXVJMEZCINN-MUJYYYPQSA-N 2 1 292.467 3.035 20 0 CGADMP C[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001172115812 808180192 /nfs/dbraw/zinc/18/01/92/808180192.db2.gz AESFLIAWESMNNY-XQLPTFJDSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001172115812 808180195 /nfs/dbraw/zinc/18/01/95/808180195.db2.gz AESFLIAWESMNNY-XQLPTFJDSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1(F)F ZINC001172115812 808180197 /nfs/dbraw/zinc/18/01/97/808180197.db2.gz AESFLIAWESMNNY-XQLPTFJDSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1(F)F ZINC001172115812 808180198 /nfs/dbraw/zinc/18/01/98/808180198.db2.gz AESFLIAWESMNNY-XQLPTFJDSA-N 2 1 286.410 3.369 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c(CC[NH3+])cc3ccccc31)C2 ZINC001172117768 808181176 /nfs/dbraw/zinc/18/11/76/808181176.db2.gz MZVGIAFLLJZEFV-ALXJQNPVSA-N 2 1 297.446 3.330 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001172120952 808183928 /nfs/dbraw/zinc/18/39/28/808183928.db2.gz AKDFKOBKNMYTQT-HCXYKTFWSA-N 2 1 299.462 3.104 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001172120952 808183934 /nfs/dbraw/zinc/18/39/34/808183934.db2.gz AKDFKOBKNMYTQT-HCXYKTFWSA-N 2 1 299.462 3.104 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001172120952 808183939 /nfs/dbraw/zinc/18/39/39/808183939.db2.gz AKDFKOBKNMYTQT-HCXYKTFWSA-N 2 1 299.462 3.104 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001172120952 808183949 /nfs/dbraw/zinc/18/39/49/808183949.db2.gz AKDFKOBKNMYTQT-HCXYKTFWSA-N 2 1 299.462 3.104 20 0 CGADMP CC(C)(C)C[N@H+](C1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172220570 808201073 /nfs/dbraw/zinc/20/10/73/808201073.db2.gz GXPAKGBAXPENBR-ZZCJBCQWSA-N 2 1 294.483 3.314 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172361076 808255450 /nfs/dbraw/zinc/25/54/50/808255450.db2.gz ZFISUOWMKLCHHA-SDSMMKDESA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C[C@@H]1C ZINC001172360865 808255726 /nfs/dbraw/zinc/25/57/26/808255726.db2.gz XVEIBVQKICXYBT-YXMSTPNBSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@@H]1C ZINC001172373689 808268810 /nfs/dbraw/zinc/26/88/10/808268810.db2.gz MXDHRQUTUSKBBS-HLLBOEOZSA-N 2 1 276.468 3.229 20 0 CGADMP CC[C@@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172393394 808283765 /nfs/dbraw/zinc/28/37/65/808283765.db2.gz WJNJHAGWYYRQKW-YHUYYLMFSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172393394 808283771 /nfs/dbraw/zinc/28/37/71/808283771.db2.gz WJNJHAGWYYRQKW-YHUYYLMFSA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172456357 808326495 /nfs/dbraw/zinc/32/64/95/808326495.db2.gz CHYROMXJMHPRTM-KSZLIROESA-N 2 1 298.515 3.395 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172457447 808327802 /nfs/dbraw/zinc/32/78/02/808327802.db2.gz AFGORWMDRMVARV-WCXIOVBPSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172457447 808327810 /nfs/dbraw/zinc/32/78/10/808327810.db2.gz AFGORWMDRMVARV-WCXIOVBPSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)COCC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172456939 808328469 /nfs/dbraw/zinc/32/84/69/808328469.db2.gz KAEGVSPTJGWUAE-INIZCTEOSA-N 2 1 284.488 3.421 20 0 CGADMP CCCCCC[C@H](CCCC)[NH2+]CCC[N@@H+](C)CCO ZINC001172514264 808367486 /nfs/dbraw/zinc/36/74/86/808367486.db2.gz SIVPWNNYCFVOIA-KRWDZBQOSA-N 2 1 286.504 3.419 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172552068 808380878 /nfs/dbraw/zinc/38/08/78/808380878.db2.gz VXSWXUZSPDONEM-KZNAEPCWSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172552066 808380904 /nfs/dbraw/zinc/38/09/04/808380904.db2.gz VXSWXUZSPDONEM-FGTMMUONSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172556507 808384663 /nfs/dbraw/zinc/38/46/63/808384663.db2.gz JHFQPFRUQXAFFZ-VDHUWJSZSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172556507 808384667 /nfs/dbraw/zinc/38/46/67/808384667.db2.gz JHFQPFRUQXAFFZ-VDHUWJSZSA-N 2 1 272.436 3.253 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172565847 808392750 /nfs/dbraw/zinc/39/27/50/808392750.db2.gz PEQFMTPKFXAAMR-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172565847 808392757 /nfs/dbraw/zinc/39/27/57/808392757.db2.gz PEQFMTPKFXAAMR-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172569234 808394489 /nfs/dbraw/zinc/39/44/89/808394489.db2.gz QUOYMCCSIDWPTC-QYZOEREBSA-N 2 1 284.447 3.350 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172569234 808394498 /nfs/dbraw/zinc/39/44/98/808394498.db2.gz QUOYMCCSIDWPTC-QYZOEREBSA-N 2 1 284.447 3.350 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172569234 808394507 /nfs/dbraw/zinc/39/45/07/808394507.db2.gz QUOYMCCSIDWPTC-QYZOEREBSA-N 2 1 284.447 3.350 20 0 CGADMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCC2(CCCC2)CC1 ZINC001172723904 808420500 /nfs/dbraw/zinc/42/05/00/808420500.db2.gz KQGGBPFKVGVREL-UHFFFAOYSA-N 3 1 295.515 3.092 20 0 CGADMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCC2(CCCC2)CC1 ZINC001172723904 808420504 /nfs/dbraw/zinc/42/05/04/808420504.db2.gz KQGGBPFKVGVREL-UHFFFAOYSA-N 3 1 295.515 3.092 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)n1cc[nH+]c1CCC[NH3+] ZINC001172849785 808461673 /nfs/dbraw/zinc/46/16/73/808461673.db2.gz PQJFOJDXPIRJJJ-LLVKDONJSA-N 2 1 295.789 3.371 20 0 CGADMP CCCOC1CCC([NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001173101232 808509462 /nfs/dbraw/zinc/50/94/62/808509462.db2.gz JKWWGEIWHVNTKM-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](F)C2)CC1 ZINC001173112294 808513680 /nfs/dbraw/zinc/51/36/80/808513680.db2.gz TUXMACWVAYGVNY-WLYUNCDWSA-N 2 1 256.409 3.073 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC(C)(C)C2)CC1 ZINC001173111352 808513816 /nfs/dbraw/zinc/51/38/16/808513816.db2.gz CBBMFGUFAHSFDV-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[N@@H+](CCC[NH3+])C1CCC(Oc2ccccc2)CC1 ZINC001173198154 808534471 /nfs/dbraw/zinc/53/44/71/808534471.db2.gz OVXXCPKVXSORBK-UHFFFAOYSA-N 2 1 290.451 3.437 20 0 CGADMP CC[C@H]1CC[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173270043 808574397 /nfs/dbraw/zinc/57/43/97/808574397.db2.gz MFWBTWDDHLJLSG-NBOOPKSLSA-N 2 1 294.483 3.316 20 0 CGADMP CCSC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173299271 808599592 /nfs/dbraw/zinc/59/95/92/808599592.db2.gz UKXOLKKPOMDZHU-KKUMJFAQSA-N 2 1 272.502 3.356 20 0 CGADMP C[NH+](C)Cc1cccc(Nc2cc[nH+]c3ccccc23)c1 ZINC001174038959 808837417 /nfs/dbraw/zinc/83/74/17/808837417.db2.gz UPZKZJMVTQUQQB-UHFFFAOYSA-N 2 1 277.371 3.462 20 0 CGADMP CCOC(C)(C)C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001274942164 808892966 /nfs/dbraw/zinc/89/29/66/808892966.db2.gz DOIKSAJAZOQGCR-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CCOC(C)(C)C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001274942164 808892971 /nfs/dbraw/zinc/89/29/71/808892971.db2.gz DOIKSAJAZOQGCR-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC2(C1)CCC[N@H+](CCOC)C2 ZINC001274980343 808896397 /nfs/dbraw/zinc/89/63/97/808896397.db2.gz JKKHIKMXHNKKOM-KRWDZBQOSA-N 2 1 296.499 3.247 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](CCOC)C2 ZINC001274980343 808896398 /nfs/dbraw/zinc/89/63/98/808896398.db2.gz JKKHIKMXHNKKOM-KRWDZBQOSA-N 2 1 296.499 3.247 20 0 CGADMP CCC(CC)C[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275073270 808904050 /nfs/dbraw/zinc/90/40/50/808904050.db2.gz UJWNMFQDOOPVMN-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CCC(CC)C[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275073270 808904061 /nfs/dbraw/zinc/90/40/61/808904061.db2.gz UJWNMFQDOOPVMN-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)cccc1Cl ZINC001275635485 808953106 /nfs/dbraw/zinc/95/31/06/808953106.db2.gz ZUSVRJWXHHDWMZ-AGUYFDCRSA-N 2 1 278.827 3.363 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cccc1Cl ZINC001275635485 808953114 /nfs/dbraw/zinc/95/31/14/808953114.db2.gz ZUSVRJWXHHDWMZ-AGUYFDCRSA-N 2 1 278.827 3.363 20 0 CGADMP c1cncc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001275885349 808973886 /nfs/dbraw/zinc/97/38/86/808973886.db2.gz DHRNSNZRXOZQIC-UHFFFAOYSA-N 2 1 299.462 3.312 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1C ZINC001275966623 808981348 /nfs/dbraw/zinc/98/13/48/808981348.db2.gz DIVNKKZFXNYPEE-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276030564 808984783 /nfs/dbraw/zinc/98/47/83/808984783.db2.gz DQOXWMVKAXVKSS-NXOAAHMSSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276030564 808984785 /nfs/dbraw/zinc/98/47/85/808984785.db2.gz DQOXWMVKAXVKSS-NXOAAHMSSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276030564 808984789 /nfs/dbraw/zinc/98/47/89/808984789.db2.gz DQOXWMVKAXVKSS-NXOAAHMSSA-N 2 1 276.468 3.229 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3[nH]ccc31)C2 ZINC001276233013 808994297 /nfs/dbraw/zinc/99/42/97/808994297.db2.gz PUPQJJSXZCROSJ-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC001276233013 808994301 /nfs/dbraw/zinc/99/43/01/808994301.db2.gz PUPQJJSXZCROSJ-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC001276233013 808994304 /nfs/dbraw/zinc/99/43/04/808994304.db2.gz PUPQJJSXZCROSJ-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc(C)n1 ZINC001276398296 809005023 /nfs/dbraw/zinc/00/50/23/809005023.db2.gz QIYAAXDRQOTGIM-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc(C)n1 ZINC001276398296 809005030 /nfs/dbraw/zinc/00/50/30/809005030.db2.gz QIYAAXDRQOTGIM-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc(C)n1 ZINC001276398296 809005038 /nfs/dbraw/zinc/00/50/38/809005038.db2.gz QIYAAXDRQOTGIM-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc(C)n1 ZINC001276398296 809005044 /nfs/dbraw/zinc/00/50/44/809005044.db2.gz QIYAAXDRQOTGIM-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)sc1C ZINC001276527200 809013686 /nfs/dbraw/zinc/01/36/86/809013686.db2.gz JCDSBNOEHABBHP-GASCZTMLSA-N 2 1 278.465 3.139 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)sc1C ZINC001276527200 809013693 /nfs/dbraw/zinc/01/36/93/809013693.db2.gz JCDSBNOEHABBHP-GASCZTMLSA-N 2 1 278.465 3.139 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)sc1C ZINC001276527200 809013700 /nfs/dbraw/zinc/01/37/00/809013700.db2.gz JCDSBNOEHABBHP-GASCZTMLSA-N 2 1 278.465 3.139 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCC2CC2)C3)c1 ZINC001276512850 809014142 /nfs/dbraw/zinc/01/41/42/809014142.db2.gz AWJLGAQZZWNOQC-SFHVURJKSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCC2CC2)C3)c1 ZINC001276512850 809014148 /nfs/dbraw/zinc/01/41/48/809014148.db2.gz AWJLGAQZZWNOQC-SFHVURJKSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCC2CC2)C3)c1 ZINC001276512850 809014152 /nfs/dbraw/zinc/01/41/52/809014152.db2.gz AWJLGAQZZWNOQC-SFHVURJKSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCC2CC2)C3)c1 ZINC001276512850 809014158 /nfs/dbraw/zinc/01/41/58/809014158.db2.gz AWJLGAQZZWNOQC-SFHVURJKSA-N 2 1 287.451 3.103 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759164 809028592 /nfs/dbraw/zinc/02/85/92/809028592.db2.gz JPGQVLSLSJKUDR-XWTMOSNGSA-N 2 1 274.452 3.006 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759164 809028598 /nfs/dbraw/zinc/02/85/98/809028598.db2.gz JPGQVLSLSJKUDR-XWTMOSNGSA-N 2 1 274.452 3.006 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759164 809028606 /nfs/dbraw/zinc/02/86/06/809028606.db2.gz JPGQVLSLSJKUDR-XWTMOSNGSA-N 2 1 274.452 3.006 20 0 CGADMP CC[C@@H](C)[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001277808319 809098340 /nfs/dbraw/zinc/09/83/40/809098340.db2.gz VZGVUTPCHBKDBM-OAHLLOKOSA-N 2 1 272.436 3.264 20 0 CGADMP C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)C1 ZINC001277930930 809106051 /nfs/dbraw/zinc/10/60/51/809106051.db2.gz WYAUDWLBLRRRQK-ZXFUBFMLSA-N 2 1 262.441 3.457 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)c(Cl)cn3)(C1)CCC2 ZINC001278301422 809124110 /nfs/dbraw/zinc/12/41/10/809124110.db2.gz SXINNIHKPULSKC-JKSUJKDBSA-N 2 1 293.842 3.198 20 0 CGADMP CC(C)n1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC001177299544 809792279 /nfs/dbraw/zinc/79/22/79/809792279.db2.gz UTZAGWVWSXQLPK-INIZCTEOSA-N 2 1 292.471 3.066 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC001177742478 809818056 /nfs/dbraw/zinc/81/80/56/809818056.db2.gz IVOTWUPHYQFRHK-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP CS[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001178934072 809895013 /nfs/dbraw/zinc/89/50/13/809895013.db2.gz HXYWJDAJVHAXLO-KGLIPLIRSA-N 2 1 270.486 3.125 20 0 CGADMP CS[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001178934072 809895018 /nfs/dbraw/zinc/89/50/18/809895018.db2.gz HXYWJDAJVHAXLO-KGLIPLIRSA-N 2 1 270.486 3.125 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C12CCCCC2 ZINC001194092397 811014134 /nfs/dbraw/zinc/01/41/34/811014134.db2.gz OYNXHIPIYMXBBH-YESZJQIVSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCC[C@H](C)C1 ZINC001194715142 811114620 /nfs/dbraw/zinc/11/46/20/811114620.db2.gz MKAZZRUQEIBDQO-OKZBNKHCSA-N 2 1 298.515 3.368 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCC[C@H](C)C1 ZINC001194715142 811114626 /nfs/dbraw/zinc/11/46/26/811114626.db2.gz MKAZZRUQEIBDQO-OKZBNKHCSA-N 2 1 298.515 3.368 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCC[C@H](C)C1 ZINC001194715142 811114636 /nfs/dbraw/zinc/11/46/36/811114636.db2.gz MKAZZRUQEIBDQO-OKZBNKHCSA-N 2 1 298.515 3.368 20 0 CGADMP CCCc1ccc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC001197702533 811447156 /nfs/dbraw/zinc/44/71/56/811447156.db2.gz ZXWIHKDEJHIJSE-ZWKOTPCHSA-N 2 1 272.436 3.308 20 0 CGADMP CCO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC001198942986 811553020 /nfs/dbraw/zinc/55/30/20/811553020.db2.gz MRIQCVZCIGWQRR-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001199336783 811572920 /nfs/dbraw/zinc/57/29/20/811572920.db2.gz WVALLDIZDLONFV-OKZBNKHCSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201486828 811861087 /nfs/dbraw/zinc/86/10/87/811861087.db2.gz MTUGFUPWLYCMFE-ZACQAIPSSA-N 2 1 264.457 3.252 20 0 CGADMP CC(C)=CCC[C@@H](C)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201486828 811861093 /nfs/dbraw/zinc/86/10/93/811861093.db2.gz MTUGFUPWLYCMFE-ZACQAIPSSA-N 2 1 264.457 3.252 20 0 CGADMP CC(C)=CCC[C@@H](C)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201486828 811861098 /nfs/dbraw/zinc/86/10/98/811861098.db2.gz MTUGFUPWLYCMFE-ZACQAIPSSA-N 2 1 264.457 3.252 20 0 CGADMP CC[C@H](C)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001201501822 811871029 /nfs/dbraw/zinc/87/10/29/811871029.db2.gz BWQNWAZEWXUALA-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP CC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001201580933 811911833 /nfs/dbraw/zinc/91/18/33/811911833.db2.gz LNEZESHKAJTCRX-BPUTZDHNSA-N 2 1 278.465 3.300 20 0 CGADMP CC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001201580933 811911836 /nfs/dbraw/zinc/91/18/36/811911836.db2.gz LNEZESHKAJTCRX-BPUTZDHNSA-N 2 1 278.465 3.300 20 0 CGADMP CC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001201580933 811911840 /nfs/dbraw/zinc/91/18/40/811911840.db2.gz LNEZESHKAJTCRX-BPUTZDHNSA-N 2 1 278.465 3.300 20 0 CGADMP CCCCCCN1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201753936 811959306 /nfs/dbraw/zinc/95/93/06/811959306.db2.gz GBUARLCVEYZPJD-QGZVFWFLSA-N 2 1 282.472 3.142 20 0 CGADMP CCCCCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201753936 811959309 /nfs/dbraw/zinc/95/93/09/811959309.db2.gz GBUARLCVEYZPJD-QGZVFWFLSA-N 2 1 282.472 3.142 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001201953977 811983057 /nfs/dbraw/zinc/98/30/57/811983057.db2.gz CJFVYZQYTUPPTH-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1Cl ZINC001203269826 812286280 /nfs/dbraw/zinc/28/62/80/812286280.db2.gz DVUDRCRAYDERJA-GFCCVEGCSA-N 2 1 254.805 3.078 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cc(C)cc3C)C[C@@H]2C1 ZINC001203741906 812447682 /nfs/dbraw/zinc/44/76/82/812447682.db2.gz WWGZZVOLZKPTKM-HDICACEKSA-N 2 1 286.463 3.385 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cc(C)cc3C)C[C@@H]2C1 ZINC001203741906 812447685 /nfs/dbraw/zinc/44/76/85/812447685.db2.gz WWGZZVOLZKPTKM-HDICACEKSA-N 2 1 286.463 3.385 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3C)C[C@@H]2C1 ZINC001203741906 812447690 /nfs/dbraw/zinc/44/76/90/812447690.db2.gz WWGZZVOLZKPTKM-HDICACEKSA-N 2 1 286.463 3.385 20 0 CGADMP CC(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001204089873 812546381 /nfs/dbraw/zinc/54/63/81/812546381.db2.gz SEGCLEKQLDIHKC-BPQIPLTHSA-N 2 1 272.436 3.240 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)co1 ZINC001204243501 812583555 /nfs/dbraw/zinc/58/35/55/812583555.db2.gz WJBIPSXOVODYCS-INIZCTEOSA-N 2 1 262.397 3.120 20 0 CGADMP c1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)co1 ZINC001204243501 812583560 /nfs/dbraw/zinc/58/35/60/812583560.db2.gz WJBIPSXOVODYCS-INIZCTEOSA-N 2 1 262.397 3.120 20 0 CGADMP CC[C@H](C)[N@@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204264064 812591973 /nfs/dbraw/zinc/59/19/73/812591973.db2.gz RCPXNHYJJXPPQL-HNNXBMFYSA-N 2 1 278.440 3.247 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001204526785 812667900 /nfs/dbraw/zinc/66/79/00/812667900.db2.gz SDUITAQCCSOYPK-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP CCC[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@@H](C)CC ZINC001204630723 812694968 /nfs/dbraw/zinc/69/49/68/812694968.db2.gz SFPBQUJWXRJKMS-INIZCTEOSA-N 2 1 289.467 3.107 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204692154 812709475 /nfs/dbraw/zinc/70/94/75/812709475.db2.gz UQQHKZBUDJBPQO-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP Fc1ccc(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204734952 812720326 /nfs/dbraw/zinc/72/03/26/812720326.db2.gz HBHIOUOFZASTPM-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP Fc1ccc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204734952 812720332 /nfs/dbraw/zinc/72/03/32/812720332.db2.gz HBHIOUOFZASTPM-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204763448 812729158 /nfs/dbraw/zinc/72/91/58/812729158.db2.gz KOCVCUPXBBKYSC-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@@]1([NH3+])CC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204763448 812729163 /nfs/dbraw/zinc/72/91/63/812729163.db2.gz KOCVCUPXBBKYSC-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+]Cc1cccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001204854565 812754811 /nfs/dbraw/zinc/75/48/11/812754811.db2.gz PRRSZGIZTNFOIG-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001204854565 812754815 /nfs/dbraw/zinc/75/48/15/812754815.db2.gz PRRSZGIZTNFOIG-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP Clc1ccc(C2=CC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC001204870408 812759405 /nfs/dbraw/zinc/75/94/05/812759405.db2.gz SENOADBJMKPABZ-ZDUSSCGKSA-N 2 1 276.811 3.039 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204937358 812785608 /nfs/dbraw/zinc/78/56/08/812785608.db2.gz COFKETNTYDAGGP-NVXWUHKLSA-N 2 1 284.488 3.421 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001205017530 812827811 /nfs/dbraw/zinc/82/78/11/812827811.db2.gz PJOXVJGAELWHRO-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001205095180 812861491 /nfs/dbraw/zinc/86/14/91/812861491.db2.gz UYZGTSDXKLXIMW-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001205095051 812861677 /nfs/dbraw/zinc/86/16/77/812861677.db2.gz UFPZSFMHQAHLFD-LBPRGKRZSA-N 2 1 290.304 3.158 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001205095051 812861691 /nfs/dbraw/zinc/86/16/91/812861691.db2.gz UFPZSFMHQAHLFD-LBPRGKRZSA-N 2 1 290.304 3.158 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001205094820 812862288 /nfs/dbraw/zinc/86/22/88/812862288.db2.gz QLQYFOQAXCVSJY-LLVKDONJSA-N 2 1 290.304 3.158 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001205094820 812862296 /nfs/dbraw/zinc/86/22/96/812862296.db2.gz QLQYFOQAXCVSJY-LLVKDONJSA-N 2 1 290.304 3.158 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001205094548 812862323 /nfs/dbraw/zinc/86/23/23/812862323.db2.gz MWDSOGKOVYKBSK-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001205101433 812864480 /nfs/dbraw/zinc/86/44/80/812864480.db2.gz FEBAMQPBGJLCDV-GOSISDBHSA-N 2 1 281.403 3.062 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3ccsc3c2)CC1 ZINC001205117826 812875295 /nfs/dbraw/zinc/87/52/95/812875295.db2.gz WLSNEIMHFOLSQP-CQSZACIVSA-N 2 1 260.406 3.215 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC1 ZINC001205124657 812878187 /nfs/dbraw/zinc/87/81/87/812878187.db2.gz XGUZBBQQZFLNAU-MRXNPFEDSA-N 2 1 281.403 3.062 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001205170670 812897695 /nfs/dbraw/zinc/89/76/95/812897695.db2.gz ATNCXSYVOSIBQK-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001205170670 812897703 /nfs/dbraw/zinc/89/77/03/812897703.db2.gz ATNCXSYVOSIBQK-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)ccc2c1 ZINC001205266729 812921809 /nfs/dbraw/zinc/92/18/09/812921809.db2.gz XAAWWUBFIXBPBF-GOSISDBHSA-N 2 1 283.419 3.247 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205266763 812922011 /nfs/dbraw/zinc/92/20/11/812922011.db2.gz XLOQFMKBBHTLNC-QGZVFWFLSA-N 2 1 276.424 3.179 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273704 812925913 /nfs/dbraw/zinc/92/59/13/812925913.db2.gz PDDRHUQLPDAQMT-GOSISDBHSA-N 2 1 285.435 3.365 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC001205273906 812925966 /nfs/dbraw/zinc/92/59/66/812925966.db2.gz RFHVLZGLOZLHFH-KRWDZBQOSA-N 2 1 258.409 3.267 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205274382 812926232 /nfs/dbraw/zinc/92/62/32/812926232.db2.gz WROZVUFOIXRNEL-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001205273676 812926585 /nfs/dbraw/zinc/92/65/85/812926585.db2.gz OICBCRKMUOSRRV-GOSISDBHSA-N 2 1 284.403 3.249 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC001205296836 812937429 /nfs/dbraw/zinc/93/74/29/812937429.db2.gz UPCYYJUODQALRN-JWDQPFGJSA-N 2 1 292.854 3.360 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc21 ZINC001205303624 812942385 /nfs/dbraw/zinc/94/23/85/812942385.db2.gz ISYKQICAVKUDSE-RHSMWYFYSA-N 2 1 285.435 3.078 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)c1C ZINC001205305011 812943740 /nfs/dbraw/zinc/94/37/40/812943740.db2.gz QMWBQQJKSDFAQB-MLGOLLRUSA-N 2 1 290.451 3.037 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(F)c1 ZINC001205319073 812952156 /nfs/dbraw/zinc/95/21/56/812952156.db2.gz YFUJCJMLRLYRSP-UKRRQHHQSA-N 2 1 294.414 3.030 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(F)c1 ZINC001205319073 812952159 /nfs/dbraw/zinc/95/21/59/812952159.db2.gz YFUJCJMLRLYRSP-UKRRQHHQSA-N 2 1 294.414 3.030 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205319042 812952170 /nfs/dbraw/zinc/95/21/70/812952170.db2.gz XWOJOGLGAMNVPV-KXBFYZLASA-N 2 1 295.430 3.165 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205325418 812956045 /nfs/dbraw/zinc/95/60/45/812956045.db2.gz MZHGQYGDPRQIJP-GFCCVEGCSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205325418 812956051 /nfs/dbraw/zinc/95/60/51/812956051.db2.gz MZHGQYGDPRQIJP-GFCCVEGCSA-N 2 1 274.433 3.394 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1CCCCCOCc1ccccc1 ZINC001205325971 812956772 /nfs/dbraw/zinc/95/67/72/812956772.db2.gz SJJYQAGTMSUBRO-QGZVFWFLSA-N 2 1 290.451 3.057 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205559884 813003852 /nfs/dbraw/zinc/00/38/52/813003852.db2.gz WPJXTMUHLMPCMV-QGZVFWFLSA-N 2 1 294.414 3.128 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1C ZINC001205570369 813008776 /nfs/dbraw/zinc/00/87/76/813008776.db2.gz JDQQPUXNDIPNNK-KRWDZBQOSA-N 2 1 278.415 3.265 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(F)cc23)CC[C@H]1C[NH3+] ZINC001205616070 813026261 /nfs/dbraw/zinc/02/62/61/813026261.db2.gz CUWYEDSGDCEECO-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cccnc3c2)CC[C@H]1C[NH3+] ZINC001205616003 813027345 /nfs/dbraw/zinc/02/73/45/813027345.db2.gz BRHJLVPJJPRXSO-PBHICJAKSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205618796 813028556 /nfs/dbraw/zinc/02/85/56/813028556.db2.gz YWKUDGQXARMDKF-WCQYABFASA-N 2 1 282.378 3.080 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205625967 813032136 /nfs/dbraw/zinc/03/21/36/813032136.db2.gz DAUWUJOKDAGGBD-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205627386 813032397 /nfs/dbraw/zinc/03/23/97/813032397.db2.gz OWQFOMMHHVEUEI-DGCLKSJQSA-N 2 1 284.806 3.286 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205626451 813032820 /nfs/dbraw/zinc/03/28/20/813032820.db2.gz GIUVEWBRZTZSSX-CRAIPNDOSA-N 2 1 274.452 3.446 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)CC[C@@H]1C[NH3+] ZINC001205637722 813036800 /nfs/dbraw/zinc/03/68/00/813036800.db2.gz IIALYGLWDJETRP-WDEREUQCSA-N 2 1 272.845 3.208 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205639166 813039256 /nfs/dbraw/zinc/03/92/56/813039256.db2.gz WTAZEGKTURFEBO-QWHCGFSZSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC[C@H]1C[NH3+] ZINC001205651159 813042266 /nfs/dbraw/zinc/04/22/66/813042266.db2.gz AQQZONVKWJBVDO-HOCLYGCPSA-N 2 1 299.418 3.148 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC001205716410 813058937 /nfs/dbraw/zinc/05/89/37/813058937.db2.gz IBVDGZTXIMCFNT-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC001205716410 813058943 /nfs/dbraw/zinc/05/89/43/813058943.db2.gz IBVDGZTXIMCFNT-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1cccc2c(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205815152 813092404 /nfs/dbraw/zinc/09/24/04/813092404.db2.gz FOBAAZWOLNODME-BBRMVZONSA-N 2 1 285.435 3.290 20 0 CGADMP CCc1cccc2c(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205815152 813092413 /nfs/dbraw/zinc/09/24/13/813092413.db2.gz FOBAAZWOLNODME-BBRMVZONSA-N 2 1 285.435 3.290 20 0 CGADMP C[C@@H]1CC[C@@H](CN)[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827964 813098696 /nfs/dbraw/zinc/09/86/96/813098696.db2.gz IJFHJSJBFSYGQO-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827964 813098702 /nfs/dbraw/zinc/09/87/02/813098702.db2.gz IJFHJSJBFSYGQO-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)nc1 ZINC001205901581 813122583 /nfs/dbraw/zinc/12/25/83/813122583.db2.gz DIHCQIZWHGKEME-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001205903013 813124173 /nfs/dbraw/zinc/12/41/73/813124173.db2.gz MTIQCFLBBRIHMM-JSGCOSHPSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205903600 813126685 /nfs/dbraw/zinc/12/66/85/813126685.db2.gz QGVYXUYZHGVCGX-HIFRSBDPSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2ccccc21 ZINC001205904416 813126751 /nfs/dbraw/zinc/12/67/51/813126751.db2.gz VAWVWJGLASPTEB-GOEBONIOSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC001205913254 813129799 /nfs/dbraw/zinc/12/97/99/813129799.db2.gz IAZYATFZOQBCBH-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205994327 813155267 /nfs/dbraw/zinc/15/52/67/813155267.db2.gz KUSGJBIKLRJGHM-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205992003 813155287 /nfs/dbraw/zinc/15/52/87/813155287.db2.gz CUSDLZQKQLLBKQ-KBPBESRZSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1C[N@@H+](Cc2nc3ccccc3s2)CCC[C@H]1C[NH3+] ZINC001205992064 813155441 /nfs/dbraw/zinc/15/54/41/813155441.db2.gz DEZXASFVSJQAIT-STQMWFEESA-N 2 1 289.448 3.103 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001205996014 813156956 /nfs/dbraw/zinc/15/69/56/813156956.db2.gz TURADNKYDZJGRK-LSDHHAIUSA-N 2 1 285.435 3.283 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206004958 813162021 /nfs/dbraw/zinc/16/20/21/813162021.db2.gz VUJADZJBUNAVLQ-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206005589 813162779 /nfs/dbraw/zinc/16/27/79/813162779.db2.gz YUEVMHHTDVAEPB-GOEBONIOSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001206011203 813163495 /nfs/dbraw/zinc/16/34/95/813163495.db2.gz AOWBHTKSQNCKNJ-SWLSCSKDSA-N 2 1 282.378 3.431 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(C)c1F ZINC001206013185 813165333 /nfs/dbraw/zinc/16/53/33/813165333.db2.gz QARJOLSEEYPKDZ-GDBMZVCRSA-N 2 1 278.415 3.249 20 0 CGADMP Cc1cccc2c1C[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001206080825 813192908 /nfs/dbraw/zinc/19/29/08/813192908.db2.gz GRNVHTCRRGVQOV-UHFFFAOYSA-N 2 1 264.372 3.114 20 0 CGADMP C[C@H]1CCC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1C ZINC001206110507 813202712 /nfs/dbraw/zinc/20/27/12/813202712.db2.gz ZWWWGDKHTIMONB-LSDHHAIUSA-N 2 1 264.457 3.134 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206163217 813219964 /nfs/dbraw/zinc/21/99/64/813219964.db2.gz ASGKQBZZZGFTAO-IAGOWNOFSA-N 2 1 294.414 3.127 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206163787 813221249 /nfs/dbraw/zinc/22/12/49/813221249.db2.gz FUEMEVFRORJMDS-LSDHHAIUSA-N 2 1 284.444 3.352 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1C(C)C ZINC001206172546 813224245 /nfs/dbraw/zinc/22/42/45/813224245.db2.gz APADWKBOLRCBJZ-JKSUJKDBSA-N 2 1 294.414 3.080 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccnc2)CC[C@H]1F ZINC001206174587 813226611 /nfs/dbraw/zinc/22/66/11/813226611.db2.gz OHTVTRVLTFVUDX-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccnc2)CC[C@H]1F ZINC001206174587 813226618 /nfs/dbraw/zinc/22/66/18/813226618.db2.gz OHTVTRVLTFVUDX-QZTJIDSGSA-N 2 1 299.393 3.010 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3cccnc32)CC1 ZINC001206304171 813280129 /nfs/dbraw/zinc/28/01/29/813280129.db2.gz GRBWUHGGAMENHB-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)ccc21 ZINC001206305220 813282078 /nfs/dbraw/zinc/28/20/78/813282078.db2.gz WFWAZCLKGJEGKJ-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)ccc2c1 ZINC001206304967 813282233 /nfs/dbraw/zinc/28/22/33/813282233.db2.gz SEOJJDHOCCMHMK-LJQANCHMSA-N 2 1 297.446 3.494 20 0 CGADMP CSc1cc(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206317225 813287230 /nfs/dbraw/zinc/28/72/30/813287230.db2.gz DCTAGVSEDVGONB-MRXNPFEDSA-N 2 1 293.480 3.063 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1C ZINC001206325283 813290637 /nfs/dbraw/zinc/29/06/37/813290637.db2.gz HBQXOUPUCZVZDU-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206335631 813294092 /nfs/dbraw/zinc/29/40/92/813294092.db2.gz HHHNFDNNDNEVGR-KRWDZBQOSA-N 2 1 294.414 3.094 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206338022 813294881 /nfs/dbraw/zinc/29/48/81/813294881.db2.gz XZDOBWZKKJIDAC-CABCVRRESA-N 2 1 258.425 3.356 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206338022 813294885 /nfs/dbraw/zinc/29/48/85/813294885.db2.gz XZDOBWZKKJIDAC-CABCVRRESA-N 2 1 258.425 3.356 20 0 CGADMP COc1cc(C)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206583472 813364182 /nfs/dbraw/zinc/36/41/82/813364182.db2.gz VCSBEYVYAKYBJI-QGZVFWFLSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206592153 813367983 /nfs/dbraw/zinc/36/79/83/813367983.db2.gz XTRMILPFHXQWSI-MRXNPFEDSA-N 2 1 278.415 3.487 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001206606572 813373030 /nfs/dbraw/zinc/37/30/30/813373030.db2.gz PRVPVMHFRSNZGU-CQSZACIVSA-N 2 1 280.843 3.333 20 0 CGADMP CCCc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206624225 813379049 /nfs/dbraw/zinc/37/90/49/813379049.db2.gz REXTXYLHDVCDMQ-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206640824 813384408 /nfs/dbraw/zinc/38/44/08/813384408.db2.gz NJKQXPYKSVMHGW-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(F)c1 ZINC001206647999 813386859 /nfs/dbraw/zinc/38/68/59/813386859.db2.gz KVDNZTAJNDDKTE-AWEZNQCLSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(F)c1 ZINC001206647999 813386867 /nfs/dbraw/zinc/38/68/67/813386867.db2.gz KVDNZTAJNDDKTE-AWEZNQCLSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206648565 813388845 /nfs/dbraw/zinc/38/88/45/813388845.db2.gz MXJRVICDSGUMCY-CQSZACIVSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206648565 813388855 /nfs/dbraw/zinc/38/88/55/813388855.db2.gz MXJRVICDSGUMCY-CQSZACIVSA-N 2 1 294.414 3.174 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1c[nH+]ccc1N1CCCC1 ZINC001206729236 813409903 /nfs/dbraw/zinc/40/99/03/813409903.db2.gz IRZKYCFKNQMWAR-UHFFFAOYSA-N 2 1 297.406 3.195 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1CC ZINC001206767388 813430292 /nfs/dbraw/zinc/43/02/92/813430292.db2.gz AEZHTODDBDPZOQ-ZBFHGGJFSA-N 2 1 290.451 3.207 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cccc2)cc1 ZINC001206769014 813432161 /nfs/dbraw/zinc/43/21/61/813432161.db2.gz MJFFHPCJANXHFV-DOTOQJQBSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc2ccsc2c1 ZINC001206806599 813441562 /nfs/dbraw/zinc/44/15/62/813441562.db2.gz GVHUCYFHBLFGDN-OCCSQVGLSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1ncsc1CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001206991455 813462454 /nfs/dbraw/zinc/46/24/54/813462454.db2.gz HEULHVZSDMWHRU-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncsc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001206991455 813462456 /nfs/dbraw/zinc/46/24/56/813462456.db2.gz HEULHVZSDMWHRU-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncsc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001206991455 813462462 /nfs/dbraw/zinc/46/24/62/813462462.db2.gz HEULHVZSDMWHRU-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001206991455 813462467 /nfs/dbraw/zinc/46/24/67/813462467.db2.gz HEULHVZSDMWHRU-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncsc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001206991455 813462471 /nfs/dbraw/zinc/46/24/71/813462471.db2.gz HEULHVZSDMWHRU-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP CC1=CC[C@@H](CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1(C)C ZINC001207272631 813528737 /nfs/dbraw/zinc/52/87/37/813528737.db2.gz PSPGCYTXPPAZAG-IKGGRYGDSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1(C)C ZINC001207272631 813528741 /nfs/dbraw/zinc/52/87/41/813528741.db2.gz PSPGCYTXPPAZAG-IKGGRYGDSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1(C)C ZINC001207272631 813528746 /nfs/dbraw/zinc/52/87/46/813528746.db2.gz PSPGCYTXPPAZAG-IKGGRYGDSA-N 2 1 276.468 3.252 20 0 CGADMP CC[N@H+](Cc1ccc(F)cc1)CC(C)(C)C[NH+](C)C ZINC001207283089 813534320 /nfs/dbraw/zinc/53/43/20/813534320.db2.gz RFQVWZNFGYYQLT-UHFFFAOYSA-N 2 1 266.404 3.235 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)CC(C)(C)C[NH+](C)C ZINC001207283089 813534323 /nfs/dbraw/zinc/53/43/23/813534323.db2.gz RFQVWZNFGYYQLT-UHFFFAOYSA-N 2 1 266.404 3.235 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001207392213 813556594 /nfs/dbraw/zinc/55/65/94/813556594.db2.gz WOMZBBQUUWLCLY-UHFFFAOYSA-N 2 1 274.452 3.486 20 0 CGADMP CC[N@H+](Cc1cccc(F)c1F)CC1CC[NH+](C)CC1 ZINC001207399787 813556652 /nfs/dbraw/zinc/55/66/52/813556652.db2.gz SNFYRYVVWVDECE-UHFFFAOYSA-N 2 1 282.378 3.129 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC1 ZINC001207401163 813557188 /nfs/dbraw/zinc/55/71/88/813557188.db2.gz MUEJUJGCYAHXLN-QGZVFWFLSA-N 2 1 294.389 3.444 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001207400732 813557200 /nfs/dbraw/zinc/55/72/00/813557200.db2.gz BJJBTGNOXJDDJO-SFHVURJKSA-N 2 1 290.426 3.174 20 0 CGADMP C[N@H+](CCc1ccc(F)cc1)CCC1CC[NH+](C)CC1 ZINC001207485049 813573395 /nfs/dbraw/zinc/57/33/95/813573395.db2.gz QSFTWTRGNHQHED-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]21 ZINC001207615077 813614540 /nfs/dbraw/zinc/61/45/40/813614540.db2.gz MZOCRGVFKJCIFJ-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001207835350 813656066 /nfs/dbraw/zinc/65/60/66/813656066.db2.gz BEVATHDADMYHBI-TXOGFHGLSA-N 2 1 264.457 3.275 20 0 CGADMP c1ccc(C2(C[NH+]3CCC([NH+]4CCCC4)CC3)CC2)cc1 ZINC001207831795 813656082 /nfs/dbraw/zinc/65/60/82/813656082.db2.gz SNTAUALZRXPAJX-UHFFFAOYSA-N 2 1 284.447 3.278 20 0 CGADMP C[NH+]1CCC(C)(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC001208109842 813695151 /nfs/dbraw/zinc/69/51/51/813695151.db2.gz SUNPDQGYHDCYPQ-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP CS[C@H](C)CC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001208152470 813710527 /nfs/dbraw/zinc/71/05/27/813710527.db2.gz HLSJSQHTDIPOIZ-PMPSAXMXSA-N 2 1 284.513 3.467 20 0 CGADMP CS[C@H](C)CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208152470 813710530 /nfs/dbraw/zinc/71/05/30/813710530.db2.gz HLSJSQHTDIPOIZ-PMPSAXMXSA-N 2 1 284.513 3.467 20 0 CGADMP CS[C@H](C)CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001208152470 813710532 /nfs/dbraw/zinc/71/05/32/813710532.db2.gz HLSJSQHTDIPOIZ-PMPSAXMXSA-N 2 1 284.513 3.467 20 0 CGADMP COCC[N@H+](C[C@@H]1CCC(C)=C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001208178000 813728576 /nfs/dbraw/zinc/72/85/76/813728576.db2.gz UYHDOKMPSFHOHE-IRXDYDNUSA-N 2 1 294.483 3.021 20 0 CGADMP COCC[N@@H+](C[C@@H]1CCC(C)=C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001208178000 813728579 /nfs/dbraw/zinc/72/85/79/813728579.db2.gz UYHDOKMPSFHOHE-IRXDYDNUSA-N 2 1 294.483 3.021 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001208181538 813732298 /nfs/dbraw/zinc/73/22/98/813732298.db2.gz NQWULJDCUSMCGK-ULQDDVLXSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001208181538 813732302 /nfs/dbraw/zinc/73/23/02/813732302.db2.gz NQWULJDCUSMCGK-ULQDDVLXSA-N 2 1 262.441 3.006 20 0 CGADMP CC[N@@H+](CC1CC[NH+](CC)CC1)C1CCCCC1 ZINC001208592730 813769544 /nfs/dbraw/zinc/76/95/44/813769544.db2.gz ANNKPJSEPXGSOS-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001208600756 813771200 /nfs/dbraw/zinc/77/12/00/813771200.db2.gz VHBYKHWVMQGFGZ-SFHVURJKSA-N 2 1 287.451 3.341 20 0 CGADMP COc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612722 813773287 /nfs/dbraw/zinc/77/32/87/813773287.db2.gz NIRREEZOKIXFTB-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612722 813773294 /nfs/dbraw/zinc/77/32/94/813773294.db2.gz NIRREEZOKIXFTB-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208612722 813773297 /nfs/dbraw/zinc/77/32/97/813773297.db2.gz NIRREEZOKIXFTB-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612722 813773301 /nfs/dbraw/zinc/77/33/01/813773301.db2.gz NIRREEZOKIXFTB-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614962 813773865 /nfs/dbraw/zinc/77/38/65/813773865.db2.gz FZPHIJCJJCDSBE-HNNXBMFYSA-N 2 1 272.436 3.122 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614962 813773870 /nfs/dbraw/zinc/77/38/70/813773870.db2.gz FZPHIJCJJCDSBE-HNNXBMFYSA-N 2 1 272.436 3.122 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614962 813773875 /nfs/dbraw/zinc/77/38/75/813773875.db2.gz FZPHIJCJJCDSBE-HNNXBMFYSA-N 2 1 272.436 3.122 20 0 CGADMP CC/C=C\CC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208726314 813815310 /nfs/dbraw/zinc/81/53/10/813815310.db2.gz TYNINFRWXQYAPA-HFZJXRFXSA-N 2 1 290.476 3.468 20 0 CGADMP C[C@]1(CF)CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940355 813904853 /nfs/dbraw/zinc/90/48/53/813904853.db2.gz BUVIOLMYCUWZJX-QZTJIDSGSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@]1(CF)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940355 813904856 /nfs/dbraw/zinc/90/48/56/813904856.db2.gz BUVIOLMYCUWZJX-QZTJIDSGSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@]1(CF)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940355 813904860 /nfs/dbraw/zinc/90/48/60/813904860.db2.gz BUVIOLMYCUWZJX-QZTJIDSGSA-N 2 1 290.426 3.190 20 0 CGADMP CCOC(C)(C)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209075060 813926368 /nfs/dbraw/zinc/92/63/68/813926368.db2.gz NJQKEAHHCRRSBH-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CCOc2ccccc2)CC1 ZINC001209300342 813996433 /nfs/dbraw/zinc/99/64/33/813996433.db2.gz RKYYLFZSTKNFHA-UHFFFAOYSA-N 2 1 290.451 3.262 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209416847 814020593 /nfs/dbraw/zinc/02/05/93/814020593.db2.gz SWHVAUAJPWWXQB-SJLPKXTDSA-N 2 1 299.462 3.026 20 0 CGADMP Cc1cccc2c(C[NH+]3CCC([NH+]4CCC4)CC3)c[nH]c21 ZINC001209489631 814057641 /nfs/dbraw/zinc/05/76/41/814057641.db2.gz KQHTVGPAQFAFMN-UHFFFAOYSA-N 2 1 283.419 3.146 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)[nH]1 ZINC001209572875 814086744 /nfs/dbraw/zinc/08/67/44/814086744.db2.gz JBVDDZUONXWMHB-KRWDZBQOSA-N 2 1 275.440 3.164 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)[nH]1 ZINC001209572875 814086753 /nfs/dbraw/zinc/08/67/53/814086753.db2.gz JBVDDZUONXWMHB-KRWDZBQOSA-N 2 1 275.440 3.164 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209734012 814124267 /nfs/dbraw/zinc/12/42/67/814124267.db2.gz KJHNORFGKVKYTA-UHFFFAOYSA-N 2 1 269.392 3.296 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209734012 814124269 /nfs/dbraw/zinc/12/42/69/814124269.db2.gz KJHNORFGKVKYTA-UHFFFAOYSA-N 2 1 269.392 3.296 20 0 CGADMP CC(C)[N@H+](Cc1c[nH+]ccc1N)[C@@H](C)c1ccccc1 ZINC001209733634 814125103 /nfs/dbraw/zinc/12/51/03/814125103.db2.gz PVCFNNLUTLAANR-AWEZNQCLSA-N 2 1 269.392 3.466 20 0 CGADMP CC(C)[N@@H+](Cc1c[nH+]ccc1N)[C@@H](C)c1ccccc1 ZINC001209733634 814125110 /nfs/dbraw/zinc/12/51/10/814125110.db2.gz PVCFNNLUTLAANR-AWEZNQCLSA-N 2 1 269.392 3.466 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210496567 814489530 /nfs/dbraw/zinc/48/95/30/814489530.db2.gz IOSKERVEVDAOMM-GFCCVEGCSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210496567 814489534 /nfs/dbraw/zinc/48/95/34/814489534.db2.gz IOSKERVEVDAOMM-GFCCVEGCSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1cccc(-c2ccc(C[NH+]3CC(C[NH3+])C3)cc2)c1 ZINC001210546545 814519368 /nfs/dbraw/zinc/51/93/68/814519368.db2.gz XURPJICVHYNFFX-UHFFFAOYSA-N 2 1 266.388 3.053 20 0 CGADMP C[NH+](C)Cc1cccc(Nc2c[nH+]c3ccccn23)c1F ZINC001216227414 815745281 /nfs/dbraw/zinc/74/52/81/815745281.db2.gz FXPDDUWDXAWSCR-UHFFFAOYSA-N 2 1 284.338 3.279 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222142224 816360301 /nfs/dbraw/zinc/36/03/01/816360301.db2.gz XYBIKRBFSPWCIJ-WMZOPIPTSA-N 2 1 296.499 3.029 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155225 816363271 /nfs/dbraw/zinc/36/32/71/816363271.db2.gz YHBYXPRPVGSEJY-CVEARBPZSA-N 2 1 252.446 3.278 20 0 CGADMP Oc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161397 816365746 /nfs/dbraw/zinc/36/57/46/816365746.db2.gz NNTHJXBXZBUFSY-SFHVURJKSA-N 2 1 288.435 3.138 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222230847 816379316 /nfs/dbraw/zinc/37/93/16/816379316.db2.gz FEVBOAXXUXBAFP-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP Clc1cccc(CCC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222232318 816379385 /nfs/dbraw/zinc/37/93/85/816379385.db2.gz UXGXBWUJVZXZIQ-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222232318 816379389 /nfs/dbraw/zinc/37/93/89/816379389.db2.gz UXGXBWUJVZXZIQ-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP COc1cc(C)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001222249575 816386523 /nfs/dbraw/zinc/38/65/23/816386523.db2.gz UILNXACSFOOXBG-GOSISDBHSA-N 2 1 288.435 3.030 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001222249575 816386530 /nfs/dbraw/zinc/38/65/30/816386530.db2.gz UILNXACSFOOXBG-GOSISDBHSA-N 2 1 288.435 3.030 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265329 816390479 /nfs/dbraw/zinc/39/04/79/816390479.db2.gz RITRKZYCXOOWMR-LJQANCHMSA-N 2 1 297.446 3.144 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265077 816391137 /nfs/dbraw/zinc/39/11/37/816391137.db2.gz NUHXTKHGOHMQAS-IBGZPJMESA-N 2 1 297.446 3.442 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265077 816391142 /nfs/dbraw/zinc/39/11/42/816391142.db2.gz NUHXTKHGOHMQAS-IBGZPJMESA-N 2 1 297.446 3.442 20 0 CGADMP C[C@H](CC[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001222283381 816394844 /nfs/dbraw/zinc/39/48/44/816394844.db2.gz XMUXHBCYNITPMB-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001222283381 816394853 /nfs/dbraw/zinc/39/48/53/816394853.db2.gz XMUXHBCYNITPMB-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)s1 ZINC001222316787 816407676 /nfs/dbraw/zinc/40/76/76/816407676.db2.gz YLAMJOUTJDHUOR-INIZCTEOSA-N 2 1 278.465 3.419 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001222400937 816433849 /nfs/dbraw/zinc/43/38/49/816433849.db2.gz ODVHZXLECWHIAS-KBPBESRZSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCCC2(CCCC2)C1 ZINC001222400937 816433857 /nfs/dbraw/zinc/43/38/57/816433857.db2.gz ODVHZXLECWHIAS-KBPBESRZSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001222400939 816433901 /nfs/dbraw/zinc/43/39/01/816433901.db2.gz ODVHZXLECWHIAS-UONOGXRCSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCCC2(CCCC2)C1 ZINC001222400939 816433903 /nfs/dbraw/zinc/43/39/03/816433903.db2.gz ODVHZXLECWHIAS-UONOGXRCSA-N 2 1 286.410 3.133 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001222401530 816434009 /nfs/dbraw/zinc/43/40/09/816434009.db2.gz VEQQDFSSADUBCM-UHFFFAOYSA-N 2 1 258.409 3.302 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422384 816440132 /nfs/dbraw/zinc/44/01/32/816440132.db2.gz UOJGEEVUVZJWOC-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1(C)C ZINC001222465576 816451143 /nfs/dbraw/zinc/45/11/43/816451143.db2.gz VGEWJQQLBJAMFL-WBVHZDCISA-N 2 1 262.441 3.197 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1(C)C ZINC001222465576 816451145 /nfs/dbraw/zinc/45/11/45/816451145.db2.gz VGEWJQQLBJAMFL-WBVHZDCISA-N 2 1 262.441 3.197 20 0 CGADMP Cc1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC001222623489 816481330 /nfs/dbraw/zinc/48/13/30/816481330.db2.gz LQGJRJVQLZUPJJ-TXEJJXNPSA-N 2 1 284.856 3.141 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222629762 816484087 /nfs/dbraw/zinc/48/40/87/816484087.db2.gz NXYODCIILQXLIS-IYBDPMFKSA-N 2 1 290.476 3.148 20 0 CGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCC[NH+]1CCCCC1)C2 ZINC001224858664 816896146 /nfs/dbraw/zinc/89/61/46/816896146.db2.gz FEDQKPYTPZDMDU-PIIMJCKOSA-N 2 1 294.483 3.283 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(CC)s3)C[C@H]2C1 ZINC001231503228 818115956 /nfs/dbraw/zinc/11/59/56/818115956.db2.gz UNSCFHYGPFPEQA-ZIAGYGMSSA-N 2 1 278.465 3.084 20 0 CGADMP c1cc2c(s1)CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013078 818231972 /nfs/dbraw/zinc/23/19/72/818231972.db2.gz XGQUNJBRVFUELU-UHFFFAOYSA-N 2 1 269.373 3.183 20 0 CGADMP c1cc2c(s1)C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013820 818233148 /nfs/dbraw/zinc/23/31/48/818233148.db2.gz GOCUPEMZEIWIEL-UHFFFAOYSA-N 2 1 269.373 3.183 20 0 CGADMP c1cc2c(s1)C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013820 818233153 /nfs/dbraw/zinc/23/31/53/818233153.db2.gz GOCUPEMZEIWIEL-UHFFFAOYSA-N 2 1 269.373 3.183 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(C)c(F)c1 ZINC001232427276 818347364 /nfs/dbraw/zinc/34/73/64/818347364.db2.gz UDEDVUVHFUAWTR-UHFFFAOYSA-N 2 1 284.394 3.437 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(C)c(F)c1 ZINC001232427276 818347379 /nfs/dbraw/zinc/34/73/79/818347379.db2.gz UDEDVUVHFUAWTR-UHFFFAOYSA-N 2 1 284.394 3.437 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992145 818969930 /nfs/dbraw/zinc/96/99/30/818969930.db2.gz JCCIAZRAKWGQSP-HOTGVXAUSA-N 2 1 252.446 3.278 20 0 CGADMP Fc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235024940 818980765 /nfs/dbraw/zinc/98/07/65/818980765.db2.gz TZISNQSGUXCACR-UHFFFAOYSA-N 2 1 296.389 3.288 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001235026708 818982483 /nfs/dbraw/zinc/98/24/83/818982483.db2.gz QBFRJYUOYFFBMV-URLQWDBASA-N 2 1 280.415 3.237 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1(C)C ZINC001235032627 818984194 /nfs/dbraw/zinc/98/41/94/818984194.db2.gz SAPZHJXUOJFRFN-NVXWUHKLSA-N 2 1 262.441 3.054 20 0 CGADMP C(C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1)C1CCCC1 ZINC001235042635 818987865 /nfs/dbraw/zinc/98/78/65/818987865.db2.gz YXBARXAQMPGBSR-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235039740 818988974 /nfs/dbraw/zinc/98/89/74/818988974.db2.gz HXMLWPFDDGWPOR-KRWDZBQOSA-N 2 1 258.409 3.103 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046306 818990227 /nfs/dbraw/zinc/99/02/27/818990227.db2.gz PETOCFPYALFPPM-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235048422 818992206 /nfs/dbraw/zinc/99/22/06/818992206.db2.gz XZQKFVROJINBPD-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235064987 818992962 /nfs/dbraw/zinc/99/29/62/818992962.db2.gz ITQJQVYTBAJJAH-AFKOEOOISA-N 2 1 274.452 3.031 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235064987 818992967 /nfs/dbraw/zinc/99/29/67/818992967.db2.gz ITQJQVYTBAJJAH-AFKOEOOISA-N 2 1 274.452 3.031 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094051 818998831 /nfs/dbraw/zinc/99/88/31/818998831.db2.gz XLAFESPHHKNEPI-UHFFFAOYSA-N 2 1 292.854 3.348 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112141 819007039 /nfs/dbraw/zinc/00/70/39/819007039.db2.gz WRQJGAKYNMUDJD-VEGHNBABSA-N 2 1 288.479 3.421 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112141 819007046 /nfs/dbraw/zinc/00/70/46/819007046.db2.gz WRQJGAKYNMUDJD-VEGHNBABSA-N 2 1 288.479 3.421 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235143836 819014730 /nfs/dbraw/zinc/01/47/30/819014730.db2.gz MWMYZLAXXULHCD-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C2 ZINC001235150877 819016521 /nfs/dbraw/zinc/01/65/21/819016521.db2.gz AWRPKAUKPFCUAF-HXUWFJFHSA-N 2 1 298.474 3.256 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152686 819017927 /nfs/dbraw/zinc/01/79/27/819017927.db2.gz IBRPIZVRNUEDKU-SFHVURJKSA-N 2 1 290.426 3.488 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc2c1NCC2 ZINC001235156500 819018321 /nfs/dbraw/zinc/01/83/21/819018321.db2.gz HBVNIWQMQLTOQT-IBGZPJMESA-N 2 1 299.462 3.009 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235164548 819019983 /nfs/dbraw/zinc/01/99/83/819019983.db2.gz ASKUBAUPPKIFJJ-AYOQOUSVSA-N 2 1 286.463 3.412 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193958 819032619 /nfs/dbraw/zinc/03/26/19/819032619.db2.gz SZJOQFVKBPCBAR-ZIAGYGMSSA-N 2 1 286.444 3.251 20 0 CGADMP CCCCCCc1ccc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)s1 ZINC001235209199 819036453 /nfs/dbraw/zinc/03/64/53/819036453.db2.gz IZCINSXDFBBYGE-ZSHCYNCHSA-N 2 1 278.465 3.260 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001235240089 819044633 /nfs/dbraw/zinc/04/46/33/819044633.db2.gz MMHQNSKANIFMSZ-HDEZJCGLSA-N 2 1 290.838 3.257 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235273388 819059548 /nfs/dbraw/zinc/05/95/48/819059548.db2.gz SADUYBIIXDURDA-CZUORRHYSA-N 2 1 286.444 3.394 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235338473 819071157 /nfs/dbraw/zinc/07/11/57/819071157.db2.gz PEDFXONAYGIJGI-DOTOQJQBSA-N 2 1 294.442 3.485 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235423971 819093300 /nfs/dbraw/zinc/09/33/00/819093300.db2.gz HNDVQGKTRJRUCJ-RTBURBONSA-N 2 1 286.463 3.249 20 0 CGADMP C1=CC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001235422294 819093410 /nfs/dbraw/zinc/09/34/10/819093410.db2.gz BEVDNONKNSTQOP-BBWFWOEESA-N 2 1 262.441 3.054 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2[nH]1 ZINC001235421921 819093416 /nfs/dbraw/zinc/09/34/16/819093416.db2.gz CNTDOAJLOUETGB-IRXDYDNUSA-N 2 1 297.446 3.380 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429827 819094144 /nfs/dbraw/zinc/09/41/44/819094144.db2.gz ROHYSTOQCYUMDB-RBUKOAKNSA-N 2 1 286.463 3.461 20 0 CGADMP Cc1sccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428958 819094573 /nfs/dbraw/zinc/09/45/73/819094573.db2.gz SCAIJKMXODWACE-GDBMZVCRSA-N 2 1 278.465 3.268 20 0 CGADMP CN(C)c1ccc(-c2ccc(C[N@@H+](C)CCC[NH3+])cc2)cc1 ZINC001235440206 819099693 /nfs/dbraw/zinc/09/96/93/819099693.db2.gz HCFHQOGDEUXQDU-UHFFFAOYSA-N 2 1 297.446 3.200 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(C)c1OC(C)C ZINC001235673510 819133250 /nfs/dbraw/zinc/13/32/50/819133250.db2.gz BFWCZTJMWRAILE-MRXNPFEDSA-N 2 1 290.451 3.261 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001235674100 819135058 /nfs/dbraw/zinc/13/50/58/819135058.db2.gz LNPXMDISDXZYRF-AWEZNQCLSA-N 2 1 252.789 3.216 20 0 CGADMP Cc1ccccc1O[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC001235692518 819143887 /nfs/dbraw/zinc/14/38/87/819143887.db2.gz OULDFLBFGREGLO-KRWDZBQOSA-N 2 1 290.451 3.357 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)Cc1ccccc1F ZINC001235691239 819144161 /nfs/dbraw/zinc/14/41/61/819144161.db2.gz HNSYRAJZHVGNJX-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC001235715985 819150065 /nfs/dbraw/zinc/15/00/65/819150065.db2.gz ZRTCILVMAWMFOB-RDJZCZTQSA-N 2 1 264.457 3.300 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(F)c1F ZINC001235716951 819150463 /nfs/dbraw/zinc/15/04/63/819150463.db2.gz OOPYVLZMPJPRCA-UHFFFAOYSA-N 2 1 282.378 3.095 20 0 CGADMP Fc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001235715014 819150522 /nfs/dbraw/zinc/15/05/22/819150522.db2.gz NUAKVTQWQGAAQS-IRXDYDNUSA-N 2 1 276.399 3.495 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c2ccoc2ccc1F ZINC001235717730 819152090 /nfs/dbraw/zinc/15/20/90/819152090.db2.gz LECQQRICWBCRRV-UHFFFAOYSA-N 2 1 290.382 3.393 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235726088 819154643 /nfs/dbraw/zinc/15/46/43/819154643.db2.gz MQYQNMLKMWMJLC-CABCVRRESA-N 2 1 276.399 3.005 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235726248 819154958 /nfs/dbraw/zinc/15/49/58/819154958.db2.gz UZKMQDWHOVJXBO-KRWDZBQOSA-N 2 1 284.378 3.416 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235726248 819154963 /nfs/dbraw/zinc/15/49/63/819154963.db2.gz UZKMQDWHOVJXBO-KRWDZBQOSA-N 2 1 284.378 3.416 20 0 CGADMP CC[N@H+](CCC[NH2+]C1CCCCC1)Cc1cccnc1 ZINC001235726692 819155118 /nfs/dbraw/zinc/15/51/18/819155118.db2.gz VUYJHPBPVVXKMK-UHFFFAOYSA-N 2 1 275.440 3.216 20 0 CGADMP CC[N@@H+](CCC[NH2+]C1CCCCC1)Cc1cccnc1 ZINC001235726692 819155125 /nfs/dbraw/zinc/15/51/25/819155125.db2.gz VUYJHPBPVVXKMK-UHFFFAOYSA-N 2 1 275.440 3.216 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001235749108 819160373 /nfs/dbraw/zinc/16/03/73/819160373.db2.gz HIRKZYOMSFVRGM-RDJZCZTQSA-N 2 1 274.452 3.269 20 0 CGADMP CCc1cccc(C)c1C[N@H+](CC)C1CC[NH2+]CC1 ZINC001235764958 819163274 /nfs/dbraw/zinc/16/32/74/819163274.db2.gz ULKOOGJCGDZYKC-UHFFFAOYSA-N 2 1 260.425 3.131 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1c(Cl)cccc1Cl ZINC001235789784 819169653 /nfs/dbraw/zinc/16/96/53/819169653.db2.gz NUPMUKAVEZOJKG-UHFFFAOYSA-N 2 1 261.196 3.164 20 0 CGADMP C[N@H+](CCCC[NH3+])Cc1c(Cl)cccc1Cl ZINC001235789784 819169651 /nfs/dbraw/zinc/16/96/51/819169651.db2.gz NUPMUKAVEZOJKG-UHFFFAOYSA-N 2 1 261.196 3.164 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2c(C)cc(OC(C)C)cc2C)CC1 ZINC001235791653 819169313 /nfs/dbraw/zinc/16/93/13/819169313.db2.gz BKVGSNOYJAIKGD-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP C[N@H+](CCc1ccccc1Cl)CCC1CC[NH2+]CC1 ZINC001235839120 819181763 /nfs/dbraw/zinc/18/17/63/819181763.db2.gz KBZNTWWBTNUMHN-UHFFFAOYSA-N 2 1 280.843 3.204 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2CCCCC[NH3+])cc1 ZINC001235840456 819181947 /nfs/dbraw/zinc/18/19/47/819181947.db2.gz MUAUDXKMMQSBNE-KRWDZBQOSA-N 2 1 276.424 3.351 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925608 819224223 /nfs/dbraw/zinc/22/42/23/819224223.db2.gz XGRHJAWUHDINSC-INIZCTEOSA-N 2 1 276.424 3.179 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC001235925567 819224388 /nfs/dbraw/zinc/22/43/88/819224388.db2.gz VJBIYPGNASRYEA-KRWDZBQOSA-N 2 1 254.377 3.153 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929318 819227701 /nfs/dbraw/zinc/22/77/01/819227701.db2.gz LPJLBUJWTOPQEH-GVDBMIGSSA-N 2 1 296.499 3.149 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235933918 819230637 /nfs/dbraw/zinc/23/06/37/819230637.db2.gz AKDVUTNDUAZWKB-HKUYNNGSSA-N 2 1 292.426 3.395 20 0 CGADMP COCCC[N@@H+](C[C@H]1CCC(C)=C[C@H]1C)C1CC[NH2+]CC1 ZINC001235935931 819232452 /nfs/dbraw/zinc/23/24/52/819232452.db2.gz NAZCGLKQBDFGRK-IAGOWNOFSA-N 2 1 294.483 3.069 20 0 CGADMP FC1(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC001235949724 819240352 /nfs/dbraw/zinc/24/03/52/819240352.db2.gz GOMCUOFJUCLRTP-CQSZACIVSA-N 2 1 296.817 3.221 20 0 CGADMP C[N@@H+](Cc1cc2c(cccc2Cl)[nH]1)C[C@H]1CCC[NH2+]C1 ZINC001235950494 819241506 /nfs/dbraw/zinc/24/15/06/819241506.db2.gz ICJMWKPZSBUJHV-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1cc2c(cccc2Cl)[nH]1)C[C@H]1CCC[NH2+]C1 ZINC001235950494 819241510 /nfs/dbraw/zinc/24/15/10/819241510.db2.gz ICJMWKPZSBUJHV-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)CC1CCCC1 ZINC001235958070 819245250 /nfs/dbraw/zinc/24/52/50/819245250.db2.gz FAHJDARRGRHKPG-UHFFFAOYSA-N 2 1 297.446 3.367 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001235958244 819246248 /nfs/dbraw/zinc/24/62/48/819246248.db2.gz BNCKGHBWUPRCHF-BCDXTJNWSA-N 2 1 266.388 3.009 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cc2)o1 ZINC001235959773 819246770 /nfs/dbraw/zinc/24/67/70/819246770.db2.gz NVPQORLBZSWBAI-IZZQQSIFSA-N 2 1 296.414 3.424 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958894 819247905 /nfs/dbraw/zinc/24/79/05/819247905.db2.gz LLSXEJGVDUDDJV-NXOAAHMSSA-N 2 1 264.457 3.428 20 0 CGADMP c1ccc(C2=CC[N@@H+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC001235962473 819250940 /nfs/dbraw/zinc/25/09/40/819250940.db2.gz LCOHPDDIWSYHAE-UHFFFAOYSA-N 2 1 270.420 3.165 20 0 CGADMP CC[N@@H+](CCCCC[NH3+])Cc1cccc(Br)c1 ZINC001235962705 819251590 /nfs/dbraw/zinc/25/15/90/819251590.db2.gz PGYZVQSWZZUNFE-UHFFFAOYSA-N 2 1 299.256 3.400 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981845 819258738 /nfs/dbraw/zinc/25/87/38/819258738.db2.gz XSMKKVFZDCDQNB-YQQAZPJKSA-N 2 1 282.472 3.031 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235985002 819259249 /nfs/dbraw/zinc/25/92/49/819259249.db2.gz ARDMNDLKPNIZJP-WBVHZDCISA-N 2 1 284.428 3.338 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235985002 819259254 /nfs/dbraw/zinc/25/92/54/819259254.db2.gz ARDMNDLKPNIZJP-WBVHZDCISA-N 2 1 284.428 3.338 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981855 819259444 /nfs/dbraw/zinc/25/94/44/819259444.db2.gz XUXDRFZTTIGSIU-JYJNAYRXSA-N 2 1 250.430 3.182 20 0 CGADMP CCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236003815 819269501 /nfs/dbraw/zinc/26/95/01/819269501.db2.gz ADAAJWSFOZFQPC-MSOLQXFVSA-N 2 1 272.436 3.040 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236044977 819282235 /nfs/dbraw/zinc/28/22/35/819282235.db2.gz QVGUGYXDLJKLSG-FUHWJXTLSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236044977 819282240 /nfs/dbraw/zinc/28/22/40/819282240.db2.gz QVGUGYXDLJKLSG-FUHWJXTLSA-N 2 1 290.451 3.043 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060373 819294099 /nfs/dbraw/zinc/29/40/99/819294099.db2.gz OVWWSGKOXQPBBK-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060373 819294106 /nfs/dbraw/zinc/29/41/06/819294106.db2.gz OVWWSGKOXQPBBK-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC001236066383 819297772 /nfs/dbraw/zinc/29/77/72/819297772.db2.gz IHRRVLALEVKKIO-MRXNPFEDSA-N 2 1 274.452 3.416 20 0 CGADMP c1ccc2c(c1)oc1c2CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001236086607 819308118 /nfs/dbraw/zinc/30/81/18/819308118.db2.gz MKIIOATYKOXMBD-CQSZACIVSA-N 2 1 284.403 3.181 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC001236140324 819341352 /nfs/dbraw/zinc/34/13/52/819341352.db2.gz DHYCRGCZULHCBE-UHFFFAOYSA-N 2 1 298.430 3.436 20 0 CGADMP CCC[N@@H+](CCc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC001236180803 819360492 /nfs/dbraw/zinc/36/04/92/819360492.db2.gz OBUCLYAONIYCEQ-UHFFFAOYSA-N 2 1 298.833 3.486 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212382 819373569 /nfs/dbraw/zinc/37/35/69/819373569.db2.gz KPVSTWKVDBAKBY-GDBMZVCRSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212382 819373576 /nfs/dbraw/zinc/37/35/76/819373576.db2.gz KPVSTWKVDBAKBY-GDBMZVCRSA-N 2 1 275.371 3.009 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])sc1C ZINC001236212985 819374640 /nfs/dbraw/zinc/37/46/40/819374640.db2.gz AOYUEJTUOCACGN-UONOGXRCSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])sc1C ZINC001236212985 819374648 /nfs/dbraw/zinc/37/46/48/819374648.db2.gz AOYUEJTUOCACGN-UONOGXRCSA-N 2 1 252.427 3.067 20 0 CGADMP CCOc1ccc(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236212877 819374936 /nfs/dbraw/zinc/37/49/36/819374936.db2.gz AFORJJKVIYBXBR-IAGOWNOFSA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236212877 819374941 /nfs/dbraw/zinc/37/49/41/819374941.db2.gz AFORJJKVIYBXBR-IAGOWNOFSA-N 2 1 276.424 3.095 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])ccc2n1 ZINC001236214836 819378954 /nfs/dbraw/zinc/37/89/54/819378954.db2.gz FRKZZJRXTHAHIC-FUHWJXTLSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])ccc2n1 ZINC001236214836 819378963 /nfs/dbraw/zinc/37/89/63/819378963.db2.gz FRKZZJRXTHAHIC-FUHWJXTLSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236216169 819380086 /nfs/dbraw/zinc/38/00/86/819380086.db2.gz ILENKUQRBRCKAF-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236216169 819380094 /nfs/dbraw/zinc/38/00/94/819380094.db2.gz ILENKUQRBRCKAF-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP C[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218072 819384508 /nfs/dbraw/zinc/38/45/08/819384508.db2.gz RIRXAVFFSWVGFX-CABCVRRESA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218072 819384513 /nfs/dbraw/zinc/38/45/13/819384513.db2.gz RIRXAVFFSWVGFX-CABCVRRESA-N 2 1 275.371 3.009 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220173 819386245 /nfs/dbraw/zinc/38/62/45/819386245.db2.gz YLULBIQXZPUQCE-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220173 819386252 /nfs/dbraw/zinc/38/62/52/819386252.db2.gz YLULBIQXZPUQCE-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccn2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219131 819386889 /nfs/dbraw/zinc/38/68/89/819386889.db2.gz UZDXLUXFOGWXNS-HKUYNNGSSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccn2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219131 819386892 /nfs/dbraw/zinc/38/68/92/819386892.db2.gz UZDXLUXFOGWXNS-HKUYNNGSSA-N 2 1 295.430 3.450 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1C ZINC001236222859 819389987 /nfs/dbraw/zinc/38/99/87/819389987.db2.gz MPNDKFCYIFAAAK-WKILWMFISA-N 2 1 290.451 3.322 20 0 CGADMP c1ccc2c(c1)C[N@H+](CC[C@H]1CCCC[NH2+]1)CCS2 ZINC001236238587 819398055 /nfs/dbraw/zinc/39/80/55/819398055.db2.gz BVEXJSNZDBNEQF-OAHLLOKOSA-N 2 1 276.449 3.127 20 0 CGADMP c1ccc2c(c1)C[N@@H+](CC[C@H]1CCCC[NH2+]1)CCS2 ZINC001236238587 819398063 /nfs/dbraw/zinc/39/80/63/819398063.db2.gz BVEXJSNZDBNEQF-OAHLLOKOSA-N 2 1 276.449 3.127 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)CC1(F)CC[NH2+]CC1 ZINC001236239362 819399474 /nfs/dbraw/zinc/39/94/74/819399474.db2.gz DXYGOQJSKSPDOO-UHFFFAOYSA-N 2 1 278.415 3.217 20 0 CGADMP c1cc(-c2ccccc2)oc1C[NH+]1CCC[NH2+]CCC1 ZINC001236241296 819401061 /nfs/dbraw/zinc/40/10/61/819401061.db2.gz XTHBYZJARVWPCG-UHFFFAOYSA-N 2 1 270.376 3.132 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)CC1CC2(C1)CC[NH2+]CC2 ZINC001236266260 819410457 /nfs/dbraw/zinc/41/04/57/819410457.db2.gz OQLBYUHEKLMBRJ-UHFFFAOYSA-N 2 1 290.426 3.080 20 0 CGADMP c1ccc(C[N@@H+](CCC2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236268414 819411246 /nfs/dbraw/zinc/41/12/46/819411246.db2.gz CSGQDKVQNQTWRH-QGZVFWFLSA-N 2 1 258.409 3.041 20 0 CGADMP c1ccc(C[N@H+](CCC2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236268414 819411250 /nfs/dbraw/zinc/41/12/50/819411250.db2.gz CSGQDKVQNQTWRH-QGZVFWFLSA-N 2 1 258.409 3.041 20 0 CGADMP Clc1ccccc1CCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315229 819420926 /nfs/dbraw/zinc/42/09/26/819420926.db2.gz WTZFQUWTYXGYLF-IYBDPMFKSA-N 2 1 292.854 3.204 20 0 CGADMP CC(C)(CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001236314033 819421014 /nfs/dbraw/zinc/42/10/14/819421014.db2.gz GWUGSZJVEYEKRR-CALCHBBNSA-N 2 1 286.463 3.286 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372673 819441357 /nfs/dbraw/zinc/44/13/57/819441357.db2.gz SHUAMVFGVRUYEW-BSDSXHPESA-N 2 1 288.479 3.443 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372674 819441472 /nfs/dbraw/zinc/44/14/72/819441472.db2.gz SHUAMVFGVRUYEW-FJIDUMEYSA-N 2 1 288.479 3.443 20 0 CGADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236373357 819441738 /nfs/dbraw/zinc/44/17/38/819441738.db2.gz GOFIKPRBGAAVNW-AWEZNQCLSA-N 2 1 278.465 3.492 20 0 CGADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236373358 819442374 /nfs/dbraw/zinc/44/23/74/819442374.db2.gz GOFIKPRBGAAVNW-CQSZACIVSA-N 2 1 278.465 3.492 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC001236374801 819442831 /nfs/dbraw/zinc/44/28/31/819442831.db2.gz UEYNGEBKWIJMKC-OAHLLOKOSA-N 2 1 276.424 3.332 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400573 819450755 /nfs/dbraw/zinc/45/07/55/819450755.db2.gz FOZVBSMQLNMYPI-AWEZNQCLSA-N 2 1 278.415 3.426 20 0 CGADMP CC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236408768 819455870 /nfs/dbraw/zinc/45/58/70/819455870.db2.gz STRGUHOZNDFYNY-HZPDHXFCSA-N 2 1 264.457 3.300 20 0 CGADMP CCCc1ccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)s1 ZINC001236410432 819457387 /nfs/dbraw/zinc/45/73/87/819457387.db2.gz ZYYRZIRHXRYJOC-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)c2ccccc12 ZINC001236420826 819467134 /nfs/dbraw/zinc/46/71/34/819467134.db2.gz OLOUDXJNLGMPJV-RDTXWAMCSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)c2ccccc12 ZINC001236420826 819467138 /nfs/dbraw/zinc/46/71/38/819467138.db2.gz OLOUDXJNLGMPJV-RDTXWAMCSA-N 2 1 268.404 3.460 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1ccsc1)C1CC[NH2+]CC1 ZINC001236458065 819486711 /nfs/dbraw/zinc/48/67/11/819486711.db2.gz QQRNOTOZSDEZDH-UHFFFAOYSA-N 2 1 266.454 3.348 20 0 CGADMP Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236469858 819491453 /nfs/dbraw/zinc/49/14/53/819491453.db2.gz XWOOFJWONPQBMF-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236469858 819491460 /nfs/dbraw/zinc/49/14/60/819491460.db2.gz XWOOFJWONPQBMF-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1csc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236474258 819492717 /nfs/dbraw/zinc/49/27/17/819492717.db2.gz POUMUPHBMVPOBK-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP Cc1csc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236474258 819492721 /nfs/dbraw/zinc/49/27/21/819492721.db2.gz POUMUPHBMVPOBK-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP COc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1C ZINC001236477914 819494924 /nfs/dbraw/zinc/49/49/24/819494924.db2.gz UJEKEWARVZNDDG-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP COc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1C ZINC001236477914 819494926 /nfs/dbraw/zinc/49/49/26/819494926.db2.gz UJEKEWARVZNDDG-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP CC[C@@H](C)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541918 819529600 /nfs/dbraw/zinc/52/96/00/819529600.db2.gz OVVUXOXHYSYRJV-FVQBIDKESA-N 2 1 252.446 3.405 20 0 CGADMP Fc1ccccc1CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584764 819545967 /nfs/dbraw/zinc/54/59/67/819545967.db2.gz SSBCTGGRMHTZTI-OAHLLOKOSA-N 2 1 290.426 3.222 20 0 CGADMP c1cc2c(c(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c1)CCC2 ZINC001236606332 819550883 /nfs/dbraw/zinc/55/08/83/819550883.db2.gz TXRCUKIOFVZDPG-OAHLLOKOSA-N 2 1 284.447 3.139 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@@H]12 ZINC001236817194 819606107 /nfs/dbraw/zinc/60/61/07/819606107.db2.gz ACTWJFFASBTDQD-KBAYOESNSA-N 2 1 284.447 3.168 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236821700 819607383 /nfs/dbraw/zinc/60/73/83/819607383.db2.gz WCKXVRHWYRNUIC-LUKYLMHMSA-N 2 1 264.457 3.428 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]12 ZINC001236822137 819608439 /nfs/dbraw/zinc/60/84/39/819608439.db2.gz YHRGHCYZAPANLA-KZNAEPCWSA-N 2 1 272.436 3.069 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236821708 819608683 /nfs/dbraw/zinc/60/86/83/819608683.db2.gz WCKXVRHWYRNUIC-NXOAAHMSSA-N 2 1 264.457 3.428 20 0 CGADMP CCC[N@H+](Cc1c[nH]c2ccc(C)cc12)C[C@H]1CC[NH2+]C1 ZINC001236834207 819612917 /nfs/dbraw/zinc/61/29/17/819612917.db2.gz FJVDVCSPDUCGCX-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2)o1 ZINC001236833537 819613903 /nfs/dbraw/zinc/61/39/03/819613903.db2.gz YZAMUTVTJSVDMC-BZSNNMDCSA-N 2 1 296.414 3.424 20 0 CGADMP CCC[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835972 819614978 /nfs/dbraw/zinc/61/49/78/819614978.db2.gz RIPPNPTYLOXTIU-CQSZACIVSA-N 2 1 298.377 3.110 20 0 CGADMP CCC[N@H+](Cc1ccc2occc2c1)C[C@H]1CC[NH2+]C1 ZINC001236835647 819615476 /nfs/dbraw/zinc/61/54/76/819615476.db2.gz OIPSFLUICKEXKY-HNNXBMFYSA-N 2 1 272.392 3.254 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001237056368 819654067 /nfs/dbraw/zinc/65/40/67/819654067.db2.gz IMOSZQJCLKYIAB-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001237056368 819654070 /nfs/dbraw/zinc/65/40/70/819654070.db2.gz IMOSZQJCLKYIAB-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c2ccccc12 ZINC001237058729 819656806 /nfs/dbraw/zinc/65/68/06/819656806.db2.gz RPXCQSKPVUZLEX-LJQANCHMSA-N 2 1 298.430 3.409 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237079829 819662425 /nfs/dbraw/zinc/66/24/25/819662425.db2.gz BYDDMLFPPWYEHM-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237079829 819662428 /nfs/dbraw/zinc/66/24/28/819662428.db2.gz BYDDMLFPPWYEHM-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001237081238 819662556 /nfs/dbraw/zinc/66/25/56/819662556.db2.gz JQAVLJPGFXPPAA-KRWDZBQOSA-N 2 1 258.409 3.125 20 0 CGADMP CC(C)(C)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237277181 819715136 /nfs/dbraw/zinc/71/51/36/819715136.db2.gz WZEUQMSXQJZKDK-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP CC/C=C\CC[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237304395 819721278 /nfs/dbraw/zinc/72/12/78/819721278.db2.gz HYAGHCARPDTMSW-ARJAWSKDSA-N 2 1 270.420 3.437 20 0 CGADMP CC/C=C\CC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237304395 819721282 /nfs/dbraw/zinc/72/12/82/819721282.db2.gz HYAGHCARPDTMSW-ARJAWSKDSA-N 2 1 270.420 3.437 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c(C)cc(F)cc3C)C[C@@H]2C1 ZINC001237327152 819727777 /nfs/dbraw/zinc/72/77/77/819727777.db2.gz ZMHVHJJJRVLBCW-HOTGVXAUSA-N 2 1 290.426 3.216 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395570 819743265 /nfs/dbraw/zinc/74/32/65/819743265.db2.gz XSHCVXKPCBRTHK-ZBFHGGJFSA-N 2 1 270.376 3.007 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395570 819743267 /nfs/dbraw/zinc/74/32/67/819743267.db2.gz XSHCVXKPCBRTHK-ZBFHGGJFSA-N 2 1 270.376 3.007 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1C ZINC001237405758 819745898 /nfs/dbraw/zinc/74/58/98/819745898.db2.gz RSLXCGUKTSCETQ-WMZOPIPTSA-N 2 1 272.436 3.186 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237412121 819747613 /nfs/dbraw/zinc/74/76/13/819747613.db2.gz FYEJEYDVMHBBAQ-ROUUACIJSA-N 2 1 270.420 3.138 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC001238222681 819962813 /nfs/dbraw/zinc/96/28/13/819962813.db2.gz KJHSAFWTMOWHMF-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC001238222681 819962817 /nfs/dbraw/zinc/96/28/17/819962817.db2.gz KJHSAFWTMOWHMF-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC001238222681 819962819 /nfs/dbraw/zinc/96/28/19/819962819.db2.gz KJHSAFWTMOWHMF-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC001238222681 819962826 /nfs/dbraw/zinc/96/28/26/819962826.db2.gz KJHSAFWTMOWHMF-QGZVFWFLSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC001238222678 819963251 /nfs/dbraw/zinc/96/32/51/819963251.db2.gz KJHSAFWTMOWHMF-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC001238222678 819963258 /nfs/dbraw/zinc/96/32/58/819963258.db2.gz KJHSAFWTMOWHMF-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC001238222678 819963263 /nfs/dbraw/zinc/96/32/63/819963263.db2.gz KJHSAFWTMOWHMF-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC001238222678 819963270 /nfs/dbraw/zinc/96/32/70/819963270.db2.gz KJHSAFWTMOWHMF-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1cc(F)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001239740337 820562558 /nfs/dbraw/zinc/56/25/58/820562558.db2.gz XMYWVGMTDHEBHB-UHFFFAOYSA-N 2 1 281.334 3.136 20 0 CGADMP [NH3+]Cc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001240387699 821011050 /nfs/dbraw/zinc/01/10/50/821011050.db2.gz SUYGRIGFPRMKOR-UHFFFAOYSA-N 2 1 278.399 3.435 20 0 CGADMP [NH3+]CCc1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240387483 821012907 /nfs/dbraw/zinc/01/29/07/821012907.db2.gz SERIHIWBVYUHSF-UHFFFAOYSA-N 2 1 292.426 3.477 20 0 CGADMP Cc1ccc(-c2c[nH+]c(N(C)C)cc2C)c(C[NH+](C)C)c1 ZINC001241251947 821673794 /nfs/dbraw/zinc/67/37/94/821673794.db2.gz OOBKUHCCKJTMFF-UHFFFAOYSA-N 2 1 283.419 3.493 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2(C)CCCC2)C1 ZINC001474344719 937852735 /nfs/dbraw/zinc/85/27/35/937852735.db2.gz RRWOJDDBIFWULS-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP FC(F)(F)CCC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001343205547 936491243 /nfs/dbraw/zinc/49/12/43/936491243.db2.gz OGMYYUVLPULPJM-GFCCVEGCSA-N 2 1 278.362 3.326 20 0 CGADMP FC(F)(F)CCC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001343205547 936491245 /nfs/dbraw/zinc/49/12/45/936491245.db2.gz OGMYYUVLPULPJM-GFCCVEGCSA-N 2 1 278.362 3.326 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC001343497067 936503998 /nfs/dbraw/zinc/50/39/98/936503998.db2.gz UIZIMEYDFDXSLS-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccccc1OC1CCCC1 ZINC001345100363 936801476 /nfs/dbraw/zinc/80/14/76/936801476.db2.gz PVDDXFHQAQRKJG-CQSZACIVSA-N 2 1 276.424 3.096 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC001345945403 936830618 /nfs/dbraw/zinc/83/06/18/936830618.db2.gz UAIUWVBBUFSGTL-OLZOCXBDSA-N 2 1 260.372 3.027 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(F)c(OC)c1 ZINC001347235917 936874972 /nfs/dbraw/zinc/87/49/72/936874972.db2.gz UPEXKEOWHITXEQ-UHFFFAOYSA-N 2 1 296.430 3.388 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(F)c(OC)c1 ZINC001347235917 936874974 /nfs/dbraw/zinc/87/49/74/936874974.db2.gz UPEXKEOWHITXEQ-UHFFFAOYSA-N 2 1 296.430 3.388 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001349636501 936955482 /nfs/dbraw/zinc/95/54/82/936955482.db2.gz KPEORIARXBTAEY-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001354019883 937086485 /nfs/dbraw/zinc/08/64/85/937086485.db2.gz XIAVOVSAYFWVSL-HZPDHXFCSA-N 2 1 273.424 3.172 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001355240302 937131966 /nfs/dbraw/zinc/13/19/66/937131966.db2.gz ZGBFRKIAXXQZAE-XQQFMLRXSA-N 2 1 280.378 3.285 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001355240302 937131968 /nfs/dbraw/zinc/13/19/68/937131968.db2.gz ZGBFRKIAXXQZAE-XQQFMLRXSA-N 2 1 280.378 3.285 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(F)c1 ZINC001355372715 937138572 /nfs/dbraw/zinc/13/85/72/937138572.db2.gz FHHFTGLEWBREBX-USXIJHARSA-N 2 1 290.426 3.296 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+](C)CCC[NH+]1CCCC1)CC2 ZINC001172831181 928225575 /nfs/dbraw/zinc/22/55/75/928225575.db2.gz MYABCICUMTUXSV-LJQANCHMSA-N 2 1 286.463 3.270 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc[nH+]cc1C(F)(F)F ZINC001458415485 937461588 /nfs/dbraw/zinc/46/15/88/937461588.db2.gz PSDNJRTWMWNOBA-NSHDSACASA-N 2 1 289.345 3.055 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001460711037 937540885 /nfs/dbraw/zinc/54/08/85/937540885.db2.gz QPKPONGIVRVRSL-LSDHHAIUSA-N 2 1 299.393 3.492 20 0 CGADMP CN1C[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862769 937549893 /nfs/dbraw/zinc/54/98/93/937549893.db2.gz IKLWUDOCEZVFKF-DQYPLSBCSA-N 2 1 290.838 3.211 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862769 937549894 /nfs/dbraw/zinc/54/98/94/937549894.db2.gz IKLWUDOCEZVFKF-DQYPLSBCSA-N 2 1 290.838 3.211 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862769 937549900 /nfs/dbraw/zinc/54/99/00/937549900.db2.gz IKLWUDOCEZVFKF-DQYPLSBCSA-N 2 1 290.838 3.211 20 0 CGADMP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cs1 ZINC001461268976 937573621 /nfs/dbraw/zinc/57/36/21/937573621.db2.gz PQXYWIQRFXFFIC-UHFFFAOYSA-N 2 1 264.438 3.245 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001461424295 937580403 /nfs/dbraw/zinc/58/04/03/937580403.db2.gz NLAWIGMHLIVBPU-UMVBOHGHSA-N 2 1 261.413 3.062 20 0 CGADMP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1 ZINC001461830549 937600503 /nfs/dbraw/zinc/60/05/03/937600503.db2.gz PPCOXYFIXOLTMZ-CEXWTWQISA-N 2 1 286.463 3.315 20 0 CGADMP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc(C)n1 ZINC001462190778 937623606 /nfs/dbraw/zinc/62/36/06/937623606.db2.gz HDFPLLHKGRXMRR-UHFFFAOYSA-N 2 1 297.446 3.392 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001462289849 937630732 /nfs/dbraw/zinc/63/07/32/937630732.db2.gz BDWJUMYXFJTDFW-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001462289849 937630734 /nfs/dbraw/zinc/63/07/34/937630734.db2.gz BDWJUMYXFJTDFW-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC001462482739 937644936 /nfs/dbraw/zinc/64/49/36/937644936.db2.gz XRFVGFSYNUWEIH-KURKYZTESA-N 2 1 296.499 3.245 20 0 CGADMP CO[C@H](CC(C)C)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001308025043 933037745 /nfs/dbraw/zinc/03/77/45/933037745.db2.gz PECWZZOUISCICO-GOSISDBHSA-N 2 1 298.515 3.347 20 0 CGADMP C1CC1[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001308441992 933111069 /nfs/dbraw/zinc/11/10/69/933111069.db2.gz VWWYOBPQKZLHPE-HZMVEIRTSA-N 2 1 262.441 3.172 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748930 933169548 /nfs/dbraw/zinc/16/95/48/933169548.db2.gz XRAQPAUKYLZDFG-PMACEKPBSA-N 2 1 298.474 3.482 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748930 933169550 /nfs/dbraw/zinc/16/95/50/933169550.db2.gz XRAQPAUKYLZDFG-PMACEKPBSA-N 2 1 298.474 3.482 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748930 933169552 /nfs/dbraw/zinc/16/95/52/933169552.db2.gz XRAQPAUKYLZDFG-PMACEKPBSA-N 2 1 298.474 3.482 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(F)c1 ZINC001308748650 933170235 /nfs/dbraw/zinc/17/02/35/933170235.db2.gz VLYYNKHABBEERQ-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(F)c1 ZINC001308748650 933170237 /nfs/dbraw/zinc/17/02/37/933170237.db2.gz VLYYNKHABBEERQ-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(F)c1 ZINC001308748650 933170242 /nfs/dbraw/zinc/17/02/42/933170242.db2.gz VLYYNKHABBEERQ-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(F)c1 ZINC001308748650 933170243 /nfs/dbraw/zinc/17/02/43/933170243.db2.gz VLYYNKHABBEERQ-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455486 933878356 /nfs/dbraw/zinc/87/83/56/933878356.db2.gz WBGOWYIGVIIBGY-SJKOYZFVSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455486 933878362 /nfs/dbraw/zinc/87/83/62/933878362.db2.gz WBGOWYIGVIIBGY-SJKOYZFVSA-N 2 1 294.389 3.274 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC001322626366 934320494 /nfs/dbraw/zinc/32/04/94/934320494.db2.gz OMOKXFAZSYZWAA-HOAMVYINSA-N 2 1 274.399 3.273 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001323977315 934445137 /nfs/dbraw/zinc/44/51/37/934445137.db2.gz NWPYLLKMKPWEIU-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310607 934968825 /nfs/dbraw/zinc/96/88/25/934968825.db2.gz GNFPOVDRURMTGF-UHFFFAOYSA-N 2 1 286.463 3.393 20 0 CGADMP C[C@@H]([NH2+]CCCCOc1ccccc1)c1c[nH+]ccc1N ZINC001326459212 934980698 /nfs/dbraw/zinc/98/06/98/934980698.db2.gz MMPQGCCVXFXKCC-CQSZACIVSA-N 2 1 285.391 3.004 20 0 CGADMP C[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC001473676982 937816950 /nfs/dbraw/zinc/81/69/50/937816950.db2.gz AIFYNHSSCBXKJR-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP CCCc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC001327086351 935027071 /nfs/dbraw/zinc/02/70/71/935027071.db2.gz AHMNIASOCZBJHU-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC001329025135 935180658 /nfs/dbraw/zinc/18/06/58/935180658.db2.gz ZCBSEVFWXCALGO-IUODEOHRSA-N 2 1 296.842 3.450 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC001334032556 936079881 /nfs/dbraw/zinc/07/98/81/936079881.db2.gz KREUPLWUKBUVIS-YESZJQIVSA-N 2 1 294.483 3.331 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2nccc3ccccc32)CC1 ZINC001334368162 936099582 /nfs/dbraw/zinc/09/95/82/936099582.db2.gz SKUKFZJCPCIZIH-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001335584770 936153447 /nfs/dbraw/zinc/15/34/47/936153447.db2.gz YQQPHWRRKGEGAT-YXJHDRRASA-N 2 1 290.426 3.296 20 0 CGADMP c1ccc([C@]23CCCC[C@H]2C[N@H+]3CC23CC(C2)C[NH2+]3)cc1 ZINC001335948313 936168647 /nfs/dbraw/zinc/16/86/47/936168647.db2.gz FISXUDXTLKZFQB-VWPHEMMRSA-N 2 1 282.431 3.140 20 0 CGADMP c1ccc([C@]23CCCC[C@H]2C[N@@H+]3CC23CC(C2)C[NH2+]3)cc1 ZINC001335948313 936168650 /nfs/dbraw/zinc/16/86/50/936168650.db2.gz FISXUDXTLKZFQB-VWPHEMMRSA-N 2 1 282.431 3.140 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)c1ccccc1 ZINC001336889402 936225526 /nfs/dbraw/zinc/22/55/26/936225526.db2.gz SZVGPRSBUSFTEW-XGXHKWSGSA-N 2 1 286.463 3.452 20 0 CGADMP Cn1c[nH+]cc1C1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC001336896445 936225981 /nfs/dbraw/zinc/22/59/81/936225981.db2.gz BXHFUYFNYUIIJX-UHFFFAOYSA-N 2 1 282.391 3.077 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842809 937823744 /nfs/dbraw/zinc/82/37/44/937823744.db2.gz XFUQRPWVIJGAKT-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842809 937823746 /nfs/dbraw/zinc/82/37/46/937823746.db2.gz XFUQRPWVIJGAKT-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842809 937823748 /nfs/dbraw/zinc/82/37/48/937823748.db2.gz XFUQRPWVIJGAKT-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc2cccnc12 ZINC001473928008 937830634 /nfs/dbraw/zinc/83/06/34/937830634.db2.gz OMIZGKYSMWVVIV-OAHLLOKOSA-N 2 1 295.430 3.117 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001473957422 937832078 /nfs/dbraw/zinc/83/20/78/937832078.db2.gz OOTIEEDFFQLJEB-YESZJQIVSA-N 2 1 296.499 3.434 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001473957422 937832080 /nfs/dbraw/zinc/83/20/80/937832080.db2.gz OOTIEEDFFQLJEB-YESZJQIVSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC001473964590 937832709 /nfs/dbraw/zinc/83/27/09/937832709.db2.gz FQNWYURVPFONPO-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001473986533 937833781 /nfs/dbraw/zinc/83/37/81/937833781.db2.gz GLKFTFNKKNFHHP-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC001473989259 937834336 /nfs/dbraw/zinc/83/43/36/937834336.db2.gz YOHDOPVOQWLVCN-HNNXBMFYSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC001473989259 937834338 /nfs/dbraw/zinc/83/43/38/937834338.db2.gz YOHDOPVOQWLVCN-HNNXBMFYSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC001473989259 937834340 /nfs/dbraw/zinc/83/43/40/937834340.db2.gz YOHDOPVOQWLVCN-HNNXBMFYSA-N 2 1 278.415 3.344 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC001474302841 937849762 /nfs/dbraw/zinc/84/97/62/937849762.db2.gz IEDCRDMLYKIBOK-ZOWXZIJZSA-N 2 1 299.245 3.423 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317658 937850956 /nfs/dbraw/zinc/85/09/56/937850956.db2.gz IWKJPHRYHUMKPY-CRAIPNDOSA-N 2 1 299.462 3.340 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317658 937850958 /nfs/dbraw/zinc/85/09/58/937850958.db2.gz IWKJPHRYHUMKPY-CRAIPNDOSA-N 2 1 299.462 3.340 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317658 937850960 /nfs/dbraw/zinc/85/09/60/937850960.db2.gz IWKJPHRYHUMKPY-CRAIPNDOSA-N 2 1 299.462 3.340 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317658 937850962 /nfs/dbraw/zinc/85/09/62/937850962.db2.gz IWKJPHRYHUMKPY-CRAIPNDOSA-N 2 1 299.462 3.340 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC001474437301 937859865 /nfs/dbraw/zinc/85/98/65/937859865.db2.gz WQZDMLGUQUYFTC-GXTWGEPZSA-N 2 1 292.389 3.381 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC001474451337 937860439 /nfs/dbraw/zinc/86/04/39/937860439.db2.gz BXZJRDIIFGJDFU-TZMCWYRMSA-N 2 1 292.389 3.381 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001474552940 937866519 /nfs/dbraw/zinc/86/65/19/937866519.db2.gz FCLVYMUBKJPAMP-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001474552940 937866521 /nfs/dbraw/zinc/86/65/21/937866521.db2.gz FCLVYMUBKJPAMP-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP C([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001474644867 937872243 /nfs/dbraw/zinc/87/22/43/937872243.db2.gz DMTLPOWBTLVBIA-XSLAGTTESA-N 2 1 276.468 3.277 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001549037748 938154680 /nfs/dbraw/zinc/15/46/80/938154680.db2.gz ZZJIKRRPIHBWQB-OKYOBFRVSA-N 2 1 286.463 3.356 20 0 CGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](C/C=C\c1ccc(F)cc1F)C2 ZINC001549088006 938154998 /nfs/dbraw/zinc/15/49/98/938154998.db2.gz CHEREDORVIOZPX-MKXCZPOJSA-N 2 1 292.373 3.039 20 0 CGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](C/C=C\c1ccc(F)cc1F)C2 ZINC001549088006 938154999 /nfs/dbraw/zinc/15/49/99/938154999.db2.gz CHEREDORVIOZPX-MKXCZPOJSA-N 2 1 292.373 3.039 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129719 938163059 /nfs/dbraw/zinc/16/30/59/938163059.db2.gz VLUMOIDXUWKFQE-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129719 938163060 /nfs/dbraw/zinc/16/30/60/938163060.db2.gz VLUMOIDXUWKFQE-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129719 938163061 /nfs/dbraw/zinc/16/30/61/938163061.db2.gz VLUMOIDXUWKFQE-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550541513 938167741 /nfs/dbraw/zinc/16/77/41/938167741.db2.gz YJAMCLYGSXLFBE-XBFCOCLRSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550541513 938167742 /nfs/dbraw/zinc/16/77/42/938167742.db2.gz YJAMCLYGSXLFBE-XBFCOCLRSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550541513 938167743 /nfs/dbraw/zinc/16/77/43/938167743.db2.gz YJAMCLYGSXLFBE-XBFCOCLRSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550541513 938167744 /nfs/dbraw/zinc/16/77/44/938167744.db2.gz YJAMCLYGSXLFBE-XBFCOCLRSA-N 2 1 296.817 3.424 20 0 CGADMP CC(C)[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552080902 938189991 /nfs/dbraw/zinc/18/99/91/938189991.db2.gz ZVYACOGTVQWDIC-ZJPYXAASSA-N 2 1 272.436 3.361 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001559524534 938228514 /nfs/dbraw/zinc/22/85/14/938228514.db2.gz HSUFKWFKNCXWQB-HUUCEWRRSA-N 2 1 254.462 3.473 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[Si](C)(C)C ZINC001560042872 938242605 /nfs/dbraw/zinc/24/26/05/938242605.db2.gz DAQKHYUDQGMUCR-UHFFFAOYSA-N 2 1 278.516 3.448 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001560289108 938251349 /nfs/dbraw/zinc/25/13/49/938251349.db2.gz VGRLVKVDGMUSEP-QXDIGNSFSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)(C)[NH2+]CC[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001575140797 962353481 /nfs/dbraw/zinc/35/34/81/962353481.db2.gz JGELZXOUZBDAIE-ZACQAIPSSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)(C)[NH2+]CC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001575140797 962353498 /nfs/dbraw/zinc/35/34/98/962353498.db2.gz JGELZXOUZBDAIE-ZACQAIPSSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(C2CCC2)CC1 ZINC001575544171 962390806 /nfs/dbraw/zinc/39/08/06/962390806.db2.gz GFZPNOXUMMQZLW-UYSNPLJNSA-N 2 1 252.446 3.308 20 0 CGADMP CC(C)[C@@H]1[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC12CCCC2 ZINC001575521897 962391290 /nfs/dbraw/zinc/39/12/90/962391290.db2.gz VSNHBRIDVMVNQO-HOTGVXAUSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC001575593121 962396077 /nfs/dbraw/zinc/39/60/77/962396077.db2.gz GWEMTDAYJQCVNW-OAHLLOKOSA-N 2 1 278.415 3.283 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC001575859783 962422272 /nfs/dbraw/zinc/42/22/72/962422272.db2.gz OVAFETRPUZUBDS-KDOFPFPSSA-N 2 1 272.436 3.024 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001575912800 962423851 /nfs/dbraw/zinc/42/38/51/962423851.db2.gz QSBYQSQCCXDDFO-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(C)C)C[NH2+]1 ZINC001576671327 962486110 /nfs/dbraw/zinc/48/61/10/962486110.db2.gz YELJWBUGABJSNS-ORQFMDKSSA-N 2 1 272.436 3.156 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC001576747431 962488611 /nfs/dbraw/zinc/48/86/11/962488611.db2.gz ADCUXFXIICUEIH-QVOYLKQSSA-N 2 1 294.483 3.233 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]([NH3+])CC(F)F ZINC001576759610 962489176 /nfs/dbraw/zinc/48/91/76/962489176.db2.gz ZCZXEVHHERLAKF-IQMDTDKHSA-N 2 1 286.341 3.021 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)Cc1ccccc1 ZINC001576850314 962491708 /nfs/dbraw/zinc/49/17/08/962491708.db2.gz RYLPJNMDJFHDRN-CGTJXYLNSA-N 2 1 274.452 3.089 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C[C@@H]1C[NH3+] ZINC001576731206 962495804 /nfs/dbraw/zinc/49/58/04/962495804.db2.gz GMKDOSOAKFYMKK-NEPJUHHUSA-N 2 1 290.432 3.024 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC001577375382 962534693 /nfs/dbraw/zinc/53/46/93/962534693.db2.gz YFIHPLDSIVSMGP-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+](c1ccc(NCC2CC[NH2+]CC2)cc1)C(C)C ZINC001577745698 962563039 /nfs/dbraw/zinc/56/30/39/962563039.db2.gz PCLDSAAPERWCBB-UHFFFAOYSA-N 2 1 275.440 3.333 20 0 CGADMP CC[N@@H+](Cc1ccc2ccccc2c1)CC1(C[NH3+])CC1 ZINC001577738242 962567339 /nfs/dbraw/zinc/56/73/39/962567339.db2.gz QGACIINDEBXDHN-UHFFFAOYSA-N 2 1 268.404 3.401 20 0 CGADMP CCOc1ccc2c(c1)C[N@H+](Cc1ccc(C[NH3+])cc1)CC2 ZINC001578189866 962576531 /nfs/dbraw/zinc/57/65/31/962576531.db2.gz XVCCUWNZLVRGSS-UHFFFAOYSA-N 2 1 296.414 3.102 20 0 CGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c2ccccc12 ZINC001579216383 962612732 /nfs/dbraw/zinc/61/27/32/962612732.db2.gz REDLBKYTQCPXEV-OAHLLOKOSA-N 2 1 286.419 3.311 20 0 CGADMP COc1cccc2c(C[N@H+]3CC[C@H](CC[NH3+])C3)cccc12 ZINC001579288726 962617597 /nfs/dbraw/zinc/61/75/97/962617597.db2.gz UVIQXZSAQAVKFU-AWEZNQCLSA-N 2 1 284.403 3.019 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001579395805 962626142 /nfs/dbraw/zinc/62/61/42/962626142.db2.gz OTRGDDLDTJRMJP-PXWWUCIGSA-N 2 1 286.341 3.067 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C ZINC001579754881 962669780 /nfs/dbraw/zinc/66/97/80/962669780.db2.gz LTEJFDJFCIRXIR-DOTOQJQBSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1[nH+]c(NCC2(C[NH3+])CC2)ccc1-c1ccccc1 ZINC001579865377 962676966 /nfs/dbraw/zinc/67/69/66/962676966.db2.gz RLWFMXHROCUFBL-UHFFFAOYSA-N 2 1 267.376 3.208 20 0 CGADMP Cc1scc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1C ZINC001579936898 962679180 /nfs/dbraw/zinc/67/91/80/962679180.db2.gz CYMWXFWXPINNSM-IAQYHMDHSA-N 2 1 266.454 3.314 20 0 CGADMP FC(F)n1cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580024551 962685465 /nfs/dbraw/zinc/68/54/65/962685465.db2.gz ZZPNGLPMRPWIRJ-UONOGXRCSA-N 2 1 297.393 3.095 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC2CCC2)C1)C1CCCC1 ZINC001580126697 962694369 /nfs/dbraw/zinc/69/43/69/962694369.db2.gz HYBWIFIKYLGJRA-NVXWUHKLSA-N 2 1 264.457 3.406 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCOc1cccc3ccccc31)C2 ZINC001580157557 962696672 /nfs/dbraw/zinc/69/66/72/962696672.db2.gz JYXPLQLIARYDMO-QFBILLFUSA-N 2 1 296.414 3.032 20 0 CGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCOc1cccc3ccccc31)C2 ZINC001580157557 962696693 /nfs/dbraw/zinc/69/66/93/962696693.db2.gz JYXPLQLIARYDMO-QFBILLFUSA-N 2 1 296.414 3.032 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)C1CCCC1 ZINC001580229441 962705813 /nfs/dbraw/zinc/70/58/13/962705813.db2.gz OEFHCKZLIBDAQT-BDVYOWHSSA-N 2 1 276.399 3.179 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001580266008 962706967 /nfs/dbraw/zinc/70/69/67/962706967.db2.gz WDDGVFOUDSOOGN-CQSZACIVSA-N 2 1 270.420 3.222 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CCC1 ZINC001580244467 962708062 /nfs/dbraw/zinc/70/80/62/962708062.db2.gz YAIWBTLCZPNJIF-OAHLLOKOSA-N 2 1 262.372 3.092 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]2C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001580892999 962744748 /nfs/dbraw/zinc/74/47/48/962744748.db2.gz OXVODDQLZFCULN-KURKYZTESA-N 2 1 272.436 3.302 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261529 349484272 /nfs/dbraw/zinc/48/42/72/349484272.db2.gz TYZSGHOECQLINT-IUODEOHRSA-N 2 1 281.831 3.040 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000621330003 349498361 /nfs/dbraw/zinc/49/83/61/349498361.db2.gz WDGPQHYAKDQQPY-ZIAGYGMSSA-N 2 1 278.465 3.417 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000621337586 349499876 /nfs/dbraw/zinc/49/98/76/349499876.db2.gz DAAPVLSANMZJQI-CHWSQXEVSA-N 2 1 266.454 3.273 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000621337586 349499879 /nfs/dbraw/zinc/49/98/79/349499879.db2.gz DAAPVLSANMZJQI-CHWSQXEVSA-N 2 1 266.454 3.273 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCSC1CCCCC1 ZINC000337476383 214106839 /nfs/dbraw/zinc/10/68/39/214106839.db2.gz SHRICIPSIOLPSQ-UHFFFAOYSA-N 2 1 284.513 3.470 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCSC1CCCCC1 ZINC000337476383 214106841 /nfs/dbraw/zinc/10/68/41/214106841.db2.gz SHRICIPSIOLPSQ-UHFFFAOYSA-N 2 1 284.513 3.470 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000337495360 214119216 /nfs/dbraw/zinc/11/92/16/214119216.db2.gz DPKCSDOSPQOGGW-OAHLLOKOSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000337495360 214119220 /nfs/dbraw/zinc/11/92/20/214119220.db2.gz DPKCSDOSPQOGGW-OAHLLOKOSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000337495360 214119223 /nfs/dbraw/zinc/11/92/23/214119223.db2.gz DPKCSDOSPQOGGW-OAHLLOKOSA-N 2 1 290.451 3.031 20 0 CGADMP CC[N@@H+](CCOC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999407 346820780 /nfs/dbraw/zinc/82/07/80/346820780.db2.gz GGGPMFFXIKWEKS-UHFFFAOYSA-N 2 1 292.467 3.385 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651730382 398277415 /nfs/dbraw/zinc/27/74/15/398277415.db2.gz JLAFQBUGIDNYFC-AEFFLSMTSA-N 2 1 296.499 3.434 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000622004461 349620716 /nfs/dbraw/zinc/62/07/16/349620716.db2.gz PDQIUTJDGGGFNC-MOPGFXCFSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000622004461 349620719 /nfs/dbraw/zinc/62/07/19/349620719.db2.gz PDQIUTJDGGGFNC-MOPGFXCFSA-N 2 1 293.414 3.062 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c2ccccc12 ZINC000622004882 349621210 /nfs/dbraw/zinc/62/12/10/349621210.db2.gz WASAOIOPPDINSL-KXBFYZLASA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c2ccccc12 ZINC000622004882 349621212 /nfs/dbraw/zinc/62/12/12/349621212.db2.gz WASAOIOPPDINSL-KXBFYZLASA-N 2 1 296.414 3.162 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000651811586 398290846 /nfs/dbraw/zinc/29/08/46/398290846.db2.gz TZKUWHFDACEENS-WMLDXEAASA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000651811586 398290847 /nfs/dbraw/zinc/29/08/47/398290847.db2.gz TZKUWHFDACEENS-WMLDXEAASA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000651811586 398290848 /nfs/dbraw/zinc/29/08/48/398290848.db2.gz TZKUWHFDACEENS-WMLDXEAASA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000651811586 398290849 /nfs/dbraw/zinc/29/08/49/398290849.db2.gz TZKUWHFDACEENS-WMLDXEAASA-N 2 1 260.425 3.021 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cc(C)c1O ZINC000651865240 398298073 /nfs/dbraw/zinc/29/80/73/398298073.db2.gz RJTWCBWDOMQTND-UHFFFAOYSA-N 2 1 278.440 3.077 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000651865000 398298121 /nfs/dbraw/zinc/29/81/21/398298121.db2.gz KOTSJSABYVCZCI-RCCFBDPRSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000651864692 398298146 /nfs/dbraw/zinc/29/81/46/398298146.db2.gz AQTYNEUSVADBMN-INIZCTEOSA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000651864692 398298147 /nfs/dbraw/zinc/29/81/47/398298147.db2.gz AQTYNEUSVADBMN-INIZCTEOSA-N 2 1 275.440 3.027 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[C@@H](C)C1 ZINC000449764761 290019098 /nfs/dbraw/zinc/01/90/98/290019098.db2.gz DKSPGAWKLOCEAF-DRRXZNNHSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000338012922 214359595 /nfs/dbraw/zinc/35/95/95/214359595.db2.gz BUYAHDRARRHNSI-HOTGVXAUSA-N 2 1 293.455 3.011 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000338012919 214360335 /nfs/dbraw/zinc/36/03/35/214360335.db2.gz BUYAHDRARRHNSI-CVEARBPZSA-N 2 1 293.455 3.011 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000338017721 214362124 /nfs/dbraw/zinc/36/21/24/214362124.db2.gz PINDKWIXIGBKCZ-QGZVFWFLSA-N 2 1 287.382 3.388 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000337998563 214354065 /nfs/dbraw/zinc/35/40/65/214354065.db2.gz VHJPXHONXXYBJJ-OIISXLGYSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000338020407 214364755 /nfs/dbraw/zinc/36/47/55/214364755.db2.gz YUXYKBKOSAIIID-HNNXBMFYSA-N 2 1 275.421 3.384 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000338020409 214365099 /nfs/dbraw/zinc/36/50/99/214365099.db2.gz YUXYKBKOSAIIID-OAHLLOKOSA-N 2 1 275.421 3.384 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473167 529453744 /nfs/dbraw/zinc/45/37/44/529453744.db2.gz QOMGZYXLOOQDLT-KBPBESRZSA-N 2 1 252.789 3.118 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000271646465 282209747 /nfs/dbraw/zinc/20/97/47/282209747.db2.gz FJZMNNIUMSXJKJ-QGZVFWFLSA-N 2 1 269.392 3.241 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000268830907 282209784 /nfs/dbraw/zinc/20/97/84/282209784.db2.gz SGGRSRRFQGBIKU-SJCJKPOMSA-N 2 1 287.382 3.244 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C12CCCC2 ZINC000623436030 349808528 /nfs/dbraw/zinc/80/85/28/349808528.db2.gz ANAYAIYNQRCKIS-ARFHVFGLSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000133064766 136390037 /nfs/dbraw/zinc/39/00/37/136390037.db2.gz OGMXKFAADWEHNA-UHFFFAOYSA-N 2 1 275.440 3.285 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000414178761 529721752 /nfs/dbraw/zinc/72/17/52/529721752.db2.gz JREGQVLNLFLBOC-LBPRGKRZSA-N 2 1 269.348 3.341 20 0 CGADMP CCCCOC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351334504 219091784 /nfs/dbraw/zinc/09/17/84/219091784.db2.gz WMKNXFUMEXKQCX-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP CCc1cnccc1[C@@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623482889 349817651 /nfs/dbraw/zinc/81/76/51/349817651.db2.gz KVDPMTYGZPSZGL-UKRRQHHQSA-N 2 1 275.440 3.167 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623482889 349817658 /nfs/dbraw/zinc/81/76/58/349817658.db2.gz KVDPMTYGZPSZGL-UKRRQHHQSA-N 2 1 275.440 3.167 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)CC1(C)C ZINC000623508173 349823614 /nfs/dbraw/zinc/82/36/14/349823614.db2.gz LMQCYRWKOYQJPI-CQSZACIVSA-N 2 1 250.430 3.172 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)C[C@H]12 ZINC000351473283 219098736 /nfs/dbraw/zinc/09/87/36/219098736.db2.gz DHAKJGDQBBOPRL-BYCMXARLSA-N 2 1 296.867 3.101 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295064096 199327077 /nfs/dbraw/zinc/32/70/77/199327077.db2.gz QLOJJSZZGQNUML-COSYGPSOSA-N 2 1 272.436 3.393 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000623654495 349857023 /nfs/dbraw/zinc/85/70/23/349857023.db2.gz BAGLAULOJDNYIU-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000623654495 349857025 /nfs/dbraw/zinc/85/70/25/349857025.db2.gz BAGLAULOJDNYIU-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP CSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592362226 346978941 /nfs/dbraw/zinc/97/89/41/346978941.db2.gz OWZFXTTVVCPMDN-MRXNPFEDSA-N 2 1 290.476 3.136 20 0 CGADMP CSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592362226 346978943 /nfs/dbraw/zinc/97/89/43/346978943.db2.gz OWZFXTTVVCPMDN-MRXNPFEDSA-N 2 1 290.476 3.136 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000127216329 187290628 /nfs/dbraw/zinc/29/06/28/187290628.db2.gz OCUUHTXLQMWBNC-NVXWUHKLSA-N 2 1 272.436 3.038 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000369705163 530051212 /nfs/dbraw/zinc/05/12/12/530051212.db2.gz VLOATTPLPUHAQC-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)c(C)c1 ZINC000044527668 345012152 /nfs/dbraw/zinc/01/21/52/345012152.db2.gz QRRSULBZKRZEJD-JKSUJKDBSA-N 2 1 260.425 3.344 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534875 345013445 /nfs/dbraw/zinc/01/34/45/345013445.db2.gz YMHFVIBZFIBHSO-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000057969892 345191604 /nfs/dbraw/zinc/19/16/04/345191604.db2.gz IEXPGMSTUJSCNT-CQSZACIVSA-N 2 1 298.377 3.108 20 0 CGADMP CC/C=C/C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000295105544 199346962 /nfs/dbraw/zinc/34/69/62/199346962.db2.gz VNKXWPNZURBZRG-XVNBXDOJSA-N 2 1 272.436 3.249 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000123926756 232187692 /nfs/dbraw/zinc/18/76/92/232187692.db2.gz CWKDAXWMLQMVLU-NVXWUHKLSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000123926756 232187694 /nfs/dbraw/zinc/18/76/94/232187694.db2.gz CWKDAXWMLQMVLU-NVXWUHKLSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c2ccccc2n1 ZINC000123926756 232187697 /nfs/dbraw/zinc/18/76/97/232187697.db2.gz CWKDAXWMLQMVLU-NVXWUHKLSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c2ccccc2n1 ZINC000123926756 232187700 /nfs/dbraw/zinc/18/77/00/232187700.db2.gz CWKDAXWMLQMVLU-NVXWUHKLSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2nccs2)CCCC1 ZINC000127445380 187306971 /nfs/dbraw/zinc/30/69/71/187306971.db2.gz PLZIAQDBJAYGIB-UHFFFAOYSA-N 2 1 290.436 3.097 20 0 CGADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000086252203 345749035 /nfs/dbraw/zinc/74/90/35/345749035.db2.gz WLGJHLAJKMFZJY-GOSISDBHSA-N 2 1 283.419 3.017 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccnc2)C(C)C)C1 ZINC000091305990 345810592 /nfs/dbraw/zinc/81/05/92/345810592.db2.gz KUMIYBWLRBKRKV-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000092043643 345828356 /nfs/dbraw/zinc/82/83/56/345828356.db2.gz ZMULASFDFLGXCF-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000092043643 345828357 /nfs/dbraw/zinc/82/83/57/345828357.db2.gz ZMULASFDFLGXCF-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000092043643 345828358 /nfs/dbraw/zinc/82/83/58/345828358.db2.gz ZMULASFDFLGXCF-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000092043643 345828359 /nfs/dbraw/zinc/82/83/59/345828359.db2.gz ZMULASFDFLGXCF-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP C[NH+](C)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000131173593 346063087 /nfs/dbraw/zinc/06/30/87/346063087.db2.gz YCEHJFMVIRJRAQ-UHFFFAOYSA-N 2 1 292.492 3.336 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000178136278 232381875 /nfs/dbraw/zinc/38/18/75/232381875.db2.gz VCFPGGQTBADALW-FLNGQWPJSA-N 2 1 258.409 3.018 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000161630905 346176405 /nfs/dbraw/zinc/17/64/05/346176405.db2.gz XRJHMYIXVUEALR-MRXNPFEDSA-N 2 1 289.467 3.108 20 0 CGADMP C([C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCCC1 ZINC000170695346 346196991 /nfs/dbraw/zinc/19/69/91/346196991.db2.gz RHEWBOWDEKIEMJ-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+](CCOc1ccc(F)cc1)CC[C@H]1CCCC[NH+]1C ZINC000351691116 219176254 /nfs/dbraw/zinc/17/62/54/219176254.db2.gz IBQMSPFANHGQBT-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP C[N@@H+](CCOc1ccc(F)cc1)CC[C@H]1CCCC[NH+]1C ZINC000351691116 219176258 /nfs/dbraw/zinc/17/62/58/219176258.db2.gz IBQMSPFANHGQBT-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1ccc(F)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000351691116 219176261 /nfs/dbraw/zinc/17/62/61/219176261.db2.gz IBQMSPFANHGQBT-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1ccc(F)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000351691116 219176264 /nfs/dbraw/zinc/17/62/64/219176264.db2.gz IBQMSPFANHGQBT-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351694983 219177592 /nfs/dbraw/zinc/17/75/92/219177592.db2.gz VSPMAQZNZIFFDX-CVEARBPZSA-N 2 1 284.513 3.468 20 0 CGADMP CCS[C@H]1CCCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351694983 219177595 /nfs/dbraw/zinc/17/75/95/219177595.db2.gz VSPMAQZNZIFFDX-CVEARBPZSA-N 2 1 284.513 3.468 20 0 CGADMP CCS[C@H]1CCCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351694983 219177597 /nfs/dbraw/zinc/17/75/97/219177597.db2.gz VSPMAQZNZIFFDX-CVEARBPZSA-N 2 1 284.513 3.468 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000232645710 346327262 /nfs/dbraw/zinc/32/72/62/346327262.db2.gz JCOPIRIGBYFUHA-XIRDDKMYSA-N 2 1 264.457 3.299 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000231746736 346324034 /nfs/dbraw/zinc/32/40/34/346324034.db2.gz CBTJMOUUGPPLKZ-CQSZACIVSA-N 2 1 280.843 3.468 20 0 CGADMP C[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000246830858 346365092 /nfs/dbraw/zinc/36/50/92/346365092.db2.gz BVLBMMOUOUHEPQ-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCCC1 ZINC000408510532 346604491 /nfs/dbraw/zinc/60/44/91/346604491.db2.gz RLFFNVIBEIQBJH-ZNMIVQPWSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595020986 347259516 /nfs/dbraw/zinc/25/95/16/347259516.db2.gz BSHPQIWHPVZWNM-CABCVRRESA-N 2 1 290.492 3.035 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624119760 349976164 /nfs/dbraw/zinc/97/61/64/349976164.db2.gz JAAAWWYJNSETDK-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000351866374 219231687 /nfs/dbraw/zinc/23/16/87/219231687.db2.gz SFLBSCYTSACWKV-HUUCEWRRSA-N 2 1 297.402 3.043 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120952 349978985 /nfs/dbraw/zinc/97/89/85/349978985.db2.gz KQBYRZFKEQABIZ-KBPBESRZSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624121372 349979057 /nfs/dbraw/zinc/97/90/57/349979057.db2.gz UVYPJTMTQROROV-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624120778 349978542 /nfs/dbraw/zinc/97/85/42/349978542.db2.gz GVIZGTNBWLCKDY-TZMCWYRMSA-N 2 1 295.496 3.396 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCC1 ZINC000624123025 349981222 /nfs/dbraw/zinc/98/12/22/349981222.db2.gz DKABVFPDIXUALX-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000624122193 349980283 /nfs/dbraw/zinc/98/02/83/349980283.db2.gz MAZRJTKKQDWAJF-CVEARBPZSA-N 2 1 289.467 3.135 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nccc2ccccc21 ZINC000607167366 348227286 /nfs/dbraw/zinc/22/72/86/348227286.db2.gz LJKWUVHJEGHARN-CQSZACIVSA-N 2 1 294.402 3.166 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123468 349983268 /nfs/dbraw/zinc/98/32/68/349983268.db2.gz MHWOIUAJFORCCD-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@@H](C)[NH+](C/C=C\C[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000607155681 348226014 /nfs/dbraw/zinc/22/60/14/348226014.db2.gz YGIXCULNXGPMPI-GKEZSVGLSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](C/C=C\C[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000607155681 348226018 /nfs/dbraw/zinc/22/60/18/348226018.db2.gz YGIXCULNXGPMPI-GKEZSVGLSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](C/C=C\C[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000607155681 348226021 /nfs/dbraw/zinc/22/60/21/348226021.db2.gz YGIXCULNXGPMPI-GKEZSVGLSA-N 2 1 250.430 3.003 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000624123218 349982635 /nfs/dbraw/zinc/98/26/35/349982635.db2.gz IEAVBGNIEHHVEY-WMLDXEAASA-N 2 1 288.435 3.091 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339430766 215165376 /nfs/dbraw/zinc/16/53/76/215165376.db2.gz MUBUKWLSGUZKDB-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339430766 215165378 /nfs/dbraw/zinc/16/53/78/215165378.db2.gz MUBUKWLSGUZKDB-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339430766 215165380 /nfs/dbraw/zinc/16/53/80/215165380.db2.gz MUBUKWLSGUZKDB-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339436277 215170147 /nfs/dbraw/zinc/17/01/47/215170147.db2.gz GHNKYHYRBXBCGX-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339436277 215170148 /nfs/dbraw/zinc/17/01/48/215170148.db2.gz GHNKYHYRBXBCGX-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339436277 215170151 /nfs/dbraw/zinc/17/01/51/215170151.db2.gz GHNKYHYRBXBCGX-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339499384 215211819 /nfs/dbraw/zinc/21/18/19/215211819.db2.gz WPSOTYQOCJTHTF-ZOBUZTSGSA-N 2 1 278.415 3.377 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339499384 215211821 /nfs/dbraw/zinc/21/18/21/215211821.db2.gz WPSOTYQOCJTHTF-ZOBUZTSGSA-N 2 1 278.415 3.377 20 0 CGADMP CCCc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000613266550 348582720 /nfs/dbraw/zinc/58/27/20/348582720.db2.gz IWUXLFAGXMTPOT-UHFFFAOYSA-N 2 1 271.408 3.324 20 0 CGADMP Fc1ccc(C[C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359197751 233279129 /nfs/dbraw/zinc/27/91/29/233279129.db2.gz VMZPAUUGDXXKID-GOSISDBHSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000271327693 191075495 /nfs/dbraw/zinc/07/54/95/191075495.db2.gz ABVKOTJAVYITMT-MRXNPFEDSA-N 2 1 275.440 3.163 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000628201942 350438793 /nfs/dbraw/zinc/43/87/93/350438793.db2.gz BANVXLLKXRNYGE-HZPDHXFCSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1nc(C)c(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000628202828 350439005 /nfs/dbraw/zinc/43/90/05/350439005.db2.gz JIQAPPAPAXGOIM-ZDUSSCGKSA-N 2 1 279.428 3.036 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628208147 350440377 /nfs/dbraw/zinc/44/03/77/350440377.db2.gz AHWMMQHASVXHDI-IRXDYDNUSA-N 2 1 274.452 3.420 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628285502 350478251 /nfs/dbraw/zinc/47/82/51/350478251.db2.gz WSVGLWGDSQMCNY-VXGBXAGGSA-N 2 1 262.388 3.130 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628285502 350478252 /nfs/dbraw/zinc/47/82/52/350478252.db2.gz WSVGLWGDSQMCNY-VXGBXAGGSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000628309458 350492817 /nfs/dbraw/zinc/49/28/17/350492817.db2.gz WMYQNXPCINCCGL-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352199883 219357617 /nfs/dbraw/zinc/35/76/17/219357617.db2.gz FQRLHGRDOVIXMF-UHFFFAOYSA-N 2 1 275.440 3.484 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000628425298 350535473 /nfs/dbraw/zinc/53/54/73/350535473.db2.gz GRTHLXQUFBHMFU-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000628425852 350536855 /nfs/dbraw/zinc/53/68/55/350536855.db2.gz XPUUZSULCFHUSQ-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628494987 350560824 /nfs/dbraw/zinc/56/08/24/350560824.db2.gz FYINHPXQIXGQRW-WOMSROEHSA-N 2 1 296.418 3.446 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628494987 350560828 /nfs/dbraw/zinc/56/08/28/350560828.db2.gz FYINHPXQIXGQRW-WOMSROEHSA-N 2 1 296.418 3.446 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000629547863 350710545 /nfs/dbraw/zinc/71/05/45/350710545.db2.gz VRBYBFFSCUCUOM-KSZJFAHPSA-N 2 1 278.827 3.316 20 0 CGADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC000629571696 350713752 /nfs/dbraw/zinc/71/37/52/350713752.db2.gz PBPXUGXRPMSBOD-HNNXBMFYSA-N 2 1 286.419 3.069 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629564899 350713940 /nfs/dbraw/zinc/71/39/40/350713940.db2.gz VPUVZZFYBGMCAB-UONOGXRCSA-N 2 1 292.389 3.416 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000629389334 350687802 /nfs/dbraw/zinc/68/78/02/350687802.db2.gz WYBQDLOIXVFJRY-KGYLQXTDSA-N 2 1 286.872 3.453 20 0 CGADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407679 350689090 /nfs/dbraw/zinc/68/90/90/350689090.db2.gz HUIUSJMGOVRPSS-PKFCDNJMSA-N 2 1 287.234 3.264 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc2c1 ZINC000629514345 350699638 /nfs/dbraw/zinc/69/96/38/350699638.db2.gz RCYZCBIOBHUBTR-QGZVFWFLSA-N 2 1 285.435 3.348 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc2c1 ZINC000629514345 350699643 /nfs/dbraw/zinc/69/96/43/350699643.db2.gz RCYZCBIOBHUBTR-QGZVFWFLSA-N 2 1 285.435 3.348 20 0 CGADMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC000629712574 350750206 /nfs/dbraw/zinc/75/02/06/350750206.db2.gz PYZIKRXJWFVCSC-SFHVURJKSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC000629712574 350750210 /nfs/dbraw/zinc/75/02/10/350750210.db2.gz PYZIKRXJWFVCSC-SFHVURJKSA-N 2 1 296.414 3.285 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000629660106 350732691 /nfs/dbraw/zinc/73/26/91/350732691.db2.gz NULMUVSWHWJWBA-YWPYICTPSA-N 2 1 266.816 3.174 20 0 CGADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000630060168 350804158 /nfs/dbraw/zinc/80/41/58/350804158.db2.gz IXOSFYRJGVXGMZ-CABCVRRESA-N 2 1 250.430 3.195 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+](C)CC2)c(C)c1 ZINC000631035547 350931780 /nfs/dbraw/zinc/93/17/80/350931780.db2.gz LLAFDMCYFOPHHD-AATRIKPKSA-N 2 1 272.436 3.309 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(C)c2C)C1 ZINC000631056308 350939330 /nfs/dbraw/zinc/93/93/30/350939330.db2.gz GILSUNXURYVIJF-AWEZNQCLSA-N 2 1 266.454 3.186 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)C1 ZINC000631569667 351069854 /nfs/dbraw/zinc/06/98/54/351069854.db2.gz MCBQFEPRKWSRIS-HOTGVXAUSA-N 2 1 299.462 3.420 20 0 CGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000631575536 351073380 /nfs/dbraw/zinc/07/33/80/351073380.db2.gz NCKIQBKNUFSJEN-FZKQIMNGSA-N 2 1 299.418 3.113 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886707 351151958 /nfs/dbraw/zinc/15/19/58/351151958.db2.gz JKFCWLSCGDOIAI-SJLPKXTDSA-N 2 1 288.435 3.048 20 0 CGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887625 351152309 /nfs/dbraw/zinc/15/23/09/351152309.db2.gz SNOBWSDWOXBYGQ-ZFWWWQNUSA-N 2 1 298.352 3.279 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891358 351152564 /nfs/dbraw/zinc/15/25/64/351152564.db2.gz YBAAVPHJDILKNU-ZBFHGGJFSA-N 2 1 270.376 3.007 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)[C@@H](C)C1 ZINC000631731368 351130265 /nfs/dbraw/zinc/13/02/65/351130265.db2.gz MNEVADAJPXAXOT-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)CC(C)C ZINC000634678488 351563664 /nfs/dbraw/zinc/56/36/64/351563664.db2.gz VOQWMKQPIYJSLG-CVEARBPZSA-N 2 1 284.488 3.290 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cscc2Cl)C1 ZINC000634732422 351576875 /nfs/dbraw/zinc/57/68/75/351576875.db2.gz GJQFTLUJCFVAPU-LLVKDONJSA-N 2 1 272.845 3.269 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1F ZINC000635011855 351629242 /nfs/dbraw/zinc/62/92/42/351629242.db2.gz PSKONXVAOKLCID-STQMWFEESA-N 2 1 264.388 3.255 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cc(F)ccc1F ZINC000635010616 351629852 /nfs/dbraw/zinc/62/98/52/351629852.db2.gz KQTKUTKTBCUBEB-WCQYABFASA-N 2 1 282.378 3.394 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2Cl)C1 ZINC000339843263 215361236 /nfs/dbraw/zinc/36/12/36/215361236.db2.gz HQEUIXPHGGWNRT-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2Cl)C1 ZINC000339843263 215361238 /nfs/dbraw/zinc/36/12/38/215361238.db2.gz HQEUIXPHGGWNRT-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2Cl)C1 ZINC000339843263 215361241 /nfs/dbraw/zinc/36/12/41/215361241.db2.gz HQEUIXPHGGWNRT-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2Cl)C1 ZINC000339843263 215361243 /nfs/dbraw/zinc/36/12/43/215361243.db2.gz HQEUIXPHGGWNRT-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2o1 ZINC000119258251 370659702 /nfs/dbraw/zinc/65/97/02/370659702.db2.gz DJOPLAKOQYOFIO-UHFFFAOYSA-N 2 1 272.392 3.351 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2o1 ZINC000119258251 370659707 /nfs/dbraw/zinc/65/97/07/370659707.db2.gz DJOPLAKOQYOFIO-UHFFFAOYSA-N 2 1 272.392 3.351 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123171959 187075932 /nfs/dbraw/zinc/07/59/32/187075932.db2.gz GJJUNWGWVDVILD-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123171959 187075933 /nfs/dbraw/zinc/07/59/33/187075933.db2.gz GJJUNWGWVDVILD-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123171959 187075934 /nfs/dbraw/zinc/07/59/34/187075934.db2.gz GJJUNWGWVDVILD-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123171959 187075935 /nfs/dbraw/zinc/07/59/35/187075935.db2.gz GJJUNWGWVDVILD-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123794776 187108891 /nfs/dbraw/zinc/10/88/91/187108891.db2.gz ANNFXBOVFCGEPQ-SWLSCSKDSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123794776 187108892 /nfs/dbraw/zinc/10/88/92/187108892.db2.gz ANNFXBOVFCGEPQ-SWLSCSKDSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000123794776 187108893 /nfs/dbraw/zinc/10/88/93/187108893.db2.gz ANNFXBOVFCGEPQ-SWLSCSKDSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000123794776 187108894 /nfs/dbraw/zinc/10/88/94/187108894.db2.gz ANNFXBOVFCGEPQ-SWLSCSKDSA-N 2 1 266.816 3.255 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292050551 198146058 /nfs/dbraw/zinc/14/60/58/198146058.db2.gz BNHXYZYNLZSIPU-SJORKVTESA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292050551 198146059 /nfs/dbraw/zinc/14/60/59/198146059.db2.gz BNHXYZYNLZSIPU-SJORKVTESA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292050551 198146061 /nfs/dbraw/zinc/14/60/61/198146061.db2.gz BNHXYZYNLZSIPU-SJORKVTESA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292050547 198146256 /nfs/dbraw/zinc/14/62/56/198146256.db2.gz BNHXYZYNLZSIPU-IAGOWNOFSA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292050547 198146258 /nfs/dbraw/zinc/14/62/58/198146258.db2.gz BNHXYZYNLZSIPU-IAGOWNOFSA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292050547 198146259 /nfs/dbraw/zinc/14/62/59/198146259.db2.gz BNHXYZYNLZSIPU-IAGOWNOFSA-N 2 1 276.399 3.304 20 0 CGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000365631413 234118461 /nfs/dbraw/zinc/11/84/61/234118461.db2.gz QSBMTGLSMUKBJQ-GFCCVEGCSA-N 2 1 291.345 3.078 20 0 CGADMP Cn1ccnc1[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000365631413 234118465 /nfs/dbraw/zinc/11/84/65/234118465.db2.gz QSBMTGLSMUKBJQ-GFCCVEGCSA-N 2 1 291.345 3.078 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113417 198167645 /nfs/dbraw/zinc/16/76/45/198167645.db2.gz JHSZFMCRNTVZPR-YOEHRIQHSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113417 198167646 /nfs/dbraw/zinc/16/76/46/198167646.db2.gz JHSZFMCRNTVZPR-YOEHRIQHSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113417 198167647 /nfs/dbraw/zinc/16/76/47/198167647.db2.gz JHSZFMCRNTVZPR-YOEHRIQHSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113417 198167648 /nfs/dbraw/zinc/16/76/48/198167648.db2.gz JHSZFMCRNTVZPR-YOEHRIQHSA-N 2 1 292.854 3.471 20 0 CGADMP c1nc2c([nH]1)CC[C@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC000368232116 234293213 /nfs/dbraw/zinc/29/32/13/234293213.db2.gz POVDBEFOKUZDDU-INIZCTEOSA-N 2 1 277.371 3.210 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423263462 295856716 /nfs/dbraw/zinc/85/67/16/295856716.db2.gz OKJTVXHSTGAWRR-MAUKXSAKSA-N 2 1 289.467 3.290 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156334436 188255670 /nfs/dbraw/zinc/25/56/70/188255670.db2.gz QPABORIDYYKDAX-VCBZYWHSSA-N 2 1 299.462 3.419 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292689215 198377939 /nfs/dbraw/zinc/37/79/39/198377939.db2.gz CJNMAGHSTJPZDY-MRXNPFEDSA-N 2 1 289.467 3.287 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292689215 198377941 /nfs/dbraw/zinc/37/79/41/198377941.db2.gz CJNMAGHSTJPZDY-MRXNPFEDSA-N 2 1 289.467 3.287 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292689215 198377943 /nfs/dbraw/zinc/37/79/43/198377943.db2.gz CJNMAGHSTJPZDY-MRXNPFEDSA-N 2 1 289.467 3.287 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292689215 198377944 /nfs/dbraw/zinc/37/79/44/198377944.db2.gz CJNMAGHSTJPZDY-MRXNPFEDSA-N 2 1 289.467 3.287 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccccc4n3)CC[C@@H]21 ZINC000158764784 188393147 /nfs/dbraw/zinc/39/31/47/188393147.db2.gz LYNZTIKZFYZTSI-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP Fc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449352196 283018493 /nfs/dbraw/zinc/01/84/93/283018493.db2.gz STGOSMNYFGBYDE-DEYYWGMASA-N 2 1 288.410 3.420 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414176587 235354711 /nfs/dbraw/zinc/35/47/11/235354711.db2.gz JEBIKKJSKVXIMK-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414756537 235459960 /nfs/dbraw/zinc/45/99/60/235459960.db2.gz JZADZIPLYNRCHA-IXDOHACOSA-N 2 1 274.452 3.246 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353481501 283179652 /nfs/dbraw/zinc/17/96/52/283179652.db2.gz DEFVZLHJDLVOJS-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353481501 283179653 /nfs/dbraw/zinc/17/96/53/283179653.db2.gz DEFVZLHJDLVOJS-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000293799187 198777620 /nfs/dbraw/zinc/77/76/20/198777620.db2.gz YDJLWFRJJMHELR-GOSISDBHSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)ccc1F ZINC000093516508 138347064 /nfs/dbraw/zinc/34/70/64/138347064.db2.gz GWGPKSQEKIRJDV-SWLSCSKDSA-N 2 1 282.378 3.365 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000110056313 138362502 /nfs/dbraw/zinc/36/25/02/138362502.db2.gz OJHBDODPWWIGMH-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP C[C@H]([NH3+])C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000110651745 138363293 /nfs/dbraw/zinc/36/32/93/138363293.db2.gz PUQJXOQTWJRPIQ-NSHDSACASA-N 2 1 289.810 3.452 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000111695865 138364443 /nfs/dbraw/zinc/36/44/43/138364443.db2.gz MCGXYXWBIGNKRV-AAEUAGOBSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000111695865 138364444 /nfs/dbraw/zinc/36/44/44/138364444.db2.gz MCGXYXWBIGNKRV-AAEUAGOBSA-N 2 1 286.341 3.265 20 0 CGADMP CCO[C@@H]1C[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124315728 138374308 /nfs/dbraw/zinc/37/43/08/138374308.db2.gz NUGGPLGGXMNRRX-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124315728 138374309 /nfs/dbraw/zinc/37/43/09/138374309.db2.gz NUGGPLGGXMNRRX-JKSUJKDBSA-N 2 1 293.455 3.107 20 0 CGADMP Cc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1C ZINC000127726386 138389988 /nfs/dbraw/zinc/38/99/88/138389988.db2.gz ZRLDNLMQSCQLOQ-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422890205 235937830 /nfs/dbraw/zinc/93/78/30/235937830.db2.gz HWVMTSATQKEXLK-OALUTQOASA-N 2 1 296.414 3.235 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC000423231176 236003235 /nfs/dbraw/zinc/00/32/35/236003235.db2.gz FYALCOJIBGDOOD-DLBZAZTESA-N 2 1 258.409 3.178 20 0 CGADMP c1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCCC2)cc1 ZINC000423246682 236008004 /nfs/dbraw/zinc/00/80/04/236008004.db2.gz ZSAJIXNEMONUPZ-IAGOWNOFSA-N 2 1 258.409 3.260 20 0 CGADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423262955 236013620 /nfs/dbraw/zinc/01/36/20/236013620.db2.gz NXDYJSVXICKSMV-AETAKHFUSA-N 2 1 290.451 3.150 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423286375 236024149 /nfs/dbraw/zinc/02/41/49/236024149.db2.gz GWCDEJQBDNZKBF-CYBMUJFWSA-N 2 1 264.413 3.253 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)c2c1 ZINC000423269438 236015761 /nfs/dbraw/zinc/01/57/61/236015761.db2.gz HDZVTJSBVWXAFN-SWLSCSKDSA-N 2 1 290.407 3.384 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000423320389 236036955 /nfs/dbraw/zinc/03/69/55/236036955.db2.gz GIMIZVLHGQQGKW-ZIAGYGMSSA-N 2 1 270.376 3.477 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C2CCC2)o1 ZINC000423324900 236038827 /nfs/dbraw/zinc/03/88/27/236038827.db2.gz BMDQWHNWHYDHEN-IAGOWNOFSA-N 2 1 276.424 3.409 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000423371647 236052612 /nfs/dbraw/zinc/05/26/12/236052612.db2.gz HRGCQQJVJXNWBS-WQGACYEGSA-N 2 1 282.378 3.016 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423449745 236074608 /nfs/dbraw/zinc/07/46/08/236074608.db2.gz RZMWUYROFZVTCG-IHRRRGAJSA-N 2 1 269.392 3.135 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCSc2ccccc21)C1CCCC1 ZINC000423533461 236093968 /nfs/dbraw/zinc/09/39/68/236093968.db2.gz TYLJBTNGCWODGD-CABCVRRESA-N 2 1 276.449 3.331 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc(C)n1 ZINC000423538999 236095082 /nfs/dbraw/zinc/09/50/82/236095082.db2.gz AQNPDNSHXCVBOL-RBUKOAKNSA-N 2 1 295.430 3.281 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000294383119 199018992 /nfs/dbraw/zinc/01/89/92/199018992.db2.gz INBFABSEHFDDJH-JSGCOSHPSA-N 2 1 252.427 3.131 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCCc1ccccc1)CC[NH2+]CC2 ZINC000424288069 236142605 /nfs/dbraw/zinc/14/26/05/236142605.db2.gz KAZCJKZCLZJTAC-INIZCTEOSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)C[NH+](C)C ZINC000425936437 236274720 /nfs/dbraw/zinc/27/47/20/236274720.db2.gz MQVZPHVGJZZLLN-IUODEOHRSA-N 2 1 296.842 3.341 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341990664 216179989 /nfs/dbraw/zinc/17/99/89/216179989.db2.gz NRUITUFLGZRIRV-CYBMUJFWSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341990664 216179992 /nfs/dbraw/zinc/17/99/92/216179992.db2.gz NRUITUFLGZRIRV-CYBMUJFWSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000177886593 189076762 /nfs/dbraw/zinc/07/67/62/189076762.db2.gz PUKVMEMCOUFHHN-XJKCOSOUSA-N 2 1 296.842 3.037 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000178697092 189138459 /nfs/dbraw/zinc/13/84/59/189138459.db2.gz XGUCLFQZQFWTNY-VXGBXAGGSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000178702143 189139081 /nfs/dbraw/zinc/13/90/81/189139081.db2.gz PHKRWFXXDQBRJZ-RYUDHWBXSA-N 2 1 293.361 3.457 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180757865 189273539 /nfs/dbraw/zinc/27/35/39/189273539.db2.gz BWVGSZDCCRRUEP-JKSUJKDBSA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180757865 189273540 /nfs/dbraw/zinc/27/35/40/189273540.db2.gz BWVGSZDCCRRUEP-JKSUJKDBSA-N 2 1 290.451 3.261 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000449072690 239159809 /nfs/dbraw/zinc/15/98/09/239159809.db2.gz KVBVZSYABCPNEP-IXYNUQLISA-N 2 1 263.429 3.242 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000449108845 239184347 /nfs/dbraw/zinc/18/43/47/239184347.db2.gz WFKQXNSCDBSZMM-WMZOPIPTSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000302210514 201399255 /nfs/dbraw/zinc/39/92/55/201399255.db2.gz CMNKKAWWGBIOPK-UHFFFAOYSA-N 2 1 299.393 3.241 20 0 CGADMP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000450728708 240058175 /nfs/dbraw/zinc/05/81/75/240058175.db2.gz PSYJSAUSTMWWEU-CVEARBPZSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000450728708 240058180 /nfs/dbraw/zinc/05/81/80/240058180.db2.gz PSYJSAUSTMWWEU-CVEARBPZSA-N 2 1 287.451 3.133 20 0 CGADMP CN(C)[C@@H]1CCC[N@H+](CCCC(=O)c2ccccc2)CC1 ZINC000450859316 240122230 /nfs/dbraw/zinc/12/22/30/240122230.db2.gz UUAOXWBBYNLBRP-QGZVFWFLSA-N 2 1 288.435 3.066 20 0 CGADMP CN(C)[C@@H]1CCC[N@@H+](CCCC(=O)c2ccccc2)CC1 ZINC000450859316 240122233 /nfs/dbraw/zinc/12/22/33/240122233.db2.gz UUAOXWBBYNLBRP-QGZVFWFLSA-N 2 1 288.435 3.066 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCCC(=O)c2ccccc2)CC1 ZINC000450859316 240122236 /nfs/dbraw/zinc/12/22/36/240122236.db2.gz UUAOXWBBYNLBRP-QGZVFWFLSA-N 2 1 288.435 3.066 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCC(=O)c2ccccc2)CC1 ZINC000450859316 240122241 /nfs/dbraw/zinc/12/22/41/240122241.db2.gz UUAOXWBBYNLBRP-QGZVFWFLSA-N 2 1 288.435 3.066 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1Cl ZINC000275353215 193007040 /nfs/dbraw/zinc/00/70/40/193007040.db2.gz AERCOTSACKCODP-OLZOCXBDSA-N 2 1 289.810 3.450 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275460656 193047435 /nfs/dbraw/zinc/04/74/35/193047435.db2.gz HDAUXIQOFZPKFB-HRCADAONSA-N 2 1 283.419 3.227 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275486410 193054864 /nfs/dbraw/zinc/05/48/64/193054864.db2.gz IRZMIMFLOKZGRB-ROUUACIJSA-N 2 1 297.446 3.447 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C[NH+](C)C ZINC000459741883 242204405 /nfs/dbraw/zinc/20/44/05/242204405.db2.gz CCSROKJKPQQZEF-QZTJIDSGSA-N 2 1 287.451 3.095 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000459767148 242222231 /nfs/dbraw/zinc/22/22/31/242222231.db2.gz PNHXEKVOAZKJQW-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000459767148 242222234 /nfs/dbraw/zinc/22/22/34/242222234.db2.gz PNHXEKVOAZKJQW-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000459767148 242222238 /nfs/dbraw/zinc/22/22/38/242222238.db2.gz PNHXEKVOAZKJQW-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000459775360 242226617 /nfs/dbraw/zinc/22/66/17/242226617.db2.gz JMXPWQJLTSDMBV-NXVRBGIVSA-N 2 1 290.426 3.393 20 0 CGADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000462807214 242364846 /nfs/dbraw/zinc/36/48/46/242364846.db2.gz ZBTSMEYDWDVGQY-CJNGLKHVSA-N 2 1 280.843 3.121 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477923656 243061383 /nfs/dbraw/zinc/06/13/83/243061383.db2.gz WLWYDPQHUZBFJC-OAHLLOKOSA-N 2 1 289.467 3.417 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000479507924 243109472 /nfs/dbraw/zinc/10/94/72/243109472.db2.gz YQSVXWWAGXPTOV-CRAIPNDOSA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000480671480 243159338 /nfs/dbraw/zinc/15/93/38/243159338.db2.gz NAVSJFNHYYLTRQ-PBHICJAKSA-N 2 1 260.425 3.382 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000481031786 243174664 /nfs/dbraw/zinc/17/46/64/243174664.db2.gz DDWJLTHRLKXBTA-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000481031786 243174667 /nfs/dbraw/zinc/17/46/67/243174667.db2.gz DDWJLTHRLKXBTA-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cccc(CCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000481082966 243176538 /nfs/dbraw/zinc/17/65/38/243176538.db2.gz XKOHAMSLWDCUQS-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1cccc(CCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000481082966 243176542 /nfs/dbraw/zinc/17/65/42/243176542.db2.gz XKOHAMSLWDCUQS-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C2CC2)cc1 ZINC000481302414 243186949 /nfs/dbraw/zinc/18/69/49/243186949.db2.gz CYGURETYTQBPQX-OALUTQOASA-N 2 1 286.463 3.246 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000482250999 243222579 /nfs/dbraw/zinc/22/25/79/243222579.db2.gz VVHVQFYRZJURTL-CRAIPNDOSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000482250999 243222581 /nfs/dbraw/zinc/22/25/81/243222581.db2.gz VVHVQFYRZJURTL-CRAIPNDOSA-N 2 1 274.452 3.328 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482542989 243232931 /nfs/dbraw/zinc/23/29/31/243232931.db2.gz KBTUKGBGMOGPTA-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C(C)C)[C@@H](C)C1 ZINC000484178162 243308616 /nfs/dbraw/zinc/30/86/16/243308616.db2.gz QHBPPKUOLQFZLO-ULQDDVLXSA-N 2 1 284.488 3.005 20 0 CGADMP CCCC[C@H](CCC)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484839400 243322225 /nfs/dbraw/zinc/32/22/25/243322225.db2.gz YOOCSTOBGSZUMG-BSDSXHPESA-N 2 1 296.499 3.340 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@H]1CC1(C)C ZINC000486965538 243388624 /nfs/dbraw/zinc/38/86/24/243388624.db2.gz JMUAGKKNPIMTME-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1F ZINC000486973452 243390543 /nfs/dbraw/zinc/39/05/43/243390543.db2.gz VMRJKIFHYCZSTH-UHFFFAOYSA-N 2 1 282.403 3.044 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1F ZINC000486973452 243390551 /nfs/dbraw/zinc/39/05/51/243390551.db2.gz VMRJKIFHYCZSTH-UHFFFAOYSA-N 2 1 282.403 3.044 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000486990210 243393486 /nfs/dbraw/zinc/39/34/86/243393486.db2.gz PFOMOQFUESAYPY-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000486990210 243393493 /nfs/dbraw/zinc/39/34/93/243393493.db2.gz PFOMOQFUESAYPY-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126323423 370943992 /nfs/dbraw/zinc/94/39/92/370943992.db2.gz OGCIJJFZGALCOF-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP C([NH2+][C@H]1CCSC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000020095264 368801962 /nfs/dbraw/zinc/80/19/62/368801962.db2.gz SUSYXYHUCYJFKQ-HNNXBMFYSA-N 2 1 282.497 3.270 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC000019913278 368782486 /nfs/dbraw/zinc/78/24/86/368782486.db2.gz ZZVBDIHORLNIOP-UHFFFAOYSA-N 2 1 260.425 3.431 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000019959354 368789448 /nfs/dbraw/zinc/78/94/48/368789448.db2.gz KDXHVMLQJDNUEL-NSHDSACASA-N 2 1 274.330 3.308 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000037213749 369077202 /nfs/dbraw/zinc/07/72/02/369077202.db2.gz VOSPIZSFFXIGEX-NSHDSACASA-N 2 1 283.485 3.351 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000037644117 369092777 /nfs/dbraw/zinc/09/27/77/369092777.db2.gz FDWMMHKDZXPBSN-QWHCGFSZSA-N 2 1 298.377 3.280 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000037644117 369092784 /nfs/dbraw/zinc/09/27/84/369092784.db2.gz FDWMMHKDZXPBSN-QWHCGFSZSA-N 2 1 298.377 3.280 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000037644123 369093551 /nfs/dbraw/zinc/09/35/51/369093551.db2.gz RMYFFALFEKTQJE-UONOGXRCSA-N 2 1 278.465 3.401 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037648867 369095248 /nfs/dbraw/zinc/09/52/48/369095248.db2.gz RQRJZADIWUZDCW-HUUCEWRRSA-N 2 1 258.409 3.130 20 0 CGADMP Cc1cccc(NCCC[N@H+](C)C2CCCCC2)[nH+]1 ZINC000037901380 369124066 /nfs/dbraw/zinc/12/40/66/369124066.db2.gz NZUDAVMURCZYKO-UHFFFAOYSA-N 2 1 261.413 3.457 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000043313883 369249235 /nfs/dbraw/zinc/24/92/35/369249235.db2.gz IOAPMOAVHXIKIV-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1C ZINC000043313883 369249237 /nfs/dbraw/zinc/24/92/37/369249237.db2.gz IOAPMOAVHXIKIV-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP COCC(C)(C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000494311298 244278880 /nfs/dbraw/zinc/27/88/80/244278880.db2.gz MBMULJNTAXHJON-INIZCTEOSA-N 2 1 284.488 3.005 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000495085320 244356073 /nfs/dbraw/zinc/35/60/73/244356073.db2.gz HMJLNZUEWMQRMC-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000495085320 244356077 /nfs/dbraw/zinc/35/60/77/244356077.db2.gz HMJLNZUEWMQRMC-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000495085320 244356083 /nfs/dbraw/zinc/35/60/83/244356083.db2.gz HMJLNZUEWMQRMC-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495085320 244356085 /nfs/dbraw/zinc/35/60/85/244356085.db2.gz HMJLNZUEWMQRMC-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049553324 369408702 /nfs/dbraw/zinc/40/87/02/369408702.db2.gz DVZFTNWUJIGQJZ-KGLIPLIRSA-N 2 1 264.413 3.076 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000128051512 370959661 /nfs/dbraw/zinc/95/96/61/370959661.db2.gz UFGIIYXFMPRHRZ-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000129003781 370970546 /nfs/dbraw/zinc/97/05/46/370970546.db2.gz NPPFJKJICYEAAC-LBPRGKRZSA-N 2 1 282.790 3.053 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062077582 369618027 /nfs/dbraw/zinc/61/80/27/369618027.db2.gz WVSNEVSRQNPOCO-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)s1 ZINC000063192209 369643118 /nfs/dbraw/zinc/64/31/18/369643118.db2.gz HCAIKWUZDBEDNT-BXUZGUMPSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)s1 ZINC000063192209 369643123 /nfs/dbraw/zinc/64/31/23/369643123.db2.gz HCAIKWUZDBEDNT-BXUZGUMPSA-N 2 1 252.427 3.067 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000067668264 369723875 /nfs/dbraw/zinc/72/38/75/369723875.db2.gz FPKSTEVXEGTOAS-OAHLLOKOSA-N 2 1 298.434 3.074 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000067668264 369723879 /nfs/dbraw/zinc/72/38/79/369723879.db2.gz FPKSTEVXEGTOAS-OAHLLOKOSA-N 2 1 298.434 3.074 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859560 369840389 /nfs/dbraw/zinc/84/03/89/369840389.db2.gz NKGAWFQNIYFSJW-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859560 369840397 /nfs/dbraw/zinc/84/03/97/369840397.db2.gz NKGAWFQNIYFSJW-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859560 369840403 /nfs/dbraw/zinc/84/04/03/369840403.db2.gz NKGAWFQNIYFSJW-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@@H]21 ZINC000219304264 376198546 /nfs/dbraw/zinc/19/85/46/376198546.db2.gz ZYMLZPMCRMKORN-VZJVUDMVSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@@H]21 ZINC000219304264 376198549 /nfs/dbraw/zinc/19/85/49/376198549.db2.gz ZYMLZPMCRMKORN-VZJVUDMVSA-N 2 1 282.790 3.038 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC000072860614 369841058 /nfs/dbraw/zinc/84/10/58/369841058.db2.gz JJLCGSDAZLQBKN-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC000072860614 369841065 /nfs/dbraw/zinc/84/10/65/369841065.db2.gz JJLCGSDAZLQBKN-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000072860614 369841075 /nfs/dbraw/zinc/84/10/75/369841075.db2.gz JJLCGSDAZLQBKN-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000072860614 369841080 /nfs/dbraw/zinc/84/10/80/369841080.db2.gz JJLCGSDAZLQBKN-KBPBESRZSA-N 2 1 264.388 3.160 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070171499 369786032 /nfs/dbraw/zinc/78/60/32/369786032.db2.gz LHMISIWEXORCQM-ZBFHGGJFSA-N 2 1 276.424 3.033 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169363 369786288 /nfs/dbraw/zinc/78/62/88/369786288.db2.gz OPLMIYIEJRSMGU-VXGBXAGGSA-N 2 1 268.351 3.087 20 0 CGADMP CC(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656609 369864881 /nfs/dbraw/zinc/86/48/81/369864881.db2.gz XBHWQXGCEDPGMM-WBVHZDCISA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656609 369864886 /nfs/dbraw/zinc/86/48/86/369864886.db2.gz XBHWQXGCEDPGMM-WBVHZDCISA-N 2 1 260.425 3.285 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CC2CC2)CC1)CC1CC1 ZINC000537756461 376199187 /nfs/dbraw/zinc/19/91/87/376199187.db2.gz XVQJGGUUAZZVEE-UHFFFAOYSA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)cs1 ZINC000086332096 370020532 /nfs/dbraw/zinc/02/05/32/370020532.db2.gz XRAWVKOJONXFCO-UHFFFAOYSA-N 2 1 260.834 3.223 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043397 370090478 /nfs/dbraw/zinc/09/04/78/370090478.db2.gz SQFULSYJYUOQIO-TXCZRRACSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043397 370090482 /nfs/dbraw/zinc/09/04/82/370090482.db2.gz SQFULSYJYUOQIO-TXCZRRACSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000092043397 370090486 /nfs/dbraw/zinc/09/04/86/370090486.db2.gz SQFULSYJYUOQIO-TXCZRRACSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000092043397 370090488 /nfs/dbraw/zinc/09/04/88/370090488.db2.gz SQFULSYJYUOQIO-TXCZRRACSA-N 2 1 288.435 3.319 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597232 370145135 /nfs/dbraw/zinc/14/51/35/370145135.db2.gz IQUAWBAGGMZSEE-OAHLLOKOSA-N 2 1 284.403 3.351 20 0 CGADMP c1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597232 370145138 /nfs/dbraw/zinc/14/51/38/370145138.db2.gz IQUAWBAGGMZSEE-OAHLLOKOSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000093597479 370145207 /nfs/dbraw/zinc/14/52/07/370145207.db2.gz PYOMCCMPIZYOCQ-KRWDZBQOSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@H+](Cc1ccc(Cl)s1)CC1CC[NH+](C)CC1 ZINC000110117006 370370496 /nfs/dbraw/zinc/37/04/96/370370496.db2.gz HTRHLUIOGUGPKR-UHFFFAOYSA-N 2 1 272.845 3.175 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000513673918 245088862 /nfs/dbraw/zinc/08/88/62/245088862.db2.gz ZSKNPJHQPWRRTD-GXZRBYELSA-N 2 1 284.447 3.395 20 0 CGADMP c1ccc([C@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000130468329 371036263 /nfs/dbraw/zinc/03/62/63/371036263.db2.gz VEPFJOBFSDABSF-SZMVWBNQSA-N 2 1 284.447 3.397 20 0 CGADMP CC1(C)CC([NH2+]Cc2cnc(C3CC3)s2)CC(C)(C)[NH2+]1 ZINC000133619966 371266757 /nfs/dbraw/zinc/26/67/57/371266757.db2.gz BQRBTEWCOHXEFS-UHFFFAOYSA-N 2 1 293.480 3.419 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000134109363 371303223 /nfs/dbraw/zinc/30/32/23/371303223.db2.gz BJHQRXQFCNOFAD-YVSFHVDLSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000134109363 371303227 /nfs/dbraw/zinc/30/32/27/371303227.db2.gz BJHQRXQFCNOFAD-YVSFHVDLSA-N 2 1 296.499 3.148 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000136196503 371466525 /nfs/dbraw/zinc/46/65/25/371466525.db2.gz ILHJWZPJORUCOI-MRXNPFEDSA-N 2 1 290.451 3.249 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000136196503 371466529 /nfs/dbraw/zinc/46/65/29/371466529.db2.gz ILHJWZPJORUCOI-MRXNPFEDSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000151132335 371573477 /nfs/dbraw/zinc/57/34/77/371573477.db2.gz PMZADYJEYJXCLW-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345435 214020667 /nfs/dbraw/zinc/02/06/67/214020667.db2.gz VBCQLKOYGRTHQV-JZXOWHBKSA-N 2 1 289.467 3.428 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345435 214020669 /nfs/dbraw/zinc/02/06/69/214020669.db2.gz VBCQLKOYGRTHQV-JZXOWHBKSA-N 2 1 289.467 3.428 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000422560287 371749076 /nfs/dbraw/zinc/74/90/76/371749076.db2.gz WUSHUACFKTZYBU-QGZVFWFLSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118025 371750765 /nfs/dbraw/zinc/75/07/65/371750765.db2.gz DGMOKJQLEQOMCR-KBXCAEBGSA-N 2 1 297.446 3.477 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289688230 371794939 /nfs/dbraw/zinc/79/49/39/371794939.db2.gz JWODUPSNEVLLDA-AWEZNQCLSA-N 2 1 294.402 3.481 20 0 CGADMP C[C@H]([NH2+]CCSCc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000422775005 371799409 /nfs/dbraw/zinc/79/94/09/371799409.db2.gz ZJOOCVLCHPJYLA-XJKSGUPXSA-N 2 1 296.455 3.179 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000337372433 214036238 /nfs/dbraw/zinc/03/62/38/214036238.db2.gz DHHLXLDWUATXAR-PBHICJAKSA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000337372433 214036240 /nfs/dbraw/zinc/03/62/40/214036240.db2.gz DHHLXLDWUATXAR-PBHICJAKSA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337372433 214036243 /nfs/dbraw/zinc/03/62/43/214036243.db2.gz DHHLXLDWUATXAR-PBHICJAKSA-N 2 1 290.451 3.172 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337372433 214036244 /nfs/dbraw/zinc/03/62/44/214036244.db2.gz DHHLXLDWUATXAR-PBHICJAKSA-N 2 1 290.451 3.172 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422837957 371834253 /nfs/dbraw/zinc/83/42/53/371834253.db2.gz NFYOAYWTWREGME-VNHYZAJKSA-N 2 1 296.842 3.228 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422791622 371811738 /nfs/dbraw/zinc/81/17/38/371811738.db2.gz QLHNDRYVRUWHGK-LZWOXQAQSA-N 2 1 278.465 3.287 20 0 CGADMP C[C@]1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCS1 ZINC000422876258 371849795 /nfs/dbraw/zinc/84/97/95/371849795.db2.gz QCZGIDGSUHUVAL-YESZJQIVSA-N 2 1 290.476 3.355 20 0 CGADMP CCC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(F)cc1F ZINC000422875835 371850064 /nfs/dbraw/zinc/85/00/64/371850064.db2.gz PMYQKCHQFLFILA-MEBBXXQBSA-N 2 1 268.351 3.004 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000422914956 371865507 /nfs/dbraw/zinc/86/55/07/371865507.db2.gz WUUBFYOHTJKNAV-CQSZACIVSA-N 2 1 283.419 3.414 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000422921090 371870138 /nfs/dbraw/zinc/87/01/38/371870138.db2.gz OUKGXONPMVKYES-BZUAXINKSA-N 2 1 296.842 3.277 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000422860095 371842624 /nfs/dbraw/zinc/84/26/24/371842624.db2.gz HYHZBCGNUMICFT-NVPAJSRCSA-N 3 1 298.434 3.101 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422968497 371894299 /nfs/dbraw/zinc/89/42/99/371894299.db2.gz RGYJAQSRNQAYGC-MWQQHZPXSA-N 2 1 258.409 3.053 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000422981400 371901267 /nfs/dbraw/zinc/90/12/67/371901267.db2.gz SOPHDQUSBRPKJY-RYQLBKOJSA-N 2 1 289.467 3.243 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](Nc1ccccc1)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422982589 371901362 /nfs/dbraw/zinc/90/13/62/371901362.db2.gz WZHDEUJUMMFDPA-SQNIBIBYSA-N 2 1 289.467 3.243 20 0 CGADMP Oc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422997960 371908116 /nfs/dbraw/zinc/90/81/16/371908116.db2.gz VSZSHAUDZIVDMJ-IEBWSBKVSA-N 2 1 296.414 3.018 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)[C@H]1CCC[NH2+]1 ZINC000423032726 371926620 /nfs/dbraw/zinc/92/66/20/371926620.db2.gz YNDVDIDENVLISW-XHDPSFHLSA-N 2 1 296.817 3.241 20 0 CGADMP Cc1ccncc1CCC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000290184995 371926550 /nfs/dbraw/zinc/92/65/50/371926550.db2.gz ZMNYKAAIBMBNFI-UONOGXRCSA-N 2 1 264.438 3.148 20 0 CGADMP C[C@H]([NH2+]C1CC(c2ccc(F)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423093914 371958300 /nfs/dbraw/zinc/95/83/00/371958300.db2.gz AOTJTJUBYQUNKL-ZBFGXGADSA-N 2 1 296.817 3.455 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423104130 371967849 /nfs/dbraw/zinc/96/78/49/371967849.db2.gz GSKDHUYLZJTNMW-XHSDSOJGSA-N 2 1 258.409 3.258 20 0 CGADMP CSc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423111496 371973277 /nfs/dbraw/zinc/97/32/77/371973277.db2.gz WCCFFNZUCKBZBQ-RISCZKNCSA-N 2 1 282.428 3.025 20 0 CGADMP COc1cc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)ccc1Cl ZINC000423139611 371987033 /nfs/dbraw/zinc/98/70/33/371987033.db2.gz VWPOZFPYRDCXDC-DOMZBBRYSA-N 2 1 296.842 3.011 20 0 CGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423150860 371992725 /nfs/dbraw/zinc/99/27/25/371992725.db2.gz ZKDRIRPKPIDIPR-PXAZEXFGSA-N 2 1 276.399 3.181 20 0 CGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423150862 371993121 /nfs/dbraw/zinc/99/31/21/371993121.db2.gz ZKDRIRPKPIDIPR-SJKOYZFVSA-N 2 1 276.399 3.181 20 0 CGADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1C ZINC000290464113 371995429 /nfs/dbraw/zinc/99/54/29/371995429.db2.gz NEEXEWTUDQUPPT-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1C ZINC000290464113 371995432 /nfs/dbraw/zinc/99/54/32/371995432.db2.gz NEEXEWTUDQUPPT-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423079591 371952393 /nfs/dbraw/zinc/95/23/93/371952393.db2.gz YLOBFUURIMHTDI-IRXDYDNUSA-N 2 1 275.440 3.129 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3sccc32)CCCCC1 ZINC000423187900 372014852 /nfs/dbraw/zinc/01/48/52/372014852.db2.gz YLNIOKQFSZPORH-CYBMUJFWSA-N 2 1 264.438 3.377 20 0 CGADMP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CC[NH3+])C1 ZINC000423188140 372014983 /nfs/dbraw/zinc/01/49/83/372014983.db2.gz PRICRILBLBALHZ-YGRLFVJLSA-N 2 1 297.240 3.011 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]CC[NH3+])c2ccc(C)cc2)cc1 ZINC000423187065 372015460 /nfs/dbraw/zinc/01/54/60/372015460.db2.gz OVLUOYKCZPMWKY-SFHVURJKSA-N 2 1 268.404 3.136 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@@H](C2CC2)C2CCCC2)c1 ZINC000423189330 372017507 /nfs/dbraw/zinc/01/75/07/372017507.db2.gz PFCDFQHQCJSWRO-GOSISDBHSA-N 2 1 287.451 3.120 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccs1 ZINC000423200729 372025235 /nfs/dbraw/zinc/02/52/35/372025235.db2.gz MYVCFSQFBCEPAM-LBPRGKRZSA-N 2 1 252.427 3.450 20 0 CGADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423204466 372027877 /nfs/dbraw/zinc/02/78/77/372027877.db2.gz AWJSQZQNLTXOKS-ZIAGYGMSSA-N 2 1 285.435 3.176 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000423206947 372030915 /nfs/dbraw/zinc/03/09/15/372030915.db2.gz XIRKGDZETJZRGF-LBPRGKRZSA-N 2 1 276.380 3.010 20 0 CGADMP CSc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423261634 372044092 /nfs/dbraw/zinc/04/40/92/372044092.db2.gz KJWJVHIHPUUZSQ-GXTWGEPZSA-N 2 1 266.454 3.433 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423279554 372048829 /nfs/dbraw/zinc/04/88/29/372048829.db2.gz RLQJKGFCFMJUJE-ISVAXAHUSA-N 2 1 273.207 3.381 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cs1 ZINC000423176150 372006058 /nfs/dbraw/zinc/00/60/58/372006058.db2.gz GIALQJIHZDQALA-LBPRGKRZSA-N 2 1 252.427 3.369 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000423180782 372008639 /nfs/dbraw/zinc/00/86/39/372008639.db2.gz OBNIHXQYBJWJGZ-LLVKDONJSA-N 2 1 281.469 3.326 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000423503883 372070206 /nfs/dbraw/zinc/07/02/06/372070206.db2.gz NDJWBQYOBYFNGA-SQNIBIBYSA-N 2 1 272.436 3.430 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccn2)c1 ZINC000159010913 372098470 /nfs/dbraw/zinc/09/84/70/372098470.db2.gz PGMALOCEJUUNRD-HNNXBMFYSA-N 2 1 283.419 3.384 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000291353056 372166927 /nfs/dbraw/zinc/16/69/27/372166927.db2.gz XMNCUCUKZJLNOE-HDMKZQKVSA-N 2 1 272.436 3.190 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292879022 372237002 /nfs/dbraw/zinc/23/70/02/372237002.db2.gz XISVGPXHIYQHDD-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292879022 372237006 /nfs/dbraw/zinc/23/70/06/372237006.db2.gz XISVGPXHIYQHDD-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292879022 372237010 /nfs/dbraw/zinc/23/70/10/372237010.db2.gz XISVGPXHIYQHDD-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292879022 372237018 /nfs/dbraw/zinc/23/70/18/372237018.db2.gz XISVGPXHIYQHDD-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428853533 372269949 /nfs/dbraw/zinc/26/99/49/372269949.db2.gz ARTLKNJCORZGOK-UHFFFAOYSA-N 2 1 289.326 3.062 20 0 CGADMP CC(C)CCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000429043739 372307581 /nfs/dbraw/zinc/30/75/81/372307581.db2.gz IGPRMMJKSQNYLS-CALCHBBNSA-N 2 1 296.499 3.244 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cccs1 ZINC000162687531 372410399 /nfs/dbraw/zinc/41/03/99/372410399.db2.gz JFLFGCPVNLMBEG-UONOGXRCSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000162687531 372410403 /nfs/dbraw/zinc/41/04/03/372410403.db2.gz JFLFGCPVNLMBEG-UONOGXRCSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000162687531 372410407 /nfs/dbraw/zinc/41/04/07/372410407.db2.gz JFLFGCPVNLMBEG-UONOGXRCSA-N 2 1 264.438 3.369 20 0 CGADMP CCC[N@@H+](CCCc1cccc(OC)c1)C1CC[NH2+]CC1 ZINC000431073294 372422840 /nfs/dbraw/zinc/42/28/40/372422840.db2.gz JAKLDSAQVWAGCU-UHFFFAOYSA-N 2 1 290.451 3.092 20 0 CGADMP CCC[N@@H+](CCOc1cccc(CC)c1)C1CC[NH2+]CC1 ZINC000431086684 372425925 /nfs/dbraw/zinc/42/59/25/372425925.db2.gz RGKKHDAQVOAESL-UHFFFAOYSA-N 2 1 290.451 3.092 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000163213714 372453529 /nfs/dbraw/zinc/45/35/29/372453529.db2.gz FCAIMNZAQGAHFD-IUODEOHRSA-N 2 1 294.439 3.294 20 0 CGADMP C[C@H](OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000163356877 372463603 /nfs/dbraw/zinc/46/36/03/372463603.db2.gz QXXUCZJLENPDJA-SOLBZPMBSA-N 2 1 290.451 3.227 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000293791834 372482756 /nfs/dbraw/zinc/48/27/56/372482756.db2.gz UJLLNIGZVABWLK-SRIISGBFSA-N 2 1 272.436 3.108 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccnc1Cl ZINC000164622938 372526524 /nfs/dbraw/zinc/52/65/24/372526524.db2.gz SQADPBKXNXIYAH-GFCCVEGCSA-N 2 1 292.814 3.371 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(C)CC1 ZINC000165332177 372549159 /nfs/dbraw/zinc/54/91/59/372549159.db2.gz HIRVBHRJUBQQEQ-AEFFLSMTSA-N 2 1 286.463 3.329 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)o1 ZINC000165343772 372549238 /nfs/dbraw/zinc/54/92/38/372549238.db2.gz UWDSXGQEILGUQM-UONOGXRCSA-N 2 1 264.413 3.225 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000165322998 372549980 /nfs/dbraw/zinc/54/99/80/372549980.db2.gz SNVPPHCZDKFNCS-SJLPKXTDSA-N 2 1 298.430 3.495 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000165322998 372549986 /nfs/dbraw/zinc/54/99/86/372549986.db2.gz SNVPPHCZDKFNCS-SJLPKXTDSA-N 2 1 298.430 3.495 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000165639141 372554508 /nfs/dbraw/zinc/55/45/08/372554508.db2.gz UOJCNZWJPBMNPD-UKRRQHHQSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCC(C)(C)C2)CCCO1 ZINC000432345703 372562615 /nfs/dbraw/zinc/56/26/15/372562615.db2.gz ISGLHQVAOKYRDV-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC(C)(C)C2)CCCO1 ZINC000432345703 372562620 /nfs/dbraw/zinc/56/26/20/372562620.db2.gz ISGLHQVAOKYRDV-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000166549178 372576899 /nfs/dbraw/zinc/57/68/99/372576899.db2.gz WWLCTIWMMIKIHG-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000294176798 372604526 /nfs/dbraw/zinc/60/45/26/372604526.db2.gz JVDHPNXAGLRZFC-OLZOCXBDSA-N 2 1 264.438 3.191 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccsc2C)C1 ZINC000295363390 372749737 /nfs/dbraw/zinc/74/97/37/372749737.db2.gz NYSPSSZSIAFTDA-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccsc2C)C1 ZINC000295363390 372749745 /nfs/dbraw/zinc/74/97/45/372749745.db2.gz NYSPSSZSIAFTDA-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP C[N@@H+](CCc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435609866 372783941 /nfs/dbraw/zinc/78/39/41/372783941.db2.gz CQUIQLJPAOQRNY-LJQANCHMSA-N 2 1 282.431 3.456 20 0 CGADMP C[NH2+]CCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000435874040 372820375 /nfs/dbraw/zinc/82/03/75/372820375.db2.gz HFDQISBSEIVMGB-UHFFFAOYSA-N 2 1 297.240 3.023 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000435874040 372820380 /nfs/dbraw/zinc/82/03/80/372820380.db2.gz HFDQISBSEIVMGB-UHFFFAOYSA-N 2 1 297.240 3.023 20 0 CGADMP C[NH2+]CCC[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000435877022 372822984 /nfs/dbraw/zinc/82/29/84/372822984.db2.gz MQNMWVWZSGDPHE-GFCCVEGCSA-N 2 1 266.816 3.475 20 0 CGADMP CCCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435699023 372796761 /nfs/dbraw/zinc/79/67/61/372796761.db2.gz YBSVHBRIKWGSFP-OAHLLOKOSA-N 2 1 278.465 3.492 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000344613131 217248655 /nfs/dbraw/zinc/24/86/55/217248655.db2.gz FCFKHSBLZIDDTL-BEFAXECRSA-N 2 1 295.430 3.321 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000344613132 217249599 /nfs/dbraw/zinc/24/95/99/217249599.db2.gz FCFKHSBLZIDDTL-DNVCBOLYSA-N 2 1 295.430 3.321 20 0 CGADMP C[NH+](C)C1(C[NH2+]CCCCOc2ccccc2)CCCC1 ZINC000438068495 372867775 /nfs/dbraw/zinc/86/77/75/372867775.db2.gz CTMBFOOARYQIMR-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000438196841 372910516 /nfs/dbraw/zinc/91/05/16/372910516.db2.gz ACINBUHBJZLDKV-PMPSAXMXSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000438196841 372910520 /nfs/dbraw/zinc/91/05/20/372910520.db2.gz ACINBUHBJZLDKV-PMPSAXMXSA-N 2 1 292.442 3.467 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172651661 373003084 /nfs/dbraw/zinc/00/30/84/373003084.db2.gz NVODBDSDVLMRSG-INIZCTEOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172651661 373003095 /nfs/dbraw/zinc/00/30/95/373003095.db2.gz NVODBDSDVLMRSG-INIZCTEOSA-N 2 1 290.476 3.326 20 0 CGADMP CC[C@@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+]1CCCC1 ZINC000442714087 373066749 /nfs/dbraw/zinc/06/67/49/373066749.db2.gz KRQCINAMQGKMBZ-RUXDESIVSA-N 2 1 274.399 3.274 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000172848821 373046604 /nfs/dbraw/zinc/04/66/04/373046604.db2.gz DQRWUCRJAAGYNW-RDJZCZTQSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000172848821 373046609 /nfs/dbraw/zinc/04/66/09/373046609.db2.gz DQRWUCRJAAGYNW-RDJZCZTQSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000172848821 373046614 /nfs/dbraw/zinc/04/66/14/373046614.db2.gz DQRWUCRJAAGYNW-RDJZCZTQSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000172848821 373046617 /nfs/dbraw/zinc/04/66/17/373046617.db2.gz DQRWUCRJAAGYNW-RDJZCZTQSA-N 2 1 290.451 3.388 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442770140 373074660 /nfs/dbraw/zinc/07/46/60/373074660.db2.gz OYTXGVFAVMAXJA-JWTNVVGKSA-N 2 1 272.436 3.142 20 0 CGADMP Cc1ccc(SCC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000442787072 373082183 /nfs/dbraw/zinc/08/21/83/373082183.db2.gz HELNFLPQGRYPEN-CABCVRRESA-N 2 1 278.465 3.065 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000442791610 373084502 /nfs/dbraw/zinc/08/45/02/373084502.db2.gz ODKGIKREDDHJJO-CABCVRRESA-N 2 1 297.402 3.043 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000442799572 373088459 /nfs/dbraw/zinc/08/84/59/373088459.db2.gz YWDFGVGIKIJYIK-XGNXJENSSA-N 2 1 285.382 3.241 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccccc1 ZINC000173441920 373142273 /nfs/dbraw/zinc/14/22/73/373142273.db2.gz UOYFUWOOYKPVNJ-CQSZACIVSA-N 2 1 257.381 3.323 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000296477009 373147876 /nfs/dbraw/zinc/14/78/76/373147876.db2.gz PUZVBXLZUADZAI-PBHICJAKSA-N 2 1 292.492 3.368 20 0 CGADMP c1cc2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c[nH+]1 ZINC000296665381 373213928 /nfs/dbraw/zinc/21/39/28/373213928.db2.gz XZELEZUDJSXPBW-DLBZAZTESA-N 2 1 267.376 3.274 20 0 CGADMP CCc1ccccc1CC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000444654223 373220956 /nfs/dbraw/zinc/22/09/56/373220956.db2.gz WJFPSBUNTJVBIN-QGZVFWFLSA-N 2 1 288.479 3.455 20 0 CGADMP c1ccc([C@@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000444595422 373206894 /nfs/dbraw/zinc/20/68/94/373206894.db2.gz JSNCGFIGGFGDHD-KRWDZBQOSA-N 2 1 258.409 3.309 20 0 CGADMP c1ccc([C@@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000444595422 373206898 /nfs/dbraw/zinc/20/68/98/373206898.db2.gz JSNCGFIGGFGDHD-KRWDZBQOSA-N 2 1 258.409 3.309 20 0 CGADMP CN(Cc1ccccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174397440 373306979 /nfs/dbraw/zinc/30/69/79/373306979.db2.gz FBTHZRQPWRKANY-GOSISDBHSA-N 2 1 295.430 3.036 20 0 CGADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000299311559 373503560 /nfs/dbraw/zinc/50/35/60/373503560.db2.gz DXSLOTJPXJBFOB-UHFFFAOYSA-N 2 1 280.362 3.071 20 0 CGADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1C ZINC000447851248 373508699 /nfs/dbraw/zinc/50/86/99/373508699.db2.gz ZBYKSFKTOSRDBD-INIZCTEOSA-N 2 1 290.451 3.358 20 0 CGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1C ZINC000447851248 373508707 /nfs/dbraw/zinc/50/87/07/373508707.db2.gz ZBYKSFKTOSRDBD-INIZCTEOSA-N 2 1 290.451 3.358 20 0 CGADMP C[N@@H+](Cc1ncc(C(C)(C)C)s1)CC1CC[NH+](C)CC1 ZINC000448335265 373564612 /nfs/dbraw/zinc/56/46/12/373564612.db2.gz PXEBPEKJQLPRFW-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP C[N@H+](Cc1ncc(C(C)(C)C)s1)CC1CC[NH+](C)CC1 ZINC000448335265 373564615 /nfs/dbraw/zinc/56/46/15/373564615.db2.gz PXEBPEKJQLPRFW-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@H+](CC)CCN ZINC000300831301 373640841 /nfs/dbraw/zinc/64/08/41/373640841.db2.gz OSBUXJBAXBUTPO-ZDUSSCGKSA-N 2 1 285.229 3.181 20 0 CGADMP CCCC[C@H](CC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178706375 373806379 /nfs/dbraw/zinc/80/63/79/373806379.db2.gz CDJMNKVMPJTNCG-HIFRSBDPSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000178704583 373806582 /nfs/dbraw/zinc/80/65/82/373806582.db2.gz XORICYRDSASNNN-RRQGHBQHSA-N 2 1 275.440 3.386 20 0 CGADMP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974265 373823041 /nfs/dbraw/zinc/82/30/41/373823041.db2.gz PNDASMCRECECLJ-GUYCJALGSA-N 2 1 276.399 3.208 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178973640 373823749 /nfs/dbraw/zinc/82/37/49/373823749.db2.gz IAJNRGNKHZIUTA-SFHVURJKSA-N 2 1 272.436 3.040 20 0 CGADMP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000449646875 373837714 /nfs/dbraw/zinc/83/77/14/373837714.db2.gz CICWQHBYCFERTN-RYRKJORJSA-N 2 1 299.462 3.174 20 0 CGADMP CC[C@@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1F ZINC000180737343 374040568 /nfs/dbraw/zinc/04/05/68/374040568.db2.gz DUTSVPRKNANJIO-GDZNZVCISA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000180737343 374040573 /nfs/dbraw/zinc/04/05/73/374040573.db2.gz DUTSVPRKNANJIO-GDZNZVCISA-N 2 1 276.399 3.492 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(CC)CC ZINC000181425605 374122429 /nfs/dbraw/zinc/12/24/29/374122429.db2.gz IHFLPTKSBAWIDH-IRXDYDNUSA-N 2 1 294.483 3.187 20 0 CGADMP COc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000072952826 541897996 /nfs/dbraw/zinc/89/79/96/541897996.db2.gz BKTCWWVAFOMWJR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP COc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000072952826 541898002 /nfs/dbraw/zinc/89/80/02/541898002.db2.gz BKTCWWVAFOMWJR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP COc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000072952826 541898007 /nfs/dbraw/zinc/89/80/07/541898007.db2.gz BKTCWWVAFOMWJR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP COc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000072952826 541898012 /nfs/dbraw/zinc/89/80/12/541898012.db2.gz BKTCWWVAFOMWJR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=CCCCC2)C[C@H]1C ZINC000450467786 374150476 /nfs/dbraw/zinc/15/04/76/374150476.db2.gz LYSXLGAQXMFJJA-ZBFHGGJFSA-N 2 1 250.430 3.291 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=CCCCC2)C[C@H]1C ZINC000450467786 374150483 /nfs/dbraw/zinc/15/04/83/374150483.db2.gz LYSXLGAQXMFJJA-ZBFHGGJFSA-N 2 1 250.430 3.291 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=CCCCC2)C[C@H]1C ZINC000450467786 374150487 /nfs/dbraw/zinc/15/04/87/374150487.db2.gz LYSXLGAQXMFJJA-ZBFHGGJFSA-N 2 1 250.430 3.291 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCCC3(F)F)CC[C@@H]21 ZINC000450501719 374156821 /nfs/dbraw/zinc/15/68/21/374156821.db2.gz OIDJMQINLWBBBN-ILXRZTDVSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)CC[C@@H]21 ZINC000450501719 374156827 /nfs/dbraw/zinc/15/68/27/374156827.db2.gz OIDJMQINLWBBBN-ILXRZTDVSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)CC[C@@H]21 ZINC000450501719 374156835 /nfs/dbraw/zinc/15/68/35/374156835.db2.gz OIDJMQINLWBBBN-ILXRZTDVSA-N 2 1 286.410 3.228 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000308452350 374167362 /nfs/dbraw/zinc/16/73/62/374167362.db2.gz GZUIGCLRGQEKPL-ZDUSSCGKSA-N 2 1 268.832 3.201 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000308452350 374167369 /nfs/dbraw/zinc/16/73/69/374167369.db2.gz GZUIGCLRGQEKPL-ZDUSSCGKSA-N 2 1 268.832 3.201 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310977599 374231419 /nfs/dbraw/zinc/23/14/19/374231419.db2.gz IHSUXRKNLGZJMG-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]c(C)c1Cl ZINC000310548066 374217560 /nfs/dbraw/zinc/21/75/60/374217560.db2.gz SXXQBGSQYBBMND-SNVBAGLBSA-N 2 1 255.793 3.186 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)CC[N@@H+]1C ZINC000310713915 374221766 /nfs/dbraw/zinc/22/17/66/374221766.db2.gz FCRSFEMOWBGZHG-IUODEOHRSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)CC[N@H+]1C ZINC000310713915 374221772 /nfs/dbraw/zinc/22/17/72/374221772.db2.gz FCRSFEMOWBGZHG-IUODEOHRSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310968562 374228806 /nfs/dbraw/zinc/22/88/06/374228806.db2.gz GEWXBGXQASUHMY-ZDUSSCGKSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000311946536 374262356 /nfs/dbraw/zinc/26/23/56/374262356.db2.gz IUNSPQPPBJGWFG-CQSZACIVSA-N 2 1 257.381 3.159 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000312512061 374282170 /nfs/dbraw/zinc/28/21/70/374282170.db2.gz JUNJFQHKGIIWLQ-ULQDDVLXSA-N 2 1 272.436 3.214 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802637 374332385 /nfs/dbraw/zinc/33/23/85/374332385.db2.gz BCPYFMHWAJEZMQ-KSSFIOAISA-N 2 1 297.446 3.477 20 0 CGADMP CC(C)(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000328458520 374365839 /nfs/dbraw/zinc/36/58/39/374365839.db2.gz SSCCYYOUHOOCNF-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183101155 374372349 /nfs/dbraw/zinc/37/23/49/374372349.db2.gz ZEXQZYXYBFOJCO-HUUCEWRRSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101155 374372355 /nfs/dbraw/zinc/37/23/55/374372355.db2.gz ZEXQZYXYBFOJCO-HUUCEWRRSA-N 2 1 276.424 3.331 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453342854 374433296 /nfs/dbraw/zinc/43/32/96/374433296.db2.gz HZQIQVRRPZNIPE-HJQPHTCJSA-N 2 1 264.457 3.416 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC[C@H]1C1CC1)C1CC1 ZINC000453410793 374474271 /nfs/dbraw/zinc/47/42/71/374474271.db2.gz VGLBSMJVZIVXBT-DLBZAZTESA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC000185159187 374599373 /nfs/dbraw/zinc/59/93/73/374599373.db2.gz OBHPKUBANMKGRK-UHFFFAOYSA-N 2 1 275.440 3.216 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000459734415 374817678 /nfs/dbraw/zinc/81/76/78/374817678.db2.gz HCCTUGRVPDRMAG-RBSFLKMASA-N 2 1 284.513 3.228 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)CC1CC[NH2+]CC1 ZINC000094011935 541985090 /nfs/dbraw/zinc/98/50/90/541985090.db2.gz QBHVIWQXVOGZEH-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP Clc1cccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1Cl ZINC000334647430 374938893 /nfs/dbraw/zinc/93/88/93/374938893.db2.gz MZMHGQBOJFDQOL-SNVBAGLBSA-N 2 1 296.201 3.364 20 0 CGADMP Cc1ccc(C(C)(C)C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469987019 374994153 /nfs/dbraw/zinc/99/41/53/374994153.db2.gz JBGNGJGQBVDEPI-MRXNPFEDSA-N 2 1 274.452 3.204 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000474879066 375128898 /nfs/dbraw/zinc/12/88/98/375128898.db2.gz LYTYWFJWEUKRAP-OKZBNKHCSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483140298 375176265 /nfs/dbraw/zinc/17/62/65/375176265.db2.gz PVTRIOPPNOCKPS-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000474483374 375115505 /nfs/dbraw/zinc/11/55/05/375115505.db2.gz VYSBDYDHGTUYKL-CVEARBPZSA-N 2 1 284.488 3.149 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2CC)C1 ZINC000474631766 375122622 /nfs/dbraw/zinc/12/26/22/375122622.db2.gz OXWLODPXWZBCMT-AWEZNQCLSA-N 2 1 278.415 3.210 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2CC)C1 ZINC000474631766 375122630 /nfs/dbraw/zinc/12/26/30/375122630.db2.gz OXWLODPXWZBCMT-AWEZNQCLSA-N 2 1 278.415 3.210 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2CCSC2)C1 ZINC000487271275 375214898 /nfs/dbraw/zinc/21/48/98/375214898.db2.gz QMBPRFNSPZVYBC-HUUCEWRRSA-N 2 1 284.513 3.230 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2CCSC2)C1 ZINC000487271275 375214902 /nfs/dbraw/zinc/21/49/02/375214902.db2.gz QMBPRFNSPZVYBC-HUUCEWRRSA-N 2 1 284.513 3.230 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000488036129 375297329 /nfs/dbraw/zinc/29/73/29/375297329.db2.gz QQEXSNVKTMWPOP-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000488036129 375297335 /nfs/dbraw/zinc/29/73/35/375297335.db2.gz QQEXSNVKTMWPOP-UHFFFAOYSA-N 2 1 278.415 3.442 20 0 CGADMP CSCc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000188719741 375259136 /nfs/dbraw/zinc/25/91/36/375259136.db2.gz FAAJSXZBHUKKFL-CPUCHLNUSA-N 2 1 292.492 3.368 20 0 CGADMP Cc1cc2cc(C[NH2+]C[C@H](C)C[NH+](C)C)oc2cc1C ZINC000491593783 375334663 /nfs/dbraw/zinc/33/46/63/375334663.db2.gz JNTHZADGVKLSTR-LBPRGKRZSA-N 2 1 274.408 3.337 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000335999327 375605350 /nfs/dbraw/zinc/60/53/50/375605350.db2.gz JEWZDAGKCFOVFK-NYMYAYCPSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000335999327 375605359 /nfs/dbraw/zinc/60/53/59/375605359.db2.gz JEWZDAGKCFOVFK-NYMYAYCPSA-N 2 1 294.389 3.283 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000120979468 542013883 /nfs/dbraw/zinc/01/38/83/542013883.db2.gz MCECMHPZSSCPKB-KRWDZBQOSA-N 2 1 292.373 3.169 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000120925326 542014101 /nfs/dbraw/zinc/01/41/01/542014101.db2.gz GRVPBRWPIYAUOM-MRXNPFEDSA-N 2 1 282.378 3.274 20 0 CGADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000507133013 375677332 /nfs/dbraw/zinc/67/73/32/375677332.db2.gz RNAYFMCITINKRE-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000507133013 375677337 /nfs/dbraw/zinc/67/73/37/375677337.db2.gz RNAYFMCITINKRE-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C1CC1 ZINC000507133013 375677342 /nfs/dbraw/zinc/67/73/42/375677342.db2.gz RNAYFMCITINKRE-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C1CC1 ZINC000507133013 375677346 /nfs/dbraw/zinc/67/73/46/375677346.db2.gz RNAYFMCITINKRE-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000123890232 542030516 /nfs/dbraw/zinc/03/05/16/542030516.db2.gz VVQNAUFBSDJYEF-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000507458994 375704234 /nfs/dbraw/zinc/70/42/34/375704234.db2.gz FEDRHWLZFFYDTB-CVEARBPZSA-N 2 1 289.467 3.417 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC2(C)CC2)C1 ZINC000515578812 375815202 /nfs/dbraw/zinc/81/52/02/375815202.db2.gz VHDMSQBPGXDOMA-ZNMIVQPWSA-N 2 1 250.430 3.124 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192778790 375788127 /nfs/dbraw/zinc/78/81/27/375788127.db2.gz LDKLWAUYHCTWSL-AYHJJNSGSA-N 2 1 286.463 3.487 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336616974 375879172 /nfs/dbraw/zinc/87/91/72/375879172.db2.gz HJQGBNBJHHBRGV-HXSCFSKGSA-N 2 1 250.430 3.028 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1cccs1 ZINC000193473030 375883586 /nfs/dbraw/zinc/88/35/86/375883586.db2.gz MMHYBTVSCJGGPI-CYBMUJFWSA-N 2 1 254.443 3.473 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000193473030 375883592 /nfs/dbraw/zinc/88/35/92/375883592.db2.gz MMHYBTVSCJGGPI-CYBMUJFWSA-N 2 1 254.443 3.473 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000336803864 375952483 /nfs/dbraw/zinc/95/24/83/375952483.db2.gz AITDZDVQTVSANK-HNNXBMFYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000336803864 375952492 /nfs/dbraw/zinc/95/24/92/375952492.db2.gz AITDZDVQTVSANK-HNNXBMFYSA-N 2 1 263.429 3.340 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000336809106 375961425 /nfs/dbraw/zinc/96/14/25/375961425.db2.gz TXJPSJMDNGQOTR-VXGBXAGGSA-N 2 1 278.362 3.134 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000336809106 375961431 /nfs/dbraw/zinc/96/14/31/375961431.db2.gz TXJPSJMDNGQOTR-VXGBXAGGSA-N 2 1 278.362 3.134 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000336809106 375961438 /nfs/dbraw/zinc/96/14/38/375961438.db2.gz TXJPSJMDNGQOTR-VXGBXAGGSA-N 2 1 278.362 3.134 20 0 CGADMP Cc1ccoc1C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336815630 375968675 /nfs/dbraw/zinc/96/86/75/375968675.db2.gz IJQHNUCIUFYMSC-UHFFFAOYSA-N 2 1 261.369 3.005 20 0 CGADMP Cc1ccoc1C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336815630 375968677 /nfs/dbraw/zinc/96/86/77/375968677.db2.gz IJQHNUCIUFYMSC-UHFFFAOYSA-N 2 1 261.369 3.005 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000194277398 375978127 /nfs/dbraw/zinc/97/81/27/375978127.db2.gz KAIRKCZXZUMXMP-GOSISDBHSA-N 2 1 288.435 3.309 20 0 CGADMP C[N@@H+](CCCOc1ccccc1)CCC[NH+]1CCCCC1 ZINC000195632366 376115477 /nfs/dbraw/zinc/11/54/77/376115477.db2.gz WXLSMMKTPYBTQK-UHFFFAOYSA-N 2 1 290.451 3.263 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCC(C)(C)C)CC1 ZINC000535755916 376054351 /nfs/dbraw/zinc/05/43/51/376054351.db2.gz CMWRVCHDDZGYGY-UHFFFAOYSA-N 2 1 298.515 3.493 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C)c1cccc(O)c1)[NH+]1CCCCC1 ZINC000194957986 376064586 /nfs/dbraw/zinc/06/45/86/376064586.db2.gz HHDNSYQRJWILEU-GJZGRUSLSA-N 2 1 276.424 3.307 20 0 CGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)CCOC)CC1)CC(C)C ZINC000536887978 376141612 /nfs/dbraw/zinc/14/16/12/376141612.db2.gz HOSVOMYNRQRUQA-KRWDZBQOSA-N 2 1 298.515 3.491 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCSC)CC1)CC(C)C ZINC000536886239 376141866 /nfs/dbraw/zinc/14/18/66/376141866.db2.gz OZMNRIVBZBNQES-UHFFFAOYSA-N 2 1 286.529 3.429 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1 ZINC000537105592 376147746 /nfs/dbraw/zinc/14/77/46/376147746.db2.gz OCMKMSOEHSKUSV-NVXWUHKLSA-N 2 1 260.425 3.438 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000537939974 376210362 /nfs/dbraw/zinc/21/03/62/376210362.db2.gz NMRIHHJPSXZMBO-HKUYNNGSSA-N 2 1 288.479 3.474 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)C1 ZINC000537296696 376160543 /nfs/dbraw/zinc/16/05/43/376160543.db2.gz YTVQPKUACMRTDN-HZMVEIRTSA-N 2 1 296.499 3.148 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618591 376183498 /nfs/dbraw/zinc/18/34/98/376183498.db2.gz FGLBEXVFHJFSHC-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618591 376183502 /nfs/dbraw/zinc/18/35/02/376183502.db2.gz FGLBEXVFHJFSHC-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618591 376183505 /nfs/dbraw/zinc/18/35/05/376183505.db2.gz FGLBEXVFHJFSHC-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2[C@H](C)CCC[C@H]2C)C[C@H](C)O1 ZINC000537969184 376214532 /nfs/dbraw/zinc/21/45/32/376214532.db2.gz OGHOKWGBBNEYJB-VQHPVUNQSA-N 2 1 296.499 3.290 20 0 CGADMP COc1ccc([C@@H](C)NCCC[N@@H+](C)C(C)C)c(F)c1 ZINC000221910329 376224011 /nfs/dbraw/zinc/22/40/11/376224011.db2.gz UJQUNTTWRTWIJG-CYBMUJFWSA-N 2 1 282.403 3.215 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCc2cc(F)ccc21 ZINC000221908994 376224235 /nfs/dbraw/zinc/22/42/35/376224235.db2.gz ADHAGJYRWMUDQS-MRXNPFEDSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000221908994 376224242 /nfs/dbraw/zinc/22/42/42/376224242.db2.gz ADHAGJYRWMUDQS-MRXNPFEDSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000221908994 376224246 /nfs/dbraw/zinc/22/42/46/376224246.db2.gz ADHAGJYRWMUDQS-MRXNPFEDSA-N 2 1 264.388 3.133 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000226330855 376353514 /nfs/dbraw/zinc/35/35/14/376353514.db2.gz HVDXEKLOAKMFRZ-SGMGOOAPSA-N 2 1 266.816 3.460 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C12CCCC2 ZINC000224589790 376284055 /nfs/dbraw/zinc/28/40/55/376284055.db2.gz GBJUJFGQNBHVAN-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CCc1ccccc1 ZINC000226313057 376350375 /nfs/dbraw/zinc/35/03/75/376350375.db2.gz DAXIHXZFSLTAHI-MRXNPFEDSA-N 2 1 262.441 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000539077055 376292115 /nfs/dbraw/zinc/29/21/15/376292115.db2.gz OSTNZBWOJNVIRM-XHBSWPGZSA-N 2 1 298.833 3.340 20 0 CGADMP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC1 ZINC000225282862 376300184 /nfs/dbraw/zinc/30/01/84/376300184.db2.gz MVSAKEFXABHAJK-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNCc1ncc(Cl)s1 ZINC000225302028 376301333 /nfs/dbraw/zinc/30/13/33/376301333.db2.gz LPSZXNCYPZMYBV-LLVKDONJSA-N 2 1 287.860 3.151 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000226449234 376360252 /nfs/dbraw/zinc/36/02/52/376360252.db2.gz RQNULWWMIGFGEC-CQSZACIVSA-N 2 1 268.351 3.198 20 0 CGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000227188108 376384364 /nfs/dbraw/zinc/38/43/64/376384364.db2.gz QGCBBELWFPJINO-DLBZAZTESA-N 2 1 290.451 3.132 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000228287667 376432682 /nfs/dbraw/zinc/43/26/82/376432682.db2.gz NGCLJSHQRQSYKA-JSGCOSHPSA-N 2 1 272.392 3.300 20 0 CGADMP CS[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000541568400 376459924 /nfs/dbraw/zinc/45/99/24/376459924.db2.gz QEAAKBLVOPEPBV-AAVRWANBSA-N 2 1 272.502 3.082 20 0 CGADMP C[C@H]([NH2+]C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599739 376465928 /nfs/dbraw/zinc/46/59/28/376465928.db2.gz OWRLHYBVVFNCHZ-UONOGXRCSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000541986402 376498993 /nfs/dbraw/zinc/49/89/93/376498993.db2.gz PBLOILRTKTZOSC-SJORKVTESA-N 2 1 286.463 3.065 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338790890 376537624 /nfs/dbraw/zinc/53/76/24/376537624.db2.gz JIHRFMLEDBNFBV-BMGDILEWSA-N 2 1 270.420 3.030 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000230991809 376548569 /nfs/dbraw/zinc/54/85/69/376548569.db2.gz NMXKFXBMNFSYMV-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCC[C@H]1CN1CCCC1)C2 ZINC000542914279 376589574 /nfs/dbraw/zinc/58/95/74/376589574.db2.gz DPXAUZJVLFGCHF-XLIONFOSSA-N 2 1 298.474 3.352 20 0 CGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868743 542085559 /nfs/dbraw/zinc/08/55/59/542085559.db2.gz YYIJCZWGMKHSLZ-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134868743 542085561 /nfs/dbraw/zinc/08/55/61/542085561.db2.gz YYIJCZWGMKHSLZ-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134868743 542085563 /nfs/dbraw/zinc/08/55/63/542085563.db2.gz YYIJCZWGMKHSLZ-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000236001404 376658029 /nfs/dbraw/zinc/65/80/29/376658029.db2.gz NRLDGTMBZTZWRC-SQWLQELKSA-N 2 1 278.827 3.208 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000155307029 542123123 /nfs/dbraw/zinc/12/31/23/542123123.db2.gz SCLRWBLJPPMIEV-CKEIUWERSA-N 2 1 290.426 3.176 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000245532879 376844410 /nfs/dbraw/zinc/84/44/10/376844410.db2.gz IMVLDMJJYGCLDP-JYJNAYRXSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000245532879 376844420 /nfs/dbraw/zinc/84/44/20/376844420.db2.gz IMVLDMJJYGCLDP-JYJNAYRXSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000245532879 376844427 /nfs/dbraw/zinc/84/44/27/376844427.db2.gz IMVLDMJJYGCLDP-JYJNAYRXSA-N 2 1 252.446 3.086 20 0 CGADMP COc1ccccc1C[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245605671 376867791 /nfs/dbraw/zinc/86/77/91/376867791.db2.gz JZZFCDXICVDPED-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245605671 376867799 /nfs/dbraw/zinc/86/77/99/376867799.db2.gz JZZFCDXICVDPED-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245605671 376867812 /nfs/dbraw/zinc/86/78/12/376867812.db2.gz JZZFCDXICVDPED-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000245769526 376905386 /nfs/dbraw/zinc/90/53/86/376905386.db2.gz RLZILHFKNLCFCQ-DZKIICNBSA-N 2 1 276.424 3.177 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000246046873 376956639 /nfs/dbraw/zinc/95/66/39/376956639.db2.gz XRYFCPHCBKXVPO-RKVPGOIHSA-N 2 1 272.436 3.160 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000558696880 377033680 /nfs/dbraw/zinc/03/36/80/377033680.db2.gz KNPFSZLJDXKKPE-RCCFBDPRSA-N 2 1 272.436 3.417 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000558256507 376991600 /nfs/dbraw/zinc/99/16/00/376991600.db2.gz ISLKRSGGASWDBW-IXDOHACOSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000558256507 376991601 /nfs/dbraw/zinc/99/16/01/376991601.db2.gz ISLKRSGGASWDBW-IXDOHACOSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(C)CC2)[C@@H](C)C1 ZINC000246882495 377109524 /nfs/dbraw/zinc/10/95/24/377109524.db2.gz DZYZUELPXZMHMR-GRAKBVBRSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246947686 377124076 /nfs/dbraw/zinc/12/40/76/377124076.db2.gz HYIPRBZYXNGQLM-IRXDYDNUSA-N 2 1 274.452 3.227 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246813679 377093960 /nfs/dbraw/zinc/09/39/60/377093960.db2.gz AVGQUIMHPIPWQE-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000246829588 377099586 /nfs/dbraw/zinc/09/95/86/377099586.db2.gz AJRYGMBUXRQASN-YOEHRIQHSA-N 2 1 292.442 3.423 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C)c2C)C1 ZINC000246844739 377102830 /nfs/dbraw/zinc/10/28/30/377102830.db2.gz CHWVYIRYHLASJU-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000247304930 377191973 /nfs/dbraw/zinc/19/19/73/377191973.db2.gz PTMLBGAQXWWROJ-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP CCS[C@H]1CCCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000247304930 377191984 /nfs/dbraw/zinc/19/19/84/377191984.db2.gz PTMLBGAQXWWROJ-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP CCS[C@H]1CCCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000247304930 377191995 /nfs/dbraw/zinc/19/19/95/377191995.db2.gz PTMLBGAQXWWROJ-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000247061676 377149967 /nfs/dbraw/zinc/14/99/67/377149967.db2.gz PNGATHWWDAZYIU-YFHUEUNASA-N 2 1 274.452 3.499 20 0 CGADMP CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247081964 377154114 /nfs/dbraw/zinc/15/41/14/377154114.db2.gz QLYGJKFYNIAIML-RDJZCZTQSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247081964 377154120 /nfs/dbraw/zinc/15/41/20/377154120.db2.gz QLYGJKFYNIAIML-RDJZCZTQSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247081964 377154124 /nfs/dbraw/zinc/15/41/24/377154124.db2.gz QLYGJKFYNIAIML-RDJZCZTQSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247081964 377154128 /nfs/dbraw/zinc/15/41/28/377154128.db2.gz QLYGJKFYNIAIML-RDJZCZTQSA-N 2 1 290.451 3.247 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247075909 377154395 /nfs/dbraw/zinc/15/43/95/377154395.db2.gz QMIGUHCRDJAWNC-UXLLHSPISA-N 2 1 260.425 3.253 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247131921 377165134 /nfs/dbraw/zinc/16/51/34/377165134.db2.gz VNAUBWHAPZQMRS-SOLBZPMBSA-N 2 1 290.451 3.082 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000247138994 377167814 /nfs/dbraw/zinc/16/78/14/377167814.db2.gz WCGYZLMVIVQTOH-YJBOKZPZSA-N 2 1 272.436 3.384 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000247152996 377169288 /nfs/dbraw/zinc/16/92/88/377169288.db2.gz RPNQZCIZWISPEX-DCGLDWPTSA-N 2 1 296.405 3.388 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000247202485 377176900 /nfs/dbraw/zinc/17/69/00/377176900.db2.gz VBXVFHIJGQPCKE-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247222219 377179440 /nfs/dbraw/zinc/17/94/40/377179440.db2.gz XTCMPPAMGBQARI-NJAFHUGGSA-N 2 1 274.452 3.499 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000247221292 377180055 /nfs/dbraw/zinc/18/00/55/377180055.db2.gz RFSWDTGQXOZOFC-WMZOPIPTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000247221292 377180065 /nfs/dbraw/zinc/18/00/65/377180065.db2.gz RFSWDTGQXOZOFC-WMZOPIPTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000247221292 377180081 /nfs/dbraw/zinc/18/00/81/377180081.db2.gz RFSWDTGQXOZOFC-WMZOPIPTSA-N 2 1 274.452 3.200 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000247236136 377182383 /nfs/dbraw/zinc/18/23/83/377182383.db2.gz YOUOSDUJJQUKSZ-DOTOQJQBSA-N 2 1 274.452 3.284 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1C ZINC000561395729 377225050 /nfs/dbraw/zinc/22/50/50/377225050.db2.gz LKDQUCJKGLSCNW-WBVHZDCISA-N 2 1 290.451 3.084 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000561395729 377225067 /nfs/dbraw/zinc/22/50/67/377225067.db2.gz LKDQUCJKGLSCNW-WBVHZDCISA-N 2 1 290.451 3.084 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000561395729 377225077 /nfs/dbraw/zinc/22/50/77/377225077.db2.gz LKDQUCJKGLSCNW-WBVHZDCISA-N 2 1 290.451 3.084 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247983903 377252878 /nfs/dbraw/zinc/25/28/78/377252878.db2.gz IQQKWOYMQXWLAJ-UNEWFSDZSA-N 2 1 276.399 3.303 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCCC2)[C@H](C)C1 ZINC000248011424 377258374 /nfs/dbraw/zinc/25/83/74/377258374.db2.gz LIPDEIPEYLTSKD-NUJGCVRESA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000248067717 377263375 /nfs/dbraw/zinc/26/33/75/377263375.db2.gz ZTQWMMAKAOOYPJ-IEZWGBDMSA-N 2 1 286.463 3.426 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248411475 377313619 /nfs/dbraw/zinc/31/36/19/377313619.db2.gz ZHOJMPPBVXDSDN-IXYNUQLISA-N 2 1 263.429 3.242 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000248430171 377318499 /nfs/dbraw/zinc/31/84/99/377318499.db2.gz VLZIYIZLLCKARV-KMFMINBZSA-N 2 1 275.440 3.410 20 0 CGADMP Cc1ccc(CCC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000248477988 377328790 /nfs/dbraw/zinc/32/87/90/377328790.db2.gz ZABNKUCVULRZAZ-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000248477988 377328798 /nfs/dbraw/zinc/32/87/98/377328798.db2.gz ZABNKUCVULRZAZ-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000248477988 377328803 /nfs/dbraw/zinc/32/88/03/377328803.db2.gz ZABNKUCVULRZAZ-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000248477988 377328808 /nfs/dbraw/zinc/32/88/08/377328808.db2.gz ZABNKUCVULRZAZ-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000248477988 377328811 /nfs/dbraw/zinc/32/88/11/377328811.db2.gz ZABNKUCVULRZAZ-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC000562090045 377275387 /nfs/dbraw/zinc/27/53/87/377275387.db2.gz ODQMXAKZVNDSHT-GJZGRUSLSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC000562090045 377275391 /nfs/dbraw/zinc/27/53/91/377275391.db2.gz ODQMXAKZVNDSHT-GJZGRUSLSA-N 2 1 280.431 3.465 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCOC)CCCCC2)[C@@H](C)C1 ZINC000248563787 377349345 /nfs/dbraw/zinc/34/93/45/377349345.db2.gz NXEWZTRDRHRNJE-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000341173052 377430132 /nfs/dbraw/zinc/43/01/32/377430132.db2.gz DYAADNUCJHNYIQ-UHFFFAOYSA-N 2 1 281.469 3.040 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCCc3occc32)C1 ZINC000248999627 377442107 /nfs/dbraw/zinc/44/21/07/377442107.db2.gz QCMOPTCACKXNAZ-ZBFHGGJFSA-N 2 1 276.424 3.367 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000248999627 377442113 /nfs/dbraw/zinc/44/21/13/377442113.db2.gz QCMOPTCACKXNAZ-ZBFHGGJFSA-N 2 1 276.424 3.367 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000248999627 377442125 /nfs/dbraw/zinc/44/21/25/377442125.db2.gz QCMOPTCACKXNAZ-ZBFHGGJFSA-N 2 1 276.424 3.367 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCC2CC2)C1 ZINC000249042046 377448869 /nfs/dbraw/zinc/44/88/69/377448869.db2.gz VFDJDHGWPARZGL-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000249090395 377460364 /nfs/dbraw/zinc/46/03/64/377460364.db2.gz UOBHWIFAYXZQJO-RDJZCZTQSA-N 2 1 260.425 3.411 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000249090395 377460370 /nfs/dbraw/zinc/46/03/70/377460370.db2.gz UOBHWIFAYXZQJO-RDJZCZTQSA-N 2 1 260.425 3.411 20 0 CGADMP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000249193570 377476928 /nfs/dbraw/zinc/47/69/28/377476928.db2.gz AMIKAJMZDSCWPR-IJEWVQPXSA-N 2 1 296.480 3.003 20 0 CGADMP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000249193570 377476933 /nfs/dbraw/zinc/47/69/33/377476933.db2.gz AMIKAJMZDSCWPR-IJEWVQPXSA-N 2 1 296.480 3.003 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249406086 377499423 /nfs/dbraw/zinc/49/94/23/377499423.db2.gz WOPXYSSDSQMJMQ-XQQFMLRXSA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249406086 377499428 /nfs/dbraw/zinc/49/94/28/377499428.db2.gz WOPXYSSDSQMJMQ-XQQFMLRXSA-N 2 1 280.378 3.427 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250098510 377550314 /nfs/dbraw/zinc/55/03/14/377550314.db2.gz DYCATMNNKBJIIA-DCGLDWPTSA-N 2 1 274.383 3.029 20 0 CGADMP Clc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250761304 377565848 /nfs/dbraw/zinc/56/58/48/377565848.db2.gz IHRBHEJOQNSIAN-NEPJUHHUSA-N 2 1 270.829 3.118 20 0 CGADMP CCC(CC)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459474937 249151154 /nfs/dbraw/zinc/15/11/54/249151154.db2.gz ZZPDPOGWNWRFKY-FUHWJXTLSA-N 2 1 294.483 3.187 20 0 CGADMP Clc1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250761304 377565855 /nfs/dbraw/zinc/56/58/55/377565855.db2.gz IHRBHEJOQNSIAN-NEPJUHHUSA-N 2 1 270.829 3.118 20 0 CGADMP CCC[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000469887400 249161415 /nfs/dbraw/zinc/16/14/15/249161415.db2.gz GAOLVHYEPXJTHP-XDNAFOTISA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@@H]1C[N@H+](CC(C)(C)N)CC[C@@H]1c1ccccc1 ZINC000469987881 249164810 /nfs/dbraw/zinc/16/48/10/249164810.db2.gz XOUWPGFYOAQDTF-ZBFHGGJFSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@@H]1C[N@@H+](CC(C)(C)N)CC[C@@H]1c1ccccc1 ZINC000469987881 249164813 /nfs/dbraw/zinc/16/48/13/249164813.db2.gz XOUWPGFYOAQDTF-ZBFHGGJFSA-N 2 1 260.425 3.239 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250997194 377571074 /nfs/dbraw/zinc/57/10/74/377571074.db2.gz HVVQQOCDGZYIGP-HOTGVXAUSA-N 2 1 258.409 3.020 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cncnc2C)c1 ZINC000514680005 249185057 /nfs/dbraw/zinc/18/50/57/249185057.db2.gz VBDKKKFVRJECRD-CQSZACIVSA-N 2 1 298.434 3.088 20 0 CGADMP Cc1cnc(C)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000573815132 377582087 /nfs/dbraw/zinc/58/20/87/377582087.db2.gz MBTNUVOHABROQX-WMLDXEAASA-N 2 1 296.418 3.168 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC000516054598 249224823 /nfs/dbraw/zinc/22/48/23/249224823.db2.gz VLCIWCBZMIUARS-LSDHHAIUSA-N 2 1 287.382 3.081 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000518844077 249287572 /nfs/dbraw/zinc/28/75/72/249287572.db2.gz MYJSTGZNQNOBLD-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000518844077 249287574 /nfs/dbraw/zinc/28/75/74/249287574.db2.gz MYJSTGZNQNOBLD-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000251853223 377600194 /nfs/dbraw/zinc/60/01/94/377600194.db2.gz PESPZRFHXFGCNR-SWCHFVSRSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1C ZINC000251996935 377611151 /nfs/dbraw/zinc/61/11/51/377611151.db2.gz ZQUPBDWQWBMYPN-LJIZCISZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1C ZINC000251996935 377611158 /nfs/dbraw/zinc/61/11/58/377611158.db2.gz ZQUPBDWQWBMYPN-LJIZCISZSA-N 2 1 250.430 3.028 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673710 377650016 /nfs/dbraw/zinc/65/00/16/377650016.db2.gz LHIDREUVEZNFMW-GJZGRUSLSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252673710 377650023 /nfs/dbraw/zinc/65/00/23/377650023.db2.gz LHIDREUVEZNFMW-GJZGRUSLSA-N 2 1 298.352 3.422 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674344 377650227 /nfs/dbraw/zinc/65/02/27/377650227.db2.gz QHXFMWUVDHBFMK-SJORKVTESA-N 2 1 258.409 3.020 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697909 377652623 /nfs/dbraw/zinc/65/26/23/377652623.db2.gz KEBVNNCGRZOULH-IJLUTSLNSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697909 377652625 /nfs/dbraw/zinc/65/26/25/377652625.db2.gz KEBVNNCGRZOULH-IJLUTSLNSA-N 2 1 297.240 3.179 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252696247 377652703 /nfs/dbraw/zinc/65/27/03/377652703.db2.gz XPNNCCJRQKSMAK-BQFCYCMXSA-N 2 1 272.436 3.472 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252696247 377652706 /nfs/dbraw/zinc/65/27/06/377652706.db2.gz XPNNCCJRQKSMAK-BQFCYCMXSA-N 2 1 272.436 3.472 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000252893655 377669391 /nfs/dbraw/zinc/66/93/91/377669391.db2.gz RFVZMEFQLGEEDO-SMDDNHRTSA-N 2 1 286.341 3.135 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000342608499 377687584 /nfs/dbraw/zinc/68/75/84/377687584.db2.gz YGOPSJFJOOYEGI-GOSISDBHSA-N 2 1 281.403 3.343 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000342608499 377687589 /nfs/dbraw/zinc/68/75/89/377687589.db2.gz YGOPSJFJOOYEGI-GOSISDBHSA-N 2 1 281.403 3.343 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000574997922 377736479 /nfs/dbraw/zinc/73/64/79/377736479.db2.gz BZUNAFGSHSYLJR-NCOADZHNSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@]1(C[N@H+]2CC[C@H](CSc3ccccc3)C2)CC[NH2+]C1 ZINC000261681794 377840227 /nfs/dbraw/zinc/84/02/27/377840227.db2.gz AHOMJCLNZLWRNG-DOTOQJQBSA-N 2 1 290.476 3.100 20 0 CGADMP c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCC[NH2+]C2)cc1 ZINC000261630970 377829803 /nfs/dbraw/zinc/82/98/03/377829803.db2.gz CNLPRNWHKLNVFI-KANFNMMFSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261660383 377835977 /nfs/dbraw/zinc/83/59/77/377835977.db2.gz ZYHZLFPNTUMSDR-KBPBESRZSA-N 2 1 272.392 3.425 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261940803 377870749 /nfs/dbraw/zinc/87/07/49/377870749.db2.gz MRQCSVPOWCQQEV-NOLJZWGESA-N 2 1 278.827 3.072 20 0 CGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000261950790 377870876 /nfs/dbraw/zinc/87/08/76/377870876.db2.gz NYNLEOOMUHWUNW-AWEZNQCLSA-N 2 1 252.377 3.192 20 0 CGADMP C[C@H](C[N@@H+](C)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000261948550 377871207 /nfs/dbraw/zinc/87/12/07/377871207.db2.gz NOOHXQLLXOJDNI-GFCCVEGCSA-N 2 1 266.816 3.127 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cc2s1 ZINC000261977957 377873999 /nfs/dbraw/zinc/87/39/99/377873999.db2.gz QXXMWOXPRLVJGB-SMDDNHRTSA-N 2 1 289.448 3.164 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000262458944 377898717 /nfs/dbraw/zinc/89/87/17/377898717.db2.gz IKKJYAFTULJTEZ-UXHICEINSA-N 2 1 292.426 3.395 20 0 CGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@]1(C)CC[NH2+]C1 ZINC000262141054 377888232 /nfs/dbraw/zinc/88/82/32/377888232.db2.gz ZBLOMWGYMQPOGP-LJQANCHMSA-N 2 1 282.431 3.314 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC000262405580 377896659 /nfs/dbraw/zinc/89/66/59/377896659.db2.gz CRBSJWLWMNDRKQ-GOEBONIOSA-N 2 1 298.430 3.265 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261749288 377849085 /nfs/dbraw/zinc/84/90/85/377849085.db2.gz CCPFOZCXUSFNAY-OAHLLOKOSA-N 2 1 288.435 3.036 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183194956 542229293 /nfs/dbraw/zinc/22/92/93/542229293.db2.gz CLMQQKNJMQBDAD-VNHYZAJKSA-N 2 1 290.455 3.022 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183194956 542229296 /nfs/dbraw/zinc/22/92/96/542229296.db2.gz CLMQQKNJMQBDAD-VNHYZAJKSA-N 2 1 290.455 3.022 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261868819 377861502 /nfs/dbraw/zinc/86/15/02/377861502.db2.gz YQYQQPXZSTZJHP-WBVHZDCISA-N 2 1 272.436 3.168 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000268843204 378129111 /nfs/dbraw/zinc/12/91/11/378129111.db2.gz ILFXQBLZTKWGFK-AWEZNQCLSA-N 2 1 294.402 3.481 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC000268849360 378130381 /nfs/dbraw/zinc/13/03/81/378130381.db2.gz PMAYDWQDAUHSEV-PBHICJAKSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000268898310 378145608 /nfs/dbraw/zinc/14/56/08/378145608.db2.gz VZZZRHRAAZLXBT-AWEZNQCLSA-N 2 1 289.398 3.332 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268708967 378094492 /nfs/dbraw/zinc/09/44/92/378094492.db2.gz JHTVCXMMNDOPAF-UXLLHSPISA-N 2 1 260.425 3.428 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268708967 378094494 /nfs/dbraw/zinc/09/44/94/378094494.db2.gz JHTVCXMMNDOPAF-UXLLHSPISA-N 2 1 260.425 3.428 20 0 CGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]CC2(C)CC2)C1 ZINC000579787097 378194426 /nfs/dbraw/zinc/19/44/26/378194426.db2.gz UCRGNEXRLJWXEB-KBPBESRZSA-N 2 1 252.446 3.133 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000268932998 378156378 /nfs/dbraw/zinc/15/63/78/378156378.db2.gz SXUZLBHSJJEPLH-GUYCJALGSA-N 2 1 299.418 3.113 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000579473293 378164232 /nfs/dbraw/zinc/16/42/32/378164232.db2.gz OQVDXTDTOCMBGE-MRXNPFEDSA-N 2 1 293.480 3.362 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000579473293 378164238 /nfs/dbraw/zinc/16/42/38/378164238.db2.gz OQVDXTDTOCMBGE-MRXNPFEDSA-N 2 1 293.480 3.362 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@H](C)C3(C)CC3)CC2)[nH+]1 ZINC000345052859 378182703 /nfs/dbraw/zinc/18/27/03/378182703.db2.gz DNTWFUQCFDABFY-CQSZACIVSA-N 2 1 273.424 3.137 20 0 CGADMP Cc1cccc2c(NC[C@H]3CC[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000582214902 378293493 /nfs/dbraw/zinc/29/34/93/378293493.db2.gz MIGZCESGBQOZAA-OAHLLOKOSA-N 2 1 295.430 3.170 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580363742 378245256 /nfs/dbraw/zinc/24/52/56/378245256.db2.gz LXNIHYWPBFLQIZ-NTQSIJHJSA-N 2 1 278.465 3.236 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580363742 378245260 /nfs/dbraw/zinc/24/52/60/378245260.db2.gz LXNIHYWPBFLQIZ-NTQSIJHJSA-N 2 1 278.465 3.236 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000583508078 378328422 /nfs/dbraw/zinc/32/84/22/378328422.db2.gz ZNXVFTOUSMCHGG-HUUCEWRRSA-N 2 1 278.465 3.207 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCc1ccc(F)cc1Cl ZINC000583804777 378349432 /nfs/dbraw/zinc/34/94/32/378349432.db2.gz BHCJSEUALDRWIA-BLLLJJGKSA-N 2 1 298.833 3.294 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCc1ccc(F)cc1Cl ZINC000583804777 378349434 /nfs/dbraw/zinc/34/94/34/378349434.db2.gz BHCJSEUALDRWIA-BLLLJJGKSA-N 2 1 298.833 3.294 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCc1ccc(F)cc1Cl ZINC000583804777 378349437 /nfs/dbraw/zinc/34/94/37/378349437.db2.gz BHCJSEUALDRWIA-BLLLJJGKSA-N 2 1 298.833 3.294 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000583804777 378349442 /nfs/dbraw/zinc/34/94/42/378349442.db2.gz BHCJSEUALDRWIA-BLLLJJGKSA-N 2 1 298.833 3.294 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000270686803 378387089 /nfs/dbraw/zinc/38/70/89/378387089.db2.gz WJBGTWBEBSSFSL-UHFFFAOYSA-N 2 1 271.408 3.492 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000270686803 378387096 /nfs/dbraw/zinc/38/70/96/378387096.db2.gz WJBGTWBEBSSFSL-UHFFFAOYSA-N 2 1 271.408 3.492 20 0 CGADMP CC[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346133090 378475586 /nfs/dbraw/zinc/47/55/86/378475586.db2.gz MHVNJWAXAACAMA-HNNXBMFYSA-N 2 1 284.407 3.198 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC[C@H]2CCO2)C1 ZINC000637978352 378655903 /nfs/dbraw/zinc/65/59/03/378655903.db2.gz NUTTWYUVQPEOSU-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC[C@H]2CCO2)C1 ZINC000637978352 378655908 /nfs/dbraw/zinc/65/59/08/378655908.db2.gz NUTTWYUVQPEOSU-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000637978352 378655914 /nfs/dbraw/zinc/65/59/14/378655914.db2.gz NUTTWYUVQPEOSU-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]([NH2+]C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272574685 378668972 /nfs/dbraw/zinc/66/89/72/378668972.db2.gz VNRBNCWWTPWJAD-RDJZCZTQSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346849978 378695248 /nfs/dbraw/zinc/69/52/48/378695248.db2.gz HIOSRQXLPQAOPN-DOTOQJQBSA-N 2 1 258.409 3.132 20 0 CGADMP CC(C)CCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000346631789 378652912 /nfs/dbraw/zinc/65/29/12/378652912.db2.gz DOLAOIJYTYGJFQ-UHFFFAOYSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000347999284 378749051 /nfs/dbraw/zinc/74/90/51/378749051.db2.gz CYCIJXQIEULXTJ-LLVKDONJSA-N 2 1 292.452 3.296 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCCc1cnccc1C ZINC000348011012 378753953 /nfs/dbraw/zinc/75/39/53/378753953.db2.gz KLBLNSFYWMBZRJ-SFHVURJKSA-N 2 1 289.467 3.177 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCCc1cnccc1C ZINC000348011012 378753963 /nfs/dbraw/zinc/75/39/63/378753963.db2.gz KLBLNSFYWMBZRJ-SFHVURJKSA-N 2 1 289.467 3.177 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181246 378724505 /nfs/dbraw/zinc/72/45/05/378724505.db2.gz YGHZXAQKFORIDT-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181246 378724508 /nfs/dbraw/zinc/72/45/08/378724508.db2.gz YGHZXAQKFORIDT-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181246 378724513 /nfs/dbraw/zinc/72/45/13/378724513.db2.gz YGHZXAQKFORIDT-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP CC[C@@](C)(C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)OC ZINC000638365562 378779231 /nfs/dbraw/zinc/77/92/31/378779231.db2.gz INTNABXZXICALJ-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638365595 378779251 /nfs/dbraw/zinc/77/92/51/378779251.db2.gz GFAIHNCADCXFHI-CQSZACIVSA-N 2 1 291.439 3.154 20 0 CGADMP CO[C@](C)(C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000638365750 378779666 /nfs/dbraw/zinc/77/96/66/378779666.db2.gz HNBGGGKNKZNFTI-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC1CCOCC1 ZINC000638366480 378781283 /nfs/dbraw/zinc/78/12/83/378781283.db2.gz PQAODSVQAVPGAN-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CCC[N@@H+](CCc1cccs1)CCn1cc[nH+]c1C ZINC000274338197 378813925 /nfs/dbraw/zinc/81/39/25/378813925.db2.gz TUKDSXIVTUVMFU-UHFFFAOYSA-N 2 1 277.437 3.208 20 0 CGADMP CCC[N@H+](CCc1cccs1)CCn1cc[nH+]c1C ZINC000274338197 378813930 /nfs/dbraw/zinc/81/39/30/378813930.db2.gz TUKDSXIVTUVMFU-UHFFFAOYSA-N 2 1 277.437 3.208 20 0 CGADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346825912 218026996 /nfs/dbraw/zinc/02/69/96/218026996.db2.gz HAOMQZHOEDFDAZ-SFHVURJKSA-N 2 1 274.452 3.187 20 0 CGADMP C(C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C[C@@H]1CCO1 ZINC000638521626 378825016 /nfs/dbraw/zinc/82/50/16/378825016.db2.gz CLIGJHAZWMDDCK-ZWKOTPCHSA-N 2 1 294.483 3.190 20 0 CGADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000274469958 378837182 /nfs/dbraw/zinc/83/71/82/378837182.db2.gz VILRPYZPHGJAFD-ZFWWWQNUSA-N 2 1 278.465 3.371 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638756068 378900050 /nfs/dbraw/zinc/90/00/50/378900050.db2.gz DQIFZESOQCKEHK-WBVHZDCISA-N 2 1 276.399 3.304 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638756068 378900053 /nfs/dbraw/zinc/90/00/53/378900053.db2.gz DQIFZESOQCKEHK-WBVHZDCISA-N 2 1 276.399 3.304 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638756066 378900378 /nfs/dbraw/zinc/90/03/78/378900378.db2.gz DQIFZESOQCKEHK-NVXWUHKLSA-N 2 1 276.399 3.304 20 0 CGADMP FCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638756066 378900382 /nfs/dbraw/zinc/90/03/82/378900382.db2.gz DQIFZESOQCKEHK-NVXWUHKLSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000275042718 378928870 /nfs/dbraw/zinc/92/88/70/378928870.db2.gz YWENSCVSGBMUJU-NSHDSACASA-N 2 1 295.789 3.410 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H]2CCC[NH2+]C2)s1 ZINC000346976816 218075994 /nfs/dbraw/zinc/07/59/94/218075994.db2.gz KBVRBILCAXGHGO-STQMWFEESA-N 2 1 281.469 3.006 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)s1 ZINC000346976816 218075995 /nfs/dbraw/zinc/07/59/95/218075995.db2.gz KBVRBILCAXGHGO-STQMWFEESA-N 2 1 281.469 3.006 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346996296 218085882 /nfs/dbraw/zinc/08/58/82/218085882.db2.gz WKAGDAWXFVLJLP-SJLPKXTDSA-N 2 1 272.436 3.440 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274933622 378921463 /nfs/dbraw/zinc/92/14/63/378921463.db2.gz RKSUPZVRATYAST-ZOBUZTSGSA-N 2 1 292.492 3.238 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(C)c1OC(F)F ZINC000347051868 218105967 /nfs/dbraw/zinc/10/59/67/218105967.db2.gz RQCIGXDXORHSKJ-TZMCWYRMSA-N 2 1 298.377 3.074 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000347060946 218107967 /nfs/dbraw/zinc/10/79/67/218107967.db2.gz YGOPFXCQJNFDSO-OCCSQVGLSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000278584403 194055393 /nfs/dbraw/zinc/05/53/93/194055393.db2.gz QEUIAFDRUDMISM-ZFWWWQNUSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000278584403 194055396 /nfs/dbraw/zinc/05/53/96/194055396.db2.gz QEUIAFDRUDMISM-ZFWWWQNUSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1cc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)oc1C ZINC000370306617 379005420 /nfs/dbraw/zinc/00/54/20/379005420.db2.gz WOTBHZHFVWONCR-AEGPPILISA-N 2 1 262.397 3.174 20 0 CGADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347132761 218132640 /nfs/dbraw/zinc/13/26/40/218132640.db2.gz RNKNLJDDVAUXKO-WDFJATGCSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347132778 218132935 /nfs/dbraw/zinc/13/29/35/218132935.db2.gz RNKNLJDDVAUXKO-YFVFXCHESA-N 2 1 250.430 3.028 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370670551 379049050 /nfs/dbraw/zinc/04/90/50/379049050.db2.gz DRVXAVGPFMJIDJ-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP CN(CCC[N@@H+](C)CC1(C)CCC1)Cc1ccco1 ZINC000348808423 379061587 /nfs/dbraw/zinc/06/15/87/379061587.db2.gz LDPUXUHWRDPIMF-UHFFFAOYSA-N 2 1 264.413 3.224 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639169594 379089743 /nfs/dbraw/zinc/08/97/43/379089743.db2.gz GQFHJDMJOSCETD-NEPXVJNWSA-N 2 1 286.463 3.499 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000277249201 379110403 /nfs/dbraw/zinc/11/04/03/379110403.db2.gz QDVIIVBDPDQHFH-CQSZACIVSA-N 2 1 298.377 3.204 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000277249201 379110409 /nfs/dbraw/zinc/11/04/09/379110409.db2.gz QDVIIVBDPDQHFH-CQSZACIVSA-N 2 1 298.377 3.204 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639217704 379153762 /nfs/dbraw/zinc/15/37/62/379153762.db2.gz JVKFFYJMIFQPKT-IHRRRGAJSA-N 2 1 274.399 3.130 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000277553732 379187103 /nfs/dbraw/zinc/18/71/03/379187103.db2.gz RESJYVOMTNLKHQ-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP CO[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000639244638 379187951 /nfs/dbraw/zinc/18/79/51/379187951.db2.gz NLOIUJZMOSVJRJ-KRWDZBQOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[C@@H](C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000569039530 322232633 /nfs/dbraw/zinc/23/26/33/322232633.db2.gz ZYJPGXYGSOIJEU-QGZVFWFLSA-N 2 1 262.441 3.310 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000373519166 379292592 /nfs/dbraw/zinc/29/25/92/379292592.db2.gz FBGYTBCMSYJIBM-ODIFPOPNSA-N 2 1 288.435 3.363 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373519166 379292604 /nfs/dbraw/zinc/29/26/04/379292604.db2.gz FBGYTBCMSYJIBM-ODIFPOPNSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(F)c1F ZINC000278916508 194210496 /nfs/dbraw/zinc/21/04/96/194210496.db2.gz HJGWPYSRVJSXFN-NEPJUHHUSA-N 2 1 291.345 3.075 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000278397582 379373062 /nfs/dbraw/zinc/37/30/62/379373062.db2.gz FIQJYUADCJSSOY-RJCAOGMDSA-N 2 1 276.399 3.144 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278951109 194226372 /nfs/dbraw/zinc/22/63/72/194226372.db2.gz LKBUCVMPGCCJGP-CABCVRRESA-N 2 1 269.392 3.105 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278941478 194222395 /nfs/dbraw/zinc/22/23/95/194222395.db2.gz KIPHTQLMHVOBQK-LSDHHAIUSA-N 2 1 299.418 3.195 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639505691 379440080 /nfs/dbraw/zinc/44/00/80/379440080.db2.gz RPJMMHNBAFSPKT-KRWDZBQOSA-N 2 1 289.467 3.171 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639505691 379440087 /nfs/dbraw/zinc/44/00/87/379440087.db2.gz RPJMMHNBAFSPKT-KRWDZBQOSA-N 2 1 289.467 3.171 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000374318467 379418135 /nfs/dbraw/zinc/41/81/35/379418135.db2.gz XYZYMEDIMADQPS-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C)cc(C)nc1C ZINC000639543943 379465326 /nfs/dbraw/zinc/46/53/26/379465326.db2.gz RFSQABMISDMQRJ-UHFFFAOYSA-N 2 1 286.423 3.034 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C)cc(C)nc1C ZINC000639543943 379465329 /nfs/dbraw/zinc/46/53/29/379465329.db2.gz RFSQABMISDMQRJ-UHFFFAOYSA-N 2 1 286.423 3.034 20 0 CGADMP Cc1cc(C)c(CN2CCC3(CCC[N@@H+]3C)CC2)c(C)n1 ZINC000639558598 379471451 /nfs/dbraw/zinc/47/14/51/379471451.db2.gz GUYVMBSMHVFNCP-UHFFFAOYSA-N 2 1 287.451 3.067 20 0 CGADMP Cc1ccncc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000279840804 379531689 /nfs/dbraw/zinc/53/16/89/379531689.db2.gz HOTMCAZSDVVGOF-MRXNPFEDSA-N 2 1 275.440 3.134 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000376739798 379598513 /nfs/dbraw/zinc/59/85/13/379598513.db2.gz MKXURZYYZABLRU-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCCc3ccsc3)C2)CC1 ZINC000639756892 379569081 /nfs/dbraw/zinc/56/90/81/379569081.db2.gz DSCDJOQZQYFBDN-UHFFFAOYSA-N 2 1 278.465 3.098 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000351595441 379729775 /nfs/dbraw/zinc/72/97/75/379729775.db2.gz KSVPQSKQGCZIIZ-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCCO1 ZINC000351595441 379729781 /nfs/dbraw/zinc/72/97/81/379729781.db2.gz KSVPQSKQGCZIIZ-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000351595441 379729789 /nfs/dbraw/zinc/72/97/89/379729789.db2.gz KSVPQSKQGCZIIZ-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP CCC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000347730109 218337712 /nfs/dbraw/zinc/33/77/12/218337712.db2.gz CCLRWDAYDYZMSK-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000347730109 218337716 /nfs/dbraw/zinc/33/77/16/218337716.db2.gz CCLRWDAYDYZMSK-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347730109 218337717 /nfs/dbraw/zinc/33/77/17/218337717.db2.gz CCLRWDAYDYZMSK-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000347730109 218337720 /nfs/dbraw/zinc/33/77/20/218337720.db2.gz CCLRWDAYDYZMSK-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280425431 379704363 /nfs/dbraw/zinc/70/43/63/379704363.db2.gz ZQVXUEGYSFMVCG-QGZVFWFLSA-N 2 1 275.440 3.244 20 0 CGADMP CC[C@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352370350 379784386 /nfs/dbraw/zinc/78/43/86/379784386.db2.gz ZWHANXNLFZTPFG-ZDUSSCGKSA-N 2 1 262.397 3.279 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1c(F)cccc1Cl ZINC000352503754 379838358 /nfs/dbraw/zinc/83/83/58/379838358.db2.gz JRTYUKUCAQMODN-LBPRGKRZSA-N 2 1 284.806 3.225 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1c(F)cccc1Cl ZINC000352503754 379838361 /nfs/dbraw/zinc/83/83/61/379838361.db2.gz JRTYUKUCAQMODN-LBPRGKRZSA-N 2 1 284.806 3.225 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(F)cc1 ZINC000352527339 379845074 /nfs/dbraw/zinc/84/50/74/379845074.db2.gz ZBNKTMDHKOAMOU-CZUORRHYSA-N 2 1 264.388 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000282465972 379927393 /nfs/dbraw/zinc/92/73/93/379927393.db2.gz VXMBFDQJITZPGT-RHSMWYFYSA-N 2 1 285.435 3.030 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)oc1C ZINC000282350546 379902622 /nfs/dbraw/zinc/90/26/22/379902622.db2.gz VRTMZCQWWUMKIZ-NWANDNLSSA-N 2 1 264.413 3.420 20 0 CGADMP C[C@H](F)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352821297 379980996 /nfs/dbraw/zinc/98/09/96/379980996.db2.gz ANPWQYDESYJACZ-WMZOPIPTSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H](F)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352821297 379981007 /nfs/dbraw/zinc/98/10/07/379981007.db2.gz ANPWQYDESYJACZ-WMZOPIPTSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H](F)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352821297 379981016 /nfs/dbraw/zinc/98/10/16/379981016.db2.gz ANPWQYDESYJACZ-WMZOPIPTSA-N 2 1 290.426 3.333 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2occc2c1 ZINC000352770893 379950542 /nfs/dbraw/zinc/95/05/42/379950542.db2.gz MFWYWKDGZKLCKO-UHFFFAOYSA-N 2 1 260.381 3.253 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2occc2c1 ZINC000352770893 379950544 /nfs/dbraw/zinc/95/05/44/379950544.db2.gz MFWYWKDGZKLCKO-UHFFFAOYSA-N 2 1 260.381 3.253 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000352776529 379952254 /nfs/dbraw/zinc/95/22/54/379952254.db2.gz SVHWMEBZCDSDGF-VPOWOMEUSA-N 2 1 280.362 3.050 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000401718207 379958470 /nfs/dbraw/zinc/95/84/70/379958470.db2.gz CIDINSAVPGIZFW-LSDHHAIUSA-N 2 1 263.429 3.157 20 0 CGADMP CC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352825388 379986168 /nfs/dbraw/zinc/98/61/68/379986168.db2.gz PNGIHOKTJBSKEG-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352825388 379986173 /nfs/dbraw/zinc/98/61/73/379986173.db2.gz PNGIHOKTJBSKEG-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352825388 379986178 /nfs/dbraw/zinc/98/61/78/379986178.db2.gz PNGIHOKTJBSKEG-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347891271 218392013 /nfs/dbraw/zinc/39/20/13/218392013.db2.gz BKSWWPHGXHCZAN-BHYGNILZSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283461886 380065579 /nfs/dbraw/zinc/06/55/79/380065579.db2.gz VNZZYHRNDAZGHR-FZCLSBEQSA-N 2 1 295.430 3.227 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000283167339 380040925 /nfs/dbraw/zinc/04/09/25/380040925.db2.gz IZAYSFMMBKABLN-RHDJWLFDSA-N 2 1 286.463 3.499 20 0 CGADMP Cc1[nH+]ccn1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411408379 380144453 /nfs/dbraw/zinc/14/44/53/380144453.db2.gz PEOKQWUPGAICEJ-UHFFFAOYSA-N 2 1 269.392 3.226 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000283906824 380105768 /nfs/dbraw/zinc/10/57/68/380105768.db2.gz AAFNKDADAUANOC-UHFFFAOYSA-N 2 1 281.403 3.371 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000283906824 380105773 /nfs/dbraw/zinc/10/57/73/380105773.db2.gz AAFNKDADAUANOC-UHFFFAOYSA-N 2 1 281.403 3.371 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)[C@H]2CCC[C@@H]21 ZINC000414192039 380200088 /nfs/dbraw/zinc/20/00/88/380200088.db2.gz SHGCMMVPDBVQEU-IFOPZJACSA-N 2 1 286.410 3.273 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000414200952 380202016 /nfs/dbraw/zinc/20/20/16/380202016.db2.gz XXYVIPRJLMMINX-NVXWUHKLSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCCCC1)c1c[nH+]ccc1N ZINC000643491140 380318542 /nfs/dbraw/zinc/31/85/42/380318542.db2.gz HQTMRWMHCJIGGO-SNPRPXQTSA-N 2 1 273.424 3.361 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000643511270 380334243 /nfs/dbraw/zinc/33/42/43/380334243.db2.gz KBZCKEALCULOHQ-SWLSCSKDSA-N 2 1 266.454 3.176 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2c(F)cccc2Cl)CC[NH2+]1 ZINC000414673545 380365909 /nfs/dbraw/zinc/36/59/09/380365909.db2.gz COJDNZWIFRGORP-RYUDHWBXSA-N 2 1 284.806 3.299 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414695760 380378550 /nfs/dbraw/zinc/37/85/50/380378550.db2.gz OVMDFMZGQMUFEW-FMKPAKJESA-N 2 1 276.399 3.003 20 0 CGADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000414696902 380378959 /nfs/dbraw/zinc/37/89/59/380378959.db2.gz WENDYTXXFSOFLW-KRWDZBQOSA-N 2 1 254.377 3.326 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414702981 380382073 /nfs/dbraw/zinc/38/20/73/380382073.db2.gz MBRITJJBOCTXJV-PVAVHDDUSA-N 2 1 290.426 3.078 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000643527750 380342296 /nfs/dbraw/zinc/34/22/96/380342296.db2.gz RVPKOFMPWXDGMH-NOZJJQNGSA-N 2 1 297.240 3.108 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000643526846 380342669 /nfs/dbraw/zinc/34/26/69/380342669.db2.gz AMFDPHYGQUNDTD-YGRLFVJLSA-N 2 1 252.789 3.044 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000643526872 380343436 /nfs/dbraw/zinc/34/34/36/380343436.db2.gz BCZMSFCCGKICSN-ISVAXAHUSA-N 2 1 273.207 3.381 20 0 CGADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643529293 380346345 /nfs/dbraw/zinc/34/63/45/380346345.db2.gz YFMQQEYMVXZHLL-QWRGUYRKSA-N 2 1 275.421 3.116 20 0 CGADMP COc1ccc2oc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc2c1 ZINC000414654300 380354753 /nfs/dbraw/zinc/35/47/53/380354753.db2.gz BWKSSYBVZILHRX-INIZCTEOSA-N 2 1 290.407 3.247 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)C1CCCC1 ZINC000643543558 380357541 /nfs/dbraw/zinc/35/75/41/380357541.db2.gz ZQYNEPKJNUWZCO-JKSUJKDBSA-N 2 1 280.362 3.059 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000643545927 380357993 /nfs/dbraw/zinc/35/79/93/380357993.db2.gz FQBUELZVNQCPRX-TZMCWYRMSA-N 2 1 292.398 3.160 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000414816963 380428283 /nfs/dbraw/zinc/42/82/83/380428283.db2.gz RDKUQKCBKVERLF-ZDUSSCGKSA-N 2 1 274.330 3.313 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414819306 380430365 /nfs/dbraw/zinc/43/03/65/380430365.db2.gz YKLBISFZIGJRLM-CZUORRHYSA-N 2 1 266.404 3.254 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)cc2cccnc12 ZINC000414831532 380440076 /nfs/dbraw/zinc/44/00/76/380440076.db2.gz CJLJNLWOCFBLPA-INIZCTEOSA-N 2 1 271.408 3.006 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414834738 380441742 /nfs/dbraw/zinc/44/17/42/380441742.db2.gz GZOHOLQPHNYYCO-SFHVURJKSA-N 2 1 283.419 3.212 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414832997 380441830 /nfs/dbraw/zinc/44/18/30/380441830.db2.gz RVUYCGSSVMWYOX-UONOGXRCSA-N 2 1 286.341 3.151 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)C1CCCCC1 ZINC000414836330 380444409 /nfs/dbraw/zinc/44/44/09/380444409.db2.gz IMDWJPMZZSABFG-OAHLLOKOSA-N 2 1 298.377 3.285 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)C1CCCCC1 ZINC000414851851 380452977 /nfs/dbraw/zinc/45/29/77/380452977.db2.gz PWZYDVQNXDBGDY-BBOMDTFKSA-N 2 1 294.389 3.475 20 0 CGADMP C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414850850 380453398 /nfs/dbraw/zinc/45/33/98/380453398.db2.gz IOEBKGSBCRDVBG-WDEREUQCSA-N 2 1 287.234 3.471 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772701 380399066 /nfs/dbraw/zinc/39/90/66/380399066.db2.gz VGNSGBIROCEFMR-YTQUADARSA-N 2 1 286.463 3.187 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000354328902 380401317 /nfs/dbraw/zinc/40/13/17/380401317.db2.gz JUHCXMPHKKYNSF-SFHVURJKSA-N 2 1 289.467 3.033 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000414785250 380402950 /nfs/dbraw/zinc/40/29/50/380402950.db2.gz SFLTYNUMBOISFM-HYVNUMGLSA-N 2 1 290.426 3.251 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414785596 380403273 /nfs/dbraw/zinc/40/32/73/380403273.db2.gz SVLMUOUZPNHIID-NWDGAFQWSA-N 2 1 284.856 3.223 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cscc1Cl)CC[NH2+]CC2 ZINC000643973745 380403787 /nfs/dbraw/zinc/40/37/87/380403787.db2.gz BAEBEAKJUZDJEB-NSHDSACASA-N 2 1 284.856 3.366 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414799808 380412012 /nfs/dbraw/zinc/41/20/12/380412012.db2.gz HHVIBXBHRHZTOV-UHFFFAOYSA-N 2 1 280.721 3.186 20 0 CGADMP CCCCCOc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414802368 380414878 /nfs/dbraw/zinc/41/48/78/380414878.db2.gz MTZAZTSRIAMKKE-QGZVFWFLSA-N 2 1 276.424 3.083 20 0 CGADMP CCc1nc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cs1 ZINC000414808108 380421018 /nfs/dbraw/zinc/42/10/18/380421018.db2.gz KCSDTPOCHAFPPP-LLVKDONJSA-N 2 1 275.421 3.015 20 0 CGADMP Cc1ccc(-c2ccc(C[NH2+][C@@H](C)C[NH3+])s2)cc1 ZINC000414936563 380496392 /nfs/dbraw/zinc/49/63/92/380496392.db2.gz CZVSBNYQZMCXPV-LBPRGKRZSA-N 2 1 260.406 3.160 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)CC[NH2+]1 ZINC000414946440 380502589 /nfs/dbraw/zinc/50/25/89/380502589.db2.gz JNWQTNQBIBGUMX-DZGCQCFKSA-N 2 1 270.376 3.177 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071153 380507028 /nfs/dbraw/zinc/50/70/28/380507028.db2.gz VZPTVRROEPDVGH-DLBZAZTESA-N 2 1 260.425 3.115 20 0 CGADMP C[NH2+]CCC[N@@H+](C)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415128577 380509639 /nfs/dbraw/zinc/50/96/39/380509639.db2.gz SKALWNJUEOYXAR-LBPRGKRZSA-N 2 1 288.357 3.350 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1C(C)(C)C1(C)C ZINC000354515490 380465171 /nfs/dbraw/zinc/46/51/71/380465171.db2.gz SRHDFFZGFBJZQK-RWMBFGLXSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1C(C)(C)C1(C)C ZINC000354515490 380465175 /nfs/dbraw/zinc/46/51/75/380465175.db2.gz SRHDFFZGFBJZQK-RWMBFGLXSA-N 2 1 252.446 3.129 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414866933 380465515 /nfs/dbraw/zinc/46/55/15/380465515.db2.gz NLBQJEWLMHTRMY-OWCLPIDISA-N 2 1 278.827 3.318 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(-c3ccccc3)cs2)CCC1 ZINC000414886324 380473822 /nfs/dbraw/zinc/47/38/22/380473822.db2.gz PKTCPHDKUQRXFG-UHFFFAOYSA-N 2 1 272.417 3.386 20 0 CGADMP Cc1cc(C)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c(C)c1 ZINC000414887895 380475688 /nfs/dbraw/zinc/47/56/88/380475688.db2.gz XHTDCNZGUPZEIA-UHFFFAOYSA-N 2 1 297.446 3.276 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000355337545 380648895 /nfs/dbraw/zinc/64/88/95/380648895.db2.gz XFBIGTTVVGTUHK-GHMZBOCLSA-N 2 1 254.340 3.037 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417301929 380587360 /nfs/dbraw/zinc/58/73/60/380587360.db2.gz AWEQRHSCZVBIHM-LJISPDSOSA-N 2 1 278.465 3.172 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000417871888 380685486 /nfs/dbraw/zinc/68/54/86/380685486.db2.gz MXCRQEZNHNDSTP-WNRNVDISSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000417871888 380685492 /nfs/dbraw/zinc/68/54/92/380685492.db2.gz MXCRQEZNHNDSTP-WNRNVDISSA-N 2 1 270.420 3.007 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000646130888 380848323 /nfs/dbraw/zinc/84/83/23/380848323.db2.gz QANFNCAUXDQVPL-UHFFFAOYSA-N 2 1 269.392 3.169 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000356845833 380897979 /nfs/dbraw/zinc/89/79/79/380897979.db2.gz IKEIOEYRJCRYDJ-XYPHTWIQSA-N 2 1 275.440 3.386 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000356866129 380909088 /nfs/dbraw/zinc/90/90/88/380909088.db2.gz LTFISUZUYLJKGG-CABCVRRESA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357038957 381005975 /nfs/dbraw/zinc/00/59/75/381005975.db2.gz AMTKSCBWHANHMV-AWEZNQCLSA-N 2 1 293.480 3.088 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000334868013 207216259 /nfs/dbraw/zinc/21/62/59/207216259.db2.gz IAAVNTHWUNCGEF-MJGOQNOKSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334866789 207212563 /nfs/dbraw/zinc/21/25/63/207212563.db2.gz CJFWQTPOHXKRRU-ZFWWWQNUSA-N 2 1 264.438 3.021 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1C ZINC000334884642 207241202 /nfs/dbraw/zinc/24/12/02/207241202.db2.gz KUEHHOPQECMZQN-WBMJQRKESA-N 2 1 285.435 3.357 20 0 CGADMP Cc1nccn1CCCC[N@@H+](CC1CC1)C1CCC1 ZINC000361580351 381815766 /nfs/dbraw/zinc/81/57/66/381815766.db2.gz XKDHCCBMTAYLNH-UHFFFAOYSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](CC1CC1)C1CCC1 ZINC000361580351 381815773 /nfs/dbraw/zinc/81/57/73/381815773.db2.gz XKDHCCBMTAYLNH-UHFFFAOYSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC1CC1)C1CCC1 ZINC000361580351 381815784 /nfs/dbraw/zinc/81/57/84/381815784.db2.gz XKDHCCBMTAYLNH-UHFFFAOYSA-N 2 1 261.413 3.236 20 0 CGADMP Fc1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)[nH]c2c1 ZINC000362923169 382150348 /nfs/dbraw/zinc/15/03/48/382150348.db2.gz IGBFPEWTRDWBDU-GDBMZVCRSA-N 2 1 287.382 3.023 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c21 ZINC000246717102 542328011 /nfs/dbraw/zinc/32/80/11/542328011.db2.gz NNRKQIOCZRNHGM-IRXDYDNUSA-N 2 1 297.446 3.235 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000247982954 542332514 /nfs/dbraw/zinc/33/25/14/542332514.db2.gz INQXLMONOSCWMH-CRAIPNDOSA-N 2 1 274.452 3.111 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CC[C@H]1[NH3+] ZINC000251599985 542346652 /nfs/dbraw/zinc/34/66/52/542346652.db2.gz DBRZLOWNGJDLAF-CXAGYDPISA-N 2 1 258.409 3.123 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251772864 542347789 /nfs/dbraw/zinc/34/77/89/542347789.db2.gz MOVAJHWARFJCDX-KBXCAEBGSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000252211940 542349697 /nfs/dbraw/zinc/34/96/97/542349697.db2.gz WPBIPHZFXWCCMA-MGLUKCQKSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000252674533 542351244 /nfs/dbraw/zinc/35/12/44/542351244.db2.gz RUOIUHCAOYUBMG-SJORKVTESA-N 2 1 258.409 3.020 20 0 CGADMP CSc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000280928405 195032873 /nfs/dbraw/zinc/03/28/73/195032873.db2.gz UVLAVEOWJFNCEV-HOTGVXAUSA-N 2 1 290.476 3.167 20 0 CGADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000423395960 533005372 /nfs/dbraw/zinc/00/53/72/533005372.db2.gz TXZZGXUDPLLNLS-MDZLAQPJSA-N 2 1 282.428 3.339 20 0 CGADMP C[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC[C@H]1[NH3+] ZINC000335335056 208216275 /nfs/dbraw/zinc/21/62/75/208216275.db2.gz MNLGAJDDSQSHIS-ZWNOBZJWSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC[C@H]1[NH3+] ZINC000335335056 208216279 /nfs/dbraw/zinc/21/62/79/208216279.db2.gz MNLGAJDDSQSHIS-ZWNOBZJWSA-N 2 1 278.783 3.255 20 0 CGADMP CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414709114 285094956 /nfs/dbraw/zinc/09/49/56/285094956.db2.gz DTKVUTJKQSNPIM-QGZVFWFLSA-N 2 1 290.451 3.276 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423269241 533060724 /nfs/dbraw/zinc/06/07/24/533060724.db2.gz VSKZRRRPHOAKHT-QWHCGFSZSA-N 2 1 266.454 3.433 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000353743414 220291275 /nfs/dbraw/zinc/29/12/75/220291275.db2.gz BTPYDULQQVZBMA-BEFAXECRSA-N 2 1 286.463 3.480 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000353743414 220291285 /nfs/dbraw/zinc/29/12/85/220291285.db2.gz BTPYDULQQVZBMA-BEFAXECRSA-N 2 1 286.463 3.480 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000353743414 220291291 /nfs/dbraw/zinc/29/12/91/220291291.db2.gz BTPYDULQQVZBMA-BEFAXECRSA-N 2 1 286.463 3.480 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C)C[C@H]1C ZINC000353746635 220298065 /nfs/dbraw/zinc/29/80/65/220298065.db2.gz MKTKRZMKSHRYIP-RHSMWYFYSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C)C[C@H]1C ZINC000353746635 220298068 /nfs/dbraw/zinc/29/80/68/220298068.db2.gz MKTKRZMKSHRYIP-RHSMWYFYSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)C[C@H]1C ZINC000353746635 220298073 /nfs/dbraw/zinc/29/80/73/220298073.db2.gz MKTKRZMKSHRYIP-RHSMWYFYSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)C[C@H]1C ZINC000353746635 220298078 /nfs/dbraw/zinc/29/80/78/220298078.db2.gz MKTKRZMKSHRYIP-RHSMWYFYSA-N 2 1 278.415 3.439 20 0 CGADMP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000350221689 219000399 /nfs/dbraw/zinc/00/03/99/219000399.db2.gz OZGFCRYQZOSFPO-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2cccnc21 ZINC000281162751 195131138 /nfs/dbraw/zinc/13/11/38/195131138.db2.gz GIOJRBMUIVLDLL-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000159295852 285192521 /nfs/dbraw/zinc/19/25/21/285192521.db2.gz WPVJLSVOLVVQIR-KRWDZBQOSA-N 2 1 288.435 3.283 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000306473757 542421136 /nfs/dbraw/zinc/42/11/36/542421136.db2.gz VFYAAIOKKUSPKX-MRXNPFEDSA-N 2 1 267.376 3.076 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@@H]2c2ccncc2)CC[NH2+]1 ZINC000414679356 297399242 /nfs/dbraw/zinc/39/92/42/297399242.db2.gz ZOSLZHATQUVBEF-JFIYKMOQSA-N 2 1 287.451 3.387 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000414759901 297399928 /nfs/dbraw/zinc/39/99/28/297399928.db2.gz FXVJKGPBUDWGOI-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340181164 542489938 /nfs/dbraw/zinc/48/99/38/542489938.db2.gz MEXMMDRWHKWDIO-JQFCIGGWSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340181164 542489942 /nfs/dbraw/zinc/48/99/42/542489942.db2.gz MEXMMDRWHKWDIO-JQFCIGGWSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348077729 542514141 /nfs/dbraw/zinc/51/41/41/542514141.db2.gz DZAMDNMFNHGDKI-FVQBIDKESA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000312011983 285365033 /nfs/dbraw/zinc/36/50/33/285365033.db2.gz WRLJFUCSVXFQQD-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000423287988 533351155 /nfs/dbraw/zinc/35/11/55/533351155.db2.gz PVBUGVWKRJBXEW-MRVPVSSYSA-N 2 1 261.196 3.381 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000422824145 533353491 /nfs/dbraw/zinc/35/34/91/533353491.db2.gz NDRZSZWPCMWTAG-IUODEOHRSA-N 2 1 280.843 3.348 20 0 CGADMP CC[C@@H](C[NH2+]C1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC000742366878 572566898 /nfs/dbraw/zinc/56/68/98/572566898.db2.gz ZRHMWMQMZXHCIS-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP COc1c(C)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000368782165 533399312 /nfs/dbraw/zinc/39/93/12/533399312.db2.gz RPTJSQZMNSRRLU-SJORKVTESA-N 2 1 288.435 3.028 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(F)c1F ZINC000423350780 533438613 /nfs/dbraw/zinc/43/86/13/533438613.db2.gz XZLGAGWKXIOUGA-IAQYHMDHSA-N 2 1 268.351 3.005 20 0 CGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2cccs2)cc1 ZINC000423442617 533531823 /nfs/dbraw/zinc/53/18/23/533531823.db2.gz VDFBXGOQEDVTRQ-LCSDZXHASA-N 2 1 284.428 3.284 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(F)cc(F)c1 ZINC000423532940 533536760 /nfs/dbraw/zinc/53/67/60/533536760.db2.gz SDUMGESHZOZTDL-MEBBXXQBSA-N 2 1 268.351 3.133 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCCCCC1 ZINC000423496174 533536919 /nfs/dbraw/zinc/53/69/19/533536919.db2.gz DNMGZSPOKGYKOK-CZUORRHYSA-N 2 1 252.446 3.452 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000423260899 533613509 /nfs/dbraw/zinc/61/35/09/533613509.db2.gz IRADGUAXIQBFIU-KBPBESRZSA-N 2 1 294.439 3.036 20 0 CGADMP COc1cc(C)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449320486 533650155 /nfs/dbraw/zinc/65/01/55/533650155.db2.gz JBCGVBIVNZKRHG-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cc(C)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449320486 533650161 /nfs/dbraw/zinc/65/01/61/533650161.db2.gz JBCGVBIVNZKRHG-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cc(C)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449320486 533650163 /nfs/dbraw/zinc/65/01/63/533650163.db2.gz JBCGVBIVNZKRHG-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cc(C)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449320486 533650168 /nfs/dbraw/zinc/65/01/68/533650168.db2.gz JBCGVBIVNZKRHG-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000191574349 130256932 /nfs/dbraw/zinc/25/69/32/130256932.db2.gz HZGGPCRGDASYQL-INIZCTEOSA-N 2 1 277.456 3.409 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000063144669 392136467 /nfs/dbraw/zinc/13/64/67/392136467.db2.gz XBOFPDAZBSMHQU-JXLIZBIESA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358797 392182442 /nfs/dbraw/zinc/18/24/42/392182442.db2.gz KEPMZGIOWOKLKM-SJLPKXTDSA-N 2 1 296.499 3.434 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000087708665 392225883 /nfs/dbraw/zinc/22/58/83/392225883.db2.gz HPVBCDSJWYEWFU-YESZJQIVSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC000237402874 131027661 /nfs/dbraw/zinc/02/76/61/131027661.db2.gz JTXDNGMIWUFXQB-ZDUSSCGKSA-N 2 1 283.375 3.364 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250521926 131125919 /nfs/dbraw/zinc/12/59/19/131125919.db2.gz CQWVOHZCQYNDEC-KURKYZTESA-N 2 1 284.447 3.323 20 0 CGADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453257100 542681120 /nfs/dbraw/zinc/68/11/20/542681120.db2.gz UTBTUECZFMTGCV-RCCFBDPRSA-N 2 1 290.451 3.227 20 0 CGADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453257100 542681126 /nfs/dbraw/zinc/68/11/26/542681126.db2.gz UTBTUECZFMTGCV-RCCFBDPRSA-N 2 1 290.451 3.227 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126321381 392441747 /nfs/dbraw/zinc/44/17/47/392441747.db2.gz FMFIMEOFYWLUEC-NUJGCVRESA-N 2 1 286.463 3.427 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000126564509 392442755 /nfs/dbraw/zinc/44/27/55/392442755.db2.gz PLGAANOOWHXOSI-LZLYRXPVSA-N 2 1 270.420 3.199 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130253651 392453234 /nfs/dbraw/zinc/45/32/34/392453234.db2.gz SMVZLGNVZAKXRW-KFWWJZLASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)CC[N@H+]1C ZINC000132085316 392458257 /nfs/dbraw/zinc/45/82/57/392458257.db2.gz LTOMBYUONDJUON-YOEHRIQHSA-N 2 1 290.426 3.320 20 0 CGADMP CSc1cccc(F)c1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000287675928 392402944 /nfs/dbraw/zinc/40/29/44/392402944.db2.gz WAAORVUYSMLADX-YWPYICTPSA-N 2 1 296.455 3.366 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000153800363 392529781 /nfs/dbraw/zinc/52/97/81/392529781.db2.gz PCYMSDVBVHJLJU-OAHLLOKOSA-N 2 1 296.430 3.061 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398824 392507428 /nfs/dbraw/zinc/50/74/28/392507428.db2.gz WZZLPHPVKTZSLD-KDOFPFPSSA-N 2 1 288.435 3.220 20 0 CGADMP Cc1cccc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000158156919 392556638 /nfs/dbraw/zinc/55/66/38/392556638.db2.gz ADGOHOSMWIWBSX-UHFFFAOYSA-N 2 1 287.451 3.482 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)CCC2 ZINC000163265406 392604974 /nfs/dbraw/zinc/60/49/74/392604974.db2.gz WBWHLHBOHQYVNR-OLZOCXBDSA-N 2 1 293.480 3.014 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000156579037 392548331 /nfs/dbraw/zinc/54/83/31/392548331.db2.gz GXRKYXNBZYUWHS-HNKHHVNMSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@H+]1C ZINC000156579037 392548334 /nfs/dbraw/zinc/54/83/34/392548334.db2.gz GXRKYXNBZYUWHS-HNKHHVNMSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCC1 ZINC000313410233 392666758 /nfs/dbraw/zinc/66/67/58/392666758.db2.gz NSMZMBPCDSWEON-BMFZPTHFSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000313410233 392666762 /nfs/dbraw/zinc/66/67/62/392666762.db2.gz NSMZMBPCDSWEON-BMFZPTHFSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000178098251 392671656 /nfs/dbraw/zinc/67/16/56/392671656.db2.gz PSTXRBAAAAZEDI-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000647344809 392694676 /nfs/dbraw/zinc/69/46/76/392694676.db2.gz ZQQOKJNFBPKFCA-NXHRZFHOSA-N 2 1 295.430 3.078 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000647344809 392694681 /nfs/dbraw/zinc/69/46/81/392694681.db2.gz ZQQOKJNFBPKFCA-NXHRZFHOSA-N 2 1 295.430 3.078 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000647284567 392636807 /nfs/dbraw/zinc/63/68/07/392636807.db2.gz WIYSPEMVNRDQCE-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1C[C@@H]1C ZINC000647343753 392692322 /nfs/dbraw/zinc/69/23/22/392692322.db2.gz BQGTXIQUDZIELD-HXFGRODQSA-N 2 1 286.463 3.356 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308771914 392656397 /nfs/dbraw/zinc/65/63/97/392656397.db2.gz XPQHPDCUKGRUEO-UKRRQHHQSA-N 2 1 250.430 3.053 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000334418150 392725075 /nfs/dbraw/zinc/72/50/75/392725075.db2.gz RNGYBYSUWUXOTK-KGLIPLIRSA-N 2 1 274.399 3.228 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)ccc2cn1 ZINC000647479763 392735401 /nfs/dbraw/zinc/73/54/01/392735401.db2.gz TTXFDCJGXIPQSN-RBUKOAKNSA-N 2 1 295.430 3.199 20 0 CGADMP c1c2ccccc2oc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482857 392737026 /nfs/dbraw/zinc/73/70/26/392737026.db2.gz DFKDQRVDKPMFPR-UHFFFAOYSA-N 2 1 270.376 3.149 20 0 CGADMP c1c2ccccc2oc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482857 392737030 /nfs/dbraw/zinc/73/70/30/392737030.db2.gz DFKDQRVDKPMFPR-UHFFFAOYSA-N 2 1 270.376 3.149 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc3nc(C)sc3c2)CC[C@H]1[NH3+] ZINC000647497256 392740838 /nfs/dbraw/zinc/74/08/38/392740838.db2.gz AZNZPGHTZIGXBF-ZIAGYGMSSA-N 2 1 289.448 3.164 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1[NH3+] ZINC000647498674 392742637 /nfs/dbraw/zinc/74/26/37/392742637.db2.gz MSOBQYGCXWPSRG-QFBILLFUSA-N 2 1 295.430 3.308 20 0 CGADMP c1ccc2oc([C@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000647513613 392745636 /nfs/dbraw/zinc/74/56/36/392745636.db2.gz PLRQGKWFQYEOFZ-CABCVRRESA-N 2 1 299.418 3.007 20 0 CGADMP Cc1cc2cc(C[NH+]3CCC(C)([NH3+])CC3)oc2cc1C ZINC000647531447 392753379 /nfs/dbraw/zinc/75/33/79/392753379.db2.gz XKJWMYYZMHSAFF-UHFFFAOYSA-N 2 1 272.392 3.363 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534184 392755948 /nfs/dbraw/zinc/75/59/48/392755948.db2.gz IIHACOBPTIZDSE-FGTMMUONSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000647534184 392755956 /nfs/dbraw/zinc/75/59/56/392755956.db2.gz IIHACOBPTIZDSE-FGTMMUONSA-N 2 1 272.436 3.110 20 0 CGADMP C[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CCC2)CC1 ZINC000647349444 392700042 /nfs/dbraw/zinc/70/00/42/392700042.db2.gz PMQNFAZCESMMBO-UHFFFAOYSA-N 2 1 278.827 3.403 20 0 CGADMP CC1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000334349876 392722023 /nfs/dbraw/zinc/72/20/23/392722023.db2.gz FDJIHRHLSHNISC-AGZZZRPFSA-N 2 1 258.409 3.210 20 0 CGADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000334349876 392722035 /nfs/dbraw/zinc/72/20/35/392722035.db2.gz FDJIHRHLSHNISC-AGZZZRPFSA-N 2 1 258.409 3.210 20 0 CGADMP CC1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000334349879 392722466 /nfs/dbraw/zinc/72/24/66/392722466.db2.gz FDJIHRHLSHNISC-INXRADFVSA-N 2 1 258.409 3.210 20 0 CGADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000334349879 392722471 /nfs/dbraw/zinc/72/24/71/392722471.db2.gz FDJIHRHLSHNISC-INXRADFVSA-N 2 1 258.409 3.210 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647937136 392839676 /nfs/dbraw/zinc/83/96/76/392839676.db2.gz RHHDLCKPPXOYOD-SJORKVTESA-N 2 1 290.451 3.132 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000509964862 392777916 /nfs/dbraw/zinc/77/79/16/392777916.db2.gz XZTGJKSRCGDEJG-HZPDHXFCSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH]c2nc[nH+]c(NCc3ccc([C@H](C)[NH3+])cc3)c2c1C ZINC000647705854 392787386 /nfs/dbraw/zinc/78/73/86/392787386.db2.gz QZDYZDYZMXHGDC-NSHDSACASA-N 2 1 295.390 3.207 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510654380 392806843 /nfs/dbraw/zinc/80/68/43/392806843.db2.gz XIAXEIOMOSKOME-ZIAGYGMSSA-N 2 1 296.405 3.217 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000510966793 392821502 /nfs/dbraw/zinc/82/15/02/392821502.db2.gz JETVNZITYRAYFC-NVXWUHKLSA-N 2 1 290.451 3.177 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000510966793 392821505 /nfs/dbraw/zinc/82/15/05/392821505.db2.gz JETVNZITYRAYFC-NVXWUHKLSA-N 2 1 290.451 3.177 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375808068 392823704 /nfs/dbraw/zinc/82/37/04/392823704.db2.gz RNWLKSYERBFFNL-ZNMIVQPWSA-N 2 1 293.842 3.006 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000647889472 392826168 /nfs/dbraw/zinc/82/61/68/392826168.db2.gz UOJZAUQTPVRRIK-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000647890006 392828398 /nfs/dbraw/zinc/82/83/98/392828398.db2.gz FIWRHQKRTHNIJI-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000647890820 392829136 /nfs/dbraw/zinc/82/91/36/392829136.db2.gz YZHIJKTUTONOIA-JZXOWHBKSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000337495916 392887857 /nfs/dbraw/zinc/88/78/57/392887857.db2.gz FJFQDLBJNJBMDO-MBNYWOFBSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC000520243192 392913798 /nfs/dbraw/zinc/91/37/98/392913798.db2.gz VOTFGSMJVHGWTK-WUKHSURWSA-N 2 1 269.392 3.131 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000375998144 392851086 /nfs/dbraw/zinc/85/10/86/392851086.db2.gz FFNDHSCMWMOCON-UHFFFAOYSA-N 2 1 278.465 3.364 20 0 CGADMP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647992136 392860289 /nfs/dbraw/zinc/86/02/89/392860289.db2.gz HLPRPNGONODPMS-VQIMIIECSA-N 2 1 298.405 3.309 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000647992169 392860410 /nfs/dbraw/zinc/86/04/10/392860410.db2.gz NLRYZWFRCWHIMG-ABAIWWIYSA-N 2 1 282.378 3.251 20 0 CGADMP CC(C)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376146495 392866504 /nfs/dbraw/zinc/86/65/04/392866504.db2.gz DYLOSPAGZJWNCN-KRWDZBQOSA-N 2 1 260.425 3.144 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000337344826 392880473 /nfs/dbraw/zinc/88/04/73/392880473.db2.gz ULQWGNNLUUCSJF-LULLPPNCSA-N 2 1 299.462 3.324 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000392826183 392932238 /nfs/dbraw/zinc/93/22/38/392932238.db2.gz WTUFYUQFIDIWCR-NFAWXSAZSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000513713366 542732780 /nfs/dbraw/zinc/73/27/80/542732780.db2.gz NUBAEVZLRSRWBX-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@]1(COC)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000194941553 392947093 /nfs/dbraw/zinc/94/70/93/392947093.db2.gz BRQFUHCBVARURA-QGZVFWFLSA-N 2 1 282.472 3.144 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340186686 392965159 /nfs/dbraw/zinc/96/51/59/392965159.db2.gz MYSSCLPTLZVYQV-RTBURBONSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340186686 392965162 /nfs/dbraw/zinc/96/51/62/392965162.db2.gz MYSSCLPTLZVYQV-RTBURBONSA-N 2 1 295.430 3.315 20 0 CGADMP CC(C)OCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340178706 392966546 /nfs/dbraw/zinc/96/65/46/392966546.db2.gz QSPQUSNVCMLTNC-ROUUACIJSA-N 2 1 290.451 3.227 20 0 CGADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340178706 392966553 /nfs/dbraw/zinc/96/65/53/392966553.db2.gz QSPQUSNVCMLTNC-ROUUACIJSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340253318 392968792 /nfs/dbraw/zinc/96/87/92/392968792.db2.gz FFOFMMCGIPNZIZ-ZIAGYGMSSA-N 2 1 286.341 3.364 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340253318 392968795 /nfs/dbraw/zinc/96/87/95/392968795.db2.gz FFOFMMCGIPNZIZ-ZIAGYGMSSA-N 2 1 286.341 3.364 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340389925 392971494 /nfs/dbraw/zinc/97/14/94/392971494.db2.gz HSNXPJVTIJQGFT-IWCQGFGOSA-N 2 1 290.476 3.163 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340389925 392971501 /nfs/dbraw/zinc/97/15/01/392971501.db2.gz HSNXPJVTIJQGFT-IWCQGFGOSA-N 2 1 290.476 3.163 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCCCF)C[C@@H]1c1ccccc1 ZINC000340389429 392972021 /nfs/dbraw/zinc/97/20/21/392972021.db2.gz NFJLQPSESMHOOX-JKSUJKDBSA-N 2 1 264.388 3.161 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCCF)C[C@@H]1c1ccccc1 ZINC000340389429 392972025 /nfs/dbraw/zinc/97/20/25/392972025.db2.gz NFJLQPSESMHOOX-JKSUJKDBSA-N 2 1 264.388 3.161 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[C@@H]1c1ccccc1 ZINC000340387810 392972086 /nfs/dbraw/zinc/97/20/86/392972086.db2.gz BWRSCESXKQOINR-WCXIOVBPSA-N 2 1 276.399 3.302 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[C@@H]1c1ccccc1 ZINC000340387810 392972091 /nfs/dbraw/zinc/97/20/91/392972091.db2.gz BWRSCESXKQOINR-WCXIOVBPSA-N 2 1 276.399 3.302 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000648424190 393010236 /nfs/dbraw/zinc/01/02/36/393010236.db2.gz CUDWIILSQUQYKQ-YESZJQIVSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000648424187 393011108 /nfs/dbraw/zinc/01/11/08/393011108.db2.gz CUDWIILSQUQYKQ-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000648426645 393012046 /nfs/dbraw/zinc/01/20/46/393012046.db2.gz KVDLBIPXLHDGRY-ZACQAIPSSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248659142 393092284 /nfs/dbraw/zinc/09/22/84/393092284.db2.gz CEYILRBCHYJVBX-IAGOWNOFSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415009849 393093734 /nfs/dbraw/zinc/09/37/34/393093734.db2.gz XRZYMTLXZJSFDW-ZBFHGGJFSA-N 2 1 296.405 3.151 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346994612 393098086 /nfs/dbraw/zinc/09/80/86/393098086.db2.gz UPJAPCDNUCGRGC-CPUCHLNUSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000467421679 393098766 /nfs/dbraw/zinc/09/87/66/393098766.db2.gz YSVOWJJZYLLVQL-KONPQCLYSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000467421679 393098770 /nfs/dbraw/zinc/09/87/70/393098770.db2.gz YSVOWJJZYLLVQL-KONPQCLYSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249161571 393101816 /nfs/dbraw/zinc/10/18/16/393101816.db2.gz ZXYNMRGACFPDIR-VYDXJSESSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249161571 393101820 /nfs/dbraw/zinc/10/18/20/393101820.db2.gz ZXYNMRGACFPDIR-VYDXJSESSA-N 2 1 286.419 3.035 20 0 CGADMP C[C@H]1C[C@@H](NCc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648464999 393035008 /nfs/dbraw/zinc/03/50/08/393035008.db2.gz NJNIVFKZUFYGPF-GWCFXTLKSA-N 2 1 293.798 3.054 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CCN1C ZINC000648464999 393035012 /nfs/dbraw/zinc/03/50/12/393035012.db2.gz NJNIVFKZUFYGPF-GWCFXTLKSA-N 2 1 293.798 3.054 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[C@H]1C1CC1 ZINC000414184450 393042290 /nfs/dbraw/zinc/04/22/90/393042290.db2.gz FUUVJKXYVHILKC-NCOADZHNSA-N 2 1 262.441 3.029 20 0 CGADMP CC1CCC([N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C2CC2)CC1 ZINC000414713119 393052046 /nfs/dbraw/zinc/05/20/46/393052046.db2.gz VRIIITOXWCACLZ-LVDPKSTMSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414698201 393052569 /nfs/dbraw/zinc/05/25/69/393052569.db2.gz IRHIRIGQCGPJTE-YFHUEUNASA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000414954433 393063631 /nfs/dbraw/zinc/06/36/31/393063631.db2.gz MWPUTMABIJNEEB-HJWJTTGWSA-N 2 1 258.409 3.053 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414967217 393071749 /nfs/dbraw/zinc/07/17/49/393071749.db2.gz HDLSRKJCPITVQO-ZDUSSCGKSA-N 2 1 287.234 3.471 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415036206 393107616 /nfs/dbraw/zinc/10/76/16/393107616.db2.gz FNCLZANRFRKWDI-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000251234604 393118392 /nfs/dbraw/zinc/11/83/92/393118392.db2.gz KYSFGZUWAFGNOP-IHRRRGAJSA-N 2 1 264.438 3.416 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000252194788 393121096 /nfs/dbraw/zinc/12/10/96/393121096.db2.gz VJOCMFBHIPHOBC-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000252194788 393121106 /nfs/dbraw/zinc/12/11/06/393121106.db2.gz VJOCMFBHIPHOBC-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@]1(C[NH2+]Cc2ccccc2OC2CCCC2)CC[NH2+]C1 ZINC000415086632 393137981 /nfs/dbraw/zinc/13/79/81/393137981.db2.gz JVELWZGYIVFCJL-SFHVURJKSA-N 2 1 288.435 3.097 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000468407953 393140888 /nfs/dbraw/zinc/14/08/88/393140888.db2.gz KPOARXIEYJHNBS-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000468407953 393140895 /nfs/dbraw/zinc/14/08/95/393140895.db2.gz KPOARXIEYJHNBS-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000468407953 393140899 /nfs/dbraw/zinc/14/08/99/393140899.db2.gz KPOARXIEYJHNBS-CQSZACIVSA-N 2 1 280.843 3.422 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000415116116 393149317 /nfs/dbraw/zinc/14/93/17/393149317.db2.gz VSDSAZYIBWZEKQ-QWHCGFSZSA-N 2 1 278.827 3.086 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000271919907 393257065 /nfs/dbraw/zinc/25/70/65/393257065.db2.gz ZVWRXXARUASTHV-KBXCAEBGSA-N 2 1 270.420 3.477 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000353534832 393225233 /nfs/dbraw/zinc/22/52/33/393225233.db2.gz UVQALAZTEBBEDE-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000268856811 393206467 /nfs/dbraw/zinc/20/64/67/393206467.db2.gz ZIWIIVDZEIPGMD-CQSZACIVSA-N 2 1 291.395 3.157 20 0 CGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000474807252 393350039 /nfs/dbraw/zinc/35/00/39/393350039.db2.gz HSCHMVXEXLMBGV-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCC(F)(F)CC2)CCCC1 ZINC000647169040 393366309 /nfs/dbraw/zinc/36/63/09/393366309.db2.gz WIIDHTXKJOUJIX-UHFFFAOYSA-N 2 1 260.372 3.028 20 0 CGADMP CSC1(C[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CCC1 ZINC000356173784 393367804 /nfs/dbraw/zinc/36/78/04/393367804.db2.gz GNLNUJVSZLDTPI-OAHLLOKOSA-N 2 1 284.513 3.372 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000475159438 393379687 /nfs/dbraw/zinc/37/96/87/393379687.db2.gz YDUWFZHPLTVWRK-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000420385148 393480838 /nfs/dbraw/zinc/48/08/38/393480838.db2.gz FGJAOUDYVGCURS-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP COc1cccc2c(NC[C@@H]3CCC[C@H]([NH3+])C3)cc(C)[nH+]c12 ZINC000420292569 393451396 /nfs/dbraw/zinc/45/13/96/393451396.db2.gz WWHZIWQRPNWQGS-KGLIPLIRSA-N 2 1 299.418 3.481 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccc(C)cc2)cc1 ZINC000420295983 393453035 /nfs/dbraw/zinc/45/30/35/393453035.db2.gz BHYZXPLNBGNBRS-GOSISDBHSA-N 2 1 298.430 3.178 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCC(C)C)C2CC2)cc1 ZINC000420299493 393453803 /nfs/dbraw/zinc/45/38/03/393453803.db2.gz GQSOIGDNXHJNQE-MRXNPFEDSA-N 2 1 290.451 3.248 20 0 CGADMP C(C[N@H+]1CCCC2(CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420302454 393457140 /nfs/dbraw/zinc/45/71/40/393457140.db2.gz MFZKFTBNBPJTJX-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1C ZINC000420302380 393458066 /nfs/dbraw/zinc/45/80/66/393458066.db2.gz JTZKAFBSRFPCEM-AEFFLSMTSA-N 2 1 272.436 3.440 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000428283906 393460338 /nfs/dbraw/zinc/46/03/38/393460338.db2.gz JLOXUHTVIFVIRP-ORQFMDKSSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000428283906 393460341 /nfs/dbraw/zinc/46/03/41/393460341.db2.gz JLOXUHTVIFVIRP-ORQFMDKSSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000428283906 393460347 /nfs/dbraw/zinc/46/03/47/393460347.db2.gz JLOXUHTVIFVIRP-ORQFMDKSSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000428283906 393460356 /nfs/dbraw/zinc/46/03/56/393460356.db2.gz JLOXUHTVIFVIRP-ORQFMDKSSA-N 2 1 264.457 3.393 20 0 CGADMP Fc1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC2CC2)cc1 ZINC000420312708 393460841 /nfs/dbraw/zinc/46/08/41/393460841.db2.gz XBOUDNYQPZTYAY-AWEZNQCLSA-N 2 1 276.399 3.037 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420314099 393461035 /nfs/dbraw/zinc/46/10/35/393461035.db2.gz YSNOLVHJDHNQKM-SOLBZPMBSA-N 2 1 272.436 3.254 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2C(C)(C)C)cc1 ZINC000420312744 393461600 /nfs/dbraw/zinc/46/16/00/393461600.db2.gz XDAQMIKSKIAYNQ-NVXWUHKLSA-N 2 1 290.451 3.248 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000420320410 393465193 /nfs/dbraw/zinc/46/51/93/393465193.db2.gz QEGFIMJUZNXCHZ-JSGCOSHPSA-N 2 1 296.842 3.296 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000420320410 393465198 /nfs/dbraw/zinc/46/51/98/393465198.db2.gz QEGFIMJUZNXCHZ-JSGCOSHPSA-N 2 1 296.842 3.296 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322421 393465428 /nfs/dbraw/zinc/46/54/28/393465428.db2.gz FCDKPXPYHXCBLP-AEFFLSMTSA-N 2 1 272.436 3.071 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420324405 393468889 /nfs/dbraw/zinc/46/88/89/393468889.db2.gz VGMWVEHKTKFGPL-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420332239 393470272 /nfs/dbraw/zinc/47/02/72/393470272.db2.gz RQJILPFBNNURHI-CVEARBPZSA-N 2 1 278.465 3.002 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420363196 393474308 /nfs/dbraw/zinc/47/43/08/393474308.db2.gz BJBGTLOUURXNQD-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000420367652 393477073 /nfs/dbraw/zinc/47/70/73/393477073.db2.gz MZWIYRVJKRHZLJ-UTJXIGIESA-N 2 1 258.409 3.040 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000420366044 393477146 /nfs/dbraw/zinc/47/71/46/393477146.db2.gz FJYWOJGVKNXIAO-UHFFFAOYSA-N 2 1 266.816 3.162 20 0 CGADMP C[NH2+]CCC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000420366044 393477152 /nfs/dbraw/zinc/47/71/52/393477152.db2.gz FJYWOJGVKNXIAO-UHFFFAOYSA-N 2 1 266.816 3.162 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248783 393410377 /nfs/dbraw/zinc/41/03/77/393410377.db2.gz CJQULSZXYINVQU-SJORKVTESA-N 2 1 284.403 3.023 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647248783 393410381 /nfs/dbraw/zinc/41/03/81/393410381.db2.gz CJQULSZXYINVQU-SJORKVTESA-N 2 1 284.403 3.023 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359215119 393540374 /nfs/dbraw/zinc/54/03/74/393540374.db2.gz QGUIORNBBXSBNO-OAHLLOKOSA-N 2 1 278.465 3.447 20 0 CGADMP CCC[NH+](CCC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420909859 393540533 /nfs/dbraw/zinc/54/05/33/393540533.db2.gz ZLZVYQXGVDTDKW-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC000430120651 393527328 /nfs/dbraw/zinc/52/73/28/393527328.db2.gz BPNPPBBHIHMNPJ-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC000430120651 393527332 /nfs/dbraw/zinc/52/73/32/393527332.db2.gz BPNPPBBHIHMNPJ-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC000430120651 393527338 /nfs/dbraw/zinc/52/73/38/393527338.db2.gz BPNPPBBHIHMNPJ-LJQANCHMSA-N 2 1 284.447 3.093 20 0 CGADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000430565632 393575940 /nfs/dbraw/zinc/57/59/40/393575940.db2.gz APADPCYWGYYEQY-ZDUSSCGKSA-N 2 1 273.207 3.210 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCc1ccc(Cl)cc1 ZINC000430562447 393577296 /nfs/dbraw/zinc/57/72/96/393577296.db2.gz DPLMOWINPLZEEZ-OAHLLOKOSA-N 2 1 268.832 3.236 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000666805507 542816783 /nfs/dbraw/zinc/81/67/83/542816783.db2.gz IJGSGBYUXYACBO-UHFFFAOYSA-N 2 1 295.430 3.229 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C3CC3)c2)CCN1C ZINC000421320645 393604129 /nfs/dbraw/zinc/60/41/29/393604129.db2.gz QCLNFTQOXIOCME-RDTXWAMCSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C3CC3)c2)CC[NH+]1C ZINC000421320645 393604146 /nfs/dbraw/zinc/60/41/46/393604146.db2.gz QCLNFTQOXIOCME-RDTXWAMCSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C3CC3)c2)CC[NH+]1C ZINC000421320645 393604148 /nfs/dbraw/zinc/60/41/48/393604148.db2.gz QCLNFTQOXIOCME-RDTXWAMCSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422750 393613115 /nfs/dbraw/zinc/61/31/15/393613115.db2.gz GOFDSEOPPXCPON-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422750 393613117 /nfs/dbraw/zinc/61/31/17/393613117.db2.gz GOFDSEOPPXCPON-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CC1(C)CC[C@H]([NH2+]CC[NH3+])c2cc(Br)ccc21 ZINC000423190522 393653005 /nfs/dbraw/zinc/65/30/05/393653005.db2.gz SNLYCRDPQGTWDS-ZDUSSCGKSA-N 2 1 297.240 3.110 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000423295014 393659133 /nfs/dbraw/zinc/65/91/33/393659133.db2.gz DFBLABKYMAIYGU-KGLIPLIRSA-N 2 1 294.439 3.180 20 0 CGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCCO2 ZINC000423321146 393661255 /nfs/dbraw/zinc/66/12/55/393661255.db2.gz MVSVTNZHCMYAME-SJORKVTESA-N 2 1 288.435 3.351 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCS2 ZINC000423313357 393661531 /nfs/dbraw/zinc/66/15/31/393661531.db2.gz FOYIUTCFMRAKNM-HUUCEWRRSA-N 2 1 276.449 3.167 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCCF ZINC000361067150 393663122 /nfs/dbraw/zinc/66/31/22/393663122.db2.gz QNZDVWSUBXOJOS-UHFFFAOYSA-N 2 1 280.431 3.484 20 0 CGADMP CCCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491054801 393664437 /nfs/dbraw/zinc/66/44/37/393664437.db2.gz DGSPWWVCGFFNRF-SFHVURJKSA-N 2 1 296.499 3.391 20 0 CGADMP CCCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491054801 393664443 /nfs/dbraw/zinc/66/44/43/393664443.db2.gz DGSPWWVCGFFNRF-SFHVURJKSA-N 2 1 296.499 3.391 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(F)cc(F)c1 ZINC000423532939 393671366 /nfs/dbraw/zinc/67/13/66/393671366.db2.gz SDUMGESHZOZTDL-BONVTDFDSA-N 2 1 268.351 3.133 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CC(C)(C)C ZINC000443204838 393749092 /nfs/dbraw/zinc/74/90/92/393749092.db2.gz QVNDSXCJNZYOJZ-KFWWJZLASA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000435374251 393714616 /nfs/dbraw/zinc/71/46/16/393714616.db2.gz PNGWEGKCASRUJE-YOEHRIQHSA-N 2 1 260.425 3.022 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCc2ccccc2C1 ZINC000499951169 393811735 /nfs/dbraw/zinc/81/17/35/393811735.db2.gz RPRNQJDJUQOGAC-KRWDZBQOSA-N 2 1 286.463 3.209 20 0 CGADMP CC(C)CCn1cccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449556165 393900991 /nfs/dbraw/zinc/90/09/91/393900991.db2.gz LCBUXCXEBZBMCN-ALOPSCKCSA-N 2 1 289.467 3.249 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449556165 393900996 /nfs/dbraw/zinc/90/09/96/393900996.db2.gz LCBUXCXEBZBMCN-ALOPSCKCSA-N 2 1 289.467 3.249 20 0 CGADMP COC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446750208 393862640 /nfs/dbraw/zinc/86/26/40/393862640.db2.gz FWSWJRNSBYZCBN-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998168 542834886 /nfs/dbraw/zinc/83/48/86/542834886.db2.gz GITRPOSFKXGPAQ-ZDUSSCGKSA-N 2 1 296.361 3.052 20 0 CGADMP CCC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000450493421 394005335 /nfs/dbraw/zinc/00/53/35/394005335.db2.gz CHPTWNXRMPSEEK-FUHWJXTLSA-N 2 1 296.499 3.124 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453103937 394172407 /nfs/dbraw/zinc/17/24/07/394172407.db2.gz YEOMNZMXBDWQHX-FUHWJXTLSA-N 2 1 289.467 3.114 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453104358 394172685 /nfs/dbraw/zinc/17/26/85/394172685.db2.gz ZIGPCIOBZQGOLW-WMLDXEAASA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000453247590 394218857 /nfs/dbraw/zinc/21/88/57/394218857.db2.gz KAJLOXWSWKQZOJ-PVAVHDDUSA-N 2 1 272.436 3.179 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000453256677 394222803 /nfs/dbraw/zinc/22/28/03/394222803.db2.gz MHKUPBLUQOOMCI-GUTXKFCHSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000453256677 394222808 /nfs/dbraw/zinc/22/28/08/394222808.db2.gz MHKUPBLUQOOMCI-GUTXKFCHSA-N 2 1 264.388 3.267 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)ccc1F ZINC000453396999 394232431 /nfs/dbraw/zinc/23/24/31/394232431.db2.gz JCIZITRDBDLCQR-ZDUSSCGKSA-N 2 1 294.414 3.359 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453404714 394235411 /nfs/dbraw/zinc/23/54/11/394235411.db2.gz BQBRUTHMDHHCGQ-LXTVHRRPSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667786446 542928642 /nfs/dbraw/zinc/92/86/42/542928642.db2.gz QPGSCAXLIGMWLH-YVSFHVDLSA-N 2 1 264.457 3.419 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668785434 543061342 /nfs/dbraw/zinc/06/13/42/543061342.db2.gz QCSLFQGFCNYTFE-JQHSSLGASA-N 2 1 294.483 3.021 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CS1 ZINC000668818756 543066248 /nfs/dbraw/zinc/06/62/48/543066248.db2.gz KSTMLWKBWSAMHS-ZACQAIPSSA-N 2 1 296.524 3.228 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000668818175 543066547 /nfs/dbraw/zinc/06/65/47/543066547.db2.gz FRGNQVWAPOQULU-ZBFHGGJFSA-N 2 1 266.473 3.380 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000671740813 543184209 /nfs/dbraw/zinc/18/42/09/543184209.db2.gz JVMVXHACGKWWSH-OKZBNKHCSA-N 2 1 286.463 3.427 20 0 CGADMP CC(C)c1ccc(O[C@@H](C)C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000672614427 543219671 /nfs/dbraw/zinc/21/96/71/543219671.db2.gz LRVUQGFLMZYXKR-HNNXBMFYSA-N 2 1 290.451 3.261 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917712 397609970 /nfs/dbraw/zinc/60/99/70/397609970.db2.gz TYQQYKCGJCYVPT-ROUUACIJSA-N 2 1 272.436 3.267 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)CCC1 ZINC000429431983 292124016 /nfs/dbraw/zinc/12/40/16/292124016.db2.gz NWIIMLQLNFWFNN-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)CCC1 ZINC000429431983 292124017 /nfs/dbraw/zinc/12/40/17/292124017.db2.gz NWIIMLQLNFWFNN-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc2cccnc12 ZINC000650709281 397898252 /nfs/dbraw/zinc/89/82/52/397898252.db2.gz ORHNQSPAYZBKSP-HKUYNNGSSA-N 2 1 295.430 3.104 20 0 CGADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)o1 ZINC000650753852 397909500 /nfs/dbraw/zinc/90/95/00/397909500.db2.gz WLEALHMODCYEPI-NSHDSACASA-N 2 1 276.355 3.345 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000675655012 543352685 /nfs/dbraw/zinc/35/26/85/543352685.db2.gz YYWFGHPOLZMDEE-WMZOPIPTSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675804593 543366336 /nfs/dbraw/zinc/36/63/36/543366336.db2.gz CIUZOVKHBLIVEL-ZFWWWQNUSA-N 2 1 285.435 3.091 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1F ZINC000677981342 543475045 /nfs/dbraw/zinc/47/50/45/543475045.db2.gz CMAHMMKDZBZKHT-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1F ZINC000677981342 543475047 /nfs/dbraw/zinc/47/50/47/543475047.db2.gz CMAHMMKDZBZKHT-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CCCC1 ZINC000122504996 286048892 /nfs/dbraw/zinc/04/88/92/286048892.db2.gz OFLMHVSJKGFYTG-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)n1 ZINC000678412210 543521838 /nfs/dbraw/zinc/52/18/38/543521838.db2.gz TUGLIJDDJFJAKS-HNNXBMFYSA-N 2 1 275.440 3.225 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000678728844 543550784 /nfs/dbraw/zinc/55/07/84/543550784.db2.gz PXMJXFFOWOIFJS-MRXNPFEDSA-N 2 1 274.452 3.284 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C12CCCC2 ZINC000359022370 286388015 /nfs/dbraw/zinc/38/80/15/286388015.db2.gz XJCPVUGTFLRTMO-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCSCC1 ZINC000249783889 287024475 /nfs/dbraw/zinc/02/44/75/287024475.db2.gz DFIOPYPSZDUZHJ-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000246939934 287022421 /nfs/dbraw/zinc/02/24/21/287022421.db2.gz HPFRONQENDRDMN-HUUCEWRRSA-N 2 1 264.413 3.442 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000245925452 287022528 /nfs/dbraw/zinc/02/25/28/287022528.db2.gz OMANFNMRQUXBCS-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccnc1 ZINC000245604861 287022975 /nfs/dbraw/zinc/02/29/75/287022975.db2.gz LYCCBXFHIPHDIQ-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCC(F)(F)CC1 ZINC000423506724 287053685 /nfs/dbraw/zinc/05/36/85/287053685.db2.gz PGYPWOWTMUQPFP-RISCZKNCSA-N 2 1 274.399 3.308 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461039 165146781 /nfs/dbraw/zinc/14/67/81/165146781.db2.gz AWHXLLDYEJNJDU-WBVHZDCISA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461039 165146784 /nfs/dbraw/zinc/14/67/84/165146784.db2.gz AWHXLLDYEJNJDU-WBVHZDCISA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461039 165146786 /nfs/dbraw/zinc/14/67/86/165146786.db2.gz AWHXLLDYEJNJDU-WBVHZDCISA-N 2 1 260.425 3.157 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085125978 165179080 /nfs/dbraw/zinc/17/90/80/165179080.db2.gz YKUFVUNTWIKYKH-HIFPTAJRSA-N 2 1 278.362 3.039 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749514 165218025 /nfs/dbraw/zinc/21/80/25/165218025.db2.gz CTTIOZVFLKXOFR-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCSCC(C)C)[C@H](C)C1 ZINC000090881916 165246697 /nfs/dbraw/zinc/24/66/97/165246697.db2.gz DZYUUZDNYGKMNI-CABCVRRESA-N 2 1 272.502 3.086 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000094010947 165342870 /nfs/dbraw/zinc/34/28/70/165342870.db2.gz YBGZTIPWYHKJLA-OAHLLOKOSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000094010948 165344016 /nfs/dbraw/zinc/34/40/16/165344016.db2.gz YBGZTIPWYHKJLA-HNNXBMFYSA-N 2 1 260.425 3.296 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522157 165353527 /nfs/dbraw/zinc/35/35/27/165353527.db2.gz WOXAZPIVQBKVEX-CQSZACIVSA-N 2 1 258.409 3.125 20 0 CGADMP CC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000093067051 287114689 /nfs/dbraw/zinc/11/46/89/287114689.db2.gz PZZUGLBGEDLWAN-FUHWJXTLSA-N 2 1 274.452 3.187 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000114478826 287151609 /nfs/dbraw/zinc/15/16/09/287151609.db2.gz YBTYCWKOUGSFGE-INIZCTEOSA-N 2 1 292.492 3.279 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000262039303 165849247 /nfs/dbraw/zinc/84/92/47/165849247.db2.gz YBZVFGDRVKRWKL-UHFFFAOYSA-N 2 1 291.197 3.303 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000120585167 287184138 /nfs/dbraw/zinc/18/41/38/287184138.db2.gz BUFWUOSDBGYDOE-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP CCC1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000122478205 287210167 /nfs/dbraw/zinc/21/01/67/287210167.db2.gz AKIRLIWNCIZDPT-LMPOIIKSSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000008731131 170351300 /nfs/dbraw/zinc/35/13/00/170351300.db2.gz NORAYYJAEIHJHK-UHFFFAOYSA-N 2 1 260.425 3.431 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccs2)CC1 ZINC000020189118 171054269 /nfs/dbraw/zinc/05/42/69/171054269.db2.gz CKIJDHVOFHIFJR-GFCCVEGCSA-N 2 1 252.427 3.272 20 0 CGADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000126459148 287265618 /nfs/dbraw/zinc/26/56/18/287265618.db2.gz FZSJMBXKDFWXKL-OAHLLOKOSA-N 2 1 296.842 3.403 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267047 173077730 /nfs/dbraw/zinc/07/77/30/173077730.db2.gz VQKWXFDKXDAIJP-LBPRGKRZSA-N 2 1 264.438 3.153 20 0 CGADMP CCC[N@@H+](CCOc1cc(C)ccc1C)C1CC[NH2+]CC1 ZINC000037539182 173260256 /nfs/dbraw/zinc/26/02/56/173260256.db2.gz NKCFSYBTHWDHPW-UHFFFAOYSA-N 2 1 290.451 3.146 20 0 CGADMP CCC[N@@H+](Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000037539260 173260538 /nfs/dbraw/zinc/26/05/38/173260538.db2.gz OJROJHDSFLVTLM-UHFFFAOYSA-N 2 1 266.816 3.304 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc(O)c1 ZINC000038041814 174043410 /nfs/dbraw/zinc/04/34/10/174043410.db2.gz WKJHOVZVNKWMEP-LSDHHAIUSA-N 2 1 276.424 3.165 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252173339 287287431 /nfs/dbraw/zinc/28/74/31/287287431.db2.gz OLEPUPMWEUYMOK-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000040591823 174347357 /nfs/dbraw/zinc/34/73/57/174347357.db2.gz QNBXCDOHEJQSHY-INIZCTEOSA-N 2 1 260.425 3.043 20 0 CGADMP Clc1ccc2c(NC[C@@H]3CCC[NH2+]C3)cc[nH+]c2c1 ZINC000044502801 175186228 /nfs/dbraw/zinc/18/62/28/175186228.db2.gz KCIZJWRVHBZNEP-LLVKDONJSA-N 2 1 275.783 3.300 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402948064 416548613 /nfs/dbraw/zinc/54/86/13/416548613.db2.gz QJHQJCBYISIQSR-NOLJZWGESA-N 2 1 278.827 3.462 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)[C@H]1CC[NH3+] ZINC000404377892 416551332 /nfs/dbraw/zinc/55/13/32/416551332.db2.gz SQTWVPMMBIRCDF-OCCSQVGLSA-N 2 1 298.377 3.237 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)[C@H]1CC[NH3+] ZINC000404377892 416551336 /nfs/dbraw/zinc/55/13/36/416551336.db2.gz SQTWVPMMBIRCDF-OCCSQVGLSA-N 2 1 298.377 3.237 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404343483 416551889 /nfs/dbraw/zinc/55/18/89/416551889.db2.gz GAFHRGNKGSFILH-CJNGLKHVSA-N 2 1 278.465 3.358 20 0 CGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC=CCC1 ZINC000679358572 543627106 /nfs/dbraw/zinc/62/71/06/543627106.db2.gz IYOJJZWWYPIHCG-UHFFFAOYSA-N 2 1 272.436 3.407 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC=CCC1 ZINC000679358572 543627110 /nfs/dbraw/zinc/62/71/10/543627110.db2.gz IYOJJZWWYPIHCG-UHFFFAOYSA-N 2 1 272.436 3.407 20 0 CGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC=CCC1 ZINC000679358572 543627113 /nfs/dbraw/zinc/62/71/13/543627113.db2.gz IYOJJZWWYPIHCG-UHFFFAOYSA-N 2 1 272.436 3.407 20 0 CGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC=CCC1 ZINC000679358572 543627116 /nfs/dbraw/zinc/62/71/16/543627116.db2.gz IYOJJZWWYPIHCG-UHFFFAOYSA-N 2 1 272.436 3.407 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000679536495 543644185 /nfs/dbraw/zinc/64/41/85/543644185.db2.gz LZQRSHZMZAXJNP-QGZVFWFLSA-N 2 1 274.452 3.380 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCc2ccccc2C1 ZINC000679819647 543662815 /nfs/dbraw/zinc/66/28/15/543662815.db2.gz KEEXYBDOKWSORG-KRWDZBQOSA-N 2 1 286.463 3.065 20 0 CGADMP CCC(CC)(CC)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000679997308 543673545 /nfs/dbraw/zinc/67/35/45/543673545.db2.gz HGAVLLYZKYYWEG-UHFFFAOYSA-N 2 1 297.531 3.066 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2occc2c1 ZINC000334749404 225272330 /nfs/dbraw/zinc/27/23/30/225272330.db2.gz JXLQFQCXGGZNRU-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2occc2c1 ZINC000334749404 225272336 /nfs/dbraw/zinc/27/23/36/225272336.db2.gz JXLQFQCXGGZNRU-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2occc2c1 ZINC000334749404 225272337 /nfs/dbraw/zinc/27/23/37/225272337.db2.gz JXLQFQCXGGZNRU-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2occc2c1 ZINC000334749404 225272341 /nfs/dbraw/zinc/27/23/41/225272341.db2.gz JXLQFQCXGGZNRU-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP CC[N@H+]1CCCC[C@@H]1CNc1cc[nH+]c2c(O)cccc12 ZINC000682240119 543836434 /nfs/dbraw/zinc/83/64/34/543836434.db2.gz YTBLXVGQQJWWDY-CYBMUJFWSA-N 2 1 285.391 3.227 20 0 CGADMP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000683227871 543905317 /nfs/dbraw/zinc/90/53/17/543905317.db2.gz ABGDJYJHRVULCO-QGZVFWFLSA-N 2 1 290.451 3.098 20 0 CGADMP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000683227871 543905321 /nfs/dbraw/zinc/90/53/21/543905321.db2.gz ABGDJYJHRVULCO-QGZVFWFLSA-N 2 1 290.451 3.098 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000132165589 287398499 /nfs/dbraw/zinc/39/84/99/287398499.db2.gz YDEKCKGCDKTIJU-INIZCTEOSA-N 2 1 292.492 3.194 20 0 CGADMP C(=C\c1ccccc1)\C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684425737 543998762 /nfs/dbraw/zinc/99/87/62/543998762.db2.gz NEGJBYFAGGZZLO-YFHOEESVSA-N 2 1 270.420 3.306 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CCCc2cccnc21)[NH+]1CCCCC1 ZINC000684961359 544046087 /nfs/dbraw/zinc/04/60/87/544046087.db2.gz IAHGTYZCYRAABI-NVXWUHKLSA-N 2 1 287.451 3.313 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000685666038 544094382 /nfs/dbraw/zinc/09/43/82/544094382.db2.gz LJXLUXSQEICGCN-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000685666038 544094385 /nfs/dbraw/zinc/09/43/85/544094385.db2.gz LJXLUXSQEICGCN-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)C2 ZINC000685838124 544100469 /nfs/dbraw/zinc/10/04/69/544100469.db2.gz NKMMVIARRLGQKL-QGZVFWFLSA-N 2 1 298.474 3.209 20 0 CGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000685909874 544107077 /nfs/dbraw/zinc/10/70/77/544107077.db2.gz IJBPZQPPFBQRHO-WCQYABFASA-N 2 1 285.366 3.411 20 0 CGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000685909874 544107079 /nfs/dbraw/zinc/10/70/79/544107079.db2.gz IJBPZQPPFBQRHO-WCQYABFASA-N 2 1 285.366 3.411 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000192932827 227395806 /nfs/dbraw/zinc/39/58/06/227395806.db2.gz MMUOFLRZRAWJCF-PKOBYXMFSA-N 2 1 284.447 3.454 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221666 418937116 /nfs/dbraw/zinc/93/71/16/418937116.db2.gz YTCGCFWFCFQQKC-KRWDZBQOSA-N 2 1 290.451 3.250 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000652221152 418937293 /nfs/dbraw/zinc/93/72/93/418937293.db2.gz SALUEEKZEKWSRD-ZDUSSCGKSA-N 2 1 254.443 3.377 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000652221152 418937294 /nfs/dbraw/zinc/93/72/94/418937294.db2.gz SALUEEKZEKWSRD-ZDUSSCGKSA-N 2 1 254.443 3.377 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000652222412 418937580 /nfs/dbraw/zinc/93/75/80/418937580.db2.gz NXQDWHBZZUXBON-SFHVURJKSA-N 2 1 290.451 3.337 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000652222412 418937581 /nfs/dbraw/zinc/93/75/81/418937581.db2.gz NXQDWHBZZUXBON-SFHVURJKSA-N 2 1 290.451 3.337 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000652222741 418938166 /nfs/dbraw/zinc/93/81/66/418938166.db2.gz WMOMEWOPLBFXQE-OAHLLOKOSA-N 2 1 280.460 3.093 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000652222741 418938171 /nfs/dbraw/zinc/93/81/71/418938171.db2.gz WMOMEWOPLBFXQE-OAHLLOKOSA-N 2 1 280.460 3.093 20 0 CGADMP CCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000652306791 418951083 /nfs/dbraw/zinc/95/10/83/418951083.db2.gz CWNGRINUFUSHCY-KURKYZTESA-N 2 1 272.436 3.211 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337021 418954326 /nfs/dbraw/zinc/95/43/26/418954326.db2.gz AYDRTUNQXZCIQF-UHFFFAOYSA-N 2 1 298.405 3.146 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCc2ccccc21 ZINC000652336867 418954937 /nfs/dbraw/zinc/95/49/37/418954937.db2.gz ITCSVGWTTIRPCA-FQEVSTJZSA-N 2 1 292.426 3.452 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000652353440 418956845 /nfs/dbraw/zinc/95/68/45/418956845.db2.gz JDJYVNOWAJAWIE-KGLIPLIRSA-N 2 1 292.854 3.301 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363621 418957956 /nfs/dbraw/zinc/95/79/56/418957956.db2.gz JIESXEYJBMJLBT-ARFHVFGLSA-N 2 1 282.472 3.174 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc2ccccc2o1 ZINC000665249206 419092920 /nfs/dbraw/zinc/09/29/20/419092920.db2.gz LBMPPLQPGNYGNP-LBPRGKRZSA-N 2 1 258.365 3.355 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CCCC1 ZINC000665249226 419093095 /nfs/dbraw/zinc/09/30/95/419093095.db2.gz LSQQURHRSGQBOP-CQSZACIVSA-N 2 1 264.800 3.188 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)O1 ZINC000665265522 419096142 /nfs/dbraw/zinc/09/61/42/419096142.db2.gz XHHOYBKVNKHPGN-VDHUWJSZSA-N 2 1 288.435 3.027 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000655797461 419098617 /nfs/dbraw/zinc/09/86/17/419098617.db2.gz HXIHQSSXLHBYQN-JKIFEVAISA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000655797461 419098621 /nfs/dbraw/zinc/09/86/21/419098621.db2.gz HXIHQSSXLHBYQN-JKIFEVAISA-N 2 1 276.399 3.493 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280282 419101938 /nfs/dbraw/zinc/10/19/38/419101938.db2.gz XVBAGBJTTVFUTA-KHCOKFHASA-N 2 1 270.420 3.213 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000665281193 419102843 /nfs/dbraw/zinc/10/28/43/419102843.db2.gz WSHSTACJCXVZEJ-VXGBXAGGSA-N 2 1 281.469 3.046 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659975450 419050890 /nfs/dbraw/zinc/05/08/90/419050890.db2.gz LOOXXPABHIBOIR-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CCC2)C[C@@H]1C ZINC000659982982 419051541 /nfs/dbraw/zinc/05/15/41/419051541.db2.gz AXRRHRMUJMAUEQ-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2CCC2)C[C@@H]1C ZINC000659982982 419051544 /nfs/dbraw/zinc/05/15/44/419051544.db2.gz AXRRHRMUJMAUEQ-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2CCC2)C[C@@H]1C ZINC000659982982 419051547 /nfs/dbraw/zinc/05/15/47/419051547.db2.gz AXRRHRMUJMAUEQ-GOEBONIOSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653571027 419052550 /nfs/dbraw/zinc/05/25/50/419052550.db2.gz RDTONSJTHFNGDS-ZBFHGGJFSA-N 2 1 263.429 3.253 20 0 CGADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653571027 419052554 /nfs/dbraw/zinc/05/25/54/419052554.db2.gz RDTONSJTHFNGDS-ZBFHGGJFSA-N 2 1 263.429 3.253 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)Cc1ccsc1 ZINC000653625376 419062214 /nfs/dbraw/zinc/06/22/14/419062214.db2.gz APYSXDUAOWMLPD-AWEZNQCLSA-N 2 1 291.464 3.367 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)Cc1ccsc1 ZINC000653625376 419062218 /nfs/dbraw/zinc/06/22/18/419062218.db2.gz APYSXDUAOWMLPD-AWEZNQCLSA-N 2 1 291.464 3.367 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000660304969 419124049 /nfs/dbraw/zinc/12/40/49/419124049.db2.gz INPZJTJYTCSNTE-APWZRJJASA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000660304969 419124052 /nfs/dbraw/zinc/12/40/52/419124052.db2.gz INPZJTJYTCSNTE-APWZRJJASA-N 2 1 284.447 3.453 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000655942706 419129076 /nfs/dbraw/zinc/12/90/76/419129076.db2.gz XNXMFHUTNUHAAO-CZUORRHYSA-N 2 1 276.424 3.130 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000655942706 419129079 /nfs/dbraw/zinc/12/90/79/419129079.db2.gz XNXMFHUTNUHAAO-CZUORRHYSA-N 2 1 276.424 3.130 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000656193614 419148497 /nfs/dbraw/zinc/14/84/97/419148497.db2.gz PBJRYLCEDBJUNP-LZQZEXGQSA-N 2 1 295.430 3.096 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654745 419176678 /nfs/dbraw/zinc/17/66/78/419176678.db2.gz IKMQAMGQMAHJQD-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654745 419176683 /nfs/dbraw/zinc/17/66/83/419176683.db2.gz IKMQAMGQMAHJQD-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660654745 419176685 /nfs/dbraw/zinc/17/66/85/419176685.db2.gz IKMQAMGQMAHJQD-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660654745 419176687 /nfs/dbraw/zinc/17/66/87/419176687.db2.gz IKMQAMGQMAHJQD-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc(Cl)cc1)C2 ZINC000660662427 419178623 /nfs/dbraw/zinc/17/86/23/419178623.db2.gz KDICIAXXSXGCEO-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1ccc(Cl)cc1)C2 ZINC000660662427 419178625 /nfs/dbraw/zinc/17/86/25/419178625.db2.gz KDICIAXXSXGCEO-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC000660662427 419178628 /nfs/dbraw/zinc/17/86/28/419178628.db2.gz KDICIAXXSXGCEO-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662392 419179970 /nfs/dbraw/zinc/17/99/70/419179970.db2.gz JOIKJZKLPAFZRK-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662392 419179972 /nfs/dbraw/zinc/17/99/72/419179972.db2.gz JOIKJZKLPAFZRK-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662392 419179973 /nfs/dbraw/zinc/17/99/73/419179973.db2.gz JOIKJZKLPAFZRK-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662392 419179976 /nfs/dbraw/zinc/17/99/76/419179976.db2.gz JOIKJZKLPAFZRK-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC1(C)C ZINC000666090023 419189234 /nfs/dbraw/zinc/18/92/34/419189234.db2.gz HDQODRGWWGOFPF-IKGGRYGDSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CCC(C)(C)[N@H+]1CCN1C[C@H](C)C[C@H](C)C1 ZINC000660755848 419190278 /nfs/dbraw/zinc/19/02/78/419190278.db2.gz UIIBNWDSRLYPHW-QLFBSQMISA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC(C)(C)N1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660755848 419190280 /nfs/dbraw/zinc/19/02/80/419190280.db2.gz UIIBNWDSRLYPHW-QLFBSQMISA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC(C)(C)N1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660755848 419190283 /nfs/dbraw/zinc/19/02/83/419190283.db2.gz UIIBNWDSRLYPHW-QLFBSQMISA-N 2 1 252.446 3.227 20 0 CGADMP C[NH+]1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657294081 419244990 /nfs/dbraw/zinc/24/49/90/419244990.db2.gz CIMPXPWDIMFJJF-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP CCCOCc1ccccc1CNCc1cnc2n1CCC2 ZINC000657314908 419248917 /nfs/dbraw/zinc/24/89/17/419248917.db2.gz GLBYGNDYRHJQNY-UHFFFAOYSA-N 2 1 299.418 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccc(C)cc2C1 ZINC000661371471 419253587 /nfs/dbraw/zinc/25/35/87/419253587.db2.gz KHVOMBMASMGBOM-UHFFFAOYSA-N 2 1 283.419 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccc(C)cc2C1 ZINC000661371471 419253589 /nfs/dbraw/zinc/25/35/89/419253589.db2.gz KHVOMBMASMGBOM-UHFFFAOYSA-N 2 1 283.419 3.338 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656787075 419219627 /nfs/dbraw/zinc/21/96/27/419219627.db2.gz ZWUBOYLLHQCQOI-SFHVURJKSA-N 2 1 272.436 3.207 20 0 CGADMP CCCCOc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788706 419221111 /nfs/dbraw/zinc/22/11/11/419221111.db2.gz XNYYWHVMTKTWTJ-UHFFFAOYSA-N 2 1 276.424 3.227 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000656790852 419221453 /nfs/dbraw/zinc/22/14/53/419221453.db2.gz BPEKKDGHCWYQDN-LSDHHAIUSA-N 2 1 278.415 3.426 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000666487864 419222176 /nfs/dbraw/zinc/22/21/76/419222176.db2.gz QJGNDVXMEWWMKL-MRXNPFEDSA-N 2 1 296.418 3.198 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2nccc3ccccc32)C1 ZINC000657182826 419230055 /nfs/dbraw/zinc/23/00/55/419230055.db2.gz GMUAZIKGTFJKCF-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]CC3CC3)C3(CCC3)C2)cc1 ZINC000657773640 419344246 /nfs/dbraw/zinc/34/42/46/419344246.db2.gz UKHDEXWLMWROIA-SFHVURJKSA-N 2 1 284.447 3.288 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662303734 419387910 /nfs/dbraw/zinc/38/79/10/419387910.db2.gz FDBZABKBYSVGFJ-VNSJNIRKSA-N 2 1 266.388 3.324 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662303734 419387913 /nfs/dbraw/zinc/38/79/13/419387913.db2.gz FDBZABKBYSVGFJ-VNSJNIRKSA-N 2 1 266.388 3.324 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315692 419390480 /nfs/dbraw/zinc/39/04/80/419390480.db2.gz IUIDDUJJBHJWES-RHSMWYFYSA-N 2 1 278.415 3.474 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000657880024 419402161 /nfs/dbraw/zinc/40/21/61/419402161.db2.gz KIAPDALGCNLUHU-ZNMIVQPWSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000657880024 419402164 /nfs/dbraw/zinc/40/21/64/419402164.db2.gz KIAPDALGCNLUHU-ZNMIVQPWSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662246400 419372001 /nfs/dbraw/zinc/37/20/01/419372001.db2.gz RQLNYLNMAPCCGZ-QWHCGFSZSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C(C)(C)C(F)F ZINC000657824644 419373026 /nfs/dbraw/zinc/37/30/26/419373026.db2.gz SARSNCHQEDJANN-LLVKDONJSA-N 2 1 262.388 3.130 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CC(CF)(CF)C1)Cc1ccccc1 ZINC000657825546 419374149 /nfs/dbraw/zinc/37/41/49/419374149.db2.gz YSMDHOGDQVBMAY-UHFFFAOYSA-N 2 1 296.405 3.186 20 0 CGADMP C[C@@](C[NH3+])([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000662248119 419374377 /nfs/dbraw/zinc/37/43/77/419374377.db2.gz UIBXZETVIOCDLS-KYJSFNMBSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+]1CCCC1 ZINC000657834292 419378533 /nfs/dbraw/zinc/37/85/33/419378533.db2.gz RHRAUPWDCQMHAU-CHWSQXEVSA-N 2 1 276.415 3.376 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCc2ccccc21 ZINC000662272504 419380425 /nfs/dbraw/zinc/38/04/25/419380425.db2.gz FVQMIGHYVPOTAZ-IRXDYDNUSA-N 2 1 272.436 3.310 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)F)nc1)C[NH+]1CCCC1 ZINC000657842558 419384004 /nfs/dbraw/zinc/38/40/04/419384004.db2.gz CNOUMRTUHCKSGX-STQMWFEESA-N 2 1 297.393 3.402 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657847026 419385588 /nfs/dbraw/zinc/38/55/88/419385588.db2.gz ZLAFLNSIEPPKRU-STQMWFEESA-N 2 1 297.393 3.402 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657847026 419385593 /nfs/dbraw/zinc/38/55/93/419385593.db2.gz ZLAFLNSIEPPKRU-STQMWFEESA-N 2 1 297.393 3.402 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293962 419385972 /nfs/dbraw/zinc/38/59/72/419385972.db2.gz YKVMUXYPOBBOOC-SNVBAGLBSA-N 2 1 285.229 3.179 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293962 419385977 /nfs/dbraw/zinc/38/59/77/419385977.db2.gz YKVMUXYPOBBOOC-SNVBAGLBSA-N 2 1 285.229 3.179 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347882 419568467 /nfs/dbraw/zinc/56/84/67/419568467.db2.gz ZECBHVLKFSQIHO-HYVNUMGLSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000658034468 419511879 /nfs/dbraw/zinc/51/18/79/419511879.db2.gz GAYUEYUNAKFPAI-XUWVNRHRSA-N 2 1 264.457 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@@H](C)C1 ZINC000658126696 419603779 /nfs/dbraw/zinc/60/37/79/419603779.db2.gz HNSNNYUGNXGYPJ-YJBOKZPZSA-N 2 1 297.446 3.097 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467734 419621556 /nfs/dbraw/zinc/62/15/56/419621556.db2.gz HQCKVIUNGGHQLG-RDJZCZTQSA-N 2 1 290.451 3.312 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469527 419626711 /nfs/dbraw/zinc/62/67/11/419626711.db2.gz QCFMYRIELZWCEJ-WMLDXEAASA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663470570 419628019 /nfs/dbraw/zinc/62/80/19/419628019.db2.gz VHQCSZKZKVTPHD-DZGCQCFKSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663470570 419628025 /nfs/dbraw/zinc/62/80/25/419628025.db2.gz VHQCSZKZKVTPHD-DZGCQCFKSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(c3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000663476215 419631023 /nfs/dbraw/zinc/63/10/23/419631023.db2.gz YXOXHYNUCGQHPR-SZVBFZGTSA-N 2 1 286.463 3.427 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000658230543 419690400 /nfs/dbraw/zinc/69/04/00/419690400.db2.gz ZWEHDWBIDQHPLT-SJLPKXTDSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCOCC1 ZINC000658230543 419690413 /nfs/dbraw/zinc/69/04/13/419690413.db2.gz ZWEHDWBIDQHPLT-SJLPKXTDSA-N 2 1 294.483 3.188 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000394491536 261087447 /nfs/dbraw/zinc/08/74/47/261087447.db2.gz CLPJXDCVPOOVNZ-LBPRGKRZSA-N 2 1 252.427 3.191 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221835966 262304574 /nfs/dbraw/zinc/30/45/74/262304574.db2.gz JTWLKOHHJOLUCX-XIRDDKMYSA-N 2 1 260.425 3.456 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221835966 262304575 /nfs/dbraw/zinc/30/45/75/262304575.db2.gz JTWLKOHHJOLUCX-XIRDDKMYSA-N 2 1 260.425 3.456 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000189294700 264287785 /nfs/dbraw/zinc/28/77/85/264287785.db2.gz ABNRGZWAHOTICI-MRXNPFEDSA-N 2 1 297.446 3.437 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000045690604 270038950 /nfs/dbraw/zinc/03/89/50/270038950.db2.gz RVWHNZBBURIAPZ-HZPDHXFCSA-N 2 1 262.441 3.328 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000186688042 270067009 /nfs/dbraw/zinc/06/70/09/270067009.db2.gz NDWCFPUFIOSQME-QGZVFWFLSA-N 2 1 296.499 3.388 20 0 CGADMP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000186881329 270067401 /nfs/dbraw/zinc/06/74/01/270067401.db2.gz JNTMOIXGZPJSNB-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000194717961 270082684 /nfs/dbraw/zinc/08/26/84/270082684.db2.gz WIARLQKUJMOWJF-OAHLLOKOSA-N 2 1 252.446 3.443 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000227299013 270087122 /nfs/dbraw/zinc/08/71/22/270087122.db2.gz SNWPNBLYTPJHAW-KBRIMQKVSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CC2)CC[N@H+]1C ZINC000227299013 270087123 /nfs/dbraw/zinc/08/71/23/270087123.db2.gz SNWPNBLYTPJHAW-KBRIMQKVSA-N 2 1 258.409 3.210 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000228828273 270088068 /nfs/dbraw/zinc/08/80/68/270088068.db2.gz NJVHCXBNLZVPEX-UHFFFAOYSA-N 2 1 278.415 3.393 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000228828273 270088069 /nfs/dbraw/zinc/08/80/69/270088069.db2.gz NJVHCXBNLZVPEX-UHFFFAOYSA-N 2 1 278.415 3.393 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C(C)C)C1 ZINC000250336187 270091288 /nfs/dbraw/zinc/09/12/88/270091288.db2.gz PDUJPVQXNZBQLY-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP c1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)ccn1 ZINC000522007163 270103736 /nfs/dbraw/zinc/10/37/36/270103736.db2.gz BUYNOBJTLXYFKE-IBGZPJMESA-N 2 1 293.414 3.064 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000527639221 270130513 /nfs/dbraw/zinc/13/05/13/270130513.db2.gz RLVYXZFXKKEYQM-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000527639221 270130514 /nfs/dbraw/zinc/13/05/14/270130514.db2.gz RLVYXZFXKKEYQM-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CC23CC3)C1 ZINC000527868223 270140907 /nfs/dbraw/zinc/14/09/07/270140907.db2.gz CPCZMLDFPUAXKK-OAGGEKHMSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527855627 270140058 /nfs/dbraw/zinc/14/00/58/270140058.db2.gz YXQIIDPJIULETB-APWZRJJASA-N 2 1 298.474 3.472 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC23CC(C2)CO3)cc1 ZINC000527986115 270148425 /nfs/dbraw/zinc/14/84/25/270148425.db2.gz VUBSGQVLEHIGQX-MJJDPTRDSA-N 2 1 297.402 3.010 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568540 270185284 /nfs/dbraw/zinc/18/52/84/270185284.db2.gz BEBVYMZBJPIWRZ-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568540 270185285 /nfs/dbraw/zinc/18/52/85/270185285.db2.gz BEBVYMZBJPIWRZ-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568540 270185286 /nfs/dbraw/zinc/18/52/86/270185286.db2.gz BEBVYMZBJPIWRZ-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000530242748 270197364 /nfs/dbraw/zinc/19/73/64/270197364.db2.gz CXFSDMIHMRMDIP-ZFWWWQNUSA-N 2 1 266.816 3.290 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000530249277 270197521 /nfs/dbraw/zinc/19/75/21/270197521.db2.gz UOVSZMRYFASFNP-GOEBONIOSA-N 2 1 252.446 3.134 20 0 CGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517588 270200662 /nfs/dbraw/zinc/20/06/62/270200662.db2.gz DEGXIAXWMAGFKY-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517588 270200663 /nfs/dbraw/zinc/20/06/63/270200663.db2.gz DEGXIAXWMAGFKY-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517588 270200664 /nfs/dbraw/zinc/20/06/64/270200664.db2.gz DEGXIAXWMAGFKY-IRXDYDNUSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000532785353 270219527 /nfs/dbraw/zinc/21/95/27/270219527.db2.gz WZENOKDTNGNMKO-HOTGVXAUSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000532785353 270219528 /nfs/dbraw/zinc/21/95/28/270219528.db2.gz WZENOKDTNGNMKO-HOTGVXAUSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000132234690 274239074 /nfs/dbraw/zinc/23/90/74/274239074.db2.gz JYYBJENSKNJXOG-ZIAGYGMSSA-N 2 1 278.399 3.426 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423046319 274307812 /nfs/dbraw/zinc/30/78/12/274307812.db2.gz UABKKEOYYCKDAZ-JEBQAFNWSA-N 2 1 288.410 3.349 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2ccccc21 ZINC000131596776 274385078 /nfs/dbraw/zinc/38/50/78/274385078.db2.gz AISCJTVHJQCOIY-KGLIPLIRSA-N 2 1 254.377 3.009 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)CC[NH2+]1 ZINC000414708358 274385660 /nfs/dbraw/zinc/38/56/60/274385660.db2.gz NSZUBWSADXGODJ-AGIUHOORSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000423130624 274516073 /nfs/dbraw/zinc/51/60/73/274516073.db2.gz GYDKASVGCPNFHA-OWQGQXMQSA-N 2 1 281.403 3.339 20 0 CGADMP C([NH2+]C(C1CCC1)C1CCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336813948 275394458 /nfs/dbraw/zinc/39/44/58/275394458.db2.gz VXYGMTSILYGDHW-CYBMUJFWSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+]1CCCC1 ZINC000370062863 275670702 /nfs/dbraw/zinc/67/07/02/275670702.db2.gz MVXKKTCCNZUKQV-LXPRWKDFSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC12CCC2)[NH+]1CCCC1 ZINC000337382004 275671017 /nfs/dbraw/zinc/67/10/17/275671017.db2.gz DZZUYYFZIASBFB-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000474615380 275678873 /nfs/dbraw/zinc/67/88/73/275678873.db2.gz JGSBBHOEXFGZBH-OWCLPIDISA-N 2 1 252.446 3.131 20 0 CGADMP CCC(CC)[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000459450717 275958422 /nfs/dbraw/zinc/95/84/22/275958422.db2.gz OSOCXHVCPGFRJP-KRWDZBQOSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414812717 275984809 /nfs/dbraw/zinc/98/48/09/275984809.db2.gz LJJGUQCXAFYEQO-QJPTWQEYSA-N 2 1 266.351 3.215 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000427690150 276019405 /nfs/dbraw/zinc/01/94/05/276019405.db2.gz MBYRSOAOSATYBZ-NJAFHUGGSA-N 2 1 274.452 3.326 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000427690150 276019407 /nfs/dbraw/zinc/01/94/07/276019407.db2.gz MBYRSOAOSATYBZ-NJAFHUGGSA-N 2 1 274.452 3.326 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(OC)CCCCC2)C[C@@H]1C ZINC000361563195 276398751 /nfs/dbraw/zinc/39/87/51/276398751.db2.gz FGGFSPPYQLWZBW-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(OC)CCCCC2)C[C@@H]1C ZINC000361563195 276398752 /nfs/dbraw/zinc/39/87/52/276398752.db2.gz FGGFSPPYQLWZBW-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(OC)CCCCC2)C[C@@H]1C ZINC000361563195 276398754 /nfs/dbraw/zinc/39/87/54/276398754.db2.gz FGGFSPPYQLWZBW-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCC3(CCCC3)CC2)CCOCC1 ZINC000352825473 276753949 /nfs/dbraw/zinc/75/39/49/276753949.db2.gz TVZMRVLLVHTJSK-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@@H+]([C@H]1CC[C@@](C)(c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000414651694 277002591 /nfs/dbraw/zinc/00/25/91/277002591.db2.gz FVTSUUFRCHDSOZ-ZWKOTPCHSA-N 2 1 272.436 3.181 20 0 CGADMP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000261669625 277020224 /nfs/dbraw/zinc/02/02/24/277020224.db2.gz FVQFVWVJWIKJKV-NSHDSACASA-N 2 1 286.341 3.450 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000181007282 277031140 /nfs/dbraw/zinc/03/11/40/277031140.db2.gz ROIJSRLMIQZEEG-DLBZAZTESA-N 2 1 272.436 3.253 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(F)(F)F)C1 ZINC000355896759 277046347 /nfs/dbraw/zinc/04/63/47/277046347.db2.gz QCXJNJRJFRITPY-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(F)(F)F)C1 ZINC000355896759 277046349 /nfs/dbraw/zinc/04/63/49/277046349.db2.gz QCXJNJRJFRITPY-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000355896759 277046351 /nfs/dbraw/zinc/04/63/51/277046351.db2.gz QCXJNJRJFRITPY-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000355896759 277046353 /nfs/dbraw/zinc/04/63/53/277046353.db2.gz QCXJNJRJFRITPY-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433702 277086917 /nfs/dbraw/zinc/08/69/17/277086917.db2.gz WWJLULAWCUPQEI-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433702 277086919 /nfs/dbraw/zinc/08/69/19/277086919.db2.gz WWJLULAWCUPQEI-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433702 277086920 /nfs/dbraw/zinc/08/69/20/277086920.db2.gz WWJLULAWCUPQEI-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433702 277086921 /nfs/dbraw/zinc/08/69/21/277086921.db2.gz WWJLULAWCUPQEI-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000394537166 288002425 /nfs/dbraw/zinc/00/24/25/288002425.db2.gz PPKRLTNZHKFICB-MRXNPFEDSA-N 2 1 252.446 3.421 20 0 CGADMP CSC1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000368218213 278123730 /nfs/dbraw/zinc/12/37/30/278123730.db2.gz WGXJLVLJIRYXIL-OAHLLOKOSA-N 2 1 282.497 3.080 20 0 CGADMP CSC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274933612 278137327 /nfs/dbraw/zinc/13/73/27/278137327.db2.gz RKSUPZVRATYAST-UXLLHSPISA-N 2 1 292.492 3.238 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000397306102 288022914 /nfs/dbraw/zinc/02/29/14/288022914.db2.gz MSCJYZBICYBMGT-MXWKQRLJSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000397306102 288022917 /nfs/dbraw/zinc/02/29/17/288022917.db2.gz MSCJYZBICYBMGT-MXWKQRLJSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000397343083 288023073 /nfs/dbraw/zinc/02/30/73/288023073.db2.gz QZESARSTDVILIZ-FRRDWIJNSA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000397343083 288023074 /nfs/dbraw/zinc/02/30/74/288023074.db2.gz QZESARSTDVILIZ-FRRDWIJNSA-N 2 1 289.448 3.102 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CC1(C)C ZINC000397595860 288024723 /nfs/dbraw/zinc/02/47/23/288024723.db2.gz DJOWIGBMBXCHOV-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]CC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347938377 278256333 /nfs/dbraw/zinc/25/63/33/278256333.db2.gz SGVIZSOGXNJOGT-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000436299222 278264728 /nfs/dbraw/zinc/26/47/28/278264728.db2.gz RKSOLBXYHVKNCI-LZLYRXPVSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CCOCC1 ZINC000366632592 278264751 /nfs/dbraw/zinc/26/47/51/278264751.db2.gz IJWSZCSXVHLFAB-MAUKXSAKSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(CO)c1 ZINC000245637567 278344738 /nfs/dbraw/zinc/34/47/38/278344738.db2.gz WEWXKGWDNIKOLU-JKSUJKDBSA-N 2 1 290.451 3.094 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000423356897 278376885 /nfs/dbraw/zinc/37/68/85/278376885.db2.gz HLQGGTOBIROAFK-KPHYFBGPSA-N 2 1 292.389 3.331 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000335034149 278386285 /nfs/dbraw/zinc/38/62/85/278386285.db2.gz JIPFRZMCTBOPHH-RNCFNFMXSA-N 2 1 282.840 3.074 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129711764 288069517 /nfs/dbraw/zinc/06/95/17/288069517.db2.gz GGLIUTLUCSLARH-UNEWFSDZSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129711764 288069520 /nfs/dbraw/zinc/06/95/20/288069520.db2.gz GGLIUTLUCSLARH-UNEWFSDZSA-N 2 1 276.424 3.219 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccoc1 ZINC000423385639 278797002 /nfs/dbraw/zinc/79/70/02/278797002.db2.gz GUJSJLOATIVAHX-KBMXLJTQSA-N 2 1 264.413 3.345 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459385362 288087233 /nfs/dbraw/zinc/08/72/33/288087233.db2.gz HEKVPSSRWJJWDY-UHFFFAOYSA-N 2 1 269.392 3.249 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358142974 279022771 /nfs/dbraw/zinc/02/27/71/279022771.db2.gz SMVYHLSRVCVCFQ-GRZALLJUSA-N 2 1 270.420 3.136 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119672656 279023459 /nfs/dbraw/zinc/02/34/59/279023459.db2.gz QVDJHMITMXMPAR-ACJLOTCBSA-N 2 1 270.420 3.136 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2ccccc21 ZINC000049553260 279258365 /nfs/dbraw/zinc/25/83/65/279258365.db2.gz XOVDICDYVLBIFZ-OCCSQVGLSA-N 2 1 264.438 3.153 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449097620 279323563 /nfs/dbraw/zinc/32/35/63/279323563.db2.gz MPWHGIKFLDXQLS-YYIAUSFCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449097620 279323565 /nfs/dbraw/zinc/32/35/65/279323565.db2.gz MPWHGIKFLDXQLS-YYIAUSFCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)C[NH+](C)C ZINC000425936141 279351875 /nfs/dbraw/zinc/35/18/75/279351875.db2.gz HFKXFASLDJHBAB-OCCSQVGLSA-N 2 1 264.413 3.080 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCOc2ccccc21 ZINC000251224853 279367828 /nfs/dbraw/zinc/36/78/28/279367828.db2.gz PCOJJXKLPRLSKT-VYDXJSESSA-N 2 1 288.435 3.411 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCSCC1 ZINC000423258575 279500039 /nfs/dbraw/zinc/50/00/39/279500039.db2.gz BYMFFUZZDYAJMC-WFASDCNBSA-N 2 1 270.486 3.015 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCCCC1 ZINC000423258334 279500231 /nfs/dbraw/zinc/50/02/31/279500231.db2.gz BJAUSCWNSKVDAY-BBRMVZONSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000290163848 280009671 /nfs/dbraw/zinc/00/96/71/280009671.db2.gz DKKFKXVOSDNKRQ-GUYCJALGSA-N 2 1 256.393 3.086 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[C@@H]1CCOC1 ZINC000482868913 280185314 /nfs/dbraw/zinc/18/53/14/280185314.db2.gz MFERXAODZGCNQW-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[C@@H]1CCOC1 ZINC000482868913 280185317 /nfs/dbraw/zinc/18/53/17/280185317.db2.gz MFERXAODZGCNQW-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cnn1C(C)C ZINC000423268226 280255908 /nfs/dbraw/zinc/25/59/08/280255908.db2.gz UMQWXJOKSKCBRW-GUYCJALGSA-N 2 1 292.471 3.331 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537788 288260358 /nfs/dbraw/zinc/26/03/58/288260358.db2.gz VIZWWWARSOCHPS-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537788 288260360 /nfs/dbraw/zinc/26/03/60/288260360.db2.gz VIZWWWARSOCHPS-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537788 288260362 /nfs/dbraw/zinc/26/03/62/288260362.db2.gz VIZWWWARSOCHPS-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)CC3 ZINC000414853708 281035485 /nfs/dbraw/zinc/03/54/85/281035485.db2.gz SUTCOXRKBXQZKW-HUUCEWRRSA-N 2 1 299.462 3.297 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530213581 288300812 /nfs/dbraw/zinc/30/08/12/288300812.db2.gz ANYBYDFSCLFDMT-WBMJQRKESA-N 2 1 294.389 3.160 20 0 CGADMP CCC[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)OCC ZINC000530210963 288300371 /nfs/dbraw/zinc/30/03/71/288300371.db2.gz KRQZDEOJXNSBKH-KSZLIROESA-N 2 1 290.451 3.275 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179073 288295926 /nfs/dbraw/zinc/29/59/26/288295926.db2.gz SOXCPNOBEGJIEV-SWLSCSKDSA-N 2 1 278.827 3.145 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140954 281355928 /nfs/dbraw/zinc/35/59/28/281355928.db2.gz TZMGVXUUYGDXHW-CQSZACIVSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359183544 281365671 /nfs/dbraw/zinc/36/56/71/281365671.db2.gz AKCSAAQECPCVCU-QGZVFWFLSA-N 2 1 272.436 3.174 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC000531101095 288329316 /nfs/dbraw/zinc/32/93/16/288329316.db2.gz CDCNFOLPNZTEKU-GOSISDBHSA-N 2 1 298.474 3.339 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000531101095 288329319 /nfs/dbraw/zinc/32/93/19/288329319.db2.gz CDCNFOLPNZTEKU-GOSISDBHSA-N 2 1 298.474 3.339 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000531101095 288329322 /nfs/dbraw/zinc/32/93/22/288329322.db2.gz CDCNFOLPNZTEKU-GOSISDBHSA-N 2 1 298.474 3.339 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H](C(C)C)C1CC1)[NH+](C)C ZINC000532458857 288362033 /nfs/dbraw/zinc/36/20/33/288362033.db2.gz RLIJWXMTWGCEDI-HZPDHXFCSA-N 2 1 254.462 3.377 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552058051 289156239 /nfs/dbraw/zinc/15/62/39/289156239.db2.gz SSKRGILBQPNHIR-PSBJXWQHSA-N 2 1 270.420 3.162 20 0 CGADMP Cc1ccsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552062350 289157522 /nfs/dbraw/zinc/15/75/22/289157522.db2.gz VDXYWRXNEYRTFY-RBSFLKMASA-N 2 1 278.465 3.061 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554049598 289253603 /nfs/dbraw/zinc/25/36/03/289253603.db2.gz UHJWFOIKUDFMAC-OALUTQOASA-N 2 1 284.447 3.429 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000554362738 289275476 /nfs/dbraw/zinc/27/54/76/289275476.db2.gz ZAUZXOYUSHSXPB-BMFZPTHFSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554364284 289276000 /nfs/dbraw/zinc/27/60/00/289276000.db2.gz XJZXWZDVURQEFS-YZGWKJHDSA-N 2 1 298.474 3.329 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3C=CCCCCC3)CC[C@@H]21 ZINC000555379295 289342817 /nfs/dbraw/zinc/34/28/17/289342817.db2.gz AUZODJFXMRZDNQ-IKGGRYGDSA-N 2 1 262.441 3.291 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3C=CCCCCC3)CC[C@@H]21 ZINC000555379295 289342821 /nfs/dbraw/zinc/34/28/21/289342821.db2.gz AUZODJFXMRZDNQ-IKGGRYGDSA-N 2 1 262.441 3.291 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3C=CCCCCC3)CC[C@@H]21 ZINC000555379295 289342825 /nfs/dbraw/zinc/34/28/25/289342825.db2.gz AUZODJFXMRZDNQ-IKGGRYGDSA-N 2 1 262.441 3.291 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3C=CCCCCC3)CC[C@@H]21 ZINC000555379295 289342827 /nfs/dbraw/zinc/34/28/27/289342827.db2.gz AUZODJFXMRZDNQ-IKGGRYGDSA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000556583735 289398313 /nfs/dbraw/zinc/39/83/13/289398313.db2.gz KWKFBROJHFESPD-GJZGRUSLSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C(C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C(C)C ZINC000561288700 289632260 /nfs/dbraw/zinc/63/22/60/289632260.db2.gz CNKYNKXGASRPLQ-UHFFFAOYSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423192624 290045994 /nfs/dbraw/zinc/04/59/94/290045994.db2.gz PVXSONWMXHHZRI-WTIISPKJSA-N 2 1 278.362 3.085 20 0 CGADMP Cn1cccc1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000189093600 294388231 /nfs/dbraw/zinc/38/82/31/294388231.db2.gz ZLCAGNHLTSQGKV-KRWDZBQOSA-N 2 1 275.440 3.038 20 0 CGADMP Cn1cccc1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000189093600 294388236 /nfs/dbraw/zinc/38/82/36/294388236.db2.gz ZLCAGNHLTSQGKV-KRWDZBQOSA-N 2 1 275.440 3.038 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420316104 295223676 /nfs/dbraw/zinc/22/36/76/295223676.db2.gz MLHDQWBTJTWGKS-YJBOKZPZSA-N 2 1 288.435 3.222 20 0 CGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CC(C)C)cc1 ZINC000423324875 295225385 /nfs/dbraw/zinc/22/53/85/295225385.db2.gz IKGIGRIILNZBAZ-FHLIZLRMSA-N 2 1 290.451 3.165 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423389824 297109764 /nfs/dbraw/zinc/10/97/64/297109764.db2.gz JUAJEBSXIJWRFK-KCPJHIHWSA-N 2 1 294.826 3.141 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]([NH3+])C(C)C)CCCO2 ZINC000423277438 301212687 /nfs/dbraw/zinc/21/26/87/301212687.db2.gz PPJSHUOKZWCQRU-JKSUJKDBSA-N 2 1 276.424 3.090 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000582861623 329278014 /nfs/dbraw/zinc/27/80/14/329278014.db2.gz PFQQFDUQKZRKNV-JYJNAYRXSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc2c(s1)CCCC2 ZINC000401781495 321969372 /nfs/dbraw/zinc/96/93/72/321969372.db2.gz QIEZSCIPYSVDBH-GFCCVEGCSA-N 2 1 289.448 3.254 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000563486183 322000243 /nfs/dbraw/zinc/00/02/43/322000243.db2.gz WNVFEULTQDMYIY-HZSPNIEDSA-N 2 1 261.413 3.216 20 0 CGADMP Clc1cc2c(s1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000563535596 322001969 /nfs/dbraw/zinc/00/19/69/322001969.db2.gz GNAAGMVSFNGQSF-NSHDSACASA-N 2 1 284.856 3.149 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1nccn1-c1ccccc1 ZINC000563951083 322016513 /nfs/dbraw/zinc/01/65/13/322016513.db2.gz OKXCCEKMMBKDTP-UXLLHSPISA-N 2 1 298.434 3.040 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)cc1F ZINC000564327314 322027766 /nfs/dbraw/zinc/02/77/66/322027766.db2.gz YOGZAKAGNHINPM-SSDWJNDTSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)cc1F ZINC000564327314 322027767 /nfs/dbraw/zinc/02/77/67/322027767.db2.gz YOGZAKAGNHINPM-SSDWJNDTSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000564327314 322027770 /nfs/dbraw/zinc/02/77/70/322027770.db2.gz YOGZAKAGNHINPM-SSDWJNDTSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000564327314 322027772 /nfs/dbraw/zinc/02/77/72/322027772.db2.gz YOGZAKAGNHINPM-SSDWJNDTSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000565579115 322082809 /nfs/dbraw/zinc/08/28/09/322082809.db2.gz SGYPKSSLYHWWLI-MWDXBVQZSA-N 2 1 282.472 3.187 20 0 CGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000565768863 322090377 /nfs/dbraw/zinc/09/03/77/322090377.db2.gz LKEPJATXEOWOFU-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000565768863 322090379 /nfs/dbraw/zinc/09/03/79/322090379.db2.gz LKEPJATXEOWOFU-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C[C@H]1OC ZINC000565811045 322092131 /nfs/dbraw/zinc/09/21/31/322092131.db2.gz SJRVEJQKGKETGQ-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000565863123 322094454 /nfs/dbraw/zinc/09/44/54/322094454.db2.gz ONDQMZMHOQZJFP-CABCVRRESA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000565863123 322094457 /nfs/dbraw/zinc/09/44/57/322094457.db2.gz ONDQMZMHOQZJFP-CABCVRRESA-N 2 1 280.431 3.465 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000566230278 322110731 /nfs/dbraw/zinc/11/07/31/322110731.db2.gz XTDFVMPEJOILLG-MNOVXSKESA-N 2 1 293.411 3.165 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000566961395 322144872 /nfs/dbraw/zinc/14/48/72/322144872.db2.gz HUIZHRPRTJADGM-OCCSQVGLSA-N 2 1 266.454 3.047 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCC(F)(F)F)C1 ZINC000567429731 322163011 /nfs/dbraw/zinc/16/30/11/322163011.db2.gz ZTNCJDWPIZPTRQ-NEPJUHHUSA-N 2 1 266.351 3.037 20 0 CGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000568768400 322222350 /nfs/dbraw/zinc/22/23/50/322222350.db2.gz RHJJMEOOCGBLMJ-DLBZAZTESA-N 2 1 296.499 3.028 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000569325239 322243241 /nfs/dbraw/zinc/24/32/41/322243241.db2.gz BYJMOYJZURHJNM-AWEZNQCLSA-N 2 1 282.378 3.446 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2Cc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000569442938 322247218 /nfs/dbraw/zinc/24/72/18/322247218.db2.gz CHGDIUGOGHQMNR-UFYCRDLUSA-N 2 1 298.474 3.254 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000569495736 322248879 /nfs/dbraw/zinc/24/88/79/322248879.db2.gz LPDDNCLNNDHFES-AWEZNQCLSA-N 2 1 275.421 3.251 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000569495736 322248880 /nfs/dbraw/zinc/24/88/80/322248880.db2.gz LPDDNCLNNDHFES-AWEZNQCLSA-N 2 1 275.421 3.251 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570514713 322275261 /nfs/dbraw/zinc/27/52/61/322275261.db2.gz UBPAEXAIPQWXTJ-NJAFHUGGSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570514713 322275262 /nfs/dbraw/zinc/27/52/62/322275262.db2.gz UBPAEXAIPQWXTJ-NJAFHUGGSA-N 2 1 284.447 3.429 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000570556240 322276585 /nfs/dbraw/zinc/27/65/85/322276585.db2.gz WXZGXQQWBYJBDZ-ONIAQPFYSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000570556240 322276587 /nfs/dbraw/zinc/27/65/87/322276587.db2.gz WXZGXQQWBYJBDZ-ONIAQPFYSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000570972512 322286657 /nfs/dbraw/zinc/28/66/57/322286657.db2.gz FLJWOOMMLLYFSW-QGZVFWFLSA-N 2 1 290.451 3.166 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000571431237 322298675 /nfs/dbraw/zinc/29/86/75/322298675.db2.gz LLZJTAZVASHPDE-CYBMUJFWSA-N 2 1 260.381 3.472 20 0 CGADMP C[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759358 322307005 /nfs/dbraw/zinc/30/70/05/322307005.db2.gz MPIDCSOBAQRCRN-KRWDZBQOSA-N 2 1 290.451 3.008 20 0 CGADMP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000572879816 322358978 /nfs/dbraw/zinc/35/89/78/322358978.db2.gz YPUCYZDVKJWFDI-RKDXNWHRSA-N 2 1 291.222 3.217 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@@H]1C ZINC000381459420 327534633 /nfs/dbraw/zinc/53/46/33/327534633.db2.gz VBZQPFIHVBEJSD-QCODTGAPSA-N 2 1 252.446 3.131 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000584358962 329103762 /nfs/dbraw/zinc/10/37/62/329103762.db2.gz MOHVZKZLGDTHRO-IBGZPJMESA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000584358962 329103764 /nfs/dbraw/zinc/10/37/64/329103764.db2.gz MOHVZKZLGDTHRO-IBGZPJMESA-N 2 1 297.446 3.450 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000395167382 329277991 /nfs/dbraw/zinc/27/79/91/329277991.db2.gz XLBBZVSTFILALN-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000580493514 330349251 /nfs/dbraw/zinc/34/92/51/330349251.db2.gz LERNRZONSRFZJS-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000580493514 330349252 /nfs/dbraw/zinc/34/92/52/330349252.db2.gz LERNRZONSRFZJS-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CCC1 ZINC000576718992 335239876 /nfs/dbraw/zinc/23/98/76/335239876.db2.gz MEMVKJWTXXACFW-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000577029433 335284598 /nfs/dbraw/zinc/28/45/98/335284598.db2.gz QVIASFADZJAORC-NUEKZKHPSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000577029433 335284600 /nfs/dbraw/zinc/28/46/00/335284600.db2.gz QVIASFADZJAORC-NUEKZKHPSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000380978310 336042406 /nfs/dbraw/zinc/04/24/06/336042406.db2.gz YSAAKLSZVJMEJU-BZOOQXSSSA-N 2 1 278.415 3.390 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000380978310 336042408 /nfs/dbraw/zinc/04/24/08/336042408.db2.gz YSAAKLSZVJMEJU-BZOOQXSSSA-N 2 1 278.415 3.390 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000581496455 336089901 /nfs/dbraw/zinc/08/99/01/336089901.db2.gz IGMORPJVYJXRFX-GOSISDBHSA-N 2 1 297.446 3.307 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000581496455 336089903 /nfs/dbraw/zinc/08/99/03/336089903.db2.gz IGMORPJVYJXRFX-GOSISDBHSA-N 2 1 297.446 3.307 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000383737271 336117154 /nfs/dbraw/zinc/11/71/54/336117154.db2.gz GWGOYGNPCKULMU-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000581913992 336165025 /nfs/dbraw/zinc/16/50/25/336165025.db2.gz IZXRMSAGRAFWGQ-XQQFMLRXSA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000581913992 336165026 /nfs/dbraw/zinc/16/50/26/336165026.db2.gz IZXRMSAGRAFWGQ-XQQFMLRXSA-N 2 1 280.378 3.426 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423301767 533768768 /nfs/dbraw/zinc/76/87/68/533768768.db2.gz GJGBWABTTAKAON-LBPRGKRZSA-N 2 1 290.357 3.239 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000414069095 533809339 /nfs/dbraw/zinc/80/93/39/533809339.db2.gz RHVAGKNWPXIULM-GJYPPUQNSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423310705 533898063 /nfs/dbraw/zinc/89/80/63/533898063.db2.gz AUXASQXUJSQIMD-LRDDRELGSA-N 2 1 260.425 3.372 20 0 CGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423369789 533913634 /nfs/dbraw/zinc/91/36/34/533913634.db2.gz OQMMKEWWCYWVKJ-KBPBESRZSA-N 2 1 284.403 3.360 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000425385195 533988346 /nfs/dbraw/zinc/98/83/46/533988346.db2.gz REBSSLZFSDLHQO-HRCADAONSA-N 2 1 282.497 3.267 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000425385195 533988362 /nfs/dbraw/zinc/98/83/62/533988362.db2.gz REBSSLZFSDLHQO-HRCADAONSA-N 2 1 282.497 3.267 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521752 534128331 /nfs/dbraw/zinc/12/83/31/534128331.db2.gz YQBHICADCPJQNE-CYBMUJFWSA-N 2 1 278.827 3.477 20 0 CGADMP CCCCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000746667251 572888982 /nfs/dbraw/zinc/88/89/82/572888982.db2.gz FMEUZLKXBLVWIE-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCCCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746667251 572888986 /nfs/dbraw/zinc/88/89/86/572888986.db2.gz FMEUZLKXBLVWIE-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCCCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000746667251 572888990 /nfs/dbraw/zinc/88/89/90/572888990.db2.gz FMEUZLKXBLVWIE-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183359 534432433 /nfs/dbraw/zinc/43/24/33/534432433.db2.gz GLQGKWHBCDIIGM-IRXDYDNUSA-N 2 1 293.430 3.069 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000366623293 534450058 /nfs/dbraw/zinc/45/00/58/534450058.db2.gz FOCVEESBMHCGEP-RUEOWNRQSA-N 2 1 290.426 3.390 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000151132461 519862341 /nfs/dbraw/zinc/86/23/41/519862341.db2.gz JYYPVGHCVZSCFT-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccncc2)CC1 ZINC000097476093 520400960 /nfs/dbraw/zinc/40/09/60/520400960.db2.gz PMHPXHKONKRNES-UHFFFAOYSA-N 2 1 289.467 3.068 20 0 CGADMP Fc1cnccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000449220431 534538582 /nfs/dbraw/zinc/53/85/82/534538582.db2.gz QERMSJJMALKZLN-UHFFFAOYSA-N 2 1 299.393 3.106 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000037643755 521717394 /nfs/dbraw/zinc/71/73/94/521717394.db2.gz VLNJRQTTZKWMPL-GFCCVEGCSA-N 2 1 286.341 3.137 20 0 CGADMP CCn1cc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cn1 ZINC000155830009 523470226 /nfs/dbraw/zinc/47/02/26/523470226.db2.gz TZBCMMDFTQBFGE-HNNXBMFYSA-N 2 1 280.460 3.063 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423331331 534877779 /nfs/dbraw/zinc/87/77/79/534877779.db2.gz PXJPQYCZMWLQRZ-SNVBAGLBSA-N 2 1 267.442 3.107 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000184380325 526214530 /nfs/dbraw/zinc/21/45/30/526214530.db2.gz URWNWJNTAFTJBJ-HNNXBMFYSA-N 2 1 287.451 3.448 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000184260340 526215685 /nfs/dbraw/zinc/21/56/85/526215685.db2.gz RYCRHGQEVHJEHC-HOTGVXAUSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000184260340 526215693 /nfs/dbraw/zinc/21/56/93/526215693.db2.gz RYCRHGQEVHJEHC-HOTGVXAUSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000049330293 527433048 /nfs/dbraw/zinc/43/30/48/527433048.db2.gz NQPWNGFXAVCAKR-LLVKDONJSA-N 2 1 263.772 3.196 20 0 CGADMP C([NH2+]C1CCSCC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366663536 527489776 /nfs/dbraw/zinc/48/97/76/527489776.db2.gz HKBJTZGWEHUQHG-MRXNPFEDSA-N 2 1 282.497 3.269 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000358039994 527883017 /nfs/dbraw/zinc/88/30/17/527883017.db2.gz AWSZGDISKSCICJ-PBHICJAKSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000358039994 527883022 /nfs/dbraw/zinc/88/30/22/527883022.db2.gz AWSZGDISKSCICJ-PBHICJAKSA-N 2 1 283.419 3.055 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc3cccnc3o2)CC1 ZINC000449018201 528195951 /nfs/dbraw/zinc/19/59/51/528195951.db2.gz RTLYOUAQCGMWNN-UHFFFAOYSA-N 2 1 287.407 3.134 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3cccnc3o2)CC1 ZINC000449018201 528195954 /nfs/dbraw/zinc/19/59/54/528195954.db2.gz RTLYOUAQCGMWNN-UHFFFAOYSA-N 2 1 287.407 3.134 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423274949 528310115 /nfs/dbraw/zinc/31/01/15/528310115.db2.gz MPIPIXWHTPYXIT-RISCZKNCSA-N 2 1 299.256 3.473 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCCOC)CC1)CC(C)C ZINC000358744001 528430548 /nfs/dbraw/zinc/43/05/48/528430548.db2.gz LNCVCRSGRNMHQG-UHFFFAOYSA-N 2 1 284.488 3.103 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423338444 528588223 /nfs/dbraw/zinc/58/82/23/528588223.db2.gz ZEVSGOUJQSOARM-WMLDXEAASA-N 2 1 272.392 3.457 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000423304567 528819811 /nfs/dbraw/zinc/81/98/11/528819811.db2.gz YZPCYCJEHWFCHA-AAEUAGOBSA-N 2 1 268.376 3.002 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000437758991 528835324 /nfs/dbraw/zinc/83/53/24/528835324.db2.gz CQIIGYUOETVMLG-MRXNPFEDSA-N 2 1 290.451 3.043 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000423295207 528955651 /nfs/dbraw/zinc/95/56/51/528955651.db2.gz DPZLUDKXFPZXQQ-MSOLQXFVSA-N 2 1 274.452 3.423 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000121062428 528989156 /nfs/dbraw/zinc/98/91/56/528989156.db2.gz JBDVHIDNWNFYOZ-FUHWJXTLSA-N 2 1 272.436 3.397 20 0 CGADMP CCCCc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423505759 529028013 /nfs/dbraw/zinc/02/80/13/529028013.db2.gz GQBFIODPYOZKRG-CRAIPNDOSA-N 2 1 290.451 3.058 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC(F)F)cc1 ZINC000423317809 529173656 /nfs/dbraw/zinc/17/36/56/529173656.db2.gz KPVIVNOUPCPTBZ-ZIAGYGMSSA-N 2 1 284.350 3.066 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC(F)F)cc1 ZINC000423282073 529206396 /nfs/dbraw/zinc/20/63/96/529206396.db2.gz UTTYDGZJKCOIIO-ZIAGYGMSSA-N 2 1 284.350 3.066 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486693229 534947643 /nfs/dbraw/zinc/94/76/43/534947643.db2.gz IQZDUORLQGGHDO-ZDUSSCGKSA-N 2 1 289.398 3.129 20 0 CGADMP CC(C)[C@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCC(C)CC1 ZINC000486984627 535017307 /nfs/dbraw/zinc/01/73/07/535017307.db2.gz SRZIGWJAPGCFBH-CVEARBPZSA-N 2 1 284.513 3.086 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479541134 535474550 /nfs/dbraw/zinc/47/45/50/535474550.db2.gz LWIQOFDDOSCKCE-UHFFFAOYSA-N 2 1 285.435 3.359 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000480184374 535526336 /nfs/dbraw/zinc/52/63/36/535526336.db2.gz SJRBBLGCSYKATG-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000130174874 535937612 /nfs/dbraw/zinc/93/76/12/535937612.db2.gz KYSFGZUWAFGNOP-MCIONIFRSA-N 2 1 264.438 3.416 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2Cl)C1 ZINC000459721817 536384169 /nfs/dbraw/zinc/38/41/69/536384169.db2.gz AZBMXZBXIPNOMM-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000459744063 536892452 /nfs/dbraw/zinc/89/24/52/536892452.db2.gz XQCADOAJVBEDDQ-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP ClC1(Cl)C[C@@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738882778 572395979 /nfs/dbraw/zinc/39/59/79/572395979.db2.gz VJKVATZPUGSJSE-CHWSQXEVSA-N 2 1 291.266 3.131 20 0 CGADMP ClC1(Cl)C[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738882778 572395984 /nfs/dbraw/zinc/39/59/84/572395984.db2.gz VJKVATZPUGSJSE-CHWSQXEVSA-N 2 1 291.266 3.131 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000166132130 572459779 /nfs/dbraw/zinc/45/97/79/572459779.db2.gz PVXCCYWYKCCJLP-KXBFYZLASA-N 2 1 284.447 3.446 20 0 CGADMP CCC(CC)[N@@H+](CCOC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678152 618222232 /nfs/dbraw/zinc/22/22/32/618222232.db2.gz XYVZLXKTEHNESE-MQVJKMGUSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CCCOC)CCC2)C[C@@H]1C ZINC000892105277 618534142 /nfs/dbraw/zinc/53/41/42/618534142.db2.gz YVRJMSARSDFBMP-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CCCOC)CCC2)C[C@@H]1C ZINC000892105277 618534149 /nfs/dbraw/zinc/53/41/49/618534149.db2.gz YVRJMSARSDFBMP-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CCCOC)CCC2)C[C@@H]1C ZINC000892105277 618534156 /nfs/dbraw/zinc/53/41/56/618534156.db2.gz YVRJMSARSDFBMP-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000067222694 618750249 /nfs/dbraw/zinc/75/02/49/618750249.db2.gz QPBHOBMPJKFRLW-SQWLQELKSA-N 2 1 276.424 3.225 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000067222694 618750252 /nfs/dbraw/zinc/75/02/52/618750252.db2.gz QPBHOBMPJKFRLW-SQWLQELKSA-N 2 1 276.424 3.225 20 0 CGADMP CC(C)(C[NH2+]C1CC2(C1)COC(C)(C)C2)[NH+]1CCCCC1 ZINC000924539442 618807149 /nfs/dbraw/zinc/80/71/49/618807149.db2.gz DKRCYAURIFNPGB-UHFFFAOYSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC000235697885 618819350 /nfs/dbraw/zinc/81/93/50/618819350.db2.gz LVNKRYAABURFCW-STQMWFEESA-N 2 1 266.816 3.160 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926685390 618820349 /nfs/dbraw/zinc/82/03/49/618820349.db2.gz GOOJMUHMIRMRLM-WZYMTQMTSA-N 2 1 282.472 3.043 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000892668829 618894463 /nfs/dbraw/zinc/89/44/63/618894463.db2.gz REARDEJILLLZMH-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000892947554 618960674 /nfs/dbraw/zinc/96/06/74/618960674.db2.gz JIVLCWXCIZYIDJ-BPIHKTFHSA-N 2 1 286.463 3.449 20 0 CGADMP CCCSC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000893087158 618991751 /nfs/dbraw/zinc/99/17/51/618991751.db2.gz WVACIWOOCMXRQN-AVOUXACISA-N 2 1 270.486 3.123 20 0 CGADMP CCCSC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000893087158 618991754 /nfs/dbraw/zinc/99/17/54/618991754.db2.gz WVACIWOOCMXRQN-AVOUXACISA-N 2 1 270.486 3.123 20 0 CGADMP C[C@H](N)[C@H]([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000925523897 619018213 /nfs/dbraw/zinc/01/82/13/619018213.db2.gz OSFHQGIVZFJSNR-YJBOKZPZSA-N 2 1 284.403 3.134 20 0 CGADMP CN1C[C@]2(C)C[N@@H+](CCC(C)(C)C3CC3)C[C@]2(C)C1 ZINC000931318422 619143875 /nfs/dbraw/zinc/14/38/75/619143875.db2.gz TXAQNKJNSNPAHX-CALCHBBNSA-N 2 1 264.457 3.086 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(C)(C)C3CC3)C[C@]2(C)C1 ZINC000931318422 619143876 /nfs/dbraw/zinc/14/38/76/619143876.db2.gz TXAQNKJNSNPAHX-CALCHBBNSA-N 2 1 264.457 3.086 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CCC(C)(C)C3CC3)C[C@]2(C)C1 ZINC000931318422 619143878 /nfs/dbraw/zinc/14/38/78/619143878.db2.gz TXAQNKJNSNPAHX-CALCHBBNSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CCC(C)(C)C3CC3)C[C@]2(C)C1 ZINC000931318422 619143879 /nfs/dbraw/zinc/14/38/79/619143879.db2.gz TXAQNKJNSNPAHX-CALCHBBNSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(C)(C)C3CC3)C[C@]2(C)C1 ZINC000931318422 619143881 /nfs/dbraw/zinc/14/38/81/619143881.db2.gz TXAQNKJNSNPAHX-CALCHBBNSA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)C(C(C)C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925708746 619156532 /nfs/dbraw/zinc/15/65/32/619156532.db2.gz NIDFAEDZYRZSOL-CQSZACIVSA-N 2 1 252.446 3.155 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925790363 619249212 /nfs/dbraw/zinc/24/92/12/619249212.db2.gz HOGQJQGNRCFORG-AGIUHOORSA-N 2 1 298.377 3.103 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)o1 ZINC000893994134 619345369 /nfs/dbraw/zinc/34/53/69/619345369.db2.gz IOOLDAXKDFAOFD-LBPRGKRZSA-N 2 1 277.393 3.035 20 0 CGADMP CSc1ccc(CN2CCC[C@H](n3ccnc3)C2)o1 ZINC000893994134 619345373 /nfs/dbraw/zinc/34/53/73/619345373.db2.gz IOOLDAXKDFAOFD-LBPRGKRZSA-N 2 1 277.393 3.035 20 0 CGADMP CCc1c[nH]c2nc[nH+]c(NC(C)(C)CCC[NH+](C)C)c12 ZINC000894074416 619367758 /nfs/dbraw/zinc/36/77/58/619367758.db2.gz OXKRYUFLNBDNBF-UHFFFAOYSA-N 2 1 289.427 3.053 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261930339 619484114 /nfs/dbraw/zinc/48/41/14/619484114.db2.gz JMURKNBBXRXSAU-ZBFHGGJFSA-N 2 1 298.430 3.408 20 0 CGADMP FC(F)Sc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262009276 619521197 /nfs/dbraw/zinc/52/11/97/619521197.db2.gz MEPJJZXQBHGZLV-HNNXBMFYSA-N 2 1 298.402 3.187 20 0 CGADMP FC(F)Sc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262009276 619521203 /nfs/dbraw/zinc/52/12/03/619521203.db2.gz MEPJJZXQBHGZLV-HNNXBMFYSA-N 2 1 298.402 3.187 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000262022063 619528580 /nfs/dbraw/zinc/52/85/80/619528580.db2.gz WHAFCPPNAQABMI-NEPJUHHUSA-N 2 1 286.341 3.183 20 0 CGADMP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000894495161 619554862 /nfs/dbraw/zinc/55/48/62/619554862.db2.gz JEQJHIXEGBYZTG-YJBOKZPZSA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000894495161 619554868 /nfs/dbraw/zinc/55/48/68/619554868.db2.gz JEQJHIXEGBYZTG-YJBOKZPZSA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000894495161 619554872 /nfs/dbraw/zinc/55/48/72/619554872.db2.gz JEQJHIXEGBYZTG-YJBOKZPZSA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000894495161 619554877 /nfs/dbraw/zinc/55/48/77/619554877.db2.gz JEQJHIXEGBYZTG-YJBOKZPZSA-N 2 1 289.467 3.052 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2nccc3ccccc32)C1 ZINC000894783878 619635554 /nfs/dbraw/zinc/63/55/54/619635554.db2.gz ZJGZIMKBWSCOJY-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000895137743 619749796 /nfs/dbraw/zinc/74/97/96/619749796.db2.gz QZXXVSMFEDFBJB-UHFFFAOYSA-N 2 1 294.487 3.148 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000895137743 619749799 /nfs/dbraw/zinc/74/97/99/619749799.db2.gz QZXXVSMFEDFBJB-UHFFFAOYSA-N 2 1 294.487 3.148 20 0 CGADMP Cc1cc(F)ccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895314363 619804258 /nfs/dbraw/zinc/80/42/58/619804258.db2.gz UGORHVAGNHDDMP-TZUVLKIQSA-N 2 1 290.426 3.280 20 0 CGADMP CCCSC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479548 619836246 /nfs/dbraw/zinc/83/62/46/619836246.db2.gz PXHATTGWKXZHRG-GDBMZVCRSA-N 2 1 284.513 3.230 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)CC2)cc1 ZINC000897955143 620455370 /nfs/dbraw/zinc/45/53/70/620455370.db2.gz PVPLJVOFMWDPON-DFQSSKMNSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@H]([NH2+]C[Si](C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750745 625429353 /nfs/dbraw/zinc/42/93/53/625429353.db2.gz HBHPPNIJVOGPHJ-KBPBESRZSA-N 2 1 268.521 3.106 20 0 CGADMP Cl/C=C/C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000898429686 620586668 /nfs/dbraw/zinc/58/66/68/620586668.db2.gz XGHGEFFYAOAAPA-BDNXFMHFSA-N 2 1 290.838 3.382 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC000898434961 620587613 /nfs/dbraw/zinc/58/76/13/620587613.db2.gz ZSDXSBKXXQQUON-QMVQRKLUSA-N 2 1 270.848 3.372 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]CC(C)(C)[N@@H+]3CCC[C@@H](C)C3)C2)CO1 ZINC000924750650 620621726 /nfs/dbraw/zinc/62/17/26/620621726.db2.gz HAEAHYJAMRZTPE-RSIVFMTNSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]CC(C)(C)[N@H+]3CCC[C@@H](C)C3)C2)CO1 ZINC000924750650 620621729 /nfs/dbraw/zinc/62/17/29/620621729.db2.gz HAEAHYJAMRZTPE-RSIVFMTNSA-N 2 1 294.483 3.044 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000902124533 621164013 /nfs/dbraw/zinc/16/40/13/621164013.db2.gz HBYZEXUBCBTHRZ-UHFFFAOYSA-N 2 1 287.451 3.143 20 0 CGADMP CCNc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000902198603 621192052 /nfs/dbraw/zinc/19/20/52/621192052.db2.gz FYKRSEBYKCBMLT-MRXNPFEDSA-N 2 1 289.467 3.328 20 0 CGADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415569 621308450 /nfs/dbraw/zinc/30/84/50/621308450.db2.gz ISUSXOUDTAUYLT-BWPKMQGJSA-N 2 1 288.435 3.044 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CC1)c1cc2ccccc2o1 ZINC000902413883 621324003 /nfs/dbraw/zinc/32/40/03/621324003.db2.gz PFFKBLBQSGJCRY-OAHLLOKOSA-N 2 1 258.365 3.211 20 0 CGADMP CC(C)C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CCOCC1 ZINC000902735313 621418144 /nfs/dbraw/zinc/41/81/44/621418144.db2.gz BYOJKKSUARKLDX-KRWDZBQOSA-N 2 1 284.488 3.148 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H](CC(C)C)C1CCOCC1)C(C)C ZINC000902787306 621445641 /nfs/dbraw/zinc/44/56/41/621445641.db2.gz ZLWSGXSNTSCZLK-KRWDZBQOSA-N 2 1 284.488 3.148 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H](CC(C)C)C1CCOCC1)C(C)C ZINC000902787306 621445657 /nfs/dbraw/zinc/44/56/57/621445657.db2.gz ZLWSGXSNTSCZLK-KRWDZBQOSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902790376 621448447 /nfs/dbraw/zinc/44/84/47/621448447.db2.gz PYODGYCDPSPBLN-WBVHZDCISA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902790376 621448456 /nfs/dbraw/zinc/44/84/56/621448456.db2.gz PYODGYCDPSPBLN-WBVHZDCISA-N 2 1 284.488 3.148 20 0 CGADMP CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000903068307 621567166 /nfs/dbraw/zinc/56/71/66/621567166.db2.gz BNRJAPHTICYKER-QZTJIDSGSA-N 2 1 290.451 3.184 20 0 CGADMP CC(C)CSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903127818 621590202 /nfs/dbraw/zinc/59/02/02/621590202.db2.gz LWMNLXHGWSWAGA-VHRNVKJDSA-N 2 1 282.497 3.123 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)[C@@H]2CCC[C@H]21 ZINC000903160587 621605363 /nfs/dbraw/zinc/60/53/63/621605363.db2.gz RBUFTTWCDVTLRQ-HUESISHMSA-N 2 1 294.508 3.123 20 0 CGADMP C(C[C@@H]1CC[C@H]2C[C@H]21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903219495 621632841 /nfs/dbraw/zinc/63/28/41/621632841.db2.gz GZOPGSLCVWVPMQ-LVBYMBFYSA-N 2 1 274.452 3.170 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)c1cccnc1 ZINC000903378541 621720995 /nfs/dbraw/zinc/72/09/95/621720995.db2.gz QPGBAKPOHYAOIF-CYGHRXIMSA-N 2 1 287.451 3.243 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381169 621723072 /nfs/dbraw/zinc/72/30/72/621723072.db2.gz SKIKHDFDQFPWRQ-GOEBONIOSA-N 2 1 277.456 3.489 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431282 621743988 /nfs/dbraw/zinc/74/39/88/621743988.db2.gz QSLPSLAEIUOGSF-MBNYWOFBSA-N 2 1 264.438 3.185 20 0 CGADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903437641 621746418 /nfs/dbraw/zinc/74/64/18/621746418.db2.gz KYBKHXMAHVHTGM-WBVHZDCISA-N 2 1 278.415 3.208 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000903437096 621746453 /nfs/dbraw/zinc/74/64/53/621746453.db2.gz DMCDHUHNJDFUJN-DUVNUKRYSA-N 2 1 278.827 3.257 20 0 CGADMP CC(C)Cc1ccccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000903422315 621750938 /nfs/dbraw/zinc/75/09/38/621750938.db2.gz XYOOVRMMWSQPBF-UHFFFAOYSA-N 2 1 260.425 3.069 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000903458468 621751154 /nfs/dbraw/zinc/75/11/54/621751154.db2.gz ANLNZGKCXLBBGC-ZFWWWQNUSA-N 2 1 278.465 3.215 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000903464264 621753733 /nfs/dbraw/zinc/75/37/33/621753733.db2.gz FNGARLMHORWPKH-NWANDNLSSA-N 2 1 294.389 3.272 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447610 621759705 /nfs/dbraw/zinc/75/97/05/621759705.db2.gz ZMXYOFQOCLFGER-UHFFFAOYSA-N 2 1 290.476 3.374 20 0 CGADMP CC[C@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@H]1[NH3+] ZINC000903450301 621760323 /nfs/dbraw/zinc/76/03/23/621760323.db2.gz SWJQYMLEMXUXHQ-LCGIIJARSA-N 2 1 294.389 3.095 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCC(C)(F)F)C1 ZINC000903476099 621763563 /nfs/dbraw/zinc/76/35/63/621763563.db2.gz NMAYAVDGNQQWDU-CQSZACIVSA-N 2 1 262.388 3.119 20 0 CGADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCC(C)(C)CC1 ZINC000903733439 621800260 /nfs/dbraw/zinc/80/02/60/621800260.db2.gz KHRBJOSERWOJTA-INIZCTEOSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735209 621800301 /nfs/dbraw/zinc/80/03/01/621800301.db2.gz YMBGUOGQMUIXSW-DLBZAZTESA-N 2 1 294.483 3.047 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H]2CCCC[NH2+]C2)s1 ZINC000903739434 621800898 /nfs/dbraw/zinc/80/08/98/621800898.db2.gz JPIOZDYKCDZERG-UONOGXRCSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)s1 ZINC000903739434 621800900 /nfs/dbraw/zinc/80/09/00/621800900.db2.gz JPIOZDYKCDZERG-UONOGXRCSA-N 2 1 295.496 3.396 20 0 CGADMP Clc1ccccc1C1([NH2+]C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903762989 621802904 /nfs/dbraw/zinc/80/29/04/621802904.db2.gz GLXJQLOIGPMCGL-CYBMUJFWSA-N 2 1 278.827 3.308 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903778920 621806300 /nfs/dbraw/zinc/80/63/00/621806300.db2.gz SZWDBQSYGDMASV-QGZVFWFLSA-N 2 1 278.415 3.353 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccncc2Cl)CCC1 ZINC000903811850 621814227 /nfs/dbraw/zinc/81/42/27/621814227.db2.gz ORQHXXXZKVZFDE-HNNXBMFYSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccncc2Cl)CCC1 ZINC000903811850 621814229 /nfs/dbraw/zinc/81/42/29/621814229.db2.gz ORQHXXXZKVZFDE-HNNXBMFYSA-N 2 1 293.842 3.219 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903890025 621823438 /nfs/dbraw/zinc/82/34/38/621823438.db2.gz YEUNEOWCCXPWJY-XFYFCPPXSA-N 2 1 284.447 3.315 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879105 621825385 /nfs/dbraw/zinc/82/53/85/621825385.db2.gz SICXTPMWZPLNOM-XVLXNVKGSA-N 2 1 284.447 3.224 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903876970 621825436 /nfs/dbraw/zinc/82/54/36/621825436.db2.gz JIOYVRMWQXJQPL-AWEZNQCLSA-N 2 1 270.367 3.190 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903876970 621825437 /nfs/dbraw/zinc/82/54/37/621825437.db2.gz JIOYVRMWQXJQPL-AWEZNQCLSA-N 2 1 270.367 3.190 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)C[C@@H]([NH3+])CC(F)F ZINC000903883042 621825840 /nfs/dbraw/zinc/82/58/40/621825840.db2.gz DSMATBVXEUUSPG-AWEZNQCLSA-N 2 1 278.346 3.254 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)C[C@@H]([NH3+])CC(F)F ZINC000903883042 621825842 /nfs/dbraw/zinc/82/58/42/621825842.db2.gz DSMATBVXEUUSPG-AWEZNQCLSA-N 2 1 278.346 3.254 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903896206 621828199 /nfs/dbraw/zinc/82/81/99/621828199.db2.gz UBLFJTDGJRNOFE-JHCBJLJESA-N 2 1 284.447 3.395 20 0 CGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCC[C@@H]21 ZINC000903902223 621830521 /nfs/dbraw/zinc/83/05/21/621830521.db2.gz FCGZECLJYDWVAF-FUIIOZAVSA-N 2 1 262.441 3.028 20 0 CGADMP [NH3+][C@H](C[NH2+]C1(c2cccc(Cl)c2)CCC1)CC(F)F ZINC000903931652 621834503 /nfs/dbraw/zinc/83/45/03/621834503.db2.gz HHCDXAMPFXDHQK-LBPRGKRZSA-N 2 1 288.769 3.291 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973093 621843756 /nfs/dbraw/zinc/84/37/56/621843756.db2.gz OEMSLLNWGAFSCH-GVDBMIGSSA-N 2 1 296.499 3.196 20 0 CGADMP C[N@H+](Cc1ccc(C(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904299573 621901196 /nfs/dbraw/zinc/90/11/96/621901196.db2.gz ILRMVOPZCPZBAC-FUNVUKJBSA-N 2 1 298.352 3.478 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904299573 621901199 /nfs/dbraw/zinc/90/11/99/621901199.db2.gz ILRMVOPZCPZBAC-FUNVUKJBSA-N 2 1 298.352 3.478 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904301243 621901721 /nfs/dbraw/zinc/90/17/21/621901721.db2.gz JFFNYWOSEATOJW-ROUUACIJSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308172 621902754 /nfs/dbraw/zinc/90/27/54/621902754.db2.gz LEFCEIKDUMSFDX-AOOOYVTPSA-N 2 1 273.207 3.163 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000904309364 621903398 /nfs/dbraw/zinc/90/33/98/621903398.db2.gz IQLOUPNMNGBNNL-MOXGXCLJSA-N 2 1 292.426 3.371 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC000904349921 621911312 /nfs/dbraw/zinc/91/13/12/621911312.db2.gz DAABLSDIWYZCDP-YCCMVBODSA-N 2 1 270.420 3.134 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904376262 621916534 /nfs/dbraw/zinc/91/65/34/621916534.db2.gz NOETVMAGXSADJY-MWLCHTKSSA-N 2 1 272.314 3.075 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904376262 621916537 /nfs/dbraw/zinc/91/65/37/621916537.db2.gz NOETVMAGXSADJY-MWLCHTKSSA-N 2 1 272.314 3.075 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC[C@@H]1C[NH3+] ZINC000904410651 621919050 /nfs/dbraw/zinc/91/90/50/621919050.db2.gz QNOACNUIPDRSDR-NXEZZACHSA-N 2 1 292.370 3.184 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904410581 621919263 /nfs/dbraw/zinc/91/92/63/621919263.db2.gz PACSWZQOTWGKIX-INIZCTEOSA-N 2 1 276.424 3.036 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411173 621919379 /nfs/dbraw/zinc/91/93/79/621919379.db2.gz JHOZXZBODRLUOG-GDBMZVCRSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000904411685 621919386 /nfs/dbraw/zinc/91/93/86/621919386.db2.gz WBXJYXJPPKZJLW-INMHGKMJSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CC[C@@H]1C[NH3+] ZINC000904410482 621919522 /nfs/dbraw/zinc/91/95/22/621919522.db2.gz FXXOVPYCMUMYLO-GXTWGEPZSA-N 2 1 293.480 3.217 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904411720 621919579 /nfs/dbraw/zinc/91/95/79/621919579.db2.gz WYHHJQWSIJPTJC-ZFWWWQNUSA-N 2 1 278.465 3.215 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906589481 622251366 /nfs/dbraw/zinc/25/13/66/622251366.db2.gz CIIUYFZKULLRKO-BMGDILEWSA-N 2 1 290.426 3.345 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906589481 622251372 /nfs/dbraw/zinc/25/13/72/622251372.db2.gz CIIUYFZKULLRKO-BMGDILEWSA-N 2 1 290.426 3.345 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000044533328 622793847 /nfs/dbraw/zinc/79/38/47/622793847.db2.gz HSQOVNCAWVCPBC-YYIAUSFCSA-N 2 1 264.457 3.277 20 0 CGADMP CCOc1cccc([C@H](C)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000156567741 622826393 /nfs/dbraw/zinc/82/63/93/622826393.db2.gz DHRHYPQOZKKRKF-GOEBONIOSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000168629010 623009367 /nfs/dbraw/zinc/00/93/67/623009367.db2.gz GYAOZZIJCRZYKQ-WCQYABFASA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000168629010 623009373 /nfs/dbraw/zinc/00/93/73/623009373.db2.gz GYAOZZIJCRZYKQ-WCQYABFASA-N 2 1 289.810 3.057 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[NH+](C)C ZINC000921522284 625630945 /nfs/dbraw/zinc/63/09/45/625630945.db2.gz PMNZGGDYEDJASM-TVFCKZIOSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)(C)[NH2+]CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000230976245 623289694 /nfs/dbraw/zinc/28/96/94/623289694.db2.gz KYWYUJIISNILDC-UHFFFAOYSA-N 2 1 262.441 3.376 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000754142469 623816183 /nfs/dbraw/zinc/81/61/83/623816183.db2.gz GHNYNFSCJXFLAI-CABCVRRESA-N 2 1 287.451 3.285 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000925480683 624509338 /nfs/dbraw/zinc/50/93/38/624509338.db2.gz GXGYYPGRAAWKRG-LYBROENRSA-N 2 1 282.431 3.032 20 0 CGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000070171146 624974335 /nfs/dbraw/zinc/97/43/35/624974335.db2.gz NOKHHKZFQAVQOS-GFCCVEGCSA-N 2 1 281.469 3.001 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000189296682 625111496 /nfs/dbraw/zinc/11/14/96/625111496.db2.gz ZBAISVIBSGXWAU-UHFFFAOYSA-N 2 1 293.430 3.165 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000921685440 625832700 /nfs/dbraw/zinc/83/27/00/625832700.db2.gz HZSCHXHSCCNFNM-BPLDGKMQSA-N 2 1 281.469 3.091 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000921774898 625871570 /nfs/dbraw/zinc/87/15/70/625871570.db2.gz OHXOHBSDNLBKTI-CQSZACIVSA-N 2 1 299.418 3.085 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922667235 626028581 /nfs/dbraw/zinc/02/85/81/626028581.db2.gz JQBNIYMRXLWMKF-KBMXLJTQSA-N 2 1 276.399 3.412 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923307958 626144190 /nfs/dbraw/zinc/14/41/90/626144190.db2.gz ZZAFNUHQJZQVQC-AWEZNQCLSA-N 2 1 264.438 3.199 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923307958 626144192 /nfs/dbraw/zinc/14/41/92/626144192.db2.gz ZZAFNUHQJZQVQC-AWEZNQCLSA-N 2 1 264.438 3.199 20 0 CGADMP Fc1cccc([C@@H]2CC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923316005 626144756 /nfs/dbraw/zinc/14/47/56/626144756.db2.gz CBKKAKRUPKITEP-ZKVVCRCRSA-N 2 1 288.410 3.493 20 0 CGADMP c1cc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)cs1 ZINC000923303957 626144770 /nfs/dbraw/zinc/14/47/70/626144770.db2.gz NRFAYZDLZBADDC-CQSZACIVSA-N 2 1 250.411 3.027 20 0 CGADMP c1cc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cs1 ZINC000923303957 626144774 /nfs/dbraw/zinc/14/47/74/626144774.db2.gz NRFAYZDLZBADDC-CQSZACIVSA-N 2 1 250.411 3.027 20 0 CGADMP C[N@H+](CCc1ccccc1F)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923309302 626145392 /nfs/dbraw/zinc/14/53/92/626145392.db2.gz JPPMCBYXPLVTLA-ZXFUBFMLSA-N 2 1 290.426 3.221 20 0 CGADMP CC[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@H]1[NH3+] ZINC000923344978 626148794 /nfs/dbraw/zinc/14/87/94/626148794.db2.gz LPPPYUJKNNQLNJ-LSDHHAIUSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2coc(C(C)(C)C)n2)[C@@H]1CCC[NH3+] ZINC000923387849 626150239 /nfs/dbraw/zinc/15/02/39/626150239.db2.gz GICGRZOAXFUDIR-UKRRQHHQSA-N 2 1 293.455 3.312 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923414317 626151551 /nfs/dbraw/zinc/15/15/51/626151551.db2.gz LGMKBHCQZWMJNJ-KRWDZBQOSA-N 2 1 278.415 3.065 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@@H](CC[NH3+])C2)cc1C ZINC000923485314 626157583 /nfs/dbraw/zinc/15/75/83/626157583.db2.gz HNXLEIGUSNFMJB-OAHLLOKOSA-N 2 1 278.465 3.066 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1C[NH3+] ZINC000923495916 626157926 /nfs/dbraw/zinc/15/79/26/626157926.db2.gz GDNRSPVILHSDPF-HOCLYGCPSA-N 2 1 268.404 3.257 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923524929 626161141 /nfs/dbraw/zinc/16/11/41/626161141.db2.gz AXLMZYQZVFADFZ-RDJZCZTQSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)SC)[C@@H](C)C1 ZINC000766276634 627311470 /nfs/dbraw/zinc/31/14/70/627311470.db2.gz IIWNWEBHYUQHNP-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768684651 627493042 /nfs/dbraw/zinc/49/30/42/627493042.db2.gz ATKGFOGRDLKDFV-PNESKVBLSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768684651 627493045 /nfs/dbraw/zinc/49/30/45/627493045.db2.gz ATKGFOGRDLKDFV-PNESKVBLSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630314 628115742 /nfs/dbraw/zinc/11/57/42/628115742.db2.gz YPMNYCUHTPBMAI-ZIAGYGMSSA-N 2 1 271.408 3.160 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccn1 ZINC000781902679 628604259 /nfs/dbraw/zinc/60/42/59/628604259.db2.gz IIXSRQDJKSWWBF-KRWDZBQOSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)c1 ZINC000788479261 629057639 /nfs/dbraw/zinc/05/76/39/629057639.db2.gz PBXZTHQWVFIHFU-GOSISDBHSA-N 2 1 272.436 3.474 20 0 CGADMP CCCCC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796259249 629758051 /nfs/dbraw/zinc/75/80/51/629758051.db2.gz SJLOBNSAASBQCH-LBPRGKRZSA-N 2 1 269.458 3.263 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865417045 630113851 /nfs/dbraw/zinc/11/38/51/630113851.db2.gz WCVLIVUCCPEQBY-LSDHHAIUSA-N 2 1 278.827 3.365 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000801925691 630367716 /nfs/dbraw/zinc/36/77/16/630367716.db2.gz QEWWYPABXCJSKS-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)CC(C)(C)C ZINC000878645656 635587424 /nfs/dbraw/zinc/58/74/24/635587424.db2.gz ONORILKWTRVKJR-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)CC(C)(C)C ZINC000878645656 635587434 /nfs/dbraw/zinc/58/74/34/635587434.db2.gz ONORILKWTRVKJR-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC000878645656 635587447 /nfs/dbraw/zinc/58/74/47/635587447.db2.gz ONORILKWTRVKJR-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCc4ccccc43)C2)C1 ZINC000815145148 631729594 /nfs/dbraw/zinc/72/95/94/631729594.db2.gz OJSOIOOSWZDSFF-IEBWSBKVSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCc4ccccc43)C2)C1 ZINC000815145148 631729597 /nfs/dbraw/zinc/72/95/97/631729597.db2.gz OJSOIOOSWZDSFF-IEBWSBKVSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCc4ccccc43)C2)C1 ZINC000815145148 631729602 /nfs/dbraw/zinc/72/96/02/631729602.db2.gz OJSOIOOSWZDSFF-IEBWSBKVSA-N 2 1 284.447 3.134 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCc4ccccc43)C2)C1 ZINC000815145146 631730135 /nfs/dbraw/zinc/73/01/35/631730135.db2.gz OJSOIOOSWZDSFF-HKUYNNGSSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCc4ccccc43)C2)C1 ZINC000815145146 631730143 /nfs/dbraw/zinc/73/01/43/631730143.db2.gz OJSOIOOSWZDSFF-HKUYNNGSSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCc4ccccc43)C2)C1 ZINC000815145146 631730149 /nfs/dbraw/zinc/73/01/49/631730149.db2.gz OJSOIOOSWZDSFF-HKUYNNGSSA-N 2 1 284.447 3.134 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000815559197 631795371 /nfs/dbraw/zinc/79/53/71/631795371.db2.gz ZXXPBXSVNZSMJJ-UONOGXRCSA-N 2 1 276.399 3.269 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000815560533 631795529 /nfs/dbraw/zinc/79/55/29/631795529.db2.gz JQBNIYMRXLWMKF-IMJJTQAJSA-N 2 1 276.399 3.412 20 0 CGADMP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)[C@H]1CCCCN1 ZINC000817914124 632235160 /nfs/dbraw/zinc/23/51/60/632235160.db2.gz QYNJCMFNWIEVIZ-ZWKOTPCHSA-N 2 1 295.515 3.153 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1Cl ZINC000817958644 632252957 /nfs/dbraw/zinc/25/29/57/632252957.db2.gz KZTHBZMKUITESX-RISCZKNCSA-N 2 1 284.831 3.291 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1Cl ZINC000817965657 632260064 /nfs/dbraw/zinc/26/00/64/632260064.db2.gz SXDGRLPXHPSEKM-HZMBPMFUSA-N 2 1 282.815 3.045 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817977867 632268983 /nfs/dbraw/zinc/26/89/83/632268983.db2.gz QWCRGTBUEJCPGS-BBBLOLIVSA-N 2 1 274.380 3.388 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000817980883 632271201 /nfs/dbraw/zinc/27/12/01/632271201.db2.gz FLXGVFUUKRHMQG-YPMHNXCESA-N 2 1 258.475 3.014 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)nc1 ZINC000817984845 632274831 /nfs/dbraw/zinc/27/48/31/632274831.db2.gz ATCGWJAIPFIJPO-YPMHNXCESA-N 2 1 279.815 3.060 20 0 CGADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cnc1Cl ZINC000818431370 632318476 /nfs/dbraw/zinc/31/84/76/632318476.db2.gz JYISLPYKMHRXPQ-CYBMUJFWSA-N 2 1 293.842 3.007 20 0 CGADMP Cc1cnc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000820812119 632680737 /nfs/dbraw/zinc/68/07/37/632680737.db2.gz DEKHBNWEWGGEFU-CYBMUJFWSA-N 2 1 289.448 3.364 20 0 CGADMP CC1(C)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820812370 632680855 /nfs/dbraw/zinc/68/08/55/632680855.db2.gz JGYRSYZZGNXNHC-YPAMNDHTSA-N 2 1 262.441 3.313 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCSCCC(F)(F)F)CC1(C)C ZINC000865786583 632890565 /nfs/dbraw/zinc/89/05/65/632890565.db2.gz GIVQZNMJFOTUDL-NSHDSACASA-N 2 1 298.418 3.134 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000865804613 632895413 /nfs/dbraw/zinc/89/54/13/632895413.db2.gz CHZSUSPTDMWGJX-BPQIPLTHSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000865804613 632895417 /nfs/dbraw/zinc/89/54/17/632895417.db2.gz CHZSUSPTDMWGJX-BPQIPLTHSA-N 2 1 294.483 3.331 20 0 CGADMP C[N@H+]1CCCC12CCN(CC[C@H]1CC1(Cl)Cl)CC2 ZINC000822808601 633024058 /nfs/dbraw/zinc/02/40/58/633024058.db2.gz WITHGVGTAMEPHO-LBPRGKRZSA-N 2 1 291.266 3.131 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CC[C@H]1CC1(Cl)Cl)CC2 ZINC000822808601 633024063 /nfs/dbraw/zinc/02/40/63/633024063.db2.gz WITHGVGTAMEPHO-LBPRGKRZSA-N 2 1 291.266 3.131 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CC[C@H]1CC1(Cl)Cl)CC2 ZINC000822808601 633024066 /nfs/dbraw/zinc/02/40/66/633024066.db2.gz WITHGVGTAMEPHO-LBPRGKRZSA-N 2 1 291.266 3.131 20 0 CGADMP Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c2cc(F)ccc2[nH+]1 ZINC000866204205 633028660 /nfs/dbraw/zinc/02/86/60/633028660.db2.gz BCQVCVAQPNHTIU-DYVFJYSZSA-N 2 1 299.393 3.213 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000866261861 633049757 /nfs/dbraw/zinc/04/97/57/633049757.db2.gz XTAWEBOAVGNAFB-WMZOPIPTSA-N 2 1 289.467 3.489 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccn1 ZINC000866261861 633049763 /nfs/dbraw/zinc/04/97/63/633049763.db2.gz XTAWEBOAVGNAFB-WMZOPIPTSA-N 2 1 289.467 3.489 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000866316123 633079840 /nfs/dbraw/zinc/07/98/40/633079840.db2.gz WVNYZKFLCKKAEK-KRWDZBQOSA-N 2 1 274.383 3.055 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000823850452 633158514 /nfs/dbraw/zinc/15/85/14/633158514.db2.gz DIMNLCJDPXMUNX-ATLSCFEFSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](C[C@@]1(C)CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000829720148 633769534 /nfs/dbraw/zinc/76/95/34/633769534.db2.gz OXJXVNLHABHBQY-ZGVCCVRISA-N 2 1 291.266 3.127 20 0 CGADMP C[NH+](C[C@@]1(C)CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000829720148 633769540 /nfs/dbraw/zinc/76/95/40/633769540.db2.gz OXJXVNLHABHBQY-ZGVCCVRISA-N 2 1 291.266 3.127 20 0 CGADMP C[NH+](C[C@@]1(C)CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000829720148 633769545 /nfs/dbraw/zinc/76/95/45/633769545.db2.gz OXJXVNLHABHBQY-ZGVCCVRISA-N 2 1 291.266 3.127 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000872022102 633942482 /nfs/dbraw/zinc/94/24/82/633942482.db2.gz TWJKEPNHDQCKIN-NWDGAFQWSA-N 2 1 278.362 3.181 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872033049 633951696 /nfs/dbraw/zinc/95/16/96/633951696.db2.gz BFPFVINLNSILHA-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872033049 633951697 /nfs/dbraw/zinc/95/16/97/633951697.db2.gz BFPFVINLNSILHA-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)CC ZINC000872036369 633955760 /nfs/dbraw/zinc/95/57/60/633955760.db2.gz UPCBVYKFQZYKPT-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872074304 633996655 /nfs/dbraw/zinc/99/66/55/633996655.db2.gz ZVPQVOADSDKSNR-HRCADAONSA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872074304 633996659 /nfs/dbraw/zinc/99/66/59/633996659.db2.gz ZVPQVOADSDKSNR-HRCADAONSA-N 2 1 284.488 3.290 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000846217563 636161131 /nfs/dbraw/zinc/16/11/31/636161131.db2.gz DHVPOONVDVOYNJ-MRXNPFEDSA-N 2 1 278.465 3.296 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1C(F)(F)F ZINC000872150254 634065806 /nfs/dbraw/zinc/06/58/06/634065806.db2.gz UZKDEPHHEOAEKP-HUUCEWRRSA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1C(F)(F)F ZINC000872150254 634065814 /nfs/dbraw/zinc/06/58/14/634065814.db2.gz UZKDEPHHEOAEKP-HUUCEWRRSA-N 2 1 298.352 3.133 20 0 CGADMP COCCCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156104 634066740 /nfs/dbraw/zinc/06/67/40/634066740.db2.gz DVWSOAYUAFMZOA-RDJZCZTQSA-N 2 1 282.472 3.033 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2ccccn2)C1)C1CCCC1 ZINC000872157526 634068083 /nfs/dbraw/zinc/06/80/83/634068083.db2.gz PHCYPXXUWVWCFF-CRAIPNDOSA-N 2 1 287.451 3.201 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000873224059 634290567 /nfs/dbraw/zinc/29/05/67/634290567.db2.gz XAZMFSXZVGBKFU-INIZCTEOSA-N 2 1 293.480 3.217 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1C(F)(F)F ZINC000873228756 634291590 /nfs/dbraw/zinc/29/15/90/634291590.db2.gz VCLSKWJCVONXNX-ZWNOBZJWSA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1C(F)(F)F ZINC000873228756 634291604 /nfs/dbraw/zinc/29/16/04/634291604.db2.gz VCLSKWJCVONXNX-ZWNOBZJWSA-N 2 1 298.308 3.002 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1)CCCCCC[NH3+] ZINC000873231452 634292495 /nfs/dbraw/zinc/29/24/95/634292495.db2.gz JQVPJBAIUPNKGY-VOTSOKGWSA-N 2 1 264.388 3.290 20 0 CGADMP COc1cccc2cc(C[N@@H+](C)CCCCCC[NH3+])oc21 ZINC000873231537 634294613 /nfs/dbraw/zinc/29/46/13/634294613.db2.gz MDASCGLQSQLWBL-UHFFFAOYSA-N 2 1 290.407 3.392 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000840809577 635055324 /nfs/dbraw/zinc/05/53/24/635055324.db2.gz TXCNDYZDPIKCJW-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2CCSCC2)cc1 ZINC000877524965 635071536 /nfs/dbraw/zinc/07/15/36/635071536.db2.gz MGFGDOTXXNWQQZ-UHFFFAOYSA-N 2 1 292.492 3.323 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841078076 635118595 /nfs/dbraw/zinc/11/85/95/635118595.db2.gz FKSQHUHYAKTGFT-BDAKNGLRSA-N 2 1 278.343 3.124 20 0 CGADMP CC(C)c1ncc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000841089864 635120724 /nfs/dbraw/zinc/12/07/24/635120724.db2.gz QOORWKPYLYVPBI-LBPRGKRZSA-N 2 1 279.453 3.031 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000877742055 635177360 /nfs/dbraw/zinc/17/73/60/635177360.db2.gz OFRFWCOZRCGGRD-FRFSOERESA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000877742055 635177363 /nfs/dbraw/zinc/17/73/63/635177363.db2.gz OFRFWCOZRCGGRD-FRFSOERESA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC000877742055 635177365 /nfs/dbraw/zinc/17/73/65/635177365.db2.gz OFRFWCOZRCGGRD-FRFSOERESA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC000877742055 635177368 /nfs/dbraw/zinc/17/73/68/635177368.db2.gz OFRFWCOZRCGGRD-FRFSOERESA-N 2 1 292.854 3.470 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741100 635177846 /nfs/dbraw/zinc/17/78/46/635177846.db2.gz UYPUKTFKFXFNPE-NXHRZFHOSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877741100 635177851 /nfs/dbraw/zinc/17/78/51/635177851.db2.gz UYPUKTFKFXFNPE-NXHRZFHOSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877741100 635177873 /nfs/dbraw/zinc/17/78/73/635177873.db2.gz UYPUKTFKFXFNPE-NXHRZFHOSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cn1 ZINC000877767930 635194200 /nfs/dbraw/zinc/19/42/00/635194200.db2.gz ZPJCMJSASJOKBU-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000842471541 635376478 /nfs/dbraw/zinc/37/64/78/635376478.db2.gz HZKFWHQIDJNVNF-KRWDZBQOSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000842471541 635376482 /nfs/dbraw/zinc/37/64/82/635376482.db2.gz HZKFWHQIDJNVNF-KRWDZBQOSA-N 2 1 294.414 3.108 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC[C@@H]3CCCC3(F)F)CC[C@H]21 ZINC000878197297 635408003 /nfs/dbraw/zinc/40/80/03/635408003.db2.gz NDADHTRYRLKXNP-QLFBSQMISA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)CC[C@H]21 ZINC000878197297 635408006 /nfs/dbraw/zinc/40/80/06/635408006.db2.gz NDADHTRYRLKXNP-QLFBSQMISA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)CC[C@H]21 ZINC000878197297 635408008 /nfs/dbraw/zinc/40/80/08/635408008.db2.gz NDADHTRYRLKXNP-QLFBSQMISA-N 2 1 286.410 3.228 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C2CC2)cc1 ZINC000843053699 635551186 /nfs/dbraw/zinc/55/11/86/635551186.db2.gz RGLOTHDSEFTMDB-AYHJJNSGSA-N 2 1 270.420 3.408 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccc2c(c1)COC2)CC1CCCC1 ZINC000843124054 635561171 /nfs/dbraw/zinc/56/11/71/635561171.db2.gz USLBQADKGIOVQE-UHFFFAOYSA-N 2 1 288.435 3.058 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608168 635568162 /nfs/dbraw/zinc/56/81/62/635568162.db2.gz JJSNOVUNPSOGBE-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](CC[C@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608168 635568164 /nfs/dbraw/zinc/56/81/64/635568164.db2.gz JJSNOVUNPSOGBE-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](CC[C@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608168 635568168 /nfs/dbraw/zinc/56/81/68/635568168.db2.gz JJSNOVUNPSOGBE-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(C)(C)C ZINC000878661515 635595514 /nfs/dbraw/zinc/59/55/14/635595514.db2.gz DIFPEPSWPOTBBE-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C(C)(C)C ZINC000878661515 635595519 /nfs/dbraw/zinc/59/55/19/635595519.db2.gz DIFPEPSWPOTBBE-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C(C)(C)C ZINC000878661515 635595523 /nfs/dbraw/zinc/59/55/23/635595523.db2.gz DIFPEPSWPOTBBE-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259393 635959380 /nfs/dbraw/zinc/95/93/80/635959380.db2.gz RSOZHYJAQPYTBS-ZIAGYGMSSA-N 2 1 297.393 3.274 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000845938586 636120394 /nfs/dbraw/zinc/12/03/94/636120394.db2.gz WBZNXOSUIASPGH-KZNAEPCWSA-N 2 1 294.483 3.188 20 0 CGADMP [NH3+]CCCCCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000846218756 636162485 /nfs/dbraw/zinc/16/24/85/636162485.db2.gz UMMKASCYFORRLO-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCc2ccc(F)cc21 ZINC000846229845 636164197 /nfs/dbraw/zinc/16/41/97/636164197.db2.gz YTGINAMHOSQKML-AWEZNQCLSA-N 2 1 278.415 3.306 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC2(CC2)C1)C1CC1 ZINC000883227909 636599152 /nfs/dbraw/zinc/59/91/52/636599152.db2.gz ARHPIMRCFINNJO-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883246721 636614660 /nfs/dbraw/zinc/61/46/60/636614660.db2.gz PEYDLCLTCBPUTM-SCTDSRPQSA-N 2 1 284.447 3.453 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)CC1(C)C ZINC000883264966 636634944 /nfs/dbraw/zinc/63/49/44/636634944.db2.gz OOIGEDFQRQTKKC-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C(C)(C)O1 ZINC000883430472 636753087 /nfs/dbraw/zinc/75/30/87/636753087.db2.gz VUEBFZPTPFJHGG-BZUAXINKSA-N 2 1 294.483 3.044 20 0 CGADMP Fc1cccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000885924444 637314349 /nfs/dbraw/zinc/31/43/49/637314349.db2.gz QQRXYYKEDFQLAZ-UDGBAXKXSA-N 2 1 274.383 3.055 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000885981819 637341782 /nfs/dbraw/zinc/34/17/82/637341782.db2.gz OIGGBOJSMKBWOT-BBWFWOEESA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000885981819 637341786 /nfs/dbraw/zinc/34/17/86/637341786.db2.gz OIGGBOJSMKBWOT-BBWFWOEESA-N 2 1 282.472 3.188 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886121011 637423840 /nfs/dbraw/zinc/42/38/40/637423840.db2.gz SKXUNJWJOLTPAI-XHSDSOJGSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886121011 637423845 /nfs/dbraw/zinc/42/38/45/637423845.db2.gz SKXUNJWJOLTPAI-XHSDSOJGSA-N 2 1 270.461 3.044 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000219625367 637536413 /nfs/dbraw/zinc/53/64/13/637536413.db2.gz IJJKSTDQHREEQW-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000219625367 637536417 /nfs/dbraw/zinc/53/64/17/637536417.db2.gz IJJKSTDQHREEQW-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](CCOCC2CCCC2)CC1 ZINC000886718067 637671633 /nfs/dbraw/zinc/67/16/33/637671633.db2.gz PXPBXPMXVXZBQU-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP COc1cccc([C@@]2(C)CC[N@@H+](CCCCCC[NH3+])C2)c1 ZINC000852758845 637707905 /nfs/dbraw/zinc/70/79/05/637707905.db2.gz FSENNZWRKVDRIH-SFHVURJKSA-N 2 1 290.451 3.178 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)[C@@H]1CCC[NH3+] ZINC000886841628 637713849 /nfs/dbraw/zinc/71/38/49/637713849.db2.gz RBBQRKFJMPDPKJ-IXDOHACOSA-N 2 1 294.483 3.175 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873915 637715771 /nfs/dbraw/zinc/71/57/71/637715771.db2.gz BERFJACXAGBVSE-UKRRQHHQSA-N 2 1 274.399 3.133 20 0 CGADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886858223 637715973 /nfs/dbraw/zinc/71/59/73/637715973.db2.gz RQTFZFBIBMYEHX-STQMWFEESA-N 2 1 278.362 3.170 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242038 637792232 /nfs/dbraw/zinc/79/22/32/637792232.db2.gz ZNKVUCLDYBBYKP-ULQDDVLXSA-N 2 1 264.457 3.133 20 0 CGADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)SC ZINC000300409108 637837360 /nfs/dbraw/zinc/83/73/60/637837360.db2.gz ZKXWDIYJIDYGMM-KBPBESRZSA-N 2 1 270.486 3.125 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2[nH+]ccc3c(N)cccc32)C1 ZINC000853412159 637839058 /nfs/dbraw/zinc/83/90/58/637839058.db2.gz WZSMQYCNKHVOPV-QWHCGFSZSA-N 2 1 284.407 3.102 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000924526957 638349825 /nfs/dbraw/zinc/34/98/25/638349825.db2.gz IRJRZCOMMMVPNQ-HNNXBMFYSA-N 2 1 292.471 3.066 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000924575185 638366294 /nfs/dbraw/zinc/36/62/94/638366294.db2.gz IYZKKWPORLLAQX-CJNGLKHVSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1(Cl)CC1 ZINC000924603838 638372655 /nfs/dbraw/zinc/37/26/55/638372655.db2.gz WWRAZNBEYNFVFW-CQSZACIVSA-N 2 1 292.854 3.184 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1(Cl)CC1 ZINC000924603838 638372663 /nfs/dbraw/zinc/37/26/63/638372663.db2.gz WWRAZNBEYNFVFW-CQSZACIVSA-N 2 1 292.854 3.184 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924683195 638388095 /nfs/dbraw/zinc/38/80/95/638388095.db2.gz FVIVRQURKSFQES-XWTMOSNGSA-N 2 1 296.499 3.005 20 0 CGADMP C[N@H+](CC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C1CCCCC1 ZINC000924803510 638407429 /nfs/dbraw/zinc/40/74/29/638407429.db2.gz SILPVSWGBYLSAD-WMZOPIPTSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C1CCCCC1 ZINC000924803510 638407433 /nfs/dbraw/zinc/40/74/33/638407433.db2.gz SILPVSWGBYLSAD-WMZOPIPTSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000924958748 638430652 /nfs/dbraw/zinc/43/06/52/638430652.db2.gz HHTWKGKQULAEBI-SQNIBIBYSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(Sc3ccccc3)C2)CC[N@@H+]1C ZINC000925141130 638459406 /nfs/dbraw/zinc/45/94/06/638459406.db2.gz LCRZJCHLISGOSE-JFBXJRRNSA-N 2 1 290.476 3.382 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(Sc3ccccc3)C2)CC[N@H+]1C ZINC000925141130 638459413 /nfs/dbraw/zinc/45/94/13/638459413.db2.gz LCRZJCHLISGOSE-JFBXJRRNSA-N 2 1 290.476 3.382 20 0 CGADMP CC1(C)C[C@@H]([NH2+]Cc2nc(C3CC3)cs2)C[C@@H]([NH3+])C1 ZINC000925583436 638537482 /nfs/dbraw/zinc/53/74/82/638537482.db2.gz LCQGQSHVLWJILV-NEPJUHHUSA-N 2 1 279.453 3.016 20 0 CGADMP Cc1ccsc1CCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925629561 638548882 /nfs/dbraw/zinc/54/88/82/638548882.db2.gz KAADVIDSLJHRAD-CJNGLKHVSA-N 2 1 274.433 3.277 20 0 CGADMP Cc1ccsc1CC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925629561 638548889 /nfs/dbraw/zinc/54/88/89/638548889.db2.gz KAADVIDSLJHRAD-CJNGLKHVSA-N 2 1 274.433 3.277 20 0 CGADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925772011 638606767 /nfs/dbraw/zinc/60/67/67/638606767.db2.gz FZEMNUWKTPYQSB-PBXIWYFESA-N 2 1 284.447 3.361 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839773 638628197 /nfs/dbraw/zinc/62/81/97/638628197.db2.gz DRBURHQRYMMLBI-ZTFGCOKTSA-N 2 1 288.435 3.268 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925838179 638628691 /nfs/dbraw/zinc/62/86/91/638628691.db2.gz KYPFUXUNGNOSSR-LVQVYYBASA-N 2 1 294.389 3.156 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926571957 638786816 /nfs/dbraw/zinc/78/68/16/638786816.db2.gz APVJCHQRPYSCHO-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000926572886 638786889 /nfs/dbraw/zinc/78/68/89/638786889.db2.gz ICBTXTWBOKUATD-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926701347 638800826 /nfs/dbraw/zinc/80/08/26/638800826.db2.gz HKCLSKZGAPEYLG-RDJZCZTQSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926701347 638800828 /nfs/dbraw/zinc/80/08/28/638800828.db2.gz HKCLSKZGAPEYLG-RDJZCZTQSA-N 2 1 287.451 3.009 20 0 CGADMP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926736860 638805369 /nfs/dbraw/zinc/80/53/69/638805369.db2.gz BPPQPGBHXRYLJN-OWLYRPNTSA-N 2 1 274.452 3.053 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929469971 638927009 /nfs/dbraw/zinc/92/70/09/638927009.db2.gz INIUCTFOVCUQAL-YOWGUQMCSA-N 2 1 286.410 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2CF)CCN1C ZINC000929779570 638950552 /nfs/dbraw/zinc/95/05/52/638950552.db2.gz BJDVMLHUIVCPTA-CJNGLKHVSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2CF)CC[NH+]1C ZINC000929779570 638950557 /nfs/dbraw/zinc/95/05/57/638950557.db2.gz BJDVMLHUIVCPTA-CJNGLKHVSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2CF)CC[NH+]1C ZINC000929779570 638950559 /nfs/dbraw/zinc/95/05/59/638950559.db2.gz BJDVMLHUIVCPTA-CJNGLKHVSA-N 2 1 264.388 3.071 20 0 CGADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930060210 638971876 /nfs/dbraw/zinc/97/18/76/638971876.db2.gz HAEWHYBNSBJSRL-VQIMIIECSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930060210 638971878 /nfs/dbraw/zinc/97/18/78/638971878.db2.gz HAEWHYBNSBJSRL-VQIMIIECSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000930060210 638971880 /nfs/dbraw/zinc/97/18/80/638971880.db2.gz HAEWHYBNSBJSRL-VQIMIIECSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000930060210 638971883 /nfs/dbraw/zinc/97/18/83/638971883.db2.gz HAEWHYBNSBJSRL-VQIMIIECSA-N 2 1 299.462 3.147 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931308392 639133818 /nfs/dbraw/zinc/13/38/18/639133818.db2.gz TUFDRFVGOCTUCA-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308398 639133828 /nfs/dbraw/zinc/13/38/28/639133828.db2.gz TUFDRFVGOCTUCA-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931351490 639139824 /nfs/dbraw/zinc/13/98/24/639139824.db2.gz OTTMPQQSKYTTPR-OAHLLOKOSA-N 2 1 260.425 3.472 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C/C=C(\C)COC)CC1 ZINC000931685190 639189452 /nfs/dbraw/zinc/18/94/52/639189452.db2.gz DNANSHVRLDLYCP-CAOOACKPSA-N 2 1 294.483 3.310 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000193694157 640487852 /nfs/dbraw/zinc/48/78/52/640487852.db2.gz XXWKYRWNXGUELS-KRWDZBQOSA-N 2 1 280.456 3.123 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)o1 ZINC000092066768 640730967 /nfs/dbraw/zinc/73/09/67/640730967.db2.gz ZKMINNCMYRHKBS-QAPCUYQASA-N 2 1 288.435 3.345 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)o1 ZINC000092066768 640730970 /nfs/dbraw/zinc/73/09/70/640730970.db2.gz ZKMINNCMYRHKBS-QAPCUYQASA-N 2 1 288.435 3.345 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCCSC)[C@@H](C)C1 ZINC000248446548 640760521 /nfs/dbraw/zinc/76/05/21/640760521.db2.gz CPXIERZHNVAAEJ-LSDHHAIUSA-N 2 1 272.502 3.230 20 0 CGADMP CC[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133751 640858921 /nfs/dbraw/zinc/85/89/21/640858921.db2.gz FZVRDMLNEOJQQU-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133751 640858922 /nfs/dbraw/zinc/85/89/22/640858922.db2.gz FZVRDMLNEOJQQU-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC001253095762 806166855 /nfs/dbraw/zinc/16/68/55/806166855.db2.gz MGPZTBYRYBFVCW-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP c1ccc2c(Nc3cccc4c3C[NH2+]C4)cc[nH+]c2c1 ZINC001159764497 806166419 /nfs/dbraw/zinc/16/64/19/806166419.db2.gz NGAKGXXISJTILN-UHFFFAOYSA-N 2 1 261.328 3.004 20 0 CGADMP Cc1cc(Nc2ccc3c(c2)C[NH2+]CC3(C)C)c[nH+]c1N ZINC001160284979 806249325 /nfs/dbraw/zinc/24/93/25/806249325.db2.gz LJJCFCSTOZXDLY-UHFFFAOYSA-N 2 1 282.391 3.097 20 0 CGADMP COc1cc(NCC[C@H]2CCC[N@H+]2C)nc2ccccc21 ZINC001160970486 806331442 /nfs/dbraw/zinc/33/14/42/806331442.db2.gz KSMSMLOOZKGLJX-CYBMUJFWSA-N 2 1 285.391 3.140 20 0 CGADMP COc1cc(NCC[C@H]2CCC[N@@H+]2C)[nH+]c2ccccc21 ZINC001160970486 806331452 /nfs/dbraw/zinc/33/14/52/806331452.db2.gz KSMSMLOOZKGLJX-CYBMUJFWSA-N 2 1 285.391 3.140 20 0 CGADMP COc1cc(NCC[C@H]2CCC[N@H+]2C)[nH+]c2ccccc21 ZINC001160970486 806331461 /nfs/dbraw/zinc/33/14/61/806331461.db2.gz KSMSMLOOZKGLJX-CYBMUJFWSA-N 2 1 285.391 3.140 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001254491282 806416395 /nfs/dbraw/zinc/41/63/95/806416395.db2.gz SVTSZTGCYQKHAX-RDJZCZTQSA-N 2 1 262.441 3.315 20 0 CGADMP Cc1cc2cc(C[NH3+])ccc2n1[C@@H]1CCC[N@H+](C)CC1 ZINC001254497147 806419714 /nfs/dbraw/zinc/41/97/14/806419714.db2.gz GCUGGISGPPVVRB-MRXNPFEDSA-N 2 1 271.408 3.065 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC001254500958 806421247 /nfs/dbraw/zinc/42/12/47/806421247.db2.gz ZXYZIIVPSMOILJ-INIZCTEOSA-N 2 1 280.843 3.347 20 0 CGADMP C[N@H+]1CCC[C@@H](n2c3ccccc3c3c2CC[C@H]([NH3+])C3)CC1 ZINC001254505758 806424604 /nfs/dbraw/zinc/42/46/04/806424604.db2.gz ISZLLXFOTWSLHF-LSDHHAIUSA-N 2 1 297.446 3.114 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC001254504830 806425541 /nfs/dbraw/zinc/42/55/41/806425541.db2.gz XJVJZUDFUFFHOY-INIZCTEOSA-N 2 1 292.854 3.446 20 0 CGADMP Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254507595 806426753 /nfs/dbraw/zinc/42/67/53/806426753.db2.gz CTHIZTLPCGQALO-QGZVFWFLSA-N 2 1 274.452 3.390 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254511076 806431032 /nfs/dbraw/zinc/43/10/32/806431032.db2.gz URHYNAASOSDZIE-AWEZNQCLSA-N 2 1 276.424 3.004 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[NH+](C)CC1 ZINC001254523626 806440315 /nfs/dbraw/zinc/44/03/15/806440315.db2.gz QHMMSBWTCFWOAT-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523626 806440320 /nfs/dbraw/zinc/44/03/20/806440320.db2.gz QHMMSBWTCFWOAT-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523626 806440325 /nfs/dbraw/zinc/44/03/25/806440325.db2.gz QHMMSBWTCFWOAT-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP CC(C)C[N@@H+](C1Cc2ccccc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255018246 806526826 /nfs/dbraw/zinc/52/68/26/806526826.db2.gz IRZPYXZCJUONOF-IYARVYRRSA-N 2 1 286.463 3.382 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2CCSCC2)CC1 ZINC001255085578 806538669 /nfs/dbraw/zinc/53/86/69/806538669.db2.gz KLEXZQKIQIUXAG-MQMHXKEQSA-N 2 1 268.470 3.006 20 0 CGADMP FC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255123146 806548742 /nfs/dbraw/zinc/54/87/42/806548742.db2.gz YSUYKGHMQCSIAN-NJZDOBRDSA-N 2 1 288.410 3.272 20 0 CGADMP CC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2Cl)CC1 ZINC001257436075 807154784 /nfs/dbraw/zinc/15/47/84/807154784.db2.gz PXNYMKWTQWRGCT-GFCCVEGCSA-N 2 1 266.816 3.388 20 0 CGADMP Fc1ccc2c(cc[nH+]c2NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001162579174 806623160 /nfs/dbraw/zinc/62/31/60/806623160.db2.gz HGDFHOBRVDAMHG-INIZCTEOSA-N 2 1 291.345 3.268 20 0 CGADMP Cc1cc[nH+]c2cc(NC[C@]3(F)CCCC[NH2+]C3)ccc12 ZINC001162583452 806623419 /nfs/dbraw/zinc/62/34/19/806623419.db2.gz OQZUKHMRPYTODH-KRWDZBQOSA-N 2 1 287.382 3.437 20 0 CGADMP CCCCc1nc(NC[C@]2(F)CCCC[NH2+]C2)cc(C)[nH+]1 ZINC001162579842 806623929 /nfs/dbraw/zinc/62/39/29/806623929.db2.gz JTOFVEIGSJVLJX-INIZCTEOSA-N 2 1 294.418 3.021 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255376790 806627890 /nfs/dbraw/zinc/62/78/90/806627890.db2.gz CJGUBTLTUDWGTD-BPQIPLTHSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382160 806630484 /nfs/dbraw/zinc/63/04/84/806630484.db2.gz SIUPZYKUJIXARS-OIISXLGYSA-N 2 1 258.409 3.039 20 0 CGADMP [NH3+][C@@H]1Cc2ccccc2N(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001162847966 806674499 /nfs/dbraw/zinc/67/44/99/806674499.db2.gz BUSHPUBIGKCORO-LLVKDONJSA-N 2 1 293.292 3.122 20 0 CGADMP COC[C@H](C)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255562640 806674640 /nfs/dbraw/zinc/67/46/40/806674640.db2.gz MHQIAYPUIFIJHN-XIRDDKMYSA-N 2 1 282.472 3.174 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000037643719 798871324 /nfs/dbraw/zinc/87/13/24/798871324.db2.gz JJMDLDQJBCEWFT-MRXNPFEDSA-N 2 1 274.452 3.416 20 0 CGADMP Cc1csc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255662872 806698661 /nfs/dbraw/zinc/69/86/61/806698661.db2.gz UOCLAVBTQNAGIJ-AGUYFDCRSA-N 2 1 264.438 3.161 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255671874 806701699 /nfs/dbraw/zinc/70/16/99/806701699.db2.gz WQCUXQSEZAGAGE-PHSGOXPASA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255671874 806701702 /nfs/dbraw/zinc/70/17/02/806701702.db2.gz WQCUXQSEZAGAGE-PHSGOXPASA-N 2 1 299.462 3.446 20 0 CGADMP C[N@H+](CCc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674372 806703015 /nfs/dbraw/zinc/70/30/15/806703015.db2.gz RMZBHXLVMQWMHT-JWTNVVGKSA-N 2 1 272.436 3.176 20 0 CGADMP C[N@@H+](CCc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674372 806703018 /nfs/dbraw/zinc/70/30/18/806703018.db2.gz RMZBHXLVMQWMHT-JWTNVVGKSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674372 806703020 /nfs/dbraw/zinc/70/30/20/806703020.db2.gz RMZBHXLVMQWMHT-JWTNVVGKSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674372 806703023 /nfs/dbraw/zinc/70/30/23/806703023.db2.gz RMZBHXLVMQWMHT-JWTNVVGKSA-N 2 1 272.436 3.176 20 0 CGADMP C[N@H+](CCc1cccc(F)c1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681694 806703869 /nfs/dbraw/zinc/70/38/69/806703869.db2.gz BPWPBHUMHOQTKV-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681694 806703873 /nfs/dbraw/zinc/70/38/73/806703873.db2.gz BPWPBHUMHOQTKV-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1cccc(F)c1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681694 806703877 /nfs/dbraw/zinc/70/38/77/806703877.db2.gz BPWPBHUMHOQTKV-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1cccc(F)c1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681694 806703882 /nfs/dbraw/zinc/70/38/82/806703882.db2.gz BPWPBHUMHOQTKV-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000121826190 798989141 /nfs/dbraw/zinc/98/91/41/798989141.db2.gz DWLLOGUBPMLOLY-QAPCUYQASA-N 2 1 290.451 3.468 20 0 CGADMP COc1ccc(CCC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000193477710 799128828 /nfs/dbraw/zinc/12/88/28/799128828.db2.gz BPXUUJCVMUIAGC-UHFFFAOYSA-N 2 1 290.451 3.046 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC000312945854 799229897 /nfs/dbraw/zinc/22/98/97/799229897.db2.gz QPVHIARZCDWDMH-MRXNPFEDSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001255759946 806739232 /nfs/dbraw/zinc/73/92/32/806739232.db2.gz FFXMNUREWUUWSW-VYDXJSESSA-N 2 1 292.492 3.405 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001255759946 806739241 /nfs/dbraw/zinc/73/92/41/806739241.db2.gz FFXMNUREWUUWSW-VYDXJSESSA-N 2 1 292.492 3.405 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000380501476 799363807 /nfs/dbraw/zinc/36/38/07/799363807.db2.gz NWHSLQRBQAZYRD-LLVKDONJSA-N 2 1 286.404 3.152 20 0 CGADMP Cc1cc(C)[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001163356217 806744344 /nfs/dbraw/zinc/74/43/44/806744344.db2.gz AJLJPGZVNBBHFO-ZFWWWQNUSA-N 2 1 261.413 3.229 20 0 CGADMP c1ccc(CCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000383272454 799401254 /nfs/dbraw/zinc/40/12/54/799401254.db2.gz JESUKJSTUOFYJK-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000386560435 799437458 /nfs/dbraw/zinc/43/74/58/799437458.db2.gz VIOMQLRPKSGZDW-CWRNSKLLSA-N 2 1 252.446 3.116 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(C)c1 ZINC000389184929 799461017 /nfs/dbraw/zinc/46/10/17/799461017.db2.gz ZHFDFFHEIFMJMH-INIZCTEOSA-N 2 1 260.425 3.173 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H](C)C1 ZINC001163365657 806749689 /nfs/dbraw/zinc/74/96/89/806749689.db2.gz LSBZCQFJEACGBB-XJKSGUPXSA-N 2 1 273.424 3.490 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H](C)C1 ZINC001163365657 806749693 /nfs/dbraw/zinc/74/96/93/806749693.db2.gz LSBZCQFJEACGBB-XJKSGUPXSA-N 2 1 273.424 3.490 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC001255782289 806749714 /nfs/dbraw/zinc/74/97/14/806749714.db2.gz XDORKGGOLALQBX-LPHOPBHVSA-N 2 1 286.463 3.390 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)cc1 ZINC001255782289 806749717 /nfs/dbraw/zinc/74/97/17/806749717.db2.gz XDORKGGOLALQBX-LPHOPBHVSA-N 2 1 286.463 3.390 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)[C@H]1CC[NH3+] ZINC000404451772 799577278 /nfs/dbraw/zinc/57/72/78/799577278.db2.gz ZDHJZUBYNKOJOM-UTUOFQBUSA-N 2 1 279.255 3.020 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cc2ccccc2o1 ZINC000405236385 799582612 /nfs/dbraw/zinc/58/26/12/799582612.db2.gz DVZJCESYDMYIGS-IUIKQTSFSA-N 2 1 270.376 3.353 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255834262 806762148 /nfs/dbraw/zinc/76/21/48/806762148.db2.gz FXILNUIVLLIVAT-MXASKKJJSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255834262 806762153 /nfs/dbraw/zinc/76/21/53/806762153.db2.gz FXILNUIVLLIVAT-MXASKKJJSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693559416 799812123 /nfs/dbraw/zinc/81/21/23/799812123.db2.gz LGHUNRISMAFGDH-COPLHBTASA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1(Cl)CC1 ZINC000695634704 799829628 /nfs/dbraw/zinc/82/96/28/799829628.db2.gz BGIRCOHNGVIJAR-CHWSQXEVSA-N 2 1 258.837 3.000 20 0 CGADMP CC(C)[N@H+](Cc1cccs1)C[C@@H]1CCCC[NH2+]C1 ZINC000696999673 799843326 /nfs/dbraw/zinc/84/33/26/799843326.db2.gz QKZPQCWFAGTHIC-CQSZACIVSA-N 2 1 266.454 3.348 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000697919827 799851709 /nfs/dbraw/zinc/85/17/09/799851709.db2.gz LKHCBDKIJNEQPF-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000700679796 799877102 /nfs/dbraw/zinc/87/71/02/799877102.db2.gz YVNXMNRPXTYZMM-SNVBAGLBSA-N 2 1 273.207 3.164 20 0 CGADMP c1c(C[N@H+]2CCCC3(CC3)CC2)sc2c1C[NH2+]CC2 ZINC000702564387 799910673 /nfs/dbraw/zinc/91/06/73/799910673.db2.gz GUPDCCVBVZYEBW-UHFFFAOYSA-N 2 1 276.449 3.160 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C)cc(F)c1 ZINC001255942667 806790885 /nfs/dbraw/zinc/79/08/85/806790885.db2.gz AELYYVMPPXCTPY-AWEZNQCLSA-N 2 1 266.404 3.344 20 0 CGADMP CC[C@H]([NH2+][C@H](C)CC[NH+](CC)CC)c1ccccn1 ZINC001255947820 806794064 /nfs/dbraw/zinc/79/40/64/806794064.db2.gz XDROVQNCYYBPHO-CABCVRRESA-N 2 1 263.429 3.243 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)[C@@H]1CC[NH3+] ZINC000709756510 800016555 /nfs/dbraw/zinc/01/65/55/800016555.db2.gz UZIHMCIWONSPBU-RBSFLKMASA-N 2 1 282.472 3.029 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000710443563 800035194 /nfs/dbraw/zinc/03/51/94/800035194.db2.gz CTQXRABXIGQAHB-RGYNNNPXSA-N 2 1 278.484 3.379 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000710443563 800035200 /nfs/dbraw/zinc/03/52/00/800035200.db2.gz CTQXRABXIGQAHB-RGYNNNPXSA-N 2 1 278.484 3.379 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000710730899 800039191 /nfs/dbraw/zinc/03/91/91/800039191.db2.gz YEWWQCXDGLPMGN-ZDUSSCGKSA-N 2 1 252.377 3.338 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCOc1cccc(Cl)c1 ZINC000710837013 800041209 /nfs/dbraw/zinc/04/12/09/800041209.db2.gz OIOADXQCAGGNCH-UHFFFAOYSA-N 2 1 284.831 3.170 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001255963330 806799372 /nfs/dbraw/zinc/79/93/72/806799372.db2.gz FRTAOOWGMKCVMO-AEFFLSMTSA-N 2 1 289.467 3.209 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC001255957900 806799475 /nfs/dbraw/zinc/79/94/75/806799475.db2.gz WMCPMIDSTJANQN-LBPRGKRZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001255960326 806800393 /nfs/dbraw/zinc/80/03/93/806800393.db2.gz GRXBBLIUHRIKNV-NVXWUHKLSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001255960326 806800399 /nfs/dbraw/zinc/80/03/99/806800399.db2.gz GRXBBLIUHRIKNV-NVXWUHKLSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](CC)Cc1cccnc1 ZINC001255964134 806802948 /nfs/dbraw/zinc/80/29/48/806802948.db2.gz PCHRCMSRGBFCCU-HNNXBMFYSA-N 2 1 263.429 3.024 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC)Cc1cccnc1 ZINC001255964134 806802955 /nfs/dbraw/zinc/80/29/55/806802955.db2.gz PCHRCMSRGBFCCU-HNNXBMFYSA-N 2 1 263.429 3.024 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CCOC2(C)C)CC1 ZINC001255971846 806803933 /nfs/dbraw/zinc/80/39/33/806803933.db2.gz LOXCHCPSCVOODG-INIZCTEOSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)C[NH2+]1 ZINC000714263988 800118360 /nfs/dbraw/zinc/11/83/60/800118360.db2.gz ZGHOLJVIQANDBL-OLMNGRFOSA-N 2 1 250.430 3.075 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC(F)(F)CC1 ZINC001256071752 806810345 /nfs/dbraw/zinc/81/03/45/806810345.db2.gz NGHJHVQZIISWJD-UHFFFAOYSA-N 2 1 286.410 3.418 20 0 CGADMP Fc1ccccc1CC1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072062 806811934 /nfs/dbraw/zinc/81/19/34/806811934.db2.gz WKAMBOSORQEPIS-UHFFFAOYSA-N 2 1 288.410 3.117 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000718755697 800222087 /nfs/dbraw/zinc/22/20/87/800222087.db2.gz VLZHIYSBMUSTEU-BRWVUGGUSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+](CC/C=C/c1cccnc1)C1CC[NH+](C2CC2)CC1 ZINC001256080893 806817303 /nfs/dbraw/zinc/81/73/03/806817303.db2.gz GRAYLKITRQQNOI-GORDUTHDSA-N 2 1 285.435 3.044 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)C1CC[NH+](C2CC2)CC1 ZINC001256080893 806817309 /nfs/dbraw/zinc/81/73/09/806817309.db2.gz GRAYLKITRQQNOI-GORDUTHDSA-N 2 1 285.435 3.044 20 0 CGADMP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1C1CCCCCCC1 ZINC000721514404 800291065 /nfs/dbraw/zinc/29/10/65/800291065.db2.gz JGWJZLMQYUKGID-SFHVURJKSA-N 2 1 272.436 3.485 20 0 CGADMP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1C1CCCCCCC1 ZINC000721514404 800291071 /nfs/dbraw/zinc/29/10/71/800291071.db2.gz JGWJZLMQYUKGID-SFHVURJKSA-N 2 1 272.436 3.485 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723675164 800336526 /nfs/dbraw/zinc/33/65/26/800336526.db2.gz PHADVSOZPNTZGS-NEPJUHHUSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900869 800343815 /nfs/dbraw/zinc/34/38/15/800343815.db2.gz DDAXLZXQCFGDFV-MBNYWOFBSA-N 2 1 266.816 3.318 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2cccc(OC)c2)CC1 ZINC001256163924 806840605 /nfs/dbraw/zinc/84/06/05/806840605.db2.gz IHYHXPLTEVXPOS-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2cccc(OC)c2)CC1 ZINC001256163924 806840612 /nfs/dbraw/zinc/84/06/12/806840612.db2.gz IHYHXPLTEVXPOS-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2c(Cl)cccc2Cl)CC1 ZINC001256194466 806846685 /nfs/dbraw/zinc/84/66/85/806846685.db2.gz CCJRGQSZUFMAKW-UHFFFAOYSA-N 2 1 287.234 3.220 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1C1CCN(C)CC1 ZINC001256205221 806850835 /nfs/dbraw/zinc/85/08/35/806850835.db2.gz XNKSLHAWMKCZCQ-QGZVFWFLSA-N 2 1 258.409 3.226 20 0 CGADMP Cn1ccc2cc[nH+]c(NCc3cccc(C[NH+](C)C)c3)c21 ZINC001163992821 806870672 /nfs/dbraw/zinc/87/06/72/806870672.db2.gz FHNXHLPHXURXIS-UHFFFAOYSA-N 2 1 294.402 3.247 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2ccccn2)CC1 ZINC001256417671 806890836 /nfs/dbraw/zinc/89/08/36/806890836.db2.gz XCCOTOQMNFCNOD-MRXNPFEDSA-N 2 1 289.467 3.065 20 0 CGADMP CC[N@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536161 806910751 /nfs/dbraw/zinc/91/07/51/806910751.db2.gz FNEJLLFKGUHVIG-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CC[N@@H+](CCOC)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256536161 806910754 /nfs/dbraw/zinc/91/07/54/806910754.db2.gz FNEJLLFKGUHVIG-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+](CCOC)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536161 806910756 /nfs/dbraw/zinc/91/07/56/806910756.db2.gz FNEJLLFKGUHVIG-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+](CCOC)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256536161 806910759 /nfs/dbraw/zinc/91/07/59/806910759.db2.gz FNEJLLFKGUHVIG-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H]1CCCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256569666 806919550 /nfs/dbraw/zinc/91/95/50/806919550.db2.gz MWLNWPXVHGWWOT-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP COc1cccc(C[N@H+](C)C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256571365 806919761 /nfs/dbraw/zinc/91/97/61/806919761.db2.gz FLWAKDKKTDATBB-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP COc1cccc(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256571365 806919768 /nfs/dbraw/zinc/91/97/68/806919768.db2.gz FLWAKDKKTDATBB-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP Cc1cccc(Cl)c1C(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621622 806928427 /nfs/dbraw/zinc/92/84/27/806928427.db2.gz YMSHFYLAKYWZBB-YHWZYXNKSA-N 2 1 291.826 3.189 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258343307 807420334 /nfs/dbraw/zinc/42/03/34/807420334.db2.gz WSATUVLOKKMHPN-ZDUSSCGKSA-N 2 1 272.502 3.180 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccncc1 ZINC001256728196 806961140 /nfs/dbraw/zinc/96/11/40/806961140.db2.gz GUZMBNJLRYGJNV-SJORKVTESA-N 2 1 297.446 3.110 20 0 CGADMP C[C@@H](Cc1ccncc1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256733032 806963138 /nfs/dbraw/zinc/96/31/38/806963138.db2.gz VBNPOQWFKZJKLD-ZVZYQTTQSA-N 2 1 287.451 3.137 20 0 CGADMP COc1ccccc1C1([NH2+]CCCn2cc[nH+]c2C)CCC1 ZINC001116470072 802359867 /nfs/dbraw/zinc/35/98/67/802359867.db2.gz KJEYBUNCBZHVJW-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC001116488387 802363078 /nfs/dbraw/zinc/36/30/78/802363078.db2.gz RBIUTRYEXMLUSK-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172755517 808431391 /nfs/dbraw/zinc/43/13/91/808431391.db2.gz IGXPYAITWXODQK-HNNXBMFYSA-N 2 1 298.471 3.090 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1C1CC1)CC2 ZINC001275412959 808935667 /nfs/dbraw/zinc/93/56/67/808935667.db2.gz FRDXCYUFJKKZQV-UHFFFAOYSA-N 2 1 284.447 3.482 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC001118991888 802625911 /nfs/dbraw/zinc/62/59/11/802625911.db2.gz ROSMJOVCLRFIKS-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP CCC1CCC([N@@H+](CC)C2CCN(C)CC2)CC1 ZINC001256873801 806997733 /nfs/dbraw/zinc/99/77/33/806997733.db2.gz SVWDYYUOMLAYJM-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP F[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895838 807000228 /nfs/dbraw/zinc/00/02/28/807000228.db2.gz YSGYWXPBZVROMA-RBSFLKMASA-N 2 1 268.420 3.121 20 0 CGADMP F[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895838 807000235 /nfs/dbraw/zinc/00/02/35/807000235.db2.gz YSGYWXPBZVROMA-RBSFLKMASA-N 2 1 268.420 3.121 20 0 CGADMP [NH3+]Cc1ccc2ncn([C@H]3CCC[N@H+](C4CCCC4)C3)c2c1 ZINC001256903259 807004833 /nfs/dbraw/zinc/00/48/33/807004833.db2.gz ZRLOXUJAENFNPJ-INIZCTEOSA-N 2 1 298.434 3.075 20 0 CGADMP [NH3+][C@H]1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC001256901731 807005102 /nfs/dbraw/zinc/00/51/02/807005102.db2.gz JOTVCHAISPFJHJ-AEFFLSMTSA-N 2 1 299.462 3.304 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205539323 812996098 /nfs/dbraw/zinc/99/60/98/812996098.db2.gz WQRWLWCNINSPAE-GJZGRUSLSA-N 2 1 258.425 3.356 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC001205136106 812882997 /nfs/dbraw/zinc/88/29/97/812882997.db2.gz ONGUCODERLSLMQ-QWHCGFSZSA-N 2 1 266.454 3.117 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(/C=C/C2CC[NH2+]CC2)nc1 ZINC001243893399 803064292 /nfs/dbraw/zinc/06/42/92/803064292.db2.gz BHVCNCCSUPCMDR-BIENSFFJSA-N 2 1 299.462 3.469 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001205280572 812929081 /nfs/dbraw/zinc/92/90/81/812929081.db2.gz COBUGDLWEVQBOH-QGZVFWFLSA-N 2 1 287.382 3.077 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206014868 813166756 /nfs/dbraw/zinc/16/67/56/813166756.db2.gz YIIMVSJMLODLPV-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP CC(C)Oc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1F ZINC001206812245 813443209 /nfs/dbraw/zinc/44/32/09/813443209.db2.gz YRWQESSCEKOUMY-DZGCQCFKSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1F ZINC001206812245 813443214 /nfs/dbraw/zinc/44/32/14/813443214.db2.gz YRWQESSCEKOUMY-DZGCQCFKSA-N 2 1 294.414 3.172 20 0 CGADMP Cc1csc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137161707 803692121 /nfs/dbraw/zinc/69/21/21/803692121.db2.gz PTSFIFVYGQLMDZ-CQSZACIVSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1csc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137161707 803692126 /nfs/dbraw/zinc/69/21/26/803692126.db2.gz PTSFIFVYGQLMDZ-CQSZACIVSA-N 2 1 288.416 3.413 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(C(C)(C)C)[nH]3)C[C@H]2C1 ZINC001137379616 803725988 /nfs/dbraw/zinc/72/59/88/803725988.db2.gz YHEFPZHAJYHSHL-GASCZTMLSA-N 2 1 289.467 3.086 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001137852487 803784799 /nfs/dbraw/zinc/78/47/99/803784799.db2.gz CMIVSVVSPVXICD-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001137852487 803784809 /nfs/dbraw/zinc/78/48/09/803784809.db2.gz CMIVSVVSPVXICD-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP Cc1cc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1F ZINC001245544699 803804047 /nfs/dbraw/zinc/80/40/47/803804047.db2.gz LQCYPDMXUXBZPP-UHFFFAOYSA-N 2 1 299.324 3.275 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1F ZINC001137969793 803814170 /nfs/dbraw/zinc/81/41/70/803814170.db2.gz IWZJVQPNPBUJCV-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP CCC[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543453 803963139 /nfs/dbraw/zinc/96/31/39/803963139.db2.gz OZPKBIRDSLHMOM-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP CCC[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543453 803963146 /nfs/dbraw/zinc/96/31/46/803963146.db2.gz OZPKBIRDSLHMOM-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001138544218 803963822 /nfs/dbraw/zinc/96/38/22/803963822.db2.gz DTLONSSGMVLPRL-CYBMUJFWSA-N 2 1 255.365 3.023 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001138544218 803963826 /nfs/dbraw/zinc/96/38/26/803963826.db2.gz DTLONSSGMVLPRL-CYBMUJFWSA-N 2 1 255.365 3.023 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C2CC(C)C2)cc1 ZINC001138544440 803964457 /nfs/dbraw/zinc/96/44/57/803964457.db2.gz IIEHKGXXZMMACN-UHFFFAOYSA-N 2 1 269.392 3.411 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C2CC(C)C2)cc1 ZINC001138544440 803964464 /nfs/dbraw/zinc/96/44/64/803964464.db2.gz IIEHKGXXZMMACN-UHFFFAOYSA-N 2 1 269.392 3.411 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001138550380 803966994 /nfs/dbraw/zinc/96/69/94/803966994.db2.gz RMWRWZSLAQNKTN-WBVHZDCISA-N 2 1 267.376 3.165 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001138550380 803966998 /nfs/dbraw/zinc/96/69/98/803966998.db2.gz RMWRWZSLAQNKTN-WBVHZDCISA-N 2 1 267.376 3.165 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](CC2CC2)C2CC2)cc1 ZINC001138771916 804035015 /nfs/dbraw/zinc/03/50/15/804035015.db2.gz KKJVRVQZAPTIDK-UHFFFAOYSA-N 2 1 288.435 3.001 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@H](CC)[NH2+]1 ZINC001246092331 804123859 /nfs/dbraw/zinc/12/38/59/804123859.db2.gz AERLAZYDWRZHCK-BTTYYORXSA-N 2 1 282.378 3.364 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246101346 804133358 /nfs/dbraw/zinc/13/33/58/804133358.db2.gz KKSOAQSSMNXYFD-BZZMCLGOSA-N 2 1 272.436 3.300 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@]2(F)CCCC[NH2+]C2)cc1 ZINC001246115684 804148485 /nfs/dbraw/zinc/14/84/85/804148485.db2.gz RYRRHZTZEDWBMI-YJBOKZPZSA-N 2 1 292.442 3.251 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2cccnc2c1 ZINC001139168943 804148724 /nfs/dbraw/zinc/14/87/24/804148724.db2.gz DFPSIJVFKNMVKP-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2cccnc2c1 ZINC001139168943 804148728 /nfs/dbraw/zinc/14/87/28/804148728.db2.gz DFPSIJVFKNMVKP-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP Cn1ccc2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc21 ZINC001139205648 804162404 /nfs/dbraw/zinc/16/24/04/804162404.db2.gz PAWIWCQLLAXZIE-UHFFFAOYSA-N 2 1 285.435 3.096 20 0 CGADMP Cn1ccc2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc21 ZINC001139205648 804162407 /nfs/dbraw/zinc/16/24/07/804162407.db2.gz PAWIWCQLLAXZIE-UHFFFAOYSA-N 2 1 285.435 3.096 20 0 CGADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246168631 804182998 /nfs/dbraw/zinc/18/29/98/804182998.db2.gz YXRSQFBYHXXRGJ-WBVHZDCISA-N 2 1 289.467 3.009 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CC[NH2+]1 ZINC001246168156 804183165 /nfs/dbraw/zinc/18/31/65/804183165.db2.gz XFHGPCZLKLJNGR-IRXDYDNUSA-N 2 1 289.467 3.153 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)C[NH2+]1 ZINC001246171378 804186197 /nfs/dbraw/zinc/18/61/97/804186197.db2.gz AMZZKXBUUUVOFB-WBVHZDCISA-N 2 1 272.436 3.229 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)C[NH2+]1 ZINC001246171377 804186419 /nfs/dbraw/zinc/18/64/19/804186419.db2.gz AMZZKXBUUUVOFB-RDJZCZTQSA-N 2 1 272.436 3.229 20 0 CGADMP CNc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246174004 804187833 /nfs/dbraw/zinc/18/78/33/804187833.db2.gz VDJCUGFXHCUCHM-RTBURBONSA-N 2 1 295.430 3.311 20 0 CGADMP F[C@]1(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246181667 804195333 /nfs/dbraw/zinc/19/53/33/804195333.db2.gz RMNHPTHRQLRZPN-FGTMMUONSA-N 2 1 290.426 3.394 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246183857 804195502 /nfs/dbraw/zinc/19/55/02/804195502.db2.gz UWSNPUFHSKUZNX-RRFJBIMHSA-N 2 1 258.425 3.129 20 0 CGADMP C[C@]12CC3CC([NH2+][C@@H]4CCC[NH2+]C4)(C1)C[C@@](C)(C3)C2 ZINC001246181578 804195577 /nfs/dbraw/zinc/19/55/77/804195577.db2.gz ZWJSISXWFMQJSR-IZTSSTLKSA-N 2 1 262.441 3.077 20 0 CGADMP CC[C@@H](CC(C)C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246223021 804217704 /nfs/dbraw/zinc/21/77/04/804217704.db2.gz UKEJZRUDHJTXLW-QWHCGFSZSA-N 2 1 262.388 3.036 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(F)c2)CC[NH2+]1 ZINC001246225467 804219132 /nfs/dbraw/zinc/21/91/32/804219132.db2.gz MZSXQZPRWIGSKJ-CABCVRRESA-N 2 1 294.414 3.235 20 0 CGADMP CCCCC[C@@H](CC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246226131 804220249 /nfs/dbraw/zinc/22/02/49/804220249.db2.gz FKLWNZWINWRNKG-QWHCGFSZSA-N 2 1 262.388 3.180 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246236363 804228861 /nfs/dbraw/zinc/22/88/61/804228861.db2.gz RMCJPQPKKPRXMA-HOTGVXAUSA-N 2 1 264.388 3.000 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246266585 804245901 /nfs/dbraw/zinc/24/59/01/804245901.db2.gz XTGYVYBWUVXUIY-XFBWCDHKSA-N 2 1 282.378 3.392 20 0 CGADMP FC(F)(F)c1ccccc1C1([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246264392 804246099 /nfs/dbraw/zinc/24/60/99/804246099.db2.gz GXTUNOYSVDMJIP-UHFFFAOYSA-N 2 1 284.325 3.036 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001246268798 804247093 /nfs/dbraw/zinc/24/70/93/804247093.db2.gz XFPFRPKIUSWNJF-NSHDSACASA-N 2 1 286.341 3.282 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[NH2+]1 ZINC001246275577 804252120 /nfs/dbraw/zinc/25/21/20/804252120.db2.gz AMMGOHWCUSUFNF-VUCTXSBTSA-N 2 1 294.389 3.318 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246279368 804255450 /nfs/dbraw/zinc/25/54/50/804255450.db2.gz MVNXTRHHYKRUCL-LSDHHAIUSA-N 2 1 282.378 3.320 20 0 CGADMP C[C@@H]1CC([NH2+]C(C)(C)c2cc(F)cc(F)c2)C[C@@H](C)[NH2+]1 ZINC001246281686 804256510 /nfs/dbraw/zinc/25/65/10/804256510.db2.gz UFDSWNPLUVBWHY-GHMZBOCLSA-N 2 1 282.378 3.319 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C2(C[NH3+])CCCC2)cc1 ZINC001246285691 804260250 /nfs/dbraw/zinc/26/02/50/804260250.db2.gz JLTQUASWGJLCAS-OAHLLOKOSA-N 2 1 260.425 3.177 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001246310617 804273886 /nfs/dbraw/zinc/27/38/86/804273886.db2.gz FILRZOQOVUKIMW-BXUZGUMPSA-N 2 1 299.256 3.097 20 0 CGADMP COc1ccc2cccc(CCN[C@H]3CC[C@H](C)[NH2+]C3)c2c1 ZINC001246316032 804277243 /nfs/dbraw/zinc/27/72/43/804277243.db2.gz OHESOTTYGCDIKW-YOEHRIQHSA-N 2 1 298.430 3.121 20 0 CGADMP COc1ccc2cccc(CC[NH2+][C@H]3CC[C@H](C)[NH2+]C3)c2c1 ZINC001246316032 804277250 /nfs/dbraw/zinc/27/72/50/804277250.db2.gz OHESOTTYGCDIKW-YOEHRIQHSA-N 2 1 298.430 3.121 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(O)cc2)CC[NH2+]1 ZINC001246325146 804281712 /nfs/dbraw/zinc/28/17/12/804281712.db2.gz ILTLYDDSMNRXTK-LSBZLQRGSA-N 2 1 296.414 3.212 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246325363 804282354 /nfs/dbraw/zinc/28/23/54/804282354.db2.gz JUWUKFKKIMRASI-NRXISQOPSA-N 2 1 252.446 3.179 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+][C@H]2C[NH2+]CCC2(C)C)cc1 ZINC001246325445 804283070 /nfs/dbraw/zinc/28/30/70/804283070.db2.gz KLNVXTJUJWOPPA-PBHICJAKSA-N 2 1 274.452 3.158 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C(C)(C)C2)c(F)c1F ZINC001246352704 804300594 /nfs/dbraw/zinc/30/05/94/804300594.db2.gz UILFCHRSZRDSCN-RYUDHWBXSA-N 2 1 282.378 3.454 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CCC2)CC[NH2+]1 ZINC001246361216 804306649 /nfs/dbraw/zinc/30/66/49/804306649.db2.gz KDGOMLOWMHXPIP-OLZOCXBDSA-N 2 1 278.827 3.449 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246407666 804323173 /nfs/dbraw/zinc/32/31/73/804323173.db2.gz SIDGFCDXETVBLA-JSGCOSHPSA-N 2 1 286.410 3.465 20 0 CGADMP CCC(CC)[N@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246407091 804324476 /nfs/dbraw/zinc/32/44/76/804324476.db2.gz URZVAHCLEKEGHY-KMJYFZHZSA-N 3 1 293.499 3.030 20 0 CGADMP Cc1ccc(CN2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001139933188 804328963 /nfs/dbraw/zinc/32/89/63/804328963.db2.gz NDNXSSQQINYGSX-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001139933188 804328970 /nfs/dbraw/zinc/32/89/70/804328970.db2.gz NDNXSSQQINYGSX-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001139933188 804328977 /nfs/dbraw/zinc/32/89/77/804328977.db2.gz NDNXSSQQINYGSX-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001139933188 804328983 /nfs/dbraw/zinc/32/89/83/804328983.db2.gz NDNXSSQQINYGSX-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001139933188 804328988 /nfs/dbraw/zinc/32/89/88/804328988.db2.gz NDNXSSQQINYGSX-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP FC(F)(F)c1ccc(CC2([NH2+][C@H]3CC[NH2+]C3)CCC2)cc1 ZINC001246431961 804330493 /nfs/dbraw/zinc/33/04/93/804330493.db2.gz GDYJUSZGESFQNX-AWEZNQCLSA-N 2 1 298.352 3.122 20 0 CGADMP Cc1ccccc1CC(C)(C)C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246432215 804330529 /nfs/dbraw/zinc/33/05/29/804330529.db2.gz DIESJKMNTAAUQM-WBVHZDCISA-N 2 1 274.452 3.294 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]CC[NH2+]C(C)C ZINC001246451102 804335834 /nfs/dbraw/zinc/33/58/34/804335834.db2.gz FKRZKGCBXQJSQH-QGZVFWFLSA-N 2 1 262.441 3.376 20 0 CGADMP CCCCC[C@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246483446 804356198 /nfs/dbraw/zinc/35/61/98/804356198.db2.gz TWBZQJHYOKXGPD-QWHCGFSZSA-N 2 1 262.388 3.180 20 0 CGADMP CC(C)P(CC[NH2+][C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC001246470861 804347742 /nfs/dbraw/zinc/34/77/42/804347742.db2.gz SDSURVBKKKWMSG-KGLIPLIRSA-N 2 1 258.390 3.015 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246493228 804359374 /nfs/dbraw/zinc/35/93/74/804359374.db2.gz XVTJBOFJCXUNTR-BFHYXJOUSA-N 2 1 276.415 3.426 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001246503272 804363695 /nfs/dbraw/zinc/36/36/95/804363695.db2.gz JMKGWIZOBLPORJ-HOTGVXAUSA-N 2 1 280.843 3.160 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246507471 804365577 /nfs/dbraw/zinc/36/55/77/804365577.db2.gz BQMBHNLMLQXLSQ-XBVQOTNRSA-N 2 1 258.409 3.053 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246507562 804366126 /nfs/dbraw/zinc/36/61/26/804366126.db2.gz YRUWTWHJDJAWFQ-ZACQAIPSSA-N 2 1 260.425 3.286 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246523147 804378437 /nfs/dbraw/zinc/37/84/37/804378437.db2.gz WUHFZWYQVLKVKU-DLBZAZTESA-N 2 1 260.425 3.285 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246523149 804379604 /nfs/dbraw/zinc/37/96/04/804379604.db2.gz WUHFZWYQVLKVKU-IRXDYDNUSA-N 2 1 260.425 3.285 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557501 804405870 /nfs/dbraw/zinc/40/58/70/804405870.db2.gz LXEDHWJOXLHDAE-CHWSQXEVSA-N 2 1 262.388 3.261 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246539244 804386951 /nfs/dbraw/zinc/38/69/51/804386951.db2.gz GAZHWWDNUGDXMI-YNEHKIRRSA-N 2 1 298.883 3.347 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246542061 804390821 /nfs/dbraw/zinc/39/08/21/804390821.db2.gz VETACSKWZJWNSX-JJTUDDRGSA-N 2 1 292.467 3.129 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246542061 804390828 /nfs/dbraw/zinc/39/08/28/804390828.db2.gz VETACSKWZJWNSX-JJTUDDRGSA-N 2 1 292.467 3.129 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542058 804391692 /nfs/dbraw/zinc/39/16/92/804391692.db2.gz IWDNGBHTSXMLQG-JTNHKYCSSA-N 2 1 286.341 3.058 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542058 804391697 /nfs/dbraw/zinc/39/16/97/804391697.db2.gz IWDNGBHTSXMLQG-JTNHKYCSSA-N 2 1 286.341 3.058 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246542059 804391904 /nfs/dbraw/zinc/39/19/04/804391904.db2.gz VETACSKWZJWNSX-BQJWPVKWSA-N 2 1 292.467 3.129 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246542059 804391911 /nfs/dbraw/zinc/39/19/11/804391911.db2.gz VETACSKWZJWNSX-BQJWPVKWSA-N 2 1 292.467 3.129 20 0 CGADMP FC1(F)CCCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246545447 804392353 /nfs/dbraw/zinc/39/23/53/804392353.db2.gz GVPDXEFZVKFVEZ-KGLIPLIRSA-N 2 1 272.383 3.030 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246545607 804394314 /nfs/dbraw/zinc/39/43/14/804394314.db2.gz HCEYUUMXCSKCKT-AWEZNQCLSA-N 2 1 270.420 3.138 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246547964 804398571 /nfs/dbraw/zinc/39/85/71/804398571.db2.gz DGYZZMREPWVBSO-XYJFISCASA-N 2 1 274.452 3.233 20 0 CGADMP CC1(C)CCC[N@H+]1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246549965 804401369 /nfs/dbraw/zinc/40/13/69/804401369.db2.gz MVGXJPZZCZTXJZ-IAGOWNOFSA-N 2 1 272.436 3.224 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552137 804402557 /nfs/dbraw/zinc/40/25/57/804402557.db2.gz RUQVSBOURXQSKB-HUUCEWRRSA-N 2 1 258.425 3.354 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246555337 804404010 /nfs/dbraw/zinc/40/40/10/804404010.db2.gz DPQRYAPLBUUWEV-IIAWOOMASA-N 2 1 278.415 3.064 20 0 CGADMP c1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246555110 804404620 /nfs/dbraw/zinc/40/46/20/804404620.db2.gz DCUVPXZSMZKFCB-GUDVDZBRSA-N 2 1 284.447 3.398 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246558612 804408618 /nfs/dbraw/zinc/40/86/18/804408618.db2.gz NASARJIEAYGKPQ-RDBSUJKOSA-N 2 1 272.502 3.213 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC001246560640 804409422 /nfs/dbraw/zinc/40/94/22/804409422.db2.gz REHVMRDBDBYCNN-CVEARBPZSA-N 2 1 294.483 3.033 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246563765 804412244 /nfs/dbraw/zinc/41/22/44/804412244.db2.gz LTECQEWKQGDRFU-MGPQQGTHSA-N 2 1 296.455 3.366 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246563710 804412511 /nfs/dbraw/zinc/41/25/11/804412511.db2.gz SNPIEFQOTOPLQU-BRWVUGGUSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246563998 804414197 /nfs/dbraw/zinc/41/41/97/804414197.db2.gz YMBMFOKPSVNRDB-FMKPAKJESA-N 2 1 278.415 3.064 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@](F)(C[NH3+])CC1)CC2 ZINC001246564704 804414395 /nfs/dbraw/zinc/41/43/95/804414395.db2.gz ZQHUSFSFROBCQI-MSOLQXFVSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@]1(F)CCC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246571706 804419002 /nfs/dbraw/zinc/41/90/02/804419002.db2.gz FJSVBHDGOQZQNI-GJZGRUSLSA-N 2 1 268.420 3.265 20 0 CGADMP C[C@]1(F)CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246571706 804419006 /nfs/dbraw/zinc/41/90/06/804419006.db2.gz FJSVBHDGOQZQNI-GJZGRUSLSA-N 2 1 268.420 3.265 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246571977 804419736 /nfs/dbraw/zinc/41/97/36/804419736.db2.gz CQAQSADNQVCNHF-ROUUACIJSA-N 2 1 274.452 3.459 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1F ZINC001246574377 804421429 /nfs/dbraw/zinc/42/14/29/804421429.db2.gz XYTRBLHNWUFRPR-QBPKDAKJSA-N 2 1 276.399 3.084 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1F ZINC001246574377 804421434 /nfs/dbraw/zinc/42/14/34/804421434.db2.gz XYTRBLHNWUFRPR-QBPKDAKJSA-N 2 1 276.399 3.084 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246581521 804426038 /nfs/dbraw/zinc/42/60/38/804426038.db2.gz QJWBSIYNWPQUAA-IAGOWNOFSA-N 2 1 292.854 3.258 20 0 CGADMP CCC1CCC([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246581508 804426466 /nfs/dbraw/zinc/42/64/66/804426466.db2.gz QDHKTMXSGUZXOL-NRXISQOPSA-N 2 1 256.409 3.108 20 0 CGADMP CCC1CCC([N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246581508 804426470 /nfs/dbraw/zinc/42/64/70/804426470.db2.gz QDHKTMXSGUZXOL-NRXISQOPSA-N 2 1 256.409 3.108 20 0 CGADMP CC1(C)CCC[C@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246585214 804427870 /nfs/dbraw/zinc/42/78/70/804427870.db2.gz ZJBMABFUTBOFOX-DZGCQCFKSA-N 2 1 256.409 3.108 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246585214 804427875 /nfs/dbraw/zinc/42/78/75/804427875.db2.gz ZJBMABFUTBOFOX-DZGCQCFKSA-N 2 1 256.409 3.108 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589504 804431411 /nfs/dbraw/zinc/43/14/11/804431411.db2.gz SFAOZGQQSZWLDJ-IXDOHACOSA-N 2 1 278.415 3.159 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589504 804431415 /nfs/dbraw/zinc/43/14/15/804431415.db2.gz SFAOZGQQSZWLDJ-IXDOHACOSA-N 2 1 278.415 3.159 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246590696 804433269 /nfs/dbraw/zinc/43/32/69/804433269.db2.gz KQJKXEJRNZUYGI-FRRDWIJNSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246590696 804433271 /nfs/dbraw/zinc/43/32/71/804433271.db2.gz KQJKXEJRNZUYGI-FRRDWIJNSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246593890 804434958 /nfs/dbraw/zinc/43/49/58/804434958.db2.gz UEEROQFADGYONO-IPYPFGDCSA-N 2 1 280.843 3.330 20 0 CGADMP CC(C)COCC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246594295 804435714 /nfs/dbraw/zinc/43/57/14/804435714.db2.gz PUUIJEGDYCPDHQ-IAGOWNOFSA-N 2 1 284.488 3.290 20 0 CGADMP CC(C)C1CCC([N@@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246602050 804440133 /nfs/dbraw/zinc/44/01/33/804440133.db2.gz IIMAQKUTSAUVAA-UYSNPLJNSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246602050 804440135 /nfs/dbraw/zinc/44/01/35/804440135.db2.gz IIMAQKUTSAUVAA-UYSNPLJNSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C[C@H](C)C1 ZINC001246605490 804441299 /nfs/dbraw/zinc/44/12/99/804441299.db2.gz KGFZODVVTMLBHK-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246605403 804441903 /nfs/dbraw/zinc/44/19/03/804441903.db2.gz BRDOFIFLMRJPNO-HXUWFJFHSA-N 2 1 298.474 3.400 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)CC(C)(C)C1 ZINC001246611533 804444611 /nfs/dbraw/zinc/44/46/11/804444611.db2.gz UHUBIIMOMNDMPC-HLLBOEOZSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCO1 ZINC001246609772 804444654 /nfs/dbraw/zinc/44/46/54/804444654.db2.gz NNFTZUOSXFQZPV-RCCFBDPRSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)C1 ZINC001246610467 804444883 /nfs/dbraw/zinc/44/48/83/804444883.db2.gz AFWFFYJNWXNJMS-OAGGEKHMSA-N 2 1 250.430 3.173 20 0 CGADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246610362 804444899 /nfs/dbraw/zinc/44/48/99/804444899.db2.gz QSGFMUKQHAGYLA-SJORKVTESA-N 2 1 282.472 3.047 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246613748 804446636 /nfs/dbraw/zinc/44/66/36/804446636.db2.gz MDKIQFMXWAGAEY-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246614536 804448335 /nfs/dbraw/zinc/44/83/35/804448335.db2.gz NTEIMJLQIRTCDX-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246614536 804448339 /nfs/dbraw/zinc/44/83/39/804448339.db2.gz NTEIMJLQIRTCDX-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615871 804450379 /nfs/dbraw/zinc/45/03/79/804450379.db2.gz TZMPCCJILDJBRY-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615871 804450383 /nfs/dbraw/zinc/45/03/83/804450383.db2.gz TZMPCCJILDJBRY-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615873 804450854 /nfs/dbraw/zinc/45/08/54/804450854.db2.gz TZMPCCJILDJBRY-YESZJQIVSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615873 804450858 /nfs/dbraw/zinc/45/08/58/804450858.db2.gz TZMPCCJILDJBRY-YESZJQIVSA-N 2 1 282.472 3.188 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246618430 804451821 /nfs/dbraw/zinc/45/18/21/804451821.db2.gz FNBGNILBCIRMAK-ZFWWWQNUSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)C1 ZINC001246619938 804453135 /nfs/dbraw/zinc/45/31/35/804453135.db2.gz PJZYLXXCAGBUOC-FVUVGQSESA-N 2 1 284.447 3.382 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)C1 ZINC001246619938 804453137 /nfs/dbraw/zinc/45/31/37/804453137.db2.gz PJZYLXXCAGBUOC-FVUVGQSESA-N 2 1 284.447 3.382 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001246626282 804456834 /nfs/dbraw/zinc/45/68/34/804456834.db2.gz IKVIOJSQHCJBHM-LZQZEXGQSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC3(CCC[NH2+]3)CC2)C[C@@H](C)C1 ZINC001246625302 804457492 /nfs/dbraw/zinc/45/74/92/804457492.db2.gz PTEWBOUDHAPEFW-FICVDOATSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637754 804465523 /nfs/dbraw/zinc/46/55/23/804465523.db2.gz JEWOWCHNVYRROY-RCCFBDPRSA-N 2 1 272.436 3.224 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637754 804465527 /nfs/dbraw/zinc/46/55/27/804465527.db2.gz JEWOWCHNVYRROY-RCCFBDPRSA-N 2 1 272.436 3.224 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246639540 804467350 /nfs/dbraw/zinc/46/73/50/804467350.db2.gz PAVYGQFYXJECBM-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246640912 804467478 /nfs/dbraw/zinc/46/74/78/804467478.db2.gz HPDCCPKOPMDTGP-OWCLPIDISA-N 2 1 262.441 3.316 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CC(C)(C)C1 ZINC001246641399 804468691 /nfs/dbraw/zinc/46/86/91/804468691.db2.gz YXPMJDGKUFFVMI-CABCVRRESA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C1 ZINC001246642944 804470364 /nfs/dbraw/zinc/47/03/64/804470364.db2.gz FTPXNAYHBVSOEV-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643941 804470760 /nfs/dbraw/zinc/47/07/60/804470760.db2.gz OMGRCBKZGMKGRN-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643941 804470765 /nfs/dbraw/zinc/47/07/65/804470765.db2.gz OMGRCBKZGMKGRN-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc2c(c1)CCC([N@@H+]1CCCC[C@]13CC[NH2+]C3)CC2 ZINC001246645046 804471803 /nfs/dbraw/zinc/47/18/03/804471803.db2.gz AGCQYJINMUOFGS-LJQANCHMSA-N 2 1 284.447 3.152 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C1 ZINC001246644515 804472686 /nfs/dbraw/zinc/47/26/86/804472686.db2.gz JZPGSJRZZJQSMP-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCCC13CC[NH2+]CC3)C2 ZINC001246648126 804475283 /nfs/dbraw/zinc/47/52/83/804475283.db2.gz OOTIBRYYDHDCEY-GOSISDBHSA-N 2 1 298.474 3.460 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246648717 804475510 /nfs/dbraw/zinc/47/55/10/804475510.db2.gz ZAWQZPJZHBFIPC-AWEZNQCLSA-N 2 1 292.854 3.489 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@H]4C[NH2+][C@H]4C3)CC2)cc1 ZINC001246647290 804476010 /nfs/dbraw/zinc/47/60/10/804476010.db2.gz KECUELKQQJHBQC-IKJBURDNSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@H]4C[NH2+][C@H]4C3)CC2)cc1 ZINC001246647290 804476020 /nfs/dbraw/zinc/47/60/20/804476020.db2.gz KECUELKQQJHBQC-IKJBURDNSA-N 2 1 270.420 3.007 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246650986 804478791 /nfs/dbraw/zinc/47/87/91/804478791.db2.gz VKAPFRGWCMYAQE-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140635375 804479220 /nfs/dbraw/zinc/47/92/20/804479220.db2.gz KZRUYGMOFBRDNQ-KGLIPLIRSA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140635375 804479223 /nfs/dbraw/zinc/47/92/23/804479223.db2.gz KZRUYGMOFBRDNQ-KGLIPLIRSA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140635375 804479226 /nfs/dbraw/zinc/47/92/26/804479226.db2.gz KZRUYGMOFBRDNQ-KGLIPLIRSA-N 2 1 286.444 3.285 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246651750 804479281 /nfs/dbraw/zinc/47/92/81/804479281.db2.gz ZDAIZRUUDUTFDO-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+](Cc1cccc2ccncc21)CC1CC[NH+](C)CC1 ZINC001140645097 804483177 /nfs/dbraw/zinc/48/31/77/804483177.db2.gz JUZJGUKSXMVAEK-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246665396 804486628 /nfs/dbraw/zinc/48/66/28/804486628.db2.gz ZORFKVIDUITSPB-IPMKNSEASA-N 2 1 286.463 3.328 20 0 CGADMP CCC(CC)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246674638 804490564 /nfs/dbraw/zinc/49/05/64/804490564.db2.gz VIZMXXBMWPCYET-PKOBYXMFSA-N 2 1 286.463 3.428 20 0 CGADMP CCCC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677378 804491845 /nfs/dbraw/zinc/49/18/45/804491845.db2.gz ICBQMPQUIPDSLL-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001246677925 804492883 /nfs/dbraw/zinc/49/28/83/804492883.db2.gz KZVLXYYXBWHNBC-CABCVRRESA-N 2 1 290.476 3.017 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246682563 804495329 /nfs/dbraw/zinc/49/53/29/804495329.db2.gz WCHXXBUGIKNKOP-OAHLLOKOSA-N 2 1 292.854 3.129 20 0 CGADMP CCC[C@@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246686797 804495677 /nfs/dbraw/zinc/49/56/77/804495677.db2.gz SZWPVHWFQUCTRD-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246685707 804495718 /nfs/dbraw/zinc/49/57/18/804495718.db2.gz AWPVIYJBSCYYHJ-ARFHVFGLSA-N 2 1 268.420 3.145 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246697070 804499467 /nfs/dbraw/zinc/49/94/67/804499467.db2.gz SVHADMHNBBEYFV-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246773380 804503880 /nfs/dbraw/zinc/50/38/80/804503880.db2.gz BUQBEVJMTWUQOJ-SCAQPMJSSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246773621 804504579 /nfs/dbraw/zinc/50/45/79/804504579.db2.gz BVVVPSIVUFGVFK-BPQIPLTHSA-N 2 1 272.436 3.082 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246781178 804507586 /nfs/dbraw/zinc/50/75/86/804507586.db2.gz NRFLMLLRBIOLAJ-UJJTZGENSA-N 2 1 270.420 3.415 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2CCOC)C[C@H](CC)[NH2+]1 ZINC001246780969 804508327 /nfs/dbraw/zinc/50/83/27/804508327.db2.gz CZWYTCHGQCYAEN-VVLHAWIVSA-N 2 1 282.472 3.187 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2cccs2)CC[NH2+]1 ZINC001246780352 804508426 /nfs/dbraw/zinc/50/84/26/804508426.db2.gz BXXSUUUZYWKVRW-ZIAGYGMSSA-N 2 1 266.454 3.491 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2cccs2)CC[NH2+]1 ZINC001246780352 804508432 /nfs/dbraw/zinc/50/84/32/804508432.db2.gz BXXSUUUZYWKVRW-ZIAGYGMSSA-N 2 1 266.454 3.491 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246779911 804508652 /nfs/dbraw/zinc/50/86/52/804508652.db2.gz JPLOPUYHTKLCNO-CXHZTBPHSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@@H+](Cc1ccccc1F)C1CCC2(CC[NH2+]C2)CC1 ZINC001246787451 804511584 /nfs/dbraw/zinc/51/15/84/804511584.db2.gz CWWAGQNIVHFZQE-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246790810 804513656 /nfs/dbraw/zinc/51/36/56/804513656.db2.gz MZCCSWTXCITKCK-QKPAOTATSA-N 2 1 250.430 3.314 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246792766 804515226 /nfs/dbraw/zinc/51/52/26/804515226.db2.gz WTLHPJPBRCZKFZ-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246793940 804516800 /nfs/dbraw/zinc/51/68/00/804516800.db2.gz FCANEEXTTJESJR-SJORKVTESA-N 2 1 274.452 3.328 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246799741 804520983 /nfs/dbraw/zinc/52/09/83/804520983.db2.gz ATPNONWXJJUHDS-QGPMSJSTSA-N 2 1 288.435 3.363 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246799742 804521129 /nfs/dbraw/zinc/52/11/29/804521129.db2.gz ATPNONWXJJUHDS-QILLFSRXSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+](C)CCC1CC[NH2+]CC1)CC2 ZINC001246800200 804521198 /nfs/dbraw/zinc/52/11/98/804521198.db2.gz WJTIFJAFEBKKNO-LJQANCHMSA-N 2 1 286.463 3.174 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001140807294 804523962 /nfs/dbraw/zinc/52/39/62/804523962.db2.gz UHTWPDDDMYEMJV-BLLLJJGKSA-N 2 1 255.365 3.327 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001140807294 804523968 /nfs/dbraw/zinc/52/39/68/804523968.db2.gz UHTWPDDDMYEMJV-BLLLJJGKSA-N 2 1 255.365 3.327 20 0 CGADMP C1CCC2(C1)CC[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246807141 804525619 /nfs/dbraw/zinc/52/56/19/804525619.db2.gz NBPJPRHEAFWCTD-RDJZCZTQSA-N 2 1 262.441 3.175 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246812441 804528036 /nfs/dbraw/zinc/52/80/36/804528036.db2.gz DFMMGCBYXAUAFK-MSOLQXFVSA-N 2 1 274.452 3.246 20 0 CGADMP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246812881 804530216 /nfs/dbraw/zinc/53/02/16/804530216.db2.gz JUVCROWAQOKWEV-BBWFWOEESA-N 2 1 258.409 3.007 20 0 CGADMP C[NH2+][C@@H]1CC[N@H+]([C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246812881 804530223 /nfs/dbraw/zinc/53/02/23/804530223.db2.gz JUVCROWAQOKWEV-BBWFWOEESA-N 2 1 258.409 3.007 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC001246821816 804535506 /nfs/dbraw/zinc/53/55/06/804535506.db2.gz JHOHOIGZYBAYGT-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC001246821816 804535509 /nfs/dbraw/zinc/53/55/09/804535509.db2.gz JHOHOIGZYBAYGT-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2Cc3cccc(F)c3C2)C[C@H](CC)[NH2+]1 ZINC001246825542 804537216 /nfs/dbraw/zinc/53/72/16/804537216.db2.gz VQWFTRHEAIIJEQ-FICVDOATSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2Cc3cccc(F)c3C2)C[C@H](CC)[NH2+]1 ZINC001246825542 804537220 /nfs/dbraw/zinc/53/72/20/804537220.db2.gz VQWFTRHEAIIJEQ-FICVDOATSA-N 2 1 276.399 3.451 20 0 CGADMP C1CC[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246834661 804542048 /nfs/dbraw/zinc/54/20/48/804542048.db2.gz IQZFWTSUTHESPQ-ZOFXXKQRSA-N 2 1 262.441 3.314 20 0 CGADMP C1CC[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246834661 804542056 /nfs/dbraw/zinc/54/20/56/804542056.db2.gz IQZFWTSUTHESPQ-ZOFXXKQRSA-N 2 1 262.441 3.314 20 0 CGADMP CCCCCC[C@@H](C)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246833501 804542713 /nfs/dbraw/zinc/54/27/13/804542713.db2.gz BGNVVSUDBJVECQ-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2cccc(OC)c2)CC[NH2+]1 ZINC001246840413 804547550 /nfs/dbraw/zinc/54/75/50/804547550.db2.gz OEJKMDFGORVMKN-CVEARBPZSA-N 2 1 276.424 3.048 20 0 CGADMP C[N@@H+](CC1CCCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246840166 804548281 /nfs/dbraw/zinc/54/82/81/804548281.db2.gz FPSCPHWOAHLALV-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP C1CC2(C1)C[C@@H]([N@@H+]1CC[C@H]3CCCC[C@H]3C1)CC[NH2+]2 ZINC001246840299 804548406 /nfs/dbraw/zinc/54/84/06/804548406.db2.gz WHZPEUVRHHCURG-PMPSAXMXSA-N 2 1 262.441 3.173 20 0 CGADMP C1CC2(C1)C[C@@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)CC[NH2+]2 ZINC001246840299 804548409 /nfs/dbraw/zinc/54/84/09/804548409.db2.gz WHZPEUVRHHCURG-PMPSAXMXSA-N 2 1 262.441 3.173 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001246841608 804550575 /nfs/dbraw/zinc/55/05/75/804550575.db2.gz NNTOQVILEWNLNE-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001246847200 804556025 /nfs/dbraw/zinc/55/60/25/804556025.db2.gz JMFRTSTWOFASLO-HZPDHXFCSA-N 2 1 262.441 3.031 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246846505 804556444 /nfs/dbraw/zinc/55/64/44/804556444.db2.gz OFLFOGTXLCHPAP-OWCLPIDISA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246861006 804565883 /nfs/dbraw/zinc/56/58/83/804565883.db2.gz IVTFSXKCEWLUPZ-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246861006 804565888 /nfs/dbraw/zinc/56/58/88/804565888.db2.gz IVTFSXKCEWLUPZ-HZPDHXFCSA-N 2 1 294.483 3.188 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246864082 804567153 /nfs/dbraw/zinc/56/71/53/804567153.db2.gz NBLCTNQZBOOTLD-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246862478 804566951 /nfs/dbraw/zinc/56/69/51/804566951.db2.gz ICIBGRWLVIAQBI-VQSBYGRUSA-N 2 1 298.474 3.355 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246864361 804568473 /nfs/dbraw/zinc/56/84/73/804568473.db2.gz UVVYFWAQYZICAC-BJDYSFLHSA-N 2 1 264.457 3.405 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246866521 804569697 /nfs/dbraw/zinc/56/96/97/804569697.db2.gz KSFGWXHCXXNVGW-RDJZCZTQSA-N 2 1 270.420 3.138 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+](Cc2ccco2)C2CC2)CC[NH2+]1 ZINC001246879703 804575984 /nfs/dbraw/zinc/57/59/84/804575984.db2.gz CJEDYBGTJKBNDP-HOCLYGCPSA-N 2 1 276.424 3.411 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+](Cc2ccco2)C2CC2)CC[NH2+]1 ZINC001246879703 804575986 /nfs/dbraw/zinc/57/59/86/804575986.db2.gz CJEDYBGTJKBNDP-HOCLYGCPSA-N 2 1 276.424 3.411 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC(Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001246879496 804576854 /nfs/dbraw/zinc/57/68/54/804576854.db2.gz FDHIWXZMCCGTTB-LTDKPHRXSA-N 2 1 272.436 3.067 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246881779 804577785 /nfs/dbraw/zinc/57/77/85/804577785.db2.gz JBCMWLJAWYZEMP-CQSZACIVSA-N 2 1 278.465 3.492 20 0 CGADMP C[N@@H+]([C@@H]1CC[NH2+]C(C)(C)C1)C(C)(C)Cc1ccccc1 ZINC001246892854 804583331 /nfs/dbraw/zinc/58/33/31/804583331.db2.gz ORWDNOHDUOEXDK-MRXNPFEDSA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246900916 804587797 /nfs/dbraw/zinc/58/77/97/804587797.db2.gz URRJRZHLGYQOTQ-YESZJQIVSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH2+]1 ZINC001246901355 804588578 /nfs/dbraw/zinc/58/85/78/804588578.db2.gz MNDHCVIKQISGAR-HBUWYVDXSA-N 2 1 283.419 3.445 20 0 CGADMP C1CC[C@H]2[C@H](C1)CCC[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246919071 804600661 /nfs/dbraw/zinc/60/06/61/804600661.db2.gz IQZFWTSUTHESPQ-NRKLIOEPSA-N 2 1 262.441 3.314 20 0 CGADMP C1CC[C@H]2[C@H](C1)CCC[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246919071 804600664 /nfs/dbraw/zinc/60/06/64/804600664.db2.gz IQZFWTSUTHESPQ-NRKLIOEPSA-N 2 1 262.441 3.314 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)C2CCc3ccccc3CC2)CC1 ZINC001246918562 804600900 /nfs/dbraw/zinc/60/09/00/804600900.db2.gz LAZDATACSWOPTN-UHFFFAOYSA-N 2 1 286.463 3.396 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246934333 804607117 /nfs/dbraw/zinc/60/71/17/804607117.db2.gz UIVHOTLQCIKCIP-BMFZPTHFSA-N 2 1 292.854 3.202 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935424 804608666 /nfs/dbraw/zinc/60/86/66/804608666.db2.gz VEXMLWITGFFJHT-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937066 804608982 /nfs/dbraw/zinc/60/89/82/804608982.db2.gz YWCHWYHSJUSWCR-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)C[C@H](C)CC(C)C ZINC001246944767 804612922 /nfs/dbraw/zinc/61/29/22/804612922.db2.gz VIZCVUDZGYJDOP-OWCLPIDISA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001246947300 804613655 /nfs/dbraw/zinc/61/36/55/804613655.db2.gz UOJSHKZWSLEWFX-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](C)[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001246955997 804617497 /nfs/dbraw/zinc/61/74/97/804617497.db2.gz PAZPZYIKZOOUJA-GFCCVEGCSA-N 2 1 282.378 3.317 20 0 CGADMP CC[C@@H](C)[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001246955997 804617502 /nfs/dbraw/zinc/61/75/02/804617502.db2.gz PAZPZYIKZOOUJA-GFCCVEGCSA-N 2 1 282.378 3.317 20 0 CGADMP c1ccc(C[N@H+](C2CCC2)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246967073 804620456 /nfs/dbraw/zinc/62/04/56/804620456.db2.gz SUUUVHNSWHQSSA-QGZVFWFLSA-N 2 1 258.409 3.183 20 0 CGADMP c1ccc(C[N@@H+](C2CCC2)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246967073 804620464 /nfs/dbraw/zinc/62/04/64/804620464.db2.gz SUUUVHNSWHQSSA-QGZVFWFLSA-N 2 1 258.409 3.183 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+][C@H](C(C)C)C1)C2 ZINC001246967241 804620554 /nfs/dbraw/zinc/62/05/54/804620554.db2.gz MVHOCBVPVVRDJB-MSOLQXFVSA-N 2 1 272.436 3.130 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CCC=C(C)C ZINC001246978991 804625374 /nfs/dbraw/zinc/62/53/74/804625374.db2.gz YEYIDXRLSCPUBD-HOTGVXAUSA-N 2 1 252.446 3.443 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccccc1F ZINC001246977652 804626361 /nfs/dbraw/zinc/62/63/61/804626361.db2.gz SRVGSQCELNNYHK-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246982664 804627447 /nfs/dbraw/zinc/62/74/47/804627447.db2.gz ZPMOUPWGZGPZDY-UWVGGRQHSA-N 2 1 290.785 3.218 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246982664 804627451 /nfs/dbraw/zinc/62/74/51/804627451.db2.gz ZPMOUPWGZGPZDY-UWVGGRQHSA-N 2 1 290.785 3.218 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2cc(Cl)ccc12 ZINC001141577550 804653546 /nfs/dbraw/zinc/65/35/46/804653546.db2.gz KCQQODOYADETGG-UHFFFAOYSA-N 2 1 279.815 3.205 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2cc(Cl)ccc12 ZINC001141577550 804653549 /nfs/dbraw/zinc/65/35/49/804653549.db2.gz KCQQODOYADETGG-UHFFFAOYSA-N 2 1 279.815 3.205 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001165278522 806985422 /nfs/dbraw/zinc/98/54/22/806985422.db2.gz HIIFEXPVFCAKBC-QAPCUYQASA-N 2 1 287.451 3.255 20 0 CGADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc(C)c1F ZINC001143376910 804842637 /nfs/dbraw/zinc/84/26/37/804842637.db2.gz KILAUVFTHZWJTB-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP COc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]c2ccccc21 ZINC001155028933 805526287 /nfs/dbraw/zinc/52/62/87/805526287.db2.gz DVRKBQHXRFOKDX-UONOGXRCSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001155031173 805527098 /nfs/dbraw/zinc/52/70/98/805527098.db2.gz SPSNCTURPOLSIJ-STQMWFEESA-N 2 1 298.434 3.099 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC001256854972 806992553 /nfs/dbraw/zinc/99/25/53/806992553.db2.gz CCKXQVYGYZRPRW-CVEARBPZSA-N 2 1 287.451 3.418 20 0 CGADMP FC(F)[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256861570 806993801 /nfs/dbraw/zinc/99/38/01/806993801.db2.gz QGGYMCYAPYJELE-ZDUSSCGKSA-N 2 1 295.377 3.028 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC001257222151 807064443 /nfs/dbraw/zinc/06/44/43/807064443.db2.gz UGRUGLVQFSPSDX-HNNXBMFYSA-N 2 1 272.436 3.306 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC001257222151 807064448 /nfs/dbraw/zinc/06/44/48/807064448.db2.gz UGRUGLVQFSPSDX-HNNXBMFYSA-N 2 1 272.436 3.306 20 0 CGADMP CCC[C@H](CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001257261524 807077606 /nfs/dbraw/zinc/07/76/06/807077606.db2.gz WBRYLAMLBYEBHJ-HNNXBMFYSA-N 2 1 292.471 3.118 20 0 CGADMP CCC[C@H](CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001257261524 807077614 /nfs/dbraw/zinc/07/76/14/807077614.db2.gz WBRYLAMLBYEBHJ-HNNXBMFYSA-N 2 1 292.471 3.118 20 0 CGADMP CCC[C@H](CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001257261524 807077622 /nfs/dbraw/zinc/07/76/22/807077622.db2.gz WBRYLAMLBYEBHJ-HNNXBMFYSA-N 2 1 292.471 3.118 20 0 CGADMP CCC[C@H](CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001257261524 807077630 /nfs/dbraw/zinc/07/76/30/807077630.db2.gz WBRYLAMLBYEBHJ-HNNXBMFYSA-N 2 1 292.471 3.118 20 0 CGADMP CCCCCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001257369302 807128284 /nfs/dbraw/zinc/12/82/84/807128284.db2.gz WGGGDEXBYKAZDH-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001257369302 807128285 /nfs/dbraw/zinc/12/82/85/807128285.db2.gz WGGGDEXBYKAZDH-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@@H+](CC[C@H]1CCc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC001167477070 807197076 /nfs/dbraw/zinc/19/70/76/807197076.db2.gz AFVYWHYTBHBATP-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+](CC[C@H]1CCc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC001167477070 807197080 /nfs/dbraw/zinc/19/70/80/807197080.db2.gz AFVYWHYTBHBATP-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+](CC[C@H]1CCc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC001167477070 807197086 /nfs/dbraw/zinc/19/70/86/807197086.db2.gz AFVYWHYTBHBATP-FUHWJXTLSA-N 2 1 286.463 3.380 20 0 CGADMP C[N@@H+](CC[C@H]1CCc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC001167477071 807197274 /nfs/dbraw/zinc/19/72/74/807197274.db2.gz AFVYWHYTBHBATP-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+](CC[C@H]1CCc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC001167477071 807197280 /nfs/dbraw/zinc/19/72/80/807197280.db2.gz AFVYWHYTBHBATP-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+](CC[C@H]1CCc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC001167477071 807197282 /nfs/dbraw/zinc/19/72/82/807197282.db2.gz AFVYWHYTBHBATP-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP CC(C)OC1CCC([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001257882795 807236215 /nfs/dbraw/zinc/23/62/15/807236215.db2.gz BIZHQVQQKLLHGQ-UHFFFAOYSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cccc2c1C[NH2+]CC2 ZINC001167753258 807241807 /nfs/dbraw/zinc/24/18/07/807241807.db2.gz NDBPJRHLBCHNLQ-OAHLLOKOSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2cc[nH]c21 ZINC001167754035 807244243 /nfs/dbraw/zinc/24/42/43/807244243.db2.gz TVPCKNOPEAMGAY-CYBMUJFWSA-N 2 1 272.396 3.239 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2cc[nH]c21 ZINC001167754035 807244248 /nfs/dbraw/zinc/24/42/48/807244248.db2.gz TVPCKNOPEAMGAY-CYBMUJFWSA-N 2 1 272.396 3.239 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC001258005768 807263996 /nfs/dbraw/zinc/26/39/96/807263996.db2.gz WESYSZXTFWJBGP-GOSISDBHSA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)CCOc2ccccc2)CC1 ZINC001258014564 807266483 /nfs/dbraw/zinc/26/64/83/807266483.db2.gz NOBBEMZXWPOPQI-UHFFFAOYSA-N 2 1 290.451 3.118 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001258014278 807267153 /nfs/dbraw/zinc/26/71/53/807267153.db2.gz IAHWDIFADPEMDZ-SFHVURJKSA-N 2 1 287.451 3.339 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001258014278 807267156 /nfs/dbraw/zinc/26/71/56/807267156.db2.gz IAHWDIFADPEMDZ-SFHVURJKSA-N 2 1 287.451 3.339 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC1)C2 ZINC001167953966 807283503 /nfs/dbraw/zinc/28/35/03/807283503.db2.gz YHVMNEICTINFRT-OPVJXMOQSA-N 2 1 296.458 3.308 20 0 CGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC1)C2 ZINC001167953966 807283508 /nfs/dbraw/zinc/28/35/08/807283508.db2.gz YHVMNEICTINFRT-OPVJXMOQSA-N 2 1 296.458 3.308 20 0 CGADMP CC[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995327 807294266 /nfs/dbraw/zinc/29/42/66/807294266.db2.gz ARJCARCKVPLMBT-VPSFDDGASA-N 2 1 262.441 3.266 20 0 CGADMP C[NH+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995699 807295101 /nfs/dbraw/zinc/29/51/01/807295101.db2.gz OJUCXHOJGLLFIB-SJPCQFCGSA-N 2 1 262.441 3.266 20 0 CGADMP FC1(F)C[C@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995695 807295489 /nfs/dbraw/zinc/29/54/89/807295489.db2.gz OHQSTXJXMATKLO-QXULXFAOSA-N 2 1 296.405 3.123 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006376 807299054 /nfs/dbraw/zinc/29/90/54/807299054.db2.gz NPBFACNPYXRQBF-DMHIMHRUSA-N 2 1 272.436 3.426 20 0 CGADMP CC(C)[N@@H+]([C@@H](C)Cc1ccco1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258182528 807346781 /nfs/dbraw/zinc/34/67/81/807346781.db2.gz QYNFINXSJHVMMU-KKUMJFAQSA-N 2 1 264.413 3.191 20 0 CGADMP CC(C)C[N@@H+]([C@@H](C)Cc1ccco1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258183238 807347387 /nfs/dbraw/zinc/34/73/87/807347387.db2.gz KNAUUOQXNGHGOM-JYJNAYRXSA-N 2 1 278.440 3.439 20 0 CGADMP CC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001168203599 807348041 /nfs/dbraw/zinc/34/80/41/807348041.db2.gz XMYJTQSIBZBYHS-WQZDSJPGSA-N 2 1 250.430 3.170 20 0 CGADMP CC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001168203599 807348049 /nfs/dbraw/zinc/34/80/49/807348049.db2.gz XMYJTQSIBZBYHS-WQZDSJPGSA-N 2 1 250.430 3.170 20 0 CGADMP CSCC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258210015 807366864 /nfs/dbraw/zinc/36/68/64/807366864.db2.gz YNGZDIFQRUOICU-IHRRRGAJSA-N 2 1 258.475 3.108 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001168324188 807383296 /nfs/dbraw/zinc/38/32/96/807383296.db2.gz JCVXVQFBABRFCK-SLTXQBBLSA-N 2 1 250.430 3.124 20 0 CGADMP FC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001168351307 807390504 /nfs/dbraw/zinc/39/05/04/807390504.db2.gz PXWRDJXBROKOIG-UHFFFAOYSA-N 2 1 268.420 3.123 20 0 CGADMP C[N@@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](CC2CC2)CC1 ZINC001168398813 807404560 /nfs/dbraw/zinc/40/45/60/807404560.db2.gz WBFGVYUMYMLFCN-LJQANCHMSA-N 2 1 284.447 3.480 20 0 CGADMP CC[C@H](C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1)OC ZINC001168414742 807409246 /nfs/dbraw/zinc/40/92/46/807409246.db2.gz SKPOKOUGXIPZCP-GOSISDBHSA-N 2 1 298.515 3.491 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001168464690 807425243 /nfs/dbraw/zinc/42/52/43/807425243.db2.gz JYVJUHVMRCRCKL-PILAGYSTSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001168464690 807425251 /nfs/dbraw/zinc/42/52/51/807425251.db2.gz JYVJUHVMRCRCKL-PILAGYSTSA-N 2 1 290.426 3.362 20 0 CGADMP CCC(CC)[N@@H+]([C@H](C)CCC(=O)OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258357220 807426547 /nfs/dbraw/zinc/42/65/47/807426547.db2.gz HLEHXYQPWXFSOK-IIAWOOMASA-N 2 1 298.471 3.089 20 0 CGADMP CC[C@H](C)C[C@@H](C)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168692461 807483365 /nfs/dbraw/zinc/48/33/65/807483365.db2.gz YQRLCWLAYFVMOW-QWHCGFSZSA-N 2 1 286.423 3.258 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001258599815 807498976 /nfs/dbraw/zinc/49/89/76/807498976.db2.gz JIBFLYYXIMAKHK-RBSFLKMASA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](Cc1cccnc1)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001258615231 807510918 /nfs/dbraw/zinc/51/09/18/807510918.db2.gz FWQLSCSZQGQRRV-DLBZAZTESA-N 2 1 297.446 3.110 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258663597 807531839 /nfs/dbraw/zinc/53/18/39/807531839.db2.gz VEQZWUOOCMRZGD-QGZVFWFLSA-N 2 1 283.419 3.153 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258663597 807531843 /nfs/dbraw/zinc/53/18/43/807531843.db2.gz VEQZWUOOCMRZGD-QGZVFWFLSA-N 2 1 283.419 3.153 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001258686747 807543728 /nfs/dbraw/zinc/54/37/28/807543728.db2.gz JJCQDYDHRLPMNA-GVRJEKJASA-N 2 1 264.457 3.416 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101212 807579419 /nfs/dbraw/zinc/57/94/19/807579419.db2.gz PGJGATIPFDRWCC-KYHPRHEASA-N 2 1 299.462 3.220 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3)CC1)C2 ZINC001169115753 807580885 /nfs/dbraw/zinc/58/08/85/807580885.db2.gz OGEZSICSBVIQMH-NNZMDNLPSA-N 2 1 284.447 3.224 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC1CC1)C2 ZINC001169119111 807582505 /nfs/dbraw/zinc/58/25/05/807582505.db2.gz QWKCQAZSUVMTHQ-QDMKHBRRSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cncc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001169123328 807582739 /nfs/dbraw/zinc/58/27/39/807582739.db2.gz JJCYABJKAJCUDD-FJIDUMEYSA-N 2 1 285.435 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001169124813 807585436 /nfs/dbraw/zinc/58/54/36/807585436.db2.gz UGXTYTPDFVTONV-NXOAAHMSSA-N 2 1 290.838 3.022 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141450 807588426 /nfs/dbraw/zinc/58/84/26/807588426.db2.gz QNOCENJGTBCCAY-LVQVYYBASA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141450 807588429 /nfs/dbraw/zinc/58/84/29/807588429.db2.gz QNOCENJGTBCCAY-LVQVYYBASA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141450 807588432 /nfs/dbraw/zinc/58/84/32/807588432.db2.gz QNOCENJGTBCCAY-LVQVYYBASA-N 2 1 288.410 3.240 20 0 CGADMP Cc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169138650 807588745 /nfs/dbraw/zinc/58/87/45/807588745.db2.gz RXXZFQAUNYSLMN-CZUORRHYSA-N 2 1 261.413 3.346 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142623 807590348 /nfs/dbraw/zinc/59/03/48/807590348.db2.gz DRSKQWRIBOLRMO-FVQHAEBGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142623 807590352 /nfs/dbraw/zinc/59/03/52/807590352.db2.gz DRSKQWRIBOLRMO-FVQHAEBGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142623 807590358 /nfs/dbraw/zinc/59/03/58/807590358.db2.gz DRSKQWRIBOLRMO-FVQHAEBGSA-N 2 1 292.854 3.440 20 0 CGADMP C[N@@H+](Cc1cccc2cccnc21)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143211 807590487 /nfs/dbraw/zinc/59/04/87/807590487.db2.gz YYWROMJOIBKVOR-PIIMJCKOSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143211 807590494 /nfs/dbraw/zinc/59/04/94/807590494.db2.gz YYWROMJOIBKVOR-PIIMJCKOSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143211 807590500 /nfs/dbraw/zinc/59/05/00/807590500.db2.gz YYWROMJOIBKVOR-PIIMJCKOSA-N 2 1 295.430 3.292 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001169142809 807590914 /nfs/dbraw/zinc/59/09/14/807590914.db2.gz WCQKTKWUCLXRBS-YRXWBPOGSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001169142809 807590917 /nfs/dbraw/zinc/59/09/17/807590917.db2.gz WCQKTKWUCLXRBS-YRXWBPOGSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001169142809 807590919 /nfs/dbraw/zinc/59/09/19/807590919.db2.gz WCQKTKWUCLXRBS-YRXWBPOGSA-N 2 1 284.447 3.491 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142599 807591251 /nfs/dbraw/zinc/59/12/51/807591251.db2.gz DJPIIIOCCAFHHS-ZSHCYNCHSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccccc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142599 807591254 /nfs/dbraw/zinc/59/12/54/807591254.db2.gz DJPIIIOCCAFHHS-ZSHCYNCHSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccccc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142599 807591256 /nfs/dbraw/zinc/59/12/56/807591256.db2.gz DJPIIIOCCAFHHS-ZSHCYNCHSA-N 2 1 292.854 3.440 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H]1c1ccccc1)C2 ZINC001169147476 807593057 /nfs/dbraw/zinc/59/30/57/807593057.db2.gz UFNYIIVPDKAZNT-YYIAUSFCSA-N 2 1 256.393 3.059 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H]1c1ccccc1)C2 ZINC001169147476 807593060 /nfs/dbraw/zinc/59/30/60/807593060.db2.gz UFNYIIVPDKAZNT-YYIAUSFCSA-N 2 1 256.393 3.059 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H]1c1ccccc1)C2 ZINC001169147476 807593062 /nfs/dbraw/zinc/59/30/62/807593062.db2.gz UFNYIIVPDKAZNT-YYIAUSFCSA-N 2 1 256.393 3.059 20 0 CGADMP CC1(C)C[C@@H](Nc2cccn3cc[nH+]c23)C[C@@](C)(C[NH3+])C1 ZINC001169149122 807594617 /nfs/dbraw/zinc/59/46/17/807594617.db2.gz YCWXGWPKHXXYGB-CXAGYDPISA-N 2 1 286.423 3.290 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001169264561 807618036 /nfs/dbraw/zinc/61/80/36/807618036.db2.gz IEGUAXOTBFXJDI-OAHLLOKOSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001169264561 807618041 /nfs/dbraw/zinc/61/80/41/807618041.db2.gz IEGUAXOTBFXJDI-OAHLLOKOSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001169264560 807618325 /nfs/dbraw/zinc/61/83/25/807618325.db2.gz IEGUAXOTBFXJDI-HNNXBMFYSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001169264560 807618326 /nfs/dbraw/zinc/61/83/26/807618326.db2.gz IEGUAXOTBFXJDI-HNNXBMFYSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001258899756 807668821 /nfs/dbraw/zinc/66/88/21/807668821.db2.gz QIDPYKYWFZTABG-MSOLQXFVSA-N 3 1 297.531 3.351 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001258908175 807672093 /nfs/dbraw/zinc/67/20/93/807672093.db2.gz WPGYWFAOCZJEEA-MSOLQXFVSA-N 3 1 297.531 3.338 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@H](F)C1 ZINC001258907975 807672209 /nfs/dbraw/zinc/67/22/09/807672209.db2.gz PGKMEHQDCFODTC-CABCVRRESA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001258906975 807672649 /nfs/dbraw/zinc/67/26/49/807672649.db2.gz CJRSFVNNSVMSNE-OLZOCXBDSA-N 2 1 280.378 3.176 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC001261254982 807720857 /nfs/dbraw/zinc/72/08/57/807720857.db2.gz IQEOCTWQGOYUCE-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170117357 807763816 /nfs/dbraw/zinc/76/38/16/807763816.db2.gz KPTXMUFIHJOFIA-DARAHFNDSA-N 2 1 250.430 3.299 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192157 807790004 /nfs/dbraw/zinc/79/00/04/807790004.db2.gz JBVKEOVXHCFOBH-QAETUUGQSA-N 2 1 282.472 3.172 20 0 CGADMP c1ccc(C[C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001262162264 807831166 /nfs/dbraw/zinc/83/11/66/807831166.db2.gz JLNCEOHWYJLJAN-QBUWPKIASA-N 2 1 284.447 3.082 20 0 CGADMP CCCCCC[C@@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001170589907 807861622 /nfs/dbraw/zinc/86/16/22/807861622.db2.gz CQGQTYDFTTZQHN-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@H](CCC[NH3+])C3)C[C@@H]21 ZINC001170736252 807893895 /nfs/dbraw/zinc/89/38/95/807893895.db2.gz IYPUMFLJOBKLRW-FPCVCCKLSA-N 2 1 264.457 3.262 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2cccc(F)c2C1 ZINC001171004494 807957785 /nfs/dbraw/zinc/95/77/85/807957785.db2.gz GDGXLWJTCORDRE-INIZCTEOSA-N 2 1 292.442 3.347 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171018259 807961120 /nfs/dbraw/zinc/96/11/20/807961120.db2.gz QIXRVIAXJHYLCM-CABCVRRESA-N 2 1 292.854 3.271 20 0 CGADMP Cn1ccc2c1[nH+]ccc2-n1c(CC[NH3+])cc2ccccc21 ZINC001171303851 808022514 /nfs/dbraw/zinc/02/25/14/808022514.db2.gz DRSNWGZZHFYYNX-UHFFFAOYSA-N 2 1 290.370 3.018 20 0 CGADMP C[N@@H+](CCc1ccncc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638457 808110727 /nfs/dbraw/zinc/11/07/27/808110727.db2.gz YKTYWGVTJOYFDO-UHFFFAOYSA-N 2 1 289.467 3.207 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+](CCC[NH3+])C(C)C)cc1 ZINC001171657282 808112620 /nfs/dbraw/zinc/11/26/20/808112620.db2.gz DGTDSFSXIBVLCJ-INIZCTEOSA-N 2 1 262.441 3.375 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H](N[C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171785291 808139258 /nfs/dbraw/zinc/13/92/58/808139258.db2.gz LXBWQGXXNWDYSK-LSDHHAIUSA-N 2 1 290.426 3.145 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171785291 808139262 /nfs/dbraw/zinc/13/92/62/808139262.db2.gz LXBWQGXXNWDYSK-LSDHHAIUSA-N 2 1 290.426 3.145 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171785291 808139269 /nfs/dbraw/zinc/13/92/69/808139269.db2.gz LXBWQGXXNWDYSK-LSDHHAIUSA-N 2 1 290.426 3.145 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171785291 808139273 /nfs/dbraw/zinc/13/92/73/808139273.db2.gz LXBWQGXXNWDYSK-LSDHHAIUSA-N 2 1 290.426 3.145 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001171959201 808160031 /nfs/dbraw/zinc/16/00/31/808160031.db2.gz SHQGIBDTWMSUSW-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001171959201 808160035 /nfs/dbraw/zinc/16/00/35/808160035.db2.gz SHQGIBDTWMSUSW-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP COC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965203 808161325 /nfs/dbraw/zinc/16/13/25/808161325.db2.gz OWJHLMNSPVFETO-RDJZCZTQSA-N 2 1 290.451 3.054 20 0 CGADMP CC1(C)C[C@@H]([NH+]2C[C@@H]3C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171978648 808163817 /nfs/dbraw/zinc/16/38/17/808163817.db2.gz AQZIEMXEJXWITE-KSZLIROESA-N 2 1 284.447 3.381 20 0 CGADMP CC1(C)C[C@@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171978648 808163821 /nfs/dbraw/zinc/16/38/21/808163821.db2.gz AQZIEMXEJXWITE-KSZLIROESA-N 2 1 284.447 3.381 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2C[C@@H]3C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171978648 808163825 /nfs/dbraw/zinc/16/38/25/808163825.db2.gz AQZIEMXEJXWITE-KSZLIROESA-N 2 1 284.447 3.381 20 0 CGADMP CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064049 808170978 /nfs/dbraw/zinc/17/09/78/808170978.db2.gz DXWGLSBFZSCFPV-BJWYYQGGSA-N 2 1 258.409 3.182 20 0 CGADMP Cc1ccc(C)c(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172099803 808171523 /nfs/dbraw/zinc/17/15/23/808171523.db2.gz KLLQPCLMGIXQMH-LDLYASANSA-N 2 1 286.463 3.451 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172103479 808175146 /nfs/dbraw/zinc/17/51/46/808175146.db2.gz UVTZLRMGNKKNKM-BJWYYQGGSA-N 2 1 288.435 3.190 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC001172107434 808175580 /nfs/dbraw/zinc/17/55/80/808175580.db2.gz XKUBCSDLRZUJRH-QCEMKRCNSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC001172107434 808175584 /nfs/dbraw/zinc/17/55/84/808175584.db2.gz XKUBCSDLRZUJRH-QCEMKRCNSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C2 ZINC001172107780 808176984 /nfs/dbraw/zinc/17/69/84/808176984.db2.gz CDQWAERMJFXMKC-TUVASFSCSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C2 ZINC001172107780 808176987 /nfs/dbraw/zinc/17/69/87/808176987.db2.gz CDQWAERMJFXMKC-TUVASFSCSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C1)C2 ZINC001172110582 808178011 /nfs/dbraw/zinc/17/80/11/808178011.db2.gz KSXBBHOVBQWTSZ-FPCVCCKLSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1ccncc1)C2 ZINC001172110938 808178092 /nfs/dbraw/zinc/17/80/92/808178092.db2.gz MCIIBXVOYPTCGR-BJWYYQGGSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1ccncc1)C2 ZINC001172110938 808178097 /nfs/dbraw/zinc/17/80/97/808178097.db2.gz MCIIBXVOYPTCGR-BJWYYQGGSA-N 2 1 287.451 3.008 20 0 CGADMP Cc1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172109494 808178488 /nfs/dbraw/zinc/17/84/88/808178488.db2.gz DKJGFPJHUCWARU-REPLKXPHSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172109494 808178491 /nfs/dbraw/zinc/17/84/91/808178491.db2.gz DKJGFPJHUCWARU-REPLKXPHSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172109494 808178494 /nfs/dbraw/zinc/17/84/94/808178494.db2.gz DKJGFPJHUCWARU-REPLKXPHSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1cnccc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112508 808179361 /nfs/dbraw/zinc/17/93/61/808179361.db2.gz WQCUXQSEZAGAGE-SFNKJDCFSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cnccc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112508 808179363 /nfs/dbraw/zinc/17/93/63/808179363.db2.gz WQCUXQSEZAGAGE-SFNKJDCFSA-N 2 1 299.462 3.446 20 0 CGADMP CCC[N@H+](CC(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127216 808185744 /nfs/dbraw/zinc/18/57/44/808185744.db2.gz HSFDIMWHSREAGW-ZSHCYNCHSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[N@@H+](CC(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127216 808185746 /nfs/dbraw/zinc/18/57/46/808185746.db2.gz HSFDIMWHSREAGW-ZSHCYNCHSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[NH+](CC(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127216 808185749 /nfs/dbraw/zinc/18/57/49/808185749.db2.gz HSFDIMWHSREAGW-ZSHCYNCHSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[NH+](CC(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127216 808185751 /nfs/dbraw/zinc/18/57/51/808185751.db2.gz HSFDIMWHSREAGW-ZSHCYNCHSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172341525 808241617 /nfs/dbraw/zinc/24/16/17/808241617.db2.gz GVEZHEDIMBSZLT-HHARLNAUSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172341525 808241621 /nfs/dbraw/zinc/24/16/21/808241621.db2.gz GVEZHEDIMBSZLT-HHARLNAUSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001172343488 808243068 /nfs/dbraw/zinc/24/30/68/808243068.db2.gz RWSALMLXEDZTCC-JKSUJKDBSA-N 2 1 284.488 3.386 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001172367255 808261917 /nfs/dbraw/zinc/26/19/17/808261917.db2.gz KVEACMOBCXWVTB-KWRZAIAESA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172367255 808261921 /nfs/dbraw/zinc/26/19/21/808261921.db2.gz KVEACMOBCXWVTB-KWRZAIAESA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172842555 808457596 /nfs/dbraw/zinc/45/75/96/808457596.db2.gz RGBRTBDKUPTHCA-QWHCGFSZSA-N 2 1 298.833 3.484 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001172926786 808484947 /nfs/dbraw/zinc/48/49/47/808484947.db2.gz SJXQVCNEOFOAOP-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001172926786 808484949 /nfs/dbraw/zinc/48/49/49/808484949.db2.gz SJXQVCNEOFOAOP-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039153 808497419 /nfs/dbraw/zinc/49/74/19/808497419.db2.gz FNVMAJBZFWGGDI-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039153 808497422 /nfs/dbraw/zinc/49/74/22/808497422.db2.gz FNVMAJBZFWGGDI-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173105050 808510822 /nfs/dbraw/zinc/51/08/22/808510822.db2.gz OQGVPYHGDOPNMF-UHFFFAOYSA-N 3 1 297.531 3.351 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173105050 808510827 /nfs/dbraw/zinc/51/08/27/808510827.db2.gz OQGVPYHGDOPNMF-UHFFFAOYSA-N 3 1 297.531 3.351 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001173109959 808511666 /nfs/dbraw/zinc/51/16/66/808511666.db2.gz MCKVHQJMQDGVPO-PPWQZUPISA-N 2 1 274.399 3.021 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](C)C2)CC1 ZINC001173108971 808512149 /nfs/dbraw/zinc/51/21/49/808512149.db2.gz USWAHOFCRYWIFZ-FHERZECASA-N 2 1 252.446 3.371 20 0 CGADMP CCN(CC)CC[N@@H+](CC)C1CCC([NH+](CC)CC)CC1 ZINC001173112656 808513365 /nfs/dbraw/zinc/51/33/65/808513365.db2.gz YUPRHZBFUUDPHU-UHFFFAOYSA-N 2 1 297.531 3.303 20 0 CGADMP CC[C@H]1CC[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001173276198 808578956 /nfs/dbraw/zinc/57/89/56/808578956.db2.gz UNZHKXCYPNRMGJ-LSDHHAIUSA-N 3 1 283.504 3.040 20 0 CGADMP CC[NH+](CC)c1ccc(Nc2cc[nH+]cc2)c(C)c1 ZINC001173883423 808738091 /nfs/dbraw/zinc/73/80/91/808738091.db2.gz OXUIYUWYOHZVTB-UHFFFAOYSA-N 2 1 255.365 3.402 20 0 CGADMP C[NH+](C)Cc1ccccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001173927661 808767202 /nfs/dbraw/zinc/76/72/02/808767202.db2.gz MERVTKRRQWBFGV-UHFFFAOYSA-N 2 1 295.308 3.328 20 0 CGADMP C[NH+](C)Cc1ccccc1Nc1c[nH+]c2ccccn12 ZINC001173929778 808768505 /nfs/dbraw/zinc/76/85/05/808768505.db2.gz XCINOXCXEKPVIS-UHFFFAOYSA-N 2 1 266.348 3.140 20 0 CGADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001275955923 808979914 /nfs/dbraw/zinc/97/99/14/808979914.db2.gz AEEOAUOLDHBVAL-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cccnc2s1 ZINC001276478325 809012654 /nfs/dbraw/zinc/01/26/54/809012654.db2.gz VEPJBTFWFFOZJU-AGUYFDCRSA-N 2 1 287.432 3.011 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cccnc2s1 ZINC001276478325 809012662 /nfs/dbraw/zinc/01/26/62/809012662.db2.gz VEPJBTFWFFOZJU-AGUYFDCRSA-N 2 1 287.432 3.011 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276593331 809019480 /nfs/dbraw/zinc/01/94/80/809019480.db2.gz HSMGFKPVEYSQRC-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276593331 809019489 /nfs/dbraw/zinc/01/94/89/809019489.db2.gz HSMGFKPVEYSQRC-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276593331 809019495 /nfs/dbraw/zinc/01/94/95/809019495.db2.gz HSMGFKPVEYSQRC-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646937 809023518 /nfs/dbraw/zinc/02/35/18/809023518.db2.gz QQENTOBXEHBTPM-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646937 809023522 /nfs/dbraw/zinc/02/35/22/809023522.db2.gz QQENTOBXEHBTPM-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646937 809023531 /nfs/dbraw/zinc/02/35/31/809023531.db2.gz QQENTOBXEHBTPM-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1cccc(F)c1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276688938 809024558 /nfs/dbraw/zinc/02/45/58/809024558.db2.gz VMKBGPXMNDVMGB-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccnc(N2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001277679427 809089128 /nfs/dbraw/zinc/08/91/28/809089128.db2.gz DQMGGFBZJYKXFM-CALCHBBNSA-N 2 1 299.462 3.481 20 0 CGADMP Cc1cc[nH+]c(N2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001277679427 809089133 /nfs/dbraw/zinc/08/91/33/809089133.db2.gz DQMGGFBZJYKXFM-CALCHBBNSA-N 2 1 299.462 3.481 20 0 CGADMP Cc1cc[nH+]c(N2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001277679427 809089135 /nfs/dbraw/zinc/08/91/35/809089135.db2.gz DQMGGFBZJYKXFM-CALCHBBNSA-N 2 1 299.462 3.481 20 0 CGADMP Cc1ccc(CC[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1 ZINC001278067539 809113914 /nfs/dbraw/zinc/11/39/14/809113914.db2.gz QKKACOZRNFJAOQ-UHFFFAOYSA-N 2 1 286.463 3.345 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(COC)CC1 ZINC001177743817 809818725 /nfs/dbraw/zinc/81/87/25/809818725.db2.gz OFPDEOSDWHGOJM-DAWZGUTISA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(COC)CC1 ZINC001177743817 809818729 /nfs/dbraw/zinc/81/87/29/809818729.db2.gz OFPDEOSDWHGOJM-DAWZGUTISA-N 2 1 296.499 3.436 20 0 CGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC001177949424 809834572 /nfs/dbraw/zinc/83/45/72/809834572.db2.gz QLXUTEXCPAHBEF-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC001180072269 809970739 /nfs/dbraw/zinc/97/07/39/809970739.db2.gz PDTXWJHWSCITOT-MRXNPFEDSA-N 2 1 274.452 3.454 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001182910835 810130779 /nfs/dbraw/zinc/13/07/79/810130779.db2.gz QYEBDUFRAVXALM-SJORKVTESA-N 2 1 286.463 3.113 20 0 CGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)CC(C)(C)C ZINC001192358776 810790813 /nfs/dbraw/zinc/79/08/13/810790813.db2.gz OESZMWKRNSJKDC-YLFCFFPRSA-N 2 1 296.499 3.242 20 0 CGADMP CCc1ccccc1CC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001196630980 811356304 /nfs/dbraw/zinc/35/63/04/811356304.db2.gz BZVNOSVZSLFYMK-KDURUIRLSA-N 2 1 286.463 3.065 20 0 CGADMP CCc1ccccc1CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001196630980 811356331 /nfs/dbraw/zinc/35/63/31/811356331.db2.gz BZVNOSVZSLFYMK-KDURUIRLSA-N 2 1 286.463 3.065 20 0 CGADMP CCc1ccccc1CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001196630980 811356339 /nfs/dbraw/zinc/35/63/39/811356339.db2.gz BZVNOSVZSLFYMK-KDURUIRLSA-N 2 1 286.463 3.065 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)(C)C ZINC001200412738 811688342 /nfs/dbraw/zinc/68/83/42/811688342.db2.gz RDACCADVDDFRLG-HNNXBMFYSA-N 2 1 284.394 3.421 20 0 CGADMP CC(C)CC(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001200931802 811768663 /nfs/dbraw/zinc/76/86/63/811768663.db2.gz DVKXEBVOIRQNKQ-UHFFFAOYSA-N 2 1 263.429 3.310 20 0 CGADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001201511383 811877158 /nfs/dbraw/zinc/87/71/58/811877158.db2.gz LDCMOWZDSZMBTD-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C)C1 ZINC001201558204 811903267 /nfs/dbraw/zinc/90/32/67/811903267.db2.gz QXXOIMAXTGXHRO-XHSDSOJGSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001201580937 811911955 /nfs/dbraw/zinc/91/19/55/811911955.db2.gz LNEZESHKAJTCRX-IMJJTQAJSA-N 2 1 278.465 3.300 20 0 CGADMP CC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001201580937 811911963 /nfs/dbraw/zinc/91/19/63/811911963.db2.gz LNEZESHKAJTCRX-IMJJTQAJSA-N 2 1 278.465 3.300 20 0 CGADMP CC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001201580937 811911969 /nfs/dbraw/zinc/91/19/69/811911969.db2.gz LNEZESHKAJTCRX-IMJJTQAJSA-N 2 1 278.465 3.300 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201671182 811932845 /nfs/dbraw/zinc/93/28/45/811932845.db2.gz AJPIAEYGQYBIEX-UHFFFAOYSA-N 2 1 272.436 3.178 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201671182 811932851 /nfs/dbraw/zinc/93/28/51/811932851.db2.gz AJPIAEYGQYBIEX-UHFFFAOYSA-N 2 1 272.436 3.178 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001202656058 812147458 /nfs/dbraw/zinc/14/74/58/812147458.db2.gz QRWNDEUMHXPBGP-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001202656058 812147463 /nfs/dbraw/zinc/14/74/63/812147463.db2.gz QRWNDEUMHXPBGP-JONQDZQNSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001202655149 812147585 /nfs/dbraw/zinc/14/75/85/812147585.db2.gz KJMXKIZIIDCDSM-KKUMJFAQSA-N 2 1 272.502 3.371 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001202655149 812147588 /nfs/dbraw/zinc/14/75/88/812147588.db2.gz KJMXKIZIIDCDSM-KKUMJFAQSA-N 2 1 272.502 3.371 20 0 CGADMP CCc1nc(C)c(CN2CC[C@@H](OCc3ccccc3)C2)[nH]1 ZINC001203242417 812277733 /nfs/dbraw/zinc/27/77/33/812277733.db2.gz AKAZYTNJQMFIJC-MRXNPFEDSA-N 2 1 299.418 3.072 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)[NH+](C)C ZINC001203269797 812285805 /nfs/dbraw/zinc/28/58/05/812285805.db2.gz DHILZBJURLXGLP-CQSZACIVSA-N 2 1 290.451 3.220 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001204356519 812619900 /nfs/dbraw/zinc/61/99/00/812619900.db2.gz AHSXVFVQEBWXPF-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001204356519 812619903 /nfs/dbraw/zinc/61/99/03/812619903.db2.gz AHSXVFVQEBWXPF-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001204513520 812663691 /nfs/dbraw/zinc/66/36/91/812663691.db2.gz IAYDVTTVOLMFEV-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CC(C)C[NH+](CC(C)C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204611588 812690449 /nfs/dbraw/zinc/69/04/49/812690449.db2.gz VVERGWPUELUNRT-ZIAGYGMSSA-N 2 1 276.415 3.091 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204741822 812722485 /nfs/dbraw/zinc/72/24/85/812722485.db2.gz CKNFRHSVACPREY-UHFFFAOYSA-N 2 1 294.389 3.239 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204877391 812759830 /nfs/dbraw/zinc/75/98/30/812759830.db2.gz IGMUBPCDMASGRU-GJZGRUSLSA-N 2 1 270.461 3.031 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204877391 812759833 /nfs/dbraw/zinc/75/98/33/812759833.db2.gz IGMUBPCDMASGRU-GJZGRUSLSA-N 2 1 270.461 3.031 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2(c3ccccc3)CCCC2)C1 ZINC001205001335 812818777 /nfs/dbraw/zinc/81/87/77/812818777.db2.gz QATFJJGPRMCGFY-KRWDZBQOSA-N 2 1 286.463 3.430 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc2ccccc2s1 ZINC001205063841 812842677 /nfs/dbraw/zinc/84/26/77/812842677.db2.gz DDEXDZUFIKHIDU-AAEUAGOBSA-N 2 1 260.406 3.213 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc2ccccc2s1 ZINC001205063841 812842686 /nfs/dbraw/zinc/84/26/86/812842686.db2.gz DDEXDZUFIKHIDU-AAEUAGOBSA-N 2 1 260.406 3.213 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC001205064592 812843892 /nfs/dbraw/zinc/84/38/92/812843892.db2.gz SAEMQTFURZQPPA-KSSFIOAISA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC001205064592 812843900 /nfs/dbraw/zinc/84/39/00/812843900.db2.gz SAEMQTFURZQPPA-KSSFIOAISA-N 2 1 281.403 3.060 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001205077615 812850640 /nfs/dbraw/zinc/85/06/40/812850640.db2.gz PURBBJJQDZETAL-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001205110637 812870251 /nfs/dbraw/zinc/87/02/51/812870251.db2.gz XKXCWLCQYRDVFU-SFHVURJKSA-N 2 1 281.403 3.062 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001205109883 812870565 /nfs/dbraw/zinc/87/05/65/812870565.db2.gz MBRMOKGBNKVNAF-GFCCVEGCSA-N 2 1 277.799 3.135 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001205110603 812870770 /nfs/dbraw/zinc/87/07/70/812870770.db2.gz WWTDVWIFAZBPQA-QGZVFWFLSA-N 2 1 299.393 3.201 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccsc3)c2)C[C@H]1C[NH3+] ZINC001205140123 812884371 /nfs/dbraw/zinc/88/43/71/812884371.db2.gz AHOHLGQRUDOTGI-SUMWQHHRSA-N 2 1 286.444 3.442 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205145712 812885707 /nfs/dbraw/zinc/88/57/07/812885707.db2.gz CAFTZDHXZKANMJ-WMLDXEAASA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001205164699 812894571 /nfs/dbraw/zinc/89/45/71/812894571.db2.gz ORGCWXDCJNGDCX-OAHLLOKOSA-N 2 1 292.426 3.452 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)c1 ZINC001205265637 812921476 /nfs/dbraw/zinc/92/14/76/812921476.db2.gz QFRDRRPUIUHYAW-QGZVFWFLSA-N 2 1 276.424 3.097 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205274541 812925809 /nfs/dbraw/zinc/92/58/09/812925809.db2.gz XLRFFPSSKBNHSY-MRXNPFEDSA-N 2 1 296.842 3.442 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205274541 812925811 /nfs/dbraw/zinc/92/58/11/812925811.db2.gz XLRFFPSSKBNHSY-MRXNPFEDSA-N 2 1 296.842 3.442 20 0 CGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccn1 ZINC001205281926 812929807 /nfs/dbraw/zinc/92/98/07/812929807.db2.gz ZPVMIYWTQCCNQN-QGZVFWFLSA-N 2 1 275.440 3.082 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001205296405 812937701 /nfs/dbraw/zinc/93/77/01/812937701.db2.gz OKRNVZJNBJCEAT-QGZVFWFLSA-N 2 1 276.399 3.406 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c3ccoc3ccc2F)CC1 ZINC001205296346 812938441 /nfs/dbraw/zinc/93/84/41/812938441.db2.gz MYHRUHAJVIBLHR-INIZCTEOSA-N 2 1 276.355 3.275 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303958 812941851 /nfs/dbraw/zinc/94/18/51/812941851.db2.gz LRFTYBUDFRGIKC-WCQYABFASA-N 2 1 289.398 3.032 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c(C)c1C ZINC001205331022 812959467 /nfs/dbraw/zinc/95/94/67/812959467.db2.gz CPPPZPGFTOJTMN-LBPRGKRZSA-N 2 1 274.452 3.413 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205332325 812959533 /nfs/dbraw/zinc/95/95/33/812959533.db2.gz OMTYALFYCLFDLV-OAHLLOKOSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205332325 812959536 /nfs/dbraw/zinc/95/95/36/812959536.db2.gz OMTYALFYCLFDLV-OAHLLOKOSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205333300 812960517 /nfs/dbraw/zinc/96/05/17/812960517.db2.gz ZQMMZYXQKFZJPR-LBPRGKRZSA-N 2 1 289.810 3.072 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205333300 812960522 /nfs/dbraw/zinc/96/05/22/812960522.db2.gz ZQMMZYXQKFZJPR-LBPRGKRZSA-N 2 1 289.810 3.072 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2csc(Cl)c2)CC1 ZINC001205571614 813008408 /nfs/dbraw/zinc/00/84/08/813008408.db2.gz WFHUDQUJBVQSCI-GFCCVEGCSA-N 2 1 276.808 3.054 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc3occc32)CC1 ZINC001205578446 813010336 /nfs/dbraw/zinc/01/03/36/813010336.db2.gz CDAJLEPHTIUIJR-INIZCTEOSA-N 2 1 276.355 3.086 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc3cccccc2-3)CC1 ZINC001205591010 813014189 /nfs/dbraw/zinc/01/41/89/813014189.db2.gz BGEMQQKQBUJMOR-GOSISDBHSA-N 2 1 286.394 3.444 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)CC[C@@H]1C[NH3+] ZINC001205601961 813017436 /nfs/dbraw/zinc/01/74/36/813017436.db2.gz HEROAGWYNRFSMC-GOEBONIOSA-N 2 1 299.418 3.148 20 0 CGADMP C[C@H]1CC[N@@H+](CCCCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205600076 813018506 /nfs/dbraw/zinc/01/85/06/813018506.db2.gz BFXGGZIQYAITEU-FUHWJXTLSA-N 2 1 274.452 3.316 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205603948 813019361 /nfs/dbraw/zinc/01/93/61/813019361.db2.gz SOWHEFDYEMQZAI-WBVHZDCISA-N 2 1 290.451 3.281 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205617459 813026070 /nfs/dbraw/zinc/02/60/70/813026070.db2.gz KBXDDYJHQKYIED-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205617412 813027365 /nfs/dbraw/zinc/02/73/65/813027365.db2.gz JLNCWTDEKTYRDU-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205618582 813028018 /nfs/dbraw/zinc/02/80/18/813028018.db2.gz XIJBBVWKYNKEJO-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)CC[C@H]1C[NH3+] ZINC001205618275 813029513 /nfs/dbraw/zinc/02/95/13/813029513.db2.gz UAWQFMMPCDZVDB-HIFRSBDPSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)CC[C@@H]1C[NH3+] ZINC001205651243 813042216 /nfs/dbraw/zinc/04/22/16/813042216.db2.gz BJEQMJNHDCVEHT-UKRRQHHQSA-N 2 1 272.392 3.240 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CCC1(F)F ZINC001205787837 813077873 /nfs/dbraw/zinc/07/78/73/813077873.db2.gz KENLIDFBMOAJDL-MRXNPFEDSA-N 2 1 294.389 3.370 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCC1(F)F ZINC001205787837 813077881 /nfs/dbraw/zinc/07/78/81/813077881.db2.gz KENLIDFBMOAJDL-MRXNPFEDSA-N 2 1 294.389 3.370 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3cccccc2-3)CCC1(F)F ZINC001205787000 813078873 /nfs/dbraw/zinc/07/88/73/813078873.db2.gz DBSWXRIBEVYSSI-OAHLLOKOSA-N 2 1 290.357 3.207 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205829996 813099613 /nfs/dbraw/zinc/09/96/13/813099613.db2.gz QNKFIWNTWZPLDR-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205829996 813099620 /nfs/dbraw/zinc/09/96/20/813099620.db2.gz QNKFIWNTWZPLDR-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)C1(C)C ZINC001205904136 813126025 /nfs/dbraw/zinc/12/60/25/813126025.db2.gz SHSFXMKHINFBBT-HRCADAONSA-N 2 1 264.457 3.428 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2c1cccc2Cl ZINC001205904442 813126584 /nfs/dbraw/zinc/12/65/84/813126584.db2.gz VGDXRNKZRHVFDL-NEPJUHHUSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205904929 813128130 /nfs/dbraw/zinc/12/81/30/813128130.db2.gz YQPKCZBJVMXNOJ-NEPJUHHUSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912787 813129747 /nfs/dbraw/zinc/12/97/47/813129747.db2.gz CKDOEWZGABAHER-KBPBESRZSA-N 2 1 264.388 3.002 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)n1 ZINC001205915814 813131009 /nfs/dbraw/zinc/13/10/09/813131009.db2.gz QQSCRDQEHXKBAH-WBVHZDCISA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)c12 ZINC001205916931 813133341 /nfs/dbraw/zinc/13/33/41/813133341.db2.gz WSRJIDUDQCPCMG-HUUCEWRRSA-N 2 1 283.419 3.102 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001205923302 813136006 /nfs/dbraw/zinc/13/60/06/813136006.db2.gz MOQHPHDZKFGNSI-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001205923302 813136009 /nfs/dbraw/zinc/13/60/09/813136009.db2.gz MOQHPHDZKFGNSI-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC001205980780 813151918 /nfs/dbraw/zinc/15/19/18/813151918.db2.gz ACZBNNBUCLOANB-YCPHGPKFSA-N 2 1 278.440 3.388 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(C)s1 ZINC001205996158 813156355 /nfs/dbraw/zinc/15/63/55/813156355.db2.gz VMINMOUISQOZSH-SMDDNHRTSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205995789 813157193 /nfs/dbraw/zinc/15/71/93/813157193.db2.gz QKSZVMBTGXDYHJ-SWLSCSKDSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206004563 813160634 /nfs/dbraw/zinc/16/06/34/813160634.db2.gz UBGPBVOQEWPIBH-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2Cl)CCC[C@H]1C[NH3+] ZINC001206004560 813160827 /nfs/dbraw/zinc/16/08/27/813160827.db2.gz UBGPBVOQEWPIBH-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3cc(O)ccc3c2)CCC[C@H]1C[NH3+] ZINC001206003515 813160917 /nfs/dbraw/zinc/16/09/17/813160917.db2.gz IXGKKNUKKSHQCD-KDOFPFPSSA-N 2 1 298.430 3.352 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)cc21 ZINC001206004975 813162524 /nfs/dbraw/zinc/16/25/24/813162524.db2.gz WDMHGSUGSKTLSQ-MAUKXSAKSA-N 2 1 299.462 3.468 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)cc1F ZINC001206011611 813163781 /nfs/dbraw/zinc/16/37/81/813163781.db2.gz FJSNTFUCOJDIQL-STQMWFEESA-N 2 1 282.378 3.080 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043667 813179157 /nfs/dbraw/zinc/17/91/57/813179157.db2.gz QLDHHMSSOZLUMZ-RDTXWAMCSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043667 813179160 /nfs/dbraw/zinc/17/91/60/813179160.db2.gz QLDHHMSSOZLUMZ-RDTXWAMCSA-N 2 1 268.404 3.317 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206163785 813221360 /nfs/dbraw/zinc/22/13/60/813221360.db2.gz FUEMEVFRORJMDS-GJZGRUSLSA-N 2 1 284.444 3.352 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccnc3)cc2)CC[C@@H]1F ZINC001206174248 813226202 /nfs/dbraw/zinc/22/62/02/813226202.db2.gz MUQCGJYPIUXMIR-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC[C@@H]1F ZINC001206174248 813226207 /nfs/dbraw/zinc/22/62/07/813226207.db2.gz MUQCGJYPIUXMIR-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)CC[C@@H]1F ZINC001206176101 813228023 /nfs/dbraw/zinc/22/80/23/813228023.db2.gz YBQPVEIEUPZBBV-IRXDYDNUSA-N 2 1 290.357 3.240 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206184605 813229913 /nfs/dbraw/zinc/22/99/13/813229913.db2.gz JBLYVKKWLKHMGM-CVEARBPZSA-N 2 1 294.414 3.125 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)s1 ZINC001206269480 813264315 /nfs/dbraw/zinc/26/43/15/813264315.db2.gz NQGQEBHPHKCDMJ-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)s1 ZINC001206269480 813264322 /nfs/dbraw/zinc/26/43/22/813264322.db2.gz NQGQEBHPHKCDMJ-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206276886 813266885 /nfs/dbraw/zinc/26/68/85/813266885.db2.gz LEGWXPODYKNFMX-HNNXBMFYSA-N 2 1 274.452 3.416 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206276886 813266903 /nfs/dbraw/zinc/26/69/03/813266903.db2.gz LEGWXPODYKNFMX-HNNXBMFYSA-N 2 1 274.452 3.416 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(C)c1 ZINC001206297612 813277138 /nfs/dbraw/zinc/27/71/38/813277138.db2.gz YYYAMPSXKOGWEJ-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001206311402 813284498 /nfs/dbraw/zinc/28/44/98/813284498.db2.gz NVDAHNUQNYONMU-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311835 813284902 /nfs/dbraw/zinc/28/49/02/813284902.db2.gz VSPQFTHKECSWEK-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2-n2cccc2)CC1 ZINC001206319164 813287158 /nfs/dbraw/zinc/28/71/58/813287158.db2.gz YVTCWWBHJCILHX-IBGZPJMESA-N 2 1 297.446 3.428 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206326514 813289722 /nfs/dbraw/zinc/28/97/22/813289722.db2.gz OOPARUGLNQIDFX-QGZVFWFLSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001206326133 813289981 /nfs/dbraw/zinc/28/99/81/813289981.db2.gz KMKAXBLECZZVPZ-SFHVURJKSA-N 2 1 299.418 3.293 20 0 CGADMP C[C@@]1(F)CCCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001206405608 813315269 /nfs/dbraw/zinc/31/52/69/813315269.db2.gz QQUOJXBHYYYBDD-QGZVFWFLSA-N 2 1 276.399 3.046 20 0 CGADMP CCC1(CC)[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C[C@@H]1OC ZINC001206538437 813342302 /nfs/dbraw/zinc/34/23/02/813342302.db2.gz YMDNZYBFAXHANT-HOTGVXAUSA-N 2 1 284.488 3.148 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(C)c1C ZINC001206541859 813345794 /nfs/dbraw/zinc/34/57/94/813345794.db2.gz LZUARDSUFRHHRH-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206547590 813346292 /nfs/dbraw/zinc/34/62/92/813346292.db2.gz CSNWCVMZPKMNHT-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c21 ZINC001206549665 813347727 /nfs/dbraw/zinc/34/77/27/813347727.db2.gz PSGKEMGHLSLHSK-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001206549823 813349307 /nfs/dbraw/zinc/34/93/07/813349307.db2.gz QFOPSPOULURZGY-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001206549823 813349314 /nfs/dbraw/zinc/34/93/14/813349314.db2.gz QFOPSPOULURZGY-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC001206564199 813354542 /nfs/dbraw/zinc/35/45/42/813354542.db2.gz MVIVBLMXRIPHOE-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC001206564199 813354548 /nfs/dbraw/zinc/35/45/48/813354548.db2.gz MVIVBLMXRIPHOE-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)sc1C ZINC001206563644 813355513 /nfs/dbraw/zinc/35/55/13/813355513.db2.gz GAEMBMHLFYNXQO-HNNXBMFYSA-N 2 1 266.454 3.316 20 0 CGADMP COc1cc(C)cc(F)c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206574724 813359756 /nfs/dbraw/zinc/35/97/56/813359756.db2.gz UMGRJHIZIDDIJI-KRWDZBQOSA-N 2 1 294.414 3.094 20 0 CGADMP COc1cc(C)cc(F)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206574724 813359763 /nfs/dbraw/zinc/35/97/63/813359763.db2.gz UMGRJHIZIDDIJI-KRWDZBQOSA-N 2 1 294.414 3.094 20 0 CGADMP CC(C)[N@@H+](Cc1cc(O)cc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206591749 813366639 /nfs/dbraw/zinc/36/66/39/813366639.db2.gz VTNVCSQGABEYGV-OAHLLOKOSA-N 2 1 296.842 3.398 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCN2)[C@H]1CCC[NH2+]CC1 ZINC001206597394 813369162 /nfs/dbraw/zinc/36/91/62/813369162.db2.gz BYMLDZRMJGGXCE-KRWDZBQOSA-N 2 1 287.451 3.007 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001206606870 813372080 /nfs/dbraw/zinc/37/20/80/813372080.db2.gz VKLNAXNNIRFOFV-HNNXBMFYSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606342 813372722 /nfs/dbraw/zinc/37/27/22/813372722.db2.gz LJJARFOIODCCTJ-HOTGVXAUSA-N 2 1 284.488 3.015 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206616825 813374972 /nfs/dbraw/zinc/37/49/72/813374972.db2.gz QVUDYXKLCNZXOS-CQSZACIVSA-N 2 1 284.403 3.106 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206616866 813375196 /nfs/dbraw/zinc/37/51/96/813375196.db2.gz SDPKWPHVAJCLRB-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206616866 813375204 /nfs/dbraw/zinc/37/52/04/813375204.db2.gz SDPKWPHVAJCLRB-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206616824 813376330 /nfs/dbraw/zinc/37/63/30/813376330.db2.gz QVUDYXKLCNZXOS-AWEZNQCLSA-N 2 1 284.403 3.106 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001206623808 813378234 /nfs/dbraw/zinc/37/82/34/813378234.db2.gz OUYLHWAHNVSWFH-OAHLLOKOSA-N 2 1 284.403 3.106 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206646451 813385635 /nfs/dbraw/zinc/38/56/35/813385635.db2.gz CIIAIBCCFDZLKN-MRXNPFEDSA-N 2 1 290.451 3.343 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CC1 ZINC001206760713 813426419 /nfs/dbraw/zinc/42/64/19/813426419.db2.gz KLPCVBWMXUACEU-JONQDZQNSA-N 2 1 250.430 3.038 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206767621 813430478 /nfs/dbraw/zinc/43/04/78/813430478.db2.gz CNPSOOUHUFIKCW-DOTOQJQBSA-N 2 1 290.451 3.281 20 0 CGADMP CCc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(CC)c1O ZINC001206772146 813433735 /nfs/dbraw/zinc/43/37/35/813433735.db2.gz YPPZJIZRHGHKGJ-ZIAGYGMSSA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001206812551 813445958 /nfs/dbraw/zinc/44/59/58/813445958.db2.gz ZNAHYFDNJOVBSA-TZMCWYRMSA-N 2 1 276.399 3.262 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001207398838 813557325 /nfs/dbraw/zinc/55/73/25/813557325.db2.gz PWGGNKLXJAIOOJ-INIZCTEOSA-N 2 1 292.854 3.471 20 0 CGADMP Clc1ccccc1[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207438232 813565413 /nfs/dbraw/zinc/56/54/13/813565413.db2.gz ZQLBZJVTSAGTAX-CQSZACIVSA-N 2 1 278.827 3.129 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001207486302 813572401 /nfs/dbraw/zinc/57/24/01/813572401.db2.gz FVSAULUEOXTNRX-QGZVFWFLSA-N 2 1 290.426 3.347 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC001207738938 813643215 /nfs/dbraw/zinc/64/32/15/813643215.db2.gz QZJHLCCLGRORHB-INIZCTEOSA-N 2 1 274.452 3.236 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001208110178 813694321 /nfs/dbraw/zinc/69/43/21/813694321.db2.gz XGSVMTAWXRKCLB-MRXNPFEDSA-N 2 1 258.409 3.165 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001208160131 813717315 /nfs/dbraw/zinc/71/73/15/813717315.db2.gz FVPGBBAMPZDZMW-GJZGRUSLSA-N 2 1 250.430 3.005 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001208160131 813717321 /nfs/dbraw/zinc/71/73/21/813717321.db2.gz FVPGBBAMPZDZMW-GJZGRUSLSA-N 2 1 250.430 3.005 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]3CCC[C@H]32)CCCC1 ZINC001208186527 813734849 /nfs/dbraw/zinc/73/48/49/813734849.db2.gz SYKMFYVLVMSJSK-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1cccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001208604084 813771631 /nfs/dbraw/zinc/77/16/31/813771631.db2.gz LADBITHQCHWIPX-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)c1 ZINC001208604084 813771636 /nfs/dbraw/zinc/77/16/36/813771636.db2.gz LADBITHQCHWIPX-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208604084 813771638 /nfs/dbraw/zinc/77/16/38/813771638.db2.gz LADBITHQCHWIPX-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208604084 813771644 /nfs/dbraw/zinc/77/16/44/813771644.db2.gz LADBITHQCHWIPX-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC001208611433 813772513 /nfs/dbraw/zinc/77/25/13/813772513.db2.gz VSASLNQJXRVXOA-MRXNPFEDSA-N 2 1 272.436 3.208 20 0 CGADMP CC/C=C\CC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208726318 813815838 /nfs/dbraw/zinc/81/58/38/813815838.db2.gz TYNINFRWXQYAPA-SSGMOAHOSA-N 2 1 290.476 3.468 20 0 CGADMP CC/C=C\CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208726318 813815845 /nfs/dbraw/zinc/81/58/45/813815845.db2.gz TYNINFRWXQYAPA-SSGMOAHOSA-N 2 1 290.476 3.468 20 0 CGADMP CC/C=C\CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208726318 813815852 /nfs/dbraw/zinc/81/58/52/813815852.db2.gz TYNINFRWXQYAPA-SSGMOAHOSA-N 2 1 290.476 3.468 20 0 CGADMP CC/C=C\CC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208726318 813815858 /nfs/dbraw/zinc/81/58/58/813815858.db2.gz TYNINFRWXQYAPA-SSGMOAHOSA-N 2 1 290.476 3.468 20 0 CGADMP Fc1ccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001208769761 813837556 /nfs/dbraw/zinc/83/75/56/813837556.db2.gz ZPKIQUMGBRYPAF-UHFFFAOYSA-N 2 1 290.426 3.319 20 0 CGADMP C[N@@H+]1CC=C(Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001208844195 813864256 /nfs/dbraw/zinc/86/42/56/813864256.db2.gz NYCPFGHRJPHNSY-UHFFFAOYSA-N 2 1 285.435 3.304 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H]1CCC=CO1 ZINC001208882094 813880148 /nfs/dbraw/zinc/88/01/48/813880148.db2.gz HSVOHSNUDUCCPY-YESZJQIVSA-N 2 1 278.440 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC001208882094 813880159 /nfs/dbraw/zinc/88/01/59/813880159.db2.gz HSVOHSNUDUCCPY-YESZJQIVSA-N 2 1 278.440 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H]1CCC=CO1 ZINC001208882094 813880169 /nfs/dbraw/zinc/88/01/69/813880169.db2.gz HSVOHSNUDUCCPY-YESZJQIVSA-N 2 1 278.440 3.018 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3C[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208946842 813905615 /nfs/dbraw/zinc/90/56/15/813905615.db2.gz IZQSGSIONDFVOP-IPMKNSEASA-N 2 1 284.447 3.240 20 0 CGADMP CC1(C)CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950977 813908650 /nfs/dbraw/zinc/90/86/50/813908650.db2.gz XZHBDDXVVPSCCF-QGZVFWFLSA-N 2 1 272.436 3.240 20 0 CGADMP CC1(C)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950977 813908655 /nfs/dbraw/zinc/90/86/55/813908655.db2.gz XZHBDDXVVPSCCF-QGZVFWFLSA-N 2 1 272.436 3.240 20 0 CGADMP CC1(C)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950977 813908661 /nfs/dbraw/zinc/90/86/61/813908661.db2.gz XZHBDDXVVPSCCF-QGZVFWFLSA-N 2 1 272.436 3.240 20 0 CGADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952994 813910046 /nfs/dbraw/zinc/91/00/46/813910046.db2.gz NHTQCOZEBURAMT-QZTJIDSGSA-N 2 1 286.463 3.486 20 0 CGADMP C[NH+](C[C@H]1CC1(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952994 813910050 /nfs/dbraw/zinc/91/00/50/813910050.db2.gz NHTQCOZEBURAMT-QZTJIDSGSA-N 2 1 286.463 3.486 20 0 CGADMP C[NH+](C[C@H]1CC1(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952994 813910056 /nfs/dbraw/zinc/91/00/56/813910056.db2.gz NHTQCOZEBURAMT-QZTJIDSGSA-N 2 1 286.463 3.486 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+](CC3CC3)C3CC3)C2)cc1 ZINC001208959717 813911384 /nfs/dbraw/zinc/91/13/84/813911384.db2.gz SYSPAOBOGBEEAO-SFHVURJKSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+](CC3CC3)C3CC3)C2)cc1 ZINC001208959717 813911389 /nfs/dbraw/zinc/91/13/89/813911389.db2.gz SYSPAOBOGBEEAO-SFHVURJKSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H](C[NH+](CC3CC3)C3CC3)C2)cc1 ZINC001208959717 813911394 /nfs/dbraw/zinc/91/13/94/813911394.db2.gz SYSPAOBOGBEEAO-SFHVURJKSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+](CC3CC3)C3CC3)C2)cc1 ZINC001208959717 813911403 /nfs/dbraw/zinc/91/14/03/813911403.db2.gz SYSPAOBOGBEEAO-SFHVURJKSA-N 2 1 284.447 3.383 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCCc3ccccc3)C2)C1 ZINC001209235818 813980458 /nfs/dbraw/zinc/98/04/58/813980458.db2.gz SPWDVWZYODTQRB-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCCc3ccccc3)C2)C1 ZINC001209235818 813980462 /nfs/dbraw/zinc/98/04/62/813980462.db2.gz SPWDVWZYODTQRB-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209429943 814030415 /nfs/dbraw/zinc/03/04/15/814030415.db2.gz IDVFBTVQTHQMSV-GOEBONIOSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209429943 814030424 /nfs/dbraw/zinc/03/04/24/814030424.db2.gz IDVFBTVQTHQMSV-GOEBONIOSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@]1(F)CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC001209448022 814045394 /nfs/dbraw/zinc/04/53/94/814045394.db2.gz LBQUJLLUTACBBF-HNNXBMFYSA-N 2 1 256.409 3.077 20 0 CGADMP Cc1ccc(N(C)c2ccc(C[NH+]3CC(C[NH3+])C3)cc2)cc1 ZINC001210542855 814516990 /nfs/dbraw/zinc/51/69/90/814516990.db2.gz BTWJUCYDSNXECE-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH2+]Cc1ccc(Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC001211128045 814754428 /nfs/dbraw/zinc/75/44/28/814754428.db2.gz BMCMJFHSQLBMQX-UHFFFAOYSA-N 2 1 266.348 3.106 20 0 CGADMP CS[C@H](C)CC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153987 816360949 /nfs/dbraw/zinc/36/09/49/816360949.db2.gz FBIPSUALQSVJSU-CVEARBPZSA-N 2 1 284.513 3.374 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154426 816362559 /nfs/dbraw/zinc/36/25/59/816362559.db2.gz LSFLAAIDONHWDM-SFHVURJKSA-N 2 1 272.436 3.133 20 0 CGADMP CC[C@H](C)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155226 816362770 /nfs/dbraw/zinc/36/27/70/816362770.db2.gz YHBYXPRPVGSEJY-HOTGVXAUSA-N 2 1 252.446 3.278 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191550 816372849 /nfs/dbraw/zinc/37/28/49/816372849.db2.gz MXTCMMUBILFGTL-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191550 816372858 /nfs/dbraw/zinc/37/28/58/816372858.db2.gz MXTCMMUBILFGTL-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238038 816383509 /nfs/dbraw/zinc/38/35/09/816383509.db2.gz YWTLZINIIFRPFE-QGZVFWFLSA-N 2 1 258.409 3.021 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2[nH]1 ZINC001222264888 816390860 /nfs/dbraw/zinc/39/08/60/816390860.db2.gz KHWRHUVBWMVGRV-SFHVURJKSA-N 2 1 283.419 3.134 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)CC2)cc1 ZINC001222310406 816404977 /nfs/dbraw/zinc/40/49/77/816404977.db2.gz UUDIXVCOHFDOFA-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222310421 816405072 /nfs/dbraw/zinc/40/50/72/816405072.db2.gz UYBBAUNLVNRKHE-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@]13CCC[NH2+]CC3)CCCN2 ZINC001222314266 816406347 /nfs/dbraw/zinc/40/63/47/816406347.db2.gz DXHHTETZYRCGPH-IBGZPJMESA-N 2 1 299.462 3.153 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[NH+]2CC3(C2)CC[NH2+]C3)cc1 ZINC001222379766 816423688 /nfs/dbraw/zinc/42/36/88/816423688.db2.gz KFUHCFREEWLTDG-INIZCTEOSA-N 2 1 286.463 3.284 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)c1ccccc1 ZINC001222385752 816427198 /nfs/dbraw/zinc/42/71/98/816427198.db2.gz VXPPFVXNMLOKNF-AEFFLSMTSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)c1ccccc1 ZINC001222385752 816427204 /nfs/dbraw/zinc/42/72/04/816427204.db2.gz VXPPFVXNMLOKNF-AEFFLSMTSA-N 2 1 272.436 3.398 20 0 CGADMP c1cc(C[N@H+]2CCC23CCCCC3)cc(N2CC[NH2+]CC2)c1 ZINC001222401089 816434059 /nfs/dbraw/zinc/43/40/59/816434059.db2.gz PSLNOXQJPZCFTO-UHFFFAOYSA-N 2 1 299.462 3.005 20 0 CGADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001222533396 816464359 /nfs/dbraw/zinc/46/43/59/816464359.db2.gz XCYNAPSOKRCRDV-UHFFFAOYSA-N 2 1 291.197 3.256 20 0 CGADMP C[NH+](C)CC[C@H](OC[C@@H]1CCCC[N@H+]1C)c1cccs1 ZINC001224703686 816857969 /nfs/dbraw/zinc/85/79/69/816857969.db2.gz UXVQDQTUUYYWTO-GJZGRUSLSA-N 2 1 296.480 3.242 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014205 818233799 /nfs/dbraw/zinc/23/37/99/818233799.db2.gz KSERSOBUWWHMNF-UHFFFAOYSA-N 2 1 283.350 3.377 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145459 818263431 /nfs/dbraw/zinc/26/34/31/818263431.db2.gz UFOPQOJHOGMTGK-CYBMUJFWSA-N 2 1 264.388 3.262 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001232145112 818264274 /nfs/dbraw/zinc/26/42/74/818264274.db2.gz VPSXKEQIVUWUDM-IYBDPMFKSA-N 2 1 276.399 3.119 20 0 CGADMP C[N@H+](Cc1ccccc1-n1cccc1)C1CC[NH+](C)CC1 ZINC001232908834 818470293 /nfs/dbraw/zinc/47/02/93/818470293.db2.gz WZLMFSISNOFETM-UHFFFAOYSA-N 2 1 283.419 3.003 20 0 CGADMP C[N@@H+](Cc1ccccc1-n1cccc1)C1CC[NH+](C)CC1 ZINC001232908834 818470300 /nfs/dbraw/zinc/47/03/00/818470300.db2.gz WZLMFSISNOFETM-UHFFFAOYSA-N 2 1 283.419 3.003 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)cc1O ZINC001233234848 818549379 /nfs/dbraw/zinc/54/93/79/818549379.db2.gz FXPUFAUQKSHJOI-INIZCTEOSA-N 2 1 298.386 3.057 20 0 CGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)sc1C ZINC001233693902 818683885 /nfs/dbraw/zinc/68/38/85/818683885.db2.gz ZWLGAIMFUVWWRF-UHFFFAOYSA-N 2 1 278.465 3.283 20 0 CGADMP Clc1ccccc1CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234990412 818969657 /nfs/dbraw/zinc/96/96/57/818969657.db2.gz DEADLHTZBKAHMG-KRWDZBQOSA-N 2 1 292.854 3.348 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234990412 818969665 /nfs/dbraw/zinc/96/96/65/818969665.db2.gz DEADLHTZBKAHMG-KRWDZBQOSA-N 2 1 292.854 3.348 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235023954 818980602 /nfs/dbraw/zinc/98/06/02/818980602.db2.gz HNUUYAUKNQAJQN-UHFFFAOYSA-N 2 1 292.426 3.457 20 0 CGADMP c1ccc(CCCCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235018719 818980977 /nfs/dbraw/zinc/98/09/77/818980977.db2.gz UBQZKBAMHXJHDO-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235018719 818980985 /nfs/dbraw/zinc/98/09/85/818980985.db2.gz UBQZKBAMHXJHDO-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031101 818982020 /nfs/dbraw/zinc/98/20/20/818982020.db2.gz CEYNLPQEICTYQF-GOSISDBHSA-N 2 1 270.420 3.140 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031041 818982400 /nfs/dbraw/zinc/98/24/00/818982400.db2.gz LMEPILWUAOIARR-CVEARBPZSA-N 2 1 250.430 3.054 20 0 CGADMP COc1cc(C)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235045732 818990374 /nfs/dbraw/zinc/99/03/74/818990374.db2.gz NCWAFVCCWNLJPA-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235094275 818999241 /nfs/dbraw/zinc/99/92/41/818999241.db2.gz JCIONWGMYJWPKB-UHFFFAOYSA-N 2 1 290.476 3.292 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)c1 ZINC001235092250 818999750 /nfs/dbraw/zinc/99/97/50/818999750.db2.gz JJPCJHOKABPYMD-UHFFFAOYSA-N 2 1 295.430 3.053 20 0 CGADMP Cc1cc(C[NH+]2CC3(C2)CC[NH2+]CC3)c(Cl)cc1Cl ZINC001235093080 819000032 /nfs/dbraw/zinc/00/00/32/819000032.db2.gz OHUUBDYNSCFKQQ-UHFFFAOYSA-N 2 1 299.245 3.487 20 0 CGADMP C[C@@H](CC[N@@H+]1CCC[C@]12CC[NH2+]C2)CC(C)(C)C ZINC001235111762 819006759 /nfs/dbraw/zinc/00/67/59/819006759.db2.gz UYWLIYZGNIQYBL-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@]12CC[NH2+]C2)CC(C)(C)C ZINC001235111762 819006762 /nfs/dbraw/zinc/00/67/62/819006762.db2.gz UYWLIYZGNIQYBL-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1cc(F)c(F)c(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001235135768 819015575 /nfs/dbraw/zinc/01/55/75/819015575.db2.gz QEIHPTBNCDLARE-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c1Cl ZINC001235143999 819015859 /nfs/dbraw/zinc/01/58/59/819015859.db2.gz HPYFPFQKTVJJAC-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC23CC[NH2+]CC3)c1Cl ZINC001235143999 819015867 /nfs/dbraw/zinc/01/58/67/819015867.db2.gz HPYFPFQKTVJJAC-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235150994 819016947 /nfs/dbraw/zinc/01/69/47/819016947.db2.gz CGCAZLLKPUBIAX-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1cccc(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160783 819019626 /nfs/dbraw/zinc/01/96/26/819019626.db2.gz ZGMUIAQDLKJWFD-KRWDZBQOSA-N 2 1 294.389 3.319 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235186149 819028173 /nfs/dbraw/zinc/02/81/73/819028173.db2.gz VTUWKRIEHUAJSX-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235186149 819028176 /nfs/dbraw/zinc/02/81/76/819028176.db2.gz VTUWKRIEHUAJSX-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1F ZINC001235191235 819032831 /nfs/dbraw/zinc/03/28/31/819032831.db2.gz QZXHULGYTUWKMT-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1F ZINC001235191235 819032838 /nfs/dbraw/zinc/03/28/38/819032838.db2.gz QZXHULGYTUWKMT-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001235224343 819040475 /nfs/dbraw/zinc/04/04/75/819040475.db2.gz KDADFBVCFJZSKL-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001235224345 819040925 /nfs/dbraw/zinc/04/09/25/819040925.db2.gz KDADFBVCFJZSKL-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235256881 819053178 /nfs/dbraw/zinc/05/31/78/819053178.db2.gz GXBYDJHZAAUSQJ-GXTWGEPZSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235256881 819053185 /nfs/dbraw/zinc/05/31/85/819053185.db2.gz GXBYDJHZAAUSQJ-GXTWGEPZSA-N 2 1 272.417 3.003 20 0 CGADMP c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264812 819058044 /nfs/dbraw/zinc/05/80/44/819058044.db2.gz YZYMNIOMAFDVMM-RBUKOAKNSA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264812 819058050 /nfs/dbraw/zinc/05/80/50/819058050.db2.gz YZYMNIOMAFDVMM-RBUKOAKNSA-N 2 1 278.399 3.147 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235263824 819058440 /nfs/dbraw/zinc/05/84/40/819058440.db2.gz VIGXBDQYIBHUGY-GUYCJALGSA-N 2 1 297.446 3.259 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235263824 819058446 /nfs/dbraw/zinc/05/84/46/819058446.db2.gz VIGXBDQYIBHUGY-GUYCJALGSA-N 2 1 297.446 3.259 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(C4CCCCC4)cc3)C[C@@H]12 ZINC001235282641 819060878 /nfs/dbraw/zinc/06/08/78/819060878.db2.gz CJDWQQWOSCQDER-BCDXTJNWSA-N 2 1 270.420 3.123 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCCc1ccccc1)C2 ZINC001235399393 819084588 /nfs/dbraw/zinc/08/45/88/819084588.db2.gz AYINTRYTRGQBOH-MSOLQXFVSA-N 2 1 290.426 3.033 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424805 819092239 /nfs/dbraw/zinc/09/22/39/819092239.db2.gz JWBYPJXLZLCNPF-IRXDYDNUSA-N 2 1 297.446 3.380 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424802 819093527 /nfs/dbraw/zinc/09/35/27/819093527.db2.gz JWBYPJXLZLCNPF-DLBZAZTESA-N 2 1 297.446 3.380 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)CC2)cc1 ZINC001235427889 819093993 /nfs/dbraw/zinc/09/39/93/819093993.db2.gz UFNPQXGKPAFXLJ-ROUUACIJSA-N 2 1 298.474 3.430 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC001235431237 819094216 /nfs/dbraw/zinc/09/42/16/819094216.db2.gz MUUMOXUEMMWWKD-JKSUJKDBSA-N 2 1 278.465 3.268 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+](C)CCC[NH3+])cc1 ZINC001235435192 819097608 /nfs/dbraw/zinc/09/76/08/819097608.db2.gz CBZCYIAVBTXYIW-HNNXBMFYSA-N 2 1 262.441 3.269 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1ccc(F)c(Oc2ccccc2)c1 ZINC001235435682 819099216 /nfs/dbraw/zinc/09/92/16/819099216.db2.gz UPFUWWPFUSIYHJ-UHFFFAOYSA-N 2 1 288.366 3.399 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(F)c(Oc2ccccc2)c1 ZINC001235435682 819099219 /nfs/dbraw/zinc/09/92/19/819099219.db2.gz UPFUWWPFUSIYHJ-UHFFFAOYSA-N 2 1 288.366 3.399 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001235443673 819100438 /nfs/dbraw/zinc/10/04/38/819100438.db2.gz OZRQGKAWXCJYTI-UHFFFAOYSA-N 2 1 289.810 3.183 20 0 CGADMP CO[C@H]1CCC[C@@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235626286 819127799 /nfs/dbraw/zinc/12/77/99/819127799.db2.gz UJKYNJPEZYNLSY-NJAFHUGGSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235661345 819132481 /nfs/dbraw/zinc/13/24/81/819132481.db2.gz LZXHBKBCKNBDID-CQSZACIVSA-N 2 1 258.409 3.097 20 0 CGADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](CCCC[NH3+])C2)c1 ZINC001235676086 819137221 /nfs/dbraw/zinc/13/72/21/819137221.db2.gz VICXZHKHKLEMOC-AWEZNQCLSA-N 2 1 296.842 3.231 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CC2(C)CC[NH2+]CC2)cc1 ZINC001235680527 819139670 /nfs/dbraw/zinc/13/96/70/819139670.db2.gz TXNBBDQCWDDBPM-KRWDZBQOSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@H+](Cc1ccccc1F)CC1CC2(C1)CC[NH2+]CC2 ZINC001235691440 819143457 /nfs/dbraw/zinc/14/34/57/819143457.db2.gz KZOLBHSFPZDMNA-UHFFFAOYSA-N 2 1 276.399 3.037 20 0 CGADMP Fc1ccc(F)c([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC001235714351 819149658 /nfs/dbraw/zinc/14/96/58/819149658.db2.gz JRGQLYXLOOIHAG-QGZVFWFLSA-N 2 1 294.389 3.491 20 0 CGADMP Fc1cccc2c(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cccc12 ZINC001235714466 819149975 /nfs/dbraw/zinc/14/99/75/819149975.db2.gz WWIISLPNOQZNIF-UHFFFAOYSA-N 2 1 284.378 3.164 20 0 CGADMP Fc1cccc2c(C[N@H+]3CCCC4(C[NH2+]C4)C3)cccc12 ZINC001235714466 819149978 /nfs/dbraw/zinc/14/99/78/819149978.db2.gz WWIISLPNOQZNIF-UHFFFAOYSA-N 2 1 284.378 3.164 20 0 CGADMP Fc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001235715012 819150824 /nfs/dbraw/zinc/15/08/24/819150824.db2.gz NUAKVTQWQGAAQS-IAGOWNOFSA-N 2 1 276.399 3.495 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235724182 819152948 /nfs/dbraw/zinc/15/29/48/819152948.db2.gz CWOGDJFIZFMNSM-LSDHHAIUSA-N 2 1 276.399 3.147 20 0 CGADMP CCCCCCOc1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC001235750985 819160161 /nfs/dbraw/zinc/16/01/61/819160161.db2.gz TXZBCMVHUXMODW-MRXNPFEDSA-N 2 1 290.451 3.426 20 0 CGADMP CC[N@@H+](CCCc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235761216 819161382 /nfs/dbraw/zinc/16/13/82/819161382.db2.gz RIBSQSQBNVERLN-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP Cc1c(C[N@H+]2CC[C@H](C[NH3+])C2)cccc1-c1ccccc1 ZINC001235751437 819161794 /nfs/dbraw/zinc/16/17/94/819161794.db2.gz YYYQLNMMJNGXCD-MRXNPFEDSA-N 2 1 280.415 3.443 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@H+](CC)C1CC[NH2+]CC1 ZINC001235759814 819162303 /nfs/dbraw/zinc/16/23/03/819162303.db2.gz AIWQEWDQBCCWCH-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235759814 819162307 /nfs/dbraw/zinc/16/23/07/819162307.db2.gz AIWQEWDQBCCWCH-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CCCc1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)cc1 ZINC001235762962 819163375 /nfs/dbraw/zinc/16/33/75/819163375.db2.gz XUIJSQODAMQQRL-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP CC[N@@H+](Cc1cc(C)cc(SC)c1)C1CC[NH2+]CC1 ZINC001235764411 819163868 /nfs/dbraw/zinc/16/38/68/819163868.db2.gz AKNNDCPVAOYQLJ-UHFFFAOYSA-N 2 1 278.465 3.291 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1 ZINC001235809766 819172491 /nfs/dbraw/zinc/17/24/91/819172491.db2.gz IWPDYANEXWJPNW-BJWYYQGGSA-N 2 1 272.436 3.438 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C1(C)C ZINC001235811476 819174479 /nfs/dbraw/zinc/17/44/79/819174479.db2.gz QSVFGZMVYJWPQT-LVQVYYBASA-N 2 1 262.441 3.323 20 0 CGADMP C[N@H+](Cc1ccc2c(c1)Cc1ccccc1-2)C[C@@H]1CC[NH2+]C1 ZINC001235841899 819183656 /nfs/dbraw/zinc/18/36/56/819183656.db2.gz JPOHGPZZTPNRAK-MRXNPFEDSA-N 2 1 292.426 3.299 20 0 CGADMP C[N@H+](Cc1ccc(-c2cccs2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235841926 819183789 /nfs/dbraw/zinc/18/37/89/819183789.db2.gz JZRXIKRFHZVCTO-HNNXBMFYSA-N 2 1 286.444 3.456 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235842940 819184973 /nfs/dbraw/zinc/18/49/73/819184973.db2.gz UKYJIQMVJYLCRL-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001235892243 819202505 /nfs/dbraw/zinc/20/25/05/819202505.db2.gz NIZRETJIWWZOIO-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001235892243 819202511 /nfs/dbraw/zinc/20/25/11/819202511.db2.gz NIZRETJIWWZOIO-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP c1c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)sc2c1CC[NH2+]C2 ZINC001235894162 819204552 /nfs/dbraw/zinc/20/45/52/819204552.db2.gz UMLHSZQUCSCOBP-SWLSCSKDSA-N 2 1 276.449 3.158 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235930945 819229264 /nfs/dbraw/zinc/22/92/64/819229264.db2.gz YLTCFMOCVJNIQB-RDJZCZTQSA-N 2 1 280.415 3.190 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC001235934837 819230530 /nfs/dbraw/zinc/23/05/30/819230530.db2.gz NWUGXPPWBUMDEG-KRWDZBQOSA-N 2 1 284.378 3.274 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001235950142 819239284 /nfs/dbraw/zinc/23/92/84/819239284.db2.gz RKHBTMCKQKELOY-FUHWJXTLSA-N 2 1 288.435 3.364 20 0 CGADMP CC[C@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001235949885 819239998 /nfs/dbraw/zinc/23/99/98/819239998.db2.gz WSEDGBIBWCHMSF-LBPRGKRZSA-N 2 1 264.438 3.016 20 0 CGADMP C[N@@H+](Cc1cc2ccc(Cl)cc2[nH]1)C[C@H]1CCC[NH2+]C1 ZINC001235956161 819244220 /nfs/dbraw/zinc/24/42/20/819244220.db2.gz AHWXSEJHVYSQNL-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1cc2ccc(Cl)cc2[nH]1)C[C@H]1CCC[NH2+]C1 ZINC001235956161 819244223 /nfs/dbraw/zinc/24/42/23/819244223.db2.gz AHWXSEJHVYSQNL-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958623 819245260 /nfs/dbraw/zinc/24/52/60/819245260.db2.gz NPDZQTJVEULPLA-QHBPRCKVSA-N 2 1 296.867 3.231 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958623 819245266 /nfs/dbraw/zinc/24/52/66/819245266.db2.gz NPDZQTJVEULPLA-QHBPRCKVSA-N 2 1 296.867 3.231 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958262 819245466 /nfs/dbraw/zinc/24/54/66/819245466.db2.gz CDDALCNTBLDILI-NATGHXJUSA-N 2 1 250.430 3.182 20 0 CGADMP C[N@H+](Cc1ccc(F)c2ccccc12)C[C@@H]1CCC[NH2+]C1 ZINC001235957792 819245529 /nfs/dbraw/zinc/24/55/29/819245529.db2.gz UHGUILLLMHPZSS-CQSZACIVSA-N 2 1 286.394 3.410 20 0 CGADMP CCCCOc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235958456 819246473 /nfs/dbraw/zinc/24/64/73/819246473.db2.gz FFYBUKLSPYAKMB-ALXJQNPVSA-N 2 1 288.435 3.035 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235981554 819256156 /nfs/dbraw/zinc/25/61/56/819256156.db2.gz WTPDZPQUKULVBJ-DOMZBBRYSA-N 2 1 299.245 3.349 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235981554 819256163 /nfs/dbraw/zinc/25/61/63/819256163.db2.gz WTPDZPQUKULVBJ-DOMZBBRYSA-N 2 1 299.245 3.349 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235984990 819259225 /nfs/dbraw/zinc/25/92/25/819259225.db2.gz ARDMNDLKPNIZJP-DOTOQJQBSA-N 2 1 284.428 3.338 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235984990 819259229 /nfs/dbraw/zinc/25/92/29/819259229.db2.gz ARDMNDLKPNIZJP-DOTOQJQBSA-N 2 1 284.428 3.338 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235985624 819260655 /nfs/dbraw/zinc/26/06/55/819260655.db2.gz BRHOXBVHLAEFLZ-LRDDRELGSA-N 2 1 272.417 3.133 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235985624 819260657 /nfs/dbraw/zinc/26/06/57/819260657.db2.gz BRHOXBVHLAEFLZ-LRDDRELGSA-N 2 1 272.417 3.133 20 0 CGADMP FC1CC2(C1)CCC[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC001235991746 819262030 /nfs/dbraw/zinc/26/20/30/819262030.db2.gz HHVCXXOCVQCLNX-UHFFFAOYSA-N 2 1 288.410 3.394 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)ccc3ccccc32)C1 ZINC001236066819 819298285 /nfs/dbraw/zinc/29/82/85/819298285.db2.gz LCQQOUSEZBYRMI-OAHLLOKOSA-N 2 1 268.404 3.190 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C)o3)cc2)C1 ZINC001236068954 819300053 /nfs/dbraw/zinc/30/00/53/819300053.db2.gz ZHOIHKMYFJAJDW-MRXNPFEDSA-N 2 1 284.403 3.296 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236094351 819313033 /nfs/dbraw/zinc/31/30/33/819313033.db2.gz CCVLJQVQGRYVOL-LBPRGKRZSA-N 2 1 286.341 3.198 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236094351 819313038 /nfs/dbraw/zinc/31/30/38/819313038.db2.gz CCVLJQVQGRYVOL-LBPRGKRZSA-N 2 1 286.341 3.198 20 0 CGADMP Cc1cc(Cl)c(C[N@H+](C)CCCC[NH3+])c(Cl)c1 ZINC001236141057 819341210 /nfs/dbraw/zinc/34/12/10/819341210.db2.gz DWOXYIHLVAJZJU-UHFFFAOYSA-N 2 1 275.223 3.473 20 0 CGADMP Cc1cc(Cl)c(C[N@@H+](C)CCCC[NH3+])c(Cl)c1 ZINC001236141057 819341217 /nfs/dbraw/zinc/34/12/17/819341217.db2.gz DWOXYIHLVAJZJU-UHFFFAOYSA-N 2 1 275.223 3.473 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(OC)cc1C)C1CC[NH2+]CC1 ZINC001236180270 819357830 /nfs/dbraw/zinc/35/78/30/819357830.db2.gz FRNXHTFWPXDLIS-UHFFFAOYSA-N 2 1 290.451 3.276 20 0 CGADMP CCC[N@@H+](Cc1ccc2c(c1)CCCN2)C1CC[NH2+]CC1 ZINC001236184124 819360141 /nfs/dbraw/zinc/36/01/41/819360141.db2.gz FKADUKYPTYWCID-UHFFFAOYSA-N 2 1 287.451 3.009 20 0 CGADMP C[N@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215397 819378050 /nfs/dbraw/zinc/37/80/50/819378050.db2.gz HTRUKEUTEWOYTD-FUHWJXTLSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215397 819378057 /nfs/dbraw/zinc/37/80/57/819378057.db2.gz HTRUKEUTEWOYTD-FUHWJXTLSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@H+](Cc1cc(F)cc2cc[nH]c21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215431 819378280 /nfs/dbraw/zinc/37/82/80/819378280.db2.gz HZURCWXXMXYPHF-GJZGRUSLSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1cc(F)cc2cc[nH]c21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215431 819378288 /nfs/dbraw/zinc/37/82/88/819378288.db2.gz HZURCWXXMXYPHF-GJZGRUSLSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218073 819383563 /nfs/dbraw/zinc/38/35/63/819383563.db2.gz RIRXAVFFSWVGFX-GJZGRUSLSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218073 819383569 /nfs/dbraw/zinc/38/35/69/819383569.db2.gz RIRXAVFFSWVGFX-GJZGRUSLSA-N 2 1 275.371 3.009 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1CC ZINC001236219174 819387063 /nfs/dbraw/zinc/38/70/63/819387063.db2.gz VJKNEKCHUYAATN-SJORKVTESA-N 2 1 290.451 3.349 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1CC ZINC001236219174 819387066 /nfs/dbraw/zinc/38/70/66/819387066.db2.gz VJKNEKCHUYAATN-SJORKVTESA-N 2 1 290.451 3.349 20 0 CGADMP Cc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc(C)c1F ZINC001236225675 819390384 /nfs/dbraw/zinc/39/03/84/819390384.db2.gz BDKWRHXZWBJSEQ-UHFFFAOYSA-N 2 1 264.388 3.016 20 0 CGADMP C[N@@H+](Cc1ccccc1-n1cccc1)C1(C)CC[NH2+]CC1 ZINC001236226817 819391368 /nfs/dbraw/zinc/39/13/68/819391368.db2.gz ULJIOABAXFGPRD-UHFFFAOYSA-N 2 1 283.419 3.051 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236247175 819403875 /nfs/dbraw/zinc/40/38/75/819403875.db2.gz PONVKLLZMYTVMY-OAHLLOKOSA-N 2 1 254.377 3.071 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236247175 819403879 /nfs/dbraw/zinc/40/38/79/819403879.db2.gz PONVKLLZMYTVMY-OAHLLOKOSA-N 2 1 254.377 3.071 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236266421 819410584 /nfs/dbraw/zinc/41/05/84/819410584.db2.gz RTOBYQOGPITRDF-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP CCOC(=[NH2+])c1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236351697 819431377 /nfs/dbraw/zinc/43/13/77/819431377.db2.gz DBKVBPZLPOQLIV-UHFFFAOYSA-N 2 1 280.371 3.361 20 0 CGADMP CC[N@@H+](Cc1cc(C)ccc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236407064 819454120 /nfs/dbraw/zinc/45/41/20/819454120.db2.gz BFYKCZNJIRVGIW-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+](Cc1cc(C)ccc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236407064 819454124 /nfs/dbraw/zinc/45/41/24/819454124.db2.gz BFYKCZNJIRVGIW-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408426 819455994 /nfs/dbraw/zinc/45/59/94/819455994.db2.gz LVNLUJNRYVBHEA-CQSZACIVSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](Cc1c(C)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409464 819456251 /nfs/dbraw/zinc/45/62/51/819456251.db2.gz UYQUUBFZIXRIHC-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1c(C)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409464 819456254 /nfs/dbraw/zinc/45/62/54/819456254.db2.gz UYQUUBFZIXRIHC-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](CC)C[C@H]3CC[NH2+]C3)cc21 ZINC001236408894 819456482 /nfs/dbraw/zinc/45/64/82/819456482.db2.gz QDBZFOORGWUEIU-INIZCTEOSA-N 2 1 285.435 3.093 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(C)(C)c1ccccc1 ZINC001236420552 819467232 /nfs/dbraw/zinc/46/72/32/819467232.db2.gz PJFUMDGMMNNEMT-MRXNPFEDSA-N 2 1 260.425 3.038 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CCC(C)(C)c1ccccc1 ZINC001236420552 819467234 /nfs/dbraw/zinc/46/72/34/819467234.db2.gz PJFUMDGMMNNEMT-MRXNPFEDSA-N 2 1 260.425 3.038 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236435802 819478223 /nfs/dbraw/zinc/47/82/23/819478223.db2.gz VZRIWHTZISJWGV-SFHVURJKSA-N 2 1 284.378 3.226 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236435802 819478225 /nfs/dbraw/zinc/47/82/25/819478225.db2.gz VZRIWHTZISJWGV-SFHVURJKSA-N 2 1 284.378 3.226 20 0 CGADMP c1ccc(C[N@H+](CCC2CC[NH2+]CC2)C2CCC2)cc1 ZINC001236442057 819480761 /nfs/dbraw/zinc/48/07/61/819480761.db2.gz NLQNHWGJMXAJKD-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP c1ccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001236440824 819480798 /nfs/dbraw/zinc/48/07/98/819480798.db2.gz HLLUMKNIXYUOFN-MRXNPFEDSA-N 2 1 272.436 3.431 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1cc(O)cc(F)c1)C1CC[NH2+]CC1 ZINC001236459414 819486542 /nfs/dbraw/zinc/48/65/42/819486542.db2.gz NFZMFBCFTWOVIH-UHFFFAOYSA-N 2 1 294.414 3.131 20 0 CGADMP CC(C)C[N@H+](Cc1ccc(N(C)C)s1)[C@@H]1CCC[NH2+]C1 ZINC001236477503 819495453 /nfs/dbraw/zinc/49/54/53/819495453.db2.gz FZDHAGOQQNGABN-CQSZACIVSA-N 2 1 295.496 3.024 20 0 CGADMP CC(C)C[N@@H+](Cc1ccc(N(C)C)s1)[C@@H]1CCC[NH2+]C1 ZINC001236477503 819495454 /nfs/dbraw/zinc/49/54/54/819495454.db2.gz FZDHAGOQQNGABN-CQSZACIVSA-N 2 1 295.496 3.024 20 0 CGADMP Cc1ccc(C[N@H+](CCC2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236493518 819502591 /nfs/dbraw/zinc/50/25/91/819502591.db2.gz VWVNBMGMDBENTQ-UHFFFAOYSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1ccc(C[N@@H+](CCC2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236493518 819502595 /nfs/dbraw/zinc/50/25/95/819502595.db2.gz VWVNBMGMDBENTQ-UHFFFAOYSA-N 2 1 290.426 3.488 20 0 CGADMP CNc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236550378 819534197 /nfs/dbraw/zinc/53/41/97/819534197.db2.gz GTGHHTXBJKPDJQ-SAABIXHNSA-N 2 1 287.451 3.210 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCCC[NH2+]2)C2CCCC2)CC1 ZINC001236566988 819538260 /nfs/dbraw/zinc/53/82/60/819538260.db2.gz QGPRUAVWEAGKER-BQFCYCMXSA-N 3 1 293.499 3.033 20 0 CGADMP [NH3+]CCCCCC[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566195 819538760 /nfs/dbraw/zinc/53/87/60/819538760.db2.gz FIGOSHBYQQWXLP-JCNLHEQBSA-N 3 1 281.488 3.020 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001236607165 819551971 /nfs/dbraw/zinc/55/19/71/819551971.db2.gz ZNCAOSKIUIUGHQ-UHFFFAOYSA-N 2 1 292.426 3.199 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001236616855 819553579 /nfs/dbraw/zinc/55/35/79/819553579.db2.gz QMLVOCWTAHEZMK-HNNXBMFYSA-N 2 1 266.816 3.073 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001236616855 819553584 /nfs/dbraw/zinc/55/35/84/819553584.db2.gz QMLVOCWTAHEZMK-HNNXBMFYSA-N 2 1 266.816 3.073 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@H]12 ZINC001236817190 819606789 /nfs/dbraw/zinc/60/67/89/819606789.db2.gz ACTWJFFASBTDQD-BPQIPLTHSA-N 2 1 284.447 3.168 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236826388 819607368 /nfs/dbraw/zinc/60/73/68/819607368.db2.gz CMPIFGZNDWTFKO-BPNCWPANSA-N 2 1 296.867 3.231 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236821718 819608625 /nfs/dbraw/zinc/60/86/25/819608625.db2.gz WCKXVRHWYRNUIC-QAETUUGQSA-N 2 1 264.457 3.428 20 0 CGADMP CCC[N@H+](Cc1ccccc1CC)C[C@H]1CC[NH2+]C1 ZINC001236833770 819612989 /nfs/dbraw/zinc/61/29/89/819612989.db2.gz CJDRMDBUTWHFDN-HNNXBMFYSA-N 2 1 260.425 3.071 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836002 819615642 /nfs/dbraw/zinc/61/56/42/819615642.db2.gz SIFQMIOGJWSLMT-CQSZACIVSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236844162 819620737 /nfs/dbraw/zinc/62/07/37/819620737.db2.gz ULWRVDHVNKFDQH-HNNXBMFYSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001237058376 819656181 /nfs/dbraw/zinc/65/61/81/819656181.db2.gz PLSPCGSGFAHIRI-INIZCTEOSA-N 2 1 280.843 3.333 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc(CC)c1O ZINC001237057921 819656971 /nfs/dbraw/zinc/65/69/71/819656971.db2.gz OPOFPECDNODDLS-SFHVURJKSA-N 2 1 290.451 3.078 20 0 CGADMP C[N@H+](Cc1cc(O)cc2ccccc21)CC1CC[NH+](C)CC1 ZINC001237069755 819658672 /nfs/dbraw/zinc/65/86/72/819658672.db2.gz TYVWNVGMJAXIJG-UHFFFAOYSA-N 2 1 298.430 3.319 20 0 CGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-n1cccc1 ZINC001237082084 819662360 /nfs/dbraw/zinc/66/23/60/819662360.db2.gz ORZMWPSYYIAZHF-ZNXRZULTSA-N 2 1 295.430 3.179 20 0 CGADMP CCc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237144687 819678640 /nfs/dbraw/zinc/67/86/40/819678640.db2.gz KYKHWADVAJSOSD-SFHVURJKSA-N 2 1 272.436 3.356 20 0 CGADMP CCc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237144687 819678643 /nfs/dbraw/zinc/67/86/43/819678643.db2.gz KYKHWADVAJSOSD-SFHVURJKSA-N 2 1 272.436 3.356 20 0 CGADMP Cc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237144727 819678694 /nfs/dbraw/zinc/67/86/94/819678694.db2.gz LIMBPRFRLDAXQC-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237144727 819678697 /nfs/dbraw/zinc/67/86/97/819678697.db2.gz LIMBPRFRLDAXQC-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3c(C)cc(Cl)cc3C)C[C@H]2C1 ZINC001237351984 819733071 /nfs/dbraw/zinc/73/30/71/819733071.db2.gz CWFMYMWDUDKNJR-HUUCEWRRSA-N 2 1 292.854 3.340 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237374021 819736478 /nfs/dbraw/zinc/73/64/78/819736478.db2.gz ARSWTKMGGKUVJB-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237374021 819736483 /nfs/dbraw/zinc/73/64/83/819736483.db2.gz ARSWTKMGGKUVJB-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP Clc1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384371 819739627 /nfs/dbraw/zinc/73/96/27/819739627.db2.gz VVJWPQFCXFGDJL-WBVHZDCISA-N 2 1 292.854 3.347 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418560 819748916 /nfs/dbraw/zinc/74/89/16/819748916.db2.gz YUXUVPGKYGRABX-GDBMZVCRSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418560 819748917 /nfs/dbraw/zinc/74/89/17/819748917.db2.gz YUXUVPGKYGRABX-GDBMZVCRSA-N 2 1 278.827 3.222 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237416656 819748987 /nfs/dbraw/zinc/74/89/87/819748987.db2.gz SCBCUYGINFPSHL-HOCLYGCPSA-N 2 1 290.476 3.373 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237416656 819748990 /nfs/dbraw/zinc/74/89/90/819748990.db2.gz SCBCUYGINFPSHL-HOCLYGCPSA-N 2 1 290.476 3.373 20 0 CGADMP CC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237889882 819872831 /nfs/dbraw/zinc/87/28/31/819872831.db2.gz PMPPDJIYXFEXLZ-KRWDZBQOSA-N 2 1 298.430 3.099 20 0 CGADMP Cc1ccnc(F)c1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001243553747 823443048 /nfs/dbraw/zinc/44/30/48/823443048.db2.gz LBKUARUYJNJNDX-UHFFFAOYSA-N 2 1 299.393 3.119 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001238620008 820063726 /nfs/dbraw/zinc/06/37/26/820063726.db2.gz VACFEOXJUVZQPI-UHFFFAOYSA-N 2 1 297.446 3.441 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001238620008 820063734 /nfs/dbraw/zinc/06/37/34/820063734.db2.gz VACFEOXJUVZQPI-UHFFFAOYSA-N 2 1 297.446 3.441 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cnc(C4CC4)c(C)c3)C[C@H]2C1 ZINC001238630795 820067612 /nfs/dbraw/zinc/06/76/12/820067612.db2.gz HPPIBNNBDUKQIW-HDICACEKSA-N 2 1 299.462 3.041 20 0 CGADMP C[N@@H+]1CC=C(c2cccc3c2C2(C=C3)CC[NH2+]CC2)CC1 ZINC001241319317 821729758 /nfs/dbraw/zinc/72/97/58/821729758.db2.gz HPRIIIIPCISYFG-UHFFFAOYSA-N 2 1 280.415 3.054 20 0 CGADMP CC[NH+](CC)Cc1ccc(F)c(C2=CCC[N@@H+](C)C2)c1 ZINC001241571601 821958403 /nfs/dbraw/zinc/95/84/03/821958403.db2.gz APTADSJHOKXVIW-UHFFFAOYSA-N 2 1 276.399 3.386 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001242096591 822349844 /nfs/dbraw/zinc/34/98/44/822349844.db2.gz VHAHSRGKINVIRM-UHFFFAOYSA-N 2 1 299.443 3.483 20 0 CGADMP CC[NH+](CC)Cc1cc(-c2c[nH+]c(N)cc2C)ccc1OC ZINC001242096484 822350012 /nfs/dbraw/zinc/35/00/12/822350012.db2.gz OUIWNMNUXRJFHM-UHFFFAOYSA-N 2 1 299.418 3.490 20 0 CGADMP COc1cc(C)[nH+]cc1-c1ccc(OCC[NH+](C)C)cc1 ZINC001242151083 822895231 /nfs/dbraw/zinc/89/52/31/822895231.db2.gz WCGMVRWKJRYUBF-UHFFFAOYSA-N 2 1 286.375 3.006 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001351282264 937013534 /nfs/dbraw/zinc/01/35/34/937013534.db2.gz BYAZBMAYABEPDS-FPCVCCKLSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC001352759815 937048568 /nfs/dbraw/zinc/04/85/68/937048568.db2.gz GNFUIRHJSFQQJN-JLYLLQBASA-N 2 1 284.447 3.285 20 0 CGADMP Fc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1C(F)F ZINC001355281270 937133555 /nfs/dbraw/zinc/13/35/55/937133555.db2.gz WOCDMPWUUZITGC-UHFFFAOYSA-N 2 1 286.341 3.339 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@H]2C1 ZINC001355374549 937138555 /nfs/dbraw/zinc/13/85/55/937138555.db2.gz VAACOBMJQRREHD-GGUMXTIFSA-N 2 1 284.447 3.362 20 0 CGADMP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CCc1ccc(F)cc1 ZINC001474627039 937207753 /nfs/dbraw/zinc/20/77/53/937207753.db2.gz YWFMYZQZWMOSRV-HNNXBMFYSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459925741 937506566 /nfs/dbraw/zinc/50/65/66/937506566.db2.gz SRXBHPAGBDNSQW-QBPKDAKJSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)[C@H]1CSCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001460690175 937540099 /nfs/dbraw/zinc/54/00/99/937540099.db2.gz HCDGVEFCBLBCQR-OAHLLOKOSA-N 2 1 284.513 3.326 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC001460799571 937545869 /nfs/dbraw/zinc/54/58/69/937545869.db2.gz FHWHNGXBQSHQGC-BRWVUGGUSA-N 2 1 287.451 3.418 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccccc1N1CCCC1 ZINC000034991381 931950644 /nfs/dbraw/zinc/95/06/44/931950644.db2.gz AGYZMTCXNDTRCH-UHFFFAOYSA-N 2 1 289.467 3.108 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000319955557 932034463 /nfs/dbraw/zinc/03/44/63/932034463.db2.gz PXEDJRBEYIIIGM-OAHLLOKOSA-N 2 1 298.430 3.409 20 0 CGADMP CCc1cnc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC001461049426 937561644 /nfs/dbraw/zinc/56/16/44/937561644.db2.gz CJVBGGLVSZIAAH-CQSZACIVSA-N 2 1 295.496 3.307 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnsc2)c1 ZINC001461229434 937570876 /nfs/dbraw/zinc/57/08/76/937570876.db2.gz FVIXTSXVMWOVED-UHFFFAOYSA-N 2 1 289.448 3.273 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2NC)C1 ZINC001461844300 937600913 /nfs/dbraw/zinc/60/09/13/937600913.db2.gz NPMPNHTVHFCDAW-MRXNPFEDSA-N 2 1 289.467 3.200 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2NC)C1 ZINC001461844300 937600916 /nfs/dbraw/zinc/60/09/16/937600916.db2.gz NPMPNHTVHFCDAW-MRXNPFEDSA-N 2 1 289.467 3.200 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2NC)C1 ZINC001461844300 937600919 /nfs/dbraw/zinc/60/09/19/937600919.db2.gz NPMPNHTVHFCDAW-MRXNPFEDSA-N 2 1 289.467 3.200 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC001462188304 937622711 /nfs/dbraw/zinc/62/27/11/937622711.db2.gz BWFSHEMWVGDFID-STQMWFEESA-N 2 1 280.378 3.427 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001462304606 937631090 /nfs/dbraw/zinc/63/10/90/937631090.db2.gz LXCCGTJGEQMTKL-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001462304606 937631091 /nfs/dbraw/zinc/63/10/91/937631091.db2.gz LXCCGTJGEQMTKL-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC(CC)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336887930 932824826 /nfs/dbraw/zinc/82/48/26/932824826.db2.gz GGRBMFVFVFPIOF-JYJNAYRXSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@@H](C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001307498155 932961910 /nfs/dbraw/zinc/96/19/10/932961910.db2.gz GLFPUSRTSZICMW-CVEARBPZSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[C@@H](C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001307498155 932961915 /nfs/dbraw/zinc/96/19/15/932961915.db2.gz GLFPUSRTSZICMW-CVEARBPZSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[C@@H](C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001307498155 932961921 /nfs/dbraw/zinc/96/19/21/932961921.db2.gz GLFPUSRTSZICMW-CVEARBPZSA-N 2 1 254.462 3.475 20 0 CGADMP CC1CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001308293008 933090427 /nfs/dbraw/zinc/09/04/27/933090427.db2.gz PADQPSRNLTUBHE-BDVYOWHSSA-N 2 1 264.457 3.419 20 0 CGADMP CC1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001308293008 933090430 /nfs/dbraw/zinc/09/04/30/933090430.db2.gz PADQPSRNLTUBHE-BDVYOWHSSA-N 2 1 264.457 3.419 20 0 CGADMP C1=CC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001308470188 933116461 /nfs/dbraw/zinc/11/64/61/933116461.db2.gz BFWJXHZNLNRAEQ-HOTGVXAUSA-N 2 1 262.441 3.339 20 0 CGADMP C1=CC[C@H](C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001308470188 933116464 /nfs/dbraw/zinc/11/64/64/933116464.db2.gz BFWJXHZNLNRAEQ-HOTGVXAUSA-N 2 1 262.441 3.339 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308554334 933131756 /nfs/dbraw/zinc/13/17/56/933131756.db2.gz OGWOHJQVQZEZOB-QXCFHYIPSA-N 2 1 286.463 3.185 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)CC1 ZINC001308591267 933137655 /nfs/dbraw/zinc/13/76/55/933137655.db2.gz ONVZEBWEQBWCSK-KRWDZBQOSA-N 2 1 272.436 3.411 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCC(C)(C)SC ZINC001308798284 933179452 /nfs/dbraw/zinc/17/94/52/933179452.db2.gz YCEYQJCWSJGHOT-CYBMUJFWSA-N 2 1 260.491 3.228 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCC(C)(C)SC ZINC001308798284 933179455 /nfs/dbraw/zinc/17/94/55/933179455.db2.gz YCEYQJCWSJGHOT-CYBMUJFWSA-N 2 1 260.491 3.228 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CSC[C@H]1C)C1CCCCC1 ZINC001308850740 933189112 /nfs/dbraw/zinc/18/91/12/933189112.db2.gz KAHHLAODZLSPHH-ZBFHGGJFSA-N 2 1 284.513 3.372 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@H]1C[C@@H]1C)C1CCCCC1 ZINC001308851544 933190153 /nfs/dbraw/zinc/19/01/53/933190153.db2.gz QOGNFYCFSXCLPX-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc2c1CCC2 ZINC001308970010 933218077 /nfs/dbraw/zinc/21/80/77/933218077.db2.gz ZKMITVBPWGHLMF-UHFFFAOYSA-N 2 1 274.452 3.195 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCC34CCCCC4)[C@H]2C1 ZINC001308985034 933222859 /nfs/dbraw/zinc/22/28/59/933222859.db2.gz VYGZNAREOZFYRV-LUKYLMHMSA-N 2 1 276.468 3.419 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CC1 ZINC001474670068 933643326 /nfs/dbraw/zinc/64/33/26/933643326.db2.gz AWNXNARTIBGMKX-XJKSGUPXSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CC1 ZINC001474670068 933643331 /nfs/dbraw/zinc/64/33/31/933643331.db2.gz AWNXNARTIBGMKX-XJKSGUPXSA-N 2 1 250.430 3.172 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC(Nc2ccccc2)CC1 ZINC001320746101 934098115 /nfs/dbraw/zinc/09/81/15/934098115.db2.gz OAGWIXSRSCNEDY-UHFFFAOYSA-N 2 1 289.467 3.295 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001323474974 934399501 /nfs/dbraw/zinc/39/95/01/934399501.db2.gz FSCGYBBFFUZXHO-USXIJHARSA-N 2 1 288.435 3.015 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001324423228 934501034 /nfs/dbraw/zinc/50/10/34/934501034.db2.gz AUULRADSODQNFM-FJBKBRRZSA-N 2 1 284.513 3.371 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](CC(C)C)OC)CC1 ZINC001473111517 937792707 /nfs/dbraw/zinc/79/27/07/937792707.db2.gz FOJGBLZXIZOUBT-GOSISDBHSA-N 2 1 298.515 3.491 20 0 CGADMP C[N@H+](C[C@@H]1CCCCC1(C)C)C[C@H]1CCC[NH+](C)C1 ZINC001473182363 937795968 /nfs/dbraw/zinc/79/59/68/937795968.db2.gz BOUOUGHVMLVPHD-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C[C@@H]1CCCCC1(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC001473182363 937795970 /nfs/dbraw/zinc/79/59/70/937795970.db2.gz BOUOUGHVMLVPHD-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C[C@@H]1CCCCC1(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC001473182363 937795972 /nfs/dbraw/zinc/79/59/72/937795972.db2.gz BOUOUGHVMLVPHD-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC001325742395 934926555 /nfs/dbraw/zinc/92/65/55/934926555.db2.gz DSHCYEFYEJKMSW-ZFWWWQNUSA-N 2 1 252.402 3.345 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC001326218766 934960482 /nfs/dbraw/zinc/96/04/82/934960482.db2.gz NDEAGHWZESYQFY-KFWWJZLASA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC001326604016 934993575 /nfs/dbraw/zinc/99/35/75/934993575.db2.gz BJYZZWWXQUEJPP-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC001326604016 934993578 /nfs/dbraw/zinc/99/35/78/934993578.db2.gz BJYZZWWXQUEJPP-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCC3CCCC3)C[C@]2(C)C1 ZINC001473689773 937817557 /nfs/dbraw/zinc/81/75/57/937817557.db2.gz NVIFMEACQYMWSO-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CCCC3CCCC3)C[C@]2(C)C1 ZINC001473689773 937817559 /nfs/dbraw/zinc/81/75/59/937817559.db2.gz NVIFMEACQYMWSO-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CCCC3CCCC3)C[C@]2(C)C1 ZINC001473689773 937817561 /nfs/dbraw/zinc/81/75/61/937817561.db2.gz NVIFMEACQYMWSO-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCC3CCCC3)C[C@]2(C)C1 ZINC001473689773 937817562 /nfs/dbraw/zinc/81/75/62/937817562.db2.gz NVIFMEACQYMWSO-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC001329021998 935179216 /nfs/dbraw/zinc/17/92/16/935179216.db2.gz BDJHCYPAWQSUIG-DOMZBBRYSA-N 2 1 296.842 3.450 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC001331286378 935365318 /nfs/dbraw/zinc/36/53/18/935365318.db2.gz ANBOXDAYVDMLFB-HUUCEWRRSA-N 2 1 264.438 3.021 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCCC(F)(F)F ZINC001333822966 936069434 /nfs/dbraw/zinc/06/94/34/936069434.db2.gz OTSRYXNCKCJKBG-NSHDSACASA-N 2 1 254.340 3.039 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCCC(F)(F)F ZINC001333822966 936069437 /nfs/dbraw/zinc/06/94/37/936069437.db2.gz OTSRYXNCKCJKBG-NSHDSACASA-N 2 1 254.340 3.039 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC001335972806 936170196 /nfs/dbraw/zinc/17/01/96/936170196.db2.gz OTWWTZHDTNWENJ-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC001335972806 936170198 /nfs/dbraw/zinc/17/01/98/936170198.db2.gz OTWWTZHDTNWENJ-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001474005028 937835294 /nfs/dbraw/zinc/83/52/94/937835294.db2.gz LPVVJLQYUVPPAT-DLBZAZTESA-N 2 1 296.499 3.029 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCOCC1 ZINC001474031605 937836815 /nfs/dbraw/zinc/83/68/15/937836815.db2.gz PYKIDHVCTSTAGV-QGZVFWFLSA-N 2 1 294.483 3.047 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC001474031605 937836817 /nfs/dbraw/zinc/83/68/17/937836817.db2.gz PYKIDHVCTSTAGV-QGZVFWFLSA-N 2 1 294.483 3.047 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001474199712 937843719 /nfs/dbraw/zinc/84/37/19/937843719.db2.gz LFNNSRCTEIMHBB-UHFFFAOYSA-N 2 1 274.452 3.243 20 0 CGADMP Cc1cc(C)cc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC001474320527 937851471 /nfs/dbraw/zinc/85/14/71/937851471.db2.gz IKYOXVIFSJHPMW-RTBURBONSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001474320527 937851474 /nfs/dbraw/zinc/85/14/74/937851474.db2.gz IKYOXVIFSJHPMW-RTBURBONSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001474320527 937851476 /nfs/dbraw/zinc/85/14/76/937851476.db2.gz IKYOXVIFSJHPMW-RTBURBONSA-N 2 1 286.463 3.262 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1(C)C ZINC001474628195 937871590 /nfs/dbraw/zinc/87/15/90/937871590.db2.gz AOTXAPIVHPYUOQ-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3ccsc32)C1 ZINC001549546926 938157843 /nfs/dbraw/zinc/15/78/43/938157843.db2.gz OAGQTRQGLRETEQ-OCCSQVGLSA-N 2 1 264.438 3.057 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)sc1C ZINC001550352863 938166247 /nfs/dbraw/zinc/16/62/47/938166247.db2.gz GYQNXCXAKZTJKU-UGFHNGPFSA-N 2 1 293.480 3.142 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)sc1C ZINC001550352863 938166248 /nfs/dbraw/zinc/16/62/48/938166248.db2.gz GYQNXCXAKZTJKU-UGFHNGPFSA-N 2 1 293.480 3.142 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001553016387 938195805 /nfs/dbraw/zinc/19/58/05/938195805.db2.gz SUJQITPBNLROGS-RYRKJORJSA-N 2 1 272.436 3.241 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C/C=C/c1c(C)cc(C)cc1C ZINC001560299059 938251691 /nfs/dbraw/zinc/25/16/91/938251691.db2.gz GHCSPSHNLSQVSU-AATRIKPKSA-N 2 1 283.419 3.420 20 0 CGADMP CCC(CC)(C[NH2+]Cc1c[nH+]ccc1N(C)C)SC ZINC001560357702 938254977 /nfs/dbraw/zinc/25/49/77/938254977.db2.gz UYBGCYQDQRJUCG-UHFFFAOYSA-N 2 1 281.469 3.159 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC001560465217 938259369 /nfs/dbraw/zinc/25/93/69/938259369.db2.gz LILVEHPRSLEQMZ-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC001560465217 938259370 /nfs/dbraw/zinc/25/93/70/938259370.db2.gz LILVEHPRSLEQMZ-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP CCS[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](CC)CC2)C1 ZINC001560676412 938269888 /nfs/dbraw/zinc/26/98/88/938269888.db2.gz CAKXKMNEGXCEKZ-HOTGVXAUSA-N 2 1 284.513 3.324 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](CC)CCC[NH+](C)C ZINC001560811281 938277347 /nfs/dbraw/zinc/27/73/47/938277347.db2.gz DWZIZHPONHORKI-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC001560929172 938284257 /nfs/dbraw/zinc/28/42/57/938284257.db2.gz PNBQTYCBIAXNNG-KRWDZBQOSA-N 2 1 274.452 3.308 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1C ZINC001560929172 938284258 /nfs/dbraw/zinc/28/42/58/938284258.db2.gz PNBQTYCBIAXNNG-KRWDZBQOSA-N 2 1 274.452 3.308 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC001561028927 938290187 /nfs/dbraw/zinc/29/01/87/938290187.db2.gz ZKULBJOTJRAGEU-UNEWFSDZSA-N 2 1 292.854 3.327 20 0 CGADMP C[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC001561028927 938290188 /nfs/dbraw/zinc/29/01/88/938290188.db2.gz ZKULBJOTJRAGEU-UNEWFSDZSA-N 2 1 292.854 3.327 20 0 CGADMP C[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC001561028927 938290189 /nfs/dbraw/zinc/29/01/89/938290189.db2.gz ZKULBJOTJRAGEU-UNEWFSDZSA-N 2 1 292.854 3.327 20 0 CGADMP C[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1cccc(Cl)c1 ZINC001561028927 938290190 /nfs/dbraw/zinc/29/01/90/938290190.db2.gz ZKULBJOTJRAGEU-UNEWFSDZSA-N 2 1 292.854 3.327 20 0 CGADMP Cc1cc(F)cc(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257206171 960427124 /nfs/dbraw/zinc/42/71/24/960427124.db2.gz UNYBIICOPJHSCF-UHFFFAOYSA-N 2 1 278.415 3.405 20 0 CGADMP CCC(CC)C[N@@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001577069655 960479848 /nfs/dbraw/zinc/47/98/48/960479848.db2.gz PAXUPPZDEYPJMM-UHFFFAOYSA-N 2 1 275.440 3.072 20 0 CGADMP CC(C)([NH3+])C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC001575354554 962367337 /nfs/dbraw/zinc/36/73/37/962367337.db2.gz ZTFXISLYEFMFOY-UHFFFAOYSA-N 2 1 289.398 3.224 20 0 CGADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cc(F)ccc1N(C)C ZINC001575934486 962418253 /nfs/dbraw/zinc/41/82/53/962418253.db2.gz QJZPRNCUKIXXMW-UMVBOHGHSA-N 2 1 293.430 3.073 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001576380719 962458470 /nfs/dbraw/zinc/45/84/70/962458470.db2.gz XIPNFURUTGONBQ-SJORKVTESA-N 2 1 299.393 3.103 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC001576503657 962463595 /nfs/dbraw/zinc/46/35/95/962463595.db2.gz UUFBQFWXWKVTCJ-MRXNPFEDSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC001576503657 962463604 /nfs/dbraw/zinc/46/36/04/962463604.db2.gz UUFBQFWXWKVTCJ-MRXNPFEDSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCC[NH2+]C1 ZINC001576503094 962467504 /nfs/dbraw/zinc/46/75/04/962467504.db2.gz LSSBMXKZJWKUPP-MSOLQXFVSA-N 2 1 290.426 3.222 20 0 CGADMP CC1([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[NH2+]CC1 ZINC001576545999 962468408 /nfs/dbraw/zinc/46/84/08/962468408.db2.gz XFRMJKJZUKFZDA-UHFFFAOYSA-N 2 1 288.366 3.317 20 0 CGADMP CCC(C)(C)CC[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576941356 962502182 /nfs/dbraw/zinc/50/21/82/962502182.db2.gz FXWDOJZJXNVYSK-HOCLYGCPSA-N 2 1 252.446 3.264 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC001577096629 962506262 /nfs/dbraw/zinc/50/62/62/962506262.db2.gz SKJZXXMBMOIUCA-CABCVRRESA-N 2 1 280.843 3.249 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(OCC(C)C)c2)CC[C@@H]1[NH3+] ZINC001577279252 962523571 /nfs/dbraw/zinc/52/35/71/962523571.db2.gz AYRDBZJCRVPZAW-WMZOPIPTSA-N 2 1 290.451 3.281 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2OC)CC[C@H]1[NH3+] ZINC001577279415 962525218 /nfs/dbraw/zinc/52/52/18/962525218.db2.gz GLWVHMLPIIOOGT-RDTXWAMCSA-N 2 1 298.430 3.408 20 0 CGADMP CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001577345034 962527163 /nfs/dbraw/zinc/52/71/63/962527163.db2.gz KISNUFLBMYXFPP-NOLJZWGESA-N 2 1 294.414 3.058 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001577374782 962538876 /nfs/dbraw/zinc/53/88/76/962538876.db2.gz GCPHFHUSIDBHHC-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC001577463073 962548435 /nfs/dbraw/zinc/54/84/35/962548435.db2.gz JIIBWDIDGFPDKP-LZLYRXPVSA-N 2 1 296.499 3.292 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH3+])c2)C1 ZINC001578215050 962578698 /nfs/dbraw/zinc/57/86/98/962578698.db2.gz PFWFOAYFUPBNAG-CVEARBPZSA-N 2 1 278.465 3.251 20 0 CGADMP CCc1nc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cs1 ZINC001578289967 962586876 /nfs/dbraw/zinc/58/68/76/962586876.db2.gz KOPHSIGOIQXTLL-NSHDSACASA-N 2 1 275.421 3.015 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CCCC[NH2+]C1 ZINC001578489343 962595103 /nfs/dbraw/zinc/59/51/03/962595103.db2.gz IOERIGSHKFMMSB-CYBMUJFWSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CCCC[NH2+]C1 ZINC001578489343 962595112 /nfs/dbraw/zinc/59/51/12/962595112.db2.gz IOERIGSHKFMMSB-CYBMUJFWSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H]([NH2+]C[C@]12C[C@H]1C[NH2+]C2)c1ccc(Cl)cc1Cl ZINC001579485875 962628894 /nfs/dbraw/zinc/62/88/94/962628894.db2.gz VMJUTXSKFRINDC-PKFCDNJMSA-N 2 1 285.218 3.254 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(F)cc1Cl ZINC001579485763 962631587 /nfs/dbraw/zinc/63/15/87/962631587.db2.gz NLFWCOXGWKQJJC-QCZZGDTMSA-N 2 1 282.790 3.400 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CCO1 ZINC001579470806 962632462 /nfs/dbraw/zinc/63/24/62/962632462.db2.gz GQAVVGUTEIOIFM-ATLSCFEFSA-N 2 1 294.483 3.174 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC001579581543 962640249 /nfs/dbraw/zinc/64/02/49/962640249.db2.gz ZIKKDQUCMSPXIL-IRXDYDNUSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC001579581543 962640266 /nfs/dbraw/zinc/64/02/66/962640266.db2.gz ZIKKDQUCMSPXIL-IRXDYDNUSA-N 2 1 258.409 3.007 20 0 CGADMP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC001580031098 962685316 /nfs/dbraw/zinc/68/53/16/962685316.db2.gz UQDDRMRXTSUICU-MPXGXIRNSA-N 2 1 292.373 3.054 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC001580031098 962685325 /nfs/dbraw/zinc/68/53/25/962685325.db2.gz UQDDRMRXTSUICU-MPXGXIRNSA-N 2 1 292.373 3.054 20 0 CGADMP Clc1ccc(C2([NH2+]C[C@@]34C[C@@H]3C[NH2+]C4)CC2)cc1Cl ZINC001579938726 962689104 /nfs/dbraw/zinc/68/91/04/962689104.db2.gz ZMQZIBWFOXVUOE-RISCZKNCSA-N 2 1 297.229 3.182 20 0 CGADMP Clc1cccc([C@@H]2CCCC[N@@H+]2CC2C[NH2+]C2)c1 ZINC001579938716 962690629 /nfs/dbraw/zinc/69/06/29/962690629.db2.gz JVPQNPDVXQDMOD-HNNXBMFYSA-N 2 1 264.800 3.086 20 0 CGADMP Clc1cccc([C@@H]2CCCC[N@H+]2CC2C[NH2+]C2)c1 ZINC001579938716 962690639 /nfs/dbraw/zinc/69/06/39/962690639.db2.gz JVPQNPDVXQDMOD-HNNXBMFYSA-N 2 1 264.800 3.086 20 0 CGADMP Fc1cccc(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC001580033318 962691422 /nfs/dbraw/zinc/69/14/22/962691422.db2.gz HRHLPFIVGLKYTD-QGZVFWFLSA-N 2 1 290.426 3.080 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001580169564 962693587 /nfs/dbraw/zinc/69/35/87/962693587.db2.gz HNPFMDRAASMAIH-LOHUMSBYSA-N 2 1 276.811 3.139 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)CC(F)F ZINC001580132890 962699767 /nfs/dbraw/zinc/69/97/67/962699767.db2.gz RFLRSZCGYMRUDD-UBHSHLNASA-N 2 1 286.341 3.034 20 0 CGADMP [NH3+]CC1([NH2+]CCCc2ccc(F)c(F)c2)CCCCC1 ZINC001580245489 962702639 /nfs/dbraw/zinc/70/26/39/962702639.db2.gz YCKOJPGRBWKZFD-UHFFFAOYSA-N 2 1 282.378 3.149 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC001580287408 962711054 /nfs/dbraw/zinc/71/10/54/962711054.db2.gz UIIFJAGCRBSXSQ-NSHDSACASA-N 2 1 293.798 3.042 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2CC2CCC2)C1 ZINC001580387159 962715053 /nfs/dbraw/zinc/71/50/53/962715053.db2.gz ONGXZVCEABBOET-XHSDSOJGSA-N 2 1 250.430 3.159 20 0 CGADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001580297724 962717571 /nfs/dbraw/zinc/71/75/71/962717571.db2.gz YWOPNQUNGOJPKQ-ZACQAIPSSA-N 2 1 264.457 3.264 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC1 ZINC000651228826 398219068 /nfs/dbraw/zinc/21/90/68/398219068.db2.gz ISUFFYZNDLEQHE-QZTJIDSGSA-N 2 1 294.483 3.188 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000337520375 214136950 /nfs/dbraw/zinc/13/69/50/214136950.db2.gz XONKEOUTAWHQQW-QGZVFWFLSA-N 2 1 290.451 3.174 20 0 CGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC000651468049 398249900 /nfs/dbraw/zinc/24/99/00/398249900.db2.gz UBCZXWCJVIKNCU-AGUYFDCRSA-N 2 1 294.826 3.063 20 0 CGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000651468049 398249901 /nfs/dbraw/zinc/24/99/01/398249901.db2.gz UBCZXWCJVIKNCU-AGUYFDCRSA-N 2 1 294.826 3.063 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@H]1CCOc2ccccc21)C1CC1 ZINC000651599753 398257394 /nfs/dbraw/zinc/25/73/94/398257394.db2.gz GTGYZKUJVDYLCQ-OAHLLOKOSA-N 2 1 288.435 3.017 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000621784330 349585946 /nfs/dbraw/zinc/58/59/46/349585946.db2.gz NJFVVOWQAXCKAS-XKQJLSEDSA-N 2 1 274.383 3.016 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2C)C1 ZINC000651686260 398268901 /nfs/dbraw/zinc/26/89/01/398268901.db2.gz VYMITGKQJZLFKE-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000651706243 398272452 /nfs/dbraw/zinc/27/24/52/398272452.db2.gz XYWBWFFDKBFPIA-JKSUJKDBSA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651911497 398305954 /nfs/dbraw/zinc/30/59/54/398305954.db2.gz BUUJJNVUWCGIGB-GBJTYRQASA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccs1 ZINC000338025439 214367706 /nfs/dbraw/zinc/36/77/06/214367706.db2.gz HQHUYXSDMJMTSX-CYBMUJFWSA-N 2 1 263.410 3.384 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423459409 529453820 /nfs/dbraw/zinc/45/38/20/529453820.db2.gz HZABVGUIWSWKFV-KBPBESRZSA-N 2 1 286.341 3.483 20 0 CGADMP CC[C@H](F)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000440494110 529438401 /nfs/dbraw/zinc/43/84/01/529438401.db2.gz ZPQJULSSQAEUSE-HYVNUMGLSA-N 2 1 278.415 3.235 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423297866 282955207 /nfs/dbraw/zinc/95/52/07/282955207.db2.gz MFHFIUBFFMPJNN-IAGOWNOFSA-N 2 1 280.431 3.500 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000125978368 187209209 /nfs/dbraw/zinc/20/92/09/187209209.db2.gz MEJXULAPVQZJDZ-GJZGRUSLSA-N 2 1 264.413 3.359 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000125978368 187209211 /nfs/dbraw/zinc/20/92/11/187209211.db2.gz MEJXULAPVQZJDZ-GJZGRUSLSA-N 2 1 264.413 3.359 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000448554101 282205521 /nfs/dbraw/zinc/20/55/21/282205521.db2.gz IEXQQZZDVUIQOO-HNNXBMFYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000448554101 282205522 /nfs/dbraw/zinc/20/55/22/282205522.db2.gz IEXQQZZDVUIQOO-HNNXBMFYSA-N 2 1 263.429 3.340 20 0 CGADMP C[C@@H](C[NH2+]CCc1c[nH+]cn1C)CC1CCCCC1 ZINC000623086386 349757720 /nfs/dbraw/zinc/75/77/20/349757720.db2.gz NEWCEWLCCGJJDS-CQSZACIVSA-N 2 1 263.429 3.159 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000423325194 529621487 /nfs/dbraw/zinc/62/14/87/529621487.db2.gz BNWTVYXNWKRFEO-FZMZJTMJSA-N 2 1 297.240 3.099 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000312112106 282210395 /nfs/dbraw/zinc/21/03/95/282210395.db2.gz MXMDGXWUXPTHRO-GWCFXTLKSA-N 2 1 293.461 3.468 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(Cl)c1 ZINC000423279347 529654704 /nfs/dbraw/zinc/65/47/04/529654704.db2.gz RLLPYMDQJOYDAB-KBPBESRZSA-N 2 1 252.789 3.118 20 0 CGADMP CC(C)Oc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623354497 349786572 /nfs/dbraw/zinc/78/65/72/349786572.db2.gz XHMAUGHQYJKLGL-MRXNPFEDSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623354497 349786577 /nfs/dbraw/zinc/78/65/77/349786577.db2.gz XHMAUGHQYJKLGL-MRXNPFEDSA-N 2 1 290.451 3.436 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc3cccnc32)CC1(C)C ZINC000623352084 349786697 /nfs/dbraw/zinc/78/66/97/349786697.db2.gz OOLFTQLYFGQTIL-KRWDZBQOSA-N 2 1 297.446 3.240 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623375023 349793556 /nfs/dbraw/zinc/79/35/56/349793556.db2.gz ZMFWJWKEACUUGQ-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)CC1(C)C ZINC000623381902 349794877 /nfs/dbraw/zinc/79/48/77/349794877.db2.gz NRTHPFGUWOLYEU-MLGOLLRUSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)CC1(C)C ZINC000623381902 349794882 /nfs/dbraw/zinc/79/48/82/349794882.db2.gz NRTHPFGUWOLYEU-MLGOLLRUSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)CC1(C)C ZINC000623387467 349795884 /nfs/dbraw/zinc/79/58/84/349795884.db2.gz DVDVHWXRZYMMGJ-GDBMZVCRSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405860 349800494 /nfs/dbraw/zinc/80/04/94/349800494.db2.gz AQBQVNFBKDQBPQ-WMLDXEAASA-N 2 1 272.436 3.445 20 0 CGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000181274334 282244721 /nfs/dbraw/zinc/24/47/21/282244721.db2.gz QXGZSCJKRJWOHK-SIXLDLHFSA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000181274334 282244723 /nfs/dbraw/zinc/24/47/23/282244723.db2.gz QXGZSCJKRJWOHK-SIXLDLHFSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C(C)C)C1CCC1 ZINC000346200177 282250500 /nfs/dbraw/zinc/25/05/00/282250500.db2.gz LLULSHYSIZLXGV-UHFFFAOYSA-N 2 1 284.407 3.339 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)CC1(C)C ZINC000346167425 282251753 /nfs/dbraw/zinc/25/17/53/282251753.db2.gz KHYAUCQDMJIBDH-CYBMUJFWSA-N 2 1 284.407 3.196 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427893 349805974 /nfs/dbraw/zinc/80/59/74/349805974.db2.gz QGVNCWKWZLEQFU-HNNXBMFYSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427893 349805977 /nfs/dbraw/zinc/80/59/77/349805977.db2.gz QGVNCWKWZLEQFU-HNNXBMFYSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)CC1(C)C ZINC000623454182 349812888 /nfs/dbraw/zinc/81/28/88/349812888.db2.gz XISKGAOGXCKUAK-NEPJUHHUSA-N 2 1 260.372 3.027 20 0 CGADMP C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478212 349816903 /nfs/dbraw/zinc/81/69/03/349816903.db2.gz DDAIWOKNGHZLOV-VXGBXAGGSA-N 2 1 282.378 3.488 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CC([NH3+])(CC)CC)s1 ZINC000423288076 529728932 /nfs/dbraw/zinc/72/89/32/529728932.db2.gz QKEBOPVOWAHDCY-SNVBAGLBSA-N 2 1 269.458 3.182 20 0 CGADMP CC[C@]1(C)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351329111 219090426 /nfs/dbraw/zinc/09/04/26/219090426.db2.gz OJEJPQIVKMBAOP-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@]1(C)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351329111 219090428 /nfs/dbraw/zinc/09/04/28/219090428.db2.gz OJEJPQIVKMBAOP-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@]1(C)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351329111 219090429 /nfs/dbraw/zinc/09/04/29/219090429.db2.gz OJEJPQIVKMBAOP-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)CCC2 ZINC000423501890 529747915 /nfs/dbraw/zinc/74/79/15/529747915.db2.gz LNSUDWNXTMRQAY-TZMCWYRMSA-N 2 1 293.480 3.190 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC1(C)C ZINC000623512724 349824401 /nfs/dbraw/zinc/82/44/01/349824401.db2.gz SCCKERBPEXFRHT-BRWVUGGUSA-N 2 1 272.436 3.395 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(F)(F)F)CC1(C)C ZINC000623515994 349825278 /nfs/dbraw/zinc/82/52/78/349825278.db2.gz ZCDPMQKMDLSFBR-JTQLQIEISA-N 2 1 266.351 3.037 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)CC1(C)C ZINC000623514619 349825505 /nfs/dbraw/zinc/82/55/05/349825505.db2.gz VIZVLCBBRGXGLM-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)c1ccccc1 ZINC000295064098 199326872 /nfs/dbraw/zinc/32/68/72/199326872.db2.gz QLOJJSZZGQNUML-IZVVFDKHSA-N 2 1 272.436 3.393 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2(C3CCC3)CCC2)CC1(C)C ZINC000623547743 349831200 /nfs/dbraw/zinc/83/12/00/349831200.db2.gz AGZKLXGDSWEOMS-AWEZNQCLSA-N 2 1 250.430 3.172 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657349 349859951 /nfs/dbraw/zinc/85/99/51/349859951.db2.gz OJSVMKIYSVTGKD-YESZJQIVSA-N 2 1 264.457 3.300 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000128115947 187351624 /nfs/dbraw/zinc/35/16/24/187351624.db2.gz BTDCUYVWSOGPLD-UHFFFAOYSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCCCO1 ZINC000623855681 349897087 /nfs/dbraw/zinc/89/70/87/349897087.db2.gz FQYLFOWJZRKZQX-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP CCCO[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000351602334 219141409 /nfs/dbraw/zinc/14/14/09/219141409.db2.gz YNJILHPRKQVFPD-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP CCCO[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351602334 219141412 /nfs/dbraw/zinc/14/14/12/219141412.db2.gz YNJILHPRKQVFPD-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP CCCO[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351602334 219141413 /nfs/dbraw/zinc/14/14/13/219141413.db2.gz YNJILHPRKQVFPD-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C(C1CC1)C1CC1 ZINC000036984058 344946266 /nfs/dbraw/zinc/94/62/66/344946266.db2.gz LUFRDZBFADBCTE-CYBMUJFWSA-N 2 1 250.430 3.029 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070171667 345388836 /nfs/dbraw/zinc/38/88/36/345388836.db2.gz IIFGHTVKOWEAMX-ZBFHGGJFSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000123927028 232188130 /nfs/dbraw/zinc/18/81/30/232188130.db2.gz CWKDAXWMLQMVLU-WBVHZDCISA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000123927028 232188133 /nfs/dbraw/zinc/18/81/33/232188133.db2.gz CWKDAXWMLQMVLU-WBVHZDCISA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c2ccccc2n1 ZINC000123927028 232188135 /nfs/dbraw/zinc/18/81/35/232188135.db2.gz CWKDAXWMLQMVLU-WBVHZDCISA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c2ccccc2n1 ZINC000123927028 232188136 /nfs/dbraw/zinc/18/81/36/232188136.db2.gz CWKDAXWMLQMVLU-WBVHZDCISA-N 2 1 297.446 3.458 20 0 CGADMP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000078575893 345613543 /nfs/dbraw/zinc/61/35/43/345613543.db2.gz CAQLSQJZWVPPJV-GFCCVEGCSA-N 2 1 275.421 3.217 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000086907456 345751090 /nfs/dbraw/zinc/75/10/90/345751090.db2.gz MSDHUHLVUSFUKH-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+](C)CCNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000091461311 345815102 /nfs/dbraw/zinc/81/51/02/345815102.db2.gz AIQXLGZUDFAASB-UHFFFAOYSA-N 2 1 261.344 3.046 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000089597320 345771623 /nfs/dbraw/zinc/77/16/23/345771623.db2.gz NQVWGORUHZCVSV-WBVHZDCISA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000157966408 232234889 /nfs/dbraw/zinc/23/48/89/232234889.db2.gz UQRCFPGCESLGHO-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000113514902 345960935 /nfs/dbraw/zinc/96/09/35/345960935.db2.gz RTAPLQBITWJEJQ-MRXNPFEDSA-N 2 1 274.452 3.368 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)sc1C ZINC000176325234 232334553 /nfs/dbraw/zinc/33/45/53/232334553.db2.gz GBMPLWFAASHASV-UHFFFAOYSA-N 2 1 293.480 3.068 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccncc2C)c1 ZINC000295142713 199369226 /nfs/dbraw/zinc/36/92/26/199369226.db2.gz IYIDUWTXUSSAON-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000250487084 346385553 /nfs/dbraw/zinc/38/55/53/346385553.db2.gz FDFFPLXVIIHZTI-HOTGVXAUSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1sc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)nc1C(C)C ZINC000422702656 282478086 /nfs/dbraw/zinc/47/80/86/282478086.db2.gz FPFIAWLCFYIOPC-YPMHNXCESA-N 2 1 281.469 3.053 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000311466003 346473864 /nfs/dbraw/zinc/47/38/64/346473864.db2.gz XDCYMLZKKZPPML-JKIFEVAISA-N 2 1 258.409 3.166 20 0 CGADMP CSCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000586788257 346735419 /nfs/dbraw/zinc/73/54/19/346735419.db2.gz BZIVFIXTOGHCQW-UHFFFAOYSA-N 2 1 292.492 3.382 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000588177783 346754406 /nfs/dbraw/zinc/75/44/06/346754406.db2.gz HONMGOUNOJATQN-ARBVUSPFSA-N 2 1 270.420 3.306 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000351852275 219226116 /nfs/dbraw/zinc/22/61/16/219226116.db2.gz MHMDJICSMHYCNV-HUUCEWRRSA-N 2 1 278.465 3.065 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624120642 349976379 /nfs/dbraw/zinc/97/63/79/349976379.db2.gz DDOREPXJCYBIKI-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1OC(F)F ZINC000128480403 535066090 /nfs/dbraw/zinc/06/60/90/535066090.db2.gz CXUDQHKVDGAJJN-CYBMUJFWSA-N 2 1 286.366 3.093 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OC(F)F ZINC000128480403 535066093 /nfs/dbraw/zinc/06/60/93/535066093.db2.gz CXUDQHKVDGAJJN-CYBMUJFWSA-N 2 1 286.366 3.093 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000624121432 349978640 /nfs/dbraw/zinc/97/86/40/349978640.db2.gz WHIHHVGYWJONSB-LSDHHAIUSA-N 2 1 288.435 3.099 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C12CCCC2 ZINC000624122256 349979738 /nfs/dbraw/zinc/97/97/38/349979738.db2.gz NFLOSRGQJSEXNH-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624120777 349978390 /nfs/dbraw/zinc/97/83/90/349978390.db2.gz GVIZGTNBWLCKDY-OCCSQVGLSA-N 2 1 295.496 3.396 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122132 349980693 /nfs/dbraw/zinc/98/06/93/349980693.db2.gz KMHHNGCTFATZLI-JYJNAYRXSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cn1 ZINC000624122294 349982057 /nfs/dbraw/zinc/98/20/57/349982057.db2.gz NWIQGNRCNXGYBR-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000624122294 349982060 /nfs/dbraw/zinc/98/20/60/349982060.db2.gz NWIQGNRCNXGYBR-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP Cc1ncsc1CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000606432888 348182011 /nfs/dbraw/zinc/18/20/11/348182011.db2.gz QQNYRTLHQAGPMV-UHFFFAOYSA-N 2 1 295.496 3.046 20 0 CGADMP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606447783 348184598 /nfs/dbraw/zinc/18/45/98/348184598.db2.gz RUWCNOQMOFCEIF-NVXWUHKLSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606447783 348184603 /nfs/dbraw/zinc/18/46/03/348184603.db2.gz RUWCNOQMOFCEIF-NVXWUHKLSA-N 2 1 273.424 3.093 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cs1 ZINC000624123236 349982781 /nfs/dbraw/zinc/98/27/81/349982781.db2.gz IHQSVDGZAAKHKE-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP CSCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000610467794 348383956 /nfs/dbraw/zinc/38/39/56/348383956.db2.gz MGGHHBHQDSKHLN-UHFFFAOYSA-N 2 1 280.481 3.097 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517158 233148453 /nfs/dbraw/zinc/14/84/53/233148453.db2.gz PFUGYLRYUZAJCI-QGZVFWFLSA-N 2 1 270.420 3.140 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC23CC3)[C@H]2CCC[C@@H]21 ZINC000624315971 350025814 /nfs/dbraw/zinc/02/58/14/350025814.db2.gz HTIOPAUMHMDWEV-FZKCQIBNSA-N 2 1 262.441 3.029 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000620762094 349422207 /nfs/dbraw/zinc/42/22/07/349422207.db2.gz FCWQFBUHYMBILU-SFHVURJKSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000271327691 191075123 /nfs/dbraw/zinc/07/51/23/191075123.db2.gz ABVKOTJAVYITMT-INIZCTEOSA-N 2 1 275.440 3.163 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cc(C)ccc1C ZINC000626020407 350249507 /nfs/dbraw/zinc/24/95/07/350249507.db2.gz KJLOCGRYGIDLEN-SJLPKXTDSA-N 2 1 292.467 3.045 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cc(C)ccc1C ZINC000626020407 350249511 /nfs/dbraw/zinc/24/95/11/350249511.db2.gz KJLOCGRYGIDLEN-SJLPKXTDSA-N 2 1 292.467 3.045 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2[nH]1 ZINC000628182056 350426239 /nfs/dbraw/zinc/42/62/39/350426239.db2.gz AZWRQUYXUZOLTC-INIZCTEOSA-N 2 1 283.419 3.086 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628494986 350561234 /nfs/dbraw/zinc/56/12/34/350561234.db2.gz FYINHPXQIXGQRW-RXYHWBRQSA-N 2 1 296.418 3.446 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628494986 350561237 /nfs/dbraw/zinc/56/12/37/350561237.db2.gz FYINHPXQIXGQRW-RXYHWBRQSA-N 2 1 296.418 3.446 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000629528390 350703275 /nfs/dbraw/zinc/70/32/75/350703275.db2.gz YCZIJVVPFKATBV-XFBWCDHKSA-N 2 1 282.378 3.016 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000629536864 350705844 /nfs/dbraw/zinc/70/58/44/350705844.db2.gz GRSVUFJKTCXSOE-JLSDUUJJSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1(c2ccccc2)CCCC1 ZINC000629546655 350710575 /nfs/dbraw/zinc/71/05/75/350710575.db2.gz VMCDJRGLKQUYKT-ZMSDIMECSA-N 2 1 272.436 3.227 20 0 CGADMP CC[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000629551476 350711834 /nfs/dbraw/zinc/71/18/34/350711834.db2.gz UGKQWCVXOOOWDC-NEPJUHHUSA-N 2 1 278.362 3.229 20 0 CGADMP C/C=C/C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000629595317 350716739 /nfs/dbraw/zinc/71/67/39/350716739.db2.gz MRLPJSWFTUPMOH-KZSQQDEKSA-N 2 1 250.430 3.054 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629395843 350688629 /nfs/dbraw/zinc/68/86/29/350688629.db2.gz GLNBJLWPGLNBGN-ZOBUZTSGSA-N 2 1 260.425 3.046 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629415458 350690921 /nfs/dbraw/zinc/69/09/21/350690921.db2.gz QPFRKQLDOQVIJU-USXIJHARSA-N 2 1 260.425 3.046 20 0 CGADMP CCC[C@@H](C)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629516362 350699671 /nfs/dbraw/zinc/69/96/71/350699671.db2.gz BPDPTKHXWPWZBD-JZWPEALZSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]C1 ZINC000629649617 350730275 /nfs/dbraw/zinc/73/02/75/350730275.db2.gz DMNKAFXVPUVOGW-WMLDXEAASA-N 2 1 294.389 3.144 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]C1 ZINC000629649617 350730281 /nfs/dbraw/zinc/73/02/81/350730281.db2.gz DMNKAFXVPUVOGW-WMLDXEAASA-N 2 1 294.389 3.144 20 0 CGADMP Cc1cc(C)c(COc2ccc3c(c2)OCC[NH2+]C3)c(C)[nH+]1 ZINC000630505349 350849449 /nfs/dbraw/zinc/84/94/49/350849449.db2.gz WLPWGWGXRICMBQ-UHFFFAOYSA-N 2 1 298.386 3.068 20 0 CGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631658787 351108445 /nfs/dbraw/zinc/10/84/45/351108445.db2.gz NLQVFQRLLJHCRX-DZGCQCFKSA-N 2 1 270.436 3.367 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631566676 351068802 /nfs/dbraw/zinc/06/88/02/351068802.db2.gz RPRKOVUQIFMQMN-SFHVURJKSA-N 2 1 287.451 3.169 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(Cl)c2)C1 ZINC000291441002 198022455 /nfs/dbraw/zinc/02/24/55/198022455.db2.gz KMULKYVLYNIINS-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(Cl)c2)C1 ZINC000291441002 198022457 /nfs/dbraw/zinc/02/24/57/198022457.db2.gz KMULKYVLYNIINS-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000291441002 198022458 /nfs/dbraw/zinc/02/24/58/198022458.db2.gz KMULKYVLYNIINS-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000291441002 198022460 /nfs/dbraw/zinc/02/24/60/198022460.db2.gz KMULKYVLYNIINS-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP CC(C)C[N@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCCc2cccnc21 ZINC000634994926 351619377 /nfs/dbraw/zinc/61/93/77/351619377.db2.gz QEZMFBLRWARQMA-URSIVYNOSA-N 2 1 299.462 3.169 20 0 CGADMP CC(C)C[N@@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCCc2cccnc21 ZINC000634994926 351619379 /nfs/dbraw/zinc/61/93/79/351619379.db2.gz QEZMFBLRWARQMA-URSIVYNOSA-N 2 1 299.462 3.169 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1F ZINC000635010255 351628457 /nfs/dbraw/zinc/62/84/57/351628457.db2.gz RHTMVJXFFDPZSW-NUEKZKHPSA-N 2 1 294.389 3.365 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012815 351630544 /nfs/dbraw/zinc/63/05/44/351630544.db2.gz VRBKPZZFEWIPCQ-DZGCQCFKSA-N 2 1 275.440 3.073 20 0 CGADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCc3occc32)CC1 ZINC000122086077 187014306 /nfs/dbraw/zinc/01/43/06/187014306.db2.gz GYCINGKCPJSOSI-INIZCTEOSA-N 2 1 276.424 3.369 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000365632412 234118263 /nfs/dbraw/zinc/11/82/63/234118263.db2.gz SUARCUGWXRSUID-QGZVFWFLSA-N 2 1 283.419 3.417 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000336467478 213334564 /nfs/dbraw/zinc/33/45/64/213334564.db2.gz HRJMLMGBTBPGDN-UHFFFAOYSA-N 2 1 260.406 3.085 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155689 198184771 /nfs/dbraw/zinc/18/47/71/198184771.db2.gz OCAYZTHIMZAZLI-INIZCTEOSA-N 2 1 280.362 3.152 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155689 198184773 /nfs/dbraw/zinc/18/47/73/198184773.db2.gz OCAYZTHIMZAZLI-INIZCTEOSA-N 2 1 280.362 3.152 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155689 198184775 /nfs/dbraw/zinc/18/47/75/198184775.db2.gz OCAYZTHIMZAZLI-INIZCTEOSA-N 2 1 280.362 3.152 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155689 198184777 /nfs/dbraw/zinc/18/47/77/198184777.db2.gz OCAYZTHIMZAZLI-INIZCTEOSA-N 2 1 280.362 3.152 20 0 CGADMP Cc1cscc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367613451 234232051 /nfs/dbraw/zinc/23/20/51/234232051.db2.gz COOYERNALZIKMO-ZNMIVQPWSA-N 2 1 264.438 3.019 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000152406318 188016414 /nfs/dbraw/zinc/01/64/14/188016414.db2.gz HHRHAIXWENLMNK-PXAZEXFGSA-N 2 1 294.389 3.490 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000152406318 188016415 /nfs/dbraw/zinc/01/64/15/188016415.db2.gz HHRHAIXWENLMNK-PXAZEXFGSA-N 2 1 294.389 3.490 20 0 CGADMP Cn1cccc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530737 234318688 /nfs/dbraw/zinc/31/86/88/234318688.db2.gz PGMXHKYBIHEJSP-IBGZPJMESA-N 2 1 297.446 3.027 20 0 CGADMP CCSc1cccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292730139 198392154 /nfs/dbraw/zinc/39/21/54/198392154.db2.gz GCXFAFLBDIXVTB-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292730139 198392156 /nfs/dbraw/zinc/39/21/56/198392156.db2.gz GCXFAFLBDIXVTB-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292730139 198392157 /nfs/dbraw/zinc/39/21/57/198392157.db2.gz GCXFAFLBDIXVTB-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292730139 198392159 /nfs/dbraw/zinc/39/21/59/198392159.db2.gz GCXFAFLBDIXVTB-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292730139 198392160 /nfs/dbraw/zinc/39/21/60/198392160.db2.gz GCXFAFLBDIXVTB-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449352199 283018436 /nfs/dbraw/zinc/01/84/36/283018436.db2.gz STGOSMNYFGBYDE-LBTNJELSSA-N 2 1 288.410 3.420 20 0 CGADMP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411339734 235050211 /nfs/dbraw/zinc/05/02/11/235050211.db2.gz ZBDUZUJWCZPOAM-OKZBNKHCSA-N 2 1 299.393 3.351 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000271822981 191348799 /nfs/dbraw/zinc/34/87/99/191348799.db2.gz NEAKOELSHGYBLG-UHFFFAOYSA-N 2 1 278.465 3.397 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000271877946 191384357 /nfs/dbraw/zinc/38/43/57/191384357.db2.gz OPIJEKLUUHECHG-INIZCTEOSA-N 2 1 262.372 3.128 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000271890301 191393776 /nfs/dbraw/zinc/39/37/76/191393776.db2.gz VSCXNABHMALWET-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]2CCC[C@H]21 ZINC000353619644 283132391 /nfs/dbraw/zinc/13/23/91/283132391.db2.gz IDJUBUPMMVXYPS-MELADBBJSA-N 2 1 272.383 3.027 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415074196 235524865 /nfs/dbraw/zinc/52/48/65/235524865.db2.gz ZRAKMHQJTDIDIV-UHFFFAOYSA-N 2 1 284.403 3.080 20 0 CGADMP CCC[N@@H+](CC1CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000226436986 283195563 /nfs/dbraw/zinc/19/55/63/283195563.db2.gz JDADURAMPAQKGL-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868820 138355959 /nfs/dbraw/zinc/35/59/59/138355959.db2.gz LLYJREQYBFWMSV-HUUCEWRRSA-N 2 1 276.449 3.125 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCCn2ccnc2C)C1 ZINC000125299802 138381735 /nfs/dbraw/zinc/38/17/35/138381735.db2.gz AXEMZAYEJZKDFI-CABCVRRESA-N 2 1 281.469 3.188 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000125299802 138381736 /nfs/dbraw/zinc/38/17/36/138381736.db2.gz AXEMZAYEJZKDFI-CABCVRRESA-N 2 1 281.469 3.188 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000125299802 138381738 /nfs/dbraw/zinc/38/17/38/138381738.db2.gz AXEMZAYEJZKDFI-CABCVRRESA-N 2 1 281.469 3.188 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC[N@H+]1C ZINC000128380845 138393135 /nfs/dbraw/zinc/39/31/35/138393135.db2.gz IBHCHTPZXUEHDZ-MAUKXSAKSA-N 2 1 295.430 3.321 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000130222650 138399981 /nfs/dbraw/zinc/39/99/81/138399981.db2.gz HWFYMQPJGOMQBG-VBNZEHGJSA-N 2 1 262.372 3.103 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423278965 236019505 /nfs/dbraw/zinc/01/95/05/236019505.db2.gz QOPOUVVTKGHFRQ-KBMXLJTQSA-N 2 1 278.827 3.303 20 0 CGADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1SC ZINC000423273363 236016953 /nfs/dbraw/zinc/01/69/53/236016953.db2.gz KKRCEFUSTBNQCE-WCQYABFASA-N 2 1 282.453 3.051 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000423326851 236040217 /nfs/dbraw/zinc/04/02/17/236040217.db2.gz NADKGQSBPYKHHW-KGLIPLIRSA-N 2 1 254.377 3.351 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000423337751 236043221 /nfs/dbraw/zinc/04/32/21/236043221.db2.gz VLXUSXCVRYDHJH-VXGBXAGGSA-N 2 1 260.406 3.413 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423340796 236044356 /nfs/dbraw/zinc/04/43/56/236044356.db2.gz XJPMGUBNQKAEGE-CABCVRRESA-N 2 1 284.403 3.263 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000423360971 236049032 /nfs/dbraw/zinc/04/90/32/236049032.db2.gz GIMIZVLHGQQGKW-KBPBESRZSA-N 2 1 270.376 3.477 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423364427 236051301 /nfs/dbraw/zinc/05/13/01/236051301.db2.gz AQHJLXXKVSBCOO-JQFCIGGWSA-N 3 1 298.434 3.101 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423442402 236072530 /nfs/dbraw/zinc/07/25/30/236072530.db2.gz BRXHODTVEMNZFV-SUNYJGFJSA-N 2 1 286.394 3.435 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)C1CCCC1 ZINC000423534971 236094587 /nfs/dbraw/zinc/09/45/87/236094587.db2.gz WWJJLCKKKSISKZ-CABCVRRESA-N 2 1 294.439 3.470 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000424378493 236158771 /nfs/dbraw/zinc/15/87/71/236158771.db2.gz SUIKVWIKWWMXET-HZSPNIEDSA-N 2 1 262.422 3.083 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)cc(Cl)c1)CC[NH2+]CC2 ZINC000424378507 236159185 /nfs/dbraw/zinc/15/91/85/236159185.db2.gz NHOXXHYLQRRDHE-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCCO2 ZINC000425924516 236273385 /nfs/dbraw/zinc/27/33/85/236273385.db2.gz PNXBCPDPVUMMNZ-DYVFJYSZSA-N 2 1 290.451 3.304 20 0 CGADMP COCC(C)(C)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000426413031 236293821 /nfs/dbraw/zinc/29/38/21/236293821.db2.gz QUPAIRYJMFVZEQ-QGZVFWFLSA-N 2 1 296.499 3.103 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3ccoc32)CC[N@H+]1C ZINC000336221993 213048633 /nfs/dbraw/zinc/04/86/33/213048633.db2.gz CUKPKBNVWFYAHM-WFASDCNBSA-N 2 1 258.365 3.005 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685226 199133567 /nfs/dbraw/zinc/13/35/67/199133567.db2.gz DKEBIKPBFKACEY-IGCXYCKISA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685226 199133569 /nfs/dbraw/zinc/13/35/69/199133569.db2.gz DKEBIKPBFKACEY-IGCXYCKISA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685226 199133570 /nfs/dbraw/zinc/13/35/70/199133570.db2.gz DKEBIKPBFKACEY-IGCXYCKISA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685226 199133572 /nfs/dbraw/zinc/13/35/72/199133572.db2.gz DKEBIKPBFKACEY-IGCXYCKISA-N 2 1 296.405 3.483 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC000294692042 199136495 /nfs/dbraw/zinc/13/64/95/199136495.db2.gz DRNWJVFKJGSOHQ-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC000294692042 199136496 /nfs/dbraw/zinc/13/64/96/199136496.db2.gz DRNWJVFKJGSOHQ-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000436272531 237062451 /nfs/dbraw/zinc/06/24/51/237062451.db2.gz GPILBEGPUOIWQP-FGTMMUONSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cccc(Cl)c2)CC[N@@H+]1C ZINC000177061594 189025241 /nfs/dbraw/zinc/02/52/41/189025241.db2.gz BETZRYKDNLDWRV-HIFRSBDPSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cccc(Cl)c2)CC[N@H+]1C ZINC000177061594 189025242 /nfs/dbraw/zinc/02/52/42/189025242.db2.gz BETZRYKDNLDWRV-HIFRSBDPSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2cccc(Cl)c2)CC[NH+]1C ZINC000177061594 189025243 /nfs/dbraw/zinc/02/52/43/189025243.db2.gz BETZRYKDNLDWRV-HIFRSBDPSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2cccc(Cl)c2)CC[NH+]1C ZINC000177061594 189025244 /nfs/dbraw/zinc/02/52/44/189025244.db2.gz BETZRYKDNLDWRV-HIFRSBDPSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000178257343 189100686 /nfs/dbraw/zinc/10/06/86/189100686.db2.gz UIAJPXSLHQFZRX-GFCCVEGCSA-N 2 1 264.438 3.273 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2ccccc2n1 ZINC000178414718 189114400 /nfs/dbraw/zinc/11/44/00/189114400.db2.gz HMNOYHJTVQCIBO-HNNXBMFYSA-N 2 1 283.419 3.371 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCS2 ZINC000178411583 189114598 /nfs/dbraw/zinc/11/45/98/189114598.db2.gz FQBHCBJBYGTTSJ-OAHLLOKOSA-N 2 1 294.439 3.438 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CCC1 ZINC000342141340 216235710 /nfs/dbraw/zinc/23/57/10/216235710.db2.gz ULOMGYNFDGWGQG-UHFFFAOYSA-N 2 1 266.388 3.325 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000179630796 189208619 /nfs/dbraw/zinc/20/86/19/189208619.db2.gz KOXQVBCSRQSANA-HNNXBMFYSA-N 2 1 284.403 3.330 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000179630796 189208620 /nfs/dbraw/zinc/20/86/20/189208620.db2.gz KOXQVBCSRQSANA-HNNXBMFYSA-N 2 1 284.403 3.330 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000440332068 238302541 /nfs/dbraw/zinc/30/25/41/238302541.db2.gz PTCZYPXYIVREDY-KRWDZBQOSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccccc1CCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000440332068 238302547 /nfs/dbraw/zinc/30/25/47/238302547.db2.gz PTCZYPXYIVREDY-KRWDZBQOSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccccc1CCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000440332068 238302551 /nfs/dbraw/zinc/30/25/51/238302551.db2.gz PTCZYPXYIVREDY-KRWDZBQOSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1ccc2[nH+]ccc(NC[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC000302149574 201367348 /nfs/dbraw/zinc/36/73/48/201367348.db2.gz JSMDSDJTVQYFRS-AWEZNQCLSA-N 2 1 269.392 3.297 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449169664 239219198 /nfs/dbraw/zinc/21/91/98/239219198.db2.gz HIXUHGSXDFNWTF-BFQNTYOBSA-N 2 1 282.378 3.141 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449171909 239220549 /nfs/dbraw/zinc/22/05/49/239220549.db2.gz LFBVUZZLDONGKV-IIAWOOMASA-N 2 1 286.419 3.436 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449171909 239220553 /nfs/dbraw/zinc/22/05/53/239220553.db2.gz LFBVUZZLDONGKV-IIAWOOMASA-N 2 1 286.419 3.436 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449379338 239366376 /nfs/dbraw/zinc/36/63/76/239366376.db2.gz SVXWXDDRCRCBPJ-KURKYZTESA-N 2 1 284.447 3.323 20 0 CGADMP Cc1cc2cc([C@@H](C)[NH2+]C3CC[NH2+]CC3)oc2cc1C ZINC000335568788 212279370 /nfs/dbraw/zinc/27/93/70/212279370.db2.gz SHHJIICGTUSSQC-CYBMUJFWSA-N 2 1 272.392 3.452 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000275493169 193057399 /nfs/dbraw/zinc/05/73/99/193057399.db2.gz JCRRMESJSHYUGX-XJKSGUPXSA-N 2 1 287.382 3.326 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275499559 193058790 /nfs/dbraw/zinc/05/87/90/193058790.db2.gz MBHFSVYHEXFHNS-SJORKVTESA-N 2 1 269.392 3.117 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000275637423 193093242 /nfs/dbraw/zinc/09/32/42/193093242.db2.gz UTZVQIDEANNJSD-RHSMWYFYSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000275785437 193127589 /nfs/dbraw/zinc/12/75/89/193127589.db2.gz YBHTUKFYUGXNLF-CQSZACIVSA-N 2 1 278.415 3.203 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000459310196 242066861 /nfs/dbraw/zinc/06/68/61/242066861.db2.gz ULYRQGMYQBLVAW-NJAFHUGGSA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000459310196 242066866 /nfs/dbraw/zinc/06/68/66/242066866.db2.gz ULYRQGMYQBLVAW-NJAFHUGGSA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459310196 242066871 /nfs/dbraw/zinc/06/68/71/242066871.db2.gz ULYRQGMYQBLVAW-NJAFHUGGSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Sc1ccccc1 ZINC000459416038 242100035 /nfs/dbraw/zinc/10/00/35/242100035.db2.gz CJYRXBITOMSWMG-CQSZACIVSA-N 2 1 290.476 3.384 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000459726853 242194032 /nfs/dbraw/zinc/19/40/32/242194032.db2.gz BXCOPUIYZMGNCL-OMDKTOEGSA-N 2 1 294.389 3.300 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459799836 242239849 /nfs/dbraw/zinc/23/98/49/242239849.db2.gz ZFWMKTICCJTVJT-NFOMZHRRSA-N 2 1 252.446 3.133 20 0 CGADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1F ZINC000459783539 242232427 /nfs/dbraw/zinc/23/24/27/242232427.db2.gz NKNXGUJQFJDJFL-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459784613 242233476 /nfs/dbraw/zinc/23/34/76/242233476.db2.gz OCINTDRHFZHGMT-WBVHZDCISA-N 2 1 290.451 3.035 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000479684421 243119539 /nfs/dbraw/zinc/11/95/39/243119539.db2.gz IYHMYDLALTVHHX-LJQANCHMSA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000481033177 243175116 /nfs/dbraw/zinc/17/51/16/243175116.db2.gz DGUTWAHDQMYMDM-NVXWUHKLSA-N 2 1 290.451 3.151 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000481033177 243175120 /nfs/dbraw/zinc/17/51/20/243175120.db2.gz DGUTWAHDQMYMDM-NVXWUHKLSA-N 2 1 290.451 3.151 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000247138694 296121905 /nfs/dbraw/zinc/12/19/05/296121905.db2.gz VZRYPVDUXWITHF-QLFBSQMISA-N 2 1 296.480 3.288 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000482251000 243222044 /nfs/dbraw/zinc/22/20/44/243222044.db2.gz VVHVQFYRZJURTL-MAUKXSAKSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000482251000 243222048 /nfs/dbraw/zinc/22/20/48/243222048.db2.gz VVHVQFYRZJURTL-MAUKXSAKSA-N 2 1 274.452 3.328 20 0 CGADMP Cc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c(OC(C)C)c1 ZINC000484609260 243317895 /nfs/dbraw/zinc/31/78/95/243317895.db2.gz VWTPXWHCOBHJTP-WBVHZDCISA-N 2 1 290.451 3.212 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)c(OC(C)C)c1 ZINC000484609260 243317903 /nfs/dbraw/zinc/31/79/03/243317903.db2.gz VWTPXWHCOBHJTP-WBVHZDCISA-N 2 1 290.451 3.212 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(OC(C)C)c1 ZINC000484609260 243317908 /nfs/dbraw/zinc/31/79/08/243317908.db2.gz VWTPXWHCOBHJTP-WBVHZDCISA-N 2 1 290.451 3.212 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(OC(C)C)c1 ZINC000484609260 243317910 /nfs/dbraw/zinc/31/79/10/243317910.db2.gz VWTPXWHCOBHJTP-WBVHZDCISA-N 2 1 290.451 3.212 20 0 CGADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000124779362 370926992 /nfs/dbraw/zinc/92/69/92/370926992.db2.gz KZVNYJBEPIUGHP-QGZVFWFLSA-N 2 1 260.425 3.381 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1C(C)C ZINC000124125536 370918551 /nfs/dbraw/zinc/91/85/51/370918551.db2.gz DSTWIPLNTBKUKZ-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1C(C)C ZINC000124125536 370918557 /nfs/dbraw/zinc/91/85/57/370918557.db2.gz DSTWIPLNTBKUKZ-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP COCc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000125545506 370936886 /nfs/dbraw/zinc/93/68/86/370936886.db2.gz XTTIINFRBNHPRK-HNNXBMFYSA-N 2 1 294.439 3.170 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000019943365 368787827 /nfs/dbraw/zinc/78/78/27/368787827.db2.gz JZCLCDVZVPZCBD-CYBMUJFWSA-N 2 1 282.403 3.217 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CCC[NH+](CC)CC)cc1 ZINC000019943067 368788325 /nfs/dbraw/zinc/78/83/25/368788325.db2.gz IOMUKMUZZHGAMB-HNNXBMFYSA-N 2 1 278.440 3.468 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C[C@H]1CC=CCC1)[NH+](C)C ZINC000019988121 368791942 /nfs/dbraw/zinc/79/19/42/368791942.db2.gz XVUGPJWZDNYBNO-HOCLYGCPSA-N 2 1 252.446 3.299 20 0 CGADMP [NH3+]C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000032053432 368924083 /nfs/dbraw/zinc/92/40/83/368924083.db2.gz HZTGAXGSCDLCDA-UHFFFAOYSA-N 2 1 296.414 3.189 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000036997675 369048443 /nfs/dbraw/zinc/04/84/43/369048443.db2.gz QQMUKOMHAVDMDM-CYBMUJFWSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000036908278 369036699 /nfs/dbraw/zinc/03/66/99/369036699.db2.gz WJFVNCMVOPUZRL-XUJVJEKNSA-N 2 1 298.377 3.106 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649171 369095041 /nfs/dbraw/zinc/09/50/41/369095041.db2.gz OSAGBIACIPGEEJ-DYVFJYSZSA-N 2 1 276.399 3.351 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000037644262 369095851 /nfs/dbraw/zinc/09/58/51/369095851.db2.gz SZJNJDOJTGUOHN-GJZGRUSLSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000037649228 369097429 /nfs/dbraw/zinc/09/74/29/369097429.db2.gz SYESUSDOPHKDRA-VXGBXAGGSA-N 2 1 280.362 3.100 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649316 369097465 /nfs/dbraw/zinc/09/74/65/369097465.db2.gz RHHHMHHUVNZHEG-WBVHZDCISA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649365 369098097 /nfs/dbraw/zinc/09/80/97/369098097.db2.gz GSGDEQOJOZGGMJ-OLZOCXBDSA-N 2 1 278.827 3.475 20 0 CGADMP Cc1nc2ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc2s1 ZINC000494362494 244284027 /nfs/dbraw/zinc/28/40/27/244284027.db2.gz BOFMNYWINGANBM-UHFFFAOYSA-N 2 1 291.464 3.425 20 0 CGADMP Cc1nc2ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc2s1 ZINC000494362494 244284029 /nfs/dbraw/zinc/28/40/29/244284029.db2.gz BOFMNYWINGANBM-UHFFFAOYSA-N 2 1 291.464 3.425 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228470933 189792217 /nfs/dbraw/zinc/79/22/17/189792217.db2.gz VBXSSWSUWOEOPH-CGTJXYLNSA-N 2 1 288.435 3.033 20 0 CGADMP C[NH2+]CC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000053664064 369487965 /nfs/dbraw/zinc/48/79/65/369487965.db2.gz FXSAJPLCXSRQLO-UHFFFAOYSA-N 2 1 289.810 3.324 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)COCc1ccccc1 ZINC000337291925 376196890 /nfs/dbraw/zinc/19/68/90/376196890.db2.gz FNMQRJSRVVKXDH-KRWDZBQOSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1cc(NCC[N@H+](C)C2CC2)c2ccccc2[nH+]1 ZINC000062010315 369614142 /nfs/dbraw/zinc/61/41/42/369614142.db2.gz DVJHQZZAQQYVNV-UHFFFAOYSA-N 2 1 255.365 3.049 20 0 CGADMP Cc1ccc(OCCC[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000070170994 369786277 /nfs/dbraw/zinc/78/62/77/369786277.db2.gz GAWLPIRETJBSHV-QGZVFWFLSA-N 2 1 290.451 3.133 20 0 CGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173913 369786568 /nfs/dbraw/zinc/78/65/68/369786568.db2.gz NUBBPBXOYBYXHJ-SJORKVTESA-N 2 1 290.451 3.132 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169653 369786754 /nfs/dbraw/zinc/78/67/54/369786754.db2.gz FJAFFGIWGAHNBS-HNNXBMFYSA-N 2 1 276.424 3.035 20 0 CGADMP COCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000073166157 369853213 /nfs/dbraw/zinc/85/32/13/369853213.db2.gz DPNMGXCBLBMYIY-ZWKOTPCHSA-N 2 1 296.499 3.390 20 0 CGADMP COCCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000073166157 369853217 /nfs/dbraw/zinc/85/32/17/369853217.db2.gz DPNMGXCBLBMYIY-ZWKOTPCHSA-N 2 1 296.499 3.390 20 0 CGADMP COCCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000073166157 369853219 /nfs/dbraw/zinc/85/32/19/369853219.db2.gz DPNMGXCBLBMYIY-ZWKOTPCHSA-N 2 1 296.499 3.390 20 0 CGADMP Cc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163761 370031450 /nfs/dbraw/zinc/03/14/50/370031450.db2.gz CXDHLTUHRKQTHF-ALOPSCKCSA-N 2 1 258.409 3.100 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090721609 370066891 /nfs/dbraw/zinc/06/68/91/370066891.db2.gz SBAYXKXFHDBSSO-ZBFHGGJFSA-N 2 1 276.424 3.046 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1 ZINC000093088995 370107893 /nfs/dbraw/zinc/10/78/93/370107893.db2.gz FDAJJZYLTRIVCP-UHFFFAOYSA-N 2 1 260.425 3.077 20 0 CGADMP c1csc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563758 370142717 /nfs/dbraw/zinc/14/27/17/370142717.db2.gz LXTCOWLEAYRUOQ-CQSZACIVSA-N 2 1 264.438 3.198 20 0 CGADMP c1csc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563758 370142721 /nfs/dbraw/zinc/14/27/21/370142721.db2.gz LXTCOWLEAYRUOQ-CQSZACIVSA-N 2 1 264.438 3.198 20 0 CGADMP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093596862 370144190 /nfs/dbraw/zinc/14/41/90/370144190.db2.gz HRQGKZVFEXUZOB-KRWDZBQOSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093596862 370144196 /nfs/dbraw/zinc/14/41/96/370144196.db2.gz HRQGKZVFEXUZOB-KRWDZBQOSA-N 2 1 288.435 3.003 20 0 CGADMP CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000093945002 370164620 /nfs/dbraw/zinc/16/46/20/370164620.db2.gz NHTRAKCCAHFKNM-FJIDUMEYSA-N 2 1 296.499 3.028 20 0 CGADMP CCCC1CCC([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000094010592 370165241 /nfs/dbraw/zinc/16/52/41/370165241.db2.gz ZZIFHECFBNJPGI-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CC[NH+](C)CC1 ZINC000513015390 245061818 /nfs/dbraw/zinc/06/18/18/245061818.db2.gz VIMIRTVIUYSMDV-QBFSEMIESA-N 2 1 278.827 3.427 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113512597 370475898 /nfs/dbraw/zinc/47/58/98/370475898.db2.gz ZWLJCPSSVUCPSC-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000513654495 245087489 /nfs/dbraw/zinc/08/74/89/245087489.db2.gz IUACPNHKQYUDCU-JYJNAYRXSA-N 2 1 278.827 3.302 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1OC(F)F ZINC000129894114 371005685 /nfs/dbraw/zinc/00/56/85/371005685.db2.gz KELOHCAJXPWNAZ-AGIUHOORSA-N 2 1 298.377 3.421 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1OC(F)F ZINC000129894114 371005692 /nfs/dbraw/zinc/00/56/92/371005692.db2.gz KELOHCAJXPWNAZ-AGIUHOORSA-N 2 1 298.377 3.421 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130196858 371016975 /nfs/dbraw/zinc/01/69/75/371016975.db2.gz HXMLXLXGTLRYRP-RYQLBKOJSA-N 2 1 272.436 3.142 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130244719 371019912 /nfs/dbraw/zinc/01/99/12/371019912.db2.gz YZQXFYMBVUQJGO-BHYGNILZSA-N 2 1 288.435 3.363 20 0 CGADMP COCc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)o1 ZINC000131062676 371080738 /nfs/dbraw/zinc/08/07/38/371080738.db2.gz KAEUIMJVWFGURF-GOEBONIOSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)o1 ZINC000131062676 371080742 /nfs/dbraw/zinc/08/07/42/371080742.db2.gz KAEUIMJVWFGURF-GOEBONIOSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000131062676 371080746 /nfs/dbraw/zinc/08/07/46/371080746.db2.gz KAEUIMJVWFGURF-GOEBONIOSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)o1 ZINC000131062676 371080752 /nfs/dbraw/zinc/08/07/52/371080752.db2.gz KAEUIMJVWFGURF-GOEBONIOSA-N 2 1 292.423 3.047 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000133428277 371250633 /nfs/dbraw/zinc/25/06/33/371250633.db2.gz WNZGKESAWODARL-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000133428277 371250638 /nfs/dbraw/zinc/25/06/38/371250638.db2.gz WNZGKESAWODARL-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133428277 371250643 /nfs/dbraw/zinc/25/06/43/371250643.db2.gz WNZGKESAWODARL-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133428277 371250648 /nfs/dbraw/zinc/25/06/48/371250648.db2.gz WNZGKESAWODARL-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(F)ccc43)CC[C@@H]21 ZINC000133712370 371274553 /nfs/dbraw/zinc/27/45/53/371274553.db2.gz QXFIDPNURJBTGS-DYVFJYSZSA-N 2 1 299.393 3.294 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(F)ccc43)CC[C@@H]21 ZINC000133712370 371274558 /nfs/dbraw/zinc/27/45/58/371274558.db2.gz QXFIDPNURJBTGS-DYVFJYSZSA-N 2 1 299.393 3.294 20 0 CGADMP CC(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000135255304 371405422 /nfs/dbraw/zinc/40/54/22/371405422.db2.gz YVHLLXRDLGDPCC-ALOPSCKCSA-N 2 1 258.409 3.180 20 0 CGADMP Fc1ccccc1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000137607293 371499106 /nfs/dbraw/zinc/49/91/06/371499106.db2.gz DVXQJVOVJRURIE-KRWDZBQOSA-N 2 1 290.426 3.319 20 0 CGADMP Fc1ccccc1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000137607293 371499110 /nfs/dbraw/zinc/49/91/10/371499110.db2.gz DVXQJVOVJRURIE-KRWDZBQOSA-N 2 1 290.426 3.319 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(CC)nc2C)C1 ZINC000151098113 371567459 /nfs/dbraw/zinc/56/74/59/371567459.db2.gz QYAWTROVRDODOS-JSGCOSHPSA-N 2 1 295.496 3.396 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(CC)o2)C1 ZINC000151143172 371576611 /nfs/dbraw/zinc/57/66/11/371576611.db2.gz FKIRXYZRDPZAPH-UONOGXRCSA-N 2 1 264.413 3.225 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(CC)o2)C1 ZINC000151143172 371576621 /nfs/dbraw/zinc/57/66/21/371576621.db2.gz FKIRXYZRDPZAPH-UONOGXRCSA-N 2 1 264.413 3.225 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805188 371636290 /nfs/dbraw/zinc/63/62/90/371636290.db2.gz FXNSRCKHSSOOGK-KFNAQCHYSA-N 2 1 282.378 3.488 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000151873142 371646632 /nfs/dbraw/zinc/64/66/32/371646632.db2.gz ATWCRRQSGUZFCC-YRGRVCCFSA-N 2 1 266.454 3.060 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000151873142 371646638 /nfs/dbraw/zinc/64/66/38/371646638.db2.gz ATWCRRQSGUZFCC-YRGRVCCFSA-N 2 1 266.454 3.060 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1OCC ZINC000151960177 371658889 /nfs/dbraw/zinc/65/88/89/371658889.db2.gz RJKYKSZFNRTZMO-AWEZNQCLSA-N 2 1 294.439 3.086 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(C2CC2)c1 ZINC000422556483 371747618 /nfs/dbraw/zinc/74/76/18/371747618.db2.gz SZVCBGFNAFGKCJ-MOPGFXCFSA-N 2 1 284.447 3.386 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000289282238 371753251 /nfs/dbraw/zinc/75/32/51/371753251.db2.gz QGGGFQMTDFUYME-UGSOOPFHSA-N 2 1 270.420 3.451 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422701943 371759752 /nfs/dbraw/zinc/75/97/52/371759752.db2.gz CTKQNMCUSRZJPS-RDJZCZTQSA-N 2 1 282.472 3.094 20 0 CGADMP C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000422716489 371765660 /nfs/dbraw/zinc/76/56/60/371765660.db2.gz NHHKWFZVEXVZMG-KBRIMQKVSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@@H](C)c3c[nH+]ccc3N)cc2c1C ZINC000422725234 371770153 /nfs/dbraw/zinc/77/01/53/371770153.db2.gz XSNZZPBDQAFLLT-ZDUSSCGKSA-N 2 1 294.402 3.443 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422766070 371792908 /nfs/dbraw/zinc/79/29/08/371792908.db2.gz RKUNWXVTRXIJNR-UONOGXRCSA-N 2 1 297.240 3.199 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1 ZINC000422731324 371773351 /nfs/dbraw/zinc/77/33/51/371773351.db2.gz NMQBOTFEEMGAHO-DYVFJYSZSA-N 2 1 288.822 3.388 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422828653 371831602 /nfs/dbraw/zinc/83/16/02/371831602.db2.gz ORZAKSRJHZIHDB-RBSFLKMASA-N 2 1 296.361 3.135 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1OC(F)F ZINC000422805889 371820587 /nfs/dbraw/zinc/82/05/87/371820587.db2.gz MNRFUYXYAAUDEA-FKJOKYEKSA-N 2 1 296.361 3.222 20 0 CGADMP Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422806207 371821473 /nfs/dbraw/zinc/82/14/73/371821473.db2.gz MZFOJDMCQHJWAK-MAUKXSAKSA-N 2 1 268.404 3.043 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867344 371845238 /nfs/dbraw/zinc/84/52/38/371845238.db2.gz RYIAMIOMVKVFOV-ROUUACIJSA-N 2 1 282.387 3.448 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422868970 371846293 /nfs/dbraw/zinc/84/62/93/371846293.db2.gz WKDMHCSSWKOYFH-MRXNPFEDSA-N 3 1 291.483 3.134 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(Cl)c1 ZINC000422882265 371851307 /nfs/dbraw/zinc/85/13/07/371851307.db2.gz RTGXKFCYDZVFDJ-MDFVCYEDSA-N 2 1 282.790 3.413 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289937261 371857750 /nfs/dbraw/zinc/85/77/50/371857750.db2.gz VYKSMNHZOMRNPI-HUUCEWRRSA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289937261 371857757 /nfs/dbraw/zinc/85/77/57/371857757.db2.gz VYKSMNHZOMRNPI-HUUCEWRRSA-N 2 1 283.419 3.227 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422897076 371859271 /nfs/dbraw/zinc/85/92/71/371859271.db2.gz BKCHBKVGIPLHTH-NVXWUHKLSA-N 2 1 272.436 3.147 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154683743 371868294 /nfs/dbraw/zinc/86/82/94/371868294.db2.gz SUBKCSYJEQHVDZ-UHFFFAOYSA-N 2 1 260.425 3.077 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccccc1C ZINC000422923759 371874340 /nfs/dbraw/zinc/87/43/40/371874340.db2.gz XABLCTZUGHKRHQ-CABCVRRESA-N 2 1 299.418 3.311 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000290028358 371882043 /nfs/dbraw/zinc/88/20/43/371882043.db2.gz VOYQEXBGLSFPKA-CZUORRHYSA-N 2 1 261.413 3.164 20 0 CGADMP C[C@@H]([NH2+]CCCc1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000422950239 371888049 /nfs/dbraw/zinc/88/80/49/371888049.db2.gz XOUZCOPJSRXIIG-GFCCVEGCSA-N 2 1 289.810 3.431 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC(c2ccccc2)C1 ZINC000422966610 371895937 /nfs/dbraw/zinc/89/59/37/371895937.db2.gz NWBMFSNRMXORJB-GRCLEANCSA-N 2 1 294.442 3.481 20 0 CGADMP CC[C@H]([NH2+]C[C@H](Nc1ccccc1)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422982586 371901740 /nfs/dbraw/zinc/90/17/40/371901740.db2.gz WZHDEUJUMMFDPA-BZSNNMDCSA-N 2 1 289.467 3.243 20 0 CGADMP CSCc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000423064229 371943536 /nfs/dbraw/zinc/94/35/36/371943536.db2.gz YNCPUOTURBOKBH-GFCCVEGCSA-N 2 1 287.432 3.208 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423008451 371912815 /nfs/dbraw/zinc/91/28/15/371912815.db2.gz AIQMWFGCBPNYBX-MLGOLLRUSA-N 2 1 294.389 3.117 20 0 CGADMP C[C@@H](CCC[NH3+])Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423042822 371929738 /nfs/dbraw/zinc/92/97/38/371929738.db2.gz MEYVJHGEKUHMOW-LBPRGKRZSA-N 2 1 288.439 3.410 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000344096909 217047918 /nfs/dbraw/zinc/04/79/18/217047918.db2.gz UYEVNKLAXRWMJC-WMZOPIPTSA-N 2 1 297.446 3.304 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(F)(F)F ZINC000423046420 371931136 /nfs/dbraw/zinc/93/11/36/371931136.db2.gz DPCBNDFGWODYNV-BNOWGMLFSA-N 2 1 286.341 3.268 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423046774 371931278 /nfs/dbraw/zinc/93/12/78/371931278.db2.gz FFUKNCVGDYRAKR-IIAWOOMASA-N 2 1 278.465 3.206 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423046768 371932250 /nfs/dbraw/zinc/93/22/50/371932250.db2.gz FFUKNCVGDYRAKR-DZKIICNBSA-N 2 1 278.465 3.206 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2n[nH]cc2c1 ZINC000423104978 371968514 /nfs/dbraw/zinc/96/85/14/371968514.db2.gz HVRLQSXREWQEFN-LSKLOWJMSA-N 2 1 292.386 3.358 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2sccc2Cl)C1 ZINC000290364862 371972795 /nfs/dbraw/zinc/97/27/95/371972795.db2.gz HDDFOXNELMYVJA-AAEUAGOBSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2sccc2Cl)C1 ZINC000290364862 371972801 /nfs/dbraw/zinc/97/28/01/371972801.db2.gz HDDFOXNELMYVJA-AAEUAGOBSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2sccc2Cl)C1 ZINC000290364862 371972809 /nfs/dbraw/zinc/97/28/09/371972809.db2.gz HDDFOXNELMYVJA-AAEUAGOBSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2sccc2Cl)C1 ZINC000290364862 371972814 /nfs/dbraw/zinc/97/28/14/371972814.db2.gz HDDFOXNELMYVJA-AAEUAGOBSA-N 2 1 284.856 3.318 20 0 CGADMP CSc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423111497 371973102 /nfs/dbraw/zinc/97/31/02/371973102.db2.gz WCCFFNZUCKBZBQ-SMDDNHRTSA-N 2 1 282.428 3.025 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OC(C)(C)C)cc1 ZINC000156706088 371992285 /nfs/dbraw/zinc/99/22/85/371992285.db2.gz FHBITKSPPLXEEI-AWEZNQCLSA-N 2 1 278.440 3.466 20 0 CGADMP C[C@@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423163937 371998431 /nfs/dbraw/zinc/99/84/31/371998431.db2.gz RVGUPUVWRMACKP-IUODEOHRSA-N 2 1 278.827 3.145 20 0 CGADMP [NH3+][C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCSC3)C2)c2ccccc21 ZINC000423168193 372000285 /nfs/dbraw/zinc/00/02/85/372000285.db2.gz XOQMNSFIUOSGHF-IXDOHACOSA-N 2 1 288.460 3.350 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423082816 371952035 /nfs/dbraw/zinc/95/20/35/371952035.db2.gz XURUDEHOIIPZHD-DLBZAZTESA-N 3 1 295.515 3.009 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CCCC2)o1 ZINC000423191582 372017131 /nfs/dbraw/zinc/01/71/31/372017131.db2.gz UNMIKFBAOFAGML-INIZCTEOSA-N 2 1 262.397 3.161 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(F)c1 ZINC000423194922 372018788 /nfs/dbraw/zinc/01/87/88/372018788.db2.gz ZMVYQCPQEMVKBD-CQSZACIVSA-N 2 1 287.382 3.051 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581930 372023169 /nfs/dbraw/zinc/02/31/69/372023169.db2.gz UPYFFEBHUKGHRQ-ABAIWWIYSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581930 372023174 /nfs/dbraw/zinc/02/31/74/372023174.db2.gz UPYFFEBHUKGHRQ-ABAIWWIYSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581930 372023177 /nfs/dbraw/zinc/02/31/77/372023177.db2.gz UPYFFEBHUKGHRQ-ABAIWWIYSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581930 372023182 /nfs/dbraw/zinc/02/31/82/372023182.db2.gz UPYFFEBHUKGHRQ-ABAIWWIYSA-N 2 1 284.806 3.251 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000423205097 372029160 /nfs/dbraw/zinc/02/91/60/372029160.db2.gz VISGZNDYXQXWHT-AWEZNQCLSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000423206991 372030483 /nfs/dbraw/zinc/03/04/83/372030483.db2.gz XMFXIMXKYNYVOX-NSHDSACASA-N 2 1 281.469 3.462 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1scnc1C ZINC000290634731 372032038 /nfs/dbraw/zinc/03/20/38/372032038.db2.gz YEGVZNYBZGKSNB-UHFFFAOYSA-N 2 1 292.452 3.123 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1scnc1C ZINC000290634731 372032045 /nfs/dbraw/zinc/03/20/45/372032045.db2.gz YEGVZNYBZGKSNB-UHFFFAOYSA-N 2 1 292.452 3.123 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000290656473 372036179 /nfs/dbraw/zinc/03/61/79/372036179.db2.gz ZKMQYUXIBIZGFO-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290656473 372036189 /nfs/dbraw/zinc/03/61/89/372036189.db2.gz ZKMQYUXIBIZGFO-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290656473 372036199 /nfs/dbraw/zinc/03/61/99/372036199.db2.gz ZKMQYUXIBIZGFO-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290656473 372036204 /nfs/dbraw/zinc/03/62/04/372036204.db2.gz ZKMQYUXIBIZGFO-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290656473 372036211 /nfs/dbraw/zinc/03/62/11/372036211.db2.gz ZKMQYUXIBIZGFO-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP CC1(C)CC[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)c2ccccc21 ZINC000423275598 372045681 /nfs/dbraw/zinc/04/56/81/372045681.db2.gz LWHKCLHEDGQZKN-CVEARBPZSA-N 2 1 258.409 3.126 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000158266046 372061745 /nfs/dbraw/zinc/06/17/45/372061745.db2.gz LRNPVKLQOUKFDH-LSDHHAIUSA-N 2 1 278.415 3.435 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC000423285814 372048697 /nfs/dbraw/zinc/04/86/97/372048697.db2.gz YTTURXIZVNWZLA-KGLIPLIRSA-N 2 1 285.218 3.308 20 0 CGADMP c1ccc([C@H]2CCCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423300776 372049574 /nfs/dbraw/zinc/04/95/74/372049574.db2.gz FNNIAGFMGJRZDI-GVDBMIGSSA-N 2 1 258.409 3.054 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423356915 372055555 /nfs/dbraw/zinc/05/55/55/372055555.db2.gz HMZGFEFRHALUHF-TZMCWYRMSA-N 2 1 262.397 3.025 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000158187868 372057613 /nfs/dbraw/zinc/05/76/13/372057613.db2.gz ILOZWQRJKKGAOP-MLGOLLRUSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000158187868 372057618 /nfs/dbraw/zinc/05/76/18/372057618.db2.gz ILOZWQRJKKGAOP-MLGOLLRUSA-N 2 1 282.378 3.347 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000158180479 372057865 /nfs/dbraw/zinc/05/78/65/372057865.db2.gz RGJVYERGSRAJMI-QWHCGFSZSA-N 2 1 293.480 3.014 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000158180479 372057868 /nfs/dbraw/zinc/05/78/68/372057868.db2.gz RGJVYERGSRAJMI-QWHCGFSZSA-N 2 1 293.480 3.014 20 0 CGADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423378749 372058828 /nfs/dbraw/zinc/05/88/28/372058828.db2.gz ZSQZOXFXZGZAOT-GBESFXJTSA-N 2 1 293.414 3.381 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)o1 ZINC000423174822 372004203 /nfs/dbraw/zinc/00/42/03/372004203.db2.gz CCGINNOUAFSQEJ-GFCCVEGCSA-N 2 1 250.386 3.209 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423182838 372010766 /nfs/dbraw/zinc/01/07/66/372010766.db2.gz FSJPTZGJAVBRJK-INIZCTEOSA-N 2 1 275.440 3.120 20 0 CGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cs1 ZINC000290538002 372012406 /nfs/dbraw/zinc/01/24/06/372012406.db2.gz RBVUWNCVKJZIDS-GXFFZTMASA-N 2 1 272.845 3.174 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)c1 ZINC000423495910 372069639 /nfs/dbraw/zinc/06/96/39/372069639.db2.gz DDFQTEAMOJTZPS-SUMWQHHRSA-N 2 1 276.424 3.172 20 0 CGADMP CSCC1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423496909 372069886 /nfs/dbraw/zinc/06/98/86/372069886.db2.gz FUHZPCDTBDBIIW-ZALBZXLWSA-N 2 1 270.486 3.015 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCC1CCCCC1)CC[NH2+]CC2 ZINC000424293748 372082465 /nfs/dbraw/zinc/08/24/65/372082465.db2.gz PXCTYEIQONLHKT-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000291217978 372140335 /nfs/dbraw/zinc/14/03/35/372140335.db2.gz NFSNAKNKUUCQGN-UGSOOPFHSA-N 2 1 299.418 3.200 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4ccccc43)C2)C1 ZINC000428998691 372301909 /nfs/dbraw/zinc/30/19/09/372301909.db2.gz DEYHPLIIQCRRHD-IBGZPJMESA-N 2 1 280.415 3.367 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc4ccccc43)C2)C1 ZINC000428998691 372301911 /nfs/dbraw/zinc/30/19/11/372301911.db2.gz DEYHPLIIQCRRHD-IBGZPJMESA-N 2 1 280.415 3.367 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc4ccccc43)C2)C1 ZINC000428998691 372301914 /nfs/dbraw/zinc/30/19/14/372301914.db2.gz DEYHPLIIQCRRHD-IBGZPJMESA-N 2 1 280.415 3.367 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccccc4s3)C2)C1 ZINC000429014124 372305279 /nfs/dbraw/zinc/30/52/79/372305279.db2.gz XVJYELMSIUHGTO-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000429014124 372305284 /nfs/dbraw/zinc/30/52/84/372305284.db2.gz XVJYELMSIUHGTO-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000429014124 372305289 /nfs/dbraw/zinc/30/52/89/372305289.db2.gz XVJYELMSIUHGTO-QGZVFWFLSA-N 2 1 286.444 3.429 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161142015 372305557 /nfs/dbraw/zinc/30/55/57/372305557.db2.gz YYSCLUAZAWIIDK-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000429530568 372373888 /nfs/dbraw/zinc/37/38/88/372373888.db2.gz SQKDMFCNNBLEGV-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1sccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000293443012 372384490 /nfs/dbraw/zinc/38/44/90/372384490.db2.gz BZOTWANXUDENKP-GOOCMWNKSA-N 2 1 264.438 3.161 20 0 CGADMP CC[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000162325951 372387633 /nfs/dbraw/zinc/38/76/33/372387633.db2.gz OLNXJPWTBBBDPQ-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163487902 372473073 /nfs/dbraw/zinc/47/30/73/372473073.db2.gz MNBFTEZNVQLQNR-DYEKYZERSA-N 2 1 298.377 3.266 20 0 CGADMP CCC[N@@H+](Cc1ccccc1OC(C)C)C1CC[NH2+]CC1 ZINC000431101525 372427325 /nfs/dbraw/zinc/42/73/25/372427325.db2.gz OYOMVNZXKAFLKF-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP COc1ccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000162883137 372431643 /nfs/dbraw/zinc/43/16/43/372431643.db2.gz RGKMYXPNHUCTBC-QGZVFWFLSA-N 2 1 299.418 3.080 20 0 CGADMP COc1ccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000162883137 372431649 /nfs/dbraw/zinc/43/16/49/372431649.db2.gz RGKMYXPNHUCTBC-QGZVFWFLSA-N 2 1 299.418 3.080 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)CC[N@H+]1C ZINC000293723955 372461200 /nfs/dbraw/zinc/46/12/00/372461200.db2.gz NVLMVYOGPCPUQA-WFASDCNBSA-N 2 1 282.378 3.371 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164686508 372529859 /nfs/dbraw/zinc/52/98/59/372529859.db2.gz XHCZXJWFHOWFQV-CQSZACIVSA-N 2 1 287.407 3.331 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]CC2CCCCCC2)CCCO1 ZINC000432353476 372565476 /nfs/dbraw/zinc/56/54/76/372565476.db2.gz MCHBEXCRBFWXJE-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1nocc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000294047511 372566197 /nfs/dbraw/zinc/56/61/97/372566197.db2.gz JCKAPRROPHBMAB-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1nocc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000294047511 372566200 /nfs/dbraw/zinc/56/62/00/372566200.db2.gz JCKAPRROPHBMAB-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC000166322518 372570036 /nfs/dbraw/zinc/57/00/36/372570036.db2.gz UJLXEZZMFJVJIT-JLSDUUJJSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@H+]1C ZINC000166322518 372570044 /nfs/dbraw/zinc/57/00/44/372570044.db2.gz UJLXEZZMFJVJIT-JLSDUUJJSA-N 2 1 272.436 3.080 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166353953 372571830 /nfs/dbraw/zinc/57/18/30/372571830.db2.gz JWWGYCOAJNVSGD-KBAYOESNSA-N 2 1 274.452 3.388 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166353953 372571835 /nfs/dbraw/zinc/57/18/35/372571835.db2.gz JWWGYCOAJNVSGD-KBAYOESNSA-N 2 1 274.452 3.388 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cs1 ZINC000294083543 372575513 /nfs/dbraw/zinc/57/55/13/372575513.db2.gz ALQSNPUXOGCQJC-LBPRGKRZSA-N 2 1 254.443 3.295 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000166640013 372577803 /nfs/dbraw/zinc/57/78/03/372577803.db2.gz MGAAOVSJNHWYAH-BBWFWOEESA-N 2 1 276.399 3.493 20 0 CGADMP c1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000294118264 372586235 /nfs/dbraw/zinc/58/62/35/372586235.db2.gz KLZBDCJOIBKKLF-OTWHNJEPSA-N 2 1 284.447 3.397 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000294135656 372591208 /nfs/dbraw/zinc/59/12/08/372591208.db2.gz URZVZUUCUMPGBL-KRWDZBQOSA-N 2 1 276.424 3.070 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000294261979 372631790 /nfs/dbraw/zinc/63/17/90/372631790.db2.gz LKIRNIHECGGIJS-LTDCPUDJSA-N 2 1 286.463 3.499 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000434778515 372709665 /nfs/dbraw/zinc/70/96/65/372709665.db2.gz ROFDGQRPVDKOKU-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](CCSc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626389 372787231 /nfs/dbraw/zinc/78/72/31/372787231.db2.gz OGARCHMSBMRVCH-OAHLLOKOSA-N 2 1 278.465 3.243 20 0 CGADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435742827 372801986 /nfs/dbraw/zinc/80/19/86/372801986.db2.gz OXVSKOIMLPOKHT-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc(OCCCC[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000438077962 372869856 /nfs/dbraw/zinc/86/98/56/372869856.db2.gz WPTIBQRTDCKYOR-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)CC[N@@H+]1C ZINC000438106893 372884667 /nfs/dbraw/zinc/88/46/67/372884667.db2.gz SYSHGONIXNKSRJ-JSGCOSHPSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)CC[N@H+]1C ZINC000438106893 372884676 /nfs/dbraw/zinc/88/46/76/372884676.db2.gz SYSHGONIXNKSRJ-JSGCOSHPSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)CC[NH+]1C ZINC000438106893 372884685 /nfs/dbraw/zinc/88/46/85/372884685.db2.gz SYSHGONIXNKSRJ-JSGCOSHPSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)CC[NH+]1C ZINC000438106893 372884694 /nfs/dbraw/zinc/88/46/94/372884694.db2.gz SYSHGONIXNKSRJ-JSGCOSHPSA-N 2 1 289.398 3.222 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)cn1 ZINC000296355518 373102775 /nfs/dbraw/zinc/10/27/75/373102775.db2.gz JGGGROUVXUIVTA-JJRVBVJISA-N 2 1 298.434 3.490 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000442931184 373129638 /nfs/dbraw/zinc/12/96/38/373129638.db2.gz VJYXTVLQFYDAKV-MRXNPFEDSA-N 2 1 295.430 3.309 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296458359 373140628 /nfs/dbraw/zinc/14/06/28/373140628.db2.gz NCBAASGWWMRHKP-LTTJGMOWSA-N 2 1 270.420 3.450 20 0 CGADMP COc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2c1 ZINC000174515206 373331594 /nfs/dbraw/zinc/33/15/94/373331594.db2.gz ZTTLCTXGUUDIQL-KBXCAEBGSA-N 2 1 298.430 3.421 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000177849548 373717457 /nfs/dbraw/zinc/71/74/57/373717457.db2.gz NFVJAZQUGAUOAO-IOASZLSFSA-N 2 1 296.842 3.037 20 0 CGADMP CCCC(CCC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000177296002 373672848 /nfs/dbraw/zinc/67/28/48/373672848.db2.gz USVAGETVYGABEP-CYBMUJFWSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000178411000 373773990 /nfs/dbraw/zinc/77/39/90/373773990.db2.gz VGSKIWNXUSEUEB-CQSZACIVSA-N 2 1 293.480 3.295 20 0 CGADMP COc1cccc2c(N(C)CC[N@@H+](C)C3CC3)cc(C)nc12 ZINC000302235767 373839424 /nfs/dbraw/zinc/83/94/24/373839424.db2.gz FPWIGJUSZBIYEM-UHFFFAOYSA-N 2 1 299.418 3.082 20 0 CGADMP COc1cccc2c(N(C)CC[N@H+](C)C3CC3)cc(C)[nH+]c12 ZINC000302235767 373839430 /nfs/dbraw/zinc/83/94/30/373839430.db2.gz FPWIGJUSZBIYEM-UHFFFAOYSA-N 2 1 299.418 3.082 20 0 CGADMP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974247 373823296 /nfs/dbraw/zinc/82/32/96/373823296.db2.gz PNDASMCRECECLJ-SUMWQHHRSA-N 2 1 276.399 3.208 20 0 CGADMP CC[NH+](CC)[C@@H](C)CNc1cc[nH+]c2ccsc21 ZINC000301500392 373780452 /nfs/dbraw/zinc/78/04/52/373780452.db2.gz DKBAQFGMJNYPGY-NSHDSACASA-N 2 1 263.410 3.439 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000449726109 373855929 /nfs/dbraw/zinc/85/59/29/373855929.db2.gz WOXXPDRVNHXBMD-QWHCGFSZSA-N 2 1 281.469 3.215 20 0 CGADMP CC[C@@H]1CC[C@H](C)N(Cc2ncc(CN(C)C)s2)C1 ZINC000449726109 373855939 /nfs/dbraw/zinc/85/59/39/373855939.db2.gz WOXXPDRVNHXBMD-QWHCGFSZSA-N 2 1 281.469 3.215 20 0 CGADMP C[C@H]1C[C@@H](N[C@@H]2CCCOc3cc(F)ccc32)CC[N@H+]1C ZINC000179965345 373947626 /nfs/dbraw/zinc/94/76/26/373947626.db2.gz RRCUDTPIVJYCFQ-DUVNUKRYSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CCN1C ZINC000179965345 373947634 /nfs/dbraw/zinc/94/76/34/373947634.db2.gz RRCUDTPIVJYCFQ-DUVNUKRYSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[N@@H+]1C ZINC000179965345 373947640 /nfs/dbraw/zinc/94/76/40/373947640.db2.gz RRCUDTPIVJYCFQ-DUVNUKRYSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[N@H+]1C ZINC000179965345 373947647 /nfs/dbraw/zinc/94/76/47/373947647.db2.gz RRCUDTPIVJYCFQ-DUVNUKRYSA-N 2 1 292.398 3.112 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000449783495 373913645 /nfs/dbraw/zinc/91/36/45/373913645.db2.gz PKXFJLYVULQVCO-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000449783495 373913647 /nfs/dbraw/zinc/91/36/47/373913647.db2.gz PKXFJLYVULQVCO-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000449783494 373913682 /nfs/dbraw/zinc/91/36/82/373913682.db2.gz PKXFJLYVULQVCO-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000449783494 373913686 /nfs/dbraw/zinc/91/36/86/373913686.db2.gz PKXFJLYVULQVCO-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1 ZINC000449783905 373913694 /nfs/dbraw/zinc/91/36/94/373913694.db2.gz SORSTRTUKUVSJE-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1 ZINC000449783905 373913698 /nfs/dbraw/zinc/91/36/98/373913698.db2.gz SORSTRTUKUVSJE-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc2nccn21 ZINC000180433162 374006743 /nfs/dbraw/zinc/00/67/43/374006743.db2.gz KOSIULZTERKCBT-AWEZNQCLSA-N 2 1 277.371 3.281 20 0 CGADMP C[C@H]1Cc2ccccc2CN1Cc1cccc2nccn21 ZINC000180433162 374006749 /nfs/dbraw/zinc/00/67/49/374006749.db2.gz KOSIULZTERKCBT-AWEZNQCLSA-N 2 1 277.371 3.281 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCC(F)(F)C2)CC1 ZINC000450339454 374068088 /nfs/dbraw/zinc/06/80/88/374068088.db2.gz QUMZLGNFWJIXHS-ZDUSSCGKSA-N 2 1 274.399 3.226 20 0 CGADMP CCC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000450347314 374071293 /nfs/dbraw/zinc/07/12/93/374071293.db2.gz HOCHRDONGZENII-QGZVFWFLSA-N 2 1 294.483 3.334 20 0 CGADMP CCC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000450347314 374071301 /nfs/dbraw/zinc/07/13/01/374071301.db2.gz HOCHRDONGZENII-QGZVFWFLSA-N 2 1 294.483 3.334 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181122043 374083015 /nfs/dbraw/zinc/08/30/15/374083015.db2.gz RQSNDNGVOCDJAJ-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430497 374123188 /nfs/dbraw/zinc/12/31/88/374123188.db2.gz SELKPGHPLPQVIB-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430497 374123195 /nfs/dbraw/zinc/12/31/95/374123195.db2.gz SELKPGHPLPQVIB-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430497 374123201 /nfs/dbraw/zinc/12/32/01/374123201.db2.gz SELKPGHPLPQVIB-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C1=C(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCC1 ZINC000450429458 374123770 /nfs/dbraw/zinc/12/37/70/374123770.db2.gz ZUXDQDFKPLWPBL-KRWDZBQOSA-N 2 1 262.441 3.437 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462537 374145666 /nfs/dbraw/zinc/14/56/66/374145666.db2.gz HEXJMMLWLJIHHX-HUUCEWRRSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462537 374145673 /nfs/dbraw/zinc/14/56/73/374145673.db2.gz HEXJMMLWLJIHHX-HUUCEWRRSA-N 2 1 288.426 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462537 374145682 /nfs/dbraw/zinc/14/56/82/374145682.db2.gz HEXJMMLWLJIHHX-HUUCEWRRSA-N 2 1 288.426 3.476 20 0 CGADMP COc1cc(F)cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000312271515 374275595 /nfs/dbraw/zinc/27/55/95/374275595.db2.gz GGDLHHYRNQKZQW-UHFFFAOYSA-N 2 1 294.414 3.233 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCCC(F)(F)F ZINC000452094357 374233932 /nfs/dbraw/zinc/23/39/32/374233932.db2.gz INRFNIKAXUFQSR-UHFFFAOYSA-N 2 1 266.351 3.183 20 0 CGADMP C[N@@H+](CCCCF)C1CCN(CCC(F)(F)F)CC1 ZINC000452121956 374243675 /nfs/dbraw/zinc/24/36/75/374243675.db2.gz UBZMXEPEADOZMX-UHFFFAOYSA-N 2 1 284.341 3.085 20 0 CGADMP CC[C@H](F)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452126273 374243982 /nfs/dbraw/zinc/24/39/82/374243982.db2.gz ZUERDDXNTVCHDQ-NSHDSACASA-N 2 1 284.341 3.083 20 0 CGADMP CC[C@H](F)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452126273 374243993 /nfs/dbraw/zinc/24/39/93/374243993.db2.gz ZUERDDXNTVCHDQ-NSHDSACASA-N 2 1 284.341 3.083 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC000311573074 374247210 /nfs/dbraw/zinc/24/72/10/374247210.db2.gz AWZQCVGAAYNTDR-RDJZCZTQSA-N 2 1 260.425 3.344 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)c1 ZINC000311573073 374247377 /nfs/dbraw/zinc/24/73/77/374247377.db2.gz AWZQCVGAAYNTDR-NVXWUHKLSA-N 2 1 260.425 3.344 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000182759192 374322509 /nfs/dbraw/zinc/32/25/09/374322509.db2.gz IMUYFTOVXBIOPT-UHFFFAOYSA-N 2 1 293.455 3.317 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183101135 374372066 /nfs/dbraw/zinc/37/20/66/374372066.db2.gz ZEXQZYXYBFOJCO-LSDHHAIUSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101135 374372071 /nfs/dbraw/zinc/37/20/71/374372071.db2.gz ZEXQZYXYBFOJCO-LSDHHAIUSA-N 2 1 276.424 3.331 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183387116 374409803 /nfs/dbraw/zinc/40/98/03/374409803.db2.gz TYLNHFDHVPGMSW-MSOLQXFVSA-N 2 1 272.436 3.082 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CC1 ZINC000453407719 374474752 /nfs/dbraw/zinc/47/47/52/374474752.db2.gz SHBQKDPXMRPMPI-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000090417336 541961206 /nfs/dbraw/zinc/96/12/06/541961206.db2.gz MSIQDEHAAHGBLN-RISCZKNCSA-N 2 1 283.485 3.469 20 0 CGADMP C[C@@H]([N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)C1(C)CC1 ZINC000091900305 541971650 /nfs/dbraw/zinc/97/16/50/541971650.db2.gz LMNSJPKJQWTSTP-OAHLLOKOSA-N 2 1 290.451 3.247 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000459781820 374821095 /nfs/dbraw/zinc/82/10/95/374821095.db2.gz MOQQCBVCFZSSPQ-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000258863522 572329118 /nfs/dbraw/zinc/32/91/18/572329118.db2.gz IXIQZALESVVTAS-OAHLLOKOSA-N 2 1 260.425 3.025 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000474262734 375091457 /nfs/dbraw/zinc/09/14/57/375091457.db2.gz BQZVVLBSVBVCPB-HNNXBMFYSA-N 2 1 290.426 3.306 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000474262734 375091462 /nfs/dbraw/zinc/09/14/62/375091462.db2.gz BQZVVLBSVBVCPB-HNNXBMFYSA-N 2 1 290.426 3.306 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[C@H]1C ZINC000481990523 375167495 /nfs/dbraw/zinc/16/74/95/375167495.db2.gz JLZHDENEDMFROO-FFRIZKCHSA-N 2 1 266.473 3.377 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000474605518 375119317 /nfs/dbraw/zinc/11/93/17/375119317.db2.gz LANZHPGRBLBXDL-OWSLCNJRSA-N 2 1 296.499 3.292 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491588278 375334019 /nfs/dbraw/zinc/33/40/19/375334019.db2.gz GQXPALBNNNYOFZ-LBPRGKRZSA-N 2 1 268.832 3.190 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000335644333 375337069 /nfs/dbraw/zinc/33/70/69/375337069.db2.gz UCALJFTUAIECNV-WFASDCNBSA-N 2 1 278.827 3.401 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000335644333 375337074 /nfs/dbraw/zinc/33/70/74/375337074.db2.gz UCALJFTUAIECNV-WFASDCNBSA-N 2 1 278.827 3.401 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1[NH3+] ZINC000335786473 375429489 /nfs/dbraw/zinc/42/94/89/375429489.db2.gz NZTPURJMPBGTDP-ACJLOTCBSA-N 2 1 299.393 3.057 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@@H]1[NH3+] ZINC000335786473 375429500 /nfs/dbraw/zinc/42/95/00/375429500.db2.gz NZTPURJMPBGTDP-ACJLOTCBSA-N 2 1 299.393 3.057 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000120969938 542013732 /nfs/dbraw/zinc/01/37/32/542013732.db2.gz MPVGXTYQJFFIAN-KRWDZBQOSA-N 2 1 294.389 3.416 20 0 CGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CC1CCC1 ZINC000192019922 375689984 /nfs/dbraw/zinc/68/99/84/375689984.db2.gz AQQYLIVIKWANIW-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119309 375700567 /nfs/dbraw/zinc/70/05/67/375700567.db2.gz BPFVSVHUDSEWON-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP CC[C@@H](C)C[N@@H+](CC)Cc1cccc2c1CC[NH2+]C2 ZINC000123999368 542030299 /nfs/dbraw/zinc/03/02/99/542030299.db2.gz JHNITIMIALTKDN-CQSZACIVSA-N 2 1 260.425 3.200 20 0 CGADMP CC(C)C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000123939594 542030569 /nfs/dbraw/zinc/03/05/69/542030569.db2.gz BBGCOHHJDIPJPF-UHFFFAOYSA-N 2 1 260.425 3.199 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000507499361 375708537 /nfs/dbraw/zinc/70/85/37/375708537.db2.gz YVBRHIPKOYEPOG-TWMKSMIVSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000192536539 375762085 /nfs/dbraw/zinc/76/20/85/375762085.db2.gz MKKJELVXYDWWIO-BPQIPLTHSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193016255 375815142 /nfs/dbraw/zinc/81/51/42/375815142.db2.gz ICVKUPWXHDZTTM-GOOCMWNKSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[N@H+]1CC[C@H](CNCc2sccc2Cl)C1 ZINC000193036353 375818270 /nfs/dbraw/zinc/81/82/70/375818270.db2.gz XKKQSYUDMKHFPV-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000193036353 375818275 /nfs/dbraw/zinc/81/82/75/375818275.db2.gz XKKQSYUDMKHFPV-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000193036353 375818280 /nfs/dbraw/zinc/81/82/80/375818280.db2.gz XKKQSYUDMKHFPV-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@H]1CCCF)C1CCCC1 ZINC000510667330 375788289 /nfs/dbraw/zinc/78/82/89/375788289.db2.gz GULFSADKBXCJCS-HOCLYGCPSA-N 2 1 270.436 3.369 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H]1CCCF)C1CCCC1 ZINC000510667330 375788293 /nfs/dbraw/zinc/78/82/93/375788293.db2.gz GULFSADKBXCJCS-HOCLYGCPSA-N 2 1 270.436 3.369 20 0 CGADMP CC(C[NH+]1CCCC1(C)C)C[N@H+]1CCCC1(C)C ZINC000516893226 375823505 /nfs/dbraw/zinc/82/35/05/375823505.db2.gz ZJILNPMPFINWOF-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000520564842 375864510 /nfs/dbraw/zinc/86/45/10/375864510.db2.gz DDVCHNGNQWSTBL-QZTJIDSGSA-N 2 1 290.451 3.361 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336616976 375879201 /nfs/dbraw/zinc/87/92/01/375879201.db2.gz HJQGBNBJHHBRGV-OOJKYFRXSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)c2ccsc2S1 ZINC000336712086 375916954 /nfs/dbraw/zinc/91/69/54/375916954.db2.gz NRMNBJCJYDDTPV-PWSUYJOCSA-N 2 1 270.467 3.215 20 0 CGADMP C1CCC2(C1)CCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336886060 376018573 /nfs/dbraw/zinc/01/85/73/376018573.db2.gz BJBQPURLGJEFNP-ARFHVFGLSA-N 2 1 262.441 3.316 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000535468153 376038377 /nfs/dbraw/zinc/03/83/77/376038377.db2.gz HTYNGEXWEJWRDY-MSOLQXFVSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000535468153 376038383 /nfs/dbraw/zinc/03/83/83/376038383.db2.gz HTYNGEXWEJWRDY-MSOLQXFVSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000535468153 376038391 /nfs/dbraw/zinc/03/83/91/376038391.db2.gz HTYNGEXWEJWRDY-MSOLQXFVSA-N 2 1 274.452 3.424 20 0 CGADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000536852111 376137190 /nfs/dbraw/zinc/13/71/90/376137190.db2.gz MGJCLSCJHAIFFI-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000536879593 376141574 /nfs/dbraw/zinc/14/15/74/376141574.db2.gz XGBSTUNFEDFERW-YJBOKZPZSA-N 2 1 298.430 3.148 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)ccc2c1 ZINC000215977223 376155432 /nfs/dbraw/zinc/15/54/32/376155432.db2.gz DKIPQNIHRMVCEG-ZFWWWQNUSA-N 2 1 284.403 3.018 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337236759 376155558 /nfs/dbraw/zinc/15/55/58/376155558.db2.gz CIZFWTNJPOVIOQ-JFIYKMOQSA-N 2 1 289.467 3.428 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C2(CC)CC)C1 ZINC000537296790 376160340 /nfs/dbraw/zinc/16/03/40/376160340.db2.gz ZZIQGQNJPLUODU-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000537294555 376161456 /nfs/dbraw/zinc/16/14/56/376161456.db2.gz FBAQPGDDMCCMTG-BRWVUGGUSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C)C1CCOCC1 ZINC000537951891 376211379 /nfs/dbraw/zinc/21/13/79/376211379.db2.gz IDPCCGHXRQNTDH-ZWKOTPCHSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C)C1CCOCC1 ZINC000537951891 376211386 /nfs/dbraw/zinc/21/13/86/376211386.db2.gz IDPCCGHXRQNTDH-ZWKOTPCHSA-N 2 1 296.499 3.292 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000536698867 376123258 /nfs/dbraw/zinc/12/32/58/376123258.db2.gz XSHRLSXPTNCZFY-OAHLLOKOSA-N 2 1 292.492 3.474 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000536698867 376123262 /nfs/dbraw/zinc/12/32/62/376123262.db2.gz XSHRLSXPTNCZFY-OAHLLOKOSA-N 2 1 292.492 3.474 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000536698867 376123268 /nfs/dbraw/zinc/12/32/68/376123268.db2.gz XSHRLSXPTNCZFY-OAHLLOKOSA-N 2 1 292.492 3.474 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000536698867 376123270 /nfs/dbraw/zinc/12/32/70/376123270.db2.gz XSHRLSXPTNCZFY-OAHLLOKOSA-N 2 1 292.492 3.474 20 0 CGADMP CCC[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000538950355 376281671 /nfs/dbraw/zinc/28/16/71/376281671.db2.gz BUQGFFFBRJNRBF-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc3ccccc23)CC[N@@H+]1C ZINC000538720102 376261020 /nfs/dbraw/zinc/26/10/20/376261020.db2.gz GTEHPRDKTGALML-ZBFHGGJFSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc3ccccc23)CC[N@H+]1C ZINC000538720102 376261024 /nfs/dbraw/zinc/26/10/24/376261024.db2.gz GTEHPRDKTGALML-ZBFHGGJFSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc3ccccc23)CC[NH+]1C ZINC000538720102 376261032 /nfs/dbraw/zinc/26/10/32/376261032.db2.gz GTEHPRDKTGALML-ZBFHGGJFSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc3ccccc23)CC[NH+]1C ZINC000538720102 376261037 /nfs/dbraw/zinc/26/10/37/376261037.db2.gz GTEHPRDKTGALML-ZBFHGGJFSA-N 2 1 283.419 3.149 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCC(C)(C)C1 ZINC000538738959 376265302 /nfs/dbraw/zinc/26/53/02/376265302.db2.gz YRPGQLYRRCXGHH-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000338290156 376316157 /nfs/dbraw/zinc/31/61/57/376316157.db2.gz VZNGRLDUAGQAQR-UHFFFAOYSA-N 2 1 264.388 3.136 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000226332403 376353288 /nfs/dbraw/zinc/35/32/88/376353288.db2.gz VSNMSXGJNKQEQO-RWMBFGLXSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000226436232 376359778 /nfs/dbraw/zinc/35/97/78/376359778.db2.gz PSRCWPGJXGSCDW-WBVHZDCISA-N 2 1 260.425 3.459 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCC)C2)C1(C)C ZINC000540597301 376384120 /nfs/dbraw/zinc/38/41/20/376384120.db2.gz LDLPINMBNDAJAR-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000541202639 376426729 /nfs/dbraw/zinc/42/67/29/376426729.db2.gz HUCDXNHUVSKUSB-AWEZNQCLSA-N 2 1 280.481 3.484 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000541202639 376426732 /nfs/dbraw/zinc/42/67/32/376426732.db2.gz HUCDXNHUVSKUSB-AWEZNQCLSA-N 2 1 280.481 3.484 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC000230047324 376482107 /nfs/dbraw/zinc/48/21/07/376482107.db2.gz PGRWXJUJEBZLII-CEXWTWQISA-N 2 1 280.415 3.399 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(C)CC2)[C@H](C)C1 ZINC000542506528 376548890 /nfs/dbraw/zinc/54/88/90/376548890.db2.gz DLBMRIQGSQBSJO-MYBQVCMBSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC(C)CC2)[C@H](C)C1 ZINC000542506528 376548893 /nfs/dbraw/zinc/54/88/93/376548893.db2.gz DLBMRIQGSQBSJO-MYBQVCMBSA-N 2 1 266.473 3.475 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)[C@@H](C)C1 ZINC000543428799 376640405 /nfs/dbraw/zinc/64/04/05/376640405.db2.gz DSEFXRKCBDJLKP-MELADBBJSA-N 2 1 272.502 3.084 20 0 CGADMP CCc1nocc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000339174320 376725725 /nfs/dbraw/zinc/72/57/25/376725725.db2.gz TYARRYMCIOAKFP-UHFFFAOYSA-N 2 1 299.418 3.123 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000339440074 376756560 /nfs/dbraw/zinc/75/65/60/376756560.db2.gz XKAZXYWXHCZKQE-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000339440074 376756567 /nfs/dbraw/zinc/75/65/67/376756567.db2.gz XKAZXYWXHCZKQE-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000339440074 376756579 /nfs/dbraw/zinc/75/65/79/376756579.db2.gz XKAZXYWXHCZKQE-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158891902 542144886 /nfs/dbraw/zinc/14/48/86/542144886.db2.gz CIUZOVKHBLIVEL-UKRRQHHQSA-N 2 1 285.435 3.091 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(F)cc2Cl)C1 ZINC000339840334 376867243 /nfs/dbraw/zinc/86/72/43/376867243.db2.gz JKJHMDQYFSGCSI-CZUORRHYSA-N 2 1 296.817 3.395 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000556868826 376892394 /nfs/dbraw/zinc/89/23/94/376892394.db2.gz WRZBSPFIJSMBKS-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000556868826 376892405 /nfs/dbraw/zinc/89/24/05/376892405.db2.gz WRZBSPFIJSMBKS-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000556868826 376892416 /nfs/dbraw/zinc/89/24/16/376892416.db2.gz WRZBSPFIJSMBKS-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000556868826 376892424 /nfs/dbraw/zinc/89/24/24/376892424.db2.gz WRZBSPFIJSMBKS-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP c1csc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246129555 376972190 /nfs/dbraw/zinc/97/21/90/376972190.db2.gz KTNVLZNTQDJPDX-XJKSGUPXSA-N 2 1 276.449 3.197 20 0 CGADMP c1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246129555 376972196 /nfs/dbraw/zinc/97/21/96/376972196.db2.gz KTNVLZNTQDJPDX-XJKSGUPXSA-N 2 1 276.449 3.197 20 0 CGADMP c1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246129555 376972201 /nfs/dbraw/zinc/97/22/01/376972201.db2.gz KTNVLZNTQDJPDX-XJKSGUPXSA-N 2 1 276.449 3.197 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000245906390 376932789 /nfs/dbraw/zinc/93/27/89/376932789.db2.gz UECWPOGFEDCXKE-UXLLHSPISA-N 2 1 262.441 3.053 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000246420206 377027584 /nfs/dbraw/zinc/02/75/84/377027584.db2.gz IGIOJJDBFZJUHI-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000246420216 377029046 /nfs/dbraw/zinc/02/90/46/377029046.db2.gz IGIOJJDBFZJUHI-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@H](C)C1 ZINC000340447987 377064528 /nfs/dbraw/zinc/06/45/28/377064528.db2.gz IKMNBKRYGJBFQA-CJNGLKHVSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@H](C)C1 ZINC000340447987 377064536 /nfs/dbraw/zinc/06/45/36/377064536.db2.gz IKMNBKRYGJBFQA-CJNGLKHVSA-N 2 1 272.392 3.253 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000246838569 377100640 /nfs/dbraw/zinc/10/06/40/377100640.db2.gz BMKJRCPKYKPEMF-MELADBBJSA-N 2 1 250.386 3.111 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000247298130 377190641 /nfs/dbraw/zinc/19/06/41/377190641.db2.gz OPJOSYGZTYTNLC-QXSJWSMHSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000247298130 377190650 /nfs/dbraw/zinc/19/06/50/377190650.db2.gz OPJOSYGZTYTNLC-QXSJWSMHSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000247298130 377190655 /nfs/dbraw/zinc/19/06/55/377190655.db2.gz OPJOSYGZTYTNLC-QXSJWSMHSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC)cc2)C1 ZINC000246970721 377129792 /nfs/dbraw/zinc/12/97/92/377129792.db2.gz JDNJSZLEVIXGJL-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)[C@H](C)C1 ZINC000247014700 377138578 /nfs/dbraw/zinc/13/85/78/377138578.db2.gz MLQFBNMCHXUEGA-KURKYZTESA-N 2 1 294.483 3.069 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247045692 377148383 /nfs/dbraw/zinc/14/83/83/377148383.db2.gz MYHLLJDYUJPWOU-HUUCEWRRSA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247045692 377148386 /nfs/dbraw/zinc/14/83/86/377148386.db2.gz MYHLLJDYUJPWOU-HUUCEWRRSA-N 2 1 283.419 3.227 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000247053919 377149738 /nfs/dbraw/zinc/14/97/38/377149738.db2.gz NLAXUNCPYCWPAB-SOLBZPMBSA-N 2 1 274.452 3.164 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247094094 377156571 /nfs/dbraw/zinc/15/65/71/377156571.db2.gz POSDLXYMLBCERN-MAUKXSAKSA-N 2 1 290.451 3.186 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000247096526 377160396 /nfs/dbraw/zinc/16/03/96/377160396.db2.gz PSTXRBAAAAZEDI-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000560523804 377164526 /nfs/dbraw/zinc/16/45/26/377164526.db2.gz CKMYJKBHJQIUFB-WWGRRREGSA-N 2 1 296.405 3.358 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000560523804 377164533 /nfs/dbraw/zinc/16/45/33/377164533.db2.gz CKMYJKBHJQIUFB-WWGRRREGSA-N 2 1 296.405 3.358 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000247184056 377171895 /nfs/dbraw/zinc/17/18/95/377171895.db2.gz SIQNWLJEWSGOQF-YOEHRIQHSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@@H](NCc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000247225619 377179940 /nfs/dbraw/zinc/17/99/40/377179940.db2.gz WQTZUNJDAWPVGE-QWHCGFSZSA-N 2 1 281.469 3.086 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nc(C)sc32)C1 ZINC000247240662 377184436 /nfs/dbraw/zinc/18/44/36/377184436.db2.gz YYBQYYVSKDYHIU-KBPBESRZSA-N 2 1 293.480 3.150 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562019662 377267202 /nfs/dbraw/zinc/26/72/02/377267202.db2.gz NVWZIDSMIWOJMT-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](c1c(F)cccc1F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247936594 377246427 /nfs/dbraw/zinc/24/64/27/377246427.db2.gz COIMPLCDQYZPQV-DVOMOZLQSA-N 2 1 294.389 3.442 20 0 CGADMP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCSc2ccc(F)cc21 ZINC000247944561 377246860 /nfs/dbraw/zinc/24/68/60/377246860.db2.gz HFFVLPKSMVBQDF-HIFRSBDPSA-N 2 1 294.439 3.437 20 0 CGADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCSc2ccc(F)cc21 ZINC000247944561 377246868 /nfs/dbraw/zinc/24/68/68/377246868.db2.gz HFFVLPKSMVBQDF-HIFRSBDPSA-N 2 1 294.439 3.437 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247983898 377251775 /nfs/dbraw/zinc/25/17/75/377251775.db2.gz IQQKWOYMQXWLAJ-KMFMINBZSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248155180 377272288 /nfs/dbraw/zinc/27/22/88/377272288.db2.gz RHQDHZSOXILJPM-PVAVHDDUSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248155180 377272296 /nfs/dbraw/zinc/27/22/96/377272296.db2.gz RHQDHZSOXILJPM-PVAVHDDUSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248155180 377272301 /nfs/dbraw/zinc/27/23/01/377272301.db2.gz RHQDHZSOXILJPM-PVAVHDDUSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248179051 377276715 /nfs/dbraw/zinc/27/67/15/377276715.db2.gz WBUPKVAAZFBCIZ-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248179051 377276722 /nfs/dbraw/zinc/27/67/22/377276722.db2.gz WBUPKVAAZFBCIZ-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000248199099 377280295 /nfs/dbraw/zinc/28/02/95/377280295.db2.gz XZPPIYDTOGDNIZ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000248199099 377280302 /nfs/dbraw/zinc/28/03/02/377280302.db2.gz XZPPIYDTOGDNIZ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000248199099 377280313 /nfs/dbraw/zinc/28/03/13/377280313.db2.gz XZPPIYDTOGDNIZ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000248199099 377280317 /nfs/dbraw/zinc/28/03/17/377280317.db2.gz XZPPIYDTOGDNIZ-GOEBONIOSA-N 2 1 278.827 3.256 20 0 CGADMP CCCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402114 377308983 /nfs/dbraw/zinc/30/89/83/377308983.db2.gz MSMDXHSXOVDRHZ-YESZJQIVSA-N 2 1 296.499 3.434 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341248282 377464590 /nfs/dbraw/zinc/46/45/90/377464590.db2.gz XLWITBBVQKYQLU-OFQRWUPVSA-N 2 1 292.492 3.412 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341248282 377464593 /nfs/dbraw/zinc/46/45/93/377464593.db2.gz XLWITBBVQKYQLU-OFQRWUPVSA-N 2 1 292.492 3.412 20 0 CGADMP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000249193566 377477437 /nfs/dbraw/zinc/47/74/37/377477437.db2.gz AMIKAJMZDSCWPR-IIAWOOMASA-N 2 1 296.480 3.003 20 0 CGADMP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000249193566 377477444 /nfs/dbraw/zinc/47/74/44/377477444.db2.gz AMIKAJMZDSCWPR-IIAWOOMASA-N 2 1 296.480 3.003 20 0 CGADMP C[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249714127 377523663 /nfs/dbraw/zinc/52/36/63/377523663.db2.gz HCMARDYPQODIDQ-OBMMGQTPSA-N 2 1 250.430 3.006 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(F)c2)CC1 ZINC000092165910 249033145 /nfs/dbraw/zinc/03/31/45/249033145.db2.gz UZCQOXMIMPWUST-UHFFFAOYSA-N 2 1 278.415 3.440 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(F)c2)CC1 ZINC000092165910 249033148 /nfs/dbraw/zinc/03/31/48/249033148.db2.gz UZCQOXMIMPWUST-UHFFFAOYSA-N 2 1 278.415 3.440 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093515537 249037699 /nfs/dbraw/zinc/03/76/99/249037699.db2.gz TXJFDTJTCDXYOB-FUHWJXTLSA-N 3 1 295.515 3.151 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000037649081 249003207 /nfs/dbraw/zinc/00/32/07/249003207.db2.gz VWKGOVFTEDGLHF-JSGCOSHPSA-N 2 1 264.438 3.273 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000313230893 249089019 /nfs/dbraw/zinc/08/90/19/249089019.db2.gz SNUXTDAHJGTBQI-FPMFFAJLSA-N 2 1 296.817 3.472 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000250110089 377552741 /nfs/dbraw/zinc/55/27/41/377552741.db2.gz KBIAGSHZJXFIPZ-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250540159 377563282 /nfs/dbraw/zinc/56/32/82/377563282.db2.gz VAGZOXWAFUFBLI-BQFCYCMXSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000250908732 377569143 /nfs/dbraw/zinc/56/91/43/377569143.db2.gz SVMOYTNLMJEQOE-MAZHCROVSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000472477717 249168053 /nfs/dbraw/zinc/16/80/53/249168053.db2.gz QUDKKKPVUTTXRY-WMZOPIPTSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477717 249168055 /nfs/dbraw/zinc/16/80/55/249168055.db2.gz QUDKKKPVUTTXRY-WMZOPIPTSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477717 249168058 /nfs/dbraw/zinc/16/80/58/249168058.db2.gz QUDKKKPVUTTXRY-WMZOPIPTSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000250894197 377569506 /nfs/dbraw/zinc/56/95/06/377569506.db2.gz HWFYMQPJGOMQBG-RCBQFDQVSA-N 2 1 262.372 3.103 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000516577216 249237584 /nfs/dbraw/zinc/23/75/84/249237584.db2.gz MWHFUJZCTSBYFG-HUUCEWRRSA-N 2 1 299.462 3.345 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000516577216 249237585 /nfs/dbraw/zinc/23/75/85/249237585.db2.gz MWHFUJZCTSBYFG-HUUCEWRRSA-N 2 1 299.462 3.345 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000251376756 377580185 /nfs/dbraw/zinc/58/01/85/377580185.db2.gz YGNKVUSLIJUSBS-IUODEOHRSA-N 2 1 252.377 3.192 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251424112 377582694 /nfs/dbraw/zinc/58/26/94/377582694.db2.gz HUYFFULLRLBEAO-SCRDCRAPSA-N 2 1 298.377 3.408 20 0 CGADMP COC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000518359918 249279430 /nfs/dbraw/zinc/27/94/30/249279430.db2.gz ARHGPMAHEPRMJR-OAHLLOKOSA-N 2 1 284.831 3.005 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251859879 377600145 /nfs/dbraw/zinc/60/01/45/377600145.db2.gz PTMSPQZMIRBYLN-AFLMIKJESA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000252195456 377617975 /nfs/dbraw/zinc/61/79/75/377617975.db2.gz VLJANJCVZDVPPY-WOONOFOCSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC000252134984 377614811 /nfs/dbraw/zinc/61/48/11/377614811.db2.gz MLJBINOZNBKSOB-FAHTYWLASA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000252134984 377614814 /nfs/dbraw/zinc/61/48/14/377614814.db2.gz MLJBINOZNBKSOB-FAHTYWLASA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000252708676 377652731 /nfs/dbraw/zinc/65/27/31/377652731.db2.gz AVBROUKKGYHIIV-RDTXWAMCSA-N 2 1 268.404 3.270 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000574924476 377725588 /nfs/dbraw/zinc/72/55/88/377725588.db2.gz PCXLBTBUXRBXRN-UONOGXRCSA-N 2 1 263.429 3.252 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000574924476 377725590 /nfs/dbraw/zinc/72/55/90/377725590.db2.gz PCXLBTBUXRBXRN-UONOGXRCSA-N 2 1 263.429 3.252 20 0 CGADMP Fc1cccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182211986 542222621 /nfs/dbraw/zinc/22/26/21/542222621.db2.gz KDTMSYGVMKHVRI-HZPDHXFCSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182211986 542222624 /nfs/dbraw/zinc/22/26/24/542222624.db2.gz KDTMSYGVMKHVRI-HZPDHXFCSA-N 2 1 274.383 3.031 20 0 CGADMP CCC1CC([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000342701276 377742767 /nfs/dbraw/zinc/74/27/67/377742767.db2.gz RHBCGEZVDIZDQA-UHFFFAOYSA-N 2 1 273.424 3.137 20 0 CGADMP C[C@@]1(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)CC[NH2+]C1 ZINC000261681798 377840264 /nfs/dbraw/zinc/84/02/64/377840264.db2.gz AHOMJCLNZLWRNG-NVXWUHKLSA-N 2 1 290.476 3.100 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261554715 377815669 /nfs/dbraw/zinc/81/56/69/377815669.db2.gz BCRXUZRKLISYNJ-OICBVUGWSA-N 2 1 264.800 3.070 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261602989 377825379 /nfs/dbraw/zinc/82/53/79/377825379.db2.gz CBWMRKOOAOGUMI-MLGOLLRUSA-N 2 1 296.361 3.034 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261653711 377834938 /nfs/dbraw/zinc/83/49/38/377834938.db2.gz YLZGYHPCYVEACY-NUEKZKHPSA-N 2 1 278.827 3.475 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261653711 377834945 /nfs/dbraw/zinc/83/49/45/377834945.db2.gz YLZGYHPCYVEACY-NUEKZKHPSA-N 2 1 278.827 3.475 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000255896974 377786061 /nfs/dbraw/zinc/78/60/61/377786061.db2.gz VGJXTLNVYYPDJU-YIEVGGLXSA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000255896974 377786065 /nfs/dbraw/zinc/78/60/65/377786065.db2.gz VGJXTLNVYYPDJU-YIEVGGLXSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255896974 377786071 /nfs/dbraw/zinc/78/60/71/377786071.db2.gz VGJXTLNVYYPDJU-YIEVGGLXSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255896974 377786076 /nfs/dbraw/zinc/78/60/76/377786076.db2.gz VGJXTLNVYYPDJU-YIEVGGLXSA-N 2 1 276.399 3.113 20 0 CGADMP CCC[N@@H+](CC1CCCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261695494 377839217 /nfs/dbraw/zinc/83/92/17/377839217.db2.gz BVRFWJPEQREGFS-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)on2)cc1 ZINC000261996619 377878643 /nfs/dbraw/zinc/87/86/43/377878643.db2.gz UPDPUEREOFLKPS-OAHLLOKOSA-N 2 1 299.418 3.211 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C12CCCCC2 ZINC000262033410 377882962 /nfs/dbraw/zinc/88/29/62/377882962.db2.gz OGZZFUWLTOEPDZ-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[C@@H]1CCCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262056566 377884340 /nfs/dbraw/zinc/88/43/40/377884340.db2.gz QTCRLYYSMYDMHY-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](CCc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000262050784 377884503 /nfs/dbraw/zinc/88/45/03/377884503.db2.gz QEHKBXNIDPNAHW-HNNXBMFYSA-N 2 1 266.454 3.002 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)on2)cc1 ZINC000262444796 377898924 /nfs/dbraw/zinc/89/89/24/377898924.db2.gz HDSMTEXNLUPLCV-GOEBONIOSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)on2)cc1 ZINC000262444796 377898928 /nfs/dbraw/zinc/89/89/28/377898928.db2.gz HDSMTEXNLUPLCV-GOEBONIOSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000262117696 377888098 /nfs/dbraw/zinc/88/80/98/377888098.db2.gz KIEUEACCZNHYLJ-WBAXXEDZSA-N 2 1 295.430 3.102 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262146761 377889688 /nfs/dbraw/zinc/88/96/88/377889688.db2.gz ZPGLVIPAUQZZKP-QZTJIDSGSA-N 2 1 272.436 3.040 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262146748 377890448 /nfs/dbraw/zinc/89/04/48/377890448.db2.gz ZPGLVIPAUQZZKP-MSOLQXFVSA-N 2 1 272.436 3.040 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261710441 377842904 /nfs/dbraw/zinc/84/29/04/377842904.db2.gz JJSLNKSFQUCDND-JKSUJKDBSA-N 2 1 272.436 3.025 20 0 CGADMP Cc1ncsc1C[N@@H+](CCC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC000261785964 377852826 /nfs/dbraw/zinc/85/28/26/377852826.db2.gz FVKLUJOTFQDHSF-CQSZACIVSA-N 2 1 295.496 3.299 20 0 CGADMP CC[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCC[NH+](C)C ZINC000575955998 378003326 /nfs/dbraw/zinc/00/33/26/378003326.db2.gz FRCFNBOXUHRBJM-FNORWQNLSA-N 2 1 282.378 3.252 20 0 CGADMP CC[N@H+](C/C=C/c1ccc(F)c(F)c1)CCC[NH+](C)C ZINC000575955998 378003330 /nfs/dbraw/zinc/00/33/30/378003330.db2.gz FRCFNBOXUHRBJM-FNORWQNLSA-N 2 1 282.378 3.252 20 0 CGADMP COc1ccccc1/C=C/C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343621947 378043961 /nfs/dbraw/zinc/04/39/61/378043961.db2.gz MVWCNYOXWAUDTB-JXMROGBWSA-N 2 1 288.435 3.126 20 0 CGADMP COc1ccccc1/C=C/C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343621947 378043964 /nfs/dbraw/zinc/04/39/64/378043964.db2.gz MVWCNYOXWAUDTB-JXMROGBWSA-N 2 1 288.435 3.126 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000343727314 378077309 /nfs/dbraw/zinc/07/73/09/378077309.db2.gz IQLRGTQVVDSXDR-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000343727314 378077310 /nfs/dbraw/zinc/07/73/10/378077310.db2.gz IQLRGTQVVDSXDR-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000578927142 378114428 /nfs/dbraw/zinc/11/44/28/378114428.db2.gz YVPFIJROSPCSPH-CVEARBPZSA-N 2 1 262.441 3.499 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000578927142 378114432 /nfs/dbraw/zinc/11/44/32/378114432.db2.gz YVPFIJROSPCSPH-CVEARBPZSA-N 2 1 262.441 3.499 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c[nH]c2c1 ZINC000268817236 378120705 /nfs/dbraw/zinc/12/07/05/378120705.db2.gz NYXCCASNBIMNAD-GOEBONIOSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nc(C(C)(C)C)cs1 ZINC000579004784 378121212 /nfs/dbraw/zinc/12/12/12/378121212.db2.gz PONISLBJZKONAH-QJPTWQEYSA-N 2 1 281.469 3.361 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC000268849362 378130470 /nfs/dbraw/zinc/13/04/70/378130470.db2.gz PMAYDWQDAUHSEV-WMLDXEAASA-N 2 1 288.435 3.004 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000579313939 378148731 /nfs/dbraw/zinc/14/87/31/378148731.db2.gz UVAILUCBWCONPX-QZTJIDSGSA-N 2 1 283.419 3.437 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268708972 378094426 /nfs/dbraw/zinc/09/44/26/378094426.db2.gz JHTVCXMMNDOPAF-ZOBUZTSGSA-N 2 1 260.425 3.428 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268708972 378094431 /nfs/dbraw/zinc/09/44/31/378094431.db2.gz JHTVCXMMNDOPAF-ZOBUZTSGSA-N 2 1 260.425 3.428 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000268918875 378152706 /nfs/dbraw/zinc/15/27/06/378152706.db2.gz PVKJBXKKQRUMRS-ZQIUZPCESA-N 2 1 278.415 3.249 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)s2)C1 ZINC000269129705 378190894 /nfs/dbraw/zinc/19/08/94/378190894.db2.gz IRJIPBRCNYFBJC-AAEUAGOBSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)s2)C1 ZINC000269129705 378190896 /nfs/dbraw/zinc/19/08/96/378190896.db2.gz IRJIPBRCNYFBJC-AAEUAGOBSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)s2)C1 ZINC000269129705 378190899 /nfs/dbraw/zinc/19/08/99/378190899.db2.gz IRJIPBRCNYFBJC-AAEUAGOBSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)s2)C1 ZINC000269129705 378190901 /nfs/dbraw/zinc/19/09/01/378190901.db2.gz IRJIPBRCNYFBJC-AAEUAGOBSA-N 2 1 284.856 3.318 20 0 CGADMP CC[N@@H+](CCCOc1ccccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345206157 378222895 /nfs/dbraw/zinc/22/28/95/378222895.db2.gz OPQIQXJMAGCJCI-KRWDZBQOSA-N 2 1 290.451 3.228 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000579974401 378214339 /nfs/dbraw/zinc/21/43/39/378214339.db2.gz DTBZNYOZWYEBKP-UHFFFAOYSA-N 2 1 295.789 3.277 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000579974401 378214343 /nfs/dbraw/zinc/21/43/43/378214343.db2.gz DTBZNYOZWYEBKP-UHFFFAOYSA-N 2 1 295.789 3.277 20 0 CGADMP CC[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000345178734 378214549 /nfs/dbraw/zinc/21/45/49/378214549.db2.gz VEGLZXCPGQYGHQ-INIZCTEOSA-N 2 1 258.409 3.032 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000344150488 378160982 /nfs/dbraw/zinc/16/09/82/378160982.db2.gz XNMHAPMGCAQBPT-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(F)c1 ZINC000269064565 378183323 /nfs/dbraw/zinc/18/33/23/378183323.db2.gz YMJNOSHZWDQSAJ-CYBMUJFWSA-N 2 1 276.399 3.493 20 0 CGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581038313 378277093 /nfs/dbraw/zinc/27/70/93/378277093.db2.gz CSUQBFLMSOSNOW-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000581038313 378277097 /nfs/dbraw/zinc/27/70/97/378277097.db2.gz CSUQBFLMSOSNOW-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CC1Cc2ccccc2C1 ZINC000582164121 378290269 /nfs/dbraw/zinc/29/02/69/378290269.db2.gz RTAOEDHIMXYPND-UHFFFAOYSA-N 2 1 274.452 3.065 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCCC[C@H]1C ZINC000583330454 378321766 /nfs/dbraw/zinc/32/17/66/378321766.db2.gz ZUDPATSDUHNRDD-ZBFHGGJFSA-N 2 1 263.429 3.253 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCCC[C@H]1C ZINC000583330454 378321773 /nfs/dbraw/zinc/32/17/73/378321773.db2.gz ZUDPATSDUHNRDD-ZBFHGGJFSA-N 2 1 263.429 3.253 20 0 CGADMP Cc1nccn1CC[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000270854908 378405987 /nfs/dbraw/zinc/40/59/87/378405987.db2.gz IXPOBZFGCZLJFU-CRAIPNDOSA-N 2 1 283.419 3.145 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CCCCC2)CC1 ZINC000346313386 217867956 /nfs/dbraw/zinc/86/79/56/217867956.db2.gz PWNMGWNZJLJDNL-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346193260 378498610 /nfs/dbraw/zinc/49/86/10/378498610.db2.gz FQJALSCKRHKCQK-CJNGLKHVSA-N 2 1 284.407 3.196 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000346206811 378503759 /nfs/dbraw/zinc/50/37/59/378503759.db2.gz QXMIKOSRMMCCLM-MRXNPFEDSA-N 2 1 298.434 3.444 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000346334292 378548154 /nfs/dbraw/zinc/54/81/54/378548154.db2.gz QNNAWEKPIAIDPF-INIZCTEOSA-N 2 1 296.418 3.364 20 0 CGADMP c1cn(CCC[N@H+]2CCCC[C@H]2Cc2ccccc2)cn1 ZINC000272045687 378551576 /nfs/dbraw/zinc/55/15/76/378551576.db2.gz YPGTVEHNNBHJCI-SFHVURJKSA-N 2 1 283.419 3.370 20 0 CGADMP CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1(CC)CC ZINC000346272883 378529035 /nfs/dbraw/zinc/52/90/35/378529035.db2.gz HPXGLFDPDVZNRF-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(CC)CC ZINC000346272883 378529040 /nfs/dbraw/zinc/52/90/40/378529040.db2.gz HPXGLFDPDVZNRF-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC[C@@H]2CCO2)C1 ZINC000637978345 378656668 /nfs/dbraw/zinc/65/66/68/378656668.db2.gz NUTTWYUVQPEOSU-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000637978345 378656676 /nfs/dbraw/zinc/65/66/76/378656676.db2.gz NUTTWYUVQPEOSU-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000637978345 378656684 /nfs/dbraw/zinc/65/66/84/378656684.db2.gz NUTTWYUVQPEOSU-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346652734 378662749 /nfs/dbraw/zinc/66/27/49/378662749.db2.gz HXVHCTLQULUKIY-CHWSQXEVSA-N 2 1 272.392 3.164 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1F ZINC000272694474 378690352 /nfs/dbraw/zinc/69/03/52/378690352.db2.gz XOMIAFDJVGCIPQ-INIZCTEOSA-N 2 1 262.372 3.128 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272706183 378692498 /nfs/dbraw/zinc/69/24/98/378692498.db2.gz BSBXAAAFMFMVQH-VYDXJSESSA-N 2 1 292.492 3.238 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346833856 378692477 /nfs/dbraw/zinc/69/24/77/378692477.db2.gz MRVALYQGEBMEDZ-QGZVFWFLSA-N 2 1 260.425 3.144 20 0 CGADMP C(C1CC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000346848729 378695152 /nfs/dbraw/zinc/69/51/52/378695152.db2.gz QPSPAIYRXAPDDL-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2OC)C[C@H]1C ZINC000638110721 378703268 /nfs/dbraw/zinc/70/32/68/378703268.db2.gz OZJIVPDOLHPRMV-CVEARBPZSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2OC)C[C@H]1C ZINC000638110721 378703274 /nfs/dbraw/zinc/70/32/74/378703274.db2.gz OZJIVPDOLHPRMV-CVEARBPZSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2OC)C[C@H]1C ZINC000638110721 378703279 /nfs/dbraw/zinc/70/32/79/378703279.db2.gz OZJIVPDOLHPRMV-CVEARBPZSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2OC)C[C@H]1C ZINC000638110721 378703285 /nfs/dbraw/zinc/70/32/85/378703285.db2.gz OZJIVPDOLHPRMV-CVEARBPZSA-N 2 1 290.451 3.308 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000346994628 378704267 /nfs/dbraw/zinc/70/42/67/378704267.db2.gz UQHLLSOAXLKXLC-ZOBUZTSGSA-N 2 1 290.476 3.165 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(C(C)C)CC2)C1 ZINC000638128597 378710527 /nfs/dbraw/zinc/71/05/27/378710527.db2.gz UZDUYBJMQCQNQP-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(C(C)C)CC2)C1 ZINC000638128597 378710534 /nfs/dbraw/zinc/71/05/34/378710534.db2.gz UZDUYBJMQCQNQP-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2(C(C)C)CC2)C1 ZINC000638128597 378710540 /nfs/dbraw/zinc/71/05/40/378710540.db2.gz UZDUYBJMQCQNQP-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133958 378713459 /nfs/dbraw/zinc/71/34/59/378713459.db2.gz MBEIVSOWFYUKNB-INIZCTEOSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133958 378713461 /nfs/dbraw/zinc/71/34/61/378713461.db2.gz MBEIVSOWFYUKNB-INIZCTEOSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133958 378713466 /nfs/dbraw/zinc/71/34/66/378713466.db2.gz MBEIVSOWFYUKNB-INIZCTEOSA-N 2 1 290.451 3.118 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000638462174 378811470 /nfs/dbraw/zinc/81/14/70/378811470.db2.gz JUYUAOKBZGKTLO-ZBFHGGJFSA-N 2 1 261.413 3.306 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@](C)(OC)C2CC2)c1 ZINC000638562441 378835880 /nfs/dbraw/zinc/83/58/80/378835880.db2.gz DYDRPLMUXPZQSD-SFHVURJKSA-N 2 1 290.451 3.043 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348249175 378864184 /nfs/dbraw/zinc/86/41/84/378864184.db2.gz UTMVYOBHTQCNKS-IRXDYDNUSA-N 2 1 260.425 3.110 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000348249698 378864989 /nfs/dbraw/zinc/86/49/89/378864989.db2.gz VLCCEQYEUQWYOH-DLBZAZTESA-N 2 1 260.425 3.110 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000348249698 378864992 /nfs/dbraw/zinc/86/49/92/378864992.db2.gz VLCCEQYEUQWYOH-DLBZAZTESA-N 2 1 260.425 3.110 20 0 CGADMP COC1CC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348254155 378865764 /nfs/dbraw/zinc/86/57/64/378865764.db2.gz NKYRMUOVRADPQU-VWDMACCTSA-N 2 1 285.391 3.009 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000346994087 218083996 /nfs/dbraw/zinc/08/39/96/218083996.db2.gz UYHHETYNHYNORU-SFHVURJKSA-N 2 1 272.436 3.440 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347041527 218103209 /nfs/dbraw/zinc/10/32/09/218103209.db2.gz LADNLNUPIOBVRR-SWLSCSKDSA-N 2 1 266.816 3.126 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347041527 218103210 /nfs/dbraw/zinc/10/32/10/218103210.db2.gz LADNLNUPIOBVRR-SWLSCSKDSA-N 2 1 266.816 3.126 20 0 CGADMP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638968495 378961701 /nfs/dbraw/zinc/96/17/01/378961701.db2.gz AXEXMBOZDQBPLX-BFYDXBDKSA-N 2 1 282.472 3.044 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000276688584 378980649 /nfs/dbraw/zinc/98/06/49/378980649.db2.gz RSJBDIIOHPVLDV-SFHVURJKSA-N 2 1 283.419 3.484 20 0 CGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(C)c1OC(F)F ZINC000347109935 218124213 /nfs/dbraw/zinc/12/42/13/218124213.db2.gz PRZFPBAPCULZAZ-UHFFFAOYSA-N 2 1 298.377 3.089 20 0 CGADMP Cc1cc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)oc1C ZINC000370306622 379005459 /nfs/dbraw/zinc/00/54/59/379005459.db2.gz WOTBHZHFVWONCR-NWANDNLSSA-N 2 1 262.397 3.174 20 0 CGADMP Cc1cc(Br)ccc1C[N@@H+](C)CCC[NH+](C)C ZINC000348919794 379112686 /nfs/dbraw/zinc/11/26/86/379112686.db2.gz HNBWJPCVGRCGPC-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP Cc1cc(Br)ccc1C[N@H+](C)CCC[NH+](C)C ZINC000348919794 379112697 /nfs/dbraw/zinc/11/26/97/379112697.db2.gz HNBWJPCVGRCGPC-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP CCc1ccccc1CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000277561177 379189960 /nfs/dbraw/zinc/18/99/60/379189960.db2.gz AIINAFPWMAISKP-MAUKXSAKSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000277561177 379189966 /nfs/dbraw/zinc/18/99/66/379189966.db2.gz AIINAFPWMAISKP-MAUKXSAKSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000277561177 379189973 /nfs/dbraw/zinc/18/99/73/379189973.db2.gz AIINAFPWMAISKP-MAUKXSAKSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000277561177 379189982 /nfs/dbraw/zinc/18/99/82/379189982.db2.gz AIINAFPWMAISKP-MAUKXSAKSA-N 2 1 274.452 3.206 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC1(F)F ZINC000639322432 379275722 /nfs/dbraw/zinc/27/57/22/379275722.db2.gz SORGQGKODQUUFO-SGMGOOAPSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC1(F)F ZINC000639322432 379275727 /nfs/dbraw/zinc/27/57/27/379275727.db2.gz SORGQGKODQUUFO-SGMGOOAPSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000278918138 194212259 /nfs/dbraw/zinc/21/22/59/194212259.db2.gz HNLBSKJXDGZABS-OLZOCXBDSA-N 2 1 275.421 3.166 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000349933599 379451341 /nfs/dbraw/zinc/45/13/41/379451341.db2.gz LLLGLEHVOCYVMZ-VPGVIOTPSA-N 2 1 292.373 3.194 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000349988579 379470993 /nfs/dbraw/zinc/47/09/93/379470993.db2.gz FGHLHYLKIRVVKT-SJLPKXTDSA-N 2 1 272.436 3.206 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000349988579 379471001 /nfs/dbraw/zinc/47/10/01/379471001.db2.gz FGHLHYLKIRVVKT-SJLPKXTDSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000375095574 379485463 /nfs/dbraw/zinc/48/54/63/379485463.db2.gz YKRKDMPEELIFAV-OHRKKDJYSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000375095574 379485476 /nfs/dbraw/zinc/48/54/76/379485476.db2.gz YKRKDMPEELIFAV-OHRKKDJYSA-N 2 1 250.430 3.170 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757248 379569952 /nfs/dbraw/zinc/56/99/52/379569952.db2.gz JSORPOHTIRNBTN-HNNXBMFYSA-N 2 1 288.435 3.174 20 0 CGADMP CSc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639760439 379572873 /nfs/dbraw/zinc/57/28/73/379572873.db2.gz YCJACMWZNKHQTP-UHFFFAOYSA-N 2 1 290.476 3.326 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000267197220 190310419 /nfs/dbraw/zinc/31/04/19/190310419.db2.gz FGFZSNXEAQFTGJ-CQSZACIVSA-N 2 1 269.392 3.013 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000280602340 379743285 /nfs/dbraw/zinc/74/32/85/379743285.db2.gz JIUMOIHQXSSIHZ-JCNLHEQBSA-N 2 1 281.403 3.183 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccsc1)CC1CCCC1 ZINC000352525603 379844927 /nfs/dbraw/zinc/84/49/27/379844927.db2.gz HLEZQGGISIKWJZ-UHFFFAOYSA-N 2 1 252.427 3.089 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000352534526 379847291 /nfs/dbraw/zinc/84/72/91/379847291.db2.gz HLXHIOWEUPNXGE-CYBMUJFWSA-N 2 1 279.453 3.114 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnc(C2CCC2)s1 ZINC000352534526 379847299 /nfs/dbraw/zinc/84/72/99/379847299.db2.gz HLXHIOWEUPNXGE-CYBMUJFWSA-N 2 1 279.453 3.114 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541003 379848915 /nfs/dbraw/zinc/84/89/15/379848915.db2.gz SCVLSSRYODOMJJ-KRWDZBQOSA-N 2 1 286.444 3.477 20 0 CGADMP CCc1ncc(C[N@@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000352546355 379852279 /nfs/dbraw/zinc/85/22/79/379852279.db2.gz UBFXWVCMIHTKOE-UHFFFAOYSA-N 2 1 281.469 3.047 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000352568300 379861295 /nfs/dbraw/zinc/86/12/95/379861295.db2.gz XQYBVNZLMKDUNI-UYSNPLJNSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000380383536 379864061 /nfs/dbraw/zinc/86/40/61/379864061.db2.gz UVCGJTYSBHCWHW-BXUZGUMPSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000380383536 379864068 /nfs/dbraw/zinc/86/40/68/379864068.db2.gz UVCGJTYSBHCWHW-BXUZGUMPSA-N 2 1 286.341 3.122 20 0 CGADMP CC(C)C1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392214181 379911700 /nfs/dbraw/zinc/91/17/00/379911700.db2.gz UEXBTFHUYJUDCX-UHFFFAOYSA-N 2 1 250.430 3.053 20 0 CGADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCCCCC1 ZINC000394532734 379919668 /nfs/dbraw/zinc/91/96/68/379919668.db2.gz LSBFCOKSGDRVTF-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCCCC3)C[NH2+]1 ZINC000399072094 379935338 /nfs/dbraw/zinc/93/53/38/379935338.db2.gz FIVGYKNPCZODEN-QLFBSQMISA-N 2 1 250.430 3.220 20 0 CGADMP CC(C)CC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352748054 379936018 /nfs/dbraw/zinc/93/60/18/379936018.db2.gz GVMFHBVEROLHHW-UHFFFAOYSA-N 2 1 281.469 3.121 20 0 CGADMP CC(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282543927 379942016 /nfs/dbraw/zinc/94/20/16/379942016.db2.gz WOISHXONTJSVDT-INIZCTEOSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282543927 379942019 /nfs/dbraw/zinc/94/20/19/379942019.db2.gz WOISHXONTJSVDT-INIZCTEOSA-N 2 1 260.425 3.285 20 0 CGADMP CCc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000352774915 379952034 /nfs/dbraw/zinc/95/20/34/379952034.db2.gz YNSBCZGMMHUDRR-HOTGVXAUSA-N 2 1 289.467 3.102 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352771519 379952598 /nfs/dbraw/zinc/95/25/98/379952598.db2.gz NPHUZINNPCAZBL-TZMCWYRMSA-N 2 1 281.469 3.263 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352785445 379957971 /nfs/dbraw/zinc/95/79/71/379957971.db2.gz GLWSHNGQNSIISE-QWHCGFSZSA-N 2 1 281.469 3.263 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352785443 379958566 /nfs/dbraw/zinc/95/85/66/379958566.db2.gz GLWSHNGQNSIISE-OLZOCXBDSA-N 2 1 281.469 3.263 20 0 CGADMP CSc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000352838047 379992303 /nfs/dbraw/zinc/99/23/03/379992303.db2.gz DKAKJOBQACFXEE-UHFFFAOYSA-N 2 1 284.494 3.432 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cnccc2C)C[C@@H]1C ZINC000347871914 218385092 /nfs/dbraw/zinc/38/50/92/218385092.db2.gz TUOOCDNSJAECJS-WMZOPIPTSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cnccc2C)C[C@@H]1C ZINC000347871914 218385093 /nfs/dbraw/zinc/38/50/93/218385093.db2.gz TUOOCDNSJAECJS-WMZOPIPTSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cnccc2C)C[C@@H]1C ZINC000347871914 218385095 /nfs/dbraw/zinc/38/50/95/218385095.db2.gz TUOOCDNSJAECJS-WMZOPIPTSA-N 2 1 289.467 3.127 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000283433853 380063682 /nfs/dbraw/zinc/06/36/82/380063682.db2.gz SPALFMOPIZJHTN-FZCLSBEQSA-N 2 1 272.436 3.110 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000641796033 380109061 /nfs/dbraw/zinc/10/90/61/380109061.db2.gz CXHZYSTZJBCCSN-OAHLLOKOSA-N 2 1 299.418 3.081 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000641796033 380109065 /nfs/dbraw/zinc/10/90/65/380109065.db2.gz CXHZYSTZJBCCSN-OAHLLOKOSA-N 2 1 299.418 3.081 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000353944561 380247624 /nfs/dbraw/zinc/24/76/24/380247624.db2.gz KQAMFYXNRNQSGK-GFCCVEGCSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)[C@H](C)C1 ZINC000414343812 380214733 /nfs/dbraw/zinc/21/47/33/380214733.db2.gz YTTBPBPRWGEETH-QXSJWSMHSA-N 2 1 296.499 3.289 20 0 CGADMP COC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353593385 380215314 /nfs/dbraw/zinc/21/53/14/380215314.db2.gz KUJDILWJNVLMJU-YZMJHREJSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000643501497 380322579 /nfs/dbraw/zinc/32/25/79/380322579.db2.gz JDEUACPXFQRICC-GDBMZVCRSA-N 2 1 260.425 3.084 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000354098598 380323443 /nfs/dbraw/zinc/32/34/43/380323443.db2.gz YRTVFQRHUFBADQ-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000354098598 380323447 /nfs/dbraw/zinc/32/34/47/380323447.db2.gz YRTVFQRHUFBADQ-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000354098598 380323457 /nfs/dbraw/zinc/32/34/57/380323457.db2.gz YRTVFQRHUFBADQ-INIZCTEOSA-N 2 1 297.446 3.332 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCSc3ccccc31)C2 ZINC000279054328 194264634 /nfs/dbraw/zinc/26/46/34/194264634.db2.gz YJGNZDZFHGANAC-UKRRQHHQSA-N 2 1 299.443 3.272 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000643457609 380309544 /nfs/dbraw/zinc/30/95/44/380309544.db2.gz PXKCGISHVGKMDX-GDBMZVCRSA-N 2 1 290.451 3.093 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000643457081 380310432 /nfs/dbraw/zinc/31/04/32/380310432.db2.gz QLKWYJHAYCAWJC-HNNXBMFYSA-N 2 1 283.419 3.394 20 0 CGADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547448 380363841 /nfs/dbraw/zinc/36/38/41/380363841.db2.gz FRLDBCIGKPDHOY-ABAIWWIYSA-N 2 1 292.373 3.216 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414673146 380365244 /nfs/dbraw/zinc/36/52/44/380365244.db2.gz BVWSYZYPWRGVKB-OLZOCXBDSA-N 2 1 296.842 3.169 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2c(F)cccc2Cl)CC[NH2+]1 ZINC000414673547 380365425 /nfs/dbraw/zinc/36/54/25/380365425.db2.gz COJDNZWIFRGORP-VXGBXAGGSA-N 2 1 284.806 3.299 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682628 380371176 /nfs/dbraw/zinc/37/11/76/380371176.db2.gz YRUUORMOVRZLIN-JHJVBQTASA-N 2 1 282.378 3.346 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000414700701 380380126 /nfs/dbraw/zinc/38/01/26/380380126.db2.gz VBALWYNYFQGAPG-HOTGVXAUSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@]3(CC=CCC3)C2)CC[NH2+]1 ZINC000414712890 380386231 /nfs/dbraw/zinc/38/62/31/380386231.db2.gz UPJVXXVQWLNUMP-BRWVUGGUSA-N 2 1 262.441 3.197 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC000414743832 380390873 /nfs/dbraw/zinc/39/08/73/380390873.db2.gz PFPABLDNAZMDJO-CABCVRRESA-N 2 1 272.436 3.168 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414741770 380390923 /nfs/dbraw/zinc/39/09/23/380390923.db2.gz LBPTVIRNPZZAHA-KGLIPLIRSA-N 2 1 278.465 3.228 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000643525958 380341322 /nfs/dbraw/zinc/34/13/22/380341322.db2.gz KINXAGORNJEXLP-CABCVRRESA-N 2 1 284.403 3.263 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000643545925 380357503 /nfs/dbraw/zinc/35/75/03/380357503.db2.gz FQBUELZVNQCPRX-JSGCOSHPSA-N 2 1 292.398 3.160 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546527 380359630 /nfs/dbraw/zinc/35/96/30/380359630.db2.gz QEFVCMKMUOZOBX-HUUCEWRRSA-N 2 1 288.435 3.329 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cn1 ZINC000643547299 380361065 /nfs/dbraw/zinc/36/10/65/380361065.db2.gz CMUHLQAEXDJBPP-ZBFHGGJFSA-N 2 1 291.414 3.182 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547350 380361932 /nfs/dbraw/zinc/36/19/32/380361932.db2.gz DFIFAUXKSQMUAI-MLGOLLRUSA-N 2 1 292.373 3.216 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000414670772 380362097 /nfs/dbraw/zinc/36/20/97/380362097.db2.gz MSIVUZQVONDJQX-MQIPJXDCSA-N 2 1 296.817 3.347 20 0 CGADMP Cc1cc(F)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000414670772 380362101 /nfs/dbraw/zinc/36/21/01/380362101.db2.gz MSIVUZQVONDJQX-MQIPJXDCSA-N 2 1 296.817 3.347 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000414817866 380428339 /nfs/dbraw/zinc/42/83/39/380428339.db2.gz UAORTKFXIZQXHM-DOTOQJQBSA-N 2 1 262.441 3.423 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414818847 380429456 /nfs/dbraw/zinc/42/94/56/380429456.db2.gz WVHFXXWNJZBLNA-SWLSCSKDSA-N 2 1 252.377 3.036 20 0 CGADMP CCOc1cccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000414830070 380437508 /nfs/dbraw/zinc/43/75/08/380437508.db2.gz ALPJKXYXTYRGMN-QGZVFWFLSA-N 2 1 276.424 3.083 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[NH2+]C ZINC000414832419 380440318 /nfs/dbraw/zinc/44/03/18/380440318.db2.gz RDTQKXUSELYYNS-GFCCVEGCSA-N 2 1 275.223 3.124 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC000414833409 380442101 /nfs/dbraw/zinc/44/21/01/380442101.db2.gz FMBVHOFZACPXTH-DLBZAZTESA-N 2 1 292.854 3.304 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C3CCC3)CCCC2)CC1 ZINC000354472102 380452680 /nfs/dbraw/zinc/45/26/80/380452680.db2.gz XBIZHQMIWRJQPW-OAHLLOKOSA-N 2 1 294.483 3.188 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414780322 380401270 /nfs/dbraw/zinc/40/12/70/380401270.db2.gz LIINAJDPQBUQAL-KGLIPLIRSA-N 2 1 296.817 3.301 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414785626 380403665 /nfs/dbraw/zinc/40/36/65/380403665.db2.gz SVVJHXZQLKBBRB-HZPDHXFCSA-N 2 1 290.476 3.230 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414787737 380404379 /nfs/dbraw/zinc/40/43/79/380404379.db2.gz CMFSYQBUDZVHIR-OAHLLOKOSA-N 2 1 274.433 3.488 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414786235 380404747 /nfs/dbraw/zinc/40/47/47/380404747.db2.gz UICXMGWHVWLGOZ-NJAFHUGGSA-N 2 1 272.436 3.112 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000414792219 380406311 /nfs/dbraw/zinc/40/63/11/380406311.db2.gz BYJSICXCANBKQB-SFHVURJKSA-N 2 1 266.388 3.181 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414791674 380407241 /nfs/dbraw/zinc/40/72/41/380407241.db2.gz IEOGSQTVRPZRCV-LBPRGKRZSA-N 2 1 254.443 3.119 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414796123 380410936 /nfs/dbraw/zinc/41/09/36/380410936.db2.gz NNTTXKDNQITORE-AWEZNQCLSA-N 2 1 254.805 3.030 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000414810776 380422801 /nfs/dbraw/zinc/42/28/01/380422801.db2.gz OHLCZHBXTFCCJK-UHFFFAOYSA-N 2 1 254.805 3.256 20 0 CGADMP C[C@@H](C[NH3+])[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414946159 380502089 /nfs/dbraw/zinc/50/20/89/380502089.db2.gz RRHACUOKZDJQMQ-WHWKNOJMSA-N 2 1 296.414 3.216 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)s1 ZINC000415053986 380506530 /nfs/dbraw/zinc/50/65/30/380506530.db2.gz PHYVFVBCOGSABY-HOCLYGCPSA-N 2 1 278.465 3.329 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCC2)CC1 ZINC000354636825 380508521 /nfs/dbraw/zinc/50/85/21/380508521.db2.gz STKRGTMIGYWDRD-UHFFFAOYSA-N 2 1 285.366 3.048 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414867227 380465781 /nfs/dbraw/zinc/46/57/81/380465781.db2.gz HZKDKAHYZXPTSS-SJORKVTESA-N 2 1 260.425 3.086 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CC[NH2+]C1 ZINC000414882496 380473918 /nfs/dbraw/zinc/47/39/18/380473918.db2.gz MPLPTUUREAEZJQ-STQMWFEESA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H](O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000354851778 380561399 /nfs/dbraw/zinc/56/13/99/380561399.db2.gz IWCIOBCGEDFMEX-IAGOWNOFSA-N 2 1 296.499 3.124 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000417339568 380597720 /nfs/dbraw/zinc/59/77/20/380597720.db2.gz OISNMJWFQYQHPA-NJAFHUGGSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000417339568 380597723 /nfs/dbraw/zinc/59/77/23/380597723.db2.gz OISNMJWFQYQHPA-NJAFHUGGSA-N 2 1 284.447 3.429 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201506 380622988 /nfs/dbraw/zinc/62/29/88/380622988.db2.gz BDQRYQOSQXAMHY-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201506 380622992 /nfs/dbraw/zinc/62/29/92/380622992.db2.gz BDQRYQOSQXAMHY-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201506 380622997 /nfs/dbraw/zinc/62/29/97/380622997.db2.gz BDQRYQOSQXAMHY-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP CCSCC[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000355754773 380768133 /nfs/dbraw/zinc/76/81/33/380768133.db2.gz PXHLUPILFDBUHK-GASCZTMLSA-N 2 1 272.502 3.087 20 0 CGADMP Cc1ccc(C[NH+](CC[C@H]2CCC[N@H+]2C)CC2CC2)cn1 ZINC000646019882 380800445 /nfs/dbraw/zinc/80/04/45/380800445.db2.gz LXQHGDOMBSDZTQ-GOSISDBHSA-N 2 1 287.451 3.086 20 0 CGADMP Cc1ccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)CC2CC2)cn1 ZINC000646019882 380800451 /nfs/dbraw/zinc/80/04/51/380800451.db2.gz LXQHGDOMBSDZTQ-GOSISDBHSA-N 2 1 287.451 3.086 20 0 CGADMP Cc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)CC2CC2)cn1 ZINC000646019882 380800454 /nfs/dbraw/zinc/80/04/54/380800454.db2.gz LXQHGDOMBSDZTQ-GOSISDBHSA-N 2 1 287.451 3.086 20 0 CGADMP Cc1ccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)CC2CC2)cn1 ZINC000646019882 380800458 /nfs/dbraw/zinc/80/04/58/380800458.db2.gz LXQHGDOMBSDZTQ-GOSISDBHSA-N 2 1 287.451 3.086 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420305995 380845329 /nfs/dbraw/zinc/84/53/29/380845329.db2.gz QFTLJZACNNRAMW-DOTOQJQBSA-N 2 1 290.476 3.085 20 0 CGADMP C(C[N@H+]1CCC[C@H]1C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000420323353 380848911 /nfs/dbraw/zinc/84/89/11/380848911.db2.gz SXYLQNNECCEUMX-HOCLYGCPSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCCC(F)(F)F)C1CCCCC1 ZINC000420356898 380850879 /nfs/dbraw/zinc/85/08/79/380850879.db2.gz CXZCWFUFUAZAIX-LBPRGKRZSA-N 2 1 266.351 3.216 20 0 CGADMP Clc1cc(Cl)c2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420366056 380852963 /nfs/dbraw/zinc/85/29/63/380852963.db2.gz FKDSPPMCZFONJR-LLVKDONJSA-N 2 1 299.245 3.351 20 0 CGADMP CC[NH+](CC)CCSCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000357735000 381269834 /nfs/dbraw/zinc/26/98/34/381269834.db2.gz XPEJPPDAYIALPF-UHFFFAOYSA-N 2 1 298.471 3.333 20 0 CGADMP Cc1sc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)nc1C(C)C ZINC000361346502 381708833 /nfs/dbraw/zinc/70/88/33/381708833.db2.gz OXULIUCVDGWIDJ-DGCLKSJQSA-N 2 1 281.469 3.005 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000361397948 381730564 /nfs/dbraw/zinc/73/05/64/381730564.db2.gz ZOJFFAMYRPJRIB-KURKYZTESA-N 2 1 272.436 3.206 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000361496957 381775378 /nfs/dbraw/zinc/77/53/78/381775378.db2.gz ODAVQQJYIPNBLP-OWCLPIDISA-N 2 1 290.451 3.225 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000227103133 542292675 /nfs/dbraw/zinc/29/26/75/542292675.db2.gz IWRWTWDLBFDVIU-VQHPVUNQSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000362724710 382108272 /nfs/dbraw/zinc/10/82/72/382108272.db2.gz LHIBQIDXYREVBH-HNNXBMFYSA-N 2 1 273.380 3.054 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000362724710 382108281 /nfs/dbraw/zinc/10/82/81/382108281.db2.gz LHIBQIDXYREVBH-HNNXBMFYSA-N 2 1 273.380 3.054 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000233958484 542308423 /nfs/dbraw/zinc/30/84/23/542308423.db2.gz GFJSIBZNCSXNST-DOMZBBRYSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000233958484 542308430 /nfs/dbraw/zinc/30/84/30/542308430.db2.gz GFJSIBZNCSXNST-DOMZBBRYSA-N 2 1 266.816 3.208 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000366535197 382312477 /nfs/dbraw/zinc/31/24/77/382312477.db2.gz NHRHLALJTFYOMH-UAGQMJEPSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000366535197 382312480 /nfs/dbraw/zinc/31/24/80/382312480.db2.gz NHRHLALJTFYOMH-UAGQMJEPSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000366535197 382312483 /nfs/dbraw/zinc/31/24/83/382312483.db2.gz NHRHLALJTFYOMH-UAGQMJEPSA-N 2 1 262.441 3.006 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)s1 ZINC000251055729 542345279 /nfs/dbraw/zinc/34/52/79/542345279.db2.gz BFBCJXHTNKGSRU-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)s1 ZINC000251055729 542345281 /nfs/dbraw/zinc/34/52/81/542345281.db2.gz BFBCJXHTNKGSRU-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000251213927 542345733 /nfs/dbraw/zinc/34/57/33/542345733.db2.gz DUTJWLWBKYVHBZ-UKRRQHHQSA-N 2 1 264.438 3.021 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423443436 532992947 /nfs/dbraw/zinc/99/29/47/532992947.db2.gz KKNCPEDIFDNLDN-VWYCJHECSA-N 2 1 288.407 3.430 20 0 CGADMP CSc1ccccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424290650 533039808 /nfs/dbraw/zinc/03/98/08/533039808.db2.gz NEEZTMSVSQOBLS-CQSZACIVSA-N 2 1 290.476 3.373 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743215 220292739 /nfs/dbraw/zinc/29/27/39/220292739.db2.gz BOGOFHHWTYOZHZ-WMLDXEAASA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743215 220292741 /nfs/dbraw/zinc/29/27/41/220292741.db2.gz BOGOFHHWTYOZHZ-WMLDXEAASA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743215 220292743 /nfs/dbraw/zinc/29/27/43/220292743.db2.gz BOGOFHHWTYOZHZ-WMLDXEAASA-N 2 1 285.435 3.473 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745335 220295121 /nfs/dbraw/zinc/29/51/21/220295121.db2.gz JCFIHWPFSFKPIL-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745335 220295123 /nfs/dbraw/zinc/29/51/23/220295123.db2.gz JCFIHWPFSFKPIL-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745335 220295125 /nfs/dbraw/zinc/29/51/25/220295125.db2.gz JCFIHWPFSFKPIL-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000337523104 285149074 /nfs/dbraw/zinc/14/90/74/285149074.db2.gz QQFHAKWVFVKRNI-OKZBNKHCSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000289209870 197263693 /nfs/dbraw/zinc/26/36/93/197263693.db2.gz IMHGMGKFFKZHQQ-WBVHZDCISA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccncc1CCC[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000289209870 197263695 /nfs/dbraw/zinc/26/36/95/197263695.db2.gz IMHGMGKFFKZHQQ-WBVHZDCISA-N 2 1 289.467 3.033 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1F ZINC000423513668 533130923 /nfs/dbraw/zinc/13/09/23/533130923.db2.gz VNXHNRNNLRPHDA-NHYWBVRUSA-N 2 1 280.387 3.002 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423501719 533176770 /nfs/dbraw/zinc/17/67/70/533176770.db2.gz LNDQQMMUBNTWPP-GLJUWKHASA-N 2 1 290.451 3.294 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423438631 533177246 /nfs/dbraw/zinc/17/72/46/533177246.db2.gz HCVJYRLVGROYJY-ZQIUZPCESA-N 2 1 278.440 3.498 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423375596 533177902 /nfs/dbraw/zinc/17/79/02/533177902.db2.gz UGOZAMBDYOKFAY-BBRMVZONSA-N 2 1 264.413 3.109 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc3cc(OC)ccc3c2)CC[C@@H]1[NH3+] ZINC000317641522 542438759 /nfs/dbraw/zinc/43/87/59/542438759.db2.gz YJGGEIAUITYFEP-BEFAXECRSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339066085 542486275 /nfs/dbraw/zinc/48/62/75/542486275.db2.gz ATTCAZNUUWFJLN-IXDOHACOSA-N 2 1 287.451 3.304 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000339066085 542486277 /nfs/dbraw/zinc/48/62/77/542486277.db2.gz ATTCAZNUUWFJLN-IXDOHACOSA-N 2 1 287.451 3.304 20 0 CGADMP CC[NH+](CC1CC1)[C@H](C)CC[N@H+](CC)CC1CC1 ZINC000343748343 542501625 /nfs/dbraw/zinc/50/16/25/542501625.db2.gz WPOBDNQCYQUULI-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC[C@@H](C)[N@H+](CC)CC1CC1)CC1CC1 ZINC000343748343 542501627 /nfs/dbraw/zinc/50/16/27/542501627.db2.gz WPOBDNQCYQUULI-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC[C@@H](C)[N@@H+](CC)CC1CC1)CC1CC1 ZINC000343748343 542501630 /nfs/dbraw/zinc/50/16/30/542501630.db2.gz WPOBDNQCYQUULI-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000353457457 542557247 /nfs/dbraw/zinc/55/72/47/542557247.db2.gz ZHDADRAHVMUJSO-CQSZACIVSA-N 2 1 286.423 3.102 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)CC(C)C)C[C@H]1C ZINC000410395046 285396840 /nfs/dbraw/zinc/39/68/40/285396840.db2.gz KLEXKPRYIUPANO-OAGGEKHMSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)C[C@H]1C ZINC000410395046 285396842 /nfs/dbraw/zinc/39/68/42/285396842.db2.gz KLEXKPRYIUPANO-OAGGEKHMSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)CC(C)C)C[C@H]1C ZINC000410395046 285396844 /nfs/dbraw/zinc/39/68/44/285396844.db2.gz KLEXKPRYIUPANO-OAGGEKHMSA-N 2 1 254.462 3.473 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]1 ZINC000423022941 533364388 /nfs/dbraw/zinc/36/43/88/533364388.db2.gz ISDZXAQGXXKSOX-DOMZBBRYSA-N 2 1 278.827 3.102 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1N(C)C ZINC000423530578 533536519 /nfs/dbraw/zinc/53/65/19/533536519.db2.gz PTBHHWSEMOFRAT-MLGOLLRUSA-N 2 1 293.430 3.060 20 0 CGADMP C[C@@H]([NH2+]Cc1cccc(-c2ccccc2)c1)[C@H](C)[NH3+] ZINC000415006657 542641772 /nfs/dbraw/zinc/64/17/72/542641772.db2.gz KUTDBTOBMNXPAG-UONOGXRCSA-N 2 1 254.377 3.179 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCCC2)C1 ZINC000053344075 392084368 /nfs/dbraw/zinc/08/43/68/392084368.db2.gz UKTWIAVWOWKQDV-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCCC2)C1 ZINC000053344075 392084373 /nfs/dbraw/zinc/08/43/73/392084373.db2.gz UKTWIAVWOWKQDV-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C1=CC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000093563687 392239074 /nfs/dbraw/zinc/23/90/74/392239074.db2.gz YZDLRESFPMTBSL-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246097325 131091561 /nfs/dbraw/zinc/09/15/61/131091561.db2.gz AXTOUFCPOAUCSN-DOTOQJQBSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246097325 131091563 /nfs/dbraw/zinc/09/15/63/131091563.db2.gz AXTOUFCPOAUCSN-DOTOQJQBSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246097325 131091564 /nfs/dbraw/zinc/09/15/64/131091564.db2.gz AXTOUFCPOAUCSN-DOTOQJQBSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246097325 131091566 /nfs/dbraw/zinc/09/15/66/131091566.db2.gz AXTOUFCPOAUCSN-DOTOQJQBSA-N 2 1 260.425 3.411 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000249373224 131120986 /nfs/dbraw/zinc/12/09/86/131120986.db2.gz FODKIXACEAEKKB-OCCSQVGLSA-N 2 1 266.454 3.357 20 0 CGADMP CCC1([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000453287944 542681215 /nfs/dbraw/zinc/68/12/15/542681215.db2.gz LEFCAGHLUVMCFN-CVEARBPZSA-N 2 1 258.409 3.354 20 0 CGADMP CCC1([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000453287944 542681218 /nfs/dbraw/zinc/68/12/18/542681218.db2.gz LEFCAGHLUVMCFN-CVEARBPZSA-N 2 1 258.409 3.354 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236040 542701638 /nfs/dbraw/zinc/70/16/38/542701638.db2.gz IDVNQKUDKCCIOS-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236040 542701642 /nfs/dbraw/zinc/70/16/42/542701642.db2.gz IDVNQKUDKCCIOS-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236040 542701646 /nfs/dbraw/zinc/70/16/46/542701646.db2.gz IDVNQKUDKCCIOS-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367633559 392479397 /nfs/dbraw/zinc/47/93/97/392479397.db2.gz IJGRYJOJTSDBHR-HOCLYGCPSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367633559 392479403 /nfs/dbraw/zinc/47/94/03/392479403.db2.gz IJGRYJOJTSDBHR-HOCLYGCPSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367633559 392479411 /nfs/dbraw/zinc/47/94/11/392479411.db2.gz IJGRYJOJTSDBHR-HOCLYGCPSA-N 2 1 290.455 3.031 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371337772 392513822 /nfs/dbraw/zinc/51/38/22/392513822.db2.gz WFBTTZVBNIYCHW-MTSZKFMLSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000153430312 392516929 /nfs/dbraw/zinc/51/69/29/392516929.db2.gz MEEDLXWUHVYRAE-SJLPKXTDSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000158605629 392572146 /nfs/dbraw/zinc/57/21/46/392572146.db2.gz UBTRFJKPTGJFRO-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000158605629 392572154 /nfs/dbraw/zinc/57/21/54/392572154.db2.gz UBTRFJKPTGJFRO-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000158605629 392572160 /nfs/dbraw/zinc/57/21/60/392572160.db2.gz UBTRFJKPTGJFRO-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000158605629 392572170 /nfs/dbraw/zinc/57/21/70/392572170.db2.gz UBTRFJKPTGJFRO-HOCLYGCPSA-N 2 1 278.827 3.256 20 0 CGADMP Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc[nH+]1 ZINC000302555020 392616059 /nfs/dbraw/zinc/61/60/59/392616059.db2.gz JKTMPFPUKSRMHD-SJORKVTESA-N 2 1 287.451 3.481 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cncc(F)c1 ZINC000158676487 392573342 /nfs/dbraw/zinc/57/33/42/392573342.db2.gz HMVPRTFFKNHCSU-KFWWJZLASA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000300316514 392581633 /nfs/dbraw/zinc/58/16/33/392581633.db2.gz RWMMNWAHBAMWGA-QZWWFDLISA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000300316514 392581635 /nfs/dbraw/zinc/58/16/35/392581635.db2.gz RWMMNWAHBAMWGA-QZWWFDLISA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000161570698 392584669 /nfs/dbraw/zinc/58/46/69/392584669.db2.gz ZBECGFVHQHFKAW-CZUORRHYSA-N 2 1 292.854 3.444 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000157081116 392549276 /nfs/dbraw/zinc/54/92/76/392549276.db2.gz YJLSBHKCGMFNOZ-DVOMOZLQSA-N 2 1 280.843 3.201 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000313410235 392666769 /nfs/dbraw/zinc/66/67/69/392666769.db2.gz NSMZMBPCDSWEON-BPUTZDHNSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000313410235 392666773 /nfs/dbraw/zinc/66/67/73/392666773.db2.gz NSMZMBPCDSWEON-BPUTZDHNSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(C)C ZINC000647343965 392693228 /nfs/dbraw/zinc/69/32/28/392693228.db2.gz GRTGQLVSKKVOEB-SQNIBIBYSA-N 2 1 274.452 3.356 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)C2CCCC2)CC[N@@H+]1C ZINC000647330363 392674362 /nfs/dbraw/zinc/67/43/62/392674362.db2.gz HRNWBMJUSTVNSV-XYPHTWIQSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)C2CCCC2)CC[N@H+]1C ZINC000647330363 392674370 /nfs/dbraw/zinc/67/43/70/392674370.db2.gz HRNWBMJUSTVNSV-XYPHTWIQSA-N 2 1 264.457 3.418 20 0 CGADMP COc1ccc([C@H](CC(C)C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000647281333 392633606 /nfs/dbraw/zinc/63/36/06/392633606.db2.gz IUCUQWSBSHZYAN-SFHVURJKSA-N 2 1 290.451 3.466 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000647343027 392690848 /nfs/dbraw/zinc/69/08/48/392690848.db2.gz AMHBQVNORAURMU-OIISXLGYSA-N 2 1 284.403 3.276 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000647343027 392690858 /nfs/dbraw/zinc/69/08/58/392690858.db2.gz AMHBQVNORAURMU-OIISXLGYSA-N 2 1 284.403 3.276 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000372992010 392653678 /nfs/dbraw/zinc/65/36/78/392653678.db2.gz HRLSHMFOIWXXSL-ZBFHGGJFSA-N 2 1 276.424 3.172 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647344115 392692457 /nfs/dbraw/zinc/69/24/57/392692457.db2.gz JJIGEPOCUVVAJK-CHPDAQJUSA-N 2 1 286.463 3.356 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479314 392734408 /nfs/dbraw/zinc/73/44/08/392734408.db2.gz BXJBYRTYZAOTJK-PKOBYXMFSA-N 2 1 295.430 3.199 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482889 392737214 /nfs/dbraw/zinc/73/72/14/392737214.db2.gz GRMNSKAABQZEMQ-UHFFFAOYSA-N 2 1 288.435 3.190 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000647485287 392739020 /nfs/dbraw/zinc/73/90/20/392739020.db2.gz MEWOGGZGXGSIFF-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP FC(F)Oc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647483107 392739069 /nfs/dbraw/zinc/73/90/69/392739069.db2.gz ZOEWWWQDPWZMQL-UHFFFAOYSA-N 2 1 296.361 3.004 20 0 CGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182376398 392744482 /nfs/dbraw/zinc/74/44/82/392744482.db2.gz SEJLIUBJAMVQGT-UGSOOPFHSA-N 2 1 288.410 3.277 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544032 392760015 /nfs/dbraw/zinc/76/00/15/392760015.db2.gz VQCCCGJIQNMVEU-JKSUJKDBSA-N 2 1 290.426 3.346 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542833 392761097 /nfs/dbraw/zinc/76/10/97/392761097.db2.gz COKGDFHPNRDVOW-CVEARBPZSA-N 2 1 276.399 3.037 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc2cn1 ZINC000647545719 392761981 /nfs/dbraw/zinc/76/19/81/392761981.db2.gz JQZSESBQSHSSJE-RBUKOAKNSA-N 2 1 295.430 3.056 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000647545699 392762360 /nfs/dbraw/zinc/76/23/60/392762360.db2.gz GEWHTVZVWQCBNW-RDJZCZTQSA-N 2 1 295.430 3.056 20 0 CGADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000647369065 392710171 /nfs/dbraw/zinc/71/01/71/392710171.db2.gz FIIBXEYDPWPUIE-HZPDHXFCSA-N 2 1 264.457 3.134 20 0 CGADMP FC1(F)CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336252938 392844432 /nfs/dbraw/zinc/84/44/32/392844432.db2.gz DEPDNIOEKBWBQZ-KBPBESRZSA-N 2 1 272.383 3.028 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000487278889 542710504 /nfs/dbraw/zinc/71/05/04/542710504.db2.gz UQWBZHMKHIBCNA-ZDUSSCGKSA-N 2 1 293.480 3.231 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000487278889 542710509 /nfs/dbraw/zinc/71/05/09/542710509.db2.gz UQWBZHMKHIBCNA-ZDUSSCGKSA-N 2 1 293.480 3.231 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000375508726 392787716 /nfs/dbraw/zinc/78/77/16/392787716.db2.gz UUOZXHSVXAYLTL-GDBMZVCRSA-N 2 1 288.435 3.463 20 0 CGADMP Cc1nc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c(C)s1 ZINC000647803175 392804863 /nfs/dbraw/zinc/80/48/63/392804863.db2.gz KMLPBTGDXUJQSB-JTQLQIEISA-N 2 1 275.421 3.069 20 0 CGADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000190512451 392815956 /nfs/dbraw/zinc/81/59/56/392815956.db2.gz ILNSRUACOGAPAL-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP C(C[N@@H+](C1CC1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000647877069 392820734 /nfs/dbraw/zinc/82/07/34/392820734.db2.gz HEOGABSVCQZPEJ-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904158 392829046 /nfs/dbraw/zinc/82/90/46/392829046.db2.gz XWCLZEKQIWGDLH-RTBURBONSA-N 2 1 286.463 3.392 20 0 CGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC000337458807 392886256 /nfs/dbraw/zinc/88/62/56/392886256.db2.gz JTHDMWBCPUMPQC-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000519759658 392892132 /nfs/dbraw/zinc/89/21/32/392892132.db2.gz ONDQMZMHOQZJFP-HUUCEWRRSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000519759658 392892137 /nfs/dbraw/zinc/89/21/37/392892137.db2.gz ONDQMZMHOQZJFP-HUUCEWRRSA-N 2 1 280.431 3.465 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381500833 392909372 /nfs/dbraw/zinc/90/93/72/392909372.db2.gz JDLIITIGFKIPSN-VMNICZJSSA-N 2 1 264.457 3.133 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC1CCCCC1 ZINC000647961388 392847128 /nfs/dbraw/zinc/84/71/28/392847128.db2.gz FPVQGXOBPZXJJG-ZWKOTPCHSA-N 2 1 296.499 3.122 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000647961388 392847133 /nfs/dbraw/zinc/84/71/33/392847133.db2.gz FPVQGXOBPZXJJG-ZWKOTPCHSA-N 2 1 296.499 3.122 20 0 CGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000647961388 392847138 /nfs/dbraw/zinc/84/71/38/392847138.db2.gz FPVQGXOBPZXJJG-ZWKOTPCHSA-N 2 1 296.499 3.122 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977847 392855386 /nfs/dbraw/zinc/85/53/86/392855386.db2.gz IYAMSUCTZYXZCV-ZIAGYGMSSA-N 2 1 292.389 3.431 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000192595188 392855860 /nfs/dbraw/zinc/85/58/60/392855860.db2.gz CEYILRBCHYJVBX-IRXDYDNUSA-N 2 1 287.451 3.481 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977846 392855926 /nfs/dbraw/zinc/85/59/26/392855926.db2.gz IYAMSUCTZYXZCV-UONOGXRCSA-N 2 1 292.389 3.431 20 0 CGADMP CC(C)C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000647990864 392858495 /nfs/dbraw/zinc/85/84/95/392858495.db2.gz ORJVOOOLTGNJQH-WBVHZDCISA-N 2 1 287.451 3.027 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000519641824 392875116 /nfs/dbraw/zinc/87/51/16/392875116.db2.gz VNFDWTOLFAZEFT-CKYFFXLPSA-N 2 1 270.779 3.270 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000521292571 542739005 /nfs/dbraw/zinc/73/90/05/542739005.db2.gz PWOMIDQQEVXNCG-WTTBNOFXSA-N 2 1 264.457 3.133 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000401492019 392951255 /nfs/dbraw/zinc/95/12/55/392951255.db2.gz YSHVORCGDGALQE-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000195135560 392957917 /nfs/dbraw/zinc/95/79/17/392957917.db2.gz AHXXDLVCLMAWML-RDJZCZTQSA-N 2 1 272.436 3.287 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000459746911 392954090 /nfs/dbraw/zinc/95/40/90/392954090.db2.gz ZHBXGYGKKIAUSB-HYVNUMGLSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccncc2)C[C@H]1c1ccccc1 ZINC000340266801 392967470 /nfs/dbraw/zinc/96/74/70/392967470.db2.gz WUEIKWXUZVRDPD-OALUTQOASA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)C[C@H]1c1ccccc1 ZINC000340266801 392967475 /nfs/dbraw/zinc/96/74/75/392967475.db2.gz WUEIKWXUZVRDPD-OALUTQOASA-N 2 1 295.430 3.049 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@@H]1c1ccccc1 ZINC000559856697 542757585 /nfs/dbraw/zinc/75/75/85/542757585.db2.gz TVVAPEBIBBAZCZ-ZQDZILKHSA-N 2 1 280.362 3.065 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@@H]1c1ccccc1 ZINC000559856697 542757588 /nfs/dbraw/zinc/75/75/88/542757588.db2.gz TVVAPEBIBBAZCZ-ZQDZILKHSA-N 2 1 280.362 3.065 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@H]1c1ccccc1 ZINC000559856688 542757728 /nfs/dbraw/zinc/75/77/28/542757728.db2.gz TVVAPEBIBBAZCZ-AJNGGQMLSA-N 2 1 280.362 3.065 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[C@H]1c1ccccc1 ZINC000559856688 542757730 /nfs/dbraw/zinc/75/77/30/542757730.db2.gz TVVAPEBIBBAZCZ-AJNGGQMLSA-N 2 1 280.362 3.065 20 0 CGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340360298 392970163 /nfs/dbraw/zinc/97/01/63/392970163.db2.gz SNANODYCLDPBIF-IRXDYDNUSA-N 2 1 290.451 3.227 20 0 CGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340360298 392970167 /nfs/dbraw/zinc/97/01/67/392970167.db2.gz SNANODYCLDPBIF-IRXDYDNUSA-N 2 1 290.451 3.227 20 0 CGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340360296 392970259 /nfs/dbraw/zinc/97/02/59/392970259.db2.gz SNANODYCLDPBIF-DLBZAZTESA-N 2 1 290.451 3.227 20 0 CGADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340360296 392970262 /nfs/dbraw/zinc/97/02/62/392970262.db2.gz SNANODYCLDPBIF-DLBZAZTESA-N 2 1 290.451 3.227 20 0 CGADMP CCCCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415014006 393097215 /nfs/dbraw/zinc/09/72/15/393097215.db2.gz WDSMYPGWSQYLJV-KBPBESRZSA-N 2 1 264.413 3.081 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1F ZINC000415032867 393104228 /nfs/dbraw/zinc/10/42/28/393104228.db2.gz BDAGTJYSANHHLS-NVXWUHKLSA-N 2 1 276.399 3.098 20 0 CGADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000414705976 393052752 /nfs/dbraw/zinc/05/27/52/393052752.db2.gz NYYUXIYTHVJIMU-INIZCTEOSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000414705976 393052758 /nfs/dbraw/zinc/05/27/58/393052758.db2.gz NYYUXIYTHVJIMU-INIZCTEOSA-N 2 1 250.430 3.197 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695680 393052954 /nfs/dbraw/zinc/05/29/54/393052954.db2.gz GYYCMUSGNSXHDX-BPQIPLTHSA-N 2 1 274.452 3.328 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000415038599 393106531 /nfs/dbraw/zinc/10/65/31/393106531.db2.gz IAIIKXYUOONOEN-AWEZNQCLSA-N 2 1 286.341 3.313 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246414506 393058004 /nfs/dbraw/zinc/05/80/04/393058004.db2.gz BTSMVPPOOHXVET-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246414506 393058010 /nfs/dbraw/zinc/05/80/10/393058010.db2.gz BTSMVPPOOHXVET-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246414506 393058014 /nfs/dbraw/zinc/05/80/14/393058014.db2.gz BTSMVPPOOHXVET-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246414506 393058019 /nfs/dbraw/zinc/05/80/19/393058019.db2.gz BTSMVPPOOHXVET-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000414976535 393075425 /nfs/dbraw/zinc/07/54/25/393075425.db2.gz ICXGKHUEKKSGSD-INIZCTEOSA-N 2 1 284.403 3.189 20 0 CGADMP FC(F)[C@H](CCc1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414979990 393077664 /nfs/dbraw/zinc/07/76/64/393077664.db2.gz VWWDDPNOPFKRCR-HOTGVXAUSA-N 2 1 296.405 3.375 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000414986143 393080328 /nfs/dbraw/zinc/08/03/28/393080328.db2.gz XJGXVPNOWUGRJD-QGZVFWFLSA-N 2 1 268.404 3.489 20 0 CGADMP CCCCCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000414988339 393080648 /nfs/dbraw/zinc/08/06/48/393080648.db2.gz ZQUZUZZIXSORIB-HNNXBMFYSA-N 2 1 264.413 3.083 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000415052358 393114341 /nfs/dbraw/zinc/11/43/41/393114341.db2.gz KTHKHPGJVFSDFN-GFCCVEGCSA-N 2 1 274.330 3.168 20 0 CGADMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C1CCCC1 ZINC000415065496 393123506 /nfs/dbraw/zinc/12/35/06/393123506.db2.gz MXTWIBTVEVEAQX-GIZXNFQBSA-N 2 1 280.362 3.085 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415066040 393125837 /nfs/dbraw/zinc/12/58/37/393125837.db2.gz IMPFJXXMWAVZSJ-HIFRSBDPSA-N 2 1 278.465 3.071 20 0 CGADMP c1cc(-c2ncc(C[NH2+]CCC[NH2+]C3CC3)s2)cs1 ZINC000415066500 393125958 /nfs/dbraw/zinc/12/59/58/393125958.db2.gz IYBHVVRLNKSMGO-UHFFFAOYSA-N 2 1 293.461 3.103 20 0 CGADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252711358 393127124 /nfs/dbraw/zinc/12/71/24/393127124.db2.gz JIMJLIPHKYEQKL-ZOBUZTSGSA-N 2 1 274.383 3.029 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071160 393128070 /nfs/dbraw/zinc/12/80/70/393128070.db2.gz VZPTVRROEPDVGH-IRXDYDNUSA-N 2 1 260.425 3.115 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C[C@H]1c1ccccc1 ZINC000415069781 393128663 /nfs/dbraw/zinc/12/86/63/393128663.db2.gz UAUPVUDLNMIKID-OKDNKWQNSA-N 2 1 272.436 3.286 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415073898 393129768 /nfs/dbraw/zinc/12/97/68/393129768.db2.gz ZZWFSXKDMOLAFD-JQWIXIFHSA-N 2 1 266.351 3.215 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CCCC1 ZINC000415071907 393130301 /nfs/dbraw/zinc/13/03/01/393130301.db2.gz XAHGSRPGMYCFMC-KRWDZBQOSA-N 2 1 258.409 3.171 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415080273 393133384 /nfs/dbraw/zinc/13/33/84/393133384.db2.gz JEHKGNZFIMZWBN-RTBURBONSA-N 2 1 298.405 3.451 20 0 CGADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000261957413 393143201 /nfs/dbraw/zinc/14/32/01/393143201.db2.gz OUQLTMVZDFHWMS-MAUKXSAKSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000415103217 393145250 /nfs/dbraw/zinc/14/52/50/393145250.db2.gz CULRSVAJNQFTBO-QAPCUYQASA-N 2 1 295.430 3.165 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000415124617 393151839 /nfs/dbraw/zinc/15/18/39/393151839.db2.gz OQUITUCHGCLUAI-JSGCOSHPSA-N 2 1 296.842 3.169 20 0 CGADMP COc1cccc2c1ncc(C)c2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468726413 393158387 /nfs/dbraw/zinc/15/83/87/393158387.db2.gz UYJVYZAXGIONKC-ZIAGYGMSSA-N 2 1 299.418 3.446 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CCO1 ZINC000648639394 393158679 /nfs/dbraw/zinc/15/86/79/393158679.db2.gz WYTDOGFAWSKNST-YESZJQIVSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(C)(C)C ZINC000646243260 393245868 /nfs/dbraw/zinc/24/58/68/393245868.db2.gz QCIFJLAPDQGNGY-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C(C)(C)C ZINC000646243260 393245871 /nfs/dbraw/zinc/24/58/71/393245871.db2.gz QCIFJLAPDQGNGY-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(C)(C)C ZINC000646243260 393245874 /nfs/dbraw/zinc/24/58/74/393245874.db2.gz QCIFJLAPDQGNGY-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000469774050 393212831 /nfs/dbraw/zinc/21/28/31/393212831.db2.gz CTLDDYNCBODUIZ-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000471773334 393302287 /nfs/dbraw/zinc/30/22/87/393302287.db2.gz QOJUTDWPNGAQNI-CYBMUJFWSA-N 2 1 289.448 3.425 20 0 CGADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000281403480 393349372 /nfs/dbraw/zinc/34/93/72/393349372.db2.gz YVZANYOLGSXACV-MRXNPFEDSA-N 2 1 294.414 3.142 20 0 CGADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000281403480 393349376 /nfs/dbraw/zinc/34/93/76/393349376.db2.gz YVZANYOLGSXACV-MRXNPFEDSA-N 2 1 294.414 3.142 20 0 CGADMP CN(C[C@@H]1CCC(F)(F)C1)C(C)(C)C[NH+]1CCCC1 ZINC000419373071 393368378 /nfs/dbraw/zinc/36/83/78/393368378.db2.gz MDUVYTIDTGVKHT-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000419776990 393418743 /nfs/dbraw/zinc/41/87/43/393418743.db2.gz FWAJARBUSYTPAY-UHFFFAOYSA-N 2 1 283.366 3.061 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420390599 393480100 /nfs/dbraw/zinc/48/01/00/393480100.db2.gz YMEAZVZTPOYHPZ-QGZVFWFLSA-N 2 1 292.854 3.348 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380077 393480223 /nfs/dbraw/zinc/48/02/23/393480223.db2.gz RDZBMWVZHIPJDS-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380077 393480228 /nfs/dbraw/zinc/48/02/28/393480228.db2.gz RDZBMWVZHIPJDS-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C ZINC000481990525 393438620 /nfs/dbraw/zinc/43/86/20/393438620.db2.gz JLZHDENEDMFROO-MDOLAMBHSA-N 2 1 266.473 3.377 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420297523 393454118 /nfs/dbraw/zinc/45/41/18/393454118.db2.gz GBXXYQFLJNQDLL-ROUUACIJSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1C ZINC000420302867 393457047 /nfs/dbraw/zinc/45/70/47/393457047.db2.gz JTZKAFBSRFPCEM-WMZOPIPTSA-N 2 1 272.436 3.440 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](CC(C)C)C2)cc1 ZINC000420303921 393457542 /nfs/dbraw/zinc/45/75/42/393457542.db2.gz NXHWZUIPSNYQFU-RDJZCZTQSA-N 2 1 290.451 3.106 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000428283908 393460842 /nfs/dbraw/zinc/46/08/42/393460842.db2.gz JLOXUHTVIFVIRP-QSPRXWTASA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000428283908 393460848 /nfs/dbraw/zinc/46/08/48/393460848.db2.gz JLOXUHTVIFVIRP-QSPRXWTASA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000428283908 393460855 /nfs/dbraw/zinc/46/08/55/393460855.db2.gz JLOXUHTVIFVIRP-QSPRXWTASA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000428283908 393460860 /nfs/dbraw/zinc/46/08/60/393460860.db2.gz JLOXUHTVIFVIRP-QSPRXWTASA-N 2 1 264.457 3.393 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000420315075 393461863 /nfs/dbraw/zinc/46/18/63/393461863.db2.gz ZOFJTNTUTWCVAO-CPUCHLNUSA-N 2 1 276.399 3.208 20 0 CGADMP C(C[N@@H+](CC1CC1)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000420313634 393461886 /nfs/dbraw/zinc/46/18/86/393461886.db2.gz YHCODADPPGSDJZ-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000420316000 393463465 /nfs/dbraw/zinc/46/34/65/393463465.db2.gz MCNILAQNXMDCNB-NVXWUHKLSA-N 2 1 260.425 3.459 20 0 CGADMP Clc1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420325002 393468064 /nfs/dbraw/zinc/46/80/64/393468064.db2.gz VXLKZTIYTVSEFE-CYBMUJFWSA-N 2 1 278.827 3.304 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CC1(OC)CCC1)[NH+](C)C ZINC000429524547 393472996 /nfs/dbraw/zinc/47/29/96/393472996.db2.gz XFZRXDPMTDUXPD-GOEBONIOSA-N 2 1 284.488 3.290 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCOc1ccc(Cl)cc1)C1CCCCC1 ZINC000420365622 393475446 /nfs/dbraw/zinc/47/54/46/393475446.db2.gz SJVZVERRMKKYMN-INIZCTEOSA-N 2 1 296.842 3.216 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)c(F)c1 ZINC000420370000 393476618 /nfs/dbraw/zinc/47/66/18/393476618.db2.gz JHRVOVXJPBGVLZ-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CC[C@H](C)[N@H+](C)CCNc1cc[nH+]c2ccsc21 ZINC000357264439 393508753 /nfs/dbraw/zinc/50/87/53/393508753.db2.gz RNQAJTFBXCDNCR-NSHDSACASA-N 2 1 263.410 3.439 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]c2ccsc21 ZINC000357264439 393508757 /nfs/dbraw/zinc/50/87/57/393508757.db2.gz RNQAJTFBXCDNCR-NSHDSACASA-N 2 1 263.410 3.439 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000488434648 393512250 /nfs/dbraw/zinc/51/22/50/393512250.db2.gz JPNSMBICPPEAAV-AJNGGQMLSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CS1 ZINC000488434648 393512254 /nfs/dbraw/zinc/51/22/54/393512254.db2.gz JPNSMBICPPEAAV-AJNGGQMLSA-N 2 1 282.497 3.123 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000430123981 393527015 /nfs/dbraw/zinc/52/70/15/393527015.db2.gz REQOWDBMTCODFV-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000430123981 393527023 /nfs/dbraw/zinc/52/70/23/393527023.db2.gz REQOWDBMTCODFV-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000430123981 393527031 /nfs/dbraw/zinc/52/70/31/393527031.db2.gz REQOWDBMTCODFV-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430124705 393527176 /nfs/dbraw/zinc/52/71/76/393527176.db2.gz LLAMPSVIOGSNEC-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430124705 393527182 /nfs/dbraw/zinc/52/71/82/393527182.db2.gz LLAMPSVIOGSNEC-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430124705 393527189 /nfs/dbraw/zinc/52/71/89/393527189.db2.gz LLAMPSVIOGSNEC-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000430143632 393528763 /nfs/dbraw/zinc/52/87/63/393528763.db2.gz CJRGLOGKFOHWQB-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000430143632 393528768 /nfs/dbraw/zinc/52/87/68/393528768.db2.gz CJRGLOGKFOHWQB-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000430143632 393528775 /nfs/dbraw/zinc/52/87/75/393528775.db2.gz CJRGLOGKFOHWQB-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000623086102 542780068 /nfs/dbraw/zinc/78/00/68/542780068.db2.gz XFMJOZJFBLLTIO-UHFFFAOYSA-N 2 1 269.392 3.020 20 0 CGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430560008 393574676 /nfs/dbraw/zinc/57/46/76/393574676.db2.gz YFECTLWEYYFRMR-IAGOWNOFSA-N 2 1 290.451 3.132 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC000666801090 542816971 /nfs/dbraw/zinc/81/69/71/542816971.db2.gz OVZOBCPKUUZFLX-NVXWUHKLSA-N 2 1 288.435 3.050 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2nccc3ccccc32)CCCCCC1 ZINC000666808160 542817039 /nfs/dbraw/zinc/81/70/39/542817039.db2.gz FHYAGUKTMODOGM-UHFFFAOYSA-N 2 1 283.419 3.376 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432409423 393609923 /nfs/dbraw/zinc/60/99/23/393609923.db2.gz YTMBJCHXXZSMMT-GVDBMIGSSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432409423 393609925 /nfs/dbraw/zinc/60/99/25/393609925.db2.gz YTMBJCHXXZSMMT-GVDBMIGSSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432409425 393609963 /nfs/dbraw/zinc/60/99/63/393609963.db2.gz YTMBJCHXXZSMMT-YESZJQIVSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432409425 393609967 /nfs/dbraw/zinc/60/99/67/393609967.db2.gz YTMBJCHXXZSMMT-YESZJQIVSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419931 393611645 /nfs/dbraw/zinc/61/16/45/393611645.db2.gz HHFUMLRGIOEXAW-TVFCKZIOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419931 393611649 /nfs/dbraw/zinc/61/16/49/393611649.db2.gz HHFUMLRGIOEXAW-TVFCKZIOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000490013125 393625476 /nfs/dbraw/zinc/62/54/76/393625476.db2.gz LROWEAZRVLHAER-SJLPKXTDSA-N 2 1 272.436 3.256 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1F ZINC000423028068 393648559 /nfs/dbraw/zinc/64/85/59/393648559.db2.gz FSKULPLHSRVBNT-ZUZCIYMTSA-N 2 1 284.806 3.374 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc21 ZINC000423189916 393653062 /nfs/dbraw/zinc/65/30/62/393653062.db2.gz QGNDKCIMGJRIIQ-BEFAXECRSA-N 2 1 295.430 3.399 20 0 CGADMP C[NH2+]CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423205470 393655090 /nfs/dbraw/zinc/65/50/90/393655090.db2.gz VSTMEVOYJAJSMQ-LBPRGKRZSA-N 2 1 270.829 3.076 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)COC2 ZINC000423266008 393657383 /nfs/dbraw/zinc/65/73/83/393657383.db2.gz RNCJFKUSTHPYMK-UGSOOPFHSA-N 2 1 288.435 3.275 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000423298831 393660504 /nfs/dbraw/zinc/66/05/04/393660504.db2.gz OXJTZQHFZKVUNO-ZBFHGGJFSA-N 2 1 276.424 3.316 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]1 ZINC000423374328 393663852 /nfs/dbraw/zinc/66/38/52/393663852.db2.gz JTZMJYLLXZXATJ-UXIGCNINSA-N 2 1 294.826 3.284 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000423402673 393665519 /nfs/dbraw/zinc/66/55/19/393665519.db2.gz RPEWZBIPMNIIET-IINYFYTJSA-N 2 1 297.240 3.153 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000443433053 393757302 /nfs/dbraw/zinc/75/73/02/393757302.db2.gz UUMCCZLKEDVHTI-HUUCEWRRSA-N 2 1 281.403 3.004 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000433234995 393701410 /nfs/dbraw/zinc/70/14/10/393701410.db2.gz UIQDFLCXZQPVRV-ZIAGYGMSSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccc(N2CCC([NH2+]C3CC(C)(C)C3)CC2)[nH+]c1 ZINC000433253387 393704973 /nfs/dbraw/zinc/70/49/73/393704973.db2.gz FWKPYTHCPXLYGN-UHFFFAOYSA-N 2 1 273.424 3.137 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)[C@H](C)C1 ZINC000499639017 393803029 /nfs/dbraw/zinc/80/30/29/393803029.db2.gz ZYYKBLRVEYDWEE-KURKYZTESA-N 2 1 298.515 3.395 20 0 CGADMP COc1cccc2c(NCC3([NH+](C)C)CCC3)cc(C)[nH+]c12 ZINC000445597130 393809417 /nfs/dbraw/zinc/80/94/17/393809417.db2.gz QZRYWRVQTZVFBP-UHFFFAOYSA-N 2 1 299.418 3.448 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSC2CCCCC2)CC[N@@H+]1C ZINC000500092705 393816782 /nfs/dbraw/zinc/81/67/82/393816782.db2.gz PVHICFPFJNVZCH-HUUCEWRRSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSC2CCCCC2)CC[N@H+]1C ZINC000500092705 393816785 /nfs/dbraw/zinc/81/67/85/393816785.db2.gz PVHICFPFJNVZCH-HUUCEWRRSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCSC2CCCCC2)CC[NH+]1C ZINC000500092705 393816787 /nfs/dbraw/zinc/81/67/87/393816787.db2.gz PVHICFPFJNVZCH-HUUCEWRRSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCSC2CCCCC2)CC[NH+]1C ZINC000500092705 393816791 /nfs/dbraw/zinc/81/67/91/393816791.db2.gz PVHICFPFJNVZCH-HUUCEWRRSA-N 2 1 284.513 3.467 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C23CCC(CC2)CC3)s1 ZINC000449545602 393894155 /nfs/dbraw/zinc/89/41/55/393894155.db2.gz ZANZADJWKOXEHC-UHFFFAOYSA-N 2 1 279.453 3.017 20 0 CGADMP Fc1cccc(CCC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000503917789 393909162 /nfs/dbraw/zinc/90/91/62/393909162.db2.gz KMYNWSHYQDLDBY-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996866 542833993 /nfs/dbraw/zinc/83/39/93/542833993.db2.gz JJDVAVOLFAEPSL-ZDUSSCGKSA-N 2 1 291.464 3.175 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666998235 542835114 /nfs/dbraw/zinc/83/51/14/542835114.db2.gz IWXUABVENCYIAY-LBPRGKRZSA-N 2 1 293.480 3.205 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453058655 394155259 /nfs/dbraw/zinc/15/52/59/394155259.db2.gz PIFJAFUKVHQPLS-BZSNNMDCSA-N 2 1 270.420 3.182 20 0 CGADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000453089006 394166850 /nfs/dbraw/zinc/16/68/50/394166850.db2.gz QNMWPHRRKKQOMK-DYVFJYSZSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398327 394232588 /nfs/dbraw/zinc/23/25/88/394232588.db2.gz KNSBIQRIALWAIL-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cnn1C(C)C ZINC000453407475 394236624 /nfs/dbraw/zinc/23/66/24/394236624.db2.gz RXXFEJNYAGPTMR-AWEZNQCLSA-N 2 1 292.471 3.297 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453413987 394239543 /nfs/dbraw/zinc/23/95/43/394239543.db2.gz WXDKVNURPOGEBY-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCC1 ZINC000453415163 394239909 /nfs/dbraw/zinc/23/99/09/394239909.db2.gz XDZYZZWRBYXBLF-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453590751 394252513 /nfs/dbraw/zinc/25/25/13/394252513.db2.gz BESQLAIAVDIDIU-CZUORRHYSA-N 2 1 276.424 3.367 20 0 CGADMP C[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)Cc1ccccc1 ZINC000453600242 394254650 /nfs/dbraw/zinc/25/46/50/394254650.db2.gz SAYYOCHUBUZQJM-INIZCTEOSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1ncc(C[N@@H+]2CCSC[C@H]2c2ccccc2)n1C ZINC000667496825 542877794 /nfs/dbraw/zinc/87/77/94/542877794.db2.gz GNQUFLSGTHDDPR-INIZCTEOSA-N 2 1 287.432 3.019 20 0 CGADMP Cc1ncc(C[N@H+]2CCSC[C@H]2c2ccccc2)n1C ZINC000667496825 542877795 /nfs/dbraw/zinc/87/77/95/542877795.db2.gz GNQUFLSGTHDDPR-INIZCTEOSA-N 2 1 287.432 3.019 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667658284 542908477 /nfs/dbraw/zinc/90/84/77/542908477.db2.gz CEXPZMFLGQEBRW-ZFWWWQNUSA-N 2 1 261.413 3.230 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681639 542915625 /nfs/dbraw/zinc/91/56/25/542915625.db2.gz NHWHJOLOFHAIOZ-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1ncc(C[N@H+]2CCc3ccccc3C(C)(C)C2)n1C ZINC000668476398 543018963 /nfs/dbraw/zinc/01/89/63/543018963.db2.gz FDJVJKYSLXCMRB-UHFFFAOYSA-N 2 1 283.419 3.064 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000668817826 543066486 /nfs/dbraw/zinc/06/64/86/543066486.db2.gz AIGPJZNOZTXNCT-SJORKVTESA-N 2 1 262.441 3.197 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000037498676 397608222 /nfs/dbraw/zinc/60/82/22/397608222.db2.gz KOHUIKQJUJGZHS-LBPRGKRZSA-N 2 1 264.417 3.016 20 0 CGADMP CCC[N@@H+](Cc1ccc(CC)s1)C1CC[NH2+]CC1 ZINC000037538886 397608531 /nfs/dbraw/zinc/60/85/31/397608531.db2.gz CFJJERWTUFNYPQ-UHFFFAOYSA-N 2 1 266.454 3.275 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916011 397609627 /nfs/dbraw/zinc/60/96/27/397609627.db2.gz DPILZLPNGPPYMI-PVAVHDDUSA-N 2 1 258.409 3.212 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC2CCC1CC2 ZINC000394253556 397694776 /nfs/dbraw/zinc/69/47/76/397694776.db2.gz FNCPVAKWGPBVDC-BPSKYNCCSA-N 2 1 276.468 3.416 20 0 CGADMP CC[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1[NH3+] ZINC000395100142 397696807 /nfs/dbraw/zinc/69/68/07/397696807.db2.gz HKEGMONQTVRMIH-JKSUJKDBSA-N 2 1 252.446 3.406 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCCC2)cc1 ZINC000399721018 397698636 /nfs/dbraw/zinc/69/86/36/397698636.db2.gz PNHIEJUVWKTXLW-BYICEURKSA-N 2 1 270.420 3.039 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCCC2)cc1 ZINC000399721018 397698640 /nfs/dbraw/zinc/69/86/40/397698640.db2.gz PNHIEJUVWKTXLW-BYICEURKSA-N 2 1 270.420 3.039 20 0 CGADMP C[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000650710743 397898938 /nfs/dbraw/zinc/89/89/38/397898938.db2.gz YJUUEPPJSXWESF-SUMWQHHRSA-N 2 1 292.854 3.301 20 0 CGADMP C[C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000650711566 397899342 /nfs/dbraw/zinc/89/93/42/397899342.db2.gz XOGOAGUFZHVFRI-APFCUJBGSA-N 2 1 276.399 3.288 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724601 397902589 /nfs/dbraw/zinc/90/25/89/397902589.db2.gz IZRVPTFMJCXXLY-YLFCFFPRSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724154 397902775 /nfs/dbraw/zinc/90/27/75/397902775.db2.gz ZDIIKQGOSVTTCH-ZKXLYKBJSA-N 2 1 294.483 3.174 20 0 CGADMP CCC(CC)[C@@H](CNc1nc(C)[nH+]c(C)c1C)[NH+](C)C ZINC000675548572 543347171 /nfs/dbraw/zinc/34/71/71/543347171.db2.gz TYFGFAKQZCILDS-OAHLLOKOSA-N 2 1 278.444 3.180 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238039 543440741 /nfs/dbraw/zinc/44/07/41/543440741.db2.gz VBFYZUNPSVOTBA-IRXDYDNUSA-N 2 1 286.463 3.489 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000677237165 543440797 /nfs/dbraw/zinc/44/07/97/543440797.db2.gz DPDUWLTZBJKGPE-CABCVRRESA-N 2 1 290.426 3.320 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000677817248 543467379 /nfs/dbraw/zinc/46/73/79/543467379.db2.gz JPSGVIFFKQABKG-CYBMUJFWSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000677817248 543467380 /nfs/dbraw/zinc/46/73/80/543467380.db2.gz JPSGVIFFKQABKG-CYBMUJFWSA-N 2 1 287.382 3.340 20 0 CGADMP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415088792 286018497 /nfs/dbraw/zinc/01/84/97/286018497.db2.gz MLWOPZVSDFETOJ-KCXAZCMYSA-N 2 1 298.858 3.379 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678079824 543482173 /nfs/dbraw/zinc/48/21/73/543482173.db2.gz XBNOAYIRSNMBNC-RDJZCZTQSA-N 2 1 274.408 3.013 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678079824 543482175 /nfs/dbraw/zinc/48/21/75/543482175.db2.gz XBNOAYIRSNMBNC-RDJZCZTQSA-N 2 1 274.408 3.013 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678079824 543482177 /nfs/dbraw/zinc/48/21/77/543482177.db2.gz XBNOAYIRSNMBNC-RDJZCZTQSA-N 2 1 274.408 3.013 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678217362 543495386 /nfs/dbraw/zinc/49/53/86/543495386.db2.gz SKIRBBWZKPXALL-MRXNPFEDSA-N 2 1 290.451 3.249 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000678239422 543499293 /nfs/dbraw/zinc/49/92/93/543499293.db2.gz CDYOQGDWPRZXGT-SFHVURJKSA-N 2 1 288.435 3.001 20 0 CGADMP CC[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678210546 543492813 /nfs/dbraw/zinc/49/28/13/543492813.db2.gz NQSHYMWNSQHIGB-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678283806 543511529 /nfs/dbraw/zinc/51/15/29/543511529.db2.gz RQFBHAMSOYACLP-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678283806 543511531 /nfs/dbraw/zinc/51/15/31/543511531.db2.gz RQFBHAMSOYACLP-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678283806 543511533 /nfs/dbraw/zinc/51/15/33/543511533.db2.gz RQFBHAMSOYACLP-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678283806 543511535 /nfs/dbraw/zinc/51/15/35/543511535.db2.gz RQFBHAMSOYACLP-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(C)n1 ZINC000678412447 543521337 /nfs/dbraw/zinc/52/13/37/543521337.db2.gz WVNGQXPQSUHWFG-MRXNPFEDSA-N 2 1 289.467 3.471 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000678581189 543537270 /nfs/dbraw/zinc/53/72/70/543537270.db2.gz NSZIPYVRJFWCBZ-OAHLLOKOSA-N 2 1 275.440 3.222 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000554357611 289274031 /nfs/dbraw/zinc/27/40/31/289274031.db2.gz FFLUJFITNCATLX-REWJHTLYSA-N 2 1 292.389 3.427 20 0 CGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000353555740 292247730 /nfs/dbraw/zinc/24/77/30/292247730.db2.gz DIDRWVNXPGEIMT-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C12CCCC2 ZINC000554992154 289322517 /nfs/dbraw/zinc/32/25/17/289322517.db2.gz XZMOOAGGWHQPOR-JYJNAYRXSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000554992154 289322518 /nfs/dbraw/zinc/32/25/18/289322518.db2.gz XZMOOAGGWHQPOR-JYJNAYRXSA-N 2 1 282.472 3.043 20 0 CGADMP COCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000449215372 292264003 /nfs/dbraw/zinc/26/40/03/292264003.db2.gz XXEOBCOBKGGCDX-ADKAHSJRSA-N 2 1 296.499 3.149 20 0 CGADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]CCC(C)(C)C)cc1 ZINC000414877445 286378755 /nfs/dbraw/zinc/37/87/55/286378755.db2.gz FXESEEWWVPXIOL-SJORKVTESA-N 2 1 290.451 3.167 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000494995962 287072437 /nfs/dbraw/zinc/07/24/37/287072437.db2.gz MXHXGQICCFWSIT-NMNMXBMNSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H](Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422920893 287073547 /nfs/dbraw/zinc/07/35/47/287073547.db2.gz NESYLDQTFSXPKX-HUUCEWRRSA-N 2 1 287.451 3.081 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC000081572489 287074511 /nfs/dbraw/zinc/07/45/11/287074511.db2.gz HEFLIBIWIHHWBP-KRWDZBQOSA-N 2 1 290.451 3.119 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000081572489 287074512 /nfs/dbraw/zinc/07/45/12/287074512.db2.gz HEFLIBIWIHHWBP-KRWDZBQOSA-N 2 1 290.451 3.119 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC000081579009 287074903 /nfs/dbraw/zinc/07/49/03/287074903.db2.gz LWEDAVHMZIDBEZ-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000081579009 287074904 /nfs/dbraw/zinc/07/49/04/287074904.db2.gz LWEDAVHMZIDBEZ-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000081579009 287074905 /nfs/dbraw/zinc/07/49/05/287074905.db2.gz LWEDAVHMZIDBEZ-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070091554 165055764 /nfs/dbraw/zinc/05/57/64/165055764.db2.gz GBZGKSGTLFLUSF-OLZOCXBDSA-N 2 1 264.438 3.191 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCSCC(C)C)[C@H](C)C1 ZINC000090881917 165245862 /nfs/dbraw/zinc/24/58/62/165245862.db2.gz DZYUUZDNYGKMNI-HUUCEWRRSA-N 2 1 272.502 3.086 20 0 CGADMP CC(C)CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090228236 287100579 /nfs/dbraw/zinc/10/05/79/287100579.db2.gz IOCYKHYDBWBUCA-RBSFLKMASA-N 2 1 254.462 3.377 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873170 165338080 /nfs/dbraw/zinc/33/80/80/165338080.db2.gz NPTKLWMKTHNJMB-LLVKDONJSA-N 2 1 286.366 3.266 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000094470711 165350763 /nfs/dbraw/zinc/35/07/63/165350763.db2.gz LGGGFHNSQCVBSB-YOEHRIQHSA-N 2 1 290.476 3.135 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000093693401 287118883 /nfs/dbraw/zinc/11/88/83/287118883.db2.gz JMCJBGDJFHOONA-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000093693401 287118884 /nfs/dbraw/zinc/11/88/84/287118884.db2.gz JMCJBGDJFHOONA-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000121203964 287194368 /nfs/dbraw/zinc/19/43/68/287194368.db2.gz QHWGXRKHENLXEB-XYJFISCASA-N 2 1 274.452 3.430 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000020129082 171016263 /nfs/dbraw/zinc/01/62/63/171016263.db2.gz BYLKJMPXQUYZOK-LBPRGKRZSA-N 2 1 268.351 3.101 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]c(C)cc3c2)[C@H](C)C1 ZINC000285544588 196322223 /nfs/dbraw/zinc/32/22/23/196322223.db2.gz DMJWDKNJPHUJSP-CXAGYDPISA-N 2 1 285.435 3.296 20 0 CGADMP C[N@@H+](CCCc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285603956 196341214 /nfs/dbraw/zinc/34/12/14/196341214.db2.gz VJTAUGOJARMYAV-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCCc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285603956 196341215 /nfs/dbraw/zinc/34/12/15/196341215.db2.gz VJTAUGOJARMYAV-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCCc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285603956 196341217 /nfs/dbraw/zinc/34/12/17/196341217.db2.gz VJTAUGOJARMYAV-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267048 173077425 /nfs/dbraw/zinc/07/74/25/173077425.db2.gz VQKWXFDKXDAIJP-GFCCVEGCSA-N 2 1 264.438 3.153 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000038097993 174112324 /nfs/dbraw/zinc/11/23/24/174112324.db2.gz SAYWTFIGMBYTFZ-GFCCVEGCSA-N 2 1 298.377 3.423 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000040500786 174297191 /nfs/dbraw/zinc/29/71/91/174297191.db2.gz IYEMBUVSIQVYQI-WMZOPIPTSA-N 2 1 286.463 3.390 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000040746601 174391991 /nfs/dbraw/zinc/39/19/91/174391991.db2.gz CFLCOQBUINOTIU-SJPCQFCGSA-N 2 1 258.409 3.018 20 0 CGADMP Fc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Cl ZINC000053157223 175543139 /nfs/dbraw/zinc/54/31/39/175543139.db2.gz XWQVPKHJVBPIIK-UHFFFAOYSA-N 2 1 270.779 3.055 20 0 CGADMP C[C@@H](C[NH2+]CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000071376815 176142335 /nfs/dbraw/zinc/14/23/35/176142335.db2.gz ATFZMWGGGWIEPK-HNNXBMFYSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@@H](C[NH2+]CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000071376815 176142336 /nfs/dbraw/zinc/14/23/36/176142336.db2.gz ATFZMWGGGWIEPK-HNNXBMFYSA-N 2 1 260.425 3.254 20 0 CGADMP CCSCC[C@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000129123532 287324846 /nfs/dbraw/zinc/32/48/46/287324846.db2.gz QKIJODMQRUHWRF-AWEZNQCLSA-N 2 1 283.485 3.435 20 0 CGADMP CCSCC[C@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000129123532 287324849 /nfs/dbraw/zinc/32/48/49/287324849.db2.gz QKIJODMQRUHWRF-AWEZNQCLSA-N 2 1 283.485 3.435 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000311145325 416532532 /nfs/dbraw/zinc/53/25/32/416532532.db2.gz URNFPDVWKMWBAN-CJNGLKHVSA-N 2 1 250.430 3.172 20 0 CGADMP C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)CC1CCOCC1 ZINC000313814418 416536544 /nfs/dbraw/zinc/53/65/44/416536544.db2.gz SEIWGASVYRLTGF-ROUUACIJSA-N 2 1 294.483 3.047 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000401896515 416546734 /nfs/dbraw/zinc/54/67/34/416546734.db2.gz KLFBNFMBQZUEPI-OZSLIKBDSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCc2ccccc2)[C@H]1CC[NH3+] ZINC000404412397 416554463 /nfs/dbraw/zinc/55/44/63/416554463.db2.gz YQQVUUPGUVIRHF-WBVHZDCISA-N 2 1 260.425 3.069 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCOCc2ccccc2)[C@@H]1CC[NH3+] ZINC000404411883 416555090 /nfs/dbraw/zinc/55/50/90/416555090.db2.gz YIZAFGAFBCOAOS-FUHWJXTLSA-N 2 1 290.451 3.043 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404443642 416555412 /nfs/dbraw/zinc/55/54/12/416555412.db2.gz WCCDLMLGJKLSKX-RHSMWYFYSA-N 2 1 276.424 3.035 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CC[C@@H]1[NH3+] ZINC000122401494 416504792 /nfs/dbraw/zinc/50/47/92/416504792.db2.gz DBRZLOWNGJDLAF-DYVFJYSZSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000129517105 287333967 /nfs/dbraw/zinc/33/39/67/287333967.db2.gz ZMTAQWDAJXOMGI-FRFSOERESA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000129517105 287333970 /nfs/dbraw/zinc/33/39/70/287333970.db2.gz ZMTAQWDAJXOMGI-FRFSOERESA-N 2 1 258.409 3.136 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682073949 543820405 /nfs/dbraw/zinc/82/04/05/543820405.db2.gz POZDIENGYDUADV-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP C(CC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682997109 543886350 /nfs/dbraw/zinc/88/63/50/543886350.db2.gz GISYWOOWVUCAPF-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000682916973 543877596 /nfs/dbraw/zinc/87/75/96/543877596.db2.gz UFKHUJBEGSBMGE-LBPRGKRZSA-N 2 1 281.469 3.224 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccs4)cc3)C[C@@H]2C1 ZINC000683790879 543942966 /nfs/dbraw/zinc/94/29/66/543942966.db2.gz STUOKAONBDZDMX-CALCHBBNSA-N 2 1 298.455 3.409 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccs4)cc3)C[C@@H]2C1 ZINC000683790879 543942968 /nfs/dbraw/zinc/94/29/68/543942968.db2.gz STUOKAONBDZDMX-CALCHBBNSA-N 2 1 298.455 3.409 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cccs4)cc3)C[C@@H]2C1 ZINC000683790879 543942970 /nfs/dbraw/zinc/94/29/70/543942970.db2.gz STUOKAONBDZDMX-CALCHBBNSA-N 2 1 298.455 3.409 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2cn1 ZINC000683831074 543946663 /nfs/dbraw/zinc/94/66/63/543946663.db2.gz HOZJNOABDILZQN-QGZVFWFLSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000683889044 543950451 /nfs/dbraw/zinc/95/04/51/543950451.db2.gz TYOXVEVLWITVAI-ZIAGYGMSSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000683889044 543950454 /nfs/dbraw/zinc/95/04/54/543950454.db2.gz TYOXVEVLWITVAI-ZIAGYGMSSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ccccc1C[N@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000684568151 544015013 /nfs/dbraw/zinc/01/50/13/544015013.db2.gz DXWICBHFHJCXSJ-UHFFFAOYSA-N 2 1 295.430 3.411 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)F)cc1 ZINC000685470072 544076573 /nfs/dbraw/zinc/07/65/73/544076573.db2.gz OWJXFOUXACAFFC-DOMZBBRYSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)F)cc1 ZINC000685470072 544076575 /nfs/dbraw/zinc/07/65/75/544076575.db2.gz OWJXFOUXACAFFC-DOMZBBRYSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000685470072 544076579 /nfs/dbraw/zinc/07/65/79/544076579.db2.gz OWJXFOUXACAFFC-DOMZBBRYSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000685470072 544076581 /nfs/dbraw/zinc/07/65/81/544076581.db2.gz OWJXFOUXACAFFC-DOMZBBRYSA-N 2 1 282.378 3.396 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)C(C)(C)C ZINC000685470815 544076760 /nfs/dbraw/zinc/07/67/60/544076760.db2.gz STJFYCKOQSUGIA-QLFBSQMISA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)C(C)(C)C ZINC000685470815 544076761 /nfs/dbraw/zinc/07/67/61/544076761.db2.gz STJFYCKOQSUGIA-QLFBSQMISA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C(C)(C)C ZINC000685470815 544076763 /nfs/dbraw/zinc/07/67/63/544076763.db2.gz STJFYCKOQSUGIA-QLFBSQMISA-N 2 1 252.446 3.085 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000684956750 544044690 /nfs/dbraw/zinc/04/46/90/544044690.db2.gz JAIOGCMEELELDL-INIZCTEOSA-N 2 1 284.407 3.034 20 0 CGADMP CC(C)(C[NH2+][C@H]1CCCc2cccnc21)C[NH+]1CCCC1 ZINC000684961233 544046033 /nfs/dbraw/zinc/04/60/33/544046033.db2.gz DQXXONLJEWUOAS-INIZCTEOSA-N 2 1 287.451 3.171 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)s1 ZINC000652221999 418937548 /nfs/dbraw/zinc/93/75/48/418937548.db2.gz CAZKSRHSNPZISP-GFCCVEGCSA-N 2 1 269.458 3.080 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)s1 ZINC000652221999 418937549 /nfs/dbraw/zinc/93/75/49/418937549.db2.gz CAZKSRHSNPZISP-GFCCVEGCSA-N 2 1 269.458 3.080 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000652356271 418956045 /nfs/dbraw/zinc/95/60/45/418956045.db2.gz ZEJZSPJGCYLMGG-NWDGAFQWSA-N 2 1 266.351 3.168 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCC2CCCC2)C1 ZINC000652362303 418958574 /nfs/dbraw/zinc/95/85/74/418958574.db2.gz DIMDTPFXSYPUSF-KURKYZTESA-N 2 1 294.483 3.318 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000659866711 419020608 /nfs/dbraw/zinc/02/06/08/419020608.db2.gz HSXYZLRIWOIWSQ-ZDUSSCGKSA-N 2 1 276.415 3.472 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000659929476 419035656 /nfs/dbraw/zinc/03/56/56/419035656.db2.gz ZLQYDAXXDMUHTO-HUUCEWRRSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653560949 419047435 /nfs/dbraw/zinc/04/74/35/419047435.db2.gz NBJYIRNVNRROBT-HNNXBMFYSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCC1)CCCO2 ZINC000665248180 419089844 /nfs/dbraw/zinc/08/98/44/419089844.db2.gz QZWQTZCNFPFAAJ-INIZCTEOSA-N 2 1 288.435 3.378 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000665252612 419093461 /nfs/dbraw/zinc/09/34/61/419093461.db2.gz UPTBDILKNYVUOU-FWEDZOCSSA-N 2 1 272.436 3.156 20 0 CGADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc21 ZINC000665266814 419097273 /nfs/dbraw/zinc/09/72/73/419097273.db2.gz KGFGBBBXFZXIEV-ZMYBRWDISA-N 2 1 299.462 3.128 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903719 419108282 /nfs/dbraw/zinc/10/82/82/419108282.db2.gz HRBZREVGNSVNPU-HNNXBMFYSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903719 419108283 /nfs/dbraw/zinc/10/82/83/419108283.db2.gz HRBZREVGNSVNPU-HNNXBMFYSA-N 2 1 291.439 3.005 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000665297393 419111002 /nfs/dbraw/zinc/11/10/02/419111002.db2.gz FETCFITYKIOEPQ-XWLWVQCSSA-N 2 1 272.845 3.091 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983486 419053061 /nfs/dbraw/zinc/05/30/61/419053061.db2.gz NOFGZDYQFIRYLX-RYQLBKOJSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983486 419053065 /nfs/dbraw/zinc/05/30/65/419053065.db2.gz NOFGZDYQFIRYLX-RYQLBKOJSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983486 419053069 /nfs/dbraw/zinc/05/30/69/419053069.db2.gz NOFGZDYQFIRYLX-RYQLBKOJSA-N 2 1 296.499 3.386 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccccc2)CCC1 ZINC000653572553 419053853 /nfs/dbraw/zinc/05/38/53/419053853.db2.gz LFZTXCKRZSWUHU-UHFFFAOYSA-N 2 1 269.392 3.022 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655688283 419065210 /nfs/dbraw/zinc/06/52/10/419065210.db2.gz UZTMHKFXOYSGEU-QAPCUYQASA-N 2 1 284.447 3.365 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCCc2c(F)cccc2F)CC1 ZINC000653642511 419065586 /nfs/dbraw/zinc/06/55/86/419065586.db2.gz HLSAXESUKXJNIT-CQSZACIVSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2c(F)cccc2F)CC1 ZINC000653642511 419065591 /nfs/dbraw/zinc/06/55/91/419065591.db2.gz HLSAXESUKXJNIT-CQSZACIVSA-N 2 1 296.405 3.314 20 0 CGADMP CCC1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655714951 419074859 /nfs/dbraw/zinc/07/48/59/419074859.db2.gz GMNQOIKWNMYUPU-HTWSVDAQSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CC1 ZINC000655941236 419129474 /nfs/dbraw/zinc/12/94/74/419129474.db2.gz OKCNYBPWXJCZOX-HOCLYGCPSA-N 2 1 264.457 3.277 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CC=CC1 ZINC000660417274 419139765 /nfs/dbraw/zinc/13/97/65/419139765.db2.gz VYNIZEGDRQFMJO-UHFFFAOYSA-N 2 1 261.413 3.124 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CC=CC1 ZINC000660417274 419139770 /nfs/dbraw/zinc/13/97/70/419139770.db2.gz VYNIZEGDRQFMJO-UHFFFAOYSA-N 2 1 261.413 3.124 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2CC2CCCC2)CC[NH2+]C1 ZINC000656194951 419149101 /nfs/dbraw/zinc/14/91/01/419149101.db2.gz VIACUEICYZXSCG-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3o1)C2 ZINC000660656577 419178147 /nfs/dbraw/zinc/17/81/47/419178147.db2.gz MUCUAOCYQHPFIS-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3o1)C2 ZINC000660656577 419178151 /nfs/dbraw/zinc/17/81/51/419178151.db2.gz MUCUAOCYQHPFIS-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3ccccc3o1)C2 ZINC000660656577 419178154 /nfs/dbraw/zinc/17/81/54/419178154.db2.gz MUCUAOCYQHPFIS-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3ccccc3o1)C2 ZINC000660656577 419178156 /nfs/dbraw/zinc/17/81/56/419178156.db2.gz MUCUAOCYQHPFIS-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1cc(C(F)(F)F)cc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000656605971 419185995 /nfs/dbraw/zinc/18/59/95/419185995.db2.gz IJLKZLKQYWERRB-GHMZBOCLSA-N 2 1 273.302 3.091 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657292384 419244214 /nfs/dbraw/zinc/24/42/14/419244214.db2.gz JEKXMRWXZUGNJZ-UHFFFAOYSA-N 2 1 271.408 3.050 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657319366 419249082 /nfs/dbraw/zinc/24/90/82/419249082.db2.gz WPBSEOYACYGVKW-UHFFFAOYSA-N 2 1 282.391 3.161 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CO1 ZINC000657384540 419266234 /nfs/dbraw/zinc/26/62/34/419266234.db2.gz UFWSQSXUCIGABL-KBAYOESNSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000666228278 419199901 /nfs/dbraw/zinc/19/99/01/419199901.db2.gz YENSOMNGXCDTEA-XJKSGUPXSA-N 2 1 294.389 3.284 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656787074 419219624 /nfs/dbraw/zinc/21/96/24/419219624.db2.gz ZWUBOYLLHQCQOI-GOSISDBHSA-N 2 1 272.436 3.207 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCCC1 ZINC000656788460 419220123 /nfs/dbraw/zinc/22/01/23/419220123.db2.gz PYJYVPYVPSYCJV-UHFFFAOYSA-N 2 1 290.304 3.206 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000656788784 419220404 /nfs/dbraw/zinc/22/04/04/419220404.db2.gz ZCEYPNNLLIGWNU-UHFFFAOYSA-N 2 1 272.314 3.067 20 0 CGADMP Cc1nccn1CCC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661212748 419241082 /nfs/dbraw/zinc/24/10/82/419241082.db2.gz IHPUNMJWGBUDPL-UHFFFAOYSA-N 2 1 297.446 3.418 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661212748 419241084 /nfs/dbraw/zinc/24/10/84/419241084.db2.gz IHPUNMJWGBUDPL-UHFFFAOYSA-N 2 1 297.446 3.418 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661212748 419241085 /nfs/dbraw/zinc/24/10/85/419241085.db2.gz IHPUNMJWGBUDPL-UHFFFAOYSA-N 2 1 297.446 3.418 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071578 228004712 /nfs/dbraw/zinc/00/47/12/228004712.db2.gz SURZNAWGKGEFMJ-UBDQQSCGSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071578 228004714 /nfs/dbraw/zinc/00/47/14/228004714.db2.gz SURZNAWGKGEFMJ-UBDQQSCGSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071578 228004716 /nfs/dbraw/zinc/00/47/16/228004716.db2.gz SURZNAWGKGEFMJ-UBDQQSCGSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071578 228004717 /nfs/dbraw/zinc/00/47/17/228004717.db2.gz SURZNAWGKGEFMJ-UBDQQSCGSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC(F)CC1 ZINC000657742823 419335774 /nfs/dbraw/zinc/33/57/74/419335774.db2.gz AYLZFEQMWOYGDZ-WVTZPBJPSA-N 2 1 268.420 3.120 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(C)cc1 ZINC000662306352 419388268 /nfs/dbraw/zinc/38/82/68/419388268.db2.gz YNRCZFVJTPXDRL-UHFFFAOYSA-N 2 1 260.425 3.207 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000662314863 419390009 /nfs/dbraw/zinc/39/00/09/419390009.db2.gz PYABJMBVBWHXEP-MSOLQXFVSA-N 2 1 294.483 3.047 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320687 419390849 /nfs/dbraw/zinc/39/08/49/419390849.db2.gz DJVJMEPUGXIYGB-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP CCOC1CCC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000657874037 419399421 /nfs/dbraw/zinc/39/94/21/419399421.db2.gz XWQIVUDIQGZVOX-GTPINHCMSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657887650 419407056 /nfs/dbraw/zinc/40/70/56/419407056.db2.gz IZUACIRYTIXBMF-PMPSAXMXSA-N 2 1 275.440 3.386 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCSCC2)CCCCC1 ZINC000657821115 419370278 /nfs/dbraw/zinc/37/02/78/419370278.db2.gz QIILDMYKASFFCS-AWEZNQCLSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662246397 419371754 /nfs/dbraw/zinc/37/17/54/419371754.db2.gz RQLNYLNMAPCCGZ-OLZOCXBDSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662244477 419372317 /nfs/dbraw/zinc/37/23/17/419372317.db2.gz HEBCUIPYKTTWSW-XIRDDKMYSA-N 2 1 272.436 3.166 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000662266905 419377470 /nfs/dbraw/zinc/37/74/70/419377470.db2.gz QPJCYTMPWGWTAP-GOSISDBHSA-N 2 1 272.436 3.170 20 0 CGADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000657837441 419381147 /nfs/dbraw/zinc/38/11/47/419381147.db2.gz FXNNUTNFCGZHJP-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662274580 419381715 /nfs/dbraw/zinc/38/17/15/419381715.db2.gz XEEUMKCUBZVFMI-AWEZNQCLSA-N 2 1 284.856 3.103 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CCC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000662274467 419382774 /nfs/dbraw/zinc/38/27/74/419382774.db2.gz IRGCFBFYCMUSMO-OQIJWPOYSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000662274467 419382778 /nfs/dbraw/zinc/38/27/78/419382778.db2.gz IRGCFBFYCMUSMO-OQIJWPOYSA-N 2 1 284.447 3.254 20 0 CGADMP Fc1ccc2c(c1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662277334 419382929 /nfs/dbraw/zinc/38/29/29/419382929.db2.gz PSLXHRLYAMTNRV-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CC(CF)(CF)C2)([NH+](C)C)C1 ZINC000657843805 419383354 /nfs/dbraw/zinc/38/33/54/419383354.db2.gz JJSVXXOIMBABGW-CZUORRHYSA-N 2 1 288.426 3.174 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657840827 419383913 /nfs/dbraw/zinc/38/39/13/419383913.db2.gz KUPSSDLYYIIZHH-VXGBXAGGSA-N 2 1 283.366 3.012 20 0 CGADMP C[C@H]1CCC[C@](C[NH2+]C2CC(CF)(CF)C2)([NH+](C)C)C1 ZINC000657843803 419384257 /nfs/dbraw/zinc/38/42/57/419384257.db2.gz JJSVXXOIMBABGW-BBRMVZONSA-N 2 1 288.426 3.174 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295593 419386171 /nfs/dbraw/zinc/38/61/71/419386171.db2.gz VPKHYKPPXRBLRC-AWEZNQCLSA-N 2 1 292.389 3.431 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000663500717 419637250 /nfs/dbraw/zinc/63/72/50/419637250.db2.gz UJJNQUJZWOTOCF-CQSZACIVSA-N 2 1 289.448 3.273 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1C[C@@H]1C ZINC000663466377 419616812 /nfs/dbraw/zinc/61/68/12/419616812.db2.gz RYKKIRQBCYCZCE-HJWJTTGWSA-N 2 1 264.457 3.133 20 0 CGADMP FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465203 419618003 /nfs/dbraw/zinc/61/80/03/419618003.db2.gz IQCIYYKLEUQKKO-IKGGRYGDSA-N 2 1 282.447 3.226 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467583 419621241 /nfs/dbraw/zinc/62/12/41/419621241.db2.gz GURDRTIXGFJTOB-LPHOPBHVSA-N 2 1 284.447 3.386 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000663470671 419626984 /nfs/dbraw/zinc/62/69/84/419626984.db2.gz WGMXPNVBUCNNHC-HIFRSBDPSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3ccccc23)[C@H](C)C1 ZINC000658215565 419668034 /nfs/dbraw/zinc/66/80/34/419668034.db2.gz UGQNGZYAVIMXGJ-QAPCUYQASA-N 2 1 299.462 3.041 20 0 CGADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228778 419684838 /nfs/dbraw/zinc/68/48/38/419684838.db2.gz MLCIWLSADJPASU-ABFRBSLYSA-N 2 1 262.441 3.172 20 0 CGADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228778 419684844 /nfs/dbraw/zinc/68/48/44/419684844.db2.gz MLCIWLSADJPASU-ABFRBSLYSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228743 419685397 /nfs/dbraw/zinc/68/53/97/419685397.db2.gz LTLSJROIIULTNT-GOEBONIOSA-N 2 1 276.424 3.207 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228743 419685401 /nfs/dbraw/zinc/68/54/01/419685401.db2.gz LTLSJROIIULTNT-GOEBONIOSA-N 2 1 276.424 3.207 20 0 CGADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228695 419685415 /nfs/dbraw/zinc/68/54/15/419685415.db2.gz KSEUARTZMWKSLF-NVXWUHKLSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228695 419685421 /nfs/dbraw/zinc/68/54/21/419685421.db2.gz KSEUARTZMWKSLF-NVXWUHKLSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C)[C@H](C)C1 ZINC000180194694 260096876 /nfs/dbraw/zinc/09/68/76/260096876.db2.gz CNIZEQDVQGCQMD-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP CCc1ccc(CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000525517808 260230630 /nfs/dbraw/zinc/23/06/30/260230630.db2.gz GKFACRJJVNJMJN-SFHVURJKSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccc(CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000525517808 260230632 /nfs/dbraw/zinc/23/06/32/260230632.db2.gz GKFACRJJVNJMJN-SFHVURJKSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccc(CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000525517808 260230633 /nfs/dbraw/zinc/23/06/33/260230633.db2.gz GKFACRJJVNJMJN-SFHVURJKSA-N 2 1 274.452 3.065 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000044535507 270035986 /nfs/dbraw/zinc/03/59/86/270035986.db2.gz YZAVXRGVPYVMJO-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000044535507 270035988 /nfs/dbraw/zinc/03/59/88/270035988.db2.gz YZAVXRGVPYVMJO-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP COCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103228982 270045658 /nfs/dbraw/zinc/04/56/58/270045658.db2.gz SKDIKXTXTFJRPU-GOSISDBHSA-N 2 1 296.499 3.391 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185512920 270063229 /nfs/dbraw/zinc/06/32/29/270063229.db2.gz VVVHSTCQQMXEEP-MOKVOYLWSA-N 2 1 292.389 3.239 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C1CCSCC1 ZINC000187201802 270068183 /nfs/dbraw/zinc/06/81/83/270068183.db2.gz ONYFDRABGNWORE-HOCLYGCPSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C1CCSCC1 ZINC000187201802 270068184 /nfs/dbraw/zinc/06/81/84/270068184.db2.gz ONYFDRABGNWORE-HOCLYGCPSA-N 2 1 284.513 3.372 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000527639227 270130557 /nfs/dbraw/zinc/13/05/57/270130557.db2.gz RLVYXZFXKKEYQM-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000527639227 270130558 /nfs/dbraw/zinc/13/05/58/270130558.db2.gz RLVYXZFXKKEYQM-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000527891210 270142235 /nfs/dbraw/zinc/14/22/35/270142235.db2.gz AJCFHFYYGRMAAM-AWEZNQCLSA-N 2 1 269.392 3.013 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527985979 270148443 /nfs/dbraw/zinc/14/84/43/270148443.db2.gz OFLCXHQTDNSUNS-FPCVCCKLSA-N 2 1 250.430 3.051 20 0 CGADMP COc1ccccc1[C@@H](C)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528006985 270150931 /nfs/dbraw/zinc/15/09/31/270150931.db2.gz AMRFVWWHFASEKW-ZBFHGGJFSA-N 2 1 288.435 3.363 20 0 CGADMP C/C(Cl)=C\C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528422237 270165126 /nfs/dbraw/zinc/16/51/26/270165126.db2.gz DCSLHWKVMDBPMQ-DUCLZDJCSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C\C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528422237 270165127 /nfs/dbraw/zinc/16/51/27/270165127.db2.gz DCSLHWKVMDBPMQ-DUCLZDJCSA-N 2 1 268.832 3.078 20 0 CGADMP CC1(C)CC(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000528385488 270163072 /nfs/dbraw/zinc/16/30/72/270163072.db2.gz ADHNVMCRWSGCME-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP C/C(Cl)=C\C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528422237 270165128 /nfs/dbraw/zinc/16/51/28/270165128.db2.gz DCSLHWKVMDBPMQ-DUCLZDJCSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C\C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528422237 270165129 /nfs/dbraw/zinc/16/51/29/270165129.db2.gz DCSLHWKVMDBPMQ-DUCLZDJCSA-N 2 1 268.832 3.078 20 0 CGADMP c1cc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2[nH]1 ZINC000529530956 270182975 /nfs/dbraw/zinc/18/29/75/270182975.db2.gz RYMSGEPDWJPBSI-QGZVFWFLSA-N 2 1 297.446 3.476 20 0 CGADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC)cc1 ZINC000530354842 270199379 /nfs/dbraw/zinc/19/93/79/270199379.db2.gz OAZBOSDBDOBQCS-QGZVFWFLSA-N 2 1 287.407 3.102 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C[C@H]1C ZINC000530460278 270200081 /nfs/dbraw/zinc/20/00/81/270200081.db2.gz GOWRWHKJKDAVGG-YCPHGPKFSA-N 2 1 263.429 3.013 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CCS2 ZINC000343471603 274137302 /nfs/dbraw/zinc/13/73/02/274137302.db2.gz UVXCFUCCVUCQAX-SWLSCSKDSA-N 2 1 294.464 3.162 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CCS2 ZINC000424370630 274137373 /nfs/dbraw/zinc/13/73/73/274137373.db2.gz DUIIUBDVWOHEKC-RBSFLKMASA-N 2 1 292.448 3.092 20 0 CGADMP CSC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131545642 274177719 /nfs/dbraw/zinc/17/77/19/274177719.db2.gz WDXLMADXBQZUBM-HNNXBMFYSA-N 2 1 292.492 3.035 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423452053 274239951 /nfs/dbraw/zinc/23/99/51/274239951.db2.gz VVUHMFHANVBRLD-VWYCJHECSA-N 2 1 252.427 3.013 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000453213566 274340029 /nfs/dbraw/zinc/34/00/29/274340029.db2.gz CKHPEJMNFAVNBS-KQTLUZQSSA-N 2 1 290.476 3.194 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000335600849 274377952 /nfs/dbraw/zinc/37/79/52/274377952.db2.gz RIWXKXFHPDTPGN-FZKQIMNGSA-N 2 1 278.399 3.344 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000335600851 274605450 /nfs/dbraw/zinc/60/54/50/274605450.db2.gz RIWXKXFHPDTPGN-SCLBCKFNSA-N 2 1 278.399 3.344 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CCCc3ccccc31)C2 ZINC000275502663 275072952 /nfs/dbraw/zinc/07/29/52/275072952.db2.gz JRBGBHYIGWHNGR-PBHICJAKSA-N 2 1 281.403 3.113 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000353122216 276008939 /nfs/dbraw/zinc/00/89/39/276008939.db2.gz FYLVMQZUIZECSF-WNRNVDISSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000353122216 276008940 /nfs/dbraw/zinc/00/89/40/276008940.db2.gz FYLVMQZUIZECSF-WNRNVDISSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000353122217 276008966 /nfs/dbraw/zinc/00/89/66/276008966.db2.gz FYLVMQZUIZECSF-XMTFNYHQSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000353122217 276008967 /nfs/dbraw/zinc/00/89/67/276008967.db2.gz FYLVMQZUIZECSF-XMTFNYHQSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000514926307 276012220 /nfs/dbraw/zinc/01/22/20/276012220.db2.gz BHXZNFIYFBMRJH-ARFHVFGLSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000514926307 276012221 /nfs/dbraw/zinc/01/22/21/276012221.db2.gz BHXZNFIYFBMRJH-ARFHVFGLSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423307509 276017644 /nfs/dbraw/zinc/01/76/44/276017644.db2.gz GUUVTNHAPQQRKE-CVEARBPZSA-N 2 1 260.425 3.158 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000297646342 276018498 /nfs/dbraw/zinc/01/84/98/276018498.db2.gz MZQZLZWYIRISHX-SFHVURJKSA-N 2 1 287.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000344818255 276109119 /nfs/dbraw/zinc/10/91/19/276109119.db2.gz LCNXFKOHSOIPOW-ZBFHGGJFSA-N 2 1 295.496 3.442 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000360253370 276151325 /nfs/dbraw/zinc/15/13/25/276151325.db2.gz SFDIQBSWURGIQD-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)[C@H](C)C1 ZINC000414180497 276229273 /nfs/dbraw/zinc/22/92/73/276229273.db2.gz BHMFNXNUDGJPTN-XBVQOTNRSA-N 2 1 264.457 3.133 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000474879065 276331183 /nfs/dbraw/zinc/33/11/83/276331183.db2.gz LYTYWFJWEUKRAP-FGTMMUONSA-N 2 1 296.499 3.149 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](CC)C1)[NH+]1CCCC1 ZINC000462679896 276626902 /nfs/dbraw/zinc/62/69/02/276626902.db2.gz LRSFKCPJKIHQFS-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+]1CCC([NH2+]CC2(c3c(F)cccc3F)CCC2)CC1 ZINC000414238502 276888053 /nfs/dbraw/zinc/88/80/53/276888053.db2.gz MINBKWGHNHZBDG-UHFFFAOYSA-N 2 1 294.389 3.070 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC2CCCCC2)C1 ZINC000459777145 277053061 /nfs/dbraw/zinc/05/30/61/277053061.db2.gz KDMKEOBORMMCQC-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2OC(C)(C)C1 ZINC000344116781 277061911 /nfs/dbraw/zinc/06/19/11/277061911.db2.gz NKTSKVYLMXDTBD-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2OC(C)(C)C1 ZINC000344116781 277061912 /nfs/dbraw/zinc/06/19/12/277061912.db2.gz NKTSKVYLMXDTBD-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344116781 277061913 /nfs/dbraw/zinc/06/19/13/277061913.db2.gz NKTSKVYLMXDTBD-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344116781 277061914 /nfs/dbraw/zinc/06/19/14/277061914.db2.gz NKTSKVYLMXDTBD-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000414176610 277073483 /nfs/dbraw/zinc/07/34/83/277073483.db2.gz JGCSMBSWFOFJGY-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423275507 277282497 /nfs/dbraw/zinc/28/24/97/277282497.db2.gz NEBYLBSXKNRCOR-SWLSCSKDSA-N 2 1 296.842 3.307 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000353627223 277394684 /nfs/dbraw/zinc/39/46/84/277394684.db2.gz ZSRZSPAADZZSEM-XHSDSOJGSA-N 2 1 270.436 3.225 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000353627223 277394685 /nfs/dbraw/zinc/39/46/85/277394685.db2.gz ZSRZSPAADZZSEM-XHSDSOJGSA-N 2 1 270.436 3.225 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422712817 277684239 /nfs/dbraw/zinc/68/42/39/277684239.db2.gz OMRDKCVIKUMFJH-ZSGPHXLJSA-N 2 1 288.435 3.316 20 0 CGADMP C[C@H](C[NH2+][C@H](C)C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000474473074 278210242 /nfs/dbraw/zinc/21/02/42/278210242.db2.gz JFOBEXZSGUVLSG-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@H](C)C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000474473074 278210244 /nfs/dbraw/zinc/21/02/44/278210244.db2.gz JFOBEXZSGUVLSG-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422900585 278217281 /nfs/dbraw/zinc/21/72/81/278217281.db2.gz JRXQXYSIYUKTRQ-LAVFITLUSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422921423 278217896 /nfs/dbraw/zinc/21/78/96/278217896.db2.gz PQLQBYNJHXZUPF-VAOFZXAKSA-N 2 1 289.206 3.142 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000397321359 288022904 /nfs/dbraw/zinc/02/29/04/288022904.db2.gz STGSIWSUUHNWRD-MXWKQRLJSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000397321359 288022907 /nfs/dbraw/zinc/02/29/07/288022907.db2.gz STGSIWSUUHNWRD-MXWKQRLJSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000397427469 288023780 /nfs/dbraw/zinc/02/37/80/288023780.db2.gz YGSNDVLQIDDYQW-XJFOESAGSA-N 2 1 274.399 3.117 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC1(C)C ZINC000397561278 288024386 /nfs/dbraw/zinc/02/43/86/288024386.db2.gz ARQIPDMHCQOHSJ-QPSCCSFWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217508293 278309557 /nfs/dbraw/zinc/30/95/57/278309557.db2.gz SLWZVHIYXKWBJA-NEPJUHHUSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217508293 278309558 /nfs/dbraw/zinc/30/95/58/278309558.db2.gz SLWZVHIYXKWBJA-NEPJUHHUSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150751028 278313039 /nfs/dbraw/zinc/31/30/39/278313039.db2.gz STFFCOBXEMUUEK-HUUCEWRRSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150751028 278313041 /nfs/dbraw/zinc/31/30/41/278313041.db2.gz STFFCOBXEMUUEK-HUUCEWRRSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCCC[C@H]1C ZINC000449146641 278343581 /nfs/dbraw/zinc/34/35/81/278343581.db2.gz CUZXYFVJLDBRCK-TVFCKZIOSA-N 2 1 296.499 3.028 20 0 CGADMP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000398036938 288038027 /nfs/dbraw/zinc/03/80/27/288038027.db2.gz QGUITKAZUXDMQN-KXBFYZLASA-N 2 1 295.430 3.134 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000296390739 278384831 /nfs/dbraw/zinc/38/48/31/278384831.db2.gz KAXRVENLUQXKJB-DAYGRLMNSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000296390739 278384832 /nfs/dbraw/zinc/38/48/32/278384832.db2.gz KAXRVENLUQXKJB-DAYGRLMNSA-N 2 1 272.436 3.285 20 0 CGADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1F ZINC000459382501 288086251 /nfs/dbraw/zinc/08/62/51/288086251.db2.gz FNNFMZGNDSPFPD-INIZCTEOSA-N 2 1 293.361 3.228 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1OC(F)F ZINC000423385507 288090141 /nfs/dbraw/zinc/09/01/41/288090141.db2.gz QVGNWZIDNQNCLO-OBJOEFQTSA-N 2 1 298.377 3.469 20 0 CGADMP C[C@@H]1SCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000178974344 279072390 /nfs/dbraw/zinc/07/23/90/279072390.db2.gz BSMCORQUGSZHNB-WMLDXEAASA-N 2 1 290.476 3.165 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000464780465 279125143 /nfs/dbraw/zinc/12/51/43/279125143.db2.gz SWSKAQZQOGXBES-FGTMMUONSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000464780465 279125144 /nfs/dbraw/zinc/12/51/44/279125144.db2.gz SWSKAQZQOGXBES-FGTMMUONSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414841171 279142303 /nfs/dbraw/zinc/14/23/03/279142303.db2.gz NBAJRVIEKOAKHS-CZUORRHYSA-N 2 1 266.404 3.110 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1nc2c(s1)CCCC2 ZINC000333287000 279533780 /nfs/dbraw/zinc/53/37/80/279533780.db2.gz NNVMLCQMUXGGKS-XQQFMLRXSA-N 2 1 293.480 3.190 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C1CCCCC1 ZINC000423272107 279647335 /nfs/dbraw/zinc/64/73/35/279647335.db2.gz YLOMWQXWLKYONJ-JYJNAYRXSA-N 2 1 250.430 3.062 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000344127079 288159911 /nfs/dbraw/zinc/15/99/11/288159911.db2.gz YSJZRYIDOWHNDQ-FJIDUMEYSA-N 2 1 296.499 3.292 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527325347 288166588 /nfs/dbraw/zinc/16/65/88/288166588.db2.gz XXEDOHMBGNMJHY-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000527325347 288166589 /nfs/dbraw/zinc/16/65/89/288166589.db2.gz XXEDOHMBGNMJHY-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000527325347 288166592 /nfs/dbraw/zinc/16/65/92/288166592.db2.gz XXEDOHMBGNMJHY-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527325350 288166704 /nfs/dbraw/zinc/16/67/04/288166704.db2.gz XXEDOHMBGNMJHY-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000527325350 288166706 /nfs/dbraw/zinc/16/67/06/288166706.db2.gz XXEDOHMBGNMJHY-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000527325350 288166708 /nfs/dbraw/zinc/16/67/08/288166708.db2.gz XXEDOHMBGNMJHY-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP COc1ccc(C(C)(C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1F ZINC000528676684 288215887 /nfs/dbraw/zinc/21/58/87/288215887.db2.gz VSYZBDFFQYKQSL-AWEZNQCLSA-N 2 1 294.414 3.143 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000262022068 280376730 /nfs/dbraw/zinc/37/67/30/280376730.db2.gz WHAFCPPNAQABMI-RYUDHWBXSA-N 2 1 286.341 3.183 20 0 CGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000423391379 281001631 /nfs/dbraw/zinc/00/16/31/281001631.db2.gz PGTPAWULJZZZHF-KBPBESRZSA-N 2 1 250.430 3.077 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420421718 281018582 /nfs/dbraw/zinc/01/85/82/281018582.db2.gz YSLBYGNRNDPHIY-BFQNTYOBSA-N 2 1 282.378 3.333 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420421718 281018586 /nfs/dbraw/zinc/01/85/86/281018586.db2.gz YSLBYGNRNDPHIY-BFQNTYOBSA-N 2 1 282.378 3.333 20 0 CGADMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000262456419 281142573 /nfs/dbraw/zinc/14/25/73/281142573.db2.gz IDNNBJNBDWFDCQ-BZSNNMDCSA-N 2 1 295.430 3.102 20 0 CGADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530407249 288305167 /nfs/dbraw/zinc/30/51/67/288305167.db2.gz IADFTNDTOVVJNM-SJCJKPOMSA-N 2 1 287.382 3.015 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407445 288305657 /nfs/dbraw/zinc/30/56/57/288305657.db2.gz YNGAIPIARPRAOK-NSHDSACASA-N 2 1 292.452 3.202 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000532192913 288354161 /nfs/dbraw/zinc/35/41/61/288354161.db2.gz FAPNRCFVKPCDPS-ZWKOTPCHSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000532442737 288361149 /nfs/dbraw/zinc/36/11/49/288361149.db2.gz IFUJRZAHBRPZIA-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H](CC)C1CCOCC1)[NH+](C)C ZINC000532458658 288362118 /nfs/dbraw/zinc/36/21/18/288362118.db2.gz IUFZSCWKTXJHSN-IAGOWNOFSA-N 2 1 284.488 3.148 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCCCC1 ZINC000510706103 282046661 /nfs/dbraw/zinc/04/66/61/282046661.db2.gz SBLCXRAJFNGDSN-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000549550363 289046294 /nfs/dbraw/zinc/04/62/94/289046294.db2.gz GZBCSFFYIAJYDP-MUMAZLPKSA-N 2 1 272.436 3.410 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000550883258 289088002 /nfs/dbraw/zinc/08/80/02/289088002.db2.gz XECXOCMKMDOFLR-BBRMVZONSA-N 2 1 288.460 3.374 20 0 CGADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000551145813 289100187 /nfs/dbraw/zinc/10/01/87/289100187.db2.gz XBWFIDAHWFVLDY-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000552033223 289151887 /nfs/dbraw/zinc/15/18/87/289151887.db2.gz RJKAFMXNJKUKKW-FPCVCCKLSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000552033223 289151889 /nfs/dbraw/zinc/15/18/89/289151889.db2.gz RJKAFMXNJKUKKW-FPCVCCKLSA-N 2 1 252.446 3.131 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000552049539 289155057 /nfs/dbraw/zinc/15/50/57/289155057.db2.gz YAZOBWCLBIPUHJ-OTWHNJEPSA-N 2 1 286.463 3.254 20 0 CGADMP CS[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(C)(C)C ZINC000552066891 289158206 /nfs/dbraw/zinc/15/82/06/289158206.db2.gz TVHNQVAWWZGAOB-GBJTYRQASA-N 2 1 284.513 3.227 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000552162632 289169658 /nfs/dbraw/zinc/16/96/58/289169658.db2.gz UGDBMFNHSCEUTD-HNNXBMFYSA-N 2 1 272.392 3.253 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552276021 289177345 /nfs/dbraw/zinc/17/73/45/289177345.db2.gz IEVNPIVZBVVFAZ-RZFLPCETSA-N 2 1 276.468 3.418 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000554362743 289275318 /nfs/dbraw/zinc/27/53/18/289275318.db2.gz ZAUZXOYUSHSXPB-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000554385497 289280299 /nfs/dbraw/zinc/28/02/99/289280299.db2.gz ALRKSSLAOFNRDG-AIANPOQGSA-N 2 1 264.457 3.418 20 0 CGADMP CCC1CC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000556586816 289399300 /nfs/dbraw/zinc/39/93/00/289399300.db2.gz WHCLAQVGZATGCU-WLYUNCDWSA-N 2 1 252.446 3.275 20 0 CGADMP CCC1CC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000556586816 289399301 /nfs/dbraw/zinc/39/93/01/289399301.db2.gz WHCLAQVGZATGCU-WLYUNCDWSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000511009665 289583305 /nfs/dbraw/zinc/58/33/05/289583305.db2.gz HXOALDFWMKHONM-HYVNUMGLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC1(C)C ZINC000342623623 290386272 /nfs/dbraw/zinc/38/62/72/290386272.db2.gz HNZOVKLRUBDFNM-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000130194731 293245012 /nfs/dbraw/zinc/24/50/12/293245012.db2.gz TYYKGRVVWLLSRN-IACUBPJLSA-N 2 1 279.453 3.037 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000130194731 293245013 /nfs/dbraw/zinc/24/50/13/293245013.db2.gz TYYKGRVVWLLSRN-IACUBPJLSA-N 2 1 279.453 3.037 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354611 294113449 /nfs/dbraw/zinc/11/34/49/294113449.db2.gz BTXURMGXTASDAT-IRXDYDNUSA-N 2 1 290.838 3.403 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354611 294113452 /nfs/dbraw/zinc/11/34/52/294113452.db2.gz BTXURMGXTASDAT-IRXDYDNUSA-N 2 1 290.838 3.403 20 0 CGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000423331649 295225674 /nfs/dbraw/zinc/22/56/74/295225674.db2.gz MRYZSOSYWDHKAJ-ZWKOTPCHSA-N 2 1 288.435 3.063 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000414678562 297251716 /nfs/dbraw/zinc/25/17/16/297251716.db2.gz KQCLNWSGWCVIDB-JKIFEVAISA-N 2 1 276.399 3.351 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000126310468 297283509 /nfs/dbraw/zinc/28/35/09/297283509.db2.gz SJNSKLSUPMPVCB-WBVHZDCISA-N 2 1 272.436 3.181 20 0 CGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CCCO2 ZINC000425944612 301210162 /nfs/dbraw/zinc/21/01/62/301210162.db2.gz NNPJRNDYCPJPIZ-YOEHRIQHSA-N 2 1 290.451 3.304 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346852721 302150847 /nfs/dbraw/zinc/15/08/47/302150847.db2.gz XGBZPWUQSCQDKO-RDJZCZTQSA-N 2 1 258.409 3.132 20 0 CGADMP c1csc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCCC2)c1 ZINC000232468989 304862695 /nfs/dbraw/zinc/86/26/95/304862695.db2.gz YFDUSVUUCPDULA-DZGCQCFKSA-N 2 1 264.438 3.321 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000582145426 328301472 /nfs/dbraw/zinc/30/14/72/328301472.db2.gz HFODHEGKPZZRLD-DLBZAZTESA-N 2 1 297.531 3.064 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401760267 321969433 /nfs/dbraw/zinc/96/94/33/321969433.db2.gz UQWGCWIDKCAGLC-GJZGRUSLSA-N 2 1 263.429 3.157 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000563324750 321990326 /nfs/dbraw/zinc/99/03/26/321990326.db2.gz YXRDEXXVNXRPTD-AEFFLSMTSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000564097928 322020765 /nfs/dbraw/zinc/02/07/65/322020765.db2.gz FSBFDBXJNTZKHH-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000564097928 322020767 /nfs/dbraw/zinc/02/07/67/322020767.db2.gz FSBFDBXJNTZKHH-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000564097928 322020769 /nfs/dbraw/zinc/02/07/69/322020769.db2.gz FSBFDBXJNTZKHH-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc2c1ccnc2N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000564893278 322048280 /nfs/dbraw/zinc/04/82/80/322048280.db2.gz KTPLDMVTTSOQBY-UONOGXRCSA-N 2 1 269.392 3.438 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N(C)CC[C@@H]([NH3+])C(C)C ZINC000564976942 322052240 /nfs/dbraw/zinc/05/22/40/322052240.db2.gz CNKMKPHNDCJIQU-MRXNPFEDSA-N 2 1 271.408 3.353 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000565394413 322076038 /nfs/dbraw/zinc/07/60/38/322076038.db2.gz IAWUZHULCKGMOF-OAHLLOKOSA-N 2 1 274.452 3.111 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000565394413 322076040 /nfs/dbraw/zinc/07/60/40/322076040.db2.gz IAWUZHULCKGMOF-OAHLLOKOSA-N 2 1 274.452 3.111 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[NH2+]1 ZINC000565821616 322092841 /nfs/dbraw/zinc/09/28/41/322092841.db2.gz PROUAQMILRHGDD-JSGCOSHPSA-N 2 1 293.480 3.421 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000566088507 322103554 /nfs/dbraw/zinc/10/35/54/322103554.db2.gz WVUQSOLVGPGOHS-JTQLQIEISA-N 2 1 260.834 3.440 20 0 CGADMP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000566415931 322121072 /nfs/dbraw/zinc/12/10/72/322121072.db2.gz GSPGFLKMSICUGC-ROUUACIJSA-N 2 1 292.467 3.066 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000566529517 322128603 /nfs/dbraw/zinc/12/86/03/322128603.db2.gz MAKLEFZMWGMWKF-LJQANCHMSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000567177052 322153556 /nfs/dbraw/zinc/15/35/56/322153556.db2.gz YDBXGECEDSMWSY-MRXNPFEDSA-N 2 1 286.423 3.043 20 0 CGADMP CC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000567201117 322154431 /nfs/dbraw/zinc/15/44/31/322154431.db2.gz KUSDBOPSQSAKDT-LZLYRXPVSA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000567201117 322154432 /nfs/dbraw/zinc/15/44/32/322154432.db2.gz KUSDBOPSQSAKDT-LZLYRXPVSA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000567201117 322154434 /nfs/dbraw/zinc/15/44/34/322154434.db2.gz KUSDBOPSQSAKDT-LZLYRXPVSA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000567201117 322154435 /nfs/dbraw/zinc/15/44/35/322154435.db2.gz KUSDBOPSQSAKDT-LZLYRXPVSA-N 2 1 274.452 3.452 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCC(F)(F)F)C1 ZINC000567429734 322163089 /nfs/dbraw/zinc/16/30/89/322163089.db2.gz ZTNCJDWPIZPTRQ-VXGBXAGGSA-N 2 1 266.351 3.037 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000568239514 322199825 /nfs/dbraw/zinc/19/98/25/322199825.db2.gz NZONHKKDWJSGPS-UHFFFAOYSA-N 2 1 271.408 3.132 20 0 CGADMP C[NH+]1CCC(CCO)([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000568651260 322217545 /nfs/dbraw/zinc/21/75/45/322217545.db2.gz QRUVXFQUNINKBL-UHFFFAOYSA-N 2 1 296.499 3.028 20 0 CGADMP CC1CCC(O)(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000569686502 322254020 /nfs/dbraw/zinc/25/40/20/322254020.db2.gz MOAZZXPNKVMWRD-LXPRWKDFSA-N 2 1 296.499 3.029 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000569916466 322260246 /nfs/dbraw/zinc/26/02/46/322260246.db2.gz KGRVSRYJTUEPMK-YJBOKZPZSA-N 2 1 274.452 3.254 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000569916466 322260247 /nfs/dbraw/zinc/26/02/47/322260247.db2.gz KGRVSRYJTUEPMK-YJBOKZPZSA-N 2 1 274.452 3.254 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](CC)c1ccccc1Br ZINC000571908199 322311470 /nfs/dbraw/zinc/31/14/70/322311470.db2.gz ODWYUMJWBPNXAD-CQSZACIVSA-N 2 1 299.256 3.489 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000571413820 322298046 /nfs/dbraw/zinc/29/80/46/322298046.db2.gz OGRMATLZBKAPLM-WFASDCNBSA-N 2 1 293.480 3.278 20 0 CGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000571533552 322301416 /nfs/dbraw/zinc/30/14/16/322301416.db2.gz UVISIWBHPOEFGT-UHFFFAOYSA-N 2 1 271.408 3.263 20 0 CGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000571533552 322301417 /nfs/dbraw/zinc/30/14/17/322301417.db2.gz UVISIWBHPOEFGT-UHFFFAOYSA-N 2 1 271.408 3.263 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCCC2CCCCC2)CCCO1 ZINC000571807372 322308225 /nfs/dbraw/zinc/30/82/25/322308225.db2.gz YRZNYIYJXNVVNX-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571882565 322310302 /nfs/dbraw/zinc/31/03/02/322310302.db2.gz ILGZOYOZFABHFX-DLBZAZTESA-N 2 1 276.399 3.352 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCCC3)O2)C[C@H]1C ZINC000572062920 322318322 /nfs/dbraw/zinc/31/83/22/322318322.db2.gz ZOQMPXKCUVVATJ-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC3(CCCC3)O2)C[C@H]1C ZINC000572062920 322318323 /nfs/dbraw/zinc/31/83/23/322318323.db2.gz ZOQMPXKCUVVATJ-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC3(CCCC3)O2)C[C@H]1C ZINC000572062920 322318325 /nfs/dbraw/zinc/31/83/25/322318325.db2.gz ZOQMPXKCUVVATJ-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccsc2Cl)C1 ZINC000572166491 322323083 /nfs/dbraw/zinc/32/30/83/322323083.db2.gz DFZQQOOUUCALIQ-YPMHNXCESA-N 2 1 284.856 3.318 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572721760 322351210 /nfs/dbraw/zinc/35/12/10/322351210.db2.gz DQQDVOJJDNCSMT-GOSISDBHSA-N 2 1 270.420 3.140 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000572832937 322356857 /nfs/dbraw/zinc/35/68/57/322356857.db2.gz OMBGHKXKLFGDQX-PBHICJAKSA-N 2 1 276.424 3.044 20 0 CGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000573227107 322377104 /nfs/dbraw/zinc/37/71/04/322377104.db2.gz FZPQWMHNXRJKBS-KRWDZBQOSA-N 2 1 297.531 3.209 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000394029955 329095282 /nfs/dbraw/zinc/09/52/82/329095282.db2.gz DZZGTISRCRNIPB-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1[nH+]c2ccccc2c(NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000582749661 329140257 /nfs/dbraw/zinc/14/02/57/329140257.db2.gz YRCGQFSSEVGHPL-OAHLLOKOSA-N 2 1 295.430 3.170 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccn2)c1 ZINC000576530863 335216158 /nfs/dbraw/zinc/21/61/58/335216158.db2.gz ZWOIBHDHTFNWOD-LNLFQRSKSA-N 2 1 295.430 3.339 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccnc3ccccc23)C1 ZINC000576670043 335233038 /nfs/dbraw/zinc/23/30/38/335233038.db2.gz MOGBKLYOOLPRLX-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000576755025 335243630 /nfs/dbraw/zinc/24/36/30/335243630.db2.gz BKFMIEYZBYDQMB-HOTGVXAUSA-N 2 1 295.430 3.369 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)oc2cc1C ZINC000581198620 336023356 /nfs/dbraw/zinc/02/33/56/336023356.db2.gz JOXOWVUEVMGIJU-DZGCQCFKSA-N 2 1 272.392 3.361 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000581337451 336052163 /nfs/dbraw/zinc/05/21/63/336052163.db2.gz LFMIPGGXCFSSSM-QZTJIDSGSA-N 2 1 274.452 3.380 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000382131511 336082560 /nfs/dbraw/zinc/08/25/60/336082560.db2.gz OUAZANULZJLQIA-KFWWJZLASA-N 2 1 264.438 3.416 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581489276 336088354 /nfs/dbraw/zinc/08/83/54/336088354.db2.gz SSJJTVFYNPNTHR-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000385429916 336146224 /nfs/dbraw/zinc/14/62/24/336146224.db2.gz LWUKVXKGOFWEER-HOCLYGCPSA-N 2 1 252.446 3.133 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000581951530 336178314 /nfs/dbraw/zinc/17/83/14/336178314.db2.gz FFVBJNGAWYUAQH-ROUUACIJSA-N 2 1 283.419 3.279 20 0 CGADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H](C)C[NH3+] ZINC000423400221 533730942 /nfs/dbraw/zinc/73/09/42/533730942.db2.gz QBPQQPZUEMOGLF-OLZOCXBDSA-N 2 1 273.424 3.161 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000423352630 533865699 /nfs/dbraw/zinc/86/56/99/533865699.db2.gz ABAAOGDHGFYOJW-GXTWGEPZSA-N 2 1 258.365 3.226 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180164 533897837 /nfs/dbraw/zinc/89/78/37/533897837.db2.gz LIYCBDKGFNGZGZ-IDTSFGKNSA-N 2 1 296.817 3.265 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180164 533897846 /nfs/dbraw/zinc/89/78/46/533897846.db2.gz LIYCBDKGFNGZGZ-IDTSFGKNSA-N 2 1 296.817 3.265 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192934549 534256465 /nfs/dbraw/zinc/25/64/65/534256465.db2.gz QYKAGKKTNCOWIA-NJAFHUGGSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000052456924 519727752 /nfs/dbraw/zinc/72/77/52/519727752.db2.gz GITWSXCELYGMSX-UHFFFAOYSA-N 2 1 272.392 3.410 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184326989 520578391 /nfs/dbraw/zinc/57/83/91/520578391.db2.gz WOHBEMFLRHBGLJ-OAHLLOKOSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1sc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)nc1C(C)C ZINC000422702654 534607387 /nfs/dbraw/zinc/60/73/87/534607387.db2.gz FPFIAWLCFYIOPC-DGCLKSJQSA-N 2 1 281.469 3.053 20 0 CGADMP Cc1cccc(C)c1OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177060509 534681453 /nfs/dbraw/zinc/68/14/53/534681453.db2.gz JVWDNMUYLKFQHM-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177060509 534681459 /nfs/dbraw/zinc/68/14/59/534681459.db2.gz JVWDNMUYLKFQHM-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177060509 534681461 /nfs/dbraw/zinc/68/14/61/534681461.db2.gz JVWDNMUYLKFQHM-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177060509 534681463 /nfs/dbraw/zinc/68/14/63/534681463.db2.gz JVWDNMUYLKFQHM-IAGOWNOFSA-N 2 1 290.451 3.097 20 0 CGADMP C[N@H+](Cc1ccc(C(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000183950378 523216451 /nfs/dbraw/zinc/21/64/51/523216451.db2.gz TUZCLMICOWOWHP-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP C[NH+](Cc1ccc(C(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000183950378 523216463 /nfs/dbraw/zinc/21/64/63/523216463.db2.gz TUZCLMICOWOWHP-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP C[NH+](Cc1ccc(C(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000183950378 523216472 /nfs/dbraw/zinc/21/64/72/523216472.db2.gz TUZCLMICOWOWHP-AWEZNQCLSA-N 2 1 282.378 3.398 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1F ZINC000449323715 534712127 /nfs/dbraw/zinc/71/21/27/534712127.db2.gz AUCDMSSELUNXBA-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000037643693 524024978 /nfs/dbraw/zinc/02/49/78/524024978.db2.gz ZDWVWMCGGBVJDX-ZBFHGGJFSA-N 2 1 260.425 3.241 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)oc21 ZINC000049553736 524260300 /nfs/dbraw/zinc/26/03/00/524260300.db2.gz ZCRNVACBBGWXQZ-QWHCGFSZSA-N 2 1 290.407 3.432 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000049551955 524473909 /nfs/dbraw/zinc/47/39/09/524473909.db2.gz DNTIOXJBZRDLFQ-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157424140 525140388 /nfs/dbraw/zinc/14/03/88/525140388.db2.gz WLJBJRQIOKRZAG-SFHVURJKSA-N 2 1 272.436 3.445 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc2ccccc2o1 ZINC000049553465 525597007 /nfs/dbraw/zinc/59/70/07/525597007.db2.gz LORALXNFWPYGIS-QWHCGFSZSA-N 2 1 260.381 3.424 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356666 534877976 /nfs/dbraw/zinc/87/79/76/534877976.db2.gz HCUKHTRZAAQYCO-DGCLKSJQSA-N 2 1 281.469 3.368 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414290633 526661439 /nfs/dbraw/zinc/66/14/39/526661439.db2.gz AFJVSVUAIQXDKS-JONQDZQNSA-N 2 1 264.457 3.418 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164206530 527194520 /nfs/dbraw/zinc/19/45/20/527194520.db2.gz LBEMISQOIUXVOQ-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000161524624 527409184 /nfs/dbraw/zinc/40/91/84/527409184.db2.gz OLXLWNJZGXCUDA-UHFFFAOYSA-N 2 1 291.439 3.005 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423531479 527418305 /nfs/dbraw/zinc/41/83/05/527418305.db2.gz QLPRPUIIYLWJPK-BPQIPLTHSA-N 2 1 272.436 3.467 20 0 CGADMP C(CC1CCOCC1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000368650720 527477361 /nfs/dbraw/zinc/47/73/61/527477361.db2.gz RERUQGVOIQWAGA-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)CC1CCOCC1 ZINC000369204504 527478811 /nfs/dbraw/zinc/47/88/11/527478811.db2.gz OSCVVCDDZSJSEJ-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423282934 527783223 /nfs/dbraw/zinc/78/32/23/527783223.db2.gz VLUPQXYTRWSZNI-KBXCAEBGSA-N 2 1 290.451 3.499 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCCC2)[C@H](C)C1 ZINC000174775224 527833053 /nfs/dbraw/zinc/83/30/53/527833053.db2.gz QNRNPGJJXSNXAK-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CCCC2)[C@H](C)C1 ZINC000174775224 527833056 /nfs/dbraw/zinc/83/30/56/527833056.db2.gz QNRNPGJJXSNXAK-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CCCC2)[C@H](C)C1 ZINC000174775224 527833058 /nfs/dbraw/zinc/83/30/58/527833058.db2.gz QNRNPGJJXSNXAK-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000367127855 527849007 /nfs/dbraw/zinc/84/90/07/527849007.db2.gz VSTSYQGHGCKNLO-ZACQAIPSSA-N 2 1 264.457 3.418 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000436469064 528062521 /nfs/dbraw/zinc/06/25/21/528062521.db2.gz UYCBGGSGCLPWQM-QGLXBCBXSA-N 2 1 284.447 3.323 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000436469064 528062527 /nfs/dbraw/zinc/06/25/27/528062527.db2.gz UYCBGGSGCLPWQM-QGLXBCBXSA-N 2 1 284.447 3.323 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423265345 528161217 /nfs/dbraw/zinc/16/12/17/528161217.db2.gz CVOZRFUJOCJDBE-RHSMWYFYSA-N 2 1 278.440 3.355 20 0 CGADMP CC(C)CSCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365406595 528211247 /nfs/dbraw/zinc/21/12/47/528211247.db2.gz WJFPSQKXNSDNKJ-OAHLLOKOSA-N 2 1 272.502 3.182 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000449090023 528261814 /nfs/dbraw/zinc/26/18/14/528261814.db2.gz FYWJHRXIXZQIRS-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423270422 528309817 /nfs/dbraw/zinc/30/98/17/528309817.db2.gz WQEPKWJBKPZNGI-DOMZBBRYSA-N 2 1 284.394 3.249 20 0 CGADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423367433 528329094 /nfs/dbraw/zinc/32/90/94/528329094.db2.gz MKQQCPREYAXFLF-RYUDHWBXSA-N 2 1 252.427 3.185 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423229259 528333399 /nfs/dbraw/zinc/33/33/99/528333399.db2.gz ANCVEEOABNQBJF-DZGCQCFKSA-N 2 1 266.816 3.175 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccncc2F)CC1 ZINC000449011215 528338011 /nfs/dbraw/zinc/33/80/11/528338011.db2.gz PJXMEZJSYQKGBA-UHFFFAOYSA-N 2 1 293.430 3.165 20 0 CGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423276114 528473928 /nfs/dbraw/zinc/47/39/28/528473928.db2.gz OAIJGENCGPPPPN-NWDGAFQWSA-N 2 1 284.831 3.245 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423312767 528514235 /nfs/dbraw/zinc/51/42/35/528514235.db2.gz STCGGQTZQRNMDG-CHWSQXEVSA-N 2 1 268.832 3.421 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423257865 528520099 /nfs/dbraw/zinc/52/00/99/528520099.db2.gz AJWIGGULMJJLPJ-SIXLDLHFSA-N 2 1 260.425 3.142 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000420319455 528587297 /nfs/dbraw/zinc/58/72/97/528587297.db2.gz POGXARFGXQRUSZ-HUUCEWRRSA-N 2 1 276.424 3.165 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CC([NH3+])(CC)CC)cc1 ZINC000423290398 528605691 /nfs/dbraw/zinc/60/56/91/528605691.db2.gz ZYWTWEMESRLFTO-ZDUSSCGKSA-N 2 1 264.413 3.253 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1OC ZINC000423458199 528688432 /nfs/dbraw/zinc/68/84/32/528688432.db2.gz GPZVQQRBMASKMN-HIFRSBDPSA-N 2 1 294.439 3.262 20 0 CGADMP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507203 528764442 /nfs/dbraw/zinc/76/44/42/528764442.db2.gz JJVOYMWQYSBTSA-MRLCAUJQSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)[N@@H+](C)CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000359639057 528816238 /nfs/dbraw/zinc/81/62/38/528816238.db2.gz SKSSWESZQWXAHQ-UHFFFAOYSA-N 2 1 295.515 3.103 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000359646062 528819213 /nfs/dbraw/zinc/81/92/13/528819213.db2.gz TXLTUFATTNRLCA-YOEHRIQHSA-N 2 1 260.425 3.240 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423287004 528949438 /nfs/dbraw/zinc/94/94/38/528949438.db2.gz JVBGITHEYZQUST-NSHDSACASA-N 2 1 286.366 3.456 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423290326 528954503 /nfs/dbraw/zinc/95/45/03/528954503.db2.gz ZRSSYDXCUCDQEE-AWEZNQCLSA-N 2 1 266.816 3.434 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000423294477 528956769 /nfs/dbraw/zinc/95/67/69/528956769.db2.gz CDDUKUVOVRLWFK-GDBMZVCRSA-N 2 1 286.423 3.040 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)C(C)(C)C ZINC000423475387 529011773 /nfs/dbraw/zinc/01/17/73/529011773.db2.gz KGNRGNPVGOXTHT-NWDGAFQWSA-N 2 1 262.388 3.036 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000449109323 529050993 /nfs/dbraw/zinc/05/09/93/529050993.db2.gz XXRCZXFKSWFYTD-PCKAHOCUSA-N 2 1 284.513 3.230 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000423276844 529178871 /nfs/dbraw/zinc/17/88/71/529178871.db2.gz OYDUDQRACVGBIO-UONOGXRCSA-N 2 1 299.256 3.473 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423314417 529247483 /nfs/dbraw/zinc/24/74/83/529247483.db2.gz HCMZGORPXSZWRX-NHYWBVRUSA-N 2 1 264.438 3.187 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358510464 529255364 /nfs/dbraw/zinc/25/53/64/529255364.db2.gz RQSKSMMKRMOPHH-INIZCTEOSA-N 2 1 276.399 3.352 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000459734409 536385477 /nfs/dbraw/zinc/38/54/77/536385477.db2.gz HCCTUGRVPDRMAG-ILXRZTDVSA-N 2 1 284.513 3.228 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411192 536390366 /nfs/dbraw/zinc/39/03/66/536390366.db2.gz DGGAVEFIFMKWBP-ROUUACIJSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411192 536390367 /nfs/dbraw/zinc/39/03/67/536390367.db2.gz DGGAVEFIFMKWBP-ROUUACIJSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411192 536390370 /nfs/dbraw/zinc/39/03/70/536390370.db2.gz DGGAVEFIFMKWBP-ROUUACIJSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@H]2c2ccncc2)CC1 ZINC000891440113 618208416 /nfs/dbraw/zinc/20/84/16/618208416.db2.gz IBWKDTGKNQPXFJ-SFHVURJKSA-N 2 1 287.451 3.341 20 0 CGADMP CSCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000891933944 618393672 /nfs/dbraw/zinc/39/36/72/618393672.db2.gz PGMRYSDIRNKKOP-UHFFFAOYSA-N 2 1 292.492 3.323 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000892059533 618512048 /nfs/dbraw/zinc/51/20/48/618512048.db2.gz ACORKNZRKYYTSV-MAUKXSAKSA-N 2 1 272.436 3.206 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CCCOC)CCC2)[C@@H](C)C1 ZINC000892106393 618534358 /nfs/dbraw/zinc/53/43/58/618534358.db2.gz UVQFRLDXXIPHNE-IRXDYDNUSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CCCOC)CCC2)[C@@H](C)C1 ZINC000892106393 618534366 /nfs/dbraw/zinc/53/43/66/618534366.db2.gz UVQFRLDXXIPHNE-IRXDYDNUSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CCCOC)CCC2)[C@@H](C)C1 ZINC000892106393 618534374 /nfs/dbraw/zinc/53/43/74/618534374.db2.gz UVQFRLDXXIPHNE-IRXDYDNUSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892122197 618543610 /nfs/dbraw/zinc/54/36/10/618543610.db2.gz SSDJSWKQYQTPLI-YJBOKZPZSA-N 2 1 272.436 3.206 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(CC(C)C)nc2)C1 ZINC000892146800 618558446 /nfs/dbraw/zinc/55/84/46/618558446.db2.gz YRJQHWKDEDNFBG-KRWDZBQOSA-N 2 1 289.467 3.054 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224198486 618665665 /nfs/dbraw/zinc/66/56/65/618665665.db2.gz RPAQXFFWTNBLDG-FZMZJTMJSA-N 2 1 297.240 3.181 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224198486 618665668 /nfs/dbraw/zinc/66/56/68/618665668.db2.gz RPAQXFFWTNBLDG-FZMZJTMJSA-N 2 1 297.240 3.181 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892431908 618777408 /nfs/dbraw/zinc/77/74/08/618777408.db2.gz FTUHPJBBJSADLZ-UHFFFAOYSA-N 2 1 294.389 3.285 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154769357 618830713 /nfs/dbraw/zinc/83/07/13/618830713.db2.gz PUCYHKRCLKWLAI-UHFFFAOYSA-N 2 1 290.451 3.038 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892587935 618868457 /nfs/dbraw/zinc/86/84/57/618868457.db2.gz FBYJKWXOJHMURS-OQSMONGASA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@H]1C ZINC000783226056 618898824 /nfs/dbraw/zinc/89/88/24/618898824.db2.gz ZHOQMYBKNIAQMF-RHSMWYFYSA-N 2 1 260.425 3.415 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000925539312 619037650 /nfs/dbraw/zinc/03/76/50/619037650.db2.gz BRNPXMVNBWBDFA-RVMXOQNASA-N 2 1 278.362 3.085 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@@H]2C)c2ccccc2O1 ZINC000925680758 619129056 /nfs/dbraw/zinc/12/90/56/619129056.db2.gz TXWJCKWFIWRKTD-BSWAFRJZSA-N 2 1 286.419 3.017 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000925708991 619156583 /nfs/dbraw/zinc/15/65/83/619156583.db2.gz MVKRVMFEUVVMCU-DWBZUHSKSA-N 2 1 258.409 3.101 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000925714189 619159557 /nfs/dbraw/zinc/15/95/57/619159557.db2.gz WKBBEKCNKQRPHA-UTRMSSBJSA-N 2 1 280.415 3.468 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000925714186 619159664 /nfs/dbraw/zinc/15/96/64/619159664.db2.gz WKBBEKCNKQRPHA-AXUOBQJMSA-N 2 1 280.415 3.468 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000313459209 619173227 /nfs/dbraw/zinc/17/32/27/619173227.db2.gz UROOZMFLRKEXIV-OAHLLOKOSA-N 2 1 283.419 3.055 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925779202 619241615 /nfs/dbraw/zinc/24/16/15/619241615.db2.gz MFTCOKRRXYXDGW-SWLSCSKDSA-N 2 1 282.378 3.144 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCC(C)(F)F ZINC000931765411 619250968 /nfs/dbraw/zinc/25/09/68/619250968.db2.gz XCTAGMXEAVSMGK-CYBMUJFWSA-N 2 1 283.366 3.028 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000317877568 619257189 /nfs/dbraw/zinc/25/71/89/619257189.db2.gz STYSMIDVBRKJMW-LPHOPBHVSA-N 2 1 295.430 3.199 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910502 619270193 /nfs/dbraw/zinc/27/01/93/619270193.db2.gz DKORQYUUIYHKBU-LBPRGKRZSA-N 2 1 296.352 3.085 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910502 619270196 /nfs/dbraw/zinc/27/01/96/619270196.db2.gz DKORQYUUIYHKBU-LBPRGKRZSA-N 2 1 296.352 3.085 20 0 CGADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261558237 619288668 /nfs/dbraw/zinc/28/86/68/619288668.db2.gz DBHASMOIZZQGDN-ZHAHWJHGSA-N 2 1 258.287 3.062 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000261559547 619289143 /nfs/dbraw/zinc/28/91/43/619289143.db2.gz DRSOZXUJUWDONS-UTLUCORTSA-N 2 1 260.303 3.092 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)o1 ZINC000893967049 619341192 /nfs/dbraw/zinc/34/11/92/619341192.db2.gz VVMGUVUBJOQDIQ-LLVKDONJSA-N 2 1 277.393 3.104 20 0 CGADMP C[C@@H]([NH2+]Cc1cscn1)c1cccc(C[NH+](C)C)c1 ZINC000924870178 619377265 /nfs/dbraw/zinc/37/72/65/619377265.db2.gz DGANZBDLAQWKGQ-GFCCVEGCSA-N 2 1 275.421 3.056 20 0 CGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000877539640 619399933 /nfs/dbraw/zinc/39/99/33/619399933.db2.gz QQLNCDVNPOUQEX-IQUTYRLHSA-N 2 1 292.404 3.028 20 0 CGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000877539640 619399936 /nfs/dbraw/zinc/39/99/36/619399936.db2.gz QQLNCDVNPOUQEX-IQUTYRLHSA-N 2 1 292.404 3.028 20 0 CGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000877539649 619400210 /nfs/dbraw/zinc/40/02/10/619400210.db2.gz QQLNCDVNPOUQEX-LPMFXHHGSA-N 2 1 292.404 3.028 20 0 CGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000877539649 619400212 /nfs/dbraw/zinc/40/02/12/619400212.db2.gz QQLNCDVNPOUQEX-LPMFXHHGSA-N 2 1 292.404 3.028 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924959694 619462146 /nfs/dbraw/zinc/46/21/46/619462146.db2.gz LISIZWTWXVMVIK-HNSVSWJLSA-N 2 1 282.497 3.123 20 0 CGADMP COCCCC1(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCC1 ZINC000894417494 619528653 /nfs/dbraw/zinc/52/86/53/619528653.db2.gz OKYSOTRPPSFOSN-SJPCQFCGSA-N 2 1 294.483 3.140 20 0 CGADMP COCCCC1(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC000894417494 619528655 /nfs/dbraw/zinc/52/86/55/619528655.db2.gz OKYSOTRPPSFOSN-SJPCQFCGSA-N 2 1 294.483 3.140 20 0 CGADMP COCCCC1(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000894417494 619528657 /nfs/dbraw/zinc/52/86/57/619528657.db2.gz OKYSOTRPPSFOSN-SJPCQFCGSA-N 2 1 294.483 3.140 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@H]1CCc2ccccc21)C1CC1 ZINC000894807909 619640795 /nfs/dbraw/zinc/64/07/95/619640795.db2.gz ZZBNSAWMZSKMRP-MRXNPFEDSA-N 2 1 272.436 3.180 20 0 CGADMP FC(F)(F)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262066038 619644926 /nfs/dbraw/zinc/64/49/26/619644926.db2.gz RPZMNEVOXJZAKF-UHFFFAOYSA-N 2 1 298.352 3.281 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1N)[NH+](C)C ZINC000895290903 619796175 /nfs/dbraw/zinc/79/61/75/619796175.db2.gz VVKDRVXEKJZJQD-VIFPVBQESA-N 2 1 290.238 3.005 20 0 CGADMP CCc1ncc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)s1 ZINC000895380423 619816672 /nfs/dbraw/zinc/81/66/72/619816672.db2.gz YJRIHSKXAPRTIP-HIFRSBDPSA-N 2 1 295.496 3.258 20 0 CGADMP CCc1ncc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)s1 ZINC000895380423 619816675 /nfs/dbraw/zinc/81/66/75/619816675.db2.gz YJRIHSKXAPRTIP-HIFRSBDPSA-N 2 1 295.496 3.258 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccc(C(F)F)c(F)c1)[NH+](C)C ZINC000895428847 619824554 /nfs/dbraw/zinc/82/45/54/619824554.db2.gz JKTNAZRVWVZTAX-SNVBAGLBSA-N 2 1 274.330 3.193 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841030113 620407586 /nfs/dbraw/zinc/40/75/86/620407586.db2.gz KQVBSYVNPBYMDJ-HNNXBMFYSA-N 2 1 276.424 3.007 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621639 620410161 /nfs/dbraw/zinc/41/01/61/620410161.db2.gz LRDXIYRLTNWJDT-YTQUADARSA-N 2 1 286.463 3.139 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621639 620410162 /nfs/dbraw/zinc/41/01/62/620410162.db2.gz LRDXIYRLTNWJDT-YTQUADARSA-N 2 1 286.463 3.139 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621639 620410163 /nfs/dbraw/zinc/41/01/63/620410163.db2.gz LRDXIYRLTNWJDT-YTQUADARSA-N 2 1 286.463 3.139 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898322604 620506384 /nfs/dbraw/zinc/50/63/84/620506384.db2.gz NZDYQWGDUSEPPG-QGZVFWFLSA-N 2 1 287.451 3.385 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C(C)C)CC2)C1 ZINC000054555959 620517929 /nfs/dbraw/zinc/51/79/29/620517929.db2.gz FEDHVMZTRBDYAZ-QQFBHYJXSA-N 2 1 252.446 3.133 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)[NH+](C)C ZINC000924633153 620549881 /nfs/dbraw/zinc/54/98/81/620549881.db2.gz NHBOUFNAPUUHIN-SQNIBIBYSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC3CCC2CC3)cn1 ZINC000924725534 620578722 /nfs/dbraw/zinc/57/87/22/620578722.db2.gz XJZMPSPSHWZXGN-PREGVCBESA-N 2 1 296.418 3.244 20 0 CGADMP CNc1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000902067617 621135784 /nfs/dbraw/zinc/13/57/84/621135784.db2.gz ZFWIFZKBEYYNJJ-MRXNPFEDSA-N 2 1 289.467 3.330 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C1 ZINC000902361349 621289697 /nfs/dbraw/zinc/28/96/97/621289697.db2.gz MZMNSWJRUNAMNV-DZGCQCFKSA-N 2 1 292.398 3.017 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)CCO2 ZINC000902403547 621307720 /nfs/dbraw/zinc/30/77/20/621307720.db2.gz IJLUDVSGXLLCEC-OCBCSQNSSA-N 2 1 294.398 3.417 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1Cl ZINC000902403629 621307835 /nfs/dbraw/zinc/30/78/35/621307835.db2.gz AHWOKSKZLNZWOQ-LLVKDONJSA-N 2 1 282.815 3.269 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC=CCCC1)c1c[nH+]ccc1N ZINC000902458444 621335069 /nfs/dbraw/zinc/33/50/69/621335069.db2.gz XDLPNCHUIVWEMK-ZIAGYGMSSA-N 2 1 259.397 3.281 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902727006 621414048 /nfs/dbraw/zinc/41/40/48/621414048.db2.gz WIOPCJXNTSKZEH-AEFFLSMTSA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CCn1cc[nH+]c1C ZINC000902783126 621439799 /nfs/dbraw/zinc/43/97/99/621439799.db2.gz YASZJDRFFBVWJZ-UGSOOPFHSA-N 2 1 299.418 3.113 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCOCC1 ZINC000902793301 621449792 /nfs/dbraw/zinc/44/97/92/621449792.db2.gz HAVIZYKZMFPKNP-GOSISDBHSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCOCC1 ZINC000902793301 621449797 /nfs/dbraw/zinc/44/97/97/621449797.db2.gz HAVIZYKZMFPKNP-GOSISDBHSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)CC1(C[NH2+][C@H](c2ccccn2)C2CC2)CCCC1 ZINC000903151323 621611324 /nfs/dbraw/zinc/61/13/24/621611324.db2.gz DUUOVBTUBSIVEY-KRWDZBQOSA-N 2 1 287.451 3.244 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCCO1 ZINC000903196802 621621805 /nfs/dbraw/zinc/62/18/05/621621805.db2.gz RNPIQUKSFBETCU-MOUFXGFKSA-N 2 1 292.467 3.082 20 0 CGADMP c1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CC2)nc1 ZINC000903207688 621629370 /nfs/dbraw/zinc/62/93/70/621629370.db2.gz ZEPOOPFOBWITKN-QFBILLFUSA-N 2 1 299.462 3.244 20 0 CGADMP c1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)nc1 ZINC000903207688 621629371 /nfs/dbraw/zinc/62/93/71/621629371.db2.gz ZEPOOPFOBWITKN-QFBILLFUSA-N 2 1 299.462 3.244 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000903353094 621710894 /nfs/dbraw/zinc/71/08/94/621710894.db2.gz BNFZJYFEEZWNMK-INMHGKMJSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000903353094 621710897 /nfs/dbraw/zinc/71/08/97/621710897.db2.gz BNFZJYFEEZWNMK-INMHGKMJSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]C1CCC(F)(F)CC1)c1cccnc1 ZINC000903378642 621721068 /nfs/dbraw/zinc/72/10/68/621721068.db2.gz RGICHTWANDWSST-OAHLLOKOSA-N 2 1 297.393 3.242 20 0 CGADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000903426748 621741479 /nfs/dbraw/zinc/74/14/79/621741479.db2.gz MOOHECRRZXSTTC-UKPHBRMFSA-N 2 1 258.409 3.123 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CC2CCCCC2)C2CC2)C1 ZINC000903433213 621744289 /nfs/dbraw/zinc/74/42/89/621744289.db2.gz VBCRXEAOUYOZSO-LSDHHAIUSA-N 2 1 250.430 3.159 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CC2CC2)C2CCCCC2)C1 ZINC000903434500 621745347 /nfs/dbraw/zinc/74/53/47/621745347.db2.gz GJQSPJOCJZJJSA-LSDHHAIUSA-N 2 1 250.430 3.159 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)C1 ZINC000903433303 621745671 /nfs/dbraw/zinc/74/56/71/621745671.db2.gz ZIJMLEBPIDEPMW-JOQOYGCGSA-N 2 1 270.420 3.266 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1c1ccccc1 ZINC000903440205 621749149 /nfs/dbraw/zinc/74/91/49/621749149.db2.gz WGBPHBCVMUBNFU-LMSBXDPUSA-N 2 1 272.436 3.239 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000903463429 621753825 /nfs/dbraw/zinc/75/38/25/621753825.db2.gz AWJXGMHHVHSEFH-IVMMDQJWSA-N 2 1 292.398 3.099 20 0 CGADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000903563840 621767555 /nfs/dbraw/zinc/76/75/55/621767555.db2.gz LPTSASQKHFQUMP-OAHLLOKOSA-N 2 1 270.461 3.175 20 0 CGADMP C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903565659 621767738 /nfs/dbraw/zinc/76/77/38/621767738.db2.gz APFFFERWQYUJDK-MVJTYMMSSA-N 2 1 272.436 3.382 20 0 CGADMP COCC[NH2+]C1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC000903763206 621803306 /nfs/dbraw/zinc/80/33/06/621803306.db2.gz IMJRXVULBQPLPO-UHFFFAOYSA-N 2 1 290.451 3.010 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CCCCCCC[NH3+])nc1 ZINC000903833930 621819003 /nfs/dbraw/zinc/81/90/03/621819003.db2.gz ZRRRJMWKPSHVEK-QGZVFWFLSA-N 2 1 291.439 3.136 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879233 621825399 /nfs/dbraw/zinc/82/53/99/621825399.db2.gz WDVXIHSEPMAKKU-YTTRVJOFSA-N 2 1 288.435 3.219 20 0 CGADMP C1=CC[C@]2(CC1)CCC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903893054 621827871 /nfs/dbraw/zinc/82/78/71/621827871.db2.gz PLKQPMLVPHULCW-FBVQUNGASA-N 2 1 274.452 3.339 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000903897988 621829507 /nfs/dbraw/zinc/82/95/07/621829507.db2.gz KWQNCUVIAIFITF-JKSUJKDBSA-N 2 1 296.405 3.456 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000903897988 621829509 /nfs/dbraw/zinc/82/95/09/621829509.db2.gz KWQNCUVIAIFITF-JKSUJKDBSA-N 2 1 296.405 3.456 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903899103 621829900 /nfs/dbraw/zinc/82/99/00/621829900.db2.gz RQEFYDDZIVUYKM-XVLXNVKGSA-N 2 1 286.463 3.470 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CCC([NH3+])(CC)CC1 ZINC000903945954 621839086 /nfs/dbraw/zinc/83/90/86/621839086.db2.gz APGMNTNQUPUYMN-UHFFFAOYSA-N 2 1 264.388 3.091 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2c2cccs2)CCC[NH2+]C1 ZINC000904303824 621901985 /nfs/dbraw/zinc/90/19/85/621901985.db2.gz IKQUAQXRVAAHEN-ZFWWWQNUSA-N 2 1 264.438 3.275 20 0 CGADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1c1ccccc1 ZINC000904326649 621907245 /nfs/dbraw/zinc/90/72/45/621907245.db2.gz PITYORRTCAZQGG-CWLKWCNXSA-N 2 1 272.436 3.239 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904325114 621907379 /nfs/dbraw/zinc/90/73/79/621907379.db2.gz PJHQGPWQBPRAGW-UXLLHSPISA-N 2 1 258.409 3.178 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904410582 621919443 /nfs/dbraw/zinc/91/94/43/621919443.db2.gz PACSWZQOTWGKIX-MRXNPFEDSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1cc(C)nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000930117072 624447323 /nfs/dbraw/zinc/44/73/23/624447323.db2.gz FEDFVHRYUAMFII-UHFFFAOYSA-N 2 1 297.446 3.392 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC=CCC2)CC1(C)C ZINC000922966456 626109053 /nfs/dbraw/zinc/10/90/53/626109053.db2.gz UIMZNLBABXCZKU-HNNXBMFYSA-N 2 1 250.430 3.195 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923349253 626148117 /nfs/dbraw/zinc/14/81/17/626148117.db2.gz RHDPIPRMPNJGAZ-AWEZNQCLSA-N 2 1 250.430 3.018 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488425 626157746 /nfs/dbraw/zinc/15/77/46/626157746.db2.gz FRUMTOLYLODCPH-XJKSGUPXSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493834 626158674 /nfs/dbraw/zinc/15/86/74/626158674.db2.gz IRXYFHWDFNRUPK-BZPMIXESSA-N 2 1 266.816 3.318 20 0 CGADMP c1ccc(OCCCC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000923539353 626161999 /nfs/dbraw/zinc/16/19/99/626161999.db2.gz NUKDVJRAAQNHRA-SFHVURJKSA-N 2 1 288.435 3.064 20 0 CGADMP c1ccc(OCCCC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000923539353 626162002 /nfs/dbraw/zinc/16/20/02/626162002.db2.gz NUKDVJRAAQNHRA-SFHVURJKSA-N 2 1 288.435 3.064 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839182206 626326481 /nfs/dbraw/zinc/32/64/81/626326481.db2.gz LJTHNOYHHMHKCJ-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@H]([NH2+]CCCCCCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754463357 626572750 /nfs/dbraw/zinc/57/27/50/626572750.db2.gz AEPITNCKFHGPAV-IRXDYDNUSA-N 2 1 296.499 3.172 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CSC(C)(C)C ZINC000764807471 627225904 /nfs/dbraw/zinc/22/59/04/627225904.db2.gz WETAGQWIJBIECV-CYBMUJFWSA-N 2 1 260.491 3.227 20 0 CGADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3cc(OC)ccc32)C[C@H]1C ZINC000765640854 627264795 /nfs/dbraw/zinc/26/47/95/627264795.db2.gz HPERGHUKTSLCKA-KGLIPLIRSA-N 2 1 299.418 3.162 20 0 CGADMP CCCCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1(C)C ZINC000766452804 627332654 /nfs/dbraw/zinc/33/26/54/627332654.db2.gz XYTUMWMFPAASLR-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc2c(c1)CCCO2 ZINC000768100370 627458326 /nfs/dbraw/zinc/45/83/26/627458326.db2.gz RYDMXDLFDSPXRS-QGZVFWFLSA-N 2 1 299.418 3.257 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC3)C[C@H]1C ZINC000769470284 627557103 /nfs/dbraw/zinc/55/71/03/627557103.db2.gz KIFAUXATVVMEFV-RDTXWAMCSA-N 2 1 288.435 3.021 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC3)C[C@H]1C ZINC000769470284 627557105 /nfs/dbraw/zinc/55/71/05/627557105.db2.gz KIFAUXATVVMEFV-RDTXWAMCSA-N 2 1 288.435 3.021 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)COC3)C[C@H]1C ZINC000769470284 627557109 /nfs/dbraw/zinc/55/71/09/627557109.db2.gz KIFAUXATVVMEFV-RDTXWAMCSA-N 2 1 288.435 3.021 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)COC3)C[C@H]1C ZINC000769470284 627557112 /nfs/dbraw/zinc/55/71/12/627557112.db2.gz KIFAUXATVVMEFV-RDTXWAMCSA-N 2 1 288.435 3.021 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000769870264 627585462 /nfs/dbraw/zinc/58/54/62/627585462.db2.gz FQGHVKZMRCPCLN-UKRRQHHQSA-N 2 1 293.455 3.316 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000769870264 627585464 /nfs/dbraw/zinc/58/54/64/627585464.db2.gz FQGHVKZMRCPCLN-UKRRQHHQSA-N 2 1 293.455 3.316 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)o1 ZINC000770377272 627616320 /nfs/dbraw/zinc/61/63/20/627616320.db2.gz ZKMINNCMYRHKBS-YJBOKZPZSA-N 2 1 288.435 3.345 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)o1 ZINC000770377272 627616324 /nfs/dbraw/zinc/61/63/24/627616324.db2.gz ZKMINNCMYRHKBS-YJBOKZPZSA-N 2 1 288.435 3.345 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)o1 ZINC000770377272 627616330 /nfs/dbraw/zinc/61/63/30/627616330.db2.gz ZKMINNCMYRHKBS-YJBOKZPZSA-N 2 1 288.435 3.345 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000774145838 627951248 /nfs/dbraw/zinc/95/12/48/627951248.db2.gz BZTTWEIARQONFN-RJCAOGMDSA-N 2 1 276.399 3.144 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)CCO)[NH2+][C@@H](C)c1ccccc1 ZINC000779349057 628409614 /nfs/dbraw/zinc/40/96/14/628409614.db2.gz VEZZDQMSMPRQBO-CVEARBPZSA-N 2 1 292.467 3.257 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000780288658 628478578 /nfs/dbraw/zinc/47/85/78/628478578.db2.gz LOJZLHOGFSPURX-FUHWJXTLSA-N 2 1 284.447 3.134 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCc3ccccc32)[C@H](C)C1 ZINC000780302017 628480437 /nfs/dbraw/zinc/48/04/37/628480437.db2.gz NBPSOVCDBHFBJT-SUMDDJOVSA-N 2 1 286.463 3.379 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCc3ccccc32)[C@H](C)C1 ZINC000780302017 628480438 /nfs/dbraw/zinc/48/04/38/628480438.db2.gz NBPSOVCDBHFBJT-SUMDDJOVSA-N 2 1 286.463 3.379 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCc3ccccc32)[C@H](C)C1 ZINC000780302017 628480441 /nfs/dbraw/zinc/48/04/41/628480441.db2.gz NBPSOVCDBHFBJT-SUMDDJOVSA-N 2 1 286.463 3.379 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000782155898 628618686 /nfs/dbraw/zinc/61/86/86/628618686.db2.gz XJWZVEFWDWWOPO-ZBHMHGNTSA-N 2 1 288.479 3.419 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CC1CC[NH+](C)CC1)CCC2 ZINC000782182953 628620953 /nfs/dbraw/zinc/62/09/53/628620953.db2.gz HCLNOUSQOKIITP-OAHLLOKOSA-N 2 1 293.480 3.103 20 0 CGADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000782183284 628621237 /nfs/dbraw/zinc/62/12/37/628621237.db2.gz JZJCAUBKLGDDMF-DLBZAZTESA-N 2 1 296.499 3.244 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000788469386 629056770 /nfs/dbraw/zinc/05/67/70/629056770.db2.gz IVEJQPMUXANJOQ-GOSISDBHSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cncc3ccccc32)CC1 ZINC000789558750 629144899 /nfs/dbraw/zinc/14/48/99/629144899.db2.gz BDRUIJVCKMKCNR-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000790047622 629179796 /nfs/dbraw/zinc/17/97/96/629179796.db2.gz AGZLGEHPNANXJI-NUJGCVRESA-N 2 1 286.463 3.426 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000790047622 629179797 /nfs/dbraw/zinc/17/97/97/629179797.db2.gz AGZLGEHPNANXJI-NUJGCVRESA-N 2 1 286.463 3.426 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000793527166 629475725 /nfs/dbraw/zinc/47/57/25/629475725.db2.gz UDUNBGTWDWGLRZ-CVEARBPZSA-N 2 1 292.471 3.034 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863483047 629588123 /nfs/dbraw/zinc/58/81/23/629588123.db2.gz PEJODLBIQGHUPU-WFASDCNBSA-N 2 1 278.827 3.145 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000863544083 629603602 /nfs/dbraw/zinc/60/36/02/629603602.db2.gz KLQDCXJWQQRIBV-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000863544083 629603606 /nfs/dbraw/zinc/60/36/06/629603606.db2.gz KLQDCXJWQQRIBV-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(OCC)c2)C1 ZINC000865427491 630117819 /nfs/dbraw/zinc/11/78/19/630117819.db2.gz HGWLQNBUGRKSQU-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(OCC)c2)C1 ZINC000865427491 630117823 /nfs/dbraw/zinc/11/78/23/630117823.db2.gz HGWLQNBUGRKSQU-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP Cc1ccccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957296 630128561 /nfs/dbraw/zinc/12/85/61/630128561.db2.gz RHJXBAQXIVLUKQ-UHFFFAOYSA-N 2 1 272.436 3.303 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000817888408 632228895 /nfs/dbraw/zinc/22/88/95/632228895.db2.gz LINOHRWKXUWDCM-DLBZAZTESA-N 2 1 276.424 3.223 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC000817892351 632230876 /nfs/dbraw/zinc/23/08/76/632230876.db2.gz TZSPQSXDMIVYJV-GXTWGEPZSA-N 2 1 281.831 3.135 20 0 CGADMP N[C@H]1CCCCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817912403 632233632 /nfs/dbraw/zinc/23/36/32/632233632.db2.gz AHOGPIZRZMGUNR-ROUUACIJSA-N 2 1 295.515 3.282 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000817938308 632239534 /nfs/dbraw/zinc/23/95/34/632239534.db2.gz IQNXHAZIPFWOSQ-ZDUSSCGKSA-N 2 1 264.388 3.446 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000817958712 632253073 /nfs/dbraw/zinc/25/30/73/632253073.db2.gz LVEAOXNAKKISNB-JSGCOSHPSA-N 2 1 272.502 3.404 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccnc(Cl)c1 ZINC000817959224 632255283 /nfs/dbraw/zinc/25/52/83/632255283.db2.gz QQADNKAFIOGUMR-FZMZJTMJSA-N 2 1 281.831 3.293 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822770960 633020189 /nfs/dbraw/zinc/02/01/89/633020189.db2.gz NQRFRTZXMDWUCO-LBPRGKRZSA-N 2 1 290.238 3.097 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822770960 633020192 /nfs/dbraw/zinc/02/01/92/633020192.db2.gz NQRFRTZXMDWUCO-LBPRGKRZSA-N 2 1 290.238 3.097 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000866372169 633108075 /nfs/dbraw/zinc/10/80/75/633108075.db2.gz DVOKIKNENDGOBJ-DLBZAZTESA-N 2 1 274.452 3.248 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866582428 633203527 /nfs/dbraw/zinc/20/35/27/633203527.db2.gz FMTGZRMOZANMQE-UAGQMJEPSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866582428 633203533 /nfs/dbraw/zinc/20/35/33/633203533.db2.gz FMTGZRMOZANMQE-UAGQMJEPSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866582428 633203537 /nfs/dbraw/zinc/20/35/37/633203537.db2.gz FMTGZRMOZANMQE-UAGQMJEPSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866582428 633203546 /nfs/dbraw/zinc/20/35/46/633203546.db2.gz FMTGZRMOZANMQE-UAGQMJEPSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583652 633203816 /nfs/dbraw/zinc/20/38/16/633203816.db2.gz DECZILSMMXVGSR-HFTRVMKXSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583652 633203825 /nfs/dbraw/zinc/20/38/25/633203825.db2.gz DECZILSMMXVGSR-HFTRVMKXSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583652 633203829 /nfs/dbraw/zinc/20/38/29/633203829.db2.gz DECZILSMMXVGSR-HFTRVMKXSA-N 2 1 290.426 3.173 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866584157 633204038 /nfs/dbraw/zinc/20/40/38/633204038.db2.gz NAYCBOTYGTZYQY-BRWVUGGUSA-N 2 1 258.409 3.164 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584157 633204042 /nfs/dbraw/zinc/20/40/42/633204042.db2.gz NAYCBOTYGTZYQY-BRWVUGGUSA-N 2 1 258.409 3.164 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584157 633204050 /nfs/dbraw/zinc/20/40/50/633204050.db2.gz NAYCBOTYGTZYQY-BRWVUGGUSA-N 2 1 258.409 3.164 20 0 CGADMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000866699987 633232440 /nfs/dbraw/zinc/23/24/40/633232440.db2.gz YCRHTCDEGZGUQR-UHFFFAOYSA-N 2 1 268.351 3.198 20 0 CGADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000866699987 633232450 /nfs/dbraw/zinc/23/24/50/633232450.db2.gz YCRHTCDEGZGUQR-UHFFFAOYSA-N 2 1 268.351 3.198 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697127 633232610 /nfs/dbraw/zinc/23/26/10/633232610.db2.gz GMLGESHILAFTBT-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)CCC(F)(F)F)C1 ZINC000872023345 633943762 /nfs/dbraw/zinc/94/37/62/633943762.db2.gz GCKYULMXHMYBJA-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2C=CCC2)[C@@H](C)C1 ZINC000872105808 634027798 /nfs/dbraw/zinc/02/77/98/634027798.db2.gz BZIFWROKBWODDM-XHSDSOJGSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846218617 636161365 /nfs/dbraw/zinc/16/13/65/636161365.db2.gz TZAWKTVAMAJTSL-ZDUSSCGKSA-N 2 1 264.388 3.264 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000872155820 634066281 /nfs/dbraw/zinc/06/62/81/634066281.db2.gz WRRGMMGYEJIEHI-MRXNPFEDSA-N 2 1 264.388 3.264 20 0 CGADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157752 634067985 /nfs/dbraw/zinc/06/79/85/634067985.db2.gz QUEUEVCDWSEMQK-BURFUSLBSA-N 2 1 294.483 3.031 20 0 CGADMP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872523649 634161976 /nfs/dbraw/zinc/16/19/76/634161976.db2.gz SLBNUNWIXQQOPD-AWEZNQCLSA-N 2 1 282.391 3.077 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873200980 634284448 /nfs/dbraw/zinc/28/44/48/634284448.db2.gz QNQHDIHHFZGUHI-HNNXBMFYSA-N 2 1 287.432 3.059 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C(C1CC1)C1CC1 ZINC000873204365 634284739 /nfs/dbraw/zinc/28/47/39/634284739.db2.gz BYWQMXZGADKMBA-UHFFFAOYSA-N 2 1 276.449 3.014 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1Cl ZINC000840807859 635055937 /nfs/dbraw/zinc/05/59/37/635055937.db2.gz HETQRPNAHYKONF-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CCCCCCC2)CC[NH2+]1 ZINC000841008018 635105549 /nfs/dbraw/zinc/10/55/49/635105549.db2.gz XFCMQWXEMUPZGV-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742641 635179979 /nfs/dbraw/zinc/17/99/79/635179979.db2.gz FVIFYESRNXFCQW-HRSGCLKMSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877742641 635179986 /nfs/dbraw/zinc/17/99/86/635179986.db2.gz FVIFYESRNXFCQW-HRSGCLKMSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877742641 635179992 /nfs/dbraw/zinc/17/99/92/635179992.db2.gz FVIFYESRNXFCQW-HRSGCLKMSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877742641 635179997 /nfs/dbraw/zinc/17/99/97/635179997.db2.gz FVIFYESRNXFCQW-HRSGCLKMSA-N 2 1 270.420 3.116 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccc(Cl)nc1 ZINC000842471620 635375537 /nfs/dbraw/zinc/37/55/37/635375537.db2.gz MSOWBSRKJPCNPT-UHFFFAOYSA-N 2 1 269.820 3.076 20 0 CGADMP COc1ccc([C@H]2CC[N@@H+](CCCCCCC[NH3+])C2)cc1 ZINC000842472081 635378588 /nfs/dbraw/zinc/37/85/88/635378588.db2.gz PXUJMSGISOZZBM-KRWDZBQOSA-N 2 1 290.451 3.394 20 0 CGADMP C=C/C=C/CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411781 635495350 /nfs/dbraw/zinc/49/53/50/635495350.db2.gz NUDQYKBFSGXUGP-SGFLJFKBSA-N 2 1 262.441 3.361 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878513058 635538064 /nfs/dbraw/zinc/53/80/64/635538064.db2.gz UEWXJMHJGYDFEW-KBPBESRZSA-N 2 1 274.399 3.228 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000843051168 635549674 /nfs/dbraw/zinc/54/96/74/635549674.db2.gz FKZYLLBBUQJCJJ-MFKMUULPSA-N 2 1 286.391 3.170 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000843051168 635549681 /nfs/dbraw/zinc/54/96/81/635549681.db2.gz FKZYLLBBUQJCJJ-MFKMUULPSA-N 2 1 286.391 3.170 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000843054150 635551623 /nfs/dbraw/zinc/55/16/23/635551623.db2.gz ZHLAITPYDGUNNY-VGUREELVSA-N 2 1 270.420 3.134 20 0 CGADMP Cc1cc(F)c(C[N@H+](C)C2CCC([NH3+])CC2)c(Cl)c1 ZINC000843054672 635551720 /nfs/dbraw/zinc/55/17/20/635551720.db2.gz AOCWUERAYIDTSS-UHFFFAOYSA-N 2 1 284.806 3.489 20 0 CGADMP C[NH2+]CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000843359077 635653913 /nfs/dbraw/zinc/65/39/13/635653913.db2.gz GSDXTYJZDADWJU-CABCVRRESA-N 2 1 296.480 3.026 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCCCCCC1 ZINC000843358202 635654200 /nfs/dbraw/zinc/65/42/00/635654200.db2.gz COOSHAPYKRMRAB-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000879285972 635746822 /nfs/dbraw/zinc/74/68/22/635746822.db2.gz GQWXVHIHIKKDNI-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP Cc1cncc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000879749746 635853240 /nfs/dbraw/zinc/85/32/40/635853240.db2.gz KYCNBXLUCWEOKG-DLBZAZTESA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cncc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000879749746 635853244 /nfs/dbraw/zinc/85/32/44/635853244.db2.gz KYCNBXLUCWEOKG-DLBZAZTESA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cncc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000879749746 635853250 /nfs/dbraw/zinc/85/32/50/635853250.db2.gz KYCNBXLUCWEOKG-DLBZAZTESA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cncc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000879749337 635853612 /nfs/dbraw/zinc/85/36/12/635853612.db2.gz HAJLNXJOOXFTCA-GOSISDBHSA-N 2 1 287.451 3.403 20 0 CGADMP Cc1cncc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000879749337 635853617 /nfs/dbraw/zinc/85/36/17/635853617.db2.gz HAJLNXJOOXFTCA-GOSISDBHSA-N 2 1 287.451 3.403 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@H](CF)C1)[NH+]1CCC[C@H](CF)C1 ZINC000880233909 635945241 /nfs/dbraw/zinc/94/52/41/635945241.db2.gz AORPDEXHMZSZEU-BZUAXINKSA-N 2 1 288.426 3.128 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@H](CF)C1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880233909 635945245 /nfs/dbraw/zinc/94/52/45/635945245.db2.gz AORPDEXHMZSZEU-BZUAXINKSA-N 2 1 288.426 3.128 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@H](CF)C1)[N@H+]1CCC[C@H](CF)C1 ZINC000880233909 635945249 /nfs/dbraw/zinc/94/52/49/635945249.db2.gz AORPDEXHMZSZEU-BZUAXINKSA-N 2 1 288.426 3.128 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000880517623 636013081 /nfs/dbraw/zinc/01/30/81/636013081.db2.gz VJAIYZRRJSPIRW-BZSNNMDCSA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000846109460 636145139 /nfs/dbraw/zinc/14/51/39/636145139.db2.gz JMOLCVGZJQCMSZ-AGIUHOORSA-N 2 1 293.282 3.280 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCCCC[NH3+] ZINC000846218997 636162132 /nfs/dbraw/zinc/16/21/32/636162132.db2.gz BZXFOURQJWKJHJ-DOTOQJQBSA-N 2 1 260.425 3.384 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](c2ccc(F)cc2)O1 ZINC000846219024 636162407 /nfs/dbraw/zinc/16/24/07/636162407.db2.gz CXMLXQWZPWWNAE-WMLDXEAASA-N 2 1 294.414 3.107 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CCCCCC[NH3+])CCC2 ZINC000846220288 636163466 /nfs/dbraw/zinc/16/34/66/636163466.db2.gz NJJGLGVCVWLBGV-CQSZACIVSA-N 2 1 281.469 3.280 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](CCc1ccccc1)C1CC1 ZINC000846781886 636239584 /nfs/dbraw/zinc/23/95/84/636239584.db2.gz MSRMLINHPNILCA-UHFFFAOYSA-N 2 1 283.419 3.060 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000846781886 636239589 /nfs/dbraw/zinc/23/95/89/636239589.db2.gz MSRMLINHPNILCA-UHFFFAOYSA-N 2 1 283.419 3.060 20 0 CGADMP Cc1nsc(C)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000846892754 636272613 /nfs/dbraw/zinc/27/26/13/636272613.db2.gz WBFAYDGYHMOQAG-UHFFFAOYSA-N 2 1 293.480 3.068 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883185618 636570507 /nfs/dbraw/zinc/57/05/07/636570507.db2.gz AVLLVEXJSPTVEO-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CCCCCCNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000849058853 636734316 /nfs/dbraw/zinc/73/43/16/636734316.db2.gz QKQJZLFJXFDEME-UHFFFAOYSA-N 2 1 296.503 3.335 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CC[C@H]1CCCC1(F)F)CC[NH2+]CC2 ZINC000883434552 636754624 /nfs/dbraw/zinc/75/46/24/636754624.db2.gz UTZRPYGGTGNXDP-ZIAGYGMSSA-N 2 1 286.410 3.276 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422498 637055600 /nfs/dbraw/zinc/05/56/00/637055600.db2.gz SDOJIZKMJWRQGF-AWEZNQCLSA-N 2 1 288.435 3.147 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000885923233 637312906 /nfs/dbraw/zinc/31/29/06/637312906.db2.gz UIUGONVWEAXKKA-FGTMMUONSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885953689 637329716 /nfs/dbraw/zinc/32/97/16/637329716.db2.gz CWWWPTQUXBWXIT-IEXSPKMKSA-N 2 1 276.399 3.160 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C/c1cccc(F)c1 ZINC000885968837 637336744 /nfs/dbraw/zinc/33/67/44/637336744.db2.gz AZRQKMAAQNAEHQ-YVZNUBBCSA-N 2 1 287.382 3.270 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCOC2CCCCC2)CC1 ZINC000885979711 637341128 /nfs/dbraw/zinc/34/11/28/637341128.db2.gz KTAJZOZDNGKNRX-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081244 637403330 /nfs/dbraw/zinc/40/33/30/637403330.db2.gz KPANOXNRHUVVPQ-NEPXVJNWSA-N 2 1 288.479 3.371 20 0 CGADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081244 637403333 /nfs/dbraw/zinc/40/33/33/637403333.db2.gz KPANOXNRHUVVPQ-NEPXVJNWSA-N 2 1 288.479 3.371 20 0 CGADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081244 637403339 /nfs/dbraw/zinc/40/33/39/637403339.db2.gz KPANOXNRHUVVPQ-NEPXVJNWSA-N 2 1 288.479 3.371 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886169884 637446443 /nfs/dbraw/zinc/44/64/43/637446443.db2.gz KQLJYJAQHPPYRO-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC1(C)C ZINC000886343441 637506497 /nfs/dbraw/zinc/50/64/97/637506497.db2.gz XSQVNSOZLQALIQ-WBVHZDCISA-N 2 1 294.483 3.188 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC000852007608 637571034 /nfs/dbraw/zinc/57/10/34/637571034.db2.gz PEBBAJGGWFYIOJ-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP FC1(F)CC(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000852117455 637600189 /nfs/dbraw/zinc/60/01/89/637600189.db2.gz ZUQSGPGBGNYRIF-UHFFFAOYSA-N 2 1 294.389 3.286 20 0 CGADMP CCO[C@H](C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)C1CC1 ZINC000886659360 637637300 /nfs/dbraw/zinc/63/73/00/637637300.db2.gz KVVXCLPMZSKSIT-MRXNPFEDSA-N 2 1 291.439 3.021 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CC3(C)CCC3)CC2)[nH+]c1C ZINC000886662748 637638604 /nfs/dbraw/zinc/63/86/04/637638604.db2.gz LCSRWQXMCLECDF-UHFFFAOYSA-N 2 1 261.413 3.396 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000220350442 637658721 /nfs/dbraw/zinc/65/87/21/637658721.db2.gz SECRUWDOIWAGHY-NUEKZKHPSA-N 2 1 278.827 3.208 20 0 CGADMP C(CCC[N@H+]1CC[C@@H]2C[C@@H]2C1)CC[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000852633992 637686914 /nfs/dbraw/zinc/68/69/14/637686914.db2.gz FAIQDABBXJYTBI-BRSBDYLESA-N 2 1 276.468 3.230 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000852753751 637706922 /nfs/dbraw/zinc/70/69/22/637706922.db2.gz HPDDXWARJZYGJZ-OAHLLOKOSA-N 2 1 291.439 3.010 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)CCCO2 ZINC000852782014 637710879 /nfs/dbraw/zinc/71/08/79/637710879.db2.gz XRTDERJCXIGGQG-CQSZACIVSA-N 2 1 299.418 3.029 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000886858149 637715723 /nfs/dbraw/zinc/71/57/23/637715723.db2.gz OTFUOFOZQKKWNZ-VYDXJSESSA-N 2 1 258.409 3.069 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867224 637716119 /nfs/dbraw/zinc/71/61/19/637716119.db2.gz AGCPAHPHKGLRAE-DOTOQJQBSA-N 2 1 258.409 3.213 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)o1 ZINC000853093941 637754839 /nfs/dbraw/zinc/75/48/39/637754839.db2.gz ULLBNHJIPBBNBS-MRXNPFEDSA-N 2 1 276.424 3.108 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000853093941 637754844 /nfs/dbraw/zinc/75/48/44/637754844.db2.gz ULLBNHJIPBBNBS-MRXNPFEDSA-N 2 1 276.424 3.108 20 0 CGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000854224755 638027315 /nfs/dbraw/zinc/02/73/15/638027315.db2.gz QVVMEXMLWHFTTO-XDNAFOTISA-N 2 1 288.410 3.049 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000924570796 638364054 /nfs/dbraw/zinc/36/40/54/638364054.db2.gz CEMOMROEOVSRPH-KZNAEPCWSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000924576309 638365315 /nfs/dbraw/zinc/36/53/15/638365315.db2.gz PSWPFCIUYPJWKK-GFCCVEGCSA-N 2 1 272.392 3.486 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000924597282 638371886 /nfs/dbraw/zinc/37/18/86/638371886.db2.gz FDHQYZXOTCGBHA-ROUUACIJSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+]C1[C@H](C)COC[C@H]1C)CC(C)C ZINC000924633132 638380305 /nfs/dbraw/zinc/38/03/05/638380305.db2.gz UZWJNTQVUVIAFJ-OAGGEKHMSA-N 2 1 284.488 3.004 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ncco1 ZINC000924686377 638388654 /nfs/dbraw/zinc/38/86/54/638388654.db2.gz SCUPRGXEEUGBSB-QLFBSQMISA-N 2 1 279.428 3.083 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ncco1 ZINC000924686377 638388660 /nfs/dbraw/zinc/38/86/60/638388660.db2.gz SCUPRGXEEUGBSB-QLFBSQMISA-N 2 1 279.428 3.083 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000924685389 638388973 /nfs/dbraw/zinc/38/89/73/638388973.db2.gz IPAPKGSKQZZABU-IAGOWNOFSA-N 2 1 289.467 3.257 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000925133540 638457317 /nfs/dbraw/zinc/45/73/17/638457317.db2.gz LXOZLLLBNSVTST-MRXNPFEDSA-N 2 1 291.439 3.053 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(Sc3ccccc3)C2)CC[N@@H+]1C ZINC000925141131 638458871 /nfs/dbraw/zinc/45/88/71/638458871.db2.gz LCRZJCHLISGOSE-JPQBHMHHSA-N 2 1 290.476 3.382 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(Sc3ccccc3)C2)CC[N@H+]1C ZINC000925141131 638458875 /nfs/dbraw/zinc/45/88/75/638458875.db2.gz LCRZJCHLISGOSE-JPQBHMHHSA-N 2 1 290.476 3.382 20 0 CGADMP CSCCCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925643964 638555126 /nfs/dbraw/zinc/55/51/26/638555126.db2.gz MGNJPEDQXXZPPZ-UKRRQHHQSA-N 2 1 266.454 3.198 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccccc1 ZINC000925659763 638561195 /nfs/dbraw/zinc/56/11/95/638561195.db2.gz GOOLOIUCNHLKFM-DOMZBBRYSA-N 2 1 282.378 3.490 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000925666887 638563688 /nfs/dbraw/zinc/56/36/88/638563688.db2.gz PAHNIAXHCLLCPQ-ADAWSYLGSA-N 2 1 290.451 3.258 20 0 CGADMP COCC(C)(C)CCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925676088 638566214 /nfs/dbraw/zinc/56/62/14/638566214.db2.gz YMETVQWYSAGOGH-ZBFHGGJFSA-N 2 1 278.440 3.117 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCCC(C)(F)F)c1ccccc1 ZINC000925677794 638567076 /nfs/dbraw/zinc/56/70/76/638567076.db2.gz AXDDYQKSUATAIR-AAEUAGOBSA-N 2 1 256.340 3.100 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000925736051 638589367 /nfs/dbraw/zinc/58/93/67/638589367.db2.gz KQSPTVBYFNLZIH-AEGPPILISA-N 2 1 282.378 3.490 20 0 CGADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1sccc1Br ZINC000925739965 638591674 /nfs/dbraw/zinc/59/16/74/638591674.db2.gz CNIVIRORWFVUQS-QMMMGPOBSA-N 2 1 291.258 3.289 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857907407 638599360 /nfs/dbraw/zinc/59/93/60/638599360.db2.gz NXGUSDFUOPIOJP-MGPQQGTHSA-N 2 1 293.842 3.185 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000925756892 638599839 /nfs/dbraw/zinc/59/98/39/638599839.db2.gz OYECSBPMBBJDHE-OAHLLOKOSA-N 2 1 292.398 3.243 20 0 CGADMP CCc1ccc([C@@H](C)[NH+]2CCC([NH3+])(CC)CC2)o1 ZINC000925756901 638600063 /nfs/dbraw/zinc/60/00/63/638600063.db2.gz PQNWDNDDYKLHOT-GFCCVEGCSA-N 2 1 250.386 3.106 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1OC ZINC000925826270 638624025 /nfs/dbraw/zinc/62/40/25/638624025.db2.gz GOVLWFSFBVIFJK-IOASZLSFSA-N 2 1 294.414 3.263 20 0 CGADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925832326 638626019 /nfs/dbraw/zinc/62/60/19/638626019.db2.gz OAQXHVZMNUFWMZ-YJNKXOJESA-N 2 1 298.352 3.268 20 0 CGADMP C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119889 638712966 /nfs/dbraw/zinc/71/29/66/638712966.db2.gz RKOAFUYVGCZRLR-MELADBBJSA-N 2 1 284.875 3.389 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1(Cl)CC1 ZINC000926119890 638713067 /nfs/dbraw/zinc/71/30/67/638713067.db2.gz RKOAFUYVGCZRLR-MJBXVCDLSA-N 2 1 284.875 3.389 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000926330026 638763361 /nfs/dbraw/zinc/76/33/61/638763361.db2.gz JOLNKSKOWUQOFE-RYRKJORJSA-N 2 1 289.467 3.113 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C(C)(C)C ZINC000926516700 638780450 /nfs/dbraw/zinc/78/04/50/638780450.db2.gz YOMMMWZUOZKSMC-NPYXIHBLSA-N 2 1 296.499 3.433 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000926897267 638822733 /nfs/dbraw/zinc/82/27/33/638822733.db2.gz HEGCTHZODXBNMS-NFAWXSAZSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926897267 638822734 /nfs/dbraw/zinc/82/27/34/638822734.db2.gz HEGCTHZODXBNMS-NFAWXSAZSA-N 2 1 264.388 3.267 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000926922152 638826180 /nfs/dbraw/zinc/82/61/80/638826180.db2.gz ZIQJYTVPGHLNER-YJBOKZPZSA-N 2 1 297.446 3.097 20 0 CGADMP CCSc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926923406 638826247 /nfs/dbraw/zinc/82/62/47/638826247.db2.gz PQVHYBIVQFPIMK-GOEBONIOSA-N 2 1 292.492 3.413 20 0 CGADMP C[NH+](C)CCC1CC[NH+](Cc2coc(C(C)(C)C)n2)CC1 ZINC000929326930 638919068 /nfs/dbraw/zinc/91/90/68/638919068.db2.gz BLWMWRFSGFNXGL-UHFFFAOYSA-N 2 1 293.455 3.136 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(F)F)[C@H](C)C1 ZINC000929998740 638967702 /nfs/dbraw/zinc/96/77/02/638967702.db2.gz GKIZSHGUYGKZQJ-OLZOCXBDSA-N 2 1 262.388 3.084 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931440330 639149479 /nfs/dbraw/zinc/14/94/79/639149479.db2.gz VUKCPRDRRTYKPI-CVEARBPZSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931440330 639149483 /nfs/dbraw/zinc/14/94/83/639149483.db2.gz VUKCPRDRRTYKPI-CVEARBPZSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931440330 639149487 /nfs/dbraw/zinc/14/94/87/639149487.db2.gz VUKCPRDRRTYKPI-CVEARBPZSA-N 2 1 292.854 3.156 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCCC(C)(F)F)CC1 ZINC000931471795 639157773 /nfs/dbraw/zinc/15/77/73/639157773.db2.gz PLLYVIWUEBZDOD-UHFFFAOYSA-N 2 1 262.388 3.228 20 0 CGADMP C[C@H](c1ccc(F)nc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000931702268 639193074 /nfs/dbraw/zinc/19/30/74/639193074.db2.gz AHCIPUQLCMXFJV-OAHLLOKOSA-N 2 1 293.430 3.480 20 0 CGADMP C[C@@H](CC[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000091844824 640723199 /nfs/dbraw/zinc/72/31/99/640723199.db2.gz WNWICLFIWDJTOS-OOHWJJMZSA-N 2 1 260.425 3.382 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000092562488 640740018 /nfs/dbraw/zinc/74/00/18/640740018.db2.gz AIJYKFOFVNOGET-GDBMZVCRSA-N 2 1 298.434 3.492 20 0 CGADMP CCC1CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000093089113 640755117 /nfs/dbraw/zinc/75/51/17/640755117.db2.gz JTABSYLIJQXJCK-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCOc2ccccc21 ZINC000251224851 640823198 /nfs/dbraw/zinc/82/31/98/640823198.db2.gz PCOJJXKLPRLSKT-INMHGKMJSA-N 2 1 288.435 3.411 20 0 CGADMP C(C[N@H+]1CCC[C@H]2CCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251418685 640826168 /nfs/dbraw/zinc/82/61/68/640826168.db2.gz RXWGIDRUQADWFZ-MUOSFQKXSA-N 2 1 262.441 3.172 20 0 CGADMP FC(F)(F)[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251522546 640827548 /nfs/dbraw/zinc/82/75/48/640827548.db2.gz WZIRNYDRZYSITL-PBNFFQIGSA-N 2 1 290.373 3.181 20 0 CGADMP CCCc1cc(NCc2cccc(C[NH+](C)C)c2)nc(C)[nH+]1 ZINC001156048399 805646865 /nfs/dbraw/zinc/64/68/65/805646865.db2.gz QZQREPVFJHVVBX-UHFFFAOYSA-N 2 1 298.434 3.411 20 0 CGADMP Cc1nc(NCC[C@@H]2CCC[N@@H+](C)C2)cc(C(C)C)n1 ZINC001156381933 805681548 /nfs/dbraw/zinc/68/15/48/805681548.db2.gz XATQBXKHDIUFHV-AWEZNQCLSA-N 2 1 276.428 3.052 20 0 CGADMP Cc1c[nH+]c(NCC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001156501610 805704782 /nfs/dbraw/zinc/70/47/82/805704782.db2.gz YRGIMNFPKMBAOD-UHFFFAOYSA-N 2 1 261.413 3.231 20 0 CGADMP CCCc1cc(NCCC[N@@H+]2CCCC[C@H]2C)nc(C)[nH+]1 ZINC001156928823 805755832 /nfs/dbraw/zinc/75/58/32/805755832.db2.gz OOJIQBSYJLKFCB-CQSZACIVSA-N 2 1 290.455 3.414 20 0 CGADMP CCCc1cc(NCCC[N@H+]2CCCC[C@H]2C)nc(C)[nH+]1 ZINC001156928823 805755835 /nfs/dbraw/zinc/75/58/35/805755835.db2.gz OOJIQBSYJLKFCB-CQSZACIVSA-N 2 1 290.455 3.414 20 0 CGADMP CN(CC[N@@H+](C)Cc1ccccc1)c1cc2[nH]ccc2c[nH+]1 ZINC001157553686 805832053 /nfs/dbraw/zinc/83/20/53/805832053.db2.gz GNUVBTOMTSAMJS-UHFFFAOYSA-N 2 1 294.402 3.131 20 0 CGADMP CCCC[C@H](O)C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252099162 805994723 /nfs/dbraw/zinc/99/47/23/805994723.db2.gz KOVUUNOIOUOMPJ-SFHVURJKSA-N 2 1 296.499 3.266 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001252494436 806050998 /nfs/dbraw/zinc/05/09/98/806050998.db2.gz FLCKLADLQANMLS-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001252494436 806051006 /nfs/dbraw/zinc/05/10/06/806051006.db2.gz FLCKLADLQANMLS-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC001253095761 806166418 /nfs/dbraw/zinc/16/64/18/806166418.db2.gz MGPZTBYRYBFVCW-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC001253192641 806180820 /nfs/dbraw/zinc/18/08/20/806180820.db2.gz VWBYWPRXIQQYMN-WMZOPIPTSA-N 2 1 292.467 3.161 20 0 CGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NCC(C)(C)[NH3+])nc1 ZINC001160032365 806216893 /nfs/dbraw/zinc/21/68/93/806216893.db2.gz TXXFQZDZJOSYQP-OAHLLOKOSA-N 2 1 290.455 3.168 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc3c([nH+]1)CCCC3)C2 ZINC001160468511 806275466 /nfs/dbraw/zinc/27/54/66/806275466.db2.gz BGXYMLDPFFTNBD-PHZGNYQRSA-N 2 1 285.435 3.388 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc3c([nH+]1)CCCC3)C2 ZINC001160468511 806275470 /nfs/dbraw/zinc/27/54/70/806275470.db2.gz BGXYMLDPFFTNBD-PHZGNYQRSA-N 2 1 285.435 3.388 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC001160469184 806275735 /nfs/dbraw/zinc/27/57/35/806275735.db2.gz QFZPCZFZPYSZNX-QKDCVEJESA-N 2 1 259.397 3.126 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001160469184 806275741 /nfs/dbraw/zinc/27/57/41/806275741.db2.gz QFZPCZFZPYSZNX-QKDCVEJESA-N 2 1 259.397 3.126 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC001254499412 806421394 /nfs/dbraw/zinc/42/13/94/806421394.db2.gz FWQPNGCULSPPAY-CQSZACIVSA-N 2 1 268.351 3.198 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2)CC1 ZINC001254500998 806423421 /nfs/dbraw/zinc/42/34/21/806423421.db2.gz OBFAVKZLMDSTCX-OAHLLOKOSA-N 2 1 296.842 3.183 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)c2ccccc21 ZINC001254505219 806425785 /nfs/dbraw/zinc/42/57/85/806425785.db2.gz CKQRRYGSRJCQID-JKIFEVAISA-N 2 1 258.409 3.309 20 0 CGADMP C[N@H+]1CCC[C@@H](n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001254508877 806426767 /nfs/dbraw/zinc/42/67/67/806426767.db2.gz TYCSONJDSNTSNT-LSDHHAIUSA-N 2 1 297.446 3.114 20 0 CGADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn([C@H]3CCC[N@@H+](C)CC3)c2c1 ZINC001254506843 806426973 /nfs/dbraw/zinc/42/69/73/806426973.db2.gz BCUXZZGOBDNPPX-WBVHZDCISA-N 2 1 299.462 3.496 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3ccoc3c2)CC1 ZINC001254508179 806428336 /nfs/dbraw/zinc/42/83/36/806428336.db2.gz HSTKQGSPQQBSSN-OAHLLOKOSA-N 2 1 258.365 3.007 20 0 CGADMP Cc1ccc2c(C[C@H](C)[NH3+])cn([C@H]3CCC[N@@H+](C)CC3)c2c1 ZINC001254506842 806428873 /nfs/dbraw/zinc/42/88/73/806428873.db2.gz BCUXZZGOBDNPPX-RDJZCZTQSA-N 2 1 299.462 3.496 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC23CCC(F)(F)CC3)CC1 ZINC001254507684 806429024 /nfs/dbraw/zinc/42/90/24/806429024.db2.gz FJKAXKITAMHJAF-OLZOCXBDSA-N 2 1 272.383 3.028 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC001254509331 806431170 /nfs/dbraw/zinc/43/11/70/806431170.db2.gz YZBSFCRXOBPYIX-JXQTWKCFSA-N 2 1 292.389 3.429 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)C2CCCCC2)CC1 ZINC001254510214 806431589 /nfs/dbraw/zinc/43/15/89/806431589.db2.gz TVBOXPQISVZKAQ-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(c3ccccc3)CC2)CC1 ZINC001254519104 806436874 /nfs/dbraw/zinc/43/68/74/806436874.db2.gz GRFFIYCKULPMGQ-GOSISDBHSA-N 2 1 272.436 3.350 20 0 CGADMP Cc1cccc(C2([NH2+][C@@H]3CCC[N@H+](C)CC3)CCC2)c1 ZINC001254512908 806433356 /nfs/dbraw/zinc/43/33/56/806433356.db2.gz UBZGMQCGGLPSRQ-QGZVFWFLSA-N 2 1 272.436 3.448 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522391 806438089 /nfs/dbraw/zinc/43/80/89/806438089.db2.gz FQUVCICXJXXQOG-PBHICJAKSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522391 806438091 /nfs/dbraw/zinc/43/80/91/806438091.db2.gz FQUVCICXJXXQOG-PBHICJAKSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522391 806438093 /nfs/dbraw/zinc/43/80/93/806438093.db2.gz FQUVCICXJXXQOG-PBHICJAKSA-N 2 1 276.399 3.447 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254525760 806440470 /nfs/dbraw/zinc/44/04/70/806440470.db2.gz MAEAJTXVWXBQPX-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525760 806440476 /nfs/dbraw/zinc/44/04/76/806440476.db2.gz MAEAJTXVWXBQPX-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525760 806440484 /nfs/dbraw/zinc/44/04/84/806440484.db2.gz MAEAJTXVWXBQPX-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)[C@H]1CCC[NH+](C)CC1 ZINC001254525687 806440680 /nfs/dbraw/zinc/44/06/80/806440680.db2.gz KWACFEVOAJNDTQ-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525687 806440684 /nfs/dbraw/zinc/44/06/84/806440684.db2.gz KWACFEVOAJNDTQ-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525687 806440689 /nfs/dbraw/zinc/44/06/89/806440689.db2.gz KWACFEVOAJNDTQ-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254530604 806442583 /nfs/dbraw/zinc/44/25/83/806442583.db2.gz ZJUXUPYPJYIALJ-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@H](C)[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530604 806442586 /nfs/dbraw/zinc/44/25/86/806442586.db2.gz ZJUXUPYPJYIALJ-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@H](C)[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530604 806442590 /nfs/dbraw/zinc/44/25/90/806442590.db2.gz ZJUXUPYPJYIALJ-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH2+]CCc1cn([C@@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254528609 806442742 /nfs/dbraw/zinc/44/27/42/806442742.db2.gz HPDTZYXQWPBENK-MRXNPFEDSA-N 2 1 285.435 3.060 20 0 CGADMP C[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCC[NH+](C)CC1 ZINC001254531124 806444737 /nfs/dbraw/zinc/44/47/37/806444737.db2.gz DRHCUAJVENVLOF-DOTOQJQBSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+]([C@@H]1CCc2ccccc21)[C@H]1CCC[N@H+](C)CC1 ZINC001254531124 806444741 /nfs/dbraw/zinc/44/47/41/806444741.db2.gz DRHCUAJVENVLOF-DOTOQJQBSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+]([C@@H]1CCc2ccccc21)[C@H]1CCC[N@@H+](C)CC1 ZINC001254531124 806444748 /nfs/dbraw/zinc/44/47/48/806444748.db2.gz DRHCUAJVENVLOF-DOTOQJQBSA-N 2 1 258.409 3.090 20 0 CGADMP CCc1cc(NC[C@@H](C(CC)CC)[NH+](C)C)nc(C)[nH+]1 ZINC001162078640 806503180 /nfs/dbraw/zinc/50/31/80/806503180.db2.gz GLEPNRGWJZSVIR-HNNXBMFYSA-N 2 1 278.444 3.126 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001254910399 806505685 /nfs/dbraw/zinc/50/56/85/806505685.db2.gz IUPSDXBSZYPNAJ-IXDOHACOSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2cc(F)ccc21 ZINC001162453355 806587207 /nfs/dbraw/zinc/58/72/07/806587207.db2.gz JRTNDBHWHGLWDJ-TZMCWYRMSA-N 2 1 287.382 3.422 20 0 CGADMP CC(C)Oc1cc[nH+]c(Nc2ccc(C[NH3+])c(F)c2)c1 ZINC001162526017 806611997 /nfs/dbraw/zinc/61/19/97/806611997.db2.gz YEZXVCJXKIKZHD-UHFFFAOYSA-N 2 1 275.327 3.210 20 0 CGADMP C[C@@H]([NH3+])c1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382902 806630231 /nfs/dbraw/zinc/63/02/31/806630231.db2.gz YKSHLDYDMYKTCM-WBVHZDCISA-N 2 1 298.434 3.130 20 0 CGADMP CC(C)OCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382014 806630455 /nfs/dbraw/zinc/63/04/55/806630455.db2.gz RSTLLHILOXNNLU-GOSISDBHSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1[nH+]c2ccc(N[C@@H]3CC[NH2+][C@@H]3C)cc2n1C(C)C ZINC001162677498 806645935 /nfs/dbraw/zinc/64/59/35/806645935.db2.gz LGBBPOINHAEXEK-BXUZGUMPSA-N 2 1 272.396 3.088 20 0 CGADMP C[C@H](CC(F)(F)F)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001255644881 806691343 /nfs/dbraw/zinc/69/13/43/806691343.db2.gz WBVVNEAXMYXILR-GFCCVEGCSA-N 2 1 286.341 3.277 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817625 798945246 /nfs/dbraw/zinc/94/52/46/798945246.db2.gz PDILTVOZWCWWBN-ZFWWWQNUSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817630 798946090 /nfs/dbraw/zinc/94/60/90/798946090.db2.gz TYGYDEIORXQADW-CJNGLKHVSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674342 806702756 /nfs/dbraw/zinc/70/27/56/806702756.db2.gz QIIFYUIAVHFRRN-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674342 806702761 /nfs/dbraw/zinc/70/27/61/806702761.db2.gz QIIFYUIAVHFRRN-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674342 806702767 /nfs/dbraw/zinc/70/27/67/806702767.db2.gz QIIFYUIAVHFRRN-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001255680200 806703309 /nfs/dbraw/zinc/70/33/09/806703309.db2.gz JRMGCGPJHVAAMA-AFLMIKJESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001255680200 806703314 /nfs/dbraw/zinc/70/33/14/806703314.db2.gz JRMGCGPJHVAAMA-AFLMIKJESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC001255680200 806703320 /nfs/dbraw/zinc/70/33/20/806703320.db2.gz JRMGCGPJHVAAMA-AFLMIKJESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC001255680200 806703326 /nfs/dbraw/zinc/70/33/26/806703326.db2.gz JRMGCGPJHVAAMA-AFLMIKJESA-N 2 1 250.430 3.122 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255681646 806704014 /nfs/dbraw/zinc/70/40/14/806704014.db2.gz ZNEQJWMBWDMIOS-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255681646 806704017 /nfs/dbraw/zinc/70/40/17/806704017.db2.gz ZNEQJWMBWDMIOS-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255681646 806704021 /nfs/dbraw/zinc/70/40/21/806704021.db2.gz ZNEQJWMBWDMIOS-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255681646 806704025 /nfs/dbraw/zinc/70/40/25/806704025.db2.gz ZNEQJWMBWDMIOS-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](C)C1CC[NH+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255708717 806712929 /nfs/dbraw/zinc/71/29/29/806712929.db2.gz NPEYNKCXXKEQOB-YPMHNXCESA-N 2 1 278.362 3.134 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001255728363 806723544 /nfs/dbraw/zinc/72/35/44/806723544.db2.gz RPRWHXMFPOTQIK-ZIAGYGMSSA-N 2 1 296.455 3.238 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000310477849 799220967 /nfs/dbraw/zinc/22/09/67/799220967.db2.gz CEPXREGYKBLBLZ-CYBMUJFWSA-N 2 1 297.240 3.010 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000310477849 799220971 /nfs/dbraw/zinc/22/09/71/799220971.db2.gz CEPXREGYKBLBLZ-CYBMUJFWSA-N 2 1 297.240 3.010 20 0 CGADMP C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381799688 799387740 /nfs/dbraw/zinc/38/77/40/799387740.db2.gz RSDGXOVFPVMQFX-SJIIUEBRSA-N 2 1 278.827 3.239 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000385252204 799424867 /nfs/dbraw/zinc/42/48/67/799424867.db2.gz NBZZLGRNRKLUGK-AWEZNQCLSA-N 2 1 260.425 3.025 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000385252204 799424871 /nfs/dbraw/zinc/42/48/71/799424871.db2.gz NBZZLGRNRKLUGK-AWEZNQCLSA-N 2 1 260.425 3.025 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)ccc2c1 ZINC000387250880 799444348 /nfs/dbraw/zinc/44/43/48/799444348.db2.gz LYLMKVFEEFGCSW-HOCLYGCPSA-N 2 1 298.430 3.408 20 0 CGADMP CCOc1cc[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001163365218 806749101 /nfs/dbraw/zinc/74/91/01/806749101.db2.gz YOJIAFJLQNLVBO-DZGCQCFKSA-N 2 1 277.412 3.011 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)[C@H](C)C1 ZINC001163365656 806749551 /nfs/dbraw/zinc/74/95/51/806749551.db2.gz LSBZCQFJEACGBB-CZUORRHYSA-N 2 1 273.424 3.490 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)[C@H](C)C1 ZINC001163365656 806749553 /nfs/dbraw/zinc/74/95/53/806749553.db2.gz LSBZCQFJEACGBB-CZUORRHYSA-N 2 1 273.424 3.490 20 0 CGADMP C[C@]1([NH3+])CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000405834278 799587653 /nfs/dbraw/zinc/58/76/53/799587653.db2.gz UTRRBHLJDUBRKG-IBGZPJMESA-N 2 1 280.415 3.242 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000435870493 799611415 /nfs/dbraw/zinc/61/14/15/799611415.db2.gz NUGDNVVWPGHSAY-UHFFFAOYSA-N 2 1 260.425 3.431 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC001255841558 806764216 /nfs/dbraw/zinc/76/42/16/806764216.db2.gz JIDXSRZIUBHWKS-RKVPGOIHSA-N 2 1 292.442 3.465 20 0 CGADMP CCC(C)(C)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687951970 799741134 /nfs/dbraw/zinc/74/11/34/799741134.db2.gz VJIBMMDTQXWAPS-UHFFFAOYSA-N 2 1 252.427 3.014 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687969384 799743652 /nfs/dbraw/zinc/74/36/52/799743652.db2.gz SSKAPWNLIMAMBJ-NWDGAFQWSA-N 2 1 264.438 3.014 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000693458589 799810083 /nfs/dbraw/zinc/81/00/83/799810083.db2.gz KANZLGVZQAATFQ-RHSMWYFYSA-N 2 1 276.424 3.035 20 0 CGADMP C[N@@H+](CC1CCCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699262566 799859033 /nfs/dbraw/zinc/85/90/33/799859033.db2.gz DPNQUZATDRLEMK-MQVJKMGUSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001255947076 806792590 /nfs/dbraw/zinc/79/25/90/806792590.db2.gz NKFPLTVRAQUEFV-ZDUSSCGKSA-N 2 1 283.847 3.253 20 0 CGADMP CCCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708544220 799991054 /nfs/dbraw/zinc/99/10/54/799991054.db2.gz PINGJNNTRNPLIL-DOTOQJQBSA-N 2 1 260.425 3.144 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC001255947808 806793999 /nfs/dbraw/zinc/79/39/99/806793999.db2.gz WXHVFODOYTUXSK-HOCLYGCPSA-N 2 1 275.440 3.169 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000709490613 800009152 /nfs/dbraw/zinc/00/91/52/800009152.db2.gz JLNPXUNGCDCLOC-FCLJQHQZSA-N 2 1 256.393 3.107 20 0 CGADMP CCOc1cc(C[NH2+][C@H](C)CC[NH+](CC)CC)ccc1O ZINC001255952545 806795858 /nfs/dbraw/zinc/79/58/58/806795858.db2.gz UTJPWANNPMZSJS-CQSZACIVSA-N 2 1 294.439 3.001 20 0 CGADMP NCc1nc2c(s1)CCN(CCCC1CCCCC1)C2 ZINC000710291888 800032021 /nfs/dbraw/zinc/03/20/21/800032021.db2.gz JNMHTPWEQCOLNQ-UHFFFAOYSA-N 2 1 293.480 3.320 20 0 CGADMP COc1ccc(C[C@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710841771 800039911 /nfs/dbraw/zinc/03/99/11/800039911.db2.gz JAQQJDLBPTXVIY-HNNXBMFYSA-N 2 1 278.440 3.077 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCCc2ccncc21 ZINC001255955602 806798236 /nfs/dbraw/zinc/79/82/36/806798236.db2.gz VDEWRMPVLOZCFN-WMLDXEAASA-N 2 1 275.440 3.169 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001255963769 806802761 /nfs/dbraw/zinc/80/27/61/806802761.db2.gz KFFZNKQDBPFMND-GFCCVEGCSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000714316157 800118741 /nfs/dbraw/zinc/11/87/41/800118741.db2.gz QIOUKYVYZHILSV-BHYGNILZSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000715511682 800137137 /nfs/dbraw/zinc/13/71/37/800137137.db2.gz XFUCBGVMXIEFAT-KGLIPLIRSA-N 2 1 281.831 3.006 20 0 CGADMP Cc1c[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000716299048 800167215 /nfs/dbraw/zinc/16/72/15/800167215.db2.gz PTIVUDRKQREWHP-UHFFFAOYSA-N 2 1 281.403 3.242 20 0 CGADMP CC(C)(Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066846 806809354 /nfs/dbraw/zinc/80/93/54/806809354.db2.gz UJNFKYZCKXRQNX-UHFFFAOYSA-N 2 1 290.426 3.363 20 0 CGADMP c1ccc([C@@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256072918 806810796 /nfs/dbraw/zinc/81/07/96/806810796.db2.gz IIZAAYLGVVWJBG-MRXNPFEDSA-N 2 1 270.420 3.103 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256072918 806810804 /nfs/dbraw/zinc/81/08/04/806810804.db2.gz IIZAAYLGVVWJBG-MRXNPFEDSA-N 2 1 270.420 3.103 20 0 CGADMP Fc1ccc([C@@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080524 806813915 /nfs/dbraw/zinc/81/39/15/806813915.db2.gz YPEUMSDLTASXLE-OAHLLOKOSA-N 2 1 288.410 3.242 20 0 CGADMP Fc1ccc([C@@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256080524 806813919 /nfs/dbraw/zinc/81/39/19/806813919.db2.gz YPEUMSDLTASXLE-OAHLLOKOSA-N 2 1 288.410 3.242 20 0 CGADMP CC(F)(F)CCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000718597995 800218829 /nfs/dbraw/zinc/21/88/29/800218829.db2.gz CTMHTQYVAHBBCC-UHFFFAOYSA-N 2 1 270.367 3.273 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000720870515 800269593 /nfs/dbraw/zinc/26/95/93/800269593.db2.gz IYVWMIBWQDSMSL-YUTCNCBUSA-N 2 1 286.341 3.125 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000723701425 800337647 /nfs/dbraw/zinc/33/76/47/800337647.db2.gz CGSODZDBGWCCDN-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@@H](C)Cc2cccc(OC)c2)CC1 ZINC001256169459 806841535 /nfs/dbraw/zinc/84/15/35/806841535.db2.gz KBFYHJRWGBNNHL-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)Cc2cccc(OC)c2)CC1 ZINC001256169459 806841536 /nfs/dbraw/zinc/84/15/36/806841536.db2.gz KBFYHJRWGBNNHL-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH+]1CCC([NH2+]CCC2CCCCCCC2)CC1 ZINC001256196799 806847389 /nfs/dbraw/zinc/84/73/89/806847389.db2.gz WVQYBELTNZMPCE-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925209178 800628830 /nfs/dbraw/zinc/62/88/30/800628830.db2.gz WIERZAFPNOUAAF-UHFFFAOYSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1cc[nH+]c(C)c1NCc1cccc(C[NH+](C)C)c1 ZINC001163994998 806870830 /nfs/dbraw/zinc/87/08/30/806870830.db2.gz YVRJIOYSSVVOPM-UHFFFAOYSA-N 2 1 269.392 3.372 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2ccccn2)CC1 ZINC001256417670 806890498 /nfs/dbraw/zinc/89/04/98/806890498.db2.gz XCCOTOQMNFCNOD-INIZCTEOSA-N 2 1 289.467 3.065 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC001256561532 806916931 /nfs/dbraw/zinc/91/69/31/806916931.db2.gz JSXZFNOCLGJFCV-INIZCTEOSA-N 2 1 295.515 3.103 20 0 CGADMP C[C@@H]1C[N@@H+](C2CC[NH+](C(C)(C)C)CC2)CCC1(F)F ZINC001256569694 806920171 /nfs/dbraw/zinc/92/01/71/806920171.db2.gz NPGKUXZDHBMDDR-GFCCVEGCSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[N@H+](C2CC[NH+](C(C)(C)C)CC2)CCC1(F)F ZINC001256569694 806920172 /nfs/dbraw/zinc/92/01/72/806920172.db2.gz NPGKUXZDHBMDDR-GFCCVEGCSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@]1(C[NH3+])CCCN(c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001164250523 806923524 /nfs/dbraw/zinc/92/35/24/806923524.db2.gz QFASJQYQOGSTBQ-SFHVURJKSA-N 2 1 298.434 3.007 20 0 CGADMP c1cc(N2CCC3(CCCC[NH2+]3)CC2)[nH+]c2c1CCCC2 ZINC001165245884 806979512 /nfs/dbraw/zinc/97/95/12/806979512.db2.gz BHXCHKGKSCHDRK-UHFFFAOYSA-N 2 1 285.435 3.073 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC001118018319 802519015 /nfs/dbraw/zinc/51/90/15/802519015.db2.gz GKZFTMVBAVWSJX-HNNXBMFYSA-N 2 1 298.430 3.450 20 0 CGADMP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1cc(C)ccc1OC ZINC001118057706 802520866 /nfs/dbraw/zinc/52/08/66/802520866.db2.gz GIPNTVGMERDLLE-ZFWWWQNUSA-N 2 1 264.413 3.042 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC001118121925 802527198 /nfs/dbraw/zinc/52/71/98/802527198.db2.gz KYOQZCABBTZIMR-JBLDHEPKSA-N 2 1 270.467 3.261 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118263871 802543011 /nfs/dbraw/zinc/54/30/11/802543011.db2.gz OEXIYFHEZMLMDM-UHFFFAOYSA-N 2 1 290.426 3.224 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCCC(F)(F)F)C1 ZINC001120020616 802726283 /nfs/dbraw/zinc/72/62/83/802726283.db2.gz OBHUZENVXWPKLA-ZDUSSCGKSA-N 2 1 280.378 3.431 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1 ZINC001120860512 802787883 /nfs/dbraw/zinc/78/78/83/802787883.db2.gz NFSUBNGCVUSEAI-INIZCTEOSA-N 2 1 295.430 3.490 20 0 CGADMP CC(C)(C)C(=[NH2+])N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895822 807001079 /nfs/dbraw/zinc/00/10/79/807001079.db2.gz YKQIVEDWOBZJKZ-LBPRGKRZSA-N 2 1 251.418 3.006 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900498 807002716 /nfs/dbraw/zinc/00/27/16/807002716.db2.gz NQOVSVPDBQCIMX-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900498 807002726 /nfs/dbraw/zinc/00/27/26/807002726.db2.gz NQOVSVPDBQCIMX-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP [NH3+]CCc1ccc(N[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256898405 807002742 /nfs/dbraw/zinc/00/27/42/807002742.db2.gz LFAQHBZHWUGYKO-KRWDZBQOSA-N 2 1 287.451 3.007 20 0 CGADMP [NH3+]Cc1cccc2c1cnn2[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256902215 807004900 /nfs/dbraw/zinc/00/49/00/807004900.db2.gz RFMGYTTVIIWYNT-MRXNPFEDSA-N 2 1 298.434 3.075 20 0 CGADMP CC1(C)CC([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904964 807006877 /nfs/dbraw/zinc/00/68/77/807006877.db2.gz PLWDRKTYOLWSHD-ZDUSSCGKSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CC([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904964 807006884 /nfs/dbraw/zinc/00/68/84/807006884.db2.gz PLWDRKTYOLWSHD-ZDUSSCGKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(C)(C)C ZINC001206809598 813443828 /nfs/dbraw/zinc/44/38/28/813443828.db2.gz LYPDGWDHWUJAIC-LSDHHAIUSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@@H](C)C(F)(F)F)CC1 ZINC001208894094 813885276 /nfs/dbraw/zinc/88/52/76/813885276.db2.gz OTLNLLLQNMVLRQ-GFCCVEGCSA-N 2 1 280.378 3.237 20 0 CGADMP C[NH2+]Cc1cccc(-c2ccc3c(c2)C[N@H+](C)CC3)c1F ZINC001244862330 803553643 /nfs/dbraw/zinc/55/36/43/803553643.db2.gz DAQBUWANYTWBFG-UHFFFAOYSA-N 2 1 284.378 3.200 20 0 CGADMP COc1ccc(F)c(CN(C(C)C)C2CC[NH+](C)CC2)c1 ZINC001137997901 803816836 /nfs/dbraw/zinc/81/68/36/803816836.db2.gz IVKUJCOZVZUYBT-UHFFFAOYSA-N 2 1 294.414 3.139 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[N@H+](CCC)C[C@H]3C2)s1 ZINC001138528256 803962126 /nfs/dbraw/zinc/96/21/26/803962126.db2.gz QUTICEWJAJKVLY-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC)C[C@H]3C2)s1 ZINC001138528256 803962131 /nfs/dbraw/zinc/96/21/31/803962131.db2.gz QUTICEWJAJKVLY-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)s1 ZINC001138528256 803962138 /nfs/dbraw/zinc/96/21/38/803962138.db2.gz QUTICEWJAJKVLY-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC)C[C@H]3C2)s1 ZINC001138528256 803962143 /nfs/dbraw/zinc/96/21/43/803962143.db2.gz QUTICEWJAJKVLY-GASCZTMLSA-N 2 1 292.492 3.474 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1 ZINC001138548540 803963519 /nfs/dbraw/zinc/96/35/19/803963519.db2.gz HLRHWLTURDYWFZ-GOSISDBHSA-N 2 1 299.418 3.180 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1 ZINC001138548540 803963523 /nfs/dbraw/zinc/96/35/23/803963523.db2.gz HLRHWLTURDYWFZ-GOSISDBHSA-N 2 1 299.418 3.180 20 0 CGADMP C[N@H+]1CC[C@H](c2ccc(-c3ccc4c[nH+]cn4c3)cc2)C1 ZINC001245899298 804029251 /nfs/dbraw/zinc/02/92/51/804029251.db2.gz DUZOJIFUEHFJFJ-KRWDZBQOSA-N 2 1 277.371 3.420 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246073465 804112474 /nfs/dbraw/zinc/11/24/74/804112474.db2.gz YMUIDMYVGRHQHT-QAPCUYQASA-N 2 1 280.415 3.159 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246115275 804146725 /nfs/dbraw/zinc/14/67/25/804146725.db2.gz RIUKJGPMCOEARF-GJZGRUSLSA-N 2 1 256.409 3.193 20 0 CGADMP CCn1ccc2ccc(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)cc21 ZINC001139120345 804132643 /nfs/dbraw/zinc/13/26/43/804132643.db2.gz QGKHCVJPGDMKFZ-IEBWSBKVSA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)cc21 ZINC001139120345 804132645 /nfs/dbraw/zinc/13/26/45/804132645.db2.gz QGKHCVJPGDMKFZ-IEBWSBKVSA-N 2 1 297.446 3.045 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246116964 804147507 /nfs/dbraw/zinc/14/75/07/804147507.db2.gz XZHHONGYNWKHQJ-GPANFISMSA-N 2 1 270.436 3.273 20 0 CGADMP CCCCCC[C@@H](CC)[NH2+][C@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246122854 804152820 /nfs/dbraw/zinc/15/28/20/804152820.db2.gz BTJFTPOUDZZJJQ-WBVHZDCISA-N 2 1 298.471 3.010 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(ccn2C)c1 ZINC001139193116 804155978 /nfs/dbraw/zinc/15/59/78/804155978.db2.gz XKUDWOBROGKZKJ-UHFFFAOYSA-N 2 1 287.451 3.342 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CC[NH2+]C1 ZINC001246150287 804169301 /nfs/dbraw/zinc/16/93/01/804169301.db2.gz VWDSRYSUAYPAKS-IAGOWNOFSA-N 2 1 278.415 3.079 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2c(Cl)cccc2Cl)CN1 ZINC001246161448 804177091 /nfs/dbraw/zinc/17/70/91/804177091.db2.gz YMCFSGVDDSNOSD-QWRGUYRKSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2c(Cl)cccc2Cl)C[NH2+]1 ZINC001246161448 804177094 /nfs/dbraw/zinc/17/70/94/804177094.db2.gz YMCFSGVDDSNOSD-QWRGUYRKSA-N 2 1 287.234 3.266 20 0 CGADMP Clc1cccc(CC[NH2+][C@@H]2CCCC[NH2+]C2)c1Cl ZINC001246160640 804177600 /nfs/dbraw/zinc/17/76/00/804177600.db2.gz UMTJUUQUNMTKGA-GFCCVEGCSA-N 2 1 287.234 3.268 20 0 CGADMP CN(C)c1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246168628 804182741 /nfs/dbraw/zinc/18/27/41/804182741.db2.gz YXRSQFBYHXXRGJ-DOTOQJQBSA-N 2 1 289.467 3.009 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)C)C2)cc1Cl ZINC001246171841 804185363 /nfs/dbraw/zinc/18/53/63/804185363.db2.gz FIQUSLMAEMJJBG-UKRRQHHQSA-N 2 1 296.842 3.215 20 0 CGADMP CC[C@H]1CC([N@H+](CCC[NH3+])C2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246175185 804189110 /nfs/dbraw/zinc/18/91/10/804189110.db2.gz HLSGSFXUUYOWPS-HOTGVXAUSA-N 3 1 295.515 3.279 20 0 CGADMP CC[C@H]1CC([N@@H+](CCC[NH3+])C2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246175185 804189113 /nfs/dbraw/zinc/18/91/13/804189113.db2.gz HLSGSFXUUYOWPS-HOTGVXAUSA-N 3 1 295.515 3.279 20 0 CGADMP CCCC1CCC([NH2+]C[C@@]2(F)CCC[NH2+]C2)CC1 ZINC001246174393 804189287 /nfs/dbraw/zinc/18/92/87/804189287.db2.gz KOEHCKJAALIMRM-YMAMQOFZSA-N 2 1 256.409 3.027 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)C[NH2+]1 ZINC001246180413 804194125 /nfs/dbraw/zinc/19/41/25/804194125.db2.gz QYBJOGJRHCQBNQ-WFASDCNBSA-N 2 1 280.843 3.391 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246183858 804195755 /nfs/dbraw/zinc/19/57/55/804195755.db2.gz UWSNPUFHSKUZNX-SOUVJXGZSA-N 2 1 258.425 3.129 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC001246215550 804211579 /nfs/dbraw/zinc/21/15/79/804211579.db2.gz ZAVQXVVSVVOWEP-HOSYDEDBSA-N 2 1 270.779 3.270 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246220396 804215374 /nfs/dbraw/zinc/21/53/74/804215374.db2.gz JRYDAAFYFFUHTO-OLZOCXBDSA-N 2 1 262.388 3.036 20 0 CGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC001246234791 804226571 /nfs/dbraw/zinc/22/65/71/804226571.db2.gz WNZJZFRIGVJNRN-ZDUSSCGKSA-N 2 1 286.410 3.324 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)C[NH2+]1 ZINC001246236321 804228611 /nfs/dbraw/zinc/22/86/11/804228611.db2.gz VXKSNNKKQRMOGC-RDTXWAMCSA-N 2 1 268.404 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246240726 804231558 /nfs/dbraw/zinc/23/15/58/804231558.db2.gz WPZNKTQJIGOBII-RISCZKNCSA-N 2 1 264.800 3.059 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246240725 804232012 /nfs/dbraw/zinc/23/20/12/804232012.db2.gz WPZNKTQJIGOBII-FZMZJTMJSA-N 2 1 264.800 3.059 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC001246256163 804241314 /nfs/dbraw/zinc/24/13/14/804241314.db2.gz NWCXESUZAZITAG-MFKMUULPSA-N 2 1 287.234 3.266 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2Cl)CC[NH2+]1 ZINC001246262037 804244289 /nfs/dbraw/zinc/24/42/89/804244289.db2.gz HGGIEPHMAQMXRT-KBPBESRZSA-N 2 1 266.816 3.269 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246265106 804246009 /nfs/dbraw/zinc/24/60/09/804246009.db2.gz IAVOHHNKCQQPGL-NVXWUHKLSA-N 2 1 262.441 3.361 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H](Cc1ccccc1)CC(C)C ZINC001246270518 804248141 /nfs/dbraw/zinc/24/81/41/804248141.db2.gz OQARTFONWRHSKX-QGZVFWFLSA-N 2 1 262.441 3.233 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[NH2+]1 ZINC001246275576 804250937 /nfs/dbraw/zinc/25/09/37/804250937.db2.gz AMMGOHWCUSUFNF-JLZZUVOBSA-N 2 1 294.389 3.318 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246299438 804266107 /nfs/dbraw/zinc/26/61/07/804266107.db2.gz KJRCBRKIITVHOP-JXFKEZNVSA-N 2 1 296.458 3.340 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[C@H](C)NC1)c1ccc(C)c(C)c1 ZINC001246309800 804271275 /nfs/dbraw/zinc/27/12/75/804271275.db2.gz XUMMTOWFEKCMKN-USXIJHARSA-N 2 1 260.425 3.485 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246317073 804276945 /nfs/dbraw/zinc/27/69/45/804276945.db2.gz KIIYXBWDRJLPFQ-MUJYYYPQSA-N 2 1 294.414 3.233 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246329066 804284197 /nfs/dbraw/zinc/28/41/97/804284197.db2.gz LIMUHHQDMWDTKU-SJORKVTESA-N 2 1 274.452 3.376 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246344899 804296042 /nfs/dbraw/zinc/29/60/42/804296042.db2.gz KTBFOWOYQHWFSQ-FZMZJTMJSA-N 2 1 284.444 3.269 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246346397 804297900 /nfs/dbraw/zinc/29/79/00/804297900.db2.gz ZTGROOPFCCHBRJ-KRWDZBQOSA-N 2 1 260.425 3.084 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246349118 804298896 /nfs/dbraw/zinc/29/88/96/804298896.db2.gz WRNJTROLQYYMGS-RISCZKNCSA-N 2 1 268.832 3.234 20 0 CGADMP CC[C@H]1CC([NH2+][C@@H](COC)c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246356502 804302292 /nfs/dbraw/zinc/30/22/92/804302292.db2.gz SZQFGNXIQYGUEE-BQFCYCMXSA-N 2 1 290.451 3.273 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]C1(c2ccccc2Cl)CCC1 ZINC001246359907 804303294 /nfs/dbraw/zinc/30/32/94/804303294.db2.gz CPZPFEXOLNWNDJ-GFCCVEGCSA-N 2 1 266.816 3.307 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001139883890 804313333 /nfs/dbraw/zinc/31/33/33/804313333.db2.gz MOGWCIWWLHBIRS-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001139883890 804313340 /nfs/dbraw/zinc/31/33/40/804313340.db2.gz MOGWCIWWLHBIRS-UHFFFAOYSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@]1([NH2+][C@@H](C)Cc2cccc(Cl)c2)CC[NH2+]C1 ZINC001246458615 804339666 /nfs/dbraw/zinc/33/96/66/804339666.db2.gz HINLOVAEMWINAB-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246457844 804340516 /nfs/dbraw/zinc/34/05/16/804340516.db2.gz VQBINXFEMUDJEV-IUODEOHRSA-N 2 1 282.428 3.038 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2c3ccccc3-c3ccccc32)C[NH2+]1 ZINC001246472839 804350416 /nfs/dbraw/zinc/35/04/16/804350416.db2.gz ZABBPPHRDLROQC-ZIAGYGMSSA-N 2 1 278.399 3.139 20 0 CGADMP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+]C1CCCCCCC1 ZINC001246479885 804354375 /nfs/dbraw/zinc/35/43/75/804354375.db2.gz ATRLIZLOERJWBK-CYBMUJFWSA-N 2 1 274.399 3.324 20 0 CGADMP CC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCOCC1 ZINC001140028256 804355471 /nfs/dbraw/zinc/35/54/71/804355471.db2.gz PITXQRXCCTWSGA-UHFFFAOYSA-N 2 1 299.418 3.182 20 0 CGADMP CC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCOCC1 ZINC001140028256 804355479 /nfs/dbraw/zinc/35/54/79/804355479.db2.gz PITXQRXCCTWSGA-UHFFFAOYSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001140023810 804356650 /nfs/dbraw/zinc/35/66/50/804356650.db2.gz YLEFIXGKDZVJDM-CQSZACIVSA-N 2 1 269.392 3.413 20 0 CGADMP CCCCCC1CCC([NH2+][C@@H]2C[NH2+]C[C@H]3C[C@H]32)CC1 ZINC001246502217 804364542 /nfs/dbraw/zinc/36/45/42/804364542.db2.gz GNBIGNDHXIAZGP-GLUHHBOGSA-N 2 1 264.457 3.323 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC001246520140 804373214 /nfs/dbraw/zinc/37/32/14/804373214.db2.gz QYWQAMGOJDFBOI-ROUUACIJSA-N 2 1 272.436 3.356 20 0 CGADMP CC[C@H]1CC([N@@H+](C)CCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246519437 804374375 /nfs/dbraw/zinc/37/43/75/804374375.db2.gz OAPYRJMFMRQGPG-IRXDYDNUSA-N 2 1 274.452 3.470 20 0 CGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CCCCC2)CC[NH2+]1 ZINC001246519810 804374659 /nfs/dbraw/zinc/37/46/59/804374659.db2.gz QFIBINBCUSUJAJ-NVXWUHKLSA-N 2 1 276.399 3.413 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246524318 804377867 /nfs/dbraw/zinc/37/78/67/804377867.db2.gz HVTZWCPUPAFSQY-MRXNPFEDSA-N 2 1 276.399 3.180 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246537078 804385047 /nfs/dbraw/zinc/38/50/47/804385047.db2.gz JJNFNZRXATWNLM-UJJTZGENSA-N 2 1 270.420 3.415 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539064 804387403 /nfs/dbraw/zinc/38/74/03/804387403.db2.gz APGJRCKAYKQNCO-GXTWGEPZSA-N 2 1 282.428 3.120 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246538341 804387430 /nfs/dbraw/zinc/38/74/30/804387430.db2.gz BOBHYYGEAUQOFU-SUMWQHHRSA-N 2 1 292.854 3.129 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246545989 804396734 /nfs/dbraw/zinc/39/67/34/804396734.db2.gz DQZVSLZNGQZNNL-YMAMQOFZSA-N 2 1 256.409 3.108 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246547387 804397078 /nfs/dbraw/zinc/39/70/78/804397078.db2.gz HYPQPSOMKBIJNU-HIFRSBDPSA-N 2 1 256.409 3.108 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001246551706 804400050 /nfs/dbraw/zinc/40/00/50/804400050.db2.gz MOYXVVREMRQCRU-BZSNNMDCSA-N 2 1 288.435 3.110 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1C[NH3+] ZINC001246553200 804402602 /nfs/dbraw/zinc/40/26/02/804402602.db2.gz SGDDFYUOLASPOW-NRSFXHEJSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246552643 804402862 /nfs/dbraw/zinc/40/28/62/804402862.db2.gz QTQSEDJOYJVCMX-BZPMIXESSA-N 2 1 298.833 3.327 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246553470 804404143 /nfs/dbraw/zinc/40/41/43/804404143.db2.gz YDGUNDHNBSGCPN-CZUORRHYSA-N 2 1 298.833 3.424 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246555339 804404482 /nfs/dbraw/zinc/40/44/82/804404482.db2.gz DPQRYAPLBUUWEV-YCPHGPKFSA-N 2 1 278.415 3.064 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553588 804404958 /nfs/dbraw/zinc/40/49/58/804404958.db2.gz BNCDQBOWRPDOEV-QWHCGFSZSA-N 2 1 262.388 3.117 20 0 CGADMP C[C@@H]1C[N@H+](C2CC(C)(C)OC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246559588 804408296 /nfs/dbraw/zinc/40/82/96/804408296.db2.gz DCXJNBIXWXJGMG-ZIAGYGMSSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246561914 804409373 /nfs/dbraw/zinc/40/93/73/804409373.db2.gz HEHYAXYKTMCUIP-BPLDGKMQSA-N 2 1 292.854 3.257 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CCCCC3)CC2)C[C@H]1F ZINC001246561813 804409579 /nfs/dbraw/zinc/40/95/79/804409579.db2.gz GLRFQKLPPWJABA-HUUCEWRRSA-N 2 1 268.420 3.251 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CCCCC3)CC2)C[C@H]1F ZINC001246561813 804409583 /nfs/dbraw/zinc/40/95/83/804409583.db2.gz GLRFQKLPPWJABA-HUUCEWRRSA-N 2 1 268.420 3.251 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246561825 804409798 /nfs/dbraw/zinc/40/97/98/804409798.db2.gz XCVBDEFRKCRPEL-IKWCTNDRSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246561825 804409801 /nfs/dbraw/zinc/40/98/01/804409801.db2.gz XCVBDEFRKCRPEL-IKWCTNDRSA-N 2 1 278.362 3.167 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](F)CC2)C[C@H](CC)[NH2+]1 ZINC001246561576 804410159 /nfs/dbraw/zinc/41/01/59/804410159.db2.gz WJXGBYHECFERCG-XQLPTFJDSA-N 2 1 256.409 3.120 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](F)CC2)C[C@H](CC)[NH2+]1 ZINC001246561571 804410361 /nfs/dbraw/zinc/41/03/61/804410361.db2.gz WJXGBYHECFERCG-APIJFGDWSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCCCCCC2)CC[C@@H]1C[NH3+] ZINC001246560726 804410676 /nfs/dbraw/zinc/41/06/76/804410676.db2.gz SGQCVGZDVQVZEB-HUUCEWRRSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC[C@@H]1C[NH3+] ZINC001246562744 804412133 /nfs/dbraw/zinc/41/21/33/804412133.db2.gz WISWZGJDBGTMPJ-YIYPIFLZSA-N 2 1 292.389 3.414 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001246565781 804413990 /nfs/dbraw/zinc/41/39/90/804413990.db2.gz PUAYTLPKPVEUAQ-XYJFISCASA-N 2 1 274.452 3.375 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246563780 804414285 /nfs/dbraw/zinc/41/42/85/804414285.db2.gz SSGJGSVSUFBLMX-INIZCTEOSA-N 2 1 276.399 3.180 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246568085 804415289 /nfs/dbraw/zinc/41/52/89/804415289.db2.gz PUWIADWEFOJGSY-BYNSBNAKSA-N 2 1 256.409 3.120 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246571436 804418671 /nfs/dbraw/zinc/41/86/71/804418671.db2.gz SBFIPXKFCZZGCF-KFWWJZLASA-N 2 1 258.425 3.353 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246571436 804418674 /nfs/dbraw/zinc/41/86/74/804418674.db2.gz SBFIPXKFCZZGCF-KFWWJZLASA-N 2 1 258.425 3.353 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573474 804421121 /nfs/dbraw/zinc/42/11/21/804421121.db2.gz CVQADSRFIQOQFM-TZMCWYRMSA-N 2 1 276.465 3.060 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573474 804421124 /nfs/dbraw/zinc/42/11/24/804421124.db2.gz CVQADSRFIQOQFM-TZMCWYRMSA-N 2 1 276.465 3.060 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001246572054 804418743 /nfs/dbraw/zinc/41/87/43/804418743.db2.gz CWMAXFJNFYEJTE-DOTOQJQBSA-N 2 1 290.476 3.154 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC[C@H]1C[NH3+] ZINC001246571722 804418751 /nfs/dbraw/zinc/41/87/51/804418751.db2.gz WVZUDPTWNWUHFC-XJFOESAGSA-N 2 1 292.389 3.414 20 0 CGADMP CC1(C)CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246571903 804418936 /nfs/dbraw/zinc/41/89/36/804418936.db2.gz BTWQHWIMTKRBAC-MRXNPFEDSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1C ZINC001246571292 804418963 /nfs/dbraw/zinc/41/89/63/804418963.db2.gz IIHRSRFQHOBQCP-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246573988 804420366 /nfs/dbraw/zinc/42/03/66/804420366.db2.gz HHGHMZLYPWCYCY-PBHICJAKSA-N 2 1 292.854 3.258 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001246573515 804420969 /nfs/dbraw/zinc/42/09/69/804420969.db2.gz ROYCGZPOYPJKIG-YYIAUSFCSA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246578826 804424182 /nfs/dbraw/zinc/42/41/82/804424182.db2.gz CARRMICEKFYXQR-GJZGRUSLSA-N 2 1 258.425 3.208 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246578826 804424186 /nfs/dbraw/zinc/42/41/86/804424186.db2.gz CARRMICEKFYXQR-GJZGRUSLSA-N 2 1 258.425 3.208 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246578811 804424264 /nfs/dbraw/zinc/42/42/64/804424264.db2.gz CJRUUPPBIRRPQT-GOEBONIOSA-N 2 1 252.446 3.406 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246579577 804424696 /nfs/dbraw/zinc/42/46/96/804424696.db2.gz CGCNIZZDTFKIGD-HIFRSBDPSA-N 2 1 292.854 3.258 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001246579964 804424900 /nfs/dbraw/zinc/42/49/00/804424900.db2.gz DOQCCFQSEZRVNQ-YJBOKZPZSA-N 2 1 274.452 3.241 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246580537 804425719 /nfs/dbraw/zinc/42/57/19/804425719.db2.gz WZDRYEFKQGLCLA-WMLDXEAASA-N 2 1 278.415 3.208 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246585465 804429583 /nfs/dbraw/zinc/42/95/83/804429583.db2.gz KYIROCUKMJWMBM-AJNGGQMLSA-N 2 1 258.425 3.208 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246585465 804429586 /nfs/dbraw/zinc/42/95/86/804429586.db2.gz KYIROCUKMJWMBM-AJNGGQMLSA-N 2 1 258.425 3.208 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246589750 804432359 /nfs/dbraw/zinc/43/23/59/804432359.db2.gz FMKFCMJPKPWYPB-YJBOKZPZSA-N 2 1 290.426 3.134 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246596107 804437496 /nfs/dbraw/zinc/43/74/96/804437496.db2.gz ZFBMAWSTSRUKOD-WUCCLRPBSA-N 2 1 270.436 3.353 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246596107 804437504 /nfs/dbraw/zinc/43/75/04/804437504.db2.gz ZFBMAWSTSRUKOD-WUCCLRPBSA-N 2 1 270.436 3.353 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246607243 804441230 /nfs/dbraw/zinc/44/12/30/804441230.db2.gz CMYDCZLUISFJAD-VMBOVVBDSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246607243 804441232 /nfs/dbraw/zinc/44/12/32/804441232.db2.gz CMYDCZLUISFJAD-VMBOVVBDSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246606810 804441884 /nfs/dbraw/zinc/44/18/84/804441884.db2.gz BXUJUPNVSXJARF-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246607253 804442034 /nfs/dbraw/zinc/44/20/34/804442034.db2.gz CUSDLKQVOVFNMB-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP C1CC2(CCCCC2)[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246613509 804447108 /nfs/dbraw/zinc/44/71/08/804447108.db2.gz KTTROLSXBPBFHG-OAHLLOKOSA-N 2 1 262.441 3.317 20 0 CGADMP C1CC2(CCCCC2)[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246617078 804451628 /nfs/dbraw/zinc/45/16/28/804451628.db2.gz XMYKQPFNWHVYTN-UHFFFAOYSA-N 2 1 262.441 3.317 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246618427 804452500 /nfs/dbraw/zinc/45/25/00/804452500.db2.gz FNBGNILBCIRMAK-HIFRSBDPSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C[C@H]1C ZINC001246619846 804454243 /nfs/dbraw/zinc/45/42/43/804454243.db2.gz IVJXHBPZVXLXMN-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246621637 804455162 /nfs/dbraw/zinc/45/51/62/804455162.db2.gz FPIAFPCQTNYTJL-HNNXBMFYSA-N 2 1 250.430 3.339 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246621800 804456204 /nfs/dbraw/zinc/45/62/04/804456204.db2.gz QAISVIRDMSQMET-IAGOWNOFSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246626187 804457176 /nfs/dbraw/zinc/45/71/76/804457176.db2.gz HFYROMJBOCFLIB-BMFZPTHFSA-N 2 1 292.854 3.202 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624269 804457321 /nfs/dbraw/zinc/45/73/21/804457321.db2.gz ONASVWNWANAWFC-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246626463 804457376 /nfs/dbraw/zinc/45/73/76/804457376.db2.gz UNBFAOKONFXNOX-GBESFXJTSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631006 804460973 /nfs/dbraw/zinc/46/09/73/804460973.db2.gz NLMXNOZJDGOZMF-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246629703 804461105 /nfs/dbraw/zinc/46/11/05/804461105.db2.gz HHYSBLJPTOHVCY-SJORKVTESA-N 2 1 270.420 3.008 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246632991 804463625 /nfs/dbraw/zinc/46/36/25/804463625.db2.gz CVRPUXIZANZPTP-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246632991 804463629 /nfs/dbraw/zinc/46/36/29/804463629.db2.gz CVRPUXIZANZPTP-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246632906 804463844 /nfs/dbraw/zinc/46/38/44/804463844.db2.gz XNEKDXRRNROLHA-BZSNNMDCSA-N 2 1 272.436 3.080 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246632906 804463845 /nfs/dbraw/zinc/46/38/45/804463845.db2.gz XNEKDXRRNROLHA-BZSNNMDCSA-N 2 1 272.436 3.080 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246639315 804468030 /nfs/dbraw/zinc/46/80/30/804468030.db2.gz QIASPBYYKZKVDE-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H]1C[C@H]([NH+]2CCC3(CC3)CC2)CC[NH2+]1 ZINC001246642155 804469236 /nfs/dbraw/zinc/46/92/36/804469236.db2.gz KUDXSZGYCRHXNR-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCCC23CC[NH2+]CC3)CC(C)(C)C1 ZINC001246643917 804470285 /nfs/dbraw/zinc/47/02/85/804470285.db2.gz HXIAQFAIFJTRPQ-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643946 804470983 /nfs/dbraw/zinc/47/09/83/804470983.db2.gz OMGRCBKZGMKGRN-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643946 804470990 /nfs/dbraw/zinc/47/09/90/804470990.db2.gz OMGRCBKZGMKGRN-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246644619 804471891 /nfs/dbraw/zinc/47/18/91/804471891.db2.gz RQFIGOUERITJIA-HLLBOEOZSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246654801 804480205 /nfs/dbraw/zinc/48/02/05/804480205.db2.gz XAMZIPXHWLLEJN-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246654801 804480209 /nfs/dbraw/zinc/48/02/09/804480209.db2.gz XAMZIPXHWLLEJN-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660616 804483754 /nfs/dbraw/zinc/48/37/54/804483754.db2.gz WCYOYHMTUGYRQN-QRVBRYPASA-N 2 1 286.463 3.328 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660462 804484275 /nfs/dbraw/zinc/48/42/75/804484275.db2.gz UGRKFDSBGJDEFN-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660462 804484278 /nfs/dbraw/zinc/48/42/78/804484278.db2.gz UGRKFDSBGJDEFN-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246666206 804486560 /nfs/dbraw/zinc/48/65/60/804486560.db2.gz ICQIENJXDNMXRT-QRVBRYPASA-N 2 1 286.463 3.329 20 0 CGADMP CCCCCC[C@H](CCCC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665965 804487141 /nfs/dbraw/zinc/48/71/41/804487141.db2.gz VMROXUMCHYXIES-JONQDZQNSA-N 2 1 252.446 3.405 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001246667708 804488331 /nfs/dbraw/zinc/48/83/31/804488331.db2.gz UFQIKLURHWGJBU-CKEIUWERSA-N 2 1 290.838 3.011 20 0 CGADMP C1[NH2+]C[C@H]2CC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]12 ZINC001246666419 804488650 /nfs/dbraw/zinc/48/86/50/804488650.db2.gz JLDPYCVRIYPRLS-ZACQAIPSSA-N 2 1 276.468 3.421 20 0 CGADMP C1[NH2+]C[C@H]2CC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]12 ZINC001246666419 804488653 /nfs/dbraw/zinc/48/86/53/804488653.db2.gz JLDPYCVRIYPRLS-ZACQAIPSSA-N 2 1 276.468 3.421 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246670952 804489419 /nfs/dbraw/zinc/48/94/19/804489419.db2.gz GMXSIZQLFXYLQA-SLTXQBBLSA-N 2 1 264.457 3.275 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246675666 804490589 /nfs/dbraw/zinc/49/05/89/804490589.db2.gz QOWNTMSTFYYKJV-KZNAEPCWSA-N 2 1 272.436 3.082 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246674947 804490646 /nfs/dbraw/zinc/49/06/46/804490646.db2.gz PFSAOGUALCMLOX-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CC)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677340 804491861 /nfs/dbraw/zinc/49/18/61/804491861.db2.gz HVRQMYKYLHBVSF-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP C1CC12CCC([N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CC2 ZINC001246679458 804494510 /nfs/dbraw/zinc/49/45/10/804494510.db2.gz XSNOKRRXDGTZKY-HZPDHXFCSA-N 2 1 276.468 3.421 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246688715 804497360 /nfs/dbraw/zinc/49/73/60/804497360.db2.gz HIAIOMDKRRJFCH-HRCADAONSA-N 2 1 270.436 3.369 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246745762 804501462 /nfs/dbraw/zinc/50/14/62/804501462.db2.gz GDYMGYNPYVBPOB-SJLPKXTDSA-N 2 1 298.474 3.415 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246773667 804504727 /nfs/dbraw/zinc/50/47/27/804504727.db2.gz BDMMAVOJWVSGMF-STQMWFEESA-N 2 1 298.883 3.491 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246779939 804507649 /nfs/dbraw/zinc/50/76/49/804507649.db2.gz JPLOPUYHTKLCNO-KPEUIFRASA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779676 804508716 /nfs/dbraw/zinc/50/87/16/804508716.db2.gz SWXKUPJMZYJPMQ-KZNAEPCWSA-N 2 1 272.436 3.397 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CCCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246789692 804513535 /nfs/dbraw/zinc/51/35/35/804513535.db2.gz FEAKJLKUBHZHAF-UHFFFAOYSA-N 2 1 298.474 3.473 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)[C@@H]1C ZINC001246792444 804515428 /nfs/dbraw/zinc/51/54/28/804515428.db2.gz WATYCRATWGEXOZ-WXLSXGNJSA-N 2 1 250.430 3.029 20 0 CGADMP Fc1cccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246793963 804518160 /nfs/dbraw/zinc/51/81/60/804518160.db2.gz FMQSVEWTJVIUTA-FCLJQHQZSA-N 2 1 274.383 3.246 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246798759 804519760 /nfs/dbraw/zinc/51/97/60/804519760.db2.gz RQLJKDYVTQPOJO-CZUORRHYSA-N 2 1 276.399 3.493 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246799210 804520859 /nfs/dbraw/zinc/52/08/59/804520859.db2.gz WNGYGJVECIIPJG-IRXDYDNUSA-N 2 1 260.425 3.069 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246799211 804521206 /nfs/dbraw/zinc/52/12/06/804521206.db2.gz WNGYGJVECIIPJG-SJORKVTESA-N 2 1 260.425 3.069 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001246810144 804526257 /nfs/dbraw/zinc/52/62/57/804526257.db2.gz YGNYVILPJHDWTQ-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001246811956 804529266 /nfs/dbraw/zinc/52/92/66/804529266.db2.gz AYAWNKOGCOVZOK-KRWDZBQOSA-N 2 1 272.436 3.144 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246819610 804534265 /nfs/dbraw/zinc/53/42/65/804534265.db2.gz DKOUBQYYFVBSIY-CQSZACIVSA-N 2 1 280.843 3.345 20 0 CGADMP C1C[C@@H]2[C@@H](C1)CCC[N@@H+]2C1CCC2(CC[NH2+]C2)CC1 ZINC001246822257 804534791 /nfs/dbraw/zinc/53/47/91/804534791.db2.gz WODXZTXDCWCSFS-ORBLRFAASA-N 2 1 262.441 3.173 20 0 CGADMP C1C[C@H]2CCC[N@H+](C3CCC4(CC[NH2+]C4)CC3)[C@H]2C1 ZINC001246822258 804535345 /nfs/dbraw/zinc/53/53/45/804535345.db2.gz WODXZTXDCWCSFS-SOEBMCCKSA-N 2 1 262.441 3.173 20 0 CGADMP C1CC2(C[C@H]1[N@@H+]1C[C@@H]3CCC[C@@H](C3)C1)CC[NH2+]CC2 ZINC001246830783 804540402 /nfs/dbraw/zinc/54/04/02/804540402.db2.gz IDZMLNWXXAVPHY-XHSDSOJGSA-N 2 1 262.441 3.031 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839918 804548394 /nfs/dbraw/zinc/54/83/94/804548394.db2.gz LIHYZLZUFVKXKW-IAGOWNOFSA-N 2 1 278.415 3.424 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246839689 804548794 /nfs/dbraw/zinc/54/87/94/804548794.db2.gz DNFIOJYKAPEHOD-QWHCGFSZSA-N 2 1 298.833 3.342 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246842191 804549779 /nfs/dbraw/zinc/54/97/79/804549779.db2.gz XBUXWVIZKASQQQ-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246844203 804552458 /nfs/dbraw/zinc/55/24/58/804552458.db2.gz XVARZRKIJPIHQA-NPJQDHAYSA-N 2 1 252.446 3.116 20 0 CGADMP CC[N@H+](Cc1ccccc1F)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246845979 804553964 /nfs/dbraw/zinc/55/39/64/804553964.db2.gz MLUUTYXOESKPNO-CHWSQXEVSA-N 2 1 264.388 3.177 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246845979 804553967 /nfs/dbraw/zinc/55/39/67/804553967.db2.gz MLUUTYXOESKPNO-CHWSQXEVSA-N 2 1 264.388 3.177 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001246844585 804554464 /nfs/dbraw/zinc/55/44/64/804554464.db2.gz ZJQYUJFPYIZOQI-QAPCUYQASA-N 2 1 274.452 3.111 20 0 CGADMP C[N@@H+](CC1CCCCC1)C1CCC2(C[NH2+]C2)CC1 ZINC001246846295 804556400 /nfs/dbraw/zinc/55/64/00/804556400.db2.gz NYYCPCKQKLPGQS-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001246847086 804556920 /nfs/dbraw/zinc/55/69/20/804556920.db2.gz IMZILRSWRSQTGY-UHFFFAOYSA-N 2 1 278.827 3.229 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246849331 804560556 /nfs/dbraw/zinc/56/05/56/804560556.db2.gz ZRFLEKQFVOYWLT-ARFHVFGLSA-N 2 1 252.446 3.133 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246851666 804561375 /nfs/dbraw/zinc/56/13/75/804561375.db2.gz ZQQLCYHOTSIWSP-IXEWLPCDSA-N 2 1 286.419 3.115 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246852634 804562555 /nfs/dbraw/zinc/56/25/55/804562555.db2.gz FAKLESJAKGKWTD-WMZOPIPTSA-N 2 1 290.426 3.222 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001246854699 804564169 /nfs/dbraw/zinc/56/41/69/804564169.db2.gz QQHNXBZYYIWFMC-WMLDXEAASA-N 2 1 262.441 3.303 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246869093 804571830 /nfs/dbraw/zinc/57/18/30/804571830.db2.gz DQBKXDJAXGIFLN-MSOLQXFVSA-N 2 1 295.515 3.090 20 0 CGADMP CC(C)CC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246878338 804576167 /nfs/dbraw/zinc/57/61/67/804576167.db2.gz KQEZPLREIZVHRS-QRQLOZEOSA-N 2 1 286.463 3.284 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880165 804576311 /nfs/dbraw/zinc/57/63/11/804576311.db2.gz HQNCGYKSSFYJBA-DLBZAZTESA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880165 804576317 /nfs/dbraw/zinc/57/63/17/804576317.db2.gz HQNCGYKSSFYJBA-DLBZAZTESA-N 2 1 290.426 3.351 20 0 CGADMP CCCC[C@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882566 804577712 /nfs/dbraw/zinc/57/77/12/804577712.db2.gz YWZCMHJDKXIYGA-QYZOEREBSA-N 2 1 286.463 3.428 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C)CCCC[NH3+] ZINC001246890012 804582789 /nfs/dbraw/zinc/58/27/89/804582789.db2.gz HQTPQFILYYVYGN-LBPRGKRZSA-N 2 1 286.872 3.491 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC001246909237 804593344 /nfs/dbraw/zinc/59/33/44/804593344.db2.gz OEHVQSOGSXEPGW-QGZVFWFLSA-N 2 1 272.436 3.410 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246911854 804594694 /nfs/dbraw/zinc/59/46/94/804594694.db2.gz WWAFLPUTGHWMIN-QGZVFWFLSA-N 2 1 272.436 3.267 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246914655 804595998 /nfs/dbraw/zinc/59/59/98/804595998.db2.gz ZOUMIGMAFNETJE-SJORKVTESA-N 2 1 292.442 3.467 20 0 CGADMP CC(C)C1CCC([N@@H+](C)C2(C)CC[NH2+]CC2)CC1 ZINC001246912645 804596017 /nfs/dbraw/zinc/59/60/17/804596017.db2.gz UXYODTUZTGOIJO-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246917726 804598331 /nfs/dbraw/zinc/59/83/31/804598331.db2.gz SMBIXBWNCUTSCM-FZKCQIBNSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1c(F)cccc1Cl ZINC001246934408 804607322 /nfs/dbraw/zinc/60/73/22/804607322.db2.gz DVRBJJVSTSRXJC-CHWSQXEVSA-N 2 1 298.833 3.342 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246941383 804610510 /nfs/dbraw/zinc/61/05/10/804610510.db2.gz JSTWSXCNLPNZNV-CGTJXYLNSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCOC[C@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945915 804613506 /nfs/dbraw/zinc/61/35/06/804613506.db2.gz MKZSXQGZQPNQTB-SQNIBIBYSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCOC[C@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945915 804613508 /nfs/dbraw/zinc/61/35/08/804613508.db2.gz MKZSXQGZQPNQTB-SQNIBIBYSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@H](C)[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246953223 804617639 /nfs/dbraw/zinc/61/76/39/804617639.db2.gz ARFSXBYBLZARMG-LBPRGKRZSA-N 2 1 282.378 3.317 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@H]12 ZINC001246978212 804625200 /nfs/dbraw/zinc/62/52/00/804625200.db2.gz VEYIZLATLZMTNE-IEWDOMPSSA-N 2 1 284.447 3.382 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccccc1F ZINC001246977654 804625258 /nfs/dbraw/zinc/62/52/58/804625258.db2.gz SRVGSQCELNNYHK-LSDHHAIUSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC001246977995 804625956 /nfs/dbraw/zinc/62/59/56/804625956.db2.gz GTQXCROGIQCHIM-QRQLOZEOSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001247002632 804635954 /nfs/dbraw/zinc/63/59/54/804635954.db2.gz NOPVKPWKNPVXIF-WMLDXEAASA-N 2 1 292.854 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001247002632 804635957 /nfs/dbraw/zinc/63/59/57/804635957.db2.gz NOPVKPWKNPVXIF-WMLDXEAASA-N 2 1 292.854 3.258 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247001805 804636252 /nfs/dbraw/zinc/63/62/52/804636252.db2.gz LJDYQDOLVZHDKX-CJNGLKHVSA-N 2 1 296.455 3.367 20 0 CGADMP CC1(C)CCC[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012379 804640434 /nfs/dbraw/zinc/64/04/34/804640434.db2.gz DBMXFWXVVMODIP-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012379 804640441 /nfs/dbraw/zinc/64/04/41/804640441.db2.gz DBMXFWXVVMODIP-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247013091 804641745 /nfs/dbraw/zinc/64/17/45/804641745.db2.gz FNKVELMUSZDEPU-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247013091 804641747 /nfs/dbraw/zinc/64/17/47/804641747.db2.gz FNKVELMUSZDEPU-ZFWWWQNUSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247016512 804644512 /nfs/dbraw/zinc/64/45/12/804644512.db2.gz WKLXIOVIEZYCMN-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247016512 804644515 /nfs/dbraw/zinc/64/45/15/804644515.db2.gz WKLXIOVIEZYCMN-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247016522 804645016 /nfs/dbraw/zinc/64/50/16/804645016.db2.gz WUMKDXVUTSOITO-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247016522 804645017 /nfs/dbraw/zinc/64/50/17/804645017.db2.gz WUMKDXVUTSOITO-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016510 804645084 /nfs/dbraw/zinc/64/50/84/804645084.db2.gz WKLXIOVIEZYCMN-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016510 804645087 /nfs/dbraw/zinc/64/50/87/804645087.db2.gz WKLXIOVIEZYCMN-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247016761 804645106 /nfs/dbraw/zinc/64/51/06/804645106.db2.gz XTBJZGUFNSQCCC-MYBQVCMBSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247016761 804645111 /nfs/dbraw/zinc/64/51/11/804645111.db2.gz XTBJZGUFNSQCCC-MYBQVCMBSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001165278521 806985383 /nfs/dbraw/zinc/98/53/83/806985383.db2.gz HIIFEXPVFCAKBC-MAUKXSAKSA-N 2 1 287.451 3.255 20 0 CGADMP Cc1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)ns1 ZINC001249581549 805180292 /nfs/dbraw/zinc/18/02/92/805180292.db2.gz LRCCDBCLYVOQBU-UHFFFAOYSA-N 2 1 293.480 3.005 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cccc(C2CC2)[nH+]1 ZINC001155028604 805526280 /nfs/dbraw/zinc/52/62/80/805526280.db2.gz DGRLGTUBYHEPHR-JSGCOSHPSA-N 2 1 259.397 3.007 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(C(C)(C)C)c[nH+]1 ZINC001155029810 805526666 /nfs/dbraw/zinc/52/66/66/805526666.db2.gz NFWIWUJVBHQYMR-UONOGXRCSA-N 2 1 275.440 3.427 20 0 CGADMP COc1ccc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@@H]3C)c2c1 ZINC001155031523 805527836 /nfs/dbraw/zinc/52/78/36/805527836.db2.gz MIRBADSRMAHQSE-DZGCQCFKSA-N 2 1 299.418 3.291 20 0 CGADMP FC1(F)CCCC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256855171 806992261 /nfs/dbraw/zinc/99/22/61/806992261.db2.gz GXQLGXSHAXGOHQ-UHFFFAOYSA-N 2 1 295.377 3.172 20 0 CGADMP FC1(F)CCCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256855171 806992265 /nfs/dbraw/zinc/99/22/65/806992265.db2.gz GXQLGXSHAXGOHQ-UHFFFAOYSA-N 2 1 295.377 3.172 20 0 CGADMP Cc1c[nH+]c(NCC2CC[NH+](C(C)C)CC2)c2[nH]ccc21 ZINC001166604632 807062922 /nfs/dbraw/zinc/06/29/22/807062922.db2.gz ZXOAWCHSGCTIMP-UHFFFAOYSA-N 2 1 286.423 3.404 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001257220695 807065392 /nfs/dbraw/zinc/06/53/92/807065392.db2.gz SMMCUCJHLHYJJX-KRWDZBQOSA-N 2 1 273.424 3.091 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001257220695 807065401 /nfs/dbraw/zinc/06/54/01/807065401.db2.gz SMMCUCJHLHYJJX-KRWDZBQOSA-N 2 1 273.424 3.091 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001257218558 807066452 /nfs/dbraw/zinc/06/64/52/807066452.db2.gz UQYMUIIDCUQCAB-MRXNPFEDSA-N 2 1 290.426 3.488 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001257218558 807066460 /nfs/dbraw/zinc/06/64/60/807066460.db2.gz UQYMUIIDCUQCAB-MRXNPFEDSA-N 2 1 290.426 3.488 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)C[C@H]3C2)cc1 ZINC001257355548 807120442 /nfs/dbraw/zinc/12/04/42/807120442.db2.gz ZSBXUCKKQIGTIS-ZWKOTPCHSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)C[C@H]3C2)cc1 ZINC001257355548 807120446 /nfs/dbraw/zinc/12/04/46/807120446.db2.gz ZSBXUCKKQIGTIS-ZWKOTPCHSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)C[C@H]3C2)cc1 ZINC001257355548 807120452 /nfs/dbraw/zinc/12/04/52/807120452.db2.gz ZSBXUCKKQIGTIS-ZWKOTPCHSA-N 2 1 284.447 3.383 20 0 CGADMP [NH3+]C1(c2ccccc2F)CC[NH+](C2CCCCC2)CC1 ZINC001257452694 807164222 /nfs/dbraw/zinc/16/42/22/807164222.db2.gz IWKIDAZIKCHACD-UHFFFAOYSA-N 2 1 276.399 3.408 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257483416 807179026 /nfs/dbraw/zinc/17/90/26/807179026.db2.gz WBKFSQZLLJZSDV-XUWVNRHRSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257483416 807179028 /nfs/dbraw/zinc/17/90/28/807179028.db2.gz WBKFSQZLLJZSDV-XUWVNRHRSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257483416 807179031 /nfs/dbraw/zinc/17/90/31/807179031.db2.gz WBKFSQZLLJZSDV-XUWVNRHRSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1cccc2c1CC[C@H]2[NH3+] ZINC001167755014 807243846 /nfs/dbraw/zinc/24/38/46/807243846.db2.gz YMBAXCGKSFQVDM-WMLDXEAASA-N 2 1 287.451 3.309 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC001258005773 807264893 /nfs/dbraw/zinc/26/48/93/807264893.db2.gz WESYSZXTFWJBGP-SFHVURJKSA-N 2 1 287.451 3.243 20 0 CGADMP CC[N@H+](Cc1cccnc1)C1CC[NH+](CC(C)C)CC1 ZINC001258014688 807266882 /nfs/dbraw/zinc/26/68/82/807266882.db2.gz PWUGHJMJSPIMTC-UHFFFAOYSA-N 2 1 275.440 3.024 20 0 CGADMP CC[N@@H+](Cc1cccnc1)C1CC[NH+](CC(C)C)CC1 ZINC001258014688 807266887 /nfs/dbraw/zinc/26/68/87/807266887.db2.gz PWUGHJMJSPIMTC-UHFFFAOYSA-N 2 1 275.440 3.024 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001258016971 807267346 /nfs/dbraw/zinc/26/73/46/807267346.db2.gz PEQPSRODDKWLMF-CYBMUJFWSA-N 2 1 274.399 3.084 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](C)CC2)CC1 ZINC001258013364 807267384 /nfs/dbraw/zinc/26/73/84/807267384.db2.gz PHTOFLYCXMQZDH-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC001258051113 807277447 /nfs/dbraw/zinc/27/74/47/807277447.db2.gz HZFBPJOEOXIKME-UONOGXRCSA-N 2 1 251.418 3.242 20 0 CGADMP CC(C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964082 807288138 /nfs/dbraw/zinc/28/81/38/807288138.db2.gz NAEMKEMSWVIPMU-LNRIEFBSSA-N 2 1 264.457 3.416 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC3(CCC3)C1)C2 ZINC001167994953 807294050 /nfs/dbraw/zinc/29/40/50/807294050.db2.gz RLJHZTWNFPJUPW-SJPCQFCGSA-N 2 1 274.452 3.268 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCC3(CCC3)C1)C2 ZINC001167994953 807294058 /nfs/dbraw/zinc/29/40/58/807294058.db2.gz RLJHZTWNFPJUPW-SJPCQFCGSA-N 2 1 274.452 3.268 20 0 CGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCC3(CCC3)C1)C2 ZINC001167994953 807294064 /nfs/dbraw/zinc/29/40/64/807294064.db2.gz RLJHZTWNFPJUPW-SJPCQFCGSA-N 2 1 274.452 3.268 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258076979 807294640 /nfs/dbraw/zinc/29/46/40/807294640.db2.gz USBCNJNIEPVUAY-JONQDZQNSA-N 2 1 250.430 3.336 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001258084987 807299148 /nfs/dbraw/zinc/29/91/48/807299148.db2.gz DCSRGXQDXFRIBG-INIZCTEOSA-N 2 1 287.451 3.466 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168093531 807308972 /nfs/dbraw/zinc/30/89/72/807308972.db2.gz NGMVJNFIZWVUCQ-UOVPBQLFSA-N 2 1 294.483 3.459 20 0 CGADMP CC[N@H+](C(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141008 807318740 /nfs/dbraw/zinc/31/87/40/807318740.db2.gz RFFPSPCGNBYDRN-UHFFFAOYSA-N 2 1 274.452 3.424 20 0 CGADMP CC[N@@H+](C(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141008 807318747 /nfs/dbraw/zinc/31/87/47/807318747.db2.gz RFFPSPCGNBYDRN-UHFFFAOYSA-N 2 1 274.452 3.424 20 0 CGADMP CC1(C)CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145848 807319014 /nfs/dbraw/zinc/31/90/14/807319014.db2.gz MOCJWDNAOLECPQ-UHFFFAOYSA-N 2 1 286.463 3.425 20 0 CGADMP CC1(C)CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145848 807319024 /nfs/dbraw/zinc/31/90/24/807319024.db2.gz MOCJWDNAOLECPQ-UHFFFAOYSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H]1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)C1 ZINC001258151514 807321690 /nfs/dbraw/zinc/32/16/90/807321690.db2.gz JGPPXRLKEHKQHM-LKAFINOVSA-N 2 1 250.430 3.026 20 0 CGADMP Cc1cccc(N([C@H](C)Cc2ccco2)C2CC[NH2+]CC2)[nH+]1 ZINC001258196896 807357356 /nfs/dbraw/zinc/35/73/56/807357356.db2.gz GPQBWKZQYMCHGF-OAHLLOKOSA-N 2 1 299.418 3.173 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168234315 807359161 /nfs/dbraw/zinc/35/91/61/807359161.db2.gz MWYZVFHYHLMKPL-WBVHZDCISA-N 2 1 291.414 3.097 20 0 CGADMP CSCC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258209660 807366720 /nfs/dbraw/zinc/36/67/20/807366720.db2.gz QWGVDLMBYYZVBD-YDHLFZDLSA-N 2 1 270.486 3.252 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258350248 807424053 /nfs/dbraw/zinc/42/40/53/807424053.db2.gz ZHZXWTULKXFJGO-ZDUSSCGKSA-N 2 1 270.486 3.077 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CCc2nccn2CC1 ZINC001258387285 807435616 /nfs/dbraw/zinc/43/56/16/807435616.db2.gz MFGAAICTJAFWPG-UHFFFAOYSA-N 2 1 263.429 3.490 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258387285 807435622 /nfs/dbraw/zinc/43/56/22/807435622.db2.gz MFGAAICTJAFWPG-UHFFFAOYSA-N 2 1 263.429 3.490 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258387285 807435627 /nfs/dbraw/zinc/43/56/27/807435627.db2.gz MFGAAICTJAFWPG-UHFFFAOYSA-N 2 1 263.429 3.490 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CCc1ccc(OC)cc1 ZINC001258389691 807437129 /nfs/dbraw/zinc/43/71/29/807437129.db2.gz VHHOSEBILAMYCE-OAHLLOKOSA-N 2 1 278.440 3.077 20 0 CGADMP CCCCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258447402 807456138 /nfs/dbraw/zinc/45/61/38/807456138.db2.gz AFKXKXLDXNXRRM-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258447402 807456143 /nfs/dbraw/zinc/45/61/43/807456143.db2.gz AFKXKXLDXNXRRM-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001258651248 807523462 /nfs/dbraw/zinc/52/34/62/807523462.db2.gz LSQJDSNQZGPOLV-QZTJIDSGSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697506 807552269 /nfs/dbraw/zinc/55/22/69/807552269.db2.gz QUTFVZCAHJRCQE-FZKCQIBNSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697506 807552270 /nfs/dbraw/zinc/55/22/70/807552270.db2.gz QUTFVZCAHJRCQE-FZKCQIBNSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697506 807552271 /nfs/dbraw/zinc/55/22/71/807552271.db2.gz QUTFVZCAHJRCQE-FZKCQIBNSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169078803 807567354 /nfs/dbraw/zinc/56/73/54/807567354.db2.gz HCABSXMRIATBLL-KSYCFECVSA-N 2 1 262.372 3.102 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169100248 807576841 /nfs/dbraw/zinc/57/68/41/807576841.db2.gz HIXSCWOEUTUUIN-DFGXFYAUSA-N 2 1 270.420 3.197 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])C1CCCCCC1)C2 ZINC001169101669 807578384 /nfs/dbraw/zinc/57/83/84/807578384.db2.gz UXQDXJOOSHJLLE-QDMKHBRRSA-N 2 1 263.429 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3c(F)cccc31)C2 ZINC001169117119 807582800 /nfs/dbraw/zinc/58/28/00/807582800.db2.gz VVQMJUYSYZRIEI-AHXJXLJNSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCc3ccccc31)C2 ZINC001169120237 807582957 /nfs/dbraw/zinc/58/29/57/807582957.db2.gz ZYGPULXYHRSNQK-FJIDUMEYSA-N 2 1 284.447 3.321 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3c(F)cccc31)C2 ZINC001169117121 807584048 /nfs/dbraw/zinc/58/40/48/807584048.db2.gz VVQMJUYSYZRIEI-KYZVSKTDSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(Cl)s1)C2 ZINC001169124013 807584895 /nfs/dbraw/zinc/58/48/95/807584895.db2.gz PCODFDLBMXVGDA-ZSBIGDGJSA-N 2 1 284.856 3.159 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169145925 807591793 /nfs/dbraw/zinc/59/17/93/807591793.db2.gz NIPAJVMDSHSRFC-QMCVQRASSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145925 807591799 /nfs/dbraw/zinc/59/17/99/807591799.db2.gz NIPAJVMDSHSRFC-QMCVQRASSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145925 807591807 /nfs/dbraw/zinc/59/18/07/807591807.db2.gz NIPAJVMDSHSRFC-QMCVQRASSA-N 2 1 288.435 3.313 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169162898 807597647 /nfs/dbraw/zinc/59/76/47/807597647.db2.gz VHDAAMXOMPKSBQ-ABPIDSFRSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CC[C@H]([NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169162898 807597650 /nfs/dbraw/zinc/59/76/50/807597650.db2.gz VHDAAMXOMPKSBQ-ABPIDSFRSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@H]1CC[C@H]([NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169162898 807597656 /nfs/dbraw/zinc/59/76/56/807597656.db2.gz VHDAAMXOMPKSBQ-ABPIDSFRSA-N 2 1 250.430 3.122 20 0 CGADMP CCC[NH+]1CCC([NH2+]CC2(F)CCCCC2)CC1 ZINC001258767893 807602582 /nfs/dbraw/zinc/60/25/82/807602582.db2.gz NTSGNUYGQDVLTP-UHFFFAOYSA-N 2 1 256.409 3.123 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC001258771497 807605018 /nfs/dbraw/zinc/60/50/18/807605018.db2.gz FSXSLFNWPHJDSI-OAHLLOKOSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+]1CCC([N@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC001169245985 807613720 /nfs/dbraw/zinc/61/37/20/807613720.db2.gz LDGDSLIUTIKBQO-CQSZACIVSA-N 2 1 258.409 3.090 20 0 CGADMP CC[NH+]1CCC([N@@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC001169245985 807613721 /nfs/dbraw/zinc/61/37/21/807613721.db2.gz LDGDSLIUTIKBQO-CQSZACIVSA-N 2 1 258.409 3.090 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](CC)CC1 ZINC001169264570 807618439 /nfs/dbraw/zinc/61/84/39/807618439.db2.gz INDUUXBBEVTRBC-GOSISDBHSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1C1CC[NH+](CC)CC1 ZINC001169264570 807618444 /nfs/dbraw/zinc/61/84/44/807618444.db2.gz INDUUXBBEVTRBC-GOSISDBHSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001258812504 807629949 /nfs/dbraw/zinc/62/99/49/807629949.db2.gz FMZYHHKMZWZLOX-UAGQMJEPSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001258812504 807629950 /nfs/dbraw/zinc/62/99/50/807629950.db2.gz FMZYHHKMZWZLOX-UAGQMJEPSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc2c(C)cc(NCC[C@H]3CCC[NH2+]3)[nH+]c2c1 ZINC001169563200 807667323 /nfs/dbraw/zinc/66/73/23/807667323.db2.gz WCERTUAAFWJCAM-CQSZACIVSA-N 2 1 269.392 3.406 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001258906930 807672221 /nfs/dbraw/zinc/67/22/21/807672221.db2.gz NBBAJCTXDXJFMZ-SQNIBIBYSA-N 3 1 297.531 3.205 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCN(C(C)C)C[C@H]1C ZINC001258906930 807672225 /nfs/dbraw/zinc/67/22/25/807672225.db2.gz NBBAJCTXDXJFMZ-SQNIBIBYSA-N 2 1 297.531 3.205 20 0 CGADMP CC(C)C[N@@H+]([C@@H]1CC[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170125016 807768442 /nfs/dbraw/zinc/76/84/42/807768442.db2.gz ZOIXVWFLMNEBOZ-YHUYYLMFSA-N 2 1 252.446 3.403 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CCO1 ZINC001170183427 807788396 /nfs/dbraw/zinc/78/83/96/807788396.db2.gz SASPOBOGRIERST-BPQIPLTHSA-N 2 1 290.451 3.041 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192750 807790152 /nfs/dbraw/zinc/79/01/52/807790152.db2.gz KFMXOHQQCQYQOL-MWQQHZPXSA-N 2 1 280.456 3.068 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CCc3ccc(F)cc3)C[C@H]2C1 ZINC001262379377 807863507 /nfs/dbraw/zinc/86/35/07/807863507.db2.gz YQLVHQZOVLYXHE-LZLYRXPVSA-N 2 1 290.426 3.030 20 0 CGADMP CC(C)C1(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001262378627 807863572 /nfs/dbraw/zinc/86/35/72/807863572.db2.gz HBNXKFZYHJVRES-ARFHVFGLSA-N 2 1 264.457 3.085 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@@H+](CCC[NH3+])C3CCCCC3)C[C@@H]21 ZINC001170715356 807882627 /nfs/dbraw/zinc/88/26/27/807882627.db2.gz GSWQMRYLFBCELT-PHZGNYQRSA-N 2 1 264.457 3.405 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170724393 807886694 /nfs/dbraw/zinc/88/66/94/807886694.db2.gz JEDDCOQOMQJWSV-MATGBUBXSA-N 2 1 262.441 3.026 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170724393 807886701 /nfs/dbraw/zinc/88/67/01/807886701.db2.gz JEDDCOQOMQJWSV-MATGBUBXSA-N 2 1 262.441 3.026 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCCOCC2)CC1 ZINC001170799717 807909061 /nfs/dbraw/zinc/90/90/61/807909061.db2.gz MZJFQIDQNKDSMZ-SZMVWBNQSA-N 2 1 294.483 3.460 20 0 CGADMP CCN1CCC([N@@H+](C)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000448 807954752 /nfs/dbraw/zinc/95/47/52/807954752.db2.gz HFLBQTYOQNIUKG-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000448 807954756 /nfs/dbraw/zinc/95/47/56/807954756.db2.gz HFLBQTYOQNIUKG-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000448 807954759 /nfs/dbraw/zinc/95/47/59/807954759.db2.gz HFLBQTYOQNIUKG-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP Fc1cccc2c1C[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171005987 807959220 /nfs/dbraw/zinc/95/92/20/807959220.db2.gz VCKQPIUXHDLCHV-HNNXBMFYSA-N 2 1 299.393 3.219 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171115462 807987175 /nfs/dbraw/zinc/98/71/75/807987175.db2.gz DDLDQHGVEFOMGN-MRXNPFEDSA-N 2 1 280.843 3.081 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171116261 807988291 /nfs/dbraw/zinc/98/82/91/807988291.db2.gz MEZWDJGMZYFYDR-DQYPLSBCSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171116261 807988297 /nfs/dbraw/zinc/98/82/97/807988297.db2.gz MEZWDJGMZYFYDR-DQYPLSBCSA-N 2 1 292.854 3.127 20 0 CGADMP Cc1ccc2c(c1)[nH+]ccc2-n1cc2ccc(C[NH3+])cc2n1 ZINC001171327210 808026560 /nfs/dbraw/zinc/02/65/60/808026560.db2.gz KCNZZFURUYGGQG-UHFFFAOYSA-N 2 1 288.354 3.341 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001171558014 808094943 /nfs/dbraw/zinc/09/49/43/808094943.db2.gz ZLXYPWZOAIWJNB-KRWDZBQOSA-N 2 1 284.447 3.069 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccnc1 ZINC001171613284 808105288 /nfs/dbraw/zinc/10/52/88/808105288.db2.gz IIYLRCIRRGLQFF-CYBMUJFWSA-N 2 1 275.440 3.384 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@](C)(CO)CC2)CC1(C)C ZINC001171632131 808109945 /nfs/dbraw/zinc/10/99/45/808109945.db2.gz VRETXBPHYKLWDH-SFHVURJKSA-N 2 1 296.499 3.122 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001171680021 808121657 /nfs/dbraw/zinc/12/16/57/808121657.db2.gz OIOYIWDFLVPVOX-HKUYNNGSSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001171680021 808121660 /nfs/dbraw/zinc/12/16/60/808121660.db2.gz OIOYIWDFLVPVOX-HKUYNNGSSA-N 2 1 286.463 3.344 20 0 CGADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982066 808164124 /nfs/dbraw/zinc/16/41/24/808164124.db2.gz GYSPSPYEKPKJPX-DOTOQJQBSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172100239 808172359 /nfs/dbraw/zinc/17/23/59/808172359.db2.gz BWQZHLVHRYGUDL-MXASKKJJSA-N 2 1 258.409 3.353 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100239 808172362 /nfs/dbraw/zinc/17/23/62/808172362.db2.gz BWQZHLVHRYGUDL-MXASKKJJSA-N 2 1 258.409 3.353 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172107194 808176207 /nfs/dbraw/zinc/17/62/07/808176207.db2.gz UNQZLSOLYDWLNU-FJIDUMEYSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172107194 808176210 /nfs/dbraw/zinc/17/62/10/808176210.db2.gz UNQZLSOLYDWLNU-FJIDUMEYSA-N 2 1 287.451 3.384 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)Cc3ccccc3C1)C2 ZINC001172113701 808180272 /nfs/dbraw/zinc/18/02/72/808180272.db2.gz JDJQCRUVFVEUGZ-BCDXTJNWSA-N 2 1 284.447 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)Cc3ccccc3C1)C2 ZINC001172113701 808180276 /nfs/dbraw/zinc/18/02/76/808180276.db2.gz JDJQCRUVFVEUGZ-BCDXTJNWSA-N 2 1 284.447 3.149 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113175 808181046 /nfs/dbraw/zinc/18/10/46/808181046.db2.gz HHMDTMHXCUHGKM-VWRMEMRPSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113175 808181050 /nfs/dbraw/zinc/18/10/50/808181050.db2.gz HHMDTMHXCUHGKM-VWRMEMRPSA-N 2 1 250.430 3.026 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cc(F)cc(F)c1)C2 ZINC001172119245 808184144 /nfs/dbraw/zinc/18/41/44/808184144.db2.gz WVYIFWBUQVGUBK-OSYLJGHBSA-N 2 1 294.389 3.112 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3cc(F)ccc3C1)C2 ZINC001172123338 808186501 /nfs/dbraw/zinc/18/65/01/808186501.db2.gz CIJBQRIHWHJBHF-PIIMJCKOSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3cc(F)ccc3C1)C2 ZINC001172123338 808186506 /nfs/dbraw/zinc/18/65/06/808186506.db2.gz CIJBQRIHWHJBHF-PIIMJCKOSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3cc(F)ccc3C1)C2 ZINC001172123338 808186510 /nfs/dbraw/zinc/18/65/10/808186510.db2.gz CIJBQRIHWHJBHF-PIIMJCKOSA-N 2 1 288.410 3.199 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172373456 808268513 /nfs/dbraw/zinc/26/85/13/808268513.db2.gz MKTQDFIFCYEESJ-IJEWVQPXSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172373456 808268521 /nfs/dbraw/zinc/26/85/21/808268521.db2.gz MKTQDFIFCYEESJ-IJEWVQPXSA-N 2 1 252.446 3.227 20 0 CGADMP CC[C@@H](CC(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172396692 808286343 /nfs/dbraw/zinc/28/63/43/808286343.db2.gz WJNJHAGWYYRQKW-JONQDZQNSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@@H](CC(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172396692 808286351 /nfs/dbraw/zinc/28/63/51/808286351.db2.gz WJNJHAGWYYRQKW-JONQDZQNSA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)OCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172434609 808311287 /nfs/dbraw/zinc/31/12/87/808311287.db2.gz QMEYXKJDPZJUNQ-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172442072 808316993 /nfs/dbraw/zinc/31/69/93/808316993.db2.gz RGCBRGHKJKOPFY-AEFFLSMTSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172442072 808316996 /nfs/dbraw/zinc/31/69/96/808316996.db2.gz RGCBRGHKJKOPFY-AEFFLSMTSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172441388 808317287 /nfs/dbraw/zinc/31/72/87/808317287.db2.gz MORASYCALRIJEK-RDJZCZTQSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172441388 808317295 /nfs/dbraw/zinc/31/72/95/808317295.db2.gz MORASYCALRIJEK-RDJZCZTQSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)COCC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172466850 808335974 /nfs/dbraw/zinc/33/59/74/808335974.db2.gz GUDQPWYFUAALID-SZMVWBNQSA-N 2 1 296.499 3.420 20 0 CGADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172538788 808370370 /nfs/dbraw/zinc/37/03/70/808370370.db2.gz SXJULDPDHJGWKL-JQHSSLGASA-N 2 1 272.436 3.254 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564635 808390692 /nfs/dbraw/zinc/39/06/92/808390692.db2.gz XKTDOIASEUBDKF-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564635 808390700 /nfs/dbraw/zinc/39/07/00/808390700.db2.gz XKTDOIASEUBDKF-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564635 808390707 /nfs/dbraw/zinc/39/07/07/808390707.db2.gz XKTDOIASEUBDKF-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP Cc1ccc2c(c1)C[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001172841858 808456005 /nfs/dbraw/zinc/45/60/05/808456005.db2.gz IGUYDQXEQIOHAI-GOSISDBHSA-N 2 1 295.430 3.389 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)n1c[nH+]cc1CC[NH3+] ZINC001172870692 808470898 /nfs/dbraw/zinc/47/08/98/808470898.db2.gz LWOIRPJHQVYWFS-NSHDSACASA-N 2 1 295.839 3.391 20 0 CGADMP CO[C@H]1CCC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172926298 808483274 /nfs/dbraw/zinc/48/32/74/808483274.db2.gz AHTSABVPOKJHIA-QAETUUGQSA-N 2 1 282.472 3.172 20 0 CGADMP CO[C@H]1CCC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172926302 808483311 /nfs/dbraw/zinc/48/33/11/808483311.db2.gz AHTSABVPOKJHIA-VQHPVUNQSA-N 2 1 282.472 3.172 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001173109394 808512247 /nfs/dbraw/zinc/51/22/47/808512247.db2.gz ICMMHYAVBNMODD-FHERZECASA-N 2 1 270.436 3.463 20 0 CGADMP CCN(CC)[C@@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173114454 808513314 /nfs/dbraw/zinc/51/33/14/808513314.db2.gz KVFIAYYXRQYTRY-DAWZGUTISA-N 2 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)[C@@H]1CCN(C2CCC([NH+](CC)CC)CC2)C1 ZINC001173114454 808513319 /nfs/dbraw/zinc/51/33/19/808513319.db2.gz KVFIAYYXRQYTRY-DAWZGUTISA-N 2 1 295.515 3.056 20 0 CGADMP CCO[C@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173112097 808513338 /nfs/dbraw/zinc/51/33/38/808513338.db2.gz QFGVOUMTNHQOEI-JCYILVPMSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2C(C)=O)CC1 ZINC001173113387 808513608 /nfs/dbraw/zinc/51/36/08/808513608.db2.gz OZUHKWVPECEROO-JCYILVPMSA-N 2 1 280.456 3.083 20 0 CGADMP CC[C@H]1CC[C@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001173288220 808588159 /nfs/dbraw/zinc/58/81/59/808588159.db2.gz MIIKGOAUNUUFIT-YJBOKZPZSA-N 2 1 294.483 3.140 20 0 CGADMP CCSC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173299272 808599506 /nfs/dbraw/zinc/59/95/06/808599506.db2.gz UKXOLKKPOMDZHU-RBSFLKMASA-N 2 1 272.502 3.356 20 0 CGADMP Cc1cn2cc(Nc3ccccc3C[NH+](C)C)ccc2[nH+]1 ZINC001173930594 808769156 /nfs/dbraw/zinc/76/91/56/808769156.db2.gz XMFOFVUGUUNBGK-UHFFFAOYSA-N 2 1 280.375 3.448 20 0 CGADMP COCCCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001274988089 808896292 /nfs/dbraw/zinc/89/62/92/808896292.db2.gz OAAZATQGHPLGOC-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP COCCCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001274988089 808896298 /nfs/dbraw/zinc/89/62/98/808896298.db2.gz OAAZATQGHPLGOC-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP COCCCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001274988089 808896306 /nfs/dbraw/zinc/89/63/06/808896306.db2.gz OAAZATQGHPLGOC-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP CC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275086002 808905642 /nfs/dbraw/zinc/90/56/42/808905642.db2.gz BNKPOFCQGNNQRH-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP CC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275086002 808905645 /nfs/dbraw/zinc/90/56/45/808905645.db2.gz BNKPOFCQGNNQRH-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP CC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275086002 808905653 /nfs/dbraw/zinc/90/56/53/808905653.db2.gz BNKPOFCQGNNQRH-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)cccc3Cl)C[C@H]2CC1 ZINC001275251954 808923679 /nfs/dbraw/zinc/92/36/79/808923679.db2.gz BRWPBQPYCQYEAB-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]2CC1 ZINC001275251954 808923686 /nfs/dbraw/zinc/92/36/86/808923686.db2.gz BRWPBQPYCQYEAB-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]2CC1 ZINC001275251954 808923694 /nfs/dbraw/zinc/92/36/94/808923694.db2.gz BRWPBQPYCQYEAB-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP CSc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001275901293 808974080 /nfs/dbraw/zinc/97/40/80/808974080.db2.gz FQDVOQXRMXYYFY-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001275901293 808974084 /nfs/dbraw/zinc/97/40/84/808974084.db2.gz FQDVOQXRMXYYFY-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001275901293 808974087 /nfs/dbraw/zinc/97/40/87/808974087.db2.gz FQDVOQXRMXYYFY-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3[nH]ccc3c1)C2 ZINC001276244058 808995771 /nfs/dbraw/zinc/99/57/71/808995771.db2.gz OUODJNRLLQJLQJ-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(C)n1 ZINC001276418503 809007090 /nfs/dbraw/zinc/00/70/90/809007090.db2.gz GKYJSNAAMWFGCB-UHFFFAOYSA-N 2 1 287.451 3.006 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cccc(Cl)c1)C2 ZINC001276703612 809025670 /nfs/dbraw/zinc/02/56/70/809025670.db2.gz PFOAOTHPZWJNHU-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cccc(Cl)c1)C2 ZINC001276703612 809025675 /nfs/dbraw/zinc/02/56/75/809025675.db2.gz PFOAOTHPZWJNHU-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1cccc(Cl)c1)C2 ZINC001276703612 809025683 /nfs/dbraw/zinc/02/56/83/809025683.db2.gz PFOAOTHPZWJNHU-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1cccc(Cl)c1)C2 ZINC001276703612 809025695 /nfs/dbraw/zinc/02/56/95/809025695.db2.gz PFOAOTHPZWJNHU-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCc3cccc(F)c3)C[C@H]2CC1 ZINC001276747311 809028204 /nfs/dbraw/zinc/02/82/04/809028204.db2.gz ZBUGZDRBBFULJF-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]2CC1 ZINC001276747311 809028211 /nfs/dbraw/zinc/02/82/11/809028211.db2.gz ZBUGZDRBBFULJF-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3cccc(F)c3)C[C@H]2CC1 ZINC001276747311 809028216 /nfs/dbraw/zinc/02/82/16/809028216.db2.gz ZBUGZDRBBFULJF-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CCO1 ZINC001174933001 809204916 /nfs/dbraw/zinc/20/49/16/809204916.db2.gz IELLCPFZUCXZRA-SJORKVTESA-N 2 1 296.499 3.245 20 0 CGADMP Cc1cn2cc(Nc3ccc(C[NH+](C)C)cc3)ccc2[nH+]1 ZINC001176290442 809662316 /nfs/dbraw/zinc/66/23/16/809662316.db2.gz JZVJTBFAPMBZJT-UHFFFAOYSA-N 2 1 280.375 3.448 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001177295189 809791866 /nfs/dbraw/zinc/79/18/66/809791866.db2.gz YUTFXUJLUWVKAR-KZNAEPCWSA-N 2 1 296.499 3.434 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)C1CCCC1 ZINC001178205946 809852156 /nfs/dbraw/zinc/85/21/56/809852156.db2.gz XEZUVZANDWXNGQ-UHFFFAOYSA-N 2 1 275.440 3.454 20 0 CGADMP COC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCCCCC1 ZINC001179918581 809958137 /nfs/dbraw/zinc/95/81/37/809958137.db2.gz CTYXDVFKXXYCJG-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP COC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCCCCC1 ZINC001179918581 809958139 /nfs/dbraw/zinc/95/81/39/809958139.db2.gz CTYXDVFKXXYCJG-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP COC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCCCCC1 ZINC001179918581 809958143 /nfs/dbraw/zinc/95/81/43/809958143.db2.gz CTYXDVFKXXYCJG-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001182307426 810103554 /nfs/dbraw/zinc/10/35/54/810103554.db2.gz AFPXMQGMCZONGS-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001182307426 810103557 /nfs/dbraw/zinc/10/35/57/810103557.db2.gz AFPXMQGMCZONGS-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CCO[C@@H](C[NH2+][C@@H]1CCCC12CCCCC2)C[NH+](C)C ZINC001183756234 810159855 /nfs/dbraw/zinc/15/98/55/810159855.db2.gz ZPIMTLJDEJHBEC-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP c1cc(N2CCC[N@H+](CC3CCCCC3)CC2)cc[nH+]1 ZINC001195536883 811265360 /nfs/dbraw/zinc/26/53/60/811265360.db2.gz SMXRRGPBWKMPJG-UHFFFAOYSA-N 2 1 273.424 3.174 20 0 CGADMP CN1C[C@]2(C)C[N@@H+](Cc3ccccc3C3CC3)C[C@]2(C)C1 ZINC001196632046 811355133 /nfs/dbraw/zinc/35/51/33/811355133.db2.gz LNRJQUHYWKAVED-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3C3CC3)C[C@]2(C)C1 ZINC001196632046 811355160 /nfs/dbraw/zinc/35/51/60/811355160.db2.gz LNRJQUHYWKAVED-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3C3CC3)C[C@]2(C)C1 ZINC001196632046 811355169 /nfs/dbraw/zinc/35/51/69/811355169.db2.gz LNRJQUHYWKAVED-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001200356092 811680697 /nfs/dbraw/zinc/68/06/97/811680697.db2.gz POWPYGCVHUHOHO-SJLPKXTDSA-N 2 1 274.452 3.187 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CC[N@@H+]2CCCC[C@@H]2CC)CCO1 ZINC001200355539 811681008 /nfs/dbraw/zinc/68/10/08/811681008.db2.gz KNJJJDAOXRLPDH-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CC[N@H+]2CCCC[C@@H]2CC)CCO1 ZINC001200355539 811681011 /nfs/dbraw/zinc/68/10/11/811681011.db2.gz KNJJJDAOXRLPDH-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP Cn1cc[nH+]c1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201470212 811853574 /nfs/dbraw/zinc/85/35/74/811853574.db2.gz NKOAPZXKMZDYNP-SJORKVTESA-N 2 1 294.402 3.153 20 0 CGADMP Cn1cc[nH+]c1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201470212 811853585 /nfs/dbraw/zinc/85/35/85/811853585.db2.gz NKOAPZXKMZDYNP-SJORKVTESA-N 2 1 294.402 3.153 20 0 CGADMP CCC(CC)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001201526344 811884332 /nfs/dbraw/zinc/88/43/32/811884332.db2.gz YBPWMAOUKOHSPS-UHFFFAOYSA-N 2 1 275.440 3.365 20 0 CGADMP FC(F)(F)CC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001202349203 812069703 /nfs/dbraw/zinc/06/97/03/812069703.db2.gz YTEWACZYSWDFFA-ZDUSSCGKSA-N 2 1 278.362 3.279 20 0 CGADMP FC(F)(F)CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001202349203 812069711 /nfs/dbraw/zinc/06/97/11/812069711.db2.gz YTEWACZYSWDFFA-ZDUSSCGKSA-N 2 1 278.362 3.279 20 0 CGADMP c1coc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203278402 812289904 /nfs/dbraw/zinc/28/99/04/812289904.db2.gz NSNJELOWRWWSRY-HNNXBMFYSA-N 2 1 262.397 3.120 20 0 CGADMP c1coc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203278402 812289910 /nfs/dbraw/zinc/28/99/10/812289910.db2.gz NSNJELOWRWWSRY-HNNXBMFYSA-N 2 1 262.397 3.120 20 0 CGADMP Cc1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001203894967 812484382 /nfs/dbraw/zinc/48/43/82/812484382.db2.gz OTVKXVRRGZYSEO-UHFFFAOYSA-N 2 1 290.426 3.393 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001204048304 812534467 /nfs/dbraw/zinc/53/44/67/812534467.db2.gz QXGOGIHQJZQKEL-ZFWWWQNUSA-N 2 1 282.378 3.284 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+](C)C1CCN(C)CC1 ZINC001204286255 812597889 /nfs/dbraw/zinc/59/78/89/812597889.db2.gz BPCXDRYCBHHIJU-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001204286255 812597896 /nfs/dbraw/zinc/59/78/96/812597896.db2.gz BPCXDRYCBHHIJU-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001204286255 812597900 /nfs/dbraw/zinc/59/79/00/812597900.db2.gz BPCXDRYCBHHIJU-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP C[N@@H+](CCC1CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC001204441731 812641251 /nfs/dbraw/zinc/64/12/51/812641251.db2.gz RCVHWHDDAXLAMT-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](CCC1CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC001204441731 812641254 /nfs/dbraw/zinc/64/12/54/812641254.db2.gz RCVHWHDDAXLAMT-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](CCC1CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001204441731 812641256 /nfs/dbraw/zinc/64/12/56/812641256.db2.gz RCVHWHDDAXLAMT-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@H+](C[C@H]1[C@@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001204599262 812685615 /nfs/dbraw/zinc/68/56/15/812685615.db2.gz VCAUMTJCICIKOK-JSGCOSHPSA-N 2 1 274.399 3.132 20 0 CGADMP CC[N@@H+](C[C@H]1[C@@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001204599262 812685622 /nfs/dbraw/zinc/68/56/22/812685622.db2.gz VCAUMTJCICIKOK-JSGCOSHPSA-N 2 1 274.399 3.132 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CCC[NH2+]CC1 ZINC001204668595 812704542 /nfs/dbraw/zinc/70/45/42/812704542.db2.gz ZFPWVNBZMOIWFN-UHFFFAOYSA-N 2 1 280.371 3.381 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CCC[NH2+]CC1 ZINC001204668595 812704546 /nfs/dbraw/zinc/70/45/46/812704546.db2.gz ZFPWVNBZMOIWFN-UHFFFAOYSA-N 2 1 280.371 3.381 20 0 CGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(F)c1F ZINC001204735143 812720682 /nfs/dbraw/zinc/72/06/82/812720682.db2.gz LMLAWSYZVQGKMP-UHFFFAOYSA-N 2 1 294.389 3.239 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@](C)([NH3+])C1)c1cccc2ccccc21 ZINC001204763428 812728947 /nfs/dbraw/zinc/72/89/47/812728947.db2.gz JYLLLUUAPLNDFM-KDOFPFPSSA-N 2 1 268.404 3.366 20 0 CGADMP C[C@H](C[N@H+]1CC[C@](C)([NH3+])C1)c1cccc2ccccc21 ZINC001204763428 812728952 /nfs/dbraw/zinc/72/89/52/812728952.db2.gz JYLLLUUAPLNDFM-KDOFPFPSSA-N 2 1 268.404 3.366 20 0 CGADMP CC1(C[N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]CC1 ZINC001204855054 812755246 /nfs/dbraw/zinc/75/52/46/812755246.db2.gz YMXREEANNOXHHO-UHFFFAOYSA-N 2 1 278.827 3.088 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@H]([NH3+])C2)c(C)c1C ZINC001204885394 812763138 /nfs/dbraw/zinc/76/31/38/812763138.db2.gz SSIUONFTYPITMP-INIZCTEOSA-N 2 1 260.425 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@H]([NH3+])C2)c(C)c1C ZINC001204885394 812763143 /nfs/dbraw/zinc/76/31/43/812763143.db2.gz SSIUONFTYPITMP-INIZCTEOSA-N 2 1 260.425 3.152 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2C)C1 ZINC001205018059 812827358 /nfs/dbraw/zinc/82/73/58/812827358.db2.gz RBYMCOYVRZHADB-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2C)C1 ZINC001205018059 812827362 /nfs/dbraw/zinc/82/73/62/812827362.db2.gz RBYMCOYVRZHADB-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001205018873 812827474 /nfs/dbraw/zinc/82/74/74/812827474.db2.gz ZMCGKLKVWOCMSJ-CQSZACIVSA-N 2 1 286.394 3.410 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)c(Cl)c2C)C1 ZINC001205018014 812828995 /nfs/dbraw/zinc/82/89/95/812828995.db2.gz QHIYTFYAQJQITL-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)c(Cl)c2C)C1 ZINC001205018014 812829005 /nfs/dbraw/zinc/82/90/05/812829005.db2.gz QHIYTFYAQJQITL-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@@H]([NH3+])CC3)ccc2O1 ZINC001205110344 812871388 /nfs/dbraw/zinc/87/13/88/812871388.db2.gz SPBRZFPXOQLGGH-MRXNPFEDSA-N 2 1 288.435 3.103 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124713 812879010 /nfs/dbraw/zinc/87/90/10/812879010.db2.gz YNZSDOAZKCCRAZ-OAHLLOKOSA-N 2 1 276.424 3.177 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131241 812880276 /nfs/dbraw/zinc/88/02/76/812880276.db2.gz VPMUXTHBHIIWST-XETQRACLSA-N 2 1 252.446 3.430 20 0 CGADMP C[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC001205130920 812880372 /nfs/dbraw/zinc/88/03/72/812880372.db2.gz QATSVMSCRWLZMP-QFBILLFUSA-N 2 1 294.442 3.345 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001205164958 812894894 /nfs/dbraw/zinc/89/48/94/812894894.db2.gz YERWBZJMGWLJHA-DVOMOZLQSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC001205164958 812894904 /nfs/dbraw/zinc/89/49/04/812894904.db2.gz YERWBZJMGWLJHA-DVOMOZLQSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2sccc2Cl)CC1 ZINC001205265690 812921411 /nfs/dbraw/zinc/92/14/11/812921411.db2.gz QTBPNWZGPVDWBA-GFCCVEGCSA-N 2 1 258.818 3.105 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001205265690 812921416 /nfs/dbraw/zinc/92/14/16/812921416.db2.gz QTBPNWZGPVDWBA-GFCCVEGCSA-N 2 1 258.818 3.105 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC001205266446 812922088 /nfs/dbraw/zinc/92/20/88/812922088.db2.gz UUWMEIJXHUMWSH-MRXNPFEDSA-N 2 1 298.377 3.034 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@](C)([NH3+])CC3)ccc2n1 ZINC001205273121 812924842 /nfs/dbraw/zinc/92/48/42/812924842.db2.gz FLSJRPUDFGLPTD-SFHVURJKSA-N 2 1 283.419 3.247 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1C ZINC001205296125 812935494 /nfs/dbraw/zinc/93/54/94/812935494.db2.gz HMABQHBYBYQNKH-QGZVFWFLSA-N 2 1 276.424 3.097 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205303612 812942344 /nfs/dbraw/zinc/94/23/44/812942344.db2.gz IPEVLPYCMVUCSR-FZMZJTMJSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205303612 812942346 /nfs/dbraw/zinc/94/23/46/812942346.db2.gz IPEVLPYCMVUCSR-FZMZJTMJSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205317968 812950457 /nfs/dbraw/zinc/95/04/57/812950457.db2.gz RBIXNAZHDXELQU-SMDDNHRTSA-N 2 1 280.843 3.374 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318207 812950616 /nfs/dbraw/zinc/95/06/16/812950616.db2.gz SUVVQYZSEVUSCM-TZMCWYRMSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205317325 812950769 /nfs/dbraw/zinc/95/07/69/812950769.db2.gz NSFPDUXBQLBWRC-SMDDNHRTSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205317325 812950775 /nfs/dbraw/zinc/95/07/75/812950775.db2.gz NSFPDUXBQLBWRC-SMDDNHRTSA-N 2 1 266.816 3.065 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318102 812951051 /nfs/dbraw/zinc/95/10/51/812951051.db2.gz RRTHZDMFALIZSZ-KDOFPFPSSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)C[C@H]1C[NH3+] ZINC001205319093 812951912 /nfs/dbraw/zinc/95/19/12/812951912.db2.gz YRFHOWIGBGEIOT-UKRRQHHQSA-N 2 1 286.394 3.396 20 0 CGADMP c1c(C[N@H+]2CC[C@@H](c3ccccc3)C2)sc2c1CC[NH2+]C2 ZINC001205339693 812962914 /nfs/dbraw/zinc/96/29/14/812962914.db2.gz LKPNNLOWLFITFC-MRXNPFEDSA-N 2 1 298.455 3.383 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001205559138 813003282 /nfs/dbraw/zinc/00/32/82/813003282.db2.gz ODNFYYJYVMFJLA-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205571911 813007699 /nfs/dbraw/zinc/00/76/99/813007699.db2.gz ZHPVYKJQIWDFSE-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)s1 ZINC001205570391 813007803 /nfs/dbraw/zinc/00/78/03/813007803.db2.gz JTAPECNMBAMGOB-ZDUSSCGKSA-N 2 1 288.457 3.123 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2coc3ccccc23)CC1 ZINC001205571778 813008110 /nfs/dbraw/zinc/00/81/10/813008110.db2.gz XPWBXGXSBFVDKJ-INIZCTEOSA-N 2 1 276.355 3.086 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC001205602015 813017323 /nfs/dbraw/zinc/01/73/23/813017323.db2.gz HPXYDDMBPBYZOT-HOCLYGCPSA-N 2 1 278.415 3.065 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205603101 813018870 /nfs/dbraw/zinc/01/88/70/813018870.db2.gz NRCWYRQSFRQVSU-RHSMWYFYSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)CC[C@H]1C[NH3+] ZINC001205603140 813020224 /nfs/dbraw/zinc/02/02/24/813020224.db2.gz NWLDBEHPKYLSKH-CABCVRRESA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205604799 813020647 /nfs/dbraw/zinc/02/06/47/813020647.db2.gz XFMHTVBJZVJLJK-HOTGVXAUSA-N 2 1 260.425 3.110 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618495 813028040 /nfs/dbraw/zinc/02/80/40/813028040.db2.gz WPPUOWUWXRPQJF-HOTGVXAUSA-N 2 1 290.451 3.281 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205618334 813028478 /nfs/dbraw/zinc/02/84/78/813028478.db2.gz UVYSSKMZLKZBSI-DOTOQJQBSA-N 2 1 290.451 3.281 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618494 813028924 /nfs/dbraw/zinc/02/89/24/813028924.db2.gz WPPUOWUWXRPQJF-CVEARBPZSA-N 2 1 290.451 3.281 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205626456 813031882 /nfs/dbraw/zinc/03/18/82/813031882.db2.gz GIUVEWBRZTZSSX-QAPCUYQASA-N 2 1 274.452 3.446 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205627189 813032225 /nfs/dbraw/zinc/03/22/25/813032225.db2.gz NSRSBCUDASHLCZ-AAEUAGOBSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(F)c1F ZINC001205625207 813033365 /nfs/dbraw/zinc/03/33/65/813033365.db2.gz ACCGZIGSPFVUSK-SMDDNHRTSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205629440 813033793 /nfs/dbraw/zinc/03/37/93/813033793.db2.gz YWCHQPIXLOSQKT-TZMCWYRMSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Cl ZINC001205627979 813034263 /nfs/dbraw/zinc/03/42/63/813034263.db2.gz TVLWZHNSFGOMNW-WFASDCNBSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3c2CCCC3)CC[C@@H]1C[NH3+] ZINC001205639112 813038765 /nfs/dbraw/zinc/03/87/65/813038765.db2.gz VXQZHQRRZPXNMO-DOTOQJQBSA-N 2 1 286.463 3.372 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c3ccoc32)CC[C@@H]1C[NH3+] ZINC001205651831 813041798 /nfs/dbraw/zinc/04/17/98/813041798.db2.gz KFWFJSDCVVMVPH-QWHCGFSZSA-N 2 1 290.382 3.379 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651966 813043011 /nfs/dbraw/zinc/04/30/11/813043011.db2.gz MPHOWJANIVIFJX-JSGCOSHPSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(O)cc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205654911 813044685 /nfs/dbraw/zinc/04/46/85/813044685.db2.gz YCWAVRJPCYEDHW-GOEBONIOSA-N 2 1 298.430 3.352 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205734638 813063772 /nfs/dbraw/zinc/06/37/72/813063772.db2.gz GBYZWJMFTQTQDC-UONOGXRCSA-N 2 1 274.399 3.285 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205778899 813074592 /nfs/dbraw/zinc/07/45/92/813074592.db2.gz IDLBFHWDSMOFEL-HNNXBMFYSA-N 2 1 282.378 3.055 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205778899 813074608 /nfs/dbraw/zinc/07/46/08/813074608.db2.gz IDLBFHWDSMOFEL-HNNXBMFYSA-N 2 1 282.378 3.055 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205881372 813117608 /nfs/dbraw/zinc/11/76/08/813117608.db2.gz ZLROMCUBYVCKQC-ABAIWWIYSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205881372 813117613 /nfs/dbraw/zinc/11/76/13/813117613.db2.gz ZLROMCUBYVCKQC-ABAIWWIYSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)c21 ZINC001205903860 813126522 /nfs/dbraw/zinc/12/65/22/813126522.db2.gz RINHHBMWEPFFPO-ZIAGYGMSSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1-n1cccc1 ZINC001205913047 813129323 /nfs/dbraw/zinc/12/93/23/813129323.db2.gz GKYNJHLJRMTGET-CVEARBPZSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC001205912735 813129398 /nfs/dbraw/zinc/12/93/98/813129398.db2.gz BWMMFIFMWTVPBL-CXAGYDPISA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2sccc21 ZINC001205915693 813131425 /nfs/dbraw/zinc/13/14/25/813131425.db2.gz QHGZAKHGFKGGCW-OLZOCXBDSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205915500 813131784 /nfs/dbraw/zinc/13/17/84/813131784.db2.gz PLHDCQDZKRNGQT-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205915500 813131790 /nfs/dbraw/zinc/13/17/90/813131790.db2.gz PLHDCQDZKRNGQT-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923100 813135185 /nfs/dbraw/zinc/13/51/85/813135185.db2.gz IPYSTFWKHXBDEJ-KGLIPLIRSA-N 2 1 278.465 3.358 20 0 CGADMP C[C@H]1C[N@@H+](CCc2ccc(Cl)cc2)CCC[C@H]1C[NH3+] ZINC001205983194 813151869 /nfs/dbraw/zinc/15/18/69/813151869.db2.gz OGPIBHBGIMEPJW-ZFWWWQNUSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)CCC[C@H]1C[NH3+] ZINC001205984730 813152970 /nfs/dbraw/zinc/15/29/70/813152970.db2.gz UPUOVHIIYPICJG-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205995333 813156524 /nfs/dbraw/zinc/15/65/24/813156524.db2.gz NQMNZPDWSYAQJA-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001205996807 813158496 /nfs/dbraw/zinc/15/84/96/813158496.db2.gz YQRZUFUTQNCIST-DOTOQJQBSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206004561 813161698 /nfs/dbraw/zinc/16/16/98/813161698.db2.gz UBGPBVOQEWPIBH-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001206011201 813163827 /nfs/dbraw/zinc/16/38/27/813163827.db2.gz AOWBHTKSQNCKNJ-DOMZBBRYSA-N 2 1 282.378 3.431 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC001206012414 813164829 /nfs/dbraw/zinc/16/48/29/813164829.db2.gz LFSVGIMVYKHFQR-CHWSQXEVSA-N 2 1 266.454 3.117 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206024144 813168525 /nfs/dbraw/zinc/16/85/25/813168525.db2.gz IAWNCZRYNOACCC-HIFRSBDPSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)CCC[C@H]1C[NH3+] ZINC001206024153 813168778 /nfs/dbraw/zinc/16/87/78/813168778.db2.gz IIDWLHNDYKANOA-HOCLYGCPSA-N 2 1 299.418 3.148 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206035151 813176130 /nfs/dbraw/zinc/17/61/30/813176130.db2.gz BWPJPXJLIUQOOX-HZPDHXFCSA-N 2 1 290.451 3.201 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001206084556 813194316 /nfs/dbraw/zinc/19/43/16/813194316.db2.gz LXCCGTJGEQMTKL-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001206084556 813194322 /nfs/dbraw/zinc/19/43/22/813194322.db2.gz LXCCGTJGEQMTKL-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP N[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC[C@H]1F ZINC001206153706 813214727 /nfs/dbraw/zinc/21/47/27/813214727.db2.gz FDLQTANCFOYSDC-LCGIIJARSA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC[C@H]1F ZINC001206153706 813214731 /nfs/dbraw/zinc/21/47/31/813214731.db2.gz FDLQTANCFOYSDC-LCGIIJARSA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC[C@H]1F ZINC001206153706 813214735 /nfs/dbraw/zinc/21/47/35/813214735.db2.gz FDLQTANCFOYSDC-LCGIIJARSA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC[C@H]1F ZINC001206163987 813221329 /nfs/dbraw/zinc/22/13/29/813221329.db2.gz ILABWTSIWHWMHP-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC[C@H]1F ZINC001206163987 813221336 /nfs/dbraw/zinc/22/13/36/813221336.db2.gz ILABWTSIWHWMHP-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206189819 813233692 /nfs/dbraw/zinc/23/36/92/813233692.db2.gz XQWYINRZJIEQFJ-DLBZAZTESA-N 2 1 278.415 3.290 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1OC(C)C ZINC001206197769 813236766 /nfs/dbraw/zinc/23/67/66/813236766.db2.gz JFXXHNOWVLSUPA-HOTGVXAUSA-N 2 1 294.414 3.043 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001206263369 813262174 /nfs/dbraw/zinc/26/21/74/813262174.db2.gz VFUPZVHMCSVHMB-AWEZNQCLSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001206263369 813262176 /nfs/dbraw/zinc/26/21/76/813262176.db2.gz VFUPZVHMCSVHMB-AWEZNQCLSA-N 2 1 258.409 3.138 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c2ccccc12 ZINC001206269083 813264383 /nfs/dbraw/zinc/26/43/83/813264383.db2.gz AFUYRSCCIRRNEM-AWEZNQCLSA-N 2 1 268.404 3.190 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001206276029 813267120 /nfs/dbraw/zinc/26/71/20/813267120.db2.gz ANUVKSKRGVKABZ-INIZCTEOSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001206277272 813268916 /nfs/dbraw/zinc/26/89/16/813268916.db2.gz QFDYOQANJFIIRJ-QGZVFWFLSA-N 2 1 294.442 3.319 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001206277272 813268923 /nfs/dbraw/zinc/26/89/23/813268923.db2.gz QFDYOQANJFIIRJ-QGZVFWFLSA-N 2 1 294.442 3.319 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206296400 813276997 /nfs/dbraw/zinc/27/69/97/813276997.db2.gz SFSAZKDXYWYHSY-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206305392 813282161 /nfs/dbraw/zinc/28/21/61/813282161.db2.gz YFNJLPCPEWLLBX-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)nc1C ZINC001206334917 813293183 /nfs/dbraw/zinc/29/31/83/813293183.db2.gz ASVFJTPZGYRMMD-INIZCTEOSA-N 2 1 295.858 3.303 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001206336090 813293746 /nfs/dbraw/zinc/29/37/46/813293746.db2.gz JZDRJTOYXBOGPS-ARFHVFGLSA-N 2 1 268.420 3.132 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001206336090 813293751 /nfs/dbraw/zinc/29/37/51/813293751.db2.gz JZDRJTOYXBOGPS-ARFHVFGLSA-N 2 1 268.420 3.132 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001206541783 813343647 /nfs/dbraw/zinc/34/36/47/813343647.db2.gz KGCVVEUERXTIKH-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)c1 ZINC001206556910 813352035 /nfs/dbraw/zinc/35/20/35/813352035.db2.gz ZVJCFUIFAGHQJB-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cccc(F)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206597353 813369121 /nfs/dbraw/zinc/36/91/21/813369121.db2.gz ARUIJWALWLNNLW-OAHLLOKOSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2c1NCC2)[C@@H]1CCC[NH2+]CC1 ZINC001206599063 813370272 /nfs/dbraw/zinc/37/02/72/813370272.db2.gz NBOISCGNXQJGAD-QGZVFWFLSA-N 2 1 287.451 3.007 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632684 813381443 /nfs/dbraw/zinc/38/14/43/813381443.db2.gz NRKVSYBRFLWQQV-HNNXBMFYSA-N 2 1 260.425 3.371 20 0 CGADMP CCc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1Cl ZINC001206640666 813384132 /nfs/dbraw/zinc/38/41/32/813384132.db2.gz KOCLZVXSWSFOKT-AWEZNQCLSA-N 2 1 280.843 3.463 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640855 813384657 /nfs/dbraw/zinc/38/46/57/813384657.db2.gz OBUBFPITPLIWGD-CQSZACIVSA-N 2 1 264.388 3.003 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206646890 813385430 /nfs/dbraw/zinc/38/54/30/813385430.db2.gz DXKMXMQVQKRGHT-CQSZACIVSA-N 2 1 278.465 3.359 20 0 CGADMP Cc1c(C)c(C)c(C[NH+]2CC(C)(C[NH3+])C2)c(C)c1C ZINC001206729397 813409380 /nfs/dbraw/zinc/40/93/80/813409380.db2.gz FQSYGRICDHTVTI-UHFFFAOYSA-N 2 1 260.425 3.009 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccc(F)cc1Cl ZINC001206760891 813426038 /nfs/dbraw/zinc/42/60/38/813426038.db2.gz NCYVYIWWUMEWLS-VXGBXAGGSA-N 2 1 284.806 3.081 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206767623 813430695 /nfs/dbraw/zinc/43/06/95/813430695.db2.gz CNPSOOUHUFIKCW-RDJZCZTQSA-N 2 1 290.451 3.281 20 0 CGADMP CC[N@H+](Cc1ccc(C)c(C)c1)CC1CC[NH+](C)CC1 ZINC001207399204 813556725 /nfs/dbraw/zinc/55/67/25/813556725.db2.gz HUIREROGEFHVLP-UHFFFAOYSA-N 2 1 274.452 3.467 20 0 CGADMP Clc1cccc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC001207438598 813565864 /nfs/dbraw/zinc/56/58/64/813565864.db2.gz BDPBJJYFRQNKGK-HNNXBMFYSA-N 2 1 278.827 3.129 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001207484825 813572445 /nfs/dbraw/zinc/57/24/45/813572445.db2.gz NPDTVJDEBIKOHL-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)cn1 ZINC001207486240 813572966 /nfs/dbraw/zinc/57/29/66/813572966.db2.gz FDROPRMYWFWLLM-GOSISDBHSA-N 2 1 287.451 3.259 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC001207479788 813573224 /nfs/dbraw/zinc/57/32/24/813573224.db2.gz NVDQCVHUWISWNA-SFHVURJKSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC(CC[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC001207487173 813573840 /nfs/dbraw/zinc/57/38/40/813573840.db2.gz RLDPXEQOKUFVNP-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001208105740 813692782 /nfs/dbraw/zinc/69/27/82/813692782.db2.gz BFPLINITADOHRN-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC001208159279 813716164 /nfs/dbraw/zinc/71/61/64/813716164.db2.gz BKOAUNCAGQNXIS-CQSZACIVSA-N 2 1 278.440 3.498 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC001208159279 813716170 /nfs/dbraw/zinc/71/61/70/813716170.db2.gz BKOAUNCAGQNXIS-CQSZACIVSA-N 2 1 278.440 3.498 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC(C)=C[C@H]3C)C[C@@H]2C1 ZINC001208172095 813725876 /nfs/dbraw/zinc/72/58/76/813725876.db2.gz YOKKARSYJCYZMK-XDNAFOTISA-N 2 1 276.468 3.252 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC(C)=C[C@H]3C)C[C@@H]2C1 ZINC001208172095 813725880 /nfs/dbraw/zinc/72/58/80/813725880.db2.gz YOKKARSYJCYZMK-XDNAFOTISA-N 2 1 276.468 3.252 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC(C)=C[C@H]3C)C[C@@H]2C1 ZINC001208172095 813725883 /nfs/dbraw/zinc/72/58/83/813725883.db2.gz YOKKARSYJCYZMK-XDNAFOTISA-N 2 1 276.468 3.252 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)CCc2ccccc2)CCCC1 ZINC001208182414 813733168 /nfs/dbraw/zinc/73/31/68/813733168.db2.gz QTYUIVHTBDDIHL-UHFFFAOYSA-N 2 1 274.452 3.283 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001208605084 813770570 /nfs/dbraw/zinc/77/05/70/813770570.db2.gz YLGIQDJWPJRZHL-INIZCTEOSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001208605084 813770574 /nfs/dbraw/zinc/77/05/74/813770574.db2.gz YLGIQDJWPJRZHL-INIZCTEOSA-N 2 1 264.457 3.375 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC001208602115 813771658 /nfs/dbraw/zinc/77/16/58/813771658.db2.gz YJBCEJSYZVASGU-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208609005 813774947 /nfs/dbraw/zinc/77/49/47/813774947.db2.gz SJHZLTSQQMUVRF-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208609005 813774953 /nfs/dbraw/zinc/77/49/53/813774953.db2.gz SJHZLTSQQMUVRF-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208609005 813774959 /nfs/dbraw/zinc/77/49/59/813774959.db2.gz SJHZLTSQQMUVRF-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208609005 813774967 /nfs/dbraw/zinc/77/49/67/813774967.db2.gz SJHZLTSQQMUVRF-YJBOKZPZSA-N 2 1 288.435 3.174 20 0 CGADMP C[C@H](CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)CC(C)(C)C ZINC001208655639 813782766 /nfs/dbraw/zinc/78/27/66/813782766.db2.gz RWFAOWJHPSNGOW-OAGGEKHMSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)CC(C)(C)C ZINC001208655639 813782771 /nfs/dbraw/zinc/78/27/71/813782771.db2.gz RWFAOWJHPSNGOW-OAGGEKHMSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)CC(C)(C)C ZINC001208655639 813782774 /nfs/dbraw/zinc/78/27/74/813782774.db2.gz RWFAOWJHPSNGOW-OAGGEKHMSA-N 2 1 266.473 3.332 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CC2(C)CCCCC2)CC1 ZINC001208907491 813894979 /nfs/dbraw/zinc/89/49/79/813894979.db2.gz JXADBUMRGPJNID-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)[N@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208928455 813902205 /nfs/dbraw/zinc/90/22/05/813902205.db2.gz INEUHJDMWPHDDI-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208928455 813902211 /nfs/dbraw/zinc/90/22/11/813902211.db2.gz INEUHJDMWPHDDI-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208928455 813902216 /nfs/dbraw/zinc/90/22/16/813902216.db2.gz INEUHJDMWPHDDI-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208928455 813902222 /nfs/dbraw/zinc/90/22/22/813902222.db2.gz INEUHJDMWPHDDI-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208948280 813908258 /nfs/dbraw/zinc/90/82/58/813908258.db2.gz PJUARDSJTAHKTJ-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208948280 813908263 /nfs/dbraw/zinc/90/82/63/813908263.db2.gz PJUARDSJTAHKTJ-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208948280 813908267 /nfs/dbraw/zinc/90/82/67/813908267.db2.gz PJUARDSJTAHKTJ-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208948280 813908271 /nfs/dbraw/zinc/90/82/71/813908271.db2.gz PJUARDSJTAHKTJ-KRWDZBQOSA-N 2 1 260.425 3.239 20 0 CGADMP C[N@H+](CCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209255608 813984545 /nfs/dbraw/zinc/98/45/45/813984545.db2.gz DBWXKHCNITWFFJ-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP C[N@@H+](CCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209255608 813984550 /nfs/dbraw/zinc/98/45/50/813984550.db2.gz DBWXKHCNITWFFJ-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1C ZINC001209448086 814045842 /nfs/dbraw/zinc/04/58/42/814045842.db2.gz MLZIYBAPXVWBGE-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001209451385 814047108 /nfs/dbraw/zinc/04/71/08/814047108.db2.gz XBNJRFIVKXHMBY-SJORKVTESA-N 2 1 264.457 3.375 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222142223 816360169 /nfs/dbraw/zinc/36/01/69/816360169.db2.gz XYBIKRBFSPWCIJ-SJLPKXTDSA-N 2 1 296.499 3.029 20 0 CGADMP CCOC(C)(C)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161912 816366578 /nfs/dbraw/zinc/36/65/78/816366578.db2.gz SWJQNPQUKDHRBZ-KRWDZBQOSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222161375 816366910 /nfs/dbraw/zinc/36/69/10/816366910.db2.gz MYAMDSBNRCPYKX-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP Nc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167749 816367353 /nfs/dbraw/zinc/36/73/53/816367353.db2.gz QBLGTGPCBATONF-SFHVURJKSA-N 2 1 287.451 3.015 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001222236889 816381126 /nfs/dbraw/zinc/38/11/26/816381126.db2.gz CPUYNCGLMDMNBQ-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001222236889 816381134 /nfs/dbraw/zinc/38/11/34/816381134.db2.gz CPUYNCGLMDMNBQ-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)s1 ZINC001222595990 816475310 /nfs/dbraw/zinc/47/53/10/816475310.db2.gz NMQIESCPMDWWGP-QGZVFWFLSA-N 2 1 298.455 3.246 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c2ccccc12 ZINC001222620461 816480725 /nfs/dbraw/zinc/48/07/25/816480725.db2.gz TXFLTZPCWHCVSW-KBXCAEBGSA-N 2 1 296.414 3.032 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1Cl ZINC001222634935 816486081 /nfs/dbraw/zinc/48/60/81/816486081.db2.gz JLKUDNMYLUCJNF-GASCZTMLSA-N 2 1 292.854 3.388 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCC3)CC2)cc1C ZINC001231486941 818111575 /nfs/dbraw/zinc/11/15/75/818111575.db2.gz RLWXGSJHMIHFMX-UHFFFAOYSA-N 2 1 272.436 3.282 20 0 CGADMP CCc1ccc(CN2CCC([N@H+](C)CC)CC2)s1 ZINC001231503189 818116286 /nfs/dbraw/zinc/11/62/86/818116286.db2.gz SEDSTNCINXCDFA-UHFFFAOYSA-N 2 1 266.454 3.227 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001232014924 818232703 /nfs/dbraw/zinc/23/27/03/818232703.db2.gz YHEWSXIKFHJKEA-QGZVFWFLSA-N 2 1 292.386 3.165 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C2(CC2)C1 ZINC001232148364 818263640 /nfs/dbraw/zinc/26/36/40/818263640.db2.gz CGHXGLSLMWEHOS-CYBMUJFWSA-N 2 1 276.399 3.262 20 0 CGADMP CC1CC([N@@H+](C)Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232144943 818264345 /nfs/dbraw/zinc/26/43/45/818264345.db2.gz PATYVWVPXLPQBA-UHFFFAOYSA-N 2 1 264.388 3.118 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(F)(F)CC2)c1 ZINC001232143976 818264494 /nfs/dbraw/zinc/26/44/94/818264494.db2.gz JKTZSEXPWNPPPL-UHFFFAOYSA-N 2 1 286.341 3.118 20 0 CGADMP c1cc(C[NH+]2CCC([NH+]3CCC3)CC2)c2c(c1)CCCC2 ZINC001232640691 818408683 /nfs/dbraw/zinc/40/86/83/818408683.db2.gz QMEMWNKBAURGQO-UHFFFAOYSA-N 2 1 284.447 3.236 20 0 CGADMP CC[N@@H+](Cc1ccccc1-n1cccc1)C1CCN(C)CC1 ZINC001232910359 818472490 /nfs/dbraw/zinc/47/24/90/818472490.db2.gz JOYGAGJUUCENSS-UHFFFAOYSA-N 2 1 297.446 3.393 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992144 818970141 /nfs/dbraw/zinc/97/01/41/818970141.db2.gz JCCIAZRAKWGQSP-CVEARBPZSA-N 2 1 252.446 3.278 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235001671 818974723 /nfs/dbraw/zinc/97/47/23/818974723.db2.gz UQDKOULORBFAGA-LJQANCHMSA-N 2 1 286.463 3.461 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024868 818980589 /nfs/dbraw/zinc/98/05/89/818980589.db2.gz QUVSQFGTDBFZAS-UHFFFAOYSA-N 2 1 272.417 3.005 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001235092164 818999861 /nfs/dbraw/zinc/99/98/61/818999861.db2.gz GNFCOIJBKRIQPT-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP c1cc(C2CCC2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001235110066 819005761 /nfs/dbraw/zinc/00/57/61/819005761.db2.gz IBQFWNNLOUKWIH-UHFFFAOYSA-N 2 1 270.420 3.282 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235139877 819014882 /nfs/dbraw/zinc/01/48/82/819014882.db2.gz FBSSOYLXKKRYOS-UHFFFAOYSA-N 2 1 258.409 3.021 20 0 CGADMP CCOc1cc(C[N@H+]2CCCC23CC[NH2+]CC3)ccc1C ZINC001235145377 819015453 /nfs/dbraw/zinc/01/54/53/819015453.db2.gz VBOGYNNJJTYEMX-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP CCC(CC)C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151975 819017667 /nfs/dbraw/zinc/01/76/67/819017667.db2.gz KWWQNPPPCZVWAI-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235161490 819020010 /nfs/dbraw/zinc/02/00/10/819020010.db2.gz RYIBLVUOBWICFV-SFHVURJKSA-N 2 1 290.426 3.488 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc2c1CCN2 ZINC001235157872 819020152 /nfs/dbraw/zinc/02/01/52/819020152.db2.gz SIIXINQVORYPBY-IBGZPJMESA-N 2 1 299.462 3.009 20 0 CGADMP c1cc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cs1 ZINC001235183646 819027805 /nfs/dbraw/zinc/02/78/05/819027805.db2.gz DGQJMLGWWKUNOG-AEFFLSMTSA-N 2 1 298.455 3.456 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001235238851 819045038 /nfs/dbraw/zinc/04/50/38/819045038.db2.gz BCXOCQRLTPEZJV-GDBMZVCRSA-N 2 1 278.827 3.086 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc3c(F)cccc13)C2 ZINC001235247215 819047077 /nfs/dbraw/zinc/04/70/77/819047077.db2.gz AHIFZPMWPUSTJV-RDTXWAMCSA-N 2 1 284.378 3.292 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3c(F)cccc13)C2 ZINC001235247215 819047081 /nfs/dbraw/zinc/04/70/81/819047081.db2.gz AHIFZPMWPUSTJV-RDTXWAMCSA-N 2 1 284.378 3.292 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])cc2)o1 ZINC001235257192 819053645 /nfs/dbraw/zinc/05/36/45/819053645.db2.gz WQRGZFWXHTVHKY-ULQDDVLXSA-N 2 1 282.387 3.177 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235260981 819056344 /nfs/dbraw/zinc/05/63/44/819056344.db2.gz OQSZIKGRLXMBOI-AYOQOUSVSA-N 2 1 286.463 3.282 20 0 CGADMP CCCCOc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235271836 819058984 /nfs/dbraw/zinc/05/89/84/819058984.db2.gz PEXMVAAZNKEODX-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235271836 819058993 /nfs/dbraw/zinc/05/89/93/819058993.db2.gz PEXMVAAZNKEODX-FUHWJXTLSA-N 2 1 288.435 3.049 20 0 CGADMP c1csc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235351512 819076835 /nfs/dbraw/zinc/07/68/35/819076835.db2.gz QMPQNOBZQFWCJY-QZTJIDSGSA-N 2 1 298.455 3.327 20 0 CGADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](CC2CCC2)CC3)cc1 ZINC001235362807 819079340 /nfs/dbraw/zinc/07/93/40/819079340.db2.gz NVKCPVORPRLNPT-MOPGFXCFSA-N 2 1 284.447 3.040 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](CC2CCCC2)C3)cc1 ZINC001235380124 819081499 /nfs/dbraw/zinc/08/14/99/819081499.db2.gz SKSHSDGTEWSGJY-MOPGFXCFSA-N 2 1 284.447 3.256 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235400432 819084310 /nfs/dbraw/zinc/08/43/10/819084310.db2.gz CXOVVLLSYMHSOZ-RTBURBONSA-N 2 1 298.405 3.363 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405134 819087087 /nfs/dbraw/zinc/08/70/87/819087087.db2.gz NVIVULBLSGKFOB-HOTGVXAUSA-N 2 1 296.817 3.172 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405134 819087092 /nfs/dbraw/zinc/08/70/92/819087092.db2.gz NVIVULBLSGKFOB-HOTGVXAUSA-N 2 1 296.817 3.172 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426627 819092632 /nfs/dbraw/zinc/09/26/32/819092632.db2.gz OSPAVKCZHORIJE-HFZJXRFXSA-N 2 1 250.430 3.054 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1CCC2 ZINC001235427434 819094920 /nfs/dbraw/zinc/09/49/20/819094920.db2.gz RZADRJXTCZMBRR-WOJBJXKFSA-N 2 1 298.474 3.387 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+](C)CCC[NH3+])c2)cc1 ZINC001235435807 819099412 /nfs/dbraw/zinc/09/94/12/819099412.db2.gz ZOGHADYQMWHREA-UHFFFAOYSA-N 2 1 268.404 3.443 20 0 CGADMP C[N@@H+](CCCc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235669855 819133149 /nfs/dbraw/zinc/13/31/49/819133149.db2.gz LFUQQOMFYAQBKV-UHFFFAOYSA-N 2 1 294.442 3.397 20 0 CGADMP CC[C@@H]([NH3+])C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001235676683 819137558 /nfs/dbraw/zinc/13/75/58/819137558.db2.gz UHYKIGAODMMOLV-QGZVFWFLSA-N 2 1 260.425 3.069 20 0 CGADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001235680644 819139872 /nfs/dbraw/zinc/13/98/72/819139872.db2.gz VOBXFZYRBMUNQY-PBHICJAKSA-N 2 1 276.399 3.352 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001235695654 819144968 /nfs/dbraw/zinc/14/49/68/819144968.db2.gz YHKVUQWOXFISGF-NWDGAFQWSA-N 2 1 264.438 3.014 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001235726060 819155203 /nfs/dbraw/zinc/15/52/03/819155203.db2.gz MDHIIOIWUQKIRI-CRAIPNDOSA-N 2 1 288.435 3.222 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001235797425 819170873 /nfs/dbraw/zinc/17/08/73/819170873.db2.gz WPGDWZXWVLNOGQ-UHFFFAOYSA-N 2 1 258.409 3.138 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C1(C)C ZINC001235811474 819173542 /nfs/dbraw/zinc/17/35/42/819173542.db2.gz QSVFGZMVYJWPQT-JONQDZQNSA-N 2 1 262.441 3.323 20 0 CGADMP c1c(C[N@H+]2CCCc3ccccc3C2)sc2c1C[NH2+]CC2 ZINC001235834117 819179894 /nfs/dbraw/zinc/17/98/94/819179894.db2.gz LODPEWJRRJBEMU-UHFFFAOYSA-N 2 1 298.455 3.342 20 0 CGADMP C[N@H+](Cc1ccc(Cc2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235840792 819182031 /nfs/dbraw/zinc/18/20/31/819182031.db2.gz AJPSIHAVHMQXAX-HXUWFJFHSA-N 2 1 294.442 3.319 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001235864468 819189778 /nfs/dbraw/zinc/18/97/78/819189778.db2.gz HQWDAYGOHIDWKM-INIZCTEOSA-N 2 1 296.455 3.435 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001235925118 819222834 /nfs/dbraw/zinc/22/28/34/819222834.db2.gz BCFHGZGVCUCZQX-AWEZNQCLSA-N 2 1 260.406 3.215 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c(Br)c1 ZINC001235924913 819223632 /nfs/dbraw/zinc/22/36/32/819223632.db2.gz BYMYZDASDOFDKX-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c(Br)c1 ZINC001235924913 819223638 /nfs/dbraw/zinc/22/36/38/819223638.db2.gz BYMYZDASDOFDKX-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235935285 819231283 /nfs/dbraw/zinc/23/12/83/819231283.db2.gz DGNILZJHOFKNMX-TZMCWYRMSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235935285 819231289 /nfs/dbraw/zinc/23/12/89/819231289.db2.gz DGNILZJHOFKNMX-TZMCWYRMSA-N 2 1 298.352 3.055 20 0 CGADMP Clc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235939481 819234019 /nfs/dbraw/zinc/23/40/19/819234019.db2.gz DTJKRXDAYBWESL-ZDUSSCGKSA-N 2 1 278.827 3.088 20 0 CGADMP Cc1c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cccc1C(F)(F)F ZINC001235941609 819234859 /nfs/dbraw/zinc/23/48/59/819234859.db2.gz WEIMWQPNRKOXFN-KGLIPLIRSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cccc1C(F)(F)F ZINC001235941609 819234864 /nfs/dbraw/zinc/23/48/64/819234864.db2.gz WEIMWQPNRKOXFN-KGLIPLIRSA-N 2 1 298.352 3.055 20 0 CGADMP COCC[N@@H+](CCCC1CCCCC1)C1CC[NH2+]CC1 ZINC001235947231 819236198 /nfs/dbraw/zinc/23/61/98/819236198.db2.gz ZBRXVODFMGLMHB-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235951369 819241905 /nfs/dbraw/zinc/24/19/05/819241905.db2.gz RLLGNBPJUWVWAW-JKSUJKDBSA-N 2 1 252.446 3.300 20 0 CGADMP C[N@@H+](Cc1cc2cc(Cl)ccc2[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC001235950458 819242162 /nfs/dbraw/zinc/24/21/62/819242162.db2.gz HGKPEIZDQBGPRZ-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1cc2cc(Cl)ccc2[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC001235950458 819242167 /nfs/dbraw/zinc/24/21/67/819242167.db2.gz HGKPEIZDQBGPRZ-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP c1c(C[N@H+]2CCCCC23CC3)c2cccc3c2n1CC[NH2+]C3 ZINC001235960136 819247018 /nfs/dbraw/zinc/24/70/18/819247018.db2.gz OLSVDTSSKDCYDQ-UHFFFAOYSA-N 2 1 295.430 3.263 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959228 819247161 /nfs/dbraw/zinc/24/71/61/819247161.db2.gz JBBFRMNEQVNSBM-HGKCTWBKSA-N 2 1 280.415 3.317 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001235959761 819247196 /nfs/dbraw/zinc/24/71/96/819247196.db2.gz KDALTKNZPZGAQX-KRWDZBQOSA-N 2 1 260.425 3.385 20 0 CGADMP CCC(CC)[N@@H+](C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235959364 819247891 /nfs/dbraw/zinc/24/78/91/819247891.db2.gz IBQIRBWFHHNEDZ-UHFFFAOYSA-N 2 1 285.435 3.365 20 0 CGADMP c1ccc(C2=CC[N@H+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235962125 819251291 /nfs/dbraw/zinc/25/12/91/819251291.db2.gz JTELZZNJNZZDEE-GOSISDBHSA-N 2 1 270.420 3.308 20 0 CGADMP c1ccc(C2=CC[N@@H+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235962125 819251297 /nfs/dbraw/zinc/25/12/97/819251297.db2.gz JTELZZNJNZZDEE-GOSISDBHSA-N 2 1 270.420 3.308 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235979982 819256425 /nfs/dbraw/zinc/25/64/25/819256425.db2.gz PFPLNYVDDFPZBH-HUUCEWRRSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235979982 819256432 /nfs/dbraw/zinc/25/64/32/819256432.db2.gz PFPLNYVDDFPZBH-HUUCEWRRSA-N 2 1 298.352 3.061 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC001235990943 819262678 /nfs/dbraw/zinc/26/26/78/819262678.db2.gz FAYMWMKDXJZTKJ-XJKSGUPXSA-N 2 1 294.389 3.142 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001235990943 819262683 /nfs/dbraw/zinc/26/26/83/819262683.db2.gz FAYMWMKDXJZTKJ-XJKSGUPXSA-N 2 1 294.389 3.142 20 0 CGADMP CC[N@H+](Cc1cccc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC001236008633 819272535 /nfs/dbraw/zinc/27/25/35/819272535.db2.gz HESRCNXUVHKTPI-CQSZACIVSA-N 2 1 274.433 3.475 20 0 CGADMP CC[N@@H+](Cc1cccc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC001236008633 819272541 /nfs/dbraw/zinc/27/25/41/819272541.db2.gz HESRCNXUVHKTPI-CQSZACIVSA-N 2 1 274.433 3.475 20 0 CGADMP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@H+](CCCC2CCCC2)C3)cc1 ZINC001236011607 819274970 /nfs/dbraw/zinc/27/49/70/819274970.db2.gz APSVGEMMYWMXEW-UXHICEINSA-N 2 1 298.474 3.430 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1cccc(F)c1 ZINC001236043287 819280898 /nfs/dbraw/zinc/28/08/98/819280898.db2.gz YMCHVRGNWOQVLP-UHFFFAOYSA-N 2 1 284.378 3.451 20 0 CGADMP Clc1ccc2c(c1)C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001236071212 819300541 /nfs/dbraw/zinc/30/05/41/819300541.db2.gz GJNFSJSZMNLDME-UHFFFAOYSA-N 2 1 290.838 3.435 20 0 CGADMP CCc1cc(Br)ccc1C[N@@H+](C)CCCC[NH3+] ZINC001236142005 819342873 /nfs/dbraw/zinc/34/28/73/819342873.db2.gz QVXDHUUZKCFTPO-UHFFFAOYSA-N 2 1 299.256 3.182 20 0 CGADMP CCc1cc(C[N@@H+](C)CCCC[NH3+])ccc1Cl ZINC001236141834 819342785 /nfs/dbraw/zinc/34/27/85/819342785.db2.gz MKKISYHUXIJYHB-UHFFFAOYSA-N 2 1 254.805 3.073 20 0 CGADMP Cc1c(C)c(C[N@@H+](C)CCCC[NH3+])ccc1Cl ZINC001236141985 819342859 /nfs/dbraw/zinc/34/28/59/819342859.db2.gz QGVRNQOUJWHIAI-UHFFFAOYSA-N 2 1 254.805 3.128 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001236190344 819363110 /nfs/dbraw/zinc/36/31/10/819363110.db2.gz VZYYXGHBWREJGM-KSSFIOAISA-N 2 1 283.419 3.304 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236210333 819371657 /nfs/dbraw/zinc/37/16/57/819371657.db2.gz BNLABUBATIUOBB-WBVHZDCISA-N 2 1 271.408 3.178 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236210333 819371663 /nfs/dbraw/zinc/37/16/63/819371663.db2.gz BNLABUBATIUOBB-WBVHZDCISA-N 2 1 271.408 3.178 20 0 CGADMP CCOc1ccc(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236212875 819373922 /nfs/dbraw/zinc/37/39/22/819373922.db2.gz AFORJJKVIYBXBR-DLBZAZTESA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236212875 819373929 /nfs/dbraw/zinc/37/39/29/819373929.db2.gz AFORJJKVIYBXBR-DLBZAZTESA-N 2 1 276.424 3.095 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213663 819375525 /nfs/dbraw/zinc/37/55/25/819375525.db2.gz OJCCMGOOJSFMFH-RTBURBONSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213663 819375529 /nfs/dbraw/zinc/37/55/29/819375529.db2.gz OJCCMGOOJSFMFH-RTBURBONSA-N 2 1 295.430 3.450 20 0 CGADMP CCc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(CC)c1O ZINC001236214785 819378304 /nfs/dbraw/zinc/37/83/04/819378304.db2.gz FFBBHHCHSRYXCE-DLBZAZTESA-N 2 1 290.451 3.219 20 0 CGADMP CCc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(CC)c1O ZINC001236214785 819378313 /nfs/dbraw/zinc/37/83/13/819378313.db2.gz FFBBHHCHSRYXCE-DLBZAZTESA-N 2 1 290.451 3.219 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236217767 819383691 /nfs/dbraw/zinc/38/36/91/819383691.db2.gz QECMGUJSMKJLME-LSDHHAIUSA-N 2 1 266.454 3.402 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236217767 819383695 /nfs/dbraw/zinc/38/36/95/819383695.db2.gz QECMGUJSMKJLME-LSDHHAIUSA-N 2 1 266.454 3.402 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC001236217766 819384546 /nfs/dbraw/zinc/38/45/46/819384546.db2.gz QECMGUJSMKJLME-HUUCEWRRSA-N 2 1 266.454 3.402 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC001236217766 819384553 /nfs/dbraw/zinc/38/45/53/819384553.db2.gz QECMGUJSMKJLME-HUUCEWRRSA-N 2 1 266.454 3.402 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(C)c1C ZINC001236225691 819392338 /nfs/dbraw/zinc/39/23/38/819392338.db2.gz BVJQMCHOMBZLGN-UHFFFAOYSA-N 2 1 290.451 3.194 20 0 CGADMP c1ccc2c(c1)cccc2C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315246 819420664 /nfs/dbraw/zinc/42/06/64/819420664.db2.gz XOZOTFCKJQCWFV-CALCHBBNSA-N 2 1 280.415 3.271 20 0 CGADMP CCc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001236321294 819424681 /nfs/dbraw/zinc/42/46/81/819424681.db2.gz PIYSRAIZNBHQJG-IYBDPMFKSA-N 2 1 292.854 3.334 20 0 CGADMP FC(F)c1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321210 819424970 /nfs/dbraw/zinc/42/49/70/819424970.db2.gz YQFUTHBGAZSOIB-BETUJISGSA-N 2 1 280.362 3.056 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321266 819424991 /nfs/dbraw/zinc/42/49/91/819424991.db2.gz PECMRMOODCHLEW-HDICACEKSA-N 2 1 272.436 3.241 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236375475 819442979 /nfs/dbraw/zinc/44/29/79/819442979.db2.gz YLOOKUKXBGLXFD-MRXNPFEDSA-N 2 1 289.467 3.376 20 0 CGADMP CCCCOc1ccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236407549 819454284 /nfs/dbraw/zinc/45/42/84/819454284.db2.gz GOBOCKHPGWAMJG-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP CCc1cccc2c(C[N@@H+](CC)C[C@@H]3CC[NH2+]C3)c[nH]c21 ZINC001236408050 819455567 /nfs/dbraw/zinc/45/55/67/819455567.db2.gz KLRBHRIGNFIINL-CQSZACIVSA-N 2 1 285.435 3.162 20 0 CGADMP CC[N@H+](Cc1c(C)cc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236407991 819455949 /nfs/dbraw/zinc/45/59/49/819455949.db2.gz LLPXYNDKYCYIRK-MRXNPFEDSA-N 2 1 260.425 3.043 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001236409704 819458124 /nfs/dbraw/zinc/45/81/24/819458124.db2.gz CVABQXZCMHXSJK-BPQTVZERSA-N 2 1 280.415 3.093 20 0 CGADMP Cc1csc2sc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c(C)c12 ZINC001236416619 819462102 /nfs/dbraw/zinc/46/21/02/819462102.db2.gz VSCOHCALCUNUGU-YABSGUDNSA-N 2 1 292.473 3.229 20 0 CGADMP Cc1csc2sc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c(C)c12 ZINC001236416619 819462106 /nfs/dbraw/zinc/46/21/06/819462106.db2.gz VSCOHCALCUNUGU-YABSGUDNSA-N 2 1 292.473 3.229 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001236418038 819464060 /nfs/dbraw/zinc/46/40/60/819464060.db2.gz ZOLZHFHUCYDJFJ-PMOLBWCYSA-N 2 1 292.426 3.312 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001236418038 819464067 /nfs/dbraw/zinc/46/40/67/819464067.db2.gz ZOLZHFHUCYDJFJ-PMOLBWCYSA-N 2 1 292.426 3.312 20 0 CGADMP COC(=[NH2+])c1cccc(-c2cccc(C[NH+](C)C)c2)c1 ZINC001236423815 819470369 /nfs/dbraw/zinc/47/03/69/819470369.db2.gz DNFUNQGIXSZSNF-UHFFFAOYSA-N 2 1 268.360 3.387 20 0 CGADMP CC/C=C\CCCCCC[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236436220 819478240 /nfs/dbraw/zinc/47/82/40/819478240.db2.gz XLDHBUOYKADSTF-ABCZVMIZSA-N 2 1 256.409 3.276 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236436220 819478242 /nfs/dbraw/zinc/47/82/42/819478242.db2.gz XLDHBUOYKADSTF-ABCZVMIZSA-N 2 1 256.409 3.276 20 0 CGADMP COc1cc(C)cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236477324 819495746 /nfs/dbraw/zinc/49/57/46/819495746.db2.gz ANTKRCLIHWUAKO-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP COc1cc(C)cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236477324 819495749 /nfs/dbraw/zinc/49/57/49/819495749.db2.gz ANTKRCLIHWUAKO-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP CCCC[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236480788 819496758 /nfs/dbraw/zinc/49/67/58/819496758.db2.gz KNABQAHELGVPEQ-UHFFFAOYSA-N 2 1 278.415 3.488 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584895 819546258 /nfs/dbraw/zinc/54/62/58/819546258.db2.gz ZSYDCVGBRKWMEI-YESZJQIVSA-N 2 1 276.468 3.443 20 0 CGADMP CCc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)s1 ZINC001236636841 819556770 /nfs/dbraw/zinc/55/67/70/819556770.db2.gz KEJAEHICXYBXBQ-UHFFFAOYSA-N 2 1 278.465 3.417 20 0 CGADMP Cc1cc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(F)cc1F ZINC001236638198 819556856 /nfs/dbraw/zinc/55/68/56/819556856.db2.gz WOAIHPYSNFVWOM-UHFFFAOYSA-N 2 1 294.389 3.380 20 0 CGADMP Cc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(F)cc1F ZINC001236638198 819556862 /nfs/dbraw/zinc/55/68/62/819556862.db2.gz WOAIHPYSNFVWOM-UHFFFAOYSA-N 2 1 294.389 3.380 20 0 CGADMP CCc1ccccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236638291 819556947 /nfs/dbraw/zinc/55/69/47/819556947.db2.gz YCYJDKZUMLONQS-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3c(Cl)cccc3Cl)C[C@H]12 ZINC001236821948 819608501 /nfs/dbraw/zinc/60/85/01/819608501.db2.gz WTQZKNBTRVLEDX-ITDIGPHOSA-N 2 1 299.245 3.205 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3c(Cl)cccc3Cl)C[C@H]12 ZINC001236821948 819608506 /nfs/dbraw/zinc/60/85/06/819608506.db2.gz WTQZKNBTRVLEDX-ITDIGPHOSA-N 2 1 299.245 3.205 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(OC)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236833301 819613435 /nfs/dbraw/zinc/61/34/35/819613435.db2.gz ADHBJDOLFQFFHT-INIZCTEOSA-N 2 1 290.451 3.134 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236834010 819613776 /nfs/dbraw/zinc/61/37/76/819613776.db2.gz DYCYCERWBCMEOT-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236834010 819613779 /nfs/dbraw/zinc/61/37/79/819613779.db2.gz DYCYCERWBCMEOT-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCCc1ccc(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236836976 819617437 /nfs/dbraw/zinc/61/74/37/819617437.db2.gz ZTXUFAWVDRYUJP-SFHVURJKSA-N 2 1 274.452 3.461 20 0 CGADMP CCC[N@H+](Cc1cccc2nccc(C)c12)C[C@H]1CC[NH2+]C1 ZINC001236842942 819619139 /nfs/dbraw/zinc/61/91/39/819619139.db2.gz IDMCCSJAWGQWJO-INIZCTEOSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1OCC)C[C@@H]1CC[NH2+]C1 ZINC001236844852 819620359 /nfs/dbraw/zinc/62/03/59/819620359.db2.gz WLLKNZUKMBYNBI-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236898910 819633593 /nfs/dbraw/zinc/63/35/93/819633593.db2.gz AQRRBTIFQJJBCT-HNNXBMFYSA-N 2 1 268.404 3.441 20 0 CGADMP Fc1cc(F)cc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC001237057465 819656053 /nfs/dbraw/zinc/65/60/53/819656053.db2.gz JCZJHRVFZNHTQV-CXAGYDPISA-N 2 1 294.389 3.491 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC001237203595 819697426 /nfs/dbraw/zinc/69/74/26/819697426.db2.gz IUZRVFFHGPLQQX-QAPCUYQASA-N 2 1 280.415 3.240 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC001237203595 819697430 /nfs/dbraw/zinc/69/74/30/819697430.db2.gz IUZRVFFHGPLQQX-QAPCUYQASA-N 2 1 280.415 3.240 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237204261 819698132 /nfs/dbraw/zinc/69/81/32/819698132.db2.gz MHBBCOXEPBLNCT-KGLIPLIRSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001237204261 819698135 /nfs/dbraw/zinc/69/81/35/819698135.db2.gz MHBBCOXEPBLNCT-KGLIPLIRSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237204261 819698136 /nfs/dbraw/zinc/69/81/36/819698136.db2.gz MHBBCOXEPBLNCT-KGLIPLIRSA-N 2 1 286.410 3.133 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275583 819714078 /nfs/dbraw/zinc/71/40/78/819714078.db2.gz PBKKEFYNUPPNFN-OAHLLOKOSA-N 2 1 272.436 3.170 20 0 CGADMP Clc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379374 819738835 /nfs/dbraw/zinc/73/88/35/819738835.db2.gz BBRCSKXOSQAGEG-WBVHZDCISA-N 2 1 292.854 3.347 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379374 819738837 /nfs/dbraw/zinc/73/88/37/819738837.db2.gz BBRCSKXOSQAGEG-WBVHZDCISA-N 2 1 292.854 3.347 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237404251 819744746 /nfs/dbraw/zinc/74/47/46/819744746.db2.gz NMWCUBUNNXFBDV-AEFFLSMTSA-N 2 1 272.436 3.384 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCCc2ccccc2C1 ZINC001238114878 819937971 /nfs/dbraw/zinc/93/79/71/819937971.db2.gz YLUWHOVHPJTMCE-UHFFFAOYSA-N 2 1 277.371 3.283 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCCc2ccccc2C1 ZINC001238114878 819937974 /nfs/dbraw/zinc/93/79/74/819937974.db2.gz YLUWHOVHPJTMCE-UHFFFAOYSA-N 2 1 277.371 3.283 20 0 CGADMP C[N@H+](CCCc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238113961 819938016 /nfs/dbraw/zinc/93/80/16/819938016.db2.gz OUHAGOMEPNWJOY-UHFFFAOYSA-N 2 1 279.387 3.399 20 0 CGADMP C[N@@H+](CCCc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238113961 819938022 /nfs/dbraw/zinc/93/80/22/819938022.db2.gz OUHAGOMEPNWJOY-UHFFFAOYSA-N 2 1 279.387 3.399 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cc(SC)c3)C[C@H]2C1 ZINC001238687155 820082947 /nfs/dbraw/zinc/08/29/47/820082947.db2.gz BNGSTZJYDGDPGX-HZPDHXFCSA-N 2 1 290.476 3.100 20 0 CGADMP [NH3+]Cc1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240387257 821011265 /nfs/dbraw/zinc/01/12/65/821011265.db2.gz LDPXALRDZGSHOS-UHFFFAOYSA-N 2 1 278.399 3.435 20 0 CGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(C2=CC[NH2+]CC2)nc1 ZINC001240466349 821074970 /nfs/dbraw/zinc/07/49/70/821074970.db2.gz DNERCCSGFQKFII-SFHVURJKSA-N 2 1 285.435 3.395 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C2([NH3+])CC2)cc1 ZINC001241243474 821664702 /nfs/dbraw/zinc/66/47/02/821664702.db2.gz UUSCIEPNYPZIRS-UHFFFAOYSA-N 2 1 267.376 3.071 20 0 CGADMP Cc1cnc(C2=CC[N@@H+](Cc3ccccc3)CC2)c(C[NH3+])c1 ZINC001241502597 821904253 /nfs/dbraw/zinc/90/42/53/821904253.db2.gz NQVOVWGUZOLUDN-UHFFFAOYSA-N 2 1 293.414 3.138 20 0 CGADMP c1ccc(C[N@@H+]2CC=C(c3[nH+]ccc4c3CCN4)CC2)cc1 ZINC001241502105 821904283 /nfs/dbraw/zinc/90/42/83/821904283.db2.gz PDXYYTHHYDBZKF-UHFFFAOYSA-N 2 1 291.398 3.339 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001242084621 822342203 /nfs/dbraw/zinc/34/22/03/822342203.db2.gz XNYQLPFHWZMMIR-UHFFFAOYSA-N 2 1 291.398 3.287 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC001341802888 936451214 /nfs/dbraw/zinc/45/12/14/936451214.db2.gz QFLGJTRIZUQWAF-SOUVJXGZSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc1F ZINC001343335194 936495296 /nfs/dbraw/zinc/49/52/96/936495296.db2.gz VXULGQVFNWAPRZ-GVDBMIGSSA-N 2 1 290.426 3.296 20 0 CGADMP COC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC001351284979 937013585 /nfs/dbraw/zinc/01/35/85/937013585.db2.gz YMJFSRUABREPEP-BBWFWOEESA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCC(C)(O)CC2)C1 ZINC001351974341 937030503 /nfs/dbraw/zinc/03/05/03/937030503.db2.gz DVXCAXBOUMYNPN-SFYZZRBRSA-N 2 1 296.499 3.026 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc(C)nc1 ZINC001167841098 927030590 /nfs/dbraw/zinc/03/05/90/927030590.db2.gz KDZLQOYVVGWEQG-INIZCTEOSA-N 2 1 277.456 3.332 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163446119 928261231 /nfs/dbraw/zinc/26/12/31/928261231.db2.gz NTNLMXPNEJHTPT-QAPCUYQASA-N 2 1 274.452 3.302 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](C)CC1CCCCC1 ZINC001473966590 937832735 /nfs/dbraw/zinc/83/27/35/937832735.db2.gz OUGISSXRYJDUEJ-AWEZNQCLSA-N 2 1 263.429 3.388 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1CCC[C@@H](C)C1 ZINC001460254644 937522542 /nfs/dbraw/zinc/52/25/42/937522542.db2.gz SOEMLMCSPQNERV-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC001460799573 937546106 /nfs/dbraw/zinc/54/61/06/937546106.db2.gz FHWHNGXBQSHQGC-IXDOHACOSA-N 2 1 287.451 3.418 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCC(C)(C)CO1 ZINC001460693749 937540162 /nfs/dbraw/zinc/54/01/62/937540162.db2.gz SJWRMKOLGYRMBT-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001460720113 937541719 /nfs/dbraw/zinc/54/17/19/937541719.db2.gz KFAYOZLXISSUKW-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001460720113 937541721 /nfs/dbraw/zinc/54/17/21/937541721.db2.gz KFAYOZLXISSUKW-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC001460799572 937546293 /nfs/dbraw/zinc/54/62/93/937546293.db2.gz FHWHNGXBQSHQGC-IKGGRYGDSA-N 2 1 287.451 3.418 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC001461123684 937565273 /nfs/dbraw/zinc/56/52/73/937565273.db2.gz YVRBRHXYOPKLDI-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)c1ccccc1 ZINC001461832099 937600568 /nfs/dbraw/zinc/60/05/68/937600568.db2.gz RXBRAYRBPCYRMV-FCGDIQPGSA-N 2 1 286.463 3.356 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC001331417842 932693134 /nfs/dbraw/zinc/69/31/34/932693134.db2.gz DHQGIOMRLOLFFQ-CYBMUJFWSA-N 2 1 260.381 3.137 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1 ZINC001462336951 937633302 /nfs/dbraw/zinc/63/33/02/937633302.db2.gz TWEVCQABMPGJDG-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cc1 ZINC001462336951 937633303 /nfs/dbraw/zinc/63/33/03/937633303.db2.gz TWEVCQABMPGJDG-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001307987303 933030683 /nfs/dbraw/zinc/03/06/83/933030683.db2.gz IRNKZVVEFAYOJU-AFYVEPGGSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001307987303 933030687 /nfs/dbraw/zinc/03/06/87/933030687.db2.gz IRNKZVVEFAYOJU-AFYVEPGGSA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001307987303 933030692 /nfs/dbraw/zinc/03/06/92/933030692.db2.gz IRNKZVVEFAYOJU-AFYVEPGGSA-N 2 1 298.474 3.454 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041496 933039231 /nfs/dbraw/zinc/03/92/31/933039231.db2.gz VGYVYXHPVVHKBF-OAHLLOKOSA-N 2 1 299.393 3.240 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1F ZINC001308368054 933102923 /nfs/dbraw/zinc/10/29/23/933102923.db2.gz ZXBXDDFNYJUGOY-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1cc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc(C)n1 ZINC001462669152 937658377 /nfs/dbraw/zinc/65/83/77/937658377.db2.gz SBAWAHTZMNSMQM-UHFFFAOYSA-N 2 1 275.440 3.051 20 0 CGADMP Cc1cc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc(C)n1 ZINC001462669152 937658379 /nfs/dbraw/zinc/65/83/79/937658379.db2.gz SBAWAHTZMNSMQM-UHFFFAOYSA-N 2 1 275.440 3.051 20 0 CGADMP CC(C)C[N@@H+](C)CCCNCc1cc(Cl)cs1 ZINC001308457239 933113732 /nfs/dbraw/zinc/11/37/32/933113732.db2.gz MAKSVTGCFYNURR-UHFFFAOYSA-N 2 1 274.861 3.469 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC001308457239 933113737 /nfs/dbraw/zinc/11/37/37/933113737.db2.gz MAKSVTGCFYNURR-UHFFFAOYSA-N 2 1 274.861 3.469 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC001308457239 933113742 /nfs/dbraw/zinc/11/37/42/933113742.db2.gz MAKSVTGCFYNURR-UHFFFAOYSA-N 2 1 274.861 3.469 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001319127598 933829928 /nfs/dbraw/zinc/82/99/28/933829928.db2.gz KCURFJCSHVZILH-LSDHHAIUSA-N 2 1 281.403 3.004 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319211005 933843850 /nfs/dbraw/zinc/84/38/50/933843850.db2.gz IDPSLGAJWIPWIG-BHYGNILZSA-N 2 1 290.451 3.089 20 0 CGADMP C[C@H](C[NH2+]CCc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C ZINC001319913200 933956224 /nfs/dbraw/zinc/95/62/24/933956224.db2.gz JILISJUAOLMYDR-LSDHHAIUSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H](C[NH2+]CCc1ccc(F)cc1)[N@H+]1CCCC[C@@H]1C ZINC001319913200 933956234 /nfs/dbraw/zinc/95/62/34/933956234.db2.gz JILISJUAOLMYDR-LSDHHAIUSA-N 2 1 278.415 3.221 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC001320292256 934025812 /nfs/dbraw/zinc/02/58/12/934025812.db2.gz NSYJWICFSYEEPK-FOIPXRHGSA-N 2 1 272.436 3.395 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454702 934505768 /nfs/dbraw/zinc/50/57/68/934505768.db2.gz GJBASNUSIJVFPX-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454702 934505774 /nfs/dbraw/zinc/50/57/74/934505774.db2.gz GJBASNUSIJVFPX-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454702 934505779 /nfs/dbraw/zinc/50/57/79/934505779.db2.gz GJBASNUSIJVFPX-MOPGFXCFSA-N 2 1 284.447 3.091 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCc1cccc(OC)c1 ZINC001473667666 937816380 /nfs/dbraw/zinc/81/63/80/937816380.db2.gz RYEZDCOWHCSOFX-UHFFFAOYSA-N 2 1 292.467 3.338 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCc1cccc(OC)c1 ZINC001473667666 937816382 /nfs/dbraw/zinc/81/63/82/937816382.db2.gz RYEZDCOWHCSOFX-UHFFFAOYSA-N 2 1 292.467 3.338 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326520155 934986827 /nfs/dbraw/zinc/98/68/27/934986827.db2.gz XCKVAMUWKIGAQH-UHFFFAOYSA-N 2 1 295.430 3.200 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)c(F)c1 ZINC001326758778 935004109 /nfs/dbraw/zinc/00/41/09/935004109.db2.gz YGQLVVBPOOCYAK-NSHDSACASA-N 2 1 295.789 3.496 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001327205589 935044735 /nfs/dbraw/zinc/04/47/35/935044735.db2.gz GPHLARIDYOVVRO-INIZCTEOSA-N 2 1 289.448 3.273 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC001331420802 935378105 /nfs/dbraw/zinc/37/81/05/935378105.db2.gz ZVKBILUOKGTSIZ-VIFPVBQESA-N 2 1 292.757 3.029 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC001333422180 935534234 /nfs/dbraw/zinc/53/42/34/935534234.db2.gz ODEZFJJMQOWCFK-DAYGRLMNSA-N 2 1 272.436 3.241 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2sccc2C)C1 ZINC001333419748 935535095 /nfs/dbraw/zinc/53/50/95/935535095.db2.gz AXVDKBUFQFLBIW-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1ccsc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001333891333 936074339 /nfs/dbraw/zinc/07/43/39/936074339.db2.gz KIOQKVXQCPHNRE-SOUVJXGZSA-N 2 1 278.465 3.219 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C)(O)CC2)C1 ZINC001335237334 936135117 /nfs/dbraw/zinc/13/51/17/936135117.db2.gz JRFNYQXLLUXNLB-KLHKWILBSA-N 2 1 296.499 3.170 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C)(O)CC2)C1 ZINC001335237334 936135121 /nfs/dbraw/zinc/13/51/21/936135121.db2.gz JRFNYQXLLUXNLB-KLHKWILBSA-N 2 1 296.499 3.170 20 0 CGADMP c1ccc2[nH+]c(NC3CCN(c4cc[nH+]cc4)CC3)[nH]c2c1 ZINC001338192694 936309826 /nfs/dbraw/zinc/30/98/26/936309826.db2.gz ZJVKCOMMNYWJCE-UHFFFAOYSA-N 2 1 293.374 3.039 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CCCCC1 ZINC001473809787 937822815 /nfs/dbraw/zinc/82/28/15/937822815.db2.gz QWPUMXFRWIMRRJ-HNNXBMFYSA-N 2 1 273.424 3.172 20 0 CGADMP CCCc1cccc(C[N@@H+](CC)CCC[NH+](C)C)c1 ZINC001474501294 937863324 /nfs/dbraw/zinc/86/33/24/937863324.db2.gz USLNBCWTSLKOHN-UHFFFAOYSA-N 2 1 262.441 3.413 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC001548919759 938154208 /nfs/dbraw/zinc/15/42/08/938154208.db2.gz SRGFUSYECKQUQO-YRXWBPOGSA-N 2 1 284.447 3.254 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](c2ccncc2)C2CCC2)CC1(C)C ZINC001550242722 938164755 /nfs/dbraw/zinc/16/47/55/938164755.db2.gz SUNFTDKQQLXZMJ-DLBZAZTESA-N 2 1 287.451 3.385 20 0 CGADMP [NH3+][C@H]1CC[C@@H](C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC001550348818 938166041 /nfs/dbraw/zinc/16/60/41/938166041.db2.gz HJUAEMNVYIIXON-PBHICJAKSA-N 2 1 296.414 3.432 20 0 CGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](C3CCC3)CC2)C1 ZINC001550349147 938166260 /nfs/dbraw/zinc/16/62/60/938166260.db2.gz IELNGUSZBQUCIN-FVQBIDKESA-N 2 1 250.430 3.016 20 0 CGADMP FC(F)(F)[C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC001550705005 938170273 /nfs/dbraw/zinc/17/02/73/938170273.db2.gz WWJXAKHPDOZIBF-MCIONIFRSA-N 2 1 290.373 3.041 20 0 CGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[NH2+]C34CCC4)C2)c(F)c1 ZINC001551377808 938180695 /nfs/dbraw/zinc/18/06/95/938180695.db2.gz KNIFRSSASSWPRO-TZDAIYRESA-N 2 1 292.373 3.085 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001551398992 938181506 /nfs/dbraw/zinc/18/15/06/938181506.db2.gz HOYZPQZOQMXJKX-SQNIBIBYSA-N 2 1 270.420 3.008 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001551398992 938181507 /nfs/dbraw/zinc/18/15/07/938181507.db2.gz HOYZPQZOQMXJKX-SQNIBIBYSA-N 2 1 270.420 3.008 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001551398990 938181649 /nfs/dbraw/zinc/18/16/49/938181649.db2.gz HOYZPQZOQMXJKX-FGTMMUONSA-N 2 1 270.420 3.008 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001551398990 938181650 /nfs/dbraw/zinc/18/16/50/938181650.db2.gz HOYZPQZOQMXJKX-FGTMMUONSA-N 2 1 270.420 3.008 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001552412696 938191821 /nfs/dbraw/zinc/19/18/21/938191821.db2.gz UOKDTZUGVGSBCC-XYJFISCASA-N 2 1 272.436 3.241 20 0 CGADMP Fc1ccc2c(c1)C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001553014174 938195849 /nfs/dbraw/zinc/19/58/49/938195849.db2.gz LEWUCIFKJSFXBE-MYFMFCSTSA-N 2 1 274.383 3.062 20 0 CGADMP C[N@@H+](CCCc1c(F)cccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC001559558613 938229602 /nfs/dbraw/zinc/22/96/02/938229602.db2.gz ZWXUILIPEMKUTA-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP C[NH+](CCCc1c(F)cccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC001559558613 938229603 /nfs/dbraw/zinc/22/96/03/938229603.db2.gz ZWXUILIPEMKUTA-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP C[NH+](CCCc1c(F)cccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC001559558613 938229604 /nfs/dbraw/zinc/22/96/04/938229604.db2.gz ZWXUILIPEMKUTA-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2ccccc2)CCC1 ZINC001560259996 938249917 /nfs/dbraw/zinc/24/99/17/938249917.db2.gz MCZHNPFBLDTUAF-UHFFFAOYSA-N 2 1 295.430 3.359 20 0 CGADMP C[C@@H](C[NH2+]CC1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC001560268041 938250128 /nfs/dbraw/zinc/25/01/28/938250128.db2.gz RLMTVKGAUSUVHK-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](C[NH2+]CC1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC001560268041 938250129 /nfs/dbraw/zinc/25/01/29/938250129.db2.gz RLMTVKGAUSUVHK-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(Cl)c1N ZINC001560624465 938266455 /nfs/dbraw/zinc/26/64/55/938266455.db2.gz PCLSETAWMMXEPF-GFCCVEGCSA-N 2 1 283.847 3.132 20 0 CGADMP CCc1cccc(Cl)c1CN[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001560623418 938266463 /nfs/dbraw/zinc/26/64/63/938266463.db2.gz WTYMSHAFXMGTMW-JLJPHGGASA-N 2 1 292.854 3.332 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001560623418 938266464 /nfs/dbraw/zinc/26/64/64/938266464.db2.gz WTYMSHAFXMGTMW-JLJPHGGASA-N 2 1 292.854 3.332 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001560623418 938266465 /nfs/dbraw/zinc/26/64/65/938266465.db2.gz WTYMSHAFXMGTMW-JLJPHGGASA-N 2 1 292.854 3.332 20 0 CGADMP Cc1cc(C)cc(CC[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001560653860 938267854 /nfs/dbraw/zinc/26/78/54/938267854.db2.gz UYLDNKUOEPHGOE-UHFFFAOYSA-N 2 1 274.452 3.120 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](CC2CCC2)C(C)C)CC1 ZINC001560793616 938275918 /nfs/dbraw/zinc/27/59/18/938275918.db2.gz UJUVSCLTLFNJPX-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CNc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001560810654 938277056 /nfs/dbraw/zinc/27/70/56/938277056.db2.gz IBYXUSQZPFCJDZ-UHFFFAOYSA-N 2 1 297.446 3.422 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001560814809 938277731 /nfs/dbraw/zinc/27/77/31/938277731.db2.gz IQPKZYFVOXKZSN-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC001560851770 938279407 /nfs/dbraw/zinc/27/94/07/938279407.db2.gz CUFAPDJJTSXWST-FQEVSTJZSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC001560851770 938279408 /nfs/dbraw/zinc/27/94/08/938279408.db2.gz CUFAPDJJTSXWST-FQEVSTJZSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC001560851770 938279409 /nfs/dbraw/zinc/27/94/09/938279409.db2.gz CUFAPDJJTSXWST-FQEVSTJZSA-N 2 1 298.474 3.483 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC001580293112 960486878 /nfs/dbraw/zinc/48/68/78/960486878.db2.gz RJJNKTMKDWNYBN-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC001575546223 962392650 /nfs/dbraw/zinc/39/26/50/962392650.db2.gz UYOKBHXXCHQRPW-HZPDHXFCSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H](C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)c1cccc(Cl)c1 ZINC001576032478 962429764 /nfs/dbraw/zinc/42/97/64/962429764.db2.gz DXLFRFDYMVNAPK-UHOFOFEASA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001576117422 962440615 /nfs/dbraw/zinc/44/06/15/962440615.db2.gz OISBZRUQNMIVQB-JVPBZIDWSA-N 2 1 298.430 3.075 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001576117422 962440628 /nfs/dbraw/zinc/44/06/28/962440628.db2.gz OISBZRUQNMIVQB-JVPBZIDWSA-N 2 1 298.430 3.075 20 0 CGADMP CC1(C)CC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)[NH2+]C1 ZINC001576422175 962455197 /nfs/dbraw/zinc/45/51/97/962455197.db2.gz TYNCVOWWSOLNOI-JKSUJKDBSA-N 2 1 294.483 3.236 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)C[C@@H]1[NH3+] ZINC001576380484 962456991 /nfs/dbraw/zinc/45/69/91/962456991.db2.gz SLIUDUSOKBPFGS-JKSUJKDBSA-N 2 1 288.366 3.301 20 0 CGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001576380718 962458011 /nfs/dbraw/zinc/45/80/11/962458011.db2.gz XIPNFURUTGONBQ-IRXDYDNUSA-N 2 1 299.393 3.103 20 0 CGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001576384000 962458094 /nfs/dbraw/zinc/45/80/94/962458094.db2.gz NIOIKHPMTFPRKC-SVGFKBNWSA-N 2 1 288.410 3.179 20 0 CGADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CCC23CCCC3)[NH2+]C1 ZINC001576421297 962459774 /nfs/dbraw/zinc/45/97/74/962459774.db2.gz LPNOKNMKZTWNIJ-KBPBESRZSA-N 2 1 250.430 3.077 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC001576555977 962467872 /nfs/dbraw/zinc/46/78/72/962467872.db2.gz MBVMBMBSYPGSPM-NUEKZKHPSA-N 2 1 250.430 3.086 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576623995 962474437 /nfs/dbraw/zinc/47/44/37/962474437.db2.gz OAQFKLRFZHCZNB-WBOSRHFRSA-N 2 1 272.436 3.380 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCc2ccccc2Cl)[C@H]1CC[NH3+] ZINC001576708415 962481529 /nfs/dbraw/zinc/48/15/29/962481529.db2.gz DBCXOTZNQRXVHA-CJNGLKHVSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001576681799 962483010 /nfs/dbraw/zinc/48/30/10/962483010.db2.gz NWDULRIIIXCCAB-DDBAPUKQSA-N 2 1 272.436 3.158 20 0 CGADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001576681798 962484544 /nfs/dbraw/zinc/48/45/44/962484544.db2.gz NWDULRIIIXCCAB-BGTYHANMSA-N 2 1 272.436 3.158 20 0 CGADMP C[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1C[NH3+] ZINC001576800458 962492037 /nfs/dbraw/zinc/49/20/37/962492037.db2.gz IXXIORBHMSCCAZ-HOCLYGCPSA-N 2 1 252.446 3.264 20 0 CGADMP CCCc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC001577608442 962554209 /nfs/dbraw/zinc/55/42/09/962554209.db2.gz DDOMBVUPFYXAFW-KSZLIROESA-N 2 1 272.436 3.198 20 0 CGADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC001578241963 962571759 /nfs/dbraw/zinc/57/17/59/962571759.db2.gz UNHWTECCZNPGEV-QBIMZIAESA-N 2 1 285.435 3.219 20 0 CGADMP CCn1c2ccc(C)cc2[nH+]c1NC[C@@H]1CC[NH2+][C@H](C)C1 ZINC001578342622 962584360 /nfs/dbraw/zinc/58/43/60/962584360.db2.gz YBKMMPJUGYFSET-ZIAGYGMSSA-N 2 1 286.423 3.165 20 0 CGADMP CCc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001578255475 962586658 /nfs/dbraw/zinc/58/66/58/962586658.db2.gz TVMREMZDLDOUEZ-WMZOPIPTSA-N 2 1 272.436 3.038 20 0 CGADMP CNc1ccccc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC001578764215 962604225 /nfs/dbraw/zinc/60/42/25/962604225.db2.gz UXUWHDUCJXQVSS-UHFFFAOYSA-N 2 1 275.440 3.069 20 0 CGADMP Cc1cc([C@H]2CCCC[N@H+]2C[C@H]2CC[C@H](C[NH3+])CC2)[nH]n1 ZINC001579589788 962641067 /nfs/dbraw/zinc/64/10/67/962641067.db2.gz COYHBHZXVRIQCV-BFYDXBDKSA-N 2 1 290.455 3.010 20 0 CGADMP Cc1cc([C@H]2CCCC[N@@H+]2C[C@H]2CC[C@H](C[NH3+])CC2)n[nH]1 ZINC001579589788 962641077 /nfs/dbraw/zinc/64/10/77/962641077.db2.gz COYHBHZXVRIQCV-BFYDXBDKSA-N 2 1 290.455 3.010 20 0 CGADMP Cc1cc([C@H]2CCCC[N@H+]2C[C@H]2CC[C@H](C[NH3+])CC2)n[nH]1 ZINC001579589788 962641089 /nfs/dbraw/zinc/64/10/89/962641089.db2.gz COYHBHZXVRIQCV-BFYDXBDKSA-N 2 1 290.455 3.010 20 0 CGADMP Cc1ccc(CC[N@@H+](C)CCCCCC[NH3+])cc1C ZINC001579685757 962651020 /nfs/dbraw/zinc/65/10/20/962651020.db2.gz ZXOMSPWUBIKMRP-UHFFFAOYSA-N 2 1 262.441 3.297 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)[C@H](C)C2 ZINC001579738355 962664240 /nfs/dbraw/zinc/66/42/40/962664240.db2.gz ZEZPFCZOEFJZTD-NONVJHHQSA-N 2 1 272.436 3.349 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001579795335 962672917 /nfs/dbraw/zinc/67/29/17/962672917.db2.gz NPYWMHAQYQIBIC-HOTGVXAUSA-N 2 1 260.425 3.015 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOc1cccc3ccccc31)C2 ZINC001580157556 962697701 /nfs/dbraw/zinc/69/77/01/962697701.db2.gz JYXPLQLIARYDMO-LPHOPBHVSA-N 2 1 296.414 3.032 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOc1cccc3ccccc31)C2 ZINC001580157556 962697739 /nfs/dbraw/zinc/69/77/39/962697739.db2.gz JYXPLQLIARYDMO-LPHOPBHVSA-N 2 1 296.414 3.032 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC001580288200 962706018 /nfs/dbraw/zinc/70/60/18/962706018.db2.gz GHATXAWKSKNNGB-CYBMUJFWSA-N 2 1 288.366 3.256 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC12CCC2)[NH+](C)C ZINC000337416071 214067239 /nfs/dbraw/zinc/06/72/39/214067239.db2.gz ZIKLEAAOQRZYPA-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCC12CCC2)[NH+](C)C ZINC000337416072 214068487 /nfs/dbraw/zinc/06/84/87/214068487.db2.gz ZIKLEAAOQRZYPA-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000651211024 398216495 /nfs/dbraw/zinc/21/64/95/398216495.db2.gz PPRRTYWDKXBKOW-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000621717235 349562338 /nfs/dbraw/zinc/56/23/38/349562338.db2.gz ZWOPJWYPJGISAH-ZDUSSCGKSA-N 2 1 266.454 3.084 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000621717235 349562339 /nfs/dbraw/zinc/56/23/39/349562339.db2.gz ZWOPJWYPJGISAH-ZDUSSCGKSA-N 2 1 266.454 3.084 20 0 CGADMP CC[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000651670477 398265880 /nfs/dbraw/zinc/26/58/80/398265880.db2.gz KJDAIIRPWGRIQE-CVEARBPZSA-N 2 1 250.430 3.172 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000621712013 349560180 /nfs/dbraw/zinc/56/01/80/349560180.db2.gz PFRVEEQBFDSKIZ-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000621712013 349560184 /nfs/dbraw/zinc/56/01/84/349560184.db2.gz PFRVEEQBFDSKIZ-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000621712013 349560187 /nfs/dbraw/zinc/56/01/87/349560187.db2.gz PFRVEEQBFDSKIZ-AWEZNQCLSA-N 2 1 280.481 3.474 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@]2(C)CC)C1 ZINC000651692805 398270359 /nfs/dbraw/zinc/27/03/59/398270359.db2.gz RVJXWQYEQYBWOI-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651680697 398268637 /nfs/dbraw/zinc/26/86/37/398268637.db2.gz OHQUEWKWWUYTJS-FXUDXRNXSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651705697 398271999 /nfs/dbraw/zinc/27/19/99/398271999.db2.gz BTOVTIYAMOQWHS-CQSZACIVSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651705697 398272000 /nfs/dbraw/zinc/27/20/00/398272000.db2.gz BTOVTIYAMOQWHS-CQSZACIVSA-N 2 1 287.407 3.038 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651748661 398281170 /nfs/dbraw/zinc/28/11/70/398281170.db2.gz SYBCYBACXYYRHG-AWEZNQCLSA-N 2 1 294.801 3.318 20 0 CGADMP C[C@H](CC[NH2+]Cc1cc2cnccc2o1)[NH+]1CCCCC1 ZINC000651759960 398283582 /nfs/dbraw/zinc/28/35/82/398283582.db2.gz ITUNLRHLCHDXLA-CQSZACIVSA-N 2 1 287.407 3.182 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000622003851 349620536 /nfs/dbraw/zinc/62/05/36/349620536.db2.gz GLWZIIBKCPEHDL-HKUYNNGSSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000622003851 349620539 /nfs/dbraw/zinc/62/05/39/349620539.db2.gz GLWZIIBKCPEHDL-HKUYNNGSSA-N 2 1 293.414 3.062 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000651808381 398290672 /nfs/dbraw/zinc/29/06/72/398290672.db2.gz PADUWRKDWCFWLZ-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)s1 ZINC000651866691 398298637 /nfs/dbraw/zinc/29/86/37/398298637.db2.gz NUEDNDAQBOYXHQ-UHFFFAOYSA-N 2 1 254.443 3.124 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000651866447 398299131 /nfs/dbraw/zinc/29/91/31/398299131.db2.gz FFOXZAWRBZUFBV-UHFFFAOYSA-N 2 1 270.367 3.032 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000651866447 398299132 /nfs/dbraw/zinc/29/91/32/398299132.db2.gz FFOXZAWRBZUFBV-UHFFFAOYSA-N 2 1 270.367 3.032 20 0 CGADMP CC[N@H+](CCC[NH2+]Cc1cccn1C)C1CCCCC1 ZINC000651909651 398304545 /nfs/dbraw/zinc/30/45/45/398304545.db2.gz RXHSFCAGARFPKK-UHFFFAOYSA-N 2 1 277.456 3.159 20 0 CGADMP CC[N@@H+](CCC[NH2+]Cc1cccn1C)C1CCCCC1 ZINC000651909651 398304547 /nfs/dbraw/zinc/30/45/47/398304547.db2.gz RXHSFCAGARFPKK-UHFFFAOYSA-N 2 1 277.456 3.159 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2C)[C@@H](C)C1 ZINC000651911411 398305248 /nfs/dbraw/zinc/30/52/48/398305248.db2.gz XNOGSVSTYLVOHW-DZJNRPSUSA-N 2 1 272.436 3.171 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000125524889 187189556 /nfs/dbraw/zinc/18/95/56/187189556.db2.gz WSBZPFIZWNNPOA-KRWDZBQOSA-N 2 1 295.430 3.132 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC000334555368 282187518 /nfs/dbraw/zinc/18/75/18/282187518.db2.gz DLRDHMZKWGSMAW-CQSZACIVSA-N 2 1 274.399 3.228 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423473738 529568139 /nfs/dbraw/zinc/56/81/39/529568139.db2.gz QVJLWYLXKSQHKN-WCBMZHEXSA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423287991 529589421 /nfs/dbraw/zinc/58/94/21/529589421.db2.gz PVCULBFRYDUTLU-LBPRGKRZSA-N 2 1 290.329 3.363 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000423257925 529611395 /nfs/dbraw/zinc/61/13/95/529611395.db2.gz ASQIDMQYGZGHAK-KGLIPLIRSA-N 2 1 254.805 3.364 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CC1(C)C ZINC000414143813 529596109 /nfs/dbraw/zinc/59/61/09/529596109.db2.gz IYMYEGZYMCERAZ-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000268812097 282208801 /nfs/dbraw/zinc/20/88/01/282208801.db2.gz MOPKZVMSSNBJGV-MRXNPFEDSA-N 2 1 297.402 3.228 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C ZINC000623336177 349780747 /nfs/dbraw/zinc/78/07/47/349780747.db2.gz ZRCAMTHBPHIMNX-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000423394954 529658874 /nfs/dbraw/zinc/65/88/74/529658874.db2.gz MZLLVKJZWCFKSU-WKPIXPDZSA-N 2 1 268.351 3.004 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423468543 529665949 /nfs/dbraw/zinc/66/59/49/529665949.db2.gz OMFJPPRDLAATMC-BREBYQMCSA-N 2 1 290.329 3.362 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CCCC2)cn1 ZINC000126475008 187242276 /nfs/dbraw/zinc/24/22/76/187242276.db2.gz KJKBYMNYXQXDDW-ZDUSSCGKSA-N 2 1 284.407 3.244 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)CC1(C)C ZINC000623411480 349802137 /nfs/dbraw/zinc/80/21/37/349802137.db2.gz DXSFAMMMTPXQBR-MRXNPFEDSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000623417541 349803607 /nfs/dbraw/zinc/80/36/07/349803607.db2.gz BVQQFCAIRQDRTA-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)CC1(C)C ZINC000623430240 349807045 /nfs/dbraw/zinc/80/70/45/349807045.db2.gz HAGQNILREQAVNJ-YESZJQIVSA-N 2 1 272.436 3.080 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623446589 349811390 /nfs/dbraw/zinc/81/13/90/349811390.db2.gz JXTBEXSUEKOQSR-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623439153 349809861 /nfs/dbraw/zinc/80/98/61/349809861.db2.gz XZIOLXZZNFAXKU-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP CCc1ccc([C@H](CC)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423415887 529722527 /nfs/dbraw/zinc/72/25/27/529722527.db2.gz FDTQMOIRNJNVFB-ZWKOTPCHSA-N 2 1 290.451 3.058 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000423518037 529729187 /nfs/dbraw/zinc/72/91/87/529729187.db2.gz ZBBGEFBGTSKVCW-MFKMUULPSA-N 2 1 281.469 3.182 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)s1 ZINC000359634012 529729749 /nfs/dbraw/zinc/72/97/49/529729749.db2.gz DEUVAQXWLCCZHI-LBPRGKRZSA-N 2 1 283.485 3.395 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)s1 ZINC000359634012 529729750 /nfs/dbraw/zinc/72/97/50/529729750.db2.gz DEUVAQXWLCCZHI-LBPRGKRZSA-N 2 1 283.485 3.395 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CC1(C)C ZINC000623503859 349822487 /nfs/dbraw/zinc/82/24/87/349822487.db2.gz QRHRVEJOZYLDKY-OAHLLOKOSA-N 2 1 271.408 3.130 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC1(C)C ZINC000623552126 349832614 /nfs/dbraw/zinc/83/26/14/349832614.db2.gz YCSSLARDENTFQU-MJBXVCDLSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073104 529799877 /nfs/dbraw/zinc/79/98/77/529799877.db2.gz WHUPDEJGMXRPBX-YDZRNGNQSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073104 529799878 /nfs/dbraw/zinc/79/98/78/529799878.db2.gz WHUPDEJGMXRPBX-YDZRNGNQSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073104 529799880 /nfs/dbraw/zinc/79/98/80/529799880.db2.gz WHUPDEJGMXRPBX-YDZRNGNQSA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)CC1(C)C ZINC000623544816 349830281 /nfs/dbraw/zinc/83/02/81/349830281.db2.gz MHNZIQNLISHTGF-CABCVRRESA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H]2CCC[C@H]21 ZINC000367620840 529806616 /nfs/dbraw/zinc/80/66/16/529806616.db2.gz YOEVMAJIIFDGKW-YTQUADARSA-N 2 1 297.446 3.173 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@H]2CCC[C@@H]21 ZINC000423337323 529806978 /nfs/dbraw/zinc/80/69/78/529806978.db2.gz AOGNTCYIBABLLI-YRXWBPOGSA-N 2 1 299.462 3.109 20 0 CGADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573519 349839186 /nfs/dbraw/zinc/83/91/86/349839186.db2.gz LSAIJGBJLMCUTE-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@@H]1C ZINC000623657211 349858238 /nfs/dbraw/zinc/85/82/38/349858238.db2.gz LGZICMFVYKNUHJ-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000420374980 529971334 /nfs/dbraw/zinc/97/13/34/529971334.db2.gz OLTBFZXIDHNLAM-VIFPVBQESA-N 2 1 261.196 3.254 20 0 CGADMP C[NH2+]CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423251817 529978777 /nfs/dbraw/zinc/97/87/77/529978777.db2.gz WZBABNOVLBCDNQ-CYBMUJFWSA-N 2 1 273.424 3.033 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000040620625 344964092 /nfs/dbraw/zinc/96/40/92/344964092.db2.gz IMCFRBJCBANGBK-INIZCTEOSA-N 2 1 260.425 3.123 20 0 CGADMP FC(F)Oc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000057960261 345191654 /nfs/dbraw/zinc/19/16/54/345191654.db2.gz QKQOYNPUVHZHSQ-UHFFFAOYSA-N 2 1 296.361 3.004 20 0 CGADMP Cc1ccc(C[NH+](C)C)cc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623954555 349926474 /nfs/dbraw/zinc/92/64/74/349926474.db2.gz RWAWQOCIDHNRET-MRXNPFEDSA-N 2 1 289.467 3.341 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000070148513 345388552 /nfs/dbraw/zinc/38/85/52/345388552.db2.gz HFWWZXJMJOHBLC-GFCCVEGCSA-N 2 1 252.427 3.014 20 0 CGADMP Cc1ccc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000075206861 345497170 /nfs/dbraw/zinc/49/71/70/345497170.db2.gz QOILWXKVRHBTTI-ALOPSCKCSA-N 2 1 258.409 3.018 20 0 CGADMP CN(C[C@H]1CCC[N@H+](C)C1)c1cc[nH+]c2ccsc21 ZINC000078262440 345597445 /nfs/dbraw/zinc/59/74/45/345597445.db2.gz NVAWTCZSGRLZSX-LBPRGKRZSA-N 2 1 275.421 3.074 20 0 CGADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2ccsc21 ZINC000078262440 345597448 /nfs/dbraw/zinc/59/74/48/345597448.db2.gz NVAWTCZSGRLZSX-LBPRGKRZSA-N 2 1 275.421 3.074 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000091476360 345815546 /nfs/dbraw/zinc/81/55/46/345815546.db2.gz VSCMZZWAIRBMPS-QGZVFWFLSA-N 2 1 287.451 3.338 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798188 345794156 /nfs/dbraw/zinc/79/41/56/345794156.db2.gz QAANLHGGJRTAML-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043110 345828134 /nfs/dbraw/zinc/82/81/34/345828134.db2.gz SNHSOMBYGOMVLO-HIFRSBDPSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043110 345828139 /nfs/dbraw/zinc/82/81/39/345828139.db2.gz SNHSOMBYGOMVLO-HIFRSBDPSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000092043110 345828141 /nfs/dbraw/zinc/82/81/41/345828141.db2.gz SNHSOMBYGOMVLO-HIFRSBDPSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000092043110 345828145 /nfs/dbraw/zinc/82/81/45/345828145.db2.gz SNHSOMBYGOMVLO-HIFRSBDPSA-N 2 1 293.480 3.183 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C)C[C@H]1C ZINC000351643462 219160453 /nfs/dbraw/zinc/16/04/53/219160453.db2.gz DKNRGKLLUOROMV-IUODEOHRSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C)C[C@H]1C ZINC000351643462 219160454 /nfs/dbraw/zinc/16/04/54/219160454.db2.gz DKNRGKLLUOROMV-IUODEOHRSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2C)C[C@H]1C ZINC000351643462 219160456 /nfs/dbraw/zinc/16/04/56/219160456.db2.gz DKNRGKLLUOROMV-IUODEOHRSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2C)C[C@H]1C ZINC000351643462 219160458 /nfs/dbraw/zinc/16/04/58/219160458.db2.gz DKNRGKLLUOROMV-IUODEOHRSA-N 2 1 266.454 3.361 20 0 CGADMP C[C@@H](c1cccc2ccccc21)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119957 345940334 /nfs/dbraw/zinc/94/03/34/345940334.db2.gz IFXHWACCFBICPY-CWRNSKLLSA-N 2 1 266.388 3.052 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227871610 346311506 /nfs/dbraw/zinc/31/15/06/346311506.db2.gz OVQQFLWKHBTETD-DJIMGWMZSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000236635689 346341374 /nfs/dbraw/zinc/34/13/74/346341374.db2.gz WMYHAUVTZLOVMD-UHFFFAOYSA-N 2 1 291.483 3.500 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000248886177 346379530 /nfs/dbraw/zinc/37/95/30/346379530.db2.gz MDAKJRQMGYKNMI-IIDMSEBBSA-N 2 1 289.467 3.327 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)CCc1ccccc1 ZINC000314265674 346481223 /nfs/dbraw/zinc/48/12/23/346481223.db2.gz BQOWXARAIOOKCS-UHFFFAOYSA-N 2 1 285.435 3.354 20 0 CGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000314318003 346481972 /nfs/dbraw/zinc/48/19/72/346481972.db2.gz IPMXJBOHYMBVLT-MRXNPFEDSA-N 2 1 257.381 3.094 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC2CCC1CC2 ZINC000400179766 346589432 /nfs/dbraw/zinc/58/94/32/346589432.db2.gz SZTFYJRONGTCSM-YMAMQOFZSA-N 2 1 262.441 3.029 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000119126796 370647084 /nfs/dbraw/zinc/64/70/84/370647084.db2.gz CSBFRSYTEJCYAB-ZOBUZTSGSA-N 2 1 290.451 3.089 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000119126796 370647089 /nfs/dbraw/zinc/64/70/89/370647089.db2.gz CSBFRSYTEJCYAB-ZOBUZTSGSA-N 2 1 290.451 3.089 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCCC12CCCC2)C1CC1 ZINC000584853552 346719435 /nfs/dbraw/zinc/71/94/35/346719435.db2.gz HFTPWKJABZFLLJ-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CCCCC[NH3+])Cc1ccc2ccccc2c1 ZINC000584615908 346693879 /nfs/dbraw/zinc/69/38/79/346693879.db2.gz UCAXKZUNNDCTCA-UHFFFAOYSA-N 2 1 256.393 3.401 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000119170193 370651297 /nfs/dbraw/zinc/65/12/97/370651297.db2.gz GEWCCCUTLZPVRJ-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000119170193 370651301 /nfs/dbraw/zinc/65/13/01/370651301.db2.gz GEWCCCUTLZPVRJ-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000351851278 219225418 /nfs/dbraw/zinc/22/54/18/219225418.db2.gz KZJVQYFHKLQJHX-RYUDHWBXSA-N 2 1 284.856 3.101 20 0 CGADMP Cc1cc(C)c(CSCC2CC[NH2+]CC2)c(C)[nH+]1 ZINC000600967129 347849827 /nfs/dbraw/zinc/84/98/27/347849827.db2.gz YKCQRDABEMIGEX-UHFFFAOYSA-N 2 1 264.438 3.240 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCC2 ZINC000624120623 349977293 /nfs/dbraw/zinc/97/72/93/349977293.db2.gz CQRZJHOIQIKEAN-KBPBESRZSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120697 349978713 /nfs/dbraw/zinc/97/87/13/349978713.db2.gz FIYFIXCUQHBGJA-DOTOQJQBSA-N 2 1 292.442 3.468 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000624121060 349979050 /nfs/dbraw/zinc/97/90/50/349979050.db2.gz NAQIVXLIORGQKD-KGLIPLIRSA-N 2 1 264.413 3.225 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000624121060 349979053 /nfs/dbraw/zinc/97/90/53/349979053.db2.gz NAQIVXLIORGQKD-KGLIPLIRSA-N 2 1 264.413 3.225 20 0 CGADMP C[C@@H](CCc1ccsc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121891 349979820 /nfs/dbraw/zinc/97/98/20/349979820.db2.gz FTPWGMIEDPOFPU-GOEBONIOSA-N 2 1 280.481 3.391 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)o1 ZINC000624121061 349978044 /nfs/dbraw/zinc/97/80/44/349978044.db2.gz NAQIVXLIORGQKD-UONOGXRCSA-N 2 1 264.413 3.225 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000624121061 349978047 /nfs/dbraw/zinc/97/80/47/349978047.db2.gz NAQIVXLIORGQKD-UONOGXRCSA-N 2 1 264.413 3.225 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121229 349978479 /nfs/dbraw/zinc/97/84/79/349978479.db2.gz QNEGJVCMDXZCPZ-GJZGRUSLSA-N 2 1 280.481 3.391 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000356845823 232843252 /nfs/dbraw/zinc/84/32/52/232843252.db2.gz IKEIOEYRJCRYDJ-COXVUDFISA-N 2 1 275.440 3.386 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000624122497 349981585 /nfs/dbraw/zinc/98/15/85/349981585.db2.gz SRLMNRKFRBHTBA-QAPCUYQASA-N 2 1 272.436 3.459 20 0 CGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cnn1C(C)C ZINC000624124075 349983143 /nfs/dbraw/zinc/98/31/43/349983143.db2.gz WLGXEBZNVOYIED-GOEBONIOSA-N 2 1 292.471 3.155 20 0 CGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cnn1C(C)C ZINC000624124075 349983144 /nfs/dbraw/zinc/98/31/44/349983144.db2.gz WLGXEBZNVOYIED-GOEBONIOSA-N 2 1 292.471 3.155 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000339408239 215152637 /nfs/dbraw/zinc/15/26/37/215152637.db2.gz WJPZFUBVCSQVHK-UAGQMJEPSA-N 2 1 260.425 3.095 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339428660 215162872 /nfs/dbraw/zinc/16/28/72/215162872.db2.gz RRYVBEJZTZHYLL-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339428660 215162874 /nfs/dbraw/zinc/16/28/74/215162874.db2.gz RRYVBEJZTZHYLL-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339428660 215162875 /nfs/dbraw/zinc/16/28/75/215162875.db2.gz RRYVBEJZTZHYLL-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP CCC1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000608057112 348279881 /nfs/dbraw/zinc/27/98/81/348279881.db2.gz JUOWUFJLYZESFL-LEOMRAHMSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273383292 192133645 /nfs/dbraw/zinc/13/36/45/192133645.db2.gz CIVPRBVSAOANGB-SJLPKXTDSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273383292 192133648 /nfs/dbraw/zinc/13/36/48/192133648.db2.gz CIVPRBVSAOANGB-SJLPKXTDSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C/C=C\C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000613319806 348589606 /nfs/dbraw/zinc/58/96/06/348589606.db2.gz PKWYBTQGFIMSOI-LAHXUIENSA-N 2 1 278.484 3.498 20 0 CGADMP C[C@H](F)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352014681 219290065 /nfs/dbraw/zinc/29/00/65/219290065.db2.gz NUQFSGUKRJGAAK-RDJZCZTQSA-N 2 1 278.415 3.188 20 0 CGADMP C[C@H](F)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352014681 219290068 /nfs/dbraw/zinc/29/00/68/219290068.db2.gz NUQFSGUKRJGAAK-RDJZCZTQSA-N 2 1 278.415 3.188 20 0 CGADMP C[C@H](F)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352014681 219290070 /nfs/dbraw/zinc/29/00/70/219290070.db2.gz NUQFSGUKRJGAAK-RDJZCZTQSA-N 2 1 278.415 3.188 20 0 CGADMP c1cc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cs1 ZINC000359212306 233279380 /nfs/dbraw/zinc/27/93/80/233279380.db2.gz GVMVRAIRXRASFW-OAHLLOKOSA-N 2 1 264.438 3.275 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@@H]1n1ccnc1 ZINC000271282879 191048988 /nfs/dbraw/zinc/04/89/88/191048988.db2.gz PQFSPSDIMWNOHI-PBHICJAKSA-N 2 1 294.402 3.448 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H](C)C1(F)F ZINC000625652163 350190143 /nfs/dbraw/zinc/19/01/43/350190143.db2.gz BXCPZWHHKGNUEY-OKILXGFUSA-N 2 1 274.399 3.086 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H](C)C1(F)F ZINC000625652163 350190147 /nfs/dbraw/zinc/19/01/47/350190147.db2.gz BXCPZWHHKGNUEY-OKILXGFUSA-N 2 1 274.399 3.086 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1cnccn1 ZINC000626063145 350254840 /nfs/dbraw/zinc/25/48/40/350254840.db2.gz SGUKAHLRIRBMMS-OAHLLOKOSA-N 2 1 298.434 3.121 20 0 CGADMP Cc1ccc(SCC[N@@H+](C)[C@@H](CN)C2CC2)cc1C ZINC000359892961 233390707 /nfs/dbraw/zinc/39/07/07/233390707.db2.gz BXLWKZVBXQSLQN-INIZCTEOSA-N 2 1 278.465 3.065 20 0 CGADMP Cc1ccc(SCC[N@H+](C)[C@@H](CN)C2CC2)cc1C ZINC000359892961 233390710 /nfs/dbraw/zinc/39/07/10/233390710.db2.gz BXLWKZVBXQSLQN-INIZCTEOSA-N 2 1 278.465 3.065 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425886 350536519 /nfs/dbraw/zinc/53/65/19/350536519.db2.gz YKKXTEUQBRZMCC-UONOGXRCSA-N 2 1 296.405 3.390 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(O)ccc1Cl)CC[NH2+]CC2 ZINC000629539247 350706946 /nfs/dbraw/zinc/70/69/46/350706946.db2.gz PBMZSRDIGBMQMU-GFCCVEGCSA-N 2 1 294.826 3.010 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000629542669 350707468 /nfs/dbraw/zinc/70/74/68/350707468.db2.gz INYQOLHNTMSZPV-DDBAPUKQSA-N 2 1 272.436 3.128 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565457 350714193 /nfs/dbraw/zinc/71/41/93/350714193.db2.gz VTJFSVCHZZQKJU-SYQHCUMBSA-N 2 1 292.389 3.272 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000629566083 350714244 /nfs/dbraw/zinc/71/42/44/350714244.db2.gz YDAZZFZIXVCNTD-WCQYABFASA-N 2 1 292.389 3.272 20 0 CGADMP CCC[N@@H+](Cc1ccc(C(C)C)nc1C)C1CC[NH2+]CC1 ZINC000629517638 350700658 /nfs/dbraw/zinc/70/06/58/350700658.db2.gz XASASDSCVQHAGD-UHFFFAOYSA-N 2 1 289.467 3.477 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000630557114 350852821 /nfs/dbraw/zinc/85/28/21/350852821.db2.gz HDSLECSINXFUKT-KOLCDFICSA-N 2 1 295.308 3.180 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000631057383 350939047 /nfs/dbraw/zinc/93/90/47/350939047.db2.gz WWBZYRLPXDGEAR-UHFFFAOYSA-N 2 1 297.324 3.086 20 0 CGADMP Cc1scc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1C ZINC000631181501 350981009 /nfs/dbraw/zinc/98/10/09/350981009.db2.gz QHVLIDYXRKDVIQ-CQSZACIVSA-N 2 1 266.454 3.186 20 0 CGADMP FC(F)(F)c1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000631834567 351149505 /nfs/dbraw/zinc/14/95/05/351149505.db2.gz ADKVQZFRERZSLX-GFCCVEGCSA-N 2 1 298.352 3.063 20 0 CGADMP FC(F)c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890720 351153055 /nfs/dbraw/zinc/15/30/55/351153055.db2.gz SKZLKXRARROBIX-HUUCEWRRSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890720 351153060 /nfs/dbraw/zinc/15/30/60/351153060.db2.gz SKZLKXRARROBIX-HUUCEWRRSA-N 2 1 280.362 3.198 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635010019 351628180 /nfs/dbraw/zinc/62/81/80/351628180.db2.gz PRJXRQBRQAZWHS-VXGBXAGGSA-N 2 1 292.732 3.328 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000122059030 187012559 /nfs/dbraw/zinc/01/25/59/187012559.db2.gz VKZNZLYAZJPMSV-JKSUJKDBSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000123125083 187072849 /nfs/dbraw/zinc/07/28/49/187072849.db2.gz ZVDJWHLCRGIVHU-UHFFFAOYSA-N 2 1 281.469 3.005 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123571510 187099182 /nfs/dbraw/zinc/09/91/82/187099182.db2.gz PGKBALIMUSWLCQ-YIONKMFJSA-N 2 1 284.403 3.456 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123794984 187109016 /nfs/dbraw/zinc/10/90/16/187109016.db2.gz ANNFXBOVFCGEPQ-DOMZBBRYSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123794984 187109017 /nfs/dbraw/zinc/10/90/17/187109017.db2.gz ANNFXBOVFCGEPQ-DOMZBBRYSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000123794984 187109018 /nfs/dbraw/zinc/10/90/18/187109018.db2.gz ANNFXBOVFCGEPQ-DOMZBBRYSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000123794984 187109019 /nfs/dbraw/zinc/10/90/19/187109019.db2.gz ANNFXBOVFCGEPQ-DOMZBBRYSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000123971614 187116528 /nfs/dbraw/zinc/11/65/28/187116528.db2.gz LWCQAFPQCIAXJD-GDBMZVCRSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000123971614 187116529 /nfs/dbraw/zinc/11/65/29/187116529.db2.gz LWCQAFPQCIAXJD-GDBMZVCRSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCOc2ccc(F)cc2)CC[NH+]1C ZINC000123971614 187116530 /nfs/dbraw/zinc/11/65/30/187116530.db2.gz LWCQAFPQCIAXJD-GDBMZVCRSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCOc2ccc(F)cc2)CC[NH+]1C ZINC000123971614 187116531 /nfs/dbraw/zinc/11/65/31/187116531.db2.gz LWCQAFPQCIAXJD-GDBMZVCRSA-N 2 1 294.414 3.009 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292256965 198220812 /nfs/dbraw/zinc/22/08/12/198220812.db2.gz YECHHHWMKNBCDL-IAGOWNOFSA-N 2 1 258.409 3.165 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292256965 198220814 /nfs/dbraw/zinc/22/08/14/198220814.db2.gz YECHHHWMKNBCDL-IAGOWNOFSA-N 2 1 258.409 3.165 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292256965 198220815 /nfs/dbraw/zinc/22/08/15/198220815.db2.gz YECHHHWMKNBCDL-IAGOWNOFSA-N 2 1 258.409 3.165 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000368050789 234275087 /nfs/dbraw/zinc/27/50/87/234275087.db2.gz HTFVFSWZKJTFLS-INIZCTEOSA-N 2 1 299.418 3.080 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000368050789 234275090 /nfs/dbraw/zinc/27/50/90/234275090.db2.gz HTFVFSWZKJTFLS-INIZCTEOSA-N 2 1 299.418 3.080 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368098274 234281839 /nfs/dbraw/zinc/28/18/39/234281839.db2.gz BILSYPHNCGPYTC-FMTVUPSXSA-N 2 1 299.393 3.319 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000153249959 188072814 /nfs/dbraw/zinc/07/28/14/188072814.db2.gz JXPFRYMYYGXGJP-CVEARBPZSA-N 2 1 274.452 3.345 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000085400574 535205064 /nfs/dbraw/zinc/20/50/64/535205064.db2.gz RMYWCOAMDHNTRY-DLBZAZTESA-N 2 1 294.483 3.043 20 0 CGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000155947079 188236908 /nfs/dbraw/zinc/23/69/08/188236908.db2.gz GFPSKLLBLUTZHT-KURKYZTESA-N 2 1 270.420 3.354 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156192822 188248667 /nfs/dbraw/zinc/24/86/67/188248667.db2.gz POQLYXAAROIYIB-ILXRZTDVSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156192822 188248668 /nfs/dbraw/zinc/24/86/68/188248668.db2.gz POQLYXAAROIYIB-ILXRZTDVSA-N 2 1 276.424 3.219 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000158149054 188360801 /nfs/dbraw/zinc/36/08/01/188360801.db2.gz BZWVRSFAGJQZBE-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411631896 235071295 /nfs/dbraw/zinc/07/12/95/235071295.db2.gz CQORDAUSPCGLTO-IXDOHACOSA-N 2 1 276.399 3.098 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411631896 235071302 /nfs/dbraw/zinc/07/13/02/235071302.db2.gz CQORDAUSPCGLTO-IXDOHACOSA-N 2 1 276.399 3.098 20 0 CGADMP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)cc1 ZINC000271835558 191357446 /nfs/dbraw/zinc/35/74/46/191357446.db2.gz JTWQMBIGGAKPMQ-SFHVURJKSA-N 2 1 299.418 3.331 20 0 CGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271877030 191384056 /nfs/dbraw/zinc/38/40/56/191384056.db2.gz OLKCHMNXNQCKPD-IBGZPJMESA-N 2 1 286.463 3.495 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000271877154 191384599 /nfs/dbraw/zinc/38/45/99/191384599.db2.gz ZTWCDQYYYUFUOA-UHFFFAOYSA-N 2 1 282.387 3.298 20 0 CGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271904011 191399920 /nfs/dbraw/zinc/39/99/20/191399920.db2.gz WCOCRAHNXACUOF-LSDHHAIUSA-N 2 1 288.435 3.039 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191352 235359129 /nfs/dbraw/zinc/35/91/29/235359129.db2.gz SKLVSIFFRAWFAO-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000414194604 235360672 /nfs/dbraw/zinc/36/06/72/235360672.db2.gz ULDSRCVXWROGAV-CVEARBPZSA-N 2 1 289.467 3.135 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414170421 235352797 /nfs/dbraw/zinc/35/27/97/235352797.db2.gz BZEYJEOWXUNNDO-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H]2CCC[C@H]21 ZINC000353619126 283132638 /nfs/dbraw/zinc/13/26/38/283132638.db2.gz IDJUBUPMMVXYPS-HZSPNIEDSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420322066 235740837 /nfs/dbraw/zinc/74/08/37/235740837.db2.gz RZCMTUUPPZOKLP-LSDHHAIUSA-N 2 1 293.480 3.021 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000453124823 297285561 /nfs/dbraw/zinc/28/55/61/297285561.db2.gz UTHUUBRNMPWAAC-UHOFOFEASA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC[N@H+]1C ZINC000453124823 297285564 /nfs/dbraw/zinc/28/55/64/297285564.db2.gz UTHUUBRNMPWAAC-UHOFOFEASA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000106868547 138355942 /nfs/dbraw/zinc/35/59/42/138355942.db2.gz LGYMBWBPYHPMPT-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCCOc2ccccc2)CC[N@@H+]1C ZINC000123956444 138371951 /nfs/dbraw/zinc/37/19/51/138371951.db2.gz JYGYOINCUADPCO-DLBZAZTESA-N 2 1 290.451 3.260 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCCOc2ccccc2)CC[N@H+]1C ZINC000123956444 138371952 /nfs/dbraw/zinc/37/19/52/138371952.db2.gz JYGYOINCUADPCO-DLBZAZTESA-N 2 1 290.451 3.260 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCCOc2ccccc2)CC[NH+]1C ZINC000123956444 138371954 /nfs/dbraw/zinc/37/19/54/138371954.db2.gz JYGYOINCUADPCO-DLBZAZTESA-N 2 1 290.451 3.260 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCCOc2ccccc2)CC[NH+]1C ZINC000123956444 138371955 /nfs/dbraw/zinc/37/19/55/138371955.db2.gz JYGYOINCUADPCO-DLBZAZTESA-N 2 1 290.451 3.260 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000126571845 138386110 /nfs/dbraw/zinc/38/61/10/138386110.db2.gz YMXVQENWXDMUDW-HOTGVXAUSA-N 2 1 290.451 3.177 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@H](C)[C@H](C)C1 ZINC000129430590 138396887 /nfs/dbraw/zinc/39/68/87/138396887.db2.gz BUHCLAICOPXEIN-CTASWTNQSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCS1 ZINC000422876257 235935860 /nfs/dbraw/zinc/93/58/60/235935860.db2.gz QCZGIDGSUHUVAL-IXDOHACOSA-N 2 1 290.476 3.355 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1csc(-c2ccccc2F)n1 ZINC000423228130 236003501 /nfs/dbraw/zinc/00/35/01/236003501.db2.gz YHWLERPIHZETJY-WDEREUQCSA-N 2 1 293.411 3.337 20 0 CGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420317803 283267636 /nfs/dbraw/zinc/26/76/36/283267636.db2.gz OAFNKXKYGHXWBN-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc(C)c1F ZINC000423273067 236016944 /nfs/dbraw/zinc/01/69/44/236016944.db2.gz KGXAOJUTXGKVBW-TZMCWYRMSA-N 2 1 252.377 3.076 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc(C)c1F ZINC000423273065 236017871 /nfs/dbraw/zinc/01/78/71/236017871.db2.gz KGXAOJUTXGKVBW-JSGCOSHPSA-N 2 1 252.377 3.076 20 0 CGADMP COC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423338936 236043106 /nfs/dbraw/zinc/04/31/06/236043106.db2.gz LFOCAPVVGODDDK-HZPDHXFCSA-N 2 1 296.842 3.007 20 0 CGADMP COc1ccc([C@@H](CCC(C)C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423336226 236043229 /nfs/dbraw/zinc/04/32/29/236043229.db2.gz UGOZAMBDYOKFAY-CZUORRHYSA-N 2 1 264.413 3.109 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423373229 236054123 /nfs/dbraw/zinc/05/41/23/236054123.db2.gz RTKUSROQYKYBHV-FZMZJTMJSA-N 2 1 252.377 3.240 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000423532765 236093779 /nfs/dbraw/zinc/09/37/79/236093779.db2.gz RVIJXZLGVVHSHL-YPMHNXCESA-N 2 1 252.427 3.225 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)cs1)CC[NH2+]CC2 ZINC000424369376 236157648 /nfs/dbraw/zinc/15/76/48/236157648.db2.gz BHWMNRJCRCZVSQ-NSHDSACASA-N 2 1 284.856 3.366 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C/C=C\c1ccccc1)CC[NH2+]CC2 ZINC000424386139 236158762 /nfs/dbraw/zinc/15/87/62/236158762.db2.gz XAWNZRKVANVMBJ-SBSDFTTDSA-N 2 1 270.420 3.164 20 0 CGADMP Cc1ccccc1CCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424293740 236143815 /nfs/dbraw/zinc/14/38/15/236143815.db2.gz PVWJQAKAAKRSMT-KRWDZBQOSA-N 2 1 286.463 3.392 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427128026 236322890 /nfs/dbraw/zinc/32/28/90/236322890.db2.gz JCEUCQKRUFVDGI-XJKSGUPXSA-N 2 1 284.403 3.179 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCc2cccc(Cl)c2)C1 ZINC000297426450 200186167 /nfs/dbraw/zinc/18/61/67/200186167.db2.gz MTZAIOXRFHTTKG-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCc2cccc(Cl)c2)C1 ZINC000297426450 200186169 /nfs/dbraw/zinc/18/61/69/200186169.db2.gz MTZAIOXRFHTTKG-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCc2cccc(Cl)c2)C1 ZINC000297426450 200186171 /nfs/dbraw/zinc/18/61/71/200186171.db2.gz MTZAIOXRFHTTKG-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP Clc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000298264598 200376023 /nfs/dbraw/zinc/37/60/23/200376023.db2.gz FYTGFGBEWITPHP-UHFFFAOYSA-N 2 1 284.856 3.160 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000177487991 189053646 /nfs/dbraw/zinc/05/36/46/189053646.db2.gz OADNSMXHFUSRLM-INIZCTEOSA-N 2 1 290.451 3.227 20 0 CGADMP CC[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000177819243 189071658 /nfs/dbraw/zinc/07/16/58/189071658.db2.gz PNGATHWWDAZYIU-CUSZFKRNSA-N 2 1 274.452 3.499 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000178238955 189099887 /nfs/dbraw/zinc/09/98/87/189099887.db2.gz HYIPRBZYXNGQLM-SJORKVTESA-N 2 1 274.452 3.227 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000178702468 189138837 /nfs/dbraw/zinc/13/88/37/189138837.db2.gz IMAKNSDZYKPGEO-HOCLYGCPSA-N 2 1 285.435 3.357 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2cccc(F)c2)C1 ZINC000182827558 189336178 /nfs/dbraw/zinc/33/61/78/189336178.db2.gz SKYIQOYFTSCESP-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182827558 189336179 /nfs/dbraw/zinc/33/61/79/189336179.db2.gz SKYIQOYFTSCESP-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182827558 189336180 /nfs/dbraw/zinc/33/61/80/189336180.db2.gz SKYIQOYFTSCESP-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000301666282 201124167 /nfs/dbraw/zinc/12/41/67/201124167.db2.gz WTJRNGPCEDYBBL-WBVHZDCISA-N 2 1 296.418 3.108 20 0 CGADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000301666282 201124172 /nfs/dbraw/zinc/12/41/72/201124172.db2.gz WTJRNGPCEDYBBL-WBVHZDCISA-N 2 1 296.418 3.108 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3CCC[C@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000183124967 189347406 /nfs/dbraw/zinc/34/74/06/189347406.db2.gz AKCJIEKWGFMIIR-NXHRZFHOSA-N 2 1 270.420 3.039 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](CC1CCCCC1)C1CC1 ZINC000342544568 216391112 /nfs/dbraw/zinc/39/11/12/216391112.db2.gz LJCPXCUQRRAFDS-UHFFFAOYSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](CC1CCCCC1)C1CC1 ZINC000342544568 216391113 /nfs/dbraw/zinc/39/11/13/216391113.db2.gz LJCPXCUQRRAFDS-UHFFFAOYSA-N 2 1 261.413 3.236 20 0 CGADMP CSCC1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000449069891 239157557 /nfs/dbraw/zinc/15/75/57/239157557.db2.gz APEIIFRSXLQANO-IUDNXUCKSA-N 2 1 295.496 3.339 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)C ZINC000449076513 239160317 /nfs/dbraw/zinc/16/03/17/239160317.db2.gz TWPPUUCUYPHVJT-STQMWFEESA-N 2 1 251.418 3.242 20 0 CGADMP Cc1ccc2[nH+]ccc(NC[C@H]3CCC[N@H+](C)C3)c2c1 ZINC000302149575 201367793 /nfs/dbraw/zinc/36/77/93/201367793.db2.gz JSMDSDJTVQYFRS-CQSZACIVSA-N 2 1 269.392 3.297 20 0 CGADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450876377 240131004 /nfs/dbraw/zinc/13/10/04/240131004.db2.gz PKCOKHQYMHNBNL-LJQANCHMSA-N 2 1 299.462 3.336 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCCc2ccccc2CC1 ZINC000451713480 240347489 /nfs/dbraw/zinc/34/74/89/240347489.db2.gz SETROWAOEJKHGP-UHFFFAOYSA-N 2 1 297.446 3.463 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCc2ccccc2CC1 ZINC000451713480 240347493 /nfs/dbraw/zinc/34/74/93/240347493.db2.gz SETROWAOEJKHGP-UHFFFAOYSA-N 2 1 297.446 3.463 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCc2ccccc2CC1 ZINC000451713480 240347499 /nfs/dbraw/zinc/34/74/99/240347499.db2.gz SETROWAOEJKHGP-UHFFFAOYSA-N 2 1 297.446 3.463 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275632499 193091144 /nfs/dbraw/zinc/09/11/44/193091144.db2.gz SMJMPHJBCTVNBV-IRXDYDNUSA-N 2 1 283.419 3.056 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(F)cc1 ZINC000275650543 193095934 /nfs/dbraw/zinc/09/59/34/193095934.db2.gz CESDNSZSFRHKPQ-CABCVRRESA-N 2 1 278.415 3.203 20 0 CGADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000275650543 193095936 /nfs/dbraw/zinc/09/59/36/193095936.db2.gz CESDNSZSFRHKPQ-CABCVRRESA-N 2 1 278.415 3.203 20 0 CGADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000275650543 193095938 /nfs/dbraw/zinc/09/59/38/193095938.db2.gz CESDNSZSFRHKPQ-CABCVRRESA-N 2 1 278.415 3.203 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000275590813 193080950 /nfs/dbraw/zinc/08/09/50/193080950.db2.gz JVEWLWKXVNMLCJ-MAUKXSAKSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000275590813 193080952 /nfs/dbraw/zinc/08/09/52/193080952.db2.gz JVEWLWKXVNMLCJ-MAUKXSAKSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000275590813 193080953 /nfs/dbraw/zinc/08/09/53/193080953.db2.gz JVEWLWKXVNMLCJ-MAUKXSAKSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000275590813 193080955 /nfs/dbraw/zinc/08/09/55/193080955.db2.gz JVEWLWKXVNMLCJ-MAUKXSAKSA-N 2 1 290.451 3.246 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000459381379 242095469 /nfs/dbraw/zinc/09/54/69/242095469.db2.gz UVJVBFCOZUTQKC-OWLYRPNTSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000459381379 242095472 /nfs/dbraw/zinc/09/54/72/242095472.db2.gz UVJVBFCOZUTQKC-OWLYRPNTSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000459381379 242095477 /nfs/dbraw/zinc/09/54/77/242095477.db2.gz UVJVBFCOZUTQKC-OWLYRPNTSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000459381379 242095482 /nfs/dbraw/zinc/09/54/82/242095482.db2.gz UVJVBFCOZUTQKC-OWLYRPNTSA-N 2 1 272.436 3.205 20 0 CGADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C[NH+](C)C ZINC000459741887 242204688 /nfs/dbraw/zinc/20/46/88/242204688.db2.gz CCSROKJKPQQZEF-ZWKOTPCHSA-N 2 1 287.451 3.095 20 0 CGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459762917 242217374 /nfs/dbraw/zinc/21/73/74/242217374.db2.gz LWIZQYPWHPSECV-AWEZNQCLSA-N 2 1 289.398 3.284 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459762917 242217379 /nfs/dbraw/zinc/21/73/79/242217379.db2.gz LWIZQYPWHPSECV-AWEZNQCLSA-N 2 1 289.398 3.284 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459762917 242217385 /nfs/dbraw/zinc/21/73/85/242217385.db2.gz LWIZQYPWHPSECV-AWEZNQCLSA-N 2 1 289.398 3.284 20 0 CGADMP C[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000459770781 242224138 /nfs/dbraw/zinc/22/41/38/242224138.db2.gz HSYYCLUHBWDUOC-ZIAGYGMSSA-N 2 1 296.405 3.390 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2sccc2Cl)C1 ZINC000459785622 242231828 /nfs/dbraw/zinc/23/18/28/242231828.db2.gz OYCVZLAVZODADS-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1N(C)C ZINC000423187225 296118699 /nfs/dbraw/zinc/11/86/99/296118699.db2.gz XNHURBNHHJYVGV-CYBMUJFWSA-N 2 1 293.430 3.204 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000480660662 243160475 /nfs/dbraw/zinc/16/04/75/243160475.db2.gz GLWRQMGFSJHGMP-PBHICJAKSA-N 2 1 260.425 3.240 20 0 CGADMP CC[N@H+](CC[NH2+][C@H](Cc1ccccc1)C1CC1)C(C)C ZINC000482098552 243215971 /nfs/dbraw/zinc/21/59/71/243215971.db2.gz TYPDXNIFKQBDHX-GOSISDBHSA-N 2 1 274.452 3.328 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H](Cc1ccccc1)C1CC1)C(C)C ZINC000482098552 243215975 /nfs/dbraw/zinc/21/59/75/243215975.db2.gz TYPDXNIFKQBDHX-GOSISDBHSA-N 2 1 274.452 3.328 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000483735316 243296065 /nfs/dbraw/zinc/29/60/65/243296065.db2.gz QKDLJXHITJKJLL-MNEFBYGVSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000483735316 243296070 /nfs/dbraw/zinc/29/60/70/243296070.db2.gz QKDLJXHITJKJLL-MNEFBYGVSA-N 2 1 286.463 3.388 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CCSC2)C1 ZINC000486983543 243393174 /nfs/dbraw/zinc/39/31/74/243393174.db2.gz WJOKHXUZHNMSNH-ZNMIVQPWSA-N 2 1 284.513 3.086 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000034958918 368984156 /nfs/dbraw/zinc/98/41/56/368984156.db2.gz NDXBELWPQBDHHO-GVZPALNKSA-N 2 1 262.372 3.102 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996455 369047248 /nfs/dbraw/zinc/04/72/48/369047248.db2.gz XOZASSFMMFUZNR-HUUCEWRRSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996455 369047251 /nfs/dbraw/zinc/04/72/51/369047251.db2.gz XOZASSFMMFUZNR-HUUCEWRRSA-N 2 1 296.361 3.004 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000037292709 369079447 /nfs/dbraw/zinc/07/94/47/369079447.db2.gz GRDZHIMHAJTXTR-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000037292709 369079452 /nfs/dbraw/zinc/07/94/52/369079452.db2.gz GRDZHIMHAJTXTR-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000037644156 369093713 /nfs/dbraw/zinc/09/37/13/369093713.db2.gz KQLUNVXWSMHONR-KBPBESRZSA-N 2 1 272.392 3.425 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000037644156 369093714 /nfs/dbraw/zinc/09/37/14/369093714.db2.gz KQLUNVXWSMHONR-KBPBESRZSA-N 2 1 272.392 3.425 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649164 369094885 /nfs/dbraw/zinc/09/48/85/369094885.db2.gz TVKMVNGKZIYISZ-RHSMWYFYSA-N 2 1 258.409 3.212 20 0 CGADMP Cc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000037648925 369095089 /nfs/dbraw/zinc/09/50/89/369095089.db2.gz YPEIMHWNWLOCRB-GTPINHCMSA-N 2 1 284.447 3.315 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000037644369 369095324 /nfs/dbraw/zinc/09/53/24/369095324.db2.gz LEQXGMDLGTZQDD-FAEJEUNOSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCSc1ccccc1 ZINC000037904184 369124087 /nfs/dbraw/zinc/12/40/87/369124087.db2.gz ZQDVNFBKQYNNDW-YCPHGPKFSA-N 2 1 278.465 3.097 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000037786423 369113180 /nfs/dbraw/zinc/11/31/80/369113180.db2.gz PDJKECIWXVEIEJ-UHFFFAOYSA-N 2 1 264.388 3.178 20 0 CGADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)Cc1cccs1 ZINC000042519692 369224006 /nfs/dbraw/zinc/22/40/06/369224006.db2.gz DHQJPDKNACOYFT-UHFFFAOYSA-N 2 1 266.454 3.348 20 0 CGADMP CCC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000042577332 369225444 /nfs/dbraw/zinc/22/54/44/369225444.db2.gz RSZZUXGECRSPFB-RKVQBDSKSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[N@@H+](Cc1cc(C)ccc1C)C1CC[NH2+]CC1 ZINC000049257377 369394784 /nfs/dbraw/zinc/39/47/84/369394784.db2.gz HMWSOUOTAVONIR-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000049564836 369410689 /nfs/dbraw/zinc/41/06/89/369410689.db2.gz SIERRRWMPGXAOJ-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000049564836 369410696 /nfs/dbraw/zinc/41/06/96/369410696.db2.gz SIERRRWMPGXAOJ-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC[N@H+]2C1 ZINC000128111599 370959365 /nfs/dbraw/zinc/95/93/65/370959365.db2.gz CCDYGIJDJUPNKJ-BRWVUGGUSA-N 2 1 292.467 3.085 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000230047703 189804359 /nfs/dbraw/zinc/80/43/59/189804359.db2.gz DIFAGWRYTWNVEK-AEGPPILISA-N 2 1 298.352 3.265 20 0 CGADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000276369278 193303264 /nfs/dbraw/zinc/30/32/64/193303264.db2.gz ASPGNVNVPPOWOK-MRXNPFEDSA-N 2 1 257.381 3.094 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1csc(Cl)c1 ZINC000276480750 193349277 /nfs/dbraw/zinc/34/92/77/193349277.db2.gz GCHUZXKOAQKZMH-SNVBAGLBSA-N 2 1 270.829 3.314 20 0 CGADMP FC(F)(F)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000068634796 369744618 /nfs/dbraw/zinc/74/46/18/369744618.db2.gz OFRLVPYSIXWXOK-HOAMVYINSA-N 2 1 290.373 3.324 20 0 CGADMP FC(F)(F)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000068634796 369744621 /nfs/dbraw/zinc/74/46/21/369744621.db2.gz OFRLVPYSIXWXOK-HOAMVYINSA-N 2 1 290.373 3.324 20 0 CGADMP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000069381247 369757496 /nfs/dbraw/zinc/75/74/96/369757496.db2.gz MCHPPSGTTHRZLH-WCQYABFASA-N 2 1 290.373 3.324 20 0 CGADMP C1CC1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000081634915 369998413 /nfs/dbraw/zinc/99/84/13/369998413.db2.gz QZINAHNMQNNCKC-GOEBONIOSA-N 2 1 262.441 3.172 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C12CCCCC2 ZINC000087299156 370027555 /nfs/dbraw/zinc/02/75/55/370027555.db2.gz QBVKHEUXCIEQAQ-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)CC[N@H+]1C ZINC000090720836 370065591 /nfs/dbraw/zinc/06/55/91/370065591.db2.gz UFUMQCPXFNEWHT-FZMZJTMJSA-N 2 1 297.240 3.021 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043194 370089048 /nfs/dbraw/zinc/08/90/48/370089048.db2.gz IGTQYYLVRYTKTJ-YOEHRIQHSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043194 370089052 /nfs/dbraw/zinc/08/90/52/370089052.db2.gz IGTQYYLVRYTKTJ-YOEHRIQHSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043194 370089058 /nfs/dbraw/zinc/08/90/58/370089058.db2.gz IGTQYYLVRYTKTJ-YOEHRIQHSA-N 2 1 284.403 3.349 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCCCC1 ZINC000423258335 296153315 /nfs/dbraw/zinc/15/33/15/296153315.db2.gz BJAUSCWNSKVDAY-CJNGLKHVSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000093515878 370139274 /nfs/dbraw/zinc/13/92/74/370139274.db2.gz KRHXFWAPVXLXJE-KZNAEPCWSA-N 3 1 295.515 3.009 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000093644421 370151258 /nfs/dbraw/zinc/15/12/58/370151258.db2.gz ZHPXPRPTPKXCAX-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000093644421 370151259 /nfs/dbraw/zinc/15/12/59/370151259.db2.gz ZHPXPRPTPKXCAX-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000093644421 370151260 /nfs/dbraw/zinc/15/12/60/370151260.db2.gz ZHPXPRPTPKXCAX-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000093644421 370151261 /nfs/dbraw/zinc/15/12/61/370151261.db2.gz ZHPXPRPTPKXCAX-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP CCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512239684 245028058 /nfs/dbraw/zinc/02/80/58/245028058.db2.gz ATZIFNUKFKUHJD-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP CCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512239684 245028062 /nfs/dbraw/zinc/02/80/62/245028062.db2.gz ATZIFNUKFKUHJD-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP CCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512239684 245028067 /nfs/dbraw/zinc/02/80/67/245028067.db2.gz ATZIFNUKFKUHJD-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000343971608 217000195 /nfs/dbraw/zinc/00/01/95/217000195.db2.gz CTPJAJCIDJUDTG-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000343971608 217000196 /nfs/dbraw/zinc/00/01/96/217000196.db2.gz CTPJAJCIDJUDTG-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccsc1 ZINC000119030628 370638151 /nfs/dbraw/zinc/63/81/51/370638151.db2.gz AKDGSUSSVZMZRQ-AWEZNQCLSA-N 2 1 252.427 3.054 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C12CCCCC2 ZINC000119044511 370639108 /nfs/dbraw/zinc/63/91/08/370639108.db2.gz HWVQKABOELEVEE-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C12CCCCC2 ZINC000119044511 370639111 /nfs/dbraw/zinc/63/91/11/370639111.db2.gz HWVQKABOELEVEE-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP CCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130623658 371046634 /nfs/dbraw/zinc/04/66/34/371046634.db2.gz UKHWHEZEZJEBLL-JQHSSLGASA-N 2 1 288.435 3.035 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3ncccc3c2)CCN1C ZINC000130645040 371048073 /nfs/dbraw/zinc/04/80/73/371048073.db2.gz JXVNCPYTQUSJOX-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000130645040 371048076 /nfs/dbraw/zinc/04/80/76/371048076.db2.gz JXVNCPYTQUSJOX-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3ncccc3c2)CC[NH+]1C ZINC000130645040 371048084 /nfs/dbraw/zinc/04/80/84/371048084.db2.gz JXVNCPYTQUSJOX-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c(C)s1 ZINC000219716642 376203042 /nfs/dbraw/zinc/20/30/42/376203042.db2.gz CKXCNYCIKMAVKU-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000219716642 376203051 /nfs/dbraw/zinc/20/30/51/376203051.db2.gz CKXCNYCIKMAVKU-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000219716642 376203064 /nfs/dbraw/zinc/20/30/64/376203064.db2.gz CKXCNYCIKMAVKU-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000219716571 376203080 /nfs/dbraw/zinc/20/30/80/376203080.db2.gz CKXCNYCIKMAVKU-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c(C)s1 ZINC000219716571 376203087 /nfs/dbraw/zinc/20/30/87/376203087.db2.gz CKXCNYCIKMAVKU-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000219716571 376203095 /nfs/dbraw/zinc/20/30/95/376203095.db2.gz CKXCNYCIKMAVKU-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000219716571 376203106 /nfs/dbraw/zinc/20/31/06/376203106.db2.gz CKXCNYCIKMAVKU-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000219716642 376203029 /nfs/dbraw/zinc/20/30/29/376203029.db2.gz CKXCNYCIKMAVKU-GJZGRUSLSA-N 2 1 264.438 3.081 20 0 CGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC[NH3+] ZINC000133228104 371237131 /nfs/dbraw/zinc/23/71/31/371237131.db2.gz WYDFKDXOPMDTJT-VIFPVBQESA-N 2 1 261.196 3.335 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1coc2ccccc12 ZINC000133361680 371245544 /nfs/dbraw/zinc/24/55/44/371245544.db2.gz FRKZAICEBRTERP-HNNXBMFYSA-N 2 1 260.381 3.238 20 0 CGADMP CCc1nc(NCc2ccc(CC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC000286635528 371530047 /nfs/dbraw/zinc/53/00/47/371530047.db2.gz KSKMZZGDIPZIAM-UHFFFAOYSA-N 2 1 298.434 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421821852 371643238 /nfs/dbraw/zinc/64/32/38/371643238.db2.gz ULROTYRKTMLGKJ-OLZOCXBDSA-N 2 1 298.833 3.342 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2OC)C1 ZINC000421822454 371644781 /nfs/dbraw/zinc/64/47/81/371644781.db2.gz XBHXYKFDIORHJI-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2OC)C1 ZINC000421822454 371644786 /nfs/dbraw/zinc/64/47/86/371644786.db2.gz XBHXYKFDIORHJI-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000421839587 371663065 /nfs/dbraw/zinc/66/30/65/371663065.db2.gz XUAKYIGVCSMPDW-GFCCVEGCSA-N 2 1 294.826 3.261 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353316340 220023507 /nfs/dbraw/zinc/02/35/07/220023507.db2.gz SNBZDNPKFKZQHV-OLZOCXBDSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152489540 371697865 /nfs/dbraw/zinc/69/78/65/371697865.db2.gz MRRSMNWOHVTOGO-LXIYXOSZSA-N 2 1 288.410 3.133 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422562656 371752087 /nfs/dbraw/zinc/75/20/87/371752087.db2.gz QPCXBTPGFWRGPP-YTFPOELNSA-N 2 1 276.399 3.144 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422697752 371757241 /nfs/dbraw/zinc/75/72/41/371757241.db2.gz VZTXWSIHEDHIMF-AWEZNQCLSA-N 2 1 299.418 3.272 20 0 CGADMP C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1c[nH+]ccc1N ZINC000422739677 371778041 /nfs/dbraw/zinc/77/80/41/371778041.db2.gz LVTFRIDFRYZCMU-HNNXBMFYSA-N 2 1 298.434 3.061 20 0 CGADMP c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422748998 371782103 /nfs/dbraw/zinc/78/21/03/371782103.db2.gz WZEWWBKPEBGOAD-ROUUACIJSA-N 2 1 266.388 3.270 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337325670 214009258 /nfs/dbraw/zinc/00/92/58/214009258.db2.gz CBVRCNDHVGEDID-AEFFLSMTSA-N 2 1 289.467 3.428 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000422755064 371786967 /nfs/dbraw/zinc/78/69/67/371786967.db2.gz FJEUSEPSRJMBMT-IUODEOHRSA-N 2 1 268.351 3.148 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000337340008 214017318 /nfs/dbraw/zinc/01/73/18/214017318.db2.gz OZGOLDJPKQTVPI-CGTJXYLNSA-N 2 1 287.451 3.038 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422821294 371829382 /nfs/dbraw/zinc/82/93/82/371829382.db2.gz VIWUCWSVMLKBMX-BPUTZDHNSA-N 2 1 294.414 3.103 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000422774028 371796586 /nfs/dbraw/zinc/79/65/86/371796586.db2.gz ZTOIZONFAPHGJX-WQGACYEGSA-N 2 1 282.378 3.394 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422812818 371824575 /nfs/dbraw/zinc/82/45/75/371824575.db2.gz RATUGTSPZKTQQW-HYVNUMGLSA-N 2 1 260.425 3.014 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C3C[NH2+]C3)c(C)c2c1 ZINC000422858174 371843253 /nfs/dbraw/zinc/84/32/53/371843253.db2.gz HXENHDDCVCAZPI-RYUDHWBXSA-N 2 1 288.391 3.008 20 0 CGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000154886742 371887025 /nfs/dbraw/zinc/88/70/25/371887025.db2.gz IXXNCBHAARXAQF-SFHVURJKSA-N 2 1 290.451 3.041 20 0 CGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000154472281 371848432 /nfs/dbraw/zinc/84/84/32/371848432.db2.gz YDAWMMYQGVCUBZ-SFHVURJKSA-N 2 1 295.515 3.129 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CCCC3)CC[NH2+]2)cc1 ZINC000422899054 371860815 /nfs/dbraw/zinc/86/08/15/371860815.db2.gz NMBXSKPETVGZJP-DLBZAZTESA-N 2 1 258.409 3.260 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCS2 ZINC000422909406 371862837 /nfs/dbraw/zinc/86/28/37/371862837.db2.gz FUVQWUDUEBWOSP-YOOVYSLHSA-N 2 1 292.423 3.235 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000422910818 371862972 /nfs/dbraw/zinc/86/29/72/371862972.db2.gz JKSHNJXDXSZONH-RWMBFGLXSA-N 2 1 293.480 3.061 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000422921091 371869251 /nfs/dbraw/zinc/86/92/51/371869251.db2.gz OUKGXONPMVKYES-HRCADAONSA-N 2 1 296.842 3.277 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422919930 371869789 /nfs/dbraw/zinc/86/97/89/371869789.db2.gz LAEJKGVHLJCSCJ-JLSDUUJJSA-N 2 1 287.451 3.353 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccccc1C ZINC000422923761 371874271 /nfs/dbraw/zinc/87/42/71/371874271.db2.gz XABLCTZUGHKRHQ-HUUCEWRRSA-N 2 1 299.418 3.311 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422948498 371886506 /nfs/dbraw/zinc/88/65/06/371886506.db2.gz SAHDAXXBJMGFBH-UONOGXRCSA-N 2 1 284.350 3.038 20 0 CGADMP C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422932231 371877604 /nfs/dbraw/zinc/87/76/04/371877604.db2.gz FEUWCSKZSBFGKE-SCLBCKFNSA-N 2 1 284.378 3.113 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422937332 371881654 /nfs/dbraw/zinc/88/16/54/371881654.db2.gz JMJAWVCSWJGHGV-RTBURBONSA-N 2 1 296.414 3.235 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423052331 371935632 /nfs/dbraw/zinc/93/56/32/371935632.db2.gz QHIIJNUOLKQLLV-LRDDRELGSA-N 2 1 272.392 3.014 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCSCC(C)C)CC1 ZINC000154916363 371891492 /nfs/dbraw/zinc/89/14/92/371891492.db2.gz VCCWGXDKBRXBDW-UHFFFAOYSA-N 2 1 272.502 3.182 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCSCC(C)C)CC1 ZINC000154916363 371891501 /nfs/dbraw/zinc/89/15/01/371891501.db2.gz VCCWGXDKBRXBDW-UHFFFAOYSA-N 2 1 272.502 3.182 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422960501 371892709 /nfs/dbraw/zinc/89/27/09/371892709.db2.gz WOLRCYMBJZRHPA-AWEZNQCLSA-N 2 1 299.418 3.347 20 0 CGADMP COc1cc(C)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423000291 371907981 /nfs/dbraw/zinc/90/79/81/371907981.db2.gz GOBOEABWQAHVNX-BEFAXECRSA-N 2 1 298.430 3.052 20 0 CGADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423063992 371943516 /nfs/dbraw/zinc/94/35/16/371943516.db2.gz QHHJDYTXQAXITF-VNQPRFMTSA-N 2 1 296.817 3.489 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(F)c1F ZINC000423025447 371921936 /nfs/dbraw/zinc/92/19/36/371921936.db2.gz OHKMFUXDNZEXCU-SDDRHHMPSA-N 2 1 268.351 3.004 20 0 CGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CCO1 ZINC000423042201 371929592 /nfs/dbraw/zinc/92/95/92/371929592.db2.gz KMZOPQZRIFMRAY-JDFRZJQESA-N 2 1 291.439 3.129 20 0 CGADMP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000423048155 371934017 /nfs/dbraw/zinc/93/40/17/371934017.db2.gz IFEIYSRJDYRFIH-BRWVUGGUSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423096705 371961033 /nfs/dbraw/zinc/96/10/33/371961033.db2.gz IDGSVOXYUYTGIM-YKWDICOMSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423105422 371967381 /nfs/dbraw/zinc/96/73/81/371967381.db2.gz NFINGPUAFMCSKI-WCQYABFASA-N 2 1 286.872 3.312 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)c2ccccc21 ZINC000423104118 371968287 /nfs/dbraw/zinc/96/82/87/371968287.db2.gz GQZURUBSINKRBV-NEPJUHHUSA-N 2 1 270.298 3.063 20 0 CGADMP Cc1cc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1Cl ZINC000423133862 371984612 /nfs/dbraw/zinc/98/46/12/371984612.db2.gz DJBCSZXXTRWSAU-LBPRGKRZSA-N 2 1 289.810 3.349 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000156576121 371986642 /nfs/dbraw/zinc/98/66/42/371986642.db2.gz SORGABBTIRHDGD-DDUZABMNSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000156576121 371986650 /nfs/dbraw/zinc/98/66/50/371986650.db2.gz SORGABBTIRHDGD-DDUZABMNSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1c[nH+]ccc1N ZINC000423142912 371987981 /nfs/dbraw/zinc/98/79/81/371987981.db2.gz BPSVZZHCGCSSFF-VXGBXAGGSA-N 2 1 285.416 3.034 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000423067745 371946148 /nfs/dbraw/zinc/94/61/48/371946148.db2.gz IHDLKBITMWBUJK-GJZGRUSLSA-N 2 1 296.842 3.488 20 0 CGADMP Cc1cscc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423091681 371956763 /nfs/dbraw/zinc/95/67/63/371956763.db2.gz YDULBEVVFWUJGP-BBRMVZONSA-N 2 1 274.433 3.105 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCC1 ZINC000423187330 372014722 /nfs/dbraw/zinc/01/47/22/372014722.db2.gz MLVOMNSMBDEQOR-QGZVFWFLSA-N 2 1 275.440 3.120 20 0 CGADMP CC(C)CC[C@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1 ZINC000423192482 372019067 /nfs/dbraw/zinc/01/90/67/372019067.db2.gz VOXYCBIKQOKBFF-AWEZNQCLSA-N 2 1 254.805 3.366 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423196781 372021952 /nfs/dbraw/zinc/02/19/52/372021952.db2.gz WHAGKOFDPPVQLB-SLEUVZQESA-N 2 1 266.816 3.174 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3c(O)cccc32)CCCCCC1 ZINC000423201609 372025386 /nfs/dbraw/zinc/02/53/86/372025386.db2.gz PCRHFGAFKVZMBQ-INIZCTEOSA-N 2 1 288.435 3.411 20 0 CGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000290639647 372031696 /nfs/dbraw/zinc/03/16/96/372031696.db2.gz YKJBJBAEWGSSRY-SWLSCSKDSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000290639647 372031703 /nfs/dbraw/zinc/03/17/03/372031703.db2.gz YKJBJBAEWGSSRY-SWLSCSKDSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000290639647 372031713 /nfs/dbraw/zinc/03/17/13/372031713.db2.gz YKJBJBAEWGSSRY-SWLSCSKDSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000290639647 372031720 /nfs/dbraw/zinc/03/17/20/372031720.db2.gz YKJBJBAEWGSSRY-SWLSCSKDSA-N 2 1 296.842 3.121 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000157947986 372043996 /nfs/dbraw/zinc/04/39/96/372043996.db2.gz ROSVQULSRDQBNJ-HZPDHXFCSA-N 2 1 296.499 3.434 20 0 CGADMP c1ccc([C@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423300775 372049840 /nfs/dbraw/zinc/04/98/40/372049840.db2.gz FNNIAGFMGJRZDI-BBWFWOEESA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000423423270 372062150 /nfs/dbraw/zinc/06/21/50/372062150.db2.gz DTIQNDAOJRDOMT-LJISPDSOSA-N 2 1 298.352 3.210 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cs1 ZINC000423184039 372011440 /nfs/dbraw/zinc/01/14/40/372011440.db2.gz HMBBFBLVIHNHCW-AWEZNQCLSA-N 2 1 289.448 3.282 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423186888 372014614 /nfs/dbraw/zinc/01/46/14/372014614.db2.gz ONJYOXKQBWFSPF-AWEZNQCLSA-N 2 1 282.815 3.141 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423442397 372064173 /nfs/dbraw/zinc/06/41/73/372064173.db2.gz BRXHODTVEMNZFV-DEYYWGMASA-N 2 1 286.394 3.435 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423478906 372068463 /nfs/dbraw/zinc/06/84/63/372068463.db2.gz UWDNXMFFAVSMKP-QMTHXVAHSA-N 2 1 252.789 3.044 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000423531468 372071971 /nfs/dbraw/zinc/07/19/71/372071971.db2.gz QKSSURRZOQKKCR-IAGOWNOFSA-N 2 1 258.409 3.171 20 0 CGADMP C[C@H](c1cccc(F)c1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292991123 372270294 /nfs/dbraw/zinc/27/02/94/372270294.db2.gz OALMDUGCEIMLKG-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292991123 372270297 /nfs/dbraw/zinc/27/02/97/372270297.db2.gz OALMDUGCEIMLKG-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292991123 372270302 /nfs/dbraw/zinc/27/03/02/372270302.db2.gz OALMDUGCEIMLKG-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292991123 372270305 /nfs/dbraw/zinc/27/03/05/372270305.db2.gz OALMDUGCEIMLKG-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292991123 372270310 /nfs/dbraw/zinc/27/03/10/372270310.db2.gz OALMDUGCEIMLKG-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292991123 372270314 /nfs/dbraw/zinc/27/03/14/372270314.db2.gz OALMDUGCEIMLKG-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292991123 372270317 /nfs/dbraw/zinc/27/03/17/372270317.db2.gz OALMDUGCEIMLKG-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292991128 372270846 /nfs/dbraw/zinc/27/08/46/372270846.db2.gz OALMDUGCEIMLKG-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292991128 372270856 /nfs/dbraw/zinc/27/08/56/372270856.db2.gz OALMDUGCEIMLKG-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292991128 372270860 /nfs/dbraw/zinc/27/08/60/372270860.db2.gz OALMDUGCEIMLKG-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292991128 372270868 /nfs/dbraw/zinc/27/08/68/372270868.db2.gz OALMDUGCEIMLKG-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292991128 372270874 /nfs/dbraw/zinc/27/08/74/372270874.db2.gz OALMDUGCEIMLKG-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292991128 372270880 /nfs/dbraw/zinc/27/08/80/372270880.db2.gz OALMDUGCEIMLKG-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292991128 372270889 /nfs/dbraw/zinc/27/08/89/372270889.db2.gz OALMDUGCEIMLKG-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000161518670 372331299 /nfs/dbraw/zinc/33/12/99/372331299.db2.gz OBKCXBTXSXKZMK-GOSISDBHSA-N 2 1 274.452 3.246 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000430754157 372396273 /nfs/dbraw/zinc/39/62/73/372396273.db2.gz MTZAGWVZCWIFTQ-BSDSXHPESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000163490866 372472961 /nfs/dbraw/zinc/47/29/61/372472961.db2.gz QJCOAPUXAGGHGR-STQMWFEESA-N 2 1 274.433 3.318 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000162804315 372422487 /nfs/dbraw/zinc/42/24/87/372422487.db2.gz FXLUMGCYEWCWED-DZOHQFGASA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000162804315 372422494 /nfs/dbraw/zinc/42/24/94/372422494.db2.gz FXLUMGCYEWCWED-DZOHQFGASA-N 2 1 272.436 3.395 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000162828106 372426694 /nfs/dbraw/zinc/42/66/94/372426694.db2.gz VJZUAOPVVRVTMP-OAHLLOKOSA-N 2 1 275.421 3.480 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000162828106 372426701 /nfs/dbraw/zinc/42/67/01/372426701.db2.gz VJZUAOPVVRVTMP-OAHLLOKOSA-N 2 1 275.421 3.480 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCCCC1 ZINC000163309254 372459144 /nfs/dbraw/zinc/45/91/44/372459144.db2.gz NDMAJMPDFSETLI-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](OCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000163357094 372463853 /nfs/dbraw/zinc/46/38/53/372463853.db2.gz QXXUCZJLENPDJA-RYRKJORJSA-N 2 1 290.451 3.227 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000163398750 372466869 /nfs/dbraw/zinc/46/68/69/372466869.db2.gz KNCYKCVGHMEFLY-RYUDHWBXSA-N 2 1 266.351 3.039 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000164849664 372536557 /nfs/dbraw/zinc/53/65/57/372536557.db2.gz SJDCZOLRXYXPHU-DOTOQJQBSA-N 2 1 274.452 3.202 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000163643651 372484510 /nfs/dbraw/zinc/48/45/10/372484510.db2.gz GGQQPAUCWZJXER-UHFFFAOYSA-N 2 1 272.795 3.301 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1cccs1 ZINC000167477910 372595990 /nfs/dbraw/zinc/59/59/90/372595990.db2.gz USTPAPXFFYJMIB-DSJMHWKBSA-N 2 1 280.481 3.245 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000344489147 217208089 /nfs/dbraw/zinc/20/80/89/217208089.db2.gz XGAFGEHTOIIPTB-BMFZPTHFSA-N 2 1 250.430 3.172 20 0 CGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435394447 372757469 /nfs/dbraw/zinc/75/74/69/372757469.db2.gz KHTSLQBJDWPGHY-OAHLLOKOSA-N 2 1 296.414 3.143 20 0 CGADMP CCCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687851 372794794 /nfs/dbraw/zinc/79/47/94/372794794.db2.gz JNGAWESVZCNMCW-CQSZACIVSA-N 2 1 293.480 3.277 20 0 CGADMP CC[N@@H+](Cc1ccc2ccccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000435624243 372786778 /nfs/dbraw/zinc/78/67/78/372786778.db2.gz FGOUTAGQYOCDSO-KRWDZBQOSA-N 2 1 283.419 3.199 20 0 CGADMP C[NH2+]CCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000435885357 372823724 /nfs/dbraw/zinc/82/37/24/372823724.db2.gz IZKMGOHNTCNINN-KRWDZBQOSA-N 2 1 258.409 3.138 20 0 CGADMP C([NH2+]C1CCCC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435742027 372801757 /nfs/dbraw/zinc/80/17/57/372801757.db2.gz LLVAKJRTQGZWFL-INIZCTEOSA-N 2 1 250.430 3.316 20 0 CGADMP Cc1ccsc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353500192 220121098 /nfs/dbraw/zinc/12/10/98/220121098.db2.gz WTVQLNBLNHFJGW-MJBXVCDLSA-N 2 1 264.438 3.019 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000344769375 217304517 /nfs/dbraw/zinc/30/45/17/217304517.db2.gz KLHCNMKOYYAERW-NVXWUHKLSA-N 2 1 275.440 3.072 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)cc(Cl)c1 ZINC000353523421 220134619 /nfs/dbraw/zinc/13/46/19/220134619.db2.gz UDNFECJZXPOLNM-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(Cl)c1 ZINC000353523421 220134622 /nfs/dbraw/zinc/13/46/22/220134622.db2.gz UDNFECJZXPOLNM-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000353530469 220139248 /nfs/dbraw/zinc/13/92/48/220139248.db2.gz MSVFYNLSMLVPRI-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC4CC4)C3)C2)cc1 ZINC000353530469 220139252 /nfs/dbraw/zinc/13/92/52/220139252.db2.gz MSVFYNLSMLVPRI-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC4CC4)C3)C2)cc1 ZINC000353530469 220139255 /nfs/dbraw/zinc/13/92/55/220139255.db2.gz MSVFYNLSMLVPRI-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000443075883 373148436 /nfs/dbraw/zinc/14/84/36/373148436.db2.gz RPSNCHNIQHGWMO-ZDUSSCGKSA-N 2 1 293.480 3.362 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918301 373215478 /nfs/dbraw/zinc/21/54/78/373215478.db2.gz OBKFDVINGAWUTB-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918301 373215485 /nfs/dbraw/zinc/21/54/85/373215485.db2.gz OBKFDVINGAWUTB-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918301 373215492 /nfs/dbraw/zinc/21/54/92/373215492.db2.gz OBKFDVINGAWUTB-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444202327 373176165 /nfs/dbraw/zinc/17/61/65/373176165.db2.gz DCORUKOJPQCQPH-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(F)c1F ZINC000173958835 373224632 /nfs/dbraw/zinc/22/46/32/373224632.db2.gz TWZOTWZYHGDNBC-AWEZNQCLSA-N 2 1 282.378 3.271 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000444570210 373203037 /nfs/dbraw/zinc/20/30/37/373203037.db2.gz HHMGTGPKPLFGKF-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000173886767 373207970 /nfs/dbraw/zinc/20/79/70/373207970.db2.gz YTFQYHGVEUHKPA-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444699459 373242122 /nfs/dbraw/zinc/24/21/22/373242122.db2.gz DFWYEKRSESQCOZ-UHFFFAOYSA-N 2 1 293.361 3.382 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444699459 373242126 /nfs/dbraw/zinc/24/21/26/373242126.db2.gz DFWYEKRSESQCOZ-UHFFFAOYSA-N 2 1 293.361 3.382 20 0 CGADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000174515838 373331260 /nfs/dbraw/zinc/33/12/60/373331260.db2.gz QWZMMFWJRWIEAJ-NVXWUHKLSA-N 2 1 290.451 3.294 20 0 CGADMP Cc1ccc2c(CC[NH2+]C3CC[NH+](C4CC4)CC3)c[nH]c2c1 ZINC000298561926 373355322 /nfs/dbraw/zinc/35/53/22/373355322.db2.gz WBKAQJWVUWXIFU-UHFFFAOYSA-N 2 1 297.446 3.235 20 0 CGADMP CC[N@H+]1CCC[C@@H](CNCc2ncc(C(C)(C)C)s2)C1 ZINC000447898715 373519844 /nfs/dbraw/zinc/51/98/44/373519844.db2.gz YGAVQAOYCXVXKO-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353646492 220219685 /nfs/dbraw/zinc/21/96/85/220219685.db2.gz IRMUZCPFIABJSC-KRWDZBQOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353646492 220219690 /nfs/dbraw/zinc/21/96/90/220219690.db2.gz IRMUZCPFIABJSC-KRWDZBQOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000353646492 220219694 /nfs/dbraw/zinc/21/96/94/220219694.db2.gz IRMUZCPFIABJSC-KRWDZBQOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000353646492 220219699 /nfs/dbraw/zinc/21/96/99/220219699.db2.gz IRMUZCPFIABJSC-KRWDZBQOSA-N 2 1 278.415 3.440 20 0 CGADMP Clc1c[nH+]ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000176822523 373632518 /nfs/dbraw/zinc/63/25/18/373632518.db2.gz SEOBSDQKYPCTLR-UHFFFAOYSA-N 2 1 265.788 3.021 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)C2CCCC2)C1 ZINC000449095364 373661743 /nfs/dbraw/zinc/66/17/43/373661743.db2.gz XYEYENKWIPDWTO-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000449441884 373717674 /nfs/dbraw/zinc/71/76/74/373717674.db2.gz UTKQIRJHWSHZIR-DQEVTTJGSA-N 2 1 284.447 3.285 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C1CCCCC1 ZINC000177296065 373671970 /nfs/dbraw/zinc/67/19/70/373671970.db2.gz JIAPQGKXILFEOY-UONOGXRCSA-N 2 1 263.429 3.386 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000177944621 373727577 /nfs/dbraw/zinc/72/75/77/373727577.db2.gz SVLPJDIABDGMNU-KSSFIOAISA-N 2 1 284.447 3.483 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc2ccccc2n1 ZINC000178030256 373738104 /nfs/dbraw/zinc/73/81/04/373738104.db2.gz RPZFFFRFHXFFFD-LSDHHAIUSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2ccccc2n1 ZINC000178030256 373738106 /nfs/dbraw/zinc/73/81/06/373738106.db2.gz RPZFFFRFHXFFFD-LSDHHAIUSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000178030256 373738116 /nfs/dbraw/zinc/73/81/16/373738116.db2.gz RPZFFFRFHXFFFD-LSDHHAIUSA-N 2 1 283.419 3.227 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178957630 373821503 /nfs/dbraw/zinc/82/15/03/373821503.db2.gz MEIUMYHNVVTNAE-INIZCTEOSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccn1)C1CC1 ZINC000179257154 373851083 /nfs/dbraw/zinc/85/10/83/373851083.db2.gz WGYCLEKYUMCTDI-UHFFFAOYSA-N 2 1 284.407 3.031 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000179257154 373851095 /nfs/dbraw/zinc/85/10/95/373851095.db2.gz WGYCLEKYUMCTDI-UHFFFAOYSA-N 2 1 284.407 3.031 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000302380994 373859839 /nfs/dbraw/zinc/85/98/39/373859839.db2.gz IHIDUNZUMDJHSF-QWHCGFSZSA-N 2 1 262.388 3.117 20 0 CGADMP CCc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000450235164 374013034 /nfs/dbraw/zinc/01/30/34/374013034.db2.gz UQPWHYDRJKQVMG-UHFFFAOYSA-N 2 1 295.430 3.356 20 0 CGADMP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353676763 220250608 /nfs/dbraw/zinc/25/06/08/220250608.db2.gz WKNJZWWJCZHDEF-YOHUBWIESA-N 2 1 294.483 3.044 20 0 CGADMP CCCCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000181425866 374122296 /nfs/dbraw/zinc/12/22/96/374122296.db2.gz MHRWWKZOXUXUOG-IRXDYDNUSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)C1=CCCC1 ZINC000308772083 374180374 /nfs/dbraw/zinc/18/03/74/374180374.db2.gz ZGZMAFOSLLWBFG-UHFFFAOYSA-N 2 1 262.441 3.339 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448771 374138078 /nfs/dbraw/zinc/13/80/78/374138078.db2.gz DKZXDDGUTJWBQV-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc(C(C)C)n1 ZINC000311665482 374251921 /nfs/dbraw/zinc/25/19/21/374251921.db2.gz GXLXOLZDYJEBIE-CYBMUJFWSA-N 2 1 264.417 3.049 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C[NH+](C)C ZINC000312466178 374279879 /nfs/dbraw/zinc/27/98/79/374279879.db2.gz FYUNUYZWMUNFQD-JTQLQIEISA-N 2 1 292.320 3.132 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc2ccccc2c1 ZINC000312171941 374271846 /nfs/dbraw/zinc/27/18/46/374271846.db2.gz XBLXINLAZNXDAQ-INIZCTEOSA-N 2 1 271.408 3.040 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000312171941 374271855 /nfs/dbraw/zinc/27/18/55/374271855.db2.gz XBLXINLAZNXDAQ-INIZCTEOSA-N 2 1 271.408 3.040 20 0 CGADMP Clc1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000311590810 374249151 /nfs/dbraw/zinc/24/91/51/374249151.db2.gz AJZXCNLVIJKWTH-TXEJJXNPSA-N 2 1 299.245 3.425 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000182591748 374293653 /nfs/dbraw/zinc/29/36/53/374293653.db2.gz YIKJOCRWHUEDAV-YOEHRIQHSA-N 2 1 262.441 3.195 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700411 374336714 /nfs/dbraw/zinc/33/67/14/374336714.db2.gz BWPSWVCYQAQEKX-HLLBOEOZSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700411 374336720 /nfs/dbraw/zinc/33/67/20/374336720.db2.gz BWPSWVCYQAQEKX-HLLBOEOZSA-N 3 1 298.434 3.006 20 0 CGADMP CN(CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000317010255 374337464 /nfs/dbraw/zinc/33/74/64/374337464.db2.gz BABRPGMYCPOMTL-RTBURBONSA-N 2 1 295.430 3.247 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453417781 374474321 /nfs/dbraw/zinc/47/43/21/374474321.db2.gz YAQCJEDHRVCIKX-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000089513188 541953186 /nfs/dbraw/zinc/95/31/86/541953186.db2.gz WNAJEGSQFMQRTG-LLVKDONJSA-N 2 1 281.469 3.365 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090118844 541957799 /nfs/dbraw/zinc/95/77/99/541957799.db2.gz ZMUOHLGJGRENKP-CRAIPNDOSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000090118844 541957803 /nfs/dbraw/zinc/95/78/03/541957803.db2.gz ZMUOHLGJGRENKP-CRAIPNDOSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000090403577 541959691 /nfs/dbraw/zinc/95/96/91/541959691.db2.gz FBLGQGNWCSDQGD-CHWSQXEVSA-N 2 1 281.469 3.224 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000185468329 374667218 /nfs/dbraw/zinc/66/72/18/374667218.db2.gz UFMQBNWWRMFPHU-CQSZACIVSA-N 2 1 294.414 3.133 20 0 CGADMP FC1(F)CC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000334347748 374672862 /nfs/dbraw/zinc/67/28/62/374672862.db2.gz XUXSARSVQRBCRT-AWEZNQCLSA-N 2 1 286.410 3.372 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459793860 374820773 /nfs/dbraw/zinc/82/07/73/374820773.db2.gz UAXPOORRLIRIQF-BBWFWOEESA-N 2 1 264.457 3.300 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000094357718 541986599 /nfs/dbraw/zinc/98/65/99/541986599.db2.gz MTTICUFBTUKLTO-DLBZAZTESA-N 2 1 270.420 3.280 20 0 CGADMP c1cn(-c2ccc(C[N@H+]3CCCC4(CC4)C3)cc2)cn1 ZINC000186624108 374888565 /nfs/dbraw/zinc/88/85/65/374888565.db2.gz JBQZQKKHAMDOEI-UHFFFAOYSA-N 2 1 267.376 3.248 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000186470161 374857956 /nfs/dbraw/zinc/85/79/56/374857956.db2.gz MBDMEWPCTOCPHE-AWEZNQCLSA-N 2 1 278.465 3.159 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000334646516 374939213 /nfs/dbraw/zinc/93/92/13/374939213.db2.gz YCBDFYOIGTXRHQ-SNVBAGLBSA-N 2 1 296.201 3.364 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+]1CCCC1 ZINC000186982192 374949075 /nfs/dbraw/zinc/94/90/75/374949075.db2.gz AAZIPMUHRMZUHA-HOCLYGCPSA-N 2 1 284.513 3.228 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000467421682 374973737 /nfs/dbraw/zinc/97/37/37/374973737.db2.gz YSVOWJJZYLLVQL-YFHUEUNASA-N 2 1 272.436 3.171 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000467421682 374973742 /nfs/dbraw/zinc/97/37/42/374973742.db2.gz YSVOWJJZYLLVQL-YFHUEUNASA-N 2 1 272.436 3.171 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000334735518 375018233 /nfs/dbraw/zinc/01/82/33/375018233.db2.gz QAHWIFQRTOCVDY-WCQYABFASA-N 2 1 289.810 3.057 20 0 CGADMP CC[N@H+](CCc1cccs1)CC[C@H]1CCCC[NH+]1C ZINC000472763213 375033854 /nfs/dbraw/zinc/03/38/54/375033854.db2.gz GDMUWJFFWDOKPK-OAHLLOKOSA-N 2 1 280.481 3.487 20 0 CGADMP CC[NH+](CCc1cccs1)CC[C@H]1CCCC[N@@H+]1C ZINC000472763213 375033862 /nfs/dbraw/zinc/03/38/62/375033862.db2.gz GDMUWJFFWDOKPK-OAHLLOKOSA-N 2 1 280.481 3.487 20 0 CGADMP CC[NH+](CCc1cccs1)CC[C@H]1CCCC[N@H+]1C ZINC000472763213 375033870 /nfs/dbraw/zinc/03/38/70/375033870.db2.gz GDMUWJFFWDOKPK-OAHLLOKOSA-N 2 1 280.481 3.487 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000474269272 375094222 /nfs/dbraw/zinc/09/42/22/375094222.db2.gz KJADSJMIEKPDFD-AWEZNQCLSA-N 2 1 278.415 3.162 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000474269272 375094226 /nfs/dbraw/zinc/09/42/26/375094226.db2.gz KJADSJMIEKPDFD-AWEZNQCLSA-N 2 1 278.415 3.162 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000474269272 375094230 /nfs/dbraw/zinc/09/42/30/375094230.db2.gz KJADSJMIEKPDFD-AWEZNQCLSA-N 2 1 278.415 3.162 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000474269272 375094235 /nfs/dbraw/zinc/09/42/35/375094235.db2.gz KJADSJMIEKPDFD-AWEZNQCLSA-N 2 1 278.415 3.162 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224197623 296226336 /nfs/dbraw/zinc/22/63/36/296226336.db2.gz NRRPSGBCPCNJRP-QWRGUYRKSA-N 2 1 272.314 3.047 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000187957981 375126283 /nfs/dbraw/zinc/12/62/83/375126283.db2.gz XOYXJKICQZGDJQ-UONOGXRCSA-N 2 1 289.398 3.188 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189080112 375322753 /nfs/dbraw/zinc/32/27/53/375322753.db2.gz PCTGEVFIESGASP-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CSCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000188714738 375258635 /nfs/dbraw/zinc/25/86/35/375258635.db2.gz MKFVHTYZVHMMSC-IAGOWNOFSA-N 2 1 290.476 3.266 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1(CCOC)CCCCC1 ZINC000189124443 375329451 /nfs/dbraw/zinc/32/94/51/375329451.db2.gz LGNIDYGTTFANIJ-INIZCTEOSA-N 2 1 284.488 3.293 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1(CCOC)CCCCC1 ZINC000189124443 375329461 /nfs/dbraw/zinc/32/94/61/375329461.db2.gz LGNIDYGTTFANIJ-INIZCTEOSA-N 2 1 284.488 3.293 20 0 CGADMP C[C@@H](C[NH2+]Cc1cnc(-c2cccs2)s1)C[NH+](C)C ZINC000491594426 375336624 /nfs/dbraw/zinc/33/66/24/375336624.db2.gz QEIQIPBURSJBSZ-NSHDSACASA-N 2 1 295.477 3.159 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc2ccccc2o1 ZINC000335694549 375352528 /nfs/dbraw/zinc/35/25/28/375352528.db2.gz AZCURDCPDPBUJK-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccccc2o1 ZINC000335694549 375352537 /nfs/dbraw/zinc/35/25/37/375352537.db2.gz AZCURDCPDPBUJK-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccccc2o1 ZINC000335694549 375352540 /nfs/dbraw/zinc/35/25/40/375352540.db2.gz AZCURDCPDPBUJK-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2ccccc2o1 ZINC000335694549 375352548 /nfs/dbraw/zinc/35/25/48/375352548.db2.gz AZCURDCPDPBUJK-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc2ccccc2o1 ZINC000335694548 375353161 /nfs/dbraw/zinc/35/31/61/375353161.db2.gz AZCURDCPDPBUJK-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccccc2o1 ZINC000335694548 375353164 /nfs/dbraw/zinc/35/31/64/375353164.db2.gz AZCURDCPDPBUJK-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccccc2o1 ZINC000335694548 375353168 /nfs/dbraw/zinc/35/31/68/375353168.db2.gz AZCURDCPDPBUJK-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2ccccc2o1 ZINC000335694548 375353174 /nfs/dbraw/zinc/35/31/74/375353174.db2.gz AZCURDCPDPBUJK-BBRMVZONSA-N 2 1 272.392 3.205 20 0 CGADMP FC1(F)CCCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000495015297 375495778 /nfs/dbraw/zinc/49/57/78/375495778.db2.gz FYFAPZJBPQKHNS-SOUVJXGZSA-N 2 1 286.410 3.418 20 0 CGADMP Fc1ccc(C2(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000335960525 375572083 /nfs/dbraw/zinc/57/20/83/375572083.db2.gz MKOVZPGIWUWYEG-HOTGVXAUSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000335960525 375572093 /nfs/dbraw/zinc/57/20/93/375572093.db2.gz MKOVZPGIWUWYEG-HOTGVXAUSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000335960525 375572098 /nfs/dbraw/zinc/57/20/98/375572098.db2.gz MKOVZPGIWUWYEG-HOTGVXAUSA-N 2 1 274.383 3.031 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000191682116 375651530 /nfs/dbraw/zinc/65/15/30/375651530.db2.gz HUVMGCMNNMSNAI-UHFFFAOYSA-N 2 1 281.403 3.315 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508527080 375748587 /nfs/dbraw/zinc/74/85/87/375748587.db2.gz GICUKYVQWSAIRM-XSVZSIDJSA-N 2 1 272.436 3.364 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000508527080 375748594 /nfs/dbraw/zinc/74/85/94/375748594.db2.gz GICUKYVQWSAIRM-XSVZSIDJSA-N 2 1 272.436 3.364 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508527080 375748600 /nfs/dbraw/zinc/74/86/00/375748600.db2.gz GICUKYVQWSAIRM-XSVZSIDJSA-N 2 1 272.436 3.364 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000192675609 375777774 /nfs/dbraw/zinc/77/77/74/375777774.db2.gz YKCJQIPPMSNWLS-CRAIPNDOSA-N 2 1 290.451 3.041 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)CC(C)C ZINC000515506712 375814499 /nfs/dbraw/zinc/81/44/99/375814499.db2.gz BVPHSXOAHAXUOM-QZWWFDLISA-N 2 1 296.499 3.146 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)cn1 ZINC000193125527 375830823 /nfs/dbraw/zinc/83/08/23/375830823.db2.gz DUTIHSZAVOIPCQ-CJNGLKHVSA-N 2 1 298.434 3.490 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000130728252 542066177 /nfs/dbraw/zinc/06/61/77/542066177.db2.gz NBCBGYAIQACJBZ-RISCZKNCSA-N 2 1 286.341 3.265 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000130728252 542066180 /nfs/dbraw/zinc/06/61/80/542066180.db2.gz NBCBGYAIQACJBZ-RISCZKNCSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H](Nc1cccc2cc[nH+]cc21)C1CC[NH+](C)CC1 ZINC000131438600 542070184 /nfs/dbraw/zinc/07/01/84/542070184.db2.gz OQBPXDDPESVMHL-CYBMUJFWSA-N 2 1 269.392 3.377 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000194194027 375970357 /nfs/dbraw/zinc/97/03/57/375970357.db2.gz YHEFCRSPGUSIAV-LSDHHAIUSA-N 2 1 271.408 3.221 20 0 CGADMP COc1cccc(C[N@H+](C)CCCCn2cc[nH+]c2C)c1 ZINC000336839096 376000826 /nfs/dbraw/zinc/00/08/26/376000826.db2.gz SCURVQODWJWWPD-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP COc1cccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)c1 ZINC000336839096 376000833 /nfs/dbraw/zinc/00/08/33/376000833.db2.gz SCURVQODWJWWPD-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP C[N@@H+](C[C@H]1CCC2(CCCCC2)O1)C[C@@H]1CCC[NH+](C)C1 ZINC000336845087 376007801 /nfs/dbraw/zinc/00/78/01/376007801.db2.gz PWMJSOXHBBUTAI-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C[C@H]1CCC2(CCCCC2)O1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336845087 376007805 /nfs/dbraw/zinc/00/78/05/376007805.db2.gz PWMJSOXHBBUTAI-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C[C@H]1CCC2(CCCCC2)O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336845087 376007811 /nfs/dbraw/zinc/00/78/11/376007811.db2.gz PWMJSOXHBBUTAI-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000537966096 376213322 /nfs/dbraw/zinc/21/33/22/376213322.db2.gz UJXILNGSNNSPFD-XJKCOSOUSA-N 2 1 292.492 3.445 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC12CCC2 ZINC000337414273 376220061 /nfs/dbraw/zinc/22/00/61/376220061.db2.gz YFGIGDWCHYIXNE-QKPAOTATSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC12CCC2 ZINC000337414273 376220065 /nfs/dbraw/zinc/22/00/65/376220065.db2.gz YFGIGDWCHYIXNE-QKPAOTATSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000538306868 376231493 /nfs/dbraw/zinc/23/14/93/376231493.db2.gz DIVHETKQODGJHJ-HNNXBMFYSA-N 2 1 254.462 3.475 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000538306869 376232097 /nfs/dbraw/zinc/23/20/97/376232097.db2.gz DIVHETKQODGJHJ-OAHLLOKOSA-N 2 1 254.462 3.475 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)cs1 ZINC000337950995 376248960 /nfs/dbraw/zinc/24/89/60/376248960.db2.gz UDZKKMYWNVSJDH-UHFFFAOYSA-N 2 1 269.801 3.086 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325970 376351359 /nfs/dbraw/zinc/35/13/59/376351359.db2.gz JXYJWVRPGMRXJU-RYUDHWBXSA-N 2 1 268.351 3.087 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000539791629 376331446 /nfs/dbraw/zinc/33/14/46/376331446.db2.gz VFOUOMDJCBZUCL-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000539791629 376331452 /nfs/dbraw/zinc/33/14/52/376331452.db2.gz VFOUOMDJCBZUCL-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000539791629 376331455 /nfs/dbraw/zinc/33/14/55/376331455.db2.gz VFOUOMDJCBZUCL-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCC(F)(F)C1 ZINC000338348236 376342457 /nfs/dbraw/zinc/34/24/57/376342457.db2.gz NIGAQCPNECVHKI-AWEZNQCLSA-N 2 1 274.399 3.230 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000539069501 376291113 /nfs/dbraw/zinc/29/11/13/376291113.db2.gz IHZRDAAZDNNSIM-BEFAXECRSA-N 2 1 282.431 3.312 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000224995942 376291655 /nfs/dbraw/zinc/29/16/55/376291655.db2.gz PFJLVLHINBCGGQ-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000224995942 376291663 /nfs/dbraw/zinc/29/16/63/376291663.db2.gz PFJLVLHINBCGGQ-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000226892237 376374642 /nfs/dbraw/zinc/37/46/42/376374642.db2.gz SUGKUONYNZMGNJ-BACDZXNISA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000226892237 376374646 /nfs/dbraw/zinc/37/46/46/376374646.db2.gz SUGKUONYNZMGNJ-BACDZXNISA-N 2 1 264.457 3.418 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000226918654 376375563 /nfs/dbraw/zinc/37/55/63/376375563.db2.gz LYSAKBWPPCRDND-WBVHZDCISA-N 2 1 260.425 3.315 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(C)s1 ZINC000227025772 376379344 /nfs/dbraw/zinc/37/93/44/376379344.db2.gz HCAIKWUZDBEDNT-SMDDNHRTSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(C)s1 ZINC000227025772 376379348 /nfs/dbraw/zinc/37/93/48/376379348.db2.gz HCAIKWUZDBEDNT-SMDDNHRTSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C2CCC2)o1 ZINC000541744026 376475361 /nfs/dbraw/zinc/47/53/61/376475361.db2.gz GATMSHLDPGRYDX-YOEHRIQHSA-N 2 1 276.424 3.361 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CCC2)o1 ZINC000541744026 376475370 /nfs/dbraw/zinc/47/53/70/376475370.db2.gz GATMSHLDPGRYDX-YOEHRIQHSA-N 2 1 276.424 3.361 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338790891 376537358 /nfs/dbraw/zinc/53/73/58/376537358.db2.gz JIHRFMLEDBNFBV-JCGIZDLHSA-N 2 1 270.420 3.030 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2ccsc2)C1 ZINC000543031590 376600058 /nfs/dbraw/zinc/60/00/58/376600058.db2.gz JLQFLVDEPDOFEH-QGZVFWFLSA-N 2 1 292.492 3.344 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000543031590 376600067 /nfs/dbraw/zinc/60/00/67/376600067.db2.gz JLQFLVDEPDOFEH-QGZVFWFLSA-N 2 1 292.492 3.344 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000543031590 376600074 /nfs/dbraw/zinc/60/00/74/376600074.db2.gz JLQFLVDEPDOFEH-QGZVFWFLSA-N 2 1 292.492 3.344 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000543091494 376605407 /nfs/dbraw/zinc/60/54/07/376605407.db2.gz LXOZJDRPCQBSBB-NVXWUHKLSA-N 2 1 292.492 3.487 20 0 CGADMP Cc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1Cl ZINC000234253092 376612235 /nfs/dbraw/zinc/61/22/35/376612235.db2.gz JUGPEZVGFMAXMH-UHFFFAOYSA-N 2 1 268.832 3.326 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000235231136 376637857 /nfs/dbraw/zinc/63/78/57/376637857.db2.gz FSDGKRUKJQJXBV-KBXIAJHMSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000235231136 376637872 /nfs/dbraw/zinc/63/78/72/376637872.db2.gz FSDGKRUKJQJXBV-KBXIAJHMSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C2CCCC2)CC[NH2+]1 ZINC000235411231 376639288 /nfs/dbraw/zinc/63/92/88/376639288.db2.gz LWIHMTYOMGQXNY-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP Clc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000147664919 542098015 /nfs/dbraw/zinc/09/80/15/542098015.db2.gz JSFBPMVPPOHFIV-UHFFFAOYSA-N 2 1 264.800 3.056 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245442604 376818075 /nfs/dbraw/zinc/81/80/75/376818075.db2.gz WLCXTFLEYIRAQJ-BLLLJJGKSA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245442604 376818087 /nfs/dbraw/zinc/81/80/87/376818087.db2.gz WLCXTFLEYIRAQJ-BLLLJJGKSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245442604 376818097 /nfs/dbraw/zinc/81/80/97/376818097.db2.gz WLCXTFLEYIRAQJ-BLLLJJGKSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245442604 376818106 /nfs/dbraw/zinc/81/81/06/376818106.db2.gz WLCXTFLEYIRAQJ-BLLLJJGKSA-N 2 1 282.378 3.127 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000545518358 376827779 /nfs/dbraw/zinc/82/77/79/376827779.db2.gz IVJSQIBKARHDQC-JKSUJKDBSA-N 2 1 260.425 3.438 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000245425019 376812718 /nfs/dbraw/zinc/81/27/18/376812718.db2.gz KJZFYMPRYZPMMZ-DOTOQJQBSA-N 2 1 260.425 3.157 20 0 CGADMP CC(C)C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(C)C ZINC000556600064 376864270 /nfs/dbraw/zinc/86/42/70/376864270.db2.gz DNHDTMAOALGGQL-MRXNPFEDSA-N 2 1 266.473 3.332 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000245625523 376869863 /nfs/dbraw/zinc/86/98/63/376869863.db2.gz OUNSJRZFVQBMJE-GXTWGEPZSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000245625523 376869873 /nfs/dbraw/zinc/86/98/73/376869873.db2.gz OUNSJRZFVQBMJE-GXTWGEPZSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)s1 ZINC000245625523 376869882 /nfs/dbraw/zinc/86/98/82/376869882.db2.gz OUNSJRZFVQBMJE-GXTWGEPZSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)s1 ZINC000245625523 376869890 /nfs/dbraw/zinc/86/98/90/376869890.db2.gz OUNSJRZFVQBMJE-GXTWGEPZSA-N 2 1 281.469 3.237 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(C)C ZINC000245624764 376871036 /nfs/dbraw/zinc/87/10/36/376871036.db2.gz PXRUGUOVEHZJQS-GVDBMIGSSA-N 2 1 294.483 3.043 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245722202 376888812 /nfs/dbraw/zinc/88/88/12/376888812.db2.gz UXAFATJBYVKXPS-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245722202 376888819 /nfs/dbraw/zinc/88/88/19/376888819.db2.gz UXAFATJBYVKXPS-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245722202 376888827 /nfs/dbraw/zinc/88/88/27/376888827.db2.gz UXAFATJBYVKXPS-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000556873265 376895026 /nfs/dbraw/zinc/89/50/26/376895026.db2.gz WWDFJMPFCZZRKB-HMDCTGQHSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245785899 376907021 /nfs/dbraw/zinc/90/70/21/376907021.db2.gz ZMDMIMWVKPYMCK-NNZMDNLPSA-N 2 1 272.436 3.428 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857646 376921359 /nfs/dbraw/zinc/92/13/59/376921359.db2.gz NVSGPPWYHJEQSM-JKSUJKDBSA-N 2 1 290.451 3.072 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000340200892 376947085 /nfs/dbraw/zinc/94/70/85/376947085.db2.gz FVCSHMNUDMSNSX-QGZVFWFLSA-N 2 1 292.467 3.068 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCCCCC3)CC[C@H]21 ZINC000246117052 376969480 /nfs/dbraw/zinc/96/94/80/376969480.db2.gz KCEISXRDGHJTGC-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@H]21 ZINC000246117052 376969485 /nfs/dbraw/zinc/96/94/85/376969485.db2.gz KCEISXRDGHJTGC-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@H]21 ZINC000246117052 376969488 /nfs/dbraw/zinc/96/94/88/376969488.db2.gz KCEISXRDGHJTGC-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP COc1cccc([C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246400238 377024262 /nfs/dbraw/zinc/02/42/62/377024262.db2.gz AGPNXRJLWIRGJM-HOTGVXAUSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246400238 377024269 /nfs/dbraw/zinc/02/42/69/377024269.db2.gz AGPNXRJLWIRGJM-HOTGVXAUSA-N 2 1 288.435 3.174 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000246544716 377048972 /nfs/dbraw/zinc/04/89/72/377048972.db2.gz WEXQDJGUCOXJCZ-HUUCEWRRSA-N 2 1 264.413 3.298 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000246544716 377048980 /nfs/dbraw/zinc/04/89/80/377048980.db2.gz WEXQDJGUCOXJCZ-HUUCEWRRSA-N 2 1 264.413 3.298 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC000340293382 376990318 /nfs/dbraw/zinc/99/03/18/376990318.db2.gz WTARXLWDBFXITI-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000340293382 376990332 /nfs/dbraw/zinc/99/03/32/376990332.db2.gz WTARXLWDBFXITI-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000340293382 376990337 /nfs/dbraw/zinc/99/03/37/376990337.db2.gz WTARXLWDBFXITI-UONOGXRCSA-N 2 1 274.399 3.086 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000246883274 377111678 /nfs/dbraw/zinc/11/16/78/377111678.db2.gz FCAIMNZAQGAHFD-WFASDCNBSA-N 2 1 294.439 3.294 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000246926475 377121958 /nfs/dbraw/zinc/12/19/58/377121958.db2.gz YRKVXXXGLHJBAD-UXHICEINSA-N 2 1 298.474 3.497 20 0 CGADMP Cc1ccc(C)c(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246580203 377054887 /nfs/dbraw/zinc/05/48/87/377054887.db2.gz FJIIOXPIKPIRSV-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246580203 377054899 /nfs/dbraw/zinc/05/48/99/377054899.db2.gz FJIIOXPIKPIRSV-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246580203 377054908 /nfs/dbraw/zinc/05/49/08/377054908.db2.gz FJIIOXPIKPIRSV-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1ccc(C)c(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246580203 377054918 /nfs/dbraw/zinc/05/49/18/377054918.db2.gz FJIIOXPIKPIRSV-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968187 377056065 /nfs/dbraw/zinc/05/60/65/377056065.db2.gz CUXLHXSXVRSZFZ-FZCLSBEQSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246607734 377060379 /nfs/dbraw/zinc/06/03/79/377060379.db2.gz HOXNHAYISLHCHL-IAGOWNOFSA-N 2 1 264.457 3.444 20 0 CGADMP CC(C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246614144 377061918 /nfs/dbraw/zinc/06/19/18/377061918.db2.gz SIZOWXQJWZXVOO-GXTWGEPZSA-N 2 1 252.427 3.129 20 0 CGADMP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246614144 377061925 /nfs/dbraw/zinc/06/19/25/377061925.db2.gz SIZOWXQJWZXVOO-GXTWGEPZSA-N 2 1 252.427 3.129 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000340453986 377068122 /nfs/dbraw/zinc/06/81/22/377068122.db2.gz SSSBPILBOPBSFK-ULQDDVLXSA-N 2 1 284.403 3.395 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246691873 377071266 /nfs/dbraw/zinc/07/12/66/377071266.db2.gz YVELIDDCKMSGIF-XJKSGUPXSA-N 2 1 278.465 3.228 20 0 CGADMP CC(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559722772 377096531 /nfs/dbraw/zinc/09/65/31/377096531.db2.gz YDAKWGMHLVVYSJ-IAGOWNOFSA-N 2 1 260.425 3.458 20 0 CGADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559722772 377096534 /nfs/dbraw/zinc/09/65/34/377096534.db2.gz YDAKWGMHLVVYSJ-IAGOWNOFSA-N 2 1 260.425 3.458 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000246819965 377096910 /nfs/dbraw/zinc/09/69/10/377096910.db2.gz BCTVFHQATLAVTD-IEBWSBKVSA-N 2 1 286.463 3.248 20 0 CGADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246820528 377097526 /nfs/dbraw/zinc/09/75/26/377097526.db2.gz AOMKSEAUDMVMCK-YYIAUSFCSA-N 2 1 290.451 3.081 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000559880699 377102882 /nfs/dbraw/zinc/10/28/82/377102882.db2.gz QFQPSCXFCFNDOS-UBDQQSCGSA-N 2 1 272.436 3.253 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)[C@@H](C)C1 ZINC000246955955 377127406 /nfs/dbraw/zinc/12/74/06/377127406.db2.gz HPKOHOORHOCNHI-QEJZJMRPSA-N 2 1 278.465 3.445 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246982416 377130783 /nfs/dbraw/zinc/13/07/83/377130783.db2.gz KCXKDCUPXHLDGW-XJKSGUPXSA-N 2 1 296.842 3.039 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000247019443 377139330 /nfs/dbraw/zinc/13/93/30/377139330.db2.gz MTMKKPAJVSBCBM-WCQYABFASA-N 2 1 286.872 3.264 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000247029941 377142739 /nfs/dbraw/zinc/14/27/39/377142739.db2.gz MEALFQPCYBOEHG-SUNYJGFJSA-N 2 1 299.418 3.399 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247042125 377144646 /nfs/dbraw/zinc/14/46/46/377144646.db2.gz MTZLTPHFDIYHNV-IIDMSEBBSA-N 2 1 290.451 3.294 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000560537856 377166123 /nfs/dbraw/zinc/16/61/23/377166123.db2.gz UJXULMPFBGBRLN-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1(CC)CC ZINC000247170446 377169487 /nfs/dbraw/zinc/16/94/87/377169487.db2.gz SMUUOFWNQHWKHP-FXUDXRNXSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1(CC)CC ZINC000247170446 377169489 /nfs/dbraw/zinc/16/94/89/377169489.db2.gz SMUUOFWNQHWKHP-FXUDXRNXSA-N 2 1 282.472 3.043 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000247160712 377169795 /nfs/dbraw/zinc/16/97/95/377169795.db2.gz UDOYNXCWBOAJDV-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP COC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000247375629 377198769 /nfs/dbraw/zinc/19/87/69/377198769.db2.gz DWVPNXLAINNPFB-JKSUJKDBSA-N 2 1 290.451 3.043 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000248038008 377261454 /nfs/dbraw/zinc/26/14/54/377261454.db2.gz SBUXWDPIUFTGNO-JKSUJKDBSA-N 2 1 292.471 3.379 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000248038008 377261457 /nfs/dbraw/zinc/26/14/57/377261457.db2.gz SBUXWDPIUFTGNO-JKSUJKDBSA-N 2 1 292.471 3.379 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1F ZINC000248198484 377279105 /nfs/dbraw/zinc/27/91/05/377279105.db2.gz XUYVKIBKAPBLOL-BBRMVZONSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1F ZINC000248198484 377279113 /nfs/dbraw/zinc/27/91/13/377279113.db2.gz XUYVKIBKAPBLOL-BBRMVZONSA-N 2 1 294.414 3.044 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c[nH]c21 ZINC000248201146 377280370 /nfs/dbraw/zinc/28/03/70/377280370.db2.gz YTAYCKQEHLQDHT-IIDMSEBBSA-N 2 1 299.462 3.337 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000248619366 377366227 /nfs/dbraw/zinc/36/62/27/377366227.db2.gz BUHCLAICOPXEIN-HGTKMLMNSA-N 2 1 263.429 3.242 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248757209 377396643 /nfs/dbraw/zinc/39/66/43/377396643.db2.gz CTEJOIATMMYQOM-NIOBXDJOSA-N 2 1 282.497 3.266 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000248861382 377414567 /nfs/dbraw/zinc/41/45/67/377414567.db2.gz MDBJXOAXSAVUEY-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120567 377465720 /nfs/dbraw/zinc/46/57/20/377465720.db2.gz TYEUSVXVDMQPCM-ULQDDVLXSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120567 377465730 /nfs/dbraw/zinc/46/57/30/377465730.db2.gz TYEUSVXVDMQPCM-ULQDDVLXSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120567 377465737 /nfs/dbraw/zinc/46/57/37/377465737.db2.gz TYEUSVXVDMQPCM-ULQDDVLXSA-N 2 1 264.457 3.252 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000341264129 377476049 /nfs/dbraw/zinc/47/60/49/377476049.db2.gz SSIXODPQRZSHMD-RHSMWYFYSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000341264129 377476055 /nfs/dbraw/zinc/47/60/55/377476055.db2.gz SSIXODPQRZSHMD-RHSMWYFYSA-N 2 1 258.409 3.039 20 0 CGADMP CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249258502 377483135 /nfs/dbraw/zinc/48/31/35/377483135.db2.gz GYCQMIXVMRDTKK-OFQRWUPVSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249258502 377483141 /nfs/dbraw/zinc/48/31/41/377483141.db2.gz GYCQMIXVMRDTKK-OFQRWUPVSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249258502 377483146 /nfs/dbraw/zinc/48/31/46/377483146.db2.gz GYCQMIXVMRDTKK-OFQRWUPVSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249258502 377483153 /nfs/dbraw/zinc/48/31/53/377483153.db2.gz GYCQMIXVMRDTKK-OFQRWUPVSA-N 2 1 250.430 3.124 20 0 CGADMP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000249364317 377495051 /nfs/dbraw/zinc/49/50/51/377495051.db2.gz OFDSGVYOBOSIGN-KGVXHEBISA-N 2 1 282.472 3.069 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000166764227 542175316 /nfs/dbraw/zinc/17/53/16/542175316.db2.gz AZWYLKKABWWSLJ-KZNAEPCWSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166678295 542176114 /nfs/dbraw/zinc/17/61/14/542176114.db2.gz HQLSGMHRVLPHNK-QZTJIDSGSA-N 2 1 272.436 3.062 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000312986246 249083343 /nfs/dbraw/zinc/08/33/43/249083343.db2.gz HIDCZYWRZFJDDT-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1C ZINC000313805049 249093517 /nfs/dbraw/zinc/09/35/17/249093517.db2.gz GXYGMXHKGQIEAF-RCCFBDPRSA-N 2 1 287.451 3.099 20 0 CGADMP FC(F)(F)c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000315297950 249099136 /nfs/dbraw/zinc/09/91/36/249099136.db2.gz XMSQHJMXXOQLDC-OKILXGFUSA-N 2 1 298.352 3.137 20 0 CGADMP c1ccc2cc(CC[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000428047080 249131335 /nfs/dbraw/zinc/13/13/35/249131335.db2.gz XGPCFXWAVKQMMR-RBUKOAKNSA-N 2 1 280.415 3.066 20 0 CGADMP Clc1ccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428029994 249131621 /nfs/dbraw/zinc/13/16/21/249131621.db2.gz BZKQHLOBDTVJCT-DOMZBBRYSA-N 2 1 296.867 3.116 20 0 CGADMP Clc1ccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428029994 249131625 /nfs/dbraw/zinc/13/16/25/249131625.db2.gz BZKQHLOBDTVJCT-DOMZBBRYSA-N 2 1 296.867 3.116 20 0 CGADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250895659 377569569 /nfs/dbraw/zinc/56/95/69/377569569.db2.gz YPFMIHBMJPUNSB-YYIAUSFCSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250895659 377569574 /nfs/dbraw/zinc/56/95/74/377569574.db2.gz YPFMIHBMJPUNSB-YYIAUSFCSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251007178 377570653 /nfs/dbraw/zinc/57/06/53/377570653.db2.gz SFVOGFLYWSTHQO-XYPHTWIQSA-N 2 1 292.854 3.487 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CC3)CC23CC3)cc1 ZINC000516062939 249224426 /nfs/dbraw/zinc/22/44/26/249224426.db2.gz LMXFQZNWFMWCPU-QGZVFWFLSA-N 2 1 270.420 3.183 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CC3)CC23CC3)cc1 ZINC000516062939 249224428 /nfs/dbraw/zinc/22/44/28/249224428.db2.gz LMXFQZNWFMWCPU-QGZVFWFLSA-N 2 1 270.420 3.183 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251187913 377576581 /nfs/dbraw/zinc/57/65/81/377576581.db2.gz YHHWHCDHNCEDAZ-YHUYYLMFSA-N 2 1 258.409 3.271 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2Cl)CC[N@H+]1C ZINC000518357780 249279094 /nfs/dbraw/zinc/27/90/94/249279094.db2.gz BZOXJEBJBQZVOO-OLZOCXBDSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCc2c(F)cccc2Cl)CC[N@H+]1C ZINC000518357778 249279130 /nfs/dbraw/zinc/27/91/30/249279130.db2.gz BZOXJEBJBQZVOO-CHWSQXEVSA-N 2 1 298.833 3.484 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000517446732 249265530 /nfs/dbraw/zinc/26/55/30/249265530.db2.gz PHGNBAHZLSWJOB-INIZCTEOSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251877377 377603776 /nfs/dbraw/zinc/60/37/76/377603776.db2.gz UMQKUURIJCMUKI-JTNHKYCSSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251877377 377603778 /nfs/dbraw/zinc/60/37/78/377603778.db2.gz UMQKUURIJCMUKI-JTNHKYCSSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000251931330 377604563 /nfs/dbraw/zinc/60/45/63/377604563.db2.gz YTHORQVSEZFYIM-DGCLKSJQSA-N 2 1 266.454 3.215 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252675161 377649781 /nfs/dbraw/zinc/64/97/81/377649781.db2.gz XOFNCYLHVWMAPA-MNOVXSKESA-N 2 1 270.829 3.118 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252675161 377649784 /nfs/dbraw/zinc/64/97/84/377649784.db2.gz XOFNCYLHVWMAPA-MNOVXSKESA-N 2 1 270.829 3.118 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252714890 377653736 /nfs/dbraw/zinc/65/37/36/377653736.db2.gz TZNQIYKWYSNHFS-HHARLNAUSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252714890 377653744 /nfs/dbraw/zinc/65/37/44/377653744.db2.gz TZNQIYKWYSNHFS-HHARLNAUSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000252710942 377653993 /nfs/dbraw/zinc/65/39/93/377653993.db2.gz IBXZSJPUGSLVFJ-BFYDXBDKSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000574649964 377691397 /nfs/dbraw/zinc/69/13/97/377691397.db2.gz JREUPECXFKIEIA-GFCCVEGCSA-N 2 1 293.361 3.324 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000574649964 377691399 /nfs/dbraw/zinc/69/13/99/377691399.db2.gz JREUPECXFKIEIA-GFCCVEGCSA-N 2 1 293.361 3.324 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1C ZINC000574678777 377694260 /nfs/dbraw/zinc/69/42/60/377694260.db2.gz XEZCVHNQBAOAEQ-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1C ZINC000574678777 377694271 /nfs/dbraw/zinc/69/42/71/377694271.db2.gz XEZCVHNQBAOAEQ-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1C ZINC000574678777 377694283 /nfs/dbraw/zinc/69/42/83/377694283.db2.gz XEZCVHNQBAOAEQ-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000253124073 377678144 /nfs/dbraw/zinc/67/81/44/377678144.db2.gz PDOMFWBIWYDDLJ-UTUOFQBUSA-N 2 1 266.351 3.180 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000253124073 377678154 /nfs/dbraw/zinc/67/81/54/377678154.db2.gz PDOMFWBIWYDDLJ-UTUOFQBUSA-N 2 1 266.351 3.180 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000254959527 377718845 /nfs/dbraw/zinc/71/88/45/377718845.db2.gz DKVAYCGGSZDOKW-YFWYWMRJSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000254959527 377718855 /nfs/dbraw/zinc/71/88/55/377718855.db2.gz DKVAYCGGSZDOKW-YFWYWMRJSA-N 2 1 272.436 3.364 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261573191 377820456 /nfs/dbraw/zinc/82/04/56/377820456.db2.gz VAOZEADIJPKRRH-RDJZCZTQSA-N 2 1 260.425 3.315 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261602990 377826266 /nfs/dbraw/zinc/82/62/66/377826266.db2.gz CBWMRKOOAOGUMI-WBMJQRKESA-N 2 1 296.361 3.034 20 0 CGADMP FC(F)(F)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CCC2 ZINC000261630877 377828873 /nfs/dbraw/zinc/82/88/73/377828873.db2.gz CMKGCAOCRZCWEZ-CHWSQXEVSA-N 2 1 290.373 3.041 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257645699 377797716 /nfs/dbraw/zinc/79/77/16/377797716.db2.gz CBEPCJIWLXHQHS-GOSISDBHSA-N 2 1 272.436 3.003 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000261884125 377863950 /nfs/dbraw/zinc/86/39/50/377863950.db2.gz RNKBPAKAVPCSIV-KBRIMQKVSA-N 2 1 276.399 3.208 20 0 CGADMP CCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000261976406 377872984 /nfs/dbraw/zinc/87/29/84/377872984.db2.gz ITDJPHTUPZPCRA-RBUKOAKNSA-N 2 1 286.463 3.256 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261714599 377845511 /nfs/dbraw/zinc/84/55/11/377845511.db2.gz FAWGBOBDWASKNQ-DLBZAZTESA-N 2 1 258.409 3.132 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000261720613 377845813 /nfs/dbraw/zinc/84/58/13/377845813.db2.gz JHGCEJSMFXHVGA-CQSZACIVSA-N 2 1 293.461 3.042 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000261720613 377845819 /nfs/dbraw/zinc/84/58/19/377845819.db2.gz JHGCEJSMFXHVGA-CQSZACIVSA-N 2 1 293.461 3.042 20 0 CGADMP CCC[N@H+](Cc1cc(-c2ccccc2)no1)C1CC[NH2+]CC1 ZINC000261741858 377846668 /nfs/dbraw/zinc/84/66/68/377846668.db2.gz SGTHQPRNUJCYBH-UHFFFAOYSA-N 2 1 299.418 3.306 20 0 CGADMP CCC[N@@H+](Cc1cc(-c2ccccc2)no1)C1CC[NH2+]CC1 ZINC000261741858 377846672 /nfs/dbraw/zinc/84/66/72/377846672.db2.gz SGTHQPRNUJCYBH-UHFFFAOYSA-N 2 1 299.418 3.306 20 0 CGADMP C[C@@]1(C[N@H+]2CCCC[C@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261751361 377849326 /nfs/dbraw/zinc/84/93/26/377849326.db2.gz JWEGKZWNGNXXPO-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261772882 377851253 /nfs/dbraw/zinc/85/12/53/377851253.db2.gz MYOUIWMJRHJXHZ-AWEZNQCLSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261772882 377851257 /nfs/dbraw/zinc/85/12/57/377851257.db2.gz MYOUIWMJRHJXHZ-AWEZNQCLSA-N 2 1 286.341 3.137 20 0 CGADMP CCCOc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000575935959 378001389 /nfs/dbraw/zinc/00/13/89/378001389.db2.gz WOXXOPSWDYOIPW-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000575935959 378001391 /nfs/dbraw/zinc/00/13/91/378001391.db2.gz WOXXOPSWDYOIPW-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000575935959 378001397 /nfs/dbraw/zinc/00/13/97/378001397.db2.gz WOXXOPSWDYOIPW-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)CCC[NH+]3CCCC3)ccc2n1 ZINC000343599948 378035057 /nfs/dbraw/zinc/03/50/57/378035057.db2.gz IITISVKELWTGBL-UHFFFAOYSA-N 2 1 297.446 3.461 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)CCC[NH+]3CCCC3)ccc2n1 ZINC000343599948 378035062 /nfs/dbraw/zinc/03/50/62/378035062.db2.gz IITISVKELWTGBL-UHFFFAOYSA-N 2 1 297.446 3.461 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccn2)cc1 ZINC000578082871 378036357 /nfs/dbraw/zinc/03/63/57/378036357.db2.gz BPYQTQQZKWOIFO-AOIWGVFYSA-N 2 1 295.430 3.339 20 0 CGADMP CCOc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343608726 378038054 /nfs/dbraw/zinc/03/80/54/378038054.db2.gz UYJXZVFWKOAROA-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP CCOc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343608726 378038060 /nfs/dbraw/zinc/03/80/60/378038060.db2.gz UYJXZVFWKOAROA-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268792001 378111751 /nfs/dbraw/zinc/11/17/51/378111751.db2.gz GKTMTZUBYMOAKI-ATLSCFEFSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268792001 378111757 /nfs/dbraw/zinc/11/17/57/378111757.db2.gz GKTMTZUBYMOAKI-ATLSCFEFSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000268834534 378127255 /nfs/dbraw/zinc/12/72/55/378127255.db2.gz TXRNPFQIAHVALU-CQSZACIVSA-N 2 1 273.405 3.018 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000268837578 378127378 /nfs/dbraw/zinc/12/73/78/378127378.db2.gz GYHYRLDZIIIAIJ-LBPRGKRZSA-N 2 1 263.410 3.302 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC000268849361 378130704 /nfs/dbraw/zinc/13/07/04/378130704.db2.gz PMAYDWQDAUHSEV-RHSMWYFYSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000268876049 378139914 /nfs/dbraw/zinc/13/99/14/378139914.db2.gz QOIQDKXNYUNLCP-CQSZACIVSA-N 2 1 283.419 3.421 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000268697227 378092776 /nfs/dbraw/zinc/09/27/76/378092776.db2.gz CTSLPHWMEOOZDF-UXLLHSPISA-N 2 1 260.425 3.110 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000344011552 378152106 /nfs/dbraw/zinc/15/21/06/378152106.db2.gz DSVMXJQVZRRLNH-HZPDHXFCSA-N 2 1 294.487 3.105 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000344011552 378152109 /nfs/dbraw/zinc/15/21/09/378152109.db2.gz DSVMXJQVZRRLNH-HZPDHXFCSA-N 2 1 294.487 3.105 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000578699573 378093512 /nfs/dbraw/zinc/09/35/12/378093512.db2.gz OQHSOYVTXOBJGW-ZDUSSCGKSA-N 2 1 289.398 3.127 20 0 CGADMP CC[N@@H+](CCOc1c(C)cccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345210222 378223962 /nfs/dbraw/zinc/22/39/62/378223962.db2.gz QZXHDPQPBLUSLD-KRWDZBQOSA-N 2 1 290.451 3.146 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268974970 378164979 /nfs/dbraw/zinc/16/49/79/378164979.db2.gz BHYHWZDEPMLBND-YQQAZPJKSA-N 2 1 292.492 3.238 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268974970 378164982 /nfs/dbraw/zinc/16/49/82/378164982.db2.gz BHYHWZDEPMLBND-YQQAZPJKSA-N 2 1 292.492 3.238 20 0 CGADMP CCC1(C)CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000344649359 378176417 /nfs/dbraw/zinc/17/64/17/378176417.db2.gz ZLDHYPMULICWKE-CIDNJEQPSA-N 2 1 252.446 3.418 20 0 CGADMP CCC1(C)CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000344649359 378176418 /nfs/dbraw/zinc/17/64/18/378176418.db2.gz ZLDHYPMULICWKE-CIDNJEQPSA-N 2 1 252.446 3.418 20 0 CGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3(C)CC3)C2)CC1 ZINC000579679728 378183038 /nfs/dbraw/zinc/18/30/38/378183038.db2.gz UPFREZTYKOVWDQ-INIZCTEOSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000184507895 542236285 /nfs/dbraw/zinc/23/62/85/542236285.db2.gz AIZKWHOEHOIDJK-CHWSQXEVSA-N 2 1 281.469 3.367 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(F)c1)C(C)C ZINC000270782694 378399010 /nfs/dbraw/zinc/39/90/10/378399010.db2.gz AMPBFZOONIYURM-UHFFFAOYSA-N 2 1 275.371 3.241 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000270782694 378399016 /nfs/dbraw/zinc/39/90/16/378399016.db2.gz AMPBFZOONIYURM-UHFFFAOYSA-N 2 1 275.371 3.241 20 0 CGADMP COc1ccccc1C[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000584418538 378383512 /nfs/dbraw/zinc/38/35/12/378383512.db2.gz DMRHPDQJPUMKPL-UHFFFAOYSA-N 2 1 299.418 3.026 20 0 CGADMP COc1ccccc1C[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000584418538 378383514 /nfs/dbraw/zinc/38/35/14/378383514.db2.gz DMRHPDQJPUMKPL-UHFFFAOYSA-N 2 1 299.418 3.026 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000271175555 378470821 /nfs/dbraw/zinc/47/08/21/378470821.db2.gz FTZFMBDZFKFALK-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3cc[nH]c32)CC[N@H+]1C ZINC000271175555 378470824 /nfs/dbraw/zinc/47/08/24/378470824.db2.gz FTZFMBDZFKFALK-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3cc[nH]c32)CC[NH+]1C ZINC000271175555 378470831 /nfs/dbraw/zinc/47/08/31/378470831.db2.gz FTZFMBDZFKFALK-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3cc[nH]c32)CC[NH+]1C ZINC000271175555 378470833 /nfs/dbraw/zinc/47/08/33/378470833.db2.gz FTZFMBDZFKFALK-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000271028185 378431742 /nfs/dbraw/zinc/43/17/42/378431742.db2.gz FPMBSBCMACUZBO-UHFFFAOYSA-N 2 1 285.435 3.473 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCCC[C@@H]1C ZINC000346172352 378489470 /nfs/dbraw/zinc/48/94/70/378489470.db2.gz OSENWFKPVLLAFI-AWEZNQCLSA-N 2 1 284.407 3.340 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000346170701 378489576 /nfs/dbraw/zinc/48/95/76/378489576.db2.gz JLBMPBSSBAVLPC-CQSZACIVSA-N 2 1 296.418 3.339 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000346170692 378489891 /nfs/dbraw/zinc/48/98/91/378489891.db2.gz JLBMPBSSBAVLPC-AWEZNQCLSA-N 2 1 296.418 3.339 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000271954354 378528104 /nfs/dbraw/zinc/52/81/04/378528104.db2.gz FDUWTSPLCJULKB-DVHLICQRSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC[N@H+]1C ZINC000271954354 378528109 /nfs/dbraw/zinc/52/81/09/378528109.db2.gz FDUWTSPLCJULKB-DVHLICQRSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@@H]([NH2+]Cc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272252858 378595628 /nfs/dbraw/zinc/59/56/28/378595628.db2.gz YORKZKRLCWIIMJ-VQIMIIECSA-N 2 1 295.430 3.082 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC2)cc1 ZINC000272532909 378659618 /nfs/dbraw/zinc/65/96/18/378659618.db2.gz JLMGOHQKHNLSDR-GFCCVEGCSA-N 2 1 255.365 3.384 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346648259 378660683 /nfs/dbraw/zinc/66/06/83/378660683.db2.gz PDEIPAINBYCVKU-WBVHZDCISA-N 2 1 290.451 3.281 20 0 CGADMP C[N@H+](Cc1cnc(-c2cccs2)s1)CC(C)(C)C[NH3+] ZINC000346669374 378670041 /nfs/dbraw/zinc/67/00/41/378670041.db2.gz GDPIYXGSNOXSSH-UHFFFAOYSA-N 2 1 295.477 3.288 20 0 CGADMP C[N@@H+](Cc1cnc(-c2cccs2)s1)CC(C)(C)C[NH3+] ZINC000346669374 378670046 /nfs/dbraw/zinc/67/00/46/378670046.db2.gz GDPIYXGSNOXSSH-UHFFFAOYSA-N 2 1 295.477 3.288 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3n2C)C1 ZINC000638127168 378710391 /nfs/dbraw/zinc/71/03/91/378710391.db2.gz GWJALQKBFRSADR-INIZCTEOSA-N 2 1 299.462 3.342 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3n2C)C1 ZINC000638127168 378710394 /nfs/dbraw/zinc/71/03/94/378710394.db2.gz GWJALQKBFRSADR-INIZCTEOSA-N 2 1 299.462 3.342 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC000638127168 378710399 /nfs/dbraw/zinc/71/03/99/378710399.db2.gz GWJALQKBFRSADR-INIZCTEOSA-N 2 1 299.462 3.342 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC000638127168 378710403 /nfs/dbraw/zinc/71/04/03/378710403.db2.gz GWJALQKBFRSADR-INIZCTEOSA-N 2 1 299.462 3.342 20 0 CGADMP CSC1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000347847690 378726734 /nfs/dbraw/zinc/72/67/34/378726734.db2.gz PIHUKCCSTYSRDK-CVEARBPZSA-N 2 1 296.524 3.468 20 0 CGADMP CSC1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000347847690 378726744 /nfs/dbraw/zinc/72/67/44/378726744.db2.gz PIHUKCCSTYSRDK-CVEARBPZSA-N 2 1 296.524 3.468 20 0 CGADMP CSC1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000347847690 378726750 /nfs/dbraw/zinc/72/67/50/378726750.db2.gz PIHUKCCSTYSRDK-CVEARBPZSA-N 2 1 296.524 3.468 20 0 CGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347872864 378728897 /nfs/dbraw/zinc/72/88/97/378728897.db2.gz DQNALSCBTBVFOZ-RKVPGOIHSA-N 2 1 285.435 3.150 20 0 CGADMP CSC1(C[NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000347923626 378729543 /nfs/dbraw/zinc/72/95/43/378729543.db2.gz OWNIQCCDJCVLLG-OAHLLOKOSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC1(F)F ZINC000638311520 378766019 /nfs/dbraw/zinc/76/60/19/378766019.db2.gz ZWHVADCGTWYLGT-HIFRSBDPSA-N 2 1 282.378 3.142 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC1(F)F ZINC000638365478 378778651 /nfs/dbraw/zinc/77/86/51/378778651.db2.gz DRVPOHXIXNVQIM-HZSPNIEDSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC1(F)F ZINC000638365480 378779195 /nfs/dbraw/zinc/77/91/95/378779195.db2.gz DRVPOHXIXNVQIM-MGPQQGTHSA-N 2 1 274.399 3.132 20 0 CGADMP CC[C@](C)(C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)OC ZINC000638365567 378779776 /nfs/dbraw/zinc/77/97/76/378779776.db2.gz INTNABXZXICALJ-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC1CCSCC1 ZINC000638366375 378781044 /nfs/dbraw/zinc/78/10/44/378781044.db2.gz NTRLFYGWNUBYEZ-HNNXBMFYSA-N 2 1 284.513 3.374 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000638462172 378811629 /nfs/dbraw/zinc/81/16/29/378811629.db2.gz JUYUAOKBZGKTLO-GOEBONIOSA-N 2 1 261.413 3.306 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000274403886 378826855 /nfs/dbraw/zinc/82/68/55/378826855.db2.gz YITPXFBKHCZWHX-CABCVRRESA-N 2 1 278.440 3.033 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000274403886 378826858 /nfs/dbraw/zinc/82/68/58/378826858.db2.gz YITPXFBKHCZWHX-CABCVRRESA-N 2 1 278.440 3.033 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348305082 378897837 /nfs/dbraw/zinc/89/78/37/378897837.db2.gz HYKWQTBUROLLHV-OCCSQVGLSA-N 2 1 281.469 3.215 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348305082 378897842 /nfs/dbraw/zinc/89/78/42/378897842.db2.gz HYKWQTBUROLLHV-OCCSQVGLSA-N 2 1 281.469 3.215 20 0 CGADMP CCC[N@@H+](Cc1coc2ccccc12)C1CC[NH2+]CC1 ZINC000346995711 218084135 /nfs/dbraw/zinc/08/41/35/218084135.db2.gz CJADPEWSKATRSA-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000347016834 218092388 /nfs/dbraw/zinc/09/23/88/218092388.db2.gz ZFLGLNOCRXUWFX-IIAWOOMASA-N 2 1 276.399 3.003 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1[NH3+] ZINC000347037767 218100400 /nfs/dbraw/zinc/10/04/00/218100400.db2.gz HSXSVHWPBBTGSM-KBXCAEBGSA-N 2 1 288.435 3.177 20 0 CGADMP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638971049 378961113 /nfs/dbraw/zinc/96/11/13/378961113.db2.gz PIIGAQYTXXFWGA-DFGXFYAUSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)CCCC2 ZINC000276611398 378966386 /nfs/dbraw/zinc/96/63/86/378966386.db2.gz GUHKYJZORCDQMT-CQSZACIVSA-N 2 1 283.419 3.192 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347112662 218125768 /nfs/dbraw/zinc/12/57/68/218125768.db2.gz RJPMFMRBSGYHJY-GWOLBSOFSA-N 2 1 274.383 3.054 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000277301026 379125329 /nfs/dbraw/zinc/12/53/29/379125329.db2.gz UFBLCKJBXZFFRC-RDJZCZTQSA-N 2 1 276.399 3.229 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000277301026 379125337 /nfs/dbraw/zinc/12/53/37/379125337.db2.gz UFBLCKJBXZFFRC-RDJZCZTQSA-N 2 1 276.399 3.229 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277350461 379138447 /nfs/dbraw/zinc/13/84/47/379138447.db2.gz WRIJPZAJUJRPDM-NVXWUHKLSA-N 2 1 260.425 3.472 20 0 CGADMP C[N@@H+](CCCC[NH2+]CC(C)(C)Oc1ccccc1)C1CC1 ZINC000639246676 379189768 /nfs/dbraw/zinc/18/97/68/379189768.db2.gz JBNHHKRQWHHMBW-UHFFFAOYSA-N 2 1 290.451 3.308 20 0 CGADMP C[N@@H+]1CCCC12CCN(c1cc[nH+]c3cc(F)ccc31)CC2 ZINC000372602809 379197116 /nfs/dbraw/zinc/19/71/16/379197116.db2.gz XSEYMYCRVMIIRG-UHFFFAOYSA-N 2 1 299.393 3.439 20 0 CGADMP C[N@H+]1CCCC12CCN(c1cc[nH+]c3cc(F)ccc31)CC2 ZINC000372602809 379197124 /nfs/dbraw/zinc/19/71/24/379197124.db2.gz XSEYMYCRVMIIRG-UHFFFAOYSA-N 2 1 299.393 3.439 20 0 CGADMP Fc1ccc([C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000278901558 194204388 /nfs/dbraw/zinc/20/43/88/194204388.db2.gz FVKSOZAHHMGKLB-FZKQIMNGSA-N 2 1 299.393 3.326 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC(C)C)c1 ZINC000349403482 379266856 /nfs/dbraw/zinc/26/68/56/379266856.db2.gz BTGVAUKNJHVAFW-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(C)C)c1 ZINC000349403482 379266866 /nfs/dbraw/zinc/26/68/66/379266866.db2.gz BTGVAUKNJHVAFW-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP Cc1ccc(F)cc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000373427014 379277889 /nfs/dbraw/zinc/27/78/89/379277889.db2.gz PJSNNJNLRODWDL-UHFFFAOYSA-N 2 1 276.399 3.194 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000639378963 379337810 /nfs/dbraw/zinc/33/78/10/379337810.db2.gz JYJATPNBNNKXSE-UHFFFAOYSA-N 2 1 290.451 3.315 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(F)cc(F)c1 ZINC000278951244 194226319 /nfs/dbraw/zinc/22/63/19/194226319.db2.gz LLMHUWCXQCRGKU-VXGBXAGGSA-N 2 1 291.345 3.075 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC000374073656 379372300 /nfs/dbraw/zinc/37/23/00/379372300.db2.gz BXUXKFHJMBADKW-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC000374073656 379372308 /nfs/dbraw/zinc/37/23/08/379372308.db2.gz BXUXKFHJMBADKW-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278941474 194221668 /nfs/dbraw/zinc/22/16/68/194221668.db2.gz KIPHTQLMHVOBQK-GJZGRUSLSA-N 2 1 299.418 3.195 20 0 CGADMP Cc1nc(F)ccc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000278433578 379384080 /nfs/dbraw/zinc/38/40/80/379384080.db2.gz SHUFZVOGCGJVQM-CQSZACIVSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000639490094 379427397 /nfs/dbraw/zinc/42/73/97/379427397.db2.gz VTCYALFYHOQGFO-HNNXBMFYSA-N 2 1 299.418 3.034 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000639490094 379427404 /nfs/dbraw/zinc/42/74/04/379427404.db2.gz VTCYALFYHOQGFO-HNNXBMFYSA-N 2 1 299.418 3.034 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(C)n1 ZINC000639596084 379499747 /nfs/dbraw/zinc/49/97/47/379499747.db2.gz RQXXOBWGKREMNN-KRWDZBQOSA-N 2 1 288.435 3.398 20 0 CGADMP c1cc(N2CCC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc[nH+]1 ZINC000639684567 379545509 /nfs/dbraw/zinc/54/55/09/379545509.db2.gz WPETYMLNFIFDEQ-ZACQAIPSSA-N 2 1 285.435 3.030 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c(C)n1 ZINC000639698605 379554251 /nfs/dbraw/zinc/55/42/51/379554251.db2.gz NFOXWSQOXPKLNV-AWEZNQCLSA-N 2 1 274.408 3.150 20 0 CGADMP Cc1cc(C)c(CN2C[C@H](C)OC3(CCC3)C2)c(C)n1 ZINC000639698605 379554259 /nfs/dbraw/zinc/55/42/59/379554259.db2.gz NFOXWSQOXPKLNV-AWEZNQCLSA-N 2 1 274.408 3.150 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000639755116 379570562 /nfs/dbraw/zinc/57/05/62/379570562.db2.gz GATKAECOMNANQA-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC000639757385 379571737 /nfs/dbraw/zinc/57/17/37/379571737.db2.gz KJOUNAKQGRTQEQ-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759034 379572853 /nfs/dbraw/zinc/57/28/53/379572853.db2.gz ZYOXWISHXCGFRD-CQSZACIVSA-N 2 1 276.399 3.304 20 0 CGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000377266438 379657014 /nfs/dbraw/zinc/65/70/14/379657014.db2.gz KDGDMHWLWBXRKK-QGZVFWFLSA-N 2 1 283.419 3.232 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000267208554 190312064 /nfs/dbraw/zinc/31/20/64/190312064.db2.gz BFUDLRNPCVTBCJ-LPHOPBHVSA-N 2 1 297.446 3.025 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C(C)C)cc1 ZINC000377803581 379743496 /nfs/dbraw/zinc/74/34/96/379743496.db2.gz YBLHGBKJAGFUPL-KBXCAEBGSA-N 2 1 299.418 3.263 20 0 CGADMP C[N@H+](Cc1cc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377626729 379709215 /nfs/dbraw/zinc/70/92/15/379709215.db2.gz OBPPZBXBCXIOEN-SJPCQFCGSA-N 2 1 283.419 3.225 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377626729 379709222 /nfs/dbraw/zinc/70/92/22/379709222.db2.gz OBPPZBXBCXIOEN-SJPCQFCGSA-N 2 1 283.419 3.225 20 0 CGADMP C[NH+](Cc1cc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377626729 379709230 /nfs/dbraw/zinc/70/92/30/379709230.db2.gz OBPPZBXBCXIOEN-SJPCQFCGSA-N 2 1 283.419 3.225 20 0 CGADMP C[NH+](Cc1cc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377626729 379709234 /nfs/dbraw/zinc/70/92/34/379709234.db2.gz OBPPZBXBCXIOEN-SJPCQFCGSA-N 2 1 283.419 3.225 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccccc2)CC1 ZINC000378183222 379788008 /nfs/dbraw/zinc/78/80/08/379788008.db2.gz KORWNEHMTKNUFI-UHFFFAOYSA-N 2 1 283.419 3.461 20 0 CGADMP Cc1nc(C)c(C[N@@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000352503418 379837454 /nfs/dbraw/zinc/83/74/54/379837454.db2.gz GAZXQUZMRJITCL-UHFFFAOYSA-N 2 1 281.469 3.101 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352721217 379923042 /nfs/dbraw/zinc/92/30/42/379923042.db2.gz QPGPTNRJULTFNW-QQFBHYJXSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000388461224 379887519 /nfs/dbraw/zinc/88/75/19/379887519.db2.gz BCSRYLBKXNYHLV-BBWFWOEESA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000388461224 379887525 /nfs/dbraw/zinc/88/75/25/379887525.db2.gz BCSRYLBKXNYHLV-BBWFWOEESA-N 2 1 264.457 3.418 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1sccc1Cl ZINC000282599452 379952486 /nfs/dbraw/zinc/95/24/86/379952486.db2.gz ABKDWTAUNPZNQM-UHFFFAOYSA-N 2 1 283.828 3.429 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1sccc1Cl ZINC000282599452 379952490 /nfs/dbraw/zinc/95/24/90/379952490.db2.gz ABKDWTAUNPZNQM-UHFFFAOYSA-N 2 1 283.828 3.429 20 0 CGADMP CSc1ccc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000352822268 379982644 /nfs/dbraw/zinc/98/26/44/379982644.db2.gz JIJQIUFRYWJUNP-UHFFFAOYSA-N 2 1 270.467 3.046 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000352860235 380009917 /nfs/dbraw/zinc/00/99/17/380009917.db2.gz AALOLYDHQOESJY-CGTJXYLNSA-N 2 1 294.483 3.069 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000409445276 380030701 /nfs/dbraw/zinc/03/07/01/380030701.db2.gz QTZAIIJULALWKJ-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP CCC(CC)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000409445276 380030708 /nfs/dbraw/zinc/03/07/08/380030708.db2.gz QTZAIIJULALWKJ-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP CCC(CC)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000409445276 380030717 /nfs/dbraw/zinc/03/07/17/380030717.db2.gz QTZAIIJULALWKJ-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1CCC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000353157286 380145062 /nfs/dbraw/zinc/14/50/62/380145062.db2.gz VAJYFJDJKMJGCD-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000353157286 380145065 /nfs/dbraw/zinc/14/50/65/380145065.db2.gz VAJYFJDJKMJGCD-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000353157286 380145070 /nfs/dbraw/zinc/14/50/70/380145070.db2.gz VAJYFJDJKMJGCD-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000353119583 380123430 /nfs/dbraw/zinc/12/34/30/380123430.db2.gz ODZNEXIFMHSMFJ-OAHLLOKOSA-N 2 1 271.408 3.132 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000353119583 380123438 /nfs/dbraw/zinc/12/34/38/380123438.db2.gz ODZNEXIFMHSMFJ-OAHLLOKOSA-N 2 1 271.408 3.132 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C)c1 ZINC000286347577 380200014 /nfs/dbraw/zinc/20/00/14/380200014.db2.gz ZDDSVWSOMLETMU-KRWDZBQOSA-N 2 1 258.409 3.298 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353953590 380252674 /nfs/dbraw/zinc/25/26/74/380252674.db2.gz GHLCHKNANUOYKJ-VXGBXAGGSA-N 2 1 278.362 3.039 20 0 CGADMP Clc1ccc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643032950 380207267 /nfs/dbraw/zinc/20/72/67/380207267.db2.gz JODZKSXZEBCRIZ-ABAIWWIYSA-N 2 1 287.794 3.076 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000353462807 380208548 /nfs/dbraw/zinc/20/85/48/380208548.db2.gz PIAHMSWPJKOFRC-UAGQMJEPSA-N 2 1 276.399 3.097 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414338093 380214516 /nfs/dbraw/zinc/21/45/16/380214516.db2.gz QYKUFVRVGQYISZ-LJIZCISZSA-N 2 1 296.499 3.287 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000353925039 380237692 /nfs/dbraw/zinc/23/76/92/380237692.db2.gz CLBPLUDCTQBLEI-IXDOHACOSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000414671532 380363627 /nfs/dbraw/zinc/36/36/27/380363627.db2.gz NXJSNXDVOCTRAX-NLNMYJFZSA-N 2 1 284.447 3.166 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682089 380371002 /nfs/dbraw/zinc/37/10/02/380371002.db2.gz XQWGSKULYIYFBI-GDBMZVCRSA-N 2 1 278.415 3.426 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccs2)CC[NH2+]1 ZINC000414681730 380371141 /nfs/dbraw/zinc/37/11/41/380371141.db2.gz PUTZNSIKDYZQJY-HZSPNIEDSA-N 2 1 264.438 3.273 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2CC(C)(C)C)CC[NH2+]1 ZINC000414687369 380374729 /nfs/dbraw/zinc/37/47/29/380374729.db2.gz HCHNFUKTFJMSTJ-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414693965 380376347 /nfs/dbraw/zinc/37/63/47/380376347.db2.gz SIQZKZYEEIURPG-IRXDYDNUSA-N 2 1 290.451 3.076 20 0 CGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414693965 380376351 /nfs/dbraw/zinc/37/63/51/380376351.db2.gz SIQZKZYEEIURPG-IRXDYDNUSA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414695762 380378187 /nfs/dbraw/zinc/37/81/87/380378187.db2.gz OVMDFMZGQMUFEW-IJEWVQPXSA-N 2 1 276.399 3.003 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCSC3(CCCCC3)C2)CC[NH2+]1 ZINC000414699299 380380164 /nfs/dbraw/zinc/38/01/64/380380164.db2.gz FBKRGROYUVMCGS-LSDHHAIUSA-N 2 1 282.497 3.126 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)CC[NH2+]1 ZINC000414700335 380380339 /nfs/dbraw/zinc/38/03/39/380380339.db2.gz JNMAKDSKZJQZKU-HFTRVMKXSA-N 2 1 290.426 3.221 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000643525914 380341258 /nfs/dbraw/zinc/34/12/58/380341258.db2.gz IGHJWYHQOVYGTJ-QPUJVOFHSA-N 2 1 261.196 3.381 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000643528954 380346687 /nfs/dbraw/zinc/34/66/87/380346687.db2.gz RSKCXTWQBZNSQH-FZMZJTMJSA-N 2 1 254.805 3.364 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643547202 380360948 /nfs/dbraw/zinc/36/09/48/380360948.db2.gz AZVZHRLVSQMFOD-DOTOQJQBSA-N 2 1 287.451 3.433 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@H](C)CCc1ccccc1 ZINC000414818962 380429378 /nfs/dbraw/zinc/42/93/78/380429378.db2.gz XICUMMNECYCKSX-WBVHZDCISA-N 2 1 262.441 3.362 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000414856970 380457211 /nfs/dbraw/zinc/45/72/11/380457211.db2.gz ZVDXLODKIIRTDY-AWEZNQCLSA-N 2 1 252.427 3.054 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000414818572 380429893 /nfs/dbraw/zinc/42/98/93/380429893.db2.gz WCXMCFHSQXDQFZ-GDBMZVCRSA-N 2 1 278.440 3.123 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000414851045 380454180 /nfs/dbraw/zinc/45/41/80/380454180.db2.gz OIQSOXBQRSZKCM-DOTOQJQBSA-N 2 1 262.441 3.279 20 0 CGADMP FC(F)(F)c1cc(Cl)cc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414780510 380400600 /nfs/dbraw/zinc/40/06/00/380400600.db2.gz LMAGLZSXCHYASF-UHFFFAOYSA-N 2 1 292.732 3.200 20 0 CGADMP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780846 380400821 /nfs/dbraw/zinc/40/08/21/380400821.db2.gz MBGKBPKTWJNYAF-CHWSQXEVSA-N 2 1 296.817 3.301 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414780981 380401549 /nfs/dbraw/zinc/40/15/49/380401549.db2.gz MFWSIVOZCGSWDN-HZPDHXFCSA-N 2 1 294.389 3.446 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000414785247 380402862 /nfs/dbraw/zinc/40/28/62/380402862.db2.gz SFLTYNUMBOISFM-DJIMGWMZSA-N 2 1 290.426 3.251 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])co2)cc1 ZINC000414796315 380410474 /nfs/dbraw/zinc/41/04/74/380410474.db2.gz HMOAFWCNBSGVDO-DOTOQJQBSA-N 2 1 299.418 3.257 20 0 CGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414801516 380414441 /nfs/dbraw/zinc/41/44/41/380414441.db2.gz UFYNDYPFOSNRKN-ZFWWWQNUSA-N 2 1 287.432 3.027 20 0 CGADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414801515 380414666 /nfs/dbraw/zinc/41/46/66/380414666.db2.gz UFYNDYPFOSNRKN-UKRRQHHQSA-N 2 1 287.432 3.027 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414804279 380416569 /nfs/dbraw/zinc/41/65/69/380416569.db2.gz XDJHGNBFYWBQEV-QGZVFWFLSA-N 2 1 276.424 3.081 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCCc1c(Cl)cccc1Cl)C1CC1 ZINC000414804104 380416745 /nfs/dbraw/zinc/41/67/45/380416745.db2.gz KPAICWFKXPSZDA-CQSZACIVSA-N 2 1 287.234 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000414805784 380418179 /nfs/dbraw/zinc/41/81/79/380418179.db2.gz AUTVZODYSFYCRY-WBVHZDCISA-N 2 1 262.441 3.423 20 0 CGADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414807262 380419733 /nfs/dbraw/zinc/41/97/33/380419733.db2.gz NUHRJQHPBSVMOX-YMTOWFKASA-N 2 1 287.234 3.251 20 0 CGADMP c1ccc(OC2CCCC2)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414912984 380487832 /nfs/dbraw/zinc/48/78/32/380487832.db2.gz ZFIRXKRJJGEFTM-MRXNPFEDSA-N 2 1 288.435 3.240 20 0 CGADMP C[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CCC[NH2+]C1 ZINC000414919803 380489395 /nfs/dbraw/zinc/48/93/95/380489395.db2.gz XTXGYTFABOVWPO-LBPRGKRZSA-N 2 1 292.370 3.246 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414940489 380498706 /nfs/dbraw/zinc/49/87/06/380498706.db2.gz BOQDEGGQPILPNT-ZFWWWQNUSA-N 2 1 284.403 3.079 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415008029 380505759 /nfs/dbraw/zinc/50/57/59/380505759.db2.gz VMVAYIRWRYJQDP-MELADBBJSA-N 2 1 276.415 3.282 20 0 CGADMP CC(C)C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414861458 380461935 /nfs/dbraw/zinc/46/19/35/380461935.db2.gz FPKXAAGCBAIFEO-DLBZAZTESA-N 2 1 260.425 3.158 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875302 380470311 /nfs/dbraw/zinc/47/03/11/380470311.db2.gz JDFGPCWWJZONET-QGZVFWFLSA-N 2 1 297.446 3.172 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000354525444 380470884 /nfs/dbraw/zinc/47/08/84/380470884.db2.gz JODBNIIOKKITRZ-INIZCTEOSA-N 2 1 258.409 3.445 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CC[NH2+]C1 ZINC000414882491 380474015 /nfs/dbraw/zinc/47/40/15/380474015.db2.gz MPLPTUUREAEZJQ-OLZOCXBDSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414893598 380477252 /nfs/dbraw/zinc/47/72/52/380477252.db2.gz YHSLVAFZMOTXSA-QMMMGPOBSA-N 2 1 280.721 3.186 20 0 CGADMP C[C@H](CC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414893596 380477434 /nfs/dbraw/zinc/47/74/34/380477434.db2.gz YHSLVAFZMOTXSA-MRVPVSSYSA-N 2 1 280.721 3.186 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414896986 380478719 /nfs/dbraw/zinc/47/87/19/380478719.db2.gz QLALFWVZWPXTMA-IBGZPJMESA-N 2 1 296.414 3.093 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417301928 380587466 /nfs/dbraw/zinc/58/74/66/380587466.db2.gz AWEQRHSCZVBIHM-CBBWQLFWSA-N 2 1 278.465 3.172 20 0 CGADMP CC[N@@H+](CCC1CC1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000355508948 380693880 /nfs/dbraw/zinc/69/38/80/380693880.db2.gz KLJKGFDVNYNHCT-UHFFFAOYSA-N 2 1 284.407 3.198 20 0 CGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2ccccc21 ZINC000355713467 380756582 /nfs/dbraw/zinc/75/65/82/380756582.db2.gz FYZZJFHLDRTTFI-CQSZACIVSA-N 2 1 269.392 3.013 20 0 CGADMP C[C@H]([NH2+]CCOCC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000419253273 380789114 /nfs/dbraw/zinc/78/91/14/380789114.db2.gz WNQFAIXLLHLJGK-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CCC[C@@H]1CCNC1(c2ccccc2Cl)CC1 ZINC000645978238 380789137 /nfs/dbraw/zinc/78/91/37/380789137.db2.gz ZBMWHXZQLACKIW-CYBMUJFWSA-N 2 1 278.827 3.403 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccccc2F)CCC1 ZINC000646025719 380804229 /nfs/dbraw/zinc/80/42/29/380804229.db2.gz XJYYNIDAHRWRLG-UHFFFAOYSA-N 2 1 287.382 3.390 20 0 CGADMP C1C([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC12CCCCC2 ZINC000421334102 380879985 /nfs/dbraw/zinc/87/99/85/380879985.db2.gz PILYYDTVOYTYBI-HOCLYGCPSA-N 2 1 262.441 3.316 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000359093419 381337497 /nfs/dbraw/zinc/33/74/97/381337497.db2.gz TXBAZFJCYXOFOJ-ZACQAIPSSA-N 2 1 282.472 3.044 20 0 CGADMP CC1CCC([N@@H+](C)CCC[NH+]2CCCCC2)CC1 ZINC000361274551 381670834 /nfs/dbraw/zinc/67/08/34/381670834.db2.gz SBYMLPINANOQSM-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000361464973 381755923 /nfs/dbraw/zinc/75/59/23/381755923.db2.gz CLCLSONJBDIUBK-HNNXBMFYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000361464973 381755931 /nfs/dbraw/zinc/75/59/31/381755931.db2.gz CLCLSONJBDIUBK-HNNXBMFYSA-N 2 1 263.429 3.482 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000228553704 542298838 /nfs/dbraw/zinc/29/88/38/542298838.db2.gz NKZSTHQYELHOGP-KBXCAEBGSA-N 2 1 270.420 3.097 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)CC(C)C ZINC000368521504 382374683 /nfs/dbraw/zinc/37/46/83/382374683.db2.gz GFXMZABQMDJERJ-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+](C)C ZINC000370062856 382414865 /nfs/dbraw/zinc/41/48/65/382414865.db2.gz MSRDZUQSNKDJDQ-LXPRWKDFSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251678103 542347649 /nfs/dbraw/zinc/34/76/49/542347649.db2.gz HUDASKQCYAZXIL-LALPHHSUSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251678103 542347651 /nfs/dbraw/zinc/34/76/51/542347651.db2.gz HUDASKQCYAZXIL-LALPHHSUSA-N 2 1 266.816 3.460 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252418033 542350051 /nfs/dbraw/zinc/35/00/51/542350051.db2.gz URQIABYXTKLWAP-QILLFSRXSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000335034148 207511334 /nfs/dbraw/zinc/51/13/34/207511334.db2.gz JIPFRZMCTBOPHH-NOZJJQNGSA-N 2 1 282.840 3.074 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423432379 532974671 /nfs/dbraw/zinc/97/46/71/532974671.db2.gz BIJIBWPBZUSYOE-HLTSFMKQSA-N 2 1 261.196 3.380 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474606991 285012701 /nfs/dbraw/zinc/01/27/01/285012701.db2.gz NKYXXLRLJIJUTH-FUHWJXTLSA-N 2 1 296.499 3.292 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423269242 533060935 /nfs/dbraw/zinc/06/09/35/533060935.db2.gz VSKZRRRPHOAKHT-STQMWFEESA-N 2 1 266.454 3.433 20 0 CGADMP CC[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420317772 285112393 /nfs/dbraw/zinc/11/23/93/285112393.db2.gz NYKKTMVIOFPMNL-GOSISDBHSA-N 2 1 298.430 3.260 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(F)c2)C[C@H]1C ZINC000353748264 220301337 /nfs/dbraw/zinc/30/13/37/220301337.db2.gz HDYFZUGDUMIWCA-ZBFHGGJFSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(F)c2)C[C@H]1C ZINC000353748264 220301342 /nfs/dbraw/zinc/30/13/42/220301342.db2.gz HDYFZUGDUMIWCA-ZBFHGGJFSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)C[C@H]1C ZINC000353748264 220301346 /nfs/dbraw/zinc/30/13/46/220301346.db2.gz HDYFZUGDUMIWCA-ZBFHGGJFSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C[C@H]1C ZINC000353748264 220301350 /nfs/dbraw/zinc/30/13/50/220301350.db2.gz HDYFZUGDUMIWCA-ZBFHGGJFSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765995 220313961 /nfs/dbraw/zinc/31/39/61/220313961.db2.gz FVRBILNOYBJMCW-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765995 220313966 /nfs/dbraw/zinc/31/39/66/220313966.db2.gz FVRBILNOYBJMCW-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765995 220313969 /nfs/dbraw/zinc/31/39/69/220313969.db2.gz FVRBILNOYBJMCW-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765995 220313973 /nfs/dbraw/zinc/31/39/73/220313973.db2.gz FVRBILNOYBJMCW-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000159276500 285192366 /nfs/dbraw/zinc/19/23/66/285192366.db2.gz AZHHVZADUOEVIY-KRWDZBQOSA-N 2 1 288.435 3.283 20 0 CGADMP c1ccc(Oc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000316554210 542437006 /nfs/dbraw/zinc/43/70/06/542437006.db2.gz DTUBLDYQGPKEMH-IAGOWNOFSA-N 2 1 294.398 3.130 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc3cc(OC)ccc3c2)CC[C@@H]1[NH3+] ZINC000317641529 542438221 /nfs/dbraw/zinc/43/82/21/542438221.db2.gz YJGGEIAUITYFEP-KXBFYZLASA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423264636 533248167 /nfs/dbraw/zinc/24/81/67/533248167.db2.gz PZPPODJSYWOIHZ-PBHICJAKSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(C(F)(F)F)c1 ZINC000423327321 533360983 /nfs/dbraw/zinc/36/09/83/533360983.db2.gz MVQPPIYZSJXOFU-SNVBAGLBSA-N 2 1 272.314 3.237 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1C[C@H]1C ZINC000414086323 533377405 /nfs/dbraw/zinc/37/74/05/533377405.db2.gz ZGZBVBQIAFNRHV-ZHCJQAHYSA-N 2 1 266.473 3.379 20 0 CGADMP CO[C@@H](C)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411718369 533331197 /nfs/dbraw/zinc/33/11/97/533331197.db2.gz CBOFOGPGMXDHTI-INIZCTEOSA-N 2 1 290.451 3.139 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423352974 533402804 /nfs/dbraw/zinc/40/28/04/533402804.db2.gz AUQSXJVPHQNKIY-VXGBXAGGSA-N 2 1 284.350 3.081 20 0 CGADMP C[C@@H]([NH2+]CCn1ccc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000423100759 533407241 /nfs/dbraw/zinc/40/72/41/533407241.db2.gz HJSDLHLGGMVUGD-IUODEOHRSA-N 2 1 291.826 3.025 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)c2ccccc21 ZINC000423273790 533512033 /nfs/dbraw/zinc/51/20/33/533512033.db2.gz JJVWNKZRCXPLRO-DIFFPNOSSA-N 2 1 272.367 3.367 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 ZINC000381010650 542596243 /nfs/dbraw/zinc/59/62/43/542596243.db2.gz RLFFNVIBEIQBJH-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc3ccccc13)C2 ZINC000380652197 542595688 /nfs/dbraw/zinc/59/56/88/542595688.db2.gz QNRZIFLVMTYVLZ-YOEHRIQHSA-N 2 1 286.444 3.462 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000386105756 542603192 /nfs/dbraw/zinc/60/31/92/542603192.db2.gz SIVIROZLUZENEK-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000414930055 542640311 /nfs/dbraw/zinc/64/03/11/542640311.db2.gz SJBYIPIRJWVOTK-NEPJUHHUSA-N 2 1 293.461 3.231 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000414924740 542640837 /nfs/dbraw/zinc/64/08/37/542640837.db2.gz KNCLOGAMOZYMGR-ZJUUUORDSA-N 2 1 273.207 3.353 20 0 CGADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415093677 542641983 /nfs/dbraw/zinc/64/19/83/542641983.db2.gz COHRZFAPUWZKLC-RBUKOAKNSA-N 2 1 295.430 3.015 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649320 391982941 /nfs/dbraw/zinc/98/29/41/391982941.db2.gz JKIIKXASMVTAQT-GJZGRUSLSA-N 2 1 258.409 3.130 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061329114 392127335 /nfs/dbraw/zinc/12/73/35/392127335.db2.gz LEGGIUXQRSYDTC-GXTWGEPZSA-N 2 1 264.438 3.057 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC1(C)C)[NH+]1CCCC1 ZINC000094303783 392240499 /nfs/dbraw/zinc/24/04/99/392240499.db2.gz PHAUVMZHRPBQFL-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CCC1CCC([N@@H+](CC2CC[NH2+]CC2)C2CC2)CC1 ZINC000094021360 392241141 /nfs/dbraw/zinc/24/11/41/392241141.db2.gz ZYBDRFVWKIMECQ-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000071160977 392188916 /nfs/dbraw/zinc/18/89/16/392188916.db2.gz GRTGBMOEMAFDDB-XJKSGUPXSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000092799308 392232972 /nfs/dbraw/zinc/23/29/72/392232972.db2.gz XRUAFYADRIKAJC-LVQVYYBASA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000092799308 392232976 /nfs/dbraw/zinc/23/29/76/392232976.db2.gz XRUAFYADRIKAJC-LVQVYYBASA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000092799308 392232979 /nfs/dbraw/zinc/23/29/79/392232979.db2.gz XRUAFYADRIKAJC-LVQVYYBASA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000092799308 392232981 /nfs/dbraw/zinc/23/29/81/392232981.db2.gz XRUAFYADRIKAJC-LVQVYYBASA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)Cc3occc32)CC[N@H+]1C ZINC000361763009 392317225 /nfs/dbraw/zinc/31/72/25/392317225.db2.gz GBBSSRQLIXLPAM-VNHYZAJKSA-N 2 1 276.424 3.365 20 0 CGADMP C[N@H+](CCC[NH+]1CCCCC1)CCOc1ccc(F)cc1 ZINC000361263161 392271042 /nfs/dbraw/zinc/27/10/42/392271042.db2.gz VKDQAKYXRWTWNZ-UHFFFAOYSA-N 2 1 294.414 3.012 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCOc1ccc(F)cc1 ZINC000361263161 392271049 /nfs/dbraw/zinc/27/10/49/392271049.db2.gz VKDQAKYXRWTWNZ-UHFFFAOYSA-N 2 1 294.414 3.012 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC000105443175 392289202 /nfs/dbraw/zinc/28/92/02/392289202.db2.gz VFKXFIAQKODKBQ-SNVBAGLBSA-N 2 1 283.828 3.332 20 0 CGADMP CCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000108879599 392348497 /nfs/dbraw/zinc/34/84/97/392348497.db2.gz SKSNSSHLHKHLBP-QWHCGFSZSA-N 2 1 264.438 3.027 20 0 CGADMP CCN(CC[C@H]1CCC[N@H+]1C)[C@H](C)c1cccc(O)c1 ZINC000245684977 131087385 /nfs/dbraw/zinc/08/73/85/131087385.db2.gz UYTBBSRFNVVALI-GDBMZVCRSA-N 2 1 276.424 3.259 20 0 CGADMP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)c1cccc(O)c1 ZINC000245684977 131087386 /nfs/dbraw/zinc/08/73/86/131087386.db2.gz UYTBBSRFNVVALI-GDBMZVCRSA-N 2 1 276.424 3.259 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)c1cccc(O)c1 ZINC000245684977 131087387 /nfs/dbraw/zinc/08/73/87/131087387.db2.gz UYTBBSRFNVVALI-GDBMZVCRSA-N 2 1 276.424 3.259 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000245958230 131090156 /nfs/dbraw/zinc/09/01/56/131090156.db2.gz RHWIOOWMIPITOB-DCGLDWPTSA-N 2 1 285.391 3.009 20 0 CGADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000247486116 131104030 /nfs/dbraw/zinc/10/40/30/131104030.db2.gz RHHSFYPMAWHNPJ-AEFFLSMTSA-N 2 1 299.418 3.153 20 0 CGADMP CCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000263770619 131326553 /nfs/dbraw/zinc/32/65/53/131326553.db2.gz ZRBUCSFNUBYZNQ-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000263770619 131326554 /nfs/dbraw/zinc/32/65/54/131326554.db2.gz ZRBUCSFNUBYZNQ-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178957789 392685800 /nfs/dbraw/zinc/68/58/00/392685800.db2.gz OUZNXJUHDTVXDN-QGZVFWFLSA-N 2 1 258.409 3.132 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174315937 392639192 /nfs/dbraw/zinc/63/91/92/392639192.db2.gz GUBFQSNTIZARNP-WCXIOVBPSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000181422681 392730125 /nfs/dbraw/zinc/73/01/25/392730125.db2.gz XERYSADKMKRDSL-IUODEOHRSA-N 2 1 266.816 3.475 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647479321 392734727 /nfs/dbraw/zinc/73/47/27/392734727.db2.gz CBWJVBURKATOEM-XWSJACJDSA-N 2 1 284.447 3.254 20 0 CGADMP Cc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(C)s1 ZINC000647482947 392737134 /nfs/dbraw/zinc/73/71/34/392737134.db2.gz MEDIXUAPLHQVKT-UHFFFAOYSA-N 2 1 264.438 3.081 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H](c2ccccc2)C(C)C)CC[C@H]1[NH3+] ZINC000647497481 392740580 /nfs/dbraw/zinc/74/05/80/392740580.db2.gz JHEIURBFCNZBIJ-BPQIPLTHSA-N 2 1 274.452 3.485 20 0 CGADMP CC[C@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647497366 392740670 /nfs/dbraw/zinc/74/06/70/392740670.db2.gz FAMPRRXWWXKCAC-WMZOPIPTSA-N 2 1 290.451 3.295 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1[NH3+] ZINC000647498982 392742368 /nfs/dbraw/zinc/74/23/68/392742368.db2.gz WHCGYCGEOVACEM-SJLPKXTDSA-N 2 1 295.430 3.308 20 0 CGADMP CO[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000182220886 392742698 /nfs/dbraw/zinc/74/26/98/392742698.db2.gz UXCIUWJXHHVSPS-LZLYRXPVSA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000182220886 392742702 /nfs/dbraw/zinc/74/27/02/392742702.db2.gz UXCIUWJXHHVSPS-LZLYRXPVSA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000182220886 392742704 /nfs/dbraw/zinc/74/27/04/392742704.db2.gz UXCIUWJXHHVSPS-LZLYRXPVSA-N 2 1 290.451 3.006 20 0 CGADMP CO[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000182220886 392742708 /nfs/dbraw/zinc/74/27/08/392742708.db2.gz UXCIUWJXHHVSPS-LZLYRXPVSA-N 2 1 290.451 3.006 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542722 392760073 /nfs/dbraw/zinc/76/00/73/392760073.db2.gz AOBJXZBIIRKTKY-QZTJIDSGSA-N 2 1 272.436 3.207 20 0 CGADMP CCC1CCC([N@@H+](CCn2ccnc2)C2CC2)CC1 ZINC000179314240 392695670 /nfs/dbraw/zinc/69/56/70/392695670.db2.gz YOCVRVMLANXPAB-UHFFFAOYSA-N 2 1 261.413 3.316 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000335037254 392766756 /nfs/dbraw/zinc/76/67/56/392766756.db2.gz BUOOOCPDOCLNGN-SJCJKPOMSA-N 2 1 267.376 3.222 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900385 392829078 /nfs/dbraw/zinc/82/90/78/392829078.db2.gz AHYNFQFJCULXKE-OWSLCNJRSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)CCN1C ZINC000338305260 392906471 /nfs/dbraw/zinc/90/64/71/392906471.db2.gz LJCFVEQAFAHQJK-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC000338305260 392906481 /nfs/dbraw/zinc/90/64/81/392906481.db2.gz LJCFVEQAFAHQJK-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC(F)(F)C2)CC[N@H+]1C ZINC000338305260 392906489 /nfs/dbraw/zinc/90/64/89/392906489.db2.gz LJCFVEQAFAHQJK-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)CC[NH+]1C ZINC000338305260 392906497 /nfs/dbraw/zinc/90/64/97/392906497.db2.gz LJCFVEQAFAHQJK-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)CC[NH+]1C ZINC000338305260 392906501 /nfs/dbraw/zinc/90/65/01/392906501.db2.gz LJCFVEQAFAHQJK-HZSPNIEDSA-N 2 1 274.399 3.226 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977017 392853629 /nfs/dbraw/zinc/85/36/29/392853629.db2.gz XAECISCVBHVPKO-RTBURBONSA-N 2 1 286.463 3.331 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000193433100 392877208 /nfs/dbraw/zinc/87/72/08/392877208.db2.gz QZHWYRUGLZYWJW-CWLKWCNXSA-N 2 1 290.451 3.083 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337272580 392878268 /nfs/dbraw/zinc/87/82/68/392878268.db2.gz CFNACMXGAHDZEP-PMPSAXMXSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000513756562 542732694 /nfs/dbraw/zinc/73/26/94/542732694.db2.gz YVOCPTFSFXYANM-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000525864009 392949354 /nfs/dbraw/zinc/94/93/54/392949354.db2.gz BALOZWDBWSFCKA-CABCVRRESA-N 2 1 278.415 3.251 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000401492020 392951499 /nfs/dbraw/zinc/95/14/99/392951499.db2.gz YSHVORCGDGALQE-KLHDSHLOSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCC2)C[C@@H]1c1ccccc1 ZINC000340194623 392966452 /nfs/dbraw/zinc/96/64/52/392966452.db2.gz AEAOTNXWQGHWNL-IAGOWNOFSA-N 2 1 258.409 3.212 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCC2)C[C@@H]1c1ccccc1 ZINC000340194623 392966458 /nfs/dbraw/zinc/96/64/58/392966458.db2.gz AEAOTNXWQGHWNL-IAGOWNOFSA-N 2 1 258.409 3.212 20 0 CGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000648406098 393001276 /nfs/dbraw/zinc/00/12/76/393001276.db2.gz ZXAWYLZEJFPLRG-KRWDZBQOSA-N 2 1 288.435 3.222 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000648417827 393007641 /nfs/dbraw/zinc/00/76/41/393007641.db2.gz BEFMHZCTSWWFSW-MAUKXSAKSA-N 2 1 284.447 3.008 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648438449 393017274 /nfs/dbraw/zinc/01/72/74/393017274.db2.gz KCVZSXRKTPNROH-APWZRJJASA-N 2 1 286.463 3.256 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000415002103 393088274 /nfs/dbraw/zinc/08/82/74/393088274.db2.gz NDWFZMRXCBQDJC-MOKVOYLWSA-N 2 1 274.399 3.036 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000415008448 393091002 /nfs/dbraw/zinc/09/10/02/393091002.db2.gz MOWWEXBYQKOFPZ-JGVFFNPUSA-N 2 1 280.721 3.184 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415017312 393098672 /nfs/dbraw/zinc/09/86/72/393098672.db2.gz POUWZWZIGGGCOC-CHWSQXEVSA-N 2 1 288.366 3.443 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C)[C@@H](C)C1 ZINC000467432866 393100410 /nfs/dbraw/zinc/10/04/10/393100410.db2.gz FZNBKMXECNUSQI-XSLAGTTESA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415035135 393105071 /nfs/dbraw/zinc/10/50/71/393105071.db2.gz DKNKMVYMPSYJEQ-JYJNAYRXSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@@H+]1C ZINC000414093978 393039370 /nfs/dbraw/zinc/03/93/70/393039370.db2.gz FYNYYHRRDYTDQG-KBXIAJHMSA-N 2 1 282.472 3.041 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@H+]1C ZINC000414093978 393039375 /nfs/dbraw/zinc/03/93/75/393039375.db2.gz FYNYYHRRDYTDQG-KBXIAJHMSA-N 2 1 282.472 3.041 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414192073 393043675 /nfs/dbraw/zinc/04/36/75/393043675.db2.gz SRXVVSNSCPEREZ-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP [NH3+]CCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000414682896 393052460 /nfs/dbraw/zinc/05/24/60/393052460.db2.gz SGQIWFUNCYHRQL-CQSZACIVSA-N 2 1 278.446 3.106 20 0 CGADMP [NH3+]CCC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000414682896 393052466 /nfs/dbraw/zinc/05/24/66/393052466.db2.gz SGQIWFUNCYHRQL-CQSZACIVSA-N 2 1 278.446 3.106 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414835761 393056468 /nfs/dbraw/zinc/05/64/68/393056468.db2.gz HSXPGBKMKKCRSH-RKTXRCNFSA-N 2 1 260.425 3.142 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057375 393120381 /nfs/dbraw/zinc/12/03/81/393120381.db2.gz UAMOVTRFYOFTPX-WMHOYKDJSA-N 2 1 270.420 3.164 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252881473 393126957 /nfs/dbraw/zinc/12/69/57/393126957.db2.gz YSTFKWFSSWBTEG-XTBFLFJDSA-N 2 1 278.827 3.460 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000415073344 393130204 /nfs/dbraw/zinc/13/02/04/393130204.db2.gz AWWVWPFNWDJIEH-UHFFFAOYSA-N 2 1 298.430 3.230 20 0 CGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415072343 393130391 /nfs/dbraw/zinc/13/03/91/393130391.db2.gz XWMJZXVICALDFR-RDTXWAMCSA-N 2 1 290.451 3.123 20 0 CGADMP c1ccc(C[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415083346 393137258 /nfs/dbraw/zinc/13/72/58/393137258.db2.gz PUDYRELFTZSBQY-OKZBNKHCSA-N 2 1 272.436 3.130 20 0 CGADMP CC1CC[NH+](C2CCC([NH2+]CC[NH2+]C(C)(C)C)CC2)CC1 ZINC000415119177 393150992 /nfs/dbraw/zinc/15/09/92/393150992.db2.gz XCWBBLPHVPZBBQ-UHFFFAOYSA-N 3 1 295.515 3.007 20 0 CGADMP CC1CC[NH+](C2CCC([NH2+]CCNC(C)(C)C)CC2)CC1 ZINC000415119177 393150994 /nfs/dbraw/zinc/15/09/94/393150994.db2.gz XCWBBLPHVPZBBQ-UHFFFAOYSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000470300761 393238671 /nfs/dbraw/zinc/23/86/71/393238671.db2.gz XFBBTINLTBVXPU-OALUTQOASA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000470300761 393238676 /nfs/dbraw/zinc/23/86/76/393238676.db2.gz XFBBTINLTBVXPU-OALUTQOASA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000470300761 393238685 /nfs/dbraw/zinc/23/86/85/393238685.db2.gz XFBBTINLTBVXPU-OALUTQOASA-N 2 1 286.463 3.379 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000470300761 393238692 /nfs/dbraw/zinc/23/86/92/393238692.db2.gz XFBBTINLTBVXPU-OALUTQOASA-N 2 1 286.463 3.379 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(C)ccc23)[C@@H](C)C1 ZINC000268822696 393204206 /nfs/dbraw/zinc/20/42/06/393204206.db2.gz PVBWXEHKKYIVOZ-MAUKXSAKSA-N 2 1 299.462 3.339 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277305595 393308316 /nfs/dbraw/zinc/30/83/16/393308316.db2.gz UJLFENLQMCEMHN-RDJZCZTQSA-N 2 1 260.425 3.206 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000279032199 393330295 /nfs/dbraw/zinc/33/02/95/393330295.db2.gz WHFZUCQNEISAMH-ROUUACIJSA-N 2 1 297.446 3.302 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000355215387 393262389 /nfs/dbraw/zinc/26/23/89/393262389.db2.gz CMOSIRFOGVVQDX-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000355215387 393262396 /nfs/dbraw/zinc/26/23/96/393262396.db2.gz CMOSIRFOGVVQDX-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000355215387 393262400 /nfs/dbraw/zinc/26/24/00/393262400.db2.gz CMOSIRFOGVVQDX-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000647224564 393395939 /nfs/dbraw/zinc/39/59/39/393395939.db2.gz NTESPHVUSZBNSL-JKSUJKDBSA-N 2 1 270.420 3.201 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000474733992 393345033 /nfs/dbraw/zinc/34/50/33/393345033.db2.gz ZZOFAAIOLDFGSW-KZNAEPCWSA-N 2 1 296.499 3.028 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCC(F)(F)CC2)CCCCC1 ZINC000647167516 393365423 /nfs/dbraw/zinc/36/54/23/393365423.db2.gz IYWBMYRUBSDBCV-UHFFFAOYSA-N 2 1 274.399 3.418 20 0 CGADMP c1ccc2sc([C@H]3CCC[N@H+]3C[C@@H]3CC[NH2+]C3)nc2c1 ZINC000649411162 393415421 /nfs/dbraw/zinc/41/54/21/393415421.db2.gz YUDRIFNNXDBCGO-TZMCWYRMSA-N 2 1 287.432 3.043 20 0 CGADMP c1ccc2sc([C@H]3CCC[N@@H+]3C[C@@H]3CC[NH2+]C3)nc2c1 ZINC000649411162 393415428 /nfs/dbraw/zinc/41/54/28/393415428.db2.gz YUDRIFNNXDBCGO-TZMCWYRMSA-N 2 1 287.432 3.043 20 0 CGADMP CSc1ccc(C[N@@H+](C)CCCn2ccnc2C)s1 ZINC000356302398 393415592 /nfs/dbraw/zinc/41/55/92/393415592.db2.gz NNNRTAZOLSUVNH-UHFFFAOYSA-N 2 1 295.477 3.497 20 0 CGADMP CSc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000356302398 393415598 /nfs/dbraw/zinc/41/55/98/393415598.db2.gz NNNRTAZOLSUVNH-UHFFFAOYSA-N 2 1 295.477 3.497 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420380434 393479956 /nfs/dbraw/zinc/47/99/56/393479956.db2.gz WQZGNZLTZCQFLQ-FVQBIDKESA-N 2 1 276.424 3.000 20 0 CGADMP CCCC[C@@H](COC)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000479900757 393434218 /nfs/dbraw/zinc/43/42/18/393434218.db2.gz KXVVWERHAKJBID-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000484277169 393445025 /nfs/dbraw/zinc/44/50/25/393445025.db2.gz BXGVAPSQCARYHL-CRAIPNDOSA-N 2 1 288.479 3.456 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C)[C@@H](C(C)C)C3)c2c1 ZINC000487084539 393448851 /nfs/dbraw/zinc/44/88/51/393448851.db2.gz NIMHFVQSQDXJJL-GOSISDBHSA-N 2 1 283.419 3.320 20 0 CGADMP CCCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420293646 393451410 /nfs/dbraw/zinc/45/14/10/393451410.db2.gz AAFUIVFSRYSRPV-OAHLLOKOSA-N 2 1 278.415 3.427 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(C(F)(F)F)c1 ZINC000420298282 393452895 /nfs/dbraw/zinc/45/28/95/393452895.db2.gz DVZGZXWCDIWPDI-LBPRGKRZSA-N 2 1 286.341 3.137 20 0 CGADMP C[C@@H]([NH3+])C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000420297788 393452932 /nfs/dbraw/zinc/45/29/32/393452932.db2.gz DOPGRFOGOYPVJI-MRXNPFEDSA-N 2 1 268.404 3.079 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000420297788 393452934 /nfs/dbraw/zinc/45/29/34/393452934.db2.gz DOPGRFOGOYPVJI-MRXNPFEDSA-N 2 1 268.404 3.079 20 0 CGADMP CC[N@H+](CCc1cccs1)CC[C@@H]1CCC[NH2+]C1 ZINC000420298664 393452944 /nfs/dbraw/zinc/45/29/44/393452944.db2.gz FNROOALBMBZBFX-AWEZNQCLSA-N 2 1 266.454 3.002 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(C)cc2)cc1 ZINC000420295985 393454252 /nfs/dbraw/zinc/45/42/52/393454252.db2.gz BHYZXPLNBGNBRS-SFHVURJKSA-N 2 1 298.430 3.178 20 0 CGADMP c1ccc(CC[N@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000420308909 393459428 /nfs/dbraw/zinc/45/94/28/393459428.db2.gz SNKLWDJHJBOPHY-GOSISDBHSA-N 2 1 286.463 3.473 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000428283907 393460377 /nfs/dbraw/zinc/46/03/77/393460377.db2.gz JLOXUHTVIFVIRP-PQEBFOHHSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000428283907 393460383 /nfs/dbraw/zinc/46/03/83/393460383.db2.gz JLOXUHTVIFVIRP-PQEBFOHHSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000428283907 393460389 /nfs/dbraw/zinc/46/03/89/393460389.db2.gz JLOXUHTVIFVIRP-PQEBFOHHSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000428283907 393460395 /nfs/dbraw/zinc/46/03/95/393460395.db2.gz JLOXUHTVIFVIRP-PQEBFOHHSA-N 2 1 264.457 3.393 20 0 CGADMP Fc1ccc(C[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420314656 393460795 /nfs/dbraw/zinc/46/07/95/393460795.db2.gz ZGYXHMOKQMEEPY-SJORKVTESA-N 2 1 290.426 3.080 20 0 CGADMP C[C@@H]1SCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000420312723 393460882 /nfs/dbraw/zinc/46/08/82/393460882.db2.gz XCCCSNYOBUDJMF-YQQAZPJKSA-N 2 1 290.476 3.165 20 0 CGADMP Fc1ccc(C[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420314651 393461961 /nfs/dbraw/zinc/46/19/61/393461961.db2.gz ZGYXHMOKQMEEPY-DLBZAZTESA-N 2 1 290.426 3.080 20 0 CGADMP CCc1cccc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420316997 393463605 /nfs/dbraw/zinc/46/36/05/393463605.db2.gz UDKROPQWQAOXFW-QGZVFWFLSA-N 2 1 260.425 3.213 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420318750 393464166 /nfs/dbraw/zinc/46/41/66/393464166.db2.gz OSWOAASNRQTYML-NVXWUHKLSA-N 2 1 258.409 3.132 20 0 CGADMP CC1CCC([N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC000420320539 393465136 /nfs/dbraw/zinc/46/51/36/393465136.db2.gz QNRHKMNYCHYSQV-HWOWSKLDSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1csc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420322065 393466456 /nfs/dbraw/zinc/46/64/56/393466456.db2.gz RZCMTUUPPZOKLP-HUUCEWRRSA-N 2 1 293.480 3.021 20 0 CGADMP COc1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420327264 393468716 /nfs/dbraw/zinc/46/87/16/393468716.db2.gz YAJGOZMQWASWJO-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1c(Br)cccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420356796 393473472 /nfs/dbraw/zinc/47/34/72/393473472.db2.gz GMVUENIXWUKHBX-CYBMUJFWSA-N 2 1 299.256 3.221 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420365252 393474553 /nfs/dbraw/zinc/47/45/53/393474553.db2.gz IWAGHCANUOJMEO-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420365252 393474559 /nfs/dbraw/zinc/47/45/59/393474559.db2.gz IWAGHCANUOJMEO-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1ccc([C@]2(C)CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420359891 393474593 /nfs/dbraw/zinc/47/45/93/393474593.db2.gz LARCKQNDCAUYNQ-PKOBYXMFSA-N 2 1 286.463 3.348 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248902 393412196 /nfs/dbraw/zinc/41/21/96/393412196.db2.gz NQVHNIIHEFBTGN-NRSFXHEJSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CC1(C)C ZINC000647249109 393412383 /nfs/dbraw/zinc/41/23/83/393412383.db2.gz BNCBFVHPTHUBCC-XOYOTBSWSA-N 2 1 286.463 3.356 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000420412748 393486185 /nfs/dbraw/zinc/48/61/85/393486185.db2.gz SPTHZGQJDQWAON-SUYBPPKGSA-N 2 1 276.399 3.120 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2C[C@H]2C)cc1F ZINC000488432687 393510502 /nfs/dbraw/zinc/51/05/02/393510502.db2.gz HAEUVDMYIZHXRC-BXUZGUMPSA-N 2 1 273.355 3.065 20 0 CGADMP C[NH+](C)C1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000420632345 393511619 /nfs/dbraw/zinc/51/16/19/393511619.db2.gz WSXMWIPXYDRFDI-UHFFFAOYSA-N 2 1 275.421 3.003 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066812 393515399 /nfs/dbraw/zinc/51/53/99/393515399.db2.gz AWMSKVQLZBEDNC-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066812 393515404 /nfs/dbraw/zinc/51/54/04/393515404.db2.gz AWMSKVQLZBEDNC-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066812 393515412 /nfs/dbraw/zinc/51/54/12/393515412.db2.gz AWMSKVQLZBEDNC-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430066812 393515416 /nfs/dbraw/zinc/51/54/16/393515416.db2.gz AWMSKVQLZBEDNC-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(F)cn1 ZINC000357858951 393517795 /nfs/dbraw/zinc/51/77/95/393517795.db2.gz VTPBTIAKCZMVOV-OAHLLOKOSA-N 2 1 293.430 3.383 20 0 CGADMP C[C@H](CC[NH2+]C[C@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000488461518 393523639 /nfs/dbraw/zinc/52/36/39/393523639.db2.gz LDGCRAKJDKHREC-BFYDXBDKSA-N 2 1 260.425 3.143 20 0 CGADMP Cc1cc2[nH]c(CN3CC[C@]4(CC[N@H+](C)C4)C3)cc2c(C)c1 ZINC000430130924 393527554 /nfs/dbraw/zinc/52/75/54/393527554.db2.gz KYZCUERWSWQULK-IBGZPJMESA-N 2 1 297.446 3.312 20 0 CGADMP Cc1cc2[nH]c(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc2c(C)c1 ZINC000430130924 393527559 /nfs/dbraw/zinc/52/75/59/393527559.db2.gz KYZCUERWSWQULK-IBGZPJMESA-N 2 1 297.446 3.312 20 0 CGADMP Cc1cc2[nH]c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc2c(C)c1 ZINC000430130924 393527567 /nfs/dbraw/zinc/52/75/67/393527567.db2.gz KYZCUERWSWQULK-IBGZPJMESA-N 2 1 297.446 3.312 20 0 CGADMP Cc1cc2[nH]c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c(C)c1 ZINC000430130924 393527571 /nfs/dbraw/zinc/52/75/71/393527571.db2.gz KYZCUERWSWQULK-IBGZPJMESA-N 2 1 297.446 3.312 20 0 CGADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c(C)c1 ZINC000430130924 393527577 /nfs/dbraw/zinc/52/75/77/393527577.db2.gz KYZCUERWSWQULK-IBGZPJMESA-N 2 1 297.446 3.312 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663143 393532026 /nfs/dbraw/zinc/53/20/26/393532026.db2.gz ZEMVDFAKXPMUBO-QZTJIDSGSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663143 393532028 /nfs/dbraw/zinc/53/20/28/393532028.db2.gz ZEMVDFAKXPMUBO-QZTJIDSGSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663143 393532035 /nfs/dbraw/zinc/53/20/35/393532035.db2.gz ZEMVDFAKXPMUBO-QZTJIDSGSA-N 2 1 290.426 3.273 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C2CC2)C2CCCCC2)CC[NH2+]1 ZINC000666621446 542802764 /nfs/dbraw/zinc/80/27/64/542802764.db2.gz VSPBEVNUKOIBSI-KGLIPLIRSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000430552830 393574741 /nfs/dbraw/zinc/57/47/41/393574741.db2.gz BUUUHIYTDBQACH-JKSUJKDBSA-N 2 1 292.492 3.455 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770236 542814624 /nfs/dbraw/zinc/81/46/24/542814624.db2.gz QATODQCIURTTJP-UKRRQHHQSA-N 2 1 278.465 3.071 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)s1 ZINC000360856008 393598649 /nfs/dbraw/zinc/59/86/49/393598649.db2.gz GATAZQMLWFTYGR-GHMZBOCLSA-N 2 1 269.458 3.005 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000360887068 393606808 /nfs/dbraw/zinc/60/68/08/393606808.db2.gz VERYRQQZIMUPSK-VQIMIIECSA-N 2 1 296.414 3.414 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430607547 393580343 /nfs/dbraw/zinc/58/03/43/393580343.db2.gz CKOCZOQEKZFNGE-OAHLLOKOSA-N 2 1 297.402 3.045 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430607547 393580351 /nfs/dbraw/zinc/58/03/51/393580351.db2.gz CKOCZOQEKZFNGE-OAHLLOKOSA-N 2 1 297.402 3.045 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2c(C)cccc2C)C1 ZINC000430668352 393583716 /nfs/dbraw/zinc/58/37/16/393583716.db2.gz RDLGAAIMAYXSAT-QGZVFWFLSA-N 2 1 290.451 3.004 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC(OC(C)(C)C)C2)[C@@H](C)C1 ZINC000432426914 393612823 /nfs/dbraw/zinc/61/28/23/393612823.db2.gz ASVMLIOTACMKKU-OTBWCIGPSA-N 2 1 296.499 3.290 20 0 CGADMP COc1ccc(F)cc1CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000360950422 393623217 /nfs/dbraw/zinc/62/32/17/393623217.db2.gz CFBCRXRLBAGHCF-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000360950422 393623220 /nfs/dbraw/zinc/62/32/20/393623220.db2.gz CFBCRXRLBAGHCF-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000360950422 393623223 /nfs/dbraw/zinc/62/32/23/393623223.db2.gz CFBCRXRLBAGHCF-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CC[NH3+])C1 ZINC000423188138 393653225 /nfs/dbraw/zinc/65/32/25/393653225.db2.gz PRICRILBLBALHZ-QMTHXVAHSA-N 2 1 297.240 3.011 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423240507 393656315 /nfs/dbraw/zinc/65/63/15/393656315.db2.gz HGYZBEIKMLVVAN-HNNXBMFYSA-N 2 1 260.425 3.086 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000423268930 393657492 /nfs/dbraw/zinc/65/74/92/393657492.db2.gz VJBYPVQPCQRWLH-JSGCOSHPSA-N 2 1 264.438 3.187 20 0 CGADMP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cnn1C(C)C ZINC000423268225 393658143 /nfs/dbraw/zinc/65/81/43/393658143.db2.gz UMQWXJOKSKCBRW-DYVFJYSZSA-N 2 1 292.471 3.331 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC(C)(C)[NH3+])CCCO2 ZINC000423283544 393658894 /nfs/dbraw/zinc/65/88/94/393658894.db2.gz FQQVUSVWVVVUKR-OAHLLOKOSA-N 2 1 276.424 3.351 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000423297036 393660272 /nfs/dbraw/zinc/66/02/72/393660272.db2.gz ILQQCFILEPUUOG-HOCLYGCPSA-N 2 1 262.441 3.460 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000423469340 393669366 /nfs/dbraw/zinc/66/93/66/393669366.db2.gz OUJZNCKNFSHDSV-OUJBWJOFSA-N 2 1 297.240 3.324 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423478902 393669983 /nfs/dbraw/zinc/66/99/83/393669983.db2.gz UWDNXMFFAVSMKP-HZMBPMFUSA-N 2 1 252.789 3.044 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423479446 393670197 /nfs/dbraw/zinc/67/01/97/393670197.db2.gz VGQZQESDEXBHCZ-QPUJVOFHSA-N 2 1 273.207 3.308 20 0 CGADMP CCC(CC)(CC)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000433028434 393670477 /nfs/dbraw/zinc/67/04/77/393670477.db2.gz OJFPQINCQSXXAB-MRXNPFEDSA-N 2 1 284.488 3.293 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1OC ZINC000423526372 393671321 /nfs/dbraw/zinc/67/13/21/393671321.db2.gz LIJXVXCGFZYNQY-HZPDHXFCSA-N 2 1 276.424 3.253 20 0 CGADMP CC1(C)CC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000433164584 393691672 /nfs/dbraw/zinc/69/16/72/393691672.db2.gz RUZPGTNSYGDMDL-QGZVFWFLSA-N 2 1 286.463 3.329 20 0 CGADMP CCCCC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435723682 393715351 /nfs/dbraw/zinc/71/53/51/393715351.db2.gz PTPADPCRXADIMI-AWEZNQCLSA-N 2 1 281.469 3.053 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000495170086 393778126 /nfs/dbraw/zinc/77/81/26/393778126.db2.gz YCOVAHSPGZVJJC-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000495170086 393778127 /nfs/dbraw/zinc/77/81/27/393778127.db2.gz YCOVAHSPGZVJJC-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000495170086 393778129 /nfs/dbraw/zinc/77/81/29/393778129.db2.gz YCOVAHSPGZVJJC-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000495170086 393778130 /nfs/dbraw/zinc/77/81/30/393778130.db2.gz YCOVAHSPGZVJJC-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000495170086 393778131 /nfs/dbraw/zinc/77/81/31/393778131.db2.gz YCOVAHSPGZVJJC-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000499639015 393802574 /nfs/dbraw/zinc/80/25/74/393802574.db2.gz ZYYKBLRVEYDWEE-BZSNNMDCSA-N 2 1 298.515 3.395 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000502284698 393872402 /nfs/dbraw/zinc/87/24/02/393872402.db2.gz HMMJFCLBJSLZOG-VQHPVUNQSA-N 2 1 264.457 3.275 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000501421829 393852387 /nfs/dbraw/zinc/85/23/87/393852387.db2.gz JSANLGPEZUYLSV-AKTZAPLRSA-N 2 1 270.420 3.306 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000501421829 393852396 /nfs/dbraw/zinc/85/23/96/393852396.db2.gz JSANLGPEZUYLSV-AKTZAPLRSA-N 2 1 270.420 3.306 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000449621165 393923693 /nfs/dbraw/zinc/92/36/93/393923693.db2.gz GWWGMWWOLTWGRM-HUUCEWRRSA-N 2 1 294.464 3.042 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000453080411 394164309 /nfs/dbraw/zinc/16/43/09/394164309.db2.gz LTZNZXSWBBITNQ-DZGCQCFKSA-N 2 1 296.480 3.244 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453100625 394170864 /nfs/dbraw/zinc/17/08/64/394170864.db2.gz XWAZLQCDBFICCZ-JKSUJKDBSA-N 2 1 277.456 3.113 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453100625 394170869 /nfs/dbraw/zinc/17/08/69/394170869.db2.gz XWAZLQCDBFICCZ-JKSUJKDBSA-N 2 1 277.456 3.113 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)C ZINC000453213298 394207275 /nfs/dbraw/zinc/20/72/75/394207275.db2.gz ORWLFAOCAZOHJT-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C(C)(C)C ZINC000453213298 394207278 /nfs/dbraw/zinc/20/72/78/394207278.db2.gz ORWLFAOCAZOHJT-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C12CCCC2 ZINC000453388591 394227128 /nfs/dbraw/zinc/22/71/28/394227128.db2.gz BPSLYMSYZDFIGJ-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000453402228 394234546 /nfs/dbraw/zinc/23/45/46/394234546.db2.gz NNCSUGTYWFBFEQ-KRWDZBQOSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(C3CCC3)CCC2)CC[N@H+]1C ZINC000453411064 394238471 /nfs/dbraw/zinc/23/84/71/394238471.db2.gz XEHGIGANSLTONJ-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCC1 ZINC000453415161 394240284 /nfs/dbraw/zinc/24/02/84/394240284.db2.gz XDZYZZWRBYXBLF-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccnc1 ZINC000453420805 394241969 /nfs/dbraw/zinc/24/19/69/394241969.db2.gz ZTYBDHPSFXZFLL-KRWDZBQOSA-N 2 1 275.440 3.387 20 0 CGADMP Cc1cccc(CC[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453596549 394253656 /nfs/dbraw/zinc/25/36/56/394253656.db2.gz LTFXBSMHARYKRO-UHFFFAOYSA-N 2 1 260.425 3.002 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cnc(C2CCC2)s1)C1CC1 ZINC000453600251 394254107 /nfs/dbraw/zinc/25/41/07/394254107.db2.gz SCENWLFROHGJGE-UHFFFAOYSA-N 2 1 293.480 3.375 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000453600238 394254291 /nfs/dbraw/zinc/25/42/91/394254291.db2.gz SATVRHANJCJQOJ-FUHWJXTLSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@H]3CCN(C)C[C@H]3C)cc21 ZINC000668172957 542980301 /nfs/dbraw/zinc/98/03/01/542980301.db2.gz XYXMSKOTAFLIFO-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(CN(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc21 ZINC000668172957 542980305 /nfs/dbraw/zinc/98/03/05/542980305.db2.gz XYXMSKOTAFLIFO-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(CN(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc21 ZINC000668172957 542980308 /nfs/dbraw/zinc/98/03/08/542980308.db2.gz XYXMSKOTAFLIFO-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc21 ZINC000668172957 542980311 /nfs/dbraw/zinc/98/03/11/542980311.db2.gz XYXMSKOTAFLIFO-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)C[C@H]3C)cc21 ZINC000668172957 542980313 /nfs/dbraw/zinc/98/03/13/542980313.db2.gz XYXMSKOTAFLIFO-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)cc21 ZINC000668172957 542980317 /nfs/dbraw/zinc/98/03/17/542980317.db2.gz XYXMSKOTAFLIFO-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)cc21 ZINC000668172957 542980318 /nfs/dbraw/zinc/98/03/18/542980318.db2.gz XYXMSKOTAFLIFO-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP c1cc(C[N@@H+]2CC[C@H](C3CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668244052 542998483 /nfs/dbraw/zinc/99/84/83/542998483.db2.gz PAWSPINYLCDBNR-INIZCTEOSA-N 2 1 296.418 3.279 20 0 CGADMP c1cc(C[N@H+]2CC[C@H](C3CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668244052 542998485 /nfs/dbraw/zinc/99/84/85/542998485.db2.gz PAWSPINYLCDBNR-INIZCTEOSA-N 2 1 296.418 3.279 20 0 CGADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668587165 543032068 /nfs/dbraw/zinc/03/20/68/543032068.db2.gz JADGLVLGFPJASH-JKSUJKDBSA-N 2 1 262.441 3.482 20 0 CGADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668587165 543032069 /nfs/dbraw/zinc/03/20/69/543032069.db2.gz JADGLVLGFPJASH-JKSUJKDBSA-N 2 1 262.441 3.482 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000671739984 543183495 /nfs/dbraw/zinc/18/34/95/543183495.db2.gz TXXKFKRHVGETGP-GBESFXJTSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000671746910 543185197 /nfs/dbraw/zinc/18/51/97/543185197.db2.gz VKDMHEKPFGDOSE-SQNIBIBYSA-N 2 1 290.426 3.221 20 0 CGADMP COC1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000483283777 292112518 /nfs/dbraw/zinc/11/25/18/292112518.db2.gz ZHMJCROHNGHDGU-KRWDZBQOSA-N 2 1 294.483 3.144 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000300417703 397673347 /nfs/dbraw/zinc/67/33/47/397673347.db2.gz ZFBZKWGRPIOCIO-RHSMWYFYSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000300417703 397673351 /nfs/dbraw/zinc/67/33/51/397673351.db2.gz ZFBZKWGRPIOCIO-RHSMWYFYSA-N 2 1 276.399 3.098 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2c(OC)ccc3ccccc32)CC[C@H]1[NH3+] ZINC000387608337 397690376 /nfs/dbraw/zinc/69/03/76/397690376.db2.gz XRIAYCHREZGTET-KBXCAEBGSA-N 2 1 298.430 3.408 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c1)CCC2 ZINC000650702891 397897499 /nfs/dbraw/zinc/89/74/99/397897499.db2.gz ZRWDVTPBUQGNDG-IEBWSBKVSA-N 2 1 284.447 3.139 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC[NH2+]1 ZINC000650708955 397898010 /nfs/dbraw/zinc/89/80/10/397898010.db2.gz WOVNQWBWFQHNQM-RKVPGOIHSA-N 2 1 290.426 3.177 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cc1F ZINC000650751945 397908496 /nfs/dbraw/zinc/90/84/96/397908496.db2.gz GCZJULJSEIZQMR-JTQLQIEISA-N 2 1 294.320 3.413 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880376 543369172 /nfs/dbraw/zinc/36/91/72/543369172.db2.gz DMPZAMRVFULMFL-FUHWJXTLSA-N 2 1 294.483 3.354 20 0 CGADMP CC[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678140329 543487961 /nfs/dbraw/zinc/48/79/61/543487961.db2.gz FGEAAKHMBDDTJJ-MRXNPFEDSA-N 2 1 290.451 3.392 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000678077543 543481285 /nfs/dbraw/zinc/48/12/85/543481285.db2.gz UQZBGHKKPSVCRD-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678077543 543481287 /nfs/dbraw/zinc/48/12/87/543481287.db2.gz UQZBGHKKPSVCRD-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678077543 543481291 /nfs/dbraw/zinc/48/12/91/543481291.db2.gz UQZBGHKKPSVCRD-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP c1ccc(C2CC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000678277051 543509228 /nfs/dbraw/zinc/50/92/28/543509228.db2.gz PUIJFGDSESOOTO-MRXNPFEDSA-N 2 1 284.447 3.482 20 0 CGADMP CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678271129 543506565 /nfs/dbraw/zinc/50/65/65/543506565.db2.gz OREGHIHWWPMZKS-RDJZCZTQSA-N 2 1 290.451 3.247 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)nc2C)C1 ZINC000678414939 543522513 /nfs/dbraw/zinc/52/25/13/543522513.db2.gz WMICIZPODNGKIE-HOCLYGCPSA-N 2 1 275.440 3.081 20 0 CGADMP Clc1ccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678582554 543537659 /nfs/dbraw/zinc/53/76/59/543537659.db2.gz KRUICSIBRYOJBE-SJORKVTESA-N 2 1 292.854 3.489 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000678581188 543537213 /nfs/dbraw/zinc/53/72/13/543537213.db2.gz NSZIPYVRJFWCBZ-HNNXBMFYSA-N 2 1 275.440 3.222 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCCC2)[C@@H](C)C1 ZINC000678597906 543541116 /nfs/dbraw/zinc/54/11/16/543541116.db2.gz JUYURTCIMVZCMB-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CC(C)(C)c1ccccc1 ZINC000678729122 543551599 /nfs/dbraw/zinc/55/15/99/543551599.db2.gz YJBCIKQJFXWGMG-UHFFFAOYSA-N 2 1 271.408 3.149 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@@H](n2ccnc2)C1)c1ccccc1 ZINC000678822155 543563262 /nfs/dbraw/zinc/56/32/62/543563262.db2.gz FFBJJVUGGZNUTM-QGZVFWFLSA-N 2 1 283.419 3.498 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554050349 289253568 /nfs/dbraw/zinc/25/35/68/289253568.db2.gz JRZYVBWAGRUUAY-AUOOEQCUSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554050349 289253569 /nfs/dbraw/zinc/25/35/69/289253569.db2.gz JRZYVBWAGRUUAY-AUOOEQCUSA-N 2 1 264.457 3.131 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000556203337 289377097 /nfs/dbraw/zinc/37/70/97/289377097.db2.gz KNOZRBCLYLXCFF-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP COCCC1(C[NH2+]CC2([NH+](C)C)CCCC2)CCCCC1 ZINC000436270144 292305935 /nfs/dbraw/zinc/30/59/35/292305935.db2.gz MXRQQOGARVOKFN-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CC2(CCC2)C1 ZINC000459495173 289582750 /nfs/dbraw/zinc/58/27/50/289582750.db2.gz DJHMPNJIFBLWAH-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCSCC1 ZINC000474490091 287018441 /nfs/dbraw/zinc/01/84/41/287018441.db2.gz OKGPCVNRGOIVCX-CQSZACIVSA-N 2 1 284.513 3.372 20 0 CGADMP CC(C)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109800 287031843 /nfs/dbraw/zinc/03/18/43/287031843.db2.gz LTKHRHXHBZQCSJ-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109800 287031845 /nfs/dbraw/zinc/03/18/45/287031845.db2.gz LTKHRHXHBZQCSJ-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109800 287031847 /nfs/dbraw/zinc/03/18/47/287031847.db2.gz LTKHRHXHBZQCSJ-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)COC2 ZINC000423266005 287054243 /nfs/dbraw/zinc/05/42/43/287054243.db2.gz RNCJFKUSTHPYMK-ACJLOTCBSA-N 2 1 288.435 3.275 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSc2ccccc2)[C@H](C)C1 ZINC000081096516 287070841 /nfs/dbraw/zinc/07/08/41/287070841.db2.gz BRZSNNJLIWXZKD-NVXWUHKLSA-N 2 1 292.492 3.441 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSc2ccccc2)[C@H](C)C1 ZINC000081096516 287070843 /nfs/dbraw/zinc/07/08/43/287070843.db2.gz BRZSNNJLIWXZKD-NVXWUHKLSA-N 2 1 292.492 3.441 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSc2ccccc2)[C@H](C)C1 ZINC000081096516 287070846 /nfs/dbraw/zinc/07/08/46/287070846.db2.gz BRZSNNJLIWXZKD-NVXWUHKLSA-N 2 1 292.492 3.441 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425706 287089670 /nfs/dbraw/zinc/08/96/70/287089670.db2.gz ARMMIZLYUJKYSV-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425706 287089674 /nfs/dbraw/zinc/08/96/74/287089674.db2.gz ARMMIZLYUJKYSV-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425706 287089675 /nfs/dbraw/zinc/08/96/75/287089675.db2.gz ARMMIZLYUJKYSV-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP CN(C)c1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075861282 165106674 /nfs/dbraw/zinc/10/66/74/165106674.db2.gz HVNFOTLGTBYJTC-QGZVFWFLSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075861282 165106676 /nfs/dbraw/zinc/10/66/76/165106676.db2.gz HVNFOTLGTBYJTC-QGZVFWFLSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075861282 165106678 /nfs/dbraw/zinc/10/66/78/165106678.db2.gz HVNFOTLGTBYJTC-QGZVFWFLSA-N 2 1 289.467 3.059 20 0 CGADMP CN(C)c1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075861282 165106680 /nfs/dbraw/zinc/10/66/80/165106680.db2.gz HVNFOTLGTBYJTC-QGZVFWFLSA-N 2 1 289.467 3.059 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000430694972 287107926 /nfs/dbraw/zinc/10/79/26/287107926.db2.gz FYXCZKQFWSBFDX-SQWLQELKSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683758 165333993 /nfs/dbraw/zinc/33/39/93/165333993.db2.gz NLBYQLFJZDRQNH-QGZVFWFLSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683758 165333995 /nfs/dbraw/zinc/33/39/95/165333995.db2.gz NLBYQLFJZDRQNH-QGZVFWFLSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683769 165335991 /nfs/dbraw/zinc/33/59/91/165335991.db2.gz GXOMRFMEHXXTDY-INIZCTEOSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683769 165335992 /nfs/dbraw/zinc/33/59/92/165335992.db2.gz GXOMRFMEHXXTDY-INIZCTEOSA-N 2 1 288.435 3.003 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093872925 165340922 /nfs/dbraw/zinc/34/09/22/165340922.db2.gz HAHLODCOUZGXLL-LLVKDONJSA-N 2 1 299.256 3.427 20 0 CGADMP C[C@H](CNc1cc[nH+]cc1Cl)C[NH+]1CCCCC1 ZINC000094272515 165346312 /nfs/dbraw/zinc/34/63/12/165346312.db2.gz GEKCKOLVCHLPLI-GFCCVEGCSA-N 2 1 267.804 3.269 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261701385 287133371 /nfs/dbraw/zinc/13/33/71/287133371.db2.gz ILVCRJZBHSOYKE-SMDDNHRTSA-N 2 1 286.341 3.437 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119699045 287172844 /nfs/dbraw/zinc/17/28/44/287172844.db2.gz PGDAPVCTJMKPJA-XJKSGUPXSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000121766522 287203132 /nfs/dbraw/zinc/20/31/32/287203132.db2.gz PYXXZGUPJWEYQK-HNNXBMFYSA-N 2 1 296.842 3.403 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344294492 287213936 /nfs/dbraw/zinc/21/39/36/287213936.db2.gz ITTZFDXHQJUKPO-UKRRQHHQSA-N 2 1 250.430 3.053 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000284211269 196003389 /nfs/dbraw/zinc/00/33/89/196003389.db2.gz GWHDATAWSJUIPJ-ROUUACIJSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCCCC1 ZINC000125278574 287242166 /nfs/dbraw/zinc/24/21/66/287242166.db2.gz CCOZRFWLPGQAGU-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(O)c1 ZINC000020146309 171032835 /nfs/dbraw/zinc/03/28/35/171032835.db2.gz WKMCCJRPTICXKA-OAHLLOKOSA-N 2 1 276.424 3.165 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000125975246 287254283 /nfs/dbraw/zinc/25/42/83/287254283.db2.gz OBYZWQJEVJJLQQ-GOEBONIOSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000021513339 171311232 /nfs/dbraw/zinc/31/12/32/171311232.db2.gz IAJNSFCJCVCRLM-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP Clc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000021812032 171329747 /nfs/dbraw/zinc/32/97/47/171329747.db2.gz JTWKQUSAQIBXGQ-UHFFFAOYSA-N 2 1 266.816 3.306 20 0 CGADMP C[N@@H+](CCSc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285350486 196257909 /nfs/dbraw/zinc/25/79/09/196257909.db2.gz AWBJPFONCIILOY-XYPWUTKMSA-N 2 1 290.476 3.336 20 0 CGADMP C[NH+](CCSc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285350486 196257910 /nfs/dbraw/zinc/25/79/10/196257910.db2.gz AWBJPFONCIILOY-XYPWUTKMSA-N 2 1 290.476 3.336 20 0 CGADMP C[NH+](CCSc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285350486 196257912 /nfs/dbraw/zinc/25/79/12/196257912.db2.gz AWBJPFONCIILOY-XYPWUTKMSA-N 2 1 290.476 3.336 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000037150455 172986100 /nfs/dbraw/zinc/98/61/00/172986100.db2.gz MAZMSTHJQMRWQX-CQSZACIVSA-N 2 1 276.424 3.307 20 0 CGADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037249050 173061107 /nfs/dbraw/zinc/06/11/07/173061107.db2.gz KWSRWBWWSWNFDX-KRWDZBQOSA-N 2 1 260.425 3.458 20 0 CGADMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000037267033 173077611 /nfs/dbraw/zinc/07/76/11/173077611.db2.gz VBUVZZRNSHCQPC-HNNXBMFYSA-N 2 1 260.425 3.357 20 0 CGADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000037318657 173119209 /nfs/dbraw/zinc/11/92/09/173119209.db2.gz CCSRGMIBJNZBNB-GOSISDBHSA-N 2 1 288.410 3.493 20 0 CGADMP Cc1nccn1CCC[N@H+](C)CCC1CCCCC1 ZINC000127330928 287285782 /nfs/dbraw/zinc/28/57/82/287285782.db2.gz VQVGTDXQQNGVMM-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC1CCCCC1 ZINC000127330928 287285786 /nfs/dbraw/zinc/28/57/86/287285786.db2.gz VQVGTDXQQNGVMM-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC1CCCCC1 ZINC000127330928 287285789 /nfs/dbraw/zinc/28/57/89/287285789.db2.gz VQVGTDXQQNGVMM-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000040591820 174347539 /nfs/dbraw/zinc/34/75/39/174347539.db2.gz QNBXCDOHEJQSHY-MRXNPFEDSA-N 2 1 260.425 3.043 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527917 175192508 /nfs/dbraw/zinc/19/25/08/175192508.db2.gz GBOORGCJGUMORA-NWDGAFQWSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527917 175192509 /nfs/dbraw/zinc/19/25/09/175192509.db2.gz GBOORGCJGUMORA-NWDGAFQWSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](CC1CC1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000128763132 287318003 /nfs/dbraw/zinc/31/80/03/287318003.db2.gz LBWDXGLWXVCKLT-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000049257385 416470070 /nfs/dbraw/zinc/47/00/70/416470070.db2.gz GEINXAMACOBKQG-AEFFLSMTSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953745 416478352 /nfs/dbraw/zinc/47/83/52/416478352.db2.gz AAZHORQEXAPRAS-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000315061938 416537840 /nfs/dbraw/zinc/53/78/40/416537840.db2.gz ZYYVSBGNYJTAQJ-OIISXLGYSA-N 2 1 280.415 3.442 20 0 CGADMP CC[C@H]1C[N@@H+](CCOc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000316770468 416538885 /nfs/dbraw/zinc/53/88/85/416538885.db2.gz DWIMGMLSWGXQBN-HNAYVOBHSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)[C@@H]1CC[NH3+] ZINC000404330064 416551857 /nfs/dbraw/zinc/55/18/57/416551857.db2.gz YLUOAALQVXZPRI-IUODEOHRSA-N 2 1 298.377 3.237 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)[C@@H]1CC[NH3+] ZINC000404319552 416551998 /nfs/dbraw/zinc/55/19/98/416551998.db2.gz IOVCTCWEVNOUGG-KBXCAEBGSA-N 2 1 283.419 3.184 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)[C@H]1CC[NH3+] ZINC000404369255 416553107 /nfs/dbraw/zinc/55/31/07/416553107.db2.gz IFOOAHKCLMEYEI-KDOFPFPSSA-N 2 1 283.419 3.184 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC[C@@H]1[NH3+] ZINC000122400474 416504594 /nfs/dbraw/zinc/50/45/94/416504594.db2.gz DLBLWDMVISAEDZ-PBHICJAKSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[C@H](F)C2)C[C@H]1F ZINC000679227732 543604505 /nfs/dbraw/zinc/60/45/05/543604505.db2.gz ZYCHDZWCHPSUBL-QKPAOTATSA-N 2 1 288.426 3.126 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[C@H](F)C2)C[C@H]1F ZINC000679227732 543604510 /nfs/dbraw/zinc/60/45/10/543604510.db2.gz ZYCHDZWCHPSUBL-QKPAOTATSA-N 2 1 288.426 3.126 20 0 CGADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[C@H](F)C2)C[C@H]1F ZINC000679227732 543604514 /nfs/dbraw/zinc/60/45/14/543604514.db2.gz ZYCHDZWCHPSUBL-QKPAOTATSA-N 2 1 288.426 3.126 20 0 CGADMP C/C=C\C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679822941 543662262 /nfs/dbraw/zinc/66/22/62/543662262.db2.gz FOPAYLKTAMTTTI-ZFDPJTLLSA-N 2 1 255.365 3.407 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cscc2Cl)CC1 ZINC000682782430 543868968 /nfs/dbraw/zinc/86/89/68/543868968.db2.gz PKJRUVWUXJDLHT-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cscc2Cl)CC1 ZINC000682782430 543868970 /nfs/dbraw/zinc/86/89/70/543868970.db2.gz PKJRUVWUXJDLHT-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP Cc1ccnc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000683022707 543890155 /nfs/dbraw/zinc/89/01/55/543890155.db2.gz VZIBDCNQQHEQPQ-CVEARBPZSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccnc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000683022707 543890158 /nfs/dbraw/zinc/89/01/58/543890158.db2.gz VZIBDCNQQHEQPQ-CVEARBPZSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccnc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000683022707 543890159 /nfs/dbraw/zinc/89/01/59/543890159.db2.gz VZIBDCNQQHEQPQ-CVEARBPZSA-N 2 1 287.451 3.133 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000683141752 543899017 /nfs/dbraw/zinc/89/90/17/543899017.db2.gz NVNQZGRDDFWJIR-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000683141752 543899018 /nfs/dbraw/zinc/89/90/18/543899018.db2.gz NVNQZGRDDFWJIR-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000683888807 543949790 /nfs/dbraw/zinc/94/97/90/543949790.db2.gz KXWGCBACJOVPFG-ULQDDVLXSA-N 2 1 294.483 3.046 20 0 CGADMP FC(F)C1CC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684799536 544031252 /nfs/dbraw/zinc/03/12/52/544031252.db2.gz MFUMRUCGHPVFIK-SSDMNJCBSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000685462826 544076316 /nfs/dbraw/zinc/07/63/16/544076316.db2.gz NWCUSFDJZZBNCH-HOCLYGCPSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CCCc2cccnc21)[NH+]1CCCCC1 ZINC000684961365 544046571 /nfs/dbraw/zinc/04/65/71/544046571.db2.gz IAHGTYZCYRAABI-WBVHZDCISA-N 2 1 287.451 3.313 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000652222411 418936883 /nfs/dbraw/zinc/93/68/83/418936883.db2.gz NXQDWHBZZUXBON-GOSISDBHSA-N 2 1 290.451 3.337 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000652222411 418936886 /nfs/dbraw/zinc/93/68/86/418936886.db2.gz NXQDWHBZZUXBON-GOSISDBHSA-N 2 1 290.451 3.337 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(C)n1 ZINC000652222599 418938995 /nfs/dbraw/zinc/93/89/95/418938995.db2.gz SNFCXYQWQCASPS-OAHLLOKOSA-N 2 1 277.456 3.327 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(C)n1 ZINC000652222599 418938997 /nfs/dbraw/zinc/93/89/97/418938997.db2.gz SNFCXYQWQCASPS-OAHLLOKOSA-N 2 1 277.456 3.327 20 0 CGADMP CC[C@H](OCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000652236372 418939769 /nfs/dbraw/zinc/93/97/69/418939769.db2.gz KOAOGHKQHLJWOB-JQHSSLGASA-N 2 1 290.451 3.227 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(C)c1OC(F)F ZINC000653279596 419023549 /nfs/dbraw/zinc/02/35/49/419023549.db2.gz RURKSYZTISXSGP-TZMCWYRMSA-N 2 1 298.377 3.216 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000653556048 419046099 /nfs/dbraw/zinc/04/60/99/419046099.db2.gz KVLVCILAMLOXAF-HNNXBMFYSA-N 2 1 290.451 3.202 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000653556048 419046102 /nfs/dbraw/zinc/04/61/02/419046102.db2.gz KVLVCILAMLOXAF-HNNXBMFYSA-N 2 1 290.451 3.202 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000659977397 419049021 /nfs/dbraw/zinc/04/90/21/419049021.db2.gz XRJVCFCJWOENSC-KGLIPLIRSA-N 2 1 276.415 3.332 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C)oc2C)CC1 ZINC000659847910 419012340 /nfs/dbraw/zinc/01/23/40/419012340.db2.gz SKVWSWSXSKUJKF-UHFFFAOYSA-N 2 1 293.455 3.235 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCC2CCC2)CC1 ZINC000660158625 419089993 /nfs/dbraw/zinc/08/99/93/419089993.db2.gz NZMWAYGHFNENSW-UHFFFAOYSA-N 2 1 296.499 3.247 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(C)ccc1OC ZINC000665247477 419090003 /nfs/dbraw/zinc/09/00/03/419090003.db2.gz CMOWOVFPZXVFRD-OAHLLOKOSA-N 2 1 276.424 3.316 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000660167215 419092402 /nfs/dbraw/zinc/09/24/02/419092402.db2.gz MRKHYKUUVNRAOK-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000660167215 419092407 /nfs/dbraw/zinc/09/24/07/419092407.db2.gz MRKHYKUUVNRAOK-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000660167215 419092409 /nfs/dbraw/zinc/09/24/09/419092409.db2.gz MRKHYKUUVNRAOK-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1C ZINC000665252614 419093537 /nfs/dbraw/zinc/09/35/37/419093537.db2.gz UPTBDILKNYVUOU-IREHDKGXSA-N 2 1 272.436 3.156 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665256534 419094040 /nfs/dbraw/zinc/09/40/40/419094040.db2.gz DKGPVOOBDXGHBQ-DLTLXFJOSA-N 2 1 278.415 3.295 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCC(F)(F)CC1 ZINC000653872090 419100270 /nfs/dbraw/zinc/10/02/70/419100270.db2.gz OPHPXUNNXUFQBP-TZMCWYRMSA-N 2 1 274.399 3.274 20 0 CGADMP COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1C ZINC000665294023 419107204 /nfs/dbraw/zinc/10/72/04/419107204.db2.gz GYVPIYKNVSUKOP-IRXDYDNUSA-N 2 1 282.387 3.238 20 0 CGADMP CC(C)(C)CCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655708340 419072645 /nfs/dbraw/zinc/07/26/45/419072645.db2.gz HLXMNNNZHRQDLR-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655722714 419076797 /nfs/dbraw/zinc/07/67/97/419076797.db2.gz GHWQIEAYEXBEDH-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654771 419177339 /nfs/dbraw/zinc/17/73/39/419177339.db2.gz CRMBMKGRWDZOOZ-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654771 419177341 /nfs/dbraw/zinc/17/73/41/419177341.db2.gz CRMBMKGRWDZOOZ-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654771 419177343 /nfs/dbraw/zinc/17/73/43/419177343.db2.gz CRMBMKGRWDZOOZ-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656493815 419178105 /nfs/dbraw/zinc/17/81/05/419178105.db2.gz ZXZALPRMDZRGRV-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3ccccc3n1)C2 ZINC000660661154 419179819 /nfs/dbraw/zinc/17/98/19/419179819.db2.gz YZPIVIWIBRHTBJ-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3ccccc3n1)C2 ZINC000660661154 419179822 /nfs/dbraw/zinc/17/98/22/419179822.db2.gz YZPIVIWIBRHTBJ-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000660661154 419179824 /nfs/dbraw/zinc/17/98/24/419179824.db2.gz YZPIVIWIBRHTBJ-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000660661154 419179826 /nfs/dbraw/zinc/17/98/26/419179826.db2.gz YZPIVIWIBRHTBJ-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000666083553 419188082 /nfs/dbraw/zinc/18/80/82/419188082.db2.gz ODGBEAWXXMXRLS-YOEHRIQHSA-N 2 1 292.854 3.127 20 0 CGADMP CC(C)(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CC1 ZINC000655936668 419127810 /nfs/dbraw/zinc/12/78/10/419127810.db2.gz KNSLZDJQJLJYEE-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c2cccnc12)CC(C)(C)[NH3+] ZINC000656781964 419218065 /nfs/dbraw/zinc/21/80/65/419218065.db2.gz AZCKQYJTLYHPJG-UHFFFAOYSA-N 2 1 277.799 3.057 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c2cccnc12)CC(C)(C)[NH3+] ZINC000656781964 419218068 /nfs/dbraw/zinc/21/80/68/419218068.db2.gz AZCKQYJTLYHPJG-UHFFFAOYSA-N 2 1 277.799 3.057 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccn1 ZINC000656782347 419218106 /nfs/dbraw/zinc/21/81/06/419218106.db2.gz FGZYJQNBUWDVCY-HHXXYDBFSA-N 2 1 295.430 3.268 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+]CC2([NH3+])CCCC2)s1 ZINC000656788483 419219711 /nfs/dbraw/zinc/21/97/11/419219711.db2.gz RHTVXSWOUMGOBX-UHFFFAOYSA-N 2 1 266.454 3.407 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788170 419219987 /nfs/dbraw/zinc/21/99/87/419219987.db2.gz FVIZRSXPHUSNPV-UHFFFAOYSA-N 2 1 284.403 3.210 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2C2CC2)C1 ZINC000657182863 419229400 /nfs/dbraw/zinc/22/94/00/419229400.db2.gz SQZZOOBPJKCGNP-OAHLLOKOSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[C@H]1C ZINC000657677197 419327170 /nfs/dbraw/zinc/32/71/70/419327170.db2.gz AHPPFGBEGVZULS-NYTXWWLZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1C[C@H]1C ZINC000657677197 419327171 /nfs/dbraw/zinc/32/71/71/419327171.db2.gz AHPPFGBEGVZULS-NYTXWWLZSA-N 2 1 250.430 3.028 20 0 CGADMP C[NH+](C)CC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000336033062 228180180 /nfs/dbraw/zinc/18/01/80/228180180.db2.gz NDVBOVHSEHFKOE-UHFFFAOYSA-N 2 1 275.421 3.074 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662157945 419348237 /nfs/dbraw/zinc/34/82/37/419348237.db2.gz QYGIVBQFUZIYOX-MRXNPFEDSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662157945 419348238 /nfs/dbraw/zinc/34/82/38/419348238.db2.gz QYGIVBQFUZIYOX-MRXNPFEDSA-N 2 1 275.440 3.397 20 0 CGADMP CCCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000662208361 419361870 /nfs/dbraw/zinc/36/18/70/419361870.db2.gz VQMBCSGFFKTNBT-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCc2ccccc21 ZINC000662321789 419389861 /nfs/dbraw/zinc/38/98/61/419389861.db2.gz JFOWZVVJKYESPH-SFHVURJKSA-N 2 1 286.463 3.428 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657886909 419407614 /nfs/dbraw/zinc/40/76/14/419407614.db2.gz FYDNOSAAMWTKFJ-ZDUSSCGKSA-N 2 1 298.390 3.464 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657891627 419412095 /nfs/dbraw/zinc/41/20/95/419412095.db2.gz TWULZJDABRBNLM-OBJOEFQTSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657891627 419412107 /nfs/dbraw/zinc/41/21/07/419412107.db2.gz TWULZJDABRBNLM-OBJOEFQTSA-N 2 1 289.448 3.430 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCSc1cccc(Cl)c1 ZINC000662247817 419373111 /nfs/dbraw/zinc/37/31/11/419373111.db2.gz LQXQOELVUOEARH-CQSZACIVSA-N 2 1 286.872 3.395 20 0 CGADMP CCC[N@@H+](C[C@H](OC)C1CCCCC1)C1CC[NH2+]CC1 ZINC000662264976 419377451 /nfs/dbraw/zinc/37/74/51/419377451.db2.gz SUCNTJRUICWKFB-KRWDZBQOSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCSCC1)C1CCCCC1 ZINC000657839549 419380834 /nfs/dbraw/zinc/38/08/34/419380834.db2.gz BSEFWNLDBLYMCA-CVEARBPZSA-N 2 1 284.513 3.372 20 0 CGADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273032 419381919 /nfs/dbraw/zinc/38/19/19/419381919.db2.gz JSOGCDCWNGAZCX-CWQOZTLDSA-N 2 1 276.468 3.134 20 0 CGADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662275467 419383066 /nfs/dbraw/zinc/38/30/66/419383066.db2.gz CZQWPRVFMYXJSQ-FGTMMUONSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000662283151 419386086 /nfs/dbraw/zinc/38/60/86/419386086.db2.gz LVQNYKQXWCJEBS-CHWSQXEVSA-N 2 1 274.399 3.132 20 0 CGADMP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347241 419567229 /nfs/dbraw/zinc/56/72/29/419567229.db2.gz HVCSDMCEZLRSSX-RRGNZLCHSA-N 2 1 284.447 3.411 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000663498220 419634752 /nfs/dbraw/zinc/63/47/52/419634752.db2.gz MXWKBILWGUACKR-OAHLLOKOSA-N 2 1 289.448 3.273 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)CC(F)(F)F ZINC000663357979 419575429 /nfs/dbraw/zinc/57/54/29/419575429.db2.gz KRCWBVRSZXUHRT-UHFFFAOYSA-N 2 1 289.345 3.216 20 0 CGADMP C[C@H](CNc1[nH+]ccc2[nH]ccc21)[N@H+]1CCC[C@H](C)C1 ZINC000663389958 419587381 /nfs/dbraw/zinc/58/73/81/419587381.db2.gz ZZKYWDPIWPAMBW-QWHCGFSZSA-N 2 1 272.396 3.095 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)CC)[C@H](C)C1 ZINC000658120883 419598760 /nfs/dbraw/zinc/59/87/60/419598760.db2.gz MKBXVCVAHJRLCP-ZACQAIPSSA-N 2 1 284.488 3.149 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468819 419618572 /nfs/dbraw/zinc/61/85/72/419618572.db2.gz MWOYJXXHMAEHIK-HZPDHXFCSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468857 419622184 /nfs/dbraw/zinc/62/21/84/419622184.db2.gz NBSWXPPKSVWXNQ-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469526 419625021 /nfs/dbraw/zinc/62/50/21/419625021.db2.gz QCFMYRIELZWCEJ-RHSMWYFYSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCC2)[C@H]2CCC[C@H]21 ZINC000658224336 419680387 /nfs/dbraw/zinc/68/03/87/419680387.db2.gz SOWKFUPNXCZZQD-OWCLPIDISA-N 2 1 250.430 3.029 20 0 CGADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228779 419685529 /nfs/dbraw/zinc/68/55/29/419685529.db2.gz MLCIWLSADJPASU-DIECFANBSA-N 2 1 262.441 3.172 20 0 CGADMP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228779 419685530 /nfs/dbraw/zinc/68/55/30/419685530.db2.gz MLCIWLSADJPASU-DIECFANBSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000075760855 260166106 /nfs/dbraw/zinc/16/61/06/260166106.db2.gz SXPNKYGEIUJBHF-UHFFFAOYSA-N 2 1 264.388 3.036 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000322467939 261291964 /nfs/dbraw/zinc/29/19/64/261291964.db2.gz NNZWWZQJJXSQRL-XJKSGUPXSA-N 2 1 250.430 3.029 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044534828 270036303 /nfs/dbraw/zinc/03/63/03/270036303.db2.gz SHAGQVUDTPNONF-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535379 270036412 /nfs/dbraw/zinc/03/64/12/270036412.db2.gz CEODWPWPNURTDA-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044534826 270036868 /nfs/dbraw/zinc/03/68/68/270036868.db2.gz SHAGQVUDTPNONF-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CC1 ZINC000092820922 270044243 /nfs/dbraw/zinc/04/42/43/270044243.db2.gz KMDPBEOBCZECNW-UHFFFAOYSA-N 2 1 273.424 3.030 20 0 CGADMP C1C[C@@H]2C[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)CC[N@H+]2C1 ZINC000106868894 270049437 /nfs/dbraw/zinc/04/94/37/270049437.db2.gz VJOLCHNHPKZXQB-RFIAZXKJSA-N 2 1 274.452 3.028 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cccnc2)CC1 ZINC000172166328 270053191 /nfs/dbraw/zinc/05/31/91/270053191.db2.gz NYIGIWBTXAGRMF-UHFFFAOYSA-N 2 1 289.467 3.068 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+](C)CCCc1c[nH+]cn1C ZINC000519177258 265353393 /nfs/dbraw/zinc/35/33/93/265353393.db2.gz YQDSMUVTDFSZLD-ZDUSSCGKSA-N 2 1 275.371 3.185 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000519177258 265353396 /nfs/dbraw/zinc/35/33/96/265353396.db2.gz YQDSMUVTDFSZLD-ZDUSSCGKSA-N 2 1 275.371 3.185 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CCSCC1 ZINC000187262061 270068087 /nfs/dbraw/zinc/06/80/87/270068087.db2.gz SWWPHZLLMOROML-PBHICJAKSA-N 2 1 296.524 3.372 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCSCC1 ZINC000187262061 270068088 /nfs/dbraw/zinc/06/80/88/270068088.db2.gz SWWPHZLLMOROML-PBHICJAKSA-N 2 1 296.524 3.372 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCC1 ZINC000527524123 270128365 /nfs/dbraw/zinc/12/83/65/270128365.db2.gz NGCOWKNIKLPDMT-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCC1 ZINC000527524123 270128366 /nfs/dbraw/zinc/12/83/66/270128366.db2.gz NGCOWKNIKLPDMT-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@H]1CC12CC2 ZINC000527841942 270138892 /nfs/dbraw/zinc/13/88/92/270138892.db2.gz HFTUUGKVPVDYME-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528768606 270172064 /nfs/dbraw/zinc/17/20/64/270172064.db2.gz LXTMSPSIXUERMA-GFCCVEGCSA-N 2 1 271.355 3.091 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528768606 270172065 /nfs/dbraw/zinc/17/20/65/270172065.db2.gz LXTMSPSIXUERMA-GFCCVEGCSA-N 2 1 271.355 3.091 20 0 CGADMP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530222051 270196466 /nfs/dbraw/zinc/19/64/66/270196466.db2.gz QBSJCSZPOWCSHW-SJORKVTESA-N 2 1 270.420 3.328 20 0 CGADMP c1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530224271 270196698 /nfs/dbraw/zinc/19/66/98/270196698.db2.gz VWLFMZAXTQAJEK-JKSUJKDBSA-N 2 1 256.393 3.012 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000530513224 270200567 /nfs/dbraw/zinc/20/05/67/270200567.db2.gz UFWVQKQZTRMOMZ-DLBZAZTESA-N 2 1 287.382 3.028 20 0 CGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517586 270200757 /nfs/dbraw/zinc/20/07/57/270200757.db2.gz DEGXIAXWMAGFKY-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517586 270200758 /nfs/dbraw/zinc/20/07/58/270200758.db2.gz DEGXIAXWMAGFKY-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517586 270200759 /nfs/dbraw/zinc/20/07/59/270200759.db2.gz DEGXIAXWMAGFKY-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2)C[C@H]1C ZINC000531378659 270206251 /nfs/dbraw/zinc/20/62/51/270206251.db2.gz WHMFKEKADTUYJO-SJLPKXTDSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000532508781 270216660 /nfs/dbraw/zinc/21/66/60/270216660.db2.gz HTMVDENZUNUGQU-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000532565330 270217492 /nfs/dbraw/zinc/21/74/92/270217492.db2.gz AOGKKOMGFDVTCC-ZBFHGGJFSA-N 2 1 269.392 3.493 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309949 270223090 /nfs/dbraw/zinc/22/30/90/270223090.db2.gz LAYIEXDTEFEXGE-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309949 270223091 /nfs/dbraw/zinc/22/30/91/270223091.db2.gz LAYIEXDTEFEXGE-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309949 270223092 /nfs/dbraw/zinc/22/30/92/270223092.db2.gz LAYIEXDTEFEXGE-SJLPKXTDSA-N 2 1 274.452 3.342 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423470252 273750271 /nfs/dbraw/zinc/75/02/71/273750271.db2.gz PCAIMMAYYZTFGW-RDJZCZTQSA-N 2 1 288.435 3.106 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000453238717 274334948 /nfs/dbraw/zinc/33/49/48/274334948.db2.gz AIXOIQLGYXIRAC-HFTRVMKXSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000085098376 287788306 /nfs/dbraw/zinc/78/83/06/287788306.db2.gz TVFDJDOJGFGGRQ-IOASZLSFSA-N 2 1 250.430 3.028 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]12 ZINC000261776286 274959640 /nfs/dbraw/zinc/95/96/40/274959640.db2.gz PDXMGNDEUIJCGE-ZLKJLUDKSA-N 2 1 287.794 3.062 20 0 CGADMP CCC[C@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000469988246 276042147 /nfs/dbraw/zinc/04/21/47/276042147.db2.gz AYOZHHLSSSWJEC-MRXNPFEDSA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c1 ZINC000297598618 276076343 /nfs/dbraw/zinc/07/63/43/276076343.db2.gz HXWFPVHTBVDPJQ-YOEHRIQHSA-N 2 1 298.434 3.130 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c1 ZINC000297598618 276076345 /nfs/dbraw/zinc/07/63/45/276076345.db2.gz HXWFPVHTBVDPJQ-YOEHRIQHSA-N 2 1 298.434 3.130 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000344818251 276109301 /nfs/dbraw/zinc/10/93/01/276109301.db2.gz LCNXFKOHSOIPOW-GDBMZVCRSA-N 2 1 295.496 3.442 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCC[C@H]1C ZINC000444660668 276134359 /nfs/dbraw/zinc/13/43/59/276134359.db2.gz KEHLEIHEYSBAIT-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@H]1C ZINC000444660668 276134360 /nfs/dbraw/zinc/13/43/60/276134360.db2.gz KEHLEIHEYSBAIT-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCC[C@H]1C ZINC000444660668 276134361 /nfs/dbraw/zinc/13/43/61/276134361.db2.gz KEHLEIHEYSBAIT-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459775372 276152124 /nfs/dbraw/zinc/15/21/24/276152124.db2.gz WQROSMZBJRBCFJ-GJZGRUSLSA-N 2 1 282.472 3.043 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000514094946 276225430 /nfs/dbraw/zinc/22/54/30/276225430.db2.gz NFDQANKKZPNKAC-ILXRZTDVSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000514094946 276225431 /nfs/dbraw/zinc/22/54/31/276225431.db2.gz NFDQANKKZPNKAC-ILXRZTDVSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000514094946 276225432 /nfs/dbraw/zinc/22/54/32/276225432.db2.gz NFDQANKKZPNKAC-ILXRZTDVSA-N 2 1 288.426 3.474 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C12CCC2 ZINC000422783232 276354386 /nfs/dbraw/zinc/35/43/86/276354386.db2.gz NVQWUFYPLHEMHD-VVLHAWIVSA-N 2 1 286.419 3.069 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453074433 276360430 /nfs/dbraw/zinc/36/04/30/276360430.db2.gz GJXJEPLEYYUZDC-INIZCTEOSA-N 2 1 250.430 3.029 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000125298528 276398812 /nfs/dbraw/zinc/39/88/12/276398812.db2.gz FQEXQGKETLWJOH-RRFJBIMHSA-N 2 1 270.486 3.077 20 0 CGADMP CCS[C@@H]1CC[C@@H]([NH+](C)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125298528 276398814 /nfs/dbraw/zinc/39/88/14/276398814.db2.gz FQEXQGKETLWJOH-RRFJBIMHSA-N 2 1 270.486 3.077 20 0 CGADMP CCS[C@@H]1CC[C@@H]([NH+](C)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125298528 276398815 /nfs/dbraw/zinc/39/88/15/276398815.db2.gz FQEXQGKETLWJOH-RRFJBIMHSA-N 2 1 270.486 3.077 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000338189937 276833000 /nfs/dbraw/zinc/83/30/00/276833000.db2.gz PLPTWBYHSQMQEK-XHBSWPGZSA-N 2 1 294.389 3.415 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@]2(CCSC2)C1 ZINC000334627023 277044384 /nfs/dbraw/zinc/04/43/84/277044384.db2.gz OGOYEDPTGKRHEW-HZPDHXFCSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000334627023 277044385 /nfs/dbraw/zinc/04/43/85/277044385.db2.gz OGOYEDPTGKRHEW-HZPDHXFCSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000334627023 277044386 /nfs/dbraw/zinc/04/43/86/277044386.db2.gz OGOYEDPTGKRHEW-HZPDHXFCSA-N 2 1 282.497 3.080 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000414178073 277053408 /nfs/dbraw/zinc/05/34/08/277053408.db2.gz KCZILQXNZWGFBC-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000459797433 277053465 /nfs/dbraw/zinc/05/34/65/277053465.db2.gz WQGOQSHKBPKQHR-GUYCJALGSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000503052108 277062024 /nfs/dbraw/zinc/06/20/24/277062024.db2.gz JRZWHNJEGAAABS-AEFFLSMTSA-N 2 1 272.436 3.312 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000336809104 277078370 /nfs/dbraw/zinc/07/83/70/277078370.db2.gz TXJPSJMDNGQOTR-NWDGAFQWSA-N 2 1 278.362 3.134 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000336809104 277078372 /nfs/dbraw/zinc/07/83/72/277078372.db2.gz TXJPSJMDNGQOTR-NWDGAFQWSA-N 2 1 278.362 3.134 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000336809104 277078374 /nfs/dbraw/zinc/07/83/74/277078374.db2.gz TXJPSJMDNGQOTR-NWDGAFQWSA-N 2 1 278.362 3.134 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2OC(C)(C)C1 ZINC000344116780 277078847 /nfs/dbraw/zinc/07/88/47/277078847.db2.gz NKTSKVYLMXDTBD-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2OC(C)(C)C1 ZINC000344116780 277078848 /nfs/dbraw/zinc/07/88/48/277078848.db2.gz NKTSKVYLMXDTBD-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344116780 277078849 /nfs/dbraw/zinc/07/88/49/277078849.db2.gz NKTSKVYLMXDTBD-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344116780 277078850 /nfs/dbraw/zinc/07/88/50/277078850.db2.gz NKTSKVYLMXDTBD-INIZCTEOSA-N 2 1 288.435 3.144 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H]2CCC[C@H]21 ZINC000423436694 277172266 /nfs/dbraw/zinc/17/22/66/277172266.db2.gz FPQJZIDHJHHKNR-YTQUADARSA-N 2 1 299.462 3.007 20 0 CGADMP COC(C)(C)[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000340186547 277178222 /nfs/dbraw/zinc/17/82/22/277178222.db2.gz SGRASFZPCKBQHY-CABCVRRESA-N 2 1 270.461 3.044 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1=CCCC1 ZINC000308767065 277303044 /nfs/dbraw/zinc/30/30/44/277303044.db2.gz GAOWNEWIZWZQNJ-HZPDHXFCSA-N 2 1 262.441 3.339 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCOC3(CCC3)C2)([NH+](C)C)C1 ZINC000094369086 277714264 /nfs/dbraw/zinc/71/42/64/277714264.db2.gz PCRSUIGSAZZUOA-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423326410 278058044 /nfs/dbraw/zinc/05/80/44/278058044.db2.gz MFEBEDAWATVDIY-INIZCTEOSA-N 2 1 288.435 3.495 20 0 CGADMP CC/C=C/CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366880972 278164121 /nfs/dbraw/zinc/16/41/21/278164121.db2.gz JDVVBCVVCZOHHT-SNAWJCMRSA-N 2 1 250.430 3.151 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226130921 278168357 /nfs/dbraw/zinc/16/83/57/278168357.db2.gz PDOMFWBIWYDDLJ-GRYCIOLGSA-N 2 1 266.351 3.180 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226130921 278168358 /nfs/dbraw/zinc/16/83/58/278168358.db2.gz PDOMFWBIWYDDLJ-GRYCIOLGSA-N 2 1 266.351 3.180 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414938417 278184196 /nfs/dbraw/zinc/18/41/96/278184196.db2.gz YJZDGWJATFZASG-SWHYSGLUSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000397258910 288022150 /nfs/dbraw/zinc/02/21/50/288022150.db2.gz JHEJDPZSKOSZAL-JMSVASOKSA-N 2 1 282.378 3.429 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000397287182 288022574 /nfs/dbraw/zinc/02/25/74/288022574.db2.gz VCFQPDSKNBXRPM-JKIFEVAISA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000397343087 288023092 /nfs/dbraw/zinc/02/30/92/288023092.db2.gz QZESARSTDVILIZ-JHJVBQTASA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000397343087 288023093 /nfs/dbraw/zinc/02/30/93/288023093.db2.gz QZESARSTDVILIZ-JHJVBQTASA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000397399691 288023290 /nfs/dbraw/zinc/02/32/90/288023290.db2.gz MKSDGFKFZVHBOF-DYEKYZERSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000397399691 288023293 /nfs/dbraw/zinc/02/32/93/288023293.db2.gz MKSDGFKFZVHBOF-DYEKYZERSA-N 2 1 298.377 3.093 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000079977022 278228302 /nfs/dbraw/zinc/22/83/02/278228302.db2.gz YWQZMQHUVKKUST-CQSZACIVSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000397637633 288025993 /nfs/dbraw/zinc/02/59/93/288025993.db2.gz QCONEZODXKJTSK-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCCCCC1 ZINC000423496172 278268803 /nfs/dbraw/zinc/26/88/03/278268803.db2.gz DNMGZSPOKGYKOK-BBRMVZONSA-N 2 1 252.446 3.452 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC1(C)C ZINC000397759795 288029510 /nfs/dbraw/zinc/02/95/10/288029510.db2.gz KTWGXYNHRBBDDG-HZPDHXFCSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cncc(F)c1 ZINC000246939048 278345497 /nfs/dbraw/zinc/34/54/97/278345497.db2.gz HMVPRTFFKNHCSU-RBSFLKMASA-N 2 1 293.430 3.239 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000422689271 278364844 /nfs/dbraw/zinc/36/48/44/278364844.db2.gz FAQUWIMFJJCDAQ-FRRDWIJNSA-N 2 1 266.816 3.379 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423005775 278386231 /nfs/dbraw/zinc/38/62/31/278386231.db2.gz SSNKYDSBUUGISR-OMNBBPDLSA-N 2 1 258.409 3.355 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2CCc2ccc(Cl)cc2)CC1 ZINC000459514308 288095655 /nfs/dbraw/zinc/09/56/55/288095655.db2.gz OSYIFVOGAKMOKS-UHFFFAOYSA-N 2 1 292.854 3.443 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000338382574 279093044 /nfs/dbraw/zinc/09/30/44/279093044.db2.gz XKRRIYVCTGORMN-UHFFFAOYSA-N 2 1 274.452 3.382 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000292535751 279100377 /nfs/dbraw/zinc/10/03/77/279100377.db2.gz XIQZMJGKZVBDQH-CJNGLKHVSA-N 2 1 296.480 3.072 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccncn1 ZINC000453129055 279123460 /nfs/dbraw/zinc/12/34/60/279123460.db2.gz NIVGPMOEVZXPIQ-HLLBOEOZSA-N 2 1 290.455 3.028 20 0 CGADMP CC(C)C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000414779779 279143200 /nfs/dbraw/zinc/14/32/00/279143200.db2.gz ARFLCRVXLIROIT-KURKYZTESA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000414779779 279143202 /nfs/dbraw/zinc/14/32/02/279143202.db2.gz ARFLCRVXLIROIT-KURKYZTESA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000414670330 279178956 /nfs/dbraw/zinc/17/89/56/279178956.db2.gz MCFUAQRVRCVIOH-IRXDYDNUSA-N 2 1 275.440 3.372 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000414670330 279178958 /nfs/dbraw/zinc/17/89/58/279178958.db2.gz MCFUAQRVRCVIOH-IRXDYDNUSA-N 2 1 275.440 3.372 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CCC2 ZINC000490227002 288117590 /nfs/dbraw/zinc/11/75/90/288117590.db2.gz JYNQIIKUJIKFHL-QGTPRVQTSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CCC2 ZINC000490227002 288117592 /nfs/dbraw/zinc/11/75/92/288117592.db2.gz JYNQIIKUJIKFHL-QGTPRVQTSA-N 2 1 272.436 3.302 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000346451446 279349176 /nfs/dbraw/zinc/34/91/76/279349176.db2.gz FVPLDAXHAPRGCF-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000346451446 279349177 /nfs/dbraw/zinc/34/91/77/279349177.db2.gz FVPLDAXHAPRGCF-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000353562970 279371715 /nfs/dbraw/zinc/37/17/15/279371715.db2.gz CYLZSDBUVXWOQX-PNESKVBLSA-N 2 1 262.388 3.129 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000353562970 279371717 /nfs/dbraw/zinc/37/17/17/279371717.db2.gz CYLZSDBUVXWOQX-PNESKVBLSA-N 2 1 262.388 3.129 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1c[nH+]ccc1N ZINC000422841541 279479997 /nfs/dbraw/zinc/47/99/97/279479997.db2.gz WJASXTLRZJHCJO-SJCJKPOMSA-N 2 1 299.443 3.175 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(F)ccc1F ZINC000425938504 279905815 /nfs/dbraw/zinc/90/58/15/279905815.db2.gz XLDNDHUHHFKAGY-MLGOLLRUSA-N 2 1 284.394 3.449 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247119932 280045298 /nfs/dbraw/zinc/04/52/98/280045298.db2.gz PQJAOBVKHIWQPU-ZQDZILKHSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247119932 280045300 /nfs/dbraw/zinc/04/53/00/280045300.db2.gz PQJAOBVKHIWQPU-ZQDZILKHSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163119184 280047069 /nfs/dbraw/zinc/04/70/69/280047069.db2.gz PQJAOBVKHIWQPU-KBUPBQIOSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163119184 280047071 /nfs/dbraw/zinc/04/70/71/280047071.db2.gz PQJAOBVKHIWQPU-KBUPBQIOSA-N 2 1 270.486 3.123 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459743110 280287393 /nfs/dbraw/zinc/28/73/93/280287393.db2.gz WESIWNPGUHTVAC-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427121814 280376774 /nfs/dbraw/zinc/37/67/74/280376774.db2.gz LVTYHBLAOYFJCJ-UKRRQHHQSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)CC3 ZINC000414936409 281036537 /nfs/dbraw/zinc/03/65/37/281036537.db2.gz CTAIVKPRJJQSAL-VBQJREDUSA-N 2 1 297.446 3.064 20 0 CGADMP CCC[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)OCC ZINC000530210965 288300394 /nfs/dbraw/zinc/30/03/94/288300394.db2.gz KRQZDEOJXNSBKH-KURKYZTESA-N 2 1 290.451 3.275 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CO2 ZINC000514667658 281125325 /nfs/dbraw/zinc/12/53/25/281125325.db2.gz HRIFTAXCDUZHSA-BFYDXBDKSA-N 2 1 288.435 3.329 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407418 288305252 /nfs/dbraw/zinc/30/52/52/288305252.db2.gz GILCMGXVOPNBKY-KGLIPLIRSA-N 2 1 251.418 3.013 20 0 CGADMP Cc1cccc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000302233206 281226523 /nfs/dbraw/zinc/22/65/23/281226523.db2.gz FRXKXZLWAURIIB-IAGOWNOFSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cccc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000302233206 281226525 /nfs/dbraw/zinc/22/65/25/281226525.db2.gz FRXKXZLWAURIIB-IAGOWNOFSA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000152651299 281303646 /nfs/dbraw/zinc/30/36/46/281303646.db2.gz BAGCEMFGRXPNLX-CJNGLKHVSA-N 2 1 258.409 3.227 20 0 CGADMP CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459583590 281307160 /nfs/dbraw/zinc/30/71/60/281307160.db2.gz HFNJWGXDVXSOMP-HZPDHXFCSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000531339965 288334471 /nfs/dbraw/zinc/33/44/71/288334471.db2.gz KPNQJENZZQAFQL-ZXYDQQDNSA-N 2 1 284.447 3.364 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000531339965 288334472 /nfs/dbraw/zinc/33/44/72/288334472.db2.gz KPNQJENZZQAFQL-ZXYDQQDNSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000531339965 288334474 /nfs/dbraw/zinc/33/44/74/288334474.db2.gz KPNQJENZZQAFQL-ZXYDQQDNSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000531339965 288334476 /nfs/dbraw/zinc/33/44/76/288334476.db2.gz KPNQJENZZQAFQL-ZXYDQQDNSA-N 2 1 284.447 3.364 20 0 CGADMP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423091767 292681092 /nfs/dbraw/zinc/68/10/92/292681092.db2.gz YSGVJBBDQQRIJG-FZMZJTMJSA-N 2 1 286.341 3.186 20 0 CGADMP Cc1ccccc1CCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549839885 289055636 /nfs/dbraw/zinc/05/56/36/289055636.db2.gz BKHJTDAQAZZJKF-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000550621116 289079170 /nfs/dbraw/zinc/07/91/70/289079170.db2.gz CLKWRFZJIMSLMC-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP CC(C)=CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551176800 289100791 /nfs/dbraw/zinc/10/07/91/289100791.db2.gz FVDMZILAUQAXBK-IRXDYDNUSA-N 2 1 258.409 3.378 20 0 CGADMP CC(C)=CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551176800 289100792 /nfs/dbraw/zinc/10/07/92/289100792.db2.gz FVDMZILAUQAXBK-IRXDYDNUSA-N 2 1 258.409 3.378 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551309492 289110748 /nfs/dbraw/zinc/11/07/48/289110748.db2.gz UWXHHIHWECVUMS-XOYOTBSWSA-N 2 1 290.426 3.377 20 0 CGADMP CC(C)C(C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C(C)C ZINC000551557957 289122276 /nfs/dbraw/zinc/12/22/76/289122276.db2.gz DHGMJPSJFPKVIK-HNNXBMFYSA-N 2 1 254.462 3.188 20 0 CGADMP CC(C)C(C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000551557957 289122277 /nfs/dbraw/zinc/12/22/77/289122277.db2.gz DHGMJPSJFPKVIK-HNNXBMFYSA-N 2 1 254.462 3.188 20 0 CGADMP CC(C)C(C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000551557957 289122279 /nfs/dbraw/zinc/12/22/79/289122279.db2.gz DHGMJPSJFPKVIK-HNNXBMFYSA-N 2 1 254.462 3.188 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000551789488 289132893 /nfs/dbraw/zinc/13/28/93/289132893.db2.gz OQAAOKNGWHOCKM-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000551789488 289132897 /nfs/dbraw/zinc/13/28/97/289132897.db2.gz OQAAOKNGWHOCKM-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000552049574 289155051 /nfs/dbraw/zinc/15/50/51/289155051.db2.gz YAZOBWCLBIPUHJ-QRVBRYPASA-N 2 1 286.463 3.254 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1(C)C ZINC000552067034 289158179 /nfs/dbraw/zinc/15/81/79/289158179.db2.gz YZMARPZGEFSZSZ-BQJWPVKWSA-N 2 1 294.483 3.041 20 0 CGADMP C[C@@]1(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC[NH2+]C1 ZINC000261716682 289164912 /nfs/dbraw/zinc/16/49/12/289164912.db2.gz FFOAYXDBFPBEKS-CHWSQXEVSA-N 2 1 290.373 3.041 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000552281253 289177845 /nfs/dbraw/zinc/17/78/45/289177845.db2.gz NWQZOQJOBAOPSK-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccnc4ccccc34)C2)C1 ZINC000552357889 289183155 /nfs/dbraw/zinc/18/31/55/289183155.db2.gz XEOPZWOZNIVUIE-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccnc4ccccc34)C2)C1 ZINC000552357889 289183157 /nfs/dbraw/zinc/18/31/57/289183157.db2.gz XEOPZWOZNIVUIE-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccnc4ccccc34)C2)C1 ZINC000552357889 289183158 /nfs/dbraw/zinc/18/31/58/289183158.db2.gz XEOPZWOZNIVUIE-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000342588278 290003080 /nfs/dbraw/zinc/00/30/80/290003080.db2.gz CUTLZSFYWVWPIY-OFQRWUPVSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594342 290229352 /nfs/dbraw/zinc/22/93/52/290229352.db2.gz NMFHKSIEOGHVNM-JDTTZNEISA-N 2 1 282.790 3.209 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594342 290229354 /nfs/dbraw/zinc/22/93/54/290229354.db2.gz NMFHKSIEOGHVNM-JDTTZNEISA-N 2 1 282.790 3.209 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253193871 290247460 /nfs/dbraw/zinc/24/74/60/290247460.db2.gz PEFDWVFSWCRNBI-YRGRVCCFSA-N 2 1 266.816 3.318 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](CC3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC000488790208 290288485 /nfs/dbraw/zinc/28/84/85/290288485.db2.gz BRGBJSCERDNMAU-HPZPOOBXSA-N 2 1 278.484 3.332 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC000488790208 290288488 /nfs/dbraw/zinc/28/84/88/290288488.db2.gz BRGBJSCERDNMAU-HPZPOOBXSA-N 2 1 278.484 3.332 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC000488790208 290288491 /nfs/dbraw/zinc/28/84/91/290288491.db2.gz BRGBJSCERDNMAU-HPZPOOBXSA-N 2 1 278.484 3.332 20 0 CGADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000181922615 294751806 /nfs/dbraw/zinc/75/18/06/294751806.db2.gz NSGJRUBIPBHPBV-MRXNPFEDSA-N 2 1 292.398 3.115 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036961220 295109216 /nfs/dbraw/zinc/10/92/16/295109216.db2.gz QTNBSNOMEBKZGT-HNSVSWJLSA-N 2 1 288.435 3.279 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036961220 295109219 /nfs/dbraw/zinc/10/92/19/295109219.db2.gz QTNBSNOMEBKZGT-HNSVSWJLSA-N 2 1 288.435 3.279 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414708381 297313803 /nfs/dbraw/zinc/31/38/03/297313803.db2.gz ZURXMCPKXAGWLR-DGXTUMSLSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCCO2 ZINC000335568134 301284644 /nfs/dbraw/zinc/28/46/44/301284644.db2.gz ONMINYJHQKLOQM-OAHLLOKOSA-N 2 1 294.826 3.204 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423242360 301560432 /nfs/dbraw/zinc/56/04/32/301560432.db2.gz VMUJIVMSFSISQO-HOCLYGCPSA-N 2 1 258.409 3.022 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435902 302118960 /nfs/dbraw/zinc/11/89/60/302118960.db2.gz GKBFOROOKTULAH-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339435902 302118962 /nfs/dbraw/zinc/11/89/62/302118962.db2.gz GKBFOROOKTULAH-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339435902 302118965 /nfs/dbraw/zinc/11/89/65/302118965.db2.gz GKBFOROOKTULAH-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000285952634 302281511 /nfs/dbraw/zinc/28/15/11/302281511.db2.gz FALOSYKUQHHXNO-OAHLLOKOSA-N 2 1 275.440 3.163 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000186796723 327702555 /nfs/dbraw/zinc/70/25/55/327702555.db2.gz QTFPHGHVVVUEEU-FSPWUOQZSA-N 2 1 299.418 3.135 20 0 CGADMP CCCC[C@@H](C)[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000582145429 328301607 /nfs/dbraw/zinc/30/16/07/328301607.db2.gz HFODHEGKPZZRLD-SJORKVTESA-N 2 1 297.531 3.064 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCCC1 ZINC000168352447 321910799 /nfs/dbraw/zinc/91/07/99/321910799.db2.gz ZVGVBVIAIVBZOC-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CCCc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401877960 321969297 /nfs/dbraw/zinc/96/92/97/321969297.db2.gz OTTVDWNWMWAPBG-AWEZNQCLSA-N 2 1 271.408 3.266 20 0 CGADMP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)[N@@H+]1CCCC[C@@H]1C ZINC000564529350 322033297 /nfs/dbraw/zinc/03/32/97/322033297.db2.gz OMYKIGPDSKNDAB-HOTGVXAUSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)[N@H+]1CCCC[C@@H]1C ZINC000564529350 322033299 /nfs/dbraw/zinc/03/32/99/322033299.db2.gz OMYKIGPDSKNDAB-HOTGVXAUSA-N 2 1 286.463 3.254 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000564822726 322044979 /nfs/dbraw/zinc/04/49/79/322044979.db2.gz MQVWFEXVTAPXBR-GFCCVEGCSA-N 2 1 277.437 3.335 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000564973567 322052318 /nfs/dbraw/zinc/05/23/18/322052318.db2.gz LSDAUTQGUVAPMG-ROUUACIJSA-N 2 1 292.442 3.324 20 0 CGADMP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000565157396 322062957 /nfs/dbraw/zinc/06/29/57/322062957.db2.gz NDUGPXLRUNBWJA-VQIMIIECSA-N 2 1 297.446 3.478 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000565157396 322062960 /nfs/dbraw/zinc/06/29/60/322062960.db2.gz NDUGPXLRUNBWJA-VQIMIIECSA-N 2 1 297.446 3.478 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000565159548 322063342 /nfs/dbraw/zinc/06/33/42/322063342.db2.gz ZMKARLAUSIDKLN-STQMWFEESA-N 2 1 283.366 3.035 20 0 CGADMP Cn1cncc1CCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000565163835 322063756 /nfs/dbraw/zinc/06/37/56/322063756.db2.gz MQRXZVRBWUAXGU-UHFFFAOYSA-N 2 1 287.407 3.391 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000565163835 322063759 /nfs/dbraw/zinc/06/37/59/322063759.db2.gz MQRXZVRBWUAXGU-UHFFFAOYSA-N 2 1 287.407 3.391 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000565163835 322063760 /nfs/dbraw/zinc/06/37/60/322063760.db2.gz MQRXZVRBWUAXGU-UHFFFAOYSA-N 2 1 287.407 3.391 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000565742384 322089251 /nfs/dbraw/zinc/08/92/51/322089251.db2.gz BKJQJHFMPDWSKM-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000565742384 322089254 /nfs/dbraw/zinc/08/92/54/322089254.db2.gz BKJQJHFMPDWSKM-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000565742384 322089256 /nfs/dbraw/zinc/08/92/56/322089256.db2.gz BKJQJHFMPDWSKM-BHIYHBOVSA-N 2 1 286.463 3.281 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(C)C)[C@H]2CCC[C@H]21 ZINC000566000569 322100086 /nfs/dbraw/zinc/10/00/86/322100086.db2.gz JOHMLSNZOXKDAC-XUWVNRHRSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000566037140 322101434 /nfs/dbraw/zinc/10/14/34/322101434.db2.gz LQLMLNXGRDELDT-QZTJIDSGSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000566229890 322110392 /nfs/dbraw/zinc/11/03/92/322110392.db2.gz RIWHLXUTNBRFGW-IUCAKERBSA-N 2 1 278.293 3.060 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000566229876 322110538 /nfs/dbraw/zinc/11/05/38/322110538.db2.gz QZCLAGILAWSCIL-GUDVDZBRSA-N 2 1 286.463 3.358 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1sccc1Br ZINC000567638918 322171544 /nfs/dbraw/zinc/17/15/44/322171544.db2.gz VJADTZWPHJRCDW-IUCAKERBSA-N 2 1 291.258 3.017 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC34CC4)CC23CC3)cc1 ZINC000567853623 322179965 /nfs/dbraw/zinc/17/99/65/322179965.db2.gz IIOTXRAHGFXADP-DLBZAZTESA-N 2 1 282.431 3.326 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC34CC4)CC23CC3)cc1 ZINC000567853623 322179967 /nfs/dbraw/zinc/17/99/67/322179967.db2.gz IIOTXRAHGFXADP-DLBZAZTESA-N 2 1 282.431 3.326 20 0 CGADMP CCc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000568069061 322192138 /nfs/dbraw/zinc/19/21/38/322192138.db2.gz BKWMSXJAMCRURM-UHFFFAOYSA-N 2 1 260.425 3.023 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccn1 ZINC000568238443 322199758 /nfs/dbraw/zinc/19/97/58/322199758.db2.gz UYCJRWVQGQIVOM-HUUCEWRRSA-N 2 1 291.439 3.005 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccn1 ZINC000568238443 322199760 /nfs/dbraw/zinc/19/97/60/322199760.db2.gz UYCJRWVQGQIVOM-HUUCEWRRSA-N 2 1 291.439 3.005 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000569172256 322237801 /nfs/dbraw/zinc/23/78/01/322237801.db2.gz ISLWBRSRSGQYAV-JHNDHUHGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000569172256 322237804 /nfs/dbraw/zinc/23/78/04/322237804.db2.gz ISLWBRSRSGQYAV-JHNDHUHGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000569172256 322237807 /nfs/dbraw/zinc/23/78/07/322237807.db2.gz ISLWBRSRSGQYAV-JHNDHUHGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000569172258 322237914 /nfs/dbraw/zinc/23/79/14/322237914.db2.gz ISLWBRSRSGQYAV-TXCZRRACSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000569172258 322237916 /nfs/dbraw/zinc/23/79/16/322237916.db2.gz ISLWBRSRSGQYAV-TXCZRRACSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000569172258 322237918 /nfs/dbraw/zinc/23/79/18/322237918.db2.gz ISLWBRSRSGQYAV-TXCZRRACSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(-c2ccncc2)c1 ZINC000570271898 322269470 /nfs/dbraw/zinc/26/94/70/322269470.db2.gz NHGUZYJSWMDXQM-ACJLOTCBSA-N 2 1 281.403 3.137 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000570556238 322276422 /nfs/dbraw/zinc/27/64/22/322276422.db2.gz WXZGXQQWBYJBDZ-CWLKWCNXSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000570556238 322276423 /nfs/dbraw/zinc/27/64/23/322276423.db2.gz WXZGXQQWBYJBDZ-CWLKWCNXSA-N 2 1 274.452 3.497 20 0 CGADMP CCc1ccc([C@@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000570736514 322281016 /nfs/dbraw/zinc/28/10/16/322281016.db2.gz LVVRLBGMQPIBEL-GOSISDBHSA-N 2 1 297.446 3.405 20 0 CGADMP CCc1ccc([C@@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000570736514 322281018 /nfs/dbraw/zinc/28/10/18/322281018.db2.gz LVVRLBGMQPIBEL-GOSISDBHSA-N 2 1 297.446 3.405 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000570823597 322283161 /nfs/dbraw/zinc/28/31/61/322283161.db2.gz KQSXYMURHKSCDG-INIZCTEOSA-N 2 1 285.435 3.224 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000570823597 322283162 /nfs/dbraw/zinc/28/31/62/322283162.db2.gz KQSXYMURHKSCDG-INIZCTEOSA-N 2 1 285.435 3.224 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCCC2(C)C)CCCO1 ZINC000571382385 322297235 /nfs/dbraw/zinc/29/72/35/322297235.db2.gz ZMURZKABUWTDMU-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCCC2(C)C)CCCO1 ZINC000571382385 322297237 /nfs/dbraw/zinc/29/72/37/322297237.db2.gz ZMURZKABUWTDMU-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000572653056 322348550 /nfs/dbraw/zinc/34/85/50/322348550.db2.gz ZXRVOXCBVUMUSU-VSZNYVQBSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000572653056 322348553 /nfs/dbraw/zinc/34/85/53/322348553.db2.gz ZXRVOXCBVUMUSU-VSZNYVQBSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000572924466 322361766 /nfs/dbraw/zinc/36/17/66/322361766.db2.gz SSBGIYDXKMMJTO-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000572924466 322361770 /nfs/dbraw/zinc/36/17/70/322361770.db2.gz SSBGIYDXKMMJTO-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000573077737 322369380 /nfs/dbraw/zinc/36/93/80/322369380.db2.gz YPPAJXVCCCEIBE-DJIMGWMZSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CCCC1 ZINC000395688356 329294473 /nfs/dbraw/zinc/29/44/73/329294473.db2.gz YQEGTUCXWOUDJZ-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc2ccnc(NCCCC[N@H+](C)C3CC3)c2c1 ZINC000576395259 335197927 /nfs/dbraw/zinc/19/79/27/335197927.db2.gz HUUBJCRUQOYKMR-UHFFFAOYSA-N 2 1 283.419 3.251 20 0 CGADMP Cc1ccc2cc[nH+]c(NCCCC[N@@H+](C)C3CC3)c2c1 ZINC000576395259 335197929 /nfs/dbraw/zinc/19/79/29/335197929.db2.gz HUUBJCRUQOYKMR-UHFFFAOYSA-N 2 1 283.419 3.251 20 0 CGADMP Cc1ccc2cc[nH+]c(NCCCC[N@H+](C)C3CC3)c2c1 ZINC000576395259 335197931 /nfs/dbraw/zinc/19/79/31/335197931.db2.gz HUUBJCRUQOYKMR-UHFFFAOYSA-N 2 1 283.419 3.251 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000576595293 335224099 /nfs/dbraw/zinc/22/40/99/335224099.db2.gz JCPRCXIEJNKQEW-UHFFFAOYSA-N 2 1 287.382 3.156 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000576595293 335224100 /nfs/dbraw/zinc/22/41/00/335224100.db2.gz JCPRCXIEJNKQEW-UHFFFAOYSA-N 2 1 287.382 3.156 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000576668653 335232602 /nfs/dbraw/zinc/23/26/02/335232602.db2.gz MYJSTGZNQNOBLD-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000576668653 335232603 /nfs/dbraw/zinc/23/26/03/335232603.db2.gz MYJSTGZNQNOBLD-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000580639394 335308833 /nfs/dbraw/zinc/30/88/33/335308833.db2.gz MGNSVVDCKZAEOT-ZDUSSCGKSA-N 2 1 284.856 3.466 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000581191145 336021937 /nfs/dbraw/zinc/02/19/37/336021937.db2.gz MLRPKSBGDUOAMV-WMZOPIPTSA-N 2 1 292.442 3.324 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380932816 336040042 /nfs/dbraw/zinc/04/00/42/336040042.db2.gz HPVBOXYAGDTRLF-NXHRZFHOSA-N 2 1 272.436 3.287 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCC13CC3)C2 ZINC000581322081 336049017 /nfs/dbraw/zinc/04/90/17/336049017.db2.gz JKNYOVAPDYQISI-GOSISDBHSA-N 2 1 284.447 3.357 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCC13CC3)C2 ZINC000581322081 336049018 /nfs/dbraw/zinc/04/90/18/336049018.db2.gz JKNYOVAPDYQISI-GOSISDBHSA-N 2 1 284.447 3.357 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000381472123 336066151 /nfs/dbraw/zinc/06/61/51/336066151.db2.gz LKWJTTPDHKWTEA-SCDSUCTJSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000381472123 336066153 /nfs/dbraw/zinc/06/61/53/336066153.db2.gz LKWJTTPDHKWTEA-SCDSUCTJSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000581397224 336068204 /nfs/dbraw/zinc/06/82/04/336068204.db2.gz MBIOUYOLWWRBSH-IBGZPJMESA-N 2 1 286.463 3.467 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000385234554 336143005 /nfs/dbraw/zinc/14/30/05/336143005.db2.gz UNANNKFTDRBYCN-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000385717765 336154892 /nfs/dbraw/zinc/15/48/92/336154892.db2.gz MHERPHXDSYWVPA-KBMXLJTQSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000385717765 336154894 /nfs/dbraw/zinc/15/48/94/336154894.db2.gz MHERPHXDSYWVPA-KBMXLJTQSA-N 2 1 252.446 3.274 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000386288104 336169909 /nfs/dbraw/zinc/16/99/09/336169909.db2.gz GKSIPTAQNMUADM-NUEKZKHPSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000386288104 336169911 /nfs/dbraw/zinc/16/99/11/336169911.db2.gz GKSIPTAQNMUADM-NUEKZKHPSA-N 2 1 252.446 3.297 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCF)C2)s1 ZINC000581946922 336174776 /nfs/dbraw/zinc/17/47/76/336174776.db2.gz HLGYPJMXGQJRNP-CQSZACIVSA-N 2 1 284.444 3.170 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCF)C2)s1 ZINC000581946922 336174777 /nfs/dbraw/zinc/17/47/77/336174777.db2.gz HLGYPJMXGQJRNP-CQSZACIVSA-N 2 1 284.444 3.170 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCF)C2)s1 ZINC000581946922 336174778 /nfs/dbraw/zinc/17/47/78/336174778.db2.gz HLGYPJMXGQJRNP-CQSZACIVSA-N 2 1 284.444 3.170 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582003226 336188957 /nfs/dbraw/zinc/18/89/57/336188957.db2.gz BEXWJWZNHYXFRC-RBUKOAKNSA-N 2 1 294.442 3.314 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccsc1 ZINC000360501153 533808327 /nfs/dbraw/zinc/80/83/27/533808327.db2.gz RRKDVUQCHVRYGI-LBPRGKRZSA-N 2 1 264.438 3.416 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423472194 533811294 /nfs/dbraw/zinc/81/12/94/533811294.db2.gz HVMMPENVRVETDD-NEPJUHHUSA-N 2 1 262.388 3.036 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1csc(Cl)c1 ZINC000423568610 533852456 /nfs/dbraw/zinc/85/24/56/533852456.db2.gz VRKYZFCFVPINSL-VIFPVBQESA-N 2 1 258.818 3.194 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C ZINC000424302427 533912997 /nfs/dbraw/zinc/91/29/97/533912997.db2.gz ZMHHVSMLLVBHAG-INIZCTEOSA-N 2 1 272.436 3.267 20 0 CGADMP CSc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424285072 534203831 /nfs/dbraw/zinc/20/38/31/534203831.db2.gz FAJWKNGOGZTLDY-CQSZACIVSA-N 2 1 290.476 3.373 20 0 CGADMP CCCCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000746667250 572889676 /nfs/dbraw/zinc/88/96/76/572889676.db2.gz FMEUZLKXBLVWIE-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCCCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000746667250 572889680 /nfs/dbraw/zinc/88/96/80/572889680.db2.gz FMEUZLKXBLVWIE-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083065 534259075 /nfs/dbraw/zinc/25/90/75/534259075.db2.gz RUUQPVSRVLVVBK-XHSDSOJGSA-N 2 1 278.440 3.168 20 0 CGADMP CCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000746667250 572889684 /nfs/dbraw/zinc/88/96/84/572889684.db2.gz FMEUZLKXBLVWIE-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054972 534447787 /nfs/dbraw/zinc/44/77/87/534447787.db2.gz BIJOWRVEUMPBEW-GLJUWKHASA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054972 534447792 /nfs/dbraw/zinc/44/77/92/534447792.db2.gz BIJOWRVEUMPBEW-GLJUWKHASA-N 2 1 283.419 3.053 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000150308197 519796290 /nfs/dbraw/zinc/79/62/90/519796290.db2.gz VEJOIASXFNBHKG-AWEZNQCLSA-N 2 1 270.367 3.429 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010602 519801555 /nfs/dbraw/zinc/80/15/55/519801555.db2.gz VUHXEONWNDTGIG-KRWDZBQOSA-N 2 1 260.425 3.315 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000339413733 519815207 /nfs/dbraw/zinc/81/52/07/519815207.db2.gz OCYSYRBXLGTFDA-DLBZAZTESA-N 2 1 260.425 3.097 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000093942939 519862076 /nfs/dbraw/zinc/86/20/76/519862076.db2.gz ACNDLMLRYPFORU-HOTGVXAUSA-N 2 1 289.467 3.135 20 0 CGADMP CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000085872594 519906377 /nfs/dbraw/zinc/90/63/77/519906377.db2.gz SHPAPYCDKMSDNF-UHFFFAOYSA-N 2 1 260.425 3.429 20 0 CGADMP c1cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2o1 ZINC000449087686 534476893 /nfs/dbraw/zinc/47/68/93/534476893.db2.gz GLKZMEHMPIKQHC-HZPDHXFCSA-N 2 1 270.376 3.149 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000459407492 534553982 /nfs/dbraw/zinc/55/39/82/534553982.db2.gz MGESCYMLOBPWBQ-SLTAFYQDSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000459407492 534553987 /nfs/dbraw/zinc/55/39/87/534553987.db2.gz MGESCYMLOBPWBQ-SLTAFYQDSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1occc1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000414357225 534574795 /nfs/dbraw/zinc/57/47/95/534574795.db2.gz IPCNSDBLTKDCCI-UHFFFAOYSA-N 2 1 285.391 3.050 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000049554229 524168517 /nfs/dbraw/zinc/16/85/17/524168517.db2.gz YXVNSVDDKWTOOF-BXUZGUMPSA-N 2 1 282.428 3.292 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000049553227 524478523 /nfs/dbraw/zinc/47/85/23/524478523.db2.gz HQILNIFYQRMVGS-RYUDHWBXSA-N 2 1 286.366 3.279 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(F)cc1 ZINC000290337094 524892958 /nfs/dbraw/zinc/89/29/58/524892958.db2.gz FENYCGOTPVOWGC-ROHVMALMSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(F)cc1 ZINC000290337094 524892967 /nfs/dbraw/zinc/89/29/67/524892967.db2.gz FENYCGOTPVOWGC-ROHVMALMSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290337094 524892975 /nfs/dbraw/zinc/89/29/75/524892975.db2.gz FENYCGOTPVOWGC-ROHVMALMSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290337094 524892984 /nfs/dbraw/zinc/89/29/84/524892984.db2.gz FENYCGOTPVOWGC-ROHVMALMSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000085433362 525292056 /nfs/dbraw/zinc/29/20/56/525292056.db2.gz UDQHUBSXUVNISQ-NSHDSACASA-N 2 1 275.421 3.041 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000037786335 526287361 /nfs/dbraw/zinc/28/73/61/526287361.db2.gz TYKCTGPBOMTCGF-UHFFFAOYSA-N 2 1 252.427 3.101 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414301292 526660889 /nfs/dbraw/zinc/66/08/89/526660889.db2.gz LPSLKJYYPNKLHQ-CVEARBPZSA-N 2 1 264.457 3.418 20 0 CGADMP [NH3+]C[C@H](Nc1cc[nH+]cc1Br)C1CCCCC1 ZINC000163963438 527229297 /nfs/dbraw/zinc/22/92/97/527229297.db2.gz OSWOLPCEOFLKFO-ZDUSSCGKSA-N 2 1 298.228 3.164 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000423287537 527259866 /nfs/dbraw/zinc/25/98/66/527259866.db2.gz MUXIEMVWRNHOPC-HNNXBMFYSA-N 2 1 264.388 3.384 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000449246247 527828573 /nfs/dbraw/zinc/82/85/73/527828573.db2.gz DAWVPDFLQZOBME-WBVHZDCISA-N 2 1 264.457 3.443 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCOC(C)(C)C)C1 ZINC000354848403 527835537 /nfs/dbraw/zinc/83/55/37/527835537.db2.gz KXCKRVYWYDXWTQ-INIZCTEOSA-N 2 1 284.488 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354848403 527835545 /nfs/dbraw/zinc/83/55/45/527835545.db2.gz KXCKRVYWYDXWTQ-INIZCTEOSA-N 2 1 284.488 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354848403 527835551 /nfs/dbraw/zinc/83/55/51/527835551.db2.gz KXCKRVYWYDXWTQ-INIZCTEOSA-N 2 1 284.488 3.245 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2SC)C1 ZINC000358036603 527835658 /nfs/dbraw/zinc/83/56/58/527835658.db2.gz PGUGKNFEJWTLNG-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2SC)C1 ZINC000358036603 527835661 /nfs/dbraw/zinc/83/56/61/527835661.db2.gz PGUGKNFEJWTLNG-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC000358036603 527835668 /nfs/dbraw/zinc/83/56/68/527835668.db2.gz PGUGKNFEJWTLNG-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000358036603 527835673 /nfs/dbraw/zinc/83/56/73/527835673.db2.gz PGUGKNFEJWTLNG-CQSZACIVSA-N 2 1 278.465 3.182 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423512517 527848264 /nfs/dbraw/zinc/84/82/64/527848264.db2.gz UUUKLLWMWQZKNV-HOTGVXAUSA-N 2 1 252.446 3.308 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193139926 527954419 /nfs/dbraw/zinc/95/44/19/527954419.db2.gz KFDOHVJDAYPWGW-WBVHZDCISA-N 2 1 296.499 3.290 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000359273978 528114670 /nfs/dbraw/zinc/11/46/70/528114670.db2.gz ACLDXXYLNVLHSC-INIZCTEOSA-N 2 1 276.424 3.004 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427119205 528132024 /nfs/dbraw/zinc/13/20/24/528132024.db2.gz GUWKGIXFWKQRPW-FGTMMUONSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000449090876 528261069 /nfs/dbraw/zinc/26/10/69/528261069.db2.gz HWNSQMFUIFCJKP-HWOWSKLDSA-N 2 1 284.513 3.230 20 0 CGADMP CCCCCn1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(C)n1 ZINC000423025852 528290067 /nfs/dbraw/zinc/29/00/67/528290067.db2.gz PGCYBYMJOSNRFR-IAGOWNOFSA-N 2 1 292.471 3.131 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000423269246 528518041 /nfs/dbraw/zinc/51/80/41/528518041.db2.gz VSXSYFKOLGHZAC-SMDDNHRTSA-N 2 1 254.805 3.364 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000414170678 528587933 /nfs/dbraw/zinc/58/79/33/528587933.db2.gz CCGDHDYOPQBROE-WMLDXEAASA-N 2 1 293.430 3.239 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367590721 528656522 /nfs/dbraw/zinc/65/65/22/528656522.db2.gz VTBYDAMALSHEMT-KURKYZTESA-N 2 1 288.435 3.048 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000414115139 528670702 /nfs/dbraw/zinc/67/07/02/528670702.db2.gz MPLAAZYHCBWPCC-TZNCUMHOSA-N 2 1 296.499 3.148 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423332035 528691425 /nfs/dbraw/zinc/69/14/25/528691425.db2.gz QMUJODMFYMYQTE-AWEZNQCLSA-N 2 1 276.424 3.398 20 0 CGADMP CCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359134700 528691836 /nfs/dbraw/zinc/69/18/36/528691836.db2.gz JGZSZTUNWXSZJK-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359134700 528691842 /nfs/dbraw/zinc/69/18/42/528691842.db2.gz JGZSZTUNWXSZJK-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C)Cc1ccoc1)[NH+](C)C ZINC000449079500 528855986 /nfs/dbraw/zinc/85/59/86/528855986.db2.gz ZAZOBMFSJZSVFN-CJNGLKHVSA-N 2 1 266.429 3.167 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000423289388 528951045 /nfs/dbraw/zinc/95/10/45/528951045.db2.gz XBMAYTOBOQFCCN-CQSZACIVSA-N 2 1 280.387 3.147 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423287612 528951370 /nfs/dbraw/zinc/95/13/70/528951370.db2.gz NJVREDAOKSQWCJ-NSHDSACASA-N 2 1 286.366 3.456 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423283458 528951833 /nfs/dbraw/zinc/95/18/33/528951833.db2.gz FFLZYDKUXMJFNI-CQSZACIVSA-N 2 1 262.397 3.007 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000423286975 528952342 /nfs/dbraw/zinc/95/23/42/528952342.db2.gz JTRUFZJMZPJJNN-CYBMUJFWSA-N 2 1 264.413 3.172 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423287844 528954107 /nfs/dbraw/zinc/95/41/07/528954107.db2.gz OVXFDYDBZFACTQ-ZDUSSCGKSA-N 2 1 282.428 3.470 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423288882 528954998 /nfs/dbraw/zinc/95/49/98/528954998.db2.gz VOBXBRRHRXKNHG-AWEZNQCLSA-N 2 1 266.816 3.434 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000437587442 528972418 /nfs/dbraw/zinc/97/24/18/528972418.db2.gz GJOLQGZLVKNHJR-CQSZACIVSA-N 2 1 278.415 3.345 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000437587442 528972424 /nfs/dbraw/zinc/97/24/24/528972424.db2.gz GJOLQGZLVKNHJR-CQSZACIVSA-N 2 1 278.415 3.345 20 0 CGADMP CCCC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000423415314 528993366 /nfs/dbraw/zinc/99/33/66/528993366.db2.gz DMNKITVWTYGPAT-ZWKOTPCHSA-N 2 1 290.451 3.276 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449069947 529001023 /nfs/dbraw/zinc/00/10/23/529001023.db2.gz YWKNVCUQUDTTOW-UHFFFAOYSA-N 2 1 272.392 3.395 20 0 CGADMP CCC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCC1 ZINC000449151462 529005206 /nfs/dbraw/zinc/00/52/06/529005206.db2.gz APDOHRQAGLAFJS-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423261520 529070478 /nfs/dbraw/zinc/07/04/78/529070478.db2.gz JZMLHQCKRFSASI-GXFFZTMASA-N 2 1 274.330 3.339 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000423428156 529126217 /nfs/dbraw/zinc/12/62/17/529126217.db2.gz JEPFEGLSEFBWTA-IDTSFGKNSA-N 2 1 299.245 3.498 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC(F)F)cc1 ZINC000423332272 529157464 /nfs/dbraw/zinc/15/74/64/529157464.db2.gz QRDFRGQYXWYBIA-CYBMUJFWSA-N 2 1 284.350 3.210 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1OC ZINC000414172519 529168362 /nfs/dbraw/zinc/16/83/62/529168362.db2.gz FJYGDUYSPAOEAU-NVXWUHKLSA-N 2 1 290.451 3.468 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CCCC1 ZINC000449071203 529177912 /nfs/dbraw/zinc/17/79/12/529177912.db2.gz GPGZVAGCLBILDL-XJKSGUPXSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(OC(F)F)cc1 ZINC000423283709 529178509 /nfs/dbraw/zinc/17/85/09/529178509.db2.gz XIXVEXOUPJHRFY-UONOGXRCSA-N 2 1 286.366 3.312 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423096534 529208374 /nfs/dbraw/zinc/20/83/74/529208374.db2.gz PEBNOJTXUPJXBU-YYQUZTFQSA-N 2 1 294.389 3.331 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000123647551 535064877 /nfs/dbraw/zinc/06/48/77/535064877.db2.gz JOOPMOKFRLRFOA-SWLSCSKDSA-N 2 1 252.377 3.192 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000123647551 535064880 /nfs/dbraw/zinc/06/48/80/535064880.db2.gz JOOPMOKFRLRFOA-SWLSCSKDSA-N 2 1 252.377 3.192 20 0 CGADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCC(C)CC1 ZINC000486984632 535191510 /nfs/dbraw/zinc/19/15/10/535191510.db2.gz SRZIGWJAPGCFBH-JKSUJKDBSA-N 2 1 284.513 3.086 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCCc2ccccc2)CC1 ZINC000480539330 535457982 /nfs/dbraw/zinc/45/79/82/535457982.db2.gz KQWXQKCLEHOBAC-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCCc2ccccc2)CC1 ZINC000480539330 535457987 /nfs/dbraw/zinc/45/79/87/535457987.db2.gz KQWXQKCLEHOBAC-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000514111938 535510620 /nfs/dbraw/zinc/51/06/20/535510620.db2.gz VBQJJMGRILKNIX-INIZCTEOSA-N 2 1 278.415 3.347 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000479699769 535773084 /nfs/dbraw/zinc/77/30/84/535773084.db2.gz LKRVVQMXQXJQMS-SFHVURJKSA-N 2 1 274.452 3.329 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000459781768 536384330 /nfs/dbraw/zinc/38/43/30/536384330.db2.gz MJSGMWWGGKSPDW-CYBMUJFWSA-N 2 1 298.833 3.343 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123691989 536554985 /nfs/dbraw/zinc/55/49/85/536554985.db2.gz ZIBHQSMHPKYFPB-AWEZNQCLSA-N 2 1 284.831 3.154 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123691989 536554992 /nfs/dbraw/zinc/55/49/92/536554992.db2.gz ZIBHQSMHPKYFPB-AWEZNQCLSA-N 2 1 284.831 3.154 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000727469584 571750130 /nfs/dbraw/zinc/75/01/30/571750130.db2.gz ZUGIQYUZXIEVLX-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)cs1 ZINC000299739346 567149514 /nfs/dbraw/zinc/14/95/14/567149514.db2.gz NMNUXARXIHTYBZ-CQSZACIVSA-N 2 1 287.432 3.270 20 0 CGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000728571370 571811449 /nfs/dbraw/zinc/81/14/49/571811449.db2.gz CHKQHBAZQTZLEI-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[N@@H+](C)CC1CCN(Cc2cccnc2Cl)CC1 ZINC000728571370 571811447 /nfs/dbraw/zinc/81/14/47/571811447.db2.gz CHKQHBAZQTZLEI-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000728571370 571811452 /nfs/dbraw/zinc/81/14/52/571811452.db2.gz CHKQHBAZQTZLEI-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCCc2cccnc21 ZINC000252558426 571924888 /nfs/dbraw/zinc/92/48/88/571924888.db2.gz USCUIMAFKIARKM-WBVHZDCISA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000252558426 571924891 /nfs/dbraw/zinc/92/48/91/571924891.db2.gz USCUIMAFKIARKM-WBVHZDCISA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000252558426 571924893 /nfs/dbraw/zinc/92/48/93/571924893.db2.gz USCUIMAFKIARKM-WBVHZDCISA-N 2 1 287.451 3.313 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731678081 572423588 /nfs/dbraw/zinc/42/35/88/572423588.db2.gz GTOJJFLBRDNADO-UHFFFAOYSA-N 2 1 299.418 3.085 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCCCC2)cc1 ZINC000399637662 572533792 /nfs/dbraw/zinc/53/37/92/572533792.db2.gz XRPFBOIVSAEATI-JJTKIYQPSA-N 2 1 284.447 3.429 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCCCC2)cc1 ZINC000399637662 572533796 /nfs/dbraw/zinc/53/37/96/572533796.db2.gz XRPFBOIVSAEATI-JJTKIYQPSA-N 2 1 284.447 3.429 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166389009 572814544 /nfs/dbraw/zinc/81/45/44/572814544.db2.gz RBZLKMOKODUTNZ-QZTJIDSGSA-N 2 1 286.463 3.489 20 0 CGADMP C[N@@H+](Cc1cccc(-c2csc(C[NH3+])c2)c1)C1CC1 ZINC000899322886 620639002 /nfs/dbraw/zinc/63/90/02/620639002.db2.gz AZWTXLPOVTXEPW-UHFFFAOYSA-N 2 1 272.417 3.468 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261652198 618107170 /nfs/dbraw/zinc/10/71/70/618107170.db2.gz BCCLBRCPVBKJSM-DGCLKSJQSA-N 2 1 286.341 3.183 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891917403 618383994 /nfs/dbraw/zinc/38/39/94/618383994.db2.gz RYPJEYHSVBUMRS-QGZVFWFLSA-N 2 1 288.435 3.174 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000892053380 618506633 /nfs/dbraw/zinc/50/66/33/618506633.db2.gz VFYNNXGKYZGFGH-KRWDZBQOSA-N 2 1 290.476 3.118 20 0 CGADMP COC1CCC(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000892085457 618522938 /nfs/dbraw/zinc/52/29/38/618522938.db2.gz FYSPJAUTZARNQI-ADKAHSJRSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000052381549 618712868 /nfs/dbraw/zinc/71/28/68/618712868.db2.gz KMASIWPXKRQNHR-OAHLLOKOSA-N 2 1 260.425 3.417 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000924527968 618776393 /nfs/dbraw/zinc/77/63/93/618776393.db2.gz XURLJLMRRCQDMD-MRXNPFEDSA-N 2 1 275.440 3.100 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C)C1 ZINC000177034057 618776649 /nfs/dbraw/zinc/77/66/49/618776649.db2.gz QGQSYQWHOUZMFT-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C)C1 ZINC000177034057 618776652 /nfs/dbraw/zinc/77/66/52/618776652.db2.gz QGQSYQWHOUZMFT-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2C)C1 ZINC000177034057 618776653 /nfs/dbraw/zinc/77/66/53/618776653.db2.gz QGQSYQWHOUZMFT-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2C)C1 ZINC000177034057 618776656 /nfs/dbraw/zinc/77/66/56/618776656.db2.gz QGQSYQWHOUZMFT-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1cc(F)ncc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000892450388 618788321 /nfs/dbraw/zinc/78/83/21/618788321.db2.gz BXQRVBNZLPDKLD-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1cc(F)ncc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000892450388 618788326 /nfs/dbraw/zinc/78/83/26/618788326.db2.gz BXQRVBNZLPDKLD-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000235697657 618819535 /nfs/dbraw/zinc/81/95/35/618819535.db2.gz SWORQSAPUSJQNM-JSGCOSHPSA-N 2 1 266.816 3.160 20 0 CGADMP Cc1nc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)sc1C ZINC000892584337 618867575 /nfs/dbraw/zinc/86/75/75/618867575.db2.gz JEOVGXFMWUZQSC-ZDUSSCGKSA-N 2 1 295.496 3.362 20 0 CGADMP COCCCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000893086426 618991624 /nfs/dbraw/zinc/99/16/24/618991624.db2.gz PQELLSXKNGRXGN-ALOPSCKCSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC000893085998 618992739 /nfs/dbraw/zinc/99/27/39/618992739.db2.gz KYYCSPLSCAKEBI-YQQQUEKLSA-N 2 1 286.463 3.451 20 0 CGADMP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925675720 619125608 /nfs/dbraw/zinc/12/56/08/619125608.db2.gz OOQAMBQYUABVGC-XJKCOSOUSA-N 2 1 290.838 3.460 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccccc1 ZINC000925712693 619158686 /nfs/dbraw/zinc/15/86/86/619158686.db2.gz ZBEGCZZDZAJXEU-YUTCNCBUSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925821763 619267195 /nfs/dbraw/zinc/26/71/95/619267195.db2.gz IOBUTYWKAQQPBI-WMVAYQGLSA-N 2 1 270.420 3.114 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)ccc1OC ZINC000925825916 619274066 /nfs/dbraw/zinc/27/40/66/619274066.db2.gz CBNAYCPYNKUYSA-DZGCQCFKSA-N 2 1 280.387 3.017 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccccc1 ZINC000925854873 619296722 /nfs/dbraw/zinc/29/67/22/619296722.db2.gz BERWEFRZKKAHDN-BPUTZDHNSA-N 2 1 290.476 3.483 20 0 CGADMP Fc1cccc(/C=C/C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000893966172 619340937 /nfs/dbraw/zinc/34/09/37/619340937.db2.gz IXVFPSNLENGUSA-IJJSQOHJSA-N 2 1 285.366 3.442 20 0 CGADMP CC1(O)CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000894223265 619429615 /nfs/dbraw/zinc/42/96/15/619429615.db2.gz MHUOCMFBYZPDQS-NXYGQSRBSA-N 2 1 294.483 3.067 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924961472 619462760 /nfs/dbraw/zinc/46/27/60/619462760.db2.gz WEXLYQSPFKPNRO-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1nccc2ccccc21 ZINC000894782381 619634001 /nfs/dbraw/zinc/63/40/01/619634001.db2.gz KWLZRGACAQKVLG-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1nccc2ccccc21 ZINC000894782381 619634004 /nfs/dbraw/zinc/63/40/04/619634004.db2.gz KWLZRGACAQKVLG-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1nccc2ccccc21 ZINC000894782381 619634009 /nfs/dbraw/zinc/63/40/09/619634009.db2.gz KWLZRGACAQKVLG-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1nccc2ccccc21 ZINC000894782381 619634013 /nfs/dbraw/zinc/63/40/13/619634013.db2.gz KWLZRGACAQKVLG-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](CC2=CCCOC2)CC1 ZINC000895554658 619848982 /nfs/dbraw/zinc/84/89/82/619848982.db2.gz WCYQKOWQOCYQDC-UHFFFAOYSA-N 2 1 292.467 3.064 20 0 CGADMP CSc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000237324621 620276935 /nfs/dbraw/zinc/27/69/35/620276935.db2.gz VHVWHAVAPPXGST-ZDUSSCGKSA-N 2 1 289.448 3.339 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924708713 620570350 /nfs/dbraw/zinc/57/03/50/620570350.db2.gz ZIQDKHLRQRGKMR-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924708713 620570352 /nfs/dbraw/zinc/57/03/52/620570352.db2.gz ZIQDKHLRQRGKMR-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC000898434960 620587483 /nfs/dbraw/zinc/58/74/83/620587483.db2.gz ZSDXSBKXXQQUON-OLBOPLKTSA-N 2 1 270.848 3.372 20 0 CGADMP CNc1ccccc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000902478726 621327546 /nfs/dbraw/zinc/32/75/46/621327546.db2.gz WMWWPVJAJUGTSP-HNNXBMFYSA-N 2 1 275.440 3.082 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000902466278 621338167 /nfs/dbraw/zinc/33/81/67/621338167.db2.gz MFDYJHKJKWVLGY-HTXLXMOSSA-N 2 1 296.867 3.376 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902471790 621342379 /nfs/dbraw/zinc/34/23/79/621342379.db2.gz SOAJTFSLHTWSNZ-QXDIGNSFSA-N 2 1 270.420 3.114 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(C(F)F)c(F)c1)C[NH+](C)C ZINC000902571898 621376422 /nfs/dbraw/zinc/37/64/22/621376422.db2.gz PDJPNXZPKZOTCA-JTQLQIEISA-N 2 1 274.330 3.051 20 0 CGADMP CC(C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903126461 621589778 /nfs/dbraw/zinc/58/97/78/621589778.db2.gz CAVKPUNAKYEASE-WPXLMEDKSA-N 2 1 250.430 3.168 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903126721 621590701 /nfs/dbraw/zinc/59/07/01/621590701.db2.gz UQBIWGDWRQFKHA-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccsc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903130887 621592550 /nfs/dbraw/zinc/59/25/50/621592550.db2.gz FPKVOEWERNDECD-VHRNVKJDSA-N 2 1 290.476 3.346 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147721 621610319 /nfs/dbraw/zinc/61/03/19/621610319.db2.gz MULQKCVOURPMFD-UXDQUXDASA-N 2 1 276.468 3.418 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)CCC2=C(C)C)CC1 ZINC000924788244 621617163 /nfs/dbraw/zinc/61/71/63/621617163.db2.gz LXBYKDKGBRGSMW-QAPCUYQASA-N 2 1 294.483 3.212 20 0 CGADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000903253102 621642534 /nfs/dbraw/zinc/64/25/34/621642534.db2.gz JCUKMKSAUPRCHC-DQEVTTJGSA-N 2 1 284.447 3.285 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903341503 621696331 /nfs/dbraw/zinc/69/63/31/621696331.db2.gz YZHFHZWNMZTKSE-SFHVURJKSA-N 2 1 287.451 3.243 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]C1CCC(F)(F)CC1)c1cccnc1 ZINC000903378640 621721683 /nfs/dbraw/zinc/72/16/83/621721683.db2.gz RGICHTWANDWSST-HNNXBMFYSA-N 2 1 297.393 3.242 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439344 621747931 /nfs/dbraw/zinc/74/79/31/621747931.db2.gz GRZBDYMSVUEXIC-DDBAPUKQSA-N 2 1 272.436 3.067 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)C1 ZINC000903439041 621748337 /nfs/dbraw/zinc/74/83/37/621748337.db2.gz BVQBTXVRLMPQGS-XKQJLSEDSA-N 2 1 276.399 3.480 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456012 621762904 /nfs/dbraw/zinc/76/29/04/621762904.db2.gz BYECKXDZAWSPCA-XBFCOCLRSA-N 2 1 295.496 3.423 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456012 621762914 /nfs/dbraw/zinc/76/29/14/621762914.db2.gz BYECKXDZAWSPCA-XBFCOCLRSA-N 2 1 295.496 3.423 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000903481765 621764934 /nfs/dbraw/zinc/76/49/34/621764934.db2.gz MCJMFQOZOOBHCW-PVAVHDDUSA-N 2 1 290.476 3.022 20 0 CGADMP FC1(F)CCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481822 621764994 /nfs/dbraw/zinc/76/49/94/621764994.db2.gz NSCUKYMDKNSTAP-QWHCGFSZSA-N 2 1 272.383 3.076 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498828 621765684 /nfs/dbraw/zinc/76/56/84/621765684.db2.gz FOJAPFKDUFKADH-IJEWVQPXSA-N 2 1 299.418 3.319 20 0 CGADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903563680 621767454 /nfs/dbraw/zinc/76/74/54/621767454.db2.gz IQFKFMIEOBUFML-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732851 621797710 /nfs/dbraw/zinc/79/77/10/621797710.db2.gz HAWFRDGMLIXXHY-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@H]2CCC3(CCC3)O2)CCC1 ZINC000903812680 621814792 /nfs/dbraw/zinc/81/47/92/621814792.db2.gz VYCCVERDVMIVCJ-HZPDHXFCSA-N 2 1 292.467 3.072 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818375 621819353 /nfs/dbraw/zinc/81/93/53/621819353.db2.gz JCZHSERITRHMKA-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC000903840385 621819498 /nfs/dbraw/zinc/81/94/98/621819498.db2.gz QGSXRJPFLIULAY-CFVMTHIKSA-N 2 1 299.443 3.122 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC000903840385 621819499 /nfs/dbraw/zinc/81/94/99/621819499.db2.gz QGSXRJPFLIULAY-CFVMTHIKSA-N 2 1 299.443 3.122 20 0 CGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1(c2ccccc2)CC1 ZINC000903911056 621832136 /nfs/dbraw/zinc/83/21/36/621832136.db2.gz VRSICKVNYWDJJV-ZNXRZULTSA-N 2 1 284.447 3.181 20 0 CGADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917875 621836103 /nfs/dbraw/zinc/83/61/03/621836103.db2.gz ODEQUWFDNHLOFA-VBZNHOPUSA-N 2 1 286.463 3.388 20 0 CGADMP c1ccc2c(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)ccnc2c1 ZINC000903959619 621836814 /nfs/dbraw/zinc/83/68/14/621836814.db2.gz LAOOHXRNOWBROP-LJQANCHMSA-N 2 1 295.430 3.200 20 0 CGADMP CC[N@H+](Cc1cccc(Br)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308431 621902591 /nfs/dbraw/zinc/90/25/91/621902591.db2.gz PYQDSTSJAHIXFM-XBXGTLAGSA-N 2 1 297.240 3.008 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCc2ccccc2F)C2CCCC2)C1 ZINC000904309701 621903102 /nfs/dbraw/zinc/90/31/02/621903102.db2.gz PSKNGJXVSHNHSR-FZNQNYSPSA-N 2 1 290.426 3.350 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[N@H+](C2CCCC2)CC1 ZINC000904315966 621903211 /nfs/dbraw/zinc/90/32/11/621903211.db2.gz HHFFGTLFZVKGLG-MRXNPFEDSA-N 2 1 295.515 3.090 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC12CCCCC2 ZINC000904346562 621910164 /nfs/dbraw/zinc/91/01/64/621910164.db2.gz UASOCCNENJWMRJ-SOUVJXGZSA-N 2 1 250.430 3.016 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c2ccccc12 ZINC000904409580 621919237 /nfs/dbraw/zinc/91/92/37/621919237.db2.gz CUQNAAQUNHPTCY-CQSZACIVSA-N 2 1 284.403 3.019 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)C2)C1 ZINC000906589655 622251920 /nfs/dbraw/zinc/25/19/20/622251920.db2.gz LHJVZCJCBJWLFV-KSZLIROESA-N 2 1 288.410 3.099 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)C2)C1 ZINC000906589655 622251924 /nfs/dbraw/zinc/25/19/24/622251924.db2.gz LHJVZCJCBJWLFV-KSZLIROESA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3C[C@H]3c3cccc(F)c3)C2)C1 ZINC000906589655 622251930 /nfs/dbraw/zinc/25/19/30/622251930.db2.gz LHJVZCJCBJWLFV-KSZLIROESA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3C[C@H]3c3cccc(F)c3)C2)C1 ZINC000906589655 622251936 /nfs/dbraw/zinc/25/19/36/622251936.db2.gz LHJVZCJCBJWLFV-KSZLIROESA-N 2 1 288.410 3.099 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cncc2ccccc21 ZINC000227595638 623024953 /nfs/dbraw/zinc/02/49/53/623024953.db2.gz OFTKMGPZJDPTIM-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cncc2ccccc21 ZINC000227595638 623024961 /nfs/dbraw/zinc/02/49/61/623024961.db2.gz OFTKMGPZJDPTIM-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP CC(C)(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000324342186 623800008 /nfs/dbraw/zinc/80/00/08/623800008.db2.gz DORMOUJHFJMSRB-SOUVJXGZSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCCCO1 ZINC000923311771 626145522 /nfs/dbraw/zinc/14/55/22/626145522.db2.gz WFRHFBRZHFNXIA-HQSKLWIPSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@@H]1[NH3+] ZINC000923344967 626148483 /nfs/dbraw/zinc/14/84/83/626148483.db2.gz LPPPYUJKNNQLNJ-CABCVRRESA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923490388 626157997 /nfs/dbraw/zinc/15/79/97/626157997.db2.gz NGCRJPDWOUOYSU-HYVNUMGLSA-N 2 1 272.436 3.023 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923496891 626158703 /nfs/dbraw/zinc/15/87/03/626158703.db2.gz CFJGGVHVBZVTML-RISCZKNCSA-N 2 1 268.351 3.041 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cncc3ccccc32)CC1 ZINC000759978521 626933461 /nfs/dbraw/zinc/93/34/61/626933461.db2.gz WYGHGHWOTCDBJA-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cncc3ccccc32)CC1 ZINC000759978521 626933466 /nfs/dbraw/zinc/93/34/66/626933466.db2.gz WYGHGHWOTCDBJA-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000766241150 627306075 /nfs/dbraw/zinc/30/60/75/627306075.db2.gz BNQXAYSEDSOYDA-MRXNPFEDSA-N 2 1 291.345 3.307 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000766241150 627306078 /nfs/dbraw/zinc/30/60/78/627306078.db2.gz BNQXAYSEDSOYDA-MRXNPFEDSA-N 2 1 291.345 3.307 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)[C@H](C)C1 ZINC000766258261 627307016 /nfs/dbraw/zinc/30/70/16/627307016.db2.gz HABLOBZOBANVCM-DQYPLSBCSA-N 2 1 292.854 3.127 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCc1ccccc1)C1CC1 ZINC000767350053 627400216 /nfs/dbraw/zinc/40/02/16/627400216.db2.gz CMFGIOPFVUIOLJ-QGZVFWFLSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCc1ccccc1)C1CC1 ZINC000767350053 627400217 /nfs/dbraw/zinc/40/02/17/627400217.db2.gz CMFGIOPFVUIOLJ-QGZVFWFLSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCc1ccccc1)C1CC1 ZINC000767350053 627400219 /nfs/dbraw/zinc/40/02/19/627400219.db2.gz CMFGIOPFVUIOLJ-QGZVFWFLSA-N 2 1 272.436 3.178 20 0 CGADMP CC(C)CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000767415142 627406722 /nfs/dbraw/zinc/40/67/22/627406722.db2.gz MOMABCKKDXUUKH-INIZCTEOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccccc2[nH]1 ZINC000775621512 628114446 /nfs/dbraw/zinc/11/44/46/628114446.db2.gz KWFFAFYGRNPBFD-FDQGKXFDSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccccc2[nH]1 ZINC000775621512 628114448 /nfs/dbraw/zinc/11/44/48/628114448.db2.gz KWFFAFYGRNPBFD-FDQGKXFDSA-N 2 1 283.419 3.445 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(CF)cc3)CC[C@@H]21 ZINC000777599937 628287614 /nfs/dbraw/zinc/28/76/14/628287614.db2.gz MOLZQYNEXKERHK-IRXDYDNUSA-N 2 1 276.399 3.072 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCSC2)C1 ZINC000783569546 628726273 /nfs/dbraw/zinc/72/62/73/628726273.db2.gz UQACWLRCNRFJFR-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCSC2)C1 ZINC000783569546 628726276 /nfs/dbraw/zinc/72/62/76/628726276.db2.gz UQACWLRCNRFJFR-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP C[NH+]1CCC(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)CC1 ZINC000788477679 629057247 /nfs/dbraw/zinc/05/72/47/629057247.db2.gz DWKWWKKQZVYMDN-UHFFFAOYSA-N 2 1 294.389 3.271 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000788481056 629058091 /nfs/dbraw/zinc/05/80/91/629058091.db2.gz PGTIUJQMMUYNQC-QGZVFWFLSA-N 2 1 290.476 3.118 20 0 CGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000788480736 629058224 /nfs/dbraw/zinc/05/82/24/629058224.db2.gz DDTHNGGVAGYTPB-AWEZNQCLSA-N 2 1 276.424 3.117 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790047647 629179689 /nfs/dbraw/zinc/17/96/89/629179689.db2.gz ANXNEISTSJZVQI-AEFFLSMTSA-N 2 1 286.463 3.426 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCc1cccc(C(F)(F)F)c1 ZINC000863651691 629633149 /nfs/dbraw/zinc/63/31/49/629633149.db2.gz KYAVVERROJJNTB-GFCCVEGCSA-N 2 1 288.357 3.307 20 0 CGADMP COC1(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCCC1 ZINC000809738718 630795129 /nfs/dbraw/zinc/79/51/29/630795129.db2.gz GMXGPNDUGNPXMN-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CC3Cc4ccccc4C3)C2)CC1 ZINC000811500616 631075321 /nfs/dbraw/zinc/07/53/21/631075321.db2.gz IXXLCGCDUORUEN-UHFFFAOYSA-N 2 1 298.474 3.209 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]c2cc(OC)ccc12 ZINC000811803822 631120212 /nfs/dbraw/zinc/12/02/12/631120212.db2.gz SUPOHJZWDQZOBS-CYBMUJFWSA-N 2 1 287.407 3.386 20 0 CGADMP c1csc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000843386387 635656692 /nfs/dbraw/zinc/65/66/92/635656692.db2.gz GURAEDHIWHENHW-LSDHHAIUSA-N 2 1 278.465 3.002 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2C)CC1 ZINC000815553802 631794086 /nfs/dbraw/zinc/79/40/86/631794086.db2.gz KDCVTJNADOBUDF-ZDUSSCGKSA-N 2 1 264.388 3.269 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817907681 632233277 /nfs/dbraw/zinc/23/32/77/632233277.db2.gz HJIQVTOWWHPJAL-SLEUVZQESA-N 2 1 266.816 3.001 20 0 CGADMP N[C@H]1CCCCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817912408 632234028 /nfs/dbraw/zinc/23/40/28/632234028.db2.gz AHOGPIZRZMGUNR-ZWKOTPCHSA-N 2 1 295.515 3.282 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1Cl ZINC000817964391 632259052 /nfs/dbraw/zinc/25/90/52/632259052.db2.gz AYJLJVFDBJNOIW-LLVKDONJSA-N 2 1 282.815 3.189 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817973583 632265870 /nfs/dbraw/zinc/26/58/70/632265870.db2.gz VJUIFJGJMURIBA-NOZJJQNGSA-N 2 1 286.391 3.316 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000817981240 632271791 /nfs/dbraw/zinc/27/17/91/632271791.db2.gz HVXNFIAJHROGMO-BLLLJJGKSA-N 2 1 264.388 3.302 20 0 CGADMP CCCCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000817982636 632273186 /nfs/dbraw/zinc/27/31/86/632273186.db2.gz UVWVDFJWSFHUMR-MSOLQXFVSA-N 2 1 290.451 3.276 20 0 CGADMP C[N@H+]1CCC[C@]2(CCN(c3cc[nH+]cc3C(F)(F)F)C2)C1 ZINC000865835104 632907196 /nfs/dbraw/zinc/90/71/96/632907196.db2.gz YTYRJFAPEPWWSW-AWEZNQCLSA-N 2 1 299.340 3.023 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879997914 635894462 /nfs/dbraw/zinc/89/44/62/635894462.db2.gz YAXUGUPQWZQMGD-PKOBYXMFSA-N 2 1 284.447 3.061 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879997914 635894465 /nfs/dbraw/zinc/89/44/65/635894465.db2.gz YAXUGUPQWZQMGD-PKOBYXMFSA-N 2 1 284.447 3.061 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879997914 635894469 /nfs/dbraw/zinc/89/44/69/635894469.db2.gz YAXUGUPQWZQMGD-PKOBYXMFSA-N 2 1 284.447 3.061 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866361947 633100732 /nfs/dbraw/zinc/10/07/32/633100732.db2.gz WEDKANSGHSFVMD-HZPDHXFCSA-N 2 1 277.456 3.113 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866361947 633100736 /nfs/dbraw/zinc/10/07/36/633100736.db2.gz WEDKANSGHSFVMD-HZPDHXFCSA-N 2 1 277.456 3.113 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000866703886 633234400 /nfs/dbraw/zinc/23/44/00/633234400.db2.gz PWALDJVGJVHZKQ-MRXNPFEDSA-N 2 1 264.388 3.023 20 0 CGADMP CO[C@H](C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccccc1 ZINC000866706439 633234542 /nfs/dbraw/zinc/23/45/42/633234542.db2.gz BPKJBLMIGPTRPS-SJLPKXTDSA-N 2 1 290.451 3.071 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000866710324 633235417 /nfs/dbraw/zinc/23/54/17/633235417.db2.gz YLXBNIRDMWWFJI-GXTWGEPZSA-N 2 1 274.399 3.119 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000123594737 633763335 /nfs/dbraw/zinc/76/33/35/633763335.db2.gz HLUJXQBJMBNVBX-UHFFFAOYSA-N 2 1 272.392 3.443 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)CCCCCC[NH3+])cc1C ZINC000846217874 636161274 /nfs/dbraw/zinc/16/12/74/636161274.db2.gz HTKMMSSGBXAWNR-UHFFFAOYSA-N 2 1 278.440 3.263 20 0 CGADMP COCC[C@H](C)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155978 634065589 /nfs/dbraw/zinc/06/55/89/634065589.db2.gz BTSKDBQYSAWDJG-ZOBUZTSGSA-N 2 1 282.472 3.031 20 0 CGADMP COCCCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156102 634065845 /nfs/dbraw/zinc/06/58/45/634065845.db2.gz DVWSOAYUAFMZOA-DOTOQJQBSA-N 2 1 282.472 3.033 20 0 CGADMP Cc1nocc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158300 634069841 /nfs/dbraw/zinc/06/98/41/634069841.db2.gz UUKRWRVIVCRFPB-RHSMWYFYSA-N 2 1 291.439 3.103 20 0 CGADMP c1c[nH+]c([C@H]2CCCN(c3cc[nH+]cc3C3CC3)C2)[nH]1 ZINC000872440921 634145745 /nfs/dbraw/zinc/14/57/45/634145745.db2.gz CFASSPNYUBISRW-ZDUSSCGKSA-N 2 1 268.364 3.066 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000873223726 634290614 /nfs/dbraw/zinc/29/06/14/634290614.db2.gz RPOYCPARCMKLTP-LJQANCHMSA-N 2 1 297.446 3.432 20 0 CGADMP COc1ccccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000019912873 634375534 /nfs/dbraw/zinc/37/55/34/634375534.db2.gz NPFMXIUGYFZIJY-HNNXBMFYSA-N 2 1 276.424 3.049 20 0 CGADMP COc1ccccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019912873 634375540 /nfs/dbraw/zinc/37/55/40/634375540.db2.gz NPFMXIUGYFZIJY-HNNXBMFYSA-N 2 1 276.424 3.049 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccnc1Cl ZINC000840807861 635055976 /nfs/dbraw/zinc/05/59/76/635055976.db2.gz HETQRPNAHYKONF-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000840809164 635056012 /nfs/dbraw/zinc/05/60/12/635056012.db2.gz PSWGMSGYHMEBMD-GJZGRUSLSA-N 2 1 288.435 3.004 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000841029556 635109055 /nfs/dbraw/zinc/10/90/55/635109055.db2.gz WEZNYOURTZDDBS-LBPRGKRZSA-N 2 1 290.354 3.125 20 0 CGADMP CCCCCCOc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000841059402 635116420 /nfs/dbraw/zinc/11/64/20/635116420.db2.gz BQQFQCLVQXPHQJ-CQSZACIVSA-N 2 1 264.413 3.083 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841087474 635119844 /nfs/dbraw/zinc/11/98/44/635119844.db2.gz OFOZKAGJPBCRTR-APWZRJJASA-N 2 1 295.430 3.199 20 0 CGADMP COc1cccc2cc(C[NH2+][C@H](C[NH3+])C3CCCC3)oc21 ZINC000841086181 635119975 /nfs/dbraw/zinc/11/99/75/635119975.db2.gz FUFMHQVBHLQRCX-OAHLLOKOSA-N 2 1 288.391 3.049 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000878047505 635337253 /nfs/dbraw/zinc/33/72/53/635337253.db2.gz ILAJAKBVCSVMAJ-KRWDZBQOSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@]1(c2ccccc2)C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000842473066 635378310 /nfs/dbraw/zinc/37/83/10/635378310.db2.gz NHSCHMVEHFFPQF-GOSISDBHSA-N 2 1 290.451 3.143 20 0 CGADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842476075 635378408 /nfs/dbraw/zinc/37/84/08/635378408.db2.gz GGPQGDXGOAKPQH-CRAIPNDOSA-N 2 1 290.451 3.220 20 0 CGADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000842476893 635379464 /nfs/dbraw/zinc/37/94/64/635379464.db2.gz VQRKRSOOFWWTRH-INIZCTEOSA-N 2 1 292.471 3.339 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCCC(C)(C)O3)C2)CC1 ZINC000878549929 635553666 /nfs/dbraw/zinc/55/36/66/635553666.db2.gz ROTBBLIGIWZAGJ-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)C[N@@H+](CCOC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879702145 635839001 /nfs/dbraw/zinc/83/90/01/635839001.db2.gz HSYTZBLDRXDWDX-UHFFFAOYSA-N 2 1 284.488 3.101 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539329 636018195 /nfs/dbraw/zinc/01/81/95/636018195.db2.gz VMHCPMWRSQMZTB-DAYGRLMNSA-N 2 1 270.420 3.405 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539329 636018196 /nfs/dbraw/zinc/01/81/96/636018196.db2.gz VMHCPMWRSQMZTB-DAYGRLMNSA-N 2 1 270.420 3.405 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539329 636018200 /nfs/dbraw/zinc/01/82/00/636018200.db2.gz VMHCPMWRSQMZTB-DAYGRLMNSA-N 2 1 270.420 3.405 20 0 CGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1OC ZINC000846843017 636257300 /nfs/dbraw/zinc/25/73/00/636257300.db2.gz LLVMONMNEVQMOR-MRXNPFEDSA-N 2 1 287.407 3.102 20 0 CGADMP CCC[C@@H](C)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883257583 636627107 /nfs/dbraw/zinc/62/71/07/636627107.db2.gz FWXGEOQRWODLJR-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)CC1(C)C ZINC000883264967 636634641 /nfs/dbraw/zinc/63/46/41/636634641.db2.gz OOIGEDFQRQTKKC-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CCCC2(C)C)c1 ZINC000849039016 636727460 /nfs/dbraw/zinc/72/74/60/636727460.db2.gz CYMMSPVXUAKYAF-UHFFFAOYSA-N 2 1 288.439 3.114 20 0 CGADMP c1ccc([C@H]2CSCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000883411620 636747076 /nfs/dbraw/zinc/74/70/76/636747076.db2.gz CZEOCEKRNBEZLA-QGZVFWFLSA-N 2 1 290.476 3.166 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000883430246 636753128 /nfs/dbraw/zinc/75/31/28/636753128.db2.gz QESPTXKEDRAOOP-ZNMIVQPWSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000850359402 637028336 /nfs/dbraw/zinc/02/83/36/637028336.db2.gz GZDCAQIQGCVKPU-KBAYOESNSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000850359402 637028339 /nfs/dbraw/zinc/02/83/39/637028339.db2.gz GZDCAQIQGCVKPU-KBAYOESNSA-N 2 1 270.420 3.348 20 0 CGADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000850385989 637042668 /nfs/dbraw/zinc/04/26/68/637042668.db2.gz DSDPKJPQLARYCR-WNHJNPCNSA-N 2 1 299.462 3.009 20 0 CGADMP Cc1coc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000885922299 637313689 /nfs/dbraw/zinc/31/36/89/637313689.db2.gz ACXJZSOHIZMPRN-HNNXBMFYSA-N 2 1 264.413 3.332 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000219229383 637512249 /nfs/dbraw/zinc/51/22/49/637512249.db2.gz DNNWZRBITWLBFH-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000219229383 637512255 /nfs/dbraw/zinc/51/22/55/637512255.db2.gz DNNWZRBITWLBFH-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@@H]2CCC[C@@H]21 ZINC000886658339 637635602 /nfs/dbraw/zinc/63/56/02/637635602.db2.gz YEDQDOKWJUNIDF-UBHSHLNASA-N 2 1 284.856 3.364 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@@H]2CCC[C@@H]21 ZINC000886658339 637635606 /nfs/dbraw/zinc/63/56/06/637635606.db2.gz YEDQDOKWJUNIDF-UBHSHLNASA-N 2 1 284.856 3.364 20 0 CGADMP CO[C@@H](C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)C1CCC1 ZINC000886659882 637637898 /nfs/dbraw/zinc/63/78/98/637637898.db2.gz XSUVCGQGUOSCSG-INIZCTEOSA-N 2 1 291.439 3.021 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCC(F)(F)F)CC2)[nH+]c1C ZINC000886663319 637639098 /nfs/dbraw/zinc/63/90/98/637639098.db2.gz XZICOJBXUIZKFD-UHFFFAOYSA-N 2 1 275.318 3.158 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCCCC[NH3+])CC3 ZINC000852756123 637707139 /nfs/dbraw/zinc/70/71/39/637707139.db2.gz UTOZMEMHIXYWOZ-UHFFFAOYSA-N 2 1 285.435 3.354 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873913 637714996 /nfs/dbraw/zinc/71/49/96/637714996.db2.gz BERFJACXAGBVSE-DZGCQCFKSA-N 2 1 274.399 3.133 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873960 637715418 /nfs/dbraw/zinc/71/54/18/637715418.db2.gz CJJJMVCWPKICAJ-STQMWFEESA-N 2 1 291.266 3.036 20 0 CGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873957 637715870 /nfs/dbraw/zinc/71/58/70/637715870.db2.gz CJJJMVCWPKICAJ-CHWSQXEVSA-N 2 1 291.266 3.036 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000221827104 637754227 /nfs/dbraw/zinc/75/42/27/637754227.db2.gz VULUJCGDNFICJC-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853248408 637793489 /nfs/dbraw/zinc/79/34/89/637793489.db2.gz GACMFEJKBSRRMW-BBRMVZONSA-N 2 1 276.424 3.036 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000274294243 638219804 /nfs/dbraw/zinc/21/98/04/638219804.db2.gz RRHRXRPFLZJZDO-QZTJIDSGSA-N 2 1 284.447 3.420 20 0 CGADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924606364 638373926 /nfs/dbraw/zinc/37/39/26/638373926.db2.gz KZUHTBGUNUQUMM-INIZCTEOSA-N 2 1 299.418 3.212 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)[NH+](C)C ZINC000924633207 638380228 /nfs/dbraw/zinc/38/02/28/638380228.db2.gz OOMUSECQERXAAM-MSOLQXFVSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667266 638385970 /nfs/dbraw/zinc/38/59/70/638385970.db2.gz KRXMJOVEUSAYOU-YZDRTPDPSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@H+]1CCC[C@@H](C)C1 ZINC000924667266 638385978 /nfs/dbraw/zinc/38/59/78/638385978.db2.gz KRXMJOVEUSAYOU-YZDRTPDPSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1(Cl)CC1 ZINC000924689427 638389691 /nfs/dbraw/zinc/38/96/91/638389691.db2.gz XQDZCYBBMQNLLN-KBPBESRZSA-N 2 1 272.864 3.248 20 0 CGADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCCC1 ZINC000925278607 638489775 /nfs/dbraw/zinc/48/97/75/638489775.db2.gz RGHMHNIWLBMZPW-ALOPSCKCSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CC3(C2)CCCC3)C[C@H](C)O1 ZINC000925439010 638503341 /nfs/dbraw/zinc/50/33/41/638503341.db2.gz HCUPSXHVTPLWIJ-IYBDPMFKSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C[NH+](C)C)c1 ZINC000925550473 638525956 /nfs/dbraw/zinc/52/59/56/638525956.db2.gz MVPZAGDYQYVMII-SUMWQHHRSA-N 2 1 298.434 3.200 20 0 CGADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000925583437 638536932 /nfs/dbraw/zinc/53/69/32/638536932.db2.gz LCQGQSHVLWJILV-NWDGAFQWSA-N 2 1 279.453 3.016 20 0 CGADMP C[C@H]([NH2+]Cc1ncccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925595775 638540658 /nfs/dbraw/zinc/54/06/58/638540658.db2.gz BCOJQXFSPJXZAK-ZDUSSCGKSA-N 2 1 287.382 3.133 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCc1cccs1)c1ccccc1 ZINC000925629951 638548651 /nfs/dbraw/zinc/54/86/51/638548651.db2.gz NMMLPHMQYGEUBM-CZUORRHYSA-N 2 1 274.433 3.359 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccccc1 ZINC000925659973 638560500 /nfs/dbraw/zinc/56/05/00/638560500.db2.gz GOOLOIUCNHLKFM-WFASDCNBSA-N 2 1 282.378 3.490 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857907405 638599622 /nfs/dbraw/zinc/59/96/22/638599622.db2.gz NXGUSDFUOPIOJP-BFHYXJOUSA-N 2 1 293.842 3.185 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000925761215 638601594 /nfs/dbraw/zinc/60/15/94/638601594.db2.gz XNKHWGZKXFGLBU-OAHLLOKOSA-N 2 1 279.403 3.121 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925781002 638612583 /nfs/dbraw/zinc/61/25/83/638612583.db2.gz HAHSUMLHDQKBNJ-YPMHNXCESA-N 2 1 298.377 3.128 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1coc2ccccc12 ZINC000925808566 638619740 /nfs/dbraw/zinc/61/97/40/638619740.db2.gz YVNPYOKTEFJBJY-QWHCGFSZSA-N 2 1 281.359 3.295 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)cc2c1OCC2 ZINC000925890368 638645548 /nfs/dbraw/zinc/64/55/48/638645548.db2.gz OSOSXJZCSHONGW-BXUZGUMPSA-N 2 1 294.826 3.068 20 0 CGADMP C[N@@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)CC1(C)C ZINC000858417883 638709969 /nfs/dbraw/zinc/70/99/69/638709969.db2.gz FANCHNKDECCVBS-CQSZACIVSA-N 2 1 259.397 3.244 20 0 CGADMP C[N@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)CC1(C)C ZINC000858417883 638709970 /nfs/dbraw/zinc/70/99/70/638709970.db2.gz FANCHNKDECCVBS-CQSZACIVSA-N 2 1 259.397 3.244 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1coc2ccccc12 ZINC000926207620 638740920 /nfs/dbraw/zinc/74/09/20/638740920.db2.gz UBWGDJCCVRWJQY-LBPRGKRZSA-N 2 1 269.348 3.060 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926440077 638771740 /nfs/dbraw/zinc/77/17/40/638771740.db2.gz VZWDXPWUFLJOSU-AVOUXACISA-N 2 1 270.486 3.123 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926440077 638771743 /nfs/dbraw/zinc/77/17/43/638771743.db2.gz VZWDXPWUFLJOSU-AVOUXACISA-N 2 1 270.486 3.123 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926755199 638807365 /nfs/dbraw/zinc/80/73/65/638807365.db2.gz VFBNKWVOXAUBNR-HIFRSBDPSA-N 2 1 252.446 3.133 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000926903017 638823300 /nfs/dbraw/zinc/82/33/00/638823300.db2.gz CYAQHXXCEKLBDE-YCPHGPKFSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000926903017 638823302 /nfs/dbraw/zinc/82/33/02/638823302.db2.gz CYAQHXXCEKLBDE-YCPHGPKFSA-N 2 1 276.424 3.137 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000927035105 638834341 /nfs/dbraw/zinc/83/43/41/638834341.db2.gz FHDPJQALRABCBA-WCVJEAGWSA-N 2 1 294.508 3.267 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929778732 638949677 /nfs/dbraw/zinc/94/96/77/638949677.db2.gz VDZPNJXRPDWWMU-QGZVFWFLSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2CF)CCN1C ZINC000929779572 638950366 /nfs/dbraw/zinc/95/03/66/638950366.db2.gz BJDVMLHUIVCPTA-CZUORRHYSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2CF)CC[NH+]1C ZINC000929779572 638950369 /nfs/dbraw/zinc/95/03/69/638950369.db2.gz BJDVMLHUIVCPTA-CZUORRHYSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2CF)CC[NH+]1C ZINC000929779572 638950371 /nfs/dbraw/zinc/95/03/71/638950371.db2.gz BJDVMLHUIVCPTA-CZUORRHYSA-N 2 1 264.388 3.071 20 0 CGADMP CC(C)CSCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310342 639133527 /nfs/dbraw/zinc/13/35/27/639133527.db2.gz DGVKHYQVIDFMLX-IYBDPMFKSA-N 2 1 284.513 3.039 20 0 CGADMP CC(C)CSCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310342 639133531 /nfs/dbraw/zinc/13/35/31/639133531.db2.gz DGVKHYQVIDFMLX-IYBDPMFKSA-N 2 1 284.513 3.039 20 0 CGADMP CC(C)CSCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310342 639133533 /nfs/dbraw/zinc/13/35/33/639133533.db2.gz DGVKHYQVIDFMLX-IYBDPMFKSA-N 2 1 284.513 3.039 20 0 CGADMP CC(C)CSCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310342 639133535 /nfs/dbraw/zinc/13/35/35/639133535.db2.gz DGVKHYQVIDFMLX-IYBDPMFKSA-N 2 1 284.513 3.039 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](Cc2ccccc2CF)CC1 ZINC000931356775 639140876 /nfs/dbraw/zinc/14/08/76/639140876.db2.gz MRHSDCPAJNKKDH-UHFFFAOYSA-N 2 1 264.388 3.072 20 0 CGADMP c1cc(C[NH2+]CCC[NH+]2CCCCC2)c2c(c1)CCCN2 ZINC000159315133 640039157 /nfs/dbraw/zinc/03/91/57/640039157.db2.gz XTVDXGJNMUNWDC-UHFFFAOYSA-N 2 1 287.451 3.010 20 0 CGADMP C[N@@H+](Cc1cc(-c2ccccc2)on1)C1CCC([NH3+])CC1 ZINC000091847765 640725082 /nfs/dbraw/zinc/72/50/82/640725082.db2.gz NMASEBFCJDLYSJ-UHFFFAOYSA-N 2 1 285.391 3.043 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)o1 ZINC000093563991 640776286 /nfs/dbraw/zinc/77/62/86/640776286.db2.gz YRANQEHBDXUDNH-QGZVFWFLSA-N 2 1 276.424 3.347 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)o1 ZINC000093563991 640776289 /nfs/dbraw/zinc/77/62/89/640776289.db2.gz YRANQEHBDXUDNH-QGZVFWFLSA-N 2 1 276.424 3.347 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H]2CCC=CO2)C1 ZINC000248825569 640780892 /nfs/dbraw/zinc/78/08/92/640780892.db2.gz GBWHZLTVBWMTHU-IXDOHACOSA-N 2 1 280.456 3.027 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000250324198 640812422 /nfs/dbraw/zinc/81/24/22/640812422.db2.gz NQEXJIJDAQQBDR-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP Nc1cc[nH+]c(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001155955695 805628634 /nfs/dbraw/zinc/62/86/34/805628634.db2.gz CKMRTIMESQYFNV-UHFFFAOYSA-N 2 1 270.380 3.269 20 0 CGADMP Cc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001158259689 805929353 /nfs/dbraw/zinc/92/93/53/805929353.db2.gz QQHVFYKFLWPZMB-CZUORRHYSA-N 2 1 261.413 3.346 20 0 CGADMP CCc1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001158266854 805932011 /nfs/dbraw/zinc/93/20/11/805932011.db2.gz UTIIPRDIUSINRD-YOEHRIQHSA-N 2 1 290.455 3.303 20 0 CGADMP CCc1ccc(C)[nH+]c1Nc1cccc(OCC[NH3+])c1 ZINC001159107910 806042483 /nfs/dbraw/zinc/04/24/83/806042483.db2.gz XOLGOFYDTLAUAA-UHFFFAOYSA-N 2 1 271.364 3.034 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001252494439 806051839 /nfs/dbraw/zinc/05/18/39/806051839.db2.gz FLCKLADLQANMLS-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001252494439 806051849 /nfs/dbraw/zinc/05/18/49/806051849.db2.gz FLCKLADLQANMLS-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP c1ccc(-c2cc(NC3=C[NH2+]CCC3)cc[nH+]2)cc1 ZINC001159198028 806057670 /nfs/dbraw/zinc/05/76/70/806057670.db2.gz LMEPJCJMPHKHSK-UHFFFAOYSA-N 2 1 251.333 3.385 20 0 CGADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC001253206060 806182521 /nfs/dbraw/zinc/18/25/21/806182521.db2.gz KHILMARFKQGRTE-MSOLQXFVSA-N 2 1 292.467 3.066 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1cccc(Cl)c1 ZINC001253211409 806182851 /nfs/dbraw/zinc/18/28/51/806182851.db2.gz VSYDSXGBMJILLJ-JKSUJKDBSA-N 2 1 298.858 3.083 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cc1Cl ZINC001253407042 806215841 /nfs/dbraw/zinc/21/58/41/806215841.db2.gz CERREZVICSQUMI-JSGCOSHPSA-N 2 1 298.858 3.048 20 0 CGADMP CCCCC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001253546800 806246909 /nfs/dbraw/zinc/24/69/09/806246909.db2.gz AGDRIEXKEFTTNQ-ROUUACIJSA-N 2 1 292.467 3.210 20 0 CGADMP CCc1nc(NC2CC[NH+](C(CC)CC)CC2)cc(C)[nH+]1 ZINC001161100881 806349736 /nfs/dbraw/zinc/34/97/36/806349736.db2.gz WYBDNIODZUJKKB-UHFFFAOYSA-N 2 1 290.455 3.412 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC001254216861 806367213 /nfs/dbraw/zinc/36/72/13/806367213.db2.gz NXNACMNDMKBXNO-JSGCOSHPSA-N 2 1 274.399 3.273 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC2(CC2)CC1 ZINC001254449806 806403083 /nfs/dbraw/zinc/40/30/83/806403083.db2.gz VVKRQOHFHRPEGA-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453585 806406088 /nfs/dbraw/zinc/40/60/88/806406088.db2.gz JWRRHKMZCIVYOY-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453585 806406093 /nfs/dbraw/zinc/40/60/93/806406093.db2.gz JWRRHKMZCIVYOY-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453585 806406098 /nfs/dbraw/zinc/40/60/98/806406098.db2.gz JWRRHKMZCIVYOY-CXAGYDPISA-N 2 1 296.405 3.169 20 0 CGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254503296 806423326 /nfs/dbraw/zinc/42/33/26/806423326.db2.gz LULWWLXXRAYFLH-IAGOWNOFSA-N 2 1 290.451 3.145 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC001254500115 806421644 /nfs/dbraw/zinc/42/16/44/806421644.db2.gz FLGGGLYTUSHCKI-HOTGVXAUSA-N 2 1 264.388 3.351 20 0 CGADMP C[N@H+]1CCC[C@@H](n2cc(C[NH3+])c3cc(Cl)ccc32)CC1 ZINC001254505995 806424851 /nfs/dbraw/zinc/42/48/51/806424851.db2.gz NDFSGEKXOCXTDN-CQSZACIVSA-N 2 1 291.826 3.410 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001254505302 806425410 /nfs/dbraw/zinc/42/54/10/806425410.db2.gz FLSKBDZZCYTWDT-SFHVURJKSA-N 2 1 295.430 3.323 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001254505255 806425557 /nfs/dbraw/zinc/42/55/57/806425557.db2.gz DPEYGPWYZKICPY-BLLLJJGKSA-N 2 1 280.362 3.026 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccccc3)CCC2)CC1 ZINC001254507820 806426886 /nfs/dbraw/zinc/42/68/86/806426886.db2.gz NFMWUGSWCGFRJE-INIZCTEOSA-N 2 1 258.409 3.140 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c(F)c1F ZINC001254508192 806428051 /nfs/dbraw/zinc/42/80/51/806428051.db2.gz HZCZRXDFENERPG-QWHCGFSZSA-N 2 1 282.378 3.408 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c(F)c1F ZINC001254508192 806428054 /nfs/dbraw/zinc/42/80/54/806428054.db2.gz HZCZRXDFENERPG-QWHCGFSZSA-N 2 1 282.378 3.408 20 0 CGADMP CCC1([NH2+][C@H]2CCC[N@@H+](C)CC2)CCC(F)(F)CC1 ZINC001254511665 806430212 /nfs/dbraw/zinc/43/02/12/806430212.db2.gz BYCLDSOFWZORQL-ZDUSSCGKSA-N 2 1 274.399 3.418 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCCCc2ccccc2)CC1 ZINC001254510767 806431287 /nfs/dbraw/zinc/43/12/87/806431287.db2.gz XWQIUANBSCJKIK-KRWDZBQOSA-N 2 1 260.425 3.083 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)CC1 ZINC001254514126 806434467 /nfs/dbraw/zinc/43/44/67/806434467.db2.gz JFCFJECPHLUHLX-DLBZAZTESA-N 2 1 272.436 3.180 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC001254515066 806434492 /nfs/dbraw/zinc/43/44/92/806434492.db2.gz RTVXZWBGYCCDKP-XHDPSFHLSA-N 2 1 280.362 3.026 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC001254515066 806434499 /nfs/dbraw/zinc/43/44/99/806434499.db2.gz RTVXZWBGYCCDKP-XHDPSFHLSA-N 2 1 280.362 3.026 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001254514369 806434720 /nfs/dbraw/zinc/43/47/20/806434720.db2.gz KUEQGKRXHXSCJN-JYJNAYRXSA-N 2 1 278.827 3.270 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCCc3ccccc32)CC1 ZINC001254514129 806434901 /nfs/dbraw/zinc/43/49/01/806434901.db2.gz JFCFJECPHLUHLX-SJORKVTESA-N 2 1 272.436 3.180 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)CC1 ZINC001254514660 806434919 /nfs/dbraw/zinc/43/49/19/806434919.db2.gz NNCWLGJPZQSVGU-JHJVBQTASA-N 2 1 278.362 3.181 20 0 CGADMP C[C@H]([NH3+])c1cn([C@@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254515552 806435868 /nfs/dbraw/zinc/43/58/68/806435868.db2.gz YGEFBLSOAFTXBN-UONOGXRCSA-N 2 1 271.408 3.318 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525467 806439266 /nfs/dbraw/zinc/43/92/66/806439266.db2.gz JHDAQFNRNMGISC-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525467 806439269 /nfs/dbraw/zinc/43/92/69/806439269.db2.gz JHDAQFNRNMGISC-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525467 806439276 /nfs/dbraw/zinc/43/92/76/806439276.db2.gz JHDAQFNRNMGISC-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1Cc2ccccc2C1 ZINC001255014602 806526366 /nfs/dbraw/zinc/52/63/66/806526366.db2.gz BCULACMGHQBFKQ-INIZCTEOSA-N 2 1 294.442 3.251 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC001255059242 806534490 /nfs/dbraw/zinc/53/44/90/806534490.db2.gz UVTQENSTBMXJDB-OLZOCXBDSA-N 2 1 282.453 3.139 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC001255059242 806534496 /nfs/dbraw/zinc/53/44/96/806534496.db2.gz UVTQENSTBMXJDB-OLZOCXBDSA-N 2 1 282.453 3.139 20 0 CGADMP CC(C)c1cccc(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]1 ZINC001162457784 806589088 /nfs/dbraw/zinc/58/90/88/806589088.db2.gz RGNPFWKFLKJCDQ-KGLIPLIRSA-N 2 1 261.413 3.253 20 0 CGADMP Cc1cc([NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)ccc1N(C)C ZINC001162472416 806594329 /nfs/dbraw/zinc/59/43/29/806594329.db2.gz XKVUSZFEDYRLNB-LSDHHAIUSA-N 2 1 275.440 3.109 20 0 CGADMP CC1(C)CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001255309166 806605009 /nfs/dbraw/zinc/60/50/09/806605009.db2.gz VGKSCNVXYWOUFM-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CCCC[C@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255321764 806610310 /nfs/dbraw/zinc/61/03/10/806610310.db2.gz WPSZVGJATNDPRA-JYJNAYRXSA-N 2 1 282.472 3.316 20 0 CGADMP c1coc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255378220 806628466 /nfs/dbraw/zinc/62/84/66/806628466.db2.gz NDJMVQXBRAYSFW-KRWDZBQOSA-N 2 1 284.403 3.424 20 0 CGADMP c1coc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255378220 806628471 /nfs/dbraw/zinc/62/84/71/806628471.db2.gz NDJMVQXBRAYSFW-KRWDZBQOSA-N 2 1 284.403 3.424 20 0 CGADMP COC1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001255458253 806644894 /nfs/dbraw/zinc/64/48/94/806644894.db2.gz KAXYNBJWIVSXFV-AOCRQIFASA-N 2 1 294.483 3.284 20 0 CGADMP CCCC(C[NH3+])(CCC)Nc1cc(CC)[nH+]c(C)n1 ZINC001163038846 806694910 /nfs/dbraw/zinc/69/49/10/806694910.db2.gz SCKVKHGALRIIRP-UHFFFAOYSA-N 2 1 264.417 3.057 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000037150073 798860528 /nfs/dbraw/zinc/86/05/28/798860528.db2.gz UVNSVIDVSHJEJT-UHFFFAOYSA-N 2 1 252.427 3.102 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H](C)CC(F)(F)F)CC1 ZINC001255658554 806696919 /nfs/dbraw/zinc/69/69/19/806696919.db2.gz SDRVRAOGSZFELQ-LBPRGKRZSA-N 2 1 280.378 3.380 20 0 CGADMP Cc1ccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001255664045 806699260 /nfs/dbraw/zinc/69/92/60/806699260.db2.gz VXTNCJKEWYWMOT-YQQQUEKLSA-N 2 1 286.463 3.451 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001255668235 806700421 /nfs/dbraw/zinc/70/04/21/806700421.db2.gz HXJZOPYEELMTDS-HNSVSWJLSA-N 2 1 273.424 3.056 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255673919 806702856 /nfs/dbraw/zinc/70/28/56/806702856.db2.gz HYJLUDLTDKWBGH-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255673919 806702860 /nfs/dbraw/zinc/70/28/60/806702860.db2.gz HYJLUDLTDKWBGH-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255673919 806702864 /nfs/dbraw/zinc/70/28/64/806702864.db2.gz HYJLUDLTDKWBGH-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255673919 806702865 /nfs/dbraw/zinc/70/28/65/806702865.db2.gz HYJLUDLTDKWBGH-JZWPEALZSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC001255722014 806719842 /nfs/dbraw/zinc/71/98/42/806719842.db2.gz VPZYJDMOWZKWSM-MJBXVCDLSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC001255722014 806719846 /nfs/dbraw/zinc/71/98/46/806719846.db2.gz VPZYJDMOWZKWSM-MJBXVCDLSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC001255722014 806719851 /nfs/dbraw/zinc/71/98/51/806719851.db2.gz VPZYJDMOWZKWSM-MJBXVCDLSA-N 2 1 290.373 3.135 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000300525430 799205138 /nfs/dbraw/zinc/20/51/38/799205138.db2.gz YGDIJQXCUKVNJF-YVEFUNNKSA-N 2 1 260.425 3.029 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000312037382 799226479 /nfs/dbraw/zinc/22/64/79/799226479.db2.gz UJNZZSGBRJYWJH-CYBMUJFWSA-N 2 1 268.351 3.185 20 0 CGADMP CCc1nc(C[N@H+](C)CCCCCCC[NH3+])cs1 ZINC000328420404 799251591 /nfs/dbraw/zinc/25/15/91/799251591.db2.gz ZATQTLHSEQHCSF-UHFFFAOYSA-N 2 1 269.458 3.047 20 0 CGADMP CCc1nc(C[N@@H+](C)CCCCCCC[NH3+])cs1 ZINC000328420404 799251596 /nfs/dbraw/zinc/25/15/96/799251596.db2.gz ZATQTLHSEQHCSF-UHFFFAOYSA-N 2 1 269.458 3.047 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001255750288 806733357 /nfs/dbraw/zinc/73/33/57/806733357.db2.gz MOWBRKYMGTUUDS-CVEARBPZSA-N 2 1 292.492 3.407 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000381451578 799379984 /nfs/dbraw/zinc/37/99/84/799379984.db2.gz GZWYOEYCBRKULK-DYVFJYSZSA-N 2 1 254.377 3.151 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2ccccc21 ZINC000381451578 799379993 /nfs/dbraw/zinc/37/99/93/799379993.db2.gz GZWYOEYCBRKULK-DYVFJYSZSA-N 2 1 254.377 3.151 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2[nH+]ccc3c2ccn3C)[C@H](C)C1 ZINC001163361319 806746261 /nfs/dbraw/zinc/74/62/61/806746261.db2.gz IFSOAISTPBUSNV-HIFRSBDPSA-N 2 1 286.423 3.104 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(C)c1 ZINC000389184930 799461141 /nfs/dbraw/zinc/46/11/41/799461141.db2.gz ZHFDFFHEIFMJMH-MRXNPFEDSA-N 2 1 260.425 3.173 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC000403292683 799565310 /nfs/dbraw/zinc/56/53/10/799565310.db2.gz IHKXWYKWEGXOPG-HNNXBMFYSA-N 2 1 282.378 3.226 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC000403292683 799565313 /nfs/dbraw/zinc/56/53/13/799565313.db2.gz IHKXWYKWEGXOPG-HNNXBMFYSA-N 2 1 282.378 3.226 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001255851724 806769132 /nfs/dbraw/zinc/76/91/32/806769132.db2.gz VJAJZUVEGSRLFE-HNNXBMFYSA-N 2 1 278.415 3.174 20 0 CGADMP C[C@@H](Cc1ccccc1F)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001255855267 806770548 /nfs/dbraw/zinc/77/05/48/806770548.db2.gz UYWCVOVZANOROV-ZDUSSCGKSA-N 2 1 287.382 3.293 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000687979653 799743076 /nfs/dbraw/zinc/74/30/76/799743076.db2.gz BVXTYCUMXPYHNK-UHFFFAOYSA-N 2 1 272.417 3.026 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000702668592 799912118 /nfs/dbraw/zinc/91/21/18/799912118.db2.gz APZMCXAZPXRFKI-YHXWVGAOSA-N 2 1 262.441 3.014 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC000702668592 799912125 /nfs/dbraw/zinc/91/21/25/799912125.db2.gz APZMCXAZPXRFKI-YHXWVGAOSA-N 2 1 262.441 3.014 20 0 CGADMP CC[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703804853 799929718 /nfs/dbraw/zinc/92/97/18/799929718.db2.gz JGLKGNACCRXLKV-ALOPSCKCSA-N 2 1 258.409 3.039 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001255940311 806790420 /nfs/dbraw/zinc/79/04/20/806790420.db2.gz WVDFRXRSOWCWTO-GFCCVEGCSA-N 2 1 270.367 3.175 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC1(F)CCCCC1 ZINC001255941676 806790432 /nfs/dbraw/zinc/79/04/32/806790432.db2.gz WTCQRFFMVWZPNJ-AWEZNQCLSA-N 2 1 258.425 3.369 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1(F)CCCCC1 ZINC001255941677 806790491 /nfs/dbraw/zinc/79/04/91/806790491.db2.gz WTCQRFFMVWZPNJ-CQSZACIVSA-N 2 1 258.425 3.369 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC001255942451 806791348 /nfs/dbraw/zinc/79/13/48/806791348.db2.gz GXHBEFRMVGCCDC-HNNXBMFYSA-N 2 1 285.435 3.445 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000709490615 800009693 /nfs/dbraw/zinc/00/96/93/800009693.db2.gz JLNPXUNGCDCLOC-WFVVYAPDSA-N 2 1 256.393 3.107 20 0 CGADMP CCC[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)C1CC[NH2+]CC1 ZINC000709756032 800016801 /nfs/dbraw/zinc/01/68/01/800016801.db2.gz SNOIDYXNVCECSN-CQSZACIVSA-N 2 1 282.472 3.044 20 0 CGADMP c1ccc(CCCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000709892581 800021890 /nfs/dbraw/zinc/02/18/90/800021890.db2.gz NIEHPXWGIPJFEN-SFHVURJKSA-N 2 1 272.436 3.085 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709871305 800022112 /nfs/dbraw/zinc/02/21/12/800022112.db2.gz UBBWVSLIGWLAJU-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])ccc1F ZINC000710729723 800037871 /nfs/dbraw/zinc/03/78/71/800037871.db2.gz LWVLAOYBRXASJD-UHFFFAOYSA-N 2 1 252.377 3.085 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)[C@@H](C)CC[NH+](CC)CC ZINC001255965076 806802825 /nfs/dbraw/zinc/80/28/25/806802825.db2.gz DKBNEHUVIKVUHB-KRWDZBQOSA-N 2 1 291.483 3.457 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000714316164 800119258 /nfs/dbraw/zinc/11/92/58/800119258.db2.gz QIOUKYVYZHILSV-USXIJHARSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716720977 800179489 /nfs/dbraw/zinc/17/94/89/800179489.db2.gz ZDMHTRKGAJWCDY-WQCNXYOZSA-N 2 1 284.447 3.428 20 0 CGADMP COc1cc(C)c(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC001256070985 806811707 /nfs/dbraw/zinc/81/17/07/806811707.db2.gz KMMSDXIYBQGBDF-UHFFFAOYSA-N 2 1 288.435 3.028 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256076239 806812817 /nfs/dbraw/zinc/81/28/17/806812817.db2.gz FFQILVLOPPLJFL-QGZVFWFLSA-N 2 1 284.447 3.493 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256076239 806812825 /nfs/dbraw/zinc/81/28/25/806812825.db2.gz FFQILVLOPPLJFL-QGZVFWFLSA-N 2 1 284.447 3.493 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H](OC)CC1)[NH+](C)C ZINC000718753642 800221970 /nfs/dbraw/zinc/22/19/70/800221970.db2.gz PEQOBJFDWDVCPG-BBWFWOEESA-N 2 1 284.488 3.290 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCCC2)C[C@@H]1C(F)(F)F ZINC000720858255 800269907 /nfs/dbraw/zinc/26/99/07/800269907.db2.gz SXJGQYQVLCRFPO-STQMWFEESA-N 2 1 278.362 3.026 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723675257 800336814 /nfs/dbraw/zinc/33/68/14/800336814.db2.gz VZZUWCZDYJTNEV-NEPJUHHUSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723701819 800338811 /nfs/dbraw/zinc/33/88/11/800338811.db2.gz RKSPVUHLYCWGDT-NEPJUHHUSA-N 2 1 286.341 3.437 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900371 800344461 /nfs/dbraw/zinc/34/44/61/800344461.db2.gz BGDDJWDEEJWHFJ-FRRDWIJNSA-N 2 1 266.816 3.318 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000822123879 800459603 /nfs/dbraw/zinc/45/96/03/800459603.db2.gz GURIPYNJWOZIJQ-IAGOWNOFSA-N 2 1 260.425 3.082 20 0 CGADMP COc1cccc(C[C@@H](C)n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001256169503 806842751 /nfs/dbraw/zinc/84/27/51/806842751.db2.gz LGFLYDYKAPXSJZ-CQSZACIVSA-N 2 1 299.418 3.162 20 0 CGADMP Cc1[nH+]ccn1CCNc1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001163928355 806852371 /nfs/dbraw/zinc/85/23/71/806852371.db2.gz IAUDFWMOZWJPBS-UHFFFAOYSA-N 2 1 291.358 3.333 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925558566 800630967 /nfs/dbraw/zinc/63/09/67/800630967.db2.gz GJRHZHXKJODEOK-VXGBXAGGSA-N 2 1 281.469 3.262 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2C2CCN(C)CC2)cc1 ZINC001256207539 806848975 /nfs/dbraw/zinc/84/89/75/806848975.db2.gz LORKCXYNERPSHD-QGZVFWFLSA-N 2 1 258.409 3.226 20 0 CGADMP C[NH+](C)Cc1cccc(CNc2[nH+]ccc3cc[nH]c32)c1 ZINC001163998612 806871891 /nfs/dbraw/zinc/87/18/91/806871891.db2.gz HDLLHBHQCXHFTK-UHFFFAOYSA-N 2 1 280.375 3.237 20 0 CGADMP CCC[NH+](CCC)CC[NH2+]C1CCC(OCC)CC1 ZINC001256424625 806892470 /nfs/dbraw/zinc/89/24/70/806892470.db2.gz PTUBSPNTSMXDMN-UHFFFAOYSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(OCC)CC1 ZINC001256429189 806896166 /nfs/dbraw/zinc/89/61/66/806896166.db2.gz GERZTOUETKUCAH-UHFFFAOYSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1[nH+]c2ccc(N(CCC[NH3+])C(C)C)cc2n1C(C)C ZINC001164126663 806897544 /nfs/dbraw/zinc/89/75/44/806897544.db2.gz CVHQMMXEWBWTBM-UHFFFAOYSA-N 2 1 288.439 3.489 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519857 806909063 /nfs/dbraw/zinc/90/90/63/806909063.db2.gz FJDXUGDUIBPVGU-GOEBONIOSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256519857 806909069 /nfs/dbraw/zinc/90/90/69/806909069.db2.gz FJDXUGDUIBPVGU-GOEBONIOSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@@H]1C[C@H](n2cccc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529546 806910931 /nfs/dbraw/zinc/91/09/31/806910931.db2.gz VFCWPHNKTSUBRH-VQIMIIECSA-N 2 1 297.446 3.215 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256528117 806911599 /nfs/dbraw/zinc/91/15/99/806911599.db2.gz XWLRUZSQMOEIKN-DZUCGIPZSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256528117 806911604 /nfs/dbraw/zinc/91/16/04/806911604.db2.gz XWLRUZSQMOEIKN-DZUCGIPZSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)[C@H]1C ZINC001256571508 806919495 /nfs/dbraw/zinc/91/94/95/806919495.db2.gz ITOFHKPSEGUKIT-KGLIPLIRSA-N 2 1 252.446 3.370 20 0 CGADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001256622374 806928129 /nfs/dbraw/zinc/92/81/29/806928129.db2.gz HSYWMASORLTTRP-KTFSGNIMSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001256622374 806928136 /nfs/dbraw/zinc/92/81/36/806928136.db2.gz HSYWMASORLTTRP-KTFSGNIMSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001256622374 806928144 /nfs/dbraw/zinc/92/81/44/806928144.db2.gz HSYWMASORLTTRP-KTFSGNIMSA-N 2 1 270.420 3.231 20 0 CGADMP Cc1ccc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2n1 ZINC001256621011 806928349 /nfs/dbraw/zinc/92/83/49/806928349.db2.gz IIFRYXQGPXRCIC-AYHJJNSGSA-N 2 1 295.430 3.258 20 0 CGADMP Cc1cncc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001256621060 806928888 /nfs/dbraw/zinc/92/88/88/806928888.db2.gz JJCYABJKAJCUDD-HQSKLWIPSA-N 2 1 285.435 3.056 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628852 806932505 /nfs/dbraw/zinc/93/25/05/806932505.db2.gz REVOPDFTJIGJIF-LSVZVQIISA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628852 806932508 /nfs/dbraw/zinc/93/25/08/806932508.db2.gz REVOPDFTJIGJIF-LSVZVQIISA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628852 806932513 /nfs/dbraw/zinc/93/25/13/806932513.db2.gz REVOPDFTJIGJIF-LSVZVQIISA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628852 806932517 /nfs/dbraw/zinc/93/25/17/806932517.db2.gz REVOPDFTJIGJIF-LSVZVQIISA-N 2 1 288.435 3.313 20 0 CGADMP CCc1c[nH]c2nc[nH+]c(N[C@H](C)CC[NH+](CC)CC)c12 ZINC001164394862 806944332 /nfs/dbraw/zinc/94/43/32/806944332.db2.gz USAVXVJILZNYHQ-GFCCVEGCSA-N 2 1 289.427 3.053 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC001116293029 802324853 /nfs/dbraw/zinc/32/48/53/802324853.db2.gz IDPNKWCFKBICCF-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3C3CC3)C[C@H]2CC1 ZINC001275413962 808935270 /nfs/dbraw/zinc/93/52/70/808935270.db2.gz OYTYENKHXNTCRW-CALCHBBNSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2CC1 ZINC001275413962 808935274 /nfs/dbraw/zinc/93/52/74/808935274.db2.gz OYTYENKHXNTCRW-CALCHBBNSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@H]2CC1 ZINC001275413962 808935281 /nfs/dbraw/zinc/93/52/81/808935281.db2.gz OYTYENKHXNTCRW-CALCHBBNSA-N 2 1 284.447 3.338 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118507042 802579292 /nfs/dbraw/zinc/57/92/92/802579292.db2.gz TULZTXRAYYLDDE-ZDUSSCGKSA-N 2 1 274.399 3.133 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(F)cc(F)c1 ZINC001119618440 802685487 /nfs/dbraw/zinc/68/54/87/802685487.db2.gz KJFMPAHPASHKNB-MYFMFCSTSA-N 2 1 294.389 3.317 20 0 CGADMP CC(C)(C)OCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904174 807004649 /nfs/dbraw/zinc/00/46/49/807004649.db2.gz DICMQNAYQZRHTK-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)(C)OCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256904174 807004658 /nfs/dbraw/zinc/00/46/58/807004658.db2.gz DICMQNAYQZRHTK-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201499116 811869267 /nfs/dbraw/zinc/86/92/67/811869267.db2.gz FQOKHAGAACCHMY-ZACQAIPSSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201499116 811869277 /nfs/dbraw/zinc/86/92/77/811869277.db2.gz FQOKHAGAACCHMY-ZACQAIPSSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201499116 811869287 /nfs/dbraw/zinc/86/92/87/811869287.db2.gz FQOKHAGAACCHMY-ZACQAIPSSA-N 2 1 264.457 3.252 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1CCCC2 ZINC001206812227 813444075 /nfs/dbraw/zinc/44/40/75/813444075.db2.gz YIJBXSVJNDIGND-HUUCEWRRSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811892 813442982 /nfs/dbraw/zinc/44/29/82/813442982.db2.gz WOZVGGNYGAUDMM-JKSUJKDBSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1csc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137161706 803692379 /nfs/dbraw/zinc/69/23/79/803692379.db2.gz PTSFIFVYGQLMDZ-AWEZNQCLSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1csc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137161706 803692381 /nfs/dbraw/zinc/69/23/81/803692381.db2.gz PTSFIFVYGQLMDZ-AWEZNQCLSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)[nH]1 ZINC001137327984 803714857 /nfs/dbraw/zinc/71/48/57/803714857.db2.gz NWPBTBVJMLEUKK-KRWDZBQOSA-N 2 1 289.467 3.472 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)[nH]1 ZINC001137327984 803714860 /nfs/dbraw/zinc/71/48/60/803714860.db2.gz NWPBTBVJMLEUKK-KRWDZBQOSA-N 2 1 289.467 3.472 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001137331215 803716208 /nfs/dbraw/zinc/71/62/08/803716208.db2.gz VETXCJYDCDWMNL-DLBZAZTESA-N 2 1 289.467 3.470 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CC2CC2)cc1 ZINC001138543784 803964227 /nfs/dbraw/zinc/96/42/27/803964227.db2.gz URQFMTOEMDXXFW-UHFFFAOYSA-N 2 1 255.365 3.023 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CC2CC2)cc1 ZINC001138543784 803964230 /nfs/dbraw/zinc/96/42/30/803964230.db2.gz URQFMTOEMDXXFW-UHFFFAOYSA-N 2 1 255.365 3.023 20 0 CGADMP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC001138547363 803964940 /nfs/dbraw/zinc/96/49/40/803964940.db2.gz MADSKXBCKNEXFJ-UHFFFAOYSA-N 2 1 287.407 3.038 20 0 CGADMP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC001138547363 803964947 /nfs/dbraw/zinc/96/49/47/803964947.db2.gz MADSKXBCKNEXFJ-UHFFFAOYSA-N 2 1 287.407 3.038 20 0 CGADMP C[N@H+](Cc1cc(F)ccc1Cl)CC1CC[NH+](C)CC1 ZINC001138674569 804000888 /nfs/dbraw/zinc/00/08/88/804000888.db2.gz WIADCMGSFQJAAW-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2ccccc2F)C[C@H](CC)[NH2+]1 ZINC001246073307 804112518 /nfs/dbraw/zinc/11/25/18/804112518.db2.gz XCJWXZSPIUCFDW-KBPBESRZSA-N 2 1 264.388 3.225 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246098002 804129765 /nfs/dbraw/zinc/12/97/65/804129765.db2.gz QVDXAFHNDZEPTJ-BBRMVZONSA-N 2 1 296.480 3.412 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246101350 804133134 /nfs/dbraw/zinc/13/31/34/804133134.db2.gz KKSOAQSSMNXYFD-VDHUWJSZSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106270 804139187 /nfs/dbraw/zinc/13/91/87/804139187.db2.gz PBGQUKQZIKVGET-UMVBOHGHSA-N 2 1 280.843 3.249 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246107389 804139941 /nfs/dbraw/zinc/13/99/41/804139941.db2.gz AWNVFEPWPPCSNH-BRWVUGGUSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113846 804145025 /nfs/dbraw/zinc/14/50/25/804145025.db2.gz OBTDFZBGUDABBW-BBRMVZONSA-N 2 1 298.833 3.342 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3c2ccn3C)CC1 ZINC001139164352 804146164 /nfs/dbraw/zinc/14/61/64/804146164.db2.gz YKOAHKKBFXZAGX-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3c2ccn3C)CC1 ZINC001139164352 804146172 /nfs/dbraw/zinc/14/61/72/804146172.db2.gz YKOAHKKBFXZAGX-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC001246129327 804156117 /nfs/dbraw/zinc/15/61/17/804156117.db2.gz FFOMNNQHBNEQNO-FHLIZLRMSA-N 2 1 272.436 3.054 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246136277 804160951 /nfs/dbraw/zinc/16/09/51/804160951.db2.gz WCOSLZZGQSEJJW-SJORKVTESA-N 2 1 272.436 3.130 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159946 804175210 /nfs/dbraw/zinc/17/52/10/804175210.db2.gz LPRIHQYIEORHHC-XWTMOSNGSA-N 2 1 296.499 3.338 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)CC1 ZINC001246162061 804178617 /nfs/dbraw/zinc/17/86/17/804178617.db2.gz WWMNJMASFFMCEH-OPQOLIRYSA-N 2 1 294.483 3.236 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246174677 804189076 /nfs/dbraw/zinc/18/90/76/804189076.db2.gz COFIVWUJNXVEMS-NWDGAFQWSA-N 2 1 284.806 3.142 20 0 CGADMP c1ccc(OC2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246174661 804189729 /nfs/dbraw/zinc/18/97/29/804189729.db2.gz CLBFTNCZKPXTHQ-PQUAAJSLSA-N 2 1 288.435 3.108 20 0 CGADMP CCCCC[C@H](CCC)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246180158 804194154 /nfs/dbraw/zinc/19/41/54/804194154.db2.gz QDMGOSAEBVOGSR-GJZGRUSLSA-N 2 1 258.425 3.417 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246181689 804195194 /nfs/dbraw/zinc/19/51/94/804195194.db2.gz ROBXEXNYNZYNPR-RRFJBIMHSA-N 2 1 258.425 3.273 20 0 CGADMP C[C@@]1([NH2+]C2CCC(c3ccccc3)CC2)CCC[NH2+]C1 ZINC001246187960 804198181 /nfs/dbraw/zinc/19/81/81/804198181.db2.gz HEGZGLDZNLCJEH-DAWZGUTISA-N 2 1 272.436 3.445 20 0 CGADMP CC[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193599 804202469 /nfs/dbraw/zinc/20/24/69/804202469.db2.gz BIKIPNVIZJWXEH-FJIDUMEYSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193599 804202474 /nfs/dbraw/zinc/20/24/74/804202474.db2.gz BIKIPNVIZJWXEH-FJIDUMEYSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246193599 804202478 /nfs/dbraw/zinc/20/24/78/804202478.db2.gz BIKIPNVIZJWXEH-FJIDUMEYSA-N 3 1 295.515 3.150 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246220391 804214510 /nfs/dbraw/zinc/21/45/10/804214510.db2.gz JRYDAAFYFFUHTO-CHWSQXEVSA-N 2 1 262.388 3.036 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC001246263947 804243624 /nfs/dbraw/zinc/24/36/24/804243624.db2.gz MBWUHIRJVYCIIG-AWEZNQCLSA-N 2 1 278.827 3.413 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccccc1F ZINC001246263695 804244326 /nfs/dbraw/zinc/24/43/26/804244326.db2.gz KTRFLKKGEAJCKM-ZWUHOBOKSA-N 2 1 264.388 3.395 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246265127 804245385 /nfs/dbraw/zinc/24/53/85/804245385.db2.gz IELKDWXGYQLFNC-NVXWUHKLSA-N 2 1 260.425 3.281 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246264167 804245521 /nfs/dbraw/zinc/24/55/21/804245521.db2.gz FJPKNVHWORSVBH-HYVNUMGLSA-N 2 1 262.441 3.361 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC[NH2+]1 ZINC001246281328 804256642 /nfs/dbraw/zinc/25/66/42/804256642.db2.gz NPXIKMCQZHASDF-KBMXLJTQSA-N 2 1 276.399 3.315 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246299440 804266014 /nfs/dbraw/zinc/26/60/14/804266014.db2.gz KJRCBRKIITVHOP-UZLBHIALSA-N 2 1 296.458 3.340 20 0 CGADMP CCCCCC[C@@H](CCCC)N[C@@H]([NH3+])CCC[NH3+] ZINC001246302256 804268513 /nfs/dbraw/zinc/26/85/13/804268513.db2.gz XJHHLJJNQONKOT-HUUCEWRRSA-N 2 1 257.466 3.129 20 0 CGADMP [NH3+][C@H](C[NH2+]C1CCc2ccccc2CC1)Cc1ccccc1 ZINC001246312395 804273193 /nfs/dbraw/zinc/27/31/93/804273193.db2.gz XEXLFDYBYZWFGT-IBGZPJMESA-N 2 1 294.442 3.094 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001246323698 804280619 /nfs/dbraw/zinc/28/06/19/804280619.db2.gz DNEJOSVFNWFKSQ-UEKVPHQBSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246323698 804280624 /nfs/dbraw/zinc/28/06/24/804280624.db2.gz DNEJOSVFNWFKSQ-UEKVPHQBSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC(C)(C)C1 ZINC001246340746 804292315 /nfs/dbraw/zinc/29/23/15/804292315.db2.gz KNXULCLKOGGRQS-VOAKCMCISA-N 2 1 292.389 3.331 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246360177 804303176 /nfs/dbraw/zinc/30/31/76/804303176.db2.gz FYZLRPKQFNIIQG-HLLBOEOZSA-N 2 1 295.515 3.006 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246360178 804304409 /nfs/dbraw/zinc/30/44/09/804304409.db2.gz FYZLRPKQFNIIQG-VYDXJSESSA-N 2 1 295.515 3.006 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2cc(OC)ccc2F)C[C@@H](CC)[NH2+]1 ZINC001246358507 804304566 /nfs/dbraw/zinc/30/45/66/804304566.db2.gz QMHWVICBZWCLMC-ZIAGYGMSSA-N 2 1 294.414 3.233 20 0 CGADMP Clc1cccc(CC2(C[NH2+][C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246385958 804316129 /nfs/dbraw/zinc/31/61/29/804316129.db2.gz VQQFWZADIDLAJR-OAHLLOKOSA-N 2 1 278.827 3.004 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cncc4ccccc43)C[C@H]2C1 ZINC001139898388 804322261 /nfs/dbraw/zinc/32/22/61/804322261.db2.gz LPRLIZFROSJZKL-QZTJIDSGSA-N 2 1 295.430 3.008 20 0 CGADMP CC[C@@]1(C[NH2+][C@@H](C)CSc2ccc(F)cc2)CCC[NH2+]1 ZINC001246457730 804339852 /nfs/dbraw/zinc/33/98/52/804339852.db2.gz TWGBSNIKGMARHB-BBRMVZONSA-N 2 1 296.455 3.428 20 0 CGADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246496511 804360055 /nfs/dbraw/zinc/36/00/55/804360055.db2.gz JPYLDVYJDBOQQX-WBVHZDCISA-N 2 1 258.409 3.186 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC001246504828 804365984 /nfs/dbraw/zinc/36/59/84/804365984.db2.gz UGEYUEQXTLOMLH-WFASDCNBSA-N 2 1 268.832 3.234 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1Cl ZINC001246505456 804366094 /nfs/dbraw/zinc/36/60/94/804366094.db2.gz WKBVBLDYFVJRND-OCCSQVGLSA-N 2 1 268.832 3.234 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246524210 804379429 /nfs/dbraw/zinc/37/94/29/804379429.db2.gz FCXWZXIAKHAYKB-FRXHMLBDSA-N 2 1 250.430 3.028 20 0 CGADMP CCCCC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246530040 804381869 /nfs/dbraw/zinc/38/18/69/804381869.db2.gz NIPRBCUCYDGYEV-ZWKOTPCHSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538465 804387596 /nfs/dbraw/zinc/38/75/96/804387596.db2.gz CEKALLUNCBAGMU-NWDGAFQWSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538465 804387603 /nfs/dbraw/zinc/38/76/03/804387603.db2.gz CEKALLUNCBAGMU-NWDGAFQWSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246542565 804390081 /nfs/dbraw/zinc/39/00/81/804390081.db2.gz QNDQAAMJWCPPQM-OCCSQVGLSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246542566 804391283 /nfs/dbraw/zinc/39/12/83/804391283.db2.gz QNDQAAMJWCPPQM-TZMCWYRMSA-N 2 1 266.816 3.084 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2Cc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC001246544925 804393420 /nfs/dbraw/zinc/39/34/20/804393420.db2.gz DNTJSALMBVMFRT-KYJSFNMBSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246547806 804396402 /nfs/dbraw/zinc/39/64/02/804396402.db2.gz OIGIEGMGOVQVNV-AYDFFVQHSA-N 2 1 258.409 3.135 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@H+](C2CCc3ccccc3CC2)CC1 ZINC001246549800 804400239 /nfs/dbraw/zinc/40/02/39/804400239.db2.gz NRAWOGWTDOISFV-SFHVURJKSA-N 2 1 290.426 3.087 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246550803 804400830 /nfs/dbraw/zinc/40/08/30/804400830.db2.gz XFSRGWNRKGEPLM-INIZCTEOSA-N 2 1 270.420 3.028 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C[C@@H]1C[NH3+] ZINC001246553791 804404738 /nfs/dbraw/zinc/40/47/38/804404738.db2.gz UUAWKRSODNVYIZ-PVUWLOKVSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246562038 804412164 /nfs/dbraw/zinc/41/21/64/804412164.db2.gz HONYSSMVOGMCRK-VNHYZAJKSA-N 2 1 280.843 3.330 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001246565778 804413641 /nfs/dbraw/zinc/41/36/41/804413641.db2.gz PUAYTLPKPVEUAQ-JZXOWHBKSA-N 2 1 274.452 3.375 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246570217 804417439 /nfs/dbraw/zinc/41/74/39/804417439.db2.gz UKWBLHSUTPNZFD-HZSPNIEDSA-N 2 1 272.502 3.213 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246575121 804422467 /nfs/dbraw/zinc/42/24/67/804422467.db2.gz VPGMHAGHNJTALX-QWHCGFSZSA-N 2 1 298.883 3.362 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246575121 804422470 /nfs/dbraw/zinc/42/24/70/804422470.db2.gz VPGMHAGHNJTALX-QWHCGFSZSA-N 2 1 298.883 3.362 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001246575889 804423174 /nfs/dbraw/zinc/42/31/74/804423174.db2.gz LKAQYYUVTOFAJK-ZWKOTPCHSA-N 2 1 290.426 3.134 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001246581621 804426268 /nfs/dbraw/zinc/42/62/68/804426268.db2.gz ZLSPZFGXYWXGCX-FUHWJXTLSA-N 2 1 274.452 3.377 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C2CCCCCCC2)C1 ZINC001246583994 804428448 /nfs/dbraw/zinc/42/84/48/804428448.db2.gz WUOUWFPSHADCSN-HNNXBMFYSA-N 2 1 256.409 3.252 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C2CCCCCCC2)C1 ZINC001246583994 804428452 /nfs/dbraw/zinc/42/84/52/804428452.db2.gz WUOUWFPSHADCSN-HNNXBMFYSA-N 2 1 256.409 3.252 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246583002 804428492 /nfs/dbraw/zinc/42/84/92/804428492.db2.gz PUAOUPSYBIMHIK-QWHCGFSZSA-N 2 1 298.833 3.471 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001246590516 804433178 /nfs/dbraw/zinc/43/31/78/804433178.db2.gz UQWBABPLWKYIJL-IMJJTQAJSA-N 2 1 296.455 3.237 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001246590516 804433182 /nfs/dbraw/zinc/43/31/82/804433182.db2.gz UQWBABPLWKYIJL-IMJJTQAJSA-N 2 1 296.455 3.237 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246594579 804435349 /nfs/dbraw/zinc/43/53/49/804435349.db2.gz WRWQDJJNHXNNIX-KLAILNCOSA-N 2 1 264.457 3.421 20 0 CGADMP c1ccc2c(c1)CC([N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C2 ZINC001246599236 804438999 /nfs/dbraw/zinc/43/89/99/804438999.db2.gz BJCINZBMAPGMTN-HXUWFJFHSA-N 2 1 298.474 3.400 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@]34CCC[NH2+]CC4)C[C@@H]21 ZINC001246602030 804439997 /nfs/dbraw/zinc/43/99/97/804439997.db2.gz BNKXWHJTOTXGGC-MPTYRVRUSA-N 2 1 262.441 3.029 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@]34CCC[NH2+]CC4)C[C@@H]21 ZINC001246602028 804440639 /nfs/dbraw/zinc/44/06/39/804440639.db2.gz BNKXWHJTOTXGGC-IVSAIRAKSA-N 2 1 262.441 3.029 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246606283 804441273 /nfs/dbraw/zinc/44/12/73/804441273.db2.gz DMKTXCMSSXKBJM-MGPQQGTHSA-N 2 1 290.373 3.326 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246606283 804441276 /nfs/dbraw/zinc/44/12/76/804441276.db2.gz DMKTXCMSSXKBJM-MGPQQGTHSA-N 2 1 290.373 3.326 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246607258 804441406 /nfs/dbraw/zinc/44/14/06/804441406.db2.gz CUSDLKQVOVFNMB-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246608426 804442502 /nfs/dbraw/zinc/44/25/02/804442502.db2.gz HALGWIJSYBWBSU-HNNXBMFYSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246609366 804442750 /nfs/dbraw/zinc/44/27/50/804442750.db2.gz MTCGZJDNSFZQJJ-YOEHRIQHSA-N 2 1 292.854 3.347 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246615004 804449052 /nfs/dbraw/zinc/44/90/52/804449052.db2.gz QQFWRRDSJYHEOE-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246614241 804449204 /nfs/dbraw/zinc/44/92/04/804449204.db2.gz NEOBXJADHNCAFP-SJORKVTESA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)COCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246614241 804449208 /nfs/dbraw/zinc/44/92/08/804449208.db2.gz NEOBXJADHNCAFP-SJORKVTESA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC3(CCCC3)C2)C[C@H](C)[NH2+]1 ZINC001246615137 804450681 /nfs/dbraw/zinc/45/06/81/804450681.db2.gz QGOVDPLDWHRROG-QDMKHBRRSA-N 2 1 250.430 3.172 20 0 CGADMP c1ccc([C@H]2C[N@@H+](C3CCCCCC3)CC23C[NH2+]C3)cc1 ZINC001246616703 804452660 /nfs/dbraw/zinc/45/26/60/804452660.db2.gz AMUJHVPHSATERJ-GOSISDBHSA-N 2 1 284.447 3.398 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([NH+]3CC4(C3)CCC[NH2+]C4)C2)cc1 ZINC001246619921 804453795 /nfs/dbraw/zinc/45/37/95/804453795.db2.gz MSDMMMAQFLPATR-IAGOWNOFSA-N 2 1 270.420 3.008 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246622259 804455681 /nfs/dbraw/zinc/45/56/81/804455681.db2.gz QIQUYVADRXSXOO-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@@H](CCCC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246628374 804459210 /nfs/dbraw/zinc/45/92/10/804459210.db2.gz LEAKCUSFSGSCOB-MSOLQXFVSA-N 2 1 295.515 3.153 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246630565 804460481 /nfs/dbraw/zinc/46/04/81/804460481.db2.gz PIWNLVOZEBDRDS-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246630341 804461145 /nfs/dbraw/zinc/46/11/45/804461145.db2.gz JAISJPCAAYTHOS-VLOYRQLPSA-N 2 1 284.447 3.082 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246630341 804461151 /nfs/dbraw/zinc/46/11/51/804461151.db2.gz JAISJPCAAYTHOS-VLOYRQLPSA-N 2 1 284.447 3.082 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631846 804462832 /nfs/dbraw/zinc/46/28/32/804462832.db2.gz SVQJURSGHIVGQF-LRDDRELGSA-N 2 1 296.817 3.096 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631846 804462834 /nfs/dbraw/zinc/46/28/34/804462834.db2.gz SVQJURSGHIVGQF-LRDDRELGSA-N 2 1 296.817 3.096 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246633516 804463818 /nfs/dbraw/zinc/46/38/18/804463818.db2.gz YNOCPNQBMSXXFI-PBHICJAKSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246633516 804463822 /nfs/dbraw/zinc/46/38/22/804463822.db2.gz YNOCPNQBMSXXFI-PBHICJAKSA-N 2 1 292.854 3.347 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246633213 804463979 /nfs/dbraw/zinc/46/39/79/804463979.db2.gz FCYNGOFZGHQGFD-GOSISDBHSA-N 2 1 296.499 3.437 20 0 CGADMP C1C[C@@]2(CC[N@@H+](C3CCC4(CCCCC4)CC3)C2)[NH2+]1 ZINC001246638290 804466133 /nfs/dbraw/zinc/46/61/33/804466133.db2.gz RSDCWMCYUXEETH-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP C1C[C@@]2(CC[N@H+](C3CCC4(CCCCC4)CC3)C2)[NH2+]1 ZINC001246638290 804466135 /nfs/dbraw/zinc/46/61/35/804466135.db2.gz RSDCWMCYUXEETH-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641723 804468644 /nfs/dbraw/zinc/46/86/44/804468644.db2.gz XNEKDXRRNROLHA-KZNAEPCWSA-N 2 1 272.436 3.080 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641723 804468645 /nfs/dbraw/zinc/46/86/45/804468645.db2.gz XNEKDXRRNROLHA-KZNAEPCWSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246645931 804473288 /nfs/dbraw/zinc/47/32/88/804473288.db2.gz FATCXXQHDQGTCX-HNNXBMFYSA-N 2 1 290.426 3.365 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246659259 804483974 /nfs/dbraw/zinc/48/39/74/804483974.db2.gz WQBPAYNDYHBCIF-OVYGPGRDSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246659259 804483982 /nfs/dbraw/zinc/48/39/82/804483982.db2.gz WQBPAYNDYHBCIF-OVYGPGRDSA-N 2 1 264.457 3.418 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246666339 804486436 /nfs/dbraw/zinc/48/64/36/804486436.db2.gz JAUNQAFQIYMUAJ-GUDVDZBRSA-N 2 1 286.463 3.329 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]12 ZINC001246665968 804486966 /nfs/dbraw/zinc/48/69/66/804486966.db2.gz VNAXQAKWLHPPQU-JWEAOGIISA-N 2 1 290.838 3.255 20 0 CGADMP C1[C@@H]2C[NH2+]CC[C@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246671729 804489552 /nfs/dbraw/zinc/48/95/52/804489552.db2.gz HLEWAEANERBAAY-GOEBONIOSA-N 2 1 262.441 3.173 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246671137 804489818 /nfs/dbraw/zinc/48/98/18/804489818.db2.gz ACAVTGUTMHIJLE-PKOBYXMFSA-N 2 1 286.463 3.185 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246674948 804490665 /nfs/dbraw/zinc/49/06/65/804490665.db2.gz PFSAOGUALCMLOX-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+](C)CCC[NH3+] ZINC001246678017 804492792 /nfs/dbraw/zinc/49/27/92/804492792.db2.gz CSRMMOLRWOILQS-LBPRGKRZSA-N 2 1 299.256 3.051 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246687121 804495683 /nfs/dbraw/zinc/49/56/83/804495683.db2.gz VGTDSRQOEZZQPA-IGKNDFSCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C[C@H](C)[NH2+]1 ZINC001246770981 804502192 /nfs/dbraw/zinc/50/21/92/804502192.db2.gz UJYNNUHCNJBDJC-JJLQDPRZSA-N 2 1 266.816 3.301 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246770308 804503110 /nfs/dbraw/zinc/50/31/10/804503110.db2.gz QAOQKQOAIMQQFT-DLBZAZTESA-N 2 1 260.425 3.203 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC001246777684 804505816 /nfs/dbraw/zinc/50/58/16/804505816.db2.gz RYHPUKVHQYDNTD-IAGOWNOFSA-N 2 1 260.425 3.082 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246778347 804506558 /nfs/dbraw/zinc/50/65/58/804506558.db2.gz ULSVZWNJBXBLJK-ROUUACIJSA-N 2 1 274.452 3.459 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246775950 804506624 /nfs/dbraw/zinc/50/66/24/804506624.db2.gz LJGYVQVWEMKWLQ-SFHVURJKSA-N 2 1 286.463 3.473 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246779395 804506855 /nfs/dbraw/zinc/50/68/55/804506855.db2.gz GAUQIAMULMJFNI-BJWYYQGGSA-N 2 1 290.451 3.306 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246779948 804508673 /nfs/dbraw/zinc/50/86/73/804508673.db2.gz VLWZJRDJHFWAPZ-INIZCTEOSA-N 2 1 298.455 3.119 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)[C@H]1C ZINC001246788066 804512052 /nfs/dbraw/zinc/51/20/52/804512052.db2.gz HCVWPLYSEUPBOM-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2cccs2)CC[NH2+]1 ZINC001246790994 804513299 /nfs/dbraw/zinc/51/32/99/804513299.db2.gz WWAMKYWBYJTWHK-UPJWGTAASA-N 2 1 250.411 3.026 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC001246791259 804515143 /nfs/dbraw/zinc/51/51/43/804515143.db2.gz OCCOLRBCSJIYFJ-WFASDCNBSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001246791259 804515148 /nfs/dbraw/zinc/51/51/48/804515148.db2.gz OCCOLRBCSJIYFJ-WFASDCNBSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC001246791432 804515270 /nfs/dbraw/zinc/51/52/70/804515270.db2.gz YOJOCUNGFCCIJX-BBRMVZONSA-N 2 1 264.388 3.351 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001246791432 804515276 /nfs/dbraw/zinc/51/52/76/804515276.db2.gz YOJOCUNGFCCIJX-BBRMVZONSA-N 2 1 264.388 3.351 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246791493 804516155 /nfs/dbraw/zinc/51/61/55/804516155.db2.gz JWWQRMSYILSYDN-AKHDSKFASA-N 2 1 284.447 3.224 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001140800191 804519320 /nfs/dbraw/zinc/51/93/20/804519320.db2.gz YRBYUTGYHMPKOH-KRWDZBQOSA-N 2 1 278.359 3.295 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001140800191 804519325 /nfs/dbraw/zinc/51/93/25/804519325.db2.gz YRBYUTGYHMPKOH-KRWDZBQOSA-N 2 1 278.359 3.295 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246796365 804519585 /nfs/dbraw/zinc/51/95/85/804519585.db2.gz KUGIBWRYCRDSIJ-CYBMUJFWSA-N 2 1 280.843 3.345 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246796468 804519955 /nfs/dbraw/zinc/51/99/55/804519955.db2.gz LMNUZSHCFRTBFE-HNNXBMFYSA-N 2 1 292.854 3.271 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246800463 804520790 /nfs/dbraw/zinc/52/07/90/804520790.db2.gz DYIAWXUVHMFFRK-RBSFLKMASA-N 2 1 276.399 3.146 20 0 CGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cnc3cc[nH]cc1-3)C2 ZINC001140800958 804521924 /nfs/dbraw/zinc/52/19/24/804521924.db2.gz CAJPUXOAECLLOC-QAPCUYQASA-N 2 1 299.418 3.202 20 0 CGADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cnc3cc[nH]cc1-3)C2 ZINC001140800958 804521930 /nfs/dbraw/zinc/52/19/30/804521930.db2.gz CAJPUXOAECLLOC-QAPCUYQASA-N 2 1 299.418 3.202 20 0 CGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140800958 804521934 /nfs/dbraw/zinc/52/19/34/804521934.db2.gz CAJPUXOAECLLOC-QAPCUYQASA-N 2 1 299.418 3.202 20 0 CGADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140800958 804521937 /nfs/dbraw/zinc/52/19/37/804521937.db2.gz CAJPUXOAECLLOC-QAPCUYQASA-N 2 1 299.418 3.202 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246803438 804523484 /nfs/dbraw/zinc/52/34/84/804523484.db2.gz KEOOEUHTPBFNIV-FZMZJTMJSA-N 2 1 286.341 3.278 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246804175 804523753 /nfs/dbraw/zinc/52/37/53/804523753.db2.gz MNQAJASPLSXHLG-MPGHIAIKSA-N 2 1 290.426 3.392 20 0 CGADMP CC[NH2+]C1CC[NH+]([C@@H](C)CSc2ccc(F)cc2)CC1 ZINC001246802206 804523862 /nfs/dbraw/zinc/52/38/62/804523862.db2.gz IUCUSZDKOHTMLX-ZDUSSCGKSA-N 2 1 296.455 3.380 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001246812295 804529284 /nfs/dbraw/zinc/52/92/84/804529284.db2.gz YNSNFTCHUOTVCV-CHWSQXEVSA-N 2 1 266.816 3.127 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC2(CCCC2)CC1 ZINC001246814212 804530113 /nfs/dbraw/zinc/53/01/13/804530113.db2.gz OJPVIHDLTYMKKY-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CC([N@@H+](C)CCc2ccc(Cl)cc2)C[C@@H](C)[NH2+]1 ZINC001246814865 804531559 /nfs/dbraw/zinc/53/15/59/804531559.db2.gz SUOILIQJRRYLQN-CHWSQXEVSA-N 2 1 280.843 3.343 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCc2cccc(Cl)c2)CC[NH2+]1 ZINC001246824060 804536755 /nfs/dbraw/zinc/53/67/55/804536755.db2.gz OQJQVHYIUVDLFE-CVEARBPZSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)CCc2cccc(Cl)c2)CC[NH2+]1 ZINC001246824062 804536949 /nfs/dbraw/zinc/53/69/49/804536949.db2.gz OQJQVHYIUVDLFE-HZPDHXFCSA-N 2 1 280.843 3.345 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246835588 804544402 /nfs/dbraw/zinc/54/44/02/804544402.db2.gz KQNZPHUEJAHIDZ-UGUYLWEFSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246835588 804544409 /nfs/dbraw/zinc/54/44/09/804544409.db2.gz KQNZPHUEJAHIDZ-UGUYLWEFSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835598 804544739 /nfs/dbraw/zinc/54/47/39/804544739.db2.gz JVPJYMPXDQSMQY-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246837500 804546726 /nfs/dbraw/zinc/54/67/26/804546726.db2.gz USYFTDKTVQYIAM-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246840104 804548588 /nfs/dbraw/zinc/54/85/88/804548588.db2.gz FDSNMUXPQIPMIA-ARFHVFGLSA-N 2 1 254.462 3.379 20 0 CGADMP C1CC2(C1)C[C@H]([N@@H+]1CCC[C@H]3CCCC[C@H]31)CC[NH2+]2 ZINC001246841346 804550062 /nfs/dbraw/zinc/55/00/62/804550062.db2.gz YSNXOQBRYKPHFC-BZUAXINKSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)C[C@H]([N@H+]1CCC[C@H]3CCCC[C@H]31)CC[NH2+]2 ZINC001246841346 804550066 /nfs/dbraw/zinc/55/00/66/804550066.db2.gz YSNXOQBRYKPHFC-BZUAXINKSA-N 2 1 262.441 3.316 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246845200 804553768 /nfs/dbraw/zinc/55/37/68/804553768.db2.gz LMILVOZLNDYTSR-XOIINTDNSA-N 2 1 260.425 3.210 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)CC2CCCCC2)CC[NH2+]1 ZINC001246847310 804556177 /nfs/dbraw/zinc/55/61/77/804556177.db2.gz SPCDBMWUYXFDPU-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP C1C[C@@H](C2CCCCC2)[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246866408 804570259 /nfs/dbraw/zinc/57/02/59/804570259.db2.gz TZMDVNRTKQDXES-YVSFHVDLSA-N 2 1 262.441 3.314 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246875322 804574210 /nfs/dbraw/zinc/57/42/10/804574210.db2.gz ZZMOZGIKHNQCBS-RHSMWYFYSA-N 2 1 270.420 3.108 20 0 CGADMP Cc1ccncc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001141036318 804574307 /nfs/dbraw/zinc/57/43/07/804574307.db2.gz URYIAEYUDNONHS-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246882799 804577921 /nfs/dbraw/zinc/57/79/21/804577921.db2.gz NZQMWIDCNITMEY-ZFWWWQNUSA-N 2 1 266.454 3.347 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)C1CCC(C)(C)CC1 ZINC001246897443 804586674 /nfs/dbraw/zinc/58/66/74/804586674.db2.gz KERPIPNXYKAENW-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH2+]1 ZINC001246901360 804588345 /nfs/dbraw/zinc/58/83/45/804588345.db2.gz MNDHCVIKQISGAR-SUNYJGFJSA-N 2 1 283.419 3.445 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)CC[NH2+]1 ZINC001246906238 804592070 /nfs/dbraw/zinc/59/20/70/804592070.db2.gz DEDYTDZHXJUOFG-SJORKVTESA-N 2 1 260.425 3.266 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246912618 804594449 /nfs/dbraw/zinc/59/44/49/804594449.db2.gz ZNEKKKRLSDKQJN-NEPJUHHUSA-N 2 1 296.867 3.180 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)CC[NH2+]1 ZINC001246915927 804599360 /nfs/dbraw/zinc/59/93/60/804599360.db2.gz ZHPHRXAHDRRLDD-GOEBONIOSA-N 2 1 250.430 3.172 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922668 804602389 /nfs/dbraw/zinc/60/23/89/804602389.db2.gz WITRDEKEUSNPLG-BHDPWAOGSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922668 804602393 /nfs/dbraw/zinc/60/23/93/804602393.db2.gz WITRDEKEUSNPLG-BHDPWAOGSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCCC3(CCC3)C2)CC[NH2+]1 ZINC001246940040 804609889 /nfs/dbraw/zinc/60/98/89/804609889.db2.gz ICJVSNBRVXBTMH-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246941397 804609948 /nfs/dbraw/zinc/60/99/48/804609948.db2.gz JSTWSXCNLPNZNV-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP C1CC2(C1)CCC[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246939886 804610028 /nfs/dbraw/zinc/61/00/28/804610028.db2.gz HQMDOLWHLBOIMB-RDJZCZTQSA-N 2 1 262.441 3.175 20 0 CGADMP [NH3+]C[C@@]1(F)CC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246943398 804612452 /nfs/dbraw/zinc/61/24/52/804612452.db2.gz BAGRNKXXSFXCBW-INIZCTEOSA-N 2 1 268.420 3.252 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC001246964234 804619833 /nfs/dbraw/zinc/61/98/33/804619833.db2.gz BXKXUSOBZOWSIJ-GOEBONIOSA-N 2 1 278.465 3.146 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246966330 804621177 /nfs/dbraw/zinc/62/11/77/804621177.db2.gz RLUMIMGTKOJIJY-WMLDXEAASA-N 2 1 258.409 3.182 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(C)cc1 ZINC001246971395 804622954 /nfs/dbraw/zinc/62/29/54/804622954.db2.gz BAYILTNINDHJDV-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001246972421 804623115 /nfs/dbraw/zinc/62/31/15/804623115.db2.gz FAAWQOMWMUEYMW-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246977044 804623544 /nfs/dbraw/zinc/62/35/44/804623544.db2.gz RPUZDMVYSISEQK-FZKCQIBNSA-N 2 1 252.446 3.260 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246973862 804624608 /nfs/dbraw/zinc/62/46/08/804624608.db2.gz IWESNORHGBEOTM-ZSYWTGECSA-N 2 1 286.463 3.313 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246979550 804626128 /nfs/dbraw/zinc/62/61/28/804626128.db2.gz DIQLNTUMRCCUNT-UWVGGRQHSA-N 2 1 275.223 3.203 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246979550 804626129 /nfs/dbraw/zinc/62/61/29/804626129.db2.gz DIQLNTUMRCCUNT-UWVGGRQHSA-N 2 1 275.223 3.203 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC001246983223 804626882 /nfs/dbraw/zinc/62/68/82/804626882.db2.gz GCDZKYZNZFNUSA-YXJHDRRASA-N 2 1 272.436 3.382 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984074 804628564 /nfs/dbraw/zinc/62/85/64/804628564.db2.gz HJOKTTYXBSPUJC-SFHVURJKSA-N 2 1 297.531 3.207 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984074 804628569 /nfs/dbraw/zinc/62/85/69/804628569.db2.gz HJOKTTYXBSPUJC-SFHVURJKSA-N 2 1 297.531 3.207 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](N)C[C@H]1C ZINC001246999695 804634655 /nfs/dbraw/zinc/63/46/55/804634655.db2.gz SRWVDJUDALNWLL-RDBSUJKOSA-N 2 1 296.480 3.492 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246999695 804634669 /nfs/dbraw/zinc/63/46/69/804634669.db2.gz SRWVDJUDALNWLL-RDBSUJKOSA-N 2 1 296.480 3.492 20 0 CGADMP CSc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC001142029246 804690316 /nfs/dbraw/zinc/69/03/16/804690316.db2.gz SCMZNHXFPYIMME-UHFFFAOYSA-N 2 1 296.505 3.388 20 0 CGADMP Cc1c2[nH+]c[nH]c2ccc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165279851 806986287 /nfs/dbraw/zinc/98/62/87/806986287.db2.gz ZWAQJEBRLSQLTB-ZDUSSCGKSA-N 2 1 272.396 3.015 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)cc(OC)cc1C ZINC001142950052 804789490 /nfs/dbraw/zinc/78/94/90/804789490.db2.gz PSMGGJISFCTSHC-UHFFFAOYSA-N 2 1 278.440 3.086 20 0 CGADMP Cc1cc2cc[nH]c2c(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001165263106 806983967 /nfs/dbraw/zinc/98/39/67/806983967.db2.gz YYMQUBUOUAQBDG-ZDUSSCGKSA-N 2 1 272.396 3.015 20 0 CGADMP CCC(CC)[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256862041 806993674 /nfs/dbraw/zinc/99/36/74/806993674.db2.gz GPQUSWYKUPOHBH-UHFFFAOYSA-N 2 1 261.413 3.171 20 0 CGADMP c1cc2c(s1)C[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256861307 806993937 /nfs/dbraw/zinc/99/39/37/806993937.db2.gz WVEKXNVOMLCGSO-UHFFFAOYSA-N 2 1 299.443 3.170 20 0 CGADMP CCOC1CCC([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256905028 807006220 /nfs/dbraw/zinc/00/62/20/807006220.db2.gz MWAGOSJSQNHXEM-UPTPFMHGSA-N 2 1 294.483 3.331 20 0 CGADMP CCOC1CCC([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256905028 807006225 /nfs/dbraw/zinc/00/62/25/807006225.db2.gz MWAGOSJSQNHXEM-UPTPFMHGSA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001257213618 807063297 /nfs/dbraw/zinc/06/32/97/807063297.db2.gz RMGFKUXKZRUBTH-OAHLLOKOSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001257213618 807063304 /nfs/dbraw/zinc/06/33/04/807063304.db2.gz RMGFKUXKZRUBTH-OAHLLOKOSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001257218646 807064092 /nfs/dbraw/zinc/06/40/92/807064092.db2.gz VHVXVMQZFPFXCO-OAHLLOKOSA-N 2 1 290.426 3.488 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001257218646 807064098 /nfs/dbraw/zinc/06/40/98/807064098.db2.gz VHVXVMQZFPFXCO-OAHLLOKOSA-N 2 1 290.426 3.488 20 0 CGADMP CCC(CC)[NH+]1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001257291905 807089016 /nfs/dbraw/zinc/08/90/16/807089016.db2.gz OCMWGPIVASIHOO-UHFFFAOYSA-N 2 1 276.424 3.134 20 0 CGADMP CCCC(CCC)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001257339063 807115150 /nfs/dbraw/zinc/11/51/50/807115150.db2.gz HMHQKVQQOKTNKQ-GASCZTMLSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC(CCC)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001257339063 807115153 /nfs/dbraw/zinc/11/51/53/807115153.db2.gz HMHQKVQQOKTNKQ-GASCZTMLSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC(CCC)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001257339063 807115154 /nfs/dbraw/zinc/11/51/54/807115154.db2.gz HMHQKVQQOKTNKQ-GASCZTMLSA-N 2 1 252.446 3.229 20 0 CGADMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](C2CCCC2)CC3)c1 ZINC001257353533 807118423 /nfs/dbraw/zinc/11/84/23/807118423.db2.gz RTMYUWGQZJIRAY-UHFFFAOYSA-N 2 1 299.462 3.312 20 0 CGADMP CC[C@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001257439400 807156599 /nfs/dbraw/zinc/15/65/99/807156599.db2.gz GBQKOYMKXDDEFN-AWEZNQCLSA-N 2 1 250.430 3.125 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001257463254 807169321 /nfs/dbraw/zinc/16/93/21/807169321.db2.gz LANYLVUCEADELY-ZIAGYGMSSA-N 2 1 251.418 3.386 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CCCSC2)CC1 ZINC001257666366 807209120 /nfs/dbraw/zinc/20/91/20/807209120.db2.gz LCLACYFZGSGTPG-QEJZJMRPSA-N 2 1 268.470 3.006 20 0 CGADMP CC(C)OC1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC001257871215 807231719 /nfs/dbraw/zinc/23/17/19/807231719.db2.gz PMTPZWWFHSGDCU-UHFFFAOYSA-N 2 1 284.488 3.431 20 0 CGADMP CC(C)OC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001257872629 807233034 /nfs/dbraw/zinc/23/30/34/807233034.db2.gz CJWNEXQMVZVALM-UHQQODTQSA-N 2 1 294.483 3.328 20 0 CGADMP CC(C)OC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001257872629 807233039 /nfs/dbraw/zinc/23/30/39/807233039.db2.gz CJWNEXQMVZVALM-UHQQODTQSA-N 2 1 294.483 3.328 20 0 CGADMP Cc1cc(NCCC[N@H+]2CCCC[C@H]2C)c2[nH+]ccn2c1 ZINC001167754070 807243580 /nfs/dbraw/zinc/24/35/80/807243580.db2.gz URFWBXCHUPTOPJ-OAHLLOKOSA-N 2 1 286.423 3.319 20 0 CGADMP Cc1cc(NCCC[N@@H+]2CCCC[C@H]2C)c2[nH+]ccn2c1 ZINC001167754070 807243582 /nfs/dbraw/zinc/24/35/82/807243582.db2.gz URFWBXCHUPTOPJ-OAHLLOKOSA-N 2 1 286.423 3.319 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001167827241 807256271 /nfs/dbraw/zinc/25/62/71/807256271.db2.gz VEASBYBRBAGXRO-WBVHZDCISA-N 2 1 290.455 3.124 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC2CCC1CC2 ZINC001167837774 807259360 /nfs/dbraw/zinc/25/93/60/807259360.db2.gz MNHLJOSYHKDIEU-FHERZECASA-N 2 1 252.446 3.371 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)cc1 ZINC001167897591 807269747 /nfs/dbraw/zinc/26/97/47/807269747.db2.gz KMDNHIMWJMQBCP-XHHHBCLVSA-N 2 1 296.458 3.285 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)(C)C ZINC001167964733 807288110 /nfs/dbraw/zinc/28/81/10/807288110.db2.gz WYRCDUYRKCAKGW-OHRKKDJYSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258096553 807304393 /nfs/dbraw/zinc/30/43/93/807304393.db2.gz QZTHPWLHIUBKKQ-BZUAXINKSA-N 2 1 250.430 3.005 20 0 CGADMP C[C@@H](Cc1ccco1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001258176250 807342651 /nfs/dbraw/zinc/34/26/51/807342651.db2.gz NIWRMDJRMUDSGI-AWEZNQCLSA-N 2 1 264.413 3.194 20 0 CGADMP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2ccco2)CC1 ZINC001258192715 807353629 /nfs/dbraw/zinc/35/36/29/807353629.db2.gz PAOHPSPZISUFEV-AWEZNQCLSA-N 2 1 264.413 3.017 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CCC1(F)F ZINC001168313358 807378610 /nfs/dbraw/zinc/37/86/10/807378610.db2.gz ACBBRTWRIQJVIO-IYXRBSQSSA-N 2 1 274.399 3.226 20 0 CGADMP Cc1cc[nH+]c2cc(NC3C[NH+](C(C)C)C3)ccc12 ZINC001168314060 807381164 /nfs/dbraw/zinc/38/11/64/807381164.db2.gz JLHGACPKEAUFJA-UHFFFAOYSA-N 2 1 255.365 3.048 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)cn1 ZINC001168328217 807386784 /nfs/dbraw/zinc/38/67/84/807386784.db2.gz ZZGTVFLHNAKULZ-ABHNRTSZSA-N 2 1 287.451 3.400 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001258324067 807410679 /nfs/dbraw/zinc/41/06/79/807410679.db2.gz MCXPAAKVNWZVHW-HIFPTAJRSA-N 2 1 258.475 3.108 20 0 CGADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC23CCCCC3)CC1 ZINC001168372873 807395865 /nfs/dbraw/zinc/39/58/65/807395865.db2.gz NDASZOPSMDLADU-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H](N)C1 ZINC001258295677 807401626 /nfs/dbraw/zinc/40/16/26/807401626.db2.gz PVROYELJEWXFLS-STQMWFEESA-N 2 1 282.453 3.103 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H](N)C1 ZINC001258295677 807401629 /nfs/dbraw/zinc/40/16/29/807401629.db2.gz PVROYELJEWXFLS-STQMWFEESA-N 2 1 282.453 3.103 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001258295677 807401632 /nfs/dbraw/zinc/40/16/32/807401632.db2.gz PVROYELJEWXFLS-STQMWFEESA-N 2 1 282.453 3.103 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001258295677 807401636 /nfs/dbraw/zinc/40/16/36/807401636.db2.gz PVROYELJEWXFLS-STQMWFEESA-N 2 1 282.453 3.103 20 0 CGADMP C[C@H](Cc1cccc(F)c1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001168496840 807436526 /nfs/dbraw/zinc/43/65/26/807436526.db2.gz LQCXBXHTNSLLAV-CYBMUJFWSA-N 2 1 287.382 3.293 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001258443432 807453134 /nfs/dbraw/zinc/45/31/34/807453134.db2.gz MIXKIIHFDQFGDC-HRCADAONSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258453322 807459533 /nfs/dbraw/zinc/45/95/33/807459533.db2.gz OTRBNVYKEFLHDS-WBAXXEDZSA-N 2 1 287.451 3.342 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168736180 807499867 /nfs/dbraw/zinc/49/98/67/807499867.db2.gz VZCCAZQWXOFAQO-HNNXBMFYSA-N 2 1 292.854 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168736180 807499872 /nfs/dbraw/zinc/49/98/72/807499872.db2.gz VZCCAZQWXOFAQO-HNNXBMFYSA-N 2 1 292.854 3.223 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258676393 807540604 /nfs/dbraw/zinc/54/06/04/807540604.db2.gz BOHZSEWHDQFBTJ-MNOVXSKESA-N 2 1 289.250 3.451 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169096746 807573293 /nfs/dbraw/zinc/57/32/93/807573293.db2.gz YCAIUNXZXGBYCR-OSYLJGHBSA-N 2 1 288.435 3.189 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169093895 807573949 /nfs/dbraw/zinc/57/39/49/807573949.db2.gz JRHZGBCRZBPFHO-QSPRXWTASA-N 2 1 258.409 3.271 20 0 CGADMP C[C@@H]([NH3+])c1ccc2c(ccn2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095704 807574510 /nfs/dbraw/zinc/57/45/10/807574510.db2.gz RRAXARVGPUEFGL-VZEFYGNVSA-N 2 1 283.419 3.459 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc31)C2 ZINC001169100678 807575634 /nfs/dbraw/zinc/57/56/34/807575634.db2.gz LFKYEVPVFFKAES-JYYAWHABSA-N 2 1 274.383 3.028 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101555 807577912 /nfs/dbraw/zinc/57/79/12/807577912.db2.gz UFIKJFKVXWAGGZ-KYHPRHEASA-N 2 1 270.420 3.197 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC13CCC(F)(F)CC3)C2 ZINC001169115017 807580894 /nfs/dbraw/zinc/58/08/94/807580894.db2.gz GUZCAXSAPJXYAL-FQUUOJAGSA-N 2 1 284.394 3.169 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC001169122981 807582708 /nfs/dbraw/zinc/58/27/08/807582708.db2.gz GTHZSNKWEYZJBA-QCEMKRCNSA-N 2 1 276.399 3.410 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)CC1CC1)C2 ZINC001169119112 807582785 /nfs/dbraw/zinc/58/27/85/807582785.db2.gz QWKCQAZSUVMTHQ-QKDCVEJESA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](C(F)(F)F)CC1)C2 ZINC001169123708 807585814 /nfs/dbraw/zinc/58/58/14/807585814.db2.gz MJWLMHQHMANMMI-ZAEXQNMVSA-N 2 1 290.373 3.322 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001169142896 807591096 /nfs/dbraw/zinc/59/10/96/807591096.db2.gz XDCJKZSFODRQNM-INDMIFKZSA-N 2 1 284.447 3.176 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001169142896 807591105 /nfs/dbraw/zinc/59/11/05/807591105.db2.gz XDCJKZSFODRQNM-INDMIFKZSA-N 2 1 284.447 3.176 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001169142896 807591108 /nfs/dbraw/zinc/59/11/08/807591108.db2.gz XDCJKZSFODRQNM-INDMIFKZSA-N 2 1 284.447 3.176 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147045 807593094 /nfs/dbraw/zinc/59/30/94/807593094.db2.gz RTYJYMPOEBCIQY-RGKVLUKRSA-N 2 1 270.420 3.257 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147045 807593097 /nfs/dbraw/zinc/59/30/97/807593097.db2.gz RTYJYMPOEBCIQY-RGKVLUKRSA-N 2 1 270.420 3.257 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147045 807593101 /nfs/dbraw/zinc/59/31/01/807593101.db2.gz RTYJYMPOEBCIQY-RGKVLUKRSA-N 2 1 270.420 3.257 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147045 807593106 /nfs/dbraw/zinc/59/31/06/807593106.db2.gz RTYJYMPOEBCIQY-RGKVLUKRSA-N 2 1 270.420 3.257 20 0 CGADMP CC1(C)C[C@H](Nc2cccn3cc[nH+]c23)C[C@](C)(C[NH3+])C1 ZINC001169149126 807594020 /nfs/dbraw/zinc/59/40/20/807594020.db2.gz YCWXGWPKHXXYGB-GUYCJALGSA-N 2 1 286.423 3.290 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+]1CCO[C@H](CN2CCCC2)C1 ZINC001258764229 807599820 /nfs/dbraw/zinc/59/98/20/807599820.db2.gz MLCLXHHEYNXGCY-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCO[C@H](CN2CCCC2)C1 ZINC001258764229 807599825 /nfs/dbraw/zinc/59/98/25/807599825.db2.gz MLCLXHHEYNXGCY-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+]1CCC([NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC001258772576 807604824 /nfs/dbraw/zinc/60/48/24/807604824.db2.gz UCPMODFCTMUOSG-UHFFFAOYSA-N 2 1 278.362 3.135 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC001169241128 807612278 /nfs/dbraw/zinc/61/22/78/807612278.db2.gz HYFZMBYXPNMOKT-MRXNPFEDSA-N 2 1 282.378 3.490 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001169255198 807615523 /nfs/dbraw/zinc/61/55/23/807615523.db2.gz NOMDDILTTJCTRY-KRWDZBQOSA-N 2 1 258.409 3.308 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001169255198 807615527 /nfs/dbraw/zinc/61/55/27/807615527.db2.gz NOMDDILTTJCTRY-KRWDZBQOSA-N 2 1 258.409 3.308 20 0 CGADMP COCC[NH+]1CCC([NH2+]C(CC(C)C)CC(C)C)CC1 ZINC001258832502 807647978 /nfs/dbraw/zinc/64/79/78/807647978.db2.gz YWHWCUPSBHJWCE-UHFFFAOYSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258851090 807659698 /nfs/dbraw/zinc/65/96/98/807659698.db2.gz NXYLCHMBEFSBNE-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258851090 807659701 /nfs/dbraw/zinc/65/97/01/807659701.db2.gz NXYLCHMBEFSBNE-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258851090 807659707 /nfs/dbraw/zinc/65/97/07/807659707.db2.gz NXYLCHMBEFSBNE-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001258906928 807672609 /nfs/dbraw/zinc/67/26/09/807672609.db2.gz NBBAJCTXDXJFMZ-FGTMMUONSA-N 3 1 297.531 3.205 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C[C@H]1C ZINC001258906928 807672611 /nfs/dbraw/zinc/67/26/11/807672611.db2.gz NBBAJCTXDXJFMZ-FGTMMUONSA-N 2 1 297.531 3.205 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC001258907059 807672798 /nfs/dbraw/zinc/67/27/98/807672798.db2.gz DSEGFJSZQMAUOQ-OAHLLOKOSA-N 2 1 263.429 3.024 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccn2C2CC2)C1 ZINC001261255225 807721661 /nfs/dbraw/zinc/72/16/61/807721661.db2.gz QJLAJSYRPHFGDU-INIZCTEOSA-N 2 1 289.467 3.281 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090505 807754375 /nfs/dbraw/zinc/75/43/75/807754375.db2.gz LVDJSYYDHXJEBG-ZACQAIPSSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090505 807754377 /nfs/dbraw/zinc/75/43/77/807754377.db2.gz LVDJSYYDHXJEBG-ZACQAIPSSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090505 807754382 /nfs/dbraw/zinc/75/43/82/807754382.db2.gz LVDJSYYDHXJEBG-ZACQAIPSSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1ccccc1Cl ZINC001170250643 807804457 /nfs/dbraw/zinc/80/44/57/807804457.db2.gz QIGZOLJFRXORTR-CYBMUJFWSA-N 2 1 268.832 3.330 20 0 CGADMP CSC(C)(C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262379275 807862700 /nfs/dbraw/zinc/86/27/00/807862700.db2.gz WJFBCSOXVMBICS-RRFJBIMHSA-N 2 1 284.513 3.180 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171032597 807966031 /nfs/dbraw/zinc/96/60/31/807966031.db2.gz GYIGYIHNRPUTTI-HACGYAERSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171032597 807966036 /nfs/dbraw/zinc/96/60/36/807966036.db2.gz GYIGYIHNRPUTTI-HACGYAERSA-N 2 1 292.854 3.127 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1(C)C ZINC001171628574 808107960 /nfs/dbraw/zinc/10/79/60/808107960.db2.gz BLYDTWZWDMTBST-OKILXGFUSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)O[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641629 808111869 /nfs/dbraw/zinc/11/18/69/808111869.db2.gz RBNVRHGAZBUOKS-OAHLLOKOSA-N 2 1 282.472 3.137 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171681966 808123286 /nfs/dbraw/zinc/12/32/86/808123286.db2.gz PMODQSBYXZMLGP-QRQLOZEOSA-N 2 1 286.463 3.200 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171681966 808123291 /nfs/dbraw/zinc/12/32/91/808123291.db2.gz PMODQSBYXZMLGP-QRQLOZEOSA-N 2 1 286.463 3.200 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171681966 808123294 /nfs/dbraw/zinc/12/32/94/808123294.db2.gz PMODQSBYXZMLGP-QRQLOZEOSA-N 2 1 286.463 3.200 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171774747 808135501 /nfs/dbraw/zinc/13/55/01/808135501.db2.gz DEBFCRIWOMLYFB-HNNXBMFYSA-N 2 1 278.415 3.005 20 0 CGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171790231 808140422 /nfs/dbraw/zinc/14/04/22/808140422.db2.gz GXHMQKSPBVZHCQ-GOEBONIOSA-N 2 1 290.426 3.134 20 0 CGADMP COCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977889 808162874 /nfs/dbraw/zinc/16/28/74/808162874.db2.gz URAZDBMJEHYJFA-KRWDZBQOSA-N 2 1 290.451 3.008 20 0 CGADMP COCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977889 808162879 /nfs/dbraw/zinc/16/28/79/808162879.db2.gz URAZDBMJEHYJFA-KRWDZBQOSA-N 2 1 290.451 3.008 20 0 CGADMP COCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977889 808162885 /nfs/dbraw/zinc/16/28/85/808162885.db2.gz URAZDBMJEHYJFA-KRWDZBQOSA-N 2 1 290.451 3.008 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CC2)C3)cc1 ZINC001172069481 808170077 /nfs/dbraw/zinc/17/00/77/808170077.db2.gz UGIMGOARGOFQCX-NNZMDNLPSA-N 2 1 270.420 3.324 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3c1cccc3C[NH3+])C2 ZINC001172099577 808172747 /nfs/dbraw/zinc/17/27/47/808172747.db2.gz LFMSRMTZXNKBTM-ZSHCYNCHSA-N 2 1 283.419 3.288 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc3ncccc13)C2 ZINC001172104417 808174199 /nfs/dbraw/zinc/17/41/99/808174199.db2.gz FSRTZFHEVOKYFC-BJWYYQGGSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC001172103424 808174852 /nfs/dbraw/zinc/17/48/52/808174852.db2.gz UMLSWCYBJGTAKS-IDRNCYNVSA-N 2 1 288.479 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC001172103424 808174856 /nfs/dbraw/zinc/17/48/56/808174856.db2.gz UMLSWCYBJGTAKS-IDRNCYNVSA-N 2 1 288.479 3.416 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc31)C2 ZINC001172106508 808175594 /nfs/dbraw/zinc/17/55/94/808175594.db2.gz PTKQLDJRQGMUCL-KYHPRHEASA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc31)C2 ZINC001172106508 808175598 /nfs/dbraw/zinc/17/55/98/808175598.db2.gz PTKQLDJRQGMUCL-KYHPRHEASA-N 2 1 288.410 3.418 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001172105748 808175860 /nfs/dbraw/zinc/17/58/60/808175860.db2.gz KCMKKJULHJRAAZ-DFGXFYAUSA-N 2 1 287.451 3.384 20 0 CGADMP Cc1ncccc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172108498 808176130 /nfs/dbraw/zinc/17/61/30/808176130.db2.gz AQCZHYGAJPYFOF-SFNKJDCFSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ncccc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172108498 808176133 /nfs/dbraw/zinc/17/61/33/808176133.db2.gz AQCZHYGAJPYFOF-SFNKJDCFSA-N 2 1 299.462 3.446 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC001172107433 808176560 /nfs/dbraw/zinc/17/65/60/808176560.db2.gz XKUBCSDLRZUJRH-MIGQKNRLSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC001172107433 808176564 /nfs/dbraw/zinc/17/65/64/808176564.db2.gz XKUBCSDLRZUJRH-MIGQKNRLSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccccc3C1)C2 ZINC001172105961 808176902 /nfs/dbraw/zinc/17/69/02/808176902.db2.gz LPZSIARXKFCHKU-CADBVGFASA-N 2 1 284.447 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccccc3C1)C2 ZINC001172105961 808176905 /nfs/dbraw/zinc/17/69/05/808176905.db2.gz LPZSIARXKFCHKU-CADBVGFASA-N 2 1 284.447 3.149 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccn3)CCC1)C2 ZINC001172109065 808179380 /nfs/dbraw/zinc/17/93/80/808179380.db2.gz BVIJCMJAHXXQHL-BCDXTJNWSA-N 2 1 299.462 3.152 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccn3)CCC1)C2 ZINC001172109065 808179382 /nfs/dbraw/zinc/17/93/82/808179382.db2.gz BVIJCMJAHXXQHL-BCDXTJNWSA-N 2 1 299.462 3.152 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(F)(F)C(C)(C)C1)C2 ZINC001172120831 808183190 /nfs/dbraw/zinc/18/31/90/808183190.db2.gz NHGLHXPNCQLTFT-BTTYYORXSA-N 2 1 286.410 3.369 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(F)(F)C(C)(C)C1)C2 ZINC001172120831 808183193 /nfs/dbraw/zinc/18/31/93/808183193.db2.gz NHGLHXPNCQLTFT-BTTYYORXSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC(F)(F)C(C)(C)C1)C2 ZINC001172120831 808183195 /nfs/dbraw/zinc/18/31/95/808183195.db2.gz NHGLHXPNCQLTFT-BTTYYORXSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC(F)(F)C(C)(C)C1)C2 ZINC001172120831 808183200 /nfs/dbraw/zinc/18/32/00/808183200.db2.gz NHGLHXPNCQLTFT-BTTYYORXSA-N 2 1 286.410 3.369 20 0 CGADMP CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129419 808186418 /nfs/dbraw/zinc/18/64/18/808186418.db2.gz ZNEQJWMBWDMIOS-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129419 808186423 /nfs/dbraw/zinc/18/64/23/808186423.db2.gz ZNEQJWMBWDMIOS-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129419 808186428 /nfs/dbraw/zinc/18/64/28/808186428.db2.gz ZNEQJWMBWDMIOS-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129419 808186432 /nfs/dbraw/zinc/18/64/32/808186432.db2.gz ZNEQJWMBWDMIOS-WCVJEAGWSA-N 2 1 250.430 3.124 20 0 CGADMP Cc1ccc2c(c1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172129486 808186731 /nfs/dbraw/zinc/18/67/31/808186731.db2.gz AXZMUDUDAMSBNI-BWTSREIZSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172129486 808186734 /nfs/dbraw/zinc/18/67/34/808186734.db2.gz AXZMUDUDAMSBNI-BWTSREIZSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172129486 808186738 /nfs/dbraw/zinc/18/67/38/808186738.db2.gz AXZMUDUDAMSBNI-BWTSREIZSA-N 2 1 284.447 3.368 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172314837 808225206 /nfs/dbraw/zinc/22/52/06/808225206.db2.gz FFVMKTQUYVFGJT-HZPDHXFCSA-N 2 1 272.477 3.292 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172323305 808231571 /nfs/dbraw/zinc/23/15/71/808231571.db2.gz GVEZHEDIMBSZLT-OVYGPGRDSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172323305 808231577 /nfs/dbraw/zinc/23/15/77/808231577.db2.gz GVEZHEDIMBSZLT-OVYGPGRDSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172347305 808245717 /nfs/dbraw/zinc/24/57/17/808245717.db2.gz FCACUDYBMQJKJY-ULQDDVLXSA-N 2 1 284.488 3.421 20 0 CGADMP CC[C@H](CC(C)C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001172398486 808287197 /nfs/dbraw/zinc/28/71/97/808287197.db2.gz FICCLCHRCMGKMA-SJORKVTESA-N 2 1 260.425 3.197 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001172398486 808287200 /nfs/dbraw/zinc/28/72/00/808287200.db2.gz FICCLCHRCMGKMA-SJORKVTESA-N 2 1 260.425 3.197 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CCOC(C)C)CC1 ZINC001172455768 808325881 /nfs/dbraw/zinc/32/58/81/808325881.db2.gz AVEGJQMOVYSVQK-MRXNPFEDSA-N 2 1 284.488 3.386 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172568954 808393870 /nfs/dbraw/zinc/39/38/70/808393870.db2.gz QUOYMCCSIDWPTC-GUDVDZBRSA-N 2 1 284.447 3.350 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172568954 808393878 /nfs/dbraw/zinc/39/38/78/808393878.db2.gz QUOYMCCSIDWPTC-GUDVDZBRSA-N 2 1 284.447 3.350 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172568954 808393886 /nfs/dbraw/zinc/39/38/86/808393886.db2.gz QUOYMCCSIDWPTC-GUDVDZBRSA-N 2 1 284.447 3.350 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001172925990 808483626 /nfs/dbraw/zinc/48/36/26/808483626.db2.gz MSONWMXUFMZYIZ-BPQIPLTHSA-N 2 1 290.451 3.041 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001173247279 808555157 /nfs/dbraw/zinc/55/51/57/808555157.db2.gz OANOGICQOUCLNZ-QFBILLFUSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(C[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001173247279 808555160 /nfs/dbraw/zinc/55/51/60/808555160.db2.gz OANOGICQOUCLNZ-QFBILLFUSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(C[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001173247279 808555163 /nfs/dbraw/zinc/55/51/63/808555163.db2.gz OANOGICQOUCLNZ-QFBILLFUSA-N 2 1 286.463 3.208 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001173273590 808577297 /nfs/dbraw/zinc/57/72/97/808577297.db2.gz OEULLNANMXSQFB-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001173273590 808577301 /nfs/dbraw/zinc/57/73/01/808577301.db2.gz OEULLNANMXSQFB-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CC[C@H](n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)C1 ZINC001173360611 808630460 /nfs/dbraw/zinc/63/04/60/808630460.db2.gz QHLKBCCZDHQPIT-ZBFHGGJFSA-N 2 1 285.435 3.106 20 0 CGADMP COC(=O)CCCC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001173437034 808634536 /nfs/dbraw/zinc/63/45/36/808634536.db2.gz HVYXNJOWXGFSRX-HNNXBMFYSA-N 2 1 298.471 3.092 20 0 CGADMP C1=CC[C@@H](C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)CC1 ZINC001275040767 808900079 /nfs/dbraw/zinc/90/00/79/808900079.db2.gz SCLYQQNFRHZHMQ-MRXNPFEDSA-N 2 1 274.452 3.293 20 0 CGADMP C1=CC[C@@H](C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)CC1 ZINC001275040767 808900087 /nfs/dbraw/zinc/90/00/87/808900087.db2.gz SCLYQQNFRHZHMQ-MRXNPFEDSA-N 2 1 274.452 3.293 20 0 CGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061129 808903503 /nfs/dbraw/zinc/90/35/03/808903503.db2.gz CQPYYZJDZBSCIG-ZACQAIPSSA-N 2 1 289.467 3.205 20 0 CGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061129 808903511 /nfs/dbraw/zinc/90/35/11/808903511.db2.gz CQPYYZJDZBSCIG-ZACQAIPSSA-N 2 1 289.467 3.205 20 0 CGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061129 808903518 /nfs/dbraw/zinc/90/35/18/808903518.db2.gz CQPYYZJDZBSCIG-ZACQAIPSSA-N 2 1 289.467 3.205 20 0 CGADMP Cc1[nH]c2ccccc2c1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275956445 808978799 /nfs/dbraw/zinc/97/87/99/808978799.db2.gz JTWHWKFMJKQNEN-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275956445 808978804 /nfs/dbraw/zinc/97/88/04/808978804.db2.gz JTWHWKFMJKQNEN-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275956445 808978810 /nfs/dbraw/zinc/97/88/10/808978810.db2.gz JTWHWKFMJKQNEN-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001276030562 808984629 /nfs/dbraw/zinc/98/46/29/808984629.db2.gz DQOXWMVKAXVKSS-NCOADZHNSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276030562 808984634 /nfs/dbraw/zinc/98/46/34/808984634.db2.gz DQOXWMVKAXVKSS-NCOADZHNSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001276030562 808984638 /nfs/dbraw/zinc/98/46/38/808984638.db2.gz DQOXWMVKAXVKSS-NCOADZHNSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276031393 808984713 /nfs/dbraw/zinc/98/47/13/808984713.db2.gz IOLUBEUFXXSAIW-SOLBZPMBSA-N 2 1 276.468 3.373 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3[nH]ccc31)C2 ZINC001276233015 808994153 /nfs/dbraw/zinc/99/41/53/808994153.db2.gz PUPQJJSXZCROSJ-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC001276233015 808994156 /nfs/dbraw/zinc/99/41/56/808994156.db2.gz PUPQJJSXZCROSJ-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC001276233015 808994159 /nfs/dbraw/zinc/99/41/59/808994159.db2.gz PUPQJJSXZCROSJ-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP CCc1ccccc1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175069624 809259263 /nfs/dbraw/zinc/25/92/63/809259263.db2.gz FPYMAVCRTYQTPF-ROUUACIJSA-N 2 1 272.436 3.023 20 0 CGADMP Cc1[nH+]c2c(Nc3cc(C)[nH+]c(C)c3)cccn2c1C ZINC001176051719 809608968 /nfs/dbraw/zinc/60/89/68/809608968.db2.gz IPCVBDZHOANLLH-UHFFFAOYSA-N 2 1 266.348 3.128 20 0 CGADMP Cc1ccccc1C1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC001177604060 809812059 /nfs/dbraw/zinc/81/20/59/809812059.db2.gz GKMUTSPNCCJUPE-UHFFFAOYSA-N 2 1 295.430 3.277 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001178934854 809895291 /nfs/dbraw/zinc/89/52/91/809895291.db2.gz SGGWEKIANDQXKK-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC001178934854 809895293 /nfs/dbraw/zinc/89/52/93/809895293.db2.gz SGGWEKIANDQXKK-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CC[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1C ZINC001179997595 809966417 /nfs/dbraw/zinc/96/64/17/809966417.db2.gz QAALYBUNPONRHR-SFHVURJKSA-N 2 1 274.452 3.120 20 0 CGADMP Cc1ccc(CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1C ZINC001179997595 809966422 /nfs/dbraw/zinc/96/64/22/809966422.db2.gz QAALYBUNPONRHR-SFHVURJKSA-N 2 1 274.452 3.120 20 0 CGADMP Cc1ccc(CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC001179997595 809966426 /nfs/dbraw/zinc/96/64/26/809966426.db2.gz QAALYBUNPONRHR-SFHVURJKSA-N 2 1 274.452 3.120 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3cccc(F)c3[C@H]2C)CC1 ZINC001180238798 809985589 /nfs/dbraw/zinc/98/55/89/809985589.db2.gz BTANTIUASNRODI-CQSZACIVSA-N 2 1 290.426 3.477 20 0 CGADMP COCC[N@@H+](CCCC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001196781954 811366196 /nfs/dbraw/zinc/36/61/96/811366196.db2.gz LJGUURANZYHBLM-UHFFFAOYSA-N 2 1 284.488 3.103 20 0 CGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CC1CC=CC1)C2 ZINC001197591369 811431654 /nfs/dbraw/zinc/43/16/54/811431654.db2.gz YAYCZMONVIZJTK-UXHICEINSA-N 2 1 296.458 3.407 20 0 CGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CC1CC=CC1)C2 ZINC001197591369 811431657 /nfs/dbraw/zinc/43/16/57/811431657.db2.gz YAYCZMONVIZJTK-UXHICEINSA-N 2 1 296.458 3.407 20 0 CGADMP C[C@]12C[NH+](CC3CC=CC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001197591369 811431660 /nfs/dbraw/zinc/43/16/60/811431660.db2.gz YAYCZMONVIZJTK-UXHICEINSA-N 2 1 296.458 3.407 20 0 CGADMP C[C@]12C[NH+](CC3CC=CC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001197591369 811431664 /nfs/dbraw/zinc/43/16/64/811431664.db2.gz YAYCZMONVIZJTK-UXHICEINSA-N 2 1 296.458 3.407 20 0 CGADMP CC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201442213 811850067 /nfs/dbraw/zinc/85/00/67/811850067.db2.gz UVHSDMXTVUJLOT-ROUUACIJSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201442213 811850078 /nfs/dbraw/zinc/85/00/78/811850078.db2.gz UVHSDMXTVUJLOT-ROUUACIJSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201442213 811850090 /nfs/dbraw/zinc/85/00/90/811850090.db2.gz UVHSDMXTVUJLOT-ROUUACIJSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC001201558201 811903662 /nfs/dbraw/zinc/90/36/62/811903662.db2.gz QXXOIMAXTGXHRO-ARFHVFGLSA-N 2 1 252.446 3.133 20 0 CGADMP CSCCC[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001201697496 811939565 /nfs/dbraw/zinc/93/95/65/811939565.db2.gz FWQPIHJNXBDJGJ-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201717255 811946150 /nfs/dbraw/zinc/94/61/50/811946150.db2.gz IPSQGVJEGRFBFL-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201717255 811946155 /nfs/dbraw/zinc/94/61/55/811946155.db2.gz IPSQGVJEGRFBFL-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201717255 811946160 /nfs/dbraw/zinc/94/61/60/811946160.db2.gz IPSQGVJEGRFBFL-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203306600 812305540 /nfs/dbraw/zinc/30/55/40/812305540.db2.gz YMCBWPPAFVFTAO-IRXDYDNUSA-N 2 1 298.455 3.312 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204172315 812564500 /nfs/dbraw/zinc/56/45/00/812564500.db2.gz ULCZXBPPQHSWHQ-UHFFFAOYSA-N 2 1 295.430 3.437 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)oc1C ZINC001204541641 812673880 /nfs/dbraw/zinc/67/38/80/812673880.db2.gz NWNUQAUVUFDHMZ-MRXNPFEDSA-N 2 1 286.375 3.335 20 0 CGADMP CCC(CC)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)CCO1 ZINC001205007001 812822114 /nfs/dbraw/zinc/82/21/14/812822114.db2.gz BWHYVTJZLRJFEV-DLBZAZTESA-N 2 1 282.472 3.044 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001205016290 812826789 /nfs/dbraw/zinc/82/67/89/812826789.db2.gz IGBQYGIYGHDQIQ-AWEZNQCLSA-N 2 1 274.433 3.333 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001205016290 812826795 /nfs/dbraw/zinc/82/67/95/812826795.db2.gz IGBQYGIYGHDQIQ-AWEZNQCLSA-N 2 1 274.433 3.333 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001205018651 812829054 /nfs/dbraw/zinc/82/90/54/812829054.db2.gz XAGKHSWRYBKVST-CQSZACIVSA-N 2 1 276.399 3.135 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001205018651 812829061 /nfs/dbraw/zinc/82/90/61/812829061.db2.gz XAGKHSWRYBKVST-CQSZACIVSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCCCOCc1ccccc1 ZINC001205058180 812840957 /nfs/dbraw/zinc/84/09/57/812840957.db2.gz FUSGYFDMLXHVBG-WMZOPIPTSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCCCOCc1ccccc1 ZINC001205058180 812840969 /nfs/dbraw/zinc/84/09/69/812840969.db2.gz FUSGYFDMLXHVBG-WMZOPIPTSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@H]1CC[C@@H](CN)[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205057940 812841596 /nfs/dbraw/zinc/84/15/96/812841596.db2.gz AJHSALWBTQKSSJ-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205057940 812841617 /nfs/dbraw/zinc/84/16/17/812841617.db2.gz AJHSALWBTQKSSJ-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2cccnc2)cc1 ZINC001205069342 812846121 /nfs/dbraw/zinc/84/61/21/812846121.db2.gz YFWQAKWAYMEXEN-KSSFIOAISA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2cccnc2)cc1 ZINC001205069342 812846132 /nfs/dbraw/zinc/84/61/32/812846132.db2.gz YFWQAKWAYMEXEN-KSSFIOAISA-N 2 1 281.403 3.060 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205101881 812866542 /nfs/dbraw/zinc/86/65/42/812866542.db2.gz NBUKHMQXBKHANM-INIZCTEOSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164751 812894746 /nfs/dbraw/zinc/89/47/46/812894746.db2.gz RXGZWIXLKQTNCM-GDBMZVCRSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001205264795 812921265 /nfs/dbraw/zinc/92/12/65/812921265.db2.gz MRDCWBDBYUIXAH-GFCCVEGCSA-N 2 1 258.818 3.105 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001205264795 812921271 /nfs/dbraw/zinc/92/12/71/812921271.db2.gz MRDCWBDBYUIXAH-GFCCVEGCSA-N 2 1 258.818 3.105 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264711 812921391 /nfs/dbraw/zinc/92/13/91/812921391.db2.gz KWZXBXZXHHPZQH-KRWDZBQOSA-N 2 1 289.398 3.319 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205266761 812922304 /nfs/dbraw/zinc/92/23/04/812922304.db2.gz XLOQFMKBBHTLNC-KRWDZBQOSA-N 2 1 276.424 3.179 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205296099 812936201 /nfs/dbraw/zinc/93/62/01/812936201.db2.gz GREPWKSLYJYLCB-YJBOKZPZSA-N 2 1 274.452 3.269 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1(C)C ZINC001205297139 812937360 /nfs/dbraw/zinc/93/73/60/812937360.db2.gz ZWGQXLTZAQUGMF-FVQBIDKESA-N 2 1 264.457 3.286 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC(C)C ZINC001205303264 812940671 /nfs/dbraw/zinc/94/06/71/812940671.db2.gz BSRZAILACGCITN-PBHICJAKSA-N 2 1 290.451 3.199 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)C[C@H]1C[NH3+] ZINC001205315351 812947865 /nfs/dbraw/zinc/94/78/65/812947865.db2.gz FDOIYZSNWSPQMA-WCQYABFASA-N 2 1 291.826 3.238 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205315336 812948011 /nfs/dbraw/zinc/94/80/11/812948011.db2.gz DWAKWSADRALGRN-FZMZJTMJSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205317324 812950477 /nfs/dbraw/zinc/95/04/77/812950477.db2.gz NSFPDUXBQLBWRC-RISCZKNCSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205317324 812950481 /nfs/dbraw/zinc/95/04/81/812950481.db2.gz NSFPDUXBQLBWRC-RISCZKNCSA-N 2 1 266.816 3.065 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205331207 812959127 /nfs/dbraw/zinc/95/91/27/812959127.db2.gz FWRPWFXVNLQUPH-HNNXBMFYSA-N 2 1 260.425 3.213 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205331207 812959134 /nfs/dbraw/zinc/95/91/34/812959134.db2.gz FWRPWFXVNLQUPH-HNNXBMFYSA-N 2 1 260.425 3.213 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC001205578861 813010235 /nfs/dbraw/zinc/01/02/35/813010235.db2.gz JFFJYZWPNIRXOQ-QGZVFWFLSA-N 2 1 276.399 3.217 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205602083 813017553 /nfs/dbraw/zinc/01/75/53/813017553.db2.gz HSGDXHHTOOGPCS-WBVHZDCISA-N 2 1 290.451 3.282 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1C[NH3+] ZINC001205599990 813018380 /nfs/dbraw/zinc/01/83/80/813018380.db2.gz AWLQUYUFMNWBIT-OCCSQVGLSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205602662 813019007 /nfs/dbraw/zinc/01/90/07/813019007.db2.gz LDYQIQFKFHQVLW-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)CC[C@H]1C[NH3+] ZINC001205603334 813019574 /nfs/dbraw/zinc/01/95/74/813019574.db2.gz ODJFMNCTNQQBIV-QWRGUYRKSA-N 2 1 272.845 3.208 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)o1 ZINC001205604750 813021809 /nfs/dbraw/zinc/02/18/09/813021809.db2.gz WQPIGAVKNQFZQO-LZWOXQAQSA-N 2 1 278.440 3.388 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3cccnc3c2)CC[C@H]1C[NH3+] ZINC001205616006 813026293 /nfs/dbraw/zinc/02/62/93/813026293.db2.gz BRHJLVPJJPRXSO-YOEHRIQHSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c[nH]c21 ZINC001205615770 813026951 /nfs/dbraw/zinc/02/69/51/813026951.db2.gz AVSVAVWIEPKYNZ-DZGCQCFKSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)CC[C@H]1C[NH3+] ZINC001205626300 813031461 /nfs/dbraw/zinc/03/14/61/813031461.db2.gz FNWSESLJMPCTPG-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)ccc2n1 ZINC001205625998 813032273 /nfs/dbraw/zinc/03/22/73/813032273.db2.gz DOQRQJLOYYFOOH-KDOFPFPSSA-N 2 1 297.446 3.350 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)s1 ZINC001205628316 813034831 /nfs/dbraw/zinc/03/48/31/813034831.db2.gz UYRRIUHRYFRGJP-VXGBXAGGSA-N 2 1 284.494 3.277 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205636118 813036596 /nfs/dbraw/zinc/03/65/96/813036596.db2.gz CGVZLUNDHXHKFZ-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3ncsc32)CC[C@H]1C[NH3+] ZINC001205639003 813038509 /nfs/dbraw/zinc/03/85/09/813038509.db2.gz UNOXQJMAGBSXEH-STQMWFEESA-N 2 1 289.448 3.103 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@]1(C)CCCS1 ZINC001205684179 813052232 /nfs/dbraw/zinc/05/22/32/813052232.db2.gz DLEOYCVHYFWHQO-OAHLLOKOSA-N 2 1 272.502 3.326 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205816762 813093496 /nfs/dbraw/zinc/09/34/96/813093496.db2.gz OCYJTVWCUAZUIW-UKRRQHHQSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205816762 813093503 /nfs/dbraw/zinc/09/35/03/813093503.db2.gz OCYJTVWCUAZUIW-UKRRQHHQSA-N 2 1 284.403 3.105 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1C ZINC001205830016 813100275 /nfs/dbraw/zinc/10/02/75/813100275.db2.gz QRJMKFVIKIHTIS-PXAZEXFGSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1C ZINC001205830016 813100280 /nfs/dbraw/zinc/10/02/80/813100280.db2.gz QRJMKFVIKIHTIS-PXAZEXFGSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001205839413 813104126 /nfs/dbraw/zinc/10/41/26/813104126.db2.gz FORVQFLNJQOAOC-GUYCJALGSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001205839413 813104132 /nfs/dbraw/zinc/10/41/32/813104132.db2.gz FORVQFLNJQOAOC-GUYCJALGSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC001205901097 813123473 /nfs/dbraw/zinc/12/34/73/813123473.db2.gz BHCBFTWRROSRRU-KBXCAEBGSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2cc(Cl)ccc2[nH]1 ZINC001205903688 813126475 /nfs/dbraw/zinc/12/64/75/813126475.db2.gz QSCWEGLNZYTBTR-NEPJUHHUSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001205904430 813126557 /nfs/dbraw/zinc/12/65/57/813126557.db2.gz VDNJPQZTSOKJSW-YPMHNXCESA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001205904430 813126558 /nfs/dbraw/zinc/12/65/58/813126558.db2.gz VDNJPQZTSOKJSW-YPMHNXCESA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2ccccc21 ZINC001205904419 813126590 /nfs/dbraw/zinc/12/65/90/813126590.db2.gz VAWVWJGLASPTEB-ZBFHGGJFSA-N 2 1 268.404 3.399 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205912873 813129675 /nfs/dbraw/zinc/12/96/75/813129675.db2.gz DJHRKVGJEVWVRE-WMLDXEAASA-N 2 1 260.425 3.198 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205916098 813132626 /nfs/dbraw/zinc/13/26/26/813132626.db2.gz RTDOJPXYWJTNPA-RHSMWYFYSA-N 2 1 260.425 3.369 20 0 CGADMP CCc1cccc2c(C[N@@H+]3CCCC[C@H]([NH3+])C3)c[nH]c21 ZINC001205931489 813139228 /nfs/dbraw/zinc/13/92/28/813139228.db2.gz JUHBNJFRXCEWDJ-HNNXBMFYSA-N 2 1 271.408 3.044 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCCC[C@H]([NH3+])C3)c[nH]c21 ZINC001205931489 813139230 /nfs/dbraw/zinc/13/92/30/813139230.db2.gz JUHBNJFRXCEWDJ-HNNXBMFYSA-N 2 1 271.408 3.044 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205992005 813154717 /nfs/dbraw/zinc/15/47/17/813154717.db2.gz CUSDLZQKQLLBKQ-UONOGXRCSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001205996179 813157040 /nfs/dbraw/zinc/15/70/40/813157040.db2.gz VTRHHVJXNOPTSE-DOTOQJQBSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c[nH]c2c1 ZINC001205996588 813158075 /nfs/dbraw/zinc/15/80/75/813158075.db2.gz XNASEWADNAVGIV-GJZGRUSLSA-N 2 1 285.435 3.283 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC001205996808 813158563 /nfs/dbraw/zinc/15/85/63/813158563.db2.gz YQRZUFUTQNCIST-NVXWUHKLSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3cnccc32)CCC[C@@H]1C[NH3+] ZINC001206002748 813161665 /nfs/dbraw/zinc/16/16/65/813161665.db2.gz AIDNISPTONGCCH-LSDHHAIUSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206004801 813162078 /nfs/dbraw/zinc/16/20/78/813162078.db2.gz VPFCYLDVLZMGEN-WCQYABFASA-N 2 1 284.806 3.286 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206024395 813169416 /nfs/dbraw/zinc/16/94/16/813169416.db2.gz JIVBGOXWFYHIJX-UKRRQHHQSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc(F)c1F ZINC001206026225 813169898 /nfs/dbraw/zinc/16/98/98/813169898.db2.gz QYVABJJVELVEBK-DGCLKSJQSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163210 813219251 /nfs/dbraw/zinc/21/92/51/813219251.db2.gz AQJRJCIGVOMGIA-UONOGXRCSA-N 2 1 292.423 3.471 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163211 813219841 /nfs/dbraw/zinc/21/98/41/813219841.db2.gz AQJRJCIGVOMGIA-ZIAGYGMSSA-N 2 1 292.423 3.471 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2csc3ccccc23)CC[C@H]1F ZINC001206174082 813226701 /nfs/dbraw/zinc/22/67/01/813226701.db2.gz LVGAPIJHEBHISO-ZIAGYGMSSA-N 2 1 278.396 3.163 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206189822 813233277 /nfs/dbraw/zinc/23/32/77/813233277.db2.gz XQWYINRZJIEQFJ-IAGOWNOFSA-N 2 1 278.415 3.290 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206212953 813242974 /nfs/dbraw/zinc/24/29/74/813242974.db2.gz TZUGEFSGJXRBIE-KBPBESRZSA-N 2 1 282.428 3.060 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206286326 813272218 /nfs/dbraw/zinc/27/22/18/813272218.db2.gz SFCBYYZMHHKFQY-CQSZACIVSA-N 2 1 290.451 3.132 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206286326 813272225 /nfs/dbraw/zinc/27/22/25/813272225.db2.gz SFCBYYZMHHKFQY-CQSZACIVSA-N 2 1 290.451 3.132 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1C ZINC001206296747 813276177 /nfs/dbraw/zinc/27/61/77/813276177.db2.gz UMMQKDJXEFWZTB-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2F)CC1 ZINC001206296391 813276475 /nfs/dbraw/zinc/27/64/75/813276475.db2.gz SFCOQOWHCCRJPT-KRWDZBQOSA-N 2 1 278.415 3.209 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ncccc23)CC1 ZINC001206303661 813280753 /nfs/dbraw/zinc/28/07/53/813280753.db2.gz FRGCUOMSXYBKRG-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311749 813284250 /nfs/dbraw/zinc/28/42/50/813284250.db2.gz UIVTWAUFJGSBMS-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1C ZINC001206325282 813290323 /nfs/dbraw/zinc/29/03/23/813290323.db2.gz HBQXOUPUCZVZDU-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541982 813344347 /nfs/dbraw/zinc/34/43/47/813344347.db2.gz OPIURSYJTKVIRM-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(C)c1C ZINC001206541858 813345113 /nfs/dbraw/zinc/34/51/13/813345113.db2.gz LZUARDSUFRHHRH-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001206546989 813346569 /nfs/dbraw/zinc/34/65/69/813346569.db2.gz AJZQOMQFULZFHY-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206547072 813347554 /nfs/dbraw/zinc/34/75/54/813347554.db2.gz BECDEEGMAZBQAA-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(C)s1 ZINC001206548811 813349119 /nfs/dbraw/zinc/34/91/19/813349119.db2.gz JHQFDCRZJZKGEY-OAHLLOKOSA-N 2 1 266.454 3.316 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206549833 813349800 /nfs/dbraw/zinc/34/98/00/813349800.db2.gz QNSUKEQMIBQMDA-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206554896 813352762 /nfs/dbraw/zinc/35/27/62/813352762.db2.gz IAYGSJTWPNPMBK-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206554896 813352770 /nfs/dbraw/zinc/35/27/70/813352770.db2.gz IAYGSJTWPNPMBK-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP CC(C)(C)c1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccn1 ZINC001206563304 813354937 /nfs/dbraw/zinc/35/49/37/813354937.db2.gz BQFRRADQNZPMDJ-GOSISDBHSA-N 2 1 289.467 3.330 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001206573226 813359042 /nfs/dbraw/zinc/35/90/42/813359042.db2.gz KJHFIMKFHMKWIG-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001206573226 813359050 /nfs/dbraw/zinc/35/90/50/813359050.db2.gz KJHFIMKFHMKWIG-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206582981 813362122 /nfs/dbraw/zinc/36/21/22/813362122.db2.gz RBVXJXWXFXLCAK-MRXNPFEDSA-N 2 1 264.388 3.178 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001206582584 813362658 /nfs/dbraw/zinc/36/26/58/813362658.db2.gz ODQUKIFHGOLJGR-SFHVURJKSA-N 2 1 272.436 3.126 20 0 CGADMP COc1cc(F)c(C)cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206582133 813362803 /nfs/dbraw/zinc/36/28/03/813362803.db2.gz MCLOLAJXYPDJHC-QGZVFWFLSA-N 2 1 294.414 3.094 20 0 CGADMP COc1cc(F)c(C)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206582133 813362809 /nfs/dbraw/zinc/36/28/09/813362809.db2.gz MCLOLAJXYPDJHC-QGZVFWFLSA-N 2 1 294.414 3.094 20 0 CGADMP CC(C)[N@@H+](C[C@H]1CC=CCC1)[C@H]1CCC[NH2+]CC1 ZINC001206583737 813363851 /nfs/dbraw/zinc/36/38/51/813363851.db2.gz VYHBNIJTUIHCAN-HOTGVXAUSA-N 2 1 250.430 3.195 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206590450 813367151 /nfs/dbraw/zinc/36/71/51/813367151.db2.gz MDHLWYWUQQBJJR-INIZCTEOSA-N 2 1 290.451 3.362 20 0 CGADMP Cc1cccc(F)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206597352 813368461 /nfs/dbraw/zinc/36/84/61/813368461.db2.gz ARUIJWALWLNNLW-HNNXBMFYSA-N 2 1 278.415 3.487 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001206606571 813372490 /nfs/dbraw/zinc/37/24/90/813372490.db2.gz PRVPVMHFRSNZGU-AWEZNQCLSA-N 2 1 280.843 3.333 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206617013 813375427 /nfs/dbraw/zinc/37/54/27/813375427.db2.gz XTNQKJDCEFYVFX-KRWDZBQOSA-N 2 1 290.451 3.426 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615099 813376590 /nfs/dbraw/zinc/37/65/90/813376590.db2.gz BZUSPUDSVBJYFD-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206760746 813425428 /nfs/dbraw/zinc/42/54/28/813425428.db2.gz LCNKYGVRAXSDCJ-NVXWUHKLSA-N 2 1 274.452 3.412 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206806166 813442207 /nfs/dbraw/zinc/44/22/07/813442207.db2.gz FWYCKBYSNDUVAB-NEPJUHHUSA-N 2 1 284.806 3.347 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206806166 813442214 /nfs/dbraw/zinc/44/22/14/813442214.db2.gz FWYCKBYSNDUVAB-NEPJUHHUSA-N 2 1 284.806 3.347 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc2ccsc2c1 ZINC001206806596 813442407 /nfs/dbraw/zinc/44/24/07/813442407.db2.gz GVHUCYFHBLFGDN-GXTWGEPZSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1noc(C)c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001207139718 813496351 /nfs/dbraw/zinc/49/63/51/813496351.db2.gz JWWGRFMMTKYUHQ-HOTGVXAUSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1noc(C)c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001207139718 813496353 /nfs/dbraw/zinc/49/63/53/813496353.db2.gz JWWGRFMMTKYUHQ-HOTGVXAUSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001207139718 813496358 /nfs/dbraw/zinc/49/63/58/813496358.db2.gz JWWGRFMMTKYUHQ-HOTGVXAUSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001207139718 813496361 /nfs/dbraw/zinc/49/63/61/813496361.db2.gz JWWGRFMMTKYUHQ-HOTGVXAUSA-N 2 1 291.439 3.130 20 0 CGADMP Cc1ncccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207150625 813498844 /nfs/dbraw/zinc/49/88/44/813498844.db2.gz BRSKSJBPQBTCAX-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1ncccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207150625 813498847 /nfs/dbraw/zinc/49/88/47/813498847.db2.gz BRSKSJBPQBTCAX-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207275189 813529772 /nfs/dbraw/zinc/52/97/72/813529772.db2.gz IIBRREHVHCMBHP-BBWFWOEESA-N 2 1 276.468 3.252 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207275189 813529778 /nfs/dbraw/zinc/52/97/78/813529778.db2.gz IIBRREHVHCMBHP-BBWFWOEESA-N 2 1 276.468 3.252 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCc1ccccc1Cl ZINC001207285229 813535383 /nfs/dbraw/zinc/53/53/83/813535383.db2.gz DNROBLQZPBGMRM-UHFFFAOYSA-N 2 1 282.859 3.402 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001207398427 813556642 /nfs/dbraw/zinc/55/66/42/813556642.db2.gz OMWYQQKUECHNPA-QGZVFWFLSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001207399716 813557104 /nfs/dbraw/zinc/55/71/04/813557104.db2.gz RPTLZBJKXYFLOA-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP c1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CCC2)cc1 ZINC001207442404 813565507 /nfs/dbraw/zinc/56/55/07/813565507.db2.gz ZXBQKLUSJHIIQK-UHFFFAOYSA-N 2 1 258.409 3.041 20 0 CGADMP CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC1CC[NH2+]CC1 ZINC001207439636 813565609 /nfs/dbraw/zinc/56/56/09/813565609.db2.gz WQBGHEQJWXFYFD-DLBZAZTESA-N 2 1 282.472 3.249 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCSc3ccccc3C2)CC1 ZINC001207487444 813574610 /nfs/dbraw/zinc/57/46/10/813574610.db2.gz JATJMDGSFWJBHR-UHFFFAOYSA-N 2 1 290.476 3.326 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001207522302 813585564 /nfs/dbraw/zinc/58/55/64/813585564.db2.gz BMGXUUZQGGMLNX-KDURUIRLSA-N 2 1 286.463 3.236 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001207522243 813586092 /nfs/dbraw/zinc/58/60/92/813586092.db2.gz CBPJYPCCQMYWEN-RTBURBONSA-N 2 1 286.463 3.379 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC001207913511 813670571 /nfs/dbraw/zinc/67/05/71/813670571.db2.gz MAZNQPORWZBSPH-OAHLLOKOSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1C ZINC001208105731 813693732 /nfs/dbraw/zinc/69/37/32/813693732.db2.gz BEJVEBROFSJQAH-CABCVRRESA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCC23CCCCC3)CC1 ZINC001208108035 813694920 /nfs/dbraw/zinc/69/49/20/813694920.db2.gz NQTQSPIPHQVPSO-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+](C)CC1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCCC1 ZINC001208183667 813735060 /nfs/dbraw/zinc/73/50/60/813735060.db2.gz DYSRJVPJMXTRMX-IYBDPMFKSA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2C)CC1 ZINC001208599376 813771243 /nfs/dbraw/zinc/77/12/43/813771243.db2.gz FXRJWLZHKKJHKK-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3ccccc3F)CC2)C1 ZINC001208607834 813774291 /nfs/dbraw/zinc/77/42/91/813774291.db2.gz NQNHJMFQSJQJGD-HNNXBMFYSA-N 2 1 290.426 3.347 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC=C(c3ccccc3)CC2)C1 ZINC001208617545 813777020 /nfs/dbraw/zinc/77/70/20/813777020.db2.gz PWIQCAMWTWCPFJ-MRXNPFEDSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001208617545 813777027 /nfs/dbraw/zinc/77/70/27/813777027.db2.gz PWIQCAMWTWCPFJ-MRXNPFEDSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001208617545 813777031 /nfs/dbraw/zinc/77/70/31/813777031.db2.gz PWIQCAMWTWCPFJ-MRXNPFEDSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C2CCC2)C1 ZINC001208617430 813777378 /nfs/dbraw/zinc/77/73/78/813777378.db2.gz NENNYDPRKNOMTB-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C2CCC2)C1 ZINC001208617430 813777383 /nfs/dbraw/zinc/77/73/83/813777383.db2.gz NENNYDPRKNOMTB-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CCC2)C1 ZINC001208617430 813777386 /nfs/dbraw/zinc/77/73/86/813777386.db2.gz NENNYDPRKNOMTB-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CCC2)C1 ZINC001208617430 813777391 /nfs/dbraw/zinc/77/73/91/813777391.db2.gz NENNYDPRKNOMTB-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934346 813904132 /nfs/dbraw/zinc/90/41/32/813904132.db2.gz ZZZDBUMRVLOJOT-QGZVFWFLSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209422851 814024773 /nfs/dbraw/zinc/02/47/73/814024773.db2.gz YUINEPFXBXHUJL-QAPCUYQASA-N 2 1 284.447 3.165 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209422851 814024775 /nfs/dbraw/zinc/02/47/75/814024775.db2.gz YUINEPFXBXHUJL-QAPCUYQASA-N 2 1 284.447 3.165 20 0 CGADMP CC1(C)OCCC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209454718 814048171 /nfs/dbraw/zinc/04/81/71/814048171.db2.gz SKPUVDJFFHDSNN-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP c1cn(-c2cc[nH+]c(C3=CC[C@H]([NH+]4CCCC4)CC3)c2)cn1 ZINC001242691367 823101576 /nfs/dbraw/zinc/10/15/76/823101576.db2.gz OUANRPLUJRTMIC-INIZCTEOSA-N 2 1 294.402 3.299 20 0 CGADMP Nc1cc[nH+]cc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001209737601 814124825 /nfs/dbraw/zinc/12/48/25/814124825.db2.gz PYGWGOWTRSWWHY-UHFFFAOYSA-N 2 1 299.393 3.088 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209730827 814125738 /nfs/dbraw/zinc/12/57/38/814125738.db2.gz KEBCCEJTAPTGTL-SFHVURJKSA-N 2 1 297.402 3.230 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209730827 814125745 /nfs/dbraw/zinc/12/57/45/814125745.db2.gz KEBCCEJTAPTGTL-SFHVURJKSA-N 2 1 297.402 3.230 20 0 CGADMP Cc1c(C[NH+]2CC(C[NH3+])C2)cccc1-c1ccccc1 ZINC001210544446 814517024 /nfs/dbraw/zinc/51/70/24/814517024.db2.gz LPFLEBSTMHECKN-UHFFFAOYSA-N 2 1 266.388 3.053 20 0 CGADMP CCCCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154296 816363409 /nfs/dbraw/zinc/36/34/09/816363409.db2.gz JRFWPQKPYQUUBS-INIZCTEOSA-N 2 1 252.446 3.422 20 0 CGADMP c1cc2cccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c2o1 ZINC001222252485 816387616 /nfs/dbraw/zinc/38/76/16/816387616.db2.gz FSJCUHORTZTWMX-QGZVFWFLSA-N 2 1 270.376 3.151 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c2o1 ZINC001222252485 816387623 /nfs/dbraw/zinc/38/76/23/816387623.db2.gz FSJCUHORTZTWMX-QGZVFWFLSA-N 2 1 270.376 3.151 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c21 ZINC001222265826 816391680 /nfs/dbraw/zinc/39/16/80/816391680.db2.gz ZXAAYWNFMRGCBL-LJQANCHMSA-N 2 1 297.446 3.442 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@]12CCC[NH2+]CC2)c1ccccc1 ZINC001222308360 816403751 /nfs/dbraw/zinc/40/37/51/816403751.db2.gz IYFNRPGHNZSSFF-WMZOPIPTSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310441 816404997 /nfs/dbraw/zinc/40/49/97/816404997.db2.gz VOJIPRWCFQSLOT-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Oc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222315923 816407406 /nfs/dbraw/zinc/40/74/06/816407406.db2.gz QZTIRLSHXOAXJD-MRXNPFEDSA-N 2 1 294.826 3.154 20 0 CGADMP Oc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222315923 816407410 /nfs/dbraw/zinc/40/74/10/816407410.db2.gz QZTIRLSHXOAXJD-MRXNPFEDSA-N 2 1 294.826 3.154 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222380255 816424479 /nfs/dbraw/zinc/42/44/79/816424479.db2.gz XKVJMQWUNQRINR-UHFFFAOYSA-N 2 1 292.382 3.381 20 0 CGADMP Cn1ccc2c1cccc2C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390117 816428628 /nfs/dbraw/zinc/42/86/28/816428628.db2.gz LBXAWRGNBWPVHK-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390117 816428631 /nfs/dbraw/zinc/42/86/31/816428631.db2.gz LBXAWRGNBWPVHK-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP Cc1csc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222601934 816476754 /nfs/dbraw/zinc/47/67/54/816476754.db2.gz DLTQKFLQTHJDEE-QGZVFWFLSA-N 2 1 298.455 3.246 20 0 CGADMP c1ccc(C2(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)CCCC2)cc1 ZINC001222623420 816480808 /nfs/dbraw/zinc/48/08/08/816480808.db2.gz IOQJBWHUQJVIFT-HDICACEKSA-N 2 1 298.474 3.430 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624259 816482445 /nfs/dbraw/zinc/48/24/45/816482445.db2.gz VRSLVHBIACKCOG-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP C[NH+](C)CCCCO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224992347 816925361 /nfs/dbraw/zinc/92/53/61/816925361.db2.gz MANFDYPIURYNDE-SFHVURJKSA-N 2 1 290.451 3.009 20 0 CGADMP C(CC1CCCC1)C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786162 817464971 /nfs/dbraw/zinc/46/49/71/817464971.db2.gz WKLDRJNWJBDCJY-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001231781035 818171870 /nfs/dbraw/zinc/17/18/70/818171870.db2.gz BAOAMBSLPARRHM-RTBURBONSA-N 2 1 286.463 3.413 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001231781035 818171875 /nfs/dbraw/zinc/17/18/75/818171875.db2.gz BAOAMBSLPARRHM-RTBURBONSA-N 2 1 286.463 3.413 20 0 CGADMP FC1(F)CC[C@@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232012878 818232313 /nfs/dbraw/zinc/23/23/13/818232313.db2.gz VPUDPDXVPOFYDQ-MFKMUULPSA-N 2 1 277.318 3.040 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001232012868 818232925 /nfs/dbraw/zinc/23/29/25/818232925.db2.gz VFHVUFDJJLWDKP-QWHCGFSZSA-N 2 1 255.365 3.185 20 0 CGADMP Cc1cc(O)cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001232879694 818462748 /nfs/dbraw/zinc/46/27/48/818462748.db2.gz CYZZBYIELDFSGJ-UHFFFAOYSA-N 2 1 290.451 3.253 20 0 CGADMP CC(C)N(Cc1ccc(N)cc1Cl)C1CC[NH+](C)CC1 ZINC001233377776 818603158 /nfs/dbraw/zinc/60/31/58/818603158.db2.gz SFTAZKTUSSAEHT-UHFFFAOYSA-N 2 1 295.858 3.227 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001234991987 818970757 /nfs/dbraw/zinc/97/07/57/818970757.db2.gz ICMGSSYYHVHHBZ-BBWFWOEESA-N 2 1 262.441 3.054 20 0 CGADMP CCCOc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234993443 818971299 /nfs/dbraw/zinc/97/12/99/818971299.db2.gz PRASUTUERLCURT-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234993443 818971304 /nfs/dbraw/zinc/97/13/04/818971304.db2.gz PRASUTUERLCURT-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP C[C@H](C[N@@H+]1CC2CC1(C[NH3+])C2)c1cccc2ccccc21 ZINC001235008281 818978472 /nfs/dbraw/zinc/97/84/72/818978472.db2.gz QOBRPPINQIYLTM-TZGCNFNXSA-N 2 1 280.415 3.366 20 0 CGADMP C[C@H](C[N@H+]1CC2CC1(C[NH3+])C2)c1cccc2ccccc21 ZINC001235008281 818978479 /nfs/dbraw/zinc/97/84/79/818978479.db2.gz QOBRPPINQIYLTM-TZGCNFNXSA-N 2 1 280.415 3.366 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016996 818980070 /nfs/dbraw/zinc/98/00/70/818980070.db2.gz KRWIGZLMHITQKV-QFBILLFUSA-N 2 1 280.415 3.332 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016996 818980073 /nfs/dbraw/zinc/98/00/73/818980073.db2.gz KRWIGZLMHITQKV-QFBILLFUSA-N 2 1 280.415 3.332 20 0 CGADMP c1ccc(Cc2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235026131 818982619 /nfs/dbraw/zinc/98/26/19/818982619.db2.gz KKHOBFQKXXJPAY-UHFFFAOYSA-N 2 1 292.426 3.073 20 0 CGADMP c1ccc(Cc2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235026131 818982622 /nfs/dbraw/zinc/98/26/22/818982622.db2.gz KKHOBFQKXXJPAY-UHFFFAOYSA-N 2 1 292.426 3.073 20 0 CGADMP Fc1cccc2c(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cccc12 ZINC001235033068 818984562 /nfs/dbraw/zinc/98/45/62/818984562.db2.gz OIDMSSWFESEJIS-SFHVURJKSA-N 2 1 284.378 3.164 20 0 CGADMP c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc2c1CCC2 ZINC001235039796 818987613 /nfs/dbraw/zinc/98/76/13/818987613.db2.gz IEYAWZHQPDYWTA-LJQANCHMSA-N 2 1 284.447 3.283 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1C ZINC001235042574 818988023 /nfs/dbraw/zinc/98/80/23/818988023.db2.gz XQZSDYBAPFYKFX-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235041862 818988804 /nfs/dbraw/zinc/98/88/04/818988804.db2.gz UHPJMLJLPIIOMP-KRWDZBQOSA-N 2 1 258.409 3.103 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@@H+]1CCC12CC[NH2+]CC2 ZINC001235101414 819001733 /nfs/dbraw/zinc/00/17/33/819001733.db2.gz ACSJCKSBIZHCNO-UHFFFAOYSA-N 2 1 270.420 3.282 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235101414 819001736 /nfs/dbraw/zinc/00/17/36/819001736.db2.gz ACSJCKSBIZHCNO-UHFFFAOYSA-N 2 1 270.420 3.282 20 0 CGADMP Fc1cc(F)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235155654 819017578 /nfs/dbraw/zinc/01/75/78/819017578.db2.gz OZDSTZCIIVVDOA-QGZVFWFLSA-N 2 1 294.389 3.319 20 0 CGADMP CCCCCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151941 819018367 /nfs/dbraw/zinc/01/83/67/819018367.db2.gz KCKXUZLZSQRXEZ-MRXNPFEDSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235156167 819018777 /nfs/dbraw/zinc/01/87/77/819018777.db2.gz KDMNHRHSAGNZNS-MAUKXSAKSA-N 2 1 266.388 3.071 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235156167 819018782 /nfs/dbraw/zinc/01/87/82/819018782.db2.gz KDMNHRHSAGNZNS-MAUKXSAKSA-N 2 1 266.388 3.071 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001235157843 819019529 /nfs/dbraw/zinc/01/95/29/819019529.db2.gz SDXLHAPWOXQSGP-KRWDZBQOSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1)c1cccc2ccccc21 ZINC001235164780 819020118 /nfs/dbraw/zinc/02/01/18/819020118.db2.gz DMLCAJPGGHIHBT-SIXWZSSISA-N 2 1 280.415 3.366 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1)c1cccc2ccccc21 ZINC001235164780 819020119 /nfs/dbraw/zinc/02/01/19/819020119.db2.gz DMLCAJPGGHIHBT-SIXWZSSISA-N 2 1 280.415 3.366 20 0 CGADMP c1cc2ccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)cc2[nH]1 ZINC001235170280 819022844 /nfs/dbraw/zinc/02/28/44/819022844.db2.gz DLMLGTMZPZVPBH-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)cc2[nH]1 ZINC001235170280 819022851 /nfs/dbraw/zinc/02/28/51/819022851.db2.gz DLMLGTMZPZVPBH-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235194505 819031346 /nfs/dbraw/zinc/03/13/46/819031346.db2.gz WZJHFOKFFNWRTR-QZTJIDSGSA-N 2 1 272.436 3.071 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001235224342 819039793 /nfs/dbraw/zinc/03/97/93/819039793.db2.gz KDADFBVCFJZSKL-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225920 819039810 /nfs/dbraw/zinc/03/98/10/819039810.db2.gz WGWKZSVLGRQEHK-RDBSUJKOSA-N 2 1 292.389 3.287 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235254058 819051881 /nfs/dbraw/zinc/05/18/81/819051881.db2.gz AQBDDZUFJYLKHZ-YOEHRIQHSA-N 2 1 292.382 3.380 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235254058 819051886 /nfs/dbraw/zinc/05/18/86/819051886.db2.gz AQBDDZUFJYLKHZ-YOEHRIQHSA-N 2 1 292.382 3.380 20 0 CGADMP Clc1ccc(CCC[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001235262376 819055306 /nfs/dbraw/zinc/05/53/06/819055306.db2.gz QTTQTHMNHVJYCC-DOMZBBRYSA-N 2 1 299.245 3.220 20 0 CGADMP Clc1ccc(CCC[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001235262376 819055312 /nfs/dbraw/zinc/05/53/12/819055312.db2.gz QTTQTHMNHVJYCC-DOMZBBRYSA-N 2 1 299.245 3.220 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c(C)c1C ZINC001235264495 819056840 /nfs/dbraw/zinc/05/68/40/819056840.db2.gz YJLFETYRYDTQCM-AEFFLSMTSA-N 2 1 272.436 3.022 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c(C)c1C ZINC001235264495 819056849 /nfs/dbraw/zinc/05/68/49/819056849.db2.gz YJLFETYRYDTQCM-AEFFLSMTSA-N 2 1 272.436 3.022 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235263820 819057713 /nfs/dbraw/zinc/05/77/13/819057713.db2.gz VIGXBDQYIBHUGY-CXAGYDPISA-N 2 1 297.446 3.259 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235263820 819057718 /nfs/dbraw/zinc/05/77/18/819057718.db2.gz VIGXBDQYIBHUGY-CXAGYDPISA-N 2 1 297.446 3.259 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c1Cl ZINC001235342147 819072705 /nfs/dbraw/zinc/07/27/05/819072705.db2.gz TXMMMFMISMPNPR-NSHDSACASA-N 2 1 299.245 3.343 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F)CC(C)(C)C ZINC001235402346 819086462 /nfs/dbraw/zinc/08/64/62/819086462.db2.gz IYGIUFZEOUNFOZ-VYDXJSESSA-N 2 1 284.463 3.472 20 0 CGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406475 819087214 /nfs/dbraw/zinc/08/72/14/819087214.db2.gz PUWIRBAGKNJQDL-OALUTQOASA-N 2 1 298.405 3.315 20 0 CGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](CCCC1CCCCC1)C2 ZINC001235405461 819087792 /nfs/dbraw/zinc/08/77/92/819087792.db2.gz PAEFYELEXMDTCH-DLBZAZTESA-N 2 1 282.447 3.370 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)s1 ZINC001235406230 819087898 /nfs/dbraw/zinc/08/78/98/819087898.db2.gz QJQTWVUQGSBPBN-JKSUJKDBSA-N 2 1 296.455 3.224 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)s1 ZINC001235406230 819087900 /nfs/dbraw/zinc/08/79/00/819087900.db2.gz QJQTWVUQGSBPBN-JKSUJKDBSA-N 2 1 296.455 3.224 20 0 CGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407690 819088602 /nfs/dbraw/zinc/08/86/02/819088602.db2.gz SWRBFEGFCRDPPA-OALUTQOASA-N 2 1 298.405 3.363 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235424808 819092847 /nfs/dbraw/zinc/09/28/47/819092847.db2.gz JXOXMZNOFVOUFL-CABCVRRESA-N 2 1 278.465 3.268 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426628 819093381 /nfs/dbraw/zinc/09/33/81/819093381.db2.gz OSPAVKCZHORIJE-JGPFYOFESA-N 2 1 250.430 3.054 20 0 CGADMP C[N@H+](Cc1cccc(OC(C)(C)C)c1)CC1CC[NH2+]CC1 ZINC001235432095 819095752 /nfs/dbraw/zinc/09/57/52/819095752.db2.gz HXLFBIXABIXVGM-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CCSc1ccccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235432634 819095850 /nfs/dbraw/zinc/09/58/50/819095850.db2.gz OPMAPBRYIWGHPO-UHFFFAOYSA-N 2 1 278.465 3.230 20 0 CGADMP CCc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)ccc1Cl ZINC001235432613 819096527 /nfs/dbraw/zinc/09/65/27/819096527.db2.gz NPCOGLRCTUSNJD-UHFFFAOYSA-N 2 1 280.843 3.334 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc(SC(F)(F)F)c1 ZINC001235435515 819097988 /nfs/dbraw/zinc/09/79/88/819097988.db2.gz MXGWHTXMGDDWOD-UHFFFAOYSA-N 2 1 278.343 3.079 20 0 CGADMP C[N@H+](Cc1cc(F)c(F)cc1Cl)CC1CC[NH2+]CC1 ZINC001235434053 819098261 /nfs/dbraw/zinc/09/82/61/819098261.db2.gz ZMZOBMDNYUBBDA-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235434000 819098319 /nfs/dbraw/zinc/09/83/19/819098319.db2.gz WDWCDAFCPJBSGH-UHFFFAOYSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235439335 819099361 /nfs/dbraw/zinc/09/93/61/819099361.db2.gz BWISMUASTGHAQI-RDJZCZTQSA-N 2 1 288.435 3.247 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235439335 819099364 /nfs/dbraw/zinc/09/93/64/819099364.db2.gz BWISMUASTGHAQI-RDJZCZTQSA-N 2 1 288.435 3.247 20 0 CGADMP CCc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1Cl ZINC001235465392 819106516 /nfs/dbraw/zinc/10/65/16/819106516.db2.gz IXBPOVWARUSSEL-UHFFFAOYSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@H]1CCCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235660973 819132700 /nfs/dbraw/zinc/13/27/00/819132700.db2.gz JJLWXXLBIYOCEJ-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](CCCc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235670798 819133497 /nfs/dbraw/zinc/13/34/97/819133497.db2.gz ZTOVJISXCIUMNT-UHFFFAOYSA-N 2 1 286.463 3.331 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@H](C[NH3+])C2)C1(C)C ZINC001235673581 819134194 /nfs/dbraw/zinc/13/41/94/819134194.db2.gz OVNGKRSZORJFKC-LSDHHAIUSA-N 2 1 250.430 3.040 20 0 CGADMP c1csc([C@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001235680687 819139798 /nfs/dbraw/zinc/13/97/98/819139798.db2.gz WBVQWNNPTVKPIF-ZIAGYGMSSA-N 2 1 264.438 3.417 20 0 CGADMP COc1c(Cl)cccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235716907 819150341 /nfs/dbraw/zinc/15/03/41/819150341.db2.gz MGCLQMIGXLSHCR-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235716460 819150487 /nfs/dbraw/zinc/15/04/87/819150487.db2.gz CWQRQOSNWRAUQW-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001235715426 819150747 /nfs/dbraw/zinc/15/07/47/819150747.db2.gz SFAHKBNKGGLVTI-IBGZPJMESA-N 2 1 280.415 3.210 20 0 CGADMP CC[N@H+](Cc1cc2ccccc2cc1OC)C1CC[NH2+]CC1 ZINC001235765253 819163666 /nfs/dbraw/zinc/16/36/66/819163666.db2.gz UNUVKDDWERGLNZ-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP CC[N@@H+](Cc1cc2ccccc2cc1OC)C1CC[NH2+]CC1 ZINC001235765253 819163672 /nfs/dbraw/zinc/16/36/72/819163672.db2.gz UNUVKDDWERGLNZ-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC001235813505 819173730 /nfs/dbraw/zinc/17/37/30/819173730.db2.gz XFOKEJHXBYBFLE-GOSISDBHSA-N 2 1 298.455 3.435 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)Cc1cccc(C[NH3+])c1 ZINC001235838757 819180933 /nfs/dbraw/zinc/18/09/33/819180933.db2.gz BNGQOHITCHEJMD-UHFFFAOYSA-N 2 1 288.822 3.473 20 0 CGADMP C[N@@H+](Cc1cc(Cl)c(F)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001235843521 819185115 /nfs/dbraw/zinc/18/51/15/819185115.db2.gz XXLBFVDFTIJOAB-SECBINFHSA-N 2 1 291.197 3.174 20 0 CGADMP C[N@H+](Cc1cc(Cl)c(F)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001235843521 819185117 /nfs/dbraw/zinc/18/51/17/819185117.db2.gz XXLBFVDFTIJOAB-SECBINFHSA-N 2 1 291.197 3.174 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001235868120 819190313 /nfs/dbraw/zinc/19/03/13/819190313.db2.gz UHMWOQBLZBYDPG-LXTVHRRPSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001235868120 819190318 /nfs/dbraw/zinc/19/03/18/819190318.db2.gz UHMWOQBLZBYDPG-LXTVHRRPSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001235868120 819190322 /nfs/dbraw/zinc/19/03/22/819190322.db2.gz UHMWOQBLZBYDPG-LXTVHRRPSA-N 2 1 286.410 3.132 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@H]2CC[NH3+])cc1C(C)C ZINC001235925308 819224400 /nfs/dbraw/zinc/22/44/00/819224400.db2.gz GZMSSVIZJVESDM-INIZCTEOSA-N 2 1 290.451 3.440 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925680 819224862 /nfs/dbraw/zinc/22/48/62/819224862.db2.gz OVPSGGCAOYHXME-ZDUSSCGKSA-N 2 1 284.856 3.375 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925680 819224867 /nfs/dbraw/zinc/22/48/67/819224867.db2.gz OVPSGGCAOYHXME-ZDUSSCGKSA-N 2 1 284.856 3.375 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001235935229 819230438 /nfs/dbraw/zinc/23/04/38/819230438.db2.gz RGJAKDGJCBOFFC-KRWDZBQOSA-N 2 1 284.378 3.274 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235937780 819232389 /nfs/dbraw/zinc/23/23/89/819232389.db2.gz JERWBVHWMKPFHB-SJORKVTESA-N 2 1 280.415 3.190 20 0 CGADMP Clc1cccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235949705 819240037 /nfs/dbraw/zinc/24/00/37/819240037.db2.gz GABVPEPSJYYLIF-ZFWWWQNUSA-N 2 1 278.827 3.129 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(F)CC[NH2+]CC1 ZINC001235949544 819240541 /nfs/dbraw/zinc/24/05/41/819240541.db2.gz OMINNSUZNBFVDV-GFCCVEGCSA-N 2 1 284.806 3.425 20 0 CGADMP CC/C=C\CCCCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235951374 819241122 /nfs/dbraw/zinc/24/11/22/819241122.db2.gz RPKGWROZJUNNQV-AWFCHZOYSA-N 2 1 252.446 3.444 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC1(C)CC[NH2+]CC1 ZINC001235959253 819247207 /nfs/dbraw/zinc/24/72/07/819247207.db2.gz FAFBCMSDBGYBMS-MRXNPFEDSA-N 2 1 260.425 3.459 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc3sccc31)C2 ZINC001235960716 819248818 /nfs/dbraw/zinc/24/88/18/819248818.db2.gz XPIDCKGJPZGIRU-YWVIFJGQSA-N 2 1 272.417 3.070 20 0 CGADMP CC[N@H+](Cc1ccc(F)cc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235962916 819250768 /nfs/dbraw/zinc/25/07/68/819250768.db2.gz QXTZXWQFSRKCIO-UHFFFAOYSA-N 2 1 290.426 3.427 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235964023 819252474 /nfs/dbraw/zinc/25/24/74/819252474.db2.gz XGCDRAQTKVGIGJ-UHFFFAOYSA-N 2 1 284.378 3.451 20 0 CGADMP Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)o1 ZINC001235974397 819254700 /nfs/dbraw/zinc/25/47/00/819254700.db2.gz LBJGPCZGGJSIAQ-UHFFFAOYSA-N 2 1 296.414 3.225 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236047076 819285469 /nfs/dbraw/zinc/28/54/69/819285469.db2.gz KRGOIBFOMYZSEG-AAEUAGOBSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236047076 819285473 /nfs/dbraw/zinc/28/54/73/819285473.db2.gz KRGOIBFOMYZSEG-AAEUAGOBSA-N 2 1 274.433 3.379 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)c2cccc3ccccc32)C1 ZINC001236065661 819296965 /nfs/dbraw/zinc/29/69/65/819296965.db2.gz CFSHXCCQRBMYES-JKSUJKDBSA-N 2 1 282.431 3.485 20 0 CGADMP C[C@H]1C[N@H+](Cc2cc3ccccc3s2)CCC[NH2+]1 ZINC001236095613 819313843 /nfs/dbraw/zinc/31/38/43/819313843.db2.gz XMLDFONICPSCOU-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCC[NH2+]1 ZINC001236095613 819313849 /nfs/dbraw/zinc/31/38/49/819313849.db2.gz XMLDFONICPSCOU-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+](C)CCCC[NH3+])c1 ZINC001236141036 819340592 /nfs/dbraw/zinc/34/05/92/819340592.db2.gz DFKCUQZOELVPBQ-UHFFFAOYSA-N 2 1 254.805 3.128 20 0 CGADMP CCC[N@@H+](Cc1ccc2c(c1)NCCC2)C1CC[NH2+]CC1 ZINC001236184142 819359955 /nfs/dbraw/zinc/35/99/55/819359955.db2.gz FUBJTTDIJJBXOR-UHFFFAOYSA-N 2 1 287.451 3.009 20 0 CGADMP C[N@H+](Cc1ccccc1-c1cccnc1)[C@]1(C)CCC[NH2+]C1 ZINC001236205337 819366971 /nfs/dbraw/zinc/36/69/71/819366971.db2.gz DMECTTHCXITRNJ-LJQANCHMSA-N 2 1 295.430 3.323 20 0 CGADMP C[N@@H+](Cc1ccccc1-c1cccnc1)[C@]1(C)CCC[NH2+]C1 ZINC001236205337 819366975 /nfs/dbraw/zinc/36/69/75/819366975.db2.gz DMECTTHCXITRNJ-LJQANCHMSA-N 2 1 295.430 3.323 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])c[nH]c2c1 ZINC001236210490 819371451 /nfs/dbraw/zinc/37/14/51/819371451.db2.gz CWSVIIAKVIBUGP-WBVHZDCISA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])c[nH]c2c1 ZINC001236210490 819371456 /nfs/dbraw/zinc/37/14/56/819371456.db2.gz CWSVIIAKVIBUGP-WBVHZDCISA-N 2 1 271.408 3.178 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213653 819375345 /nfs/dbraw/zinc/37/53/45/819375345.db2.gz OJCCMGOOJSFMFH-MOPGFXCFSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213653 819375352 /nfs/dbraw/zinc/37/53/52/819375352.db2.gz OJCCMGOOJSFMFH-MOPGFXCFSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@H+](Cc1cc(O)cc2ccccc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214621 819376333 /nfs/dbraw/zinc/37/63/33/819376333.db2.gz GOHIMLIKBBPQDO-ZWKOTPCHSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@@H+](Cc1cc(O)cc2ccccc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214621 819376341 /nfs/dbraw/zinc/37/63/41/819376341.db2.gz GOHIMLIKBBPQDO-ZWKOTPCHSA-N 2 1 284.403 3.247 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228492 819390890 /nfs/dbraw/zinc/39/08/90/819390890.db2.gz VLXNQRVJJWRQBS-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP CCCCOc1cccc(C[NH+]2CCC[NH2+]CCC2)c1 ZINC001236241467 819401610 /nfs/dbraw/zinc/40/16/10/819401610.db2.gz ZHUYWFHGAIINJK-UHFFFAOYSA-N 2 1 276.424 3.051 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268218 819410315 /nfs/dbraw/zinc/41/03/15/819410315.db2.gz BOSWHDDIGBQXIN-OAHLLOKOSA-N 2 1 278.465 3.122 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268218 819410321 /nfs/dbraw/zinc/41/03/21/819410321.db2.gz BOSWHDDIGBQXIN-OAHLLOKOSA-N 2 1 278.465 3.122 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236322352 819424761 /nfs/dbraw/zinc/42/47/61/819424761.db2.gz YWROMKJIXBDQQI-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP CC[N@@H+](Cc1cc(C)ccc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236407065 819454698 /nfs/dbraw/zinc/45/46/98/819454698.db2.gz BFYKCZNJIRVGIW-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+](Cc1cc(C)ccc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236407065 819454702 /nfs/dbraw/zinc/45/47/02/819454702.db2.gz BFYKCZNJIRVGIW-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@@H+](Cc1c(C)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409461 819455427 /nfs/dbraw/zinc/45/54/27/819455427.db2.gz UYQUUBFZIXRIHC-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1c(C)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409461 819455428 /nfs/dbraw/zinc/45/54/28/819455428.db2.gz UYQUUBFZIXRIHC-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](C[C@@H](C)CCC=C(C)C)C[C@H]1CC[NH2+]C1 ZINC001236408290 819455558 /nfs/dbraw/zinc/45/55/58/819455558.db2.gz MTNPFRHUGONPNL-HOTGVXAUSA-N 2 1 252.446 3.300 20 0 CGADMP C[NH+](C)Cc1cccc(-c2ccc3c(c2)C[N@H+](C)CC3)c1 ZINC001236425164 819471656 /nfs/dbraw/zinc/47/16/56/819471656.db2.gz GASCHFRZJGVJQL-UHFFFAOYSA-N 2 1 280.415 3.403 20 0 CGADMP Nc1cc[nH+]c(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001236470456 819491058 /nfs/dbraw/zinc/49/10/58/819491058.db2.gz XWAOBXCILZYNJI-MSOLQXFVSA-N 2 1 291.398 3.484 20 0 CGADMP CCOc1cccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236477771 819495171 /nfs/dbraw/zinc/49/51/71/819495171.db2.gz LXTPAHLDTUJYJT-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP CCOc1cccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236477771 819495174 /nfs/dbraw/zinc/49/51/74/819495174.db2.gz LXTPAHLDTUJYJT-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc3c2CCN3)CC2CC2)CC1 ZINC001236550376 819534464 /nfs/dbraw/zinc/53/44/64/819534464.db2.gz GQZPNGRHRFOQIJ-QAQDUYKDSA-N 2 1 299.462 3.137 20 0 CGADMP Cc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236552591 819535049 /nfs/dbraw/zinc/53/50/49/819535049.db2.gz SIALYLUPDDEHES-IYARVYRRSA-N 2 1 272.436 3.477 20 0 CGADMP CCC[C@@H](C)C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551713 819535120 /nfs/dbraw/zinc/53/51/20/819535120.db2.gz LDBKGNHUCXZYKE-FVQBIDKESA-N 2 1 252.446 3.405 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCCc2ccccc2)C1 ZINC001236603690 819551099 /nfs/dbraw/zinc/55/10/99/819551099.db2.gz CJTUKHALCHMHPJ-QGZVFWFLSA-N 2 1 260.425 3.070 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cc2)o1 ZINC001236603625 819551196 /nfs/dbraw/zinc/55/11/96/819551196.db2.gz BDEQCTRKZQWEKV-GOSISDBHSA-N 2 1 284.403 3.426 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC001236615088 819553620 /nfs/dbraw/zinc/55/36/20/819553620.db2.gz DXRAIJHDDXKFHJ-HNNXBMFYSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC001236615088 819553625 /nfs/dbraw/zinc/55/36/25/819553625.db2.gz DXRAIJHDDXKFHJ-HNNXBMFYSA-N 2 1 266.816 3.128 20 0 CGADMP C[N@H+](Cc1cccc2sccc21)C1CC[NH+](C)CC1 ZINC001236680936 819569339 /nfs/dbraw/zinc/56/93/39/819569339.db2.gz CGFAFUADLYJFLY-UHFFFAOYSA-N 2 1 274.433 3.427 20 0 CGADMP C[N@@H+](Cc1cccc2sccc21)C1CC[NH+](C)CC1 ZINC001236680936 819569343 /nfs/dbraw/zinc/56/93/43/819569343.db2.gz CGFAFUADLYJFLY-UHFFFAOYSA-N 2 1 274.433 3.427 20 0 CGADMP Cc1c(F)ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1Cl ZINC001236720282 819581767 /nfs/dbraw/zinc/58/17/67/819581767.db2.gz ZROIGEOYPGCERU-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC001236735522 819585576 /nfs/dbraw/zinc/58/55/76/819585576.db2.gz LDYIACITHXSCLV-UHFFFAOYSA-N 2 1 284.403 3.491 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC001236735522 819585580 /nfs/dbraw/zinc/58/55/80/819585580.db2.gz LDYIACITHXSCLV-UHFFFAOYSA-N 2 1 284.403 3.491 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236821677 819607512 /nfs/dbraw/zinc/60/75/12/819607512.db2.gz WBWXEXAWWXPBJU-LTXMXCJLSA-N 2 1 250.430 3.182 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC001236827296 819609818 /nfs/dbraw/zinc/60/98/18/819609818.db2.gz FIPKIVFXLFYXMN-COPLHBTASA-N 2 1 299.245 3.471 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC001236827296 819609820 /nfs/dbraw/zinc/60/98/20/819609820.db2.gz FIPKIVFXLFYXMN-COPLHBTASA-N 2 1 299.245 3.471 20 0 CGADMP CCC[N@@H+](C[C@@H](C)c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236830046 819612132 /nfs/dbraw/zinc/61/21/32/819612132.db2.gz MOUPCDJHLJYMLK-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)Cc1sc2ccccc2c1C ZINC001236868263 819626071 /nfs/dbraw/zinc/62/60/71/819626071.db2.gz JOEWDHMNIKNEDL-LBPRGKRZSA-N 2 1 262.422 3.379 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1sc2ccccc2c1C ZINC001236868263 819626074 /nfs/dbraw/zinc/62/60/74/819626074.db2.gz JOEWDHMNIKNEDL-LBPRGKRZSA-N 2 1 262.422 3.379 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@](C)(C[NH3+])C2)CC1 ZINC001237056779 819653581 /nfs/dbraw/zinc/65/35/81/819653581.db2.gz JTYGXXAGNDMWCS-HRCADAONSA-N 2 1 250.430 3.040 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055725 819653807 /nfs/dbraw/zinc/65/38/07/819653807.db2.gz FJYKZHOBGNYGGO-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055725 819653815 /nfs/dbraw/zinc/65/38/15/819653815.db2.gz FJYKZHOBGNYGGO-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1OC(C)C ZINC001237083893 819664386 /nfs/dbraw/zinc/66/43/86/819664386.db2.gz ZVLDTPJENOHHGY-SFHVURJKSA-N 2 1 290.451 3.343 20 0 CGADMP c1ccc(CC[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237300997 819721066 /nfs/dbraw/zinc/72/10/66/819721066.db2.gz SBTCMXUXMXBXKI-UHFFFAOYSA-N 2 1 292.426 3.324 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237404082 819744792 /nfs/dbraw/zinc/74/47/92/819744792.db2.gz MXWNHPJWUWRTCR-RTBURBONSA-N 2 1 286.463 3.459 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237413947 819747542 /nfs/dbraw/zinc/74/75/42/819747542.db2.gz JYEBCOJXCIGBCM-AEFFLSMTSA-N 2 1 295.430 3.051 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2occc21 ZINC001237418343 819748318 /nfs/dbraw/zinc/74/83/18/819748318.db2.gz YDZYPNNMZXPCSN-BLLLJJGKSA-N 2 1 288.366 3.146 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2occc21 ZINC001237418343 819748325 /nfs/dbraw/zinc/74/83/25/819748325.db2.gz YDZYPNNMZXPCSN-BLLLJJGKSA-N 2 1 288.366 3.146 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237418572 819749309 /nfs/dbraw/zinc/74/93/09/819749309.db2.gz YUXUVPGKYGRABX-HOCLYGCPSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237418572 819749313 /nfs/dbraw/zinc/74/93/13/819749313.db2.gz YUXUVPGKYGRABX-HOCLYGCPSA-N 2 1 278.827 3.222 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H]3C)cc21 ZINC001237881827 819868725 /nfs/dbraw/zinc/86/87/25/819868725.db2.gz VUORYOWNJVJFTF-CYBMUJFWSA-N 2 1 256.393 3.282 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cnc1C1CC1 ZINC001238617311 820063567 /nfs/dbraw/zinc/06/35/67/820063567.db2.gz KEXPMWVOOMOIMA-UHFFFAOYSA-N 2 1 287.451 3.041 20 0 CGADMP CSc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001239498139 820348182 /nfs/dbraw/zinc/34/81/82/820348182.db2.gz WEIZTOOHTNHXSG-UHFFFAOYSA-N 2 1 295.411 3.410 20 0 CGADMP C[NH+](C)Cc1ccccc1-c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001239682497 820519154 /nfs/dbraw/zinc/51/91/54/820519154.db2.gz LSRJNUZFDIENSI-UHFFFAOYSA-N 2 1 295.430 3.404 20 0 CGADMP Cc1c(N)cc[nH+]c1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240383379 821007494 /nfs/dbraw/zinc/00/74/94/821007494.db2.gz BNAKCSUUEJERHC-UHFFFAOYSA-N 2 1 279.387 3.262 20 0 CGADMP Cc1c(N)cc[nH+]c1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240383379 821007503 /nfs/dbraw/zinc/00/75/03/821007503.db2.gz BNAKCSUUEJERHC-UHFFFAOYSA-N 2 1 279.387 3.262 20 0 CGADMP CCOC(=[NH2+])c1cccc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001240456807 821069024 /nfs/dbraw/zinc/06/90/24/821069024.db2.gz JGJOEOZAIMQGMX-UHFFFAOYSA-N 2 1 280.371 3.361 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(c1)[C@@H]([NH3+])CC2 ZINC001241252277 821673913 /nfs/dbraw/zinc/67/39/13/821673913.db2.gz RDZOQOKFBGGAGK-INIZCTEOSA-N 2 1 267.376 3.069 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001242021481 822284886 /nfs/dbraw/zinc/28/48/86/822284886.db2.gz CNPBRCQCOPWMPC-OLMNPRSZSA-N 2 1 297.446 3.364 20 0 CGADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC001330187030 935274738 /nfs/dbraw/zinc/27/47/38/935274738.db2.gz WHNFJMVWWOZFET-KRWDZBQOSA-N 2 1 292.442 3.326 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001341154714 936429557 /nfs/dbraw/zinc/42/95/57/936429557.db2.gz JQVSXZIVQHTZKZ-AWEZNQCLSA-N 2 1 292.386 3.271 20 0 CGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])CCC2 ZINC001345470553 936811699 /nfs/dbraw/zinc/81/16/99/936811699.db2.gz TXSVFBIPLBCATD-BZUAXINKSA-N 2 1 290.455 3.091 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCc1ccc(F)cc1F ZINC001347371851 936881520 /nfs/dbraw/zinc/88/15/20/936881520.db2.gz HXKIUNLXJLJKFT-CYBMUJFWSA-N 2 1 284.394 3.217 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCc1ccc(F)cc1F ZINC001347371851 936881523 /nfs/dbraw/zinc/88/15/23/936881523.db2.gz HXKIUNLXJLJKFT-CYBMUJFWSA-N 2 1 284.394 3.217 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001348852401 936936597 /nfs/dbraw/zinc/93/65/97/936936597.db2.gz LNXXWFCUMAVPRU-KGLIPLIRSA-N 2 1 268.351 3.374 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001349911892 936968407 /nfs/dbraw/zinc/96/84/07/936968407.db2.gz SCJKGLKRQDNKMB-HIFRSBDPSA-N 2 1 288.439 3.052 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001350359751 936989286 /nfs/dbraw/zinc/98/92/86/936989286.db2.gz YSFVVEFOVSHHMW-CYBMUJFWSA-N 2 1 276.415 3.474 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001352084983 937035572 /nfs/dbraw/zinc/03/55/72/937035572.db2.gz SQQRRWWLUXGHMS-CHWSQXEVSA-N 2 1 280.378 3.429 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(C)o2)C1 ZINC001116927677 927963319 /nfs/dbraw/zinc/96/33/19/927963319.db2.gz ANQKEHMHLDHXPO-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(C)o2)C1 ZINC001116927677 927963330 /nfs/dbraw/zinc/96/33/30/927963330.db2.gz ANQKEHMHLDHXPO-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)CC(C)(C)C ZINC001459949123 928727591 /nfs/dbraw/zinc/72/75/91/928727591.db2.gz DXRYTIKYDBIMPJ-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459925743 937506666 /nfs/dbraw/zinc/50/66/66/937506666.db2.gz SRXBHPAGBDNSQW-TWMKSMIVSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccccc1C1([NH2+]CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001460331090 937526954 /nfs/dbraw/zinc/52/69/54/937526954.db2.gz KQAFQMDSUDTHIX-MRXNPFEDSA-N 2 1 272.436 3.448 20 0 CGADMP Cc1cccc([C@H](C)[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001460559571 937534518 /nfs/dbraw/zinc/53/45/18/937534518.db2.gz JOQGZIOJCZYZBY-RYQLBKOJSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001460559571 937534521 /nfs/dbraw/zinc/53/45/21/937534521.db2.gz JOQGZIOJCZYZBY-RYQLBKOJSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001460559571 937534525 /nfs/dbraw/zinc/53/45/25/937534525.db2.gz JOQGZIOJCZYZBY-RYQLBKOJSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001460559571 937534528 /nfs/dbraw/zinc/53/45/28/937534528.db2.gz JOQGZIOJCZYZBY-RYQLBKOJSA-N 2 1 272.436 3.330 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001460559528 937534700 /nfs/dbraw/zinc/53/47/00/937534700.db2.gz IQEVGGFUQZHQIZ-IAGOWNOFSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000163474622 932002784 /nfs/dbraw/zinc/00/27/84/932002784.db2.gz AECGHRUSPWOPGX-KSSFIOAISA-N 2 1 268.404 3.257 20 0 CGADMP COc1cc2cc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c2cc1F ZINC000420235728 932034341 /nfs/dbraw/zinc/03/43/41/932034341.db2.gz IWOCSLBHBRDXEF-RYUDHWBXSA-N 2 1 289.354 3.064 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cccc(CC3CCC3)c2)CC1 ZINC001461004040 937559113 /nfs/dbraw/zinc/55/91/13/937559113.db2.gz DXHPWHXVQOXIPI-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001461049548 937561200 /nfs/dbraw/zinc/56/12/00/937561200.db2.gz FWFXQYWPQCWGFI-DSLCMKTCSA-N 2 1 274.383 3.055 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC001461049548 937561203 /nfs/dbraw/zinc/56/12/03/937561203.db2.gz FWFXQYWPQCWGFI-DSLCMKTCSA-N 2 1 274.383 3.055 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](C)C[C@H]34)oc2cc1C ZINC001461824922 937599806 /nfs/dbraw/zinc/59/98/06/937599806.db2.gz AIHPAWCKJISXLX-FHLIZLRMSA-N 2 1 298.430 3.479 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@H+](C)C[C@H]34)oc2cc1C ZINC001461824922 937599809 /nfs/dbraw/zinc/59/98/09/937599809.db2.gz AIHPAWCKJISXLX-FHLIZLRMSA-N 2 1 298.430 3.479 20 0 CGADMP CCC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001461899676 937605667 /nfs/dbraw/zinc/60/56/67/937605667.db2.gz OTZYOWJWVAGYCD-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP CC[C@H]1CCCC[C@@H]1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001462321763 937632721 /nfs/dbraw/zinc/63/27/21/937632721.db2.gz YAQAWGKHWSZRQA-ZWKOTPCHSA-N 2 1 297.531 3.018 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC001462423980 937639901 /nfs/dbraw/zinc/63/99/01/937639901.db2.gz CDLRYVUZZGJMJB-QGZVFWFLSA-N 2 1 274.452 3.308 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC001462423980 937639903 /nfs/dbraw/zinc/63/99/03/937639903.db2.gz CDLRYVUZZGJMJB-QGZVFWFLSA-N 2 1 274.452 3.308 20 0 CGADMP CCCC1CCC(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001308256395 933083634 /nfs/dbraw/zinc/08/36/34/933083634.db2.gz NEOJRJYMVYVKMN-HIEASXQVSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC1CCC(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001308256395 933083636 /nfs/dbraw/zinc/08/36/36/933083636.db2.gz NEOJRJYMVYVKMN-HIEASXQVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001462670004 937658291 /nfs/dbraw/zinc/65/82/91/937658291.db2.gz PGORSIXYBOFRGR-FDYHWXHSSA-N 2 1 278.362 3.037 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC001308634275 933146203 /nfs/dbraw/zinc/14/62/03/933146203.db2.gz JZAVQPGGBRPYER-HYVNUMGLSA-N 2 1 264.457 3.371 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC001308970703 933217981 /nfs/dbraw/zinc/21/79/81/933217981.db2.gz NCKBLPMNIKLDEH-HNNXBMFYSA-N 2 1 290.451 3.072 20 0 CGADMP CCCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001473759419 937820146 /nfs/dbraw/zinc/82/01/46/937820146.db2.gz FYXLOGMMLOBGQX-OAHLLOKOSA-N 2 1 261.413 3.172 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319211012 933843294 /nfs/dbraw/zinc/84/32/94/933843294.db2.gz IDPSLGAJWIPWIG-USXIJHARSA-N 2 1 290.451 3.089 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001319660922 933911584 /nfs/dbraw/zinc/91/15/84/933911584.db2.gz ZTTDNCRIYOJHQQ-SJORKVTESA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001319660922 933911588 /nfs/dbraw/zinc/91/15/88/933911588.db2.gz ZTTDNCRIYOJHQQ-SJORKVTESA-N 2 1 275.440 3.484 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C[C@@H](C)C1 ZINC001320071031 933993149 /nfs/dbraw/zinc/99/31/49/933993149.db2.gz MPZYTVCPZCLRKC-LYYZXLFJSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)[C@H](C)C1 ZINC001320217265 934018067 /nfs/dbraw/zinc/01/80/67/934018067.db2.gz BVNNHVPWCILKOD-IBEHDNSVSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC001320689462 934089424 /nfs/dbraw/zinc/08/94/24/934089424.db2.gz FMMSIDIEGFLELX-BZUAXINKSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)c1ccccc1 ZINC001320901648 934120711 /nfs/dbraw/zinc/12/07/11/934120711.db2.gz XNOWFYHBVSFHBG-PVAVHDDUSA-N 2 1 260.425 3.253 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001321409822 934182936 /nfs/dbraw/zinc/18/29/36/934182936.db2.gz DVOXXYVYVKNPMY-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001321409822 934182937 /nfs/dbraw/zinc/18/29/37/934182937.db2.gz DVOXXYVYVKNPMY-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001323904342 934437084 /nfs/dbraw/zinc/43/70/84/934437084.db2.gz NWHGHVQLUJWXMJ-GVDBMIGSSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001323904342 934437088 /nfs/dbraw/zinc/43/70/88/934437088.db2.gz NWHGHVQLUJWXMJ-GVDBMIGSSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001323904342 934437106 /nfs/dbraw/zinc/43/71/06/934437106.db2.gz NWHGHVQLUJWXMJ-GVDBMIGSSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H]([NH2+]CCc1cc(Cl)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC001326458402 934980848 /nfs/dbraw/zinc/98/08/48/934980848.db2.gz HTXMUGRVTYGTRI-GJZGRUSLSA-N 2 1 296.842 3.011 20 0 CGADMP C[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC001473676985 937816985 /nfs/dbraw/zinc/81/69/85/937816985.db2.gz AIFYNHSSCBXKJR-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001473703270 937818070 /nfs/dbraw/zinc/81/80/70/937818070.db2.gz GPRJOGJLJBSYKO-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001473703270 937818072 /nfs/dbraw/zinc/81/80/72/937818072.db2.gz GPRJOGJLJBSYKO-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001473703270 937818074 /nfs/dbraw/zinc/81/80/74/937818074.db2.gz GPRJOGJLJBSYKO-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ccc(NC(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001326905349 935014471 /nfs/dbraw/zinc/01/44/71/935014471.db2.gz KJBOKMREXCUOIQ-HNNXBMFYSA-N 2 1 288.439 3.052 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC001329022000 935179821 /nfs/dbraw/zinc/17/98/21/935179821.db2.gz BDJHCYPAWQSUIG-SWLSCSKDSA-N 2 1 296.842 3.450 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCc2ccccc2)CC1(C)C ZINC001331693339 935403656 /nfs/dbraw/zinc/40/36/56/935403656.db2.gz LPELMXOTOVDYTO-QGZVFWFLSA-N 2 1 290.451 3.056 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC001331833198 935413280 /nfs/dbraw/zinc/41/32/80/935413280.db2.gz GWVSYIRELWPAJH-MNOVXSKESA-N 2 1 290.329 3.234 20 0 CGADMP c1ccc([C@@H]2CSCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC001333159935 935515455 /nfs/dbraw/zinc/51/54/55/935515455.db2.gz BGNKIZLYNPPIKD-WBVHZDCISA-N 2 1 290.476 3.166 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3Cc4ccccc4C3)C[C@@H]2C1 ZINC001333891039 936073961 /nfs/dbraw/zinc/07/39/61/936073961.db2.gz IPJPAYCFIBCIQJ-HSALFYBXSA-N 2 1 298.474 3.064 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)cc2)C[C@H]1C ZINC001335390485 936143046 /nfs/dbraw/zinc/14/30/46/936143046.db2.gz JYOKNBSPCNYTLA-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)cc2)C[C@H]1C ZINC001335390485 936143048 /nfs/dbraw/zinc/14/30/48/936143048.db2.gz JYOKNBSPCNYTLA-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H]1C[C@@H](CCNc2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC001336391622 936191588 /nfs/dbraw/zinc/19/15/88/936191588.db2.gz LBLPNNBGUHPYOO-FUHWJXTLSA-N 2 1 295.430 3.216 20 0 CGADMP CC[C@H](C)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001473739177 937819937 /nfs/dbraw/zinc/81/99/37/937819937.db2.gz LAXBCPYWUUGSFF-HNNXBMFYSA-N 2 1 254.462 3.332 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732866 937820027 /nfs/dbraw/zinc/82/00/27/937820027.db2.gz XKFBCYQNIGVWEM-ZDUSSCGKSA-N 2 1 261.413 3.238 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732866 937820029 /nfs/dbraw/zinc/82/00/29/937820029.db2.gz XKFBCYQNIGVWEM-ZDUSSCGKSA-N 2 1 261.413 3.238 20 0 CGADMP COc1ccsc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001473936948 937831620 /nfs/dbraw/zinc/83/16/20/937831620.db2.gz JDIUAFCJZLIVIB-CQSZACIVSA-N 2 1 296.480 3.358 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C[C@H](C)O1 ZINC001474016109 937835509 /nfs/dbraw/zinc/83/55/09/937835509.db2.gz MHOBFHYWIWADSP-MEWRGDBZSA-N 2 1 294.483 3.044 20 0 CGADMP C[NH+]1CCC(C[N@H+](Cc2c(F)cccc2F)C2CC2)CC1 ZINC001474442676 937859995 /nfs/dbraw/zinc/85/99/95/937859995.db2.gz OOZIRPGSOACVAH-UHFFFAOYSA-N 2 1 294.389 3.271 20 0 CGADMP C[NH+]1CCC(C[N@@H+](Cc2c(F)cccc2F)C2CC2)CC1 ZINC001474442676 937859996 /nfs/dbraw/zinc/85/99/96/937859996.db2.gz OOZIRPGSOACVAH-UHFFFAOYSA-N 2 1 294.389 3.271 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)c1 ZINC001474557980 937866702 /nfs/dbraw/zinc/86/67/02/937866702.db2.gz OOJAMJZAKUJKRX-CVEARBPZSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC001474557980 937866704 /nfs/dbraw/zinc/86/67/04/937866704.db2.gz OOJAMJZAKUJKRX-CVEARBPZSA-N 2 1 262.441 3.244 20 0 CGADMP CC(C)CCCC[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001474747390 937878774 /nfs/dbraw/zinc/87/87/74/937878774.db2.gz BVMLJGLWJJJKNN-BBWFWOEESA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001549034473 938154469 /nfs/dbraw/zinc/15/44/69/938154469.db2.gz SRZKYTBEHYUZHI-NRSFXHEJSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549087563 938155075 /nfs/dbraw/zinc/15/50/75/938155075.db2.gz RNYRXVBSQQBXBV-SJLPKXTDSA-N 2 1 288.435 3.035 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC001549546943 938157959 /nfs/dbraw/zinc/15/79/59/938157959.db2.gz OIMODYGOQWPZMI-MXASKKJJSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC001549546943 938157960 /nfs/dbraw/zinc/15/79/60/938157960.db2.gz OIMODYGOQWPZMI-MXASKKJJSA-N 2 1 272.436 3.251 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540796 938167696 /nfs/dbraw/zinc/16/76/96/938167696.db2.gz LDARGUOFYMNUMT-IXDOHACOSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540796 938167697 /nfs/dbraw/zinc/16/76/97/938167697.db2.gz LDARGUOFYMNUMT-IXDOHACOSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540796 938167698 /nfs/dbraw/zinc/16/76/98/938167698.db2.gz LDARGUOFYMNUMT-IXDOHACOSA-N 2 1 258.409 3.021 20 0 CGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(F)F)c(F)c1)C2 ZINC001550705612 938170304 /nfs/dbraw/zinc/17/03/04/938170304.db2.gz XKDWGAPEBBRNDU-WBMJQRKESA-N 2 1 298.352 3.324 20 0 CGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 ZINC001550911320 938172416 /nfs/dbraw/zinc/17/24/16/938172416.db2.gz APFFFERWQYUJDK-AHCXZYCDSA-N 2 1 272.436 3.382 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001550935119 938172838 /nfs/dbraw/zinc/17/28/38/938172838.db2.gz SSWJCAURLBNGEX-NQYYFHDYSA-N 2 1 284.447 3.112 20 0 CGADMP FC1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001552080740 938190042 /nfs/dbraw/zinc/19/00/42/938190042.db2.gz XGAUAZGEUKFJDO-BHUNQDJPSA-N 2 1 276.399 3.350 20 0 CGADMP CC[N@@H+](CCOc1ccccc1C)CC[C@@H]1CCC[NH+]1C ZINC001559927409 938239206 /nfs/dbraw/zinc/23/92/06/938239206.db2.gz RLJPFGHQMSJXAG-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP CC[NH+](CCOc1ccccc1C)CC[C@@H]1CCC[N@@H+]1C ZINC001559927409 938239207 /nfs/dbraw/zinc/23/92/07/938239207.db2.gz RLJPFGHQMSJXAG-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP CC[NH+](CCOc1ccccc1C)CC[C@@H]1CCC[N@H+]1C ZINC001559927409 938239208 /nfs/dbraw/zinc/23/92/08/938239208.db2.gz RLJPFGHQMSJXAG-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1C ZINC001560043794 938242444 /nfs/dbraw/zinc/24/24/44/938242444.db2.gz KOMGIRPPQLIVPJ-ROUUACIJSA-N 2 1 272.436 3.077 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001560155928 938245580 /nfs/dbraw/zinc/24/55/80/938245580.db2.gz YCHNZZQKKKUNJD-SOUVJXGZSA-N 2 1 261.413 3.027 20 0 CGADMP CCCc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001560500224 938260518 /nfs/dbraw/zinc/26/05/18/938260518.db2.gz GZSIEUOLGNXHCC-QGZVFWFLSA-N 2 1 274.452 3.461 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1(C)C ZINC001560803503 938276637 /nfs/dbraw/zinc/27/66/37/938276637.db2.gz YKVULRFUTJYKHL-OWCLPIDISA-N 2 1 284.488 3.290 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001560972818 938287433 /nfs/dbraw/zinc/28/74/33/938287433.db2.gz ZFKGIVSXZUFZKU-YOEHRIQHSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001560972818 938287434 /nfs/dbraw/zinc/28/74/34/938287434.db2.gz ZFKGIVSXZUFZKU-YOEHRIQHSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001560972818 938287435 /nfs/dbraw/zinc/28/74/35/938287435.db2.gz ZFKGIVSXZUFZKU-YOEHRIQHSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001560972818 938287436 /nfs/dbraw/zinc/28/74/36/938287436.db2.gz ZFKGIVSXZUFZKU-YOEHRIQHSA-N 2 1 292.854 3.483 20 0 CGADMP CC(C)C1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC001560986860 938288122 /nfs/dbraw/zinc/28/81/22/938288122.db2.gz HBMUMWQUMKYNHP-HNNXBMFYSA-N 2 1 273.424 3.028 20 0 CGADMP CC(C)C(C[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1)C(C)C ZINC001575428890 962376346 /nfs/dbraw/zinc/37/63/46/962376346.db2.gz OWOIKNQYZSKBCN-DOTOQJQBSA-N 2 1 266.473 3.366 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001575423098 962376417 /nfs/dbraw/zinc/37/64/17/962376417.db2.gz PKBKMZRGYHXCEA-CVEARBPZSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@H](C[NH3+])C(C)C ZINC001575594315 962400045 /nfs/dbraw/zinc/40/00/45/962400045.db2.gz WFXRZEMRFWWMOW-SFHVURJKSA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC001575656081 962407987 /nfs/dbraw/zinc/40/79/87/962407987.db2.gz TYZZAMYDMJMIEU-QAPCUYQASA-N 2 1 289.467 3.229 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001575655478 962408084 /nfs/dbraw/zinc/40/80/84/962408084.db2.gz LFMQRUCOYQOEEK-INIZCTEOSA-N 2 1 262.441 3.348 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC001575656082 962408685 /nfs/dbraw/zinc/40/86/85/962408685.db2.gz TYZZAMYDMJMIEU-YJBOKZPZSA-N 2 1 289.467 3.229 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001576052161 962431366 /nfs/dbraw/zinc/43/13/66/962431366.db2.gz HWJUYVRAHPJMQQ-PUPMMZHASA-N 2 1 298.352 3.119 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001576117424 962433938 /nfs/dbraw/zinc/43/39/38/962433938.db2.gz OISBZRUQNMIVQB-ZMYBRWDISA-N 2 1 298.430 3.075 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001576117424 962433940 /nfs/dbraw/zinc/43/39/40/962433940.db2.gz OISBZRUQNMIVQB-ZMYBRWDISA-N 2 1 298.430 3.075 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001576104526 962434039 /nfs/dbraw/zinc/43/40/39/962434039.db2.gz ZZOLMBYMYLKNIG-NEPJUHHUSA-N 2 1 258.409 3.267 20 0 CGADMP C[C@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC001576159724 962442391 /nfs/dbraw/zinc/44/23/91/962442391.db2.gz VGUQORHTBQOPMD-HNNXBMFYSA-N 2 1 293.414 3.126 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC1(C)C)c1nccc2ccccc21 ZINC001576239656 962452309 /nfs/dbraw/zinc/45/23/09/962452309.db2.gz QTWRNHIDTFZHRJ-CJNGLKHVSA-N 2 1 283.419 3.274 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576435127 962460209 /nfs/dbraw/zinc/46/02/09/962460209.db2.gz PLNGKGFTJOUHJX-HLIUYOAVSA-N 2 1 250.430 3.159 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC001576680059 962487062 /nfs/dbraw/zinc/48/70/62/962487062.db2.gz XYXXCHRGHKRTAP-TWMKSMIVSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001576850873 962491127 /nfs/dbraw/zinc/49/11/27/962491127.db2.gz WXPXEMUAMYALBW-LEUOFYLZSA-N 2 1 272.436 3.300 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(C(C)(C)[NH3+])no1 ZINC001577313302 962523106 /nfs/dbraw/zinc/52/31/06/962523106.db2.gz ZLSQOBGWNPJBPC-MRXNPFEDSA-N 2 1 299.418 3.378 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C(C)(C)[NH3+])no1 ZINC001577313302 962523127 /nfs/dbraw/zinc/52/31/27/962523127.db2.gz ZLSQOBGWNPJBPC-MRXNPFEDSA-N 2 1 299.418 3.378 20 0 CGADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC001577463072 962540769 /nfs/dbraw/zinc/54/07/69/962540769.db2.gz JIIBWDIDGFPDKP-JZXOWHBKSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC001577687673 962561642 /nfs/dbraw/zinc/56/16/42/962561642.db2.gz ORKMQBYUYALBQX-YESZJQIVSA-N 3 1 283.504 3.007 20 0 CGADMP C[N@@H+](Cc1cccc(Oc2ccccn2)c1)CC(C)(C)C[NH3+] ZINC001578494305 962592128 /nfs/dbraw/zinc/59/21/28/962592128.db2.gz MUYXOPLZJXJMTL-UHFFFAOYSA-N 2 1 299.418 3.291 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CCCCC1 ZINC001578909327 962599999 /nfs/dbraw/zinc/59/99/99/962599999.db2.gz VDWMMNGMTNZCBY-USXIJHARSA-N 2 1 282.472 3.031 20 0 CGADMP COc1cccc(CCC[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC001579273894 962616858 /nfs/dbraw/zinc/61/68/58/962616858.db2.gz ILBCASUWOIAIBI-QAPCUYQASA-N 2 1 290.451 3.077 20 0 CGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC001579368258 962619238 /nfs/dbraw/zinc/61/92/38/962619238.db2.gz XIVAXHUEPODQMZ-BFHYXJOUSA-N 2 1 272.502 3.356 20 0 CGADMP Cc1ccc(C[NH2+][C@@]2(C[NH3+])CCCC[C@H]2C)c(C)c1 ZINC001579696874 962653549 /nfs/dbraw/zinc/65/35/49/962653549.db2.gz KNQPRDKSTAXIAN-NVXWUHKLSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)c1 ZINC001579759813 962672632 /nfs/dbraw/zinc/67/26/32/962672632.db2.gz YQDUFGWSGGSAHN-DOTOQJQBSA-N 2 1 260.425 3.048 20 0 CGADMP Cc1scc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC001579937179 962681609 /nfs/dbraw/zinc/68/16/09/962681609.db2.gz MPLYANXIZUSDQK-LBPRGKRZSA-N 2 1 278.465 3.329 20 0 CGADMP Fc1cccc(CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001580033156 962684860 /nfs/dbraw/zinc/68/48/60/962684860.db2.gz ABRHNXJIHVVSEG-FUHWJXTLSA-N 2 1 290.426 3.222 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC001580297035 962712450 /nfs/dbraw/zinc/71/24/50/962712450.db2.gz DJWBXMAXMXWSFF-UHFFFAOYSA-N 2 1 281.403 3.062 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC001580293246 962718375 /nfs/dbraw/zinc/71/83/75/962718375.db2.gz ZVFHHLOYHIVWAD-ZDUSSCGKSA-N 2 1 260.372 3.017 20 0 CGADMP c1c2cccnc2oc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580896742 962739357 /nfs/dbraw/zinc/73/93/57/962739357.db2.gz PKBYFJJFMXOCLN-CVEARBPZSA-N 2 1 299.418 3.039 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337398823 214055541 /nfs/dbraw/zinc/05/55/41/214055541.db2.gz OQLQLIZHPDIFPL-HNNXBMFYSA-N 2 1 292.471 3.379 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337398823 214055543 /nfs/dbraw/zinc/05/55/43/214055543.db2.gz OQLQLIZHPDIFPL-HNNXBMFYSA-N 2 1 292.471 3.379 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000337410334 214064219 /nfs/dbraw/zinc/06/42/19/214064219.db2.gz WOJJKNKLLUENBA-LULLPPNCSA-N 2 1 299.462 3.324 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000337410334 214064220 /nfs/dbraw/zinc/06/42/20/214064220.db2.gz WOJJKNKLLUENBA-LULLPPNCSA-N 2 1 299.462 3.324 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000337562321 214157776 /nfs/dbraw/zinc/15/77/76/214157776.db2.gz WGWKDMSWVSMFRP-UHFFFAOYSA-N 2 1 290.451 3.174 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000337562321 214157778 /nfs/dbraw/zinc/15/77/78/214157778.db2.gz WGWKDMSWVSMFRP-UHFFFAOYSA-N 2 1 290.451 3.174 20 0 CGADMP c1c2cnccc2oc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000651643551 398261568 /nfs/dbraw/zinc/26/15/68/398261568.db2.gz FUHGFTPGTNEVHQ-MRXNPFEDSA-N 2 1 299.418 3.278 20 0 CGADMP c1c2cnccc2oc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000651643551 398261569 /nfs/dbraw/zinc/26/15/69/398261569.db2.gz FUHGFTPGTNEVHQ-MRXNPFEDSA-N 2 1 299.418 3.278 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000651676124 398267358 /nfs/dbraw/zinc/26/73/58/398267358.db2.gz OVZPGYNKQAEFEG-VNQPRFMTSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359219755 529391731 /nfs/dbraw/zinc/39/17/31/529391731.db2.gz VSMOPDDXIHOCIM-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000651786451 398288115 /nfs/dbraw/zinc/28/81/15/398288115.db2.gz YQGCGUFGBSLMIX-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000651786451 398288116 /nfs/dbraw/zinc/28/81/16/398288116.db2.gz YQGCGUFGBSLMIX-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125509828 187188367 /nfs/dbraw/zinc/18/83/67/187188367.db2.gz VEQOKZVWGFWOAM-CQSZACIVSA-N 2 1 272.392 3.125 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)ccc1F ZINC000651865255 398298355 /nfs/dbraw/zinc/29/83/55/398298355.db2.gz RXZAOTDLZISBHH-AWEZNQCLSA-N 2 1 296.430 3.463 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)ccc1F ZINC000651865255 398298357 /nfs/dbraw/zinc/29/83/57/398298357.db2.gz RXZAOTDLZISBHH-AWEZNQCLSA-N 2 1 296.430 3.463 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000651866109 398299179 /nfs/dbraw/zinc/29/91/79/398299179.db2.gz VEWHVMHGUXJFLD-UHFFFAOYSA-N 2 1 273.424 3.235 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccsc1 ZINC000338006108 214354234 /nfs/dbraw/zinc/35/42/34/214354234.db2.gz DRXFNMRXBXPGGD-CYBMUJFWSA-N 2 1 277.437 3.254 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423476978 529453872 /nfs/dbraw/zinc/45/38/72/529453872.db2.gz SZFATZQUGLOATA-PWSUYJOCSA-N 2 1 290.329 3.016 20 0 CGADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000125717892 187197254 /nfs/dbraw/zinc/19/72/54/187197254.db2.gz AOMKSEAUDMVMCK-MWDXBVQZSA-N 2 1 290.451 3.081 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142526 192056066 /nfs/dbraw/zinc/05/60/66/192056066.db2.gz FHEAETDQJVKMCW-CVEARBPZSA-N 2 1 290.451 3.304 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423484021 529569446 /nfs/dbraw/zinc/56/94/46/529569446.db2.gz YDERNTLWFILGNZ-QZTJIDSGSA-N 2 1 286.394 3.436 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000414184840 529605660 /nfs/dbraw/zinc/60/56/60/529605660.db2.gz OLIKXIRIPIPSNH-QAPCUYQASA-N 2 1 290.451 3.468 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2)CC1(C)C ZINC000623336538 349780601 /nfs/dbraw/zinc/78/06/01/349780601.db2.gz VGBHDOHHAXULEY-INIZCTEOSA-N 2 1 260.425 3.082 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339366 349782587 /nfs/dbraw/zinc/78/25/87/349782587.db2.gz WNOLWUSMDGWPDZ-ZIAGYGMSSA-N 2 1 264.413 3.063 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423220035 529614162 /nfs/dbraw/zinc/61/41/62/529614162.db2.gz XTWXBKUSBJQUAU-DOMZBBRYSA-N 2 1 296.842 3.389 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(C)ccc1OC ZINC000423374360 529659889 /nfs/dbraw/zinc/65/98/89/529659889.db2.gz JUNYKNINPULORU-FMKPAKJESA-N 2 1 276.424 3.185 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cc(C)ccc1OC ZINC000423374358 529671617 /nfs/dbraw/zinc/67/16/17/529671617.db2.gz JUNYKNINPULORU-DZKIICNBSA-N 2 1 276.424 3.185 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378776 349793891 /nfs/dbraw/zinc/79/38/91/349793891.db2.gz QADDAHLGKHSTJV-MCIONIFRSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)CC1(C)C ZINC000623383460 349795550 /nfs/dbraw/zinc/79/55/50/349795550.db2.gz VNOAAJPUCZFJFT-AWEZNQCLSA-N 2 1 280.843 3.345 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623392683 349796867 /nfs/dbraw/zinc/79/68/67/349796867.db2.gz MIJFVCXAZKAWQY-INIZCTEOSA-N 2 1 290.451 3.226 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000126541512 187246980 /nfs/dbraw/zinc/24/69/80/187246980.db2.gz GUCGDTRULUMNKI-KSSFIOAISA-N 2 1 270.420 3.056 20 0 CGADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1C ZINC000623429277 349806862 /nfs/dbraw/zinc/80/68/62/349806862.db2.gz VUWQQVIMQOCSGB-INIZCTEOSA-N 2 1 290.451 3.009 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)CC1(C)C ZINC000623430238 349806954 /nfs/dbraw/zinc/80/69/54/349806954.db2.gz HAGQNILREQAVNJ-IXDOHACOSA-N 2 1 272.436 3.080 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1(C)C ZINC000623432383 349807515 /nfs/dbraw/zinc/80/75/15/349807515.db2.gz PCVLLHFPADQJSD-JONQDZQNSA-N 2 1 264.457 3.418 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000358336036 282274056 /nfs/dbraw/zinc/27/40/56/282274056.db2.gz BLENGVRJKKHEMO-BBWFWOEESA-N 2 1 282.472 3.044 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000449377595 529799939 /nfs/dbraw/zinc/79/99/39/529799939.db2.gz PGXZBZICVGSXIX-INIZCTEOSA-N 2 1 295.430 3.357 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1(C)C ZINC000623533931 349828272 /nfs/dbraw/zinc/82/82/72/349828272.db2.gz NXZRTUPRYDZHGD-ULQDDVLXSA-N 2 1 272.436 3.253 20 0 CGADMP CO[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538703 349829564 /nfs/dbraw/zinc/82/95/64/349829564.db2.gz QSJIIYSPYNBXLE-WMZOPIPTSA-N 2 1 290.451 3.011 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@@H]2CCC[C@H]21 ZINC000423337324 529807188 /nfs/dbraw/zinc/80/71/88/529807188.db2.gz AOGNTCYIBABLLI-ZSYWTGECSA-N 2 1 299.462 3.109 20 0 CGADMP c1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc2c1CCC2 ZINC000128120302 187353267 /nfs/dbraw/zinc/35/32/67/187353267.db2.gz FNPUMEQWIMFPIV-UHFFFAOYSA-N 2 1 284.447 3.139 20 0 CGADMP Cc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1C ZINC000351565923 219129139 /nfs/dbraw/zinc/12/91/39/219129139.db2.gz ATWVONFSSDZGOZ-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000351565923 219129141 /nfs/dbraw/zinc/12/91/41/219129141.db2.gz ATWVONFSSDZGOZ-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000351565923 219129142 /nfs/dbraw/zinc/12/91/42/219129142.db2.gz ATWVONFSSDZGOZ-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CCCCOc1ccccc1 ZINC000338956421 214863988 /nfs/dbraw/zinc/86/39/88/214863988.db2.gz SEAKNAXSXMCUAV-UHFFFAOYSA-N 2 1 287.407 3.030 20 0 CGADMP C[NH2+]CC[NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000423250157 529978591 /nfs/dbraw/zinc/97/85/91/529978591.db2.gz TUQSDUKQLDQLEQ-ZDUSSCGKSA-N 2 1 284.831 3.005 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423250553 529979180 /nfs/dbraw/zinc/97/91/80/529979180.db2.gz UKRIASJRQIWFCK-ZFWWWQNUSA-N 2 1 266.816 3.175 20 0 CGADMP C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CCC[NH+](C)C1 ZINC000437589697 529980586 /nfs/dbraw/zinc/98/05/86/529980586.db2.gz LAXYOVKAYFMKNQ-CYBMUJFWSA-N 2 1 289.398 3.081 20 0 CGADMP C[N@H+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CCC[NH+](C)C1 ZINC000437589697 529980587 /nfs/dbraw/zinc/98/05/87/529980587.db2.gz LAXYOVKAYFMKNQ-CYBMUJFWSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CCC[N@H+](C)C1 ZINC000437589697 529980589 /nfs/dbraw/zinc/98/05/89/529980589.db2.gz LAXYOVKAYFMKNQ-CYBMUJFWSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000437589697 529980590 /nfs/dbraw/zinc/98/05/90/529980590.db2.gz LAXYOVKAYFMKNQ-CYBMUJFWSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3ccoc32)CC1 ZINC000449264374 530051144 /nfs/dbraw/zinc/05/11/44/530051144.db2.gz LWGNVWRZDSPHFP-UHFFFAOYSA-N 2 1 284.403 3.493 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000414191356 530055009 /nfs/dbraw/zinc/05/50/09/530055009.db2.gz RVVRNBAOHZZFNZ-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000040621908 344964046 /nfs/dbraw/zinc/96/40/46/344964046.db2.gz LTINBPPDCNVITB-CQSZACIVSA-N 2 1 266.816 3.160 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622233 344964522 /nfs/dbraw/zinc/96/45/22/344964522.db2.gz NAGPHUPFBUTRGR-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000044533374 345012694 /nfs/dbraw/zinc/01/26/94/345012694.db2.gz LGHUHRRNRCXRIY-KBXCAEBGSA-N 2 1 288.435 3.078 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000127362041 187299910 /nfs/dbraw/zinc/29/99/10/187299910.db2.gz XUUABZMMQPOLKC-MAUKXSAKSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000127362041 187299911 /nfs/dbraw/zinc/29/99/11/187299911.db2.gz XUUABZMMQPOLKC-MAUKXSAKSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1OCC1CC1 ZINC000063522172 345248732 /nfs/dbraw/zinc/24/87/32/345248732.db2.gz GJPJLWWTJCMWAK-UHFFFAOYSA-N 2 1 299.418 3.160 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000127397487 187302166 /nfs/dbraw/zinc/30/21/66/187302166.db2.gz DPTCYYMNRWDPCR-YJBOKZPZSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000127397487 187302168 /nfs/dbraw/zinc/30/21/68/187302168.db2.gz DPTCYYMNRWDPCR-YJBOKZPZSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1cccc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[nH+]1 ZINC000077316533 345568819 /nfs/dbraw/zinc/56/88/19/345568819.db2.gz DVJUGCYVTVXJST-OAHLLOKOSA-N 2 1 296.418 3.423 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc(Oc2ccccc2)c1 ZINC000128100716 346037242 /nfs/dbraw/zinc/03/72/42/346037242.db2.gz NGFMFRBOBWBVLO-UHFFFAOYSA-N 2 1 270.376 3.260 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000167061216 346188082 /nfs/dbraw/zinc/18/80/82/346188082.db2.gz RBUIEOIEYZQBAP-RDTXWAMCSA-N 2 1 299.418 3.400 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351694986 219177304 /nfs/dbraw/zinc/17/73/04/219177304.db2.gz VSPMAQZNZIFFDX-JKSUJKDBSA-N 2 1 284.513 3.468 20 0 CGADMP CCS[C@@H]1CCCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351694986 219177305 /nfs/dbraw/zinc/17/73/05/219177305.db2.gz VSPMAQZNZIFFDX-JKSUJKDBSA-N 2 1 284.513 3.468 20 0 CGADMP CCS[C@@H]1CCCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351694986 219177307 /nfs/dbraw/zinc/17/73/07/219177307.db2.gz VSPMAQZNZIFFDX-JKSUJKDBSA-N 2 1 284.513 3.468 20 0 CGADMP C[C@@H](C[NH2+]C1CCCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237561817 346346365 /nfs/dbraw/zinc/34/63/65/346346365.db2.gz CPNDPCODEIVRPF-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](C[NH2+]C1CCCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000237561817 346346368 /nfs/dbraw/zinc/34/63/68/346346368.db2.gz CPNDPCODEIVRPF-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+](C/C=C\C[N@H+](C)C1CCCC1)C1CCCC1 ZINC000255754454 346397879 /nfs/dbraw/zinc/39/78/79/346397879.db2.gz IPISPDLZSDBBCV-FPLPWBNLSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@H](F)CC[N@@H+](C)[C@@H]1CCC[NH+](CC[C@H](C)F)CC1 ZINC000351729058 219188594 /nfs/dbraw/zinc/18/85/94/219188594.db2.gz CFGFJYGINBKDMA-SOUVJXGZSA-N 2 1 276.415 3.269 20 0 CGADMP C[C@H](F)CC[NH+](C)[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC000351729058 219188597 /nfs/dbraw/zinc/18/85/97/219188597.db2.gz CFGFJYGINBKDMA-SOUVJXGZSA-N 2 1 276.415 3.269 20 0 CGADMP C[C@H](F)CC[NH+](C)[C@@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000351729058 219188599 /nfs/dbraw/zinc/18/85/99/219188599.db2.gz CFGFJYGINBKDMA-SOUVJXGZSA-N 2 1 276.415 3.269 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000388737543 346571144 /nfs/dbraw/zinc/57/11/44/346571144.db2.gz IZXRMSAGRAFWGQ-JHJVBQTASA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000388737543 346571149 /nfs/dbraw/zinc/57/11/49/346571149.db2.gz IZXRMSAGRAFWGQ-JHJVBQTASA-N 2 1 280.378 3.426 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000400120441 346588733 /nfs/dbraw/zinc/58/87/33/346588733.db2.gz PAJGUWWYKCAWLN-HIERUUIUSA-N 2 1 264.457 3.131 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1F ZINC000624120372 349976616 /nfs/dbraw/zinc/97/66/16/349976616.db2.gz XLPKKJUBNZFCKA-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCC2 ZINC000624120625 349976687 /nfs/dbraw/zinc/97/66/87/349976687.db2.gz CQRZJHOIQIKEAN-UONOGXRCSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000624120263 349977284 /nfs/dbraw/zinc/97/72/84/349977284.db2.gz VASCUYRSGASIRA-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000624120263 349977287 /nfs/dbraw/zinc/97/72/87/349977287.db2.gz VASCUYRSGASIRA-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000351866372 219231582 /nfs/dbraw/zinc/23/15/82/219231582.db2.gz SFLBSCYTSACWKV-CABCVRRESA-N 2 1 297.402 3.043 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000624119767 349977551 /nfs/dbraw/zinc/97/75/51/349977551.db2.gz JBHQBYMFBVPJPT-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000624121357 349978223 /nfs/dbraw/zinc/97/82/23/349978223.db2.gz ULZFMXJQAVHLTQ-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120831 349978409 /nfs/dbraw/zinc/97/84/09/349978409.db2.gz HWVGLBYSWUOJBU-CXAGYDPISA-N 2 1 292.854 3.129 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000339409457 215155975 /nfs/dbraw/zinc/15/59/75/215155975.db2.gz YXBKQSFAOBEMNV-FUHWJXTLSA-N 2 1 274.452 3.487 20 0 CGADMP C[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000339408137 215153675 /nfs/dbraw/zinc/15/36/75/215153675.db2.gz QKGHCXGTTSHGSR-IAQYHMDHSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000339408137 215153677 /nfs/dbraw/zinc/15/36/77/215153677.db2.gz QKGHCXGTTSHGSR-IAQYHMDHSA-N 2 1 284.806 3.081 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339440692 215172301 /nfs/dbraw/zinc/17/23/01/215172301.db2.gz YZRUSNSMKLWOAG-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339440692 215172303 /nfs/dbraw/zinc/17/23/03/215172303.db2.gz YZRUSNSMKLWOAG-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339440692 215172306 /nfs/dbraw/zinc/17/23/06/215172306.db2.gz YZRUSNSMKLWOAG-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000624145809 349988037 /nfs/dbraw/zinc/98/80/37/349988037.db2.gz IMZBQJHODARDNA-FJIDUMEYSA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000624145809 349988040 /nfs/dbraw/zinc/98/80/40/349988040.db2.gz IMZBQJHODARDNA-FJIDUMEYSA-N 2 1 296.499 3.433 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359228654 233283774 /nfs/dbraw/zinc/28/37/74/233283774.db2.gz XDMXUWWBXVBINU-GFCCVEGCSA-N 2 1 282.378 3.347 20 0 CGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc(C)o2)cc1 ZINC000628200691 350437197 /nfs/dbraw/zinc/43/71/97/350437197.db2.gz XDWCSUCLPOATMN-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000628201943 350438770 /nfs/dbraw/zinc/43/87/70/350438770.db2.gz BANVXLLKXRNYGE-JKSUJKDBSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCS1 ZINC000628181437 350426474 /nfs/dbraw/zinc/42/64/74/350426474.db2.gz CKICFSGXQZWQQQ-CVEARBPZSA-N 2 1 282.497 3.222 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186737 350430214 /nfs/dbraw/zinc/43/02/14/350430214.db2.gz UYGDVODOVVTSAD-IRXDYDNUSA-N 2 1 274.452 3.372 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186737 350430218 /nfs/dbraw/zinc/43/02/18/350430218.db2.gz UYGDVODOVVTSAD-IRXDYDNUSA-N 2 1 274.452 3.372 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186737 350430219 /nfs/dbraw/zinc/43/02/19/350430219.db2.gz UYGDVODOVVTSAD-IRXDYDNUSA-N 2 1 274.452 3.372 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000628235001 350456362 /nfs/dbraw/zinc/45/63/62/350456362.db2.gz VJXDYVDPXIYHGL-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000628235001 350456365 /nfs/dbraw/zinc/45/63/65/350456365.db2.gz VJXDYVDPXIYHGL-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000628235001 350456368 /nfs/dbraw/zinc/45/63/68/350456368.db2.gz VJXDYVDPXIYHGL-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000628235001 350456370 /nfs/dbraw/zinc/45/63/70/350456370.db2.gz VJXDYVDPXIYHGL-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000628308648 350491875 /nfs/dbraw/zinc/49/18/75/350491875.db2.gz BNJXXEMCYONDFA-IAGOWNOFSA-N 2 1 274.452 3.420 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)Cc1ccccc1 ZINC000628425378 350535640 /nfs/dbraw/zinc/53/56/40/350535640.db2.gz IYOAVKWDZRCRAM-SJLPKXTDSA-N 2 1 274.452 3.187 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cc2c1 ZINC000629537845 350705925 /nfs/dbraw/zinc/70/59/25/350705925.db2.gz LSQIGFKMPIUOCJ-HNAYVOBHSA-N 2 1 297.446 3.493 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629538736 350706787 /nfs/dbraw/zinc/70/67/87/350706787.db2.gz KXSOJDLDRAKULB-VNHYZAJKSA-N 2 1 272.392 3.094 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629541723 350707438 /nfs/dbraw/zinc/70/74/38/350707438.db2.gz UUWQRRPONKQTJF-VVLHAWIVSA-N 2 1 287.451 3.146 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561511 350713524 /nfs/dbraw/zinc/71/35/24/350713524.db2.gz IGEDKNXLEPNFAK-RYUDHWBXSA-N 2 1 280.378 3.272 20 0 CGADMP Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000629580721 350714208 /nfs/dbraw/zinc/71/42/08/350714208.db2.gz FOLUPDPSIBXJRL-AWEZNQCLSA-N 2 1 297.240 3.243 20 0 CGADMP Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000629580721 350714211 /nfs/dbraw/zinc/71/42/11/350714211.db2.gz FOLUPDPSIBXJRL-AWEZNQCLSA-N 2 1 297.240 3.243 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629385337 350686590 /nfs/dbraw/zinc/68/65/90/350686590.db2.gz OBDDMKFGRIXUKB-BBRMVZONSA-N 2 1 290.476 3.214 20 0 CGADMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC000629712571 350750508 /nfs/dbraw/zinc/75/05/08/350750508.db2.gz PYZIKRXJWFVCSC-GOSISDBHSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC000629712571 350750510 /nfs/dbraw/zinc/75/05/10/350750510.db2.gz PYZIKRXJWFVCSC-GOSISDBHSA-N 2 1 296.414 3.285 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629656765 350731489 /nfs/dbraw/zinc/73/14/89/350731489.db2.gz QHFBEXMGUSCDLE-XJFOESAGSA-N 2 1 292.389 3.272 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631034971 350932294 /nfs/dbraw/zinc/93/22/94/350932294.db2.gz HANTVIWXZSQCNK-CYBMUJFWSA-N 2 1 297.393 3.373 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631034971 350932295 /nfs/dbraw/zinc/93/22/95/350932295.db2.gz HANTVIWXZSQCNK-CYBMUJFWSA-N 2 1 297.393 3.373 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000631035646 350933054 /nfs/dbraw/zinc/93/30/54/350933054.db2.gz NNFMAJAEWFBQJD-WAYWQWQTSA-N 2 1 272.436 3.309 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC000631045850 350935395 /nfs/dbraw/zinc/93/53/95/350935395.db2.gz WCGOWOWZBUWOTL-AWEZNQCLSA-N 2 1 286.394 3.410 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000631189266 350984110 /nfs/dbraw/zinc/98/41/10/350984110.db2.gz RFJMEYIDKYOJAB-GOEBONIOSA-N 2 1 278.415 3.377 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)F)CC[N@H+]1Cc1ccccc1 ZINC000631189266 350984114 /nfs/dbraw/zinc/98/41/14/350984114.db2.gz RFJMEYIDKYOJAB-GOEBONIOSA-N 2 1 278.415 3.377 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631107579 350956340 /nfs/dbraw/zinc/95/63/40/350956340.db2.gz DMMKJXCROZTRFD-UHFFFAOYSA-N 2 1 298.352 3.143 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCCc2ncccc21 ZINC000631642967 351102831 /nfs/dbraw/zinc/10/28/31/351102831.db2.gz SAARVSXQXUGSDT-QGZVFWFLSA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631642967 351102834 /nfs/dbraw/zinc/10/28/34/351102834.db2.gz SAARVSXQXUGSDT-QGZVFWFLSA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631642967 351102838 /nfs/dbraw/zinc/10/28/38/351102838.db2.gz SAARVSXQXUGSDT-QGZVFWFLSA-N 2 1 275.440 3.027 20 0 CGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000631651527 351106424 /nfs/dbraw/zinc/10/64/24/351106424.db2.gz KTUCEEDWIFCKCS-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP CC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631662936 351109746 /nfs/dbraw/zinc/10/97/46/351109746.db2.gz GVLQTEAOZXFUMV-HILOLKJVSA-N 2 1 272.436 3.143 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631576422 351074240 /nfs/dbraw/zinc/07/42/40/351074240.db2.gz AECHUKNJKOMSIF-QAPCUYQASA-N 2 1 287.451 3.169 20 0 CGADMP Cc1cc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000631833665 351149773 /nfs/dbraw/zinc/14/97/73/351149773.db2.gz FSZPBPXXYSZCAP-INIZCTEOSA-N 2 1 283.419 3.247 20 0 CGADMP Cc1cc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000631833665 351149776 /nfs/dbraw/zinc/14/97/76/351149776.db2.gz FSZPBPXXYSZCAP-INIZCTEOSA-N 2 1 283.419 3.247 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634684277 351570572 /nfs/dbraw/zinc/57/05/72/351570572.db2.gz LUMHIUCTAPHQAH-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)c2ccccc21 ZINC000635003130 351621828 /nfs/dbraw/zinc/62/18/28/351621828.db2.gz GMKISBMHMZEZOU-MKXGPGLRSA-N 2 1 294.398 3.251 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635010018 351628320 /nfs/dbraw/zinc/62/83/20/351628320.db2.gz PRJXRQBRQAZWHS-RYUDHWBXSA-N 2 1 292.732 3.328 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cc(F)ccc1F ZINC000635010614 351628351 /nfs/dbraw/zinc/62/83/51/351628351.db2.gz KQTKUTKTBCUBEB-AAEUAGOBSA-N 2 1 282.378 3.394 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cc(F)ccc1F ZINC000635010617 351629266 /nfs/dbraw/zinc/62/92/66/351629266.db2.gz KQTKUTKTBCUBEB-YPMHNXCESA-N 2 1 282.378 3.394 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCC2CCCC2)CC[N@@H+]1C ZINC000122077504 187013720 /nfs/dbraw/zinc/01/37/20/187013720.db2.gz PEDYGBWCYSKUOI-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCC2CCCC2)CC[N@H+]1C ZINC000122077504 187013721 /nfs/dbraw/zinc/01/37/21/187013721.db2.gz PEDYGBWCYSKUOI-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCC2CCCC2)CC[NH+]1C ZINC000122077504 187013722 /nfs/dbraw/zinc/01/37/22/187013722.db2.gz PEDYGBWCYSKUOI-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCC2CCCC2)CC[NH+]1C ZINC000122077504 187013723 /nfs/dbraw/zinc/01/37/23/187013723.db2.gz PEDYGBWCYSKUOI-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000123386924 187088726 /nfs/dbraw/zinc/08/87/26/187088726.db2.gz BXDYZIAYNPKALA-TZMCWYRMSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000123386924 187088727 /nfs/dbraw/zinc/08/87/27/187088727.db2.gz BXDYZIAYNPKALA-TZMCWYRMSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH+]1C ZINC000123386924 187088728 /nfs/dbraw/zinc/08/87/28/187088728.db2.gz BXDYZIAYNPKALA-TZMCWYRMSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH+]1C ZINC000123386924 187088729 /nfs/dbraw/zinc/08/87/29/187088729.db2.gz BXDYZIAYNPKALA-TZMCWYRMSA-N 2 1 298.377 3.203 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000123972319 187116324 /nfs/dbraw/zinc/11/63/24/187116324.db2.gz LWCQAFPQCIAXJD-HOCLYGCPSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000123972319 187116325 /nfs/dbraw/zinc/11/63/25/187116325.db2.gz LWCQAFPQCIAXJD-HOCLYGCPSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCOc2ccc(F)cc2)CC[NH+]1C ZINC000123972319 187116326 /nfs/dbraw/zinc/11/63/26/187116326.db2.gz LWCQAFPQCIAXJD-HOCLYGCPSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCOc2ccc(F)cc2)CC[NH+]1C ZINC000123972319 187116327 /nfs/dbraw/zinc/11/63/27/187116327.db2.gz LWCQAFPQCIAXJD-HOCLYGCPSA-N 2 1 294.414 3.009 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000271504028 191180725 /nfs/dbraw/zinc/18/07/25/191180725.db2.gz MOIMAHOCKVHBLJ-DLBZAZTESA-N 2 1 289.467 3.409 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cn2)C1 ZINC000271565815 191215982 /nfs/dbraw/zinc/21/59/82/191215982.db2.gz XTTHCMLQYXJONG-CABCVRRESA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cn2)C1 ZINC000271565815 191215986 /nfs/dbraw/zinc/21/59/86/191215986.db2.gz XTTHCMLQYXJONG-CABCVRRESA-N 2 1 293.430 3.239 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271577003 191222024 /nfs/dbraw/zinc/22/20/24/191222024.db2.gz ZTNHQWHRDNOFOS-BFYDXBDKSA-N 2 1 292.492 3.238 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262933 198222626 /nfs/dbraw/zinc/22/26/26/198222626.db2.gz YWBKYDDOOWIDRV-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262933 198222628 /nfs/dbraw/zinc/22/26/28/198222628.db2.gz YWBKYDDOOWIDRV-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262933 198222630 /nfs/dbraw/zinc/22/26/30/198222630.db2.gz YWBKYDDOOWIDRV-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000292272404 198226632 /nfs/dbraw/zinc/22/66/32/198226632.db2.gz ZQUZTOAUEAQFCP-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc2n1 ZINC000292272404 198226633 /nfs/dbraw/zinc/22/66/33/198226633.db2.gz ZQUZTOAUEAQFCP-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc2n1 ZINC000292272404 198226634 /nfs/dbraw/zinc/22/66/34/198226634.db2.gz ZQUZTOAUEAQFCP-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152435082 188018361 /nfs/dbraw/zinc/01/83/61/188018361.db2.gz PBJHFZGLIOYHAA-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152435082 188018362 /nfs/dbraw/zinc/01/83/62/188018362.db2.gz PBJHFZGLIOYHAA-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000152435082 188018363 /nfs/dbraw/zinc/01/83/63/188018363.db2.gz PBJHFZGLIOYHAA-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000152435082 188018364 /nfs/dbraw/zinc/01/83/64/188018364.db2.gz PBJHFZGLIOYHAA-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCF ZINC000368509253 234317045 /nfs/dbraw/zinc/31/70/45/234317045.db2.gz YZPIRFPEJDFHGC-RDJZCZTQSA-N 2 1 278.415 3.236 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCF ZINC000368509253 234317049 /nfs/dbraw/zinc/31/70/49/234317049.db2.gz YZPIRFPEJDFHGC-RDJZCZTQSA-N 2 1 278.415 3.236 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000158464828 188377676 /nfs/dbraw/zinc/37/76/76/188377676.db2.gz YWZQBNUIDBCTHS-APWZRJJASA-N 2 1 297.446 3.025 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000246467094 290388144 /nfs/dbraw/zinc/38/81/44/290388144.db2.gz KAHDOHGXOFXVEV-GJZGRUSLSA-N 2 1 282.472 3.187 20 0 CGADMP FC1(F)CCCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459565062 282945133 /nfs/dbraw/zinc/94/51/33/282945133.db2.gz XPSOIDSWQNVTRD-CYBMUJFWSA-N 2 1 286.410 3.418 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000271731754 191295593 /nfs/dbraw/zinc/29/55/93/191295593.db2.gz YPQUWYZFINACKG-LSDHHAIUSA-N 2 1 276.424 3.139 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000271731754 191295596 /nfs/dbraw/zinc/29/55/96/191295596.db2.gz YPQUWYZFINACKG-LSDHHAIUSA-N 2 1 276.424 3.139 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000271833263 191355833 /nfs/dbraw/zinc/35/58/33/191355833.db2.gz FGIVDNPUBBFPQL-GFCCVEGCSA-N 2 1 264.438 3.223 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccn1 ZINC000271874997 191381795 /nfs/dbraw/zinc/38/17/95/191381795.db2.gz NSCGFSPVWVDDTC-QGZVFWFLSA-N 2 1 273.424 3.020 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414071919 235329333 /nfs/dbraw/zinc/32/93/33/235329333.db2.gz LBSFVOQVLPIJRZ-NEPXVJNWSA-N 2 1 286.463 3.185 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000414176014 235354575 /nfs/dbraw/zinc/35/45/75/235354575.db2.gz IUTSQUAMPHBAEQ-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180161 235355704 /nfs/dbraw/zinc/35/57/04/235355704.db2.gz LIYCBDKGFNGZGZ-HKCMKHECSA-N 2 1 296.817 3.265 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180161 235355706 /nfs/dbraw/zinc/35/57/06/235355706.db2.gz LIYCBDKGFNGZGZ-HKCMKHECSA-N 2 1 296.817 3.265 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000414183167 235357252 /nfs/dbraw/zinc/35/72/52/235357252.db2.gz NPTFPFIBSOTCEO-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1ccc(C2CC([NH2+]CC3=CC[N@@H+](C)CC3)C2)cc1 ZINC000272999422 192014088 /nfs/dbraw/zinc/01/40/88/192014088.db2.gz YXEVKSUSEHOFBB-UHFFFAOYSA-N 2 1 270.420 3.093 20 0 CGADMP CC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000272984381 192007665 /nfs/dbraw/zinc/00/76/65/192007665.db2.gz YPNHGXMLEJJAFZ-AUCMRZJMSA-N 2 1 272.436 3.428 20 0 CGADMP CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000272984381 192007668 /nfs/dbraw/zinc/00/76/68/192007668.db2.gz YPNHGXMLEJJAFZ-AUCMRZJMSA-N 2 1 272.436 3.428 20 0 CGADMP c1cc(-c2ncc(C[NH2+]CC[C@H]3CCC[NH2+]3)s2)cs1 ZINC000414909792 235492614 /nfs/dbraw/zinc/49/26/14/235492614.db2.gz UKKPVFQJKQPYMK-GFCCVEGCSA-N 2 1 293.461 3.103 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000353564897 283187460 /nfs/dbraw/zinc/18/74/60/283187460.db2.gz PNEXGPMXOJBYIN-CABCVRRESA-N 2 1 278.440 3.033 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000353564897 283187464 /nfs/dbraw/zinc/18/74/64/283187464.db2.gz PNEXGPMXOJBYIN-CABCVRRESA-N 2 1 278.440 3.033 20 0 CGADMP COc1cccc([C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000123684004 138369114 /nfs/dbraw/zinc/36/91/14/138369114.db2.gz XVJSLQQDCSPGKV-BBRMVZONSA-N 2 1 264.413 3.061 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000130193715 138399570 /nfs/dbraw/zinc/39/95/70/138399570.db2.gz WICNMZDMPFOGNP-IUIKQTSFSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000130193715 138399571 /nfs/dbraw/zinc/39/95/71/138399571.db2.gz WICNMZDMPFOGNP-IUIKQTSFSA-N 2 1 280.362 3.242 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000423234145 236004129 /nfs/dbraw/zinc/00/41/29/236004129.db2.gz LCTOAESWSGHPMG-KBPBESRZSA-N 2 1 284.403 3.251 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1 ZINC000423261831 236012762 /nfs/dbraw/zinc/01/27/62/236012762.db2.gz LAOFPXRMNUBORQ-BRWVUGGUSA-N 2 1 289.467 3.379 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1 ZINC000423261833 236013252 /nfs/dbraw/zinc/01/32/52/236013252.db2.gz LAOFPXRMNUBORQ-IXDOHACOSA-N 2 1 289.467 3.379 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423400227 236064394 /nfs/dbraw/zinc/06/43/94/236064394.db2.gz QBPQQPZUEMOGLF-STQMWFEESA-N 2 1 273.424 3.161 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423528073 236093302 /nfs/dbraw/zinc/09/33/02/236093302.db2.gz NRAKDFNXVFTKER-NSHDSACASA-N 2 1 282.815 3.141 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423547325 236097220 /nfs/dbraw/zinc/09/72/20/236097220.db2.gz FZCITAZLBKRXRQ-UKRRQHHQSA-N 2 1 272.392 3.096 20 0 CGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424373930 236158732 /nfs/dbraw/zinc/15/87/32/236158732.db2.gz KHDXVKUIEKVROK-MORSLUCNSA-N 2 1 299.393 3.137 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000424298346 236144325 /nfs/dbraw/zinc/14/43/25/236144325.db2.gz ULXXYORGDRFYLS-OWCLPIDISA-N 2 1 262.372 3.063 20 0 CGADMP COCC(C)(C)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000426416602 236294058 /nfs/dbraw/zinc/29/40/58/236294058.db2.gz KHGKPXSYSCTISH-QGZVFWFLSA-N 2 1 296.499 3.247 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3ccoc32)CC[N@H+]1C ZINC000336221991 213050212 /nfs/dbraw/zinc/05/02/12/213050212.db2.gz CUKPKBNVWFYAHM-IUODEOHRSA-N 2 1 258.365 3.005 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311711 237079375 /nfs/dbraw/zinc/07/93/75/237079375.db2.gz UATSRIWHPCOQSV-WNOSKKOXSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311711 237079380 /nfs/dbraw/zinc/07/93/80/237079380.db2.gz UATSRIWHPCOQSV-WNOSKKOXSA-N 2 1 276.399 3.002 20 0 CGADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000437171778 237258909 /nfs/dbraw/zinc/25/89/09/237258909.db2.gz MLTBDQBCXFPBDV-SNVBAGLBSA-N 2 1 273.207 3.083 20 0 CGADMP C[C@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000437595804 237312782 /nfs/dbraw/zinc/31/27/82/237312782.db2.gz ZTVGRGWJUGCJQS-OAHLLOKOSA-N 2 1 290.426 3.489 20 0 CGADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000297560665 200228366 /nfs/dbraw/zinc/22/83/66/200228366.db2.gz QNTCUJJOJXHGKO-LRDDRELGSA-N 2 1 281.359 3.341 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CCc1cccc(Cl)c1 ZINC000298272120 200378802 /nfs/dbraw/zinc/37/88/02/200378802.db2.gz GKINWEAYGOZWBB-UHFFFAOYSA-N 2 1 291.826 3.457 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CC2)cc1F ZINC000177251598 189039933 /nfs/dbraw/zinc/03/99/33/189039933.db2.gz PPLSKTLYJVOKLU-NSHDSACASA-N 2 1 273.355 3.208 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000177819218 189072172 /nfs/dbraw/zinc/07/21/72/189072172.db2.gz PNGATHWWDAZYIU-LISAXSMJSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2ccccc2n1 ZINC000177945116 189080945 /nfs/dbraw/zinc/08/09/45/189080945.db2.gz DOHVNPBIOASQNP-GJZGRUSLSA-N 2 1 295.430 3.370 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2n1 ZINC000177945116 189080946 /nfs/dbraw/zinc/08/09/46/189080946.db2.gz DOHVNPBIOASQNP-GJZGRUSLSA-N 2 1 295.430 3.370 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC000178511606 189122863 /nfs/dbraw/zinc/12/28/63/189122863.db2.gz KKDUPEYKAPNAOI-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC000178694966 189138193 /nfs/dbraw/zinc/13/81/93/189138193.db2.gz FMYOTVWZWYIYPM-QWHCGFSZSA-N 2 1 275.371 3.318 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000178702836 189138986 /nfs/dbraw/zinc/13/89/86/189138986.db2.gz MHQWXJOGFHSIRN-WMLDXEAASA-N 2 1 299.418 3.331 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000178786164 189145865 /nfs/dbraw/zinc/14/58/65/189145865.db2.gz UAIYPIOOAOHRIB-NSHDSACASA-N 2 1 292.452 3.396 20 0 CGADMP Cc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1C ZINC000179834080 189223050 /nfs/dbraw/zinc/22/30/50/189223050.db2.gz VXEFGUNLGFPSIS-UHFFFAOYSA-N 2 1 260.425 3.266 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1 ZINC000180719069 189271777 /nfs/dbraw/zinc/27/17/77/189271777.db2.gz GYIXUKVYSFTEAX-GDBMZVCRSA-N 2 1 276.424 3.220 20 0 CGADMP Cc1ccccc1CCC[N@@H+](C)CCCn1ccnc1 ZINC000181107543 189288520 /nfs/dbraw/zinc/28/85/20/189288520.db2.gz OBCXLUDYJZOATJ-UHFFFAOYSA-N 2 1 271.408 3.146 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181495840 189298737 /nfs/dbraw/zinc/29/87/37/189298737.db2.gz UXWZIEMWYOSOHH-ZDUSSCGKSA-N 2 1 273.380 3.028 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)nc1 ZINC000181384826 189295793 /nfs/dbraw/zinc/29/57/93/189295793.db2.gz QRJAVFISPDGDJH-GFCCVEGCSA-N 2 1 293.842 3.260 20 0 CGADMP Cc1cc[nH+]c(NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000301662163 201122635 /nfs/dbraw/zinc/12/26/35/201122635.db2.gz YAKLZPDIZHBLFF-UHFFFAOYSA-N 2 1 281.403 3.250 20 0 CGADMP Cc1cc[nH+]c(NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000301662163 201122639 /nfs/dbraw/zinc/12/26/39/201122639.db2.gz YAKLZPDIZHBLFF-UHFFFAOYSA-N 2 1 281.403 3.250 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2cccnc2o1 ZINC000449063676 239152836 /nfs/dbraw/zinc/15/28/36/239152836.db2.gz QPEPICTZWSOGER-AWEZNQCLSA-N 2 1 287.407 3.182 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2cccnc2o1 ZINC000449063676 239152839 /nfs/dbraw/zinc/15/28/39/239152839.db2.gz QPEPICTZWSOGER-AWEZNQCLSA-N 2 1 287.407 3.182 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000449072691 239159578 /nfs/dbraw/zinc/15/95/78/239159578.db2.gz KVBVZSYABCPNEP-KNCOVGOOSA-N 2 1 263.429 3.242 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCSCC)CC1 ZINC000119946868 370725082 /nfs/dbraw/zinc/72/50/82/370725082.db2.gz GBKVKVHAQYOQKD-UHFFFAOYSA-N 2 1 272.502 3.183 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335633558 212349032 /nfs/dbraw/zinc/34/90/32/212349032.db2.gz JUBNKHHPOVGRPO-DLBZAZTESA-N 2 1 295.430 3.056 20 0 CGADMP C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450727191 240055205 /nfs/dbraw/zinc/05/52/05/240055205.db2.gz LZUGZSNPSUQEGU-GXTWGEPZSA-N 2 1 286.410 3.274 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1 ZINC000275611461 193086201 /nfs/dbraw/zinc/08/62/01/193086201.db2.gz QYBBRXACVGSDAC-VXGBXAGGSA-N 2 1 291.345 3.075 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275632503 193091099 /nfs/dbraw/zinc/09/10/99/193091099.db2.gz SMJMPHJBCTVNBV-SJORKVTESA-N 2 1 283.419 3.056 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)c(F)c1 ZINC000453409446 240923654 /nfs/dbraw/zinc/92/36/54/240923654.db2.gz UFNWQSHMNPHDHU-GFCCVEGCSA-N 2 1 282.378 3.490 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000459373672 242094127 /nfs/dbraw/zinc/09/41/27/242094127.db2.gz LEUFFJSFYZCAMC-RDTXWAMCSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000459373672 242094129 /nfs/dbraw/zinc/09/41/29/242094129.db2.gz LEUFFJSFYZCAMC-RDTXWAMCSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)CC[NH+]1C ZINC000459373672 242094130 /nfs/dbraw/zinc/09/41/30/242094130.db2.gz LEUFFJSFYZCAMC-RDTXWAMCSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)CC[NH+]1C ZINC000459373672 242094132 /nfs/dbraw/zinc/09/41/32/242094132.db2.gz LEUFFJSFYZCAMC-RDTXWAMCSA-N 2 1 272.436 3.479 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000459721026 242192218 /nfs/dbraw/zinc/19/22/18/242192218.db2.gz AFDIPUVMXIYTFE-AWEZNQCLSA-N 2 1 298.377 3.110 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000459738051 242201293 /nfs/dbraw/zinc/20/12/93/242201293.db2.gz XIGNKXNLFRMDKS-JWZBEHFJSA-N 2 1 276.399 3.002 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000459772270 242223815 /nfs/dbraw/zinc/22/38/15/242223815.db2.gz IIQWDXCELFTCSW-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000459790097 242235001 /nfs/dbraw/zinc/23/50/01/242235001.db2.gz QTQJAQCUJFETIT-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)CC[N@@H+]1C ZINC000462881190 242372713 /nfs/dbraw/zinc/37/27/13/242372713.db2.gz LQOQGAPULRCOQX-WCQYABFASA-N 2 1 289.810 3.205 20 0 CGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)CC[N@H+]1C ZINC000462881190 242372716 /nfs/dbraw/zinc/37/27/16/242372716.db2.gz LQOQGAPULRCOQX-WCQYABFASA-N 2 1 289.810 3.205 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCC(C)C ZINC000121488162 370865207 /nfs/dbraw/zinc/86/52/07/370865207.db2.gz URRPTQYCHIHAJG-KGLIPLIRSA-N 2 1 251.418 3.242 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000480768888 243163943 /nfs/dbraw/zinc/16/39/43/243163943.db2.gz OJXFEOOOTCECBL-FGTMMUONSA-N 2 1 296.499 3.148 20 0 CGADMP C(C[N@@H+](CC1CC1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000479671521 243119407 /nfs/dbraw/zinc/11/94/07/243119407.db2.gz ABNBQNGLFWPGQB-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000482212748 243220144 /nfs/dbraw/zinc/22/01/44/243220144.db2.gz QNXLCIVZISWNID-JQHSSLGASA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000482212748 243220149 /nfs/dbraw/zinc/22/01/49/243220149.db2.gz QNXLCIVZISWNID-JQHSSLGASA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@@H](C)[C@H](CC)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482542997 243231946 /nfs/dbraw/zinc/23/19/46/243231946.db2.gz KBTUKGBGMOGPTA-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+]1CCCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000125227217 370932953 /nfs/dbraw/zinc/93/29/53/370932953.db2.gz QNAFXJWOBICXRE-UHFFFAOYSA-N 2 1 287.382 3.214 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996326 369047411 /nfs/dbraw/zinc/04/74/11/369047411.db2.gz CCULJWMTQSQBTH-DJIMGWMZSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996326 369047413 /nfs/dbraw/zinc/04/74/13/369047413.db2.gz CCULJWMTQSQBTH-DJIMGWMZSA-N 2 1 258.409 3.007 20 0 CGADMP C[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000036846330 369034737 /nfs/dbraw/zinc/03/47/37/369034737.db2.gz IZYREVWQPYAMJO-UHFFFAOYSA-N 2 1 278.827 3.270 20 0 CGADMP CC(C)Oc1cccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000036997311 369048630 /nfs/dbraw/zinc/04/86/30/369048630.db2.gz SIMIPRXBNHEBSO-CQSZACIVSA-N 2 1 276.424 3.219 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2COCC)CC1 ZINC000037762185 369104440 /nfs/dbraw/zinc/10/44/40/369104440.db2.gz ILHOYMPAIAFPCQ-UHFFFAOYSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649364 369097214 /nfs/dbraw/zinc/09/72/14/369097214.db2.gz GSGDEQOJOZGGMJ-STQMWFEESA-N 2 1 278.827 3.475 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000037649227 369098138 /nfs/dbraw/zinc/09/81/38/369098138.db2.gz SYESUSDOPHKDRA-NWDGAFQWSA-N 2 1 280.362 3.100 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1COc2ccccc21 ZINC000423003985 299399637 /nfs/dbraw/zinc/39/96/37/299399637.db2.gz NXNWQDHVSSZEJL-FCRVUTKVSA-N 2 1 294.398 3.286 20 0 CGADMP Cc1cc(Cl)cc(C)c1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000495107684 244357527 /nfs/dbraw/zinc/35/75/27/244357527.db2.gz JWOUKBFDDUKPSG-WMLDXEAASA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000495107684 244357530 /nfs/dbraw/zinc/35/75/30/244357530.db2.gz JWOUKBFDDUKPSG-WMLDXEAASA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000495107684 244357533 /nfs/dbraw/zinc/35/75/33/244357533.db2.gz JWOUKBFDDUKPSG-WMLDXEAASA-N 2 1 292.854 3.483 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1OC ZINC000049554028 369409360 /nfs/dbraw/zinc/40/93/60/369409360.db2.gz YFVHIKJMGFSNRB-DZGCQCFKSA-N 2 1 264.413 3.076 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000219150206 376197429 /nfs/dbraw/zinc/19/74/29/376197429.db2.gz NDNFQTFKKFIDMU-AWEZNQCLSA-N 2 1 294.439 3.085 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000219150206 376197436 /nfs/dbraw/zinc/19/74/36/376197436.db2.gz NDNFQTFKKFIDMU-AWEZNQCLSA-N 2 1 294.439 3.085 20 0 CGADMP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000061328133 369598566 /nfs/dbraw/zinc/59/85/66/369598566.db2.gz RONVZYJODIUQJS-IUODEOHRSA-N 2 1 276.449 3.199 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(F)c1 ZINC000062078674 369619307 /nfs/dbraw/zinc/61/93/07/369619307.db2.gz DWUISVSCHOPJKG-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000069754008 369769975 /nfs/dbraw/zinc/76/99/75/369769975.db2.gz XFVZERDXUFLEQP-UHFFFAOYSA-N 2 1 297.324 3.390 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000070344087 369795629 /nfs/dbraw/zinc/79/56/29/369795629.db2.gz LAEJBKBIACCVOW-BBWFWOEESA-N 2 1 282.472 3.044 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000076002385 369924976 /nfs/dbraw/zinc/92/49/76/369924976.db2.gz LMJUBEVQFHDCPE-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c2ccccc2n1 ZINC000092345960 370094977 /nfs/dbraw/zinc/09/49/77/370094977.db2.gz HRUWCTTZTPCJLI-KDOFPFPSSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c2ccccc2n1 ZINC000092345960 370094981 /nfs/dbraw/zinc/09/49/81/370094981.db2.gz HRUWCTTZTPCJLI-KDOFPFPSSA-N 2 1 283.419 3.245 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000093370369 370119754 /nfs/dbraw/zinc/11/97/54/370119754.db2.gz SFUMMVDZNDWNMH-INIZCTEOSA-N 2 1 276.424 3.139 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)c2C)C1 ZINC000093770264 370158332 /nfs/dbraw/zinc/15/83/32/370158332.db2.gz LVFSNVROQIKKND-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000093770264 370158337 /nfs/dbraw/zinc/15/83/37/370158337.db2.gz LVFSNVROQIKKND-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000093770264 370158341 /nfs/dbraw/zinc/15/83/41/370158341.db2.gz LVFSNVROQIKKND-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)c2ccccc12 ZINC000112355510 370422864 /nfs/dbraw/zinc/42/28/64/370422864.db2.gz FOPMOWSEGRHBDL-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000513654498 245087355 /nfs/dbraw/zinc/08/73/55/245087355.db2.gz IUACPNHKQYUDCU-PMPSAXMXSA-N 2 1 278.827 3.302 20 0 CGADMP C[N@@H+](C[C@@H]1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513145484 245067204 /nfs/dbraw/zinc/06/72/04/245067204.db2.gz UMGCOZVGMDQQAT-AZCLRUCKSA-N 2 1 298.474 3.349 20 0 CGADMP C[NH+](C[C@@H]1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513145484 245067206 /nfs/dbraw/zinc/06/72/06/245067206.db2.gz UMGCOZVGMDQQAT-AZCLRUCKSA-N 2 1 298.474 3.349 20 0 CGADMP C[NH+](C[C@@H]1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513145484 245067209 /nfs/dbraw/zinc/06/72/09/245067209.db2.gz UMGCOZVGMDQQAT-AZCLRUCKSA-N 2 1 298.474 3.349 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842843 370628811 /nfs/dbraw/zinc/62/88/11/370628811.db2.gz SELDAJNTYLFITC-CQSZACIVSA-N 2 1 266.816 3.114 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842843 370628817 /nfs/dbraw/zinc/62/88/17/370628817.db2.gz SELDAJNTYLFITC-CQSZACIVSA-N 2 1 266.816 3.114 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842843 370628823 /nfs/dbraw/zinc/62/88/23/370628823.db2.gz SELDAJNTYLFITC-CQSZACIVSA-N 2 1 266.816 3.114 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130244291 371020197 /nfs/dbraw/zinc/02/01/97/371020197.db2.gz YZQXFYMBVUQJGO-USXIJHARSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130238442 371020540 /nfs/dbraw/zinc/02/05/40/371020540.db2.gz DQWRVVRFPBPFRF-BHYGNILZSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000131914194 371139363 /nfs/dbraw/zinc/13/93/63/371139363.db2.gz MIHFQFWZRVYKMX-SJORKVTESA-N 2 1 252.361 3.229 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000136196546 371466167 /nfs/dbraw/zinc/46/61/67/371466167.db2.gz ILHJWZPJORUCOI-INIZCTEOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000136196546 371466179 /nfs/dbraw/zinc/46/61/79/371466179.db2.gz ILHJWZPJORUCOI-INIZCTEOSA-N 2 1 290.451 3.249 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150128117 371532865 /nfs/dbraw/zinc/53/28/65/371532865.db2.gz KHVMLFBSYIYPHJ-ZDUSSCGKSA-N 2 1 268.351 3.056 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC000151126441 371571770 /nfs/dbraw/zinc/57/17/70/371571770.db2.gz BAEDUZSEQOJLHP-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CC1 ZINC000151168095 371578018 /nfs/dbraw/zinc/57/80/18/371578018.db2.gz NELVCXYXRSDSGY-JKSUJKDBSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CC1 ZINC000151168095 371578025 /nfs/dbraw/zinc/57/80/25/371578025.db2.gz NELVCXYXRSDSGY-JKSUJKDBSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC12CCCC2)C(C)C ZINC000353293975 220013037 /nfs/dbraw/zinc/01/30/37/220013037.db2.gz SUXBTFOEXYLODV-OAHLLOKOSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(C)c1 ZINC000287484705 371661904 /nfs/dbraw/zinc/66/19/04/371661904.db2.gz MZSBHJDNAYYPNK-NVXWUHKLSA-N 2 1 283.419 3.495 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC[N@@H+]1C ZINC000337341986 214019800 /nfs/dbraw/zinc/01/98/00/214019800.db2.gz QYCWVGRGJONYRD-XYVMCAHJSA-N 2 1 287.451 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC[N@H+]1C ZINC000337341986 214019802 /nfs/dbraw/zinc/01/98/02/214019802.db2.gz QYCWVGRGJONYRD-XYVMCAHJSA-N 2 1 287.451 3.180 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(C2CC2)c1)C1CCCC1 ZINC000422550458 371747130 /nfs/dbraw/zinc/74/71/30/371747130.db2.gz BDNNYGYTBIZVAC-KRWDZBQOSA-N 2 1 258.409 3.171 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(C(C)(C)C)s2)C[C@@H]1C[NH3+] ZINC000422562067 371749059 /nfs/dbraw/zinc/74/90/59/371749059.db2.gz PDZQPUGHNXMHAG-UPJWGTAASA-N 2 1 295.496 3.246 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(C(C)(C)C)s2)C[C@@H]1C[NH3+] ZINC000422562067 371749063 /nfs/dbraw/zinc/74/90/63/371749063.db2.gz PDZQPUGHNXMHAG-UPJWGTAASA-N 2 1 295.496 3.246 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289570490 371763932 /nfs/dbraw/zinc/76/39/32/371763932.db2.gz DGODOOOSDMAZGS-ZIAGYGMSSA-N 2 1 271.408 3.226 20 0 CGADMP CC(C)OC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000337327318 214008225 /nfs/dbraw/zinc/00/82/25/214008225.db2.gz DCYGOOGCSWWKQR-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422831387 371833310 /nfs/dbraw/zinc/83/33/10/371833310.db2.gz SOKRNBYUDBJEKA-DLBZAZTESA-N 2 1 276.424 3.223 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)c2ccccc21 ZINC000422772469 371797495 /nfs/dbraw/zinc/79/74/95/371797495.db2.gz ZBOLEKPOLDTUHX-QZTJIDSGSA-N 2 1 288.435 3.460 20 0 CGADMP COc1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)c1 ZINC000422784958 371806948 /nfs/dbraw/zinc/80/69/48/371806948.db2.gz JDDVSNJFMBVSTK-MOPGFXCFSA-N 2 1 296.414 3.332 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422865375 371844559 /nfs/dbraw/zinc/84/45/59/371844559.db2.gz YAZSDDRWTHQHJB-AWEZNQCLSA-N 2 1 283.419 3.431 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000422888959 371855822 /nfs/dbraw/zinc/85/58/22/371855822.db2.gz FAXBQYFAGWFIIU-BBRMVZONSA-N 2 1 274.433 3.105 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1C ZINC000422923760 371873228 /nfs/dbraw/zinc/87/32/28/371873228.db2.gz XABLCTZUGHKRHQ-GJZGRUSLSA-N 2 1 299.418 3.311 20 0 CGADMP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000422925421 371874235 /nfs/dbraw/zinc/87/42/35/371874235.db2.gz VCXZYYAWEKNRRQ-MOPGFXCFSA-N 2 1 296.414 3.332 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422847654 371837987 /nfs/dbraw/zinc/83/79/87/371837987.db2.gz IPPSEKRLNGZHMY-QZTJIDSGSA-N 2 1 288.435 3.368 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000290119295 371909582 /nfs/dbraw/zinc/90/95/82/371909582.db2.gz JGIPDIHXITYZGN-LALPHHSUSA-N 2 1 259.397 3.100 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000290119295 371909587 /nfs/dbraw/zinc/90/95/87/371909587.db2.gz JGIPDIHXITYZGN-LALPHHSUSA-N 2 1 259.397 3.100 20 0 CGADMP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423006012 371911986 /nfs/dbraw/zinc/91/19/86/371911986.db2.gz UBNGRMRHEGQDFN-SWLSCSKDSA-N 2 1 296.842 3.216 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000423023230 371920417 /nfs/dbraw/zinc/92/04/17/371920417.db2.gz HAXRJWOCOGKHGB-QWRGUYRKSA-N 2 1 268.351 3.059 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2ccccn2)c1 ZINC000423026637 371922299 /nfs/dbraw/zinc/92/22/99/371922299.db2.gz QKJXPWMZAAHVBS-DAYGRLMNSA-N 2 1 283.419 3.195 20 0 CGADMP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000155373531 371924794 /nfs/dbraw/zinc/92/47/94/371924794.db2.gz JIBCNKPSZQYEKW-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000155373531 371924802 /nfs/dbraw/zinc/92/48/02/371924802.db2.gz JIBCNKPSZQYEKW-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000155373531 371924811 /nfs/dbraw/zinc/92/48/11/371924811.db2.gz JIBCNKPSZQYEKW-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000155373531 371924817 /nfs/dbraw/zinc/92/48/17/371924817.db2.gz JIBCNKPSZQYEKW-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290342330 371967756 /nfs/dbraw/zinc/96/77/56/371967756.db2.gz FMBJLYPOAMQSKK-RDJZCZTQSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290342330 371967761 /nfs/dbraw/zinc/96/77/61/371967761.db2.gz FMBJLYPOAMQSKK-RDJZCZTQSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290342330 371967771 /nfs/dbraw/zinc/96/77/71/371967771.db2.gz FMBJLYPOAMQSKK-RDJZCZTQSA-N 2 1 290.476 3.325 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000423171818 372001594 /nfs/dbraw/zinc/00/15/94/372001594.db2.gz QBZGZOQPNDNWHL-KDOFPFPSSA-N 2 1 268.404 3.378 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2sccc2Cl)C1 ZINC000290364863 371971786 /nfs/dbraw/zinc/97/17/86/371971786.db2.gz HDDFOXNELMYVJA-DGCLKSJQSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2sccc2Cl)C1 ZINC000290364863 371971797 /nfs/dbraw/zinc/97/17/97/371971797.db2.gz HDDFOXNELMYVJA-DGCLKSJQSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2sccc2Cl)C1 ZINC000290364863 371971807 /nfs/dbraw/zinc/97/18/07/371971807.db2.gz HDDFOXNELMYVJA-DGCLKSJQSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2sccc2Cl)C1 ZINC000290364863 371971813 /nfs/dbraw/zinc/97/18/13/371971813.db2.gz HDDFOXNELMYVJA-DGCLKSJQSA-N 2 1 284.856 3.318 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2occc2c1 ZINC000290414527 371985018 /nfs/dbraw/zinc/98/50/18/371985018.db2.gz KHTDDPTVAMUZDW-UHFFFAOYSA-N 2 1 283.375 3.460 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2occc2c1 ZINC000290414527 371985031 /nfs/dbraw/zinc/98/50/31/371985031.db2.gz KHTDDPTVAMUZDW-UHFFFAOYSA-N 2 1 283.375 3.460 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000423162296 371995731 /nfs/dbraw/zinc/99/57/31/371995731.db2.gz OZWCGYTZHLYNBW-VNQPRFMTSA-N 2 1 278.827 3.318 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)CC(F)(F)F ZINC000423191075 372016960 /nfs/dbraw/zinc/01/69/60/372016960.db2.gz SKQGLXOGODTKGF-UWVGGRQHSA-N 2 1 275.318 3.123 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccn1 ZINC000423191653 372017697 /nfs/dbraw/zinc/01/76/97/372017697.db2.gz TXMAEYHJDKEJHN-QGZVFWFLSA-N 2 1 298.434 3.087 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C(C)(C)C ZINC000423193116 372018695 /nfs/dbraw/zinc/01/86/95/372018695.db2.gz WOHCIAIFFCHCLR-MRXNPFEDSA-N 2 1 277.456 3.366 20 0 CGADMP CC(C)[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccnc1 ZINC000423204018 372026510 /nfs/dbraw/zinc/02/65/10/372026510.db2.gz TVPSTUDAAYDXND-INIZCTEOSA-N 2 1 275.440 3.420 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)C1CC1 ZINC000423311583 372049550 /nfs/dbraw/zinc/04/95/50/372049550.db2.gz CBIMUFKJRNJYHN-CVEARBPZSA-N 2 1 278.827 3.434 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000423329640 372051928 /nfs/dbraw/zinc/05/19/28/372051928.db2.gz TVNFXZOTCDJEAL-STQMWFEESA-N 2 1 282.840 3.204 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccccn1 ZINC000158107533 372053884 /nfs/dbraw/zinc/05/38/84/372053884.db2.gz XVERGWHDZGBBJM-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000158107533 372053888 /nfs/dbraw/zinc/05/38/88/372053888.db2.gz XVERGWHDZGBBJM-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000158107533 372053893 /nfs/dbraw/zinc/05/38/93/372053893.db2.gz XVERGWHDZGBBJM-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cnn1C(C)(C)C ZINC000423175353 372003807 /nfs/dbraw/zinc/00/38/07/372003807.db2.gz DSRUGKFHOULQHW-ZDUSSCGKSA-N 2 1 292.471 3.259 20 0 CGADMP COc1ncc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1Cl ZINC000423178122 372007607 /nfs/dbraw/zinc/00/76/07/372007607.db2.gz KEZMAMKFPBYPOP-LLVKDONJSA-N 2 1 297.830 3.056 20 0 CGADMP CCC[C@@H]([NH2+]CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423181846 372011088 /nfs/dbraw/zinc/01/10/88/372011088.db2.gz JSEJLYODHRGQSD-GFCCVEGCSA-N 2 1 260.303 3.095 20 0 CGADMP CCc1ccc([C@H](CC)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423415886 372062744 /nfs/dbraw/zinc/06/27/44/372062744.db2.gz FDTQMOIRNJNVFB-ROUUACIJSA-N 2 1 290.451 3.058 20 0 CGADMP CCC[C@H](NC[C@H]1CC[N@@H+](CCC)C1)c1ccccn1 ZINC000158770204 372085232 /nfs/dbraw/zinc/08/52/32/372085232.db2.gz OKVWHZBEXXHEOS-CVEARBPZSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1ccccn1 ZINC000158770204 372085241 /nfs/dbraw/zinc/08/52/41/372085241.db2.gz OKVWHZBEXXHEOS-CVEARBPZSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ccccn1 ZINC000158770204 372085248 /nfs/dbraw/zinc/08/52/48/372085248.db2.gz OKVWHZBEXXHEOS-CVEARBPZSA-N 2 1 275.440 3.244 20 0 CGADMP CC(C)[NH2+]C1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291162326 372130493 /nfs/dbraw/zinc/13/04/93/372130493.db2.gz MFRIBDMTNCAQII-SJORKVTESA-N 2 1 258.409 3.005 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292788487 372211170 /nfs/dbraw/zinc/21/11/70/372211170.db2.gz MEYBECYZGOOQHH-FXFXYLOPSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017177 372305848 /nfs/dbraw/zinc/30/58/48/372305848.db2.gz DTLAWBRJOGWURC-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017177 372305853 /nfs/dbraw/zinc/30/58/53/372305853.db2.gz DTLAWBRJOGWURC-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017177 372305856 /nfs/dbraw/zinc/30/58/56/372305856.db2.gz DTLAWBRJOGWURC-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000161558173 372334900 /nfs/dbraw/zinc/33/49/00/372334900.db2.gz HXDXWGDKGCKRCS-UHFFFAOYSA-N 2 1 291.483 3.497 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000429296217 372346646 /nfs/dbraw/zinc/34/66/46/372346646.db2.gz RKYJVRRFWONWBT-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)c1 ZINC000429296217 372346656 /nfs/dbraw/zinc/34/66/56/372346656.db2.gz RKYJVRRFWONWBT-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)CC[C@H]2CCC[N@H+]2C)c1 ZINC000429296217 372346664 /nfs/dbraw/zinc/34/66/64/372346664.db2.gz RKYJVRRFWONWBT-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000430143633 372385790 /nfs/dbraw/zinc/38/57/90/372385790.db2.gz CJRGLOGKFOHWQB-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1sccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000293464323 372388504 /nfs/dbraw/zinc/38/85/04/372388504.db2.gz DLQHWJZCWRKQLC-UHFFFAOYSA-N 2 1 264.438 3.163 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000162530641 372399962 /nfs/dbraw/zinc/39/99/62/372399962.db2.gz HOIYBGAIPMCQBN-UHFFFAOYSA-N 2 1 290.304 3.028 20 0 CGADMP C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430946793 372408750 /nfs/dbraw/zinc/40/87/50/372408750.db2.gz XZWDKFNGBUBYJL-RISCZKNCSA-N 2 1 284.856 3.101 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000293778900 372479209 /nfs/dbraw/zinc/47/92/09/372479209.db2.gz SSXCQMKPBNBIBT-FJIDUMEYSA-N 2 1 270.420 3.007 20 0 CGADMP COc1ccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000162883020 372430871 /nfs/dbraw/zinc/43/08/71/372430871.db2.gz RGKMYXPNHUCTBC-KRWDZBQOSA-N 2 1 299.418 3.080 20 0 CGADMP COc1ccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000162883020 372430878 /nfs/dbraw/zinc/43/08/78/372430878.db2.gz RGKMYXPNHUCTBC-KRWDZBQOSA-N 2 1 299.418 3.080 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000163233704 372455108 /nfs/dbraw/zinc/45/51/08/372455108.db2.gz JTVWMZZQXRSGSX-NWDGAFQWSA-N 2 1 260.406 3.070 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163377314 372465530 /nfs/dbraw/zinc/46/55/30/372465530.db2.gz UZDUXDFPOXITLT-YPMHNXCESA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163377314 372465533 /nfs/dbraw/zinc/46/55/33/372465533.db2.gz UZDUXDFPOXITLT-YPMHNXCESA-N 2 1 286.341 3.122 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000163663434 372485803 /nfs/dbraw/zinc/48/58/03/372485803.db2.gz KVLPELMVAUEWIR-ZDUSSCGKSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000163663434 372485805 /nfs/dbraw/zinc/48/58/05/372485805.db2.gz KVLPELMVAUEWIR-ZDUSSCGKSA-N 2 1 284.806 3.299 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000163878233 372497284 /nfs/dbraw/zinc/49/72/84/372497284.db2.gz ZNOXACOQNMDSAK-CQSZACIVSA-N 2 1 281.419 3.383 20 0 CGADMP CC[C@H](CSC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000164091500 372508811 /nfs/dbraw/zinc/50/88/11/372508811.db2.gz RMOYGJCBFGECFZ-MRXNPFEDSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1csc(Cl)c1)C[NH+](C)C ZINC000293893742 372514785 /nfs/dbraw/zinc/51/47/85/372514785.db2.gz ZHEKTPWJPSVENC-ZJUUUORDSA-N 2 1 260.834 3.250 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000164627503 372526708 /nfs/dbraw/zinc/52/67/08/372526708.db2.gz PJCIFORNSURJFU-KDOFPFPSSA-N 2 1 283.419 3.495 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCC(C)(C)C2)CCCO1 ZINC000432345705 372562809 /nfs/dbraw/zinc/56/28/09/372562809.db2.gz ISGLHQVAOKYRDV-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC(C)(C)C2)CCCO1 ZINC000432345705 372562815 /nfs/dbraw/zinc/56/28/15/372562815.db2.gz ISGLHQVAOKYRDV-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166171465 372565532 /nfs/dbraw/zinc/56/55/32/372565532.db2.gz YTPUBQAASJMVKE-GFCCVEGCSA-N 2 1 266.454 3.087 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166171465 372565536 /nfs/dbraw/zinc/56/55/36/372565536.db2.gz YTPUBQAASJMVKE-GFCCVEGCSA-N 2 1 266.454 3.087 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000166211364 372566002 /nfs/dbraw/zinc/56/60/02/372566002.db2.gz IGIOJJDBFZJUHI-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432438795 372567208 /nfs/dbraw/zinc/56/72/08/372567208.db2.gz CMDNZZKBOLTMCR-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432366667 372567444 /nfs/dbraw/zinc/56/74/44/372567444.db2.gz GHEWFIHPOGBCQE-BZSNNMDCSA-N 2 1 294.483 3.069 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(F)c1 ZINC000166514728 372577281 /nfs/dbraw/zinc/57/72/81/372577281.db2.gz VSBSLRVLCNRHGN-CZUORRHYSA-N 2 1 264.388 3.208 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000167107790 372590523 /nfs/dbraw/zinc/59/05/23/372590523.db2.gz YIFWDZLWPLEGIL-WBMJQRKESA-N 2 1 296.455 3.261 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000167107790 372590531 /nfs/dbraw/zinc/59/05/31/372590531.db2.gz YIFWDZLWPLEGIL-WBMJQRKESA-N 2 1 296.455 3.261 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434668960 372700660 /nfs/dbraw/zinc/70/06/60/372700660.db2.gz FDOFOKOEIYSRRJ-CQSZACIVSA-N 2 1 275.440 3.445 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000294661639 372663800 /nfs/dbraw/zinc/66/38/00/372663800.db2.gz AKIREPPIYHBKPT-KRWDZBQOSA-N 2 1 294.389 3.416 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000434778518 372709476 /nfs/dbraw/zinc/70/94/76/372709476.db2.gz ROFDGQRPVDKOKU-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435389366 372755784 /nfs/dbraw/zinc/75/57/84/372755784.db2.gz KMJBFZDZDUKFRY-CGQZWFTASA-N 2 1 258.409 3.164 20 0 CGADMP CC[N@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435390425 372757542 /nfs/dbraw/zinc/75/75/42/372757542.db2.gz PFFCLOJWUFZOHD-CQSZACIVSA-N 2 1 293.480 3.375 20 0 CGADMP CC[N@@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435390425 372757552 /nfs/dbraw/zinc/75/75/52/372757552.db2.gz PFFCLOJWUFZOHD-CQSZACIVSA-N 2 1 293.480 3.375 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435432489 372762241 /nfs/dbraw/zinc/76/22/41/372762241.db2.gz NKVCVGILAMJPJD-NHZBNJEXSA-N 2 1 280.362 3.052 20 0 CGADMP CCC(CC)C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435428054 372763204 /nfs/dbraw/zinc/76/32/04/372763204.db2.gz PADYGJMCIOFQSB-OAHLLOKOSA-N 2 1 295.496 3.299 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccsc2C)CC1 ZINC000295455963 372788500 /nfs/dbraw/zinc/78/85/00/372788500.db2.gz VPPFRMQYQCYWLJ-UHFFFAOYSA-N 2 1 266.454 3.363 20 0 CGADMP CC(C)(C)OCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171502529 372774052 /nfs/dbraw/zinc/77/40/52/372774052.db2.gz GRRJLCLGMHGJTG-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP C[NH2+]CCC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000435883304 372824037 /nfs/dbraw/zinc/82/40/37/372824037.db2.gz YINKQXLVCXNEJW-IBGZPJMESA-N 2 1 280.415 3.244 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccsc2C)C1 ZINC000295481840 372797882 /nfs/dbraw/zinc/79/78/82/372797882.db2.gz XEROMBKZGJBMJF-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccsc2C)C1 ZINC000295481840 372797886 /nfs/dbraw/zinc/79/78/86/372797886.db2.gz XEROMBKZGJBMJF-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccsc2C)C1 ZINC000295481840 372797902 /nfs/dbraw/zinc/79/79/02/372797902.db2.gz XEROMBKZGJBMJF-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccsc2C)C1 ZINC000295481840 372797907 /nfs/dbraw/zinc/79/79/07/372797907.db2.gz XEROMBKZGJBMJF-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCCc2ccc(C)nc2)CC1 ZINC000353445178 220087898 /nfs/dbraw/zinc/08/78/98/220087898.db2.gz CJZUDCIXGSOGQH-UHFFFAOYSA-N 2 1 289.467 3.129 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2)CC1 ZINC000171940329 372859661 /nfs/dbraw/zinc/85/96/61/372859661.db2.gz JUJFVROXFJYHGJ-UHFFFAOYSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)cn1 ZINC000296355513 373102415 /nfs/dbraw/zinc/10/24/15/373102415.db2.gz JGGGROUVXUIVTA-GRDNDAEWSA-N 2 1 298.434 3.490 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000353564901 220159863 /nfs/dbraw/zinc/15/98/63/220159863.db2.gz PNEXGPMXOJBYIN-HUUCEWRRSA-N 2 1 278.440 3.033 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000353564901 220159864 /nfs/dbraw/zinc/15/98/64/220159864.db2.gz PNEXGPMXOJBYIN-HUUCEWRRSA-N 2 1 278.440 3.033 20 0 CGADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)o2)cc1 ZINC000443060378 373146149 /nfs/dbraw/zinc/14/61/49/373146149.db2.gz OYYXVZXRBSFBLS-HNNXBMFYSA-N 2 1 299.418 3.211 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC000296557794 373176499 /nfs/dbraw/zinc/17/64/99/373176499.db2.gz UCJWONDRFKATTP-ZFWWWQNUSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC000296557781 373176577 /nfs/dbraw/zinc/17/65/77/373176577.db2.gz UCJWONDRFKATTP-DZGCQCFKSA-N 2 1 296.480 3.208 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[N@H+]1C ZINC000297195824 373260799 /nfs/dbraw/zinc/26/07/99/373260799.db2.gz FRZMEGDAQSANGC-PLQHRBFRSA-N 2 1 294.389 3.415 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000174350772 373297180 /nfs/dbraw/zinc/29/71/80/373297180.db2.gz WODFVNPSQNEGMY-VNQPRFMTSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000445312475 373307948 /nfs/dbraw/zinc/30/79/48/373307948.db2.gz CHWPNGHDISVFIS-GJZGRUSLSA-N 2 1 272.436 3.120 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cccc(Cl)c3)CC[C@H]21 ZINC000297776932 373281347 /nfs/dbraw/zinc/28/13/47/373281347.db2.gz MKPNWAJIOZOTJP-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cccc(Cl)c3)CC[C@H]21 ZINC000297776932 373281359 /nfs/dbraw/zinc/28/13/59/373281359.db2.gz MKPNWAJIOZOTJP-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cccc(Cl)c3)CC[C@H]21 ZINC000297776932 373281371 /nfs/dbraw/zinc/28/13/71/373281371.db2.gz MKPNWAJIOZOTJP-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000174628319 373346255 /nfs/dbraw/zinc/34/62/55/373346255.db2.gz SGFNWHFWGFJJGS-IUODEOHRSA-N 2 1 266.816 3.160 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000174961666 373387673 /nfs/dbraw/zinc/38/76/73/373387673.db2.gz SKKUDXCBBLHCFC-INIZCTEOSA-N 2 1 292.492 3.442 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000174961666 373387682 /nfs/dbraw/zinc/38/76/82/373387682.db2.gz SKKUDXCBBLHCFC-INIZCTEOSA-N 2 1 292.492 3.442 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000174961666 373387690 /nfs/dbraw/zinc/38/76/90/373387690.db2.gz SKKUDXCBBLHCFC-INIZCTEOSA-N 2 1 292.492 3.442 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000174961666 373387704 /nfs/dbraw/zinc/38/77/04/373387704.db2.gz SKKUDXCBBLHCFC-INIZCTEOSA-N 2 1 292.492 3.442 20 0 CGADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1C ZINC000447851250 373508284 /nfs/dbraw/zinc/50/82/84/373508284.db2.gz ZBYKSFKTOSRDBD-MRXNPFEDSA-N 2 1 290.451 3.358 20 0 CGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1C ZINC000447851250 373508288 /nfs/dbraw/zinc/50/82/88/373508288.db2.gz ZBYKSFKTOSRDBD-MRXNPFEDSA-N 2 1 290.451 3.358 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000300410031 373627378 /nfs/dbraw/zinc/62/73/78/373627378.db2.gz DGPDFUPFVRYFGW-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000300410031 373627380 /nfs/dbraw/zinc/62/73/80/373627380.db2.gz DGPDFUPFVRYFGW-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449433768 373711664 /nfs/dbraw/zinc/71/16/64/373711664.db2.gz NSVOPSLIGKTHSU-OLZOCXBDSA-N 2 1 281.469 3.121 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449088705 373660431 /nfs/dbraw/zinc/66/04/31/373660431.db2.gz BUQGBRLYNBOXNY-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CCCC(CCC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000177296018 373673099 /nfs/dbraw/zinc/67/30/99/373673099.db2.gz USVAGETVYGABEP-ZDUSSCGKSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000301199378 373690256 /nfs/dbraw/zinc/69/02/56/373690256.db2.gz OUSPWBVIDMJRPA-SFHVURJKSA-N 2 1 295.430 3.367 20 0 CGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000301199378 373690263 /nfs/dbraw/zinc/69/02/63/373690263.db2.gz OUSPWBVIDMJRPA-SFHVURJKSA-N 2 1 295.430 3.367 20 0 CGADMP CC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177889964 373721958 /nfs/dbraw/zinc/72/19/58/373721958.db2.gz WDWGAADLDIICLP-HRCADAONSA-N 2 1 290.451 3.184 20 0 CGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccoc1 ZINC000178401020 373774791 /nfs/dbraw/zinc/77/47/91/373774791.db2.gz GCUOLXRBLALTBS-GXTWGEPZSA-N 2 1 252.402 3.297 20 0 CGADMP CC/C=C\C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449453772 373737874 /nfs/dbraw/zinc/73/78/74/373737874.db2.gz ILJLURZHODRGBI-ARJAWSKDSA-N 2 1 290.426 3.388 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCCO2 ZINC000178412370 373774974 /nfs/dbraw/zinc/77/49/74/373774974.db2.gz OVEMGWRFGFAXNB-MRXNPFEDSA-N 2 1 292.398 3.115 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccoc1 ZINC000178099177 373743543 /nfs/dbraw/zinc/74/35/43/373743543.db2.gz YGCYMBLFNNMFDW-GJZGRUSLSA-N 2 1 264.413 3.442 20 0 CGADMP COCCC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178111619 373745012 /nfs/dbraw/zinc/74/50/12/373745012.db2.gz SJPYXUWPIPJVDX-BBWFWOEESA-N 2 1 284.488 3.149 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000070325702 541891598 /nfs/dbraw/zinc/89/15/98/541891598.db2.gz CQYUPSBGHKXYAL-MSOLQXFVSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1ccc(CNc2cc[nH+]c(C)c2)c(N2CCCC2)[nH+]1 ZINC000302418526 373865480 /nfs/dbraw/zinc/86/54/80/373865480.db2.gz JBZJMMNUEMRXLP-UHFFFAOYSA-N 2 1 282.391 3.306 20 0 CGADMP Cc1cc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc[nH+]1 ZINC000302780275 373959836 /nfs/dbraw/zinc/95/98/36/373959836.db2.gz ILKAIJWTRHHEFH-HNNXBMFYSA-N 2 1 299.393 3.412 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(CC)CC ZINC000181480956 374130318 /nfs/dbraw/zinc/13/03/18/374130318.db2.gz VNUGTSBDKWJZCT-USXIJHARSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000309760969 374197629 /nfs/dbraw/zinc/19/76/29/374197629.db2.gz DOVMVQKIVJGUFE-RVKKMQEKSA-N 2 1 272.436 3.285 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000309893778 374201873 /nfs/dbraw/zinc/20/18/73/374201873.db2.gz FPZQVEGWYKXPFI-RYQLBKOJSA-N 2 1 270.420 3.039 20 0 CGADMP c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000310000718 374206035 /nfs/dbraw/zinc/20/60/35/374206035.db2.gz DVGVKIDDPPYFCF-LJQANCHMSA-N 2 1 297.446 3.407 20 0 CGADMP c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000310000717 374206611 /nfs/dbraw/zinc/20/66/11/374206611.db2.gz DVGVKIDDPPYFCF-IBGZPJMESA-N 2 1 297.446 3.407 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000311109327 374233087 /nfs/dbraw/zinc/23/30/87/374233087.db2.gz WCTVDQAEYCBKOV-SSHXOBKSSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@H](CC)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000311044909 374230792 /nfs/dbraw/zinc/23/07/92/374230792.db2.gz VTBHBOPTSFSDNM-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000312512059 374281489 /nfs/dbraw/zinc/28/14/89/374281489.db2.gz JUNJFQHKGIIWLQ-BBWFWOEESA-N 2 1 272.436 3.214 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000453286664 374391635 /nfs/dbraw/zinc/39/16/35/374391635.db2.gz KAXRVENLUQXKJB-RLFYNMQTSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000453286664 374391644 /nfs/dbraw/zinc/39/16/44/374391644.db2.gz KAXRVENLUQXKJB-RLFYNMQTSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H](C)[C@@H]1C ZINC000183138565 374378231 /nfs/dbraw/zinc/37/82/31/374378231.db2.gz ZHOJMPPBVXDSDN-HOSILWTGSA-N 2 1 263.429 3.242 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)[C@H](C)C1 ZINC000453330212 374424451 /nfs/dbraw/zinc/42/44/51/374424451.db2.gz AWLLDGZVGBXDQI-VSZNYVQBSA-N 2 1 296.499 3.005 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2occc21)C1CC1 ZINC000453390717 374472909 /nfs/dbraw/zinc/47/29/09/374472909.db2.gz DGGLMZXSPDGQQO-HNNXBMFYSA-N 2 1 262.397 3.121 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000090798180 541964243 /nfs/dbraw/zinc/96/42/43/541964243.db2.gz QGQNSTOHVZFKJU-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccncc1 ZINC000185159256 374599970 /nfs/dbraw/zinc/59/99/70/374599970.db2.gz WCFJBRAKLQXNDD-UHFFFAOYSA-N 2 1 275.440 3.216 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000186152463 374804987 /nfs/dbraw/zinc/80/49/87/374804987.db2.gz HTCHVYQMSRKVRS-RYUDHWBXSA-N 2 1 293.436 3.249 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC1CC[NH2+]CC1 ZINC000094010871 541984779 /nfs/dbraw/zinc/98/47/79/541984779.db2.gz FRQYLWMPJHSIQM-UHFFFAOYSA-N 2 1 286.341 3.137 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000186884755 374933556 /nfs/dbraw/zinc/93/35/56/374933556.db2.gz OCFISPGJBGHPCY-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc2cccnc12 ZINC000335149092 375176438 /nfs/dbraw/zinc/17/64/38/375176438.db2.gz BIYFWKPSKKRDSN-CRAIPNDOSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc2cccnc12 ZINC000335149092 375176442 /nfs/dbraw/zinc/17/64/42/375176442.db2.gz BIYFWKPSKKRDSN-CRAIPNDOSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc2cccnc12 ZINC000335149092 375176446 /nfs/dbraw/zinc/17/64/46/375176446.db2.gz BIYFWKPSKKRDSN-CRAIPNDOSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc2cccnc12 ZINC000335149092 375176448 /nfs/dbraw/zinc/17/64/48/375176448.db2.gz BIYFWKPSKKRDSN-CRAIPNDOSA-N 2 1 297.446 3.315 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000474487444 375115336 /nfs/dbraw/zinc/11/53/36/375115336.db2.gz VLLUBPNUVAIKRF-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000474487442 375115378 /nfs/dbraw/zinc/11/53/78/375115378.db2.gz VLLUBPNUVAIKRF-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC(C(C)C)C1 ZINC000488424495 375308196 /nfs/dbraw/zinc/30/81/96/375308196.db2.gz RYSARLUXTRQKHU-UYSNPLJNSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC(C(C)C)C1 ZINC000488424495 375308207 /nfs/dbraw/zinc/30/82/07/375308207.db2.gz RYSARLUXTRQKHU-UYSNPLJNSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000189069835 375318044 /nfs/dbraw/zinc/31/80/44/375318044.db2.gz FNFTVTDFGIBAIV-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000189069835 375318057 /nfs/dbraw/zinc/31/80/57/375318057.db2.gz FNFTVTDFGIBAIV-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000189069835 375318060 /nfs/dbraw/zinc/31/80/60/375318060.db2.gz FNFTVTDFGIBAIV-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000335688704 375346908 /nfs/dbraw/zinc/34/69/08/375346908.db2.gz HBRKEJWHIHGRMR-NWDGAFQWSA-N 2 1 289.810 3.057 20 0 CGADMP CCc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000189257965 375350153 /nfs/dbraw/zinc/35/01/53/375350153.db2.gz LLNPONHFOBZSLA-UHFFFAOYSA-N 2 1 271.408 3.276 20 0 CGADMP CCc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000189257965 375350164 /nfs/dbraw/zinc/35/01/64/375350164.db2.gz LLNPONHFOBZSLA-UHFFFAOYSA-N 2 1 271.408 3.276 20 0 CGADMP C[N@H+]1CC[C@@]2(CCN(C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699106 375356020 /nfs/dbraw/zinc/35/60/20/375356020.db2.gz AJKRPFPJWMFNIX-RCAFFNEUSA-N 2 1 292.373 3.006 20 0 CGADMP CC(C)OC1CC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000189567921 375413508 /nfs/dbraw/zinc/41/35/08/375413508.db2.gz IKABMNMGDYRSCD-RSIVFMTNSA-N 2 1 294.483 3.185 20 0 CGADMP C[NH+]1CCC([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000335792185 375434294 /nfs/dbraw/zinc/43/42/94/375434294.db2.gz COBSFTZWRLQFPY-UHFFFAOYSA-N 2 1 296.817 3.351 20 0 CGADMP Fc1ccc(C2(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000335960527 375572758 /nfs/dbraw/zinc/57/27/58/375572758.db2.gz MKOVZPGIWUWYEG-JKSUJKDBSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000335960527 375572761 /nfs/dbraw/zinc/57/27/61/375572761.db2.gz MKOVZPGIWUWYEG-JKSUJKDBSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000335960527 375572764 /nfs/dbraw/zinc/57/27/64/375572764.db2.gz MKOVZPGIWUWYEG-JKSUJKDBSA-N 2 1 274.383 3.031 20 0 CGADMP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507523275 375712398 /nfs/dbraw/zinc/71/23/98/375712398.db2.gz IJHHARMBTRZRJT-MWDXBVQZSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000192737754 375784043 /nfs/dbraw/zinc/78/40/43/375784043.db2.gz UJEFDLNCGXEQLX-HNNXBMFYSA-N 2 1 299.393 3.412 20 0 CGADMP FC1(F)CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336252940 375764548 /nfs/dbraw/zinc/76/45/48/375764548.db2.gz DEPDNIOEKBWBQZ-UONOGXRCSA-N 2 1 272.383 3.028 20 0 CGADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933171 375805303 /nfs/dbraw/zinc/80/53/03/375805303.db2.gz VSQBGNPIYRXOAW-QAPCUYQASA-N 2 1 272.436 3.287 20 0 CGADMP CCC(CC)(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193020491 375815495 /nfs/dbraw/zinc/81/54/95/375815495.db2.gz JHTONQHGCOZHJM-GOOCMWNKSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000336537591 375815880 /nfs/dbraw/zinc/81/58/80/375815880.db2.gz YSFJZWBUECGKRU-UHFFFAOYSA-N 2 1 293.480 3.327 20 0 CGADMP CCC[N@H+]1CC[C@H](CNCc2cc(Cl)cs2)C1 ZINC000193036418 375818592 /nfs/dbraw/zinc/81/85/92/375818592.db2.gz QYGVCZRMPBYBMH-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193036418 375818598 /nfs/dbraw/zinc/81/85/98/375818598.db2.gz QYGVCZRMPBYBMH-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193036418 375818604 /nfs/dbraw/zinc/81/86/04/375818604.db2.gz QYGVCZRMPBYBMH-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000510698954 375788154 /nfs/dbraw/zinc/78/81/54/375788154.db2.gz ANHNYXKMLSDCTR-PMPSAXMXSA-N 2 1 270.436 3.226 20 0 CGADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000193456851 375879825 /nfs/dbraw/zinc/87/98/25/375879825.db2.gz QAPAMSJDOXDBEA-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000193456851 375879829 /nfs/dbraw/zinc/87/98/29/375879829.db2.gz QAPAMSJDOXDBEA-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000193667040 375906258 /nfs/dbraw/zinc/90/62/58/375906258.db2.gz MTYDTVVPXLGIIC-HOTGVXAUSA-N 2 1 296.842 3.101 20 0 CGADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000193667040 375906265 /nfs/dbraw/zinc/90/62/65/375906265.db2.gz MTYDTVVPXLGIIC-HOTGVXAUSA-N 2 1 296.842 3.101 20 0 CGADMP CC(C)n1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000534347162 375981229 /nfs/dbraw/zinc/98/12/29/375981229.db2.gz MOFKAZDKIRNFGC-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP C[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)C[NH+](C)C ZINC000336816695 375969971 /nfs/dbraw/zinc/96/99/71/375969971.db2.gz NAFMCDMHZZUTEZ-NSHDSACASA-N 2 1 277.799 3.498 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131502881 296237758 /nfs/dbraw/zinc/23/77/58/296237758.db2.gz LLGGTDZRHJCMAN-WOPDTQHZSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131502881 296237759 /nfs/dbraw/zinc/23/77/59/296237759.db2.gz LLGGTDZRHJCMAN-WOPDTQHZSA-N 2 1 297.240 3.179 20 0 CGADMP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336797374 375945324 /nfs/dbraw/zinc/94/53/24/375945324.db2.gz ZQSMOVOURQWKFU-MJBXVCDLSA-N 2 1 272.383 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000336831353 375992505 /nfs/dbraw/zinc/99/25/05/375992505.db2.gz CYCQQBUZVALPKN-LLDVTBCESA-N 2 1 270.420 3.451 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000536685505 376120945 /nfs/dbraw/zinc/12/09/45/376120945.db2.gz UDIUOCGDHQSUBT-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000536685505 376120951 /nfs/dbraw/zinc/12/09/51/376120951.db2.gz UDIUOCGDHQSUBT-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000536658776 376111226 /nfs/dbraw/zinc/11/12/26/376111226.db2.gz LMAZNNJSVTWDOO-XJKSGUPXSA-N 2 1 280.481 3.473 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)s1 ZINC000536658776 376111230 /nfs/dbraw/zinc/11/12/30/376111230.db2.gz LMAZNNJSVTWDOO-XJKSGUPXSA-N 2 1 280.481 3.473 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)s1 ZINC000536658776 376111235 /nfs/dbraw/zinc/11/12/35/376111235.db2.gz LMAZNNJSVTWDOO-XJKSGUPXSA-N 2 1 280.481 3.473 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212816475 376139350 /nfs/dbraw/zinc/13/93/50/376139350.db2.gz HXFVICJSEZLGPM-RYUDHWBXSA-N 2 1 284.806 3.472 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212809154 376139542 /nfs/dbraw/zinc/13/95/42/376139542.db2.gz SROIZBPYPJKXHW-MNOVXSKESA-N 2 1 272.795 3.470 20 0 CGADMP COCC[C@@H](c1ccccc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337267421 376178363 /nfs/dbraw/zinc/17/83/63/376178363.db2.gz IVZIEIRRRISAIL-SFHVURJKSA-N 2 1 290.451 3.182 20 0 CGADMP C[C@@H]1C[C@]1(NCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000337270728 376182185 /nfs/dbraw/zinc/18/21/85/376182185.db2.gz ZYCXMWVHAICWSB-QMTHXVAHSA-N 2 1 261.756 3.088 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)s1 ZINC000536695288 376123033 /nfs/dbraw/zinc/12/30/33/376123033.db2.gz YDTCWKHJVICDQQ-ZDUSSCGKSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)s1 ZINC000536695288 376123037 /nfs/dbraw/zinc/12/30/37/376123037.db2.gz YDTCWKHJVICDQQ-ZDUSSCGKSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)s1 ZINC000536695288 376123042 /nfs/dbraw/zinc/12/30/42/376123042.db2.gz YDTCWKHJVICDQQ-ZDUSSCGKSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)s1 ZINC000536695288 376123048 /nfs/dbraw/zinc/12/30/48/376123048.db2.gz YDTCWKHJVICDQQ-ZDUSSCGKSA-N 2 1 266.454 3.084 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccccc1F ZINC000221908106 376222560 /nfs/dbraw/zinc/22/25/60/376222560.db2.gz PWIQQVYRPIBZKV-CYBMUJFWSA-N 2 1 252.377 3.207 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccc1OC ZINC000221925976 376225405 /nfs/dbraw/zinc/22/54/05/376225405.db2.gz XEJPWEOJYJLOCT-MRXNPFEDSA-N 2 1 278.440 3.466 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1OC ZINC000221925976 376225409 /nfs/dbraw/zinc/22/54/09/376225409.db2.gz XEJPWEOJYJLOCT-MRXNPFEDSA-N 2 1 278.440 3.466 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000226313097 376350172 /nfs/dbraw/zinc/35/01/72/376350172.db2.gz CSXFXQRBPKDPQZ-AWEZNQCLSA-N 2 1 264.413 3.076 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000226313097 376350176 /nfs/dbraw/zinc/35/01/76/376350176.db2.gz CSXFXQRBPKDPQZ-AWEZNQCLSA-N 2 1 264.413 3.076 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000227610802 376401919 /nfs/dbraw/zinc/40/19/19/376401919.db2.gz DYBMAJSVAZGVOC-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227610802 376401926 /nfs/dbraw/zinc/40/19/26/376401926.db2.gz DYBMAJSVAZGVOC-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227610802 376401932 /nfs/dbraw/zinc/40/19/32/376401932.db2.gz DYBMAJSVAZGVOC-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP CO[C@@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000338545826 376419501 /nfs/dbraw/zinc/41/95/01/376419501.db2.gz HYVDWRHDAYABQZ-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000338545826 376419512 /nfs/dbraw/zinc/41/95/12/376419512.db2.gz HYVDWRHDAYABQZ-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000338545826 376419516 /nfs/dbraw/zinc/41/95/16/376419516.db2.gz HYVDWRHDAYABQZ-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000338545826 376419520 /nfs/dbraw/zinc/41/95/20/376419520.db2.gz HYVDWRHDAYABQZ-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP CCc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435580 376360593 /nfs/dbraw/zinc/36/05/93/376360593.db2.gz ZCYCQNXDXGYEKC-KRWDZBQOSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000226775226 376372634 /nfs/dbraw/zinc/37/26/34/376372634.db2.gz VTMBQLMVMYPQIE-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000226775226 376372643 /nfs/dbraw/zinc/37/26/43/376372643.db2.gz VTMBQLMVMYPQIE-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000226918649 376374739 /nfs/dbraw/zinc/37/47/39/376374739.db2.gz LYSAKBWPPCRDND-RDJZCZTQSA-N 2 1 260.425 3.315 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C2CCC2)o1 ZINC000541744024 376476115 /nfs/dbraw/zinc/47/61/15/376476115.db2.gz GATMSHLDPGRYDX-RHSMWYFYSA-N 2 1 276.424 3.361 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CCC2)o1 ZINC000541744024 376476123 /nfs/dbraw/zinc/47/61/23/376476123.db2.gz GATMSHLDPGRYDX-RHSMWYFYSA-N 2 1 276.424 3.361 20 0 CGADMP C[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)CC1CCCCC1 ZINC000541774090 376480974 /nfs/dbraw/zinc/48/09/74/376480974.db2.gz CDQCRKFESPSQKL-OAHLLOKOSA-N 2 1 264.457 3.444 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000541536098 376455959 /nfs/dbraw/zinc/45/59/59/376455959.db2.gz YAJHHHDRQUZRAX-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000541536098 376455967 /nfs/dbraw/zinc/45/59/67/376455967.db2.gz YAJHHHDRQUZRAX-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000541536098 376455977 /nfs/dbraw/zinc/45/59/77/376455977.db2.gz YAJHHHDRQUZRAX-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](C[NH2+]CC[N@H+](C)C1CCCC1)Cc1ccccc1 ZINC000541590080 376463758 /nfs/dbraw/zinc/46/37/58/376463758.db2.gz YZIOSTHLFCTTBF-INIZCTEOSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H](C[NH2+]CC[N@@H+](C)C1CCCC1)Cc1ccccc1 ZINC000541590080 376463765 /nfs/dbraw/zinc/46/37/65/376463765.db2.gz YZIOSTHLFCTTBF-INIZCTEOSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C2CCC2)o1 ZINC000541744023 376475412 /nfs/dbraw/zinc/47/54/12/376475412.db2.gz GATMSHLDPGRYDX-PBHICJAKSA-N 2 1 276.424 3.361 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CCC2)o1 ZINC000541744023 376475415 /nfs/dbraw/zinc/47/54/15/376475415.db2.gz GATMSHLDPGRYDX-PBHICJAKSA-N 2 1 276.424 3.361 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231455275 376558768 /nfs/dbraw/zinc/55/87/68/376558768.db2.gz FQKCAKXLGLCENO-AWEZNQCLSA-N 2 1 272.392 3.315 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231462056 376559892 /nfs/dbraw/zinc/55/98/92/376559892.db2.gz WXAMDAKWNWNPFX-CQSZACIVSA-N 2 1 286.341 3.279 20 0 CGADMP CC[N@H+]1CC[C@H](CN[C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670821 376566996 /nfs/dbraw/zinc/56/69/96/376566996.db2.gz NTDCAIDNNCQKSZ-PBHICJAKSA-N 2 1 276.424 3.361 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670821 376567014 /nfs/dbraw/zinc/56/70/14/376567014.db2.gz NTDCAIDNNCQKSZ-PBHICJAKSA-N 2 1 276.424 3.361 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CC(C(C)C)C1)[NH+]1CCCC1 ZINC000232537643 376583121 /nfs/dbraw/zinc/58/31/21/376583121.db2.gz OMCUSMXQMKOYDV-UYSNPLJNSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1Cl ZINC000232654790 376585898 /nfs/dbraw/zinc/58/58/98/376585898.db2.gz FFJGULSCANAYCE-UHFFFAOYSA-N 2 1 268.832 3.468 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1Cl ZINC000232654790 376585905 /nfs/dbraw/zinc/58/59/05/376585905.db2.gz FFJGULSCANAYCE-UHFFFAOYSA-N 2 1 268.832 3.468 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000543137993 376612061 /nfs/dbraw/zinc/61/20/61/376612061.db2.gz CSPKEYDLJYEUSF-CJNGLKHVSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000543137993 376612065 /nfs/dbraw/zinc/61/20/65/376612065.db2.gz CSPKEYDLJYEUSF-CJNGLKHVSA-N 2 1 296.405 3.169 20 0 CGADMP Cc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000234338354 376615264 /nfs/dbraw/zinc/61/52/64/376615264.db2.gz AMZYFWAQISLBFQ-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000234338354 376615269 /nfs/dbraw/zinc/61/52/69/376615269.db2.gz AMZYFWAQISLBFQ-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000234338354 376615273 /nfs/dbraw/zinc/61/52/73/376615273.db2.gz AMZYFWAQISLBFQ-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[C@@H](C[NH2+]C[C@H](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000543446427 376643770 /nfs/dbraw/zinc/64/37/70/376643770.db2.gz HODYKJWAOHNKGN-AEFFLSMTSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086060 376672961 /nfs/dbraw/zinc/67/29/61/376672961.db2.gz VVSGEMHFNWTVBZ-FPCVCCKLSA-N 2 1 294.483 3.185 20 0 CGADMP CC[NH+](CC)CCSC[C@H]1CCCC[N@H+]1C(C)C ZINC000339115042 376690219 /nfs/dbraw/zinc/69/02/19/376690219.db2.gz XSEJXMCIKGTDNS-OAHLLOKOSA-N 2 1 272.502 3.324 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433133 376756341 /nfs/dbraw/zinc/75/63/41/376756341.db2.gz JUJLWKUATIUMDC-CVEARBPZSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433133 376756350 /nfs/dbraw/zinc/75/63/50/376756350.db2.gz JUJLWKUATIUMDC-CVEARBPZSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433133 376756361 /nfs/dbraw/zinc/75/63/61/376756361.db2.gz JUJLWKUATIUMDC-CVEARBPZSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000545519929 376829590 /nfs/dbraw/zinc/82/95/90/376829590.db2.gz VCIWIZORWHTNMY-JYJNAYRXSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000545519929 376829595 /nfs/dbraw/zinc/82/95/95/376829595.db2.gz VCIWIZORWHTNMY-JYJNAYRXSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)n1 ZINC000245576277 376859974 /nfs/dbraw/zinc/85/99/74/376859974.db2.gz BAWMATYNPSTDES-NVXWUHKLSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000245576277 376859979 /nfs/dbraw/zinc/85/99/79/376859979.db2.gz BAWMATYNPSTDES-NVXWUHKLSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000245576277 376859984 /nfs/dbraw/zinc/85/99/84/376859984.db2.gz BAWMATYNPSTDES-NVXWUHKLSA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000245576277 376859990 /nfs/dbraw/zinc/85/99/90/376859990.db2.gz BAWMATYNPSTDES-NVXWUHKLSA-N 2 1 273.424 3.011 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CC=CCC1 ZINC000245759161 376903063 /nfs/dbraw/zinc/90/30/63/376903063.db2.gz PIYWDKANDVVIIP-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000556865765 376891339 /nfs/dbraw/zinc/89/13/39/376891339.db2.gz GHJQBONCBHRQTQ-BPUTZDHNSA-N 2 1 278.827 3.302 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCc3ccccc32)CC[N@H+]1C ZINC000246052590 376958109 /nfs/dbraw/zinc/95/81/09/376958109.db2.gz PZBYWDHUXBXNDG-HHXXYDBFSA-N 2 1 286.463 3.353 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000246062999 376961131 /nfs/dbraw/zinc/96/11/31/376961131.db2.gz YQCGIJYPGRKMEP-INMHGKMJSA-N 2 1 275.440 3.385 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000246109579 376969753 /nfs/dbraw/zinc/96/97/53/376969753.db2.gz JRYITTNDQUJVSA-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP COc1ccc([C@H](C)C[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000558494046 377013933 /nfs/dbraw/zinc/01/39/33/377013933.db2.gz URKZJKPSYNULJT-CABCVRRESA-N 2 1 278.440 3.117 20 0 CGADMP COc1ccc([C@H](C)C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000558494046 377013938 /nfs/dbraw/zinc/01/39/38/377013938.db2.gz URKZJKPSYNULJT-CABCVRRESA-N 2 1 278.440 3.117 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246894514 377113944 /nfs/dbraw/zinc/11/39/44/377113944.db2.gz FNSYBLPIFKNDDI-HEHGZKQESA-N 2 1 278.465 3.227 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1Cl ZINC000246561678 377053522 /nfs/dbraw/zinc/05/35/22/377053522.db2.gz XEGXUMWIIHOYCX-SLEUVZQESA-N 2 1 296.842 3.167 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000246561678 377053532 /nfs/dbraw/zinc/05/35/32/377053532.db2.gz XEGXUMWIIHOYCX-SLEUVZQESA-N 2 1 296.842 3.167 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559312384 377077994 /nfs/dbraw/zinc/07/79/94/377077994.db2.gz SWHMWJCYENBIBV-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559312384 377078004 /nfs/dbraw/zinc/07/80/04/377078004.db2.gz SWHMWJCYENBIBV-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000246939781 377124550 /nfs/dbraw/zinc/12/45/50/377124550.db2.gz HONOKJCIGCUHFS-SQWLQELKSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246949681 377124765 /nfs/dbraw/zinc/12/47/65/377124765.db2.gz IHIAKNURWLEZBI-DOTOQJQBSA-N 2 1 274.452 3.345 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(C)nc2C)C1 ZINC000246816099 377093914 /nfs/dbraw/zinc/09/39/14/377093914.db2.gz AWNHQARQWVLEQT-RISCZKNCSA-N 2 1 281.469 3.142 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246813634 377094973 /nfs/dbraw/zinc/09/49/73/377094973.db2.gz AVGQUIMHPIPWQE-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246870283 377107470 /nfs/dbraw/zinc/10/74/70/377107470.db2.gz COGSYQCGEFQBHU-DZKIICNBSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246870283 377107482 /nfs/dbraw/zinc/10/74/82/377107482.db2.gz COGSYQCGEFQBHU-DZKIICNBSA-N 2 1 276.424 3.219 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC)cc2)C1 ZINC000246970744 377129324 /nfs/dbraw/zinc/12/93/24/377129324.db2.gz JDNJSZLEVIXGJL-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000247120763 377162639 /nfs/dbraw/zinc/16/26/39/377162639.db2.gz RDCSXWXZYVBURK-RKVPGOIHSA-N 2 1 272.436 3.241 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@H]2CCC[C@H]21 ZINC000560521861 377163436 /nfs/dbraw/zinc/16/34/36/377163436.db2.gz GXJMSZIROJUDKX-IXDOHACOSA-N 2 1 284.403 3.395 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000560529225 377166023 /nfs/dbraw/zinc/16/60/23/377166023.db2.gz KRNTYTBKFGPYFB-FXUDXRNXSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000560529225 377166028 /nfs/dbraw/zinc/16/60/28/377166028.db2.gz KRNTYTBKFGPYFB-FXUDXRNXSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000247160703 377169189 /nfs/dbraw/zinc/16/91/89/377169189.db2.gz UDOYNXCWBOAJDV-VGWMRTNUSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000560593911 377176907 /nfs/dbraw/zinc/17/69/07/377176907.db2.gz ADVMLEYFGHQHQX-PKOBYXMFSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000560593911 377176909 /nfs/dbraw/zinc/17/69/09/377176909.db2.gz ADVMLEYFGHQHQX-PKOBYXMFSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000560593911 377176915 /nfs/dbraw/zinc/17/69/15/377176915.db2.gz ADVMLEYFGHQHQX-PKOBYXMFSA-N 2 1 286.463 3.283 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000247202497 377177861 /nfs/dbraw/zinc/17/78/61/377177861.db2.gz WLXAEYKGBRTJOA-WBMJQRKESA-N 2 1 278.827 3.259 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000247492112 377212409 /nfs/dbraw/zinc/21/24/09/377212409.db2.gz LAAWMDRTMJWXTP-CVEARBPZSA-N 2 1 260.425 3.411 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1C ZINC000561395726 377223800 /nfs/dbraw/zinc/22/38/00/377223800.db2.gz LKDQUCJKGLSCNW-DOTOQJQBSA-N 2 1 290.451 3.084 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000561395726 377223817 /nfs/dbraw/zinc/22/38/17/377223817.db2.gz LKDQUCJKGLSCNW-DOTOQJQBSA-N 2 1 290.451 3.084 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000561395726 377223824 /nfs/dbraw/zinc/22/38/24/377223824.db2.gz LKDQUCJKGLSCNW-DOTOQJQBSA-N 2 1 290.451 3.084 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCOC1 ZINC000247942378 377245829 /nfs/dbraw/zinc/24/58/29/377245829.db2.gz DCAZXMMUHVZBKF-CGTJXYLNSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000248062238 377264085 /nfs/dbraw/zinc/26/40/85/377264085.db2.gz LYNZTIKZFYZTSI-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000248062238 377264094 /nfs/dbraw/zinc/26/40/94/377264094.db2.gz LYNZTIKZFYZTSI-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000248062238 377264102 /nfs/dbraw/zinc/26/41/02/377264102.db2.gz LYNZTIKZFYZTSI-VQIMIIECSA-N 2 1 295.430 3.151 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000248064449 377264675 /nfs/dbraw/zinc/26/46/75/377264675.db2.gz MBCWPKOMHSPMTF-LRDDRELGSA-N 2 1 278.827 3.259 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000248132537 377270035 /nfs/dbraw/zinc/27/00/35/377270035.db2.gz OPNPNRWIHZMFBO-RHSMWYFYSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000248451655 377323312 /nfs/dbraw/zinc/32/33/12/377323312.db2.gz GBIXQQSTKHPQEM-FPCVCCKLSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000248451655 377323319 /nfs/dbraw/zinc/32/33/19/377323319.db2.gz GBIXQQSTKHPQEM-FPCVCCKLSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000248451655 377323330 /nfs/dbraw/zinc/32/33/30/377323330.db2.gz GBIXQQSTKHPQEM-FPCVCCKLSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248451655 377323339 /nfs/dbraw/zinc/32/33/39/377323339.db2.gz GBIXQQSTKHPQEM-FPCVCCKLSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248451655 377323344 /nfs/dbraw/zinc/32/33/44/377323344.db2.gz GBIXQQSTKHPQEM-FPCVCCKLSA-N 2 1 252.446 3.227 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1F ZINC000248198485 377279510 /nfs/dbraw/zinc/27/95/10/377279510.db2.gz XUYVKIBKAPBLOL-XJKSGUPXSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1F ZINC000248198485 377279520 /nfs/dbraw/zinc/27/95/20/377279520.db2.gz XUYVKIBKAPBLOL-XJKSGUPXSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@H]1C ZINC000248368795 377296397 /nfs/dbraw/zinc/29/63/97/377296397.db2.gz VORFRQJNGXZEKL-KGLIPLIRSA-N 2 1 255.365 3.103 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000161623109 542160127 /nfs/dbraw/zinc/16/01/27/542160127.db2.gz SNZOURXSZJVUDV-BFYDXBDKSA-N 2 1 274.383 3.029 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000248697719 377383502 /nfs/dbraw/zinc/38/35/02/377383502.db2.gz DWRZDTWBDHTFHZ-ZACQAIPSSA-N 2 1 289.467 3.409 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1cccc(Cl)c1 ZINC000563348859 377446427 /nfs/dbraw/zinc/44/64/27/377446427.db2.gz DDOYNTLUKPBITI-XUJVJEKNSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000249434012 377503520 /nfs/dbraw/zinc/50/35/20/377503520.db2.gz KJJKHZJBQPXQSX-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000249434012 377503525 /nfs/dbraw/zinc/50/35/25/377503525.db2.gz KJJKHZJBQPXQSX-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000249434012 377503530 /nfs/dbraw/zinc/50/35/30/377503530.db2.gz KJJKHZJBQPXQSX-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000249735336 377525756 /nfs/dbraw/zinc/52/57/56/377525756.db2.gz DNPHTEBJROYAFR-OXGONZEZSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000093515877 249037383 /nfs/dbraw/zinc/03/73/83/249037383.db2.gz KRHXFWAPVXLXJE-KURKYZTESA-N 3 1 295.515 3.009 20 0 CGADMP COC1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000130021027 249046226 /nfs/dbraw/zinc/04/62/26/249046226.db2.gz FEMXWAPMQJMDAM-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP Clc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000165993578 542174021 /nfs/dbraw/zinc/17/40/21/542174021.db2.gz PJPJBJRBCURSBE-JKSUJKDBSA-N 2 1 278.827 3.099 20 0 CGADMP COc1cc(F)cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000312516234 249080653 /nfs/dbraw/zinc/08/06/53/249080653.db2.gz KXTDUYNUASFZBN-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CSCc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459522611 249154484 /nfs/dbraw/zinc/15/44/84/249154484.db2.gz UPMZBMLCHLSHAM-UHFFFAOYSA-N 2 1 290.476 3.266 20 0 CGADMP CN(Cc1ncc[nH]1)c1cc[nH+]c2ccc(Cl)cc21 ZINC000428129842 249132246 /nfs/dbraw/zinc/13/22/46/249132246.db2.gz ICNCKZWQHWIBMU-UHFFFAOYSA-N 2 1 272.739 3.248 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000250581071 377563843 /nfs/dbraw/zinc/56/38/43/377563843.db2.gz FZYNPWGMTVCWNV-UPJWGTAASA-N 2 1 278.362 3.039 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000514871009 249192494 /nfs/dbraw/zinc/19/24/94/249192494.db2.gz PEESCKMIAWUAOJ-GOSISDBHSA-N 2 1 297.446 3.368 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000514871009 249192495 /nfs/dbraw/zinc/19/24/95/249192495.db2.gz PEESCKMIAWUAOJ-GOSISDBHSA-N 2 1 297.446 3.368 20 0 CGADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251270243 377578570 /nfs/dbraw/zinc/57/85/70/377578570.db2.gz BQYZNRGCYSHLFY-VEDBGLOESA-N 2 1 264.457 3.416 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000573844545 377583337 /nfs/dbraw/zinc/58/33/37/377583337.db2.gz AYWRBEGVKVJUCB-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000251165599 377575770 /nfs/dbraw/zinc/57/57/70/377575770.db2.gz URZCFNHZAIHCJW-BPUTZDHNSA-N 2 1 276.399 3.412 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000518558559 249283707 /nfs/dbraw/zinc/28/37/07/249283707.db2.gz YIBDAEZRYKPPEJ-UKRRQHHQSA-N 2 1 270.376 3.258 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000518558559 249283709 /nfs/dbraw/zinc/28/37/09/249283709.db2.gz YIBDAEZRYKPPEJ-UKRRQHHQSA-N 2 1 270.376 3.258 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000518558560 249283904 /nfs/dbraw/zinc/28/39/04/249283904.db2.gz YIBDAEZRYKPPEJ-ZFWWWQNUSA-N 2 1 270.376 3.258 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000518558560 249283905 /nfs/dbraw/zinc/28/39/05/249283905.db2.gz YIBDAEZRYKPPEJ-ZFWWWQNUSA-N 2 1 270.376 3.258 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000517248509 249261564 /nfs/dbraw/zinc/26/15/64/249261564.db2.gz QHRQAHMJVYZDNL-MRXNPFEDSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000517248509 249261566 /nfs/dbraw/zinc/26/15/66/249261566.db2.gz QHRQAHMJVYZDNL-MRXNPFEDSA-N 2 1 291.439 3.005 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251553671 377586550 /nfs/dbraw/zinc/58/65/50/377586550.db2.gz BJFHWNWKXLXISE-CXAGYDPISA-N 2 1 254.377 3.009 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000251575853 377588087 /nfs/dbraw/zinc/58/80/87/377588087.db2.gz BVICGQPSJPJQDX-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000517978455 249274903 /nfs/dbraw/zinc/27/49/03/249274903.db2.gz ZGGNUWUQNSWYHC-NJAFHUGGSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251718213 377595883 /nfs/dbraw/zinc/59/58/83/377595883.db2.gz JTQKTDFPGCLUEF-GYSYKLTISA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251718213 377595890 /nfs/dbraw/zinc/59/58/90/377595890.db2.gz JTQKTDFPGCLUEF-GYSYKLTISA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251702546 377595938 /nfs/dbraw/zinc/59/59/38/377595938.db2.gz ODUBMJPHKCLOSS-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000251853225 377601407 /nfs/dbraw/zinc/60/14/07/377601407.db2.gz PESPZRFHXFGCNR-YRUAKLFHSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000180392539 542209708 /nfs/dbraw/zinc/20/97/08/542209708.db2.gz YETSTUCVTOKFLE-QGZVFWFLSA-N 2 1 286.463 3.382 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252133520 377615484 /nfs/dbraw/zinc/61/54/84/377615484.db2.gz MHEZRUHVIUQLMS-UGUYLWEFSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000252708556 377651625 /nfs/dbraw/zinc/65/16/25/377651625.db2.gz AKHCFVFSJCELSN-FVQBIDKESA-N 2 1 288.435 3.219 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000252708556 377651636 /nfs/dbraw/zinc/65/16/36/377651636.db2.gz AKHCFVFSJCELSN-FVQBIDKESA-N 2 1 288.435 3.219 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1[NH3+] ZINC000252692075 377651773 /nfs/dbraw/zinc/65/17/73/377651773.db2.gz ZXIHHGNZUXLADT-IAQYHMDHSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1[NH3+] ZINC000252692075 377651778 /nfs/dbraw/zinc/65/17/78/377651778.db2.gz ZXIHHGNZUXLADT-IAQYHMDHSA-N 2 1 289.810 3.057 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCC2CCCCC2)C1 ZINC000574365483 377655316 /nfs/dbraw/zinc/65/53/16/377655316.db2.gz CDNPLXVJECEKDQ-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCC2CCCCC2)C1 ZINC000574365483 377655325 /nfs/dbraw/zinc/65/53/25/377655325.db2.gz CDNPLXVJECEKDQ-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCC2CCCCC2)C1 ZINC000574365483 377655334 /nfs/dbraw/zinc/65/53/34/377655334.db2.gz CDNPLXVJECEKDQ-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342699821 377743426 /nfs/dbraw/zinc/74/34/26/377743426.db2.gz PXKWXEPTDRQUDR-IAGOWNOFSA-N 2 1 299.418 3.027 20 0 CGADMP CCC[N@@H+](CC1CCCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000261695497 377840455 /nfs/dbraw/zinc/84/04/55/377840455.db2.gz BVRFWJPEQREGFS-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cnccc32)[C@H](C)C1 ZINC000183355920 542229836 /nfs/dbraw/zinc/22/98/36/542229836.db2.gz FNPYCFVEUOHQPK-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cnccc32)[C@H](C)C1 ZINC000183355920 542229839 /nfs/dbraw/zinc/22/98/39/542229839.db2.gz FNPYCFVEUOHQPK-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cnccc32)[C@H](C)C1 ZINC000183355920 542229843 /nfs/dbraw/zinc/22/98/43/542229843.db2.gz FNPYCFVEUOHQPK-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261929393 377869291 /nfs/dbraw/zinc/86/92/91/377869291.db2.gz LHQPXEXBVLFUOC-QIXHYMPYSA-N 2 1 276.399 3.144 20 0 CGADMP C[N@H+](Cc1cccc2cnccc21)CC1CC[NH+](C)CC1 ZINC000183260360 542230423 /nfs/dbraw/zinc/23/04/23/542230423.db2.gz TXGBFVNYNUOXHV-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261971082 377873652 /nfs/dbraw/zinc/87/36/52/377873652.db2.gz IGUKBIXNGSSHBW-SJORKVTESA-N 2 1 260.425 3.315 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1cccc(Cl)c1 ZINC000262016344 377880166 /nfs/dbraw/zinc/88/01/66/377880166.db2.gz VSXGYHBEDNKXFT-UPJWGTAASA-N 2 1 266.816 3.113 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262089400 377886185 /nfs/dbraw/zinc/88/61/85/377886185.db2.gz URVIEDNTNWUJFA-XYPHTWIQSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000262117691 377888645 /nfs/dbraw/zinc/88/86/45/377888645.db2.gz KIEUEACCZNHYLJ-QGTPRVQTSA-N 2 1 295.430 3.102 20 0 CGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000261727334 377843958 /nfs/dbraw/zinc/84/39/58/377843958.db2.gz GSMFQOYCRQDMJP-AWEZNQCLSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000261727334 377843964 /nfs/dbraw/zinc/84/39/64/377843964.db2.gz GSMFQOYCRQDMJP-AWEZNQCLSA-N 2 1 286.341 3.137 20 0 CGADMP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000261723872 377845769 /nfs/dbraw/zinc/84/57/69/377845769.db2.gz KPZHTKAXNFTDEW-NSHDSACASA-N 2 1 284.350 3.033 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261756885 377848804 /nfs/dbraw/zinc/84/88/04/377848804.db2.gz UNJLFWPZRYSNNH-KYOSRNDESA-N 2 1 296.361 3.033 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261756885 377848809 /nfs/dbraw/zinc/84/88/09/377848809.db2.gz UNJLFWPZRYSNNH-KYOSRNDESA-N 2 1 296.361 3.033 20 0 CGADMP CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000577904959 378022709 /nfs/dbraw/zinc/02/27/09/378022709.db2.gz GKSIPTAQNMUADM-VNQPRFMTSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000577904959 378022712 /nfs/dbraw/zinc/02/27/12/378022712.db2.gz GKSIPTAQNMUADM-VNQPRFMTSA-N 2 1 252.446 3.297 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000579095722 378129389 /nfs/dbraw/zinc/12/93/89/378129389.db2.gz IJYGRSSTRZVVCU-BSDSXHPESA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000579095722 378129392 /nfs/dbraw/zinc/12/93/92/378129392.db2.gz IJYGRSSTRZVVCU-BSDSXHPESA-N 2 1 296.499 3.292 20 0 CGADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268875895 378139764 /nfs/dbraw/zinc/13/97/64/378139764.db2.gz VODISIZDKSBLRF-JZXOWHBKSA-N 2 1 290.451 3.054 20 0 CGADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268875895 378139769 /nfs/dbraw/zinc/13/97/69/378139769.db2.gz VODISIZDKSBLRF-JZXOWHBKSA-N 2 1 290.451 3.054 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H](C)[C@H]1OC ZINC000344028829 378155016 /nfs/dbraw/zinc/15/50/16/378155016.db2.gz BALZGVLSQKSCFO-KBRIMQKVSA-N 2 1 294.483 3.043 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000344003122 378150315 /nfs/dbraw/zinc/15/03/15/378150315.db2.gz XUWIMWYHCDXGOZ-XHSDSOJGSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000344003122 378150320 /nfs/dbraw/zinc/15/03/20/378150320.db2.gz XUWIMWYHCDXGOZ-XHSDSOJGSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C12CCCCC2 ZINC000344010295 378151551 /nfs/dbraw/zinc/15/15/51/378151551.db2.gz HNLGPVUVJBPDFT-YESZJQIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000578725953 378095076 /nfs/dbraw/zinc/09/50/76/378095076.db2.gz JTAUHVIKVACFIB-AWEZNQCLSA-N 2 1 264.413 3.065 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+]CCC[NH+](C)C)c(C)c2c1 ZINC000268726923 378097048 /nfs/dbraw/zinc/09/70/48/378097048.db2.gz RDLLFGSFOMMHDV-CYBMUJFWSA-N 2 1 290.407 3.352 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000579353652 378152705 /nfs/dbraw/zinc/15/27/05/378152705.db2.gz GUCFIQQEAYZMCM-PBHICJAKSA-N 2 1 276.399 3.005 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000578834237 378104207 /nfs/dbraw/zinc/10/42/07/378104207.db2.gz KKZJQTZSWIODTH-CQSZACIVSA-N 2 1 272.392 3.253 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000268785163 378110509 /nfs/dbraw/zinc/11/05/09/378110509.db2.gz DPRPKMQBXZJYST-QGZVFWFLSA-N 2 1 299.418 3.312 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCc1c[nH+]cn1C ZINC000579968560 378213266 /nfs/dbraw/zinc/21/32/66/378213266.db2.gz FGGSPJIOKNSINR-GFCCVEGCSA-N 2 1 293.361 3.324 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000579968560 378213268 /nfs/dbraw/zinc/21/32/68/378213268.db2.gz FGGSPJIOKNSINR-GFCCVEGCSA-N 2 1 293.361 3.324 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](CC)C(C)C)C12CCCC2 ZINC000344089744 378158837 /nfs/dbraw/zinc/15/88/37/378158837.db2.gz BIUQBNNGUVGCBA-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](CC)C(C)C)C12CCCC2 ZINC000344089744 378158842 /nfs/dbraw/zinc/15/88/42/378158842.db2.gz BIUQBNNGUVGCBA-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000344649360 378175781 /nfs/dbraw/zinc/17/57/81/378175781.db2.gz ZLDHYPMULICWKE-JWMHWRSXSA-N 2 1 252.446 3.418 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000344649360 378175788 /nfs/dbraw/zinc/17/57/88/378175788.db2.gz ZLDHYPMULICWKE-JWMHWRSXSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269879952 378276555 /nfs/dbraw/zinc/27/65/55/378276555.db2.gz ROUFIYNKASRHLZ-OAHLLOKOSA-N 2 1 291.345 3.137 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC1Cc2ccccc2C1 ZINC000580264495 378235872 /nfs/dbraw/zinc/23/58/72/378235872.db2.gz AMAGHQSPQILPBA-HZPDHXFCSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC1Cc2ccccc2C1 ZINC000580264495 378235874 /nfs/dbraw/zinc/23/58/74/378235874.db2.gz AMAGHQSPQILPBA-HZPDHXFCSA-N 2 1 286.463 3.111 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(Cl)cc1 ZINC000270863480 378407719 /nfs/dbraw/zinc/40/77/19/378407719.db2.gz SEAIMSMECOAKRZ-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(Cl)cc1 ZINC000270863480 378407724 /nfs/dbraw/zinc/40/77/24/378407724.db2.gz SEAIMSMECOAKRZ-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000270588153 378373235 /nfs/dbraw/zinc/37/32/35/378373235.db2.gz DPTZQLXEWHYHKA-UHFFFAOYSA-N 2 1 283.375 3.460 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000270588153 378373242 /nfs/dbraw/zinc/37/32/42/378373242.db2.gz DPTZQLXEWHYHKA-UHFFFAOYSA-N 2 1 283.375 3.460 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000270623934 378377986 /nfs/dbraw/zinc/37/79/86/378377986.db2.gz DXRUBYJBQXDJPV-NVXWUHKLSA-N 2 1 283.419 3.378 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000270623934 378377988 /nfs/dbraw/zinc/37/79/88/378377988.db2.gz DXRUBYJBQXDJPV-NVXWUHKLSA-N 2 1 283.419 3.378 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000270705995 378391034 /nfs/dbraw/zinc/39/10/34/378391034.db2.gz YRVXGSNLJDJFNM-GOSISDBHSA-N 2 1 298.434 3.158 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000270705995 378391042 /nfs/dbraw/zinc/39/10/42/378391042.db2.gz YRVXGSNLJDJFNM-GOSISDBHSA-N 2 1 298.434 3.158 20 0 CGADMP c1c[nH+]c([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH]1 ZINC000271651056 378499185 /nfs/dbraw/zinc/49/91/85/378499185.db2.gz RYQHGAXHUVIYMB-CYBMUJFWSA-N 2 1 278.359 3.342 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271877903 378509581 /nfs/dbraw/zinc/50/95/81/378509581.db2.gz OMYMHVBBGWTGOB-QGZVFWFLSA-N 2 1 298.430 3.284 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000271866924 378510740 /nfs/dbraw/zinc/51/07/40/378510740.db2.gz LPFAEONRHYPZQW-MRXNPFEDSA-N 2 1 276.811 3.179 20 0 CGADMP CC[C@@H](C)[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000346335887 378549048 /nfs/dbraw/zinc/54/90/48/378549048.db2.gz ZFRPWCYQHOQXIU-OAHLLOKOSA-N 2 1 271.408 3.492 20 0 CGADMP CC[C@@H](C)[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000346335887 378549051 /nfs/dbraw/zinc/54/90/51/378549051.db2.gz ZFRPWCYQHOQXIU-OAHLLOKOSA-N 2 1 271.408 3.492 20 0 CGADMP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000272035616 378549963 /nfs/dbraw/zinc/54/99/63/378549963.db2.gz NVJLEEVFOVXUMK-SJLPKXTDSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H]([NH2+]Cc1cccn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272188302 378580397 /nfs/dbraw/zinc/58/03/97/378580397.db2.gz LQDQXARFWVQFEC-SJLPKXTDSA-N 2 1 297.446 3.025 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@](C)(OC)C2CC2)CC1 ZINC000637905556 378626102 /nfs/dbraw/zinc/62/61/02/378626102.db2.gz LFMBXDUYLJOKFS-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC000273019892 378734836 /nfs/dbraw/zinc/73/48/36/378734836.db2.gz CLBWQVYKTAVHOA-CQSZACIVSA-N 2 1 288.435 3.281 20 0 CGADMP CC(=O)Nc1ccc([C@@H](C)NCCC[N@H+](C)C(C)C)cc1 ZINC000272755526 378699548 /nfs/dbraw/zinc/69/95/48/378699548.db2.gz JRBCWYMXBFNIMA-CQSZACIVSA-N 2 1 291.439 3.026 20 0 CGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000272755526 378699553 /nfs/dbraw/zinc/69/95/53/378699553.db2.gz JRBCWYMXBFNIMA-CQSZACIVSA-N 2 1 291.439 3.026 20 0 CGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000272755526 378699556 /nfs/dbraw/zinc/69/95/56/378699556.db2.gz JRBCWYMXBFNIMA-CQSZACIVSA-N 2 1 291.439 3.026 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2csc(C)c2C)C1 ZINC000638131727 378714217 /nfs/dbraw/zinc/71/42/17/378714217.db2.gz DQDYZELGLBWHKO-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2csc(C)c2C)C1 ZINC000638131727 378714221 /nfs/dbraw/zinc/71/42/21/378714221.db2.gz DQDYZELGLBWHKO-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2csc(C)c2C)C1 ZINC000638131727 378714224 /nfs/dbraw/zinc/71/42/24/378714224.db2.gz DQDYZELGLBWHKO-CQSZACIVSA-N 2 1 266.454 3.139 20 0 CGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347872854 378728869 /nfs/dbraw/zinc/72/88/69/378728869.db2.gz DQNALSCBTBVFOZ-DAYGRLMNSA-N 2 1 285.435 3.150 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CC1(F)F ZINC000638311519 378765737 /nfs/dbraw/zinc/76/57/37/378765737.db2.gz ZWHVADCGTWYLGT-DZGCQCFKSA-N 2 1 282.378 3.142 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(F)F ZINC000638365481 378778807 /nfs/dbraw/zinc/77/88/07/378778807.db2.gz DRVPOHXIXNVQIM-RDBSUJKOSA-N 2 1 274.399 3.132 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000348136454 378808185 /nfs/dbraw/zinc/80/81/85/378808185.db2.gz NNKYSSNMKKUKQB-JKIFEVAISA-N 2 1 299.418 3.399 20 0 CGADMP Cc1cc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)oc2cc1C ZINC000346827931 218026077 /nfs/dbraw/zinc/02/60/77/218026077.db2.gz MXXANCRAONFCQA-IAOVAPTHSA-N 2 1 284.403 3.219 20 0 CGADMP CO[C@@H](C[NH2+]CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000638674985 378868507 /nfs/dbraw/zinc/86/85/07/378868507.db2.gz PKTUWHWPJKQPOQ-KRWDZBQOSA-N 2 1 293.455 3.157 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc2ccccc21 ZINC000275059567 378932140 /nfs/dbraw/zinc/93/21/40/378932140.db2.gz WNTZJTYQMMKDAS-AWEZNQCLSA-N 2 1 279.387 3.467 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000347000867 218087828 /nfs/dbraw/zinc/08/78/28/218087828.db2.gz ZQPDVCOULCLAOH-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275293799 378955953 /nfs/dbraw/zinc/95/59/53/378955953.db2.gz PCIIFNBMVDRFBO-PBHICJAKSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275293799 378955958 /nfs/dbraw/zinc/95/59/58/378955958.db2.gz PCIIFNBMVDRFBO-PBHICJAKSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275293799 378955963 /nfs/dbraw/zinc/95/59/63/378955963.db2.gz PCIIFNBMVDRFBO-PBHICJAKSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275293799 378955965 /nfs/dbraw/zinc/95/59/65/378955965.db2.gz PCIIFNBMVDRFBO-PBHICJAKSA-N 2 1 260.425 3.021 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000347014307 218093715 /nfs/dbraw/zinc/09/37/15/218093715.db2.gz WRINDRNSLODMLG-JFIYKMOQSA-N 2 1 272.436 3.112 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)CCC1 ZINC000429516764 284733992 /nfs/dbraw/zinc/73/39/92/284733992.db2.gz PQOCQCPEHMLWFA-JYJNAYRXSA-N 2 1 282.472 3.187 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(C(F)F)nc2)CC1 ZINC000639080531 379007069 /nfs/dbraw/zinc/00/70/69/379007069.db2.gz BMGQVUBIPYNJQG-UHFFFAOYSA-N 2 1 295.377 3.079 20 0 CGADMP CCC(=O)CC[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000276857612 379009001 /nfs/dbraw/zinc/00/90/01/379009001.db2.gz JXKPYQCFJTYYOE-HNNXBMFYSA-N 2 1 299.418 3.178 20 0 CGADMP CCC[N@@H+](Cc1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000347166940 218143031 /nfs/dbraw/zinc/14/30/31/218143031.db2.gz LHRYGSLMIXEUSX-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP Cn1c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc2ccccc21 ZINC000639103662 379028318 /nfs/dbraw/zinc/02/83/18/379028318.db2.gz LSTIBBXJYUYZNH-MRXNPFEDSA-N 2 1 285.435 3.094 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc2ccccc21 ZINC000639103662 379028324 /nfs/dbraw/zinc/02/83/24/379028324.db2.gz LSTIBBXJYUYZNH-MRXNPFEDSA-N 2 1 285.435 3.094 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277147697 379081146 /nfs/dbraw/zinc/08/11/46/379081146.db2.gz JJYXWJDCBIQNGO-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277147697 379081159 /nfs/dbraw/zinc/08/11/59/379081159.db2.gz JJYXWJDCBIQNGO-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCSc2ccccc2F)CC1 ZINC000277237655 379106064 /nfs/dbraw/zinc/10/60/64/379106064.db2.gz PFHHMWQACWSYOK-CQSZACIVSA-N 2 1 296.455 3.334 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCSc2ccccc2F)CC1 ZINC000277237655 379106077 /nfs/dbraw/zinc/10/60/77/379106077.db2.gz PFHHMWQACWSYOK-CQSZACIVSA-N 2 1 296.455 3.334 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1cccn1C ZINC000371329872 379139170 /nfs/dbraw/zinc/13/91/70/379139170.db2.gz OVVDZQWTIPWJHT-KRWDZBQOSA-N 2 1 286.423 3.147 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000371329872 379139177 /nfs/dbraw/zinc/13/91/77/379139177.db2.gz OVVDZQWTIPWJHT-KRWDZBQOSA-N 2 1 286.423 3.147 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000373495512 379290163 /nfs/dbraw/zinc/29/01/63/379290163.db2.gz NFCKBHKQKPGVKE-DLBZAZTESA-N 2 1 283.419 3.227 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+](CC)CCC[NH+](C)C ZINC000349407486 379271131 /nfs/dbraw/zinc/27/11/31/379271131.db2.gz NUYHCDGEOOGYLM-UHFFFAOYSA-N 2 1 278.440 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](CC)CCC[NH+](C)C ZINC000349407486 379271138 /nfs/dbraw/zinc/27/11/38/379271138.db2.gz NUYHCDGEOOGYLM-UHFFFAOYSA-N 2 1 278.440 3.031 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(C)c1 ZINC000349407316 379271451 /nfs/dbraw/zinc/27/14/51/379271451.db2.gz NNDGEQFWIFPWMB-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000349663102 379336467 /nfs/dbraw/zinc/33/64/67/379336467.db2.gz CCEFFMZHQZQXOP-ZDUSSCGKSA-N 2 1 266.454 3.228 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374335685 379423980 /nfs/dbraw/zinc/42/39/80/379423980.db2.gz YLTYNIKLDXXGQB-CVEARBPZSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374335685 379423986 /nfs/dbraw/zinc/42/39/86/379423986.db2.gz YLTYNIKLDXXGQB-CVEARBPZSA-N 2 1 294.483 3.046 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2ccc(SC)cc2)CC1 ZINC000349961187 379457819 /nfs/dbraw/zinc/45/78/19/379457819.db2.gz CBCRFJOLCIWKHD-UHFFFAOYSA-N 2 1 278.465 3.325 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(SC)cc2)CC1 ZINC000349961187 379457839 /nfs/dbraw/zinc/45/78/39/379457839.db2.gz CBCRFJOLCIWKHD-UHFFFAOYSA-N 2 1 278.465 3.325 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(SC)cc2)CC1 ZINC000349961187 379457846 /nfs/dbraw/zinc/45/78/46/379457846.db2.gz CBCRFJOLCIWKHD-UHFFFAOYSA-N 2 1 278.465 3.325 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2C)cc1 ZINC000639567467 379477802 /nfs/dbraw/zinc/47/78/02/379477802.db2.gz QDRWWXQDQIADHV-ZQIUZPCESA-N 2 1 299.418 3.256 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000375095575 379486013 /nfs/dbraw/zinc/48/60/13/379486013.db2.gz YKRKDMPEELIFAV-WWTUQBGBSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000375095575 379486022 /nfs/dbraw/zinc/48/60/22/379486022.db2.gz YKRKDMPEELIFAV-WWTUQBGBSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)cc2F)CC[N@H+]1C ZINC000350047101 379487829 /nfs/dbraw/zinc/48/78/29/379487829.db2.gz HXVIYZJLKPSFLL-FMZFVKQPSA-N 2 1 280.362 3.050 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682606 379545927 /nfs/dbraw/zinc/54/59/27/379545927.db2.gz ZIJJIQYAMDUKTP-OAHLLOKOSA-N 2 1 299.393 3.494 20 0 CGADMP c1cncc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000639689950 379546620 /nfs/dbraw/zinc/54/66/20/379546620.db2.gz BVWCLPABLWUCDR-GOSISDBHSA-N 2 1 287.451 3.137 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCO1 ZINC000375887865 379515377 /nfs/dbraw/zinc/51/53/77/379515377.db2.gz JZIWYSAFPKCNSS-DUQPFJRNSA-N 2 1 294.483 3.043 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000639756278 379570153 /nfs/dbraw/zinc/57/01/53/379570153.db2.gz UPRIXUPTBYSGSX-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP CCc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639757453 379571990 /nfs/dbraw/zinc/57/19/90/379571990.db2.gz JRVJQBCHSOAPOW-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757249 379572920 /nfs/dbraw/zinc/57/29/20/379572920.db2.gz JSORPOHTIRNBTN-OAHLLOKOSA-N 2 1 288.435 3.174 20 0 CGADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1ccccc1 ZINC000377084129 379629840 /nfs/dbraw/zinc/62/98/40/379629840.db2.gz QJTIJKPFJJXLJC-FHWKSDSJSA-N 2 1 284.447 3.393 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000640015718 379687035 /nfs/dbraw/zinc/68/70/35/379687035.db2.gz LXRWJWBPHAPGOM-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000351331698 379714300 /nfs/dbraw/zinc/71/43/00/379714300.db2.gz SFBKINOAWPZYEC-ZDUSSCGKSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000351331698 379714309 /nfs/dbraw/zinc/71/43/09/379714309.db2.gz SFBKINOAWPZYEC-ZDUSSCGKSA-N 2 1 278.362 3.135 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000640105624 379721006 /nfs/dbraw/zinc/72/10/06/379721006.db2.gz HSXJMSGERMYDMH-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000640105624 379721013 /nfs/dbraw/zinc/72/10/13/379721013.db2.gz HSXJMSGERMYDMH-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000570502639 322274940 /nfs/dbraw/zinc/27/49/40/322274940.db2.gz HOGSHRXCCKSWIN-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352243207 379756408 /nfs/dbraw/zinc/75/64/08/379756408.db2.gz YRQHAHUAALIGBE-LBPRGKRZSA-N 2 1 269.458 3.119 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000267258776 190315905 /nfs/dbraw/zinc/31/59/05/190315905.db2.gz PSJQLLCHPGXORI-CQSZACIVSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC[N@@H+]1C ZINC000280792096 379790947 /nfs/dbraw/zinc/79/09/47/379790947.db2.gz JRWGSZKKUMGLIB-KBUPBQIOSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC[N@H+]1C ZINC000280792096 379790956 /nfs/dbraw/zinc/79/09/56/379790956.db2.gz JRWGSZKKUMGLIB-KBUPBQIOSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000280706505 379768164 /nfs/dbraw/zinc/76/81/64/379768164.db2.gz CYHKUDGYXUUZDK-VTWRMFPLSA-N 2 1 290.426 3.390 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+](CCn3ccnc3)CC2)cc1 ZINC000378490347 379832144 /nfs/dbraw/zinc/83/21/44/379832144.db2.gz DVULXEQXWHDVEZ-OAHLLOKOSA-N 2 1 287.382 3.292 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000352534852 379846366 /nfs/dbraw/zinc/84/63/66/379846366.db2.gz JVSRJYOBCNQWQI-PBHICJAKSA-N 2 1 276.399 3.005 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352540136 379849427 /nfs/dbraw/zinc/84/94/27/379849427.db2.gz HNZRSYZOGUGHNL-NVXWUHKLSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000380246364 379864128 /nfs/dbraw/zinc/86/41/28/379864128.db2.gz NIWFGZLEMQUEOE-BXUZGUMPSA-N 2 1 286.341 3.122 20 0 CGADMP COC1(CC[N@@H+](C)CCCC[NH+]2CCCCC2)CCC1 ZINC000640534719 379819363 /nfs/dbraw/zinc/81/93/63/379819363.db2.gz SRYGMOJVGZKLAW-UHFFFAOYSA-N 2 1 282.472 3.144 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCc1ccncc1 ZINC000640532844 379820380 /nfs/dbraw/zinc/82/03/80/379820380.db2.gz KONIAGCUHDKBRI-UHFFFAOYSA-N 2 1 289.467 3.212 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392214195 379910080 /nfs/dbraw/zinc/91/00/80/379910080.db2.gz UGDRHWZHYKGDSF-HOTGVXAUSA-N 2 1 250.430 3.053 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)[C@@H]1CC1(C)C ZINC000397669796 379924628 /nfs/dbraw/zinc/92/46/28/379924628.db2.gz FLMUPEJFSXZCDY-ILXRZTDVSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000282706339 379974204 /nfs/dbraw/zinc/97/42/04/379974204.db2.gz QMXQABKDMAUIIN-UKRRQHHQSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000282706342 379974266 /nfs/dbraw/zinc/97/42/66/379974266.db2.gz QMXQABKDMAUIIN-ZFWWWQNUSA-N 2 1 292.854 3.345 20 0 CGADMP CSc1ccc(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000352820446 379981237 /nfs/dbraw/zinc/98/12/37/379981237.db2.gz CVSCKJPKPMQBJW-UHFFFAOYSA-N 2 1 281.450 3.155 20 0 CGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCF ZINC000282596462 379952363 /nfs/dbraw/zinc/95/23/63/379952363.db2.gz XNFNZFQOFZSHLP-INIZCTEOSA-N 2 1 278.415 3.236 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCF ZINC000282596462 379952368 /nfs/dbraw/zinc/95/23/68/379952368.db2.gz XNFNZFQOFZSHLP-INIZCTEOSA-N 2 1 278.415 3.236 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000352776523 379952450 /nfs/dbraw/zinc/95/24/50/379952450.db2.gz SVHWMEBZCDSDGF-VFFUXOFRSA-N 2 1 280.362 3.050 20 0 CGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)cn1 ZINC000352787672 379960248 /nfs/dbraw/zinc/96/02/48/379960248.db2.gz GSIGBECAJNOABK-OAHLLOKOSA-N 2 1 290.386 3.247 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000282796337 379990448 /nfs/dbraw/zinc/99/04/48/379990448.db2.gz ZBRNSOMAHQPDFX-CYBMUJFWSA-N 2 1 291.826 3.456 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000282796307 379991073 /nfs/dbraw/zinc/99/10/73/379991073.db2.gz ZARTZLFWFNDGML-CYBMUJFWSA-N 2 1 278.827 3.123 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000268175079 190383551 /nfs/dbraw/zinc/38/35/51/190383551.db2.gz JYOMNZBYTQBUAI-UHFFFAOYSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000353246033 380186928 /nfs/dbraw/zinc/18/69/28/380186928.db2.gz DQPLPVKOSZGDNL-BXUZGUMPSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000286321283 380194748 /nfs/dbraw/zinc/19/47/48/380194748.db2.gz XOEGNFDXHMAAON-GOEBONIOSA-N 2 1 277.456 3.407 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000286321289 380195497 /nfs/dbraw/zinc/19/54/97/380195497.db2.gz XOEGNFDXHMAAON-ZBFHGGJFSA-N 2 1 277.456 3.407 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)s1 ZINC000414483975 380261730 /nfs/dbraw/zinc/26/17/30/380261730.db2.gz NJMYHUKGKZSJNF-UKRRQHHQSA-N 2 1 293.480 3.121 20 0 CGADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1C(F)(F)F ZINC000414425730 380229925 /nfs/dbraw/zinc/22/99/25/380229925.db2.gz FVEGYJHWBIOYIX-UHFFFAOYSA-N 2 1 298.352 3.365 20 0 CGADMP Cc1occc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000414443471 380240176 /nfs/dbraw/zinc/24/01/76/380240176.db2.gz IWXKHOCAMDDVLX-KDURUIRLSA-N 2 1 296.414 3.152 20 0 CGADMP Cc1occc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000414443471 380240187 /nfs/dbraw/zinc/24/01/87/380240187.db2.gz IWXKHOCAMDDVLX-KDURUIRLSA-N 2 1 296.414 3.152 20 0 CGADMP Cc1occc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000414443471 380240191 /nfs/dbraw/zinc/24/01/91/380240191.db2.gz IWXKHOCAMDDVLX-KDURUIRLSA-N 2 1 296.414 3.152 20 0 CGADMP Cc1occc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000414443471 380240201 /nfs/dbraw/zinc/24/02/01/380240201.db2.gz IWXKHOCAMDDVLX-KDURUIRLSA-N 2 1 296.414 3.152 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000643502413 380324285 /nfs/dbraw/zinc/32/42/85/380324285.db2.gz FQUWQQGYDIVECP-MSOLQXFVSA-N 2 1 272.436 3.048 20 0 CGADMP Clc1ccc([C@H]2CCC[C@@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506537 380327961 /nfs/dbraw/zinc/32/79/61/380327961.db2.gz AJXUXWHIWCMTIA-CVEARBPZSA-N 2 1 278.827 3.318 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1cc(F)ccc1F ZINC000643508111 380331684 /nfs/dbraw/zinc/33/16/84/380331684.db2.gz KYCBTHKPEOTAMA-OAHLLOKOSA-N 2 1 270.367 3.394 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2cccs2)CC[NH2+]1 ZINC000414681822 380370962 /nfs/dbraw/zinc/37/09/62/380370962.db2.gz PUTZNSIKDYZQJY-MGPQQGTHSA-N 2 1 264.438 3.273 20 0 CGADMP COc1cccc(C2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)c1 ZINC000414689085 380374463 /nfs/dbraw/zinc/37/44/63/380374463.db2.gz FOIKOJQOSBRRCB-QGZVFWFLSA-N 2 1 290.451 3.248 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000414708782 380383109 /nfs/dbraw/zinc/38/31/09/380383109.db2.gz PJSWJEYXFCGFQM-AAEUAGOBSA-N 2 1 284.806 3.299 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC23CCCCC3)CC[NH2+]1 ZINC000414736967 380389487 /nfs/dbraw/zinc/38/94/87/380389487.db2.gz GYACSVIHVTWQNO-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1csc(Cl)c1 ZINC000643521816 380337925 /nfs/dbraw/zinc/33/79/25/380337925.db2.gz CNMHEFYAXUEHDI-ONGXEEELSA-N 2 1 258.818 3.194 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000643528347 380345290 /nfs/dbraw/zinc/34/52/90/380345290.db2.gz HJSPFGIJXXXQKE-NEPJUHHUSA-N 2 1 260.406 3.413 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2CCCN3)c2ccccc21 ZINC000643532176 380346633 /nfs/dbraw/zinc/34/66/33/380346633.db2.gz AKBQIKWYIOLUOE-HKUYNNGSSA-N 2 1 293.414 3.279 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000643529925 380346645 /nfs/dbraw/zinc/34/66/45/380346645.db2.gz YGCVKWGYTUWCAX-HZMBPMFUSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000643529080 380347029 /nfs/dbraw/zinc/34/70/29/380347029.db2.gz ULKHSGAZLNRTNO-YPMHNXCESA-N 2 1 287.432 3.124 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414665018 380358936 /nfs/dbraw/zinc/35/89/36/380358936.db2.gz DGMKZBRUVOXDLA-CYBMUJFWSA-N 2 1 286.341 3.055 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546168 380360061 /nfs/dbraw/zinc/36/00/61/380360061.db2.gz JXINZNJALQJGIE-HOCLYGCPSA-N 2 1 286.419 3.165 20 0 CGADMP CC[N@H+](Cc1ccccc1C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414670671 380361588 /nfs/dbraw/zinc/36/15/88/380361588.db2.gz DPHUPSRNPIOKSQ-HZPDHXFCSA-N 2 1 260.425 3.205 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)o1 ZINC000643547957 380362689 /nfs/dbraw/zinc/36/26/89/380362689.db2.gz LGJYZJSXHBQTCP-JSGCOSHPSA-N 2 1 262.397 3.222 20 0 CGADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000414830701 380440354 /nfs/dbraw/zinc/44/03/54/380440354.db2.gz BJVCNSOGYTYQJY-RHSMWYFYSA-N 2 1 260.425 3.287 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC000414833410 380441685 /nfs/dbraw/zinc/44/16/85/380441685.db2.gz FMBVHOFZACPXTH-IAGOWNOFSA-N 2 1 292.854 3.304 20 0 CGADMP C[NH2+]CC[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000414838752 380446121 /nfs/dbraw/zinc/44/61/21/380446121.db2.gz ZKCVPGJFKSIIRF-IBGZPJMESA-N 2 1 282.431 3.040 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414853858 380455575 /nfs/dbraw/zinc/45/55/75/380455575.db2.gz UCZHYKQVSFNLNI-ZDUSSCGKSA-N 2 1 260.381 3.204 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414786431 380405156 /nfs/dbraw/zinc/40/51/56/380405156.db2.gz BDVXMFVEUJBAOH-CQSZACIVSA-N 2 1 260.381 3.068 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414789945 380406735 /nfs/dbraw/zinc/40/67/35/380406735.db2.gz GBPNIVGNQZGHPG-NSHDSACASA-N 2 1 292.757 3.014 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000414805403 380417900 /nfs/dbraw/zinc/41/79/00/380417900.db2.gz OVJGGYIMVSHQPU-UHFFFAOYSA-N 2 1 274.330 3.313 20 0 CGADMP CC(C)(C)c1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000414808244 380419724 /nfs/dbraw/zinc/41/97/24/380419724.db2.gz SBKWJMPPISOQHB-AAEUAGOBSA-N 2 1 281.469 3.048 20 0 CGADMP CCSc1cccc(C[NH2+]CC([NH3+])(CC)CC)c1 ZINC000414808881 380420910 /nfs/dbraw/zinc/42/09/10/380420910.db2.gz LDOBSVZDCFXQKW-UHFFFAOYSA-N 2 1 266.454 3.406 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000414808361 380421065 /nfs/dbraw/zinc/42/10/65/380421065.db2.gz SGHIIMMBFXRRQI-INIZCTEOSA-N 2 1 272.417 3.242 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414948867 380502440 /nfs/dbraw/zinc/50/24/40/380502440.db2.gz YJZDGWJATFZASG-LEWSCRJBSA-N 2 1 286.341 3.278 20 0 CGADMP Clc1csc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414861653 380461961 /nfs/dbraw/zinc/46/19/61/380461961.db2.gz SQBAKGXTBAFWNB-UHFFFAOYSA-N 2 1 295.839 3.066 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414872927 380468828 /nfs/dbraw/zinc/46/88/28/380468828.db2.gz GOXXWYQXYHBPBB-UHFFFAOYSA-N 2 1 296.414 3.333 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000414902434 380481793 /nfs/dbraw/zinc/48/17/93/380481793.db2.gz YGKNFEYXXDTCRN-GOSISDBHSA-N 2 1 282.387 3.306 20 0 CGADMP C[N@@H+](CCC1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354876522 380563137 /nfs/dbraw/zinc/56/31/37/380563137.db2.gz GEEAIAPKXJTQLF-UHFFFAOYSA-N 2 1 273.424 3.030 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CC5)[C@H]3C2)cc1 ZINC000417345276 380601622 /nfs/dbraw/zinc/60/16/22/380601622.db2.gz XLTOFLZBPIBJBM-RDGPPVDQSA-N 2 1 296.458 3.287 20 0 CGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420301624 380843879 /nfs/dbraw/zinc/84/38/79/380843879.db2.gz LSEWHNBGSMWUMQ-CHWSQXEVSA-N 2 1 294.389 3.274 20 0 CGADMP c1cc2[nH+]ccc(N3CCC([C@@H]4CC[NH2+]C4)CC3)c2s1 ZINC000420270454 380845801 /nfs/dbraw/zinc/84/58/01/380845801.db2.gz YXNXNXPSIQUZPI-CYBMUJFWSA-N 2 1 287.432 3.122 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000420317576 380847505 /nfs/dbraw/zinc/84/75/05/380847505.db2.gz VEPOGPKMCBJQJR-MLGOLLRUSA-N 2 1 278.827 3.388 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000420317574 380847988 /nfs/dbraw/zinc/84/79/88/380847988.db2.gz VEPOGPKMCBJQJR-BLLLJJGKSA-N 2 1 278.827 3.388 20 0 CGADMP Clc1ccc2c(c1Cl)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000420310012 380848532 /nfs/dbraw/zinc/84/85/32/380848532.db2.gz URXVDVZIOBFVAP-NSHDSACASA-N 2 1 299.245 3.351 20 0 CGADMP CCN1CCC([N@@H+](C)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000357009048 380985831 /nfs/dbraw/zinc/98/58/31/380985831.db2.gz QZMLPOGWOSRBLT-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000357009048 380985834 /nfs/dbraw/zinc/98/58/34/380985834.db2.gz QZMLPOGWOSRBLT-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000357009048 380985839 /nfs/dbraw/zinc/98/58/39/380985839.db2.gz QZMLPOGWOSRBLT-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(C)n1 ZINC000421391722 380936425 /nfs/dbraw/zinc/93/64/25/380936425.db2.gz WRSWVYSQQIVGRY-UHFFFAOYSA-N 2 1 275.440 3.051 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CCOCC[NH3+])CC(C)C ZINC000357086034 381024437 /nfs/dbraw/zinc/02/44/37/381024437.db2.gz RFKIORXQGVEJKA-QGZVFWFLSA-N 2 1 278.440 3.071 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000357310847 381102115 /nfs/dbraw/zinc/10/21/15/381102115.db2.gz UDUWYDXNDULUMA-CYBMUJFWSA-N 2 1 281.831 3.212 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000360275444 381504044 /nfs/dbraw/zinc/50/40/44/381504044.db2.gz RHWMKJQAECRZTE-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C(C[N@@H+](CC1CC1)CC1CCC1)C[NH+]1CCCCC1 ZINC000361553748 381799888 /nfs/dbraw/zinc/79/98/88/381799888.db2.gz QQSBCHJAENFXBF-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000227058007 542292008 /nfs/dbraw/zinc/29/20/08/542292008.db2.gz FWUSCZNFUZWDOF-TWMKSMIVSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC(C)C)cc2)CC[C@H]1[NH3+] ZINC000251555166 542346791 /nfs/dbraw/zinc/34/67/91/542346791.db2.gz BGZAQMOWABLHES-NVXWUHKLSA-N 2 1 276.424 3.033 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000251713608 542347067 /nfs/dbraw/zinc/34/70/67/542347067.db2.gz JQYNMCPCDJRHMO-UEKVPHQBSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000251713608 542347072 /nfs/dbraw/zinc/34/70/72/542347072.db2.gz JQYNMCPCDJRHMO-UEKVPHQBSA-N 2 1 268.351 3.085 20 0 CGADMP c1ccc(SCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252458027 542350288 /nfs/dbraw/zinc/35/02/88/542350288.db2.gz FYAOAOBGUVRTPH-NVXWUHKLSA-N 2 1 290.476 3.243 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252723138 542350921 /nfs/dbraw/zinc/35/09/21/542350921.db2.gz STTWAAKSLLRSKK-FUHWJXTLSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1ccncc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000280910427 195025412 /nfs/dbraw/zinc/02/54/12/195025412.db2.gz PATLIIHWRSGLTB-UHFFFAOYSA-N 2 1 287.451 3.134 20 0 CGADMP CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000353747265 220301648 /nfs/dbraw/zinc/30/16/48/220301648.db2.gz FLUHAULFKZBSNM-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000353747265 220301652 /nfs/dbraw/zinc/30/16/52/220301652.db2.gz FLUHAULFKZBSNM-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000353747265 220301654 /nfs/dbraw/zinc/30/16/54/220301654.db2.gz FLUHAULFKZBSNM-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000353747265 220301660 /nfs/dbraw/zinc/30/16/60/220301660.db2.gz FLUHAULFKZBSNM-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770428 220319599 /nfs/dbraw/zinc/31/95/99/220319599.db2.gz UQXLFBPVCRVMMA-HOCLYGCPSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770428 220319604 /nfs/dbraw/zinc/31/96/04/220319604.db2.gz UQXLFBPVCRVMMA-HOCLYGCPSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770428 220319606 /nfs/dbraw/zinc/31/96/06/220319606.db2.gz UQXLFBPVCRVMMA-HOCLYGCPSA-N 2 1 285.435 3.473 20 0 CGADMP C[NH+](C)CC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000350148523 218993794 /nfs/dbraw/zinc/99/37/94/218993794.db2.gz RUZWYPNEOYVUES-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCCc2cnccc2C)CC1 ZINC000289077998 197229522 /nfs/dbraw/zinc/22/95/22/197229522.db2.gz KHKSAHGEGIUVQC-UHFFFAOYSA-N 2 1 289.467 3.129 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000449065454 285192051 /nfs/dbraw/zinc/19/20/51/285192051.db2.gz UOMMHJMESUUUIJ-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP COC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446750209 285234939 /nfs/dbraw/zinc/23/49/39/285234939.db2.gz FWSWJRNSBYZCBN-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423457101 533189320 /nfs/dbraw/zinc/18/93/20/533189320.db2.gz FJBJXSMSLQVEKR-CLCXKQKWSA-N 2 1 298.430 3.304 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000335839011 542471891 /nfs/dbraw/zinc/47/18/91/542471891.db2.gz FUYSUJQRSMJMEN-LEOMRAHMSA-N 2 1 288.410 3.420 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337336281 542480199 /nfs/dbraw/zinc/48/01/99/542480199.db2.gz LZRBOMKRJUWLON-XYJFISCASA-N 2 1 289.467 3.428 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000353464363 542556873 /nfs/dbraw/zinc/55/68/73/542556873.db2.gz UKRFMKYMMIBFNQ-CQSZACIVSA-N 2 1 286.423 3.102 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+][C@H](C[NH3+])C3CC3)ccc2c1 ZINC000423285840 533337202 /nfs/dbraw/zinc/33/72/02/533337202.db2.gz YVRQZAZACJYMJY-KPZWWZAWSA-N 2 1 284.403 3.236 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+]CC3([NH3+])CCC3)c(C)c2c1 ZINC000423321309 533357022 /nfs/dbraw/zinc/35/70/22/533357022.db2.gz HAZAYQHSDFODKN-GFCCVEGCSA-N 2 1 288.391 3.282 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)c(Cl)c1 ZINC000423527400 533384769 /nfs/dbraw/zinc/38/47/69/533384769.db2.gz MIDQFZNGKVRMFW-SNVBAGLBSA-N 2 1 270.779 3.272 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc2ccccc2o1 ZINC000423366355 533524593 /nfs/dbraw/zinc/52/45/93/533524593.db2.gz CMEQHIYTDLGMGS-YRGRVCCFSA-N 2 1 258.365 3.224 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1N(C)C ZINC000423530579 533510547 /nfs/dbraw/zinc/51/05/47/533510547.db2.gz PTBHHWSEMOFRAT-WBMJQRKESA-N 2 1 293.430 3.060 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)c(F)c1 ZINC000423503507 533536672 /nfs/dbraw/zinc/53/66/72/533536672.db2.gz FVWXQEXKUJGZTC-MEBBXXQBSA-N 2 1 268.351 3.133 20 0 CGADMP C[C@@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H](C)[NH3+] ZINC000423446141 533537708 /nfs/dbraw/zinc/53/77/08/533537708.db2.gz NZZLZTJDVYGDLP-RBZYPMLTSA-N 2 1 286.341 3.482 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423307666 533542785 /nfs/dbraw/zinc/54/27/85/533542785.db2.gz WHAGKOFDPPVQLB-JMSVASOKSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cs1 ZINC000449038023 533626879 /nfs/dbraw/zinc/62/68/79/533626879.db2.gz QXUIFLPCDSDNOE-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cs1 ZINC000449038023 533626887 /nfs/dbraw/zinc/62/68/87/533626887.db2.gz QXUIFLPCDSDNOE-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cs1 ZINC000449038023 533626892 /nfs/dbraw/zinc/62/68/92/533626892.db2.gz QXUIFLPCDSDNOE-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cs1 ZINC000449038023 533626898 /nfs/dbraw/zinc/62/68/98/533626898.db2.gz QXUIFLPCDSDNOE-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380512921 542595015 /nfs/dbraw/zinc/59/50/15/542595015.db2.gz ZVLOISLXPRPJGN-FFSVYQOJSA-N 2 1 280.362 3.087 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380512921 542595019 /nfs/dbraw/zinc/59/50/19/542595019.db2.gz ZVLOISLXPRPJGN-FFSVYQOJSA-N 2 1 280.362 3.087 20 0 CGADMP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000390760523 542610880 /nfs/dbraw/zinc/61/08/80/542610880.db2.gz ZHNYIJGNVXPYIB-GOSISDBHSA-N 2 1 295.430 3.136 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649319 391982575 /nfs/dbraw/zinc/98/25/75/391982575.db2.gz JKIIKXASMVTAQT-CABCVRRESA-N 2 1 258.409 3.130 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000050569060 392064842 /nfs/dbraw/zinc/06/48/42/392064842.db2.gz LKVJCFAEYVHHJE-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000050569060 392064845 /nfs/dbraw/zinc/06/48/45/392064845.db2.gz LKVJCFAEYVHHJE-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000059639700 392120844 /nfs/dbraw/zinc/12/08/44/392120844.db2.gz BCYADONWLLVIGR-CYBMUJFWSA-N 2 1 295.496 3.261 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000059639700 392120851 /nfs/dbraw/zinc/12/08/51/392120851.db2.gz BCYADONWLLVIGR-CYBMUJFWSA-N 2 1 295.496 3.261 20 0 CGADMP CC(C)C1CCC([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000094010759 392241068 /nfs/dbraw/zinc/24/10/68/392241068.db2.gz AEYNQSWBOSGOGP-UHFFFAOYSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CCO1 ZINC000070345378 392181161 /nfs/dbraw/zinc/18/11/61/392181161.db2.gz RCZNTONXMPYJSO-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)oc1C ZINC000281963445 392263761 /nfs/dbraw/zinc/26/37/61/392263761.db2.gz BCBMXKNEFYTQCC-TZMCWYRMSA-N 2 1 262.397 3.031 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)oc1C ZINC000281963445 392263768 /nfs/dbraw/zinc/26/37/68/392263768.db2.gz BCBMXKNEFYTQCC-TZMCWYRMSA-N 2 1 262.397 3.031 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000108368624 392342615 /nfs/dbraw/zinc/34/26/15/392342615.db2.gz SSXCDDDRXPVZFU-UHFFFAOYSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1ccc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285505273 392324268 /nfs/dbraw/zinc/32/42/68/392324268.db2.gz NAFRSGWXYLHKPO-JWTNVVGKSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285505273 392324274 /nfs/dbraw/zinc/32/42/74/392324274.db2.gz NAFRSGWXYLHKPO-JWTNVVGKSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285505273 392324277 /nfs/dbraw/zinc/32/42/77/392324277.db2.gz NAFRSGWXYLHKPO-JWTNVVGKSA-N 2 1 272.436 3.095 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000245694093 131087294 /nfs/dbraw/zinc/08/72/94/131087294.db2.gz QOYRPELLGPSYER-UBDQQSCGSA-N 2 1 272.436 3.110 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000249374732 131121683 /nfs/dbraw/zinc/12/16/83/131121683.db2.gz HUOZIXJNPNZSRC-WFASDCNBSA-N 2 1 294.439 3.294 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000249372146 131121996 /nfs/dbraw/zinc/12/19/96/131121996.db2.gz DBNLRYKVXFWCIJ-CHWSQXEVSA-N 2 1 252.427 3.049 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453291615 542681037 /nfs/dbraw/zinc/68/10/37/542681037.db2.gz MEXMMDRWHKWDIO-XYPHTWIQSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453291615 542681042 /nfs/dbraw/zinc/68/10/42/542681042.db2.gz MEXMMDRWHKWDIO-XYPHTWIQSA-N 2 1 258.409 3.210 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000453392842 542682394 /nfs/dbraw/zinc/68/23/94/542682394.db2.gz URLXXVCVESELBD-VJANTYMQSA-N 2 1 284.447 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000453392842 542682396 /nfs/dbraw/zinc/68/23/96/542682396.db2.gz URLXXVCVESELBD-VJANTYMQSA-N 2 1 284.447 3.458 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000126310700 392442039 /nfs/dbraw/zinc/44/20/39/392442039.db2.gz SJNSKLSUPMPVCB-RDJZCZTQSA-N 2 1 272.436 3.181 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2cccnc21 ZINC000290609607 392452600 /nfs/dbraw/zinc/45/26/00/392452600.db2.gz WKJVPHSCWHGZQT-WMLDXEAASA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2cccnc21 ZINC000290609607 392452606 /nfs/dbraw/zinc/45/26/06/392452606.db2.gz WKJVPHSCWHGZQT-WMLDXEAASA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2cccnc21 ZINC000290609607 392452608 /nfs/dbraw/zinc/45/26/08/392452608.db2.gz WKJVPHSCWHGZQT-WMLDXEAASA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2cccnc21 ZINC000290609607 392452616 /nfs/dbraw/zinc/45/26/16/392452616.db2.gz WKJVPHSCWHGZQT-WMLDXEAASA-N 2 1 283.419 3.007 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000362104232 392406497 /nfs/dbraw/zinc/40/64/97/392406497.db2.gz XBTLVWQMQOKCTG-SFHVURJKSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000362104232 392406502 /nfs/dbraw/zinc/40/65/02/392406502.db2.gz XBTLVWQMQOKCTG-SFHVURJKSA-N 2 1 283.419 3.245 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)CC[N@H+]1C ZINC000153397060 392517050 /nfs/dbraw/zinc/51/70/50/392517050.db2.gz IQNGHSCNTPBNOK-BEFAXECRSA-N 2 1 295.430 3.321 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000151917846 392489698 /nfs/dbraw/zinc/48/96/98/392489698.db2.gz MZKLIDHCJIBSDM-NSHDSACASA-N 2 1 269.458 3.177 20 0 CGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CC)CC2)cs1 ZINC000161786163 392585706 /nfs/dbraw/zinc/58/57/06/392585706.db2.gz XGVLFTFBVPIVKD-CYBMUJFWSA-N 2 1 295.496 3.306 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000372528521 392618371 /nfs/dbraw/zinc/61/83/71/392618371.db2.gz BQTNPTZDPMTPQR-BMGDILEWSA-N 2 1 283.419 3.363 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000166393245 392608776 /nfs/dbraw/zinc/60/87/76/392608776.db2.gz IAUWAJQRCDQRFA-JKIFEVAISA-N 2 1 272.436 3.481 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000166393245 392608779 /nfs/dbraw/zinc/60/87/79/392608779.db2.gz IAUWAJQRCDQRFA-JKIFEVAISA-N 2 1 272.436 3.481 20 0 CGADMP CCSCC[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000372458520 392612997 /nfs/dbraw/zinc/61/29/97/392612997.db2.gz RDCSDYNGGZGEEW-UKRRQHHQSA-N 2 1 298.521 3.474 20 0 CGADMP CCSCC[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000372458520 392613001 /nfs/dbraw/zinc/61/30/01/392613001.db2.gz RDCSDYNGGZGEEW-UKRRQHHQSA-N 2 1 298.521 3.474 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccncc1 ZINC000647282313 392635352 /nfs/dbraw/zinc/63/53/52/392635352.db2.gz NPHOOVNRFXPTEE-QAPCUYQASA-N 2 1 287.451 3.243 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343354 392692211 /nfs/dbraw/zinc/69/22/11/392692211.db2.gz MUDUEAAQUAJWMX-ATLSCFEFSA-N 2 1 274.452 3.356 20 0 CGADMP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480324 392734797 /nfs/dbraw/zinc/73/47/97/392734797.db2.gz JRHSKLAQZJZHGM-LPHCZKTPSA-N 2 1 288.410 3.303 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480324 392734804 /nfs/dbraw/zinc/73/48/04/392734804.db2.gz JRHSKLAQZJZHGM-LPHCZKTPSA-N 2 1 288.410 3.303 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000647479692 392735454 /nfs/dbraw/zinc/73/54/54/392735454.db2.gz PVEXZQXAWFTLQV-UWWQBHOKSA-N 2 1 290.426 3.393 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC[C@H]1[NH3+] ZINC000647498265 392742471 /nfs/dbraw/zinc/74/24/71/392742471.db2.gz DHUBAMACWOOYBM-RRFJBIMHSA-N 2 1 252.446 3.262 20 0 CGADMP c1ccc2oc([C@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000647513614 392745922 /nfs/dbraw/zinc/74/59/22/392745922.db2.gz PLRQGKWFQYEOFZ-GJZGRUSLSA-N 2 1 299.418 3.007 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542834 392760223 /nfs/dbraw/zinc/76/02/23/392760223.db2.gz COKGDFHPNRDVOW-HOTGVXAUSA-N 2 1 276.399 3.037 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1 ZINC000334991957 392760773 /nfs/dbraw/zinc/76/07/73/392760773.db2.gz DWRMJKFRRUYTOP-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543638 392760974 /nfs/dbraw/zinc/76/09/74/392760974.db2.gz QTJYAZQHMQKHPF-FQMXMGHCSA-N 2 1 284.447 3.411 20 0 CGADMP CC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000181117917 392720139 /nfs/dbraw/zinc/72/01/39/392720139.db2.gz JDJGZGYEJXBGTH-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647937317 392839994 /nfs/dbraw/zinc/83/99/94/392839994.db2.gz VTMCJWJNGAECFT-LYRGGWFBSA-N 2 1 282.378 3.475 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647937317 392840000 /nfs/dbraw/zinc/84/00/00/392840000.db2.gz VTMCJWJNGAECFT-LYRGGWFBSA-N 2 1 282.378 3.475 20 0 CGADMP COc1ccc([C@H]2CCCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647873531 392818804 /nfs/dbraw/zinc/81/88/04/392818804.db2.gz WPALZODPWWAILF-MAUKXSAKSA-N 2 1 288.435 3.222 20 0 CGADMP c1csc(C[NH+](Cc2cccs2)C[C@@H]2CC[NH2+]C2)c1 ZINC000647872635 392819172 /nfs/dbraw/zinc/81/91/72/392819172.db2.gz LCHIUSBHUYYTAI-CYBMUJFWSA-N 2 1 292.473 3.421 20 0 CGADMP FC(F)(F)c1ccccc1C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647874994 392821018 /nfs/dbraw/zinc/82/10/18/392821018.db2.gz PPAZQXFTBUZMCT-LBPRGKRZSA-N 2 1 298.352 3.279 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000647883311 392824825 /nfs/dbraw/zinc/82/48/25/392824825.db2.gz DBJCNESDHGUICL-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000647881546 392825054 /nfs/dbraw/zinc/82/50/54/392825054.db2.gz GGDROQMEVOJUMK-UONOGXRCSA-N 2 1 272.392 3.425 20 0 CGADMP CCCO[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000647884607 392826606 /nfs/dbraw/zinc/82/66/06/392826606.db2.gz NIYDYRLUGFXQSG-KRWDZBQOSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647884939 392827125 /nfs/dbraw/zinc/82/71/25/392827125.db2.gz OFPZVMJLNUQYRI-NVXWUHKLSA-N 2 1 258.409 3.132 20 0 CGADMP Fc1cccc(CC[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647891623 392828678 /nfs/dbraw/zinc/82/86/78/392828678.db2.gz YNVWWKKJYWYZAK-INIZCTEOSA-N 2 1 290.426 3.222 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C)([NH3+])CC2)c1C ZINC000647926846 392835703 /nfs/dbraw/zinc/83/57/03/392835703.db2.gz OOHFPUPHMVMPAJ-UHFFFAOYSA-N 2 1 288.435 3.128 20 0 CGADMP CC(C)[NH+](C/C=C/C[N@H+](C(C)C)C1CC1)C1CC1 ZINC000194138118 392904363 /nfs/dbraw/zinc/90/43/63/392904363.db2.gz XYVNHLLQGOWYGA-AATRIKPKSA-N 2 1 250.430 3.288 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381500832 392909589 /nfs/dbraw/zinc/90/95/89/392909589.db2.gz JDLIITIGFKIPSN-PRXYFPRHSA-N 2 1 264.457 3.133 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647978427 392855915 /nfs/dbraw/zinc/85/59/15/392855915.db2.gz RQEFYHJEFOSINO-SJORKVTESA-N 2 1 292.492 3.392 20 0 CGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647990199 392858402 /nfs/dbraw/zinc/85/84/02/392858402.db2.gz FAFROCONCXZGIY-ZOBUZTSGSA-N 2 1 288.435 3.078 20 0 CGADMP Cc1ncsc1C[N@@H+](CCCC(C)C)C[C@H]1CC[NH2+]C1 ZINC000339415362 392955816 /nfs/dbraw/zinc/95/58/16/392955816.db2.gz RGCAYKAYLWYFKB-HNNXBMFYSA-N 2 1 295.496 3.299 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000339440076 392956592 /nfs/dbraw/zinc/95/65/92/392956592.db2.gz XKAZXYWXHCZKQE-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000339440076 392956602 /nfs/dbraw/zinc/95/66/02/392956602.db2.gz XKAZXYWXHCZKQE-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000339440076 392956605 /nfs/dbraw/zinc/95/66/05/392956605.db2.gz XKAZXYWXHCZKQE-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)O[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1(C)C ZINC000462816017 392968919 /nfs/dbraw/zinc/96/89/19/392968919.db2.gz ZPGIFAFRKOULAX-CABCVRRESA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000341397173 392986854 /nfs/dbraw/zinc/98/68/54/392986854.db2.gz NFDJKXVLWTXHTE-BLYZHGLHSA-N 2 1 292.389 3.427 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224110576 393011321 /nfs/dbraw/zinc/01/13/21/393011321.db2.gz HFIFBXQSNJZNCS-RWMBFGLXSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224110576 393011329 /nfs/dbraw/zinc/01/13/29/393011329.db2.gz HFIFBXQSNJZNCS-RWMBFGLXSA-N 2 1 252.427 3.190 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000226539462 393015333 /nfs/dbraw/zinc/01/53/33/393015333.db2.gz LUGLQSDIIPGQHP-SDDRHHMPSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000226539462 393015338 /nfs/dbraw/zinc/01/53/38/393015338.db2.gz LUGLQSDIIPGQHP-SDDRHHMPSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000415011550 393095298 /nfs/dbraw/zinc/09/52/98/393095298.db2.gz QRYBHKIATBRODP-RYUDHWBXSA-N 2 1 260.406 3.240 20 0 CGADMP Clc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415041463 393109301 /nfs/dbraw/zinc/10/93/01/393109301.db2.gz LKYSMLFDDDYJKA-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415041463 393109307 /nfs/dbraw/zinc/10/93/07/393109307.db2.gz LKYSMLFDDDYJKA-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP C(C1CC1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000346848728 393096696 /nfs/dbraw/zinc/09/66/96/393096696.db2.gz QPSPAIYRXAPDDL-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000344221574 393039324 /nfs/dbraw/zinc/03/93/24/393039324.db2.gz MXGAAQTYFMJNRV-OWCLPIDISA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000344221574 393039330 /nfs/dbraw/zinc/03/93/30/393039330.db2.gz MXGAAQTYFMJNRV-OWCLPIDISA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000414193783 393044062 /nfs/dbraw/zinc/04/40/62/393044062.db2.gz UVKLIHZAOBFUJJ-VDHUWJSZSA-N 2 1 286.463 3.499 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000414692207 393052378 /nfs/dbraw/zinc/05/23/78/393052378.db2.gz KJBYCBFNRNBWEU-STQMWFEESA-N 2 1 278.827 3.086 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC000414748083 393054963 /nfs/dbraw/zinc/05/49/63/393054963.db2.gz VYHZZGIQXNABNF-QWHCGFSZSA-N 2 1 278.827 3.086 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC000546626616 393061182 /nfs/dbraw/zinc/06/11/82/393061182.db2.gz YFVGLUWNMAKCSX-QKGUJMCYSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC000546626616 393061188 /nfs/dbraw/zinc/06/11/88/393061188.db2.gz YFVGLUWNMAKCSX-QKGUJMCYSA-N 2 1 272.436 3.251 20 0 CGADMP CCC(CC)(CC)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415045923 393110780 /nfs/dbraw/zinc/11/07/80/393110780.db2.gz BZNLNLYDHUTBIZ-UHFFFAOYSA-N 2 1 295.515 3.009 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000348089287 393112525 /nfs/dbraw/zinc/11/25/25/393112525.db2.gz SXWWWMQLVYLOPI-HUUCEWRRSA-N 2 1 250.430 3.028 20 0 CGADMP Clc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052239 393114840 /nfs/dbraw/zinc/11/48/40/393114840.db2.gz MVUWBNHXNMKNPJ-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052239 393114849 /nfs/dbraw/zinc/11/48/49/393114849.db2.gz MVUWBNHXNMKNPJ-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000415057250 393119464 /nfs/dbraw/zinc/11/94/64/393119464.db2.gz ROGPJHCKGXMBPL-LBPRGKRZSA-N 2 1 290.329 3.048 20 0 CGADMP C[C@@H]1CC[C@H](C)[NH+]1C/C=C\C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000255479170 393132382 /nfs/dbraw/zinc/13/23/82/393132382.db2.gz BZNJQNVABVJJDU-CRNKYXIYSA-N 2 1 250.430 3.288 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccnc1 ZINC000415079112 393132482 /nfs/dbraw/zinc/13/24/82/393132482.db2.gz HHKATQZIWGKGBG-JCGIZDLHSA-N 2 1 281.403 3.226 20 0 CGADMP CC(C)(C)[NH2+]CC[NH2+]CC(C)(C)Cc1ccccc1 ZINC000415082887 393137236 /nfs/dbraw/zinc/13/72/36/393137236.db2.gz MOIUPJLTEIGHJO-UHFFFAOYSA-N 2 1 262.441 3.233 20 0 CGADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000415104073 393147063 /nfs/dbraw/zinc/14/70/63/393147063.db2.gz DMJAPKDXDGGKPG-RCCFBDPRSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C[C@H]1C[NH3+] ZINC000415124441 393151618 /nfs/dbraw/zinc/15/16/18/393151618.db2.gz KFCPDGOWVAIWSX-TZMCWYRMSA-N 2 1 274.433 3.318 20 0 CGADMP CSCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269041949 393219062 /nfs/dbraw/zinc/21/90/62/393219062.db2.gz VNUGQLCSODYYCD-WBVHZDCISA-N 2 1 292.492 3.240 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269041939 393219256 /nfs/dbraw/zinc/21/92/56/393219256.db2.gz VNUGQLCSODYYCD-DOTOQJQBSA-N 2 1 292.492 3.240 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646138306 393224548 /nfs/dbraw/zinc/22/45/48/393224548.db2.gz BCXMEYYLPJGIJV-INIZCTEOSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000646138306 393224553 /nfs/dbraw/zinc/22/45/53/393224553.db2.gz BCXMEYYLPJGIJV-INIZCTEOSA-N 2 1 261.413 3.236 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC000469613154 393203718 /nfs/dbraw/zinc/20/37/18/393203718.db2.gz JBLKCSMDGJFZCZ-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCc1cccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC000469613154 393203723 /nfs/dbraw/zinc/20/37/23/393203723.db2.gz JBLKCSMDGJFZCZ-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(C)ccc23)[C@@H](C)C1 ZINC000268822702 393204468 /nfs/dbraw/zinc/20/44/68/393204468.db2.gz PVBWXEHKKYIVOZ-YJBOKZPZSA-N 2 1 299.462 3.339 20 0 CGADMP CCSc1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000471962898 393322694 /nfs/dbraw/zinc/32/26/94/393322694.db2.gz AWNQCEQODRFATK-UHFFFAOYSA-N 2 1 280.481 3.476 20 0 CGADMP CCSCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272381739 393260770 /nfs/dbraw/zinc/26/07/70/393260770.db2.gz BWPDUEMDMBRZIO-DOTOQJQBSA-N 2 1 292.492 3.240 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000482558443 393439692 /nfs/dbraw/zinc/43/96/92/393439692.db2.gz SXINJCKCTUDALT-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000482558443 393439695 /nfs/dbraw/zinc/43/96/95/393439695.db2.gz SXINJCKCTUDALT-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)C[NH+](C)C ZINC000425943174 393445816 /nfs/dbraw/zinc/44/58/16/393445816.db2.gz IHNKKJBDTMTWHJ-WFASDCNBSA-N 2 1 296.842 3.341 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294941 393451377 /nfs/dbraw/zinc/45/13/77/393451377.db2.gz BOFUIUKPEXWANU-HLLBOEOZSA-N 2 1 290.426 3.393 20 0 CGADMP CC1CCC([N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)CC1 ZINC000420294218 393451675 /nfs/dbraw/zinc/45/16/75/393451675.db2.gz AZDQXGYFGQDVBZ-FPQWYMTMSA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC2CCC2)cc1 ZINC000420298329 393452799 /nfs/dbraw/zinc/45/27/99/393452799.db2.gz DZBZTTKAPUAALI-INIZCTEOSA-N 2 1 272.436 3.288 20 0 CGADMP CC[N@@H+](CCCc1ccsc1)[C@H]1CCC[NH2+]CC1 ZINC000420305194 393457696 /nfs/dbraw/zinc/45/76/96/393457696.db2.gz GEVQUAKSTQEPLB-HNNXBMFYSA-N 2 1 266.454 3.145 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420311418 393458863 /nfs/dbraw/zinc/45/88/63/393458863.db2.gz HBVLPPMTQVBABH-GXTWGEPZSA-N 2 1 281.469 3.142 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420310915 393459180 /nfs/dbraw/zinc/45/91/80/393459180.db2.gz VJTKWDVPJIRDIT-CKEIUWERSA-N 2 1 276.399 3.208 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C2CCCCC2)cc1 ZINC000420317147 393462757 /nfs/dbraw/zinc/46/27/57/393462757.db2.gz NJNYIISSKAZFFK-OAHLLOKOSA-N 2 1 276.424 3.002 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000420317065 393462993 /nfs/dbraw/zinc/46/29/93/393462993.db2.gz MXNLIRXWOYYLMG-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH2+]C)c1ccc(F)cc1F ZINC000420409737 393484292 /nfs/dbraw/zinc/48/42/92/393484292.db2.gz QRBUSAKYXUEQLA-AWEZNQCLSA-N 2 1 256.340 3.005 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000420316822 393464041 /nfs/dbraw/zinc/46/40/41/393464041.db2.gz MJOFPHIOCWGNGZ-STQMWFEESA-N 2 1 281.469 3.006 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420322831 393466741 /nfs/dbraw/zinc/46/67/41/393466741.db2.gz SNHRMHFCVMOOJI-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2CC(C)C)cc1 ZINC000420326258 393467183 /nfs/dbraw/zinc/46/71/83/393467183.db2.gz XBYAPQOGWKMASI-DLBZAZTESA-N 2 1 290.451 3.248 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420327267 393467794 /nfs/dbraw/zinc/46/77/94/393467794.db2.gz YBENZHGSOYOTDY-NVXWUHKLSA-N 2 1 258.409 3.132 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]([C@@H](C)C2CC2)C2CC2)cc1 ZINC000420326775 393468878 /nfs/dbraw/zinc/46/88/78/393468878.db2.gz XQMAIZNVKSHAJV-BBRMVZONSA-N 2 1 288.435 3.000 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346703 393472819 /nfs/dbraw/zinc/47/28/19/393472819.db2.gz XFROIECMWBWMCR-IIYDPXPESA-N 2 1 294.389 3.347 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000420366156 393476978 /nfs/dbraw/zinc/47/69/78/393476978.db2.gz FPIPULWWYAGYHZ-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420381001 393479570 /nfs/dbraw/zinc/47/95/70/393479570.db2.gz ROOCRCZHNISRGJ-WBVHZDCISA-N 2 1 258.409 3.132 20 0 CGADMP c1cc(CCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420404364 393484781 /nfs/dbraw/zinc/48/47/81/393484781.db2.gz RYIYLGVYYWXFPK-JKSUJKDBSA-N 2 1 278.465 3.145 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000420410174 393485099 /nfs/dbraw/zinc/48/50/99/393485099.db2.gz RDZIIHWGQVYWPW-ABAIWWIYSA-N 2 1 268.351 3.005 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488416894 393505215 /nfs/dbraw/zinc/50/52/15/393505215.db2.gz QZKSVLPXEVGLNX-RBSFLKMASA-N 2 1 284.513 3.228 20 0 CGADMP Cc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC000430147236 393530108 /nfs/dbraw/zinc/53/01/08/393530108.db2.gz KVVLZUGKMXIICB-GOSISDBHSA-N 2 1 272.436 3.139 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCOC1 ZINC000359950724 393557845 /nfs/dbraw/zinc/55/78/45/393557845.db2.gz UEFMYAQYVXTLIX-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@](C)(C[NH3+])C2CC2)cc1C ZINC000430569414 393577309 /nfs/dbraw/zinc/57/73/09/393577309.db2.gz IRLYMTLGBPOYLZ-INIZCTEOSA-N 2 1 278.465 3.113 20 0 CGADMP Cc1ccc(C)c(OCCC[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000430574289 393578055 /nfs/dbraw/zinc/57/80/55/393578055.db2.gz SGZNEADIMWVUOC-QGZVFWFLSA-N 2 1 278.440 3.035 20 0 CGADMP COc1cccc2c(NC[C@H](C)C[NH+](C)C)c(C)c[nH+]c12 ZINC000489010181 393570410 /nfs/dbraw/zinc/57/04/10/393570410.db2.gz KKVJBTISKIZKKP-LBPRGKRZSA-N 2 1 287.407 3.161 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000432367830 393607391 /nfs/dbraw/zinc/60/73/91/393607391.db2.gz MQFFEMJNYJGZBX-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000432367830 393607397 /nfs/dbraw/zinc/60/73/97/393607397.db2.gz MQFFEMJNYJGZBX-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418709 393611941 /nfs/dbraw/zinc/61/19/41/393611941.db2.gz UUGGZNBGFBUOTQ-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418709 393611945 /nfs/dbraw/zinc/61/19/45/393611945.db2.gz UUGGZNBGFBUOTQ-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000360943207 393620145 /nfs/dbraw/zinc/62/01/45/393620145.db2.gz SDKBLHBMVWSIFI-INIZCTEOSA-N 2 1 285.391 3.003 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cs1 ZINC000423176149 393653354 /nfs/dbraw/zinc/65/33/54/393653354.db2.gz GIALQJIHZDQALA-GFCCVEGCSA-N 2 1 252.427 3.369 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000423298628 393660054 /nfs/dbraw/zinc/66/00/54/393660054.db2.gz OXJTZQHFZKVUNO-GDBMZVCRSA-N 2 1 276.424 3.316 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423297954 393660561 /nfs/dbraw/zinc/66/05/61/393660561.db2.gz MNVPFYCSBWXCIV-XJKSGUPXSA-N 2 1 261.413 3.041 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(OC)c1 ZINC000423498462 393671474 /nfs/dbraw/zinc/67/14/74/393671474.db2.gz BCUPAQVMSIAGDW-IRXDYDNUSA-N 2 1 276.424 3.253 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000441452542 393736813 /nfs/dbraw/zinc/73/68/13/393736813.db2.gz WRIDOXOZUPCXQM-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)CC[N@H+]1C ZINC000495025782 393777071 /nfs/dbraw/zinc/77/70/71/393777071.db2.gz IDCRHYOIBMKIIL-MCIONIFRSA-N 2 1 274.399 3.274 20 0 CGADMP CCC[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000500100607 393817618 /nfs/dbraw/zinc/81/76/18/393817618.db2.gz YPTMGBOYAJEUTH-YESZJQIVSA-N 2 1 296.499 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000445857951 393832143 /nfs/dbraw/zinc/83/21/43/393832143.db2.gz AGWQQRATWKOINX-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC2(CCCC2)C1 ZINC000445857951 393832144 /nfs/dbraw/zinc/83/21/44/393832144.db2.gz AGWQQRATWKOINX-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[NH+]1CCCC1 ZINC000502269750 393871878 /nfs/dbraw/zinc/87/18/78/393871878.db2.gz PPWSJRLRUHPUBL-MWDXBVQZSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1C(C)(C)C1(C)C ZINC000449560480 393903808 /nfs/dbraw/zinc/90/38/08/393903808.db2.gz LRCBPQDXWSHKPD-RLAWYHOSSA-N 2 1 264.457 3.272 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000449783745 393944208 /nfs/dbraw/zinc/94/42/08/393944208.db2.gz RKSIQRSZVDZCTM-UHFFFAOYSA-N 2 1 274.399 3.274 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000449783745 393944210 /nfs/dbraw/zinc/94/42/10/393944210.db2.gz RKSIQRSZVDZCTM-UHFFFAOYSA-N 2 1 274.399 3.274 20 0 CGADMP CCC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000450493423 394005097 /nfs/dbraw/zinc/00/50/97/394005097.db2.gz CHPTWNXRMPSEEK-WMZOPIPTSA-N 2 1 296.499 3.124 20 0 CGADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C(C)(C)C ZINC000453062951 394157224 /nfs/dbraw/zinc/15/72/24/394157224.db2.gz RGOQJLLRLBIMFM-KRWDZBQOSA-N 2 1 297.531 3.209 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453089548 394167676 /nfs/dbraw/zinc/16/76/76/394167676.db2.gz KHUHBFUZOBZFAO-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)C1CCC1 ZINC000453102886 394171618 /nfs/dbraw/zinc/17/16/18/394171618.db2.gz VXKQERQOPQGNNM-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000453102926 394172058 /nfs/dbraw/zinc/17/20/58/394172058.db2.gz QYABTNZKJXKKMI-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000453102926 394172061 /nfs/dbraw/zinc/17/20/61/394172061.db2.gz QYABTNZKJXKKMI-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000453245150 394218082 /nfs/dbraw/zinc/21/80/82/394218082.db2.gz HYKJMCSEBDWMGK-YKWDICOMSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000453245150 394218084 /nfs/dbraw/zinc/21/80/84/394218084.db2.gz HYKJMCSEBDWMGK-YKWDICOMSA-N 2 1 290.426 3.377 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2cc(F)ccc21)C1CC1 ZINC000453389956 394227828 /nfs/dbraw/zinc/22/78/28/394227828.db2.gz COHDKQVDVXUYCI-KRWDZBQOSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000453402229 394234661 /nfs/dbraw/zinc/23/46/61/394234661.db2.gz NNCSUGTYWFBFEQ-QGZVFWFLSA-N 2 1 276.399 3.277 20 0 CGADMP CC(C)C(C[NH2+]CCCC[N@@H+](C)C1CC1)C(C)C ZINC000453597890 394253485 /nfs/dbraw/zinc/25/34/85/394253485.db2.gz OOXSDCGWQBQHFM-UHFFFAOYSA-N 2 1 254.462 3.379 20 0 CGADMP Cc1cccc(C[NH2+]CCCC[N@H+](C)C2CC2)c1F ZINC000453603352 394255302 /nfs/dbraw/zinc/25/53/02/394255302.db2.gz XTJMQPGBXDKLNE-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)[nH]c2c1 ZINC000667517853 542883063 /nfs/dbraw/zinc/88/30/63/542883063.db2.gz HPMGSRPHCLABNR-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)[nH]c2c1 ZINC000667517853 542883064 /nfs/dbraw/zinc/88/30/64/542883064.db2.gz HPMGSRPHCLABNR-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1ccc2cc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)[nH]c2c1 ZINC000667517853 542883067 /nfs/dbraw/zinc/88/30/67/542883067.db2.gz HPMGSRPHCLABNR-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1ccc2cc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)[nH]c2c1 ZINC000667517853 542883068 /nfs/dbraw/zinc/88/30/68/542883068.db2.gz HPMGSRPHCLABNR-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)[nH]c2c1 ZINC000667663746 542910782 /nfs/dbraw/zinc/91/07/82/542910782.db2.gz VMLDGISBVUNTGR-MRXNPFEDSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)[nH]c2c1 ZINC000667663746 542910785 /nfs/dbraw/zinc/91/07/85/542910785.db2.gz VMLDGISBVUNTGR-MRXNPFEDSA-N 2 1 297.446 3.394 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc3ccncc3s2)C1 ZINC000667681730 542915607 /nfs/dbraw/zinc/91/56/07/542915607.db2.gz PTCWFYQOVYMHIO-CYBMUJFWSA-N 2 1 289.448 3.070 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667681730 542915611 /nfs/dbraw/zinc/91/56/11/542915611.db2.gz PTCWFYQOVYMHIO-CYBMUJFWSA-N 2 1 289.448 3.070 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667681730 542915614 /nfs/dbraw/zinc/91/56/14/542915614.db2.gz PTCWFYQOVYMHIO-CYBMUJFWSA-N 2 1 289.448 3.070 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667681730 542915616 /nfs/dbraw/zinc/91/56/16/542915616.db2.gz PTCWFYQOVYMHIO-CYBMUJFWSA-N 2 1 289.448 3.070 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667681730 542915619 /nfs/dbraw/zinc/91/56/19/542915619.db2.gz PTCWFYQOVYMHIO-CYBMUJFWSA-N 2 1 289.448 3.070 20 0 CGADMP CCCCO[C@H]1C[C@@H](N(C)Cc2cnc(C)n2C)C1(C)C ZINC000667691979 542918323 /nfs/dbraw/zinc/91/83/23/542918323.db2.gz UVFRMIJPGJXHDY-CVEARBPZSA-N 2 1 293.455 3.144 20 0 CGADMP C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccnn1-c1ccncc1 ZINC000668063931 542964103 /nfs/dbraw/zinc/96/41/03/542964103.db2.gz AHQQBYNOUIGFDV-AWEZNQCLSA-N 2 1 282.391 3.032 20 0 CGADMP C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668063931 542964109 /nfs/dbraw/zinc/96/41/09/542964109.db2.gz AHQQBYNOUIGFDV-AWEZNQCLSA-N 2 1 282.391 3.032 20 0 CGADMP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]2CCC[C@H]21 ZINC000668196583 542987746 /nfs/dbraw/zinc/98/77/46/542987746.db2.gz PYYHVNPIFIAIAX-IAGOWNOFSA-N 2 1 296.418 3.278 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]2CCC[C@H]21 ZINC000668196583 542987748 /nfs/dbraw/zinc/98/77/48/542987748.db2.gz PYYHVNPIFIAIAX-IAGOWNOFSA-N 2 1 296.418 3.278 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@H]3C)[nH]c2c1 ZINC000668172264 542981114 /nfs/dbraw/zinc/98/11/14/542981114.db2.gz ITPDTVYHQVQAGR-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@H]3C)[nH]c2c1 ZINC000668172264 542981117 /nfs/dbraw/zinc/98/11/17/542981117.db2.gz ITPDTVYHQVQAGR-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)[nH]c2c1 ZINC000668172264 542981120 /nfs/dbraw/zinc/98/11/20/542981120.db2.gz ITPDTVYHQVQAGR-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)[nH]c2c1 ZINC000668172264 542981122 /nfs/dbraw/zinc/98/11/22/542981122.db2.gz ITPDTVYHQVQAGR-RDTXWAMCSA-N 2 1 285.435 3.248 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC000670264819 543147243 /nfs/dbraw/zinc/14/72/43/543147243.db2.gz GTFUPHZDEXMXHQ-KFWWJZLASA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC000670264819 543147246 /nfs/dbraw/zinc/14/72/46/543147246.db2.gz GTFUPHZDEXMXHQ-KFWWJZLASA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC000670264819 543147248 /nfs/dbraw/zinc/14/72/48/543147248.db2.gz GTFUPHZDEXMXHQ-KFWWJZLASA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265105 543147783 /nfs/dbraw/zinc/14/77/83/543147783.db2.gz NRVKUJONNHKTMM-CVEARBPZSA-N 2 1 284.488 3.101 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(C)(C)C ZINC000670265735 543148254 /nfs/dbraw/zinc/14/82/54/543148254.db2.gz ZIZYOUULFOXRKA-RBSFLKMASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(C)(C)C ZINC000670265735 543148255 /nfs/dbraw/zinc/14/82/55/543148255.db2.gz ZIZYOUULFOXRKA-RBSFLKMASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(C)(C)C ZINC000670265735 543148256 /nfs/dbraw/zinc/14/82/56/543148256.db2.gz ZIZYOUULFOXRKA-RBSFLKMASA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000670267247 543148908 /nfs/dbraw/zinc/14/89/08/543148908.db2.gz WXWIRQQJWBJCFS-CABCVRRESA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176799 289100815 /nfs/dbraw/zinc/10/08/15/289100815.db2.gz FVDMZILAUQAXBK-IAGOWNOFSA-N 2 1 258.409 3.378 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176799 289100818 /nfs/dbraw/zinc/10/08/18/289100818.db2.gz FVDMZILAUQAXBK-IAGOWNOFSA-N 2 1 258.409 3.378 20 0 CGADMP Cc1ccc(C2(C[NH2+]C3CC[NH+](C)CC3)CCC2)cc1C ZINC000466358344 292089883 /nfs/dbraw/zinc/08/98/83/292089883.db2.gz BDTLLEPVPXEOJI-UHFFFAOYSA-N 2 1 286.463 3.409 20 0 CGADMP CC(C)C(C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C(C)C ZINC000671192494 543162548 /nfs/dbraw/zinc/16/25/48/543162548.db2.gz SXEBQSCZACOZES-MRXNPFEDSA-N 2 1 284.488 3.005 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000551315213 289111422 /nfs/dbraw/zinc/11/14/22/289111422.db2.gz OSMSVJXXTHFKOD-LSDHHAIUSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037916120 397609874 /nfs/dbraw/zinc/60/98/74/397609874.db2.gz DUTJWLWBKYVHBZ-ZFWWWQNUSA-N 2 1 264.438 3.021 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062077907 397637909 /nfs/dbraw/zinc/63/79/09/397637909.db2.gz JLPZPZHVJOIILD-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(C)c(Cl)c2)CC[C@H]1[NH3+] ZINC000300243399 397673221 /nfs/dbraw/zinc/67/32/21/397673221.db2.gz NGOZSQAFEZRHQZ-DZGCQCFKSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C)c(Cl)c2)CC[C@H]1[NH3+] ZINC000300243399 397673223 /nfs/dbraw/zinc/67/32/23/397673223.db2.gz NGOZSQAFEZRHQZ-DZGCQCFKSA-N 2 1 266.816 3.208 20 0 CGADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000301679393 397675260 /nfs/dbraw/zinc/67/52/60/397675260.db2.gz OPGVLVAVLUWFCT-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)(C)c1n[nH]cc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352534402 397685324 /nfs/dbraw/zinc/68/53/24/397685324.db2.gz GFKSMECDRZSVEU-UHFFFAOYSA-N 2 1 292.471 3.048 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC000650705996 397898087 /nfs/dbraw/zinc/89/80/87/397898087.db2.gz BOLFKHNNORJRBL-KURKYZTESA-N 2 1 294.483 3.175 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc2cccnc12 ZINC000650711120 397898819 /nfs/dbraw/zinc/89/88/19/397898819.db2.gz JFIOAQBRTHPYIJ-RDTXWAMCSA-N 2 1 297.446 3.493 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)CC[NH2+]1 ZINC000650725200 397902561 /nfs/dbraw/zinc/90/25/61/397902561.db2.gz VMWBCHSTBVWFMD-KFWWJZLASA-N 2 1 290.426 3.175 20 0 CGADMP CC[N@@H+](CCCN[C@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000650742430 397905076 /nfs/dbraw/zinc/90/50/76/397905076.db2.gz XWYKKIOUSVSKRW-MSOLQXFVSA-N 2 1 295.515 3.281 20 0 CGADMP Cc1cc[nH+]c(N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000675284961 543324881 /nfs/dbraw/zinc/32/48/81/543324881.db2.gz HILFKQVLLCZTGD-UHFFFAOYSA-N 2 1 287.451 3.482 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000676211692 543387134 /nfs/dbraw/zinc/38/71/34/543387134.db2.gz MWHFUJZCTSBYFG-GJZGRUSLSA-N 2 1 299.462 3.345 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000676211692 543387135 /nfs/dbraw/zinc/38/71/35/543387135.db2.gz MWHFUJZCTSBYFG-GJZGRUSLSA-N 2 1 299.462 3.345 20 0 CGADMP CC(C)(C)OCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712137 543411345 /nfs/dbraw/zinc/41/13/45/543411345.db2.gz GCNYLENPFWUUIR-WBVHZDCISA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)(C)OCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712137 543411346 /nfs/dbraw/zinc/41/13/46/543411346.db2.gz GCNYLENPFWUUIR-WBVHZDCISA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)(C)OCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712137 543411348 /nfs/dbraw/zinc/41/13/48/543411348.db2.gz GCNYLENPFWUUIR-WBVHZDCISA-N 2 1 294.483 3.140 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000676901207 543423192 /nfs/dbraw/zinc/42/31/92/543423192.db2.gz UERQBKMQAPJJGC-ARFHVFGLSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677239957 543440496 /nfs/dbraw/zinc/44/04/96/543440496.db2.gz ANRJAXNMGSKHBP-NJAFHUGGSA-N 2 1 272.436 3.315 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000677129301 543434377 /nfs/dbraw/zinc/43/43/77/543434377.db2.gz JELLDMAACMZMTR-KRWDZBQOSA-N 2 1 294.389 3.418 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000677820773 543467890 /nfs/dbraw/zinc/46/78/90/543467890.db2.gz WFJWWALGTPZCIA-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000677820773 543467892 /nfs/dbraw/zinc/46/78/92/543467892.db2.gz WFJWWALGTPZCIA-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678120902 543484806 /nfs/dbraw/zinc/48/48/06/543484806.db2.gz KUOGMSDUSKKFOT-HNNXBMFYSA-N 2 1 276.424 3.001 20 0 CGADMP C[N@H+](Cc1nccc2ccccc21)CC1CC[NH+](C)CC1 ZINC000678238909 543499738 /nfs/dbraw/zinc/49/97/38/543499738.db2.gz LMRKTBQJKLVGOG-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[C@@]1(C)CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678285514 543511389 /nfs/dbraw/zinc/51/13/89/543511389.db2.gz JYKIZCVKIMUZOT-SFHVURJKSA-N 2 1 290.451 3.249 20 0 CGADMP Clc1cccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000678581112 543537369 /nfs/dbraw/zinc/53/73/69/543537369.db2.gz RWHMBTWVIYASFK-DLBZAZTESA-N 2 1 292.854 3.489 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678765846 543553835 /nfs/dbraw/zinc/55/38/35/543553835.db2.gz HEHKFFOFUZYPEE-HDMKZQKVSA-N 2 1 272.436 3.241 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420305997 292276029 /nfs/dbraw/zinc/27/60/29/292276029.db2.gz QFTLJZACNNRAMW-NVXWUHKLSA-N 2 1 290.476 3.085 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC[N@@H+]1C ZINC000679017734 543583052 /nfs/dbraw/zinc/58/30/52/543583052.db2.gz YPLSEVQAADYDIO-CJNGLKHVSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC[N@H+]1C ZINC000679017734 543583054 /nfs/dbraw/zinc/58/30/54/543583054.db2.gz YPLSEVQAADYDIO-CJNGLKHVSA-N 2 1 276.399 3.277 20 0 CGADMP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000078542776 287049767 /nfs/dbraw/zinc/04/97/67/287049767.db2.gz UKMSFPMTGCHWQB-UHFFFAOYSA-N 2 1 284.403 3.474 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000080459685 287065891 /nfs/dbraw/zinc/06/58/91/287065891.db2.gz GCEFZJSLGJCHSL-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081638236 287075672 /nfs/dbraw/zinc/07/56/72/287075672.db2.gz DPTKHEMANDMTQZ-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594719 287091931 /nfs/dbraw/zinc/09/19/31/287091931.db2.gz OYTMSGJJODDPPB-KRWDZBQOSA-N 2 1 296.499 3.436 20 0 CGADMP COCc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000088567000 165195517 /nfs/dbraw/zinc/19/55/17/165195517.db2.gz FVUKOYGYOIQEEF-INIZCTEOSA-N 2 1 290.451 3.187 20 0 CGADMP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586003 287102893 /nfs/dbraw/zinc/10/28/93/287102893.db2.gz LMAXYEKGPNCFIN-IAGOWNOFSA-N 2 1 284.488 3.149 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749511 165216707 /nfs/dbraw/zinc/21/67/07/165216707.db2.gz CTTIOZVFLKXOFR-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000090581510 165238234 /nfs/dbraw/zinc/23/82/34/165238234.db2.gz HSEGUCGOOUVENW-RYRKJORJSA-N 2 1 286.463 3.328 20 0 CGADMP COc1ccc2cc(C[NH+]3CCC([NH+](C)C)CC3)ccc2c1 ZINC000091669444 165266158 /nfs/dbraw/zinc/26/61/58/165266158.db2.gz NTKLSSJFPMXEJR-UHFFFAOYSA-N 2 1 298.430 3.374 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc2c1 ZINC000093873059 165339812 /nfs/dbraw/zinc/33/98/12/165339812.db2.gz ITVAWYVDXRERPY-UHFFFAOYSA-N 2 1 286.419 3.265 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)CC1CC[NH2+]CC1 ZINC000094010716 165343041 /nfs/dbraw/zinc/34/30/41/165343041.db2.gz UJBNEFHKWXRHSS-UHFFFAOYSA-N 2 1 287.234 3.425 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]cc1Cl ZINC000094266936 165347212 /nfs/dbraw/zinc/34/72/12/165347212.db2.gz RBGUHARVUDJWDJ-GFCCVEGCSA-N 2 1 267.804 3.411 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]cc1Cl ZINC000094266936 165347216 /nfs/dbraw/zinc/34/72/16/165347216.db2.gz RBGUHARVUDJWDJ-GFCCVEGCSA-N 2 1 267.804 3.411 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000094519073 165352010 /nfs/dbraw/zinc/35/20/10/165352010.db2.gz UIHGNDSTMUXBET-OAHLLOKOSA-N 2 1 270.420 3.138 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522166 165353439 /nfs/dbraw/zinc/35/34/39/165353439.db2.gz MWPVAGNCZMTLJW-CXAGYDPISA-N 2 1 258.409 3.123 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522159 165353695 /nfs/dbraw/zinc/35/36/95/165353695.db2.gz ARBNFEOVPXEZBX-CQSZACIVSA-N 2 1 258.409 3.125 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000094518624 165353726 /nfs/dbraw/zinc/35/37/26/165353726.db2.gz DYBMAJSVAZGVOC-ZWKOTPCHSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000094518624 165353731 /nfs/dbraw/zinc/35/37/31/165353731.db2.gz DYBMAJSVAZGVOC-ZWKOTPCHSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(F)cc(F)c1 ZINC000094825952 165354600 /nfs/dbraw/zinc/35/46/00/165354600.db2.gz RFWHCPPACWKBQE-LLVKDONJSA-N 2 1 270.367 3.203 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1OC ZINC000093406346 287116300 /nfs/dbraw/zinc/11/63/00/287116300.db2.gz FYFJGNJEEVMUMK-NVXWUHKLSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131671164 287130514 /nfs/dbraw/zinc/13/05/14/287130514.db2.gz KEBVNNCGRZOULH-GRYCIOLGSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131671164 287130515 /nfs/dbraw/zinc/13/05/15/287130515.db2.gz KEBVNNCGRZOULH-GRYCIOLGSA-N 2 1 297.240 3.179 20 0 CGADMP Cc1cccc(C)c1OCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000112731206 287144684 /nfs/dbraw/zinc/14/46/84/287144684.db2.gz GHMBDPMSVGMKCP-UHFFFAOYSA-N 2 1 290.451 3.098 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261563449 287150947 /nfs/dbraw/zinc/15/09/47/287150947.db2.gz GWJWPKCMTAWBST-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261563449 287150948 /nfs/dbraw/zinc/15/09/48/287150948.db2.gz GWJWPKCMTAWBST-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000120724210 287186115 /nfs/dbraw/zinc/18/61/15/287186115.db2.gz YPNBUYDCZCIOIT-CVEARBPZSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000120724210 287186116 /nfs/dbraw/zinc/18/61/16/287186116.db2.gz YPNBUYDCZCIOIT-CVEARBPZSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000120793233 287187072 /nfs/dbraw/zinc/18/70/72/287187072.db2.gz ALRVOTALOGHCAC-WBVHZDCISA-N 2 1 274.452 3.345 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C(C1CC1)C1CC1)C2 ZINC000122767667 287212407 /nfs/dbraw/zinc/21/24/07/287212407.db2.gz POPJQNIHCBRVIA-UHFFFAOYSA-N 2 1 284.447 3.213 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C(C1CC1)C1CC1)C2 ZINC000122767667 287212408 /nfs/dbraw/zinc/21/24/08/287212408.db2.gz POPJQNIHCBRVIA-UHFFFAOYSA-N 2 1 284.447 3.213 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC)CCCC2)[C@@H](C)C1 ZINC000123415482 287219504 /nfs/dbraw/zinc/21/95/04/287219504.db2.gz QSEBWIOLYUANPL-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124471118 287233774 /nfs/dbraw/zinc/23/37/74/287233774.db2.gz XQMPITAYCQMKDI-WMZOPIPTSA-N 2 1 297.531 3.064 20 0 CGADMP CC[C@@H](COC)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125182082 287240751 /nfs/dbraw/zinc/24/07/51/287240751.db2.gz PVKZSMSWACSYHU-WBVHZDCISA-N 2 1 290.451 3.227 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000020121878 171001187 /nfs/dbraw/zinc/00/11/87/171001187.db2.gz POKAESZVAVORQA-GFCCVEGCSA-N 2 1 266.816 3.475 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000020438245 171202785 /nfs/dbraw/zinc/20/27/85/171202785.db2.gz WXZQEXBVRCNEAV-CYBMUJFWSA-N 2 1 252.402 3.279 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285562747 196328592 /nfs/dbraw/zinc/32/85/92/196328592.db2.gz RTYJYMPOEBCIQY-WYRUZUNFSA-N 2 1 270.420 3.257 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285562747 196328594 /nfs/dbraw/zinc/32/85/94/196328594.db2.gz RTYJYMPOEBCIQY-WYRUZUNFSA-N 2 1 270.420 3.257 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285562747 196328595 /nfs/dbraw/zinc/32/85/95/196328595.db2.gz RTYJYMPOEBCIQY-WYRUZUNFSA-N 2 1 270.420 3.257 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285562747 196328597 /nfs/dbraw/zinc/32/85/97/196328597.db2.gz RTYJYMPOEBCIQY-WYRUZUNFSA-N 2 1 270.420 3.257 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000037249006 173061274 /nfs/dbraw/zinc/06/12/74/173061274.db2.gz JOCOPIMECYBJBA-AWEZNQCLSA-N 2 1 272.436 3.310 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000127360866 287286370 /nfs/dbraw/zinc/28/63/70/287286370.db2.gz PHDWBINZXPUCJD-MRXNPFEDSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000127360866 287286372 /nfs/dbraw/zinc/28/63/72/287286372.db2.gz PHDWBINZXPUCJD-MRXNPFEDSA-N 2 1 263.429 3.340 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000127375549 287286705 /nfs/dbraw/zinc/28/67/05/287286705.db2.gz AXIDKRACUKNSNI-ODIFPOPNSA-N 2 1 260.425 3.253 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000127375549 287286707 /nfs/dbraw/zinc/28/67/07/287286707.db2.gz AXIDKRACUKNSNI-ODIFPOPNSA-N 2 1 260.425 3.253 20 0 CGADMP CCC[N@@H+](CCSc1ccccc1)C1CC[NH2+]CC1 ZINC000038078698 174088657 /nfs/dbraw/zinc/08/86/57/174088657.db2.gz CDDPYTXAXYRZCY-UHFFFAOYSA-N 2 1 278.465 3.243 20 0 CGADMP CSc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746488 174391701 /nfs/dbraw/zinc/39/17/01/174391701.db2.gz WGAOXOLYWHUFFY-YIONKMFJSA-N 2 1 276.449 3.123 20 0 CGADMP C[C@@H](CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000043533991 175062940 /nfs/dbraw/zinc/06/29/40/175062940.db2.gz WWGMKQKKCOVDIA-HOTGVXAUSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](C[NH2+]CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000071376816 176142355 /nfs/dbraw/zinc/14/23/55/176142355.db2.gz ATFZMWGGGWIEPK-OAHLLOKOSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@H](C[NH2+]CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000071376816 176142357 /nfs/dbraw/zinc/14/23/57/176142357.db2.gz ATFZMWGGGWIEPK-OAHLLOKOSA-N 2 1 260.425 3.254 20 0 CGADMP CC[C@@](C)([NH2+]CCCCn1cc[nH+]c1C)c1nccs1 ZINC000129011382 287322452 /nfs/dbraw/zinc/32/24/52/287322452.db2.gz DQNQYUMVYMUPKE-OAHLLOKOSA-N 2 1 292.452 3.343 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000129080445 287323822 /nfs/dbraw/zinc/32/38/22/287323822.db2.gz MDYKJHGHVIGOIS-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000129080445 287323825 /nfs/dbraw/zinc/32/38/25/287323825.db2.gz MDYKJHGHVIGOIS-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000129080445 287323826 /nfs/dbraw/zinc/32/38/26/287323826.db2.gz MDYKJHGHVIGOIS-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000050954354 416478603 /nfs/dbraw/zinc/47/86/03/416478603.db2.gz RWLLAXOWSIDXSG-GOSISDBHSA-N 2 1 272.436 3.256 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000052204640 416479578 /nfs/dbraw/zinc/47/95/78/416479578.db2.gz SDJGVTHCICPYLD-MSOLQXFVSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312678273 416533360 /nfs/dbraw/zinc/53/33/60/416533360.db2.gz KLLPRBMMHKYDSS-WQGACYEGSA-N 2 1 280.362 3.087 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312678273 416533363 /nfs/dbraw/zinc/53/33/63/416533363.db2.gz KLLPRBMMHKYDSS-WQGACYEGSA-N 2 1 280.362 3.087 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000420901961 416562508 /nfs/dbraw/zinc/56/25/08/416562508.db2.gz LTDSHJZOFZEBOW-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)[C@H]1CC[NH3+] ZINC000404377889 416551497 /nfs/dbraw/zinc/55/14/97/416551497.db2.gz SQTWVPMMBIRCDF-JSGCOSHPSA-N 2 1 298.377 3.237 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)[C@H]1CC[NH3+] ZINC000404377889 416551501 /nfs/dbraw/zinc/55/15/01/416551501.db2.gz SQTWVPMMBIRCDF-JSGCOSHPSA-N 2 1 298.377 3.237 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCc2ccccc2)[C@H]1CC[NH3+] ZINC000404412394 416554336 /nfs/dbraw/zinc/55/43/36/416554336.db2.gz YQQVUUPGUVIRHF-RDJZCZTQSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1C1CC1 ZINC000133349304 416516157 /nfs/dbraw/zinc/51/61/57/416516157.db2.gz KPRZGYFSKPMOOP-QGZVFWFLSA-N 2 1 260.425 3.369 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)CC[N@@H+]1C ZINC000129880872 287340437 /nfs/dbraw/zinc/34/04/37/287340437.db2.gz SNWPNBLYTPJHAW-COXVUDFISA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)CC[N@H+]1C ZINC000129880872 287340440 /nfs/dbraw/zinc/34/04/40/287340440.db2.gz SNWPNBLYTPJHAW-COXVUDFISA-N 2 1 258.409 3.210 20 0 CGADMP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)s1 ZINC000680329148 543697373 /nfs/dbraw/zinc/69/73/73/543697373.db2.gz LUAWIDWFMVBNSN-CYBMUJFWSA-N 2 1 290.436 3.300 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)s1 ZINC000680329148 543697375 /nfs/dbraw/zinc/69/73/75/543697375.db2.gz LUAWIDWFMVBNSN-CYBMUJFWSA-N 2 1 290.436 3.300 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000680326741 543697612 /nfs/dbraw/zinc/69/76/12/543697612.db2.gz ICYSZGFRPXWXQG-BRWVUGGUSA-N 2 1 264.457 3.373 20 0 CGADMP CC[N@H+]1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@H]1C ZINC000680622498 543721047 /nfs/dbraw/zinc/72/10/47/543721047.db2.gz AWQIAXZXZSITQL-CQSZACIVSA-N 2 1 269.392 3.074 20 0 CGADMP C[C@H]([NH2+]CCCOC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401017 543708511 /nfs/dbraw/zinc/70/85/11/543708511.db2.gz ANUKUVAQHXQANC-JKSUJKDBSA-N 2 1 296.499 3.434 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071778 543820796 /nfs/dbraw/zinc/82/07/96/543820796.db2.gz IZQSCRBYZWVIGI-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071778 543820798 /nfs/dbraw/zinc/82/07/98/543820798.db2.gz IZQSCRBYZWVIGI-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071778 543820801 /nfs/dbraw/zinc/82/08/01/543820801.db2.gz IZQSCRBYZWVIGI-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071778 543820803 /nfs/dbraw/zinc/82/08/03/543820803.db2.gz IZQSCRBYZWVIGI-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000131612709 287385455 /nfs/dbraw/zinc/38/54/55/287385455.db2.gz AXRHXXIXAKLMPB-CABCVRRESA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000131612709 287385456 /nfs/dbraw/zinc/38/54/56/287385456.db2.gz AXRHXXIXAKLMPB-CABCVRRESA-N 2 1 263.429 3.340 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC000683358867 543910648 /nfs/dbraw/zinc/91/06/48/543910648.db2.gz NBWPMVNMPGBVOL-QGZVFWFLSA-N 2 1 272.436 3.480 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2cn1 ZINC000683831073 543946516 /nfs/dbraw/zinc/94/65/16/543946516.db2.gz HOZJNOABDILZQN-KRWDZBQOSA-N 2 1 295.430 3.153 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000684021041 543960479 /nfs/dbraw/zinc/96/04/79/543960479.db2.gz KNSXYYAWEQOFQD-INIZCTEOSA-N 2 1 297.446 3.476 20 0 CGADMP c1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000684021041 543960482 /nfs/dbraw/zinc/96/04/82/543960482.db2.gz KNSXYYAWEQOFQD-INIZCTEOSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000650741522 418936138 /nfs/dbraw/zinc/93/61/38/418936138.db2.gz FVJJZDXHAOXELC-HACGYAERSA-N 2 1 267.376 3.009 20 0 CGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222174 418937422 /nfs/dbraw/zinc/93/74/22/418937422.db2.gz GZUVKGQCWHZISA-FUHWJXTLSA-N 2 1 292.467 3.330 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1 ZINC000652220506 418937664 /nfs/dbraw/zinc/93/76/64/418937664.db2.gz BRAZKJYWZKHCFL-OAHLLOKOSA-N 2 1 278.440 3.324 20 0 CGADMP CC[N@H+](CCC[NH2+][C@H](C)c1c[nH]nc1C)C1CCCCC1 ZINC000652237959 418939756 /nfs/dbraw/zinc/93/97/56/418939756.db2.gz MGVDZWSGRJBUJF-CQSZACIVSA-N 2 1 292.471 3.413 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1c[nH]nc1C)C1CCCCC1 ZINC000652237959 418939758 /nfs/dbraw/zinc/93/97/58/418939758.db2.gz MGVDZWSGRJBUJF-CQSZACIVSA-N 2 1 292.471 3.413 20 0 CGADMP Cc1cc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc[nH+]1 ZINC000664364470 418943189 /nfs/dbraw/zinc/94/31/89/418943189.db2.gz QXALZIXWNXQLNP-IBGZPJMESA-N 2 1 295.430 3.143 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000652353442 418956947 /nfs/dbraw/zinc/95/69/47/418956947.db2.gz JDJYVNOWAJAWIE-ZIAGYGMSSA-N 2 1 292.854 3.301 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000659977396 419050312 /nfs/dbraw/zinc/05/03/12/419050312.db2.gz XRJVCFCJWOENSC-KBPBESRZSA-N 2 1 276.415 3.332 20 0 CGADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCC1 ZINC000660115415 419080760 /nfs/dbraw/zinc/08/07/60/419080760.db2.gz MYFJVBSNORWRHP-DOTOQJQBSA-N 2 1 262.441 3.125 20 0 CGADMP C[C@@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(C)(C)C ZINC000655757712 419088994 /nfs/dbraw/zinc/08/89/94/419088994.db2.gz JRWDWRKDSGQFMW-DOTOQJQBSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)(C)C(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655770405 419091726 /nfs/dbraw/zinc/09/17/26/419091726.db2.gz JPSIMEXXLXHCFT-MRXNPFEDSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2ccccc2n1 ZINC000665248835 419091863 /nfs/dbraw/zinc/09/18/63/419091863.db2.gz DFQDBRRZUFGPLH-CYBMUJFWSA-N 2 1 269.392 3.157 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250140 419092743 /nfs/dbraw/zinc/09/27/43/419092743.db2.gz IXIZUAKBRINQDS-DJIMGWMZSA-N 2 1 260.425 3.156 20 0 CGADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665295648 419108383 /nfs/dbraw/zinc/10/83/83/419108383.db2.gz HEAKIEKGHMBBDC-LGZALOBFSA-N 2 1 290.451 3.160 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000665298196 419109973 /nfs/dbraw/zinc/10/99/73/419109973.db2.gz TYKBKWHLLWILSI-BJJXKVORSA-N 2 1 280.843 3.249 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000665298660 419110232 /nfs/dbraw/zinc/11/02/32/419110232.db2.gz ZLWQQWSGNIICRX-ZIAGYGMSSA-N 2 1 287.451 3.422 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000665297635 419110688 /nfs/dbraw/zinc/11/06/88/419110688.db2.gz JBTZWIQHZDSGAF-KGLIPLIRSA-N 2 1 298.858 3.393 20 0 CGADMP C[NH+](CCC(C)(C)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000653673371 419068969 /nfs/dbraw/zinc/06/89/69/419068969.db2.gz VRHYQJQPKWFSFZ-XYPWUTKMSA-N 2 1 264.457 3.370 20 0 CGADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCC1 ZINC000660115415 419080753 /nfs/dbraw/zinc/08/07/53/419080753.db2.gz MYFJVBSNORWRHP-DOTOQJQBSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCC1 ZINC000660115415 419080757 /nfs/dbraw/zinc/08/07/57/419080757.db2.gz MYFJVBSNORWRHP-DOTOQJQBSA-N 2 1 262.441 3.125 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CC1 ZINC000655940503 419129579 /nfs/dbraw/zinc/12/95/79/419129579.db2.gz CSZXIKSAUXCPFJ-GJZGRUSLSA-N 2 1 264.457 3.134 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000655949356 419129738 /nfs/dbraw/zinc/12/97/38/419129738.db2.gz UTGDLEZKDGDOGG-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C1 ZINC000656197388 419148849 /nfs/dbraw/zinc/14/88/49/419148849.db2.gz FQXLOWWKNBJMRU-MNOVXSKESA-N 2 1 295.839 3.309 20 0 CGADMP C[N@@H+](CCCC1CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542308 419159162 /nfs/dbraw/zinc/15/91/62/419159162.db2.gz NCMFTBUDJRKCMP-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CCCC1CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660542308 419159163 /nfs/dbraw/zinc/15/91/63/419159163.db2.gz NCMFTBUDJRKCMP-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CCc1ccc(CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660660946 419176094 /nfs/dbraw/zinc/17/60/94/419176094.db2.gz XQRNKGGHWVXFGN-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659388 419177520 /nfs/dbraw/zinc/17/75/20/419177520.db2.gz OWVHUDWDZDNJNO-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659388 419177525 /nfs/dbraw/zinc/17/75/25/419177525.db2.gz OWVHUDWDZDNJNO-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659388 419177526 /nfs/dbraw/zinc/17/75/26/419177526.db2.gz OWVHUDWDZDNJNO-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656091 419177806 /nfs/dbraw/zinc/17/78/06/419177806.db2.gz PRBUSNYZFPJBAT-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656091 419177813 /nfs/dbraw/zinc/17/78/13/419177813.db2.gz PRBUSNYZFPJBAT-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656091 419177816 /nfs/dbraw/zinc/17/78/16/419177816.db2.gz PRBUSNYZFPJBAT-WBVHZDCISA-N 2 1 258.409 3.165 20 0 CGADMP c1ccc2c(c1)CC[C@@H](C[NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000656500066 419178963 /nfs/dbraw/zinc/17/89/63/419178963.db2.gz CYFCZTONJRYXKR-OAHLLOKOSA-N 2 1 284.447 3.008 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCc1c(F)cccc1F ZINC000655938628 419128735 /nfs/dbraw/zinc/12/87/35/419128735.db2.gz ZFCVPKLUKRSOHR-MRXNPFEDSA-N 2 1 284.394 3.203 20 0 CGADMP COCc1csc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000657303909 419246694 /nfs/dbraw/zinc/24/66/94/419246694.db2.gz IFQUSTYWMYJWSP-UHFFFAOYSA-N 2 1 296.480 3.105 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC)cc2C)C1 ZINC000657324897 419251382 /nfs/dbraw/zinc/25/13/82/419251382.db2.gz HCOKPHDWLNQDBM-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000657356799 419258778 /nfs/dbraw/zinc/25/87/78/419258778.db2.gz RTDIJDMBWNELRP-SQNIBIBYSA-N 2 1 296.499 3.172 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000657356796 419258943 /nfs/dbraw/zinc/25/89/43/419258943.db2.gz RTDIJDMBWNELRP-KURKYZTESA-N 2 1 296.499 3.172 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694963 419205019 /nfs/dbraw/zinc/20/50/19/419205019.db2.gz XVDITAAAVMATME-CVEARBPZSA-N 2 1 298.858 3.082 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694963 419205020 /nfs/dbraw/zinc/20/50/20/419205020.db2.gz XVDITAAAVMATME-CVEARBPZSA-N 2 1 298.858 3.082 20 0 CGADMP C(=C\C[N@H+]1C[C@@H]2CCCC[C@@H]21)\C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933327 419216407 /nfs/dbraw/zinc/21/64/07/419216407.db2.gz PBQIWQWFUCKPKV-BJMLIQPHSA-N 2 1 274.452 3.291 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661577548 419274539 /nfs/dbraw/zinc/27/45/39/419274539.db2.gz CEAZWPXXSNZADB-INIZCTEOSA-N 2 1 275.440 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661577548 419274540 /nfs/dbraw/zinc/27/45/40/419274540.db2.gz CEAZWPXXSNZADB-INIZCTEOSA-N 2 1 275.440 3.255 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+](CC)C2CCCCC2)CO1 ZINC000657499516 419295451 /nfs/dbraw/zinc/29/54/51/419295451.db2.gz AVSVPIZLRYELJG-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC/C=C\c1ccccc1 ZINC000657525574 419297738 /nfs/dbraw/zinc/29/77/38/419297738.db2.gz STCPQCFWQDRQON-BSDKJSHOSA-N 2 1 258.409 3.162 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC/C=C\c1ccccc1 ZINC000657525574 419297741 /nfs/dbraw/zinc/29/77/41/419297741.db2.gz STCPQCFWQDRQON-BSDKJSHOSA-N 2 1 258.409 3.162 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000657677464 419326491 /nfs/dbraw/zinc/32/64/91/419326491.db2.gz DIPKUAAXYMCWHS-NUJGCVRESA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000657677464 419326495 /nfs/dbraw/zinc/32/64/95/419326495.db2.gz DIPKUAAXYMCWHS-NUJGCVRESA-N 2 1 294.483 3.187 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662045254 419328762 /nfs/dbraw/zinc/32/87/62/419328762.db2.gz WNJFYSHWVDKSQZ-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662045254 419328763 /nfs/dbraw/zinc/32/87/63/419328763.db2.gz WNJFYSHWVDKSQZ-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@@H+]2CC3CC2(C[NH3+])C3)c(C)c1 ZINC000662306461 419388333 /nfs/dbraw/zinc/38/83/33/419388333.db2.gz BVTJKKCBKXYAII-HPUBIQBYSA-N 2 1 258.409 3.096 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC3CC2(C[NH3+])C3)c(C)c1 ZINC000662306461 419388337 /nfs/dbraw/zinc/38/83/37/419388337.db2.gz BVTJKKCBKXYAII-HPUBIQBYSA-N 2 1 258.409 3.096 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)[C@@H]1CCC[NH3+] ZINC000662314067 419389290 /nfs/dbraw/zinc/38/92/90/419389290.db2.gz MFRSPTWBNPXWKP-IUODEOHRSA-N 2 1 282.378 3.304 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657869559 419396471 /nfs/dbraw/zinc/39/64/71/419396471.db2.gz JYAUDVKHNZXXEE-DMRZNYOFSA-N 2 1 275.440 3.242 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657871661 419397293 /nfs/dbraw/zinc/39/72/93/419397293.db2.gz WHHHDOIXGACKQT-CHWSQXEVSA-N 2 1 298.390 3.320 20 0 CGADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887177 419406508 /nfs/dbraw/zinc/40/65/08/419406508.db2.gz FMMKYPCHJAAWCS-MDZLAQPJSA-N 2 1 283.366 3.153 20 0 CGADMP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887177 419406518 /nfs/dbraw/zinc/40/65/18/419406518.db2.gz FMMKYPCHJAAWCS-MDZLAQPJSA-N 2 1 283.366 3.153 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCSCC2)CCCCC1 ZINC000657821116 419370296 /nfs/dbraw/zinc/37/02/96/419370296.db2.gz QIILDMYKASFFCS-CQSZACIVSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662246403 419373287 /nfs/dbraw/zinc/37/32/87/419373287.db2.gz RQLNYLNMAPCCGZ-STQMWFEESA-N 2 1 298.883 3.491 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)C[C@@H]21 ZINC000662267254 419377274 /nfs/dbraw/zinc/37/72/74/419377274.db2.gz TZNAFMAXNYUQKM-OGWHTMIXSA-N 2 1 284.447 3.166 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC23CC3)C1 ZINC000657836763 419381029 /nfs/dbraw/zinc/38/10/29/419381029.db2.gz BBTUFGMTHAEFMU-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662275216 419381454 /nfs/dbraw/zinc/38/14/54/419381454.db2.gz VZCWRRPGJKTCPM-QRVBRYPASA-N 2 1 298.474 3.428 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000662277644 419383145 /nfs/dbraw/zinc/38/31/45/419383145.db2.gz RFNJDTCXHORKEZ-SFHVURJKSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657847770 419387362 /nfs/dbraw/zinc/38/73/62/419387362.db2.gz ZUVFAFFOJKHYIU-LBPRGKRZSA-N 2 1 284.363 3.074 20 0 CGADMP C1=CC[C@H](C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663346614 419566670 /nfs/dbraw/zinc/56/66/70/419566670.db2.gz AUNYIEJYGDRDTO-RDJZCZTQSA-N 2 1 262.441 3.054 20 0 CGADMP CCC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346246 419569982 /nfs/dbraw/zinc/56/99/82/419569982.db2.gz RPOGIVSTZCDQLO-GDBMZVCRSA-N 2 1 252.446 3.134 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccnc3ccccc23)[C@@H](C)C1 ZINC000658126694 419603650 /nfs/dbraw/zinc/60/36/50/419603650.db2.gz HNSNNYUGNXGYPJ-MAUKXSAKSA-N 2 1 297.446 3.097 20 0 CGADMP C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466032 419617809 /nfs/dbraw/zinc/61/78/09/419617809.db2.gz NFNQJOKUIWKTCS-CRAIPNDOSA-N 2 1 276.468 3.277 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000663468891 419620456 /nfs/dbraw/zinc/62/04/56/419620456.db2.gz NFANOQCNVXILIB-ZBFHGGJFSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)C ZINC000663468924 419622584 /nfs/dbraw/zinc/62/25/84/419622584.db2.gz NIKTVCPPCOKZNO-JKSUJKDBSA-N 2 1 252.446 3.133 20 0 CGADMP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471781 419624662 /nfs/dbraw/zinc/62/46/62/419624662.db2.gz YCYRMAGDCQXIPN-HZPDHXFCSA-N 2 1 264.457 3.277 20 0 CGADMP C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227970 419687894 /nfs/dbraw/zinc/68/78/94/419687894.db2.gz FFVTYDSBLAFMLY-ZBFHGGJFSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227970 419687901 /nfs/dbraw/zinc/68/79/01/419687901.db2.gz FFVTYDSBLAFMLY-ZBFHGGJFSA-N 2 1 262.441 3.316 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000658229364 419691644 /nfs/dbraw/zinc/69/16/44/419691644.db2.gz QYKISKHMRFYGRT-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000658229364 419691648 /nfs/dbraw/zinc/69/16/48/419691648.db2.gz QYKISKHMRFYGRT-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)C2 ZINC000658244705 419698230 /nfs/dbraw/zinc/69/82/30/419698230.db2.gz FGTMPRGMKMMWTO-OAOQPFQOSA-N 2 1 272.436 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)C2 ZINC000658244705 419698236 /nfs/dbraw/zinc/69/82/36/419698236.db2.gz FGTMPRGMKMMWTO-OAOQPFQOSA-N 2 1 272.436 3.301 20 0 CGADMP CCc1[nH+]ccn1[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663563810 419649634 /nfs/dbraw/zinc/64/96/34/419649634.db2.gz BPNLCYRPNYYWDI-CYBMUJFWSA-N 2 1 295.390 3.163 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658263790 419718741 /nfs/dbraw/zinc/71/87/41/419718741.db2.gz MSEYZYWECDDOBG-QQXKLLMISA-N 2 1 284.447 3.395 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NCC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000664246858 419865288 /nfs/dbraw/zinc/86/52/88/419865288.db2.gz ZBSYLTJZRQZKQA-SNVBAGLBSA-N 2 1 275.318 3.161 20 0 CGADMP C[C@H](CCNc1[nH+]ccc2cc(F)ccc21)[NH+](C)C ZINC000664246673 419865365 /nfs/dbraw/zinc/86/53/65/419865365.db2.gz XCDCCPRLBSTUOY-LLVKDONJSA-N 2 1 261.344 3.126 20 0 CGADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cnn1C(C)C ZINC000191189211 287589096 /nfs/dbraw/zinc/58/90/96/287589096.db2.gz DZZKLHDGWKQBGE-HUUCEWRRSA-N 2 1 292.471 3.155 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000179441573 260049041 /nfs/dbraw/zinc/04/90/41/260049041.db2.gz NDDQQNPBLXVSFE-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322975640 260113236 /nfs/dbraw/zinc/11/32/36/260113236.db2.gz ZPTLNVYEQNHELJ-MGLUKCQKSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000394505357 261189719 /nfs/dbraw/zinc/18/97/19/261189719.db2.gz FTBBNJVBUABXMR-OZSLIKBDSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000044534298 270036491 /nfs/dbraw/zinc/03/64/91/270036491.db2.gz QUHAYZKDGFIYND-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000044534298 270036492 /nfs/dbraw/zinc/03/64/92/270036492.db2.gz QUHAYZKDGFIYND-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP C1C[C@H]2C[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)CC[N@H+]2C1 ZINC000106868897 270049324 /nfs/dbraw/zinc/04/93/24/270049324.db2.gz VJOLCHNHPKZXQB-LXWWYSJOSA-N 2 1 274.452 3.028 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182816100 270054400 /nfs/dbraw/zinc/05/44/00/270054400.db2.gz HPXRAJRAPDBQDM-QGZVFWFLSA-N 2 1 292.442 3.422 20 0 CGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000192721479 270077459 /nfs/dbraw/zinc/07/74/59/270077459.db2.gz OAZUSMLNYQQKNO-UHFFFAOYSA-N 2 1 295.515 3.057 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252103501 270091480 /nfs/dbraw/zinc/09/14/80/270091480.db2.gz GQJVWERTCQMYNO-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000519797095 270097917 /nfs/dbraw/zinc/09/79/17/270097917.db2.gz ZXRVOXCBVUMUSU-BSDSXHPESA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000519797095 270097918 /nfs/dbraw/zinc/09/79/18/270097918.db2.gz ZXRVOXCBVUMUSU-BSDSXHPESA-N 2 1 296.499 3.292 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1CCC2 ZINC000524758779 270114464 /nfs/dbraw/zinc/11/44/64/270114464.db2.gz WXNNUAQBEBVQLX-SFHVURJKSA-N 2 1 298.474 3.483 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527855629 270140060 /nfs/dbraw/zinc/14/00/60/270140060.db2.gz YXQIIDPJIULETB-LPHOPBHVSA-N 2 1 298.474 3.472 20 0 CGADMP CC(C)c1cccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000527892780 270142450 /nfs/dbraw/zinc/14/24/50/270142450.db2.gz ORTFMGZVCSWFQU-AWEZNQCLSA-N 2 1 271.408 3.437 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527921239 270144227 /nfs/dbraw/zinc/14/42/27/270144227.db2.gz QNSZCTMHGQXQFW-YJBOKZPZSA-N 2 1 274.452 3.457 20 0 CGADMP C/C(Cl)=C/C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528422238 270165101 /nfs/dbraw/zinc/16/51/01/270165101.db2.gz DCSLHWKVMDBPMQ-OLWKXOERSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C/C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528422238 270165102 /nfs/dbraw/zinc/16/51/02/270165102.db2.gz DCSLHWKVMDBPMQ-OLWKXOERSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C/C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528422238 270165103 /nfs/dbraw/zinc/16/51/03/270165103.db2.gz DCSLHWKVMDBPMQ-OLWKXOERSA-N 2 1 268.832 3.078 20 0 CGADMP C/C(Cl)=C/C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528422238 270165104 /nfs/dbraw/zinc/16/51/04/270165104.db2.gz DCSLHWKVMDBPMQ-OLWKXOERSA-N 2 1 268.832 3.078 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC000528368021 270162822 /nfs/dbraw/zinc/16/28/22/270162822.db2.gz MQQYXZOPUVOZDC-UHFFFAOYSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000528772346 270172451 /nfs/dbraw/zinc/17/24/51/270172451.db2.gz HWCJOEJUWJDBFP-AWEZNQCLSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](C)C1CCCCC1 ZINC000528772346 270172452 /nfs/dbraw/zinc/17/24/52/270172452.db2.gz HWCJOEJUWJDBFP-AWEZNQCLSA-N 2 1 263.429 3.340 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529530825 270182541 /nfs/dbraw/zinc/18/25/41/270182541.db2.gz IMWQDYZNMVRXCX-XJFOESAGSA-N 2 1 288.426 3.376 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529530825 270182542 /nfs/dbraw/zinc/18/25/42/270182542.db2.gz IMWQDYZNMVRXCX-XJFOESAGSA-N 2 1 288.426 3.376 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000530242230 270197255 /nfs/dbraw/zinc/19/72/55/270197255.db2.gz ANRLOVZGQLTQNY-RDJZCZTQSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530245320 270197411 /nfs/dbraw/zinc/19/74/11/270197411.db2.gz WDCHQHGJRIZEAZ-GDBMZVCRSA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000530354945 270199252 /nfs/dbraw/zinc/19/92/52/270199252.db2.gz LETQMHSVHDCCHC-GOSISDBHSA-N 2 1 285.435 3.210 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000530513203 270200634 /nfs/dbraw/zinc/20/06/34/270200634.db2.gz RPVXBOZCQCWLOZ-AEFFLSMTSA-N 2 1 283.419 3.063 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCc1c[nH+]cn1C)CCCO2 ZINC000530513273 270200718 /nfs/dbraw/zinc/20/07/18/270200718.db2.gz ZBUZAFIFTXHZBE-QGZVFWFLSA-N 2 1 299.418 3.083 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000531687418 270208593 /nfs/dbraw/zinc/20/85/93/270208593.db2.gz VAVWOMMUDPQKAG-HZPDHXFCSA-N 2 1 274.452 3.459 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000531687418 270208594 /nfs/dbraw/zinc/20/85/94/270208594.db2.gz VAVWOMMUDPQKAG-HZPDHXFCSA-N 2 1 274.452 3.459 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC(C)C)[C@@H](C)C1 ZINC000531989638 270212478 /nfs/dbraw/zinc/21/24/78/270212478.db2.gz HMXPCXFUBFGFLP-IRXDYDNUSA-N 2 1 284.488 3.149 20 0 CGADMP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000532565321 270217332 /nfs/dbraw/zinc/21/73/32/270217332.db2.gz AOGKKOMGFDVTCC-GOEBONIOSA-N 2 1 269.392 3.493 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422827974 274249464 /nfs/dbraw/zinc/24/94/64/274249464.db2.gz AHFYZOZGYMNODQ-XYPHTWIQSA-N 2 1 290.476 3.137 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000358250382 274335519 /nfs/dbraw/zinc/33/55/19/274335519.db2.gz PATYQPRJYZELIN-DQYPLSBCSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000358250382 274335520 /nfs/dbraw/zinc/33/55/20/274335520.db2.gz PATYQPRJYZELIN-DQYPLSBCSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000453213564 274340647 /nfs/dbraw/zinc/34/06/47/274340647.db2.gz CKHPEJMNFAVNBS-IXYNUQLISA-N 2 1 290.476 3.194 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc2ccccc12 ZINC000131713671 274385186 /nfs/dbraw/zinc/38/51/86/274385186.db2.gz LROOWQLGUCRAIK-NEPJUHHUSA-N 2 1 260.406 3.070 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000245601298 274394277 /nfs/dbraw/zinc/39/42/77/274394277.db2.gz OZYVKTMQOZFZBM-PVUWLOKVSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000245601298 274394279 /nfs/dbraw/zinc/39/42/79/274394279.db2.gz OZYVKTMQOZFZBM-PVUWLOKVSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000335034151 274529004 /nfs/dbraw/zinc/52/90/04/274529004.db2.gz JIPFRZMCTBOPHH-ZANVPECISA-N 2 1 282.840 3.074 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423344845 274650992 /nfs/dbraw/zinc/65/09/92/274650992.db2.gz YIPOAHLDGCUSOV-ZBFHGGJFSA-N 2 1 294.439 3.342 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000348259887 275068264 /nfs/dbraw/zinc/06/82/64/275068264.db2.gz MXCRQEZNHNDSTP-XDNAFOTISA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000348259887 275068265 /nfs/dbraw/zinc/06/82/65/275068265.db2.gz MXCRQEZNHNDSTP-XDNAFOTISA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]CCC[NH2+]C1CC1 ZINC000423574390 275069253 /nfs/dbraw/zinc/06/92/53/275069253.db2.gz ZTJBVXWQLJZZNF-UHFFFAOYSA-N 2 1 278.399 3.488 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419360982 275391206 /nfs/dbraw/zinc/39/12/06/275391206.db2.gz AHIIOZPORBIRKM-INIZCTEOSA-N 2 1 282.497 3.080 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)OC1CCCCCC1 ZINC000420324258 275391529 /nfs/dbraw/zinc/39/15/29/275391529.db2.gz HHNSHLIIYRBOSY-DLBZAZTESA-N 2 1 294.483 3.047 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423261616 275585741 /nfs/dbraw/zinc/58/57/41/275585741.db2.gz KGTNWKOOMGMFCS-STQMWFEESA-N 2 1 284.394 3.249 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000464882271 276072872 /nfs/dbraw/zinc/07/28/72/276072872.db2.gz GHIAUHSQSXSWOE-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000464882271 276072873 /nfs/dbraw/zinc/07/28/73/276072873.db2.gz GHIAUHSQSXSWOE-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000464882271 276072874 /nfs/dbraw/zinc/07/28/74/276072874.db2.gz GHIAUHSQSXSWOE-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000423381155 276107293 /nfs/dbraw/zinc/10/72/93/276107293.db2.gz HTJFEMVHCBSERU-KBPBESRZSA-N 2 1 250.430 3.077 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000300415239 276168453 /nfs/dbraw/zinc/16/84/53/276168453.db2.gz UAXCSPUKPMZAEY-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000191065361 276179024 /nfs/dbraw/zinc/17/90/24/276179024.db2.gz MZLYILVDBLXZPH-DOTOQJQBSA-N 2 1 264.457 3.252 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572563 276225490 /nfs/dbraw/zinc/22/54/90/276225490.db2.gz UZWYOUDUBFMRKG-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572563 276225491 /nfs/dbraw/zinc/22/54/91/276225491.db2.gz UZWYOUDUBFMRKG-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572563 276225492 /nfs/dbraw/zinc/22/54/92/276225492.db2.gz UZWYOUDUBFMRKG-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@H](C)C1 ZINC000271942022 276227820 /nfs/dbraw/zinc/22/78/20/276227820.db2.gz BYPZHYVURWIGJC-IZIZEDOESA-N 2 1 286.463 3.427 20 0 CGADMP CCO[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000193433136 276358765 /nfs/dbraw/zinc/35/87/65/276358765.db2.gz QZHWYRUGLZYWJW-UOVPBQLFSA-N 2 1 290.451 3.083 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000422820755 276398440 /nfs/dbraw/zinc/39/84/40/276398440.db2.gz SDMGTCOQXWHRGT-FRRDWIJNSA-N 2 1 279.453 3.209 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000360985286 276568922 /nfs/dbraw/zinc/56/89/22/276568922.db2.gz HACOLRZTIJAKSO-BSDSXHPESA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000414178074 277053436 /nfs/dbraw/zinc/05/34/36/277053436.db2.gz KCZILQXNZWGFBC-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC2CCCCC2)C1 ZINC000459777146 277073528 /nfs/dbraw/zinc/07/35/28/277073528.db2.gz KDMKEOBORMMCQC-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H]2CCC[C@H]21 ZINC000423422875 277172384 /nfs/dbraw/zinc/17/23/84/277172384.db2.gz ZJNBJUWESFBKCU-YTQUADARSA-N 2 1 299.462 3.007 20 0 CGADMP COC(C)(C)[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000340186549 277178192 /nfs/dbraw/zinc/17/81/92/277178192.db2.gz SGRASFZPCKBQHY-GJZGRUSLSA-N 2 1 270.461 3.044 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CS1 ZINC000488434650 277244760 /nfs/dbraw/zinc/24/47/60/277244760.db2.gz JPNSMBICPPEAAV-XQLPTFJDSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CS1 ZINC000488434650 277244762 /nfs/dbraw/zinc/24/47/62/277244762.db2.gz JPNSMBICPPEAAV-XQLPTFJDSA-N 2 1 282.497 3.123 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000268909465 277332712 /nfs/dbraw/zinc/33/27/12/277332712.db2.gz QMSGQAIAIIMZRD-UHOFOFEASA-N 2 1 296.842 3.100 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]12 ZINC000394601805 288002465 /nfs/dbraw/zinc/00/24/65/288002465.db2.gz DJYRTJKYANBICM-ARFHVFGLSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@@H+]1C ZINC000414093980 278029439 /nfs/dbraw/zinc/02/94/39/278029439.db2.gz FYNYYHRRDYTDQG-TUVASFSCSA-N 2 1 282.472 3.041 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@H+]1C ZINC000414093980 278029440 /nfs/dbraw/zinc/02/94/40/278029440.db2.gz FYNYYHRRDYTDQG-TUVASFSCSA-N 2 1 282.472 3.041 20 0 CGADMP CCC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000394936060 288004885 /nfs/dbraw/zinc/00/48/85/288004885.db2.gz ZDRRUXASPNLIND-PRLABOORSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1COC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000396853017 288017190 /nfs/dbraw/zinc/01/71/90/288017190.db2.gz NCZOOKVBLLKSCR-RDJZCZTQSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000352049973 278222741 /nfs/dbraw/zinc/22/27/41/278222741.db2.gz OZWCHHRANVZMPS-HRCADAONSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H](F)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000352049973 278222743 /nfs/dbraw/zinc/22/27/43/278222743.db2.gz OZWCHHRANVZMPS-HRCADAONSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H](F)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000352049973 278222744 /nfs/dbraw/zinc/22/27/44/278222744.db2.gz OZWCHHRANVZMPS-HRCADAONSA-N 2 1 270.436 3.321 20 0 CGADMP C[C@H]([NH2+]CC1(C)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000432860625 278255672 /nfs/dbraw/zinc/25/56/72/278255672.db2.gz TVBMDBHSLWQIHM-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414653807 278265699 /nfs/dbraw/zinc/26/56/99/278265699.db2.gz IJAVNKCMUFJXPD-RYUDHWBXSA-N 2 1 286.341 3.090 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000296534839 278283246 /nfs/dbraw/zinc/28/32/46/278283246.db2.gz SWDSOJPTIWVATP-QWHCGFSZSA-N 2 1 294.389 3.142 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252767073 278308682 /nfs/dbraw/zinc/30/86/82/278308682.db2.gz JHIBRCCIWZLGFL-DMDPSCGWSA-N 2 1 284.350 3.018 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@]1(C)CCCO1 ZINC000340467600 278344171 /nfs/dbraw/zinc/34/41/71/278344171.db2.gz QOQNQBQEJRKSIP-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1csc(Br)c1 ZINC000398176175 288040544 /nfs/dbraw/zinc/04/05/44/288040544.db2.gz IYTAVEMJNSNMKU-UHFFFAOYSA-N 2 1 291.258 3.118 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423299978 278724600 /nfs/dbraw/zinc/72/46/00/278724600.db2.gz QQJPYJQEMPOUHM-OXXUSNJHSA-N 2 1 290.451 3.294 20 0 CGADMP Cc1sc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nc1C(C)C ZINC000422714493 279283295 /nfs/dbraw/zinc/28/32/95/279283295.db2.gz RDJGVCOTGVJDLX-QWHCGFSZSA-N 2 1 281.469 3.182 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414768996 279321700 /nfs/dbraw/zinc/32/17/00/279321700.db2.gz VYCLIQGQVVXXTA-GYSYKLTISA-N 2 1 286.341 3.088 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414768996 279321704 /nfs/dbraw/zinc/32/17/04/279321704.db2.gz VYCLIQGQVVXXTA-GYSYKLTISA-N 2 1 286.341 3.088 20 0 CGADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000414851519 279348895 /nfs/dbraw/zinc/34/88/95/279348895.db2.gz PAAIHGNEIAQKMN-DYVFJYSZSA-N 2 1 278.415 3.426 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000513683603 279350119 /nfs/dbraw/zinc/35/01/19/279350119.db2.gz LOVDLSWECUXUPE-BVPBIZIASA-N 2 1 290.426 3.392 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442718100 279354726 /nfs/dbraw/zinc/35/47/26/279354726.db2.gz PVXFQAZASPWNDQ-UHFFFAOYSA-N 2 1 262.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000312011981 279396068 /nfs/dbraw/zinc/39/60/68/279396068.db2.gz WRLJFUCSVXFQQD-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(C)C)[C@H](C)C1 ZINC000499551714 279397528 /nfs/dbraw/zinc/39/75/28/279397528.db2.gz ZUKSRUKXBFZTQP-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)(C)C)[C@H](C)C1 ZINC000499551714 279397529 /nfs/dbraw/zinc/39/75/29/279397529.db2.gz ZUKSRUKXBFZTQP-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)[C@H](C)C1 ZINC000499551714 279397530 /nfs/dbraw/zinc/39/75/30/279397530.db2.gz ZUKSRUKXBFZTQP-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H]1CC=CCC1 ZINC000516745875 288129438 /nfs/dbraw/zinc/12/94/38/288129438.db2.gz WFGPCAGQJSXADY-TWMKSMIVSA-N 2 1 264.457 3.299 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H]1CC=CCC1 ZINC000516745875 288129441 /nfs/dbraw/zinc/12/94/41/288129441.db2.gz WFGPCAGQJSXADY-TWMKSMIVSA-N 2 1 264.457 3.299 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000020553443 279681523 /nfs/dbraw/zinc/68/15/23/279681523.db2.gz PFLGVUUXMNIKOL-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351848151 288155700 /nfs/dbraw/zinc/15/57/00/288155700.db2.gz CFQQCBIMJPHYGG-UEKVPHQBSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351848151 288155701 /nfs/dbraw/zinc/15/57/01/288155701.db2.gz CFQQCBIMJPHYGG-UEKVPHQBSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC23CCC3)C[C@H](C)O1 ZINC000449103912 288160395 /nfs/dbraw/zinc/16/03/95/288160395.db2.gz SNHSLYNMYGSFTD-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(F)(F)CC)[C@H](C)C1 ZINC000527665000 288185580 /nfs/dbraw/zinc/18/55/80/288185580.db2.gz FCEKWUACJNIMTA-OLZOCXBDSA-N 2 1 276.415 3.378 20 0 CGADMP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435743393 280095610 /nfs/dbraw/zinc/09/56/10/280095610.db2.gz RNNKALDXAGWKHQ-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000474924686 280238935 /nfs/dbraw/zinc/23/89/35/280238935.db2.gz IOOVRYURURAJBB-QYZOEREBSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000474924686 280238939 /nfs/dbraw/zinc/23/89/39/280238939.db2.gz IOOVRYURURAJBB-QYZOEREBSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000474924686 280238941 /nfs/dbraw/zinc/23/89/41/280238941.db2.gz IOOVRYURURAJBB-QYZOEREBSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000474924686 280238943 /nfs/dbraw/zinc/23/89/43/280238943.db2.gz IOOVRYURURAJBB-QYZOEREBSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000339408203 280239097 /nfs/dbraw/zinc/23/90/97/280239097.db2.gz RJTRQPQCDQGJQY-HYVNUMGLSA-N 2 1 260.425 3.095 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335568413 280639209 /nfs/dbraw/zinc/63/92/09/280639209.db2.gz LJFDFDTYHKCTAK-QGZVFWFLSA-N 2 1 288.435 3.365 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140977 280976415 /nfs/dbraw/zinc/97/64/15/280976415.db2.gz XTRGJTOWLJHTPN-AWEZNQCLSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000532219463 288355799 /nfs/dbraw/zinc/35/57/99/288355799.db2.gz XVGHTQDHGZFANJ-QGZVFWFLSA-N 2 1 269.392 3.323 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532446230 288361095 /nfs/dbraw/zinc/36/10/95/288361095.db2.gz NFELLBJVMCAORS-JYJNAYRXSA-N 2 1 250.430 3.338 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000532446230 288361097 /nfs/dbraw/zinc/36/10/97/288361097.db2.gz NFELLBJVMCAORS-JYJNAYRXSA-N 2 1 250.430 3.338 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414697853 282035260 /nfs/dbraw/zinc/03/52/60/282035260.db2.gz CKTJLVNWMGCXAF-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCCCC1 ZINC000510706105 282045247 /nfs/dbraw/zinc/04/52/47/282045247.db2.gz SBLCXRAJFNGDSN-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866500 289057839 /nfs/dbraw/zinc/05/78/39/289057839.db2.gz ZZVCAQCUBGIFEN-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866500 289057844 /nfs/dbraw/zinc/05/78/44/289057844.db2.gz ZZVCAQCUBGIFEN-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866500 289057848 /nfs/dbraw/zinc/05/78/48/289057848.db2.gz ZZVCAQCUBGIFEN-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000550883260 289088040 /nfs/dbraw/zinc/08/80/40/289088040.db2.gz XECXOCMKMDOFLR-CZUORRHYSA-N 2 1 288.460 3.374 20 0 CGADMP CC[C@H]1CCC[N@@H+](C[C@H]2CCCCN2C(C)C)C1 ZINC000551069991 289098101 /nfs/dbraw/zinc/09/81/01/289098101.db2.gz PPTBEXWLTZUVOA-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000552276397 289177529 /nfs/dbraw/zinc/17/75/29/289177529.db2.gz WJSNUOFBTQZHIR-BZUAXINKSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000552276022 289177571 /nfs/dbraw/zinc/17/75/71/289177571.db2.gz IEVNPIVZBVVFAZ-SFFUCWETSA-N 2 1 276.468 3.418 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccsc1 ZINC000552338655 289182738 /nfs/dbraw/zinc/18/27/38/289182738.db2.gz LIWADCHOLAZLRF-ZFWWWQNUSA-N 2 1 266.454 3.143 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccsc1 ZINC000552338655 289182741 /nfs/dbraw/zinc/18/27/41/289182741.db2.gz LIWADCHOLAZLRF-ZFWWWQNUSA-N 2 1 266.454 3.143 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CCCCCC1 ZINC000371466662 289322763 /nfs/dbraw/zinc/32/27/63/289322763.db2.gz QXMNXYNLCDOCPI-KZNAEPCWSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000555002682 289323901 /nfs/dbraw/zinc/32/39/01/289323901.db2.gz KHKDEFXNZKSWBJ-BZUAXINKSA-N 2 1 262.441 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000555002682 289323902 /nfs/dbraw/zinc/32/39/02/289323902.db2.gz KHKDEFXNZKSWBJ-BZUAXINKSA-N 2 1 262.441 3.497 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000513696908 290226378 /nfs/dbraw/zinc/22/63/78/290226378.db2.gz GLFHQWIJSCTJPJ-SUJAAXHWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698164 290262322 /nfs/dbraw/zinc/26/23/22/290262322.db2.gz LLGGTDZRHJCMAN-UTUOFQBUSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698164 290262325 /nfs/dbraw/zinc/26/23/25/290262325.db2.gz LLGGTDZRHJCMAN-UTUOFQBUSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595212 290405837 /nfs/dbraw/zinc/40/58/37/290405837.db2.gz NEPFNRSIGOSSHP-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423389822 297107815 /nfs/dbraw/zinc/10/78/15/297107815.db2.gz JUAJEBSXIJWRFK-BYCMXARLSA-N 2 1 294.826 3.141 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414669942 297399993 /nfs/dbraw/zinc/39/99/93/297399993.db2.gz CGKVSYYXLCVORR-CKEIUWERSA-N 2 1 276.399 3.351 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2ccccn2)c1 ZINC000423026643 302033986 /nfs/dbraw/zinc/03/39/86/302033986.db2.gz QKJXPWMZAAHVBS-VKJFTORMSA-N 2 1 283.419 3.195 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000157653283 302094473 /nfs/dbraw/zinc/09/44/73/302094473.db2.gz PLHZISKFBYNLTK-BQFCYCMXSA-N 2 1 286.463 3.345 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000401729461 321969330 /nfs/dbraw/zinc/96/93/30/321969330.db2.gz AOVGEQQYDCJBLI-GUYCJALGSA-N 2 1 269.392 3.191 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000563654044 322005607 /nfs/dbraw/zinc/00/56/07/322005607.db2.gz BDULEEITWMNHHU-BQFCYCMXSA-N 2 1 289.467 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000563654044 322005609 /nfs/dbraw/zinc/00/56/09/322005609.db2.gz BDULEEITWMNHHU-BQFCYCMXSA-N 2 1 289.467 3.426 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3cccc(F)c3[C@@H]2C)CC[NH2+]1 ZINC000563796192 322010399 /nfs/dbraw/zinc/01/03/99/322010399.db2.gz UQFKTKWZUBQLFI-HZSPNIEDSA-N 2 1 276.399 3.133 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CCC(C)C)c1 ZINC000563806492 322011048 /nfs/dbraw/zinc/01/10/48/322011048.db2.gz XPVKRRWSGVUFTC-SFHVURJKSA-N 2 1 292.467 3.025 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000564822020 322045007 /nfs/dbraw/zinc/04/50/07/322045007.db2.gz BLLGZTQSFBBHLU-LLVKDONJSA-N 2 1 283.485 3.399 20 0 CGADMP Cc1cccc2c1ccnc2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000564893277 322048208 /nfs/dbraw/zinc/04/82/08/322048208.db2.gz KTPLDMVTTSOQBY-KGLIPLIRSA-N 2 1 269.392 3.438 20 0 CGADMP CCC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)C ZINC000565160529 322063395 /nfs/dbraw/zinc/06/33/95/322063395.db2.gz CJHUCAKYKKIGHX-CQSZACIVSA-N 2 1 251.418 3.157 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000565508441 322080217 /nfs/dbraw/zinc/08/02/17/322080217.db2.gz SZTQYYFPOQMULT-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000565508440 322080451 /nfs/dbraw/zinc/08/04/51/322080451.db2.gz SZTQYYFPOQMULT-NJAFHUGGSA-N 2 1 278.484 3.476 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000565747751 322089595 /nfs/dbraw/zinc/08/95/95/322089595.db2.gz QVOHJJCPZPZIGV-KRWDZBQOSA-N 2 1 288.479 3.458 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000565880100 322095375 /nfs/dbraw/zinc/09/53/75/322095375.db2.gz HQSPFYXWTVWHJX-INIZCTEOSA-N 2 1 289.467 3.367 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000566229888 322110610 /nfs/dbraw/zinc/11/06/10/322110610.db2.gz RIWHLXUTNBRFGW-BDAKNGLRSA-N 2 1 278.293 3.060 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566331531 322116446 /nfs/dbraw/zinc/11/64/46/322116446.db2.gz UWXHHIHWECVUMS-SPUZQDLCSA-N 2 1 290.426 3.377 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)c(C)c1 ZINC000566417028 322121302 /nfs/dbraw/zinc/12/13/02/322121302.db2.gz MOSYWEZHUBNPJV-QGZVFWFLSA-N 2 1 297.446 3.459 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)c(C)c1 ZINC000566417028 322121304 /nfs/dbraw/zinc/12/13/04/322121304.db2.gz MOSYWEZHUBNPJV-QGZVFWFLSA-N 2 1 297.446 3.459 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000567068669 322149507 /nfs/dbraw/zinc/14/95/07/322149507.db2.gz ZTBJUUOYRCBUAQ-NXOAAHMSSA-N 2 1 264.457 3.441 20 0 CGADMP CC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000567201115 322154314 /nfs/dbraw/zinc/15/43/14/322154314.db2.gz KUSDBOPSQSAKDT-JFIYKMOQSA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000567201115 322154317 /nfs/dbraw/zinc/15/43/17/322154317.db2.gz KUSDBOPSQSAKDT-JFIYKMOQSA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000567201115 322154320 /nfs/dbraw/zinc/15/43/20/322154320.db2.gz KUSDBOPSQSAKDT-JFIYKMOQSA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000567201115 322154323 /nfs/dbraw/zinc/15/43/23/322154323.db2.gz KUSDBOPSQSAKDT-JFIYKMOQSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@@H]1Cc2[nH+]cn(C[C@H]3CC[C@H](C[NH3+])CC3)c2C[C@@H]1C ZINC000567808689 322178693 /nfs/dbraw/zinc/17/86/93/322178693.db2.gz ZEONAOTUDMYINU-LXTVHRRPSA-N 2 1 275.440 3.019 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CC34CC4)CC23CC3)cc1 ZINC000567853626 322179867 /nfs/dbraw/zinc/17/98/67/322179867.db2.gz IIOTXRAHGFXADP-SJORKVTESA-N 2 1 282.431 3.326 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CC34CC4)CC23CC3)cc1 ZINC000567853626 322179870 /nfs/dbraw/zinc/17/98/70/322179870.db2.gz IIOTXRAHGFXADP-SJORKVTESA-N 2 1 282.431 3.326 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000569352124 322244449 /nfs/dbraw/zinc/24/44/49/322244449.db2.gz VGTPZWDOIWULPR-GFCCVEGCSA-N 2 1 289.345 3.017 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000569352124 322244451 /nfs/dbraw/zinc/24/44/51/322244451.db2.gz VGTPZWDOIWULPR-GFCCVEGCSA-N 2 1 289.345 3.017 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCC[NH2+]C(C)C)CCCO2 ZINC000569447791 322247671 /nfs/dbraw/zinc/24/76/71/322247671.db2.gz UCENEQWLXAILRU-QGZVFWFLSA-N 2 1 290.451 3.495 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000570502639 322274938 /nfs/dbraw/zinc/27/49/38/322274938.db2.gz HOGSHRXCCKSWIN-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2C=CCCCCC2)C1 ZINC000570502639 322274937 /nfs/dbraw/zinc/27/49/37/322274937.db2.gz HOGSHRXCCKSWIN-HZPDHXFCSA-N 2 1 250.430 3.149 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000571157949 322291287 /nfs/dbraw/zinc/29/12/87/322291287.db2.gz NFUGJNXYMMCVTR-WMZOPIPTSA-N 2 1 296.499 3.029 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000571823178 322308808 /nfs/dbraw/zinc/30/88/08/322308808.db2.gz AKHLOPGLDHIRSU-IOBAAEILSA-N 2 1 288.435 3.028 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000572494007 322340188 /nfs/dbraw/zinc/34/01/88/322340188.db2.gz HNPGWYIFBXNZNB-INIZCTEOSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000572494007 322340190 /nfs/dbraw/zinc/34/01/90/322340190.db2.gz HNPGWYIFBXNZNB-INIZCTEOSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000572494007 322340192 /nfs/dbraw/zinc/34/01/92/322340192.db2.gz HNPGWYIFBXNZNB-INIZCTEOSA-N 2 1 283.419 3.151 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000572924464 322361348 /nfs/dbraw/zinc/36/13/48/322361348.db2.gz SSBGIYDXKMMJTO-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000572924464 322361352 /nfs/dbraw/zinc/36/13/52/322361352.db2.gz SSBGIYDXKMMJTO-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CCCC1 ZINC000395688353 329294481 /nfs/dbraw/zinc/29/44/81/329294481.db2.gz YQEGTUCXWOUDJZ-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000583092637 329314991 /nfs/dbraw/zinc/31/49/91/329314991.db2.gz VABAKYWMLJIXBJ-ZDUSSCGKSA-N 2 1 283.375 3.450 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1csc(Cl)c1 ZINC000191276577 330132485 /nfs/dbraw/zinc/13/24/85/330132485.db2.gz HTQFQKMYTDXKRY-WDEREUQCSA-N 2 1 272.845 3.394 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000191276577 330132486 /nfs/dbraw/zinc/13/24/86/330132486.db2.gz HTQFQKMYTDXKRY-WDEREUQCSA-N 2 1 272.845 3.394 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000580483875 330256924 /nfs/dbraw/zinc/25/69/24/330256924.db2.gz VCFVYBUMCRMHMN-JQUKHEMZSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000580483875 330256926 /nfs/dbraw/zinc/25/69/26/330256926.db2.gz VCFVYBUMCRMHMN-JQUKHEMZSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000580483875 330256927 /nfs/dbraw/zinc/25/69/27/330256927.db2.gz VCFVYBUMCRMHMN-JQUKHEMZSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C/c1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000580483875 330256929 /nfs/dbraw/zinc/25/69/29/330256929.db2.gz VCFVYBUMCRMHMN-JQUKHEMZSA-N 2 1 272.436 3.362 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000174629706 335161202 /nfs/dbraw/zinc/16/12/02/335161202.db2.gz PZQSKJFDNHQWHL-QAPCUYQASA-N 2 1 290.451 3.294 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576755023 335243791 /nfs/dbraw/zinc/24/37/91/335243791.db2.gz BKFMIEYZBYDQMB-CVEARBPZSA-N 2 1 295.430 3.369 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000578022966 335463857 /nfs/dbraw/zinc/46/38/57/335463857.db2.gz KPYDSKUMOTXSJE-PKOBYXMFSA-N 2 1 297.446 3.354 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)c2sccc21 ZINC000581470815 336085283 /nfs/dbraw/zinc/08/52/83/336085283.db2.gz PCNLINPZNXDBPV-SMDDNHRTSA-N 2 1 275.421 3.252 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581720467 336136991 /nfs/dbraw/zinc/13/69/91/336136991.db2.gz ZBYDSSHSLFYERI-CVEARBPZSA-N 2 1 290.451 3.199 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000423299956 533771193 /nfs/dbraw/zinc/77/11/93/533771193.db2.gz QOPADIZFWLDIBQ-YUMQZZPRSA-N 2 1 279.186 3.378 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521760 534086467 /nfs/dbraw/zinc/08/64/67/534086467.db2.gz YQBHICADCPJQNE-ZDUSSCGKSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000449094967 534258578 /nfs/dbraw/zinc/25/85/78/534258578.db2.gz VHZMJUWFQGRTPT-GJZGRUSLSA-N 2 1 278.440 3.311 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000449094967 534258582 /nfs/dbraw/zinc/25/85/82/534258582.db2.gz VHZMJUWFQGRTPT-GJZGRUSLSA-N 2 1 278.440 3.311 20 0 CGADMP FCCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000367451275 534428568 /nfs/dbraw/zinc/42/85/68/534428568.db2.gz QJDAGPQZKKIIIF-HNNXBMFYSA-N 2 1 256.409 3.077 20 0 CGADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000157593198 519760692 /nfs/dbraw/zinc/76/06/92/519760692.db2.gz WUOKBHYDZNKHLS-WCXIOVBPSA-N 2 1 294.483 3.043 20 0 CGADMP c1cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)c2o1 ZINC000449083583 534477095 /nfs/dbraw/zinc/47/70/95/534477095.db2.gz UKQZGCLJSHWDRU-HOTGVXAUSA-N 2 1 270.376 3.149 20 0 CGADMP c1cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)c2o1 ZINC000449083583 534477101 /nfs/dbraw/zinc/47/71/01/534477101.db2.gz UKQZGCLJSHWDRU-HOTGVXAUSA-N 2 1 270.376 3.149 20 0 CGADMP c1ccc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173872109 534485340 /nfs/dbraw/zinc/48/53/40/534485340.db2.gz IMRNQLSCFNFXKP-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423233522 534498882 /nfs/dbraw/zinc/49/88/82/534498882.db2.gz KAJKNBIPJHNMFS-SJORKVTESA-N 2 1 258.409 3.260 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000084194234 534546394 /nfs/dbraw/zinc/54/63/94/534546394.db2.gz MWOMDKDBIYUVHA-INIZCTEOSA-N 2 1 272.417 3.087 20 0 CGADMP Cc1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000449082662 534554503 /nfs/dbraw/zinc/55/45/03/534554503.db2.gz OUAISCDHZPRJBG-ZDUSSCGKSA-N 2 1 281.469 3.053 20 0 CGADMP Cc1occc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358014840 534574264 /nfs/dbraw/zinc/57/42/64/534574264.db2.gz DMSLXLQSERVPSN-UHFFFAOYSA-N 2 1 276.424 3.475 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccsc1 ZINC000295895169 522833190 /nfs/dbraw/zinc/83/31/90/522833190.db2.gz IJQJLQAYXMGMJF-CQSZACIVSA-N 2 1 263.410 3.384 20 0 CGADMP CC[C@@H](c1ccncc1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000162551472 523117316 /nfs/dbraw/zinc/11/73/16/523117316.db2.gz WYIIOVOBUSOENC-KRWDZBQOSA-N 2 1 286.423 3.450 20 0 CGADMP CC[C@@H](c1ccncc1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000162551472 523117319 /nfs/dbraw/zinc/11/73/19/523117319.db2.gz WYIIOVOBUSOENC-KRWDZBQOSA-N 2 1 286.423 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000111824667 523201924 /nfs/dbraw/zinc/20/19/24/523201924.db2.gz GLZCTQGTVYJDHD-CQSZACIVSA-N 2 1 297.240 3.023 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Cl)cs1 ZINC000086332034 524046562 /nfs/dbraw/zinc/04/65/62/524046562.db2.gz DGBXYWDCJZOFOQ-UHFFFAOYSA-N 2 1 260.834 3.079 20 0 CGADMP Cc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1F ZINC000110974806 524575399 /nfs/dbraw/zinc/57/53/99/524575399.db2.gz RZWWCVDDYDAVAQ-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CCC[NH2+]1 ZINC000062657627 524617360 /nfs/dbraw/zinc/61/73/60/524617360.db2.gz JUWOZNPCGLXVAN-AWEZNQCLSA-N 2 1 260.425 3.168 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CCC[NH2+]1 ZINC000062657627 524617365 /nfs/dbraw/zinc/61/73/65/524617365.db2.gz JUWOZNPCGLXVAN-AWEZNQCLSA-N 2 1 260.425 3.168 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000049553539 525597360 /nfs/dbraw/zinc/59/73/60/525597360.db2.gz NUBJXPWAEGIDAD-WDEREUQCSA-N 2 1 272.795 3.470 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157563516 526409337 /nfs/dbraw/zinc/40/93/37/526409337.db2.gz KADSILHLKRHGRK-GYTBAZASSA-N 2 1 288.410 3.288 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156091494 527192414 /nfs/dbraw/zinc/19/24/14/527192414.db2.gz JVNHJORMHGZQGH-LBPRGKRZSA-N 2 1 268.351 3.185 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000449379773 527879426 /nfs/dbraw/zinc/87/94/26/527879426.db2.gz UOSRPZPTVGWTLQ-RDBSUJKOSA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424375188 528208882 /nfs/dbraw/zinc/20/88/82/528208882.db2.gz MORNYFMHRCFDHX-IAOVAPTHSA-N 2 1 276.424 3.394 20 0 CGADMP CC[N@H+](CCC1CC[NH+](Cc2ccon2)CC1)CC(C)C ZINC000358740150 528431037 /nfs/dbraw/zinc/43/10/37/528431037.db2.gz WDPJDTFYCHUMSS-UHFFFAOYSA-N 2 1 293.455 3.255 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccon2)CC1)CC(C)C ZINC000358740150 528431041 /nfs/dbraw/zinc/43/10/41/528431041.db2.gz WDPJDTFYCHUMSS-UHFFFAOYSA-N 2 1 293.455 3.255 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423278630 528531956 /nfs/dbraw/zinc/53/19/56/528531956.db2.gz RAZVNLFGBRSLTI-ZANVPECISA-N 2 1 258.768 3.113 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000414115136 528670597 /nfs/dbraw/zinc/67/05/97/528670597.db2.gz MPLAAZYHCBWPCC-AVEIZBFRSA-N 2 1 296.499 3.148 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423297679 528820307 /nfs/dbraw/zinc/82/03/07/528820307.db2.gz LIIKYFNDXWCXLV-HJWJTTGWSA-N 2 1 260.425 3.286 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423297680 528821874 /nfs/dbraw/zinc/82/18/74/528821874.db2.gz LIIKYFNDXWCXLV-IWCQGFGOSA-N 2 1 260.425 3.286 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423296835 528822330 /nfs/dbraw/zinc/82/23/30/528822330.db2.gz HQJYTWYEHUKYBX-WMLDXEAASA-N 2 1 276.424 3.180 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)[NH+](C)C ZINC000424257145 528822796 /nfs/dbraw/zinc/82/27/96/528822796.db2.gz AZBWACFYPUNSTD-RSJGLCBASA-N 2 1 296.499 3.146 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])on1 ZINC000422788792 528884500 /nfs/dbraw/zinc/88/45/00/528884500.db2.gz RNFFRYCKZMBDQG-ZFWWWQNUSA-N 2 1 279.428 3.185 20 0 CGADMP CCC[C@@H](C)[C@H](CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519749 528904362 /nfs/dbraw/zinc/90/43/62/528904362.db2.gz QLBUAWQWXXQTDC-CPFNUKBASA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cnccc2C(C)(C)C)CC1 ZINC000414234868 529001328 /nfs/dbraw/zinc/00/13/28/529001328.db2.gz STVBEPPAZWWUOU-UHFFFAOYSA-N 2 1 289.467 3.342 20 0 CGADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000414188630 529009469 /nfs/dbraw/zinc/00/94/69/529009469.db2.gz QMLZXPVWSFPTNN-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(OC)cc1 ZINC000423270624 529009602 /nfs/dbraw/zinc/00/96/02/529009602.db2.gz IEXDLFLKKOEYDR-HZPDHXFCSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423275398 529069174 /nfs/dbraw/zinc/06/91/74/529069174.db2.gz NDDDEUPJLAQVDB-GXFFZTMASA-N 2 1 290.329 3.219 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000423259917 529069983 /nfs/dbraw/zinc/06/99/83/529069983.db2.gz GBJOUYVFRBTPPK-RKDXNWHRSA-N 2 1 291.258 3.145 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459741047 534992992 /nfs/dbraw/zinc/99/29/92/534992992.db2.gz UYOBNHVEQNGTMF-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP CC[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470022102 535745545 /nfs/dbraw/zinc/74/55/45/535745545.db2.gz GUNHQJNNYMTVAR-UAGQMJEPSA-N 2 1 258.409 3.007 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470022102 535745550 /nfs/dbraw/zinc/74/55/50/535745550.db2.gz GUNHQJNNYMTVAR-UAGQMJEPSA-N 2 1 258.409 3.007 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccsc2Cl)C1 ZINC000459726887 536384216 /nfs/dbraw/zinc/38/42/16/536384216.db2.gz CASVVMMFDRIJDO-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459734111 536384422 /nfs/dbraw/zinc/38/44/22/536384422.db2.gz GUDALTNQKKNNCO-IPJUCJBFSA-N 2 1 286.463 3.428 20 0 CGADMP COc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)C2CC2)cc1 ZINC000124737254 536857856 /nfs/dbraw/zinc/85/78/56/536857856.db2.gz PAPRQOQLLSWKCX-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP COc1ccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)cc1 ZINC000124737254 536857857 /nfs/dbraw/zinc/85/78/57/536857857.db2.gz PAPRQOQLLSWKCX-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP COc1ccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000124737254 536857858 /nfs/dbraw/zinc/85/78/58/536857858.db2.gz PAPRQOQLLSWKCX-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP COc1ccc(C[NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000124737254 536857861 /nfs/dbraw/zinc/85/78/61/536857861.db2.gz PAPRQOQLLSWKCX-MRXNPFEDSA-N 2 1 288.435 3.144 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459741214 536980914 /nfs/dbraw/zinc/98/09/14/536980914.db2.gz VFCCKMALFUCMIH-DXWDOBMASA-N 2 1 288.435 3.030 20 0 CGADMP CCOc1ccccc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222927829 572361791 /nfs/dbraw/zinc/36/17/91/572361791.db2.gz POQLYXAAROIYIB-KKUMJFAQSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000222927829 572361795 /nfs/dbraw/zinc/36/17/95/572361795.db2.gz POQLYXAAROIYIB-KKUMJFAQSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222927829 572361798 /nfs/dbraw/zinc/36/17/98/572361798.db2.gz POQLYXAAROIYIB-KKUMJFAQSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222927829 572361803 /nfs/dbraw/zinc/36/18/03/572361803.db2.gz POQLYXAAROIYIB-KKUMJFAQSA-N 2 1 276.424 3.219 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000166452599 572855870 /nfs/dbraw/zinc/85/58/70/572855870.db2.gz APRSDBKNOSVPLB-DZGCQCFKSA-N 2 1 293.480 3.025 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000749287430 572991668 /nfs/dbraw/zinc/99/16/68/572991668.db2.gz HVWLWYZSBAKNRE-DLBZAZTESA-N 2 1 283.419 3.197 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245115 618081948 /nfs/dbraw/zinc/08/19/48/618081948.db2.gz UVKKNJGAYRBNFC-BXUZGUMPSA-N 2 1 252.789 3.072 20 0 CGADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cnc1F ZINC000891746347 618274157 /nfs/dbraw/zinc/27/41/57/618274157.db2.gz SYFWPDVIWSJGQF-UHFFFAOYSA-N 2 1 293.430 3.081 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000892053381 618507009 /nfs/dbraw/zinc/50/70/09/618507009.db2.gz VFYNNXGKYZGFGH-QGZVFWFLSA-N 2 1 290.476 3.118 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(CCCOC)CCC2)C1 ZINC000892132970 618551506 /nfs/dbraw/zinc/55/15/06/618551506.db2.gz DOKONORKLBYQKN-KRWDZBQOSA-N 2 1 296.499 3.247 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(CCCOC)CCC2)C1 ZINC000892132970 618551508 /nfs/dbraw/zinc/55/15/08/618551508.db2.gz DOKONORKLBYQKN-KRWDZBQOSA-N 2 1 296.499 3.247 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2(CCCOC)CCC2)C1 ZINC000892132970 618551510 /nfs/dbraw/zinc/55/15/10/618551510.db2.gz DOKONORKLBYQKN-KRWDZBQOSA-N 2 1 296.499 3.247 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782184052 618736511 /nfs/dbraw/zinc/73/65/11/618736511.db2.gz QEIORBZZROREAV-CQSZACIVSA-N 2 1 278.415 3.030 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(C2CCC2)c1 ZINC000926557659 618740919 /nfs/dbraw/zinc/74/09/19/618740919.db2.gz DDAKGONFFPVCAN-CQSZACIVSA-N 2 1 290.455 3.133 20 0 CGADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000235469397 618801167 /nfs/dbraw/zinc/80/11/67/618801167.db2.gz DBHASMOIZZQGDN-FXAINCCUSA-N 2 1 258.287 3.062 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CCCCC1 ZINC000924559613 618832055 /nfs/dbraw/zinc/83/20/55/618832055.db2.gz LRKOEKSDPGYJIG-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H](C2CC2)C2CCOCC2)CCCCC1 ZINC000924560001 618833112 /nfs/dbraw/zinc/83/31/12/618833112.db2.gz NUTRKPUHLJVOAT-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP COC1CCC(CCN[C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925648680 619106561 /nfs/dbraw/zinc/10/65/61/619106561.db2.gz WRSBAZXKMVTZHB-HRSCSKTISA-N 2 1 290.451 3.260 20 0 CGADMP COC1CCC(CC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925648680 619106564 /nfs/dbraw/zinc/10/65/64/619106564.db2.gz WRSBAZXKMVTZHB-HRSCSKTISA-N 2 1 290.451 3.260 20 0 CGADMP Clc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925655902 619112334 /nfs/dbraw/zinc/11/23/34/619112334.db2.gz MIESAPRWXFKZCN-BPUTZDHNSA-N 2 1 290.838 3.460 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000931425586 619159602 /nfs/dbraw/zinc/15/96/02/619159602.db2.gz GQVUNLJVOIOGME-OCCSQVGLSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000931425586 619159607 /nfs/dbraw/zinc/15/96/07/619159607.db2.gz GQVUNLJVOIOGME-OCCSQVGLSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000931425586 619159609 /nfs/dbraw/zinc/15/96/09/619159609.db2.gz GQVUNLJVOIOGME-OCCSQVGLSA-N 2 1 298.352 3.089 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000925724910 619181657 /nfs/dbraw/zinc/18/16/57/619181657.db2.gz NXCAYIJPAXFDKJ-NHYWBVRUSA-N 2 1 291.826 3.094 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2csc3ccccc23)C[C@H]1C[NH3+] ZINC000253194599 619192331 /nfs/dbraw/zinc/19/23/31/619192331.db2.gz QJCOAPUXAGGHGR-QWHCGFSZSA-N 2 1 274.433 3.318 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@]12C[C@@H]1CCCC2)c1ccccc1 ZINC000925802906 619254783 /nfs/dbraw/zinc/25/47/83/619254783.db2.gz SZQNHEBOBOROQP-QSPRXWTASA-N 2 1 258.409 3.245 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC[NH2+]C1 ZINC000261703624 619375130 /nfs/dbraw/zinc/37/51/30/619375130.db2.gz CSVZDTIHNGHORM-ZWKOTPCHSA-N 2 1 272.436 3.256 20 0 CGADMP CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767648 619403875 /nfs/dbraw/zinc/40/38/75/619403875.db2.gz MBNSNYLIXQZOSE-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1c[nH]cn1 ZINC000894178402 619406981 /nfs/dbraw/zinc/40/69/81/619406981.db2.gz HHJTUBBKISWKHC-OAHLLOKOSA-N 2 1 298.434 3.074 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cnc[nH]1 ZINC000894178402 619406983 /nfs/dbraw/zinc/40/69/83/619406983.db2.gz HHJTUBBKISWKHC-OAHLLOKOSA-N 2 1 298.434 3.074 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(O)cc(F)c2)C1 ZINC000924959601 619461455 /nfs/dbraw/zinc/46/14/55/619461455.db2.gz KERGSBJWVFBGEZ-ZIAGYGMSSA-N 2 1 294.414 3.302 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(O)cc(F)c2)C1 ZINC000924959601 619461462 /nfs/dbraw/zinc/46/14/62/619461462.db2.gz KERGSBJWVFBGEZ-ZIAGYGMSSA-N 2 1 294.414 3.302 20 0 CGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000924958701 619461552 /nfs/dbraw/zinc/46/15/52/619461552.db2.gz GIVHWVLKVAJIBC-ZACQAIPSSA-N 2 1 284.488 3.026 20 0 CGADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000262038041 619559828 /nfs/dbraw/zinc/55/98/28/619559828.db2.gz OUKCIGJCJLEWRT-UHFFFAOYSA-N 2 1 278.827 3.224 20 0 CGADMP CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895379367 619816374 /nfs/dbraw/zinc/81/63/74/619816374.db2.gz VCWLUUQKPMWVNV-DOTOQJQBSA-N 2 1 292.471 3.016 20 0 CGADMP CC(C)n1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895379367 619816375 /nfs/dbraw/zinc/81/63/75/619816375.db2.gz VCWLUUQKPMWVNV-DOTOQJQBSA-N 2 1 292.471 3.016 20 0 CGADMP CC[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621673 620410739 /nfs/dbraw/zinc/41/07/39/620410739.db2.gz NFPOYKFBNGHPHY-BPQIPLTHSA-N 2 1 272.436 3.064 20 0 CGADMP CC[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621673 620410747 /nfs/dbraw/zinc/41/07/47/620410747.db2.gz NFPOYKFBNGHPHY-BPQIPLTHSA-N 2 1 272.436 3.064 20 0 CGADMP CC[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621673 620410751 /nfs/dbraw/zinc/41/07/51/620410751.db2.gz NFPOYKFBNGHPHY-BPQIPLTHSA-N 2 1 272.436 3.064 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000924650972 620556120 /nfs/dbraw/zinc/55/61/20/620556120.db2.gz OEGYBGNBZKFLOR-XWTMOSNGSA-N 2 1 296.499 3.004 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000924687765 620563122 /nfs/dbraw/zinc/56/31/22/620563122.db2.gz PQMWMDPYAGXGQU-CABCVRRESA-N 2 1 291.439 3.092 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C/C=C\Cl)CC1 ZINC000898434915 620587761 /nfs/dbraw/zinc/58/77/61/620587761.db2.gz YTHRNXCUFMIIQE-PZGNSEATSA-N 2 1 270.848 3.372 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000042390315 620830973 /nfs/dbraw/zinc/83/09/73/620830973.db2.gz RZROMSRUZQGASI-INIZCTEOSA-N 2 1 254.377 3.024 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc2ccccc21 ZINC000042390315 620830975 /nfs/dbraw/zinc/83/09/75/620830975.db2.gz RZROMSRUZQGASI-INIZCTEOSA-N 2 1 254.377 3.024 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000902418734 621310448 /nfs/dbraw/zinc/31/04/48/621310448.db2.gz ZDFQXYUYVSOECA-KRWDZBQOSA-N 2 1 266.388 3.051 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cncs1 ZINC000902454461 621332882 /nfs/dbraw/zinc/33/28/82/621332882.db2.gz HUQOOKGIHJLQLA-JHJVBQTASA-N 2 1 267.442 3.105 20 0 CGADMP C1CC1([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000902725946 621413238 /nfs/dbraw/zinc/41/32/38/621413238.db2.gz GGXGHNUHIPAOTE-CVEARBPZSA-N 2 1 262.441 3.316 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000902793597 621450206 /nfs/dbraw/zinc/45/02/06/621450206.db2.gz LCOUAQFJPRZEEL-IXDOHACOSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902832767 621466875 /nfs/dbraw/zinc/46/68/75/621466875.db2.gz ZVBFGPFPGGOKMU-ALXJQNPVSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902832769 621466904 /nfs/dbraw/zinc/46/69/04/621466904.db2.gz ZVBFGPFPGGOKMU-HZPDHXFCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000902872006 621475078 /nfs/dbraw/zinc/47/50/78/621475078.db2.gz WAXQRDIFIFVOSZ-YVSFHVDLSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000903016535 621519280 /nfs/dbraw/zinc/51/92/80/621519280.db2.gz GUIABZFONYMFHU-AEFFLSMTSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000903016537 621520189 /nfs/dbraw/zinc/52/01/89/621520189.db2.gz GUIABZFONYMFHU-FUHWJXTLSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903056239 621545298 /nfs/dbraw/zinc/54/52/98/621545298.db2.gz SCUDSGZRWVYYTO-ZVRJUHEZSA-N 2 1 270.420 3.495 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCCS1 ZINC000903146758 621599250 /nfs/dbraw/zinc/59/92/50/621599250.db2.gz AZJADNLHPPDYFK-WDVRLDOZSA-N 2 1 280.481 3.020 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000841075519 621605343 /nfs/dbraw/zinc/60/53/43/621605343.db2.gz RUVDNKDNOCUOAU-OLZOCXBDSA-N 2 1 262.388 3.180 20 0 CGADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903196406 621622370 /nfs/dbraw/zinc/62/23/70/621622370.db2.gz NRPNVONZNOIVTP-SBLRLLDBSA-N 2 1 292.467 3.080 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000903206212 621629841 /nfs/dbraw/zinc/62/98/41/621629841.db2.gz PHYSTJHDUFHVHY-HYWGXUHLSA-N 2 1 274.452 3.170 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)[C@H]2CCC[C@H]21 ZINC000903280596 621660424 /nfs/dbraw/zinc/66/04/24/621660424.db2.gz WALJWDRRXJLUCL-LVQVYYBASA-N 2 1 262.441 3.172 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903718588 621796242 /nfs/dbraw/zinc/79/62/42/621796242.db2.gz PFTJHPKMNLWVAF-MAUKXSAKSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@H]1c2ccsc2CC[N@@H+]1CCCCCC[NH3+] ZINC000042781824 621807739 /nfs/dbraw/zinc/80/77/39/621807739.db2.gz OBDHPWVLNPPJKQ-LBPRGKRZSA-N 2 1 252.427 3.186 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCC2CCC2)CCC1 ZINC000903811245 621813975 /nfs/dbraw/zinc/81/39/75/621813975.db2.gz KHJDTLZTKUZVGH-OAHLLOKOSA-N 2 1 250.430 3.160 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC000903847103 621820482 /nfs/dbraw/zinc/82/04/82/621820482.db2.gz SUFTZYMTFXJMDY-BPUTZDHNSA-N 2 1 278.827 3.084 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000903885409 621826622 /nfs/dbraw/zinc/82/66/22/621826622.db2.gz HFYPROQLLJIQHA-SWLSCSKDSA-N 2 1 280.362 3.121 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000903885409 621826623 /nfs/dbraw/zinc/82/66/23/621826623.db2.gz HFYPROQLLJIQHA-SWLSCSKDSA-N 2 1 280.362 3.121 20 0 CGADMP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000903884902 621826645 /nfs/dbraw/zinc/82/66/45/621826645.db2.gz HVGVXMYUDMQQRW-YPMHNXCESA-N 2 1 286.366 3.061 20 0 CGADMP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000903884902 621826646 /nfs/dbraw/zinc/82/66/46/621826646.db2.gz HVGVXMYUDMQQRW-YPMHNXCESA-N 2 1 286.366 3.061 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903894876 621828171 /nfs/dbraw/zinc/82/81/71/621828171.db2.gz GXYFTKPBQFUYKZ-YZDRTPDPSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903925654 621834282 /nfs/dbraw/zinc/83/42/82/621834282.db2.gz PEAREWQFBYUPIC-HUUCEWRRSA-N 2 1 284.394 3.360 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c2ccccc21 ZINC000903933944 621835315 /nfs/dbraw/zinc/83/53/15/621835315.db2.gz BPUPPVYLTIWOGL-UGFHNGPFSA-N 2 1 282.378 3.443 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1c1ccccc1 ZINC000904326650 621907325 /nfs/dbraw/zinc/90/73/25/621907325.db2.gz PITYORRTCAZQGG-LMSBXDPUSA-N 2 1 272.436 3.239 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326473 621907612 /nfs/dbraw/zinc/90/76/12/621907612.db2.gz KHQRDJFKQVOYTH-UPJWGTAASA-N 2 1 281.469 3.305 20 0 CGADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1c1ccccc1 ZINC000904326651 621907721 /nfs/dbraw/zinc/90/77/21/621907721.db2.gz PITYORRTCAZQGG-ONIAQPFYSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325288 621907761 /nfs/dbraw/zinc/90/77/61/621907761.db2.gz VBRNIPUIEOHDHU-IXDOHACOSA-N 2 1 260.425 3.067 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000904358321 621913156 /nfs/dbraw/zinc/91/31/56/621913156.db2.gz LBTVNPVZSJDSQY-SJORKVTESA-N 2 1 291.483 3.210 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000904411388 621919028 /nfs/dbraw/zinc/91/90/28/621919028.db2.gz UXCJWHDHPVEWAW-IRXDYDNUSA-N 2 1 290.451 3.152 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000904406914 621919293 /nfs/dbraw/zinc/91/92/93/621919293.db2.gz WWAIWJBHJCFYJY-OAHLLOKOSA-N 2 1 288.435 3.179 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC[C@H]21 ZINC000906590433 622251663 /nfs/dbraw/zinc/25/16/63/622251663.db2.gz JEXMOMUKIVCAFD-VDHUWJSZSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC[C@H]21 ZINC000906590433 622251665 /nfs/dbraw/zinc/25/16/65/622251665.db2.gz JEXMOMUKIVCAFD-VDHUWJSZSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC[C@H]21 ZINC000906590433 622251666 /nfs/dbraw/zinc/25/16/66/622251666.db2.gz JEXMOMUKIVCAFD-VDHUWJSZSA-N 2 1 288.410 3.098 20 0 CGADMP C[N@@H+](Cc1ccc(Br)cc1)C1CCC([NH3+])CC1 ZINC000055144466 622813344 /nfs/dbraw/zinc/81/33/44/622813344.db2.gz DJTGQPZYWGUXJP-UHFFFAOYSA-N 2 1 297.240 3.151 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000057994488 622895513 /nfs/dbraw/zinc/89/55/13/622895513.db2.gz CYEDHDKXKWVDNL-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000230772980 623268014 /nfs/dbraw/zinc/26/80/14/623268014.db2.gz QCIAUTOMASVKKK-WNRNVDISSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000230772980 623268018 /nfs/dbraw/zinc/26/80/18/623268018.db2.gz QCIAUTOMASVKKK-WNRNVDISSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2)[C@H](C)C1 ZINC000764614445 623921751 /nfs/dbraw/zinc/92/17/51/623921751.db2.gz CRCLOXAUSGWKNS-NVXWUHKLSA-N 2 1 292.492 3.240 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000070074224 624947320 /nfs/dbraw/zinc/94/73/20/624947320.db2.gz YLARAFHCNUKWMW-LBPRGKRZSA-N 2 1 286.341 3.266 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183351 626326913 /nfs/dbraw/zinc/32/69/13/626326913.db2.gz WVUDOAZXQBARLU-CABCVRRESA-N 2 1 278.415 3.078 20 0 CGADMP Cc1nc(NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000761880689 627070719 /nfs/dbraw/zinc/07/07/19/627070719.db2.gz GBIHPYOJRCRBJB-CYBMUJFWSA-N 2 1 290.455 3.326 20 0 CGADMP Cc1nc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000761880689 627070724 /nfs/dbraw/zinc/07/07/24/627070724.db2.gz GBIHPYOJRCRBJB-CYBMUJFWSA-N 2 1 290.455 3.326 20 0 CGADMP CCCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762649579 627119238 /nfs/dbraw/zinc/11/92/38/627119238.db2.gz OCNVACHSELIPQP-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762649579 627119239 /nfs/dbraw/zinc/11/92/39/627119239.db2.gz OCNVACHSELIPQP-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnc(Cl)c1 ZINC000764661090 627216721 /nfs/dbraw/zinc/21/67/21/627216721.db2.gz BNKDVLDBUUTDCH-ZDUSSCGKSA-N 2 1 281.831 3.262 20 0 CGADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3cc(OC)ccc32)C[C@@H]1C ZINC000765640853 627264879 /nfs/dbraw/zinc/26/48/79/627264879.db2.gz HPERGHUKTSLCKA-KBPBESRZSA-N 2 1 299.418 3.162 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000766213384 627303545 /nfs/dbraw/zinc/30/35/45/627303545.db2.gz GFVYHLJSRGBVFF-DJIMGWMZSA-N 2 1 294.483 3.044 20 0 CGADMP CCCCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C1(C)C ZINC000766452806 627333140 /nfs/dbraw/zinc/33/31/40/627333140.db2.gz XYTUMWMFPAASLR-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)Cc2ccccc21 ZINC000767355790 627401188 /nfs/dbraw/zinc/40/11/88/627401188.db2.gz VHJKHYVMSWJLIJ-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)Cc2ccccc21 ZINC000767355790 627401189 /nfs/dbraw/zinc/40/11/89/627401189.db2.gz VHJKHYVMSWJLIJ-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)Cc2ccccc21 ZINC000767355790 627401191 /nfs/dbraw/zinc/40/11/91/627401191.db2.gz VHJKHYVMSWJLIJ-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C1CC2(CCC2)C1)[NH+](C)C ZINC000772867246 627829583 /nfs/dbraw/zinc/82/95/83/627829583.db2.gz IBQKGVZKRIEHFU-OAHLLOKOSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccoc1 ZINC000775360158 628086129 /nfs/dbraw/zinc/08/61/29/628086129.db2.gz AKHMQZFLKWXBPL-UHFFFAOYSA-N 2 1 264.413 3.414 20 0 CGADMP CC[C@@](C)([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000775386334 628088178 /nfs/dbraw/zinc/08/81/78/628088178.db2.gz DADMYWFYTWQQKH-QGZVFWFLSA-N 2 1 271.408 3.497 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775622218 628114928 /nfs/dbraw/zinc/11/49/28/628114928.db2.gz RRPBTIVFFIOGFF-ZDUSSCGKSA-N 2 1 282.391 3.414 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000810245114 628245549 /nfs/dbraw/zinc/24/55/49/628245549.db2.gz RTFHZESGMWSAMN-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000810245114 628245551 /nfs/dbraw/zinc/24/55/51/628245551.db2.gz RTFHZESGMWSAMN-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC000777595828 628287735 /nfs/dbraw/zinc/28/77/35/628287735.db2.gz UCNRQLCVCYSTFH-SFHVURJKSA-N 2 1 290.426 3.320 20 0 CGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC000777595828 628287739 /nfs/dbraw/zinc/28/77/39/628287739.db2.gz UCNRQLCVCYSTFH-SFHVURJKSA-N 2 1 290.426 3.320 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC000777595828 628287744 /nfs/dbraw/zinc/28/77/44/628287744.db2.gz UCNRQLCVCYSTFH-SFHVURJKSA-N 2 1 290.426 3.320 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777595828 628287749 /nfs/dbraw/zinc/28/77/49/628287749.db2.gz UCNRQLCVCYSTFH-SFHVURJKSA-N 2 1 290.426 3.320 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777595828 628287754 /nfs/dbraw/zinc/28/77/54/628287754.db2.gz UCNRQLCVCYSTFH-SFHVURJKSA-N 2 1 290.426 3.320 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299378 628480567 /nfs/dbraw/zinc/48/05/67/628480567.db2.gz RVWVTTWEZHDNMA-ZHALLVOQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299378 628480568 /nfs/dbraw/zinc/48/05/68/628480568.db2.gz RVWVTTWEZHDNMA-ZHALLVOQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299378 628480569 /nfs/dbraw/zinc/48/05/69/628480569.db2.gz RVWVTTWEZHDNMA-ZHALLVOQSA-N 2 1 284.447 3.133 20 0 CGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(CC)CC ZINC000782182669 628620883 /nfs/dbraw/zinc/62/08/83/628620883.db2.gz DWCSFFUKIFAFSG-SJORKVTESA-N 2 1 296.499 3.244 20 0 CGADMP CCCCO[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000782183294 628621319 /nfs/dbraw/zinc/62/13/19/628621319.db2.gz JZJCAUBKLGDDMF-IRXDYDNUSA-N 2 1 296.499 3.244 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000783220812 628689066 /nfs/dbraw/zinc/68/90/66/628689066.db2.gz BNZYBPBVFJIPDW-WMLDXEAASA-N 2 1 260.425 3.415 20 0 CGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000788482904 629058140 /nfs/dbraw/zinc/05/81/40/629058140.db2.gz YYQBYWAIGILVJB-DLBZAZTESA-N 2 1 296.499 3.244 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000863544082 629603281 /nfs/dbraw/zinc/60/32/81/629603281.db2.gz KLQDCXJWQQRIBV-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000863544082 629603285 /nfs/dbraw/zinc/60/32/85/629603285.db2.gz KLQDCXJWQQRIBV-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)C12CCC2 ZINC000864055515 629751311 /nfs/dbraw/zinc/75/13/11/629751311.db2.gz RLLIPLGBCNPMDR-VHSXEESVSA-N 2 1 290.354 3.126 20 0 CGADMP FC(F)(F)c1c[nH+]ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000865526939 630170043 /nfs/dbraw/zinc/17/00/43/630170043.db2.gz ZAXZXDYNIHNBMQ-LBPRGKRZSA-N 2 1 299.340 3.165 20 0 CGADMP CC(C)C(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000808728736 630671636 /nfs/dbraw/zinc/67/16/36/630671636.db2.gz UUNFGNURCYMHGB-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000808728736 630671639 /nfs/dbraw/zinc/67/16/39/630671639.db2.gz UUNFGNURCYMHGB-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000808728736 630671641 /nfs/dbraw/zinc/67/16/41/630671641.db2.gz UUNFGNURCYMHGB-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000808728736 630671644 /nfs/dbraw/zinc/67/16/44/630671644.db2.gz UUNFGNURCYMHGB-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000815578750 631798970 /nfs/dbraw/zinc/79/89/70/631798970.db2.gz VMYLHBMIFXIYDM-ZIAGYGMSSA-N 2 1 264.388 3.127 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000817894890 632230883 /nfs/dbraw/zinc/23/08/83/632230883.db2.gz RWOJVWGWWJJMQM-HBNTYKKESA-N 2 1 263.410 3.073 20 0 CGADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817912399 632234130 /nfs/dbraw/zinc/23/41/30/632234130.db2.gz AHOGPIZRZMGUNR-QZTJIDSGSA-N 2 1 295.515 3.282 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000817979894 632269910 /nfs/dbraw/zinc/26/99/10/632269910.db2.gz PZKXCHVIFLGAQK-JQWIXIFHSA-N 2 1 270.804 3.045 20 0 CGADMP CCCCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000817982637 632272442 /nfs/dbraw/zinc/27/24/42/632272442.db2.gz UVWVDFJWSFHUMR-QZTJIDSGSA-N 2 1 290.451 3.276 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820811389 632680702 /nfs/dbraw/zinc/68/07/02/632680702.db2.gz PONTVGLPVVZKGF-CCEMPMEWSA-N 2 1 289.423 3.100 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820811389 632680706 /nfs/dbraw/zinc/68/07/06/632680706.db2.gz PONTVGLPVVZKGF-CCEMPMEWSA-N 2 1 289.423 3.100 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(F)cc2cccnc21 ZINC000844221150 635833942 /nfs/dbraw/zinc/83/39/42/635833942.db2.gz IMUSCZKVCHTRAX-ALOPSCKCSA-N 2 1 299.393 3.218 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(F)cc2cccnc21 ZINC000844221150 635833944 /nfs/dbraw/zinc/83/39/44/635833944.db2.gz IMUSCZKVCHTRAX-ALOPSCKCSA-N 2 1 299.393 3.218 20 0 CGADMP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865829601 632903975 /nfs/dbraw/zinc/90/39/75/632903975.db2.gz CWHZHMSTOWYKLX-REWJHTLYSA-N 2 1 288.357 3.100 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2cc(F)ccc2CC[C@@H]1C ZINC000866251308 633045948 /nfs/dbraw/zinc/04/59/48/633045948.db2.gz RPTVGONGQYAFEP-YVEFUNNKSA-N 2 1 287.382 3.244 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(F)cccc32)C1 ZINC000866262845 633050219 /nfs/dbraw/zinc/05/02/19/633050219.db2.gz HKAJPKLJSQTWPX-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000866316500 633079905 /nfs/dbraw/zinc/07/99/05/633079905.db2.gz ZQICNRSZOLBLNO-ACJLOTCBSA-N 2 1 288.410 3.301 20 0 CGADMP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000866316503 633080082 /nfs/dbraw/zinc/08/00/82/633080082.db2.gz ZQICNRSZOLBLNO-UGSOOPFHSA-N 2 1 288.410 3.301 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000866372173 633108271 /nfs/dbraw/zinc/10/82/71/633108271.db2.gz DVOKIKNENDGOBJ-SJORKVTESA-N 2 1 274.452 3.248 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000866396642 633122562 /nfs/dbraw/zinc/12/25/62/633122562.db2.gz AUPNJYJGOBGWQG-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866584096 633203674 /nfs/dbraw/zinc/20/36/74/633203674.db2.gz MJZIHPFGDQNRDL-KBAYOESNSA-N 2 1 272.436 3.034 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584096 633203676 /nfs/dbraw/zinc/20/36/76/633203676.db2.gz MJZIHPFGDQNRDL-KBAYOESNSA-N 2 1 272.436 3.034 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584096 633203680 /nfs/dbraw/zinc/20/36/80/633203680.db2.gz MJZIHPFGDQNRDL-KBAYOESNSA-N 2 1 272.436 3.034 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1F ZINC000824332371 633231833 /nfs/dbraw/zinc/23/18/33/633231833.db2.gz JICVMABKIGNGCV-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP COCc1cccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866708970 633235576 /nfs/dbraw/zinc/23/55/76/633235576.db2.gz UCVSHQHKHSECSO-SFHVURJKSA-N 2 1 290.451 3.030 20 0 CGADMP C[C@]1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(Cl)Cl ZINC000824968169 633312034 /nfs/dbraw/zinc/31/20/34/633312034.db2.gz AYAHXBLFRFFKML-UPJWGTAASA-N 2 1 291.266 3.177 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H]1CCCOC1 ZINC000872018976 633939331 /nfs/dbraw/zinc/93/93/31/633939331.db2.gz QYLWOOUNEXAKIO-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H]1CCCOC1 ZINC000872018973 633940110 /nfs/dbraw/zinc/94/01/10/633940110.db2.gz QYLWOOUNEXAKIO-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)CC ZINC000872022430 633943478 /nfs/dbraw/zinc/94/34/78/633943478.db2.gz WOUYTXYZAYVJPD-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000872026774 633946021 /nfs/dbraw/zinc/94/60/21/633946021.db2.gz FSDZVVVMHLKJSC-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000872026774 633946029 /nfs/dbraw/zinc/94/60/29/633946029.db2.gz FSDZVVVMHLKJSC-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)CC ZINC000872036366 633955592 /nfs/dbraw/zinc/95/55/92/633955592.db2.gz UPCBVYKFQZYKPT-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872037468 633956611 /nfs/dbraw/zinc/95/66/11/633956611.db2.gz BVZQALFCMKHMQF-TUAOUCFPSA-N 2 1 266.351 3.180 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872037468 633956615 /nfs/dbraw/zinc/95/66/15/633956615.db2.gz BVZQALFCMKHMQF-TUAOUCFPSA-N 2 1 266.351 3.180 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872082279 634006614 /nfs/dbraw/zinc/00/66/14/634006614.db2.gz TXXDHGFFAPUDNX-HOTGVXAUSA-N 2 1 284.488 3.148 20 0 CGADMP COCCCCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156295 634066054 /nfs/dbraw/zinc/06/60/54/634066054.db2.gz HMIMOSQNFIZBBL-FUHWJXTLSA-N 2 1 296.499 3.423 20 0 CGADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)O1 ZINC000872158412 634069767 /nfs/dbraw/zinc/06/97/67/634069767.db2.gz UWYPIBIBGLOLQL-ATLSCFEFSA-N 2 1 294.483 3.174 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872469516 634152260 /nfs/dbraw/zinc/15/22/60/634152260.db2.gz WFBAZEZEWUVPNX-CQSZACIVSA-N 2 1 273.424 3.127 20 0 CGADMP c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872488688 634155452 /nfs/dbraw/zinc/15/54/52/634155452.db2.gz KVFZTEHKTKAXJY-YJBOKZPZSA-N 2 1 297.446 3.412 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909007 634284128 /nfs/dbraw/zinc/28/41/28/634284128.db2.gz ICXPGFLMTZHXDH-LBPRGKRZSA-N 2 1 279.428 3.070 20 0 CGADMP C[C@H]1CC2(CCC2)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210594 634286289 /nfs/dbraw/zinc/28/62/89/634286289.db2.gz LHTDIFIEWBHQQB-LBPRGKRZSA-N 2 1 276.449 3.158 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000873229366 634291831 /nfs/dbraw/zinc/29/18/31/634291831.db2.gz VFSBYPQSLHBSEW-INDMIFKZSA-N 2 1 284.447 3.038 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873238416 634296315 /nfs/dbraw/zinc/29/63/15/634296315.db2.gz ZSQTZIYBKIIZCA-QWRGUYRKSA-N 2 1 266.351 3.085 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000835061010 634342031 /nfs/dbraw/zinc/34/20/31/634342031.db2.gz FKWMQSOFYBCXQO-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP Cc1cc(C)cc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000877516891 635066829 /nfs/dbraw/zinc/06/68/29/635066829.db2.gz FYZXDLZWAGDVCN-DFNIBXOVSA-N 2 1 286.463 3.403 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000877516891 635066834 /nfs/dbraw/zinc/06/68/34/635066834.db2.gz FYZXDLZWAGDVCN-DFNIBXOVSA-N 2 1 286.463 3.403 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000877516891 635066838 /nfs/dbraw/zinc/06/68/38/635066838.db2.gz FYZXDLZWAGDVCN-DFNIBXOVSA-N 2 1 286.463 3.403 20 0 CGADMP CC(C)c1cnc(C[NH2+]Cc2ccc(CC[NH3+])cc2)s1 ZINC000841032357 635110182 /nfs/dbraw/zinc/11/01/82/635110182.db2.gz SDWPBUBUZQULTL-UHFFFAOYSA-N 2 1 289.448 3.058 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc2cccnc12 ZINC000877743737 635178590 /nfs/dbraw/zinc/17/85/90/635178590.db2.gz YDRGFTQJFUMCII-MSOLQXFVSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc2cccnc12 ZINC000877743737 635178596 /nfs/dbraw/zinc/17/85/96/635178596.db2.gz YDRGFTQJFUMCII-MSOLQXFVSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc2cccnc12 ZINC000877743737 635178601 /nfs/dbraw/zinc/17/86/01/635178601.db2.gz YDRGFTQJFUMCII-MSOLQXFVSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc2cccnc12 ZINC000877743737 635178606 /nfs/dbraw/zinc/17/86/06/635178606.db2.gz YDRGFTQJFUMCII-MSOLQXFVSA-N 2 1 295.430 3.069 20 0 CGADMP CO[C@@](C)(C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)C1CC1 ZINC000877767361 635193385 /nfs/dbraw/zinc/19/33/85/635193385.db2.gz GBXCTPUZAKRDTP-SFHVURJKSA-N 2 1 296.499 3.101 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCC3(CCC3)O1)CC2 ZINC000930173667 635353532 /nfs/dbraw/zinc/35/35/32/635353532.db2.gz KLJCZMHVWQLGAX-MRXNPFEDSA-N 2 1 292.467 3.038 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCC3(CCC3)O1)CC2 ZINC000930173667 635353543 /nfs/dbraw/zinc/35/35/43/635353543.db2.gz KLJCZMHVWQLGAX-MRXNPFEDSA-N 2 1 292.467 3.038 20 0 CGADMP C(CC1CC1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878120396 635366933 /nfs/dbraw/zinc/36/69/33/635366933.db2.gz HMFYHKSUYBRRSV-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878123762 635368659 /nfs/dbraw/zinc/36/86/59/635368659.db2.gz FGLPXKYZOGOYPV-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471967 635375387 /nfs/dbraw/zinc/37/53/87/635375387.db2.gz JOXVQPIGJOPSIA-AWEZNQCLSA-N 2 1 264.413 3.294 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000842471960 635375689 /nfs/dbraw/zinc/37/56/89/635375689.db2.gz JDMUEHVSDGUBDD-QGZVFWFLSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000842471960 635375694 /nfs/dbraw/zinc/37/56/94/635375694.db2.gz JDMUEHVSDGUBDD-QGZVFWFLSA-N 2 1 294.414 3.108 20 0 CGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])C1(C)C ZINC000842473505 635377603 /nfs/dbraw/zinc/37/76/03/635377603.db2.gz WREPZUCJINHLRH-CABCVRRESA-N 2 1 270.461 3.031 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000842473503 635378552 /nfs/dbraw/zinc/37/85/52/635378552.db2.gz WQCSJAPYZQFEKT-HUUCEWRRSA-N 2 1 270.486 3.256 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2ncccc2c1 ZINC000843054266 635551529 /nfs/dbraw/zinc/55/15/29/635551529.db2.gz TXUYGOXWWILRAP-ALOPSCKCSA-N 2 1 281.403 3.079 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCSC(C)(C)C)C2 ZINC000878661351 635595302 /nfs/dbraw/zinc/59/53/02/635595302.db2.gz BNXWOCYHLLOUDF-MRXNPFEDSA-N 2 1 284.513 3.326 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCSC(C)(C)C)C2 ZINC000878661351 635595306 /nfs/dbraw/zinc/59/53/06/635595306.db2.gz BNXWOCYHLLOUDF-MRXNPFEDSA-N 2 1 284.513 3.326 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCSC(C)(C)C)C2 ZINC000878661351 635595313 /nfs/dbraw/zinc/59/53/13/635595313.db2.gz BNXWOCYHLLOUDF-MRXNPFEDSA-N 2 1 284.513 3.326 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCSc1ccccc1 ZINC000843361022 635653740 /nfs/dbraw/zinc/65/37/40/635653740.db2.gz QQUWPMNZRMWRNS-GOOCMWNKSA-N 2 1 276.449 3.123 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(CO)CCCCCCC1 ZINC000879496696 635798511 /nfs/dbraw/zinc/79/85/11/635798511.db2.gz JILPVWLLOYCDKH-UHFFFAOYSA-N 2 1 293.455 3.037 20 0 CGADMP C[N@@H+](Cc1csc(-c2ccoc2)n1)C1CCC([NH3+])CC1 ZINC000844221090 635832964 /nfs/dbraw/zinc/83/29/64/635832964.db2.gz UFGNNXVHSHUARE-UHFFFAOYSA-N 2 1 291.420 3.105 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442770 635903279 /nfs/dbraw/zinc/90/32/79/635903279.db2.gz ZSAXHXKQPQDDDZ-CQSZACIVSA-N 2 1 283.366 3.093 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442770 635903282 /nfs/dbraw/zinc/90/32/82/635903282.db2.gz ZSAXHXKQPQDDDZ-CQSZACIVSA-N 2 1 283.366 3.093 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442770 635903284 /nfs/dbraw/zinc/90/32/84/635903284.db2.gz ZSAXHXKQPQDDDZ-CQSZACIVSA-N 2 1 283.366 3.093 20 0 CGADMP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000846106453 636143861 /nfs/dbraw/zinc/14/38/61/636143861.db2.gz ZDJAVSSYMVXOGG-YNEHKIRRSA-N 2 1 291.266 3.177 20 0 CGADMP CCc1noc(C)c1[C@@H](C)NCCC[N@@H+](C)CC(C)C ZINC000846176005 636154134 /nfs/dbraw/zinc/15/41/34/636154134.db2.gz BKBOWEUSAIBBAZ-CYBMUJFWSA-N 2 1 281.444 3.174 20 0 CGADMP C[N@@H+](Cc1coc2ccccc12)C1CCC([NH3+])CC1 ZINC000131045391 636548542 /nfs/dbraw/zinc/54/85/42/636548542.db2.gz LKNLDFCCCMVFIA-UHFFFAOYSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000883140324 636553750 /nfs/dbraw/zinc/55/37/50/636553750.db2.gz QDBNVVGQAJZOLA-QDMKHBRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000849073516 636738861 /nfs/dbraw/zinc/73/88/61/636738861.db2.gz ZGVJILKMXACQRB-GJZGRUSLSA-N 2 1 284.492 3.045 20 0 CGADMP Cc1cscc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132182519 636790264 /nfs/dbraw/zinc/79/02/64/636790264.db2.gz DXXQUHYNYXUZKV-GJZGRUSLSA-N 2 1 258.390 3.291 20 0 CGADMP Fc1cccc(/C=C/C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000885924083 637314286 /nfs/dbraw/zinc/31/42/86/637314286.db2.gz GVGNYVFUICBTAC-TZNLOLHFSA-N 2 1 274.383 3.055 20 0 CGADMP Fc1cccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000885924083 637314298 /nfs/dbraw/zinc/31/42/98/637314298.db2.gz GVGNYVFUICBTAC-TZNLOLHFSA-N 2 1 274.383 3.055 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C/c1cccc(F)c1 ZINC000885968836 637336013 /nfs/dbraw/zinc/33/60/13/637336013.db2.gz AZRQKMAAQNAEHQ-YVARQFDVSA-N 2 1 287.382 3.270 20 0 CGADMP Cc1coc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000886059315 637393444 /nfs/dbraw/zinc/39/34/44/637393444.db2.gz AEJBTJHWYFRWRH-GJZGRUSLSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1coc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000886059315 637393452 /nfs/dbraw/zinc/39/34/52/637393452.db2.gz AEJBTJHWYFRWRH-GJZGRUSLSA-N 2 1 276.424 3.331 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886503957 637546039 /nfs/dbraw/zinc/54/60/39/637546039.db2.gz MCOPHLGHGYULKE-NVXWUHKLSA-N 2 1 287.451 3.171 20 0 CGADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000886540860 637565543 /nfs/dbraw/zinc/56/55/43/637565543.db2.gz LXKOOVVPVFGOIB-CRAIPNDOSA-N 2 1 283.419 3.436 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000886540860 637565549 /nfs/dbraw/zinc/56/55/49/637565549.db2.gz LXKOOVVPVFGOIB-CRAIPNDOSA-N 2 1 283.419 3.436 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)c3ccncc3)CC2)[nH+]c1C ZINC000886666175 637640492 /nfs/dbraw/zinc/64/04/92/637640492.db2.gz OBDBSWIFIAKLGL-CQSZACIVSA-N 2 1 284.407 3.362 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3cccnc3)CC2)[nH+]c1C ZINC000886666669 637642048 /nfs/dbraw/zinc/64/20/48/637642048.db2.gz XSSFBFKMAOIBET-AWEZNQCLSA-N 2 1 284.407 3.362 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000852716049 637699335 /nfs/dbraw/zinc/69/93/35/637699335.db2.gz GTCBBBQPQAJVJR-LLVKDONJSA-N 2 1 281.271 3.280 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000852716049 637699338 /nfs/dbraw/zinc/69/93/38/637699338.db2.gz GTCBBBQPQAJVJR-LLVKDONJSA-N 2 1 281.271 3.280 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000852744169 637702912 /nfs/dbraw/zinc/70/29/12/637702912.db2.gz UOKDTZUGVGSBCC-JFIYKMOQSA-N 2 1 272.436 3.241 20 0 CGADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852748712 637704623 /nfs/dbraw/zinc/70/46/23/637704623.db2.gz ZIGHAOZJRYRCPH-PKOBYXMFSA-N 2 1 284.447 3.182 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)C2)cc1 ZINC000852750796 637706062 /nfs/dbraw/zinc/70/60/62/637706062.db2.gz GQFCWRIAZNFYSG-QRQLOZEOSA-N 2 1 284.447 3.398 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000224108769 637905818 /nfs/dbraw/zinc/90/58/18/637905818.db2.gz BVFGGNHATYMYNR-XKQJLSEDSA-N 2 1 288.435 3.145 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000224108769 637905821 /nfs/dbraw/zinc/90/58/21/637905821.db2.gz BVFGGNHATYMYNR-XKQJLSEDSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(C2CCC2)c1 ZINC000924577182 638366275 /nfs/dbraw/zinc/36/62/75/638366275.db2.gz DODDPCXGSSPKKW-HNNXBMFYSA-N 2 1 290.455 3.135 20 0 CGADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000924576312 638366370 /nfs/dbraw/zinc/36/63/70/638366370.db2.gz PSWPFCIUYPJWKK-LBPRGKRZSA-N 2 1 272.392 3.486 20 0 CGADMP C[C@H]1CC2(CC([NH2+]C[C@]3([NH+](C)C)CCC[C@@H](C)C3)C2)CO1 ZINC000924737382 638397171 /nfs/dbraw/zinc/39/71/71/638397171.db2.gz GTQXHQRAWZABBX-VGAKTEPXSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924958280 638431162 /nfs/dbraw/zinc/43/11/62/638431162.db2.gz DSRKXWZPVKDMOJ-HJOIGYKYSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000925137673 638459063 /nfs/dbraw/zinc/45/90/63/638459063.db2.gz ACSUVFDUYIPRTR-NUEKZKHPSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000925137673 638459064 /nfs/dbraw/zinc/45/90/64/638459064.db2.gz ACSUVFDUYIPRTR-NUEKZKHPSA-N 2 1 258.409 3.055 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000925143981 638460210 /nfs/dbraw/zinc/46/02/10/638460210.db2.gz RWRLQTMWXFUVFV-KCQAQPDRSA-N 2 1 271.408 3.301 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000925143981 638460214 /nfs/dbraw/zinc/46/02/14/638460214.db2.gz RWRLQTMWXFUVFV-KCQAQPDRSA-N 2 1 271.408 3.301 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1cccs1 ZINC000925499566 638512032 /nfs/dbraw/zinc/51/20/32/638512032.db2.gz QYTOFQVPLRJOBS-CYBMUJFWSA-N 2 1 278.465 3.290 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Sc1ccccc1 ZINC000925523728 638519069 /nfs/dbraw/zinc/51/90/69/638519069.db2.gz NZGFETJQZDKQAB-DZGCQCFKSA-N 2 1 276.449 3.041 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000925630129 638548673 /nfs/dbraw/zinc/54/86/73/638548673.db2.gz RKGUCTGDUGWZMV-HPBDAGMYSA-N 2 1 290.451 3.258 20 0 CGADMP C[C@H]([NH3+])[C@@H](NCCC[C@@H]1CCCCO1)c1ccccc1 ZINC000925638445 638552890 /nfs/dbraw/zinc/55/28/90/638552890.db2.gz BWTFGLVWWAAGKG-BHYGNILZSA-N 2 1 276.424 3.014 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccccc1 ZINC000925638445 638552894 /nfs/dbraw/zinc/55/28/94/638552894.db2.gz BWTFGLVWWAAGKG-BHYGNILZSA-N 2 1 276.424 3.014 20 0 CGADMP Cc1cccc(CCC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])n1 ZINC000925663991 638562234 /nfs/dbraw/zinc/56/22/34/638562234.db2.gz BKOXWHCHYUGNEB-QAPCUYQASA-N 2 1 283.419 3.001 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@@H]2C)c2ccccc2O1 ZINC000925680761 638567279 /nfs/dbraw/zinc/56/72/79/638567279.db2.gz TXWJCKWFIWRKTD-ZFCIPKFXSA-N 2 1 286.419 3.017 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1coc2ccccc21 ZINC000925708731 638575117 /nfs/dbraw/zinc/57/51/17/638575117.db2.gz SJOAKMXARQZVGQ-CYBMUJFWSA-N 2 1 270.376 3.345 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857847819 638576814 /nfs/dbraw/zinc/57/68/14/638576814.db2.gz ZCDJXPBWXQFIMY-HOCLYGCPSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847819 638576820 /nfs/dbraw/zinc/57/68/20/638576820.db2.gz ZCDJXPBWXQFIMY-HOCLYGCPSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847819 638576824 /nfs/dbraw/zinc/57/68/24/638576824.db2.gz ZCDJXPBWXQFIMY-HOCLYGCPSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCCC12CC2)c1ccccc1 ZINC000925719883 638578714 /nfs/dbraw/zinc/57/87/14/638578714.db2.gz VVBVNCRSJXJEGZ-IMJJTQAJSA-N 2 1 258.409 3.245 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000925780063 638611010 /nfs/dbraw/zinc/61/10/10/638611010.db2.gz RKKOYYSWAPFAGP-GXTWGEPZSA-N 2 1 286.341 3.111 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc2ccccc2[nH]1 ZINC000925805420 638617771 /nfs/dbraw/zinc/61/77/71/638617771.db2.gz IKRJEUUJDNCVAQ-JSGCOSHPSA-N 2 1 280.375 3.030 20 0 CGADMP CC(C)C(C(C)C)[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814630 638621261 /nfs/dbraw/zinc/62/12/61/638621261.db2.gz NQCBRBUNMONXPQ-KGLIPLIRSA-N 2 1 263.429 3.104 20 0 CGADMP C1=CCC(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000925829898 638626129 /nfs/dbraw/zinc/62/61/29/638626129.db2.gz AZDCPXKLBBAZEW-QZTJIDSGSA-N 2 1 270.420 3.426 20 0 CGADMP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858131527 638638610 /nfs/dbraw/zinc/63/86/10/638638610.db2.gz XXAJYLXKDFSUNR-MRXNPFEDSA-N 2 1 289.467 3.105 20 0 CGADMP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858131527 638638623 /nfs/dbraw/zinc/63/86/23/638638623.db2.gz XXAJYLXKDFSUNR-MRXNPFEDSA-N 2 1 289.467 3.105 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@H]2CC=CCC2)s1 ZINC000858272215 638669647 /nfs/dbraw/zinc/66/96/47/638669647.db2.gz RAQOMKZTPDEIAJ-ZDUSSCGKSA-N 2 1 279.453 3.041 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC=CCC2)[C@@H](C)C1 ZINC000927122547 638845321 /nfs/dbraw/zinc/84/53/21/638845321.db2.gz JEFINDCTFULFLL-HOCLYGCPSA-N 2 1 250.430 3.053 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780142 638950740 /nfs/dbraw/zinc/95/07/40/638950740.db2.gz LCGXGIKBCCPBTB-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780142 638950742 /nfs/dbraw/zinc/95/07/42/638950742.db2.gz LCGXGIKBCCPBTB-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780142 638950743 /nfs/dbraw/zinc/95/07/43/638950743.db2.gz LCGXGIKBCCPBTB-WMLDXEAASA-N 2 1 278.415 3.173 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H]2C=CCCC2)cc1 ZINC000859214841 639110543 /nfs/dbraw/zinc/11/05/43/639110543.db2.gz PHJMOTXXIYQVHP-QGZVFWFLSA-N 2 1 258.409 3.289 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC000931435862 639148929 /nfs/dbraw/zinc/14/89/29/639148929.db2.gz DYHHWYGZDVQHBQ-CABCVRRESA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC000931435862 639148932 /nfs/dbraw/zinc/14/89/32/639148932.db2.gz DYHHWYGZDVQHBQ-CABCVRRESA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC000931435862 639148933 /nfs/dbraw/zinc/14/89/33/639148933.db2.gz DYHHWYGZDVQHBQ-CABCVRRESA-N 2 1 280.362 3.008 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000859564454 639163893 /nfs/dbraw/zinc/16/38/93/639163893.db2.gz DUMHFVYUMBMZKX-KBXCAEBGSA-N 2 1 298.434 3.354 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000932563580 639354898 /nfs/dbraw/zinc/35/48/98/639354898.db2.gz IBSLOSUGZRHOQR-DZGCQCFKSA-N 2 1 264.388 3.269 20 0 CGADMP c1csc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835713 640156697 /nfs/dbraw/zinc/15/66/97/640156697.db2.gz FSLLYXZOOWUNHG-HNNXBMFYSA-N 2 1 278.465 3.098 20 0 CGADMP C[C@H](CC[NH2+]C[C@@H]1CCC=CO1)[N@@H+](C)Cc1ccccc1 ZINC000194497253 640535571 /nfs/dbraw/zinc/53/55/71/640535571.db2.gz BNDHXASSAFWUSY-AEFFLSMTSA-N 2 1 288.435 3.179 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)oc2C)C1 ZINC000093742306 640781509 /nfs/dbraw/zinc/78/15/09/640781509.db2.gz WHCQIDSADZTSKV-OAHLLOKOSA-N 2 1 264.413 3.060 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)oc2C)C1 ZINC000093742306 640781514 /nfs/dbraw/zinc/78/15/14/640781514.db2.gz WHCQIDSADZTSKV-OAHLLOKOSA-N 2 1 264.413 3.060 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)oc2C)C1 ZINC000093742306 640781517 /nfs/dbraw/zinc/78/15/17/640781517.db2.gz WHCQIDSADZTSKV-OAHLLOKOSA-N 2 1 264.413 3.060 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)oc2C)C1 ZINC000093742306 640781522 /nfs/dbraw/zinc/78/15/22/640781522.db2.gz WHCQIDSADZTSKV-OAHLLOKOSA-N 2 1 264.413 3.060 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000251487370 640827012 /nfs/dbraw/zinc/82/70/12/640827012.db2.gz BYGSOUFHPVBSNY-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H]1CCC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000251694372 640830877 /nfs/dbraw/zinc/83/08/77/640830877.db2.gz HIIVZAABWVXPSV-ZSNVMCELSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252787400 640863493 /nfs/dbraw/zinc/86/34/93/640863493.db2.gz WJKFOJDDSSXOSK-CORIIIEPSA-N 2 1 266.816 3.460 20 0 CGADMP COc1cc[nH+]c(Nc2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001159131768 806047314 /nfs/dbraw/zinc/04/73/14/806047314.db2.gz XQBQZGJBRUGPDI-UHFFFAOYSA-N 2 1 283.375 3.301 20 0 CGADMP c1ccc2c(Nc3ccc4c(c3)C[NH2+]CC4)cc[nH+]c2c1 ZINC001159609876 806132373 /nfs/dbraw/zinc/13/23/73/806132373.db2.gz VWXTVDGQGCILAM-UHFFFAOYSA-N 2 1 275.355 3.046 20 0 CGADMP Cc1cc[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)c1 ZINC001161228910 806360321 /nfs/dbraw/zinc/36/03/21/806360321.db2.gz DFFRDSVXPBALNV-UHFFFAOYSA-N 2 1 273.424 3.314 20 0 CGADMP Cc1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)nc1C ZINC001161187077 806356568 /nfs/dbraw/zinc/35/65/68/806356568.db2.gz XYCMZVSUTNONME-INIZCTEOSA-N 2 1 273.424 3.375 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC001254501814 806423060 /nfs/dbraw/zinc/42/30/60/806423060.db2.gz YLMJXEJXLSFYLZ-GOSISDBHSA-N 2 1 268.404 3.414 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC001254500991 806420524 /nfs/dbraw/zinc/42/05/24/806420524.db2.gz NSBTXLZOLNVQJP-RBUKOAKNSA-N 2 1 295.430 3.245 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC001254500991 806420528 /nfs/dbraw/zinc/42/05/28/806420528.db2.gz NSBTXLZOLNVQJP-RBUKOAKNSA-N 2 1 295.430 3.245 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254499408 806421114 /nfs/dbraw/zinc/42/11/14/806421114.db2.gz FVDAETRAHLJJNF-MRXNPFEDSA-N 2 1 276.424 3.048 20 0 CGADMP C[N@H+]1CCC[C@H](n2cc(C[NH3+])c3cc(Cl)ccc32)CC1 ZINC001254505994 806425932 /nfs/dbraw/zinc/42/59/32/806425932.db2.gz NDFSGEKXOCXTDN-AWEZNQCLSA-N 2 1 291.826 3.410 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccn1 ZINC001254508618 806426993 /nfs/dbraw/zinc/42/69/93/806426993.db2.gz KLDKZYBCVSDROH-NVXWUHKLSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccn1 ZINC001254508618 806427001 /nfs/dbraw/zinc/42/70/01/806427001.db2.gz KLDKZYBCVSDROH-NVXWUHKLSA-N 2 1 275.440 3.243 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507335 806427865 /nfs/dbraw/zinc/42/78/65/806427865.db2.gz AUXFWXVFFMKHRP-XJKSGUPXSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507335 806427870 /nfs/dbraw/zinc/42/78/70/806427870.db2.gz AUXFWXVFFMKHRP-XJKSGUPXSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC1 ZINC001254507161 806428190 /nfs/dbraw/zinc/42/81/90/806428190.db2.gz IEZXOMQGFSSNTC-RHSMWYFYSA-N 2 1 276.399 3.351 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC1 ZINC001254507161 806428192 /nfs/dbraw/zinc/42/81/92/806428192.db2.gz IEZXOMQGFSSNTC-RHSMWYFYSA-N 2 1 276.399 3.351 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)Cc2ccccc2F)CC1 ZINC001254511555 806430305 /nfs/dbraw/zinc/43/03/05/806430305.db2.gz BRVOSFFCOOADFV-MRXNPFEDSA-N 2 1 292.442 3.468 20 0 CGADMP COc1ccc(C2([NH2+][C@@H]3CCC[N@@H+](C)CC3)CCC2)cc1 ZINC001254510974 806430431 /nfs/dbraw/zinc/43/04/31/806430431.db2.gz SLNSYFRBJHMTND-MRXNPFEDSA-N 2 1 288.435 3.148 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001254513565 806435033 /nfs/dbraw/zinc/43/50/33/806435033.db2.gz ZXXLQKVVROPOBT-GDBMZVCRSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001254513565 806435038 /nfs/dbraw/zinc/43/50/38/806435038.db2.gz ZXXLQKVVROPOBT-GDBMZVCRSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(c3cccs3)CC2)CC1 ZINC001254523521 806439810 /nfs/dbraw/zinc/43/98/10/806439810.db2.gz OUEYEFSTOWHJCW-HNNXBMFYSA-N 2 1 278.465 3.412 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254526218 806441870 /nfs/dbraw/zinc/44/18/70/806441870.db2.gz PXUUXFIZDDMQNU-KRWDZBQOSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254526218 806441875 /nfs/dbraw/zinc/44/18/75/806441875.db2.gz PXUUXFIZDDMQNU-KRWDZBQOSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254526218 806441879 /nfs/dbraw/zinc/44/18/79/806441879.db2.gz PXUUXFIZDDMQNU-KRWDZBQOSA-N 2 1 260.425 3.165 20 0 CGADMP C[N@@H+]([C@H]1CCc2ccccc21)[C@@H]1CCC[NH+](C)CC1 ZINC001254531127 806445011 /nfs/dbraw/zinc/44/50/11/806445011.db2.gz DRHCUAJVENVLOF-WBVHZDCISA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+]([C@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531127 806445015 /nfs/dbraw/zinc/44/50/15/806445015.db2.gz DRHCUAJVENVLOF-WBVHZDCISA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+]([C@H]1CCc2ccccc21)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531127 806445020 /nfs/dbraw/zinc/44/50/20/806445020.db2.gz DRHCUAJVENVLOF-WBVHZDCISA-N 2 1 258.409 3.090 20 0 CGADMP F[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255127617 806550493 /nfs/dbraw/zinc/55/04/93/806550493.db2.gz YSUYKGHMQCSIAN-IJTOGUNISA-N 2 1 288.410 3.272 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CCSC2)CC1 ZINC001255280445 806592377 /nfs/dbraw/zinc/59/23/77/806592377.db2.gz YCKKZBUNJMEQQX-QEJZJMRPSA-N 2 1 268.470 3.006 20 0 CGADMP CCCC[C@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001255311487 806605193 /nfs/dbraw/zinc/60/51/93/806605193.db2.gz CPQCAXOHZRRCGC-CBCUQQMYSA-N 2 1 298.471 3.137 20 0 CGADMP C[C@@H]([NH3+])c1ccn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255393562 806632025 /nfs/dbraw/zinc/63/20/25/806632025.db2.gz OVIDAOGQIBUVCL-WBVHZDCISA-N 2 1 298.434 3.130 20 0 CGADMP CSCC[N@@H+](C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410569 806635568 /nfs/dbraw/zinc/63/55/68/806635568.db2.gz ZEWIQWJQUZEOEV-KRWDZBQOSA-N 2 1 292.492 3.336 20 0 CGADMP CSCC[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410569 806635574 /nfs/dbraw/zinc/63/55/74/806635574.db2.gz ZEWIQWJQUZEOEV-KRWDZBQOSA-N 2 1 292.492 3.336 20 0 CGADMP CSCC[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410569 806635577 /nfs/dbraw/zinc/63/55/77/806635577.db2.gz ZEWIQWJQUZEOEV-KRWDZBQOSA-N 2 1 292.492 3.336 20 0 CGADMP Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@@H]1CC[N@H+](C)C1 ZINC001255444047 806640728 /nfs/dbraw/zinc/64/07/28/806640728.db2.gz HHEQXNUXMLFGPX-MRXNPFEDSA-N 2 1 297.446 3.293 20 0 CGADMP C[N@H+]1CCC[C@@H](n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)C1 ZINC001255489539 806651043 /nfs/dbraw/zinc/65/10/43/806651043.db2.gz OWXMOLHGDUNKID-ZBFHGGJFSA-N 2 1 298.434 3.118 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OCC)cc2)CC1 ZINC000037149934 798860401 /nfs/dbraw/zinc/86/04/01/798860401.db2.gz YTTCHKYXEZZKFX-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(OCC)c2)CC1 ZINC000037678940 798873087 /nfs/dbraw/zinc/87/30/87/798873087.db2.gz CDRKCTWFKVUTED-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnc2ccccn21 ZINC001255664217 806699199 /nfs/dbraw/zinc/69/91/99/806699199.db2.gz XPAGHMLMXVJYPZ-WZYMTQMTSA-N 2 1 298.434 3.000 20 0 CGADMP Cc1cccnc1C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255672406 806700929 /nfs/dbraw/zinc/70/09/29/806700929.db2.gz GLKGZLUUMUZIDX-ALOPSCKCSA-N 2 1 299.462 3.027 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001255672378 806701810 /nfs/dbraw/zinc/70/18/10/806701810.db2.gz DOHAROQQLLVYGE-PHSGOXPASA-N 2 1 299.462 3.446 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817629 798946056 /nfs/dbraw/zinc/94/60/56/798946056.db2.gz TYGYDEIORXQADW-BBRMVZONSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@H]1CCCCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680542 806704048 /nfs/dbraw/zinc/70/40/48/806704048.db2.gz ZFHOVKQDOOCRHG-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP C[C@H]1CCCCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680542 806704052 /nfs/dbraw/zinc/70/40/52/806704052.db2.gz ZFHOVKQDOOCRHG-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP C[C@H]1CCCCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680542 806704057 /nfs/dbraw/zinc/70/40/57/806704057.db2.gz ZFHOVKQDOOCRHG-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP C[C@H]1CCCCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680542 806704061 /nfs/dbraw/zinc/70/40/61/806704061.db2.gz ZFHOVKQDOOCRHG-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP C[NH+](C)CCC[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000158488161 799070923 /nfs/dbraw/zinc/07/09/23/799070923.db2.gz CUBPJGLBJQEONK-UHFFFAOYSA-N 2 1 274.380 3.043 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000163384949 799081951 /nfs/dbraw/zinc/08/19/51/799081951.db2.gz VZKFAKSMNIEXBQ-YOEHRIQHSA-N 2 1 268.404 3.257 20 0 CGADMP c1cc2cnccc2c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000183028678 799114609 /nfs/dbraw/zinc/11/46/09/799114609.db2.gz YQXGAVFQQUJKFJ-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC1=CCCCC1 ZINC000308632452 799217549 /nfs/dbraw/zinc/21/75/49/799217549.db2.gz FVUIWYRWFYNDCE-UHFFFAOYSA-N 2 1 250.430 3.341 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]CCn1cc[nH+]c1C ZINC000320712275 799247586 /nfs/dbraw/zinc/24/75/86/799247586.db2.gz PYOLNDUIOMAWGH-UHFFFAOYSA-N 2 1 295.386 3.143 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379647132 799352054 /nfs/dbraw/zinc/35/20/54/799352054.db2.gz JWGLBKIFMUBBOB-VYDXJSESSA-N 2 1 260.425 3.285 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379655296 799352395 /nfs/dbraw/zinc/35/23/95/799352395.db2.gz LJKJKVCUPNJQKB-JZXOWHBKSA-N 2 1 290.451 3.054 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001255857946 806771926 /nfs/dbraw/zinc/77/19/26/806771926.db2.gz ZCGIOKRLKNNIQK-HNNXBMFYSA-N 2 1 280.431 3.468 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001255857946 806771928 /nfs/dbraw/zinc/77/19/28/806771928.db2.gz ZCGIOKRLKNNIQK-HNNXBMFYSA-N 2 1 280.431 3.468 20 0 CGADMP CC[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000687961043 799741295 /nfs/dbraw/zinc/74/12/95/799741295.db2.gz GCQKJOGCAJSJMI-LBPRGKRZSA-N 2 1 264.438 3.016 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699292259 799859510 /nfs/dbraw/zinc/85/95/10/799859510.db2.gz NKVGJAXFYVKLNY-FUDCBSFHSA-N 2 1 264.438 3.272 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699304929 799859840 /nfs/dbraw/zinc/85/98/40/799859840.db2.gz JMBROUCWAWWYLF-VHRNVKJDSA-N 2 1 278.827 3.302 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)C[NH2+]1 ZINC000708850891 799998093 /nfs/dbraw/zinc/99/80/93/799998093.db2.gz ROKNWKIJNZYFNQ-KBMXLJTQSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC001255949219 806794277 /nfs/dbraw/zinc/79/42/77/806794277.db2.gz VHQKDFIPJKRPFH-CXAGYDPISA-N 2 1 276.424 3.090 20 0 CGADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000709595680 800011068 /nfs/dbraw/zinc/01/10/68/800011068.db2.gz GNXAVSGGODTRHR-GFCCVEGCSA-N 2 1 266.351 3.170 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001255960325 806800928 /nfs/dbraw/zinc/80/09/28/806800928.db2.gz GRXBBLIUHRIKNV-DOTOQJQBSA-N 2 1 275.440 3.339 20 0 CGADMP Cc1ccc(F)c(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000710730541 800038362 /nfs/dbraw/zinc/03/83/62/800038362.db2.gz UJVVXIRTFFRMQU-UHFFFAOYSA-N 2 1 252.377 3.085 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710841306 800040634 /nfs/dbraw/zinc/04/06/34/800040634.db2.gz HVEDGQOPJJHCFU-UHFFFAOYSA-N 2 1 278.440 3.425 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC000711051373 800046454 /nfs/dbraw/zinc/04/64/54/800046454.db2.gz UPJOOASKNOMCAI-INIZCTEOSA-N 2 1 260.425 3.348 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001255957670 806799552 /nfs/dbraw/zinc/79/95/52/806799552.db2.gz UHTZBNYCPYAJCE-WBVHZDCISA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H]1c1cccnc1 ZINC001255957670 806799557 /nfs/dbraw/zinc/79/95/57/806799557.db2.gz UHTZBNYCPYAJCE-WBVHZDCISA-N 2 1 275.440 3.339 20 0 CGADMP C[C@H]1c2sccc2CC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000711815073 800073509 /nfs/dbraw/zinc/07/35/09/800073509.db2.gz HFCYZIVZTFIHPU-STQMWFEESA-N 2 1 264.438 3.057 20 0 CGADMP CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)CC[NH+](CC)CC)C2 ZINC001255961617 806800877 /nfs/dbraw/zinc/80/08/77/806800877.db2.gz XCTKSKWTKUCGMO-KURKYZTESA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001255960325 806800936 /nfs/dbraw/zinc/80/09/36/806800936.db2.gz GRXBBLIUHRIKNV-DOTOQJQBSA-N 2 1 275.440 3.339 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000715493134 800136407 /nfs/dbraw/zinc/13/64/07/800136407.db2.gz WXXJAKVTAAAHCV-MNOVXSKESA-N 2 1 272.845 3.364 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCc1ccccc1F ZINC001255972238 806804382 /nfs/dbraw/zinc/80/43/82/806804382.db2.gz NTUOTTGTPDRPRP-OAHLLOKOSA-N 2 1 280.431 3.420 20 0 CGADMP CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716711539 800178385 /nfs/dbraw/zinc/17/83/85/800178385.db2.gz IFOZHAVJQNLKEZ-BZSNNMDCSA-N 2 1 272.436 3.285 20 0 CGADMP CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709503 800179078 /nfs/dbraw/zinc/17/90/78/800179078.db2.gz AAKNUJSVYUBVLJ-ULQDDVLXSA-N 2 1 258.409 3.038 20 0 CGADMP CSCc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000724725659 800366116 /nfs/dbraw/zinc/36/61/16/800366116.db2.gz ZDYKZOQUEAFGGG-QGZVFWFLSA-N 2 1 292.492 3.371 20 0 CGADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CF)c2ccc(F)cc2)C1 ZINC000925729439 800633069 /nfs/dbraw/zinc/63/30/69/800633069.db2.gz QCHVOFDPSNSYOI-RBSFLKMASA-N 2 1 282.378 3.332 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2C2CCN(C)CC2)c1 ZINC001256202357 806849589 /nfs/dbraw/zinc/84/95/89/806849589.db2.gz WJJQSHKANWAXMD-QGZVFWFLSA-N 2 1 258.409 3.226 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001256358559 806865779 /nfs/dbraw/zinc/86/57/79/806865779.db2.gz UNLQIQFBUNGTGC-HNNXBMFYSA-N 3 1 285.520 3.286 20 0 CGADMP COC(=[NH2+])c1cccc(NCc2cccc(C[NH+](C)C)c2)c1 ZINC001163998753 806872187 /nfs/dbraw/zinc/87/21/87/806872187.db2.gz KJHMHSRMQXELIN-UHFFFAOYSA-N 2 1 297.402 3.332 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001256396868 806880945 /nfs/dbraw/zinc/88/09/45/806880945.db2.gz LXEGMRXVLHHZCW-APWZRJJASA-N 2 1 297.446 3.295 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccccn1 ZINC001256406002 806885336 /nfs/dbraw/zinc/88/53/36/806885336.db2.gz RFQSBELFKWUENX-SJORKVTESA-N 2 1 297.446 3.110 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256525773 806909519 /nfs/dbraw/zinc/90/95/19/806909519.db2.gz FAMPTOSRAYLASU-DKIMLUQUSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256525773 806909522 /nfs/dbraw/zinc/90/95/22/806909522.db2.gz FAMPTOSRAYLASU-DKIMLUQUSA-N 2 1 290.426 3.377 20 0 CGADMP COCC(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256524804 806909977 /nfs/dbraw/zinc/90/99/77/806909977.db2.gz YPBSRDWRWMSHSM-DOTOQJQBSA-N 2 1 290.451 3.054 20 0 CGADMP COCC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256524804 806909982 /nfs/dbraw/zinc/90/99/82/806909982.db2.gz YPBSRDWRWMSHSM-DOTOQJQBSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256537835 806913345 /nfs/dbraw/zinc/91/33/45/806913345.db2.gz PEAFFCNSPONPLK-NVXWUHKLSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256537835 806913350 /nfs/dbraw/zinc/91/33/50/806913350.db2.gz PEAFFCNSPONPLK-NVXWUHKLSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256537835 806913358 /nfs/dbraw/zinc/91/33/58/806913358.db2.gz PEAFFCNSPONPLK-NVXWUHKLSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256537835 806913360 /nfs/dbraw/zinc/91/33/60/806913360.db2.gz PEAFFCNSPONPLK-NVXWUHKLSA-N 2 1 260.425 3.380 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537522 806913646 /nfs/dbraw/zinc/91/36/46/806913646.db2.gz NTPJACLOHHWFNE-RDJZCZTQSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537522 806913652 /nfs/dbraw/zinc/91/36/52/806913652.db2.gz NTPJACLOHHWFNE-RDJZCZTQSA-N 2 1 272.436 3.381 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001256568875 806917611 /nfs/dbraw/zinc/91/76/11/806917611.db2.gz IXSZBMKOAYDWDI-ZDUSSCGKSA-N 2 1 292.389 3.319 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001256568875 806917612 /nfs/dbraw/zinc/91/76/12/806917612.db2.gz IXSZBMKOAYDWDI-ZDUSSCGKSA-N 2 1 292.389 3.319 20 0 CGADMP C[N@@H+](CCc1ccccc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256568982 806917718 /nfs/dbraw/zinc/91/77/18/806917718.db2.gz MWYZJIXSNNDMSG-UHFFFAOYSA-N 2 1 274.452 3.424 20 0 CGADMP CC[N@H+](Cc1cccnc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574177 806921269 /nfs/dbraw/zinc/92/12/69/806921269.db2.gz VKNXHXBRXDCEPT-UHFFFAOYSA-N 2 1 275.440 3.166 20 0 CGADMP CC[N@@H+](Cc1cccnc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574177 806921272 /nfs/dbraw/zinc/92/12/72/806921272.db2.gz VKNXHXBRXDCEPT-UHFFFAOYSA-N 2 1 275.440 3.166 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001256612706 806926525 /nfs/dbraw/zinc/92/65/25/806926525.db2.gz PUSWMLUQFRNZNW-WTXIUTQJSA-N 2 1 286.419 3.033 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001256612706 806926527 /nfs/dbraw/zinc/92/65/27/806926527.db2.gz PUSWMLUQFRNZNW-WTXIUTQJSA-N 2 1 286.419 3.033 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC001116288260 802324198 /nfs/dbraw/zinc/32/41/98/802324198.db2.gz GEPBBEXZCZMPPA-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC001116288260 802324206 /nfs/dbraw/zinc/32/42/06/802324206.db2.gz GEPBBEXZCZMPPA-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172382446 808275885 /nfs/dbraw/zinc/27/58/85/808275885.db2.gz LGKAJHCHGBBQJS-OFQRWUPVSA-N 2 1 252.446 3.227 20 0 CGADMP CCOCC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172430317 808308418 /nfs/dbraw/zinc/30/84/18/808308418.db2.gz GQSDYVFDSIKXAY-ULQDDVLXSA-N 2 1 282.472 3.140 20 0 CGADMP CCOCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172430317 808308423 /nfs/dbraw/zinc/30/84/23/808308423.db2.gz GQSDYVFDSIKXAY-ULQDDVLXSA-N 2 1 282.472 3.140 20 0 CGADMP CCOCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172430317 808308429 /nfs/dbraw/zinc/30/84/29/808308429.db2.gz GQSDYVFDSIKXAY-ULQDDVLXSA-N 2 1 282.472 3.140 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC001118122240 802526850 /nfs/dbraw/zinc/52/68/50/802526850.db2.gz RVMBUTYOWWRYQY-XHDPSFHLSA-N 2 1 250.386 3.017 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC001118121195 802527451 /nfs/dbraw/zinc/52/74/51/802527451.db2.gz BIGATHUJFHAJFG-RYUDHWBXSA-N 2 1 286.366 3.245 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118242988 802540964 /nfs/dbraw/zinc/54/09/64/802540964.db2.gz MFQPQYQGTWSPNW-OAHLLOKOSA-N 2 1 252.446 3.134 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC001119623578 802686251 /nfs/dbraw/zinc/68/62/51/802686251.db2.gz IZPASPIKNQLSMS-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC001119623578 802686256 /nfs/dbraw/zinc/68/62/56/802686256.db2.gz IZPASPIKNQLSMS-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C2CC2)C2CCCC2)CC1 ZINC001180558904 810010351 /nfs/dbraw/zinc/01/03/51/810010351.db2.gz YZRXZWRDXIDMCB-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)o3)C[C@@H]2C1 ZINC001119988139 802720563 /nfs/dbraw/zinc/72/05/63/802720563.db2.gz FUBNPOGDZKLQMR-FRRDWIJNSA-N 2 1 282.815 3.095 20 0 CGADMP Cc1[nH+]ccn1CCNc1nccc2c3c([nH]c21)CCCC3 ZINC001120954329 802797051 /nfs/dbraw/zinc/79/70/51/802797051.db2.gz WLONYWJYQQTKPG-UHFFFAOYSA-N 2 1 295.390 3.059 20 0 CGADMP C[C@@H](CCCC(C)(C)O)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256902416 807004545 /nfs/dbraw/zinc/00/45/45/807004545.db2.gz UIENUXOTVQMUBD-JKSUJKDBSA-N 2 1 296.499 3.313 20 0 CGADMP C[C@@H](CCCC(C)(C)O)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256902416 807004553 /nfs/dbraw/zinc/00/45/53/807004553.db2.gz UIENUXOTVQMUBD-JKSUJKDBSA-N 2 1 296.499 3.313 20 0 CGADMP OCCCCCCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907174 807006438 /nfs/dbraw/zinc/00/64/38/807006438.db2.gz GRNBZOBPQALGTF-KRWDZBQOSA-N 2 1 296.499 3.316 20 0 CGADMP OCCCCCCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907174 807006448 /nfs/dbraw/zinc/00/64/48/807006448.db2.gz GRNBZOBPQALGTF-KRWDZBQOSA-N 2 1 296.499 3.316 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206807959 813444010 /nfs/dbraw/zinc/44/40/10/813444010.db2.gz IYJUYVBJYUKDFF-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206807959 813444013 /nfs/dbraw/zinc/44/40/13/813444013.db2.gz IYJUYVBJYUKDFF-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)CC2CC(F)(F)C2)CCCC1 ZINC001208185304 813735244 /nfs/dbraw/zinc/73/52/44/813735244.db2.gz AAQNVKUWHUZNOQ-UHFFFAOYSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2c2ccccn2)CCCC1 ZINC001208187041 813735843 /nfs/dbraw/zinc/73/58/43/813735843.db2.gz FENLROOYBUJKOI-QGZVFWFLSA-N 2 1 287.451 3.341 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208185539 813736054 /nfs/dbraw/zinc/73/60/54/813736054.db2.gz FMZRKPKIUASLLR-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP Nc1[nH]c2cc(-c3ccc(C4CC[NH2+]CC4)cc3)ccc2[nH+]1 ZINC001245527063 803790593 /nfs/dbraw/zinc/79/05/93/803790593.db2.gz SPXCEDSYDSHCAP-UHFFFAOYSA-N 2 1 292.386 3.279 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(F)(F)CC2)cc1 ZINC001138542715 803965474 /nfs/dbraw/zinc/96/54/74/803965474.db2.gz GLCHWCXHJGPODM-UHFFFAOYSA-N 2 1 291.345 3.412 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC)CC[NH2+]1 ZINC001246073065 804111066 /nfs/dbraw/zinc/11/10/66/804111066.db2.gz SMMWPLCRVALGAV-CVEARBPZSA-N 2 1 276.424 3.096 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246074775 804114858 /nfs/dbraw/zinc/11/48/58/804114858.db2.gz FMAZVMPIGSYLBE-AWEZNQCLSA-N 2 1 278.827 3.449 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246084636 804119428 /nfs/dbraw/zinc/11/94/28/804119428.db2.gz LJKCZBVTAXSRCR-ZOWXZIJZSA-N 2 1 266.816 3.001 20 0 CGADMP CCCCC(CCCC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246088476 804120684 /nfs/dbraw/zinc/12/06/84/804120684.db2.gz KAVYAUDIRWEKNP-UHFFFAOYSA-N 2 1 283.504 3.010 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC001246084757 804120779 /nfs/dbraw/zinc/12/07/79/804120779.db2.gz GNONAUUYULBZMK-WFASDCNBSA-N 2 1 284.806 3.345 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086304 804120822 /nfs/dbraw/zinc/12/08/22/804120822.db2.gz TZIQJCVZBNGDNH-TUAOUCFPSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246093811 804125607 /nfs/dbraw/zinc/12/56/07/804125607.db2.gz YBFGIMHZWDPXEV-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP CCn1ccc2ccc(C[NH+]3C[C@@H]4C[NH+](CC)C[C@H]4C3)cc21 ZINC001139119941 804132861 /nfs/dbraw/zinc/13/28/61/804132861.db2.gz GHCCBFAEZJBTSB-ROUUACIJSA-N 2 1 297.446 3.045 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246108642 804140241 /nfs/dbraw/zinc/14/02/41/804140241.db2.gz KTAHIHXZJPFRMR-FMSQNYNMSA-N 2 1 299.245 3.048 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246113722 804145071 /nfs/dbraw/zinc/14/50/71/804145071.db2.gz JUOUZMRHZQVCEU-WBTNSWJXSA-N 2 1 288.435 3.409 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246118284 804149842 /nfs/dbraw/zinc/14/98/42/804149842.db2.gz PHZOHSUTACKZJA-BPQIPLTHSA-N 2 1 274.452 3.231 20 0 CGADMP Cc1cccc2[nH]cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)c21 ZINC001139200502 804159049 /nfs/dbraw/zinc/15/90/49/804159049.db2.gz ZFPXKIIHDGUPFY-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)c21 ZINC001139200502 804159057 /nfs/dbraw/zinc/15/90/57/804159057.db2.gz ZFPXKIIHDGUPFY-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)c21 ZINC001139200502 804159060 /nfs/dbraw/zinc/15/90/60/804159060.db2.gz ZFPXKIIHDGUPFY-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246133644 804159243 /nfs/dbraw/zinc/15/92/43/804159243.db2.gz KYEBRYYGPXEDBY-UHOFOFEASA-N 2 1 278.827 3.145 20 0 CGADMP Clc1cccc2c1C[C@@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)CC2 ZINC001246136742 804160497 /nfs/dbraw/zinc/16/04/97/804160497.db2.gz SRUAOKWBRYUHNI-RRQGHBQHSA-N 2 1 290.838 3.072 20 0 CGADMP c1ccc(C2([NH2+][C@@H]3CCCC[NH2+]C3)CCCC2)cc1 ZINC001246174848 804189124 /nfs/dbraw/zinc/18/91/24/804189124.db2.gz FMZKUJAQAKFNHR-MRXNPFEDSA-N 2 1 258.409 3.188 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)C[NH2+]1 ZINC001246176699 804191317 /nfs/dbraw/zinc/19/13/17/804191317.db2.gz ABCMPESQLPXYHD-BXUZGUMPSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(N)c1 ZINC001246175644 804191339 /nfs/dbraw/zinc/19/13/39/804191339.db2.gz LZMHDMVYQYRYMT-JVPBZIDWSA-N 2 1 295.430 3.413 20 0 CGADMP CCCC[N@@H+](C)CCCN[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246185919 804197214 /nfs/dbraw/zinc/19/72/14/804197214.db2.gz WQISWULLKODIIR-FVQHAEBGSA-N 3 1 283.504 3.007 20 0 CGADMP CCCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246185919 804197218 /nfs/dbraw/zinc/19/72/18/804197218.db2.gz WQISWULLKODIIR-FVQHAEBGSA-N 3 1 283.504 3.007 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246185919 804197223 /nfs/dbraw/zinc/19/72/23/804197223.db2.gz WQISWULLKODIIR-FVQHAEBGSA-N 3 1 283.504 3.007 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246192038 804199937 /nfs/dbraw/zinc/19/99/37/804199937.db2.gz YBCXDQJCIUFJIS-IAGOWNOFSA-N 2 1 260.425 3.130 20 0 CGADMP CCCC[C@H](CC)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246220582 804214898 /nfs/dbraw/zinc/21/48/98/804214898.db2.gz LJKXBLVJZGEPJW-STQMWFEESA-N 2 1 262.388 3.180 20 0 CGADMP CCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246228808 804221584 /nfs/dbraw/zinc/22/15/84/804221584.db2.gz JKVHPEATQUYBER-UONOGXRCSA-N 2 1 276.415 3.426 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246236916 804228687 /nfs/dbraw/zinc/22/86/87/804228687.db2.gz UQVQVLHGZRWDFY-HOTGVXAUSA-N 2 1 278.415 3.390 20 0 CGADMP C[C@@H]1CC([NH2+]C2(c3cccc(Cl)c3)CC2)C[C@@H](C)[NH2+]1 ZINC001246238471 804230866 /nfs/dbraw/zinc/23/08/66/804230866.db2.gz PRJVABWJXJQXTR-VXGBXAGGSA-N 2 1 278.827 3.448 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246238554 804231016 /nfs/dbraw/zinc/23/10/16/804231016.db2.gz PTSGWQDTRMJNTK-LSDHHAIUSA-N 2 1 278.827 3.449 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246263193 804243991 /nfs/dbraw/zinc/24/39/91/804243991.db2.gz BZOAXXOSYWEESS-RTBURBONSA-N 2 1 282.431 3.167 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246265045 804246038 /nfs/dbraw/zinc/24/60/38/804246038.db2.gz HNIUPLURXDRDJJ-UKRRQHHQSA-N 2 1 280.481 3.066 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](CC)C1)c1ccccc1F ZINC001246266832 804246385 /nfs/dbraw/zinc/24/63/85/804246385.db2.gz SAWZIMFDYFSCQB-XEZPLFJOSA-N 2 1 264.388 3.397 20 0 CGADMP CCC[C@@H]([NH2+][C@H](C)CC[NH2+]C)c1ccccc1F ZINC001246278254 804252988 /nfs/dbraw/zinc/25/29/88/804252988.db2.gz UKSHHWBCPKRGBA-IUODEOHRSA-N 2 1 252.377 3.255 20 0 CGADMP CCC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1F ZINC001246276209 804253767 /nfs/dbraw/zinc/25/37/67/804253767.db2.gz KSDCBGPGGUUNKE-HEHGZKQESA-N 2 1 264.388 3.397 20 0 CGADMP c1ccc([C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C2CCC2)cc1 ZINC001246286976 804260101 /nfs/dbraw/zinc/26/01/01/804260101.db2.gz JBMCMQNHPOHJRG-SJORKVTESA-N 2 1 258.409 3.260 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246301471 804268423 /nfs/dbraw/zinc/26/84/23/804268423.db2.gz XQFIIPXXJBHNFT-HIFRSBDPSA-N 2 1 280.481 3.066 20 0 CGADMP COc1ccc2cccc(CCN[C@@H]3CC[C@@H](C)[NH2+]C3)c2c1 ZINC001246316030 804277864 /nfs/dbraw/zinc/27/78/64/804277864.db2.gz OHESOTTYGCDIKW-RHSMWYFYSA-N 2 1 298.430 3.121 20 0 CGADMP COc1ccc2cccc(CC[NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)c2c1 ZINC001246316030 804277871 /nfs/dbraw/zinc/27/78/71/804277871.db2.gz OHESOTTYGCDIKW-RHSMWYFYSA-N 2 1 298.430 3.121 20 0 CGADMP CC[C@H]([NH2+][C@H](C)CC[NH2+]C)c1ccccc1Cl ZINC001246318423 804278656 /nfs/dbraw/zinc/27/86/56/804278656.db2.gz UCDMONUVSAUIEG-RISCZKNCSA-N 2 1 254.805 3.379 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246329748 804284630 /nfs/dbraw/zinc/28/46/30/804284630.db2.gz SMWALYZWBSEJDG-BPQIPLTHSA-N 2 1 274.452 3.374 20 0 CGADMP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001139810858 804286863 /nfs/dbraw/zinc/28/68/63/804286863.db2.gz VBOOYFKTKPTPML-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1cnc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001139810858 804286869 /nfs/dbraw/zinc/28/68/69/804286869.db2.gz VBOOYFKTKPTPML-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001246342959 804293722 /nfs/dbraw/zinc/29/37/22/804293722.db2.gz CZOGUTWHXZFLRK-PREGVCBESA-N 2 1 290.451 3.340 20 0 CGADMP Cc1ccc(Cl)c(CC[NH2+][C@H]2CCCC[NH2+]C2)c1F ZINC001246342146 804294159 /nfs/dbraw/zinc/29/41/59/804294159.db2.gz FSBZYKVXHNYMIB-LBPRGKRZSA-N 2 1 284.806 3.062 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246343616 804296998 /nfs/dbraw/zinc/29/69/98/804296998.db2.gz NKMNPYDOWALFLL-PBWFPOADSA-N 2 1 264.800 3.021 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246344405 804297047 /nfs/dbraw/zinc/29/70/47/804297047.db2.gz JVYFFVACOILCCQ-OAGGEKHMSA-N 2 1 260.425 3.286 20 0 CGADMP [NH3+]CC1([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CCC1 ZINC001246358248 804304725 /nfs/dbraw/zinc/30/47/25/804304725.db2.gz ZGZCQFCFQABYBF-JKSUJKDBSA-N 2 1 258.409 3.184 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883175 804312216 /nfs/dbraw/zinc/31/22/16/804312216.db2.gz FWLZHFSSLAUKLJ-WMZOPIPTSA-N 2 1 270.420 3.090 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)C[NH2+]1 ZINC001246433595 804331624 /nfs/dbraw/zinc/33/16/24/804331624.db2.gz RXWKSDWDWNOFKC-YOEHRIQHSA-N 2 1 290.426 3.269 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246472375 804348553 /nfs/dbraw/zinc/34/85/53/804348553.db2.gz XHYMCVZZZFXXCB-IAQYHMDHSA-N 2 1 284.806 3.142 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2cn1 ZINC001140001009 804349733 /nfs/dbraw/zinc/34/97/33/804349733.db2.gz ROSDAOHPVLAEMC-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2cn1 ZINC001140001009 804349741 /nfs/dbraw/zinc/34/97/41/804349741.db2.gz ROSDAOHPVLAEMC-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP CCC[N@H+](CC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140022229 804353575 /nfs/dbraw/zinc/35/35/75/804353575.db2.gz BOPRPUCSKPNGAM-UHFFFAOYSA-N 2 1 257.381 3.413 20 0 CGADMP CCC[N@@H+](CC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140022229 804353582 /nfs/dbraw/zinc/35/35/82/804353582.db2.gz BOPRPUCSKPNGAM-UHFFFAOYSA-N 2 1 257.381 3.413 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246484602 804355997 /nfs/dbraw/zinc/35/59/97/804355997.db2.gz XZYFTAUVLJRXTG-ZBFHGGJFSA-N 2 1 296.405 3.151 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+](C)C1CC(F)(F)C1 ZINC001140023820 804356244 /nfs/dbraw/zinc/35/62/44/804356244.db2.gz YUUVCIUPLBPENO-UHFFFAOYSA-N 2 1 291.345 3.410 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C1CC(F)(F)C1 ZINC001140023820 804356255 /nfs/dbraw/zinc/35/62/55/804356255.db2.gz YUUVCIUPLBPENO-UHFFFAOYSA-N 2 1 291.345 3.410 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246487844 804357266 /nfs/dbraw/zinc/35/72/66/804357266.db2.gz MUTOQYDWIZIAOG-ZIAGYGMSSA-N 2 1 276.415 3.426 20 0 CGADMP CCCC(C[NH3+])(CCC)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246494076 804360318 /nfs/dbraw/zinc/36/03/18/804360318.db2.gz CZOAWLAEMUBWFG-INIZCTEOSA-N 2 1 295.515 3.281 20 0 CGADMP C[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246518182 804371278 /nfs/dbraw/zinc/37/12/78/804371278.db2.gz FILQHUHWHMAZDY-LSDHHAIUSA-N 2 1 250.430 3.316 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCc3ccccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246518469 804372224 /nfs/dbraw/zinc/37/22/24/804372224.db2.gz GNDMDQVVJMVZCO-IAGOWNOFSA-N 2 1 272.436 3.354 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246523020 804376141 /nfs/dbraw/zinc/37/61/41/804376141.db2.gz VRRTWDIHEKQHPZ-QGZVFWFLSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246531400 804384591 /nfs/dbraw/zinc/38/45/91/804384591.db2.gz QQGBQIQIILJVAI-ZACQAIPSSA-N 2 1 258.409 3.136 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CC1 ZINC001246537941 804385620 /nfs/dbraw/zinc/38/56/20/804385620.db2.gz FZZMYMFDUQQIIL-NWJOVSIXSA-N 2 1 264.457 3.262 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246547033 804396752 /nfs/dbraw/zinc/39/67/52/804396752.db2.gz AICJOPKTFWKFSJ-FRRDWIJNSA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246547033 804396763 /nfs/dbraw/zinc/39/67/63/804396763.db2.gz AICJOPKTFWKFSJ-FRRDWIJNSA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246549927 804400405 /nfs/dbraw/zinc/40/04/05/804400405.db2.gz MKVWBNLMABDUDA-HYVNUMGLSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246553398 804402051 /nfs/dbraw/zinc/40/20/51/804402051.db2.gz RMJYCMDFSZIAFX-PBHICJAKSA-N 2 1 292.854 3.401 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CC3)CC2)CC[C@@H]1C[NH3+] ZINC001246553817 804403881 /nfs/dbraw/zinc/40/38/81/804403881.db2.gz AEQUCNUSIJJDAQ-ZIAGYGMSSA-N 2 1 250.430 3.016 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246554545 804404571 /nfs/dbraw/zinc/40/45/71/804404571.db2.gz WHTADWAPEMEXQE-RDJZCZTQSA-N 2 1 260.425 3.129 20 0 CGADMP CCC1CCC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246562634 804411166 /nfs/dbraw/zinc/41/11/66/804411166.db2.gz VWBLNDKKMHBZFF-JWMHWRSXSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CC1 ZINC001246563030 804411778 /nfs/dbraw/zinc/41/17/78/804411778.db2.gz ISDKGSUUNORDPI-UIDBIOKJSA-N 2 1 252.446 3.260 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC001246563367 804412550 /nfs/dbraw/zinc/41/25/50/804412550.db2.gz QGLJXPYFRCMCPY-PBFPGSCMSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]1C[N@H+](C2CCc3ccccc3CC2)CCC[C@H]1C[NH3+] ZINC001246566540 804413190 /nfs/dbraw/zinc/41/31/90/804413190.db2.gz IZTMQQYRJRQEMY-YJBOKZPZSA-N 2 1 286.463 3.241 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001246565779 804413528 /nfs/dbraw/zinc/41/35/28/804413528.db2.gz PUAYTLPKPVEUAQ-LZLYRXPVSA-N 2 1 274.452 3.375 20 0 CGADMP CC1CC([N@@H+](C)[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246570015 804417058 /nfs/dbraw/zinc/41/70/58/804417058.db2.gz GTYROWNXJAWYLW-FZBQFSLMSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001246574866 804422135 /nfs/dbraw/zinc/42/21/35/804422135.db2.gz JJTYJEXUNKUYBJ-CRAIPNDOSA-N 2 1 290.426 3.134 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246581534 804425775 /nfs/dbraw/zinc/42/57/75/804425775.db2.gz QLXHXRZXQXNRQD-HUUCEWRRSA-N 2 1 258.425 3.498 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246581534 804425778 /nfs/dbraw/zinc/42/57/78/804425778.db2.gz QLXHXRZXQXNRQD-HUUCEWRRSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCC3(CCOCC3)CC2)CC1 ZINC001246582652 804426354 /nfs/dbraw/zinc/42/63/54/804426354.db2.gz RYJOHAOYJGZIKY-QGZVFWFLSA-N 2 1 294.483 3.177 20 0 CGADMP CCCOC1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246583798 804427392 /nfs/dbraw/zinc/42/73/92/804427392.db2.gz VKIRQTVJJRNZSF-JCYILVPMSA-N 2 1 282.472 3.175 20 0 CGADMP COc1cccc(C[C@@H](C)[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001246587036 804430027 /nfs/dbraw/zinc/43/00/27/804430027.db2.gz VEKZFWMHKBBTNA-CRAIPNDOSA-N 2 1 290.451 3.077 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001246590056 804430985 /nfs/dbraw/zinc/43/09/85/804430985.db2.gz IBHZXSZNIMBMST-LZLYRXPVSA-N 2 1 274.452 3.375 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001246592571 804432922 /nfs/dbraw/zinc/43/29/22/804432922.db2.gz KMNPRKQVZHXRGW-KRWDZBQOSA-N 2 1 294.483 3.177 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591952 804433980 /nfs/dbraw/zinc/43/39/80/804433980.db2.gz JYICUDLPVUFBEX-IRXDYDNUSA-N 2 1 292.854 3.258 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246604401 804440027 /nfs/dbraw/zinc/44/00/27/804440027.db2.gz LROUFACGMQHNDA-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP CC1(C)CC[C@@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246607481 804442611 /nfs/dbraw/zinc/44/26/11/804442611.db2.gz DYYUCTPVZARDDA-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246611993 804447403 /nfs/dbraw/zinc/44/74/03/804447403.db2.gz VXWWPJWRDOIRPJ-JKSUJKDBSA-N 2 1 250.430 3.339 20 0 CGADMP FC(F)(F)C1CCC([N@@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246611625 804447489 /nfs/dbraw/zinc/44/74/89/804447489.db2.gz UUTYXXOEIDBIEY-RUXDESIVSA-N 2 1 290.373 3.326 20 0 CGADMP FC(F)(F)C1CCC([N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246611625 804447492 /nfs/dbraw/zinc/44/74/92/804447492.db2.gz UUTYXXOEIDBIEY-RUXDESIVSA-N 2 1 290.373 3.326 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246615468 804450820 /nfs/dbraw/zinc/45/08/20/804450820.db2.gz WDWSVZBFDUZVQC-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246615468 804450824 /nfs/dbraw/zinc/45/08/24/804450824.db2.gz WDWSVZBFDUZVQC-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246617935 804451398 /nfs/dbraw/zinc/45/13/98/804451398.db2.gz DXEBTSBWGSDEJL-BPQIPLTHSA-N 2 1 284.447 3.254 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246616621 804452656 /nfs/dbraw/zinc/45/26/56/804452656.db2.gz YTBMCHOJESSXGG-IRXDYDNUSA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246616621 804452657 /nfs/dbraw/zinc/45/26/57/804452657.db2.gz YTBMCHOJESSXGG-IRXDYDNUSA-N 2 1 290.838 3.025 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H]1C ZINC001246619844 804454279 /nfs/dbraw/zinc/45/42/79/804454279.db2.gz IVJXHBPZVXLXMN-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246623346 804455754 /nfs/dbraw/zinc/45/57/54/804455754.db2.gz PVMMUYGHQYDIKK-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246623346 804455757 /nfs/dbraw/zinc/45/57/57/804455757.db2.gz PVMMUYGHQYDIKK-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP C1CC2(CCCC2)[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246625010 804457338 /nfs/dbraw/zinc/45/73/38/804457338.db2.gz OLWZGCVLFDGLCX-HNNXBMFYSA-N 2 1 262.441 3.460 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624767 804457519 /nfs/dbraw/zinc/45/75/19/804457519.db2.gz RZAXRWPDYUKERE-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624767 804457522 /nfs/dbraw/zinc/45/75/22/804457522.db2.gz RZAXRWPDYUKERE-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246629530 804460240 /nfs/dbraw/zinc/46/02/40/804460240.db2.gz FXAYKEFVNKLBBU-RDJZCZTQSA-N 2 1 290.476 3.161 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC(C)(C)C1 ZINC001246628851 804460923 /nfs/dbraw/zinc/46/09/23/804460923.db2.gz YFNVEXQPUBOIQO-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC(C)(C)C1 ZINC001246628847 804461247 /nfs/dbraw/zinc/46/12/47/804461247.db2.gz YFNVEXQPUBOIQO-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246632558 804462114 /nfs/dbraw/zinc/46/21/14/804462114.db2.gz XHMUHRGZKTZJGM-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H]1CC([N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C[C@H](C)C1 ZINC001246634767 804463784 /nfs/dbraw/zinc/46/37/84/804463784.db2.gz PGIXLPPVZPRIDS-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C[C@H](C)C1 ZINC001246634767 804463787 /nfs/dbraw/zinc/46/37/87/804463787.db2.gz PGIXLPPVZPRIDS-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)C2 ZINC001246634535 804464416 /nfs/dbraw/zinc/46/44/16/804464416.db2.gz ODGDUIPOHOLOLR-ICSRJNTNSA-N 2 1 298.474 3.460 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246637237 804465503 /nfs/dbraw/zinc/46/55/03/804465503.db2.gz MRDIPYFZQKGYFC-DLBZAZTESA-N 2 1 282.472 3.047 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)C[C@@H](C)C1 ZINC001246639780 804467642 /nfs/dbraw/zinc/46/76/42/804467642.db2.gz QTJCVDQZBGWWBD-YJNKXOJESA-N 2 1 286.410 3.132 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246639314 804468060 /nfs/dbraw/zinc/46/80/60/804468060.db2.gz QIASPBYYKZKVDE-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP C1CC12CC[NH+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246642291 804468990 /nfs/dbraw/zinc/46/89/90/804468990.db2.gz LWNJIHDJLDNGJI-OAHLLOKOSA-N 2 1 262.441 3.317 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC001246642946 804470112 /nfs/dbraw/zinc/47/01/12/804470112.db2.gz FTPXNAYHBVSOEV-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246642994 804470517 /nfs/dbraw/zinc/47/05/17/804470517.db2.gz LDOLQKUHSMNAOS-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246649533 804477523 /nfs/dbraw/zinc/47/75/23/804477523.db2.gz CMFDEMJOTVVZLQ-VQTJNVASSA-N 2 1 298.474 3.460 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246653778 804480184 /nfs/dbraw/zinc/48/01/84/804480184.db2.gz JGAOOYUEEHKALK-RCCFBDPRSA-N 2 1 272.436 3.211 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@@H]4CCC[C@H]4C3)CC[NH2+]2)cc1 ZINC001246656159 804480562 /nfs/dbraw/zinc/48/05/62/804480562.db2.gz MNEJXIDPPNIWJZ-VNTMZGSJSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@@H]4CCC[C@H]4C3)CC[NH2+]2)cc1 ZINC001246656159 804480565 /nfs/dbraw/zinc/48/05/65/804480565.db2.gz MNEJXIDPPNIWJZ-VNTMZGSJSA-N 2 1 298.474 3.472 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246658483 804482067 /nfs/dbraw/zinc/48/20/67/804482067.db2.gz UIBSEVWXZBJVJD-YYIAUSFCSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246658483 804482070 /nfs/dbraw/zinc/48/20/70/804482070.db2.gz UIBSEVWXZBJVJD-YYIAUSFCSA-N 2 1 264.457 3.419 20 0 CGADMP CCCCC(CCCC)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246657844 804482348 /nfs/dbraw/zinc/48/23/48/804482348.db2.gz JSFPHARSQYFWBL-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246657844 804482351 /nfs/dbraw/zinc/48/23/51/804482351.db2.gz JSFPHARSQYFWBL-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246660293 804483677 /nfs/dbraw/zinc/48/36/77/804483677.db2.gz OZIJVSJDFGHVRI-UHXUCMFUSA-N 2 1 296.867 3.242 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3C[C@H]4CC[NH2+]C[C@H]43)C2)cc1 ZINC001246662431 804485705 /nfs/dbraw/zinc/48/57/05/804485705.db2.gz JAKIDKYEMLFXSZ-XWTMOSNGSA-N 2 1 270.420 3.007 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246664922 804486898 /nfs/dbraw/zinc/48/68/98/804486898.db2.gz YNRABVBVANMBQN-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H](CC)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677341 804491433 /nfs/dbraw/zinc/49/14/33/804491433.db2.gz HVRQMYKYLHBVSF-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246681502 804494151 /nfs/dbraw/zinc/49/41/51/804494151.db2.gz OYDFPXIBFMOMQB-RDJZCZTQSA-N 2 1 258.409 3.274 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246680999 804494682 /nfs/dbraw/zinc/49/46/82/804494682.db2.gz YZQFRURMCDFPSJ-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001246687026 804495762 /nfs/dbraw/zinc/49/57/62/804495762.db2.gz CNFNCBTZZDKXNH-ZBFHGGJFSA-N 2 1 284.463 3.456 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246769453 804503565 /nfs/dbraw/zinc/50/35/65/804503565.db2.gz KGRHKRSOSCGKFR-DOTOQJQBSA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246769453 804503570 /nfs/dbraw/zinc/50/35/70/804503570.db2.gz KGRHKRSOSCGKFR-DOTOQJQBSA-N 2 1 260.425 3.429 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246779476 804505763 /nfs/dbraw/zinc/50/57/63/804505763.db2.gz HUXWDHPWTQIVER-IAGOWNOFSA-N 2 1 260.425 3.069 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC001246775946 804505876 /nfs/dbraw/zinc/50/58/76/804505876.db2.gz LIOQJRHBIHANGP-GJZGRUSLSA-N 2 1 278.465 3.146 20 0 CGADMP CC[N@@H+]([C@H](C)CCc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC001246799649 804521269 /nfs/dbraw/zinc/52/12/69/804521269.db2.gz YKWVLBIFYQIPKY-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246799445 804521421 /nfs/dbraw/zinc/52/14/21/804521421.db2.gz UQYZUUHNGBPCBJ-JKIFEVAISA-N 2 1 276.399 3.493 20 0 CGADMP CC[NH2+]C1CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246800924 804521452 /nfs/dbraw/zinc/52/14/52/804521452.db2.gz GALVBMHKEUJWID-HNNXBMFYSA-N 2 1 292.854 3.271 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC2CCC(CC2)C1 ZINC001140804971 804522958 /nfs/dbraw/zinc/52/29/58/804522958.db2.gz MHXNYOFTZCVAMP-UHFFFAOYSA-N 2 1 255.365 3.185 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246828120 804539210 /nfs/dbraw/zinc/53/92/10/804539210.db2.gz XLUJYHRXJLCFSZ-QGZVFWFLSA-N 2 1 288.410 3.106 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001246839235 804547981 /nfs/dbraw/zinc/54/79/81/804547981.db2.gz CDHMLNNWFIHGLA-MPTYRVRUSA-N 2 1 290.476 3.145 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001246842307 804549768 /nfs/dbraw/zinc/54/97/68/804549768.db2.gz PHHVPFNXLFLUDB-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843022 804551504 /nfs/dbraw/zinc/55/15/04/804551504.db2.gz SNJMNBOJAVTPSE-FZKCQIBNSA-N 2 1 252.446 3.405 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246843313 804551909 /nfs/dbraw/zinc/55/19/09/804551909.db2.gz FRYBEOLRNDPENE-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC1CCCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246843213 804552269 /nfs/dbraw/zinc/55/22/69/804552269.db2.gz UYZSQUWXVWYTMV-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246846572 804555392 /nfs/dbraw/zinc/55/53/92/804555392.db2.gz OSEWJYOOHNXWER-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246846572 804555397 /nfs/dbraw/zinc/55/53/97/804555397.db2.gz OSEWJYOOHNXWER-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246846506 804556201 /nfs/dbraw/zinc/55/62/01/804556201.db2.gz OFLFOGTXLCHPAP-PMPSAXMXSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246846534 804556931 /nfs/dbraw/zinc/55/69/31/804556931.db2.gz ONCLCUIQBOQTMH-GBESFXJTSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246848793 804558816 /nfs/dbraw/zinc/55/88/16/804558816.db2.gz ODZUUZVJVCAQAQ-KGLIPLIRSA-N 2 1 296.455 3.238 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccccc2)CC[NH2+]1 ZINC001246849202 804560751 /nfs/dbraw/zinc/56/07/51/804560751.db2.gz ZPHDVNDCWMCHCX-WGDYAQENSA-N 2 1 272.436 3.408 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246852632 804562511 /nfs/dbraw/zinc/56/25/11/804562511.db2.gz FAKLESJAKGKWTD-FUHWJXTLSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)CC[NH2+]1 ZINC001246857022 804563107 /nfs/dbraw/zinc/56/31/07/804563107.db2.gz YXMTWCWLRNSTSP-XHSDSOJGSA-N 2 1 282.447 3.367 20 0 CGADMP Cc1ccncc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001141035405 804574668 /nfs/dbraw/zinc/57/46/68/804574668.db2.gz BVSJPRXZLWFDCU-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1ccncc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001141035405 804574673 /nfs/dbraw/zinc/57/46/73/804574673.db2.gz BVSJPRXZLWFDCU-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246878261 804576681 /nfs/dbraw/zinc/57/66/81/804576681.db2.gz KBJDSVSBUDIZSB-QYZOEREBSA-N 2 1 286.463 3.284 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246879430 804576834 /nfs/dbraw/zinc/57/68/34/804576834.db2.gz NMYLGSBTJIPJRO-HZPDHXFCSA-N 2 1 276.424 3.048 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246882797 804577814 /nfs/dbraw/zinc/57/78/14/804577814.db2.gz NZQMWIDCNITMEY-UKRRQHHQSA-N 2 1 266.454 3.347 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246881061 804578605 /nfs/dbraw/zinc/57/86/05/804578605.db2.gz GOZKTEZILKIQNZ-FJBKBRRZSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246908639 804593072 /nfs/dbraw/zinc/59/30/72/804593072.db2.gz LVGUWCZEHMCESN-BCDXTJNWSA-N 2 1 272.436 3.408 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246908397 804593510 /nfs/dbraw/zinc/59/35/10/804593510.db2.gz ASWXGBDHLRLXOK-QZTJIDSGSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246912482 804594889 /nfs/dbraw/zinc/59/48/89/804594889.db2.gz DYHVZQSTSLDYEI-YJBOKZPZSA-N 2 1 272.436 3.429 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246917805 804598703 /nfs/dbraw/zinc/59/87/03/804598703.db2.gz BBMHYBWNDRAGED-WCVJEAGWSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246917805 804598705 /nfs/dbraw/zinc/59/87/05/804598705.db2.gz BBMHYBWNDRAGED-WCVJEAGWSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H](C)[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246934444 804607152 /nfs/dbraw/zinc/60/71/52/804607152.db2.gz FEHSUQMHIRMICC-ZDUSSCGKSA-N 2 1 264.388 3.178 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC2(CCCC2)CC1 ZINC001246934356 804607194 /nfs/dbraw/zinc/60/71/94/804607194.db2.gz CMAULVMJOJMOTK-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP Fc1ccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246934403 804607427 /nfs/dbraw/zinc/60/74/27/804607427.db2.gz IGAQICYMDQZVNA-MVJTYMMSSA-N 2 1 288.410 3.178 20 0 CGADMP Fc1ccc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246934403 804607429 /nfs/dbraw/zinc/60/74/29/804607429.db2.gz IGAQICYMDQZVNA-MVJTYMMSSA-N 2 1 288.410 3.178 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937065 804608280 /nfs/dbraw/zinc/60/82/80/804608280.db2.gz YWCHWYHSJUSWCR-LVQVYYBASA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246935611 804608798 /nfs/dbraw/zinc/60/87/98/804608798.db2.gz GPHMWAJSLBZXRL-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246938851 804609901 /nfs/dbraw/zinc/60/99/01/804609901.db2.gz OFLFOGTXLCHPAP-HRCADAONSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246938315 804611096 /nfs/dbraw/zinc/61/10/96/804611096.db2.gz LXSRINKTYKMMLS-ZNMIVQPWSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CSc1ccc(F)cc1 ZINC001246942163 804612930 /nfs/dbraw/zinc/61/29/30/804612930.db2.gz NIRXKTCSAUXADG-KBPBESRZSA-N 2 1 296.455 3.238 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3CC)C[C@@H]2C1 ZINC001141228683 804615434 /nfs/dbraw/zinc/61/54/34/804615434.db2.gz GCALKXATUTYUJT-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3CC)C[C@@H]2C1 ZINC001141228683 804615438 /nfs/dbraw/zinc/61/54/38/804615438.db2.gz GCALKXATUTYUJT-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246949140 804616018 /nfs/dbraw/zinc/61/60/18/804616018.db2.gz HHPOMFDEEBNAHX-WBVHZDCISA-N 2 1 296.499 3.292 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)C1CCC(C)(C)CC1 ZINC001246948698 804616898 /nfs/dbraw/zinc/61/68/98/804616898.db2.gz FJYMKOIOHIJUFQ-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246958956 804618308 /nfs/dbraw/zinc/61/83/08/804618308.db2.gz UFQXTQDHCZQOMZ-AWEZNQCLSA-N 2 1 278.415 3.487 20 0 CGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(Cl)c(C)c3)C[C@H]2C1 ZINC001141237428 804621133 /nfs/dbraw/zinc/62/11/33/804621133.db2.gz UDCBRRBFJXCPSP-GASCZTMLSA-N 2 1 278.827 3.032 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246968540 804621435 /nfs/dbraw/zinc/62/14/35/804621435.db2.gz RFOKUUFNXQTWPP-GOSISDBHSA-N 2 1 284.447 3.275 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246970396 804623148 /nfs/dbraw/zinc/62/31/48/804623148.db2.gz YRHWRPALZKZJCH-SWLSCSKDSA-N 2 1 298.883 3.491 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246973026 804623190 /nfs/dbraw/zinc/62/31/90/804623190.db2.gz LLQPQESKKPCFKA-WMZOPIPTSA-N 2 1 286.463 3.390 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246975066 804624518 /nfs/dbraw/zinc/62/45/18/804624518.db2.gz RZBMJXPNKDRFQV-UZLBHIALSA-N 2 1 298.474 3.316 20 0 CGADMP c1ccc2c(c1)CCC([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246975004 804624636 /nfs/dbraw/zinc/62/46/36/804624636.db2.gz RGYCKSDOPCJLQY-MRXNPFEDSA-N 2 1 298.474 3.398 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCC(C)(C)C1 ZINC001246975810 804624813 /nfs/dbraw/zinc/62/48/13/804624813.db2.gz PGADJOCMNRNZCS-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC001246977997 804626316 /nfs/dbraw/zinc/62/63/16/804626316.db2.gz GTQXCROGIQCHIM-UHOSZYNNSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@@H]1CC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246984557 804629180 /nfs/dbraw/zinc/62/91/80/804629180.db2.gz IZMDCVNQQHSJMC-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247000783 804633947 /nfs/dbraw/zinc/63/39/47/804633947.db2.gz IKZBUUFGPFRAPR-MLGOLLRUSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247000783 804633952 /nfs/dbraw/zinc/63/39/52/804633952.db2.gz IKZBUUFGPFRAPR-MLGOLLRUSA-N 2 1 298.833 3.471 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001247003726 804635219 /nfs/dbraw/zinc/63/52/19/804635219.db2.gz PSJMLTQNBPYBSV-QAPCUYQASA-N 2 1 274.452 3.241 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001247003359 804635313 /nfs/dbraw/zinc/63/53/13/804635313.db2.gz OKGPULJGZBBQBJ-LLVKDONJSA-N 2 1 297.240 3.194 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001247002637 804635403 /nfs/dbraw/zinc/63/54/03/804635403.db2.gz NOPVKPWKNPVXIF-YOEHRIQHSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001247002637 804635409 /nfs/dbraw/zinc/63/54/09/804635409.db2.gz NOPVKPWKNPVXIF-YOEHRIQHSA-N 2 1 292.854 3.258 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC001247005524 804637039 /nfs/dbraw/zinc/63/70/39/804637039.db2.gz SDRJQBIBVYVWCI-FGTMMUONSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])C2)CC(C)(C)C1 ZINC001247005888 804637912 /nfs/dbraw/zinc/63/79/12/804637912.db2.gz VWOMUQCCUVDFRJ-FMKPAKJESA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H](CC1CC1)[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001247012227 804640280 /nfs/dbraw/zinc/64/02/80/804640280.db2.gz CXPWCBPFYSIXSQ-CQSZACIVSA-N 2 1 270.420 3.270 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247015255 804643512 /nfs/dbraw/zinc/64/35/12/804643512.db2.gz NQLWBJCUBVLSMJ-WDSOQIARSA-N 2 1 286.463 3.390 20 0 CGADMP CC[N@@H+](Cc1ccc2nc(C)ccc2c1)C1CCN(C)CC1 ZINC001141478645 804645075 /nfs/dbraw/zinc/64/50/75/804645075.db2.gz JWVUYTVGSQSICI-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC(C)c1cccc(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001165278709 806986369 /nfs/dbraw/zinc/98/63/69/806986369.db2.gz KUBHXIAIKUPIHC-AWEZNQCLSA-N 2 1 261.413 3.349 20 0 CGADMP CC(C)c1cccc(NCC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC001165278709 806986373 /nfs/dbraw/zinc/98/63/73/806986373.db2.gz KUBHXIAIKUPIHC-AWEZNQCLSA-N 2 1 261.413 3.349 20 0 CGADMP C[C@@]1(F)CCCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256855153 806993047 /nfs/dbraw/zinc/99/30/47/806993047.db2.gz FZABSLPDYKZESE-QGZVFWFLSA-N 2 1 291.414 3.265 20 0 CGADMP CCC1CCC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001256872425 806997218 /nfs/dbraw/zinc/99/72/18/806997218.db2.gz KMZFCQDFUKCRRP-UHFFFAOYSA-N 2 1 276.468 3.373 20 0 CGADMP CCC1CCC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001256872425 806997222 /nfs/dbraw/zinc/99/72/22/806997222.db2.gz KMZFCQDFUKCRRP-UHFFFAOYSA-N 2 1 276.468 3.373 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001165432976 807002920 /nfs/dbraw/zinc/00/29/20/807002920.db2.gz VQMIJOYHBFSSRB-CJNGLKHVSA-N 2 1 299.393 3.056 20 0 CGADMP Cc1c[nH+]cc(NCC2CC[NH+](C(C)C)CC2)c1C ZINC001166623818 807072297 /nfs/dbraw/zinc/07/22/97/807072297.db2.gz XYMKCARNKAKLIZ-UHFFFAOYSA-N 2 1 261.413 3.231 20 0 CGADMP CCC(CC)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001257299725 807093383 /nfs/dbraw/zinc/09/33/83/807093383.db2.gz NENORECSXFKJJW-IRXDYDNUSA-N 2 1 272.436 3.239 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001257465299 807170837 /nfs/dbraw/zinc/17/08/37/807170837.db2.gz ZHJRNQSNPAHFEC-QWHCGFSZSA-N 2 1 251.418 3.470 20 0 CGADMP C[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC001167477072 807196650 /nfs/dbraw/zinc/19/66/50/807196650.db2.gz AFVYWHYTBHBATP-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+](CC[C@@H]1CCc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC001167477072 807196655 /nfs/dbraw/zinc/19/66/55/807196655.db2.gz AFVYWHYTBHBATP-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+](CC[C@@H]1CCc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC001167477072 807196659 /nfs/dbraw/zinc/19/66/59/807196659.db2.gz AFVYWHYTBHBATP-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP C[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC001167477069 807197202 /nfs/dbraw/zinc/19/72/02/807197202.db2.gz AFVYWHYTBHBATP-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+](CC[C@@H]1CCc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC001167477069 807197209 /nfs/dbraw/zinc/19/72/09/807197209.db2.gz AFVYWHYTBHBATP-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+](CC[C@@H]1CCc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC001167477069 807197215 /nfs/dbraw/zinc/19/72/15/807197215.db2.gz AFVYWHYTBHBATP-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C2([NH3+])CC2)cc1 ZINC001167752352 807242857 /nfs/dbraw/zinc/24/28/57/807242857.db2.gz FNPMIAKCPSKCSK-OAHLLOKOSA-N 2 1 287.451 3.311 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCO)Cc1cccs1 ZINC001167825623 807256074 /nfs/dbraw/zinc/25/60/74/807256074.db2.gz KTZIVARXJUDCLT-OAHLLOKOSA-N 2 1 298.496 3.053 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC001258002671 807263565 /nfs/dbraw/zinc/26/35/65/807263565.db2.gz YUFCHDWNYAJMDG-UHFFFAOYSA-N 2 1 297.446 3.445 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCCC3(CCC3)C2)CC1 ZINC001258019133 807265958 /nfs/dbraw/zinc/26/59/58/807265958.db2.gz ZZPKOIQEQCAVNC-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC001258014632 807267531 /nfs/dbraw/zinc/26/75/31/807267531.db2.gz PFVXBJYPOBZNFO-GJZGRUSLSA-N 2 1 252.446 3.227 20 0 CGADMP CCC(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960141 807286887 /nfs/dbraw/zinc/28/68/87/807286887.db2.gz WKZJBCQCGZTCDM-MQVJKMGUSA-N 2 1 250.430 3.170 20 0 CGADMP CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969085 807287467 /nfs/dbraw/zinc/28/74/67/807287467.db2.gz ZWOCUWMYOYYBTB-WWTUQBGBSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccoc1 ZINC001167969480 807287673 /nfs/dbraw/zinc/28/76/73/807287673.db2.gz CRQRQZWJIPSLGW-RJCAOGMDSA-N 2 1 274.408 3.336 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccoc1 ZINC001167969480 807287679 /nfs/dbraw/zinc/28/76/79/807287679.db2.gz CRQRQZWJIPSLGW-RJCAOGMDSA-N 2 1 274.408 3.336 20 0 CGADMP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969314 807288463 /nfs/dbraw/zinc/28/84/63/807288463.db2.gz BIAZFJFOWHGORS-AGUYFDCRSA-N 2 1 290.373 3.324 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258093315 807302750 /nfs/dbraw/zinc/30/27/50/807302750.db2.gz QFQGSQAEKCHJOI-OAGGEKHMSA-N 2 1 250.430 3.005 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258093315 807302758 /nfs/dbraw/zinc/30/27/58/807302758.db2.gz QFQGSQAEKCHJOI-OAGGEKHMSA-N 2 1 250.430 3.005 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258093315 807302766 /nfs/dbraw/zinc/30/27/66/807302766.db2.gz QFQGSQAEKCHJOI-OAGGEKHMSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+](CC)Cc1cccc(NC2C[NH+](C(C)C)C2)c1F ZINC001168317639 807381551 /nfs/dbraw/zinc/38/15/51/807381551.db2.gz PXPUJBUGLJMDTM-UHFFFAOYSA-N 2 1 293.430 3.172 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001168323721 807383118 /nfs/dbraw/zinc/38/31/18/807383118.db2.gz BHJKXXIIWZNUKN-VMBOVVBDSA-N 2 1 273.424 3.091 20 0 CGADMP C[C@@]1(F)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373429 807396814 /nfs/dbraw/zinc/39/68/14/807396814.db2.gz RQKRRQGOVPABQD-MRXNPFEDSA-N 2 1 268.420 3.075 20 0 CGADMP FC(F)(F)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373455 807397409 /nfs/dbraw/zinc/39/74/09/807397409.db2.gz SCBBSLGCMGYSDM-UHFFFAOYSA-N 2 1 290.373 3.135 20 0 CGADMP c1ccc([C@@H]2CC[N@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168387422 807399032 /nfs/dbraw/zinc/39/90/32/807399032.db2.gz IJBPFWYJAGQFBK-SFHVURJKSA-N 2 1 270.420 3.308 20 0 CGADMP c1ccc([C@@H]2CC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168387422 807399039 /nfs/dbraw/zinc/39/90/39/807399039.db2.gz IJBPFWYJAGQFBK-SFHVURJKSA-N 2 1 270.420 3.308 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258455866 807461702 /nfs/dbraw/zinc/46/17/02/807461702.db2.gz FMNABYLOPFUKFM-QGPMSJSTSA-N 2 1 287.451 3.342 20 0 CGADMP Cc1ccc[nH+]c1N([C@H](C)CC1CC1)C1CC[NH2+]CC1 ZINC001258469726 807468515 /nfs/dbraw/zinc/46/85/15/807468515.db2.gz HNKRNNVTWKLJSC-CQSZACIVSA-N 2 1 273.424 3.137 20 0 CGADMP CC(C)C[N@@H+]([C@@H](C)Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258616668 807510762 /nfs/dbraw/zinc/51/07/62/807510762.db2.gz AQHSLDKXPSUAKM-SZMVWBNQSA-N 2 1 289.467 3.241 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001258651877 807523733 /nfs/dbraw/zinc/52/37/33/807523733.db2.gz IQKZZMXYUCDILB-JCHJZTRSSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258676394 807540201 /nfs/dbraw/zinc/54/02/01/807540201.db2.gz BOHZSEWHDQFBTJ-QWRGUYRKSA-N 2 1 289.250 3.451 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001258689709 807545684 /nfs/dbraw/zinc/54/56/84/807545684.db2.gz IVLYNQATKKPGFW-KLHDSHLOSA-N 2 1 294.483 3.172 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258694048 807549510 /nfs/dbraw/zinc/54/95/10/807549510.db2.gz LFENXKIDYPMABJ-DZGCQCFKSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258694048 807549512 /nfs/dbraw/zinc/54/95/12/807549512.db2.gz LFENXKIDYPMABJ-DZGCQCFKSA-N 2 1 252.446 3.227 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001258701871 807556437 /nfs/dbraw/zinc/55/64/37/807556437.db2.gz NSFZOILDLOKQSP-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)CC(C)(C)C1 ZINC001258704644 807559893 /nfs/dbraw/zinc/55/98/93/807559893.db2.gz SPLRGFMOIVUCNL-GDBMZVCRSA-N 2 1 264.457 3.371 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258705215 807560251 /nfs/dbraw/zinc/56/02/51/807560251.db2.gz VRGHLFSLHKLIFE-WCXIOVBPSA-N 2 1 278.484 3.475 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001258705047 807560547 /nfs/dbraw/zinc/56/05/47/807560547.db2.gz VAGRFBVHGCRHMI-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092853 807571933 /nfs/dbraw/zinc/57/19/33/807571933.db2.gz DDKZTAZXCNQTQZ-FVQHAEBGSA-N 2 1 297.446 3.249 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncccc1C ZINC001169090640 807572054 /nfs/dbraw/zinc/57/20/54/807572054.db2.gz JYSJKXKCPZFKLP-LVQVYYBASA-N 2 1 273.424 3.056 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001169090640 807572057 /nfs/dbraw/zinc/57/20/57/807572057.db2.gz JYSJKXKCPZFKLP-LVQVYYBASA-N 2 1 273.424 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccccc1Cl)C2 ZINC001169093414 807573080 /nfs/dbraw/zinc/57/30/80/807573080.db2.gz GZYSFKNESLGRIP-QDMKHBRRSA-N 2 1 278.827 3.097 20 0 CGADMP CCc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169095361 807573171 /nfs/dbraw/zinc/57/31/71/807573171.db2.gz PZUOQETVKMQEKS-BCDXTJNWSA-N 2 1 272.436 3.006 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C2 ZINC001169096189 807574379 /nfs/dbraw/zinc/57/43/79/807574379.db2.gz VOMWFYICLSZREA-QDMKHBRRSA-N 2 1 280.362 3.339 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1cccc(Cl)c1)C2 ZINC001169101385 807578267 /nfs/dbraw/zinc/57/82/67/807578267.db2.gz SKPVSENWEYDGMN-BJWYYQGGSA-N 2 1 292.854 3.487 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001169112889 807580667 /nfs/dbraw/zinc/58/06/67/807580667.db2.gz ULFVEIIEDFVACV-MUJYYYPQSA-N 2 1 274.383 3.030 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001169112889 807580670 /nfs/dbraw/zinc/58/06/70/807580670.db2.gz ULFVEIIEDFVACV-MUJYYYPQSA-N 2 1 274.383 3.030 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cccc(Cl)c1F)C2 ZINC001169115346 807581260 /nfs/dbraw/zinc/58/12/60/807581260.db2.gz JCARGAMFKZDGKI-BTTYYORXSA-N 2 1 296.817 3.236 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169114964 807581838 /nfs/dbraw/zinc/58/18/38/807581838.db2.gz FVXNWZSCKXPRMF-QDMKHBRRSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169114964 807581845 /nfs/dbraw/zinc/58/18/45/807581845.db2.gz FVXNWZSCKXPRMF-QDMKHBRRSA-N 2 1 288.435 3.145 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C1)C2 ZINC001169119826 807583103 /nfs/dbraw/zinc/58/31/03/807583103.db2.gz WXEPSZMEVSGNLE-TUVASFSCSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2n1 ZINC001169123055 807584033 /nfs/dbraw/zinc/58/40/33/807584033.db2.gz IIFRYXQGPXRCIC-NNZMDNLPSA-N 2 1 295.430 3.258 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC3(CCCC3)C1)C2 ZINC001169129918 807584751 /nfs/dbraw/zinc/58/47/51/807584751.db2.gz MAQWOINLRIPTHS-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC3(CCCC3)C1)C2 ZINC001169129918 807584755 /nfs/dbraw/zinc/58/47/55/807584755.db2.gz MAQWOINLRIPTHS-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC3(CCCC3)C1)C2 ZINC001169129918 807584757 /nfs/dbraw/zinc/58/47/57/807584757.db2.gz MAQWOINLRIPTHS-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169123852 807584814 /nfs/dbraw/zinc/58/48/14/807584814.db2.gz KVKIHOKUWBMKHH-HOCLYGCPSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001169125403 807586079 /nfs/dbraw/zinc/58/60/79/807586079.db2.gz HSYWMASORLTTRP-LLLHUVSDSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001169125403 807586083 /nfs/dbraw/zinc/58/60/83/807586083.db2.gz HSYWMASORLTTRP-LLLHUVSDSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001169125403 807586086 /nfs/dbraw/zinc/58/60/86/807586086.db2.gz HSYWMASORLTTRP-LLLHUVSDSA-N 2 1 270.420 3.231 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccccc1)C2 ZINC001169140199 807588096 /nfs/dbraw/zinc/58/80/96/807588096.db2.gz IUEOHTCMXJGCGZ-MHORFTMASA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1ccccc1)C2 ZINC001169140199 807588098 /nfs/dbraw/zinc/58/80/98/807588098.db2.gz IUEOHTCMXJGCGZ-MHORFTMASA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1ccccc1)C2 ZINC001169140199 807588101 /nfs/dbraw/zinc/58/81/01/807588101.db2.gz IUEOHTCMXJGCGZ-MHORFTMASA-N 2 1 270.420 3.449 20 0 CGADMP Cc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169138648 807588290 /nfs/dbraw/zinc/58/82/90/807588290.db2.gz RXXZFQAUNYSLMN-BBRMVZONSA-N 2 1 261.413 3.346 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258789712 807614679 /nfs/dbraw/zinc/61/46/79/807614679.db2.gz DFHYGASUYVKIAI-LVQVYYBASA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258789712 807614682 /nfs/dbraw/zinc/61/46/82/807614682.db2.gz DFHYGASUYVKIAI-LVQVYYBASA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258789712 807614684 /nfs/dbraw/zinc/61/46/84/807614684.db2.gz DFHYGASUYVKIAI-LVQVYYBASA-N 2 1 252.446 3.085 20 0 CGADMP CC[N@H+](Cc1cccc(F)c1)C1CC[NH+](CC)CC1 ZINC001169264052 807617993 /nfs/dbraw/zinc/61/79/93/807617993.db2.gz DSBMWIITBGZSBE-UHFFFAOYSA-N 2 1 264.388 3.132 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC)CC1 ZINC001169264052 807617996 /nfs/dbraw/zinc/61/79/96/807617996.db2.gz DSBMWIITBGZSBE-UHFFFAOYSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](F)CC1 ZINC001258907661 807672564 /nfs/dbraw/zinc/67/25/64/807672564.db2.gz LYSXZQMWZLZMEO-LSDHHAIUSA-N 2 1 258.425 3.321 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001170087736 807751903 /nfs/dbraw/zinc/75/19/03/807751903.db2.gz KCXUWUUXDSXPIP-ARFHVFGLSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001170116682 807762779 /nfs/dbraw/zinc/76/27/79/807762779.db2.gz FUALETXCQDKPGQ-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001170116682 807762781 /nfs/dbraw/zinc/76/27/81/807762781.db2.gz FUALETXCQDKPGQ-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc(N([C@H]2CC[C@H](C)C2)C2CC[NH2+]CC2)[nH+]1 ZINC001170159212 807780003 /nfs/dbraw/zinc/78/00/03/807780003.db2.gz RFGARVJDHRQOCD-BBRMVZONSA-N 2 1 273.424 3.137 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)o1 ZINC001261787489 807788175 /nfs/dbraw/zinc/78/81/75/807788175.db2.gz QLPMWPDFVUVITB-GXTWGEPZSA-N 2 1 264.413 3.420 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)o1 ZINC001261787489 807788178 /nfs/dbraw/zinc/78/81/78/807788178.db2.gz QLPMWPDFVUVITB-GXTWGEPZSA-N 2 1 264.413 3.420 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C)o1 ZINC001261787491 807788205 /nfs/dbraw/zinc/78/82/05/807788205.db2.gz QLPMWPDFVUVITB-OCCSQVGLSA-N 2 1 264.413 3.420 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)o1 ZINC001261787491 807788209 /nfs/dbraw/zinc/78/82/09/807788209.db2.gz QLPMWPDFVUVITB-OCCSQVGLSA-N 2 1 264.413 3.420 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170192161 807790390 /nfs/dbraw/zinc/79/03/90/807790390.db2.gz JBVKEOVXHCFOBH-VQHPVUNQSA-N 2 1 282.472 3.172 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001262378558 807863467 /nfs/dbraw/zinc/86/34/67/807863467.db2.gz FXDWZHYXPGBBLX-BZSNNMDCSA-N 2 1 272.436 3.157 20 0 CGADMP CCN1CCC([N@@H+](C)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000447 807954954 /nfs/dbraw/zinc/95/49/54/807954954.db2.gz HFLBQTYOQNIUKG-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000447 807954958 /nfs/dbraw/zinc/95/49/58/807954958.db2.gz HFLBQTYOQNIUKG-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171000447 807954960 /nfs/dbraw/zinc/95/49/60/807954960.db2.gz HFLBQTYOQNIUKG-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171405724 808047817 /nfs/dbraw/zinc/04/78/17/808047817.db2.gz XUYFYCVYSNBJAI-WBAXXEDZSA-N 2 1 290.426 3.145 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C2 ZINC001171551994 808092932 /nfs/dbraw/zinc/09/29/32/808092932.db2.gz UAURDROGLYAGNY-AEFFLSMTSA-N 2 1 286.463 3.174 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H]3CCCO[C@H]3C2)CC1(C)C ZINC001171631229 808108386 /nfs/dbraw/zinc/10/83/86/808108386.db2.gz GJNOPDBTJIFMFL-HOCLYGCPSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@]1(C)O ZINC001171631753 808108890 /nfs/dbraw/zinc/10/88/90/808108890.db2.gz NIIGDAKBDWISKR-KDOFPFPSSA-N 2 1 296.499 3.121 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001171665136 808116494 /nfs/dbraw/zinc/11/64/94/808116494.db2.gz KJQLRTAOIGDQMG-MRXNPFEDSA-N 2 1 262.441 3.200 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001171678040 808120302 /nfs/dbraw/zinc/12/03/02/808120302.db2.gz AVOGTFGATNYHCQ-INIZCTEOSA-N 2 1 283.419 3.071 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001171678040 808120307 /nfs/dbraw/zinc/12/03/07/808120307.db2.gz AVOGTFGATNYHCQ-INIZCTEOSA-N 2 1 283.419 3.071 20 0 CGADMP C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079763 808169885 /nfs/dbraw/zinc/16/98/85/808169885.db2.gz QXHZGXDSZZHWGZ-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP Cc1ccccc1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099411 808171803 /nfs/dbraw/zinc/17/18/03/808171803.db2.gz KRERWGIJWDZNME-NNZMDNLPSA-N 2 1 272.436 3.142 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100530 808172397 /nfs/dbraw/zinc/17/23/97/808172397.db2.gz DOWUSDUHXSLLPF-MXASKKJJSA-N 2 1 288.435 3.361 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100530 808172400 /nfs/dbraw/zinc/17/24/00/808172400.db2.gz DOWUSDUHXSLLPF-MXASKKJJSA-N 2 1 288.435 3.361 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098991 808172954 /nfs/dbraw/zinc/17/29/54/808172954.db2.gz HSQFKTZSDLXZLZ-BPKGMFCQSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cccc3F)C2 ZINC001172106503 808176758 /nfs/dbraw/zinc/17/67/58/808176758.db2.gz PPSKXYBXLQOCCK-ZUMXRPEOSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cccc3F)C2 ZINC001172106503 808176763 /nfs/dbraw/zinc/17/67/63/808176763.db2.gz PPSKXYBXLQOCCK-ZUMXRPEOSA-N 2 1 288.410 3.418 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172112476 808178211 /nfs/dbraw/zinc/17/82/11/808178211.db2.gz XMYJTQSIBZBYHS-JHJNDJDLSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172112476 808178214 /nfs/dbraw/zinc/17/82/14/808178214.db2.gz XMYJTQSIBZBYHS-JHJNDJDLSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccccc3)C1)C2 ZINC001172121678 808184386 /nfs/dbraw/zinc/18/43/86/808184386.db2.gz SJNDHADPKSIBFW-INDMIFKZSA-N 2 1 284.447 3.491 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccccc3)C1)C2 ZINC001172121678 808184388 /nfs/dbraw/zinc/18/43/88/808184388.db2.gz SJNDHADPKSIBFW-INDMIFKZSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC001172121678 808184390 /nfs/dbraw/zinc/18/43/90/808184390.db2.gz SJNDHADPKSIBFW-INDMIFKZSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC001172121678 808184392 /nfs/dbraw/zinc/18/43/92/808184392.db2.gz SJNDHADPKSIBFW-INDMIFKZSA-N 2 1 284.447 3.491 20 0 CGADMP CCC(CC)[N@H+](C1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172220571 808201130 /nfs/dbraw/zinc/20/11/30/808201130.db2.gz GXUDOIKZTSKLOS-MHDJUUOISA-N 2 1 294.483 3.457 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172279062 808212075 /nfs/dbraw/zinc/21/20/75/808212075.db2.gz BETIBLFFJXJXJW-FVQBIDKESA-N 2 1 282.472 3.314 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001172321594 808230635 /nfs/dbraw/zinc/23/06/35/808230635.db2.gz MBEJRQQSPHPHSG-CVEARBPZSA-N 2 1 278.440 3.041 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](CCN)Cc1ccccc1 ZINC001172321594 808230639 /nfs/dbraw/zinc/23/06/39/808230639.db2.gz MBEJRQQSPHPHSG-CVEARBPZSA-N 2 1 278.440 3.041 20 0 CGADMP CC(C)OCC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172439353 808315799 /nfs/dbraw/zinc/31/57/99/808315799.db2.gz CZFBIAJCSPCAHE-MRXNPFEDSA-N 2 1 282.472 3.140 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)CCOCC(C)C ZINC001172457180 808328114 /nfs/dbraw/zinc/32/81/14/808328114.db2.gz MBJBFWVYOIWFEZ-MRXNPFEDSA-N 2 1 272.477 3.149 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)CCOCC(C)C ZINC001172457180 808328121 /nfs/dbraw/zinc/32/81/21/808328121.db2.gz MBJBFWVYOIWFEZ-MRXNPFEDSA-N 2 1 272.477 3.149 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCOCC(C)C ZINC001172482429 808344435 /nfs/dbraw/zinc/34/44/35/808344435.db2.gz YSBDBJPVRMYFGG-INIZCTEOSA-N 2 1 272.477 3.101 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545492 808375206 /nfs/dbraw/zinc/37/52/06/808375206.db2.gz CEEVNSVOZCPNAE-IAGOWNOFSA-N 2 1 260.425 3.382 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172644272 808406237 /nfs/dbraw/zinc/40/62/37/808406237.db2.gz LZLVQRQVSJTKKK-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172643731 808406664 /nfs/dbraw/zinc/40/66/64/808406664.db2.gz ALNNLLDUWANQSE-CQSZACIVSA-N 2 1 282.472 3.044 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC(F)(F)[C@H](F)C2)CC1 ZINC001173110790 808513037 /nfs/dbraw/zinc/51/30/37/808513037.db2.gz XTUXZEKRKZEITN-JXQTWKCFSA-N 2 1 292.389 3.319 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001173110344 808513178 /nfs/dbraw/zinc/51/31/78/808513178.db2.gz RVEVRJIGFSSACZ-SSHXOBKSSA-N 2 1 288.426 3.411 20 0 CGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001173114620 808513935 /nfs/dbraw/zinc/51/39/35/808513935.db2.gz BVCWMJLSRQWWON-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCC2CC2)CC1 ZINC001173113120 808514035 /nfs/dbraw/zinc/51/40/35/808514035.db2.gz JFVCUVKBYKMAJC-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CCc1ccc(C[C@H](C)[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001173248302 808554605 /nfs/dbraw/zinc/55/46/05/808554605.db2.gz UBAVKHPNKCKUDT-INIZCTEOSA-N 2 1 286.463 3.350 20 0 CGADMP CC[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)C1 ZINC001173288559 808588811 /nfs/dbraw/zinc/58/88/11/808588811.db2.gz NNGHIBYERAICQA-BPQIPLTHSA-N 2 1 294.483 3.140 20 0 CGADMP CCSC[C@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001173304201 808602417 /nfs/dbraw/zinc/60/24/17/808602417.db2.gz GBIGFKPMWGTHPX-HOTGVXAUSA-N 2 1 284.513 3.468 20 0 CGADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001173339531 808619572 /nfs/dbraw/zinc/61/95/72/808619572.db2.gz NZVMMHZSOCBQKT-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3CC=CCC3)C2)C1 ZINC001275040629 808899888 /nfs/dbraw/zinc/89/98/88/808899888.db2.gz OYQFLKJWUJJLRL-DLBZAZTESA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001275040629 808899893 /nfs/dbraw/zinc/89/98/93/808899893.db2.gz OYQFLKJWUJJLRL-DLBZAZTESA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001275040629 808899899 /nfs/dbraw/zinc/89/98/99/808899899.db2.gz OYQFLKJWUJJLRL-DLBZAZTESA-N 2 1 262.441 3.151 20 0 CGADMP CC(C)(C)CC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275151802 808917317 /nfs/dbraw/zinc/91/73/17/808917317.db2.gz PWRNOCSIISYARR-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)(C)CC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275151802 808917322 /nfs/dbraw/zinc/91/73/22/808917322.db2.gz PWRNOCSIISYARR-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP c1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccco2)CC3)c1 ZINC001275236724 808922174 /nfs/dbraw/zinc/92/21/74/808922174.db2.gz YXRMXWDRGJVYTI-UHFFFAOYSA-N 2 1 299.418 3.096 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(F)cc1F ZINC001275566840 808948689 /nfs/dbraw/zinc/94/86/89/808948689.db2.gz WLZAXDKDUJCUGB-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP Cc1cc(O)cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275593756 808951052 /nfs/dbraw/zinc/95/10/52/808951052.db2.gz GPMBAZOYSDENEA-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(O)cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275593756 808951059 /nfs/dbraw/zinc/95/10/59/808951059.db2.gz GPMBAZOYSDENEA-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(O)cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275593756 808951067 /nfs/dbraw/zinc/95/10/67/808951067.db2.gz GPMBAZOYSDENEA-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1cc(O)cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275593756 808951075 /nfs/dbraw/zinc/95/10/75/808951075.db2.gz GPMBAZOYSDENEA-SFHVURJKSA-N 2 1 288.435 3.008 20 0 CGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001275873770 808972425 /nfs/dbraw/zinc/97/24/25/808972425.db2.gz PKDDXVMISLGGKH-UHFFFAOYSA-N 2 1 299.462 3.312 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(O)cc3Cl)(C1)CCC2 ZINC001275931063 808977586 /nfs/dbraw/zinc/97/75/86/808977586.db2.gz GBDIYQUZALDUGV-JKSUJKDBSA-N 2 1 294.826 3.200 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276035613 808985966 /nfs/dbraw/zinc/98/59/66/808985966.db2.gz WYPZOBOORSMKTM-WBVHZDCISA-N 2 1 284.447 3.122 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3nccc4ccccc43)C[C@H]2CC1 ZINC001276610884 809021124 /nfs/dbraw/zinc/02/11/24/809021124.db2.gz VWLACWGBKZXRNT-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3nccc4ccccc43)C[C@H]2CC1 ZINC001276610884 809021130 /nfs/dbraw/zinc/02/11/30/809021130.db2.gz VWLACWGBKZXRNT-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3nccc4ccccc43)C[C@H]2CC1 ZINC001276610884 809021138 /nfs/dbraw/zinc/02/11/38/809021138.db2.gz VWLACWGBKZXRNT-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1cccc(CC[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276739362 809028235 /nfs/dbraw/zinc/02/82/35/809028235.db2.gz ROMKGRLBNAHQQG-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276739362 809028242 /nfs/dbraw/zinc/02/82/42/809028242.db2.gz ROMKGRLBNAHQQG-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CC[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276739362 809028249 /nfs/dbraw/zinc/02/82/49/809028249.db2.gz ROMKGRLBNAHQQG-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1csc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001276776854 809030420 /nfs/dbraw/zinc/03/04/20/809030420.db2.gz DYNBYCKXIOODOG-UHFFFAOYSA-N 2 1 278.465 3.364 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3occc31)CC2 ZINC001276790311 809031351 /nfs/dbraw/zinc/03/13/51/809031351.db2.gz PPJSUYPMKWMHJL-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cccc(C)c12 ZINC001276839728 809035419 /nfs/dbraw/zinc/03/54/19/809035419.db2.gz DCXXZEHFPDDVPL-MQVJKMGUSA-N 2 1 283.419 3.191 20 0 CGADMP Cc1c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)ccc(F)c1F ZINC001276845302 809037591 /nfs/dbraw/zinc/03/75/91/809037591.db2.gz JLUYDOJGTBVWND-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP Cc1ccc(C)c(Nc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001174815515 809169664 /nfs/dbraw/zinc/16/96/64/809169664.db2.gz JXPWNIYXWRACKP-UHFFFAOYSA-N 2 1 296.418 3.194 20 0 CGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC[C@H](C)C1 ZINC001175203477 809307138 /nfs/dbraw/zinc/30/71/38/809307138.db2.gz OQHFUBRKWMOSIA-WMZOPIPTSA-N 2 1 296.499 3.103 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(Nc2cc(C)[nH+]c(C)c2)cc1 ZINC001176055321 809609511 /nfs/dbraw/zinc/60/95/11/809609511.db2.gz DJNYZRMCPVGYOH-UHFFFAOYSA-N 2 1 278.359 3.358 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176629645 809734536 /nfs/dbraw/zinc/73/45/36/809734536.db2.gz PMYOXJUTEGPPCR-OIISXLGYSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176629645 809734541 /nfs/dbraw/zinc/73/45/41/809734541.db2.gz PMYOXJUTEGPPCR-OIISXLGYSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001176629645 809734546 /nfs/dbraw/zinc/73/45/46/809734546.db2.gz PMYOXJUTEGPPCR-OIISXLGYSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001176629645 809734549 /nfs/dbraw/zinc/73/45/49/809734549.db2.gz PMYOXJUTEGPPCR-OIISXLGYSA-N 2 1 276.399 3.160 20 0 CGADMP CCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC001177541773 809807188 /nfs/dbraw/zinc/80/71/88/809807188.db2.gz CCNWYXYLTYQIKC-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179637046 809933633 /nfs/dbraw/zinc/93/36/33/809933633.db2.gz RFKQWMGWILOVLK-NVXWUHKLSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2Cc2ccccc2)CC1(C)C ZINC001179800662 809946373 /nfs/dbraw/zinc/94/63/73/809946373.db2.gz WVIJKNVKXLNKHS-BZSNNMDCSA-N 2 1 286.463 3.328 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4ccccc4s3)[C@@H]2C1 ZINC001179817672 809948283 /nfs/dbraw/zinc/94/82/83/809948283.db2.gz RHWREYAXVVBKSA-NUEKZKHPSA-N 2 1 286.444 3.331 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(C)(c4ccccc4)C3)[C@H]2C1 ZINC001184388759 810196614 /nfs/dbraw/zinc/19/66/14/810196614.db2.gz SQXQSLGUWNLLSK-HPNWABTKSA-N 2 1 284.447 3.037 20 0 CGADMP CCCC[N@@H+](C[C@@H](O)C1CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544778 811351595 /nfs/dbraw/zinc/35/15/95/811351595.db2.gz IJMVRDIPMAIDNC-MRXNPFEDSA-N 2 1 296.499 3.169 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](Cc3ccc(C(F)F)cc3)C[C@@]2(C)C1 ZINC001196632599 811356573 /nfs/dbraw/zinc/35/65/73/811356573.db2.gz UIFQZMBGSLHVRP-IAGOWNOFSA-N 2 1 294.389 3.398 20 0 CGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC001200244855 811651992 /nfs/dbraw/zinc/65/19/92/811651992.db2.gz ZWBHAKJRJPMJJS-HNNXBMFYSA-N 2 1 294.414 3.044 20 0 CGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1F ZINC001200244855 811651995 /nfs/dbraw/zinc/65/19/95/811651995.db2.gz ZWBHAKJRJPMJJS-HNNXBMFYSA-N 2 1 294.414 3.044 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C ZINC001200254821 811655015 /nfs/dbraw/zinc/65/50/15/811655015.db2.gz JZUIAHJYFHDPIK-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C ZINC001200254821 811655021 /nfs/dbraw/zinc/65/50/21/811655021.db2.gz JZUIAHJYFHDPIK-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1nc(C)c(C[NH2+]CCC[NH+](C(C)C)C(C)C)s1 ZINC001200923911 811768746 /nfs/dbraw/zinc/76/87/46/811768746.db2.gz VTAHBCIBSFLKPC-UHFFFAOYSA-N 2 1 283.485 3.358 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201510318 811875522 /nfs/dbraw/zinc/87/55/22/811875522.db2.gz ZPFCLAQXBSGILF-ZNMIVQPWSA-N 2 1 293.480 3.085 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201672351 811934640 /nfs/dbraw/zinc/93/46/40/811934640.db2.gz VNBZOXOMSZHGBY-UHFFFAOYSA-N 2 1 260.425 3.035 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201672351 811934649 /nfs/dbraw/zinc/93/46/49/811934649.db2.gz VNBZOXOMSZHGBY-UHFFFAOYSA-N 2 1 260.425 3.035 20 0 CGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CC4)CC[C@H]3C2)cc1 ZINC001201976773 811988114 /nfs/dbraw/zinc/98/81/14/811988114.db2.gz PEGTULWNAOWXIQ-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CC4)CC[C@H]3C2)cc1 ZINC001201976773 811988118 /nfs/dbraw/zinc/98/81/18/811988118.db2.gz PEGTULWNAOWXIQ-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CC4)CC[C@H]3C2)cc1 ZINC001201976773 811988121 /nfs/dbraw/zinc/98/81/21/811988121.db2.gz PEGTULWNAOWXIQ-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC001202610760 812135388 /nfs/dbraw/zinc/13/53/88/812135388.db2.gz BHFDYGQIDIEZSN-BZUAXINKSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC001202610760 812135395 /nfs/dbraw/zinc/13/53/95/812135395.db2.gz BHFDYGQIDIEZSN-BZUAXINKSA-N 2 1 270.461 3.044 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](CC4CCC4)C[C@@H]3C2)cc1 ZINC001202775244 812171049 /nfs/dbraw/zinc/17/10/49/812171049.db2.gz AURLBNKVPZCGNG-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](CC4CCC4)C[C@@H]3C2)cc1 ZINC001202775244 812171057 /nfs/dbraw/zinc/17/10/57/812171057.db2.gz AURLBNKVPZCGNG-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CC4CCC4)C[C@@H]3C2)cc1 ZINC001202775244 812171062 /nfs/dbraw/zinc/17/10/62/812171062.db2.gz AURLBNKVPZCGNG-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4c(c3)CCC4)C2)CC1 ZINC001203033758 812221970 /nfs/dbraw/zinc/22/19/70/812221970.db2.gz CGXHBQHEZCGMBN-UHFFFAOYSA-N 2 1 284.447 3.093 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2NCC)C1 ZINC001204163754 812559959 /nfs/dbraw/zinc/55/99/59/812559959.db2.gz UAWIXRUBOZHXLW-INIZCTEOSA-N 2 1 289.467 3.282 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2NCC)C1 ZINC001204163754 812559965 /nfs/dbraw/zinc/55/99/65/812559965.db2.gz UAWIXRUBOZHXLW-INIZCTEOSA-N 2 1 289.467 3.282 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2NCC)C1 ZINC001204163754 812559970 /nfs/dbraw/zinc/55/99/70/812559970.db2.gz UAWIXRUBOZHXLW-INIZCTEOSA-N 2 1 289.467 3.282 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2NCC)C1 ZINC001204163754 812559975 /nfs/dbraw/zinc/55/99/75/812559975.db2.gz UAWIXRUBOZHXLW-INIZCTEOSA-N 2 1 289.467 3.282 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204396524 812629748 /nfs/dbraw/zinc/62/97/48/812629748.db2.gz PSKNKSQITSADKB-SJORKVTESA-N 2 1 286.463 3.368 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204396524 812629751 /nfs/dbraw/zinc/62/97/51/812629751.db2.gz PSKNKSQITSADKB-SJORKVTESA-N 2 1 286.463 3.368 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204396524 812629757 /nfs/dbraw/zinc/62/97/57/812629757.db2.gz PSKNKSQITSADKB-SJORKVTESA-N 2 1 286.463 3.368 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@H]2C1 ZINC001204506445 812658906 /nfs/dbraw/zinc/65/89/06/812658906.db2.gz CLCSFPMGYFDPGM-IAGOWNOFSA-N 2 1 295.430 3.008 20 0 CGADMP CCCC[N@@H+](CC)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204611150 812689829 /nfs/dbraw/zinc/68/98/29/812689829.db2.gz BFJLKWGNGJCPKE-UHFFFAOYSA-N 2 1 285.435 3.367 20 0 CGADMP COc1ccc(-c2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)cc1 ZINC001204660596 812703173 /nfs/dbraw/zinc/70/31/73/812703173.db2.gz DMKDTWNEXCFUEF-UHFFFAOYSA-N 2 1 296.414 3.158 20 0 CGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[NH2+]CC3)c2)cc1 ZINC001204660596 812703177 /nfs/dbraw/zinc/70/31/77/812703177.db2.gz DMKDTWNEXCFUEF-UHFFFAOYSA-N 2 1 296.414 3.158 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c[nH]c2c1 ZINC001204735141 812719734 /nfs/dbraw/zinc/71/97/34/812719734.db2.gz LHKGKRKOSAOCQL-UHFFFAOYSA-N 2 1 297.446 3.442 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735219 812720628 /nfs/dbraw/zinc/72/06/28/812720628.db2.gz OUKBNCUAWKPKCM-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP Clc1sccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742379 812724378 /nfs/dbraw/zinc/72/43/78/812724378.db2.gz MIJCTEBIHOFYMG-UHFFFAOYSA-N 2 1 284.856 3.367 20 0 CGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204764378 812728803 /nfs/dbraw/zinc/72/88/03/812728803.db2.gz YFTIDNLKGHNJLM-FUHWJXTLSA-N 2 1 294.483 3.077 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204937368 812784742 /nfs/dbraw/zinc/78/47/42/812784742.db2.gz COFKETNTYDAGGP-WBVHZDCISA-N 2 1 284.488 3.421 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC001204937354 812785510 /nfs/dbraw/zinc/78/55/10/812785510.db2.gz CLYXCIDFWDNDCV-KRWDZBQOSA-N 2 1 254.377 3.153 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001204937354 812785519 /nfs/dbraw/zinc/78/55/19/812785519.db2.gz CLYXCIDFWDNDCV-KRWDZBQOSA-N 2 1 254.377 3.153 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001204940270 812788278 /nfs/dbraw/zinc/78/82/78/812788278.db2.gz XBEICXXUGFDWLC-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001204940270 812788280 /nfs/dbraw/zinc/78/82/80/812788280.db2.gz XBEICXXUGFDWLC-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001205009400 812823370 /nfs/dbraw/zinc/82/33/70/812823370.db2.gz QMNDAAWLRYGXOY-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001205009400 812823382 /nfs/dbraw/zinc/82/33/82/812823382.db2.gz QMNDAAWLRYGXOY-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001205016293 812826462 /nfs/dbraw/zinc/82/64/62/812826462.db2.gz IGBQYGIYGHDQIQ-CQSZACIVSA-N 2 1 274.433 3.333 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001205016293 812826471 /nfs/dbraw/zinc/82/64/71/812826471.db2.gz IGBQYGIYGHDQIQ-CQSZACIVSA-N 2 1 274.433 3.333 20 0 CGADMP COC(=O)CCCCCCCCC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064279 812842814 /nfs/dbraw/zinc/84/28/14/812842814.db2.gz MBYAEWCIFNEPEC-HOTGVXAUSA-N 2 1 298.471 3.092 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064279 812842823 /nfs/dbraw/zinc/84/28/23/812842823.db2.gz MBYAEWCIFNEPEC-HOTGVXAUSA-N 2 1 298.471 3.092 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205075767 812849787 /nfs/dbraw/zinc/84/97/87/812849787.db2.gz MFBRZMIYYQMBAO-YOEHRIQHSA-N 2 1 260.425 3.197 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205075767 812849794 /nfs/dbraw/zinc/84/97/94/812849794.db2.gz MFBRZMIYYQMBAO-YOEHRIQHSA-N 2 1 260.425 3.197 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001205095185 812860791 /nfs/dbraw/zinc/86/07/91/812860791.db2.gz UYZGTSDXKLXIMW-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205109722 812870745 /nfs/dbraw/zinc/87/07/45/812870745.db2.gz KAFJIHWBCHZEBK-CQSZACIVSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205109722 812870751 /nfs/dbraw/zinc/87/07/51/812870751.db2.gz KAFJIHWBCHZEBK-CQSZACIVSA-N 2 1 286.341 3.327 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)s2)CC1 ZINC001205110295 812871826 /nfs/dbraw/zinc/87/18/26/812871826.db2.gz QXGFGLKUVZSNBC-CYBMUJFWSA-N 2 1 287.432 3.123 20 0 CGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124015 812877023 /nfs/dbraw/zinc/87/70/23/812877023.db2.gz ISRMKDXMCGGYCO-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124015 812877032 /nfs/dbraw/zinc/87/70/32/812877032.db2.gz ISRMKDXMCGGYCO-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001205124204 812877102 /nfs/dbraw/zinc/87/71/02/812877102.db2.gz LKIXLYWRDVHWGC-HNNXBMFYSA-N 2 1 299.393 3.201 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205146388 812886576 /nfs/dbraw/zinc/88/65/76/812886576.db2.gz TWJSOOWHDVACNY-HNAYVOBHSA-N 2 1 280.415 3.380 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001205171470 812896799 /nfs/dbraw/zinc/89/67/99/812896799.db2.gz TUBFSMSJFJITAI-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001205171470 812896805 /nfs/dbraw/zinc/89/68/05/812896805.db2.gz TUBFSMSJFJITAI-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001205257458 812918645 /nfs/dbraw/zinc/91/86/45/812918645.db2.gz VOFSQWIKHMHOIC-XHSDSOJGSA-N 2 1 250.430 3.182 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCCOCc2ccccc2)CC1 ZINC001205257220 812918660 /nfs/dbraw/zinc/91/86/60/812918660.db2.gz UERVBXYJASQTCX-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)c1C ZINC001205264089 812922447 /nfs/dbraw/zinc/92/24/47/812922447.db2.gz HPLKQLULURKEEZ-GOSISDBHSA-N 2 1 290.451 3.324 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001205273706 812925940 /nfs/dbraw/zinc/92/59/40/812925940.db2.gz PEQIRGHSHDUNHX-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP COc1c(Cl)cccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274676 812926249 /nfs/dbraw/zinc/92/62/49/812926249.db2.gz ZWHOVLQUXDTQIH-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274676 812926253 /nfs/dbraw/zinc/92/62/53/812926253.db2.gz ZWHOVLQUXDTQIH-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc21 ZINC001205303623 812941898 /nfs/dbraw/zinc/94/18/98/812941898.db2.gz ISYKQICAVKUDSE-PBHICJAKSA-N 2 1 285.435 3.078 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205303613 812941992 /nfs/dbraw/zinc/94/19/92/812941992.db2.gz IPEVLPYCMVUCSR-RISCZKNCSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205303613 812941995 /nfs/dbraw/zinc/94/19/95/812941995.db2.gz IPEVLPYCMVUCSR-RISCZKNCSA-N 2 1 266.816 3.065 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C[C@H]1C[NH3+] ZINC001205303569 812942161 /nfs/dbraw/zinc/94/21/61/812942161.db2.gz IAWXEUUWLGHXCM-WCQYABFASA-N 2 1 291.826 3.238 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205317959 812951252 /nfs/dbraw/zinc/95/12/52/812951252.db2.gz QZOCATYMQAAKAD-OCCSQVGLSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205317959 812951258 /nfs/dbraw/zinc/95/12/58/812951258.db2.gz QZOCATYMQAAKAD-OCCSQVGLSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Cl ZINC001205545406 812999912 /nfs/dbraw/zinc/99/99/12/812999912.db2.gz GPWDESGPEAOEOM-ZDUSSCGKSA-N 2 1 290.835 3.363 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205571913 813007584 /nfs/dbraw/zinc/00/75/84/813007584.db2.gz ZHPVYKJQIWDFSE-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570139 813007649 /nfs/dbraw/zinc/00/76/49/813007649.db2.gz GIIHCWVGXSCJRN-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205591040 813015283 /nfs/dbraw/zinc/01/52/83/813015283.db2.gz BZEXOXZTDCQNDF-KRWDZBQOSA-N 2 1 294.414 3.047 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205601356 813018132 /nfs/dbraw/zinc/01/81/32/813018132.db2.gz DTVFJGMQAREDPX-AAEUAGOBSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC2CCCC2)CC[C@H]1C[NH3+] ZINC001205603566 813018889 /nfs/dbraw/zinc/01/88/89/813018889.db2.gz QIESCHOVPFRPEN-ZBFHGGJFSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2sccc2Cl)CC[C@H]1C[NH3+] ZINC001205602563 813020313 /nfs/dbraw/zinc/02/03/13/813020313.db2.gz JSCLOHPLBDMXHK-MNOVXSKESA-N 2 1 272.845 3.208 20 0 CGADMP C[C@H]1CC[N@@H+](CCCC2CCCC2)CC[C@@H]1C[NH3+] ZINC001205603564 813020326 /nfs/dbraw/zinc/02/03/26/813020326.db2.gz QIESCHOVPFRPEN-GOEBONIOSA-N 2 1 252.446 3.264 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1C ZINC001205605020 813021723 /nfs/dbraw/zinc/02/17/23/813021723.db2.gz YOFUXULYKAVFKN-GOEBONIOSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205616591 813025814 /nfs/dbraw/zinc/02/58/14/813025814.db2.gz GJCDLWAKGRDBBW-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)CC[C@@H]1C[NH3+] ZINC001205618626 813028797 /nfs/dbraw/zinc/02/87/97/813028797.db2.gz XUPDWHBBLWVTJT-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)CC[C@@H]1C[NH3+] ZINC001205617872 813029240 /nfs/dbraw/zinc/02/92/40/813029240.db2.gz OSTRJCYMHHJRMM-CZUORRHYSA-N 2 1 272.392 3.240 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1F ZINC001205638737 813037912 /nfs/dbraw/zinc/03/79/12/813037912.db2.gz RLBVLDNSGTUGOG-FZMZJTMJSA-N 2 1 282.378 3.080 20 0 CGADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1C ZINC001205651405 813041685 /nfs/dbraw/zinc/04/16/85/813041685.db2.gz DVGQCCVILRWQEM-PBHICJAKSA-N 2 1 290.451 3.201 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cnc1C1CC1 ZINC001205651938 813042022 /nfs/dbraw/zinc/04/20/22/813042022.db2.gz MDTSSJTVKVSQIS-DYVFJYSZSA-N 2 1 287.451 3.074 20 0 CGADMP CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1C ZINC001205651407 813042701 /nfs/dbraw/zinc/04/27/01/813042701.db2.gz DVGQCCVILRWQEM-WMLDXEAASA-N 2 1 290.451 3.201 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](OC)C1CCCCC1 ZINC001205695966 813053755 /nfs/dbraw/zinc/05/37/55/813053755.db2.gz CMMWLZJPTTWBJN-QGZVFWFLSA-N 2 1 284.488 3.245 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)CCC1(F)F ZINC001205760610 813069197 /nfs/dbraw/zinc/06/91/97/813069197.db2.gz CNYJOGXGLMJIDC-MRXNPFEDSA-N 2 1 290.357 3.256 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCC1(F)F ZINC001205760610 813069203 /nfs/dbraw/zinc/06/92/03/813069203.db2.gz CNYJOGXGLMJIDC-MRXNPFEDSA-N 2 1 290.357 3.256 20 0 CGADMP COc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(C)c1C ZINC001205816298 813094292 /nfs/dbraw/zinc/09/42/92/813094292.db2.gz LLBCYAUMDYDEQJ-LRDDRELGSA-N 2 1 290.451 3.180 20 0 CGADMP COc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(C)c1C ZINC001205816298 813094297 /nfs/dbraw/zinc/09/42/97/813094297.db2.gz LLBCYAUMDYDEQJ-LRDDRELGSA-N 2 1 290.451 3.180 20 0 CGADMP CCn1ccc2c1cccc2CN1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205817454 813095373 /nfs/dbraw/zinc/09/53/73/813095373.db2.gz QNLRMDSSWIFWMC-HOCLYGCPSA-N 2 1 285.435 3.220 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205817454 813095382 /nfs/dbraw/zinc/09/53/82/813095382.db2.gz QNLRMDSSWIFWMC-HOCLYGCPSA-N 2 1 285.435 3.220 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205817454 813095385 /nfs/dbraw/zinc/09/53/85/813095385.db2.gz QNLRMDSSWIFWMC-HOCLYGCPSA-N 2 1 285.435 3.220 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2csc3ccccc23)C1 ZINC001205828198 813100738 /nfs/dbraw/zinc/10/07/38/813100738.db2.gz KAZDELSMWMKSNR-TZMCWYRMSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2csc3ccccc23)C1 ZINC001205828198 813100740 /nfs/dbraw/zinc/10/07/40/813100740.db2.gz KAZDELSMWMKSNR-TZMCWYRMSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cccc2n1 ZINC001205855881 813109751 /nfs/dbraw/zinc/10/97/51/813109751.db2.gz QFPABTOUMHCLOC-CZUORRHYSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cccc2n1 ZINC001205855881 813109756 /nfs/dbraw/zinc/10/97/56/813109756.db2.gz QFPABTOUMHCLOC-CZUORRHYSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)[nH]c2ccccc21 ZINC001205902072 813123917 /nfs/dbraw/zinc/12/39/17/813123917.db2.gz HQDJELNHDDLTTI-NWDGAFQWSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccncc2)cc1 ZINC001205903285 813125124 /nfs/dbraw/zinc/12/51/24/813125124.db2.gz NZCGQXOQXMOROU-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2ccc(Cl)cc12 ZINC001205903322 813125229 /nfs/dbraw/zinc/12/52/29/813125229.db2.gz OLZCHUBYXDYDPO-NWDGAFQWSA-N 2 1 291.826 3.381 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205904519 813125875 /nfs/dbraw/zinc/12/58/75/813125875.db2.gz VSTXOYVAANXKOO-PBHICJAKSA-N 2 1 260.425 3.369 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCC1CCCCC1 ZINC001205904742 813128258 /nfs/dbraw/zinc/12/82/58/813128258.db2.gz XCBYCVYGUIFEIL-HOCLYGCPSA-N 2 1 252.446 3.406 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001205922785 813133821 /nfs/dbraw/zinc/13/38/21/813133821.db2.gz ALZARNKHVGJLQJ-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001205922785 813133825 /nfs/dbraw/zinc/13/38/25/813133825.db2.gz ALZARNKHVGJLQJ-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923037 813135301 /nfs/dbraw/zinc/13/53/01/813135301.db2.gz GYDFSWVJZRQTHX-JKSUJKDBSA-N 2 1 290.451 3.341 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001205923185 813135653 /nfs/dbraw/zinc/13/56/53/813135653.db2.gz KMPUSFKBWGXGEX-DOMZBBRYSA-N 2 1 276.399 3.262 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205930642 813138012 /nfs/dbraw/zinc/13/80/12/813138012.db2.gz BULJCEPQUZZYSX-QGZVFWFLSA-N 2 1 260.425 3.198 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205930642 813138013 /nfs/dbraw/zinc/13/80/13/813138013.db2.gz BULJCEPQUZZYSX-QGZVFWFLSA-N 2 1 260.425 3.198 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)CCC[C@H]1C[NH3+] ZINC001205981849 813151372 /nfs/dbraw/zinc/15/13/72/813151372.db2.gz HWZMWTIWDPYCJR-ZBFHGGJFSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@@H]1C[N@@H+](CC2(C)CCCCC2)CCC[C@@H]1C[NH3+] ZINC001205981706 813151655 /nfs/dbraw/zinc/15/16/55/813151655.db2.gz FTYKLOFHIGVREL-HUUCEWRRSA-N 2 1 252.446 3.264 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001205984645 813152743 /nfs/dbraw/zinc/15/27/43/813152743.db2.gz SXJWBZIDDNMAKY-HOTGVXAUSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC001205994376 813157153 /nfs/dbraw/zinc/15/71/53/813157153.db2.gz LEFAREHYUHZEFD-GOEBONIOSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205994685 813157414 /nfs/dbraw/zinc/15/74/14/813157414.db2.gz LVJJIANVBFXLLR-DZGCQCFKSA-N 2 1 285.435 3.283 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206024393 813169390 /nfs/dbraw/zinc/16/93/90/813169390.db2.gz JIVBGOXWFYHIJX-DZGCQCFKSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206027926 813170079 /nfs/dbraw/zinc/17/00/79/813170079.db2.gz XFMRDJAEWKPYNY-LSDHHAIUSA-N 2 1 278.415 3.249 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c3cc[nH]c32)CCC[C@H]1C[NH3+] ZINC001206036512 813175461 /nfs/dbraw/zinc/17/54/61/813175461.db2.gz KMPAYUAHLKDGNV-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)CCC[C@@H]1C ZINC001206109757 813203228 /nfs/dbraw/zinc/20/32/28/813203228.db2.gz GNUGILWQMVRRTB-GJZGRUSLSA-N 2 1 272.436 3.200 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CCCc2cccc(Cl)c2)CC[C@@H]1F ZINC001206155877 813216098 /nfs/dbraw/zinc/21/60/98/813216098.db2.gz MWBFMPITNSVSLN-LSDHHAIUSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2cccc(Cl)c2)CC[C@@H]1F ZINC001206155877 813216102 /nfs/dbraw/zinc/21/61/02/813216102.db2.gz MWBFMPITNSVSLN-LSDHHAIUSA-N 2 1 284.806 3.034 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154166 813216438 /nfs/dbraw/zinc/21/64/38/813216438.db2.gz HDVDKYPBQCPJID-CGXNLCPXSA-N 2 1 256.409 3.274 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154166 813216443 /nfs/dbraw/zinc/21/64/43/813216443.db2.gz HDVDKYPBQCPJID-CGXNLCPXSA-N 2 1 256.409 3.274 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206163216 813219757 /nfs/dbraw/zinc/21/97/57/813219757.db2.gz ASGKQBZZZGFTAO-DLBZAZTESA-N 2 1 294.414 3.127 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1OC(C)C ZINC001206183724 813230425 /nfs/dbraw/zinc/23/04/25/813230425.db2.gz HADFOTBWPFDDPS-HZPDHXFCSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1OC(C)C ZINC001206183724 813230430 /nfs/dbraw/zinc/23/04/30/813230430.db2.gz HADFOTBWPFDDPS-HZPDHXFCSA-N 2 1 294.414 3.043 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001206262660 813261814 /nfs/dbraw/zinc/26/18/14/813261814.db2.gz DCPSMZPVLAVVFN-HNNXBMFYSA-N 2 1 297.446 3.090 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001206262660 813261819 /nfs/dbraw/zinc/26/18/19/813261819.db2.gz DCPSMZPVLAVVFN-HNNXBMFYSA-N 2 1 297.446 3.090 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206262675 813262350 /nfs/dbraw/zinc/26/23/50/813262350.db2.gz DPNIAAYQZGXAIZ-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206262675 813262356 /nfs/dbraw/zinc/26/23/56/813262356.db2.gz DPNIAAYQZGXAIZ-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)cc2)o1 ZINC001206277550 813268807 /nfs/dbraw/zinc/26/88/07/813268807.db2.gz UMVIVXPTJCXGTE-CQSZACIVSA-N 2 1 284.403 3.296 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)cc2)o1 ZINC001206277550 813268812 /nfs/dbraw/zinc/26/88/12/813268812.db2.gz UMVIVXPTJCXGTE-CQSZACIVSA-N 2 1 284.403 3.296 20 0 CGADMP COc1ccc(CCC[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206294029 813274723 /nfs/dbraw/zinc/27/47/23/813274723.db2.gz IOSYBJZSGLLRJL-SFHVURJKSA-N 2 1 290.451 3.079 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206292466 813274942 /nfs/dbraw/zinc/27/49/42/813274942.db2.gz BKAPMJNXGMJQRZ-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CC2(c3ccccc3)CC2)CC1 ZINC001206292496 813275064 /nfs/dbraw/zinc/27/50/64/813275064.db2.gz CBFREHSEJXPDRA-KRWDZBQOSA-N 2 1 272.436 3.169 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001206292437 813275179 /nfs/dbraw/zinc/27/51/79/813275179.db2.gz ANSCCLZKZVVHSW-KRWDZBQOSA-N 2 1 260.425 3.070 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2ccc(F)cc2Cl)CC1 ZINC001206295727 813276967 /nfs/dbraw/zinc/27/69/67/813276967.db2.gz NCLLNWREKFYGSR-MRXNPFEDSA-N 2 1 298.833 3.473 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@](F)(C[NH3+])C2)o1 ZINC001206338273 813293996 /nfs/dbraw/zinc/29/39/96/813293996.db2.gz YXFJHDPSGPOZDC-CJNGLKHVSA-N 2 1 282.403 3.235 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@](F)(C[NH3+])C2)o1 ZINC001206338273 813294002 /nfs/dbraw/zinc/29/40/02/813294002.db2.gz YXFJHDPSGPOZDC-CJNGLKHVSA-N 2 1 282.403 3.235 20 0 CGADMP C[C@]1(F)CCCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001206401867 813315473 /nfs/dbraw/zinc/31/54/73/813315473.db2.gz AVBFNRFMIAQQRQ-HNNXBMFYSA-N 2 1 282.428 3.108 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@](C)(C[NH3+])C1)OCc1ccccc1 ZINC001206541864 813343702 /nfs/dbraw/zinc/34/37/02/813343702.db2.gz MCGGPBJZAMXPBQ-FUHWJXTLSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC001206556891 813352115 /nfs/dbraw/zinc/35/21/15/813352115.db2.gz ZILMEBQZAVBZEF-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2coc3ccccc23)C1 ZINC001206556639 813352516 /nfs/dbraw/zinc/35/25/16/813352516.db2.gz UNWYYNIZUMAZCD-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)c1 ZINC001206572104 813358204 /nfs/dbraw/zinc/35/82/04/813358204.db2.gz AURLZUJFUUXLMF-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)c1 ZINC001206572104 813358212 /nfs/dbraw/zinc/35/82/12/813358212.db2.gz AURLZUJFUUXLMF-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206584331 813364581 /nfs/dbraw/zinc/36/45/81/813364581.db2.gz YJOHIUXJIOKPOM-QGZVFWFLSA-N 2 1 277.456 3.263 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606589 813372327 /nfs/dbraw/zinc/37/23/27/813372327.db2.gz QQXAYHPXTFHVMN-HZPDHXFCSA-N 2 1 252.446 3.430 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001206615878 813375672 /nfs/dbraw/zinc/37/56/72/813375672.db2.gz JLWNIZCLGWKQDO-CYBMUJFWSA-N 2 1 274.433 3.462 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCCC[C@H](C[NH3+])C3)ccc2c1 ZINC001206615881 813375934 /nfs/dbraw/zinc/37/59/34/813375934.db2.gz JMWTYVPMWBWEHJ-OAHLLOKOSA-N 2 1 283.419 3.104 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1OC(C)C ZINC001206641579 813384296 /nfs/dbraw/zinc/38/42/96/813384296.db2.gz ZBMUZDUNSQEVDF-QGZVFWFLSA-N 2 1 290.451 3.343 20 0 CGADMP CC(C)Oc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1F ZINC001206646867 813385960 /nfs/dbraw/zinc/38/59/60/813385960.db2.gz DVUMSLQZQIEAGM-OAHLLOKOSA-N 2 1 294.414 3.174 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001206760835 813425458 /nfs/dbraw/zinc/42/54/58/813425458.db2.gz MQYKZHAHECVKLO-HIFRSBDPSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1ccccc1Cl ZINC001206760477 813425519 /nfs/dbraw/zinc/42/55/19/813425519.db2.gz HHRDHBUZVUCFAD-ZIAGYGMSSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001206767452 813430714 /nfs/dbraw/zinc/43/07/14/813430714.db2.gz BPJMZVXHKMBOJJ-ZBFHGGJFSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206772262 813433260 /nfs/dbraw/zinc/43/32/60/813433260.db2.gz ZZGWEYORHZXIGF-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc2cccccc1-2 ZINC001206805667 813441829 /nfs/dbraw/zinc/44/18/29/813441829.db2.gz CDOZDYFZAVBNRL-HUUCEWRRSA-N 2 1 268.404 3.351 20 0 CGADMP CC(C)C[N@H+](Cc1ncccc1F)CC1CC[NH+](C)CC1 ZINC001207252419 813521700 /nfs/dbraw/zinc/52/17/00/813521700.db2.gz HXLCNVKJTQEBLZ-UHFFFAOYSA-N 2 1 293.430 3.021 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001207283682 813533511 /nfs/dbraw/zinc/53/35/11/813533511.db2.gz CQXDJKPOXUKOKN-QGZVFWFLSA-N 2 1 292.442 3.420 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC001207282073 813534062 /nfs/dbraw/zinc/53/40/62/813534062.db2.gz LPMXPVDLUAGVDM-UHFFFAOYSA-N 2 1 268.832 3.360 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001207282073 813534064 /nfs/dbraw/zinc/53/40/64/813534064.db2.gz LPMXPVDLUAGVDM-UHFFFAOYSA-N 2 1 268.832 3.360 20 0 CGADMP Cc1ccc(CC[N@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001207286342 813535801 /nfs/dbraw/zinc/53/58/01/813535801.db2.gz QXDNYMVCXYBYKU-UHFFFAOYSA-N 2 1 262.441 3.057 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286768 813535819 /nfs/dbraw/zinc/53/58/19/813535819.db2.gz MCHXUVWTSBREIG-CRAIPNDOSA-N 2 1 290.426 3.331 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)c1 ZINC001207398753 813556510 /nfs/dbraw/zinc/55/65/10/813556510.db2.gz MTCPGMCLYWNQOI-GOSISDBHSA-N 2 1 288.435 3.174 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC001207441676 813564953 /nfs/dbraw/zinc/56/49/53/813564953.db2.gz JRXVETWQGUSJHS-SFHVURJKSA-N 2 1 272.436 3.440 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c(F)c1 ZINC001207440843 813565252 /nfs/dbraw/zinc/56/52/52/813565252.db2.gz HBOVAOFRDTVJAZ-INIZCTEOSA-N 2 1 280.362 3.101 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207484458 813572861 /nfs/dbraw/zinc/57/28/61/813572861.db2.gz LGPYPCDILCYPAV-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[N@H+](CCCc1cccc(OC)c1)CCC[NH+](C)C ZINC001207573520 813598449 /nfs/dbraw/zinc/59/84/49/813598449.db2.gz YTNLKPRZHLTFLP-UHFFFAOYSA-N 2 1 292.467 3.292 20 0 CGADMP C[N@@H+](CCCc1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC001207602990 813607668 /nfs/dbraw/zinc/60/76/68/813607668.db2.gz VAFPYYPNKZPQQO-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@@H](C)CCCC(C)(C)O ZINC001207682296 813634739 /nfs/dbraw/zinc/63/47/39/813634739.db2.gz ARKNCTIMGOURCB-INIZCTEOSA-N 2 1 286.504 3.227 20 0 CGADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001207838141 813658112 /nfs/dbraw/zinc/65/81/12/813658112.db2.gz WIQITCZOEIIEMI-FLXSYLCISA-N 2 1 276.468 3.441 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCC(C)=C[C@H]1C ZINC001208171386 813725826 /nfs/dbraw/zinc/72/58/26/813725826.db2.gz WNNFAZIMADPOHE-HZPDHXFCSA-N 2 1 252.446 3.252 20 0 CGADMP Cc1cccc2c1CC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208183413 813733047 /nfs/dbraw/zinc/73/30/47/813733047.db2.gz CFFAOHIYIGHEAO-UHFFFAOYSA-N 2 1 286.463 3.475 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001208183015 813733803 /nfs/dbraw/zinc/73/38/03/813733803.db2.gz WLXCMTOCWABICM-IRXDYDNUSA-N 2 1 276.468 3.397 20 0 CGADMP CC[N@H+](Cc1cccc(F)c1)CC1CC[NH+](CC)CC1 ZINC001208601375 813771388 /nfs/dbraw/zinc/77/13/88/813771388.db2.gz MXNYSEHUSCVGHO-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001208597102 813771550 /nfs/dbraw/zinc/77/15/50/813771550.db2.gz CPCVJACDXBXELN-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP CCCCC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208605832 813771862 /nfs/dbraw/zinc/77/18/62/813771862.db2.gz BHZUWXNLFWHFMK-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccccc2F)C1 ZINC001208607881 813772530 /nfs/dbraw/zinc/77/25/30/813772530.db2.gz OFPBDQSFPQLOQN-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccccc2F)C1 ZINC001208607881 813772534 /nfs/dbraw/zinc/77/25/34/813772534.db2.gz OFPBDQSFPQLOQN-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2F)C1 ZINC001208607881 813772537 /nfs/dbraw/zinc/77/25/37/813772537.db2.gz OFPBDQSFPQLOQN-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2F)C1 ZINC001208607881 813772540 /nfs/dbraw/zinc/77/25/40/813772540.db2.gz OFPBDQSFPQLOQN-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208609004 813774061 /nfs/dbraw/zinc/77/40/61/813774061.db2.gz SJHZLTSQQMUVRF-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208609004 813774065 /nfs/dbraw/zinc/77/40/65/813774065.db2.gz SJHZLTSQQMUVRF-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208609004 813774069 /nfs/dbraw/zinc/77/40/69/813774069.db2.gz SJHZLTSQQMUVRF-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208609004 813774071 /nfs/dbraw/zinc/77/40/71/813774071.db2.gz SJHZLTSQQMUVRF-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208672789 813791754 /nfs/dbraw/zinc/79/17/54/813791754.db2.gz BKDVSTMODQMZHX-CALCHBBNSA-N 2 1 286.463 3.238 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208672789 813791758 /nfs/dbraw/zinc/79/17/58/813791758.db2.gz BKDVSTMODQMZHX-CALCHBBNSA-N 2 1 286.463 3.238 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208672789 813791764 /nfs/dbraw/zinc/79/17/64/813791764.db2.gz BKDVSTMODQMZHX-CALCHBBNSA-N 2 1 286.463 3.238 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001208696508 813800548 /nfs/dbraw/zinc/80/05/48/813800548.db2.gz SJUXNYIKVJKIHY-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](C)OCc1ccccc1 ZINC001208704546 813806836 /nfs/dbraw/zinc/80/68/36/813806836.db2.gz MZEAYBJCZMSRDM-KRWDZBQOSA-N 2 1 292.467 3.255 20 0 CGADMP CC(C)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208735543 813825213 /nfs/dbraw/zinc/82/52/13/813825213.db2.gz NIHJOBNPLDCCNU-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208735543 813825218 /nfs/dbraw/zinc/82/52/18/813825218.db2.gz NIHJOBNPLDCCNU-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208735543 813825232 /nfs/dbraw/zinc/82/52/32/813825232.db2.gz NIHJOBNPLDCCNU-KDURUIRLSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[N@H+](CCCc1ccc(F)cc1)CCC[NH+](C)C ZINC001208774776 813840626 /nfs/dbraw/zinc/84/06/26/813840626.db2.gz GMNVDWAWQITZSP-UHFFFAOYSA-N 2 1 280.431 3.422 20 0 CGADMP C1=CO[C@@H](C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001208881012 813879787 /nfs/dbraw/zinc/87/97/87/813879787.db2.gz VMPMPXWIRHCEMJ-QGZVFWFLSA-N 2 1 290.451 3.020 20 0 CGADMP C1=CO[C@@H](C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001208881012 813879797 /nfs/dbraw/zinc/87/97/97/813879797.db2.gz VMPMPXWIRHCEMJ-QGZVFWFLSA-N 2 1 290.451 3.020 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC001208940160 813904754 /nfs/dbraw/zinc/90/47/54/813904754.db2.gz ANXSWNPSTRSACS-GOSISDBHSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001208948325 813908064 /nfs/dbraw/zinc/90/80/64/813908064.db2.gz PONYMWXXBLGCMD-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP FCC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950562 813908911 /nfs/dbraw/zinc/90/89/11/813908911.db2.gz UKCRLQRPJVOGGG-SFHVURJKSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209434497 814034882 /nfs/dbraw/zinc/03/48/82/814034882.db2.gz YYBSQOJEAKQPAX-NXWXRZEISA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209434497 814034884 /nfs/dbraw/zinc/03/48/84/814034884.db2.gz YYBSQOJEAKQPAX-NXWXRZEISA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209434497 814034888 /nfs/dbraw/zinc/03/48/88/814034888.db2.gz YYBSQOJEAKQPAX-NXWXRZEISA-N 2 1 284.447 3.096 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210497780 814489798 /nfs/dbraw/zinc/48/97/98/814489798.db2.gz NUUFQWGPGPSFNO-OAHLLOKOSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210497780 814489801 /nfs/dbraw/zinc/48/98/01/814489801.db2.gz NUUFQWGPGPSFNO-OAHLLOKOSA-N 2 1 260.425 3.069 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148703 816359215 /nfs/dbraw/zinc/35/92/15/816359215.db2.gz RETCNJXSMZBVNA-IBGZPJMESA-N 2 1 297.446 3.237 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC001222149058 816360063 /nfs/dbraw/zinc/36/00/63/816360063.db2.gz WCARCMROLBHRAM-IBGZPJMESA-N 2 1 295.430 3.053 20 0 CGADMP c1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161079 816365329 /nfs/dbraw/zinc/36/53/29/816365329.db2.gz KQBFBTNYMONLNJ-SFHVURJKSA-N 2 1 272.436 3.432 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)sn1 ZINC001222167890 816367378 /nfs/dbraw/zinc/36/73/78/816367378.db2.gz UOHRROQCRMJANW-INIZCTEOSA-N 2 1 293.480 3.197 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)sn1 ZINC001222167890 816367383 /nfs/dbraw/zinc/36/73/83/816367383.db2.gz UOHRROQCRMJANW-INIZCTEOSA-N 2 1 293.480 3.197 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222242921 816384381 /nfs/dbraw/zinc/38/43/81/816384381.db2.gz IAWLWAQTDQTQEM-LJQANCHMSA-N 2 1 297.446 3.379 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222242921 816384389 /nfs/dbraw/zinc/38/43/89/816384389.db2.gz IAWLWAQTDQTQEM-LJQANCHMSA-N 2 1 297.446 3.379 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222258898 816389426 /nfs/dbraw/zinc/38/94/26/816389426.db2.gz INDYTVQNKOFKHD-GOSISDBHSA-N 2 1 290.426 3.224 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222265355 816390599 /nfs/dbraw/zinc/39/05/99/816390599.db2.gz RXJRRDBGEHSKPS-IBGZPJMESA-N 2 1 297.446 3.442 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccc2[nH]1 ZINC001222265479 816391915 /nfs/dbraw/zinc/39/19/15/816391915.db2.gz UJSACNKJBBUKOA-GOSISDBHSA-N 2 1 283.419 3.134 20 0 CGADMP C[C@@H](CC[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001222283384 816395273 /nfs/dbraw/zinc/39/52/73/816395273.db2.gz XMUXHBCYNITPMB-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001222283384 816395283 /nfs/dbraw/zinc/39/52/83/816395283.db2.gz XMUXHBCYNITPMB-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1ccc(CCC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222308692 816403529 /nfs/dbraw/zinc/40/35/29/816403529.db2.gz LOEJRFYNVRHONB-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP Fc1cc(F)cc(CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222309797 816405015 /nfs/dbraw/zinc/40/50/15/816405015.db2.gz SKTUFXIUWWCYHM-KRWDZBQOSA-N 2 1 294.389 3.115 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422674 816441480 /nfs/dbraw/zinc/44/14/80/816441480.db2.gz WWYODFSWCALNOH-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422674 816441487 /nfs/dbraw/zinc/44/14/87/816441487.db2.gz WWYODFSWCALNOH-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP [NH3+]CC1(F)CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC001222533421 816463927 /nfs/dbraw/zinc/46/39/27/816463927.db2.gz YLIHYLAOFQGPFM-UHFFFAOYSA-N 2 1 291.197 3.256 20 0 CGADMP Fc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595718 816474971 /nfs/dbraw/zinc/47/49/71/816474971.db2.gz HKAIFDFXWJWJKC-SFHVURJKSA-N 2 1 296.389 3.015 20 0 CGADMP Fc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595718 816474975 /nfs/dbraw/zinc/47/49/75/816474975.db2.gz HKAIFDFXWJWJKC-SFHVURJKSA-N 2 1 296.389 3.015 20 0 CGADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc(C)n1 ZINC001231999925 818227851 /nfs/dbraw/zinc/22/78/51/818227851.db2.gz AQDSGPTUAFGVLC-UHFFFAOYSA-N 2 1 289.467 3.251 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CCC2CC2)c1 ZINC001232149306 818264616 /nfs/dbraw/zinc/26/46/16/818264616.db2.gz LVWCZROOSPCNNL-UHFFFAOYSA-N 2 1 264.388 3.119 20 0 CGADMP Cc1cc(N2CC[NH+](Cc3c(C)cccc3F)CC2)cc[nH+]1 ZINC001232486754 818368004 /nfs/dbraw/zinc/36/80/04/818368004.db2.gz MUDXIAWMTLSFPC-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc(F)ccn1 ZINC001232494855 818370862 /nfs/dbraw/zinc/37/08/62/818370862.db2.gz GRSPWPZVNRWVEN-DLBZAZTESA-N 2 1 291.414 3.060 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc2ncsc21 ZINC001232733282 818427483 /nfs/dbraw/zinc/42/74/83/818427483.db2.gz OQYIBIPWPCKHOC-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2ncsc21 ZINC001232733282 818427488 /nfs/dbraw/zinc/42/74/88/818427488.db2.gz OQYIBIPWPCKHOC-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP c1ccn(-c2ccccc2C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001232913095 818473294 /nfs/dbraw/zinc/47/32/94/818473294.db2.gz FQLAWEHJDTXAIF-UHFFFAOYSA-N 2 1 295.430 3.147 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912868 818473878 /nfs/dbraw/zinc/47/38/78/818473878.db2.gz YFMSLCZPJLNQSL-HKUYNNGSSA-N 2 1 295.430 3.003 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234978811 818967882 /nfs/dbraw/zinc/96/78/82/818967882.db2.gz KSMNDRCXAOYXEK-CALCHBBNSA-N 2 1 296.389 3.144 20 0 CGADMP c1ccc(CCCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234994912 818971401 /nfs/dbraw/zinc/97/14/01/818971401.db2.gz UELVFMJLCBYERL-SFHVURJKSA-N 2 1 272.436 3.085 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234993405 818972302 /nfs/dbraw/zinc/97/23/02/818972302.db2.gz NNLNTWIORKELMM-IRXDYDNUSA-N 2 1 264.457 3.444 20 0 CGADMP C[C@@H](C[N@H+]1CCC2(C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235024515 818980736 /nfs/dbraw/zinc/98/07/36/818980736.db2.gz NFLFRTVECRGSCT-HNNXBMFYSA-N 2 1 280.415 3.239 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033597 818983867 /nfs/dbraw/zinc/98/38/67/818983867.db2.gz ZRSDBXVMIVMPIY-IRXDYDNUSA-N 2 1 264.457 3.444 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031809 818983913 /nfs/dbraw/zinc/98/39/13/818983913.db2.gz OSDUZXYTMDFNPW-FUHWJXTLSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001235032576 818985209 /nfs/dbraw/zinc/98/52/09/818985209.db2.gz RGLBLOHHUJMGQF-ZBFHGGJFSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1F ZINC001235039695 818989106 /nfs/dbraw/zinc/98/91/06/818989106.db2.gz HBWOOHVBXZSZCB-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1F ZINC001235039695 818989108 /nfs/dbraw/zinc/98/91/08/818989108.db2.gz HBWOOHVBXZSZCB-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235046174 818989847 /nfs/dbraw/zinc/98/98/47/818989847.db2.gz NKJXZDDFYUEWCQ-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235046174 818989851 /nfs/dbraw/zinc/98/98/51/818989851.db2.gz NKJXZDDFYUEWCQ-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCCC34CC[NH2+]CC4)c[nH]c21 ZINC001235140325 819015673 /nfs/dbraw/zinc/01/56/73/819015673.db2.gz JIOVBESOBNRPJT-UHFFFAOYSA-N 2 1 297.446 3.448 20 0 CGADMP C1=CC[C@H](C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001235155935 819017887 /nfs/dbraw/zinc/01/78/87/819017887.db2.gz YTXCQUZYZCHEBY-RDJZCZTQSA-N 2 1 262.441 3.197 20 0 CGADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235165300 819019412 /nfs/dbraw/zinc/01/94/12/819019412.db2.gz ILLNZJJFIQVMNN-LSDHHAIUSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235165300 819019419 /nfs/dbraw/zinc/01/94/19/819019419.db2.gz ILLNZJJFIQVMNN-LSDHHAIUSA-N 2 1 298.352 3.061 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CCCC2)CC1 ZINC001235157946 819019879 /nfs/dbraw/zinc/01/98/79/819019879.db2.gz SOGBPTMQEUZZID-UONOGXRCSA-N 2 1 286.410 3.133 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235157321 819019962 /nfs/dbraw/zinc/01/99/62/819019962.db2.gz ILSLIRHTYUGTQB-GOSISDBHSA-N 2 1 290.426 3.488 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)[nH]1 ZINC001235172117 819022949 /nfs/dbraw/zinc/02/29/49/819022949.db2.gz KHHOGTHUBPGGEM-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCCC[C@]23CCC[NH2+]C3)[nH]1 ZINC001235172117 819022952 /nfs/dbraw/zinc/02/29/52/819022952.db2.gz KHHOGTHUBPGGEM-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP Cc1cccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1C ZINC001235191067 819029303 /nfs/dbraw/zinc/02/93/03/819029303.db2.gz PFQRZXJJYJYCJM-UHFFFAOYSA-N 2 1 272.436 3.412 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209389 819036941 /nfs/dbraw/zinc/03/69/41/819036941.db2.gz NSTJYUIMPHQMMQ-XHSDSOJGSA-N 2 1 250.430 3.053 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCCCc1ccccc1)C2 ZINC001235240036 819044244 /nfs/dbraw/zinc/04/42/44/819044244.db2.gz JRDVIMNYJMZRCF-QZTJIDSGSA-N 2 1 272.436 3.213 20 0 CGADMP Fc1cccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cccc12 ZINC001235271754 819059460 /nfs/dbraw/zinc/05/94/60/819059460.db2.gz OUJOQFZDIBKTQI-KSSFIOAISA-N 2 1 284.378 3.163 20 0 CGADMP Fc1cccc2c(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cccc12 ZINC001235271754 819059466 /nfs/dbraw/zinc/05/94/66/819059466.db2.gz OUJOQFZDIBKTQI-KSSFIOAISA-N 2 1 284.378 3.163 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235282786 819061038 /nfs/dbraw/zinc/06/10/38/819061038.db2.gz JIQDJXMARNSBFG-NKGKWGDASA-N 2 1 286.463 3.052 20 0 CGADMP CCCCCCc1csc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1 ZINC001235283126 819061782 /nfs/dbraw/zinc/06/17/82/819061782.db2.gz CZIPBCJHVMYACC-MUJYYYPQSA-N 2 1 278.465 3.260 20 0 CGADMP c1cc(-c2cccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)c2)cs1 ZINC001235340019 819071698 /nfs/dbraw/zinc/07/16/98/819071698.db2.gz GNUQMQQISZSIIB-INIZCTEOSA-N 2 1 298.455 3.456 20 0 CGADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](CC2CCC2)CC3)cc1 ZINC001235362810 819080248 /nfs/dbraw/zinc/08/02/48/819080248.db2.gz NVKCPVORPRLNPT-RTBURBONSA-N 2 1 284.447 3.040 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422236 819092763 /nfs/dbraw/zinc/09/27/63/819092763.db2.gz AJSGPSISANRZIX-NVXWUHKLSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1C ZINC001235433413 819096125 /nfs/dbraw/zinc/09/61/25/819096125.db2.gz WCSBMVCPCCDZHJ-UHFFFAOYSA-N 2 1 280.843 3.388 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235432088 819096291 /nfs/dbraw/zinc/09/62/91/819096291.db2.gz HMJGFZXYKPFLOQ-UHFFFAOYSA-N 2 1 280.843 3.388 20 0 CGADMP COc1ccc(-c2cccc(C[N@@H+](C)CCC[NH3+])c2)cc1 ZINC001235435233 819098700 /nfs/dbraw/zinc/09/87/00/819098700.db2.gz DLNRJYDWKVUTMW-UHFFFAOYSA-N 2 1 284.403 3.143 20 0 CGADMP CCCCCCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC001235435785 819099839 /nfs/dbraw/zinc/09/98/39/819099839.db2.gz YXSWUQUCSOKNQK-UHFFFAOYSA-N 2 1 278.440 3.426 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC001235465400 819106130 /nfs/dbraw/zinc/10/61/30/819106130.db2.gz JCOFPXTYYUPKKI-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP C[N@H+](Cc1cc(Cl)c(F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235465922 819106939 /nfs/dbraw/zinc/10/69/39/819106939.db2.gz KUMISTPPUMJPTQ-UHFFFAOYSA-N 2 1 291.197 3.316 20 0 CGADMP C[N@@H+](Cc1cc(Cl)c(F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235465922 819106944 /nfs/dbraw/zinc/10/69/44/819106944.db2.gz KUMISTPPUMJPTQ-UHFFFAOYSA-N 2 1 291.197 3.316 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235672823 819133504 /nfs/dbraw/zinc/13/35/04/819133504.db2.gz HNGMETQLXSJKAF-HNNXBMFYSA-N 2 1 298.430 3.409 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC001235689702 819142213 /nfs/dbraw/zinc/14/22/13/819142213.db2.gz BMIOBONGQWHCAE-LJQANCHMSA-N 2 1 296.414 3.189 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235694810 819143578 /nfs/dbraw/zinc/14/35/78/819143578.db2.gz VIDLFYUBQPSMAQ-INIZCTEOSA-N 2 1 264.457 3.421 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(F)c1 ZINC001235717810 819151334 /nfs/dbraw/zinc/15/13/34/819151334.db2.gz MTLBKZFDFBLHMQ-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2cc(C)c(C)cc2C)CC1 ZINC001235726292 819154652 /nfs/dbraw/zinc/15/46/52/819154652.db2.gz MFLMAZRAEOGOSP-UHFFFAOYSA-N 2 1 260.425 3.186 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2cccc3c2CCCC3)CC1 ZINC001235726220 819155282 /nfs/dbraw/zinc/15/52/82/819155282.db2.gz LBMKESIPXGRWDR-UHFFFAOYSA-N 2 1 272.436 3.139 20 0 CGADMP CC[N@@H+](CCC(C)(C)c1ccccc1)C1CC[NH2+]CC1 ZINC001235762168 819161234 /nfs/dbraw/zinc/16/12/34/819161234.db2.gz WBRLXBANOPOSBM-UHFFFAOYSA-N 2 1 274.452 3.428 20 0 CGADMP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)cc(C)c1Cl ZINC001235752893 819161444 /nfs/dbraw/zinc/16/14/44/819161444.db2.gz UTHMZKUMXHKWTA-UHFFFAOYSA-N 2 1 266.816 3.270 20 0 CGADMP CC[N@@H+](Cc1ccc(OC(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC001235762397 819163338 /nfs/dbraw/zinc/16/33/38/819163338.db2.gz TUWKMQAVVWWFKE-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)Cc1ccc(C[NH3+])cc1 ZINC001235839721 819181721 /nfs/dbraw/zinc/18/17/21/819181721.db2.gz VWXZLVWOZCWJBC-UHFFFAOYSA-N 2 1 288.822 3.473 20 0 CGADMP CC/C=C\CCCCCC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841456 819183511 /nfs/dbraw/zinc/18/35/11/819183511.db2.gz GBAHZOBBGSBFHT-AWFCHZOYSA-N 2 1 252.446 3.444 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001235868119 819189992 /nfs/dbraw/zinc/18/99/92/819189992.db2.gz UHMWOQBLZBYDPG-KBUPBQIOSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001235868119 819189998 /nfs/dbraw/zinc/18/99/98/819189998.db2.gz UHMWOQBLZBYDPG-KBUPBQIOSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001235868119 819190005 /nfs/dbraw/zinc/19/00/05/819190005.db2.gz UHMWOQBLZBYDPG-KBUPBQIOSA-N 2 1 286.410 3.132 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918721 819220019 /nfs/dbraw/zinc/22/00/19/819220019.db2.gz JPTSVKLZTXRSCC-JSGCOSHPSA-N 2 1 286.341 3.232 20 0 CGADMP CC[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918721 819220023 /nfs/dbraw/zinc/22/00/23/819220023.db2.gz JPTSVKLZTXRSCC-JSGCOSHPSA-N 2 1 286.341 3.232 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001235925099 819223049 /nfs/dbraw/zinc/22/30/49/819223049.db2.gz ACQQVQCPOLZDLS-INIZCTEOSA-N 2 1 254.377 3.105 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235925672 819224739 /nfs/dbraw/zinc/22/47/39/819224739.db2.gz ONBYANHWFKWNNN-SFHVURJKSA-N 2 1 296.414 3.372 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925942 819224817 /nfs/dbraw/zinc/22/48/17/819224817.db2.gz STGWLUKMDUFGOG-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235925251 819225285 /nfs/dbraw/zinc/22/52/85/819225285.db2.gz MZAQMFNHMAGXRH-CWRNSKLLSA-N 2 1 278.827 3.257 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc2sccc21 ZINC001235926350 819225933 /nfs/dbraw/zinc/22/59/33/819225933.db2.gz ZZOMTRJGIKNVFO-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP c1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235938880 819233036 /nfs/dbraw/zinc/23/30/36/819233036.db2.gz MECHKJLAKXMLLQ-WOJBJXKFSA-N 2 1 292.426 3.395 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC001235936073 819233202 /nfs/dbraw/zinc/23/32/02/819233202.db2.gz ZIPCJVRZICYKRT-MRXNPFEDSA-N 2 1 276.399 3.005 20 0 CGADMP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc12 ZINC001235942855 819233893 /nfs/dbraw/zinc/23/38/93/819233893.db2.gz YHKIQNIWMOUQKY-DZGCQCFKSA-N 2 1 284.378 3.020 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+](CC[NH3+])C(C)C)c(C)c1C ZINC001235948057 819237510 /nfs/dbraw/zinc/23/75/10/819237510.db2.gz RIHZPHCNSCNECX-UHFFFAOYSA-N 2 1 262.441 3.398 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+](CC[NH3+])C(C)C)c(C)c1C ZINC001235948057 819237517 /nfs/dbraw/zinc/23/75/17/819237517.db2.gz RIHZPHCNSCNECX-UHFFFAOYSA-N 2 1 262.441 3.398 20 0 CGADMP Clc1cccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235949699 819239374 /nfs/dbraw/zinc/23/93/74/819239374.db2.gz GABVPEPSJYYLIF-DZGCQCFKSA-N 2 1 278.827 3.129 20 0 CGADMP C[N@H+](Cc1ccc2ccsc2c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956752 819243922 /nfs/dbraw/zinc/24/39/22/819243922.db2.gz HEODWBOSNTTXMJ-CQSZACIVSA-N 2 1 274.433 3.333 20 0 CGADMP C[N@H+](Cc1ccc(C2CCC2)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235957795 819245455 /nfs/dbraw/zinc/24/54/55/819245455.db2.gz UIHPHOYBVXXMMZ-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C1(C)C ZINC001235958490 819246123 /nfs/dbraw/zinc/24/61/23/819246123.db2.gz GEOIQBGJEGLGRI-QKPAOTATSA-N 2 1 262.441 3.038 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)C/C=C/c1ccccc1 ZINC001235960238 819247354 /nfs/dbraw/zinc/24/73/54/819247354.db2.gz QFQMPNGDBJETGN-BILQUBDUSA-N 2 1 294.389 3.122 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001235960238 819247359 /nfs/dbraw/zinc/24/73/59/819247359.db2.gz QFQMPNGDBJETGN-BILQUBDUSA-N 2 1 294.389 3.122 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235960667 819249904 /nfs/dbraw/zinc/24/99/04/819249904.db2.gz WRJQNRHKYRSTLX-JKSUJKDBSA-N 2 1 276.424 3.184 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235960667 819249911 /nfs/dbraw/zinc/24/99/11/819249911.db2.gz WRJQNRHKYRSTLX-JKSUJKDBSA-N 2 1 276.424 3.184 20 0 CGADMP CCC(CC)[N@@H+](CC)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235961712 819250364 /nfs/dbraw/zinc/25/03/64/819250364.db2.gz DULVBXPVQLLLEO-UHFFFAOYSA-N 2 1 266.454 3.404 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC001235962835 819251728 /nfs/dbraw/zinc/25/17/28/819251728.db2.gz OKYVEVAHGYRGRO-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985855 819261198 /nfs/dbraw/zinc/26/11/98/819261198.db2.gz DFZZOMZTEYTJLW-MJGOQNOKSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985855 819261205 /nfs/dbraw/zinc/26/12/05/819261205.db2.gz DFZZOMZTEYTJLW-MJGOQNOKSA-N 2 1 296.389 3.416 20 0 CGADMP CC[N@H+](Cc1ccccc1-c1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC001236006507 819270412 /nfs/dbraw/zinc/27/04/12/819270412.db2.gz IAWDUZGJOLDIKL-GOSISDBHSA-N 2 1 295.430 3.323 20 0 CGADMP CC[N@@H+](Cc1ccccc1-c1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC001236006507 819270419 /nfs/dbraw/zinc/27/04/19/819270419.db2.gz IAWDUZGJOLDIKL-GOSISDBHSA-N 2 1 295.430 3.323 20 0 CGADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CCCCCc2ccccc2)C1 ZINC001236045941 819283398 /nfs/dbraw/zinc/28/33/98/819283398.db2.gz YIBVVASMMVNVAO-RDJZCZTQSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236113344 819326202 /nfs/dbraw/zinc/32/62/02/819326202.db2.gz SDUFOIKXRXWAQE-SFHVURJKSA-N 2 1 297.446 3.365 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1ccc(SC(F)(F)F)cc1 ZINC001236141584 819343091 /nfs/dbraw/zinc/34/30/91/819343091.db2.gz KJQJBYWHRLRWGB-UHFFFAOYSA-N 2 1 292.370 3.469 20 0 CGADMP CC[N@H+](CC[NH3+])Cc1ccccc1-c1ccccc1C ZINC001236144635 819345724 /nfs/dbraw/zinc/34/57/24/819345724.db2.gz RIOBXWHGRXCBIC-UHFFFAOYSA-N 2 1 268.404 3.443 20 0 CGADMP CC[N@@H+](CC[NH3+])Cc1ccccc1-c1ccccc1C ZINC001236144635 819345728 /nfs/dbraw/zinc/34/57/28/819345728.db2.gz RIOBXWHGRXCBIC-UHFFFAOYSA-N 2 1 268.404 3.443 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc3c(c2)NCCC3)CC1 ZINC001236215544 819378094 /nfs/dbraw/zinc/37/80/94/819378094.db2.gz OWTTYZPSYDTWKA-UHFFFAOYSA-N 2 1 287.451 3.007 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)c(F)c1 ZINC001236215944 819379859 /nfs/dbraw/zinc/37/98/59/819379859.db2.gz UDBPXKMLCRIIIR-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236216168 819380108 /nfs/dbraw/zinc/38/01/08/819380108.db2.gz ILENKUQRBRCKAF-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236216168 819380114 /nfs/dbraw/zinc/38/01/14/819380114.db2.gz ILENKUQRBRCKAF-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP C[N@@H+](Cc1cccc(Oc2ccccc2)c1)CC1C[NH2+]C1 ZINC001236239687 819400418 /nfs/dbraw/zinc/40/04/18/819400418.db2.gz HSHURBLZRNAZIT-UHFFFAOYSA-N 2 1 282.387 3.130 20 0 CGADMP C[N@H+](Cc1cccc(Oc2ccccc2)c1)CC1C[NH2+]C1 ZINC001236239687 819400423 /nfs/dbraw/zinc/40/04/23/819400423.db2.gz HSHURBLZRNAZIT-UHFFFAOYSA-N 2 1 282.387 3.130 20 0 CGADMP CCC[N@@H+](CC(C)C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236263708 819409977 /nfs/dbraw/zinc/40/99/77/819409977.db2.gz IRUZQGMQHJMDMB-UHFFFAOYSA-N 2 1 252.446 3.134 20 0 CGADMP c1ccc(C[N@@H+](CC2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236270369 819411220 /nfs/dbraw/zinc/41/12/20/819411220.db2.gz RBLMMNGVJWNOKN-KRWDZBQOSA-N 2 1 258.409 3.041 20 0 CGADMP c1ccc(C[N@H+](CC2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236270369 819411224 /nfs/dbraw/zinc/41/12/24/819411224.db2.gz RBLMMNGVJWNOKN-KRWDZBQOSA-N 2 1 258.409 3.041 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303519 819417254 /nfs/dbraw/zinc/41/72/54/819417254.db2.gz RLZHQFGRMJVRQS-CQSZACIVSA-N 2 1 286.341 3.452 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314218 819420971 /nfs/dbraw/zinc/42/09/71/819420971.db2.gz LOUNTNVBZPCXQR-CALCHBBNSA-N 2 1 264.457 3.278 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315568 819422047 /nfs/dbraw/zinc/42/20/47/819422047.db2.gz LNMGCOACBFHFEP-IYBDPMFKSA-N 2 1 297.446 3.093 20 0 CGADMP CC[N@H+](Cc1cccc(C(C)(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407493 819454255 /nfs/dbraw/zinc/45/42/55/819454255.db2.gz GFRFHUMZMVPWND-MRXNPFEDSA-N 2 1 274.452 3.416 20 0 CGADMP CC[N@H+](Cc1ccc(OCC(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236409029 819455582 /nfs/dbraw/zinc/45/55/82/819455582.db2.gz RCEPLDAYKJGHTE-KRWDZBQOSA-N 2 1 290.451 3.153 20 0 CGADMP CC[N@H+](Cc1c[nH]c2cccc(Cl)c12)C[C@H]1CC[NH2+]C1 ZINC001236408075 819456076 /nfs/dbraw/zinc/45/60/76/819456076.db2.gz KSEHIYKPELHZDG-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP CC[N@@H+](Cc1cc(Cl)ccc1SC)C[C@@H]1CC[NH2+]C1 ZINC001236409554 819456501 /nfs/dbraw/zinc/45/65/01/819456501.db2.gz BNVLTWHKABSOKY-GFCCVEGCSA-N 2 1 298.883 3.493 20 0 CGADMP CC[N@H+](Cc1cc(Cl)ccc1SC)C[C@@H]1CC[NH2+]C1 ZINC001236409554 819456505 /nfs/dbraw/zinc/45/65/05/819456505.db2.gz BNVLTWHKABSOKY-GFCCVEGCSA-N 2 1 298.883 3.493 20 0 CGADMP C[C@@H](C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001236409708 819457616 /nfs/dbraw/zinc/45/76/16/819457616.db2.gz CVABQXZCMHXSJK-NOENWEJRSA-N 2 1 280.415 3.093 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccccc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413006 819458927 /nfs/dbraw/zinc/45/89/27/819458927.db2.gz MQCLXIVFPDHVQQ-BWTSREIZSA-N 2 1 278.399 3.003 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413006 819458932 /nfs/dbraw/zinc/45/89/32/819458932.db2.gz MQCLXIVFPDHVQQ-BWTSREIZSA-N 2 1 278.399 3.003 20 0 CGADMP C[N@H+](Cc1cccc(Oc2ccccc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236417658 819463998 /nfs/dbraw/zinc/46/39/98/819463998.db2.gz YMJGOJHVSUBVBB-BWTSREIZSA-N 2 1 294.398 3.129 20 0 CGADMP C[N@@H+](Cc1cccc(Oc2ccccc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236417658 819464003 /nfs/dbraw/zinc/46/40/03/819464003.db2.gz YMJGOJHVSUBVBB-BWTSREIZSA-N 2 1 294.398 3.129 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)c2ccccc12 ZINC001236420825 819466761 /nfs/dbraw/zinc/46/67/61/819466761.db2.gz OLOUDXJNLGMPJV-KSSFIOAISA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)c2ccccc12 ZINC001236420825 819466766 /nfs/dbraw/zinc/46/67/66/819466766.db2.gz OLOUDXJNLGMPJV-KSSFIOAISA-N 2 1 268.404 3.460 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC001236429484 819474330 /nfs/dbraw/zinc/47/43/30/819474330.db2.gz ZGFDBLJOVDGJAK-SJORKVTESA-N 2 1 258.409 3.192 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC001236429484 819474332 /nfs/dbraw/zinc/47/43/32/819474332.db2.gz ZGFDBLJOVDGJAK-SJORKVTESA-N 2 1 258.409 3.192 20 0 CGADMP CC(C)C[N@@H+](Cc1cccc(F)c1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554821 819535556 /nfs/dbraw/zinc/53/55/56/819535556.db2.gz XANKSDFNJFXTIU-SHTZXODSSA-N 2 1 293.430 3.136 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)[nH]1 ZINC001236597842 819548788 /nfs/dbraw/zinc/54/87/88/819548788.db2.gz GBAAHUVTDDUTON-AWEZNQCLSA-N 2 1 289.467 3.276 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)[nH]1 ZINC001236597842 819548792 /nfs/dbraw/zinc/54/87/92/819548792.db2.gz GBAAHUVTDDUTON-AWEZNQCLSA-N 2 1 289.467 3.276 20 0 CGADMP Cc1cc(F)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236602129 819550172 /nfs/dbraw/zinc/55/01/72/819550172.db2.gz UOZVXWZXHBQJQZ-AWEZNQCLSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc(F)c1F ZINC001236636402 819557205 /nfs/dbraw/zinc/55/72/05/819557205.db2.gz FOACRNWASWLKNX-UHFFFAOYSA-N 2 1 294.389 3.380 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634112 819557375 /nfs/dbraw/zinc/55/73/75/819557375.db2.gz RBBCKKCUJDARIB-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1ccc(F)c(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236633339 819557477 /nfs/dbraw/zinc/55/74/77/819557477.db2.gz GCFRORJIVUOLNT-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP Cc1ccc(F)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236633339 819557481 /nfs/dbraw/zinc/55/74/81/819557481.db2.gz GCFRORJIVUOLNT-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236819287 819606851 /nfs/dbraw/zinc/60/68/51/819606851.db2.gz MIYJVSKMAJJWAP-CQDKDKBSSA-N 2 1 298.352 3.183 20 0 CGADMP CCC[N@@H+](CC[C@@H](C)c1ccc(C)o1)C[C@@H]1CC[NH2+]C1 ZINC001236829903 819609836 /nfs/dbraw/zinc/60/98/36/819609836.db2.gz LMKNHNHREGJUTP-GDBMZVCRSA-N 2 1 278.440 3.403 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236827492 819610245 /nfs/dbraw/zinc/61/02/45/819610245.db2.gz GFFOWRRLSBVQSG-JVLSTEMRSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236827492 819610249 /nfs/dbraw/zinc/61/02/49/819610249.db2.gz GFFOWRRLSBVQSG-JVLSTEMRSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001236829381 819610354 /nfs/dbraw/zinc/61/03/54/819610354.db2.gz KEUBVXZLORHYQD-NJZAAPMLSA-N 2 1 298.352 3.183 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]12 ZINC001236831459 819612248 /nfs/dbraw/zinc/61/22/48/819612248.db2.gz RILBLFWCOAXVDT-KZNAEPCWSA-N 2 1 270.420 3.123 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(F)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236836556 819616419 /nfs/dbraw/zinc/61/64/19/819616419.db2.gz XJZQGPVPQLWLKV-HNNXBMFYSA-N 2 1 278.415 3.264 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(C)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236843359 819618645 /nfs/dbraw/zinc/61/86/45/819618645.db2.gz IFMTWZFVTGENAG-MRXNPFEDSA-N 2 1 290.451 3.134 20 0 CGADMP CCC[N@H+](Cc1ccc(OCC)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236842228 819619062 /nfs/dbraw/zinc/61/90/62/819619062.db2.gz CEFNFDUSOXBWND-HNNXBMFYSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cccc(C)c3Cl)C[C@H]2C1 ZINC001236860282 819624322 /nfs/dbraw/zinc/62/43/22/819624322.db2.gz XZGJFJGHCXPYMN-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)c(C)c(C)c(C)c1C ZINC001236868279 819626577 /nfs/dbraw/zinc/62/65/77/819626577.db2.gz AEGOXFONMAVYFF-INIZCTEOSA-N 2 1 262.441 3.398 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)c(C)c(C)c(C)c1C ZINC001236868279 819626581 /nfs/dbraw/zinc/62/65/81/819626581.db2.gz AEGOXFONMAVYFF-INIZCTEOSA-N 2 1 262.441 3.398 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001237056369 819654749 /nfs/dbraw/zinc/65/47/49/819654749.db2.gz IMOSZQJCLKYIAB-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001237056369 819654752 /nfs/dbraw/zinc/65/47/52/819654752.db2.gz IMOSZQJCLKYIAB-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237080230 819662024 /nfs/dbraw/zinc/66/20/24/819662024.db2.gz FWTGDTIZPPMJOW-SFHVURJKSA-N 2 1 274.452 3.446 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001237080855 819662661 /nfs/dbraw/zinc/66/26/61/819662661.db2.gz JHEUTJSYUZWJCO-INIZCTEOSA-N 2 1 274.433 3.462 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001237106083 819669056 /nfs/dbraw/zinc/66/90/56/819669056.db2.gz CSANELLQJBHPOP-RTBURBONSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001237106083 819669061 /nfs/dbraw/zinc/66/90/61/819669061.db2.gz CSANELLQJBHPOP-RTBURBONSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237264427 819710651 /nfs/dbraw/zinc/71/06/51/819710651.db2.gz HIIZJAYVPHFSOG-INIZCTEOSA-N 2 1 290.451 3.263 20 0 CGADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2cccccc1-2 ZINC001237414999 819746243 /nfs/dbraw/zinc/74/62/43/819746243.db2.gz OJHQYGBKLAXQOD-PKOBYXMFSA-N 2 1 280.415 3.365 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237415459 819749370 /nfs/dbraw/zinc/74/93/70/819749370.db2.gz OAYMWTINNWXNAS-XJKSGUPXSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237415459 819749373 /nfs/dbraw/zinc/74/93/73/819749373.db2.gz OAYMWTINNWXNAS-XJKSGUPXSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1nc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1F ZINC001237818939 819850774 /nfs/dbraw/zinc/85/07/74/819850774.db2.gz YLOXJHZKDUSSTJ-UHFFFAOYSA-N 2 1 293.430 3.081 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001238685675 820082487 /nfs/dbraw/zinc/08/24/87/820082487.db2.gz OHHWOHFGZXJXGB-UHFFFAOYSA-N 2 1 292.492 3.491 20 0 CGADMP C[NH+](C)Cc1ccccc1-c1ccc2c(c1)CC[N@H+](C)C2 ZINC001239682901 820519140 /nfs/dbraw/zinc/51/91/40/820519140.db2.gz CJGLFEHKLXNIMB-UHFFFAOYSA-N 2 1 280.415 3.403 20 0 CGADMP C[N@H+]1CC[C@H](c2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc2)C1 ZINC001240459561 821072636 /nfs/dbraw/zinc/07/26/36/821072636.db2.gz YUZUDHVIXHIZBW-FQEVSTJZSA-N 2 1 292.426 3.418 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240873555 821383115 /nfs/dbraw/zinc/38/31/15/821383115.db2.gz CZHBJWSGYSZYCU-OAHLLOKOSA-N 2 1 285.435 3.223 20 0 CGADMP [NH3+]CCc1ccccc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241505332 821905946 /nfs/dbraw/zinc/90/59/46/821905946.db2.gz QDTRJNOWJIIEKS-UHFFFAOYSA-N 2 1 292.426 3.477 20 0 CGADMP c1cc(C[NH+]2CCCC2)cc(-c2cc[nH+]c3c2CCN3)c1 ZINC001242119909 822884435 /nfs/dbraw/zinc/88/44/35/822884435.db2.gz KXEMRBUZQSGCCR-UHFFFAOYSA-N 2 1 279.387 3.312 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2c(C)c[nH+]c3ccccc32)C1 ZINC001340375243 936403713 /nfs/dbraw/zinc/40/37/13/936403713.db2.gz HRAHWIFTHBQPPD-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC001345945395 936830453 /nfs/dbraw/zinc/83/04/53/936830453.db2.gz UAIUWVBBUFSGTL-CHWSQXEVSA-N 2 1 260.372 3.027 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1F ZINC001355374855 937138886 /nfs/dbraw/zinc/13/88/86/937138886.db2.gz VNDRLEGWDBAVOJ-UAGQMJEPSA-N 2 1 290.426 3.296 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[C@@H](C)C1 ZINC001460254641 937522957 /nfs/dbraw/zinc/52/29/57/937522957.db2.gz SOEMLMCSPQNERV-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CC)cc2)C1 ZINC000098173235 931995672 /nfs/dbraw/zinc/99/56/72/931995672.db2.gz ZOHRQTFFZFPGDI-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C(C)C)CC2)[C@H](C)C1 ZINC001461872165 937602770 /nfs/dbraw/zinc/60/27/70/937602770.db2.gz UBUPFDSTUVGITR-HUUCEWRRSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C(C)C)CC2)[C@H](C)C1 ZINC001461872165 937602773 /nfs/dbraw/zinc/60/27/73/937602773.db2.gz UBUPFDSTUVGITR-HUUCEWRRSA-N 2 1 252.446 3.085 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001461860986 937603062 /nfs/dbraw/zinc/60/30/62/937603062.db2.gz JMEICENYBQBNPC-FUHWJXTLSA-N 2 1 287.451 3.035 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001461860986 937603064 /nfs/dbraw/zinc/60/30/64/937603064.db2.gz JMEICENYBQBNPC-FUHWJXTLSA-N 2 1 287.451 3.035 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001461860986 937603066 /nfs/dbraw/zinc/60/30/66/937603066.db2.gz JMEICENYBQBNPC-FUHWJXTLSA-N 2 1 287.451 3.035 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001307455314 932954308 /nfs/dbraw/zinc/95/43/08/932954308.db2.gz OMUOLYCEHZLOAR-UHFFFAOYSA-N 2 1 296.499 3.124 20 0 CGADMP CSC1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001462518197 937646760 /nfs/dbraw/zinc/64/67/60/937646760.db2.gz MISJXUOVXPQONY-OGVSOVDVSA-N 2 1 282.497 3.267 20 0 CGADMP CSC1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001462518197 937646761 /nfs/dbraw/zinc/64/67/61/937646761.db2.gz MISJXUOVXPQONY-OGVSOVDVSA-N 2 1 282.497 3.267 20 0 CGADMP C[C@@H](COCC1CCCCC1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001308092084 933047843 /nfs/dbraw/zinc/04/78/43/933047843.db2.gz FFLNPCPRTFLMBU-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308122213 933054038 /nfs/dbraw/zinc/05/40/38/933054038.db2.gz VLQXGPHEVLSUFM-ZACQAIPSSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308122213 933054043 /nfs/dbraw/zinc/05/40/43/933054043.db2.gz VLQXGPHEVLSUFM-ZACQAIPSSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308122213 933054048 /nfs/dbraw/zinc/05/40/48/933054048.db2.gz VLQXGPHEVLSUFM-ZACQAIPSSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308122213 933054053 /nfs/dbraw/zinc/05/40/53/933054053.db2.gz VLQXGPHEVLSUFM-ZACQAIPSSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001308159618 933061098 /nfs/dbraw/zinc/06/10/98/933061098.db2.gz JASVPKIMOACXSO-IRXDYDNUSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001308159618 933061102 /nfs/dbraw/zinc/06/11/02/933061102.db2.gz JASVPKIMOACXSO-IRXDYDNUSA-N 2 1 291.439 3.005 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001308261911 933083446 /nfs/dbraw/zinc/08/34/46/933083446.db2.gz XBOAUEAWMXBXHW-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCCOc2ccccc2)CC1 ZINC001308629913 933147217 /nfs/dbraw/zinc/14/72/17/933147217.db2.gz NMFCVEGKROJTQH-UHFFFAOYSA-N 2 1 290.451 3.119 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC001308756037 933171570 /nfs/dbraw/zinc/17/15/70/933171570.db2.gz XHMOJBJDSYLNCR-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP COc1cc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)ccc1C ZINC001308984174 933222091 /nfs/dbraw/zinc/22/20/91/933222091.db2.gz LGUQSCWKCJWWGF-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP COc1cc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)ccc1C ZINC001308984174 933222097 /nfs/dbraw/zinc/22/20/97/933222097.db2.gz LGUQSCWKCJWWGF-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1ccsc1C(=O)Nc1cnccc1-n1ccnc1C ZINC001318584568 933748125 /nfs/dbraw/zinc/74/81/25/933748125.db2.gz IHNVMICBDPJHGT-UHFFFAOYSA-N 2 1 298.371 3.198 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294238 933854249 /nfs/dbraw/zinc/85/42/49/933854249.db2.gz PPKINIWNRAJTTA-XWIAVFTESA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294238 933854258 /nfs/dbraw/zinc/85/42/58/933854258.db2.gz PPKINIWNRAJTTA-XWIAVFTESA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294238 933854265 /nfs/dbraw/zinc/85/42/65/933854265.db2.gz PPKINIWNRAJTTA-XWIAVFTESA-N 2 1 288.410 3.229 20 0 CGADMP CCC1CCC([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001320072646 933993200 /nfs/dbraw/zinc/99/32/00/933993200.db2.gz SZIZMXJLHQIMCV-SSHXOBKSSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001320290209 934025088 /nfs/dbraw/zinc/02/50/88/934025088.db2.gz UMIXNWKZSHPQDA-OLMNPRSZSA-N 2 1 290.451 3.176 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001321042020 934142829 /nfs/dbraw/zinc/14/28/29/934142829.db2.gz DBQOEIWEVIGNOA-HZPDHXFCSA-N 2 1 262.441 3.246 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407009 934497827 /nfs/dbraw/zinc/49/78/27/934497827.db2.gz HQKNXLIPVPFJIQ-ZBFHGGJFSA-N 2 1 292.471 3.155 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407009 934497838 /nfs/dbraw/zinc/49/78/38/934497838.db2.gz HQKNXLIPVPFJIQ-ZBFHGGJFSA-N 2 1 292.471 3.155 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001324444633 934504837 /nfs/dbraw/zinc/50/48/37/934504837.db2.gz XACGJQZPPBDSGH-FUHWJXTLSA-N 2 1 274.452 3.246 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325597625 934919971 /nfs/dbraw/zinc/91/99/71/934919971.db2.gz JGBDVDIVGYUZBU-BMFZPTHFSA-N 2 1 264.413 3.063 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC001326218768 934959914 /nfs/dbraw/zinc/95/99/14/934959914.db2.gz NDEAGHWZESYQFY-RRFJBIMHSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC001326518868 934987376 /nfs/dbraw/zinc/98/73/76/934987376.db2.gz MMOAZVBSPAWHJM-OAHLLOKOSA-N 2 1 290.426 3.395 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2ccncc2)CC1 ZINC001473716658 937818551 /nfs/dbraw/zinc/81/85/51/937818551.db2.gz IXWKPEDDNNDFMR-SFHVURJKSA-N 2 1 287.451 3.168 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccncc2)CC1 ZINC001473716658 937818552 /nfs/dbraw/zinc/81/85/52/937818552.db2.gz IXWKPEDDNNDFMR-SFHVURJKSA-N 2 1 287.451 3.168 20 0 CGADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328764597 935167894 /nfs/dbraw/zinc/16/78/94/935167894.db2.gz OMJOAERUURJCCX-HZSPNIEDSA-N 2 1 296.480 3.023 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC001329024848 935179582 /nfs/dbraw/zinc/17/95/82/935179582.db2.gz VRYQXRXTSMDLDI-DNVCBOLYSA-N 2 1 298.430 3.372 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564108 935228562 /nfs/dbraw/zinc/22/85/62/935228562.db2.gz DUSHWQSWRUNLTD-OLZOCXBDSA-N 2 1 297.393 3.402 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564108 935228564 /nfs/dbraw/zinc/22/85/64/935228564.db2.gz DUSHWQSWRUNLTD-OLZOCXBDSA-N 2 1 297.393 3.402 20 0 CGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n(C2CC2)c1 ZINC001330810989 935325390 /nfs/dbraw/zinc/32/53/90/935325390.db2.gz QCPSRUDOZREDPE-INIZCTEOSA-N 2 1 287.451 3.035 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001332230502 935451031 /nfs/dbraw/zinc/45/10/31/935451031.db2.gz FXXAPGHGMOHLHL-CAOSSQGBSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001333891045 936073849 /nfs/dbraw/zinc/07/38/49/936073849.db2.gz IQEDZCYLZOROLV-OKZBNKHCSA-N 2 1 272.436 3.157 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001334358202 936099685 /nfs/dbraw/zinc/09/96/85/936099685.db2.gz XKJJSNDGYHBDAQ-XLNGHYISSA-N 2 1 292.492 3.341 20 0 CGADMP FC(F)(F)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001336657878 936203561 /nfs/dbraw/zinc/20/35/61/936203561.db2.gz KPOLVXQVGHDXAJ-GXTWGEPZSA-N 2 1 290.373 3.278 20 0 CGADMP FC(F)(F)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001336657878 936203564 /nfs/dbraw/zinc/20/35/64/936203564.db2.gz KPOLVXQVGHDXAJ-GXTWGEPZSA-N 2 1 290.373 3.278 20 0 CGADMP FC(F)(F)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001336657878 936203566 /nfs/dbraw/zinc/20/35/66/936203566.db2.gz KPOLVXQVGHDXAJ-GXTWGEPZSA-N 2 1 290.373 3.278 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC001473936786 937831222 /nfs/dbraw/zinc/83/12/22/937831222.db2.gz FNFCOVIEOBGVLL-NMBNSIPYSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC001473936786 937831224 /nfs/dbraw/zinc/83/12/24/937831224.db2.gz FNFCOVIEOBGVLL-NMBNSIPYSA-N 2 1 292.373 3.194 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001473952638 937831921 /nfs/dbraw/zinc/83/19/21/937831921.db2.gz LFGFHHVTKISGTL-FJIDUMEYSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1cccc(F)c1 ZINC001473985914 937833878 /nfs/dbraw/zinc/83/38/78/937833878.db2.gz ZWHJHGBJICKKPT-ZDUSSCGKSA-N 2 1 287.382 3.180 20 0 CGADMP c1[nH]nc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)ccc12 ZINC001474038443 937837108 /nfs/dbraw/zinc/83/71/08/937837108.db2.gz QYTDREJOPOEQLX-UHFFFAOYSA-N 2 1 298.434 3.060 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)c1 ZINC001474561030 937867225 /nfs/dbraw/zinc/86/72/25/937867225.db2.gz OOJAMJZAKUJKRX-HZPDHXFCSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)c1 ZINC001474561030 937867227 /nfs/dbraw/zinc/86/72/27/937867227.db2.gz OOJAMJZAKUJKRX-HZPDHXFCSA-N 2 1 262.441 3.244 20 0 CGADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC001515203103 938005078 /nfs/dbraw/zinc/00/50/78/938005078.db2.gz BITJMGPYRYPICJ-CZUORRHYSA-N 2 1 287.432 3.060 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001549775777 938159501 /nfs/dbraw/zinc/15/95/01/938159501.db2.gz USUBNRZEVSXTMN-ROUUACIJSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 ZINC001550354222 938166297 /nfs/dbraw/zinc/16/62/97/938166297.db2.gz YSGOHHOCIKMXMW-DJIMGWMZSA-N 2 1 258.409 3.125 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540378 938167487 /nfs/dbraw/zinc/16/74/87/938167487.db2.gz CJZYXKXWYVHFES-BFYDXBDKSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540378 938167488 /nfs/dbraw/zinc/16/74/88/938167488.db2.gz CJZYXKXWYVHFES-BFYDXBDKSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540378 938167489 /nfs/dbraw/zinc/16/74/89/938167489.db2.gz CJZYXKXWYVHFES-BFYDXBDKSA-N 2 1 276.399 3.160 20 0 CGADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001559547128 938229237 /nfs/dbraw/zinc/22/92/37/938229237.db2.gz OJXVSMSYRHKBJC-NXHRZFHOSA-N 2 1 276.468 3.230 20 0 CGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC001559720045 938233429 /nfs/dbraw/zinc/23/34/29/938233429.db2.gz GCJIYMIFGALJEY-HNNXBMFYSA-N 2 1 271.408 3.320 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1cccc(F)c1)C(C)C ZINC001560366958 938255241 /nfs/dbraw/zinc/25/52/41/938255241.db2.gz WPFAVJJTWPBYFH-UHFFFAOYSA-N 2 1 266.404 3.424 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C(F)F)[C@H](C)C1 ZINC001560637443 938267332 /nfs/dbraw/zinc/26/73/32/938267332.db2.gz CQUQJUIYVJUKFK-TZMCWYRMSA-N 2 1 285.382 3.045 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C(F)F)[C@H](C)C1 ZINC001560637443 938267333 /nfs/dbraw/zinc/26/73/33/938267333.db2.gz CQUQJUIYVJUKFK-TZMCWYRMSA-N 2 1 285.382 3.045 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C(F)F)[C@H](C)C1 ZINC001560637443 938267334 /nfs/dbraw/zinc/26/73/34/938267334.db2.gz CQUQJUIYVJUKFK-TZMCWYRMSA-N 2 1 285.382 3.045 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C(F)F)[C@H](C)C1 ZINC001560637443 938267336 /nfs/dbraw/zinc/26/73/36/938267336.db2.gz CQUQJUIYVJUKFK-TZMCWYRMSA-N 2 1 285.382 3.045 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001560652642 938267883 /nfs/dbraw/zinc/26/78/83/938267883.db2.gz FOGAXGOUCSDCEN-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001560652642 938267884 /nfs/dbraw/zinc/26/78/84/938267884.db2.gz FOGAXGOUCSDCEN-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001560652642 938267885 /nfs/dbraw/zinc/26/78/85/938267885.db2.gz FOGAXGOUCSDCEN-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC001560663379 938268639 /nfs/dbraw/zinc/26/86/39/938268639.db2.gz LAGBJXDROHQRKJ-AWEZNQCLSA-N 2 1 280.481 3.343 20 0 CGADMP COCC[N@@H+](CC(C(C)C)C(C)C)CC1CC[NH+](C)CC1 ZINC001560963021 938286646 /nfs/dbraw/zinc/28/66/46/938286646.db2.gz JOOJUGRZPVJRBI-UHFFFAOYSA-N 2 1 298.515 3.205 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222271280 960403866 /nfs/dbraw/zinc/40/38/66/960403866.db2.gz FDVVTHIBRWQHAP-KRWDZBQOSA-N 2 1 290.476 3.374 20 0 CGADMP CC(C)(C)OCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001575248926 962348982 /nfs/dbraw/zinc/34/89/82/962348982.db2.gz BZPSORZUEWUWQJ-WBVHZDCISA-N 2 1 296.499 3.421 20 0 CGADMP CC(C)(C)OCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001575248923 962349906 /nfs/dbraw/zinc/34/99/06/962349906.db2.gz BZPSORZUEWUWQJ-DOTOQJQBSA-N 2 1 296.499 3.421 20 0 CGADMP CC(C)C(C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC001575428432 962375817 /nfs/dbraw/zinc/37/58/17/962375817.db2.gz CHJQYMWZVZKWGQ-JQHSSLGASA-N 2 1 296.499 3.275 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC2(CCCC2)[C@H]1C(C)C ZINC001575423313 962376747 /nfs/dbraw/zinc/37/67/47/962376747.db2.gz RSQBORQWDMDQOF-LSDHHAIUSA-N 2 1 252.446 3.118 20 0 CGADMP CC(C)C(C[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1)C(C)C ZINC001575428891 962380814 /nfs/dbraw/zinc/38/08/14/962380814.db2.gz OWOIKNQYZSKBCN-NVXWUHKLSA-N 2 1 266.473 3.366 20 0 CGADMP CC(C)C[N@H+](Cc1sccc1N)CC1CC[NH+](C)CC1 ZINC001575595456 962398827 /nfs/dbraw/zinc/39/88/27/962398827.db2.gz QARSOPPMCRVPAU-UHFFFAOYSA-N 2 1 295.496 3.130 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001575859850 962415149 /nfs/dbraw/zinc/41/51/49/962415149.db2.gz SJQHTKZSVBEXJS-DLBZAZTESA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001575859850 962415158 /nfs/dbraw/zinc/41/51/58/962415158.db2.gz SJQHTKZSVBEXJS-DLBZAZTESA-N 2 1 258.409 3.123 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576435128 962456434 /nfs/dbraw/zinc/45/64/34/962456434.db2.gz PLNGKGFTJOUHJX-VQCLRJIVSA-N 2 1 250.430 3.159 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC001576435228 962460353 /nfs/dbraw/zinc/46/03/53/962460353.db2.gz SQYCHPNWEIONHF-HUUCEWRRSA-N 2 1 252.446 3.406 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC001576555975 962463540 /nfs/dbraw/zinc/46/35/40/962463540.db2.gz MBVMBMBSYPGSPM-CWRNSKLLSA-N 2 1 250.430 3.086 20 0 CGADMP C[C@]1(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001576502637 962466879 /nfs/dbraw/zinc/46/68/79/962466879.db2.gz DNGIJYBMPIYSDJ-MSOLQXFVSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001576524551 962467361 /nfs/dbraw/zinc/46/73/61/962467361.db2.gz SRPXXDPWPYYJGN-GOSISDBHSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001576584045 962473450 /nfs/dbraw/zinc/47/34/50/962473450.db2.gz SRTBVCOSQRHDEF-BXUZGUMPSA-N 2 1 286.341 3.308 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)[C@H]1CC[NH3+] ZINC001576708734 962481006 /nfs/dbraw/zinc/48/10/06/962481006.db2.gz IIZDREUJWFYKRG-DYVFJYSZSA-N 2 1 271.408 3.117 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001576809334 962488339 /nfs/dbraw/zinc/48/83/39/962488339.db2.gz UDGWQPDQAPJBMY-NXEZZACHSA-N 2 1 292.370 3.184 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC2([NH3+])CCOCC2)CC12CCCCC2 ZINC001576729145 962492925 /nfs/dbraw/zinc/49/29/25/962492925.db2.gz DSBKRBRMTMCOFB-MRXNPFEDSA-N 2 1 294.483 3.177 20 0 CGADMP CCC(CC)(C[NH3+])C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC001577051559 962511113 /nfs/dbraw/zinc/51/11/13/962511113.db2.gz VMXHMWLMUQTSQQ-HNNXBMFYSA-N 2 1 282.472 3.175 20 0 CGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)CCO2 ZINC001578265921 962582097 /nfs/dbraw/zinc/58/20/97/962582097.db2.gz QNCBZSNGJLVQHU-YSVLISHTSA-N 2 1 288.435 3.193 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC2(C[NH3+])CCC2)s1 ZINC001578289659 962588902 /nfs/dbraw/zinc/58/89/02/962588902.db2.gz ACEOTHFSYRPYLO-GFCCVEGCSA-N 2 1 281.469 3.136 20 0 CGADMP COCC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001579004793 962610810 /nfs/dbraw/zinc/61/08/10/962610810.db2.gz WETAXPFZEMGPQX-KOLCDFICSA-N 2 1 291.222 3.008 20 0 CGADMP C[C@]1(C[N@H+]2CCCC[C@@H]2CC[NH3+])C[C@@H]1c1ccccc1 ZINC001579509272 962628923 /nfs/dbraw/zinc/62/89/23/962628923.db2.gz DAIMZYWBICQRBP-KZNAEPCWSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1 ZINC001579395801 962629669 /nfs/dbraw/zinc/62/96/69/962629669.db2.gz OTRGDDLDTJRMJP-NURSFMCSSA-N 2 1 286.341 3.067 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)[C@@H]1CCC[NH3+] ZINC001579423284 962632162 /nfs/dbraw/zinc/63/21/62/962632162.db2.gz YJXFECRSJLFIJL-BXUZGUMPSA-N 2 1 299.821 3.214 20 0 CGADMP Cc1ccc(C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)o1 ZINC001579690776 962653950 /nfs/dbraw/zinc/65/39/50/962653950.db2.gz AFPIRJBHWNGFSH-GOOCMWNKSA-N 2 1 274.408 3.083 20 0 CGADMP Cc1ccc([C@H]2C[C@H](C)[N@H+](CC3(C[NH3+])CCC3)C2)cc1 ZINC001579677833 962654166 /nfs/dbraw/zinc/65/41/66/962654166.db2.gz DESDECINIIEQMV-RDJZCZTQSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc(CC[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)cc1C ZINC001579688171 962654983 /nfs/dbraw/zinc/65/49/83/962654983.db2.gz UKSIMFUORCJSKL-MOPGFXCFSA-N 2 1 286.463 3.297 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CCC2([NH3+])CCOCC2)c(C)c1 ZINC001579667781 962657359 /nfs/dbraw/zinc/65/73/59/962657359.db2.gz RUXGLPKBUQESDS-INIZCTEOSA-N 2 1 290.451 3.194 20 0 CGADMP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001579724139 962665092 /nfs/dbraw/zinc/66/50/92/962665092.db2.gz YERGPLVNPAGCJH-GXTWGEPZSA-N 2 1 298.377 3.013 20 0 CGADMP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001579724139 962665098 /nfs/dbraw/zinc/66/50/98/962665098.db2.gz YERGPLVNPAGCJH-GXTWGEPZSA-N 2 1 298.377 3.013 20 0 CGADMP Clc1ccc([C@@H]2CC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC001579938016 962681627 /nfs/dbraw/zinc/68/16/27/962681627.db2.gz KVYOHDNNAOREEI-HNNXBMFYSA-N 2 1 264.800 3.086 20 0 CGADMP Clc1cccc([C@H]2CCCC[N@@H+]2CC2C[NH2+]C2)c1 ZINC001579938718 962688872 /nfs/dbraw/zinc/68/88/72/962688872.db2.gz JVPQNPDVXQDMOD-OAHLLOKOSA-N 2 1 264.800 3.086 20 0 CGADMP Clc1cccc([C@H]2CCCC[N@H+]2CC2C[NH2+]C2)c1 ZINC001579938718 962688885 /nfs/dbraw/zinc/68/88/85/962688885.db2.gz JVPQNPDVXQDMOD-OAHLLOKOSA-N 2 1 264.800 3.086 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)CC1 ZINC001580243994 962703301 /nfs/dbraw/zinc/70/33/01/962703301.db2.gz NOJNAEZEIATCGC-AWEZNQCLSA-N 2 1 278.827 3.086 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC=C(c2ccccn2)C1 ZINC001580293184 962712649 /nfs/dbraw/zinc/71/26/49/962712649.db2.gz WCLASNUROMOGAK-UHFFFAOYSA-N 2 1 273.424 3.080 20 0 CGADMP [NH3+]CCC[N@@H+](C[C@H]1CC1(Cl)Cl)CC1CCCC1 ZINC001580297458 962713944 /nfs/dbraw/zinc/71/39/44/962713944.db2.gz STCNIRSQBBBOQY-GFCCVEGCSA-N 2 1 279.255 3.021 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC001580342720 962719122 /nfs/dbraw/zinc/71/91/22/962719122.db2.gz DYSXXJHPXFSBPI-GOSISDBHSA-N 2 1 298.405 3.349 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)s1 ZINC000621329886 349497335 /nfs/dbraw/zinc/49/73/35/349497335.db2.gz RRKWJXGOOASGFL-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000337523102 214137601 /nfs/dbraw/zinc/13/76/01/214137601.db2.gz QQFHAKWVFVKRNI-BZSNNMDCSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCC12CCOCC2 ZINC000651377887 398236086 /nfs/dbraw/zinc/23/60/86/398236086.db2.gz CCZLGMCYNODWMS-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651665049 398264634 /nfs/dbraw/zinc/26/46/34/398264634.db2.gz LJMCALQKXKOUCU-UHFFFAOYSA-N 2 1 289.423 3.430 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000651706242 398272616 /nfs/dbraw/zinc/27/26/16/398272616.db2.gz XYWBWFFDKBFPIA-HZPDHXFCSA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651730384 398277309 /nfs/dbraw/zinc/27/73/09/398277309.db2.gz JLAFQBUGIDNYFC-SJLPKXTDSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000651786583 398288085 /nfs/dbraw/zinc/28/80/85/398288085.db2.gz BITGHEYCRNBUSQ-SQWLQELKSA-N 2 1 261.413 3.004 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000125475865 187186923 /nfs/dbraw/zinc/18/69/23/187186923.db2.gz ZBDZEKCTMLIRNE-CYBMUJFWSA-N 2 1 274.433 3.285 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651823071 398294176 /nfs/dbraw/zinc/29/41/76/398294176.db2.gz UXPYEXDBLMJOJV-GWONACJQSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651911019 398305164 /nfs/dbraw/zinc/30/51/64/398305164.db2.gz XUFFAHRVGVEEIG-MXSMSXNCSA-N 2 1 270.420 3.067 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2C)[C@H](C)C1 ZINC000651911412 398305613 /nfs/dbraw/zinc/30/56/13/398305613.db2.gz XNOGSVSTYLVOHW-LAVFITLUSA-N 2 1 272.436 3.171 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000125898872 187204164 /nfs/dbraw/zinc/20/41/64/187204164.db2.gz FBLMANMPBFQKOD-KBPBESRZSA-N 2 1 250.386 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccco2)C1 ZINC000125898872 187204165 /nfs/dbraw/zinc/20/41/65/187204165.db2.gz FBLMANMPBFQKOD-KBPBESRZSA-N 2 1 250.386 3.051 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142530 192056574 /nfs/dbraw/zinc/05/65/74/192056574.db2.gz FHEAETDQJVKMCW-HZPDHXFCSA-N 2 1 290.451 3.304 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000423477352 529569036 /nfs/dbraw/zinc/56/90/36/529569036.db2.gz TVAOZWFWNGKCBF-CZUORRHYSA-N 2 1 260.381 3.457 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000623086252 349757299 /nfs/dbraw/zinc/75/72/99/349757299.db2.gz FEBFOSIXMRFKTH-UHFFFAOYSA-N 2 1 299.418 3.074 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414184660 529622097 /nfs/dbraw/zinc/62/20/97/529622097.db2.gz OBSAXFJNEPXOMC-HUUCEWRRSA-N 2 1 275.440 3.027 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335780 349780592 /nfs/dbraw/zinc/78/05/92/349780592.db2.gz CYBKKXMDYNCXRU-WBVHZDCISA-N 2 1 274.452 3.470 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2)CC1(C)C ZINC000623336539 349780781 /nfs/dbraw/zinc/78/07/81/349780781.db2.gz VGBHDOHHAXULEY-MRXNPFEDSA-N 2 1 260.425 3.082 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCOC1 ZINC000436285436 529614490 /nfs/dbraw/zinc/61/44/90/529614490.db2.gz OVMLCVWNGISRJB-NJAFHUGGSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000350893319 219068836 /nfs/dbraw/zinc/06/88/36/219068836.db2.gz GEOMNLJIHFQLTE-IAGOWNOFSA-N 2 1 294.483 3.047 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623372821 349792385 /nfs/dbraw/zinc/79/23/85/349792385.db2.gz HUPPCPCTGULMHI-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)CC(C)C ZINC000623353426 349786312 /nfs/dbraw/zinc/78/63/12/349786312.db2.gz LBJQSFJBNWHRRJ-SJORKVTESA-N 3 1 297.531 3.205 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273156719 192059997 /nfs/dbraw/zinc/05/99/97/192059997.db2.gz JIKHNPNEAHTSLR-OAHLLOKOSA-N 2 1 290.451 3.447 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CSCc3ccccc32)CC1(C)C ZINC000623381904 349795228 /nfs/dbraw/zinc/79/52/28/349795228.db2.gz NRWBUNSCKRLPFX-GDBMZVCRSA-N 2 1 290.476 3.437 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CSCc3ccccc32)CC1(C)C ZINC000623381904 349795230 /nfs/dbraw/zinc/79/52/30/349795230.db2.gz NRWBUNSCKRLPFX-GDBMZVCRSA-N 2 1 290.476 3.437 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623406086 349800379 /nfs/dbraw/zinc/80/03/79/349800379.db2.gz JJCIWIXZWIEFDH-HNNXBMFYSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623406086 349800381 /nfs/dbraw/zinc/80/03/81/349800381.db2.gz JJCIWIXZWIEFDH-HNNXBMFYSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)CC1(C)C ZINC000623446954 349811610 /nfs/dbraw/zinc/81/16/10/349811610.db2.gz YBXFBYWKAUQDHI-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CC[C@H]1CC[NH2+]C1)CCC2 ZINC000420366883 529747783 /nfs/dbraw/zinc/74/77/83/529747783.db2.gz UZCPPXZHOBFQPU-TZMCWYRMSA-N 2 1 293.480 3.014 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000351408250 219095194 /nfs/dbraw/zinc/09/51/94/219095194.db2.gz HBTHIDOWJBADCK-KRWDZBQOSA-N 2 1 282.472 3.142 20 0 CGADMP CCSc1cc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000623497079 349821036 /nfs/dbraw/zinc/82/10/36/349821036.db2.gz WDQKEQJWASUHAV-CQSZACIVSA-N 2 1 293.480 3.156 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000623497079 349821040 /nfs/dbraw/zinc/82/10/40/349821040.db2.gz WDQKEQJWASUHAV-CQSZACIVSA-N 2 1 293.480 3.156 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)CC1(C)C ZINC000623508172 349823334 /nfs/dbraw/zinc/82/33/34/349823334.db2.gz LMQCYRWKOYQJPI-AWEZNQCLSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)ccc2[nH]1 ZINC000623524533 349826699 /nfs/dbraw/zinc/82/66/99/349826699.db2.gz YKGZLKSNEFZXTB-INIZCTEOSA-N 2 1 285.435 3.439 20 0 CGADMP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623492880 349819948 /nfs/dbraw/zinc/81/99/48/349819948.db2.gz MYIUIKZZGDXLHX-MNOVXSKESA-N 2 1 266.351 3.180 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCc2ccccc21 ZINC000449377596 529800028 /nfs/dbraw/zinc/80/00/28/529800028.db2.gz PGXZBZICVGSXIX-MRXNPFEDSA-N 2 1 295.430 3.357 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)CC1(C)C ZINC000623544817 349830255 /nfs/dbraw/zinc/83/02/55/349830255.db2.gz MHNZIQNLISHTGF-GJZGRUSLSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351486408 219102840 /nfs/dbraw/zinc/10/28/40/219102840.db2.gz AHHAYJJHPCDPOL-GCOQZVFPSA-N 2 1 280.362 3.085 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351486410 219103141 /nfs/dbraw/zinc/10/31/41/219103141.db2.gz AHHAYJJHPCDPOL-SQWYCQTGSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351502070 219107934 /nfs/dbraw/zinc/10/79/34/219107934.db2.gz ZDHLJEKPMFNCHI-SLBVQIDZSA-N 2 1 297.402 3.072 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351502070 219107935 /nfs/dbraw/zinc/10/79/35/219107935.db2.gz ZDHLJEKPMFNCHI-SLBVQIDZSA-N 2 1 297.402 3.072 20 0 CGADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1Cl ZINC000623657571 349859677 /nfs/dbraw/zinc/85/96/77/349859677.db2.gz USGQNULSEGXDDZ-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP CC(C)C(C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000623657536 349859724 /nfs/dbraw/zinc/85/97/24/349859724.db2.gz TYHJQRFFIKUEJY-OAHLLOKOSA-N 2 1 254.462 3.236 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000623654564 349856241 /nfs/dbraw/zinc/85/62/41/349856241.db2.gz COORDLRYRQBYJL-AWEZNQCLSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000623655894 349856324 /nfs/dbraw/zinc/85/63/24/349856324.db2.gz ICLFDFDTYSXCIB-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000623655894 349856329 /nfs/dbraw/zinc/85/63/29/349856329.db2.gz ICLFDFDTYSXCIB-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000623655038 349857211 /nfs/dbraw/zinc/85/72/11/349857211.db2.gz MSIFLHIWPAURID-AWEZNQCLSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@H]1C ZINC000623657209 349858033 /nfs/dbraw/zinc/85/80/33/349858033.db2.gz LGZICMFVYKNUHJ-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)CC[N@@H+]1C ZINC000128107309 187352342 /nfs/dbraw/zinc/35/23/42/187352342.db2.gz PMTJPXUTWUEELP-PXZKZTPFSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)CC[N@H+]1C ZINC000128107309 187352344 /nfs/dbraw/zinc/35/23/44/187352344.db2.gz PMTJPXUTWUEELP-PXZKZTPFSA-N 2 1 258.409 3.005 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423256161 529985966 /nfs/dbraw/zinc/98/59/66/529985966.db2.gz BJQQIAXTNCKANO-IAQYHMDHSA-N 2 1 296.842 3.307 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000423284386 529986255 /nfs/dbraw/zinc/98/62/55/529986255.db2.gz YILBBZZAZWDIBG-UKRRQHHQSA-N 2 1 252.402 3.202 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423280011 529999335 /nfs/dbraw/zinc/99/93/35/529999335.db2.gz UATSNVCWKKJZKI-KSSFIOAISA-N 2 1 286.394 3.360 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000414174047 530055165 /nfs/dbraw/zinc/05/51/65/530055165.db2.gz GKLYTVJUIJSUMZ-YJBOKZPZSA-N 2 1 272.436 3.459 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000040622195 344964146 /nfs/dbraw/zinc/96/41/46/344964146.db2.gz FDFFPLXVIIHZTI-CVEARBPZSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000075766442 232176245 /nfs/dbraw/zinc/17/62/45/232176245.db2.gz ICZMDLXGUOHABO-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000075766442 232176248 /nfs/dbraw/zinc/17/62/48/232176248.db2.gz ICZMDLXGUOHABO-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000075766442 232176249 /nfs/dbraw/zinc/17/62/49/232176249.db2.gz ICZMDLXGUOHABO-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000075766442 232176252 /nfs/dbraw/zinc/17/62/52/232176252.db2.gz ICZMDLXGUOHABO-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC000081630101 345716405 /nfs/dbraw/zinc/71/64/05/345716405.db2.gz DMHIREVKWLFHPC-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000081630101 345716408 /nfs/dbraw/zinc/71/64/08/345716408.db2.gz DMHIREVKWLFHPC-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000081630101 345716411 /nfs/dbraw/zinc/71/64/11/345716411.db2.gz DMHIREVKWLFHPC-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccnc1 ZINC000091333259 345810504 /nfs/dbraw/zinc/81/05/04/345810504.db2.gz WWAKIAWKINDWBG-SJLPKXTDSA-N 2 1 289.467 3.489 20 0 CGADMP CC(C)C1CCC(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000090576698 345790870 /nfs/dbraw/zinc/79/08/70/345790870.db2.gz SKHFAWOSXUKFMW-UHFFFAOYSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)c1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000122533617 346006067 /nfs/dbraw/zinc/00/60/67/346006067.db2.gz JFQOTELEBHGCIU-KRWDZBQOSA-N 2 1 274.452 3.284 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C/C=C/C[NH+]1CCCC[C@@H]1C ZINC000132668741 346073117 /nfs/dbraw/zinc/07/31/17/346073117.db2.gz DYQIWAYNOSOMIZ-COAGQGPPSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1C/C=C/C[NH+]1CCCC[C@@H]1C ZINC000132668741 346073118 /nfs/dbraw/zinc/07/31/18/346073118.db2.gz DYQIWAYNOSOMIZ-COAGQGPPSA-N 2 1 250.430 3.291 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000177844925 232376458 /nfs/dbraw/zinc/37/64/58/232376458.db2.gz BFIGJFUEMQKAPF-KSSFIOAISA-N 2 1 299.418 3.400 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000161523714 346176045 /nfs/dbraw/zinc/17/60/45/346176045.db2.gz PXBZWTLVNQWNIL-HOTGVXAUSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000161523714 346176047 /nfs/dbraw/zinc/17/60/47/346176047.db2.gz PXBZWTLVNQWNIL-HOTGVXAUSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000167061323 346188312 /nfs/dbraw/zinc/18/83/12/346188312.db2.gz RBUIEOIEYZQBAP-KBXCAEBGSA-N 2 1 299.418 3.400 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000174206986 346239237 /nfs/dbraw/zinc/23/92/37/346239237.db2.gz FXNRNJCWQTZMCW-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC(C)(C)C)C1 ZINC000237637267 346347438 /nfs/dbraw/zinc/34/74/38/346347438.db2.gz HGWFGLYEAMXBGL-GASCZTMLSA-N 2 1 254.462 3.380 20 0 CGADMP CC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248374586 346375551 /nfs/dbraw/zinc/37/55/51/346375551.db2.gz RQSNDNGVOCDJAJ-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000249554934 346382400 /nfs/dbraw/zinc/38/24/00/346382400.db2.gz LSAXQBBSVRMZHP-PBHICJAKSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1C(C)C ZINC000250964916 346387060 /nfs/dbraw/zinc/38/70/60/346387060.db2.gz XJPZKNNDUGQOPQ-HZPDHXFCSA-N 2 1 290.451 3.309 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000251019923 346387416 /nfs/dbraw/zinc/38/74/16/346387416.db2.gz MFESWFCYOVUYTI-ZACQAIPSSA-N 2 1 272.436 3.499 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000251019923 346387419 /nfs/dbraw/zinc/38/74/19/346387419.db2.gz MFESWFCYOVUYTI-ZACQAIPSSA-N 2 1 272.436 3.499 20 0 CGADMP CCC1(CC)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351738377 219192584 /nfs/dbraw/zinc/19/25/84/219192584.db2.gz KKPVFNPZDCKRRQ-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CCC1(CC)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351738377 219192586 /nfs/dbraw/zinc/19/25/86/219192586.db2.gz KKPVFNPZDCKRRQ-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CCC1(CC)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351738377 219192589 /nfs/dbraw/zinc/19/25/89/219192589.db2.gz KKPVFNPZDCKRRQ-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000624119605 349975611 /nfs/dbraw/zinc/97/56/11/349975611.db2.gz FWMFLGRGRGZTIK-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000624119605 349975615 /nfs/dbraw/zinc/97/56/15/349975615.db2.gz FWMFLGRGRGZTIK-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000598964785 347701637 /nfs/dbraw/zinc/70/16/37/347701637.db2.gz RKYHBKULCMMEHG-HZSPNIEDSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000351863943 219229445 /nfs/dbraw/zinc/22/94/45/219229445.db2.gz VWVWURQEEPAOMI-YJBOKZPZSA-N 2 1 298.430 3.278 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000624120467 349976711 /nfs/dbraw/zinc/97/67/11/349976711.db2.gz ZXRLUKXBYIFFBN-YJBOKZPZSA-N 2 1 290.451 3.468 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624120643 349976750 /nfs/dbraw/zinc/97/67/50/349976750.db2.gz DDOREPXJCYBIKI-KSSFIOAISA-N 2 1 288.435 3.004 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120098 349977342 /nfs/dbraw/zinc/97/73/42/349977342.db2.gz RGHIRDAEJSNEDH-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120953 349979016 /nfs/dbraw/zinc/97/90/16/349979016.db2.gz KQBYRZFKEQABIZ-KGLIPLIRSA-N 2 1 266.454 3.001 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120984 349977990 /nfs/dbraw/zinc/97/79/90/349977990.db2.gz LGUIHJUJKZGMNS-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000624123146 349981316 /nfs/dbraw/zinc/98/13/16/349981316.db2.gz GNHOMJQOENPFAN-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000624122073 349980487 /nfs/dbraw/zinc/98/04/87/349980487.db2.gz JESBQDSLNDQZDR-FAEJEUNOSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000624122496 349981932 /nfs/dbraw/zinc/98/19/32/349981932.db2.gz SRLMNRKFRBHTBA-MAUKXSAKSA-N 2 1 272.436 3.459 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCCC1 ZINC000624123177 349982297 /nfs/dbraw/zinc/98/22/97/349982297.db2.gz HFSOYBSKCQEZOX-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000339408238 215151474 /nfs/dbraw/zinc/15/14/74/215151474.db2.gz WJPZFUBVCSQVHK-PVAVHDDUSA-N 2 1 260.425 3.095 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901177 348205569 /nfs/dbraw/zinc/20/55/69/348205569.db2.gz KFHVROBCOYDNDR-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000608061449 348280734 /nfs/dbraw/zinc/28/07/34/348280734.db2.gz CISJOXBPRQTYEN-WMLDXEAASA-N 2 1 260.425 3.211 20 0 CGADMP C/C=C/C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624198751 349999887 /nfs/dbraw/zinc/99/98/87/349999887.db2.gz XAUYOBMTRPPEFA-NGVREJPNSA-N 2 1 270.420 3.348 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)[nH+]c2c1 ZINC000613537266 348616205 /nfs/dbraw/zinc/61/62/05/348616205.db2.gz JQLAJOHWVRRVGX-CVEARBPZSA-N 2 1 295.430 3.312 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)[nH+]c2c1 ZINC000613537266 348616208 /nfs/dbraw/zinc/61/62/08/348616208.db2.gz JQLAJOHWVRRVGX-CVEARBPZSA-N 2 1 295.430 3.312 20 0 CGADMP CC(C)[C@@H](C)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)C(C)C ZINC000613628943 348623877 /nfs/dbraw/zinc/62/38/77/348623877.db2.gz BURAMHCDSIYHMR-YQYKAEFUSA-N 2 1 254.462 3.495 20 0 CGADMP CC(C)[C@@H](C)[N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)C(C)C ZINC000613628943 348623879 /nfs/dbraw/zinc/62/38/79/348623879.db2.gz BURAMHCDSIYHMR-YQYKAEFUSA-N 2 1 254.462 3.495 20 0 CGADMP CC(C)[C@@H](C)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)C(C)C ZINC000613628943 348623881 /nfs/dbraw/zinc/62/38/81/348623881.db2.gz BURAMHCDSIYHMR-YQYKAEFUSA-N 2 1 254.462 3.495 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000358083964 233055640 /nfs/dbraw/zinc/05/56/40/233055640.db2.gz LJAWBUCEXRAHGO-FVWHLNICSA-N 2 1 287.451 3.242 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000624213872 350003659 /nfs/dbraw/zinc/00/36/59/350003659.db2.gz IEWQVJUZSNGLMB-HNNXBMFYSA-N 2 1 298.434 3.074 20 0 CGADMP CCO[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000625318630 350157991 /nfs/dbraw/zinc/15/79/91/350157991.db2.gz FTCKQPFTYQCALJ-UWWQBHOKSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351283 191089921 /nfs/dbraw/zinc/08/99/21/191089921.db2.gz YMFNRQSKFKPSKE-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351283 191089925 /nfs/dbraw/zinc/08/99/25/191089925.db2.gz YMFNRQSKFKPSKE-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351283 191089926 /nfs/dbraw/zinc/08/99/26/191089926.db2.gz YMFNRQSKFKPSKE-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[C@]1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCS1 ZINC000628190779 350433291 /nfs/dbraw/zinc/43/32/91/350433291.db2.gz QBXRVUBXJLPTHK-DJIMGWMZSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCS1 ZINC000628190779 350433292 /nfs/dbraw/zinc/43/32/92/350433292.db2.gz QBXRVUBXJLPTHK-DJIMGWMZSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCS1 ZINC000628190779 350433295 /nfs/dbraw/zinc/43/32/95/350433295.db2.gz QBXRVUBXJLPTHK-DJIMGWMZSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCS1 ZINC000628190779 350433297 /nfs/dbraw/zinc/43/32/97/350433297.db2.gz QBXRVUBXJLPTHK-DJIMGWMZSA-N 2 1 294.508 3.221 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3[nH]ccc3c2)C[C@@H]1C ZINC000628183269 350427195 /nfs/dbraw/zinc/42/71/95/350427195.db2.gz VNPAVRIIGVDXNY-WMLDXEAASA-N 2 1 285.435 3.473 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000628217086 350445328 /nfs/dbraw/zinc/44/53/28/350445328.db2.gz KHHNUBHDLNQAAW-FGTMMUONSA-N 2 1 296.499 3.029 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000628234998 350456552 /nfs/dbraw/zinc/45/65/52/350456552.db2.gz VJXDYVDPXIYHGL-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000628234998 350456555 /nfs/dbraw/zinc/45/65/55/350456555.db2.gz VJXDYVDPXIYHGL-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000628234998 350456557 /nfs/dbraw/zinc/45/65/57/350456557.db2.gz VJXDYVDPXIYHGL-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000628234998 350456561 /nfs/dbraw/zinc/45/65/61/350456561.db2.gz VJXDYVDPXIYHGL-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(C)o2)c1 ZINC000628204616 350439748 /nfs/dbraw/zinc/43/97/48/350439748.db2.gz GABKBIDRFCFWTH-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000628278471 350475401 /nfs/dbraw/zinc/47/54/01/350475401.db2.gz RMSAIYUALSWSPR-IRXDYDNUSA-N 2 1 274.452 3.418 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628425137 350535924 /nfs/dbraw/zinc/53/59/24/350535924.db2.gz BJIMKRBYLVFIDB-IAGOWNOFSA-N 2 1 274.452 3.420 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000629527800 350702943 /nfs/dbraw/zinc/70/29/43/350702943.db2.gz GOILKURCUSAKRW-VVLHAWIVSA-N 2 1 287.451 3.146 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000629528102 350703170 /nfs/dbraw/zinc/70/31/70/350703170.db2.gz PGHDXCXPSOFZSQ-HOCLYGCPSA-N 2 1 289.467 3.327 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2c1 ZINC000629537811 350705818 /nfs/dbraw/zinc/70/58/18/350705818.db2.gz LSQIGFKMPIUOCJ-BEFAXECRSA-N 2 1 297.446 3.493 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000629540486 350707501 /nfs/dbraw/zinc/70/75/01/350707501.db2.gz UYRAUTAXHOVFPX-RDTXWAMCSA-N 2 1 289.467 3.463 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629546912 350710579 /nfs/dbraw/zinc/71/05/79/350710579.db2.gz YVSWKBWEWJXXCL-YBXAARCKSA-N 2 1 284.856 3.234 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000629390921 350687373 /nfs/dbraw/zinc/68/73/73/350687373.db2.gz ZGCRPKZGTWAAIB-HYVNUMGLSA-N 2 1 260.425 3.046 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000629389422 350687397 /nfs/dbraw/zinc/68/73/97/350687397.db2.gz XQAYCTGEJKIEEV-LUKYLMHMSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396376 350688331 /nfs/dbraw/zinc/68/83/31/350688331.db2.gz LJKCZBVTAXSRCR-JMSVASOKSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000629407684 350689125 /nfs/dbraw/zinc/68/91/25/350689125.db2.gz HYTNBPNKCHMEFF-KSZJFAHPSA-N 2 1 278.827 3.316 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2c1 ZINC000629510326 350698658 /nfs/dbraw/zinc/69/86/58/350698658.db2.gz SNVBPZILQAXUNJ-UHFFFAOYSA-N 2 1 295.430 3.260 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2c1 ZINC000629510326 350698663 /nfs/dbraw/zinc/69/86/63/350698663.db2.gz SNVBPZILQAXUNJ-UHFFFAOYSA-N 2 1 295.430 3.260 20 0 CGADMP CCc1nc(C(C)C)ccc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000629513011 350700096 /nfs/dbraw/zinc/70/00/96/350700096.db2.gz DPFKHILHHFUFLP-QGZVFWFLSA-N 2 1 277.456 3.230 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2c1 ZINC000629518909 350700721 /nfs/dbraw/zinc/70/07/21/350700721.db2.gz MSXJRXSACWVUFX-RYQLBKOJSA-N 2 1 295.430 3.102 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc(C)c1C ZINC000631064951 350940743 /nfs/dbraw/zinc/94/07/43/350940743.db2.gz VRDFTXRSPWFIKR-NSHDSACASA-N 2 1 277.437 3.296 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CC1(C)C ZINC000631306545 351021173 /nfs/dbraw/zinc/02/11/73/351021173.db2.gz HUPLBYLTSLFCRM-CQSZACIVSA-N 2 1 271.408 3.130 20 0 CGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000631565163 351068569 /nfs/dbraw/zinc/06/85/69/351068569.db2.gz DFFNZTAJHVZPHP-KRWDZBQOSA-N 2 1 276.424 3.002 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(C)ccn1 ZINC000631569573 351069548 /nfs/dbraw/zinc/06/95/48/351069548.db2.gz KJNJDUZJNQOSRE-IKGGRYGDSA-N 2 1 287.451 3.448 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(C)ccn1 ZINC000631569573 351069550 /nfs/dbraw/zinc/06/95/50/351069550.db2.gz KJNJDUZJNQOSRE-IKGGRYGDSA-N 2 1 287.451 3.448 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840751 351150545 /nfs/dbraw/zinc/15/05/45/351150545.db2.gz VEFZWRIJQRGWLX-JFGNBEQYSA-N 2 1 270.779 3.067 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840751 351150548 /nfs/dbraw/zinc/15/05/48/351150548.db2.gz VEFZWRIJQRGWLX-JFGNBEQYSA-N 2 1 270.779 3.067 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000634678355 351563526 /nfs/dbraw/zinc/56/35/26/351563526.db2.gz QEVHKHFLHJQQPG-DLBZAZTESA-N 2 1 296.499 3.290 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)CC(C)C ZINC000634678489 351564053 /nfs/dbraw/zinc/56/40/53/351564053.db2.gz VOQWMKQPIYJSLG-HOTGVXAUSA-N 2 1 284.488 3.290 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3ncccc13)CC[NH2+]CC2 ZINC000634688018 351573568 /nfs/dbraw/zinc/57/35/68/351573568.db2.gz FPVWMDBXKRRBOQ-OAHLLOKOSA-N 2 1 295.430 3.199 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1F ZINC000635010253 351628074 /nfs/dbraw/zinc/62/80/74/351628074.db2.gz RHTMVJXFFDPZSW-CWRNSKLLSA-N 2 1 294.389 3.365 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795335 188162622 /nfs/dbraw/zinc/16/26/22/188162622.db2.gz SNYBEDBBHVYKRB-YQQAZPJKSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795335 188162623 /nfs/dbraw/zinc/16/26/23/188162623.db2.gz SNYBEDBBHVYKRB-YQQAZPJKSA-N 2 1 298.434 3.006 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cncc(F)c1)C(C)C ZINC000155835752 188230548 /nfs/dbraw/zinc/23/05/48/188230548.db2.gz XEHZBQACSLBNHI-AWEZNQCLSA-N 2 1 281.419 3.380 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156334303 188255437 /nfs/dbraw/zinc/25/54/37/188255437.db2.gz QPABORIDYYKDAX-CLCXKQKWSA-N 2 1 299.462 3.419 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000271738265 191298803 /nfs/dbraw/zinc/29/88/03/191298803.db2.gz BTKAWGHTJQRFAB-UHFFFAOYSA-N 2 1 277.799 3.370 20 0 CGADMP Fc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860159 283029651 /nfs/dbraw/zinc/02/96/51/283029651.db2.gz YGSWVYGFYDRRAP-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860159 283029652 /nfs/dbraw/zinc/02/96/52/283029652.db2.gz YGSWVYGFYDRRAP-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860159 283029653 /nfs/dbraw/zinc/02/96/53/283029653.db2.gz YGSWVYGFYDRRAP-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860159 283029654 /nfs/dbraw/zinc/02/96/54/283029654.db2.gz YGSWVYGFYDRRAP-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)s1 ZINC000271823895 191349364 /nfs/dbraw/zinc/34/93/64/191349364.db2.gz CRXIVHVMCFPCJL-LBPRGKRZSA-N 2 1 264.438 3.277 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000414226494 235368928 /nfs/dbraw/zinc/36/89/28/235368928.db2.gz VQKJCZRDUWUIFO-UAGQMJEPSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000414226494 235368929 /nfs/dbraw/zinc/36/89/29/235368929.db2.gz VQKJCZRDUWUIFO-UAGQMJEPSA-N 2 1 272.436 3.428 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000336353432 213201504 /nfs/dbraw/zinc/20/15/04/213201504.db2.gz NLJYOSIYZUQZBC-CABCVRRESA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000336353432 213201506 /nfs/dbraw/zinc/20/15/06/213201506.db2.gz NLJYOSIYZUQZBC-CABCVRRESA-N 2 1 278.827 3.365 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)CCOc2ccccc2Cl)CC[NH2+]1 ZINC000414684782 235451145 /nfs/dbraw/zinc/45/11/45/235451145.db2.gz WSTMLZWIIGDELB-UONOGXRCSA-N 2 1 296.842 3.039 20 0 CGADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000124758698 138377635 /nfs/dbraw/zinc/37/76/35/138377635.db2.gz LKBXFAAZLOESJW-JTQLQIEISA-N 2 1 258.768 3.081 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000124758698 138377636 /nfs/dbraw/zinc/37/76/36/138377636.db2.gz LKBXFAAZLOESJW-JTQLQIEISA-N 2 1 258.768 3.081 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000123978559 138372010 /nfs/dbraw/zinc/37/20/10/138372010.db2.gz RWOZNSMMVWVXNL-CQSZACIVSA-N 2 1 260.425 3.417 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000130130294 138399137 /nfs/dbraw/zinc/39/91/37/138399137.db2.gz FLPKOBRCHHZDPD-MELADBBJSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000130130294 138399138 /nfs/dbraw/zinc/39/91/38/138399138.db2.gz FLPKOBRCHHZDPD-MELADBBJSA-N 2 1 262.372 3.103 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c1OC ZINC000423260642 236013116 /nfs/dbraw/zinc/01/31/16/236013116.db2.gz HVFAWPBJOXTDJV-KBPBESRZSA-N 2 1 294.439 3.036 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)CCS2 ZINC000423279478 236019351 /nfs/dbraw/zinc/01/93/51/236019351.db2.gz SAHQWTOIILNVBX-GJZGRUSLSA-N 2 1 278.465 3.413 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423281308 236020613 /nfs/dbraw/zinc/02/06/13/236020613.db2.gz UEQYBFSTRXUNCA-JKSUJKDBSA-N 2 1 258.409 3.008 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423314685 236035928 /nfs/dbraw/zinc/03/59/28/236035928.db2.gz HNJCWINMMQCMGE-GJZGRUSLSA-N 2 1 264.800 3.044 20 0 CGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423329199 236039748 /nfs/dbraw/zinc/03/97/48/236039748.db2.gz OQMMKEWWCYWVKJ-ZIAGYGMSSA-N 2 1 284.403 3.360 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2ccccc2n1 ZINC000423341789 236044179 /nfs/dbraw/zinc/04/41/79/236044179.db2.gz WXSUPVGRLPWWIW-KBXCAEBGSA-N 2 1 283.419 3.275 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423380357 236056081 /nfs/dbraw/zinc/05/60/81/236056081.db2.gz YLXZFHNHAZWOCU-HZMBPMFUSA-N 2 1 252.789 3.118 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)[C@@H](C)C1CCCCC1 ZINC000423487152 236084326 /nfs/dbraw/zinc/08/43/26/236084326.db2.gz VFQNAISZIIZIDF-IPYPFGDCSA-N 2 1 288.426 3.426 20 0 CGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423501721 236087886 /nfs/dbraw/zinc/08/78/86/236087886.db2.gz LNDQQMMUBNTWPP-LBTNJELSSA-N 2 1 290.451 3.294 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000424367818 236157515 /nfs/dbraw/zinc/15/75/15/236157515.db2.gz NZCVRDNBWSDBGA-CHWSQXEVSA-N 2 1 290.304 3.204 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2csc(C)c2)CC1 ZINC000294789473 199183316 /nfs/dbraw/zinc/18/33/16/199183316.db2.gz KNWYPOKWJCTKGW-UHFFFAOYSA-N 2 1 266.454 3.363 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2csc(C)c2)CC1 ZINC000294789473 199183318 /nfs/dbraw/zinc/18/33/18/199183318.db2.gz KNWYPOKWJCTKGW-UHFFFAOYSA-N 2 1 266.454 3.363 20 0 CGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000437585361 237303436 /nfs/dbraw/zinc/30/34/36/237303436.db2.gz VZWXFWUMQIJNPU-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP Cc1cc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc2[nH]1 ZINC000297298935 200139898 /nfs/dbraw/zinc/13/98/98/200139898.db2.gz AGYWTHDDCUHJSB-UHFFFAOYSA-N 2 1 283.419 3.193 20 0 CGADMP C[C@@H]([NH2+]CCCCCF)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000341906987 216146564 /nfs/dbraw/zinc/14/65/64/216146564.db2.gz VUNXXJQSNOMTHD-HUUCEWRRSA-N 2 1 270.436 3.369 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000177295516 189042694 /nfs/dbraw/zinc/04/26/94/189042694.db2.gz NXNGESDJQHJXGE-JKSUJKDBSA-N 2 1 285.435 3.439 20 0 CGADMP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000177947105 189081066 /nfs/dbraw/zinc/08/10/66/189081066.db2.gz GNCQRVOBXUSXAK-JZXOWHBKSA-N 2 1 290.451 3.001 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2ccccc2n1 ZINC000178414726 189114409 /nfs/dbraw/zinc/11/44/09/189114409.db2.gz HMNOYHJTVQCIBO-OAHLLOKOSA-N 2 1 283.419 3.371 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178699742 189138389 /nfs/dbraw/zinc/13/83/89/189138389.db2.gz VRXHBKCRYBELBB-KBPBESRZSA-N 2 1 287.407 3.187 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000178703765 189138672 /nfs/dbraw/zinc/13/86/72/189138672.db2.gz DURPOOJFKGNUOE-KDOFPFPSSA-N 2 1 283.419 3.413 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccsc1 ZINC000178706226 189138912 /nfs/dbraw/zinc/13/89/12/189138912.db2.gz QDHYLVUYBCECQT-NWDGAFQWSA-N 2 1 263.410 3.240 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000178785745 189145843 /nfs/dbraw/zinc/14/58/43/189145843.db2.gz GECBPMBEUOJPGS-AWEZNQCLSA-N 2 1 299.418 3.257 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000179616818 189207991 /nfs/dbraw/zinc/20/79/91/189207991.db2.gz QHTWKICHTMTSFO-JSGCOSHPSA-N 2 1 298.377 3.423 20 0 CGADMP CC/C=C/CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000342268917 216285037 /nfs/dbraw/zinc/28/50/37/216285037.db2.gz DHIMNLSPFHFBLF-ONEGZZNKSA-N 2 1 250.430 3.293 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)nc1 ZINC000181384807 189295500 /nfs/dbraw/zinc/29/55/00/189295500.db2.gz QRJAVFISPDGDJH-LBPRGKRZSA-N 2 1 293.842 3.260 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2cccc(F)c2)CC[N@@H+]1C ZINC000182824597 189336201 /nfs/dbraw/zinc/33/62/01/189336201.db2.gz NZZDSVLJWPIUGV-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2cccc(F)c2)CC[N@H+]1C ZINC000182824597 189336202 /nfs/dbraw/zinc/33/62/02/189336202.db2.gz NZZDSVLJWPIUGV-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2cccc(F)c2)CC[NH+]1C ZINC000182824597 189336203 /nfs/dbraw/zinc/33/62/03/189336203.db2.gz NZZDSVLJWPIUGV-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2cccc(F)c2)CC[NH+]1C ZINC000182824597 189336204 /nfs/dbraw/zinc/33/62/04/189336204.db2.gz NZZDSVLJWPIUGV-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000183299715 189353985 /nfs/dbraw/zinc/35/39/85/189353985.db2.gz FCFNRCKBOJGWKX-GOEBONIOSA-N 2 1 278.415 3.030 20 0 CGADMP Cc1cccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449051962 239144962 /nfs/dbraw/zinc/14/49/62/239144962.db2.gz YKOWEGMIYZAFHL-UYAOXDASSA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H](C[NH2+]Cc1cc2cccnc2o1)C[NH+]1CCCCC1 ZINC000449093660 239174319 /nfs/dbraw/zinc/17/43/19/239174319.db2.gz WVXMZOFNGALIED-AWEZNQCLSA-N 2 1 287.407 3.039 20 0 CGADMP CC[N@@H+](CCCCn1ccnc1C)[C@H](C)C(C)C ZINC000120426262 370766839 /nfs/dbraw/zinc/76/68/39/370766839.db2.gz DHEZWGAMDFWWGM-CQSZACIVSA-N 2 1 251.418 3.338 20 0 CGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)C(C)C ZINC000120426262 370766845 /nfs/dbraw/zinc/76/68/45/370766845.db2.gz DHEZWGAMDFWWGM-CQSZACIVSA-N 2 1 251.418 3.338 20 0 CGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)C(C)C ZINC000120426262 370766848 /nfs/dbraw/zinc/76/68/48/370766848.db2.gz DHEZWGAMDFWWGM-CQSZACIVSA-N 2 1 251.418 3.338 20 0 CGADMP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc[nH+]1 ZINC000450813409 240095433 /nfs/dbraw/zinc/09/54/33/240095433.db2.gz SGMXVMQAFMTZSL-MRXNPFEDSA-N 2 1 295.430 3.348 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ccoc21 ZINC000335581667 212292871 /nfs/dbraw/zinc/29/28/71/212292871.db2.gz QBNNONZHJIUDAE-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ccoc21 ZINC000335581667 212292872 /nfs/dbraw/zinc/29/28/72/212292872.db2.gz QBNNONZHJIUDAE-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2ccoc21 ZINC000335581667 212292874 /nfs/dbraw/zinc/29/28/74/212292874.db2.gz QBNNONZHJIUDAE-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2ccoc21 ZINC000335581667 212292878 /nfs/dbraw/zinc/29/28/78/212292878.db2.gz QBNNONZHJIUDAE-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc2n1 ZINC000275624302 193089222 /nfs/dbraw/zinc/08/92/22/193089222.db2.gz PEEXTOUFOASMLY-RTBURBONSA-N 2 1 295.430 3.260 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)ccc2n1 ZINC000275624302 193089224 /nfs/dbraw/zinc/08/92/24/193089224.db2.gz PEEXTOUFOASMLY-RTBURBONSA-N 2 1 295.430 3.260 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000275637416 193092702 /nfs/dbraw/zinc/09/27/02/193092702.db2.gz UTZVQIDEANNJSD-PBHICJAKSA-N 2 1 276.399 3.146 20 0 CGADMP c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC[NH2+]CC2)cc1 ZINC000455643448 241304563 /nfs/dbraw/zinc/30/45/63/241304563.db2.gz SQWXSGYITXNTNZ-IHWFROFDSA-N 2 1 298.474 3.472 20 0 CGADMP COc1ccc2cc(C[NH+]3CCC4(CC[NH2+]4)CC3)ccc2c1 ZINC000335561673 212269676 /nfs/dbraw/zinc/26/96/76/212269676.db2.gz ONXVEEWXVLGEOW-UHFFFAOYSA-N 2 1 296.414 3.176 20 0 CGADMP C[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000459770774 242223226 /nfs/dbraw/zinc/22/32/26/242223226.db2.gz HSYYCLUHBWDUOC-UONOGXRCSA-N 2 1 296.405 3.390 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459775462 242225977 /nfs/dbraw/zinc/22/59/77/242225977.db2.gz WQROSMZBJRBCFJ-HUUCEWRRSA-N 2 1 282.472 3.043 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1F ZINC000459783540 242232388 /nfs/dbraw/zinc/23/23/88/242232388.db2.gz NKNXGUJQFJDJFL-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000462802691 242364623 /nfs/dbraw/zinc/36/46/23/242364623.db2.gz MJIBBSLBDXLDTA-HOTGVXAUSA-N 2 1 292.854 3.407 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479484219 243107390 /nfs/dbraw/zinc/10/73/90/243107390.db2.gz AATTUJISIHEUQO-KCMWZYNZSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000479484219 243107395 /nfs/dbraw/zinc/10/73/95/243107395.db2.gz AATTUJISIHEUQO-KCMWZYNZSA-N 2 1 290.426 3.392 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000480599710 243156347 /nfs/dbraw/zinc/15/63/47/243156347.db2.gz CLVJXWWHORMPIQ-LZWOXQAQSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1(C)CC1 ZINC000480699595 243162447 /nfs/dbraw/zinc/16/24/47/243162447.db2.gz QDFNXLNCNXGXFD-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CCCC1 ZINC000480145219 243139780 /nfs/dbraw/zinc/13/97/80/243139780.db2.gz XRNDIDRKAJRGNK-GOSISDBHSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000482022290 243214673 /nfs/dbraw/zinc/21/46/73/243214673.db2.gz QRQHXVOOGWHYFH-NVXWUHKLSA-N 2 1 274.452 3.202 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccs1 ZINC000019912946 368782232 /nfs/dbraw/zinc/78/22/32/368782232.db2.gz NWKWCHJHDZVJRO-ZDUSSCGKSA-N 2 1 252.427 3.102 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000036996420 369047017 /nfs/dbraw/zinc/04/70/17/369047017.db2.gz BIRAQLCPVXAGPZ-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000036996420 369047022 /nfs/dbraw/zinc/04/70/22/369047022.db2.gz BIRAQLCPVXAGPZ-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP Cc1cc(OCC[N@@H+](C)C2CC[NH2+]CC2)ccc1C(C)C ZINC000036301260 369015993 /nfs/dbraw/zinc/01/59/93/369015993.db2.gz ZTEVFNQPXQJBFX-UHFFFAOYSA-N 2 1 290.451 3.181 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000035010573 368987636 /nfs/dbraw/zinc/98/76/36/368987636.db2.gz SPQHABRJFXYFGN-HNNXBMFYSA-N 2 1 260.425 3.438 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000035016047 368989524 /nfs/dbraw/zinc/98/95/24/368989524.db2.gz LKSQXAGSBRGNPR-QGZVFWFLSA-N 2 1 260.425 3.458 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000037122865 369064451 /nfs/dbraw/zinc/06/44/51/369064451.db2.gz UDGKRZSJWZSYDB-LBPRGKRZSA-N 2 1 266.454 3.500 20 0 CGADMP CCC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408425 369084371 /nfs/dbraw/zinc/08/43/71/369084371.db2.gz RQUSTAINXZAZCI-SHARSMKWSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C(CC(C)C)CC(C)C)C1 ZINC000037644194 369094678 /nfs/dbraw/zinc/09/46/78/369094678.db2.gz VVJKCMJERCVQME-HNNXBMFYSA-N 2 1 254.462 3.379 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649040 369095362 /nfs/dbraw/zinc/09/53/62/369095362.db2.gz UJNXZQAVWSXVMR-KBXCAEBGSA-N 2 1 270.420 3.138 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648952 369096000 /nfs/dbraw/zinc/09/60/00/369096000.db2.gz XDBRXTJPSUEANG-CABCVRRESA-N 2 1 284.447 3.310 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649305 369097637 /nfs/dbraw/zinc/09/76/37/369097637.db2.gz QPAFCKKRARPABK-CABCVRRESA-N 2 1 288.435 3.139 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000037934923 369126476 /nfs/dbraw/zinc/12/64/76/369126476.db2.gz YHRVNODZLDJQBE-VYDXJSESSA-N 2 1 274.452 3.283 20 0 CGADMP C[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)[NH+](C)C ZINC000037985880 369132230 /nfs/dbraw/zinc/13/22/30/369132230.db2.gz FFHNCRWCKYYJFU-JTQLQIEISA-N 2 1 263.772 3.250 20 0 CGADMP CCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000042577336 369225395 /nfs/dbraw/zinc/22/53/95/369225395.db2.gz RSZZUXGECRSPFB-AOTHYSKPSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000043313885 369248757 /nfs/dbraw/zinc/24/87/57/369248757.db2.gz IOAPMOAVHXIKIV-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1C ZINC000043313885 369248763 /nfs/dbraw/zinc/24/87/63/369248763.db2.gz IOAPMOAVHXIKIV-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP C(=C\c1ccncc1)\C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000494970887 244339700 /nfs/dbraw/zinc/33/97/00/244339700.db2.gz IEGIJKPZVGCMIW-QKGUZRGZSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C\c1ccncc1)\C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000494970887 244339704 /nfs/dbraw/zinc/33/97/04/244339704.db2.gz IEGIJKPZVGCMIW-QKGUZRGZSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C\c1ccncc1)\C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000494970887 244339710 /nfs/dbraw/zinc/33/97/10/244339710.db2.gz IEGIJKPZVGCMIW-QKGUZRGZSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C\c1ccncc1)\C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000494970887 244339716 /nfs/dbraw/zinc/33/97/16/244339716.db2.gz IEGIJKPZVGCMIW-QKGUZRGZSA-N 2 1 297.446 3.044 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1 ZINC000051919546 369456461 /nfs/dbraw/zinc/45/64/61/369456461.db2.gz AZRZQAMREMVTRM-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP C[NH2+][C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000053204726 369480954 /nfs/dbraw/zinc/48/09/54/369480954.db2.gz FFERLFKLVGWRNV-GFCCVEGCSA-N 2 1 275.783 3.076 20 0 CGADMP c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129108099 370975035 /nfs/dbraw/zinc/97/50/35/370975035.db2.gz FWZNAHSMWAJWBQ-IIAWOOMASA-N 2 1 288.460 3.440 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000062010662 369613374 /nfs/dbraw/zinc/61/33/74/369613374.db2.gz ODUBMJPHKCLOSS-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1(c2ccccc2)CCCC1 ZINC000276497055 193357125 /nfs/dbraw/zinc/35/71/25/193357125.db2.gz WKNYYQLYWASLOJ-MRXNPFEDSA-N 2 1 297.446 3.453 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148725 369782170 /nfs/dbraw/zinc/78/21/70/369782170.db2.gz HHVHGFYHHQQYRF-MRXNPFEDSA-N 2 1 276.424 3.177 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000090234586 370060886 /nfs/dbraw/zinc/06/08/86/370060886.db2.gz JURMZCLMZVZVLJ-ILXRZTDVSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000090720538 370065459 /nfs/dbraw/zinc/06/54/59/370065459.db2.gz SOFFHQBGACKZMS-ZBFHGGJFSA-N 2 1 276.424 3.046 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066375 370093180 /nfs/dbraw/zinc/09/31/80/370093180.db2.gz KQPBUSCUCPOTKU-PBHICJAKSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066375 370093188 /nfs/dbraw/zinc/09/31/88/370093188.db2.gz KQPBUSCUCPOTKU-PBHICJAKSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066375 370093195 /nfs/dbraw/zinc/09/31/95/370093195.db2.gz KQPBUSCUCPOTKU-PBHICJAKSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066375 370093200 /nfs/dbraw/zinc/09/32/00/370093200.db2.gz KQPBUSCUCPOTKU-PBHICJAKSA-N 2 1 274.408 3.037 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1F)CC1CC[NH+](C)CC1 ZINC000093089270 370108013 /nfs/dbraw/zinc/10/80/13/370108013.db2.gz ZBPCGVBLNKZNER-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC000093089119 370108644 /nfs/dbraw/zinc/10/86/44/370108644.db2.gz GCFGVSMNVDKUCP-UHFFFAOYSA-N 2 1 260.425 3.077 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093770207 370158372 /nfs/dbraw/zinc/15/83/72/370158372.db2.gz CSXMZFTZQNLDAW-INIZCTEOSA-N 2 1 290.451 3.086 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093770207 370158377 /nfs/dbraw/zinc/15/83/77/370158377.db2.gz CSXMZFTZQNLDAW-INIZCTEOSA-N 2 1 290.451 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093770207 370158379 /nfs/dbraw/zinc/15/83/79/370158379.db2.gz CSXMZFTZQNLDAW-INIZCTEOSA-N 2 1 290.451 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093770207 370158384 /nfs/dbraw/zinc/15/83/84/370158384.db2.gz CSXMZFTZQNLDAW-INIZCTEOSA-N 2 1 290.451 3.086 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCSCC1 ZINC000423258573 296159284 /nfs/dbraw/zinc/15/92/84/296159284.db2.gz BYMFFUZZDYAJMC-IUODEOHRSA-N 2 1 270.486 3.015 20 0 CGADMP Fc1cc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC000219552097 376201320 /nfs/dbraw/zinc/20/13/20/376201320.db2.gz WSODFNCTSFEMKY-MRXNPFEDSA-N 2 1 298.352 3.068 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000219656095 376201688 /nfs/dbraw/zinc/20/16/88/376201688.db2.gz JHFMLZTVNOQVPX-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP c1cnc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000129912039 371006368 /nfs/dbraw/zinc/00/63/68/371006368.db2.gz HZBQSXPMHLSCFK-QGZVFWFLSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130314946 371024892 /nfs/dbraw/zinc/02/48/92/371024892.db2.gz KOOPWTRNBQCLQG-HZPDHXFCSA-N 2 1 272.436 3.438 20 0 CGADMP C[C@H](c1c(F)cccc1F)N(C)CCCn1ccnc1 ZINC000130387623 371030288 /nfs/dbraw/zinc/03/02/88/371030288.db2.gz DVQNZMOUDHDDFQ-GFCCVEGCSA-N 2 1 279.334 3.244 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+](CC)CC)s1 ZINC000131395257 371105154 /nfs/dbraw/zinc/10/51/54/371105154.db2.gz LINDYLWQNWTELY-GFCCVEGCSA-N 2 1 283.485 3.396 20 0 CGADMP Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCn2ccnc2)o1 ZINC000131546081 371115222 /nfs/dbraw/zinc/11/52/22/371115222.db2.gz IYQIGTOLVKCQDV-DZGCQCFKSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCn2ccnc2)o1 ZINC000131545376 371115329 /nfs/dbraw/zinc/11/53/29/371115329.db2.gz IYQIGTOLVKCQDV-HIFRSBDPSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134885413 371372683 /nfs/dbraw/zinc/37/26/83/371372683.db2.gz BWHBJRRJHXZJOW-IEBWSBKVSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134885413 371372689 /nfs/dbraw/zinc/37/26/89/371372689.db2.gz BWHBJRRJHXZJOW-IEBWSBKVSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134885413 371372694 /nfs/dbraw/zinc/37/26/94/371372694.db2.gz BWHBJRRJHXZJOW-IEBWSBKVSA-N 2 1 284.447 3.444 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000136255766 371471419 /nfs/dbraw/zinc/47/14/19/371471419.db2.gz OWBRHHIBDBONPE-ZIAGYGMSSA-N 2 1 276.399 3.003 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150749441 371536588 /nfs/dbraw/zinc/53/65/88/371536588.db2.gz QPVIRJYQBTXIBC-DLBZAZTESA-N 2 1 272.436 3.208 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000151100929 371567528 /nfs/dbraw/zinc/56/75/28/371567528.db2.gz OBSXQSPEEMBDOA-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000151106723 371569710 /nfs/dbraw/zinc/56/97/10/371569710.db2.gz WFMWVYVNDNIUJQ-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421817747 371641225 /nfs/dbraw/zinc/64/12/25/371641225.db2.gz WTBGUKFJGFKGNI-GFCCVEGCSA-N 2 1 298.833 3.484 20 0 CGADMP CCc1oc2ccccc2c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422560845 371749173 /nfs/dbraw/zinc/74/91/73/371749173.db2.gz HZPHTLMNURTZFC-UHFFFAOYSA-N 2 1 284.403 3.323 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000422564334 371752134 /nfs/dbraw/zinc/75/21/34/371752134.db2.gz VRCWFJGTDYEUOG-IKGGRYGDSA-N 2 1 290.451 3.151 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C\c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422562655 371753223 /nfs/dbraw/zinc/75/32/23/371753223.db2.gz QPCXBTPGFWRGPP-LJKPJROJSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422712816 371763921 /nfs/dbraw/zinc/76/39/21/371763921.db2.gz OMRDKCVIKUMFJH-RNJTYBCJSA-N 2 1 288.435 3.316 20 0 CGADMP C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000422716494 371765695 /nfs/dbraw/zinc/76/56/95/371765695.db2.gz NHHKWFZVEXVZMG-XYPHTWIQSA-N 2 1 258.409 3.258 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CCCC1 ZINC000422829824 371830642 /nfs/dbraw/zinc/83/06/42/371830642.db2.gz UYRYYCHVUPMIDD-SUMWQHHRSA-N 2 1 291.439 3.130 20 0 CGADMP CCOCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422838885 371833915 /nfs/dbraw/zinc/83/39/15/371833915.db2.gz YMSHKUWTANLBLG-MOPGFXCFSA-N 2 1 296.414 3.458 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Sc1ccccc1 ZINC000422779965 371803346 /nfs/dbraw/zinc/80/33/46/371803346.db2.gz COYNDUVETYCADR-OLZOCXBDSA-N 2 1 287.432 3.326 20 0 CGADMP C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1c[nH+]ccc1N ZINC000422786036 371806564 /nfs/dbraw/zinc/80/65/64/371806564.db2.gz OANRGXNGMAIPRG-CABCVRRESA-N 2 1 299.418 3.313 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422805450 371820891 /nfs/dbraw/zinc/82/08/91/371820891.db2.gz GVZASJTXGUDEHO-CIUDSAMLSA-N 2 1 295.374 3.328 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422865455 371845330 /nfs/dbraw/zinc/84/53/30/371845330.db2.gz YECBREGGFFJWLO-ZWKOTPCHSA-N 2 1 282.387 3.448 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954211 371860850 /nfs/dbraw/zinc/86/08/50/371860850.db2.gz ICDUKEHSFBMILO-WBVHZDCISA-N 2 1 290.451 3.171 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954211 371860857 /nfs/dbraw/zinc/86/08/57/371860857.db2.gz ICDUKEHSFBMILO-WBVHZDCISA-N 2 1 290.451 3.171 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954211 371860859 /nfs/dbraw/zinc/86/08/59/371860859.db2.gz ICDUKEHSFBMILO-WBVHZDCISA-N 2 1 290.451 3.171 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1F ZINC000422918937 371870216 /nfs/dbraw/zinc/87/02/16/371870216.db2.gz JBCWFOMGLZEIHM-IUODEOHRSA-N 2 1 268.351 3.148 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000290028355 371882792 /nfs/dbraw/zinc/88/27/92/371882792.db2.gz VOYQEXBGLSFPKA-CJNGLKHVSA-N 2 1 261.413 3.164 20 0 CGADMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC000422942357 371883165 /nfs/dbraw/zinc/88/31/65/371883165.db2.gz PLNQKLIAYAKCRO-MYSGWJLTSA-N 2 1 273.424 3.041 20 0 CGADMP COc1ccc(F)cc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423063016 371941998 /nfs/dbraw/zinc/94/19/98/371941998.db2.gz OFBRQCIROKZMSV-CZUORRHYSA-N 2 1 294.414 3.235 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000290055985 371891263 /nfs/dbraw/zinc/89/12/63/371891263.db2.gz PBPXMIKXKOCHPK-INIZCTEOSA-N 2 1 290.451 3.173 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000290055985 371891273 /nfs/dbraw/zinc/89/12/73/371891273.db2.gz PBPXMIKXKOCHPK-INIZCTEOSA-N 2 1 290.451 3.173 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000290055985 371891280 /nfs/dbraw/zinc/89/12/80/371891280.db2.gz PBPXMIKXKOCHPK-INIZCTEOSA-N 2 1 290.451 3.173 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000290055985 371891285 /nfs/dbraw/zinc/89/12/85/371891285.db2.gz PBPXMIKXKOCHPK-INIZCTEOSA-N 2 1 290.451 3.173 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000422968112 371895669 /nfs/dbraw/zinc/89/56/69/371895669.db2.gz VPXKGIAVFQWMJD-WOSRLPQWSA-N 2 1 258.365 3.084 20 0 CGADMP CC[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)[C@@H]1CCC[NH2+]1 ZINC000422999216 371908794 /nfs/dbraw/zinc/90/87/94/371908794.db2.gz SCYDWFGDWXIVFE-HKUYNNGSSA-N 2 1 295.430 3.369 20 0 CGADMP C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423020679 371918905 /nfs/dbraw/zinc/91/89/05/371918905.db2.gz COOIUQSLVLLFPT-OQUILHJVSA-N 2 1 258.409 3.040 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000423030117 371924320 /nfs/dbraw/zinc/92/43/20/371924320.db2.gz JCJQUOVOHGDXGZ-KZNAEPCWSA-N 3 1 295.515 3.151 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000155412980 371926960 /nfs/dbraw/zinc/92/69/60/371926960.db2.gz FXRNTIKCLMBIBM-BBRMVZONSA-N 2 1 292.854 3.301 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(F)(F)F ZINC000423046421 371931381 /nfs/dbraw/zinc/93/13/81/371931381.db2.gz DPCBNDFGWODYNV-KWCYVHTRSA-N 2 1 286.341 3.268 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423098812 371962368 /nfs/dbraw/zinc/96/23/68/371962368.db2.gz LODZUQACUGUYGY-KONPQCLYSA-N 2 1 272.436 3.361 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC000156175424 371965841 /nfs/dbraw/zinc/96/58/41/371965841.db2.gz UTLJIIGMPAXHCP-DZKIICNBSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC000156175424 371965846 /nfs/dbraw/zinc/96/58/46/371965846.db2.gz UTLJIIGMPAXHCP-DZKIICNBSA-N 2 1 252.446 3.418 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000290397515 371980689 /nfs/dbraw/zinc/98/06/89/371980689.db2.gz JDTRGSZTIWCEFJ-OAHLLOKOSA-N 2 1 294.389 3.129 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290409221 371984330 /nfs/dbraw/zinc/98/43/30/371984330.db2.gz JXNKEWUUWBICGM-JFIYKMOQSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290409221 371984337 /nfs/dbraw/zinc/98/43/37/371984337.db2.gz JXNKEWUUWBICGM-JFIYKMOQSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000290409221 371984340 /nfs/dbraw/zinc/98/43/40/371984340.db2.gz JXNKEWUUWBICGM-JFIYKMOQSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000290409221 371984346 /nfs/dbraw/zinc/98/43/46/371984346.db2.gz JXNKEWUUWBICGM-JFIYKMOQSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)c1c[nH+]ccc1N ZINC000423137722 371986661 /nfs/dbraw/zinc/98/66/61/371986661.db2.gz WYQXELFXPILYIK-DYVFJYSZSA-N 2 1 281.403 3.339 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000423166681 371999448 /nfs/dbraw/zinc/99/94/48/371999448.db2.gz VTAVWAMRDMXOMI-MBGYTDRXSA-N 2 1 288.435 3.061 20 0 CGADMP CCOC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C(C)C ZINC000423074555 371947929 /nfs/dbraw/zinc/94/79/29/371947929.db2.gz UYSLGSIREBBRGF-BZSNNMDCSA-N 2 1 290.451 3.130 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559609 372017403 /nfs/dbraw/zinc/01/74/03/372017403.db2.gz SHYRUYAZSOIZGH-ABAIWWIYSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559609 372017411 /nfs/dbraw/zinc/01/74/11/372017411.db2.gz SHYRUYAZSOIZGH-ABAIWWIYSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559609 372017413 /nfs/dbraw/zinc/01/74/13/372017413.db2.gz SHYRUYAZSOIZGH-ABAIWWIYSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290559609 372017419 /nfs/dbraw/zinc/01/74/19/372017419.db2.gz SHYRUYAZSOIZGH-ABAIWWIYSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2c(c1)COC2 ZINC000423200356 372024904 /nfs/dbraw/zinc/02/49/04/372024904.db2.gz LYXCZEHUSIFZPU-CQSZACIVSA-N 2 1 288.435 3.419 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000290592132 372024974 /nfs/dbraw/zinc/02/49/74/372024974.db2.gz VIJKQVZJFXQIOA-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1csc(Cl)c1 ZINC000423202318 372026403 /nfs/dbraw/zinc/02/64/03/372026403.db2.gz AQNZBRFPIVCEAT-NXEZZACHSA-N 2 1 258.818 3.052 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157584808 372027694 /nfs/dbraw/zinc/02/76/94/372027694.db2.gz DZOLVKUBGKPJSX-YIDVYQOGSA-N 2 1 250.430 3.028 20 0 CGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158202429 372057564 /nfs/dbraw/zinc/05/75/64/372057564.db2.gz MPURJFPZEBPXQW-OAGGEKHMSA-N 2 1 290.451 3.119 20 0 CGADMP CCCCCOc1ccc([C@@H]([NH2+]CC[NH3+])C2CC2)cc1 ZINC000423180124 372008792 /nfs/dbraw/zinc/00/87/92/372008792.db2.gz IDZRWHQLMDJEAV-KRWDZBQOSA-N 2 1 276.424 3.255 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180642 372009641 /nfs/dbraw/zinc/00/96/41/372009641.db2.gz BKDXUWUMBDVHHL-CGTJXYLNSA-N 2 1 289.467 3.366 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000344186695 217089936 /nfs/dbraw/zinc/08/99/36/217089936.db2.gz MUTXLECAPSTJKX-CABCVRRESA-N 2 1 294.414 3.187 20 0 CGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116803 372108986 /nfs/dbraw/zinc/10/89/86/372108986.db2.gz DOTFHGKDWRWHOM-OALUTQOASA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116803 372108992 /nfs/dbraw/zinc/10/89/92/372108992.db2.gz DOTFHGKDWRWHOM-OALUTQOASA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116803 372108997 /nfs/dbraw/zinc/10/89/97/372108997.db2.gz DOTFHGKDWRWHOM-OALUTQOASA-N 2 1 284.447 3.383 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccccc21)C1CCCC1 ZINC000423531469 372072042 /nfs/dbraw/zinc/07/20/42/372072042.db2.gz QKSSURRZOQKKCR-IRXDYDNUSA-N 2 1 258.409 3.171 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](CC)CC1)CCC2 ZINC000159294392 372126637 /nfs/dbraw/zinc/12/66/37/372126637.db2.gz KHFPILNIHPLOJD-CYBMUJFWSA-N 2 1 293.480 3.157 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429017948 372306207 /nfs/dbraw/zinc/30/62/07/372306207.db2.gz FSTIOMGEIPSXLL-IBGZPJMESA-N 2 1 286.463 3.413 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429017948 372306212 /nfs/dbraw/zinc/30/62/12/372306212.db2.gz FSTIOMGEIPSXLL-IBGZPJMESA-N 2 1 286.463 3.413 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429017948 372306222 /nfs/dbraw/zinc/30/62/22/372306222.db2.gz FSTIOMGEIPSXLL-IBGZPJMESA-N 2 1 286.463 3.413 20 0 CGADMP COC1(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000429349925 372353993 /nfs/dbraw/zinc/35/39/93/372353993.db2.gz AWXVLJQQTXJZPK-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430601426 372391905 /nfs/dbraw/zinc/39/19/05/372391905.db2.gz UEEVABDVLBNZIW-BBRMVZONSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430601426 372391909 /nfs/dbraw/zinc/39/19/09/372391909.db2.gz UEEVABDVLBNZIW-BBRMVZONSA-N 2 1 299.418 3.209 20 0 CGADMP CCCCc1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1 ZINC000430917948 372404940 /nfs/dbraw/zinc/40/49/40/372404940.db2.gz FMQJBQIZGPNPHX-GFCCVEGCSA-N 2 1 281.469 3.045 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070483 372423304 /nfs/dbraw/zinc/42/33/04/372423304.db2.gz YKCFVMWAYCXOAV-CYBMUJFWSA-N 2 1 294.443 3.054 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070483 372423315 /nfs/dbraw/zinc/42/33/15/372423315.db2.gz YKCFVMWAYCXOAV-CYBMUJFWSA-N 2 1 294.443 3.054 20 0 CGADMP CC(C)C[C@H]1CCCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431083801 372426126 /nfs/dbraw/zinc/42/61/26/372426126.db2.gz MRMVODKIJUEXNE-CYBMUJFWSA-N 2 1 294.443 3.054 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)C1 ZINC000163313870 372461702 /nfs/dbraw/zinc/46/17/02/372461702.db2.gz HBRNEAUDQBPLSU-LSDHHAIUSA-N 2 1 278.415 3.435 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163423228 372468639 /nfs/dbraw/zinc/46/86/39/372468639.db2.gz PABSBTAJUOBGBH-AGIUHOORSA-N 2 1 266.816 3.318 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163435268 372469416 /nfs/dbraw/zinc/46/94/16/372469416.db2.gz CSJIBBNSNCVVJZ-TZMCWYRMSA-N 2 1 272.392 3.158 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c[nH]c21 ZINC000164403510 372517709 /nfs/dbraw/zinc/51/77/09/372517709.db2.gz MGMDNSJSPCFYEU-ZBFHGGJFSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)CC[N@H+]1C ZINC000164772132 372532189 /nfs/dbraw/zinc/53/21/89/372532189.db2.gz GSPDYZKGNKTGAE-XJKSGUPXSA-N 2 1 278.415 3.176 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC(C)(C)C2)CCCO1 ZINC000432345707 372562594 /nfs/dbraw/zinc/56/25/94/372562594.db2.gz ISGLHQVAOKYRDV-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC(C)(C)C2)CCCO1 ZINC000432345707 372562601 /nfs/dbraw/zinc/56/26/01/372562601.db2.gz ISGLHQVAOKYRDV-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCCC1 ZINC000168352543 372611597 /nfs/dbraw/zinc/61/15/97/372611597.db2.gz ZVGVBVIAIVBZOC-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435398064 372760722 /nfs/dbraw/zinc/76/07/22/372760722.db2.gz MPMGOWIFZKQSHG-NAZJXLNTSA-N 2 1 272.436 3.080 20 0 CGADMP CCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435691358 372795967 /nfs/dbraw/zinc/79/59/67/372795967.db2.gz DMOLZCDEPBSLRA-AWEZNQCLSA-N 2 1 264.438 3.102 20 0 CGADMP c1cc(C[N@H+](CC2CCC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435692854 372796169 /nfs/dbraw/zinc/79/61/69/372796169.db2.gz KQUVULHEANDMHN-MRXNPFEDSA-N 2 1 290.476 3.492 20 0 CGADMP Cc1c[nH+]ccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435600849 372782863 /nfs/dbraw/zinc/78/28/63/372782863.db2.gz GUBRGPDFRDQOIS-MRXNPFEDSA-N 2 1 273.424 3.021 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000435871216 372820472 /nfs/dbraw/zinc/82/04/72/372820472.db2.gz JHEFUSIYOJQYKT-GFCCVEGCSA-N 2 1 284.806 3.096 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000435871216 372820481 /nfs/dbraw/zinc/82/04/81/372820481.db2.gz JHEFUSIYOJQYKT-GFCCVEGCSA-N 2 1 284.806 3.096 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000438085030 372872146 /nfs/dbraw/zinc/87/21/46/372872146.db2.gz LYLOXEJMKIQZKX-OAGGEKHMSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000438085030 372872151 /nfs/dbraw/zinc/87/21/51/372872151.db2.gz LYLOXEJMKIQZKX-OAGGEKHMSA-N 2 1 292.442 3.467 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cs1 ZINC000295912140 372956013 /nfs/dbraw/zinc/95/60/13/372956013.db2.gz JHEYTCFRWLDHEQ-LBPRGKRZSA-N 2 1 263.410 3.302 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000172848929 373046439 /nfs/dbraw/zinc/04/64/39/373046439.db2.gz XGVYYZTWDBAIJQ-KDOFPFPSSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC000172848929 373046446 /nfs/dbraw/zinc/04/64/46/373046446.db2.gz XGVYYZTWDBAIJQ-KDOFPFPSSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)CC[NH+]1C ZINC000172848929 373046449 /nfs/dbraw/zinc/04/64/49/373046449.db2.gz XGVYYZTWDBAIJQ-KDOFPFPSSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)CC[NH+]1C ZINC000172848929 373046455 /nfs/dbraw/zinc/04/64/55/373046455.db2.gz XGVYYZTWDBAIJQ-KDOFPFPSSA-N 2 1 272.436 3.090 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442777913 373077316 /nfs/dbraw/zinc/07/73/16/373077316.db2.gz FDCIWIJMOPUTQE-UHFFFAOYSA-N 2 1 285.382 3.385 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCSc1ccc(Cl)cc1 ZINC000442757892 373072068 /nfs/dbraw/zinc/07/20/68/373072068.db2.gz NJISYDAKIGUJDP-RYUDHWBXSA-N 2 1 284.856 3.101 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442919882 373128352 /nfs/dbraw/zinc/12/83/52/373128352.db2.gz JZNZTVOJPHMHEF-INIZCTEOSA-N 2 1 290.451 3.282 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442927684 373128431 /nfs/dbraw/zinc/12/84/31/373128431.db2.gz OSOKYWGEUBEVOM-AEFFLSMTSA-N 2 1 274.452 3.316 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000173344961 373128847 /nfs/dbraw/zinc/12/88/47/373128847.db2.gz TZMFROQTDJNKFL-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000173344961 373128850 /nfs/dbraw/zinc/12/88/50/373128850.db2.gz TZMFROQTDJNKFL-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1ccc(SCC[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443056152 373146685 /nfs/dbraw/zinc/14/66/85/373146685.db2.gz CCJXMHXISWOMEU-MRXNPFEDSA-N 2 1 292.492 3.456 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC000173924159 373218498 /nfs/dbraw/zinc/21/84/98/373218498.db2.gz WYYJEHRQSJKGNC-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000173924159 373218505 /nfs/dbraw/zinc/21/85/05/373218505.db2.gz WYYJEHRQSJKGNC-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000173924159 373218513 /nfs/dbraw/zinc/21/85/13/373218513.db2.gz WYYJEHRQSJKGNC-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP C[C@H]1CCC[C@@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000444570211 373202147 /nfs/dbraw/zinc/20/21/47/373202147.db2.gz HHMGTGPKPLFGKF-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCCO1 ZINC000444569217 373202938 /nfs/dbraw/zinc/20/29/38/373202938.db2.gz LTQHYKWOHAHVFB-QGZVFWFLSA-N 2 1 282.472 3.144 20 0 CGADMP CC(C)(C)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173877683 373207123 /nfs/dbraw/zinc/20/71/23/373207123.db2.gz UIHXZZSOHQPNBK-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000444750778 373258733 /nfs/dbraw/zinc/25/87/33/373258733.db2.gz JNCPMEXAZILPTB-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000444750778 373258739 /nfs/dbraw/zinc/25/87/39/373258739.db2.gz JNCPMEXAZILPTB-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000444750778 373258744 /nfs/dbraw/zinc/25/87/44/373258744.db2.gz JNCPMEXAZILPTB-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000174629018 373346407 /nfs/dbraw/zinc/34/64/07/373346407.db2.gz BOHKVIZCHJJIFT-YJBOKZPZSA-N 2 1 290.451 3.295 20 0 CGADMP CC[NH+](CC(O)C[N@H+](CC)[C@H](C)C(C)C)[C@H](C)C(C)C ZINC000447162463 373409580 /nfs/dbraw/zinc/40/95/80/373409580.db2.gz IVVZSFJYWQAGPD-HZPDHXFCSA-N 2 1 286.504 3.080 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000177394765 373681563 /nfs/dbraw/zinc/68/15/63/373681563.db2.gz XIMQYAVWHKYJEW-GJZGRUSLSA-N 2 1 260.425 3.285 20 0 CGADMP c1cc2[nH+]ccc(NC3CC[NH+](C4CC4)CC3)c2s1 ZINC000301344868 373754723 /nfs/dbraw/zinc/75/47/23/373754723.db2.gz HMZBFGBMNKVBKA-UHFFFAOYSA-N 2 1 273.405 3.335 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2o1)C[C@H]1CCC[NH+](C)C1 ZINC000178536071 373790542 /nfs/dbraw/zinc/79/05/42/373790542.db2.gz ZLGONPFBILHQAL-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP C[N@H+](Cc1cc2ccccc2o1)C[C@H]1CCC[NH+](C)C1 ZINC000178536071 373790548 /nfs/dbraw/zinc/79/05/48/373790548.db2.gz ZLGONPFBILHQAL-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1cc2ccccc2o1)C[C@H]1CCC[N@H+](C)C1 ZINC000178536071 373790553 /nfs/dbraw/zinc/79/05/53/373790553.db2.gz ZLGONPFBILHQAL-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1cc2ccccc2o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000178536071 373790559 /nfs/dbraw/zinc/79/05/59/373790559.db2.gz ZLGONPFBILHQAL-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000178642226 373801770 /nfs/dbraw/zinc/80/17/70/373801770.db2.gz WNFBBUMPZNBQTP-GDBMZVCRSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)s1 ZINC000178642226 373801773 /nfs/dbraw/zinc/80/17/73/373801773.db2.gz WNFBBUMPZNBQTP-GDBMZVCRSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)s1 ZINC000178642226 373801778 /nfs/dbraw/zinc/80/17/78/373801778.db2.gz WNFBBUMPZNBQTP-GDBMZVCRSA-N 2 1 278.465 3.281 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000449783850 373913448 /nfs/dbraw/zinc/91/34/48/373913448.db2.gz SFTUGQFMAJJDPO-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000449783850 373913452 /nfs/dbraw/zinc/91/34/52/373913452.db2.gz SFTUGQFMAJJDPO-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430498 374123300 /nfs/dbraw/zinc/12/33/00/374123300.db2.gz SELKPGHPLPQVIB-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430498 374123306 /nfs/dbraw/zinc/12/33/06/374123306.db2.gz SELKPGHPLPQVIB-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430498 374123309 /nfs/dbraw/zinc/12/33/09/374123309.db2.gz SELKPGHPLPQVIB-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C23CCCC3)C1 ZINC000181557987 374139232 /nfs/dbraw/zinc/13/92/32/374139232.db2.gz TXPILVMUFXIMHP-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2CCCC2)CC[N@H+]1C ZINC000181688605 374155949 /nfs/dbraw/zinc/15/59/49/374155949.db2.gz FYACOTFOPBUABC-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000311236259 374237610 /nfs/dbraw/zinc/23/76/10/374237610.db2.gz WJSVOQPTKDAVTP-FMKPAKJESA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000453256679 374373149 /nfs/dbraw/zinc/37/31/49/374373149.db2.gz MHKUPBLUQOOMCI-NFAWXSAZSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000453256679 374373161 /nfs/dbraw/zinc/37/31/61/374373161.db2.gz MHKUPBLUQOOMCI-NFAWXSAZSA-N 2 1 264.388 3.267 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000183108857 374374351 /nfs/dbraw/zinc/37/43/51/374374351.db2.gz MBGYFBRIBQTETA-JYJNAYRXSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000183108857 374374361 /nfs/dbraw/zinc/37/43/61/374374361.db2.gz MBGYFBRIBQTETA-JYJNAYRXSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000183108857 374374367 /nfs/dbraw/zinc/37/43/67/374374367.db2.gz MBGYFBRIBQTETA-JYJNAYRXSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453349664 374440979 /nfs/dbraw/zinc/44/09/79/374440979.db2.gz LUQJXZNUHLFYPL-NIOBXDJOSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453380651 374467415 /nfs/dbraw/zinc/46/74/15/374467415.db2.gz BAHFZLNILWTXLK-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453380651 374467426 /nfs/dbraw/zinc/46/74/26/374467426.db2.gz BAHFZLNILWTXLK-INIZCTEOSA-N 2 1 289.467 3.257 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCNc2ccccc21)C1CC1 ZINC000453388583 374472966 /nfs/dbraw/zinc/47/29/66/374472966.db2.gz BPAJTPSOGILNTA-GOSISDBHSA-N 2 1 287.451 3.397 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC12CCC2)C1CC1 ZINC000453416514 374474405 /nfs/dbraw/zinc/47/44/05/374474405.db2.gz XOWPYYWPGMHHEY-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H](C1CC1)C1CCC1)C1CC1 ZINC000453405922 374475204 /nfs/dbraw/zinc/47/52/04/374475204.db2.gz QVULXFWRPAYOKE-MRXNPFEDSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000453592459 374476924 /nfs/dbraw/zinc/47/69/24/374476924.db2.gz FJEWURBWLMDSFL-UHFFFAOYSA-N 2 1 266.816 3.304 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000089513189 541953637 /nfs/dbraw/zinc/95/36/37/541953637.db2.gz WNAJEGSQFMQRTG-NSHDSACASA-N 2 1 281.469 3.365 20 0 CGADMP CC(C)COC[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccco1 ZINC000184154101 374499185 /nfs/dbraw/zinc/49/91/85/374499185.db2.gz QHEJXQBBCOLYLE-JKSUJKDBSA-N 2 1 294.439 3.067 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000090400681 541959037 /nfs/dbraw/zinc/95/90/37/541959037.db2.gz MIMBTKMJHHMBCF-ZDUSSCGKSA-N 2 1 281.469 3.224 20 0 CGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cncs1 ZINC000185158296 374599726 /nfs/dbraw/zinc/59/97/26/374599726.db2.gz VLJPLBJEULVKPA-UHFFFAOYSA-N 2 1 281.469 3.277 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCSCC2)C[C@H]1c1ccccc1 ZINC000334220496 206212273 /nfs/dbraw/zinc/21/22/73/206212273.db2.gz RRBPIJVOFRPQRM-IRXDYDNUSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCSCC2)C[C@H]1c1ccccc1 ZINC000334220496 206212277 /nfs/dbraw/zinc/21/22/77/206212277.db2.gz RRBPIJVOFRPQRM-IRXDYDNUSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+]([C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000334380182 374699438 /nfs/dbraw/zinc/69/94/38/374699438.db2.gz IKDXFYMLHGFHSQ-IAGOWNOFSA-N 2 1 270.420 3.103 20 0 CGADMP C[N@H+]1CCCC12CC[NH+]([C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000334380182 374699441 /nfs/dbraw/zinc/69/94/41/374699441.db2.gz IKDXFYMLHGFHSQ-IAGOWNOFSA-N 2 1 270.420 3.103 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000093678035 541983103 /nfs/dbraw/zinc/98/31/03/541983103.db2.gz NNWQSHWZZYJVDD-GOOCMWNKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3occc3c2)CC[N@H+]1C ZINC000334449365 374760748 /nfs/dbraw/zinc/76/07/48/374760748.db2.gz JTISDFJOEQIVIU-DOMZBBRYSA-N 2 1 258.365 3.005 20 0 CGADMP C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687186 374714867 /nfs/dbraw/zinc/71/48/67/374714867.db2.gz XTYRGLQPXJELKS-WMZOPIPTSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1cnc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185700796 374717834 /nfs/dbraw/zinc/71/78/34/374717834.db2.gz KRUVTTIJQYYLGZ-ZIAGYGMSSA-N 2 1 293.480 3.194 20 0 CGADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@@H]1CCCCC13CCCC3)C2 ZINC000334423543 374737792 /nfs/dbraw/zinc/73/77/92/374737792.db2.gz FSDYPUIJLANZBR-XJKSGUPXSA-N 2 1 273.424 3.360 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000459725068 374817476 /nfs/dbraw/zinc/81/74/76/374817476.db2.gz AYHQKHUFFFUXDA-HSBZDZAISA-N 2 1 292.389 3.429 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000464780464 374896908 /nfs/dbraw/zinc/89/69/08/374896908.db2.gz SWSKAQZQOGXBES-BZSNNMDCSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000464780464 374896915 /nfs/dbraw/zinc/89/69/15/374896915.db2.gz SWSKAQZQOGXBES-BZSNNMDCSA-N 2 1 296.499 3.245 20 0 CGADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000334671781 374961193 /nfs/dbraw/zinc/96/11/93/374961193.db2.gz PJZMHHBWZNXHPJ-KRWDZBQOSA-N 2 1 294.508 3.080 20 0 CGADMP C[N@@H+](Cc1ccccc1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094528193 541987522 /nfs/dbraw/zinc/98/75/22/541987522.db2.gz DGPMZCZYVDNVIN-SJPCQFCGSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCCc2ccccc2)CC[N@@H+]1C ZINC000187120290 374975900 /nfs/dbraw/zinc/97/59/00/374975900.db2.gz PWGVJAIOSCKDKX-WMZOPIPTSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCCc2ccccc2)CC[N@H+]1C ZINC000187120290 374975903 /nfs/dbraw/zinc/97/59/03/374975903.db2.gz PWGVJAIOSCKDKX-WMZOPIPTSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCCc2ccccc2)CC[NH+]1C ZINC000187120290 374975908 /nfs/dbraw/zinc/97/59/08/374975908.db2.gz PWGVJAIOSCKDKX-WMZOPIPTSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCc2ccccc2)CC[NH+]1C ZINC000187120290 374975915 /nfs/dbraw/zinc/97/59/15/374975915.db2.gz PWGVJAIOSCKDKX-WMZOPIPTSA-N 2 1 274.452 3.424 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)[C@H](C)C1 ZINC000470255251 374995543 /nfs/dbraw/zinc/99/55/43/374995543.db2.gz NXXVBPDQTBGRIJ-HMDCTGQHSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000473018769 375041681 /nfs/dbraw/zinc/04/16/81/375041681.db2.gz DEHDPEOINWFNEP-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000472662829 375029360 /nfs/dbraw/zinc/02/93/60/375029360.db2.gz ZLENJKVFILADDW-AEFFLSMTSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000472662829 375029364 /nfs/dbraw/zinc/02/93/64/375029364.db2.gz ZLENJKVFILADDW-AEFFLSMTSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000472662829 375029369 /nfs/dbraw/zinc/02/93/69/375029369.db2.gz ZLENJKVFILADDW-AEFFLSMTSA-N 2 1 290.426 3.489 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938613 375039110 /nfs/dbraw/zinc/03/91/10/375039110.db2.gz KQWMCWPRHCMPQE-FUHWJXTLSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938613 375039118 /nfs/dbraw/zinc/03/91/18/375039118.db2.gz KQWMCWPRHCMPQE-FUHWJXTLSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938613 375039126 /nfs/dbraw/zinc/03/91/26/375039126.db2.gz KQWMCWPRHCMPQE-FUHWJXTLSA-N 2 1 290.426 3.489 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH+]1CCC3(CC[NH2+]3)CC1)CCC2 ZINC000335016677 375072946 /nfs/dbraw/zinc/07/29/46/375072946.db2.gz GACQHYRWYUVSDN-INIZCTEOSA-N 2 1 274.383 3.031 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC1CCCCC1 ZINC000483247611 375178345 /nfs/dbraw/zinc/17/83/45/375178345.db2.gz NWHJITPXGCHACU-SQNIBIBYSA-N 2 1 294.483 3.140 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000474477355 375113806 /nfs/dbraw/zinc/11/38/06/375113806.db2.gz MJJRUXNSCFSYTF-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474479863 375115657 /nfs/dbraw/zinc/11/56/57/375115657.db2.gz SROCKCIOSXBAQC-MHORFTMASA-N 2 1 296.499 3.149 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000486957565 375199859 /nfs/dbraw/zinc/19/98/59/375199859.db2.gz PGLRBDLDHCPFLO-KBXIAJHMSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000486957565 375199866 /nfs/dbraw/zinc/19/98/66/375199866.db2.gz PGLRBDLDHCPFLO-KBXIAJHMSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)=CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000188460253 375218693 /nfs/dbraw/zinc/21/86/93/375218693.db2.gz LNLRYTBCXYHEQW-UHFFFAOYSA-N 2 1 290.426 3.388 20 0 CGADMP c1c2ccccc2sc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335414238 375274073 /nfs/dbraw/zinc/27/40/73/375274073.db2.gz RDSRIEXLAGNQCP-UHFFFAOYSA-N 2 1 272.417 3.229 20 0 CGADMP Cc1cc2cc(C[NH2+]C[C@@H](C)C[NH+](C)C)oc2cc1C ZINC000491593782 375334823 /nfs/dbraw/zinc/33/48/23/375334823.db2.gz JNTHZADGVKLSTR-GFCCVEGCSA-N 2 1 274.408 3.337 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000189246718 375348620 /nfs/dbraw/zinc/34/86/20/375348620.db2.gz GCOBOAIDOQJYEL-JCHJZTRSSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000189246718 375348628 /nfs/dbraw/zinc/34/86/28/375348628.db2.gz GCOBOAIDOQJYEL-JCHJZTRSSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1[NH3+] ZINC000335786475 375429769 /nfs/dbraw/zinc/42/97/69/375429769.db2.gz NZTPURJMPBGTDP-FZKQIMNGSA-N 2 1 299.393 3.057 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC[C@H]1[NH3+] ZINC000335786475 375429773 /nfs/dbraw/zinc/42/97/73/375429773.db2.gz NZTPURJMPBGTDP-FZKQIMNGSA-N 2 1 299.393 3.057 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000495163377 375498156 /nfs/dbraw/zinc/49/81/56/375498156.db2.gz IUYHWRUYUGTOPO-QKPAOTATSA-N 2 1 282.497 3.077 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2n1 ZINC000335960845 375574012 /nfs/dbraw/zinc/57/40/12/375574012.db2.gz HVVVDFUMIJPJRL-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP CC(C)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498840902 375629309 /nfs/dbraw/zinc/62/93/09/375629309.db2.gz ZVTOTGWRJRVDLB-KRWDZBQOSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000120925463 542014195 /nfs/dbraw/zinc/01/41/95/542014195.db2.gz GRVPBRWPIYAUOM-INIZCTEOSA-N 2 1 282.378 3.274 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000121045413 542014993 /nfs/dbraw/zinc/01/49/93/542014993.db2.gz PJDCYEWGTFYZDH-APPDUMDISA-N 2 1 292.373 3.026 20 0 CGADMP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507523283 375711635 /nfs/dbraw/zinc/71/16/35/375711635.db2.gz IJHHARMBTRZRJT-YYIAUSFCSA-N 2 1 262.441 3.172 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000508132165 375737877 /nfs/dbraw/zinc/73/78/77/375737877.db2.gz QBOITSVMWDSDBC-XSVZSIDJSA-N 2 1 272.436 3.411 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000516117513 375817798 /nfs/dbraw/zinc/81/77/98/375817798.db2.gz GAQWFUZNNCUFTD-WNRNVDISSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000516117513 375817801 /nfs/dbraw/zinc/81/78/01/375817801.db2.gz GAQWFUZNNCUFTD-WNRNVDISSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000516117513 375817804 /nfs/dbraw/zinc/81/78/04/375817804.db2.gz GAQWFUZNNCUFTD-WNRNVDISSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000516117513 375817807 /nfs/dbraw/zinc/81/78/07/375817807.db2.gz GAQWFUZNNCUFTD-WNRNVDISSA-N 2 1 276.468 3.395 20 0 CGADMP CCC[N@H+]1CC[C@@H](CNCc2sccc2Cl)C1 ZINC000193036366 375818646 /nfs/dbraw/zinc/81/86/46/375818646.db2.gz XKKQSYUDMKHFPV-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000193036366 375818650 /nfs/dbraw/zinc/81/86/50/375818650.db2.gz XKKQSYUDMKHFPV-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000193036366 375818654 /nfs/dbraw/zinc/81/86/54/375818654.db2.gz XKKQSYUDMKHFPV-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)s1 ZINC000516348351 375819410 /nfs/dbraw/zinc/81/94/10/375819410.db2.gz TXIORSDWZFHONF-GDBMZVCRSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)s1 ZINC000516348351 375819415 /nfs/dbraw/zinc/81/94/15/375819415.db2.gz TXIORSDWZFHONF-GDBMZVCRSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)s1 ZINC000516348351 375819418 /nfs/dbraw/zinc/81/94/18/375819418.db2.gz TXIORSDWZFHONF-GDBMZVCRSA-N 2 1 278.465 3.281 20 0 CGADMP CC[NH+](CC)CCC[N@H+](Cc1cccs1)C1CC1 ZINC000193467715 375880889 /nfs/dbraw/zinc/88/08/89/375880889.db2.gz WSIGROARFLMFEV-UHFFFAOYSA-N 2 1 266.454 3.444 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](Cc1cccs1)C1CC1 ZINC000193467715 375880899 /nfs/dbraw/zinc/88/08/99/375880899.db2.gz WSIGROARFLMFEV-UHFFFAOYSA-N 2 1 266.454 3.444 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336604410 375867174 /nfs/dbraw/zinc/86/71/74/375867174.db2.gz YHHAUAFUQPUNMP-LBPRGKRZSA-N 2 1 280.362 3.101 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336819884 375976405 /nfs/dbraw/zinc/97/64/05/375976405.db2.gz AXKLIQSKSYRMOT-KRWDZBQOSA-N 2 1 269.392 3.419 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]1c1ccccc1 ZINC000336819884 375976409 /nfs/dbraw/zinc/97/64/09/375976409.db2.gz AXKLIQSKSYRMOT-KRWDZBQOSA-N 2 1 269.392 3.419 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000336721937 375920973 /nfs/dbraw/zinc/92/09/73/375920973.db2.gz XSODNDXSFFFZJA-UHFFFAOYSA-N 2 1 252.427 3.021 20 0 CGADMP CCc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000534346979 375979730 /nfs/dbraw/zinc/97/97/30/375979730.db2.gz KTOGQBITUBCFLD-UHFFFAOYSA-N 2 1 278.440 3.394 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)c(OC)c2)C1 ZINC000194022111 375951283 /nfs/dbraw/zinc/95/12/83/375951283.db2.gz LYRVMOSOYXAGIC-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC000194022111 375951288 /nfs/dbraw/zinc/95/12/88/375951288.db2.gz LYRVMOSOYXAGIC-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC000194022111 375951295 /nfs/dbraw/zinc/95/12/95/375951295.db2.gz LYRVMOSOYXAGIC-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000194022111 375951299 /nfs/dbraw/zinc/95/12/99/375951299.db2.gz LYRVMOSOYXAGIC-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000194022111 375951305 /nfs/dbraw/zinc/95/13/05/375951305.db2.gz LYRVMOSOYXAGIC-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP COc1ccc2cc(C[NH2+]CCC[NH+]3CCC3)ccc2c1 ZINC000535047219 376014226 /nfs/dbraw/zinc/01/42/26/376014226.db2.gz DEVZIJZCMSQXPV-UHFFFAOYSA-N 2 1 284.403 3.034 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000535745353 376053195 /nfs/dbraw/zinc/05/31/95/376053195.db2.gz HLNXXDNJTMPVAD-BPUTZDHNSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000535745353 376053198 /nfs/dbraw/zinc/05/31/98/376053198.db2.gz HLNXXDNJTMPVAD-BPUTZDHNSA-N 2 1 261.413 3.092 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000195139504 376082264 /nfs/dbraw/zinc/08/22/64/376082264.db2.gz WPUNREOGJZGVLW-NVXWUHKLSA-N 2 1 284.403 3.452 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000195139504 376082268 /nfs/dbraw/zinc/08/22/68/376082268.db2.gz WPUNREOGJZGVLW-NVXWUHKLSA-N 2 1 284.403 3.452 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536856589 376137214 /nfs/dbraw/zinc/13/72/14/376137214.db2.gz GQCPBLXULCMGJC-XWTMOSNGSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000212809221 376138657 /nfs/dbraw/zinc/13/86/57/376138657.db2.gz SROIZBPYPJKXHW-WDEREUQCSA-N 2 1 272.795 3.470 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000537939975 376210053 /nfs/dbraw/zinc/21/00/53/376210053.db2.gz NMRIHHJPSXZMBO-IEBWSBKVSA-N 2 1 288.479 3.474 20 0 CGADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000337348639 376214642 /nfs/dbraw/zinc/21/46/42/376214642.db2.gz ZGIOMVFZYVYWDA-JFIYKMOQSA-N 2 1 299.462 3.182 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000337348671 376214730 /nfs/dbraw/zinc/21/47/30/376214730.db2.gz ZGIOMVFZYVYWDA-JZXOWHBKSA-N 2 1 299.462 3.182 20 0 CGADMP Cc1ccc(SCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000537986840 376215872 /nfs/dbraw/zinc/21/58/72/376215872.db2.gz LOBPMGLTZJHDQF-ZBFHGGJFSA-N 2 1 278.465 3.017 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc2ccccc2o1 ZINC000221789843 376221216 /nfs/dbraw/zinc/22/12/16/376221216.db2.gz PLVTUTBGJAETKH-UHFFFAOYSA-N 2 1 260.381 3.253 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2o1 ZINC000221789843 376221219 /nfs/dbraw/zinc/22/12/19/376221219.db2.gz PLVTUTBGJAETKH-UHFFFAOYSA-N 2 1 260.381 3.253 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000221777845 376221277 /nfs/dbraw/zinc/22/12/77/376221277.db2.gz GGLIUTLUCSLARH-LXZKKBNFSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000221777845 376221286 /nfs/dbraw/zinc/22/12/86/376221286.db2.gz GGLIUTLUCSLARH-LXZKKBNFSA-N 2 1 276.424 3.219 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccccc21 ZINC000221924445 376225423 /nfs/dbraw/zinc/22/54/23/376225423.db2.gz BSKUPISOMBKVSN-KRWDZBQOSA-N 2 1 260.425 3.384 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000221924309 376225517 /nfs/dbraw/zinc/22/55/17/376225517.db2.gz OTKLFXQUMNYTPW-CYBMUJFWSA-N 2 1 252.377 3.207 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000221924309 376225520 /nfs/dbraw/zinc/22/55/20/376225520.db2.gz OTKLFXQUMNYTPW-CYBMUJFWSA-N 2 1 252.377 3.207 20 0 CGADMP Cc1nccn1CCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000338283894 376312540 /nfs/dbraw/zinc/31/25/40/376312540.db2.gz IKFWQJOHOABTBG-AWEZNQCLSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000338283894 376312542 /nfs/dbraw/zinc/31/25/42/376312542.db2.gz IKFWQJOHOABTBG-AWEZNQCLSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000338283894 376312545 /nfs/dbraw/zinc/31/25/45/376312545.db2.gz IKFWQJOHOABTBG-AWEZNQCLSA-N 2 1 285.382 3.339 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000338313523 376329955 /nfs/dbraw/zinc/32/99/55/376329955.db2.gz LJBQQASFQWHSHX-OAHLLOKOSA-N 2 1 260.425 3.338 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCc2ccccc2[C@H]1C ZINC000338313523 376329959 /nfs/dbraw/zinc/32/99/59/376329959.db2.gz LJBQQASFQWHSHX-OAHLLOKOSA-N 2 1 260.425 3.338 20 0 CGADMP CS[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000541568403 376460057 /nfs/dbraw/zinc/46/00/57/376460057.db2.gz QEAAKBLVOPEPBV-XJFOESAGSA-N 2 1 272.502 3.082 20 0 CGADMP CC(C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000230991521 376550064 /nfs/dbraw/zinc/55/00/64/376550064.db2.gz ZIONOZZTQPSHSG-HOCLYGCPSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000542517492 376551638 /nfs/dbraw/zinc/55/16/38/376551638.db2.gz CTVBXCMPPCYASG-JKSUJKDBSA-N 2 1 262.441 3.185 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000542517492 376551645 /nfs/dbraw/zinc/55/16/45/376551645.db2.gz CTVBXCMPPCYASG-JKSUJKDBSA-N 2 1 262.441 3.185 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2ccsc2)C1 ZINC000543031589 376599573 /nfs/dbraw/zinc/59/95/73/376599573.db2.gz JLQFLVDEPDOFEH-KRWDZBQOSA-N 2 1 292.492 3.344 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000543031589 376599582 /nfs/dbraw/zinc/59/95/82/376599582.db2.gz JLQFLVDEPDOFEH-KRWDZBQOSA-N 2 1 292.492 3.344 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000543031589 376599586 /nfs/dbraw/zinc/59/95/86/376599586.db2.gz JLQFLVDEPDOFEH-KRWDZBQOSA-N 2 1 292.492 3.344 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H](C)Cc2ccsc2)[C@H](C)C1 ZINC000543080771 376605337 /nfs/dbraw/zinc/60/53/37/376605337.db2.gz GECDQRCYGLPTJU-YCPHGPKFSA-N 2 1 280.481 3.341 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@@H](C)Cc2ccsc2)[C@H](C)C1 ZINC000543080771 376605343 /nfs/dbraw/zinc/60/53/43/376605343.db2.gz GECDQRCYGLPTJU-YCPHGPKFSA-N 2 1 280.481 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H](C)Cc2ccsc2)[C@H](C)C1 ZINC000543080771 376605347 /nfs/dbraw/zinc/60/53/47/376605347.db2.gz GECDQRCYGLPTJU-YCPHGPKFSA-N 2 1 280.481 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H](C)Cc2ccsc2)[C@H](C)C1 ZINC000543080771 376605352 /nfs/dbraw/zinc/60/53/52/376605352.db2.gz GECDQRCYGLPTJU-YCPHGPKFSA-N 2 1 280.481 3.341 20 0 CGADMP CCCC1CCC(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000542840283 376585210 /nfs/dbraw/zinc/58/52/10/376585210.db2.gz PAADBKQBOIJXSD-JCYILVPMSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCc3ccccc3C1)CC2 ZINC000543186079 376615812 /nfs/dbraw/zinc/61/58/12/376615812.db2.gz DPZKMFIUWLBZPQ-QGZVFWFLSA-N 2 1 298.474 3.352 20 0 CGADMP CCC(CC)(CC)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000543876468 376685246 /nfs/dbraw/zinc/68/52/46/376685246.db2.gz MGMRQLYZWVBTLG-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CCC(CC)(CC)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000543876468 376685249 /nfs/dbraw/zinc/68/52/49/376685249.db2.gz MGMRQLYZWVBTLG-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CCC(CC)(CC)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000543876468 376685252 /nfs/dbraw/zinc/68/52/52/376685252.db2.gz MGMRQLYZWVBTLG-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000544415817 376734615 /nfs/dbraw/zinc/73/46/15/376734615.db2.gz UOWUIVPOQJLZTC-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000544415818 376734904 /nfs/dbraw/zinc/73/49/04/376734904.db2.gz UOWUIVPOQJLZTC-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245468572 376824513 /nfs/dbraw/zinc/82/45/13/376824513.db2.gz TZMFROQTDJNKFL-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245468572 376824519 /nfs/dbraw/zinc/82/45/19/376824519.db2.gz TZMFROQTDJNKFL-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000556943381 376908789 /nfs/dbraw/zinc/90/87/89/376908789.db2.gz QGCPZMAXASTUQN-LZLYRXPVSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000245944990 376940103 /nfs/dbraw/zinc/94/01/03/376940103.db2.gz NLSKFDZERKZFOI-KNCOVGOOSA-N 2 1 263.429 3.242 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000245952395 376942685 /nfs/dbraw/zinc/94/26/85/376942685.db2.gz XOGCLEFYMDNVGR-WMZOPIPTSA-N 2 1 274.452 3.454 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246056835 376958632 /nfs/dbraw/zinc/95/86/32/376958632.db2.gz CZTQLOLAELTVPC-RDJZCZTQSA-N 2 1 260.425 3.123 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244024 376961503 /nfs/dbraw/zinc/96/15/03/376961503.db2.gz KFIPYIYDKBZSRR-NUEKZKHPSA-N 2 1 278.465 3.163 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244024 376961515 /nfs/dbraw/zinc/96/15/15/376961515.db2.gz KFIPYIYDKBZSRR-NUEKZKHPSA-N 2 1 278.465 3.163 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCCCCC3)CC[C@H]21 ZINC000246117038 376969859 /nfs/dbraw/zinc/96/98/59/376969859.db2.gz KCEISXRDGHJTGC-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCCCCC3)CC[C@H]21 ZINC000246117038 376969861 /nfs/dbraw/zinc/96/98/61/376969861.db2.gz KCEISXRDGHJTGC-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCCCCC3)CC[C@H]21 ZINC000246117038 376969863 /nfs/dbraw/zinc/96/98/63/376969863.db2.gz KCEISXRDGHJTGC-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000246345403 377013197 /nfs/dbraw/zinc/01/31/97/377013197.db2.gz HEVDYZVRZINDJS-HZPDHXFCSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000246345403 377013205 /nfs/dbraw/zinc/01/32/05/377013205.db2.gz HEVDYZVRZINDJS-HZPDHXFCSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000246545855 377050217 /nfs/dbraw/zinc/05/02/17/377050217.db2.gz CWKDAXWMLQMVLU-RDJZCZTQSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000246545855 377050227 /nfs/dbraw/zinc/05/02/27/377050227.db2.gz CWKDAXWMLQMVLU-RDJZCZTQSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000246545855 377050232 /nfs/dbraw/zinc/05/02/32/377050232.db2.gz CWKDAXWMLQMVLU-RDJZCZTQSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000246545855 377050239 /nfs/dbraw/zinc/05/02/39/377050239.db2.gz CWKDAXWMLQMVLU-RDJZCZTQSA-N 2 1 297.446 3.458 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000246270789 377002881 /nfs/dbraw/zinc/00/28/81/377002881.db2.gz QNGICDKYBXKUGN-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CC2)[C@@H](C)C1 ZINC000246892722 377114887 /nfs/dbraw/zinc/11/48/87/377114887.db2.gz DULSMDONJXPCEH-FUHWJXTLSA-N 2 1 286.463 3.347 20 0 CGADMP CC(C)[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246916070 377119427 /nfs/dbraw/zinc/11/94/27/377119427.db2.gz GMLDXZFNVIXNBR-OWCLPIDISA-N 2 1 254.462 3.379 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246691850 377070750 /nfs/dbraw/zinc/07/07/50/377070750.db2.gz YVELIDDCKMSGIF-BBRMVZONSA-N 2 1 278.465 3.228 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340458555 377072717 /nfs/dbraw/zinc/07/27/17/377072717.db2.gz AZAMKKDHJSSOTA-UXLLHSPISA-N 2 1 278.415 3.235 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340471330 377080712 /nfs/dbraw/zinc/08/07/12/377080712.db2.gz VAXXHEGQZBRGDP-XDNAFOTISA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000340468856 377080809 /nfs/dbraw/zinc/08/08/09/377080809.db2.gz UVEFTIGUTCIRKT-DZOHQFGASA-N 2 1 290.426 3.235 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)c1 ZINC000340476243 377087463 /nfs/dbraw/zinc/08/74/63/377087463.db2.gz HGIPXFAZDJFDTM-MAUKXSAKSA-N 2 1 290.451 3.186 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000246809734 377095135 /nfs/dbraw/zinc/09/51/35/377095135.db2.gz ANQGQAWHAVVLPK-HRCADAONSA-N 2 1 290.451 3.119 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)[C@H](C)C1 ZINC000246955978 377127224 /nfs/dbraw/zinc/12/72/24/377127224.db2.gz HPKOHOORHOCNHI-SNPRPXQTSA-N 2 1 278.465 3.445 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000247004622 377137456 /nfs/dbraw/zinc/13/74/56/377137456.db2.gz KCGSHYNYFGIKEL-QXSJWSMHSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000247075588 377155463 /nfs/dbraw/zinc/15/54/63/377155463.db2.gz NFXMAOUGOGQYBE-IACUBPJLSA-N 2 1 282.378 3.488 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000560523802 377163942 /nfs/dbraw/zinc/16/39/42/377163942.db2.gz CKMYJKBHJQIUFB-IOASZLSFSA-N 2 1 296.405 3.358 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000560523802 377163947 /nfs/dbraw/zinc/16/39/47/377163947.db2.gz CKMYJKBHJQIUFB-IOASZLSFSA-N 2 1 296.405 3.358 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1(CC)CC ZINC000247170466 377169603 /nfs/dbraw/zinc/16/96/03/377169603.db2.gz SMUUOFWNQHWKHP-XUWVNRHRSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1(CC)CC ZINC000247170466 377169607 /nfs/dbraw/zinc/16/96/07/377169607.db2.gz SMUUOFWNQHWKHP-XUWVNRHRSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000247156407 377169782 /nfs/dbraw/zinc/16/97/82/377169782.db2.gz RSNCCNOLIXCDHA-IPJQOSJUSA-N 2 1 296.405 3.387 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247216422 377180330 /nfs/dbraw/zinc/18/03/30/377180330.db2.gz XHIFLJMMJMYWEQ-RBGFHDKUSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC000247247388 377183715 /nfs/dbraw/zinc/18/37/15/377183715.db2.gz ZHTYDJLQDHECCX-NVXWUHKLSA-N 2 1 260.425 3.459 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000247236145 377184160 /nfs/dbraw/zinc/18/41/60/377184160.db2.gz YOUOSDUJJQUKSZ-RDJZCZTQSA-N 2 1 274.452 3.284 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000562040154 377268586 /nfs/dbraw/zinc/26/85/86/377268586.db2.gz MPLPYRHQJDREQJ-GUDVDZBRSA-N 2 1 286.463 3.329 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000247979945 377253564 /nfs/dbraw/zinc/25/35/64/377253564.db2.gz HFARAUQJVGFUDC-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000248001005 377256185 /nfs/dbraw/zinc/25/61/85/377256185.db2.gz KJGVKGZVOJNILV-OVYGPGRDSA-N 2 1 296.499 3.146 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000248487816 377330594 /nfs/dbraw/zinc/33/05/94/377330594.db2.gz MBGYFBRIBQTETA-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000248487816 377330608 /nfs/dbraw/zinc/33/06/08/377330608.db2.gz MBGYFBRIBQTETA-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000248487816 377330619 /nfs/dbraw/zinc/33/06/19/377330619.db2.gz MBGYFBRIBQTETA-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c[nH]c21 ZINC000248141132 377271756 /nfs/dbraw/zinc/27/17/56/377271756.db2.gz PRSCQZZWACLDMQ-WMLDXEAASA-N 2 1 299.462 3.345 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248176143 377277731 /nfs/dbraw/zinc/27/77/31/377277731.db2.gz VPZVTGCOAOBLQQ-SZMVWBNQSA-N 2 1 272.436 3.472 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248176143 377277743 /nfs/dbraw/zinc/27/77/43/377277743.db2.gz VPZVTGCOAOBLQQ-SZMVWBNQSA-N 2 1 272.436 3.472 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000248173168 377278038 /nfs/dbraw/zinc/27/80/38/377278038.db2.gz VDQUUOMKQQSPAK-BQFCYCMXSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000248173168 377278042 /nfs/dbraw/zinc/27/80/42/377278042.db2.gz VDQUUOMKQQSPAK-BQFCYCMXSA-N 2 1 274.452 3.307 20 0 CGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccoc2)[C@@H](C)C1 ZINC000248197993 377280667 /nfs/dbraw/zinc/28/06/67/377280667.db2.gz XSCWMGOCMFYXLQ-ZOBUZTSGSA-N 2 1 294.439 3.067 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccoc2)[C@@H](C)C1 ZINC000248197993 377280676 /nfs/dbraw/zinc/28/06/76/377280676.db2.gz XSCWMGOCMFYXLQ-ZOBUZTSGSA-N 2 1 294.439 3.067 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@H]1C ZINC000248368794 377296552 /nfs/dbraw/zinc/29/65/52/377296552.db2.gz VORFRQJNGXZEKL-KBPBESRZSA-N 2 1 255.365 3.103 20 0 CGADMP FCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248396964 377306691 /nfs/dbraw/zinc/30/66/91/377306691.db2.gz HNRUIYWLNUKCBM-KZNAEPCWSA-N 2 1 290.426 3.236 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)oc2cc1C ZINC000563134964 377406636 /nfs/dbraw/zinc/40/66/36/377406636.db2.gz AWVUZGIQXVEGNQ-GOEBONIOSA-N 2 1 284.403 3.091 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)oc2cc1C ZINC000563134964 377406643 /nfs/dbraw/zinc/40/66/43/377406643.db2.gz AWVUZGIQXVEGNQ-GOEBONIOSA-N 2 1 284.403 3.091 20 0 CGADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000249096962 377460733 /nfs/dbraw/zinc/46/07/33/377460733.db2.gz MKKJELVXYDWWIO-NXHRZFHOSA-N 2 1 294.483 3.046 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000162802835 542164703 /nfs/dbraw/zinc/16/47/03/542164703.db2.gz ASUKFGVLHUSODZ-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249943391 377542077 /nfs/dbraw/zinc/54/20/77/377542077.db2.gz XHEUEPBTMWTJJY-FVPDABNVSA-N 2 1 250.430 3.028 20 0 CGADMP Fc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166665947 542174525 /nfs/dbraw/zinc/17/45/25/542174525.db2.gz NCWYLZYAPIZDPL-DLBZAZTESA-N 2 1 288.410 3.074 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000166739487 542175094 /nfs/dbraw/zinc/17/50/94/542175094.db2.gz AMBQDOVDUFUROC-VHDGCEQUSA-N 2 1 294.389 3.285 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422905843 249127229 /nfs/dbraw/zinc/12/72/29/249127229.db2.gz SXGMDDURWKEELK-RKDXNWHRSA-N 2 1 283.828 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000373426043 249118955 /nfs/dbraw/zinc/11/89/55/249118955.db2.gz INNSZQSSXMEAHI-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP CCc1ccccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000373426043 249118959 /nfs/dbraw/zinc/11/89/59/249118959.db2.gz INNSZQSSXMEAHI-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400318191 249122519 /nfs/dbraw/zinc/12/25/19/249122519.db2.gz AFGFMQAPAOYWMW-DYVFJYSZSA-N 2 1 254.377 3.070 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1 ZINC000249962537 377545705 /nfs/dbraw/zinc/54/57/05/377545705.db2.gz WNCHDPTZTGKMCX-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1 ZINC000249962537 377545713 /nfs/dbraw/zinc/54/57/13/377545713.db2.gz WNCHDPTZTGKMCX-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)ccc2n1 ZINC000249962537 377545717 /nfs/dbraw/zinc/54/57/17/377545717.db2.gz WNCHDPTZTGKMCX-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)ccc2n1 ZINC000249962537 377545724 /nfs/dbraw/zinc/54/57/24/377545724.db2.gz WNCHDPTZTGKMCX-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000250566704 377564187 /nfs/dbraw/zinc/56/41/87/377564187.db2.gz VICQQYUMOPJCEA-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000470012233 249166267 /nfs/dbraw/zinc/16/62/67/249166267.db2.gz FUYQAUQQCHVYLW-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000470012233 249166269 /nfs/dbraw/zinc/16/62/69/249166269.db2.gz FUYQAUQQCHVYLW-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000515190477 249204792 /nfs/dbraw/zinc/20/47/92/249204792.db2.gz CFTFJZRSTGUSQJ-HOTGVXAUSA-N 2 1 292.467 3.336 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000515190477 249204795 /nfs/dbraw/zinc/20/47/95/249204795.db2.gz CFTFJZRSTGUSQJ-HOTGVXAUSA-N 2 1 292.467 3.336 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000515357083 249209252 /nfs/dbraw/zinc/20/92/52/249209252.db2.gz STMSCSJJPOKBLU-PIIMJCKOSA-N 2 1 270.420 3.039 20 0 CGADMP C[NH+](C)CCC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000516349135 249231344 /nfs/dbraw/zinc/23/13/44/249231344.db2.gz DOVLQLZEQBTPLG-UHFFFAOYSA-N 2 1 293.455 3.136 20 0 CGADMP c1ccc2oc([C@@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)nc2c1 ZINC000178978619 542199278 /nfs/dbraw/zinc/19/92/78/542199278.db2.gz GTEDPKVDNFEPLS-OAHLLOKOSA-N 2 1 299.418 3.007 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000251499215 377585047 /nfs/dbraw/zinc/58/50/47/377585047.db2.gz FLPKOBRCHHZDPD-MJBXVCDLSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000251499215 377585057 /nfs/dbraw/zinc/58/50/57/377585057.db2.gz FLPKOBRCHHZDPD-MJBXVCDLSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OC(F)F)c1 ZINC000517438599 249265509 /nfs/dbraw/zinc/26/55/09/249265509.db2.gz GFLRQVCCFDTIJA-WFASDCNBSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OC(F)F)c1 ZINC000517438599 249265512 /nfs/dbraw/zinc/26/55/12/249265512.db2.gz GFLRQVCCFDTIJA-WFASDCNBSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000517438599 249265513 /nfs/dbraw/zinc/26/55/13/249265513.db2.gz GFLRQVCCFDTIJA-WFASDCNBSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000517438599 249265515 /nfs/dbraw/zinc/26/55/15/249265515.db2.gz GFLRQVCCFDTIJA-WFASDCNBSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000251735732 377595854 /nfs/dbraw/zinc/59/58/54/377595854.db2.gz COSNFTYCBVFRKJ-FMKPAKJESA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000574002521 377604840 /nfs/dbraw/zinc/60/48/40/377604840.db2.gz IARINWSRPMJFSE-YOEHRIQHSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1C ZINC000251914248 377606291 /nfs/dbraw/zinc/60/62/91/377606291.db2.gz UFGIIYXFMPRHRZ-LJIZCISZSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000180392562 542209384 /nfs/dbraw/zinc/20/93/84/542209384.db2.gz YETSTUCVTOKFLE-KRWDZBQOSA-N 2 1 286.463 3.382 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000252177397 377618035 /nfs/dbraw/zinc/61/80/35/377618035.db2.gz SGMPCEDTIXWXND-LEOABGAYSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000342098400 377630764 /nfs/dbraw/zinc/63/07/64/377630764.db2.gz IGMXNIFIVVCMSU-JTQLQIEISA-N 2 1 272.314 3.237 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252513449 377636099 /nfs/dbraw/zinc/63/60/99/377636099.db2.gz QUXNJLCNBOSJNN-BACDZXNISA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252668584 377647249 /nfs/dbraw/zinc/64/72/49/377647249.db2.gz XWBSZUJZKVHEPP-SJORKVTESA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252668584 377647255 /nfs/dbraw/zinc/64/72/55/377647255.db2.gz XWBSZUJZKVHEPP-SJORKVTESA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252667785 377647340 /nfs/dbraw/zinc/64/73/40/377647340.db2.gz NXMIVHUKTMQWRE-STQMWFEESA-N 2 1 293.480 3.157 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252667785 377647345 /nfs/dbraw/zinc/64/73/45/377647345.db2.gz NXMIVHUKTMQWRE-STQMWFEESA-N 2 1 293.480 3.157 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697162 377652674 /nfs/dbraw/zinc/65/26/74/377652674.db2.gz FTFZUKQOOXQHFX-UTUOFQBUSA-N 2 1 252.789 3.070 20 0 CGADMP CCC1CC([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000342685669 377735148 /nfs/dbraw/zinc/73/51/48/377735148.db2.gz CWKWZBSSQSNLIY-UHFFFAOYSA-N 2 1 294.483 3.188 20 0 CGADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000342717637 377753859 /nfs/dbraw/zinc/75/38/59/377753859.db2.gz ADSLIYOAZYBBKD-QZTJIDSGSA-N 2 1 294.483 3.001 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261685823 377839843 /nfs/dbraw/zinc/83/98/43/377839843.db2.gz AKJWOAQTBOAAAA-HNNXBMFYSA-N 2 1 266.816 3.162 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000261568300 377817920 /nfs/dbraw/zinc/81/79/20/377817920.db2.gz JVAAYDOSNSOIIN-JKSUJKDBSA-N 2 1 260.425 3.171 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261683931 377839091 /nfs/dbraw/zinc/83/90/91/377839091.db2.gz AMJULNQWFKARHR-INIZCTEOSA-N 2 1 264.388 3.036 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261683931 377839100 /nfs/dbraw/zinc/83/91/00/377839100.db2.gz AMJULNQWFKARHR-INIZCTEOSA-N 2 1 264.388 3.036 20 0 CGADMP CCC[N@@H+](C[C@@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000261936975 377869216 /nfs/dbraw/zinc/86/92/16/377869216.db2.gz MEIBPXLHBMPVAV-CQSZACIVSA-N 2 1 278.415 3.393 20 0 CGADMP c1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000261933402 377869516 /nfs/dbraw/zinc/86/95/16/377869516.db2.gz LVCXTXXQTONJQT-RDJZCZTQSA-N 2 1 258.409 3.213 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000261993974 377875924 /nfs/dbraw/zinc/87/59/24/377875924.db2.gz SQJBDVOVYRNFMM-MRXNPFEDSA-N 2 1 290.426 3.395 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261994356 377876519 /nfs/dbraw/zinc/87/65/19/377876519.db2.gz KPOWGCOXFWRURK-CZUORRHYSA-N 2 1 280.843 3.202 20 0 CGADMP c1ccc2oc([C@H]3CCCC[N@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000261991159 377876532 /nfs/dbraw/zinc/87/65/32/377876532.db2.gz SIBUQFBDEAULQT-GDBMZVCRSA-N 2 1 299.418 3.354 20 0 CGADMP c1ccc2oc([C@H]3CCCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000261991159 377876534 /nfs/dbraw/zinc/87/65/34/377876534.db2.gz SIBUQFBDEAULQT-GDBMZVCRSA-N 2 1 299.418 3.354 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000262005291 377878027 /nfs/dbraw/zinc/87/80/27/377878027.db2.gz LSIUQGPQLQKSCG-AWEZNQCLSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000262005291 377878034 /nfs/dbraw/zinc/87/80/34/377878034.db2.gz LSIUQGPQLQKSCG-AWEZNQCLSA-N 2 1 287.234 3.425 20 0 CGADMP CC1CCC([N@@H+](C[C@@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262043198 377882429 /nfs/dbraw/zinc/88/24/29/377882429.db2.gz PJCJDKBHPXRKSW-FOIPXRHGSA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc2c(c1)CCC[C@@]21CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262281309 377891969 /nfs/dbraw/zinc/89/19/69/377891969.db2.gz USIAMAKGYHXWPI-FQEVSTJZSA-N 2 1 298.474 3.356 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc(OC)c3ccccc23)CC1 ZINC000261717693 377844426 /nfs/dbraw/zinc/84/44/26/377844426.db2.gz PUBPPQWRXPOVDG-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261772885 377850973 /nfs/dbraw/zinc/85/09/73/377850973.db2.gz MYOUIWMJRHJXHZ-CQSZACIVSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261772885 377850977 /nfs/dbraw/zinc/85/09/77/377850977.db2.gz MYOUIWMJRHJXHZ-CQSZACIVSA-N 2 1 286.341 3.137 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261767899 377851282 /nfs/dbraw/zinc/85/12/82/377851282.db2.gz MGVFOLLYUDTRDH-QGZVFWFLSA-N 2 1 260.425 3.144 20 0 CGADMP c1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccnc2c1 ZINC000575400979 377904797 /nfs/dbraw/zinc/90/47/97/377904797.db2.gz AUONZZYZSPCHIW-JKSUJKDBSA-N 2 1 295.430 3.056 20 0 CGADMP CCCC[C@@H](C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000343541022 378012911 /nfs/dbraw/zinc/01/29/11/378012911.db2.gz WZGKFODWHFUJTM-ZIAGYGMSSA-N 2 1 251.418 3.386 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000577887424 378021213 /nfs/dbraw/zinc/02/12/13/378021213.db2.gz QUMPSCPMIJCFSF-JKSUJKDBSA-N 2 1 264.457 3.443 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000268813825 378119375 /nfs/dbraw/zinc/11/93/75/378119375.db2.gz FPTLHKBNAJYSEO-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000268837050 378127133 /nfs/dbraw/zinc/12/71/33/378127133.db2.gz URHFRRYKRVDRTI-LLVKDONJSA-N 2 1 295.333 3.144 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000268853391 378132111 /nfs/dbraw/zinc/13/21/11/378132111.db2.gz KXYRICQDMDHWML-GOSISDBHSA-N 2 1 283.419 3.193 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000268853476 378132211 /nfs/dbraw/zinc/13/22/11/378132211.db2.gz LAMBJKJMDWNXNZ-CABCVRRESA-N 2 1 271.408 3.363 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000343835222 378108767 /nfs/dbraw/zinc/10/87/67/378108767.db2.gz FPSDYCAXAXTKRG-SFHVURJKSA-N 2 1 290.451 3.043 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000579781230 378193369 /nfs/dbraw/zinc/19/33/69/378193369.db2.gz PFRBSSJFADMKPH-QGZVFWFLSA-N 2 1 288.479 3.410 20 0 CGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000579846827 378201259 /nfs/dbraw/zinc/20/12/59/378201259.db2.gz IREVZQCQNQACNA-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000345148401 378205405 /nfs/dbraw/zinc/20/54/05/378205405.db2.gz WVAAHBVLUUWZBB-UHFFFAOYSA-N 2 1 272.417 3.253 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCc1c[nH+]cn1C ZINC000579968561 378212768 /nfs/dbraw/zinc/21/27/68/378212768.db2.gz FGGSPJIOKNSINR-LBPRGKRZSA-N 2 1 293.361 3.324 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000579968561 378212772 /nfs/dbraw/zinc/21/27/72/378212772.db2.gz FGGSPJIOKNSINR-LBPRGKRZSA-N 2 1 293.361 3.324 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000344031280 378155726 /nfs/dbraw/zinc/15/57/26/378155726.db2.gz HFWHQXISVWDFNJ-SCLBCKFNSA-N 2 1 288.410 3.277 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000344146504 378160646 /nfs/dbraw/zinc/16/06/46/378160646.db2.gz GEBKLVYUGQYUFW-KRWDZBQOSA-N 2 1 283.419 3.298 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000344146504 378160651 /nfs/dbraw/zinc/16/06/51/378160651.db2.gz GEBKLVYUGQYUFW-KRWDZBQOSA-N 2 1 283.419 3.298 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCNc2cc[nH+]cc2Cl)C[C@H](C)O1 ZINC000269056454 378181735 /nfs/dbraw/zinc/18/17/35/378181735.db2.gz SGAJSUFYNNTWHS-BETUJISGSA-N 2 1 297.830 3.036 20 0 CGADMP C[C@@H]1C[N@H+](CCCCNc2cc[nH+]cc2Cl)C[C@H](C)O1 ZINC000269056454 378181741 /nfs/dbraw/zinc/18/17/41/378181741.db2.gz SGAJSUFYNNTWHS-BETUJISGSA-N 2 1 297.830 3.036 20 0 CGADMP CCc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000582235735 378296342 /nfs/dbraw/zinc/29/63/42/378296342.db2.gz BIGMFFSYCLYUEU-ZDUSSCGKSA-N 2 1 278.465 3.275 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000582432782 378314064 /nfs/dbraw/zinc/31/40/64/378314064.db2.gz WCUYEXXTJGWWOH-UHFFFAOYSA-N 2 1 290.451 3.175 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000582432782 378314069 /nfs/dbraw/zinc/31/40/69/378314069.db2.gz WCUYEXXTJGWWOH-UHFFFAOYSA-N 2 1 290.451 3.175 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000270636571 378379055 /nfs/dbraw/zinc/37/90/55/378379055.db2.gz IBCGLCQBHUWVKO-UHFFFAOYSA-N 2 1 269.801 3.038 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(Cl)s1 ZINC000270636571 378379063 /nfs/dbraw/zinc/37/90/63/378379063.db2.gz IBCGLCQBHUWVKO-UHFFFAOYSA-N 2 1 269.801 3.038 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000270659572 378383001 /nfs/dbraw/zinc/38/30/01/378383001.db2.gz QINOLWHOCDPHBR-INIZCTEOSA-N 2 1 287.382 3.210 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000270659572 378383004 /nfs/dbraw/zinc/38/30/04/378383004.db2.gz QINOLWHOCDPHBR-INIZCTEOSA-N 2 1 287.382 3.210 20 0 CGADMP Cc1nccn1CC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000270660606 378384625 /nfs/dbraw/zinc/38/46/25/378384625.db2.gz OSLKREKXWAKONW-CQSZACIVSA-N 2 1 257.381 3.193 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000270660606 378384626 /nfs/dbraw/zinc/38/46/26/378384626.db2.gz OSLKREKXWAKONW-CQSZACIVSA-N 2 1 257.381 3.193 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000270660606 378384632 /nfs/dbraw/zinc/38/46/32/378384632.db2.gz OSLKREKXWAKONW-CQSZACIVSA-N 2 1 257.381 3.193 20 0 CGADMP CC[C@@H](C)C[N@@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346196457 378500742 /nfs/dbraw/zinc/50/07/42/378500742.db2.gz ZKBJOTJKHISZHJ-CQSZACIVSA-N 2 1 286.423 3.444 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000346210785 378506839 /nfs/dbraw/zinc/50/68/39/378506839.db2.gz WCLGUUWWLWJCDF-MNOVXSKESA-N 2 1 277.334 3.148 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000271912254 378514523 /nfs/dbraw/zinc/51/45/23/378514523.db2.gz YCTJJKJFWRKREW-ZWKOTPCHSA-N 2 1 288.410 3.313 20 0 CGADMP C[C@H]([NH2+]Cc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272168967 378577740 /nfs/dbraw/zinc/57/77/40/378577740.db2.gz HJKYAKKUVSTKHM-WMZOPIPTSA-N 2 1 295.430 3.082 20 0 CGADMP C[C@H]([NH2+]Cc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272168967 378577747 /nfs/dbraw/zinc/57/77/47/378577747.db2.gz HJKYAKKUVSTKHM-WMZOPIPTSA-N 2 1 295.430 3.082 20 0 CGADMP CC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274798 378602661 /nfs/dbraw/zinc/60/26/61/378602661.db2.gz CBBNOPOLDQCUSE-UXLLHSPISA-N 2 1 260.425 3.285 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346956072 378697764 /nfs/dbraw/zinc/69/77/64/378697764.db2.gz BXXINPYDEWFPRA-DOTOQJQBSA-N 2 1 290.476 3.085 20 0 CGADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346956072 378697774 /nfs/dbraw/zinc/69/77/74/378697774.db2.gz BXXINPYDEWFPRA-DOTOQJQBSA-N 2 1 290.476 3.085 20 0 CGADMP CO[C@](C)(CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950678 378642022 /nfs/dbraw/zinc/64/20/22/378642022.db2.gz FEAVFYBAJIEYCU-CYGHRXIMSA-N 2 1 294.483 3.139 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2ccccc2n1C ZINC000638336096 378771713 /nfs/dbraw/zinc/77/17/13/378771713.db2.gz YDNWEXDDEUXBTJ-AWEZNQCLSA-N 2 1 296.418 3.109 20 0 CGADMP C[N@H+](CCOc1ccccc1Cl)CC[C@H]1CCC[NH+]1C ZINC000348071474 378777821 /nfs/dbraw/zinc/77/78/21/378777821.db2.gz JRDRSYIAPXRJGQ-CQSZACIVSA-N 2 1 296.842 3.135 20 0 CGADMP C[N@@H+](CCOc1ccccc1Cl)CC[C@H]1CCC[NH+]1C ZINC000348071474 378777828 /nfs/dbraw/zinc/77/78/28/378777828.db2.gz JRDRSYIAPXRJGQ-CQSZACIVSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1ccccc1Cl)CC[C@H]1CCC[N@@H+]1C ZINC000348071474 378777830 /nfs/dbraw/zinc/77/78/30/378777830.db2.gz JRDRSYIAPXRJGQ-CQSZACIVSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1ccccc1Cl)CC[C@H]1CCC[N@H+]1C ZINC000348071474 378777837 /nfs/dbraw/zinc/77/78/37/378777837.db2.gz JRDRSYIAPXRJGQ-CQSZACIVSA-N 2 1 296.842 3.135 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccc(C)c1 ZINC000348076516 378779483 /nfs/dbraw/zinc/77/94/83/378779483.db2.gz NWAGZNXRGZXHQG-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cccc(C)c1 ZINC000348076516 378779490 /nfs/dbraw/zinc/77/94/90/378779490.db2.gz NWAGZNXRGZXHQG-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP CCC[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)OC ZINC000638365703 378779407 /nfs/dbraw/zinc/77/94/07/378779407.db2.gz GXYWQRMNZCRXMG-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc(F)c2N)C1 ZINC000638367794 378781019 /nfs/dbraw/zinc/78/10/19/378781019.db2.gz YCLUXYDTRGHKML-CQSZACIVSA-N 2 1 293.430 3.010 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638368537 378781451 /nfs/dbraw/zinc/78/14/51/378781451.db2.gz AHIYSXXASCDZGM-BARDWOONSA-N 2 1 288.426 3.378 20 0 CGADMP CCOC1CC(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638372659 378782153 /nfs/dbraw/zinc/78/21/53/378782153.db2.gz XWUBISBXRYKHEC-OQSMONGASA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccns2)c1 ZINC000638433803 378801190 /nfs/dbraw/zinc/80/11/90/378801190.db2.gz CPOGDCZQZODKNP-UHFFFAOYSA-N 2 1 289.448 3.273 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784744 218012073 /nfs/dbraw/zinc/01/20/73/218012073.db2.gz YJGSQYBONIURLL-QWQRMKEZSA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784744 218012076 /nfs/dbraw/zinc/01/20/76/218012076.db2.gz YJGSQYBONIURLL-QWQRMKEZSA-N 2 1 283.419 3.053 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000348111403 378797555 /nfs/dbraw/zinc/79/75/55/378797555.db2.gz AWMDDMWPGCUJQH-HOCLYGCPSA-N 2 1 273.424 3.137 20 0 CGADMP C[C@H]([NH2+]C1CC(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274348437 378816520 /nfs/dbraw/zinc/81/65/20/378816520.db2.gz FSZAUGABOCIEMK-FYRJDAGRSA-N 2 1 272.436 3.285 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000638563640 378837283 /nfs/dbraw/zinc/83/72/83/378837283.db2.gz QGQZTIWFSLMDLS-UHFFFAOYSA-N 2 1 299.418 3.294 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000638563640 378837289 /nfs/dbraw/zinc/83/72/89/378837289.db2.gz QGQZTIWFSLMDLS-UHFFFAOYSA-N 2 1 299.418 3.294 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638566912 378838422 /nfs/dbraw/zinc/83/84/22/378838422.db2.gz RPGYABNQZBFGEE-MRXNPFEDSA-N 2 1 299.462 3.388 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)noc1C ZINC000348307728 378899747 /nfs/dbraw/zinc/89/97/47/378899747.db2.gz COEOPGUNZBHLOL-DOTOQJQBSA-N 2 1 293.455 3.282 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000348341804 378918802 /nfs/dbraw/zinc/91/88/02/378918802.db2.gz RUFLPIIQDFFMCK-SJORKVTESA-N 2 1 272.436 3.254 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347036509 218101241 /nfs/dbraw/zinc/10/12/41/218101241.db2.gz GZAFJCOEADXGBP-GDBMZVCRSA-N 2 1 276.424 3.035 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347036509 218101244 /nfs/dbraw/zinc/10/12/44/218101244.db2.gz GZAFJCOEADXGBP-GDBMZVCRSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Cl)c1 ZINC000275217113 378949902 /nfs/dbraw/zinc/94/99/02/378949902.db2.gz BYXQQUHBUMIMSP-SWLSCSKDSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Cl)c1 ZINC000275217113 378949906 /nfs/dbraw/zinc/94/99/06/378949906.db2.gz BYXQQUHBUMIMSP-SWLSCSKDSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Cl)c1 ZINC000275217113 378949912 /nfs/dbraw/zinc/94/99/12/378949912.db2.gz BYXQQUHBUMIMSP-SWLSCSKDSA-N 2 1 266.816 3.112 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000347059553 218108605 /nfs/dbraw/zinc/10/86/05/218108605.db2.gz XJJWRXLALUZFPY-LBPRGKRZSA-N 2 1 290.407 3.335 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348533713 378979929 /nfs/dbraw/zinc/97/99/29/378979929.db2.gz LJIJUHVTKYVWFS-XSWJXKHESA-N 2 1 288.435 3.014 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000347094138 218119556 /nfs/dbraw/zinc/11/95/56/218119556.db2.gz HDAJTLQGOBENGB-CQSZACIVSA-N 2 1 293.480 3.231 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000347110354 218124892 /nfs/dbraw/zinc/12/48/92/218124892.db2.gz PIVGIANLHATMMV-GFCCVEGCSA-N 2 1 290.407 3.335 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000347111866 218126771 /nfs/dbraw/zinc/12/67/71/218126771.db2.gz QCQYUCVOKBMFPV-LBPRGKRZSA-N 2 1 290.407 3.335 20 0 CGADMP CCC[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH2+]CC1 ZINC000347128376 218131152 /nfs/dbraw/zinc/13/11/52/218131152.db2.gz PGNZPCLBQRXVFW-UHFFFAOYSA-N 2 1 298.377 3.252 20 0 CGADMP Cc1scc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1C ZINC000639114515 379038962 /nfs/dbraw/zinc/03/89/62/379038962.db2.gz JVXOJVHDGPZUJB-MRXNPFEDSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000276959459 379029396 /nfs/dbraw/zinc/02/93/96/379029396.db2.gz PVHQNXQUPXGNMI-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000276959459 379029403 /nfs/dbraw/zinc/02/94/03/379029403.db2.gz PVHQNXQUPXGNMI-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000276959459 379029414 /nfs/dbraw/zinc/02/94/14/379029414.db2.gz PVHQNXQUPXGNMI-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000277069321 379058004 /nfs/dbraw/zinc/05/80/04/379058004.db2.gz KOMHSRHDTLKRQM-OAHLLOKOSA-N 2 1 286.423 3.314 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000277069321 379058022 /nfs/dbraw/zinc/05/80/22/379058022.db2.gz KOMHSRHDTLKRQM-OAHLLOKOSA-N 2 1 286.423 3.314 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC000277023657 379047729 /nfs/dbraw/zinc/04/77/29/379047729.db2.gz APXSIRBVHDAJLF-GOSISDBHSA-N 2 1 272.436 3.091 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277122809 379074428 /nfs/dbraw/zinc/07/44/28/379074428.db2.gz HZYBJEWPPDYWSY-MRXNPFEDSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277122809 379074431 /nfs/dbraw/zinc/07/44/31/379074431.db2.gz HZYBJEWPPDYWSY-MRXNPFEDSA-N 2 1 264.388 3.050 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000277249198 379110052 /nfs/dbraw/zinc/11/00/52/379110052.db2.gz QDVIIVBDPDQHFH-AWEZNQCLSA-N 2 1 298.377 3.204 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000277249198 379110063 /nfs/dbraw/zinc/11/00/63/379110063.db2.gz QDVIIVBDPDQHFH-AWEZNQCLSA-N 2 1 298.377 3.204 20 0 CGADMP CCCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC000639177128 379094422 /nfs/dbraw/zinc/09/44/22/379094422.db2.gz AZOPWFGIERPJCV-BPUTZDHNSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC000639177128 379094432 /nfs/dbraw/zinc/09/44/32/379094432.db2.gz AZOPWFGIERPJCV-BPUTZDHNSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000277282611 379117320 /nfs/dbraw/zinc/11/73/20/379117320.db2.gz ADNNQVAPLJXQBM-OAHLLOKOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000277282611 379117329 /nfs/dbraw/zinc/11/73/29/379117329.db2.gz ADNNQVAPLJXQBM-OAHLLOKOSA-N 2 1 264.388 3.050 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(F)c1 ZINC000349419301 379277803 /nfs/dbraw/zinc/27/78/03/379277803.db2.gz OVDOHQZLZWLHCB-UHFFFAOYSA-N 2 1 270.367 3.129 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(F)c1 ZINC000349419301 379277813 /nfs/dbraw/zinc/27/78/13/379277813.db2.gz OVDOHQZLZWLHCB-UHFFFAOYSA-N 2 1 270.367 3.129 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000639482569 379421635 /nfs/dbraw/zinc/42/16/35/379421635.db2.gz CCNCDOLLWDTAHF-UHFFFAOYSA-N 2 1 289.467 3.311 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000639482569 379421643 /nfs/dbraw/zinc/42/16/43/379421643.db2.gz CCNCDOLLWDTAHF-UHFFFAOYSA-N 2 1 289.467 3.311 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000374605618 379467078 /nfs/dbraw/zinc/46/70/78/379467078.db2.gz SHEXWLMYBHMVNH-DFQSSKMNSA-N 2 1 298.474 3.472 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684772 379546110 /nfs/dbraw/zinc/54/61/10/379546110.db2.gz YMNANJJPDQSMLJ-AWEZNQCLSA-N 2 1 297.393 3.275 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000639980427 379671937 /nfs/dbraw/zinc/67/19/37/379671937.db2.gz XGGSJMXQFMVMRH-INIZCTEOSA-N 2 1 296.524 3.470 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000639980427 379671945 /nfs/dbraw/zinc/67/19/45/379671945.db2.gz XGGSJMXQFMVMRH-INIZCTEOSA-N 2 1 296.524 3.470 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000267366289 190324422 /nfs/dbraw/zinc/32/44/22/190324422.db2.gz IYCLEWSVPKSWFI-MNOVXSKESA-N 2 1 253.777 3.020 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352489196 379833976 /nfs/dbraw/zinc/83/39/76/379833976.db2.gz YOVWMQOWXHQFGS-INIZCTEOSA-N 2 1 276.424 3.177 20 0 CGADMP COc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1F ZINC000352487540 379834235 /nfs/dbraw/zinc/83/42/35/379834235.db2.gz GBEUXKJGEHKYFQ-UHFFFAOYSA-N 2 1 294.414 3.175 20 0 CGADMP Cc1nc2ccc(C[N@H+]3CCCC[C@H]3CC[NH3+])cc2s1 ZINC000352524557 379844821 /nfs/dbraw/zinc/84/48/21/379844821.db2.gz CAJWALWJMHCBGG-AWEZNQCLSA-N 2 1 289.448 3.308 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000352540012 379848274 /nfs/dbraw/zinc/84/82/74/379848274.db2.gz GCDIKKWAIFCLDM-CQSZACIVSA-N 2 1 298.377 3.034 20 0 CGADMP CCCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000391810267 379909963 /nfs/dbraw/zinc/90/99/63/379909963.db2.gz NDIFBWHTTUZNDU-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000387713240 379879243 /nfs/dbraw/zinc/87/92/43/379879243.db2.gz ZGZXJHBBOQPTHS-BBRMVZONSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389312821 379895676 /nfs/dbraw/zinc/89/56/76/379895676.db2.gz RHJJJEWWLYWPIZ-BBWFWOEESA-N 2 1 258.409 3.069 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000279024644 194254060 /nfs/dbraw/zinc/25/40/60/194254060.db2.gz VGBOSHLTTRNCDR-QAPCUYQASA-N 2 1 283.419 3.432 20 0 CGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCC4CC4)C3)C2)cc1 ZINC000352819082 379978924 /nfs/dbraw/zinc/97/89/24/379978924.db2.gz WLJUISVBHOVWOV-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCC4CC4)C3)C2)cc1 ZINC000352819082 379978927 /nfs/dbraw/zinc/97/89/27/379978927.db2.gz WLJUISVBHOVWOV-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCC4CC4)C3)C2)cc1 ZINC000352819082 379978936 /nfs/dbraw/zinc/97/89/36/379978936.db2.gz WLJUISVBHOVWOV-IBGZPJMESA-N 2 1 284.447 3.385 20 0 CGADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000352766481 379947991 /nfs/dbraw/zinc/94/79/91/379947991.db2.gz XFXCZJUTKATAPY-LBPRGKRZSA-N 2 1 281.469 3.263 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)CCCn2ccnc2)c1 ZINC000283863308 380098332 /nfs/dbraw/zinc/09/83/32/380098332.db2.gz IAYHTIVQUWDTEL-UHFFFAOYSA-N 2 1 287.407 3.194 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000353130227 380131394 /nfs/dbraw/zinc/13/13/94/380131394.db2.gz OERAGPTYANSFDU-IJEWVQPXSA-N 2 1 273.424 3.206 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000414179477 380200367 /nfs/dbraw/zinc/20/03/67/380200367.db2.gz KTGXKZAPQUFIAT-AWEZNQCLSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000353906971 380227443 /nfs/dbraw/zinc/22/74/43/380227443.db2.gz BYZJSNYQEOSCBB-HUUCEWRRSA-N 2 1 269.392 3.493 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000354101105 380324425 /nfs/dbraw/zinc/32/44/25/380324425.db2.gz QSOJRTWRLWSMEM-CQSZACIVSA-N 2 1 294.389 3.129 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502016 380324847 /nfs/dbraw/zinc/32/48/47/380324847.db2.gz VWUHKHNYQLBPBM-QZTJIDSGSA-N 2 1 272.436 3.048 20 0 CGADMP Clc1ccc([C@H]2CCC[C@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506539 380327947 /nfs/dbraw/zinc/32/79/47/380327947.db2.gz AJXUXWHIWCMTIA-HZPDHXFCSA-N 2 1 278.827 3.318 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@@H](C)C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643468365 380315878 /nfs/dbraw/zinc/31/58/78/380315878.db2.gz WUKGMKLOIXLGDM-BVGQSLNGSA-N 2 1 288.435 3.124 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)o1 ZINC000643547956 380363429 /nfs/dbraw/zinc/36/34/29/380363429.db2.gz LGJYZJSXHBQTCP-GXTWGEPZSA-N 2 1 262.397 3.222 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCSC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414671591 380363888 /nfs/dbraw/zinc/36/38/88/380363888.db2.gz GNELJMNQLUPGOE-HLLBOEOZSA-N 2 1 290.476 3.165 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643548924 380365645 /nfs/dbraw/zinc/36/56/45/380365645.db2.gz XNUKKUURVMHMRF-ZBFHGGJFSA-N 2 1 273.424 3.187 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000414678560 380369719 /nfs/dbraw/zinc/36/97/19/380369719.db2.gz KQCLNWSGWCVIDB-CKEIUWERSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC000414694692 380377916 /nfs/dbraw/zinc/37/79/16/380377916.db2.gz NLQUIQMHMHYGDT-IJEWVQPXSA-N 2 1 276.399 3.003 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000414700702 380379544 /nfs/dbraw/zinc/37/95/44/380379544.db2.gz VBALWYNYFQGAPG-HZPDHXFCSA-N 2 1 290.451 3.132 20 0 CGADMP CC[N@@H+](CC1CCCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000414713126 380385653 /nfs/dbraw/zinc/38/56/53/380385653.db2.gz KBVDXLYODUUEOK-MRXNPFEDSA-N 2 1 252.446 3.421 20 0 CGADMP [NH3+][C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000414743708 380391730 /nfs/dbraw/zinc/39/17/30/380391730.db2.gz VYQMHJZYQRMBCB-LWYYNNOASA-N 2 1 292.426 3.217 20 0 CGADMP [NH3+][C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000414743708 380391737 /nfs/dbraw/zinc/39/17/37/380391737.db2.gz VYQMHJZYQRMBCB-LWYYNNOASA-N 2 1 292.426 3.217 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414756536 380393116 /nfs/dbraw/zinc/39/31/16/380393116.db2.gz JZADZIPLYNRCHA-IKGGRYGDSA-N 2 1 274.452 3.246 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000354199150 380361939 /nfs/dbraw/zinc/36/19/39/380361939.db2.gz NPOSPRRGUQWGEJ-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000354199150 380361943 /nfs/dbraw/zinc/36/19/43/380361943.db2.gz NPOSPRRGUQWGEJ-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414669947 380362134 /nfs/dbraw/zinc/36/21/34/380362134.db2.gz CGKVSYYXLCVORR-JKIFEVAISA-N 2 1 276.399 3.351 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000414818956 380430083 /nfs/dbraw/zinc/43/00/83/380430083.db2.gz XICUMMNECYCKSX-DOTOQJQBSA-N 2 1 262.441 3.362 20 0 CGADMP CC[NH2+]CC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414842521 380448070 /nfs/dbraw/zinc/44/80/70/380448070.db2.gz IQJFPLHIWCJXGL-UHFFFAOYSA-N 2 1 260.425 3.160 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414843370 380449834 /nfs/dbraw/zinc/44/98/34/380449834.db2.gz BTYIXPLOOVAKDM-WDEREUQCSA-N 2 1 287.234 3.471 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2coc3ccccc23)CCCCC1 ZINC000414847361 380451791 /nfs/dbraw/zinc/45/17/91/380451791.db2.gz URGJDUHKKCATAY-UHFFFAOYSA-N 2 1 258.365 3.184 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771723 380397389 /nfs/dbraw/zinc/39/73/89/380397389.db2.gz AHSXEFHNCOHBDD-CABCVRRESA-N 2 1 284.403 3.254 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc3cnccc3c1)CC[NH2+]CC2 ZINC000643973807 380403651 /nfs/dbraw/zinc/40/36/51/380403651.db2.gz ZNABVXROBWEPQL-OAHLLOKOSA-N 2 1 295.430 3.199 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414794732 380408787 /nfs/dbraw/zinc/40/87/87/380408787.db2.gz MBJUROYVDRICFB-GFCCVEGCSA-N 2 1 261.196 3.066 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)C1CC1 ZINC000414792741 380409102 /nfs/dbraw/zinc/40/91/02/380409102.db2.gz CSUXQEBTDUBVDC-BDVYOWHSSA-N 2 1 258.409 3.040 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])co2)cc1 ZINC000414796318 380410406 /nfs/dbraw/zinc/41/04/06/380410406.db2.gz HMOAFWCNBSGVDO-WBVHZDCISA-N 2 1 299.418 3.257 20 0 CGADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000414798317 380411987 /nfs/dbraw/zinc/41/19/87/380411987.db2.gz BZAFKHSWHWJBHW-YGRLFVJLSA-N 2 1 286.341 3.136 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414810846 380421856 /nfs/dbraw/zinc/42/18/56/380421856.db2.gz OTBCAPQPCVWBLE-UHFFFAOYSA-N 2 1 264.344 3.179 20 0 CGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414915038 380487471 /nfs/dbraw/zinc/48/74/71/380487471.db2.gz LVDUXOPJIQRWOW-OAHLLOKOSA-N 2 1 270.376 3.178 20 0 CGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414915037 380488183 /nfs/dbraw/zinc/48/81/83/380488183.db2.gz LVDUXOPJIQRWOW-HNNXBMFYSA-N 2 1 270.376 3.178 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414935223 380496005 /nfs/dbraw/zinc/49/60/05/380496005.db2.gz AZWMAGYWCLCKLL-LRDDRELGSA-N 2 1 288.366 3.173 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000414935920 380496174 /nfs/dbraw/zinc/49/61/74/380496174.db2.gz WJWWLVROJZKCFQ-APWZRJJASA-N 2 1 282.431 3.167 20 0 CGADMP C[C@H](C[NH3+])[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000414939574 380497610 /nfs/dbraw/zinc/49/76/10/380497610.db2.gz YZXMXDLHZGQALM-UONOGXRCSA-N 2 1 262.441 3.100 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CCCC1 ZINC000415073115 380506880 /nfs/dbraw/zinc/50/68/80/380506880.db2.gz ZCMAAPIXKYVSLV-OAGGEKHMSA-N 2 1 250.430 3.062 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)c(C)s1 ZINC000415126712 380508813 /nfs/dbraw/zinc/50/88/13/380508813.db2.gz UYODWUJLKHEDHO-DGCLKSJQSA-N 2 1 254.443 3.389 20 0 CGADMP CC1(C)CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414869077 380466874 /nfs/dbraw/zinc/46/68/74/380466874.db2.gz BKLXYWSGFOZGNJ-UHFFFAOYSA-N 2 1 275.440 3.120 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000414886225 380473687 /nfs/dbraw/zinc/47/36/87/380473687.db2.gz VPZXMWPBHCSFLG-QZTJIDSGSA-N 2 1 287.451 3.120 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(F)c(-c2cccs2)c1)C1CC1 ZINC000414897254 380478399 /nfs/dbraw/zinc/47/83/99/380478399.db2.gz QWOMZICNHWIETC-HNNXBMFYSA-N 2 1 290.407 3.381 20 0 CGADMP Clc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414903627 380482271 /nfs/dbraw/zinc/48/22/71/380482271.db2.gz ITRIEROEMAEERD-LLVKDONJSA-N 2 1 273.207 3.225 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1C(C)(C)C1(C)C ZINC000355120492 380583018 /nfs/dbraw/zinc/58/30/18/380583018.db2.gz GZUOTIAHKWPGAO-GJZGRUSLSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1cccc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000354846313 380559312 /nfs/dbraw/zinc/55/93/12/380559312.db2.gz JQQCJBGPRJXUAI-UHFFFAOYSA-N 2 1 296.418 3.138 20 0 CGADMP C[C@H](O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000354851786 380561032 /nfs/dbraw/zinc/56/10/32/380561032.db2.gz IWCIOBCGEDFMEX-SJORKVTESA-N 2 1 296.499 3.124 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000355110137 380578616 /nfs/dbraw/zinc/57/86/16/380578616.db2.gz BGZUXWMZQMHSTB-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000355110137 380578619 /nfs/dbraw/zinc/57/86/19/380578619.db2.gz BGZUXWMZQMHSTB-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417320644 380591669 /nfs/dbraw/zinc/59/16/69/380591669.db2.gz KGBHGOXJXYATTB-VHDGCEQUSA-N 2 1 289.448 3.425 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417330769 380595031 /nfs/dbraw/zinc/59/50/31/380595031.db2.gz VMLVTRBCOPNASE-LUYZLQTOSA-N 2 1 290.476 3.314 20 0 CGADMP C1C([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC12CCCCC2 ZINC000421332832 380876121 /nfs/dbraw/zinc/87/61/21/380876121.db2.gz MJARYOCEERMDLX-HOTGVXAUSA-N 2 1 262.441 3.316 20 0 CGADMP C1C([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC12CCCCC2 ZINC000421332832 380876133 /nfs/dbraw/zinc/87/61/33/380876133.db2.gz MJARYOCEERMDLX-HOTGVXAUSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000356704382 380830381 /nfs/dbraw/zinc/83/03/81/380830381.db2.gz VUTJPRWDFSKFEH-PBHICJAKSA-N 2 1 290.426 3.078 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420312629 380847468 /nfs/dbraw/zinc/84/74/68/380847468.db2.gz SSQFAQIAEZNXFY-MRXNPFEDSA-N 2 1 290.838 3.403 20 0 CGADMP Clc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420315932 380847674 /nfs/dbraw/zinc/84/76/74/380847674.db2.gz LYEQSWQDKJEHNV-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357104029 381030169 /nfs/dbraw/zinc/03/01/69/381030169.db2.gz KVIWEEFEEDOBNA-ZIAGYGMSSA-N 2 1 284.403 3.037 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358409656 381310486 /nfs/dbraw/zinc/31/04/86/381310486.db2.gz WTUQQCQLGXQRGF-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+](CC)CC)C12CCCC2 ZINC000224460232 542289022 /nfs/dbraw/zinc/28/90/22/542289022.db2.gz TVAFQQNDDFLPKD-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000227171020 542292804 /nfs/dbraw/zinc/29/28/04/542292804.db2.gz SOBLIGOLBAHESG-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000245642663 542322624 /nfs/dbraw/zinc/32/26/24/542322624.db2.gz DXBYOSXHOGQKEH-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000245642663 542322628 /nfs/dbraw/zinc/32/26/28/542322628.db2.gz DXBYOSXHOGQKEH-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000245642663 542322632 /nfs/dbraw/zinc/32/26/32/542322632.db2.gz DXBYOSXHOGQKEH-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000251657739 542347328 /nfs/dbraw/zinc/34/73/28/542347328.db2.gz FWUSCZNFUZWDOF-NXOAAHMSSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000250116878 542342000 /nfs/dbraw/zinc/34/20/00/542342000.db2.gz QNMAUCALANQMAP-QBPKDAKJSA-N 2 1 266.473 3.379 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000280891791 195017222 /nfs/dbraw/zinc/01/72/22/195017222.db2.gz QBENQSJRHMDUJH-CKEIUWERSA-N 2 1 292.492 3.269 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2)C[C@@H]1C ZINC000353753353 220306943 /nfs/dbraw/zinc/30/69/43/220306943.db2.gz WHDVNHVJFJSUFY-DOTOQJQBSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C[C@@H]1C ZINC000353753353 220306945 /nfs/dbraw/zinc/30/69/45/220306945.db2.gz WHDVNHVJFJSUFY-DOTOQJQBSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C[C@@H]1C ZINC000353753353 220306948 /nfs/dbraw/zinc/30/69/48/220306948.db2.gz WHDVNHVJFJSUFY-DOTOQJQBSA-N 2 1 260.425 3.300 20 0 CGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CC1 ZINC000350510715 219031908 /nfs/dbraw/zinc/03/19/08/219031908.db2.gz IOFYWDSWYFXVAQ-ZWKOTPCHSA-N 2 1 272.436 3.069 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289185220 197256599 /nfs/dbraw/zinc/25/65/99/197256599.db2.gz IOLYCBLAGDOLHD-QGZVFWFLSA-N 2 1 294.402 3.340 20 0 CGADMP COC[C@@H](CC(C)C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000359935840 285218302 /nfs/dbraw/zinc/21/83/02/285218302.db2.gz QMEJVFQOBQDOLG-DLBZAZTESA-N 2 1 284.488 3.149 20 0 CGADMP C[C@@H](CF)[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000288406673 197069888 /nfs/dbraw/zinc/06/98/88/197069888.db2.gz IMCDYBKKBAQHRN-AWEZNQCLSA-N 2 1 266.404 3.092 20 0 CGADMP C[C@@H](CF)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000288406673 197069890 /nfs/dbraw/zinc/06/98/90/197069890.db2.gz IMCDYBKKBAQHRN-AWEZNQCLSA-N 2 1 266.404 3.092 20 0 CGADMP C[C@@H](CF)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000288406673 197069892 /nfs/dbraw/zinc/06/98/92/197069892.db2.gz IMCDYBKKBAQHRN-AWEZNQCLSA-N 2 1 266.404 3.092 20 0 CGADMP CCc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298240941 542410530 /nfs/dbraw/zinc/41/05/30/542410530.db2.gz CJDQIBZWOAREAJ-UHFFFAOYSA-N 2 1 272.436 3.008 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)C[C@@H]1c1ccccc1 ZINC000334520231 542458376 /nfs/dbraw/zinc/45/83/76/542458376.db2.gz NYXJOEYQJKBUMX-KZYLPZIUSA-N 2 1 276.399 3.302 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)C[C@@H]1c1ccccc1 ZINC000334520231 542458377 /nfs/dbraw/zinc/45/83/77/542458377.db2.gz NYXJOEYQJKBUMX-KZYLPZIUSA-N 2 1 276.399 3.302 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281762512 195370653 /nfs/dbraw/zinc/37/06/53/195370653.db2.gz WKYRRFMWAWADIN-QGZVFWFLSA-N 2 1 291.414 3.134 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCC[NH+]2C(C)C)C[C@@H]1C ZINC000450466854 285397217 /nfs/dbraw/zinc/39/72/17/285397217.db2.gz JYTRGEJJQPAHPJ-OKZBNKHCSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000450466854 285397219 /nfs/dbraw/zinc/39/72/19/285397219.db2.gz JYTRGEJJQPAHPJ-OKZBNKHCSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1C ZINC000450466854 285397221 /nfs/dbraw/zinc/39/72/21/285397221.db2.gz JYTRGEJJQPAHPJ-OKZBNKHCSA-N 2 1 295.515 3.054 20 0 CGADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446750210 285399269 /nfs/dbraw/zinc/39/92/69/285399269.db2.gz FWSWJRNSBYZCBN-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000480788269 533358249 /nfs/dbraw/zinc/35/82/49/533358249.db2.gz QXUNUMULMCHEJW-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1C ZINC000359190256 533395587 /nfs/dbraw/zinc/39/55/87/533395587.db2.gz NDFLODLYVGEOEE-UHFFFAOYSA-N 2 1 290.451 3.134 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2c(s1)CCCC2 ZINC000423322661 533429780 /nfs/dbraw/zinc/42/97/80/533429780.db2.gz OCAOCOOFNZAJHJ-MFKMUULPSA-N 2 1 264.438 3.015 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423286183 533509389 /nfs/dbraw/zinc/50/93/89/533509389.db2.gz ZUCYQIPFUSKYAN-KLHWPWHYSA-N 2 1 284.856 3.220 20 0 CGADMP CCc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000189656197 130004751 /nfs/dbraw/zinc/00/47/51/130004751.db2.gz YNDVCMVXQUUTPL-UHFFFAOYSA-N 2 1 260.425 3.211 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC000380768844 542595626 /nfs/dbraw/zinc/59/56/26/542595626.db2.gz RGRACIDVUZBGHP-ROUUACIJSA-N 2 1 270.420 3.125 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383433794 542599967 /nfs/dbraw/zinc/59/99/67/542599967.db2.gz XQHMPEBAESVHFQ-WQGACYEGSA-N 2 1 280.362 3.087 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383433794 542599971 /nfs/dbraw/zinc/59/99/71/542599971.db2.gz XQHMPEBAESVHFQ-WQGACYEGSA-N 2 1 280.362 3.087 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392197930 542612268 /nfs/dbraw/zinc/61/22/68/542612268.db2.gz VMKPUJFSTSQGFJ-DJIMGWMZSA-N 2 1 264.457 3.299 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccsc1 ZINC000191222208 130204197 /nfs/dbraw/zinc/20/41/97/130204197.db2.gz SXWXGJPGMLFPCV-INIZCTEOSA-N 2 1 296.480 3.290 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CS1 ZINC000414238179 542635033 /nfs/dbraw/zinc/63/50/33/542635033.db2.gz XEYFESWHXBRKEY-MXASKKJJSA-N 2 1 290.476 3.306 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CS1 ZINC000414238179 542635036 /nfs/dbraw/zinc/63/50/36/542635036.db2.gz XEYFESWHXBRKEY-MXASKKJJSA-N 2 1 290.476 3.306 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000406133076 542628109 /nfs/dbraw/zinc/62/81/09/542628109.db2.gz XYEZSWHVRZOERN-HOCLYGCPSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)[C@@H]1C ZINC000049799979 392058659 /nfs/dbraw/zinc/05/86/59/392058659.db2.gz GIRLTQYKKFEXOH-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](CC)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425973426 542648934 /nfs/dbraw/zinc/64/89/34/542648934.db2.gz IUCZREVEYCUBDE-HRCADAONSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@H](CC)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425973426 542648936 /nfs/dbraw/zinc/64/89/36/542648936.db2.gz IUCZREVEYCUBDE-HRCADAONSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@H](CC)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425973426 542648939 /nfs/dbraw/zinc/64/89/39/542648939.db2.gz IUCZREVEYCUBDE-HRCADAONSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000070171398 392178930 /nfs/dbraw/zinc/17/89/30/392178930.db2.gz BABUHIVGNAPVQY-RYUDHWBXSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000070171398 392178931 /nfs/dbraw/zinc/17/89/31/392178931.db2.gz BABUHIVGNAPVQY-RYUDHWBXSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000361803609 392326858 /nfs/dbraw/zinc/32/68/58/392326858.db2.gz HPJGYNZZYWVEIH-HNAYVOBHSA-N 2 1 295.430 3.178 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000237379375 131026631 /nfs/dbraw/zinc/02/66/31/131026631.db2.gz ZLXKCGKFHUTUCY-ZDUSSCGKSA-N 2 1 282.391 3.099 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000249378458 131120762 /nfs/dbraw/zinc/12/07/62/131120762.db2.gz NXEGCARUFVFBSK-VXGBXAGGSA-N 2 1 284.806 3.472 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000249379582 131121462 /nfs/dbraw/zinc/12/14/62/131121462.db2.gz PLHBWNIMAACWLS-MNOVXSKESA-N 2 1 272.845 3.394 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000289326893 392420615 /nfs/dbraw/zinc/42/06/15/392420615.db2.gz UISQOLPEXVWEFS-DOTOQJQBSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000289326893 392420621 /nfs/dbraw/zinc/42/06/21/392420621.db2.gz UISQOLPEXVWEFS-DOTOQJQBSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C/c1ccccc1 ZINC000290601046 392452676 /nfs/dbraw/zinc/45/26/76/392452676.db2.gz VXEPSSGPMUCWLV-UXBLZVDNSA-N 2 1 269.392 3.227 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C/c1ccccc1 ZINC000290601046 392452683 /nfs/dbraw/zinc/45/26/83/392452683.db2.gz VXEPSSGPMUCWLV-UXBLZVDNSA-N 2 1 269.392 3.227 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000367093059 392472046 /nfs/dbraw/zinc/47/20/46/392472046.db2.gz IXYBPMTUZNBUKL-XSLAGTTESA-N 2 1 284.447 3.457 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000147771293 392480554 /nfs/dbraw/zinc/48/05/54/392480554.db2.gz CSETYRNTRPZMEA-KRWDZBQOSA-N 2 1 276.399 3.275 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000369721338 392499104 /nfs/dbraw/zinc/49/91/04/392499104.db2.gz MTTRSNPLOVTDRD-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP CS[C@@H]1CCCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000372182314 392591738 /nfs/dbraw/zinc/59/17/38/392591738.db2.gz VSRPCIDLNCYNKM-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP CS[C@@H]1CCCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000372182314 392591746 /nfs/dbraw/zinc/59/17/46/392591746.db2.gz VSRPCIDLNCYNKM-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000162223857 392592761 /nfs/dbraw/zinc/59/27/61/392592761.db2.gz OBWJSLZCSIEFBN-JKSUJKDBSA-N 2 1 293.480 3.332 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000162223857 392592766 /nfs/dbraw/zinc/59/27/66/392592766.db2.gz OBWJSLZCSIEFBN-JKSUJKDBSA-N 2 1 293.480 3.332 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000156461071 392547648 /nfs/dbraw/zinc/54/76/48/392547648.db2.gz JFZOXKHAPUYHAS-CVEARBPZSA-N 2 1 275.440 3.244 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000371734681 392549063 /nfs/dbraw/zinc/54/90/63/392549063.db2.gz GVXMSNDSTMNJPR-XIRDDKMYSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000177892388 392669196 /nfs/dbraw/zinc/66/91/96/392669196.db2.gz LVEBKVSRUOIENK-NQBHXWOUSA-N 2 1 286.872 3.262 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000647325830 392669199 /nfs/dbraw/zinc/66/91/99/392669199.db2.gz QOYRPELLGPSYER-VDHUWJSZSA-N 2 1 272.436 3.110 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343355 392693346 /nfs/dbraw/zinc/69/33/46/392693346.db2.gz MUDUEAAQUAJWMX-IDCNUPLLSA-N 2 1 274.452 3.356 20 0 CGADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372577776 392619979 /nfs/dbraw/zinc/61/99/79/392619979.db2.gz ZKHRHPYQVBXPID-XIRDDKMYSA-N 2 1 275.440 3.052 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173908356 392630493 /nfs/dbraw/zinc/63/04/93/392630493.db2.gz JCDWWSZJBRWNAL-WBVHZDCISA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173908356 392630497 /nfs/dbraw/zinc/63/04/97/392630497.db2.gz JCDWWSZJBRWNAL-WBVHZDCISA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173908356 392630500 /nfs/dbraw/zinc/63/05/00/392630500.db2.gz JCDWWSZJBRWNAL-WBVHZDCISA-N 2 1 260.425 3.411 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647288714 392638428 /nfs/dbraw/zinc/63/84/28/392638428.db2.gz LTDRHQPSTKUDDP-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308770007 392656364 /nfs/dbraw/zinc/65/63/64/392656364.db2.gz MJKHCFNIBYZTCZ-IIAWOOMASA-N 2 1 264.457 3.441 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H](C)CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000647499108 392742414 /nfs/dbraw/zinc/74/24/14/392742414.db2.gz ZNPBSZWFGRNXRQ-NXHRZFHOSA-N 2 1 274.452 3.315 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC[NH2+]C1 ZINC000647513685 392745709 /nfs/dbraw/zinc/74/57/09/392745709.db2.gz YOLPFHAJIPPSAZ-KBXCAEBGSA-N 2 1 299.418 3.007 20 0 CGADMP Fc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543295 392760937 /nfs/dbraw/zinc/76/09/37/392760937.db2.gz KQKNZIJJSSEGFE-HUUCEWRRSA-N 2 1 276.399 3.037 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000375637804 392797535 /nfs/dbraw/zinc/79/75/35/392797535.db2.gz DEPBDRJDZPYTIM-MAUKXSAKSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000375637794 392798283 /nfs/dbraw/zinc/79/82/83/392798283.db2.gz DEPBDRJDZPYTIM-CRAIPNDOSA-N 2 1 272.436 3.287 20 0 CGADMP c1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2o1 ZINC000375661473 392800820 /nfs/dbraw/zinc/80/08/20/392800820.db2.gz VKIFLAMWIVYCBC-JKSUJKDBSA-N 2 1 270.376 3.149 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)[NH+]1CCCC1 ZINC000510676663 392808364 /nfs/dbraw/zinc/80/83/64/392808364.db2.gz VOUITWIVEKEFHH-ARFHVFGLSA-N 2 1 270.436 3.369 20 0 CGADMP FC(F)c1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815517 392808619 /nfs/dbraw/zinc/80/86/19/392808619.db2.gz VSBTWWVBQQOXMM-UHFFFAOYSA-N 2 1 280.362 3.341 20 0 CGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000647878597 392820152 /nfs/dbraw/zinc/82/01/52/392820152.db2.gz SMYVBTIYSCCLEC-INIZCTEOSA-N 2 1 268.404 3.271 20 0 CGADMP Fc1cccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647879559 392821472 /nfs/dbraw/zinc/82/14/72/392821472.db2.gz PBSFQRJCRJAVND-HNNXBMFYSA-N 2 1 276.399 3.180 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647880310 392822821 /nfs/dbraw/zinc/82/28/21/392822821.db2.gz FCMOTKVOCYMTGD-JTQLQIEISA-N 2 1 273.207 3.035 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647880310 392822830 /nfs/dbraw/zinc/82/28/30/392822830.db2.gz FCMOTKVOCYMTGD-JTQLQIEISA-N 2 1 273.207 3.035 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647884150 392824384 /nfs/dbraw/zinc/82/43/84/392824384.db2.gz UPHJSAFNAKHENN-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1ccc(CC[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000647891429 392829107 /nfs/dbraw/zinc/82/91/07/392829107.db2.gz BDOPVEPSITXXQU-INIZCTEOSA-N 2 1 290.426 3.222 20 0 CGADMP CO[C@@H](C[N@@H+](CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000379214143 392901426 /nfs/dbraw/zinc/90/14/26/392901426.db2.gz OAQWXSMXRWWZKW-IBGZPJMESA-N 2 1 298.430 3.225 20 0 CGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCC1CCCCC1)CCO2 ZINC000648072177 392904916 /nfs/dbraw/zinc/90/49/16/392904916.db2.gz QENUXKIELAGPCY-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000647991890 392858988 /nfs/dbraw/zinc/85/89/88/392858988.db2.gz AIAHKUYXUMXJSC-GXFFZTMASA-N 2 1 290.304 3.018 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000336811453 392869603 /nfs/dbraw/zinc/86/96/03/392869603.db2.gz NBIRLOUHJTUPEV-FHIRATQRSA-N 2 1 258.409 3.307 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000336811453 392869605 /nfs/dbraw/zinc/86/96/05/392869605.db2.gz NBIRLOUHJTUPEV-FHIRATQRSA-N 2 1 258.409 3.307 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H](C2CC2)C1)[NH+]1CC[C@H](C2CC2)C1 ZINC000491242811 542717280 /nfs/dbraw/zinc/71/72/80/542717280.db2.gz IWDRQSHIJIVOBA-JLSDUUJJSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H](C2CC2)C1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491242811 542717284 /nfs/dbraw/zinc/71/72/84/542717284.db2.gz IWDRQSHIJIVOBA-JLSDUUJJSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H](C2CC2)C1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491242811 542717288 /nfs/dbraw/zinc/71/72/88/542717288.db2.gz IWDRQSHIJIVOBA-JLSDUUJJSA-N 2 1 276.468 3.229 20 0 CGADMP Cc1cc(Cl)cc(CNCCC[N@H+](C)C(C)C)c1 ZINC000395140155 392941143 /nfs/dbraw/zinc/94/11/43/392941143.db2.gz BWWXYAILEUCVOM-UHFFFAOYSA-N 2 1 268.832 3.468 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000395140155 392941149 /nfs/dbraw/zinc/94/11/49/392941149.db2.gz BWWXYAILEUCVOM-UHFFFAOYSA-N 2 1 268.832 3.468 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000395140155 392941154 /nfs/dbraw/zinc/94/11/54/392941154.db2.gz BWWXYAILEUCVOM-UHFFFAOYSA-N 2 1 268.832 3.468 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000525991057 392953114 /nfs/dbraw/zinc/95/31/14/392953114.db2.gz AJVXQQPYVIQVCK-AWEZNQCLSA-N 2 1 282.378 3.446 20 0 CGADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)C[C@@H](C)C1 ZINC000461359911 392963519 /nfs/dbraw/zinc/96/35/19/392963519.db2.gz GRHKIMPLAWQEHF-HZMVEIRTSA-N 2 1 266.473 3.332 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000648433219 393014328 /nfs/dbraw/zinc/01/43/28/393014328.db2.gz MQMKQKKFVRHDGN-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000648433219 393014333 /nfs/dbraw/zinc/01/43/33/393014333.db2.gz MQMKQKKFVRHDGN-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP COCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402326 393086822 /nfs/dbraw/zinc/08/68/22/393086822.db2.gz NDTIQGMJQXZLLA-JYJNAYRXSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000415012615 393094767 /nfs/dbraw/zinc/09/47/67/393094767.db2.gz SVNBYGIIYYKDPR-MNOVXSKESA-N 2 1 278.396 3.380 20 0 CGADMP CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346825178 393096235 /nfs/dbraw/zinc/09/62/35/393096235.db2.gz AURMRIDESFZOTM-WBVHZDCISA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000344221575 393039274 /nfs/dbraw/zinc/03/92/74/393039274.db2.gz MXGAAQTYFMJNRV-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000344221575 393039281 /nfs/dbraw/zinc/03/92/81/393039281.db2.gz MXGAAQTYFMJNRV-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000414192638 393044034 /nfs/dbraw/zinc/04/40/34/393044034.db2.gz STHIMZZOXPOTTJ-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(OC(F)F)cc1C ZINC000414949923 393057752 /nfs/dbraw/zinc/05/77/52/393057752.db2.gz OAXANQDLYJUUCV-JSGCOSHPSA-N 2 1 298.377 3.135 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)C[NH3+] ZINC000414921416 393059189 /nfs/dbraw/zinc/05/91/89/393059189.db2.gz BFORNCKTSLUGLU-SKDRFNHKSA-N 2 1 275.223 3.251 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000415038230 393106718 /nfs/dbraw/zinc/10/67/18/393106718.db2.gz HUESOZKICWXJNL-ROUUACIJSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414957307 393065383 /nfs/dbraw/zinc/06/53/83/393065383.db2.gz OHOUUAJRNDFPPP-YOEHRIQHSA-N 2 1 288.435 3.096 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246918461 393066461 /nfs/dbraw/zinc/06/64/61/393066461.db2.gz GHIKIELIIQGJPV-GJZGRUSLSA-N 2 1 282.472 3.043 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648495884 393068301 /nfs/dbraw/zinc/06/83/01/393068301.db2.gz CTDICJICIBLLGG-UHFFFAOYSA-N 2 1 295.814 3.303 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000414976536 393074488 /nfs/dbraw/zinc/07/44/88/393074488.db2.gz ICXGKHUEKKSGSD-MRXNPFEDSA-N 2 1 284.403 3.189 20 0 CGADMP [NH3+]CCC[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000415044220 393110587 /nfs/dbraw/zinc/11/05/87/393110587.db2.gz AQXRTJIWHHFPKH-GFCCVEGCSA-N 2 1 295.839 3.366 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052295 393114700 /nfs/dbraw/zinc/11/47/00/393114700.db2.gz NCSSDVKRKNKJAY-SJLPKXTDSA-N 2 1 272.436 3.267 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000415057209 393119175 /nfs/dbraw/zinc/11/91/75/393119175.db2.gz RKNJGJFZMPHPCA-GFCCVEGCSA-N 2 1 274.330 3.168 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415060838 393121557 /nfs/dbraw/zinc/12/15/57/393121557.db2.gz ZAFPUIVQCNBOLP-RHSMWYFYSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252765343 393126837 /nfs/dbraw/zinc/12/68/37/393126837.db2.gz IKAULIFSHFTQON-DMDPSCGWSA-N 2 1 286.341 3.436 20 0 CGADMP C[C@@]1(C[NH2+]Cc2ccccc2OC2CCCC2)CC[NH2+]C1 ZINC000415086630 393138965 /nfs/dbraw/zinc/13/89/65/393138965.db2.gz JVELWZGYIVFCJL-GOSISDBHSA-N 2 1 288.435 3.097 20 0 CGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261701336 393141093 /nfs/dbraw/zinc/14/10/93/393141093.db2.gz ILJVQUFFWGASCU-QGTPRVQTSA-N 2 1 272.436 3.412 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@@H]1C[NH3+] ZINC000415120569 393150754 /nfs/dbraw/zinc/15/07/54/393150754.db2.gz GLPLOFUSQQQCKB-BEFAXECRSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468555684 393152866 /nfs/dbraw/zinc/15/28/66/393152866.db2.gz SPDCOXDLAIHHMP-IIAWOOMASA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468555684 393152875 /nfs/dbraw/zinc/15/28/75/393152875.db2.gz SPDCOXDLAIHHMP-IIAWOOMASA-N 2 1 278.415 3.219 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC000415127743 393154105 /nfs/dbraw/zinc/15/41/05/393154105.db2.gz RCCJDCZHHXZHCP-UHFFFAOYSA-N 2 1 274.330 3.055 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC000415127743 393154111 /nfs/dbraw/zinc/15/41/11/393154111.db2.gz RCCJDCZHHXZHCP-UHFFFAOYSA-N 2 1 274.330 3.055 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CC23CCC3)cc1 ZINC000415131815 393155706 /nfs/dbraw/zinc/15/57/06/393155706.db2.gz ZRDAXBDJYHAOLC-SFHVURJKSA-N 2 1 284.447 3.256 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000469849810 393221333 /nfs/dbraw/zinc/22/13/33/393221333.db2.gz CCROANZPMBDGOP-GOEBONIOSA-N 2 1 288.435 3.177 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000469330110 393185966 /nfs/dbraw/zinc/18/59/66/393185966.db2.gz OVPHNQMRMPBMCZ-YTQUADARSA-N 2 1 288.479 3.431 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(CC)c2)C1 ZINC000469720849 393207836 /nfs/dbraw/zinc/20/78/36/393207836.db2.gz PTDKCBMVUIMAIS-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(CC)c2)C1 ZINC000469720849 393207844 /nfs/dbraw/zinc/20/78/44/393207844.db2.gz PTDKCBMVUIMAIS-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(CC)c2)C1 ZINC000469720849 393207851 /nfs/dbraw/zinc/20/78/51/393207851.db2.gz PTDKCBMVUIMAIS-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCC[C@H](C)O)CC1)CC(C)C ZINC000355271311 393285460 /nfs/dbraw/zinc/28/54/60/393285460.db2.gz GBMZWVWHXWNVSG-KRWDZBQOSA-N 2 1 298.515 3.227 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000276347638 393297683 /nfs/dbraw/zinc/29/76/83/393297683.db2.gz KQJLWEMTTDKAGC-SECBINFHSA-N 2 1 269.801 3.257 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000279032197 393331255 /nfs/dbraw/zinc/33/12/55/393331255.db2.gz WHFZUCQNEISAMH-QZTJIDSGSA-N 2 1 297.446 3.302 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCCC1 ZINC000474722707 393344063 /nfs/dbraw/zinc/34/40/63/393344063.db2.gz LYHRWNSRETWSGP-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000474822641 393351549 /nfs/dbraw/zinc/35/15/49/393351549.db2.gz PTBZCDRRFGWAHF-GJZGRUSLSA-N 2 1 278.415 3.351 20 0 CGADMP c1ccc2oc([C@H]3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411583 393415895 /nfs/dbraw/zinc/41/58/95/393415895.db2.gz IVVHZELUJOABBZ-GJZGRUSLSA-N 2 1 299.418 3.007 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000356417129 393438999 /nfs/dbraw/zinc/43/89/99/393438999.db2.gz AIKVLMZGWNDRTC-UHFFFAOYSA-N 2 1 292.471 3.052 20 0 CGADMP CC(C)(C)C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420293834 393451386 /nfs/dbraw/zinc/45/13/86/393451386.db2.gz ANSWOLPTQNPDCE-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2ccccc2)cc1 ZINC000420299588 393454957 /nfs/dbraw/zinc/45/49/57/393454957.db2.gz GWIONOPKWUCBEL-QAPCUYQASA-N 2 1 298.430 3.431 20 0 CGADMP C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000420393555 393482696 /nfs/dbraw/zinc/48/26/96/393482696.db2.gz JXDGIOGPQNOIBJ-ROUUACIJSA-N 2 1 294.483 3.047 20 0 CGADMP c1csc([C@@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420310816 393459449 /nfs/dbraw/zinc/45/94/49/393459449.db2.gz GGIYZPORHYTZBW-KBPBESRZSA-N 2 1 279.453 3.060 20 0 CGADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1c(Cl)cccc1Cl ZINC000420318282 393463111 /nfs/dbraw/zinc/46/31/11/393463111.db2.gz OHUCOQSXGMGKLR-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1c(Cl)cccc1Cl ZINC000420318282 393463118 /nfs/dbraw/zinc/46/31/18/393463118.db2.gz OHUCOQSXGMGKLR-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420317622 393463238 /nfs/dbraw/zinc/46/32/38/393463238.db2.gz NNHPXDWYKALGGF-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000420318780 393463907 /nfs/dbraw/zinc/46/39/07/393463907.db2.gz OWVIPSQJCDGVEI-OAHLLOKOSA-N 2 1 278.415 3.426 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000420317066 393463942 /nfs/dbraw/zinc/46/39/42/393463942.db2.gz MXNLIRXWOYYLMG-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP C[NH2+]CCC[N@@H+](C)CCCOc1cccc2ccccc21 ZINC000420393650 393483224 /nfs/dbraw/zinc/48/32/24/393483224.db2.gz YJCZARWGAJKYIA-UHFFFAOYSA-N 2 1 286.419 3.150 20 0 CGADMP C[C@H]1CC(CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)C1 ZINC000429023849 393465893 /nfs/dbraw/zinc/46/58/93/393465893.db2.gz WFSWUDXUOQLXDU-NUJGCVRESA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H]1CC(CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H](C)C1 ZINC000429023849 393465899 /nfs/dbraw/zinc/46/58/99/393465899.db2.gz WFSWUDXUOQLXDU-NUJGCVRESA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H]1CC(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H](C)C1 ZINC000429023849 393465906 /nfs/dbraw/zinc/46/59/06/393465906.db2.gz WFSWUDXUOQLXDU-NUJGCVRESA-N 2 1 278.484 3.476 20 0 CGADMP Fc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420328490 393467289 /nfs/dbraw/zinc/46/72/89/393467289.db2.gz ZOMUUIKRQQUQSZ-PBHICJAKSA-N 2 1 276.399 3.352 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420336001 393470406 /nfs/dbraw/zinc/47/04/06/393470406.db2.gz VHZVZXBUMQFGKW-JQHSSLGASA-N 2 1 272.436 3.378 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCOc1cccc(Cl)c1)C1CCCCC1 ZINC000420353220 393472279 /nfs/dbraw/zinc/47/22/79/393472279.db2.gz BKHQIEGTPGWUJB-MRXNPFEDSA-N 2 1 296.842 3.216 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420359808 393475215 /nfs/dbraw/zinc/47/52/15/393475215.db2.gz KVRNGFQTQBDRLN-FUHWJXTLSA-N 2 1 272.436 3.440 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488443382 393515609 /nfs/dbraw/zinc/51/56/09/393515609.db2.gz GTGZEOULUYUYGJ-BPLDGKMQSA-N 2 1 295.496 3.337 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488443383 393515931 /nfs/dbraw/zinc/51/59/31/393515931.db2.gz GTGZEOULUYUYGJ-SNPRPXQTSA-N 2 1 295.496 3.337 20 0 CGADMP Cc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc[nH+]1 ZINC000358151498 393520053 /nfs/dbraw/zinc/52/00/53/393520053.db2.gz ODEIZRULTWTZQU-UXLLHSPISA-N 2 1 273.424 3.232 20 0 CGADMP CC1=C[C@H](C)C[NH+](C/C=C\C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263370 393553203 /nfs/dbraw/zinc/55/32/03/393553203.db2.gz NSTQAQQZOLJZJF-RDTQODSXSA-N 2 1 274.452 3.339 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCOc1cccc(Cl)c1 ZINC000430587320 393578019 /nfs/dbraw/zinc/57/80/19/393578019.db2.gz ZBGPMMNONCLQEK-HNNXBMFYSA-N 2 1 284.831 3.072 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770234 542814774 /nfs/dbraw/zinc/81/47/74/542814774.db2.gz QATODQCIURTTJP-DZGCQCFKSA-N 2 1 278.465 3.071 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770337 542815014 /nfs/dbraw/zinc/81/50/14/542815014.db2.gz VKSJRYJTYMYLCQ-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC000666801092 542816740 /nfs/dbraw/zinc/81/67/40/542816740.db2.gz OVZOBCPKUUZFLX-WBVHZDCISA-N 2 1 288.435 3.050 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[NH2+]1 ZINC000666873217 542823208 /nfs/dbraw/zinc/82/32/08/542823208.db2.gz HRFREWWNUVYRMV-AAEUAGOBSA-N 2 1 289.810 3.118 20 0 CGADMP CCCC[C@H](CC)CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422562939 393640884 /nfs/dbraw/zinc/64/08/84/393640884.db2.gz RCNRNSWOAGNJNS-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1COc2ccccc21 ZINC000423003984 393647653 /nfs/dbraw/zinc/64/76/53/393647653.db2.gz NXNWQDHVSSZEJL-DUOKCRBOSA-N 2 1 294.398 3.286 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000490769900 393655218 /nfs/dbraw/zinc/65/52/18/393655218.db2.gz MQPAFTGBPOETAH-QGZVFWFLSA-N 2 1 286.463 3.387 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423271831 393657229 /nfs/dbraw/zinc/65/72/29/393657229.db2.gz JLEAXNXGZZZLRT-GJZGRUSLSA-N 2 1 266.816 3.290 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423269013 393657324 /nfs/dbraw/zinc/65/73/24/393657324.db2.gz GTTOQXZMFKRPHB-UONOGXRCSA-N 2 1 297.240 3.009 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000435374249 393714827 /nfs/dbraw/zinc/71/48/27/393714827.db2.gz PNGWEGKCASRUJE-RHSMWYFYSA-N 2 1 260.425 3.022 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000502013939 393866457 /nfs/dbraw/zinc/86/64/57/393866457.db2.gz BAHLLOWEICTCGW-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC(F)(F)CC1 ZINC000449560671 393903663 /nfs/dbraw/zinc/90/36/63/393903663.db2.gz OFMFVHARFYGRTL-PRTUASRFSA-N 2 1 286.410 3.415 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCC[C@H]1C ZINC000449560708 393904004 /nfs/dbraw/zinc/90/40/04/393904004.db2.gz OSJGQHLZQNMQCZ-FAHTYWLASA-N 2 1 264.457 3.416 20 0 CGADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCC1 ZINC000449668617 393937433 /nfs/dbraw/zinc/93/74/33/393937433.db2.gz LFGXTQSGAZITRQ-AWEZNQCLSA-N 2 1 281.469 3.263 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCCC2(F)F)CC[N@@H+]1C ZINC000450470033 393998152 /nfs/dbraw/zinc/99/81/52/393998152.db2.gz SLFWBGYGZSYTDW-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCCC2(F)F)CC[N@H+]1C ZINC000450470033 393998161 /nfs/dbraw/zinc/99/81/61/393998161.db2.gz SLFWBGYGZSYTDW-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCCC2(F)F)CC[NH+]1C ZINC000450470033 393998165 /nfs/dbraw/zinc/99/81/65/393998165.db2.gz SLFWBGYGZSYTDW-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCCC2(F)F)CC[NH+]1C ZINC000450470033 393998169 /nfs/dbraw/zinc/99/81/69/393998169.db2.gz SLFWBGYGZSYTDW-MGPQQGTHSA-N 2 1 274.399 3.226 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453131848 394182717 /nfs/dbraw/zinc/18/27/17/394182717.db2.gz UEUNQIPVZXDELM-MRXNPFEDSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@@H]1CC([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H](C)C1 ZINC000453396380 394231942 /nfs/dbraw/zinc/23/19/42/394231942.db2.gz IMVCOKJENKZZEC-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccnc1 ZINC000453420806 394242091 /nfs/dbraw/zinc/24/20/91/394242091.db2.gz ZTYBDHPSFXZFLL-QGZVFWFLSA-N 2 1 275.440 3.387 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000453427374 394243833 /nfs/dbraw/zinc/24/38/33/394243833.db2.gz ZMGDRCYSXCDYBA-YXMSTPNBSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000453427374 394243836 /nfs/dbraw/zinc/24/38/36/394243836.db2.gz ZMGDRCYSXCDYBA-YXMSTPNBSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C3CCC3)CCC2)s1 ZINC000453591246 394252237 /nfs/dbraw/zinc/25/22/37/394252237.db2.gz ZOFRDNCZGKZKAY-UHFFFAOYSA-N 2 1 293.480 3.265 20 0 CGADMP C[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000453590762 394252424 /nfs/dbraw/zinc/25/24/24/394252424.db2.gz BFSMJRURMLAZCK-AWEZNQCLSA-N 2 1 278.415 3.393 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000453597101 394253272 /nfs/dbraw/zinc/25/32/72/394253272.db2.gz MZVHOSKFMFPDGR-SNAWJCMRSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453597333 394253560 /nfs/dbraw/zinc/25/35/60/394253560.db2.gz NETXAEDPEIYQHR-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(COC)cs2)C[C@@H]1C ZINC000667664563 542911072 /nfs/dbraw/zinc/91/10/72/542911072.db2.gz NVSXLDYPMPWNGH-ZFWWWQNUSA-N 2 1 296.480 3.199 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(COC)cs2)C[C@@H]1C ZINC000667664563 542911074 /nfs/dbraw/zinc/91/10/74/542911074.db2.gz NVSXLDYPMPWNGH-ZFWWWQNUSA-N 2 1 296.480 3.199 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(COC)cs2)C[C@@H]1C ZINC000667664563 542911078 /nfs/dbraw/zinc/91/10/78/542911078.db2.gz NVSXLDYPMPWNGH-ZFWWWQNUSA-N 2 1 296.480 3.199 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(COC)cs2)C[C@@H]1C ZINC000667664563 542911083 /nfs/dbraw/zinc/91/10/83/542911083.db2.gz NVSXLDYPMPWNGH-ZFWWWQNUSA-N 2 1 296.480 3.199 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(COC)cs2)C1 ZINC000667677248 542914992 /nfs/dbraw/zinc/91/49/92/542914992.db2.gz MWAMRTCQPLEIHB-AWEZNQCLSA-N 2 1 296.480 3.058 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(COC)cs2)C1 ZINC000667677248 542914993 /nfs/dbraw/zinc/91/49/93/542914993.db2.gz MWAMRTCQPLEIHB-AWEZNQCLSA-N 2 1 296.480 3.058 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(COC)cs2)C1 ZINC000667677248 542914996 /nfs/dbraw/zinc/91/49/96/542914996.db2.gz MWAMRTCQPLEIHB-AWEZNQCLSA-N 2 1 296.480 3.058 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(COC)cs2)C1 ZINC000667677248 542914999 /nfs/dbraw/zinc/91/49/99/542914999.db2.gz MWAMRTCQPLEIHB-AWEZNQCLSA-N 2 1 296.480 3.058 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548885391 289028089 /nfs/dbraw/zinc/02/80/89/289028089.db2.gz VLCAPEQMTSEVEZ-NXOAAHMSSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@H]3C)[nH]c2c1 ZINC000668172262 542980229 /nfs/dbraw/zinc/98/02/29/542980229.db2.gz ITPDTVYHQVQAGR-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@H]3C)[nH]c2c1 ZINC000668172262 542980231 /nfs/dbraw/zinc/98/02/31/542980231.db2.gz ITPDTVYHQVQAGR-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)[nH]c2c1 ZINC000668172262 542980234 /nfs/dbraw/zinc/98/02/34/542980234.db2.gz ITPDTVYHQVQAGR-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)[nH]c2c1 ZINC000668172262 542980236 /nfs/dbraw/zinc/98/02/36/542980236.db2.gz ITPDTVYHQVQAGR-KDOFPFPSSA-N 2 1 285.435 3.248 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccncc2s1 ZINC000668172421 542980857 /nfs/dbraw/zinc/98/08/57/542980857.db2.gz NGGBKFIHKWWPJW-WFASDCNBSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccncc2s1 ZINC000668172421 542980859 /nfs/dbraw/zinc/98/08/59/542980859.db2.gz NGGBKFIHKWWPJW-WFASDCNBSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2ccncc2s1 ZINC000668172421 542980861 /nfs/dbraw/zinc/98/08/61/542980861.db2.gz NGGBKFIHKWWPJW-WFASDCNBSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2ccncc2s1 ZINC000668172421 542980863 /nfs/dbraw/zinc/98/08/63/542980863.db2.gz NGGBKFIHKWWPJW-WFASDCNBSA-N 2 1 289.448 3.068 20 0 CGADMP Cc1ncc(C[N@@H+](C)[C@H]2CCC[C@H]2c2ccccc2)n1C ZINC000668235541 542995542 /nfs/dbraw/zinc/99/55/42/542995542.db2.gz NKPUIIGNTPVJIY-ROUUACIJSA-N 2 1 283.419 3.497 20 0 CGADMP CC1(C)C[N@@H+](Cc2cnc3n2CCC3)CCc2ccccc21 ZINC000668476306 543018336 /nfs/dbraw/zinc/01/83/36/543018336.db2.gz CEBHEINLZHMFDS-UHFFFAOYSA-N 2 1 295.430 3.165 20 0 CGADMP Cc1ccccc1C(C)(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000549868359 289057568 /nfs/dbraw/zinc/05/75/68/289057568.db2.gz UXCWWAJWZCDRCT-HNNXBMFYSA-N 2 1 260.425 3.304 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000670262003 543146149 /nfs/dbraw/zinc/14/61/49/543146149.db2.gz BFJQKIVPYAWCAA-CQSZACIVSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265108 543148430 /nfs/dbraw/zinc/14/84/30/543148430.db2.gz NRVKUJONNHKTMM-JKSUJKDBSA-N 2 1 284.488 3.101 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)[C@@H]1CC[NH3+] ZINC000650711415 397898732 /nfs/dbraw/zinc/89/87/32/397898732.db2.gz SYZMGEZVLMPKMS-RHSMWYFYSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)[C@@H]1CC[NH3+] ZINC000650711415 397898735 /nfs/dbraw/zinc/89/87/35/397898735.db2.gz SYZMGEZVLMPKMS-RHSMWYFYSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)[C@@H]1CC[NH3+] ZINC000650711415 397898736 /nfs/dbraw/zinc/89/87/36/397898736.db2.gz SYZMGEZVLMPKMS-RHSMWYFYSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)[C@@H]1CC[NH3+] ZINC000650711415 397898738 /nfs/dbraw/zinc/89/87/38/397898738.db2.gz SYZMGEZVLMPKMS-RHSMWYFYSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(F)ccc1F ZINC000650752009 397908480 /nfs/dbraw/zinc/90/84/80/397908480.db2.gz HFECANSOSNRCJA-SNVBAGLBSA-N 2 1 294.320 3.413 20 0 CGADMP c1cc(C2CCCCC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000675491522 543344206 /nfs/dbraw/zinc/34/42/06/543344206.db2.gz RBAAHFLFSVWUJS-KDURUIRLSA-N 2 1 284.447 3.386 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2ccccc2[nH]1 ZINC000675500431 543345103 /nfs/dbraw/zinc/34/51/03/543345103.db2.gz TYAZDMSTMPMVOL-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2ccccc2[nH]1 ZINC000675500431 543345106 /nfs/dbraw/zinc/34/51/06/543345106.db2.gz TYAZDMSTMPMVOL-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2ccccc2[nH]1 ZINC000675500431 543345108 /nfs/dbraw/zinc/34/51/08/543345108.db2.gz TYAZDMSTMPMVOL-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2ccccc2[nH]1 ZINC000675500431 543345110 /nfs/dbraw/zinc/34/51/10/543345110.db2.gz TYAZDMSTMPMVOL-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675788365 543364870 /nfs/dbraw/zinc/36/48/70/543364870.db2.gz RVBPYLXHFWMYTP-CABCVRRESA-N 2 1 290.451 3.045 20 0 CGADMP COC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000130030878 292159672 /nfs/dbraw/zinc/15/96/72/292159672.db2.gz OFUMKIZELQKQRE-OTBWCIGPSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@@H]1C ZINC000677153799 543437453 /nfs/dbraw/zinc/43/74/53/543437453.db2.gz VWEBSZYKZKTDHH-ZDUSSCGKSA-N 2 1 287.382 3.213 20 0 CGADMP Cc1ccc(CN(CC[C@@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC000678073531 543480876 /nfs/dbraw/zinc/48/08/76/543480876.db2.gz XKBWANYSRWFHJX-AWEZNQCLSA-N 2 1 262.397 3.037 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](C1CC1)C1CCCCC1 ZINC000678073546 543480975 /nfs/dbraw/zinc/48/09/75/543480975.db2.gz YFDWDQNOAXNTAM-CQSZACIVSA-N 2 1 250.430 3.268 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](C1CC1)C1CCCCC1 ZINC000678073546 543480977 /nfs/dbraw/zinc/48/09/77/543480977.db2.gz YFDWDQNOAXNTAM-CQSZACIVSA-N 2 1 250.430 3.268 20 0 CGADMP CC[N@@H+](CCc1ccccn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000678212072 543494031 /nfs/dbraw/zinc/49/40/31/543494031.db2.gz RBFWCHVMKBVEAL-UHFFFAOYSA-N 2 1 297.446 3.208 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000678774685 543556675 /nfs/dbraw/zinc/55/66/75/543556675.db2.gz BXLOPERDOBPGOC-QWFCFKBJSA-N 2 1 298.474 3.497 20 0 CGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[N@H+]3CCCC[C@H]3C)C[C@H]2C1 ZINC000424267750 286113165 /nfs/dbraw/zinc/11/31/65/286113165.db2.gz YNIYYPUMYRJPGV-SFFUCWETSA-N 2 1 294.483 3.044 20 0 CGADMP Fc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000679013668 543581945 /nfs/dbraw/zinc/58/19/45/543581945.db2.gz MAUYZTGNIPUHMX-DLBZAZTESA-N 2 1 288.410 3.421 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000554742042 289307474 /nfs/dbraw/zinc/30/74/74/289307474.db2.gz SSBGIYDXKMMJTO-NUEKZKHPSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000554742042 289307475 /nfs/dbraw/zinc/30/74/75/289307475.db2.gz SSBGIYDXKMMJTO-NUEKZKHPSA-N 2 1 252.446 3.275 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+](CC)CC)C12CCCC2 ZINC000249988861 286291594 /nfs/dbraw/zinc/29/15/94/286291594.db2.gz TVAFQQNDDFLPKD-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423501720 286371205 /nfs/dbraw/zinc/37/12/05/286371205.db2.gz LNDQQMMUBNTWPP-HBUWYVDXSA-N 2 1 290.451 3.294 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH+](CC)CC)C12CCCC2 ZINC000359022368 286389933 /nfs/dbraw/zinc/38/99/33/286389933.db2.gz XJCPVUGTFLRTMO-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000423482311 286864198 /nfs/dbraw/zinc/86/41/98/286864198.db2.gz XIWRGBVVCYZUPW-CZUORRHYSA-N 2 1 264.388 3.384 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000075835725 287029008 /nfs/dbraw/zinc/02/90/08/287029008.db2.gz GOVZPSJCHHJNTE-HNNXBMFYSA-N 2 1 293.480 3.068 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000075835725 287029010 /nfs/dbraw/zinc/02/90/10/287029010.db2.gz GOVZPSJCHHJNTE-HNNXBMFYSA-N 2 1 293.480 3.068 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000076000911 287030841 /nfs/dbraw/zinc/03/08/41/287030841.db2.gz CCMTVMRRNHDRIY-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423192623 287058220 /nfs/dbraw/zinc/05/82/20/287058220.db2.gz PVXSONWMXHHZRI-IKWCTNDRSA-N 2 1 278.362 3.085 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)C)C1 ZINC000090585610 287102440 /nfs/dbraw/zinc/10/24/40/287102440.db2.gz GZDSAYQCSZIGGG-GJZGRUSLSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000090586677 287103087 /nfs/dbraw/zinc/10/30/87/287103087.db2.gz KLRXKSMQJVNCJN-AWEZNQCLSA-N 2 1 264.457 3.133 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426268 165205012 /nfs/dbraw/zinc/20/50/12/165205012.db2.gz MIUAUZHKHOYABL-QZTJIDSGSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426268 165205014 /nfs/dbraw/zinc/20/50/14/165205014.db2.gz MIUAUZHKHOYABL-QZTJIDSGSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426268 165205018 /nfs/dbraw/zinc/20/50/18/165205018.db2.gz MIUAUZHKHOYABL-QZTJIDSGSA-N 2 1 290.426 3.317 20 0 CGADMP CC(C)CSCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090882018 165246184 /nfs/dbraw/zinc/24/61/84/165246184.db2.gz SJDHJVRMWOWRFK-RBSFLKMASA-N 2 1 272.502 3.084 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CCC1 ZINC000090399553 287100621 /nfs/dbraw/zinc/10/06/21/287100621.db2.gz YSGURRNBFJPPQP-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000092566409 165303064 /nfs/dbraw/zinc/30/30/64/165303064.db2.gz NYAFLZKXRFBMIK-GDBMZVCRSA-N 2 1 263.429 3.388 20 0 CGADMP COCc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000093660001 287118048 /nfs/dbraw/zinc/11/80/48/287118048.db2.gz WPUALBMSRAMQRM-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000093660001 287118049 /nfs/dbraw/zinc/11/80/49/287118049.db2.gz WPUALBMSRAMQRM-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000093660001 287118050 /nfs/dbraw/zinc/11/80/50/287118050.db2.gz WPUALBMSRAMQRM-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000093660001 287118052 /nfs/dbraw/zinc/11/80/52/287118052.db2.gz WPUALBMSRAMQRM-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCCc2ccccc2)CC1 ZINC000109788412 287129654 /nfs/dbraw/zinc/12/96/54/287129654.db2.gz QAIMFWNSUHTWQM-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261984154 165847834 /nfs/dbraw/zinc/84/78/34/165847834.db2.gz JNBNCGHVEPOHPX-UHFFFAOYSA-N 2 1 288.435 3.049 20 0 CGADMP CC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119583970 287171288 /nfs/dbraw/zinc/17/12/88/287171288.db2.gz PRKGSEUSSDITCS-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119675529 287172412 /nfs/dbraw/zinc/17/24/12/287172412.db2.gz KSTCECBSXDKHBC-IAGOWNOFSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000124215224 287230627 /nfs/dbraw/zinc/23/06/27/287230627.db2.gz CSDKREKHMHOGCP-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000124215224 287230629 /nfs/dbraw/zinc/23/06/29/287230629.db2.gz CSDKREKHMHOGCP-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000124215224 287230631 /nfs/dbraw/zinc/23/06/31/287230631.db2.gz CSDKREKHMHOGCP-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000124706161 287236315 /nfs/dbraw/zinc/23/63/15/287236315.db2.gz CZLLVTAVOHZUFD-DOTOQJQBSA-N 2 1 290.451 3.089 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125817048 287251304 /nfs/dbraw/zinc/25/13/04/287251304.db2.gz XHYCSGZCXJHHLN-JKSUJKDBSA-N 2 1 290.451 3.466 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125817048 287251306 /nfs/dbraw/zinc/25/13/06/287251306.db2.gz XHYCSGZCXJHHLN-JKSUJKDBSA-N 2 1 290.451 3.466 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCC2)[C@H](C)C1 ZINC000126315788 287261497 /nfs/dbraw/zinc/26/14/97/287261497.db2.gz FKHXCKFUQXLWTR-SJLPKXTDSA-N 2 1 286.463 3.428 20 0 CGADMP C[N@H+](Cc1cc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285447774 196287132 /nfs/dbraw/zinc/28/71/32/196287132.db2.gz IVDOVIRKWYFXLQ-XYPWUTKMSA-N 2 1 284.403 3.490 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285447774 196287134 /nfs/dbraw/zinc/28/71/34/196287134.db2.gz IVDOVIRKWYFXLQ-XYPWUTKMSA-N 2 1 284.403 3.490 20 0 CGADMP C[NH+](Cc1cc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285447774 196287136 /nfs/dbraw/zinc/28/71/36/196287136.db2.gz IVDOVIRKWYFXLQ-XYPWUTKMSA-N 2 1 284.403 3.490 20 0 CGADMP C[NH+](Cc1cc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285447774 196287137 /nfs/dbraw/zinc/28/71/37/196287137.db2.gz IVDOVIRKWYFXLQ-XYPWUTKMSA-N 2 1 284.403 3.490 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285469927 196294650 /nfs/dbraw/zinc/29/46/50/196294650.db2.gz KIORWYOBTUUJBV-SJPCQFCGSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285469927 196294651 /nfs/dbraw/zinc/29/46/51/196294651.db2.gz KIORWYOBTUUJBV-SJPCQFCGSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1ccc(F)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285469927 196294653 /nfs/dbraw/zinc/29/46/53/196294653.db2.gz KIORWYOBTUUJBV-SJPCQFCGSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1ccc(F)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285469927 196294654 /nfs/dbraw/zinc/29/46/54/196294654.db2.gz KIORWYOBTUUJBV-SJPCQFCGSA-N 2 1 276.399 3.191 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000037248682 173061256 /nfs/dbraw/zinc/06/12/56/173061256.db2.gz HMOQACKBQWNLAY-UHFFFAOYSA-N 2 1 260.425 3.168 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CSC)cc2)[C@H](C)C1 ZINC000285714283 196375407 /nfs/dbraw/zinc/37/54/07/196375407.db2.gz PTKLPTBSWOFVQI-PBHICJAKSA-N 2 1 292.492 3.370 20 0 CGADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCn1ccnc1C ZINC000127412982 287287602 /nfs/dbraw/zinc/28/76/02/287287602.db2.gz CXIHNNVMINQMKW-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127412982 287287603 /nfs/dbraw/zinc/28/76/03/287287603.db2.gz CXIHNNVMINQMKW-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000127412982 287287604 /nfs/dbraw/zinc/28/76/04/287287604.db2.gz CXIHNNVMINQMKW-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000040592054 174347675 /nfs/dbraw/zinc/34/76/75/174347675.db2.gz VKPGXLJMUIUMRK-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@H](C[NH3+])C3)ccc2c1 ZINC000044527748 175192946 /nfs/dbraw/zinc/19/29/46/175192946.db2.gz RUZJWQVPKPSKFF-OAHLLOKOSA-N 2 1 284.403 3.019 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccccn2)CC1 ZINC000077482450 177273582 /nfs/dbraw/zinc/27/35/82/177273582.db2.gz YHRKVXDAOURWBY-UHFFFAOYSA-N 2 1 289.467 3.068 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1CCC2 ZINC000070499596 416491271 /nfs/dbraw/zinc/49/12/71/416491271.db2.gz YIGPJBOHRKHRFR-MOPGFXCFSA-N 2 1 284.447 3.139 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404900721 416558239 /nfs/dbraw/zinc/55/82/39/416558239.db2.gz PYDIDXLZWUQYPP-JKSUJKDBSA-N 2 1 272.436 3.038 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122274096 416504820 /nfs/dbraw/zinc/50/48/20/416504820.db2.gz HUDASKQCYAZXIL-ZOWXZIJZSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122274096 416504824 /nfs/dbraw/zinc/50/48/24/416504824.db2.gz HUDASKQCYAZXIL-ZOWXZIJZSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000122254426 416504843 /nfs/dbraw/zinc/50/48/43/416504843.db2.gz MMCJBOFTLCFYRN-YJBOKZPZSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCc3ccccc32)CC[N@@H+]1C ZINC000679043778 543586079 /nfs/dbraw/zinc/58/60/79/543586079.db2.gz KHSUCFPKCLVLOM-QGPMSJSTSA-N 2 1 272.436 3.310 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCc3ccccc32)CC[N@H+]1C ZINC000679043778 543586082 /nfs/dbraw/zinc/58/60/82/543586082.db2.gz KHSUCFPKCLVLOM-QGPMSJSTSA-N 2 1 272.436 3.310 20 0 CGADMP C[C@]1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000679043456 543586289 /nfs/dbraw/zinc/58/62/89/543586289.db2.gz IJOZBKJDTXZRNZ-SCTDSRPQSA-N 2 1 284.447 3.455 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc2cccnc12 ZINC000680117934 543686314 /nfs/dbraw/zinc/68/63/14/543686314.db2.gz XMBCITAPVMGJSJ-INIZCTEOSA-N 2 1 297.446 3.363 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000680340945 543700355 /nfs/dbraw/zinc/70/03/55/543700355.db2.gz RVTSBQFTFVRMFP-ATLSCFEFSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000679721051 543657620 /nfs/dbraw/zinc/65/76/20/543657620.db2.gz FWEPDYXILWKYET-HOTGVXAUSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000679721051 543657621 /nfs/dbraw/zinc/65/76/21/543657621.db2.gz FWEPDYXILWKYET-HOTGVXAUSA-N 2 1 287.451 3.133 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000130628385 287360100 /nfs/dbraw/zinc/36/01/00/287360100.db2.gz BGZSUAKNFWUDKM-SPUZQDLCSA-N 2 1 272.436 3.239 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076661 543822991 /nfs/dbraw/zinc/82/29/91/543822991.db2.gz VIYZYURWHQWUIO-RHSMWYFYSA-N 2 1 285.435 3.473 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076661 543822994 /nfs/dbraw/zinc/82/29/94/543822994.db2.gz VIYZYURWHQWUIO-RHSMWYFYSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076661 543822997 /nfs/dbraw/zinc/82/29/97/543822997.db2.gz VIYZYURWHQWUIO-RHSMWYFYSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076661 543823000 /nfs/dbraw/zinc/82/30/00/543823000.db2.gz VIYZYURWHQWUIO-RHSMWYFYSA-N 2 1 285.435 3.473 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682076635 543823600 /nfs/dbraw/zinc/82/36/00/543823600.db2.gz VCGBSYDLLCUTMY-UHFFFAOYSA-N 2 1 285.435 3.473 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682076635 543823602 /nfs/dbraw/zinc/82/36/02/543823602.db2.gz VCGBSYDLLCUTMY-UHFFFAOYSA-N 2 1 285.435 3.473 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCOCc2ccccc2)CC1 ZINC000682076816 543823648 /nfs/dbraw/zinc/82/36/48/543823648.db2.gz MLTKXPMTMYXKDG-UHFFFAOYSA-N 2 1 290.451 3.008 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C/C=C\c2ccc(F)cc2)CC1 ZINC000682671463 543857924 /nfs/dbraw/zinc/85/79/24/543857924.db2.gz PEKUNECKWRAHAL-RQOWECAXSA-N 2 1 288.410 3.399 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H]2CCCC(C)(C)C2)CCCO1 ZINC000683344384 543909624 /nfs/dbraw/zinc/90/96/24/543909624.db2.gz SKSQUZIEURRRQH-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000685462824 544076200 /nfs/dbraw/zinc/07/62/00/544076200.db2.gz NWCUSFDJZZBNCH-GDBMZVCRSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000685470684 544077313 /nfs/dbraw/zinc/07/73/13/544077313.db2.gz IAGQAKJQWMLTSR-NCOADZHNSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000685470684 544077316 /nfs/dbraw/zinc/07/73/16/544077316.db2.gz IAGQAKJQWMLTSR-NCOADZHNSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470684 544077318 /nfs/dbraw/zinc/07/73/18/544077318.db2.gz IAGQAKJQWMLTSR-NCOADZHNSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3cnccc3c2)C1 ZINC000685470839 544078440 /nfs/dbraw/zinc/07/84/40/544078440.db2.gz VBDQRDPAEMSPLC-RTBURBONSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470839 544078441 /nfs/dbraw/zinc/07/84/41/544078441.db2.gz VBDQRDPAEMSPLC-RTBURBONSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470839 544078442 /nfs/dbraw/zinc/07/84/42/544078442.db2.gz VBDQRDPAEMSPLC-RTBURBONSA-N 2 1 295.430 3.151 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000685666039 544094107 /nfs/dbraw/zinc/09/41/07/544094107.db2.gz LJXLUXSQEICGCN-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000685666039 544094110 /nfs/dbraw/zinc/09/41/10/544094110.db2.gz LJXLUXSQEICGCN-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000685666143 544094244 /nfs/dbraw/zinc/09/42/44/544094244.db2.gz BQLRFTPCQCVOJI-GTPINHCMSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000685666143 544094246 /nfs/dbraw/zinc/09/42/46/544094246.db2.gz BQLRFTPCQCVOJI-GTPINHCMSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000652217903 418937527 /nfs/dbraw/zinc/93/75/27/418937527.db2.gz NSMZOJGDVSXYND-HOTGVXAUSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000652217903 418937528 /nfs/dbraw/zinc/93/75/28/418937528.db2.gz NSMZOJGDVSXYND-HOTGVXAUSA-N 2 1 272.436 3.447 20 0 CGADMP C[C@@]1(c2cccc(F)c2)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000652350075 418955906 /nfs/dbraw/zinc/95/59/06/418955906.db2.gz FBGDQHNVJZQKIH-CRAIPNDOSA-N 2 1 290.426 3.179 20 0 CGADMP Fc1ccccc1C[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000652358577 418956014 /nfs/dbraw/zinc/95/60/14/418956014.db2.gz SZJSRYYIOULESP-WBVHZDCISA-N 2 1 290.426 3.222 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362649 418958284 /nfs/dbraw/zinc/95/82/84/418958284.db2.gz MFVSXMUUWZGKDO-OAGGEKHMSA-N 2 1 282.472 3.174 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000659859659 419016703 /nfs/dbraw/zinc/01/67/03/419016703.db2.gz LTTMRMJXRCITEA-QZTJIDSGSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000659859659 419016706 /nfs/dbraw/zinc/01/67/06/419016706.db2.gz LTTMRMJXRCITEA-QZTJIDSGSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659859659 419016708 /nfs/dbraw/zinc/01/67/08/419016708.db2.gz LTTMRMJXRCITEA-QZTJIDSGSA-N 2 1 292.467 3.161 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCOc1ccccc1 ZINC000653279959 419023511 /nfs/dbraw/zinc/02/35/11/419023511.db2.gz PHMYBRPIILZKGT-CVEARBPZSA-N 2 1 276.424 3.047 20 0 CGADMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659970313 419047513 /nfs/dbraw/zinc/04/75/13/419047513.db2.gz JCNLRVBIHISBHC-HAGHYFMRSA-N 2 1 298.474 3.486 20 0 CGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659970313 419047515 /nfs/dbraw/zinc/04/75/15/419047515.db2.gz JCNLRVBIHISBHC-HAGHYFMRSA-N 2 1 298.474 3.486 20 0 CGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659970313 419047518 /nfs/dbraw/zinc/04/75/18/419047518.db2.gz JCNLRVBIHISBHC-HAGHYFMRSA-N 2 1 298.474 3.486 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000659846728 419009993 /nfs/dbraw/zinc/00/99/93/419009993.db2.gz IMBCQVYHPVHSRC-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]([NH2+]CC1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000665239395 419088064 /nfs/dbraw/zinc/08/80/64/419088064.db2.gz SNVRAULFLIKUPY-JHJVBQTASA-N 2 1 261.413 3.217 20 0 CGADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)ccc1SC ZINC000665249082 419091673 /nfs/dbraw/zinc/09/16/73/419091673.db2.gz JGFJYNCNAJNSLJ-LBPRGKRZSA-N 2 1 294.464 3.339 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CCCC1 ZINC000665249225 419093134 /nfs/dbraw/zinc/09/31/34/419093134.db2.gz LSQQURHRSGQBOP-AWEZNQCLSA-N 2 1 264.800 3.188 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1C[C@H]1C ZINC000665253012 419093952 /nfs/dbraw/zinc/09/39/52/419093952.db2.gz CYYSWAFRUPYVPG-RSUGUSAISA-N 2 1 294.389 3.044 20 0 CGADMP COCc1csc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000665263494 419095428 /nfs/dbraw/zinc/09/54/28/419095428.db2.gz NDEPFZZOCSQRLR-JKSUJKDBSA-N 2 1 288.416 3.129 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000665274465 419098622 /nfs/dbraw/zinc/09/86/22/419098622.db2.gz QNYMTEHSGQMPDE-PQEBFOHHSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000665275736 419100314 /nfs/dbraw/zinc/10/03/14/419100314.db2.gz QLQJEECRYSFOFY-ZDUSSCGKSA-N 2 1 270.367 3.194 20 0 CGADMP CCc1ccc([C@@H](CC)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665277112 419100330 /nfs/dbraw/zinc/10/03/30/419100330.db2.gz UDACHRCBINTRQK-ARWYELJZSA-N 2 1 258.409 3.042 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2sccc21 ZINC000665280341 419101831 /nfs/dbraw/zinc/10/18/31/419101831.db2.gz ZGXCIGGGAGNWQD-BCEZMXFNSA-N 2 1 262.422 3.028 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@H](CSc1ccccc1)C(C)C ZINC000665296358 419108961 /nfs/dbraw/zinc/10/89/61/419108961.db2.gz ROPPYEUFIWADFD-UKRRQHHQSA-N 2 1 266.454 3.001 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)C3CC3)CC[C@@H]21 ZINC000653570678 419051305 /nfs/dbraw/zinc/05/13/05/419051305.db2.gz ZJCSCFMQHRMXAI-ZBFHGGJFSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)CC(C)(C)C ZINC000653570008 419051386 /nfs/dbraw/zinc/05/13/86/419051386.db2.gz WYYAYXJOKAOQOV-UHFFFAOYSA-N 2 1 265.445 3.357 20 0 CGADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)CC(C)(C)C ZINC000653570008 419051391 /nfs/dbraw/zinc/05/13/91/419051391.db2.gz WYYAYXJOKAOQOV-UHFFFAOYSA-N 2 1 265.445 3.357 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C2CC2)[C@H](C)C1 ZINC000653581922 419052823 /nfs/dbraw/zinc/05/28/23/419052823.db2.gz QZOORCVELXXBNY-GDBMZVCRSA-N 2 1 266.473 3.475 20 0 CGADMP CSc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659983756 419054699 /nfs/dbraw/zinc/05/46/99/419054699.db2.gz UVJCXLYRKPZLHO-ZFWWWQNUSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659983756 419054702 /nfs/dbraw/zinc/05/47/02/419054702.db2.gz UVJCXLYRKPZLHO-ZFWWWQNUSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000659983756 419054705 /nfs/dbraw/zinc/05/47/05/419054705.db2.gz UVJCXLYRKPZLHO-ZFWWWQNUSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000659983756 419054708 /nfs/dbraw/zinc/05/47/08/419054708.db2.gz UVJCXLYRKPZLHO-ZFWWWQNUSA-N 2 1 278.465 3.323 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C ZINC000659983831 419055003 /nfs/dbraw/zinc/05/50/03/419055003.db2.gz WUROTUGYTHCZPL-MTSZKFMLSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C ZINC000659983831 419055006 /nfs/dbraw/zinc/05/50/06/419055006.db2.gz WUROTUGYTHCZPL-MTSZKFMLSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C ZINC000659983831 419055009 /nfs/dbraw/zinc/05/50/09/419055009.db2.gz WUROTUGYTHCZPL-MTSZKFMLSA-N 2 1 264.457 3.227 20 0 CGADMP CCCC[C@H](CC)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655684311 419065584 /nfs/dbraw/zinc/06/55/84/419065584.db2.gz NRXQEVOBXBHFFS-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000660082971 419072678 /nfs/dbraw/zinc/07/26/78/419072678.db2.gz PLIHCTSPTIQOCF-MCIONIFRSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000660082971 419072694 /nfs/dbraw/zinc/07/26/94/419072694.db2.gz PLIHCTSPTIQOCF-MCIONIFRSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000660082971 419072699 /nfs/dbraw/zinc/07/26/99/419072699.db2.gz PLIHCTSPTIQOCF-MCIONIFRSA-N 2 1 276.415 3.330 20 0 CGADMP CC(C)CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655730159 419080616 /nfs/dbraw/zinc/08/06/16/419080616.db2.gz HFLJXLMRTYAXTF-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]1C[N@H+](Cc2cc(C(C)C)ccc2OC)CC[C@H]1[NH3+] ZINC000655938737 419130030 /nfs/dbraw/zinc/13/00/30/419130030.db2.gz DQSZKLNMSQCTGR-WMLDXEAASA-N 2 1 290.451 3.378 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(C(C)C)ccc2OC)CC[C@H]1[NH3+] ZINC000655938737 419130033 /nfs/dbraw/zinc/13/00/33/419130033.db2.gz DQSZKLNMSQCTGR-WMLDXEAASA-N 2 1 290.451 3.378 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C/C=C\c1ccccc1)C2 ZINC000660657154 419175938 /nfs/dbraw/zinc/17/59/38/419175938.db2.gz WAZJBBKFBXPPIB-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C/C=C\c1ccccc1)C2 ZINC000660657154 419175940 /nfs/dbraw/zinc/17/59/40/419175940.db2.gz WAZJBBKFBXPPIB-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C/C=C\c1ccccc1)C2 ZINC000660657154 419175942 /nfs/dbraw/zinc/17/59/42/419175942.db2.gz WAZJBBKFBXPPIB-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C/C=C\c1ccccc1)C2 ZINC000660657154 419175945 /nfs/dbraw/zinc/17/59/45/419175945.db2.gz WAZJBBKFBXPPIB-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP CC(C)n1ccnc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000657311254 419247275 /nfs/dbraw/zinc/24/72/75/419247275.db2.gz IOPHJJZRNANKRJ-INIZCTEOSA-N 2 1 292.471 3.208 20 0 CGADMP Cc1ccc2cc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)[nH]c2c1 ZINC000657335985 419253891 /nfs/dbraw/zinc/25/38/91/419253891.db2.gz VWECGIXENKFIQZ-OAHLLOKOSA-N 2 1 285.435 3.296 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc21 ZINC000657375917 419264176 /nfs/dbraw/zinc/26/41/76/419264176.db2.gz MAFNUPZAATVFBB-UONOGXRCSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc21 ZINC000657375917 419264177 /nfs/dbraw/zinc/26/41/77/419264177.db2.gz MAFNUPZAATVFBB-UONOGXRCSA-N 2 1 271.408 3.049 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCCC1 ZINC000656788364 419219009 /nfs/dbraw/zinc/21/90/09/419219009.db2.gz LJSBVOFUKNFKGV-UHFFFAOYSA-N 2 1 290.304 3.206 20 0 CGADMP Fc1ccccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785531 419219426 /nfs/dbraw/zinc/21/94/26/419219426.db2.gz LLYHYHBIAHDHDO-OAHLLOKOSA-N 2 1 276.399 3.037 20 0 CGADMP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000656788033 419219611 /nfs/dbraw/zinc/21/96/11/419219611.db2.gz KJEGHTPUIGQNGT-CGTJXYLNSA-N 2 1 288.435 3.061 20 0 CGADMP Fc1ccccc1C[N@H+](CC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000656792117 419220480 /nfs/dbraw/zinc/22/04/80/419220480.db2.gz NOHGURKLQYPEJR-HNNXBMFYSA-N 2 1 276.399 3.037 20 0 CGADMP Fc1ccccc1C[N@@H+](CC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000656792117 419220481 /nfs/dbraw/zinc/22/04/81/419220481.db2.gz NOHGURKLQYPEJR-HNNXBMFYSA-N 2 1 276.399 3.037 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3cnccc32)C1 ZINC000657182793 419229937 /nfs/dbraw/zinc/22/99/37/419229937.db2.gz UKOKNRQGBPRDFR-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000657182588 419229963 /nfs/dbraw/zinc/22/99/63/419229963.db2.gz BFSNIZKDQOYZGE-BXUZGUMPSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661578007 419274472 /nfs/dbraw/zinc/27/44/72/419274472.db2.gz HMDIMNRQEUKSPM-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661578007 419274474 /nfs/dbraw/zinc/27/44/74/419274474.db2.gz HMDIMNRQEUKSPM-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000657677466 419326397 /nfs/dbraw/zinc/32/63/97/419326397.db2.gz DIPKUAAXYMCWHS-RYRKJORJSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000657677466 419326400 /nfs/dbraw/zinc/32/64/00/419326400.db2.gz DIPKUAAXYMCWHS-RYRKJORJSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCC(F)CC1 ZINC000661999589 419322028 /nfs/dbraw/zinc/32/20/28/419322028.db2.gz HMXYDBQWVIGUEI-PRLABOORSA-N 2 1 270.436 3.367 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c1)NCC2 ZINC000336053427 228181396 /nfs/dbraw/zinc/18/13/96/228181396.db2.gz VOEPUAOMPNNKQW-GOSISDBHSA-N 2 1 299.462 3.105 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)[C@@H]1CCC[NH3+] ZINC000662315859 419389595 /nfs/dbraw/zinc/38/95/95/419389595.db2.gz ULWQRTJERYSKLA-MLGOLLRUSA-N 2 1 282.378 3.304 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCc2ccccc21 ZINC000662323847 419391972 /nfs/dbraw/zinc/39/19/72/419391972.db2.gz RXNHMXZHHFLABT-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662246180 419372493 /nfs/dbraw/zinc/37/24/93/419372493.db2.gz PGPBJCTYDSGZOI-KKUMJFAQSA-N 2 1 252.446 3.262 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCCSCC1)[NH+](C)C ZINC000657835557 419378944 /nfs/dbraw/zinc/37/89/44/419378944.db2.gz YABRARYEDZVKEO-HUUCEWRRSA-N 2 1 272.502 3.228 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCSc1ccc(F)cc1)C1CCCCC1 ZINC000662277720 419382671 /nfs/dbraw/zinc/38/26/71/419382671.db2.gz SRAVOGSPBPIPEC-MRXNPFEDSA-N 2 1 296.455 3.415 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662278051 419382853 /nfs/dbraw/zinc/38/28/53/419382853.db2.gz ZYWYGAKHOIFADV-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000658014902 419493969 /nfs/dbraw/zinc/49/39/69/419493969.db2.gz AZCRXCQUKXQQSB-QQFBHYJXSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000658014902 419493976 /nfs/dbraw/zinc/49/39/76/419493976.db2.gz AZCRXCQUKXQQSB-QQFBHYJXSA-N 2 1 270.461 3.044 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658089579 419559167 /nfs/dbraw/zinc/55/91/67/419559167.db2.gz ZVYFLEOGGFDHKQ-GRDNDAEWSA-N 2 1 278.415 3.137 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658089579 419559174 /nfs/dbraw/zinc/55/91/74/419559174.db2.gz ZVYFLEOGGFDHKQ-GRDNDAEWSA-N 2 1 278.415 3.137 20 0 CGADMP CC(C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345241 419568825 /nfs/dbraw/zinc/56/88/25/419568825.db2.gz HGNLBWZTNIOKQI-GDBMZVCRSA-N 2 1 252.446 3.133 20 0 CGADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663346496 419568919 /nfs/dbraw/zinc/56/89/19/419568919.db2.gz SBANUJLNCAHZHC-KRWDZBQOSA-N 2 1 294.483 3.047 20 0 CGADMP CCOC1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000658025714 419503417 /nfs/dbraw/zinc/50/34/17/419503417.db2.gz JZZMWAAKLQYVOV-ADKAHSJRSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000663356270 419577294 /nfs/dbraw/zinc/57/72/94/419577294.db2.gz HSLDEMONDOHYFQ-NWDGAFQWSA-N 2 1 278.362 3.181 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC000663369212 419579926 /nfs/dbraw/zinc/57/99/26/419579926.db2.gz UHBQCUBWJBWVLW-GOSISDBHSA-N 2 1 272.436 3.038 20 0 CGADMP C[N@@H+](CCNc1nccc2c(N)cccc21)C1CCCCC1 ZINC000663440669 419604870 /nfs/dbraw/zinc/60/48/70/419604870.db2.gz OTSWKKYVSYCVBK-UHFFFAOYSA-N 2 1 298.434 3.493 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccncc1 ZINC000663466133 419614497 /nfs/dbraw/zinc/61/44/97/419614497.db2.gz OMCBRCQUDHRLFB-FUHWJXTLSA-N 2 1 287.451 3.244 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467191 419621115 /nfs/dbraw/zinc/62/11/15/419621115.db2.gz DEBMYUDKHXDKOA-RDJZCZTQSA-N 2 1 287.451 3.163 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468212 419621501 /nfs/dbraw/zinc/62/15/01/419621501.db2.gz KJRCGFOUNOLVME-BBWFWOEESA-N 2 1 264.457 3.277 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC2CCC2)[C@@H](C)C1 ZINC000658220805 419679645 /nfs/dbraw/zinc/67/96/45/419679645.db2.gz IPWXWGFGEMWUHD-WMZOPIPTSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000658228183 419686656 /nfs/dbraw/zinc/68/66/56/419686656.db2.gz GYWSDTLTCDYRID-HOCLYGCPSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000658228183 419686664 /nfs/dbraw/zinc/68/66/64/419686664.db2.gz GYWSDTLTCDYRID-HOCLYGCPSA-N 2 1 250.430 3.172 20 0 CGADMP C1CC12CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230677 419689177 /nfs/dbraw/zinc/68/91/77/419689177.db2.gz QKOYIVRMBZPTBS-HOCLYGCPSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC12CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230677 419689184 /nfs/dbraw/zinc/68/91/84/419689184.db2.gz QKOYIVRMBZPTBS-HOCLYGCPSA-N 2 1 262.441 3.316 20 0 CGADMP CCCn1cc[nH+]c1CCCN(C)c1[nH+]ccc2[nH]ccc21 ZINC000663844908 419740113 /nfs/dbraw/zinc/74/01/13/419740113.db2.gz IGMZFAMSTTWYDU-UHFFFAOYSA-N 2 1 297.406 3.238 20 0 CGADMP C[C@H]1C[C@H](NCC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526039355 260002202 /nfs/dbraw/zinc/00/22/02/260002202.db2.gz HLBCQBVUHGOSEL-GOEBONIOSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000526039355 260002205 /nfs/dbraw/zinc/00/22/05/260002205.db2.gz HLBCQBVUHGOSEL-GOEBONIOSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526039355 260002207 /nfs/dbraw/zinc/00/22/07/260002207.db2.gz HLBCQBVUHGOSEL-GOEBONIOSA-N 2 1 276.399 3.131 20 0 CGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000221732581 262292900 /nfs/dbraw/zinc/29/29/00/262292900.db2.gz MIFKQFFCPYMTRJ-HRCADAONSA-N 2 1 260.425 3.437 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000230991518 287641987 /nfs/dbraw/zinc/64/19/87/287641987.db2.gz ZIONOZZTQPSHSG-ZBFHGGJFSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC2 ZINC000036996359 270028384 /nfs/dbraw/zinc/02/83/84/270028384.db2.gz OEOFXZWPOKCVHF-GDIGMMSISA-N 2 1 284.447 3.453 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC2 ZINC000036996359 270028385 /nfs/dbraw/zinc/02/83/85/270028385.db2.gz OEOFXZWPOKCVHF-GDIGMMSISA-N 2 1 284.447 3.453 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997010 270028539 /nfs/dbraw/zinc/02/85/39/270028539.db2.gz PNCSVKYGZHFYCK-WZOJCFFYSA-N 2 1 284.447 3.457 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997010 270028542 /nfs/dbraw/zinc/02/85/42/270028542.db2.gz PNCSVKYGZHFYCK-WZOJCFFYSA-N 2 1 284.447 3.457 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000043533651 270034725 /nfs/dbraw/zinc/03/47/25/270034725.db2.gz YFLYRKSWOKJQKP-BPQIPLTHSA-N 2 1 272.436 3.397 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044532538 270035942 /nfs/dbraw/zinc/03/59/42/270035942.db2.gz DWCCRTQRYIFQCY-OLZOCXBDSA-N 2 1 266.454 3.303 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044532538 270035943 /nfs/dbraw/zinc/03/59/43/270035943.db2.gz DWCCRTQRYIFQCY-OLZOCXBDSA-N 2 1 266.454 3.303 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000184281721 270058031 /nfs/dbraw/zinc/05/80/31/270058031.db2.gz DWRZDTWBDHTFHZ-BBWFWOEESA-N 2 1 289.467 3.409 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000184281721 270058032 /nfs/dbraw/zinc/05/80/32/270058032.db2.gz DWRZDTWBDHTFHZ-BBWFWOEESA-N 2 1 289.467 3.409 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000187672317 270069149 /nfs/dbraw/zinc/06/91/49/270069149.db2.gz FFSWASPANARCHG-HNNXBMFYSA-N 2 1 278.440 3.420 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000187672317 270069150 /nfs/dbraw/zinc/06/91/50/270069150.db2.gz FFSWASPANARCHG-HNNXBMFYSA-N 2 1 278.440 3.420 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000236860313 270089354 /nfs/dbraw/zinc/08/93/54/270089354.db2.gz QBOITSVMWDSDBC-QIPRVMPFSA-N 2 1 272.436 3.411 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322908321 270094229 /nfs/dbraw/zinc/09/42/29/270094229.db2.gz IVXBOYLTTPNVSG-WZYMTQMTSA-N 2 1 288.435 3.361 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322908321 270094230 /nfs/dbraw/zinc/09/42/30/270094230.db2.gz IVXBOYLTTPNVSG-WZYMTQMTSA-N 2 1 288.435 3.361 20 0 CGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(F)CC1 ZINC000525978990 270121403 /nfs/dbraw/zinc/12/14/03/270121403.db2.gz NOZARXXKKXRNEF-KRWDZBQOSA-N 2 1 290.426 3.333 20 0 CGADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(F)CC1 ZINC000525978990 270121406 /nfs/dbraw/zinc/12/14/06/270121406.db2.gz NOZARXXKKXRNEF-KRWDZBQOSA-N 2 1 290.426 3.333 20 0 CGADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(F)CC1 ZINC000525978990 270121407 /nfs/dbraw/zinc/12/14/07/270121407.db2.gz NOZARXXKKXRNEF-KRWDZBQOSA-N 2 1 290.426 3.333 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC000527099953 270125513 /nfs/dbraw/zinc/12/55/13/270125513.db2.gz VZVMRYHJQAMZAJ-WBVHZDCISA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000527524122 270128376 /nfs/dbraw/zinc/12/83/76/270128376.db2.gz NGCOWKNIKLPDMT-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000527524122 270128377 /nfs/dbraw/zinc/12/83/77/270128377.db2.gz NGCOWKNIKLPDMT-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H]1CC12CC2 ZINC000527848864 270139514 /nfs/dbraw/zinc/13/95/14/270139514.db2.gz SWVNYUAJBVGGER-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP C1=CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000527950361 270146579 /nfs/dbraw/zinc/14/65/79/270146579.db2.gz OGTKRVBMWNRLIE-VAMGGRTRSA-N 2 1 296.458 3.453 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(C)s1 ZINC000530442839 270199730 /nfs/dbraw/zinc/19/97/30/270199730.db2.gz FRASTKWGGMRVSC-UHFFFAOYSA-N 2 1 278.465 3.425 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423479447 273750541 /nfs/dbraw/zinc/75/05/41/273750541.db2.gz VGQZQESDEXBHCZ-UFBFGSQYSA-N 2 1 273.207 3.308 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265351 274138827 /nfs/dbraw/zinc/13/88/27/274138827.db2.gz QVGBPRKDBAUPPY-QZTJIDSGSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCc2cc(Br)ccc21)[C@H](C)[NH3+] ZINC000423463136 274257506 /nfs/dbraw/zinc/25/75/06/274257506.db2.gz LCWWBRMOUHBCMZ-IMSIIYSGSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@H](C[NH2+][C@H]1C[C@@H](C)Sc2sccc21)C[NH+](C)C ZINC000336787623 274492119 /nfs/dbraw/zinc/49/21/19/274492119.db2.gz FGIVAMDHSLZGTD-WZRBSPASSA-N 2 1 284.494 3.461 20 0 CGADMP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061328129 275065611 /nfs/dbraw/zinc/06/56/11/275065611.db2.gz RONVZYJODIUQJS-SWLSCSKDSA-N 2 1 276.449 3.199 20 0 CGADMP c1cc2[nH+]ccc(N3CCC([C@@H]4CCC[NH2+]4)CC3)c2s1 ZINC000420210798 275065937 /nfs/dbraw/zinc/06/59/37/275065937.db2.gz DLZFPLXFUGJZSW-ZDUSSCGKSA-N 2 1 287.432 3.265 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000251795745 287836710 /nfs/dbraw/zinc/83/67/10/287836710.db2.gz GCEFZJSLGJCHSL-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCCC1(C)C)[NH+]1CCCC1 ZINC000094303782 275670900 /nfs/dbraw/zinc/67/09/00/275670900.db2.gz PHAUVMZHRPBQFL-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000427606742 275672212 /nfs/dbraw/zinc/67/22/12/275672212.db2.gz NIQZPYJLRQNXBN-QZTJIDSGSA-N 2 1 274.452 3.184 20 0 CGADMP C1CC1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000453076563 275735950 /nfs/dbraw/zinc/73/59/50/275735950.db2.gz QRDKZZTWDLTSRW-QGZVFWFLSA-N 2 1 262.441 3.172 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316669 276073033 /nfs/dbraw/zinc/07/30/33/276073033.db2.gz RPOUDGRFPKORLR-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316669 276073034 /nfs/dbraw/zinc/07/30/34/276073034.db2.gz RPOUDGRFPKORLR-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316669 276073035 /nfs/dbraw/zinc/07/30/35/276073035.db2.gz RPOUDGRFPKORLR-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000226437099 276254911 /nfs/dbraw/zinc/25/49/11/276254911.db2.gz JLMNWUGQNMAHIO-VQIMIIECSA-N 2 1 286.463 3.256 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000247053493 276357801 /nfs/dbraw/zinc/35/78/01/276357801.db2.gz MHAMEZADVAJWRI-USXIJHARSA-N 2 1 282.472 3.044 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000247260875 276398605 /nfs/dbraw/zinc/39/86/05/276398605.db2.gz ZERAIUAXYKNGKX-BYNSBNAKSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000247260875 276398606 /nfs/dbraw/zinc/39/86/06/276398606.db2.gz ZERAIUAXYKNGKX-BYNSBNAKSA-N 2 1 270.486 3.123 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414659877 277026740 /nfs/dbraw/zinc/02/67/40/277026740.db2.gz UHXJJNDINMYIPJ-UHOSZYNNSA-N 2 1 286.463 3.428 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000124818241 277060091 /nfs/dbraw/zinc/06/00/91/277060091.db2.gz PAMYRWIMBXPROB-QZTJIDSGSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000124818241 277060093 /nfs/dbraw/zinc/06/00/93/277060093.db2.gz PAMYRWIMBXPROB-QZTJIDSGSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000124818241 277060094 /nfs/dbraw/zinc/06/00/94/277060094.db2.gz PAMYRWIMBXPROB-QZTJIDSGSA-N 2 1 272.436 3.178 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1Cc1ccccc1 ZINC000247301276 277060531 /nfs/dbraw/zinc/06/05/31/277060531.db2.gz PAMYRWIMBXPROB-MSOLQXFVSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000247301276 277060532 /nfs/dbraw/zinc/06/05/32/277060532.db2.gz PAMYRWIMBXPROB-MSOLQXFVSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000247301276 277060534 /nfs/dbraw/zinc/06/05/34/277060534.db2.gz PAMYRWIMBXPROB-MSOLQXFVSA-N 2 1 272.436 3.178 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCCC3(F)F)CC[C@@H]21 ZINC000450501720 277068789 /nfs/dbraw/zinc/06/87/89/277068789.db2.gz OIDJMQINLWBBBN-KFWWJZLASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCC3(F)F)CC[C@@H]21 ZINC000450501720 277068790 /nfs/dbraw/zinc/06/87/90/277068790.db2.gz OIDJMQINLWBBBN-KFWWJZLASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCC3(F)F)CC[C@@H]21 ZINC000450501720 277068791 /nfs/dbraw/zinc/06/87/91/277068791.db2.gz OIDJMQINLWBBBN-KFWWJZLASA-N 2 1 286.410 3.228 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000424355764 277173028 /nfs/dbraw/zinc/17/30/28/277173028.db2.gz RKASPNXAULEVNS-ADHGMGHFSA-N 2 1 276.468 3.418 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000421822956 277190886 /nfs/dbraw/zinc/19/08/86/277190886.db2.gz BTQOLDKKWZVHNQ-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1Cl ZINC000314028069 287943337 /nfs/dbraw/zinc/94/33/37/287943337.db2.gz UBBCJDBQCJEOKD-GFCCVEGCSA-N 2 1 277.799 3.357 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000435882546 277267694 /nfs/dbraw/zinc/26/76/94/277267694.db2.gz ZBQOYYJWOQDPTJ-QGZVFWFLSA-N 2 1 271.408 3.304 20 0 CGADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000435882546 277267695 /nfs/dbraw/zinc/26/76/95/277267695.db2.gz ZBQOYYJWOQDPTJ-QGZVFWFLSA-N 2 1 271.408 3.304 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190992012 277662781 /nfs/dbraw/zinc/66/27/81/277662781.db2.gz UAFIMNOUQRCBHS-KRWDZBQOSA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423374904 277883955 /nfs/dbraw/zinc/88/39/55/277883955.db2.gz UBOPLIFDIDHVEH-NORZTCDRSA-N 2 1 282.378 3.044 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+][C@H](C)C3C[NH2+]C3)c(C)c2c1 ZINC000422858172 278005440 /nfs/dbraw/zinc/00/54/40/278005440.db2.gz HXENHDDCVCAZPI-NEPJUHHUSA-N 2 1 288.391 3.008 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187054138 278190176 /nfs/dbraw/zinc/19/01/76/278190176.db2.gz IYYZTIBMMBHIAH-KFWWJZLASA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187054138 278190177 /nfs/dbraw/zinc/19/01/77/278190177.db2.gz IYYZTIBMMBHIAH-KFWWJZLASA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187054156 278191199 /nfs/dbraw/zinc/19/11/99/278191199.db2.gz IYYZTIBMMBHIAH-ZNMIVQPWSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187054156 278191200 /nfs/dbraw/zinc/19/12/00/278191200.db2.gz IYYZTIBMMBHIAH-ZNMIVQPWSA-N 2 1 284.513 3.228 20 0 CGADMP CC1(C)CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000079624431 278200960 /nfs/dbraw/zinc/20/09/60/278200960.db2.gz GVEANOWEEIIWSO-HUUCEWRRSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000079624431 278200964 /nfs/dbraw/zinc/20/09/64/278200964.db2.gz GVEANOWEEIIWSO-HUUCEWRRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000397399713 288023317 /nfs/dbraw/zinc/02/33/17/288023317.db2.gz MKSDGFKFZVHBOF-YRGRVCCFSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000397399713 288023318 /nfs/dbraw/zinc/02/33/18/288023318.db2.gz MKSDGFKFZVHBOF-YRGRVCCFSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000397441767 288023971 /nfs/dbraw/zinc/02/39/71/288023971.db2.gz IRMVPYPBUJYSAC-YCPHGPKFSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423379367 278250890 /nfs/dbraw/zinc/25/08/90/278250890.db2.gz XJZSXFUHXMERNE-GWCFXTLKSA-N 2 1 260.406 3.216 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347952073 278260045 /nfs/dbraw/zinc/26/00/45/278260045.db2.gz JUBOLRIJMVEXHA-XYJFISCASA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338689135 278274542 /nfs/dbraw/zinc/27/45/42/278274542.db2.gz RILJVDPSHXOIFG-SXXASDTRSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246442732 278310029 /nfs/dbraw/zinc/31/00/29/278310029.db2.gz WWWZFLIVPJHKEB-OLZOCXBDSA-N 2 1 266.816 3.285 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246442732 278310032 /nfs/dbraw/zinc/31/00/32/278310032.db2.gz WWWZFLIVPJHKEB-OLZOCXBDSA-N 2 1 266.816 3.285 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449081729 278332069 /nfs/dbraw/zinc/33/20/69/278332069.db2.gz HMCDQAIBGKMJTH-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(C)CC2)C1 ZINC000516700840 278333105 /nfs/dbraw/zinc/33/31/05/278333105.db2.gz CFIRECNTQYJLNP-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000516700840 278333107 /nfs/dbraw/zinc/33/31/07/278333107.db2.gz CFIRECNTQYJLNP-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000516700840 278333108 /nfs/dbraw/zinc/33/31/08/278333108.db2.gz CFIRECNTQYJLNP-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)(C)C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420293831 278334375 /nfs/dbraw/zinc/33/43/75/278334375.db2.gz ANSWOLPTQNPDCE-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000459384310 288086774 /nfs/dbraw/zinc/08/67/74/288086774.db2.gz VPSAGBLYQHMHTA-UKRRQHHQSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000459384310 288086775 /nfs/dbraw/zinc/08/67/75/288086775.db2.gz VPSAGBLYQHMHTA-UKRRQHHQSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000459384310 288086778 /nfs/dbraw/zinc/08/67/78/288086778.db2.gz VPSAGBLYQHMHTA-UKRRQHHQSA-N 2 1 288.426 3.474 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000459410973 288091053 /nfs/dbraw/zinc/09/10/53/288091053.db2.gz DKYPEVWBYJJTJT-ZDUSSCGKSA-N 2 1 276.424 3.126 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000474807251 279027089 /nfs/dbraw/zinc/02/70/89/279027089.db2.gz HSCHMVXEXLMBGV-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433134 279095684 /nfs/dbraw/zinc/09/56/84/279095684.db2.gz JUJLWKUATIUMDC-HOTGVXAUSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433134 279095685 /nfs/dbraw/zinc/09/56/85/279095685.db2.gz JUJLWKUATIUMDC-HOTGVXAUSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433134 279095686 /nfs/dbraw/zinc/09/56/86/279095686.db2.gz JUJLWKUATIUMDC-HOTGVXAUSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000163404802 279120175 /nfs/dbraw/zinc/12/01/75/279120175.db2.gz XASXLKIHGDVHNI-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP C[C@@]1(C[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)CC[NH2+]C1 ZINC000261681841 279159286 /nfs/dbraw/zinc/15/92/86/279159286.db2.gz AHSJNKCIGYSYDF-RBUKOAKNSA-N 2 1 286.463 3.331 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000475348350 279160974 /nfs/dbraw/zinc/16/09/74/279160974.db2.gz CYOZHRZFVAREPP-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H]1CC=CCC1 ZINC000516745876 288129329 /nfs/dbraw/zinc/12/93/29/288129329.db2.gz WFGPCAGQJSXADY-VVLHAWIVSA-N 2 1 264.457 3.299 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H]1CC=CCC1 ZINC000516745876 288129334 /nfs/dbraw/zinc/12/93/34/288129334.db2.gz WFGPCAGQJSXADY-VVLHAWIVSA-N 2 1 264.457 3.299 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](C2CC2)C2CCC2)C[C@H](C)O1 ZINC000453072795 288160070 /nfs/dbraw/zinc/16/00/70/288160070.db2.gz AUUCYNWMGBMTOA-RVKKMQEKSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527654483 288182626 /nfs/dbraw/zinc/18/26/26/288182626.db2.gz QMVFKLAEMXNUTL-INIZCTEOSA-N 2 1 285.435 3.378 20 0 CGADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698352 280127946 /nfs/dbraw/zinc/12/79/46/280127946.db2.gz CZGVVMMRXUTCLT-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000414777733 280174170 /nfs/dbraw/zinc/17/41/70/280174170.db2.gz YHUORCRRSNYSHL-BVBHFADKSA-N 2 1 284.447 3.181 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000339408205 280239131 /nfs/dbraw/zinc/23/91/31/280239131.db2.gz RJTRQPQCDQGJQY-PVAVHDDUSA-N 2 1 260.425 3.095 20 0 CGADMP c1csc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000042331052 280506168 /nfs/dbraw/zinc/50/61/68/280506168.db2.gz FQDZOBFGOGGKIK-MRXNPFEDSA-N 2 1 276.449 3.416 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423324093 280778808 /nfs/dbraw/zinc/77/88/08/280778808.db2.gz HXVONQGMDSJLNB-DFEHZGFQSA-N 2 1 290.451 3.165 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342085282 281019645 /nfs/dbraw/zinc/01/96/45/281019645.db2.gz MGIBGPYKXKTELY-YJOCZYATSA-N 2 1 294.389 3.475 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268738166 281058949 /nfs/dbraw/zinc/05/89/49/281058949.db2.gz FIGXVCVTWYJLIY-SFHVURJKSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000178959817 281095611 /nfs/dbraw/zinc/09/56/11/281095611.db2.gz AJAFSJVBZXTZJQ-KYJSFNMBSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000178959817 281095615 /nfs/dbraw/zinc/09/56/15/281095615.db2.gz AJAFSJVBZXTZJQ-KYJSFNMBSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000414203388 281117580 /nfs/dbraw/zinc/11/75/80/281117580.db2.gz ZYDGBQZMNOELHA-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000302225523 281170194 /nfs/dbraw/zinc/17/01/94/281170194.db2.gz OUFMOEMHHFWJRL-MAUKXSAKSA-N 2 1 295.430 3.464 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000271516155 281494462 /nfs/dbraw/zinc/49/44/62/281494462.db2.gz IRBSBOCYUSKBEQ-HNNXBMFYSA-N 2 1 287.451 3.448 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531724439 288343501 /nfs/dbraw/zinc/34/35/01/288343501.db2.gz VCVRIRVWLIYZOY-CKEIUWERSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531724439 288343503 /nfs/dbraw/zinc/34/35/03/288343503.db2.gz VCVRIRVWLIYZOY-CKEIUWERSA-N 2 1 278.415 3.219 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000539411381 288613880 /nfs/dbraw/zinc/61/38/80/288613880.db2.gz JOUODDUPAWTKPH-DDJMYBDESA-N 2 1 299.418 3.139 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000548873873 289026752 /nfs/dbraw/zinc/02/67/52/289026752.db2.gz RPPSWAFTJQTTAW-OAHLLOKOSA-N 2 1 263.429 3.388 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCc3ccccc3)C2)C1 ZINC000549840933 289055797 /nfs/dbraw/zinc/05/57/97/289055797.db2.gz QJYNJBCZHMSVAR-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP C(C[N@H+]1CC[C@H](CC2CC2)C1)N1CC[C@H](CC2CC2)C1 ZINC000550032519 289065021 /nfs/dbraw/zinc/06/50/21/289065021.db2.gz PJVZZTCURIUUDG-QZTJIDSGSA-N 2 1 276.468 3.230 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000550796402 289084459 /nfs/dbraw/zinc/08/44/59/289084459.db2.gz XXZSKFPOCAHDLN-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000551042527 289096350 /nfs/dbraw/zinc/09/63/50/289096350.db2.gz NNCYRTKQMQVOHW-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]CC(C(C)C)C(C)C)CC1 ZINC000551185284 289101388 /nfs/dbraw/zinc/10/13/88/289101388.db2.gz QKOCXMAIFHWJJP-UHFFFAOYSA-N 2 1 298.515 3.394 20 0 CGADMP COc1cc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000551315211 289111488 /nfs/dbraw/zinc/11/14/88/289111488.db2.gz OSMSVJXXTHFKOD-GJZGRUSLSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050649 289155678 /nfs/dbraw/zinc/15/56/78/289155678.db2.gz OBGGHXFGQDVTDX-BBWFWOEESA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000552050649 289155681 /nfs/dbraw/zinc/15/56/81/289155681.db2.gz OBGGHXFGQDVTDX-BBWFWOEESA-N 2 1 289.467 3.409 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552246604 289175140 /nfs/dbraw/zinc/17/51/40/289175140.db2.gz ZGSWODAUPJMADX-UVBJJODRSA-N 2 1 296.817 3.442 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552246604 289175141 /nfs/dbraw/zinc/17/51/41/289175141.db2.gz ZGSWODAUPJMADX-UVBJJODRSA-N 2 1 296.817 3.442 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000552275123 289177100 /nfs/dbraw/zinc/17/71/00/289177100.db2.gz LVZKRBGXSBUFGX-HRCADAONSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000554349827 289273410 /nfs/dbraw/zinc/27/34/10/289273410.db2.gz PYCMGRDPXKCUBG-IEBWSBKVSA-N 2 1 286.463 3.472 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247029446 289309683 /nfs/dbraw/zinc/30/96/83/289309683.db2.gz LEKPSWFVYIVIEN-UXLLHSPISA-N 2 1 288.435 3.363 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000556254093 289382054 /nfs/dbraw/zinc/38/20/54/289382054.db2.gz LSTCRMJTVCZVBD-JYJNAYRXSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261661315 290224795 /nfs/dbraw/zinc/22/47/95/290224795.db2.gz KOCHILQDRHCFMN-MRVWCRGKSA-N 2 1 298.352 3.308 20 0 CGADMP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423376684 294108089 /nfs/dbraw/zinc/10/80/89/294108089.db2.gz YJWPSHBIYRJFBQ-HIFRSBDPSA-N 2 1 294.826 3.285 20 0 CGADMP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414932116 294116477 /nfs/dbraw/zinc/11/64/77/294116477.db2.gz VLSSHGQHAWBYRH-XPKDYRNWSA-N 2 1 278.827 3.318 20 0 CGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000423331647 295224745 /nfs/dbraw/zinc/22/47/45/295224745.db2.gz MRYZSOSYWDHKAJ-ROUUACIJSA-N 2 1 288.435 3.063 20 0 CGADMP COc1ccccc1C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414669464 295361600 /nfs/dbraw/zinc/36/16/00/295361600.db2.gz BKQUBVFWTPSKPB-GJZGRUSLSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@@]1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCC[NH2+]C1 ZINC000423344749 297900135 /nfs/dbraw/zinc/90/01/35/297900135.db2.gz OOHHPDNAXXRIMU-NVXWUHKLSA-N 2 1 292.398 3.019 20 0 CGADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[NH2+]C1 ZINC000423204464 298325649 /nfs/dbraw/zinc/32/56/49/298325649.db2.gz AWJSQZQNLTXOKS-KGLIPLIRSA-N 2 1 285.435 3.176 20 0 CGADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335568865 301288318 /nfs/dbraw/zinc/28/83/18/301288318.db2.gz NCAYYXZJWXPAMP-OAHLLOKOSA-N 2 1 294.826 3.204 20 0 CGADMP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414886606 303118685 /nfs/dbraw/zinc/11/86/85/303118685.db2.gz QCZPXNYSXIGAKA-QLFBSQMISA-N 2 1 298.352 3.293 20 0 CGADMP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCCCC2)cc1F ZINC000423366906 303131978 /nfs/dbraw/zinc/13/19/78/303131978.db2.gz LSLUPITVDMPWRJ-RHSMWYFYSA-N 2 1 294.389 3.333 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1ccc(F)cc1F ZINC000564327311 322027641 /nfs/dbraw/zinc/02/76/41/322027641.db2.gz YOGZAKAGNHINPM-DPWYAMJXSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1ccc(F)cc1F ZINC000564327311 322027643 /nfs/dbraw/zinc/02/76/43/322027643.db2.gz YOGZAKAGNHINPM-DPWYAMJXSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000564327311 322027644 /nfs/dbraw/zinc/02/76/44/322027644.db2.gz YOGZAKAGNHINPM-DPWYAMJXSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000564327311 322027646 /nfs/dbraw/zinc/02/76/46/322027646.db2.gz YOGZAKAGNHINPM-DPWYAMJXSA-N 2 1 294.389 3.250 20 0 CGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1cccc(F)c1 ZINC000564344756 322028810 /nfs/dbraw/zinc/02/88/10/322028810.db2.gz WMHUMQFSCMZOCT-UHFFFAOYSA-N 2 1 289.398 3.402 20 0 CGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1cccc(F)c1 ZINC000564344756 322028811 /nfs/dbraw/zinc/02/88/11/322028811.db2.gz WMHUMQFSCMZOCT-UHFFFAOYSA-N 2 1 289.398 3.402 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000565834120 322093287 /nfs/dbraw/zinc/09/32/87/322093287.db2.gz YCKZDESGDMVMLH-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000566088016 322103635 /nfs/dbraw/zinc/10/36/35/322103635.db2.gz LKUYGJJYHKDRHI-IBGZPJMESA-N 2 1 298.430 3.374 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000566748474 322137220 /nfs/dbraw/zinc/13/72/20/322137220.db2.gz KUJJVAVGYFDDGG-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)c1 ZINC000567026491 322147146 /nfs/dbraw/zinc/14/71/46/322147146.db2.gz FMURCHYCFBQVKR-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)c1 ZINC000567026491 322147148 /nfs/dbraw/zinc/14/71/48/322147148.db2.gz FMURCHYCFBQVKR-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)c1 ZINC000567026491 322147151 /nfs/dbraw/zinc/14/71/51/322147151.db2.gz FMURCHYCFBQVKR-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP C[C@]1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCC[NH2+]C1 ZINC000567654830 322172039 /nfs/dbraw/zinc/17/20/39/322172039.db2.gz MINNJAZDPLDVSG-WBVHZDCISA-N 2 1 290.455 3.010 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000568049029 322190064 /nfs/dbraw/zinc/19/00/64/322190064.db2.gz KCDBOZKJROTNLV-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000568162385 322195475 /nfs/dbraw/zinc/19/54/75/322195475.db2.gz WENDCZNJQNWPGQ-CMPLNLGQSA-N 2 1 293.461 3.183 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000568162385 322195477 /nfs/dbraw/zinc/19/54/77/322195477.db2.gz WENDCZNJQNWPGQ-CMPLNLGQSA-N 2 1 293.461 3.183 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000568269473 322201929 /nfs/dbraw/zinc/20/19/29/322201929.db2.gz MFJSCNCHRGQDHQ-IRXDYDNUSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000569172556 322237792 /nfs/dbraw/zinc/23/77/92/322237792.db2.gz ZHCBRPBAEBUBPK-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000569172558 322237935 /nfs/dbraw/zinc/23/79/35/322237935.db2.gz ZHCBRPBAEBUBPK-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000570854391 322283805 /nfs/dbraw/zinc/28/38/05/322283805.db2.gz NSTVKRUDIBCYKP-KSSFIOAISA-N 2 1 290.426 3.221 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000571018798 322287721 /nfs/dbraw/zinc/28/77/21/322287721.db2.gz KXJCIRDUBWVLOC-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](C[N@H+](C)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000571294722 322295254 /nfs/dbraw/zinc/29/52/54/322295254.db2.gz CODYBKWINAMLTE-HNNXBMFYSA-N 2 1 271.408 3.088 20 0 CGADMP C[C@@H](C[N@@H+](C)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000571294722 322295255 /nfs/dbraw/zinc/29/52/55/322295255.db2.gz CODYBKWINAMLTE-HNNXBMFYSA-N 2 1 271.408 3.088 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](CC)c1ccccc1Br ZINC000571908195 322311739 /nfs/dbraw/zinc/31/17/39/322311739.db2.gz ODWYUMJWBPNXAD-AWEZNQCLSA-N 2 1 299.256 3.489 20 0 CGADMP Cc1cnccc1CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000576820265 335251475 /nfs/dbraw/zinc/25/14/75/335251475.db2.gz QEOHAJMNVKXBII-ZDUSSCGKSA-N 2 1 275.421 3.125 20 0 CGADMP CCc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000576884866 335260657 /nfs/dbraw/zinc/26/06/57/335260657.db2.gz MMYAHUDGXVWSDN-UHFFFAOYSA-N 2 1 271.408 3.047 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000576884866 335260658 /nfs/dbraw/zinc/26/06/58/335260658.db2.gz MMYAHUDGXVWSDN-UHFFFAOYSA-N 2 1 271.408 3.047 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000580550568 335277771 /nfs/dbraw/zinc/27/77/71/335277771.db2.gz VHXNVRLDKKDMCS-HNNXBMFYSA-N 2 1 280.387 3.017 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000580563862 335286876 /nfs/dbraw/zinc/28/68/76/335286876.db2.gz FXJNMKZWFNRGKP-RRFJBIMHSA-N 2 1 252.446 3.262 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000577681446 335388035 /nfs/dbraw/zinc/38/80/35/335388035.db2.gz SGHIOMOENOPDLT-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000577681446 335388036 /nfs/dbraw/zinc/38/80/36/335388036.db2.gz SGHIOMOENOPDLT-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP Cc1csc([C@@H](NCC[C@@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC000581278423 336035743 /nfs/dbraw/zinc/03/57/43/336035743.db2.gz YUBSQVWZIIVLEE-GJZGRUSLSA-N 2 1 293.480 3.367 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](CCC(C)C)C2CC2)CC1 ZINC000381068984 336048652 /nfs/dbraw/zinc/04/86/52/336048652.db2.gz AZOMDPIBVGAKMJ-INIZCTEOSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000383414236 336108597 /nfs/dbraw/zinc/10/85/97/336108597.db2.gz MADGRBHPUMANRO-CALCHBBNSA-N 2 1 272.436 3.043 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581720470 336136906 /nfs/dbraw/zinc/13/69/06/336136906.db2.gz ZBYDSSHSLFYERI-JKSUJKDBSA-N 2 1 290.451 3.199 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000581972961 336181525 /nfs/dbraw/zinc/18/15/25/336181525.db2.gz PYZIPOHIPDWIEN-DJIMGWMZSA-N 2 1 264.457 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CCCC2)[C@@H](C)C1 ZINC000245435604 500689767 /nfs/dbraw/zinc/68/97/67/500689767.db2.gz QNRNPGJJXSNXAK-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CCCC2)[C@@H](C)C1 ZINC000245435604 500689770 /nfs/dbraw/zinc/68/97/70/500689770.db2.gz QNRNPGJJXSNXAK-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCCC2)[C@@H](C)C1 ZINC000245435604 500689764 /nfs/dbraw/zinc/68/97/64/500689764.db2.gz QNRNPGJJXSNXAK-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP COc1cccc2c(C[N@@H+](C)C[C@@H]3CC[NH+](C)C3)cccc12 ZINC000449264979 533833358 /nfs/dbraw/zinc/83/33/58/533833358.db2.gz OHFSWSPUTNEHLK-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP COc1cccc2c(C[NH+](C)C[C@@H]3CC[N@H+](C)C3)cccc12 ZINC000449264979 533833368 /nfs/dbraw/zinc/83/33/68/533833368.db2.gz OHFSWSPUTNEHLK-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP COc1cccc2c(C[NH+](C)C[C@@H]3CC[N@@H+](C)C3)cccc12 ZINC000449264979 533833370 /nfs/dbraw/zinc/83/33/70/533833370.db2.gz OHFSWSPUTNEHLK-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc2ccccc21 ZINC000449170625 533897472 /nfs/dbraw/zinc/89/74/72/533897472.db2.gz IVZOYYZDDDINPF-WMLDXEAASA-N 2 1 298.430 3.421 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772699 533987615 /nfs/dbraw/zinc/98/76/15/533987615.db2.gz VGNSGBIROCEFMR-QRQLOZEOSA-N 2 1 286.463 3.187 20 0 CGADMP C[C@H](CF)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449332116 534006881 /nfs/dbraw/zinc/00/68/81/534006881.db2.gz QDQZRFXZQKMBBS-CABCVRRESA-N 2 1 278.415 3.030 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437344129 534028654 /nfs/dbraw/zinc/02/86/54/534028654.db2.gz LTOUNJNLDZUOJN-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP CSc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000365708333 534147776 /nfs/dbraw/zinc/14/77/76/534147776.db2.gz IHVVSSROJBMXHR-MQVJKMGUSA-N 2 1 290.476 3.432 20 0 CGADMP CSc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000365708333 534147782 /nfs/dbraw/zinc/14/77/82/534147782.db2.gz IHVVSSROJBMXHR-MQVJKMGUSA-N 2 1 290.476 3.432 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCF)C1 ZINC000367544898 534163441 /nfs/dbraw/zinc/16/34/41/534163441.db2.gz QLHNZTICMCZQRI-HZPDHXFCSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCF)C1 ZINC000367544898 534163451 /nfs/dbraw/zinc/16/34/51/534163451.db2.gz QLHNZTICMCZQRI-HZPDHXFCSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCF)C1 ZINC000367544898 534163461 /nfs/dbraw/zinc/16/34/61/534163461.db2.gz QLHNZTICMCZQRI-HZPDHXFCSA-N 2 1 270.436 3.323 20 0 CGADMP CCC[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000163909998 519847631 /nfs/dbraw/zinc/84/76/31/519847631.db2.gz ANAVQMJVVVAAJV-UHFFFAOYSA-N 2 1 298.228 3.130 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2n1 ZINC000368736016 534470334 /nfs/dbraw/zinc/47/03/34/534470334.db2.gz LGHHFPCHTAHELR-ZWKOTPCHSA-N 2 1 295.430 3.260 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cs1 ZINC000423293923 534544259 /nfs/dbraw/zinc/54/42/59/534544259.db2.gz SNPBWHHUJYOWHR-GHMZBOCLSA-N 2 1 275.421 3.322 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000094011636 521684665 /nfs/dbraw/zinc/68/46/65/521684665.db2.gz QZHSWMNEHBMVNF-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000037643642 521711444 /nfs/dbraw/zinc/71/14/44/521711444.db2.gz WLBPQJMIMZQERT-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000037643642 521711445 /nfs/dbraw/zinc/71/14/45/521711445.db2.gz WLBPQJMIMZQERT-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000037643641 521717693 /nfs/dbraw/zinc/71/76/93/521717693.db2.gz WLBPQJMIMZQERT-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000037643641 521717694 /nfs/dbraw/zinc/71/76/94/521717694.db2.gz WLBPQJMIMZQERT-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183946163 521879449 /nfs/dbraw/zinc/87/94/49/521879449.db2.gz ZCYGRIFSFVHEFE-CYBMUJFWSA-N 2 1 268.351 3.008 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183946163 521879463 /nfs/dbraw/zinc/87/94/63/521879463.db2.gz ZCYGRIFSFVHEFE-CYBMUJFWSA-N 2 1 268.351 3.008 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)C1CCCC1 ZINC000423534973 534678041 /nfs/dbraw/zinc/67/80/41/534678041.db2.gz WWJJLCKKKSISKZ-HUUCEWRRSA-N 2 1 294.439 3.470 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000049553617 524478665 /nfs/dbraw/zinc/47/86/65/524478665.db2.gz DMJOMJSDXTUSPM-RYUDHWBXSA-N 2 1 286.366 3.279 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000088163716 525299775 /nfs/dbraw/zinc/29/97/75/525299775.db2.gz UXYMMJVHJITTJW-PRTUASRFSA-N 2 1 264.438 3.414 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000088163716 525299780 /nfs/dbraw/zinc/29/97/80/525299780.db2.gz UXYMMJVHJITTJW-PRTUASRFSA-N 2 1 264.438 3.414 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)CCC2 ZINC000278875032 525420160 /nfs/dbraw/zinc/42/01/60/525420160.db2.gz CCLXLFWEXICXBK-LSDHHAIUSA-N 2 1 295.430 3.285 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000184488999 526211073 /nfs/dbraw/zinc/21/10/73/526211073.db2.gz WPWRILXXVDKTLM-HZPDHXFCSA-N 2 1 275.440 3.305 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]CCC3CC3)CC2)cc1 ZINC000088455143 526468445 /nfs/dbraw/zinc/46/84/45/526468445.db2.gz XZXSACMDPQMHRI-UHFFFAOYSA-N 2 1 258.409 3.041 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000423287538 527257970 /nfs/dbraw/zinc/25/79/70/527257970.db2.gz MUXIEMVWRNHOPC-OAHLLOKOSA-N 2 1 264.388 3.384 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000049525535 527433150 /nfs/dbraw/zinc/43/31/50/527433150.db2.gz ZRZDKDBJCDDOFA-LLVKDONJSA-N 2 1 263.772 3.196 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358509477 527477069 /nfs/dbraw/zinc/47/70/69/527477069.db2.gz QCBPQDCIKDZURJ-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP CC(C)C1([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423132004 527623407 /nfs/dbraw/zinc/62/34/07/527623407.db2.gz IPMRZEBMQOZMBX-CVEARBPZSA-N 2 1 258.409 3.258 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(CSC)CC2)[C@H](C)C1 ZINC000449172224 527798770 /nfs/dbraw/zinc/79/87/70/527798770.db2.gz VHVZOKXFVVREQB-PRLABOORSA-N 2 1 284.513 3.228 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCOC(C)(C)C)C1 ZINC000354848408 527848926 /nfs/dbraw/zinc/84/89/26/527848926.db2.gz KXCKRVYWYDXWTQ-MRXNPFEDSA-N 2 1 284.488 3.245 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354848408 527848932 /nfs/dbraw/zinc/84/89/32/527848932.db2.gz KXCKRVYWYDXWTQ-MRXNPFEDSA-N 2 1 284.488 3.245 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354848408 527848935 /nfs/dbraw/zinc/84/89/35/527848935.db2.gz KXCKRVYWYDXWTQ-MRXNPFEDSA-N 2 1 284.488 3.245 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000414074743 528262537 /nfs/dbraw/zinc/26/25/37/528262537.db2.gz OKDUINVBFMDALI-OWCLPIDISA-N 2 1 296.499 3.290 20 0 CGADMP CC[N@H+](CCCCn1cc[nH+]c1C)C1CC(C)(C)C1 ZINC000412030344 528432601 /nfs/dbraw/zinc/43/26/01/528432601.db2.gz DZVHUDBVTNSSKW-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C1CC(C)(C)C1 ZINC000412030344 528432604 /nfs/dbraw/zinc/43/26/04/528432604.db2.gz DZVHUDBVTNSSKW-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423306965 528517669 /nfs/dbraw/zinc/51/76/69/528517669.db2.gz FWRRPWLOQWHKHL-CVEARBPZSA-N 2 1 275.440 3.005 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423272822 528519902 /nfs/dbraw/zinc/51/99/02/528519902.db2.gz ZLFODGHRVFJURH-DGCLKSJQSA-N 2 1 277.437 3.320 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1OCC ZINC000423276764 528606788 /nfs/dbraw/zinc/60/67/88/528606788.db2.gz OUHXMMKPMAKDBL-DZGCQCFKSA-N 2 1 294.439 3.118 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)Cc1ccoc1)[NH+](C)C ZINC000449079501 528823319 /nfs/dbraw/zinc/82/33/19/528823319.db2.gz ZAZOBMFSJZSVFN-CZUORRHYSA-N 2 1 266.429 3.167 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1cc2cccnc2o1)C(C)C ZINC000449182660 528886049 /nfs/dbraw/zinc/88/60/49/528886049.db2.gz JXPWRNAMSZAUDO-UHFFFAOYSA-N 2 1 289.423 3.426 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423292366 528954425 /nfs/dbraw/zinc/95/44/25/528954425.db2.gz MSZLAFZRALARIQ-HNNXBMFYSA-N 2 1 261.413 3.030 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423297664 528955237 /nfs/dbraw/zinc/95/52/37/528955237.db2.gz LGVRRLLMLPAICA-JQHSSLGASA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CC[C@H](C)C3)sc2C1 ZINC000436404331 529083935 /nfs/dbraw/zinc/08/39/35/529083935.db2.gz LOZBMHISCHJHKE-STQMWFEESA-N 2 1 293.480 3.188 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC[C@H](C)C3)sc2C1 ZINC000436404331 529083940 /nfs/dbraw/zinc/08/39/40/529083940.db2.gz LOZBMHISCHJHKE-STQMWFEESA-N 2 1 293.480 3.188 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(OC(F)F)cc1 ZINC000423460538 529173436 /nfs/dbraw/zinc/17/34/36/529173436.db2.gz IZYFXGHQLVLCEV-WCQYABFASA-N 2 1 272.339 3.066 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423460572 529257723 /nfs/dbraw/zinc/25/77/23/529257723.db2.gz JCRQIVGWLRYUCP-RYUDHWBXSA-N 2 1 252.427 3.187 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423268948 529257753 /nfs/dbraw/zinc/25/77/53/529257753.db2.gz FGTYQQJXPCKASK-FZMZJTMJSA-N 2 1 264.438 3.187 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459389398 535525319 /nfs/dbraw/zinc/52/53/19/535525319.db2.gz NLKZAWNYDNNXNE-NFOMZHRRSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000037649082 535804775 /nfs/dbraw/zinc/80/47/75/535804775.db2.gz VWKGOVFTEDGLHF-GXTWGEPZSA-N 2 1 264.438 3.273 20 0 CGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCC[C@@H]1C ZINC000487971665 536835488 /nfs/dbraw/zinc/83/54/88/536835488.db2.gz LBMXNUWCLBTLRL-RDJZCZTQSA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCC[C@@H]1C ZINC000487971665 536835491 /nfs/dbraw/zinc/83/54/91/536835491.db2.gz LBMXNUWCLBTLRL-RDJZCZTQSA-N 2 1 293.455 3.109 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000261554822 618083404 /nfs/dbraw/zinc/08/34/04/618083404.db2.gz UQVUUAZNDQHBIE-SFHVURJKSA-N 2 1 296.414 3.046 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC[NH2+]C1 ZINC000261703610 618112495 /nfs/dbraw/zinc/11/24/95/618112495.db2.gz CSVZDTIHNGHORM-MSOLQXFVSA-N 2 1 272.436 3.256 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261961117 618239486 /nfs/dbraw/zinc/23/94/86/618239486.db2.gz PGPXCUKXWMTXHF-SMDDNHRTSA-N 2 1 286.341 3.183 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2C)CC1 ZINC000891744076 618272094 /nfs/dbraw/zinc/27/20/94/618272094.db2.gz XFXZBDIWGCHTNR-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000934287496 618574524 /nfs/dbraw/zinc/57/45/24/618574524.db2.gz LWDHNECREQXWOS-INIZCTEOSA-N 2 1 286.423 3.043 20 0 CGADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1Cl ZINC000091843773 618736934 /nfs/dbraw/zinc/73/69/34/618736934.db2.gz KQXXRYFWLUFSNY-UHFFFAOYSA-N 2 1 282.815 3.050 20 0 CGADMP C[N@@H+](Cc1csc(C(C)(C)C)n1)C1CCC([NH3+])CC1 ZINC000091846405 618737624 /nfs/dbraw/zinc/73/76/24/618737624.db2.gz XZQBGLDIXSQWQP-UHFFFAOYSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cnc1F ZINC000892584559 618867716 /nfs/dbraw/zinc/86/77/16/618867716.db2.gz MCQANZDIQWQTPM-CQSZACIVSA-N 2 1 293.430 3.131 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000925520246 619012648 /nfs/dbraw/zinc/01/26/48/619012648.db2.gz LQOMSVTZYAOICW-IAQYHMDHSA-N 2 1 291.826 3.094 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000925710611 619157181 /nfs/dbraw/zinc/15/71/81/619157181.db2.gz XFWPWJHRQUHMKV-CQSZACIVSA-N 2 1 297.402 3.254 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CCCC1)[NH+]1CCC(C)CC1 ZINC000236728086 619182755 /nfs/dbraw/zinc/18/27/55/619182755.db2.gz QFMDUOBEVJQCFX-MRXNPFEDSA-N 2 1 252.446 3.275 20 0 CGADMP CCC(CC)(C[NH2+][C@H]1CCC[NH2+][C@@H]1C)C(F)(F)F ZINC000925734438 619209517 /nfs/dbraw/zinc/20/95/17/619209517.db2.gz PNSANQOEVMYPNZ-MNOVXSKESA-N 2 1 266.351 3.085 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925781743 619243444 /nfs/dbraw/zinc/24/34/44/619243444.db2.gz JOZUIKLMAYFTRM-ZFWWWQNUSA-N 2 1 282.378 3.199 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3cccc4c3NCCC4)C2)n1 ZINC000893966373 619341480 /nfs/dbraw/zinc/34/14/80/619341480.db2.gz PQPVIVKTTFBDOP-MRXNPFEDSA-N 2 1 296.418 3.147 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012880 619490404 /nfs/dbraw/zinc/49/04/04/619490404.db2.gz XPORGJDCMNVHBX-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012880 619490407 /nfs/dbraw/zinc/49/04/07/619490407.db2.gz XPORGJDCMNVHBX-SWLSCSKDSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494167 619555506 /nfs/dbraw/zinc/55/55/06/619555506.db2.gz CVXLFFLITWFEHD-YQVWRLOYSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494167 619555508 /nfs/dbraw/zinc/55/55/08/619555508.db2.gz CVXLFFLITWFEHD-YQVWRLOYSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494167 619555509 /nfs/dbraw/zinc/55/55/09/619555509.db2.gz CVXLFFLITWFEHD-YQVWRLOYSA-N 2 1 284.447 3.133 20 0 CGADMP Fc1cccc(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262098568 619705417 /nfs/dbraw/zinc/70/54/17/619705417.db2.gz VJLWOJJJXIAWFE-UHFFFAOYSA-N 2 1 282.790 3.055 20 0 CGADMP CC(C)Cc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000895587129 619855424 /nfs/dbraw/zinc/85/54/24/619855424.db2.gz IVIFBRWLCSVETH-KRWDZBQOSA-N 2 1 289.467 3.102 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000895587129 619855426 /nfs/dbraw/zinc/85/54/26/619855426.db2.gz IVIFBRWLCSVETH-KRWDZBQOSA-N 2 1 289.467 3.102 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000895587129 619855427 /nfs/dbraw/zinc/85/54/27/619855427.db2.gz IVIFBRWLCSVETH-KRWDZBQOSA-N 2 1 289.467 3.102 20 0 CGADMP Cc1ccsc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895670389 619869337 /nfs/dbraw/zinc/86/93/37/619869337.db2.gz FYRFOTOCTMEUTN-UHFFFAOYSA-N 2 1 264.438 3.117 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnn1C1CCC1 ZINC000925219630 620235901 /nfs/dbraw/zinc/23/59/01/620235901.db2.gz FMNHOFRIINLBJN-OFQRWUPVSA-N 2 1 290.455 3.132 20 0 CGADMP Cc1nc2ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc2s1 ZINC000261970071 620381231 /nfs/dbraw/zinc/38/12/31/620381231.db2.gz QESUCQGNIQOXHR-UHFFFAOYSA-N 2 1 277.437 3.021 20 0 CGADMP FC1(F)CC[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000898015588 620467080 /nfs/dbraw/zinc/46/70/80/620467080.db2.gz ZWEQLXVFUBGTCX-GFCCVEGCSA-N 2 1 272.383 3.028 20 0 CGADMP C1=CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000898032476 620470225 /nfs/dbraw/zinc/47/02/25/620470225.db2.gz RNBQCBNRYIHQQS-OAHLLOKOSA-N 2 1 262.441 3.339 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000924693550 620564622 /nfs/dbraw/zinc/56/46/22/620564622.db2.gz CLNZXLGSOKFKEY-BZSNNMDCSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000237510137 620865928 /nfs/dbraw/zinc/86/59/28/620865928.db2.gz OKVBIIVIYFWDCV-GASCZTMLSA-N 2 1 278.440 3.436 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331580 621267321 /nfs/dbraw/zinc/26/73/21/621267321.db2.gz BWJVFAWMRSGYJW-CYBMUJFWSA-N 2 1 264.388 3.002 20 0 CGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902407580 621293321 /nfs/dbraw/zinc/29/33/21/621293321.db2.gz QZOGISUVXOXACA-SFHVURJKSA-N 2 1 296.414 3.060 20 0 CGADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902408089 621294122 /nfs/dbraw/zinc/29/41/22/621294122.db2.gz WROIICAVSAEWHV-NSHDSACASA-N 2 1 286.341 3.107 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)CCO2 ZINC000902403546 621307963 /nfs/dbraw/zinc/30/79/63/621307963.db2.gz IJLUDVSGXLLCEC-NXOUGTEYSA-N 2 1 294.398 3.417 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)c2cccc(Br)c21 ZINC000902418025 621310282 /nfs/dbraw/zinc/31/02/82/621310282.db2.gz ULRJFWZKOQEEOE-BXKDBHETSA-N 2 1 295.224 3.078 20 0 CGADMP CC(C)Sc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902418035 621310429 /nfs/dbraw/zinc/31/04/29/621310429.db2.gz ULXFDPOJBVOOIV-LBPRGKRZSA-N 2 1 264.438 3.329 20 0 CGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)c(F)c1 ZINC000902455292 621332961 /nfs/dbraw/zinc/33/29/61/621332961.db2.gz KNIFRSSASSWPRO-RBOXIYTFSA-N 2 1 292.373 3.085 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000902466279 621338573 /nfs/dbraw/zinc/33/85/73/621338573.db2.gz MFDYJHKJKWVLGY-WWBIDZNWSA-N 2 1 296.867 3.376 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H](C)c1ccc(Cl)cc1 ZINC000902467626 621339211 /nfs/dbraw/zinc/33/92/11/621339211.db2.gz PUEJXSWZKAASND-UVABKVKNSA-N 2 1 278.827 3.315 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903069677 621567705 /nfs/dbraw/zinc/56/77/05/621567705.db2.gz YJYIQAZNVSISES-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCOCC1 ZINC000903069819 621568535 /nfs/dbraw/zinc/56/85/35/621568535.db2.gz JWSUFIYQVDIABX-WMZOPIPTSA-N 2 1 296.499 3.149 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)[C@H]2CCC[C@@H]21 ZINC000903160589 621605393 /nfs/dbraw/zinc/60/53/93/621605393.db2.gz RBUFTTWCDVTLRQ-NCHGBYHQSA-N 2 1 294.508 3.123 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000903195687 621621842 /nfs/dbraw/zinc/62/18/42/621621842.db2.gz YMLZYSMQVJPECR-YJBOKZPZSA-N 2 1 297.446 3.097 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCCC13CC3)C2 ZINC000903210224 621630602 /nfs/dbraw/zinc/63/06/02/621630602.db2.gz VMVWGEPIGYOFPI-WDVRLDOZSA-N 2 1 260.425 3.067 20 0 CGADMP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C2CC2)nc1 ZINC000903223880 621634949 /nfs/dbraw/zinc/63/49/49/621634949.db2.gz LVDIBXKBNJIDRB-SOXMVSPVSA-N 2 1 297.446 3.280 20 0 CGADMP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)nc1 ZINC000903223880 621634954 /nfs/dbraw/zinc/63/49/54/621634954.db2.gz LVDIBXKBNJIDRB-SOXMVSPVSA-N 2 1 297.446 3.280 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903427034 621741507 /nfs/dbraw/zinc/74/15/07/621741507.db2.gz QNGRQKYNZIHOAT-UWWQBHOKSA-N 2 1 288.435 3.350 20 0 CGADMP C[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1CCC([NH3+])CC1 ZINC000903425241 621742154 /nfs/dbraw/zinc/74/21/54/621742154.db2.gz YBLFLIHUBNGSQU-QDIHITRGSA-N 2 1 294.389 3.237 20 0 CGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903434782 621745640 /nfs/dbraw/zinc/74/56/40/621745640.db2.gz JDEBUAOJURHTJS-VYDXJSESSA-N 2 1 288.435 3.078 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000903461584 621752224 /nfs/dbraw/zinc/75/22/24/621752224.db2.gz VCQRCRBEPFBPIN-OCCSQVGLSA-N 2 1 264.438 3.110 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000903464263 621753784 /nfs/dbraw/zinc/75/37/84/621753784.db2.gz FNGARLMHORWPKH-AEGPPILISA-N 2 1 294.389 3.272 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CCCCC3)CC2)CC[N@@H+]1C ZINC000903447781 621759423 /nfs/dbraw/zinc/75/94/23/621759423.db2.gz CKNZOQWBLPRROM-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CCCCC3)CC2)CC[N@H+]1C ZINC000903447781 621759426 /nfs/dbraw/zinc/75/94/26/621759426.db2.gz CKNZOQWBLPRROM-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)C1 ZINC000903481733 621764927 /nfs/dbraw/zinc/76/49/27/621764927.db2.gz LEAMXHQMPNHEGE-ZJOBFFGXSA-N 2 1 256.393 3.048 20 0 CGADMP Fc1cccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000903569654 621768657 /nfs/dbraw/zinc/76/86/57/621768657.db2.gz GAYHQIHQLINPNH-CQSZACIVSA-N 2 1 276.399 3.180 20 0 CGADMP c1csc([C@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]C2)c1 ZINC000903718661 621796425 /nfs/dbraw/zinc/79/64/25/621796425.db2.gz QLNYECWKWLXNLF-UONOGXRCSA-N 2 1 264.438 3.275 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734706 621800328 /nfs/dbraw/zinc/80/03/28/621800328.db2.gz VEOKGBWOMNNTNZ-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000903812127 621814260 /nfs/dbraw/zinc/81/42/60/621814260.db2.gz QJIQMLUBEWRYKW-QKPAOTATSA-N 2 1 262.441 3.016 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818852 621814930 /nfs/dbraw/zinc/81/49/30/621814930.db2.gz WYFQSRMQYDOKFX-MRXNPFEDSA-N 2 1 294.483 3.047 20 0 CGADMP CC1(C)CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000903823827 621816581 /nfs/dbraw/zinc/81/65/81/621816581.db2.gz KFCMMNVSEQSXMX-RDJZCZTQSA-N 2 1 272.436 3.112 20 0 CGADMP CCC(CC)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903879470 621825423 /nfs/dbraw/zinc/82/54/23/621825423.db2.gz BQYIJAHGNVTIJZ-AGUYFDCRSA-N 2 1 250.430 3.170 20 0 CGADMP CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCc2ccccc21 ZINC000903884359 621826585 /nfs/dbraw/zinc/82/65/85/621826585.db2.gz XRYPJUAEMMAWSR-ZFWWWQNUSA-N 2 1 282.378 3.368 20 0 CGADMP CCC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCc2ccccc21 ZINC000903884358 621826955 /nfs/dbraw/zinc/82/69/55/621826955.db2.gz XRYPJUAEMMAWSR-UKRRQHHQSA-N 2 1 282.378 3.368 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903893225 621827387 /nfs/dbraw/zinc/82/73/87/621827387.db2.gz SRORHDSNWJAZFZ-WTXIUTQJSA-N 2 1 282.497 3.125 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000903898880 621829934 /nfs/dbraw/zinc/82/99/34/621829934.db2.gz OZCMXYXLWSCKRI-KBPBESRZSA-N 2 1 274.399 3.404 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000903898880 621829937 /nfs/dbraw/zinc/82/99/37/621829937.db2.gz OZCMXYXLWSCKRI-KBPBESRZSA-N 2 1 274.399 3.404 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914136 621832545 /nfs/dbraw/zinc/83/25/45/621832545.db2.gz GUIVOVHGIBVGQW-RKFYDKJMSA-N 2 1 290.373 3.180 20 0 CGADMP c1ccc2c(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)ccnc2c1 ZINC000903959618 621837194 /nfs/dbraw/zinc/83/71/94/621837194.db2.gz LAOOHXRNOWBROP-IBGZPJMESA-N 2 1 295.430 3.200 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc(Cl)c(C)c2)CC1 ZINC000903946108 621839681 /nfs/dbraw/zinc/83/96/81/621839681.db2.gz KGCJELGSSXYLTL-UHFFFAOYSA-N 2 1 266.816 3.352 20 0 CGADMP C(CC1CCCCCC1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970394 621843690 /nfs/dbraw/zinc/84/36/90/621843690.db2.gz WLWILTQBAUSDIN-KRWDZBQOSA-N 2 1 294.483 3.095 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1CC[NH3+] ZINC000903978722 621844761 /nfs/dbraw/zinc/84/47/61/621844761.db2.gz VHLBROYQQOCFSB-NXEZZACHSA-N 2 1 292.370 3.184 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904325365 621907808 /nfs/dbraw/zinc/90/78/08/621907808.db2.gz XPBFDGHAPANKKK-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000904371761 621914223 /nfs/dbraw/zinc/91/42/23/621914223.db2.gz SRNSDWQNUUGBAH-JQWIXIFHSA-N 2 1 286.341 3.180 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000904371761 621914228 /nfs/dbraw/zinc/91/42/28/621914228.db2.gz SRNSDWQNUUGBAH-JQWIXIFHSA-N 2 1 286.341 3.180 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000904406487 621918185 /nfs/dbraw/zinc/91/81/85/621918185.db2.gz WXZDBTSOOGUVHY-MRVPVSSYSA-N 2 1 279.236 3.226 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000904406487 621918196 /nfs/dbraw/zinc/91/81/96/621918196.db2.gz WXZDBTSOOGUVHY-MRVPVSSYSA-N 2 1 279.236 3.226 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405027 621918491 /nfs/dbraw/zinc/91/84/91/621918491.db2.gz HGLAFDIKAAMWKA-LBPRGKRZSA-N 2 1 286.341 3.185 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1C[NH3+] ZINC000904412368 621918795 /nfs/dbraw/zinc/91/87/95/621918795.db2.gz UKYCWDOMDGWWNJ-CRAIPNDOSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1C[NH3+] ZINC000904410806 621918810 /nfs/dbraw/zinc/91/88/10/621918810.db2.gz IOOUVUATRQEUGV-QAPCUYQASA-N 2 1 295.430 3.165 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904411719 621918996 /nfs/dbraw/zinc/91/89/96/621918996.db2.gz WYHHJQWSIJPTJC-UKRRQHHQSA-N 2 1 278.465 3.215 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)C2)C1 ZINC000906589654 622251141 /nfs/dbraw/zinc/25/11/41/622251141.db2.gz LHJVZCJCBJWLFV-BZSNNMDCSA-N 2 1 288.410 3.099 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)C2)C1 ZINC000906589654 622251142 /nfs/dbraw/zinc/25/11/42/622251142.db2.gz LHJVZCJCBJWLFV-BZSNNMDCSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3C[C@H]3c3cccc(F)c3)C2)C1 ZINC000906589654 622251145 /nfs/dbraw/zinc/25/11/45/622251145.db2.gz LHJVZCJCBJWLFV-BZSNNMDCSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3C[C@H]3c3cccc(F)c3)C2)C1 ZINC000906589654 622251148 /nfs/dbraw/zinc/25/11/48/622251148.db2.gz LHJVZCJCBJWLFV-BZSNNMDCSA-N 2 1 288.410 3.099 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000156562379 622825188 /nfs/dbraw/zinc/82/51/88/622825188.db2.gz BVFGGNHATYMYNR-XYPHTWIQSA-N 2 1 288.435 3.145 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000156562379 622825191 /nfs/dbraw/zinc/82/51/91/622825191.db2.gz BVFGGNHATYMYNR-XYPHTWIQSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817977869 625630986 /nfs/dbraw/zinc/63/09/86/625630986.db2.gz QWCRGTBUEJCPGS-UTLUCORTSA-N 2 1 274.380 3.388 20 0 CGADMP Fc1cccc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923303369 626144113 /nfs/dbraw/zinc/14/41/13/626144113.db2.gz CVIKNEOQGWYGED-MRXNPFEDSA-N 2 1 262.372 3.105 20 0 CGADMP Fc1cccc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)c1 ZINC000923303369 626144117 /nfs/dbraw/zinc/14/41/17/626144117.db2.gz CVIKNEOQGWYGED-MRXNPFEDSA-N 2 1 262.372 3.105 20 0 CGADMP CC1CCC(OC2CC[NH+](CCC[NH2+]C3CC3)CC2)CC1 ZINC000923313910 626145205 /nfs/dbraw/zinc/14/52/05/626145205.db2.gz ZZNBYJGEBIWZFT-UHFFFAOYSA-N 2 1 294.483 3.188 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000923351379 626148562 /nfs/dbraw/zinc/14/85/62/626148562.db2.gz RSBBZYQAFYGQDI-MJGOQNOKSA-N 2 1 298.405 3.043 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482912 626157294 /nfs/dbraw/zinc/15/72/94/626157294.db2.gz IRZZZGPLLULSKA-ZIAGYGMSSA-N 2 1 285.391 3.073 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000923481622 626157306 /nfs/dbraw/zinc/15/73/06/626157306.db2.gz SUJQITPBNLROGS-LZLYRXPVSA-N 2 1 272.436 3.241 20 0 CGADMP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166199412 626171494 /nfs/dbraw/zinc/17/14/94/626171494.db2.gz HRJPMFOVOPRUHX-IAGOWNOFSA-N 2 1 288.410 3.074 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839182743 626326221 /nfs/dbraw/zinc/32/62/21/626326221.db2.gz PMCCQXASNKEQIE-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000753661807 626461404 /nfs/dbraw/zinc/46/14/04/626461404.db2.gz HPTDUPSXGDVOIB-PMPSAXMXSA-N 2 1 290.451 3.445 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000753661807 626461406 /nfs/dbraw/zinc/46/14/06/626461406.db2.gz HPTDUPSXGDVOIB-PMPSAXMXSA-N 2 1 290.451 3.445 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCCCCCC2)CCCO1 ZINC000762650057 627119079 /nfs/dbraw/zinc/11/90/79/627119079.db2.gz OWZUUXGCDMHMCL-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCCCCCC2)CCCO1 ZINC000762650057 627119083 /nfs/dbraw/zinc/11/90/83/627119083.db2.gz OWZUUXGCDMHMCL-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC000765293044 627245241 /nfs/dbraw/zinc/24/52/41/627245241.db2.gz YUUSHIXZPKGVNQ-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1(CC)CC ZINC000766488787 627337236 /nfs/dbraw/zinc/33/72/36/627337236.db2.gz OLQOOMLFRMQOAJ-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)o1 ZINC000767372828 627402774 /nfs/dbraw/zinc/40/27/74/627402774.db2.gz IITNYHOEUKUNAQ-MQVJKMGUSA-N 2 1 262.397 3.001 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc2c(c1)CCCO2 ZINC000768100369 627458322 /nfs/dbraw/zinc/45/83/22/627458322.db2.gz RYDMXDLFDSPXRS-KRWDZBQOSA-N 2 1 299.418 3.257 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000782181740 628620241 /nfs/dbraw/zinc/62/02/41/628620241.db2.gz KPAMAAQJDDRHSI-RDJZCZTQSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H](C1CC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000782181739 628620263 /nfs/dbraw/zinc/62/02/63/628620263.db2.gz KPAMAAQJDDRHSI-NVXWUHKLSA-N 2 1 272.436 3.239 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000782184415 628621924 /nfs/dbraw/zinc/62/19/24/628621924.db2.gz RWCQVSZYJSNZGO-ZDUSSCGKSA-N 2 1 295.496 3.349 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCCSC1)[NH+]1CCCC1 ZINC000783535656 628722886 /nfs/dbraw/zinc/72/28/86/628722886.db2.gz HBBWNVJKEPGGBZ-HOTGVXAUSA-N 2 1 284.513 3.372 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000788479111 629057572 /nfs/dbraw/zinc/05/75/72/629057572.db2.gz NXKLTCMBGAMNBB-QGZVFWFLSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000788482964 629058017 /nfs/dbraw/zinc/05/80/17/629058017.db2.gz ZTSNDRZNSSSHTR-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1ccncc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000793338709 629444937 /nfs/dbraw/zinc/44/49/37/629444937.db2.gz FTKVAWHYFPWLEY-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP C[C@@H]([NH3+])C[N@H+](C)CCCSc1ccccc1Cl ZINC000863567358 629606586 /nfs/dbraw/zinc/60/65/86/629606586.db2.gz BVVBKYPHSPLPRC-LLVKDONJSA-N 2 1 272.845 3.101 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+](C)CCCSc1ccccc1Cl ZINC000863567358 629606599 /nfs/dbraw/zinc/60/65/99/629606599.db2.gz BVVBKYPHSPLPRC-LLVKDONJSA-N 2 1 272.845 3.101 20 0 CGADMP C[N@H+](Cc1cncc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461147 629784209 /nfs/dbraw/zinc/78/42/09/629784209.db2.gz LCIWPPJNMAEDIF-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[N@@H+](Cc1cncc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461147 629784211 /nfs/dbraw/zinc/78/42/11/629784211.db2.gz LCIWPPJNMAEDIF-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cncc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796461147 629784214 /nfs/dbraw/zinc/78/42/14/629784214.db2.gz LCIWPPJNMAEDIF-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cncc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796461147 629784218 /nfs/dbraw/zinc/78/42/18/629784218.db2.gz LCIWPPJNMAEDIF-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP Cc1cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc2[nH]1 ZINC000797130335 629892539 /nfs/dbraw/zinc/89/25/39/629892539.db2.gz FCXPMIOULCKKQN-ALOPSCKCSA-N 2 1 283.419 3.191 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797592040 629965639 /nfs/dbraw/zinc/96/56/39/629965639.db2.gz LHOKPBUONWFCEV-DOMZBBRYSA-N 2 1 295.858 3.206 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797592040 629965641 /nfs/dbraw/zinc/96/56/41/629965641.db2.gz LHOKPBUONWFCEV-DOMZBBRYSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797592040 629965651 /nfs/dbraw/zinc/96/56/51/629965651.db2.gz LHOKPBUONWFCEV-DOMZBBRYSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797592040 629965658 /nfs/dbraw/zinc/96/56/58/629965658.db2.gz LHOKPBUONWFCEV-DOMZBBRYSA-N 2 1 295.858 3.206 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC000865417168 630113301 /nfs/dbraw/zinc/11/33/01/630113301.db2.gz AOXJUFBZXRSXME-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2C)C1 ZINC000865417322 630113730 /nfs/dbraw/zinc/11/37/30/630113730.db2.gz GQWSFJGMMHSIHR-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(Cl)c1C ZINC000865417817 630113970 /nfs/dbraw/zinc/11/39/70/630113970.db2.gz AKSGPTFQSCXENY-UHFFFAOYSA-N 2 1 277.799 3.333 20 0 CGADMP FC(F)(F)c1c[nH+]ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000865504501 630156920 /nfs/dbraw/zinc/15/69/20/630156920.db2.gz QVBFNVMOIZGBHU-SNVBAGLBSA-N 2 1 296.296 3.208 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806126830 630545578 /nfs/dbraw/zinc/54/55/78/630545578.db2.gz RVVGZEJZUNYPOK-CYBMUJFWSA-N 2 1 281.831 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC000878287365 635444738 /nfs/dbraw/zinc/44/47/38/635444738.db2.gz AHHJAERYOYRQSJ-AWEZNQCLSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC000878287365 635444744 /nfs/dbraw/zinc/44/47/44/635444744.db2.gz AHHJAERYOYRQSJ-AWEZNQCLSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1ccncc1CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000809582232 630754733 /nfs/dbraw/zinc/75/47/33/630754733.db2.gz VSORXXLRLXANJO-GOSISDBHSA-N 2 1 289.467 3.129 20 0 CGADMP Cc1ccncc1CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000809582232 630754737 /nfs/dbraw/zinc/75/47/37/630754737.db2.gz VSORXXLRLXANJO-GOSISDBHSA-N 2 1 289.467 3.129 20 0 CGADMP Cc1ccncc1CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000809582232 630754741 /nfs/dbraw/zinc/75/47/41/630754741.db2.gz VSORXXLRLXANJO-GOSISDBHSA-N 2 1 289.467 3.129 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C1CC2(C1)CCCCC2)C1CC1 ZINC000817407277 632139930 /nfs/dbraw/zinc/13/99/30/632139930.db2.gz ICQUHPITWDLSFJ-OAHLLOKOSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000817907683 632232504 /nfs/dbraw/zinc/23/25/04/632232504.db2.gz HJIQVTOWWHPJAL-YWPYICTPSA-N 2 1 266.816 3.001 20 0 CGADMP CC(C)(O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817925359 632234891 /nfs/dbraw/zinc/23/48/91/632234891.db2.gz VJGRURLZJIHJLD-MSOLQXFVSA-N 2 1 296.414 3.148 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000817957771 632251837 /nfs/dbraw/zinc/25/18/37/632251837.db2.gz DTAHWTNZLRJVND-CAOSSQGBSA-N 2 1 252.446 3.308 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)nc1 ZINC000817958725 632253905 /nfs/dbraw/zinc/25/39/05/632253905.db2.gz MAQUJJCEUDVAFL-SMDDNHRTSA-N 2 1 281.831 3.293 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000817979925 632269979 /nfs/dbraw/zinc/26/99/79/632269979.db2.gz QDJNARIWIJFYGW-KOLCDFICSA-N 2 1 274.380 3.389 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818616358 632341780 /nfs/dbraw/zinc/34/17/80/632341780.db2.gz VGESBLZLFYRFDS-NILFDRSVSA-N 2 1 250.361 3.055 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000822750079 633015206 /nfs/dbraw/zinc/01/52/06/633015206.db2.gz HKHGJWCIWZQUHM-QWRGUYRKSA-N 2 1 288.222 3.173 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000866218027 633033255 /nfs/dbraw/zinc/03/32/55/633033255.db2.gz KLKMPIYDEBKDGS-IRXDYDNUSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000866233659 633037698 /nfs/dbraw/zinc/03/76/98/633037698.db2.gz XVNGFVIZOHERJR-ZACQAIPSSA-N 2 1 289.467 3.255 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000866233659 633037704 /nfs/dbraw/zinc/03/77/04/633037704.db2.gz XVNGFVIZOHERJR-ZACQAIPSSA-N 2 1 289.467 3.255 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000866451708 633141213 /nfs/dbraw/zinc/14/12/13/633141213.db2.gz WJBRMNQTDVEDFA-JWMHWRSXSA-N 2 1 282.472 3.185 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC[N@H+]1C ZINC000866451708 633141215 /nfs/dbraw/zinc/14/12/15/633141215.db2.gz WJBRMNQTDVEDFA-JWMHWRSXSA-N 2 1 282.472 3.185 20 0 CGADMP C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C)o2)CC[N@H+]1C ZINC000866574180 633200461 /nfs/dbraw/zinc/20/04/61/633200461.db2.gz QGOWJOVRGNTBII-OLZOCXBDSA-N 2 1 264.413 3.149 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000872026274 633946171 /nfs/dbraw/zinc/94/61/71/633946171.db2.gz ZZOIPTPDPMDCTD-UPJWGTAASA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@H]1CCCOC1 ZINC000872026772 633946302 /nfs/dbraw/zinc/94/63/02/633946302.db2.gz FSDZVVVMHLKJSC-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@H]1CCCOC1 ZINC000872026772 633946306 /nfs/dbraw/zinc/94/63/06/633946306.db2.gz FSDZVVVMHLKJSC-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872033900 633952691 /nfs/dbraw/zinc/95/26/91/633952691.db2.gz JZYNFXGCKHRXFX-IRXDYDNUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872034416 633952890 /nfs/dbraw/zinc/95/28/90/633952890.db2.gz NRYATKAMHXAJOC-IXDOHACOSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCCOC1 ZINC000872053816 633976956 /nfs/dbraw/zinc/97/69/56/633976956.db2.gz WVMRALJRSNRHQU-SQNIBIBYSA-N 2 1 296.499 3.149 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ncccc23)CC1(C)C ZINC000872123237 634044986 /nfs/dbraw/zinc/04/49/86/634044986.db2.gz NMKXXLZGLUMNHG-HNNXBMFYSA-N 2 1 283.419 3.197 20 0 CGADMP COc1ccccc1C[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218028 636161106 /nfs/dbraw/zinc/16/11/06/636161106.db2.gz GQDITGUXOPUDJH-QGZVFWFLSA-N 2 1 290.451 3.221 20 0 CGADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846218616 636161123 /nfs/dbraw/zinc/16/11/23/636161123.db2.gz TZAWKTVAMAJTSL-CYBMUJFWSA-N 2 1 264.388 3.264 20 0 CGADMP Cc1csc([C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000872148733 634065999 /nfs/dbraw/zinc/06/59/99/634065999.db2.gz QNYGCRBZVZIKQI-HNNXBMFYSA-N 2 1 293.480 3.021 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C/C=C\Cl)C1)C1CCCC1 ZINC000872156454 634067711 /nfs/dbraw/zinc/06/77/11/634067711.db2.gz JXUKUDJOGHGFCF-ZTFRSORNSA-N 2 1 270.848 3.359 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872250748 634089504 /nfs/dbraw/zinc/08/95/04/634089504.db2.gz ALVQASJHLXHHNL-CQSZACIVSA-N 2 1 296.842 3.216 20 0 CGADMP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCCCC2)c(C)c1 ZINC000834616157 634198558 /nfs/dbraw/zinc/19/85/58/634198558.db2.gz LYWSAFPMZCLVGS-UHFFFAOYSA-N 2 1 260.425 3.397 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2ncccc12 ZINC000873059934 634239012 /nfs/dbraw/zinc/23/90/12/634239012.db2.gz BJKOSNZIAHCLST-UHFFFAOYSA-N 2 1 294.402 3.310 20 0 CGADMP CCOc1cccc(F)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000873131707 634252887 /nfs/dbraw/zinc/25/28/87/634252887.db2.gz XMSKJVLUPHYCDX-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@H]2C=CCC2)s1 ZINC000873153888 634260802 /nfs/dbraw/zinc/26/08/02/634260802.db2.gz KNVUSTWINHVQLQ-ZDUSSCGKSA-N 2 1 279.453 3.041 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000873223266 634290672 /nfs/dbraw/zinc/29/06/72/634290672.db2.gz KKFOWYOIDUOXCB-SFHVURJKSA-N 2 1 289.467 3.020 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1C(F)(F)F ZINC000873227143 634290954 /nfs/dbraw/zinc/29/09/54/634290954.db2.gz CIVXCMGNOUWPOV-HUUCEWRRSA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@H]1C(F)(F)F ZINC000873227143 634290958 /nfs/dbraw/zinc/29/09/58/634290958.db2.gz CIVXCMGNOUWPOV-HUUCEWRRSA-N 2 1 298.352 3.133 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000873223781 634291516 /nfs/dbraw/zinc/29/15/16/634291516.db2.gz SCUZYMVXCDQDDD-MRXNPFEDSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@@H](C[N@@H+](C)CCCCCC[NH3+])c1ccc(F)cc1 ZINC000873231606 634294634 /nfs/dbraw/zinc/29/46/34/634294634.db2.gz RXFOJAYURKMSJA-AWEZNQCLSA-N 2 1 266.404 3.380 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CSc3ccccc32)C1 ZINC000873244427 634298077 /nfs/dbraw/zinc/29/80/77/634298077.db2.gz HLNBRYMMJYCDGI-OCCSQVGLSA-N 2 1 276.449 3.201 20 0 CGADMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000873246225 634298746 /nfs/dbraw/zinc/29/87/46/634298746.db2.gz TYVJPOVHOWGUFC-OCCSQVGLSA-N 2 1 294.414 3.263 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000840809572 635055858 /nfs/dbraw/zinc/05/58/58/635055858.db2.gz TXCNDYZDPIKCJW-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000877743984 635179394 /nfs/dbraw/zinc/17/93/94/635179394.db2.gz ZDDMHGCZBDJFTM-ROUUACIJSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000877743984 635179397 /nfs/dbraw/zinc/17/93/97/635179397.db2.gz ZDDMHGCZBDJFTM-ROUUACIJSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000877743984 635179403 /nfs/dbraw/zinc/17/94/03/635179403.db2.gz ZDDMHGCZBDJFTM-ROUUACIJSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000877743984 635179407 /nfs/dbraw/zinc/17/94/07/635179407.db2.gz ZDDMHGCZBDJFTM-ROUUACIJSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743391 635180356 /nfs/dbraw/zinc/18/03/56/635180356.db2.gz VLUMOIDXUWKFQE-WJFTUGDTSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743391 635180360 /nfs/dbraw/zinc/18/03/60/635180360.db2.gz VLUMOIDXUWKFQE-WJFTUGDTSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743391 635180363 /nfs/dbraw/zinc/18/03/63/635180363.db2.gz VLUMOIDXUWKFQE-WJFTUGDTSA-N 2 1 284.447 3.206 20 0 CGADMP Cc1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)sn1 ZINC000877767374 635192801 /nfs/dbraw/zinc/19/28/01/635192801.db2.gz GLPCJBSDJMCRFY-UHFFFAOYSA-N 2 1 295.496 3.251 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2cccc(F)c2C1 ZINC000842475707 635377910 /nfs/dbraw/zinc/37/79/10/635377910.db2.gz AZTYZOLMVSMGRS-UHFFFAOYSA-N 2 1 264.388 3.093 20 0 CGADMP CCn1ccnc1[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000842476894 635379740 /nfs/dbraw/zinc/37/97/40/635379740.db2.gz VQRKRSOOFWWTRH-MRXNPFEDSA-N 2 1 292.471 3.339 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCCC2(F)F)CC1 ZINC000878164207 635387229 /nfs/dbraw/zinc/38/72/29/635387229.db2.gz BOGWCPXAULVPKA-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCCC2(F)F)CC1 ZINC000878164207 635387237 /nfs/dbraw/zinc/38/72/37/635387237.db2.gz BOGWCPXAULVPKA-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP C=C/C=C\CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411779 635495032 /nfs/dbraw/zinc/49/50/32/635495032.db2.gz NUDQYKBFSGXUGP-KSLSASGISA-N 2 1 262.441 3.361 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842925678 635512830 /nfs/dbraw/zinc/51/28/30/635512830.db2.gz ZZJIKRRPIHBWQB-YRXWBPOGSA-N 2 1 286.463 3.356 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)[C@H](c2ccccc2)C1 ZINC000842924648 635513695 /nfs/dbraw/zinc/51/36/95/635513695.db2.gz RLAQLZCVSAWYLV-AKHDSKFASA-N 2 1 284.447 3.110 20 0 CGADMP C[N@@H+](Cc1cnc(C(C)(C)C)s1)C1CCC([NH3+])CC1 ZINC000843056109 635553877 /nfs/dbraw/zinc/55/38/77/635553877.db2.gz ZLFXXVTYSRICSY-UHFFFAOYSA-N 2 1 281.469 3.142 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@H]1CCCC1(F)F)C2 ZINC000878663500 635596105 /nfs/dbraw/zinc/59/61/05/635596105.db2.gz ZYXQUDOTMVYWKQ-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000878663500 635596114 /nfs/dbraw/zinc/59/61/14/635596114.db2.gz ZYXQUDOTMVYWKQ-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000878663500 635596118 /nfs/dbraw/zinc/59/61/18/635596118.db2.gz ZYXQUDOTMVYWKQ-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000879580265 635815767 /nfs/dbraw/zinc/81/57/67/635815767.db2.gz GKCZNRLPSMFISM-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000879580265 635815769 /nfs/dbraw/zinc/81/57/69/635815769.db2.gz GKCZNRLPSMFISM-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000879580265 635815771 /nfs/dbraw/zinc/81/57/71/635815771.db2.gz GKCZNRLPSMFISM-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccccc3Cl)CC[C@@H]21 ZINC000879580265 635815772 /nfs/dbraw/zinc/81/57/72/635815772.db2.gz GKCZNRLPSMFISM-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP CCO[C@@H](C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)C1CC1 ZINC000879702993 635838806 /nfs/dbraw/zinc/83/88/06/635838806.db2.gz BTTVOARLSLLZGG-SFHVURJKSA-N 2 1 296.499 3.101 20 0 CGADMP COCCCCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702301 635839109 /nfs/dbraw/zinc/83/91/09/635839109.db2.gz JHKDRUCKPQMULF-UHFFFAOYSA-N 2 1 284.488 3.103 20 0 CGADMP CC1([NH+]2CCCCC2)CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000879952731 635886688 /nfs/dbraw/zinc/88/66/88/635886688.db2.gz ZPHTYKAMIXQDGH-UHFFFAOYSA-N 2 1 292.467 3.086 20 0 CGADMP C(C1CCCCCC1)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880204265 635936875 /nfs/dbraw/zinc/93/68/75/635936875.db2.gz SHSVNCWIOAOZQA-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880204265 635936878 /nfs/dbraw/zinc/93/68/78/635936878.db2.gz SHSVNCWIOAOZQA-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000880377495 635989325 /nfs/dbraw/zinc/98/93/25/635989325.db2.gz XNHOINAYLYYCMQ-LBPRGKRZSA-N 2 1 275.421 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccsc2[C@@H]1C ZINC000880377495 635989328 /nfs/dbraw/zinc/98/93/28/635989328.db2.gz XNHOINAYLYYCMQ-LBPRGKRZSA-N 2 1 275.421 3.262 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000880474212 636008075 /nfs/dbraw/zinc/00/80/75/636008075.db2.gz UNDKGVIEMAWUNP-MRXNPFEDSA-N 2 1 292.467 3.038 20 0 CGADMP C=C/C=C/CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517826 636013150 /nfs/dbraw/zinc/01/31/50/636013150.db2.gz XNDYYEQYLWRDAX-SNAWJCMRSA-N 2 1 250.430 3.317 20 0 CGADMP C[C@]1(c2cccc(F)c2)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846225686 636163114 /nfs/dbraw/zinc/16/31/14/636163114.db2.gz QYMQCBHSEZRGCL-KRWDZBQOSA-N 2 1 278.415 3.308 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC000846701451 636218767 /nfs/dbraw/zinc/21/87/67/636218767.db2.gz ALOPLRJCDMSQKF-ZYHUDNBSSA-N 2 1 286.391 3.313 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000846701451 636218774 /nfs/dbraw/zinc/21/87/74/636218774.db2.gz ALOPLRJCDMSQKF-ZYHUDNBSSA-N 2 1 286.391 3.313 20 0 CGADMP CC(C)c1c[nH]c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000882891881 636448788 /nfs/dbraw/zinc/44/87/88/636448788.db2.gz HHQBKXYPMITWSK-OAHLLOKOSA-N 2 1 292.471 3.135 20 0 CGADMP Nc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000882935073 636467944 /nfs/dbraw/zinc/46/79/44/636467944.db2.gz DECAUKUYLRAHRZ-UHFFFAOYSA-N 2 1 293.842 3.029 20 0 CGADMP Cc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000848987205 636706232 /nfs/dbraw/zinc/70/62/32/636706232.db2.gz MXFKJJNDARFJJC-CABCVRRESA-N 2 1 288.439 3.052 20 0 CGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041867 636728280 /nfs/dbraw/zinc/72/82/80/636728280.db2.gz YORXDIGZHFPEDC-HOTGVXAUSA-N 2 1 296.503 3.047 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000131740498 636744928 /nfs/dbraw/zinc/74/49/28/636744928.db2.gz XFDRRDQXWLPCEO-NWDGAFQWSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000131740498 636744934 /nfs/dbraw/zinc/74/49/34/636744934.db2.gz XFDRRDQXWLPCEO-NWDGAFQWSA-N 2 1 289.810 3.057 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000883423955 636750522 /nfs/dbraw/zinc/75/05/22/636750522.db2.gz ABCOHGCXMJGGSB-ZNMIVQPWSA-N 2 1 286.410 3.276 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883428588 636752516 /nfs/dbraw/zinc/75/25/16/636752516.db2.gz XWIXFKUKEOQETM-STQMWFEESA-N 2 1 260.372 3.015 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C(C)(C)O1 ZINC000883424278 636752538 /nfs/dbraw/zinc/75/25/38/636752538.db2.gz MTFLBHCCTXSMQU-BZUAXINKSA-N 2 1 294.483 3.044 20 0 CGADMP FC1(F)CCC[C@H]1CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883460352 636761633 /nfs/dbraw/zinc/76/16/33/636761633.db2.gz VEGVXEYODXNBNI-ZDUSSCGKSA-N 2 1 272.383 3.030 20 0 CGADMP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850421464 637055032 /nfs/dbraw/zinc/05/50/32/637055032.db2.gz VXWUSLBHFJREOI-WMLDXEAASA-N 2 1 288.435 3.147 20 0 CGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850421464 637055037 /nfs/dbraw/zinc/05/50/37/637055037.db2.gz VXWUSLBHFJREOI-WMLDXEAASA-N 2 1 288.435 3.147 20 0 CGADMP c1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000850541980 637114974 /nfs/dbraw/zinc/11/49/74/637114974.db2.gz FXDWJTISHNVRFT-DNVCBOLYSA-N 2 1 299.462 3.009 20 0 CGADMP Cc1coc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000885967588 637336604 /nfs/dbraw/zinc/33/66/04/637336604.db2.gz SQKUZNHQVYNXAE-SFHVURJKSA-N 2 1 298.430 3.242 20 0 CGADMP Cc1coc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000885967588 637336611 /nfs/dbraw/zinc/33/66/11/637336611.db2.gz SQKUZNHQVYNXAE-SFHVURJKSA-N 2 1 298.430 3.242 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC000886033597 637377437 /nfs/dbraw/zinc/37/74/37/637377437.db2.gz XDQPXUALHOUSSK-SIXLDLHFSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC000886033597 637377453 /nfs/dbraw/zinc/37/74/53/637377453.db2.gz XDQPXUALHOUSSK-SIXLDLHFSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC000886033597 637377457 /nfs/dbraw/zinc/37/74/57/637377457.db2.gz XDQPXUALHOUSSK-SIXLDLHFSA-N 2 1 264.457 3.227 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000886069943 637398691 /nfs/dbraw/zinc/39/86/91/637398691.db2.gz MQITZTIXCWFVMP-MXASKKJJSA-N 2 1 264.457 3.085 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000886167004 637445282 /nfs/dbraw/zinc/44/52/82/637445282.db2.gz XYHPKEGVOOKUIU-RCCFBDPRSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886505230 637545956 /nfs/dbraw/zinc/54/59/56/637545956.db2.gz QSOPZISRPMNHKA-BFYDXBDKSA-N 2 1 287.451 3.027 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886611359 637604479 /nfs/dbraw/zinc/60/44/79/637604479.db2.gz ZQAGXADJCKBQRO-XHSDSOJGSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886611359 637604487 /nfs/dbraw/zinc/60/44/87/637604487.db2.gz ZQAGXADJCKBQRO-XHSDSOJGSA-N 2 1 270.461 3.044 20 0 CGADMP COc1cccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886664733 637641152 /nfs/dbraw/zinc/64/11/52/637641152.db2.gz WIEVZGWHRZXSMI-UHFFFAOYSA-N 2 1 299.418 3.415 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000886773914 637683791 /nfs/dbraw/zinc/68/37/91/637683791.db2.gz DJHQUPDSYQBDKB-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP ClC(Cl)=CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000852749012 637706407 /nfs/dbraw/zinc/70/64/07/637706407.db2.gz GHZMNWIMCRTJBJ-NEPJUHHUSA-N 2 1 277.239 3.017 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867225 637715448 /nfs/dbraw/zinc/71/54/48/637715448.db2.gz AGCPAHPHKGLRAE-NVXWUHKLSA-N 2 1 258.409 3.213 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000854223505 638026658 /nfs/dbraw/zinc/02/66/58/638026658.db2.gz QNBWIAFLYHCUIZ-CYBMUJFWSA-N 2 1 262.397 3.007 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cccc(C)c32)CC1 ZINC000924570042 638364317 /nfs/dbraw/zinc/36/43/17/638364317.db2.gz LTLMRHXTRITRIL-INIZCTEOSA-N 2 1 258.409 3.056 20 0 CGADMP C([NH2+][C@@H](C1CCC1)C1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924649531 638382579 /nfs/dbraw/zinc/38/25/79/638382579.db2.gz PGDWLBRTHLINSH-KBXCAEBGSA-N 2 1 276.468 3.419 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccns1 ZINC000924684747 638388899 /nfs/dbraw/zinc/38/88/99/638388899.db2.gz FPBMVCPRMKLBOG-KBPBESRZSA-N 2 1 281.469 3.306 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924766278 638401398 /nfs/dbraw/zinc/40/13/98/638401398.db2.gz PAJXNCJNHNBHPQ-MHAAMQRSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924766278 638401402 /nfs/dbraw/zinc/40/14/02/638401402.db2.gz PAJXNCJNHNBHPQ-MHAAMQRSSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@@H+](CCN[C@@H](C)c1cccc(C[NH+](C)C)c1)C(C)C ZINC000924910934 638424000 /nfs/dbraw/zinc/42/40/00/638424000.db2.gz XAGLKYZDMYVGJO-INIZCTEOSA-N 2 1 291.483 3.129 20 0 CGADMP CCN(CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C(C)C ZINC000924910934 638424008 /nfs/dbraw/zinc/42/40/08/638424008.db2.gz XAGLKYZDMYVGJO-INIZCTEOSA-N 2 1 291.483 3.129 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924959903 638432268 /nfs/dbraw/zinc/43/22/68/638432268.db2.gz MRKMGGCOSRMSGB-HZMVEIRTSA-N 2 1 262.441 3.051 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)C1 ZINC000925011918 638436491 /nfs/dbraw/zinc/43/64/91/638436491.db2.gz STWWRRPBLCKDRR-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP Clc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000857087287 638456172 /nfs/dbraw/zinc/45/61/72/638456172.db2.gz RVOVHRDBRSMOTB-NEPJUHHUSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000857087287 638456176 /nfs/dbraw/zinc/45/61/76/638456176.db2.gz RVOVHRDBRSMOTB-NEPJUHHUSA-N 2 1 299.871 3.008 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000925224291 638478542 /nfs/dbraw/zinc/47/85/42/638478542.db2.gz ZFIYWTPHADIDGB-YWPYICTPSA-N 2 1 293.842 3.185 20 0 CGADMP FC(F)(F)c1ccccc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925491257 638510498 /nfs/dbraw/zinc/51/04/98/638510498.db2.gz DQRAJAQVEJEGNS-AWEZNQCLSA-N 2 1 298.352 3.122 20 0 CGADMP Fc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925498055 638512098 /nfs/dbraw/zinc/51/20/98/638512098.db2.gz BMLDXKZEICNRKM-DOTOQJQBSA-N 2 1 294.389 3.223 20 0 CGADMP CC(C)N(CC[NH2+][C@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925507422 638514292 /nfs/dbraw/zinc/51/42/92/638514292.db2.gz AJUYZYASDSBVGY-GOSISDBHSA-N 2 1 291.483 3.175 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C2CC2)cc1 ZINC000925534308 638521351 /nfs/dbraw/zinc/52/13/51/638521351.db2.gz VALUTPKEWZQJHQ-XNIJUTNWSA-N 2 1 282.431 3.032 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925553367 638527557 /nfs/dbraw/zinc/52/75/57/638527557.db2.gz PJAVLAQPDCSBGR-IXDOHACOSA-N 3 1 295.515 3.137 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cs1 ZINC000925563861 638530631 /nfs/dbraw/zinc/53/06/31/638530631.db2.gz FXTABWXZJUHYCB-CQSZACIVSA-N 2 1 293.480 3.073 20 0 CGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000925586784 638538418 /nfs/dbraw/zinc/53/84/18/638538418.db2.gz FJSGIQVSEXSYOB-KURKYZTESA-N 2 1 298.515 3.274 20 0 CGADMP c1ccc2c(CC[NH2+][C@H]3CC[NH2+]C34CCCC4)ccnc2c1 ZINC000925708733 638575031 /nfs/dbraw/zinc/57/50/31/638575031.db2.gz RUSKOUYDSOIZQI-SFHVURJKSA-N 2 1 295.430 3.042 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751914 638595972 /nfs/dbraw/zinc/59/59/72/638595972.db2.gz QXORWNBNBOGTHT-YRGRVCCFSA-N 2 1 293.480 3.175 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775537 638608892 /nfs/dbraw/zinc/60/88/92/638608892.db2.gz GZDIHHNSFGFKBS-NEPJUHHUSA-N 2 1 286.341 3.030 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(C2CC2)c1 ZINC000925777471 638610812 /nfs/dbraw/zinc/61/08/12/638610812.db2.gz PDJZJPLRWUMCHV-MLGOLLRUSA-N 2 1 294.389 3.459 20 0 CGADMP Cc1ccc(OC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858115793 638634862 /nfs/dbraw/zinc/63/48/62/638634862.db2.gz LZHHQJAMAKRKHG-HZPDHXFCSA-N 2 1 290.451 3.225 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)CC1(C)C ZINC000858183375 638651166 /nfs/dbraw/zinc/65/11/66/638651166.db2.gz CYXCAEIVWKPDIS-RYUDHWBXSA-N 2 1 293.282 3.423 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000858245877 638662671 /nfs/dbraw/zinc/66/26/71/638662671.db2.gz QNHPTSCGWIPNEV-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929687057 638940896 /nfs/dbraw/zinc/94/08/96/638940896.db2.gz JQVAPYOPYIPVBK-CQSZACIVSA-N 2 1 274.399 3.372 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929687055 638940974 /nfs/dbraw/zinc/94/09/74/638940974.db2.gz JQVAPYOPYIPVBK-AWEZNQCLSA-N 2 1 274.399 3.372 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(F)F)[C@@H](C)C1 ZINC000929998742 638967385 /nfs/dbraw/zinc/96/73/85/638967385.db2.gz GKIZSHGUYGKZQJ-STQMWFEESA-N 2 1 262.388 3.084 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1CF)CC2 ZINC000930171617 638979173 /nfs/dbraw/zinc/97/91/73/638979173.db2.gz SJFABEWDAKPRLY-UHFFFAOYSA-N 2 1 276.399 3.216 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](Cc1ccccc1CF)CC2 ZINC000930171617 638979174 /nfs/dbraw/zinc/97/91/74/638979174.db2.gz SJFABEWDAKPRLY-UHFFFAOYSA-N 2 1 276.399 3.216 20 0 CGADMP CCc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)nc1 ZINC000859212075 639110767 /nfs/dbraw/zinc/11/07/67/639110767.db2.gz DKZSNSZQVQMIOS-UHFFFAOYSA-N 2 1 297.446 3.338 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2CC=CC2)cc1 ZINC000859213500 639110842 /nfs/dbraw/zinc/11/08/42/639110842.db2.gz OSZZMAYBMGYBRA-UHFFFAOYSA-N 2 1 258.409 3.146 20 0 CGADMP C[C@H](CCc1ccccc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308400 639133685 /nfs/dbraw/zinc/13/36/85/639133685.db2.gz TUFDRFVGOCTUCA-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308400 639133689 /nfs/dbraw/zinc/13/36/89/639133689.db2.gz TUFDRFVGOCTUCA-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931308400 639133694 /nfs/dbraw/zinc/13/36/94/639133694.db2.gz TUFDRFVGOCTUCA-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931308400 639133698 /nfs/dbraw/zinc/13/36/98/639133698.db2.gz TUFDRFVGOCTUCA-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP Nc1cc[nH+]c2c1C[N@@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC000931511925 639162930 /nfs/dbraw/zinc/16/29/30/639162930.db2.gz DFNYTNJPOKCZNT-GOSISDBHSA-N 2 1 279.387 3.100 20 0 CGADMP Nc1cc[nH+]c2c1C[N@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC000931511925 639162931 /nfs/dbraw/zinc/16/29/31/639162931.db2.gz DFNYTNJPOKCZNT-GOSISDBHSA-N 2 1 279.387 3.100 20 0 CGADMP COC[C@H](C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)C(C)C ZINC000931747980 639200577 /nfs/dbraw/zinc/20/05/77/639200577.db2.gz FNTABEOWVPYFMW-INIZCTEOSA-N 2 1 293.455 3.125 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccn1)CC(C)C ZINC000932445781 639332772 /nfs/dbraw/zinc/33/27/72/639332772.db2.gz JJQQMVFLNVEWOP-UHFFFAOYSA-N 2 1 286.423 3.135 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccn1)CC(C)C ZINC000932445781 639332775 /nfs/dbraw/zinc/33/27/75/639332775.db2.gz JJQQMVFLNVEWOP-UHFFFAOYSA-N 2 1 286.423 3.135 20 0 CGADMP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)C1CCC([NH3+])CC1 ZINC000091844202 640723084 /nfs/dbraw/zinc/72/30/84/640723084.db2.gz NXIJJDGKVMWMKB-UHFFFAOYSA-N 2 1 288.435 3.102 20 0 CGADMP CSCc1ccnc(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001156385648 805681244 /nfs/dbraw/zinc/68/12/44/805681244.db2.gz IEUZRMALFDFKGO-ZDUSSCGKSA-N 2 1 279.453 3.088 20 0 CGADMP COc1ccc2c[nH+]c(NCC[C@@H]3CCC[N@H+](C)C3)cc2c1 ZINC001156389973 805683558 /nfs/dbraw/zinc/68/35/58/805683558.db2.gz SYEPODIJILTJIK-AWEZNQCLSA-N 2 1 299.418 3.387 20 0 CGADMP COc1ccc2c[nH+]c(NCC[C@@H]3CCC[N@@H+](C)C3)cc2c1 ZINC001156389973 805683562 /nfs/dbraw/zinc/68/35/62/805683562.db2.gz SYEPODIJILTJIK-AWEZNQCLSA-N 2 1 299.418 3.387 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CCC[C@@](C)(C[NH3+])C3)c12 ZINC001158684574 805985235 /nfs/dbraw/zinc/98/52/35/805985235.db2.gz QXJAJKTXJHPAPL-KRWDZBQOSA-N 2 1 269.392 3.108 20 0 CGADMP Cc1[nH+]c2c(Nc3ccc4c(c3)C[NH2+]C4)cccn2c1C ZINC001159397111 806094997 /nfs/dbraw/zinc/09/49/97/806094997.db2.gz PTPJWQXVKGGENY-UHFFFAOYSA-N 2 1 278.359 3.298 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCC[C@H]1CCC[N@H+]1C ZINC001160964352 806331595 /nfs/dbraw/zinc/33/15/95/806331595.db2.gz MNQPDVCFQZTKAB-CQSZACIVSA-N 2 1 269.392 3.439 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCC[C@H]1CCC[N@@H+]1C ZINC001160964352 806331603 /nfs/dbraw/zinc/33/16/03/806331603.db2.gz MNQPDVCFQZTKAB-CQSZACIVSA-N 2 1 269.392 3.439 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC001254185164 806360220 /nfs/dbraw/zinc/36/02/20/806360220.db2.gz WDLMSBUEQKNFBR-ZACQAIPSSA-N 2 1 296.499 3.148 20 0 CGADMP COCCC1(CNc2ccc(C(C)C)c[nH+]2)CC[NH2+]CC1 ZINC001161503423 806385252 /nfs/dbraw/zinc/38/52/52/806385252.db2.gz IFTHREOHUFVQTB-UHFFFAOYSA-N 2 1 291.439 3.023 20 0 CGADMP C[N@H+]1CCC[C@@H](n2cc(CCC[NH3+])c3ccccc32)CC1 ZINC001254500816 806420955 /nfs/dbraw/zinc/42/09/55/806420955.db2.gz LERWXHNCAUVGJU-MRXNPFEDSA-N 2 1 285.435 3.189 20 0 CGADMP C[C@@H]([NH3+])c1ccc2c(ccn2[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254500011 806421083 /nfs/dbraw/zinc/42/10/83/806421083.db2.gz RVKUPGZKCZQGKZ-CZUORRHYSA-N 2 1 271.408 3.318 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C2CC2)cc1 ZINC001254506219 806424887 /nfs/dbraw/zinc/42/48/87/806424887.db2.gz PJJHXRGDBSSRBG-FUHWJXTLSA-N 2 1 288.435 3.220 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1cc(F)ccc1F ZINC001254505858 806425299 /nfs/dbraw/zinc/42/52/99/806425299.db2.gz KBVHDPFTBJZCFW-BBRMVZONSA-N 2 1 282.378 3.490 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC001254505858 806425306 /nfs/dbraw/zinc/42/53/06/806425306.db2.gz KBVHDPFTBJZCFW-BBRMVZONSA-N 2 1 282.378 3.490 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1cccc(F)c1F ZINC001254510341 806430715 /nfs/dbraw/zinc/43/07/15/806430715.db2.gz MWGMAYVUNQGMTP-NEPJUHHUSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1F ZINC001254510341 806430721 /nfs/dbraw/zinc/43/07/21/806430721.db2.gz MWGMAYVUNQGMTP-NEPJUHHUSA-N 2 1 268.351 3.100 20 0 CGADMP Cc1cc[nH+]c2cc(NCCCC[NH+](C)C)ccc12 ZINC001161730575 806438985 /nfs/dbraw/zinc/43/89/85/806438985.db2.gz KJEVKIJVLOZBHB-UHFFFAOYSA-N 2 1 257.381 3.297 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@@H]1CCC[NH+](C)CC1 ZINC001254527416 806443041 /nfs/dbraw/zinc/44/30/41/806443041.db2.gz XZLAZVAKGMADJD-OAHLLOKOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@@H]1CCC[NH+](C)CC1 ZINC001254527416 806443048 /nfs/dbraw/zinc/44/30/48/806443048.db2.gz XZLAZVAKGMADJD-OAHLLOKOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1ccccc1F)[C@@H]1CCC[N@H+](C)CC1 ZINC001254527416 806443050 /nfs/dbraw/zinc/44/30/50/806443050.db2.gz XZLAZVAKGMADJD-OAHLLOKOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1ccccc1F)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254527416 806443056 /nfs/dbraw/zinc/44/30/56/806443056.db2.gz XZLAZVAKGMADJD-OAHLLOKOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254532295 806444854 /nfs/dbraw/zinc/44/48/54/806444854.db2.gz RSYTZMPVAFBLJJ-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP CC[NH+](CCc1ccc(OC)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254532295 806444862 /nfs/dbraw/zinc/44/48/62/806444862.db2.gz RSYTZMPVAFBLJJ-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP CC[NH+](CCc1ccc(OC)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254532295 806444865 /nfs/dbraw/zinc/44/48/65/806444865.db2.gz RSYTZMPVAFBLJJ-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP FC(F)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001161813545 806461536 /nfs/dbraw/zinc/46/15/36/806461536.db2.gz LQQRFOMJCWZPQI-GFCCVEGCSA-N 2 1 294.349 3.028 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C24CC(C2)C4)C3)cc1 ZINC001255121828 806548114 /nfs/dbraw/zinc/54/81/14/806548114.db2.gz HSMADFCDYBQDRI-LHNANPHGSA-N 2 1 282.431 3.324 20 0 CGADMP [NH3+]Cc1cccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123580 806548221 /nfs/dbraw/zinc/54/82/21/806548221.db2.gz DEDVIIOBXGEVLV-IZZQQSIFSA-N 2 1 295.430 3.315 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001162524769 806609867 /nfs/dbraw/zinc/60/98/67/806609867.db2.gz HWSBSXMSHWKTAE-ZIAGYGMSSA-N 2 1 298.434 3.259 20 0 CGADMP CC[NH+](CC)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397355 806632629 /nfs/dbraw/zinc/63/26/29/806632629.db2.gz FPAGWQXPLKSGRM-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162680637 806646648 /nfs/dbraw/zinc/64/66/48/806646648.db2.gz ODGHUNLKVWLFSZ-RHSMWYFYSA-N 2 1 273.424 3.148 20 0 CGADMP CCC[N@@H+](CCC[NH3+])C1CCC(C(F)(F)F)CC1 ZINC001255506702 806656112 /nfs/dbraw/zinc/65/61/12/806656112.db2.gz AUZOEVXVNONOOY-UHFFFAOYSA-N 2 1 266.351 3.168 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001255669224 806699721 /nfs/dbraw/zinc/69/97/21/806699721.db2.gz SINUXNKMGOWLML-HMQMGEFJSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001255669224 806699727 /nfs/dbraw/zinc/69/97/27/806699727.db2.gz SINUXNKMGOWLML-HMQMGEFJSA-N 2 1 273.424 3.138 20 0 CGADMP Cc1ccnc(C2(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001255672376 806701761 /nfs/dbraw/zinc/70/17/61/806701761.db2.gz DNFUGNCCRJOQRE-ALOPSCKCSA-N 2 1 299.462 3.027 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000086890116 798945856 /nfs/dbraw/zinc/94/58/56/798945856.db2.gz CJYYRPVLIMWLLV-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000086890116 798945861 /nfs/dbraw/zinc/94/58/61/798945861.db2.gz CJYYRPVLIMWLLV-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+](Cc1ccc(Cl)nc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680585 806703817 /nfs/dbraw/zinc/70/38/17/806703817.db2.gz ARSDCILSCGDMIX-YIONKMFJSA-N 2 1 293.842 3.182 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)nc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680585 806703823 /nfs/dbraw/zinc/70/38/23/806703823.db2.gz ARSDCILSCGDMIX-YIONKMFJSA-N 2 1 293.842 3.182 20 0 CGADMP C[NH+](Cc1ccc(Cl)nc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680585 806703827 /nfs/dbraw/zinc/70/38/27/806703827.db2.gz ARSDCILSCGDMIX-YIONKMFJSA-N 2 1 293.842 3.182 20 0 CGADMP C[NH+](Cc1ccc(Cl)nc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680585 806703829 /nfs/dbraw/zinc/70/38/29/806703829.db2.gz ARSDCILSCGDMIX-YIONKMFJSA-N 2 1 293.842 3.182 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255720709 806719147 /nfs/dbraw/zinc/71/91/47/806719147.db2.gz HFEHMRYKKJXBIM-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000300242795 799203292 /nfs/dbraw/zinc/20/32/92/799203292.db2.gz FVINJDXICKHCQP-BXUZGUMPSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000300242795 799203295 /nfs/dbraw/zinc/20/32/95/799203295.db2.gz FVINJDXICKHCQP-BXUZGUMPSA-N 2 1 266.816 3.065 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001255727455 806721987 /nfs/dbraw/zinc/72/19/87/806721987.db2.gz DZGQQDBIXQGTSZ-UKRRQHHQSA-N 2 1 296.455 3.380 20 0 CGADMP C[C@@]1(C[NH2+]Cc2ccoc2)CC[N@H+](Cc2ccccc2)C1 ZINC000380956268 799369542 /nfs/dbraw/zinc/36/95/42/799369542.db2.gz USQPKAXOAKZZHU-SFHVURJKSA-N 2 1 284.403 3.281 20 0 CGADMP C[C@@]1(C[NH2+]Cc2ccoc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380956268 799369548 /nfs/dbraw/zinc/36/95/48/799369548.db2.gz USQPKAXOAKZZHU-SFHVURJKSA-N 2 1 284.403 3.281 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000381150482 799373073 /nfs/dbraw/zinc/37/30/73/799373073.db2.gz AEZCSPKCIXFGOG-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP CCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC(C)C ZINC000382265594 799394950 /nfs/dbraw/zinc/39/49/50/799394950.db2.gz AWYOQVDUFSUZNP-UHFFFAOYSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255775322 806745835 /nfs/dbraw/zinc/74/58/35/806745835.db2.gz VCQHOAUVONHFOB-NRSFXHEJSA-N 2 1 272.436 3.141 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccccc2Br)C1 ZINC000383563165 799404533 /nfs/dbraw/zinc/40/45/33/799404533.db2.gz AJVZXNDULTWRJP-GFCCVEGCSA-N 2 1 297.240 3.010 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2Br)C1 ZINC000383563165 799404539 /nfs/dbraw/zinc/40/45/39/799404539.db2.gz AJVZXNDULTWRJP-GFCCVEGCSA-N 2 1 297.240 3.010 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000385199273 799423858 /nfs/dbraw/zinc/42/38/58/799423858.db2.gz QKILXOPNXIOSCT-INIZCTEOSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000385199273 799423860 /nfs/dbraw/zinc/42/38/60/799423860.db2.gz QKILXOPNXIOSCT-INIZCTEOSA-N 2 1 280.415 3.395 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[NH+](C)C ZINC000403670872 799569887 /nfs/dbraw/zinc/56/98/87/799569887.db2.gz OCAXOMADKSTFKW-WTXIUTQJSA-N 2 1 284.513 3.369 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3F)C[C@H]2C1 ZINC001255857779 806771468 /nfs/dbraw/zinc/77/14/68/806771468.db2.gz RWEBPACDPDPTHG-DJIMGWMZSA-N 2 1 290.426 3.030 20 0 CGADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CCCC1 ZINC000687969688 799743218 /nfs/dbraw/zinc/74/32/18/799743218.db2.gz VWUGXSPGMJAMFB-UHFFFAOYSA-N 2 1 264.438 3.016 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000690739709 799778437 /nfs/dbraw/zinc/77/84/37/799778437.db2.gz KURXSUBVLMUTKN-GFCCVEGCSA-N 2 1 260.406 3.072 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699292266 799859598 /nfs/dbraw/zinc/85/95/98/799859598.db2.gz NKVGJAXFYVKLNY-RLAWYHOSSA-N 2 1 264.438 3.272 20 0 CGADMP C[C@@H]1CCCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703269963 799921817 /nfs/dbraw/zinc/92/18/17/799921817.db2.gz PLGZOLLETOGMRX-WZYMTQMTSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC001255945433 806792236 /nfs/dbraw/zinc/79/22/36/806792236.db2.gz FQZTZHRNCRQKAJ-CJNGLKHVSA-N 2 1 298.858 3.083 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000708860943 799998000 /nfs/dbraw/zinc/99/80/00/799998000.db2.gz NGSXPOGZNWYKSL-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(c2cccc(OC)c2)CC1 ZINC001255954304 806797036 /nfs/dbraw/zinc/79/70/36/806797036.db2.gz TUCQJOVHARHGFC-OAHLLOKOSA-N 2 1 290.451 3.394 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001255963332 806800731 /nfs/dbraw/zinc/80/07/31/806800731.db2.gz FRTAOOWGMKCVMO-SJLPKXTDSA-N 2 1 289.467 3.209 20 0 CGADMP C[N@H+]1CCN(c2cc3[nH]ccc3c[nH+]2)[C@@H](c2ccccc2)C1 ZINC001163668959 806797861 /nfs/dbraw/zinc/79/78/61/806797861.db2.gz GVVYOQWQJFDFOO-QGZVFWFLSA-N 2 1 292.386 3.056 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001255968728 806801739 /nfs/dbraw/zinc/80/17/39/806801739.db2.gz GLIVTXLBFXKMMB-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001255968728 806801748 /nfs/dbraw/zinc/80/17/48/806801748.db2.gz GLIVTXLBFXKMMB-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001255968730 806802016 /nfs/dbraw/zinc/80/20/16/806802016.db2.gz GLIVTXLBFXKMMB-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001255968730 806802025 /nfs/dbraw/zinc/80/20/25/806802025.db2.gz GLIVTXLBFXKMMB-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001255965282 806802738 /nfs/dbraw/zinc/80/27/38/806802738.db2.gz ZJFVOTPHLSOOEO-IAGOWNOFSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001255965282 806802744 /nfs/dbraw/zinc/80/27/44/806802744.db2.gz ZJFVOTPHLSOOEO-IAGOWNOFSA-N 2 1 289.467 3.381 20 0 CGADMP C=C/C=C\CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000713678830 800113802 /nfs/dbraw/zinc/11/38/02/800113802.db2.gz MJJWUIRLCKOXSU-ARJAWSKDSA-N 2 1 270.420 3.373 20 0 CGADMP Fc1c(Cl)cccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256072025 806810359 /nfs/dbraw/zinc/81/03/59/806810359.db2.gz VQJGYVUHAIWDSP-UHFFFAOYSA-N 2 1 296.817 3.238 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256071781 806810567 /nfs/dbraw/zinc/81/05/67/806810567.db2.gz OWAONXAJMKQLIA-SFHVURJKSA-N 2 1 285.435 3.058 20 0 CGADMP CC(F)(F)CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000718594383 800218597 /nfs/dbraw/zinc/21/85/97/800218597.db2.gz XUSOYOFJECRNQO-STQMWFEESA-N 2 1 260.372 3.028 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000718594383 800218601 /nfs/dbraw/zinc/21/86/01/800218601.db2.gz XUSOYOFJECRNQO-STQMWFEESA-N 2 1 260.372 3.028 20 0 CGADMP CC1(C)C[N@H+](C2CCN(C3CC3)CC2)Cc2ccccc21 ZINC001256081164 806816384 /nfs/dbraw/zinc/81/63/84/806816384.db2.gz QPZIRQWULPGJJK-UHFFFAOYSA-N 2 1 284.447 3.407 20 0 CGADMP CC1(C)CN(C2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC001256081164 806816389 /nfs/dbraw/zinc/81/63/89/806816389.db2.gz QPZIRQWULPGJJK-UHFFFAOYSA-N 2 1 284.447 3.407 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720873159 800269730 /nfs/dbraw/zinc/26/97/30/800269730.db2.gz SNFBNGWNXDWWPF-MGPQQGTHSA-N 2 1 286.341 3.207 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC000720890926 800270460 /nfs/dbraw/zinc/27/04/60/800270460.db2.gz XQPXABVUUSJMDD-KBPBESRZSA-N 2 1 292.389 3.416 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723927491 800344237 /nfs/dbraw/zinc/34/42/37/800344237.db2.gz WKWRROATQASHSC-XPKDYRNWSA-N 2 1 264.388 3.194 20 0 CGADMP CC(C)C[N@@H+]([C@H](C)Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256408164 806886328 /nfs/dbraw/zinc/88/63/28/806886328.db2.gz VOPQRXLPPLRPJE-JFIYKMOQSA-N 2 1 289.467 3.241 20 0 CGADMP CC(C)[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537834 806913486 /nfs/dbraw/zinc/91/34/86/806913486.db2.gz PEAFFCNSPONPLK-DOTOQJQBSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537834 806913490 /nfs/dbraw/zinc/91/34/90/806913490.db2.gz PEAFFCNSPONPLK-DOTOQJQBSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537834 806913494 /nfs/dbraw/zinc/91/34/94/806913494.db2.gz PEAFFCNSPONPLK-DOTOQJQBSA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256537834 806913500 /nfs/dbraw/zinc/91/35/00/806913500.db2.gz PEAFFCNSPONPLK-DOTOQJQBSA-N 2 1 260.425 3.380 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccnc1 ZINC001256562434 806916533 /nfs/dbraw/zinc/91/65/33/806916533.db2.gz UHHKTCZWPIHVLQ-INIZCTEOSA-N 2 1 275.440 3.385 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccn1 ZINC001256562260 806916651 /nfs/dbraw/zinc/91/66/51/806916651.db2.gz PAYXDPYBHXOKDH-OAHLLOKOSA-N 2 1 275.440 3.385 20 0 CGADMP c1ccc(CN2CCC([N@H+]3CCCC34CC4)CC2)cc1 ZINC001256604750 806923752 /nfs/dbraw/zinc/92/37/52/806923752.db2.gz VZDBLZDEVORDPR-UHFFFAOYSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@H+]1C1CCN(Cc2ccccc2)CC1 ZINC001256604218 806924057 /nfs/dbraw/zinc/92/40/57/806924057.db2.gz NCLTUNAZIISRGA-ZBFHGGJFSA-N 2 1 276.399 3.083 20 0 CGADMP C[C@@H]1C[C@H](F)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604218 806924063 /nfs/dbraw/zinc/92/40/63/806924063.db2.gz NCLTUNAZIISRGA-ZBFHGGJFSA-N 2 1 276.399 3.083 20 0 CGADMP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)nc1 ZINC001256621678 806928838 /nfs/dbraw/zinc/92/88/38/806928838.db2.gz ZEDKIPWBNGPLDO-YCXXCVGLSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001256621678 806928843 /nfs/dbraw/zinc/92/88/43/806928843.db2.gz ZEDKIPWBNGPLDO-YCXXCVGLSA-N 2 1 285.435 3.056 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(N(C)C)c1 ZINC001256621162 806928962 /nfs/dbraw/zinc/92/89/62/806928962.db2.gz LHWLJIMTWUQKSE-ZVRJUHEZSA-N 2 1 287.451 3.028 20 0 CGADMP C[NH2+]Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(C)cc12 ZINC001256629094 806932655 /nfs/dbraw/zinc/93/26/55/806932655.db2.gz XMQMOFUOWHJAQK-SJPCQFCGSA-N 2 1 297.446 3.467 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@H](C[NH3+])CC[C@@H]1C ZINC001164467262 806951656 /nfs/dbraw/zinc/95/16/56/806951656.db2.gz FWNCREFWIRZUEM-KBPBESRZSA-N 2 1 269.392 3.107 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001257486569 807180733 /nfs/dbraw/zinc/18/07/33/807180733.db2.gz YAFPLECJSAIJNI-LSDHHAIUSA-N 2 1 263.429 3.346 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001257486569 807180736 /nfs/dbraw/zinc/18/07/36/807180736.db2.gz YAFPLECJSAIJNI-LSDHHAIUSA-N 2 1 263.429 3.346 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC001116291234 802325360 /nfs/dbraw/zinc/32/53/60/802325360.db2.gz LPKKXHGQTNWEQI-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001116430571 802347855 /nfs/dbraw/zinc/34/78/55/802347855.db2.gz DWAZNRXMEWGPDL-KRWDZBQOSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001116430571 802347864 /nfs/dbraw/zinc/34/78/64/802347864.db2.gz DWAZNRXMEWGPDL-KRWDZBQOSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1cc(N[C@H]2CC[C@@H]2C2CC2)ccc1N1CCN(C)CC1 ZINC001117620863 802471670 /nfs/dbraw/zinc/47/16/70/802471670.db2.gz YUCJDEQWVPQBAT-MSOLQXFVSA-N 2 1 299.462 3.347 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC001118121927 802527003 /nfs/dbraw/zinc/52/70/03/802527003.db2.gz KYOQZCABBTZIMR-NHCYSSNCSA-N 2 1 270.467 3.261 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC001118122727 802527086 /nfs/dbraw/zinc/52/70/86/802527086.db2.gz ZRKDJHHYJPONEV-STQMWFEESA-N 2 1 260.381 3.390 20 0 CGADMP CCC1CCC([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001256874542 806997586 /nfs/dbraw/zinc/99/75/86/806997586.db2.gz FPJPQUDUUKHNHW-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CCSc1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206812215 813443610 /nfs/dbraw/zinc/44/36/10/813443610.db2.gz YFAHOHBDPCYBRQ-UONOGXRCSA-N 2 1 278.465 3.358 20 0 CGADMP CC(C)Oc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1F ZINC001206812247 813443683 /nfs/dbraw/zinc/44/36/83/813443683.db2.gz YRWQESSCEKOUMY-UKRRQHHQSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1F ZINC001206812247 813443688 /nfs/dbraw/zinc/44/36/88/813443688.db2.gz YRWQESSCEKOUMY-UKRRQHHQSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC1(F)F ZINC001208184135 813735727 /nfs/dbraw/zinc/73/57/27/813735727.db2.gz JWWIIXFDUZOTHX-CQSZACIVSA-N 2 1 288.426 3.476 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)C[C@H]2CC2(C)C)CCCC1 ZINC001208185559 813736226 /nfs/dbraw/zinc/73/62/26/813736226.db2.gz FSKZCWXSUBXQIB-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cc(C)ccc34)C[C@@H]2C1 ZINC001136975702 803665654 /nfs/dbraw/zinc/66/56/54/803665654.db2.gz OPXJRMNGQYSZPI-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4cc(C)ccc34)C[C@@H]2C1 ZINC001136975702 803665658 /nfs/dbraw/zinc/66/56/58/803665658.db2.gz OPXJRMNGQYSZPI-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1[nH]nc2c1cccc2C ZINC001137150557 803689328 /nfs/dbraw/zinc/68/93/28/803689328.db2.gz MCGLGYGHJGGRJU-UHFFFAOYSA-N 2 1 288.439 3.035 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1Cl ZINC001138029026 803831953 /nfs/dbraw/zinc/83/19/53/803831953.db2.gz CKBJMRJJMXHFAV-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP Cc1ccc(Cl)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001138034944 803837188 /nfs/dbraw/zinc/83/71/88/803837188.db2.gz AUWQDQNOLLFEMJ-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP Cc1c2ccccc2[nH]c1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001138400180 803916877 /nfs/dbraw/zinc/91/68/77/803916877.db2.gz MWJVSGQNGJEDRF-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001138400180 803916885 /nfs/dbraw/zinc/91/68/85/803916885.db2.gz MWJVSGQNGJEDRF-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001138400180 803916888 /nfs/dbraw/zinc/91/68/88/803916888.db2.gz MWJVSGQNGJEDRF-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1[nH]c2ccc(F)cc2c1C ZINC001138414534 803923699 /nfs/dbraw/zinc/92/36/99/803923699.db2.gz GESAKMBKZODYEA-UHFFFAOYSA-N 2 1 291.414 3.389 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1[nH]c2ccc(F)cc2c1C ZINC001138414534 803923703 /nfs/dbraw/zinc/92/37/03/803923703.db2.gz GESAKMBKZODYEA-UHFFFAOYSA-N 2 1 291.414 3.389 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)s1 ZINC001138529546 803962443 /nfs/dbraw/zinc/96/24/43/803962443.db2.gz UGNJKAXZCYUTCP-ZIAGYGMSSA-N 2 1 278.465 3.084 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC3(CC3)C2)cc1 ZINC001138544661 803965186 /nfs/dbraw/zinc/96/51/86/803965186.db2.gz MGUZUCLEWAMNKQ-UHFFFAOYSA-N 2 1 267.376 3.167 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC3(CC3)C2)cc1 ZINC001138544661 803965190 /nfs/dbraw/zinc/96/51/90/803965190.db2.gz MGUZUCLEWAMNKQ-UHFFFAOYSA-N 2 1 267.376 3.167 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)s1 ZINC001138753373 804030166 /nfs/dbraw/zinc/03/01/66/804030166.db2.gz PRHZZDJAJYEYDC-CABCVRRESA-N 2 1 292.492 3.474 20 0 CGADMP CCC[C@H](O)C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246065177 804106351 /nfs/dbraw/zinc/10/63/51/804106351.db2.gz HKLNCLGRSQUKHE-BZSNNMDCSA-N 2 1 296.499 3.300 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2cc(F)cc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246076096 804113602 /nfs/dbraw/zinc/11/36/02/804113602.db2.gz WEZYRYKFLZBYEF-GJZGRUSLSA-N 2 1 282.378 3.364 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC001246084752 804120270 /nfs/dbraw/zinc/12/02/70/804120270.db2.gz GNONAUUYULBZMK-IUODEOHRSA-N 2 1 284.806 3.345 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246091379 804123676 /nfs/dbraw/zinc/12/36/76/804123676.db2.gz PTNVSAXHKKEGAH-VXGBXAGGSA-N 2 1 284.806 3.142 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2ccc(F)c(F)c2)C[C@@H](CC)[NH2+]1 ZINC001246092332 804124421 /nfs/dbraw/zinc/12/44/21/804124421.db2.gz AERLAZYDWRZHCK-CHWSQXEVSA-N 2 1 282.378 3.364 20 0 CGADMP CCn1ccc2ccc(C[NH+]3C[C@H]4C[NH+](CC)C[C@@H]4C3)cc21 ZINC001139119940 804131873 /nfs/dbraw/zinc/13/18/73/804131873.db2.gz GHCCBFAEZJBTSB-QZTJIDSGSA-N 2 1 297.446 3.045 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246099013 804132168 /nfs/dbraw/zinc/13/21/68/804132168.db2.gz USIMEVYNEQAQKZ-SJORKVTESA-N 2 1 260.425 3.130 20 0 CGADMP C[C@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246100447 804133661 /nfs/dbraw/zinc/13/36/61/804133661.db2.gz DBOVXHMRFKHMEU-DDHOLCJHSA-N 2 1 299.245 3.191 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[NH2+][C@H]3CC[NH2+]C3)ccc2c1 ZINC001246117606 804150102 /nfs/dbraw/zinc/15/01/02/804150102.db2.gz RJAJCTSADNWKJO-KSSFIOAISA-N 2 1 298.430 3.121 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C[NH2+]1 ZINC001246121932 804153418 /nfs/dbraw/zinc/15/34/18/804153418.db2.gz CNJILAQOVDWSQM-HIFRSBDPSA-N 2 1 250.430 3.220 20 0 CGADMP CCCC[N@@H+](CC)CCNC1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246161383 804177156 /nfs/dbraw/zinc/17/71/56/804177156.db2.gz KYYFXZLZNMDGDH-HOTGVXAUSA-N 2 1 283.504 3.007 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246163536 804181402 /nfs/dbraw/zinc/18/14/02/804181402.db2.gz YWRGWNMDIXODDX-UHFFFAOYSA-N 3 1 295.515 3.010 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246163536 804181408 /nfs/dbraw/zinc/18/14/08/804181408.db2.gz YWRGWNMDIXODDX-UHFFFAOYSA-N 3 1 295.515 3.010 20 0 CGADMP CCC[C@@H](Cc1ccccc1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001246186440 804197012 /nfs/dbraw/zinc/19/70/12/804197012.db2.gz XLAUCCMEPTVFKT-DLBZAZTESA-N 2 1 278.415 3.079 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246186440 804197015 /nfs/dbraw/zinc/19/70/15/804197015.db2.gz XLAUCCMEPTVFKT-DLBZAZTESA-N 2 1 278.415 3.079 20 0 CGADMP CCCC[C@H]1C[C@H](NCCC[N@@H+](C)CCCC)CC[NH2+]1 ZINC001246185310 804197110 /nfs/dbraw/zinc/19/71/10/804197110.db2.gz UBZXTCNBCSBXMI-DLBZAZTESA-N 3 1 283.504 3.009 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246189502 804199782 /nfs/dbraw/zinc/19/97/82/804199782.db2.gz NASSTUXKLDXSDX-ABAIWWIYSA-N 2 1 284.806 3.142 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[NH2+][C@H](C)C[NH3+])ccc2c1 ZINC001246198856 804205793 /nfs/dbraw/zinc/20/57/93/804205793.db2.gz GXVBOQOGKRUGHZ-UONOGXRCSA-N 2 1 286.419 3.106 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246212315 804210752 /nfs/dbraw/zinc/21/07/52/804210752.db2.gz NMYKCGMBCYLPST-JWTNVVGKSA-N 3 1 295.515 3.151 20 0 CGADMP CC[C@@H](CC(C)C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246223024 804218035 /nfs/dbraw/zinc/21/80/35/804218035.db2.gz UKEJZRUDHJTXLW-STQMWFEESA-N 2 1 262.388 3.036 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246229056 804222493 /nfs/dbraw/zinc/22/24/93/804222493.db2.gz ZLLFUQJEAMDRMY-JOYOIKCWSA-N 2 1 290.304 3.075 20 0 CGADMP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1C(C)C ZINC001139616930 804230259 /nfs/dbraw/zinc/23/02/59/804230259.db2.gz URRHHLXQFQNCHS-UHFFFAOYSA-N 2 1 278.440 3.202 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1C(C)C ZINC001139616930 804230264 /nfs/dbraw/zinc/23/02/64/804230264.db2.gz URRHHLXQFQNCHS-UHFFFAOYSA-N 2 1 278.440 3.202 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)C[C@H](C)[NH2+]1 ZINC001246238465 804230946 /nfs/dbraw/zinc/23/09/46/804230946.db2.gz PRJVABWJXJQXTR-JJLQDPRZSA-N 2 1 278.827 3.448 20 0 CGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+]C1CCCCCCC1 ZINC001246262313 804243914 /nfs/dbraw/zinc/24/39/14/804243914.db2.gz ANNCENKYLHJBBD-QGZVFWFLSA-N 2 1 260.425 3.259 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC[NH2+]1 ZINC001246309140 804271768 /nfs/dbraw/zinc/27/17/68/804271768.db2.gz UMCWXLIOLULPAE-NORZTCDRSA-N 2 1 262.372 3.007 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001246323697 804280967 /nfs/dbraw/zinc/28/09/67/804280967.db2.gz DNEJOSVFNWFKSQ-FIXISWKDSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246323697 804280974 /nfs/dbraw/zinc/28/09/74/804280974.db2.gz DNEJOSVFNWFKSQ-FIXISWKDSA-N 2 1 284.806 3.140 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246325366 804282855 /nfs/dbraw/zinc/28/28/55/804282855.db2.gz JUWUKFKKIMRASI-YMAMQOFZSA-N 2 1 252.446 3.179 20 0 CGADMP C[N@H+](Cc1ccccc1C(F)F)CC1CC[NH+](C)CC1 ZINC001139800862 804285729 /nfs/dbraw/zinc/28/57/29/804285729.db2.gz DTFSLKIRZQMBFY-UHFFFAOYSA-N 2 1 282.378 3.398 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)C[NH2+]1 ZINC001246336994 804291863 /nfs/dbraw/zinc/29/18/63/804291863.db2.gz RVQDOZJBWQBJKH-PDCGBLAGSA-N 2 1 276.468 3.466 20 0 CGADMP CCCCCCOC(=O)CCCCC[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246342493 804295054 /nfs/dbraw/zinc/29/50/54/804295054.db2.gz PNJRRCSSQOAKSZ-HZPDHXFCSA-N 2 1 298.471 3.010 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246356350 804302229 /nfs/dbraw/zinc/30/22/29/804302229.db2.gz NKHWXFIKTJNAQS-MRXNPFEDSA-N 2 1 260.425 3.259 20 0 CGADMP CCCC[C@H]1C[C@H](N[C@H]2CC[N@H+](C(CC)CC)C2)CC[NH2+]1 ZINC001246360206 804303828 /nfs/dbraw/zinc/30/38/28/804303828.db2.gz GFNFKOQJVUOYEL-BBWFWOEESA-N 2 1 295.515 3.150 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+][C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246361786 804306763 /nfs/dbraw/zinc/30/67/63/804306763.db2.gz MGOIQJQHYMXDAN-GOEBONIOSA-N 2 1 290.451 3.297 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC001139898387 804320103 /nfs/dbraw/zinc/32/01/03/804320103.db2.gz LPRLIZFROSJZKL-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC001139898387 804320112 /nfs/dbraw/zinc/32/01/12/804320112.db2.gz LPRLIZFROSJZKL-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC001139898387 804320122 /nfs/dbraw/zinc/32/01/22/804320122.db2.gz LPRLIZFROSJZKL-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC001139898387 804320131 /nfs/dbraw/zinc/32/01/31/804320131.db2.gz LPRLIZFROSJZKL-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411882 804325401 /nfs/dbraw/zinc/32/54/01/804325401.db2.gz GXDJDMIWDISGHP-LSDHHAIUSA-N 2 1 270.461 3.092 20 0 CGADMP CCC(CC)[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246435327 804331275 /nfs/dbraw/zinc/33/12/75/804331275.db2.gz HGQTXIBXLLCPOJ-UHFFFAOYSA-N 2 1 264.388 3.183 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)C[NH2+]1 ZINC001246438772 804334512 /nfs/dbraw/zinc/33/45/12/804334512.db2.gz ZWFXQWOELMBGHY-CZUORRHYSA-N 2 1 278.415 3.125 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@H](F)C1 ZINC001140026730 804354066 /nfs/dbraw/zinc/35/40/66/804354066.db2.gz PTLUJFYFMZGIEW-HNNXBMFYSA-N 2 1 273.355 3.115 20 0 CGADMP Cc1nccn1-c1ccccc1CN1CCC[C@H](F)C1 ZINC001140026730 804354074 /nfs/dbraw/zinc/35/40/74/804354074.db2.gz PTLUJFYFMZGIEW-HNNXBMFYSA-N 2 1 273.355 3.115 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001246493508 804358835 /nfs/dbraw/zinc/35/88/35/804358835.db2.gz BWWMDPLWSQTRLJ-MRXNPFEDSA-N 3 1 285.520 3.384 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246500517 804362161 /nfs/dbraw/zinc/36/21/61/804362161.db2.gz WXPXEMUAMYALBW-SPUZQDLCSA-N 2 1 272.436 3.300 20 0 CGADMP c1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246518984 804370746 /nfs/dbraw/zinc/37/07/46/804370746.db2.gz KLQCTUWDMSIYLM-GOSISDBHSA-N 2 1 284.447 3.500 20 0 CGADMP C[N@@H+](CCc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246518620 804371393 /nfs/dbraw/zinc/37/13/93/804371393.db2.gz HMHQQULFFBZSEA-UHFFFAOYSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C(C)(C)C)C[NH2+]1 ZINC001246519699 804373724 /nfs/dbraw/zinc/37/37/24/804373724.db2.gz POCQVFIMGCAGGV-ZBFHGGJFSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C(C)(C)C)C[NH2+]1 ZINC001246519699 804373731 /nfs/dbraw/zinc/37/37/31/804373731.db2.gz POCQVFIMGCAGGV-ZBFHGGJFSA-N 2 1 260.425 3.428 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC001246520135 804374096 /nfs/dbraw/zinc/37/40/96/804374096.db2.gz QYWQAMGOJDFBOI-MSOLQXFVSA-N 2 1 272.436 3.356 20 0 CGADMP C1C[C@H]2C[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C[C@H]2C1 ZINC001246523426 804377927 /nfs/dbraw/zinc/37/79/27/804377927.db2.gz BIUBZDSGCSGRTP-XHSDSOJGSA-N 2 1 262.441 3.173 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246523415 804378787 /nfs/dbraw/zinc/37/87/87/804378787.db2.gz FWHZXZUWJKJBEA-HOTGVXAUSA-N 2 1 278.415 3.424 20 0 CGADMP CCC[N@@H+]([C@@H](C)CC)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246528511 804380016 /nfs/dbraw/zinc/38/00/16/804380016.db2.gz HPKNKFFXUDPJDE-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+]([C@H](C)CC)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246528513 804380119 /nfs/dbraw/zinc/38/01/19/804380119.db2.gz HPKNKFFXUDPJDE-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246541059 804391303 /nfs/dbraw/zinc/39/13/03/804391303.db2.gz LLRJVGPCIIDMKO-JQHSSLGASA-N 2 1 274.452 3.315 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246546827 804396540 /nfs/dbraw/zinc/39/65/40/804396540.db2.gz APYRDFQRFURXFQ-WMLDXEAASA-N 2 1 294.389 3.025 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCCC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246554735 804403947 /nfs/dbraw/zinc/40/39/47/804403947.db2.gz CNDQTBGLZGJPDJ-RBSFLKMASA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001246553497 804404713 /nfs/dbraw/zinc/40/47/13/804404713.db2.gz BBUFTYFZMHRWHF-FVCCEPFGSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001246553497 804404718 /nfs/dbraw/zinc/40/47/18/804404718.db2.gz BBUFTYFZMHRWHF-FVCCEPFGSA-N 2 1 278.362 3.167 20 0 CGADMP CC(C)OC1CCC([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CC1 ZINC001246557359 804406111 /nfs/dbraw/zinc/40/61/11/804406111.db2.gz KXOCBVGCNAILEH-JUVOFCAFSA-N 2 1 282.472 3.029 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557507 804406744 /nfs/dbraw/zinc/40/67/44/804406744.db2.gz LXEDHWJOXLHDAE-QWHCGFSZSA-N 2 1 262.388 3.261 20 0 CGADMP C[N@H+](Cc1ccccc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC001140312800 804409155 /nfs/dbraw/zinc/40/91/55/804409155.db2.gz HGLBKWJIAGULQU-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP C[N@@H+](Cc1ccccc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC001140312800 804409158 /nfs/dbraw/zinc/40/91/58/804409158.db2.gz HGLBKWJIAGULQU-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246560348 804410507 /nfs/dbraw/zinc/41/05/07/804410507.db2.gz CVYDTZZUVOWLJC-VNHYZAJKSA-N 2 1 280.843 3.330 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](F)C2)CC[NH2+]1 ZINC001246565093 804413970 /nfs/dbraw/zinc/41/39/70/804413970.db2.gz ABHVUEYPQJWMOY-RBSFLKMASA-N 2 1 256.409 3.121 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](F)C2)CC[NH2+]1 ZINC001246565093 804413976 /nfs/dbraw/zinc/41/39/76/804413976.db2.gz ABHVUEYPQJWMOY-RBSFLKMASA-N 2 1 256.409 3.121 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246564001 804414134 /nfs/dbraw/zinc/41/41/34/804414134.db2.gz YMBMFOKPSVNRDB-IIAWOOMASA-N 2 1 278.415 3.064 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@](C)(C[NH3+])CC1)C2 ZINC001246573956 804421483 /nfs/dbraw/zinc/42/14/83/804421483.db2.gz GZXZCBZOMRPTHH-IEBWSBKVSA-N 2 1 286.463 3.303 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCC3(CCOCC3)CC2)CC1 ZINC001246582392 804425400 /nfs/dbraw/zinc/42/54/00/804425400.db2.gz RYJOHAOYJGZIKY-KRWDZBQOSA-N 2 1 294.483 3.177 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246580533 804426118 /nfs/dbraw/zinc/42/61/18/804426118.db2.gz WZDRYEFKQGLCLA-PBHICJAKSA-N 2 1 278.415 3.208 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246584546 804427399 /nfs/dbraw/zinc/42/73/99/804427399.db2.gz NLSALBTVKYAZPL-ROUUACIJSA-N 2 1 274.452 3.459 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246585468 804429933 /nfs/dbraw/zinc/42/99/33/804429933.db2.gz KYIROCUKMJWMBM-ZQDZILKHSA-N 2 1 258.425 3.208 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246585468 804429939 /nfs/dbraw/zinc/42/99/39/804429939.db2.gz KYIROCUKMJWMBM-ZQDZILKHSA-N 2 1 258.425 3.208 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586328 804430575 /nfs/dbraw/zinc/43/05/75/804430575.db2.gz TTWGCIWFWAGDOA-WMLDXEAASA-N 2 1 292.854 3.258 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@](C)(C[NH3+])C1)C2 ZINC001246588685 804431501 /nfs/dbraw/zinc/43/15/01/804431501.db2.gz CCDYTWXGKNEWDS-HKUYNNGSSA-N 2 1 286.463 3.303 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246589280 804432419 /nfs/dbraw/zinc/43/24/19/804432419.db2.gz DXSNPXXYUZNMIJ-PMPSAXMXSA-N 2 1 270.461 3.031 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246591643 804432962 /nfs/dbraw/zinc/43/29/62/804432962.db2.gz NHPIKVNTTCOHPX-VNHYZAJKSA-N 2 1 292.854 3.257 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001246592689 804435368 /nfs/dbraw/zinc/43/53/68/804435368.db2.gz GTAGTCVUXSGDDR-LSDHHAIUSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001246592689 804435370 /nfs/dbraw/zinc/43/53/70/804435370.db2.gz GTAGTCVUXSGDDR-LSDHHAIUSA-N 2 1 278.465 3.159 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246599234 804438852 /nfs/dbraw/zinc/43/88/52/804438852.db2.gz BIJVWVZZNXAAJA-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598857 804438864 /nfs/dbraw/zinc/43/88/64/804438864.db2.gz BJLJQMRQRQYZQA-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@]3(CC[NH2+]3)C1)C2 ZINC001246607357 804441801 /nfs/dbraw/zinc/44/18/01/804441801.db2.gz DGAXREPLZJNGPC-IRXDYDNUSA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CC[NH2+]3)C1)C2 ZINC001246607357 804441807 /nfs/dbraw/zinc/44/18/07/804441807.db2.gz DGAXREPLZJNGPC-IRXDYDNUSA-N 2 1 290.838 3.025 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)CC(C)(C)C1 ZINC001246611532 804445589 /nfs/dbraw/zinc/44/55/89/804445589.db2.gz UHUBIIMOMNDMPC-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP C1[C@@H]2C[C@@H]([N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)C[C@H]12 ZINC001246612459 804446320 /nfs/dbraw/zinc/44/63/20/804446320.db2.gz WILJDBAZYPSXKT-YYIAUSFCSA-N 2 1 262.441 3.031 20 0 CGADMP C1CSC[C@@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001246611638 804446551 /nfs/dbraw/zinc/44/65/51/804446551.db2.gz VBLUMFATGWFWKZ-HOTGVXAUSA-N 2 1 282.497 3.128 20 0 CGADMP C1CC2(CCCCC2)[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246613508 804446785 /nfs/dbraw/zinc/44/67/85/804446785.db2.gz KTTROLSXBPBFHG-HNNXBMFYSA-N 2 1 262.441 3.317 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246614537 804449009 /nfs/dbraw/zinc/44/90/09/804449009.db2.gz NTEIMJLQIRTCDX-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246614537 804449014 /nfs/dbraw/zinc/44/90/14/804449014.db2.gz NTEIMJLQIRTCDX-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615834 804450166 /nfs/dbraw/zinc/45/01/66/804450166.db2.gz SVSOUWSDOQBTAT-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246616291 804450734 /nfs/dbraw/zinc/45/07/34/804450734.db2.gz GXWIWDSOUSYWLI-RHSMWYFYSA-N 2 1 292.854 3.489 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246616291 804450736 /nfs/dbraw/zinc/45/07/36/804450736.db2.gz GXWIWDSOUSYWLI-RHSMWYFYSA-N 2 1 292.854 3.489 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC001246617706 804451859 /nfs/dbraw/zinc/45/18/59/804451859.db2.gz DSKKEMWBBGBFIJ-GDBMZVCRSA-N 2 1 250.430 3.173 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246616622 804452679 /nfs/dbraw/zinc/45/26/79/804452679.db2.gz YTBMCHOJESSXGG-SJORKVTESA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246616622 804452682 /nfs/dbraw/zinc/45/26/82/804452682.db2.gz YTBMCHOJESSXGG-SJORKVTESA-N 2 1 290.838 3.025 20 0 CGADMP C1C[NH2+][C@]2(C1)CCC[N@H+](C1CCCCCCC1)C2 ZINC001246621522 804453473 /nfs/dbraw/zinc/45/34/73/804453473.db2.gz OXAFETVMIONDTA-MRXNPFEDSA-N 2 1 250.430 3.317 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246623608 804455804 /nfs/dbraw/zinc/45/58/04/804455804.db2.gz AWMBIEOANFNTGL-FUHWJXTLSA-N 2 1 272.436 3.002 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246628717 804458937 /nfs/dbraw/zinc/45/89/37/804458937.db2.gz CMSIGJMXAXIHOJ-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246628234 804459389 /nfs/dbraw/zinc/45/93/89/804459389.db2.gz KPWVYCBDSUVIOV-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246630141 804460419 /nfs/dbraw/zinc/46/04/19/804460419.db2.gz HHQPULSDABDOKV-GOEBONIOSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246630589 804460915 /nfs/dbraw/zinc/46/09/15/804460915.db2.gz PKEDQYOJKUFTOR-OFLPRAFFSA-N 2 1 264.457 3.277 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246630778 804461319 /nfs/dbraw/zinc/46/13/19/804461319.db2.gz LOXITIXLZUVBCJ-INIZCTEOSA-N 2 1 252.446 3.421 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632274 804462584 /nfs/dbraw/zinc/46/25/84/804462584.db2.gz WMILCPURZQSEAH-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246636228 804465961 /nfs/dbraw/zinc/46/59/61/804465961.db2.gz UITLHHCDFSZKIC-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246643358 804470650 /nfs/dbraw/zinc/47/06/50/804470650.db2.gz GBCOPNTUEGQIAI-CJNGLKHVSA-N 2 1 250.430 3.029 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246644587 804471737 /nfs/dbraw/zinc/47/17/37/804471737.db2.gz RLFRHRXXGMOQQI-APWZRJJASA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001246644587 804471740 /nfs/dbraw/zinc/47/17/40/804471740.db2.gz RLFRHRXXGMOQQI-APWZRJJASA-N 2 1 286.463 3.398 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246644601 804472184 /nfs/dbraw/zinc/47/21/84/804472184.db2.gz IIJSNDNYTSYQQM-KSZLIROESA-N 2 1 296.499 3.293 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644963 804472329 /nfs/dbraw/zinc/47/23/29/804472329.db2.gz SJFSFFGUYNEKMT-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644963 804472332 /nfs/dbraw/zinc/47/23/32/804472332.db2.gz SJFSFFGUYNEKMT-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246645279 804472430 /nfs/dbraw/zinc/47/24/30/804472430.db2.gz UTIUPJPHHFAMTQ-HOCLYGCPSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C1 ZINC001246644667 804472643 /nfs/dbraw/zinc/47/26/43/804472643.db2.gz LEMIGWNLYWRFAW-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246646433 804474178 /nfs/dbraw/zinc/47/41/78/804474178.db2.gz DYWGOXRKUQCSEN-MAUKXSAKSA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246646433 804474180 /nfs/dbraw/zinc/47/41/80/804474180.db2.gz DYWGOXRKUQCSEN-MAUKXSAKSA-N 2 1 272.436 3.008 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649409 804477558 /nfs/dbraw/zinc/47/75/58/804477558.db2.gz PEQCUTGBCVNDDV-XJKSGUPXSA-N 2 1 278.827 3.099 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649409 804477561 /nfs/dbraw/zinc/47/75/61/804477561.db2.gz PEQCUTGBCVNDDV-XJKSGUPXSA-N 2 1 278.827 3.099 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246653776 804480495 /nfs/dbraw/zinc/48/04/95/804480495.db2.gz JGAOOYUEEHKALK-OKZBNKHCSA-N 2 1 272.436 3.211 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246658475 804482407 /nfs/dbraw/zinc/48/24/07/804482407.db2.gz UIBSEVWXZBJVJD-MWDXBVQZSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246658475 804482412 /nfs/dbraw/zinc/48/24/12/804482412.db2.gz UIBSEVWXZBJVJD-MWDXBVQZSA-N 2 1 264.457 3.419 20 0 CGADMP C1[C@H]2CC[NH2+]C[C@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246660958 804483717 /nfs/dbraw/zinc/48/37/17/804483717.db2.gz DIGHVXPFWZQGQN-GDBMZVCRSA-N 2 1 262.441 3.173 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246660070 804484340 /nfs/dbraw/zinc/48/43/40/804484340.db2.gz OGUNMCUIDHMHJE-MHORFTMASA-N 2 1 272.436 3.065 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001246665865 804486364 /nfs/dbraw/zinc/48/63/64/804486364.db2.gz REVWNQGTDSIGEO-BUGOSIMFSA-N 2 1 296.458 3.249 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC001246668533 804487855 /nfs/dbraw/zinc/48/78/55/804487855.db2.gz OILGHQIKHCNQQS-NCXUSEDFSA-N 2 1 284.447 3.254 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246677113 804491609 /nfs/dbraw/zinc/49/16/09/804491609.db2.gz GSAOUYLORRUSLW-GOEBONIOSA-N 2 1 252.446 3.133 20 0 CGADMP C1CCC([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246676537 804491853 /nfs/dbraw/zinc/49/18/53/804491853.db2.gz CBFJYZZLEYFGBA-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246678560 804493128 /nfs/dbraw/zinc/49/31/28/804493128.db2.gz XZXASVZVBMMQKF-MNAZLIDISA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246687024 804496261 /nfs/dbraw/zinc/49/62/61/804496261.db2.gz CNFNCBTZZDKXNH-GOEBONIOSA-N 2 1 284.463 3.456 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OC)CC[NH2+]1 ZINC001246769107 804502741 /nfs/dbraw/zinc/50/27/41/804502741.db2.gz IFQAWMCWHKCRFK-DLBZAZTESA-N 2 1 290.451 3.438 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC)CC[NH2+]1 ZINC001246769107 804502743 /nfs/dbraw/zinc/50/27/43/804502743.db2.gz IFQAWMCWHKCRFK-DLBZAZTESA-N 2 1 290.451 3.438 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246769457 804502954 /nfs/dbraw/zinc/50/29/54/804502954.db2.gz KGRHKRSOSCGKFR-WBVHZDCISA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246769457 804502955 /nfs/dbraw/zinc/50/29/55/804502955.db2.gz KGRHKRSOSCGKFR-WBVHZDCISA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC001246769120 804503021 /nfs/dbraw/zinc/50/30/21/804503021.db2.gz IGXNGUIJQVQKHD-QGZVFWFLSA-N 2 1 260.425 3.431 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246774736 804504591 /nfs/dbraw/zinc/50/45/91/804504591.db2.gz GNVJQMACHGAXIJ-IAGOWNOFSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001246782238 804508265 /nfs/dbraw/zinc/50/82/65/804508265.db2.gz QXQXYQILXXTAKA-NWDGAFQWSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246782238 804508273 /nfs/dbraw/zinc/50/82/73/804508273.db2.gz QXQXYQILXXTAKA-NWDGAFQWSA-N 2 1 284.806 3.081 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246782761 804510580 /nfs/dbraw/zinc/51/05/80/804510580.db2.gz URDHQRQSRIQNPE-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246782761 804510584 /nfs/dbraw/zinc/51/05/84/804510584.db2.gz URDHQRQSRIQNPE-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246790785 804513808 /nfs/dbraw/zinc/51/38/08/804513808.db2.gz MXOWWROFEQTDJO-OAGGEKHMSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246789726 804514422 /nfs/dbraw/zinc/51/44/22/804514422.db2.gz YKDXDVNGCYWBSQ-RDJZCZTQSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246789726 804514425 /nfs/dbraw/zinc/51/44/25/804514425.db2.gz YKDXDVNGCYWBSQ-RDJZCZTQSA-N 2 1 288.435 3.048 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001246791490 804515415 /nfs/dbraw/zinc/51/54/15/804515415.db2.gz JWBRJLICZJWOTF-OAHLLOKOSA-N 2 1 290.476 3.161 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001246791490 804515418 /nfs/dbraw/zinc/51/54/18/804515418.db2.gz JWBRJLICZJWOTF-OAHLLOKOSA-N 2 1 290.476 3.161 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794462 804516774 /nfs/dbraw/zinc/51/67/74/804516774.db2.gz ZUQSFZGTCBKTSR-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)C[C@H](C)[NH2+]1 ZINC001246793975 804517596 /nfs/dbraw/zinc/51/75/96/804517596.db2.gz FOOZDMWDIHPQQO-DLTLXFJOSA-N 2 1 276.399 3.492 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794463 804517811 /nfs/dbraw/zinc/51/78/11/804517811.db2.gz ZUQSFZGTCBKTSR-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140799886 804518461 /nfs/dbraw/zinc/51/84/61/804518461.db2.gz PLZXOVVFNPNJFF-UHFFFAOYSA-N 2 1 251.333 3.195 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140799886 804518464 /nfs/dbraw/zinc/51/84/64/804518464.db2.gz PLZXOVVFNPNJFF-UHFFFAOYSA-N 2 1 251.333 3.195 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCc2ccccc2C1 ZINC001140799961 804519230 /nfs/dbraw/zinc/51/92/30/804519230.db2.gz QPJGKEYRFJEMHV-UHFFFAOYSA-N 2 1 263.344 3.121 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCc2ccccc2C1 ZINC001140799961 804519237 /nfs/dbraw/zinc/51/92/37/804519237.db2.gz QPJGKEYRFJEMHV-UHFFFAOYSA-N 2 1 263.344 3.121 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001246813328 804530713 /nfs/dbraw/zinc/53/07/13/804530713.db2.gz IECIPYHJLPVUMK-LSDHHAIUSA-N 2 1 278.465 3.017 20 0 CGADMP C[N@H+](Cc1ccsc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246814200 804530859 /nfs/dbraw/zinc/53/08/59/804530859.db2.gz OIRZQIGUVSAPDK-KBPBESRZSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](Cc1ccsc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246814200 804530863 /nfs/dbraw/zinc/53/08/63/804530863.db2.gz OIRZQIGUVSAPDK-KBPBESRZSA-N 2 1 266.454 3.347 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246815663 804531628 /nfs/dbraw/zinc/53/16/28/804531628.db2.gz ZVUAFNXKCWDSHU-QWHCGFSZSA-N 2 1 298.883 3.362 20 0 CGADMP CC[C@@H]1CC([N@@H+]2Cc3ccc(F)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246816897 804532062 /nfs/dbraw/zinc/53/20/62/804532062.db2.gz MMUWYAPPRZUCMT-HZPDHXFCSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@@H]1CC([N@H+]2Cc3ccc(F)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246816897 804532067 /nfs/dbraw/zinc/53/20/67/804532067.db2.gz MMUWYAPPRZUCMT-HZPDHXFCSA-N 2 1 276.399 3.451 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC(c2ccccc2)CC1 ZINC001246815140 804532650 /nfs/dbraw/zinc/53/26/50/804532650.db2.gz WSIIQVOJVNLPDN-ZLPCBKJTSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1c[nH]c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001140860318 804535293 /nfs/dbraw/zinc/53/52/93/804535293.db2.gz POWQAUOODWETBX-QGZVFWFLSA-N 2 1 289.467 3.472 20 0 CGADMP Cc1c[nH]c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001140860318 804535300 /nfs/dbraw/zinc/53/53/00/804535300.db2.gz POWQAUOODWETBX-QGZVFWFLSA-N 2 1 289.467 3.472 20 0 CGADMP CC[C@H]1CC([N@@H+]2CCc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246827390 804539413 /nfs/dbraw/zinc/53/94/13/804539413.db2.gz KUIMLWHUJBBEHE-IRXDYDNUSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@H]1CC([N@H+]2CCc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246827390 804539420 /nfs/dbraw/zinc/53/94/20/804539420.db2.gz KUIMLWHUJBBEHE-IRXDYDNUSA-N 2 1 290.426 3.493 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246831443 804540979 /nfs/dbraw/zinc/54/09/79/804540979.db2.gz FDWKABILFMIWMB-QZWWFDLISA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246831443 804540983 /nfs/dbraw/zinc/54/09/83/804540983.db2.gz FDWKABILFMIWMB-QZWWFDLISA-N 2 1 264.457 3.275 20 0 CGADMP COCC[N@@H+]([C@H](C)C[C@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC001246838624 804546867 /nfs/dbraw/zinc/54/68/67/804546867.db2.gz ZBTKWMRDIDRMNA-HZPDHXFCSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246838867 804548567 /nfs/dbraw/zinc/54/85/67/804548567.db2.gz JITUDYPLIPMQCE-LJISPDSOSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840775 804550484 /nfs/dbraw/zinc/55/04/84/804550484.db2.gz KLZVJXWMCPKFFH-RDGPPVDQSA-N 2 1 286.463 3.457 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246842872 804552674 /nfs/dbraw/zinc/55/26/74/804552674.db2.gz FFKWILZNOASKMI-KBPBESRZSA-N 2 1 278.827 3.011 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246844827 804553529 /nfs/dbraw/zinc/55/35/29/804553529.db2.gz CXFDQMVHSXRVLU-HOCLYGCPSA-N 2 1 276.399 3.146 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246847236 804556494 /nfs/dbraw/zinc/55/64/94/804556494.db2.gz RJTZFSONEDQTCJ-HOTGVXAUSA-N 2 1 278.827 3.011 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccccn2)C2CCCCC2)CC[NH2+]1 ZINC001246848183 804557625 /nfs/dbraw/zinc/55/76/25/804557625.db2.gz XGIBJZFERSHTRG-CRAIPNDOSA-N 2 1 287.451 3.357 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246847720 804558956 /nfs/dbraw/zinc/55/89/56/804558956.db2.gz LYFHFCNPCQJERS-MSOLQXFVSA-N 2 1 272.436 3.397 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246849170 804559364 /nfs/dbraw/zinc/55/93/64/804559364.db2.gz ZEHNTACLGREZFP-ROUUACIJSA-N 2 1 274.452 3.457 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1CCC3(CCc4ccccc43)CC1)C2 ZINC001246852673 804561734 /nfs/dbraw/zinc/56/17/34/804561734.db2.gz JNIRRHADKRMFPV-KTLDDFEXSA-N 2 1 296.458 3.236 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC001246855229 804563351 /nfs/dbraw/zinc/56/33/51/804563351.db2.gz WYAFCTZUILYCBO-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246856209 804563467 /nfs/dbraw/zinc/56/34/67/804563467.db2.gz ZQXIHRAEFCFUEE-ZVZYQTTQSA-N 2 1 290.426 3.221 20 0 CGADMP C1C[C@@H](C2CCCCC2)[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246866406 804569612 /nfs/dbraw/zinc/56/96/12/804569612.db2.gz TZMDVNRTKQDXES-HZMVEIRTSA-N 2 1 262.441 3.314 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246866522 804570439 /nfs/dbraw/zinc/57/04/39/804570439.db2.gz KSFGWXHCXXNVGW-WBVHZDCISA-N 2 1 270.420 3.138 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246869890 804572250 /nfs/dbraw/zinc/57/22/50/804572250.db2.gz XHBUVVHJWNJUBC-FRFSOERESA-N 2 1 258.409 3.136 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246876908 804574626 /nfs/dbraw/zinc/57/46/26/804574626.db2.gz ILYPJIJYSNFGDX-HBFSDRIKSA-N 2 1 298.474 3.428 20 0 CGADMP Nc1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246889346 804583205 /nfs/dbraw/zinc/58/32/05/804583205.db2.gz PYEQFSYPOMSUQR-SFHVURJKSA-N 2 1 299.462 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CC[NH2+]1 ZINC001246898465 804586364 /nfs/dbraw/zinc/58/63/64/804586364.db2.gz YNXCIEGKZCWDFC-HOCLYGCPSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2ccc(C)cc2)CC[NH2+]1 ZINC001246906272 804592022 /nfs/dbraw/zinc/59/20/22/804592022.db2.gz DLWXMBPPLXTLJG-SJORKVTESA-N 2 1 260.425 3.348 20 0 CGADMP CCSC[C@H](C)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246911786 804594646 /nfs/dbraw/zinc/59/46/46/804594646.db2.gz CIZBZXRMOYUDFI-HNNXBMFYSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246916396 804598640 /nfs/dbraw/zinc/59/86/40/804598640.db2.gz RWHPOUCHQFIWGQ-OAHLLOKOSA-N 2 1 272.436 3.429 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CC[C@H]3CCCC[C@@H]3C1)CC2 ZINC001246919006 804600886 /nfs/dbraw/zinc/60/08/86/804600886.db2.gz ILPNGENWBXVZQK-HUUCEWRRSA-N 2 1 262.441 3.031 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](CCCCCCO)Cc1ccccc1 ZINC001246925751 804604263 /nfs/dbraw/zinc/60/42/63/804604263.db2.gz PKXJIZJLYRUTFX-QGZVFWFLSA-N 2 1 292.467 3.039 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC(C)(C)C1 ZINC001246929847 804605564 /nfs/dbraw/zinc/60/55/64/804605564.db2.gz HBOZZYOODQMNSB-LVQVYYBASA-N 2 1 264.457 3.133 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927835 804605574 /nfs/dbraw/zinc/60/55/74/804605574.db2.gz IKMHTNJDSZZHLB-BBWFWOEESA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927835 804605580 /nfs/dbraw/zinc/60/55/80/804605580.db2.gz IKMHTNJDSZZHLB-BBWFWOEESA-N 2 1 284.488 3.292 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932004 804606604 /nfs/dbraw/zinc/60/66/04/804606604.db2.gz OKOGAQMDTMXULN-XJFOESAGSA-N 2 1 290.373 3.039 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C2)CC(C)(C)C1 ZINC001246933906 804607163 /nfs/dbraw/zinc/60/71/63/804607163.db2.gz JTVSRZJSJAWZDE-MROQNXINSA-N 2 1 292.389 3.413 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246938312 804611073 /nfs/dbraw/zinc/61/10/73/804611073.db2.gz LXSRINKTYKMMLS-SOUVJXGZSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)OCC[C@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246949628 804615521 /nfs/dbraw/zinc/61/55/21/804615521.db2.gz JWJKCKNLZZRWOU-HNNXBMFYSA-N 2 1 284.488 3.290 20 0 CGADMP CCSC[C@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246948861 804616344 /nfs/dbraw/zinc/61/63/44/804616344.db2.gz FYOTYKUAOGNGAW-ZDUSSCGKSA-N 2 1 272.502 3.228 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246967835 804621010 /nfs/dbraw/zinc/62/10/10/804621010.db2.gz ONKKPQBNWVUIDD-ROUUACIJSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970651 804622937 /nfs/dbraw/zinc/62/29/37/804622937.db2.gz ANIWVZCAQFPRAN-LPHOPBHVSA-N 2 1 298.474 3.316 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246977455 804624402 /nfs/dbraw/zinc/62/44/02/804624402.db2.gz DACXKDKYZVMERK-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246977227 804624722 /nfs/dbraw/zinc/62/47/22/804624722.db2.gz SAUONMYGJBBROP-MLHJIOFPSA-N 2 1 272.436 3.067 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246978535 804625214 /nfs/dbraw/zinc/62/52/14/804625214.db2.gz VWXDFFJNRBHWGH-TYRIBLQHSA-N 2 1 296.817 3.079 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@H]12 ZINC001246978215 804625816 /nfs/dbraw/zinc/62/58/16/804625816.db2.gz VEYIZLATLZMTNE-ZSXDVEMLSA-N 2 1 284.447 3.382 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246992186 804632109 /nfs/dbraw/zinc/63/21/09/804632109.db2.gz YFFBRCIRMAMBEC-QGZVFWFLSA-N 2 1 297.531 3.351 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001247002017 804636220 /nfs/dbraw/zinc/63/62/20/804636220.db2.gz JIRKCZYGUPMLST-BZUAXINKSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C2)cc1 ZINC001247012146 804640257 /nfs/dbraw/zinc/64/02/57/804640257.db2.gz CCTFDJPYLQEJAO-AKHDSKFASA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247016385 804645137 /nfs/dbraw/zinc/64/51/37/804645137.db2.gz UPCFOHQFQYXCQD-MJGOQNOKSA-N 2 1 284.447 3.008 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC001142828910 804772945 /nfs/dbraw/zinc/77/29/45/804772945.db2.gz MQTJJVJMDJUCES-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC001142828910 804772949 /nfs/dbraw/zinc/77/29/49/804772949.db2.gz MQTJJVJMDJUCES-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(F)c(C)c1 ZINC001143384214 804845095 /nfs/dbraw/zinc/84/50/95/804845095.db2.gz HEUJMVVWWWJLTK-UHFFFAOYSA-N 2 1 266.404 3.216 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(F)c(C)c1 ZINC001143384214 804845100 /nfs/dbraw/zinc/84/51/00/804845100.db2.gz HEUJMVVWWWJLTK-UHFFFAOYSA-N 2 1 266.404 3.216 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(N(C)C)c1 ZINC001249959307 805326263 /nfs/dbraw/zinc/32/62/63/805326263.db2.gz IPXHDZKEPYSAMN-UHFFFAOYSA-N 2 1 295.446 3.055 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(N(C)C)c1 ZINC001249959307 805326269 /nfs/dbraw/zinc/32/62/69/805326269.db2.gz IPXHDZKEPYSAMN-UHFFFAOYSA-N 2 1 295.446 3.055 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2ccccc21 ZINC001155019011 805523788 /nfs/dbraw/zinc/52/37/88/805523788.db2.gz BUXJAQLYFFAWFV-UKRRQHHQSA-N 2 1 269.392 3.282 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)c2c1 ZINC001155117738 805541208 /nfs/dbraw/zinc/54/12/08/805541208.db2.gz SDUKZTQRGLMIHI-QGZVFWFLSA-N 2 1 287.382 3.437 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155116967 805541663 /nfs/dbraw/zinc/54/16/63/805541663.db2.gz NJUHPOZBSMMRQQ-QGZVFWFLSA-N 2 1 287.382 3.437 20 0 CGADMP Cc1cccc2c1C[N@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257214512 807061452 /nfs/dbraw/zinc/06/14/52/807061452.db2.gz GDAXRQVTQISOGD-UHFFFAOYSA-N 2 1 258.409 3.183 20 0 CGADMP Cc1cccc2c1C[N@@H+](C1CC[NH+](C(C)C)CC1)C2 ZINC001257214512 807061458 /nfs/dbraw/zinc/06/14/58/807061458.db2.gz GDAXRQVTQISOGD-UHFFFAOYSA-N 2 1 258.409 3.183 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001257221881 807065008 /nfs/dbraw/zinc/06/50/08/807065008.db2.gz IZCMXWMFAPIRQD-MRXNPFEDSA-N 2 1 290.426 3.488 20 0 CGADMP CC[N@H+](Cc1ccc(OC)cc1)C1CC[NH+](C(C)C)CC1 ZINC001257221730 807065836 /nfs/dbraw/zinc/06/58/36/807065836.db2.gz FJMNLNPTWMOOBU-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)C1CC[NH+](C(C)C)CC1 ZINC001257221730 807065845 /nfs/dbraw/zinc/06/58/45/807065845.db2.gz FJMNLNPTWMOOBU-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001257312570 807101550 /nfs/dbraw/zinc/10/15/50/807101550.db2.gz YVKVHZUGAMKAKJ-AWEZNQCLSA-N 2 1 276.424 3.134 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)CC(C)(C)C ZINC001167457958 807193845 /nfs/dbraw/zinc/19/38/45/807193845.db2.gz NQFATXHINJAZNH-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C(C)(C)C ZINC001167510043 807201170 /nfs/dbraw/zinc/20/11/70/807201170.db2.gz SXIZTSSWCWQAHX-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001167510043 807201177 /nfs/dbraw/zinc/20/11/77/807201177.db2.gz SXIZTSSWCWQAHX-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001167510043 807201184 /nfs/dbraw/zinc/20/11/84/807201184.db2.gz SXIZTSSWCWQAHX-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(OC(C)C)CC1 ZINC001257871021 807232265 /nfs/dbraw/zinc/23/22/65/807232265.db2.gz XHOPUIGUXZTXJY-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1cc[nH+]cc1-c1ccccc1 ZINC001167785732 807250909 /nfs/dbraw/zinc/25/09/09/807250909.db2.gz BGXYUWWCRXPQIA-UHFFFAOYSA-N 2 1 290.370 3.068 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001167824259 807256106 /nfs/dbraw/zinc/25/61/06/807256106.db2.gz CWKAFBPUFXLJLR-IRXDYDNUSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@H]1CCOC ZINC001167824752 807256463 /nfs/dbraw/zinc/25/64/63/807256463.db2.gz GEZKFWQGHMHNOM-IAGOWNOFSA-N 2 1 284.488 3.388 20 0 CGADMP CC[C@H]1CCC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258016825 807266445 /nfs/dbraw/zinc/26/64/45/807266445.db2.gz MINYCXSPFGNQHK-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911584 807272809 /nfs/dbraw/zinc/27/28/09/807272809.db2.gz BYCKZKFYXSJUBX-VVLHAWIVSA-N 2 1 262.441 3.029 20 0 CGADMP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911584 807272816 /nfs/dbraw/zinc/27/28/16/807272816.db2.gz BYCKZKFYXSJUBX-VVLHAWIVSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964081 807288182 /nfs/dbraw/zinc/28/81/82/807288182.db2.gz NAEMKEMSWVIPMU-HZTRTUMWSA-N 2 1 264.457 3.416 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167969070 807289057 /nfs/dbraw/zinc/28/90/57/807289057.db2.gz ZFCSRLQZTXNWNC-MIGBEJBISA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167969070 807289060 /nfs/dbraw/zinc/28/90/60/807289060.db2.gz ZFCSRLQZTXNWNC-MIGBEJBISA-N 2 1 299.462 3.446 20 0 CGADMP C[N@@H+](CCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003517 807298576 /nfs/dbraw/zinc/29/85/76/807298576.db2.gz OHCLQIFMIKUVFA-SJPCQFCGSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+](CCC1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003517 807298580 /nfs/dbraw/zinc/29/85/80/807298580.db2.gz OHCLQIFMIKUVFA-SJPCQFCGSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+](CCC1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003517 807298587 /nfs/dbraw/zinc/29/85/87/807298587.db2.gz OHCLQIFMIKUVFA-SJPCQFCGSA-N 2 1 262.441 3.124 20 0 CGADMP CCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001168131965 807318968 /nfs/dbraw/zinc/31/89/68/807318968.db2.gz GRWIYVCOTPLPOC-CQSZACIVSA-N 2 1 272.396 3.173 20 0 CGADMP CC[N@H+](C1CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140947 807320072 /nfs/dbraw/zinc/32/00/72/807320072.db2.gz PGDOCJDBPPAGOJ-UHFFFAOYSA-N 2 1 272.436 3.178 20 0 CGADMP CC[N@@H+](C1CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140947 807320081 /nfs/dbraw/zinc/32/00/81/807320081.db2.gz PGDOCJDBPPAGOJ-UHFFFAOYSA-N 2 1 272.436 3.178 20 0 CGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)Cc2ccco2)CC1 ZINC001258177085 807343809 /nfs/dbraw/zinc/34/38/09/807343809.db2.gz LUVBNNLYVYYBHR-OAHLLOKOSA-N 2 1 299.418 3.173 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2ccco2)CC1 ZINC001258192904 807353254 /nfs/dbraw/zinc/35/32/54/807353254.db2.gz NYYWTQLFAZQPNC-OAHLLOKOSA-N 2 1 278.440 3.263 20 0 CGADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258205844 807362674 /nfs/dbraw/zinc/36/26/74/807362674.db2.gz AOQKIUQVZNBNDV-UONOGXRCSA-N 2 1 270.486 3.125 20 0 CGADMP CSCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258205844 807362683 /nfs/dbraw/zinc/36/26/83/807362683.db2.gz AOQKIUQVZNBNDV-UONOGXRCSA-N 2 1 270.486 3.125 20 0 CGADMP CN1CCC[C@H]2C[N@H+](C3CCCCCCC3)C[C@@H]21 ZINC001258242989 807384039 /nfs/dbraw/zinc/38/40/39/807384039.db2.gz CWEUFYXSRFXERN-HOCLYGCPSA-N 2 1 250.430 3.125 20 0 CGADMP c1ccc2c(c1)cncc2C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168368792 807396664 /nfs/dbraw/zinc/39/66/64/807396664.db2.gz PKSVJJJTWHSPLA-UHFFFAOYSA-N 2 1 295.430 3.199 20 0 CGADMP CC1(C)CCC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001258293205 807400578 /nfs/dbraw/zinc/40/05/78/807400578.db2.gz KNCKWUDLKVZGSN-AWEZNQCLSA-N 2 1 261.413 3.491 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001258321155 807408131 /nfs/dbraw/zinc/40/81/31/807408131.db2.gz HWJRUUYBZVGRDH-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168436915 807413721 /nfs/dbraw/zinc/41/37/21/807413721.db2.gz GSYDUTBJSXTHJJ-GOSISDBHSA-N 2 1 290.426 3.101 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001258345763 807421503 /nfs/dbraw/zinc/42/15/03/807421503.db2.gz QGBPONUUMHFUEW-CYBMUJFWSA-N 2 1 284.513 3.465 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258455867 807461923 /nfs/dbraw/zinc/46/19/23/807461923.db2.gz FMNABYLOPFUKFM-ZVZYQTTQSA-N 2 1 287.451 3.342 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CC2CC2)CC1 ZINC001258473092 807470820 /nfs/dbraw/zinc/47/08/20/807470820.db2.gz QYGCGUUSZRHGOW-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2cccnc2)CC1 ZINC001258627119 807515675 /nfs/dbraw/zinc/51/56/75/807515675.db2.gz IEBKCCROGSSTRU-MRXNPFEDSA-N 2 1 289.467 3.065 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082011 807570110 /nfs/dbraw/zinc/57/01/10/807570110.db2.gz XHEUEPBTMWTJJY-DGADGQDISA-N 2 1 250.430 3.028 20 0 CGADMP CCCC[NH+](CCCC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169089922 807571943 /nfs/dbraw/zinc/57/19/43/807571943.db2.gz GSKRKNDAFPJCSV-BCDXTJNWSA-N 2 1 295.515 3.103 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC001169096852 807574519 /nfs/dbraw/zinc/57/45/19/807574519.db2.gz ZCOIVJGSWRZOSC-XYYAHUGASA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC001169096852 807574521 /nfs/dbraw/zinc/57/45/21/807574521.db2.gz ZCOIVJGSWRZOSC-XYYAHUGASA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1ccccc1F)C2 ZINC001169107446 807579283 /nfs/dbraw/zinc/57/92/83/807579283.db2.gz HAOMAPDYGHDCRZ-MUJYYYPQSA-N 2 1 290.426 3.362 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169108672 807579311 /nfs/dbraw/zinc/57/93/11/807579311.db2.gz UXSVYCHMRZAAFU-PNBKFKSVSA-N 2 1 286.419 3.033 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169108672 807579316 /nfs/dbraw/zinc/57/93/16/807579316.db2.gz UXSVYCHMRZAAFU-PNBKFKSVSA-N 2 1 286.419 3.033 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCc3cc(F)ccc31)C2 ZINC001169115058 807580544 /nfs/dbraw/zinc/58/05/44/807580544.db2.gz HHIABUHAKQISGA-CUSZFKRNSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccccc1F)C2 ZINC001169114046 807581379 /nfs/dbraw/zinc/58/13/79/807581379.db2.gz VTIVEAHQHOPUOI-BTTYYORXSA-N 2 1 276.399 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccccc1F)C2 ZINC001169114046 807581381 /nfs/dbraw/zinc/58/13/81/807581381.db2.gz VTIVEAHQHOPUOI-BTTYYORXSA-N 2 1 276.399 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCCc3ccccc31)C2 ZINC001169120238 807583643 /nfs/dbraw/zinc/58/36/43/807583643.db2.gz ZYGPULXYHRSNQK-TVFCKZIOSA-N 2 1 284.447 3.321 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001169123654 807585185 /nfs/dbraw/zinc/58/51/85/807585185.db2.gz LXACOYZJQABJKB-BQJWPVKWSA-N 2 1 290.838 3.411 20 0 CGADMP Cc1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001169138348 807588483 /nfs/dbraw/zinc/58/84/83/807588483.db2.gz PTDNCPIKSAGZEZ-BBRMVZONSA-N 2 1 261.413 3.346 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144630 807590654 /nfs/dbraw/zinc/59/06/54/807590654.db2.gz KVUGHSAIPHPPLE-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144630 807590660 /nfs/dbraw/zinc/59/06/60/807590660.db2.gz KVUGHSAIPHPPLE-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144630 807590666 /nfs/dbraw/zinc/59/06/66/807590666.db2.gz KVUGHSAIPHPPLE-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]1c1ccccc1)C2 ZINC001169147470 807592073 /nfs/dbraw/zinc/59/20/73/807592073.db2.gz UFNYIIVPDKAZNT-HZMVEIRTSA-N 2 1 256.393 3.059 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]1c1ccccc1)C2 ZINC001169147470 807592077 /nfs/dbraw/zinc/59/20/77/807592077.db2.gz UFNYIIVPDKAZNT-HZMVEIRTSA-N 2 1 256.393 3.059 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]1c1ccccc1)C2 ZINC001169147470 807592083 /nfs/dbraw/zinc/59/20/83/807592083.db2.gz UFNYIIVPDKAZNT-HZMVEIRTSA-N 2 1 256.393 3.059 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258764531 807601616 /nfs/dbraw/zinc/60/16/16/807601616.db2.gz USPJBDBXHBNFSL-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@@H](CCC)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258764531 807601620 /nfs/dbraw/zinc/60/16/20/807601620.db2.gz USPJBDBXHBNFSL-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@@H](CCC)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258764531 807601622 /nfs/dbraw/zinc/60/16/22/807601622.db2.gz USPJBDBXHBNFSL-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC001258814543 807632151 /nfs/dbraw/zinc/63/21/51/807632151.db2.gz PTJFGKJZOUUNSF-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC001258814543 807632154 /nfs/dbraw/zinc/63/21/54/807632154.db2.gz PTJFGKJZOUUNSF-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001258908353 807672339 /nfs/dbraw/zinc/67/23/39/807672339.db2.gz VHKDIKIVAJORHF-ZNMIVQPWSA-N 2 1 258.425 3.177 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258906927 807672492 /nfs/dbraw/zinc/67/24/92/807672492.db2.gz NBBAJCTXDXJFMZ-BZSNNMDCSA-N 3 1 297.531 3.205 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCN(C(C)C)C[C@@H]1C ZINC001258906927 807672494 /nfs/dbraw/zinc/67/24/94/807672494.db2.gz NBBAJCTXDXJFMZ-BZSNNMDCSA-N 2 1 297.531 3.205 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC001258907624 807672895 /nfs/dbraw/zinc/67/28/95/807672895.db2.gz LLDDJHPWEIXPKH-KRWDZBQOSA-N 2 1 295.515 3.057 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC001261492429 807751021 /nfs/dbraw/zinc/75/10/21/807751021.db2.gz CVNAAAGNLCYHEL-DLBZAZTESA-N 2 1 260.425 3.198 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171393366 808044069 /nfs/dbraw/zinc/04/40/69/808044069.db2.gz CCJXRRWWWYCLIK-GDBMZVCRSA-N 2 1 290.426 3.005 20 0 CGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171397704 808045875 /nfs/dbraw/zinc/04/58/75/808045875.db2.gz SWPNFIMCUHRSDH-KRWDZBQOSA-N 2 1 298.405 3.144 20 0 CGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171397704 808045882 /nfs/dbraw/zinc/04/58/82/808045882.db2.gz SWPNFIMCUHRSDH-KRWDZBQOSA-N 2 1 298.405 3.144 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+](C)CC1CC[NH+](C)CC1)C2 ZINC001171570259 808099438 /nfs/dbraw/zinc/09/94/38/808099438.db2.gz IDSJIFLAHSJRCL-GOSISDBHSA-N 2 1 286.463 3.126 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579882 808104049 /nfs/dbraw/zinc/10/40/49/808104049.db2.gz SBVKAIBKNNXGDO-CEXWTWQISA-N 2 1 298.474 3.126 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579882 808104052 /nfs/dbraw/zinc/10/40/52/808104052.db2.gz SBVKAIBKNNXGDO-CEXWTWQISA-N 2 1 298.474 3.126 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579882 808104056 /nfs/dbraw/zinc/10/40/56/808104056.db2.gz SBVKAIBKNNXGDO-CEXWTWQISA-N 2 1 298.474 3.126 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCc3ncccc32)CC1(C)C ZINC001171624796 808106845 /nfs/dbraw/zinc/10/68/45/808106845.db2.gz XVXQVFNRVVRUAZ-INIZCTEOSA-N 2 1 287.451 3.310 20 0 CGADMP CC[N@@H+](C)C1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641634 808111265 /nfs/dbraw/zinc/11/12/65/808111265.db2.gz RJOFPECTDOJQEA-UHFFFAOYSA-N 2 1 295.515 3.054 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cn1 ZINC001171641894 808111628 /nfs/dbraw/zinc/11/16/28/808111628.db2.gz UZBNLNTUTZJYDN-UHFFFAOYSA-N 2 1 289.467 3.473 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cn1 ZINC001171641894 808111631 /nfs/dbraw/zinc/11/16/31/808111631.db2.gz UZBNLNTUTZJYDN-UHFFFAOYSA-N 2 1 289.467 3.473 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171658093 808113909 /nfs/dbraw/zinc/11/39/09/808113909.db2.gz OHKZDSILJSKNCS-HNNXBMFYSA-N 2 1 271.408 3.111 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001171959200 808160253 /nfs/dbraw/zinc/16/02/53/808160253.db2.gz SHQGIBDTWMSUSW-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001171959200 808160257 /nfs/dbraw/zinc/16/02/57/808160257.db2.gz SHQGIBDTWMSUSW-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP CC1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977655 808162403 /nfs/dbraw/zinc/16/24/03/808162403.db2.gz TWEDKNAYWOCGTJ-QGZVFWFLSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172101879 808172108 /nfs/dbraw/zinc/17/21/08/808172108.db2.gz CMMADHOUCNTDDQ-VDNDLQMASA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172101879 808172112 /nfs/dbraw/zinc/17/21/12/808172112.db2.gz CMMADHOUCNTDDQ-VDNDLQMASA-N 2 1 276.399 3.492 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC001172100217 808172896 /nfs/dbraw/zinc/17/28/96/808172896.db2.gz BICKZSKHQCDGEW-QKDCVEJESA-N 2 1 278.465 3.204 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3ccccc3n1)C2 ZINC001172100513 808173018 /nfs/dbraw/zinc/17/30/18/808173018.db2.gz DDPAUXHNLZRVJH-BCDXTJNWSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnc3ccccc3c1)C2 ZINC001172102309 808174834 /nfs/dbraw/zinc/17/48/34/808174834.db2.gz LXMTXCLTLDIERI-BCDXTJNWSA-N 2 1 295.430 3.340 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC001172104048 808175169 /nfs/dbraw/zinc/17/51/69/808175169.db2.gz ZBRMTIFWSDEVPZ-PHZGNYQRSA-N 2 1 276.399 3.239 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C2 ZINC001172107182 808176283 /nfs/dbraw/zinc/17/62/83/808176283.db2.gz UHNJIAKLNCDEOZ-FQUUOJAGSA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C2 ZINC001172107182 808176284 /nfs/dbraw/zinc/17/62/84/808176284.db2.gz UHNJIAKLNCDEOZ-FQUUOJAGSA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(Cl)cc1)C2 ZINC001172105433 808176731 /nfs/dbraw/zinc/17/67/31/808176731.db2.gz HWIKIPBPLAWEDE-BJWYYQGGSA-N 2 1 292.854 3.487 20 0 CGADMP Cc1cc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)no1 ZINC001172114661 808180369 /nfs/dbraw/zinc/18/03/69/808180369.db2.gz RXCLJDANVKWGGD-JYYAWHABSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC001172114661 808180370 /nfs/dbraw/zinc/18/03/70/808180370.db2.gz RXCLJDANVKWGGD-JYYAWHABSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001172114661 808180372 /nfs/dbraw/zinc/18/03/72/808180372.db2.gz RXCLJDANVKWGGD-JYYAWHABSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001172114661 808180374 /nfs/dbraw/zinc/18/03/74/808180374.db2.gz RXCLJDANVKWGGD-JYYAWHABSA-N 2 1 289.423 3.135 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)Cc3ccccc3C1)C2 ZINC001172113702 808180460 /nfs/dbraw/zinc/18/04/60/808180460.db2.gz JDJQCRUVFVEUGZ-NNZMDNLPSA-N 2 1 284.447 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)Cc3ccccc3C1)C2 ZINC001172113702 808180462 /nfs/dbraw/zinc/18/04/62/808180462.db2.gz JDJQCRUVFVEUGZ-NNZMDNLPSA-N 2 1 284.447 3.149 20 0 CGADMP C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115369 808181142 /nfs/dbraw/zinc/18/11/42/808181142.db2.gz WQYWZXMLTCKJNC-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115369 808181143 /nfs/dbraw/zinc/18/11/43/808181143.db2.gz WQYWZXMLTCKJNC-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115369 808181145 /nfs/dbraw/zinc/18/11/45/808181145.db2.gz WQYWZXMLTCKJNC-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115369 808181146 /nfs/dbraw/zinc/18/11/46/808181146.db2.gz WQYWZXMLTCKJNC-FVQHAEBGSA-N 2 1 258.409 3.134 20 0 CGADMP C[N@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115118 808181705 /nfs/dbraw/zinc/18/17/05/808181705.db2.gz URNXAGQGUJGYJP-ZSHCYNCHSA-N 2 1 250.430 3.266 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115118 808181711 /nfs/dbraw/zinc/18/17/11/808181711.db2.gz URNXAGQGUJGYJP-ZSHCYNCHSA-N 2 1 250.430 3.266 20 0 CGADMP C[NH+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115118 808181714 /nfs/dbraw/zinc/18/17/14/808181714.db2.gz URNXAGQGUJGYJP-ZSHCYNCHSA-N 2 1 250.430 3.266 20 0 CGADMP C[NH+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115118 808181720 /nfs/dbraw/zinc/18/17/20/808181720.db2.gz URNXAGQGUJGYJP-ZSHCYNCHSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC001172126519 808185433 /nfs/dbraw/zinc/18/54/33/808185433.db2.gz WRXDMJCKWKYFTL-DGADGQDISA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001172126519 808185427 /nfs/dbraw/zinc/18/54/27/808185427.db2.gz WRXDMJCKWKYFTL-DGADGQDISA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001172126519 808185430 /nfs/dbraw/zinc/18/54/30/808185430.db2.gz WRXDMJCKWKYFTL-DGADGQDISA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC001172126519 808185438 /nfs/dbraw/zinc/18/54/38/808185438.db2.gz WRXDMJCKWKYFTL-DGADGQDISA-N 2 1 250.430 3.122 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCc3ccccc3C1)C2 ZINC001172125081 808185631 /nfs/dbraw/zinc/18/56/31/808185631.db2.gz ODCFPVYDUWGMLJ-REPLKXPHSA-N 2 1 284.447 3.450 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCc3ccccc3C1)C2 ZINC001172125081 808185633 /nfs/dbraw/zinc/18/56/33/808185633.db2.gz ODCFPVYDUWGMLJ-REPLKXPHSA-N 2 1 284.447 3.450 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCCC3)C1)C2 ZINC001172124257 808186672 /nfs/dbraw/zinc/18/66/72/808186672.db2.gz JXWPKKJKCIQCDU-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC3(CCCC3)C1)C2 ZINC001172124257 808186675 /nfs/dbraw/zinc/18/66/75/808186675.db2.gz JXWPKKJKCIQCDU-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC3(CCCC3)C1)C2 ZINC001172124257 808186677 /nfs/dbraw/zinc/18/66/77/808186677.db2.gz JXWPKKJKCIQCDU-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP c1[nH+]cn([C@H]2CSc3ccccc3C2)c1C1CC[NH2+]CC1 ZINC001172206408 808199154 /nfs/dbraw/zinc/19/91/54/808199154.db2.gz QCPABTPEGXCCOI-OAHLLOKOSA-N 2 1 299.443 3.240 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@H]1C ZINC001172365663 808260935 /nfs/dbraw/zinc/26/09/35/808260935.db2.gz AOCDGLCGSRBYKD-INMHGKMJSA-N 2 1 287.451 3.156 20 0 CGADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172439913 808315400 /nfs/dbraw/zinc/31/54/00/808315400.db2.gz FSKIZXMECQOPBV-HZPDHXFCSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172439913 808315407 /nfs/dbraw/zinc/31/54/07/808315407.db2.gz FSKIZXMECQOPBV-HZPDHXFCSA-N 2 1 282.472 3.187 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550293 808379410 /nfs/dbraw/zinc/37/94/10/808379410.db2.gz DMNIRRJDSAQQHF-SQNIBIBYSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1CC[NH+](C)CC1 ZINC001172836322 808452061 /nfs/dbraw/zinc/45/20/61/808452061.db2.gz CCXILYPWKMLWMT-LLVKDONJSA-N 2 1 284.806 3.094 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172844011 808457453 /nfs/dbraw/zinc/45/74/53/808457453.db2.gz GDZKWJCKXUPYAP-GFCCVEGCSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001172849601 808461840 /nfs/dbraw/zinc/46/18/40/808461840.db2.gz OSJZOFRYTSDGPO-HWWQOWPSSA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172849601 808461843 /nfs/dbraw/zinc/46/18/43/808461843.db2.gz OSJZOFRYTSDGPO-HWWQOWPSSA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001172859777 808464493 /nfs/dbraw/zinc/46/44/93/808464493.db2.gz CBQVWSXCEJWWBL-HWWQOWPSSA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172859777 808464500 /nfs/dbraw/zinc/46/45/00/808464500.db2.gz CBQVWSXCEJWWBL-HWWQOWPSSA-N 2 1 298.833 3.340 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1C1CCC(Oc2ccccc2)CC1 ZINC001173202857 808535655 /nfs/dbraw/zinc/53/56/55/808535655.db2.gz YAHPIBPUBXEYPL-UHFFFAOYSA-N 2 1 299.418 3.337 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CC)C2)C1 ZINC001173275799 808578328 /nfs/dbraw/zinc/57/83/28/808578328.db2.gz UFSAFHHPAYGRAH-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CC)C2)C1 ZINC001173275799 808578331 /nfs/dbraw/zinc/57/83/31/808578331.db2.gz UFSAFHHPAYGRAH-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP CCSC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001173294109 808593433 /nfs/dbraw/zinc/59/34/33/808593433.db2.gz CLZXXAJJCKYAQB-CABCVRRESA-N 2 1 280.481 3.225 20 0 CGADMP C[NH+](C)Cc1ccccc1Nc1cc[nH+]c2ccccc12 ZINC001174040197 808839671 /nfs/dbraw/zinc/83/96/71/808839671.db2.gz XKHDDVAMSWQIKT-UHFFFAOYSA-N 2 1 277.371 3.462 20 0 CGADMP Cc1cc(F)cc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001274998964 808897880 /nfs/dbraw/zinc/89/78/80/808897880.db2.gz JQCPCPUWEXRYNI-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001274998964 808897886 /nfs/dbraw/zinc/89/78/86/808897886.db2.gz JQCPCPUWEXRYNI-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001274998964 808897893 /nfs/dbraw/zinc/89/78/93/808897893.db2.gz JQCPCPUWEXRYNI-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001274998964 808897900 /nfs/dbraw/zinc/89/79/00/808897900.db2.gz JQCPCPUWEXRYNI-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001274998964 808897902 /nfs/dbraw/zinc/89/79/02/808897902.db2.gz JQCPCPUWEXRYNI-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP CC[N@@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001275084740 808903879 /nfs/dbraw/zinc/90/38/79/808903879.db2.gz DBOCPGWBPLQKRP-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP CC[N@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001275084740 808903891 /nfs/dbraw/zinc/90/38/91/808903891.db2.gz DBOCPGWBPLQKRP-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP CC[NH+]1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275084740 808903900 /nfs/dbraw/zinc/90/39/00/808903900.db2.gz DBOCPGWBPLQKRP-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP CC[NH+]1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275084740 808903907 /nfs/dbraw/zinc/90/39/07/808903907.db2.gz DBOCPGWBPLQKRP-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3C(F)F)C[C@H]2CC1 ZINC001275391597 808933922 /nfs/dbraw/zinc/93/39/22/808933922.db2.gz NWTNWKAFXAOPHS-OKILXGFUSA-N 2 1 294.389 3.398 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C(F)F)C[C@H]2CC1 ZINC001275391597 808933928 /nfs/dbraw/zinc/93/39/28/808933928.db2.gz NWTNWKAFXAOPHS-OKILXGFUSA-N 2 1 294.389 3.398 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C(F)F)C[C@H]2CC1 ZINC001275391597 808933937 /nfs/dbraw/zinc/93/39/37/808933937.db2.gz NWTNWKAFXAOPHS-OKILXGFUSA-N 2 1 294.389 3.398 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC001275716707 808959777 /nfs/dbraw/zinc/95/97/77/808959777.db2.gz OJUGVWBQKXUOOF-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1C ZINC001276026154 808984259 /nfs/dbraw/zinc/98/42/59/808984259.db2.gz ZEJNKIWAUQQVIZ-HDICACEKSA-N 2 1 286.463 3.385 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1C ZINC001276026154 808984266 /nfs/dbraw/zinc/98/42/66/808984266.db2.gz ZEJNKIWAUQQVIZ-HDICACEKSA-N 2 1 286.463 3.385 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1C ZINC001276026154 808984268 /nfs/dbraw/zinc/98/42/68/808984268.db2.gz ZEJNKIWAUQQVIZ-HDICACEKSA-N 2 1 286.463 3.385 20 0 CGADMP CCOc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001276394888 809005508 /nfs/dbraw/zinc/00/55/08/809005508.db2.gz MIDNWACXTIUSSX-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001276394888 809005515 /nfs/dbraw/zinc/00/55/15/809005515.db2.gz MIDNWACXTIUSSX-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001276394888 809005522 /nfs/dbraw/zinc/00/55/22/809005522.db2.gz MIDNWACXTIUSSX-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001276394888 809005530 /nfs/dbraw/zinc/00/55/30/809005530.db2.gz MIDNWACXTIUSSX-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CC1(c3ccccc3)CC1)CC2 ZINC001276425774 809007972 /nfs/dbraw/zinc/00/79/72/809007972.db2.gz XUZAJJHWZYKAEI-UHFFFAOYSA-N 2 1 284.447 3.136 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)CC1 ZINC001276473040 809012560 /nfs/dbraw/zinc/01/25/60/809012560.db2.gz UIEHIJNADUUQLN-SJORKVTESA-N 2 1 276.468 3.397 20 0 CGADMP C(C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCCC1)C2)C1CC1 ZINC001276512919 809014523 /nfs/dbraw/zinc/01/45/23/809014523.db2.gz FAOBHYCVFZILSM-ALOPSCKCSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cnccc3Cl)CC2)C1 ZINC001276784997 809031910 /nfs/dbraw/zinc/03/19/10/809031910.db2.gz QZSGASFUHMEXME-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cn1 ZINC001276829840 809035908 /nfs/dbraw/zinc/03/59/08/809035908.db2.gz BLAJIALNPARKGH-UHFFFAOYSA-N 2 1 287.451 3.006 20 0 CGADMP COC(C)(C)C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277584938 809082998 /nfs/dbraw/zinc/08/29/98/809082998.db2.gz WMMMYBPCZJPTNU-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@@H](C)[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277807781 809098776 /nfs/dbraw/zinc/09/87/76/809098776.db2.gz QKOFMKDRTGFVGF-MRXNPFEDSA-N 2 1 289.467 3.491 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001177295163 809792057 /nfs/dbraw/zinc/79/20/57/809792057.db2.gz YKTWDFJPQLRYES-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001177298469 809792481 /nfs/dbraw/zinc/79/24/81/809792481.db2.gz FILGFUUZSLKYIO-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(F)c1 ZINC001178614419 809879345 /nfs/dbraw/zinc/87/93/45/809879345.db2.gz MPLVLNKWEUKDJG-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1 ZINC001179817665 809948137 /nfs/dbraw/zinc/94/81/37/809948137.db2.gz RFGXLVVEAQEMNM-KZNAEPCWSA-N 2 1 272.436 3.240 20 0 CGADMP CNc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179924499 809958916 /nfs/dbraw/zinc/95/89/16/809958916.db2.gz INNOPPQWWVDCRT-QFBILLFUSA-N 2 1 299.462 3.177 20 0 CGADMP CNc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924499 809958921 /nfs/dbraw/zinc/95/89/21/809958921.db2.gz INNOPPQWWVDCRT-QFBILLFUSA-N 2 1 299.462 3.177 20 0 CGADMP CNc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179924499 809958925 /nfs/dbraw/zinc/95/89/25/809958925.db2.gz INNOPPQWWVDCRT-QFBILLFUSA-N 2 1 299.462 3.177 20 0 CGADMP Cc1ccc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1C ZINC001179997594 809965887 /nfs/dbraw/zinc/96/58/87/809965887.db2.gz QAALYBUNPONRHR-GOSISDBHSA-N 2 1 274.452 3.120 20 0 CGADMP Cc1ccc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC001179997594 809965891 /nfs/dbraw/zinc/96/58/91/809965891.db2.gz QAALYBUNPONRHR-GOSISDBHSA-N 2 1 274.452 3.120 20 0 CGADMP Cc1ccc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC001179997594 809965894 /nfs/dbraw/zinc/96/58/94/809965894.db2.gz QAALYBUNPONRHR-GOSISDBHSA-N 2 1 274.452 3.120 20 0 CGADMP C[C@@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)c1ccccn1 ZINC001183498541 810150447 /nfs/dbraw/zinc/15/04/47/810150447.db2.gz GKEYFKDLIBUKRW-QAPCUYQASA-N 2 1 292.386 3.370 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001193807233 810959455 /nfs/dbraw/zinc/95/94/55/810959455.db2.gz JJCGXAIMBXNLQV-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCCC1 ZINC001199188909 811564038 /nfs/dbraw/zinc/56/40/38/811564038.db2.gz GLMNHNYTKRMWGI-QKPAOTATSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001199275786 811569148 /nfs/dbraw/zinc/56/91/48/811569148.db2.gz NBCDYQPOJHCASP-NVXWUHKLSA-N 2 1 274.452 3.390 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CC[N@@H+]2CCCC[C@H]2CC)CCO1 ZINC001200355538 811680750 /nfs/dbraw/zinc/68/07/50/811680750.db2.gz KNJJJDAOXRLPDH-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CC[N@H+]2CCCC[C@H]2CC)CCO1 ZINC001200355538 811680752 /nfs/dbraw/zinc/68/07/52/811680752.db2.gz KNJJJDAOXRLPDH-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(C)c1C ZINC001200715350 811738090 /nfs/dbraw/zinc/73/80/90/811738090.db2.gz YABPLSZTEUQTIZ-UHFFFAOYSA-N 2 1 271.408 3.378 20 0 CGADMP CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001201711777 811942792 /nfs/dbraw/zinc/94/27/92/811942792.db2.gz WONBOTMXLJUAOD-UHFFFAOYSA-N 2 1 276.424 3.368 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCC2 ZINC001203034766 812222495 /nfs/dbraw/zinc/22/24/95/812222495.db2.gz AXUMEOFEJMROJB-UHFFFAOYSA-N 2 1 274.452 3.339 20 0 CGADMP COc1ccccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001203431915 812355422 /nfs/dbraw/zinc/35/54/22/812355422.db2.gz FAQRJBNIRXENAX-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989224 812511049 /nfs/dbraw/zinc/51/10/49/812511049.db2.gz ZUQXGLDCIWBTOP-HKUYNNGSSA-N 2 1 280.415 3.366 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001204024492 812525220 /nfs/dbraw/zinc/52/52/20/812525220.db2.gz JZWAPCXGAAYGAQ-CQSZACIVSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001204024492 812525223 /nfs/dbraw/zinc/52/52/23/812525223.db2.gz JZWAPCXGAAYGAQ-CQSZACIVSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001204024492 812525227 /nfs/dbraw/zinc/52/52/27/812525227.db2.gz JZWAPCXGAAYGAQ-CQSZACIVSA-N 2 1 288.416 3.413 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)o1 ZINC001204393531 812627505 /nfs/dbraw/zinc/62/75/05/812627505.db2.gz QOMOXRDHGBUFCA-UHFFFAOYSA-N 2 1 278.440 3.394 20 0 CGADMP C[N@@H+](CC1CC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC001204598656 812685863 /nfs/dbraw/zinc/68/58/63/812685863.db2.gz MIFYBKWTXHGLMJ-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC001204674829 812705990 /nfs/dbraw/zinc/70/59/90/812705990.db2.gz GKPMVKRUDFAPAA-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC001204674829 812705995 /nfs/dbraw/zinc/70/59/95/812705995.db2.gz GKPMVKRUDFAPAA-UHFFFAOYSA-N 2 1 280.415 3.457 20 0 CGADMP C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C1CCCC1 ZINC001204727836 812718818 /nfs/dbraw/zinc/71/88/18/812718818.db2.gz RIMVFOUECIMOMA-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc21 ZINC001204735205 812720278 /nfs/dbraw/zinc/72/02/78/812720278.db2.gz OCZPDRXDVDZBPG-UHFFFAOYSA-N 2 1 297.446 3.144 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)cccc2Cl)C1 ZINC001205009504 812822009 /nfs/dbraw/zinc/82/20/09/812822009.db2.gz VLJQZQHCIZWXSQ-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)cccc2Cl)C1 ZINC001205009504 812822017 /nfs/dbraw/zinc/82/20/17/812822017.db2.gz VLJQZQHCIZWXSQ-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CCc1cccc2c(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205069271 812847114 /nfs/dbraw/zinc/84/71/14/812847114.db2.gz XESUHLXZHCTNGQ-WFASDCNBSA-N 2 1 271.408 3.042 20 0 CGADMP CCc1cccc2c(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205069271 812847123 /nfs/dbraw/zinc/84/71/23/812847123.db2.gz XESUHLXZHCTNGQ-WFASDCNBSA-N 2 1 271.408 3.042 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001205117526 812874006 /nfs/dbraw/zinc/87/40/06/812874006.db2.gz QDORGHUFPVRNKM-MRXNPFEDSA-N 2 1 297.402 3.187 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001205124066 812876377 /nfs/dbraw/zinc/87/63/77/812876377.db2.gz JVQFOKCDANZBOF-CQSZACIVSA-N 2 1 262.372 3.016 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205123617 812877179 /nfs/dbraw/zinc/87/71/79/812877179.db2.gz CVXJEVHJGYJWPV-CQSZACIVSA-N 2 1 264.438 3.030 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC001205141078 812885328 /nfs/dbraw/zinc/88/53/28/812885328.db2.gz VDFDCFAJIADLBT-DZGCQCFKSA-N 2 1 260.425 3.011 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205164575 812895194 /nfs/dbraw/zinc/89/51/94/812895194.db2.gz IFGHIMLMEVRIMW-OAHLLOKOSA-N 2 1 284.447 3.386 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C)c1cccc2ccccc21 ZINC001205171763 812897438 /nfs/dbraw/zinc/89/74/38/812897438.db2.gz XSEITSLWUOFQFU-PMUMKWKESA-N 2 1 268.404 3.365 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])[C@H]1C)c1cccc2ccccc21 ZINC001205171763 812897446 /nfs/dbraw/zinc/89/74/46/812897446.db2.gz XSEITSLWUOFQFU-PMUMKWKESA-N 2 1 268.404 3.365 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCCCOCc2ccccc2)CC1 ZINC001205257221 812919388 /nfs/dbraw/zinc/91/93/88/812919388.db2.gz UERVBXYJASQTCX-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001205264326 812922331 /nfs/dbraw/zinc/92/23/31/812922331.db2.gz KNBOKAMMXLJVPF-MRXNPFEDSA-N 2 1 275.371 3.010 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001205266988 812923272 /nfs/dbraw/zinc/92/32/72/812923272.db2.gz ZJIQSYQRLJXWTE-MRXNPFEDSA-N 2 1 275.371 3.010 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1CC ZINC001205273062 812924391 /nfs/dbraw/zinc/92/43/91/812924391.db2.gz DEDMIVBXEYORLN-GOSISDBHSA-N 2 1 290.451 3.351 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC001205295955 812935346 /nfs/dbraw/zinc/93/53/46/812935346.db2.gz DDVANNMJNKQDJI-HZPDHXFCSA-N 2 1 274.452 3.271 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC001205296332 812938350 /nfs/dbraw/zinc/93/83/50/812938350.db2.gz MOUUCOKCASQTGO-DZGCQCFKSA-N 2 1 280.843 3.189 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303215 812940703 /nfs/dbraw/zinc/94/07/03/812940703.db2.gz AYVLKLSHXNTWRH-YPMHNXCESA-N 2 1 266.816 3.065 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C[C@@H]1C[NH3+] ZINC001205303165 812940749 /nfs/dbraw/zinc/94/07/49/812940749.db2.gz ACLYJUKKBYJGSE-HIFRSBDPSA-N 2 1 286.394 3.396 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205314377 812947554 /nfs/dbraw/zinc/94/75/54/812947554.db2.gz BFNVUMRQYWXWGR-WFASDCNBSA-N 2 1 280.843 3.319 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205314377 812947555 /nfs/dbraw/zinc/94/75/55/812947555.db2.gz BFNVUMRQYWXWGR-WFASDCNBSA-N 2 1 280.843 3.319 20 0 CGADMP Cc1nc2cc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)ccc2s1 ZINC001205317353 812951418 /nfs/dbraw/zinc/95/14/18/812951418.db2.gz OCORHVFVHGSXDO-SMDDNHRTSA-N 2 1 289.448 3.021 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cc2ccccc2s1 ZINC001205325633 812955937 /nfs/dbraw/zinc/95/59/37/812955937.db2.gz QFJVONCZJRDOQX-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cc2ccccc2s1 ZINC001205325633 812955944 /nfs/dbraw/zinc/95/59/44/812955944.db2.gz QFJVONCZJRDOQX-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC001205546625 812999501 /nfs/dbraw/zinc/99/95/01/812999501.db2.gz XIQXJXGQYAPFAL-INIZCTEOSA-N 2 1 298.833 3.426 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc3occc32)CC1 ZINC001205578447 813010572 /nfs/dbraw/zinc/01/05/72/813010572.db2.gz CDAJLEPHTIUIJR-MRXNPFEDSA-N 2 1 276.355 3.086 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)sc1C ZINC001205581541 813012600 /nfs/dbraw/zinc/01/26/00/813012600.db2.gz VJXQQGKIGFFAHB-AWEZNQCLSA-N 2 1 270.417 3.018 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC001205602017 813017690 /nfs/dbraw/zinc/01/76/90/813017690.db2.gz HPXYDDMBPBYZOT-ZBFHGGJFSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205604439 813020795 /nfs/dbraw/zinc/02/07/95/813020795.db2.gz VRAASZHUKSFNRK-JSGCOSHPSA-N 2 1 266.816 3.147 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)CC[C@@H]1C[NH3+] ZINC001205616431 813026808 /nfs/dbraw/zinc/02/68/08/813026808.db2.gz FLKJTYFMLXUWTM-HUUCEWRRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)CC[C@H]1C[NH3+] ZINC001205617871 813029762 /nfs/dbraw/zinc/02/97/62/813029762.db2.gz OSTRJCYMHHJRMM-CJNGLKHVSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)CC[C@@H]1C[NH3+] ZINC001205617944 813029795 /nfs/dbraw/zinc/02/97/95/813029795.db2.gz PPQQYXDYLUIHJT-WMLDXEAASA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2csc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205626757 813031805 /nfs/dbraw/zinc/03/18/05/813031805.db2.gz IXPVXXXAIIZGDQ-CMPLNLGQSA-N 2 1 272.845 3.208 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205653304 813043022 /nfs/dbraw/zinc/04/30/22/813043022.db2.gz SPARGWWDTVVMPC-UKRRQHHQSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826583 813099364 /nfs/dbraw/zinc/09/93/64/813099364.db2.gz ANGAEWZQVYTMOX-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826583 813099372 /nfs/dbraw/zinc/09/93/72/813099372.db2.gz ANGAEWZQVYTMOX-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826583 813099378 /nfs/dbraw/zinc/09/93/78/813099378.db2.gz ANGAEWZQVYTMOX-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826583 813099389 /nfs/dbraw/zinc/09/93/89/813099389.db2.gz ANGAEWZQVYTMOX-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205829997 813100723 /nfs/dbraw/zinc/10/07/23/813100723.db2.gz QNKFIWNTWZPLDR-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205829997 813100726 /nfs/dbraw/zinc/10/07/26/813100726.db2.gz QNKFIWNTWZPLDR-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001205839412 813104263 /nfs/dbraw/zinc/10/42/63/813104263.db2.gz FORVQFLNJQOAOC-DYVFJYSZSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001205839412 813104267 /nfs/dbraw/zinc/10/42/67/813104267.db2.gz FORVQFLNJQOAOC-DYVFJYSZSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001205845326 813105935 /nfs/dbraw/zinc/10/59/35/813105935.db2.gz ZPJITLNTPCAKTK-WBVHZDCISA-N 2 1 283.419 3.037 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001205845326 813105939 /nfs/dbraw/zinc/10/59/39/813105939.db2.gz ZPJITLNTPCAKTK-WBVHZDCISA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCc1ccccc1 ZINC001205901704 813123056 /nfs/dbraw/zinc/12/30/56/813123056.db2.gz FNCUKTJYYOKAKY-DOTOQJQBSA-N 2 1 260.425 3.069 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)cc2c1 ZINC001205901057 813123451 /nfs/dbraw/zinc/12/34/51/813123451.db2.gz AWPFYKHGJOHUED-ZIAGYGMSSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001205903012 813125049 /nfs/dbraw/zinc/12/50/49/813125049.db2.gz MTIQCFLBBRIHMM-GXTWGEPZSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c21 ZINC001205903857 813126608 /nfs/dbraw/zinc/12/66/08/813126608.db2.gz RINHHBMWEPFFPO-KBPBESRZSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1Br ZINC001205903528 813126885 /nfs/dbraw/zinc/12/68/85/813126885.db2.gz QAUDPGSTRSTVAX-NEPJUHHUSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1Br ZINC001205903528 813126889 /nfs/dbraw/zinc/12/68/89/813126889.db2.gz QAUDPGSTRSTVAX-NEPJUHHUSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205904930 813127926 /nfs/dbraw/zinc/12/79/26/813127926.db2.gz YQPKCZBJVMXNOJ-NWDGAFQWSA-N 2 1 291.826 3.381 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1Cl ZINC001205912759 813128969 /nfs/dbraw/zinc/12/89/69/813128969.db2.gz CAXDCAAKVDJWAX-DOMZBBRYSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1Cl ZINC001205912759 813128973 /nfs/dbraw/zinc/12/89/73/813128973.db2.gz CAXDCAAKVDJWAX-DOMZBBRYSA-N 2 1 280.843 3.462 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205912906 813129295 /nfs/dbraw/zinc/12/92/95/813129295.db2.gz DURQEESVXPUNNG-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205914737 813131093 /nfs/dbraw/zinc/13/10/93/813131093.db2.gz NCSGKKXPQCPLHC-ZBFHGGJFSA-N 2 1 290.451 3.423 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccc2)cc1 ZINC001205916160 813132457 /nfs/dbraw/zinc/13/24/57/813132457.db2.gz SCZRMJPOULXLPW-NVXWUHKLSA-N 2 1 283.419 3.037 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1Cl ZINC001205916650 813132828 /nfs/dbraw/zinc/13/28/28/813132828.db2.gz VPNCZXOYKGCMDV-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923099 813135722 /nfs/dbraw/zinc/13/57/22/813135722.db2.gz IPYSTFWKHXBDEJ-KBPBESRZSA-N 2 1 278.465 3.358 20 0 CGADMP CC(C)C[N@@H+](CCC12CC([NH3+])(C1)C2)Cc1ccccc1 ZINC001205924454 813137141 /nfs/dbraw/zinc/13/71/41/813137141.db2.gz TYWCKBQWQBUXKP-UHFFFAOYSA-N 2 1 272.436 3.416 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc3ccccc32)C1 ZINC001205930968 813137770 /nfs/dbraw/zinc/13/77/70/813137770.db2.gz DZEZILDRPRYPBM-MRXNPFEDSA-N 2 1 254.377 3.153 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001205930968 813137774 /nfs/dbraw/zinc/13/77/74/813137774.db2.gz DZEZILDRPRYPBM-MRXNPFEDSA-N 2 1 254.377 3.153 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205933009 813138934 /nfs/dbraw/zinc/13/89/34/813138934.db2.gz VMDZFAFXBNWLHB-INIZCTEOSA-N 2 1 260.425 3.297 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205933009 813138941 /nfs/dbraw/zinc/13/89/41/813138941.db2.gz VMDZFAFXBNWLHB-INIZCTEOSA-N 2 1 260.425 3.297 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c2ccccc12 ZINC001205931011 813139395 /nfs/dbraw/zinc/13/93/95/813139395.db2.gz GEMZLMIZXOKDLL-HNNXBMFYSA-N 2 1 284.403 3.162 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c2ccccc12 ZINC001205931011 813139397 /nfs/dbraw/zinc/13/93/97/813139397.db2.gz GEMZLMIZXOKDLL-HNNXBMFYSA-N 2 1 284.403 3.162 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205933149 813140222 /nfs/dbraw/zinc/14/02/22/813140222.db2.gz ZEKVPRJEOPAMMY-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCC1(F)F ZINC001205981434 813151183 /nfs/dbraw/zinc/15/11/83/813151183.db2.gz CIANEUFILPLYIX-CYBMUJFWSA-N 2 1 294.389 3.200 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2ccccc2F)CCC[C@@H]1C[NH3+] ZINC001205982561 813151862 /nfs/dbraw/zinc/15/18/62/813151862.db2.gz MILYXDUYEJCMEJ-GOEBONIOSA-N 2 1 278.415 3.065 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205993146 813154777 /nfs/dbraw/zinc/15/47/77/813154777.db2.gz HKMZOJUHAMQBOV-HIFRSBDPSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)c3ccccc23)CCC[C@@H]1C[NH3+] ZINC001205995323 813156823 /nfs/dbraw/zinc/15/68/23/813156823.db2.gz NPYAMXYRUHRUCS-HUUCEWRRSA-N 2 1 298.430 3.352 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCCC3)CCC[C@@H]1C[NH3+] ZINC001206012733 813164698 /nfs/dbraw/zinc/16/46/98/813164698.db2.gz NJIYPPJLEIIDKN-NVXWUHKLSA-N 2 1 286.463 3.372 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206012596 813164841 /nfs/dbraw/zinc/16/48/41/813164841.db2.gz MSZJFNGSJBNTNE-ZIAGYGMSSA-N 2 1 278.465 3.215 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206013556 813165044 /nfs/dbraw/zinc/16/50/44/813165044.db2.gz SHMFYIYELREOTF-SMDDNHRTSA-N 2 1 282.378 3.080 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206012593 813165078 /nfs/dbraw/zinc/16/50/78/813165078.db2.gz MSZJFNGSJBNTNE-KBPBESRZSA-N 2 1 278.465 3.215 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206012268 813165141 /nfs/dbraw/zinc/16/51/41/813165141.db2.gz JLZIJISNLMLRHO-YJBOKZPZSA-N 2 1 274.452 3.446 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206012768 813165489 /nfs/dbraw/zinc/16/54/89/813165489.db2.gz NQFMTSXDBODJDF-RDTXWAMCSA-N 2 1 272.436 3.371 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c12 ZINC001206024524 813170312 /nfs/dbraw/zinc/17/03/12/813170312.db2.gz JPDXAEWNEUWWSU-JKSUJKDBSA-N 2 1 297.446 3.350 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001206049360 813181589 /nfs/dbraw/zinc/18/15/89/813181589.db2.gz JQWMJEZBVIZHLY-SJORKVTESA-N 2 1 276.399 3.495 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C ZINC001206110457 813203239 /nfs/dbraw/zinc/20/32/39/813203239.db2.gz XYPGKEJIDAOFNU-OLZOCXBDSA-N 2 1 278.465 3.262 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1(C)C ZINC001206157369 813218637 /nfs/dbraw/zinc/21/86/37/813218637.db2.gz YCRHLEYBTKSQLP-RBSFLKMASA-N 2 1 268.420 3.130 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1(C)C ZINC001206157369 813218646 /nfs/dbraw/zinc/21/86/46/813218646.db2.gz YCRHLEYBTKSQLP-RBSFLKMASA-N 2 1 268.420 3.130 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257350 813258271 /nfs/dbraw/zinc/25/82/71/813258271.db2.gz BBVOUJWZSKRPLI-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257350 813258274 /nfs/dbraw/zinc/25/82/74/813258274.db2.gz BBVOUJWZSKRPLI-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)s1 ZINC001206269459 813264901 /nfs/dbraw/zinc/26/49/01/813264901.db2.gz NQGQEBHPHKCDMJ-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)s1 ZINC001206269459 813264906 /nfs/dbraw/zinc/26/49/06/813264906.db2.gz NQGQEBHPHKCDMJ-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206278151 813268894 /nfs/dbraw/zinc/26/88/94/813268894.db2.gz ZHENKABJTKGDHB-LLVKDONJSA-N 2 1 286.341 3.055 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206278151 813268902 /nfs/dbraw/zinc/26/89/02/813268902.db2.gz ZHENKABJTKGDHB-LLVKDONJSA-N 2 1 286.341 3.055 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001206277074 813268985 /nfs/dbraw/zinc/26/89/85/813268985.db2.gz NJLXPKTXQLGVLV-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001206277074 813268993 /nfs/dbraw/zinc/26/89/93/813268993.db2.gz NJLXPKTXQLGVLV-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001206294147 813275207 /nfs/dbraw/zinc/27/52/07/813275207.db2.gz JLPANCCIMBQVKI-OAHLLOKOSA-N 2 1 266.816 3.291 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC001206296829 813276412 /nfs/dbraw/zinc/27/64/12/813276412.db2.gz VCHDBLDJGZTIAY-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295293 813276549 /nfs/dbraw/zinc/27/65/49/813276549.db2.gz MDDKSGPHAMFAPL-FUHWJXTLSA-N 2 1 298.515 3.405 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccc(F)cc2)CC1 ZINC001206297649 813276748 /nfs/dbraw/zinc/27/67/48/813276748.db2.gz ZEICBNZJDGJZFO-QGZVFWFLSA-N 2 1 278.415 3.209 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206303200 813278529 /nfs/dbraw/zinc/27/85/29/813278529.db2.gz CSPDXCPTLROPAI-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)ccc2n1 ZINC001206311791 813283957 /nfs/dbraw/zinc/28/39/57/813283957.db2.gz VFCFDPYXCZSMFH-LJQANCHMSA-N 2 1 297.446 3.494 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001206311551 813285019 /nfs/dbraw/zinc/28/50/19/813285019.db2.gz QNKZURMTARQYMV-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)nc1C ZINC001206334918 813292538 /nfs/dbraw/zinc/29/25/38/813292538.db2.gz ASVFJTPZGYRMMD-MRXNPFEDSA-N 2 1 295.858 3.303 20 0 CGADMP COc1ccc(CCC[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542068 813344254 /nfs/dbraw/zinc/34/42/54/813344254.db2.gz QOTMWQGXXQKQHK-SFHVURJKSA-N 2 1 290.451 3.079 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206548085 813346755 /nfs/dbraw/zinc/34/67/55/813346755.db2.gz FWJLDWYQJYCZAB-IBGZPJMESA-N 2 1 298.430 3.496 20 0 CGADMP Cc1csc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206547130 813346783 /nfs/dbraw/zinc/34/67/83/813346783.db2.gz BYILERSYWIMGJK-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c2c1 ZINC001206547109 813347513 /nfs/dbraw/zinc/34/75/13/813347513.db2.gz BRORVFKZJMXTJT-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1C ZINC001206549386 813349513 /nfs/dbraw/zinc/34/95/13/813349513.db2.gz MDRDIFUOPWFMGS-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP Cn1c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc2ccccc21 ZINC001206554527 813350832 /nfs/dbraw/zinc/35/08/32/813350832.db2.gz DSMOPDAPXNCEQZ-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP CCOc1cc(F)cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206572051 813357541 /nfs/dbraw/zinc/35/75/41/813357541.db2.gz ABDFDDABFKSARX-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206572051 813357547 /nfs/dbraw/zinc/35/75/47/813357547.db2.gz ABDFDDABFKSARX-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001206582583 813363244 /nfs/dbraw/zinc/36/32/44/813363244.db2.gz ODQUKIFHGOLJGR-GOSISDBHSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1F ZINC001206584186 813363379 /nfs/dbraw/zinc/36/33/79/813363379.db2.gz XKQQUUJJGRTKCR-MRXNPFEDSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206584328 813364536 /nfs/dbraw/zinc/36/45/36/813364536.db2.gz YJOHIUXJIOKPOM-KRWDZBQOSA-N 2 1 277.456 3.263 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206606148 813373286 /nfs/dbraw/zinc/37/32/86/813373286.db2.gz FPPZGMGSDUWKHF-OAHLLOKOSA-N 2 1 280.843 3.333 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCCC[C@@H](C[NH3+])C2)C1(C)C ZINC001206606246 813373582 /nfs/dbraw/zinc/37/35/82/813373582.db2.gz IBKZYNURLBKXOQ-HOTGVXAUSA-N 2 1 264.457 3.430 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001206615879 813375368 /nfs/dbraw/zinc/37/53/68/813375368.db2.gz JLWNIZCLGWKQDO-ZDUSSCGKSA-N 2 1 274.433 3.462 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206641270 813383343 /nfs/dbraw/zinc/38/33/43/813383343.db2.gz VNORUYGLTDUVGU-HNNXBMFYSA-N 2 1 268.404 3.352 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc2c(c1)C[N@@H+](C)CC2 ZINC001206754560 813423321 /nfs/dbraw/zinc/42/33/21/813423321.db2.gz IGFSGCPFYBQRAM-UHFFFAOYSA-N 2 1 296.418 3.188 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001206754560 813423327 /nfs/dbraw/zinc/42/33/27/813423327.db2.gz IGFSGCPFYBQRAM-UHFFFAOYSA-N 2 1 296.418 3.188 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001206760837 813426391 /nfs/dbraw/zinc/42/63/91/813426391.db2.gz MQYKZHAHECVKLO-UKRRQHHQSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001206767449 813430187 /nfs/dbraw/zinc/43/01/87/813430187.db2.gz BPJMZVXHKMBOJJ-GDBMZVCRSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1OC(C)C ZINC001206770141 813431821 /nfs/dbraw/zinc/43/18/21/813431821.db2.gz ROWUZCXNVWMPJA-JKSUJKDBSA-N 2 1 290.451 3.341 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)s1 ZINC001206769682 813432199 /nfs/dbraw/zinc/43/21/99/813432199.db2.gz PGCXDHSPFOICCQ-OLZOCXBDSA-N 2 1 266.454 3.260 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206771835 813433886 /nfs/dbraw/zinc/43/38/86/813433886.db2.gz YDXVTKQBAWNORN-JKSUJKDBSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1ncccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207150626 813498078 /nfs/dbraw/zinc/49/80/78/813498078.db2.gz BRSKSJBPQBTCAX-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1ncccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207150626 813498081 /nfs/dbraw/zinc/49/80/81/813498081.db2.gz BRSKSJBPQBTCAX-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP CC1=CC[C@@H](CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1(C)C ZINC001207277064 813532508 /nfs/dbraw/zinc/53/25/08/813532508.db2.gz QJBRKLSBFIDPBM-WMZOPIPTSA-N 2 1 276.468 3.397 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001207285916 813536743 /nfs/dbraw/zinc/53/67/43/813536743.db2.gz QJBNNPPTENQIAJ-MRXNPFEDSA-N 2 1 292.492 3.364 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001207285916 813536749 /nfs/dbraw/zinc/53/67/49/813536749.db2.gz QJBNNPPTENQIAJ-MRXNPFEDSA-N 2 1 292.492 3.364 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001207482634 813572909 /nfs/dbraw/zinc/57/29/09/813572909.db2.gz ZKNKVNWTTUUEAQ-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001207482313 813572942 /nfs/dbraw/zinc/57/29/42/813572942.db2.gz UDSLJACEOCWMSP-UHFFFAOYSA-N 2 1 274.399 3.086 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207597228 813606949 /nfs/dbraw/zinc/60/69/49/813606949.db2.gz INIOHKGUMZPYNN-UHFFFAOYSA-N 2 1 289.810 3.027 20 0 CGADMP Clc1ccc(CCC[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207597228 813606953 /nfs/dbraw/zinc/60/69/53/813606953.db2.gz INIOHKGUMZPYNN-UHFFFAOYSA-N 2 1 289.810 3.027 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001207835351 813656985 /nfs/dbraw/zinc/65/69/85/813656985.db2.gz BEVATHDADMYHBI-VPABYTGTSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001207836235 813658126 /nfs/dbraw/zinc/65/81/26/813658126.db2.gz HUKWPOWGGNCXIQ-DUFGSWQCSA-N 2 1 292.854 3.201 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001208105820 813692602 /nfs/dbraw/zinc/69/26/02/813692602.db2.gz CDWWXSKLJZSJIZ-QGZVFWFLSA-N 2 1 272.436 3.208 20 0 CGADMP Cc1cccc(CC[N@H+](C)CC2(C)CC[NH+](C)CC2)c1 ZINC001208114128 813695790 /nfs/dbraw/zinc/69/57/90/813695790.db2.gz RWZHNPGRUUVUOB-UHFFFAOYSA-N 2 1 274.452 3.201 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001208114437 813696461 /nfs/dbraw/zinc/69/64/61/813696461.db2.gz XCJWYFGVJOZILN-INIZCTEOSA-N 2 1 290.426 3.347 20 0 CGADMP C[NH+](C)CC1(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC001208192610 813737583 /nfs/dbraw/zinc/73/75/83/813737583.db2.gz VZIHZNDSQSYHAX-ZDUSSCGKSA-N 2 1 292.389 3.383 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC001208192610 813737590 /nfs/dbraw/zinc/73/75/90/813737590.db2.gz VZIHZNDSQSYHAX-ZDUSSCGKSA-N 2 1 292.389 3.383 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCc2cccc(F)c2)CC1 ZINC001208602804 813770551 /nfs/dbraw/zinc/77/05/51/813770551.db2.gz NSDHDOLSQOGGPY-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)c1 ZINC001208604085 813771144 /nfs/dbraw/zinc/77/11/44/813771144.db2.gz LADBITHQCHWIPX-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)c1 ZINC001208604085 813771147 /nfs/dbraw/zinc/77/11/47/813771147.db2.gz LADBITHQCHWIPX-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208604085 813771151 /nfs/dbraw/zinc/77/11/51/813771151.db2.gz LADBITHQCHWIPX-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208604085 813771153 /nfs/dbraw/zinc/77/11/53/813771153.db2.gz LADBITHQCHWIPX-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001208693846 813798586 /nfs/dbraw/zinc/79/85/86/813798586.db2.gz FCUWWLSCMQWDMC-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CCCc2ccccc2OC)CC1 ZINC001208841468 813861692 /nfs/dbraw/zinc/86/16/92/813861692.db2.gz DMTUPKHBLMDBCS-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CCCc2ccccc2OC)CC1 ZINC001208841468 813861701 /nfs/dbraw/zinc/86/17/01/813861701.db2.gz DMTUPKHBLMDBCS-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@H]1CCC=CO1 ZINC001208882093 813879321 /nfs/dbraw/zinc/87/93/21/813879321.db2.gz HSVOHSNUDUCCPY-ULQDDVLXSA-N 2 1 278.440 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC001208882093 813879329 /nfs/dbraw/zinc/87/93/29/813879329.db2.gz HSVOHSNUDUCCPY-ULQDDVLXSA-N 2 1 278.440 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC001208882093 813879339 /nfs/dbraw/zinc/87/93/39/813879339.db2.gz HSVOHSNUDUCCPY-ULQDDVLXSA-N 2 1 278.440 3.018 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208930444 813903167 /nfs/dbraw/zinc/90/31/67/813903167.db2.gz BFUYLTNNLSKQPY-AEFFLSMTSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208930444 813903170 /nfs/dbraw/zinc/90/31/70/813903170.db2.gz BFUYLTNNLSKQPY-AEFFLSMTSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208930444 813903177 /nfs/dbraw/zinc/90/31/77/813903177.db2.gz BFUYLTNNLSKQPY-AEFFLSMTSA-N 2 1 272.436 3.240 20 0 CGADMP CCOC(=[NH2+])c1cccc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242673576 823093897 /nfs/dbraw/zinc/09/38/97/823093897.db2.gz BNKAWZZVYBJKHQ-UHFFFAOYSA-N 2 1 266.344 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209429205 814029489 /nfs/dbraw/zinc/02/94/89/814029489.db2.gz VRXPEAFUEATVII-HUUCEWRRSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+](C)CC3CC[NH+](C)CC3)c2c1 ZINC001209497466 814064820 /nfs/dbraw/zinc/06/48/20/814064820.db2.gz RRVMRBCXZUWELK-UHFFFAOYSA-N 2 1 285.435 3.250 20 0 CGADMP C[NH+](C)Cc1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1 ZINC001209849080 814167215 /nfs/dbraw/zinc/16/72/15/814167215.db2.gz VWNMDNKDVCTCQB-UHFFFAOYSA-N 2 1 266.348 3.368 20 0 CGADMP C[NH2+]CC1C[NH+](C[C@@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001210560918 814526895 /nfs/dbraw/zinc/52/68/95/814526895.db2.gz DUNSDNFYKNXCIR-HNNXBMFYSA-N 2 1 274.452 3.140 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C[NH3+] ZINC001218485053 816239686 /nfs/dbraw/zinc/23/96/86/816239686.db2.gz YSWIXKKANPGBKZ-KXBFYZLASA-N 2 1 296.414 3.045 20 0 CGADMP CCc1cccc2c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c[nH]c21 ZINC001222148447 816359126 /nfs/dbraw/zinc/35/91/26/816359126.db2.gz PCZKSIASYVOFLK-IBGZPJMESA-N 2 1 297.446 3.306 20 0 CGADMP CS[C@@H](C)CC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153990 816361909 /nfs/dbraw/zinc/36/19/09/816361909.db2.gz FBIPSUALQSVJSU-JKSUJKDBSA-N 2 1 284.513 3.374 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC001222155218 816362921 /nfs/dbraw/zinc/36/29/21/816362921.db2.gz XYMSWRZDNDLLNY-QGZVFWFLSA-N 2 1 286.444 3.477 20 0 CGADMP c1ccc(CC[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222154810 816363472 /nfs/dbraw/zinc/36/34/72/816363472.db2.gz QZQZNVTYEORTCQ-LJQANCHMSA-N 2 1 286.463 3.475 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c21 ZINC001222242668 816385051 /nfs/dbraw/zinc/38/50/51/816385051.db2.gz GIQDMSVYEWPJKO-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c21 ZINC001222242668 816385059 /nfs/dbraw/zinc/38/50/59/816385059.db2.gz GIQDMSVYEWPJKO-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)sc1C ZINC001222272327 816392460 /nfs/dbraw/zinc/39/24/60/816392460.db2.gz RBMDTXMMOOIEGN-INIZCTEOSA-N 2 1 278.465 3.331 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222281992 816393051 /nfs/dbraw/zinc/39/30/51/816393051.db2.gz CSXNQYMOXRGRQI-IBGZPJMESA-N 2 1 280.415 3.476 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222281992 816393058 /nfs/dbraw/zinc/39/30/58/816393058.db2.gz CSXNQYMOXRGRQI-IBGZPJMESA-N 2 1 280.415 3.476 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308550 816403729 /nfs/dbraw/zinc/40/37/29/816403729.db2.gz JOVKFMYLOHONAT-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP CC1=CC[C@@H](CC[NH+]2CC3(C2)CCC[NH2+]C3)C1(C)C ZINC001222335235 816410960 /nfs/dbraw/zinc/41/09/60/816410960.db2.gz AVRHDSBUUGOWRD-HNNXBMFYSA-N 2 1 262.441 3.054 20 0 CGADMP c1ccc(CCCC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222346344 816415662 /nfs/dbraw/zinc/41/56/62/816415662.db2.gz QMMKTRJNOYJQOG-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222346344 816415665 /nfs/dbraw/zinc/41/56/65/816415665.db2.gz QMMKTRJNOYJQOG-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(C2(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)CC2)cc1 ZINC001222385464 816426559 /nfs/dbraw/zinc/42/65/59/816426559.db2.gz NXDLBIDJJDYYRV-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)CC2)cc1 ZINC001222385464 816426564 /nfs/dbraw/zinc/42/65/64/816426564.db2.gz NXDLBIDJJDYYRV-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP [NH3+]CC1(F)CC[NH+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001222532469 816462727 /nfs/dbraw/zinc/46/27/27/816462727.db2.gz MBQWYHMEHLDANL-UHFFFAOYSA-N 2 1 295.789 3.084 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615535 816478835 /nfs/dbraw/zinc/47/88/35/816478835.db2.gz QZMPWVDVVYZYRA-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222615197 816478967 /nfs/dbraw/zinc/47/89/67/816478967.db2.gz MXEGDEYULMDEHW-HDEZJCGLSA-N 2 1 290.838 3.127 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)cc1Cl ZINC001222629918 816483959 /nfs/dbraw/zinc/48/39/59/816483959.db2.gz RWOULSBIGWJBJQ-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP CC[N@H+]1CCC[C@H](O[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224136011 816739235 /nfs/dbraw/zinc/73/92/35/816739235.db2.gz YHJCIZBNNQHSOB-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP C1=C(c2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)C[NH2+]C1 ZINC001243111155 823250626 /nfs/dbraw/zinc/25/06/26/823250626.db2.gz NEEROTMUFINVEA-UHFFFAOYSA-N 2 1 276.383 3.189 20 0 CGADMP c1c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)[nH]c2cc[nH+]cc12 ZINC001232014555 818232539 /nfs/dbraw/zinc/23/25/39/818232539.db2.gz QLIMOYRDEJWTPH-QGZVFWFLSA-N 2 1 293.370 3.216 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](F)CC2)c1 ZINC001232145257 818263905 /nfs/dbraw/zinc/26/39/05/818263905.db2.gz ZRNQHNDYEUIUPC-HNNXBMFYSA-N 2 1 282.378 3.211 20 0 CGADMP CC[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232148418 818264713 /nfs/dbraw/zinc/26/47/13/818264713.db2.gz CJTFBCWPYJRQRG-CYBMUJFWSA-N 2 1 264.388 3.119 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CC(C)(C)C)c1 ZINC001232145831 818264740 /nfs/dbraw/zinc/26/47/40/818264740.db2.gz BNCLOZJYVXNWDA-UHFFFAOYSA-N 2 1 266.404 3.365 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(O)c2)CC1 ZINC001232883278 818463632 /nfs/dbraw/zinc/46/36/32/818463632.db2.gz JPROHUJQJYZZKX-UHFFFAOYSA-N 2 1 290.451 3.397 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(O)c2)CC1 ZINC001232883278 818463638 /nfs/dbraw/zinc/46/36/38/818463638.db2.gz JPROHUJQJYZZKX-UHFFFAOYSA-N 2 1 290.451 3.397 20 0 CGADMP Cc1cc(CN2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)sn1 ZINC001233312898 818574168 /nfs/dbraw/zinc/57/41/68/818574168.db2.gz SEUMZNIHAGNTJI-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)sn1 ZINC001233312898 818574174 /nfs/dbraw/zinc/57/41/74/818574174.db2.gz SEUMZNIHAGNTJI-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)sn1 ZINC001233312898 818574177 /nfs/dbraw/zinc/57/41/77/818574177.db2.gz SEUMZNIHAGNTJI-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)sn1 ZINC001233312898 818574181 /nfs/dbraw/zinc/57/41/81/818574181.db2.gz SEUMZNIHAGNTJI-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)sn1 ZINC001233312898 818574187 /nfs/dbraw/zinc/57/41/87/818574187.db2.gz SEUMZNIHAGNTJI-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP C[C@@H](CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)CC(C)(C)C ZINC001235016095 818978112 /nfs/dbraw/zinc/97/81/12/818978112.db2.gz BZFKXPOUEZYEMA-SOUVJXGZSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)CC(C)(C)C ZINC001235016095 818978117 /nfs/dbraw/zinc/97/81/17/818978117.db2.gz BZFKXPOUEZYEMA-SOUVJXGZSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032409 818984637 /nfs/dbraw/zinc/98/46/37/818984637.db2.gz LLYSHTAKCJEQEU-LJQANCHMSA-N 2 1 280.415 3.334 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235040524 818988456 /nfs/dbraw/zinc/98/84/56/818988456.db2.gz LJLKESOUROEULE-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235102547 819002782 /nfs/dbraw/zinc/00/27/82/819002782.db2.gz PBEBISBQBKXJRS-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235102547 819002784 /nfs/dbraw/zinc/00/27/84/819002784.db2.gz PBEBISBQBKXJRS-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP c1cc(C[N@H+]2CCCC23CC[NH2+]CC3)c2c(c1)CCCC2 ZINC001235144398 819015772 /nfs/dbraw/zinc/01/57/72/819015772.db2.gz KSSZWSMAGUJIHK-UHFFFAOYSA-N 2 1 284.447 3.283 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235150995 819017264 /nfs/dbraw/zinc/01/72/64/819017264.db2.gz CGCAZLLKPUBIAX-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1csc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235151706 819018250 /nfs/dbraw/zinc/01/82/50/819018250.db2.gz AJXVVELHMAYMEY-INIZCTEOSA-N 2 1 278.465 3.411 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1O ZINC001235160763 819019148 /nfs/dbraw/zinc/01/91/48/819019148.db2.gz ZAQDWDSWDWQAJC-KRWDZBQOSA-N 2 1 288.435 3.055 20 0 CGADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC001235165350 819019469 /nfs/dbraw/zinc/01/94/69/819019469.db2.gz IYDCGVXNAOYXBJ-AZUAARDMSA-N 2 1 292.426 3.242 20 0 CGADMP c1cnc2cccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001235169829 819022901 /nfs/dbraw/zinc/02/29/01/819022901.db2.gz ZBPFKTHABBQXDA-IBGZPJMESA-N 2 1 295.430 3.343 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001235169829 819022904 /nfs/dbraw/zinc/02/29/04/819022904.db2.gz ZBPFKTHABBQXDA-IBGZPJMESA-N 2 1 295.430 3.343 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001235241477 819046064 /nfs/dbraw/zinc/04/60/64/819046064.db2.gz WAQALDDIVKQZMR-RTBURBONSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001235241477 819046071 /nfs/dbraw/zinc/04/60/71/819046071.db2.gz WAQALDDIVKQZMR-RTBURBONSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc3sccc31)C2 ZINC001235248388 819047808 /nfs/dbraw/zinc/04/78/08/819047808.db2.gz SLIQTYZVSOWFDJ-CZUORRHYSA-N 2 1 272.417 3.215 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3sccc31)C2 ZINC001235248388 819047812 /nfs/dbraw/zinc/04/78/12/819047812.db2.gz SLIQTYZVSOWFDJ-CZUORRHYSA-N 2 1 272.417 3.215 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c(C)c1C ZINC001235256079 819050828 /nfs/dbraw/zinc/05/08/28/819050828.db2.gz PKSJXOPJNMEDRE-BQFCYCMXSA-N 2 1 272.436 3.150 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235260100 819055282 /nfs/dbraw/zinc/05/52/82/819055282.db2.gz NGAKLDRZNPOSKG-ALKREAHSSA-N 2 1 280.415 3.237 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc12 ZINC001235264701 819056861 /nfs/dbraw/zinc/05/68/61/819056861.db2.gz AKMJWAMAYFXCBR-KBXCAEBGSA-N 2 1 284.378 3.163 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc12 ZINC001235264701 819056870 /nfs/dbraw/zinc/05/68/70/819056870.db2.gz AKMJWAMAYFXCBR-KBXCAEBGSA-N 2 1 284.378 3.163 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362096 819079804 /nfs/dbraw/zinc/07/98/04/819079804.db2.gz KTFNILPDRRMJFG-PBHICJAKSA-N 2 1 260.425 3.022 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362096 819079808 /nfs/dbraw/zinc/07/98/08/819079808.db2.gz KTFNILPDRRMJFG-PBHICJAKSA-N 2 1 260.425 3.022 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399275 819084393 /nfs/dbraw/zinc/08/43/93/819084393.db2.gz AELFDZKKIBFWDY-HRCADAONSA-N 2 1 270.436 3.226 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235403732 819085600 /nfs/dbraw/zinc/08/56/00/819085600.db2.gz LGPCBQZXGJXYIF-ZWKOTPCHSA-N 2 1 290.426 3.334 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235403732 819085609 /nfs/dbraw/zinc/08/56/09/819085609.db2.gz LGPCBQZXGJXYIF-ZWKOTPCHSA-N 2 1 290.426 3.334 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)s1 ZINC001235406224 819087836 /nfs/dbraw/zinc/08/78/36/819087836.db2.gz QJQTWVUQGSBPBN-CVEARBPZSA-N 2 1 296.455 3.224 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)s1 ZINC001235406224 819087842 /nfs/dbraw/zinc/08/78/42/819087842.db2.gz QJQTWVUQGSBPBN-CVEARBPZSA-N 2 1 296.455 3.224 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1 ZINC001235406829 819088463 /nfs/dbraw/zinc/08/84/63/819088463.db2.gz RBEQMXHNWXKJSS-ZWKOTPCHSA-N 2 1 290.426 3.135 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC001235431230 819094386 /nfs/dbraw/zinc/09/43/86/819094386.db2.gz MUUMOXUEMMWWKD-HOTGVXAUSA-N 2 1 278.465 3.268 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235435286 819097771 /nfs/dbraw/zinc/09/77/71/819097771.db2.gz HEIFKNSLAVWFJJ-UHFFFAOYSA-N 2 1 273.424 3.246 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235662881 819131636 /nfs/dbraw/zinc/13/16/36/819131636.db2.gz CTYAXVXOFLZTHZ-QGZVFWFLSA-N 2 1 260.425 3.288 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001235679858 819139715 /nfs/dbraw/zinc/13/97/15/819139715.db2.gz OKTRJSCHIVVBKX-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001235679858 819139718 /nfs/dbraw/zinc/13/97/18/819139718.db2.gz OKTRJSCHIVVBKX-IRXDYDNUSA-N 2 1 258.409 3.274 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235713492 819148355 /nfs/dbraw/zinc/14/83/55/819148355.db2.gz BLSCOTMSCQEBDX-GOSISDBHSA-N 2 1 298.474 3.331 20 0 CGADMP Cc1ccc2nc(C[N@@H+](C)CCC3CC[NH2+]CC3)ccc2c1 ZINC001235712788 819149058 /nfs/dbraw/zinc/14/90/58/819149058.db2.gz CIIFGJFAENHRGK-UHFFFAOYSA-N 2 1 297.446 3.365 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c(C)c1 ZINC001235717277 819149724 /nfs/dbraw/zinc/14/97/24/819149724.db2.gz QGMCNNJNWDZTLC-UHFFFAOYSA-N 2 1 290.451 3.134 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2cccc3c2ccn3CC)CC1 ZINC001235724978 819154032 /nfs/dbraw/zinc/15/40/32/819154032.db2.gz GFGOCARKJSZSPM-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001235726062 819154735 /nfs/dbraw/zinc/15/47/35/819154735.db2.gz MDHIIOIWUQKIRI-MAUKXSAKSA-N 2 1 288.435 3.222 20 0 CGADMP CC[N@@H+](Cc1cccc(OC(C)(C)C)c1)C1CC[NH2+]CC1 ZINC001235764901 819163604 /nfs/dbraw/zinc/16/36/04/819163604.db2.gz PNLNYUCSIMKTQO-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP CCCC[NH+](CCCC)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235834005 819179003 /nfs/dbraw/zinc/17/90/03/819179003.db2.gz HQHBZXTVANRQEQ-AWEZNQCLSA-N 2 1 256.434 3.003 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c(C)c1C ZINC001235842836 819185471 /nfs/dbraw/zinc/18/54/71/819185471.db2.gz RVPBUGHUBHYIGG-QGZVFWFLSA-N 2 1 274.452 3.270 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925710 819224829 /nfs/dbraw/zinc/22/48/29/819224829.db2.gz XYXQXZKDLCMSQS-KRWDZBQOSA-N 2 1 260.425 3.166 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)o1 ZINC001235937493 819231871 /nfs/dbraw/zinc/23/18/71/819231871.db2.gz IFIZVNZQENBHBX-QZTJIDSGSA-N 2 1 296.414 3.296 20 0 CGADMP COCCC[N@@H+](C[C@H]1CCC(C)=C[C@@H]1C)C1CC[NH2+]CC1 ZINC001235935930 819232070 /nfs/dbraw/zinc/23/20/70/819232070.db2.gz NAZCGLKQBDFGRK-DLBZAZTESA-N 2 1 294.483 3.069 20 0 CGADMP CC1(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]CC1 ZINC001235936081 819232685 /nfs/dbraw/zinc/23/26/85/819232685.db2.gz ZWIJLLHDMZKGMT-OAHLLOKOSA-N 2 1 276.399 3.005 20 0 CGADMP c1ccc(CC[N@H+](Cc2ccccc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235948621 819237249 /nfs/dbraw/zinc/23/72/49/819237249.db2.gz RGCANXFTOFUGRK-HXUWFJFHSA-N 2 1 294.442 3.341 20 0 CGADMP CC[C@@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001235949884 819240660 /nfs/dbraw/zinc/24/06/60/819240660.db2.gz WSEDGBIBWCHMSF-GFCCVEGCSA-N 2 1 264.438 3.016 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1C(C)C ZINC001235950442 819241895 /nfs/dbraw/zinc/24/18/95/819241895.db2.gz GANBTYRMWUKDCV-INIZCTEOSA-N 2 1 290.451 3.250 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@@H+]1CCCCC12CC2 ZINC001235958831 819246883 /nfs/dbraw/zinc/24/68/83/819246883.db2.gz BBRLAVGSWNVWHK-UHFFFAOYSA-N 2 1 250.430 3.317 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCCCC12CC2 ZINC001235958831 819246889 /nfs/dbraw/zinc/24/68/89/819246889.db2.gz BBRLAVGSWNVWHK-UHFFFAOYSA-N 2 1 250.430 3.317 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001235958845 819247036 /nfs/dbraw/zinc/24/70/36/819247036.db2.gz BFXHTVPWOUCLCS-NVXWUHKLSA-N 2 1 260.425 3.459 20 0 CGADMP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC12CC([NH3+])(C1)C2 ZINC001235962774 819250869 /nfs/dbraw/zinc/25/08/69/819250869.db2.gz PNYWZYFJTPWDSX-JUVOFCAFSA-N 2 1 280.456 3.131 20 0 CGADMP CCCCC[NH+](CCCCC)Cc1cn2c(n1)C[NH2+]CC2 ZINC001235963802 819253110 /nfs/dbraw/zinc/25/31/10/819253110.db2.gz SQKWCVMKXFJUER-UHFFFAOYSA-N 2 1 292.471 3.169 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235977629 819256368 /nfs/dbraw/zinc/25/63/68/819256368.db2.gz GZJVVBSAYPFWIE-WBMJQRKESA-N 2 1 272.417 3.133 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235977629 819256374 /nfs/dbraw/zinc/25/63/74/819256374.db2.gz GZJVVBSAYPFWIE-WBMJQRKESA-N 2 1 272.417 3.133 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235985466 819260173 /nfs/dbraw/zinc/26/01/73/819260173.db2.gz CDSOWCJEROZLBD-HKUYNNGSSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235985466 819260181 /nfs/dbraw/zinc/26/01/81/819260181.db2.gz CDSOWCJEROZLBD-HKUYNNGSSA-N 2 1 296.389 3.416 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001236059815 819292586 /nfs/dbraw/zinc/29/25/86/819292586.db2.gz MFASBAPEFMYSIP-INIZCTEOSA-N 2 1 276.399 3.088 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)c2cccc3ccccc32)C1 ZINC001236065658 819296786 /nfs/dbraw/zinc/29/67/86/819296786.db2.gz CFSHXCCQRBMYES-HOTGVXAUSA-N 2 1 282.431 3.485 20 0 CGADMP Clc1cccc2c1C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC001236079439 819305518 /nfs/dbraw/zinc/30/55/18/819305518.db2.gz SANPZNYGODIJQC-UHFFFAOYSA-N 2 1 278.827 3.088 20 0 CGADMP CC1(C)C[N@@H+](CC[C@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001236085400 819307250 /nfs/dbraw/zinc/30/72/50/819307250.db2.gz PTSHZAAOSWZGJR-MRXNPFEDSA-N 2 1 272.436 3.312 20 0 CGADMP CCCOc1ccccc1C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC001236182514 819360902 /nfs/dbraw/zinc/36/09/02/819360902.db2.gz QANDLWCIMVJLNF-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]CC1 ZINC001236189833 819363315 /nfs/dbraw/zinc/36/33/15/819363315.db2.gz OVVURWDECGAVQN-OAHLLOKOSA-N 2 1 294.389 3.491 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213660 819376523 /nfs/dbraw/zinc/37/65/23/819376523.db2.gz OJCCMGOOJSFMFH-RBUKOAKNSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213660 819376533 /nfs/dbraw/zinc/37/65/33/819376533.db2.gz OJCCMGOOJSFMFH-RBUKOAKNSA-N 2 1 295.430 3.450 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])ccc2n1 ZINC001236214838 819378705 /nfs/dbraw/zinc/37/87/05/819378705.db2.gz FRKZZJRXTHAHIC-SJLPKXTDSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])ccc2n1 ZINC001236214838 819378708 /nfs/dbraw/zinc/37/87/08/819378708.db2.gz FRKZZJRXTHAHIC-SJLPKXTDSA-N 2 1 283.419 3.245 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC001236217374 819383061 /nfs/dbraw/zinc/38/30/61/819383061.db2.gz OQPZZYUGEBVWBN-IAGOWNOFSA-N 2 1 290.451 3.322 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC001236217374 819383062 /nfs/dbraw/zinc/38/30/62/819383062.db2.gz OQPZZYUGEBVWBN-IAGOWNOFSA-N 2 1 290.451 3.322 20 0 CGADMP C[N@H+](Cc1ccccc1C1CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218503 819383948 /nfs/dbraw/zinc/38/39/48/819383948.db2.gz SINUQJPPLJSUJY-SJORKVTESA-N 2 1 258.409 3.266 20 0 CGADMP C[N@@H+](Cc1ccccc1C1CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218503 819383952 /nfs/dbraw/zinc/38/39/52/819383952.db2.gz SINUQJPPLJSUJY-SJORKVTESA-N 2 1 258.409 3.266 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccn2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219133 819386362 /nfs/dbraw/zinc/38/63/62/819386362.db2.gz UZDXLUXFOGWXNS-MJGOQNOKSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccn2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219133 819386367 /nfs/dbraw/zinc/38/63/67/819386367.db2.gz UZDXLUXFOGWXNS-MJGOQNOKSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](CCCCCc1ccccc1)C1(C)CC[NH2+]CC1 ZINC001236224361 819389592 /nfs/dbraw/zinc/38/95/92/819389592.db2.gz TXTHHMDRLPRAAR-UHFFFAOYSA-N 2 1 274.452 3.473 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236245303 819402958 /nfs/dbraw/zinc/40/29/58/819402958.db2.gz SJIFBFRPPBRGSC-GOEBONIOSA-N 2 1 296.405 3.308 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236245303 819402962 /nfs/dbraw/zinc/40/29/62/819402962.db2.gz SJIFBFRPPBRGSC-GOEBONIOSA-N 2 1 296.405 3.308 20 0 CGADMP [NH3+]CCCC[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001236265753 819410103 /nfs/dbraw/zinc/41/01/03/819410103.db2.gz LKGGZGFVXWWFSJ-UHFFFAOYSA-N 2 1 278.465 3.123 20 0 CGADMP C[N@@H+](CCc1ccccc1F)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236266367 819410282 /nfs/dbraw/zinc/41/02/82/819410282.db2.gz QSEMUMSOKALTGG-UHFFFAOYSA-N 2 1 298.405 3.146 20 0 CGADMP CC[N@@H+](CCC[NH2+]C)Cc1cccc(C(F)(F)F)c1 ZINC001236286705 819413752 /nfs/dbraw/zinc/41/37/52/819413752.db2.gz NVUTTYYBLQCSLQ-UHFFFAOYSA-N 2 1 274.330 3.137 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)s1 ZINC001236315078 819420747 /nfs/dbraw/zinc/42/07/47/819420747.db2.gz JPGDWDPVMASQPD-OKILXGFUSA-N 2 1 278.465 3.132 20 0 CGADMP c1ccc(C2(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)CCCC2)cc1 ZINC001236314176 819421180 /nfs/dbraw/zinc/42/11/80/819421180.db2.gz JLZIDDHWLIKDFX-HDICACEKSA-N 2 1 298.474 3.430 20 0 CGADMP Clc1cccc(CCC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314023 819421232 /nfs/dbraw/zinc/42/12/32/819421232.db2.gz GLPQADIXFGBNAL-IYBDPMFKSA-N 2 1 292.854 3.204 20 0 CGADMP Fc1ccccc1C[N@H+](CCC1CC1)C1CC[NH2+]CC1 ZINC001236368964 819438130 /nfs/dbraw/zinc/43/81/30/819438130.db2.gz WXODVUBSEFQRKI-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP Fc1ccccc1C[N@@H+](CCC1CC1)C1CC[NH2+]CC1 ZINC001236368964 819438134 /nfs/dbraw/zinc/43/81/34/819438134.db2.gz WXODVUBSEFQRKI-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236375047 819442200 /nfs/dbraw/zinc/44/22/00/819442200.db2.gz UUTVNHAWABSECR-QGZVFWFLSA-N 2 1 272.436 3.431 20 0 CGADMP CC[N@H+](Cc1cc(OC(C)C)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236410144 819457919 /nfs/dbraw/zinc/45/79/19/819457919.db2.gz DTJLOENCIWVKBF-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(C)ccc2ccccc21 ZINC001236417056 819462298 /nfs/dbraw/zinc/46/22/98/819462298.db2.gz IKSQXYCONPKQBD-MRXNPFEDSA-N 2 1 268.404 3.332 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(C)ccc2ccccc21 ZINC001236417056 819462303 /nfs/dbraw/zinc/46/23/03/819462303.db2.gz IKSQXYCONPKQBD-MRXNPFEDSA-N 2 1 268.404 3.332 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236420701 819467243 /nfs/dbraw/zinc/46/72/43/819467243.db2.gz QKVWPVLCJZFEMV-AUUYWEPGSA-N 2 1 296.414 3.371 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236420701 819467247 /nfs/dbraw/zinc/46/72/47/819467247.db2.gz QKVWPVLCJZFEMV-AUUYWEPGSA-N 2 1 296.414 3.371 20 0 CGADMP Cc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236472958 819492829 /nfs/dbraw/zinc/49/28/29/819492829.db2.gz FVTCRHBWMWZYDL-MRXNPFEDSA-N 2 1 278.415 3.344 20 0 CGADMP Cc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236472958 819492833 /nfs/dbraw/zinc/49/28/33/819492833.db2.gz FVTCRHBWMWZYDL-MRXNPFEDSA-N 2 1 278.415 3.344 20 0 CGADMP CC(C)C[N@@H+](Cc1ccc(N)c(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554157 819535542 /nfs/dbraw/zinc/53/55/42/819535542.db2.gz CVVVGXBTLUFRRI-SHTZXODSSA-N 2 1 293.430 3.136 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CC3)cc2c1 ZINC001236598593 819549007 /nfs/dbraw/zinc/54/90/07/819549007.db2.gz LFPUHOMXHZMESA-HNNXBMFYSA-N 2 1 297.446 3.440 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)cc2c1 ZINC001236598593 819549010 /nfs/dbraw/zinc/54/90/10/819549010.db2.gz LFPUHOMXHZMESA-HNNXBMFYSA-N 2 1 297.446 3.440 20 0 CGADMP Cc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc(F)c1F ZINC001236601977 819550975 /nfs/dbraw/zinc/55/09/75/819550975.db2.gz RKLRMLWDCNGPIE-CYBMUJFWSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc(F)c1F ZINC001236601977 819550981 /nfs/dbraw/zinc/55/09/81/819550981.db2.gz RKLRMLWDCNGPIE-CYBMUJFWSA-N 2 1 294.389 3.237 20 0 CGADMP c1cc2c(c(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c1)CCC2 ZINC001236606331 819551134 /nfs/dbraw/zinc/55/11/34/819551134.db2.gz TXRCUKIOFVZDPG-HNNXBMFYSA-N 2 1 284.447 3.139 20 0 CGADMP Clc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236635034 819556343 /nfs/dbraw/zinc/55/63/43/819556343.db2.gz ZZHMGIVUCCOFJM-UHFFFAOYSA-N 2 1 278.827 3.447 20 0 CGADMP CC(C)(CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC001236819374 819605516 /nfs/dbraw/zinc/60/55/16/819605516.db2.gz NDUQSINMHDVMJR-UAGQMJEPSA-N 2 1 272.436 3.023 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC(C)=C[C@@H]1C ZINC001236825897 819608225 /nfs/dbraw/zinc/60/82/25/819608225.db2.gz AYUGCEJUBMKFGZ-GVDBMIGSSA-N 2 1 264.457 3.300 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236842958 819618770 /nfs/dbraw/zinc/61/87/70/819618770.db2.gz IIUCHUJQDQLAIW-QGZVFWFLSA-N 2 1 274.452 3.433 20 0 CGADMP CCC[N@H+](Cc1c2ccoc2ccc1F)C[C@H]1CC[NH2+]C1 ZINC001236843801 819619088 /nfs/dbraw/zinc/61/90/88/819619088.db2.gz LPXARDHWJDSPQR-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)CC[C@H](C)CCCC(C)(C)OC ZINC001236860457 819624906 /nfs/dbraw/zinc/62/49/06/819624906.db2.gz PNUIMQXYGLBYCU-CABCVRRESA-N 2 1 272.477 3.277 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)CCCC[NH3+] ZINC001237056910 819654127 /nfs/dbraw/zinc/65/41/27/819654127.db2.gz AJFOGBYLANUDKT-LLVKDONJSA-N 2 1 285.229 3.181 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237060139 819656744 /nfs/dbraw/zinc/65/67/44/819656744.db2.gz XSPXTQRBRHGIMN-SFHVURJKSA-N 2 1 290.451 3.426 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237108711 819670453 /nfs/dbraw/zinc/67/04/53/819670453.db2.gz OJWQNMWBTKOVIX-MOPGFXCFSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237108711 819670455 /nfs/dbraw/zinc/67/04/55/819670455.db2.gz OJWQNMWBTKOVIX-MOPGFXCFSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237108711 819670457 /nfs/dbraw/zinc/67/04/57/819670457.db2.gz OJWQNMWBTKOVIX-MOPGFXCFSA-N 2 1 284.447 3.338 20 0 CGADMP C[C@@H]1C[C@H](N)C[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001237204846 819698295 /nfs/dbraw/zinc/69/82/95/819698295.db2.gz UQAJVNYQIJTZJT-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1C[C@H](N)C[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001237204846 819698297 /nfs/dbraw/zinc/69/82/97/819698297.db2.gz UQAJVNYQIJTZJT-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001237204846 819698301 /nfs/dbraw/zinc/69/83/01/819698301.db2.gz UQAJVNYQIJTZJT-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCc1cccc(C(F)(F)F)c1 ZINC001237204846 819698304 /nfs/dbraw/zinc/69/83/04/819698304.db2.gz UQAJVNYQIJTZJT-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001237250987 819710624 /nfs/dbraw/zinc/71/06/24/819710624.db2.gz ZRSHZXYHFCRZRL-IBGZPJMESA-N 2 1 298.405 3.492 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(O)cc(F)c2)CC1 ZINC001237279918 819716090 /nfs/dbraw/zinc/71/60/90/819716090.db2.gz WCNHFSAFINMTGT-UHFFFAOYSA-N 2 1 294.414 3.084 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1(C)C ZINC001237374713 819736541 /nfs/dbraw/zinc/73/65/41/819736541.db2.gz ILOQHTGCPQEUHG-ZACQAIPSSA-N 2 1 276.468 3.443 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1(C)C ZINC001237374713 819736550 /nfs/dbraw/zinc/73/65/50/819736550.db2.gz ILOQHTGCPQEUHG-ZACQAIPSSA-N 2 1 276.468 3.443 20 0 CGADMP Clc1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237382695 819737786 /nfs/dbraw/zinc/73/77/86/819737786.db2.gz MRLNUAVKTCDOCC-RDJZCZTQSA-N 2 1 292.854 3.347 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395118 819744246 /nfs/dbraw/zinc/74/42/46/819744246.db2.gz XDWOYMDOLMOICV-AEFFLSMTSA-N 2 1 297.446 3.235 20 0 CGADMP CC[N@@H+]1CC=C(c2cnc(C=C3CC[NH2+]CC3)c(C)c2)CC1 ZINC001240874427 821382790 /nfs/dbraw/zinc/38/27/90/821382790.db2.gz RDWAXSBUUVOTQF-UHFFFAOYSA-N 2 1 297.446 3.266 20 0 CGADMP C[N@@H+]1CC=C(c2ccc(C[NH+]3CCCC3)c(F)c2)CC1 ZINC001241331411 821737973 /nfs/dbraw/zinc/73/79/73/821737973.db2.gz AFXFBBIIWRKQDP-UHFFFAOYSA-N 2 1 274.383 3.140 20 0 CGADMP CC[NH+]1CCCC[C@H]1c1ccc(C2=CCC[N@@H+](C)C2)nc1 ZINC001241569355 821953856 /nfs/dbraw/zinc/95/38/56/821953856.db2.gz VRTKBGKRXSRRPR-SFHVURJKSA-N 2 1 285.435 3.347 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3F)CC1 ZINC001339038879 936345882 /nfs/dbraw/zinc/34/58/82/936345882.db2.gz AZEBIRSKTDMWCV-DYVFJYSZSA-N 2 1 276.399 3.229 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3F)CC1 ZINC001339038879 936345887 /nfs/dbraw/zinc/34/58/87/936345887.db2.gz AZEBIRSKTDMWCV-DYVFJYSZSA-N 2 1 276.399 3.229 20 0 CGADMP COc1ccc(C[C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC001341476380 936439275 /nfs/dbraw/zinc/43/92/75/936439275.db2.gz RJEBSORIMSSDSY-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccc(C[C@@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001341476380 936439277 /nfs/dbraw/zinc/43/92/77/936439277.db2.gz RJEBSORIMSSDSY-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccc(C[C@@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001341476380 936439280 /nfs/dbraw/zinc/43/92/80/936439280.db2.gz RJEBSORIMSSDSY-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)C1CC[NH+](CCSC(C)(C)C)CC1 ZINC001344707346 936542142 /nfs/dbraw/zinc/54/21/42/936542142.db2.gz QCWXDQKCPVFIKW-UHFFFAOYSA-N 2 1 272.502 3.324 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC001353900515 937081120 /nfs/dbraw/zinc/08/11/20/937081120.db2.gz YMIVWMZBMFCBDU-ZDUSSCGKSA-N 2 1 296.842 3.311 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC001353900515 937081124 /nfs/dbraw/zinc/08/11/24/937081124.db2.gz YMIVWMZBMFCBDU-ZDUSSCGKSA-N 2 1 296.842 3.311 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)c(C)o2)C1 ZINC001116927673 927963612 /nfs/dbraw/zinc/96/36/12/927963612.db2.gz ANQKEHMHLDHXPO-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)c(C)o2)C1 ZINC001116927673 927963629 /nfs/dbraw/zinc/96/36/29/927963629.db2.gz ANQKEHMHLDHXPO-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550540444 928285784 /nfs/dbraw/zinc/28/57/84/928285784.db2.gz DPLWKHGQIAVUKJ-BPLDGKMQSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540444 928285797 /nfs/dbraw/zinc/28/57/97/928285797.db2.gz DPLWKHGQIAVUKJ-BPLDGKMQSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540444 928285812 /nfs/dbraw/zinc/28/58/12/928285812.db2.gz DPLWKHGQIAVUKJ-BPLDGKMQSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[C@@H](C)C1 ZINC001460254201 937522822 /nfs/dbraw/zinc/52/28/22/937522822.db2.gz SOEMLMCSPQNERV-QKPAOTATSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C(C)(C)C ZINC001460710904 937540863 /nfs/dbraw/zinc/54/08/63/937540863.db2.gz QJWXKIOORBNAJA-CABCVRRESA-N 2 1 275.440 3.274 20 0 CGADMP CCc1nc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000098170556 931994647 /nfs/dbraw/zinc/99/46/47/931994647.db2.gz PQIDAFCXUJMMIZ-CQSZACIVSA-N 2 1 295.496 3.307 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC001461034375 937560775 /nfs/dbraw/zinc/56/07/75/937560775.db2.gz CCKSWNGLHLQJST-UHFFFAOYSA-N 2 1 268.832 3.468 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC001461034375 937560777 /nfs/dbraw/zinc/56/07/77/937560777.db2.gz CCKSWNGLHLQJST-UHFFFAOYSA-N 2 1 268.832 3.468 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C)s3)[C@@H]2C1 ZINC001461828067 937599960 /nfs/dbraw/zinc/59/99/60/937599960.db2.gz HYSFUMQXSAGTNR-NWANDNLSSA-N 2 1 292.492 3.475 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001461860988 937602943 /nfs/dbraw/zinc/60/29/43/937602943.db2.gz JMEICENYBQBNPC-SJLPKXTDSA-N 2 1 287.451 3.035 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001461860988 937602944 /nfs/dbraw/zinc/60/29/44/937602944.db2.gz JMEICENYBQBNPC-SJLPKXTDSA-N 2 1 287.451 3.035 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001461860988 937602947 /nfs/dbraw/zinc/60/29/47/937602947.db2.gz JMEICENYBQBNPC-SJLPKXTDSA-N 2 1 287.451 3.035 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@]1(C)CCCCO1 ZINC001462196659 937624105 /nfs/dbraw/zinc/62/41/05/937624105.db2.gz ABCHCVRTBPOXLM-QGZVFWFLSA-N 2 1 293.455 3.117 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@]1(C)CCCCO1 ZINC001462196659 937624106 /nfs/dbraw/zinc/62/41/06/937624106.db2.gz ABCHCVRTBPOXLM-QGZVFWFLSA-N 2 1 293.455 3.117 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307986563 933030735 /nfs/dbraw/zinc/03/07/35/933030735.db2.gz AVAAWKPBFKKUFJ-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@H](C)CCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307986563 933030737 /nfs/dbraw/zinc/03/07/37/933030737.db2.gz AVAAWKPBFKKUFJ-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@H](C)CCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307986563 933030742 /nfs/dbraw/zinc/03/07/42/933030742.db2.gz AVAAWKPBFKKUFJ-XHSDSOJGSA-N 2 1 252.446 3.086 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308122212 933053029 /nfs/dbraw/zinc/05/30/29/933053029.db2.gz VLQXGPHEVLSUFM-IKGGRYGDSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308122212 933053032 /nfs/dbraw/zinc/05/30/32/933053032.db2.gz VLQXGPHEVLSUFM-IKGGRYGDSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308122212 933053038 /nfs/dbraw/zinc/05/30/38/933053038.db2.gz VLQXGPHEVLSUFM-IKGGRYGDSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308122212 933053040 /nfs/dbraw/zinc/05/30/40/933053040.db2.gz VLQXGPHEVLSUFM-IKGGRYGDSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](C)C[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001308226509 933075857 /nfs/dbraw/zinc/07/58/57/933075857.db2.gz OJFLUEODWCZUPI-SOUVJXGZSA-N 2 1 254.462 3.379 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001308261912 933082677 /nfs/dbraw/zinc/08/26/77/933082677.db2.gz XBOAUEAWMXBXHW-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC001308552323 933130362 /nfs/dbraw/zinc/13/03/62/933130362.db2.gz BJRFRDDKVHJYIT-NJZAAPMLSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC001308552323 933130363 /nfs/dbraw/zinc/13/03/63/933130363.db2.gz BJRFRDDKVHJYIT-NJZAAPMLSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC001308553200 933130446 /nfs/dbraw/zinc/13/04/46/933130446.db2.gz IOXDZUFHGSYPHV-GZBFAFLISA-N 2 1 298.352 3.135 20 0 CGADMP CC[C@H]1CCCC[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001308585738 933138539 /nfs/dbraw/zinc/13/85/39/933138539.db2.gz IXBFFLYEUDFOJK-DLBZAZTESA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC001308717658 933164782 /nfs/dbraw/zinc/16/47/82/933164782.db2.gz IFBMUYONZPFIBJ-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001308847605 933188927 /nfs/dbraw/zinc/18/89/27/933188927.db2.gz LKENQOJGCUWKGF-HOTGVXAUSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC001308970706 933217682 /nfs/dbraw/zinc/21/76/82/933217682.db2.gz NCKBLPMNIKLDEH-OAHLLOKOSA-N 2 1 290.451 3.072 20 0 CGADMP CCOc1ccccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001319190898 933838940 /nfs/dbraw/zinc/83/89/40/933838940.db2.gz UFVUUXNKUGIVAH-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC001319190898 933838945 /nfs/dbraw/zinc/83/89/45/933838945.db2.gz UFVUUXNKUGIVAH-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001319282512 933852302 /nfs/dbraw/zinc/85/23/02/933852302.db2.gz MSCOBGOPJKFKTN-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319395804 933867716 /nfs/dbraw/zinc/86/77/16/933867716.db2.gz YJKKDDSNGLSRQH-YUELXQCFSA-N 2 1 266.454 3.142 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)nc2C)C1 ZINC001319743182 933925746 /nfs/dbraw/zinc/92/57/46/933925746.db2.gz FQOVHYXEBCAGTR-HOCLYGCPSA-N 2 1 275.440 3.081 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC)C2)s1 ZINC001319755774 933926901 /nfs/dbraw/zinc/92/69/01/933926901.db2.gz SWWYZJNQRLPGIU-OCCSQVGLSA-N 2 1 295.496 3.396 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CCSCc1ccccc1 ZINC001321264054 934170413 /nfs/dbraw/zinc/17/04/13/934170413.db2.gz UVDUHURLIHOECR-IAGOWNOFSA-N 2 1 292.492 3.382 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001321409821 934183438 /nfs/dbraw/zinc/18/34/38/934183438.db2.gz DVOXXYVYVKNPMY-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001321409821 934183441 /nfs/dbraw/zinc/18/34/41/934183441.db2.gz DVOXXYVYVKNPMY-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC001322474275 934303164 /nfs/dbraw/zinc/30/31/64/934303164.db2.gz CJWQXROJHRHKSE-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001322641957 934322695 /nfs/dbraw/zinc/32/26/95/934322695.db2.gz FTHVRGVEZBHIAK-QXSJWSMHSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(OC)c1 ZINC001323761119 934423522 /nfs/dbraw/zinc/42/35/22/934423522.db2.gz OXOZADMEGQGOJF-UHFFFAOYSA-N 2 1 294.414 3.142 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(OC)c1 ZINC001323761119 934423529 /nfs/dbraw/zinc/42/35/29/934423529.db2.gz OXOZADMEGQGOJF-UHFFFAOYSA-N 2 1 294.414 3.142 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCCC1(C)C ZINC001473182362 937795706 /nfs/dbraw/zinc/79/57/06/937795706.db2.gz BOUOUGHVMLVPHD-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CCCCC1(C)C ZINC001473182362 937795708 /nfs/dbraw/zinc/79/57/08/937795708.db2.gz BOUOUGHVMLVPHD-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCCC1(C)C ZINC001473182362 937795710 /nfs/dbraw/zinc/79/57/10/937795710.db2.gz BOUOUGHVMLVPHD-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP Fc1cccc(Cl)c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001325279727 934900511 /nfs/dbraw/zinc/90/05/11/934900511.db2.gz YXCFATRBIDARPW-STQMWFEESA-N 2 1 296.817 3.238 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC001325743592 934925762 /nfs/dbraw/zinc/92/57/62/934925762.db2.gz PMOQGLZTMNAAER-NXEZZACHSA-N 2 1 258.768 3.128 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)c1cc(Cl)ccc1OC ZINC001326036549 934946147 /nfs/dbraw/zinc/94/61/47/934946147.db2.gz QZFRTXRFNAONRH-SMDDNHRTSA-N 2 1 284.831 3.387 20 0 CGADMP CC[C@H]([NH2+]CCc1coc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]1 ZINC001326039773 934946235 /nfs/dbraw/zinc/94/62/35/934946235.db2.gz UDOMTTZPLRROSO-IRXDYDNUSA-N 2 1 299.418 3.004 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC001327754755 935082706 /nfs/dbraw/zinc/08/27/06/935082706.db2.gz JIEMSRRNNVPDFM-GFCCVEGCSA-N 2 1 264.438 3.331 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329499025 935220760 /nfs/dbraw/zinc/22/07/60/935220760.db2.gz MBRNBYGMOLCPTH-ZDUSSCGKSA-N 2 1 294.389 3.491 20 0 CGADMP CCOc1cccc2cc([C@H](C)[NH2+]CC[C@H](C)[NH2+]C)oc21 ZINC001331835918 935412806 /nfs/dbraw/zinc/41/28/06/935412806.db2.gz TXENWZLRDAROHK-STQMWFEESA-N 2 1 290.407 3.480 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC001331834677 935412861 /nfs/dbraw/zinc/41/28/61/935412861.db2.gz NDYQUPARXMHOLS-WBMJQRKESA-N 2 1 264.413 3.407 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC001331834671 935413558 /nfs/dbraw/zinc/41/35/58/935413558.db2.gz NDYQUPARXMHOLS-BLLLJJGKSA-N 2 1 264.413 3.407 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC001333161703 935515003 /nfs/dbraw/zinc/51/50/03/935515003.db2.gz RKONTRDPLYNFHS-HNNXBMFYSA-N 2 1 266.454 3.253 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3Cc4ccccc4C3)C[C@H]2C1 ZINC001333891041 936074053 /nfs/dbraw/zinc/07/40/53/936074053.db2.gz IPJPAYCFIBCIQJ-VAMGGRTRSA-N 2 1 298.474 3.064 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001333891958 936074156 /nfs/dbraw/zinc/07/41/56/936074156.db2.gz NMKGGLJOSDWEMF-LZLYRXPVSA-N 2 1 290.426 3.296 20 0 CGADMP FC1(F)[C@@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C[C@@H]21 ZINC001336270419 936185474 /nfs/dbraw/zinc/18/54/74/936185474.db2.gz IRPJGZOWRXMMBT-SCURXYEPSA-N 2 1 296.405 3.168 20 0 CGADMP C[C@@H]1C[C@H](CCNc2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC001336391621 936191648 /nfs/dbraw/zinc/19/16/48/936191648.db2.gz LBLPNNBGUHPYOO-AEFFLSMTSA-N 2 1 295.430 3.216 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001337728283 936284281 /nfs/dbraw/zinc/28/42/81/936284281.db2.gz RLPKMMMYJOULJY-IJLUTSLNSA-N 2 1 266.351 3.180 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC001473964862 937832723 /nfs/dbraw/zinc/83/27/23/937832723.db2.gz OWPCISCNPJBMME-AWEZNQCLSA-N 2 1 266.454 3.186 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@H+](C)C1CCCC1 ZINC001473993136 937834276 /nfs/dbraw/zinc/83/42/76/937834276.db2.gz SZAOALNVVHJASN-DOTOQJQBSA-N 2 1 264.457 3.443 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC001473993136 937834278 /nfs/dbraw/zinc/83/42/78/937834278.db2.gz SZAOALNVVHJASN-DOTOQJQBSA-N 2 1 264.457 3.443 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(Cc2ccccc2)CC1 ZINC001474077740 937839023 /nfs/dbraw/zinc/83/90/23/937839023.db2.gz NFXBHTSBQYWIBT-UHFFFAOYSA-N 2 1 295.430 3.260 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)CC1(C)C ZINC001474225854 937845397 /nfs/dbraw/zinc/84/53/97/937845397.db2.gz ZCGSKHZNXJIXJF-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001474302059 937849805 /nfs/dbraw/zinc/84/98/05/937849805.db2.gz RWKYEXBFGRTYNE-QTPCEWDRSA-N 2 1 264.457 3.275 20 0 CGADMP Cn1c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc2ccccc21 ZINC001474351240 937853108 /nfs/dbraw/zinc/85/31/08/937853108.db2.gz HALZTHBILBCHKW-KRWDZBQOSA-N 2 1 299.462 3.485 20 0 CGADMP Cn1c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc2ccccc21 ZINC001474351240 937853110 /nfs/dbraw/zinc/85/31/10/937853110.db2.gz HALZTHBILBCHKW-KRWDZBQOSA-N 2 1 299.462 3.485 20 0 CGADMP Cn1c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc2ccccc21 ZINC001474351240 937853112 /nfs/dbraw/zinc/85/31/12/937853112.db2.gz HALZTHBILBCHKW-KRWDZBQOSA-N 2 1 299.462 3.485 20 0 CGADMP Cn1c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc2ccccc21 ZINC001474351240 937853114 /nfs/dbraw/zinc/85/31/14/937853114.db2.gz HALZTHBILBCHKW-KRWDZBQOSA-N 2 1 299.462 3.485 20 0 CGADMP CNc1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001474350093 937853567 /nfs/dbraw/zinc/85/35/67/937853567.db2.gz FQYWDIHZDGETBP-MRXNPFEDSA-N 2 1 275.440 3.035 20 0 CGADMP CNc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001474350093 937853569 /nfs/dbraw/zinc/85/35/69/937853569.db2.gz FQYWDIHZDGETBP-MRXNPFEDSA-N 2 1 275.440 3.035 20 0 CGADMP CNc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001474350093 937853570 /nfs/dbraw/zinc/85/35/70/937853570.db2.gz FQYWDIHZDGETBP-MRXNPFEDSA-N 2 1 275.440 3.035 20 0 CGADMP CNc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001474350093 937853572 /nfs/dbraw/zinc/85/35/72/937853572.db2.gz FQYWDIHZDGETBP-MRXNPFEDSA-N 2 1 275.440 3.035 20 0 CGADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C12CCC2 ZINC001474536853 937865901 /nfs/dbraw/zinc/86/59/01/937865901.db2.gz FXGHGOSWLXBIDH-GVDBMIGSSA-N 2 1 294.483 3.044 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC001474611638 937870388 /nfs/dbraw/zinc/87/03/88/937870388.db2.gz MXXPUKZNKMWVTG-OAHLLOKOSA-N 2 1 272.477 3.005 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C3CCC3)C2)CC1 ZINC001474634176 937871522 /nfs/dbraw/zinc/87/15/22/937871522.db2.gz BMQWMDARAYQAIN-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129554 938162777 /nfs/dbraw/zinc/16/27/77/938162777.db2.gz NUCSZAVLOUVBFB-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129554 938162778 /nfs/dbraw/zinc/16/27/78/938162778.db2.gz NUCSZAVLOUVBFB-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129554 938162779 /nfs/dbraw/zinc/16/27/79/938162779.db2.gz NUCSZAVLOUVBFB-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129554 938162780 /nfs/dbraw/zinc/16/27/80/938162780.db2.gz NUCSZAVLOUVBFB-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP c1cc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)ccn1 ZINC001550242619 938164634 /nfs/dbraw/zinc/16/46/34/938164634.db2.gz IWPZWIGOEIUJQW-RCCFBDPRSA-N 2 1 285.435 3.139 20 0 CGADMP Cn1cncc1[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001553816171 938201026 /nfs/dbraw/zinc/20/10/26/938201026.db2.gz KVCLFZXCDRMCLH-MRXNPFEDSA-N 2 1 294.402 3.281 20 0 CGADMP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](CC)c1ccccc1 ZINC001559503018 938228014 /nfs/dbraw/zinc/22/80/14/938228014.db2.gz UJNPHFLPAGFYGL-ROUUACIJSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](CC)c1ccccc1 ZINC001559503018 938228015 /nfs/dbraw/zinc/22/80/15/938228015.db2.gz UJNPHFLPAGFYGL-ROUUACIJSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](CC)c1ccccc1 ZINC001559503018 938228016 /nfs/dbraw/zinc/22/80/16/938228016.db2.gz UJNPHFLPAGFYGL-ROUUACIJSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](CC)c1ccccc1 ZINC001559503018 938228017 /nfs/dbraw/zinc/22/80/17/938228017.db2.gz UJNPHFLPAGFYGL-ROUUACIJSA-N 2 1 292.467 3.162 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001559863597 938237413 /nfs/dbraw/zinc/23/74/13/938237413.db2.gz GCZNQGMHMXBWOP-SFHVURJKSA-N 2 1 276.468 3.375 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3CCC4(CC4)CC3)C2)C1 ZINC001559863597 938237414 /nfs/dbraw/zinc/23/74/14/938237414.db2.gz GCZNQGMHMXBWOP-SFHVURJKSA-N 2 1 276.468 3.375 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3CCC4(CC4)CC3)C2)C1 ZINC001559863597 938237415 /nfs/dbraw/zinc/23/74/15/938237415.db2.gz GCZNQGMHMXBWOP-SFHVURJKSA-N 2 1 276.468 3.375 20 0 CGADMP Cc1ccc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001560108392 938244257 /nfs/dbraw/zinc/24/42/57/938244257.db2.gz BCJKGYMVFLQBSP-KRWDZBQOSA-N 2 1 295.430 3.143 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001560225897 938247765 /nfs/dbraw/zinc/24/77/65/938247765.db2.gz GDBOAUHSEJOROP-INIZCTEOSA-N 2 1 275.440 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001560225897 938247766 /nfs/dbraw/zinc/24/77/66/938247766.db2.gz GDBOAUHSEJOROP-INIZCTEOSA-N 2 1 275.440 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001560225897 938247767 /nfs/dbraw/zinc/24/77/67/938247767.db2.gz GDBOAUHSEJOROP-INIZCTEOSA-N 2 1 275.440 3.255 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC001560244771 938248652 /nfs/dbraw/zinc/24/86/52/938248652.db2.gz LXDXZVUCCVZFAE-UHFFFAOYSA-N 2 1 294.487 3.309 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(CC)CCOCC1 ZINC001560320958 938252941 /nfs/dbraw/zinc/25/29/41/938252941.db2.gz VIVOKGYQXGHXNH-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]CC1(CC)CCOCC1 ZINC001560320958 938252942 /nfs/dbraw/zinc/25/29/42/938252942.db2.gz VIVOKGYQXGHXNH-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001560358625 938255267 /nfs/dbraw/zinc/25/52/67/938255267.db2.gz QRIHKPMIROZCCG-IRXDYDNUSA-N 2 1 290.451 3.436 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2CC(C)C)CC1 ZINC001560674398 938269105 /nfs/dbraw/zinc/26/91/05/938269105.db2.gz ZGXDUTWWUDIHER-MRXNPFEDSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC001560851771 938279649 /nfs/dbraw/zinc/27/96/49/938279649.db2.gz CUFAPDJJTSXWST-HXUWFJFHSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC001560851771 938279650 /nfs/dbraw/zinc/27/96/50/938279650.db2.gz CUFAPDJJTSXWST-HXUWFJFHSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC001560851771 938279651 /nfs/dbraw/zinc/27/96/51/938279651.db2.gz CUFAPDJJTSXWST-HXUWFJFHSA-N 2 1 298.474 3.483 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC001560929173 938284249 /nfs/dbraw/zinc/28/42/49/938284249.db2.gz PNBQTYCBIAXNNG-QGZVFWFLSA-N 2 1 274.452 3.308 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1C ZINC001560929173 938284251 /nfs/dbraw/zinc/28/42/51/938284251.db2.gz PNBQTYCBIAXNNG-QGZVFWFLSA-N 2 1 274.452 3.308 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001561053101 938292374 /nfs/dbraw/zinc/29/23/74/938292374.db2.gz SHYTXASVHDSVPX-AKHDSKFASA-N 2 1 286.463 3.328 20 0 CGADMP c1ccc(C2=CCC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001574775196 960470211 /nfs/dbraw/zinc/47/02/11/960470211.db2.gz XPHPJDPUJHVEBV-UHFFFAOYSA-N 2 1 270.420 3.165 20 0 CGADMP CC(C)Cc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC001575647991 962411202 /nfs/dbraw/zinc/41/12/02/962411202.db2.gz DYLVKFZLKALKHF-QLFBSQMISA-N 2 1 262.441 3.314 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)c1cccc(Cl)c1 ZINC001576004924 962426092 /nfs/dbraw/zinc/42/60/92/962426092.db2.gz IROOWJVMGAFNIX-UMVBOHGHSA-N 2 1 280.843 3.360 20 0 CGADMP C[C@@H](C[NH+]1CCC2(CC[NH2+]2)CC1)C1CCCCC1 ZINC001576007009 962429325 /nfs/dbraw/zinc/42/93/25/962429325.db2.gz YIFIOWYHJGAGLR-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576119305 962435446 /nfs/dbraw/zinc/43/54/46/962435446.db2.gz DLGYCTQNIABBNY-JQWIXIFHSA-N 2 1 287.234 3.205 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576119305 962435460 /nfs/dbraw/zinc/43/54/60/962435460.db2.gz DLGYCTQNIABBNY-JQWIXIFHSA-N 2 1 287.234 3.205 20 0 CGADMP CC1(C)CC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC001576396247 962459613 /nfs/dbraw/zinc/45/96/13/962459613.db2.gz XBHMKYKUVRRUMD-IAGOWNOFSA-N 2 1 290.426 3.297 20 0 CGADMP C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001576584051 962477196 /nfs/dbraw/zinc/47/71/96/962477196.db2.gz SRTBVCOSQRHDEF-SMDDNHRTSA-N 2 1 286.341 3.308 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001577254469 962521026 /nfs/dbraw/zinc/52/10/26/962521026.db2.gz LIUPQDQHFMPLCW-TZMCWYRMSA-N 2 1 293.480 3.189 20 0 CGADMP CCCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C ZINC001577583222 962554032 /nfs/dbraw/zinc/55/40/32/962554032.db2.gz LZTSAIFJPKZTLB-NVXWUHKLSA-N 2 1 290.451 3.201 20 0 CGADMP CCc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC001578255473 962586626 /nfs/dbraw/zinc/58/66/26/962586626.db2.gz TVMREMZDLDOUEZ-SJLPKXTDSA-N 2 1 272.436 3.038 20 0 CGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC001579368271 962618863 /nfs/dbraw/zinc/61/88/63/962618863.db2.gz XIVAXHUEPODQMZ-MGPQQGTHSA-N 2 1 272.502 3.356 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001579666342 962643769 /nfs/dbraw/zinc/64/37/69/962643769.db2.gz QYOLZXXXTYZTHF-BFYDXBDKSA-N 2 1 260.425 3.015 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001579678671 962654568 /nfs/dbraw/zinc/65/45/68/962654568.db2.gz MYSHLJCPKJGTRW-AEFFLSMTSA-N 2 1 272.436 3.174 20 0 CGADMP Fc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001580026662 962685025 /nfs/dbraw/zinc/68/50/25/962685025.db2.gz FKWPTMSIVHEMOR-SECBINFHSA-N 2 1 291.197 3.222 20 0 CGADMP Fc1ccc(C(F)(F)C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001580029295 962686241 /nfs/dbraw/zinc/68/62/41/962686241.db2.gz LRVUNJWTEFXUQW-PHTAMDTFSA-N 2 1 298.352 3.038 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC001579938941 962691970 /nfs/dbraw/zinc/69/19/70/962691970.db2.gz NZGKFCRWVXWULF-JKSUJKDBSA-N 2 1 292.854 3.204 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(OC2CCCC2)cc1)CC(F)F ZINC001580132943 962695163 /nfs/dbraw/zinc/69/51/63/962695163.db2.gz SDMDZDISBDQRTM-ZDUSSCGKSA-N 2 1 298.377 3.080 20 0 CGADMP [NH3+]C[C@H]1CC[C@H](C[N@@H+](CC2CC2)CC2CCC2)CC1 ZINC001580331158 962715753 /nfs/dbraw/zinc/71/57/53/962715753.db2.gz FCYXNARLNXDTDA-KOMQPUFPSA-N 2 1 264.457 3.264 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000337495358 214118866 /nfs/dbraw/zinc/11/88/66/214118866.db2.gz DPKCSDOSPQOGGW-HNNXBMFYSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000337495358 214118867 /nfs/dbraw/zinc/11/88/67/214118867.db2.gz DPKCSDOSPQOGGW-HNNXBMFYSA-N 2 1 290.451 3.031 20 0 CGADMP CCc1cc(OC)ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000337495358 214118870 /nfs/dbraw/zinc/11/88/70/214118870.db2.gz DPKCSDOSPQOGGW-HNNXBMFYSA-N 2 1 290.451 3.031 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1C ZINC000124673654 187148518 /nfs/dbraw/zinc/14/85/18/187148518.db2.gz HCOLNTFFLIQNMT-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1C ZINC000124673654 187148519 /nfs/dbraw/zinc/14/85/19/187148519.db2.gz HCOLNTFFLIQNMT-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000124949370 187162887 /nfs/dbraw/zinc/16/28/87/187162887.db2.gz MQBZYQGJFSFQIA-LBPRGKRZSA-N 2 1 263.410 3.336 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000124949370 187162888 /nfs/dbraw/zinc/16/28/88/187162888.db2.gz MQBZYQGJFSFQIA-LBPRGKRZSA-N 2 1 263.410 3.336 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000124949370 187162889 /nfs/dbraw/zinc/16/28/89/187162889.db2.gz MQBZYQGJFSFQIA-LBPRGKRZSA-N 2 1 263.410 3.336 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337775527 214256469 /nfs/dbraw/zinc/25/64/69/214256469.db2.gz XHULNRXIAQTKHC-DLBZAZTESA-N 2 1 260.425 3.241 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651828091 398294658 /nfs/dbraw/zinc/29/46/58/398294658.db2.gz VHUXGMMVRZYHFE-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000338010678 214359136 /nfs/dbraw/zinc/35/91/36/214359136.db2.gz HKEWVDZYWVJFFK-CQSZACIVSA-N 2 1 257.381 3.241 20 0 CGADMP CC[C@@H]1C[C@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)CCO1 ZINC000359463214 529441496 /nfs/dbraw/zinc/44/14/96/529441496.db2.gz YYZPDYFMEMPBGK-QZTJIDSGSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000423476231 529453250 /nfs/dbraw/zinc/45/32/50/529453250.db2.gz SEVAFNPYRGSZPY-ROUUACIJSA-N 2 1 268.404 3.297 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423459033 529569245 /nfs/dbraw/zinc/56/92/45/529569245.db2.gz HLRGSHYUQNVSNT-ZYHUDNBSSA-N 2 1 288.407 3.432 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)[C@H]1C[C@@H]1C ZINC000414112450 529585959 /nfs/dbraw/zinc/58/59/59/529585959.db2.gz JUZJNBDXJFHFOH-XIRDDKMYSA-N 2 1 287.451 3.383 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000414184841 529605932 /nfs/dbraw/zinc/60/59/32/529605932.db2.gz OLIKXIRIPIPSNH-YJBOKZPZSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000289204952 282210260 /nfs/dbraw/zinc/21/02/60/282210260.db2.gz JYIYNRJIXSKFMH-WBMJQRKESA-N 2 1 255.365 3.030 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)cn1 ZINC000352682603 529613235 /nfs/dbraw/zinc/61/32/35/529613235.db2.gz FVWUUSUDORFJOM-HOCLYGCPSA-N 2 1 293.430 3.382 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)cn1 ZINC000352682603 529613237 /nfs/dbraw/zinc/61/32/37/529613237.db2.gz FVWUUSUDORFJOM-HOCLYGCPSA-N 2 1 293.430 3.382 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(OC)c(OC)c1 ZINC000424374865 529655916 /nfs/dbraw/zinc/65/59/16/529655916.db2.gz LUXVHDPSYGPPAN-QLFBSQMISA-N 2 1 292.423 3.014 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623348826 349785768 /nfs/dbraw/zinc/78/57/68/349785768.db2.gz MLVACJDTZGFSEW-OLZOCXBDSA-N 2 1 266.454 3.142 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3n2)CC1(C)C ZINC000623383944 349795249 /nfs/dbraw/zinc/79/52/49/349795249.db2.gz IKHXEQJGSKGEQP-KRWDZBQOSA-N 2 1 297.446 3.240 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)CC1(C)C ZINC000623381967 349795528 /nfs/dbraw/zinc/79/55/28/349795528.db2.gz QKTFDHNKHGWESU-ZBFHGGJFSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000294983385 199283301 /nfs/dbraw/zinc/28/33/01/199283301.db2.gz GRHRMHZTCXMFHS-RKVPGOIHSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401808 349799654 /nfs/dbraw/zinc/79/96/54/349799654.db2.gz PGZOGGCZLLLTEG-HOCLYGCPSA-N 2 1 290.451 3.176 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623426608 349805237 /nfs/dbraw/zinc/80/52/37/349805237.db2.gz SULQWWKSIXNOMI-TZMCWYRMSA-N 2 1 280.481 3.450 20 0 CGADMP Cc1cnc([C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431951 349807592 /nfs/dbraw/zinc/80/75/92/349807592.db2.gz YOJJHVZHGMYYSG-KGLIPLIRSA-N 2 1 293.480 3.365 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623432484 349807790 /nfs/dbraw/zinc/80/77/90/349807790.db2.gz UJVSEEYFSYFMQC-ZFWWWQNUSA-N 2 1 278.440 3.372 20 0 CGADMP Cc1cnc([C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431952 349808105 /nfs/dbraw/zinc/80/81/05/349808105.db2.gz YOJJHVZHGMYYSG-UONOGXRCSA-N 2 1 293.480 3.365 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447285 349811632 /nfs/dbraw/zinc/81/16/32/349811632.db2.gz LTSBQHWSZKZGHJ-BBRMVZONSA-N 2 1 288.435 3.145 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623470451 349815441 /nfs/dbraw/zinc/81/54/41/349815441.db2.gz LKDDVOYMZREOSX-HWOWSKLDSA-N 2 1 282.472 3.185 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000414182464 529721311 /nfs/dbraw/zinc/72/13/11/529721311.db2.gz NHIFKHVPXFXGMQ-KBPBESRZSA-N 2 1 264.413 3.225 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623564491 349835805 /nfs/dbraw/zinc/83/58/05/349835805.db2.gz FNKREUZCIZUWTM-INIZCTEOSA-N 2 1 260.425 3.266 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000126898891 187269507 /nfs/dbraw/zinc/26/95/07/187269507.db2.gz LMVDNHJAVKWPFJ-RYUDHWBXSA-N 2 1 266.454 3.215 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623654543 349856912 /nfs/dbraw/zinc/85/69/12/349856912.db2.gz CCASDHBXEBKYHL-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623654543 349856913 /nfs/dbraw/zinc/85/69/13/349856913.db2.gz CCASDHBXEBKYHL-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000358331826 529895778 /nfs/dbraw/zinc/89/57/78/529895778.db2.gz AWDXRGUCFQLNAL-HNNXBMFYSA-N 2 1 296.842 3.183 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1C(F)(F)F ZINC000623850083 349895532 /nfs/dbraw/zinc/89/55/32/349895532.db2.gz XLLJLYGTNCFLBJ-JTQLQIEISA-N 2 1 292.320 3.447 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000057969899 345191775 /nfs/dbraw/zinc/19/17/75/345191775.db2.gz IEXPGMSTUJSCNT-AWEZNQCLSA-N 2 1 298.377 3.108 20 0 CGADMP CC(C)CCOC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351633953 219155440 /nfs/dbraw/zinc/15/54/40/219155440.db2.gz PUNFTXDLXWGQRT-KRWDZBQOSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCOCc2ccccc2)CC[N@H+]1C ZINC000127442625 187307218 /nfs/dbraw/zinc/30/72/18/187307218.db2.gz IKAWKCOATQZPGH-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000081635273 345716296 /nfs/dbraw/zinc/71/62/96/345716296.db2.gz NSOMYOLFQNKKJG-LJQANCHMSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000081635273 345716298 /nfs/dbraw/zinc/71/62/98/345716298.db2.gz NSOMYOLFQNKKJG-LJQANCHMSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000081635273 345716300 /nfs/dbraw/zinc/71/63/00/345716300.db2.gz NSOMYOLFQNKKJG-LJQANCHMSA-N 2 1 286.463 3.283 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)n1 ZINC000089512884 345770076 /nfs/dbraw/zinc/77/00/76/345770076.db2.gz AZBXOPYCHYUWMD-CYBMUJFWSA-N 2 1 290.455 3.007 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090234350 345786474 /nfs/dbraw/zinc/78/64/74/345786474.db2.gz WTUQQCQLGXQRGF-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C1CCC(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000090576686 345790794 /nfs/dbraw/zinc/79/07/94/345790794.db2.gz CLEPYJCLSMMBQZ-OTBWCIGPSA-N 2 1 266.473 3.379 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(C)ccc1OC ZINC000093403208 345877261 /nfs/dbraw/zinc/87/72/61/345877261.db2.gz DTVNMOAHZQMXLR-GOEBONIOSA-N 2 1 278.440 3.385 20 0 CGADMP C[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000095694611 345899999 /nfs/dbraw/zinc/89/99/99/345899999.db2.gz BVLBMMOUOUHEPQ-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP COc1ccc(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1 ZINC000149421924 346130906 /nfs/dbraw/zinc/13/09/06/346130906.db2.gz QATGLJWOBFVVAW-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158236252 346163672 /nfs/dbraw/zinc/16/36/72/346163672.db2.gz BDWPHTOXTOYVKL-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158236252 346163675 /nfs/dbraw/zinc/16/36/75/346163675.db2.gz BDWPHTOXTOYVKL-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157561560 346161762 /nfs/dbraw/zinc/16/17/62/346161762.db2.gz XUEGJMDAUXZXKF-YPMHNXCESA-N 2 1 289.810 3.200 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157561560 346161764 /nfs/dbraw/zinc/16/17/64/346161764.db2.gz XUEGJMDAUXZXKF-YPMHNXCESA-N 2 1 289.810 3.200 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000227031794 346308288 /nfs/dbraw/zinc/30/82/88/346308288.db2.gz LEFLQAALBPKWLU-WBVHZDCISA-N 2 1 290.451 3.033 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000250510954 346385851 /nfs/dbraw/zinc/38/58/51/346385851.db2.gz OVQQFLWKHBTETD-PVAVHDDUSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000252212520 346390656 /nfs/dbraw/zinc/39/06/56/346390656.db2.gz YLOZNUQOEVGDRY-QKPAOTATSA-N 2 1 252.446 3.131 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000315291842 346483330 /nfs/dbraw/zinc/48/33/30/346483330.db2.gz JDMUKSUMGQFXLV-JKSUJKDBSA-N 2 1 292.467 3.335 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000315291842 346483332 /nfs/dbraw/zinc/48/33/32/346483332.db2.gz JDMUKSUMGQFXLV-JKSUJKDBSA-N 2 1 292.467 3.335 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000388737542 346571088 /nfs/dbraw/zinc/57/10/88/346571088.db2.gz IZXRMSAGRAFWGQ-FRRDWIJNSA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000388737542 346571092 /nfs/dbraw/zinc/57/10/92/346571092.db2.gz IZXRMSAGRAFWGQ-FRRDWIJNSA-N 2 1 280.378 3.426 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000584869214 346719449 /nfs/dbraw/zinc/71/94/49/346719449.db2.gz WSYYBWVEVGTWNQ-BMFZPTHFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000584869214 346719452 /nfs/dbraw/zinc/71/94/52/346719452.db2.gz WSYYBWVEVGTWNQ-BMFZPTHFSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000119188318 370652552 /nfs/dbraw/zinc/65/25/52/370652552.db2.gz QTJFBVMSRBBMAK-MZMPZRCHSA-N 2 1 288.435 3.219 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000119188318 370652556 /nfs/dbraw/zinc/65/25/56/370652556.db2.gz QTJFBVMSRBBMAK-MZMPZRCHSA-N 2 1 288.435 3.219 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000589637019 346804174 /nfs/dbraw/zinc/80/41/74/346804174.db2.gz YVXKBQQSHCYZLS-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000594784483 347216527 /nfs/dbraw/zinc/21/65/27/347216527.db2.gz MRSCCJHSZDMJCS-HKBKRHGFSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](CCC(F)(F)F)CC2CC2)CC[NH2+]1 ZINC000414710367 297248372 /nfs/dbraw/zinc/24/83/72/297248372.db2.gz PZZUUCVOJJAOLD-YPMHNXCESA-N 2 1 278.362 3.039 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120097 349976553 /nfs/dbraw/zinc/97/65/53/349976553.db2.gz RGHIRDAEJSNEDH-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000624119764 349976849 /nfs/dbraw/zinc/97/68/49/349976849.db2.gz JBHQBYMFBVPJPT-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120510 349976907 /nfs/dbraw/zinc/97/69/07/349976907.db2.gz ARIKGBPBVVKPEL-ZFWWWQNUSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000351863692 219230877 /nfs/dbraw/zinc/23/08/77/219230877.db2.gz UOHLYVPLCHOTFW-NVXWUHKLSA-N 2 1 298.430 3.278 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)o1 ZINC000624122235 349980438 /nfs/dbraw/zinc/98/04/38/349980438.db2.gz MYCYDKVKLLHXHZ-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)o1 ZINC000624122235 349980440 /nfs/dbraw/zinc/98/04/40/349980440.db2.gz MYCYDKVKLLHXHZ-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000624122985 349981105 /nfs/dbraw/zinc/98/11/05/349981105.db2.gz CHXXXSFOYBPITN-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000624123071 349981801 /nfs/dbraw/zinc/98/18/01/349981801.db2.gz FHYGTUOJPDOICU-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000339409766 215154599 /nfs/dbraw/zinc/15/45/99/215154599.db2.gz NNZMQCKZHQODSS-BBRMVZONSA-N 2 1 266.404 3.234 20 0 CGADMP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000606911940 348207591 /nfs/dbraw/zinc/20/75/91/348207591.db2.gz OFVLOEPIXGSDRM-HZPDHXFCSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000606911940 348207594 /nfs/dbraw/zinc/20/75/94/348207594.db2.gz OFVLOEPIXGSDRM-HZPDHXFCSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)s1 ZINC000339426027 215160959 /nfs/dbraw/zinc/16/09/59/215160959.db2.gz IXUUTWLMBMWSBQ-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)s1 ZINC000339426027 215160960 /nfs/dbraw/zinc/16/09/60/215160960.db2.gz IXUUTWLMBMWSBQ-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)s1 ZINC000339426027 215160963 /nfs/dbraw/zinc/16/09/63/215160963.db2.gz IXUUTWLMBMWSBQ-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000607724271 348258266 /nfs/dbraw/zinc/25/82/66/348258266.db2.gz NGMAUEBUOOULAO-UHFFFAOYSA-N 2 1 289.467 3.057 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000128885605 187397241 /nfs/dbraw/zinc/39/72/41/187397241.db2.gz OUIADJJAZXZNNT-NEPJUHHUSA-N 2 1 252.789 3.133 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000358381584 233120492 /nfs/dbraw/zinc/12/04/92/233120492.db2.gz MHKUPBLUQOOMCI-VNHYZAJKSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000358381584 233120496 /nfs/dbraw/zinc/12/04/96/233120496.db2.gz MHKUPBLUQOOMCI-VNHYZAJKSA-N 2 1 264.388 3.267 20 0 CGADMP F[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000339586904 215259353 /nfs/dbraw/zinc/25/93/53/215259353.db2.gz NINYEVDTBVCXRT-SJORKVTESA-N 2 1 276.399 3.131 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359742 191095239 /nfs/dbraw/zinc/09/52/39/191095239.db2.gz ZUHQDAWKPGLCFO-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359742 191095242 /nfs/dbraw/zinc/09/52/42/191095242.db2.gz ZUHQDAWKPGLCFO-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359742 191095245 /nfs/dbraw/zinc/09/52/45/191095245.db2.gz ZUHQDAWKPGLCFO-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC2(CC2)CC1 ZINC000628480300 350550450 /nfs/dbraw/zinc/55/04/50/350550450.db2.gz NTWIKADRPQDSRY-UHFFFAOYSA-N 2 1 296.418 3.342 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000629525924 350702166 /nfs/dbraw/zinc/70/21/66/350702166.db2.gz GRFLLPJTGKVBLA-CWRNSKLLSA-N 2 1 260.425 3.083 20 0 CGADMP CCC[C@@H](C)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629531853 350703708 /nfs/dbraw/zinc/70/37/08/350703708.db2.gz APAXLZMGIRDGRL-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629539165 350706854 /nfs/dbraw/zinc/70/68/54/350706854.db2.gz QVYNFLYWUSYHFP-FJIDUMEYSA-N 2 1 296.499 3.421 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C2CC2)c1 ZINC000629540746 350707358 /nfs/dbraw/zinc/70/73/58/350707358.db2.gz SPBLITMEICDWLS-QGTPRVQTSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@H]1CCCC[NH2+]1 ZINC000629550885 350711162 /nfs/dbraw/zinc/71/11/62/350711162.db2.gz PPUYPUDSDLIBHJ-NWDGAFQWSA-N 2 1 278.362 3.229 20 0 CGADMP FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000629553360 350712286 /nfs/dbraw/zinc/71/22/86/350712286.db2.gz XCBGFSBTEPZPMX-KFWWJZLASA-N 2 1 298.352 3.293 20 0 CGADMP CC(C)(C)CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565642 350714023 /nfs/dbraw/zinc/71/40/23/350714023.db2.gz WSKGJDGSIYCFLH-VXGBXAGGSA-N 2 1 280.378 3.272 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC000629592141 350715665 /nfs/dbraw/zinc/71/56/65/350715665.db2.gz APZYFYHCRLBVKO-CALCHBBNSA-N 2 1 292.854 3.204 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000631189268 350983814 /nfs/dbraw/zinc/98/38/14/350983814.db2.gz RFJMEYIDKYOJAB-ZBFHGGJFSA-N 2 1 278.415 3.377 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)F)CC[N@H+]1Cc1ccccc1 ZINC000631189268 350983817 /nfs/dbraw/zinc/98/38/17/350983817.db2.gz RFJMEYIDKYOJAB-ZBFHGGJFSA-N 2 1 278.415 3.377 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000631206303 350991485 /nfs/dbraw/zinc/99/14/85/350991485.db2.gz KFOCXDHEIALSHA-AWEZNQCLSA-N 2 1 266.454 3.327 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1C ZINC000631206303 350991486 /nfs/dbraw/zinc/99/14/86/350991486.db2.gz KFOCXDHEIALSHA-AWEZNQCLSA-N 2 1 266.454 3.327 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)C(C)(C)C ZINC000631074898 350943979 /nfs/dbraw/zinc/94/39/79/350943979.db2.gz KAMRUVDBTIMIMH-CQSZACIVSA-N 2 1 299.409 3.475 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1csc(C)c1C ZINC000631080571 350946798 /nfs/dbraw/zinc/94/67/98/350946798.db2.gz RXYLLRTWOACFSF-UHFFFAOYSA-N 2 1 277.437 3.440 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631659520 351108603 /nfs/dbraw/zinc/10/86/03/351108603.db2.gz RPAIVYGCXBNLLG-GDBMZVCRSA-N 2 1 278.415 3.235 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631658793 351108789 /nfs/dbraw/zinc/10/87/89/351108789.db2.gz NLQVFQRLLJHCRX-UKRRQHHQSA-N 2 1 270.436 3.367 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C)ccn1 ZINC000631566416 351068864 /nfs/dbraw/zinc/06/88/64/351068864.db2.gz NSCWOKTWMDGYFK-NVXWUHKLSA-N 2 1 287.451 3.305 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(C)ccn1 ZINC000631566416 351068867 /nfs/dbraw/zinc/06/88/67/351068867.db2.gz NSCWOKTWMDGYFK-NVXWUHKLSA-N 2 1 287.451 3.305 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631891054 351152605 /nfs/dbraw/zinc/15/26/05/351152605.db2.gz VRFXBZAAHQBVNR-AOIWGVFYSA-N 2 1 284.447 3.180 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cscc2Cl)C1 ZINC000634732423 351576920 /nfs/dbraw/zinc/57/69/20/351576920.db2.gz GJQFTLUJCFVAPU-NSHDSACASA-N 2 1 272.845 3.269 20 0 CGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccon2)C[N@H+]1Cc1ccccc1 ZINC000634972723 351612973 /nfs/dbraw/zinc/61/29/73/351612973.db2.gz FNUDROLORQESMS-WBVHZDCISA-N 2 1 299.418 3.065 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1F ZINC000635011656 351629299 /nfs/dbraw/zinc/62/92/99/351629299.db2.gz ONVNQHQZSWZNCT-AAEUAGOBSA-N 2 1 282.378 3.394 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2Cl)CC[N@@H+]1C ZINC000123164998 187074761 /nfs/dbraw/zinc/07/47/61/187074761.db2.gz ZMUDPGPDGVUKJX-KGLIPLIRSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2Cl)CC[N@H+]1C ZINC000123164998 187074762 /nfs/dbraw/zinc/07/47/62/187074762.db2.gz ZMUDPGPDGVUKJX-KGLIPLIRSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccccc2Cl)CC[NH+]1C ZINC000123164998 187074763 /nfs/dbraw/zinc/07/47/63/187074763.db2.gz ZMUDPGPDGVUKJX-KGLIPLIRSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2Cl)CC[NH+]1C ZINC000123164998 187074764 /nfs/dbraw/zinc/07/47/64/187074764.db2.gz ZMUDPGPDGVUKJX-KGLIPLIRSA-N 2 1 296.842 3.133 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000122941614 187061280 /nfs/dbraw/zinc/06/12/80/187061280.db2.gz IFOAXUCXAQFKGN-BMFZPTHFSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000122941614 187061281 /nfs/dbraw/zinc/06/12/81/187061281.db2.gz IFOAXUCXAQFKGN-BMFZPTHFSA-N 2 1 260.425 3.437 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000271559100 191213183 /nfs/dbraw/zinc/21/31/83/191213183.db2.gz NTOXTZVSZQVLPA-HNNXBMFYSA-N 2 1 275.440 3.305 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000367701106 234244034 /nfs/dbraw/zinc/24/40/34/234244034.db2.gz KNLXROZCXBHGCB-HNNXBMFYSA-N 2 1 283.419 3.187 20 0 CGADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000368088850 234278035 /nfs/dbraw/zinc/27/80/35/234278035.db2.gz IIDBOTSTTLIIDY-ULQDDVLXSA-N 2 1 295.430 3.268 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000152473364 188021482 /nfs/dbraw/zinc/02/14/82/188021482.db2.gz AUITUYUTZUSTFB-FXAWDEMLSA-N 2 1 298.474 3.390 20 0 CGADMP CC[C@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152928650 188053692 /nfs/dbraw/zinc/05/36/92/188053692.db2.gz OARWJHVMPIFUFC-CZUORRHYSA-N 2 1 287.407 3.256 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccncc2)C[C@@H]1c1ccccc1 ZINC000340266805 215511792 /nfs/dbraw/zinc/51/17/92/215511792.db2.gz WUEIKWXUZVRDPD-RTBURBONSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2)C[C@@H]1c1ccccc1 ZINC000340266805 215511794 /nfs/dbraw/zinc/51/17/94/215511794.db2.gz WUEIKWXUZVRDPD-RTBURBONSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271886436 191390022 /nfs/dbraw/zinc/39/00/22/191390022.db2.gz QUSULNDJCODNHM-KRWDZBQOSA-N 2 1 274.383 3.128 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271857193 191372565 /nfs/dbraw/zinc/37/25/65/191372565.db2.gz JQZZJEMKVUXMHZ-OAHLLOKOSA-N 2 1 258.409 3.216 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414192063 235359771 /nfs/dbraw/zinc/35/97/71/235359771.db2.gz SRXVVSNSCPEREZ-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000336353433 213201814 /nfs/dbraw/zinc/20/18/14/213201814.db2.gz NLJYOSIYZUQZBC-GJZGRUSLSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000336353433 213201815 /nfs/dbraw/zinc/20/18/15/213201815.db2.gz NLJYOSIYZUQZBC-GJZGRUSLSA-N 2 1 278.827 3.365 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868821 138355917 /nfs/dbraw/zinc/35/59/17/138355917.db2.gz LLYJREQYBFWMSV-LSDHHAIUSA-N 2 1 276.449 3.125 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000127081812 138387678 /nfs/dbraw/zinc/38/76/78/138387678.db2.gz NDWQDZFILSMXAO-WLYUNCDWSA-N 2 1 278.415 3.392 20 0 CGADMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422822606 235927784 /nfs/dbraw/zinc/92/77/84/235927784.db2.gz KFQXYNYNCUUUSX-ZIAGYGMSSA-N 2 1 297.240 3.035 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218646 235998796 /nfs/dbraw/zinc/99/87/96/235998796.db2.gz SECASRVFGVEDET-AVGNSLFASA-N 2 1 296.842 3.387 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423319540 236036529 /nfs/dbraw/zinc/03/65/29/236036529.db2.gz DLHGTCMLIWKTBV-BLLLJJGKSA-N 2 1 296.842 3.389 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423325685 236039332 /nfs/dbraw/zinc/03/93/32/236039332.db2.gz MAZJQJDVJHECPQ-MPKXVKKWSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423327729 236040049 /nfs/dbraw/zinc/04/00/49/236040049.db2.gz LSHWWMNVCHZPKT-ZUZCIYMTSA-N 2 1 286.341 3.144 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423334062 236041852 /nfs/dbraw/zinc/04/18/52/236041852.db2.gz SGMXEFFPMDDUFF-KXUCPTDWSA-N 2 1 291.222 3.086 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000423352631 236047522 /nfs/dbraw/zinc/04/75/22/236047522.db2.gz ABAAOGDHGFYOJW-TZMCWYRMSA-N 2 1 258.365 3.226 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2)cc1 ZINC000423429064 236069253 /nfs/dbraw/zinc/06/92/53/236069253.db2.gz JYQGWFQKNGPOSA-NOENWEJRSA-N 2 1 278.399 3.222 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000262037125 283289879 /nfs/dbraw/zinc/28/98/79/283289879.db2.gz XWCQCYQGLJYSOG-DOTOQJQBSA-N 2 1 287.451 3.171 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000423514062 236090572 /nfs/dbraw/zinc/09/05/72/236090572.db2.gz LXKPYLQWPYWVFM-PBHICJAKSA-N 2 1 290.451 3.013 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCC1 ZINC000178097275 299289012 /nfs/dbraw/zinc/28/90/12/299289012.db2.gz BKAROPLILZATLU-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000437086777 237247134 /nfs/dbraw/zinc/24/71/34/237247134.db2.gz GWSUZWDQTPLFSM-YSHGAJCASA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000437086777 237247144 /nfs/dbraw/zinc/24/71/44/237247144.db2.gz GWSUZWDQTPLFSM-YSHGAJCASA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000177886583 189076772 /nfs/dbraw/zinc/07/67/72/189076772.db2.gz PUKVMEMCOUFHHN-WWGRRREGSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000178255807 189100735 /nfs/dbraw/zinc/10/07/35/189100735.db2.gz JPLLICHYCAUFDS-GFCCVEGCSA-N 2 1 294.389 3.490 20 0 CGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178597202 189129848 /nfs/dbraw/zinc/12/98/48/189129848.db2.gz LVDOZZDVAZDQEZ-BRWVUGGUSA-N 2 1 290.451 3.143 20 0 CGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178597202 189129849 /nfs/dbraw/zinc/12/98/49/189129849.db2.gz LVDOZZDVAZDQEZ-BRWVUGGUSA-N 2 1 290.451 3.143 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423142659 296020743 /nfs/dbraw/zinc/02/07/43/296020743.db2.gz BAGVFLBEUHWXEC-BBBLOLIVSA-N 2 1 258.768 3.256 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000179519157 189198928 /nfs/dbraw/zinc/19/89/28/189198928.db2.gz OEWJPEOJHFAUMD-KBPBESRZSA-N 2 1 292.854 3.444 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583699 296024675 /nfs/dbraw/zinc/02/46/75/296024675.db2.gz RVUXLJKJTAGACR-UKRRQHHQSA-N 2 1 252.446 3.262 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182064872 189313409 /nfs/dbraw/zinc/31/34/09/189313409.db2.gz APBANFGNUWGZKJ-INIZCTEOSA-N 2 1 285.435 3.440 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000119657273 370695702 /nfs/dbraw/zinc/69/57/02/370695702.db2.gz TWLHLMBLFVQIAA-GOSISDBHSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000342542375 216391600 /nfs/dbraw/zinc/39/16/00/216391600.db2.gz DPHHOTZKSPPJRK-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000342542375 216391602 /nfs/dbraw/zinc/39/16/02/216391602.db2.gz DPHHOTZKSPPJRK-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000342542375 216391606 /nfs/dbraw/zinc/39/16/06/216391606.db2.gz DPHHOTZKSPPJRK-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000449108116 239184617 /nfs/dbraw/zinc/18/46/17/239184617.db2.gz PTOQMBQECQXZGB-AWEZNQCLSA-N 2 1 286.419 3.278 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449171910 239221250 /nfs/dbraw/zinc/22/12/50/239221250.db2.gz LFBVUZZLDONGKV-IJEWVQPXSA-N 2 1 286.419 3.436 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449171910 239221252 /nfs/dbraw/zinc/22/12/52/239221252.db2.gz LFBVUZZLDONGKV-IJEWVQPXSA-N 2 1 286.419 3.436 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000449301172 239301885 /nfs/dbraw/zinc/30/18/85/239301885.db2.gz REBNGKKEBBBMBA-KBMXLJTQSA-N 2 1 282.497 3.125 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000449301172 239301890 /nfs/dbraw/zinc/30/18/90/239301890.db2.gz REBNGKKEBBBMBA-KBMXLJTQSA-N 2 1 282.497 3.125 20 0 CGADMP COc1cccc(CCC[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337284658 376190524 /nfs/dbraw/zinc/19/05/24/376190524.db2.gz ZHTPOXIVPNTKHX-UHFFFAOYSA-N 2 1 290.451 3.046 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000120789879 370800447 /nfs/dbraw/zinc/80/04/47/370800447.db2.gz VNIXFHSRBQFYNN-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275609613 193086512 /nfs/dbraw/zinc/08/65/12/193086512.db2.gz QVEVUBPEGVKMMP-RBUKOAKNSA-N 2 1 284.447 3.249 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(F)cc1 ZINC000275650547 193095856 /nfs/dbraw/zinc/09/58/56/193095856.db2.gz CESDNSZSFRHKPQ-HUUCEWRRSA-N 2 1 278.415 3.203 20 0 CGADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000275650547 193095857 /nfs/dbraw/zinc/09/58/57/193095857.db2.gz CESDNSZSFRHKPQ-HUUCEWRRSA-N 2 1 278.415 3.203 20 0 CGADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000275650547 193095859 /nfs/dbraw/zinc/09/58/59/193095859.db2.gz CESDNSZSFRHKPQ-HUUCEWRRSA-N 2 1 278.415 3.203 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000121231949 370842944 /nfs/dbraw/zinc/84/29/44/370842944.db2.gz IFWILTJWEYWREQ-UHFFFAOYSA-N 2 1 274.408 3.419 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc3ncccc3c1)CC[NH2+]CC2 ZINC000335545211 212245487 /nfs/dbraw/zinc/24/54/87/212245487.db2.gz YGYNEKKGKRCTKU-OAHLLOKOSA-N 2 1 295.430 3.199 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459340694 242080276 /nfs/dbraw/zinc/08/02/76/242080276.db2.gz NJTSQWWLXUBKDF-NJAFHUGGSA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459340694 242080282 /nfs/dbraw/zinc/08/02/82/242080282.db2.gz NJTSQWWLXUBKDF-NJAFHUGGSA-N 2 1 272.436 3.064 20 0 CGADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459419750 242101189 /nfs/dbraw/zinc/10/11/89/242101189.db2.gz XBGMJLDIHSTXFA-RHSMWYFYSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459544571 242128070 /nfs/dbraw/zinc/12/80/70/242128070.db2.gz RCXPWZFTYUGJQQ-JCNLHEQBSA-N 2 1 284.447 3.457 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000459553515 242129123 /nfs/dbraw/zinc/12/91/23/242129123.db2.gz YKDOKHCARRRFOR-CQSZACIVSA-N 2 1 289.810 3.106 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2CC2)cc1 ZINC000459551741 242129820 /nfs/dbraw/zinc/12/98/20/242129820.db2.gz OVSGOZHDQANMEE-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2CC2)cc1 ZINC000459551741 242129822 /nfs/dbraw/zinc/12/98/22/242129822.db2.gz OVSGOZHDQANMEE-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459551741 242129827 /nfs/dbraw/zinc/12/98/27/242129827.db2.gz OVSGOZHDQANMEE-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459551741 242129832 /nfs/dbraw/zinc/12/98/32/242129832.db2.gz OVSGOZHDQANMEE-KBXCAEBGSA-N 2 1 272.436 3.336 20 0 CGADMP Cc1cccc(C2([NH2+]CCc3c[nH+]cn3C)CCCC2)c1 ZINC000459361156 242088599 /nfs/dbraw/zinc/08/85/99/242088599.db2.gz FWQJOLUCYVGGRS-UHFFFAOYSA-N 2 1 283.419 3.330 20 0 CGADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000459357198 242088631 /nfs/dbraw/zinc/08/86/31/242088631.db2.gz ZOPDFFNERQNKDN-MRXNPFEDSA-N 2 1 275.371 3.089 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]CCc1cccc(Cl)c1 ZINC000459394497 242096923 /nfs/dbraw/zinc/09/69/23/242096923.db2.gz UOQXMYUSAITNQZ-UHFFFAOYSA-N 2 1 268.832 3.202 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459391317 242097430 /nfs/dbraw/zinc/09/74/30/242097430.db2.gz QVKMWVYNYWGQLZ-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc2cccnc12 ZINC000459780947 242229843 /nfs/dbraw/zinc/22/98/43/242229843.db2.gz MAOBQKMFKFRUDY-MRXNPFEDSA-N 2 1 297.446 3.365 20 0 CGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)CC[N@@H+]1C ZINC000462881188 242373435 /nfs/dbraw/zinc/37/34/35/242373435.db2.gz LQOQGAPULRCOQX-AAEUAGOBSA-N 2 1 289.810 3.205 20 0 CGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)CC[N@H+]1C ZINC000462881188 242373438 /nfs/dbraw/zinc/37/34/38/242373438.db2.gz LQOQGAPULRCOQX-AAEUAGOBSA-N 2 1 289.810 3.205 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449251728 296120435 /nfs/dbraw/zinc/12/04/35/296120435.db2.gz OUIQAMCBQIQQIA-IIAWOOMASA-N 2 1 250.430 3.053 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C2CC2)cc1 ZINC000481302416 243186025 /nfs/dbraw/zinc/18/60/25/243186025.db2.gz CYGURETYTQBPQX-RTBURBONSA-N 2 1 286.463 3.246 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CCS2 ZINC000343471596 216787566 /nfs/dbraw/zinc/78/75/66/216787566.db2.gz UVXCFUCCVUCQAX-DOMZBBRYSA-N 2 1 294.464 3.162 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488443385 243566000 /nfs/dbraw/zinc/56/60/00/243566000.db2.gz GTGZEOULUYUYGJ-VHDGCEQUSA-N 2 1 295.496 3.337 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000019843348 368772035 /nfs/dbraw/zinc/77/20/35/368772035.db2.gz GBKJNCXUMVIOEE-MRXNPFEDSA-N 2 1 254.377 3.153 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000019843348 368772040 /nfs/dbraw/zinc/77/20/40/368772040.db2.gz GBKJNCXUMVIOEE-MRXNPFEDSA-N 2 1 254.377 3.153 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000019959411 368790899 /nfs/dbraw/zinc/79/08/99/368790899.db2.gz LHEHNOPWLTWJFI-LBPRGKRZSA-N 2 1 252.427 3.011 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996349 369047057 /nfs/dbraw/zinc/04/70/57/369047057.db2.gz ZTYFXNHGVLVJPE-HZPDHXFCSA-N 2 1 276.449 3.125 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996349 369047062 /nfs/dbraw/zinc/04/70/62/369047062.db2.gz ZTYFXNHGVLVJPE-HZPDHXFCSA-N 2 1 276.449 3.125 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000219091997 376194429 /nfs/dbraw/zinc/19/44/29/376194429.db2.gz BKLXGJCDBOEQDG-CQSZACIVSA-N 2 1 266.404 3.077 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996818 369048890 /nfs/dbraw/zinc/04/88/90/369048890.db2.gz SRZUNUYAHIYJPN-USXIJHARSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996818 369048894 /nfs/dbraw/zinc/04/88/94/369048894.db2.gz SRZUNUYAHIYJPN-USXIJHARSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037099277 369062067 /nfs/dbraw/zinc/06/20/67/369062067.db2.gz MEOWFLCQLXXCHB-AYZDXNEBSA-N 2 1 292.389 3.426 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1OC ZINC000037318581 369082170 /nfs/dbraw/zinc/08/21/70/369082170.db2.gz GMVJBHQEXRFVIR-KRWDZBQOSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648953 369095012 /nfs/dbraw/zinc/09/50/12/369095012.db2.gz XDBRXTJPSUEANG-LSDHHAIUSA-N 2 1 284.447 3.310 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648951 369095825 /nfs/dbraw/zinc/09/58/25/369095825.db2.gz XDBRXTJPSUEANG-GJZGRUSLSA-N 2 1 284.447 3.310 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649318 369096752 /nfs/dbraw/zinc/09/67/52/369096752.db2.gz RHHHMHHUVNZHEG-NVXWUHKLSA-N 2 1 272.436 3.082 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649508 369098195 /nfs/dbraw/zinc/09/81/95/369098195.db2.gz AHOJUSPEAVFHJY-ZBFHGGJFSA-N 2 1 272.436 3.384 20 0 CGADMP c1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075698 369171731 /nfs/dbraw/zinc/17/17/31/369171731.db2.gz YUJMSLGHZLJJHT-KSSFIOAISA-N 2 1 270.420 3.212 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000042323346 369213047 /nfs/dbraw/zinc/21/30/47/369213047.db2.gz JMMSTRBHXAWQMY-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000042323346 369213056 /nfs/dbraw/zinc/21/30/56/369213056.db2.gz JMMSTRBHXAWQMY-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Cl)cc1 ZINC000042439411 369220932 /nfs/dbraw/zinc/22/09/32/369220932.db2.gz YJZGLQZMMYKDPN-UHFFFAOYSA-N 2 1 266.816 3.162 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000495051063 244349681 /nfs/dbraw/zinc/34/96/81/244349681.db2.gz UZPDVSUHJSSJBN-JKIFEVAISA-N 2 1 260.425 3.272 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465531 369502907 /nfs/dbraw/zinc/50/29/07/369502907.db2.gz BUIOOHXVDVHYME-LBPRGKRZSA-N 2 1 260.406 3.072 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148432 369782764 /nfs/dbraw/zinc/78/27/64/369782764.db2.gz HCAIWNFIMCJKKG-INIZCTEOSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000070171874 369786146 /nfs/dbraw/zinc/78/61/46/369786146.db2.gz RHOAZGPWTACJCW-KDOFPFPSSA-N 2 1 268.404 3.399 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000070169353 369786454 /nfs/dbraw/zinc/78/64/54/369786454.db2.gz KKCDRRQNLIROGP-LBPRGKRZSA-N 2 1 297.240 3.010 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000085098370 370016607 /nfs/dbraw/zinc/01/66/07/370016607.db2.gz FIPXNIJANOHMJL-XJKCOSOUSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000090720535 370064494 /nfs/dbraw/zinc/06/44/94/370064494.db2.gz SOFFHQBGACKZMS-GDBMZVCRSA-N 2 1 276.424 3.046 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090721606 370066478 /nfs/dbraw/zinc/06/64/78/370066478.db2.gz SBAYXKXFHDBSSO-GDBMZVCRSA-N 2 1 276.424 3.046 20 0 CGADMP c1csc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066371 370092576 /nfs/dbraw/zinc/09/25/76/370092576.db2.gz KTNVLZNTQDJPDX-CJNGLKHVSA-N 2 1 276.449 3.197 20 0 CGADMP c1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066371 370092579 /nfs/dbraw/zinc/09/25/79/370092579.db2.gz KTNVLZNTQDJPDX-CJNGLKHVSA-N 2 1 276.449 3.197 20 0 CGADMP c1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066371 370092582 /nfs/dbraw/zinc/09/25/82/370092582.db2.gz KTNVLZNTQDJPDX-CJNGLKHVSA-N 2 1 276.449 3.197 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093644632 370152406 /nfs/dbraw/zinc/15/24/06/370152406.db2.gz VNEMPINBGGTLJK-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093644632 370152412 /nfs/dbraw/zinc/15/24/12/370152412.db2.gz VNEMPINBGGTLJK-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644632 370152415 /nfs/dbraw/zinc/15/24/15/370152415.db2.gz VNEMPINBGGTLJK-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644632 370152421 /nfs/dbraw/zinc/15/24/21/370152421.db2.gz VNEMPINBGGTLJK-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000097602882 370248508 /nfs/dbraw/zinc/24/85/08/370248508.db2.gz GKAOKNOQWHSDCA-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000110056302 370369125 /nfs/dbraw/zinc/36/91/25/370369125.db2.gz CJDPGCXGUZLCIP-CHWSQXEVSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000110056302 370369131 /nfs/dbraw/zinc/36/91/31/370369131.db2.gz CJDPGCXGUZLCIP-CHWSQXEVSA-N 2 1 282.790 3.196 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000104095503 370337432 /nfs/dbraw/zinc/33/74/32/370337432.db2.gz CKUHCUNQXUVTBZ-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000104095503 370337437 /nfs/dbraw/zinc/33/74/37/370337437.db2.gz CKUHCUNQXUVTBZ-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000104095503 370337441 /nfs/dbraw/zinc/33/74/41/370337441.db2.gz CKUHCUNQXUVTBZ-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cnccn1 ZINC000114538116 370505216 /nfs/dbraw/zinc/50/52/16/370505216.db2.gz LZXINWSPORGUSV-HNNXBMFYSA-N 2 1 298.434 3.169 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000514081871 245106389 /nfs/dbraw/zinc/10/63/89/245106389.db2.gz DNTBEIIJYRXREY-CYBMUJFWSA-N 2 1 296.405 3.360 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ncccc3c2)CCN1C ZINC000130645239 371048785 /nfs/dbraw/zinc/04/87/85/371048785.db2.gz JXVNCPYTQUSJOX-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000130645239 371048790 /nfs/dbraw/zinc/04/87/90/371048790.db2.gz JXVNCPYTQUSJOX-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ncccc3c2)CC[NH+]1C ZINC000130645239 371048811 /nfs/dbraw/zinc/04/88/11/371048811.db2.gz JXVNCPYTQUSJOX-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000130171896 371014826 /nfs/dbraw/zinc/01/48/26/371014826.db2.gz GLRSMKJSZPTJSG-RWMBFGLXSA-N 2 1 250.411 3.026 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1coc2ccccc12 ZINC000133361498 371245606 /nfs/dbraw/zinc/24/56/06/371245606.db2.gz FRKZAICEBRTERP-OAHLLOKOSA-N 2 1 260.381 3.238 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(CCc2ccccc2F)C1 ZINC000137613378 371499587 /nfs/dbraw/zinc/49/95/87/371499587.db2.gz ZYTRLRANXIYHOT-OAHLLOKOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000137613378 371499597 /nfs/dbraw/zinc/49/95/97/371499597.db2.gz ZYTRLRANXIYHOT-OAHLLOKOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000137613378 371499604 /nfs/dbraw/zinc/49/96/04/371499604.db2.gz ZYTRLRANXIYHOT-OAHLLOKOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000137613378 371499608 /nfs/dbraw/zinc/49/96/08/371499608.db2.gz ZYTRLRANXIYHOT-OAHLLOKOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000137613378 371499614 /nfs/dbraw/zinc/49/96/14/371499614.db2.gz ZYTRLRANXIYHOT-OAHLLOKOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000151098466 371568637 /nfs/dbraw/zinc/56/86/37/371568637.db2.gz KMBGBODYDGQGOU-MJGOQNOKSA-N 2 1 286.463 3.329 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000151142752 371575745 /nfs/dbraw/zinc/57/57/45/371575745.db2.gz CFTXBVRPQWHBDO-KRWDZBQOSA-N 2 1 288.435 3.146 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000151142752 371575749 /nfs/dbraw/zinc/57/57/49/371575749.db2.gz CFTXBVRPQWHBDO-KRWDZBQOSA-N 2 1 288.435 3.146 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286987976 371586019 /nfs/dbraw/zinc/58/60/19/371586019.db2.gz PFVOJSPBXADQCR-CQSZACIVSA-N 2 1 275.421 3.336 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286987976 371586024 /nfs/dbraw/zinc/58/60/24/371586024.db2.gz PFVOJSPBXADQCR-CQSZACIVSA-N 2 1 275.421 3.336 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559446 371614086 /nfs/dbraw/zinc/61/40/86/371614086.db2.gz ASSAGBNZAPFWEE-NFAWXSAZSA-N 2 1 296.842 3.180 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000153262490 371759626 /nfs/dbraw/zinc/75/96/26/371759626.db2.gz QRQHXVOOGWHYFH-RDJZCZTQSA-N 2 1 274.452 3.202 20 0 CGADMP C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422713881 371765433 /nfs/dbraw/zinc/76/54/33/371765433.db2.gz KKLPKUWNFZOZSM-HZMBPMFUSA-N 2 1 287.234 3.266 20 0 CGADMP COc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422764404 371792713 /nfs/dbraw/zinc/79/27/13/371792713.db2.gz OLTLZUUOABVAGV-LJQANCHMSA-N 2 1 296.414 3.126 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCCC2)CC[N@H+]1C ZINC000153534579 371774851 /nfs/dbraw/zinc/77/48/51/371774851.db2.gz XROACDLEWUSTRO-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000422735937 371775458 /nfs/dbraw/zinc/77/54/58/371775458.db2.gz FPLKIHWOONPQTG-GDBMZVCRSA-N 2 1 287.432 3.034 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000422749357 371782987 /nfs/dbraw/zinc/78/29/87/371782987.db2.gz YTNUVPCLXDRLMQ-WOPDTQHZSA-N 2 1 268.351 3.004 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422831390 371832508 /nfs/dbraw/zinc/83/25/08/371832508.db2.gz SOKRNBYUDBJEKA-SJORKVTESA-N 2 1 276.424 3.223 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)c2ccccc21 ZINC000422772470 371796919 /nfs/dbraw/zinc/79/69/19/371796919.db2.gz ZBOLEKPOLDTUHX-ROUUACIJSA-N 2 1 288.435 3.460 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000422806060 371820690 /nfs/dbraw/zinc/82/06/90/371820690.db2.gz HRNZEYBIXVZENZ-SRVKXCTJSA-N 2 1 268.351 3.004 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Nc1ccccc1 ZINC000154137395 371821370 /nfs/dbraw/zinc/82/13/70/371821370.db2.gz JIZDQRFDQUAWFR-NJAFHUGGSA-N 2 1 289.467 3.053 20 0 CGADMP C[C@H]([NH2+]CCCOc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422884938 371854061 /nfs/dbraw/zinc/85/40/61/371854061.db2.gz GAZNOZSOGJTWPF-KXBFYZLASA-N 2 1 298.430 3.339 20 0 CGADMP CC[N@@H+](CCc1cncn1C)Cc1cccc(Cl)c1 ZINC000289994688 371872488 /nfs/dbraw/zinc/87/24/88/371872488.db2.gz KRDUOSIKMANEHI-UHFFFAOYSA-N 2 1 277.799 3.138 20 0 CGADMP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000422925424 371873957 /nfs/dbraw/zinc/87/39/57/371873957.db2.gz VCXZYYAWEKNRRQ-RTBURBONSA-N 2 1 296.414 3.332 20 0 CGADMP C[N@@H+](Cc1csc(C(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC000154819108 371883213 /nfs/dbraw/zinc/88/32/13/371883213.db2.gz CBNPYVFCGKXOLB-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP C[N@H+](Cc1csc(C(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC000154819108 371883217 /nfs/dbraw/zinc/88/32/17/371883217.db2.gz CBNPYVFCGKXOLB-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@H](C)c3c[nH+]ccc3N)c[nH]c2c1 ZINC000422848178 371838489 /nfs/dbraw/zinc/83/84/89/371838489.db2.gz SVDSUANZPCYHBY-CYBMUJFWSA-N 2 1 294.402 3.177 20 0 CGADMP COc1ccc(F)cc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423063018 371941639 /nfs/dbraw/zinc/94/16/39/371941639.db2.gz OFBRQCIROKZMSV-XJKSGUPXSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)s1 ZINC000422947742 371887196 /nfs/dbraw/zinc/88/71/96/371887196.db2.gz YSSZGCHJVMVJME-BXUZGUMPSA-N 2 1 294.851 3.450 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000344102914 217052314 /nfs/dbraw/zinc/05/23/14/217052314.db2.gz FYRZORAYBXCVHH-DYVFJYSZSA-N 2 1 286.419 3.214 20 0 CGADMP CC(C)CSCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000154960625 371893149 /nfs/dbraw/zinc/89/31/49/371893149.db2.gz ACOUYOZWVHQGOF-CABCVRRESA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000154960625 371893160 /nfs/dbraw/zinc/89/31/60/371893160.db2.gz ACOUYOZWVHQGOF-CABCVRRESA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154960625 371893168 /nfs/dbraw/zinc/89/31/68/371893168.db2.gz ACOUYOZWVHQGOF-CABCVRRESA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154960625 371893179 /nfs/dbraw/zinc/89/31/79/371893179.db2.gz ACOUYOZWVHQGOF-CABCVRRESA-N 2 1 272.502 3.180 20 0 CGADMP C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422968499 371895220 /nfs/dbraw/zinc/89/52/20/371895220.db2.gz RGYJAQSRNQAYGC-YJNKEBTESA-N 2 1 258.409 3.053 20 0 CGADMP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423008653 371911725 /nfs/dbraw/zinc/91/17/25/371911725.db2.gz AUAMNOLOEOUZTM-ZIAGYGMSSA-N 2 1 299.418 3.032 20 0 CGADMP CC[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423013185 371913610 /nfs/dbraw/zinc/91/36/10/371913610.db2.gz MGHWFVHBDPAXGG-CVEARBPZSA-N 2 1 294.389 3.117 20 0 CGADMP CC[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)[C@@H]1CCC[NH2+]1 ZINC000423048647 371933327 /nfs/dbraw/zinc/93/33/27/371933327.db2.gz JAQVLPRJHFQBBW-OALUTQOASA-N 2 1 295.430 3.369 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000290318939 371962528 /nfs/dbraw/zinc/96/25/28/371962528.db2.gz CVOYRFCANVHLQT-YOEHRIQHSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000290318939 371962536 /nfs/dbraw/zinc/96/25/36/371962536.db2.gz CVOYRFCANVHLQT-YOEHRIQHSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000290318939 371962544 /nfs/dbraw/zinc/96/25/44/371962544.db2.gz CVOYRFCANVHLQT-YOEHRIQHSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000290318939 371962553 /nfs/dbraw/zinc/96/25/53/371962553.db2.gz CVOYRFCANVHLQT-YOEHRIQHSA-N 2 1 260.425 3.075 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(SC)CC2)c1 ZINC000290382535 371978626 /nfs/dbraw/zinc/97/86/26/371978626.db2.gz OASSIMIGORUKKW-UHFFFAOYSA-N 2 1 278.465 3.124 20 0 CGADMP CCOCC(C)(C)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423124984 371979296 /nfs/dbraw/zinc/97/92/96/371979296.db2.gz PSINTTACBSAXNR-DLBZAZTESA-N 2 1 290.451 3.132 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCCC[NH2+]1 ZINC000423129101 371980775 /nfs/dbraw/zinc/98/07/75/371980775.db2.gz WTNZCQHDBAOFAM-XOYOTBSWSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCCC[NH2+]1 ZINC000423129096 371981411 /nfs/dbraw/zinc/98/14/11/371981411.db2.gz WTNZCQHDBAOFAM-DZOHQFGASA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000423132040 371983295 /nfs/dbraw/zinc/98/32/95/371983295.db2.gz ISYBCFIDNIDKOF-LYAPFXNSSA-N 2 1 274.452 3.359 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CSCc3ccccc32)CC1 ZINC000037236987 541864148 /nfs/dbraw/zinc/86/41/48/541864148.db2.gz HDMPLFGGPHFIEC-KRWDZBQOSA-N 2 1 290.476 3.439 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000423166682 372000359 /nfs/dbraw/zinc/00/03/59/372000359.db2.gz VTAVWAMRDMXOMI-OWIUFQIYSA-N 2 1 288.435 3.061 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000423067746 371945527 /nfs/dbraw/zinc/94/55/27/371945527.db2.gz IHDLKBITMWBUJK-HUUCEWRRSA-N 2 1 296.842 3.488 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083711 371954467 /nfs/dbraw/zinc/95/44/67/371954467.db2.gz GKYINBFCYNMUKV-UOJCXKCYSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@H]([NH2+]CC1(C)CCC(C)CC1)c1c[nH+]ccc1N ZINC000423090082 371956081 /nfs/dbraw/zinc/95/60/81/371956081.db2.gz WTDIBWOFTOYZCI-UYJPIKCFSA-N 2 1 261.413 3.361 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H]1CCCC[C@H]1C ZINC000423191651 372016645 /nfs/dbraw/zinc/01/66/45/372016645.db2.gz TXBOTKZRTBVGKQ-SOLBZPMBSA-N 2 1 289.467 3.366 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)c1c[nH+]ccc1N ZINC000423192282 372017141 /nfs/dbraw/zinc/01/71/41/372017141.db2.gz UJCMFZNWVIVLQC-CORIIIEPSA-N 2 1 261.413 3.360 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C)c1cccc(Cl)c1F ZINC000423198520 372023261 /nfs/dbraw/zinc/02/32/61/372023261.db2.gz GJGZFDXERBGROB-LBPRGKRZSA-N 2 1 258.768 3.129 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423200579 372025399 /nfs/dbraw/zinc/02/53/99/372025399.db2.gz MSLGGHCWCQLESW-CQSZACIVSA-N 2 1 282.815 3.061 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2cccnc12 ZINC000344160928 217079160 /nfs/dbraw/zinc/07/91/60/217079160.db2.gz GFSLBNCUTPKXRR-QZTJIDSGSA-N 2 1 295.430 3.260 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000423216172 372036434 /nfs/dbraw/zinc/03/64/34/372036434.db2.gz PTDVNEUVUOGWOK-GYVWXKFASA-N 2 1 262.372 3.149 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000423258986 372043342 /nfs/dbraw/zinc/04/33/42/372043342.db2.gz CUJXUYMVIIQCMQ-KBPBESRZSA-N 2 1 264.413 3.028 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423323567 372052094 /nfs/dbraw/zinc/05/20/94/372052094.db2.gz JSBKYUDQWUPZJO-CXAGYDPISA-N 2 1 272.367 3.046 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000158104688 372052515 /nfs/dbraw/zinc/05/25/15/372052515.db2.gz JKXORAHPXFRJAM-HOTGVXAUSA-N 2 1 274.452 3.284 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1nccc2ccccc21 ZINC000423362359 372056175 /nfs/dbraw/zinc/05/61/75/372056175.db2.gz STKNIFGJZSPJRA-DZGCQCFKSA-N 2 1 269.392 3.028 20 0 CGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423175981 372005103 /nfs/dbraw/zinc/00/51/03/372005103.db2.gz BJBXCJBKANILAX-LLVKDONJSA-N 2 1 282.815 3.141 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccs1 ZINC000159115778 372108669 /nfs/dbraw/zinc/10/86/69/372108669.db2.gz PYFNQCWVCHNXJU-HNNXBMFYSA-N 2 1 296.480 3.290 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423434615 372063916 /nfs/dbraw/zinc/06/39/16/372063916.db2.gz DBTNTEXKJQSXCW-UBJUHAIHSA-N 2 1 273.207 3.306 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000425333409 372122588 /nfs/dbraw/zinc/12/25/88/372122588.db2.gz CBBJMFRIUVXZSQ-RBSFLKMASA-N 2 1 270.486 3.125 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCCO2 ZINC000425924508 372145281 /nfs/dbraw/zinc/14/52/81/372145281.db2.gz PNXBCPDPVUMMNZ-CXAGYDPISA-N 2 1 290.451 3.304 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCSc3ccccc3)C2)C1 ZINC000292897118 372241594 /nfs/dbraw/zinc/24/15/94/372241594.db2.gz GGOPBZFCHFYVKN-QGZVFWFLSA-N 2 1 290.476 3.196 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCSc3ccccc3)C2)C1 ZINC000292897118 372241599 /nfs/dbraw/zinc/24/15/99/372241599.db2.gz GGOPBZFCHFYVKN-QGZVFWFLSA-N 2 1 290.476 3.196 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCSc3ccccc3)C2)C1 ZINC000292897118 372241603 /nfs/dbraw/zinc/24/16/03/372241603.db2.gz GGOPBZFCHFYVKN-QGZVFWFLSA-N 2 1 290.476 3.196 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4ncccc4c3)C2)C1 ZINC000292862038 372229732 /nfs/dbraw/zinc/22/97/32/372229732.db2.gz CMPIXUBLHCLIHK-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4ncccc4c3)C2)C1 ZINC000292862038 372229737 /nfs/dbraw/zinc/22/97/37/372229737.db2.gz CMPIXUBLHCLIHK-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4ncccc4c3)C2)C1 ZINC000292862038 372229743 /nfs/dbraw/zinc/22/97/43/372229743.db2.gz CMPIXUBLHCLIHK-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc2ccccc2n1 ZINC000293309844 372351810 /nfs/dbraw/zinc/35/18/10/372351810.db2.gz FCOBWQKVDUMZQK-UONOGXRCSA-N 2 1 271.408 3.083 20 0 CGADMP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000162150829 372376298 /nfs/dbraw/zinc/37/62/98/372376298.db2.gz QXHGUVCYCWRRSQ-HNNXBMFYSA-N 2 1 260.425 3.348 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000430735403 372394601 /nfs/dbraw/zinc/39/46/01/372394601.db2.gz YXFHPSNEFQYHHC-ZJIFWQFVSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2conc2C)c1 ZINC000293529743 372403006 /nfs/dbraw/zinc/40/30/06/372403006.db2.gz JICRGMJVTNRIAW-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000430970133 372411322 /nfs/dbraw/zinc/41/13/22/372411322.db2.gz ILAQDCSJPVWZFK-INIZCTEOSA-N 2 1 298.430 3.150 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC23CCCC3)[C@H](C)C1 ZINC000429422026 372364854 /nfs/dbraw/zinc/36/48/54/372364854.db2.gz YJBBPKVBMYTEOD-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000293368992 372367410 /nfs/dbraw/zinc/36/74/10/372367410.db2.gz IZYREVWQPYAMJO-MQMHXKEQSA-N 2 1 278.827 3.270 20 0 CGADMP CCC[N@@H+](CCc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC000431070377 372422773 /nfs/dbraw/zinc/42/27/73/372422773.db2.gz XVGJNVLJXNSTAC-UHFFFAOYSA-N 2 1 298.833 3.486 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(F)ccc1F ZINC000163239382 372456249 /nfs/dbraw/zinc/45/62/49/372456249.db2.gz YRKBKAOOAQOBMK-LRDDRELGSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(F)ccc1F ZINC000163239382 372456252 /nfs/dbraw/zinc/45/62/52/372456252.db2.gz YRKBKAOOAQOBMK-LRDDRELGSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000163399070 372467216 /nfs/dbraw/zinc/46/72/16/372467216.db2.gz KNCYKCVGHMEFLY-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)[C@H](C)C1 ZINC000164459991 372519722 /nfs/dbraw/zinc/51/97/22/372519722.db2.gz FWEMJVUVOCALRL-HIFRSBDPSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000164497215 372522296 /nfs/dbraw/zinc/52/22/96/372522296.db2.gz FFUBXIHNJJPGES-YQQAZPJKSA-N 2 1 260.425 3.122 20 0 CGADMP CC(C)C1CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432356838 372565922 /nfs/dbraw/zinc/56/59/22/372565922.db2.gz KFNGUANOSUHXBE-AOCRQIFASA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C1CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432356838 372565926 /nfs/dbraw/zinc/56/59/26/372565926.db2.gz KFNGUANOSUHXBE-AOCRQIFASA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419372 372567846 /nfs/dbraw/zinc/56/78/46/372567846.db2.gz BGNWLQMEVLAVGH-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419372 372567853 /nfs/dbraw/zinc/56/78/53/372567853.db2.gz BGNWLQMEVLAVGH-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(F)c1 ZINC000166514488 372577004 /nfs/dbraw/zinc/57/70/04/372577004.db2.gz VSBSLRVLCNRHGN-BBRMVZONSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1cccs1 ZINC000167477727 372596177 /nfs/dbraw/zinc/59/61/77/372596177.db2.gz USTPAPXFFYJMIB-NHIYQJMISA-N 2 1 280.481 3.245 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1F ZINC000168754873 372619675 /nfs/dbraw/zinc/61/96/75/372619675.db2.gz OKGBQTQRQZIJMH-GUYCJALGSA-N 2 1 276.399 3.351 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000435374248 372753499 /nfs/dbraw/zinc/75/34/99/372753499.db2.gz PNGWEGKCASRUJE-PBHICJAKSA-N 2 1 260.425 3.022 20 0 CGADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000435379759 372753560 /nfs/dbraw/zinc/75/35/60/372753560.db2.gz KRGZAUGEWYEELC-INIZCTEOSA-N 2 1 296.414 3.143 20 0 CGADMP CC[N@@H+](Cc1ccccc1OC(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435617932 372784521 /nfs/dbraw/zinc/78/45/21/372784521.db2.gz XMDVFWXBDQJXOW-AWEZNQCLSA-N 2 1 298.377 3.252 20 0 CGADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435742826 372801345 /nfs/dbraw/zinc/80/13/45/372801345.db2.gz OXVSKOIMLPOKHT-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CSC[C@H]1C ZINC000295514474 372811793 /nfs/dbraw/zinc/81/17/93/372811793.db2.gz VCJNDEGYTIYYQJ-PBHICJAKSA-N 2 1 292.492 3.368 20 0 CGADMP CC(C)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000296103230 373022692 /nfs/dbraw/zinc/02/26/92/373022692.db2.gz YYFUKVSPROZYAA-YCXXCVGLSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC000296103230 373022694 /nfs/dbraw/zinc/02/26/94/373022694.db2.gz YYFUKVSPROZYAA-YCXXCVGLSA-N 2 1 287.451 3.384 20 0 CGADMP CC[N@H+](CC[NH2+]C1CCC(C(F)F)CC1)C(C)C ZINC000442782546 373080292 /nfs/dbraw/zinc/08/02/92/373080292.db2.gz QGWNZMYLUYQAEK-UHFFFAOYSA-N 2 1 262.388 3.130 20 0 CGADMP CC[N@@H+](CC[NH2+]C1CCC(C(F)F)CC1)C(C)C ZINC000442782546 373080301 /nfs/dbraw/zinc/08/03/01/373080301.db2.gz QGWNZMYLUYQAEK-UHFFFAOYSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442761194 373073396 /nfs/dbraw/zinc/07/33/96/373073396.db2.gz BRGJEXMNYVQKLH-IYXRBSQSSA-N 2 1 274.399 3.132 20 0 CGADMP c1ccc(C2([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000444619152 373214053 /nfs/dbraw/zinc/21/40/53/373214053.db2.gz WBYZZLGWGXWVFG-UHFFFAOYSA-N 2 1 258.409 3.141 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cccc2C)C1 ZINC000173903267 373214193 /nfs/dbraw/zinc/21/41/93/373214193.db2.gz DEGIKCCCYGLCQC-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000173903267 373214202 /nfs/dbraw/zinc/21/42/02/373214202.db2.gz DEGIKCCCYGLCQC-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000173903267 373214211 /nfs/dbraw/zinc/21/42/11/373214211.db2.gz DEGIKCCCYGLCQC-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000444750780 373259332 /nfs/dbraw/zinc/25/93/32/373259332.db2.gz JNCPMEXAZILPTB-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000444750780 373259333 /nfs/dbraw/zinc/25/93/33/373259333.db2.gz JNCPMEXAZILPTB-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000444750780 373259338 /nfs/dbraw/zinc/25/93/38/373259338.db2.gz JNCPMEXAZILPTB-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000174454146 373319724 /nfs/dbraw/zinc/31/97/24/373319724.db2.gz OSRCCGMQVOTKPB-CJNGLKHVSA-N 2 1 287.407 3.478 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cccc(Cl)c3)CC[C@H]21 ZINC000297776921 373281132 /nfs/dbraw/zinc/28/11/32/373281132.db2.gz MKPNWAJIOZOTJP-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cccc(Cl)c3)CC[C@H]21 ZINC000297776921 373281145 /nfs/dbraw/zinc/28/11/45/373281145.db2.gz MKPNWAJIOZOTJP-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cccc(Cl)c3)CC[C@H]21 ZINC000297776921 373281156 /nfs/dbraw/zinc/28/11/56/373281156.db2.gz MKPNWAJIOZOTJP-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP COCC1CCC([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000449102235 373661643 /nfs/dbraw/zinc/66/16/43/373661643.db2.gz IYNHLUFXGGIXNS-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP COCC1CCC([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000449102235 373661647 /nfs/dbraw/zinc/66/16/47/373661647.db2.gz IYNHLUFXGGIXNS-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000449441885 373717854 /nfs/dbraw/zinc/71/78/54/373717854.db2.gz UTKQIRJHWSHZIR-GRGSLBFTSA-N 2 1 284.447 3.285 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCSc2ccc(C)cc2)[C@H](C)C1 ZINC000178380289 373772913 /nfs/dbraw/zinc/77/29/13/373772913.db2.gz MHRAXRNYFQJSES-WBVHZDCISA-N 2 1 292.492 3.407 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000178413141 373774332 /nfs/dbraw/zinc/77/43/32/373774332.db2.gz MEHSQFVKNMWMNU-CYBMUJFWSA-N 2 1 293.480 3.158 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CCC2)c1 ZINC000178736843 373809136 /nfs/dbraw/zinc/80/91/36/373809136.db2.gz QQGZSAJTNFZQEY-CQSZACIVSA-N 2 1 260.425 3.417 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]CC2CCCCC2)C[C@H](C)O1 ZINC000178894890 373815110 /nfs/dbraw/zinc/81/51/10/373815110.db2.gz CQOPADVVIRTQRQ-IYBDPMFKSA-N 2 1 282.472 3.046 20 0 CGADMP Clc1ccccc1C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178964249 373820959 /nfs/dbraw/zinc/82/09/59/373820959.db2.gz VSYZDPVKCDDNCV-MRXNPFEDSA-N 2 1 292.854 3.347 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC000178441409 373778249 /nfs/dbraw/zinc/77/82/49/373778249.db2.gz JMKUJIKXWWBAOV-NVXWUHKLSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000178441409 373778256 /nfs/dbraw/zinc/77/82/56/373778256.db2.gz JMKUJIKXWWBAOV-NVXWUHKLSA-N 2 1 258.409 3.090 20 0 CGADMP CCC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000449734651 373860957 /nfs/dbraw/zinc/86/09/57/373860957.db2.gz NPQWMVPOILCGMG-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000302421696 373865777 /nfs/dbraw/zinc/86/57/77/373865777.db2.gz JPEPLXCPYFBJNM-RDTXWAMCSA-N 2 1 281.403 3.322 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000179448960 373874378 /nfs/dbraw/zinc/87/43/78/373874378.db2.gz SQMYGQXIPSQDMI-SWLSCSKDSA-N 2 1 266.816 3.475 20 0 CGADMP C[C@@H]1C[C@@H](NC2(c3ccc(F)cc3F)CCC2)CC[N@H+]1C ZINC000179754489 373911656 /nfs/dbraw/zinc/91/16/56/373911656.db2.gz LGJGNVZQNOKLTI-OCCSQVGLSA-N 2 1 294.389 3.416 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CCN1C ZINC000179754489 373911665 /nfs/dbraw/zinc/91/16/65/373911665.db2.gz LGJGNVZQNOKLTI-OCCSQVGLSA-N 2 1 294.389 3.416 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000449783620 373912755 /nfs/dbraw/zinc/91/27/55/373912755.db2.gz QKZCAYGTYHZTQB-IAGOWNOFSA-N 2 1 272.436 3.254 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000449783620 373912763 /nfs/dbraw/zinc/91/27/63/373912763.db2.gz QKZCAYGTYHZTQB-IAGOWNOFSA-N 2 1 272.436 3.254 20 0 CGADMP C[NH+](C)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450253264 374022839 /nfs/dbraw/zinc/02/28/39/374022839.db2.gz NFJOKHQCLRPHHS-POHAHGRESA-N 2 1 258.409 3.116 20 0 CGADMP COc1cccc2c(NCC3CC[NH+](C)CC3)c(C)c[nH+]c12 ZINC000302799405 373967834 /nfs/dbraw/zinc/96/78/34/373967834.db2.gz BQDRAIQFGOVYSS-UHFFFAOYSA-N 2 1 299.418 3.306 20 0 CGADMP CCc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000450252462 374022341 /nfs/dbraw/zinc/02/23/41/374022341.db2.gz IGPMYXMXTUACSC-CVEARBPZSA-N 2 1 295.430 3.258 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cc3ccccc3o2)CC[N@H+]1C ZINC000181089151 374078150 /nfs/dbraw/zinc/07/81/50/374078150.db2.gz RSKVMLMAVMNSOB-HIFRSBDPSA-N 2 1 272.392 3.048 20 0 CGADMP CCC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000450322885 374056518 /nfs/dbraw/zinc/05/65/18/374056518.db2.gz CJNJFSRJJQVABM-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CCC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000450322885 374056524 /nfs/dbraw/zinc/05/65/24/374056524.db2.gz CJNJFSRJJQVABM-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CCc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000450384934 374096082 /nfs/dbraw/zinc/09/60/82/374096082.db2.gz BSICAFCPWFLMON-KDOFPFPSSA-N 2 1 285.435 3.097 20 0 CGADMP COc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000072952827 541898366 /nfs/dbraw/zinc/89/83/66/541898366.db2.gz BKTCWWVAFOMWJR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP COc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000072952827 541898370 /nfs/dbraw/zinc/89/83/70/541898370.db2.gz BKTCWWVAFOMWJR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP COc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000072952827 541898372 /nfs/dbraw/zinc/89/83/72/541898372.db2.gz BKTCWWVAFOMWJR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP COc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000072952827 541898379 /nfs/dbraw/zinc/89/83/79/541898379.db2.gz BKTCWWVAFOMWJR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000181745685 374165081 /nfs/dbraw/zinc/16/50/81/374165081.db2.gz PJNRJOXJIRJAKD-BMFZPTHFSA-N 2 1 263.429 3.386 20 0 CGADMP COc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000182059895 374211458 /nfs/dbraw/zinc/21/14/58/374211458.db2.gz YALFEIJAUUFAIQ-FUHWJXTLSA-N 2 1 290.451 3.466 20 0 CGADMP C[C@H](F)CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452122601 374242277 /nfs/dbraw/zinc/24/22/77/374242277.db2.gz VDSWBGPOHYTMBJ-NSHDSACASA-N 2 1 284.341 3.083 20 0 CGADMP CCc1nc(N[C@@H](C)CCC[NH+](CC)CC)cc(C)[nH+]1 ZINC000312927125 374295577 /nfs/dbraw/zinc/29/55/77/374295577.db2.gz XJELUSAAVNMTIT-ZDUSSCGKSA-N 2 1 278.444 3.270 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322915888 374355151 /nfs/dbraw/zinc/35/51/51/374355151.db2.gz KSGPMMRFLYVVBL-HNSVSWJLSA-N 2 1 288.435 3.279 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322915888 374355157 /nfs/dbraw/zinc/35/51/57/374355157.db2.gz KSGPMMRFLYVVBL-HNSVSWJLSA-N 2 1 288.435 3.279 20 0 CGADMP C[C@H]([NH2+]Cc1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102445 374371989 /nfs/dbraw/zinc/37/19/89/374371989.db2.gz QGHREUXWPPOTRQ-KBPBESRZSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@H]([NH2+]Cc1ccco1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102445 374371994 /nfs/dbraw/zinc/37/19/94/374371994.db2.gz QGHREUXWPPOTRQ-KBPBESRZSA-N 2 1 262.397 3.022 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000453266495 374380916 /nfs/dbraw/zinc/38/09/16/374380916.db2.gz FPHWIPHGMGLTQQ-ZKLCHKPXSA-N 2 1 296.524 3.371 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453342853 374433393 /nfs/dbraw/zinc/43/33/93/374433393.db2.gz HZQIQVRRPZNIPE-FQRYHQRQSA-N 2 1 264.457 3.416 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129768 541936280 /nfs/dbraw/zinc/93/62/80/541936280.db2.gz MYGBZKCTBZOMBC-AVGNSLFASA-N 2 1 280.378 3.427 20 0 CGADMP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000453361245 374449976 /nfs/dbraw/zinc/44/99/76/374449976.db2.gz QTHKGWZMYLNRHK-CGTJXYLNSA-N 2 1 290.426 3.139 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453599495 374476196 /nfs/dbraw/zinc/47/61/96/374476196.db2.gz RMIOEWHXTRAFFT-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP Clc1ccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000089541413 541953248 /nfs/dbraw/zinc/95/32/48/541953248.db2.gz KRUICSIBRYOJBE-IAGOWNOFSA-N 2 1 292.854 3.489 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC000186122492 374801028 /nfs/dbraw/zinc/80/10/28/374801028.db2.gz ZEQNEXUTNQNXJN-QWHCGFSZSA-N 2 1 282.453 3.139 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC000186122492 374801033 /nfs/dbraw/zinc/80/10/33/374801033.db2.gz ZEQNEXUTNQNXJN-QWHCGFSZSA-N 2 1 282.453 3.139 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459792610 374820743 /nfs/dbraw/zinc/82/07/43/374820743.db2.gz STGSUYDFZLBDPP-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000186404907 374845111 /nfs/dbraw/zinc/84/51/11/374845111.db2.gz KZHGCAOPZJHMJG-SFHVURJKSA-N 2 1 285.435 3.150 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357832 541986096 /nfs/dbraw/zinc/98/60/96/541986096.db2.gz ZTJLMEDZXRNHPO-OAHLLOKOSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCc2ccccc2)CC[N@@H+]1C ZINC000187120269 374974966 /nfs/dbraw/zinc/97/49/66/374974966.db2.gz PWGVJAIOSCKDKX-AEFFLSMTSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCc2ccccc2)CC[N@H+]1C ZINC000187120269 374974972 /nfs/dbraw/zinc/97/49/72/374974972.db2.gz PWGVJAIOSCKDKX-AEFFLSMTSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCc2ccccc2)CC[NH+]1C ZINC000187120269 374974977 /nfs/dbraw/zinc/97/49/77/374974977.db2.gz PWGVJAIOSCKDKX-AEFFLSMTSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCc2ccccc2)CC[NH+]1C ZINC000187120269 374974983 /nfs/dbraw/zinc/97/49/83/374974983.db2.gz PWGVJAIOSCKDKX-AEFFLSMTSA-N 2 1 274.452 3.424 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1CCSCC1 ZINC000187246118 374992842 /nfs/dbraw/zinc/99/28/42/374992842.db2.gz AACJXUSATHPMGQ-CYBMUJFWSA-N 2 1 281.469 3.093 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3occc3c2)CC[N@@H+]1C ZINC000289483546 197369421 /nfs/dbraw/zinc/36/94/21/197369421.db2.gz BWZWEZJURFRQBE-CJNGLKHVSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3occc3c2)CC[N@H+]1C ZINC000289483546 197369423 /nfs/dbraw/zinc/36/94/23/197369423.db2.gz BWZWEZJURFRQBE-CJNGLKHVSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3occc3c2)CC[NH+]1C ZINC000289483546 197369425 /nfs/dbraw/zinc/36/94/25/197369425.db2.gz BWZWEZJURFRQBE-CJNGLKHVSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3occc3c2)CC[NH+]1C ZINC000289483546 197369426 /nfs/dbraw/zinc/36/94/26/197369426.db2.gz BWZWEZJURFRQBE-CJNGLKHVSA-N 2 1 272.392 3.347 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000187883701 375111400 /nfs/dbraw/zinc/11/14/00/375111400.db2.gz QTFPHGHVVVUEEU-KKXDTOCCSA-N 2 1 299.418 3.135 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000187964888 375128153 /nfs/dbraw/zinc/12/81/53/375128153.db2.gz QEDCEWSAYTUCHE-HOTGVXAUSA-N 2 1 292.442 3.467 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000335149714 375176583 /nfs/dbraw/zinc/17/65/83/375176583.db2.gz VLKQKYCVFAKOCY-UKRRQHHQSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000335149714 375176587 /nfs/dbraw/zinc/17/65/87/375176587.db2.gz VLKQKYCVFAKOCY-UKRRQHHQSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000335149714 375176591 /nfs/dbraw/zinc/17/65/91/375176591.db2.gz VLKQKYCVFAKOCY-UKRRQHHQSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000335149714 375176594 /nfs/dbraw/zinc/17/65/94/375176594.db2.gz VLKQKYCVFAKOCY-UKRRQHHQSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000487534153 375247733 /nfs/dbraw/zinc/24/77/33/375247733.db2.gz HFBHRTGHSSBKRB-YWPBOTNQSA-N 2 1 287.451 3.052 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189007080 375308925 /nfs/dbraw/zinc/30/89/25/375308925.db2.gz VAONOEVZIFPBPJ-FUHWJXTLSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2c3ccccc3-c3ccccc32)CC[NH2+]1 ZINC000335537761 375328458 /nfs/dbraw/zinc/32/84/58/375328458.db2.gz DDDGMVQTJGGGCO-UONOGXRCSA-N 2 1 278.399 3.487 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000189370869 375376668 /nfs/dbraw/zinc/37/66/68/375376668.db2.gz ZYUZDWCXZGYSNX-DIECFANBSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000189370869 375376676 /nfs/dbraw/zinc/37/66/76/375376676.db2.gz ZYUZDWCXZGYSNX-DIECFANBSA-N 2 1 288.435 3.137 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000507509503 375710566 /nfs/dbraw/zinc/71/05/66/375710566.db2.gz LDKPBLMPJJAURO-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000507509503 375710576 /nfs/dbraw/zinc/71/05/76/375710576.db2.gz LDKPBLMPJJAURO-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1CNC1CC[NH+](CCC)CC1 ZINC000126073655 542038342 /nfs/dbraw/zinc/03/83/42/542038342.db2.gz SBWQIFNHBQBHDN-SFHVURJKSA-N 2 1 295.515 3.105 20 0 CGADMP C[C@H](CC1CC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933198 375805271 /nfs/dbraw/zinc/80/52/71/375805271.db2.gz VSQBGNPIYRXOAW-CRAIPNDOSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)CC1CCCCCC1 ZINC000515557167 375815127 /nfs/dbraw/zinc/81/51/27/375815127.db2.gz SHBKBZTZPIYFML-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CCCCCC1 ZINC000515557167 375815133 /nfs/dbraw/zinc/81/51/33/375815133.db2.gz SHBKBZTZPIYFML-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CCCCCC1 ZINC000515557167 375815137 /nfs/dbraw/zinc/81/51/37/375815137.db2.gz SHBKBZTZPIYFML-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CCCCCC1 ZINC000515557167 375815143 /nfs/dbraw/zinc/81/51/43/375815143.db2.gz SHBKBZTZPIYFML-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CCCCCC1 ZINC000515557167 375815145 /nfs/dbraw/zinc/81/51/45/375815145.db2.gz SHBKBZTZPIYFML-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000193473014 375883983 /nfs/dbraw/zinc/88/39/83/375883983.db2.gz MMHYBTVSCJGGPI-ZDUSSCGKSA-N 2 1 254.443 3.473 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000193473014 375883988 /nfs/dbraw/zinc/88/39/88/375883988.db2.gz MMHYBTVSCJGGPI-ZDUSSCGKSA-N 2 1 254.443 3.473 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261406 375964370 /nfs/dbraw/zinc/96/43/70/375964370.db2.gz GNPOMMUPXUUKAD-MLGOLLRUSA-N 2 1 278.827 3.259 20 0 CGADMP C1=CO[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000193870406 375932443 /nfs/dbraw/zinc/93/24/43/375932443.db2.gz UHIASNKNPIWVBW-ROUUACIJSA-N 2 1 292.467 3.267 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000193998643 375947379 /nfs/dbraw/zinc/94/73/79/375947379.db2.gz ADNIUVCYKSSEFM-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000193998643 375947382 /nfs/dbraw/zinc/94/73/82/375947382.db2.gz ADNIUVCYKSSEFM-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000193998643 375947392 /nfs/dbraw/zinc/94/73/92/375947392.db2.gz ADNIUVCYKSSEFM-WBVHZDCISA-N 2 1 290.451 3.166 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000336833179 375994351 /nfs/dbraw/zinc/99/43/51/375994351.db2.gz BZZKBRQESTYSJZ-KRWDZBQOSA-N 2 1 284.407 3.204 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000336833179 375994354 /nfs/dbraw/zinc/99/43/54/375994354.db2.gz BZZKBRQESTYSJZ-KRWDZBQOSA-N 2 1 284.407 3.204 20 0 CGADMP Cc1c[nH+]ccc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000195343939 376097821 /nfs/dbraw/zinc/09/78/21/376097821.db2.gz XZSPSZOGSFEBMO-UHFFFAOYSA-N 2 1 292.386 3.289 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@H]12 ZINC000535765291 376055982 /nfs/dbraw/zinc/05/59/82/376055982.db2.gz HUTCFJWYDJRHFY-TWMKSMIVSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCCC[C@H]12 ZINC000535765291 376055988 /nfs/dbraw/zinc/05/59/88/376055988.db2.gz HUTCFJWYDJRHFY-TWMKSMIVSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]2CCCC[C@H]12 ZINC000535765291 376055995 /nfs/dbraw/zinc/05/59/95/376055995.db2.gz HUTCFJWYDJRHFY-TWMKSMIVSA-N 2 1 264.457 3.371 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)[C@@H](C)C1 ZINC000537984764 376215372 /nfs/dbraw/zinc/21/53/72/376215372.db2.gz IDWSQRDCALGNCY-PQEBFOHHSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC12CCC2 ZINC000337414275 376220156 /nfs/dbraw/zinc/22/01/56/376220156.db2.gz YFGIGDWCHYIXNE-QXSJWSMHSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC12CCC2 ZINC000337414275 376220164 /nfs/dbraw/zinc/22/01/64/376220164.db2.gz YFGIGDWCHYIXNE-QXSJWSMHSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000221809223 376221320 /nfs/dbraw/zinc/22/13/20/376221320.db2.gz BLBNMPOWROACNR-UHFFFAOYSA-N 2 1 282.378 3.175 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337998564 376251850 /nfs/dbraw/zinc/25/18/50/376251850.db2.gz VHJPXHONXXYBJJ-PVAVHDDUSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000338278061 376309250 /nfs/dbraw/zinc/30/92/50/376309250.db2.gz DAMGLFBJDANLGG-UHFFFAOYSA-N 2 1 276.424 3.006 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326289 376351608 /nfs/dbraw/zinc/35/16/08/376351608.db2.gz BTRKZSXMTTZJCN-STQMWFEESA-N 2 1 298.377 3.410 20 0 CGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000338306630 376327243 /nfs/dbraw/zinc/32/72/43/376327243.db2.gz NNMNGIXHYIHSHO-HUUCEWRRSA-N 2 1 297.393 3.481 20 0 CGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000338306630 376327247 /nfs/dbraw/zinc/32/72/47/376327247.db2.gz NNMNGIXHYIHSHO-HUUCEWRRSA-N 2 1 297.393 3.481 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227055258 376379720 /nfs/dbraw/zinc/37/97/20/376379720.db2.gz XWVVYBSZOXZJKJ-NILFDRSVSA-N 2 1 266.816 3.460 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000228214027 376432820 /nfs/dbraw/zinc/43/28/20/376432820.db2.gz YSVOWJJZYLLVQL-IDMDMSBLSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000228214027 376432827 /nfs/dbraw/zinc/43/28/27/376432827.db2.gz YSVOWJJZYLLVQL-IDMDMSBLSA-N 2 1 272.436 3.171 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC000541317340 376438439 /nfs/dbraw/zinc/43/84/39/376438439.db2.gz MEYDAZBWHOUDJH-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1nc(C)c(C[N@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000230005767 376480481 /nfs/dbraw/zinc/48/04/81/376480481.db2.gz QJLKEEUETXCSBF-UHFFFAOYSA-N 2 1 289.448 3.111 20 0 CGADMP Cc1nc(C)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000230005767 376480492 /nfs/dbraw/zinc/48/04/92/376480492.db2.gz QJLKEEUETXCSBF-UHFFFAOYSA-N 2 1 289.448 3.111 20 0 CGADMP C[C@@H](C[NH2+]CC[N@H+](C)C1CCCC1)Cc1ccccc1 ZINC000541590081 376463955 /nfs/dbraw/zinc/46/39/55/376463955.db2.gz YZIOSTHLFCTTBF-MRXNPFEDSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H](C[NH2+]CC[N@@H+](C)C1CCCC1)Cc1ccccc1 ZINC000541590081 376463959 /nfs/dbraw/zinc/46/39/59/376463959.db2.gz YZIOSTHLFCTTBF-MRXNPFEDSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000542549177 376557963 /nfs/dbraw/zinc/55/79/63/376557963.db2.gz AOZPZBZKDVKYRL-ZWKOTPCHSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000542477297 376547277 /nfs/dbraw/zinc/54/72/77/376547277.db2.gz YBUTZJPSDABZEV-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@@H+](CCc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000233053527 376595930 /nfs/dbraw/zinc/59/59/30/376595930.db2.gz YNJHSUCSMSURFU-CQSZACIVSA-N 2 1 266.454 3.002 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000338957170 376600720 /nfs/dbraw/zinc/60/07/20/376600720.db2.gz FJKCSAKWXYMRMF-UONOGXRCSA-N 2 1 281.469 3.091 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000542840409 376585061 /nfs/dbraw/zinc/58/50/61/376585061.db2.gz HXFYOCCENPWEAF-HOTGVXAUSA-N 2 1 260.425 3.064 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000542915269 376593167 /nfs/dbraw/zinc/59/31/67/376593167.db2.gz XNSCHELTRCKVSR-DBVUQKKJSA-N 2 1 298.474 3.208 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000542915269 376593174 /nfs/dbraw/zinc/59/31/74/376593174.db2.gz XNSCHELTRCKVSR-DBVUQKKJSA-N 2 1 298.474 3.208 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000542915269 376593183 /nfs/dbraw/zinc/59/31/83/376593183.db2.gz XNSCHELTRCKVSR-DBVUQKKJSA-N 2 1 298.474 3.208 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000235724093 376649300 /nfs/dbraw/zinc/64/93/00/376649300.db2.gz GTFMXYDGSGVNTN-GXTWGEPZSA-N 2 1 266.816 3.160 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000235786227 376650330 /nfs/dbraw/zinc/65/03/30/376650330.db2.gz YPZMQVIQLWLWNG-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868769 542085047 /nfs/dbraw/zinc/08/50/47/542085047.db2.gz YYIJCZWGMKHSLZ-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134868769 542085052 /nfs/dbraw/zinc/08/50/52/542085052.db2.gz YYIJCZWGMKHSLZ-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134868769 542085056 /nfs/dbraw/zinc/08/50/56/542085056.db2.gz YYIJCZWGMKHSLZ-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000339071126 376660567 /nfs/dbraw/zinc/66/05/67/376660567.db2.gz QRZDNOQANOXBHI-IMJJTQAJSA-N 2 1 276.424 3.126 20 0 CGADMP CC[C@@H](C[NH2+]C[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000236982123 376722781 /nfs/dbraw/zinc/72/27/81/376722781.db2.gz PXAXQHPQVVGFBF-WBVHZDCISA-N 2 1 260.425 3.254 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000544023122 376695555 /nfs/dbraw/zinc/69/55/55/376695555.db2.gz FFQFGDVWLATSPG-BMFZPTHFSA-N 2 1 278.465 3.095 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000544023122 376695565 /nfs/dbraw/zinc/69/55/65/376695565.db2.gz FFQFGDVWLATSPG-BMFZPTHFSA-N 2 1 278.465 3.095 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431274 376756511 /nfs/dbraw/zinc/75/65/11/376756511.db2.gz IVBFUYDDZAKGDE-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339431274 376756518 /nfs/dbraw/zinc/75/65/18/376756518.db2.gz IVBFUYDDZAKGDE-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339431274 376756522 /nfs/dbraw/zinc/75/65/22/376756522.db2.gz IVBFUYDDZAKGDE-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000245506617 376834277 /nfs/dbraw/zinc/83/42/77/376834277.db2.gz OFRMAVAHKZWZLL-BFYDXBDKSA-N 2 1 272.436 3.475 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CC=CCC1 ZINC000245759157 376903496 /nfs/dbraw/zinc/90/34/96/376903496.db2.gz PIYWDKANDVVIIP-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000557506622 376939278 /nfs/dbraw/zinc/93/92/78/376939278.db2.gz VIAJOQYUTGHEHZ-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000557506622 376939284 /nfs/dbraw/zinc/93/92/84/376939284.db2.gz VIAJOQYUTGHEHZ-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000246095095 376965209 /nfs/dbraw/zinc/96/52/09/376965209.db2.gz IWVDLVMCEHLDDF-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000246095095 376965215 /nfs/dbraw/zinc/96/52/15/376965215.db2.gz IWVDLVMCEHLDDF-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000246095095 376965222 /nfs/dbraw/zinc/96/52/22/376965222.db2.gz IWVDLVMCEHLDDF-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000246117354 376969803 /nfs/dbraw/zinc/96/98/03/376969803.db2.gz YFJGZPUYHVUSCO-SJLPKXTDSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000558501290 377015461 /nfs/dbraw/zinc/01/54/61/377015461.db2.gz KHKDEFXNZKSWBJ-ARFHVFGLSA-N 2 1 262.441 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000558501290 377015468 /nfs/dbraw/zinc/01/54/68/377015468.db2.gz KHKDEFXNZKSWBJ-ARFHVFGLSA-N 2 1 262.441 3.497 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC23CCCC3)CCCO1 ZINC000340369333 377023321 /nfs/dbraw/zinc/02/33/21/377023321.db2.gz HBAAJFLWTPQLPJ-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC23CCCC3)CCCO1 ZINC000340369333 377023325 /nfs/dbraw/zinc/02/33/25/377023325.db2.gz HBAAJFLWTPQLPJ-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246414494 377025655 /nfs/dbraw/zinc/02/56/55/377025655.db2.gz BTSMVPPOOHXVET-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246414494 377025659 /nfs/dbraw/zinc/02/56/59/377025659.db2.gz BTSMVPPOOHXVET-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246414494 377025663 /nfs/dbraw/zinc/02/56/63/377025663.db2.gz BTSMVPPOOHXVET-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246414494 377025667 /nfs/dbraw/zinc/02/56/67/377025667.db2.gz BTSMVPPOOHXVET-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC000246547407 377049102 /nfs/dbraw/zinc/04/91/02/377049102.db2.gz WILRGHAHZUSUHS-HZPDHXFCSA-N 2 1 275.440 3.100 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000558225862 376986530 /nfs/dbraw/zinc/98/65/30/376986530.db2.gz JOVUYKHIFZDJIB-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000246282630 377004315 /nfs/dbraw/zinc/00/43/15/377004315.db2.gz BQBWAZYXFNJTIV-HUUCEWRRSA-N 2 1 264.413 3.298 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000246282630 377004320 /nfs/dbraw/zinc/00/43/20/377004320.db2.gz BQBWAZYXFNJTIV-HUUCEWRRSA-N 2 1 264.413 3.298 20 0 CGADMP CCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000246303967 377008823 /nfs/dbraw/zinc/00/88/23/377008823.db2.gz DHGSPHHHFNRLMP-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558919397 377054771 /nfs/dbraw/zinc/05/47/71/377054771.db2.gz JJYDEOBCXUEHIQ-XDKFSHSGSA-N 2 1 272.436 3.108 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000340445241 377063252 /nfs/dbraw/zinc/06/32/52/377063252.db2.gz QFQPSCXFCFNDOS-BGTYHANMSA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)CSCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246618714 377063881 /nfs/dbraw/zinc/06/38/81/377063881.db2.gz IHHDKQOPZZLPEN-HOTGVXAUSA-N 2 1 284.513 3.182 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246618714 377063893 /nfs/dbraw/zinc/06/38/93/377063893.db2.gz IHHDKQOPZZLPEN-HOTGVXAUSA-N 2 1 284.513 3.182 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246618714 377063904 /nfs/dbraw/zinc/06/39/04/377063904.db2.gz IHHDKQOPZZLPEN-HOTGVXAUSA-N 2 1 284.513 3.182 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000246674274 377069264 /nfs/dbraw/zinc/06/92/64/377069264.db2.gz FQEXQGKETLWJOH-RBSFLKMASA-N 2 1 270.486 3.077 20 0 CGADMP CCS[C@@H]1CC[C@@H]([NH+](C)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000246674274 377069268 /nfs/dbraw/zinc/06/92/68/377069268.db2.gz FQEXQGKETLWJOH-RBSFLKMASA-N 2 1 270.486 3.077 20 0 CGADMP CCS[C@@H]1CC[C@@H]([NH+](C)CC[C@H]2CCC[N@H+]2C)C1 ZINC000246674274 377069274 /nfs/dbraw/zinc/06/92/74/377069274.db2.gz FQEXQGKETLWJOH-RBSFLKMASA-N 2 1 270.486 3.077 20 0 CGADMP CCc1cccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246788794 377090187 /nfs/dbraw/zinc/09/01/87/377090187.db2.gz OYWFEIVLCNTLOU-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246788794 377090197 /nfs/dbraw/zinc/09/01/97/377090197.db2.gz OYWFEIVLCNTLOU-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246788794 377090206 /nfs/dbraw/zinc/09/02/06/377090206.db2.gz OYWFEIVLCNTLOU-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246788794 377090211 /nfs/dbraw/zinc/09/02/11/377090211.db2.gz OYWFEIVLCNTLOU-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCCCC1 ZINC000559898198 377105567 /nfs/dbraw/zinc/10/55/67/377105567.db2.gz YMWHITVNXCQNLG-QSPRXWTASA-N 2 1 264.457 3.133 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000247014643 377138819 /nfs/dbraw/zinc/13/88/19/377138819.db2.gz MLQFBNMCHXUEGA-BZSNNMDCSA-N 2 1 294.483 3.069 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247080652 377155324 /nfs/dbraw/zinc/15/53/24/377155324.db2.gz NNUCWVZOGIVNEK-ZVDSWSACSA-N 2 1 284.513 3.369 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000340583603 377157077 /nfs/dbraw/zinc/15/70/77/377157077.db2.gz HYXCHSMHKAEDNJ-UHFFFAOYSA-N 2 1 289.467 3.213 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000247255797 377185197 /nfs/dbraw/zinc/18/51/97/377185197.db2.gz YQRBXJWLMRNFDO-MELADBBJSA-N 2 1 294.414 3.358 20 0 CGADMP Cc1ccc(SCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247975715 377253212 /nfs/dbraw/zinc/25/32/12/377253212.db2.gz KRXLGKRJNBQIAO-GJZGRUSLSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247993122 377255119 /nfs/dbraw/zinc/25/51/19/377255119.db2.gz JQHNYXOVYJHVLA-KYHPRHEASA-N 2 1 274.452 3.417 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000561975370 377260113 /nfs/dbraw/zinc/26/01/13/377260113.db2.gz KDNOSOUVKJZLKM-VAMGGRTRSA-N 2 1 298.474 3.454 20 0 CGADMP CCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000561981972 377261143 /nfs/dbraw/zinc/26/11/43/377261143.db2.gz HPFOCYIHYZYXMV-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000561981972 377261149 /nfs/dbraw/zinc/26/11/49/377261149.db2.gz HPFOCYIHYZYXMV-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000561981972 377261154 /nfs/dbraw/zinc/26/11/54/377261154.db2.gz HPFOCYIHYZYXMV-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000561981972 377261159 /nfs/dbraw/zinc/26/11/59/377261159.db2.gz HPFOCYIHYZYXMV-QAPCUYQASA-N 2 1 290.451 3.247 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000248429239 377316374 /nfs/dbraw/zinc/31/63/74/377316374.db2.gz SXOZWWHRHMGNCC-BBWFWOEESA-N 2 1 264.457 3.300 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccnc1 ZINC000248392088 377303854 /nfs/dbraw/zinc/30/38/54/377303854.db2.gz CUXZBFIFSQLQPD-ZOBUZTSGSA-N 2 1 287.451 3.385 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387707 377304527 /nfs/dbraw/zinc/30/45/27/377304527.db2.gz PPVZCJVDVDQFKZ-NVXWUHKLSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387707 377304538 /nfs/dbraw/zinc/30/45/38/377304538.db2.gz PPVZCJVDVDQFKZ-NVXWUHKLSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387707 377304546 /nfs/dbraw/zinc/30/45/46/377304546.db2.gz PPVZCJVDVDQFKZ-NVXWUHKLSA-N 2 1 292.442 3.420 20 0 CGADMP FCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248396966 377305575 /nfs/dbraw/zinc/30/55/75/377305575.db2.gz HNRUIYWLNUKCBM-OKZBNKHCSA-N 2 1 290.426 3.236 20 0 CGADMP COc1ccc([C@H](C)[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000563353622 377445170 /nfs/dbraw/zinc/44/51/70/377445170.db2.gz DYXVOUOEOUUYLS-AWEZNQCLSA-N 2 1 287.407 3.054 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000563353622 377445180 /nfs/dbraw/zinc/44/51/80/377445180.db2.gz DYXVOUOEOUUYLS-AWEZNQCLSA-N 2 1 287.407 3.054 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000563351359 377445757 /nfs/dbraw/zinc/44/57/57/377445757.db2.gz ZLJDAEVDKBEBNY-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000563358038 377448291 /nfs/dbraw/zinc/44/82/91/377448291.db2.gz VRPZAHHCRMDIOT-SFHVURJKSA-N 2 1 283.419 3.498 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000563358038 377448295 /nfs/dbraw/zinc/44/82/95/377448295.db2.gz VRPZAHHCRMDIOT-SFHVURJKSA-N 2 1 283.419 3.498 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720797 249029938 /nfs/dbraw/zinc/02/99/38/249029938.db2.gz ZPIUUHBMDRVFMH-NVXWUHKLSA-N 2 1 290.451 3.438 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253744 249033116 /nfs/dbraw/zinc/03/31/16/249033116.db2.gz ACQGGLXXNGXNEY-WMHVBEDNSA-N 2 1 276.399 3.113 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253744 249033118 /nfs/dbraw/zinc/03/31/18/249033118.db2.gz ACQGGLXXNGXNEY-WMHVBEDNSA-N 2 1 276.399 3.113 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253744 249033122 /nfs/dbraw/zinc/03/31/22/249033122.db2.gz ACQGGLXXNGXNEY-WMHVBEDNSA-N 2 1 276.399 3.113 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253744 249033124 /nfs/dbraw/zinc/03/31/24/249033124.db2.gz ACQGGLXXNGXNEY-WMHVBEDNSA-N 2 1 276.399 3.113 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093463502 249037370 /nfs/dbraw/zinc/03/73/70/249037370.db2.gz ZNXGCJXTKVHZPM-ILXRZTDVSA-N 2 1 276.424 3.185 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000094837606 249042272 /nfs/dbraw/zinc/04/22/72/249042272.db2.gz VGQMVOBHBFDGCW-CYBMUJFWSA-N 2 1 264.388 3.269 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166615842 542175019 /nfs/dbraw/zinc/17/50/19/542175019.db2.gz XZYVCEQPEBNPTI-HUUCEWRRSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166615842 542175024 /nfs/dbraw/zinc/17/50/24/542175024.db2.gz XZYVCEQPEBNPTI-HUUCEWRRSA-N 2 1 284.403 3.458 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421357856 249126337 /nfs/dbraw/zinc/12/63/37/249126337.db2.gz RGMYOBMGVYTLPF-KRWDZBQOSA-N 2 1 281.403 3.287 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459519628 249154811 /nfs/dbraw/zinc/15/48/11/249154811.db2.gz YRUMTJQISNLGHF-GOSISDBHSA-N 2 1 272.436 3.480 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250192004 377556014 /nfs/dbraw/zinc/55/60/14/377556014.db2.gz KADSILHLKRHGRK-KNIAUWFNSA-N 2 1 288.410 3.288 20 0 CGADMP COc1ccc([C@H](C)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000469994384 249165859 /nfs/dbraw/zinc/16/58/59/249165859.db2.gz XHUMHZHPYAPZRO-KTFSGNIMSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251553679 377586724 /nfs/dbraw/zinc/58/67/24/377586724.db2.gz BJFHWNWKXLXISE-SUMWQHHRSA-N 2 1 254.377 3.009 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251586493 377588427 /nfs/dbraw/zinc/58/84/27/377588427.db2.gz XATLOKMZYIHJEY-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251586493 377588437 /nfs/dbraw/zinc/58/84/37/377588437.db2.gz XATLOKMZYIHJEY-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCC2 ZINC000251565221 377589209 /nfs/dbraw/zinc/58/92/09/377589209.db2.gz SXHMCMIDKAUIOC-JVPBZIDWSA-N 2 1 284.447 3.453 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000573911800 377592671 /nfs/dbraw/zinc/59/26/71/377592671.db2.gz DZQRROXKNMFZPY-SNVBAGLBSA-N 2 1 258.768 3.129 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H](C)C1 ZINC000252186237 377617779 /nfs/dbraw/zinc/61/77/79/377617779.db2.gz UIGUPOFCDBBEHJ-OTJKEOIZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H](C)C1 ZINC000252186237 377617789 /nfs/dbraw/zinc/61/77/89/377617789.db2.gz UIGUPOFCDBBEHJ-OTJKEOIZSA-N 2 1 250.430 3.028 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000181481729 542218445 /nfs/dbraw/zinc/21/84/45/542218445.db2.gz BBAMROBYKPPTEF-PBHICJAKSA-N 2 1 260.425 3.384 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC(C)(C)C1 ZINC000252674097 377649543 /nfs/dbraw/zinc/64/95/43/377649543.db2.gz OSJKIPMXQHZNPH-FXUDXRNXSA-N 2 1 264.457 3.418 20 0 CGADMP CSCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000574439205 377663606 /nfs/dbraw/zinc/66/36/06/377663606.db2.gz GVJZQBZIZCCFEG-CQSZACIVSA-N 2 1 298.521 3.173 20 0 CGADMP CSCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574439205 377663611 /nfs/dbraw/zinc/66/36/11/377663611.db2.gz GVJZQBZIZCCFEG-CQSZACIVSA-N 2 1 298.521 3.173 20 0 CGADMP CSCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574439205 377663615 /nfs/dbraw/zinc/66/36/15/377663615.db2.gz GVJZQBZIZCCFEG-CQSZACIVSA-N 2 1 298.521 3.173 20 0 CGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cc(F)ccc1F ZINC000574463377 377668000 /nfs/dbraw/zinc/66/80/00/377668000.db2.gz TUWSLHCQXMKTCU-INIZCTEOSA-N 2 1 293.361 3.372 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000574470493 377669220 /nfs/dbraw/zinc/66/92/20/377669220.db2.gz QMZVDMZGPWZDFR-IBGZPJMESA-N 2 1 286.463 3.390 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000253629701 377703207 /nfs/dbraw/zinc/70/32/07/377703207.db2.gz MGAAOVSJNHWYAH-IKGGRYGDSA-N 2 1 276.399 3.493 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000342589818 377677392 /nfs/dbraw/zinc/67/73/92/377677392.db2.gz VKSJYWPYRNMVAI-UHFFFAOYSA-N 2 1 283.419 3.494 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000342589818 377677403 /nfs/dbraw/zinc/67/74/03/377677403.db2.gz VKSJYWPYRNMVAI-UHFFFAOYSA-N 2 1 283.419 3.494 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000253196779 377680760 /nfs/dbraw/zinc/68/07/60/377680760.db2.gz TYUNRBKWPGKCIE-BFYDXBDKSA-N 2 1 260.425 3.097 20 0 CGADMP CC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000575185440 377759690 /nfs/dbraw/zinc/75/96/90/377759690.db2.gz FPIZQEYBPHQDOC-AWEZNQCLSA-N 2 1 278.465 3.350 20 0 CGADMP CC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000575185440 377759694 /nfs/dbraw/zinc/75/96/94/377759694.db2.gz FPIZQEYBPHQDOC-AWEZNQCLSA-N 2 1 278.465 3.350 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000342817067 377816125 /nfs/dbraw/zinc/81/61/25/377816125.db2.gz ZYFCYPZDXVXPHF-SWLSCSKDSA-N 2 1 296.842 3.169 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261574935 377821403 /nfs/dbraw/zinc/82/14/03/377821403.db2.gz BJKGWFDRPQETNG-LCGIIJARSA-N 2 1 278.827 3.460 20 0 CGADMP C(C[N@H+]1CCC2(C1)CCCCC2)[C@@H]1CCC[NH2+]C1 ZINC000261584049 377824037 /nfs/dbraw/zinc/82/40/37/377824037.db2.gz SAZBQLQQHRJSEZ-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000261606937 377825746 /nfs/dbraw/zinc/82/57/46/377825746.db2.gz BGWJMYYQITUJBG-OAHLLOKOSA-N 2 1 278.783 3.257 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000261606937 377825751 /nfs/dbraw/zinc/82/57/51/377825751.db2.gz BGWJMYYQITUJBG-OAHLLOKOSA-N 2 1 278.783 3.257 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@](C)(C[NH3+])C3)oc2cc1C ZINC000261630593 377828322 /nfs/dbraw/zinc/82/83/22/377828322.db2.gz CVOIKPGEXLMFHY-QGZVFWFLSA-N 2 1 272.392 3.220 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000261949551 377871349 /nfs/dbraw/zinc/87/13/49/377871349.db2.gz MSMKZUDDCACQFH-INIZCTEOSA-N 2 1 298.430 3.280 20 0 CGADMP CC(C)([NH3+])C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000261949719 377871950 /nfs/dbraw/zinc/87/19/50/377871950.db2.gz NSYQILYZRYFSSK-GOSISDBHSA-N 2 1 280.415 3.371 20 0 CGADMP CC(C)([NH3+])C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000261949719 377871956 /nfs/dbraw/zinc/87/19/56/377871956.db2.gz NSYQILYZRYFSSK-GOSISDBHSA-N 2 1 280.415 3.371 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C12CCCCC2 ZINC000262033413 377881783 /nfs/dbraw/zinc/88/17/83/377881783.db2.gz OGZZFUWLTOEPDZ-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)ccc2c1 ZINC000262490835 377898658 /nfs/dbraw/zinc/89/86/58/377898658.db2.gz KZURQEHVGOPFJD-YTQUADARSA-N 2 1 296.414 3.018 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C2CC2)cc1C ZINC000262086741 377887094 /nfs/dbraw/zinc/88/70/94/377887094.db2.gz ULFQLCDISLYUIR-SFHVURJKSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)c(C)c1 ZINC000262137854 377888621 /nfs/dbraw/zinc/88/86/21/377888621.db2.gz YVWGDTWJQZOMCU-SJLPKXTDSA-N 2 1 272.436 3.092 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261734867 377847996 /nfs/dbraw/zinc/84/79/96/377847996.db2.gz HSHJIYIGFLPRCY-DLBZAZTESA-N 2 1 258.409 3.132 20 0 CGADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261805579 377854852 /nfs/dbraw/zinc/85/48/52/377854852.db2.gz OKJVQHSMZSFBNI-SFHVURJKSA-N 2 1 290.451 3.034 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000261815092 377857839 /nfs/dbraw/zinc/85/78/39/377857839.db2.gz HYIKDULBAYYIHE-AWEZNQCLSA-N 2 1 289.448 3.036 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000261815092 377857845 /nfs/dbraw/zinc/85/78/45/377857845.db2.gz HYIKDULBAYYIHE-AWEZNQCLSA-N 2 1 289.448 3.036 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC000262575027 377902142 /nfs/dbraw/zinc/90/21/42/377902142.db2.gz XZTMBVQWDNDDOX-BMGDILEWSA-N 2 1 296.414 3.018 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000265976740 190220327 /nfs/dbraw/zinc/22/03/27/190220327.db2.gz BYRAVGNFMFSXSQ-CVEARBPZSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000265976740 190220328 /nfs/dbraw/zinc/22/03/28/190220328.db2.gz BYRAVGNFMFSXSQ-CVEARBPZSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000265976740 190220329 /nfs/dbraw/zinc/22/03/29/190220329.db2.gz BYRAVGNFMFSXSQ-CVEARBPZSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000265976740 190220330 /nfs/dbraw/zinc/22/03/30/190220330.db2.gz BYRAVGNFMFSXSQ-CVEARBPZSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)s1 ZINC000183950344 542233722 /nfs/dbraw/zinc/23/37/22/542233722.db2.gz DIZLTOLAQOWFGA-LBPRGKRZSA-N 2 1 281.469 3.224 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000343624613 378046120 /nfs/dbraw/zinc/04/61/20/378046120.db2.gz QVDJWZGJNXGNBI-ZWKOTPCHSA-N 2 1 272.436 3.208 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1Cc2ccccc2C1 ZINC000578407727 378066397 /nfs/dbraw/zinc/06/63/97/378066397.db2.gz SUVJZVUJOMGXRT-UHFFFAOYSA-N 2 1 286.463 3.209 20 0 CGADMP CCCOCc1ccccc1CN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000343560943 378021691 /nfs/dbraw/zinc/02/16/91/378021691.db2.gz HMSIMIFQHTUNGJ-QAPCUYQASA-N 2 1 290.451 3.043 20 0 CGADMP CCCOCc1ccccc1CN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000343560943 378021693 /nfs/dbraw/zinc/02/16/93/378021693.db2.gz HMSIMIFQHTUNGJ-QAPCUYQASA-N 2 1 290.451 3.043 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c2c1 ZINC000578905091 378112731 /nfs/dbraw/zinc/11/27/31/378112731.db2.gz HESIJACUKGWHRM-OAHLLOKOSA-N 2 1 295.430 3.170 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@H]3CC[N@H+](C4CC4)C3)[nH+]c2c1 ZINC000578905091 378112738 /nfs/dbraw/zinc/11/27/38/378112738.db2.gz HESIJACUKGWHRM-OAHLLOKOSA-N 2 1 295.430 3.170 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CC1 ZINC000578951191 378116172 /nfs/dbraw/zinc/11/61/72/378116172.db2.gz ROLXKDAZGCQOMI-KRWDZBQOSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)CC1 ZINC000578951191 378116176 /nfs/dbraw/zinc/11/61/76/378116176.db2.gz ROLXKDAZGCQOMI-KRWDZBQOSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)CC1 ZINC000578951191 378116179 /nfs/dbraw/zinc/11/61/79/378116179.db2.gz ROLXKDAZGCQOMI-KRWDZBQOSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1C[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268810388 378117417 /nfs/dbraw/zinc/11/74/17/378117417.db2.gz NSRJLPLDSULLNK-HOCLYGCPSA-N 2 1 290.426 3.078 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c[nH]c2c1 ZINC000268817238 378120735 /nfs/dbraw/zinc/12/07/35/378120735.db2.gz NYXCCASNBIMNAD-ZBFHGGJFSA-N 2 1 285.435 3.091 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000268822626 378122555 /nfs/dbraw/zinc/12/25/55/378122555.db2.gz PSMCWVFQWDMIPJ-AWEZNQCLSA-N 2 1 257.381 3.159 20 0 CGADMP CO[C@@H](C)CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000343904894 378129055 /nfs/dbraw/zinc/12/90/55/378129055.db2.gz AERIOFSMNAVWIP-INIZCTEOSA-N 2 1 292.467 3.159 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268855051 378131737 /nfs/dbraw/zinc/13/17/37/378131737.db2.gz LFXWDGKNHMVNQG-AWEZNQCLSA-N 2 1 287.407 3.249 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000268869328 378136551 /nfs/dbraw/zinc/13/65/51/378136551.db2.gz FXLUMGCYEWCWED-BGTYHANMSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000268869328 378136558 /nfs/dbraw/zinc/13/65/58/378136558.db2.gz FXLUMGCYEWCWED-BGTYHANMSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000269113013 378189233 /nfs/dbraw/zinc/18/92/33/378189233.db2.gz VZLHOAPLYREJIJ-MPGHIAIKSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000269113013 378189237 /nfs/dbraw/zinc/18/92/37/378189237.db2.gz VZLHOAPLYREJIJ-MPGHIAIKSA-N 2 1 272.436 3.428 20 0 CGADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)cc1 ZINC000269132866 378190703 /nfs/dbraw/zinc/19/07/03/378190703.db2.gz MWZMHCCJVMAJNU-SFHVURJKSA-N 2 1 299.418 3.427 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)cc1 ZINC000269132866 378190707 /nfs/dbraw/zinc/19/07/07/378190707.db2.gz MWZMHCCJVMAJNU-SFHVURJKSA-N 2 1 299.418 3.427 20 0 CGADMP CCC(CC)[C@@H](NC[C@H](O)C[N@@H+](C)CC)c1cccs1 ZINC000579854886 378203265 /nfs/dbraw/zinc/20/32/65/378203265.db2.gz OBDIMPZDNUKRJI-GOEBONIOSA-N 2 1 298.496 3.128 20 0 CGADMP CCC(CC)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1cccs1 ZINC000579854886 378203268 /nfs/dbraw/zinc/20/32/68/378203268.db2.gz OBDIMPZDNUKRJI-GOEBONIOSA-N 2 1 298.496 3.128 20 0 CGADMP CCC(CC)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1cccs1 ZINC000579854886 378203271 /nfs/dbraw/zinc/20/32/71/378203271.db2.gz OBDIMPZDNUKRJI-GOEBONIOSA-N 2 1 298.496 3.128 20 0 CGADMP COCCC[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000268991618 378167979 /nfs/dbraw/zinc/16/79/79/378167979.db2.gz RJAFWIBRCWHLCY-DLBZAZTESA-N 2 1 292.467 3.302 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000268995809 378168720 /nfs/dbraw/zinc/16/87/20/378168720.db2.gz KNXOGLZMNOZDEU-KBPBESRZSA-N 2 1 271.408 3.226 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268999250 378170357 /nfs/dbraw/zinc/17/03/57/378170357.db2.gz JDEGJPBMWDIXFK-UXLLHSPISA-N 2 1 292.492 3.381 20 0 CGADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268999250 378170360 /nfs/dbraw/zinc/17/03/60/378170360.db2.gz JDEGJPBMWDIXFK-UXLLHSPISA-N 2 1 292.492 3.381 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000269969605 378288854 /nfs/dbraw/zinc/28/88/54/378288854.db2.gz NWRUVSGMVGXXAB-KRWDZBQOSA-N 2 1 269.392 3.167 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000583663447 378338690 /nfs/dbraw/zinc/33/86/90/378338690.db2.gz FFMNYRAPELIDQS-GJZGRUSLSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000583663447 378338694 /nfs/dbraw/zinc/33/86/94/378338694.db2.gz FFMNYRAPELIDQS-GJZGRUSLSA-N 2 1 280.431 3.465 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCc1ccc(F)cc1Cl ZINC000583804780 378349336 /nfs/dbraw/zinc/34/93/36/378349336.db2.gz BHCJSEUALDRWIA-WBMJQRKESA-N 2 1 298.833 3.294 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCc1ccc(F)cc1Cl ZINC000583804780 378349342 /nfs/dbraw/zinc/34/93/42/378349342.db2.gz BHCJSEUALDRWIA-WBMJQRKESA-N 2 1 298.833 3.294 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCc1ccc(F)cc1Cl ZINC000583804780 378349347 /nfs/dbraw/zinc/34/93/47/378349347.db2.gz BHCJSEUALDRWIA-WBMJQRKESA-N 2 1 298.833 3.294 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000583804780 378349352 /nfs/dbraw/zinc/34/93/52/378349352.db2.gz BHCJSEUALDRWIA-WBMJQRKESA-N 2 1 298.833 3.294 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccccc1Cl ZINC000584001902 378365518 /nfs/dbraw/zinc/36/55/18/378365518.db2.gz DMMWPYRDLDIQKJ-UHFFFAOYSA-N 2 1 277.799 3.138 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccccc1Cl ZINC000584001902 378365523 /nfs/dbraw/zinc/36/55/23/378365523.db2.gz DMMWPYRDLDIQKJ-UHFFFAOYSA-N 2 1 277.799 3.138 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000270846814 378406460 /nfs/dbraw/zinc/40/64/60/378406460.db2.gz GZTDKDSRYWYUOV-CQSZACIVSA-N 2 1 269.392 3.417 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000270846814 378406463 /nfs/dbraw/zinc/40/64/63/378406463.db2.gz GZTDKDSRYWYUOV-CQSZACIVSA-N 2 1 269.392 3.417 20 0 CGADMP C[N@@H+](Cc1cnc2ccccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000271063817 378444829 /nfs/dbraw/zinc/44/48/29/378444829.db2.gz HQDAYGKLMNGXDH-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[N@H+](Cc1cnc2ccccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000271063817 378444839 /nfs/dbraw/zinc/44/48/39/378444839.db2.gz HQDAYGKLMNGXDH-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cnc2ccccc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000271063817 378444843 /nfs/dbraw/zinc/44/48/43/378444843.db2.gz HQDAYGKLMNGXDH-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cnc2ccccc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000271063817 378444847 /nfs/dbraw/zinc/44/48/47/378444847.db2.gz HQDAYGKLMNGXDH-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2)C(F)F)CC1 ZINC000271201335 378481745 /nfs/dbraw/zinc/48/17/45/378481745.db2.gz BMGACUBLFJGKRK-INIZCTEOSA-N 2 1 296.405 3.184 20 0 CGADMP CC[C@H](C)[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000346335883 378548712 /nfs/dbraw/zinc/54/87/12/378548712.db2.gz ZFRPWCYQHOQXIU-HNNXBMFYSA-N 2 1 271.408 3.492 20 0 CGADMP CC[C@H](C)[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000346335883 378548716 /nfs/dbraw/zinc/54/87/16/378548716.db2.gz ZFRPWCYQHOQXIU-HNNXBMFYSA-N 2 1 271.408 3.492 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@](C)(OC)C2CC2)CC1 ZINC000637905550 378626151 /nfs/dbraw/zinc/62/61/51/378626151.db2.gz LFMBXDUYLJOKFS-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000346594321 378637171 /nfs/dbraw/zinc/63/71/71/378637171.db2.gz MNMVONQCVNIXDX-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000346594321 378637178 /nfs/dbraw/zinc/63/71/78/378637178.db2.gz MNMVONQCVNIXDX-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000346629602 378653784 /nfs/dbraw/zinc/65/37/84/378653784.db2.gz BHEXDOJJOBXAAD-HUUCEWRRSA-N 2 1 288.435 3.177 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346820711 378693196 /nfs/dbraw/zinc/69/31/96/378693196.db2.gz IFPABXWQFUSXSM-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1C ZINC000346847426 378694887 /nfs/dbraw/zinc/69/48/87/378694887.db2.gz MLSDWCBPKVOTTF-WMZOPIPTSA-N 2 1 272.436 3.440 20 0 CGADMP c1ccc(SC[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346975599 378702516 /nfs/dbraw/zinc/70/25/16/378702516.db2.gz JLXZTLCDIAKUBQ-JKSUJKDBSA-N 2 1 290.476 3.100 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000638114691 378704171 /nfs/dbraw/zinc/70/41/71/378704171.db2.gz LADOLHSNPGIEBJ-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000638114691 378704173 /nfs/dbraw/zinc/70/41/73/378704173.db2.gz LADOLHSNPGIEBJ-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000638114691 378704176 /nfs/dbraw/zinc/70/41/76/378704176.db2.gz LADOLHSNPGIEBJ-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3ncccc23)CC[N@@H+]1C ZINC000638116204 378705283 /nfs/dbraw/zinc/70/52/83/378705283.db2.gz HZHXEIPYOMMDQJ-GOEBONIOSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3ncccc23)CC[N@H+]1C ZINC000638116204 378705287 /nfs/dbraw/zinc/70/52/87/378705287.db2.gz HZHXEIPYOMMDQJ-GOEBONIOSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3ncccc23)CC[NH+]1C ZINC000638116204 378705293 /nfs/dbraw/zinc/70/52/93/378705293.db2.gz HZHXEIPYOMMDQJ-GOEBONIOSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3ncccc23)CC[NH+]1C ZINC000638116204 378705299 /nfs/dbraw/zinc/70/52/99/378705299.db2.gz HZHXEIPYOMMDQJ-GOEBONIOSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]([NH2+]C1(C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272853270 378712536 /nfs/dbraw/zinc/71/25/36/378712536.db2.gz SXJPSGMIWVVUSX-NVXWUHKLSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347932292 378732700 /nfs/dbraw/zinc/73/27/00/378732700.db2.gz MAIVDXFOSMZIFX-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccoc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000266170405 190237310 /nfs/dbraw/zinc/23/73/10/190237310.db2.gz QXSBEOZXVMNCNS-CQSZACIVSA-N 2 1 252.402 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CC(C)(C)Oc1ccccc1 ZINC000638385738 378787688 /nfs/dbraw/zinc/78/76/88/378787688.db2.gz JPVXULNGPOGLSK-UHFFFAOYSA-N 2 1 287.407 3.029 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784737 218011865 /nfs/dbraw/zinc/01/18/65/218011865.db2.gz YJGSQYBONIURLL-HBUWYVDXSA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784737 218011868 /nfs/dbraw/zinc/01/18/68/218011868.db2.gz YJGSQYBONIURLL-HBUWYVDXSA-N 2 1 283.419 3.053 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000638443527 378804398 /nfs/dbraw/zinc/80/43/98/378804398.db2.gz NKZUAEFBEDIHPA-IRXDYDNUSA-N 2 1 294.483 3.212 20 0 CGADMP Clc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346843535 218034656 /nfs/dbraw/zinc/03/46/56/218034656.db2.gz JWRGCPBLSWYVAT-GDBMZVCRSA-N 2 1 292.854 3.347 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158041 378817763 /nfs/dbraw/zinc/81/77/63/378817763.db2.gz HAZIMZBZXKNERC-FUHWJXTLSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158041 378817770 /nfs/dbraw/zinc/81/77/70/378817770.db2.gz HAZIMZBZXKNERC-FUHWJXTLSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158041 378817778 /nfs/dbraw/zinc/81/77/78/378817778.db2.gz HAZIMZBZXKNERC-FUHWJXTLSA-N 2 1 288.435 3.014 20 0 CGADMP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274370814 378820971 /nfs/dbraw/zinc/82/09/71/378820971.db2.gz PYRIEZCIZMTMOU-UHFFFAOYSA-N 2 1 275.440 3.338 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC000346849805 218035675 /nfs/dbraw/zinc/03/56/75/218035675.db2.gz SKHLMZJKOZYHNR-LZWOXQAQSA-N 2 1 278.827 3.208 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000346853474 218038070 /nfs/dbraw/zinc/03/80/70/218038070.db2.gz SNHXAYBWPOXXHN-UHFFFAOYSA-N 2 1 278.415 3.426 20 0 CGADMP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348305081 378897574 /nfs/dbraw/zinc/89/75/74/378897574.db2.gz HYKWQTBUROLLHV-JSGCOSHPSA-N 2 1 281.469 3.215 20 0 CGADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348305081 378897575 /nfs/dbraw/zinc/89/75/75/378897575.db2.gz HYKWQTBUROLLHV-JSGCOSHPSA-N 2 1 281.469 3.215 20 0 CGADMP C[N@@H+](CCNc1cc[nH+]c2ccccc12)Cc1ccccc1 ZINC000346939301 218064414 /nfs/dbraw/zinc/06/44/14/218064414.db2.gz HOUOOAMTJFKCAA-UHFFFAOYSA-N 2 1 291.398 3.201 20 0 CGADMP CCCCOc1ccccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347004688 218089203 /nfs/dbraw/zinc/08/92/03/218089203.db2.gz AOFWELRPTLXDCG-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CCCCOc1ccccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347004688 218089204 /nfs/dbraw/zinc/08/92/04/218089204.db2.gz AOFWELRPTLXDCG-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346996289 218085446 /nfs/dbraw/zinc/08/54/46/218085446.db2.gz WKAGDAWXFVLJLP-AEFFLSMTSA-N 2 1 272.436 3.440 20 0 CGADMP F[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000348342326 378918744 /nfs/dbraw/zinc/91/87/44/378918744.db2.gz ZHBRZGBUHNLEPA-WBVHZDCISA-N 2 1 276.399 3.131 20 0 CGADMP F[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000348342324 378919053 /nfs/dbraw/zinc/91/90/53/378919053.db2.gz ZHBRZGBUHNLEPA-NVXWUHKLSA-N 2 1 276.399 3.131 20 0 CGADMP CSc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275303961 378955356 /nfs/dbraw/zinc/95/53/56/378955356.db2.gz QOZKLYDOQVTRIM-BBRMVZONSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275303961 378955362 /nfs/dbraw/zinc/95/53/62/378955362.db2.gz QOZKLYDOQVTRIM-BBRMVZONSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275303961 378955370 /nfs/dbraw/zinc/95/53/70/378955370.db2.gz QOZKLYDOQVTRIM-BBRMVZONSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275303961 378955374 /nfs/dbraw/zinc/95/53/74/378955374.db2.gz QOZKLYDOQVTRIM-BBRMVZONSA-N 2 1 278.465 3.181 20 0 CGADMP CCS[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348483708 378966306 /nfs/dbraw/zinc/96/63/06/378966306.db2.gz ZOOBTXHERDWQJM-LSDHHAIUSA-N 2 1 281.469 3.236 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)CCC1 ZINC000429381010 284732165 /nfs/dbraw/zinc/73/21/65/284732165.db2.gz QRAIEJUMWFSFCT-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300141280 296285505 /nfs/dbraw/zinc/28/55/05/296285505.db2.gz RLWCQXKPXVKLEP-BARDWOONSA-N 2 1 250.430 3.028 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347110205 218125172 /nfs/dbraw/zinc/12/51/72/218125172.db2.gz PDXLCFQFCXFARU-NSHDSACASA-N 2 1 278.783 3.257 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347110205 218125174 /nfs/dbraw/zinc/12/51/74/218125174.db2.gz PDXLCFQFCXFARU-NSHDSACASA-N 2 1 278.783 3.257 20 0 CGADMP CCC(=O)CC[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000276857615 379008605 /nfs/dbraw/zinc/00/86/05/379008605.db2.gz JXKPYQCFJTYYOE-OAHLLOKOSA-N 2 1 299.418 3.178 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347200407 218153235 /nfs/dbraw/zinc/15/32/35/218153235.db2.gz JJQJBRSBKUJPHY-ZDUSSCGKSA-N 2 1 266.816 3.128 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1C[C@H]1C ZINC000348971236 379127407 /nfs/dbraw/zinc/12/74/07/379127407.db2.gz XYGDHRIEJJZBGB-PBHICJAKSA-N 2 1 260.425 3.226 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc3ccccc3c2)CC1 ZINC000277556681 379186306 /nfs/dbraw/zinc/18/63/06/379186306.db2.gz RIYMFKKHWQUUMM-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)CC1 ZINC000277556681 379186312 /nfs/dbraw/zinc/18/63/12/379186312.db2.gz RIYMFKKHWQUUMM-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP CCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277531658 379182552 /nfs/dbraw/zinc/18/25/52/379182552.db2.gz PXIJBVDBDNIROS-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277531658 379182558 /nfs/dbraw/zinc/18/25/58/379182558.db2.gz PXIJBVDBDNIROS-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)s1 ZINC000349382564 379261425 /nfs/dbraw/zinc/26/14/25/379261425.db2.gz JQBLGNBUQXWYHX-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(cccc2F)[nH]1 ZINC000349383322 379262336 /nfs/dbraw/zinc/26/23/36/379262336.db2.gz LREVQGASABCYFN-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cccc2F)[nH]1 ZINC000349383322 379262338 /nfs/dbraw/zinc/26/23/38/379262338.db2.gz LREVQGASABCYFN-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000639360360 379318585 /nfs/dbraw/zinc/31/85/85/379318585.db2.gz WADMSYDJNCGLRD-CYGHRXIMSA-N 2 1 272.436 3.000 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000349816344 379396928 /nfs/dbraw/zinc/39/69/28/379396928.db2.gz MQOPJCXILFTCNA-UHFFFAOYSA-N 2 1 278.415 3.439 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000349816344 379396935 /nfs/dbraw/zinc/39/69/35/379396935.db2.gz MQOPJCXILFTCNA-UHFFFAOYSA-N 2 1 278.415 3.439 20 0 CGADMP Cn1ccnc1[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000374346848 379427007 /nfs/dbraw/zinc/42/70/07/379427007.db2.gz AFPIVYWNTXBOEY-NSHDSACASA-N 2 1 284.388 3.024 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC000278952556 194227783 /nfs/dbraw/zinc/22/77/83/194227783.db2.gz LMIDLUSAQSXTNU-TZMCWYRMSA-N 2 1 289.448 3.475 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000374605619 379466436 /nfs/dbraw/zinc/46/64/36/379466436.db2.gz SHEXWLMYBHMVNH-SXLOBPIMSA-N 2 1 298.474 3.472 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c(C)s1 ZINC000374627210 379471014 /nfs/dbraw/zinc/47/10/14/379471014.db2.gz WSBWKXSTNMMRFX-UHFFFAOYSA-N 2 1 278.465 3.425 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c(C)s1 ZINC000374627210 379471022 /nfs/dbraw/zinc/47/10/22/379471022.db2.gz WSBWKXSTNMMRFX-UHFFFAOYSA-N 2 1 278.465 3.425 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581841 379489309 /nfs/dbraw/zinc/48/93/09/379489309.db2.gz ZOTSWMATCKVXEI-ZOBUZTSGSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757316 379572319 /nfs/dbraw/zinc/57/23/19/379572319.db2.gz FVEFQCUJRLGPFI-ZDUSSCGKSA-N 2 1 294.389 3.444 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCCCCF)CC1 ZINC000289442084 197349339 /nfs/dbraw/zinc/34/93/39/197349339.db2.gz TXXFXUSXAIBUBT-UHFFFAOYSA-N 2 1 280.387 3.373 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000352536003 379846680 /nfs/dbraw/zinc/84/66/80/379846680.db2.gz YHGOHXIXNJHVQN-GOSISDBHSA-N 2 1 272.436 3.187 20 0 CGADMP COCc1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352545098 379850116 /nfs/dbraw/zinc/85/01/16/379850116.db2.gz FSXUSEWLSNVBLW-UHFFFAOYSA-N 2 1 290.451 3.174 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000352546123 379853029 /nfs/dbraw/zinc/85/30/29/379853029.db2.gz PUQWSUCSZCHXGS-INIZCTEOSA-N 2 1 278.465 3.123 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000352546124 379853527 /nfs/dbraw/zinc/85/35/27/379853527.db2.gz PUQWSUCSZCHXGS-MRXNPFEDSA-N 2 1 278.465 3.123 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCC1 ZINC000379043623 379858913 /nfs/dbraw/zinc/85/89/13/379858913.db2.gz CDLPSWYMTLWPTQ-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCC1CCOCC1 ZINC000640533372 379820498 /nfs/dbraw/zinc/82/04/98/379820498.db2.gz GPHOLYHUAIWHJU-UHFFFAOYSA-N 2 1 296.499 3.391 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC23CCCCC3)C[NH2+]1 ZINC000399072092 379934859 /nfs/dbraw/zinc/93/48/59/379934859.db2.gz FIVGYKNPCZODEN-KFWWJZLASA-N 2 1 250.430 3.220 20 0 CGADMP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352771510 379951848 /nfs/dbraw/zinc/95/18/48/379951848.db2.gz NPHUZINNPCAZBL-GXTWGEPZSA-N 2 1 281.469 3.263 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000401758125 379958551 /nfs/dbraw/zinc/95/85/51/379958551.db2.gz GECUMEZALKVUOC-OAHLLOKOSA-N 2 1 285.435 3.309 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000410394595 380093537 /nfs/dbraw/zinc/09/35/37/380093537.db2.gz BZRHLLZNBJZJSH-JKSUJKDBSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000410394595 380093541 /nfs/dbraw/zinc/09/35/41/380093541.db2.gz BZRHLLZNBJZJSH-JKSUJKDBSA-N 2 1 254.462 3.332 20 0 CGADMP C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353086839 380108850 /nfs/dbraw/zinc/10/88/50/380108850.db2.gz XGLPQRHTKBYKGA-LSDHHAIUSA-N 2 1 275.440 3.454 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000641798675 380111820 /nfs/dbraw/zinc/11/18/20/380111820.db2.gz GOGDUTWMJQYPRM-INIZCTEOSA-N 2 1 299.418 3.128 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643033876 380206885 /nfs/dbraw/zinc/20/68/85/380206885.db2.gz QUZJDQSHYZVDHT-XHDPSFHLSA-N 2 1 287.794 3.076 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([NH2+]C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000643502557 380326137 /nfs/dbraw/zinc/32/61/37/380326137.db2.gz KAMYYCRLODLHHA-IXDOHACOSA-N 2 1 258.409 3.054 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507259 380330268 /nfs/dbraw/zinc/33/02/68/380330268.db2.gz XJKPYWWBQHCKEB-IRXDYDNUSA-N 2 1 258.409 3.054 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1cc(F)ccc1F ZINC000643508110 380332269 /nfs/dbraw/zinc/33/22/69/380332269.db2.gz KYCBTHKPEOTAMA-HNNXBMFYSA-N 2 1 270.367 3.394 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+](CCC[NH3+])C1CC1 ZINC000414672322 380363451 /nfs/dbraw/zinc/36/34/51/380363451.db2.gz HEQAZILCNGKKNC-LLVKDONJSA-N 2 1 252.789 3.214 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](CCC[NH3+])C1CC1 ZINC000414672322 380363458 /nfs/dbraw/zinc/36/34/58/380363458.db2.gz HEQAZILCNGKKNC-LLVKDONJSA-N 2 1 252.789 3.214 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cn1 ZINC000643548712 380365600 /nfs/dbraw/zinc/36/56/00/380365600.db2.gz UCKUUKXJKKADCO-DGCLKSJQSA-N 2 1 279.815 3.060 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414702978 380381983 /nfs/dbraw/zinc/38/19/83/380381983.db2.gz MBRITJJBOCTXJV-OIISXLGYSA-N 2 1 290.426 3.078 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414708385 380383161 /nfs/dbraw/zinc/38/31/61/380383161.db2.gz ZURXMCPKXAGWLR-OXGONZEZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414745746 380390978 /nfs/dbraw/zinc/39/09/78/380390978.db2.gz PVVPKCNUOYMJOY-RKVPGOIHSA-N 2 1 290.426 3.177 20 0 CGADMP CCCCCOc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526310 380343115 /nfs/dbraw/zinc/34/31/15/380343115.db2.gz ZACOQCCVHDKHHF-KBPBESRZSA-N 2 1 264.413 3.253 20 0 CGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528862 380345503 /nfs/dbraw/zinc/34/55/03/380345503.db2.gz QGKNOVWKMDOZDT-NWDGAFQWSA-N 2 1 289.448 3.425 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000643529077 380346710 /nfs/dbraw/zinc/34/67/10/380346710.db2.gz ULKHSGAZLNRTNO-AAEUAGOBSA-N 2 1 287.432 3.124 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000414648778 380350727 /nfs/dbraw/zinc/35/07/27/380350727.db2.gz BKRSYFGLPPZGGY-KRWDZBQOSA-N 2 1 274.452 3.284 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4occc4c3)C2)C1 ZINC000354177205 380354589 /nfs/dbraw/zinc/35/45/89/380354589.db2.gz OHGXQKNNYQMRHN-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4occc4c3)C2)C1 ZINC000354177205 380354598 /nfs/dbraw/zinc/35/45/98/380354598.db2.gz OHGXQKNNYQMRHN-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4occc4c3)C2)C1 ZINC000354177205 380354605 /nfs/dbraw/zinc/35/46/05/380354605.db2.gz OHGXQKNNYQMRHN-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4occc4c3)C2)C1 ZINC000354177205 380354614 /nfs/dbraw/zinc/35/46/14/380354614.db2.gz OHGXQKNNYQMRHN-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000414759903 380395385 /nfs/dbraw/zinc/39/53/85/380395385.db2.gz FXVJKGPBUDWGOI-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414832497 380439749 /nfs/dbraw/zinc/43/97/49/380439749.db2.gz DPXSKUYEFCDKAL-KSZLIROESA-N 2 1 274.452 3.460 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414831157 380439847 /nfs/dbraw/zinc/43/98/47/380439847.db2.gz CBNYZSOAUNUFLT-IJLUTSLNSA-N 2 1 266.351 3.071 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1F ZINC000414830637 380440558 /nfs/dbraw/zinc/44/05/58/380440558.db2.gz BGJQRNUGSCKZKA-UKRRQHHQSA-N 2 1 266.404 3.110 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414834734 380441635 /nfs/dbraw/zinc/44/16/35/380441635.db2.gz GZOHOLQPHNYYCO-GOSISDBHSA-N 2 1 283.419 3.212 20 0 CGADMP Cc1cc(C[NH2+]CC2([NH3+])CCCCC2)cc2cccnc12 ZINC000414839842 380445441 /nfs/dbraw/zinc/44/54/41/380445441.db2.gz JSBPHBQGWVVKMH-UHFFFAOYSA-N 2 1 283.419 3.294 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1coc2ccccc12)C1CCCCC1 ZINC000414855578 380458437 /nfs/dbraw/zinc/45/84/37/380458437.db2.gz XCDXKRXSEGJZTG-INIZCTEOSA-N 2 1 272.392 3.430 20 0 CGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414772785 380398600 /nfs/dbraw/zinc/39/86/00/380398600.db2.gz CLCUYRAIVLYIOK-KBPBESRZSA-N 2 1 296.817 3.301 20 0 CGADMP Fc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777893 380401159 /nfs/dbraw/zinc/40/11/59/380401159.db2.gz IOJWFNXUNARZTR-OLZOCXBDSA-N 2 1 296.817 3.301 20 0 CGADMP C[C@@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(C)(C)C ZINC000643973662 380403618 /nfs/dbraw/zinc/40/36/18/380403618.db2.gz YTZUTOCDRGWNPS-UONOGXRCSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CC(C)(C)c1ccccc1)CC[NH2+]CC2 ZINC000643973770 380403630 /nfs/dbraw/zinc/40/36/30/380403630.db2.gz IPKLSWYROCTEPX-MRXNPFEDSA-N 2 1 286.463 3.428 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000414794212 380408328 /nfs/dbraw/zinc/40/83/28/380408328.db2.gz FKHXXNIPFMUXKF-NBMRYCAZSA-N 2 1 272.436 3.286 20 0 CGADMP CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1F ZINC000414853394 380456383 /nfs/dbraw/zinc/45/63/83/380456383.db2.gz SHBBMZAKJLPLTP-MRXNPFEDSA-N 2 1 294.414 3.222 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000414854374 380456485 /nfs/dbraw/zinc/45/64/85/380456485.db2.gz UZAGWEVTIMXBHH-CYBMUJFWSA-N 2 1 274.330 3.168 20 0 CGADMP CCC(C)(C)C1CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000414804804 380417934 /nfs/dbraw/zinc/41/79/34/380417934.db2.gz PBUKANKTNLDNJP-NRXISQOPSA-N 2 1 252.446 3.308 20 0 CGADMP CCCCCOc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OC ZINC000414809654 380422274 /nfs/dbraw/zinc/42/22/74/380422274.db2.gz VXQCWQPSHGULIE-UHFFFAOYSA-N 2 1 294.439 3.091 20 0 CGADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H](C)C[NH3+] ZINC000414926406 380491566 /nfs/dbraw/zinc/49/15/66/380491566.db2.gz KLQHMRGWECRMNX-DOMZBBRYSA-N 2 1 268.832 3.234 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC000414953709 380501891 /nfs/dbraw/zinc/50/18/91/380501891.db2.gz RUIGQLYCOFLMPC-BXKDBHETSA-N 2 1 290.304 3.075 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC000414953710 380501971 /nfs/dbraw/zinc/50/19/71/380501971.db2.gz RUIGQLYCOFLMPC-CABZTGNLSA-N 2 1 290.304 3.075 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CCCC1 ZINC000415073120 380507736 /nfs/dbraw/zinc/50/77/36/380507736.db2.gz ZCMAAPIXKYVSLV-XHSDSOJGSA-N 2 1 250.430 3.062 20 0 CGADMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000414859138 380459587 /nfs/dbraw/zinc/45/95/87/380459587.db2.gz MDTXKVLJVKPUMD-UHFFFAOYSA-N 2 1 284.403 3.061 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000414866944 380465369 /nfs/dbraw/zinc/46/53/69/380465369.db2.gz HYRYUWKPIINJHH-IRXDYDNUSA-N 2 1 260.425 3.220 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880598 380472292 /nfs/dbraw/zinc/47/22/92/380472292.db2.gz QMZJGWRBOCNXHC-NVXWUHKLSA-N 2 1 289.467 3.366 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCCO2)C1 ZINC000189312904 296313170 /nfs/dbraw/zinc/31/31/70/296313170.db2.gz IEYNORSTSORSEM-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189312904 296313171 /nfs/dbraw/zinc/31/31/71/296313171.db2.gz IEYNORSTSORSEM-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189312904 296313173 /nfs/dbraw/zinc/31/31/73/296313173.db2.gz IEYNORSTSORSEM-KURKYZTESA-N 2 1 294.483 3.142 20 0 CGADMP C1=C(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000645837944 380747755 /nfs/dbraw/zinc/74/77/55/380747755.db2.gz UYGXKOBARIXMOY-DOTOQJQBSA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000645837944 380747760 /nfs/dbraw/zinc/74/77/60/380747760.db2.gz UYGXKOBARIXMOY-DOTOQJQBSA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000645837944 380747763 /nfs/dbraw/zinc/74/77/63/380747763.db2.gz UYGXKOBARIXMOY-DOTOQJQBSA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000645837944 380747770 /nfs/dbraw/zinc/74/77/70/380747770.db2.gz UYGXKOBARIXMOY-DOTOQJQBSA-N 2 1 260.425 3.045 20 0 CGADMP CSC1(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCC1 ZINC000356088888 380790739 /nfs/dbraw/zinc/79/07/39/380790739.db2.gz CVXCZIDWSWFKAX-OAHLLOKOSA-N 2 1 284.513 3.230 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000646050416 380810250 /nfs/dbraw/zinc/81/02/50/380810250.db2.gz FBYZEVZBSKHMBG-JKSUJKDBSA-N 2 1 275.440 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000646050416 380810258 /nfs/dbraw/zinc/81/02/58/380810258.db2.gz FBYZEVZBSKHMBG-JKSUJKDBSA-N 2 1 275.440 3.340 20 0 CGADMP c1csc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420296847 380846037 /nfs/dbraw/zinc/84/60/37/380846037.db2.gz CDPLILWVVVGRMI-KGLIPLIRSA-N 2 1 264.438 3.275 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CC[C@H]2CC[NH2+]C2)c(C)c1 ZINC000420322092 380849361 /nfs/dbraw/zinc/84/93/61/380849361.db2.gz RWYBJOUYMUGBPO-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1csc([C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420315093 380849434 /nfs/dbraw/zinc/84/94/34/380849434.db2.gz KVBSHPZAOQOXJI-LSDHHAIUSA-N 2 1 293.480 3.368 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC[N@@H+]1C ZINC000356840444 380895695 /nfs/dbraw/zinc/89/56/95/380895695.db2.gz JFXKECLLNDFTFY-DTZQCDIJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC[N@H+]1C ZINC000356840444 380895704 /nfs/dbraw/zinc/89/57/04/380895704.db2.gz JFXKECLLNDFTFY-DTZQCDIJSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)[NH+]1CCC(C)CC1 ZINC000356862391 380905314 /nfs/dbraw/zinc/90/53/14/380905314.db2.gz ZRAGUGRZXGWSKT-KZNAEPCWSA-N 2 1 296.499 3.148 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000572558442 322343869 /nfs/dbraw/zinc/34/38/69/322343869.db2.gz AUEHKLFKZZKBRV-ULQDDVLXSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccnc1 ZINC000359056368 381336137 /nfs/dbraw/zinc/33/61/37/381336137.db2.gz QDLZVZKONCDKAY-DAWZGUTISA-N 2 1 287.451 3.385 20 0 CGADMP Cc1csc([C@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)n1 ZINC000359227583 381341511 /nfs/dbraw/zinc/34/15/11/381341511.db2.gz WQUNENKYTSGFRK-OAHLLOKOSA-N 2 1 293.480 3.368 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cncs1 ZINC000359926911 381381237 /nfs/dbraw/zinc/38/12/37/381381237.db2.gz TYFKIQSUBFVDFY-HZSPNIEDSA-N 2 1 281.469 3.162 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncs1 ZINC000359926911 381381239 /nfs/dbraw/zinc/38/12/39/381381239.db2.gz TYFKIQSUBFVDFY-HZSPNIEDSA-N 2 1 281.469 3.162 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000289010840 197211958 /nfs/dbraw/zinc/21/19/58/197211958.db2.gz ABOVJWYTTCNICY-OAHLLOKOSA-N 2 1 272.392 3.206 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000289010840 197211960 /nfs/dbraw/zinc/21/19/60/197211960.db2.gz ABOVJWYTTCNICY-OAHLLOKOSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000289010840 197211962 /nfs/dbraw/zinc/21/19/62/197211962.db2.gz ABOVJWYTTCNICY-OAHLLOKOSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000289010840 197211963 /nfs/dbraw/zinc/21/19/63/197211963.db2.gz ABOVJWYTTCNICY-OAHLLOKOSA-N 2 1 272.392 3.206 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000334856768 207195110 /nfs/dbraw/zinc/19/51/10/207195110.db2.gz KSAQKBSAOYVFKA-ZWNOBZJWSA-N 2 1 278.783 3.174 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000334866682 207212824 /nfs/dbraw/zinc/21/28/24/207212824.db2.gz BPPXPJYHAMKKEL-PKOBYXMFSA-N 2 1 295.430 3.199 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCOC ZINC000361175318 381659696 /nfs/dbraw/zinc/65/96/96/381659696.db2.gz NNWMJKYBTNGZEZ-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCOC ZINC000361175318 381659708 /nfs/dbraw/zinc/65/97/08/381659708.db2.gz NNWMJKYBTNGZEZ-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361397949 381731385 /nfs/dbraw/zinc/73/13/85/381731385.db2.gz ZOJFFAMYRPJRIB-KZNAEPCWSA-N 2 1 272.436 3.206 20 0 CGADMP CCCC1CCC([N@@H+](C)CCn2ccnc2C)CC1 ZINC000362165064 381893877 /nfs/dbraw/zinc/89/38/77/381893877.db2.gz UDWOZDJGRXIPBT-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CCCC1CCC([N@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000362165064 381893883 /nfs/dbraw/zinc/89/38/83/381893883.db2.gz UDWOZDJGRXIPBT-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CCCC1CCC([N@@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000362165064 381893888 /nfs/dbraw/zinc/89/38/88/381893888.db2.gz UDWOZDJGRXIPBT-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000226541664 542292227 /nfs/dbraw/zinc/29/22/27/542292227.db2.gz GRTIFBVPBYIWQK-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000362912851 382144453 /nfs/dbraw/zinc/14/44/53/382144453.db2.gz JAZTXMVRPHEUBP-CYBMUJFWSA-N 2 1 261.413 3.140 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362910744 382145325 /nfs/dbraw/zinc/14/53/25/382145325.db2.gz FMUKVBXEACWSAR-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCCCC(F)(F)F)CC2 ZINC000364645832 382273863 /nfs/dbraw/zinc/27/38/63/382273863.db2.gz LNWVCZJJEIZRLI-UHFFFAOYSA-N 2 1 278.362 3.279 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCCCC(F)(F)F)CC2 ZINC000364645832 382273871 /nfs/dbraw/zinc/27/38/71/382273871.db2.gz LNWVCZJJEIZRLI-UHFFFAOYSA-N 2 1 278.362 3.279 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC12CCOCC2 ZINC000367058295 382331397 /nfs/dbraw/zinc/33/13/97/382331397.db2.gz RVLRXSJFZOGRQP-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367177042 382337992 /nfs/dbraw/zinc/33/79/92/382337992.db2.gz UOJCZEXBSZNVES-UHFFFAOYSA-N 2 1 299.393 3.322 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252109448 542348672 /nfs/dbraw/zinc/34/86/72/542348672.db2.gz HODKBWUAIDWBKG-SDKNFDLMSA-N 2 1 250.430 3.170 20 0 CGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250519563 542343016 /nfs/dbraw/zinc/34/30/16/542343016.db2.gz AJDCOGNSWJKENQ-VYDXJSESSA-N 2 1 288.460 3.191 20 0 CGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250519563 542343022 /nfs/dbraw/zinc/34/30/22/542343022.db2.gz AJDCOGNSWJKENQ-VYDXJSESSA-N 2 1 288.460 3.191 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000251873169 542348636 /nfs/dbraw/zinc/34/86/36/542348636.db2.gz UPAKUWHGMUKPFF-XYPHTWIQSA-N 2 1 258.409 3.123 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC000261745864 285031736 /nfs/dbraw/zinc/03/17/36/285031736.db2.gz BURGSDLBKAUOIA-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000335253064 208035248 /nfs/dbraw/zinc/03/52/48/208035248.db2.gz GPNXRQGHFNALKN-ZFWWWQNUSA-N 2 1 285.435 3.357 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1C ZINC000335253064 208035252 /nfs/dbraw/zinc/03/52/52/208035252.db2.gz GPNXRQGHFNALKN-ZFWWWQNUSA-N 2 1 285.435 3.357 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424372576 533058341 /nfs/dbraw/zinc/05/83/41/533058341.db2.gz ICSXZUKYJSTPBQ-MRVWCRGKSA-N 2 1 264.438 3.329 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425930518 533060055 /nfs/dbraw/zinc/06/00/55/533060055.db2.gz IMGORZKOPKAGCK-OLZOCXBDSA-N 2 1 266.454 3.257 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000353749421 220301456 /nfs/dbraw/zinc/30/14/56/220301456.db2.gz SUCCGHAXTIDINZ-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000353749421 220301462 /nfs/dbraw/zinc/30/14/62/220301462.db2.gz SUCCGHAXTIDINZ-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000353749421 220301467 /nfs/dbraw/zinc/30/14/67/220301467.db2.gz SUCCGHAXTIDINZ-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000353749421 220301469 /nfs/dbraw/zinc/30/14/69/220301469.db2.gz SUCCGHAXTIDINZ-RDJZCZTQSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353773837 220322046 /nfs/dbraw/zinc/32/20/46/220322046.db2.gz FEFDTGIKWMHZNN-FZCLSBEQSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353773837 220322052 /nfs/dbraw/zinc/32/20/52/220322052.db2.gz FEFDTGIKWMHZNN-FZCLSBEQSA-N 2 1 272.436 3.428 20 0 CGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncc[nH]2)c1 ZINC000285906383 542389592 /nfs/dbraw/zinc/38/95/92/542389592.db2.gz CZZFUGNKDVWSAL-CQSZACIVSA-N 2 1 286.423 3.101 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncc[nH]2)c1 ZINC000285906383 542389595 /nfs/dbraw/zinc/38/95/95/542389595.db2.gz CZZFUGNKDVWSAL-CQSZACIVSA-N 2 1 286.423 3.101 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261540914 572525346 /nfs/dbraw/zinc/52/53/46/572525346.db2.gz AOPPRHXUFGODNS-BXUZGUMPSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261540914 572525356 /nfs/dbraw/zinc/52/53/56/572525356.db2.gz AOPPRHXUFGODNS-BXUZGUMPSA-N 2 1 252.789 3.072 20 0 CGADMP COC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000446759120 285399259 /nfs/dbraw/zinc/39/92/59/285399259.db2.gz NMRLBDKWOAZIKO-WMZOPIPTSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000423002162 533358614 /nfs/dbraw/zinc/35/86/14/533358614.db2.gz YKVNHAOVVRKJQG-CQSZACIVSA-N 2 1 281.403 3.168 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CCCC[C@@H]1C ZINC000449284451 533380605 /nfs/dbraw/zinc/38/06/05/533380605.db2.gz PEVXVAPOWLTTFK-MLHJIOFPSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCCC[C@@H]1C ZINC000449284451 533380611 /nfs/dbraw/zinc/38/06/11/533380611.db2.gz PEVXVAPOWLTTFK-MLHJIOFPSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(SCC(F)F)cc1 ZINC000423368845 533498353 /nfs/dbraw/zinc/49/83/53/533498353.db2.gz NRPQBEGLSLLFCT-VHSXEESVSA-N 2 1 274.380 3.042 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000423359978 533498981 /nfs/dbraw/zinc/49/89/81/533498981.db2.gz DWKZIYLUUAZEAO-UONOGXRCSA-N 2 1 254.377 3.351 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000415124616 533539193 /nfs/dbraw/zinc/53/91/93/533539193.db2.gz OQUITUCHGCLUAI-GXTWGEPZSA-N 2 1 296.842 3.169 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(C)s1 ZINC000070148733 392177126 /nfs/dbraw/zinc/17/71/26/392177126.db2.gz ABGWXIFZRYDVHL-CQSZACIVSA-N 2 1 252.427 3.068 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOC2CCCCCC2)CC1 ZINC000429554678 542652029 /nfs/dbraw/zinc/65/20/29/542652029.db2.gz JZKCPLHTIROGJA-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000361260447 392270210 /nfs/dbraw/zinc/27/02/10/392270210.db2.gz BXWZYTWOTHKUHJ-HOTGVXAUSA-N 2 1 284.513 3.468 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2[nH]1 ZINC000285808611 392332166 /nfs/dbraw/zinc/33/21/66/392332166.db2.gz WHOHUQWUGBDQSF-XJKSGUPXSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000285931250 392350789 /nfs/dbraw/zinc/35/07/89/392350789.db2.gz FHCJUVKCFXQJSC-JKSUJKDBSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000285931250 392350796 /nfs/dbraw/zinc/35/07/96/392350796.db2.gz FHCJUVKCFXQJSC-JKSUJKDBSA-N 2 1 275.440 3.161 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246442744 131095094 /nfs/dbraw/zinc/09/50/94/131095094.db2.gz WWWZFLIVPJHKEB-STQMWFEESA-N 2 1 266.816 3.285 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246442744 131095095 /nfs/dbraw/zinc/09/50/95/131095095.db2.gz WWWZFLIVPJHKEB-STQMWFEESA-N 2 1 266.816 3.285 20 0 CGADMP CN(CC[NH+](C)C)c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000443892693 542667860 /nfs/dbraw/zinc/66/78/60/542667860.db2.gz ZERQHJCHKTZXIX-UHFFFAOYSA-N 2 1 297.324 3.251 20 0 CGADMP CC/C=C\C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453326503 542680690 /nfs/dbraw/zinc/68/06/90/542680690.db2.gz SGXUSWXDKQTWMM-PHCRLAQASA-N 2 1 258.409 3.378 20 0 CGADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453326503 542680693 /nfs/dbraw/zinc/68/06/93/542680693.db2.gz SGXUSWXDKQTWMM-PHCRLAQASA-N 2 1 258.409 3.378 20 0 CGADMP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453337764 542681360 /nfs/dbraw/zinc/68/13/60/542681360.db2.gz ZYFVHHMXOXLSRX-RBUKOAKNSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453337764 542681361 /nfs/dbraw/zinc/68/13/61/542681361.db2.gz ZYFVHHMXOXLSRX-RBUKOAKNSA-N 2 1 295.430 3.315 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126562336 392442961 /nfs/dbraw/zinc/44/29/61/392442961.db2.gz DTVWCPCIQTWDFJ-KZNAEPCWSA-N 2 1 272.436 3.224 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000126565423 392442984 /nfs/dbraw/zinc/44/29/84/392442984.db2.gz BOHNGWVUBWUKEE-GVDBMIGSSA-N 2 1 290.838 3.024 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000126564977 392443010 /nfs/dbraw/zinc/44/30/10/392443010.db2.gz BOHNGWVUBWUKEE-BRWVUGGUSA-N 2 1 290.838 3.024 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C(C)C)cc1F ZINC000153700709 392525411 /nfs/dbraw/zinc/52/54/11/392525411.db2.gz IDQKFYPDWSNWPA-GFCCVEGCSA-N 2 1 275.371 3.454 20 0 CGADMP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC000291639543 392474667 /nfs/dbraw/zinc/47/46/67/392474667.db2.gz SZBWZGCSHBIFPU-INIZCTEOSA-N 2 1 267.376 3.099 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000152009009 392493618 /nfs/dbraw/zinc/49/36/18/392493618.db2.gz JQHNYXOVYJHVLA-NBOOPKSLSA-N 2 1 274.452 3.417 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292259019 392502397 /nfs/dbraw/zinc/50/23/97/392502397.db2.gz YKSDUJANEQPKLK-SFHVURJKSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292259019 392502402 /nfs/dbraw/zinc/50/24/02/392502402.db2.gz YKSDUJANEQPKLK-SFHVURJKSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292259019 392502409 /nfs/dbraw/zinc/50/24/09/392502409.db2.gz YKSDUJANEQPKLK-SFHVURJKSA-N 2 1 288.435 3.001 20 0 CGADMP CC(C)Oc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292259019 392502416 /nfs/dbraw/zinc/50/24/16/392502416.db2.gz YKSDUJANEQPKLK-SFHVURJKSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000157947196 392551850 /nfs/dbraw/zinc/55/18/50/392551850.db2.gz HPFRONQENDRDMN-GJZGRUSLSA-N 2 1 264.413 3.442 20 0 CGADMP CC(C)C(C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C(C)C ZINC000302619595 392617907 /nfs/dbraw/zinc/61/79/07/392617907.db2.gz ZSTAHGSMYWKIKP-HNNXBMFYSA-N 2 1 254.462 3.235 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c2ccccc12 ZINC000319561265 392670845 /nfs/dbraw/zinc/67/08/45/392670845.db2.gz RRBYGNCGQVCSNW-AUUYWEPGSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374165 392662841 /nfs/dbraw/zinc/66/28/41/392662841.db2.gz KOSQRKMZNKXNTB-JYJNAYRXSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374165 392662846 /nfs/dbraw/zinc/66/28/46/392662846.db2.gz KOSQRKMZNKXNTB-JYJNAYRXSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000647344086 392692968 /nfs/dbraw/zinc/69/29/68/392692968.db2.gz ISAVIINILHXRFG-OIISXLGYSA-N 2 1 274.452 3.356 20 0 CGADMP C[C@H](CC[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482581 392736200 /nfs/dbraw/zinc/73/62/00/392736200.db2.gz QULCDBWSEQJGOO-OAHLLOKOSA-N 2 1 272.436 3.397 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000647485290 392739281 /nfs/dbraw/zinc/73/92/81/392739281.db2.gz MEWOGGZGXGSIFF-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647498428 392742822 /nfs/dbraw/zinc/74/28/22/392742822.db2.gz GXKQFNLAONBPAP-FUHWJXTLSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cc(N[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1N(C)C ZINC000182851821 392749321 /nfs/dbraw/zinc/74/93/21/392749321.db2.gz XNTYZHICEHIYHH-DZKIICNBSA-N 2 1 275.440 3.202 20 0 CGADMP COCCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183186251 392754366 /nfs/dbraw/zinc/75/43/66/392754366.db2.gz NDTIQGMJQXZLLA-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000334869406 392755885 /nfs/dbraw/zinc/75/58/85/392755885.db2.gz VRSPRJKSPAUKHW-ZIAGYGMSSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000179561732 392701866 /nfs/dbraw/zinc/70/18/66/392701866.db2.gz OZYVKTMQOZFZBM-YLQAJVPDSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000179561732 392701874 /nfs/dbraw/zinc/70/18/74/392701874.db2.gz OZYVKTMQOZFZBM-YLQAJVPDSA-N 2 1 276.399 3.275 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000186116190 392777719 /nfs/dbraw/zinc/77/77/19/392777719.db2.gz PFDRMTVJXQBQRY-GFCCVEGCSA-N 2 1 294.464 3.282 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000375641781 392799121 /nfs/dbraw/zinc/79/91/21/392799121.db2.gz PAAVDPLKUOETBX-UHFFFAOYSA-N 2 1 285.391 3.354 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC=C(c2ccco2)C1 ZINC000375641781 392799128 /nfs/dbraw/zinc/79/91/28/392799128.db2.gz PAAVDPLKUOETBX-UHFFFAOYSA-N 2 1 285.391 3.354 20 0 CGADMP C[C@H](F)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000375723970 392810967 /nfs/dbraw/zinc/81/09/67/392810967.db2.gz SXAVBZDYTUERLV-HNNXBMFYSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@H](F)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000375723970 392810972 /nfs/dbraw/zinc/81/09/72/392810972.db2.gz SXAVBZDYTUERLV-HNNXBMFYSA-N 2 1 278.415 3.331 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000510753997 392815112 /nfs/dbraw/zinc/81/51/12/392815112.db2.gz MVZCNOZPDGCIBM-OKZBNKHCSA-N 2 1 276.468 3.419 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000510753997 392815118 /nfs/dbraw/zinc/81/51/18/392815118.db2.gz MVZCNOZPDGCIBM-OKZBNKHCSA-N 2 1 276.468 3.419 20 0 CGADMP C[C@H](C1CC1)[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647879584 392820715 /nfs/dbraw/zinc/82/07/15/392820715.db2.gz UTSXFRVBPCQZRG-CYBMUJFWSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](CC)c1ccccc1 ZINC000647878615 392820748 /nfs/dbraw/zinc/82/07/48/392820748.db2.gz UBBOOFTYFKTBDP-DOTOQJQBSA-N 2 1 260.425 3.459 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000647874588 392820919 /nfs/dbraw/zinc/82/09/19/392820919.db2.gz BKWZSWFUXYEOAD-SFHVURJKSA-N 2 1 272.436 3.386 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000510966791 392821905 /nfs/dbraw/zinc/82/19/05/392821905.db2.gz JETVNZITYRAYFC-DOTOQJQBSA-N 2 1 290.451 3.177 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000510966791 392821907 /nfs/dbraw/zinc/82/19/07/392821907.db2.gz JETVNZITYRAYFC-DOTOQJQBSA-N 2 1 290.451 3.177 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902823 392829062 /nfs/dbraw/zinc/82/90/62/392829062.db2.gz CNCHPYVNHROJIN-GDBMZVCRSA-N 2 1 290.476 3.373 20 0 CGADMP FC1(F)CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336252939 392844084 /nfs/dbraw/zinc/84/40/84/392844084.db2.gz DEPDNIOEKBWBQZ-KGLIPLIRSA-N 2 1 272.383 3.028 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902826 392829117 /nfs/dbraw/zinc/82/91/17/392829117.db2.gz CNCHPYVNHROJIN-ZBFHGGJFSA-N 2 1 290.476 3.373 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000336356854 392851026 /nfs/dbraw/zinc/85/10/26/392851026.db2.gz NBHQLJQAJPODHR-BLLLJJGKSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000336356854 392851029 /nfs/dbraw/zinc/85/10/29/392851029.db2.gz NBHQLJQAJPODHR-BLLLJJGKSA-N 2 1 278.827 3.211 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000513658974 392853837 /nfs/dbraw/zinc/85/38/37/392853837.db2.gz ADURBPUFVPUGIM-YRXWBPOGSA-N 2 1 284.447 3.006 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)C1 ZINC000516215311 392864106 /nfs/dbraw/zinc/86/41/06/392864106.db2.gz PBXGIADDNVUNSB-OGWHTMIXSA-N 2 1 286.463 3.499 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000401585434 392950751 /nfs/dbraw/zinc/95/07/51/392950751.db2.gz MQONKJZPRVGMET-WCXIOVBPSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000401453890 392951140 /nfs/dbraw/zinc/95/11/40/392951140.db2.gz BIVVWXYNQXWVNG-XHSDSOJGSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)C[C@@H]1c1ccccc1 ZINC000340258553 392968830 /nfs/dbraw/zinc/96/88/30/392968830.db2.gz WFMPODYNZAIREF-YESZJQIVSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)C[C@@H]1c1ccccc1 ZINC000340258553 392968834 /nfs/dbraw/zinc/96/88/34/392968834.db2.gz WFMPODYNZAIREF-YESZJQIVSA-N 2 1 290.476 3.307 20 0 CGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340360299 392969857 /nfs/dbraw/zinc/96/98/57/392969857.db2.gz SNANODYCLDPBIF-SJORKVTESA-N 2 1 290.451 3.227 20 0 CGADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340360299 392969864 /nfs/dbraw/zinc/96/98/64/392969864.db2.gz SNANODYCLDPBIF-SJORKVTESA-N 2 1 290.451 3.227 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2cc(F)ccc21 ZINC000343612783 393030407 /nfs/dbraw/zinc/03/04/07/393030407.db2.gz QQSVNFZMICZAHJ-ZFWWWQNUSA-N 2 1 299.393 3.437 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000648424247 393011254 /nfs/dbraw/zinc/01/12/54/393011254.db2.gz NNNLCNMUVLCJFN-GBESFXJTSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000648424247 393011255 /nfs/dbraw/zinc/01/12/55/393011255.db2.gz NNNLCNMUVLCJFN-GBESFXJTSA-N 2 1 284.447 3.150 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000648452223 393023794 /nfs/dbraw/zinc/02/37/94/393023794.db2.gz ODRWXHYEZIWNKA-ROUUACIJSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000648452039 393023849 /nfs/dbraw/zinc/02/38/49/393023849.db2.gz BSKHNFPOQUKHMQ-HOCLYGCPSA-N 2 1 282.472 3.044 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OCC ZINC000415005900 393088917 /nfs/dbraw/zinc/08/89/17/393088917.db2.gz AZWIRMPIFQZFRD-KBPBESRZSA-N 2 1 294.439 3.090 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000415006618 393089952 /nfs/dbraw/zinc/08/99/52/393089952.db2.gz KSHCLGWFJVOAPZ-GHMZBOCLSA-N 2 1 278.396 3.380 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415017644 393098411 /nfs/dbraw/zinc/09/84/11/393098411.db2.gz QISREIXJMUEUND-KBPBESRZSA-N 2 1 284.403 3.188 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415039584 393109715 /nfs/dbraw/zinc/10/97/15/393109715.db2.gz JFGRJBTZZZGUEL-BBRMVZONSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415039584 393109721 /nfs/dbraw/zinc/10/97/21/393109721.db2.gz JFGRJBTZZZGUEL-BBRMVZONSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000414654630 393049928 /nfs/dbraw/zinc/04/99/28/393049928.db2.gz GHUUIQXYSQWGED-NRSFXHEJSA-N 2 1 272.436 3.166 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246588423 393061613 /nfs/dbraw/zinc/06/16/13/393061613.db2.gz GNGIABGOVHFIFT-LRDDRELGSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246588423 393061618 /nfs/dbraw/zinc/06/16/18/393061618.db2.gz GNGIABGOVHFIFT-LRDDRELGSA-N 2 1 278.827 3.211 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(Cl)c1 ZINC000414956383 393062871 /nfs/dbraw/zinc/06/28/71/393062871.db2.gz PPFFXDKCCCPHGA-LALPHHSUSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414957304 393065270 /nfs/dbraw/zinc/06/52/70/393065270.db2.gz OHOUUAJRNDFPPP-PBHICJAKSA-N 2 1 288.435 3.096 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000247062852 393070122 /nfs/dbraw/zinc/07/01/22/393070122.db2.gz XVZBCEBEMIZELN-JHJVBQTASA-N 2 1 290.373 3.181 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2occc2C)c1 ZINC000266230987 393179317 /nfs/dbraw/zinc/17/93/17/393179317.db2.gz UNJNBCNYQBBLIE-UHFFFAOYSA-N 2 1 272.392 3.330 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1cccc(Cl)c1 ZINC000415047206 393110744 /nfs/dbraw/zinc/11/07/44/393110744.db2.gz VSKROOXREKMSIN-BXUZGUMPSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415049807 393112609 /nfs/dbraw/zinc/11/26/09/393112609.db2.gz BIRPDEHRKLRBAK-CYBMUJFWSA-N 2 1 254.805 3.111 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc2cccnc12 ZINC000415049411 393113193 /nfs/dbraw/zinc/11/31/93/393113193.db2.gz AKTOTWANRQPUKI-OAHLLOKOSA-N 2 1 271.408 3.006 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415061521 393121992 /nfs/dbraw/zinc/12/19/92/393121992.db2.gz CVVJEOZGMUNUGA-PBHICJAKSA-N 2 1 260.425 3.033 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063042 393124461 /nfs/dbraw/zinc/12/44/61/393124461.db2.gz GQZGUSIUZRWMNP-YJBOKZPZSA-N 2 1 274.452 3.362 20 0 CGADMP CC1(C)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252513526 393124846 /nfs/dbraw/zinc/12/48/46/393124846.db2.gz VWHUUTYKRHFOGL-GJZGRUSLSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415088268 393140585 /nfs/dbraw/zinc/14/05/85/393140585.db2.gz WAYFOXWPEANOJE-COXVUDFISA-N 2 1 258.409 3.258 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C[C@H]1C[NH3+] ZINC000415124431 393150298 /nfs/dbraw/zinc/15/02/98/393150298.db2.gz KFCPDGOWVAIWSX-GXTWGEPZSA-N 2 1 274.433 3.318 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000415132422 393155185 /nfs/dbraw/zinc/15/51/85/393155185.db2.gz UEJUXZDLZGIBBZ-ZMSDIMECSA-N 2 1 260.425 3.097 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269031491 393219626 /nfs/dbraw/zinc/21/96/26/393219626.db2.gz DSHRCUUMDUSJLV-KYHPRHEASA-N 2 1 290.451 3.053 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269031491 393219631 /nfs/dbraw/zinc/21/96/31/393219631.db2.gz DSHRCUUMDUSJLV-KYHPRHEASA-N 2 1 290.451 3.053 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000353577858 393224806 /nfs/dbraw/zinc/22/48/06/393224806.db2.gz QPIZEZKYGNWLHV-INIZCTEOSA-N 2 1 295.515 3.102 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000353927458 393235473 /nfs/dbraw/zinc/23/54/73/393235473.db2.gz JAWOATSTXZXIHO-FGTMMUONSA-N 2 1 296.499 3.293 20 0 CGADMP CCCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000648771607 393245301 /nfs/dbraw/zinc/24/53/01/393245301.db2.gz NTUBXTJEQAXBLC-AYHJJNSGSA-N 2 1 272.436 3.354 20 0 CGADMP Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c2cc(F)ccc2[nH+]1 ZINC000352090399 393198140 /nfs/dbraw/zinc/19/81/40/393198140.db2.gz ZMLPEPNCGBLEAS-FZKQIMNGSA-N 2 1 299.393 3.213 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000469774051 393212892 /nfs/dbraw/zinc/21/28/92/393212892.db2.gz CTLDDYNCBODUIZ-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000274798414 393291227 /nfs/dbraw/zinc/29/12/27/393291227.db2.gz NYYPZUPPZWCNHE-GOEBONIOSA-N 2 1 261.413 3.164 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277305589 393308461 /nfs/dbraw/zinc/30/84/61/393308461.db2.gz UJLFENLQMCEMHN-DOTOQJQBSA-N 2 1 260.425 3.206 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccn1 ZINC000278925411 393329023 /nfs/dbraw/zinc/32/90/23/393329023.db2.gz IJMMGTSHMCRRDV-RDJZCZTQSA-N 2 1 298.434 3.218 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278952605 393329346 /nfs/dbraw/zinc/32/93/46/393329346.db2.gz LMTIISBDKMTJGY-CABCVRRESA-N 2 1 299.418 3.113 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000471221329 393277735 /nfs/dbraw/zinc/27/77/35/393277735.db2.gz SWYCSBDLASCFCH-VQIMIIECSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000471221329 393277742 /nfs/dbraw/zinc/27/77/42/393277742.db2.gz SWYCSBDLASCFCH-VQIMIIECSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000471221329 393277750 /nfs/dbraw/zinc/27/77/50/393277750.db2.gz SWYCSBDLASCFCH-VQIMIIECSA-N 2 1 288.479 3.454 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCCCC1 ZINC000475191385 393381220 /nfs/dbraw/zinc/38/12/20/393381220.db2.gz CSYCFDXPZMRJSG-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCCC1 ZINC000475191385 393381227 /nfs/dbraw/zinc/38/12/27/393381227.db2.gz CSYCFDXPZMRJSG-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000474708484 393342652 /nfs/dbraw/zinc/34/26/52/393342652.db2.gz LOMOWIFEAYZLBE-HZPDHXFCSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000474708484 393342660 /nfs/dbraw/zinc/34/26/60/393342660.db2.gz LOMOWIFEAYZLBE-HZPDHXFCSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000474717542 393344190 /nfs/dbraw/zinc/34/41/90/393344190.db2.gz XRMPGSIVNOUBAC-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000474717542 393344192 /nfs/dbraw/zinc/34/41/92/393344192.db2.gz XRMPGSIVNOUBAC-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccn1 ZINC000649411823 393415601 /nfs/dbraw/zinc/41/56/01/393415601.db2.gz HRZVVGSPXDKFKB-UHFFFAOYSA-N 2 1 275.440 3.072 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479534921 393433815 /nfs/dbraw/zinc/43/38/15/393433815.db2.gz FWCVTTCZPVCASO-SIUPPRGNSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479534921 393433818 /nfs/dbraw/zinc/43/38/18/393433818.db2.gz FWCVTTCZPVCASO-SIUPPRGNSA-N 2 1 290.426 3.392 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCCCC1 ZINC000481299433 393437668 /nfs/dbraw/zinc/43/76/68/393437668.db2.gz MLNUNGPVKOOTPV-CVEARBPZSA-N 2 1 252.446 3.275 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420284114 393449629 /nfs/dbraw/zinc/44/96/29/393449629.db2.gz COQCZUCVDHYNMD-AWEZNQCLSA-N 2 1 284.831 3.154 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420284114 393449636 /nfs/dbraw/zinc/44/96/36/393449636.db2.gz COQCZUCVDHYNMD-AWEZNQCLSA-N 2 1 284.831 3.154 20 0 CGADMP Fc1cccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420295828 393451482 /nfs/dbraw/zinc/45/14/82/393451482.db2.gz AXHHVJQMTDTBEZ-QAPCUYQASA-N 2 1 290.426 3.222 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]21 ZINC000420302772 393457415 /nfs/dbraw/zinc/45/74/15/393457415.db2.gz GNMPUMDGABGWLD-RNJTYBCJSA-N 2 1 288.410 3.262 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420303553 393457733 /nfs/dbraw/zinc/45/77/33/393457733.db2.gz KRGPOPMBVWHDCL-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CC[C@@H]1CCCCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420307596 393459142 /nfs/dbraw/zinc/45/91/42/393459142.db2.gz RMZDFDISBOVCRD-DLBZAZTESA-N 2 1 290.451 3.392 20 0 CGADMP C[N@@H+](CCOc1cccc(Cl)c1)CC[C@H]1CCC[NH2+]C1 ZINC000420318743 393463286 /nfs/dbraw/zinc/46/32/86/393463286.db2.gz ORVIKINDXJDFHN-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000420319457 393463635 /nfs/dbraw/zinc/46/36/35/393463635.db2.gz POGXARFGXQRUSZ-LSDHHAIUSA-N 2 1 276.424 3.165 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@H]2CC[NH2+]C2)s1 ZINC000420316799 393463765 /nfs/dbraw/zinc/46/37/65/393463765.db2.gz MJOFPHIOCWGNGZ-CHWSQXEVSA-N 2 1 281.469 3.006 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321102 393465091 /nfs/dbraw/zinc/46/50/91/393465091.db2.gz CHKKJMSHUWRDEC-RTBURBONSA-N 2 1 286.463 3.249 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323637 393465101 /nfs/dbraw/zinc/46/51/01/393465101.db2.gz GMYGBVUKTGUSQY-HZSPNIEDSA-N 2 1 294.389 3.347 20 0 CGADMP C[N@@H+](CCOc1ccccc1Cl)CC[C@H]1CCC[NH2+]C1 ZINC000420326230 393467517 /nfs/dbraw/zinc/46/75/17/393467517.db2.gz WZNNJTZCHXXFDQ-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420324349 393467883 /nfs/dbraw/zinc/46/78/83/393467883.db2.gz VBJSLUDZVJPFNP-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000420352378 393472314 /nfs/dbraw/zinc/47/23/14/393472314.db2.gz AIZZUTPZQUNOQY-YXJHDRRASA-N 2 1 290.451 3.248 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356441 393472862 /nfs/dbraw/zinc/47/28/62/393472862.db2.gz CXRAVLOEPHWPFH-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420359889 393475601 /nfs/dbraw/zinc/47/56/01/393475601.db2.gz LARCKQNDCAUYNQ-MJGOQNOKSA-N 2 1 286.463 3.348 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCOCc1ccccc1)C1CCCCC1 ZINC000420379195 393478150 /nfs/dbraw/zinc/47/81/50/393478150.db2.gz XNSXYHKYMWNTAO-SFHVURJKSA-N 2 1 290.451 3.091 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000420375799 393478427 /nfs/dbraw/zinc/47/84/27/393478427.db2.gz PSFTVRGXVCUZAB-QFBILLFUSA-N 2 1 280.415 3.284 20 0 CGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H](C)C1 ZINC000488733393 393549619 /nfs/dbraw/zinc/54/96/19/393549619.db2.gz PBQAQHUQOPCOOP-VCBZYWHSSA-N 2 1 295.430 3.401 20 0 CGADMP C(C[N@H+]1CC[C@H](C2CCCC2)C1)C[NH+]1CCCCC1 ZINC000420963088 393559941 /nfs/dbraw/zinc/55/99/41/393559941.db2.gz MJYRPKNESKAANG-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666770297 542814571 /nfs/dbraw/zinc/81/45/71/542814571.db2.gz RTOSOYRCWPWQOW-RDJZCZTQSA-N 2 1 260.425 3.048 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432414454 393610612 /nfs/dbraw/zinc/61/06/12/393610612.db2.gz KTEWITBHUBRWBC-DLBZAZTESA-N 2 1 290.451 3.147 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432414454 393610616 /nfs/dbraw/zinc/61/06/16/393610616.db2.gz KTEWITBHUBRWBC-DLBZAZTESA-N 2 1 290.451 3.147 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000360943238 393620739 /nfs/dbraw/zinc/62/07/39/393620739.db2.gz SLPUZJNAHNXGJG-LLVKDONJSA-N 2 1 275.421 3.093 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422805452 393644696 /nfs/dbraw/zinc/64/46/96/393644696.db2.gz GVZASJTXGUDEHO-VGMNWLOBSA-N 2 1 295.374 3.328 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCC2(CC2)CC1)C1CCCCC1 ZINC000423261273 393655624 /nfs/dbraw/zinc/65/56/24/393655624.db2.gz JIZJFASPFKJDES-HNNXBMFYSA-N 2 1 250.430 3.206 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423273749 393657442 /nfs/dbraw/zinc/65/74/42/393657442.db2.gz KZXVCVUGGYMGKX-HFBAOOFYSA-N 2 1 264.388 3.022 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C2CCCC2)o1 ZINC000423317327 393661007 /nfs/dbraw/zinc/66/10/07/393661007.db2.gz KKTKMQAFVMBODP-GDBMZVCRSA-N 2 1 262.397 3.146 20 0 CGADMP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000423368803 393663776 /nfs/dbraw/zinc/66/37/76/393663776.db2.gz NOJCTWZAHGNRBW-JQWIXIFHSA-N 2 1 272.845 3.148 20 0 CGADMP COC[C@@]1(C[NH2+][C@H](CC(C)C)c2cccs2)CCC[NH2+]1 ZINC000423430760 393666570 /nfs/dbraw/zinc/66/65/70/393666570.db2.gz QDEHWZIEFQAGMC-ZBFHGGJFSA-N 2 1 296.480 3.194 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423468545 393669413 /nfs/dbraw/zinc/66/94/13/393669413.db2.gz OMFJPPRDLAATMC-KWBADKCTSA-N 2 1 290.329 3.362 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423479444 393670162 /nfs/dbraw/zinc/67/01/62/393670162.db2.gz VGQZQESDEXBHCZ-PELKAZGASA-N 2 1 273.207 3.308 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1OC ZINC000423526370 393671590 /nfs/dbraw/zinc/67/15/90/393671590.db2.gz LIJXVXCGFZYNQY-CVEARBPZSA-N 2 1 276.424 3.253 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000423517999 393672121 /nfs/dbraw/zinc/67/21/21/393672121.db2.gz YZLRYNYTWPQJLH-PMPSAXMXSA-N 2 1 252.446 3.308 20 0 CGADMP CC[C@@H](Nc1cc2c(cn1)CCCC2)c1nccn1C ZINC000361187959 393698028 /nfs/dbraw/zinc/69/80/28/393698028.db2.gz JYIKDRLYTRNUHV-CQSZACIVSA-N 2 1 270.380 3.257 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)CC[N@H+]1C ZINC000495025785 393777117 /nfs/dbraw/zinc/77/71/17/393777117.db2.gz IDCRHYOIBMKIIL-RDBSUJKOSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499163033 393794106 /nfs/dbraw/zinc/79/41/06/393794106.db2.gz DJKRXGKDPZMMHR-RXABAKJHSA-N 2 1 284.447 3.428 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000499639018 393803005 /nfs/dbraw/zinc/80/30/05/393803005.db2.gz ZYYKBLRVEYDWEE-SQNIBIBYSA-N 2 1 298.515 3.395 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449097619 393876091 /nfs/dbraw/zinc/87/60/91/393876091.db2.gz MPWHGIKFLDXQLS-YVSFHVDLSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449097619 393876092 /nfs/dbraw/zinc/87/60/92/393876092.db2.gz MPWHGIKFLDXQLS-YVSFHVDLSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000502709851 393882548 /nfs/dbraw/zinc/88/25/48/393882548.db2.gz SVZBOSOJHDFKSF-KURKYZTESA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000502709851 393882551 /nfs/dbraw/zinc/88/25/51/393882551.db2.gz SVZBOSOJHDFKSF-KURKYZTESA-N 2 1 296.499 3.436 20 0 CGADMP COCC[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000502697695 393883288 /nfs/dbraw/zinc/88/32/88/393883288.db2.gz PYLPCOBOEZEQSB-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+](CCc1ccc(Cl)cc1)CC[C@@H]1CCC[NH+]1C ZINC000502854642 393885591 /nfs/dbraw/zinc/88/55/91/393885591.db2.gz DSTAPUUMPODRFL-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)CC[C@@H]1CCC[N@@H+]1C ZINC000502854642 393885592 /nfs/dbraw/zinc/88/55/92/393885592.db2.gz DSTAPUUMPODRFL-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)CC[C@@H]1CCC[N@H+]1C ZINC000502854642 393885596 /nfs/dbraw/zinc/88/55/96/393885596.db2.gz DSTAPUUMPODRFL-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@@H](C)C2 ZINC000449560460 393903649 /nfs/dbraw/zinc/90/36/49/393903649.db2.gz LLGKWWVZCIFVSV-CLKVLLEYSA-N 2 1 284.447 3.443 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@H](C)C2 ZINC000449560461 393903775 /nfs/dbraw/zinc/90/37/75/393903775.db2.gz LLGKWWVZCIFVSV-FZVJDINQSA-N 2 1 284.447 3.443 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCCC(C)(C)C1 ZINC000446075102 393847106 /nfs/dbraw/zinc/84/71/06/393847106.db2.gz VWISTYHFYQLPMF-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCCC(C)(C)C1 ZINC000446075102 393847108 /nfs/dbraw/zinc/84/71/08/393847108.db2.gz VWISTYHFYQLPMF-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCCC(C)(C)C1 ZINC000446075102 393847109 /nfs/dbraw/zinc/84/71/09/393847109.db2.gz VWISTYHFYQLPMF-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CCCC1 ZINC000666971563 542830863 /nfs/dbraw/zinc/83/08/63/542830863.db2.gz ZFGDVCAZWLWQRF-CQSZACIVSA-N 2 1 268.351 3.231 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555346 394016883 /nfs/dbraw/zinc/01/68/83/394016883.db2.gz AQXQUBODERRPOP-GDBMZVCRSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555346 394016887 /nfs/dbraw/zinc/01/68/87/394016887.db2.gz AQXQUBODERRPOP-GDBMZVCRSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555346 394016892 /nfs/dbraw/zinc/01/68/92/394016892.db2.gz AQXQUBODERRPOP-GDBMZVCRSA-N 2 1 250.430 3.149 20 0 CGADMP CCc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)cc[nH+]1 ZINC000450534748 394012065 /nfs/dbraw/zinc/01/20/65/394012065.db2.gz HTWASCYCXQKWJD-UHFFFAOYSA-N 2 1 287.407 3.195 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000453060759 394156448 /nfs/dbraw/zinc/15/64/48/394156448.db2.gz OGFOZNOYNBEUCP-BPQIPLTHSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000453060759 394156450 /nfs/dbraw/zinc/15/64/50/394156450.db2.gz OGFOZNOYNBEUCP-BPQIPLTHSA-N 2 1 287.451 3.009 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453100621 394170976 /nfs/dbraw/zinc/17/09/76/394170976.db2.gz XWAZLQCDBFICCZ-HOTGVXAUSA-N 2 1 277.456 3.113 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453100621 394170981 /nfs/dbraw/zinc/17/09/81/394170981.db2.gz XWAZLQCDBFICCZ-HOTGVXAUSA-N 2 1 277.456 3.113 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000453603341 394255682 /nfs/dbraw/zinc/25/56/82/394255682.db2.gz XNXTZTDWIHIKMA-SNAWJCMRSA-N 2 1 294.389 3.442 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453238923 394216373 /nfs/dbraw/zinc/21/63/73/394216373.db2.gz WUNLCZGYSAQKLJ-WMZOPIPTSA-N 2 1 289.467 3.257 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453238923 394216378 /nfs/dbraw/zinc/21/63/78/394216378.db2.gz WUNLCZGYSAQKLJ-WMZOPIPTSA-N 2 1 289.467 3.257 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453403154 394235333 /nfs/dbraw/zinc/23/53/33/394235333.db2.gz AQGKFBLDLSQZAQ-AWEZNQCLSA-N 2 1 276.424 3.220 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)oc1C ZINC000453413885 394239016 /nfs/dbraw/zinc/23/90/16/394239016.db2.gz WQLKWZCVEXNHBB-CYBMUJFWSA-N 2 1 264.413 3.421 20 0 CGADMP Cc1ccsc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453596931 394253683 /nfs/dbraw/zinc/25/36/83/394253683.db2.gz MGSCHXWPKJAJHP-UHFFFAOYSA-N 2 1 252.427 3.021 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000667518288 542883609 /nfs/dbraw/zinc/88/36/09/542883609.db2.gz WKOKUIZVDGYSMZ-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000667518288 542883610 /nfs/dbraw/zinc/88/36/10/542883610.db2.gz WKOKUIZVDGYSMZ-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000667518288 542883613 /nfs/dbraw/zinc/88/36/13/542883613.db2.gz WKOKUIZVDGYSMZ-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP Cc1cccc2[nH]c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc21 ZINC000667705317 542920012 /nfs/dbraw/zinc/92/00/12/542920012.db2.gz AZSVEQKPAOZOIL-KXBFYZLASA-N 2 1 297.446 3.392 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12CCC2 ZINC000667953161 542949595 /nfs/dbraw/zinc/94/95/95/542949595.db2.gz SETBXJPXCPNKLU-OAHLLOKOSA-N 2 1 296.418 3.279 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12CCC2 ZINC000667953161 542949597 /nfs/dbraw/zinc/94/95/97/542949597.db2.gz SETBXJPXCPNKLU-OAHLLOKOSA-N 2 1 296.418 3.279 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]2CCCC[C@@H]21 ZINC000667964612 542950582 /nfs/dbraw/zinc/95/05/82/542950582.db2.gz LZXWEWPPHPQERB-ZTFGCOKTSA-N 2 1 296.418 3.278 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]2CCCC[C@@H]21 ZINC000667964612 542950585 /nfs/dbraw/zinc/95/05/85/542950585.db2.gz LZXWEWPPHPQERB-ZTFGCOKTSA-N 2 1 296.418 3.278 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000549035057 289032598 /nfs/dbraw/zinc/03/25/98/289032598.db2.gz VJOOUNDAUGAWMW-IMJJTQAJSA-N 2 1 250.430 3.029 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668785436 543061290 /nfs/dbraw/zinc/06/12/90/543061290.db2.gz QCSLFQGFCNYTFE-SZMVWBNQSA-N 2 1 294.483 3.021 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671296629 543167014 /nfs/dbraw/zinc/16/70/14/543167014.db2.gz YKTBTFPLIJOXMM-WBVHZDCISA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000302318637 397676441 /nfs/dbraw/zinc/67/64/41/397676441.db2.gz QDZQAYQDHFMLLG-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC000650503767 397859815 /nfs/dbraw/zinc/85/98/15/397859815.db2.gz XQMXVUDGRYELAF-CYBMUJFWSA-N 2 1 292.854 3.301 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)CCC1 ZINC000429431981 292126138 /nfs/dbraw/zinc/12/61/38/292126138.db2.gz NWIIMLQLNFWFNN-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)CCC1 ZINC000429431981 292126139 /nfs/dbraw/zinc/12/61/39/292126139.db2.gz NWIIMLQLNFWFNN-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)[C@H]1CC[NH3+] ZINC000650711056 397898956 /nfs/dbraw/zinc/89/89/56/397898956.db2.gz HDDPPVJOZGFISV-WFASDCNBSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)[C@@H]1CC[NH3+] ZINC000650711416 397898966 /nfs/dbraw/zinc/89/89/66/397898966.db2.gz SYZMGEZVLMPKMS-WMLDXEAASA-N 2 1 298.434 3.026 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)[C@@H]1CC[NH3+] ZINC000650711416 397898968 /nfs/dbraw/zinc/89/89/68/397898968.db2.gz SYZMGEZVLMPKMS-WMLDXEAASA-N 2 1 298.434 3.026 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)[C@@H]1CC[NH3+] ZINC000650711416 397898971 /nfs/dbraw/zinc/89/89/71/397898971.db2.gz SYZMGEZVLMPKMS-WMLDXEAASA-N 2 1 298.434 3.026 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)[C@@H]1CC[NH3+] ZINC000650711416 397898973 /nfs/dbraw/zinc/89/89/73/397898973.db2.gz SYZMGEZVLMPKMS-WMLDXEAASA-N 2 1 298.434 3.026 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc2cccnc12 ZINC000650711119 397899218 /nfs/dbraw/zinc/89/92/18/397899218.db2.gz JFIOAQBRTHPYIJ-KSSFIOAISA-N 2 1 297.446 3.493 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724599 397902511 /nfs/dbraw/zinc/90/25/11/397902511.db2.gz IZRVPTFMJCXXLY-MWDXBVQZSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C(C)(C)C ZINC000650724437 397902580 /nfs/dbraw/zinc/90/25/80/397902580.db2.gz GGMOLYVGVURHKG-KLHDSHLOSA-N 2 1 282.472 3.029 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000552338812 289182597 /nfs/dbraw/zinc/18/25/97/289182597.db2.gz QAFYXVJBXMABCY-ABHNRTSZSA-N 2 1 272.436 3.397 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000676211619 543386978 /nfs/dbraw/zinc/38/69/78/543386978.db2.gz BDLKFRAMIWHILV-KGLIPLIRSA-N 2 1 268.470 3.389 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000676211619 543386979 /nfs/dbraw/zinc/38/69/79/543386979.db2.gz BDLKFRAMIWHILV-KGLIPLIRSA-N 2 1 268.470 3.389 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677238059 543440424 /nfs/dbraw/zinc/44/04/24/543440424.db2.gz VSSIZTMYRVSHOQ-ROUUACIJSA-N 2 1 272.436 3.062 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C2CCCC2)CC1 ZINC000677820592 543467842 /nfs/dbraw/zinc/46/78/42/543467842.db2.gz QUDBNHODKYVMEA-UHFFFAOYSA-N 2 1 275.440 3.484 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cscn1 ZINC000678113942 543484170 /nfs/dbraw/zinc/48/41/70/543484170.db2.gz PRDIWMSEPGICEE-LBPRGKRZSA-N 2 1 284.388 3.180 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(C)n1 ZINC000678411226 543520635 /nfs/dbraw/zinc/52/06/35/543520635.db2.gz JDMHHPZLTKRFDE-INIZCTEOSA-N 2 1 289.467 3.469 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC000678591919 543539157 /nfs/dbraw/zinc/53/91/57/543539157.db2.gz TZNPKSVHPLXSPC-GJYPPUQNSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000678766267 543554224 /nfs/dbraw/zinc/55/42/24/543554224.db2.gz NKRSWEAAGGKLRU-ZRGWGRIASA-N 2 1 284.447 3.384 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000678771891 543555593 /nfs/dbraw/zinc/55/55/93/543555593.db2.gz RMPPWQQIVCBMRW-VKJFTORMSA-N 2 1 272.436 3.241 20 0 CGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCOC2)CC1)CC(C)C ZINC000678636140 543548469 /nfs/dbraw/zinc/54/84/69/543548469.db2.gz ZPKRFPRKXNEQGC-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)c1 ZINC000423495906 286355852 /nfs/dbraw/zinc/35/58/52/286355852.db2.gz DDFQTEAMOJTZPS-CXAGYDPISA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000420352377 286372293 /nfs/dbraw/zinc/37/22/93/286372293.db2.gz AIZZUTPZQUNOQY-QGPMSJSTSA-N 2 1 290.451 3.248 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)C12CCC2 ZINC000359987006 286394843 /nfs/dbraw/zinc/39/48/43/286394843.db2.gz MRTKQKQWMSCJBX-YESZJQIVSA-N 2 1 294.483 3.188 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCCC1 ZINC000368617417 292307953 /nfs/dbraw/zinc/30/79/53/292307953.db2.gz HFXOLXAUQGVAFW-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347932298 287021655 /nfs/dbraw/zinc/02/16/55/287021655.db2.gz MAIVDXFOSMZIFX-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358466077 287047298 /nfs/dbraw/zinc/04/72/98/287047298.db2.gz ILSZPVLWCSZLHY-ZMSDIMECSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358468363 287050265 /nfs/dbraw/zinc/05/02/65/287050265.db2.gz NFUMJABGLCCTJY-LTIDMASMSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC000081567848 287074476 /nfs/dbraw/zinc/07/44/76/287074476.db2.gz QGADSMWUPGBTRA-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000081567848 287074477 /nfs/dbraw/zinc/07/44/77/287074477.db2.gz QGADSMWUPGBTRA-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081638227 287075739 /nfs/dbraw/zinc/07/57/39/287075739.db2.gz DPTKHEMANDMTQZ-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP COCc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000088566999 165195955 /nfs/dbraw/zinc/19/59/55/165195955.db2.gz FVUKOYGYOIQEEF-MRXNPFEDSA-N 2 1 290.451 3.187 20 0 CGADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000091335643 287107520 /nfs/dbraw/zinc/10/75/20/287107520.db2.gz KKOTZLRUXFCBKD-QAPCUYQASA-N 2 1 290.451 3.324 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1F ZINC000093496103 165329801 /nfs/dbraw/zinc/32/98/01/165329801.db2.gz OMFVABVGTURHQT-HIFRSBDPSA-N 2 1 264.388 3.226 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000092801818 287113627 /nfs/dbraw/zinc/11/36/27/287113627.db2.gz MSNQLKFUAQWSJW-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000092801818 287113630 /nfs/dbraw/zinc/11/36/30/287113630.db2.gz MSNQLKFUAQWSJW-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000092801818 287113634 /nfs/dbraw/zinc/11/36/34/287113634.db2.gz MSNQLKFUAQWSJW-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(C)c2)C1 ZINC000093742170 287118753 /nfs/dbraw/zinc/11/87/53/287118753.db2.gz BPQOZADKYMWTCC-MRXNPFEDSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(C)c2)C1 ZINC000093742170 287118756 /nfs/dbraw/zinc/11/87/56/287118756.db2.gz BPQOZADKYMWTCC-MRXNPFEDSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000093742170 287118760 /nfs/dbraw/zinc/11/87/60/287118760.db2.gz BPQOZADKYMWTCC-MRXNPFEDSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000093742170 287118762 /nfs/dbraw/zinc/11/87/62/287118762.db2.gz BPQOZADKYMWTCC-MRXNPFEDSA-N 2 1 278.415 3.298 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119675403 287172316 /nfs/dbraw/zinc/17/23/16/287172316.db2.gz KSTCECBSXDKHBC-DLBZAZTESA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119717666 287173145 /nfs/dbraw/zinc/17/31/45/287173145.db2.gz ASSHVALSAHMHEY-AWEZNQCLSA-N 2 1 252.446 3.418 20 0 CGADMP CCC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000122477957 287210164 /nfs/dbraw/zinc/21/01/64/287210164.db2.gz AKIRLIWNCIZDPT-PRLABOORSA-N 2 1 252.446 3.275 20 0 CGADMP CCC1CCC(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000122482542 287210183 /nfs/dbraw/zinc/21/01/83/287210183.db2.gz ZDRRUXASPNLIND-LBDPXKHJSA-N 2 1 252.446 3.133 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000020128844 171016167 /nfs/dbraw/zinc/01/61/67/171016167.db2.gz ABPBLOLQFHETEW-UHFFFAOYSA-N 2 1 298.377 3.254 20 0 CGADMP CC1(C)CC([NH2+]Cc2ccc(F)cc2F)CC(C)(C)[NH2+]1 ZINC000020143076 171028943 /nfs/dbraw/zinc/02/89/43/171028943.db2.gz WDKZKFDJUFMPMW-UHFFFAOYSA-N 2 1 282.378 3.364 20 0 CGADMP C[N@@H+](CCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285427876 196281661 /nfs/dbraw/zinc/28/16/61/196281661.db2.gz HEGHAWCFCYIABK-JWTNVVGKSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285427876 196281663 /nfs/dbraw/zinc/28/16/63/196281663.db2.gz HEGHAWCFCYIABK-JWTNVVGKSA-N 2 1 272.436 3.176 20 0 CGADMP C[NH+](CCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285427876 196281664 /nfs/dbraw/zinc/28/16/64/196281664.db2.gz HEGHAWCFCYIABK-JWTNVVGKSA-N 2 1 272.436 3.176 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)CCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285429897 196282424 /nfs/dbraw/zinc/28/24/24/196282424.db2.gz HJYCVJLQPVPRCB-DFNIBXOVSA-N 2 1 284.447 3.232 20 0 CGADMP C[NH+](Cc1ccc2c(c1)CCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285429897 196282425 /nfs/dbraw/zinc/28/24/25/196282425.db2.gz HJYCVJLQPVPRCB-DFNIBXOVSA-N 2 1 284.447 3.232 20 0 CGADMP C[NH+](Cc1ccc2c(c1)CCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285429897 196282427 /nfs/dbraw/zinc/28/24/27/196282427.db2.gz HJYCVJLQPVPRCB-DFNIBXOVSA-N 2 1 284.447 3.232 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCCO2)C1 ZINC000249263334 287273252 /nfs/dbraw/zinc/27/32/52/287273252.db2.gz IEYNORSTSORSEM-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249263334 287273253 /nfs/dbraw/zinc/27/32/53/287273253.db2.gz IEYNORSTSORSEM-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000249263334 287273257 /nfs/dbraw/zinc/27/32/57/287273257.db2.gz IEYNORSTSORSEM-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@@H+](Cc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC000037538846 173259225 /nfs/dbraw/zinc/25/92/25/173259225.db2.gz WSAREDAKKXSIIT-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP CCc1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000037923911 173862389 /nfs/dbraw/zinc/86/23/89/173862389.db2.gz SRSRWIKRWJCCNT-UHFFFAOYSA-N 2 1 281.469 3.104 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000038098115 174113417 /nfs/dbraw/zinc/11/34/17/174113417.db2.gz IUPBKDHRTQHQFO-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000040591733 174347222 /nfs/dbraw/zinc/34/72/22/174347222.db2.gz QYWGBGZLCSHJRT-HNNXBMFYSA-N 2 1 268.404 3.271 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043533980 175062761 /nfs/dbraw/zinc/06/27/61/175062761.db2.gz ANUWTPZFQAGCAC-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527862 175192957 /nfs/dbraw/zinc/19/29/57/175192957.db2.gz VZLKXZCJQCDMOJ-VXGBXAGGSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527862 175192958 /nfs/dbraw/zinc/19/29/58/175192958.db2.gz VZLKXZCJQCDMOJ-VXGBXAGGSA-N 2 1 252.789 3.072 20 0 CGADMP Cc1cc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1C(C)C ZINC000044531040 175196068 /nfs/dbraw/zinc/19/60/68/175196068.db2.gz WXWDIBBTWATSCH-INIZCTEOSA-N 2 1 290.451 3.168 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cncs1 ZINC000128529999 287313045 /nfs/dbraw/zinc/31/30/45/287313045.db2.gz WGOCXEWJUNDFOZ-SNVBAGLBSA-N 2 1 267.442 3.103 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000050953383 416477585 /nfs/dbraw/zinc/47/75/85/416477585.db2.gz OKCBWEOYDLCONK-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314634713 416537023 /nfs/dbraw/zinc/53/70/23/416537023.db2.gz UERBBYGDKCXGPY-KSSFIOAISA-N 2 1 284.403 3.302 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000314699045 416538132 /nfs/dbraw/zinc/53/81/32/416538132.db2.gz LTRYMQGGRQQTAG-MRXNPFEDSA-N 2 1 275.440 3.445 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000314633199 416538472 /nfs/dbraw/zinc/53/84/72/416538472.db2.gz FKNXERPVVNWYAL-ZFWWWQNUSA-N 2 1 298.352 3.266 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000314633199 416538478 /nfs/dbraw/zinc/53/84/78/416538478.db2.gz FKNXERPVVNWYAL-ZFWWWQNUSA-N 2 1 298.352 3.266 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)[C@H]1CC[NH3+] ZINC000404283305 416553155 /nfs/dbraw/zinc/55/31/55/416553155.db2.gz QVBBOVJWWXKUNR-BBRMVZONSA-N 2 1 272.392 3.382 20 0 CGADMP C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)[C@@H]1CC[NH3+] ZINC000404395413 416555645 /nfs/dbraw/zinc/55/56/45/416555645.db2.gz OFFQBWJDFHFRPD-COXPPRJISA-N 2 1 258.409 3.149 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000122328085 416503664 /nfs/dbraw/zinc/50/36/64/416503664.db2.gz FKYGUGAMZSXCKS-NVXWUHKLSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000680326744 543697447 /nfs/dbraw/zinc/69/74/47/543697447.db2.gz ICYSZGFRPXWXQG-ZACQAIPSSA-N 2 1 264.457 3.373 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000680352966 543702899 /nfs/dbraw/zinc/70/28/99/543702899.db2.gz WJYSBHCOFKTXJH-UHOSZYNNSA-N 2 1 284.447 3.429 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC000682076085 543821598 /nfs/dbraw/zinc/82/15/98/543821598.db2.gz STMIXJPGFLKIRZ-LPHOPBHVSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682076085 543821601 /nfs/dbraw/zinc/82/16/01/543821601.db2.gz STMIXJPGFLKIRZ-LPHOPBHVSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682076085 543821603 /nfs/dbraw/zinc/82/16/03/543821603.db2.gz STMIXJPGFLKIRZ-LPHOPBHVSA-N 2 1 284.447 3.338 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCOCc2ccccc2)CC1 ZINC000682075964 543822350 /nfs/dbraw/zinc/82/23/50/543822350.db2.gz IFKQNRDMQNXOHF-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(O)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000682406578 543842137 /nfs/dbraw/zinc/84/21/37/543842137.db2.gz HMWRAXPSZLQGIR-HOCLYGCPSA-N 2 1 288.435 3.135 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1C ZINC000131410002 287379106 /nfs/dbraw/zinc/37/91/06/287379106.db2.gz DVEGWQUCTCWQNE-MRXNPFEDSA-N 2 1 290.451 3.086 20 0 CGADMP COc1c(C)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000131410002 287379108 /nfs/dbraw/zinc/37/91/08/287379108.db2.gz DVEGWQUCTCWQNE-MRXNPFEDSA-N 2 1 290.451 3.086 20 0 CGADMP COc1c(C)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000131410002 287379111 /nfs/dbraw/zinc/37/91/11/287379111.db2.gz DVEGWQUCTCWQNE-MRXNPFEDSA-N 2 1 290.451 3.086 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H](OC)c2ccccc2)C1 ZINC000683816155 543944517 /nfs/dbraw/zinc/94/45/17/543944517.db2.gz LMNZSMIEDKPYII-NUJGCVRESA-N 2 1 290.451 3.084 20 0 CGADMP c1cc2cnccc2c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000684425633 543998747 /nfs/dbraw/zinc/99/87/47/543998747.db2.gz BAISBMOWNLHRQW-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1nccc2ccccc21 ZINC000685462679 544074333 /nfs/dbraw/zinc/07/43/33/544074333.db2.gz BKYMBTZIRMDBNR-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1nccc2ccccc21 ZINC000685462679 544074334 /nfs/dbraw/zinc/07/43/34/544074334.db2.gz BKYMBTZIRMDBNR-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000685462151 544074956 /nfs/dbraw/zinc/07/49/56/544074956.db2.gz JJDMRQXOFKPEQX-ZDUSSCGKSA-N 2 1 251.418 3.196 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)C(C)(C)C ZINC000685462151 544074957 /nfs/dbraw/zinc/07/49/57/544074957.db2.gz JJDMRQXOFKPEQX-ZDUSSCGKSA-N 2 1 251.418 3.196 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000685462827 544075825 /nfs/dbraw/zinc/07/58/25/544075825.db2.gz NWCUSFDJZZBNCH-ZBFHGGJFSA-N 2 1 266.473 3.332 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000685476443 544079846 /nfs/dbraw/zinc/07/98/46/544079846.db2.gz QOPNOFXYZVPYGH-MRXNPFEDSA-N 2 1 296.418 3.198 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000355091770 227389531 /nfs/dbraw/zinc/38/95/31/227389531.db2.gz XDVLYYMKYDEHEF-IIAWOOMASA-N 2 1 298.434 3.442 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000136048410 287478206 /nfs/dbraw/zinc/47/82/06/287478206.db2.gz ITIBONYGMQTYOB-ZFWWWQNUSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCc2ccc(F)cc21 ZINC000652364503 418957913 /nfs/dbraw/zinc/95/79/13/418957913.db2.gz UNWCCNKCQKSWIN-CQSZACIVSA-N 2 1 290.426 3.177 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)C2CC2)C1 ZINC000653564142 419050583 /nfs/dbraw/zinc/05/05/83/419050583.db2.gz RGFBFNCQEQVRPY-HNNXBMFYSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653564142 419050584 /nfs/dbraw/zinc/05/05/84/419050584.db2.gz RGFBFNCQEQVRPY-HNNXBMFYSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653564142 419050587 /nfs/dbraw/zinc/05/05/87/419050587.db2.gz RGFBFNCQEQVRPY-HNNXBMFYSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659956680 419045464 /nfs/dbraw/zinc/04/54/64/419045464.db2.gz LPFGIWPLXBFXHK-LSDHHAIUSA-N 2 1 288.426 3.476 20 0 CGADMP CC1(C)CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655736324 419081401 /nfs/dbraw/zinc/08/14/01/419081401.db2.gz FUKJAAURODXLJJ-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655734639 419082132 /nfs/dbraw/zinc/08/21/32/419082132.db2.gz LHKSAEYIDKWWJF-XHSDSOJGSA-N 2 1 284.513 3.228 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237591 419088357 /nfs/dbraw/zinc/08/83/57/419088357.db2.gz FGDUAZMTIUQHFA-CABCVRRESA-N 2 1 258.365 3.182 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655757534 419088978 /nfs/dbraw/zinc/08/89/78/419088978.db2.gz IAHDTKVEQPEFHP-JFIYKMOQSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256638 419094970 /nfs/dbraw/zinc/09/49/70/419094970.db2.gz HXVONQGMDSJLNB-DTTOXWODSA-N 2 1 290.451 3.165 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000660178657 419095070 /nfs/dbraw/zinc/09/50/70/419095070.db2.gz KPEAULPPEJEMQA-JKSUJKDBSA-N 2 1 298.858 3.082 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000660178657 419095072 /nfs/dbraw/zinc/09/50/72/419095072.db2.gz KPEAULPPEJEMQA-JKSUJKDBSA-N 2 1 298.858 3.082 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccccc1Br ZINC000665280217 419101000 /nfs/dbraw/zinc/10/10/00/419101000.db2.gz WDBKWKVRBKRFQH-BXUZGUMPSA-N 2 1 299.256 3.473 20 0 CGADMP Cc1cccc2c1CCC[C@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665283737 419105192 /nfs/dbraw/zinc/10/51/92/419105192.db2.gz UBGIPOQRSIYYNS-RRQGHBQHSA-N 2 1 258.409 3.103 20 0 CGADMP Cc1cccc2c1CCC[C@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665283739 419105495 /nfs/dbraw/zinc/10/54/95/419105495.db2.gz UBGIPOQRSIYYNS-XOKHGSTOSA-N 2 1 258.409 3.103 20 0 CGADMP C[C@H]([NH2+]CC1CC=CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255414 419115076 /nfs/dbraw/zinc/11/50/76/419115076.db2.gz BUBLOYUXUYLGGN-GOEBONIOSA-N 2 1 262.441 3.195 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257990 419115172 /nfs/dbraw/zinc/11/51/72/419115172.db2.gz YKODKROVENADNQ-SIRPWMCASA-N 2 1 276.468 3.275 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000660010726 419062320 /nfs/dbraw/zinc/06/23/20/419062320.db2.gz LKGIPBLQKVBEOR-MGPQQGTHSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000660010726 419062323 /nfs/dbraw/zinc/06/23/23/419062323.db2.gz LKGIPBLQKVBEOR-MGPQQGTHSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000660010726 419062326 /nfs/dbraw/zinc/06/23/26/419062326.db2.gz LKGIPBLQKVBEOR-MGPQQGTHSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655682407 419063700 /nfs/dbraw/zinc/06/37/00/419063700.db2.gz DVCBKBFMURWTSD-QGZVFWFLSA-N 2 1 272.436 3.365 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694245 419067274 /nfs/dbraw/zinc/06/72/74/419067274.db2.gz FCZPFBFYLHIKEX-DOTOQJQBSA-N 2 1 272.436 3.222 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000660082972 419072267 /nfs/dbraw/zinc/07/22/67/419072267.db2.gz PLIHCTSPTIQOCF-MGPQQGTHSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000660082972 419072270 /nfs/dbraw/zinc/07/22/70/419072270.db2.gz PLIHCTSPTIQOCF-MGPQQGTHSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000660082972 419072273 /nfs/dbraw/zinc/07/22/73/419072273.db2.gz PLIHCTSPTIQOCF-MGPQQGTHSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000660082970 419072940 /nfs/dbraw/zinc/07/29/40/419072940.db2.gz PLIHCTSPTIQOCF-BFHYXJOUSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000660082970 419072945 /nfs/dbraw/zinc/07/29/45/419072945.db2.gz PLIHCTSPTIQOCF-BFHYXJOUSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000660082970 419072950 /nfs/dbraw/zinc/07/29/50/419072950.db2.gz PLIHCTSPTIQOCF-BFHYXJOUSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000660078282 419073536 /nfs/dbraw/zinc/07/35/36/419073536.db2.gz TYHJKCMUWRCBNI-VXGBXAGGSA-N 2 1 271.355 3.271 20 0 CGADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655714867 419074002 /nfs/dbraw/zinc/07/40/02/419074002.db2.gz FSMPRBQNZZFGRN-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000655940157 419129560 /nfs/dbraw/zinc/12/95/60/419129560.db2.gz XBPQDXODCTVWKU-OAHLLOKOSA-N 2 1 290.451 3.379 20 0 CGADMP CO[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000660542540 419158991 /nfs/dbraw/zinc/15/89/91/419158991.db2.gz SZGRNTOFKAPXJT-WFFDWFOESA-N 2 1 294.483 3.139 20 0 CGADMP CO[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000660542540 419158994 /nfs/dbraw/zinc/15/89/94/419158994.db2.gz SZGRNTOFKAPXJT-WFFDWFOESA-N 2 1 294.483 3.139 20 0 CGADMP CO[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000660542540 419158997 /nfs/dbraw/zinc/15/89/97/419158997.db2.gz SZGRNTOFKAPXJT-WFFDWFOESA-N 2 1 294.483 3.139 20 0 CGADMP c1ccc(CCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000656471437 419175532 /nfs/dbraw/zinc/17/55/32/419175532.db2.gz BFHBKOPTJYVBOM-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCC1CCCC1)C2 ZINC000660657517 419177150 /nfs/dbraw/zinc/17/71/50/419177150.db2.gz QSZKBHQYHTZMFY-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCC1CCCC1)C2 ZINC000660657517 419177152 /nfs/dbraw/zinc/17/71/52/419177152.db2.gz QSZKBHQYHTZMFY-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCC1CCCC1)C2 ZINC000660657517 419177154 /nfs/dbraw/zinc/17/71/54/419177154.db2.gz QSZKBHQYHTZMFY-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC000660662378 419178598 /nfs/dbraw/zinc/17/85/98/419178598.db2.gz JKEFJPVZYAEYAP-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC000660662378 419178599 /nfs/dbraw/zinc/17/85/99/419178599.db2.gz JKEFJPVZYAEYAP-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC000660662378 419178601 /nfs/dbraw/zinc/17/86/01/419178601.db2.gz JKEFJPVZYAEYAP-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662430 419179936 /nfs/dbraw/zinc/17/99/36/419179936.db2.gz KDKMVVDCDSZGLG-UKRRQHHQSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662430 419179938 /nfs/dbraw/zinc/17/99/38/419179938.db2.gz KDKMVVDCDSZGLG-UKRRQHHQSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662430 419179941 /nfs/dbraw/zinc/17/99/41/419179941.db2.gz KDKMVVDCDSZGLG-UKRRQHHQSA-N 2 1 274.399 3.086 20 0 CGADMP CSc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660661693 419180277 /nfs/dbraw/zinc/18/02/77/419180277.db2.gz FKABBINJIXRFTH-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660661693 419180278 /nfs/dbraw/zinc/18/02/78/419180278.db2.gz FKABBINJIXRFTH-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660661693 419180279 /nfs/dbraw/zinc/18/02/79/419180279.db2.gz FKABBINJIXRFTH-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660661693 419180281 /nfs/dbraw/zinc/18/02/81/419180281.db2.gz FKABBINJIXRFTH-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000666172117 419194487 /nfs/dbraw/zinc/19/44/87/419194487.db2.gz CLUIRPDDBKVXEU-HOCLYGCPSA-N 2 1 275.440 3.081 20 0 CGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCN1C[C@H](C)C[C@@H](C)C1 ZINC000660318022 419127065 /nfs/dbraw/zinc/12/70/65/419127065.db2.gz UTCJYXGXWHPWAZ-KLHDSHLOSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H]1[C@H](C)CCN1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660318022 419127069 /nfs/dbraw/zinc/12/70/69/419127069.db2.gz UTCJYXGXWHPWAZ-KLHDSHLOSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[N@@H+](CCCc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC000655938096 419127336 /nfs/dbraw/zinc/12/73/36/419127336.db2.gz LYHWEQGOCCNKPW-UHFFFAOYSA-N 2 1 296.405 3.361 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000657335458 419253692 /nfs/dbraw/zinc/25/36/92/419253692.db2.gz QQMBZFVGSZIQGY-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP COCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000657348356 419256763 /nfs/dbraw/zinc/25/67/63/419256763.db2.gz SSHIKWHBYRGYSO-AWEZNQCLSA-N 2 1 296.480 3.105 20 0 CGADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1F ZINC000661483153 419264145 /nfs/dbraw/zinc/26/41/45/419264145.db2.gz GBESZFXXKDOZFV-INIZCTEOSA-N 2 1 275.371 3.089 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661507740 419267937 /nfs/dbraw/zinc/26/79/37/419267937.db2.gz BJFCJHWDPAWWRW-MRXNPFEDSA-N 2 1 273.355 3.168 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661507740 419267939 /nfs/dbraw/zinc/26/79/39/419267939.db2.gz BJFCJHWDPAWWRW-MRXNPFEDSA-N 2 1 273.355 3.168 20 0 CGADMP CC(C[NH+]1C[C@@H]2CCCC[C@@H]21)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932871 419216572 /nfs/dbraw/zinc/21/65/72/419216572.db2.gz FMVXDVCADXZUQK-XSLAGTTESA-N 2 1 276.468 3.371 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CCCC1 ZINC000656788436 419219034 /nfs/dbraw/zinc/21/90/34/419219034.db2.gz PFNYRAKNEJZTQP-UHFFFAOYSA-N 2 1 289.810 3.249 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788363 419219447 /nfs/dbraw/zinc/21/94/47/419219447.db2.gz LDYXOQGHSSINQO-UHFFFAOYSA-N 2 1 272.392 3.356 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656785576 419219487 /nfs/dbraw/zinc/21/94/87/419219487.db2.gz MHKLHDFUPLQSPQ-HNNXBMFYSA-N 2 1 294.389 3.176 20 0 CGADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000657590234 419311402 /nfs/dbraw/zinc/31/14/02/419311402.db2.gz YHGDYALTTMLQLS-HMDCTGQHSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661880540 419312044 /nfs/dbraw/zinc/31/20/44/419312044.db2.gz PGWPCTDXGXTNBU-KSZLIROESA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661880540 419312045 /nfs/dbraw/zinc/31/20/45/419312045.db2.gz PGWPCTDXGXTNBU-KSZLIROESA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661880540 419312048 /nfs/dbraw/zinc/31/20/48/419312048.db2.gz PGWPCTDXGXTNBU-KSZLIROESA-N 2 1 294.483 3.142 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662044688 419327884 /nfs/dbraw/zinc/32/78/84/419327884.db2.gz SPTOSSOCBAUDOS-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000193138218 228123459 /nfs/dbraw/zinc/12/34/59/228123459.db2.gz FZJVCXFFMCSMTO-UKRRQHHQSA-N 2 1 263.429 3.386 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662316179 419389055 /nfs/dbraw/zinc/38/90/55/419389055.db2.gz JDCRVHHEHBHVKE-KRWDZBQOSA-N 2 1 264.457 3.278 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662316525 419389416 /nfs/dbraw/zinc/38/94/16/419389416.db2.gz VHDWUJSFOGUJAU-NVXWUHKLSA-N 2 1 260.425 3.069 20 0 CGADMP CC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318635 419389968 /nfs/dbraw/zinc/38/99/68/419389968.db2.gz CWKKJNJMUPTNCZ-LBPRGKRZSA-N 2 1 288.357 3.307 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1CC1CCC1)[C@H]1CC[NH2+]C1 ZINC000662320635 419390825 /nfs/dbraw/zinc/39/08/25/419390825.db2.gz VQCVDKYBUBRXCT-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2(OC)CCC2)c1 ZINC000657872149 419396507 /nfs/dbraw/zinc/39/65/07/419396507.db2.gz OFSHCFYYJLLZDY-HNNXBMFYSA-N 2 1 290.451 3.186 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(CF)(CF)C2)c1 ZINC000657872500 419398417 /nfs/dbraw/zinc/39/84/17/419398417.db2.gz PYILAQDWKSIMSA-UHFFFAOYSA-N 2 1 296.405 3.316 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cc2cnccc2o1 ZINC000657894079 419418066 /nfs/dbraw/zinc/41/80/66/419418066.db2.gz VJDLWASJUKIGSE-OHRKKDJYSA-N 2 1 299.418 3.494 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000662266912 419375367 /nfs/dbraw/zinc/37/53/67/419375367.db2.gz QPUDZFBMQDIUNV-UAGQMJEPSA-N 2 1 272.436 3.153 20 0 CGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000657829753 419377546 /nfs/dbraw/zinc/37/75/46/419377546.db2.gz HNCFBXFXTOQTRB-OWCLPIDISA-N 2 1 262.441 3.028 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCSCC1)C1CCCCC1 ZINC000657839550 419380680 /nfs/dbraw/zinc/38/06/80/419380680.db2.gz BSEFWNLDBLYMCA-HOTGVXAUSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000657836769 419381319 /nfs/dbraw/zinc/38/13/19/419381319.db2.gz BBTUFGMTHAEFMU-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCSCC2)C1 ZINC000657837956 419381379 /nfs/dbraw/zinc/38/13/79/419381379.db2.gz KXAUGCFPXCWKTR-HOTGVXAUSA-N 2 1 284.513 3.374 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662273443 419383178 /nfs/dbraw/zinc/38/31/78/419383178.db2.gz XFWVUMYVTKLHDN-DOTOQJQBSA-N 2 1 272.436 3.167 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000657842371 419383851 /nfs/dbraw/zinc/38/38/51/419383851.db2.gz BAFOEVYKDQSAJU-UONOGXRCSA-N 2 1 287.407 3.210 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000657842371 419383855 /nfs/dbraw/zinc/38/38/55/419383855.db2.gz BAFOEVYKDQSAJU-UONOGXRCSA-N 2 1 287.407 3.210 20 0 CGADMP c1c2cccnc2oc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344953 419567989 /nfs/dbraw/zinc/56/79/89/419567989.db2.gz ZUTSWGZYUGHYON-HNNXBMFYSA-N 2 1 299.418 3.039 20 0 CGADMP c1c2cccnc2oc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344953 419567997 /nfs/dbraw/zinc/56/79/97/419567997.db2.gz ZUTSWGZYUGHYON-HNNXBMFYSA-N 2 1 299.418 3.039 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658075923 419547136 /nfs/dbraw/zinc/54/71/36/419547136.db2.gz BWAVHQLZGPVYAR-XKQJLSEDSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658075923 419547143 /nfs/dbraw/zinc/54/71/43/419547143.db2.gz BWAVHQLZGPVYAR-XKQJLSEDSA-N 2 1 278.415 3.219 20 0 CGADMP CC(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345244 419568500 /nfs/dbraw/zinc/56/85/00/419568500.db2.gz HGNLBWZTNIOKQI-GOEBONIOSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000663346626 419566189 /nfs/dbraw/zinc/56/61/89/419566189.db2.gz BHHZXVCNXQZKDO-XLIONFOSSA-N 2 1 298.474 3.256 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663347884 419566942 /nfs/dbraw/zinc/56/69/42/419566942.db2.gz ZECBHVLKFSQIHO-PVAVHDDUSA-N 2 1 264.457 3.277 20 0 CGADMP CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663347849 419569747 /nfs/dbraw/zinc/56/97/47/419569747.db2.gz XTRGRIDHFRVADC-WIHSUSGWSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000663356271 419577474 /nfs/dbraw/zinc/57/74/74/419577474.db2.gz HSLDEMONDOHYFQ-RYUDHWBXSA-N 2 1 278.362 3.181 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)[C@@H]2CCC[C@H]21 ZINC000658116244 419591112 /nfs/dbraw/zinc/59/11/12/419591112.db2.gz HVLITBWNXMLQNI-YESZJQIVSA-N 2 1 284.403 3.395 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)CC)[C@@H](C)C1 ZINC000658120879 419598125 /nfs/dbraw/zinc/59/81/25/419598125.db2.gz MKBXVCVAHJRLCP-IKGGRYGDSA-N 2 1 284.488 3.149 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468213 419619962 /nfs/dbraw/zinc/61/99/62/419619962.db2.gz KJRCGFOUNOLVME-BRWVUGGUSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1C[C@@H]1C ZINC000663466379 419621362 /nfs/dbraw/zinc/62/13/62/419621362.db2.gz RYKKIRQBCYCZCE-LLLHUVSDSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC000658229356 419691139 /nfs/dbraw/zinc/69/11/39/419691139.db2.gz QVLIEKOXSRRXHS-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC000658229356 419691145 /nfs/dbraw/zinc/69/11/45/419691145.db2.gz QVLIEKOXSRRXHS-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC[N@@H+]1C ZINC000658252251 419706720 /nfs/dbraw/zinc/70/67/20/419706720.db2.gz IIOLKDSKMOJYIH-KLHDSHLOSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC[N@H+]1C ZINC000658252251 419706724 /nfs/dbraw/zinc/70/67/24/419706724.db2.gz IIOLKDSKMOJYIH-KLHDSHLOSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]([NH2+]CCc1ccoc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658202413 419656283 /nfs/dbraw/zinc/65/62/83/419656283.db2.gz TYYJPEHZOZYYLE-APWZRJJASA-N 2 1 298.430 3.322 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000658263483 419718282 /nfs/dbraw/zinc/71/82/82/419718282.db2.gz KGHFZOFPJPIVQV-QMCVQRASSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000658263483 419718291 /nfs/dbraw/zinc/71/82/91/419718291.db2.gz KGHFZOFPJPIVQV-QMCVQRASSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322950276 260030956 /nfs/dbraw/zinc/03/09/56/260030956.db2.gz SMWXGYQRHOXDQF-KNABHZPTSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000222074395 262331139 /nfs/dbraw/zinc/33/11/39/262331139.db2.gz PAIOEXPHFZXEFU-WMLDXEAASA-N 2 1 260.425 3.240 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+]C[C@H]2CC=CCC2)([NH+](C)C)C1 ZINC000040668541 270029639 /nfs/dbraw/zinc/02/96/39/270029639.db2.gz UJOMYBABDOVECH-IKGGRYGDSA-N 2 1 264.457 3.443 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2cc(C)ccc2C)C1 ZINC000040599013 270029675 /nfs/dbraw/zinc/02/96/75/270029675.db2.gz GKQMCNWCIKJSHZ-KRWDZBQOSA-N 2 1 290.451 3.004 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000044535727 270036361 /nfs/dbraw/zinc/03/63/61/270036361.db2.gz WSRBGIFETBENFK-INIZCTEOSA-N 2 1 274.452 3.416 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534788 270036380 /nfs/dbraw/zinc/03/63/80/270036380.db2.gz JCJGFEBQUXROGV-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@H](C[NH2+]CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000105838414 270048123 /nfs/dbraw/zinc/04/81/23/270048123.db2.gz YUJPUOSRMOCKER-OAHLLOKOSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1ccc(F)c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000227284316 270087094 /nfs/dbraw/zinc/08/70/94/270087094.db2.gz HSLDUKKXSUZIIR-OAHLLOKOSA-N 2 1 278.415 3.346 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227913521 270087533 /nfs/dbraw/zinc/08/75/33/270087533.db2.gz FDODKACUSRZPGF-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227913521 270087534 /nfs/dbraw/zinc/08/75/34/270087534.db2.gz FDODKACUSRZPGF-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000236872855 270089564 /nfs/dbraw/zinc/08/95/64/270089564.db2.gz PJWJROZWDUTUNS-JKSUJKDBSA-N 2 1 262.441 3.328 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000321881117 270093279 /nfs/dbraw/zinc/09/32/79/270093279.db2.gz JIBYFXIPXYYSOM-RKVPGOIHSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000237548023 270090608 /nfs/dbraw/zinc/09/06/08/270090608.db2.gz CPGQEMIVTXQYCV-MGPQQGTHSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322395456 270093668 /nfs/dbraw/zinc/09/36/68/270093668.db2.gz RXTGZWGPJFTTCC-WODVXLOZSA-N 2 1 278.362 3.322 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000519797097 270098049 /nfs/dbraw/zinc/09/80/49/270098049.db2.gz ZXRVOXCBVUMUSU-WNRNVDISSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000519797097 270098050 /nfs/dbraw/zinc/09/80/50/270098050.db2.gz ZXRVOXCBVUMUSU-WNRNVDISSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000527115722 270125764 /nfs/dbraw/zinc/12/57/64/270125764.db2.gz KYDFQNOSMXYETA-VQHPVUNQSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000527115722 270125765 /nfs/dbraw/zinc/12/57/65/270125765.db2.gz KYDFQNOSMXYETA-VQHPVUNQSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000527115722 270125766 /nfs/dbraw/zinc/12/57/66/270125766.db2.gz KYDFQNOSMXYETA-VQHPVUNQSA-N 2 1 266.473 3.475 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527637694 270130190 /nfs/dbraw/zinc/13/01/90/270130190.db2.gz KXAQZZFPYZAKOL-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP CC1(C)CCC[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527730163 270132968 /nfs/dbraw/zinc/13/29/68/270132968.db2.gz RFKDTRDNLHDFHZ-PMPSAXMXSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527861557 270140157 /nfs/dbraw/zinc/14/01/57/270140157.db2.gz LWOZIPVJSSSWAW-BDJLRTHQSA-N 2 1 296.817 3.398 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527933935 270145433 /nfs/dbraw/zinc/14/54/33/270145433.db2.gz UPUBIVLEUBGXFD-HNAYVOBHSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CC(F)(F)C1 ZINC000529534994 270183162 /nfs/dbraw/zinc/18/31/62/270183162.db2.gz GOKMXJSQYBAKMZ-LBPRGKRZSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)[C@@H]1CCCC[NH2+]1 ZINC000530215251 270195673 /nfs/dbraw/zinc/19/56/73/270195673.db2.gz FZEOIEPAZIJINK-DHIJGFHKSA-N 2 1 290.838 3.098 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1c[nH+]ccc1N ZINC000530214253 270195738 /nfs/dbraw/zinc/19/57/38/270195738.db2.gz WGNXCIOBNSVKMY-QALRRDDNSA-N 2 1 299.805 3.136 20 0 CGADMP c1ccc([C@@H](CC2CC2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217234 270195998 /nfs/dbraw/zinc/19/59/98/270195998.db2.gz FRPNZJAPFRJWNZ-SJORKVTESA-N 2 1 270.420 3.402 20 0 CGADMP c1ccc([C@H](CC2CC2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217231 270196173 /nfs/dbraw/zinc/19/61/73/270196173.db2.gz FRPNZJAPFRJWNZ-IRXDYDNUSA-N 2 1 270.420 3.402 20 0 CGADMP CC(C)C[N@H+](CCc1ccc(F)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000530238350 270197025 /nfs/dbraw/zinc/19/70/25/270197025.db2.gz PXTVFOUTGJINFJ-KRWDZBQOSA-N 2 1 292.442 3.326 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1 ZINC000530244513 270197390 /nfs/dbraw/zinc/19/73/90/270197390.db2.gz MARZHHCSYPCOMF-SWLSCSKDSA-N 2 1 278.827 3.318 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000530901629 270203431 /nfs/dbraw/zinc/20/34/31/270203431.db2.gz NNJIBWWQDSRTJC-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(C)c2)C[C@H]1C ZINC000530902544 270203462 /nfs/dbraw/zinc/20/34/62/270203462.db2.gz LENZSJJIQDMJSD-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(C)c2)C[C@H]1C ZINC000530902544 270203463 /nfs/dbraw/zinc/20/34/63/270203463.db2.gz LENZSJJIQDMJSD-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(C)c2)C[C@H]1C ZINC000530902544 270203464 /nfs/dbraw/zinc/20/34/64/270203464.db2.gz LENZSJJIQDMJSD-SJORKVTESA-N 2 1 290.451 3.178 20 0 CGADMP CC(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000532380380 270215890 /nfs/dbraw/zinc/21/58/90/270215890.db2.gz YGJJLEFHHDKCMF-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000532380380 270215891 /nfs/dbraw/zinc/21/58/91/270215891.db2.gz YGJJLEFHHDKCMF-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000532380380 270215892 /nfs/dbraw/zinc/21/58/92/270215892.db2.gz YGJJLEFHHDKCMF-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP COC[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353631292 274042028 /nfs/dbraw/zinc/04/20/28/274042028.db2.gz KZSKFELUPQJIAT-FAEJEUNOSA-N 2 1 290.451 3.054 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000137611752 276106355 /nfs/dbraw/zinc/10/63/55/276106355.db2.gz MNVQORMXUILFKE-HNNXBMFYSA-N 2 1 278.415 3.032 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000137611752 276106356 /nfs/dbraw/zinc/10/63/56/276106356.db2.gz MNVQORMXUILFKE-HNNXBMFYSA-N 2 1 278.415 3.032 20 0 CGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000173593758 276198701 /nfs/dbraw/zinc/19/87/01/276198701.db2.gz AHDTYIFLQXKDEW-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000514094952 276224860 /nfs/dbraw/zinc/22/48/60/276224860.db2.gz NFDQANKKZPNKAC-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000514094952 276224861 /nfs/dbraw/zinc/22/48/61/276224861.db2.gz NFDQANKKZPNKAC-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000514094952 276224862 /nfs/dbraw/zinc/22/48/62/276224862.db2.gz NFDQANKKZPNKAC-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)C1CCCCC1)[NH+]1CCCC1 ZINC000474471409 276526004 /nfs/dbraw/zinc/52/60/04/276526004.db2.gz BJHDDOGYSBTTPT-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180901 277072266 /nfs/dbraw/zinc/07/22/66/277072266.db2.gz FLUIOYKCXSFDGV-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180901 277072267 /nfs/dbraw/zinc/07/22/67/277072267.db2.gz FLUIOYKCXSFDGV-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180901 277072268 /nfs/dbraw/zinc/07/22/68/277072268.db2.gz FLUIOYKCXSFDGV-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCC(C)(C)C)CC[C@@H]21 ZINC000410415839 277083460 /nfs/dbraw/zinc/08/34/60/277083460.db2.gz XLMABJGVXOEWSN-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCC(C)(C)C)CC[C@@H]21 ZINC000410415839 277083461 /nfs/dbraw/zinc/08/34/61/277083461.db2.gz XLMABJGVXOEWSN-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCC(C)(C)C)CC[C@@H]21 ZINC000410415839 277083462 /nfs/dbraw/zinc/08/34/62/277083462.db2.gz XLMABJGVXOEWSN-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP COC(C)(C)[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340473704 277178263 /nfs/dbraw/zinc/17/82/63/277178263.db2.gz KWOGBEXMZRRGGV-XHSDSOJGSA-N 2 1 284.488 3.148 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@@H](C)[C@H]3C)CCCC2)CC1 ZINC000495090309 277194344 /nfs/dbraw/zinc/19/43/44/277194344.db2.gz HVTRCMJHCUNWKE-BFYDXBDKSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC(C(C)C)C2)C1 ZINC000488447358 277396764 /nfs/dbraw/zinc/39/67/64/277396764.db2.gz IWBOXEYOXJHFLC-KLAILNCOSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000475736113 278007969 /nfs/dbraw/zinc/00/79/69/278007969.db2.gz GMINMDRFOBLULZ-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000340445242 278027251 /nfs/dbraw/zinc/02/72/51/278027251.db2.gz QFQPSCXFCFNDOS-DDBAPUKQSA-N 2 1 272.436 3.253 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccncn1 ZINC000395885202 288011501 /nfs/dbraw/zinc/01/15/01/288011501.db2.gz JYUKHSAPNSUPHB-HNNXBMFYSA-N 2 1 298.434 3.169 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414835130 278224774 /nfs/dbraw/zinc/22/47/74/278224774.db2.gz HCOQHGOOIZVOFK-BBRMVZONSA-N 2 1 252.446 3.452 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c2ccccc2n1 ZINC000397432807 288023735 /nfs/dbraw/zinc/02/37/35/288023735.db2.gz FOQGWAKFFUDORN-KMFMINBZSA-N 2 1 297.446 3.348 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000397433570 288023834 /nfs/dbraw/zinc/02/38/34/288023834.db2.gz FYWDNIYKKNJJMZ-YCPHGPKFSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000397433570 288023837 /nfs/dbraw/zinc/02/38/37/288023837.db2.gz FYWDNIYKKNJJMZ-YCPHGPKFSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000397427470 288023921 /nfs/dbraw/zinc/02/39/21/288023921.db2.gz YGSNDVLQIDDYQW-ZOBORPQBSA-N 2 1 274.399 3.117 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@@H]1COc2ccccc21 ZINC000348776351 278259739 /nfs/dbraw/zinc/25/97/39/278259739.db2.gz PXYLSNBUASKQIP-ZOBUZTSGSA-N 2 1 288.435 3.015 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397776976 288030114 /nfs/dbraw/zinc/03/01/14/288030114.db2.gz NZJFMJCTKQOGNT-BPUTZDHNSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449078860 278351402 /nfs/dbraw/zinc/35/14/02/278351402.db2.gz WHRIZKCDQAEIGT-AIANPOQGSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353294411 278354694 /nfs/dbraw/zinc/35/46/94/278354694.db2.gz VHEHISBJQDUDGF-CHWSQXEVSA-N 2 1 286.410 3.274 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000432430020 288040294 /nfs/dbraw/zinc/04/02/94/288040294.db2.gz RLYAXEZELDQAJD-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000432430020 288040295 /nfs/dbraw/zinc/04/02/95/288040295.db2.gz RLYAXEZELDQAJD-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](C4CC4)CC3)c21 ZINC000459394931 288087906 /nfs/dbraw/zinc/08/79/06/288087906.db2.gz AEKPEIAUGYUUIH-UHFFFAOYSA-N 2 1 297.446 3.235 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262080978 279002775 /nfs/dbraw/zinc/00/27/75/279002775.db2.gz TWALGEPEBHYBQA-UKPHBRMFSA-N 2 1 276.399 3.003 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000410391866 279095733 /nfs/dbraw/zinc/09/57/33/279095733.db2.gz NFIGOXWHLBHOQF-RDJZCZTQSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410391866 279095735 /nfs/dbraw/zinc/09/57/35/279095735.db2.gz NFIGOXWHLBHOQF-RDJZCZTQSA-N 2 1 266.473 3.332 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410391866 279095736 /nfs/dbraw/zinc/09/57/36/279095736.db2.gz NFIGOXWHLBHOQF-RDJZCZTQSA-N 2 1 266.473 3.332 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000410390384 279124714 /nfs/dbraw/zinc/12/47/14/279124714.db2.gz PHYZEMLFQZBPMH-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CC[NH+](CCC(C)CC[N@H+](CC)C1CC1)C1CC1 ZINC000411171827 279176440 /nfs/dbraw/zinc/17/64/40/279176440.db2.gz YCHXLFMARDKVSX-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000269008383 279258475 /nfs/dbraw/zinc/25/84/75/279258475.db2.gz MXVKRYOIXUYQEZ-ZBFHGGJFSA-N 2 1 288.435 3.363 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000341702809 279262673 /nfs/dbraw/zinc/26/26/73/279262673.db2.gz LFJBQKIMDIPORW-PMUMKWKESA-N 2 1 288.435 3.014 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423315670 279297951 /nfs/dbraw/zinc/29/79/51/279297951.db2.gz AHOABZZWEPAFIT-DGCLKSJQSA-N 2 1 287.432 3.124 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414874114 279349227 /nfs/dbraw/zinc/34/92/27/279349227.db2.gz YMJRKSXAECQCBH-BXUZGUMPSA-N 2 1 286.341 3.151 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000174315925 288161493 /nfs/dbraw/zinc/16/14/93/288161493.db2.gz GUBFQSNTIZARNP-NXOAAHMSSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[N@@H+]1C ZINC000179965311 280012839 /nfs/dbraw/zinc/01/28/39/280012839.db2.gz RRCUDTPIVJYCFQ-JGGQBBKZSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC[N@H+]1C ZINC000179965311 280012842 /nfs/dbraw/zinc/01/28/42/280012842.db2.gz RRCUDTPIVJYCFQ-JGGQBBKZSA-N 2 1 292.398 3.112 20 0 CGADMP CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346825176 280103317 /nfs/dbraw/zinc/10/33/17/280103317.db2.gz AURMRIDESFZOTM-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000414777736 280174006 /nfs/dbraw/zinc/17/40/06/280174006.db2.gz YHUORCRRSNYSHL-KANFNMMFSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000414777739 280174072 /nfs/dbraw/zinc/17/40/72/280174072.db2.gz YHUORCRRSNYSHL-LULLPPNCSA-N 2 1 284.447 3.181 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000157852954 280186583 /nfs/dbraw/zinc/18/65/83/280186583.db2.gz MGNKKCIKHZXIHO-DOTOQJQBSA-N 2 1 292.471 3.115 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000339407581 280239136 /nfs/dbraw/zinc/23/91/36/280239136.db2.gz PRFMRLUOYQDQEE-XLAORIBOSA-N 2 1 272.436 3.095 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000453295634 280296100 /nfs/dbraw/zinc/29/61/00/280296100.db2.gz XPJQZNSNHWGBJC-OXGONZEZSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CCCO2 ZINC000423433461 280629977 /nfs/dbraw/zinc/62/99/77/280629977.db2.gz CJZOHVSQFGYVEF-WOSRLPQWSA-N 2 1 276.424 3.349 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CCCC2)o1 ZINC000423264157 280992150 /nfs/dbraw/zinc/99/21/50/280992150.db2.gz BPCOJSIYXIXOHD-GDBMZVCRSA-N 2 1 264.413 3.392 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337282614 281379336 /nfs/dbraw/zinc/37/93/36/281379336.db2.gz XMJDAUDLSLLRJV-INIZCTEOSA-N 2 1 260.425 3.474 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000531340048 288334541 /nfs/dbraw/zinc/33/45/41/288334541.db2.gz YUOXDTMTGMBXSD-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000531340048 288334543 /nfs/dbraw/zinc/33/45/43/288334543.db2.gz YUOXDTMTGMBXSD-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697854 282035133 /nfs/dbraw/zinc/03/51/33/282035133.db2.gz CKTJLVNWMGCXAF-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@H+](C)CC[C@H]1CCC[NH+]1C)CCC2 ZINC000245618200 282038311 /nfs/dbraw/zinc/03/83/11/282038311.db2.gz NCZGVIJKZWRXSQ-UKRRQHHQSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CC[C@H]1CCC[NH+]1C)CCC2 ZINC000245618200 282038316 /nfs/dbraw/zinc/03/83/16/282038316.db2.gz NCZGVIJKZWRXSQ-UKRRQHHQSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH+](C)CC[C@H]1CCC[N@@H+]1C)CCC2 ZINC000245618200 282038318 /nfs/dbraw/zinc/03/83/18/282038318.db2.gz NCZGVIJKZWRXSQ-UKRRQHHQSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH+](C)CC[C@H]1CCC[N@H+]1C)CCC2 ZINC000245618200 282038321 /nfs/dbraw/zinc/03/83/21/282038321.db2.gz NCZGVIJKZWRXSQ-UKRRQHHQSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000420309725 282038469 /nfs/dbraw/zinc/03/84/69/282038469.db2.gz FERSJYNQCVTARM-DZGCQCFKSA-N 2 1 293.480 3.150 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CC3(CCC3)C2)CCCCC1 ZINC000448073564 282043803 /nfs/dbraw/zinc/04/38/03/282043803.db2.gz ZXXFFKFUODEFEF-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000536700794 288499052 /nfs/dbraw/zinc/49/90/52/288499052.db2.gz YREROPGCYIYZAU-SQWLQELKSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000549035057 289032597 /nfs/dbraw/zinc/03/25/97/289032597.db2.gz VJOOUNDAUGAWMW-IMJJTQAJSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000549041352 289033733 /nfs/dbraw/zinc/03/37/33/289033733.db2.gz XCKIONFOILMWIG-KGLIPLIRSA-N 2 1 296.405 3.217 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCCCC3)CCOCC1 ZINC000449156348 289059795 /nfs/dbraw/zinc/05/97/95/289059795.db2.gz SGJOTPWPIQVEQG-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP CCCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550627610 289079620 /nfs/dbraw/zinc/07/96/20/289079620.db2.gz NHLWJTKHOWPAOB-MSOLQXFVSA-N 2 1 290.451 3.228 20 0 CGADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550627610 289079625 /nfs/dbraw/zinc/07/96/25/289079625.db2.gz NHLWJTKHOWPAOB-MSOLQXFVSA-N 2 1 290.451 3.228 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccco1 ZINC000552336552 289182201 /nfs/dbraw/zinc/18/22/01/289182201.db2.gz DQCWRLGJGRUDBK-GJZGRUSLSA-N 2 1 264.413 3.065 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccco1 ZINC000552336552 289182205 /nfs/dbraw/zinc/18/22/05/289182205.db2.gz DQCWRLGJGRUDBK-GJZGRUSLSA-N 2 1 264.413 3.065 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000552338812 289182598 /nfs/dbraw/zinc/18/25/98/289182598.db2.gz QAFYXVJBXMABCY-ABHNRTSZSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554090438 289257715 /nfs/dbraw/zinc/25/77/15/289257715.db2.gz RJPTXJKNCIJKMK-BVUBDWEXSA-N 2 1 294.389 3.140 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554090438 289257716 /nfs/dbraw/zinc/25/77/16/289257716.db2.gz RJPTXJKNCIJKMK-BVUBDWEXSA-N 2 1 294.389 3.140 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247029428 289304055 /nfs/dbraw/zinc/30/40/55/289304055.db2.gz LEKPSWFVYIVIEN-INMHGKMJSA-N 2 1 288.435 3.363 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000554850421 289313378 /nfs/dbraw/zinc/31/33/78/289313378.db2.gz LTXHNKQAGOQCKY-LBPRGKRZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000554850421 289313379 /nfs/dbraw/zinc/31/33/79/289313379.db2.gz LTXHNKQAGOQCKY-LBPRGKRZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000556203340 289377127 /nfs/dbraw/zinc/37/71/27/289377127.db2.gz KNOZRBCLYLXCFF-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000562958916 289746904 /nfs/dbraw/zinc/74/69/04/289746904.db2.gz XFDFQLVADMLKJE-VYDXJSESSA-N 2 1 292.471 3.425 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423216944 294109350 /nfs/dbraw/zinc/10/93/50/294109350.db2.gz SRWSQTRBYDWWPJ-DOMZBBRYSA-N 2 1 294.826 3.143 20 0 CGADMP [NH3+]CC[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000423189234 295235074 /nfs/dbraw/zinc/23/50/74/295235074.db2.gz QQSJHSRNWGACFG-GJZGRUSLSA-N 2 1 266.816 3.305 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCSc2ccccc21)C1CCCC1 ZINC000423533464 295244009 /nfs/dbraw/zinc/24/40/09/295244009.db2.gz TYLJBTNGCWODGD-LSDHHAIUSA-N 2 1 276.449 3.331 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346989847 297293830 /nfs/dbraw/zinc/29/38/30/297293830.db2.gz SDZSCUJGAVIIBW-KEYYUXOJSA-N 2 1 276.399 3.208 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000422749807 298886155 /nfs/dbraw/zinc/88/61/55/298886155.db2.gz BAGVFLBEUHWXEC-IVZWLZJFSA-N 2 1 258.768 3.256 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178957733 302150133 /nfs/dbraw/zinc/15/01/33/302150133.db2.gz RJFVWKXUHXDFKN-KRWDZBQOSA-N 2 1 258.409 3.132 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000165631930 321905453 /nfs/dbraw/zinc/90/54/53/321905453.db2.gz TYGCBOKTCBVECZ-AWEZNQCLSA-N 2 1 287.407 3.331 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000563872881 322013829 /nfs/dbraw/zinc/01/38/29/322013829.db2.gz QJFLHDOVEZALNP-GFCCVEGCSA-N 2 1 281.469 3.136 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000564252112 322024576 /nfs/dbraw/zinc/02/45/76/322024576.db2.gz NSXJKSHDWVPMGW-DOMZBBRYSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000564252112 322024578 /nfs/dbraw/zinc/02/45/78/322024578.db2.gz NSXJKSHDWVPMGW-DOMZBBRYSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000564252112 322024579 /nfs/dbraw/zinc/02/45/79/322024579.db2.gz NSXJKSHDWVPMGW-DOMZBBRYSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000564252112 322024581 /nfs/dbraw/zinc/02/45/81/322024581.db2.gz NSXJKSHDWVPMGW-DOMZBBRYSA-N 2 1 266.454 3.083 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000565863124 322094543 /nfs/dbraw/zinc/09/45/43/322094543.db2.gz ONDQMZMHOQZJFP-GJZGRUSLSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000565863124 322094544 /nfs/dbraw/zinc/09/45/44/322094544.db2.gz ONDQMZMHOQZJFP-GJZGRUSLSA-N 2 1 280.431 3.465 20 0 CGADMP CC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000565866519 322094648 /nfs/dbraw/zinc/09/46/48/322094648.db2.gz VWUDBVHUHJTZIU-ZWKOTPCHSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000566706552 322135249 /nfs/dbraw/zinc/13/52/49/322135249.db2.gz YLPLLQYVXCJYDK-RYRKJORJSA-N 2 1 278.484 3.476 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000567579873 322168904 /nfs/dbraw/zinc/16/89/04/322168904.db2.gz NSRQIXPQKWZCTL-VIFPVBQESA-N 2 1 291.258 3.161 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)c(C)c1 ZINC000568532364 322213218 /nfs/dbraw/zinc/21/32/18/322213218.db2.gz FCCJFIKKYZWKCA-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1ccc(C[N@H+]2CC3CCC2(C[NH3+])CC3)c(C)c1 ZINC000568532364 322213220 /nfs/dbraw/zinc/21/32/20/322213220.db2.gz FCCJFIKKYZWKCA-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP CCCC[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CCC1 ZINC000568643133 322217349 /nfs/dbraw/zinc/21/73/49/322217349.db2.gz CIOVALKYPJSBIN-INIZCTEOSA-N 2 1 263.429 3.301 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)COC)CC1)CC1CC1 ZINC000569103170 322234643 /nfs/dbraw/zinc/23/46/43/322234643.db2.gz QPSRLWMMMGUQHV-INIZCTEOSA-N 2 1 296.499 3.103 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000569339407 322244065 /nfs/dbraw/zinc/24/40/65/322244065.db2.gz BHIVHGXECMBCFG-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000569339407 322244064 /nfs/dbraw/zinc/24/40/64/322244064.db2.gz BHIVHGXECMBCFG-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)cc1 ZINC000570173966 322267066 /nfs/dbraw/zinc/26/70/66/322267066.db2.gz RYGXPPWMNQMFOR-UHFFFAOYSA-N 2 1 271.408 3.183 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)cc1 ZINC000570173966 322267068 /nfs/dbraw/zinc/26/70/68/322267068.db2.gz RYGXPPWMNQMFOR-UHFFFAOYSA-N 2 1 271.408 3.183 20 0 CGADMP CCc1ccc([C@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000570736519 322281114 /nfs/dbraw/zinc/28/11/14/322281114.db2.gz LVVRLBGMQPIBEL-SFHVURJKSA-N 2 1 297.446 3.405 20 0 CGADMP CCc1ccc([C@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000570736519 322281116 /nfs/dbraw/zinc/28/11/16/322281116.db2.gz LVVRLBGMQPIBEL-SFHVURJKSA-N 2 1 297.446 3.405 20 0 CGADMP Cc1cc(Br)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000570965474 322286431 /nfs/dbraw/zinc/28/64/31/322286431.db2.gz ITLPNKRRAADXIO-HTQZYQBOSA-N 2 1 291.258 3.034 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000571216228 322293051 /nfs/dbraw/zinc/29/30/51/322293051.db2.gz DQAHHDPQABLVJI-BZUAXINKSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000571216228 322293052 /nfs/dbraw/zinc/29/30/52/322293052.db2.gz DQAHHDPQABLVJI-BZUAXINKSA-N 2 1 252.446 3.297 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C[C@@H]1C ZINC000571350817 322296478 /nfs/dbraw/zinc/29/64/78/322296478.db2.gz PMWOUVDOJWOEPP-UTQGOSHXSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCCC2(C)C)CCCO1 ZINC000571382383 322297228 /nfs/dbraw/zinc/29/72/28/322297228.db2.gz ZMURZKABUWTDMU-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCCC2(C)C)CCCO1 ZINC000571382383 322297230 /nfs/dbraw/zinc/29/72/30/322297230.db2.gz ZMURZKABUWTDMU-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc([C@H]([NH2+]CCC[NH2+]C(C)C)C2CCC2)o1 ZINC000571789063 322308109 /nfs/dbraw/zinc/30/81/09/322308109.db2.gz GLVHHQULJZFHCG-MRXNPFEDSA-N 2 1 264.413 3.407 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1C(F)(F)F ZINC000571892060 322311159 /nfs/dbraw/zinc/31/11/59/322311159.db2.gz VDTVFPXCNRGXRS-DGCLKSJQSA-N 2 1 286.341 3.325 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000572558442 322343868 /nfs/dbraw/zinc/34/38/68/322343868.db2.gz AUEHKLFKZZKBRV-ULQDDVLXSA-N 2 1 284.488 3.292 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000583701339 329092989 /nfs/dbraw/zinc/09/29/89/329092989.db2.gz KYJOZDHSRAQSOX-CQSZACIVSA-N 2 1 263.429 3.253 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000583701339 329092990 /nfs/dbraw/zinc/09/29/90/329092990.db2.gz KYJOZDHSRAQSOX-CQSZACIVSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnc3ccccc23)C[C@H]1C[NH3+] ZINC000397265988 329346780 /nfs/dbraw/zinc/34/67/80/329346780.db2.gz KIRFOHKGXBLEBP-IIAWOOMASA-N 2 1 283.419 3.040 20 0 CGADMP c1sc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1-c1ccccc1 ZINC000576755328 335243884 /nfs/dbraw/zinc/24/38/84/335243884.db2.gz IRIWZBXSLOBPJQ-WBVHZDCISA-N 2 1 298.455 3.456 20 0 CGADMP c1sc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1-c1ccccc1 ZINC000576755326 335244057 /nfs/dbraw/zinc/24/40/57/335244057.db2.gz IRIWZBXSLOBPJQ-NVXWUHKLSA-N 2 1 298.455 3.456 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(OC(F)F)cc1C ZINC000576874440 335258648 /nfs/dbraw/zinc/25/86/48/335258648.db2.gz PHNNBSDNYZHCEF-CYBMUJFWSA-N 2 1 298.377 3.076 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(OC(F)F)cc1C ZINC000576874440 335258649 /nfs/dbraw/zinc/25/86/49/335258649.db2.gz PHNNBSDNYZHCEF-CYBMUJFWSA-N 2 1 298.377 3.076 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000577125209 335305018 /nfs/dbraw/zinc/30/50/18/335305018.db2.gz OALLSULWXGVNAA-QWHCGFSZSA-N 2 1 261.413 3.216 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000577214369 335323844 /nfs/dbraw/zinc/32/38/44/335323844.db2.gz HZPSCDNQQRBGMP-CZUORRHYSA-N 2 1 276.424 3.180 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000581199769 336023870 /nfs/dbraw/zinc/02/38/70/336023870.db2.gz JVVYMBDYZQSEOY-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000581199769 336023872 /nfs/dbraw/zinc/02/38/72/336023872.db2.gz JVVYMBDYZQSEOY-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380932814 336040011 /nfs/dbraw/zinc/04/00/11/336040011.db2.gz HPVBOXYAGDTRLF-KBAYOESNSA-N 2 1 272.436 3.287 20 0 CGADMP C[N@H+]1CCC[C@H](CN[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000194990487 336042215 /nfs/dbraw/zinc/04/22/15/336042215.db2.gz JVOLRKQSWVQAFH-APWZRJJASA-N 2 1 295.430 3.102 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000581397281 336068195 /nfs/dbraw/zinc/06/81/95/336068195.db2.gz ODNHMZSVQWNNLF-XGACYXMMSA-N 2 1 294.389 3.298 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000382131513 336082472 /nfs/dbraw/zinc/08/24/72/336082472.db2.gz OUAZANULZJLQIA-KKUMJFAQSA-N 2 1 264.438 3.416 20 0 CGADMP C[N@H+](CC[NH2+]C(C1CCC1)C1CCC1)C1CCCC1 ZINC000382263883 336085130 /nfs/dbraw/zinc/08/51/30/336085130.db2.gz HXNWRRWUNLOJEW-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+]C(C1CCC1)C1CCC1)C1CCCC1 ZINC000382263883 336085131 /nfs/dbraw/zinc/08/51/31/336085131.db2.gz HXNWRRWUNLOJEW-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000385108956 336138852 /nfs/dbraw/zinc/13/88/52/336138852.db2.gz COPCDSFKALDWLN-UMVBOHGHSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCF)C2)s1 ZINC000581946921 336174850 /nfs/dbraw/zinc/17/48/50/336174850.db2.gz HLGYPJMXGQJRNP-AWEZNQCLSA-N 2 1 284.444 3.170 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCF)C2)s1 ZINC000581946921 336174851 /nfs/dbraw/zinc/17/48/51/336174851.db2.gz HLGYPJMXGQJRNP-AWEZNQCLSA-N 2 1 284.444 3.170 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCF)C2)s1 ZINC000581946921 336174852 /nfs/dbraw/zinc/17/48/52/336174852.db2.gz HLGYPJMXGQJRNP-AWEZNQCLSA-N 2 1 284.444 3.170 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362954 533767017 /nfs/dbraw/zinc/76/70/17/533767017.db2.gz IOMCQZFVZUFBPW-JDSLSITLSA-N 2 1 294.389 3.189 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Cl)c1 ZINC000414772927 533864658 /nfs/dbraw/zinc/86/46/58/533864658.db2.gz VTMNNBHVAMLXAS-CWRNSKLLSA-N 2 1 292.854 3.375 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424381023 533876956 /nfs/dbraw/zinc/87/69/56/533876956.db2.gz QKAYJEMNLLMYHR-AWEZNQCLSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(F)c1F ZINC000423350781 533889244 /nfs/dbraw/zinc/88/92/44/533889244.db2.gz XZLGAGWKXIOUGA-NHYWBVRUSA-N 2 1 268.351 3.005 20 0 CGADMP CSc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000356093871 534202873 /nfs/dbraw/zinc/20/28/73/534202873.db2.gz JKLAZXNKLJOGQF-GFCCVEGCSA-N 2 1 284.494 3.244 20 0 CGADMP CSc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000356093871 534202878 /nfs/dbraw/zinc/20/28/78/534202878.db2.gz JKLAZXNKLJOGQF-GFCCVEGCSA-N 2 1 284.494 3.244 20 0 CGADMP CSc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000356093871 534202888 /nfs/dbraw/zinc/20/28/88/534202888.db2.gz JKLAZXNKLJOGQF-GFCCVEGCSA-N 2 1 284.494 3.244 20 0 CGADMP CSc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000356093871 534202894 /nfs/dbraw/zinc/20/28/94/534202894.db2.gz JKLAZXNKLJOGQF-GFCCVEGCSA-N 2 1 284.494 3.244 20 0 CGADMP Cc1ccsc1C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000428265757 534469066 /nfs/dbraw/zinc/46/90/66/534469066.db2.gz PMESFKRBXFLULH-UHFFFAOYSA-N 2 1 266.454 3.364 20 0 CGADMP Cc1ccsc1C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000428265757 534469073 /nfs/dbraw/zinc/46/90/73/534469073.db2.gz PMESFKRBXFLULH-UHFFFAOYSA-N 2 1 266.454 3.364 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000424199823 534487969 /nfs/dbraw/zinc/48/79/69/534487969.db2.gz QJADCLPNCSUDSW-VQTJNVASSA-N 2 1 298.474 3.472 20 0 CGADMP Fc1cccc(C[C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359219715 534520085 /nfs/dbraw/zinc/52/00/85/534520085.db2.gz MEBYFQTXJGIKPG-SFHVURJKSA-N 2 1 290.426 3.222 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3cccnc32)C1 ZINC000081568058 521496987 /nfs/dbraw/zinc/49/69/87/521496987.db2.gz IPSAFVUKQMJDDR-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000081568058 521496993 /nfs/dbraw/zinc/49/69/93/521496993.db2.gz IPSAFVUKQMJDDR-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000081568058 521496999 /nfs/dbraw/zinc/49/69/99/521496999.db2.gz IPSAFVUKQMJDDR-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000102423161 521717466 /nfs/dbraw/zinc/71/74/66/521717466.db2.gz RENAGIWBAAFIOH-GSPCDJLXSA-N 2 1 258.409 3.021 20 0 CGADMP CCc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157455223 521844414 /nfs/dbraw/zinc/84/44/14/521844414.db2.gz UCBPKMCGSKWJHL-ROUUACIJSA-N 2 1 266.388 3.483 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)F)cc1)CC(C)(C)C[NH3+] ZINC000150300483 523217533 /nfs/dbraw/zinc/21/75/33/523217533.db2.gz KUHQPTLCEJCRGF-UHFFFAOYSA-N 2 1 256.340 3.041 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277538420 524340568 /nfs/dbraw/zinc/34/05/68/524340568.db2.gz QFIFGFIHEGKWDQ-RHSMWYFYSA-N 2 1 278.415 3.345 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000049554402 524473379 /nfs/dbraw/zinc/47/33/79/524473379.db2.gz CZSPSDVFIPWYEB-JTQLQIEISA-N 2 1 275.223 3.423 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157673768 525236120 /nfs/dbraw/zinc/23/61/20/525236120.db2.gz DUZMEQFDWVPRQW-NEPJUHHUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000157770088 525267158 /nfs/dbraw/zinc/26/71/58/525267158.db2.gz FPMVUUBPVDWNSQ-DYVFJYSZSA-N 2 1 258.409 3.136 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356669 534879442 /nfs/dbraw/zinc/87/94/42/534879442.db2.gz HCUKHTRZAAQYCO-WCQYABFASA-N 2 1 281.469 3.368 20 0 CGADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000157619712 527587200 /nfs/dbraw/zinc/58/72/00/527587200.db2.gz YZNWGRPSVSZBBI-ZFWWWQNUSA-N 2 1 292.471 3.081 20 0 CGADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000157619712 527587202 /nfs/dbraw/zinc/58/72/02/527587202.db2.gz YZNWGRPSVSZBBI-ZFWWWQNUSA-N 2 1 292.471 3.081 20 0 CGADMP CC(C)(C)C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000423440054 527694179 /nfs/dbraw/zinc/69/41/79/527694179.db2.gz SWIHYXKPIYMGPI-QXSJWSMHSA-N 2 1 276.399 3.110 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2OC)C1 ZINC000449035891 527848120 /nfs/dbraw/zinc/84/81/20/527848120.db2.gz INPUGBKPBQHIHH-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2OC)C1 ZINC000449035891 527848128 /nfs/dbraw/zinc/84/81/28/527848128.db2.gz INPUGBKPBQHIHH-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2OC)C1 ZINC000449035891 527848132 /nfs/dbraw/zinc/84/81/32/527848132.db2.gz INPUGBKPBQHIHH-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2OC)C1 ZINC000449035891 527848137 /nfs/dbraw/zinc/84/81/37/527848137.db2.gz INPUGBKPBQHIHH-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccoc1 ZINC000423367319 527850236 /nfs/dbraw/zinc/85/02/36/527850236.db2.gz AEGGAXADWQXCAL-KBMXLJTQSA-N 2 1 264.413 3.487 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000367897213 528105344 /nfs/dbraw/zinc/10/53/44/528105344.db2.gz LMRJJSGDMKTJQH-RDJZCZTQSA-N 2 1 275.440 3.196 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000367897213 528105350 /nfs/dbraw/zinc/10/53/50/528105350.db2.gz LMRJJSGDMKTJQH-RDJZCZTQSA-N 2 1 275.440 3.196 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(OC)cc1 ZINC000423270622 528223096 /nfs/dbraw/zinc/22/30/96/528223096.db2.gz IEXDLFLKKOEYDR-CVEARBPZSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423275397 528534662 /nfs/dbraw/zinc/53/46/62/528534662.db2.gz NDDDEUPJLAQVDB-GWCFXTLKSA-N 2 1 290.329 3.219 20 0 CGADMP CCCC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000423415312 528855481 /nfs/dbraw/zinc/85/54/81/528855481.db2.gz DMNKITVWTYGPAT-QZTJIDSGSA-N 2 1 290.451 3.276 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423288587 528951653 /nfs/dbraw/zinc/95/16/53/528951653.db2.gz TVOPHNWNFWWTMS-CYBMUJFWSA-N 2 1 264.413 3.400 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000437758250 529051496 /nfs/dbraw/zinc/05/14/96/529051496.db2.gz AWUHFKXWDHPQTQ-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000423285537 529070313 /nfs/dbraw/zinc/07/03/13/529070313.db2.gz ZILAWSDRNKSBJX-PSASIEDQSA-N 2 1 291.258 3.145 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423326814 529178555 /nfs/dbraw/zinc/17/85/55/529178555.db2.gz RDZNJAHOELDNCN-VHSXEESVSA-N 2 1 258.818 3.180 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(F)cc1 ZINC000423262969 529206582 /nfs/dbraw/zinc/20/65/82/529206582.db2.gz NXIZMNPHIWKTFN-LSDHHAIUSA-N 2 1 252.377 3.240 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432406633 535384719 /nfs/dbraw/zinc/38/47/19/535384719.db2.gz IBYPMPXOOPIQDC-IAGOWNOFSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432406633 535384720 /nfs/dbraw/zinc/38/47/20/535384720.db2.gz IBYPMPXOOPIQDC-IAGOWNOFSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000037140813 535894896 /nfs/dbraw/zinc/89/48/96/535894896.db2.gz RDVHNXXOOFSDKK-AWEZNQCLSA-N 2 1 264.438 3.416 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000483317044 535942293 /nfs/dbraw/zinc/94/22/93/535942293.db2.gz WUSVTWYDKUGKKG-DZKIICNBSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000483317044 535942298 /nfs/dbraw/zinc/94/22/98/535942298.db2.gz WUSVTWYDKUGKKG-DZKIICNBSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C/c2ccccc2)C1 ZINC000459723857 536383851 /nfs/dbraw/zinc/38/38/51/536383851.db2.gz DDWSACCVBAXATF-HFTQHKIXSA-N 2 1 258.409 3.021 20 0 CGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCC[C@H]1C ZINC000487971664 536835592 /nfs/dbraw/zinc/83/55/92/536835592.db2.gz LBMXNUWCLBTLRL-NVXWUHKLSA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCC[C@H]1C ZINC000487971664 536835597 /nfs/dbraw/zinc/83/55/97/536835597.db2.gz LBMXNUWCLBTLRL-NVXWUHKLSA-N 2 1 293.455 3.109 20 0 CGADMP COc1cccc2c(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc(C)[nH+]c12 ZINC000482010321 536934238 /nfs/dbraw/zinc/93/42/38/536934238.db2.gz WUBUAOLZCNQJKO-UONOGXRCSA-N 2 1 299.418 3.446 20 0 CGADMP COc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc(C)[nH+]c12 ZINC000482010321 536934239 /nfs/dbraw/zinc/93/42/39/536934239.db2.gz WUBUAOLZCNQJKO-UONOGXRCSA-N 2 1 299.418 3.446 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226434657 572349945 /nfs/dbraw/zinc/34/99/45/572349945.db2.gz AIWSITLQSBLPRQ-CYBMUJFWSA-N 2 1 286.341 3.137 20 0 CGADMP C[C@H]1SCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000220530505 572425818 /nfs/dbraw/zinc/42/58/18/572425818.db2.gz YORBBUNDWZEILE-RHSMWYFYSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000420411745 617791077 /nfs/dbraw/zinc/79/10/77/617791077.db2.gz YBKFFKAMYKDOKI-OAGGEKHMSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000420411745 617791083 /nfs/dbraw/zinc/79/10/83/617791083.db2.gz YBKFFKAMYKDOKI-OAGGEKHMSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Cl)s2)CC[NH2+]1 ZINC000235379547 618772722 /nfs/dbraw/zinc/77/27/22/618772722.db2.gz ULVFHPXTGVXGOK-MNOVXSKESA-N 2 1 272.845 3.221 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000924572542 618855554 /nfs/dbraw/zinc/85/55/54/618855554.db2.gz RSSXJBKOCICXNO-KBAYOESNSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)o1 ZINC000163263649 618886917 /nfs/dbraw/zinc/88/69/17/618886917.db2.gz SFRDESBALPGYHS-UHFFFAOYSA-N 2 1 264.413 3.295 20 0 CGADMP CCC[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926844178 618933460 /nfs/dbraw/zinc/93/34/60/618933460.db2.gz ZBSCEUPPNAJZQV-XYTVBORESA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000925520241 619012703 /nfs/dbraw/zinc/01/27/03/619012703.db2.gz LQOMSVTZYAOICW-ABAIWWIYSA-N 2 1 291.826 3.094 20 0 CGADMP COC1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000893200998 619026736 /nfs/dbraw/zinc/02/67/36/619026736.db2.gz SAOQYTLGYPKOEZ-ADKAHSJRSA-N 2 1 296.499 3.149 20 0 CGADMP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925675719 619125711 /nfs/dbraw/zinc/12/57/11/619125711.db2.gz OOQAMBQYUABVGC-XEZPLFJOSA-N 2 1 290.838 3.460 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+]([C@H]3C=CCCCCC3)C[C@@]2(C)C1 ZINC000931315041 619142625 /nfs/dbraw/zinc/14/26/25/619142625.db2.gz SOYSWOGLHGCTTC-GVDBMIGSSA-N 2 1 262.441 3.149 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261719932 619386847 /nfs/dbraw/zinc/38/68/47/619386847.db2.gz FSFKRAPFUQFXOA-SUMWQHHRSA-N 2 1 272.392 3.425 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000894206957 619417834 /nfs/dbraw/zinc/41/78/34/619417834.db2.gz LUZAXMDGASNPER-QGZVFWFLSA-N 2 1 290.451 3.041 20 0 CGADMP c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)[nH]1 ZINC000894210689 619425182 /nfs/dbraw/zinc/42/51/82/619425182.db2.gz IVFGCOQLRFNYBF-UHFFFAOYSA-N 2 1 298.434 3.076 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494165 619555289 /nfs/dbraw/zinc/55/52/89/619555289.db2.gz CVXLFFLITWFEHD-JENIJYKNSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494165 619555300 /nfs/dbraw/zinc/55/53/00/619555300.db2.gz CVXLFFLITWFEHD-JENIJYKNSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494165 619555307 /nfs/dbraw/zinc/55/53/07/619555307.db2.gz CVXLFFLITWFEHD-JENIJYKNSA-N 2 1 284.447 3.133 20 0 CGADMP COCCCC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCC1 ZINC000894621714 619590255 /nfs/dbraw/zinc/59/02/55/619590255.db2.gz CMGPWEQAQYWKFG-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP COCCCC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000894621714 619590265 /nfs/dbraw/zinc/59/02/65/619590265.db2.gz CMGPWEQAQYWKFG-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP COCCCC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CCC1 ZINC000894621714 619590271 /nfs/dbraw/zinc/59/02/71/619590271.db2.gz CMGPWEQAQYWKFG-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP Cc1coc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000894766513 619630342 /nfs/dbraw/zinc/63/03/42/619630342.db2.gz QJNGOYUBCDRVOE-UHFFFAOYSA-N 2 1 272.392 3.282 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C/c1cccc(F)c1 ZINC000894781629 619633441 /nfs/dbraw/zinc/63/34/41/619633441.db2.gz GTWAOSQASIMUOF-UHZVSMRUSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C/c1cccc(F)c1 ZINC000894781629 619633448 /nfs/dbraw/zinc/63/34/48/619633448.db2.gz GTWAOSQASIMUOF-UHZVSMRUSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C/c1cccc(F)c1 ZINC000894781629 619633452 /nfs/dbraw/zinc/63/34/52/619633452.db2.gz GTWAOSQASIMUOF-UHZVSMRUSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC000894781629 619633454 /nfs/dbraw/zinc/63/34/54/619633454.db2.gz GTWAOSQASIMUOF-UHZVSMRUSA-N 2 1 276.399 3.111 20 0 CGADMP Cc1nc2ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc2s1 ZINC000895293011 619798389 /nfs/dbraw/zinc/79/83/89/619798389.db2.gz FKNJCLVRVJHAGI-NSHDSACASA-N 2 1 277.437 3.035 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)sn1 ZINC000895375841 619817023 /nfs/dbraw/zinc/81/70/23/619817023.db2.gz FBDSZEZOJZWIAM-DOMZBBRYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)sn1 ZINC000895375841 619817024 /nfs/dbraw/zinc/81/70/24/619817024.db2.gz FBDSZEZOJZWIAM-DOMZBBRYSA-N 2 1 281.469 3.004 20 0 CGADMP CCCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479551 619836235 /nfs/dbraw/zinc/83/62/35/619836235.db2.gz PXHATTGWKXZHRG-ZBFHGGJFSA-N 2 1 284.513 3.230 20 0 CGADMP CC[C@H]1C[C@H](C[N@@H+](C)CCCC[NH+]2CCCCC2)CCO1 ZINC000895683485 619872035 /nfs/dbraw/zinc/87/20/35/619872035.db2.gz MCOCKUUGBVCDCW-MSOLQXFVSA-N 2 1 296.499 3.390 20 0 CGADMP CCc1cc(NC2CCC(C)([NH+]3CCC3)CC2)nc(C)[nH+]1 ZINC000896254209 619979132 /nfs/dbraw/zinc/97/91/32/619979132.db2.gz GZKDCUXGGDDEAY-UHFFFAOYSA-N 2 1 288.439 3.166 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000897417260 620296891 /nfs/dbraw/zinc/29/68/91/620296891.db2.gz GVXMSNDSTMNJPR-PVAVHDDUSA-N 2 1 288.435 3.281 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCC3(CC3)C2)s1 ZINC000897772112 620426738 /nfs/dbraw/zinc/42/67/38/620426738.db2.gz MENLUIBCMWEZMG-LBPRGKRZSA-N 2 1 279.453 3.017 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)cn1 ZINC000924723235 620577379 /nfs/dbraw/zinc/57/73/79/620577379.db2.gz JZHRTDJEXHJHKQ-LAQFHYBYSA-N 2 1 284.407 3.100 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841069441 620603278 /nfs/dbraw/zinc/60/32/78/620603278.db2.gz ADAMYRNBEVJPMV-SNVBAGLBSA-N 2 1 278.343 3.125 20 0 CGADMP CC[N@@H+](CCCCCCC[NH3+])Cc1cccs1 ZINC000042488301 621041012 /nfs/dbraw/zinc/04/10/12/621041012.db2.gz KZRNZTIWIWHVFI-UHFFFAOYSA-N 2 1 254.443 3.479 20 0 CGADMP COCC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C)o1 ZINC000902370536 621276149 /nfs/dbraw/zinc/27/61/49/621276149.db2.gz OZLAITDGNKKMDQ-LSDHHAIUSA-N 2 1 294.439 3.033 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC2(C)C)C1 ZINC000902446399 621315318 /nfs/dbraw/zinc/31/53/18/621315318.db2.gz SWWSQHSVIWKKNZ-PMPSAXMXSA-N 2 1 287.451 3.004 20 0 CGADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902477343 621326584 /nfs/dbraw/zinc/32/65/84/621326584.db2.gz SOAJTFSLHTWSNZ-DFBDCSAJSA-N 2 1 270.420 3.114 20 0 CGADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902471788 621342044 /nfs/dbraw/zinc/34/20/44/621342044.db2.gz SOAJTFSLHTWSNZ-IGKNDFSCSA-N 2 1 270.420 3.114 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000902752437 621425853 /nfs/dbraw/zinc/42/58/53/621425853.db2.gz JRGOHGXZBFFCSR-SQNIBIBYSA-N 2 1 294.483 3.044 20 0 CGADMP Fc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903059833 621547328 /nfs/dbraw/zinc/54/73/28/621547328.db2.gz PCIUXSHFHAGFSX-ZNXRZULTSA-N 2 1 288.410 3.116 20 0 CGADMP C1=CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903078268 621559529 /nfs/dbraw/zinc/55/95/29/621559529.db2.gz FBGBMCWPVOBDIV-ZBSSRIJBSA-N 2 1 260.425 3.090 20 0 CGADMP CCC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903117829 621587182 /nfs/dbraw/zinc/58/71/82/621587182.db2.gz RLZVZVIWONUURP-WYQXTGKHSA-N 2 1 250.430 3.313 20 0 CGADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C[C@@H]1CCCCO1 ZINC000903154233 621599792 /nfs/dbraw/zinc/59/97/92/621599792.db2.gz USLPKHVSQJGTTA-ONQFOCNCSA-N 2 1 292.467 3.083 20 0 CGADMP COC[C@H](CC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903197190 621622387 /nfs/dbraw/zinc/62/23/87/621622387.db2.gz WLZMTINPUGSPMS-AZZBFNOKSA-N 2 1 294.483 3.185 20 0 CGADMP F[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903209674 621630167 /nfs/dbraw/zinc/63/01/67/621630167.db2.gz NDOSKPLFCYFNIA-HJGRSGLPSA-N 2 1 266.404 3.015 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903383708 621725354 /nfs/dbraw/zinc/72/53/54/621725354.db2.gz NXCULCPWQYIQLD-GOEBONIOSA-N 2 1 263.429 3.099 20 0 CGADMP C[C@H](CC1CCC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903384397 621725867 /nfs/dbraw/zinc/72/58/67/621725867.db2.gz RNHQENXMVVTAEP-RHSMWYFYSA-N 2 1 275.440 3.243 20 0 CGADMP c1cc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)ccn1 ZINC000903427676 621742795 /nfs/dbraw/zinc/74/27/95/621742795.db2.gz IMUUUUFKXQNZCJ-ZCTYVAAUSA-N 2 1 297.446 3.280 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430976 621743732 /nfs/dbraw/zinc/74/37/32/621743732.db2.gz BBVOYHDIAZMUCE-HLLBOEOZSA-N 2 1 258.409 3.259 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)c1ccc(F)cc1 ZINC000903431112 621744016 /nfs/dbraw/zinc/74/40/16/621744016.db2.gz NORXYOHZKVPHSP-IOASZLSFSA-N 2 1 264.388 3.336 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903424934 621751287 /nfs/dbraw/zinc/75/12/87/621751287.db2.gz MISJQDWPFSSYRA-DTZQCDIJSA-N 2 1 294.389 3.095 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000903450421 621760403 /nfs/dbraw/zinc/76/04/03/621760403.db2.gz VBRDGFUNTSWABW-HIFRSBDPSA-N 2 1 278.465 3.358 20 0 CGADMP c1ccc([C@]23C[C@H]2C[N@H+](CCCC2CC[NH2+]CC2)C3)cc1 ZINC000903490788 621766456 /nfs/dbraw/zinc/76/64/56/621766456.db2.gz IFVXZCNQBQEFCC-RBUKOAKNSA-N 2 1 284.447 3.040 20 0 CGADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000903565544 621767877 /nfs/dbraw/zinc/76/78/77/621767877.db2.gz LPTSASQKHFQUMP-HNNXBMFYSA-N 2 1 270.461 3.175 20 0 CGADMP CC(C)C[N@@H+](CCCCCC[NH3+])Cc1ccccn1 ZINC000903575387 621768172 /nfs/dbraw/zinc/76/81/72/621768172.db2.gz MKQMSTCQEHVGKA-UHFFFAOYSA-N 2 1 263.429 3.059 20 0 CGADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732854 621797596 /nfs/dbraw/zinc/79/75/96/621797596.db2.gz HAWFRDGMLIXXHY-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753165 621800473 /nfs/dbraw/zinc/80/04/73/621800473.db2.gz RVGRWJNVWVARKX-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1cc(F)ccc1F ZINC000903760185 621802620 /nfs/dbraw/zinc/80/26/20/621802620.db2.gz VXNQGTSPWQZALO-WBMJQRKESA-N 2 1 282.378 3.395 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cc(C3CC3)no2)CCC1 ZINC000903810542 621813224 /nfs/dbraw/zinc/81/32/24/621813224.db2.gz DJUHGCKPWBZZFD-MRXNPFEDSA-N 2 1 289.423 3.036 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cc(C3CC3)no2)CCC1 ZINC000903810542 621813228 /nfs/dbraw/zinc/81/32/28/621813228.db2.gz DJUHGCKPWBZZFD-MRXNPFEDSA-N 2 1 289.423 3.036 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCSC(F)(F)F)CCC1 ZINC000903812355 621814103 /nfs/dbraw/zinc/81/41/03/621814103.db2.gz RXGYWBAFBNQQMR-LLVKDONJSA-N 2 1 296.402 3.223 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000903841902 621819475 /nfs/dbraw/zinc/81/94/75/621819475.db2.gz HZFJFCCMSDYQMT-MEQWQQMJSA-N 2 1 276.811 3.139 20 0 CGADMP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)CC[C@@H]1c1ccccc1 ZINC000903898864 621829947 /nfs/dbraw/zinc/82/99/47/621829947.db2.gz OTZSTQLZBLSVCR-BMFZPTHFSA-N 2 1 296.405 3.485 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)CC[C@@H]1c1ccccc1 ZINC000903898864 621829949 /nfs/dbraw/zinc/82/99/49/621829949.db2.gz OTZSTQLZBLSVCR-BMFZPTHFSA-N 2 1 296.405 3.485 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959753 621836952 /nfs/dbraw/zinc/83/69/52/621836952.db2.gz NNIBVCPBRFENSQ-AHKGRUIUSA-N 2 1 270.420 3.165 20 0 CGADMP Cc1cc(F)c(C[NH2+]CCC(C)(C)[NH3+])c(Cl)c1 ZINC000903940007 621838213 /nfs/dbraw/zinc/83/82/13/621838213.db2.gz STADJYRDHGBQBU-UHFFFAOYSA-N 2 1 258.768 3.005 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000904301740 621902058 /nfs/dbraw/zinc/90/20/58/621902058.db2.gz QEQWVIQSHFUWTH-FZMZJTMJSA-N 2 1 286.341 3.323 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000904301740 621902062 /nfs/dbraw/zinc/90/20/62/621902062.db2.gz QEQWVIQSHFUWTH-FZMZJTMJSA-N 2 1 286.341 3.323 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@]2(C)CCC[NH2+]C2)s1 ZINC000904323284 621906977 /nfs/dbraw/zinc/90/69/77/621906977.db2.gz NRCZBAMEWOHOKE-CZUORRHYSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)s1 ZINC000904323284 621906981 /nfs/dbraw/zinc/90/69/81/621906981.db2.gz NRCZBAMEWOHOKE-CZUORRHYSA-N 2 1 295.496 3.396 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325287 621907551 /nfs/dbraw/zinc/90/75/51/621907551.db2.gz VBRNIPUIEOHDHU-BBWFWOEESA-N 2 1 260.425 3.067 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000904342660 621909746 /nfs/dbraw/zinc/90/97/46/621909746.db2.gz MMEYLAZOZAYYET-KYOSRNDESA-N 2 1 298.352 3.232 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904355155 621911195 /nfs/dbraw/zinc/91/11/95/621911195.db2.gz KLQNSYKKQAAUJH-CYBMUJFWSA-N 2 1 286.341 3.241 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000904406135 621918038 /nfs/dbraw/zinc/91/80/38/621918038.db2.gz RMCDUZRLZOSYME-WBVHZDCISA-N 2 1 260.425 3.097 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000904405990 621918093 /nfs/dbraw/zinc/91/80/93/621918093.db2.gz NEJPQCXTRHRFNS-SNVBAGLBSA-N 2 1 290.304 3.015 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000904404649 621918114 /nfs/dbraw/zinc/91/81/14/621918114.db2.gz BTVSTOWORINARR-CQSZACIVSA-N 2 1 270.376 3.117 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c2ccccc12 ZINC000904412678 621919230 /nfs/dbraw/zinc/91/92/30/621919230.db2.gz WDUFCKHLYIXLJA-HUUCEWRRSA-N 2 1 298.430 3.265 20 0 CGADMP Cc1cc(C)c(COc2ccc3c(c2)C[NH2+]C3)c(C)[nH+]1 ZINC000905616805 622090533 /nfs/dbraw/zinc/09/05/33/622090533.db2.gz WLYADPACLFEGJX-UHFFFAOYSA-N 2 1 268.360 3.189 20 0 CGADMP CC(C)(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000324342184 623800579 /nfs/dbraw/zinc/80/05/79/623800579.db2.gz DORMOUJHFJMSRB-RRFJBIMHSA-N 2 1 250.430 3.028 20 0 CGADMP CCSc1ccccc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000922706968 626034926 /nfs/dbraw/zinc/03/49/26/626034926.db2.gz OBSGWLOYNPWOOF-UHFFFAOYSA-N 2 1 278.465 3.025 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)CC1(C)C ZINC000922843228 626056124 /nfs/dbraw/zinc/05/61/24/626056124.db2.gz QRKYRUJTQJZSQM-UONOGXRCSA-N 2 1 282.497 3.267 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000923272222 626141540 /nfs/dbraw/zinc/14/15/40/626141540.db2.gz DYLUTXOWLPJGPG-KRWDZBQOSA-N 2 1 272.436 3.254 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000923321374 626145839 /nfs/dbraw/zinc/14/58/39/626145839.db2.gz LQXMCHOQCLRABQ-MMNRESRNSA-N 2 1 285.435 3.139 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000923482365 626157243 /nfs/dbraw/zinc/15/72/43/626157243.db2.gz ZGCQZEXLCLJNLP-LLVKDONJSA-N 2 1 278.783 3.257 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923526930 626161194 /nfs/dbraw/zinc/16/11/94/626161194.db2.gz WDDOSTMRUNEFNA-PVAVHDDUSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CC[N@H+]1C ZINC000764591637 627213702 /nfs/dbraw/zinc/21/37/02/627213702.db2.gz XUVOTYRODPLMBH-JRHYKELJSA-N 2 1 276.468 3.275 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc[nH]1 ZINC000764613317 627214881 /nfs/dbraw/zinc/21/48/81/627214881.db2.gz CNVYOOPCSCQHCC-MRXNPFEDSA-N 2 1 297.446 3.372 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000764882042 627231745 /nfs/dbraw/zinc/23/17/45/627231745.db2.gz BFLIQYMSZSXYBK-KSSFIOAISA-N 2 1 270.420 3.056 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765974437 627283048 /nfs/dbraw/zinc/28/30/48/627283048.db2.gz HJTDXMQCMWUMEX-SZMVWBNQSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)Cc2ccccc21 ZINC000767355787 627401055 /nfs/dbraw/zinc/40/10/55/627401055.db2.gz VHJKHYVMSWJLIJ-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)Cc2ccccc21 ZINC000767355787 627401057 /nfs/dbraw/zinc/40/10/57/627401057.db2.gz VHJKHYVMSWJLIJ-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)Cc2ccccc21 ZINC000767355787 627401058 /nfs/dbraw/zinc/40/10/58/627401058.db2.gz VHJKHYVMSWJLIJ-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2CCCSC2)C1 ZINC000769011186 627516812 /nfs/dbraw/zinc/51/68/12/627516812.db2.gz CFJUKTFACZVGPG-RBSFLKMASA-N 2 1 284.513 3.228 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C1CC2(CCC2)C1)[NH+](C)C ZINC000772867230 627829995 /nfs/dbraw/zinc/82/99/95/627829995.db2.gz IBQKGVZKRIEHFU-HNNXBMFYSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccccc2[nH]1 ZINC000775621513 628114177 /nfs/dbraw/zinc/11/41/77/628114177.db2.gz KWFFAFYGRNPBFD-OWQGQXMQSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccccc2[nH]1 ZINC000775621513 628114182 /nfs/dbraw/zinc/11/41/82/628114182.db2.gz KWFFAFYGRNPBFD-OWQGQXMQSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2ccccc2[nH]1 ZINC000775622856 628115207 /nfs/dbraw/zinc/11/52/07/628115207.db2.gz JKJCXCRHKYFWRD-ZDUSSCGKSA-N 2 1 283.419 3.445 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775622217 628115401 /nfs/dbraw/zinc/11/54/01/628115401.db2.gz RRPBTIVFFIOGFF-CYBMUJFWSA-N 2 1 282.391 3.414 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C1(C)C ZINC000776161670 628172601 /nfs/dbraw/zinc/17/26/01/628172601.db2.gz YPHNDGHYLFODBK-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(CF)cc2)CC1 ZINC000777571804 628283644 /nfs/dbraw/zinc/28/36/44/628283644.db2.gz ACAMQGVDPNWFPB-UHFFFAOYSA-N 2 1 278.415 3.461 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCc3ccccc32)C1 ZINC000780292990 628479787 /nfs/dbraw/zinc/47/97/87/628479787.db2.gz OZIMITGKCBVTFE-PKOBYXMFSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292990 628479789 /nfs/dbraw/zinc/47/97/89/628479789.db2.gz OZIMITGKCBVTFE-PKOBYXMFSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292990 628479791 /nfs/dbraw/zinc/47/97/91/628479791.db2.gz OZIMITGKCBVTFE-PKOBYXMFSA-N 2 1 298.474 3.380 20 0 CGADMP C[C@H]1CC[C@H]1[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783222534 628689600 /nfs/dbraw/zinc/68/96/00/628689600.db2.gz MKFMHARMMSUTFD-LJISPDSOSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1CC[C@H]1[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783222534 628689601 /nfs/dbraw/zinc/68/96/01/628689601.db2.gz MKFMHARMMSUTFD-LJISPDSOSA-N 2 1 252.446 3.131 20 0 CGADMP COc1ccc(C[N@@H+](CC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000788469925 629056868 /nfs/dbraw/zinc/05/68/68/629056868.db2.gz JMGXCCLSQIXSTF-UHFFFAOYSA-N 2 1 288.435 3.001 20 0 CGADMP C[Si](C)(C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789352592 629126387 /nfs/dbraw/zinc/12/63/87/629126387.db2.gz JNKCDLUQAFOBGU-UHFFFAOYSA-N 2 1 291.515 3.276 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790056557 629180847 /nfs/dbraw/zinc/18/08/47/629180847.db2.gz UTBAUVMNMXKPSY-INIZCTEOSA-N 2 1 260.425 3.038 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790056557 629180851 /nfs/dbraw/zinc/18/08/51/629180851.db2.gz UTBAUVMNMXKPSY-INIZCTEOSA-N 2 1 260.425 3.038 20 0 CGADMP FC(F)C1CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000793207999 629427496 /nfs/dbraw/zinc/42/74/96/629427496.db2.gz VZRWPLANKDNTPP-QQFBHYJXSA-N 2 1 294.389 3.142 20 0 CGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC000843389664 635656401 /nfs/dbraw/zinc/65/64/01/635656401.db2.gz KQGBBXOSJZAZTA-GXTWGEPZSA-N 2 1 298.352 3.104 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCc4ccccc43)C2)C1 ZINC000815145151 631729507 /nfs/dbraw/zinc/72/95/07/631729507.db2.gz OJSOIOOSWZDSFF-MJGOQNOKSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCc4ccccc43)C2)C1 ZINC000815145151 631729511 /nfs/dbraw/zinc/72/95/11/631729511.db2.gz OJSOIOOSWZDSFF-MJGOQNOKSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCc4ccccc43)C2)C1 ZINC000815145151 631729514 /nfs/dbraw/zinc/72/95/14/631729514.db2.gz OJSOIOOSWZDSFF-MJGOQNOKSA-N 2 1 284.447 3.134 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000879209686 635726521 /nfs/dbraw/zinc/72/65/21/635726521.db2.gz NRFHNSFKWFDKLF-UHFFFAOYSA-N 2 1 294.483 3.332 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817906920 632232615 /nfs/dbraw/zinc/23/26/15/632232615.db2.gz HADWDQKBCUGPMM-RBUKOAKNSA-N 2 1 296.414 3.498 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817929620 632235917 /nfs/dbraw/zinc/23/59/17/632235917.db2.gz IXYSKPGMMMSNGH-KGLIPLIRSA-N 2 1 295.858 3.444 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1(Cl)Cl ZINC000817935249 632238180 /nfs/dbraw/zinc/23/81/80/632238180.db2.gz AVRQROWKPZYPGB-JHJVBQTASA-N 2 1 285.218 3.305 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc2c(c1)CCCO2 ZINC000817958393 632253514 /nfs/dbraw/zinc/25/35/14/632253514.db2.gz JFPQNCCJRRRFMP-JKSUJKDBSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1C(F)(F)F ZINC000865800603 632893370 /nfs/dbraw/zinc/89/33/70/632893370.db2.gz KTWKNWZQGRBXAA-NEPJUHHUSA-N 2 1 299.340 3.163 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc2c(ccnc2Cl)o1 ZINC000866250333 633045699 /nfs/dbraw/zinc/04/56/99/633045699.db2.gz YNELVDOMUWAVMQ-WDEREUQCSA-N 2 1 295.814 3.472 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866258765 633048071 /nfs/dbraw/zinc/04/80/71/633048071.db2.gz AKJZUAMJIUMZST-HOTGVXAUSA-N 2 1 285.435 3.357 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCc2ccsc2)C1 ZINC000866707400 633234005 /nfs/dbraw/zinc/23/40/05/633234005.db2.gz NSXDWYMKDKAZAH-INIZCTEOSA-N 2 1 280.481 3.378 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000866706596 633234867 /nfs/dbraw/zinc/23/48/67/633234867.db2.gz IVKYHCWPRRVNOZ-SFHVURJKSA-N 2 1 296.499 3.280 20 0 CGADMP Cc1cncc([C@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000866720005 633235855 /nfs/dbraw/zinc/23/58/55/633235855.db2.gz GKZANCMROXYMQM-MRXNPFEDSA-N 2 1 261.413 3.046 20 0 CGADMP COCc1cccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866708968 633236102 /nfs/dbraw/zinc/23/61/02/633236102.db2.gz UCVSHQHKHSECSO-GOSISDBHSA-N 2 1 290.451 3.030 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)C[C@@]2(C)CC2(Cl)Cl)C[C@@H]1C ZINC000827973119 633542831 /nfs/dbraw/zinc/54/28/31/633542831.db2.gz GMIXQJUCIKGGBT-RWMBFGLXSA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CC2(Cl)Cl)C[C@@H]1C ZINC000827973119 633542840 /nfs/dbraw/zinc/54/28/40/633542840.db2.gz GMIXQJUCIKGGBT-RWMBFGLXSA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CC2(Cl)Cl)C[C@@H]1C ZINC000827973119 633542843 /nfs/dbraw/zinc/54/28/43/633542843.db2.gz GMIXQJUCIKGGBT-RWMBFGLXSA-N 2 1 293.282 3.375 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+]1CCCC1 ZINC000872021197 633942169 /nfs/dbraw/zinc/94/21/69/633942169.db2.gz OKFGHBXOTMCATN-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872031173 633950301 /nfs/dbraw/zinc/95/03/01/633950301.db2.gz GWTAWOJQDLPYJE-RYUDHWBXSA-N 2 1 291.370 3.023 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872040655 633961854 /nfs/dbraw/zinc/96/18/54/633961854.db2.gz ZOJFXTRKGGWTNW-JKSUJKDBSA-N 2 1 293.455 3.155 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(O)ccc1F ZINC000872077431 634000672 /nfs/dbraw/zinc/00/06/72/634000672.db2.gz IGPWTKBMSKAEMJ-LBPRGKRZSA-N 2 1 280.387 3.056 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872082281 634006824 /nfs/dbraw/zinc/00/68/24/634006824.db2.gz TXXDHGFFAPUDNX-JKSUJKDBSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000872086215 634011785 /nfs/dbraw/zinc/01/17/85/634011785.db2.gz SUWIUWDKXCKFQI-BQFCYCMXSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000872086215 634011791 /nfs/dbraw/zinc/01/17/91/634011791.db2.gz SUWIUWDKXCKFQI-BQFCYCMXSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ncccc23)[C@H]2CCC[C@H]21 ZINC000872123692 634046803 /nfs/dbraw/zinc/04/68/03/634046803.db2.gz UQHMDTOAAUXIDB-NZSAHSFTSA-N 2 1 295.430 3.197 20 0 CGADMP COCC[C@H](C)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155976 634065923 /nfs/dbraw/zinc/06/59/23/634065923.db2.gz BTSKDBQYSAWDJG-YQQAZPJKSA-N 2 1 282.472 3.031 20 0 CGADMP CC(C)OCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157627 634067480 /nfs/dbraw/zinc/06/74/80/634067480.db2.gz OGTATETUXWPJIX-RDJZCZTQSA-N 2 1 282.472 3.031 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000872158224 634068801 /nfs/dbraw/zinc/06/88/01/634068801.db2.gz UCVHITWHEVDHMZ-QAPCUYQASA-N 2 1 287.451 3.201 20 0 CGADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)O1 ZINC000872158413 634069148 /nfs/dbraw/zinc/06/91/48/634069148.db2.gz UWYPIBIBGLOLQL-CYGHRXIMSA-N 2 1 294.483 3.174 20 0 CGADMP c1c(C[N@H+]2CC[C@H](C3CCC3)C2)sc2c1C[NH2+]CC2 ZINC000873212917 634286220 /nfs/dbraw/zinc/28/62/20/634286220.db2.gz CNUFKQKWYVEUED-ZDUSSCGKSA-N 2 1 276.449 3.016 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cnc1Cl ZINC000873224062 634290975 /nfs/dbraw/zinc/29/09/75/634290975.db2.gz XCXYRCHKIFOLBD-INIZCTEOSA-N 2 1 295.858 3.240 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cnc1Cl ZINC000873224062 634290980 /nfs/dbraw/zinc/29/09/80/634290980.db2.gz XCXYRCHKIFOLBD-INIZCTEOSA-N 2 1 295.858 3.240 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000873223676 634291389 /nfs/dbraw/zinc/29/13/89/634291389.db2.gz QXBZPQXDPVWRPG-IBGZPJMESA-N 2 1 297.446 3.432 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000873223586 634291988 /nfs/dbraw/zinc/29/19/88/634291988.db2.gz OMDIKPNKYCHBRZ-IBGZPJMESA-N 2 1 297.446 3.432 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1)C1CCCC1 ZINC000873232135 634294690 /nfs/dbraw/zinc/29/46/90/634294690.db2.gz LDOOKYXPTSTTIR-LZLYRXPVSA-N 2 1 294.483 3.033 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000876897848 634924103 /nfs/dbraw/zinc/92/41/03/634924103.db2.gz GTZOLTRDBRBGKS-UHFFFAOYSA-N 2 1 295.858 3.134 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743390 635179799 /nfs/dbraw/zinc/17/97/99/635179799.db2.gz VLUMOIDXUWKFQE-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743390 635179805 /nfs/dbraw/zinc/17/98/05/635179805.db2.gz VLUMOIDXUWKFQE-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743390 635179808 /nfs/dbraw/zinc/17/98/08/635179808.db2.gz VLUMOIDXUWKFQE-NCXUSEDFSA-N 2 1 284.447 3.206 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000878047507 635336482 /nfs/dbraw/zinc/33/64/82/635336482.db2.gz ILAJAKBVCSVMAJ-QGZVFWFLSA-N 2 1 294.483 3.140 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000842473109 635377311 /nfs/dbraw/zinc/37/73/11/635377311.db2.gz PGUDDGPIHIFSIW-MRXNPFEDSA-N 2 1 264.388 3.482 20 0 CGADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCCCCC[NH3+] ZINC000842472343 635377852 /nfs/dbraw/zinc/37/78/52/635377852.db2.gz WZTBMTSIFXCBAV-SJLPKXTDSA-N 2 1 290.451 3.358 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878148882 635380419 /nfs/dbraw/zinc/38/04/19/635380419.db2.gz RVGZFPZKJIDCEL-CABCVRRESA-N 2 1 288.426 3.476 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159814 635384769 /nfs/dbraw/zinc/38/47/69/635384769.db2.gz WSRCBKZVIQUCPM-HZPDHXFCSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159814 635384774 /nfs/dbraw/zinc/38/47/74/635384774.db2.gz WSRCBKZVIQUCPM-HZPDHXFCSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159814 635384779 /nfs/dbraw/zinc/38/47/79/635384779.db2.gz WSRCBKZVIQUCPM-HZPDHXFCSA-N 2 1 296.499 3.244 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000878162733 635387085 /nfs/dbraw/zinc/38/70/85/635387085.db2.gz IWNRLPXZXWVDCX-PMPSAXMXSA-N 2 1 296.499 3.385 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000878162733 635387093 /nfs/dbraw/zinc/38/70/93/635387093.db2.gz IWNRLPXZXWVDCX-PMPSAXMXSA-N 2 1 296.499 3.385 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000878162733 635387102 /nfs/dbraw/zinc/38/71/02/635387102.db2.gz IWNRLPXZXWVDCX-PMPSAXMXSA-N 2 1 296.499 3.385 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878166736 635391313 /nfs/dbraw/zinc/39/13/13/635391313.db2.gz DJSDKOKJSAFDBZ-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878166736 635391318 /nfs/dbraw/zinc/39/13/18/635391318.db2.gz DJSDKOKJSAFDBZ-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878166736 635391319 /nfs/dbraw/zinc/39/13/19/635391319.db2.gz DJSDKOKJSAFDBZ-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP Cc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)nc1Cl ZINC000878253463 635434054 /nfs/dbraw/zinc/43/40/54/635434054.db2.gz NVPRSDZPNIJUAK-GFCCVEGCSA-N 2 1 290.798 3.146 20 0 CGADMP C[N@@H+](C[C@@H]1CCCC(C)(C)C1)C1CCC([NH3+])CC1 ZINC000843055459 635553338 /nfs/dbraw/zinc/55/33/38/635553338.db2.gz CKTJNHPJWFVEFI-WLYUNCDWSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@@H]1c2sccc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000880377157 635988775 /nfs/dbraw/zinc/98/87/75/635988775.db2.gz PQPISEJTUUXINJ-TZMCWYRMSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2sccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000880377157 635988781 /nfs/dbraw/zinc/98/87/81/635988781.db2.gz PQPISEJTUUXINJ-TZMCWYRMSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2sccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000880377157 635988787 /nfs/dbraw/zinc/98/87/87/635988787.db2.gz PQPISEJTUUXINJ-TZMCWYRMSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@@H]1c2sccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000880377157 635988792 /nfs/dbraw/zinc/98/87/92/635988792.db2.gz PQPISEJTUUXINJ-TZMCWYRMSA-N 2 1 264.438 3.152 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccsc2[C@H]1C ZINC000880377494 635989717 /nfs/dbraw/zinc/98/97/17/635989717.db2.gz XNHOINAYLYYCMQ-GFCCVEGCSA-N 2 1 275.421 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccsc2[C@H]1C ZINC000880377494 635989718 /nfs/dbraw/zinc/98/97/18/635989718.db2.gz XNHOINAYLYYCMQ-GFCCVEGCSA-N 2 1 275.421 3.262 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(Cl)nc1 ZINC000880517346 636013349 /nfs/dbraw/zinc/01/33/49/636013349.db2.gz NPUDIDYNPIJBFS-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP C[N@H+](CCCCCC[NH3+])Cc1nc(C(F)(F)F)cs1 ZINC000846219240 636162497 /nfs/dbraw/zinc/16/24/97/636162497.db2.gz MFJIPXYCVCNICZ-UHFFFAOYSA-N 2 1 295.374 3.113 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(C(F)(F)F)cs1 ZINC000846219240 636162501 /nfs/dbraw/zinc/16/25/01/636162501.db2.gz MFJIPXYCVCNICZ-UHFFFAOYSA-N 2 1 295.374 3.113 20 0 CGADMP CC[C@@](C)([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000846845609 636258646 /nfs/dbraw/zinc/25/86/46/636258646.db2.gz ZIIPJMPPQVJWIA-QGZVFWFLSA-N 2 1 271.408 3.268 20 0 CGADMP CCCCCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848532420 636592270 /nfs/dbraw/zinc/59/22/70/636592270.db2.gz HWJWRTTUGQFPSS-KRWDZBQOSA-N 2 1 296.499 3.436 20 0 CGADMP CCSc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000883245119 636613610 /nfs/dbraw/zinc/61/36/10/636613610.db2.gz DUGKZGFLTIJSFX-UKRRQHHQSA-N 2 1 278.465 3.371 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCc1c(F)cccc1F ZINC000848599933 636617965 /nfs/dbraw/zinc/61/79/65/636617965.db2.gz SXQDDTZYAIXCQI-AGUYFDCRSA-N 2 1 294.389 3.242 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCc1c(F)cccc1F ZINC000848599933 636617967 /nfs/dbraw/zinc/61/79/67/636617967.db2.gz SXQDDTZYAIXCQI-AGUYFDCRSA-N 2 1 294.389 3.242 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000883273700 636644732 /nfs/dbraw/zinc/64/47/32/636644732.db2.gz QYFNBTYZGMKBHK-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429268 636751753 /nfs/dbraw/zinc/75/17/53/636751753.db2.gz QWZLSJUEJDFFEU-QLFBSQMISA-N 2 1 286.410 3.133 20 0 CGADMP CC1(C)C[C@@H](C[NH2+][C@H](C[NH3+])C2CCCCC2)C(C)(C)O1 ZINC000883430373 636753065 /nfs/dbraw/zinc/75/30/65/636753065.db2.gz UABHKTNFINLIIX-LSDHHAIUSA-N 2 1 282.472 3.077 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883435290 636755431 /nfs/dbraw/zinc/75/54/31/636755431.db2.gz OEVOGGQTTSOFFJ-VDHUWJSZSA-N 2 1 288.435 3.108 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CC[C@H]1CCCC1(F)F ZINC000883441109 636757781 /nfs/dbraw/zinc/75/77/81/636757781.db2.gz HILNTJGBANIJHT-CYBMUJFWSA-N 2 1 262.388 3.263 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883441317 636758186 /nfs/dbraw/zinc/75/81/86/636758186.db2.gz LPQFSGRJAMQOSP-MSOLQXFVSA-N 2 1 290.451 3.358 20 0 CGADMP c1ccc([C@H]2CSCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000883461139 636760749 /nfs/dbraw/zinc/76/07/49/636760749.db2.gz OMKXROJDVFKJJY-NVXWUHKLSA-N 2 1 290.476 3.166 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2ccccc2NC1(C)C ZINC000883464128 636763612 /nfs/dbraw/zinc/76/36/12/636763612.db2.gz GGQJGLPNPRAVKP-MRXNPFEDSA-N 2 1 284.407 3.117 20 0 CGADMP c1csc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134868078 637043724 /nfs/dbraw/zinc/04/37/24/637043724.db2.gz JSMRROUFYFVYNK-PBHICJAKSA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134868078 637043727 /nfs/dbraw/zinc/04/37/27/637043727.db2.gz JSMRROUFYFVYNK-PBHICJAKSA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134868078 637043731 /nfs/dbraw/zinc/04/37/31/637043731.db2.gz JSMRROUFYFVYNK-PBHICJAKSA-N 2 1 290.476 3.239 20 0 CGADMP c1csc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134868078 637043737 /nfs/dbraw/zinc/04/37/37/637043737.db2.gz JSMRROUFYFVYNK-PBHICJAKSA-N 2 1 290.476 3.239 20 0 CGADMP Cc1coc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000885922854 637312678 /nfs/dbraw/zinc/31/26/78/637312678.db2.gz JPLVXYPLUNXYGP-CQSZACIVSA-N 2 1 264.413 3.190 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886033788 637377359 /nfs/dbraw/zinc/37/73/59/637377359.db2.gz YFUAXSLUXIYXQO-QGZVFWFLSA-N 2 1 294.483 3.142 20 0 CGADMP CCc1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)nc1 ZINC000886660975 637638694 /nfs/dbraw/zinc/63/86/94/637638694.db2.gz JEDHCUKDTMKPMV-UHFFFAOYSA-N 2 1 298.434 3.364 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCc3ccccc3)CC2)[nH+]c1C ZINC000886664871 637640413 /nfs/dbraw/zinc/64/04/13/637640413.db2.gz ZNOMIZHWMPULCB-UHFFFAOYSA-N 2 1 283.419 3.449 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2CCC([NH3+])CC2)cc1C ZINC000220323753 637657182 /nfs/dbraw/zinc/65/71/82/637657182.db2.gz QBTGQUVKMIZUHA-UHFFFAOYSA-N 2 1 260.425 3.314 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852751206 637706575 /nfs/dbraw/zinc/70/65/75/637706575.db2.gz SPNBCKKZWPNVLD-GOEBONIOSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000925489153 638227898 /nfs/dbraw/zinc/22/78/98/638227898.db2.gz OPZQITLFHONNNM-DYVFJYSZSA-N 2 1 272.367 3.046 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000924572031 638365408 /nfs/dbraw/zinc/36/54/08/638365408.db2.gz PZTKNGSQDQHNGH-NJAFHUGGSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cccc2c1[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000924593406 638370405 /nfs/dbraw/zinc/37/04/05/638370405.db2.gz XYEVMSVUOLFGMQ-KRWDZBQOSA-N 2 1 270.420 3.199 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924616367 638377028 /nfs/dbraw/zinc/37/70/28/638377028.db2.gz BZGKDDDOXHHDDL-OAHLLOKOSA-N 2 1 292.467 3.295 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924616676 638377151 /nfs/dbraw/zinc/37/71/51/638377151.db2.gz FMDKRSUBRAUMLM-INIZCTEOSA-N 2 1 291.483 3.129 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924616676 638377155 /nfs/dbraw/zinc/37/71/55/638377155.db2.gz FMDKRSUBRAUMLM-INIZCTEOSA-N 3 1 291.483 3.129 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924616676 638377157 /nfs/dbraw/zinc/37/71/57/638377157.db2.gz FMDKRSUBRAUMLM-INIZCTEOSA-N 3 1 291.483 3.129 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000924685393 638388747 /nfs/dbraw/zinc/38/87/47/638388747.db2.gz IPAPKGSKQZZABU-SJORKVTESA-N 2 1 289.467 3.257 20 0 CGADMP C[N@H+](CC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C1CCCCC1 ZINC000924803509 638407358 /nfs/dbraw/zinc/40/73/58/638407358.db2.gz SILPVSWGBYLSAD-SJLPKXTDSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C1CCCCC1 ZINC000924803509 638407362 /nfs/dbraw/zinc/40/73/62/638407362.db2.gz SILPVSWGBYLSAD-SJLPKXTDSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC000925012380 638437209 /nfs/dbraw/zinc/43/72/09/638437209.db2.gz VBTBWCOWZMENAP-UQPPLGOBSA-N 2 1 290.476 3.241 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000925588272 638538052 /nfs/dbraw/zinc/53/80/52/638538052.db2.gz PHQKMJUMQHWKJV-KBPBESRZSA-N 2 1 272.864 3.104 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925640568 638553804 /nfs/dbraw/zinc/55/38/04/638553804.db2.gz SKVUHSTZNJHOFB-KRWDZBQOSA-N 2 1 284.403 3.158 20 0 CGADMP c1c2ccccc2sc1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925675392 638566133 /nfs/dbraw/zinc/56/61/33/638566133.db2.gz FFADZPPFUXSHBN-AIGAYMNCSA-N 2 1 298.455 3.030 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857847820 638576222 /nfs/dbraw/zinc/57/62/22/638576222.db2.gz ZCDJXPBWXQFIMY-ZBFHGGJFSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847820 638576228 /nfs/dbraw/zinc/57/62/28/638576228.db2.gz ZCDJXPBWXQFIMY-ZBFHGGJFSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857847820 638576248 /nfs/dbraw/zinc/57/62/48/638576248.db2.gz ZCDJXPBWXQFIMY-ZBFHGGJFSA-N 2 1 290.455 3.031 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1F ZINC000925723113 638582977 /nfs/dbraw/zinc/58/29/77/638582977.db2.gz RYDGBKUCKWMUCY-GDBMZVCRSA-N 2 1 294.389 3.223 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917196 638604161 /nfs/dbraw/zinc/60/41/61/638604161.db2.gz WPMVDGPIBYYOOK-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)ccc1OC ZINC000925793621 638615978 /nfs/dbraw/zinc/61/59/78/638615978.db2.gz ZIZUBFPSOWKRED-XUJVJEKNSA-N 2 1 296.842 3.245 20 0 CGADMP CC1(C)C[C@@H]([NH2+]Cc2nc3c(s2)CCCC3)C[C@@H]([NH3+])C1 ZINC000925834059 638627240 /nfs/dbraw/zinc/62/72/40/638627240.db2.gz VGCHFMRASKGDAK-NEPJUHHUSA-N 2 1 293.480 3.018 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844081 638631627 /nfs/dbraw/zinc/63/16/27/638631627.db2.gz VNCGZUKKVXDKOL-ZTFGCOKTSA-N 2 1 288.435 3.186 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000858111741 638632620 /nfs/dbraw/zinc/63/26/20/638632620.db2.gz RDLSTIAFHNPMAU-CJNGLKHVSA-N 2 1 278.415 3.392 20 0 CGADMP Fc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000858148066 638643008 /nfs/dbraw/zinc/64/30/08/638643008.db2.gz JZXRJEZEEITXFU-UHFFFAOYSA-N 2 1 291.414 3.107 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926330016 638763497 /nfs/dbraw/zinc/76/34/97/638763497.db2.gz JOLNKSKOWUQOFE-JFIYKMOQSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cccc(C[NH+](C)C)c1 ZINC000926534168 638782346 /nfs/dbraw/zinc/78/23/46/638782346.db2.gz XMHHUZDGJUNXHG-GRDNDAEWSA-N 2 1 298.434 3.301 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(F)(F)c1ccccc1 ZINC000926665555 638796295 /nfs/dbraw/zinc/79/62/95/638796295.db2.gz HBJDDMXTKXEVMW-KCQAQPDRSA-N 2 1 282.378 3.097 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737913 638805460 /nfs/dbraw/zinc/80/54/60/638805460.db2.gz HNKWCFFTXLWMOW-FMKPAKJESA-N 2 1 264.457 3.133 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000927035103 638834202 /nfs/dbraw/zinc/83/42/02/638834202.db2.gz FHDPJQALRABCBA-LVQVYYBASA-N 2 1 294.508 3.267 20 0 CGADMP COC/C(C)=C\C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000929421883 638924215 /nfs/dbraw/zinc/92/42/15/638924215.db2.gz NWUVCGSNZNFBHI-QGEBHBTGSA-N 2 1 294.483 3.023 20 0 CGADMP COC/C(C)=C\C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000929421883 638924218 /nfs/dbraw/zinc/92/42/18/638924218.db2.gz NWUVCGSNZNFBHI-QGEBHBTGSA-N 2 1 294.483 3.023 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccc(F)nc2)CC1 ZINC000929505689 638929413 /nfs/dbraw/zinc/92/94/13/638929413.db2.gz JBCDTXBXQJKZSG-CQSZACIVSA-N 2 1 293.430 3.334 20 0 CGADMP FCc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929694531 638941795 /nfs/dbraw/zinc/94/17/95/638941795.db2.gz BIRIGUAJACRANH-HNNXBMFYSA-N 2 1 276.399 3.074 20 0 CGADMP FCc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929694531 638941797 /nfs/dbraw/zinc/94/17/97/638941797.db2.gz BIRIGUAJACRANH-HNNXBMFYSA-N 2 1 276.399 3.074 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)[nH]1 ZINC000929785516 638950909 /nfs/dbraw/zinc/95/09/09/638950909.db2.gz AYCYCTUSXPDDFV-BZNIZROVSA-N 2 1 255.365 3.220 20 0 CGADMP Cc1nc(C)c(CN2C[C@@H](C)[C@H]2c2ccccc2)[nH]1 ZINC000929785516 638950911 /nfs/dbraw/zinc/95/09/11/638950911.db2.gz AYCYCTUSXPDDFV-BZNIZROVSA-N 2 1 255.365 3.220 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(C)(F)F)C1 ZINC000929781194 638951114 /nfs/dbraw/zinc/95/11/14/638951114.db2.gz UFTPULQMUIIZNC-ZDUSSCGKSA-N 2 1 262.388 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC(C)(F)F)C1 ZINC000929781194 638951117 /nfs/dbraw/zinc/95/11/17/638951117.db2.gz UFTPULQMUIIZNC-ZDUSSCGKSA-N 2 1 262.388 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000929781194 638951119 /nfs/dbraw/zinc/95/11/19/638951119.db2.gz UFTPULQMUIIZNC-ZDUSSCGKSA-N 2 1 262.388 3.086 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(F)c2)[C@H](C)C1 ZINC000930001236 638967475 /nfs/dbraw/zinc/96/74/75/638967475.db2.gz SGNYKQNSWWPIMY-RHSMWYFYSA-N 2 1 278.415 3.030 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2CF)[C@H](C)C1 ZINC000930001445 638967519 /nfs/dbraw/zinc/96/75/19/638967519.db2.gz VDNVOBYICUKWLI-RHSMWYFYSA-N 2 1 278.415 3.318 20 0 CGADMP CO[C@H](CC(C)C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212434 639110388 /nfs/dbraw/zinc/11/03/88/639110388.db2.gz JUFYNVFSCLMKMD-GOSISDBHSA-N 2 1 292.467 3.241 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CCCc3cccc(F)c3)C[C@]2(C)C1 ZINC000931311845 639133451 /nfs/dbraw/zinc/13/34/51/639133451.db2.gz QEKQEEVKTRHUBH-ROUUACIJSA-N 2 1 290.426 3.032 20 0 CGADMP Nc1cc[nH+]c2c1C[N@@H+]([C@H]1CCCc3ccccc31)CC2 ZINC000931511926 639162666 /nfs/dbraw/zinc/16/26/66/639162666.db2.gz DFNYTNJPOKCZNT-SFHVURJKSA-N 2 1 279.387 3.100 20 0 CGADMP Nc1cc[nH+]c2c1C[N@H+]([C@H]1CCCc3ccccc31)CC2 ZINC000931511926 639162672 /nfs/dbraw/zinc/16/26/72/639162672.db2.gz DFNYTNJPOKCZNT-SFHVURJKSA-N 2 1 279.387 3.100 20 0 CGADMP C[C@@H](c1ccc(F)nc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000931702267 639192807 /nfs/dbraw/zinc/19/28/07/639192807.db2.gz AHCIPUQLCMXFJV-HNNXBMFYSA-N 2 1 293.430 3.480 20 0 CGADMP C[NH2+]C[C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000040601886 639895437 /nfs/dbraw/zinc/89/54/37/639895437.db2.gz VABOEFFITOQVJW-GFCCVEGCSA-N 2 1 289.810 3.324 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091540827 640715780 /nfs/dbraw/zinc/71/57/80/640715780.db2.gz ZXUMTDJGSSRXOC-JMSVASOKSA-N 2 1 266.816 3.460 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)o1 ZINC000092066765 640730887 /nfs/dbraw/zinc/73/08/87/640730887.db2.gz ZKMINNCMYRHKBS-CRAIPNDOSA-N 2 1 288.435 3.345 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)o1 ZINC000092066765 640730889 /nfs/dbraw/zinc/73/08/89/640730889.db2.gz ZKMINNCMYRHKBS-CRAIPNDOSA-N 2 1 288.435 3.345 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CCC(C[NH+](C)C)CC3)c12 ZINC001165042754 721950062 /nfs/dbraw/zinc/95/00/62/721950062.db2.gz QXTHOLDUVKBQGS-UHFFFAOYSA-N 2 1 283.419 3.321 20 0 CGADMP COc1ccc2c(cc[nH+]c2NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001156377941 805679932 /nfs/dbraw/zinc/67/99/32/805679932.db2.gz HKBNZFOSPMAXML-CQSZACIVSA-N 2 1 299.418 3.387 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2nccc3ccccc32)C1 ZINC001156381981 805681830 /nfs/dbraw/zinc/68/18/30/805681830.db2.gz YRFHJIJLPIYGMQ-AWEZNQCLSA-N 2 1 269.392 3.379 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C(C)(C)c2ccnc(Cl)c2)C1 ZINC001156386574 805683322 /nfs/dbraw/zinc/68/33/22/805683322.db2.gz YFXJWHMUPPUAHL-CYBMUJFWSA-N 2 1 295.858 3.292 20 0 CGADMP CCOc1cc[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001156928544 805754204 /nfs/dbraw/zinc/75/42/04/805754204.db2.gz LVKCDZWVMJVXLY-AWEZNQCLSA-N 2 1 277.412 3.157 20 0 CGADMP CCC[N@H+]1C[C@H]2CN(c3[nH+]ccc4cccc(C)c43)C[C@H]2C1 ZINC001157699661 805854620 /nfs/dbraw/zinc/85/46/20/805854620.db2.gz MCQFETVXUOYXCG-CALCHBBNSA-N 2 1 295.430 3.321 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(c3[nH+]ccc4cccc(C)c43)C[C@H]2C1 ZINC001157699661 805854629 /nfs/dbraw/zinc/85/46/29/805854629.db2.gz MCQFETVXUOYXCG-CALCHBBNSA-N 2 1 295.430 3.321 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC001253096693 806166465 /nfs/dbraw/zinc/16/64/65/806166465.db2.gz VJJPJKHPGSKHMP-KSSFIOAISA-N 2 1 288.435 3.004 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cccc(Cl)c1 ZINC001253408741 806216444 /nfs/dbraw/zinc/21/64/44/806216444.db2.gz YQWRZECOUXCZPL-LSDHHAIUSA-N 2 1 298.858 3.130 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(C3CC3)cc[nH+]1)C2 ZINC001160473356 806277320 /nfs/dbraw/zinc/27/73/20/806277320.db2.gz WQNMAYUILOVDJC-PHZGNYQRSA-N 2 1 271.408 3.386 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(C3CC3)cc[nH+]1)C2 ZINC001160473356 806277325 /nfs/dbraw/zinc/27/73/25/806277325.db2.gz WQNMAYUILOVDJC-PHZGNYQRSA-N 2 1 271.408 3.386 20 0 CGADMP Cc1c[nH+]c(N(Cc2ccccc2)C[C@@H](C)C[NH3+])c(C)c1 ZINC001160661444 806292736 /nfs/dbraw/zinc/29/27/36/806292736.db2.gz GWCCISAUOVVNEL-HNNXBMFYSA-N 2 1 283.419 3.300 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453588 806406171 /nfs/dbraw/zinc/40/61/71/806406171.db2.gz JWRRHKMZCIVYOY-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453588 806406177 /nfs/dbraw/zinc/40/61/77/806406177.db2.gz JWRRHKMZCIVYOY-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453588 806406180 /nfs/dbraw/zinc/40/61/80/806406180.db2.gz JWRRHKMZCIVYOY-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC001254500023 806421755 /nfs/dbraw/zinc/42/17/55/806421755.db2.gz SLQJLQSFGVUPLW-GFCCVEGCSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC001254500023 806421760 /nfs/dbraw/zinc/42/17/60/806421760.db2.gz SLQJLQSFGVUPLW-GFCCVEGCSA-N 2 1 270.779 3.053 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1Cl ZINC001254500511 806421771 /nfs/dbraw/zinc/42/17/71/806421771.db2.gz IYDAGVZULXPVFQ-CQSZACIVSA-N 2 1 266.816 3.222 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC1 ZINC001254510977 806429651 /nfs/dbraw/zinc/42/96/51/806429651.db2.gz SOXADSCTNWSVFP-MRXNPFEDSA-N 2 1 276.399 3.279 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC001254507750 806427161 /nfs/dbraw/zinc/42/71/61/806427161.db2.gz CWCSNOQGRNEVQT-QGZVFWFLSA-N 2 1 258.409 3.138 20 0 CGADMP CCCCC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254519062 806436980 /nfs/dbraw/zinc/43/69/80/806436980.db2.gz GIVMHTDUXUEFGM-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254524370 806438744 /nfs/dbraw/zinc/43/87/44/806438744.db2.gz BBYPSSGYPISNOW-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254524370 806438751 /nfs/dbraw/zinc/43/87/51/806438751.db2.gz BBYPSSGYPISNOW-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254524370 806438759 /nfs/dbraw/zinc/43/87/59/806438759.db2.gz BBYPSSGYPISNOW-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(C2)CCCCC3)CC1 ZINC001254533012 806445326 /nfs/dbraw/zinc/44/53/26/806445326.db2.gz IHARPLVGAJHYSC-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC001254533012 806445329 /nfs/dbraw/zinc/44/53/29/806445329.db2.gz IHARPLVGAJHYSC-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001254533012 806445332 /nfs/dbraw/zinc/44/53/32/806445332.db2.gz IHARPLVGAJHYSC-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]ccc3c4c([nH]c32)CCCC4)C1 ZINC001162391212 806574064 /nfs/dbraw/zinc/57/40/64/806574064.db2.gz ANECKUUDAJRAPR-NWDGAFQWSA-N 2 1 284.407 3.124 20 0 CGADMP CC(C)(C)C[N@@H+]([C@H]1CCSC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255275379 806590070 /nfs/dbraw/zinc/59/00/70/806590070.db2.gz JNDQRHGBGLWTLK-IHRRRGAJSA-N 2 1 270.486 3.110 20 0 CGADMP CCC(CC)[N@@H+]([C@@H]1CCSC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255275643 806590770 /nfs/dbraw/zinc/59/07/70/806590770.db2.gz MEOYNTQLACALRT-BPLDGKMQSA-N 2 1 270.486 3.252 20 0 CGADMP Cc1cc([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)ccc1N(C)C ZINC001162472414 806594294 /nfs/dbraw/zinc/59/42/94/806594294.db2.gz XKVUSZFEDYRLNB-GJZGRUSLSA-N 2 1 275.440 3.109 20 0 CGADMP COc1ccc2cc[nH+]c(NC3CC4(C3)CCC[NH2+]C4)c2c1 ZINC001162982037 806689143 /nfs/dbraw/zinc/68/91/43/806689143.db2.gz JVHFCNSEZIGFOB-UHFFFAOYSA-N 2 1 297.402 3.188 20 0 CGADMP C[C@H](CC(F)(F)F)[NH+]1CCC([NH3+])(CC2CCC2)CC1 ZINC001255642927 806689200 /nfs/dbraw/zinc/68/92/00/806689200.db2.gz ITYKCZVZHIVEAO-LLVKDONJSA-N 2 1 278.362 3.311 20 0 CGADMP CC(C)[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001255668414 806699685 /nfs/dbraw/zinc/69/96/85/806699685.db2.gz KCMKKJULHJRAAZ-MMNRESRNSA-N 2 1 287.451 3.384 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001255666036 806699846 /nfs/dbraw/zinc/69/98/46/806699846.db2.gz PVWFVJSIJFZWCP-NPYXIHBLSA-N 2 1 287.451 3.446 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001255669154 806700259 /nfs/dbraw/zinc/70/02/59/806700259.db2.gz QTRKXCLGKPIQEY-WZYMTQMTSA-N 2 1 273.424 3.056 20 0 CGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001255675195 806702682 /nfs/dbraw/zinc/70/26/82/806702682.db2.gz CYUYVZCSSJQMJB-HQSKLWIPSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001255675195 806702687 /nfs/dbraw/zinc/70/26/87/806702687.db2.gz CYUYVZCSSJQMJB-HQSKLWIPSA-N 2 1 287.451 3.384 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255675767 806702900 /nfs/dbraw/zinc/70/29/00/806702900.db2.gz HHMDTMHXCUHGKM-GNLMYTDNSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255675767 806702903 /nfs/dbraw/zinc/70/29/03/806702903.db2.gz HHMDTMHXCUHGKM-GNLMYTDNSA-N 2 1 250.430 3.026 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255680351 806703486 /nfs/dbraw/zinc/70/34/86/806703486.db2.gz PEKTYXJPJGCNRD-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255680351 806703490 /nfs/dbraw/zinc/70/34/90/806703490.db2.gz PEKTYXJPJGCNRD-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255680351 806703496 /nfs/dbraw/zinc/70/34/96/806703496.db2.gz PEKTYXJPJGCNRD-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255680351 806703499 /nfs/dbraw/zinc/70/34/99/806703499.db2.gz PEKTYXJPJGCNRD-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP C[N@@H+](Cc1cc(Cl)ccc1F)C1CCC([NH3+])CC1 ZINC000157106225 799067649 /nfs/dbraw/zinc/06/76/49/799067649.db2.gz KEFXEHBCNQVHCX-UHFFFAOYSA-N 2 1 270.779 3.181 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)CSc1ccc(F)cc1 ZINC001255734458 806725798 /nfs/dbraw/zinc/72/57/98/806725798.db2.gz XHZRDSQRHNXCAE-CYBMUJFWSA-N 2 1 284.444 3.366 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000300412940 799204495 /nfs/dbraw/zinc/20/44/95/799204495.db2.gz XAQFVCDURBBWNU-XJKCOSOUSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000300412940 799204499 /nfs/dbraw/zinc/20/44/99/799204499.db2.gz XAQFVCDURBBWNU-XJKCOSOUSA-N 2 1 280.843 3.201 20 0 CGADMP Cc1cc(NCC[C@H]2CCC[NH2+]2)[nH+]c2ccccc12 ZINC000312011746 799226661 /nfs/dbraw/zinc/22/66/61/799226661.db2.gz UHBUZXMZJFMRTG-CYBMUJFWSA-N 2 1 255.365 3.097 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000381316930 799376522 /nfs/dbraw/zinc/37/65/22/799376522.db2.gz FECXZQVSMWMOGS-KNIAUWFNSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000381316930 799376528 /nfs/dbraw/zinc/37/65/28/799376528.db2.gz FECXZQVSMWMOGS-KNIAUWFNSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](Nc2ccc3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001163362382 806747439 /nfs/dbraw/zinc/74/74/39/806747439.db2.gz MZAFFSOOUKKTNY-ZBFHGGJFSA-N 2 1 287.451 3.491 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2ccc3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001163362382 806747443 /nfs/dbraw/zinc/74/74/43/806747443.db2.gz MZAFFSOOUKKTNY-ZBFHGGJFSA-N 2 1 287.451 3.491 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000386485553 799437147 /nfs/dbraw/zinc/43/71/47/799437147.db2.gz WTFGATOYQBZTFZ-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000386485553 799437150 /nfs/dbraw/zinc/43/71/50/799437150.db2.gz WTFGATOYQBZTFZ-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+]CC2(C)CCC2)([NH+](C)C)C1 ZINC000386751319 799439827 /nfs/dbraw/zinc/43/98/27/799439827.db2.gz FJDNRMCMHJLXFS-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]cc1 ZINC000390966161 799477194 /nfs/dbraw/zinc/47/71/94/799477194.db2.gz PFBDIJZSEKLJDC-GOSISDBHSA-N 2 1 295.430 3.216 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CCC(C)(C)C ZINC000399894409 799542856 /nfs/dbraw/zinc/54/28/56/799542856.db2.gz PYDGOOYYNSWLFW-GOOCMWNKSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255880181 806781279 /nfs/dbraw/zinc/78/12/79/806781279.db2.gz QPFRNZRVNCSIPO-HNNXBMFYSA-N 2 1 280.431 3.420 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697088014 799843283 /nfs/dbraw/zinc/84/32/83/799843283.db2.gz RSIODRYGUCDQDX-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699312505 799859917 /nfs/dbraw/zinc/85/99/17/799859917.db2.gz RWHGJCMETMVNAR-WVMKXHBISA-N 2 1 290.373 3.180 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000700815378 799880274 /nfs/dbraw/zinc/88/02/74/799880274.db2.gz FSNDVLAXVKNKIQ-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000705220171 799946009 /nfs/dbraw/zinc/94/60/09/799946009.db2.gz XNZVSGDJSNMUCQ-NXHRZFHOSA-N 2 1 272.436 3.144 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001255944165 806791152 /nfs/dbraw/zinc/79/11/52/806791152.db2.gz SEFMUUAUFXFCCT-KURKYZTESA-N 3 1 297.531 3.064 20 0 CGADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](CC)CC)c1cccnc1 ZINC001255947949 806794447 /nfs/dbraw/zinc/79/44/47/806794447.db2.gz ZMZHVBNKYZWCBV-GDBMZVCRSA-N 2 1 263.429 3.243 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1nccc2ccccc21 ZINC001255946715 806793117 /nfs/dbraw/zinc/79/31/17/806793117.db2.gz XXVUAHDQRPQPTA-HNNXBMFYSA-N 2 1 285.435 3.445 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C(C)=O)cc1 ZINC001255946539 806793145 /nfs/dbraw/zinc/79/31/45/806793145.db2.gz ARZLXUHXLSQSAG-CQSZACIVSA-N 2 1 276.424 3.099 20 0 CGADMP CC1(C[N@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000708850453 799997746 /nfs/dbraw/zinc/99/77/46/799997746.db2.gz PINZKFNEYMKWIW-MRXNPFEDSA-N 2 1 264.457 3.278 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001255957609 806798328 /nfs/dbraw/zinc/79/83/28/806798328.db2.gz SQFNYIVTFMRDTR-QWHCGFSZSA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001255957609 806798333 /nfs/dbraw/zinc/79/83/33/806798333.db2.gz SQFNYIVTFMRDTR-QWHCGFSZSA-N 2 1 280.378 3.176 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCCc2ccncc21 ZINC001255955600 806798372 /nfs/dbraw/zinc/79/83/72/806798372.db2.gz VDEWRMPVLOZCFN-PBHICJAKSA-N 2 1 275.440 3.169 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001255964834 806801672 /nfs/dbraw/zinc/80/16/72/806801672.db2.gz VPZDVKFBIKXIAB-CHWSQXEVSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001255964834 806801680 /nfs/dbraw/zinc/80/16/80/806801680.db2.gz VPZDVKFBIKXIAB-CHWSQXEVSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCc1ccc(F)cc1 ZINC001255964916 806802574 /nfs/dbraw/zinc/80/25/74/806802574.db2.gz WCJGGIGOMKKCIR-OAHLLOKOSA-N 2 1 280.431 3.420 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715489564 800136441 /nfs/dbraw/zinc/13/64/41/800136441.db2.gz DDFMIXWTSQQENH-LSDHHAIUSA-N 2 1 296.842 3.311 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716715513 800178513 /nfs/dbraw/zinc/17/85/13/800178513.db2.gz CIUNHLPCHVDAMN-RFZNHBKKSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716720975 800179485 /nfs/dbraw/zinc/17/94/85/800179485.db2.gz ZDMHTRKGAJWCDY-CBVHJVASSA-N 2 1 284.447 3.428 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256071679 806811598 /nfs/dbraw/zinc/81/15/98/806811598.db2.gz KPYVSPBXYCPDEI-SFHVURJKSA-N 2 1 285.435 3.058 20 0 CGADMP Cc1cccc(C(C)(C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256072484 806811738 /nfs/dbraw/zinc/81/17/38/806811738.db2.gz PBYPXHBVYMYZDW-UHFFFAOYSA-N 2 1 272.436 3.447 20 0 CGADMP CC(C)(Cc1ccccc1F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069580 806811853 /nfs/dbraw/zinc/81/18/53/806811853.db2.gz HKYIUZPTEILFQM-UHFFFAOYSA-N 2 1 290.426 3.363 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C(F)(F)F ZINC000720806184 800267523 /nfs/dbraw/zinc/26/75/23/800267523.db2.gz PERFDWAWISKQGI-QWHCGFSZSA-N 2 1 278.362 3.026 20 0 CGADMP CC1(C)CCC(N2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC000721524659 800292184 /nfs/dbraw/zinc/29/21/84/800292184.db2.gz QEIVERTVJZCCBM-QGZVFWFLSA-N 2 1 272.436 3.341 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C1CCCC1 ZINC000721617098 800297346 /nfs/dbraw/zinc/29/73/46/800297346.db2.gz GRKDYELTFCJVPE-ZBFHGGJFSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C1CCCC1 ZINC000721617098 800297353 /nfs/dbraw/zinc/29/73/53/800297353.db2.gz GRKDYELTFCJVPE-ZBFHGGJFSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723671020 800336434 /nfs/dbraw/zinc/33/64/34/800336434.db2.gz XVHHBPKOCIABOE-VXGBXAGGSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723692163 800338431 /nfs/dbraw/zinc/33/84/31/800338431.db2.gz XWALTEKCYHYIFF-GHMZBOCLSA-N 2 1 270.779 3.211 20 0 CGADMP COc1cccc(C[C@H](C)[N@H+](CC[NH3+])Cc2ccccc2)c1 ZINC001256143922 806833282 /nfs/dbraw/zinc/83/32/82/806833282.db2.gz JREQAVPYFCNPSR-INIZCTEOSA-N 2 1 298.430 3.087 20 0 CGADMP COc1cccc(C[C@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)c1 ZINC001256143922 806833291 /nfs/dbraw/zinc/83/32/91/806833291.db2.gz JREQAVPYFCNPSR-INIZCTEOSA-N 2 1 298.430 3.087 20 0 CGADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001256149088 806836012 /nfs/dbraw/zinc/83/60/12/806836012.db2.gz LNKJQFUDHKYOLS-WBAXXEDZSA-N 2 1 290.451 3.089 20 0 CGADMP CC(C)(F)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886644923 800547237 /nfs/dbraw/zinc/54/72/37/800547237.db2.gz NYEGCQHTZBJXGP-BBWFWOEESA-N 2 1 290.426 3.377 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001256358568 806865857 /nfs/dbraw/zinc/86/58/57/806865857.db2.gz UNLQIQFBUNGTGC-OAHLLOKOSA-N 3 1 285.520 3.286 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001256565487 806916068 /nfs/dbraw/zinc/91/60/68/806916068.db2.gz BPPRYIDVWRKBES-INIZCTEOSA-N 2 1 295.515 3.090 20 0 CGADMP CC(C)(C)N1CCC([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001256565487 806916072 /nfs/dbraw/zinc/91/60/72/806916072.db2.gz BPPRYIDVWRKBES-INIZCTEOSA-N 2 1 295.515 3.090 20 0 CGADMP CC(C)(C)N1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001256565487 806916079 /nfs/dbraw/zinc/91/60/79/806916079.db2.gz BPPRYIDVWRKBES-INIZCTEOSA-N 2 1 295.515 3.090 20 0 CGADMP C[C@@H]1CCCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256569667 806919799 /nfs/dbraw/zinc/91/97/99/806919799.db2.gz MWLNWPXVHGWWOT-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ncccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001256620665 806928773 /nfs/dbraw/zinc/92/87/73/806928773.db2.gz CEXZWWOEVBQRMP-YCXXCVGLSA-N 2 1 285.435 3.056 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001116293969 802326677 /nfs/dbraw/zinc/32/66/77/802326677.db2.gz NLWHZIGTAXBARC-WBAXXEDZSA-N 2 1 290.451 3.089 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001116430572 802347096 /nfs/dbraw/zinc/34/70/96/802347096.db2.gz DWAZNRXMEWGPDL-QGZVFWFLSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001116430572 802347105 /nfs/dbraw/zinc/34/71/05/802347105.db2.gz DWAZNRXMEWGPDL-QGZVFWFLSA-N 2 1 287.382 3.340 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC001116488385 802363124 /nfs/dbraw/zinc/36/31/24/802363124.db2.gz RBIUTRYEXMLUSK-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172846177 808459064 /nfs/dbraw/zinc/45/90/64/808459064.db2.gz SDTYKCCXTTXJDZ-STQMWFEESA-N 2 1 298.833 3.484 20 0 CGADMP CCC1CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001256875652 806998882 /nfs/dbraw/zinc/99/88/82/806998882.db2.gz DEZKZAXKNSZBLE-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP [NH3+]Cc1c(F)cccc1N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896802 806999838 /nfs/dbraw/zinc/99/98/38/806999838.db2.gz FFESBJWYKSMYRX-ZDUSSCGKSA-N 2 1 291.414 3.103 20 0 CGADMP FC1(F)CC[C@@H](C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256894487 807001254 /nfs/dbraw/zinc/00/12/54/807001254.db2.gz KSEUBSRHIFEYCQ-KGLIPLIRSA-N 2 1 286.410 3.418 20 0 CGADMP FC1(F)CC[C@@H](C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256894487 807001261 /nfs/dbraw/zinc/00/12/61/807001261.db2.gz KSEUBSRHIFEYCQ-KGLIPLIRSA-N 2 1 286.410 3.418 20 0 CGADMP [NH3+][C@@H]1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC001256901732 807004585 /nfs/dbraw/zinc/00/45/85/807004585.db2.gz JOTVCHAISPFJHJ-FUHWJXTLSA-N 2 1 299.462 3.304 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256904145 807005364 /nfs/dbraw/zinc/00/53/64/807005364.db2.gz CVIXZCZONHKRBI-IBGZPJMESA-N 2 1 298.474 3.398 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256904145 807005368 /nfs/dbraw/zinc/00/53/68/807005368.db2.gz CVIXZCZONHKRBI-IBGZPJMESA-N 2 1 298.474 3.398 20 0 CGADMP Cc1csc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205306751 812945733 /nfs/dbraw/zinc/94/57/33/812945733.db2.gz ZPTUVZPNTDKANV-MWLCHTKSSA-N 2 1 272.845 3.127 20 0 CGADMP Cc1csc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205306751 812945734 /nfs/dbraw/zinc/94/57/34/812945734.db2.gz ZPTUVZPNTDKANV-MWLCHTKSSA-N 2 1 272.845 3.127 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001205280571 812928307 /nfs/dbraw/zinc/92/83/07/812928307.db2.gz COBUGDLWEVQBOH-KRWDZBQOSA-N 2 1 287.382 3.077 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2-n2cccc2)CC1 ZINC001205280838 812928321 /nfs/dbraw/zinc/92/83/21/812928321.db2.gz JYDPQPMZTTWZJO-SFHVURJKSA-N 2 1 283.419 3.181 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205280515 812928559 /nfs/dbraw/zinc/92/85/59/812928559.db2.gz BCJMEBRGGAYXBZ-GOSISDBHSA-N 2 1 290.451 3.486 20 0 CGADMP CC(C)Oc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1F ZINC001206812246 813444030 /nfs/dbraw/zinc/44/40/30/813444030.db2.gz YRWQESSCEKOUMY-HIFRSBDPSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1F ZINC001206812246 813444036 /nfs/dbraw/zinc/44/40/36/813444036.db2.gz YRWQESSCEKOUMY-HIFRSBDPSA-N 2 1 294.414 3.172 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206807376 813443418 /nfs/dbraw/zinc/44/34/18/813443418.db2.gz IPGCPKFGXCBKHG-ZIAGYGMSSA-N 2 1 294.414 3.174 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206807376 813443422 /nfs/dbraw/zinc/44/34/22/813443422.db2.gz IPGCPKFGXCBKHG-ZIAGYGMSSA-N 2 1 294.414 3.174 20 0 CGADMP C[NH2+]Cc1cccc(-c2[nH+]c(C)cc3[nH]ccc32)c1F ZINC001244857009 803550953 /nfs/dbraw/zinc/55/09/53/803550953.db2.gz HMOVVPYTVWFSFZ-UHFFFAOYSA-N 2 1 269.323 3.397 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2C1 ZINC001137178861 803695019 /nfs/dbraw/zinc/69/50/19/803695019.db2.gz CGXPYVUPBLNSAS-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2C1 ZINC001137178861 803695021 /nfs/dbraw/zinc/69/50/21/803695021.db2.gz CGXPYVUPBLNSAS-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]2C1 ZINC001137178861 803695024 /nfs/dbraw/zinc/69/50/24/803695024.db2.gz CGXPYVUPBLNSAS-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccn1 ZINC001137413095 803729936 /nfs/dbraw/zinc/72/99/36/803729936.db2.gz XHRBQGHZASSCTP-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccn1 ZINC001137413095 803729942 /nfs/dbraw/zinc/72/99/42/803729942.db2.gz XHRBQGHZASSCTP-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)cc(F)c3F)C2)CC1 ZINC001137873390 803791184 /nfs/dbraw/zinc/79/11/84/803791184.db2.gz CIHZUHRVWVZXHZ-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)cc(F)c3F)C2)CC1 ZINC001137873390 803791191 /nfs/dbraw/zinc/79/11/91/803791191.db2.gz CIHZUHRVWVZXHZ-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP Cc1c(F)ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1F ZINC001245691926 803912765 /nfs/dbraw/zinc/91/27/65/803912765.db2.gz LEOGXTMZTJEOSR-UHFFFAOYSA-N 2 1 299.324 3.275 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001138399446 803917740 /nfs/dbraw/zinc/91/77/40/803917740.db2.gz CGLZPKDCWLEDQU-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001138399446 803917745 /nfs/dbraw/zinc/91/77/45/803917745.db2.gz CGLZPKDCWLEDQU-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CC2CCC2)cc1 ZINC001138547735 803964754 /nfs/dbraw/zinc/96/47/54/803964754.db2.gz SJVZWYTWTUWDEH-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CC2CCC2)cc1 ZINC001138547735 803964761 /nfs/dbraw/zinc/96/47/61/803964761.db2.gz SJVZWYTWTUWDEH-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP COc1cc(C)[nH+]cc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC001245909222 804036618 /nfs/dbraw/zinc/03/66/18/804036618.db2.gz JEERVKPDLFFTTP-UHFFFAOYSA-N 2 1 256.349 3.259 20 0 CGADMP C[N@H+](Cc1c[nH]c2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC001138830404 804053750 /nfs/dbraw/zinc/05/37/50/804053750.db2.gz LDLAZDCXGDLUDT-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP C[N@@H+](Cc1c[nH]c2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC001138830404 804053760 /nfs/dbraw/zinc/05/37/60/804053760.db2.gz LDLAZDCXGDLUDT-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP CCCCC[C@H](O)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246031288 804102259 /nfs/dbraw/zinc/10/22/59/804102259.db2.gz POFFSSATFIPWDL-ROUUACIJSA-N 2 1 296.499 3.173 20 0 CGADMP CCCOc1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001139001323 804105190 /nfs/dbraw/zinc/10/51/90/804105190.db2.gz COKIDASGDQMYMW-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246094104 804127158 /nfs/dbraw/zinc/12/71/58/804127158.db2.gz HDMSYLIIZMCRHA-KGLIPLIRSA-N 2 1 282.378 3.365 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001139156384 804142715 /nfs/dbraw/zinc/14/27/15/804142715.db2.gz AWBIBCQZZZDACN-LJQANCHMSA-N 2 1 297.446 3.189 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001139156384 804142725 /nfs/dbraw/zinc/14/27/25/804142725.db2.gz AWBIBCQZZZDACN-LJQANCHMSA-N 2 1 297.446 3.189 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001139156384 804142731 /nfs/dbraw/zinc/14/27/31/804142731.db2.gz AWBIBCQZZZDACN-LJQANCHMSA-N 2 1 297.446 3.189 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1C[NH2+]C[C@@H]1C ZINC001246110895 804143540 /nfs/dbraw/zinc/14/35/40/804143540.db2.gz WDULAWHOGNTMDO-BHDSKKPTSA-N 2 1 287.234 3.122 20 0 CGADMP CCC1CCC([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246116975 804147800 /nfs/dbraw/zinc/14/78/00/804147800.db2.gz YBLRSBLNRMFCCW-YMAMQOFZSA-N 2 1 256.409 3.027 20 0 CGADMP CCCC1CCC([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246117014 804148563 /nfs/dbraw/zinc/14/85/63/804148563.db2.gz YQGHGWOKCWPENH-UYSNPLJNSA-N 2 1 270.436 3.417 20 0 CGADMP CCCCCC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246120614 804151356 /nfs/dbraw/zinc/15/13/56/804151356.db2.gz NUZRWVKFSZABRX-GPANFISMSA-N 2 1 252.446 3.467 20 0 CGADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246131576 804157403 /nfs/dbraw/zinc/15/74/03/804157403.db2.gz ZYTYAWAUXNCNGH-STQMWFEESA-N 2 1 299.245 3.192 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)CN1 ZINC001246161449 804177236 /nfs/dbraw/zinc/17/72/36/804177236.db2.gz YMCFSGVDDSNOSD-WDEREUQCSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)C[NH2+]1 ZINC001246161449 804177243 /nfs/dbraw/zinc/17/72/43/804177243.db2.gz YMCFSGVDDSNOSD-WDEREUQCSA-N 2 1 287.234 3.266 20 0 CGADMP CCCC[N@@H+](CC)CCNC1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246161384 804177400 /nfs/dbraw/zinc/17/74/00/804177400.db2.gz KYYFXZLZNMDGDH-HZPDHXFCSA-N 2 1 283.504 3.007 20 0 CGADMP CCCC[C@H](Cc1ccccc1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001246168592 804182428 /nfs/dbraw/zinc/18/24/28/804182428.db2.gz DYJMOCSABNNIEU-QZTJIDSGSA-N 2 1 292.442 3.469 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246168592 804182432 /nfs/dbraw/zinc/18/24/32/804182432.db2.gz DYJMOCSABNNIEU-QZTJIDSGSA-N 2 1 292.442 3.469 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246174734 804189627 /nfs/dbraw/zinc/18/96/27/804189627.db2.gz DLCKMFSKYZICMP-BXUZGUMPSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)C[NH2+]1 ZINC001246180412 804194034 /nfs/dbraw/zinc/19/40/34/804194034.db2.gz QYBJOGJRHCQBNQ-SWLSCSKDSA-N 2 1 280.843 3.391 20 0 CGADMP CCCC[C@H]1C[C@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC[NH2+]1 ZINC001246185228 804197309 /nfs/dbraw/zinc/19/73/09/804197309.db2.gz BZEIANVLJATEOP-JKSUJKDBSA-N 3 1 295.515 3.278 20 0 CGADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246186856 804198030 /nfs/dbraw/zinc/19/80/30/804198030.db2.gz IJIDALSSRSERNU-CHWSQXEVSA-N 2 1 299.245 3.192 20 0 CGADMP C[C@]1([NH2+]C2CCC(c3ccccc3)CC2)CCC[NH2+]C1 ZINC001246187950 804198587 /nfs/dbraw/zinc/19/85/87/804198587.db2.gz HEGZGLDZNLCJEH-ABHNRTSZSA-N 2 1 272.436 3.445 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[NH2+][C@@H](C)C[NH3+])ccc2c1 ZINC001246198853 804205762 /nfs/dbraw/zinc/20/57/62/804205762.db2.gz GXVBOQOGKRUGHZ-KBPBESRZSA-N 2 1 286.419 3.106 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246218735 804213713 /nfs/dbraw/zinc/21/37/13/804213713.db2.gz CRXDOIYUWWMOOW-MELADBBJSA-N 2 1 276.415 3.426 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC001246221357 804216005 /nfs/dbraw/zinc/21/60/05/804216005.db2.gz NUXHWAVYESMMDK-NFAWXSAZSA-N 2 1 288.426 3.426 20 0 CGADMP CC1(C)CCC([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)CC1 ZINC001246223690 804217355 /nfs/dbraw/zinc/21/73/55/804217355.db2.gz XJGVTEQKKFAYSJ-AWEZNQCLSA-N 2 1 274.399 3.180 20 0 CGADMP CCCC[C@H](CCC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246234953 804226782 /nfs/dbraw/zinc/22/67/82/804226782.db2.gz WUZLZRJBOKLUGT-OLZOCXBDSA-N 2 1 262.388 3.180 20 0 CGADMP CCCCCC[C@H](CCCC)[NH2+]C[C@H]([NH3+])COC ZINC001246242594 804233813 /nfs/dbraw/zinc/23/38/13/804233813.db2.gz ZOVANEZPSWFISO-GJZGRUSLSA-N 2 1 258.450 3.079 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC[NH2+]1 ZINC001246275575 804251341 /nfs/dbraw/zinc/25/13/41/804251341.db2.gz AMMGOHWCUSUFNF-DQYPLSBCSA-N 2 1 294.389 3.318 20 0 CGADMP CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246274481 804251967 /nfs/dbraw/zinc/25/19/67/804251967.db2.gz UYKRIQNMITUQHH-ZNMIVQPWSA-N 2 1 268.445 3.035 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1(C[NH3+])CCCC1 ZINC001246287420 804259559 /nfs/dbraw/zinc/25/95/59/804259559.db2.gz OAPUBNYJRYZZOA-NSHDSACASA-N 2 1 284.806 3.271 20 0 CGADMP [NH3+]CC1([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCCC1 ZINC001246290366 804261723 /nfs/dbraw/zinc/26/17/23/804261723.db2.gz WWPFGIDVONNQIT-OAHLLOKOSA-N 2 1 278.827 3.058 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246318020 804277471 /nfs/dbraw/zinc/27/74/71/804277471.db2.gz OSLNFJIMEOVTNH-QWHCGFSZSA-N 2 1 284.469 3.397 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2cc(F)cc(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246317071 804277656 /nfs/dbraw/zinc/27/76/56/804277656.db2.gz KIIYXBWDRJLPFQ-HUUCEWRRSA-N 2 1 294.414 3.233 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246325434 804282733 /nfs/dbraw/zinc/28/27/33/804282733.db2.gz KKSOAQSSMNXYFD-RANZSIQMSA-N 2 1 272.436 3.300 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246329065 804283751 /nfs/dbraw/zinc/28/37/51/804283751.db2.gz LIMUHHQDMWDTKU-IRXDYDNUSA-N 2 1 274.452 3.376 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246329064 804284306 /nfs/dbraw/zinc/28/43/06/804284306.db2.gz LIMUHHQDMWDTKU-IAGOWNOFSA-N 2 1 274.452 3.376 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246331259 804286009 /nfs/dbraw/zinc/28/60/09/804286009.db2.gz NKJOIMSCDODTJL-SZMVWBNQSA-N 2 1 274.452 3.376 20 0 CGADMP CC[C@H](C)C1CCC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246332777 804287336 /nfs/dbraw/zinc/28/73/36/804287336.db2.gz IGFFOQQOQRWHNF-AOTHYSKPSA-N 2 1 252.446 3.321 20 0 CGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246333041 804287737 /nfs/dbraw/zinc/28/77/37/804287737.db2.gz UDNSXDSJTGRTPR-BBRMVZONSA-N 2 1 292.854 3.175 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC(C)(C)C1 ZINC001246340747 804292955 /nfs/dbraw/zinc/29/29/55/804292955.db2.gz KNXULCLKOGGRQS-XQHKEYJVSA-N 2 1 292.389 3.331 20 0 CGADMP CC[C@@H]1CC([NH2+][C@@H](COC)c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246356505 804301476 /nfs/dbraw/zinc/30/14/76/804301476.db2.gz SZQFGNXIQYGUEE-NUJGCVRESA-N 2 1 290.451 3.273 20 0 CGADMP Cc1ccccc1CC(C)(C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246373382 804309393 /nfs/dbraw/zinc/30/93/93/804309393.db2.gz QPLBDEUWKOWLSV-ZBFHGGJFSA-N 2 1 260.425 3.046 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)C[NH2+]1 ZINC001246385090 804316658 /nfs/dbraw/zinc/31/66/58/804316658.db2.gz BBQBEBUBXQFJFB-BBRMVZONSA-N 2 1 276.399 3.021 20 0 CGADMP Fc1ccccc1[C@H](CC1CCC1)[NH2+]C1CC[NH2+]CC1 ZINC001246407490 804324820 /nfs/dbraw/zinc/32/48/20/804324820.db2.gz SUHSXPFJRTWVQA-KRWDZBQOSA-N 2 1 276.399 3.399 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246413799 804326252 /nfs/dbraw/zinc/32/62/52/804326252.db2.gz QIKWQRUQSDSUCZ-JKSUJKDBSA-N 2 1 284.488 3.482 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246455797 804337496 /nfs/dbraw/zinc/33/74/96/804337496.db2.gz JUPPBVNRMKMHSH-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCCC2CCCCC2)C[NH2+]1 ZINC001246480229 804354464 /nfs/dbraw/zinc/35/44/64/804354464.db2.gz WRCUQMJRLXMNOI-ZBFHGGJFSA-N 2 1 252.446 3.467 20 0 CGADMP C1[C@@H]2[C@H]1C[NH2+]C[C@H]2[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246505274 804365543 /nfs/dbraw/zinc/36/55/43/804365543.db2.gz VKGGHXKIEXJKST-FVQBIDKESA-N 2 1 262.441 3.077 20 0 CGADMP C1[C@H]2C[NH2+]C[C@@H]([NH2+]C3CCC4(CCCCC4)CC3)[C@@H]12 ZINC001246505273 804366028 /nfs/dbraw/zinc/36/60/28/804366028.db2.gz VKGGHXKIEXJKST-CWRNSKLLSA-N 2 1 262.441 3.077 20 0 CGADMP CCC(C)(C)C1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001246506246 804366045 /nfs/dbraw/zinc/36/60/45/804366045.db2.gz YEVRAFOBMZUBQC-NXSPZCGBSA-N 2 1 264.457 3.179 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246517638 804371352 /nfs/dbraw/zinc/37/13/52/804371352.db2.gz ALFQBXGWWXKOQL-IAGOWNOFSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246518995 804371919 /nfs/dbraw/zinc/37/19/19/804371919.db2.gz KREBMBADIIEFIV-QQFBHYJXSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CCc1ccccc1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246519417 804373262 /nfs/dbraw/zinc/37/32/62/804373262.db2.gz NRTHEZMXVWSQTN-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246520158 804373943 /nfs/dbraw/zinc/37/39/43/804373943.db2.gz RBJBZJBEDDKFFB-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246519589 804375011 /nfs/dbraw/zinc/37/50/11/804375011.db2.gz OIBQDSHHNXWGTQ-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@]1([NH3+])CC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246529442 804380709 /nfs/dbraw/zinc/38/07/09/804380709.db2.gz JKUULBZGUUOGIV-HNNXBMFYSA-N 2 1 250.430 3.303 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246528700 804381386 /nfs/dbraw/zinc/38/13/86/804381386.db2.gz ZOECOMJXVKKCPQ-IAGOWNOFSA-N 2 1 260.425 3.203 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246533682 804382665 /nfs/dbraw/zinc/38/26/65/804382665.db2.gz WOWIENIHDRWKPG-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531778 804384716 /nfs/dbraw/zinc/38/47/16/804384716.db2.gz FSFFONZKKCTHTI-DLBZAZTESA-N 2 1 272.436 3.211 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531778 804384720 /nfs/dbraw/zinc/38/47/20/804384720.db2.gz FSFFONZKKCTHTI-DLBZAZTESA-N 2 1 272.436 3.211 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246539430 804388835 /nfs/dbraw/zinc/38/88/35/804388835.db2.gz BQHNAVACGULBGE-HTWSVDAQSA-N 2 1 296.499 3.157 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246543059 804389774 /nfs/dbraw/zinc/38/97/74/804389774.db2.gz SBPWFBJHMOKYBH-RRFJBIMHSA-N 2 1 278.465 3.002 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246542071 804391927 /nfs/dbraw/zinc/39/19/27/804391927.db2.gz VETACSKWZJWNSX-ZHCJQAHYSA-N 2 1 292.467 3.129 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246542071 804391932 /nfs/dbraw/zinc/39/19/32/804391932.db2.gz VETACSKWZJWNSX-ZHCJQAHYSA-N 2 1 292.467 3.129 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246544693 804393016 /nfs/dbraw/zinc/39/30/16/804393016.db2.gz RYDYRBUSHPOTDC-MWQQHZPXSA-N 2 1 258.409 3.134 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@](F)(C[NH3+])CC1)C2 ZINC001246547301 804396672 /nfs/dbraw/zinc/39/66/72/804396672.db2.gz HRYFDWJMMVJXIS-AEFFLSMTSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C[C@@H]1C[NH3+] ZINC001246551336 804399972 /nfs/dbraw/zinc/39/99/72/804399972.db2.gz MAVHWXUNOIROPA-VHDGCEQUSA-N 2 1 292.854 3.114 20 0 CGADMP CC1(C)CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246550244 804400956 /nfs/dbraw/zinc/40/09/56/804400956.db2.gz OALANOWQYLGFDW-OAHLLOKOSA-N 2 1 256.409 3.108 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552397 804402653 /nfs/dbraw/zinc/40/26/53/804402653.db2.gz OGHCSVNBQHVOAE-CJNGLKHVSA-N 2 1 280.843 3.474 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246559722 804407396 /nfs/dbraw/zinc/40/73/96/804407396.db2.gz PPXSYPWEGSHXGA-RDJZCZTQSA-N 2 1 260.425 3.285 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001246559848 804407591 /nfs/dbraw/zinc/40/75/91/804407591.db2.gz FISLJEKHADZCME-BXWFABGCSA-N 2 1 288.479 3.487 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559419 804408243 /nfs/dbraw/zinc/40/82/43/804408243.db2.gz BCZTWGKNJNCMCB-NRSFXHEJSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246561830 804410487 /nfs/dbraw/zinc/41/04/87/804410487.db2.gz XCVBDEFRKCRPEL-WTIISPKJSA-N 2 1 278.362 3.167 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246561830 804410489 /nfs/dbraw/zinc/41/04/89/804410489.db2.gz XCVBDEFRKCRPEL-WTIISPKJSA-N 2 1 278.362 3.167 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)CC2)CC[NH2+]1 ZINC001246563774 804411220 /nfs/dbraw/zinc/41/12/20/804411220.db2.gz BYJILGJRWJIIOR-DZKIICNBSA-N 2 1 270.436 3.367 20 0 CGADMP CC(C)OC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246564789 804413743 /nfs/dbraw/zinc/41/37/43/804413743.db2.gz GLZSGEICSJQCJN-XNIRIUNOSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C[C@@H]1C ZINC001246563987 804413796 /nfs/dbraw/zinc/41/37/96/804413796.db2.gz YJZFOOMWDMMDPT-YXMSTPNBSA-N 2 1 252.446 3.118 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246567506 804415579 /nfs/dbraw/zinc/41/55/79/804415579.db2.gz LHAICGZQYGSWJP-IJEWVQPXSA-N 2 1 278.415 3.064 20 0 CGADMP CC1CC([N@@H+](C)[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246570018 804417462 /nfs/dbraw/zinc/41/74/62/804417462.db2.gz GTYROWNXJAWYLW-YCHGYYGWSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@H]1C ZINC001246573048 804420834 /nfs/dbraw/zinc/42/08/34/804420834.db2.gz DZXQYBRQCRGEEG-WCVJEAGWSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246577287 804422156 /nfs/dbraw/zinc/42/21/56/804422156.db2.gz NXZCUPJKMZAULM-PBHICJAKSA-N 2 1 278.415 3.208 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246574896 804422608 /nfs/dbraw/zinc/42/26/08/804422608.db2.gz JNYQDCRHGATOBE-RHSMWYFYSA-N 2 1 278.415 3.208 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCc3ccccc3CC2)CC1 ZINC001246577782 804424844 /nfs/dbraw/zinc/42/48/44/804424844.db2.gz PMOBHYYQZZVXNO-LJQANCHMSA-N 2 1 286.463 3.385 20 0 CGADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001246580578 804426395 /nfs/dbraw/zinc/42/63/95/804426395.db2.gz XEHZFXFSLZQOPO-CRAIPNDOSA-N 2 1 290.451 3.077 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246583956 804427803 /nfs/dbraw/zinc/42/78/03/804427803.db2.gz WPDWANBVCXEHFQ-ABHNRTSZSA-N 3 1 295.515 3.090 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCC(F)(F)CC2)C1 ZINC001246587226 804429530 /nfs/dbraw/zinc/42/95/30/804429530.db2.gz WCTQXJWCYFVGNL-ZDUSSCGKSA-N 2 1 260.372 3.015 20 0 CGADMP COc1ccccc1C[C@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246587241 804429686 /nfs/dbraw/zinc/42/96/86/804429686.db2.gz WJLBDHMKQYAMPJ-MAUKXSAKSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586326 804430207 /nfs/dbraw/zinc/43/02/07/804430207.db2.gz TTWGCIWFWAGDOA-RHSMWYFYSA-N 2 1 292.854 3.258 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@H](C)CC2)C[C@@H](CC)[NH2+]1 ZINC001246588773 804430968 /nfs/dbraw/zinc/43/09/68/804430968.db2.gz AMHHWUKPUXPYBD-RRFJBIMHSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589503 804431020 /nfs/dbraw/zinc/43/10/20/804431020.db2.gz SFAOZGQQSZWLDJ-IKGGRYGDSA-N 2 1 278.415 3.159 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589503 804431024 /nfs/dbraw/zinc/43/10/24/804431024.db2.gz SFAOZGQQSZWLDJ-IKGGRYGDSA-N 2 1 278.415 3.159 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@](C)(C[NH3+])C1)C2 ZINC001246588689 804431198 /nfs/dbraw/zinc/43/11/98/804431198.db2.gz CCDYTWXGKNEWDS-MJGOQNOKSA-N 2 1 286.463 3.303 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246588429 804432388 /nfs/dbraw/zinc/43/23/88/804432388.db2.gz ZFTWZPNZFASABZ-RHSMWYFYSA-N 2 1 278.415 3.208 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246601917 804438899 /nfs/dbraw/zinc/43/88/99/804438899.db2.gz HXSGJMYCGJTRLT-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)CC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246602833 804440241 /nfs/dbraw/zinc/44/02/41/804440241.db2.gz CVLBGMICSZJZQA-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246606807 804441757 /nfs/dbraw/zinc/44/17/57/804441757.db2.gz BXUJUPNVSXJARF-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246606285 804442060 /nfs/dbraw/zinc/44/20/60/804442060.db2.gz DMKTXCMSSXKBJM-RDBSUJKOSA-N 2 1 290.373 3.326 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246606285 804442068 /nfs/dbraw/zinc/44/20/68/804442068.db2.gz DMKTXCMSSXKBJM-RDBSUJKOSA-N 2 1 290.373 3.326 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246605444 804442207 /nfs/dbraw/zinc/44/22/07/804442207.db2.gz JTRMTCIRAJVNNE-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001246607586 804443079 /nfs/dbraw/zinc/44/30/79/804443079.db2.gz RBZNZNAMWRLXAH-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246610273 804445228 /nfs/dbraw/zinc/44/52/28/804445228.db2.gz MFUHWHCAROFEFK-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246610273 804445232 /nfs/dbraw/zinc/44/52/32/804445232.db2.gz MFUHWHCAROFEFK-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246611614 804445272 /nfs/dbraw/zinc/44/52/72/804445272.db2.gz UYOBYVSEOFPKCT-YOEHRIQHSA-N 2 1 292.854 3.347 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246614986 804448072 /nfs/dbraw/zinc/44/80/72/804448072.db2.gz QJTGDOBAYJVSJT-OALUTQOASA-N 2 1 286.463 3.472 20 0 CGADMP Nc1[nH+]cccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001212399724 815018665 /nfs/dbraw/zinc/01/86/65/815018665.db2.gz JSIZQQXBYRGSGT-UHFFFAOYSA-N 2 1 282.391 3.046 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C[C@@H]1C ZINC001246614665 804449245 /nfs/dbraw/zinc/44/92/45/804449245.db2.gz UBZNKJVPLWGVMS-OWCLPIDISA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246615807 804450362 /nfs/dbraw/zinc/45/03/62/804450362.db2.gz VVBACBNMIGFKMR-INIZCTEOSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001246615139 804450701 /nfs/dbraw/zinc/45/07/01/804450701.db2.gz QHXMWIYAMWIZKH-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246620260 804453307 /nfs/dbraw/zinc/45/33/07/804453307.db2.gz XGBUNGCVJTYWHG-SQNIBIBYSA-N 2 1 295.515 3.151 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)C1 ZINC001246623463 804455275 /nfs/dbraw/zinc/45/52/75/804455275.db2.gz TXNCGBLCRCESDW-GDBMZVCRSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246630554 804460256 /nfs/dbraw/zinc/46/02/56/804460256.db2.gz PHCAGPNWJWHYBQ-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001246630616 804461006 /nfs/dbraw/zinc/46/10/06/804461006.db2.gz PPXRJLYDJQMUTA-CKUJCDMFSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246629714 804461026 /nfs/dbraw/zinc/46/10/26/804461026.db2.gz HKQLPTIABJUBKY-MOPGFXCFSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246632048 804462392 /nfs/dbraw/zinc/46/23/92/804462392.db2.gz UEAXIDDMZDIGHJ-IEBWSBKVSA-N 2 1 286.463 3.392 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246631841 804462529 /nfs/dbraw/zinc/46/25/29/804462529.db2.gz SVKGAULIAIIOBH-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246632987 804463866 /nfs/dbraw/zinc/46/38/66/804463866.db2.gz CVRPUXIZANZPTP-LVQVYYBASA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246632987 804463869 /nfs/dbraw/zinc/46/38/69/804463869.db2.gz CVRPUXIZANZPTP-LVQVYYBASA-N 2 1 252.446 3.275 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246634080 804464384 /nfs/dbraw/zinc/46/43/84/804464384.db2.gz ZUQQRERVONEQBR-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246640911 804467059 /nfs/dbraw/zinc/46/70/59/804467059.db2.gz HPDCCPKOPMDTGP-HRCADAONSA-N 2 1 262.441 3.316 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246642187 804468772 /nfs/dbraw/zinc/46/87/72/804468772.db2.gz LAZOMRWTFAJDCW-QGZVFWFLSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246644607 804472059 /nfs/dbraw/zinc/47/20/59/804472059.db2.gz IIJSNDNYTSYQQM-RCCFBDPRSA-N 2 1 296.499 3.293 20 0 CGADMP C1CCC([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001246647902 804475840 /nfs/dbraw/zinc/47/58/40/804475840.db2.gz VAILTSBXJUFTKT-INIZCTEOSA-N 2 1 250.430 3.173 20 0 CGADMP C1C[C@H]2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@H]2[NH2+]1 ZINC001246649451 804476757 /nfs/dbraw/zinc/47/67/57/804476757.db2.gz ZLFWJIAUFMJLMZ-HRCADAONSA-N 2 1 262.441 3.173 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246651680 804478496 /nfs/dbraw/zinc/47/84/96/804478496.db2.gz YBJUQYFSISWLEN-INIZCTEOSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246659256 804483594 /nfs/dbraw/zinc/48/35/94/804483594.db2.gz WQBPAYNDYHBCIF-NNXHMXCWSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246659256 804483599 /nfs/dbraw/zinc/48/35/99/804483599.db2.gz WQBPAYNDYHBCIF-NNXHMXCWSA-N 2 1 264.457 3.418 20 0 CGADMP CCCCCC(CCCCC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246660699 804484014 /nfs/dbraw/zinc/48/40/14/804484014.db2.gz JBXOQBXDRVVJKR-MUJYYYPQSA-N 2 1 252.446 3.405 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)CC2)cc1 ZINC001246659460 804484122 /nfs/dbraw/zinc/48/41/22/804484122.db2.gz SMZKIHMTVVCSCG-NBDWZHNGSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246669965 804487932 /nfs/dbraw/zinc/48/79/32/804487932.db2.gz AVZWARCFXINJRD-AHRSYUTCSA-N 2 1 298.474 3.428 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677557 804491301 /nfs/dbraw/zinc/49/13/01/804491301.db2.gz JALJSHZIFBSEDP-XSLAGTTESA-N 2 1 296.499 3.292 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3C2CCCC2)cc1 ZINC001246676800 804491532 /nfs/dbraw/zinc/49/15/32/804491532.db2.gz SQKBRHSJJMRDCE-QZTJIDSGSA-N 2 1 270.420 3.151 20 0 CGADMP C[N@@H+](CCC[NH3+])[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246678446 804493396 /nfs/dbraw/zinc/49/33/96/804493396.db2.gz FFEJFCODKSIOAV-LBPRGKRZSA-N 2 1 287.234 3.131 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246680781 804494406 /nfs/dbraw/zinc/49/44/06/804494406.db2.gz LFNOGNJVSJIVHA-UXLLHSPISA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001246681355 804494520 /nfs/dbraw/zinc/49/45/20/804494520.db2.gz NXHJOTBLEGWYDU-INIZCTEOSA-N 2 1 274.452 3.248 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246681830 804494724 /nfs/dbraw/zinc/49/47/24/804494724.db2.gz RGGVRCONWIVLDS-HNNXBMFYSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001246682562 804495427 /nfs/dbraw/zinc/49/54/27/804495427.db2.gz WCHXXBUGIKNKOP-HNNXBMFYSA-N 2 1 292.854 3.129 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3sccc3C2)C[C@H](CC)[NH2+]1 ZINC001246682986 804496022 /nfs/dbraw/zinc/49/60/22/804496022.db2.gz PIYDCNUWQNMJFJ-QDMKHBRRSA-N 2 1 278.465 3.415 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3sccc3C2)C[C@H](CC)[NH2+]1 ZINC001246682986 804496028 /nfs/dbraw/zinc/49/60/28/804496028.db2.gz PIYDCNUWQNMJFJ-QDMKHBRRSA-N 2 1 278.465 3.415 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246685742 804496141 /nfs/dbraw/zinc/49/61/41/804496141.db2.gz BDWBTAIPRRMSPZ-XHSDSOJGSA-N 2 1 270.436 3.369 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246687023 804496355 /nfs/dbraw/zinc/49/63/55/804496355.db2.gz CNFNCBTZZDKXNH-GDBMZVCRSA-N 2 1 284.463 3.456 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246686747 804496380 /nfs/dbraw/zinc/49/63/80/804496380.db2.gz SNEFPXABIJKCQH-BRSBDYLESA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](C1CC[NH2+]CC1)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246695102 804499345 /nfs/dbraw/zinc/49/93/45/804499345.db2.gz OJCIGWRCTYDIHF-WMZOPIPTSA-N 2 1 272.436 3.397 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246745764 804500552 /nfs/dbraw/zinc/50/05/52/804500552.db2.gz GDYMGYNPYVBPOB-WMZOPIPTSA-N 2 1 298.474 3.415 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246773627 804503903 /nfs/dbraw/zinc/50/39/03/804503903.db2.gz BVVVPSIVUFGVFK-NJAFHUGGSA-N 2 1 272.436 3.082 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246775790 804504493 /nfs/dbraw/zinc/50/44/93/804504493.db2.gz LFQDWBMDOOVJGG-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246773327 804504691 /nfs/dbraw/zinc/50/46/91/804504691.db2.gz APSJZWQIGSRARI-XNHLSEOASA-N 2 1 270.420 3.149 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246791074 804512985 /nfs/dbraw/zinc/51/29/85/804512985.db2.gz JEELNKAYQWBSFF-ZQIUZPCESA-N 2 1 288.435 3.361 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246789720 804513170 /nfs/dbraw/zinc/51/31/70/804513170.db2.gz YKDXDVNGCYWBSQ-DOTOQJQBSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246789720 804513175 /nfs/dbraw/zinc/51/31/75/804513175.db2.gz YKDXDVNGCYWBSQ-DOTOQJQBSA-N 2 1 288.435 3.048 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794465 804516951 /nfs/dbraw/zinc/51/69/51/804516951.db2.gz ZUQSFZGTCBKTSR-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](Cc1ccccc1F)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246793784 804517014 /nfs/dbraw/zinc/51/70/14/804517014.db2.gz VYSREXLVTNBTSO-WBVHZDCISA-N 2 1 276.399 3.180 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794449 804517753 /nfs/dbraw/zinc/51/77/53/804517753.db2.gz ZTJWZBWVBSIJBM-SFHVURJKSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246799951 804521073 /nfs/dbraw/zinc/52/10/73/804521073.db2.gz PMVLCRFUTQEKGD-UHOFOFEASA-N 2 1 262.372 3.103 20 0 CGADMP C[N@@H+](CC1CCC1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246803423 804523970 /nfs/dbraw/zinc/52/39/70/804523970.db2.gz JZCMFECCTBYYLI-MSOLQXFVSA-N 2 1 272.436 3.082 20 0 CGADMP Clc1ccccc1[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246810079 804526938 /nfs/dbraw/zinc/52/69/38/804526938.db2.gz MFHLUKSATPYNOB-JKXDFHQYSA-N 2 1 290.838 3.412 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@H](C)C1 ZINC001246809229 804527122 /nfs/dbraw/zinc/52/71/22/804527122.db2.gz GEPNTBKMGQKDFV-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001246809772 804527525 /nfs/dbraw/zinc/52/75/25/804527525.db2.gz SNZLLJPYQXULCX-GVRJEKJASA-N 2 1 252.446 3.401 20 0 CGADMP COC(C)(C)[C@H]1CCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246811340 804529207 /nfs/dbraw/zinc/52/92/07/804529207.db2.gz SNNNJNWLEGVDKP-JKSUJKDBSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246816893 804531637 /nfs/dbraw/zinc/53/16/37/804531637.db2.gz MMUWYAPPRZUCMT-BJWYYQGGSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246816893 804531639 /nfs/dbraw/zinc/53/16/39/804531639.db2.gz MMUWYAPPRZUCMT-BJWYYQGGSA-N 2 1 276.399 3.451 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246815257 804531750 /nfs/dbraw/zinc/53/17/50/804531750.db2.gz WTHCGZHLSBAWDN-MRXNPFEDSA-N 2 1 292.854 3.489 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246825594 804538608 /nfs/dbraw/zinc/53/86/08/804538608.db2.gz VVIHICFFAPZNNZ-SJORKVTESA-N 2 1 292.442 3.467 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@@H+]1C[C@@H]3CCC[C@@H](C3)C1)C2 ZINC001246835764 804544889 /nfs/dbraw/zinc/54/48/89/804544889.db2.gz UEGXWPWPECWTQI-VVLHAWIVSA-N 2 1 262.441 3.031 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2cccc(OC)c2)CC[NH2+]1 ZINC001246840415 804548972 /nfs/dbraw/zinc/54/89/72/804548972.db2.gz OEJKMDFGORVMKN-HZPDHXFCSA-N 2 1 276.424 3.048 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246844204 804551788 /nfs/dbraw/zinc/55/17/88/804551788.db2.gz HHTGJGGCMMJEGF-KBPBESRZSA-N 2 1 278.827 3.011 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246843456 804551863 /nfs/dbraw/zinc/55/18/63/804551863.db2.gz CNGHZILZQALUPN-DLBZAZTESA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246843218 804552130 /nfs/dbraw/zinc/55/21/30/804552130.db2.gz BJJBEWWXKZLXJI-UQPPLGOBSA-N 2 1 264.457 3.277 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)CC[NH2+]C ZINC001246846775 804555459 /nfs/dbraw/zinc/55/54/59/804555459.db2.gz RATYLJSPYWABGR-GFCCVEGCSA-N 2 1 254.805 3.160 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001246849439 804560706 /nfs/dbraw/zinc/56/07/06/804560706.db2.gz RFQNVEPAXPABFX-HZPDHXFCSA-N 2 1 292.492 3.407 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1CCC3(CCc4ccccc43)CC1)C2 ZINC001246852672 804562495 /nfs/dbraw/zinc/56/24/95/804562495.db2.gz JNIRRHADKRMFPV-CLPROHDKSA-N 2 1 296.458 3.236 20 0 CGADMP Fc1cccc2c1CC[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246862130 804566444 /nfs/dbraw/zinc/56/64/44/804566444.db2.gz LQHLTORROVKZRD-CRAIPNDOSA-N 2 1 288.410 3.106 20 0 CGADMP C[N@@H+](CCC1CC1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246864588 804567898 /nfs/dbraw/zinc/56/78/98/804567898.db2.gz UKRKJKCFHBDTGU-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246869473 804571291 /nfs/dbraw/zinc/57/12/91/804571291.db2.gz HIGDXDJGMPKDCX-BJWYYQGGSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246870410 804572141 /nfs/dbraw/zinc/57/21/41/804572141.db2.gz AUXOURKWEFCQLL-YSHGAJCASA-N 2 1 284.447 3.038 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+](Cc2ccco2)C2CC2)CC[NH2+]1 ZINC001246879702 804576277 /nfs/dbraw/zinc/57/62/77/804576277.db2.gz CJEDYBGTJKBNDP-GOEBONIOSA-N 2 1 276.424 3.411 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+](Cc2ccco2)C2CC2)CC[NH2+]1 ZINC001246879702 804576282 /nfs/dbraw/zinc/57/62/82/804576282.db2.gz CJEDYBGTJKBNDP-GOEBONIOSA-N 2 1 276.424 3.411 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246882179 804578327 /nfs/dbraw/zinc/57/83/27/804578327.db2.gz LKYPIMPYGLSHMT-ZBFHGGJFSA-N 2 1 278.465 3.492 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246881062 804578561 /nfs/dbraw/zinc/57/85/61/804578561.db2.gz GOZKTEZILKIQNZ-QDIHITRGSA-N 2 1 264.457 3.275 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246884048 804579754 /nfs/dbraw/zinc/57/97/54/804579754.db2.gz RZSSJDATPCDFDB-GQGLESIBSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H]1C[C@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246884049 804580233 /nfs/dbraw/zinc/58/02/33/804580233.db2.gz RZSSJDATPCDFDB-SJJHQCBESA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CCCC[NH3+])C1CCC2(CCc3ccccc32)CC1 ZINC001246889193 804581970 /nfs/dbraw/zinc/58/19/70/804581970.db2.gz DGNIZSBWPDRFDL-UHFFFAOYSA-N 2 1 286.463 3.484 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+](C)CCCC[NH3+] ZINC001246894134 804585430 /nfs/dbraw/zinc/58/54/30/804585430.db2.gz RWBYJJKHLYZQJZ-KRWDZBQOSA-N 2 1 262.441 3.459 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246908709 804593001 /nfs/dbraw/zinc/59/30/01/804593001.db2.gz UYDQVNVIOJAALZ-FOLVSLTJSA-N 2 1 278.827 3.160 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246914649 804596412 /nfs/dbraw/zinc/59/64/12/804596412.db2.gz ZOUMIGMAFNETJE-DLBZAZTESA-N 2 1 292.442 3.467 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246917728 804599018 /nfs/dbraw/zinc/59/90/18/804599018.db2.gz SMBIXBWNCUTSCM-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCc3c(C)cccc3C2)CC1 ZINC001246918548 804601089 /nfs/dbraw/zinc/60/10/89/804601089.db2.gz KZQLBYOJVHDBEA-ABHNRTSZSA-N 2 1 286.463 3.315 20 0 CGADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(F)c1 ZINC001141198015 804609666 /nfs/dbraw/zinc/60/96/66/804609666.db2.gz RSCXESBXMNOCSA-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CCSC[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246940340 804609845 /nfs/dbraw/zinc/60/98/45/804609845.db2.gz WIYOHRXXFFDCSA-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246938849 804610111 /nfs/dbraw/zinc/61/01/11/804610111.db2.gz OFLFOGTXLCHPAP-ARFHVFGLSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC3(CCC3)C2)CC[NH2+]1 ZINC001246941939 804611884 /nfs/dbraw/zinc/61/18/84/804611884.db2.gz MRYLMGRVSPHQNY-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)C[C@@H](C)CC(C)C ZINC001246944759 804612497 /nfs/dbraw/zinc/61/24/97/804612497.db2.gz VIZCVUDZGYJDOP-ARFHVFGLSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCCC3(CCC3)C2)CC[NH2+]1 ZINC001246941941 804612627 /nfs/dbraw/zinc/61/26/27/804612627.db2.gz MRYLMGRVSPHQNY-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246963321 804619911 /nfs/dbraw/zinc/61/99/11/804619911.db2.gz ABBKYROKPFMFKX-QZTJIDSGSA-N 2 1 274.452 3.315 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246974610 804624784 /nfs/dbraw/zinc/62/47/84/804624784.db2.gz KTCDPSOXDAMNLP-RDGPPVDQSA-N 2 1 286.463 3.457 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246982663 804626867 /nfs/dbraw/zinc/62/68/67/804626867.db2.gz ZOBKKJHCJFUXMV-STQMWFEESA-N 2 1 284.469 3.349 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246982663 804626870 /nfs/dbraw/zinc/62/68/70/804626870.db2.gz ZOBKKJHCJFUXMV-STQMWFEESA-N 2 1 284.469 3.349 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246998940 804634624 /nfs/dbraw/zinc/63/46/24/804634624.db2.gz ATUWLFAOEMZOKZ-HFBAOOFYSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246998940 804634629 /nfs/dbraw/zinc/63/46/29/804634629.db2.gz ATUWLFAOEMZOKZ-HFBAOOFYSA-N 2 1 280.362 3.242 20 0 CGADMP C[NH2+]CC[C@H](C)[NH+]1CCC(c2ccc(F)cc2F)CC1 ZINC001246999051 804634724 /nfs/dbraw/zinc/63/47/24/804634724.db2.gz QCKFCNWCOMQXNM-LBPRGKRZSA-N 2 1 282.378 3.142 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001247004390 804635795 /nfs/dbraw/zinc/63/57/95/804635795.db2.gz PQKPZLJWJVDLRH-KTGAGVNESA-N 2 1 288.410 3.116 20 0 CGADMP CCC[C@@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247005612 804636840 /nfs/dbraw/zinc/63/68/40/804636840.db2.gz QCTRUGWAZHIONV-OAHLLOKOSA-N 2 1 272.436 3.312 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247015257 804643245 /nfs/dbraw/zinc/64/32/45/804643245.db2.gz NQLWBJCUBVLSMJ-YTQUADARSA-N 2 1 286.463 3.390 20 0 CGADMP Cc1cc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c[nH+]c1N ZINC001249792426 805249355 /nfs/dbraw/zinc/24/93/55/805249355.db2.gz VBAZHSKEMVRGDU-OAHLLOKOSA-N 2 1 298.390 3.101 20 0 CGADMP CCC[C@@H](CC)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001257264884 807079358 /nfs/dbraw/zinc/07/93/58/807079358.db2.gz VKBJNGXYOIMSEA-NVXWUHKLSA-N 2 1 282.472 3.140 20 0 CGADMP CCC(CC)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001257299722 807094619 /nfs/dbraw/zinc/09/46/19/807094619.db2.gz NENORECSXFKJJW-CALCHBBNSA-N 2 1 272.436 3.239 20 0 CGADMP CCC(CC)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001257299722 807094627 /nfs/dbraw/zinc/09/46/27/807094627.db2.gz NENORECSXFKJJW-CALCHBBNSA-N 2 1 272.436 3.239 20 0 CGADMP CCC(CC)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001257299722 807094635 /nfs/dbraw/zinc/09/46/35/807094635.db2.gz NENORECSXFKJJW-CALCHBBNSA-N 2 1 272.436 3.239 20 0 CGADMP CCC(CC)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001257299722 807094644 /nfs/dbraw/zinc/09/46/44/807094644.db2.gz NENORECSXFKJJW-CALCHBBNSA-N 2 1 272.436 3.239 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCCC2)CC1 ZINC001257349380 807117549 /nfs/dbraw/zinc/11/75/49/807117549.db2.gz RJJIBWOEKXFRRT-CZIWCDLHSA-N 2 1 273.424 3.096 20 0 CGADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2CCCCC2)CC1 ZINC001257450616 807163641 /nfs/dbraw/zinc/16/36/41/807163641.db2.gz FKWOPAODWNIABD-UHFFFAOYSA-N 2 1 273.424 3.281 20 0 CGADMP CC(C)OC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001257877402 807234000 /nfs/dbraw/zinc/23/40/00/807234000.db2.gz GFHHWESOFZLFRT-CPFNUKBASA-N 2 1 296.499 3.431 20 0 CGADMP CC(C)OC1CCC([N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001257882544 807237024 /nfs/dbraw/zinc/23/70/24/807237024.db2.gz SARVMCYFZUOITO-UHFFFAOYSA-N 2 1 282.472 3.140 20 0 CGADMP COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1F ZINC001258004571 807262867 /nfs/dbraw/zinc/26/28/67/807262867.db2.gz GPGFJDOTXOTYIV-UHFFFAOYSA-N 2 1 294.414 3.044 20 0 CGADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068887 807287309 /nfs/dbraw/zinc/28/73/09/807287309.db2.gz GGJCWEXSWUKHAM-XWTMOSNGSA-N 2 1 296.499 3.100 20 0 CGADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068887 807287314 /nfs/dbraw/zinc/28/73/14/807287314.db2.gz GGJCWEXSWUKHAM-XWTMOSNGSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068887 807287317 /nfs/dbraw/zinc/28/73/17/807287317.db2.gz GGJCWEXSWUKHAM-XWTMOSNGSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068887 807287322 /nfs/dbraw/zinc/28/73/22/807287322.db2.gz GGJCWEXSWUKHAM-XWTMOSNGSA-N 2 1 296.499 3.100 20 0 CGADMP c1cnc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167969233 807287768 /nfs/dbraw/zinc/28/77/68/807287768.db2.gz ALJMMVQNPYDQQY-IYHXRUFHSA-N 2 1 297.446 3.064 20 0 CGADMP CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005421 807298840 /nfs/dbraw/zinc/29/88/40/807298840.db2.gz IQXGTZRFSDTZDL-SCAQPMJSSA-N 2 1 260.425 3.428 20 0 CGADMP COCC[N@@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039185 807302799 /nfs/dbraw/zinc/30/27/99/807302799.db2.gz BYPDOYUZFMHZAX-HOTGVXAUSA-N 2 1 290.451 3.006 20 0 CGADMP C[Si](C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258135932 807318507 /nfs/dbraw/zinc/31/85/07/807318507.db2.gz VENRZANOZCPBDO-UHFFFAOYSA-N 2 1 290.527 3.161 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH+]3C4CCC3CC4)CC2)cc1 ZINC001258145732 807319274 /nfs/dbraw/zinc/31/92/74/807319274.db2.gz JEILHXMYPMFQKB-UHFFFAOYSA-N 2 1 284.447 3.320 20 0 CGADMP CC1CCC([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168205402 807347357 /nfs/dbraw/zinc/34/73/57/807347357.db2.gz AYSYXEVJKWNYLF-PQCUMEFNSA-N 2 1 294.483 3.316 20 0 CGADMP CSCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258205845 807362258 /nfs/dbraw/zinc/36/22/58/807362258.db2.gz AOQKIUQVZNBNDV-ZIAGYGMSSA-N 2 1 270.486 3.125 20 0 CGADMP CSCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258205845 807362267 /nfs/dbraw/zinc/36/22/67/807362267.db2.gz AOQKIUQVZNBNDV-ZIAGYGMSSA-N 2 1 270.486 3.125 20 0 CGADMP CSCC[C@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001258220744 807371070 /nfs/dbraw/zinc/37/10/70/807371070.db2.gz YBIYZKDQPVIFCL-HOTGVXAUSA-N 2 1 284.513 3.468 20 0 CGADMP CSCC[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001258220746 807373205 /nfs/dbraw/zinc/37/32/05/807373205.db2.gz YBIYZKDQPVIFCL-JKSUJKDBSA-N 2 1 284.513 3.468 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001258278738 807391341 /nfs/dbraw/zinc/39/13/41/807391341.db2.gz ARDDGIGYIPSGNX-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001258278738 807391350 /nfs/dbraw/zinc/39/13/50/807391350.db2.gz ARDDGIGYIPSGNX-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001168373683 807396742 /nfs/dbraw/zinc/39/67/42/807396742.db2.gz SJMCXMJFRQGGDJ-LSDHHAIUSA-N 2 1 264.457 3.229 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168402076 807406274 /nfs/dbraw/zinc/40/62/74/807406274.db2.gz XYXGFFNHGMXEGC-SFHVURJKSA-N 2 1 292.442 3.395 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168439446 807415395 /nfs/dbraw/zinc/41/53/95/807415395.db2.gz WKZMBHTZOYXSQU-SFHVURJKSA-N 2 1 290.426 3.099 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168439446 807415401 /nfs/dbraw/zinc/41/54/01/807415401.db2.gz WKZMBHTZOYXSQU-SFHVURJKSA-N 2 1 290.426 3.099 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccc(F)c2)[C@H](C)C1 ZINC001168473757 807428802 /nfs/dbraw/zinc/42/88/02/807428802.db2.gz HJZMRZHQOFBINH-RKVPGOIHSA-N 2 1 292.442 3.465 20 0 CGADMP CCCCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258447403 807455501 /nfs/dbraw/zinc/45/55/01/807455501.db2.gz AFKXKXLDXNXRRM-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258447403 807455505 /nfs/dbraw/zinc/45/55/05/807455505.db2.gz AFKXKXLDXNXRRM-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC1CC1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258447710 807455900 /nfs/dbraw/zinc/45/59/00/807455900.db2.gz VYEBKAHNROVSMC-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001258654121 807524292 /nfs/dbraw/zinc/52/42/92/807524292.db2.gz HRZVPFIEBNVGLG-KBAYOESNSA-N 2 1 274.452 3.328 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001258654121 807524296 /nfs/dbraw/zinc/52/42/96/807524296.db2.gz HRZVPFIEBNVGLG-KBAYOESNSA-N 2 1 274.452 3.328 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)C2 ZINC001169078818 807567872 /nfs/dbraw/zinc/56/78/72/807567872.db2.gz HNBRQKBYKDBLAT-ZSOGYDGISA-N 2 1 296.361 3.003 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)C2 ZINC001169078818 807567877 /nfs/dbraw/zinc/56/78/77/807567877.db2.gz HNBRQKBYKDBLAT-ZSOGYDGISA-N 2 1 296.361 3.003 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C1CC1)C2 ZINC001169091862 807571505 /nfs/dbraw/zinc/57/15/05/807571505.db2.gz WNPDYNAPHPJRDP-BJWYYQGGSA-N 2 1 270.420 3.279 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC13CC4CC(CC(C4)C1)C3)C2 ZINC001169096854 807573103 /nfs/dbraw/zinc/57/31/03/807573103.db2.gz ZCWGFTMOQOTRCF-HQRPEDAJSA-N 2 1 288.479 3.418 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169093451 807573316 /nfs/dbraw/zinc/57/33/16/807573316.db2.gz HPYSDEHNBJXJPC-YVSFHVDLSA-N 2 1 276.399 3.492 20 0 CGADMP Cc1ccc(C(C)(C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099168 807575995 /nfs/dbraw/zinc/57/59/95/807575995.db2.gz OJTBQQIRBDRSGJ-OSYLJGHBSA-N 2 1 272.436 3.445 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3)CCC1)C2 ZINC001169109176 807577537 /nfs/dbraw/zinc/57/75/37/807577537.db2.gz ZJNRHPMLKPLDJV-OSYLJGHBSA-N 2 1 270.420 3.281 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)c(F)c1 ZINC001169107643 807577726 /nfs/dbraw/zinc/57/77/26/807577726.db2.gz IRDMUNOWASNKOL-ZRJCITRHSA-N 2 1 280.362 3.241 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC001169107643 807577730 /nfs/dbraw/zinc/57/77/30/807577730.db2.gz IRDMUNOWASNKOL-ZRJCITRHSA-N 2 1 280.362 3.241 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(F)c3)CC1)C2 ZINC001169106881 807578172 /nfs/dbraw/zinc/57/81/72/807578172.db2.gz ASTVJKNIQGRZAC-MUJYYYPQSA-N 2 1 274.383 3.030 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(F)c3)CC1)C2 ZINC001169106881 807578178 /nfs/dbraw/zinc/57/81/78/807578178.db2.gz ASTVJKNIQGRZAC-MUJYYYPQSA-N 2 1 274.383 3.030 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)nc1 ZINC001169120179 807582625 /nfs/dbraw/zinc/58/26/25/807582625.db2.gz ZEDKIPWBNGPLDO-CUSZFKRNSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001169120179 807582630 /nfs/dbraw/zinc/58/26/30/807582630.db2.gz ZEDKIPWBNGPLDO-CUSZFKRNSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccccc1C(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118734 807583268 /nfs/dbraw/zinc/58/32/68/807583268.db2.gz MLHQEDXFTDQRCC-PHZGNYQRSA-N 2 1 272.436 3.445 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCCC3)CC1)C2 ZINC001169131781 807585787 /nfs/dbraw/zinc/58/57/87/807585787.db2.gz YZQODNLNVKAJLM-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCCC3)CC1)C2 ZINC001169131781 807585791 /nfs/dbraw/zinc/58/57/91/807585791.db2.gz YZQODNLNVKAJLM-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP CCCC[C@@H](CCC)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258756172 807596798 /nfs/dbraw/zinc/59/67/98/807596798.db2.gz JSDYVXAOWBUNRH-BZUAXINKSA-N 2 1 282.472 3.316 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCc3ccc(C)cc3C2)CC1 ZINC001258771507 807605258 /nfs/dbraw/zinc/60/52/58/807605258.db2.gz GLSRUFJZROWLRF-UHFFFAOYSA-N 2 1 272.436 3.228 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCc3ccc(C)cc3C2)CC1 ZINC001258771507 807605262 /nfs/dbraw/zinc/60/52/62/807605262.db2.gz GLSRUFJZROWLRF-UHFFFAOYSA-N 2 1 272.436 3.228 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001258771837 807605369 /nfs/dbraw/zinc/60/53/69/807605369.db2.gz XIBAKZPUNUTPEA-OAHLLOKOSA-N 2 1 256.409 3.075 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258783371 807610912 /nfs/dbraw/zinc/61/09/12/807610912.db2.gz DKZRTLRGPOXNGD-BPQIPLTHSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258783371 807610918 /nfs/dbraw/zinc/61/09/18/807610918.db2.gz DKZRTLRGPOXNGD-BPQIPLTHSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001169240421 807612813 /nfs/dbraw/zinc/61/28/13/807612813.db2.gz HXVDYUUHDXCOJG-INIZCTEOSA-N 2 1 293.842 3.260 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001169254401 807615094 /nfs/dbraw/zinc/61/50/94/807615094.db2.gz DTKZZDZCISOMAM-GOSISDBHSA-N 2 1 288.435 3.316 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001169254401 807615099 /nfs/dbraw/zinc/61/50/99/807615099.db2.gz DTKZZDZCISOMAM-GOSISDBHSA-N 2 1 288.435 3.316 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2OC)CC1 ZINC001169258360 807616665 /nfs/dbraw/zinc/61/66/65/807616665.db2.gz JRLQAJHDLIRKPT-KRWDZBQOSA-N 2 1 288.435 3.316 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2OC)CC1 ZINC001169258360 807616668 /nfs/dbraw/zinc/61/66/68/807616668.db2.gz JRLQAJHDLIRKPT-KRWDZBQOSA-N 2 1 288.435 3.316 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001169261674 807617786 /nfs/dbraw/zinc/61/77/86/807617786.db2.gz LJUWGWISUBRVRI-UHFFFAOYSA-N 2 1 288.435 3.056 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258798789 807620385 /nfs/dbraw/zinc/62/03/85/807620385.db2.gz YUTIGWXVPCGDHO-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258798789 807620387 /nfs/dbraw/zinc/62/03/87/807620387.db2.gz YUTIGWXVPCGDHO-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258798789 807620393 /nfs/dbraw/zinc/62/03/93/807620393.db2.gz YUTIGWXVPCGDHO-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ncc2n1CCN(C(CC(C)C)CC(C)C)C2 ZINC001258833690 807647760 /nfs/dbraw/zinc/64/77/60/807647760.db2.gz GFXUHILGVARLMZ-UHFFFAOYSA-N 2 1 263.429 3.468 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccccc1OC ZINC001258879926 807662591 /nfs/dbraw/zinc/66/25/91/807662591.db2.gz LTOXDRARTYOTSW-MRXNPFEDSA-N 2 1 292.467 3.338 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccccc1OC ZINC001258879926 807662596 /nfs/dbraw/zinc/66/25/96/807662596.db2.gz LTOXDRARTYOTSW-MRXNPFEDSA-N 2 1 292.467 3.338 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001258906780 807671348 /nfs/dbraw/zinc/67/13/48/807671348.db2.gz ABXTUIDIXQOYCN-QLFBSQMISA-N 2 1 258.425 3.177 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC001258906793 807671954 /nfs/dbraw/zinc/67/19/54/807671954.db2.gz AFZKTLBYMCEFLH-OAHLLOKOSA-N 2 1 263.429 3.024 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1-n1ccc(C[NH3+])c1 ZINC001169726053 807699104 /nfs/dbraw/zinc/69/91/04/807699104.db2.gz QECZQDKCWFNHSG-UHFFFAOYSA-N 2 1 269.392 3.235 20 0 CGADMP CC[NH+](CC)C1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001261261166 807724523 /nfs/dbraw/zinc/72/45/23/807724523.db2.gz LMDYHVJEONSNED-GOSISDBHSA-N 2 1 295.515 3.056 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001170249702 807802645 /nfs/dbraw/zinc/80/26/45/807802645.db2.gz AGJXFSBLGPPAMH-DMRZNYOFSA-N 2 1 292.854 3.486 20 0 CGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170724572 807886784 /nfs/dbraw/zinc/88/67/84/807886784.db2.gz MPYGYKXVNQLHPZ-OSYLJGHBSA-N 2 1 299.462 3.383 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170758317 807900239 /nfs/dbraw/zinc/90/02/39/807900239.db2.gz PCLBMFWVRSQROX-BJWYYQGGSA-N 2 1 278.484 3.473 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCc2cccc(Cl)c2C1 ZINC001170897200 807928231 /nfs/dbraw/zinc/92/82/31/807928231.db2.gz MJQPOFNLHFWOOB-AWEZNQCLSA-N 2 1 280.843 3.258 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170954247 807943155 /nfs/dbraw/zinc/94/31/55/807943155.db2.gz DYJFOHMTOUXYKG-JLSDUUJJSA-N 2 1 290.426 3.145 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171116260 807988518 /nfs/dbraw/zinc/98/85/18/807988518.db2.gz MEZWDJGMZYFYDR-CSMYWGQOSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171116260 807988525 /nfs/dbraw/zinc/98/85/25/807988525.db2.gz MEZWDJGMZYFYDR-CSMYWGQOSA-N 2 1 292.854 3.127 20 0 CGADMP Cc1[nH+]c2ccc(NC[C@@H]3CCCC[NH2+]3)cc2n1C(C)C ZINC001171335217 808030355 /nfs/dbraw/zinc/03/03/55/808030355.db2.gz SPFAFMZCLSIPGC-HNNXBMFYSA-N 2 1 286.423 3.480 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001171555937 808094351 /nfs/dbraw/zinc/09/43/51/808094351.db2.gz FBCJBEBMUZJKMN-AKHDSKFASA-N 2 1 298.474 3.457 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001171555937 808094357 /nfs/dbraw/zinc/09/43/57/808094357.db2.gz FBCJBEBMUZJKMN-AKHDSKFASA-N 2 1 298.474 3.457 20 0 CGADMP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965194 808161258 /nfs/dbraw/zinc/16/12/58/808161258.db2.gz OWJHLMNSPVFETO-DOTOQJQBSA-N 2 1 290.451 3.054 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC001172098848 808170562 /nfs/dbraw/zinc/17/05/62/808170562.db2.gz CKLWROMXRBCVPT-QKDCVEJESA-N 2 1 280.362 3.070 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC001172098848 808170569 /nfs/dbraw/zinc/17/05/69/808170569.db2.gz CKLWROMXRBCVPT-QKDCVEJESA-N 2 1 280.362 3.070 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099430 808172981 /nfs/dbraw/zinc/17/29/81/808172981.db2.gz HHBLBTSXKQOFHM-IBEHDNSVSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099430 808172986 /nfs/dbraw/zinc/17/29/86/808172986.db2.gz HHBLBTSXKQOFHM-IBEHDNSVSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC001172104221 808173594 /nfs/dbraw/zinc/17/35/94/808173594.db2.gz AUPZVIQJSXGIKH-PHZGNYQRSA-N 2 1 276.399 3.239 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCc1cccs1)C2 ZINC001172103994 808173672 /nfs/dbraw/zinc/17/36/72/808173672.db2.gz YPRAIMPPCOPRMZ-QDMKHBRRSA-N 2 1 278.465 3.286 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102415 808174179 /nfs/dbraw/zinc/17/41/79/808174179.db2.gz MSBCXMGMYWHSPB-FPCVCCKLSA-N 2 1 273.424 3.056 20 0 CGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1F ZINC001172102196 808174865 /nfs/dbraw/zinc/17/48/65/808174865.db2.gz KWLVKWUNSFGBLJ-MUJYYYPQSA-N 2 1 276.399 3.239 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106898 808176160 /nfs/dbraw/zinc/17/61/60/808176160.db2.gz QTRKXCLGKPIQEY-LVQVYYBASA-N 2 1 273.424 3.056 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172105380 808177038 /nfs/dbraw/zinc/17/70/38/808177038.db2.gz HXJZOPYEELMTDS-YHUYYLMFSA-N 2 1 273.424 3.056 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112919 808178589 /nfs/dbraw/zinc/17/85/89/808178589.db2.gz GUAPXWLGOFAZSL-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[NH+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112919 808178591 /nfs/dbraw/zinc/17/85/91/808178591.db2.gz GUAPXWLGOFAZSL-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[N@H+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112919 808178584 /nfs/dbraw/zinc/17/85/84/808178584.db2.gz GUAPXWLGOFAZSL-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[NH+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112919 808178596 /nfs/dbraw/zinc/17/85/96/808178596.db2.gz GUAPXWLGOFAZSL-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116979 808180244 /nfs/dbraw/zinc/18/02/44/808180244.db2.gz FIIAOVSMGYQDBT-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116979 808180247 /nfs/dbraw/zinc/18/02/47/808180247.db2.gz FIIAOVSMGYQDBT-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116979 808180251 /nfs/dbraw/zinc/18/02/51/808180251.db2.gz FIIAOVSMGYQDBT-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3)CC1)C2 ZINC001172119020 808180401 /nfs/dbraw/zinc/18/04/01/808180401.db2.gz VEKAGZMCGQSWNY-BCDXTJNWSA-N 2 1 284.447 3.323 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc31)C2 ZINC001172113007 808181355 /nfs/dbraw/zinc/18/13/55/808181355.db2.gz BRICJSVDOKUHPT-DFGXFYAUSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc31)C2 ZINC001172113007 808181358 /nfs/dbraw/zinc/18/13/58/808181358.db2.gz BRICJSVDOKUHPT-DFGXFYAUSA-N 2 1 288.410 3.418 20 0 CGADMP Cc1cncc([C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172114026 808181385 /nfs/dbraw/zinc/18/13/85/808181385.db2.gz ODCDCOLNEWIIJV-AKHDSKFASA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cncc([C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172114026 808181388 /nfs/dbraw/zinc/18/13/88/808181388.db2.gz ODCDCOLNEWIIJV-AKHDSKFASA-N 2 1 299.462 3.446 20 0 CGADMP C[N@H+](CCc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122401 808182762 /nfs/dbraw/zinc/18/27/62/808182762.db2.gz APSNNTLJWOBJGL-BJWYYQGGSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122401 808182766 /nfs/dbraw/zinc/18/27/66/808182766.db2.gz APSNNTLJWOBJGL-BJWYYQGGSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122401 808182769 /nfs/dbraw/zinc/18/27/69/808182769.db2.gz APSNNTLJWOBJGL-BJWYYQGGSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122401 808182776 /nfs/dbraw/zinc/18/27/76/808182776.db2.gz APSNNTLJWOBJGL-BJWYYQGGSA-N 2 1 290.426 3.315 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172126968 808186243 /nfs/dbraw/zinc/18/62/43/808186243.db2.gz ZUVFMFGGAPOOKF-BWTSREIZSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172126968 808186249 /nfs/dbraw/zinc/18/62/49/808186249.db2.gz ZUVFMFGGAPOOKF-BWTSREIZSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172126968 808186253 /nfs/dbraw/zinc/18/62/53/808186253.db2.gz ZUVFMFGGAPOOKF-BWTSREIZSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172126968 808186258 /nfs/dbraw/zinc/18/62/58/808186258.db2.gz ZUVFMFGGAPOOKF-BWTSREIZSA-N 2 1 286.463 3.485 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3CCCC[C@H]3C1)C2 ZINC001172131314 808187865 /nfs/dbraw/zinc/18/78/65/808187865.db2.gz WCDCUDRLFZYFPO-VIQHNZTISA-N 2 1 262.441 3.124 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131254 808188065 /nfs/dbraw/zinc/18/80/65/808188065.db2.gz VNURUXNKRLHUSU-FZKCQIBNSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131254 808188069 /nfs/dbraw/zinc/18/80/69/808188069.db2.gz VNURUXNKRLHUSU-FZKCQIBNSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131254 808188073 /nfs/dbraw/zinc/18/80/73/808188073.db2.gz VNURUXNKRLHUSU-FZKCQIBNSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131254 808188077 /nfs/dbraw/zinc/18/80/77/808188077.db2.gz VNURUXNKRLHUSU-FZKCQIBNSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@@H]1C ZINC001172367801 808263410 /nfs/dbraw/zinc/26/34/10/808263410.db2.gz NHTKWCLQOIMLNT-OWCLPIDISA-N 3 1 297.531 3.286 20 0 CGADMP CCCCCC[C@@H](CCC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172385617 808279328 /nfs/dbraw/zinc/27/93/28/808279328.db2.gz IELCGBAOIHNADE-GOSISDBHSA-N 2 1 297.531 3.305 20 0 CGADMP CCOCC[C@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172425262 808305440 /nfs/dbraw/zinc/30/54/40/808305440.db2.gz UQQNQFGUOHLUKL-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172556505 808383945 /nfs/dbraw/zinc/38/39/45/808383945.db2.gz JHFQPFRUQXAFFZ-NRSFXHEJSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172556505 808383954 /nfs/dbraw/zinc/38/39/54/808383954.db2.gz JHFQPFRUQXAFFZ-NRSFXHEJSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)n1c[nH+]cc1CC[NH3+] ZINC001172870691 808470957 /nfs/dbraw/zinc/47/09/57/808470957.db2.gz LWOIRPJHQVYWFS-LLVKDONJSA-N 2 1 295.839 3.391 20 0 CGADMP CCCOC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001173096878 808508572 /nfs/dbraw/zinc/50/85/72/808508572.db2.gz UTSCMZFSLSAPAZ-AQEOSJORSA-N 2 1 296.499 3.433 20 0 CGADMP CCCOC1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001173101733 808508988 /nfs/dbraw/zinc/50/89/88/808508988.db2.gz RYXKQKOSCSXVPO-UHFFFAOYSA-N 2 1 291.439 3.260 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3CCCO[C@H]3C2)CC1 ZINC001173108355 808512503 /nfs/dbraw/zinc/51/25/03/808512503.db2.gz CPQGXPXGODFFQT-CPFNUKBASA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001173110341 808513130 /nfs/dbraw/zinc/51/31/30/808513130.db2.gz RVEVRJIGFSSACZ-CKUJCDMFSA-N 2 1 288.426 3.411 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](OC(C)C)C2)CC1 ZINC001173112947 808513951 /nfs/dbraw/zinc/51/39/51/808513951.db2.gz FJCCWEVFBYXBDU-JCYILVPMSA-N 2 1 282.472 3.139 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001173247281 808555664 /nfs/dbraw/zinc/55/56/64/808555664.db2.gz OANOGICQOUCLNZ-VQIMIIECSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001173247281 808555671 /nfs/dbraw/zinc/55/56/71/808555671.db2.gz OANOGICQOUCLNZ-VQIMIIECSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001173247281 808555678 /nfs/dbraw/zinc/55/56/78/808555678.db2.gz OANOGICQOUCLNZ-VQIMIIECSA-N 2 1 286.463 3.208 20 0 CGADMP CCSC[C@@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001173307609 808603082 /nfs/dbraw/zinc/60/30/82/808603082.db2.gz HJEDWDLSDFTYIV-CQSZACIVSA-N 2 1 293.480 3.090 20 0 CGADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCC(C)(C)C)(C1)CCC2 ZINC001275151907 808917149 /nfs/dbraw/zinc/91/71/49/808917149.db2.gz VAEXTLQMHJIFDI-MSOLQXFVSA-N 2 1 295.515 3.009 20 0 CGADMP Cn1c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc2ccccc21 ZINC001275415175 808936391 /nfs/dbraw/zinc/93/63/91/808936391.db2.gz XVKNGJOHROXXGO-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc2ccccc21 ZINC001275415175 808936397 /nfs/dbraw/zinc/93/63/97/808936397.db2.gz XVKNGJOHROXXGO-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cn1c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc2ccccc21 ZINC001275415175 808936400 /nfs/dbraw/zinc/93/64/00/808936400.db2.gz XVKNGJOHROXXGO-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cn1c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc2ccccc21 ZINC001275415175 808936404 /nfs/dbraw/zinc/93/64/04/808936404.db2.gz XVKNGJOHROXXGO-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)cs1)CC2 ZINC001276631426 809022416 /nfs/dbraw/zinc/02/24/16/809022416.db2.gz XFUMKPOXESHONG-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](CCc3ccccc3F)C2)C1 ZINC001276727655 809026700 /nfs/dbraw/zinc/02/67/00/809026700.db2.gz ZDIGLBVRFZFKSG-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCc3ccccc3F)C2)C1 ZINC001276727655 809026709 /nfs/dbraw/zinc/02/67/09/809026709.db2.gz ZDIGLBVRFZFKSG-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCc3ccccc3F)C2)C1 ZINC001276727655 809026717 /nfs/dbraw/zinc/02/67/17/809026717.db2.gz ZDIGLBVRFZFKSG-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCc3ccccc3F)C2)C1 ZINC001276727655 809026725 /nfs/dbraw/zinc/02/67/25/809026725.db2.gz ZDIGLBVRFZFKSG-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]2CC1 ZINC001276819139 809034087 /nfs/dbraw/zinc/03/40/87/809034087.db2.gz OJUBVIZGEVQVTR-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]2CC1 ZINC001276819139 809034094 /nfs/dbraw/zinc/03/40/94/809034094.db2.gz OJUBVIZGEVQVTR-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]2CC1 ZINC001276819139 809034101 /nfs/dbraw/zinc/03/41/01/809034101.db2.gz OJUBVIZGEVQVTR-KDURUIRLSA-N 2 1 284.447 3.338 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1c[nH]c3ccccc13)C2 ZINC001278166457 809117186 /nfs/dbraw/zinc/11/71/86/809117186.db2.gz GDWLTHUCPZDMAH-IBGZPJMESA-N 2 1 297.446 3.128 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001278166457 809117189 /nfs/dbraw/zinc/11/71/89/809117189.db2.gz GDWLTHUCPZDMAH-IBGZPJMESA-N 2 1 297.446 3.128 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001278166457 809117193 /nfs/dbraw/zinc/11/71/93/809117193.db2.gz GDWLTHUCPZDMAH-IBGZPJMESA-N 2 1 297.446 3.128 20 0 CGADMP CCc1ccccc1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001175069622 809259698 /nfs/dbraw/zinc/25/96/98/809259698.db2.gz FPYMAVCRTYQTPF-QZTJIDSGSA-N 2 1 272.436 3.023 20 0 CGADMP CC(C)C[C@@H](C)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177009116 809774642 /nfs/dbraw/zinc/77/46/42/809774642.db2.gz XUHDNHYKLWPAGR-ZACQAIPSSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177009116 809774644 /nfs/dbraw/zinc/77/46/44/809774644.db2.gz XUHDNHYKLWPAGR-ZACQAIPSSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177009116 809774647 /nfs/dbraw/zinc/77/46/47/809774647.db2.gz XUHDNHYKLWPAGR-ZACQAIPSSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001180092276 809973384 /nfs/dbraw/zinc/97/33/84/809973384.db2.gz LBRCSGMVXSCBJB-AEFFLSMTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001180092276 809973386 /nfs/dbraw/zinc/97/33/86/809973386.db2.gz LBRCSGMVXSCBJB-AEFFLSMTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC001180092276 809973389 /nfs/dbraw/zinc/97/33/89/809973389.db2.gz LBRCSGMVXSCBJB-AEFFLSMTSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC001180092276 809973392 /nfs/dbraw/zinc/97/33/92/809973392.db2.gz LBRCSGMVXSCBJB-AEFFLSMTSA-N 2 1 274.452 3.260 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001182307427 810103052 /nfs/dbraw/zinc/10/30/52/810103052.db2.gz AFPXMQGMCZONGS-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001182307427 810103054 /nfs/dbraw/zinc/10/30/54/810103054.db2.gz AFPXMQGMCZONGS-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)CC(C)(C)C ZINC001196489694 811350543 /nfs/dbraw/zinc/35/05/43/811350543.db2.gz SGMOHOPBTVMEPK-HOTGVXAUSA-N 2 1 284.488 3.101 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001197031575 811391379 /nfs/dbraw/zinc/39/13/79/811391379.db2.gz MHPHQHUTUQNFGO-CCKFTAQKSA-N 2 1 284.447 3.262 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001197031575 811391387 /nfs/dbraw/zinc/39/13/87/811391387.db2.gz MHPHQHUTUQNFGO-CCKFTAQKSA-N 2 1 284.447 3.262 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001197031575 811391398 /nfs/dbraw/zinc/39/13/98/811391398.db2.gz MHPHQHUTUQNFGO-CCKFTAQKSA-N 2 1 284.447 3.262 20 0 CGADMP C[C@H](CCc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001197701197 811447643 /nfs/dbraw/zinc/44/76/43/811447643.db2.gz FMDNUYNVCTZIHX-BPQIPLTHSA-N 2 1 272.436 3.176 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001198270487 811487488 /nfs/dbraw/zinc/48/74/88/811487488.db2.gz LLDNXGLKWDMTGF-INMHGKMJSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001198270487 811487491 /nfs/dbraw/zinc/48/74/91/811487491.db2.gz LLDNXGLKWDMTGF-INMHGKMJSA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC001199144642 811560602 /nfs/dbraw/zinc/56/06/02/811560602.db2.gz UFWTVRKJHMPCGA-UHFFFAOYSA-N 2 1 282.378 3.175 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001199336779 811572979 /nfs/dbraw/zinc/57/29/79/811572979.db2.gz WVALLDIZDLONFV-FGTMMUONSA-N 2 1 296.499 3.293 20 0 CGADMP CCC[C@@H](C[NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC001199874457 811602351 /nfs/dbraw/zinc/60/23/51/811602351.db2.gz JBANNNBLQQTFCI-KRWDZBQOSA-N 2 1 271.408 3.365 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001201495576 811864320 /nfs/dbraw/zinc/86/43/20/811864320.db2.gz DXQOYANOMBUWNN-SJORKVTESA-N 2 1 264.457 3.397 20 0 CGADMP CC(C)=CCC[C@@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001201495576 811864328 /nfs/dbraw/zinc/86/43/28/811864328.db2.gz DXQOYANOMBUWNN-SJORKVTESA-N 2 1 264.457 3.397 20 0 CGADMP CC(C)=CCC[C@@H](C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001201495576 811864336 /nfs/dbraw/zinc/86/43/36/811864336.db2.gz DXQOYANOMBUWNN-SJORKVTESA-N 2 1 264.457 3.397 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001202655152 812147330 /nfs/dbraw/zinc/14/73/30/812147330.db2.gz KJMXKIZIIDCDSM-SOUVJXGZSA-N 2 1 272.502 3.371 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001202655152 812147332 /nfs/dbraw/zinc/14/73/32/812147332.db2.gz KJMXKIZIIDCDSM-SOUVJXGZSA-N 2 1 272.502 3.371 20 0 CGADMP CCO[C@@H](C[NH2+]C1CCC2(CCCCC2)CC1)C[NH+](C)C ZINC001203633982 812412706 /nfs/dbraw/zinc/41/27/06/812412706.db2.gz MKYCYERMCZMVQJ-KRWDZBQOSA-N 2 1 296.499 3.436 20 0 CGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1C ZINC001203719175 812440382 /nfs/dbraw/zinc/44/03/82/812440382.db2.gz IQGWKYKEDSKLNX-UHFFFAOYSA-N 2 1 290.451 3.086 20 0 CGADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(C)c1C ZINC001203724811 812442039 /nfs/dbraw/zinc/44/20/39/812442039.db2.gz NJTAIPLOQRWTGS-UHFFFAOYSA-N 2 1 290.451 3.230 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1C ZINC001203724811 812442044 /nfs/dbraw/zinc/44/20/44/812442044.db2.gz NJTAIPLOQRWTGS-UHFFFAOYSA-N 2 1 290.451 3.230 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccs2)CC1 ZINC001204012871 812518983 /nfs/dbraw/zinc/51/89/83/812518983.db2.gz SPUJMIIOIFDMRY-UHFFFAOYSA-N 2 1 287.432 3.191 20 0 CGADMP Cc1cc(N2CC[NH+](Cc3cccc(F)c3C)CC2)cc[nH+]1 ZINC001204514528 812662525 /nfs/dbraw/zinc/66/25/25/812662525.db2.gz YGIFGZVRCGOEOO-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(C)c1 ZINC001204524668 812666321 /nfs/dbraw/zinc/66/63/21/812666321.db2.gz NZGWSLWHOBSLIY-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(C)n1 ZINC001204689518 812708645 /nfs/dbraw/zinc/70/86/45/812708645.db2.gz DNFFYMADJLBHSU-GOSISDBHSA-N 2 1 287.451 3.149 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(C)n1 ZINC001204689518 812708648 /nfs/dbraw/zinc/70/86/48/812708648.db2.gz DNFFYMADJLBHSU-GOSISDBHSA-N 2 1 287.451 3.149 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734954 812720142 /nfs/dbraw/zinc/72/01/42/812720142.db2.gz HBWXICSIHHQZIS-UHFFFAOYSA-N 2 1 297.446 3.442 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735191 812720225 /nfs/dbraw/zinc/72/02/25/812720225.db2.gz NLUKAWAVFBJBGI-UHFFFAOYSA-N 2 1 297.446 3.442 20 0 CGADMP Fc1cc(F)c(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735375 812720490 /nfs/dbraw/zinc/72/04/90/812720490.db2.gz RQYAWLMQHOAYGP-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP Fc1cc(F)c(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735375 812720498 /nfs/dbraw/zinc/72/04/98/812720498.db2.gz RQYAWLMQHOAYGP-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742196 812723322 /nfs/dbraw/zinc/72/33/22/812723322.db2.gz KCGCRTBSQGKZBL-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCCC3(CC[NH2+]CC3)C1)NCCC2 ZINC001204742501 812724147 /nfs/dbraw/zinc/72/41/47/812724147.db2.gz PQXSYZKHNACFTL-UHFFFAOYSA-N 2 1 299.462 3.010 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(C)c1C ZINC001204790814 812737284 /nfs/dbraw/zinc/73/72/84/812737284.db2.gz MZYCODXRJZYHPQ-QGZVFWFLSA-N 2 1 260.425 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@](C)([NH3+])C2)c(C)c1C ZINC001204790814 812737289 /nfs/dbraw/zinc/73/72/89/812737289.db2.gz MZYCODXRJZYHPQ-QGZVFWFLSA-N 2 1 260.425 3.152 20 0 CGADMP F[C@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001204847588 812753290 /nfs/dbraw/zinc/75/32/90/812753290.db2.gz DCOUZDWKGNTQHW-AWEZNQCLSA-N 2 1 292.389 3.368 20 0 CGADMP F[C@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001204847588 812753293 /nfs/dbraw/zinc/75/32/93/812753293.db2.gz DCOUZDWKGNTQHW-AWEZNQCLSA-N 2 1 292.389 3.368 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2cccccc1-2 ZINC001204931798 812780947 /nfs/dbraw/zinc/78/09/47/812780947.db2.gz FFADSNHXXYKNHZ-MRXNPFEDSA-N 2 1 254.377 3.105 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001204931798 812780955 /nfs/dbraw/zinc/78/09/55/812780955.db2.gz FFADSNHXXYKNHZ-MRXNPFEDSA-N 2 1 254.377 3.105 20 0 CGADMP CN(C)c1ccc2cc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)ccc2c1 ZINC001204947363 812793086 /nfs/dbraw/zinc/79/30/86/812793086.db2.gz XTQJVIOXKVULRP-LJQANCHMSA-N 2 1 297.446 3.219 20 0 CGADMP CN(C)c1ccc2cc(C[N@H+]3CCC[C@@](C)([NH3+])C3)ccc2c1 ZINC001204947363 812793088 /nfs/dbraw/zinc/79/30/88/812793088.db2.gz XTQJVIOXKVULRP-LJQANCHMSA-N 2 1 297.446 3.219 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001205008826 812822455 /nfs/dbraw/zinc/82/24/55/812822455.db2.gz DGMGQYJLKRHTMN-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001205008826 812822464 /nfs/dbraw/zinc/82/24/64/812822464.db2.gz DGMGQYJLKRHTMN-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)c(C)c2C)C1 ZINC001205008463 812822954 /nfs/dbraw/zinc/82/29/54/812822954.db2.gz BDCZMEGRKQBJHI-MRXNPFEDSA-N 2 1 290.451 3.052 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001205018872 812827679 /nfs/dbraw/zinc/82/76/79/812827679.db2.gz ZMCGKLKVWOCMSJ-AWEZNQCLSA-N 2 1 286.394 3.410 20 0 CGADMP C[C@H]1CC[C@@H](CN)[N@H+]1CCCc1cccc(Cl)c1 ZINC001205058018 812841175 /nfs/dbraw/zinc/84/11/75/812841175.db2.gz CDMXIFPZZBXKIF-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1cccc(Cl)c1 ZINC001205058018 812841192 /nfs/dbraw/zinc/84/11/92/812841192.db2.gz CDMXIFPZZBXKIF-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205068678 812847467 /nfs/dbraw/zinc/84/74/67/812847467.db2.gz MIVDCDMMEVVAOD-HOCLYGCPSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205068678 812847472 /nfs/dbraw/zinc/84/74/72/812847472.db2.gz MIVDCDMMEVVAOD-HOCLYGCPSA-N 2 1 268.404 3.460 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205130372 812880420 /nfs/dbraw/zinc/88/04/20/812880420.db2.gz CGISPUNJHGSSRS-HRCADAONSA-N 2 1 252.446 3.286 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001205093893 812858977 /nfs/dbraw/zinc/85/89/77/812858977.db2.gz HMOSOAKUBICDHS-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([NH3+])CC1)c1ccccc1 ZINC001205094436 812859658 /nfs/dbraw/zinc/85/96/58/812859658.db2.gz LWRPXZLGMHXZKI-INIZCTEOSA-N 2 1 260.425 3.168 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c2ccccc12 ZINC001205101493 812865136 /nfs/dbraw/zinc/86/51/36/812865136.db2.gz GUWAAZKJZCPYIU-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001205102416 812866376 /nfs/dbraw/zinc/86/63/76/812866376.db2.gz RRPUWIHBZKKOOQ-QGZVFWFLSA-N 2 1 281.403 3.062 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC001205110471 812871140 /nfs/dbraw/zinc/87/11/40/812871140.db2.gz SVQMBARXRZXUKT-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123408 812876433 /nfs/dbraw/zinc/87/64/33/812876433.db2.gz ATKIXEHLRILWLV-QGZVFWFLSA-N 2 1 284.403 3.162 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001205164678 812895174 /nfs/dbraw/zinc/89/51/74/812895174.db2.gz MXYHWRYTQZUSNS-UHFFFAOYSA-N 2 1 298.455 3.261 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)Cc2ccccc21 ZINC001205164985 812895297 /nfs/dbraw/zinc/89/52/97/812895297.db2.gz ZDXCDQDUYFIEDN-HNNXBMFYSA-N 2 1 292.426 3.452 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(Br)c2)CC1 ZINC001205257859 812919345 /nfs/dbraw/zinc/91/93/45/812919345.db2.gz XUGQDPHHJGEHBB-AWEZNQCLSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(Br)c2)CC1 ZINC001205257859 812919349 /nfs/dbraw/zinc/91/93/49/812919349.db2.gz XUGQDPHHJGEHBB-AWEZNQCLSA-N 2 1 297.240 3.152 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cc2c1 ZINC001205263664 812920780 /nfs/dbraw/zinc/92/07/80/812920780.db2.gz BHTBLMOXNILUQD-QGZVFWFLSA-N 2 1 288.391 3.145 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264780 812922555 /nfs/dbraw/zinc/92/25/55/812922555.db2.gz MFYTVVBJKHGBPA-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264780 812922556 /nfs/dbraw/zinc/92/25/56/812922556.db2.gz MFYTVVBJKHGBPA-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273665 812926623 /nfs/dbraw/zinc/92/66/23/812926623.db2.gz NYSVMOQWWYVVHR-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3occc32)CC1 ZINC001205287938 812931668 /nfs/dbraw/zinc/93/16/68/812931668.db2.gz DUFGUVMTQFKWDV-INIZCTEOSA-N 2 1 258.365 3.136 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205288631 812931701 /nfs/dbraw/zinc/93/17/01/812931701.db2.gz MIUHJKKVZXPGSZ-HNNXBMFYSA-N 2 1 284.806 3.491 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205288631 812931706 /nfs/dbraw/zinc/93/17/06/812931706.db2.gz MIUHJKKVZXPGSZ-HNNXBMFYSA-N 2 1 284.806 3.491 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288908 812932988 /nfs/dbraw/zinc/93/29/88/812932988.db2.gz PZBJNTFJDGYHNH-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C(C)C ZINC001205303836 812942090 /nfs/dbraw/zinc/94/20/90/812942090.db2.gz LLIREUZDHGHNQO-GDBMZVCRSA-N 2 1 290.451 3.235 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc21 ZINC001205303626 812942458 /nfs/dbraw/zinc/94/24/58/812942458.db2.gz ISYKQICAVKUDSE-YOEHRIQHSA-N 2 1 285.435 3.078 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C[C@H]1C[NH3+] ZINC001205304349 812942731 /nfs/dbraw/zinc/94/27/31/812942731.db2.gz OATJGLOZCNYJEY-MAUKXSAKSA-N 2 1 295.430 3.165 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205314857 812947602 /nfs/dbraw/zinc/94/76/02/812947602.db2.gz CTNCXUPNBNQEDR-IAQYHMDHSA-N 2 1 280.843 3.374 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205331012 812958857 /nfs/dbraw/zinc/95/88/57/812958857.db2.gz CDMBCSKPZDNUKJ-OAHLLOKOSA-N 2 1 297.446 3.090 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205331012 812958862 /nfs/dbraw/zinc/95/88/62/812958862.db2.gz CDMBCSKPZDNUKJ-OAHLLOKOSA-N 2 1 297.446 3.090 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001205571366 813007841 /nfs/dbraw/zinc/00/78/41/813007841.db2.gz TWTJPTGJIJMBMH-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP C[C@H]1CC[N@@H+](CC2(c3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001205600928 813017864 /nfs/dbraw/zinc/01/78/64/813017864.db2.gz CLXIRCRQXCCMFQ-JKSUJKDBSA-N 2 1 272.436 3.025 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC001205602027 813018204 /nfs/dbraw/zinc/01/82/04/813018204.db2.gz HQNJZUDJYAWQSP-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2sccc2Cl)CC[C@@H]1C[NH3+] ZINC001205602562 813019331 /nfs/dbraw/zinc/01/93/31/813019331.db2.gz JSCLOHPLBDMXHK-GHMZBOCLSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205604762 813021312 /nfs/dbraw/zinc/02/13/12/813021312.db2.gz WUCXUTQPGNCCPI-OCCSQVGLSA-N 2 1 298.833 3.328 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CC[C@H]1C[NH3+] ZINC001205618098 813028466 /nfs/dbraw/zinc/02/84/66/813028466.db2.gz RKBWSIYLGKZQFO-KBPBESRZSA-N 2 1 277.456 3.119 20 0 CGADMP COc1c(C)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205618062 813028603 /nfs/dbraw/zinc/02/86/03/813028603.db2.gz RDGKJBSYJNOJIV-CXAGYDPISA-N 2 1 290.451 3.119 20 0 CGADMP COc1c(C)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1C ZINC001205618064 813028689 /nfs/dbraw/zinc/02/86/89/813028689.db2.gz RDGKJBSYJNOJIV-GUYCJALGSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)CC[C@H]1C[NH3+] ZINC001205618629 813029824 /nfs/dbraw/zinc/02/98/24/813029824.db2.gz XUPDWHBBLWVTJT-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)ccc2n1 ZINC001205626000 813031992 /nfs/dbraw/zinc/03/19/92/813031992.db2.gz DOQRQJLOYYFOOH-RDTXWAMCSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC[C@H]1C[NH3+] ZINC001205651160 813043174 /nfs/dbraw/zinc/04/31/74/813043174.db2.gz AQQZONVKWJBVDO-ZBFHGGJFSA-N 2 1 299.418 3.148 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc3cc[nH]c32)CC[C@H]1C[NH3+] ZINC001205665795 813047237 /nfs/dbraw/zinc/04/72/37/813047237.db2.gz VKKXZQSXYOVCAS-OCCSQVGLSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cccc2c(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c[nH]c21 ZINC001205802984 813082848 /nfs/dbraw/zinc/08/28/48/813082848.db2.gz DRFNUVHVFNEHLF-IUODEOHRSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2c(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c[nH]c21 ZINC001205802984 813082860 /nfs/dbraw/zinc/08/28/60/813082860.db2.gz DRFNUVHVFNEHLF-IUODEOHRSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205816760 813093234 /nfs/dbraw/zinc/09/32/34/813093234.db2.gz OCYJTVWCUAZUIW-HIFRSBDPSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205816760 813093238 /nfs/dbraw/zinc/09/32/38/813093238.db2.gz OCYJTVWCUAZUIW-HIFRSBDPSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@]1(F)CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001205863192 813113005 /nfs/dbraw/zinc/11/30/05/813113005.db2.gz ITDUCGXHLSVDBM-KRWDZBQOSA-N 2 1 276.399 3.046 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)ccc2c1 ZINC001205901347 813122466 /nfs/dbraw/zinc/12/24/66/813122466.db2.gz COGNAFHWOCHXOH-GDBMZVCRSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCc1ccccc1 ZINC001205901707 813122775 /nfs/dbraw/zinc/12/27/75/813122775.db2.gz FNCUKTJYYOKAKY-WBVHZDCISA-N 2 1 260.425 3.069 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205901591 813123242 /nfs/dbraw/zinc/12/32/42/813123242.db2.gz DMYUKNJGMQJABA-QWRGUYRKSA-N 2 1 272.845 3.269 20 0 CGADMP Cc1csc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205901591 813123249 /nfs/dbraw/zinc/12/32/49/813123249.db2.gz DMYUKNJGMQJABA-QWRGUYRKSA-N 2 1 272.845 3.269 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)[nH]c2ccccc21 ZINC001205902074 813123948 /nfs/dbraw/zinc/12/39/48/813123948.db2.gz HQDJELNHDDLTTI-RYUDHWBXSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205902195 813125150 /nfs/dbraw/zinc/12/51/50/813125150.db2.gz IJOJBPWKNABLPO-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001205904285 813125741 /nfs/dbraw/zinc/12/57/41/813125741.db2.gz UHVKNGUKWRPRJM-CXAGYDPISA-N 2 1 284.403 3.105 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H]3C)ccc2c1 ZINC001205904849 813128302 /nfs/dbraw/zinc/12/83/02/813128302.db2.gz XESOHJMSXKTPQJ-KDOFPFPSSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205912628 813129921 /nfs/dbraw/zinc/12/99/21/813129921.db2.gz BFWJSHUINMAGIZ-RYUDHWBXSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c2ccoc21 ZINC001205914084 813131405 /nfs/dbraw/zinc/13/14/05/813131405.db2.gz KXESHPSYLZDMNG-VXGBXAGGSA-N 2 1 276.355 3.131 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1Cl ZINC001205916651 813133291 /nfs/dbraw/zinc/13/32/91/813133291.db2.gz VPNCZXOYKGCMDV-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205916100 813133313 /nfs/dbraw/zinc/13/33/13/813133313.db2.gz RTDOJPXYWJTNPA-YOEHRIQHSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001205922840 813134252 /nfs/dbraw/zinc/13/42/52/813134252.db2.gz BNRLJQCIMFIVCW-KRWDZBQOSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001205922840 813134254 /nfs/dbraw/zinc/13/42/54/813134254.db2.gz BNRLJQCIMFIVCW-KRWDZBQOSA-N 2 1 260.425 3.287 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001205923086 813135616 /nfs/dbraw/zinc/13/56/16/813135616.db2.gz IHGDULYYIWWQCF-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001205923086 813135623 /nfs/dbraw/zinc/13/56/23/813135623.db2.gz IHGDULYYIWWQCF-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205980998 813151239 /nfs/dbraw/zinc/15/12/39/813151239.db2.gz AQIQXBABDYFDKD-HZPDHXFCSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1C[N@@H+](CCC2CCCCC2)CCC[C@H]1C[NH3+] ZINC001205982205 813151298 /nfs/dbraw/zinc/15/12/98/813151298.db2.gz LNZJAQCWHIBBBR-HOCLYGCPSA-N 2 1 252.446 3.264 20 0 CGADMP CC(C)CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001205990109 813153441 /nfs/dbraw/zinc/15/34/41/813153441.db2.gz OXTVNZHKVCOGBC-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001205990109 813153445 /nfs/dbraw/zinc/15/34/45/813153445.db2.gz OXTVNZHKVCOGBC-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)CCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001205990109 813153448 /nfs/dbraw/zinc/15/34/48/813153448.db2.gz OXTVNZHKVCOGBC-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1F ZINC001205991302 813153664 /nfs/dbraw/zinc/15/36/64/813153664.db2.gz ABVRSJRDKCJNBW-OLZOCXBDSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205992000 813155294 /nfs/dbraw/zinc/15/52/94/813155294.db2.gz CTQPQLUSZLMVEQ-JSGCOSHPSA-N 2 1 266.816 3.147 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3F)CCC[C@H]1C[NH3+] ZINC001205997080 813157688 /nfs/dbraw/zinc/15/76/88/813157688.db2.gz ZQYQGQQQVCBRED-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC001206003608 813160735 /nfs/dbraw/zinc/16/07/35/813160735.db2.gz KFDDWHPNPLLGAN-RYUDHWBXSA-N 2 1 284.494 3.277 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206005203 813162302 /nfs/dbraw/zinc/16/23/02/813162302.db2.gz WYWFBIFTVOYICK-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cccc3)cc2)CCC[C@@H]1C[NH3+] ZINC001206011578 813163738 /nfs/dbraw/zinc/16/37/38/813163738.db2.gz DYMRGCVJNHCPAN-FUHWJXTLSA-N 2 1 297.446 3.284 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206013539 813164676 /nfs/dbraw/zinc/16/46/76/813164676.db2.gz RZXOBAJPKQZXQZ-WCQYABFASA-N 2 1 282.378 3.080 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206012594 813165149 /nfs/dbraw/zinc/16/51/49/813165149.db2.gz MSZJFNGSJBNTNE-KGLIPLIRSA-N 2 1 278.465 3.215 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(F)c1F ZINC001206015043 813166481 /nfs/dbraw/zinc/16/64/81/813166481.db2.gz ZRQUEJAKMXMIMA-TZMCWYRMSA-N 2 1 282.378 3.080 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206014513 813166501 /nfs/dbraw/zinc/16/65/01/813166501.db2.gz XEANSGKCKRRRIL-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206024146 813169197 /nfs/dbraw/zinc/16/91/97/813169197.db2.gz IAWNCZRYNOACCC-ZFWWWQNUSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c3cc[nH]c32)CCC[C@@H]1C[NH3+] ZINC001206036509 813175270 /nfs/dbraw/zinc/17/52/70/813175270.db2.gz KMPAYUAHLKDGNV-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)cccc2n1 ZINC001206036387 813175472 /nfs/dbraw/zinc/17/54/72/813175472.db2.gz JAMIFDMZIXXLPS-GOEBONIOSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206036414 813176458 /nfs/dbraw/zinc/17/64/58/813176458.db2.gz JIBJLVKADOHOOB-SHPPOPEUSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206036414 813176463 /nfs/dbraw/zinc/17/64/63/813176463.db2.gz JIBJLVKADOHOOB-SHPPOPEUSA-N 2 1 278.827 3.113 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154169 813216327 /nfs/dbraw/zinc/21/63/27/813216327.db2.gz HDVDKYPBQCPJID-VUBDOFJKSA-N 2 1 256.409 3.274 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154169 813216331 /nfs/dbraw/zinc/21/63/31/813216331.db2.gz HDVDKYPBQCPJID-VUBDOFJKSA-N 2 1 256.409 3.274 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)CC[C@@H]1F ZINC001206199736 813235978 /nfs/dbraw/zinc/23/59/78/813235978.db2.gz PLZUDUCPKHVVDQ-IRXDYDNUSA-N 2 1 290.357 3.240 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c[nH]c2c1 ZINC001206303748 813280257 /nfs/dbraw/zinc/28/02/57/813280257.db2.gz GJGVGYDIOWHKNU-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001206305186 813281625 /nfs/dbraw/zinc/28/16/25/813281625.db2.gz VSQCLJLIAXXUHG-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC001206305421 813281931 /nfs/dbraw/zinc/28/19/31/813281931.db2.gz YYWIGBCUAXJLCH-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3scnc3c2)CC1 ZINC001206318071 813286753 /nfs/dbraw/zinc/28/67/53/813286753.db2.gz LZGYNSXKOUDKNT-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc(F)c1F ZINC001206324829 813288497 /nfs/dbraw/zinc/28/84/97/813288497.db2.gz DPVKEKXTROTBOM-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206324879 813290137 /nfs/dbraw/zinc/29/01/37/813290137.db2.gz FHTFIWYZOYGFCJ-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206548086 813346956 /nfs/dbraw/zinc/34/69/56/813346956.db2.gz FWJLDWYQJYCZAB-LJQANCHMSA-N 2 1 298.430 3.496 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC001206549792 813347710 /nfs/dbraw/zinc/34/77/10/813347710.db2.gz PVYROSPKDZZATG-MRXNPFEDSA-N 2 1 298.377 3.239 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c[nH]c21 ZINC001206549852 813347912 /nfs/dbraw/zinc/34/79/12/813347912.db2.gz RAVBUFKUVBSTPA-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589986 813368005 /nfs/dbraw/zinc/36/80/05/813368005.db2.gz KBEWNMNWSCGOJF-KRWDZBQOSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206616967 813375683 /nfs/dbraw/zinc/37/56/83/813375683.db2.gz VLSVPUZIPSXXHH-HNNXBMFYSA-N 2 1 276.424 3.035 20 0 CGADMP CC[C@H]([NH3+])C[NH+]1CCC(Cc2cccc(Cl)c2)CC1 ZINC001206704409 813402173 /nfs/dbraw/zinc/40/21/73/813402173.db2.gz SDTJJYSERCRNQG-INIZCTEOSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccc(F)cc1Cl ZINC001206760890 813426380 /nfs/dbraw/zinc/42/63/80/813426380.db2.gz NCYVYIWWUMEWLS-RYUDHWBXSA-N 2 1 284.806 3.081 20 0 CGADMP COc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(C)c1C ZINC001206767824 813430529 /nfs/dbraw/zinc/43/05/29/813430529.db2.gz FOJMFPVOUOGGJE-XJKSGUPXSA-N 2 1 290.451 3.180 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206769239 813432538 /nfs/dbraw/zinc/43/25/38/813432538.db2.gz NNPYUOUDYJXUIY-GXTWGEPZSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206769239 813432542 /nfs/dbraw/zinc/43/25/42/813432542.db2.gz NNPYUOUDYJXUIY-GXTWGEPZSA-N 2 1 296.842 3.298 20 0 CGADMP Cc1nc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cs1 ZINC001206801816 813440237 /nfs/dbraw/zinc/44/02/37/813440237.db2.gz MIPICCUJXJSBBN-UHFFFAOYSA-N 2 1 293.480 3.005 20 0 CGADMP Cc1ncccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001207154613 813499560 /nfs/dbraw/zinc/49/95/60/813499560.db2.gz XWMNZKNBMJOFBI-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ncccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001207154613 813499562 /nfs/dbraw/zinc/49/95/62/813499562.db2.gz XWMNZKNBMJOFBI-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ncccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001207154613 813499566 /nfs/dbraw/zinc/49/95/66/813499566.db2.gz XWMNZKNBMJOFBI-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207441882 813566110 /nfs/dbraw/zinc/56/61/10/813566110.db2.gz NQGJDSUYAQYIKT-GOSISDBHSA-N 2 1 286.463 3.331 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1F)CC1(C)CC[NH+](C)CC1 ZINC001208112150 813694234 /nfs/dbraw/zinc/69/42/34/813694234.db2.gz RVXVKAIZDVTVKU-UHFFFAOYSA-N 2 1 282.378 3.129 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001208170952 813724027 /nfs/dbraw/zinc/72/40/27/813724027.db2.gz VGOQONONVOHNID-HZPDHXFCSA-N 2 1 262.441 3.149 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208187439 813737337 /nfs/dbraw/zinc/73/73/37/813737337.db2.gz KZJFVQGTRQKHKS-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001208599861 813770760 /nfs/dbraw/zinc/77/07/60/813770760.db2.gz DLXZAKXWHNGQGX-UHFFFAOYSA-N 2 1 282.447 3.323 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001208599764 813770874 /nfs/dbraw/zinc/77/08/74/813770874.db2.gz LYESCTLXEGBGRC-IBGZPJMESA-N 2 1 286.463 3.283 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001208598559 813771288 /nfs/dbraw/zinc/77/12/88/813771288.db2.gz SIBUCWGDEHSBPA-QGZVFWFLSA-N 2 1 290.426 3.347 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208599970 813771993 /nfs/dbraw/zinc/77/19/93/813771993.db2.gz MZTFHXQSUYJUCE-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP CC1(F)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947690 813906330 /nfs/dbraw/zinc/90/63/30/813906330.db2.gz LYQUTARFKBZLPP-KRWDZBQOSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H]1C[C@@H](CF)[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941514 813907946 /nfs/dbraw/zinc/90/79/46/813907946.db2.gz LCQFUKALAPVOQC-JQHSSLGASA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H]1C[C@@H](CF)[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941514 813907952 /nfs/dbraw/zinc/90/79/52/813907952.db2.gz LCQFUKALAPVOQC-JQHSSLGASA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H]1C[C@@H](CF)[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941514 813907960 /nfs/dbraw/zinc/90/79/60/813907960.db2.gz LCQFUKALAPVOQC-JQHSSLGASA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H]1C[C@@H](CF)[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941514 813907968 /nfs/dbraw/zinc/90/79/68/813907968.db2.gz LCQFUKALAPVOQC-JQHSSLGASA-N 2 1 290.426 3.188 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208955233 813910188 /nfs/dbraw/zinc/91/01/88/813910188.db2.gz YXKWMWPFFAOYEL-SCTDSRPQSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@@H]1C[C@H](C)C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208955233 813910192 /nfs/dbraw/zinc/91/01/92/813910192.db2.gz YXKWMWPFFAOYEL-SCTDSRPQSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@@H]1C[C@H](C)C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208955233 813910197 /nfs/dbraw/zinc/91/01/97/813910197.db2.gz YXKWMWPFFAOYEL-SCTDSRPQSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209420421 814022361 /nfs/dbraw/zinc/02/23/61/814022361.db2.gz DFAPGFDKIOVWBJ-APWZRJJASA-N 2 1 286.463 3.486 20 0 CGADMP COc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c2ccccc12 ZINC001210473329 814477992 /nfs/dbraw/zinc/47/79/92/814477992.db2.gz CTFLVWHLZYFEAS-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c2ccccc12 ZINC001210473329 814477993 /nfs/dbraw/zinc/47/79/93/814477993.db2.gz CTFLVWHLZYFEAS-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210498709 814490942 /nfs/dbraw/zinc/49/09/42/814490942.db2.gz RMWOTNRLFJZAJC-GFCCVEGCSA-N 2 1 286.341 3.198 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210498709 814490945 /nfs/dbraw/zinc/49/09/45/814490945.db2.gz RMWOTNRLFJZAJC-GFCCVEGCSA-N 2 1 286.341 3.198 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)CC[NH2+]1 ZINC001210499199 814491018 /nfs/dbraw/zinc/49/10/18/814491018.db2.gz SPNSRRLLAIFRPJ-HNNXBMFYSA-N 2 1 297.446 3.090 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)CC[NH2+]1 ZINC001210499199 814491022 /nfs/dbraw/zinc/49/10/22/814491022.db2.gz SPNSRRLLAIFRPJ-HNNXBMFYSA-N 2 1 297.446 3.090 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210498711 814491321 /nfs/dbraw/zinc/49/13/21/814491321.db2.gz RMWOTNRLFJZAJC-LBPRGKRZSA-N 2 1 286.341 3.198 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210498711 814491324 /nfs/dbraw/zinc/49/13/24/814491324.db2.gz RMWOTNRLFJZAJC-LBPRGKRZSA-N 2 1 286.341 3.198 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141427 816357360 /nfs/dbraw/zinc/35/73/60/816357360.db2.gz LNWZZHGKKYTCEI-IBGZPJMESA-N 2 1 286.463 3.475 20 0 CGADMP CC(C)(C)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154188 816361818 /nfs/dbraw/zinc/36/18/18/816361818.db2.gz HXYXBYGSPLGURI-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CC[C@H](C)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155228 816362657 /nfs/dbraw/zinc/36/26/57/816362657.db2.gz YHBYXPRPVGSEJY-JKSUJKDBSA-N 2 1 252.446 3.278 20 0 CGADMP COC(C)(C)CC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161090 816365461 /nfs/dbraw/zinc/36/54/61/816365461.db2.gz LAVBVVNGOISLRK-KRWDZBQOSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001222237708 816383180 /nfs/dbraw/zinc/38/31/80/816383180.db2.gz QQCAXROABROMOD-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001222237708 816383190 /nfs/dbraw/zinc/38/31/90/816383190.db2.gz QQCAXROABROMOD-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(C)c1C ZINC001222237609 816383860 /nfs/dbraw/zinc/38/38/60/816383860.db2.gz NZLWXIIYRUQBET-SFHVURJKSA-N 2 1 288.435 3.030 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(C)c1C ZINC001222237609 816383867 /nfs/dbraw/zinc/38/38/67/816383867.db2.gz NZLWXIIYRUQBET-SFHVURJKSA-N 2 1 288.435 3.030 20 0 CGADMP CCc1cccc2c(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001222242111 816384685 /nfs/dbraw/zinc/38/46/85/816384685.db2.gz ALLCSFAHMNKBDA-LJQANCHMSA-N 2 1 297.446 3.448 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001222242111 816384691 /nfs/dbraw/zinc/38/46/91/816384691.db2.gz ALLCSFAHMNKBDA-LJQANCHMSA-N 2 1 297.446 3.448 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2o1 ZINC001222278073 816393437 /nfs/dbraw/zinc/39/34/37/816393437.db2.gz XBBKWMMCMBVWRZ-SFHVURJKSA-N 2 1 284.403 3.398 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222308577 816403681 /nfs/dbraw/zinc/40/36/81/816403681.db2.gz JXDXWANBRQCEJG-MRXNPFEDSA-N 2 1 278.827 3.448 20 0 CGADMP COc1cc(C)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222314560 816406439 /nfs/dbraw/zinc/40/64/39/816406439.db2.gz HUGWADPTBNJFTQ-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP CC1=CC[C@H](CC[NH+]2CC3(C2)CCC[NH2+]C3)C1(C)C ZINC001222335236 816410977 /nfs/dbraw/zinc/41/09/77/816410977.db2.gz AVRHDSBUUGOWRD-OAHLLOKOSA-N 2 1 262.441 3.054 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222464724 816450040 /nfs/dbraw/zinc/45/00/40/816450040.db2.gz DJFVBOXAOOHGMF-GOSISDBHSA-N 2 1 272.436 3.182 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222464724 816450046 /nfs/dbraw/zinc/45/00/46/816450046.db2.gz DJFVBOXAOOHGMF-GOSISDBHSA-N 2 1 272.436 3.182 20 0 CGADMP Fc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595558 816474163 /nfs/dbraw/zinc/47/41/63/816474163.db2.gz CRFULOLBOAQJEJ-QGZVFWFLSA-N 2 1 296.389 3.015 20 0 CGADMP Fc1ccccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595558 816474166 /nfs/dbraw/zinc/47/41/66/816474166.db2.gz CRFULOLBOAQJEJ-QGZVFWFLSA-N 2 1 296.389 3.015 20 0 CGADMP Cc1c(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cccc1C(F)(F)F ZINC001222620242 816479084 /nfs/dbraw/zinc/47/90/84/816479084.db2.gz INMHHJSDRDYXMN-SWLSCSKDSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1c(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cccc1C(F)(F)F ZINC001222620242 816479088 /nfs/dbraw/zinc/47/90/88/816479088.db2.gz INMHHJSDRDYXMN-SWLSCSKDSA-N 2 1 298.352 3.198 20 0 CGADMP C[NH2+]Cc1ccc(-c2ccc([C@H]3CC[N@@H+](C)C3)cc2)cc1 ZINC001242993474 823202156 /nfs/dbraw/zinc/20/21/56/823202156.db2.gz FILPHPLZEROFDG-IBGZPJMESA-N 2 1 280.415 3.492 20 0 CGADMP C[NH+](C)CC[C@@H](O[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001224133918 816738778 /nfs/dbraw/zinc/73/87/78/816738778.db2.gz OJUXHIVHOHIXFF-QZTJIDSGSA-N 2 1 290.451 3.180 20 0 CGADMP CCOC(=[NH2+])CCCCO[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001224966779 816920380 /nfs/dbraw/zinc/92/03/80/816920380.db2.gz SQQPPYDGCAYPCF-HDJSIYSDSA-N 2 1 270.417 3.060 20 0 CGADMP Clc1ccccc1CCC[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786352 817464320 /nfs/dbraw/zinc/46/43/20/817464320.db2.gz ZTQAJSPYPNAXGT-UHFFFAOYSA-N 2 1 292.854 3.491 20 0 CGADMP CCOc1ccc(C)c(C[NH+]2CCC3(CCC[NH2+]3)CC2)c1 ZINC001228556179 817936722 /nfs/dbraw/zinc/93/67/22/817936722.db2.gz KWLUYTNQBMJUGS-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC001232080157 818246683 /nfs/dbraw/zinc/24/66/83/818246683.db2.gz CSMFVMVQGWTQQZ-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CCC(C)(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC001232080157 818246690 /nfs/dbraw/zinc/24/66/90/818246690.db2.gz CSMFVMVQGWTQQZ-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CCC(C)(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC001232080157 818246697 /nfs/dbraw/zinc/24/66/97/818246697.db2.gz CSMFVMVQGWTQQZ-CALCHBBNSA-N 2 1 286.463 3.368 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640221 818407965 /nfs/dbraw/zinc/40/79/65/818407965.db2.gz JYRCERJCNRQGHP-IEBWSBKVSA-N 2 1 284.447 3.091 20 0 CGADMP Cc1cnsc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001233320875 818577581 /nfs/dbraw/zinc/57/75/81/818577581.db2.gz QUJQCMLPHUEEFD-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP CCOC(=[NH2+])c1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc1 ZINC001234587966 818887881 /nfs/dbraw/zinc/88/78/81/818887881.db2.gz GOQBSCQZJKQCSD-KOMQPUFPSA-N 2 1 290.407 3.300 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc21 ZINC001234990737 818970154 /nfs/dbraw/zinc/97/01/54/818970154.db2.gz FAERFRUIUUWNIO-LJQANCHMSA-N 2 1 297.446 3.237 20 0 CGADMP c1cc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2o1 ZINC001234995065 818971796 /nfs/dbraw/zinc/97/17/96/818971796.db2.gz WVDXQQGIHUVJFV-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2o1 ZINC001234995065 818971801 /nfs/dbraw/zinc/97/18/01/818971801.db2.gz WVDXQQGIHUVJFV-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC001235007232 818977778 /nfs/dbraw/zinc/97/77/78/818977778.db2.gz KHZSWJONYAVDAO-LSJNQWAISA-N 2 1 286.463 3.412 20 0 CGADMP c1ccc(C(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC001235007594 818978541 /nfs/dbraw/zinc/97/85/41/818978541.db2.gz PRQCKUIECNQNAT-AZUAARDMSA-N 2 1 292.426 3.112 20 0 CGADMP c1ccc(C(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC001235007594 818978545 /nfs/dbraw/zinc/97/85/45/818978545.db2.gz PRQCKUIECNQNAT-AZUAARDMSA-N 2 1 292.426 3.112 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235018773 818980422 /nfs/dbraw/zinc/98/04/22/818980422.db2.gz VTHNWBOBLIMWOL-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235018773 818980424 /nfs/dbraw/zinc/98/04/24/818980424.db2.gz VTHNWBOBLIMWOL-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP c1cc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cs1 ZINC001235025427 818982780 /nfs/dbraw/zinc/98/27/80/818982780.db2.gz AAISUMMSFSPMMX-DLBZAZTESA-N 2 1 284.428 3.209 20 0 CGADMP c1cc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cs1 ZINC001235025427 818982787 /nfs/dbraw/zinc/98/27/87/818982787.db2.gz AAISUMMSFSPMMX-DLBZAZTESA-N 2 1 284.428 3.209 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1)c1ccccc1 ZINC001235039712 818988551 /nfs/dbraw/zinc/98/85/51/818988551.db2.gz HKXDJWXBGCWOLR-FUHWJXTLSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235047243 818990498 /nfs/dbraw/zinc/99/04/98/818990498.db2.gz UDMMLMPMOIXGBD-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235047243 818990499 /nfs/dbraw/zinc/99/04/99/818990499.db2.gz UDMMLMPMOIXGBD-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235141647 819015988 /nfs/dbraw/zinc/01/59/88/819015988.db2.gz UVIWCELOHXLOGJ-UHFFFAOYSA-N 2 1 297.446 3.379 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)s1 ZINC001235154345 819018709 /nfs/dbraw/zinc/01/87/09/819018709.db2.gz LCJFCAPVDKSYHC-INIZCTEOSA-N 2 1 278.465 3.411 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235160733 819020069 /nfs/dbraw/zinc/02/00/69/819020069.db2.gz YVOOGHSOTXFQMY-QGZVFWFLSA-N 2 1 294.389 3.319 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cs1 ZINC001235157895 819020205 /nfs/dbraw/zinc/02/02/05/819020205.db2.gz SLIIBRGBUHSRGM-MRXNPFEDSA-N 2 1 278.465 3.411 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186764 819028479 /nfs/dbraw/zinc/02/84/79/819028479.db2.gz KQKOGJZCHWXTOQ-ZACQAIPSSA-N 2 1 264.457 3.300 20 0 CGADMP CCOc1cccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191756 819032707 /nfs/dbraw/zinc/03/27/07/819032707.db2.gz YGCLPBNRWASMNH-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001235244822 819046128 /nfs/dbraw/zinc/04/61/28/819046128.db2.gz LSHWEYSEEOGTOA-RTBURBONSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001235244822 819046134 /nfs/dbraw/zinc/04/61/34/819046134.db2.gz LSHWEYSEEOGTOA-RTBURBONSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235254014 819051535 /nfs/dbraw/zinc/05/15/35/819051535.db2.gz HBRUJBXKRMXKHE-ZWOKBUDYSA-N 2 1 290.410 3.179 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235256885 819052777 /nfs/dbraw/zinc/05/27/77/819052777.db2.gz GXBYDJHZAAUSQJ-OCCSQVGLSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235256885 819052781 /nfs/dbraw/zinc/05/27/81/819052781.db2.gz GXBYDJHZAAUSQJ-OCCSQVGLSA-N 2 1 272.417 3.003 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235257390 819053559 /nfs/dbraw/zinc/05/35/59/819053559.db2.gz YZKGLSPGNHLHBG-WDSOQIARSA-N 2 1 296.389 3.414 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235256783 819053801 /nfs/dbraw/zinc/05/38/01/819053801.db2.gz TTWUNUWXNHWMTB-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235262693 819054694 /nfs/dbraw/zinc/05/46/94/819054694.db2.gz RVFGCNMWPXQHCT-XLIONFOSSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235262693 819054699 /nfs/dbraw/zinc/05/46/99/819054699.db2.gz RVFGCNMWPXQHCT-XLIONFOSSA-N 2 1 292.426 3.456 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235263235 819057122 /nfs/dbraw/zinc/05/71/22/819057122.db2.gz SYVJUCPBJBTTAZ-JNXQLMTMSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)o1 ZINC001235266839 819057324 /nfs/dbraw/zinc/05/73/24/819057324.db2.gz GNKIAFBMFLJQLT-QZTJIDSGSA-N 2 1 296.414 3.439 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340800 819072541 /nfs/dbraw/zinc/07/25/41/819072541.db2.gz MMRRGDBBTHALMV-LLVKDONJSA-N 2 1 299.245 3.343 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235423235 819093147 /nfs/dbraw/zinc/09/31/47/819093147.db2.gz FSCUOSRRGJXYRS-JKSUJKDBSA-N 2 1 290.426 3.346 20 0 CGADMP C[N@H+](Cc1ccc(F)c2ccccc12)CC1CC[NH2+]CC1 ZINC001235433973 819096116 /nfs/dbraw/zinc/09/61/16/819096116.db2.gz UDDYCTQJYJGIAU-UHFFFAOYSA-N 2 1 286.394 3.410 20 0 CGADMP Cc1c(F)ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1Cl ZINC001235432636 819096467 /nfs/dbraw/zinc/09/64/67/819096467.db2.gz ORUUNCVRKVKPFX-UHFFFAOYSA-N 2 1 284.806 3.219 20 0 CGADMP C[N@@H+](Cc1c(Cl)ccc(F)c1F)CC1CC[NH2+]CC1 ZINC001235434027 819097454 /nfs/dbraw/zinc/09/74/54/819097454.db2.gz XTMMLUNOYFTEBG-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP C[N@H+](Cc1c(Cl)ccc(F)c1F)CC1CC[NH2+]CC1 ZINC001235434027 819097463 /nfs/dbraw/zinc/09/74/63/819097463.db2.gz XTMMLUNOYFTEBG-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235673521 819133475 /nfs/dbraw/zinc/13/34/75/819133475.db2.gz BPQPFDBWXDASQL-INIZCTEOSA-N 2 1 290.451 3.261 20 0 CGADMP c1cc([C@@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)ccn1 ZINC001235673002 819133885 /nfs/dbraw/zinc/13/38/85/819133885.db2.gz JYAWREAQFDQMBP-QGZVFWFLSA-N 2 1 287.451 3.183 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235679859 819139727 /nfs/dbraw/zinc/13/97/27/819139727.db2.gz RPMSQSBLTVMNJV-WMZOPIPTSA-N 2 1 288.435 3.364 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235712655 819149001 /nfs/dbraw/zinc/14/90/01/819149001.db2.gz FLRRYFVZDKGPHF-UHFFFAOYSA-N 2 1 272.436 3.071 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235712655 819149003 /nfs/dbraw/zinc/14/90/03/819149003.db2.gz FLRRYFVZDKGPHF-UHFFFAOYSA-N 2 1 272.436 3.071 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC001235715984 819150853 /nfs/dbraw/zinc/15/08/53/819150853.db2.gz ZRTCILVMAWMFOB-NVXWUHKLSA-N 2 1 264.457 3.300 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(F)ccc1Cl ZINC001235717686 819152446 /nfs/dbraw/zinc/15/24/46/819152446.db2.gz YTYHXBIVUCNEKB-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001235749118 819160093 /nfs/dbraw/zinc/16/00/93/819160093.db2.gz HMFCKTKXINSQND-OAHLLOKOSA-N 2 1 284.378 3.273 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)c1C ZINC001235748658 819160361 /nfs/dbraw/zinc/16/03/61/819160361.db2.gz DEEMQSAAYBOYMJ-MRXNPFEDSA-N 2 1 260.425 3.009 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001235747622 819160429 /nfs/dbraw/zinc/16/04/29/819160429.db2.gz DWMQZKBDZNDTNV-UHFFFAOYSA-N 2 1 277.799 3.135 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841406 819183919 /nfs/dbraw/zinc/18/39/19/819183919.db2.gz FIJZAZJSZYUHEK-JKSUJKDBSA-N 2 1 252.446 3.300 20 0 CGADMP C[N@H+](Cc1ccc(-c2cccs2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235841927 819183950 /nfs/dbraw/zinc/18/39/50/819183950.db2.gz JZRXIKRFHZVCTO-OAHLLOKOSA-N 2 1 286.444 3.456 20 0 CGADMP C[NH2+]CCC[N@@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001235880946 819195052 /nfs/dbraw/zinc/19/50/52/819195052.db2.gz BYZQROQKPGMPFB-LBPRGKRZSA-N 2 1 287.234 3.392 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001235880946 819195054 /nfs/dbraw/zinc/19/50/54/819195054.db2.gz BYZQROQKPGMPFB-LBPRGKRZSA-N 2 1 287.234 3.392 20 0 CGADMP Fc1cc(F)c(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001235883255 819195085 /nfs/dbraw/zinc/19/50/85/819195085.db2.gz CIULWIITCUANSA-OAHLLOKOSA-N 2 1 298.352 3.068 20 0 CGADMP Clc1cccc([C@@H]2CC[N@@H+](CCC3C[NH2+]C3)C2)c1Cl ZINC001235885177 819197073 /nfs/dbraw/zinc/19/70/73/819197073.db2.gz SAYHAGSBSAPXIJ-GFCCVEGCSA-N 2 1 299.245 3.392 20 0 CGADMP c1c(C[N@H+]2CCC[C@H]3CCC[C@H]32)sc2c1CC[NH2+]C2 ZINC001235894160 819204785 /nfs/dbraw/zinc/20/47/85/819204785.db2.gz UMLHSZQUCSCOBP-IUODEOHRSA-N 2 1 276.449 3.158 20 0 CGADMP Cc1c(C[N@@H+]2CCC[C@H]2CC[NH3+])cccc1C(F)(F)F ZINC001235925620 819224156 /nfs/dbraw/zinc/22/41/56/819224156.db2.gz MKSCNQXPTDESKI-ZDUSSCGKSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@H]2CC[NH3+])cccc1C(F)(F)F ZINC001235925620 819224159 /nfs/dbraw/zinc/22/41/59/819224159.db2.gz MKSCNQXPTDESKI-ZDUSSCGKSA-N 2 1 286.341 3.327 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c2ccccc12 ZINC001235925282 819225479 /nfs/dbraw/zinc/22/54/79/819225479.db2.gz PJQGQHRHVSERCZ-HNNXBMFYSA-N 2 1 284.403 3.162 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235926244 819226197 /nfs/dbraw/zinc/22/61/97/819226197.db2.gz VCWNMIBJGOEVQN-AWEZNQCLSA-N 2 1 264.438 3.030 20 0 CGADMP c1ccc(C2(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)CCCC2)cc1 ZINC001235930249 819227667 /nfs/dbraw/zinc/22/76/67/819227667.db2.gz VFUGRVICHXIMJK-IRXDYDNUSA-N 2 1 284.447 3.040 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235936344 819232325 /nfs/dbraw/zinc/23/23/25/819232325.db2.gz JPJQEECAODNLLY-YPMHNXCESA-N 2 1 296.867 3.103 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235936344 819232329 /nfs/dbraw/zinc/23/23/29/819232329.db2.gz JPJQEECAODNLLY-YPMHNXCESA-N 2 1 296.867 3.103 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC001235949378 819238943 /nfs/dbraw/zinc/23/89/43/819238943.db2.gz HOPZEOMMZXGAHX-KRWDZBQOSA-N 2 1 284.378 3.274 20 0 CGADMP Fc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235949508 819240225 /nfs/dbraw/zinc/24/02/25/819240225.db2.gz NEZAURKKTLYCRC-GDBMZVCRSA-N 2 1 276.399 3.005 20 0 CGADMP CC(C)c1ccc(CC[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001235950681 819242232 /nfs/dbraw/zinc/24/22/32/819242232.db2.gz LQBOBRYNPVTMQB-KRWDZBQOSA-N 2 1 274.452 3.284 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957315 819245182 /nfs/dbraw/zinc/24/51/82/819245182.db2.gz MPFLSTPBSPOTLH-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1C ZINC001235957005 819246056 /nfs/dbraw/zinc/24/60/56/819246056.db2.gz JJLVRZYXRZWUJP-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235958842 819247186 /nfs/dbraw/zinc/24/71/86/819247186.db2.gz BDNHMUZCAPCXJC-QGZVFWFLSA-N 2 1 260.425 3.459 20 0 CGADMP CC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccc(Cl)cc1 ZINC001235961923 819250017 /nfs/dbraw/zinc/25/00/17/819250017.db2.gz HIPSUCSFVXTLTO-HNNXBMFYSA-N 2 1 296.842 3.277 20 0 CGADMP CC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccc(Cl)cc1 ZINC001235961923 819250026 /nfs/dbraw/zinc/25/00/26/819250026.db2.gz HIPSUCSFVXTLTO-HNNXBMFYSA-N 2 1 296.842 3.277 20 0 CGADMP c1ccc(C2=CC[N@@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235962017 819250141 /nfs/dbraw/zinc/25/01/41/819250141.db2.gz HDOLDZDHYNWCLU-MRXNPFEDSA-N 2 1 270.420 3.165 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236044979 819281742 /nfs/dbraw/zinc/28/17/42/819281742.db2.gz QVGUGYXDLJKLSG-SJLPKXTDSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236044979 819281747 /nfs/dbraw/zinc/28/17/47/819281747.db2.gz QVGUGYXDLJKLSG-SJLPKXTDSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)c(C)c1C ZINC001236046721 819283280 /nfs/dbraw/zinc/28/32/80/819283280.db2.gz HTVVAIOKIDWTDS-APPDUMDISA-N 2 1 274.452 3.398 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)c(C)c1C ZINC001236046721 819283287 /nfs/dbraw/zinc/28/32/87/819283287.db2.gz HTVVAIOKIDWTDS-APPDUMDISA-N 2 1 274.452 3.398 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c2ccccc12 ZINC001236051319 819287218 /nfs/dbraw/zinc/28/72/18/819287218.db2.gz VXQGTOOKLNMGMK-BBRMVZONSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c2ccccc12 ZINC001236051319 819287221 /nfs/dbraw/zinc/28/72/21/819287221.db2.gz VXQGTOOKLNMGMK-BBRMVZONSA-N 2 1 268.404 3.317 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1(C)C ZINC001236061015 819293393 /nfs/dbraw/zinc/29/33/93/819293393.db2.gz UTCFZQDNRQIMBL-JYJNAYRXSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1(C)C ZINC001236061015 819293396 /nfs/dbraw/zinc/29/33/96/819293396.db2.gz UTCFZQDNRQIMBL-JYJNAYRXSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1(C)C ZINC001236061029 819294155 /nfs/dbraw/zinc/29/41/55/819294155.db2.gz UTCFZQDNRQIMBL-XHSDSOJGSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)C1(C)C ZINC001236061029 819294161 /nfs/dbraw/zinc/29/41/61/819294161.db2.gz UTCFZQDNRQIMBL-XHSDSOJGSA-N 2 1 262.441 3.053 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060369 819294340 /nfs/dbraw/zinc/29/43/40/819294340.db2.gz OVWWSGKOXQPBBK-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060369 819294348 /nfs/dbraw/zinc/29/43/48/819294348.db2.gz OVWWSGKOXQPBBK-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236068866 819299704 /nfs/dbraw/zinc/29/97/04/819299704.db2.gz XXPHYRLKNLDXDX-INIZCTEOSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001236096769 819314966 /nfs/dbraw/zinc/31/49/66/819314966.db2.gz FYDUJCIEPPWHAJ-NOLJZWGESA-N 2 1 278.827 3.127 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236101176 819317491 /nfs/dbraw/zinc/31/74/91/819317491.db2.gz NJSBSYVAYYZYIS-UHFFFAOYSA-N 2 1 296.414 3.321 20 0 CGADMP Fc1cccc(F)c1[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236189276 819363230 /nfs/dbraw/zinc/36/32/30/819363230.db2.gz KHFDRWVQOYGZGS-MRXNPFEDSA-N 2 1 294.389 3.491 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236190830 819363443 /nfs/dbraw/zinc/36/34/43/819363443.db2.gz YRUNKWXHYGXNSR-BBRMVZONSA-N 2 1 294.389 3.491 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1c[nH]c2ccccc12 ZINC001236194675 819364983 /nfs/dbraw/zinc/36/49/83/819364983.db2.gz WLFLAOHLSZHALO-INIZCTEOSA-N 2 1 257.381 3.044 20 0 CGADMP C[N@H+](Cc1cc(O)cc2ccccc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214615 819376740 /nfs/dbraw/zinc/37/67/40/819376740.db2.gz GOHIMLIKBBPQDO-MSOLQXFVSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@@H+](Cc1cc(O)cc2ccccc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214615 819376743 /nfs/dbraw/zinc/37/67/43/819376743.db2.gz GOHIMLIKBBPQDO-MSOLQXFVSA-N 2 1 284.403 3.247 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215852 819379612 /nfs/dbraw/zinc/37/96/12/819379612.db2.gz IQEKDWHYUQBBTG-CVEARBPZSA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215852 819379616 /nfs/dbraw/zinc/37/96/16/819379616.db2.gz IQEKDWHYUQBBTG-CVEARBPZSA-N 2 1 264.388 3.144 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)cc(C)cc2F)CC1 ZINC001236215976 819380565 /nfs/dbraw/zinc/38/05/65/819380565.db2.gz UZTAOUWTVDUSPG-UHFFFAOYSA-N 2 1 282.378 3.236 20 0 CGADMP C[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219685 819385555 /nfs/dbraw/zinc/38/55/55/819385555.db2.gz XMTCTSUSZRINTN-MOPGFXCFSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219685 819385563 /nfs/dbraw/zinc/38/55/63/819385563.db2.gz XMTCTSUSZRINTN-MOPGFXCFSA-N 2 1 295.430 3.450 20 0 CGADMP CCCCCOc1ccc(C[NH+]2CCC[NH2+]CCC2)cc1 ZINC001236240656 819399895 /nfs/dbraw/zinc/39/98/95/819399895.db2.gz RVVMGBYEDWZXEI-UHFFFAOYSA-N 2 1 290.451 3.441 20 0 CGADMP c1ccc(C[N@@H+](CCC2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236268413 819409911 /nfs/dbraw/zinc/40/99/11/819409911.db2.gz CSGQDKVQNQTWRH-KRWDZBQOSA-N 2 1 258.409 3.041 20 0 CGADMP c1ccc(C[N@H+](CCC2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236268413 819409914 /nfs/dbraw/zinc/40/99/14/819409914.db2.gz CSGQDKVQNQTWRH-KRWDZBQOSA-N 2 1 258.409 3.041 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236320254 819424356 /nfs/dbraw/zinc/42/43/56/819424356.db2.gz OKJFETCPAVHPJV-HDICACEKSA-N 2 1 272.436 3.071 20 0 CGADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2cccccc1-2 ZINC001236320856 819424659 /nfs/dbraw/zinc/42/46/59/819424659.db2.gz KRZWDMPIQAVLAX-CALCHBBNSA-N 2 1 280.415 3.223 20 0 CGADMP CCOC(=[NH2+])c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001236360599 819433314 /nfs/dbraw/zinc/43/33/14/819433314.db2.gz RSHQAQFLCJZVER-UHFFFAOYSA-N 2 1 280.371 3.361 20 0 CGADMP CC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C[C@H]1CC[NH2+]C1 ZINC001236408769 819455669 /nfs/dbraw/zinc/45/56/69/819455669.db2.gz STRGUHOZNDFYNY-JKSUJKDBSA-N 2 1 264.457 3.300 20 0 CGADMP CC[N@H+](Cc1ccc(OC)c(C(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236410277 819457272 /nfs/dbraw/zinc/45/72/72/819457272.db2.gz XYUFLYYIQBRUJG-MRXNPFEDSA-N 2 1 290.451 3.250 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCCc1ccccc1 ZINC001236419061 819465933 /nfs/dbraw/zinc/46/59/33/819465933.db2.gz JQBLFLZPOGEHLU-QGZVFWFLSA-N 2 1 260.425 3.083 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCCc1ccccc1 ZINC001236419061 819465935 /nfs/dbraw/zinc/46/59/35/819465935.db2.gz JQBLFLZPOGEHLU-QGZVFWFLSA-N 2 1 260.425 3.083 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)c2ccccc12 ZINC001236420824 819467111 /nfs/dbraw/zinc/46/71/11/819467111.db2.gz OLOUDXJNLGMPJV-KDOFPFPSSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)c2ccccc12 ZINC001236420824 819467114 /nfs/dbraw/zinc/46/71/14/819467114.db2.gz OLOUDXJNLGMPJV-KDOFPFPSSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@](F)(C[NH3+])C2)c(C)c1C ZINC001236433654 819476433 /nfs/dbraw/zinc/47/64/33/819476433.db2.gz GDKLUNHJZZYZLL-QGZVFWFLSA-N 2 1 278.415 3.101 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@](F)(C[NH3+])C2)c(C)c1C ZINC001236433654 819476440 /nfs/dbraw/zinc/47/64/40/819476440.db2.gz GDKLUNHJZZYZLL-QGZVFWFLSA-N 2 1 278.415 3.101 20 0 CGADMP CC(C)(C)C[N@@H+](CCc1ccccc1)C1CC[NH2+]CC1 ZINC001236454200 819484530 /nfs/dbraw/zinc/48/45/30/819484530.db2.gz IKRIKQRVFPJMMQ-UHFFFAOYSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1cc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)ccc1O ZINC001236551931 819535058 /nfs/dbraw/zinc/53/50/58/819535058.db2.gz OMWWDDHLKLVQCP-QAQDUYKDSA-N 2 1 290.451 3.429 20 0 CGADMP Cc1cc(O)cc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236552396 819535304 /nfs/dbraw/zinc/53/53/04/819535304.db2.gz PPOGWLDGZWFQMU-QAQDUYKDSA-N 2 1 290.451 3.429 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236605357 819550247 /nfs/dbraw/zinc/55/02/47/819550247.db2.gz RGBPLLWMWHULCG-HXUWFJFHSA-N 2 1 292.426 3.429 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236634793 819556915 /nfs/dbraw/zinc/55/69/15/819556915.db2.gz XVVDMYDCONJFQW-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1n[nH]c(C)c1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766979 819592147 /nfs/dbraw/zinc/59/21/47/819592147.db2.gz JQHFDUIWXRGNCQ-SHTZXODSSA-N 2 1 292.471 3.145 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236819981 819605910 /nfs/dbraw/zinc/60/59/10/819605910.db2.gz PCSKBXAJLVOXCX-QAETUUGQSA-N 2 1 296.499 3.277 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236826391 819608039 /nfs/dbraw/zinc/60/80/39/819608039.db2.gz CMPIFGZNDWTFKO-ZLKJLUDKSA-N 2 1 296.867 3.231 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236832958 819611271 /nfs/dbraw/zinc/61/12/71/819611271.db2.gz XXUVHRMXFVFBKX-IPELMVKDSA-N 2 1 280.415 3.317 20 0 CGADMP CCCOc1ccccc1C[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236834270 819613717 /nfs/dbraw/zinc/61/37/17/819613717.db2.gz GGWVDODAXXKUHG-MRXNPFEDSA-N 2 1 290.451 3.297 20 0 CGADMP CCC[N@@H+](Cc1ccc(OC)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236834337 819613879 /nfs/dbraw/zinc/61/38/79/819613879.db2.gz HROBUJUNALMWNB-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236834337 819613882 /nfs/dbraw/zinc/61/38/82/819613882.db2.gz HROBUJUNALMWNB-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236835365 819614566 /nfs/dbraw/zinc/61/45/66/819614566.db2.gz MEDDZHAYTALBDK-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236835365 819614573 /nfs/dbraw/zinc/61/45/73/819614573.db2.gz MEDDZHAYTALBDK-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1ccc(F)c2ccoc21)C[C@H]1CC[NH2+]C1 ZINC001236844122 819620393 /nfs/dbraw/zinc/62/03/93/819620393.db2.gz SYDQAKYSUGTTBE-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP CC[N@@H+](Cc1ccc(F)c2ccoc21)C1CCN(C)CC1 ZINC001236903371 819634415 /nfs/dbraw/zinc/63/44/15/819634415.db2.gz AOEKYCBKVDIECB-UHFFFAOYSA-N 2 1 290.382 3.488 20 0 CGADMP Fc1cc(F)cc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC001237057467 819655925 /nfs/dbraw/zinc/65/59/25/819655925.db2.gz JCZJHRVFZNHTQV-SUMWQHHRSA-N 2 1 294.389 3.491 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(O)cc2ccccc21 ZINC001237069086 819658552 /nfs/dbraw/zinc/65/85/52/819658552.db2.gz QGIJHYOXCMXQFG-UHFFFAOYSA-N 2 1 298.430 3.463 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(O)cc2ccccc21 ZINC001237069086 819658554 /nfs/dbraw/zinc/65/85/54/819658554.db2.gz QGIJHYOXCMXQFG-UHFFFAOYSA-N 2 1 298.430 3.463 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083855 819663683 /nfs/dbraw/zinc/66/36/83/819663683.db2.gz YUMZOVHKJRRLQW-QGZVFWFLSA-N 2 1 260.425 3.118 20 0 CGADMP CCc1cccc(C)c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001237332485 819730541 /nfs/dbraw/zinc/73/05/41/819730541.db2.gz GMKOMUZHRDLLOC-UHFFFAOYSA-N 2 1 272.436 3.228 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237394809 819744005 /nfs/dbraw/zinc/74/40/05/819744005.db2.gz VXGZRMPVLGYBGH-SJLPKXTDSA-N 2 1 270.420 3.138 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414085 819747455 /nfs/dbraw/zinc/74/74/55/819747455.db2.gz LQJCXGPKOGXUFD-QZTJIDSGSA-N 2 1 272.436 3.384 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416657 819748869 /nfs/dbraw/zinc/74/88/69/819748869.db2.gz SCBCUYGINFPSHL-ZBFHGGJFSA-N 2 1 290.476 3.373 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416657 819748872 /nfs/dbraw/zinc/74/88/72/819748872.db2.gz SCBCUYGINFPSHL-ZBFHGGJFSA-N 2 1 290.476 3.373 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3nccc(C)c23)CC1 ZINC001237633936 819793177 /nfs/dbraw/zinc/79/31/77/819793177.db2.gz QLJVNPQTPKDZOO-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3nccc(C)c23)CC1 ZINC001237633936 819793182 /nfs/dbraw/zinc/79/31/82/819793182.db2.gz QLJVNPQTPKDZOO-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)Cc1cccc2c[nH+]cn21 ZINC001238118787 819938202 /nfs/dbraw/zinc/93/82/02/819938202.db2.gz LRWCMFSILHCVNT-UHFFFAOYSA-N 2 1 294.402 3.184 20 0 CGADMP c1cc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc2o1 ZINC001240422562 821044223 /nfs/dbraw/zinc/04/42/23/821044223.db2.gz DQGRCXWEFMICAL-UHFFFAOYSA-N 2 1 289.338 3.434 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C2=CCC[NH+](C)C2)nc1 ZINC001241568396 821954588 /nfs/dbraw/zinc/95/45/88/821954588.db2.gz QMHSEEUCALJGES-HNNXBMFYSA-N 2 1 285.435 3.175 20 0 CGADMP C[C@H]1CCCC[NH+]1Cc1ccc(C2=CCC[N@H+](C)C2)nc1 ZINC001241568396 821954593 /nfs/dbraw/zinc/95/45/93/821954593.db2.gz QMHSEEUCALJGES-HNNXBMFYSA-N 2 1 285.435 3.175 20 0 CGADMP C[C@H]1CCCC[NH+]1Cc1ccc(C2=CCC[N@@H+](C)C2)nc1 ZINC001241568396 821954598 /nfs/dbraw/zinc/95/45/98/821954598.db2.gz QMHSEEUCALJGES-HNNXBMFYSA-N 2 1 285.435 3.175 20 0 CGADMP C[N@H+]1CCC=C(c2cccc(C[NH+]3CCCC3)c2F)C1 ZINC001241571708 821958909 /nfs/dbraw/zinc/95/89/09/821958909.db2.gz DWBOXCCZVRFVOX-UHFFFAOYSA-N 2 1 274.383 3.140 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001339038886 936346118 /nfs/dbraw/zinc/34/61/18/936346118.db2.gz AZEBIRSKTDMWCV-SUMWQHHRSA-N 2 1 276.399 3.229 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001339038886 936346123 /nfs/dbraw/zinc/34/61/23/936346123.db2.gz AZEBIRSKTDMWCV-SUMWQHHRSA-N 2 1 276.399 3.229 20 0 CGADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001330187031 935274998 /nfs/dbraw/zinc/27/49/98/935274998.db2.gz WHNFJMVWWOZFET-QGZVFWFLSA-N 2 1 292.442 3.326 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccco2)C(C)C)CC1 ZINC001474402399 937857406 /nfs/dbraw/zinc/85/74/06/937857406.db2.gz RYIDAVFVIFETKJ-UHFFFAOYSA-N 2 1 264.413 3.222 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC001345075946 936800512 /nfs/dbraw/zinc/80/05/12/936800512.db2.gz AXYKEWDVXCYBLR-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC001350144368 936980793 /nfs/dbraw/zinc/98/07/93/936980793.db2.gz DBSUGCFKXVFBRA-LVQVYYBASA-N 2 1 264.457 3.133 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001351987575 937030953 /nfs/dbraw/zinc/03/09/53/937030953.db2.gz OEFZOWGDOAGNNS-HNNXBMFYSA-N 2 1 296.405 3.217 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001474349870 937204573 /nfs/dbraw/zinc/20/45/73/937204573.db2.gz DLSWPBOWGYFPNO-INIZCTEOSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(F)c1 ZINC001275427944 928521807 /nfs/dbraw/zinc/52/18/07/928521807.db2.gz VOLJBDXXVQZISY-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)CC(C)(C)C ZINC001459949119 928726641 /nfs/dbraw/zinc/72/66/41/928726641.db2.gz DXRYTIKYDBIMPJ-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2scnc2C)C[C@H]1C ZINC001459613690 937493491 /nfs/dbraw/zinc/49/34/91/937493491.db2.gz OJOAZWFBYWTWSF-HIFRSBDPSA-N 2 1 295.496 3.189 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2scnc2C)C[C@H]1C ZINC001459613690 937493493 /nfs/dbraw/zinc/49/34/93/937493493.db2.gz OJOAZWFBYWTWSF-HIFRSBDPSA-N 2 1 295.496 3.189 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2scnc2C)C[C@H]1C ZINC001459613690 937493495 /nfs/dbraw/zinc/49/34/95/937493495.db2.gz OJOAZWFBYWTWSF-HIFRSBDPSA-N 2 1 295.496 3.189 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(OC)c1C ZINC001459628046 937493786 /nfs/dbraw/zinc/49/37/86/937493786.db2.gz AKDPYDYQFWBQOE-SJORKVTESA-N 2 1 288.435 3.062 20 0 CGADMP Cc1ccccc1C1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001460331089 937527290 /nfs/dbraw/zinc/52/72/90/937527290.db2.gz KQAFQMDSUDTHIX-INIZCTEOSA-N 2 1 272.436 3.448 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001461049549 937561654 /nfs/dbraw/zinc/56/16/54/937561654.db2.gz FWFXQYWPQCWGFI-MULDZMIYSA-N 2 1 274.383 3.055 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC001461049549 937561656 /nfs/dbraw/zinc/56/16/56/937561656.db2.gz FWFXQYWPQCWGFI-MULDZMIYSA-N 2 1 274.383 3.055 20 0 CGADMP CC(C)CCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001461228328 937569138 /nfs/dbraw/zinc/56/91/38/937569138.db2.gz AHHKLNAOHNPHPH-UHFFFAOYSA-N 2 1 269.458 3.121 20 0 CGADMP C[N@H+]1CCC[C@H](Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229448682 932153727 /nfs/dbraw/zinc/15/37/27/932153727.db2.gz NLJBLAJSHCVZFD-SFHVURJKSA-N 2 1 288.435 3.146 20 0 CGADMP C[N@H+]1CCC[C@@H](Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229448681 932153894 /nfs/dbraw/zinc/15/38/94/932153894.db2.gz NLJBLAJSHCVZFD-GOSISDBHSA-N 2 1 288.435 3.146 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCC(C)(C)CC2)CCCO1 ZINC001461429128 937580618 /nfs/dbraw/zinc/58/06/18/937580618.db2.gz XIBSYMBWQIJKOS-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC(C)(C)CC2)CCCO1 ZINC001461429128 937580621 /nfs/dbraw/zinc/58/06/21/937580621.db2.gz XIBSYMBWQIJKOS-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)CC1 ZINC001462371168 937636338 /nfs/dbraw/zinc/63/63/38/937636338.db2.gz BAMNSVFCIHUOSF-IRXDYDNUSA-N 2 1 278.484 3.476 20 0 CGADMP CC[C@@H](C)[C@@H](C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)OC ZINC001462522383 937647286 /nfs/dbraw/zinc/64/72/86/937647286.db2.gz DJCDUEAXRUYGFM-SJLPKXTDSA-N 2 1 298.515 3.347 20 0 CGADMP CC(C)(CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC001307875888 933014023 /nfs/dbraw/zinc/01/40/23/933014023.db2.gz YUMRJEFZQKMCJD-UHFFFAOYSA-N 2 1 287.451 3.420 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC001462617878 937654080 /nfs/dbraw/zinc/65/40/80/937654080.db2.gz KHYJQXRZVVYAAR-MOPGFXCFSA-N 2 1 286.463 3.236 20 0 CGADMP CC(C)c1ccc(CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC001462617878 937654082 /nfs/dbraw/zinc/65/40/82/937654082.db2.gz KHYJQXRZVVYAAR-MOPGFXCFSA-N 2 1 286.463 3.236 20 0 CGADMP CC(C)c1ccc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC001462617878 937654085 /nfs/dbraw/zinc/65/40/85/937654085.db2.gz KHYJQXRZVVYAAR-MOPGFXCFSA-N 2 1 286.463 3.236 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CCC3(CCC3)CC2)CC1 ZINC001308181116 933068209 /nfs/dbraw/zinc/06/82/09/933068209.db2.gz ZQQQBPWAKZUSHW-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568266 933135232 /nfs/dbraw/zinc/13/52/32/933135232.db2.gz CPJUNJXYVBSCDV-WBVHZDCISA-N 2 1 299.462 3.483 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568266 933135235 /nfs/dbraw/zinc/13/52/35/933135235.db2.gz CPJUNJXYVBSCDV-WBVHZDCISA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568266 933135237 /nfs/dbraw/zinc/13/52/37/933135237.db2.gz CPJUNJXYVBSCDV-WBVHZDCISA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568266 933135239 /nfs/dbraw/zinc/13/52/39/933135239.db2.gz CPJUNJXYVBSCDV-WBVHZDCISA-N 2 1 299.462 3.483 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)c(C)c1 ZINC001308737872 933167113 /nfs/dbraw/zinc/16/71/13/933167113.db2.gz NFJJCHFJXDSGMZ-GOSISDBHSA-N 2 1 286.463 3.435 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCc1ccc(F)c(F)c1 ZINC001308745899 933168634 /nfs/dbraw/zinc/16/86/34/933168634.db2.gz HWEYRJVXJXXLTK-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCc1ccc(F)c(F)c1 ZINC001308745899 933168637 /nfs/dbraw/zinc/16/86/37/933168637.db2.gz HWEYRJVXJXXLTK-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308745899 933168641 /nfs/dbraw/zinc/16/86/41/933168641.db2.gz HWEYRJVXJXXLTK-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308745899 933168644 /nfs/dbraw/zinc/16/86/44/933168644.db2.gz HWEYRJVXJXXLTK-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC001308784373 933176148 /nfs/dbraw/zinc/17/61/48/933176148.db2.gz GXKLWYIGGTWTGR-IBGZPJMESA-N 2 1 286.463 3.264 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC001308784373 933176154 /nfs/dbraw/zinc/17/61/54/933176154.db2.gz GXKLWYIGGTWTGR-IBGZPJMESA-N 2 1 286.463 3.264 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]CC(C)(C)Oc1ccccc1 ZINC001308847826 933188792 /nfs/dbraw/zinc/18/87/92/933188792.db2.gz NGVHRMHPVZMOKN-UHFFFAOYSA-N 2 1 292.467 3.412 20 0 CGADMP CC[C@@H](C)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001473739178 937819777 /nfs/dbraw/zinc/81/97/77/937819777.db2.gz LAXBCPYWUUGSFF-OAHLLOKOSA-N 2 1 254.462 3.332 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001321272836 934172250 /nfs/dbraw/zinc/17/22/50/934172250.db2.gz AUXGWXAUMJXBMY-ZDUSSCGKSA-N 2 1 291.826 3.456 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC001323977238 934444120 /nfs/dbraw/zinc/44/41/20/934444120.db2.gz NBJRLMPNWZFSRU-YOEHRIQHSA-N 2 1 288.435 3.004 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454705 934506235 /nfs/dbraw/zinc/50/62/35/934506235.db2.gz GJBASNUSIJVFPX-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454705 934506242 /nfs/dbraw/zinc/50/62/42/934506242.db2.gz GJBASNUSIJVFPX-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454705 934506249 /nfs/dbraw/zinc/50/62/49/934506249.db2.gz GJBASNUSIJVFPX-OALUTQOASA-N 2 1 284.447 3.091 20 0 CGADMP C[N@@H+](Cc1ccccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001326200060 934959450 /nfs/dbraw/zinc/95/94/50/934959450.db2.gz NPFBFHDWOIWWFQ-JWTNVVGKSA-N 2 1 299.462 3.002 20 0 CGADMP C[C@@H]([NH2+]CCc1c(F)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC001326459972 934981332 /nfs/dbraw/zinc/98/13/32/934981332.db2.gz YSCKNHLYQZLTIN-IAQYHMDHSA-N 2 1 284.806 3.142 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC001326604014 934994139 /nfs/dbraw/zinc/99/41/39/934994139.db2.gz BJYZZWWXQUEJPP-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC001326604014 934994141 /nfs/dbraw/zinc/99/41/41/934994141.db2.gz BJYZZWWXQUEJPP-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCOC(C)(C)C)CC1 ZINC001473716670 937818862 /nfs/dbraw/zinc/81/88/62/937818862.db2.gz JEIJWUKTPOANRW-KRWDZBQOSA-N 2 1 296.499 3.388 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC001328086531 935115693 /nfs/dbraw/zinc/11/56/93/935115693.db2.gz SVMLTRSKRSEASI-WMZOPIPTSA-N 2 1 289.467 3.114 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCC[C@H](C)[NH+](C)C ZINC001328587542 935150135 /nfs/dbraw/zinc/15/01/35/935150135.db2.gz VEVBNMMMOYPWQE-ZDUSSCGKSA-N 2 1 257.381 3.295 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001331564066 935394053 /nfs/dbraw/zinc/39/40/53/935394053.db2.gz ASYUFQGXWWNTQQ-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)c1ccc(F)cc1F ZINC001331834695 935412926 /nfs/dbraw/zinc/41/29/26/935412926.db2.gz NNJFPYWOEGTXDL-IINYFYTJSA-N 2 1 256.340 3.004 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCCC(F)(F)F ZINC001333765100 936063574 /nfs/dbraw/zinc/06/35/74/936063574.db2.gz PXDNQXQAIKHVFJ-LLVKDONJSA-N 2 1 254.340 3.039 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCCC(F)(F)F ZINC001333765100 936063578 /nfs/dbraw/zinc/06/35/78/936063578.db2.gz PXDNQXQAIKHVFJ-LLVKDONJSA-N 2 1 254.340 3.039 20 0 CGADMP FC(F)(F)CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001334872986 936119784 /nfs/dbraw/zinc/11/97/84/936119784.db2.gz OZSCHZJIAQJYAM-ZDUSSCGKSA-N 2 1 278.362 3.279 20 0 CGADMP FC(F)(F)CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001334872986 936119788 /nfs/dbraw/zinc/11/97/88/936119788.db2.gz OZSCHZJIAQJYAM-ZDUSSCGKSA-N 2 1 278.362 3.279 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)cc2)C[C@H]1C ZINC001335390488 936143066 /nfs/dbraw/zinc/14/30/66/936143066.db2.gz JYOKNBSPCNYTLA-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)cc2)C[C@H]1C ZINC001335390488 936143069 /nfs/dbraw/zinc/14/30/69/936143069.db2.gz JYOKNBSPCNYTLA-RHSMWYFYSA-N 2 1 278.415 3.173 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC001335972805 936170735 /nfs/dbraw/zinc/17/07/35/936170735.db2.gz OTWWTZHDTNWENJ-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC001335972805 936170739 /nfs/dbraw/zinc/17/07/39/936170739.db2.gz OTWWTZHDTNWENJ-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]1C[N@@H+](CCSC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001473759813 937821241 /nfs/dbraw/zinc/82/12/41/937821241.db2.gz POIABVXNJBLZPP-CQSZACIVSA-N 2 1 293.480 3.124 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC001473964581 937832817 /nfs/dbraw/zinc/83/28/17/937832817.db2.gz FLHRXLQGAOCXAV-HNNXBMFYSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001474223715 937844824 /nfs/dbraw/zinc/84/48/24/937844824.db2.gz SNZRVFXQJUGQSD-NSHDSACASA-N 2 1 254.805 3.078 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(CSC2)CC1 ZINC001474556540 937867005 /nfs/dbraw/zinc/86/70/05/937867005.db2.gz DLDHDYKJAROOQP-CQSZACIVSA-N 2 1 284.513 3.372 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(CSC2)CC1 ZINC001474556540 937867007 /nfs/dbraw/zinc/86/70/07/937867007.db2.gz DLDHDYKJAROOQP-CQSZACIVSA-N 2 1 284.513 3.372 20 0 CGADMP CC(C)SCC[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001474647970 937872697 /nfs/dbraw/zinc/87/26/97/937872697.db2.gz WMMLEFTXCFXBBS-GJZGRUSLSA-N 2 1 272.502 3.180 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001550539598 938167470 /nfs/dbraw/zinc/16/74/70/938167470.db2.gz DKXKSWDJGTYIRV-KBPBESRZSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001550539598 938167471 /nfs/dbraw/zinc/16/74/71/938167471.db2.gz DKXKSWDJGTYIRV-KBPBESRZSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001550539598 938167472 /nfs/dbraw/zinc/16/74/72/938167472.db2.gz DKXKSWDJGTYIRV-KBPBESRZSA-N 2 1 298.352 3.089 20 0 CGADMP CC(C)[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552080900 938189908 /nfs/dbraw/zinc/18/99/08/938189908.db2.gz ZVYACOGTVQWDIC-OWSLCNJRSA-N 2 1 272.436 3.361 20 0 CGADMP C[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001560126198 938244639 /nfs/dbraw/zinc/24/46/39/938244639.db2.gz BHPLLMGQLFQAQV-MJGOQNOKSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001560126198 938244640 /nfs/dbraw/zinc/24/46/40/938244640.db2.gz BHPLLMGQLFQAQV-MJGOQNOKSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC001560126198 938244641 /nfs/dbraw/zinc/24/46/41/938244641.db2.gz BHPLLMGQLFQAQV-MJGOQNOKSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC001560126198 938244642 /nfs/dbraw/zinc/24/46/42/938244642.db2.gz BHPLLMGQLFQAQV-MJGOQNOKSA-N 2 1 284.447 3.383 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001560461074 938259247 /nfs/dbraw/zinc/25/92/47/938259247.db2.gz IGOGYJBPRVBTNV-OAGGEKHMSA-N 2 1 252.446 3.299 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](CC)C1 ZINC001560465576 938259365 /nfs/dbraw/zinc/25/93/65/938259365.db2.gz YDZBQVHAIOOKRD-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](CC)C1 ZINC001560465576 938259366 /nfs/dbraw/zinc/25/93/66/938259366.db2.gz YDZBQVHAIOOKRD-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1cccc(Cl)c1CN[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001560623417 938266296 /nfs/dbraw/zinc/26/62/96/938266296.db2.gz WTYMSHAFXMGTMW-FRFSOERESA-N 2 1 292.854 3.332 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001560623417 938266300 /nfs/dbraw/zinc/26/63/00/938266300.db2.gz WTYMSHAFXMGTMW-FRFSOERESA-N 2 1 292.854 3.332 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001560623417 938266303 /nfs/dbraw/zinc/26/63/03/938266303.db2.gz WTYMSHAFXMGTMW-FRFSOERESA-N 2 1 292.854 3.332 20 0 CGADMP CCCCO[C@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1(C)C ZINC001560866365 938280613 /nfs/dbraw/zinc/28/06/13/938280613.db2.gz DKPFPJRTEMUXIJ-JYJNAYRXSA-N 2 1 284.488 3.289 20 0 CGADMP CCCCO[C@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1(C)C ZINC001560866365 938280614 /nfs/dbraw/zinc/28/06/14/938280614.db2.gz DKPFPJRTEMUXIJ-JYJNAYRXSA-N 2 1 284.488 3.289 20 0 CGADMP CCO[C@H](C[NH2+][C@H]1CCCCC12CCCC2)C[NH+](C)C ZINC001561002025 938288650 /nfs/dbraw/zinc/28/86/50/938288650.db2.gz MSFKJZHILLDNKD-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001258774435 960428714 /nfs/dbraw/zinc/42/87/14/960428714.db2.gz OCGDZYMCDGPQLV-QGZVFWFLSA-N 2 1 273.424 3.093 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001258774435 960428722 /nfs/dbraw/zinc/42/87/22/960428722.db2.gz OCGDZYMCDGPQLV-QGZVFWFLSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC001576158734 960476186 /nfs/dbraw/zinc/47/61/86/960476186.db2.gz IOYPCUSDQZFHFI-TVQRCGJNSA-N 2 1 297.240 3.009 20 0 CGADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001574801101 962316858 /nfs/dbraw/zinc/31/68/58/962316858.db2.gz NJIJPOVQFWTDNT-WCXIOVBPSA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)(C)OC1CC([N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC001575248360 962355780 /nfs/dbraw/zinc/35/57/80/962355780.db2.gz WRWFPEJWYLGYOB-MQBCKMQZSA-N 2 1 282.472 3.029 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001575423394 962371440 /nfs/dbraw/zinc/37/14/40/962371440.db2.gz TWBGNIGNLGUIMJ-KBAYOESNSA-N 2 1 274.452 3.170 20 0 CGADMP C[C@H](CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001575934673 962419819 /nfs/dbraw/zinc/41/98/19/962419819.db2.gz RZUZVHLSBJYAJF-HYVNUMGLSA-N 2 1 264.457 3.406 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[NH2+]1 ZINC001576669874 962483871 /nfs/dbraw/zinc/48/38/71/962483871.db2.gz BITLNMUDZDEVQA-MZGVZZPPSA-N 2 1 278.827 3.316 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001577377402 962539106 /nfs/dbraw/zinc/53/91/06/962539106.db2.gz MPVMLXIZOZJWCU-JJXSEGSLSA-N 2 1 252.446 3.181 20 0 CGADMP C[N@@H+](Cc1nc2ccc(F)cc2s1)C1CCC([NH3+])CC1 ZINC001578502317 962592199 /nfs/dbraw/zinc/59/21/99/962592199.db2.gz PBBZIBZMSJAQOU-UHFFFAOYSA-N 2 1 293.411 3.137 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC001578609414 962594240 /nfs/dbraw/zinc/59/42/40/962594240.db2.gz SLLNKKZWIGLBJD-UHFFFAOYSA-N 2 1 272.367 3.163 20 0 CGADMP CO[C@H](C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+])C1CCCCC1 ZINC001578909074 962602575 /nfs/dbraw/zinc/60/25/75/962602575.db2.gz PLHUVJGEDABAIK-HDEZJCGLSA-N 2 1 282.472 3.029 20 0 CGADMP CO[C@H](C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+])C1CCCCC1 ZINC001578909074 962602586 /nfs/dbraw/zinc/60/25/86/962602586.db2.gz PLHUVJGEDABAIK-HDEZJCGLSA-N 2 1 282.472 3.029 20 0 CGADMP COCC[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC001579005798 962612408 /nfs/dbraw/zinc/61/24/08/962612408.db2.gz YVMZABAMAKBKIS-SJORKVTESA-N 2 1 278.440 3.069 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC001579454609 962627716 /nfs/dbraw/zinc/62/77/16/962627716.db2.gz OOETUVWDNVDGSX-ILXRZTDVSA-N 2 1 262.397 3.052 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]([NH3+])C(C)C)cc1C ZINC001579571454 962638146 /nfs/dbraw/zinc/63/81/46/962638146.db2.gz GFNRVGXNGIAOSJ-LXXRFIIISA-N 2 1 260.425 3.198 20 0 CGADMP Cc1ccc(C(C)(C)C[N@@H+](C)C[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC001579664497 962649209 /nfs/dbraw/zinc/64/92/09/962649209.db2.gz PZKRSEHBQPHRDL-DOTOQJQBSA-N 2 1 274.452 3.332 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)cc1F ZINC001579690774 962652435 /nfs/dbraw/zinc/65/24/35/962652435.db2.gz ADUGRIJRBTZYBU-RDJZCZTQSA-N 2 1 276.399 3.085 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001579678672 962653622 /nfs/dbraw/zinc/65/36/22/962653622.db2.gz MYSHLJCPKJGTRW-FUHWJXTLSA-N 2 1 272.436 3.174 20 0 CGADMP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc1 ZINC001579677737 962657845 /nfs/dbraw/zinc/65/78/45/962657845.db2.gz BHOKHBNNHIGFLQ-LMSBXDPUSA-N 2 1 272.436 3.028 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC(C)(C)C[NH3+])C1 ZINC001579795339 962670368 /nfs/dbraw/zinc/67/03/68/962670368.db2.gz NSSXIDWGEQSCJJ-GJZGRUSLSA-N 2 1 260.425 3.158 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001579795336 962674783 /nfs/dbraw/zinc/67/47/83/962674783.db2.gz NPYWMHAQYQIBIC-HZPDHXFCSA-N 2 1 260.425 3.015 20 0 CGADMP Fc1cccc(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC001580033317 962688523 /nfs/dbraw/zinc/68/85/23/962688523.db2.gz HRHLPFIVGLKYTD-KRWDZBQOSA-N 2 1 290.426 3.080 20 0 CGADMP Fc1ccc(/C=C/C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC001580031099 962688695 /nfs/dbraw/zinc/68/86/95/962688695.db2.gz UQDDRMRXTSUICU-XKKXFUJGSA-N 2 1 292.373 3.054 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC001580031099 962688700 /nfs/dbraw/zinc/68/87/00/962688700.db2.gz UQDDRMRXTSUICU-XKKXFUJGSA-N 2 1 292.373 3.054 20 0 CGADMP FC(F)n1cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580024546 962691469 /nfs/dbraw/zinc/69/14/69/962691469.db2.gz ZZPNGLPMRPWIRJ-KBPBESRZSA-N 2 1 297.393 3.095 20 0 CGADMP [NH3+][C@H](C[NH2+]CCCc1ccc(Cl)cc1)CC(F)(F)F ZINC001580132052 962697213 /nfs/dbraw/zinc/69/72/13/962697213.db2.gz KDCQGJOLORZYAA-LBPRGKRZSA-N 2 1 294.748 3.142 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C1CCCCC1 ZINC001580228731 962710069 /nfs/dbraw/zinc/71/00/69/962710069.db2.gz DNQGWAPSMVAVHY-MRXNPFEDSA-N 2 1 271.408 3.165 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCC12CCC2)[NH+](C)C ZINC000337416070 214066744 /nfs/dbraw/zinc/06/67/44/214066744.db2.gz ZIKLEAAOQRZYPA-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000127673774 187325462 /nfs/dbraw/zinc/32/54/62/187325462.db2.gz NERBCXKZYAIKRN-XGACYXMMSA-N 2 1 287.382 3.270 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)oc1C ZINC000337485660 214113567 /nfs/dbraw/zinc/11/35/67/214113567.db2.gz SHJLIBPFCYGZAZ-HUUCEWRRSA-N 2 1 294.439 3.048 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000127821437 187334489 /nfs/dbraw/zinc/33/44/89/187334489.db2.gz XTCMPPAMGBQARI-KBAYOESNSA-N 2 1 274.452 3.499 20 0 CGADMP C[N@@H+](CCCC[NH2+]C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000651599752 398257726 /nfs/dbraw/zinc/25/77/26/398257726.db2.gz GTGYZKUJVDYLCQ-HNNXBMFYSA-N 2 1 288.435 3.017 20 0 CGADMP c1c2cnccc2oc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000651644973 398261866 /nfs/dbraw/zinc/26/18/66/398261866.db2.gz DJGIEMZWGFWDEM-HNNXBMFYSA-N 2 1 299.418 3.136 20 0 CGADMP c1c2cnccc2oc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000651644973 398261870 /nfs/dbraw/zinc/26/18/70/398261870.db2.gz DJGIEMZWGFWDEM-HNNXBMFYSA-N 2 1 299.418 3.136 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000651692747 398270191 /nfs/dbraw/zinc/27/01/91/398270191.db2.gz QBZCCUWLTAXCIY-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000096971773 185144892 /nfs/dbraw/zinc/14/48/92/185144892.db2.gz MKGAFTXVGSMVGV-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000096971773 185144894 /nfs/dbraw/zinc/14/48/94/185144894.db2.gz MKGAFTXVGSMVGV-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000096971773 185144898 /nfs/dbraw/zinc/14/48/98/185144898.db2.gz MKGAFTXVGSMVGV-KRWDZBQOSA-N 2 1 260.425 3.301 20 0 CGADMP COc1cccc(Cl)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000337942928 214324033 /nfs/dbraw/zinc/32/40/33/214324033.db2.gz BPZPZBSEBMHCGG-UHFFFAOYSA-N 2 1 293.798 3.033 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000651866221 398298732 /nfs/dbraw/zinc/29/87/32/398298732.db2.gz ZWRZNTVUCPRPCU-FGTMMUONSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCCC(C)C ZINC000338017010 214361990 /nfs/dbraw/zinc/36/19/90/214361990.db2.gz ILKCKHLVHFXFDF-CQSZACIVSA-N 2 1 251.418 3.386 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423442290 529453480 /nfs/dbraw/zinc/45/34/80/529453480.db2.gz BMZAGQRHRZJVBU-DYVFJYSZSA-N 2 1 269.392 3.137 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423456601 529568189 /nfs/dbraw/zinc/56/81/89/529568189.db2.gz DRYYFXRVMMAAMD-YPMHNXCESA-N 2 1 290.329 3.363 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(C)ccc1OC ZINC000423356685 529605802 /nfs/dbraw/zinc/60/58/02/529605802.db2.gz HDISSFBGSKBMSH-ZBFHGGJFSA-N 2 1 276.424 3.186 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000623086508 349757819 /nfs/dbraw/zinc/75/78/19/349757819.db2.gz WCQNAKRHKLUDMD-UHFFFAOYSA-N 2 1 277.799 3.023 20 0 CGADMP COc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623342655 349784045 /nfs/dbraw/zinc/78/40/45/349784045.db2.gz GYEQPDIZRXXCFP-OCCSQVGLSA-N 2 1 294.414 3.358 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623342655 349784052 /nfs/dbraw/zinc/78/40/52/349784052.db2.gz GYEQPDIZRXXCFP-OCCSQVGLSA-N 2 1 294.414 3.358 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCCc2ccccc2)CC1(C)C ZINC000623344951 349783348 /nfs/dbraw/zinc/78/33/48/349783348.db2.gz KCKZQPSGDBZNTK-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423374951 529650020 /nfs/dbraw/zinc/65/00/20/529650020.db2.gz UDKXYVGGEGALJB-SJCJKPOMSA-N 2 1 272.392 3.236 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423279571 529654059 /nfs/dbraw/zinc/65/40/59/529654059.db2.gz RNIUNSLWXCHYPX-KBPBESRZSA-N 2 1 297.240 3.227 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCC2CCCC2)CC1(C)C ZINC000623346589 349784616 /nfs/dbraw/zinc/78/46/16/349784616.db2.gz XYRLRPUIMKGIFF-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)CC(C)C ZINC000623353423 349786494 /nfs/dbraw/zinc/78/64/94/349786494.db2.gz LBJQSFJBNWHRRJ-DLBZAZTESA-N 3 1 297.531 3.205 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371641 349792831 /nfs/dbraw/zinc/79/28/31/349792831.db2.gz LYYSXIOSWOPBGQ-GXTWGEPZSA-N 2 1 266.454 3.142 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423279573 529668648 /nfs/dbraw/zinc/66/86/48/529668648.db2.gz RNIUNSLWXCHYPX-UONOGXRCSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423279040 529668910 /nfs/dbraw/zinc/66/89/10/529668910.db2.gz QXJAJQPKOHOBFV-VHSXEESVSA-N 2 1 258.818 3.180 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398902 349799017 /nfs/dbraw/zinc/79/90/17/349799017.db2.gz RSEIALTUMNVMLM-IAGOWNOFSA-N 2 1 274.452 3.470 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396573 349797888 /nfs/dbraw/zinc/79/78/88/349797888.db2.gz XYUBNVJFLULFQQ-HNNXBMFYSA-N 2 1 299.462 3.481 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C(C)(C)C)cn1 ZINC000126455383 187241264 /nfs/dbraw/zinc/24/12/64/187241264.db2.gz HEPQWWUGLYLZQB-LBPRGKRZSA-N 2 1 272.396 3.100 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000294983388 199283318 /nfs/dbraw/zinc/28/33/18/199283318.db2.gz GRHRMHZTCXMFHS-RVKKMQEKSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405861 349801121 /nfs/dbraw/zinc/80/11/21/349801121.db2.gz AQBQVNFBKDQBPQ-YOEHRIQHSA-N 2 1 272.436 3.445 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1(C)C ZINC000623424387 349804243 /nfs/dbraw/zinc/80/42/43/349804243.db2.gz PIEAOEXZWQYFGA-HRCADAONSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355091771 282251804 /nfs/dbraw/zinc/25/18/04/282251804.db2.gz XDVLYYMKYDEHEF-IJEWVQPXSA-N 2 1 298.434 3.442 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623429682 349806578 /nfs/dbraw/zinc/80/65/78/349806578.db2.gz MLTQRROFQTYNOL-UHFFFAOYSA-N 2 1 282.391 3.243 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1cccs1 ZINC000623430740 349806642 /nfs/dbraw/zinc/80/66/42/349806642.db2.gz CLFNTXKGEUCHBZ-KGLIPLIRSA-N 2 1 280.481 3.389 20 0 CGADMP COc1cccc(C2([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)c1 ZINC000623446438 349811588 /nfs/dbraw/zinc/81/15/88/349811588.db2.gz CDIHOAYUIDSMFW-OAHLLOKOSA-N 2 1 288.435 3.147 20 0 CGADMP COc1cccc(C2([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)c1 ZINC000623446438 349811589 /nfs/dbraw/zinc/81/15/89/349811589.db2.gz CDIHOAYUIDSMFW-OAHLLOKOSA-N 2 1 288.435 3.147 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000358341460 282273526 /nfs/dbraw/zinc/27/35/26/282273526.db2.gz NTQZFVXOBAQGRW-DIECFANBSA-N 2 1 284.488 3.146 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC000359206464 529729430 /nfs/dbraw/zinc/72/94/30/529729430.db2.gz HQPPKIHDRLWFTM-ZDUSSCGKSA-N 2 1 295.496 3.396 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)CC1(C)C ZINC000623476905 349816704 /nfs/dbraw/zinc/81/67/04/349816704.db2.gz UKUVUHBZMZZRQX-GFCCVEGCSA-N 2 1 260.372 3.027 20 0 CGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC(C)CC1 ZINC000623511340 349824271 /nfs/dbraw/zinc/82/42/71/349824271.db2.gz LBRSKLZBHJCDAH-ISXOHVOVSA-N 2 1 282.472 3.044 20 0 CGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000623529089 349827574 /nfs/dbraw/zinc/82/75/74/349827574.db2.gz VATNQADLFOCUQC-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573522 349839346 /nfs/dbraw/zinc/83/93/46/349839346.db2.gz LSAIJGBJLMCUTE-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc2cc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)[nH]c2c1 ZINC000623657440 349859541 /nfs/dbraw/zinc/85/95/41/349859541.db2.gz QULHTZVCZMLKAC-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000623657695 349859717 /nfs/dbraw/zinc/85/97/17/349859717.db2.gz WUOZKEGIFSTRNT-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000623656104 349856666 /nfs/dbraw/zinc/85/66/66/349856666.db2.gz NDIXFJBFRBXNCK-ZDUSSCGKSA-N 2 1 293.480 3.232 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000623656104 349856670 /nfs/dbraw/zinc/85/66/70/349856670.db2.gz NDIXFJBFRBXNCK-ZDUSSCGKSA-N 2 1 293.480 3.232 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656728 349857817 /nfs/dbraw/zinc/85/78/17/349857817.db2.gz AMICCMVNKOMOMQ-BZUAXINKSA-N 2 1 252.446 3.134 20 0 CGADMP Fc1ccc(/C=C/CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728277 349871722 /nfs/dbraw/zinc/87/17/22/349871722.db2.gz GDUJHHCNMAMUJZ-WHLIDYPQSA-N 2 1 288.410 3.445 20 0 CGADMP Fc1ccc(/C=C/CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728277 349871726 /nfs/dbraw/zinc/87/17/26/349871726.db2.gz GDUJHHCNMAMUJZ-WHLIDYPQSA-N 2 1 288.410 3.445 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000592476611 346993130 /nfs/dbraw/zinc/99/31/30/346993130.db2.gz ISQGXSJJLTYUKC-INIZCTEOSA-N 2 1 284.513 3.374 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2cccnc2o1 ZINC000449030054 529931621 /nfs/dbraw/zinc/93/16/21/529931621.db2.gz QPWHBIOVVFGICH-OAHLLOKOSA-N 2 1 287.407 3.134 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2cccnc2o1 ZINC000449030054 529931622 /nfs/dbraw/zinc/93/16/22/529931622.db2.gz QPWHBIOVVFGICH-OAHLLOKOSA-N 2 1 287.407 3.134 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2cccnc2o1 ZINC000449030054 529931623 /nfs/dbraw/zinc/93/16/23/529931623.db2.gz QPWHBIOVVFGICH-OAHLLOKOSA-N 2 1 287.407 3.134 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2cccnc2o1 ZINC000449030054 529931625 /nfs/dbraw/zinc/93/16/25/529931625.db2.gz QPWHBIOVVFGICH-OAHLLOKOSA-N 2 1 287.407 3.134 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423235369 529978838 /nfs/dbraw/zinc/97/88/38/529978838.db2.gz APIMOEUQEWJYTE-UONOGXRCSA-N 2 1 286.341 3.151 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649414 344951870 /nfs/dbraw/zinc/95/18/70/344951870.db2.gz ZMBWCOGXWSTDPR-CABCVRRESA-N 2 1 288.435 3.139 20 0 CGADMP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000043314283 344996512 /nfs/dbraw/zinc/99/65/12/344996512.db2.gz LPTIRDRNDBAGFF-MRXNPFEDSA-N 2 1 260.425 3.123 20 0 CGADMP CC[C@@](C)([NH2+]CCCn1cc[nH+]c1C)c1nc(C)cs1 ZINC000127446020 187307208 /nfs/dbraw/zinc/30/72/08/187307208.db2.gz YXBDKCQJYPLHSO-OAHLLOKOSA-N 2 1 292.452 3.262 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1F ZINC000080959829 345692016 /nfs/dbraw/zinc/69/20/16/345692016.db2.gz TUJHALUOXYMHSW-LBPRGKRZSA-N 2 1 277.318 3.068 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000129570719 346050143 /nfs/dbraw/zinc/05/01/43/346050143.db2.gz RACCMMHNPQUDEV-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1sccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000351666098 219168862 /nfs/dbraw/zinc/16/88/62/219168862.db2.gz UXAYDWKCLHYVKN-HNNXBMFYSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1sccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000351666098 219168865 /nfs/dbraw/zinc/16/88/65/219168865.db2.gz UXAYDWKCLHYVKN-HNNXBMFYSA-N 2 1 278.465 3.364 20 0 CGADMP CCc1nocc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000339179617 215000310 /nfs/dbraw/zinc/00/03/10/215000310.db2.gz UOBNOUZDSHIATN-UHFFFAOYSA-N 2 1 299.418 3.123 20 0 CGADMP CC[C@@H](C)[NH2+][C@@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000165997321 346185628 /nfs/dbraw/zinc/18/56/28/346185628.db2.gz HZQYVYAXQZSILW-WBVHZDCISA-N 2 1 278.440 3.084 20 0 CGADMP CC[C@@H](C)[NH2+][C@@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000165997321 346185631 /nfs/dbraw/zinc/18/56/31/346185631.db2.gz HZQYVYAXQZSILW-WBVHZDCISA-N 2 1 278.440 3.084 20 0 CGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000624119607 349975159 /nfs/dbraw/zinc/97/51/59/349975159.db2.gz FWMFLGRGRGZTIK-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000624119607 349975163 /nfs/dbraw/zinc/97/51/63/349975163.db2.gz FWMFLGRGRGZTIK-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000400120438 346588827 /nfs/dbraw/zinc/58/88/27/346588827.db2.gz PAJGUWWYKCAWLN-AZWGFFAPSA-N 2 1 264.457 3.131 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000584869217 346719872 /nfs/dbraw/zinc/71/98/72/346719872.db2.gz WSYYBWVEVGTWNQ-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000584869217 346719876 /nfs/dbraw/zinc/71/98/76/346719876.db2.gz WSYYBWVEVGTWNQ-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000600192100 347791662 /nfs/dbraw/zinc/79/16/62/347791662.db2.gz SSMROSVVXNBANI-QGZVFWFLSA-N 2 1 292.492 3.241 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864681 219230372 /nfs/dbraw/zinc/23/03/72/219230372.db2.gz YXGWXPYASMEXED-GUTXKFCHSA-N 2 1 285.391 3.072 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864681 219230374 /nfs/dbraw/zinc/23/03/74/219230374.db2.gz YXGWXPYASMEXED-GUTXKFCHSA-N 2 1 285.391 3.072 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000624120464 349976599 /nfs/dbraw/zinc/97/65/99/349976599.db2.gz ZXRLUKXBYIFFBN-CRAIPNDOSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000351866992 219231408 /nfs/dbraw/zinc/23/14/08/219231408.db2.gz VSPSRBPAHJZLIN-KSSFIOAISA-N 2 1 268.404 3.051 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119866 349977533 /nfs/dbraw/zinc/97/75/33/349977533.db2.gz LBXWHFOAIAORCZ-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CC2 ZINC000624121003 349978625 /nfs/dbraw/zinc/97/86/25/349978625.db2.gz LMJOSCUWXYEBMI-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121172 349978694 /nfs/dbraw/zinc/97/86/94/349978694.db2.gz PNEACBRZEAPQIL-VKJFTORMSA-N 2 1 272.436 3.241 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120691 349978183 /nfs/dbraw/zinc/97/81/83/349978183.db2.gz FGRVLAKESUTITB-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C12CCCC2 ZINC000624122259 349980462 /nfs/dbraw/zinc/98/04/62/349980462.db2.gz NFLOSRGQJSEXNH-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122499 349981652 /nfs/dbraw/zinc/98/16/52/349981652.db2.gz SWMZNWSBTGILKR-CABCVRRESA-N 2 1 278.415 3.078 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000624123679 349982341 /nfs/dbraw/zinc/98/23/41/349982341.db2.gz QGVYCONKEWBGDA-PMPSAXMXSA-N 2 1 270.436 3.226 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000624123322 349983125 /nfs/dbraw/zinc/98/31/25/349983125.db2.gz JWNKCBCUXUYPCD-CHWSQXEVSA-N 2 1 297.393 3.402 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000624123322 349983126 /nfs/dbraw/zinc/98/31/26/349983126.db2.gz JWNKCBCUXUYPCD-CHWSQXEVSA-N 2 1 297.393 3.402 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc2cnccc2o1 ZINC000624123226 349983162 /nfs/dbraw/zinc/98/31/62/349983162.db2.gz IGYODDDORIPUGZ-KBPBESRZSA-N 2 1 287.407 3.210 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000624123226 349983163 /nfs/dbraw/zinc/98/31/63/349983163.db2.gz IGYODDDORIPUGZ-KBPBESRZSA-N 2 1 287.407 3.210 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCCOc1ccccc1 ZINC000339409410 215151638 /nfs/dbraw/zinc/15/16/38/215151638.db2.gz MEZBKYGNQFXNDX-KRWDZBQOSA-N 2 1 278.440 3.151 20 0 CGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cnn1C(C)C ZINC000624124076 349982528 /nfs/dbraw/zinc/98/25/28/349982528.db2.gz WLGXEBZNVOYIED-HOCLYGCPSA-N 2 1 292.471 3.155 20 0 CGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cnn1C(C)C ZINC000624124076 349982533 /nfs/dbraw/zinc/98/25/33/349982533.db2.gz WLGXEBZNVOYIED-HOCLYGCPSA-N 2 1 292.471 3.155 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000339409166 215152114 /nfs/dbraw/zinc/15/21/14/215152114.db2.gz XOTZJAZKHADJPJ-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435702 215167281 /nfs/dbraw/zinc/16/72/81/215167281.db2.gz AQBGDIYBDGQJRW-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339435702 215167283 /nfs/dbraw/zinc/16/72/83/215167283.db2.gz AQBGDIYBDGQJRW-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339435702 215167285 /nfs/dbraw/zinc/16/72/85/215167285.db2.gz AQBGDIYBDGQJRW-SFHVURJKSA-N 2 1 272.436 3.167 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000358134228 233063038 /nfs/dbraw/zinc/06/30/38/233063038.db2.gz AKVJSUPYKVYYCR-FZMZJTMJSA-N 2 1 284.806 3.094 20 0 CGADMP Oc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000625139421 350132565 /nfs/dbraw/zinc/13/25/65/350132565.db2.gz DDFXCSUFDTUCIP-CYBMUJFWSA-N 2 1 291.782 3.079 20 0 CGADMP Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000625139421 350132573 /nfs/dbraw/zinc/13/25/73/350132573.db2.gz DDFXCSUFDTUCIP-CYBMUJFWSA-N 2 1 291.782 3.079 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@H]1n1ccnc1 ZINC000271282881 191048211 /nfs/dbraw/zinc/04/82/11/191048211.db2.gz PQFSPSDIMWNOHI-WMLDXEAASA-N 2 1 294.402 3.448 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)n1 ZINC000359379552 233309065 /nfs/dbraw/zinc/30/90/65/233309065.db2.gz ANSBVCSTRQCFPI-ZIAGYGMSSA-N 2 1 290.455 3.009 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)n1 ZINC000359379552 233309066 /nfs/dbraw/zinc/30/90/66/233309066.db2.gz ANSBVCSTRQCFPI-ZIAGYGMSSA-N 2 1 290.455 3.009 20 0 CGADMP Cc1nccn1CCCC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626104299 350260822 /nfs/dbraw/zinc/26/08/22/350260822.db2.gz LSLWJECWIWVSIU-HOTGVXAUSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626104299 350260826 /nfs/dbraw/zinc/26/08/26/350260826.db2.gz LSLWJECWIWVSIU-HOTGVXAUSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626104299 350260827 /nfs/dbraw/zinc/26/08/27/350260827.db2.gz LSLWJECWIWVSIU-HOTGVXAUSA-N 2 1 261.413 3.236 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628210060 350441083 /nfs/dbraw/zinc/44/10/83/350441083.db2.gz FOODHFTZYXQUBJ-IRXDYDNUSA-N 2 1 274.452 3.420 20 0 CGADMP Cc1ccc2ncc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc2c1 ZINC000629535379 350705187 /nfs/dbraw/zinc/70/51/87/350705187.db2.gz FWQFACWFMPWOBC-INIZCTEOSA-N 2 1 271.408 3.006 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)CC3 ZINC000629542782 350708724 /nfs/dbraw/zinc/70/87/24/350708724.db2.gz LPZWPJMDPJCNNL-KFWWJZLASA-N 2 1 297.446 3.064 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000629559339 350712617 /nfs/dbraw/zinc/71/26/17/350712617.db2.gz AVPGUBCHVVYPMQ-KGLIPLIRSA-N 2 1 292.389 3.416 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]C1 ZINC000629649618 350730752 /nfs/dbraw/zinc/73/07/52/350730752.db2.gz DMNKAFXVPUVOGW-YOEHRIQHSA-N 2 1 294.389 3.144 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]C1 ZINC000629649618 350730754 /nfs/dbraw/zinc/73/07/54/350730754.db2.gz DMNKAFXVPUVOGW-YOEHRIQHSA-N 2 1 294.389 3.144 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000629654898 350731402 /nfs/dbraw/zinc/73/14/02/350731402.db2.gz UCMGPLADGOPZAF-YESZJQIVSA-N 2 1 260.425 3.156 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629674167 350734512 /nfs/dbraw/zinc/73/45/12/350734512.db2.gz XKLJYTTUEHWNLR-CYBMUJFWSA-N 2 1 252.789 3.044 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631035190 350932274 /nfs/dbraw/zinc/93/22/74/350932274.db2.gz CEXIAHZCWFUGHN-UHFFFAOYSA-N 2 1 297.393 3.231 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cccnc3c2)CC1(C)C ZINC000631206276 350991373 /nfs/dbraw/zinc/99/13/73/350991373.db2.gz FWQVXXIKGAZPHG-MRXNPFEDSA-N 2 1 283.419 3.197 20 0 CGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)F)CC2)C1 ZINC000631658255 351107649 /nfs/dbraw/zinc/10/76/49/351107649.db2.gz JYSJDLDMZLGTRT-DZGCQCFKSA-N 2 1 270.436 3.367 20 0 CGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631663014 351109512 /nfs/dbraw/zinc/10/95/12/351109512.db2.gz ORXQWSBBFINALJ-HNNXBMFYSA-N 2 1 292.442 3.420 20 0 CGADMP CC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668537 351113035 /nfs/dbraw/zinc/11/30/35/351113035.db2.gz YPKGQJYLYKJEOK-ZOBUZTSGSA-N 2 1 260.425 3.143 20 0 CGADMP CCC(C)(C)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000631683494 351118363 /nfs/dbraw/zinc/11/83/63/351118363.db2.gz LHGCYNQOSYSVTN-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(C)ccn1 ZINC000631569544 351069604 /nfs/dbraw/zinc/06/96/04/351069604.db2.gz KDJIAXJLXMXDSU-JKSUJKDBSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(C)ccn1 ZINC000631569544 351069607 /nfs/dbraw/zinc/06/96/07/351069607.db2.gz KDJIAXJLXMXDSU-JKSUJKDBSA-N 2 1 275.440 3.163 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634677849 351563972 /nfs/dbraw/zinc/56/39/72/351563972.db2.gz AHQJNRNPEQOMLQ-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000634683487 351570046 /nfs/dbraw/zinc/57/00/46/351570046.db2.gz SHMWQQFKRLNLID-WBVHZDCISA-N 2 1 294.483 3.331 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2c1 ZINC000634688533 351574038 /nfs/dbraw/zinc/57/40/38/351574038.db2.gz VURPMWBZLZNELC-JKSUJKDBSA-N 2 1 295.430 3.056 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)[C@@H]3CCCC[C@H]23)cc1 ZINC000634995120 351619649 /nfs/dbraw/zinc/61/96/49/351619649.db2.gz VQOWAJMXKVFJLV-FXHOZGQOSA-N 2 1 296.458 3.397 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1F ZINC000635010254 351628392 /nfs/dbraw/zinc/62/83/92/351628392.db2.gz RHTMVJXFFDPZSW-FVQBIDKESA-N 2 1 294.389 3.365 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123350248 187086357 /nfs/dbraw/zinc/08/63/57/187086357.db2.gz BNSRHAZQLLVXAW-UKRRQHHQSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123350248 187086358 /nfs/dbraw/zinc/08/63/58/187086358.db2.gz BNSRHAZQLLVXAW-UKRRQHHQSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)cc2)CC[NH+]1C ZINC000123350248 187086359 /nfs/dbraw/zinc/08/63/59/187086359.db2.gz BNSRHAZQLLVXAW-UKRRQHHQSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)cc2)CC[NH+]1C ZINC000123350248 187086360 /nfs/dbraw/zinc/08/63/60/187086360.db2.gz BNSRHAZQLLVXAW-UKRRQHHQSA-N 2 1 296.842 3.133 20 0 CGADMP Fc1cc2cccnc2c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363890567 234007257 /nfs/dbraw/zinc/00/72/57/234007257.db2.gz QGLZVWUHOHDJQD-SJORKVTESA-N 2 1 299.393 3.090 20 0 CGADMP Fc1cc2cccnc2c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000363890567 234007259 /nfs/dbraw/zinc/00/72/59/234007259.db2.gz QGLZVWUHOHDJQD-SJORKVTESA-N 2 1 299.393 3.090 20 0 CGADMP Fc1cc2cccnc2c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363890564 234008085 /nfs/dbraw/zinc/00/80/85/234008085.db2.gz QGLZVWUHOHDJQD-DLBZAZTESA-N 2 1 299.393 3.090 20 0 CGADMP Fc1cc2cccnc2c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000363890564 234008089 /nfs/dbraw/zinc/00/80/89/234008089.db2.gz QGLZVWUHOHDJQD-DLBZAZTESA-N 2 1 299.393 3.090 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](CCCc3ccccc3Cl)C2)C1 ZINC000292108424 198166442 /nfs/dbraw/zinc/16/64/42/198166442.db2.gz ISFHUCSXZCPEBQ-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCc3ccccc3Cl)C2)C1 ZINC000292108424 198166444 /nfs/dbraw/zinc/16/64/44/198166444.db2.gz ISFHUCSXZCPEBQ-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCc3ccccc3Cl)C2)C1 ZINC000292108424 198166445 /nfs/dbraw/zinc/16/64/45/198166445.db2.gz ISFHUCSXZCPEBQ-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3ccccc3Cl)C2)C1 ZINC000292108424 198166447 /nfs/dbraw/zinc/16/64/47/198166447.db2.gz ISFHUCSXZCPEBQ-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP COc1ccsc1[C@H](C)NCc1cnc2n1CCCC2 ZINC000367439129 234214813 /nfs/dbraw/zinc/21/48/13/234214813.db2.gz ROUQAGSCQRGBHH-NSHDSACASA-N 2 1 291.420 3.140 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368098281 234280390 /nfs/dbraw/zinc/28/03/90/234280390.db2.gz BILSYPHNCGPYTC-SOZUMNATSA-N 2 1 299.393 3.319 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000152890354 188050922 /nfs/dbraw/zinc/05/09/22/188050922.db2.gz MEALFQPCYBOEHG-GLJUWKHASA-N 2 1 299.418 3.399 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000153463686 188083851 /nfs/dbraw/zinc/08/38/51/188083851.db2.gz ZENPHUZWKBNBPF-XJKSGUPXSA-N 2 1 285.391 3.010 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000155185392 188189511 /nfs/dbraw/zinc/18/95/11/188189511.db2.gz VRJURNIFZUVUON-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000155185392 188189512 /nfs/dbraw/zinc/18/95/12/188189512.db2.gz VRJURNIFZUVUON-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccs1 ZINC000155185392 188189513 /nfs/dbraw/zinc/18/95/13/188189513.db2.gz VRJURNIFZUVUON-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccs1 ZINC000155185392 188189515 /nfs/dbraw/zinc/18/95/15/188189515.db2.gz VRJURNIFZUVUON-ZDUSSCGKSA-N 2 1 252.427 3.054 20 0 CGADMP CCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000156287292 188253143 /nfs/dbraw/zinc/25/31/43/188253143.db2.gz HFVDUPDQEWJNIB-HUBLWGQQSA-N 2 1 266.454 3.129 20 0 CGADMP CC[N@H+](C)Cc1cccc(CNc2cccc(C)[nH+]2)c1 ZINC000157218023 188303807 /nfs/dbraw/zinc/30/38/07/188303807.db2.gz OARNNIADFDVCAK-UHFFFAOYSA-N 2 1 269.392 3.454 20 0 CGADMP CC[N@@H+](C)Cc1cccc(CNc2cccc(C)[nH+]2)c1 ZINC000157218023 188303808 /nfs/dbraw/zinc/30/38/08/188303808.db2.gz OARNNIADFDVCAK-UHFFFAOYSA-N 2 1 269.392 3.454 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)C1CC1 ZINC000340190580 215481198 /nfs/dbraw/zinc/48/11/98/215481198.db2.gz IERXWYJBXGMPGI-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000248342481 283002186 /nfs/dbraw/zinc/00/21/86/283002186.db2.gz JOKAKBASPZHZOF-KSSFIOAISA-N 2 1 288.410 3.231 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000248342481 283002191 /nfs/dbraw/zinc/00/21/91/283002191.db2.gz JOKAKBASPZHZOF-KSSFIOAISA-N 2 1 288.410 3.231 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC000271873193 191382185 /nfs/dbraw/zinc/38/21/85/191382185.db2.gz NFXKAYKROPRIFV-MRXNPFEDSA-N 2 1 280.362 3.267 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000271850076 191367000 /nfs/dbraw/zinc/36/70/00/191367000.db2.gz INRALJCQDXCQDW-NSHDSACASA-N 2 1 282.790 3.392 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271857191 191371641 /nfs/dbraw/zinc/37/16/41/191371641.db2.gz JQZZJEMKVUXMHZ-HNNXBMFYSA-N 2 1 258.409 3.216 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC000271871393 191380262 /nfs/dbraw/zinc/38/02/62/191380262.db2.gz MRVHDDVZSQPTPU-INIZCTEOSA-N 2 1 280.362 3.267 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1 ZINC000271872439 191381402 /nfs/dbraw/zinc/38/14/02/191381402.db2.gz MZDMIYOGBPOSLA-OAHLLOKOSA-N 2 1 258.409 3.216 20 0 CGADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cnn1C(C)C ZINC000414196019 235360472 /nfs/dbraw/zinc/36/04/72/235360472.db2.gz UXZAYFFNVATBBR-HOCLYGCPSA-N 2 1 292.471 3.155 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414170405 235352890 /nfs/dbraw/zinc/35/28/90/235352890.db2.gz BVVQUCXBTJMBFG-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414201150 235362661 /nfs/dbraw/zinc/36/26/61/235362661.db2.gz YDSFUXPPCNIOJF-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP c1coc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414338221 235391651 /nfs/dbraw/zinc/39/16/51/235391651.db2.gz LQMULZWDENIMAM-QZTJIDSGSA-N 2 1 296.414 3.390 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H]2CCC[C@@H]21 ZINC000353619646 283132409 /nfs/dbraw/zinc/13/24/09/283132409.db2.gz IDJUBUPMMVXYPS-RDBSUJKOSA-N 2 1 272.383 3.027 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000353610888 283140245 /nfs/dbraw/zinc/14/02/45/283140245.db2.gz BEUULRFHVBKCOV-QPSCCSFWSA-N 2 1 250.430 3.028 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000414902436 235492046 /nfs/dbraw/zinc/49/20/46/235492046.db2.gz YGKNFEYXXDTCRN-SFHVURJKSA-N 2 1 282.387 3.306 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000353564902 283179544 /nfs/dbraw/zinc/17/95/44/283179544.db2.gz PNEXGPMXOJBYIN-LSDHHAIUSA-N 2 1 278.440 3.033 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000353564902 283179546 /nfs/dbraw/zinc/17/95/46/283179546.db2.gz PNEXGPMXOJBYIN-LSDHHAIUSA-N 2 1 278.440 3.033 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000111695867 138364583 /nfs/dbraw/zinc/36/45/83/138364583.db2.gz MCGXYXWBIGNKRV-YPMHNXCESA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000111695867 138364584 /nfs/dbraw/zinc/36/45/84/138364584.db2.gz MCGXYXWBIGNKRV-YPMHNXCESA-N 2 1 286.341 3.265 20 0 CGADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000124688365 138376721 /nfs/dbraw/zinc/37/67/21/138376721.db2.gz NWZDVLVKYVDHMA-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000124688365 138376723 /nfs/dbraw/zinc/37/67/23/138376723.db2.gz NWZDVLVKYVDHMA-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1 ZINC000124688365 138376725 /nfs/dbraw/zinc/37/67/25/138376725.db2.gz NWZDVLVKYVDHMA-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(Cl)c1 ZINC000124688365 138376726 /nfs/dbraw/zinc/37/67/26/138376726.db2.gz NWZDVLVKYVDHMA-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCS3)CC2)cc1 ZINC000123949832 138371762 /nfs/dbraw/zinc/37/17/62/138371762.db2.gz ZKMSAVWGPMSSIL-QGZVFWFLSA-N 2 1 290.476 3.136 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000127133846 138388636 /nfs/dbraw/zinc/38/86/36/138388636.db2.gz OIMZEGNOFXVLKI-LLVKDONJSA-N 2 1 290.329 3.188 20 0 CGADMP Cc1cc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000128019369 138391934 /nfs/dbraw/zinc/39/19/34/138391934.db2.gz JKYZBZNMRDOWFK-NWANDNLSSA-N 2 1 262.397 3.174 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000128019369 138391935 /nfs/dbraw/zinc/39/19/35/138391935.db2.gz JKYZBZNMRDOWFK-NWANDNLSSA-N 2 1 262.397 3.174 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000128019369 138391937 /nfs/dbraw/zinc/39/19/37/138391937.db2.gz JKYZBZNMRDOWFK-NWANDNLSSA-N 2 1 262.397 3.174 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423260873 236012635 /nfs/dbraw/zinc/01/26/35/236012635.db2.gz IOAUDFNXSOFREV-DZGCQCFKSA-N 2 1 264.413 3.109 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423331287 236040816 /nfs/dbraw/zinc/04/08/16/236040816.db2.gz QBPQQPZUEMOGLF-CHWSQXEVSA-N 2 1 273.424 3.161 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000423393914 236062002 /nfs/dbraw/zinc/06/20/02/236062002.db2.gz MKECPIMQVSGMGH-OBJOEFQTSA-N 2 1 298.377 3.245 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423362500 236050127 /nfs/dbraw/zinc/05/01/27/236050127.db2.gz IFTJQPKYJZARAT-GJZGRUSLSA-N 2 1 284.403 3.263 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000423399762 236064796 /nfs/dbraw/zinc/06/47/96/236064796.db2.gz UYXNKAXVWHMAQR-JFIYKMOQSA-N 2 1 281.403 3.031 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2)s1 ZINC000423431872 236070630 /nfs/dbraw/zinc/07/06/30/236070630.db2.gz LZNRFQISUOUIIL-HVOFVXBASA-N 2 1 284.428 3.284 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)C1CCCCCC1 ZINC000423489504 236084669 /nfs/dbraw/zinc/08/46/69/236084669.db2.gz XGVVMMQSNINEGS-JSGCOSHPSA-N 2 1 274.399 3.180 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(Cl)c1 ZINC000424286974 236142169 /nfs/dbraw/zinc/14/21/69/236142169.db2.gz QWFLPTIOHUXBEP-GFCCVEGCSA-N 2 1 294.826 3.261 20 0 CGADMP c1c2ccccc2sc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427139374 236323818 /nfs/dbraw/zinc/32/38/18/236323818.db2.gz FYMKKNVGMLYOOJ-DZGCQCFKSA-N 2 1 272.417 3.085 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427139374 236323819 /nfs/dbraw/zinc/32/38/19/236323819.db2.gz FYMKKNVGMLYOOJ-DZGCQCFKSA-N 2 1 272.417 3.085 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CCC)C2)c1 ZINC000479542518 535431674 /nfs/dbraw/zinc/43/16/74/535431674.db2.gz KEMJGUKBQDEHIZ-SFHVURJKSA-N 2 1 274.452 3.461 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000356831662 299288968 /nfs/dbraw/zinc/28/89/68/299288968.db2.gz DXMFGDHXGWDDMB-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000435374881 236930589 /nfs/dbraw/zinc/93/05/89/236930589.db2.gz RXCDNXUHHJGGOP-UONOGXRCSA-N 2 1 270.376 3.116 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000178380130 189111590 /nfs/dbraw/zinc/11/15/90/189111590.db2.gz KRXLGKRJNBQIAO-HUUCEWRRSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000178697083 189138113 /nfs/dbraw/zinc/13/81/13/189138113.db2.gz XGUCLFQZQFWTNY-NWDGAFQWSA-N 2 1 293.361 3.457 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000180506674 189259166 /nfs/dbraw/zinc/25/91/66/189259166.db2.gz YOZGIMKIFKRBLW-CJNGLKHVSA-N 2 1 280.843 3.345 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181600280 189302111 /nfs/dbraw/zinc/30/21/11/189302111.db2.gz JZQILGTYFWPVOK-GDBMZVCRSA-N 2 1 290.451 3.045 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2cccc(F)c2)CC[N@@H+]1C ZINC000182824653 189336045 /nfs/dbraw/zinc/33/60/45/189336045.db2.gz NZZDSVLJWPIUGV-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2cccc(F)c2)CC[N@H+]1C ZINC000182824653 189336046 /nfs/dbraw/zinc/33/60/46/189336046.db2.gz NZZDSVLJWPIUGV-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2cccc(F)c2)CC[NH+]1C ZINC000182824653 189336047 /nfs/dbraw/zinc/33/60/47/189336047.db2.gz NZZDSVLJWPIUGV-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2cccc(F)c2)CC[NH+]1C ZINC000182824653 189336048 /nfs/dbraw/zinc/33/60/48/189336048.db2.gz NZZDSVLJWPIUGV-YOEHRIQHSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H](Nc1cc[nH+]cc1Cl)C(C)(C)C[NH+](C)C ZINC000301623534 201100479 /nfs/dbraw/zinc/10/04/79/201100479.db2.gz FNSGLJPJFOJEAE-JTQLQIEISA-N 2 1 255.793 3.123 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000449079791 239164438 /nfs/dbraw/zinc/16/44/38/239164438.db2.gz QAFRIFATCPCOHN-RBSFLKMASA-N 2 1 264.413 3.063 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000449079791 239164446 /nfs/dbraw/zinc/16/44/46/239164446.db2.gz QAFRIFATCPCOHN-RBSFLKMASA-N 2 1 264.413 3.063 20 0 CGADMP CC[N@@H+](C)CCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000302096545 201340013 /nfs/dbraw/zinc/34/00/13/201340013.db2.gz SJNHYODTVKHBIX-UHFFFAOYSA-N 2 1 257.381 3.215 20 0 CGADMP C[C@H](C[NH2+]Cc1cc2cccnc2o1)C[NH+]1CCCCC1 ZINC000449093661 239174779 /nfs/dbraw/zinc/17/47/79/239174779.db2.gz WVXMZOFNGALIED-CQSZACIVSA-N 2 1 287.407 3.039 20 0 CGADMP COCC1CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000449171591 239220953 /nfs/dbraw/zinc/22/09/53/239220953.db2.gz LBZCTHFCGZOWGQ-DAWZGUTISA-N 2 1 294.483 3.046 20 0 CGADMP COCC1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000449171591 239220959 /nfs/dbraw/zinc/22/09/59/239220959.db2.gz LBZCTHFCGZOWGQ-DAWZGUTISA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C(C)(C)C ZINC000451442307 240303981 /nfs/dbraw/zinc/30/39/81/240303981.db2.gz VISUIGHXMKUGRZ-CQSZACIVSA-N 2 1 251.418 3.386 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275496442 193058312 /nfs/dbraw/zinc/05/83/12/193058312.db2.gz LRDMMPYRYSOHEW-ROUUACIJSA-N 2 1 270.420 3.174 20 0 CGADMP CCC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCC1 ZINC000453097806 240701559 /nfs/dbraw/zinc/70/15/59/240701559.db2.gz IWAZTLJICYKVGS-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP c1cncc(-c2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2)c1 ZINC000335561660 212269330 /nfs/dbraw/zinc/26/93/30/212269330.db2.gz NXXSPJLTJJICNC-UHFFFAOYSA-N 2 1 293.414 3.077 20 0 CGADMP CCOc1ccccc1[C@@H](CC)[NH2+]CCc1c[nH+]cn1C ZINC000459392128 242096822 /nfs/dbraw/zinc/09/68/22/242096822.db2.gz LHIVYTKPMHIZBN-MRXNPFEDSA-N 2 1 287.407 3.102 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000459666315 242168164 /nfs/dbraw/zinc/16/81/64/242168164.db2.gz LPBXTLZGSKQUDJ-IUODEOHRSA-N 2 1 296.817 3.409 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C[NH+](C)C ZINC000459741881 242203762 /nfs/dbraw/zinc/20/37/62/242203762.db2.gz CCSROKJKPQQZEF-MSOLQXFVSA-N 2 1 287.451 3.095 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000459742375 242204578 /nfs/dbraw/zinc/20/45/78/242204578.db2.gz VYEQNGIKYJSUGQ-IIAWOOMASA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)CC[N@@H+]1C ZINC000462881191 242372965 /nfs/dbraw/zinc/37/29/65/242372965.db2.gz LQOQGAPULRCOQX-YPMHNXCESA-N 2 1 289.810 3.205 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)CC[N@H+]1C ZINC000462881191 242372967 /nfs/dbraw/zinc/37/29/67/242372967.db2.gz LQOQGAPULRCOQX-YPMHNXCESA-N 2 1 289.810 3.205 20 0 CGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3cc(F)ccc23)CC[N@H+]1C ZINC000462896475 242373760 /nfs/dbraw/zinc/37/37/60/242373760.db2.gz UPBYSZONGRYVKT-WCQYABFASA-N 2 1 273.355 3.269 20 0 CGADMP c1ccc2c(N[C@@H]3CC[N@H+](CC4CCCC4)C3)cc[nH+]c2c1 ZINC000462945456 242376003 /nfs/dbraw/zinc/37/60/03/242376003.db2.gz MNWIQVLRLDGTPB-MRXNPFEDSA-N 2 1 295.430 3.333 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275903050 193158900 /nfs/dbraw/zinc/15/89/00/193158900.db2.gz SMYFVZKUDHIUGE-ROUUACIJSA-N 2 1 283.419 3.292 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000468552634 242646375 /nfs/dbraw/zinc/64/63/75/242646375.db2.gz HRPIUMQCCJYQGY-JZXOWHBKSA-N 2 1 274.452 3.388 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000468552634 242646380 /nfs/dbraw/zinc/64/63/80/242646380.db2.gz HRPIUMQCCJYQGY-JZXOWHBKSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C[C@H]1CC=CCC1 ZINC000479611531 243116338 /nfs/dbraw/zinc/11/63/38/243116338.db2.gz WUVUOQWASMVSBN-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479702698 243121669 /nfs/dbraw/zinc/12/16/69/243121669.db2.gz SQFSJTADNHCJIM-CRAIPNDOSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCC[C@H]1C ZINC000449086249 299387301 /nfs/dbraw/zinc/38/73/01/299387301.db2.gz BLCADQFLKGAPSW-ALYAQQCSSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc2[nH]c(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)cc2c(C)c1 ZINC000481991636 243212235 /nfs/dbraw/zinc/21/22/35/243212235.db2.gz ONBZQPXZBSMCEH-HNNXBMFYSA-N 2 1 285.435 3.168 20 0 CGADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)cc2c(C)c1 ZINC000481991636 243212240 /nfs/dbraw/zinc/21/22/40/243212240.db2.gz ONBZQPXZBSMCEH-HNNXBMFYSA-N 2 1 285.435 3.168 20 0 CGADMP C[N@@H+](CCC[NH2+]C/C=C/c1ccncc1)Cc1ccccc1 ZINC000486966286 243387736 /nfs/dbraw/zinc/38/77/36/243387736.db2.gz FUUYKBXWPVKITK-WEVVVXLNSA-N 2 1 295.430 3.207 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000123601325 370912740 /nfs/dbraw/zinc/91/27/40/370912740.db2.gz IBMVGUNQLGIXBX-AAEUAGOBSA-N 2 1 258.365 3.053 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000019943272 368787659 /nfs/dbraw/zinc/78/76/59/368787659.db2.gz PGKHYYKIFIGWHT-CQSZACIVSA-N 2 1 294.439 3.086 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000019959002 368789549 /nfs/dbraw/zinc/78/95/49/368789549.db2.gz PXSYMOXUYWXYAH-AWEZNQCLSA-N 2 1 264.413 3.078 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000020091811 368800539 /nfs/dbraw/zinc/80/05/39/368800539.db2.gz RGNYKQGYIXNOHX-OAHLLOKOSA-N 2 1 278.440 3.324 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994844 368922042 /nfs/dbraw/zinc/92/20/42/368922042.db2.gz UJYVUFHDIBSGTJ-GOSISDBHSA-N 2 1 266.388 3.025 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000036997674 369048619 /nfs/dbraw/zinc/04/86/19/369048619.db2.gz QQMUKOMHAVDMDM-ZDUSSCGKSA-N 2 1 280.843 3.345 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000035047605 368994018 /nfs/dbraw/zinc/99/40/18/368994018.db2.gz KKNZYLROTCHEKM-CQSZACIVSA-N 2 1 280.412 3.046 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140908 369067933 /nfs/dbraw/zinc/06/79/33/369067933.db2.gz LZXLPOYUQNLZEP-SFHVURJKSA-N 2 1 270.420 3.280 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000037644106 369093566 /nfs/dbraw/zinc/09/35/66/369093566.db2.gz XVLZMUZKQNEORO-CZUORRHYSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1ccccc1C1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000037648926 369094343 /nfs/dbraw/zinc/09/43/43/369094343.db2.gz YPEIMHWNWLOCRB-KLAILNCOSA-N 2 1 284.447 3.315 20 0 CGADMP CCc1ncc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000037923732 369125301 /nfs/dbraw/zinc/12/53/01/369125301.db2.gz FUGOHBSTHHTHJE-ZDUSSCGKSA-N 2 1 281.469 3.060 20 0 CGADMP CCc1ncc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000037923732 369125302 /nfs/dbraw/zinc/12/53/02/369125302.db2.gz FUGOHBSTHHTHJE-ZDUSSCGKSA-N 2 1 281.469 3.060 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000038098215 369144561 /nfs/dbraw/zinc/14/45/61/369144561.db2.gz UIGHIFPOLORYBH-QGZVFWFLSA-N 2 1 276.399 3.351 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000042437627 369220978 /nfs/dbraw/zinc/22/09/78/369220978.db2.gz DCZJTTRMHFSCHP-UHFFFAOYSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@H]1[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000494923185 244331025 /nfs/dbraw/zinc/33/10/25/244331025.db2.gz LGIVZIHMIGFVNQ-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000494923185 244331029 /nfs/dbraw/zinc/33/10/29/244331029.db2.gz LGIVZIHMIGFVNQ-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP C(=C/c1ccncc1)\C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000494970889 244339888 /nfs/dbraw/zinc/33/98/88/244339888.db2.gz IEGIJKPZVGCMIW-WAHQUVNVSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C/c1ccncc1)\C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000494970889 244339894 /nfs/dbraw/zinc/33/98/94/244339894.db2.gz IEGIJKPZVGCMIW-WAHQUVNVSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C/c1ccncc1)\C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000494970889 244339898 /nfs/dbraw/zinc/33/98/98/244339898.db2.gz IEGIJKPZVGCMIW-WAHQUVNVSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C/c1ccncc1)\C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000494970889 244339903 /nfs/dbraw/zinc/33/99/03/244339903.db2.gz IEGIJKPZVGCMIW-WAHQUVNVSA-N 2 1 297.446 3.044 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)cc1C ZINC000495108146 244357676 /nfs/dbraw/zinc/35/76/76/244357676.db2.gz LFYFLARGOJOHNT-FUHWJXTLSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1C ZINC000495108146 244357681 /nfs/dbraw/zinc/35/76/81/244357681.db2.gz LFYFLARGOJOHNT-FUHWJXTLSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1C ZINC000495108146 244357684 /nfs/dbraw/zinc/35/76/84/244357684.db2.gz LFYFLARGOJOHNT-FUHWJXTLSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000276100211 193213773 /nfs/dbraw/zinc/21/37/73/193213773.db2.gz FLVYMGNYRBDJQT-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000276100211 193213775 /nfs/dbraw/zinc/21/37/75/193213775.db2.gz FLVYMGNYRBDJQT-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000049551943 369409306 /nfs/dbraw/zinc/40/93/06/369409306.db2.gz RDXWDUAXZTTYAN-NSHDSACASA-N 2 1 290.329 3.015 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)C1CCSCC1 ZINC000187570099 296146568 /nfs/dbraw/zinc/14/65/68/296146568.db2.gz URNXTLOTUAFGTE-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000062017926 369615310 /nfs/dbraw/zinc/61/53/10/369615310.db2.gz DCIIHAVSSMJJLM-LLVKDONJSA-N 2 1 254.805 3.318 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)s2)CCCCC1 ZINC000070600386 369806882 /nfs/dbraw/zinc/80/68/82/369806882.db2.gz BDKQINVLDWUOAU-UHFFFAOYSA-N 2 1 258.818 3.153 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC000072858630 369840790 /nfs/dbraw/zinc/84/07/90/369840790.db2.gz INAJCEFGJFFQMN-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000072858630 369840797 /nfs/dbraw/zinc/84/07/97/369840797.db2.gz INAJCEFGJFFQMN-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000072858630 369840801 /nfs/dbraw/zinc/84/08/01/369840801.db2.gz INAJCEFGJFFQMN-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CCSCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109924 369930324 /nfs/dbraw/zinc/93/03/24/369930324.db2.gz RETHKNOCCJMRCO-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CCSCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109924 369930336 /nfs/dbraw/zinc/93/03/36/369930336.db2.gz RETHKNOCCJMRCO-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CCSCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109924 369930342 /nfs/dbraw/zinc/93/03/42/369930342.db2.gz RETHKNOCCJMRCO-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000076446050 369938571 /nfs/dbraw/zinc/93/85/71/369938571.db2.gz NQGHMDMUKOOBAV-QGZVFWFLSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086887275 370023679 /nfs/dbraw/zinc/02/36/79/370023679.db2.gz GEGLUIAPBQYCED-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163802 370030914 /nfs/dbraw/zinc/03/09/14/370030914.db2.gz ZWCNOHOWUPHSGC-HNSVSWJLSA-N 2 1 276.424 3.206 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163802 370030919 /nfs/dbraw/zinc/03/09/19/370030919.db2.gz ZWCNOHOWUPHSGC-HNSVSWJLSA-N 2 1 276.424 3.206 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720887 370064879 /nfs/dbraw/zinc/06/48/79/370064879.db2.gz MNEUZLHAVBWEIR-ZBFHGGJFSA-N 2 1 276.424 3.048 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000092383755 370096185 /nfs/dbraw/zinc/09/61/85/370096185.db2.gz ILPUROVZBWHVAA-SFHVURJKSA-N 2 1 288.435 3.147 20 0 CGADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000104095564 370336859 /nfs/dbraw/zinc/33/68/59/370336859.db2.gz VARPDFNZZUKAGF-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000104095564 370336863 /nfs/dbraw/zinc/33/68/63/370336863.db2.gz VARPDFNZZUKAGF-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000104095564 370336867 /nfs/dbraw/zinc/33/68/67/370336867.db2.gz VARPDFNZZUKAGF-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1OC(F)F ZINC000129893691 371006206 /nfs/dbraw/zinc/00/62/06/371006206.db2.gz KELOHCAJXPWNAZ-FRRDWIJNSA-N 2 1 298.377 3.421 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1OC(F)F ZINC000129893691 371006210 /nfs/dbraw/zinc/00/62/10/371006210.db2.gz KELOHCAJXPWNAZ-FRRDWIJNSA-N 2 1 298.377 3.421 20 0 CGADMP COC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000130030641 371009736 /nfs/dbraw/zinc/00/97/36/371009736.db2.gz OFUMKIZELQKQRE-VXLLPVPCSA-N 2 1 282.472 3.044 20 0 CGADMP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130210433 371018504 /nfs/dbraw/zinc/01/85/04/371018504.db2.gz ZDUBVXLMKIJTCO-NFAWXSAZSA-N 2 1 276.449 3.342 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130315162 371024788 /nfs/dbraw/zinc/02/47/88/371024788.db2.gz KOOPWTRNBQCLQG-JKSUJKDBSA-N 2 1 272.436 3.438 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]CC3(C4CC4)CC3)CC2)cc1 ZINC000130709232 371054018 /nfs/dbraw/zinc/05/40/18/371054018.db2.gz UYCLHCNKFHWBOM-UHFFFAOYSA-N 2 1 284.447 3.431 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000337302273 376203463 /nfs/dbraw/zinc/20/34/63/376203463.db2.gz PHQOLIXSIRNVCI-CQSZACIVSA-N 2 1 261.413 3.028 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000132752735 371198754 /nfs/dbraw/zinc/19/87/54/371198754.db2.gz SLZKYZMLWFXUDH-QAPCUYQASA-N 2 1 289.467 3.199 20 0 CGADMP Fc1ccccc1C[N@@H+](CCCn1ccnc1)CC1CC1 ZINC000013991316 541852881 /nfs/dbraw/zinc/85/28/81/541852881.db2.gz GKLRGEYSQUWMKJ-UHFFFAOYSA-N 2 1 287.382 3.325 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000134409644 371334030 /nfs/dbraw/zinc/33/40/30/371334030.db2.gz FNUKAPAAFMPKKH-DOMZBBRYSA-N 2 1 274.433 3.331 20 0 CGADMP CC[N@@H+]1CCC[C@H]1CNCc1ccc(C(F)F)cc1 ZINC000150062769 371531220 /nfs/dbraw/zinc/53/12/20/371531220.db2.gz FWQDLWQLMAPWMQ-AWEZNQCLSA-N 2 1 268.351 3.198 20 0 CGADMP c1ccc(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150790210 371539317 /nfs/dbraw/zinc/53/93/17/371539317.db2.gz OJYSHHIYOONHKG-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCC2CCCC2)CC[N@H+]1C ZINC000151596394 371616642 /nfs/dbraw/zinc/61/66/42/371616642.db2.gz KZRRSWKTRCGGDO-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2OCC)C1 ZINC000151133795 371574407 /nfs/dbraw/zinc/57/44/07/371574407.db2.gz ZMMFDJNMSQUVKL-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2OCC)C1 ZINC000151133795 371574415 /nfs/dbraw/zinc/57/44/15/371574415.db2.gz ZMMFDJNMSQUVKL-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP COC1([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)CCCCC1 ZINC000421848093 371671242 /nfs/dbraw/zinc/67/12/42/371671242.db2.gz AAPWEMUCOJETBD-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H](CN[C@H]1CCc2cc(F)ccc21)[NH+]1CCCC1 ZINC000151654688 371621533 /nfs/dbraw/zinc/62/15/33/371621533.db2.gz NZEGNLMUXPHPND-RDJZCZTQSA-N 2 1 276.399 3.277 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C12CCCC2 ZINC000151972989 371659725 /nfs/dbraw/zinc/65/97/25/371659725.db2.gz FDQWVNCEDIMYMB-ZOFXXKQRSA-N 2 1 294.483 3.043 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)C1 ZINC000153146034 371752181 /nfs/dbraw/zinc/75/21/81/371752181.db2.gz JJYTXUAYMMHOQX-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP COc1ccc([C@H]([NH2+]C2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422749099 371781760 /nfs/dbraw/zinc/78/17/60/371781760.db2.gz XNZMQQWLXLOBRK-MSOLQXFVSA-N 2 1 288.435 3.411 20 0 CGADMP Cc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC000289665031 371786691 /nfs/dbraw/zinc/78/66/91/371786691.db2.gz NIUWITHZDSUBHR-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000289665031 371786694 /nfs/dbraw/zinc/78/66/94/371786694.db2.gz NIUWITHZDSUBHR-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000289665031 371786700 /nfs/dbraw/zinc/78/67/00/371786700.db2.gz NIUWITHZDSUBHR-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422772413 371797283 /nfs/dbraw/zinc/79/72/83/371797283.db2.gz YIMVZCZFVDEBDK-KBPBESRZSA-N 2 1 286.341 3.455 20 0 CGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422774627 371799176 /nfs/dbraw/zinc/79/91/76/371799176.db2.gz XUNLEWPAIUZJMJ-IEBWSBKVSA-N 2 1 296.414 3.278 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Sc1ccccc1 ZINC000422779967 371804381 /nfs/dbraw/zinc/80/43/81/371804381.db2.gz COYNDUVETYCADR-STQMWFEESA-N 2 1 287.432 3.326 20 0 CGADMP C[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc(F)cc1F ZINC000422799355 371816147 /nfs/dbraw/zinc/81/61/47/371816147.db2.gz WHSBKAMKCKTNAQ-WDEREUQCSA-N 2 1 291.345 3.227 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422897204 371859688 /nfs/dbraw/zinc/85/96/88/371859688.db2.gz BMCHJTAYDJZNNE-YVEFUNNKSA-N 2 1 290.357 3.013 20 0 CGADMP C[C@@H]([NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)C1C[NH2+]C1 ZINC000422925770 371874153 /nfs/dbraw/zinc/87/41/53/371874153.db2.gz BROMZNUGHUOHIU-SECBINFHSA-N 2 1 285.218 3.180 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000290028361 371881978 /nfs/dbraw/zinc/88/19/78/371881978.db2.gz VOYQEXBGLSFPKA-XJKSGUPXSA-N 2 1 261.413 3.164 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422847656 371839010 /nfs/dbraw/zinc/83/90/10/371839010.db2.gz IPPSEKRLNGZHMY-ZWKOTPCHSA-N 2 1 288.435 3.368 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422945711 371884689 /nfs/dbraw/zinc/88/46/89/371884689.db2.gz NTKOYIXFNAIZMA-KDOFPFPSSA-N 2 1 268.404 3.112 20 0 CGADMP COC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000422958199 371890370 /nfs/dbraw/zinc/89/03/70/371890370.db2.gz XARUYDOICAPMJM-SZMVWBNQSA-N 2 1 290.451 3.275 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000422985391 371903864 /nfs/dbraw/zinc/90/38/64/371903864.db2.gz DNPDHBYBALKGAF-RQJHMYQMSA-N 2 1 267.225 3.270 20 0 CGADMP CCCC[N@@H+](CCCc1cnccc1C)CCOC ZINC000290142475 371914257 /nfs/dbraw/zinc/91/42/57/371914257.db2.gz VVRAJRUFAGHULH-UHFFFAOYSA-N 2 1 264.413 3.071 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000423019507 371918869 /nfs/dbraw/zinc/91/88/69/371918869.db2.gz WARYUQPPKAJSQW-ARFHVFGLSA-N 2 1 293.842 3.135 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCNc2cccc(F)c2)c2ccccc21 ZINC000423031955 371924998 /nfs/dbraw/zinc/92/49/98/371924998.db2.gz LUUQJSNVQMOMNK-ROUUACIJSA-N 2 1 299.393 3.362 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423094777 371961480 /nfs/dbraw/zinc/96/14/80/371961480.db2.gz KTOPIUDPPCTIOV-PYTWLRIVSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423094517 371961573 /nfs/dbraw/zinc/96/15/73/371961573.db2.gz KGXRBRXTLNGRIN-CUBALJKWSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423099336 371963141 /nfs/dbraw/zinc/96/31/41/371963141.db2.gz TWGXUDITRYYWIW-AYMQEEERSA-N 2 1 276.399 3.192 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423171800 372002034 /nfs/dbraw/zinc/00/20/34/372002034.db2.gz QAVXHDDQVQMHCR-HZPDHXFCSA-N 2 1 275.440 3.129 20 0 CGADMP C[C@H](CCC[NH3+])[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423114954 371975372 /nfs/dbraw/zinc/97/53/72/371975372.db2.gz WMSWKJSOHNQGFB-SNVBAGLBSA-N 2 1 276.758 3.149 20 0 CGADMP COCCCC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423090639 371956551 /nfs/dbraw/zinc/95/65/51/371956551.db2.gz XYJUFRJNLCLWLQ-KBAYOESNSA-N 2 1 290.451 3.275 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000344186696 217090049 /nfs/dbraw/zinc/09/00/49/217090049.db2.gz MUTXLECAPSTJKX-GJZGRUSLSA-N 2 1 294.414 3.187 20 0 CGADMP [NH3+]CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423192275 372017343 /nfs/dbraw/zinc/01/73/43/372017343.db2.gz UIJOPKUJUWFVBI-MRXNPFEDSA-N 2 1 274.795 3.172 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000158265596 372062318 /nfs/dbraw/zinc/06/23/18/372062318.db2.gz LRNPVKLQOUKFDH-CABCVRRESA-N 2 1 278.415 3.435 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C(C1CC1)C1CC1 ZINC000157859102 372039887 /nfs/dbraw/zinc/03/98/87/372039887.db2.gz HRXVUTSFXIOTDA-CQSZACIVSA-N 2 1 264.457 3.419 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)[C@H](C)C1 ZINC000158057707 372049985 /nfs/dbraw/zinc/04/99/85/372049985.db2.gz MLQFBNMCHXUEGA-SQNIBIBYSA-N 2 1 294.483 3.069 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC000423331640 372052791 /nfs/dbraw/zinc/05/27/91/372052791.db2.gz USIDLFWXQVDXPM-KBPBESRZSA-N 2 1 285.218 3.308 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccccc21 ZINC000423339156 372053117 /nfs/dbraw/zinc/05/31/17/372053117.db2.gz ZGSDDXYDYGRHJO-BBWFWOEESA-N 2 1 258.409 3.198 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158132986 372055562 /nfs/dbraw/zinc/05/55/62/372055562.db2.gz HZRHZMDVBMOADX-DOTOQJQBSA-N 2 1 288.435 3.140 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423180385 372008868 /nfs/dbraw/zinc/00/88/68/372008868.db2.gz NKAJUSPXXAORGZ-NSHDSACASA-N 2 1 268.426 3.069 20 0 CGADMP CCCCCOc1ccc([C@H]([NH2+]CC[NH3+])C2CC2)cc1 ZINC000423180125 372009337 /nfs/dbraw/zinc/00/93/37/372009337.db2.gz IDZRWHQLMDJEAV-QGZVFWFLSA-N 2 1 276.424 3.255 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1F ZINC000423534398 372072447 /nfs/dbraw/zinc/07/24/47/372072447.db2.gz VUWSLCJJOYOEQH-IAQYHMDHSA-N 2 1 280.387 3.002 20 0 CGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000159046465 372101964 /nfs/dbraw/zinc/10/19/64/372101964.db2.gz OIHWLXHUBXWFDL-AWEZNQCLSA-N 2 1 296.480 3.208 20 0 CGADMP C[N@@H+](CCSc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747164 541869529 /nfs/dbraw/zinc/86/95/29/541869529.db2.gz RUBCNAJUCUBBBM-YIONKMFJSA-N 2 1 294.439 3.133 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCc3cccc(F)c3)C2)C1 ZINC000293067051 372290622 /nfs/dbraw/zinc/29/06/22/372290622.db2.gz VCLFSHHCXCDCFN-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCc3cccc(F)c3)C2)C1 ZINC000293067051 372290629 /nfs/dbraw/zinc/29/06/29/372290629.db2.gz VCLFSHHCXCDCFN-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCc3cccc(F)c3)C2)C1 ZINC000293067051 372290633 /nfs/dbraw/zinc/29/06/33/372290633.db2.gz VCLFSHHCXCDCFN-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1ccccc1C ZINC000292971692 372265429 /nfs/dbraw/zinc/26/54/29/372265429.db2.gz MHJLKDSXDXISNJ-UHFFFAOYSA-N 2 1 271.408 3.415 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000344312679 217145305 /nfs/dbraw/zinc/14/53/05/217145305.db2.gz XJBWELDKHSIDFU-CYBMUJFWSA-N 2 1 270.376 3.345 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCSC2)c1 ZINC000161713268 372347781 /nfs/dbraw/zinc/34/77/81/372347781.db2.gz MYVBHTZDAAWLNW-INIZCTEOSA-N 2 1 278.465 3.122 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(s1)CCC2 ZINC000344339203 217156443 /nfs/dbraw/zinc/15/64/43/217156443.db2.gz WFIWQPNFRSTKHC-LBPRGKRZSA-N 2 1 276.449 3.149 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000162099504 372372936 /nfs/dbraw/zinc/37/29/36/372372936.db2.gz NTYMIZUZDLEYQN-INMHGKMJSA-N 2 1 260.425 3.171 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000429554377 372373224 /nfs/dbraw/zinc/37/32/24/372373224.db2.gz JEVLBPZRVNJUDV-APWZRJJASA-N 2 1 286.463 3.208 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430958531 372410234 /nfs/dbraw/zinc/41/02/34/372410234.db2.gz YFTONIIGPXKYDL-BEFAXECRSA-N 2 1 282.431 3.442 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCS2 ZINC000293364281 372366488 /nfs/dbraw/zinc/36/64/88/372366488.db2.gz HOVJTPVIAFHXDF-IUODEOHRSA-N 2 1 294.464 3.019 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)C[NH+](C)C ZINC000293765499 372474988 /nfs/dbraw/zinc/47/49/88/372474988.db2.gz SINMFWQMZJHRQS-ZJUUUORDSA-N 2 1 260.834 3.250 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224934 372454805 /nfs/dbraw/zinc/45/48/05/372454805.db2.gz GUTMZMCBGMCUIY-CRAIPNDOSA-N 2 1 290.451 3.468 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)C1 ZINC000163313995 372461894 /nfs/dbraw/zinc/46/18/94/372461894.db2.gz HBRNEAUDQBPLSU-GJZGRUSLSA-N 2 1 278.415 3.435 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000293750077 372468305 /nfs/dbraw/zinc/46/83/05/372468305.db2.gz QEJXWOIBJDHQHF-UWIFEVILSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC(C)(C)C2)CCCO1 ZINC000432345709 372561739 /nfs/dbraw/zinc/56/17/39/372561739.db2.gz ISGLHQVAOKYRDV-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC(C)(C)C2)CCCO1 ZINC000432345709 372561745 /nfs/dbraw/zinc/56/17/45/372561745.db2.gz ISGLHQVAOKYRDV-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000166062607 372564213 /nfs/dbraw/zinc/56/42/13/372564213.db2.gz QMALFXQGOPRZSG-HLLBOEOZSA-N 2 1 290.451 3.261 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166171588 372566445 /nfs/dbraw/zinc/56/64/45/372566445.db2.gz YTPUBQAASJMVKE-LBPRGKRZSA-N 2 1 266.454 3.087 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166171588 372566452 /nfs/dbraw/zinc/56/64/52/372566452.db2.gz YTPUBQAASJMVKE-LBPRGKRZSA-N 2 1 266.454 3.087 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000166558154 372576571 /nfs/dbraw/zinc/57/65/71/372576571.db2.gz TYYFBNJVELJPPZ-CJNGLKHVSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000169010985 372625074 /nfs/dbraw/zinc/62/50/74/372625074.db2.gz FDODKACUSRZPGF-KLHDSHLOSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000169010985 372625079 /nfs/dbraw/zinc/62/50/79/372625079.db2.gz FDODKACUSRZPGF-KLHDSHLOSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435388308 372756725 /nfs/dbraw/zinc/75/67/25/372756725.db2.gz DYRDRZUYDSJMRA-LJQANCHMSA-N 2 1 295.430 3.226 20 0 CGADMP c1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435388308 372756729 /nfs/dbraw/zinc/75/67/29/372756729.db2.gz DYRDRZUYDSJMRA-LJQANCHMSA-N 2 1 295.430 3.226 20 0 CGADMP CC[N@@H+](CCOc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435630159 372786563 /nfs/dbraw/zinc/78/65/63/372786563.db2.gz VWYMYHVYGAOENJ-AWEZNQCLSA-N 2 1 296.842 3.183 20 0 CGADMP CC[N@@H+](CCC[NH2+]C)[C@H](C)c1cc2ccccc2o1 ZINC000435882117 372824005 /nfs/dbraw/zinc/82/40/05/372824005.db2.gz SAXPYBZWOAGNIH-CYBMUJFWSA-N 2 1 260.381 3.425 20 0 CGADMP C[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000172534295 372984318 /nfs/dbraw/zinc/98/43/18/372984318.db2.gz MEGLGKZGMDBQFV-HNNXBMFYSA-N 2 1 260.425 3.064 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000442776736 373077945 /nfs/dbraw/zinc/07/79/45/373077945.db2.gz HULWSYFGLIEBBI-STQMWFEESA-N 2 1 266.454 3.399 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1cccc2ccccc21 ZINC000442780560 373078355 /nfs/dbraw/zinc/07/83/55/373078355.db2.gz NZRLJYCHADGVRR-JKSUJKDBSA-N 2 1 282.431 3.442 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)cn1 ZINC000344829175 217325391 /nfs/dbraw/zinc/32/53/91/217325391.db2.gz NBFDEKPKVVXMHX-AEFFLSMTSA-N 2 1 289.467 3.380 20 0 CGADMP C(C1CCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000173644283 373170501 /nfs/dbraw/zinc/17/05/01/373170501.db2.gz LRDVAUVYXPIPHW-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000353565301 220160593 /nfs/dbraw/zinc/16/05/93/220160593.db2.gz BDULEEITWMNHHU-RYRKJORJSA-N 2 1 289.467 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000353565301 220160596 /nfs/dbraw/zinc/16/05/96/220160596.db2.gz BDULEEITWMNHHU-RYRKJORJSA-N 2 1 289.467 3.426 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919006 373216352 /nfs/dbraw/zinc/21/63/52/373216352.db2.gz BPGYMCLWCKIAMF-WMZOPIPTSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919006 373216362 /nfs/dbraw/zinc/21/63/62/373216362.db2.gz BPGYMCLWCKIAMF-WMZOPIPTSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919006 373216372 /nfs/dbraw/zinc/21/63/72/373216372.db2.gz BPGYMCLWCKIAMF-WMZOPIPTSA-N 2 1 274.452 3.281 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000174350428 373297079 /nfs/dbraw/zinc/29/70/79/373297079.db2.gz QIASINFRVQBZPT-CYBMUJFWSA-N 2 1 263.429 3.386 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000298513234 373344506 /nfs/dbraw/zinc/34/45/06/373344506.db2.gz RALFHIJIJPWVHO-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CCc1cccc(Cl)c1 ZINC000298517610 373346568 /nfs/dbraw/zinc/34/65/68/373346568.db2.gz RGGSIPHNKGWMKT-UHFFFAOYSA-N 2 1 277.799 3.067 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000448554102 373588596 /nfs/dbraw/zinc/58/85/96/373588596.db2.gz IEXQQZZDVUIQOO-OAHLLOKOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000448554102 373588600 /nfs/dbraw/zinc/58/86/00/373588600.db2.gz IEXQQZZDVUIQOO-OAHLLOKOSA-N 2 1 263.429 3.340 20 0 CGADMP COCC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449063257 373657979 /nfs/dbraw/zinc/65/79/79/373657979.db2.gz OHPFPONAKPNIEI-GTPINHCMSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2c(C)cccc2C)[C@H](C)C1 ZINC000177887692 373720883 /nfs/dbraw/zinc/72/08/83/373720883.db2.gz SCXJAPWCJANXDD-SJORKVTESA-N 2 1 290.451 3.002 20 0 CGADMP c1cc2[nH+]ccc(N3CCN(c4cc[nH+]cc4)CC3)c2s1 ZINC000301380585 373766374 /nfs/dbraw/zinc/76/63/74/373766374.db2.gz YUFUJNJGOLBOOM-UHFFFAOYSA-N 2 1 296.399 3.018 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)s1 ZINC000178981718 373825650 /nfs/dbraw/zinc/82/56/50/373825650.db2.gz PEHJWNACVBYTTF-GFCCVEGCSA-N 2 1 281.469 3.006 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC000178441422 373778329 /nfs/dbraw/zinc/77/83/29/373778329.db2.gz JMKUJIKXWWBAOV-DOTOQJQBSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000178441422 373778335 /nfs/dbraw/zinc/77/83/35/373778335.db2.gz JMKUJIKXWWBAOV-DOTOQJQBSA-N 2 1 258.409 3.090 20 0 CGADMP Cc1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000302279933 373848145 /nfs/dbraw/zinc/84/81/45/373848145.db2.gz IWCDDVMTPAKNTL-CYBMUJFWSA-N 2 1 287.432 3.310 20 0 CGADMP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450430457 374122907 /nfs/dbraw/zinc/12/29/07/374122907.db2.gz RVFFAKAKXINQGK-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2=CCCCC2)CCN1C ZINC000450465729 374148599 /nfs/dbraw/zinc/14/85/99/374148599.db2.gz GLJXVDGLIDKEBU-GDBMZVCRSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCC2=CCCCC2)CC[N@@H+]1C ZINC000450465729 374148605 /nfs/dbraw/zinc/14/86/05/374148605.db2.gz GLJXVDGLIDKEBU-GDBMZVCRSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCC2=CCCCC2)CC[N@H+]1C ZINC000450465729 374148609 /nfs/dbraw/zinc/14/86/09/374148609.db2.gz GLJXVDGLIDKEBU-GDBMZVCRSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC000450465729 374148615 /nfs/dbraw/zinc/14/86/15/374148615.db2.gz GLJXVDGLIDKEBU-GDBMZVCRSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC000450465729 374148622 /nfs/dbraw/zinc/14/86/22/374148622.db2.gz GLJXVDGLIDKEBU-GDBMZVCRSA-N 2 1 250.430 3.291 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000181745704 374165032 /nfs/dbraw/zinc/16/50/32/374165032.db2.gz PJNRJOXJIRJAKD-KBMXLJTQSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000181745725 374165409 /nfs/dbraw/zinc/16/54/09/374165409.db2.gz PJNRJOXJIRJAKD-FVQBIDKESA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCCC1CCOCC1 ZINC000308630077 374172957 /nfs/dbraw/zinc/17/29/57/374172957.db2.gz DXPWOSLRQAORGK-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182032860 374207475 /nfs/dbraw/zinc/20/74/75/374207475.db2.gz LWEZGHLDOACVOW-FUHWJXTLSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182032860 374207482 /nfs/dbraw/zinc/20/74/82/374207482.db2.gz LWEZGHLDOACVOW-FUHWJXTLSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182032860 374207489 /nfs/dbraw/zinc/20/74/89/374207489.db2.gz LWEZGHLDOACVOW-FUHWJXTLSA-N 2 1 274.452 3.139 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000452064170 374222586 /nfs/dbraw/zinc/22/25/86/374222586.db2.gz ZEXPWMNUTSZZOB-OFQRWUPVSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000311135987 374233307 /nfs/dbraw/zinc/23/33/07/374233307.db2.gz FAADBQCLLCSKCV-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CC[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC000452097354 374233859 /nfs/dbraw/zinc/23/38/59/374233859.db2.gz QGESJSLAHLQVTJ-UHFFFAOYSA-N 2 1 260.425 3.002 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000315543310 374330326 /nfs/dbraw/zinc/33/03/26/374330326.db2.gz HTOMWKQABGLRCA-CQSZACIVSA-N 2 1 297.324 3.475 20 0 CGADMP COC1(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)CCCCC1 ZINC000319703294 374347688 /nfs/dbraw/zinc/34/76/88/374347688.db2.gz SEDLDVVBFUQXAY-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000453330407 374424434 /nfs/dbraw/zinc/42/44/34/374424434.db2.gz YTWVBYAKGLXGDJ-RBSFLKMASA-N 2 1 264.438 3.019 20 0 CGADMP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000334244783 206248601 /nfs/dbraw/zinc/24/86/01/206248601.db2.gz SBDDRVZWEXESPB-GFCCVEGCSA-N 2 1 289.810 3.276 20 0 CGADMP CCC1(C)CCC([NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000334403181 374719739 /nfs/dbraw/zinc/71/97/39/374719739.db2.gz GJMDVMGFLVGCCE-UYJPIKCFSA-N 2 1 261.413 3.216 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000186225708 374818664 /nfs/dbraw/zinc/81/86/64/374818664.db2.gz PXBAZMXPNPMUNZ-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000186225708 374818670 /nfs/dbraw/zinc/81/86/70/374818670.db2.gz PXBAZMXPNPMUNZ-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459796819 374820387 /nfs/dbraw/zinc/82/03/87/374820387.db2.gz WJBUZIAUUFKRRU-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186291181 374828153 /nfs/dbraw/zinc/82/81/53/374828153.db2.gz KKLXOHSGNWGBRF-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP c1ccc2c(c1)NCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000186404892 374845185 /nfs/dbraw/zinc/84/51/85/374845185.db2.gz KZHGCAOPZJHMJG-GOSISDBHSA-N 2 1 285.435 3.150 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000334646427 374939144 /nfs/dbraw/zinc/93/91/44/374939144.db2.gz IQLXDYJWGUQTNI-LBPRGKRZSA-N 2 1 275.783 3.019 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000472662831 375029840 /nfs/dbraw/zinc/02/98/40/375029840.db2.gz ZLENJKVFILADDW-SJLPKXTDSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000472662831 375029844 /nfs/dbraw/zinc/02/98/44/375029844.db2.gz ZLENJKVFILADDW-SJLPKXTDSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000472662831 375029849 /nfs/dbraw/zinc/02/98/49/375029849.db2.gz ZLENJKVFILADDW-SJLPKXTDSA-N 2 1 290.426 3.489 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC(F)(F)CC3)CC[C@H]21 ZINC000334785841 375031847 /nfs/dbraw/zinc/03/18/47/375031847.db2.gz DAKJMKKYADVFRO-LSDHHAIUSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCC(F)(F)CC3)CC[C@H]21 ZINC000334785841 375031853 /nfs/dbraw/zinc/03/18/53/375031853.db2.gz DAKJMKKYADVFRO-LSDHHAIUSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@H]21 ZINC000334785841 375031859 /nfs/dbraw/zinc/03/18/59/375031859.db2.gz DAKJMKKYADVFRO-LSDHHAIUSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187708773 375079227 /nfs/dbraw/zinc/07/92/27/375079227.db2.gz SXBOMWVXKNXNST-QZTJIDSGSA-N 2 1 272.436 3.181 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000482558447 375171012 /nfs/dbraw/zinc/17/10/12/375171012.db2.gz SXINJCKCTUDALT-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000482558447 375171021 /nfs/dbraw/zinc/17/10/21/375171021.db2.gz SXINJCKCTUDALT-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CC2)CC1 ZINC000488428452 375309158 /nfs/dbraw/zinc/30/91/58/375309158.db2.gz BBJCHALZTIOKMR-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CC2)CC1 ZINC000488428452 375309164 /nfs/dbraw/zinc/30/91/64/375309164.db2.gz BBJCHALZTIOKMR-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000335843538 375477673 /nfs/dbraw/zinc/47/76/73/375477673.db2.gz HRBYTCIWSMZSGS-SWLSCSKDSA-N 2 1 298.434 3.203 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000335843538 375477681 /nfs/dbraw/zinc/47/76/81/375477681.db2.gz HRBYTCIWSMZSGS-SWLSCSKDSA-N 2 1 298.434 3.203 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@@H]1C ZINC000494886122 375494052 /nfs/dbraw/zinc/49/40/52/375494052.db2.gz MIYHBHZEUPAJTP-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336119364 375700871 /nfs/dbraw/zinc/70/08/71/375700871.db2.gz IHJMJGMQXICKSE-CZUORRHYSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336119364 375700873 /nfs/dbraw/zinc/70/08/73/375700873.db2.gz IHJMJGMQXICKSE-CZUORRHYSA-N 2 1 264.388 3.303 20 0 CGADMP CC[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000508564800 375750855 /nfs/dbraw/zinc/75/08/55/375750855.db2.gz AVHHITZPQAGRJU-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000508564800 375750863 /nfs/dbraw/zinc/75/08/63/375750863.db2.gz AVHHITZPQAGRJU-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000508564800 375750865 /nfs/dbraw/zinc/75/08/65/375750865.db2.gz AVHHITZPQAGRJU-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CCC(CC)(CC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000126361314 542039832 /nfs/dbraw/zinc/03/98/32/542039832.db2.gz IUUWQSBXTLAETM-QGZVFWFLSA-N 2 1 292.467 3.038 20 0 CGADMP CCC(CC)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000126361314 542039838 /nfs/dbraw/zinc/03/98/38/542039838.db2.gz IUUWQSBXTLAETM-QGZVFWFLSA-N 2 1 292.467 3.038 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000128072573 542050059 /nfs/dbraw/zinc/05/00/59/542050059.db2.gz DABKSGYJRRZPIH-OAHLLOKOSA-N 2 1 272.436 3.429 20 0 CGADMP FC1(F)CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336252941 375764765 /nfs/dbraw/zinc/76/47/65/375764765.db2.gz DEPDNIOEKBWBQZ-ZIAGYGMSSA-N 2 1 272.383 3.028 20 0 CGADMP Cc1c[nH+]ccc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192637544 375774594 /nfs/dbraw/zinc/77/45/94/375774594.db2.gz PVRWNKAQDOVBQR-GOSISDBHSA-N 2 1 295.430 3.348 20 0 CGADMP CC[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000513745901 375802030 /nfs/dbraw/zinc/80/20/30/375802030.db2.gz JROISSZBOJMINI-KRWDZBQOSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000192928077 375804904 /nfs/dbraw/zinc/80/49/04/375804904.db2.gz JDNICMWGVAXBIM-WBVHZDCISA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192930322 375805226 /nfs/dbraw/zinc/80/52/26/375805226.db2.gz PVNHWIKZTFRGHP-NVXWUHKLSA-N 2 1 260.425 3.143 20 0 CGADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192930309 375805620 /nfs/dbraw/zinc/80/56/20/375805620.db2.gz PVNHWIKZTFRGHP-RDJZCZTQSA-N 2 1 260.425 3.143 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654624 375895316 /nfs/dbraw/zinc/89/53/16/375895316.db2.gz CTGZYGATCNJENT-ATLSCFEFSA-N 2 1 272.436 3.285 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)[C@H](C)C1 ZINC000536857878 376136500 /nfs/dbraw/zinc/13/65/00/376136500.db2.gz MIVHFENRJHUXIJ-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211951355 376136805 /nfs/dbraw/zinc/13/68/05/376136805.db2.gz CNBGJBHMGCRXJP-RDTXWAMCSA-N 2 1 272.436 3.343 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCSc1ccc(F)cc1 ZINC000337282695 376188736 /nfs/dbraw/zinc/18/87/36/376188736.db2.gz XQJCJNGLYOPALT-UHFFFAOYSA-N 2 1 296.455 3.336 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCSc1ccc(F)cc1 ZINC000337282695 376188741 /nfs/dbraw/zinc/18/87/41/376188741.db2.gz XQJCJNGLYOPALT-UHFFFAOYSA-N 2 1 296.455 3.336 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000536693853 376122769 /nfs/dbraw/zinc/12/27/69/376122769.db2.gz YQQGQDAGXGEQNE-LEOABGAYSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000536693853 376122776 /nfs/dbraw/zinc/12/27/76/376122776.db2.gz YQQGQDAGXGEQNE-LEOABGAYSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000337389735 376217032 /nfs/dbraw/zinc/21/70/32/376217032.db2.gz MYAZMJVAKMIINI-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000337389735 376217039 /nfs/dbraw/zinc/21/70/39/376217039.db2.gz MYAZMJVAKMIINI-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP COc1ccccc1[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000221915207 376223959 /nfs/dbraw/zinc/22/39/59/376223959.db2.gz YJXNTBOGKHGYJH-CQSZACIVSA-N 2 1 264.413 3.076 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221915207 376223962 /nfs/dbraw/zinc/22/39/62/376223962.db2.gz YJXNTBOGKHGYJH-CQSZACIVSA-N 2 1 264.413 3.076 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221915207 376223964 /nfs/dbraw/zinc/22/39/64/376223964.db2.gz YJXNTBOGKHGYJH-CQSZACIVSA-N 2 1 264.413 3.076 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000221921764 376224458 /nfs/dbraw/zinc/22/44/58/376224458.db2.gz CZRRAJNOMXYMQH-OAHLLOKOSA-N 2 1 278.440 3.385 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221921764 376224479 /nfs/dbraw/zinc/22/44/79/376224479.db2.gz CZRRAJNOMXYMQH-OAHLLOKOSA-N 2 1 278.440 3.385 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221921764 376224483 /nfs/dbraw/zinc/22/44/83/376224483.db2.gz CZRRAJNOMXYMQH-OAHLLOKOSA-N 2 1 278.440 3.385 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221925261 376226117 /nfs/dbraw/zinc/22/61/17/376226117.db2.gz SNDPECRLKJZKAG-OAHLLOKOSA-N 2 1 278.440 3.466 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221925261 376226120 /nfs/dbraw/zinc/22/61/20/376226120.db2.gz SNDPECRLKJZKAG-OAHLLOKOSA-N 2 1 278.440 3.466 20 0 CGADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337986864 376250130 /nfs/dbraw/zinc/25/01/30/376250130.db2.gz CDDRZPBQCDUICA-BBRMVZONSA-N 2 1 268.420 3.121 20 0 CGADMP CCC[C@H](C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000539384805 376306896 /nfs/dbraw/zinc/30/68/96/376306896.db2.gz VJDUTIXPZUZXCN-XHSDSOJGSA-N 2 1 252.446 3.370 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000338282108 376312931 /nfs/dbraw/zinc/31/29/31/376312931.db2.gz NTPWRXTYCOXDKZ-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000338282108 376312935 /nfs/dbraw/zinc/31/29/35/376312935.db2.gz NTPWRXTYCOXDKZ-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327094 376351894 /nfs/dbraw/zinc/35/18/94/376351894.db2.gz VLNLQEMYRZRQPO-BBRMVZONSA-N 2 1 264.388 3.338 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000226325560 376352482 /nfs/dbraw/zinc/35/24/82/376352482.db2.gz SSWDRLJEQOZHKD-HOTGVXAUSA-N 2 1 260.425 3.241 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000226331853 376353179 /nfs/dbraw/zinc/35/31/79/376353179.db2.gz UORCRGKXFCZTGA-KRWDZBQOSA-N 2 1 276.424 3.090 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000226331853 376353182 /nfs/dbraw/zinc/35/31/82/376353182.db2.gz UORCRGKXFCZTGA-KRWDZBQOSA-N 2 1 276.424 3.090 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C)C1CC1 ZINC000539050237 376287841 /nfs/dbraw/zinc/28/78/41/376287841.db2.gz HRLJGSRYGJBZAD-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CC(C)C)C1CC1 ZINC000539050237 376287849 /nfs/dbraw/zinc/28/78/49/376287849.db2.gz HRLJGSRYGJBZAD-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP CO[C@@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000338545828 376419690 /nfs/dbraw/zinc/41/96/90/376419690.db2.gz HYVDWRHDAYABQZ-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000338545828 376419695 /nfs/dbraw/zinc/41/96/95/376419695.db2.gz HYVDWRHDAYABQZ-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000338545828 376419700 /nfs/dbraw/zinc/41/97/00/376419700.db2.gz HYVDWRHDAYABQZ-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000338545828 376419706 /nfs/dbraw/zinc/41/97/06/376419706.db2.gz HYVDWRHDAYABQZ-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C(C)(C)C ZINC000338383919 376358526 /nfs/dbraw/zinc/35/85/26/376358526.db2.gz ZEZCNUCYWBCUKY-HNNXBMFYSA-N 2 1 281.444 3.013 20 0 CGADMP CCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000226784040 376372907 /nfs/dbraw/zinc/37/29/07/376372907.db2.gz XFFVQIJMMZNXFM-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)CC1CC[NH+](C)CC1 ZINC000541773221 376480908 /nfs/dbraw/zinc/48/09/08/376480908.db2.gz SXODPZBHWUWLAT-ONEGZZNKSA-N 2 1 294.389 3.252 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000541536097 376454589 /nfs/dbraw/zinc/45/45/89/376454589.db2.gz YAJHHHDRQUZRAX-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000541536097 376454593 /nfs/dbraw/zinc/45/45/93/376454593.db2.gz YAJHHHDRQUZRAX-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000541536097 376454597 /nfs/dbraw/zinc/45/45/97/376454597.db2.gz YAJHHHDRQUZRAX-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCCCCC2)C1 ZINC000541552945 376457581 /nfs/dbraw/zinc/45/75/81/376457581.db2.gz XQXAQOKIKJFTQG-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000229803274 376472584 /nfs/dbraw/zinc/47/25/84/376472584.db2.gz AKKKFVGGINFONE-UHFFFAOYSA-N 2 1 272.795 3.299 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000229803274 376472595 /nfs/dbraw/zinc/47/25/95/376472595.db2.gz AKKKFVGGINFONE-UHFFFAOYSA-N 2 1 272.795 3.299 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000542144164 376510854 /nfs/dbraw/zinc/51/08/54/376510854.db2.gz YQJPCKIHXLSNBZ-CVEARBPZSA-N 2 1 252.446 3.443 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4(C5CC5)CC4)[C@H]3C2)cc1 ZINC000541882384 376490472 /nfs/dbraw/zinc/49/04/72/376490472.db2.gz JGZBCPKWBZPMOX-YTQUADARSA-N 2 1 296.458 3.429 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)c(C)s1 ZINC000230195305 376495636 /nfs/dbraw/zinc/49/56/36/376495636.db2.gz BYWOLRBMTXFYMA-UHFFFAOYSA-N 2 1 254.443 3.185 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+](C)C(C)C)c(C)s1 ZINC000230195305 376495646 /nfs/dbraw/zinc/49/56/46/376495646.db2.gz BYWOLRBMTXFYMA-UHFFFAOYSA-N 2 1 254.443 3.185 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000230991853 376549002 /nfs/dbraw/zinc/54/90/02/376549002.db2.gz XMPPGKAJJQOHJT-XHSDSOJGSA-N 2 1 264.457 3.275 20 0 CGADMP CCS[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000233841539 376601945 /nfs/dbraw/zinc/60/19/45/376601945.db2.gz AMXWYQGQWHPYHD-RRFJBIMHSA-N 2 1 270.486 3.125 20 0 CGADMP CC[N@H+]1CC[C@@H](CN[C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670830 376568068 /nfs/dbraw/zinc/56/80/68/376568068.db2.gz NTDCAIDNNCQKSZ-YOEHRIQHSA-N 2 1 276.424 3.361 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670830 376568073 /nfs/dbraw/zinc/56/80/73/376568073.db2.gz NTDCAIDNNCQKSZ-YOEHRIQHSA-N 2 1 276.424 3.361 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000542840153 376586165 /nfs/dbraw/zinc/58/61/65/376586165.db2.gz ANZHQEGKWORSNY-GJZGRUSLSA-N 2 1 252.446 3.086 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)[C@@H](C)C1 ZINC000543428798 376639783 /nfs/dbraw/zinc/63/97/83/376639783.db2.gz DSEFXRKCBDJLKP-IHRRRGAJSA-N 2 1 272.502 3.084 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000236610170 376672246 /nfs/dbraw/zinc/67/22/46/376672246.db2.gz XLFMWJRMWAEADT-OAHLLOKOSA-N 2 1 285.435 3.378 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000339455013 376759935 /nfs/dbraw/zinc/75/99/35/376759935.db2.gz MAWIYLHVRMKVFB-HKUYNNGSSA-N 2 1 295.430 3.431 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC000245743487 376897952 /nfs/dbraw/zinc/89/79/52/376897952.db2.gz MGJJMJBZMQNJTD-YOEHRIQHSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC000245743487 376897962 /nfs/dbraw/zinc/89/79/62/376897962.db2.gz MGJJMJBZMQNJTD-YOEHRIQHSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC000245743487 376897971 /nfs/dbraw/zinc/89/79/71/376897971.db2.gz MGJJMJBZMQNJTD-YOEHRIQHSA-N 2 1 278.415 3.296 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000245557690 376852742 /nfs/dbraw/zinc/85/27/42/376852742.db2.gz AXRHXXIXAKLMPB-LSDHHAIUSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000245557690 376852748 /nfs/dbraw/zinc/85/27/48/376852748.db2.gz AXRHXXIXAKLMPB-LSDHHAIUSA-N 2 1 263.429 3.340 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245687321 376879365 /nfs/dbraw/zinc/87/93/65/376879365.db2.gz JUIFPRYSIJGJGN-FXXCCUJSSA-N 2 1 270.420 3.180 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245692506 376881727 /nfs/dbraw/zinc/88/17/27/376881727.db2.gz BTEBWCKARRCSRR-XJKSGUPXSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245692506 376881738 /nfs/dbraw/zinc/88/17/38/376881738.db2.gz BTEBWCKARRCSRR-XJKSGUPXSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245692506 376881742 /nfs/dbraw/zinc/88/17/42/376881742.db2.gz BTEBWCKARRCSRR-XJKSGUPXSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245692506 376881751 /nfs/dbraw/zinc/88/17/51/376881751.db2.gz BTEBWCKARRCSRR-XJKSGUPXSA-N 2 1 264.388 3.049 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245917923 376934104 /nfs/dbraw/zinc/93/41/04/376934104.db2.gz FVOURYPDFUAHAK-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340175696 376936046 /nfs/dbraw/zinc/93/60/46/376936046.db2.gz GLRCPBKNVXBIBN-HNNXBMFYSA-N 2 1 290.451 3.183 20 0 CGADMP C[NH+](C)C1(C[NH2+]CC2Cc3ccccc3C2)CCCCC1 ZINC000558568972 377020657 /nfs/dbraw/zinc/02/06/57/377020657.db2.gz DPCJOLUEQCYQKP-UHFFFAOYSA-N 2 1 286.463 3.256 20 0 CGADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000340374007 377024954 /nfs/dbraw/zinc/02/49/54/377024954.db2.gz WRDHIWMSNYYJAS-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000340374007 377024960 /nfs/dbraw/zinc/02/49/60/377024960.db2.gz WRDHIWMSNYYJAS-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000340374007 377024967 /nfs/dbraw/zinc/02/49/67/377024967.db2.gz WRDHIWMSNYYJAS-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000558225863 376985095 /nfs/dbraw/zinc/98/50/95/376985095.db2.gz JOVUYKHIFZDJIB-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCC2)[C@@H](C)C1 ZINC000246890845 377111838 /nfs/dbraw/zinc/11/18/38/377111838.db2.gz FKHXCKFUQXLWTR-FUHWJXTLSA-N 2 1 286.463 3.428 20 0 CGADMP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246922426 377120011 /nfs/dbraw/zinc/12/00/11/377120011.db2.gz GNCQRVOBXUSXAK-SOLBZPMBSA-N 2 1 290.451 3.001 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2(C)CC2)C1 ZINC000558970366 377058653 /nfs/dbraw/zinc/05/86/53/377058653.db2.gz ASGAFDZOILBJLN-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2(C)CC2)C1 ZINC000558970366 377058661 /nfs/dbraw/zinc/05/86/61/377058661.db2.gz ASGAFDZOILBJLN-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000340468119 377077974 /nfs/dbraw/zinc/07/79/74/377077974.db2.gz QPDLKBDZUVPDSK-HNNXBMFYSA-N 2 1 292.467 3.430 20 0 CGADMP C[N@H+]1CC[C@H](NCc2c(F)cc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000340492950 377100748 /nfs/dbraw/zinc/10/07/48/377100748.db2.gz XILACDVQHZWQRQ-XFBWCDHKSA-N 2 1 298.352 3.066 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c21 ZINC000247051793 377147741 /nfs/dbraw/zinc/14/77/41/377147741.db2.gz OYDJKCODPLSXJE-IIDMSEBBSA-N 2 1 299.462 3.337 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000247081817 377155296 /nfs/dbraw/zinc/15/52/96/377155296.db2.gz ZFISUOWMKLCHHA-DDQUQZBUSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000560523805 377163067 /nfs/dbraw/zinc/16/30/67/377163067.db2.gz CKMYJKBHJQIUFB-XJKCOSOUSA-N 2 1 296.405 3.358 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000560523805 377163069 /nfs/dbraw/zinc/16/30/69/377163069.db2.gz CKMYJKBHJQIUFB-XJKCOSOUSA-N 2 1 296.405 3.358 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000247153007 377169761 /nfs/dbraw/zinc/16/97/61/377169761.db2.gz RPNQZCIZWISPEX-IGCXYCKISA-N 2 1 296.405 3.388 20 0 CGADMP CC[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000340683372 377213797 /nfs/dbraw/zinc/21/37/97/377213797.db2.gz VCMGXOIHYSHHOM-INIZCTEOSA-N 2 1 272.436 3.256 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000340686545 377217915 /nfs/dbraw/zinc/21/79/15/377217915.db2.gz WFBWOEDEENJFLT-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000340686545 377217919 /nfs/dbraw/zinc/21/79/19/377217919.db2.gz WFBWOEDEENJFLT-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1C ZINC000561395728 377225265 /nfs/dbraw/zinc/22/52/65/377225265.db2.gz LKDQUCJKGLSCNW-RDJZCZTQSA-N 2 1 290.451 3.084 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000561395728 377225283 /nfs/dbraw/zinc/22/52/83/377225283.db2.gz LKDQUCJKGLSCNW-RDJZCZTQSA-N 2 1 290.451 3.084 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000561395728 377225289 /nfs/dbraw/zinc/22/52/89/377225289.db2.gz LKDQUCJKGLSCNW-RDJZCZTQSA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247971842 377248906 /nfs/dbraw/zinc/24/89/06/377248906.db2.gz HLAPITKTVASMFV-ROUUACIJSA-N 2 1 272.436 3.381 20 0 CGADMP CC(C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247971842 377248915 /nfs/dbraw/zinc/24/89/15/377248915.db2.gz HLAPITKTVASMFV-ROUUACIJSA-N 2 1 272.436 3.381 20 0 CGADMP CC(C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247971842 377248921 /nfs/dbraw/zinc/24/89/21/377248921.db2.gz HLAPITKTVASMFV-ROUUACIJSA-N 2 1 272.436 3.381 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCC2)[C@@H](C)C1 ZINC000248011414 377257875 /nfs/dbraw/zinc/25/78/75/377257875.db2.gz LIPDEIPEYLTSKD-BQFCYCMXSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043122 377260731 /nfs/dbraw/zinc/26/07/31/377260731.db2.gz MIUAUZHKHOYABL-ROUUACIJSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043122 377260739 /nfs/dbraw/zinc/26/07/39/377260739.db2.gz MIUAUZHKHOYABL-ROUUACIJSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043122 377260748 /nfs/dbraw/zinc/26/07/48/377260748.db2.gz MIUAUZHKHOYABL-ROUUACIJSA-N 2 1 290.426 3.317 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOC2CCCCCC2)[C@@H](C)C1 ZINC000248170479 377274562 /nfs/dbraw/zinc/27/45/62/377274562.db2.gz UQEHNINKMWOMLW-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000248173688 377277586 /nfs/dbraw/zinc/27/75/86/377277586.db2.gz VFASIYSHAFSELD-HBUWYVDXSA-N 2 1 290.426 3.381 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3Cc4ccccc4C3)C2)CC1 ZINC000562206027 377284991 /nfs/dbraw/zinc/28/49/91/377284991.db2.gz VBQPKMGITJMQCD-FQEVSTJZSA-N 2 1 298.474 3.065 20 0 CGADMP CC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000248373464 377299437 /nfs/dbraw/zinc/29/94/37/377299437.db2.gz JDJGZGYEJXBGTH-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248597280 377361420 /nfs/dbraw/zinc/36/14/20/377361420.db2.gz TYLNHFDHVPGMSW-ZWKOTPCHSA-N 2 1 272.436 3.082 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248720322 377386637 /nfs/dbraw/zinc/38/66/37/377386637.db2.gz SLNBGXSIUAPEDY-GHMZBOCLSA-N 2 1 272.845 3.394 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248720322 377386643 /nfs/dbraw/zinc/38/66/43/377386643.db2.gz SLNBGXSIUAPEDY-GHMZBOCLSA-N 2 1 272.845 3.394 20 0 CGADMP CCS[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248757202 377395389 /nfs/dbraw/zinc/39/53/89/377395389.db2.gz CTEJOIATMMYQOM-IXIBIKRGSA-N 2 1 282.497 3.266 20 0 CGADMP COc1ccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000563353130 377447008 /nfs/dbraw/zinc/44/70/08/377447008.db2.gz ATUQSKJMOWNUJK-GOSISDBHSA-N 2 1 299.418 3.198 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000563353130 377447019 /nfs/dbraw/zinc/44/70/19/377447019.db2.gz ATUQSKJMOWNUJK-GOSISDBHSA-N 2 1 299.418 3.198 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248796802 377402485 /nfs/dbraw/zinc/40/24/85/377402485.db2.gz JGSGDZTWRRGXJM-WFASDCNBSA-N 2 1 282.378 3.444 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC000563152545 377409663 /nfs/dbraw/zinc/40/96/63/377409663.db2.gz NNKANQWWOAYEGC-BHYGNILZSA-N 2 1 292.854 3.332 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000248878356 377418447 /nfs/dbraw/zinc/41/84/47/377418447.db2.gz KAHVDEYULQHPJM-CGTJXYLNSA-N 2 1 290.451 3.084 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000037644400 249002449 /nfs/dbraw/zinc/00/24/49/249002449.db2.gz AMUXVXMMEHJZJV-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP CC(C)(C)CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166488697 542175790 /nfs/dbraw/zinc/17/57/90/542175790.db2.gz KMWDTIKCSDGTFH-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CCSc1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)ccn1 ZINC000249836893 377535658 /nfs/dbraw/zinc/53/56/58/377535658.db2.gz FNGJRYAWKMIYTI-ZFWWWQNUSA-N 2 1 293.480 3.014 20 0 CGADMP CCSc1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)ccn1 ZINC000249836893 377535665 /nfs/dbraw/zinc/53/56/65/377535665.db2.gz FNGJRYAWKMIYTI-ZFWWWQNUSA-N 2 1 293.480 3.014 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250641574 377564968 /nfs/dbraw/zinc/56/49/68/377564968.db2.gz YZQXFYMBVUQJGO-XIRDDKMYSA-N 2 1 288.435 3.363 20 0 CGADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000469982716 249164274 /nfs/dbraw/zinc/16/42/74/249164274.db2.gz MRPAQPXGKFLEDU-QGZVFWFLSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000250583790 377562602 /nfs/dbraw/zinc/56/26/02/377562602.db2.gz LHMISIWEXORCQM-GOEBONIOSA-N 2 1 276.424 3.033 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000472477714 249167915 /nfs/dbraw/zinc/16/79/15/249167915.db2.gz QUDKKKPVUTTXRY-SJLPKXTDSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477714 249167918 /nfs/dbraw/zinc/16/79/18/249167918.db2.gz QUDKKKPVUTTXRY-SJLPKXTDSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477714 249167921 /nfs/dbraw/zinc/16/79/21/249167921.db2.gz QUDKKKPVUTTXRY-SJLPKXTDSA-N 2 1 286.463 3.454 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000250963065 377570893 /nfs/dbraw/zinc/57/08/93/377570893.db2.gz TYYKGRVVWLLSRN-YUTCNCBUSA-N 2 1 279.453 3.037 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000250963065 377570898 /nfs/dbraw/zinc/57/08/98/377570898.db2.gz TYYKGRVVWLLSRN-YUTCNCBUSA-N 2 1 279.453 3.037 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)o1 ZINC000251072281 377572663 /nfs/dbraw/zinc/57/26/63/377572663.db2.gz JKYZBZNMRDOWFK-QEJZJMRPSA-N 2 1 262.397 3.174 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)o1 ZINC000251072281 377572669 /nfs/dbraw/zinc/57/26/69/377572669.db2.gz JKYZBZNMRDOWFK-QEJZJMRPSA-N 2 1 262.397 3.174 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccccc1F ZINC000515164782 249203872 /nfs/dbraw/zinc/20/38/72/249203872.db2.gz DGTXZFZZRYOKJU-HNNXBMFYSA-N 2 1 252.377 3.255 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000516577215 249237782 /nfs/dbraw/zinc/23/77/82/249237782.db2.gz MWHFUJZCTSBYFG-CABCVRRESA-N 2 1 299.462 3.345 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000516577215 249237784 /nfs/dbraw/zinc/23/77/84/249237784.db2.gz MWHFUJZCTSBYFG-CABCVRRESA-N 2 1 299.462 3.345 20 0 CGADMP C[C@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)C[NH+](C)C ZINC000516903049 249248486 /nfs/dbraw/zinc/24/84/86/249248486.db2.gz LDJXSGZFBZOMIM-CYBMUJFWSA-N 2 1 295.496 3.478 20 0 CGADMP c1ccc2oc([C@H]3CCC[N@H+](CC4CC[NH2+]CC4)C3)nc2c1 ZINC000178978627 542199118 /nfs/dbraw/zinc/19/91/18/542199118.db2.gz GTEDPKVDNFEPLS-HNNXBMFYSA-N 2 1 299.418 3.007 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000251501739 377584673 /nfs/dbraw/zinc/58/46/73/377584673.db2.gz GCZMPMUOJQLIAY-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000251501739 377584682 /nfs/dbraw/zinc/58/46/82/377584682.db2.gz GCZMPMUOJQLIAY-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP Cc1ccc2c(c1)[nH+]c(C)cc2OCC[C@@H]1CC[NH2+]C1 ZINC000517126550 249257809 /nfs/dbraw/zinc/25/78/09/249257809.db2.gz KQOXCFIXMLSMQA-AWEZNQCLSA-N 2 1 270.376 3.230 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000517248508 249261834 /nfs/dbraw/zinc/26/18/34/249261834.db2.gz QHRQAHMJVYZDNL-INIZCTEOSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000517248508 249261836 /nfs/dbraw/zinc/26/18/36/249261836.db2.gz QHRQAHMJVYZDNL-INIZCTEOSA-N 2 1 291.439 3.005 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000251790194 377598883 /nfs/dbraw/zinc/59/88/83/377598883.db2.gz VPGOYCNCZPLHTK-QEJZJMRPSA-N 2 1 292.398 3.112 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1nccn1C ZINC000341758511 377616328 /nfs/dbraw/zinc/61/63/28/377616328.db2.gz QFZCMCNWCVKSBV-HZPDHXFCSA-N 2 1 292.471 3.115 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672998 377650631 /nfs/dbraw/zinc/65/06/31/377650631.db2.gz GAKVQOZJSWSXDK-GJZGRUSLSA-N 2 1 270.376 3.149 20 0 CGADMP c1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672998 377650641 /nfs/dbraw/zinc/65/06/41/377650641.db2.gz GAKVQOZJSWSXDK-GJZGRUSLSA-N 2 1 270.376 3.149 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000252716225 377655286 /nfs/dbraw/zinc/65/52/86/377655286.db2.gz XYQDMUVCWYDRLA-SNPRPXQTSA-N 2 1 276.449 3.153 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000252716225 377655291 /nfs/dbraw/zinc/65/52/91/377655291.db2.gz XYQDMUVCWYDRLA-SNPRPXQTSA-N 2 1 276.449 3.153 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000252733294 377660272 /nfs/dbraw/zinc/66/02/72/377660272.db2.gz YSVOWJJZYLLVQL-YHOLWWCESA-N 2 1 272.436 3.171 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000252733294 377660278 /nfs/dbraw/zinc/66/02/78/377660278.db2.gz YSVOWJJZYLLVQL-YHOLWWCESA-N 2 1 272.436 3.171 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCc2ccc(F)cc2Cl)CC1 ZINC000574247029 377638524 /nfs/dbraw/zinc/63/85/24/377638524.db2.gz VLLMXXNYAZXJTJ-HNNXBMFYSA-N 2 1 298.833 3.438 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2ccc(F)cc2Cl)CC1 ZINC000574247029 377638531 /nfs/dbraw/zinc/63/85/31/377638531.db2.gz VLLMXXNYAZXJTJ-HNNXBMFYSA-N 2 1 298.833 3.438 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000574757197 377703927 /nfs/dbraw/zinc/70/39/27/377703927.db2.gz SVJNWHJPULUJKG-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000574757197 377703930 /nfs/dbraw/zinc/70/39/30/377703930.db2.gz SVJNWHJPULUJKG-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000255896973 377785866 /nfs/dbraw/zinc/78/58/66/377785866.db2.gz VGJXTLNVYYPDJU-AWFCHZOYSA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000255896973 377785875 /nfs/dbraw/zinc/78/58/75/377785875.db2.gz VGJXTLNVYYPDJU-AWFCHZOYSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255896973 377785878 /nfs/dbraw/zinc/78/58/78/377785878.db2.gz VGJXTLNVYYPDJU-AWFCHZOYSA-N 2 1 276.399 3.113 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255896973 377785883 /nfs/dbraw/zinc/78/58/83/377785883.db2.gz VGJXTLNVYYPDJU-AWFCHZOYSA-N 2 1 276.399 3.113 20 0 CGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000261561586 377817962 /nfs/dbraw/zinc/81/79/62/377817962.db2.gz FZJMEEAEHUWNBH-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc2ccccc2o1 ZINC000261590153 377823393 /nfs/dbraw/zinc/82/33/93/377823393.db2.gz LBRZXAUTPJLWLJ-SGMGOOAPSA-N 2 1 258.365 3.081 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc2ccccc2o1 ZINC000261589883 377824364 /nfs/dbraw/zinc/82/43/64/377824364.db2.gz LBRZXAUTPJLWLJ-DYEKYZERSA-N 2 1 258.365 3.081 20 0 CGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261681837 377839151 /nfs/dbraw/zinc/83/91/51/377839151.db2.gz AHSJNKCIGYSYDF-OALUTQOASA-N 2 1 286.463 3.331 20 0 CGADMP CCC[N@@H+](C[C@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000261936973 377869662 /nfs/dbraw/zinc/86/96/62/377869662.db2.gz MEIBPXLHBMPVAV-AWEZNQCLSA-N 2 1 278.415 3.393 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccsc1 ZINC000262037092 377881589 /nfs/dbraw/zinc/88/15/89/377881589.db2.gz XVOFWQUSLQERTP-DZGCQCFKSA-N 2 1 266.454 3.001 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000262458949 377898791 /nfs/dbraw/zinc/89/87/91/377898791.db2.gz IKKJYAFTULJTEZ-WOJBJXKFSA-N 2 1 292.426 3.395 20 0 CGADMP CC(C)C[C@@H]1CCCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262056572 377884348 /nfs/dbraw/zinc/88/43/48/377884348.db2.gz QTCRLYYSMYDMHY-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000342858751 377842223 /nfs/dbraw/zinc/84/22/23/377842223.db2.gz BWSGIBWQAUSGLD-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP CC1(C)CCC[N@@H+](Cc2cccc3nccn32)CC1 ZINC000342919274 377858024 /nfs/dbraw/zinc/85/80/24/377858024.db2.gz STAWUBUDKCDJGA-UHFFFAOYSA-N 2 1 257.381 3.346 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000343149993 377914418 /nfs/dbraw/zinc/91/44/18/377914418.db2.gz BKCTYIPEFLVSPT-UHFFFAOYSA-N 2 1 279.472 3.354 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000343149993 377914420 /nfs/dbraw/zinc/91/44/20/377914420.db2.gz BKCTYIPEFLVSPT-UHFFFAOYSA-N 2 1 279.472 3.354 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000343643786 378051969 /nfs/dbraw/zinc/05/19/69/378051969.db2.gz ZETPBFDBUVEBJL-HUUCEWRRSA-N 2 1 288.366 3.288 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000343643786 378051978 /nfs/dbraw/zinc/05/19/78/378051978.db2.gz ZETPBFDBUVEBJL-HUUCEWRRSA-N 2 1 288.366 3.288 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000578517178 378077024 /nfs/dbraw/zinc/07/70/24/378077024.db2.gz VMAYFCGOZYOKIE-SMLCLMEVSA-N 2 1 264.457 3.418 20 0 CGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CCC3)CC2)cc1 ZINC000268803058 378116374 /nfs/dbraw/zinc/11/63/74/378116374.db2.gz LDUQCTLVDKIVOR-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP CSCC[C@H](C)[N@@H+](C)CCc1ccncc1C ZINC000578983982 378118263 /nfs/dbraw/zinc/11/82/63/378118263.db2.gz DIHKRHOWCJHTSZ-ZDUSSCGKSA-N 2 1 252.427 3.006 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000268815128 378119274 /nfs/dbraw/zinc/11/92/74/378119274.db2.gz NJVYNWRXTUBWFJ-AWEZNQCLSA-N 2 1 271.408 3.147 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nc(C(C)(C)C)cs1 ZINC000579004794 378120736 /nfs/dbraw/zinc/12/07/36/378120736.db2.gz PONISLBJZKONAH-SRVKXCTJSA-N 2 1 281.469 3.361 20 0 CGADMP COc1cc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccn1 ZINC000579187091 378137599 /nfs/dbraw/zinc/13/75/99/378137599.db2.gz HRMXSAMNMYEMQA-LBPRGKRZSA-N 2 1 291.439 3.050 20 0 CGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268875893 378139637 /nfs/dbraw/zinc/13/96/37/378139637.db2.gz VODISIZDKSBLRF-JFIYKMOQSA-N 2 1 290.451 3.054 20 0 CGADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268875893 378139644 /nfs/dbraw/zinc/13/96/44/378139644.db2.gz VODISIZDKSBLRF-JFIYKMOQSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000579313938 378148715 /nfs/dbraw/zinc/14/87/15/378148715.db2.gz UVAILUCBWCONPX-MSOLQXFVSA-N 2 1 283.419 3.437 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000268785150 378111127 /nfs/dbraw/zinc/11/11/27/378111127.db2.gz DOQSMWVXNOQHLY-CYBMUJFWSA-N 2 1 269.392 3.031 20 0 CGADMP CCC(CC)[C@H](NC[C@H](O)C[N@@H+](C)CC)c1cccs1 ZINC000579854887 378203104 /nfs/dbraw/zinc/20/31/04/378203104.db2.gz OBDIMPZDNUKRJI-HOCLYGCPSA-N 2 1 298.496 3.128 20 0 CGADMP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1cccs1 ZINC000579854887 378203111 /nfs/dbraw/zinc/20/31/11/378203111.db2.gz OBDIMPZDNUKRJI-HOCLYGCPSA-N 2 1 298.496 3.128 20 0 CGADMP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1cccs1 ZINC000579854887 378203115 /nfs/dbraw/zinc/20/31/15/378203115.db2.gz OBDIMPZDNUKRJI-HOCLYGCPSA-N 2 1 298.496 3.128 20 0 CGADMP Cc1ccoc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000344314697 378166960 /nfs/dbraw/zinc/16/69/60/378166960.db2.gz UYVFNEAMBZHTQC-UHFFFAOYSA-N 2 1 285.391 3.050 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2ccccc2n1 ZINC000268995812 378169177 /nfs/dbraw/zinc/16/91/77/378169177.db2.gz KNXOGLZMNOZDEU-UONOGXRCSA-N 2 1 271.408 3.226 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000579563938 378172608 /nfs/dbraw/zinc/17/26/08/378172608.db2.gz GXLJYKNWETYAAA-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000582094283 378286113 /nfs/dbraw/zinc/28/61/13/378286113.db2.gz DCMWFCMEAXDUKV-QGZVFWFLSA-N 2 1 288.479 3.458 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC1Cc2ccccc2C1 ZINC000580264496 378235839 /nfs/dbraw/zinc/23/58/39/378235839.db2.gz AMAGHQSPQILPBA-JKSUJKDBSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC1Cc2ccccc2C1 ZINC000580264496 378235844 /nfs/dbraw/zinc/23/58/44/378235844.db2.gz AMAGHQSPQILPBA-JKSUJKDBSA-N 2 1 286.463 3.111 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000583971404 378362813 /nfs/dbraw/zinc/36/28/13/378362813.db2.gz HUEMICOFJXPGQE-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccn1 ZINC000583268401 378316121 /nfs/dbraw/zinc/31/61/21/378316121.db2.gz ONBDTWRTVKFVSV-UHFFFAOYSA-N 2 1 295.430 3.138 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000583971404 378362820 /nfs/dbraw/zinc/36/28/20/378362820.db2.gz HUEMICOFJXPGQE-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ccc([C@H](C)[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000583638613 378337570 /nfs/dbraw/zinc/33/75/70/378337570.db2.gz CSEKKKWTLMYXKP-HNNXBMFYSA-N 2 1 271.408 3.354 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000583638613 378337578 /nfs/dbraw/zinc/33/75/78/378337578.db2.gz CSEKKKWTLMYXKP-HNNXBMFYSA-N 2 1 271.408 3.354 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CCn2ccnc2C)c1 ZINC000270676744 378385755 /nfs/dbraw/zinc/38/57/55/378385755.db2.gz SSMLADZVZQZISO-QGZVFWFLSA-N 2 1 285.391 3.037 20 0 CGADMP CCO[C@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C1(CC)CC ZINC000346272908 378528603 /nfs/dbraw/zinc/52/86/03/378528603.db2.gz HPXGLFDPDVZNRF-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(CC)CC ZINC000346272908 378528607 /nfs/dbraw/zinc/52/86/07/378528607.db2.gz HPXGLFDPDVZNRF-HOTGVXAUSA-N 2 1 293.455 3.107 20 0 CGADMP CCC[C@H](C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346150906 378480732 /nfs/dbraw/zinc/48/07/32/378480732.db2.gz NPYKXVSUGXZBLS-ZDUSSCGKSA-N 2 1 272.396 3.196 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000271564560 378497213 /nfs/dbraw/zinc/49/72/13/378497213.db2.gz ONVQMNRGAURCAA-AWEZNQCLSA-N 2 1 273.424 3.058 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCn1cc[nH+]c1C ZINC000346319399 378542216 /nfs/dbraw/zinc/54/22/16/378542216.db2.gz XWGUPGIUDSRUCS-GOSISDBHSA-N 2 1 285.435 3.453 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000346319399 378542221 /nfs/dbraw/zinc/54/22/21/378542221.db2.gz XWGUPGIUDSRUCS-GOSISDBHSA-N 2 1 285.435 3.453 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000346451440 378582579 /nfs/dbraw/zinc/58/25/79/378582579.db2.gz FVPLDAXHAPRGCF-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000346451440 378582584 /nfs/dbraw/zinc/58/25/84/378582584.db2.gz FVPLDAXHAPRGCF-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000346654064 378663148 /nfs/dbraw/zinc/66/31/48/378663148.db2.gz RDMBZVWUEVFQJO-QWRGUYRKSA-N 2 1 293.461 3.041 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000346654064 378663157 /nfs/dbraw/zinc/66/31/57/378663157.db2.gz RDMBZVWUEVFQJO-QWRGUYRKSA-N 2 1 293.461 3.041 20 0 CGADMP Cc1cc[nH+]c(N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000346671167 378669011 /nfs/dbraw/zinc/66/90/11/378669011.db2.gz PMBFECHDCGJIME-UHFFFAOYSA-N 2 1 296.418 3.138 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000346668419 378669706 /nfs/dbraw/zinc/66/97/06/378669706.db2.gz IMXLGTCNYQAHOA-QWHCGFSZSA-N 2 1 288.366 3.255 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)cc1 ZINC000347993635 378747167 /nfs/dbraw/zinc/74/71/67/378747167.db2.gz BYENCTFLCCJWKR-KDOFPFPSSA-N 2 1 299.418 3.258 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(C(C)C)CC2)C1 ZINC000638128598 378710340 /nfs/dbraw/zinc/71/03/40/378710340.db2.gz UZDUYBJMQCQNQP-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(C(C)C)CC2)C1 ZINC000638128598 378710344 /nfs/dbraw/zinc/71/03/44/378710344.db2.gz UZDUYBJMQCQNQP-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2(C(C)C)CC2)C1 ZINC000638128598 378710346 /nfs/dbraw/zinc/71/03/46/378710346.db2.gz UZDUYBJMQCQNQP-OAHLLOKOSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348099285 378791617 /nfs/dbraw/zinc/79/16/17/378791617.db2.gz BAZULKAZVAHHQE-YJNKXOJESA-N 2 1 250.430 3.028 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346846551 218033809 /nfs/dbraw/zinc/03/38/09/218033809.db2.gz LMLIXIQSQDUVTL-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP Cc1cc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)oc2cc1C ZINC000346827933 218027121 /nfs/dbraw/zinc/02/71/21/218027121.db2.gz MXXANCRAONFCQA-JQFCIGGWSA-N 2 1 284.403 3.219 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000274403889 378826508 /nfs/dbraw/zinc/82/65/08/378826508.db2.gz YITPXFBKHCZWHX-HUUCEWRRSA-N 2 1 278.440 3.033 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000274403889 378826512 /nfs/dbraw/zinc/82/65/12/378826512.db2.gz YITPXFBKHCZWHX-HUUCEWRRSA-N 2 1 278.440 3.033 20 0 CGADMP CC[N@@H+](C)Cc1cccc(CNc2cc[nH+]c(C)c2)c1 ZINC000274406310 378826936 /nfs/dbraw/zinc/82/69/36/378826936.db2.gz YVYUSUUIWSPLNW-UHFFFAOYSA-N 2 1 269.392 3.454 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC000274790189 378895560 /nfs/dbraw/zinc/89/55/60/378895560.db2.gz BTNOBMYJLUCVPD-QVDQZQSHSA-N 2 1 278.827 3.239 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348265830 378873663 /nfs/dbraw/zinc/87/36/63/378873663.db2.gz XDHGVXNBMCDFNB-ZWKOTPCHSA-N 2 1 283.419 3.365 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638838620 378931705 /nfs/dbraw/zinc/93/17/05/378931705.db2.gz MQRJZHQMZZCZSR-QZTJIDSGSA-N 2 1 270.420 3.032 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000638770003 378907308 /nfs/dbraw/zinc/90/73/08/378907308.db2.gz ZNTLVHKAITXLEJ-RDTXWAMCSA-N 2 1 299.418 3.400 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000348331537 378912092 /nfs/dbraw/zinc/91/20/92/378912092.db2.gz KAASASNBGHCPPA-LKTVYLICSA-N 2 1 291.345 3.485 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000346993869 218083770 /nfs/dbraw/zinc/08/37/70/218083770.db2.gz AWNMDLKLIYEXGM-JSGCOSHPSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000346993869 218083771 /nfs/dbraw/zinc/08/37/71/218083771.db2.gz AWNMDLKLIYEXGM-JSGCOSHPSA-N 2 1 293.480 3.360 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000346997195 218085335 /nfs/dbraw/zinc/08/53/35/218085335.db2.gz CNLIOXPCPKIUJX-IUODEOHRSA-N 2 1 272.392 3.164 20 0 CGADMP C[N@H+](Cc1ccccc1OC1CCCC1)C1CC[NH2+]CC1 ZINC000347030661 218099295 /nfs/dbraw/zinc/09/92/95/218099295.db2.gz XMQVVTPJRGLQBE-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C[N@@H+](Cc1ccccc1OC1CCCC1)C1CC[NH2+]CC1 ZINC000347030661 218099298 /nfs/dbraw/zinc/09/92/98/218099298.db2.gz XMQVVTPJRGLQBE-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Cl)c1 ZINC000275217105 378950220 /nfs/dbraw/zinc/95/02/20/378950220.db2.gz BYXQQUHBUMIMSP-DOMZBBRYSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Cl)c1 ZINC000275217105 378950226 /nfs/dbraw/zinc/95/02/26/378950226.db2.gz BYXQQUHBUMIMSP-DOMZBBRYSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Cl)c1 ZINC000275217105 378950231 /nfs/dbraw/zinc/95/02/31/378950231.db2.gz BYXQQUHBUMIMSP-DOMZBBRYSA-N 2 1 266.816 3.112 20 0 CGADMP Cc1[nH+]ccn1CCSCC[N@@H+](C)Cc1ccccc1 ZINC000278587375 194058233 /nfs/dbraw/zinc/05/82/33/194058233.db2.gz GOQRFUYAROFVPA-UHFFFAOYSA-N 2 1 289.448 3.057 20 0 CGADMP Cc1[nH+]ccn1CCSCC[N@H+](C)Cc1ccccc1 ZINC000278587375 194058234 /nfs/dbraw/zinc/05/82/34/194058234.db2.gz GOQRFUYAROFVPA-UHFFFAOYSA-N 2 1 289.448 3.057 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348533711 378979874 /nfs/dbraw/zinc/97/98/74/378979874.db2.gz LJIJUHVTKYVWFS-LDDOYCOJSA-N 2 1 288.435 3.014 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000276717358 378984826 /nfs/dbraw/zinc/98/48/26/378984826.db2.gz DTFPLMXKGCESMO-DYVFJYSZSA-N 2 1 299.418 3.200 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111402 218124440 /nfs/dbraw/zinc/12/44/40/218124440.db2.gz QDOISWDHDLMHFB-KXBFYZLASA-N 2 1 295.430 3.450 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111402 218124443 /nfs/dbraw/zinc/12/44/43/218124443.db2.gz QDOISWDHDLMHFB-KXBFYZLASA-N 2 1 295.430 3.450 20 0 CGADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353683892 220255591 /nfs/dbraw/zinc/25/55/91/220255591.db2.gz GKGUQCPMXUIHMA-NMFUWQPSSA-N 2 1 293.480 3.017 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC)c(F)c2)C1 ZINC000278589839 194059839 /nfs/dbraw/zinc/05/98/39/194059839.db2.gz ZKQJSUFZJUWUSR-OAHLLOKOSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC)c(F)c2)C1 ZINC000278589839 194059840 /nfs/dbraw/zinc/05/98/40/194059840.db2.gz ZKQJSUFZJUWUSR-OAHLLOKOSA-N 2 1 294.414 3.046 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccccc1CC(F)(F)F ZINC000639168436 379086654 /nfs/dbraw/zinc/08/66/54/379086654.db2.gz UIHPACPBWIGKFG-UHFFFAOYSA-N 2 1 288.357 3.175 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1CC(F)(F)F ZINC000639168436 379086665 /nfs/dbraw/zinc/08/66/65/379086665.db2.gz UIHPACPBWIGKFG-UHFFFAOYSA-N 2 1 288.357 3.175 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277231267 379103654 /nfs/dbraw/zinc/10/36/54/379103654.db2.gz OTGDNCZZUZQCMX-INIZCTEOSA-N 2 1 260.425 3.220 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)CC1 ZINC000277229051 379104117 /nfs/dbraw/zinc/10/41/17/379104117.db2.gz ONXUDKNKMRCBOY-GOSISDBHSA-N 2 1 290.451 3.009 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(OC)CCCC1 ZINC000349144715 379169521 /nfs/dbraw/zinc/16/95/21/379169521.db2.gz CYPBMBLXHHOXQV-UHFFFAOYSA-N 2 1 293.455 3.117 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(OC)CCCC1 ZINC000349144715 379169532 /nfs/dbraw/zinc/16/95/32/379169532.db2.gz CYPBMBLXHHOXQV-UHFFFAOYSA-N 2 1 293.455 3.117 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000372950119 379205624 /nfs/dbraw/zinc/20/56/24/379205624.db2.gz OECHOWWPZYABIS-NXOAAHMSSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000372950119 379205627 /nfs/dbraw/zinc/20/56/27/379205627.db2.gz OECHOWWPZYABIS-NXOAAHMSSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000372950119 379205631 /nfs/dbraw/zinc/20/56/31/379205631.db2.gz OECHOWWPZYABIS-NXOAAHMSSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000372950119 379205634 /nfs/dbraw/zinc/20/56/34/379205634.db2.gz OECHOWWPZYABIS-NXOAAHMSSA-N 2 1 262.441 3.005 20 0 CGADMP CCOC1CC(C[NH2+]CCC[N@@H+](CC)C2CCCCC2)C1 ZINC000639291696 379239003 /nfs/dbraw/zinc/23/90/03/379239003.db2.gz SPNZBMFLTTWALB-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c2ncccc2c1 ZINC000349364076 379249436 /nfs/dbraw/zinc/24/94/36/379249436.db2.gz FNJMXGNUIPIXAB-UHFFFAOYSA-N 2 1 285.435 3.317 20 0 CGADMP CC[N@H+](CCCc1ccc(C)nc1)CCC[NH+]1CCCC1 ZINC000349408852 379271001 /nfs/dbraw/zinc/27/10/01/379271001.db2.gz QOMWVHOSGMQKCX-UHFFFAOYSA-N 2 1 289.467 3.130 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C)c1 ZINC000349422886 379277284 /nfs/dbraw/zinc/27/72/84/379277284.db2.gz WCWGRQGCJZHPLB-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C)c1 ZINC000349422886 379277290 /nfs/dbraw/zinc/27/72/90/379277290.db2.gz WCWGRQGCJZHPLB-UHFFFAOYSA-N 2 1 268.832 3.422 20 0 CGADMP CC1=C(c2ccco2)CN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000374511559 379449939 /nfs/dbraw/zinc/44/99/39/379449939.db2.gz CGRZQNBTLUYKKN-HNNXBMFYSA-N 2 1 274.408 3.243 20 0 CGADMP CC1=C(c2ccco2)C[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000374511559 379449947 /nfs/dbraw/zinc/44/99/47/379449947.db2.gz CGRZQNBTLUYKKN-HNNXBMFYSA-N 2 1 274.408 3.243 20 0 CGADMP CC1=C(c2ccco2)C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000374511559 379449956 /nfs/dbraw/zinc/44/99/56/379449956.db2.gz CGRZQNBTLUYKKN-HNNXBMFYSA-N 2 1 274.408 3.243 20 0 CGADMP CC1=C(c2ccco2)C[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000374511559 379449965 /nfs/dbraw/zinc/44/99/65/379449965.db2.gz CGRZQNBTLUYKKN-HNNXBMFYSA-N 2 1 274.408 3.243 20 0 CGADMP CC1=C(c2ccco2)C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000374511559 379449975 /nfs/dbraw/zinc/44/99/75/379449975.db2.gz CGRZQNBTLUYKKN-HNNXBMFYSA-N 2 1 274.408 3.243 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510241 379442919 /nfs/dbraw/zinc/44/29/19/379442919.db2.gz ZHGLPJAOZIQORY-DOTOQJQBSA-N 2 1 289.467 3.311 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510241 379442926 /nfs/dbraw/zinc/44/29/26/379442926.db2.gz ZHGLPJAOZIQORY-DOTOQJQBSA-N 2 1 289.467 3.311 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510241 379442934 /nfs/dbraw/zinc/44/29/34/379442934.db2.gz ZHGLPJAOZIQORY-DOTOQJQBSA-N 2 1 289.467 3.311 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510241 379442948 /nfs/dbraw/zinc/44/29/48/379442948.db2.gz ZHGLPJAOZIQORY-DOTOQJQBSA-N 2 1 289.467 3.311 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(C)c1 ZINC000278970140 194235097 /nfs/dbraw/zinc/23/50/97/194235097.db2.gz NNDOWMXXUJGHJN-HZPDHXFCSA-N 2 1 283.419 3.413 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccn1 ZINC000278925417 379409257 /nfs/dbraw/zinc/40/92/57/379409257.db2.gz IJMMGTSHMCRRDV-WBVHZDCISA-N 2 1 298.434 3.218 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278951118 194226914 /nfs/dbraw/zinc/22/69/14/194226914.db2.gz LKBUCVMPGCCJGP-LSDHHAIUSA-N 2 1 269.392 3.105 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374335687 379424442 /nfs/dbraw/zinc/42/44/42/379424442.db2.gz YLTYNIKLDXXGQB-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374335687 379424447 /nfs/dbraw/zinc/42/44/47/379424447.db2.gz YLTYNIKLDXXGQB-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374335688 379425428 /nfs/dbraw/zinc/42/54/28/379425428.db2.gz YLTYNIKLDXXGQB-JKSUJKDBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374335688 379425433 /nfs/dbraw/zinc/42/54/33/379425433.db2.gz YLTYNIKLDXXGQB-JKSUJKDBSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000349992795 379473818 /nfs/dbraw/zinc/47/38/18/379473818.db2.gz UGBPJKDPTZXGQA-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000349992795 379473827 /nfs/dbraw/zinc/47/38/27/379473827.db2.gz UGBPJKDPTZXGQA-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581839 379489051 /nfs/dbraw/zinc/48/90/51/379489051.db2.gz ZOTSWMATCKVXEI-YQQAZPJKSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000570058876 322264106 /nfs/dbraw/zinc/26/41/06/322264106.db2.gz KONHQRJUTSULDV-NXOAAHMSSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000570058876 322264107 /nfs/dbraw/zinc/26/41/07/322264107.db2.gz KONHQRJUTSULDV-NXOAAHMSSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000639980428 379672158 /nfs/dbraw/zinc/67/21/58/379672158.db2.gz XGGSJMXQFMVMRH-MRXNPFEDSA-N 2 1 296.524 3.470 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000639980428 379672162 /nfs/dbraw/zinc/67/21/62/379672162.db2.gz XGGSJMXQFMVMRH-MRXNPFEDSA-N 2 1 296.524 3.470 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377619739 379706376 /nfs/dbraw/zinc/70/63/76/379706376.db2.gz DRYKAWCCBBFJGW-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377619739 379706386 /nfs/dbraw/zinc/70/63/86/379706386.db2.gz DRYKAWCCBBFJGW-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377619739 379706394 /nfs/dbraw/zinc/70/63/94/379706394.db2.gz DRYKAWCCBBFJGW-VPEURPPWSA-N 2 1 264.457 3.370 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000347745909 218342197 /nfs/dbraw/zinc/34/21/97/218342197.db2.gz JJOJKOJJZGASBY-UHFFFAOYSA-N 2 1 291.398 3.342 20 0 CGADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352246448 379756504 /nfs/dbraw/zinc/75/65/04/379756504.db2.gz PUFUWPVFLCEPOU-CYBMUJFWSA-N 2 1 289.448 3.098 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000352541337 379849478 /nfs/dbraw/zinc/84/94/78/379849478.db2.gz WSJRSTDOBFIJJX-KRWDZBQOSA-N 2 1 288.435 3.179 20 0 CGADMP CCCc1csc(C[N@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000352546719 379853493 /nfs/dbraw/zinc/85/34/93/379853493.db2.gz ZKLQPZRIHJLTTB-UHFFFAOYSA-N 2 1 295.496 3.437 20 0 CGADMP CCCc1csc(C[N@@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000352546719 379853499 /nfs/dbraw/zinc/85/34/99/379853499.db2.gz ZKLQPZRIHJLTTB-UHFFFAOYSA-N 2 1 295.496 3.437 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC1CCOCC1 ZINC000640534097 379818959 /nfs/dbraw/zinc/81/89/59/379818959.db2.gz LLLYELXLJGJOSM-UHFFFAOYSA-N 2 1 282.472 3.001 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217972 379824522 /nfs/dbraw/zinc/82/45/22/379824522.db2.gz TXTVBBQPCVDNQM-NUTKFTJISA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217972 379824527 /nfs/dbraw/zinc/82/45/27/379824527.db2.gz TXTVBBQPCVDNQM-NUTKFTJISA-N 2 1 276.399 3.275 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000378451285 379826284 /nfs/dbraw/zinc/82/62/84/379826284.db2.gz JFJBAZFHURNLAB-UHFFFAOYSA-N 2 1 293.414 3.100 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000387654090 379878695 /nfs/dbraw/zinc/87/86/95/379878695.db2.gz LINIINRCDKKBGF-PMPSAXMXSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)C(C)C ZINC000347843215 218374186 /nfs/dbraw/zinc/37/41/86/218374186.db2.gz FYHNBGFHFXBLLV-GFCCVEGCSA-N 2 1 269.458 3.071 20 0 CGADMP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)C(C)C ZINC000347843215 218374188 /nfs/dbraw/zinc/37/41/88/218374188.db2.gz FYHNBGFHFXBLLV-GFCCVEGCSA-N 2 1 269.458 3.071 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000355337548 284809898 /nfs/dbraw/zinc/80/98/98/284809898.db2.gz XFBIGTTVVGTUHK-WDEREUQCSA-N 2 1 254.340 3.037 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000401887814 379958459 /nfs/dbraw/zinc/95/84/59/379958459.db2.gz VCYRHDKPWVLTBV-KRWDZBQOSA-N 2 1 269.392 3.020 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1csc(Cl)c1 ZINC000401825460 379959185 /nfs/dbraw/zinc/95/91/85/379959185.db2.gz DAZRHYYTZLJUHG-SECBINFHSA-N 2 1 269.801 3.028 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000401718201 379959251 /nfs/dbraw/zinc/95/92/51/379959251.db2.gz CIDINSAVPGIZFW-CABCVRRESA-N 2 1 263.429 3.157 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(SC)s1 ZINC000352841383 379997671 /nfs/dbraw/zinc/99/76/71/379997671.db2.gz QQMPCZVUTOGLMU-UHFFFAOYSA-N 2 1 272.483 3.292 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000352860239 380009596 /nfs/dbraw/zinc/00/95/96/380009596.db2.gz AALOLYDHQOESJY-JQHSSLGASA-N 2 1 294.483 3.069 20 0 CGADMP CN1CC[C@H]2CC[N@@H+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995768 380068325 /nfs/dbraw/zinc/06/83/25/380068325.db2.gz NVEPOBHIYDMABD-BBRMVZONSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@@H+]1CC[C@H]2CCN(Cc3csc4ccccc34)[C@H]2C1 ZINC000352995768 380068326 /nfs/dbraw/zinc/06/83/26/380068326.db2.gz NVEPOBHIYDMABD-BBRMVZONSA-N 2 1 286.444 3.427 20 0 CGADMP C[N@H+]1CC[C@H]2CCN(Cc3csc4ccccc34)[C@H]2C1 ZINC000352995768 380068331 /nfs/dbraw/zinc/06/83/31/380068331.db2.gz NVEPOBHIYDMABD-BBRMVZONSA-N 2 1 286.444 3.427 20 0 CGADMP CC(C)(C)CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410377627 380091343 /nfs/dbraw/zinc/09/13/43/380091343.db2.gz DXYGSXGDPHBBAU-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000283167341 380040896 /nfs/dbraw/zinc/04/08/96/380040896.db2.gz IZAYSFMMBKABLN-ZFQZYHBASA-N 2 1 286.463 3.499 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000410391862 380093850 /nfs/dbraw/zinc/09/38/50/380093850.db2.gz NFIGOXWHLBHOQF-DOTOQJQBSA-N 2 1 266.473 3.332 20 0 CGADMP Clc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000643249841 380244999 /nfs/dbraw/zinc/24/49/99/380244999.db2.gz PRUFOZVGZVQXTO-OKILXGFUSA-N 2 1 286.806 3.144 20 0 CGADMP Clc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000643249841 380245007 /nfs/dbraw/zinc/24/50/07/380245007.db2.gz PRUFOZVGZVQXTO-OKILXGFUSA-N 2 1 286.806 3.144 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)CC(F)(F)F ZINC000414275058 380208361 /nfs/dbraw/zinc/20/83/61/380208361.db2.gz VXHKXYXPNRQFQI-UMSGYPCISA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC[N@@H+]1C ZINC000414300715 380209288 /nfs/dbraw/zinc/20/92/88/380209288.db2.gz LCKMUBSTBHUBQE-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC[N@H+]1C ZINC000414300715 380209292 /nfs/dbraw/zinc/20/92/92/380209292.db2.gz LCKMUBSTBHUBQE-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(F)c1 ZINC000643477598 380316831 /nfs/dbraw/zinc/31/68/31/380316831.db2.gz PTFJAYRBQZVFHL-MDFVCYEDSA-N 2 1 282.790 3.413 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000643499006 380320445 /nfs/dbraw/zinc/32/04/45/380320445.db2.gz KWNZDUQOXCOJAX-HNNXBMFYSA-N 2 1 250.386 3.018 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502484 380326233 /nfs/dbraw/zinc/32/62/33/380326233.db2.gz HVHOAKDAOWZUKO-IUODEOHRSA-N 2 1 282.378 3.018 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502952 380326244 /nfs/dbraw/zinc/32/62/44/380326244.db2.gz VYHQSRLPNDDNAG-HIFRSBDPSA-N 2 1 272.392 3.096 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502951 380326394 /nfs/dbraw/zinc/32/63/94/380326394.db2.gz VYHQSRLPNDDNAG-DZGCQCFKSA-N 2 1 272.392 3.096 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cn1 ZINC000643548711 380365314 /nfs/dbraw/zinc/36/53/14/380365314.db2.gz UCKUUKXJKKADCO-AAEUAGOBSA-N 2 1 279.815 3.060 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677504 380367527 /nfs/dbraw/zinc/36/75/27/380367527.db2.gz OXQPORLCZRKAJE-HOCLYGCPSA-N 2 1 278.415 3.424 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccs2)CC[NH2+]1 ZINC000414681824 380370609 /nfs/dbraw/zinc/37/06/09/380370609.db2.gz PUTZNSIKDYZQJY-RDBSUJKOSA-N 2 1 264.438 3.273 20 0 CGADMP [NH3+]CCC[NH+](Cc1cccs1)Cc1cccs1 ZINC000414683783 380373030 /nfs/dbraw/zinc/37/30/30/380373030.db2.gz UPMOSCOGWPBZOV-UHFFFAOYSA-N 2 1 266.435 3.161 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2CC(C)(C)C)CC[NH2+]1 ZINC000414687368 380374486 /nfs/dbraw/zinc/37/44/86/380374486.db2.gz HCHNFUKTFJMSTJ-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414708127 380381459 /nfs/dbraw/zinc/38/14/59/380381459.db2.gz OUOKBFXCJVUKNB-RDJZCZTQSA-N 2 1 290.451 3.294 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCC2CCCCC2)CC[NH2+]1 ZINC000414703865 380382045 /nfs/dbraw/zinc/38/20/45/380382045.db2.gz YLHWFVVQEXWPCT-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414769004 380396589 /nfs/dbraw/zinc/39/65/89/380396589.db2.gz VYCLIQGQVVXXTA-UHIISALHSA-N 2 1 286.341 3.088 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414769004 380396598 /nfs/dbraw/zinc/39/65/98/380396598.db2.gz VYCLIQGQVVXXTA-UHIISALHSA-N 2 1 286.341 3.088 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCCc2ccccc2)CC[NH2+]1 ZINC000414709081 380383445 /nfs/dbraw/zinc/38/34/45/380383445.db2.gz QWOFTNBKRMGETI-SJLPKXTDSA-N 2 1 274.452 3.329 20 0 CGADMP CC[N@@H+](C[C@@H](C)Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000414713461 380385803 /nfs/dbraw/zinc/38/58/03/380385803.db2.gz KQHJRFKZDAXERK-WMZOPIPTSA-N 2 1 274.452 3.329 20 0 CGADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)c1ccccc1 ZINC000414717474 380386040 /nfs/dbraw/zinc/38/60/40/380386040.db2.gz ZNJCLHGHIMYHQN-GVDBMIGSSA-N 2 1 290.451 3.084 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414741767 380391014 /nfs/dbraw/zinc/39/10/14/380391014.db2.gz LBPTVIRNPZZAHA-KBPBESRZSA-N 2 1 278.465 3.228 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414741773 380391584 /nfs/dbraw/zinc/39/15/84/380391584.db2.gz LBPTVIRNPZZAHA-UONOGXRCSA-N 2 1 278.465 3.228 20 0 CGADMP Cc1nc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(C)s1 ZINC000643523752 380339140 /nfs/dbraw/zinc/33/91/40/380339140.db2.gz PCJQJXNVAFSCFH-JTQLQIEISA-N 2 1 287.432 3.214 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000643525959 380340535 /nfs/dbraw/zinc/34/05/35/380340535.db2.gz KINXAGORNJEXLP-GJZGRUSLSA-N 2 1 284.403 3.263 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000643528731 380345298 /nfs/dbraw/zinc/34/52/98/380345298.db2.gz NQBDNLMOFSSNQK-VHSXEESVSA-N 2 1 292.370 3.339 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)Cc1ccsc1 ZINC000414760865 380395156 /nfs/dbraw/zinc/39/51/56/380395156.db2.gz RQDVOXOFRHIWHW-SOUVJXGZSA-N 2 1 280.481 3.389 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414662013 380358355 /nfs/dbraw/zinc/35/83/55/380358355.db2.gz PLKFGYJLDWSABE-AAEUAGOBSA-N 2 1 286.341 3.183 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000643546284 380358968 /nfs/dbraw/zinc/35/89/68/380358968.db2.gz LXUCJZQVDAACSR-QWHCGFSZSA-N 2 1 292.398 3.160 20 0 CGADMP [NH3+]C[C@H]([NH2+]CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000414816841 380427853 /nfs/dbraw/zinc/42/78/53/380427853.db2.gz YCWWCBREHDAHLB-PVARCSIZSA-N 2 1 272.436 3.287 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414816283 380428611 /nfs/dbraw/zinc/42/86/11/380428611.db2.gz ZUQOMXVNAXCBNR-UHFFFAOYSA-N 2 1 283.419 3.356 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(Br)c1 ZINC000414818116 380430963 /nfs/dbraw/zinc/43/09/63/380430963.db2.gz UUILCFJRMVGIFS-ZDUSSCGKSA-N 2 1 285.229 3.056 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414821634 380432216 /nfs/dbraw/zinc/43/22/16/380432216.db2.gz CMMAJRMWVBKWGU-GFCCVEGCSA-N 2 1 288.357 3.226 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414855570 380457553 /nfs/dbraw/zinc/45/75/53/380457553.db2.gz XBJAOPJPWNFGBY-UKRRQHHQSA-N 2 1 280.481 3.303 20 0 CGADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCCCC1 ZINC000414834499 380442759 /nfs/dbraw/zinc/44/27/59/380442759.db2.gz CGUHNARFJPJRMG-SNAWJCMRSA-N 2 1 280.362 3.229 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2)CCCCC1 ZINC000414839915 380448399 /nfs/dbraw/zinc/44/83/99/380448399.db2.gz JYPWVUKXUULXRH-UHFFFAOYSA-N 2 1 252.789 3.091 20 0 CGADMP C[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414843328 380449883 /nfs/dbraw/zinc/44/98/83/380449883.db2.gz BTCJZESVJPQADE-GXTWGEPZSA-N 2 1 293.480 3.278 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414780901 380400328 /nfs/dbraw/zinc/40/03/28/380400328.db2.gz MCZMDDWBTHGKPK-ROUUACIJSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000414778980 380401185 /nfs/dbraw/zinc/40/11/85/380401185.db2.gz JXZTYMUTKNLXQR-GJZGRUSLSA-N 2 1 278.465 3.186 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414784180 380403590 /nfs/dbraw/zinc/40/35/90/380403590.db2.gz QWIJCSBEEIZSIM-CVEARBPZSA-N 2 1 292.854 3.470 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000414798134 380412742 /nfs/dbraw/zinc/41/27/42/380412742.db2.gz FAOFJIUTGHOPRO-UHFFFAOYSA-N 2 1 286.419 3.456 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1Oc1cccnc1 ZINC000414803755 380416599 /nfs/dbraw/zinc/41/65/99/380416599.db2.gz WTUQGKZEWMJXIW-KRWDZBQOSA-N 2 1 299.418 3.255 20 0 CGADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(Cl)c1 ZINC000414942032 380500378 /nfs/dbraw/zinc/50/03/78/380500378.db2.gz ZDENMRCNOXWAKW-ZOWXZIJZSA-N 2 1 266.816 3.031 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000414954436 380502560 /nfs/dbraw/zinc/50/25/60/380502560.db2.gz MWPUTMABIJNEEB-QSPRXWTASA-N 2 1 258.409 3.053 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](C/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000644784137 380510316 /nfs/dbraw/zinc/51/03/16/380510316.db2.gz BAZDTUJDKNIRSY-KYVUIXNKSA-N 2 1 290.838 3.381 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](C/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000644784137 380510322 /nfs/dbraw/zinc/51/03/22/380510322.db2.gz BAZDTUJDKNIRSY-KYVUIXNKSA-N 2 1 290.838 3.381 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](C/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000644784137 380510327 /nfs/dbraw/zinc/51/03/27/380510327.db2.gz BAZDTUJDKNIRSY-KYVUIXNKSA-N 2 1 290.838 3.381 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](C/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000644784137 380510333 /nfs/dbraw/zinc/51/03/33/380510333.db2.gz BAZDTUJDKNIRSY-KYVUIXNKSA-N 2 1 290.838 3.381 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414862929 380463689 /nfs/dbraw/zinc/46/36/89/380463689.db2.gz BIMZEGJSLLRGIH-NSHDSACASA-N 2 1 274.861 3.312 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1C(C)(C)C1(C)C ZINC000354515487 380465326 /nfs/dbraw/zinc/46/53/26/380465326.db2.gz SRHDFFZGFBJZQK-AVGNSLFASA-N 2 1 252.446 3.129 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C(C)(C)C1(C)C ZINC000354515487 380465332 /nfs/dbraw/zinc/46/53/32/380465332.db2.gz SRHDFFZGFBJZQK-AVGNSLFASA-N 2 1 252.446 3.129 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000414875808 380469689 /nfs/dbraw/zinc/46/96/89/380469689.db2.gz JWEWHIXCIVMIPL-MSOLQXFVSA-N 2 1 287.451 3.120 20 0 CGADMP CC(C)c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414875721 380470186 /nfs/dbraw/zinc/47/01/86/380470186.db2.gz JHVNQCCYHMDKCA-UHFFFAOYSA-N 2 1 297.446 3.475 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1Oc1cccnc1 ZINC000414900966 380481613 /nfs/dbraw/zinc/48/16/13/380481613.db2.gz WQHCGLRZVMUECN-KRWDZBQOSA-N 2 1 297.402 3.009 20 0 CGADMP CCOCC[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000354736487 380544417 /nfs/dbraw/zinc/54/44/17/380544417.db2.gz IQVMWWPXXDQJBL-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP CCOCC[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000354736487 380544424 /nfs/dbraw/zinc/54/44/24/380544424.db2.gz IQVMWWPXXDQJBL-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP CCOCC[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000354736487 380544432 /nfs/dbraw/zinc/54/44/32/380544432.db2.gz IQVMWWPXXDQJBL-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP CCOCC[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000354736487 380544443 /nfs/dbraw/zinc/54/44/43/380544443.db2.gz IQVMWWPXXDQJBL-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302929 380588076 /nfs/dbraw/zinc/58/80/76/380588076.db2.gz CFFKOKOTZXZZBU-BEAPCOKYSA-N 2 1 278.465 3.170 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323785 380592768 /nfs/dbraw/zinc/59/27/68/380592768.db2.gz PDUUYVVRCKTSRL-UVPYHEFZSA-N 2 1 290.476 3.457 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323787 380593469 /nfs/dbraw/zinc/59/34/69/380593469.db2.gz PDUUYVVRCKTSRL-XFIYOXNOSA-N 2 1 290.476 3.457 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000355161621 380604492 /nfs/dbraw/zinc/60/44/92/380604492.db2.gz WENMOKNAYWSVRJ-HNNXBMFYSA-N 2 1 278.415 3.304 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000355161621 380604494 /nfs/dbraw/zinc/60/44/94/380604494.db2.gz WENMOKNAYWSVRJ-HNNXBMFYSA-N 2 1 278.415 3.304 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC12CC2 ZINC000417359426 380607164 /nfs/dbraw/zinc/60/71/64/380607164.db2.gz IPYAIZKWDHEFNG-BPQIPLTHSA-N 2 1 284.447 3.287 20 0 CGADMP Fc1ccc2c(cc[nH+]c2NCC2CC[NH+](C3CC3)CC2)c1 ZINC000645226457 380623490 /nfs/dbraw/zinc/62/34/90/380623490.db2.gz ZEOHMEKXNNHHJD-UHFFFAOYSA-N 2 1 299.393 3.082 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000645474376 380686698 /nfs/dbraw/zinc/68/66/98/380686698.db2.gz OAKPDLWGHCTBLU-VGWMRTNUSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CC1CC1)C1CCC1 ZINC000355735052 380763998 /nfs/dbraw/zinc/76/39/98/380763998.db2.gz RRLNMZGDRMOWCY-UHFFFAOYSA-N 2 1 296.418 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419337970 380808766 /nfs/dbraw/zinc/80/87/66/380808766.db2.gz RPMWDXONYHEOJT-CABCVRRESA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419337970 380808772 /nfs/dbraw/zinc/80/87/72/380808772.db2.gz RPMWDXONYHEOJT-CABCVRRESA-N 2 1 263.429 3.338 20 0 CGADMP Clc1cccc2c1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000420306568 380844130 /nfs/dbraw/zinc/84/41/30/380844130.db2.gz QLAYZOJKMJUHRQ-CYBMUJFWSA-N 2 1 278.827 3.088 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000420309734 380848967 /nfs/dbraw/zinc/84/89/67/380848967.db2.gz FERSJYNQCVTARM-ZFWWWQNUSA-N 2 1 293.480 3.150 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420313920 380849178 /nfs/dbraw/zinc/84/91/78/380849178.db2.gz KJDVCKROQAGLOH-XZJROXQQSA-N 2 1 276.811 3.011 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420313920 380849181 /nfs/dbraw/zinc/84/91/81/380849181.db2.gz KJDVCKROQAGLOH-XZJROXQQSA-N 2 1 276.811 3.011 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420336007 380852153 /nfs/dbraw/zinc/85/21/53/380852153.db2.gz VHZVZXBUMQFGKW-SZMVWBNQSA-N 2 1 272.436 3.378 20 0 CGADMP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H](C)[NH3+])C(C)C ZINC000420412727 380852431 /nfs/dbraw/zinc/85/24/31/380852431.db2.gz SORKUAVFRYLURB-XHDPSFHLSA-N 2 1 260.381 3.375 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420378357 380852463 /nfs/dbraw/zinc/85/24/63/380852463.db2.gz QIVBXGYJAXCMJU-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420378357 380852470 /nfs/dbraw/zinc/85/24/70/380852470.db2.gz QIVBXGYJAXCMJU-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C1C([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC12CCCCC2 ZINC000421334100 380879322 /nfs/dbraw/zinc/87/93/22/380879322.db2.gz PILYYDTVOYTYBI-GDBMZVCRSA-N 2 1 262.441 3.316 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000356835171 380891187 /nfs/dbraw/zinc/89/11/87/380891187.db2.gz CHIXCNADVMXZQS-DZGCQCFKSA-N 2 1 294.414 3.359 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000356835171 380891191 /nfs/dbraw/zinc/89/11/91/380891191.db2.gz CHIXCNADVMXZQS-DZGCQCFKSA-N 2 1 294.414 3.359 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC1 ZINC000356862474 380905282 /nfs/dbraw/zinc/90/52/82/380905282.db2.gz ZVOHOFXEZZLCQZ-WMLDXEAASA-N 2 1 258.409 3.039 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC1 ZINC000356862474 380905294 /nfs/dbraw/zinc/90/52/94/380905294.db2.gz ZVOHOFXEZZLCQZ-WMLDXEAASA-N 2 1 258.409 3.039 20 0 CGADMP C[NH+](C)C1CCC([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000421370097 380908686 /nfs/dbraw/zinc/90/86/86/380908686.db2.gz IWAQCHKCSXZTEK-UHFFFAOYSA-N 2 1 298.434 3.039 20 0 CGADMP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2cc(F)ccc2[nH+]1 ZINC000357533041 381198070 /nfs/dbraw/zinc/19/80/70/381198070.db2.gz PKXCSVNJCWNDRZ-OCCSQVGLSA-N 2 1 299.393 3.141 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CCC2 ZINC000359644027 381358742 /nfs/dbraw/zinc/35/87/42/381358742.db2.gz YRZYIHNYCRLVLO-CYBMUJFWSA-N 2 1 281.469 3.149 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@H+](C)C(C)C)CCC2 ZINC000359644027 381358749 /nfs/dbraw/zinc/35/87/49/381358749.db2.gz YRZYIHNYCRLVLO-CYBMUJFWSA-N 2 1 281.469 3.149 20 0 CGADMP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000361274503 381671259 /nfs/dbraw/zinc/67/12/59/381671259.db2.gz RVWJWWGVEIEUNF-UHFFFAOYSA-N 2 1 260.425 3.303 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000361274503 381671263 /nfs/dbraw/zinc/67/12/63/381671263.db2.gz RVWJWWGVEIEUNF-UHFFFAOYSA-N 2 1 260.425 3.303 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000361532437 381789331 /nfs/dbraw/zinc/78/93/31/381789331.db2.gz XVOXGVQDXVGUBV-HNNXBMFYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000361532437 381789337 /nfs/dbraw/zinc/78/93/37/381789337.db2.gz XVOXGVQDXVGUBV-HNNXBMFYSA-N 2 1 263.429 3.340 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362516481 382031311 /nfs/dbraw/zinc/03/13/11/382031311.db2.gz QEYKRLBTGBUMAV-CABCVRRESA-N 2 1 284.806 3.442 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363795109 382257748 /nfs/dbraw/zinc/25/77/48/382257748.db2.gz YAQWVBKLJJIQKW-HYVNUMGLSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000367058293 382331573 /nfs/dbraw/zinc/33/15/73/382331573.db2.gz RVLRXSJFZOGRQP-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000245690103 542323103 /nfs/dbraw/zinc/32/31/03/542323103.db2.gz PANVXRJRUAQZSL-ZBRFXRBCSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1C[C@@H]2CCC[C@H]2C1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000245690093 542323365 /nfs/dbraw/zinc/32/33/65/542323365.db2.gz PANVXRJRUAQZSL-ICUGJSFKSA-N 2 1 276.468 3.229 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247958158 542332133 /nfs/dbraw/zinc/33/21/33/542332133.db2.gz FVSPVANBTWKBNW-RVKKMQEKSA-N 2 1 274.452 3.110 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368752913 382381542 /nfs/dbraw/zinc/38/15/42/382381542.db2.gz FSHXGMDFJDWCPU-QYZOEREBSA-N 2 1 286.463 3.470 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388435 542334660 /nfs/dbraw/zinc/33/46/60/542334660.db2.gz QZCFFMMUBIETHZ-PKOBYXMFSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388435 542334665 /nfs/dbraw/zinc/33/46/65/542334665.db2.gz QZCFFMMUBIETHZ-PKOBYXMFSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388435 542334668 /nfs/dbraw/zinc/33/46/68/542334668.db2.gz QZCFFMMUBIETHZ-PKOBYXMFSA-N 2 1 295.430 3.151 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000251946489 542348531 /nfs/dbraw/zinc/34/85/31/542348531.db2.gz WKQZPDJLZGFKRJ-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415555 542349521 /nfs/dbraw/zinc/34/95/21/542349521.db2.gz LRJCWWRIHWOPER-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423450450 532974726 /nfs/dbraw/zinc/97/47/26/532974726.db2.gz SYJLCIGFYSDFIJ-MXWKQRLJSA-N 2 1 290.329 3.014 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000281120275 195112657 /nfs/dbraw/zinc/11/26/57/195112657.db2.gz XNIPFHNJDNTOQA-SFHVURJKSA-N 2 1 299.418 3.345 20 0 CGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345189380 285095075 /nfs/dbraw/zinc/09/50/75/285095075.db2.gz MQQIRDRXBMZEIF-QGZVFWFLSA-N 2 1 260.425 3.267 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423382756 533061310 /nfs/dbraw/zinc/06/13/10/533061310.db2.gz OOJGTQWUSXCGNP-FRRDWIJNSA-N 2 1 264.438 3.200 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(O)c1 ZINC000289411799 197334042 /nfs/dbraw/zinc/33/40/42/197334042.db2.gz HXGVMGQMTHFZIL-UHFFFAOYSA-N 2 1 298.430 3.476 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1SC ZINC000424370597 533120864 /nfs/dbraw/zinc/12/08/64/533120864.db2.gz DSHOETGFIIADSN-MRVWCRGKSA-N 2 1 294.464 3.338 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000414178063 533167386 /nfs/dbraw/zinc/16/73/86/533167386.db2.gz KCSXABYQKHSBAA-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339066053 542486111 /nfs/dbraw/zinc/48/61/11/542486111.db2.gz AMBQDOVDUFUROC-YUELXQCFSA-N 2 1 294.389 3.285 20 0 CGADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339074054 542486188 /nfs/dbraw/zinc/48/61/88/542486188.db2.gz IILZGNBXFZKFPM-YYIAUSFCSA-N 2 1 294.483 3.044 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c(C)c2c1 ZINC000423287343 533357352 /nfs/dbraw/zinc/35/73/52/533357352.db2.gz LPWUQLJSFPOHOZ-LLVKDONJSA-N 2 1 276.380 3.138 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cncs1 ZINC000359926913 533383547 /nfs/dbraw/zinc/38/35/47/533383547.db2.gz TYFKIQSUBFVDFY-MGPQQGTHSA-N 2 1 281.469 3.162 20 0 CGADMP COc1c(C)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000368782164 533399382 /nfs/dbraw/zinc/39/93/82/533399382.db2.gz RPTJSQZMNSRRLU-IRXDYDNUSA-N 2 1 288.435 3.028 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414186892 533409470 /nfs/dbraw/zinc/40/94/70/533409470.db2.gz PPOGFZQBFCDFDV-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2ccccc2n1 ZINC000423341791 533424573 /nfs/dbraw/zinc/42/45/73/533424573.db2.gz WXSUPVGRLPWWIW-KDOFPFPSSA-N 2 1 283.419 3.275 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423339465 533438925 /nfs/dbraw/zinc/43/89/25/533438925.db2.gz VDISDYXZXYFOOU-MLGOLLRUSA-N 2 1 298.377 3.328 20 0 CGADMP C[C@@H]([NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)[C@H](C)[NH3+] ZINC000423442399 533512665 /nfs/dbraw/zinc/51/26/65/533512665.db2.gz BRXHODTVEMNZFV-IYOUNJFTSA-N 2 1 286.394 3.435 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000423269299 533536484 /nfs/dbraw/zinc/53/64/84/533536484.db2.gz FHKFQUSIYOBMJZ-FZKQIMNGSA-N 2 1 281.403 3.137 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000423356895 533548197 /nfs/dbraw/zinc/54/81/97/533548197.db2.gz HLQGGTOBIROAFK-AYZDXNEBSA-N 2 1 292.389 3.331 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[N@@H+]1C ZINC000449170374 533642238 /nfs/dbraw/zinc/64/22/38/533642238.db2.gz ILFWXZRVYBUYQD-CTMQZQKCSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[N@H+]1C ZINC000449170374 533642248 /nfs/dbraw/zinc/64/22/48/533642248.db2.gz ILFWXZRVYBUYQD-CTMQZQKCSA-N 2 1 294.483 3.329 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000191658409 130272403 /nfs/dbraw/zinc/27/24/03/130272403.db2.gz QUIOYBPVGNOUJO-BFHYXJOUSA-N 2 1 287.407 3.255 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000414924737 542640781 /nfs/dbraw/zinc/64/07/81/542640781.db2.gz KNCLOGAMOZYMGR-NXEZZACHSA-N 2 1 273.207 3.353 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000019912938 391937138 /nfs/dbraw/zinc/93/71/38/391937138.db2.gz RTKDQNTZIOBRIS-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000050544599 392065295 /nfs/dbraw/zinc/06/52/95/392065295.db2.gz SPTOCXNYSVNZIW-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000050544599 392065305 /nfs/dbraw/zinc/06/53/05/392065305.db2.gz SPTOCXNYSVNZIW-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000285931230 392350831 /nfs/dbraw/zinc/35/08/31/392350831.db2.gz FHCJUVKCFXQJSC-HOTGVXAUSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000285931230 392350834 /nfs/dbraw/zinc/35/08/34/392350834.db2.gz FHCJUVKCFXQJSC-HOTGVXAUSA-N 2 1 275.440 3.161 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2Cl)C1 ZINC000249381906 131121348 /nfs/dbraw/zinc/12/13/48/131121348.db2.gz RYDSDRVXVXNYLW-NEPJUHHUSA-N 2 1 284.806 3.472 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2Cl)C1 ZINC000249381906 131121350 /nfs/dbraw/zinc/12/13/50/131121350.db2.gz RYDSDRVXVXNYLW-NEPJUHHUSA-N 2 1 284.806 3.472 20 0 CGADMP Cc1cc(N(C)C)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251057329 131128102 /nfs/dbraw/zinc/12/81/02/131128102.db2.gz VXSPUQJMQHDAOG-ZBFHGGJFSA-N 2 1 273.424 3.100 20 0 CGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453294410 542680489 /nfs/dbraw/zinc/68/04/89/542680489.db2.gz FNAGGLZERYNCKC-OKZBNKHCSA-N 2 1 290.451 3.227 20 0 CGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)OC ZINC000453294410 542680493 /nfs/dbraw/zinc/68/04/93/542680493.db2.gz FNAGGLZERYNCKC-OKZBNKHCSA-N 2 1 290.451 3.227 20 0 CGADMP C([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCSC1 ZINC000366661551 392456791 /nfs/dbraw/zinc/45/67/91/392456791.db2.gz CYLGPRKEKUEMCT-GDBMZVCRSA-N 2 1 282.497 3.126 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000132234872 392460485 /nfs/dbraw/zinc/46/04/85/392460485.db2.gz JYYBJENSKNJXOG-KBPBESRZSA-N 2 1 278.399 3.426 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000151851922 392486647 /nfs/dbraw/zinc/48/66/47/392486647.db2.gz KSWDBGLNXXMWHU-DYEKYZERSA-N 2 1 282.378 3.141 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000151926419 392489642 /nfs/dbraw/zinc/48/96/42/392489642.db2.gz ZTRAWBVQVZYDLB-CYBMUJFWSA-N 2 1 266.454 3.401 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccn1 ZINC000152380215 392505051 /nfs/dbraw/zinc/50/50/51/392505051.db2.gz SDKTWKOOOVTCRL-CRAIPNDOSA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000152380215 392505062 /nfs/dbraw/zinc/50/50/62/392505062.db2.gz SDKTWKOOOVTCRL-CRAIPNDOSA-N 2 1 287.451 3.243 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000158857718 392577394 /nfs/dbraw/zinc/57/73/94/392577394.db2.gz YFJGZPUYHVUSCO-AEFFLSMTSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000161878963 392587690 /nfs/dbraw/zinc/58/76/90/392587690.db2.gz XWYRQYUQTYMVLA-ZBFHGGJFSA-N 2 1 293.430 3.383 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000156575972 392548051 /nfs/dbraw/zinc/54/80/51/392548051.db2.gz YDGYQYSEHDJGFS-SGMGOOAPSA-N 2 1 264.438 3.198 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)CC[N@H+]1C ZINC000156575972 392548058 /nfs/dbraw/zinc/54/80/58/392548058.db2.gz YDGYQYSEHDJGFS-SGMGOOAPSA-N 2 1 264.438 3.198 20 0 CGADMP Cc1cccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000157398369 392550702 /nfs/dbraw/zinc/55/07/02/392550702.db2.gz ZFJSCPROBVDQCW-QGZVFWFLSA-N 2 1 287.451 3.482 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000647325827 392669315 /nfs/dbraw/zinc/66/93/15/392669315.db2.gz QOYRPELLGPSYER-DDBAPUKQSA-N 2 1 272.436 3.110 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3cccc(C)c3)CCC2)CC1 ZINC000647331722 392676081 /nfs/dbraw/zinc/67/60/81/392676081.db2.gz IDRUYXAKDAWJLT-UHFFFAOYSA-N 2 1 272.436 3.448 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000647284566 392637417 /nfs/dbraw/zinc/63/74/17/392637417.db2.gz WIYSPEMVNRDQCE-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000647288850 392638952 /nfs/dbraw/zinc/63/89/52/392638952.db2.gz RHRFJYBIZPBAGA-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCc2ccccc2Cl)CC1 ZINC000372989989 392654270 /nfs/dbraw/zinc/65/42/70/392654270.db2.gz NJFQQLMBYCRIDN-OAHLLOKOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ccccc2Cl)CC1 ZINC000372989989 392654272 /nfs/dbraw/zinc/65/42/72/392654272.db2.gz NJFQQLMBYCRIDN-OAHLLOKOSA-N 2 1 280.843 3.299 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000181276579 392726602 /nfs/dbraw/zinc/72/66/02/392726602.db2.gz BPMPUBOIRWPKIS-TVNOUSRMSA-N 2 1 296.499 3.289 20 0 CGADMP CCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506477743 392726993 /nfs/dbraw/zinc/72/69/93/392726993.db2.gz CCMOBYMIRSNQJC-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506477743 392726997 /nfs/dbraw/zinc/72/69/97/392726997.db2.gz CCMOBYMIRSNQJC-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506477743 392727001 /nfs/dbraw/zinc/72/70/01/392727001.db2.gz CCMOBYMIRSNQJC-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP FC(F)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482508 392736875 /nfs/dbraw/zinc/73/68/75/392736875.db2.gz KTSWRDZOWWEWTE-UHFFFAOYSA-N 2 1 280.362 3.341 20 0 CGADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CCCCC1 ZINC000647482411 392736900 /nfs/dbraw/zinc/73/69/00/392736900.db2.gz CZVXSJACVXBFQA-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482516 392737146 /nfs/dbraw/zinc/73/71/46/392737146.db2.gz LJUDQKQREQMEIE-OAHLLOKOSA-N 2 1 272.436 3.397 20 0 CGADMP CC1(C)CCC(C[N@@H+](C2CC2)C2CC[NH2+]CC2)CC1 ZINC000647482450 392737265 /nfs/dbraw/zinc/73/72/65/392737265.db2.gz GPFZPPBCTKTSOU-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP FC(F)(F)c1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483096 392739045 /nfs/dbraw/zinc/73/90/45/392739045.db2.gz YVNOUCXXZMAKDZ-UHFFFAOYSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483096 392739047 /nfs/dbraw/zinc/73/90/47/392739047.db2.gz YVNOUCXXZMAKDZ-UHFFFAOYSA-N 2 1 298.352 3.422 20 0 CGADMP c1ccc(C2CC2)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647483086 392739110 /nfs/dbraw/zinc/73/91/10/392739110.db2.gz YBLMYMCKIKTTFU-UHFFFAOYSA-N 2 1 270.420 3.280 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647497363 392740829 /nfs/dbraw/zinc/74/08/29/392740829.db2.gz FAMPRRXWWXKCAC-AEFFLSMTSA-N 2 1 290.451 3.295 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1[NH3+] ZINC000647498673 392742019 /nfs/dbraw/zinc/74/20/19/392742019.db2.gz MSOBQYGCXWPSRG-LPHOPBHVSA-N 2 1 295.430 3.308 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534186 392756639 /nfs/dbraw/zinc/75/66/39/392756639.db2.gz IIHACOBPTIZDSE-SQNIBIBYSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534186 392756647 /nfs/dbraw/zinc/75/66/47/392756647.db2.gz IIHACOBPTIZDSE-SQNIBIBYSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)(C)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543898 392761024 /nfs/dbraw/zinc/76/10/24/392761024.db2.gz UFOINCAGOWAJOX-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP CC[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937053 392838052 /nfs/dbraw/zinc/83/80/52/392838052.db2.gz QDESKBPWIVNOLR-GOEBONIOSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000375508729 392787398 /nfs/dbraw/zinc/78/73/98/392787398.db2.gz UUOZXHSVXAYLTL-GOEBONIOSA-N 2 1 288.435 3.463 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000189378796 392805696 /nfs/dbraw/zinc/80/56/96/392805696.db2.gz ZXYNMRGACFPDIR-ZMSDIMECSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000189378796 392805699 /nfs/dbraw/zinc/80/56/99/392805699.db2.gz ZXYNMRGACFPDIR-ZMSDIMECSA-N 2 1 286.419 3.035 20 0 CGADMP C(CC1CCCC1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814777 392808185 /nfs/dbraw/zinc/80/81/85/392808185.db2.gz FNZNPBMYZKEADM-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP Clc1ccc(CCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815174 392809002 /nfs/dbraw/zinc/80/90/02/392809002.db2.gz SGNADGJTUBEKRM-UHFFFAOYSA-N 2 1 292.854 3.489 20 0 CGADMP CCCCC[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647872614 392819220 /nfs/dbraw/zinc/81/92/20/392819220.db2.gz IGONEFANPDOXGJ-INIZCTEOSA-N 2 1 278.415 3.427 20 0 CGADMP Oc1ccc([C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647882055 392824733 /nfs/dbraw/zinc/82/47/33/392824733.db2.gz HBPBAUABQZAAJG-GOSISDBHSA-N 2 1 288.435 3.309 20 0 CGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1C ZINC000647889448 392826213 /nfs/dbraw/zinc/82/62/13/392826213.db2.gz RMWAHJULTONOHA-SJLPKXTDSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925507 392833942 /nfs/dbraw/zinc/83/39/42/392833942.db2.gz LXWNBCCYJNJKFV-NSHDSACASA-N 2 1 252.789 3.214 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925506 392834589 /nfs/dbraw/zinc/83/45/89/392834589.db2.gz LXWNBCCYJNJKFV-LLVKDONJSA-N 2 1 252.789 3.214 20 0 CGADMP CC1=CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000648068338 392899158 /nfs/dbraw/zinc/89/91/58/392899158.db2.gz SHFURNDMOBDXBZ-QRVBRYPASA-N 2 1 284.447 3.420 20 0 CGADMP C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCCn2ccnc2)C1 ZINC000376021325 392853482 /nfs/dbraw/zinc/85/34/82/392853482.db2.gz LAUZNCNKPOXNMJ-KRWDZBQOSA-N 2 1 287.382 3.076 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977844 392855345 /nfs/dbraw/zinc/85/53/45/392855345.db2.gz IYAMSUCTZYXZCV-KBPBESRZSA-N 2 1 292.389 3.431 20 0 CGADMP CCC[C@@]1(COC)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000194941562 392947178 /nfs/dbraw/zinc/94/71/78/392947178.db2.gz BRQFUHCBVARURA-KRWDZBQOSA-N 2 1 282.472 3.144 20 0 CGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOC(C)(C)C)C2)CC1 ZINC000194953537 392947890 /nfs/dbraw/zinc/94/78/90/392947890.db2.gz FHNXKYODLHTISS-QGZVFWFLSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459799176 392955808 /nfs/dbraw/zinc/95/58/08/392955808.db2.gz YNXBCYVZSBGPEO-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000195135588 392957622 /nfs/dbraw/zinc/95/76/22/392957622.db2.gz AHXXDLVCLMAWML-NVXWUHKLSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]1COCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000195118524 392957773 /nfs/dbraw/zinc/95/77/73/392957773.db2.gz ZSFQLKGJKIMMSY-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CCC[C@]1(COC)CCC[N@H+]1Cc1cccc2nccn21 ZINC000195199277 392961493 /nfs/dbraw/zinc/96/14/93/392961493.db2.gz APPKTAPRUSHVAO-QGZVFWFLSA-N 2 1 287.407 3.115 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000216090990 392989183 /nfs/dbraw/zinc/98/91/83/392989183.db2.gz JWEBZHUVLNADNC-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000221881027 393007560 /nfs/dbraw/zinc/00/75/60/393007560.db2.gz CIXJQDVFGCMCEG-VHRBIJSZSA-N 2 1 266.454 3.498 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)s1 ZINC000221881027 393007568 /nfs/dbraw/zinc/00/75/68/393007568.db2.gz CIXJQDVFGCMCEG-VHRBIJSZSA-N 2 1 266.454 3.498 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466356651 393023977 /nfs/dbraw/zinc/02/39/77/393023977.db2.gz QIYGDIVNIKGJFE-BLYZHGLHSA-N 2 1 292.389 3.285 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248006818 393082462 /nfs/dbraw/zinc/08/24/62/393082462.db2.gz KXKWLHDPUULFTN-IFIJOSMWSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248006818 393082469 /nfs/dbraw/zinc/08/24/69/393082469.db2.gz KXKWLHDPUULFTN-IFIJOSMWSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248006818 393082475 /nfs/dbraw/zinc/08/24/75/393082475.db2.gz KXKWLHDPUULFTN-IFIJOSMWSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248006818 393082482 /nfs/dbraw/zinc/08/24/82/393082482.db2.gz KXKWLHDPUULFTN-IFIJOSMWSA-N 2 1 294.389 3.442 20 0 CGADMP Cc1ccc(-c2cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c2)cc1 ZINC000415007046 393091458 /nfs/dbraw/zinc/09/14/58/393091458.db2.gz LBJRCGQZDZBXAT-HUUCEWRRSA-N 2 1 268.404 3.487 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000347014308 393098224 /nfs/dbraw/zinc/09/82/24/393098224.db2.gz WRINDRNSLODMLG-NUJGCVRESA-N 2 1 272.436 3.112 20 0 CGADMP CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415033302 393104796 /nfs/dbraw/zinc/10/47/96/393104796.db2.gz BMAVFASGVAFHSN-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1C[C@@H](NCc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648465001 393035118 /nfs/dbraw/zinc/03/51/18/393035118.db2.gz NJNIVFKZUFYGPF-MFKMUULPSA-N 2 1 293.798 3.054 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CCN1C ZINC000648465001 393035121 /nfs/dbraw/zinc/03/51/21/393035121.db2.gz NJNIVFKZUFYGPF-MFKMUULPSA-N 2 1 293.798 3.054 20 0 CGADMP CC1([NH2+]Cc2cnc(C3CCCC3)s2)CC[NH2+]CC1 ZINC000414948987 393058251 /nfs/dbraw/zinc/05/82/51/393058251.db2.gz ZDZPJFCIOOGNPV-UHFFFAOYSA-N 2 1 279.453 3.032 20 0 CGADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000414958466 393065021 /nfs/dbraw/zinc/06/50/21/393065021.db2.gz DDPDUMRNRRMAQL-RTBURBONSA-N 2 1 295.430 3.160 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[NH2+]1 ZINC000414961427 393066985 /nfs/dbraw/zinc/06/69/85/393066985.db2.gz ZBGXVHQTKGOBJK-QWRGUYRKSA-N 2 1 293.461 3.102 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000415052551 393114323 /nfs/dbraw/zinc/11/43/23/393114323.db2.gz IMFRFZDAIXDQBH-AWEZNQCLSA-N 2 1 286.822 3.375 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000415054026 393114891 /nfs/dbraw/zinc/11/48/91/393114891.db2.gz LCYLVFMOLGOIOH-KRWDZBQOSA-N 2 1 283.419 3.212 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000251450736 393118341 /nfs/dbraw/zinc/11/83/41/393118341.db2.gz BRSHVTTUSHJQCQ-QRTARXTBSA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000415058289 393119444 /nfs/dbraw/zinc/11/94/44/393119444.db2.gz VGONDUKNBYBAAK-LBPRGKRZSA-N 2 1 256.340 3.087 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415059482 393119784 /nfs/dbraw/zinc/11/97/84/393119784.db2.gz WZFNGLFDWKCHOB-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415060180 393122402 /nfs/dbraw/zinc/12/24/02/393122402.db2.gz YIPWLEWNWYJFDV-ZFWWWQNUSA-N 2 1 293.480 3.231 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415060180 393122406 /nfs/dbraw/zinc/12/24/06/393122406.db2.gz YIPWLEWNWYJFDV-ZFWWWQNUSA-N 2 1 293.480 3.231 20 0 CGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1SC ZINC000415068198 393126698 /nfs/dbraw/zinc/12/66/98/393126698.db2.gz QOKWJYRMOVSAEQ-AWEZNQCLSA-N 2 1 294.464 3.024 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCSCc1ccccc1)C1CCCC1 ZINC000415071266 393128230 /nfs/dbraw/zinc/12/82/30/393128230.db2.gz WIQIRRWHPSBQDI-MRXNPFEDSA-N 2 1 278.465 3.027 20 0 CGADMP c1csc(-c2ncc(C[NH2+]CCC[NH2+]C3CC3)s2)c1 ZINC000415071377 393128426 /nfs/dbraw/zinc/12/84/26/393128426.db2.gz SUYALRDWLDREEF-UHFFFAOYSA-N 2 1 293.461 3.103 20 0 CGADMP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415080517 393134535 /nfs/dbraw/zinc/13/45/35/393134535.db2.gz YSMPGGBAYWIGRU-LBPRGKRZSA-N 2 1 284.806 3.143 20 0 CGADMP c1csc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415083901 393136772 /nfs/dbraw/zinc/13/67/72/393136772.db2.gz GCCXVZIRNLTFNR-GOEBONIOSA-N 2 1 272.417 3.331 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000468358739 393137682 /nfs/dbraw/zinc/13/76/82/393137682.db2.gz VPPRTISTRACTJJ-FZKCQIBNSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000261554827 393141025 /nfs/dbraw/zinc/14/10/25/393141025.db2.gz PCWKCUBTHDHETA-LLVKDONJSA-N 2 1 270.829 3.204 20 0 CGADMP c1ccc(C(C[NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415090967 393142217 /nfs/dbraw/zinc/14/22/17/393142217.db2.gz ZZZPCJAMFJGNIX-SFHVURJKSA-N 2 1 280.415 3.160 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000468552633 393151632 /nfs/dbraw/zinc/15/16/32/393151632.db2.gz HRPIUMQCCJYQGY-BQFCYCMXSA-N 2 1 274.452 3.388 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000468552633 393151639 /nfs/dbraw/zinc/15/16/39/393151639.db2.gz HRPIUMQCCJYQGY-BQFCYCMXSA-N 2 1 274.452 3.388 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000468552636 393152242 /nfs/dbraw/zinc/15/22/42/393152242.db2.gz HRPIUMQCCJYQGY-XYJFISCASA-N 2 1 274.452 3.388 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000468552636 393152245 /nfs/dbraw/zinc/15/22/45/393152245.db2.gz HRPIUMQCCJYQGY-XYJFISCASA-N 2 1 274.452 3.388 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc2s1 ZINC000415128525 393153043 /nfs/dbraw/zinc/15/30/43/393153043.db2.gz OFOLQLLZHVBXCW-SMDDNHRTSA-N 2 1 289.448 3.021 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000547862905 393158779 /nfs/dbraw/zinc/15/87/79/393158779.db2.gz QHCQNPJZPCHNDT-DLBZAZTESA-N 2 1 283.419 3.135 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000277225663 393306378 /nfs/dbraw/zinc/30/63/78/393306378.db2.gz OHWJZNJEGBPYKF-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP CC(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000470997994 393270680 /nfs/dbraw/zinc/27/06/80/393270680.db2.gz VRFQWDHKQPPCMK-HDICACEKSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470997994 393270685 /nfs/dbraw/zinc/27/06/85/393270685.db2.gz VRFQWDHKQPPCMK-HDICACEKSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470997994 393270687 /nfs/dbraw/zinc/27/06/87/393270687.db2.gz VRFQWDHKQPPCMK-HDICACEKSA-N 2 1 272.436 3.096 20 0 CGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1Cl ZINC000649308823 393396806 /nfs/dbraw/zinc/39/68/06/393396806.db2.gz VZFYZPPETQSKFO-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(F)(F)CC1 ZINC000647186065 393375141 /nfs/dbraw/zinc/37/51/41/393375141.db2.gz AVJLJISWDZMHEO-UHFFFAOYSA-N 2 1 271.355 3.139 20 0 CGADMP C[C@H]1CCC[N@H+]1Cc1cccc(C2=CC[NH2+]CC2)c1 ZINC000649443012 393433490 /nfs/dbraw/zinc/43/34/90/393433490.db2.gz IJMILCUORUTIFO-AWEZNQCLSA-N 2 1 256.393 3.048 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)C)[C@H](C)C1 ZINC000483133217 393441717 /nfs/dbraw/zinc/44/17/17/393441717.db2.gz HLJHXNREKCEVOK-ZACQAIPSSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000420293747 393451591 /nfs/dbraw/zinc/45/15/91/393451591.db2.gz AHSYBMIYHCSGRR-JFIYKMOQSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@H]([NH3+])C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000420297787 393452828 /nfs/dbraw/zinc/45/28/28/393452828.db2.gz DOPGRFOGOYPVJI-INIZCTEOSA-N 2 1 268.404 3.079 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000420297787 393452831 /nfs/dbraw/zinc/45/28/31/393452831.db2.gz DOPGRFOGOYPVJI-INIZCTEOSA-N 2 1 268.404 3.079 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCc1cccc(F)c1 ZINC000420295981 393454185 /nfs/dbraw/zinc/45/41/85/393454185.db2.gz WKBIUZNQCXCSIX-INIZCTEOSA-N 2 1 266.404 3.064 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427118509 393454456 /nfs/dbraw/zinc/45/44/56/393454456.db2.gz YEAAZLVSIYOCKD-QZTJIDSGSA-N 2 1 272.436 3.036 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(Cl)c1Cl ZINC000420301643 393455066 /nfs/dbraw/zinc/45/50/66/393455066.db2.gz IRAMZCYFMPPMGA-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000420300143 393455325 /nfs/dbraw/zinc/45/53/25/393455325.db2.gz HIUHJBGQTWDWGC-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP C[N@@H+](CCOc1ccc(Cl)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420301645 393455792 /nfs/dbraw/zinc/45/57/92/393455792.db2.gz IREXOTMNZLJOGJ-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000420299839 393456241 /nfs/dbraw/zinc/45/62/41/393456241.db2.gz JNLRBXFXLWAXDF-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420308472 393459191 /nfs/dbraw/zinc/45/91/91/393459191.db2.gz SHFFZTOXFLXYIA-NUJGCVRESA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@]1(c2ccccc2)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311394 393459671 /nfs/dbraw/zinc/45/96/71/393459671.db2.gz VTIXTACHEINQKB-FUHWJXTLSA-N 2 1 272.436 3.040 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420308003 393459779 /nfs/dbraw/zinc/45/97/79/393459779.db2.gz RUVPVQBGCPLKLN-CKEIUWERSA-N 2 1 276.399 3.208 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420315304 393461683 /nfs/dbraw/zinc/46/16/83/393461683.db2.gz LOQORXPPFYKUPP-CRAIPNDOSA-N 2 1 288.435 3.222 20 0 CGADMP CCc1cccc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000420316996 393463395 /nfs/dbraw/zinc/46/33/95/393463395.db2.gz UDKROPQWQAOXFW-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420394424 393483118 /nfs/dbraw/zinc/48/31/18/393483118.db2.gz KMGHUWAMGSUMQT-MSOLQXFVSA-N 2 1 272.436 3.213 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000420317577 393463986 /nfs/dbraw/zinc/46/39/86/393463986.db2.gz VEPOGPKMCBJQJR-WBMJQRKESA-N 2 1 278.827 3.388 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420321357 393466264 /nfs/dbraw/zinc/46/62/64/393466264.db2.gz RAYPCWZHQUFNDE-UONOGXRCSA-N 2 1 295.496 3.396 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420324355 393467453 /nfs/dbraw/zinc/46/74/53/393467453.db2.gz VBJSLUDZVJPFNP-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325576 393468854 /nfs/dbraw/zinc/46/88/54/393468854.db2.gz IVQSFYLECSOTET-LSDHHAIUSA-N 2 1 290.476 3.230 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CCC1 ZINC000429515087 393471790 /nfs/dbraw/zinc/47/17/90/393471790.db2.gz ARGIZJGZCBXCPQ-ULQDDVLXSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc2ccccc21 ZINC000420356310 393473561 /nfs/dbraw/zinc/47/35/61/393473561.db2.gz GBITXMBOUCJFLQ-INIZCTEOSA-N 2 1 256.393 3.303 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000420410177 393484483 /nfs/dbraw/zinc/48/44/83/393484483.db2.gz RDZIIHWGQVYWPW-XHDPSFHLSA-N 2 1 268.351 3.005 20 0 CGADMP CC[C@@H]1C[C@@H](CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCO1 ZINC000356986934 393505841 /nfs/dbraw/zinc/50/58/41/393505841.db2.gz ZZPCRWWXMDVGLW-XWTMOSNGSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000488452242 393519407 /nfs/dbraw/zinc/51/94/07/393519407.db2.gz UQZCIIAOXISDFU-HLPPOEQASA-N 2 1 278.465 3.377 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000488452242 393519409 /nfs/dbraw/zinc/51/94/09/393519409.db2.gz UQZCIIAOXISDFU-HLPPOEQASA-N 2 1 278.465 3.377 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000358250378 393522187 /nfs/dbraw/zinc/52/21/87/393522187.db2.gz PATYQPRJYZELIN-CSMYWGQOSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000358250378 393522194 /nfs/dbraw/zinc/52/21/94/393522194.db2.gz PATYQPRJYZELIN-CSMYWGQOSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430125662 393526798 /nfs/dbraw/zinc/52/67/98/393526798.db2.gz CLQMYPYAVVESJI-HKUYNNGSSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430125662 393526800 /nfs/dbraw/zinc/52/68/00/393526800.db2.gz CLQMYPYAVVESJI-HKUYNNGSSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430125662 393526802 /nfs/dbraw/zinc/52/68/02/393526802.db2.gz CLQMYPYAVVESJI-HKUYNNGSSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430543393 393573040 /nfs/dbraw/zinc/57/30/40/393573040.db2.gz RHYVCPRIOWFELP-DZKIICNBSA-N 2 1 299.418 3.462 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430543393 393573046 /nfs/dbraw/zinc/57/30/46/393573046.db2.gz RHYVCPRIOWFELP-DZKIICNBSA-N 2 1 299.418 3.462 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430581944 393578175 /nfs/dbraw/zinc/57/81/75/393578175.db2.gz VKVJDDPNSCIMFK-CQSZACIVSA-N 2 1 270.367 3.333 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430581944 393578180 /nfs/dbraw/zinc/57/81/80/393578180.db2.gz VKVJDDPNSCIMFK-CQSZACIVSA-N 2 1 270.367 3.333 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430579231 393578357 /nfs/dbraw/zinc/57/83/57/393578357.db2.gz YHQHKWVGCDAWRQ-KBPBESRZSA-N 2 1 296.842 3.168 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430600347 393580369 /nfs/dbraw/zinc/58/03/69/393580369.db2.gz HQQCNQXCBPUFTO-ZDUSSCGKSA-N 2 1 298.883 3.364 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430600347 393580375 /nfs/dbraw/zinc/58/03/75/393580375.db2.gz HQQCNQXCBPUFTO-ZDUSSCGKSA-N 2 1 298.883 3.364 20 0 CGADMP C[C@H]1C[C@H](CC[N@@H+](C)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000430635269 393582128 /nfs/dbraw/zinc/58/21/28/393582128.db2.gz GLDYPERSCWYQCZ-FICVDOATSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432409424 393610141 /nfs/dbraw/zinc/61/01/41/393610141.db2.gz YTMBJCHXXZSMMT-ULQDDVLXSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432409424 393610146 /nfs/dbraw/zinc/61/01/46/393610146.db2.gz YTMBJCHXXZSMMT-ULQDDVLXSA-N 2 1 284.488 3.292 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000360943239 393620972 /nfs/dbraw/zinc/62/09/72/393620972.db2.gz SLPUZJNAHNXGJG-NSHDSACASA-N 2 1 275.421 3.093 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421865707 393636874 /nfs/dbraw/zinc/63/68/74/393636874.db2.gz ZVJBESDCPQMYMN-RDJZCZTQSA-N 2 1 289.467 3.039 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421865707 393636877 /nfs/dbraw/zinc/63/68/77/393636877.db2.gz ZVJBESDCPQMYMN-RDJZCZTQSA-N 2 1 289.467 3.039 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC(C)=C(C)C1 ZINC000361107348 393673326 /nfs/dbraw/zinc/67/33/26/393673326.db2.gz ACRZOLSDXUFCDH-UHFFFAOYSA-N 2 1 282.391 3.118 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C3(C)CC3)CCCC2)CC1 ZINC000361214100 393702979 /nfs/dbraw/zinc/70/29/79/393702979.db2.gz CXQFDVBDXOSWRO-HNNXBMFYSA-N 2 1 294.483 3.188 20 0 CGADMP CCc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000443676838 393770500 /nfs/dbraw/zinc/77/05/00/393770500.db2.gz VPEWKMFDJKEEOZ-CVEARBPZSA-N 2 1 295.430 3.258 20 0 CGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)C12CCC2 ZINC000444598526 393790069 /nfs/dbraw/zinc/79/00/69/393790069.db2.gz QXMLYSLCNGOWDN-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC000446940263 393864164 /nfs/dbraw/zinc/86/41/64/393864164.db2.gz DSQWCRZUFVRKHA-FUHWJXTLSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000448073602 393868691 /nfs/dbraw/zinc/86/86/91/393868691.db2.gz DOCJSYXJGLEHRW-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCC[C@H](C)C1 ZINC000448073602 393868693 /nfs/dbraw/zinc/86/86/93/393868693.db2.gz DOCJSYXJGLEHRW-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000449100781 393875992 /nfs/dbraw/zinc/87/59/92/393875992.db2.gz SLUPPJMVTVEUTB-RVKKMQEKSA-N 2 1 290.451 3.182 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000502890110 393886837 /nfs/dbraw/zinc/88/68/37/393886837.db2.gz IJLWIAZDWNKKPM-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[C@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000502890110 393886843 /nfs/dbraw/zinc/88/68/43/393886843.db2.gz IJLWIAZDWNKKPM-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[C@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000502890110 393886845 /nfs/dbraw/zinc/88/68/45/393886845.db2.gz IJLWIAZDWNKKPM-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP CC(C)[NH+]1CCC(N(C)C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450339121 393994914 /nfs/dbraw/zinc/99/49/14/393994914.db2.gz NZOXXKMJHFGPGK-GOSISDBHSA-N 2 1 295.515 3.054 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453056002 394154490 /nfs/dbraw/zinc/15/44/90/394154490.db2.gz KGOVYPJXNWDAHR-KURKYZTESA-N 2 1 272.436 3.429 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453087303 394167135 /nfs/dbraw/zinc/16/71/35/394167135.db2.gz YVIKVNLAXDKESC-MRXNPFEDSA-N 2 1 277.456 3.113 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)[C@H]2CCC[C@@H]21 ZINC000453257048 394222587 /nfs/dbraw/zinc/22/25/87/394222587.db2.gz UPLGACCTGVFCJG-XGUBFFRZSA-N 2 1 286.410 3.274 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C2CCC2)CCC1 ZINC000453395460 394231464 /nfs/dbraw/zinc/23/14/64/394231464.db2.gz JUEHZLLZNJLTJJ-JKSUJKDBSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453408141 394236697 /nfs/dbraw/zinc/23/66/97/394236697.db2.gz SHNUOAIDQVEXNW-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2occc2c1)C1CC1 ZINC000453590821 394252146 /nfs/dbraw/zinc/25/21/46/394252146.db2.gz BQHMPFXQGNSTJG-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cnc(C(C)(C)C)s1)C1CC1 ZINC000453595019 394253703 /nfs/dbraw/zinc/25/37/03/394253703.db2.gz JQXJRXOUZFRNAH-UHFFFAOYSA-N 2 1 295.496 3.405 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000667773750 542927886 /nfs/dbraw/zinc/92/78/86/542927886.db2.gz QDJQXAFRHKAIIK-NZSAHSFTSA-N 2 1 284.447 3.213 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000667773750 542927890 /nfs/dbraw/zinc/92/78/90/542927890.db2.gz QDJQXAFRHKAIIK-NZSAHSFTSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@@H]1CC[C@@]2(CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000667964662 542950672 /nfs/dbraw/zinc/95/06/72/542950672.db2.gz NJAPCBQMGYNROQ-CRAIPNDOSA-N 2 1 296.418 3.279 20 0 CGADMP C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000667964662 542950676 /nfs/dbraw/zinc/95/06/76/542950676.db2.gz NJAPCBQMGYNROQ-CRAIPNDOSA-N 2 1 296.418 3.279 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000668159398 542977780 /nfs/dbraw/zinc/97/77/80/542977780.db2.gz VEMBRRKAJUDDDP-ZIAGYGMSSA-N 2 1 287.407 3.209 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000668159398 542977782 /nfs/dbraw/zinc/97/77/82/542977782.db2.gz VEMBRRKAJUDDDP-ZIAGYGMSSA-N 2 1 287.407 3.209 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)[nH]c2c1 ZINC000668188696 542984823 /nfs/dbraw/zinc/98/48/23/542984823.db2.gz LZRYDGSUWJZQPS-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)[nH]c2c1 ZINC000668188696 542984825 /nfs/dbraw/zinc/98/48/25/542984825.db2.gz LZRYDGSUWJZQPS-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)[nH]c2c1 ZINC000668188696 542984827 /nfs/dbraw/zinc/98/48/27/542984827.db2.gz LZRYDGSUWJZQPS-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)[nH]c2c1 ZINC000668188696 542984829 /nfs/dbraw/zinc/98/48/29/542984829.db2.gz LZRYDGSUWJZQPS-GOSISDBHSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C1CC1 ZINC000668512430 543021844 /nfs/dbraw/zinc/02/18/44/543021844.db2.gz MTDHLCUTVPRWIV-GJZGRUSLSA-N 2 1 271.408 3.306 20 0 CGADMP CC1=CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000668817824 543066081 /nfs/dbraw/zinc/06/60/81/543066081.db2.gz AIGPJZNOZTXNCT-IAGOWNOFSA-N 2 1 262.441 3.197 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000671752441 543186038 /nfs/dbraw/zinc/18/60/38/543186038.db2.gz YYGNFJPQMSVNJT-TTYHFUOFSA-N 2 1 298.474 3.254 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916270 397609889 /nfs/dbraw/zinc/60/98/89/397609889.db2.gz AQIVOTDAHBWTMS-MSOLQXFVSA-N 2 1 272.436 3.213 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062077898 397638420 /nfs/dbraw/zinc/63/84/20/397638420.db2.gz JLPZPZHVJOIILD-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000491065903 397708666 /nfs/dbraw/zinc/70/86/66/397708666.db2.gz MQSYFEISFYZLFK-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC000650707627 397898067 /nfs/dbraw/zinc/89/80/67/397898067.db2.gz JVPPEMHSTWSBAV-RCCFBDPRSA-N 2 1 294.483 3.175 20 0 CGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711554 397898987 /nfs/dbraw/zinc/89/89/87/397898987.db2.gz WYRWOPZYOOPRPO-KAFRUAOYSA-N 2 1 288.435 3.158 20 0 CGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCCC1 ZINC000674717180 543294716 /nfs/dbraw/zinc/29/47/16/543294716.db2.gz LPNXBOAAISIRAL-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240016 543441435 /nfs/dbraw/zinc/44/14/35/543441435.db2.gz CZQIODJPPJQDOT-NCOADZHNSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240781 543441609 /nfs/dbraw/zinc/44/16/09/543441609.db2.gz KMWDTIKCSDGTFH-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678425374 543524814 /nfs/dbraw/zinc/52/48/14/543524814.db2.gz ZMALZPIHCPFBEC-GXTWGEPZSA-N 2 1 286.423 3.190 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678765847 543554287 /nfs/dbraw/zinc/55/42/87/543554287.db2.gz HEHKFFOFUZYPEE-IIDMSEBBSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000678774686 543557044 /nfs/dbraw/zinc/55/70/44/543557044.db2.gz BXLOPERDOBPGOC-WSTZPKSXSA-N 2 1 298.474 3.497 20 0 CGADMP COCC1(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000361334000 292246376 /nfs/dbraw/zinc/24/63/76/292246376.db2.gz DCKPDPVMGNSBBK-JKSUJKDBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449094630 533676200 /nfs/dbraw/zinc/67/62/00/533676200.db2.gz SQDWKTYXLKSTQN-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449094630 533676188 /nfs/dbraw/zinc/67/61/88/533676188.db2.gz SQDWKTYXLKSTQN-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCCS2 ZINC000423282724 286424352 /nfs/dbraw/zinc/42/43/52/286424352.db2.gz WDCKPTFOOFCAQI-CABCVRRESA-N 2 1 294.464 3.195 20 0 CGADMP CC(C)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109799 287031998 /nfs/dbraw/zinc/03/19/98/287031998.db2.gz LTKHRHXHBZQCSJ-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109799 287031999 /nfs/dbraw/zinc/03/19/99/287031999.db2.gz LTKHRHXHBZQCSJ-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109799 287032000 /nfs/dbraw/zinc/03/20/00/287032000.db2.gz LTKHRHXHBZQCSJ-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000086255031 165182457 /nfs/dbraw/zinc/18/24/57/165182457.db2.gz WFMDPNHQWRLGKT-GDBMZVCRSA-N 2 1 289.448 3.249 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000086255031 165182463 /nfs/dbraw/zinc/18/24/63/165182463.db2.gz WFMDPNHQWRLGKT-GDBMZVCRSA-N 2 1 289.448 3.249 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000090076653 165225895 /nfs/dbraw/zinc/22/58/95/165225895.db2.gz RBLCVDIAQPJGGF-CPUCHLNUSA-N 2 1 286.419 3.294 20 0 CGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccccc23)CC[N@H+]1C ZINC000090795311 165243283 /nfs/dbraw/zinc/24/32/83/165243283.db2.gz RJRILGRNQPLCEA-QWHCGFSZSA-N 2 1 255.365 3.129 20 0 CGADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000091335640 287107641 /nfs/dbraw/zinc/10/76/41/287107641.db2.gz KKOTZLRUXFCBKD-YJBOKZPZSA-N 2 1 290.451 3.324 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)[nH]1 ZINC000093683866 165336750 /nfs/dbraw/zinc/33/67/50/165336750.db2.gz XRVCFBCSDHNBEX-MRXNPFEDSA-N 2 1 297.446 3.476 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000094522091 165353570 /nfs/dbraw/zinc/35/35/70/165353570.db2.gz RUQIJDSKUKPNFR-SUMWQHHRSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094522091 165353574 /nfs/dbraw/zinc/35/35/74/165353574.db2.gz RUQIJDSKUKPNFR-SUMWQHHRSA-N 2 1 258.409 3.266 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000093770491 287119383 /nfs/dbraw/zinc/11/93/83/287119383.db2.gz CSAXMXCFQNKQJL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000093770491 287119385 /nfs/dbraw/zinc/11/93/85/287119385.db2.gz CSAXMXCFQNKQJL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000093770491 287119387 /nfs/dbraw/zinc/11/93/87/287119387.db2.gz CSAXMXCFQNKQJL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000093770491 287119389 /nfs/dbraw/zinc/11/93/89/287119389.db2.gz CSAXMXCFQNKQJL-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000093942264 287120592 /nfs/dbraw/zinc/12/05/92/287120592.db2.gz USYCXNJYWIGCSA-DLTWYDFYSA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000116384241 287157310 /nfs/dbraw/zinc/15/73/10/287157310.db2.gz HOSGRABLWYVIMM-FGTMMUONSA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000116384241 287157311 /nfs/dbraw/zinc/15/73/11/287157311.db2.gz HOSGRABLWYVIMM-FGTMMUONSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC000120913066 287189620 /nfs/dbraw/zinc/18/96/20/287189620.db2.gz NHVBSUPUTNOZIL-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000123913474 287226950 /nfs/dbraw/zinc/22/69/50/287226950.db2.gz CZYYYBWVINPURQ-UHFFFAOYSA-N 2 1 272.436 3.417 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000019943270 170935230 /nfs/dbraw/zinc/93/52/30/170935230.db2.gz PGKHYYKIFIGWHT-AWEZNQCLSA-N 2 1 294.439 3.086 20 0 CGADMP c1c2ccccc2oc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020129174 171017594 /nfs/dbraw/zinc/01/75/94/171017594.db2.gz PIYCZDJJEYWHJQ-UHFFFAOYSA-N 2 1 258.365 3.008 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)c(C)o1 ZINC000020438922 171202821 /nfs/dbraw/zinc/20/28/21/171202821.db2.gz RSLIRKBPNUEPJR-ZDUSSCGKSA-N 2 1 250.386 3.033 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000020593549 171263052 /nfs/dbraw/zinc/26/30/52/171263052.db2.gz QYFSZKANRZJEQV-QGZVFWFLSA-N 2 1 258.409 3.213 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000126114347 287257652 /nfs/dbraw/zinc/25/76/52/287257652.db2.gz SXINJCKCTUDALT-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000126114347 287257654 /nfs/dbraw/zinc/25/76/54/287257654.db2.gz SXINJCKCTUDALT-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP CCc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285443809 196286129 /nfs/dbraw/zinc/28/61/29/196286129.db2.gz INRKPEOHZJPUJD-JWTNVVGKSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285443809 196286131 /nfs/dbraw/zinc/28/61/31/196286131.db2.gz INRKPEOHZJPUJD-JWTNVVGKSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285443809 196286133 /nfs/dbraw/zinc/28/61/33/196286133.db2.gz INRKPEOHZJPUJD-JWTNVVGKSA-N 2 1 272.436 3.306 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000127168528 287282447 /nfs/dbraw/zinc/28/24/47/287282447.db2.gz RCFFNYDOJQOVSC-CYBMUJFWSA-N 2 1 280.481 3.477 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127993049 287300744 /nfs/dbraw/zinc/30/07/44/287300744.db2.gz UZPQDRDHEVLTOQ-IAGOWNOFSA-N 2 1 272.436 3.181 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000128639732 287315285 /nfs/dbraw/zinc/31/52/85/287315285.db2.gz DFYAEHWOPJYFAI-HNNXBMFYSA-N 2 1 260.425 3.287 20 0 CGADMP CCSCC[C@@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000129123362 287324813 /nfs/dbraw/zinc/32/48/13/287324813.db2.gz QKIJODMQRUHWRF-CQSZACIVSA-N 2 1 283.485 3.435 20 0 CGADMP CCSCC[C@@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000129123362 287324815 /nfs/dbraw/zinc/32/48/15/287324815.db2.gz QKIJODMQRUHWRF-CQSZACIVSA-N 2 1 283.485 3.435 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402766180 416547848 /nfs/dbraw/zinc/54/78/48/416547848.db2.gz IBVGXHRTUIYRRM-ULQDDVLXSA-N 2 1 258.409 3.199 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2coc3ccccc23)[C@@H]1CC[NH3+] ZINC000404267812 416553095 /nfs/dbraw/zinc/55/30/95/416553095.db2.gz IPAYQLGLMGSFRW-CZUORRHYSA-N 2 1 272.392 3.382 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)[C@H]1CC[NH3+] ZINC000404426034 416554212 /nfs/dbraw/zinc/55/42/12/416554212.db2.gz LTNCBUUCHZBVBM-HOCLYGCPSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@H]1CC[NH3+] ZINC000404426034 416554215 /nfs/dbraw/zinc/55/42/15/416554215.db2.gz LTNCBUUCHZBVBM-HOCLYGCPSA-N 2 1 299.418 3.291 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000404452701 416555009 /nfs/dbraw/zinc/55/50/09/416555009.db2.gz ZORZNHMVFFPARH-SMDDNHRTSA-N 2 1 252.427 3.006 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)CC[N@H+]1C ZINC000179498060 224656063 /nfs/dbraw/zinc/65/60/63/224656063.db2.gz ZNTULWFSZDFMQP-JSGCOSHPSA-N 2 1 294.389 3.069 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000130569946 287358203 /nfs/dbraw/zinc/35/82/03/287358203.db2.gz GPILBEGPUOIWQP-RCCFBDPRSA-N 2 1 272.436 3.253 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000130565833 287358231 /nfs/dbraw/zinc/35/82/31/287358231.db2.gz MYZMTCYFGJCUMC-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000682074598 543822234 /nfs/dbraw/zinc/82/22/34/543822234.db2.gz QELBEPRLCHVQHT-APWZRJJASA-N 2 1 284.447 3.482 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076663 543823689 /nfs/dbraw/zinc/82/36/89/543823689.db2.gz VIYZYURWHQWUIO-YOEHRIQHSA-N 2 1 285.435 3.473 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076663 543823691 /nfs/dbraw/zinc/82/36/91/543823691.db2.gz VIYZYURWHQWUIO-YOEHRIQHSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076663 543823695 /nfs/dbraw/zinc/82/36/95/543823695.db2.gz VIYZYURWHQWUIO-YOEHRIQHSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076663 543823698 /nfs/dbraw/zinc/82/36/98/543823698.db2.gz VIYZYURWHQWUIO-YOEHRIQHSA-N 2 1 285.435 3.473 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000681668384 543800936 /nfs/dbraw/zinc/80/09/36/543800936.db2.gz BKPXCMSMBBFKPL-OAHLLOKOSA-N 2 1 290.451 3.399 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2[nH]ccc2c1 ZINC000682549179 543852014 /nfs/dbraw/zinc/85/20/14/543852014.db2.gz LNWOWBURSRBMKI-UHFFFAOYSA-N 2 1 285.435 3.476 20 0 CGADMP C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000683888806 543949590 /nfs/dbraw/zinc/94/95/90/543949590.db2.gz KXWGCBACJOVPFG-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000684373212 543988054 /nfs/dbraw/zinc/98/80/54/543988054.db2.gz SNQOBANLUQNZHP-VVLHAWIVSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000685476441 544080193 /nfs/dbraw/zinc/08/01/93/544080193.db2.gz QOPNOFXYZVPYGH-INIZCTEOSA-N 2 1 296.418 3.198 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000685662239 544093023 /nfs/dbraw/zinc/09/30/23/544093023.db2.gz WXZGXQQWBYJBDZ-CYGHRXIMSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000685662239 544093027 /nfs/dbraw/zinc/09/30/27/544093027.db2.gz WXZGXQQWBYJBDZ-CYGHRXIMSA-N 2 1 274.452 3.497 20 0 CGADMP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)CC1CCCCCC1)C1CC1 ZINC000685574781 544085593 /nfs/dbraw/zinc/08/55/93/544085593.db2.gz LROQCROYFIJRDZ-KRWDZBQOSA-N 2 1 296.499 3.170 20 0 CGADMP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)CC1CCCCCC1)C1CC1 ZINC000685574781 544085596 /nfs/dbraw/zinc/08/55/96/544085596.db2.gz LROQCROYFIJRDZ-KRWDZBQOSA-N 2 1 296.499 3.170 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCC23CCC3)([NH+](C)C)C1 ZINC000337404882 287429560 /nfs/dbraw/zinc/42/95/60/287429560.db2.gz RPZAIBPPEHAYGW-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000174379773 287489619 /nfs/dbraw/zinc/48/96/19/287489619.db2.gz KATOALFFQBPYNB-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3F)CCC2)CC[N@H+]1C ZINC000652220593 418937309 /nfs/dbraw/zinc/93/73/09/418937309.db2.gz DSNYADPYAABXAS-GJZGRUSLSA-N 2 1 290.426 3.320 20 0 CGADMP CC[N@@H+](CCCN[C@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237353 418940414 /nfs/dbraw/zinc/94/04/14/418940414.db2.gz NCTSZHPGSSAYFC-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CCCN[C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237353 418940417 /nfs/dbraw/zinc/94/04/17/418940417.db2.gz NCTSZHPGSSAYFC-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CCCN[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237353 418940419 /nfs/dbraw/zinc/94/04/19/418940419.db2.gz NCTSZHPGSSAYFC-SJORKVTESA-N 2 1 295.515 3.103 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000652240490 418940842 /nfs/dbraw/zinc/94/08/42/418940842.db2.gz CXYKFCJRXCTLGN-RHQZKXFESA-N 2 1 284.447 3.313 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349578 418956277 /nfs/dbraw/zinc/95/62/77/418956277.db2.gz SZFYMODUOIJMQU-XHSDSOJGSA-N 2 1 282.472 3.031 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCc1c(F)cccc1Cl)C2 ZINC000652352003 418956920 /nfs/dbraw/zinc/95/69/20/418956920.db2.gz UDQHWYITMGNHHC-LRDDRELGSA-N 2 1 296.817 3.082 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCc1c(F)cccc1Cl)C2 ZINC000652352003 418956924 /nfs/dbraw/zinc/95/69/24/418956924.db2.gz UDQHWYITMGNHHC-LRDDRELGSA-N 2 1 296.817 3.082 20 0 CGADMP c1ccc(CCC[C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000652343658 418957113 /nfs/dbraw/zinc/95/71/13/418957113.db2.gz CAPNYGAFPXGXIC-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(C)(C)C2CC2)C1 ZINC000653563058 419050017 /nfs/dbraw/zinc/05/00/17/419050017.db2.gz WSOKYVUFQLDSRK-MRXNPFEDSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653563058 419050023 /nfs/dbraw/zinc/05/00/23/419050023.db2.gz WSOKYVUFQLDSRK-MRXNPFEDSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653563058 419050028 /nfs/dbraw/zinc/05/00/28/419050028.db2.gz WSOKYVUFQLDSRK-MRXNPFEDSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000659924080 419033999 /nfs/dbraw/zinc/03/39/99/419033999.db2.gz BDWVPISYCAYNJR-CYBMUJFWSA-N 2 1 298.883 3.316 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000659924080 419034004 /nfs/dbraw/zinc/03/40/04/419034004.db2.gz BDWVPISYCAYNJR-CYBMUJFWSA-N 2 1 298.883 3.316 20 0 CGADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000659943357 419040019 /nfs/dbraw/zinc/04/00/19/419040019.db2.gz BLOCZPWNUBHBAY-ROUUACIJSA-N 2 1 294.483 3.142 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000653538251 419043544 /nfs/dbraw/zinc/04/35/44/419043544.db2.gz WZKVQPASNDLAID-SFHVURJKSA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000653538251 419043548 /nfs/dbraw/zinc/04/35/48/419043548.db2.gz WZKVQPASNDLAID-SFHVURJKSA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000653538251 419043552 /nfs/dbraw/zinc/04/35/52/419043552.db2.gz WZKVQPASNDLAID-SFHVURJKSA-N 2 1 297.446 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664820834 419010497 /nfs/dbraw/zinc/01/04/97/419010497.db2.gz BCJIWTZRCFVRIR-QGZVFWFLSA-N 2 1 298.434 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664820834 419010501 /nfs/dbraw/zinc/01/05/01/419010501.db2.gz BCJIWTZRCFVRIR-QGZVFWFLSA-N 2 1 298.434 3.450 20 0 CGADMP Cc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1C ZINC000665245825 419091200 /nfs/dbraw/zinc/09/12/00/419091200.db2.gz RZCOPZDOUJCRLS-CQSZACIVSA-N 2 1 269.392 3.004 20 0 CGADMP c1cc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccc2[nH]1 ZINC000655768341 419092069 /nfs/dbraw/zinc/09/20/69/419092069.db2.gz WCYYCWCHCIRWOQ-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000665252151 419094477 /nfs/dbraw/zinc/09/44/77/419094477.db2.gz IPBXUQPLYFCFAU-NCXUSEDFSA-N 2 1 284.447 3.300 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257557 419095345 /nfs/dbraw/zinc/09/53/45/419095345.db2.gz MXNYEWNJPNLIHX-BASLNEPJSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CCC(F)(F)CC1 ZINC000653872544 419099845 /nfs/dbraw/zinc/09/98/45/419099845.db2.gz ABXOXKSONXCDSM-LBPRGKRZSA-N 2 1 285.382 3.156 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000660204700 419099872 /nfs/dbraw/zinc/09/98/72/419099872.db2.gz NNKYSSNMKKUKQB-CKEIUWERSA-N 2 1 299.418 3.399 20 0 CGADMP COc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1C ZINC000665294022 419107312 /nfs/dbraw/zinc/10/73/12/419107312.db2.gz GYVPIYKNVSUKOP-IAGOWNOFSA-N 2 1 282.387 3.238 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000653608141 419058339 /nfs/dbraw/zinc/05/83/39/419058339.db2.gz GPCIGZUAMWVTTQ-DJIMGWMZSA-N 2 1 277.456 3.403 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000660010725 419063661 /nfs/dbraw/zinc/06/36/61/419063661.db2.gz LKGIPBLQKVBEOR-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000660010725 419063663 /nfs/dbraw/zinc/06/36/63/419063663.db2.gz LKGIPBLQKVBEOR-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000660010725 419063664 /nfs/dbraw/zinc/06/36/64/419063664.db2.gz LKGIPBLQKVBEOR-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CCC2)[C@@H](C)C1 ZINC000660083609 419073547 /nfs/dbraw/zinc/07/35/47/419073547.db2.gz VEMJKOKWKDUQQP-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2CCC2)[C@@H](C)C1 ZINC000660083609 419073549 /nfs/dbraw/zinc/07/35/49/419073549.db2.gz VEMJKOKWKDUQQP-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2CCC2)[C@@H](C)C1 ZINC000660083609 419073551 /nfs/dbraw/zinc/07/35/51/419073551.db2.gz VEMJKOKWKDUQQP-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655714866 419074183 /nfs/dbraw/zinc/07/41/83/419074183.db2.gz FSMPRBQNZZFGRN-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP CCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000655724523 419079442 /nfs/dbraw/zinc/07/94/42/419079442.db2.gz ZEGFZLBFUNZBTR-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CC1 ZINC000655941235 419129339 /nfs/dbraw/zinc/12/93/39/419129339.db2.gz OKCNYBPWXJCZOX-GOEBONIOSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2CC2CCCC2)CC[NH2+]C1 ZINC000656194950 419148759 /nfs/dbraw/zinc/14/87/59/419148759.db2.gz VIACUEICYZXSCG-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000660617308 419169505 /nfs/dbraw/zinc/16/95/05/419169505.db2.gz WZALVFFLUDLFHS-IEBWSBKVSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000660617308 419169508 /nfs/dbraw/zinc/16/95/08/419169508.db2.gz WZALVFFLUDLFHS-IEBWSBKVSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000660617308 419169512 /nfs/dbraw/zinc/16/95/12/419169512.db2.gz WZALVFFLUDLFHS-IEBWSBKVSA-N 2 1 284.447 3.134 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656493814 419178440 /nfs/dbraw/zinc/17/84/40/419178440.db2.gz ZXZALPRMDZRGRV-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)C1CC1 ZINC000666083551 419187828 /nfs/dbraw/zinc/18/78/28/419187828.db2.gz ODGBEAWXXMXRLS-RHSMWYFYSA-N 2 1 292.854 3.127 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC1(C)C ZINC000666090026 419188934 /nfs/dbraw/zinc/18/89/34/419188934.db2.gz HDQODRGWWGOFPF-ULQDDVLXSA-N 2 1 294.483 3.044 20 0 CGADMP Fc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000666118006 419191039 /nfs/dbraw/zinc/19/10/39/419191039.db2.gz YLXJBRASLIZVER-UHFFFAOYSA-N 2 1 288.410 3.421 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C3CCC3)CC2)CC[N@@H+]1C ZINC000657375446 419262939 /nfs/dbraw/zinc/26/29/39/419262939.db2.gz GJNPCQZPKBTOTD-LYAPFXNSSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C3CCC3)CC2)CC[N@H+]1C ZINC000657375446 419262942 /nfs/dbraw/zinc/26/29/42/419262942.db2.gz GJNPCQZPKBTOTD-LYAPFXNSSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000656691285 419202881 /nfs/dbraw/zinc/20/28/81/419202881.db2.gz PRJHFYJDHUDDPB-ZWKOTPCHSA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000656691285 419202884 /nfs/dbraw/zinc/20/28/84/419202884.db2.gz PRJHFYJDHUDDPB-ZWKOTPCHSA-N 2 1 292.467 3.065 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661507738 419267713 /nfs/dbraw/zinc/26/77/13/419267713.db2.gz BJFCJHWDPAWWRW-INIZCTEOSA-N 2 1 273.355 3.168 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661507738 419267715 /nfs/dbraw/zinc/26/77/15/419267715.db2.gz BJFCJHWDPAWWRW-INIZCTEOSA-N 2 1 273.355 3.168 20 0 CGADMP C(=C/C[N@H+]1C[C@@H]2CCCC[C@@H]21)\C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933329 419216166 /nfs/dbraw/zinc/21/61/66/419216166.db2.gz PBQIWQWFUCKPKV-MHQYQMNXSA-N 2 1 274.452 3.291 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656785211 419218232 /nfs/dbraw/zinc/21/82/32/419218232.db2.gz FSFXMCVDDBJBGP-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786991 419219682 /nfs/dbraw/zinc/21/96/82/419219682.db2.gz ZAYUSQNTQHLTLM-AMGQUURNSA-N 2 1 284.447 3.411 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000656786971 419220026 /nfs/dbraw/zinc/22/00/26/419220026.db2.gz YQCDJPGWNGSLOE-AWEZNQCLSA-N 2 1 294.389 3.176 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000656790849 419220310 /nfs/dbraw/zinc/22/03/10/419220310.db2.gz BPEKKDGHCWYQDN-CABCVRRESA-N 2 1 278.415 3.426 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CCCC1 ZINC000656788619 419220602 /nfs/dbraw/zinc/22/06/02/419220602.db2.gz VKTSOMQYICCXJC-UHFFFAOYSA-N 2 1 288.435 3.369 20 0 CGADMP Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1Cl ZINC000656789324 419220687 /nfs/dbraw/zinc/22/06/87/419220687.db2.gz MVHBIQFIAJIRNC-UHFFFAOYSA-N 2 1 252.789 3.010 20 0 CGADMP COc1ccccc1/C=C\CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525327 419297578 /nfs/dbraw/zinc/29/75/78/419297578.db2.gz RUXWFUIOSJBJME-DZFYGRHCSA-N 2 1 288.435 3.171 20 0 CGADMP COc1ccccc1/C=C\CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525327 419297581 /nfs/dbraw/zinc/29/75/81/419297581.db2.gz RUXWFUIOSJBJME-DZFYGRHCSA-N 2 1 288.435 3.171 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657548082 419301864 /nfs/dbraw/zinc/30/18/64/419301864.db2.gz RDDDWDXYJOLVOG-SQNIBIBYSA-N 2 1 290.426 3.363 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657714408 419331553 /nfs/dbraw/zinc/33/15/53/419331553.db2.gz XZFJCJFNTYFNKL-IAGOWNOFSA-N 2 1 281.403 3.183 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCCC1CCOCC1 ZINC000662179060 419350850 /nfs/dbraw/zinc/35/08/50/419350850.db2.gz GKBXZQYCJUXDCX-UHFFFAOYSA-N 2 1 284.488 3.293 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCCC1CCOCC1 ZINC000662179060 419350855 /nfs/dbraw/zinc/35/08/55/419350855.db2.gz GKBXZQYCJUXDCX-UHFFFAOYSA-N 2 1 284.488 3.293 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319708 419389201 /nfs/dbraw/zinc/38/92/01/419389201.db2.gz ATOGTHSVWNGZPI-SJORKVTESA-N 2 1 290.451 3.099 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319706 419389741 /nfs/dbraw/zinc/38/97/41/419389741.db2.gz ATOGTHSVWNGZPI-IRXDYDNUSA-N 2 1 290.451 3.099 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCc2ccccc21 ZINC000662323838 419393704 /nfs/dbraw/zinc/39/37/04/419393704.db2.gz RXNHMXZHHFLABT-NVXWUHKLSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)(C)c1cccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)c1 ZINC000662247387 419372623 /nfs/dbraw/zinc/37/26/23/419372623.db2.gz GDHWBRHYNMDLJA-KRWDZBQOSA-N 2 1 260.425 3.201 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC000662246433 419373411 /nfs/dbraw/zinc/37/34/11/419373411.db2.gz XDDGFKDZABMSKP-UHFFFAOYSA-N 2 1 260.425 3.168 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CCCCC1 ZINC000662265535 419374857 /nfs/dbraw/zinc/37/48/57/419374857.db2.gz QRSDKRSQIAOTNP-KZNAEPCWSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000662266996 419374983 /nfs/dbraw/zinc/37/49/83/419374983.db2.gz PJZWYZCEWKWHHO-OLZOCXBDSA-N 2 1 262.388 3.132 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662270971 419378104 /nfs/dbraw/zinc/37/81/04/419378104.db2.gz CUCIMUGEJLBFAR-CYBMUJFWSA-N 2 1 298.883 3.493 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+]1CCCC1 ZINC000657834294 419378614 /nfs/dbraw/zinc/37/86/14/419378614.db2.gz RHRAUPWDCQMHAU-OLZOCXBDSA-N 2 1 276.415 3.376 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCCSCC1)[NH+](C)C ZINC000657835553 419379916 /nfs/dbraw/zinc/37/99/16/419379916.db2.gz YABRARYEDZVKEO-CABCVRRESA-N 2 1 272.502 3.228 20 0 CGADMP CC1(C)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000657839724 419380769 /nfs/dbraw/zinc/38/07/69/419380769.db2.gz DYWLWXJNQMVYNI-ARKGTOAJSA-N 2 1 262.441 3.028 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000657839726 419381189 /nfs/dbraw/zinc/38/11/89/419381189.db2.gz DYWLWXJNQMVYNI-DGADGQDISA-N 2 1 262.441 3.028 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662275217 419382107 /nfs/dbraw/zinc/38/21/07/419382107.db2.gz VZCWRRPGJKTCPM-QYZOEREBSA-N 2 1 298.474 3.428 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCSc1cccc(Cl)c1 ZINC000662275517 419382150 /nfs/dbraw/zinc/38/21/50/419382150.db2.gz BRJHTCNAKYEVBV-CYBMUJFWSA-N 2 1 286.872 3.395 20 0 CGADMP CCOC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000657845589 419386389 /nfs/dbraw/zinc/38/63/89/419386389.db2.gz SDDMDKGOEASULK-FCCDEINASA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1CCCN(c2cc[nH+]c3ccsc32)[C@H]1CC[NH3+] ZINC000663243058 419530396 /nfs/dbraw/zinc/53/03/96/419530396.db2.gz VMVUTMHUACNGCE-YPMHNXCESA-N 2 1 275.421 3.250 20 0 CGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663347486 419567012 /nfs/dbraw/zinc/56/70/12/419567012.db2.gz MANWOZOVIKHFLV-CQSZACIVSA-N 2 1 294.389 3.176 20 0 CGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000663347486 419567017 /nfs/dbraw/zinc/56/70/17/419567017.db2.gz MANWOZOVIKHFLV-CQSZACIVSA-N 2 1 294.389 3.176 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000663498922 419635002 /nfs/dbraw/zinc/63/50/02/419635002.db2.gz UKTVGRJAAPPVQF-CYBMUJFWSA-N 2 1 292.320 3.308 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccoc1 ZINC000663467714 419620493 /nfs/dbraw/zinc/62/04/93/419620493.db2.gz HKKHRNKJANECDE-ZFWWWQNUSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccoc1 ZINC000663467714 419620504 /nfs/dbraw/zinc/62/05/04/419620504.db2.gz HKKHRNKJANECDE-ZFWWWQNUSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466796 419621756 /nfs/dbraw/zinc/62/17/56/419621756.db2.gz AFWJYQKMYLASEY-ZBFHGGJFSA-N 2 1 292.492 3.391 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663470307 419624363 /nfs/dbraw/zinc/62/43/63/419624363.db2.gz UTHOIUYDMHFFAF-HOCLYGCPSA-N 2 1 276.424 3.361 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663470307 419624376 /nfs/dbraw/zinc/62/43/76/419624376.db2.gz UTHOIUYDMHFFAF-HOCLYGCPSA-N 2 1 276.424 3.361 20 0 CGADMP CCC(CC)(CC)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000391161639 262384147 /nfs/dbraw/zinc/38/41/47/262384147.db2.gz NNOLNGVBSFENIO-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535097 270036445 /nfs/dbraw/zinc/03/64/45/270036445.db2.gz BBADGCCTJQPTSQ-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533760 270036527 /nfs/dbraw/zinc/03/65/27/270036527.db2.gz XVYCUXYWEMFAND-OLZOCXBDSA-N 2 1 298.377 3.280 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534855 270036546 /nfs/dbraw/zinc/03/65/46/270036546.db2.gz UCLRVEMIQPUHJP-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533854 270036592 /nfs/dbraw/zinc/03/65/92/270036592.db2.gz VCBDPTKIFXLABH-STQMWFEESA-N 2 1 298.377 3.280 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533758 270036619 /nfs/dbraw/zinc/03/66/19/270036619.db2.gz XVYCUXYWEMFAND-STQMWFEESA-N 2 1 298.377 3.280 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000044534547 270036789 /nfs/dbraw/zinc/03/67/89/270036789.db2.gz ARLLDTDNEKWUOM-RDJZCZTQSA-N 2 1 260.425 3.378 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000217647892 270085365 /nfs/dbraw/zinc/08/53/65/270085365.db2.gz FKAPZDCEPFCHJE-FJBKBRRZSA-N 2 1 250.430 3.172 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000217647892 270085366 /nfs/dbraw/zinc/08/53/66/270085366.db2.gz FKAPZDCEPFCHJE-FJBKBRRZSA-N 2 1 250.430 3.172 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000227375146 270087137 /nfs/dbraw/zinc/08/71/37/270087137.db2.gz ZPIUUHBMDRVFMH-RDJZCZTQSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)C(C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C(C)C ZINC000519562964 270097501 /nfs/dbraw/zinc/09/75/01/270097501.db2.gz FMOKNNNAWJRQJD-WBVHZDCISA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C(C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C(C)C ZINC000519562964 270097502 /nfs/dbraw/zinc/09/75/02/270097502.db2.gz FMOKNNNAWJRQJD-WBVHZDCISA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C(C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C(C)C ZINC000519562964 270097503 /nfs/dbraw/zinc/09/75/03/270097503.db2.gz FMOKNNNAWJRQJD-WBVHZDCISA-N 2 1 266.473 3.331 20 0 CGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC000524753881 270114575 /nfs/dbraw/zinc/11/45/75/270114575.db2.gz DRUOZAWVOPOTRJ-UHFFFAOYSA-N 2 1 293.455 3.181 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC000524753881 270114576 /nfs/dbraw/zinc/11/45/76/270114576.db2.gz DRUOZAWVOPOTRJ-UHFFFAOYSA-N 2 1 293.455 3.181 20 0 CGADMP CC[C@@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000527115798 270125877 /nfs/dbraw/zinc/12/58/77/270125877.db2.gz KVDFMWAMBHTAJD-YOEHRIQHSA-N 2 1 278.415 3.393 20 0 CGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCC2)nc1 ZINC000527771567 270135117 /nfs/dbraw/zinc/13/51/17/270135117.db2.gz KDMMTXOWVJKROV-SOLBZPMBSA-N 2 1 285.435 3.139 20 0 CGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)nc1 ZINC000527771567 270135118 /nfs/dbraw/zinc/13/51/18/270135118.db2.gz KDMMTXOWVJKROV-SOLBZPMBSA-N 2 1 285.435 3.139 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@@H]1CC12CC2 ZINC000527841941 270138987 /nfs/dbraw/zinc/13/89/87/270138987.db2.gz HFTUUGKVPVDYME-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+](C)CCC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527845805 270139127 /nfs/dbraw/zinc/13/91/27/270139127.db2.gz WUZYEZHTJXNMQH-AWEZNQCLSA-N 2 1 270.779 3.008 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC12CC2 ZINC000527848412 270139374 /nfs/dbraw/zinc/13/93/74/270139374.db2.gz OOJQJPVVLNDXHI-MAUKXSAKSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CC12CC2 ZINC000527848412 270139375 /nfs/dbraw/zinc/13/93/75/270139375.db2.gz OOJQJPVVLNDXHI-MAUKXSAKSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)C[NH+](C)C ZINC000527899842 270142889 /nfs/dbraw/zinc/14/28/89/270142889.db2.gz FZUYPBDWRKJIGD-MEBBXXQBSA-N 2 1 284.806 3.254 20 0 CGADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530354797 270199414 /nfs/dbraw/zinc/19/94/14/270199414.db2.gz CGVGETJDYYXURA-MSOLQXFVSA-N 2 1 283.419 3.197 20 0 CGADMP C[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000420322240 274236457 /nfs/dbraw/zinc/23/64/57/274236457.db2.gz SGLKPQBPMIOHOO-CQSZACIVSA-N 2 1 254.377 3.133 20 0 CGADMP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000420322240 274236461 /nfs/dbraw/zinc/23/64/61/274236461.db2.gz SGLKPQBPMIOHOO-CQSZACIVSA-N 2 1 254.377 3.133 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423449498 274237403 /nfs/dbraw/zinc/23/74/03/274237403.db2.gz RRQBZENIXHYSBA-PRFIWBCESA-N 2 1 297.240 3.323 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000343122261 274394672 /nfs/dbraw/zinc/39/46/72/274394672.db2.gz TYLJAJIUTDVUBZ-WPGHFRTFSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000343122261 274394673 /nfs/dbraw/zinc/39/46/73/274394673.db2.gz TYLJAJIUTDVUBZ-WPGHFRTFSA-N 2 1 278.827 3.400 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000151113358 276014172 /nfs/dbraw/zinc/01/41/72/276014172.db2.gz YLOKERBQQGDDAB-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000151113358 276014173 /nfs/dbraw/zinc/01/41/73/276014173.db2.gz YLOKERBQQGDDAB-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000020133448 276151305 /nfs/dbraw/zinc/15/13/05/276151305.db2.gz SERDSLILMLCPNW-QGZVFWFLSA-N 2 1 258.409 3.138 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000271706323 276151629 /nfs/dbraw/zinc/15/16/29/276151629.db2.gz NMSHYAARQVGOAQ-SUMWQHHRSA-N 2 1 258.409 3.309 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414822421 276266990 /nfs/dbraw/zinc/26/69/90/276266990.db2.gz GSVNQYJYBJLZMC-ROUUACIJSA-N 2 1 290.451 3.309 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1OC ZINC000424380337 276439047 /nfs/dbraw/zinc/43/90/47/276439047.db2.gz WVPMLPTYXVTUMG-RBSFLKMASA-N 2 1 262.397 3.006 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(F)(F)F)C1 ZINC000355896754 277046214 /nfs/dbraw/zinc/04/62/14/277046214.db2.gz QCXJNJRJFRITPY-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(F)(F)F)C1 ZINC000355896754 277046215 /nfs/dbraw/zinc/04/62/15/277046215.db2.gz QCXJNJRJFRITPY-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000355896754 277046216 /nfs/dbraw/zinc/04/62/16/277046216.db2.gz QCXJNJRJFRITPY-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000355896754 277046217 /nfs/dbraw/zinc/04/62/17/277046217.db2.gz QCXJNJRJFRITPY-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000248175021 277069741 /nfs/dbraw/zinc/06/97/41/277069741.db2.gz VLLAHMGASOPADK-JLSDUUJJSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000248175021 277069743 /nfs/dbraw/zinc/06/97/43/277069743.db2.gz VLLAHMGASOPADK-JLSDUUJJSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000248175021 277069744 /nfs/dbraw/zinc/06/97/44/277069744.db2.gz VLLAHMGASOPADK-JLSDUUJJSA-N 2 1 288.410 3.229 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@H](C)C3)CCCC2)CC1 ZINC000344522935 277194396 /nfs/dbraw/zinc/19/43/96/277194396.db2.gz LIUVVHUDFFGRKC-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)SCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000376764069 277222712 /nfs/dbraw/zinc/22/27/12/277222712.db2.gz JTIPXODIUAMKFJ-HNNXBMFYSA-N 2 1 284.513 3.468 20 0 CGADMP COC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000422958196 277262822 /nfs/dbraw/zinc/26/28/22/277262822.db2.gz XARUYDOICAPMJM-JQHSSLGASA-N 2 1 290.451 3.275 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000423275169 277274621 /nfs/dbraw/zinc/27/46/21/277274621.db2.gz MRKBOEGKGLHAPV-OAHLLOKOSA-N 2 1 268.404 3.221 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334998174 277275656 /nfs/dbraw/zinc/27/56/56/277275656.db2.gz LNCUGUQCSVCCER-LRDDRELGSA-N 2 1 278.827 3.259 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334998174 277275657 /nfs/dbraw/zinc/27/56/57/277275657.db2.gz LNCUGUQCSVCCER-LRDDRELGSA-N 2 1 278.827 3.259 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000040592170 277283478 /nfs/dbraw/zinc/28/34/78/277283478.db2.gz GCZDCZMCKCUNQN-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000040592170 277283479 /nfs/dbraw/zinc/28/34/79/277283479.db2.gz GCZDCZMCKCUNQN-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415064703 277341299 /nfs/dbraw/zinc/34/12/99/277341299.db2.gz LECBWZKKTDITKV-BCLQGDPASA-N 2 1 252.446 3.308 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090714606 277341579 /nfs/dbraw/zinc/34/15/79/277341579.db2.gz QUXNJLCNBOSJNN-SJJHQCBESA-N 2 1 264.457 3.418 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394536414 288002510 /nfs/dbraw/zinc/00/25/10/288002510.db2.gz OTNDMKCJPJYAGN-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC[NH2+]1 ZINC000414754444 278011582 /nfs/dbraw/zinc/01/15/82/278011582.db2.gz FZZOQRNDESBCBU-JHJVBQTASA-N 2 1 292.389 3.285 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423318330 278058030 /nfs/dbraw/zinc/05/80/30/278058030.db2.gz KVRZWMBZIVWVSU-IRXDYDNUSA-N 2 1 288.435 3.351 20 0 CGADMP CSC1(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000356177205 278125325 /nfs/dbraw/zinc/12/53/25/278125325.db2.gz PQZXDFVIRCTLEL-GASCZTMLSA-N 2 1 284.513 3.230 20 0 CGADMP CSc1ccc(OCC[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430563324 278174260 /nfs/dbraw/zinc/17/42/60/278174260.db2.gz VPWXOPCPVMKPMK-INIZCTEOSA-N 2 1 296.480 3.093 20 0 CGADMP CC1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090714593 278200926 /nfs/dbraw/zinc/20/09/26/278200926.db2.gz VWHUUTYKRHFOGL-HUUCEWRRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1C[NH3+] ZINC000397274613 288022544 /nfs/dbraw/zinc/02/25/44/288022544.db2.gz PCZDZTMKMOJEAO-LALPHHSUSA-N 2 1 282.378 3.429 20 0 CGADMP C[C@H]1CCC[C@](C[NH2+]C2CC3(CCC3)C2)([NH+](C)C)C1 ZINC000448057141 278355068 /nfs/dbraw/zinc/35/50/68/278355068.db2.gz VQNIEVBJPNCIAA-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000423515849 288084578 /nfs/dbraw/zinc/08/45/78/288084578.db2.gz XMHWMHGWQBXPMR-UONOGXRCSA-N 2 1 252.427 3.306 20 0 CGADMP CCC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000414876892 278927140 /nfs/dbraw/zinc/92/71/40/278927140.db2.gz FFXYAPFEHZYIFK-JCGIZDLHSA-N 2 1 290.451 3.167 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000459404061 288089916 /nfs/dbraw/zinc/08/99/16/288089916.db2.gz CKFCMCHYFDBPSQ-IJEWVQPXSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000423258501 279079271 /nfs/dbraw/zinc/07/92/71/279079271.db2.gz BPBNFNZCPOPMJC-RISCZKNCSA-N 2 1 281.469 3.318 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410378000 279095690 /nfs/dbraw/zinc/09/56/90/279095690.db2.gz JSFFHZUPXAQGRT-HOTGVXAUSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000507524706 279097571 /nfs/dbraw/zinc/09/75/71/279097571.db2.gz JSWFPWAKWBRCDX-GJZGRUSLSA-N 2 1 252.446 3.299 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000174216101 279124913 /nfs/dbraw/zinc/12/49/13/279124913.db2.gz KZCUFRBWAXVXKY-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000355293237 279160646 /nfs/dbraw/zinc/16/06/46/279160646.db2.gz QRATYNSEFYDEQH-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CCC2 ZINC000490227003 288117549 /nfs/dbraw/zinc/11/75/49/288117549.db2.gz JYNQIIKUJIKFHL-WBAXXEDZSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CCC2 ZINC000490227003 288117551 /nfs/dbraw/zinc/11/75/51/288117551.db2.gz JYNQIIKUJIKFHL-WBAXXEDZSA-N 2 1 272.436 3.302 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H]1CC=CCC1 ZINC000516745878 288129560 /nfs/dbraw/zinc/12/95/60/288129560.db2.gz WFGPCAGQJSXADY-YYIAUSFCSA-N 2 1 264.457 3.299 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H]1CC=CCC1 ZINC000516745878 288129562 /nfs/dbraw/zinc/12/95/62/288129562.db2.gz WFGPCAGQJSXADY-YYIAUSFCSA-N 2 1 264.457 3.299 20 0 CGADMP CCCCC[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000521894019 288142433 /nfs/dbraw/zinc/14/24/33/288142433.db2.gz FVOJJZGUNXHSIA-HNNXBMFYSA-N 2 1 263.429 3.397 20 0 CGADMP CCCCC[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000521894019 288142434 /nfs/dbraw/zinc/14/24/34/288142434.db2.gz FVOJJZGUNXHSIA-HNNXBMFYSA-N 2 1 263.429 3.397 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000527229391 288158119 /nfs/dbraw/zinc/15/81/19/288158119.db2.gz PNGFTOXGIAHBHH-CQSZACIVSA-N 2 1 282.378 3.446 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1F ZINC000423377887 279912661 /nfs/dbraw/zinc/91/26/61/279912661.db2.gz KQDXOHNAWRVKCN-AXAPSJFSSA-N 2 1 282.378 3.392 20 0 CGADMP CC[N@H+]1CC[C@@H](CNCc2ccsc2C(F)(F)F)C1 ZINC000527642194 288180155 /nfs/dbraw/zinc/18/01/55/288180155.db2.gz XVTYVQNZLLBMAR-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527642194 288180156 /nfs/dbraw/zinc/18/01/56/288180156.db2.gz XVTYVQNZLLBMAR-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527642194 288180158 /nfs/dbraw/zinc/18/01/58/288180158.db2.gz XVTYVQNZLLBMAR-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217989 280013299 /nfs/dbraw/zinc/01/32/99/280013299.db2.gz TXTVBBQPCVDNQM-XGWLTEMNSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217989 280013302 /nfs/dbraw/zinc/01/33/02/280013302.db2.gz TXTVBBQPCVDNQM-XGWLTEMNSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000334555649 280019232 /nfs/dbraw/zinc/01/92/32/280019232.db2.gz QKBKONSCLACLHL-ZFWWWQNUSA-N 2 1 273.424 3.055 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444595383 280125753 /nfs/dbraw/zinc/12/57/53/280125753.db2.gz JECDLKYSYYCZIL-INIZCTEOSA-N 2 1 272.436 3.482 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444595383 280125754 /nfs/dbraw/zinc/12/57/54/280125754.db2.gz JECDLKYSYYCZIL-INIZCTEOSA-N 2 1 272.436 3.482 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000437108074 280229931 /nfs/dbraw/zinc/22/99/31/280229931.db2.gz MCKMMBZYEQVBNU-AGIUHOORSA-N 2 1 278.362 3.180 20 0 CGADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000037213629 280273848 /nfs/dbraw/zinc/27/38/48/280273848.db2.gz ZDYXJBAWGAVYOG-CYBMUJFWSA-N 2 1 260.381 3.344 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CCCC2)o1 ZINC000423264160 280949859 /nfs/dbraw/zinc/94/98/59/280949859.db2.gz BPCOJSIYXIXOHD-ZBFHGGJFSA-N 2 1 264.413 3.392 20 0 CGADMP CC[C@H]1CCC[C@H](C[NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000344345532 281085822 /nfs/dbraw/zinc/08/58/22/281085822.db2.gz FAQPWTAPRYVHNP-HOCLYGCPSA-N 2 1 250.430 3.054 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H](C)C2 ZINC000272587522 281117018 /nfs/dbraw/zinc/11/70/18/281117018.db2.gz HKSPYOXXRYIBJL-RDTXWAMCSA-N 2 1 270.420 3.080 20 0 CGADMP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)CC2(CCCC2)O1 ZINC000190980293 281236235 /nfs/dbraw/zinc/23/62/35/281236235.db2.gz SXDDUNMBSAEYEV-UHFFFAOYSA-N 2 1 294.483 3.286 20 0 CGADMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)CC2(CCCC2)O1 ZINC000190980293 281236236 /nfs/dbraw/zinc/23/62/36/281236236.db2.gz SXDDUNMBSAEYEV-UHFFFAOYSA-N 2 1 294.483 3.286 20 0 CGADMP CC[C@H]1C[C@H](C[N@@H+](CCC[NH3+])CC2CCCC2)CCO1 ZINC000352525761 281236301 /nfs/dbraw/zinc/23/63/01/281236301.db2.gz HYIYGWLXMWDZPI-SJORKVTESA-N 2 1 282.472 3.033 20 0 CGADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000420371051 281241319 /nfs/dbraw/zinc/24/13/19/281241319.db2.gz KBGKXXBXUIXWLO-QWHCGFSZSA-N 2 1 292.389 3.287 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166329902 281273660 /nfs/dbraw/zinc/27/36/60/281273660.db2.gz WZWPTLYLBAAQMA-JKIFEVAISA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166329902 281273661 /nfs/dbraw/zinc/27/36/61/281273661.db2.gz WZWPTLYLBAAQMA-JKIFEVAISA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccccc1[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000271323415 281392713 /nfs/dbraw/zinc/39/27/13/281392713.db2.gz UEIWXTNLEFFOEM-DLBZAZTESA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000271323415 281392714 /nfs/dbraw/zinc/39/27/14/281392714.db2.gz UEIWXTNLEFFOEM-DLBZAZTESA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000271323415 281392715 /nfs/dbraw/zinc/39/27/15/281392715.db2.gz UEIWXTNLEFFOEM-DLBZAZTESA-N 2 1 272.436 3.269 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000531994151 288348807 /nfs/dbraw/zinc/34/88/07/288348807.db2.gz SFTVFZNKYJIVMN-JZAWBGDQSA-N 2 1 296.499 3.289 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000532474978 288363535 /nfs/dbraw/zinc/36/35/35/288363535.db2.gz JNIJAUBXWJEHSZ-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000548787028 289022471 /nfs/dbraw/zinc/02/24/71/289022471.db2.gz FCACMPLTTUQMOX-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000548787028 289022472 /nfs/dbraw/zinc/02/24/72/289022472.db2.gz FCACMPLTTUQMOX-UHFFFAOYSA-N 2 1 291.826 3.272 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000548794079 289023522 /nfs/dbraw/zinc/02/35/22/289023522.db2.gz VJSSRURLAWAEOA-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000548794079 289023523 /nfs/dbraw/zinc/02/35/23/289023523.db2.gz VJSSRURLAWAEOA-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550619059 289079182 /nfs/dbraw/zinc/07/91/82/289079182.db2.gz JZECHRISUPETOI-MWQQHZPXSA-N 2 1 258.409 3.068 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550619059 289079183 /nfs/dbraw/zinc/07/91/83/289079183.db2.gz JZECHRISUPETOI-MWQQHZPXSA-N 2 1 258.409 3.068 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000551132176 289099681 /nfs/dbraw/zinc/09/96/81/289099681.db2.gz DDXDDLQWEMFYNC-DLBZAZTESA-N 2 1 270.420 3.354 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000551132176 289099682 /nfs/dbraw/zinc/09/96/82/289099682.db2.gz DDXDDLQWEMFYNC-DLBZAZTESA-N 2 1 270.420 3.354 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCCC2)[C@H]2CCC[C@H]21 ZINC000552275125 289177002 /nfs/dbraw/zinc/17/70/02/289177002.db2.gz LVZKRBGXSBUFGX-OWCLPIDISA-N 2 1 264.457 3.419 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554361899 289275483 /nfs/dbraw/zinc/27/54/83/289275483.db2.gz KBZWQASYRZTAHO-IXDOHACOSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CC(C(C)C)C(C)C ZINC000556388095 289389367 /nfs/dbraw/zinc/38/93/67/289389367.db2.gz SEXKBWZHCUWQCU-UHFFFAOYSA-N 2 1 265.445 3.490 20 0 CGADMP Cc1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000556582487 289397742 /nfs/dbraw/zinc/39/77/42/289397742.db2.gz AIKZOULWASCLQV-VQIMIIECSA-N 2 1 286.463 3.248 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCO[C@@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424287045 290363809 /nfs/dbraw/zinc/36/38/09/290363809.db2.gz IGEJMLSTSDWJQN-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccccc1C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414669465 295361424 /nfs/dbraw/zinc/36/14/24/295361424.db2.gz BKQUBVFWTPSKPB-HUUCEWRRSA-N 2 1 288.435 3.048 20 0 CGADMP COc1ccccc1C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414669462 295361535 /nfs/dbraw/zinc/36/15/35/295361535.db2.gz BKQUBVFWTPSKPB-CABCVRRESA-N 2 1 288.435 3.048 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414701431 295388579 /nfs/dbraw/zinc/38/85/79/295388579.db2.gz WGPVTKBZRAAKED-ZOBUZTSGSA-N 2 1 288.435 3.220 20 0 CGADMP FC(F)(F)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CCC2 ZINC000261630886 303117841 /nfs/dbraw/zinc/11/78/41/303117841.db2.gz CMKGCAOCRZCWEZ-STQMWFEESA-N 2 1 290.373 3.041 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000420396613 303126175 /nfs/dbraw/zinc/12/61/75/303126175.db2.gz LZKDDFQKURUONY-SOUVJXGZSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000582725752 329131420 /nfs/dbraw/zinc/13/14/20/329131420.db2.gz ZRECUVWVBNIZGS-ZJUUUORDSA-N 2 1 281.450 3.087 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000563486185 322000484 /nfs/dbraw/zinc/00/04/84/322000484.db2.gz WNVFEULTQDMYIY-MGPQQGTHSA-N 2 1 261.413 3.216 20 0 CGADMP Cc1ccncc1CCC[N@H+](C)Cc1cccc(O)c1 ZINC000564295227 322025201 /nfs/dbraw/zinc/02/52/01/322025201.db2.gz ZAINXALXRHVIDL-UHFFFAOYSA-N 2 1 270.376 3.160 20 0 CGADMP COCC[NH+]1CCC(Nc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000564323092 322026729 /nfs/dbraw/zinc/02/67/29/322026729.db2.gz HDSOVVSANZBSTQ-UHFFFAOYSA-N 2 1 299.418 3.066 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000564844136 322045849 /nfs/dbraw/zinc/04/58/49/322045849.db2.gz IVWUOWACWNJDDZ-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000565157254 322062920 /nfs/dbraw/zinc/06/29/20/322062920.db2.gz NDUGPXLRUNBWJA-QFBILLFUSA-N 2 1 297.446 3.478 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000565157254 322062922 /nfs/dbraw/zinc/06/29/22/322062922.db2.gz NDUGPXLRUNBWJA-QFBILLFUSA-N 2 1 297.446 3.478 20 0 CGADMP Clc1ccc(-c2ccc(C[NH2+]C3CC[NH2+]CC3)o2)cc1 ZINC000567220603 322154781 /nfs/dbraw/zinc/15/47/81/322154781.db2.gz BZPCZEAYYOBWRZ-UHFFFAOYSA-N 2 1 290.794 3.442 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000568162386 322195246 /nfs/dbraw/zinc/19/52/46/322195246.db2.gz WENDCZNJQNWPGQ-JQWIXIFHSA-N 2 1 293.461 3.183 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000568162386 322195248 /nfs/dbraw/zinc/19/52/48/322195248.db2.gz WENDCZNJQNWPGQ-JQWIXIFHSA-N 2 1 293.461 3.183 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000568162387 322195670 /nfs/dbraw/zinc/19/56/70/322195670.db2.gz WENDCZNJQNWPGQ-PWSUYJOCSA-N 2 1 293.461 3.183 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000568162387 322195671 /nfs/dbraw/zinc/19/56/71/322195671.db2.gz WENDCZNJQNWPGQ-PWSUYJOCSA-N 2 1 293.461 3.183 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCCC12CC2)C1CCCCC1 ZINC000568274482 322202782 /nfs/dbraw/zinc/20/27/82/322202782.db2.gz BIAODUDPZQLRPK-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCCC12CC2)C1CCCCC1 ZINC000568274482 322202784 /nfs/dbraw/zinc/20/27/84/322202784.db2.gz BIAODUDPZQLRPK-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000568483373 322211084 /nfs/dbraw/zinc/21/10/84/322211084.db2.gz DIRYVBXBOROAMF-IPJUCJBFSA-N 2 1 286.463 3.427 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000569413644 322246604 /nfs/dbraw/zinc/24/66/04/322246604.db2.gz PFHJASKONNSTGF-HUUCEWRRSA-N 2 1 266.429 3.311 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000569413644 322246605 /nfs/dbraw/zinc/24/66/05/322246605.db2.gz PFHJASKONNSTGF-HUUCEWRRSA-N 2 1 266.429 3.311 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000569486208 322248715 /nfs/dbraw/zinc/24/87/15/322248715.db2.gz RMMOFZHRHXZTTQ-QGZVFWFLSA-N 2 1 260.425 3.207 20 0 CGADMP COc1cccc2c(C[NH2+]CCC[NH+]3CCC3)cccc12 ZINC000570343154 322271404 /nfs/dbraw/zinc/27/14/04/322271404.db2.gz HWGMAUVBRHUPJB-UHFFFAOYSA-N 2 1 284.403 3.034 20 0 CGADMP C(C[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000570403187 322272896 /nfs/dbraw/zinc/27/28/96/322272896.db2.gz OZPYUQHGRMKGRP-IAGOWNOFSA-N 2 1 264.457 3.421 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccsc1 ZINC000571687218 322305376 /nfs/dbraw/zinc/30/53/76/322305376.db2.gz FRNULVUWBACCII-AWEZNQCLSA-N 2 1 268.470 3.343 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccsc2Cl)C1 ZINC000572166484 322323214 /nfs/dbraw/zinc/32/32/14/322323214.db2.gz DFZQQOOUUCALIQ-AAEUAGOBSA-N 2 1 284.856 3.318 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1ccccc1F ZINC000572660012 322348848 /nfs/dbraw/zinc/34/88/48/322348848.db2.gz XSWJJHWNMACCRM-UHFFFAOYSA-N 2 1 275.371 3.017 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)F)cc1 ZINC000584140628 327048710 /nfs/dbraw/zinc/04/87/10/327048710.db2.gz PYSLSUZHKBBBID-UHFFFAOYSA-N 2 1 270.367 3.398 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)F)cc1 ZINC000584140628 327048712 /nfs/dbraw/zinc/04/87/12/327048712.db2.gz PYSLSUZHKBBBID-UHFFFAOYSA-N 2 1 270.367 3.398 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000394878246 329163540 /nfs/dbraw/zinc/16/35/40/329163540.db2.gz GPZQBYNVVDPMHL-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccccc1C[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000580446559 330139936 /nfs/dbraw/zinc/13/99/36/330139936.db2.gz PDMQBPYXICZTRM-UHFFFAOYSA-N 2 1 283.419 3.326 20 0 CGADMP Cc1ccccc1C[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000580446559 330139937 /nfs/dbraw/zinc/13/99/37/330139937.db2.gz PDMQBPYXICZTRM-UHFFFAOYSA-N 2 1 283.419 3.326 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000576420481 335201648 /nfs/dbraw/zinc/20/16/48/335201648.db2.gz RMUUWJPZPKFEJU-REWJHTLYSA-N 2 1 292.389 3.285 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000576596787 335224548 /nfs/dbraw/zinc/22/45/48/335224548.db2.gz ZVCNXLIWDOVCHP-KRWDZBQOSA-N 2 1 283.419 3.060 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000576596787 335224550 /nfs/dbraw/zinc/22/45/50/335224550.db2.gz ZVCNXLIWDOVCHP-KRWDZBQOSA-N 2 1 283.419 3.060 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000576596787 335224551 /nfs/dbraw/zinc/22/45/51/335224551.db2.gz ZVCNXLIWDOVCHP-KRWDZBQOSA-N 2 1 283.419 3.060 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576822326 335251971 /nfs/dbraw/zinc/25/19/71/335251971.db2.gz BFGQSKADLMVSLU-PKOBYXMFSA-N 2 1 286.463 3.331 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000577114616 335302730 /nfs/dbraw/zinc/30/27/30/335302730.db2.gz IIUUCVYNSDKFTI-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000577562251 335368697 /nfs/dbraw/zinc/36/86/97/335368697.db2.gz WKUFFNQAGYMOEU-KRWDZBQOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C(C)C)CCCO2 ZINC000577620175 335379864 /nfs/dbraw/zinc/37/98/64/335379864.db2.gz LFUSYOFTTLRFDN-MRXNPFEDSA-N 2 1 276.424 3.186 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](C2CCCC2)CC1 ZINC000581339680 336052653 /nfs/dbraw/zinc/05/26/53/336052653.db2.gz IZMDXOLOEPBEAC-MRXNPFEDSA-N 2 1 295.515 3.103 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000381472121 336066104 /nfs/dbraw/zinc/06/61/04/336066104.db2.gz LKWJTTPDHKWTEA-OSMZGAPFSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000381472121 336066105 /nfs/dbraw/zinc/06/61/05/336066105.db2.gz LKWJTTPDHKWTEA-OSMZGAPFSA-N 2 1 252.427 3.190 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000581397278 336068298 /nfs/dbraw/zinc/06/82/98/336068298.db2.gz ODNHMZSVQWNNLF-NQHOJNORSA-N 2 1 294.389 3.298 20 0 CGADMP c1ccc(CCC[C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000581671844 336126050 /nfs/dbraw/zinc/12/60/50/336126050.db2.gz LCNLAHKXCAOYQT-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000385188041 336141523 /nfs/dbraw/zinc/14/15/23/336141523.db2.gz ODJBWLMVTQTOKG-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C(C[NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000385389781 336145414 /nfs/dbraw/zinc/14/54/14/336145414.db2.gz ZJDBQGAORPGACR-UHFFFAOYSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000386184567 336167935 /nfs/dbraw/zinc/16/79/35/336167935.db2.gz JEOKJQXETDPOPG-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC000582003540 336188925 /nfs/dbraw/zinc/18/89/25/336188925.db2.gz NJUKCYSMHKTEMG-GOSISDBHSA-N 2 1 281.403 3.123 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449129263 533724246 /nfs/dbraw/zinc/72/42/46/533724246.db2.gz USULQUBYFHOTFZ-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449129263 533724255 /nfs/dbraw/zinc/72/42/55/533724255.db2.gz USULQUBYFHOTFZ-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425949013 533883795 /nfs/dbraw/zinc/88/37/95/533883795.db2.gz DEDNDVDVOWOYLV-VXGBXAGGSA-N 2 1 284.831 3.197 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423528072 533885292 /nfs/dbraw/zinc/88/52/92/533885292.db2.gz NRAKDFNXVFTKER-LLVKDONJSA-N 2 1 282.815 3.141 20 0 CGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc2ccccc21 ZINC000449170624 533897016 /nfs/dbraw/zinc/89/70/16/533897016.db2.gz IVZOYYZDDDINPF-RHSMWYFYSA-N 2 1 298.430 3.421 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[NH2+]1 ZINC000423367613 533964053 /nfs/dbraw/zinc/96/40/53/533964053.db2.gz DLQYPZFPYZOBLP-JTNHKYCSSA-N 2 1 280.412 3.093 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[NH2+]1 ZINC000423377380 533964638 /nfs/dbraw/zinc/96/46/38/533964638.db2.gz LOIBXAXURXEERC-MPKXVKKWSA-N 2 1 280.412 3.093 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000424189115 533966406 /nfs/dbraw/zinc/96/64/06/533966406.db2.gz ZSLOWASHALUDHT-OIISXLGYSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000424189115 533966412 /nfs/dbraw/zinc/96/64/12/533966412.db2.gz ZSLOWASHALUDHT-OIISXLGYSA-N 2 1 270.420 3.182 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000425366409 533985761 /nfs/dbraw/zinc/98/57/61/533985761.db2.gz ZZEXCRPVZOGJSF-HYVNUMGLSA-N 2 1 292.492 3.381 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(OC(F)F)c1 ZINC000423497938 533994482 /nfs/dbraw/zinc/99/44/82/533994482.db2.gz ANUMWGIWYGWITL-XHDPSFHLSA-N 2 1 298.377 3.456 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000449130464 534229427 /nfs/dbraw/zinc/22/94/27/534229427.db2.gz GPOCMXPHPGMTIX-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368440867 534417761 /nfs/dbraw/zinc/41/77/61/534417761.db2.gz INFYEQBHPFCOBQ-SFHVURJKSA-N 2 1 295.430 3.002 20 0 CGADMP c1cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2o1 ZINC000449087685 534476828 /nfs/dbraw/zinc/47/68/28/534476828.db2.gz GLKZMEHMPIKQHC-HOTGVXAUSA-N 2 1 270.376 3.149 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCS2 ZINC000423527686 534501785 /nfs/dbraw/zinc/50/17/85/534501785.db2.gz NDGWMOPUYHIVGU-AWEZNQCLSA-N 2 1 280.412 3.094 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000037643722 521710240 /nfs/dbraw/zinc/71/02/40/521710240.db2.gz NWYJPZMOWAIZCX-INIZCTEOSA-N 2 1 268.404 3.271 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000037643979 521717627 /nfs/dbraw/zinc/71/76/27/521717627.db2.gz FGPJKZUCASHMQO-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Sc2ccccc2)[C@H](C)C1 ZINC000129710457 521721195 /nfs/dbraw/zinc/72/11/95/521721195.db2.gz FTPWXMSGEOTARI-INMHGKMJSA-N 2 1 292.492 3.487 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(Cl)cc1 ZINC000054629178 521957478 /nfs/dbraw/zinc/95/74/78/521957478.db2.gz RKDRMOTZMMMQBM-MQVJKMGUSA-N 2 1 278.827 3.097 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423382349 534879424 /nfs/dbraw/zinc/87/94/24/534879424.db2.gz OVRFZFHDGJUPKM-GVXVVHGQSA-N 2 1 281.469 3.366 20 0 CGADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCC1 ZINC000173874277 527482630 /nfs/dbraw/zinc/48/26/30/527482630.db2.gz TZIOYQAJFGEQHO-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000449089926 527815473 /nfs/dbraw/zinc/81/54/73/527815473.db2.gz LWWYGQDBVYBPBV-ZJIFWQFVSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@H](C)C1 ZINC000366671977 527889262 /nfs/dbraw/zinc/88/92/62/527889262.db2.gz KIMWECVTORROHE-ADAWSYLGSA-N 2 1 290.426 3.392 20 0 CGADMP CC(C)c1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424297555 528275629 /nfs/dbraw/zinc/27/56/29/528275629.db2.gz SXIPBKRFAGCGTQ-CYBMUJFWSA-N 2 1 293.480 3.231 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423236423 528331285 /nfs/dbraw/zinc/33/12/85/528331285.db2.gz CJSGERYZYVJQNF-INIZCTEOSA-N 2 1 282.431 3.406 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423229262 528335800 /nfs/dbraw/zinc/33/58/00/528335800.db2.gz ANCVEEOABNQBJF-ZFWWWQNUSA-N 2 1 266.816 3.175 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cncs2)CC1 ZINC000411181318 528338515 /nfs/dbraw/zinc/33/85/15/528338515.db2.gz OMZKWFZJIGIJIT-UHFFFAOYSA-N 2 1 295.496 3.130 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423384690 528420452 /nfs/dbraw/zinc/42/04/52/528420452.db2.gz QHNRDJVAKBCJGR-NOOOWODRSA-N 2 1 286.872 3.481 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2sccc21 ZINC000423258774 528519301 /nfs/dbraw/zinc/51/93/01/528519301.db2.gz CIUAPSOMYXJDSX-DGCLKSJQSA-N 2 1 252.427 3.089 20 0 CGADMP CCCNc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000414159925 528569733 /nfs/dbraw/zinc/56/97/33/528569733.db2.gz YWLSDIZQNLVHPQ-UHFFFAOYSA-N 2 1 287.451 3.225 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423329644 528689696 /nfs/dbraw/zinc/68/96/96/528689696.db2.gz TVQKINZQGZCNGK-DYVFJYSZSA-N 2 1 276.424 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000414814112 528818637 /nfs/dbraw/zinc/81/86/37/528818637.db2.gz NFAURMFSUQKUTA-INIZCTEOSA-N 2 1 271.408 3.150 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000449100779 528834556 /nfs/dbraw/zinc/83/45/56/528834556.db2.gz SLUPPJMVTVEUTB-IIDMSEBBSA-N 2 1 290.451 3.182 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423286802 528949937 /nfs/dbraw/zinc/94/99/37/528949937.db2.gz IUYBTGOLWMWRJL-ZDUSSCGKSA-N 2 1 292.423 3.016 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423299667 528953951 /nfs/dbraw/zinc/95/39/51/528953951.db2.gz QJSINLVMOJGNOR-WCQYABFASA-N 2 1 262.388 3.308 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000423287627 528954866 /nfs/dbraw/zinc/95/48/66/528954866.db2.gz NMRISBTZDBNWAE-HNNXBMFYSA-N 2 1 276.424 3.316 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000423295226 528955906 /nfs/dbraw/zinc/95/59/06/528955906.db2.gz DRCZMGPSSXWIPI-ZBFHGGJFSA-N 2 1 264.413 3.253 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423278629 529068826 /nfs/dbraw/zinc/06/88/26/529068826.db2.gz RAZVNLFGBRSLTI-TVQRCGJNSA-N 2 1 258.768 3.113 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cc2ccccc2o1 ZINC000423452456 529125763 /nfs/dbraw/zinc/12/57/63/529125763.db2.gz WJMHSFHWKMENQK-WQGACYEGSA-N 2 1 260.381 3.455 20 0 CGADMP CC[C@](C)(O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000161587211 529373758 /nfs/dbraw/zinc/37/37/58/529373758.db2.gz XVKPMRMHLPWNNX-WMZOPIPTSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125598079 534924897 /nfs/dbraw/zinc/92/48/97/534924897.db2.gz NMHJHQACLXFWCC-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125598079 534924900 /nfs/dbraw/zinc/92/49/00/534924900.db2.gz NMHJHQACLXFWCC-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125598079 534924904 /nfs/dbraw/zinc/92/49/04/534924904.db2.gz NMHJHQACLXFWCC-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129871828 535420829 /nfs/dbraw/zinc/42/08/29/535420829.db2.gz PZYASIAKGUGMOX-IJEWVQPXSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129871828 535420831 /nfs/dbraw/zinc/42/08/31/535420831.db2.gz PZYASIAKGUGMOX-IJEWVQPXSA-N 2 1 276.424 3.219 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459520318 536137681 /nfs/dbraw/zinc/13/76/81/536137681.db2.gz ZOJFFAMYRPJRIB-BZSNNMDCSA-N 2 1 272.436 3.206 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000459790093 536385924 /nfs/dbraw/zinc/38/59/24/536385924.db2.gz QTQJAQCUJFETIT-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](C[C@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450983617 536443987 /nfs/dbraw/zinc/44/39/87/536443987.db2.gz RQAAESCSDQZPQS-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](C[C@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450983617 536443989 /nfs/dbraw/zinc/44/39/89/536443989.db2.gz RQAAESCSDQZPQS-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](C[C@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450983617 536443990 /nfs/dbraw/zinc/44/39/90/536443990.db2.gz RQAAESCSDQZPQS-JKXDFHQYSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225877230 572343761 /nfs/dbraw/zinc/34/37/61/572343761.db2.gz DPILZLPNGPPYMI-OIISXLGYSA-N 2 1 258.409 3.212 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2C)C[C@H]1C ZINC000892104990 618532800 /nfs/dbraw/zinc/53/28/00/618532800.db2.gz WXYGKFSFFIWOBQ-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2C)C[C@H]1C ZINC000892104990 618532807 /nfs/dbraw/zinc/53/28/07/618532807.db2.gz WXYGKFSFFIWOBQ-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP C[N@@H+](Cc1cccc2cccnc21)C1(C[NH3+])CCCCC1 ZINC000050088003 618649946 /nfs/dbraw/zinc/64/99/46/618649946.db2.gz DBPUVVQNBURKOM-UHFFFAOYSA-N 2 1 283.419 3.328 20 0 CGADMP CC1(C)[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@@H]2CCCC[C@@H]21 ZINC000121892280 618660696 /nfs/dbraw/zinc/66/06/96/618660696.db2.gz SAZYUAPWCLXWBT-MXASKKJJSA-N 2 1 276.468 3.275 20 0 CGADMP Cc1cccc2c1CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000781890099 618728917 /nfs/dbraw/zinc/72/89/17/618728917.db2.gz LQFYEFZIBWHMQG-UHFFFAOYSA-N 2 1 272.436 3.229 20 0 CGADMP Cc1cccc2c1CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000781890099 618728921 /nfs/dbraw/zinc/72/89/21/618728921.db2.gz LQFYEFZIBWHMQG-UHFFFAOYSA-N 2 1 272.436 3.229 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[C@@H]1C ZINC000783226067 618898867 /nfs/dbraw/zinc/89/88/67/618898867.db2.gz ZHOQMYBKNIAQMF-YOEHRIQHSA-N 2 1 260.425 3.415 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)o2)c1 ZINC000892937973 618957506 /nfs/dbraw/zinc/95/75/06/618957506.db2.gz JWGLPSSNMMXXAU-UHFFFAOYSA-N 2 1 288.391 3.030 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)o2)c1 ZINC000892937973 618957508 /nfs/dbraw/zinc/95/75/08/618957508.db2.gz JWGLPSSNMMXXAU-UHFFFAOYSA-N 2 1 288.391 3.030 20 0 CGADMP C[C@H]([C@@H]1CCCC[C@H]1C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750801 619214803 /nfs/dbraw/zinc/21/48/03/619214803.db2.gz HRONCYLEKPEONI-JHJVBQTASA-N 2 1 293.480 3.175 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1 ZINC000925767341 619228287 /nfs/dbraw/zinc/22/82/87/619228287.db2.gz XRMSTGKSLLLQIO-GWFJUFKTSA-N 2 1 258.409 3.243 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(C)s1 ZINC000925779696 619242241 /nfs/dbraw/zinc/24/22/41/619242241.db2.gz OQKXZAHTMZFKLU-CMPLNLGQSA-N 2 1 288.407 3.260 20 0 CGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000925779868 619242379 /nfs/dbraw/zinc/24/23/79/619242379.db2.gz PTCIWFVFVNFRJU-YPMHNXCESA-N 2 1 298.402 3.058 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000071141926 619267842 /nfs/dbraw/zinc/26/78/42/619267842.db2.gz LCVZCISYBQAVPO-JKSUJKDBSA-N 2 1 260.425 3.214 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589467 619290355 /nfs/dbraw/zinc/29/03/55/619290355.db2.gz KUJJUICFSMEGIU-CVEARBPZSA-N 2 1 278.827 3.477 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589467 619290357 /nfs/dbraw/zinc/29/03/57/619290357.db2.gz KUJJUICFSMEGIU-CVEARBPZSA-N 2 1 278.827 3.477 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)o1 ZINC000893967050 619341257 /nfs/dbraw/zinc/34/12/57/619341257.db2.gz VVMGUVUBJOQDIQ-NSHDSACASA-N 2 1 277.393 3.104 20 0 CGADMP Cc1ncoc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000894207310 619418350 /nfs/dbraw/zinc/41/83/50/619418350.db2.gz QMIUWBCIPKQUJQ-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1ncoc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000894207310 619418353 /nfs/dbraw/zinc/41/83/53/619418353.db2.gz QMIUWBCIPKQUJQ-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894255337 619445830 /nfs/dbraw/zinc/44/58/30/619445830.db2.gz WWSMRXQIVUDGDV-GFCCVEGCSA-N 2 1 290.432 3.038 20 0 CGADMP Cc1ccc(CC[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000894456864 619543952 /nfs/dbraw/zinc/54/39/52/619543952.db2.gz ROGRNHVUHPVDGV-GOSISDBHSA-N 2 1 274.452 3.166 20 0 CGADMP Fc1ccc2oc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC000262097057 619704937 /nfs/dbraw/zinc/70/49/37/619704937.db2.gz VFZMUTXBEBIKPP-UHFFFAOYSA-N 2 1 288.366 3.147 20 0 CGADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000895383539 619817741 /nfs/dbraw/zinc/81/77/41/619817741.db2.gz JWZVKYGKSURQHI-UPTPFMHGSA-N 2 1 294.483 3.188 20 0 CGADMP COC1CCC(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000895383539 619817745 /nfs/dbraw/zinc/81/77/45/619817745.db2.gz JWZVKYGKSURQHI-UPTPFMHGSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccc(C(F)F)c(F)c1)[NH+](C)C ZINC000895428845 619824762 /nfs/dbraw/zinc/82/47/62/619824762.db2.gz JKTNAZRVWVZTAX-JTQLQIEISA-N 2 1 274.330 3.193 20 0 CGADMP CC1(O)CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000895838923 619891606 /nfs/dbraw/zinc/89/16/06/619891606.db2.gz AMSTVRIMWZXBJI-NXYGQSRBSA-N 2 1 294.483 3.067 20 0 CGADMP CC1(O)CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000895838923 619891610 /nfs/dbraw/zinc/89/16/10/619891610.db2.gz AMSTVRIMWZXBJI-NXYGQSRBSA-N 2 1 294.483 3.067 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000925142555 620172075 /nfs/dbraw/zinc/17/20/75/620172075.db2.gz OLCIEKXSQIYXMU-DGXTUMSLSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC[N@H+]1C ZINC000925142555 620172077 /nfs/dbraw/zinc/17/20/77/620172077.db2.gz OLCIEKXSQIYXMU-DGXTUMSLSA-N 2 1 264.457 3.274 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC1 ZINC000897881917 620443334 /nfs/dbraw/zinc/44/33/34/620443334.db2.gz FTUHPJBBJSADLZ-NNUKFRKNSA-N 2 1 294.389 3.285 20 0 CGADMP Clc1ccc(CC[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897980589 620461291 /nfs/dbraw/zinc/46/12/91/620461291.db2.gz CTUJAFPVZBUSRM-UHFFFAOYSA-N 2 1 292.854 3.489 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2cccc(C)c21 ZINC000924712376 620572267 /nfs/dbraw/zinc/57/22/67/620572267.db2.gz IDTCJSZJJOKWLY-INIZCTEOSA-N 2 1 269.392 3.167 20 0 CGADMP CCNc1ccccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000902055847 621122041 /nfs/dbraw/zinc/12/20/41/621122041.db2.gz BRDJBFLVMXWOEM-UHFFFAOYSA-N 2 1 289.467 3.328 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C1 ZINC000902351142 621284222 /nfs/dbraw/zinc/28/42/22/621284222.db2.gz CVPZNXVOMWTNST-TZMCWYRMSA-N 2 1 294.826 3.141 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(SC(F)F)cc1 ZINC000902416974 621309306 /nfs/dbraw/zinc/30/93/06/621309306.db2.gz QLNSYZNCWBCOHI-VIFPVBQESA-N 2 1 272.364 3.143 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(SCC(F)F)cc1 ZINC000902414066 621323653 /nfs/dbraw/zinc/32/36/53/621323653.db2.gz RJYAGNAMKBWQIB-SNVBAGLBSA-N 2 1 286.391 3.186 20 0 CGADMP CCOc1ccc([C@H](CC)[NH2+]CC2([NH3+])CC2)cc1OCC ZINC000902415091 621324694 /nfs/dbraw/zinc/32/46/94/621324694.db2.gz ADJLPGLBCAEMIN-AWEZNQCLSA-N 2 1 292.423 3.016 20 0 CGADMP Clc1cccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)c1 ZINC000902462357 621336658 /nfs/dbraw/zinc/33/66/58/621336658.db2.gz VEWBLJQSFZCXJP-BMQFZULRSA-N 2 1 290.838 3.459 20 0 CGADMP Clc1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902464988 621338272 /nfs/dbraw/zinc/33/82/72/621338272.db2.gz GHSIXXRALXVLGS-XLNGHYISSA-N 2 1 290.838 3.144 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466820 621338403 /nfs/dbraw/zinc/33/84/03/621338403.db2.gz NGABANCBSPAUCR-NOTNWKISSA-N 2 1 290.838 3.459 20 0 CGADMP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)cc1 ZINC000902466898 621339270 /nfs/dbraw/zinc/33/92/70/621339270.db2.gz OLPAMWXNJPSYCF-FYNNLBNCSA-N 2 1 290.838 3.459 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)cn1 ZINC000902756567 621426828 /nfs/dbraw/zinc/42/68/28/621426828.db2.gz JERQAZVYEQDMDX-HZPDHXFCSA-N 2 1 296.418 3.244 20 0 CGADMP c1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903057365 621546162 /nfs/dbraw/zinc/54/61/62/621546162.db2.gz GDUZQVVFQHYOGM-FQVATPOOSA-N 2 1 296.458 3.291 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903076653 621558305 /nfs/dbraw/zinc/55/83/05/621558305.db2.gz TXRQEUZDWSNMKD-RRYDCEEVSA-N 2 1 250.430 3.168 20 0 CGADMP C[C@H](C[NH2+][C@H](c1ccccn1)C1CC1)C[NH+]1CCCCC1 ZINC000903072057 621569479 /nfs/dbraw/zinc/56/94/79/621569479.db2.gz BOVYEBFPDLXWSZ-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(SC)CC2)[C@@H](C)C1 ZINC000903156225 621600709 /nfs/dbraw/zinc/60/07/09/621600709.db2.gz QHYXOPSPJQQERQ-SLTXQBBLSA-N 2 1 284.513 3.228 20 0 CGADMP c1ccc(C2(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000903170530 621619553 /nfs/dbraw/zinc/61/95/53/621619553.db2.gz KGKKGJQCOMQZNQ-ROUUACIJSA-N 2 1 284.447 3.325 20 0 CGADMP C1=CC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903206164 621628916 /nfs/dbraw/zinc/62/89/16/621628916.db2.gz HVPMGANRBPNNHU-DUZACMNTSA-N 2 1 274.452 3.480 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000903206211 621629923 /nfs/dbraw/zinc/62/99/23/621629923.db2.gz PHYSTJHDUFHVHY-BIEPCVITSA-N 2 1 274.452 3.170 20 0 CGADMP C1=C[C@H](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903217240 621632779 /nfs/dbraw/zinc/63/27/79/621632779.db2.gz SAALVVXUNMAMTO-UNPWZGGWSA-N 2 1 274.452 3.480 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000903434815 621745149 /nfs/dbraw/zinc/74/51/49/621745149.db2.gz KMYIOUMLJDVYND-CGTJXYLNSA-N 2 1 272.436 3.384 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)C1 ZINC000903433302 621745196 /nfs/dbraw/zinc/74/51/96/621745196.db2.gz ZIJMLEBPIDEPMW-JCKWVBRZSA-N 2 1 270.420 3.266 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903437611 621745961 /nfs/dbraw/zinc/74/59/61/621745961.db2.gz KJQYTQOSZRTELI-KMFMINBZSA-N 2 1 258.409 3.123 20 0 CGADMP CCc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000903422885 621751205 /nfs/dbraw/zinc/75/12/05/621751205.db2.gz LOCGCYMPEASEJI-AWEZNQCLSA-N 2 1 268.404 3.183 20 0 CGADMP FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481821 621764902 /nfs/dbraw/zinc/76/49/02/621764902.db2.gz NSCUKYMDKNSTAP-OLZOCXBDSA-N 2 1 272.383 3.076 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1CC[NH3+] ZINC000903498986 621766116 /nfs/dbraw/zinc/76/61/16/621766116.db2.gz QGGRDKRHFKHEDZ-HYVNUMGLSA-N 2 1 272.436 3.023 20 0 CGADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903718484 621795978 /nfs/dbraw/zinc/79/59/78/621795978.db2.gz NGDMSCIVKHFXMR-CQSZACIVSA-N 2 1 298.377 3.110 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732936 621797845 /nfs/dbraw/zinc/79/78/45/621797845.db2.gz HXIXQWCAEFTCTD-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903784765 621808249 /nfs/dbraw/zinc/80/82/49/621808249.db2.gz RPWGBUYQYPPHBK-ZIAGYGMSSA-N 2 1 294.389 3.144 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903784765 621808252 /nfs/dbraw/zinc/80/82/52/621808252.db2.gz RPWGBUYQYPPHBK-ZIAGYGMSSA-N 2 1 294.389 3.144 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000903789614 621809044 /nfs/dbraw/zinc/80/90/44/621809044.db2.gz YMULHRNYTMSDNT-STQMWFEESA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c(C)n1 ZINC000903811198 621814270 /nfs/dbraw/zinc/81/42/70/621814270.db2.gz JPAQIINSFWDLEH-QGZVFWFLSA-N 2 1 287.451 3.182 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903827844 621817745 /nfs/dbraw/zinc/81/77/45/621817745.db2.gz YQEDJMTXNZBFPV-HNNXBMFYSA-N 2 1 270.486 3.113 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000903842167 621819229 /nfs/dbraw/zinc/81/92/29/621819229.db2.gz KUFSLESWOKTBHE-SIUGBPQLSA-N 2 1 274.383 3.015 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000903890292 621823672 /nfs/dbraw/zinc/82/36/72/621823672.db2.gz BEVDEVAMRCOGTF-GJZGRUSLSA-N 2 1 282.378 3.239 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000903890292 621823674 /nfs/dbraw/zinc/82/36/74/621823674.db2.gz BEVDEVAMRCOGTF-GJZGRUSLSA-N 2 1 282.378 3.239 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903899927 621830132 /nfs/dbraw/zinc/83/01/32/621830132.db2.gz YURONOCZNFUUEU-HIFRSBDPSA-N 2 1 282.378 3.423 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903899927 621830134 /nfs/dbraw/zinc/83/01/34/621830134.db2.gz YURONOCZNFUUEU-HIFRSBDPSA-N 2 1 282.378 3.423 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000903931647 621834745 /nfs/dbraw/zinc/83/47/45/621834745.db2.gz HGICCDZTLPXEEM-QWHCGFSZSA-N 2 1 260.372 3.014 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000903960079 621837770 /nfs/dbraw/zinc/83/77/70/621837770.db2.gz WPLUOSZFPFTFCB-FHWLQOOXSA-N 2 1 284.447 3.256 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955370 621843208 /nfs/dbraw/zinc/84/32/08/621843208.db2.gz QDQAUWAEOIDALE-GFCCVEGCSA-N 2 1 294.345 3.076 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@H]1CC[NH3+] ZINC000903976851 621844272 /nfs/dbraw/zinc/84/42/72/621844272.db2.gz DSRBPMRZJKFXQR-TZMCWYRMSA-N 2 1 274.433 3.318 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000904301739 621902336 /nfs/dbraw/zinc/90/23/36/621902336.db2.gz QEQWVIQSHFUWTH-BXUZGUMPSA-N 2 1 286.341 3.323 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000904301739 621902338 /nfs/dbraw/zinc/90/23/38/621902338.db2.gz QEQWVIQSHFUWTH-BXUZGUMPSA-N 2 1 286.341 3.323 20 0 CGADMP COCC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000904309843 621902725 /nfs/dbraw/zinc/90/27/25/621902725.db2.gz QRKCQGGHOIRTED-AEFFLSMTSA-N 2 1 290.451 3.086 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904325113 621907267 /nfs/dbraw/zinc/90/72/67/621907267.db2.gz PJHQGPWQBPRAGW-HLLBOEOZSA-N 2 1 258.409 3.178 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1c1ccccc1 ZINC000904326652 621907895 /nfs/dbraw/zinc/90/78/95/621907895.db2.gz PITYORRTCAZQGG-XYVMCAHJSA-N 2 1 272.436 3.239 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341349 621909783 /nfs/dbraw/zinc/90/97/83/621909783.db2.gz OBLWOPHEKGBVFU-UAGQMJEPSA-N 2 1 278.415 3.062 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C[C@@H]([NH3+])CCC(C)(C)C)CCOCC2 ZINC000904373593 621913812 /nfs/dbraw/zinc/91/38/12/621913812.db2.gz GBLFRTODFBZDIW-GJZGRUSLSA-N 2 1 282.472 3.031 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1C(F)(F)F ZINC000904406619 621918419 /nfs/dbraw/zinc/91/84/19/621918419.db2.gz IDBVREGAVNRGBL-GFCCVEGCSA-N 2 1 286.341 3.185 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000904405988 621918435 /nfs/dbraw/zinc/91/84/35/621918435.db2.gz NEJPQCXTRHRFNS-JTQLQIEISA-N 2 1 290.304 3.015 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000904406354 621918614 /nfs/dbraw/zinc/91/86/14/621918614.db2.gz QRGMMSVTZOHYPC-LLVKDONJSA-N 2 1 293.461 3.042 20 0 CGADMP c1ncc(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)o1 ZINC000906519473 622241988 /nfs/dbraw/zinc/24/19/88/622241988.db2.gz AMKMBSRUXBOZHI-DLBZAZTESA-N 2 1 297.402 3.058 20 0 CGADMP c1ncc(-c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)o1 ZINC000906519473 622241990 /nfs/dbraw/zinc/24/19/90/622241990.db2.gz AMKMBSRUXBOZHI-DLBZAZTESA-N 2 1 297.402 3.058 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906586094 622249101 /nfs/dbraw/zinc/24/91/01/622249101.db2.gz CQORDAUSPCGLTO-BRWVUGGUSA-N 2 1 276.399 3.098 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906586094 622249107 /nfs/dbraw/zinc/24/91/07/622249107.db2.gz CQORDAUSPCGLTO-BRWVUGGUSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)C[NH+]1CCCC1 ZINC000165311646 622858571 /nfs/dbraw/zinc/85/85/71/622858571.db2.gz KMTWXFHJTFOSIQ-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876933120 622865109 /nfs/dbraw/zinc/86/51/09/622865109.db2.gz FVWUVSDTGBJWQM-STQMWFEESA-N 2 1 293.282 3.424 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921737067 625857259 /nfs/dbraw/zinc/85/72/59/625857259.db2.gz RQVAVEGXKGXKAB-WNRNVDISSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921737067 625857261 /nfs/dbraw/zinc/85/72/61/625857261.db2.gz RQVAVEGXKGXKAB-WNRNVDISSA-N 2 1 294.483 3.046 20 0 CGADMP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC([NH+]4CCCCC4)CC3)C[C@@H]21 ZINC000929285805 625989808 /nfs/dbraw/zinc/98/98/08/625989808.db2.gz GPAIEPLXCXMVJC-MKZZRHPPSA-N 2 1 298.421 3.228 20 0 CGADMP Fc1ccccc1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923315838 626145143 /nfs/dbraw/zinc/14/51/43/626145143.db2.gz LGYCNZQISGYPDY-UHFFFAOYSA-N 2 1 276.399 3.147 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923355559 626148670 /nfs/dbraw/zinc/14/86/70/626148670.db2.gz NSPLJAMXFFAGFP-QGZVFWFLSA-N 2 1 262.441 3.032 20 0 CGADMP Cc1cncc([C@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923416837 626151026 /nfs/dbraw/zinc/15/10/26/626151026.db2.gz QMDNLQQTONALEA-ZCTYVAAUSA-N 2 1 299.462 3.448 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923414320 626151816 /nfs/dbraw/zinc/15/18/16/626151816.db2.gz LGMKBHCQZWMJNJ-QGZVFWFLSA-N 2 1 278.415 3.065 20 0 CGADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923432676 626154228 /nfs/dbraw/zinc/15/42/28/626154228.db2.gz PHAPEZROHZUDRV-HMQMGEFJSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495665 626157631 /nfs/dbraw/zinc/15/76/31/626157631.db2.gz DRPMNDDZINVANT-HWWQOWPSSA-N 2 1 282.378 3.333 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491769 626158036 /nfs/dbraw/zinc/15/80/36/626158036.db2.gz UBUMESMNPQAWRR-LSDHHAIUSA-N 2 1 289.467 3.184 20 0 CGADMP CC(C)CCc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923502371 626158952 /nfs/dbraw/zinc/15/89/52/626158952.db2.gz WPYXQISFURZGPI-UONOGXRCSA-N 2 1 295.496 3.148 20 0 CGADMP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000923526353 626161125 /nfs/dbraw/zinc/16/11/25/626161125.db2.gz ORKSBWCGAHQITB-RLAWYHOSSA-N 2 1 290.373 3.181 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc(C[NH+]2CCCCC2)c1 ZINC000839533458 626757556 /nfs/dbraw/zinc/75/75/56/626757556.db2.gz UCJPYHGUEJLZBY-MSOLQXFVSA-N 2 1 270.420 3.267 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000764806281 627225593 /nfs/dbraw/zinc/22/55/93/627225593.db2.gz MZTUSHCBNVTVIC-GFCCVEGCSA-N 2 1 269.820 3.116 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000764806281 627225596 /nfs/dbraw/zinc/22/55/96/627225596.db2.gz MZTUSHCBNVTVIC-GFCCVEGCSA-N 2 1 269.820 3.116 20 0 CGADMP COc1ccc2c(NC[C@H]3CC[N@H+](C(C)C)C3)cc[nH+]c2c1 ZINC000765490880 627253226 /nfs/dbraw/zinc/25/32/26/627253226.db2.gz YPWFOPLUEXXZBJ-CQSZACIVSA-N 2 1 299.418 3.386 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCc1ccccc1F ZINC000767375208 627403110 /nfs/dbraw/zinc/40/31/10/627403110.db2.gz KYHXLRMQWZIBLT-UHFFFAOYSA-N 2 1 289.398 3.285 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCc1ccccc1F ZINC000767375208 627403114 /nfs/dbraw/zinc/40/31/14/627403114.db2.gz KYHXLRMQWZIBLT-UHFFFAOYSA-N 2 1 289.398 3.285 20 0 CGADMP c1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770393140 627617137 /nfs/dbraw/zinc/61/71/37/627617137.db2.gz AVJMXUUQMWWQIY-HDICACEKSA-N 2 1 278.399 3.005 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC000773070556 627850050 /nfs/dbraw/zinc/85/00/50/627850050.db2.gz XRVZLHKIYKBNKG-NVXWUHKLSA-N 2 1 260.425 3.123 20 0 CGADMP CC[C@@](C)([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000775388801 628088608 /nfs/dbraw/zinc/08/86/08/628088608.db2.gz SKYBGZHGMDSWHY-MRXNPFEDSA-N 2 1 257.381 3.107 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC000777595827 628287495 /nfs/dbraw/zinc/28/74/95/628287495.db2.gz UCNRQLCVCYSTFH-GOSISDBHSA-N 2 1 290.426 3.320 20 0 CGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC000777595827 628287506 /nfs/dbraw/zinc/28/75/06/628287506.db2.gz UCNRQLCVCYSTFH-GOSISDBHSA-N 2 1 290.426 3.320 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC000777595827 628287510 /nfs/dbraw/zinc/28/75/10/628287510.db2.gz UCNRQLCVCYSTFH-GOSISDBHSA-N 2 1 290.426 3.320 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777595827 628287516 /nfs/dbraw/zinc/28/75/16/628287516.db2.gz UCNRQLCVCYSTFH-GOSISDBHSA-N 2 1 290.426 3.320 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777595827 628287521 /nfs/dbraw/zinc/28/75/21/628287521.db2.gz UCNRQLCVCYSTFH-GOSISDBHSA-N 2 1 290.426 3.320 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000783238951 628692671 /nfs/dbraw/zinc/69/26/71/628692671.db2.gz ICIXIJDUPBIJNB-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000783238951 628692675 /nfs/dbraw/zinc/69/26/75/628692675.db2.gz ICIXIJDUPBIJNB-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000783238955 628692809 /nfs/dbraw/zinc/69/28/09/628692809.db2.gz ICIXIJDUPBIJNB-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000783238955 628692811 /nfs/dbraw/zinc/69/28/11/628692811.db2.gz ICIXIJDUPBIJNB-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000783649172 628735462 /nfs/dbraw/zinc/73/54/62/628735462.db2.gz GOYWRQSCPCJJOO-UHFFFAOYSA-N 2 1 296.499 3.385 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc3ccccc3c2)CC1 ZINC000789559688 629145013 /nfs/dbraw/zinc/14/50/13/629145013.db2.gz VRMYRRQLUBJGBJ-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863543452 629601841 /nfs/dbraw/zinc/60/18/41/629601841.db2.gz YXQJQKOOEOVJPX-UHFFFAOYSA-N 2 1 287.451 3.089 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000865476153 630141727 /nfs/dbraw/zinc/14/17/27/630141727.db2.gz UQTDRJMDTDGKKK-SMDDNHRTSA-N 2 1 266.816 3.221 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCc4ccccc43)C2)CC1 ZINC000799178035 630152932 /nfs/dbraw/zinc/15/29/32/630152932.db2.gz FHZPTGKWMIKCGT-GOSISDBHSA-N 2 1 284.447 3.482 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000809735679 630794839 /nfs/dbraw/zinc/79/48/39/630794839.db2.gz OPSZIDXIJUIFFP-KGLIPLIRSA-N 2 1 272.502 3.227 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000809735678 630795298 /nfs/dbraw/zinc/79/52/98/630795298.db2.gz OPSZIDXIJUIFFP-KBPBESRZSA-N 2 1 272.502 3.227 20 0 CGADMP C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000816648245 632036267 /nfs/dbraw/zinc/03/62/67/632036267.db2.gz HMBWCJAITRCQGC-JKSUJKDBSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000817894888 632230343 /nfs/dbraw/zinc/23/03/43/632230343.db2.gz RWOJVWGWWJJMQM-DCAQKATOSA-N 2 1 263.410 3.073 20 0 CGADMP C[C@](O)(CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000817924766 632235335 /nfs/dbraw/zinc/23/53/35/632235335.db2.gz XFPXJEBRWJYSCZ-QRVBRYPASA-N 2 1 296.414 3.019 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(SC(F)F)cc1 ZINC000817965143 632260473 /nfs/dbraw/zinc/26/04/73/632260473.db2.gz MRGTWEGRMICIRL-NOZJJQNGSA-N 2 1 286.391 3.389 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000817972668 632266615 /nfs/dbraw/zinc/26/66/15/632266615.db2.gz ZPALWPLRPGRYQI-JFOHDYCDSA-N 2 1 276.399 3.192 20 0 CGADMP CCCCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000817982638 632273313 /nfs/dbraw/zinc/27/33/13/632273313.db2.gz UVWVDFJWSFHUMR-ROUUACIJSA-N 2 1 290.451 3.276 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]cc3C(F)(F)F)C2)C1 ZINC000865835105 632906696 /nfs/dbraw/zinc/90/66/96/632906696.db2.gz YTYRJFAPEPWWSW-CQSZACIVSA-N 2 1 299.340 3.023 20 0 CGADMP Cc1ccc2ccnc(N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)c2c1 ZINC000866208392 633029811 /nfs/dbraw/zinc/02/98/11/633029811.db2.gz ITMVUKZUFXILRU-NVXWUHKLSA-N 2 1 281.403 3.074 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC000866240451 633040153 /nfs/dbraw/zinc/04/01/53/633040153.db2.gz FSLHQSKJUTXZSO-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC000866240451 633040159 /nfs/dbraw/zinc/04/01/59/633040159.db2.gz FSLHQSKJUTXZSO-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000866239709 633040948 /nfs/dbraw/zinc/04/09/48/633040948.db2.gz ZZBWTZJAAGSYLW-RYQLBKOJSA-N 2 1 272.436 3.142 20 0 CGADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000866373651 633109309 /nfs/dbraw/zinc/10/93/09/633109309.db2.gz OYKWTLXRUVGSRB-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)[C@@H]2CCC[C@H]21 ZINC000866544648 633186573 /nfs/dbraw/zinc/18/65/73/633186573.db2.gz XYAPFTXXCMZYLQ-RWMBFGLXSA-N 2 1 274.399 3.130 20 0 CGADMP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000866702726 633233879 /nfs/dbraw/zinc/23/38/79/633233879.db2.gz FTCNPHOPVODZEO-ZFWWWQNUSA-N 2 1 276.399 3.003 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706657 633234697 /nfs/dbraw/zinc/23/46/97/633234697.db2.gz BXNVTUJYIYICCA-DOMZBBRYSA-N 2 1 276.415 3.365 20 0 CGADMP c1cc(C[N@@H+]2CCC3(CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000824782416 633288755 /nfs/dbraw/zinc/28/87/55/633288755.db2.gz IPKIRPNPGGCYHB-UHFFFAOYSA-N 2 1 282.391 3.033 20 0 CGADMP c1cc(C[N@H+]2CCC3(CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000824782416 633288760 /nfs/dbraw/zinc/28/87/60/633288760.db2.gz IPKIRPNPGGCYHB-UHFFFAOYSA-N 2 1 282.391 3.033 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCCc2ccccc2C1 ZINC000872030940 633949367 /nfs/dbraw/zinc/94/93/67/633949367.db2.gz KZHBYWDNHIIRJD-SFHVURJKSA-N 2 1 283.419 3.119 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872031575 633950361 /nfs/dbraw/zinc/95/03/61/633950361.db2.gz KXVLSBGSECLYGO-VXGBXAGGSA-N 2 1 291.370 3.023 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872074305 633996927 /nfs/dbraw/zinc/99/69/27/633996927.db2.gz ZVPQVOADSDKSNR-JYJNAYRXSA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872074305 633996931 /nfs/dbraw/zinc/99/69/31/633996931.db2.gz ZVPQVOADSDKSNR-JYJNAYRXSA-N 2 1 284.488 3.290 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000846217848 636161411 /nfs/dbraw/zinc/16/14/11/636161411.db2.gz FPSWZNIAYKEVMD-MRXNPFEDSA-N 2 1 262.397 3.048 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1C(F)(F)F ZINC000872149105 634066315 /nfs/dbraw/zinc/06/63/15/634066315.db2.gz KHQGJAJQTYJXPA-UKRRQHHQSA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CC2CCOCC2)C1)C1CCCC1 ZINC000872158684 634069132 /nfs/dbraw/zinc/06/91/32/634069132.db2.gz WYUNPNAGNUFHNI-WMZOPIPTSA-N 2 1 294.483 3.033 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCCCCCO)C1)C1CCCC1 ZINC000872158123 634069241 /nfs/dbraw/zinc/06/92/41/634069241.db2.gz TXPGQOMTVQQAIC-AEFFLSMTSA-N 2 1 296.499 3.159 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000876730076 634888272 /nfs/dbraw/zinc/88/82/72/634888272.db2.gz BMVCXAWEPFLVHK-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000876730076 634888275 /nfs/dbraw/zinc/88/82/75/634888275.db2.gz BMVCXAWEPFLVHK-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841030375 635109513 /nfs/dbraw/zinc/10/95/13/635109513.db2.gz GNQPEVIZCXGIRI-UHFFFAOYSA-N 2 1 276.424 3.007 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CC[N@H+]4C)C3)ccc2n1 ZINC000877738491 635173433 /nfs/dbraw/zinc/17/34/33/635173433.db2.gz BXZGAEUOAFESJI-HKUYNNGSSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)ccc2n1 ZINC000877738491 635173436 /nfs/dbraw/zinc/17/34/36/635173436.db2.gz BXZGAEUOAFESJI-HKUYNNGSSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)ccc2n1 ZINC000877738491 635173441 /nfs/dbraw/zinc/17/34/41/635173441.db2.gz BXZGAEUOAFESJI-HKUYNNGSSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)ccc2n1 ZINC000877738491 635173446 /nfs/dbraw/zinc/17/34/46/635173446.db2.gz BXZGAEUOAFESJI-HKUYNNGSSA-N 2 1 295.430 3.069 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742643 635179596 /nfs/dbraw/zinc/17/95/96/635179596.db2.gz FVIFYESRNXFCQW-ZUUPMSEOSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877742643 635179600 /nfs/dbraw/zinc/17/96/00/635179600.db2.gz FVIFYESRNXFCQW-ZUUPMSEOSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742643 635179604 /nfs/dbraw/zinc/17/96/04/635179604.db2.gz FVIFYESRNXFCQW-ZUUPMSEOSA-N 2 1 270.420 3.116 20 0 CGADMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742643 635179610 /nfs/dbraw/zinc/17/96/10/635179610.db2.gz FVIFYESRNXFCQW-ZUUPMSEOSA-N 2 1 270.420 3.116 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000877742703 635180052 /nfs/dbraw/zinc/18/00/52/635180052.db2.gz QROVEUFGRHNFNK-QSPRXWTASA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000877742703 635180056 /nfs/dbraw/zinc/18/00/56/635180056.db2.gz QROVEUFGRHNFNK-QSPRXWTASA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000877742703 635180059 /nfs/dbraw/zinc/18/00/59/635180059.db2.gz QROVEUFGRHNFNK-QSPRXWTASA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000877742703 635180061 /nfs/dbraw/zinc/18/00/61/635180061.db2.gz QROVEUFGRHNFNK-QSPRXWTASA-N 2 1 262.441 3.005 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC000878034731 635331075 /nfs/dbraw/zinc/33/10/75/635331075.db2.gz SKCCMLADCDYHIT-UHFFFAOYSA-N 2 1 264.457 3.371 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CC1CC3(CCC3)C1)CC2 ZINC000878340866 635466499 /nfs/dbraw/zinc/46/64/99/635466499.db2.gz ZIKDQVLUGMYLHR-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CC1CC3(CCC3)C1)CC2 ZINC000878340866 635466504 /nfs/dbraw/zinc/46/65/04/635466504.db2.gz ZIKDQVLUGMYLHR-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843053367 635548968 /nfs/dbraw/zinc/54/89/68/635548968.db2.gz YCBBRTKSXXPKPJ-GFCCVEGCSA-N 2 1 286.391 3.043 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843053367 635548973 /nfs/dbraw/zinc/54/89/73/635548973.db2.gz YCBBRTKSXXPKPJ-GFCCVEGCSA-N 2 1 286.391 3.043 20 0 CGADMP C[N@@H+](Cc1ncc(C(C)(C)C)s1)C1CCC([NH3+])CC1 ZINC000843055264 635551798 /nfs/dbraw/zinc/55/17/98/635551798.db2.gz USGOBQBNHFRRHR-UHFFFAOYSA-N 2 1 281.469 3.142 20 0 CGADMP C[N@@H+](Cc1cc2cc(F)ccc2o1)C1CCC([NH3+])CC1 ZINC000843055650 635553404 /nfs/dbraw/zinc/55/34/04/635553404.db2.gz JUPVJMAMOFDDLR-UHFFFAOYSA-N 2 1 276.355 3.274 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000127430207 635662044 /nfs/dbraw/zinc/66/20/44/635662044.db2.gz ZEOXMNRQDSSSQX-UHFFFAOYSA-N 2 1 275.371 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879735592 635848020 /nfs/dbraw/zinc/84/80/20/635848020.db2.gz ZWSNCOAFKPGVSV-MRXNPFEDSA-N 2 1 291.439 3.053 20 0 CGADMP CC1CCC(C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880203585 635936475 /nfs/dbraw/zinc/93/64/75/635936475.db2.gz DJTLZYVSGHWEDE-HTWSVDAQSA-N 2 1 294.483 3.046 20 0 CGADMP CC1CCC(C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000880203585 635936479 /nfs/dbraw/zinc/93/64/79/635936479.db2.gz DJTLZYVSGHWEDE-HTWSVDAQSA-N 2 1 294.483 3.046 20 0 CGADMP C=C/C=C\CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517825 636013360 /nfs/dbraw/zinc/01/33/60/636013360.db2.gz XNDYYEQYLWRDAX-PLNGDYQASA-N 2 1 250.430 3.317 20 0 CGADMP C[C@H]1C[C@H](Nc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000128834542 636079053 /nfs/dbraw/zinc/07/90/53/636079053.db2.gz VISLPKCKOGFFFO-GOEBONIOSA-N 2 1 273.424 3.181 20 0 CGADMP COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000883320372 636671819 /nfs/dbraw/zinc/67/18/19/636671819.db2.gz JSDMPRCQLBGQLM-UNEWFSDZSA-N 2 1 299.418 3.256 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000848885657 636673366 /nfs/dbraw/zinc/67/33/66/636673366.db2.gz VWUCJWCTPWAVTI-OAHLLOKOSA-N 2 1 260.425 3.194 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000883327385 636676683 /nfs/dbraw/zinc/67/66/83/636676683.db2.gz XQLYUVUWUBSWCP-KBMXLJTQSA-N 2 1 294.826 3.008 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000883327385 636676687 /nfs/dbraw/zinc/67/66/87/636676687.db2.gz XQLYUVUWUBSWCP-KBMXLJTQSA-N 2 1 294.826 3.008 20 0 CGADMP Cc1ccc(NC(=[NH2+])NCCCC[N@H+](C)C2CC2)cc1C ZINC000849039780 636728051 /nfs/dbraw/zinc/72/80/51/636728051.db2.gz RGEIYTPHJRTGCS-UHFFFAOYSA-N 2 1 288.439 3.114 20 0 CGADMP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850539062 637113529 /nfs/dbraw/zinc/11/35/29/637113529.db2.gz QCQIFBICEPTXDY-USXIJHARSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850539062 637113533 /nfs/dbraw/zinc/11/35/33/637113533.db2.gz QCQIFBICEPTXDY-USXIJHARSA-N 2 1 262.441 3.172 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886612973 637605206 /nfs/dbraw/zinc/60/52/06/637605206.db2.gz ZQAGXADJCKBQRO-PMPSAXMXSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886612973 637605217 /nfs/dbraw/zinc/60/52/17/637605217.db2.gz ZQAGXADJCKBQRO-PMPSAXMXSA-N 2 1 270.461 3.044 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3cnc(C)cn3)CC2)[nH+]c1C ZINC000886660950 637638556 /nfs/dbraw/zinc/63/85/56/637638556.db2.gz IXDJXPYCXNTAFD-AWEZNQCLSA-N 2 1 299.422 3.066 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000925489155 638222215 /nfs/dbraw/zinc/22/22/15/638222215.db2.gz OPZQITLFHONNNM-SUMWQHHRSA-N 2 1 272.367 3.046 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)CC(C)C ZINC000924633131 638379985 /nfs/dbraw/zinc/37/99/85/638379985.db2.gz UZWJNTQVUVIAFJ-JYJNAYRXSA-N 2 1 284.488 3.004 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000924720637 638394749 /nfs/dbraw/zinc/39/47/49/638394749.db2.gz JJMVGCUCLIOQPI-STQMWFEESA-N 2 1 279.428 3.064 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccccn2)c1 ZINC000924958818 638430140 /nfs/dbraw/zinc/43/01/40/638430140.db2.gz MDXCQYIIUSOFDV-INIZCTEOSA-N 2 1 297.446 3.254 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924961471 638431885 /nfs/dbraw/zinc/43/18/85/638431885.db2.gz WEXLYQSPFKPNRO-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925050952 638443226 /nfs/dbraw/zinc/44/32/26/638443226.db2.gz HAMYBGGXXWOLBX-PQUAAJSLSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925050952 638443231 /nfs/dbraw/zinc/44/32/31/638443231.db2.gz HAMYBGGXXWOLBX-PQUAAJSLSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000925063342 638445164 /nfs/dbraw/zinc/44/51/64/638445164.db2.gz RQZGUQAGRHFEST-WBVHZDCISA-N 2 1 294.483 3.212 20 0 CGADMP CSCCCCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925643961 638555393 /nfs/dbraw/zinc/55/53/93/638555393.db2.gz MGNJPEDQXXZPPZ-DZGCQCFKSA-N 2 1 266.454 3.198 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000925657897 638559284 /nfs/dbraw/zinc/55/92/84/638559284.db2.gz UVPOATAJUDAZSH-SCRDCRAPSA-N 2 1 268.351 3.100 20 0 CGADMP Cc1cccc(CCC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])n1 ZINC000925663989 638562655 /nfs/dbraw/zinc/56/26/55/638562655.db2.gz BKOXWHCHYUGNEB-CRAIPNDOSA-N 2 1 283.419 3.001 20 0 CGADMP c1c2ccccc2sc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925674495 638564688 /nfs/dbraw/zinc/56/46/88/638564688.db2.gz ARXONOQCROCCDH-INIZCTEOSA-N 2 1 286.444 3.318 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(C(F)(F)F)nc1 ZINC000925731447 638585486 /nfs/dbraw/zinc/58/54/86/638585486.db2.gz KSCAIQAWVBCGPN-NDMJEZRESA-N 2 1 299.340 3.021 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857901272 638597720 /nfs/dbraw/zinc/59/77/20/638597720.db2.gz KAUMFEDVQPLVFO-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857901272 638597721 /nfs/dbraw/zinc/59/77/21/638597721.db2.gz KAUMFEDVQPLVFO-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH+]2CCC([NH3+])(CC)CC2)s1 ZINC000925757263 638599388 /nfs/dbraw/zinc/59/93/88/638599388.db2.gz SOEODGJHIVSCKZ-GFCCVEGCSA-N 2 1 281.469 3.278 20 0 CGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cscc1Cl ZINC000925772049 638606961 /nfs/dbraw/zinc/60/69/61/638606961.db2.gz PKDPPPXVWOUKTE-VIFPVBQESA-N 2 1 295.839 3.414 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C2CCC2)o1 ZINC000925779029 638610475 /nfs/dbraw/zinc/61/04/75/638610475.db2.gz VZPJZFCGYWLBQP-HIFRSBDPSA-N 2 1 298.377 3.264 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)ccc1OC ZINC000925793620 638616619 /nfs/dbraw/zinc/61/66/19/638616619.db2.gz ZIZUBFPSOWKRED-TYNCELHUSA-N 2 1 296.842 3.245 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1coc2ccccc12 ZINC000925808567 638618850 /nfs/dbraw/zinc/61/88/50/638618850.db2.gz YVNPYOKTEFJBJY-STQMWFEESA-N 2 1 281.359 3.295 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1coc2ccccc12 ZINC000925808565 638620154 /nfs/dbraw/zinc/62/01/54/638620154.db2.gz YVNPYOKTEFJBJY-OLZOCXBDSA-N 2 1 281.359 3.295 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925872044 638636806 /nfs/dbraw/zinc/63/68/06/638636806.db2.gz NSPNLOJIWSZJMF-RCCFBDPRSA-N 2 1 299.462 3.217 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)cc2c1OCC2 ZINC000925890376 638645609 /nfs/dbraw/zinc/64/56/09/638645609.db2.gz OSOSXJZCSHONGW-SMDDNHRTSA-N 2 1 294.826 3.068 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccns1 ZINC000926119732 638713663 /nfs/dbraw/zinc/71/36/63/638713663.db2.gz PYKYJCZOIZTTQM-MELADBBJSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccns1 ZINC000926119732 638713668 /nfs/dbraw/zinc/71/36/68/638713668.db2.gz PYKYJCZOIZTTQM-MELADBBJSA-N 2 1 293.480 3.447 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926573694 638786804 /nfs/dbraw/zinc/78/68/04/638786804.db2.gz OGOZWWVHBFJPKY-HIFRSBDPSA-N 2 1 252.446 3.133 20 0 CGADMP C1C[C@H]2CC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]1S2 ZINC000926705432 638801382 /nfs/dbraw/zinc/80/13/82/638801382.db2.gz XWVDFZBGXJEIDP-YTTRVJOFSA-N 2 1 294.508 3.410 20 0 CGADMP C1C[C@H]2CC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]1S2 ZINC000926705432 638801384 /nfs/dbraw/zinc/80/13/84/638801384.db2.gz XWVDFZBGXJEIDP-YTTRVJOFSA-N 2 1 294.508 3.410 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2CF)CC1 ZINC000929777077 638949694 /nfs/dbraw/zinc/94/96/94/638949694.db2.gz HSIXHNKIHNZDAV-UHFFFAOYSA-N 2 1 278.415 3.462 20 0 CGADMP CCCC[N@@H+](Cc1cn[nH]c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034405 639101253 /nfs/dbraw/zinc/10/12/53/639101253.db2.gz SERXIOZBCDMJFI-UHFFFAOYSA-N 2 1 292.471 3.321 20 0 CGADMP Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000859213686 639110719 /nfs/dbraw/zinc/11/07/19/639110719.db2.gz ZCRHHYSWUFYLBS-HNNXBMFYSA-N 2 1 298.434 3.040 20 0 CGADMP Cc1cnc([C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000859213686 639110725 /nfs/dbraw/zinc/11/07/25/639110725.db2.gz ZCRHHYSWUFYLBS-HNNXBMFYSA-N 2 1 298.434 3.040 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCCCF)cc1 ZINC000859212419 639110811 /nfs/dbraw/zinc/11/08/11/639110811.db2.gz JMDLVRGXYFBDDY-UHFFFAOYSA-N 2 1 266.404 3.320 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CC/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC000931313664 639132520 /nfs/dbraw/zinc/13/25/20/639132520.db2.gz FEKVNPGPUWHGFT-BLRGSVSVSA-N 2 1 284.447 3.364 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CC[C@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000931316796 639134904 /nfs/dbraw/zinc/13/49/04/639134904.db2.gz KMVPRLCICGTFJG-KFWWJZLASA-N 2 1 286.410 3.086 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CC[C@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000931316796 639134910 /nfs/dbraw/zinc/13/49/10/639134910.db2.gz KMVPRLCICGTFJG-KFWWJZLASA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CC[C@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000931316796 639134914 /nfs/dbraw/zinc/13/49/14/639134914.db2.gz KMVPRLCICGTFJG-KFWWJZLASA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000931316796 639134918 /nfs/dbraw/zinc/13/49/18/639134918.db2.gz KMVPRLCICGTFJG-KFWWJZLASA-N 2 1 286.410 3.086 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000931431850 639148744 /nfs/dbraw/zinc/14/87/44/639148744.db2.gz QVXHTPUNNLQIJK-KGLIPLIRSA-N 2 1 298.352 3.089 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000931431850 639148746 /nfs/dbraw/zinc/14/87/46/639148746.db2.gz QVXHTPUNNLQIJK-KGLIPLIRSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000931431850 639148748 /nfs/dbraw/zinc/14/87/48/639148748.db2.gz QVXHTPUNNLQIJK-KGLIPLIRSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000931431850 639148752 /nfs/dbraw/zinc/14/87/52/639148752.db2.gz QVXHTPUNNLQIJK-KGLIPLIRSA-N 2 1 298.352 3.089 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927673 639255752 /nfs/dbraw/zinc/25/57/52/639255752.db2.gz OZQSTUCRFWMQTB-GBESFXJTSA-N 2 1 295.430 3.317 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927673 639255756 /nfs/dbraw/zinc/25/57/56/639255756.db2.gz OZQSTUCRFWMQTB-GBESFXJTSA-N 2 1 295.430 3.317 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(C2CCCCC2)CC1 ZINC000934789582 639676355 /nfs/dbraw/zinc/67/63/55/639676355.db2.gz JAPVLAHBXQHQSC-UHFFFAOYSA-N 2 1 261.413 3.055 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C)CC2)C1 ZINC000251577695 640829229 /nfs/dbraw/zinc/82/92/29/640829229.db2.gz AXNWILQCCNDEMQ-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000303377275 640832024 /nfs/dbraw/zinc/83/20/24/640832024.db2.gz PCBCJDZKNJZABZ-INIZCTEOSA-N 2 1 288.439 3.277 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000251908802 640834835 /nfs/dbraw/zinc/83/48/35/640834835.db2.gz XAMIPUJPMYAHOL-XJKSGUPXSA-N 2 1 260.425 3.153 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415136423 640858836 /nfs/dbraw/zinc/85/88/36/640858836.db2.gz HIYZKRDVTKSADU-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415136423 640858838 /nfs/dbraw/zinc/85/88/38/640858838.db2.gz HIYZKRDVTKSADU-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP COc1ccc2c[nH+]c(N3CCC(C[NH+](C)C)CC3)cc2c1 ZINC001165045714 721947611 /nfs/dbraw/zinc/94/76/11/721947611.db2.gz XMDZDJXKDIQZIP-UHFFFAOYSA-N 2 1 299.418 3.021 20 0 CGADMP CC1([NH+]2CCCC2)CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001157657714 805846431 /nfs/dbraw/zinc/84/64/31/805846431.db2.gz HWHFWWRJMYNODA-UHFFFAOYSA-N 2 1 285.435 3.025 20 0 CGADMP CCC[C@@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001257320519 807105922 /nfs/dbraw/zinc/10/59/22/807105922.db2.gz VJOJHOBXXILEHU-CYBMUJFWSA-N 2 1 261.413 3.117 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc(N(C)C)[nH+]1 ZINC001158730390 805989733 /nfs/dbraw/zinc/98/97/33/805989733.db2.gz SSVVNQLWNPQZBY-HNNXBMFYSA-N 2 1 296.418 3.388 20 0 CGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC001253206063 806182689 /nfs/dbraw/zinc/18/26/89/806182689.db2.gz KHILMARFKQGRTE-ZWKOTPCHSA-N 2 1 292.467 3.066 20 0 CGADMP Cc1cc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)c[nH+]c1N ZINC001160263969 806245552 /nfs/dbraw/zinc/24/55/52/806245552.db2.gz OREIJNLEGXEHBM-OAHLLOKOSA-N 2 1 296.418 3.258 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@@H]2CCCOC2)CC1 ZINC001254371036 806387939 /nfs/dbraw/zinc/38/79/39/806387939.db2.gz AILXJRPPOAZVPP-KZNAEPCWSA-N 2 1 294.483 3.318 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC001254504473 806423104 /nfs/dbraw/zinc/42/31/04/806423104.db2.gz BNKOYJUKBUNWNT-MLGOLLRUSA-N 2 1 278.827 3.401 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2C(F)F)CC1 ZINC001254499684 806421006 /nfs/dbraw/zinc/42/10/06/806421006.db2.gz NAPXXRHWYXROME-ZDUSSCGKSA-N 2 1 268.351 3.198 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCCOc2ccc(Cl)cc2)CC1 ZINC001254500997 806422741 /nfs/dbraw/zinc/42/27/41/806422741.db2.gz OBFAVKZLMDSTCX-HNNXBMFYSA-N 2 1 296.842 3.183 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1cc(F)cc(F)c1 ZINC001254506016 806425007 /nfs/dbraw/zinc/42/50/07/806425007.db2.gz NLYVMDADYRQMOU-ABAIWWIYSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cc(F)cc(F)c1 ZINC001254506016 806425014 /nfs/dbraw/zinc/42/50/14/806425014.db2.gz NLYVMDADYRQMOU-ABAIWWIYSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)c2ccccc21 ZINC001254505218 806425764 /nfs/dbraw/zinc/42/57/64/806425764.db2.gz CKQRRYGSRJCQID-CPUCHLNUSA-N 2 1 258.409 3.309 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC001254508774 806427043 /nfs/dbraw/zinc/42/70/43/806427043.db2.gz LXWRCRYYWRXXCB-INIZCTEOSA-N 2 1 276.399 3.279 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001254506697 806428474 /nfs/dbraw/zinc/42/84/74/806428474.db2.gz XPMQAFRKXKHELV-ARFHVFGLSA-N 2 1 278.827 3.270 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3sccc32)CC1 ZINC001254507845 806428938 /nfs/dbraw/zinc/42/89/38/806428938.db2.gz FYAHZBFUOJCMTI-CQSZACIVSA-N 2 1 274.433 3.475 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)CC2CCC2)CC1 ZINC001254509809 806430746 /nfs/dbraw/zinc/43/07/46/806430746.db2.gz JBYLINWCPOMTEG-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254509996 806431471 /nfs/dbraw/zinc/43/14/71/806431471.db2.gz LAPWZYKKMSRIGN-DLBZAZTESA-N 2 1 276.399 3.351 20 0 CGADMP COc1ccccc1CC(C)(C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254512382 806432865 /nfs/dbraw/zinc/43/28/65/806432865.db2.gz MPAHBQLGNXZATL-MRXNPFEDSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(Cc3ccccc3F)CCC2)CC1 ZINC001254512185 806433020 /nfs/dbraw/zinc/43/30/20/806433020.db2.gz JZLNVXHCOMOHOD-INIZCTEOSA-N 2 1 290.426 3.365 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CCC[NH+](C)CC2)cc1 ZINC001254525150 806438919 /nfs/dbraw/zinc/43/89/19/806438919.db2.gz GRWUMJPNKPTKGB-GOEBONIOSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254525150 806438925 /nfs/dbraw/zinc/43/89/25/806438925.db2.gz GRWUMJPNKPTKGB-GOEBONIOSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@H](C)[NH+](C)[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254525150 806438930 /nfs/dbraw/zinc/43/89/30/806438930.db2.gz GRWUMJPNKPTKGB-GOEBONIOSA-N 2 1 276.424 3.172 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524607 806439998 /nfs/dbraw/zinc/43/99/98/806439998.db2.gz XQIBYFOZBCSARA-SJORKVTESA-N 2 1 273.424 3.093 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524607 806440004 /nfs/dbraw/zinc/44/00/04/806440004.db2.gz XQIBYFOZBCSARA-SJORKVTESA-N 2 1 273.424 3.093 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524607 806440007 /nfs/dbraw/zinc/44/00/07/806440007.db2.gz XQIBYFOZBCSARA-SJORKVTESA-N 2 1 273.424 3.093 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H]2c2ccccc2)CC1 ZINC001254521983 806440626 /nfs/dbraw/zinc/44/06/26/806440626.db2.gz ANHJKJZPEUPUEP-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001254521983 806440630 /nfs/dbraw/zinc/44/06/30/806440630.db2.gz ANHJKJZPEUPUEP-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001254521983 806440633 /nfs/dbraw/zinc/44/06/33/806440633.db2.gz ANHJKJZPEUPUEP-SJORKVTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001254526711 806442562 /nfs/dbraw/zinc/44/25/62/806442562.db2.gz TYYWIEWOYBLHMU-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001254526711 806442567 /nfs/dbraw/zinc/44/25/67/806442567.db2.gz TYYWIEWOYBLHMU-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001254528037 806443651 /nfs/dbraw/zinc/44/36/51/806443651.db2.gz BUKJSTHWEFJAAQ-CABCVRRESA-N 2 1 268.420 3.075 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001254528037 806443657 /nfs/dbraw/zinc/44/36/57/806443657.db2.gz BUKJSTHWEFJAAQ-CABCVRRESA-N 2 1 268.420 3.075 20 0 CGADMP F[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255127618 806550668 /nfs/dbraw/zinc/55/06/68/806550668.db2.gz YSUYKGHMQCSIAN-PECIQYQJSA-N 2 1 288.410 3.272 20 0 CGADMP CC1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135809 806551584 /nfs/dbraw/zinc/55/15/84/806551584.db2.gz FRGKCASRQUMNHD-BCDXTJNWSA-N 2 1 270.420 3.134 20 0 CGADMP CCCCc1nc(NC[C@H]2CCC[NH2+]C[C@@H]2C)cc(C)[nH+]1 ZINC001162462204 806589910 /nfs/dbraw/zinc/58/99/10/806589910.db2.gz UHYWHOULLLAABR-DZGCQCFKSA-N 2 1 290.455 3.175 20 0 CGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCC(C)(C)CC1 ZINC001255301617 806600446 /nfs/dbraw/zinc/60/04/46/806600446.db2.gz OGRHAAIEGRCLJQ-UHFFFAOYSA-N 3 1 297.531 3.431 20 0 CGADMP [NH3+]Cc1ccn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255394569 806632478 /nfs/dbraw/zinc/63/24/78/806632478.db2.gz VYZZQNBJXCBSAT-GOSISDBHSA-N 2 1 283.419 3.174 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001255453145 806642404 /nfs/dbraw/zinc/64/24/04/806642404.db2.gz AGGMOAIIQLYBFN-XOKHGSTOSA-N 2 1 278.415 3.219 20 0 CGADMP CCCOc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000037996788 798883593 /nfs/dbraw/zinc/88/35/93/798883593.db2.gz XQHYULLZUIGQPQ-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)CC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC001255671231 806701585 /nfs/dbraw/zinc/70/15/85/806701585.db2.gz JFXNWJYOLUOUAS-ALOPSCKCSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)CC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001255671231 806701590 /nfs/dbraw/zinc/70/15/90/806701590.db2.gz JFXNWJYOLUOUAS-ALOPSCKCSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001255736503 806727014 /nfs/dbraw/zinc/72/70/14/806727014.db2.gz ANCXVTQJPJBWSG-ZENOOKHLSA-N 2 1 296.455 3.236 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001255736503 806727018 /nfs/dbraw/zinc/72/70/18/806727018.db2.gz ANCXVTQJPJBWSG-ZENOOKHLSA-N 2 1 296.455 3.236 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C1CC(OC(C)(C)C)C1 ZINC000341628591 799288510 /nfs/dbraw/zinc/28/85/10/799288510.db2.gz RVEKCHNSZMAUIQ-QQFBHYJXSA-N 2 1 282.472 3.139 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C1CC(OC(C)(C)C)C1 ZINC000341628591 799288514 /nfs/dbraw/zinc/28/85/14/799288514.db2.gz RVEKCHNSZMAUIQ-QQFBHYJXSA-N 2 1 282.472 3.139 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C1CC(OC(C)(C)C)C1 ZINC000341628591 799288519 /nfs/dbraw/zinc/28/85/19/799288519.db2.gz RVEKCHNSZMAUIQ-QQFBHYJXSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@@H](CC[NH2+][C@@H]1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000379655297 799351990 /nfs/dbraw/zinc/35/19/90/799351990.db2.gz LJKJKVCUPNJQKB-LZLYRXPVSA-N 2 1 290.451 3.054 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+](C)CCC[NH+](C)C)cc1 ZINC001255761761 806739651 /nfs/dbraw/zinc/73/96/51/806739651.db2.gz RLLLBQXBWKAXLX-OAHLLOKOSA-N 2 1 280.481 3.359 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001255761761 806739654 /nfs/dbraw/zinc/73/96/54/806739654.db2.gz RLLLBQXBWKAXLX-OAHLLOKOSA-N 2 1 280.481 3.359 20 0 CGADMP C[C@@]1(C[NH2+]C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380941299 799368662 /nfs/dbraw/zinc/36/86/62/799368662.db2.gz MQGBQOKXTYRJGB-SFHVURJKSA-N 2 1 272.436 3.431 20 0 CGADMP Cc1cc(C)[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001163356213 806744412 /nfs/dbraw/zinc/74/44/12/806744412.db2.gz AJLJPGZVNBBHFO-HIFRSBDPSA-N 2 1 261.413 3.229 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000381860215 799388558 /nfs/dbraw/zinc/38/85/58/799388558.db2.gz MDHKBQOZBFIMSG-CHQKBHSXSA-N 2 1 264.457 3.260 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2[nH+]ccc3c2ccn3C)[C@@H](C)C1 ZINC001163361324 806746064 /nfs/dbraw/zinc/74/60/64/806746064.db2.gz IFSOAISTPBUSNV-ZFWWWQNUSA-N 2 1 286.423 3.104 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000383819554 799408426 /nfs/dbraw/zinc/40/84/26/799408426.db2.gz HKDNIABHJYNSOS-GOSISDBHSA-N 2 1 290.451 3.044 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000386221170 799433414 /nfs/dbraw/zinc/43/34/14/799433414.db2.gz OKKCTEAJKUUYQC-QGLXBCBXSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000386221170 799433416 /nfs/dbraw/zinc/43/34/16/799433416.db2.gz OKKCTEAJKUUYQC-QGLXBCBXSA-N 2 1 284.447 3.254 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c2ccccc12 ZINC000388463158 799454173 /nfs/dbraw/zinc/45/41/73/799454173.db2.gz HNNXOWZAARMRTN-HUUCEWRRSA-N 2 1 298.430 3.408 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cc(C)nc(Cl)c2)CC1 ZINC000401922302 799559485 /nfs/dbraw/zinc/55/94/85/799559485.db2.gz JSZSPNBOXNDKIZ-UHFFFAOYSA-N 2 1 281.831 3.007 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403312333 799565339 /nfs/dbraw/zinc/56/53/39/799565339.db2.gz YZCNRTMIPLXOIH-QWHCGFSZSA-N 2 1 262.388 3.119 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000469991892 799646450 /nfs/dbraw/zinc/64/64/50/799646450.db2.gz LAJIFOHJWYMRAG-NVXWUHKLSA-N 2 1 288.479 3.443 20 0 CGADMP CCC[C@@H](C)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687953908 799741119 /nfs/dbraw/zinc/74/11/19/799741119.db2.gz NQVKBOCOZBUEBO-LLVKDONJSA-N 2 1 252.427 3.014 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687962831 799742917 /nfs/dbraw/zinc/74/29/17/799742917.db2.gz PEMWZTTVNHIMPP-AWEZNQCLSA-N 2 1 264.438 3.014 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCC[NH2+]C1 ZINC000697002209 799842467 /nfs/dbraw/zinc/84/24/67/799842467.db2.gz ZLDLCGGHJFHFJD-AWEZNQCLSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000697919000 799851551 /nfs/dbraw/zinc/85/15/51/799851551.db2.gz FLJBVIPAIMXSIJ-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNCc1ccc(Cl)cn1 ZINC000703861728 799931995 /nfs/dbraw/zinc/93/19/95/799931995.db2.gz XDJQHWKZTZZBMU-ZDUSSCGKSA-N 2 1 281.831 3.089 20 0 CGADMP C[C@H]1CCCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000705634872 799952622 /nfs/dbraw/zinc/95/26/22/799952622.db2.gz XWSKQSIDEKULQA-LBPRGKRZSA-N 2 1 264.438 3.016 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1 ZINC001255947836 806793894 /nfs/dbraw/zinc/79/38/94/806793894.db2.gz XHEIGSNABWLLCP-BBRMVZONSA-N 2 1 298.858 3.083 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCC(C)(C)C1 ZINC000709632078 800010511 /nfs/dbraw/zinc/01/05/11/800010511.db2.gz OAGFVFASNMGNBR-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710768356 800038651 /nfs/dbraw/zinc/03/86/51/800038651.db2.gz WEZLPZGWJMSOCH-UHFFFAOYSA-N 2 1 252.377 3.085 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000710827617 800040050 /nfs/dbraw/zinc/04/00/50/800040050.db2.gz FISDTVWOPPOBMQ-GFCCVEGCSA-N 2 1 270.367 3.477 20 0 CGADMP C[N@H+](CCCCCC[NH3+])Cc1csc(C(C)(C)C)n1 ZINC000710835999 800040449 /nfs/dbraw/zinc/04/04/49/800040449.db2.gz FRWYYAJKJYPIHI-UHFFFAOYSA-N 2 1 283.485 3.392 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1csc(C(C)(C)C)n1 ZINC000710835999 800040454 /nfs/dbraw/zinc/04/04/54/800040454.db2.gz FRWYYAJKJYPIHI-UHFFFAOYSA-N 2 1 283.485 3.392 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1cccs1 ZINC001255962563 806799603 /nfs/dbraw/zinc/79/96/03/806799603.db2.gz XBXUXNGZZJPPGI-CYBMUJFWSA-N 2 1 254.443 3.300 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1cccs1 ZINC001255962563 806799607 /nfs/dbraw/zinc/79/96/07/806799607.db2.gz XBXUXNGZZJPPGI-CYBMUJFWSA-N 2 1 254.443 3.300 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001255959883 806800307 /nfs/dbraw/zinc/80/03/07/806800307.db2.gz PJKUDVPVHGKIPB-MCIONIFRSA-N 2 1 274.399 3.084 20 0 CGADMP C[C@@H]1c2sccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000712353333 800083954 /nfs/dbraw/zinc/08/39/54/800083954.db2.gz PVGJOBVBNCWFEW-CYBMUJFWSA-N 2 1 278.465 3.447 20 0 CGADMP C[C@H]1c2sccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000712353334 800084466 /nfs/dbraw/zinc/08/44/66/800084466.db2.gz PVGJOBVBNCWFEW-ZDUSSCGKSA-N 2 1 278.465 3.447 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCc1ccc(F)cc1 ZINC001255964915 806802077 /nfs/dbraw/zinc/80/20/77/806802077.db2.gz WCJGGIGOMKKCIR-HNNXBMFYSA-N 2 1 280.431 3.420 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716654746 800177512 /nfs/dbraw/zinc/17/75/12/800177512.db2.gz KTRMPGVXUGCKJO-DKIMLUQUSA-N 2 1 290.426 3.377 20 0 CGADMP Clc1cccc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256069140 806809561 /nfs/dbraw/zinc/80/95/61/806809561.db2.gz SAEXEQZXZNHHOS-DLBZAZTESA-N 2 1 290.838 3.412 20 0 CGADMP COc1cccc([C@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256073855 806812245 /nfs/dbraw/zinc/81/22/45/806812245.db2.gz GCQKARYXAAIMRI-CQSZACIVSA-N 2 1 288.435 3.015 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C(F)(F)F ZINC000720888860 800270576 /nfs/dbraw/zinc/27/05/76/800270576.db2.gz NNSWCICKAZHSMO-UONOGXRCSA-N 2 1 292.389 3.416 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2Cc3ccccc3C[C@@H]2CN)C1 ZINC000721525987 800292043 /nfs/dbraw/zinc/29/20/43/800292043.db2.gz TXMJICJAWQJPSX-DLBZAZTESA-N 2 1 272.436 3.341 20 0 CGADMP CC1(C)CCC[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C1 ZINC000721525987 800292046 /nfs/dbraw/zinc/29/20/46/800292046.db2.gz TXMJICJAWQJPSX-DLBZAZTESA-N 2 1 272.436 3.341 20 0 CGADMP CCCC[C@H](CC)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721640355 800299231 /nfs/dbraw/zinc/29/92/31/800299231.db2.gz KEHXXHJOVWCBNI-DLBZAZTESA-N 2 1 260.425 3.341 20 0 CGADMP CCCC[C@H](CC)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721640355 800299235 /nfs/dbraw/zinc/29/92/35/800299235.db2.gz KEHXXHJOVWCBNI-DLBZAZTESA-N 2 1 260.425 3.341 20 0 CGADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256107083 806821346 /nfs/dbraw/zinc/82/13/46/806821346.db2.gz SXJULDPDHJGWKL-NJAFHUGGSA-N 2 1 272.436 3.254 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000723695974 800337934 /nfs/dbraw/zinc/33/79/34/800337934.db2.gz RBIQBVHKQFNDNZ-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCc3ccccc3[C@H](C)C2)[nH]1 ZINC000724792119 800367111 /nfs/dbraw/zinc/36/71/11/800367111.db2.gz NFCRQGBDANEQKP-GFCCVEGCSA-N 2 1 269.392 3.188 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000725123096 800374522 /nfs/dbraw/zinc/37/45/22/800374522.db2.gz JNWFMPHBIZMTDI-IAGOWNOFSA-N 2 1 290.476 3.266 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000725123096 800374528 /nfs/dbraw/zinc/37/45/28/800374528.db2.gz JNWFMPHBIZMTDI-IAGOWNOFSA-N 2 1 290.476 3.266 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256120508 806827442 /nfs/dbraw/zinc/82/74/42/806827442.db2.gz DMVGPKBCKKAPKL-INDMIFKZSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256120508 806827449 /nfs/dbraw/zinc/82/74/49/806827449.db2.gz DMVGPKBCKKAPKL-INDMIFKZSA-N 2 1 284.447 3.206 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1Cl ZINC000821988431 800458925 /nfs/dbraw/zinc/45/89/25/800458925.db2.gz IULFWBUYCPWQKP-SRVKXCTJSA-N 2 1 252.789 3.131 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2F)CC1 ZINC001256199129 806847046 /nfs/dbraw/zinc/84/70/46/806847046.db2.gz JCULYZWVKUMPIC-KRWDZBQOSA-N 2 1 276.399 3.351 20 0 CGADMP C[NH+]1CCC([NH2+]CC2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001256201888 806848723 /nfs/dbraw/zinc/84/87/23/806848723.db2.gz SBNZUKHWCSDGHC-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP CN1CCC([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001256208635 806849522 /nfs/dbraw/zinc/84/95/22/806849522.db2.gz KNVJROFPIIFUNB-CQSZACIVSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001256208635 806849532 /nfs/dbraw/zinc/84/95/32/806849532.db2.gz KNVJROFPIIFUNB-CQSZACIVSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001256208635 806849541 /nfs/dbraw/zinc/84/95/41/806849541.db2.gz KNVJROFPIIFUNB-CQSZACIVSA-N 2 1 278.827 3.224 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256541689 806912465 /nfs/dbraw/zinc/91/24/65/806912465.db2.gz MPZGISDPOZMFNO-SOLBZPMBSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256541689 806912468 /nfs/dbraw/zinc/91/24/68/806912468.db2.gz MPZGISDPOZMFNO-SOLBZPMBSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256541689 806912473 /nfs/dbraw/zinc/91/24/73/806912473.db2.gz MPZGISDPOZMFNO-SOLBZPMBSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256541689 806912477 /nfs/dbraw/zinc/91/24/77/806912477.db2.gz MPZGISDPOZMFNO-SOLBZPMBSA-N 2 1 272.436 3.381 20 0 CGADMP Cc1nc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)s1 ZINC001256551568 806915063 /nfs/dbraw/zinc/91/50/63/806915063.db2.gz UARPMPDHKPEZHV-UHFFFAOYSA-N 2 1 293.480 3.068 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CC3)CC2)CC1 ZINC001256569345 806918360 /nfs/dbraw/zinc/91/83/60/806918360.db2.gz BKCVNMAMZYSSIM-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001256616552 806926581 /nfs/dbraw/zinc/92/65/81/806926581.db2.gz WBOYJLOFCXIZEY-NPYXIHBLSA-N 2 1 273.424 3.138 20 0 CGADMP C[C@H](Cc1ccncc1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256733031 806963122 /nfs/dbraw/zinc/96/31/22/806963122.db2.gz VBNPOQWFKZJKLD-QGPMSJSTSA-N 2 1 287.451 3.137 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001116507805 802368268 /nfs/dbraw/zinc/36/82/68/802368268.db2.gz UTHCSPWTXWRQBI-UHFFFAOYSA-N 2 1 292.442 3.420 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172382445 808274990 /nfs/dbraw/zinc/27/49/90/808274990.db2.gz LGKAJHCHGBBQJS-IJEWVQPXSA-N 2 1 252.446 3.227 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC1CCC(C)(C)CC1 ZINC001181506909 810057002 /nfs/dbraw/zinc/05/70/02/810057002.db2.gz WVLCNVFYVCMAKQ-UHFFFAOYSA-N 2 1 254.462 3.476 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC001120071210 802733057 /nfs/dbraw/zinc/73/30/57/802733057.db2.gz GUDHHNYVDYTYTO-CXQPBAHBSA-N 2 1 298.474 3.452 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894854 807000978 /nfs/dbraw/zinc/00/09/78/807000978.db2.gz NFZGQSSURIQOHQ-OFQRWUPVSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894854 807000988 /nfs/dbraw/zinc/00/09/88/807000988.db2.gz NFZGQSSURIQOHQ-OFQRWUPVSA-N 2 1 250.430 3.172 20 0 CGADMP CCC1(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CCOCC1 ZINC001256907903 807007733 /nfs/dbraw/zinc/00/77/33/807007733.db2.gz HLPZKBRQDCXZLB-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP CCC1(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CCOCC1 ZINC001256907903 807007740 /nfs/dbraw/zinc/00/77/40/807007740.db2.gz HLPZKBRQDCXZLB-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP [NH3+]Cc1ccc2ncn([C@@H]3CCC[N@H+](C4CCCC4)C3)c2c1 ZINC001256903260 807004845 /nfs/dbraw/zinc/00/48/45/807004845.db2.gz ZRLOXUJAENFNPJ-MRXNPFEDSA-N 2 1 298.434 3.075 20 0 CGADMP Cc1csc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205306749 812944703 /nfs/dbraw/zinc/94/47/03/812944703.db2.gz ZPTUVZPNTDKANV-KOLCDFICSA-N 2 1 272.845 3.127 20 0 CGADMP Cc1csc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205306749 812944708 /nfs/dbraw/zinc/94/47/08/812944708.db2.gz ZPTUVZPNTDKANV-KOLCDFICSA-N 2 1 272.845 3.127 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205074686 812848416 /nfs/dbraw/zinc/84/84/16/812848416.db2.gz AEZFLPIMKWVWHP-HOCLYGCPSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205074686 812848424 /nfs/dbraw/zinc/84/84/24/812848424.db2.gz AEZFLPIMKWVWHP-HOCLYGCPSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206812276 813443866 /nfs/dbraw/zinc/44/38/66/813443866.db2.gz YYHNVCCFJCTLMO-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cccc2c1C[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208183767 813735292 /nfs/dbraw/zinc/73/52/92/813735292.db2.gz GETWMMKROHZSNP-UHFFFAOYSA-N 2 1 272.436 3.433 20 0 CGADMP Cc1cccc2c1C[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208183767 813735294 /nfs/dbraw/zinc/73/52/94/813735294.db2.gz GETWMMKROHZSNP-UHFFFAOYSA-N 2 1 272.436 3.433 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)c[nH]c2c1 ZINC001136975009 803665548 /nfs/dbraw/zinc/66/55/48/803665548.db2.gz WMZJXVOGZKDLDM-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc(F)nc1 ZINC001137741634 803767068 /nfs/dbraw/zinc/76/70/68/803767068.db2.gz MACAEQMLARHQQG-HOTGVXAUSA-N 2 1 291.414 3.060 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(F)c1F ZINC001137968958 803810935 /nfs/dbraw/zinc/81/09/35/803810935.db2.gz ZFAWTZROVULEFO-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP CC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138545347 803963996 /nfs/dbraw/zinc/96/39/96/803963996.db2.gz VNYMYMNTXWAFPW-CYBMUJFWSA-N 2 1 257.381 3.411 20 0 CGADMP CC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138545347 803964004 /nfs/dbraw/zinc/96/40/04/803964004.db2.gz VNYMYMNTXWAFPW-CYBMUJFWSA-N 2 1 257.381 3.411 20 0 CGADMP COCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138543584 803964966 /nfs/dbraw/zinc/96/49/66/803964966.db2.gz PVHONBIQBPEDIG-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1c(C)cccc1Cl ZINC001138721606 804017513 /nfs/dbraw/zinc/01/75/13/804017513.db2.gz AHZVBZAVHWONHU-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP COc1cc(C)c(C[NH+]2CCC([NH+](C)C)CC2)c(C)c1C ZINC001138723888 804021278 /nfs/dbraw/zinc/02/12/78/804021278.db2.gz XMPWUQFGFKGWJQ-UHFFFAOYSA-N 2 1 290.451 3.146 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246094105 804126646 /nfs/dbraw/zinc/12/66/46/804126646.db2.gz HDMSYLIIZMCRHA-UONOGXRCSA-N 2 1 282.378 3.365 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246099009 804131399 /nfs/dbraw/zinc/13/13/99/804131399.db2.gz USIMEVYNEQAQKZ-IAGOWNOFSA-N 2 1 260.425 3.130 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)CCC[NH+](C)C ZINC001139152167 804140636 /nfs/dbraw/zinc/14/06/36/804140636.db2.gz QYDNUWYWHLJWHN-UHFFFAOYSA-N 2 1 273.424 3.045 20 0 CGADMP CCCC[C@H](CCC)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246111809 804143675 /nfs/dbraw/zinc/14/36/75/804143675.db2.gz JSKCAHPSJCVICW-LSDHHAIUSA-N 2 1 258.425 3.417 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246117016 804148493 /nfs/dbraw/zinc/14/84/93/804148493.db2.gz YUGNVCMVRUXGKJ-RRFJBIMHSA-N 2 1 258.425 3.273 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246121003 804151161 /nfs/dbraw/zinc/15/11/61/804151161.db2.gz VDOFYEBUCFYFAV-KGLIPLIRSA-N 2 1 296.480 3.412 20 0 CGADMP CCCCC[C@@H](CC)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160426 804177358 /nfs/dbraw/zinc/17/73/58/804177358.db2.gz MWCSVMQGFZQRJG-IXDOHACOSA-N 2 1 282.472 3.236 20 0 CGADMP F[C@@]1(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246181684 804195546 /nfs/dbraw/zinc/19/55/46/804195546.db2.gz RMNHPTHRQLRZPN-SQNIBIBYSA-N 2 1 290.426 3.394 20 0 CGADMP CCC(CC)([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccccc1 ZINC001246185637 804197269 /nfs/dbraw/zinc/19/72/69/804197269.db2.gz WHYDZSOFYTZTRG-GDBMZVCRSA-N 2 1 260.425 3.432 20 0 CGADMP CCC(CC)([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC001246185637 804197270 /nfs/dbraw/zinc/19/72/70/804197270.db2.gz WHYDZSOFYTZTRG-GDBMZVCRSA-N 2 1 260.425 3.432 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246189510 804199928 /nfs/dbraw/zinc/19/99/28/804199928.db2.gz NASSTUXKLDXSDX-NHYWBVRUSA-N 2 1 284.806 3.142 20 0 CGADMP CC[C@@H]1CC(NCCC[N@H+]2CCCC[C@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246193598 804201482 /nfs/dbraw/zinc/20/14/82/804201482.db2.gz BIKIPNVIZJWXEH-BRWVUGGUSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1CC([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246193598 804201492 /nfs/dbraw/zinc/20/14/92/804201492.db2.gz BIKIPNVIZJWXEH-BRWVUGGUSA-N 3 1 295.515 3.150 20 0 CGADMP CC[C@@H]1CC([NH2+]CCC[N@H+]2CCCC[C@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246193598 804201500 /nfs/dbraw/zinc/20/15/00/804201500.db2.gz BIKIPNVIZJWXEH-BRWVUGGUSA-N 3 1 295.515 3.150 20 0 CGADMP CCCC[C@@H](CC)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246220579 804215091 /nfs/dbraw/zinc/21/50/91/804215091.db2.gz LJKXBLVJZGEPJW-CHWSQXEVSA-N 2 1 262.388 3.180 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246197043 804203524 /nfs/dbraw/zinc/20/35/24/804203524.db2.gz XVHXDHUYCITXCH-ZACQAIPSSA-N 2 1 295.515 3.007 20 0 CGADMP CCCCC[C@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246219057 804214060 /nfs/dbraw/zinc/21/40/60/804214060.db2.gz FHXUWZAZJVHOBQ-QWHCGFSZSA-N 2 1 262.388 3.180 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246220549 804215436 /nfs/dbraw/zinc/21/54/36/804215436.db2.gz LHXOSXUHMYNNST-JKSUJKDBSA-N 2 1 296.405 3.232 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)C1 ZINC001246221862 804215811 /nfs/dbraw/zinc/21/58/11/804215811.db2.gz OTRXTXIGRGMFEK-TZMCWYRMSA-N 2 1 274.399 3.180 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)cc1 ZINC001246224139 804219266 /nfs/dbraw/zinc/21/92/66/804219266.db2.gz ZRXCDCGUZDIJPB-HOCLYGCPSA-N 2 1 296.405 3.151 20 0 CGADMP CCCCC[C@H](CC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246226132 804220793 /nfs/dbraw/zinc/22/07/93/804220793.db2.gz FKLWNZWINWRNKG-STQMWFEESA-N 2 1 262.388 3.180 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1CC ZINC001139618623 804230610 /nfs/dbraw/zinc/23/06/10/804230610.db2.gz DNXAKMAWKOPHMU-UHFFFAOYSA-N 2 1 290.451 3.174 20 0 CGADMP CCOc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1CC ZINC001139618623 804230622 /nfs/dbraw/zinc/23/06/22/804230622.db2.gz DNXAKMAWKOPHMU-UHFFFAOYSA-N 2 1 290.451 3.174 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1CC ZINC001139618623 804230629 /nfs/dbraw/zinc/23/06/29/804230629.db2.gz DNXAKMAWKOPHMU-UHFFFAOYSA-N 2 1 290.451 3.174 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC001246239358 804231391 /nfs/dbraw/zinc/23/13/91/804231391.db2.gz NAYIQMUVUIAJHO-SWLSCSKDSA-N 2 1 278.827 3.102 20 0 CGADMP CCC1CCC(C2CCC([NH2+]C[C@H]([NH3+])COC)CC2)CC1 ZINC001246239978 804232552 /nfs/dbraw/zinc/23/25/52/804232552.db2.gz LENCKQUOCXFMCF-LESVLKBLSA-N 2 1 296.499 3.325 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246288365 804261034 /nfs/dbraw/zinc/26/10/34/804261034.db2.gz QFTZVTYMUVHYHN-GFCCVEGCSA-N 2 1 266.816 3.132 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC001246299982 804266663 /nfs/dbraw/zinc/26/66/63/804266663.db2.gz NSUZMYLTFPMJEL-HSALFYBXSA-N 2 1 294.442 3.482 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)c2ccccc2Cl)CC[NH2+]1 ZINC001246314481 804275964 /nfs/dbraw/zinc/27/59/64/804275964.db2.gz XSHWSWNLCQGZHE-RYUDHWBXSA-N 2 1 266.816 3.305 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246328998 804284576 /nfs/dbraw/zinc/28/45/76/804284576.db2.gz LCCKIIKCPVSQJK-DOMZBBRYSA-N 2 1 280.843 3.249 20 0 CGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246332600 804288305 /nfs/dbraw/zinc/28/83/05/804288305.db2.gz QJQIZUGBBQAKNY-IKGGRYGDSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C[NH2+]1 ZINC001246382958 804313955 /nfs/dbraw/zinc/31/39/55/804313955.db2.gz GOLQVNWZZOMNFI-IUODEOHRSA-N 2 1 278.827 3.003 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C[NH2+]1 ZINC001246382959 804314376 /nfs/dbraw/zinc/31/43/76/804314376.db2.gz GOLQVNWZZOMNFI-SWLSCSKDSA-N 2 1 278.827 3.003 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246489231 804357131 /nfs/dbraw/zinc/35/71/31/804357131.db2.gz PDAXLISJFXHIFF-KBPBESRZSA-N 2 1 274.399 3.346 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246495697 804360431 /nfs/dbraw/zinc/36/04/31/804360431.db2.gz ASYBGQWSYZWYKI-SIVJFFJCSA-N 2 1 280.362 3.072 20 0 CGADMP CCCCCC1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001246502220 804364041 /nfs/dbraw/zinc/36/40/41/804364041.db2.gz GNBIGNDHXIAZGP-SSNHOHEISA-N 2 1 264.457 3.323 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC001246520142 804374016 /nfs/dbraw/zinc/37/40/16/804374016.db2.gz QYWQAMGOJDFBOI-ZWKOTPCHSA-N 2 1 272.436 3.356 20 0 CGADMP CC[C@H]1CC[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246522244 804376789 /nfs/dbraw/zinc/37/67/89/804376789.db2.gz JAMIYBRJKSWIAG-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246523150 804378588 /nfs/dbraw/zinc/37/85/88/804378588.db2.gz WUHFZWYQVLKVKU-SJORKVTESA-N 2 1 260.425 3.285 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246530258 804380164 /nfs/dbraw/zinc/38/01/64/804380164.db2.gz KVZAZVWLYHLJPO-RBUKOAKNSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246533683 804382609 /nfs/dbraw/zinc/38/26/09/804382609.db2.gz WOWIENIHDRWKPG-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246543575 804390557 /nfs/dbraw/zinc/39/05/57/804390557.db2.gz ULNIROSZRXOGOQ-CVEARBPZSA-N 2 1 278.827 3.011 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C[C@@H]1C[NH3+] ZINC001246547042 804394742 /nfs/dbraw/zinc/39/47/42/804394742.db2.gz AJUQTNMYSJDNQV-VHDGCEQUSA-N 2 1 292.854 3.114 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCCCCCC2)CC1 ZINC001246546300 804395979 /nfs/dbraw/zinc/39/59/79/804395979.db2.gz GCMOVVZORIBUBJ-OAHLLOKOSA-N 2 1 256.409 3.252 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246547035 804396218 /nfs/dbraw/zinc/39/62/18/804396218.db2.gz AICJOPKTFWKFSJ-UPJWGTAASA-N 2 1 298.833 3.327 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246547035 804396223 /nfs/dbraw/zinc/39/62/23/804396223.db2.gz AICJOPKTFWKFSJ-UPJWGTAASA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246550834 804401170 /nfs/dbraw/zinc/40/11/70/804401170.db2.gz ONCUZUNAIBQVPS-BBRMVZONSA-N 2 1 298.833 3.424 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552193 804402367 /nfs/dbraw/zinc/40/23/67/804402367.db2.gz SWDHZNGKAVCEQQ-IRXDYDNUSA-N 2 1 278.415 3.161 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246554072 804403862 /nfs/dbraw/zinc/40/38/62/804403862.db2.gz AYMCFJPGQJQBCM-KSZLIROESA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C[C@H]1C[NH3+] ZINC001246553794 804404027 /nfs/dbraw/zinc/40/40/27/804404027.db2.gz UUAWKRSODNVYIZ-VMGRFDJRSA-N 2 1 292.854 3.114 20 0 CGADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CCC1(F)F ZINC001246557089 804405836 /nfs/dbraw/zinc/40/58/36/804405836.db2.gz LAIKUALGHPVFTK-PMPSAXMXSA-N 2 1 294.389 3.239 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557512 804406502 /nfs/dbraw/zinc/40/65/02/804406502.db2.gz LXEDHWJOXLHDAE-STQMWFEESA-N 2 1 262.388 3.261 20 0 CGADMP CCCCCC1CCC([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246564173 804414073 /nfs/dbraw/zinc/41/40/73/804414073.db2.gz WEKBUHUJFDAQDB-ABHNRTSZSA-N 2 1 296.499 3.301 20 0 CGADMP CCCCCC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)C2)CC1 ZINC001246567216 804415217 /nfs/dbraw/zinc/41/52/17/804415217.db2.gz WFDXDUDOWCGFEF-QDIHITRGSA-N 2 1 270.436 3.497 20 0 CGADMP CCCCCC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)C2)CC1 ZINC001246567216 804415220 /nfs/dbraw/zinc/41/52/20/804415220.db2.gz WFDXDUDOWCGFEF-QDIHITRGSA-N 2 1 270.436 3.497 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCCC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246571830 804418576 /nfs/dbraw/zinc/41/85/76/804418576.db2.gz XANHQACOYRJUCR-QLFBSQMISA-N 2 1 252.446 3.262 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246572428 804419487 /nfs/dbraw/zinc/41/94/87/804419487.db2.gz HALOFLNIGNATEO-ILXRZTDVSA-N 2 1 256.409 3.121 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246572428 804419488 /nfs/dbraw/zinc/41/94/88/804419488.db2.gz HALOFLNIGNATEO-ILXRZTDVSA-N 2 1 256.409 3.121 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246571230 804419623 /nfs/dbraw/zinc/41/96/23/804419623.db2.gz LLOSPHXQNUHDQD-KFESYUHLSA-N 2 1 264.457 3.418 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246573017 804421229 /nfs/dbraw/zinc/42/12/29/804421229.db2.gz YNVJPWUCYYBROE-CIDNJEQPSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCC3(CC3)CC2)CC1 ZINC001246573089 804421494 /nfs/dbraw/zinc/42/14/94/804421494.db2.gz FOEOAOXXKIGYMT-HNNXBMFYSA-N 2 1 250.430 3.160 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246577337 804424690 /nfs/dbraw/zinc/42/46/90/804424690.db2.gz OONSUFNAHRNHMO-PMPSAXMXSA-N 2 1 270.461 3.031 20 0 CGADMP CC1(C)CCC[C@@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246585220 804427371 /nfs/dbraw/zinc/42/73/71/804427371.db2.gz ZJBMABFUTBOFOX-UKRRQHHQSA-N 2 1 256.409 3.108 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246585220 804427373 /nfs/dbraw/zinc/42/73/73/804427373.db2.gz ZJBMABFUTBOFOX-UKRRQHHQSA-N 2 1 256.409 3.108 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598860 804438875 /nfs/dbraw/zinc/43/88/75/804438875.db2.gz BJLJQMRQRQYZQA-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]23CCC[NH2+]C3)CC(C)(C)C1 ZINC001246602086 804439959 /nfs/dbraw/zinc/43/99/59/804439959.db2.gz IYOAKHDLFZFADL-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+]1CCC(c2ccc(Nc3ccc[nH+]c3N)cc2)CC1 ZINC001212399860 815018256 /nfs/dbraw/zinc/01/82/56/815018256.db2.gz MUQBQQKGRAIQBQ-UHFFFAOYSA-N 2 1 282.391 3.217 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246607472 804442839 /nfs/dbraw/zinc/44/28/39/804442839.db2.gz DXDNYHRUEZCODI-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246611599 804445673 /nfs/dbraw/zinc/44/56/73/804445673.db2.gz UYOBYVSEOFPKCT-PBHICJAKSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246611666 804446326 /nfs/dbraw/zinc/44/63/26/804446326.db2.gz VBTHNTLVJYEOPI-WBVHZDCISA-N 2 1 264.457 3.421 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613938 804447995 /nfs/dbraw/zinc/44/79/95/804447995.db2.gz LTKYOLRDNIKJBY-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613938 804447998 /nfs/dbraw/zinc/44/79/98/804447998.db2.gz LTKYOLRDNIKJBY-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC001246617716 804451332 /nfs/dbraw/zinc/45/13/32/804451332.db2.gz DSKKEMWBBGBFIJ-ZBFHGGJFSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246619086 804453209 /nfs/dbraw/zinc/45/32/09/804453209.db2.gz HGPFTOIWUGLMSA-JKSUJKDBSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246619086 804453214 /nfs/dbraw/zinc/45/32/14/804453214.db2.gz HGPFTOIWUGLMSA-JKSUJKDBSA-N 2 1 250.430 3.339 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246621207 804454042 /nfs/dbraw/zinc/45/40/42/804454042.db2.gz FGZPCXFJWIQEQR-AWEZNQCLSA-N 2 1 292.854 3.489 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246621059 804454056 /nfs/dbraw/zinc/45/40/56/804454056.db2.gz CYFCPJQZFFMDSC-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCC[NH2+]3)CC2)CC(C)(C)C1 ZINC001246623041 804454888 /nfs/dbraw/zinc/45/48/88/804454888.db2.gz JLWIFQIEZLWFEL-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246630986 804460604 /nfs/dbraw/zinc/46/06/04/804460604.db2.gz QKOYMHQDXZYHIT-VQIMIIECSA-N 2 1 286.463 3.256 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246632462 804462451 /nfs/dbraw/zinc/46/24/51/804462451.db2.gz VNLIEXWHOVOGJB-OFLPRAFFSA-N 2 1 264.457 3.421 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632571 804462928 /nfs/dbraw/zinc/46/29/28/804462928.db2.gz XKIXJLDHCUKWCY-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246633672 804464344 /nfs/dbraw/zinc/46/43/44/804464344.db2.gz LRWACYUEIOMKGY-PMPSAXMXSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)C[C@H]1C ZINC001246634822 804465565 /nfs/dbraw/zinc/46/55/65/804465565.db2.gz AXRPOINIUVSKIH-KBXIAJHMSA-N 2 1 286.410 3.132 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246640389 804467558 /nfs/dbraw/zinc/46/75/58/804467558.db2.gz UBSDMHUJPHYLTP-CSODTCANSA-N 2 1 284.447 3.224 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246643227 804470506 /nfs/dbraw/zinc/47/05/06/804470506.db2.gz WYHSWXUTQGTIKB-IPMKNSEASA-N 2 1 286.463 3.328 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246643961 804470862 /nfs/dbraw/zinc/47/08/62/804470862.db2.gz ONMWTUFRNWVQJZ-HKUYNNGSSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246643961 804470863 /nfs/dbraw/zinc/47/08/63/804470863.db2.gz ONMWTUFRNWVQJZ-HKUYNNGSSA-N 2 1 284.447 3.070 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246644357 804472259 /nfs/dbraw/zinc/47/22/59/804472259.db2.gz GTDXPGSLFUIEOP-MKFDVMFOSA-N 2 1 270.420 3.136 20 0 CGADMP C1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246644638 804472273 /nfs/dbraw/zinc/47/22/73/804472273.db2.gz ILVJPPSFQDZUBZ-HRCADAONSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC23CC[NH2+]CC3)CC(C)(C)C1 ZINC001246644093 804472465 /nfs/dbraw/zinc/47/24/65/804472465.db2.gz VKKIDUKXVWJOGL-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246644372 804472725 /nfs/dbraw/zinc/47/27/25/804472725.db2.gz HCJGIXJTSUVSNC-LXPRWKDFSA-N 2 1 272.436 3.211 20 0 CGADMP CCCC[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246646749 804474016 /nfs/dbraw/zinc/47/40/16/804474016.db2.gz QCIYPAKLNNEGJL-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246648080 804474981 /nfs/dbraw/zinc/47/49/81/804474981.db2.gz OILGHQIKHCNQQS-AKHDSKFASA-N 2 1 284.447 3.254 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246652019 804478859 /nfs/dbraw/zinc/47/88/59/804478859.db2.gz NTNCVYKDRJVUDY-AZUAARDMSA-N 2 1 298.474 3.460 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246654168 804480165 /nfs/dbraw/zinc/48/01/65/804480165.db2.gz VHMKBPJEDFERLZ-VSZNYVQBSA-N 2 1 270.420 3.007 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656167 804480585 /nfs/dbraw/zinc/48/05/85/804480585.db2.gz MPOQDXQVBHMSSM-XUXIUFHCSA-N 2 1 292.389 3.285 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246656233 804480709 /nfs/dbraw/zinc/48/07/09/804480709.db2.gz CJIIIUZVAGPYMD-MHORFTMASA-N 2 1 272.436 3.209 20 0 CGADMP CC[C@H]1CC([N@H+]2C[C@@H]3CCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246659112 804483654 /nfs/dbraw/zinc/48/36/54/804483654.db2.gz FCXWZXIAKHAYKB-XGUBFFRZSA-N 2 1 250.430 3.028 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CCC(Cc2ccccc2)CC1 ZINC001246659600 804484182 /nfs/dbraw/zinc/48/41/82/804484182.db2.gz MEZXDHHOXXDVTN-ZBABMDLNSA-N 2 1 284.447 3.209 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246663306 804485813 /nfs/dbraw/zinc/48/58/13/804485813.db2.gz JEWOWCHNVYRROY-KSZLIROESA-N 2 1 272.436 3.224 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246663306 804485817 /nfs/dbraw/zinc/48/58/17/804485817.db2.gz JEWOWCHNVYRROY-KSZLIROESA-N 2 1 272.436 3.224 20 0 CGADMP CCC(CC)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246669522 804488058 /nfs/dbraw/zinc/48/80/58/804488058.db2.gz AZIKFUNDHCRAHY-QZTJIDSGSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@@H+](CCC[NH3+])C1CCC(Cc2ccccc2)CC1 ZINC001246678469 804492997 /nfs/dbraw/zinc/49/29/97/804492997.db2.gz FIILZMZUXNMHFS-UHFFFAOYSA-N 2 1 260.425 3.069 20 0 CGADMP C1[NH2+]CC1[C@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246678280 804493234 /nfs/dbraw/zinc/49/32/34/804493234.db2.gz LHTJOMPMKNKIBJ-DOTOQJQBSA-N 2 1 276.468 3.421 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)C[C@@H]21 ZINC001246679060 804494333 /nfs/dbraw/zinc/49/43/33/804494333.db2.gz RIGUJHWTGIAHOW-QUSNUVHPSA-N 2 1 276.468 3.133 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246681832 804494786 /nfs/dbraw/zinc/49/47/86/804494786.db2.gz RGGVRCONWIVLDS-OAHLLOKOSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246683089 804495488 /nfs/dbraw/zinc/49/54/88/804495488.db2.gz ZBPPQPSHBHOJQC-LBPRGKRZSA-N 2 1 298.833 3.342 20 0 CGADMP CCC(CC)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246687167 804497918 /nfs/dbraw/zinc/49/79/18/804497918.db2.gz VPMXGFHUXAKQCH-MSOLQXFVSA-N 2 1 272.436 3.254 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246777036 804506911 /nfs/dbraw/zinc/50/69/11/804506911.db2.gz PHDONMLDURKKGQ-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCOc3ccccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246786306 804511745 /nfs/dbraw/zinc/51/17/45/804511745.db2.gz NLBGSVRAJNGNKE-HZPDHXFCSA-N 2 1 288.435 3.190 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCOc3ccccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246786306 804511751 /nfs/dbraw/zinc/51/17/51/804511751.db2.gz NLBGSVRAJNGNKE-HZPDHXFCSA-N 2 1 288.435 3.190 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246791063 804514054 /nfs/dbraw/zinc/51/40/54/804514054.db2.gz JEELNKAYQWBSFF-CKEIUWERSA-N 2 1 288.435 3.361 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246790245 804514249 /nfs/dbraw/zinc/51/42/49/804514249.db2.gz MNAVNMHZIDOGNN-OALUTQOASA-N 2 1 286.463 3.470 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246793018 804515498 /nfs/dbraw/zinc/51/54/98/804515498.db2.gz CFHZPOYNDBPRSR-JKSUJKDBSA-N 2 1 276.399 3.493 20 0 CGADMP C[N@H+](CCc1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140800078 804518404 /nfs/dbraw/zinc/51/84/04/804518404.db2.gz STTCBEGTFRMITN-UHFFFAOYSA-N 2 1 265.360 3.237 20 0 CGADMP C[N@@H+](CCc1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140800078 804518406 /nfs/dbraw/zinc/51/84/06/804518406.db2.gz STTCBEGTFRMITN-UHFFFAOYSA-N 2 1 265.360 3.237 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246799481 804521861 /nfs/dbraw/zinc/52/18/61/804521861.db2.gz UZGHTDDWVKPTLF-CQSZACIVSA-N 2 1 278.415 3.078 20 0 CGADMP CC[C@H]1CC([N@H+]2CCc3ccsc3C2)C[C@H](CC)[NH2+]1 ZINC001246800655 804522249 /nfs/dbraw/zinc/52/22/49/804522249.db2.gz XMMRHGBPPKMSPU-KBPBESRZSA-N 2 1 278.465 3.415 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001140803585 804524735 /nfs/dbraw/zinc/52/47/35/804524735.db2.gz SFDHMMOUKYDTEO-KRWDZBQOSA-N 2 1 278.359 3.295 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001140803585 804524738 /nfs/dbraw/zinc/52/47/38/804524738.db2.gz SFDHMMOUKYDTEO-KRWDZBQOSA-N 2 1 278.359 3.295 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@@H](C)C1 ZINC001246808978 804526610 /nfs/dbraw/zinc/52/66/10/804526610.db2.gz FLGDJVANQBEYER-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC001246810083 804526997 /nfs/dbraw/zinc/52/69/97/804526997.db2.gz MHPNBSLIWIREIJ-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+](Cc1ccsc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246814203 804529765 /nfs/dbraw/zinc/52/97/65/804529765.db2.gz OIRZQIGUVSAPDK-KGLIPLIRSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](Cc1ccsc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246814203 804529768 /nfs/dbraw/zinc/52/97/68/804529768.db2.gz OIRZQIGUVSAPDK-KGLIPLIRSA-N 2 1 266.454 3.347 20 0 CGADMP C1C[C@@H]2CCC[N@@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)[C@@H]2C1 ZINC001246819910 804533218 /nfs/dbraw/zinc/53/32/18/804533218.db2.gz LCRGZYBCPCABDH-OWCLPIDISA-N 2 1 262.441 3.173 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CC3CCC2CC3)C[C@@H](CC)[NH2+]1 ZINC001246819470 804533970 /nfs/dbraw/zinc/53/39/70/804533970.db2.gz GLCSGMKWHIGPDL-PIOWNMBXSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1CC([N@H+]2CC3CCC2CC3)C[C@@H](CC)[NH2+]1 ZINC001246819470 804533975 /nfs/dbraw/zinc/53/39/75/804533975.db2.gz GLCSGMKWHIGPDL-PIOWNMBXSA-N 2 1 250.430 3.170 20 0 CGADMP CC1(C)[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001246819305 804534064 /nfs/dbraw/zinc/53/40/64/804534064.db2.gz IMGDLFGBOMZOAV-WCXIOVBPSA-N 2 1 270.420 3.068 20 0 CGADMP CC1(C)[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001246819305 804534068 /nfs/dbraw/zinc/53/40/68/804534068.db2.gz IMGDLFGBOMZOAV-WCXIOVBPSA-N 2 1 270.420 3.068 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C)CCc2cccc(Cl)c2)CC[NH2+]1 ZINC001246824063 804536586 /nfs/dbraw/zinc/53/65/86/804536586.db2.gz OQJQVHYIUVDLFE-JKSUJKDBSA-N 2 1 280.843 3.345 20 0 CGADMP FC(F)(F)c1ccc([C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246828597 804538373 /nfs/dbraw/zinc/53/83/73/804538373.db2.gz CMRUHLBKUCMDHT-ZDUSSCGKSA-N 2 1 298.352 3.247 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)C1CCC2(C[NH2+]C2)CC1 ZINC001246826785 804538476 /nfs/dbraw/zinc/53/84/76/804538476.db2.gz XXGGJDJARXFQTQ-UHFFFAOYSA-N 2 1 292.854 3.347 20 0 CGADMP CCCC[C@H](CCC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246833520 804541880 /nfs/dbraw/zinc/54/18/80/804541880.db2.gz BMNZOUQUXVFYJR-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246839395 804547486 /nfs/dbraw/zinc/54/74/86/804547486.db2.gz AVTVLTYZJISRAM-BHIYHBOVSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246843457 804551663 /nfs/dbraw/zinc/55/16/63/804551663.db2.gz GGOZVSDPYRRGHB-IPMKNSEASA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CC[NH2+]1 ZINC001246844421 804551718 /nfs/dbraw/zinc/55/17/18/804551718.db2.gz JGNYNFUCAGHIRH-BPQIPLTHSA-N 2 1 272.436 3.397 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246844209 804552410 /nfs/dbraw/zinc/55/24/10/804552410.db2.gz HHTGJGGCMMJEGF-UONOGXRCSA-N 2 1 278.827 3.011 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001246845800 804554254 /nfs/dbraw/zinc/55/42/54/804554254.db2.gz LZOFKRZPFDVTOB-ARFHVFGLSA-N 2 1 290.476 3.017 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246847336 804555748 /nfs/dbraw/zinc/55/57/48/804555748.db2.gz TTZUCTXSVADMDL-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246846571 804556791 /nfs/dbraw/zinc/55/67/91/804556791.db2.gz OSEWJYOOHNXWER-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246846571 804556787 /nfs/dbraw/zinc/55/67/87/804556787.db2.gz OSEWJYOOHNXWER-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246847726 804557870 /nfs/dbraw/zinc/55/78/70/804557870.db2.gz LYFHFCNPCQJERS-ZWKOTPCHSA-N 2 1 272.436 3.397 20 0 CGADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246849030 804559518 /nfs/dbraw/zinc/55/95/18/804559518.db2.gz YTBFOSHJNZSTOY-ILOCAZANSA-N 2 1 294.483 3.248 20 0 CGADMP Clc1cccc([C@H]2CC[N@H+]([C@H]3CCC[NH2+]CC3)C2)c1 ZINC001246850598 804560201 /nfs/dbraw/zinc/56/02/01/804560201.db2.gz JKGDQWOHZDHBKY-HOCLYGCPSA-N 2 1 278.827 3.271 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246852843 804562181 /nfs/dbraw/zinc/56/21/81/804562181.db2.gz KWMVEKDEEZOPPS-BYCMXARLSA-N 2 1 298.352 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246852843 804562174 /nfs/dbraw/zinc/56/21/74/804562174.db2.gz KWMVEKDEEZOPPS-BYCMXARLSA-N 2 1 298.352 3.060 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)CC[NH2+]1 ZINC001246862044 804565800 /nfs/dbraw/zinc/56/58/00/804565800.db2.gz VBKCOXVCDAHMOM-MSOLQXFVSA-N 2 1 270.420 3.306 20 0 CGADMP CC[C@H]1CC([N@@H+]2CCc3c(F)cccc3C2)C[C@H](CC)[NH2+]1 ZINC001246865270 804569570 /nfs/dbraw/zinc/56/95/70/804569570.db2.gz XSPCHAAJVAAQLY-GJZGRUSLSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@H]1CC([N@H+]2CCc3c(F)cccc3C2)C[C@H](CC)[NH2+]1 ZINC001246865270 804569573 /nfs/dbraw/zinc/56/95/73/804569573.db2.gz XSPCHAAJVAAQLY-GJZGRUSLSA-N 2 1 290.426 3.493 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246874008 804572982 /nfs/dbraw/zinc/57/29/82/804572982.db2.gz UUKMKQHCEGHBTC-YJBOKZPZSA-N 2 1 284.447 3.356 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@@H]1C ZINC001246871175 804573068 /nfs/dbraw/zinc/57/30/68/804573068.db2.gz CUEZWSOODUKNAT-LHDHZVESSA-N 2 1 298.474 3.284 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246871187 804573631 /nfs/dbraw/zinc/57/36/31/804573631.db2.gz DAMQDBCRNPSIFO-AOIWGVFYSA-N 2 1 284.447 3.038 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2Cc3ccccc3C[C@H]2C)CC[NH2+]1 ZINC001246875288 804575434 /nfs/dbraw/zinc/57/54/34/804575434.db2.gz ZWJKQDQGDKMKLV-OLMNPRSZSA-N 2 1 272.436 3.210 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCCC(C)(C)C1 ZINC001246892299 804583620 /nfs/dbraw/zinc/58/36/20/804583620.db2.gz AGHXTZYTIHHRMR-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CC[NH2+]1 ZINC001246895896 804585341 /nfs/dbraw/zinc/58/53/41/804585341.db2.gz YNXCIEGKZCWDFC-ZBFHGGJFSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246896256 804586506 /nfs/dbraw/zinc/58/65/06/804586506.db2.gz WBZZZMKMTGQVLV-KDOFPFPSSA-N 2 1 268.404 3.412 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC[NH2+]CCC1 ZINC001246904812 804589726 /nfs/dbraw/zinc/58/97/26/804589726.db2.gz JBCLZEHERBKFHQ-LBPRGKRZSA-N 2 1 284.806 3.096 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246911951 804594634 /nfs/dbraw/zinc/59/46/34/804594634.db2.gz PSIBRCRWKQRKRT-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP CSCC[C@@H](C)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246915311 804596967 /nfs/dbraw/zinc/59/69/67/804596967.db2.gz MQIOYYBIUGFHKD-OAHLLOKOSA-N 2 1 292.492 3.382 20 0 CGADMP CCCCCC(CCCCC)[N@@H+]1C[C@H]2C[NH2+][C@@H]2C1 ZINC001246919239 804600499 /nfs/dbraw/zinc/60/04/99/804600499.db2.gz FXKXTRKHJGPKHT-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1C[C@H]2C[NH2+][C@@H]2C1 ZINC001246919239 804600503 /nfs/dbraw/zinc/60/05/03/804600503.db2.gz FXKXTRKHJGPKHT-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP COCC[N@H+](C1CCC2(CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001246925922 804604181 /nfs/dbraw/zinc/60/41/81/804604181.db2.gz AXGYOKGKVDWLKH-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP COCC[N@@H+](C1CCC2(CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001246925922 804604186 /nfs/dbraw/zinc/60/41/86/804604186.db2.gz AXGYOKGKVDWLKH-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246925334 804604221 /nfs/dbraw/zinc/60/42/21/804604221.db2.gz WXJLOPVGBYOEMU-INIZCTEOSA-N 2 1 290.451 3.090 20 0 CGADMP CCCCCC[C@H](CC)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927646 804605213 /nfs/dbraw/zinc/60/52/13/804605213.db2.gz HTGKLWURSSDHLS-IRXDYDNUSA-N 2 1 284.488 3.436 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927646 804605221 /nfs/dbraw/zinc/60/52/21/804605221.db2.gz HTGKLWURSSDHLS-IRXDYDNUSA-N 2 1 284.488 3.436 20 0 CGADMP COCC[N@H+]([C@H](C)C[C@@H](C)CC(C)C)[C@H]1CCC[NH2+]C1 ZINC001246929448 804605402 /nfs/dbraw/zinc/60/54/02/804605402.db2.gz OWGKCNPVEZYXHR-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP COCC[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)[C@H]1CCC[NH2+]C1 ZINC001246929448 804605407 /nfs/dbraw/zinc/60/54/07/804605407.db2.gz OWGKCNPVEZYXHR-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP FC(F)(F)[C@H]1CCC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246931998 804607185 /nfs/dbraw/zinc/60/71/85/804607185.db2.gz OKOGAQMDTMXULN-RFQIPJPRSA-N 2 1 290.373 3.039 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CSc1ccc(C)cc1 ZINC001246935295 804607728 /nfs/dbraw/zinc/60/77/28/804607728.db2.gz GPBNWLPFPCXMLT-HOTGVXAUSA-N 2 1 292.492 3.407 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001246939792 804610530 /nfs/dbraw/zinc/61/05/30/804610530.db2.gz HEYIBNBCYCFRBV-YRXWBPOGSA-N 2 1 284.447 3.254 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@H]2CCC[NH2+]C2)c1 ZINC001246943061 804612141 /nfs/dbraw/zinc/61/21/41/804612141.db2.gz JJUKZBAMUFCPAZ-IRXDYDNUSA-N 2 1 258.409 3.192 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH2+]C2)c1 ZINC001246943061 804612144 /nfs/dbraw/zinc/61/21/44/804612144.db2.gz JJUKZBAMUFCPAZ-IRXDYDNUSA-N 2 1 258.409 3.192 20 0 CGADMP CCc1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001141227216 804614205 /nfs/dbraw/zinc/61/42/05/804614205.db2.gz VRVVRLOGEIVKQA-UHFFFAOYSA-N 2 1 260.425 3.023 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@](F)(C[NH3+])C2)CC1 ZINC001246945771 804614480 /nfs/dbraw/zinc/61/44/80/804614480.db2.gz LZPYQQHQYKXKGM-ZBCRRDGASA-N 2 1 270.436 3.354 20 0 CGADMP CCC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001246957768 804618179 /nfs/dbraw/zinc/61/81/79/804618179.db2.gz CMZFETZQFDLXPS-HNNXBMFYSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246975064 804624659 /nfs/dbraw/zinc/62/46/59/804624659.db2.gz RZBMJXPNKDRFQV-OXQOHEQNSA-N 2 1 298.474 3.316 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001246978601 804625392 /nfs/dbraw/zinc/62/53/92/804625392.db2.gz WLGCYDGPQGLRQH-RDTXWAMCSA-N 2 1 290.426 3.005 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC001246983220 804627807 /nfs/dbraw/zinc/62/78/07/804627807.db2.gz GCDZKYZNZFNUSA-QILLFSRXSA-N 2 1 272.436 3.382 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC001247004338 804635245 /nfs/dbraw/zinc/63/52/45/804635245.db2.gz OYICGPJAGBBZQH-IRXDYDNUSA-N 2 1 290.426 3.363 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001247003727 804636104 /nfs/dbraw/zinc/63/61/04/804636104.db2.gz PSJMLTQNBPYBSV-YJBOKZPZSA-N 2 1 274.452 3.241 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247005022 804637454 /nfs/dbraw/zinc/63/74/54/804637454.db2.gz SWSLDBJVONUPFH-QZTJIDSGSA-N 2 1 274.452 3.459 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012467 804640750 /nfs/dbraw/zinc/64/07/50/804640750.db2.gz DSTSVALJSBHNFQ-YIYPIFLZSA-N 2 1 290.373 3.181 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012467 804640751 /nfs/dbraw/zinc/64/07/51/804640751.db2.gz DSTSVALJSBHNFQ-YIYPIFLZSA-N 2 1 290.373 3.181 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012454 804640763 /nfs/dbraw/zinc/64/07/63/804640763.db2.gz DSTLWFUDLKKRIJ-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012454 804640764 /nfs/dbraw/zinc/64/07/64/804640764.db2.gz DSTLWFUDLKKRIJ-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001142354661 804717139 /nfs/dbraw/zinc/71/71/39/804717139.db2.gz WNSRABCGWIFCGD-MSOLQXFVSA-N 2 1 272.436 3.023 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001142354661 804717142 /nfs/dbraw/zinc/71/71/42/804717142.db2.gz WNSRABCGWIFCGD-MSOLQXFVSA-N 2 1 272.436 3.023 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001142354661 804717150 /nfs/dbraw/zinc/71/71/50/804717150.db2.gz WNSRABCGWIFCGD-MSOLQXFVSA-N 2 1 272.436 3.023 20 0 CGADMP Cc1[nH]c2ccc(NCC[C@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC001165279571 806986474 /nfs/dbraw/zinc/98/64/74/806986474.db2.gz WDZPPVSLXZFRLV-CYBMUJFWSA-N 2 1 272.396 3.015 20 0 CGADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001143458563 804855394 /nfs/dbraw/zinc/85/53/94/804855394.db2.gz PRCCKSAKQJJQAK-OKILXGFUSA-N 2 1 298.352 3.007 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2nc(C)ccc12 ZINC001248573199 804955964 /nfs/dbraw/zinc/95/59/64/804955964.db2.gz HGSPSRLNOFJNMK-UHFFFAOYSA-N 2 1 285.435 3.317 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144718389 805038550 /nfs/dbraw/zinc/03/85/50/805038550.db2.gz KTJBODAVFUQNDZ-UHFFFAOYSA-N 2 1 283.419 3.227 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144718389 805038558 /nfs/dbraw/zinc/03/85/58/805038558.db2.gz KTJBODAVFUQNDZ-UHFFFAOYSA-N 2 1 283.419 3.227 20 0 CGADMP c1cc(N2CCC([N@@H+]3C[C@@H]4CCCC[C@@H]4C3)CC2)cc[nH+]1 ZINC001256855496 806992467 /nfs/dbraw/zinc/99/24/67/806992467.db2.gz MYNKOOSGYZKSPY-IYBDPMFKSA-N 2 1 285.435 3.172 20 0 CGADMP C[C@H]1CCCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256855197 806992965 /nfs/dbraw/zinc/99/29/65/806992965.db2.gz HUTWTBPWDBXZNG-HNNXBMFYSA-N 2 1 273.424 3.172 20 0 CGADMP C[C@H]1CCCCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860559 806993040 /nfs/dbraw/zinc/99/30/40/806993040.db2.gz FMFLYJRTZGVUKW-HNNXBMFYSA-N 2 1 273.424 3.315 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861841 806993951 /nfs/dbraw/zinc/99/39/51/806993951.db2.gz XFQPEMOTOXQJRU-LSDHHAIUSA-N 2 1 273.424 3.171 20 0 CGADMP CCC[C@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001257326928 807109123 /nfs/dbraw/zinc/10/91/23/807109123.db2.gz FDWMGEMXZDTYLR-AWEZNQCLSA-N 2 1 261.413 3.137 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC001257407940 807140677 /nfs/dbraw/zinc/14/06/77/807140677.db2.gz VQRLIQCKWCTUTL-RYTJFDOTSA-N 2 1 278.484 3.475 20 0 CGADMP CCC(C)(C)C1CCC([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC001257407940 807140681 /nfs/dbraw/zinc/14/06/81/807140681.db2.gz VQRLIQCKWCTUTL-RYTJFDOTSA-N 2 1 278.484 3.475 20 0 CGADMP CCC(C)(C)C1CCC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001257407940 807140683 /nfs/dbraw/zinc/14/06/83/807140683.db2.gz VQRLIQCKWCTUTL-RYTJFDOTSA-N 2 1 278.484 3.475 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001257432322 807153570 /nfs/dbraw/zinc/15/35/70/807153570.db2.gz WEKZVDMFIFWKIA-CABPVBNCSA-N 2 1 292.426 3.361 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CCCCC2)CC1 ZINC001257453686 807164784 /nfs/dbraw/zinc/16/47/84/807164784.db2.gz SHSUVZZNBCFWSN-SAABIXHNSA-N 2 1 287.451 3.486 20 0 CGADMP c1csc(C[NH+]2C[C@H]3C[NH+](C4CCCCC4)C[C@@H]3C2)c1 ZINC001257456403 807165435 /nfs/dbraw/zinc/16/54/35/807165435.db2.gz UETIUESDVCNBOM-GJZGRUSLSA-N 2 1 290.476 3.444 20 0 CGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCSC1 ZINC001257665628 807208790 /nfs/dbraw/zinc/20/87/90/807208790.db2.gz DXBVTSHTJPTREN-RBSFLKMASA-N 2 1 270.486 3.110 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1CCCSC1 ZINC001257679996 807214202 /nfs/dbraw/zinc/21/42/02/807214202.db2.gz GFKPVKBFCOXWEE-ARFHVFGLSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCCSC1 ZINC001257679996 807214209 /nfs/dbraw/zinc/21/42/09/807214209.db2.gz GFKPVKBFCOXWEE-ARFHVFGLSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCCSC1 ZINC001257679996 807214215 /nfs/dbraw/zinc/21/42/15/807214215.db2.gz GFKPVKBFCOXWEE-ARFHVFGLSA-N 2 1 282.497 3.221 20 0 CGADMP CC(C)OC1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001257870433 807232115 /nfs/dbraw/zinc/23/21/15/807232115.db2.gz NMWHYNQDFIQUIP-KLAILNCOSA-N 2 1 282.472 3.044 20 0 CGADMP CCCCC[NH+]1CCN([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167825440 807256139 /nfs/dbraw/zinc/25/61/39/807256139.db2.gz JDBHXMQZJCMZAM-GOSISDBHSA-N 2 1 297.531 3.305 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001167838164 807258310 /nfs/dbraw/zinc/25/83/10/807258310.db2.gz QYZFZPGNCDPGFV-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP c1cn2c(n1)CC[N@@H+](C1CCC(c3ccccc3)CC1)CC2 ZINC001257998612 807261297 /nfs/dbraw/zinc/26/12/97/807261297.db2.gz KBXJBTAGRFZRRB-UHFFFAOYSA-N 2 1 295.430 3.468 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+](C1CCC(c3ccccc3)CC1)CC2 ZINC001257998612 807261302 /nfs/dbraw/zinc/26/13/02/807261302.db2.gz KBXJBTAGRFZRRB-UHFFFAOYSA-N 2 1 295.430 3.468 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+](C1CCC(c3ccccc3)CC1)CC2 ZINC001257998612 807261304 /nfs/dbraw/zinc/26/13/04/807261304.db2.gz KBXJBTAGRFZRRB-UHFFFAOYSA-N 2 1 295.430 3.468 20 0 CGADMP CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958029 807286859 /nfs/dbraw/zinc/28/68/59/807286859.db2.gz AXMCGDVKAAFUIN-MQVJKMGUSA-N 2 1 250.430 3.172 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258068236 807287337 /nfs/dbraw/zinc/28/73/37/807287337.db2.gz VMSCBKCRQUJJOI-HZPDHXFCSA-N 2 1 284.488 3.148 20 0 CGADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167963904 807289023 /nfs/dbraw/zinc/28/90/23/807289023.db2.gz HRFLPGABWPOSPL-MQVJKMGUSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982049 807289380 /nfs/dbraw/zinc/28/93/80/807289380.db2.gz UUCHBXMTEGVBIN-BLTIUCMSSA-N 2 1 276.468 3.416 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001258084988 807298998 /nfs/dbraw/zinc/29/89/98/807298998.db2.gz DCSRGXQDXFRIBG-MRXNPFEDSA-N 2 1 287.451 3.466 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@H]3C3CC3)CC2)cc1 ZINC001258139319 807318986 /nfs/dbraw/zinc/31/89/86/807318986.db2.gz GKGLPXOKEUEAAL-RTBURBONSA-N 2 1 284.447 3.082 20 0 CGADMP C[C@H]1CC([N@@H+](C)CCC[NH+]2CCCC2)C[C@H](C)C1 ZINC001258169632 807337225 /nfs/dbraw/zinc/33/72/25/807337225.db2.gz BKJYPXJTDDBHBZ-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC001168324758 807384247 /nfs/dbraw/zinc/38/42/47/807384247.db2.gz WNPUYQJUJWZVFG-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353470 807389731 /nfs/dbraw/zinc/38/97/31/807389731.db2.gz OWEOULMXYWFDQI-UHFFFAOYSA-N 2 1 276.399 3.098 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168359919 807392712 /nfs/dbraw/zinc/39/27/12/807392712.db2.gz HWSLCDMVYCODOI-GOSISDBHSA-N 2 1 288.410 3.277 20 0 CGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CCCC(C)(C)C1)CC2 ZINC001258288389 807397616 /nfs/dbraw/zinc/39/76/16/807397616.db2.gz WDSGMQYXUNSYEE-CQSZACIVSA-N 2 1 293.455 3.085 20 0 CGADMP CCC[NH+](CCC)CC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168400547 807404740 /nfs/dbraw/zinc/40/47/40/807404740.db2.gz OKHVUSNYEFFFTJ-SFHVURJKSA-N 2 1 292.442 3.395 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001258328199 807412255 /nfs/dbraw/zinc/41/22/55/807412255.db2.gz SFEYCQYKOMANLH-HIFRSBDPSA-N 2 1 284.513 3.371 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001258328199 807412257 /nfs/dbraw/zinc/41/22/57/807412257.db2.gz SFEYCQYKOMANLH-HIFRSBDPSA-N 2 1 284.513 3.371 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169078791 807567417 /nfs/dbraw/zinc/56/74/17/807567417.db2.gz GURSNRFCZPMMNM-BJWYYQGGSA-N 2 1 258.409 3.018 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169078816 807568240 /nfs/dbraw/zinc/56/82/40/807568240.db2.gz HMVMNNIRFURPEH-QKDCVEJESA-N 2 1 298.352 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169078816 807568242 /nfs/dbraw/zinc/56/82/42/807568242.db2.gz HMVMNNIRFURPEH-QKDCVEJESA-N 2 1 298.352 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CCCCC1)C2 ZINC001169089681 807571349 /nfs/dbraw/zinc/57/13/49/807571349.db2.gz FVTVCVPCBLPQPH-MUJYYYPQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH3+])c1ccc2c(ccn2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095703 807573972 /nfs/dbraw/zinc/57/39/72/807573972.db2.gz RRAXARVGPUEFGL-VDNDLQMASA-N 2 1 283.419 3.459 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169093453 807574474 /nfs/dbraw/zinc/57/44/74/807574474.db2.gz HPYSDEHNBJXJPC-YYIAUSFCSA-N 2 1 276.399 3.492 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099121 807576429 /nfs/dbraw/zinc/57/64/29/807576429.db2.gz NTUBXTJEQAXBLC-BCDXTJNWSA-N 2 1 272.436 3.354 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169108643 807579559 /nfs/dbraw/zinc/57/95/59/807579559.db2.gz UNAPPYMLPMXOQO-DZUCGIPZSA-N 2 1 288.435 3.361 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169115493 807580981 /nfs/dbraw/zinc/58/09/81/807580981.db2.gz KDVCTAKOHKMFSE-DFGXFYAUSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2n1 ZINC001169123054 807583715 /nfs/dbraw/zinc/58/37/15/807583715.db2.gz IIFRYXQGPXRCIC-BCDXTJNWSA-N 2 1 295.430 3.258 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169143360 807591288 /nfs/dbraw/zinc/59/12/88/807591288.db2.gz FKJKXTURGZOHHM-BCDXTJNWSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1cccc(CC[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169143360 807591292 /nfs/dbraw/zinc/59/12/92/807591292.db2.gz FKJKXTURGZOHHM-BCDXTJNWSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1cccc(CC[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169143360 807591297 /nfs/dbraw/zinc/59/12/97/807591297.db2.gz FKJKXTURGZOHHM-BCDXTJNWSA-N 2 1 272.436 3.095 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258752046 807593821 /nfs/dbraw/zinc/59/38/21/807593821.db2.gz ZQYMDPFYTOCZOY-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258752046 807593826 /nfs/dbraw/zinc/59/38/26/807593826.db2.gz ZQYMDPFYTOCZOY-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258752046 807593830 /nfs/dbraw/zinc/59/38/30/807593830.db2.gz ZQYMDPFYTOCZOY-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258752046 807593835 /nfs/dbraw/zinc/59/38/35/807593835.db2.gz ZQYMDPFYTOCZOY-PBHICJAKSA-N 2 1 292.854 3.299 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cn2)C2CC2)CC1 ZINC001258770815 807604017 /nfs/dbraw/zinc/60/40/17/807604017.db2.gz QRZIORIPATZBKK-GOSISDBHSA-N 2 1 287.451 3.305 20 0 CGADMP CCC[NH+]1CCC([NH+]2CCC3(CCC3)CC2)CC1 ZINC001258771952 807604847 /nfs/dbraw/zinc/60/48/47/807604847.db2.gz CYHMEELXOHOKDX-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C)[C@H](C)C2)CC1 ZINC001258772355 807604875 /nfs/dbraw/zinc/60/48/75/807604875.db2.gz OHEUVJSBIDBSLA-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001258772543 807605121 /nfs/dbraw/zinc/60/51/21/807605121.db2.gz SMSZRZXYZLEDIG-HNNXBMFYSA-N 2 1 256.409 3.075 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001258772543 807605124 /nfs/dbraw/zinc/60/51/24/807605124.db2.gz SMSZRZXYZLEDIG-HNNXBMFYSA-N 2 1 256.409 3.075 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)c2ccc(C)cc2)CC1 ZINC001169230566 807610087 /nfs/dbraw/zinc/61/00/87/807610087.db2.gz FZOQXHMHOJNTJH-UHFFFAOYSA-N 2 1 260.425 3.304 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258783374 807610637 /nfs/dbraw/zinc/61/06/37/807610637.db2.gz DKZRTLRGPOXNGD-RYQLBKOJSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258783374 807610642 /nfs/dbraw/zinc/61/06/42/807610642.db2.gz DKZRTLRGPOXNGD-RYQLBKOJSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC001169237909 807611246 /nfs/dbraw/zinc/61/12/46/807611246.db2.gz CCOUBSJZSWKPRQ-KRWDZBQOSA-N 2 1 276.399 3.277 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001169246683 807614045 /nfs/dbraw/zinc/61/40/45/807614045.db2.gz UUYBGJUXDDAPIH-AWEZNQCLSA-N 2 1 258.409 3.090 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001169246683 807614049 /nfs/dbraw/zinc/61/40/49/807614049.db2.gz UUYBGJUXDDAPIH-AWEZNQCLSA-N 2 1 258.409 3.090 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC3(CCc4ccccc43)CC2)CC1 ZINC001169249801 807614097 /nfs/dbraw/zinc/61/40/97/807614097.db2.gz KZSLFVDPYSKHDC-UHFFFAOYSA-N 2 1 298.474 3.451 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCCC3(CCCC3)C2)CC1 ZINC001169247100 807614368 /nfs/dbraw/zinc/61/43/68/807614368.db2.gz ZQKBPSJQCNPSAS-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001169247100 807614371 /nfs/dbraw/zinc/61/43/71/807614371.db2.gz ZQKBPSJQCNPSAS-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258789711 807614511 /nfs/dbraw/zinc/61/45/11/807614511.db2.gz DFHYGASUYVKIAI-FZKCQIBNSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258789711 807614513 /nfs/dbraw/zinc/61/45/13/807614513.db2.gz DFHYGASUYVKIAI-FZKCQIBNSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258789711 807614515 /nfs/dbraw/zinc/61/45/15/807614515.db2.gz DFHYGASUYVKIAI-FZKCQIBNSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001258851002 807659499 /nfs/dbraw/zinc/65/94/99/807659499.db2.gz BQDMYTKCCVEWPV-KRWDZBQOSA-N 2 1 274.452 3.424 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@H](C)Cc2ccccc2OC)CC1 ZINC001258896621 807667785 /nfs/dbraw/zinc/66/77/85/807667785.db2.gz SMCVUNJNRVEBCR-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)Cc2ccccc2OC)CC1 ZINC001258896621 807667786 /nfs/dbraw/zinc/66/77/86/807667786.db2.gz SMCVUNJNRVEBCR-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001258899758 807668903 /nfs/dbraw/zinc/66/89/03/807668903.db2.gz QIDPYKYWFZTABG-ROUUACIJSA-N 3 1 297.531 3.351 20 0 CGADMP Cc1ccc[nH+]c1N([C@H]1CC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001170162386 807782357 /nfs/dbraw/zinc/78/23/57/807782357.db2.gz SVCCEIYOUZMEBB-CJNGLKHVSA-N 2 1 273.424 3.137 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C/C=C\c2cccc(F)c2)CC1 ZINC001262110396 807825502 /nfs/dbraw/zinc/82/55/02/807825502.db2.gz BZIUNAAMPKVLOX-UTCJRWHESA-N 2 1 288.410 3.399 20 0 CGADMP Cc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc(C)[nH+]1 ZINC001170447605 807844895 /nfs/dbraw/zinc/84/48/95/807844895.db2.gz GMZLTEQGTHKSOX-UHFFFAOYSA-N 2 1 276.428 3.157 20 0 CGADMP CCC[NH+](CCC)CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715626 807881937 /nfs/dbraw/zinc/88/19/37/807881937.db2.gz JOAHGHWGFWCMFT-QDMKHBRRSA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CCCOCC2)CC1 ZINC001170800598 807909569 /nfs/dbraw/zinc/90/95/69/807909569.db2.gz FTYSGSFAQVNBER-BZSNNMDCSA-N 2 1 294.483 3.318 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC001171551995 808092650 /nfs/dbraw/zinc/09/26/50/808092650.db2.gz UAURDROGLYAGNY-FUHWJXTLSA-N 2 1 286.463 3.174 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)C2 ZINC001171551233 808093385 /nfs/dbraw/zinc/09/33/85/808093385.db2.gz BGMDIQIBYOTRKP-NEWSRXKRSA-N 2 1 286.463 3.315 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2c(C)cccc2C1 ZINC001171573924 808102439 /nfs/dbraw/zinc/10/24/39/808102439.db2.gz KHUNWDKGJWADFN-KRWDZBQOSA-N 2 1 274.452 3.126 20 0 CGADMP COc1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171617994 808105167 /nfs/dbraw/zinc/10/51/67/808105167.db2.gz TXGWHOFKSVXJET-UHFFFAOYSA-N 2 1 290.451 3.436 20 0 CGADMP C[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@]1(C)O ZINC001171632120 808109770 /nfs/dbraw/zinc/10/97/70/808109770.db2.gz VJWJPNNUZIRRBM-KSSFIOAISA-N 2 1 296.499 3.121 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC001172107432 808175829 /nfs/dbraw/zinc/17/58/29/808175829.db2.gz XKUBCSDLRZUJRH-HNKHHVNMSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC001172107432 808175832 /nfs/dbraw/zinc/17/58/32/808175832.db2.gz XKUBCSDLRZUJRH-HNKHHVNMSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107132 808175892 /nfs/dbraw/zinc/17/58/92/808175892.db2.gz SOZMVTFZBOTXFA-FPCVCCKLSA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107132 808175894 /nfs/dbraw/zinc/17/58/94/808175894.db2.gz SOZMVTFZBOTXFA-FPCVCCKLSA-N 2 1 252.446 3.416 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172105379 808175918 /nfs/dbraw/zinc/17/59/18/808175918.db2.gz HXJZOPYEELMTDS-LVQVYYBASA-N 2 1 273.424 3.056 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(F)cc31)C2 ZINC001172106507 808176044 /nfs/dbraw/zinc/17/60/44/808176044.db2.gz PTKQLDJRQGMUCL-DFGXFYAUSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(F)cc31)C2 ZINC001172106507 808176049 /nfs/dbraw/zinc/17/60/49/808176049.db2.gz PTKQLDJRQGMUCL-DFGXFYAUSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1cccc3F)C2 ZINC001172106500 808176080 /nfs/dbraw/zinc/17/60/80/808176080.db2.gz PPSKXYBXLQOCCK-AHXJXLJNSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1cccc3F)C2 ZINC001172106500 808176084 /nfs/dbraw/zinc/17/60/84/808176084.db2.gz PPSKXYBXLQOCCK-AHXJXLJNSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3cccc(F)c3)CC1)C2 ZINC001172110390 808178338 /nfs/dbraw/zinc/17/83/38/808178338.db2.gz NBIQPENJMPHEMZ-OSYLJGHBSA-N 2 1 288.410 3.420 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172112477 808178787 /nfs/dbraw/zinc/17/87/87/808178787.db2.gz XMYJTQSIBZBYHS-WFLNUHJHSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172112477 808178789 /nfs/dbraw/zinc/17/87/89/808178789.db2.gz XMYJTQSIBZBYHS-WFLNUHJHSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cccnc1)C2 ZINC001172114363 808180101 /nfs/dbraw/zinc/18/01/01/808180101.db2.gz RAMKGTZEOUVJIJ-VSZNYVQBSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cccnc1)C2 ZINC001172114363 808180103 /nfs/dbraw/zinc/18/01/03/808180103.db2.gz RAMKGTZEOUVJIJ-VSZNYVQBSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1cccnc1)C2 ZINC001172114363 808180105 /nfs/dbraw/zinc/18/01/05/808180105.db2.gz RAMKGTZEOUVJIJ-VSZNYVQBSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1cccnc1)C2 ZINC001172114363 808180106 /nfs/dbraw/zinc/18/01/06/808180106.db2.gz RAMKGTZEOUVJIJ-VSZNYVQBSA-N 2 1 285.435 3.234 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccccc3C1)C2 ZINC001172114384 808180664 /nfs/dbraw/zinc/18/06/64/808180664.db2.gz RCIZEVIYRCAMQD-FVQHAEBGSA-N 2 1 256.393 3.018 20 0 CGADMP CCCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC001172115117 808181550 /nfs/dbraw/zinc/18/15/50/808181550.db2.gz QUYAGAFYCXOFJJ-QKDCVEJESA-N 2 1 250.430 3.314 20 0 CGADMP CCCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172115117 808181552 /nfs/dbraw/zinc/18/15/52/808181552.db2.gz QUYAGAFYCXOFJJ-QKDCVEJESA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114323 808181656 /nfs/dbraw/zinc/18/16/56/808181656.db2.gz QIIFYUIAVHFRRN-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114323 808181663 /nfs/dbraw/zinc/18/16/63/808181663.db2.gz QIIFYUIAVHFRRN-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114323 808181669 /nfs/dbraw/zinc/18/16/69/808181669.db2.gz QIIFYUIAVHFRRN-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccccn1)C2 ZINC001172120124 808182321 /nfs/dbraw/zinc/18/23/21/808182321.db2.gz CTOFGELYAGWYNG-KYHPRHEASA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1ccccn1)C2 ZINC001172120124 808182326 /nfs/dbraw/zinc/18/23/26/808182326.db2.gz CTOFGELYAGWYNG-KYHPRHEASA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1ccccn1)C2 ZINC001172120124 808182330 /nfs/dbraw/zinc/18/23/30/808182330.db2.gz CTOFGELYAGWYNG-KYHPRHEASA-N 2 1 285.435 3.234 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001172122228 808183887 /nfs/dbraw/zinc/18/38/87/808183887.db2.gz YABRPLXTACHNBQ-XJFOESAGSA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001172122228 808183893 /nfs/dbraw/zinc/18/38/93/808183893.db2.gz YABRPLXTACHNBQ-XJFOESAGSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001172122228 808183900 /nfs/dbraw/zinc/18/39/00/808183900.db2.gz YABRPLXTACHNBQ-XJFOESAGSA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001172122228 808183907 /nfs/dbraw/zinc/18/39/07/808183907.db2.gz YABRPLXTACHNBQ-XJFOESAGSA-N 2 1 290.373 3.071 20 0 CGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124591 808184653 /nfs/dbraw/zinc/18/46/53/808184653.db2.gz LSCBFJCXMZWZTJ-ZJPYXAASSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124591 808184659 /nfs/dbraw/zinc/18/46/59/808184659.db2.gz LSCBFJCXMZWZTJ-ZJPYXAASSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124591 808184667 /nfs/dbraw/zinc/18/46/67/808184667.db2.gz LSCBFJCXMZWZTJ-ZJPYXAASSA-N 2 1 299.462 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124591 808184670 /nfs/dbraw/zinc/18/46/70/808184670.db2.gz LSCBFJCXMZWZTJ-ZJPYXAASSA-N 2 1 299.462 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001172124591 808184679 /nfs/dbraw/zinc/18/46/79/808184679.db2.gz LSCBFJCXMZWZTJ-ZJPYXAASSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC3(CCC3)C1)C2 ZINC001172127209 808185118 /nfs/dbraw/zinc/18/51/18/808185118.db2.gz HODFUSGRFKMMQK-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC3(CCC3)C1)C2 ZINC001172127209 808185121 /nfs/dbraw/zinc/18/51/21/808185121.db2.gz HODFUSGRFKMMQK-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC3(CCC3)C1)C2 ZINC001172127209 808185125 /nfs/dbraw/zinc/18/51/25/808185125.db2.gz HODFUSGRFKMMQK-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP C[N@@H+](Cc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123251 808185478 /nfs/dbraw/zinc/18/54/78/808185478.db2.gz YUZSCHQBGGMQQP-BTTYYORXSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123251 808185481 /nfs/dbraw/zinc/18/54/81/808185481.db2.gz YUZSCHQBGGMQQP-BTTYYORXSA-N 2 1 264.438 3.195 20 0 CGADMP C[NH+](Cc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123251 808185484 /nfs/dbraw/zinc/18/54/84/808185484.db2.gz YUZSCHQBGGMQQP-BTTYYORXSA-N 2 1 264.438 3.195 20 0 CGADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172126448 808185644 /nfs/dbraw/zinc/18/56/44/808185644.db2.gz VZJPLEIZWRZOJD-BJWYYQGGSA-N 2 1 286.419 3.026 20 0 CGADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172126448 808185647 /nfs/dbraw/zinc/18/56/47/808185647.db2.gz VZJPLEIZWRZOJD-BJWYYQGGSA-N 2 1 286.419 3.026 20 0 CGADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172126448 808185649 /nfs/dbraw/zinc/18/56/49/808185649.db2.gz VZJPLEIZWRZOJD-BJWYYQGGSA-N 2 1 286.419 3.026 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172183393 808190732 /nfs/dbraw/zinc/19/07/32/808190732.db2.gz DKVQQAAVZQZULO-HOCLYGCPSA-N 2 1 290.476 3.025 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172183392 808190871 /nfs/dbraw/zinc/19/08/71/808190871.db2.gz DKVQQAAVZQZULO-GOEBONIOSA-N 2 1 290.476 3.025 20 0 CGADMP CCCCCC[C@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172386838 808278629 /nfs/dbraw/zinc/27/86/29/808278629.db2.gz FRDQBRQCQQTSNJ-INIZCTEOSA-N 2 1 284.488 3.172 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CCOC(C)C)CC1 ZINC001172455767 808326400 /nfs/dbraw/zinc/32/64/00/808326400.db2.gz AVEGJQMOVYSVQK-INIZCTEOSA-N 2 1 284.488 3.386 20 0 CGADMP CC(C)COCC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172456940 808328196 /nfs/dbraw/zinc/32/81/96/808328196.db2.gz KAEGVSPTJGWUAE-MRXNPFEDSA-N 2 1 284.488 3.421 20 0 CGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001173114619 808513725 /nfs/dbraw/zinc/51/37/25/808513725.db2.gz BVCWMJLSRQWWON-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001173112603 808513748 /nfs/dbraw/zinc/51/37/48/808513748.db2.gz APAMADJWCPVHQK-SLTXQBBLSA-N 2 1 250.430 3.124 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001173110343 808513911 /nfs/dbraw/zinc/51/39/11/808513911.db2.gz RVEVRJIGFSSACZ-QDIHITRGSA-N 2 1 288.426 3.411 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001173264454 808569901 /nfs/dbraw/zinc/56/99/01/808569901.db2.gz SYOZACZHKPMCKL-DGADGQDISA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001173264454 808569908 /nfs/dbraw/zinc/56/99/08/808569908.db2.gz SYOZACZHKPMCKL-DGADGQDISA-N 2 1 250.430 3.170 20 0 CGADMP CCSC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173295885 808595475 /nfs/dbraw/zinc/59/54/75/808595475.db2.gz NZIYDUNNDIKCMR-UMVBOHGHSA-N 2 1 270.486 3.252 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CSCC)CC1 ZINC001173306954 808603189 /nfs/dbraw/zinc/60/31/89/808603189.db2.gz AGPZDNKPVWCXLE-AWEZNQCLSA-N 2 1 272.502 3.324 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CSCC)CC1 ZINC001173306955 808603652 /nfs/dbraw/zinc/60/36/52/808603652.db2.gz AGPZDNKPVWCXLE-CQSZACIVSA-N 2 1 272.502 3.324 20 0 CGADMP COCCCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001274988088 808896658 /nfs/dbraw/zinc/89/66/58/808896658.db2.gz OAAZATQGHPLGOC-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP COCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001274988088 808896666 /nfs/dbraw/zinc/89/66/66/808896666.db2.gz OAAZATQGHPLGOC-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP COCCCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001274988088 808896672 /nfs/dbraw/zinc/89/66/72/808896672.db2.gz OAAZATQGHPLGOC-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275308019 808927588 /nfs/dbraw/zinc/92/75/88/808927588.db2.gz KUWWNMPXLBQNHF-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275308019 808927593 /nfs/dbraw/zinc/92/75/93/808927593.db2.gz KUWWNMPXLBQNHF-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275308019 808927597 /nfs/dbraw/zinc/92/75/97/808927597.db2.gz KUWWNMPXLBQNHF-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275308019 808927603 /nfs/dbraw/zinc/92/76/03/808927603.db2.gz KUWWNMPXLBQNHF-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)c(F)cc3F)(C1)CCC2 ZINC001275566377 808949176 /nfs/dbraw/zinc/94/91/76/808949176.db2.gz QMKQOCJOBCJERF-DLBZAZTESA-N 2 1 294.389 3.428 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4occc4c3)C[C@H]2CC1 ZINC001275660528 808955130 /nfs/dbraw/zinc/95/51/30/808955130.db2.gz RAACAMIATNJHKQ-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4occc4c3)C[C@H]2CC1 ZINC001275660528 808955140 /nfs/dbraw/zinc/95/51/40/808955140.db2.gz RAACAMIATNJHKQ-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4occc4c3)C[C@H]2CC1 ZINC001275660528 808955145 /nfs/dbraw/zinc/95/51/45/808955145.db2.gz RAACAMIATNJHKQ-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)ccc1F ZINC001276229822 808994432 /nfs/dbraw/zinc/99/44/32/808994432.db2.gz FSRQYCSBOBPPMN-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)ccc1F ZINC001276229822 808994435 /nfs/dbraw/zinc/99/44/35/808994435.db2.gz FSRQYCSBOBPPMN-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1F ZINC001276229822 808994440 /nfs/dbraw/zinc/99/44/40/808994440.db2.gz FSRQYCSBOBPPMN-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1F ZINC001276229822 808994443 /nfs/dbraw/zinc/99/44/43/808994443.db2.gz FSRQYCSBOBPPMN-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC001276244369 808996094 /nfs/dbraw/zinc/99/60/94/808996094.db2.gz TUUTYQDZPGFHEU-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1ccc(C[NH+]2CC3(C2)CCN(C)C3)c2ccccc12 ZINC001276381633 809005411 /nfs/dbraw/zinc/00/54/11/809005411.db2.gz CQYLLOUVOPUXII-UHFFFAOYSA-N 2 1 280.415 3.286 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070311 809259429 /nfs/dbraw/zinc/25/94/29/809259429.db2.gz QDHIFTLNAWWVHQ-KURKYZTESA-N 2 1 272.436 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070311 809259435 /nfs/dbraw/zinc/25/94/35/809259435.db2.gz QDHIFTLNAWWVHQ-KURKYZTESA-N 2 1 272.436 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070311 809259439 /nfs/dbraw/zinc/25/94/39/809259439.db2.gz QDHIFTLNAWWVHQ-KURKYZTESA-N 2 1 272.436 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070311 809259443 /nfs/dbraw/zinc/25/94/43/809259443.db2.gz QDHIFTLNAWWVHQ-KURKYZTESA-N 2 1 272.436 3.411 20 0 CGADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1 ZINC001175445101 809409527 /nfs/dbraw/zinc/40/95/27/809409527.db2.gz VNRUBGKGVPEWFA-WMZOPIPTSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC001175445101 809409533 /nfs/dbraw/zinc/40/95/33/809409533.db2.gz VNRUBGKGVPEWFA-WMZOPIPTSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC001175445101 809409538 /nfs/dbraw/zinc/40/95/38/809409538.db2.gz VNRUBGKGVPEWFA-WMZOPIPTSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1[nH+]ccn1Cc1ccc(Nc2ccc(C[NH3+])cc2)cc1 ZINC001175968639 809585667 /nfs/dbraw/zinc/58/56/67/809585667.db2.gz LQEQKEBKBSMIAQ-UHFFFAOYSA-N 2 1 292.386 3.442 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001178934855 809895248 /nfs/dbraw/zinc/89/52/48/809895248.db2.gz SGGWEKIANDQXKK-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC001178934855 809895251 /nfs/dbraw/zinc/89/52/51/809895251.db2.gz SGGWEKIANDQXKK-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP Clc1cc2ccccc2c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001190436985 810628686 /nfs/dbraw/zinc/62/86/86/810628686.db2.gz PZWDLBUGMWVNOF-HUUCEWRRSA-N 2 1 286.806 3.144 20 0 CGADMP C=C/C=C\CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001192917981 810828408 /nfs/dbraw/zinc/82/84/08/810828408.db2.gz IDOAFJWKCJNNTQ-SREVYHEPSA-N 2 1 258.409 3.312 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197368004 811421752 /nfs/dbraw/zinc/42/17/52/811421752.db2.gz CKQFPDYOTZGDKL-HUUCEWRRSA-N 2 1 299.393 3.492 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C)c1 ZINC001197497368 811426319 /nfs/dbraw/zinc/42/63/19/811426319.db2.gz RGTRCPQETFBREG-MSOLQXFVSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)c1cccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC001197497368 811426327 /nfs/dbraw/zinc/42/63/27/811426327.db2.gz RGTRCPQETFBREG-MSOLQXFVSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)c1cccc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC001197497368 811426334 /nfs/dbraw/zinc/42/63/34/811426334.db2.gz RGTRCPQETFBREG-MSOLQXFVSA-N 2 1 272.436 3.479 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C ZINC001200254819 811655103 /nfs/dbraw/zinc/65/51/03/811655103.db2.gz JZUIAHJYFHDPIK-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C ZINC001200254819 811655106 /nfs/dbraw/zinc/65/51/06/811655106.db2.gz JZUIAHJYFHDPIK-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001201440300 811847267 /nfs/dbraw/zinc/84/72/67/811847267.db2.gz HMZXSGZNBOTSEX-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CCC(CC)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001201530909 811886603 /nfs/dbraw/zinc/88/66/03/811886603.db2.gz GRCOFWQAAQRUDK-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC001201558203 811902814 /nfs/dbraw/zinc/90/28/14/811902814.db2.gz QXXOIMAXTGXHRO-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201626963 811924048 /nfs/dbraw/zinc/92/40/48/811924048.db2.gz QQDFQGSJWZVJJZ-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201626963 811924050 /nfs/dbraw/zinc/92/40/50/811924050.db2.gz QQDFQGSJWZVJJZ-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201626963 811924052 /nfs/dbraw/zinc/92/40/52/811924052.db2.gz QQDFQGSJWZVJJZ-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201652903 811931764 /nfs/dbraw/zinc/93/17/64/811931764.db2.gz WXFKUGUDJVIZHQ-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201652903 811931767 /nfs/dbraw/zinc/93/17/67/811931767.db2.gz WXFKUGUDJVIZHQ-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201652903 811931771 /nfs/dbraw/zinc/93/17/71/811931771.db2.gz WXFKUGUDJVIZHQ-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)C1CCCCC1 ZINC001204597912 812686186 /nfs/dbraw/zinc/68/61/86/812686186.db2.gz BYUZZPKZXXVYEP-UHFFFAOYSA-N 2 1 264.438 3.158 20 0 CGADMP CCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H](C)CC ZINC001204630629 812694797 /nfs/dbraw/zinc/69/47/97/812694797.db2.gz PVTSRGRWXSBQPH-GFCCVEGCSA-N 2 1 266.454 3.404 20 0 CGADMP Clc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001204734966 812719665 /nfs/dbraw/zinc/71/96/65/812719665.db2.gz HPHCBGYPLVVQBN-UHFFFAOYSA-N 2 1 284.856 3.367 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204771991 812732835 /nfs/dbraw/zinc/73/28/35/812732835.db2.gz SEQBTJALIICFLH-OAHLLOKOSA-N 2 1 260.406 3.133 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204771991 812732842 /nfs/dbraw/zinc/73/28/42/812732842.db2.gz SEQBTJALIICFLH-OAHLLOKOSA-N 2 1 260.406 3.133 20 0 CGADMP Clc1ccc(C2=CC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001204870406 812759157 /nfs/dbraw/zinc/75/91/57/812759157.db2.gz SENOADBJMKPABZ-CYBMUJFWSA-N 2 1 276.811 3.039 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H](C)CC(C)(C)C)C1 ZINC001205001913 812819309 /nfs/dbraw/zinc/81/93/09/812819309.db2.gz XLCJZIATGZTQBU-GJZGRUSLSA-N 2 1 254.462 3.380 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001205016332 812826376 /nfs/dbraw/zinc/82/63/76/812826376.db2.gz IPPOTNWPFJOUCU-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(Cl)c(C)c2)C1 ZINC001205016332 812826380 /nfs/dbraw/zinc/82/63/80/812826380.db2.gz IPPOTNWPFJOUCU-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC001205101785 812867756 /nfs/dbraw/zinc/86/77/56/812867756.db2.gz LREJVRDSNIHSQB-AWEZNQCLSA-N 2 1 287.432 3.123 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001205110143 812872015 /nfs/dbraw/zinc/87/20/15/812872015.db2.gz POJUOHZYLFIHEL-KRWDZBQOSA-N 2 1 281.403 3.062 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001205131157 812879663 /nfs/dbraw/zinc/87/96/63/812879663.db2.gz RISLUUNSNKLCLZ-ZMSDIMECSA-N 2 1 282.431 3.470 20 0 CGADMP Cc1cc(N2CC[NH+](Cc3ccc(F)c(C)c3)CC2)cc[nH+]1 ZINC001205198804 812907337 /nfs/dbraw/zinc/90/73/37/812907337.db2.gz RCUBBEJBWTYLJZ-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Br)cc2)CC1 ZINC001205266321 812922103 /nfs/dbraw/zinc/92/21/03/812922103.db2.gz TUALVDDXHFQRIT-AWEZNQCLSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC001205266321 812922104 /nfs/dbraw/zinc/92/21/04/812922104.db2.gz TUALVDDXHFQRIT-AWEZNQCLSA-N 2 1 297.240 3.152 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205273125 812925216 /nfs/dbraw/zinc/92/52/16/812925216.db2.gz FNKSNUWEIUGCGZ-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205273125 812925220 /nfs/dbraw/zinc/92/52/20/812925220.db2.gz FNKSNUWEIUGCGZ-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001205273677 812925828 /nfs/dbraw/zinc/92/58/28/812925828.db2.gz OICBCRKMUOSRRV-SFHVURJKSA-N 2 1 284.403 3.249 20 0 CGADMP CC(C)Oc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)ccc1F ZINC001205295730 812936320 /nfs/dbraw/zinc/93/63/20/812936320.db2.gz BHOSVTLXYCNIHR-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1F ZINC001205295730 812936322 /nfs/dbraw/zinc/93/63/22/812936322.db2.gz BHOSVTLXYCNIHR-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP C[C@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)C[C@H]1C[NH3+] ZINC001205295975 812936384 /nfs/dbraw/zinc/93/63/84/812936384.db2.gz DTBBXJFOSKOMBP-DLBZAZTESA-N 2 1 286.463 3.415 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303212 812941004 /nfs/dbraw/zinc/94/10/04/812941004.db2.gz AYVLKLSHXNTWRH-AAEUAGOBSA-N 2 1 266.816 3.065 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C[C@H]1C[NH3+] ZINC001205303358 812941109 /nfs/dbraw/zinc/94/11/09/812941109.db2.gz CVIHFSQDKONFNA-HNAYVOBHSA-N 2 1 295.430 3.165 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306319 812943938 /nfs/dbraw/zinc/94/39/38/812943938.db2.gz VJVSUMKUFPVLKY-DOTOQJQBSA-N 2 1 290.451 3.199 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC(C)C ZINC001205314933 812948377 /nfs/dbraw/zinc/94/83/77/812948377.db2.gz DQSRFJOBLVDZED-WMLDXEAASA-N 2 1 290.451 3.199 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC001205318672 812952351 /nfs/dbraw/zinc/95/23/51/812952351.db2.gz WAPQADYPFCELAW-ZBFHGGJFSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205319040 812952473 /nfs/dbraw/zinc/95/24/73/812952473.db2.gz XWOJOGLGAMNVPV-DNVCBOLYSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205331876 812958615 /nfs/dbraw/zinc/95/86/15/812958615.db2.gz LBLDITDZHKTQOL-HNNXBMFYSA-N 2 1 296.414 3.243 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205331876 812958618 /nfs/dbraw/zinc/95/86/18/812958618.db2.gz LBLDITDZHKTQOL-HNNXBMFYSA-N 2 1 296.414 3.243 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205331011 812959054 /nfs/dbraw/zinc/95/90/54/812959054.db2.gz CDMBCSKPZDNUKJ-HNNXBMFYSA-N 2 1 297.446 3.090 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205331011 812959056 /nfs/dbraw/zinc/95/90/56/812959056.db2.gz CDMBCSKPZDNUKJ-HNNXBMFYSA-N 2 1 297.446 3.090 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001205332834 812960232 /nfs/dbraw/zinc/96/02/32/812960232.db2.gz UPMLPWAOOLOYQX-HNNXBMFYSA-N 2 1 292.426 3.442 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001205332834 812960237 /nfs/dbraw/zinc/96/02/37/812960237.db2.gz UPMLPWAOOLOYQX-HNNXBMFYSA-N 2 1 292.426 3.442 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCc2cccc(Cl)c2)CC1 ZINC001205537158 812997303 /nfs/dbraw/zinc/99/73/03/812997303.db2.gz DKXVVDGTMKIUAS-INIZCTEOSA-N 2 1 298.833 3.426 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC001205545633 812999065 /nfs/dbraw/zinc/99/90/65/812999065.db2.gz KVHZQGSOSIXVSL-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001205545185 812999702 /nfs/dbraw/zinc/99/97/02/812999702.db2.gz AFGGNTPVFWHIRP-HNNXBMFYSA-N 2 1 256.409 3.110 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC001205558825 813003181 /nfs/dbraw/zinc/00/31/81/813003181.db2.gz JGGBSXMFENFHOL-INIZCTEOSA-N 2 1 276.355 3.086 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570067 813006463 /nfs/dbraw/zinc/00/64/63/813006463.db2.gz DVNJWKUZTVAKOV-QGZVFWFLSA-N 2 1 278.415 3.463 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205580287 813010297 /nfs/dbraw/zinc/01/02/97/813010297.db2.gz SAANXPSGOBBENX-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)CC[C@H]1C[NH3+] ZINC001205603141 813020092 /nfs/dbraw/zinc/02/00/92/813020092.db2.gz NWLDBEHPKYLSKH-GJZGRUSLSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001205602284 813020391 /nfs/dbraw/zinc/02/03/91/813020391.db2.gz IGOBBAQOKTVAQE-ZFWWWQNUSA-N 2 1 280.843 3.189 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651965 813041842 /nfs/dbraw/zinc/04/18/42/813041842.db2.gz MPHOWJANIVIFJX-GXTWGEPZSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c[nH]c2c1 ZINC001205818953 813097194 /nfs/dbraw/zinc/09/71/94/813097194.db2.gz VJWCDNCOWQXORO-ZFWWWQNUSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c[nH]c2c1 ZINC001205818953 813097200 /nfs/dbraw/zinc/09/72/00/813097200.db2.gz VJWCDNCOWQXORO-ZFWWWQNUSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1CC[C@H](CN)[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827963 813098816 /nfs/dbraw/zinc/09/88/16/813098816.db2.gz IJFHJSJBFSYGQO-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@H](CN)[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827963 813098826 /nfs/dbraw/zinc/09/88/26/813098826.db2.gz IJFHJSJBFSYGQO-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)cc2c1 ZINC001205901055 813122549 /nfs/dbraw/zinc/12/25/49/813122549.db2.gz AWPFYKHGJOHUED-UONOGXRCSA-N 2 1 271.408 3.036 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205901761 813124189 /nfs/dbraw/zinc/12/41/89/813124189.db2.gz GAZRHDWGWMUIPS-RDJZCZTQSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(Cl)[nH]c2ccccc21 ZINC001205902071 813124389 /nfs/dbraw/zinc/12/43/89/813124389.db2.gz HQDJELNHDDLTTI-NEPJUHHUSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912769 813129332 /nfs/dbraw/zinc/12/93/32/813129332.db2.gz CDKUTEUBTKNVTG-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205915191 813130858 /nfs/dbraw/zinc/13/08/58/813130858.db2.gz OTBMMUIAEZXZRK-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205916902 813133075 /nfs/dbraw/zinc/13/30/75/813133075.db2.gz WHWVQYPSODLDSR-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205916902 813133080 /nfs/dbraw/zinc/13/30/80/813133080.db2.gz WHWVQYPSODLDSR-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)CC1 ZINC001205930809 813137795 /nfs/dbraw/zinc/13/77/95/813137795.db2.gz CEANUSQIFRLTAP-KRWDZBQOSA-N 2 1 287.451 3.196 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205991384 813153965 /nfs/dbraw/zinc/15/39/65/813153965.db2.gz ANFQPKVBTBTLHI-JKSUJKDBSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)CCC[C@H]1C[NH3+] ZINC001205993175 813155352 /nfs/dbraw/zinc/15/53/52/813155352.db2.gz HKZDIPZHBLRTMT-ZBFHGGJFSA-N 2 1 299.418 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)CCC[C@H]1C[NH3+] ZINC001205995807 813156684 /nfs/dbraw/zinc/15/66/84/813156684.db2.gz QPIXIJUKBQILNC-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206005613 813162815 /nfs/dbraw/zinc/16/28/15/813162815.db2.gz YUEVMHHTDVAEPB-ZBFHGGJFSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ncsc32)CCC[C@H]1C[NH3+] ZINC001206013758 813164973 /nfs/dbraw/zinc/16/49/73/813164973.db2.gz UDLVWOSMNDRBMI-OLZOCXBDSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c3ccoc32)CCC[C@H]1C[NH3+] ZINC001206026524 813170366 /nfs/dbraw/zinc/17/03/66/813170366.db2.gz SQCOBBSYNJVQAS-STQMWFEESA-N 2 1 290.382 3.379 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3sccc3[C@@H]2C)CC1 ZINC001206127024 813208448 /nfs/dbraw/zinc/20/84/48/813208448.db2.gz ABIOCZXJRMJWKP-ZDUSSCGKSA-N 2 1 278.465 3.399 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1)CC(C)(C)C ZINC001206154245 813217337 /nfs/dbraw/zinc/21/73/37/813217337.db2.gz HWAMHSLLSXCVGC-HZSPNIEDSA-N 2 1 258.425 3.210 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1)CC(C)(C)C ZINC001206154245 813217339 /nfs/dbraw/zinc/21/73/39/813217339.db2.gz HWAMHSLLSXCVGC-HZSPNIEDSA-N 2 1 258.425 3.210 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1F ZINC001206164545 813220763 /nfs/dbraw/zinc/22/07/63/813220763.db2.gz KILWJRRALYONTJ-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1F ZINC001206164545 813220766 /nfs/dbraw/zinc/22/07/66/813220766.db2.gz KILWJRRALYONTJ-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@H]1F ZINC001206173526 813226223 /nfs/dbraw/zinc/22/62/23/813226223.db2.gz HVDLGRGSUMIYJT-IAGOWNOFSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@H]1F ZINC001206173526 813226229 /nfs/dbraw/zinc/22/62/29/813226229.db2.gz HVDLGRGSUMIYJT-IAGOWNOFSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)CC[C@@H]1F ZINC001206176097 813227967 /nfs/dbraw/zinc/22/79/67/813227967.db2.gz YBQPVEIEUPZBBV-DLBZAZTESA-N 2 1 290.357 3.240 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206184611 813230150 /nfs/dbraw/zinc/23/01/50/813230150.db2.gz JBLYVKKWLKHMGM-JKSUJKDBSA-N 2 1 294.414 3.125 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1F ZINC001206184278 813230313 /nfs/dbraw/zinc/23/03/13/813230313.db2.gz IDVLZCIKNQVVRO-CVEARBPZSA-N 2 1 288.366 3.208 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@H]1F ZINC001206196686 813237067 /nfs/dbraw/zinc/23/70/67/813237067.db2.gz CKHBGCBIOVNHJW-SJORKVTESA-N 2 1 276.399 3.215 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)c1Cl ZINC001206209068 813241135 /nfs/dbraw/zinc/24/11/35/813241135.db2.gz ASOUOGXJDWPBGJ-KBPBESRZSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)c1Cl ZINC001206209068 813241144 /nfs/dbraw/zinc/24/11/44/813241144.db2.gz ASOUOGXJDWPBGJ-KBPBESRZSA-N 2 1 284.806 3.218 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC001206246848 813253619 /nfs/dbraw/zinc/25/36/19/813253619.db2.gz AVBZWENBOPYIAY-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC001206246848 813253623 /nfs/dbraw/zinc/25/36/23/813253623.db2.gz AVBZWENBOPYIAY-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001206263485 813262681 /nfs/dbraw/zinc/26/26/81/813262681.db2.gz ZXNCCJKRQPPWER-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001206263485 813262684 /nfs/dbraw/zinc/26/26/84/813262684.db2.gz ZXNCCJKRQPPWER-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206262566 813262759 /nfs/dbraw/zinc/26/27/59/813262759.db2.gz AHDXECCNYOQEJS-HNNXBMFYSA-N 2 1 260.425 3.213 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206262566 813262760 /nfs/dbraw/zinc/26/27/60/813262760.db2.gz AHDXECCNYOQEJS-HNNXBMFYSA-N 2 1 260.425 3.213 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(C)c1 ZINC001206297614 813276641 /nfs/dbraw/zinc/27/66/41/813276641.db2.gz YYYAMPSXKOGWEJ-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(C)c1 ZINC001206304365 813280448 /nfs/dbraw/zinc/28/04/48/813280448.db2.gz JHQFFDKJBHCNCN-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2OC(F)F)CC1 ZINC001206304566 813281337 /nfs/dbraw/zinc/28/13/37/813281337.db2.gz MRXHUVNJKWXTSJ-INIZCTEOSA-N 2 1 298.377 3.239 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001206305105 813282367 /nfs/dbraw/zinc/28/23/67/813282367.db2.gz SZEAEYJIGSSPPG-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206326304 813289782 /nfs/dbraw/zinc/28/97/82/813289782.db2.gz MOKWMIJLQYIERX-QGZVFWFLSA-N 2 1 294.414 3.094 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206327450 813290515 /nfs/dbraw/zinc/29/05/15/813290515.db2.gz WQMNEFHIONXFKT-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP CSc1ncc(C)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206327805 813291259 /nfs/dbraw/zinc/29/12/59/813291259.db2.gz YDNSBGBCZFORNN-MRXNPFEDSA-N 2 1 293.480 3.063 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001206370866 813306343 /nfs/dbraw/zinc/30/63/43/813306343.db2.gz PJRBLTARKLPBQE-GOSISDBHSA-N 2 1 286.394 3.444 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206370866 813306348 /nfs/dbraw/zinc/30/63/48/813306348.db2.gz PJRBLTARKLPBQE-GOSISDBHSA-N 2 1 286.394 3.444 20 0 CGADMP CSC(C)(C)CC[NH2+]CCC[N@@H+](C)CC(C)C ZINC001206537816 813343215 /nfs/dbraw/zinc/34/32/15/813343215.db2.gz OQLBXLFLYVWFQK-UHFFFAOYSA-N 2 1 260.491 3.086 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206541965 813343685 /nfs/dbraw/zinc/34/36/85/813343685.db2.gz OJSUOWWBMAQJSK-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CC2(c3ccccc3)CC2)C1 ZINC001206540798 813344042 /nfs/dbraw/zinc/34/40/42/813344042.db2.gz DAVMITYPKNBVML-KRWDZBQOSA-N 2 1 272.436 3.169 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc2c1 ZINC001206547738 813347336 /nfs/dbraw/zinc/34/73/36/813347336.db2.gz FUIOMOGHNKAYBF-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206547591 813347386 /nfs/dbraw/zinc/34/73/86/813347386.db2.gz CUQBEEJJUAVJSP-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1F ZINC001206549783 813348546 /nfs/dbraw/zinc/34/85/46/813348546.db2.gz PVFTVHIJJOKZGL-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP CSc1ccccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563665 813355787 /nfs/dbraw/zinc/35/57/87/813355787.db2.gz GQHYDSXHKNOGAK-MRXNPFEDSA-N 2 1 278.465 3.359 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cccc2n1 ZINC001206579941 813361376 /nfs/dbraw/zinc/36/13/76/813361376.db2.gz BKRZUVASHRBTPZ-LJQANCHMSA-N 2 1 297.446 3.494 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582698 813362266 /nfs/dbraw/zinc/36/22/66/813362266.db2.gz OMXPGSNQWICVTO-OAHLLOKOSA-N 2 1 264.388 3.178 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206580087 813362348 /nfs/dbraw/zinc/36/23/48/813362348.db2.gz CCPLCOBVJRSWEX-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206583815 813364096 /nfs/dbraw/zinc/36/40/96/813364096.db2.gz WWLGMJMHQSSVJT-INIZCTEOSA-N 2 1 264.388 3.178 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)oc1C ZINC001206583813 813364251 /nfs/dbraw/zinc/36/42/51/813364251.db2.gz WWCRUYGAHSUBRQ-OAHLLOKOSA-N 2 1 264.413 3.249 20 0 CGADMP CCOc1ccccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206584507 813364366 /nfs/dbraw/zinc/36/43/66/813364366.db2.gz ZNMCXPFWMQBFMB-QGZVFWFLSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606590 813373113 /nfs/dbraw/zinc/37/31/13/813373113.db2.gz QQXAYHPXTFHVMN-JKSUJKDBSA-N 2 1 252.446 3.430 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606587 813373353 /nfs/dbraw/zinc/37/33/53/813373353.db2.gz QQXAYHPXTFHVMN-CVEARBPZSA-N 2 1 252.446 3.430 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606343 813373482 /nfs/dbraw/zinc/37/34/82/813373482.db2.gz LJJARFOIODCCTJ-HZPDHXFCSA-N 2 1 284.488 3.015 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(C)c1C ZINC001206617049 813375398 /nfs/dbraw/zinc/37/53/98/813375398.db2.gz ZBCRTZPZKZEHAN-INIZCTEOSA-N 2 1 290.451 3.181 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001206632648 813380852 /nfs/dbraw/zinc/38/08/52/813380852.db2.gz MZAMZIVHQXHNBH-KRWDZBQOSA-N 2 1 283.419 3.038 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001206632649 813381587 /nfs/dbraw/zinc/38/15/87/813381587.db2.gz MZAMZIVHQXHNBH-QGZVFWFLSA-N 2 1 283.419 3.038 20 0 CGADMP COc1ccc(-c2cccc(C[NH+]3CC(C)(C[NH3+])C3)c2)cc1 ZINC001206718448 813407234 /nfs/dbraw/zinc/40/72/34/813407234.db2.gz RNFISSVBXYBBBP-UHFFFAOYSA-N 2 1 296.414 3.143 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2ccccc2-c2ccccc2)C1 ZINC001206723354 813408154 /nfs/dbraw/zinc/40/81/54/813408154.db2.gz PMDPCBSBAONYRP-UHFFFAOYSA-N 2 1 266.388 3.134 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206761321 813426183 /nfs/dbraw/zinc/42/61/83/813426183.db2.gz WWLOZTGXIVBBQY-OAGGEKHMSA-N 2 1 284.488 3.013 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)c1ccccc1 ZINC001206761469 813428035 /nfs/dbraw/zinc/42/80/35/813428035.db2.gz ZAYDPCXHSVSRTQ-CVEARBPZSA-N 2 1 274.452 3.414 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206805227 813441407 /nfs/dbraw/zinc/44/14/07/813441407.db2.gz AZQFQCWSGANNHD-KBPBESRZSA-N 2 1 264.388 3.002 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC001207175268 813504836 /nfs/dbraw/zinc/50/48/36/813504836.db2.gz SLDRLCQJLWIIBG-CEXWTWQISA-N 2 1 286.463 3.452 20 0 CGADMP C[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207177163 813505830 /nfs/dbraw/zinc/50/58/30/813505830.db2.gz MEQDAMRAEOMPCL-WMLDXEAASA-N 2 1 292.854 3.470 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207177163 813505835 /nfs/dbraw/zinc/50/58/35/813505835.db2.gz MEQDAMRAEOMPCL-WMLDXEAASA-N 2 1 292.854 3.470 20 0 CGADMP Clc1ccc(CCCN2CC[NH+]3CCC2CC3)cc1 ZINC001207595873 813606406 /nfs/dbraw/zinc/60/64/06/813606406.db2.gz IUQBQLTUPYFQSG-UHFFFAOYSA-N 2 1 278.827 3.053 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207626482 813619249 /nfs/dbraw/zinc/61/92/49/813619249.db2.gz GOGBADQCLDZQPF-KSZLIROESA-N 2 1 276.468 3.251 20 0 CGADMP Cc1ccc(CCC[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC001207937088 813674696 /nfs/dbraw/zinc/67/46/96/813674696.db2.gz FWMNSBGAVYTBPL-UHFFFAOYSA-N 2 1 290.451 3.471 20 0 CGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCC1CCCC1)CC2 ZINC001208091313 813691016 /nfs/dbraw/zinc/69/10/16/813691016.db2.gz WRRMVEMJMLOECM-UHFFFAOYSA-N 2 1 293.455 3.087 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001208110242 813694941 /nfs/dbraw/zinc/69/49/41/813694941.db2.gz XYVIDJNJCFNZHE-IYBDPMFKSA-N 2 1 284.447 3.305 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001208114438 813696962 /nfs/dbraw/zinc/69/69/62/813696962.db2.gz XCJWYFGVJOZILN-MRXNPFEDSA-N 2 1 290.426 3.347 20 0 CGADMP CC[N@@H+](CC[C@H](C)c1ccc(C)o1)CCn1ccnc1 ZINC001208164663 813718747 /nfs/dbraw/zinc/71/87/47/813718747.db2.gz AMWSZEGBLXVTPL-AWEZNQCLSA-N 2 1 275.396 3.300 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001208173221 813727289 /nfs/dbraw/zinc/72/72/89/813727289.db2.gz HPJQRSIGDKVGQZ-IAGOWNOFSA-N 2 1 264.457 3.397 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208186145 813734716 /nfs/dbraw/zinc/73/47/16/813734716.db2.gz NJGPMMNHIXQFMB-GASCZTMLSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001208597973 813770784 /nfs/dbraw/zinc/77/07/84/813770784.db2.gz OMOFOUWVWNQWEN-KRWDZBQOSA-N 2 1 258.409 3.165 20 0 CGADMP COc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208608323 813773106 /nfs/dbraw/zinc/77/31/06/813773106.db2.gz HFNMNRMDJQBPMQ-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208608323 813773110 /nfs/dbraw/zinc/77/31/10/813773110.db2.gz HFNMNRMDJQBPMQ-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)c1 ZINC001208608323 813773115 /nfs/dbraw/zinc/77/31/15/813773115.db2.gz HFNMNRMDJQBPMQ-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001208608323 813773118 /nfs/dbraw/zinc/77/31/18/813773118.db2.gz HFNMNRMDJQBPMQ-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001208618178 813776879 /nfs/dbraw/zinc/77/68/79/813776879.db2.gz SBJTUPSYLYXMHC-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001208618178 813776885 /nfs/dbraw/zinc/77/68/85/813776885.db2.gz SBJTUPSYLYXMHC-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208618178 813776893 /nfs/dbraw/zinc/77/68/93/813776893.db2.gz SBJTUPSYLYXMHC-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208618178 813776898 /nfs/dbraw/zinc/77/68/98/813776898.db2.gz SBJTUPSYLYXMHC-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP C[N@H+](CCCc1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC001208773389 813839713 /nfs/dbraw/zinc/83/97/13/813839713.db2.gz QMVKJCDYTVAXIZ-UHFFFAOYSA-N 2 1 278.415 3.176 20 0 CGADMP CCC[N@H+](CCCc1ccccc1OC)CCC[NH+](C)C ZINC001208842022 813861560 /nfs/dbraw/zinc/86/15/60/813861560.db2.gz RWWUDPJXHCWJFR-UHFFFAOYSA-N 2 1 292.467 3.292 20 0 CGADMP C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927722 813901230 /nfs/dbraw/zinc/90/12/30/813901230.db2.gz DLIDLFQVJWIHTH-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927722 813901236 /nfs/dbraw/zinc/90/12/36/813901236.db2.gz DLIDLFQVJWIHTH-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927722 813901243 /nfs/dbraw/zinc/90/12/43/813901243.db2.gz DLIDLFQVJWIHTH-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927722 813901248 /nfs/dbraw/zinc/90/12/48/813901248.db2.gz DLIDLFQVJWIHTH-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1ccc(F)c(F)c1 ZINC001209245363 813982196 /nfs/dbraw/zinc/98/21/96/813982196.db2.gz HYHWSFKMILJWEF-UHFFFAOYSA-N 2 1 284.394 3.171 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209420422 814022222 /nfs/dbraw/zinc/02/22/22/814022222.db2.gz DFAPGFDKIOVWBJ-LPHOPBHVSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209432266 814032835 /nfs/dbraw/zinc/03/28/35/814032835.db2.gz PXOPJJBEZUXZEZ-GOEBONIOSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209432266 814032843 /nfs/dbraw/zinc/03/28/43/814032843.db2.gz PXOPJJBEZUXZEZ-GOEBONIOSA-N 2 1 290.426 3.378 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209447698 814046024 /nfs/dbraw/zinc/04/60/24/814046024.db2.gz CQCAVYMTQZQBQT-UHFFFAOYSA-N 2 1 272.436 3.229 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209447698 814046026 /nfs/dbraw/zinc/04/60/26/814046026.db2.gz CQCAVYMTQZQBQT-UHFFFAOYSA-N 2 1 272.436 3.229 20 0 CGADMP C[NH+](C)Cc1ccccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209848597 814167600 /nfs/dbraw/zinc/16/76/00/814167600.db2.gz LYDMBKQZEUDRKA-UHFFFAOYSA-N 2 1 266.348 3.368 20 0 CGADMP C[C@H]1CC[N@H+](Cc2cccc3sccc32)CC[NH2+]1 ZINC001210496711 814489421 /nfs/dbraw/zinc/48/94/21/814489421.db2.gz IYWHFOHEOANFGC-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3sccc32)CC[NH2+]1 ZINC001210496711 814489422 /nfs/dbraw/zinc/48/94/22/814489422.db2.gz IYWHFOHEOANFGC-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP CCn1c2ccccc2c2cc(C[NH+]3CC(C[NH3+])C3)ccc21 ZINC001210543618 814517608 /nfs/dbraw/zinc/51/76/08/814517608.db2.gz GUEGPEBSLLENNL-UHFFFAOYSA-N 2 1 293.414 3.205 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001210561909 814527493 /nfs/dbraw/zinc/52/74/93/814527493.db2.gz XSWCSJWGPJHZMT-HEHGZKQESA-N 2 1 294.389 3.097 20 0 CGADMP C[C@H]1C[N@H+](C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001210561909 814527498 /nfs/dbraw/zinc/52/74/98/814527498.db2.gz XSWCSJWGPJHZMT-HEHGZKQESA-N 2 1 294.389 3.097 20 0 CGADMP C[NH2+]Cc1cccc(Nc2cc(OC)c(C)c[nH+]2)c1F ZINC001216223241 815743036 /nfs/dbraw/zinc/74/30/36/815743036.db2.gz OBYLJYGUEQNEBC-UHFFFAOYSA-N 2 1 275.327 3.001 20 0 CGADMP C(C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)C1CC1 ZINC001222154129 816361438 /nfs/dbraw/zinc/36/14/38/816361438.db2.gz FZCXBQSFZWUYEK-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)o1 ZINC001222162122 816365911 /nfs/dbraw/zinc/36/59/11/816365911.db2.gz YWRDYLMDFUCTML-KRWDZBQOSA-N 2 1 276.424 3.334 20 0 CGADMP Cc1cnccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222162064 816366738 /nfs/dbraw/zinc/36/67/38/816366738.db2.gz XCYFUBZGHULPFN-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222167303 816368202 /nfs/dbraw/zinc/36/82/02/816368202.db2.gz KEZCAUQZIQPCCT-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222167303 816368208 /nfs/dbraw/zinc/36/82/08/816368208.db2.gz KEZCAUQZIQPCCT-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181521 816369109 /nfs/dbraw/zinc/36/91/09/816369109.db2.gz LLZWKPNQNUXYJC-QGZVFWFLSA-N 2 1 294.483 3.213 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@]23CCC[NH2+]C3)o1 ZINC001222231412 816379233 /nfs/dbraw/zinc/37/92/33/816379233.db2.gz LWAZQDFAMYNCLP-YOEHRIQHSA-N 2 1 276.424 3.300 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@]23CCC[NH2+]C3)o1 ZINC001222231412 816379242 /nfs/dbraw/zinc/37/92/42/816379242.db2.gz LWAZQDFAMYNCLP-YOEHRIQHSA-N 2 1 276.424 3.300 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222230849 816380143 /nfs/dbraw/zinc/38/01/43/816380143.db2.gz FEVBOAXXUXBAFP-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cccc2n1 ZINC001222259220 816389095 /nfs/dbraw/zinc/38/90/95/816389095.db2.gz MEBXDZJFAUVMCU-IBGZPJMESA-N 2 1 295.430 3.261 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cccc2n1 ZINC001222259220 816389102 /nfs/dbraw/zinc/38/91/02/816389102.db2.gz MEBXDZJFAUVMCU-IBGZPJMESA-N 2 1 295.430 3.261 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cccc2n1 ZINC001222259221 816389686 /nfs/dbraw/zinc/38/96/86/816389686.db2.gz MEBXDZJFAUVMCU-LJQANCHMSA-N 2 1 295.430 3.261 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cccc2n1 ZINC001222259221 816389694 /nfs/dbraw/zinc/38/96/94/816389694.db2.gz MEBXDZJFAUVMCU-LJQANCHMSA-N 2 1 295.430 3.261 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222272351 816392271 /nfs/dbraw/zinc/39/22/71/816392271.db2.gz RPZDOYAVKDJKIK-KRWDZBQOSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222272351 816392282 /nfs/dbraw/zinc/39/22/82/816392282.db2.gz RPZDOYAVKDJKIK-KRWDZBQOSA-N 2 1 276.399 3.100 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222320286 816408642 /nfs/dbraw/zinc/40/86/42/816408642.db2.gz GBNPITYXILRXQE-GOSISDBHSA-N 2 1 289.467 3.420 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001222346775 816415474 /nfs/dbraw/zinc/41/54/74/816415474.db2.gz SIEPTIXMDQRBJL-YESZJQIVSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360678 816418665 /nfs/dbraw/zinc/41/86/65/816418665.db2.gz SIPGEZDVELRSSR-ZWKOTPCHSA-N 2 1 294.483 3.213 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360678 816418672 /nfs/dbraw/zinc/41/86/72/816418672.db2.gz SIPGEZDVELRSSR-ZWKOTPCHSA-N 2 1 294.483 3.213 20 0 CGADMP CCc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222360515 816419320 /nfs/dbraw/zinc/41/93/20/816419320.db2.gz QZACZGPHHYRSSS-GOSISDBHSA-N 2 1 272.436 3.275 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222360515 816419321 /nfs/dbraw/zinc/41/93/21/816419321.db2.gz QZACZGPHHYRSSS-GOSISDBHSA-N 2 1 272.436 3.275 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)oc1C ZINC001222596420 816474314 /nfs/dbraw/zinc/47/43/14/816474314.db2.gz VVMTWHKQGSSEOS-SFHVURJKSA-N 2 1 296.414 3.085 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)oc1C ZINC001222596420 816474319 /nfs/dbraw/zinc/47/43/19/816474319.db2.gz VVMTWHKQGSSEOS-SFHVURJKSA-N 2 1 296.414 3.085 20 0 CGADMP CCC(CC)C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595665 816475128 /nfs/dbraw/zinc/47/51/28/816475128.db2.gz GGPHJMFJIPVOCK-KRWDZBQOSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222620761 816480443 /nfs/dbraw/zinc/48/04/43/816480443.db2.gz ZKIMWMDSWNYRGQ-DOTOQJQBSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222630081 816483757 /nfs/dbraw/zinc/48/37/57/816483757.db2.gz YFMZTDAPCZUHNY-CALCHBBNSA-N 2 1 286.463 3.416 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](Oc2cc(N)[nH+]c3ccccc32)C1 ZINC001226422976 817352931 /nfs/dbraw/zinc/35/29/31/817352931.db2.gz PNWZAYXCNUGZJL-CYBMUJFWSA-N 2 1 285.391 3.069 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](Oc2cc(N)[nH+]c3ccccc32)C1 ZINC001226422976 817352940 /nfs/dbraw/zinc/35/29/40/817352940.db2.gz PNWZAYXCNUGZJL-CYBMUJFWSA-N 2 1 285.391 3.069 20 0 CGADMP CC[N@H+]1CC[C@H](Oc2ccc3ccccc3c2C[NH+](C)C)C1 ZINC001228441964 817906606 /nfs/dbraw/zinc/90/66/06/817906606.db2.gz PCRWHSODBSWLHQ-INIZCTEOSA-N 2 1 298.430 3.374 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001232014459 818232130 /nfs/dbraw/zinc/23/21/30/818232130.db2.gz PVNKGSUGVQOGCS-QGZVFWFLSA-N 2 1 278.359 3.295 20 0 CGADMP FC(F)(F)C1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232011710 818232806 /nfs/dbraw/zinc/23/28/06/818232806.db2.gz OEKBJTRBPXABGA-UHFFFAOYSA-N 2 1 283.297 3.337 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2ncsc2c1 ZINC001232742443 818431173 /nfs/dbraw/zinc/43/11/73/818431173.db2.gz VVNSLLUYALKNOA-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2ncsc2c1 ZINC001232742443 818431176 /nfs/dbraw/zinc/43/11/76/818431176.db2.gz VVNSLLUYALKNOA-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C2CC2)cc1 ZINC001232982388 818489397 /nfs/dbraw/zinc/48/93/97/818489397.db2.gz BKWOJPULTGZUDZ-UHFFFAOYSA-N 2 1 272.436 3.482 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C2CC2)cc1 ZINC001232982388 818489402 /nfs/dbraw/zinc/48/94/02/818489402.db2.gz BKWOJPULTGZUDZ-UHFFFAOYSA-N 2 1 272.436 3.482 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)cc1O ZINC001233235098 818547724 /nfs/dbraw/zinc/54/77/24/818547724.db2.gz JQFMKLOCNOGJPB-UHFFFAOYSA-N 2 1 276.424 3.005 20 0 CGADMP COc1cc(C[N@@H+](C)C2CCCC2)ccc1-n1ccnc1 ZINC001234066209 818771112 /nfs/dbraw/zinc/77/11/12/818771112.db2.gz JAWZPUWAWOCAKI-UHFFFAOYSA-N 2 1 285.391 3.255 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001234990096 818969469 /nfs/dbraw/zinc/96/94/69/818969469.db2.gz BZGJSSTYHMDJNH-LJQANCHMSA-N 2 1 286.463 3.430 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC001234998244 818971584 /nfs/dbraw/zinc/97/15/84/818971584.db2.gz GWQARNBPVFUBKQ-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2o1 ZINC001234995067 818972526 /nfs/dbraw/zinc/97/25/26/818972526.db2.gz WVDXQQGIHUVJFV-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP c1cc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2o1 ZINC001234995067 818972523 /nfs/dbraw/zinc/97/25/23/818972523.db2.gz WVDXQQGIHUVJFV-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP Cc1csc2sc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c(C)c12 ZINC001235023386 818980446 /nfs/dbraw/zinc/98/04/46/818980446.db2.gz AHCSJTNBRVUWBS-UHFFFAOYSA-N 2 1 292.473 3.375 20 0 CGADMP Cc1csc2sc(C[N@H+]3CCC4(C[NH2+]C4)C3)c(C)c12 ZINC001235023386 818980450 /nfs/dbraw/zinc/98/04/50/818980450.db2.gz AHCSJTNBRVUWBS-UHFFFAOYSA-N 2 1 292.473 3.375 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032407 818984478 /nfs/dbraw/zinc/98/44/78/818984478.db2.gz LLYSHTAKCJEQEU-IBGZPJMESA-N 2 1 280.415 3.334 20 0 CGADMP Fc1cc(F)cc(CC[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042270 818988438 /nfs/dbraw/zinc/98/84/38/818988438.db2.gz XJLGKMBLAKNMHL-QGZVFWFLSA-N 2 1 294.389 3.115 20 0 CGADMP Fc1cc(F)cc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042270 818988442 /nfs/dbraw/zinc/98/84/42/818988442.db2.gz XJLGKMBLAKNMHL-QGZVFWFLSA-N 2 1 294.389 3.115 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235041313 818988505 /nfs/dbraw/zinc/98/85/05/818988505.db2.gz PEIQAIGOMCZDDG-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP CC1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCCCC1 ZINC001235093781 818999379 /nfs/dbraw/zinc/99/93/79/818999379.db2.gz SEQQYMXYOBFBJH-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112162 819007412 /nfs/dbraw/zinc/00/74/12/819007412.db2.gz XKOJXAKDZXQEAU-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP CC1(C[N@H+]2CCCC23CC[NH2+]CC3)CCCCC1 ZINC001235139731 819015698 /nfs/dbraw/zinc/01/56/98/819015698.db2.gz CRRODOKYGGKWCL-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146193 819016670 /nfs/dbraw/zinc/01/66/70/819016670.db2.gz IYWYUHWSHROGSM-FNHZYXHNSA-N 2 1 286.463 3.196 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146193 819016677 /nfs/dbraw/zinc/01/66/77/819016677.db2.gz IYWYUHWSHROGSM-FNHZYXHNSA-N 2 1 286.463 3.196 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235150998 819017139 /nfs/dbraw/zinc/01/71/39/819017139.db2.gz CGCAZLLKPUBIAX-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c1)CCN2 ZINC001235155704 819018566 /nfs/dbraw/zinc/01/85/66/819018566.db2.gz MNBBCVUZENIWBT-IBGZPJMESA-N 2 1 299.462 3.009 20 0 CGADMP Fc1ccccc1CC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151891 819018740 /nfs/dbraw/zinc/01/87/40/819018740.db2.gz JEHFYTCWDYXXSV-GOSISDBHSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001235175526 819024589 /nfs/dbraw/zinc/02/45/89/819024589.db2.gz XCHKSFTXDVXARA-WMZOPIPTSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189247 819029114 /nfs/dbraw/zinc/02/91/14/819029114.db2.gz FFASWHFBKAXQII-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)o1 ZINC001235192643 819031580 /nfs/dbraw/zinc/03/15/80/819031580.db2.gz FLUNFDUFBSAYAO-QZTJIDSGSA-N 2 1 296.414 3.296 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236345 819043329 /nfs/dbraw/zinc/04/33/29/819043329.db2.gz YFXIZOCASAIDQC-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236345 819043334 /nfs/dbraw/zinc/04/33/34/819043334.db2.gz YFXIZOCASAIDQC-XHSDSOJGSA-N 2 1 250.430 3.195 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)n1 ZINC001235261760 819055570 /nfs/dbraw/zinc/05/55/70/819055570.db2.gz AUXDHXQIZDUTTK-QGZVFWFLSA-N 2 1 297.402 3.001 20 0 CGADMP CCc1cccc(CN2CC[C@@H](Oc3ccncc3C)C2)n1 ZINC001235261760 819055577 /nfs/dbraw/zinc/05/55/77/819055577.db2.gz AUXDHXQIZDUTTK-QGZVFWFLSA-N 2 1 297.402 3.001 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235262695 819055882 /nfs/dbraw/zinc/05/58/82/819055882.db2.gz RVFGCNMWPXQHCT-YLJYHZDGSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235262695 819055888 /nfs/dbraw/zinc/05/58/88/819055888.db2.gz RVFGCNMWPXQHCT-YLJYHZDGSA-N 2 1 292.426 3.456 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001235362949 819080693 /nfs/dbraw/zinc/08/06/93/819080693.db2.gz PMCAMFKBFPFIQJ-SJORKVTESA-N 2 1 262.441 3.492 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001235362949 819080696 /nfs/dbraw/zinc/08/06/96/819080696.db2.gz PMCAMFKBFPFIQJ-SJORKVTESA-N 2 1 262.441 3.492 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380180 819081579 /nfs/dbraw/zinc/08/15/79/819081579.db2.gz SXTGQVGBPKEIBO-JQHSSLGASA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235407603 819087517 /nfs/dbraw/zinc/08/75/17/819087517.db2.gz SMTCHYMUOGQDOG-YESZJQIVSA-N 2 1 282.447 3.392 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235420733 819091758 /nfs/dbraw/zinc/09/17/58/819091758.db2.gz ANWFXLZHVOGWJI-CHWSQXEVSA-N 2 1 282.815 3.145 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426629 819092286 /nfs/dbraw/zinc/09/22/86/819092286.db2.gz OSPAVKCZHORIJE-JNXQLMTMSA-N 2 1 250.430 3.054 20 0 CGADMP Fc1cccc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235428228 819094039 /nfs/dbraw/zinc/09/40/39/819094039.db2.gz UODXNGHXSOVPCY-IRXDYDNUSA-N 2 1 290.426 3.080 20 0 CGADMP Cc1cc(OCc2ccccc2)ccc1C[N@@H+](C)CCC[NH3+] ZINC001235435559 819098486 /nfs/dbraw/zinc/09/84/86/819098486.db2.gz PFSCTSQXSLSXFC-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2COC(C)(C)[NH2+]2)cc1 ZINC001235677825 819138803 /nfs/dbraw/zinc/13/88/03/819138803.db2.gz JCAKKTHWGNPBQJ-IRXDYDNUSA-N 2 1 288.435 3.247 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2COC(C)(C)[NH2+]2)cc1 ZINC001235677825 819138806 /nfs/dbraw/zinc/13/88/06/819138806.db2.gz JCAKKTHWGNPBQJ-IRXDYDNUSA-N 2 1 288.435 3.247 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001235693908 819143686 /nfs/dbraw/zinc/14/36/86/819143686.db2.gz JPMILMHXKNGTNH-AWEZNQCLSA-N 2 1 252.789 3.216 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710584 819147110 /nfs/dbraw/zinc/14/71/10/819147110.db2.gz BUJDBUZCTCJYEF-UHFFFAOYSA-N 2 1 286.444 3.395 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235840344 819182001 /nfs/dbraw/zinc/18/20/01/819182001.db2.gz LDYBZTVOGCIEPQ-INIZCTEOSA-N 2 1 290.451 3.132 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001235843555 819184996 /nfs/dbraw/zinc/18/49/96/819184996.db2.gz YTAYQMXYMFAJLE-KRWDZBQOSA-N 2 1 280.415 3.395 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001235866344 819190332 /nfs/dbraw/zinc/19/03/32/819190332.db2.gz IUJOUPXOCDSMPM-SJORKVTESA-N 2 1 276.468 3.421 20 0 CGADMP Clc1ccc([C@H]2CC[N@H+](CC3C[NH2+]C3)C2)cc1Cl ZINC001235881042 819194944 /nfs/dbraw/zinc/19/49/44/819194944.db2.gz DCJICCMRVLSBFH-LBPRGKRZSA-N 2 1 285.218 3.002 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+](CC3C[NH2+]C3)C2)cc1Cl ZINC001235881042 819194947 /nfs/dbraw/zinc/19/49/47/819194947.db2.gz DCJICCMRVLSBFH-LBPRGKRZSA-N 2 1 285.218 3.002 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2cccccc1-2 ZINC001235890383 819198855 /nfs/dbraw/zinc/19/88/55/819198855.db2.gz DXPYGZTYTJPBHW-XJKSGUPXSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2cccccc1-2 ZINC001235890383 819198856 /nfs/dbraw/zinc/19/88/56/819198856.db2.gz DXPYGZTYTJPBHW-XJKSGUPXSA-N 2 1 254.377 3.103 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001235894449 819204298 /nfs/dbraw/zinc/20/42/98/819204298.db2.gz WYQTXNJJLIFURW-JKSUJKDBSA-N 2 1 262.441 3.031 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c1Cl ZINC001235925681 819224996 /nfs/dbraw/zinc/22/49/96/819224996.db2.gz OVSQEOHUEWEGHD-LBPRGKRZSA-N 2 1 270.779 3.101 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c1Cl ZINC001235925681 819225002 /nfs/dbraw/zinc/22/50/02/819225002.db2.gz OVSQEOHUEWEGHD-LBPRGKRZSA-N 2 1 270.779 3.101 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1Cl ZINC001235925577 819225237 /nfs/dbraw/zinc/22/52/37/819225237.db2.gz LDOXBJYZYDHSSK-AWEZNQCLSA-N 2 1 296.842 3.440 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1Cl ZINC001235925577 819225240 /nfs/dbraw/zinc/22/52/40/819225240.db2.gz LDOXBJYZYDHSSK-AWEZNQCLSA-N 2 1 296.842 3.440 20 0 CGADMP Clc1ccc(CC[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235929786 819228134 /nfs/dbraw/zinc/22/81/34/819228134.db2.gz UBNKQHVXTJEOHY-OLZOCXBDSA-N 2 1 299.245 3.077 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235949351 819239644 /nfs/dbraw/zinc/23/96/44/819239644.db2.gz GHWZPALLZTTYMO-WFASDCNBSA-N 2 1 296.842 3.447 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235949351 819239649 /nfs/dbraw/zinc/23/96/49/819239649.db2.gz GHWZPALLZTTYMO-WFASDCNBSA-N 2 1 296.842 3.447 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)C[C@@H]1CCC[NH2+]C1 ZINC001235950381 819240235 /nfs/dbraw/zinc/24/02/35/819240235.db2.gz DDVVWWNXSDYCTH-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP c1c(C[N@H+]2CC[C@H]2c2ccccc2)sc2c1C[NH2+]CC2 ZINC001235949866 819240496 /nfs/dbraw/zinc/24/04/96/819240496.db2.gz VTDQSXVUWYSLNM-INIZCTEOSA-N 2 1 284.428 3.341 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc(C)c1Cl ZINC001235957453 819245130 /nfs/dbraw/zinc/24/51/30/819245130.db2.gz OOBDVBVHJMOKNO-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP CC(C)c1ccccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957286 819245590 /nfs/dbraw/zinc/24/55/90/819245590.db2.gz MCNRLAOEWRRMCU-HNNXBMFYSA-N 2 1 260.425 3.241 20 0 CGADMP CCc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001235957321 819245725 /nfs/dbraw/zinc/24/57/25/819245725.db2.gz MWCHBUJHKFRSDD-AWEZNQCLSA-N 2 1 280.843 3.334 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C1(C)C ZINC001235958489 819246496 /nfs/dbraw/zinc/24/64/96/819246496.db2.gz GEOIQBGJEGLGRI-FZKCQIBNSA-N 2 1 262.441 3.038 20 0 CGADMP CCc1ccc(C[N@H+](C)C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235959341 819247077 /nfs/dbraw/zinc/24/70/77/819247077.db2.gz HYUIEBXWAFKVSD-BBRMVZONSA-N 2 1 296.405 3.172 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235959341 819247079 /nfs/dbraw/zinc/24/70/79/819247079.db2.gz HYUIEBXWAFKVSD-BBRMVZONSA-N 2 1 296.405 3.172 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235959620 819248332 /nfs/dbraw/zinc/24/83/32/819248332.db2.gz LQHSFADXFWCXHM-JLVBRIDZSA-N 2 1 282.387 3.116 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001235959103 819248454 /nfs/dbraw/zinc/24/84/54/819248454.db2.gz SQYJBTHYKQSGEE-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980951 819256266 /nfs/dbraw/zinc/25/62/66/819256266.db2.gz SOWSDAFNDRMSOP-DZGCQCFKSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980951 819256272 /nfs/dbraw/zinc/25/62/72/819256272.db2.gz SOWSDAFNDRMSOP-DZGCQCFKSA-N 2 1 298.352 3.061 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235976648 819256948 /nfs/dbraw/zinc/25/69/48/819256948.db2.gz BHDZWMMIEPDZIK-JNXQLMTMSA-N 2 1 250.430 3.326 20 0 CGADMP Cc1cc(F)cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1Cl ZINC001236004791 819271063 /nfs/dbraw/zinc/27/10/63/819271063.db2.gz FNLINEXNWSERNW-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)c(C)c1C ZINC001236046722 819283997 /nfs/dbraw/zinc/28/39/97/819283997.db2.gz HTVVAIOKIDWTDS-DIFFPNOSSA-N 2 1 274.452 3.398 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)c(C)c1C ZINC001236046722 819284003 /nfs/dbraw/zinc/28/40/03/819284003.db2.gz HTVVAIOKIDWTDS-DIFFPNOSSA-N 2 1 274.452 3.398 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)s1 ZINC001236068167 819297927 /nfs/dbraw/zinc/29/79/27/819297927.db2.gz UNBOIABCMRHXKO-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP CC1(C[N@H+]2CCc3c4ccccc4oc3C2)CC[NH2+]CC1 ZINC001236086778 819307865 /nfs/dbraw/zinc/30/78/65/819307865.db2.gz TWWOFCGWZAHFPP-UHFFFAOYSA-N 2 1 284.403 3.181 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001236096766 819314907 /nfs/dbraw/zinc/31/49/07/819314907.db2.gz FYDUJCIEPPWHAJ-BJJXKVORSA-N 2 1 278.827 3.127 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+](C)CCCC[NH3+])c(C)c1C ZINC001236141559 819342020 /nfs/dbraw/zinc/34/20/20/819342020.db2.gz JCFHFWJLNCCEDS-UHFFFAOYSA-N 2 1 262.441 3.399 20 0 CGADMP CC[N@H+](CC[NH2+]C)CC[C@H](C)CCCC(C)(C)OC ZINC001236143430 819343849 /nfs/dbraw/zinc/34/38/49/819343849.db2.gz JZDOPNUZPXPGGK-OAHLLOKOSA-N 2 1 272.477 3.149 20 0 CGADMP CC[N@@H+](CC[NH2+]C)CC[C@H](C)CCCC(C)(C)OC ZINC001236143430 819343854 /nfs/dbraw/zinc/34/38/54/819343854.db2.gz JZDOPNUZPXPGGK-OAHLLOKOSA-N 2 1 272.477 3.149 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001236151577 819347192 /nfs/dbraw/zinc/34/71/92/819347192.db2.gz AALOAIIFVQXBDC-CQSZACIVSA-N 2 1 252.789 3.216 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC001236200018 819365821 /nfs/dbraw/zinc/36/58/21/819365821.db2.gz HMZNATAJTMDZDT-KRWDZBQOSA-N 2 1 260.425 3.186 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC001236200018 819365823 /nfs/dbraw/zinc/36/58/23/819365823.db2.gz HMZNATAJTMDZDT-KRWDZBQOSA-N 2 1 260.425 3.186 20 0 CGADMP C[N@H+](Cc1ccc2cccccc1-2)[C@@]1(C)CCC[NH2+]C1 ZINC001236206688 819368568 /nfs/dbraw/zinc/36/85/68/819368568.db2.gz KWDICLOMFZPXEY-SFHVURJKSA-N 2 1 268.404 3.365 20 0 CGADMP C[N@@H+](Cc1ccc2cccccc1-2)[C@@]1(C)CCC[NH2+]C1 ZINC001236206688 819368574 /nfs/dbraw/zinc/36/85/74/819368574.db2.gz KWDICLOMFZPXEY-SFHVURJKSA-N 2 1 268.404 3.365 20 0 CGADMP C[N@@H+](Cc1ccc(O)c2ccccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213134 819376608 /nfs/dbraw/zinc/37/66/08/819376608.db2.gz NQFQLPBRUICISF-IAGOWNOFSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@H+](Cc1cccc2occc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217227 819381727 /nfs/dbraw/zinc/38/17/27/819381727.db2.gz OFZCKXWBYQGXOG-GJZGRUSLSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1cccc2occc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217227 819381732 /nfs/dbraw/zinc/38/17/32/819381732.db2.gz OFZCKXWBYQGXOG-GJZGRUSLSA-N 2 1 258.365 3.135 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219191 819386809 /nfs/dbraw/zinc/38/68/09/819386809.db2.gz VMRUIDVOVGCUJN-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219191 819386813 /nfs/dbraw/zinc/38/68/13/819386813.db2.gz VMRUIDVOVGCUJN-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC001236219693 819386871 /nfs/dbraw/zinc/38/68/71/819386871.db2.gz XMUVKZRLCCIDSD-DLBZAZTESA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC001236219693 819386875 /nfs/dbraw/zinc/38/68/75/819386875.db2.gz XMUVKZRLCCIDSD-DLBZAZTESA-N 2 1 276.424 3.095 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236224800 819391643 /nfs/dbraw/zinc/39/16/43/819391643.db2.gz WZBAVEBDCCDDLA-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP COc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC001236245670 819403006 /nfs/dbraw/zinc/40/30/06/819403006.db2.gz QFIAXLBHALYMAH-GOSISDBHSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC001236245670 819403010 /nfs/dbraw/zinc/40/30/10/819403010.db2.gz QFIAXLBHALYMAH-GOSISDBHSA-N 2 1 296.414 3.285 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236246491 819403984 /nfs/dbraw/zinc/40/39/84/819403984.db2.gz DEAPGKKUXVAHSD-GFCCVEGCSA-N 2 1 260.406 3.133 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236246491 819403988 /nfs/dbraw/zinc/40/39/88/819403988.db2.gz DEAPGKKUXVAHSD-GFCCVEGCSA-N 2 1 260.406 3.133 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001236246720 819404209 /nfs/dbraw/zinc/40/42/09/819404209.db2.gz HYOQUVBAMHWYAA-QGZVFWFLSA-N 2 1 266.388 3.277 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001236246720 819404210 /nfs/dbraw/zinc/40/42/10/819404210.db2.gz HYOQUVBAMHWYAA-QGZVFWFLSA-N 2 1 266.388 3.277 20 0 CGADMP c1ccc(CC[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236271013 819411367 /nfs/dbraw/zinc/41/13/67/819411367.db2.gz XYHIKRXAGFKDLK-HXUWFJFHSA-N 2 1 294.442 3.483 20 0 CGADMP c1ccc(CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236271013 819411370 /nfs/dbraw/zinc/41/13/70/819411370.db2.gz XYHIKRXAGFKDLK-HXUWFJFHSA-N 2 1 294.442 3.483 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303517 819417121 /nfs/dbraw/zinc/41/71/21/819417121.db2.gz RLZHQFGRMJVRQS-AWEZNQCLSA-N 2 1 286.341 3.452 20 0 CGADMP CC[N@H+](CCc1ccc(OC)cc1)CC[C@@H]1CCCC[NH2+]1 ZINC001236303372 819417349 /nfs/dbraw/zinc/41/73/49/819417349.db2.gz QHCJCYYCPIDIBC-KRWDZBQOSA-N 2 1 290.451 3.092 20 0 CGADMP COCC[N@H+](C[C@H](C)CCC=C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236328329 819426830 /nfs/dbraw/zinc/42/68/30/819426830.db2.gz PESBCMRBXZTCMC-IAGOWNOFSA-N 2 1 282.472 3.069 20 0 CGADMP COCC[N@@H+](C[C@H](C)CCC=C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236328329 819426837 /nfs/dbraw/zinc/42/68/37/819426837.db2.gz PESBCMRBXZTCMC-IAGOWNOFSA-N 2 1 282.472 3.069 20 0 CGADMP COCC[N@H+](CC[C@@H](C)CCC=C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236328280 819426990 /nfs/dbraw/zinc/42/69/90/819426990.db2.gz OGPRFASRVUPXGQ-ZWKOTPCHSA-N 2 1 296.499 3.459 20 0 CGADMP COCC[N@@H+](CC[C@@H](C)CCC=C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236328280 819426993 /nfs/dbraw/zinc/42/69/93/819426993.db2.gz OGPRFASRVUPXGQ-ZWKOTPCHSA-N 2 1 296.499 3.459 20 0 CGADMP COCC[N@H+](CC[C@@H]1CC=C(C)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC001236331137 819428329 /nfs/dbraw/zinc/42/83/29/819428329.db2.gz WQBUBFSAVFBJMW-IRXDYDNUSA-N 2 1 294.483 3.069 20 0 CGADMP COCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC001236331137 819428333 /nfs/dbraw/zinc/42/83/33/819428333.db2.gz WQBUBFSAVFBJMW-IRXDYDNUSA-N 2 1 294.483 3.069 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366567 819437153 /nfs/dbraw/zinc/43/71/53/819437153.db2.gz DPJKQHINLNASQG-UHFFFAOYSA-N 2 1 264.388 3.180 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366567 819437158 /nfs/dbraw/zinc/43/71/58/819437158.db2.gz DPJKQHINLNASQG-UHFFFAOYSA-N 2 1 264.388 3.180 20 0 CGADMP c1csc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236373420 819442299 /nfs/dbraw/zinc/44/22/99/819442299.db2.gz HNZWYRNXKVWQKY-CQSZACIVSA-N 2 1 278.465 3.492 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236410893 819457973 /nfs/dbraw/zinc/45/79/73/819457973.db2.gz LFYGVZONJUYJAF-WQANXHIZSA-N 2 1 286.463 3.138 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236415046 819460982 /nfs/dbraw/zinc/46/09/82/819460982.db2.gz NSGJIVPJCQXQAG-HRCADAONSA-N 2 1 284.488 3.420 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@H](C)CCCC(C)(C)OC ZINC001236417728 819463657 /nfs/dbraw/zinc/46/36/57/819463657.db2.gz FLBVAFZJXMSHLB-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H](C)CCCC(C)(C)OC ZINC001236417728 819463660 /nfs/dbraw/zinc/46/36/60/819463660.db2.gz FLBVAFZJXMSHLB-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@](F)(C[NH3+])C2)cc1 ZINC001236433711 819476865 /nfs/dbraw/zinc/47/68/65/819476865.db2.gz HNTRPXOTVMTWJT-CRAIPNDOSA-N 2 1 292.442 3.361 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001236435699 819478663 /nfs/dbraw/zinc/47/86/63/819478663.db2.gz UXZQAPYKCGZZPD-KBXCAEBGSA-N 2 1 286.394 3.316 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001236435699 819478666 /nfs/dbraw/zinc/47/86/66/819478666.db2.gz UXZQAPYKCGZZPD-KBXCAEBGSA-N 2 1 286.394 3.316 20 0 CGADMP Cc1cc(O)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457100 819485087 /nfs/dbraw/zinc/48/50/87/819485087.db2.gz IJXZGWJFGMQKNW-UHFFFAOYSA-N 2 1 290.451 3.301 20 0 CGADMP CC(C)[N@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236467796 819488639 /nfs/dbraw/zinc/48/86/39/819488639.db2.gz JPTROTBFJNEZOR-LJQANCHMSA-N 2 1 297.446 3.440 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236467796 819488644 /nfs/dbraw/zinc/48/86/44/819488644.db2.gz JPTROTBFJNEZOR-LJQANCHMSA-N 2 1 297.446 3.440 20 0 CGADMP COCc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236476403 819494469 /nfs/dbraw/zinc/49/44/69/819494469.db2.gz XNMYYGOUYQHQLB-GOSISDBHSA-N 2 1 290.451 3.043 20 0 CGADMP COCc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236476403 819494475 /nfs/dbraw/zinc/49/44/75/819494475.db2.gz XNMYYGOUYQHQLB-GOSISDBHSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1ccc(C[N@H+](CC(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001236488746 819500829 /nfs/dbraw/zinc/50/08/29/819500829.db2.gz BOTRYVDBTIIDAD-UHFFFAOYSA-N 2 1 278.415 3.344 20 0 CGADMP COc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543059 819529728 /nfs/dbraw/zinc/52/97/28/819529728.db2.gz MLFFNSJKXHUGHE-QAQDUYKDSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1ccc(O)cc1C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554539 819535012 /nfs/dbraw/zinc/53/50/12/819535012.db2.gz JVWCBPRPGOOVNF-QAQDUYKDSA-N 2 1 290.451 3.429 20 0 CGADMP Cn1c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc2ccccc21 ZINC001236599837 819548473 /nfs/dbraw/zinc/54/84/73/819548473.db2.gz WLFOCPYOVIJRCW-HNNXBMFYSA-N 2 1 297.446 3.142 20 0 CGADMP Cn1c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc2ccccc21 ZINC001236599837 819548477 /nfs/dbraw/zinc/54/84/77/819548477.db2.gz WLFOCPYOVIJRCW-HNNXBMFYSA-N 2 1 297.446 3.142 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2occc21 ZINC001236743139 819590645 /nfs/dbraw/zinc/59/06/45/819590645.db2.gz JTBACDZGNRHEFR-UHFFFAOYSA-N 2 1 272.392 3.351 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC001236832352 819611475 /nfs/dbraw/zinc/61/14/75/819611475.db2.gz VAYXSYMATAUICH-BZSNNMDCSA-N 2 1 272.436 3.198 20 0 CGADMP CCC[N@H+](Cc1c(C)[nH]c2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236833973 819613685 /nfs/dbraw/zinc/61/36/85/819613685.db2.gz DUMAJNZNBVBKIK-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236836000 819614601 /nfs/dbraw/zinc/61/46/01/819614601.db2.gz SIFQMIOGJWSLMT-AWEZNQCLSA-N 2 1 266.816 3.162 20 0 CGADMP CCC[N@H+](Cc1ccc2cc(C)ccc2n1)C[C@H]1CC[NH2+]C1 ZINC001236836537 819617134 /nfs/dbraw/zinc/61/71/34/819617134.db2.gz XAZWSZHBWHULCC-INIZCTEOSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(C)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236843357 819618382 /nfs/dbraw/zinc/61/83/82/819618382.db2.gz IFMTWZFVTGENAG-INIZCTEOSA-N 2 1 290.451 3.134 20 0 CGADMP CCC[N@H+](Cc1ccc(C2CC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236841881 819618908 /nfs/dbraw/zinc/61/89/08/819618908.db2.gz ANUOHYTWYUMXFB-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP CCC[N@H+](Cc1ccc(CC)s1)C[C@H]1CC[NH2+]C1 ZINC001236844584 819620852 /nfs/dbraw/zinc/62/08/52/819620852.db2.gz WKCJVZIIMLDUCM-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237056897 819654134 /nfs/dbraw/zinc/65/41/34/819654134.db2.gz KZSFIXXXPQVRGE-HOTGVXAUSA-N 2 1 252.446 3.430 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001237058380 819656368 /nfs/dbraw/zinc/65/63/68/819656368.db2.gz PLSPCGSGFAHIRI-MRXNPFEDSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237078813 819662246 /nfs/dbraw/zinc/66/22/46/819662246.db2.gz RVUGKJUXEXYZKO-UIBBOPPKSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237078813 819662251 /nfs/dbraw/zinc/66/22/51/819662251.db2.gz RVUGKJUXEXYZKO-UIBBOPPKSA-N 2 1 278.827 3.113 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203425 819697253 /nfs/dbraw/zinc/69/72/53/819697253.db2.gz GRLBWCOCDGNQEU-RKVPGOIHSA-N 2 1 274.452 3.410 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203425 819697258 /nfs/dbraw/zinc/69/72/58/819697258.db2.gz GRLBWCOCDGNQEU-RKVPGOIHSA-N 2 1 274.452 3.410 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001237327219 819728089 /nfs/dbraw/zinc/72/80/89/819728089.db2.gz OVRGUSMQNBFFJD-UHFFFAOYSA-N 2 1 274.452 3.474 20 0 CGADMP CCc1cccc(C)c1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001237327219 819728092 /nfs/dbraw/zinc/72/80/92/819728092.db2.gz OVRGUSMQNBFFJD-UHFFFAOYSA-N 2 1 274.452 3.474 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001237353805 819733387 /nfs/dbraw/zinc/73/33/87/819733387.db2.gz UVLAWQWHKCWJEJ-CABCVRRESA-N 2 1 292.854 3.340 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001237353805 819733391 /nfs/dbraw/zinc/73/33/91/819733391.db2.gz UVLAWQWHKCWJEJ-CABCVRRESA-N 2 1 292.854 3.340 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001237353805 819733393 /nfs/dbraw/zinc/73/33/93/819733393.db2.gz UVLAWQWHKCWJEJ-CABCVRRESA-N 2 1 292.854 3.340 20 0 CGADMP FC(F)c1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394828 819743421 /nfs/dbraw/zinc/74/34/21/819743421.db2.gz WHWXNUNJEOWUNR-HIFRSBDPSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394828 819743426 /nfs/dbraw/zinc/74/34/26/819743426.db2.gz WHWXNUNJEOWUNR-HIFRSBDPSA-N 2 1 280.362 3.198 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237412118 819746714 /nfs/dbraw/zinc/74/67/14/819746714.db2.gz FYEJEYDVMHBBAQ-MSOLQXFVSA-N 2 1 270.420 3.138 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2cccccc1-2 ZINC001237414996 819747335 /nfs/dbraw/zinc/74/73/35/819747335.db2.gz OJHQYGBKLAXQOD-HKUYNNGSSA-N 2 1 280.415 3.365 20 0 CGADMP CC[N@@H+]1C[C@H]2CN(Cc3cccc4c(F)cccc34)C[C@H]2C1 ZINC001237527118 819772356 /nfs/dbraw/zinc/77/23/56/819772356.db2.gz VZUXVDOGGLWSCH-IYBDPMFKSA-N 2 1 298.405 3.362 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237527118 819772364 /nfs/dbraw/zinc/77/23/64/819772364.db2.gz VZUXVDOGGLWSCH-IYBDPMFKSA-N 2 1 298.405 3.362 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237527118 819772368 /nfs/dbraw/zinc/77/23/68/819772368.db2.gz VZUXVDOGGLWSCH-IYBDPMFKSA-N 2 1 298.405 3.362 20 0 CGADMP C[N@H+](CCc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238103603 819933230 /nfs/dbraw/zinc/93/32/30/819933230.db2.gz NALKCIPJSCXTOH-UHFFFAOYSA-N 2 1 265.360 3.009 20 0 CGADMP C[N@@H+](CCc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238103603 819933238 /nfs/dbraw/zinc/93/32/38/819933238.db2.gz NALKCIPJSCXTOH-UHFFFAOYSA-N 2 1 265.360 3.009 20 0 CGADMP Cc1ccc(CC[N@@H+](C)Cc2cccc3c[nH+]cn32)cc1 ZINC001238117638 819939423 /nfs/dbraw/zinc/93/94/23/819939423.db2.gz CWGWJFLOBULGLH-UHFFFAOYSA-N 2 1 279.387 3.317 20 0 CGADMP Cc1ccc(CC[N@H+](C)Cc2cccc3c[nH+]cn32)cc1 ZINC001238117638 819939429 /nfs/dbraw/zinc/93/94/29/819939429.db2.gz CWGWJFLOBULGLH-UHFFFAOYSA-N 2 1 279.387 3.317 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1C ZINC001238211767 819957890 /nfs/dbraw/zinc/95/78/90/819957890.db2.gz IVZUWHJAYJSFGT-CVEARBPZSA-N 2 1 292.854 3.340 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC001238211767 819957891 /nfs/dbraw/zinc/95/78/91/819957891.db2.gz IVZUWHJAYJSFGT-CVEARBPZSA-N 2 1 292.854 3.340 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC001238211767 819957893 /nfs/dbraw/zinc/95/78/93/819957893.db2.gz IVZUWHJAYJSFGT-CVEARBPZSA-N 2 1 292.854 3.340 20 0 CGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3coc4ccccc34)cn12 ZINC001239062591 820210439 /nfs/dbraw/zinc/21/04/39/820210439.db2.gz YXXALQUBDGQOPK-UHFFFAOYSA-N 2 1 289.338 3.434 20 0 CGADMP CC[NH+](CC)Cc1cc(C2=CC[N@@H+](C)CC2)ccc1OC ZINC001241333839 821740421 /nfs/dbraw/zinc/74/04/21/821740421.db2.gz ZECYAJYUVDTNCI-UHFFFAOYSA-N 2 1 288.435 3.256 20 0 CGADMP C[N@H+]1CCC=C(c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001241569558 821955339 /nfs/dbraw/zinc/95/53/39/821955339.db2.gz GRANWSCCZKAQLX-UHFFFAOYSA-N 2 1 270.420 3.391 20 0 CGADMP CCOC(=[NH2+])c1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC001241916513 822216068 /nfs/dbraw/zinc/21/60/68/822216068.db2.gz AEQJFZCOFMWDDH-UHFFFAOYSA-N 2 1 254.333 3.174 20 0 CGADMP CC[NH+](CC)Cc1cccc(-c2c[nH+]c(N)cc2C)c1 ZINC001242096092 822350937 /nfs/dbraw/zinc/35/09/37/822350937.db2.gz AFVQSIHUJZACMX-UHFFFAOYSA-N 2 1 269.392 3.481 20 0 CGADMP CC[NH+](CC)Cc1cc(OC)ccc1-c1c[nH+]c(N)cc1C ZINC001242096537 822351560 /nfs/dbraw/zinc/35/15/60/822351560.db2.gz RRLNJBXGQPTDOE-UHFFFAOYSA-N 2 1 299.418 3.490 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001474360842 937853998 /nfs/dbraw/zinc/85/39/98/937853998.db2.gz GOFQRBRXUFENOG-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC001340517701 936407075 /nfs/dbraw/zinc/40/70/75/936407075.db2.gz VKDCHEUEKZDBLR-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001343334396 936495411 /nfs/dbraw/zinc/49/54/11/936495411.db2.gz SFBBNWAOHPLHFC-VVLHAWIVSA-N 2 1 262.441 3.005 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC001344438128 936534597 /nfs/dbraw/zinc/53/45/97/936534597.db2.gz LAJXYYLNXCZCAA-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncc(C)cc2C1 ZINC001167841790 927029991 /nfs/dbraw/zinc/02/99/91/927029991.db2.gz QWWXSINOEYQHLK-INIZCTEOSA-N 2 1 289.467 3.259 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](C)CC12CC2 ZINC001167841609 927030069 /nfs/dbraw/zinc/03/00/69/927030069.db2.gz NATBWIPOMUJWFW-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C)CC12CC2 ZINC001167841607 927030118 /nfs/dbraw/zinc/03/01/18/927030118.db2.gz NATBWIPOMUJWFW-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)CCC[NH+](CC)CC ZINC001167841860 927030344 /nfs/dbraw/zinc/03/03/44/927030344.db2.gz SODDEONFHWWOBX-QGZVFWFLSA-N 3 1 285.520 3.161 20 0 CGADMP CCC[N@H+](CCCN(C)C)[C@H](C)CCC[NH+](CC)CC ZINC001167841860 927030353 /nfs/dbraw/zinc/03/03/53/927030353.db2.gz SODDEONFHWWOBX-QGZVFWFLSA-N 2 1 285.520 3.161 20 0 CGADMP CCC[N@@H+](CCCN(C)C)[C@H](C)CCC[NH+](CC)CC ZINC001167841860 927030365 /nfs/dbraw/zinc/03/03/65/927030365.db2.gz SODDEONFHWWOBX-QGZVFWFLSA-N 2 1 285.520 3.161 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC2(C1)CCCCCC2 ZINC001307506385 927307059 /nfs/dbraw/zinc/30/70/59/927307059.db2.gz NGBAGXBPOSMHSD-KRWDZBQOSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC001307506385 927307072 /nfs/dbraw/zinc/30/70/72/927307072.db2.gz NGBAGXBPOSMHSD-KRWDZBQOSA-N 2 1 296.499 3.124 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC001307506385 927307087 /nfs/dbraw/zinc/30/70/87/927307087.db2.gz NGBAGXBPOSMHSD-KRWDZBQOSA-N 2 1 296.499 3.124 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001323134275 928518208 /nfs/dbraw/zinc/51/82/08/928518208.db2.gz JDKVSAAYCKKDKM-HZPDHXFCSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001323134275 928518219 /nfs/dbraw/zinc/51/82/19/928518219.db2.gz JDKVSAAYCKKDKM-HZPDHXFCSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1nc(C)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC001461432702 928755340 /nfs/dbraw/zinc/75/53/40/928755340.db2.gz RUTPUUWSHHJQHT-GFCCVEGCSA-N 2 1 281.469 3.114 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(C)c(F)c1 ZINC001459817593 937501503 /nfs/dbraw/zinc/50/15/03/937501503.db2.gz OFETWZVYTROVIS-MRXNPFEDSA-N 2 1 275.371 3.380 20 0 CGADMP Cc1cccc(C2([NH2+]CC[C@H]3CCC[N@@H+]3C)CCC2)c1 ZINC001460292793 937524930 /nfs/dbraw/zinc/52/49/30/937524930.db2.gz QWLHUNFHWVPCEL-QGZVFWFLSA-N 2 1 272.436 3.448 20 0 CGADMP CCCc1ccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC001460657899 937538252 /nfs/dbraw/zinc/53/82/52/937538252.db2.gz ZDMIKZLXYQMQEZ-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC001460657899 937538254 /nfs/dbraw/zinc/53/82/54/937538254.db2.gz ZDMIKZLXYQMQEZ-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC001460657899 937538256 /nfs/dbraw/zinc/53/82/56/937538256.db2.gz ZDMIKZLXYQMQEZ-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC001460657899 937538258 /nfs/dbraw/zinc/53/82/58/937538258.db2.gz ZDMIKZLXYQMQEZ-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC001460657899 937538260 /nfs/dbraw/zinc/53/82/60/937538260.db2.gz ZDMIKZLXYQMQEZ-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001460711030 937540749 /nfs/dbraw/zinc/54/07/49/937540749.db2.gz QPKPONGIVRVRSL-GJZGRUSLSA-N 2 1 299.393 3.492 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@]1(C)CCOc2ccccc21 ZINC001460823738 937547494 /nfs/dbraw/zinc/54/74/94/937547494.db2.gz LGSHUSGMFKYYEY-QGZVFWFLSA-N 2 1 276.424 3.006 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CC1(c2ccccc2)CC1 ZINC000189318406 932024583 /nfs/dbraw/zinc/02/45/83/932024583.db2.gz KFUVWLJKKAKNDI-UHFFFAOYSA-N 2 1 272.436 3.136 20 0 CGADMP COc1cc2cc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c2cc1F ZINC000420235726 932034359 /nfs/dbraw/zinc/03/43/59/932034359.db2.gz IWOCSLBHBRDXEF-NWDGAFQWSA-N 2 1 289.354 3.064 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001461049550 937561602 /nfs/dbraw/zinc/56/16/02/937561602.db2.gz FWFXQYWPQCWGFI-NMBNSIPYSA-N 2 1 274.383 3.055 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC001461049550 937561603 /nfs/dbraw/zinc/56/16/03/937561603.db2.gz FWFXQYWPQCWGFI-NMBNSIPYSA-N 2 1 274.383 3.055 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461142898 937565644 /nfs/dbraw/zinc/56/56/44/937565644.db2.gz HQHBIBYMJGEACX-YJBOKZPZSA-N 2 1 274.452 3.254 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461142898 937565647 /nfs/dbraw/zinc/56/56/47/937565647.db2.gz HQHBIBYMJGEACX-YJBOKZPZSA-N 2 1 274.452 3.254 20 0 CGADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001461847799 937601977 /nfs/dbraw/zinc/60/19/77/937601977.db2.gz CYFBANIOKGOSJV-LPHOPBHVSA-N 2 1 286.463 3.281 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]CCc1ccc(F)cc1F ZINC001462408497 937638712 /nfs/dbraw/zinc/63/87/12/937638712.db2.gz GVNLSIHXYDXJGD-UHFFFAOYSA-N 2 1 284.394 3.075 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)o1 ZINC001462471304 937643582 /nfs/dbraw/zinc/64/35/82/937643582.db2.gz LRQLQLWQOGPTPW-ZBFHGGJFSA-N 2 1 294.439 3.231 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)o1 ZINC001462471304 937643584 /nfs/dbraw/zinc/64/35/84/937643584.db2.gz LRQLQLWQOGPTPW-ZBFHGGJFSA-N 2 1 294.439 3.231 20 0 CGADMP C[C@@H]1C[N@@H+](CC2(C)CCCC2)CCN1c1cc[nH+]cc1 ZINC001462551627 937649929 /nfs/dbraw/zinc/64/99/29/937649929.db2.gz WTDBYIYNQYROCG-OAHLLOKOSA-N 2 1 273.424 3.172 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001308091165 933046281 /nfs/dbraw/zinc/04/62/81/933046281.db2.gz YBMHQUXTVYCPLY-BRWVUGGUSA-N 2 1 287.451 3.418 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001308598330 933139993 /nfs/dbraw/zinc/13/99/93/933139993.db2.gz KKBBGIZMQLMONQ-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(F)c1 ZINC001308748651 933169459 /nfs/dbraw/zinc/16/94/59/933169459.db2.gz VLYYNKHABBEERQ-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(F)c1 ZINC001308748651 933169462 /nfs/dbraw/zinc/16/94/62/933169462.db2.gz VLYYNKHABBEERQ-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(F)c1 ZINC001308748651 933169466 /nfs/dbraw/zinc/16/94/66/933169466.db2.gz VLYYNKHABBEERQ-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(F)c1 ZINC001308748651 933169469 /nfs/dbraw/zinc/16/94/69/933169469.db2.gz VLYYNKHABBEERQ-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCc1ccc(F)cc1Cl ZINC001308815382 933182715 /nfs/dbraw/zinc/18/27/15/933182715.db2.gz MUGLCISZOZENMY-UHFFFAOYSA-N 2 1 298.833 3.486 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]CCc1ccc(F)cc1Cl ZINC001308815382 933182719 /nfs/dbraw/zinc/18/27/19/933182719.db2.gz MUGLCISZOZENMY-UHFFFAOYSA-N 2 1 298.833 3.486 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC001308815926 933183383 /nfs/dbraw/zinc/18/33/83/933183383.db2.gz RYBFVFJHODMNTI-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC001308815926 933183385 /nfs/dbraw/zinc/18/33/85/933183385.db2.gz RYBFVFJHODMNTI-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@H](CC(C)C)c2ccccn2)C1 ZINC001319199295 933841162 /nfs/dbraw/zinc/84/11/62/933841162.db2.gz VIOKNQORHXIHNJ-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC001319199295 933841174 /nfs/dbraw/zinc/84/11/74/933841174.db2.gz VIOKNQORHXIHNJ-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001319281499 933852040 /nfs/dbraw/zinc/85/20/40/933852040.db2.gz ANAVBUIGKSBNMH-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3C)C1 ZINC001319753573 933927995 /nfs/dbraw/zinc/92/79/95/933927995.db2.gz DYTUSORCFPNMPE-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)[C@@H]2CCC[C@H]21 ZINC001322071550 934238542 /nfs/dbraw/zinc/23/85/42/934238542.db2.gz WRDRAJSIELUBDZ-GBESFXJTSA-N 2 1 284.447 3.138 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366017 934492813 /nfs/dbraw/zinc/49/28/13/934492813.db2.gz UUIMIMOTEHAWJB-GOEBONIOSA-N 2 1 275.440 3.128 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001325267644 934899589 /nfs/dbraw/zinc/89/95/89/934899589.db2.gz NDJGHXLRMAHRCI-VIFPVBQESA-N 2 1 294.748 3.446 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC001325742110 934925803 /nfs/dbraw/zinc/92/58/03/934925803.db2.gz BKIUXQUUXHRVSL-SMDDNHRTSA-N 2 1 282.815 3.141 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001326035271 934945647 /nfs/dbraw/zinc/94/56/47/934945647.db2.gz HGAKIXNCOOGSFB-HNNXBMFYSA-N 2 1 268.404 3.364 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC001330355124 935287124 /nfs/dbraw/zinc/28/71/24/935287124.db2.gz YVLXUSPBHHFPOR-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC001330355124 935287130 /nfs/dbraw/zinc/28/71/30/935287130.db2.gz YVLXUSPBHHFPOR-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC001331420795 935377865 /nfs/dbraw/zinc/37/78/65/935377865.db2.gz ZVKBILUOKGTSIZ-SECBINFHSA-N 2 1 292.757 3.029 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC001332362399 935462195 /nfs/dbraw/zinc/46/21/95/935462195.db2.gz WSZYDWSBKURKRM-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP CCCn1ccnc1CCC[N@@H+](C)C[C@@H]1C[C@H]1CC ZINC001333029550 935506132 /nfs/dbraw/zinc/50/61/32/935506132.db2.gz OSQQSRPMPFLXET-CABCVRRESA-N 2 1 263.429 3.204 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1C[C@H]1CC ZINC001333029550 935506137 /nfs/dbraw/zinc/50/61/37/935506137.db2.gz OSQQSRPMPFLXET-CABCVRRESA-N 2 1 263.429 3.204 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1C[C@H]1CC ZINC001333029550 935506138 /nfs/dbraw/zinc/50/61/38/935506138.db2.gz OSQQSRPMPFLXET-CABCVRRESA-N 2 1 263.429 3.204 20 0 CGADMP Cc1cc(F)ncc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001333699143 936056602 /nfs/dbraw/zinc/05/66/02/936056602.db2.gz RTLBGNCRHWUOEJ-UHFFFAOYSA-N 2 1 291.414 3.026 20 0 CGADMP FC12C[C@@H]3C[C@H](C1)CC([NH2+][C@@H]1CC[N@H+]4CCC[C@H]4C1)(C3)C2 ZINC001334326276 936097078 /nfs/dbraw/zinc/09/70/78/936097078.db2.gz AUGXLIIKBQEEMM-WJPQVJKASA-N 2 1 292.442 3.264 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C1 ZINC001335135631 936131063 /nfs/dbraw/zinc/13/10/63/936131063.db2.gz YYZRNPSEJOTXSB-RBSFLKMASA-N 2 1 252.446 3.085 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCCC(F)(F)F)CC1 ZINC001335499451 936149128 /nfs/dbraw/zinc/14/91/28/936149128.db2.gz KFSYSDMDNSDRHR-UHFFFAOYSA-N 2 1 266.351 3.135 20 0 CGADMP C[C@H]1C[C@H](CCNc2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC001336391624 936191483 /nfs/dbraw/zinc/19/14/83/936191483.db2.gz LBLPNNBGUHPYOO-WMZOPIPTSA-N 2 1 295.430 3.216 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)c1ccccc1 ZINC001336889400 936225116 /nfs/dbraw/zinc/22/51/16/936225116.db2.gz SZVGPRSBUSFTEW-LULLPPNCSA-N 2 1 286.463 3.452 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001338073950 936304860 /nfs/dbraw/zinc/30/48/60/936304860.db2.gz FEWAJBHUUCDJKR-JQHSSLGASA-N 2 1 274.452 3.388 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)CCN1c1cc[nH+]cc1 ZINC001473760028 937821393 /nfs/dbraw/zinc/82/13/93/937821393.db2.gz VGPVMXPERCPBOV-OAHLLOKOSA-N 2 1 285.435 3.172 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC001473915493 937829909 /nfs/dbraw/zinc/82/99/09/937829909.db2.gz APFBPVGGKUKOPW-UONOGXRCSA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H](SC)C1)[NH+]1CCCC1 ZINC001473926767 937830271 /nfs/dbraw/zinc/83/02/71/937830271.db2.gz HXNFAWDZZVBEJG-RRFJBIMHSA-N 2 1 270.486 3.125 20 0 CGADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)o1 ZINC001474685795 937875395 /nfs/dbraw/zinc/87/53/95/937875395.db2.gz BVQYZPKMWLDFOK-ZDUSSCGKSA-N 2 1 285.391 3.002 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)CC1 ZINC001474729870 937877628 /nfs/dbraw/zinc/87/76/28/937877628.db2.gz MONKPHUNSNORBH-XWTMOSNGSA-N 2 1 276.468 3.086 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC001549545575 938157885 /nfs/dbraw/zinc/15/78/85/938157885.db2.gz GMOYXQREXOEIBO-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC001549546941 938158084 /nfs/dbraw/zinc/15/80/84/938158084.db2.gz OIMODYGOQWPZMI-DZUCGIPZSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC001549546941 938158085 /nfs/dbraw/zinc/15/80/85/938158085.db2.gz OIMODYGOQWPZMI-DZUCGIPZSA-N 2 1 272.436 3.251 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CC[C@H]4[C@H](CC[N@H+]4C)C3)c12 ZINC001550170830 938163775 /nfs/dbraw/zinc/16/37/75/938163775.db2.gz ZLCBRCPTFSJBBT-CVEARBPZSA-N 2 1 281.403 3.074 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)c12 ZINC001550170830 938163776 /nfs/dbraw/zinc/16/37/76/938163776.db2.gz ZLCBRCPTFSJBBT-CVEARBPZSA-N 2 1 281.403 3.074 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@H]1CC[C@H]([NH3+])C1 ZINC001550354221 938166257 /nfs/dbraw/zinc/16/62/57/938166257.db2.gz YSGOHHOCIKMXMW-BHYGNILZSA-N 2 1 258.409 3.125 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001550354218 938166274 /nfs/dbraw/zinc/16/62/74/938166274.db2.gz YQVNMPKQUNVOLI-OFQRWUPVSA-N 2 1 270.436 3.354 20 0 CGADMP CC(C)([NH3+])C[NH+]1CCC(c2cccc3[nH]ccc32)CC1 ZINC001550351860 938166312 /nfs/dbraw/zinc/16/63/12/938166312.db2.gz VMOKBNFXYQEZDR-UHFFFAOYSA-N 2 1 271.408 3.085 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC[NH2+]2)cc1 ZINC001550475003 938166819 /nfs/dbraw/zinc/16/68/19/938166819.db2.gz KYXQHOIEMORENU-DEORAPPZSA-N 2 1 270.420 3.115 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540797 938167519 /nfs/dbraw/zinc/16/75/19/938167519.db2.gz LDARGUOFYMNUMT-YESZJQIVSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540797 938167520 /nfs/dbraw/zinc/16/75/20/938167520.db2.gz LDARGUOFYMNUMT-YESZJQIVSA-N 2 1 258.409 3.021 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540797 938167521 /nfs/dbraw/zinc/16/75/21/938167521.db2.gz LDARGUOFYMNUMT-YESZJQIVSA-N 2 1 258.409 3.021 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@@H]3C3CC3)CC[NH2+]2)cc1 ZINC001552080843 938190007 /nfs/dbraw/zinc/19/00/07/938190007.db2.gz OSCYUNLFJDQNLG-MLHJIOFPSA-N 2 1 270.420 3.115 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(C)nc(C)c2)CC1 ZINC001560294134 938251864 /nfs/dbraw/zinc/25/18/64/938251864.db2.gz OHSBKSBSNXRNBZ-UHFFFAOYSA-N 2 1 275.440 3.053 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001560312095 938252327 /nfs/dbraw/zinc/25/23/27/938252327.db2.gz TYVPRTFCNIVSHV-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1F ZINC001560436896 938258630 /nfs/dbraw/zinc/25/86/30/938258630.db2.gz WBBVJTDTHPKLCP-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cc(O)cc(Cl)c1)[NH+]1CCCCC1 ZINC001560436857 938258649 /nfs/dbraw/zinc/25/86/49/938258649.db2.gz VAGBZCAZQJGKJS-ZDUSSCGKSA-N 2 1 296.842 3.400 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCCC(C)(C)CC2)CC1(C)C ZINC001560557000 938262834 /nfs/dbraw/zinc/26/28/34/938262834.db2.gz AJQLAMYEALMAGX-MAUKXSAKSA-N 2 1 296.499 3.170 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2(C)C(C)(C)C2(C)C)CC1(C)C ZINC001560609918 938265364 /nfs/dbraw/zinc/26/53/64/938265364.db2.gz DLUKBLXVARQUFZ-GFCCVEGCSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC(C)(C)C1 ZINC001560621831 938266171 /nfs/dbraw/zinc/26/61/71/938266171.db2.gz BLGDNMCXFSJJQD-RFBLXINOSA-N 2 1 264.457 3.131 20 0 CGADMP Cc1coc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001560948328 938285626 /nfs/dbraw/zinc/28/56/26/938285626.db2.gz UNUMCMTWGMXWRP-GDBMZVCRSA-N 2 1 264.413 3.140 20 0 CGADMP Cc1coc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001560948328 938285628 /nfs/dbraw/zinc/28/56/28/938285628.db2.gz UNUMCMTWGMXWRP-GDBMZVCRSA-N 2 1 264.413 3.140 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001561053571 938292260 /nfs/dbraw/zinc/29/22/60/938292260.db2.gz XFCUFCURQBZHOO-XFIYOXNOSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC001575119736 960466892 /nfs/dbraw/zinc/46/68/92/960466892.db2.gz OHDQUCKRWOITSQ-LBPRGKRZSA-N 2 1 293.480 3.047 20 0 CGADMP CCCCCC[C@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001577432926 960481244 /nfs/dbraw/zinc/48/12/44/960481244.db2.gz UOOWGWUDECDENN-IRXDYDNUSA-N 2 1 296.499 3.301 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC001575421619 962381739 /nfs/dbraw/zinc/38/17/39/962381739.db2.gz AEIMZZBXIHJBST-HOTGVXAUSA-N 2 1 260.425 3.300 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC001575423289 962382766 /nfs/dbraw/zinc/38/27/66/962382766.db2.gz RIAHCXXBDRPAMX-CQSZACIVSA-N 2 1 264.388 3.021 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@H](C[NH3+])C(C)C ZINC001575593101 962400905 /nfs/dbraw/zinc/40/09/05/962400905.db2.gz FUXWQNSANJTGCS-KRWDZBQOSA-N 2 1 262.441 3.376 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001575912802 962423289 /nfs/dbraw/zinc/42/32/89/962423289.db2.gz QSBYQSQCCXDDFO-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)c1cccc(Cl)c1 ZINC001576004922 962429728 /nfs/dbraw/zinc/42/97/28/962429728.db2.gz IROOWJVMGAFNIX-IPYPFGDCSA-N 2 1 280.843 3.360 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1nc2ccccc2s1 ZINC001576243486 962445124 /nfs/dbraw/zinc/44/51/24/962445124.db2.gz CKMHEXZYSBXEOY-OLZOCXBDSA-N 2 1 289.448 3.337 20 0 CGADMP CC1(C)C[N@H+](Cc2cccc(C[NH3+])c2)[C@H]1c1ccncc1 ZINC001576457402 962460030 /nfs/dbraw/zinc/46/00/30/962460030.db2.gz CZYPAFXBNBETRY-KRWDZBQOSA-N 2 1 281.403 3.123 20 0 CGADMP CC1(C)C[N@@H+](Cc2cccc(C[NH3+])c2)[C@H]1c1ccncc1 ZINC001576457402 962460039 /nfs/dbraw/zinc/46/00/39/962460039.db2.gz CZYPAFXBNBETRY-KRWDZBQOSA-N 2 1 281.403 3.123 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC001576380656 962460304 /nfs/dbraw/zinc/46/03/04/962460304.db2.gz WIVISWZRUXDFST-HZPDHXFCSA-N 2 1 288.366 3.301 20 0 CGADMP CC(C)[N@@H+](CCc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC001576597659 962478434 /nfs/dbraw/zinc/47/84/34/962478434.db2.gz GZPZYGWVSNQWNO-WMZOPIPTSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC001576708416 962485517 /nfs/dbraw/zinc/48/55/17/962485517.db2.gz DBCXOTZNQRXVHA-CZUORRHYSA-N 2 1 280.843 3.332 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001576915607 962497630 /nfs/dbraw/zinc/49/76/30/962497630.db2.gz XOHVVBFGMGHKIV-OBMMGQTPSA-N 2 1 250.430 3.054 20 0 CGADMP COC1(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC1 ZINC001578926342 962601118 /nfs/dbraw/zinc/60/11/18/962601118.db2.gz FMZNPIDUNVJEHG-DLBZAZTESA-N 2 1 288.435 3.029 20 0 CGADMP COc1cccc(CCC[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC001579273893 962619955 /nfs/dbraw/zinc/61/99/55/962619955.db2.gz ILBCASUWOIAIBI-MAUKXSAKSA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC001579454610 962629515 /nfs/dbraw/zinc/62/95/15/962629515.db2.gz OOETUVWDNVDGSX-QLFBSQMISA-N 2 1 262.397 3.052 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC001579535912 962629979 /nfs/dbraw/zinc/62/99/79/962629979.db2.gz WZGAPPNDWMSFQV-ZDUSSCGKSA-N 2 1 254.805 3.111 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001579666345 962648251 /nfs/dbraw/zinc/64/82/51/962648251.db2.gz QYOLZXXXTYZTHF-VYDXJSESSA-N 2 1 260.425 3.015 20 0 CGADMP Cc1ccc(CC[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)cc1C ZINC001579688176 962655145 /nfs/dbraw/zinc/65/51/45/962655145.db2.gz UKSIMFUORCJSKL-RTBURBONSA-N 2 1 286.463 3.297 20 0 CGADMP Cc1cccc(CCC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC001579759581 962669837 /nfs/dbraw/zinc/66/98/37/962669837.db2.gz NWQTZBIFXILMOL-BQFCYCMXSA-N 2 1 274.452 3.233 20 0 CGADMP Fc1cccc([C@H]2C[C@@H]2[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001580033352 962690358 /nfs/dbraw/zinc/69/03/58/962690358.db2.gz JKISZAXNDIDOSN-SJORKVTESA-N 2 1 288.410 3.147 20 0 CGADMP [NH3+]C1CC[NH+](Cc2cccc(COc3ccccc3)c2)CC1 ZINC001580189577 962696158 /nfs/dbraw/zinc/69/61/58/962696158.db2.gz QJSKOAUBEWFOJT-UHFFFAOYSA-N 2 1 296.414 3.189 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001580169558 962700759 /nfs/dbraw/zinc/70/07/59/962700759.db2.gz HNPFMDRAASMAIH-HPGNRBDVSA-N 2 1 276.811 3.139 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc2cc[nH]c21)C1CCCCC1 ZINC001580228730 962710961 /nfs/dbraw/zinc/71/09/61/962710961.db2.gz DNQGWAPSMVAVHY-INIZCTEOSA-N 2 1 271.408 3.165 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CCC3C[NH2+]C3)[C@@H]3CCCC[C@@H]23)cc1 ZINC001580893238 962745046 /nfs/dbraw/zinc/74/50/46/962745046.db2.gz YLUGQUYPRPKALJ-GBESFXJTSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cnn(C2CCCC2)c1 ZINC000337388758 214047009 /nfs/dbraw/zinc/04/70/09/214047009.db2.gz JPWVKNVXVAHYKV-OAHLLOKOSA-N 2 1 290.455 3.135 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000337444821 214086343 /nfs/dbraw/zinc/08/63/43/214086343.db2.gz ZNKULZPLYZZFAL-MRXNPFEDSA-N 2 1 275.371 3.318 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)[C@H](C)C1 ZINC000337531980 214141216 /nfs/dbraw/zinc/14/12/16/214141216.db2.gz VPAVPIURBSWINA-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C1CC1 ZINC000651492014 398253318 /nfs/dbraw/zinc/25/33/18/398253318.db2.gz RXOMQAQOWPMOJF-QGZVFWFLSA-N 2 1 294.389 3.416 20 0 CGADMP C[N@@H+](CCCC[NH2+]CC(C)(C)c1ccccc1)C1CC1 ZINC000651599747 398257388 /nfs/dbraw/zinc/25/73/88/398257388.db2.gz FBFBMIKXKACRIF-UHFFFAOYSA-N 2 1 274.452 3.428 20 0 CGADMP c1cc2c(c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c1)CCC2 ZINC000651643635 398261667 /nfs/dbraw/zinc/26/16/67/398261667.db2.gz JFAJCMVBLRDUJC-INIZCTEOSA-N 2 1 284.447 3.093 20 0 CGADMP C[C@@H](C[NH2+]Cc1cc2cnccc2o1)C[NH+]1CCCCC1 ZINC000651683498 398268462 /nfs/dbraw/zinc/26/84/62/398268462.db2.gz ARZCZJBXMYSJPI-AWEZNQCLSA-N 2 1 287.407 3.039 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCCCOc1ccccc1)C2 ZINC000622004290 349620967 /nfs/dbraw/zinc/62/09/67/349620967.db2.gz NAQAKPLVVRNOHR-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP COc1ccc(F)c(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000622043427 349623316 /nfs/dbraw/zinc/62/33/16/349623316.db2.gz APAXIQRCUQMJIZ-ZFWWWQNUSA-N 2 1 294.414 3.235 20 0 CGADMP FC1(F)C[C@@H]1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000622043481 349623333 /nfs/dbraw/zinc/62/33/33/349623333.db2.gz BRIYHPJSWPSJMT-KKUMJFAQSA-N 2 1 280.362 3.115 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000337951301 214328324 /nfs/dbraw/zinc/32/83/24/214328324.db2.gz RXSUSWOZEDUZDX-STQMWFEESA-N 2 1 289.345 3.292 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337986520 214344541 /nfs/dbraw/zinc/34/45/41/214344541.db2.gz DSJOTZSRSJDBRH-HOTGVXAUSA-N 2 1 281.419 3.480 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337985833 214343844 /nfs/dbraw/zinc/34/38/44/214343844.db2.gz DSFMRNXFVBMNBW-CABCVRRESA-N 2 1 258.425 3.226 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337985833 214343847 /nfs/dbraw/zinc/34/38/47/214343847.db2.gz DSFMRNXFVBMNBW-CABCVRRESA-N 2 1 258.425 3.226 20 0 CGADMP CCOC[C@H](C)[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000651910099 398304968 /nfs/dbraw/zinc/30/49/68/398304968.db2.gz GVLMPEYJGFCDOB-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CCC(CC)C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435428053 282162375 /nfs/dbraw/zinc/16/23/75/282162375.db2.gz PADYGJMCIOFQSB-HNNXBMFYSA-N 2 1 295.496 3.299 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423477936 529453325 /nfs/dbraw/zinc/45/33/25/529453325.db2.gz UHVNDMCZXAXHJL-PELKAZGASA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000423482294 529453754 /nfs/dbraw/zinc/45/37/54/529453754.db2.gz XIWRGBVVCYZUPW-BBRMVZONSA-N 2 1 264.388 3.384 20 0 CGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cncc(F)c1 ZINC000125971643 187207492 /nfs/dbraw/zinc/20/74/92/187207492.db2.gz LXPOMRNXMDNLJN-IUODEOHRSA-N 2 1 281.419 3.238 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000423460539 529568403 /nfs/dbraw/zinc/56/84/03/529568403.db2.gz IZYFXGHQLVLCEV-YPMHNXCESA-N 2 1 272.339 3.066 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423457065 529568908 /nfs/dbraw/zinc/56/89/08/529568908.db2.gz FFVFGXZXMJVYDU-ZYHUDNBSSA-N 2 1 252.427 3.015 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1F ZINC000163452705 529590054 /nfs/dbraw/zinc/59/00/54/529590054.db2.gz ADIDXQBOPWJCIE-HNNXBMFYSA-N 2 1 266.404 3.454 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000268846689 282206293 /nfs/dbraw/zinc/20/62/93/282206293.db2.gz JGDAPVYACFMJCW-QGZVFWFLSA-N 2 1 269.392 3.249 20 0 CGADMP C[N@H+]1CC[C@@H](NCc2ccc(Cl)cc2)CC1(C)C ZINC000623337318 349781878 /nfs/dbraw/zinc/78/18/78/349781878.db2.gz DQVUFABFRPIUIX-CQSZACIVSA-N 2 1 266.816 3.302 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC1(C)C ZINC000623337318 349781879 /nfs/dbraw/zinc/78/18/79/349781879.db2.gz DQVUFABFRPIUIX-CQSZACIVSA-N 2 1 266.816 3.302 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)[C@H]1CC1(C)C ZINC000414076364 529617664 /nfs/dbraw/zinc/61/76/64/529617664.db2.gz OQNYFNDESNIIHY-CFVMTHIKSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623403476 349799405 /nfs/dbraw/zinc/79/94/05/349799405.db2.gz XGXMJPCPYGSOCT-BBRMVZONSA-N 2 1 278.415 3.392 20 0 CGADMP C[C@H]1CC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)C1 ZINC000623428026 349805862 /nfs/dbraw/zinc/80/58/62/349805862.db2.gz WPSALXWFDNPCTJ-MGPQQGTHSA-N 2 1 252.446 3.274 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000423501435 529707216 /nfs/dbraw/zinc/70/72/16/529707216.db2.gz DMLJQCCWOBCXBW-RISCZKNCSA-N 2 1 266.454 3.479 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C12CCCC2 ZINC000623436031 349808951 /nfs/dbraw/zinc/80/89/51/349808951.db2.gz ANAYAIYNQRCKIS-BZUAXINKSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC2(C)C)CC1(C)C ZINC000623445858 349811657 /nfs/dbraw/zinc/81/16/57/349811657.db2.gz HNNJICZKXQQAOR-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623448572 349812124 /nfs/dbraw/zinc/81/21/24/349812124.db2.gz ZAVHFGSHEKAFCM-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478210 349816833 /nfs/dbraw/zinc/81/68/33/349816833.db2.gz DDAIWOKNGHZLOV-NWDGAFQWSA-N 2 1 282.378 3.488 20 0 CGADMP CC(C)OC1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623470452 349815998 /nfs/dbraw/zinc/81/59/98/349815998.db2.gz LKDDVOYMZREOSX-PCKAHOCUSA-N 2 1 282.472 3.185 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC000359206458 529728758 /nfs/dbraw/zinc/72/87/58/529728758.db2.gz HQPPKIHDRLWFTM-CYBMUJFWSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CCC2 ZINC000359627937 529747456 /nfs/dbraw/zinc/74/74/56/529747456.db2.gz DDIRMAUCEPRKQY-ZDUSSCGKSA-N 2 1 295.496 3.403 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CCC2 ZINC000359627937 529747457 /nfs/dbraw/zinc/74/74/57/529747457.db2.gz DDIRMAUCEPRKQY-ZDUSSCGKSA-N 2 1 295.496 3.403 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623486350 349818447 /nfs/dbraw/zinc/81/84/47/349818447.db2.gz XMDNDBDVBSKONM-OWCLPIDISA-N 2 1 282.472 3.043 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000623496074 349820163 /nfs/dbraw/zinc/82/01/63/349820163.db2.gz GEIORTFDQZQDDT-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCC2)CC1(C)C ZINC000623539245 349829299 /nfs/dbraw/zinc/82/92/99/349829299.db2.gz GXUVFKLKLXTIEF-AWEZNQCLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623549585 349831138 /nfs/dbraw/zinc/83/11/38/349831138.db2.gz HCFSMVAKGNQJHI-VXGBXAGGSA-N 2 1 280.378 3.427 20 0 CGADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000623547473 349831451 /nfs/dbraw/zinc/83/14/51/349831451.db2.gz RBGYTAZBFIYHRT-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623570441 349838505 /nfs/dbraw/zinc/83/85/05/349838505.db2.gz SHGJZBHFEPPKMA-DHXZDTOLSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623570441 349838507 /nfs/dbraw/zinc/83/85/07/349838507.db2.gz SHGJZBHFEPPKMA-DHXZDTOLSA-N 2 1 276.468 3.418 20 0 CGADMP COCCC1(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCCCC1 ZINC000623657070 349858687 /nfs/dbraw/zinc/85/86/87/349858687.db2.gz JCNNNFCHJJUGKB-QGZVFWFLSA-N 2 1 296.499 3.295 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657558 349859550 /nfs/dbraw/zinc/85/95/50/349859550.db2.gz UKRUSLULPNSACV-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@H]1CC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@H](C)C1 ZINC000623657694 349859640 /nfs/dbraw/zinc/85/96/40/349859640.db2.gz WUOZKEGIFSTRNT-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CSc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623655238 349857111 /nfs/dbraw/zinc/85/71/11/349857111.db2.gz SDYMBQGGIWDFLN-HNNXBMFYSA-N 2 1 278.465 3.230 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000623656384 349857692 /nfs/dbraw/zinc/85/76/92/349857692.db2.gz SZOSFQHAWQBIPC-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000623656909 349858224 /nfs/dbraw/zinc/85/82/24/349858224.db2.gz FKIVNSACNVOFAD-INIZCTEOSA-N 2 1 274.452 3.286 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128120785 187352674 /nfs/dbraw/zinc/35/26/74/187352674.db2.gz CQWVOHZCQYNDEC-KZNAEPCWSA-N 2 1 284.447 3.323 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000128118798 187352809 /nfs/dbraw/zinc/35/28/09/187352809.db2.gz AQEBXVDGBCCGDY-UHFFFAOYSA-N 2 1 272.436 3.267 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000449356608 282308313 /nfs/dbraw/zinc/30/83/13/282308313.db2.gz CAWIVNLYIOYXSQ-CQSZACIVSA-N 2 1 299.443 3.127 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000351592707 219137677 /nfs/dbraw/zinc/13/76/77/219137677.db2.gz APJOQCPKRPIQTP-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000351592707 219137678 /nfs/dbraw/zinc/13/76/78/219137678.db2.gz APJOQCPKRPIQTP-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000351592707 219137681 /nfs/dbraw/zinc/13/76/81/219137681.db2.gz APJOQCPKRPIQTP-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423241754 529979248 /nfs/dbraw/zinc/97/92/48/529979248.db2.gz IGJLZTJDTQMBRV-ZFWWWQNUSA-N 2 1 266.816 3.175 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3occc3c2)CC1 ZINC000368565329 530051067 /nfs/dbraw/zinc/05/10/67/530051067.db2.gz CJJLLTLCSOXBIM-UHFFFAOYSA-N 2 1 284.403 3.493 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000414182079 530060834 /nfs/dbraw/zinc/06/08/34/530060834.db2.gz MRCKGVQHQSOGJV-PMPSAXMXSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000040620676 344964159 /nfs/dbraw/zinc/96/41/59/344964159.db2.gz AQRCMQBIKBUQPW-ZDUSSCGKSA-N 2 1 266.816 3.160 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000040620676 344964161 /nfs/dbraw/zinc/96/41/61/344964161.db2.gz AQRCMQBIKBUQPW-ZDUSSCGKSA-N 2 1 266.816 3.160 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040621662 344964514 /nfs/dbraw/zinc/96/45/14/344964514.db2.gz LEFLQAALBPKWLU-RDJZCZTQSA-N 2 1 290.451 3.033 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000040623283 344964901 /nfs/dbraw/zinc/96/49/01/344964901.db2.gz LBRUJCWHTSJRMV-QGZVFWFLSA-N 2 1 260.425 3.123 20 0 CGADMP Cc1ccccc1C1CC([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000044533522 345012646 /nfs/dbraw/zinc/01/26/46/345012646.db2.gz ABGGTXLSQYQAPX-KLAILNCOSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000044535134 345012745 /nfs/dbraw/zinc/01/27/45/345012745.db2.gz WBBQXKHWMPIVLN-MRXNPFEDSA-N 2 1 260.425 3.043 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000044533289 345013100 /nfs/dbraw/zinc/01/31/00/345013100.db2.gz PRJVCIMLXVTTLW-CRAIPNDOSA-N 2 1 272.436 3.378 20 0 CGADMP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000091457451 345814922 /nfs/dbraw/zinc/81/49/22/345814922.db2.gz ZSMSBDPAFZNOAX-LBPRGKRZSA-N 2 1 275.421 3.440 20 0 CGADMP CCC[N@H+]1CC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000091457451 345814925 /nfs/dbraw/zinc/81/49/25/345814925.db2.gz ZSMSBDPAFZNOAX-LBPRGKRZSA-N 2 1 275.421 3.440 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C(C)C)C2CC2)C1 ZINC000090586842 345790852 /nfs/dbraw/zinc/79/08/52/345790852.db2.gz TWZBWELYLSNZCZ-DOTOQJQBSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000092739326 345855426 /nfs/dbraw/zinc/85/54/26/345855426.db2.gz VNBFKLIDMFCASU-HOTGVXAUSA-N 2 1 275.440 3.387 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)[C@@H]1OC ZINC000092768553 345858072 /nfs/dbraw/zinc/85/80/72/345858072.db2.gz XFMKZIMIBYKDRW-UTSKFRMZSA-N 2 1 294.483 3.043 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(C)ccc1OC ZINC000093403207 345877447 /nfs/dbraw/zinc/87/74/47/345877447.db2.gz DTVNMOAHZQMXLR-HOCLYGCPSA-N 2 1 278.440 3.385 20 0 CGADMP COc1ccsc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563746 345882701 /nfs/dbraw/zinc/88/27/01/345882701.db2.gz BIUIDFUCOTZCRH-CQSZACIVSA-N 2 1 294.464 3.207 20 0 CGADMP COc1ccsc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563746 345882702 /nfs/dbraw/zinc/88/27/02/345882702.db2.gz BIUIDFUCOTZCRH-CQSZACIVSA-N 2 1 294.464 3.207 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000093639131 345883994 /nfs/dbraw/zinc/88/39/94/345883994.db2.gz GESLBBMHWHXBNE-LULLPPNCSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000093639131 345883996 /nfs/dbraw/zinc/88/39/96/345883996.db2.gz GESLBBMHWHXBNE-LULLPPNCSA-N 2 1 286.463 3.452 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000093639131 345884000 /nfs/dbraw/zinc/88/40/00/345884000.db2.gz GESLBBMHWHXBNE-LULLPPNCSA-N 2 1 286.463 3.452 20 0 CGADMP CSc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000112119963 345953077 /nfs/dbraw/zinc/95/30/77/345953077.db2.gz ZHDISOLLRAITHR-UHFFFAOYSA-N 2 1 299.443 3.126 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](CNCc2cc(Cl)ccc2F)C1 ZINC000125303912 346016658 /nfs/dbraw/zinc/01/66/58/346016658.db2.gz ODGSBHRFFFMNPO-LBPRGKRZSA-N 2 1 284.806 3.299 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000177844934 232375951 /nfs/dbraw/zinc/37/59/51/232375951.db2.gz BFIGJFUEMQKAPF-RDTXWAMCSA-N 2 1 299.418 3.400 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166771947 346187612 /nfs/dbraw/zinc/18/76/12/346187612.db2.gz SGBBJCCPAGPJBB-ZJIFWQFVSA-N 2 1 282.497 3.267 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000220545074 346295700 /nfs/dbraw/zinc/29/57/00/346295700.db2.gz DGAYDWFXHKRWEG-UXHZXRBQSA-N 2 1 258.409 3.020 20 0 CGADMP C[C@H](C[NH2+]C1CCCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237567740 346345927 /nfs/dbraw/zinc/34/59/27/346345927.db2.gz CPNDPCODEIVRPF-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](C[NH2+]C1CCCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000237567740 346345930 /nfs/dbraw/zinc/34/59/30/346345930.db2.gz CPNDPCODEIVRPF-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CCOC1CC(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000351722130 219186649 /nfs/dbraw/zinc/18/66/49/219186649.db2.gz VBKNOUMAEPDPLN-VUGNNNGISA-N 2 1 294.483 3.044 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000300078281 346436246 /nfs/dbraw/zinc/43/62/46/346436246.db2.gz JCOPIRIGBYFUHA-UAGQMJEPSA-N 2 1 264.457 3.299 20 0 CGADMP C/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658318 346555109 /nfs/dbraw/zinc/55/51/09/346555109.db2.gz WAAIRWRDMCHDDW-OEQZANGBSA-N 2 1 258.409 3.205 20 0 CGADMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658318 346555111 /nfs/dbraw/zinc/55/51/11/346555111.db2.gz WAAIRWRDMCHDDW-OEQZANGBSA-N 2 1 258.409 3.205 20 0 CGADMP CCOc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000584682273 346707607 /nfs/dbraw/zinc/70/76/07/346707607.db2.gz NEINKDQHNXTARX-OAHLLOKOSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000584682273 346707611 /nfs/dbraw/zinc/70/76/11/346707611.db2.gz NEINKDQHNXTARX-OAHLLOKOSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000584682273 346707614 /nfs/dbraw/zinc/70/76/14/346707614.db2.gz NEINKDQHNXTARX-OAHLLOKOSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000624119606 349975444 /nfs/dbraw/zinc/97/54/44/349975444.db2.gz FWMFLGRGRGZTIK-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000624119606 349975447 /nfs/dbraw/zinc/97/54/47/349975447.db2.gz FWMFLGRGRGZTIK-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H](CSCCF)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000595014934 347257142 /nfs/dbraw/zinc/25/71/42/347257142.db2.gz VSSDINAQKWBHFQ-GJZGRUSLSA-N 2 1 290.492 3.322 20 0 CGADMP CC(C)CSCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595503712 347312342 /nfs/dbraw/zinc/31/23/42/347312342.db2.gz ARAKBSWHRPHJHK-MRXNPFEDSA-N 2 1 284.513 3.183 20 0 CGADMP CC(C)CSCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595503712 347312345 /nfs/dbraw/zinc/31/23/45/347312345.db2.gz ARAKBSWHRPHJHK-MRXNPFEDSA-N 2 1 284.513 3.183 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000351851435 219225397 /nfs/dbraw/zinc/22/53/97/219225397.db2.gz AFXIRWMFFXQUBK-HOTGVXAUSA-N 2 1 270.436 3.178 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864683 219229272 /nfs/dbraw/zinc/22/92/72/219229272.db2.gz YXGWXPYASMEXED-GZBFAFLISA-N 2 1 285.391 3.072 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864683 219229274 /nfs/dbraw/zinc/22/92/74/219229274.db2.gz YXGWXPYASMEXED-GZBFAFLISA-N 2 1 285.391 3.072 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000125967397 535065908 /nfs/dbraw/zinc/06/59/08/535065908.db2.gz ICQPMPNVOPNNOK-HZPDHXFCSA-N 2 1 292.471 3.235 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000125967397 535065910 /nfs/dbraw/zinc/06/59/10/535065910.db2.gz ICQPMPNVOPNNOK-HZPDHXFCSA-N 2 1 292.471 3.235 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119916 349976521 /nfs/dbraw/zinc/97/65/21/349976521.db2.gz MEVJADJTFQFDHT-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624120775 349978927 /nfs/dbraw/zinc/97/89/27/349978927.db2.gz GVIZGTNBWLCKDY-GXTWGEPZSA-N 2 1 295.496 3.396 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120698 349979144 /nfs/dbraw/zinc/97/91/44/349979144.db2.gz FIYFIXCUQHBGJA-NVXWUHKLSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121890 349979932 /nfs/dbraw/zinc/97/99/32/349979932.db2.gz FTPWGMIEDPOFPU-GDBMZVCRSA-N 2 1 280.481 3.391 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121171 349978148 /nfs/dbraw/zinc/97/81/48/349978148.db2.gz PNEACBRZEAPQIL-RVKKMQEKSA-N 2 1 272.436 3.241 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000624121402 349978166 /nfs/dbraw/zinc/97/81/66/349978166.db2.gz VJQZGDNJDQWLBU-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCC1 ZINC000624123026 349981191 /nfs/dbraw/zinc/98/11/91/349981191.db2.gz DKABVFPDIXUALX-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000624122684 349981399 /nfs/dbraw/zinc/98/13/99/349981399.db2.gz YOVIDPRPURFPAS-PBHICJAKSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000624122684 349981401 /nfs/dbraw/zinc/98/14/01/349981401.db2.gz YOVIDPRPURFPAS-PBHICJAKSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000624122684 349981405 /nfs/dbraw/zinc/98/14/05/349981405.db2.gz YOVIDPRPURFPAS-PBHICJAKSA-N 2 1 293.430 3.239 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339405479 215149725 /nfs/dbraw/zinc/14/97/25/215149725.db2.gz ALNGIZSUHUODPS-RYUDHWBXSA-N 2 1 284.806 3.081 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123339 349983084 /nfs/dbraw/zinc/98/30/84/349983084.db2.gz KCZDLTLIKVRFSU-BQFCYCMXSA-N 2 1 290.451 3.084 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000624123677 349983155 /nfs/dbraw/zinc/98/31/55/349983155.db2.gz QGVYCONKEWBGDA-OAGGEKHMSA-N 2 1 270.436 3.226 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123341 349982580 /nfs/dbraw/zinc/98/25/80/349982580.db2.gz KCZDLTLIKVRFSU-NUJGCVRESA-N 2 1 290.451 3.084 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435136 215166678 /nfs/dbraw/zinc/16/66/78/215166678.db2.gz WNMGQORJTOZMFM-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435136 215166679 /nfs/dbraw/zinc/16/66/79/215166679.db2.gz WNMGQORJTOZMFM-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339435136 215166682 /nfs/dbraw/zinc/16/66/82/215166682.db2.gz WNMGQORJTOZMFM-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339435136 215166683 /nfs/dbraw/zinc/16/66/83/215166683.db2.gz WNMGQORJTOZMFM-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000608067852 348282165 /nfs/dbraw/zinc/28/21/65/348282165.db2.gz XUBJDYWNSTXCRR-WBVHZDCISA-N 2 1 260.425 3.123 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435699 215168519 /nfs/dbraw/zinc/16/85/19/215168519.db2.gz AQBGDIYBDGQJRW-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339435699 215168522 /nfs/dbraw/zinc/16/85/22/215168522.db2.gz AQBGDIYBDGQJRW-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339435699 215168524 /nfs/dbraw/zinc/16/85/24/215168524.db2.gz AQBGDIYBDGQJRW-GOSISDBHSA-N 2 1 272.436 3.167 20 0 CGADMP CSc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437490 215171366 /nfs/dbraw/zinc/17/13/66/215171366.db2.gz KMMPKJKLGPPYRE-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437490 215171372 /nfs/dbraw/zinc/17/13/72/215171372.db2.gz KMMPKJKLGPPYRE-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339437490 215171375 /nfs/dbraw/zinc/17/13/75/215171375.db2.gz KMMPKJKLGPPYRE-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339437490 215171377 /nfs/dbraw/zinc/17/13/77/215171377.db2.gz KMMPKJKLGPPYRE-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358201307 233079210 /nfs/dbraw/zinc/07/92/10/233079210.db2.gz KDDHWHQDBPUYTP-RDJZCZTQSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000358201307 233079214 /nfs/dbraw/zinc/07/92/14/233079214.db2.gz KDDHWHQDBPUYTP-RDJZCZTQSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000358250384 233089594 /nfs/dbraw/zinc/08/95/94/233089594.db2.gz PATYQPRJYZELIN-JLZZUVOBSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000358250384 233089596 /nfs/dbraw/zinc/08/95/96/233089596.db2.gz PATYQPRJYZELIN-JLZZUVOBSA-N 2 1 276.399 3.133 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000358381585 233121219 /nfs/dbraw/zinc/12/12/19/233121219.db2.gz MHKUPBLUQOOMCI-YDHLFZDLSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000358381585 233121222 /nfs/dbraw/zinc/12/12/22/233121222.db2.gz MHKUPBLUQOOMCI-YDHLFZDLSA-N 2 1 264.388 3.267 20 0 CGADMP CC[N@H+](CCc1cccs1)CC[C@H]1CCC[NH+]1C ZINC000271222165 191011763 /nfs/dbraw/zinc/01/17/63/191011763.db2.gz KLPNOKJXWWRPCZ-CQSZACIVSA-N 2 1 266.454 3.097 20 0 CGADMP CC[NH+](CCc1cccs1)CC[C@H]1CCC[N@@H+]1C ZINC000271222165 191011764 /nfs/dbraw/zinc/01/17/64/191011764.db2.gz KLPNOKJXWWRPCZ-CQSZACIVSA-N 2 1 266.454 3.097 20 0 CGADMP CC[NH+](CCc1cccs1)CC[C@H]1CCC[N@H+]1C ZINC000271222165 191011766 /nfs/dbraw/zinc/01/17/66/191011766.db2.gz KLPNOKJXWWRPCZ-CQSZACIVSA-N 2 1 266.454 3.097 20 0 CGADMP Fc1ccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000359218737 233281634 /nfs/dbraw/zinc/28/16/34/233281634.db2.gz UKTBAQGLEBTYQU-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP Cc1csc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359229642 233282992 /nfs/dbraw/zinc/28/29/92/233282992.db2.gz YMEHJJIHAVTKJQ-OAHLLOKOSA-N 2 1 293.480 3.021 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000625264999 350149333 /nfs/dbraw/zinc/14/93/33/350149333.db2.gz PBVCTEXHHFWJLG-XLAORIBOSA-N 2 1 296.499 3.386 20 0 CGADMP c1nc2c([nH]1)C[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000625434403 350170868 /nfs/dbraw/zinc/17/08/68/350170868.db2.gz SCURUNICRQVKJY-GDBMZVCRSA-N 2 1 281.403 3.352 20 0 CGADMP CC(C)[NH+](CCCC[N@H+](C)C(C)C)C[C@@H]1C[C@H]1C ZINC000625931178 350231906 /nfs/dbraw/zinc/23/19/06/350231906.db2.gz OQNHCTPHEKHAEF-CVEARBPZSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[NH+](C)CCCC[N@H+](C[C@@H]1C[C@H]1C)C(C)C ZINC000625931178 350231907 /nfs/dbraw/zinc/23/19/07/350231907.db2.gz OQNHCTPHEKHAEF-CVEARBPZSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[NH+](C)CCCC[N@@H+](C[C@@H]1C[C@H]1C)C(C)C ZINC000625931178 350231916 /nfs/dbraw/zinc/23/19/16/350231916.db2.gz OQNHCTPHEKHAEF-CVEARBPZSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC000628128386 350403614 /nfs/dbraw/zinc/40/36/14/350403614.db2.gz CLZSNTGWDXTIER-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC000628128386 350403615 /nfs/dbraw/zinc/40/36/15/350403615.db2.gz CLZSNTGWDXTIER-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc(C)o1 ZINC000628200630 350437357 /nfs/dbraw/zinc/43/73/57/350437357.db2.gz UVSZQPDMXQLYHT-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1Cl ZINC000628280708 350476316 /nfs/dbraw/zinc/47/63/16/350476316.db2.gz CVJBAICPCHJQSW-SWLSCSKDSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1Cl ZINC000628280708 350476319 /nfs/dbraw/zinc/47/63/19/350476319.db2.gz CVJBAICPCHJQSW-SWLSCSKDSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000628280708 350476323 /nfs/dbraw/zinc/47/63/23/350476323.db2.gz CVJBAICPCHJQSW-SWLSCSKDSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000628280708 350476326 /nfs/dbraw/zinc/47/63/26/350476326.db2.gz CVJBAICPCHJQSW-SWLSCSKDSA-N 2 1 296.842 3.121 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000629531761 350703832 /nfs/dbraw/zinc/70/38/32/350703832.db2.gz XHEHCACFIXNEKG-JTQLQIEISA-N 2 1 271.355 3.216 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000629559340 350714068 /nfs/dbraw/zinc/71/40/68/350714068.db2.gz AVPGUBCHVVYPMQ-UONOGXRCSA-N 2 1 292.389 3.416 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000629592430 350715367 /nfs/dbraw/zinc/71/53/67/350715367.db2.gz CNCKHUZPSQUAGQ-YESZJQIVSA-N 2 1 290.838 3.259 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397231 350688634 /nfs/dbraw/zinc/68/86/34/350688634.db2.gz UFWKVJFTQMPIJT-OIISXLGYSA-N 2 1 260.425 3.128 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000629408662 350689275 /nfs/dbraw/zinc/68/92/75/350689275.db2.gz YFUZHELEXFMREH-AEAUEXCSSA-N 2 1 278.827 3.316 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629411183 350690481 /nfs/dbraw/zinc/69/04/81/350690481.db2.gz IKVJORINYNNMTA-IPYPFGDCSA-N 2 1 278.465 3.070 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000629418325 350690831 /nfs/dbraw/zinc/69/08/31/350690831.db2.gz WHMZWZFRQHAXGJ-LAVFITLUSA-N 2 1 272.436 3.128 20 0 CGADMP CCc1nc(C(C)C)ccc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000629513009 350699690 /nfs/dbraw/zinc/69/96/90/350699690.db2.gz DPFKHILHHFUFLP-KRWDZBQOSA-N 2 1 277.456 3.230 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(C(F)F)nc1)C[NH+]1CCCCC1 ZINC000631048230 350935991 /nfs/dbraw/zinc/93/59/91/350935991.db2.gz ZFFLAZBTMAQRMN-ZDUSSCGKSA-N 2 1 297.393 3.231 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000631829060 351148788 /nfs/dbraw/zinc/14/87/88/351148788.db2.gz GCUASBXJPUYYDS-DZGCQCFKSA-N 2 1 286.410 3.133 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000631826468 351148888 /nfs/dbraw/zinc/14/88/88/351148888.db2.gz ODGIPKLCKJMDSO-RRFJBIMHSA-N 2 1 286.410 3.133 20 0 CGADMP FC(F)c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890721 351153038 /nfs/dbraw/zinc/15/30/38/351153038.db2.gz SKZLKXRARROBIX-LSDHHAIUSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890721 351153044 /nfs/dbraw/zinc/15/30/44/351153044.db2.gz SKZLKXRARROBIX-LSDHHAIUSA-N 2 1 280.362 3.198 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC[N@@H+]1C ZINC000631739295 351133441 /nfs/dbraw/zinc/13/34/41/351133441.db2.gz LCRZJCHLISGOSE-KCYZZUKISA-N 2 1 290.476 3.382 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC[N@H+]1C ZINC000631739295 351133445 /nfs/dbraw/zinc/13/34/45/351133445.db2.gz LCRZJCHLISGOSE-KCYZZUKISA-N 2 1 290.476 3.382 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336514449 213391805 /nfs/dbraw/zinc/39/18/05/213391805.db2.gz FTMYBXCHXARYPP-KBPBESRZSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336514449 213391807 /nfs/dbraw/zinc/39/18/07/213391807.db2.gz FTMYBXCHXARYPP-KBPBESRZSA-N 2 1 264.388 3.303 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c2cccnc12)C1CC[NH2+]CC1 ZINC000336510060 213386935 /nfs/dbraw/zinc/38/69/35/213386935.db2.gz YDXBVUHHIHHQBD-UHFFFAOYSA-N 2 1 289.810 3.072 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2c1 ZINC000634687938 351573884 /nfs/dbraw/zinc/57/38/84/351573884.db2.gz DEPLHYPUFIFZMP-BEFAXECRSA-N 2 1 295.430 3.199 20 0 CGADMP CC(C)(C)[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634995875 351621091 /nfs/dbraw/zinc/62/10/91/351621091.db2.gz RLVCILVOGADJPS-GNHJJJEISA-N 2 1 258.409 3.115 20 0 CGADMP CC[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@H]1CCCC[NH2+]1 ZINC000635011243 351629860 /nfs/dbraw/zinc/62/98/60/351629860.db2.gz DJINIDBSQSZGNU-DOTOQJQBSA-N 2 1 271.408 3.178 20 0 CGADMP COc1cccc(CCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123138758 187073463 /nfs/dbraw/zinc/07/34/63/187073463.db2.gz LQZYXZVBGRFUJR-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123138758 187073464 /nfs/dbraw/zinc/07/34/64/187073464.db2.gz LQZYXZVBGRFUJR-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123138758 187073465 /nfs/dbraw/zinc/07/34/65/187073465.db2.gz LQZYXZVBGRFUJR-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123138758 187073466 /nfs/dbraw/zinc/07/34/66/187073466.db2.gz LQZYXZVBGRFUJR-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP C[C@@H]1CC[C@H](C)[NH+]1C/C=C/C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123026112 187066758 /nfs/dbraw/zinc/06/67/58/187066758.db2.gz BZNJQNVABVJJDU-QIPZNREISA-N 2 1 250.430 3.288 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccccc2)CC[N@@H+]1C ZINC000123442866 187092336 /nfs/dbraw/zinc/09/23/36/187092336.db2.gz UNLLPWJYTUVAIR-RDJZCZTQSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccccc2)CC[N@H+]1C ZINC000123442866 187092337 /nfs/dbraw/zinc/09/23/37/187092337.db2.gz UNLLPWJYTUVAIR-RDJZCZTQSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2ccccc2)CC[NH+]1C ZINC000123442866 187092338 /nfs/dbraw/zinc/09/23/38/187092338.db2.gz UNLLPWJYTUVAIR-RDJZCZTQSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CC[NH+]1C ZINC000123442866 187092339 /nfs/dbraw/zinc/09/23/39/187092339.db2.gz UNLLPWJYTUVAIR-RDJZCZTQSA-N 2 1 260.425 3.034 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000271504033 191180565 /nfs/dbraw/zinc/18/05/65/191180565.db2.gz MOIMAHOCKVHBLJ-SJORKVTESA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000271564726 191214615 /nfs/dbraw/zinc/21/46/15/191214615.db2.gz OWIHJGXUKSEZRT-CQSZACIVSA-N 2 1 275.440 3.304 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OCC ZINC000415005901 282863901 /nfs/dbraw/zinc/86/39/01/282863901.db2.gz AZWIRMPIFQZFRD-KGLIPLIRSA-N 2 1 294.439 3.090 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152365619 188014045 /nfs/dbraw/zinc/01/40/45/188014045.db2.gz PMVYRMOBRBVNMC-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000152365619 188014047 /nfs/dbraw/zinc/01/40/47/188014047.db2.gz PMVYRMOBRBVNMC-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC(C)Oc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000152365619 188014048 /nfs/dbraw/zinc/01/40/48/188014048.db2.gz PMVYRMOBRBVNMC-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC[C@@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152928543 188053292 /nfs/dbraw/zinc/05/32/92/188053292.db2.gz OARWJHVMPIFUFC-CJNGLKHVSA-N 2 1 287.407 3.256 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)[C@H](C)C1 ZINC000156328220 188255862 /nfs/dbraw/zinc/25/58/62/188255862.db2.gz JTFKWSKFMLBWKR-CRAIPNDOSA-N 2 1 299.462 3.420 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292682050 198373955 /nfs/dbraw/zinc/37/39/55/198373955.db2.gz ATQODMZFQCMWQH-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292682050 198373957 /nfs/dbraw/zinc/37/39/57/198373957.db2.gz ATQODMZFQCMWQH-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292682050 198373961 /nfs/dbraw/zinc/37/39/61/198373961.db2.gz ATQODMZFQCMWQH-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@]3(CC[NH2+]C3)C1)CCC2 ZINC000420387847 283001195 /nfs/dbraw/zinc/00/11/95/283001195.db2.gz WDWLBPMONCTINK-ZWKOTPCHSA-N 2 1 288.410 3.279 20 0 CGADMP CSCC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411349579 235051337 /nfs/dbraw/zinc/05/13/37/235051337.db2.gz QZKZFJVIFUROOU-UHFFFAOYSA-N 2 1 292.492 3.467 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000271842351 191360733 /nfs/dbraw/zinc/36/07/33/191360733.db2.gz KXRBVEBLSZSUKF-MAUKXSAKSA-N 2 1 290.451 3.184 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000414177574 235354842 /nfs/dbraw/zinc/35/48/42/235354842.db2.gz JVGIUNCLUYANDF-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000414179664 235356365 /nfs/dbraw/zinc/35/63/65/235356365.db2.gz LMEKLIRBMVCOET-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)[C@H]2CCC[C@H]21 ZINC000367597799 283134062 /nfs/dbraw/zinc/13/40/62/283134062.db2.gz CEEWJQMFHMYDPV-OWCLPIDISA-N 2 1 262.441 3.029 20 0 CGADMP CC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000272984384 192007625 /nfs/dbraw/zinc/00/76/25/192007625.db2.gz YPNHGXMLEJJAFZ-HILOLKJVSA-N 2 1 272.436 3.428 20 0 CGADMP CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000272984384 192007629 /nfs/dbraw/zinc/00/76/29/192007629.db2.gz YPNHGXMLEJJAFZ-HILOLKJVSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000414794210 235466090 /nfs/dbraw/zinc/46/60/90/235466090.db2.gz FKHXXNIPFMUXKF-HNONPPJISA-N 2 1 272.436 3.286 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856935 235483189 /nfs/dbraw/zinc/48/31/89/235483189.db2.gz ZSLYGARTQYEDHO-CXAGYDPISA-N 2 1 278.415 3.254 20 0 CGADMP Cc1cc(C)cc(OCCC[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000420372957 235744688 /nfs/dbraw/zinc/74/46/88/235744688.db2.gz YPAXYJUBRIHCPE-INIZCTEOSA-N 2 1 278.440 3.035 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(F)cc1F ZINC000093516275 138347391 /nfs/dbraw/zinc/34/73/91/138347391.db2.gz PFLKCGVRHCYARW-WFASDCNBSA-N 2 1 282.378 3.365 20 0 CGADMP c1ccc(C([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000107785753 138358872 /nfs/dbraw/zinc/35/88/72/138358872.db2.gz GBGVSNAVDKKFGZ-MRXNPFEDSA-N 2 1 280.415 3.365 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC000105442824 138352251 /nfs/dbraw/zinc/35/22/51/138352251.db2.gz VOTFGSMJVHGWTK-PPYMECGQSA-N 2 1 269.392 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000105480545 138352292 /nfs/dbraw/zinc/35/22/92/138352292.db2.gz RFVZMEFQLGEEDO-RISCZKNCSA-N 2 1 286.341 3.135 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106869023 138355459 /nfs/dbraw/zinc/35/54/59/138355459.db2.gz WJEOHKWCLQOBSS-HUUCEWRRSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106869023 138355460 /nfs/dbraw/zinc/35/54/60/138355460.db2.gz WJEOHKWCLQOBSS-HUUCEWRRSA-N 2 1 298.352 3.422 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000110056317 138362205 /nfs/dbraw/zinc/36/22/05/138362205.db2.gz OJHBDODPWWIGMH-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000111695552 138364566 /nfs/dbraw/zinc/36/45/66/138364566.db2.gz GCXHJOFCKBBYAK-HOCLYGCPSA-N 2 1 268.404 3.399 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124316162 138374560 /nfs/dbraw/zinc/37/45/60/138374560.db2.gz NUGGPLGGXMNRRX-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000124316162 138374561 /nfs/dbraw/zinc/37/45/61/138374561.db2.gz NUGGPLGGXMNRRX-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000124750441 138377492 /nfs/dbraw/zinc/37/74/92/138377492.db2.gz HMDGAJBZBPYTOS-DLBZAZTESA-N 2 1 260.425 3.458 20 0 CGADMP COCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000125546327 138382968 /nfs/dbraw/zinc/38/29/68/138382968.db2.gz FGXCTSMLWVEHTD-OAHLLOKOSA-N 2 1 294.439 3.028 20 0 CGADMP C[NH2+]C[C@H](C)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000129559625 138397554 /nfs/dbraw/zinc/39/75/54/138397554.db2.gz OAXKNVZFFSEHAJ-JTQLQIEISA-N 2 1 263.772 3.156 20 0 CGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423084258 235970151 /nfs/dbraw/zinc/97/01/51/235970151.db2.gz HHVOLEZWDXSWJV-LKFCYVNXSA-N 2 1 288.769 3.096 20 0 CGADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000423226111 236002014 /nfs/dbraw/zinc/00/20/14/236002014.db2.gz PMAQVJLQSZLYGY-BQBZGAKWSA-N 2 1 267.225 3.443 20 0 CGADMP CCC[N@@H+](CCc1cccs1)CC1CC[NH2+]CC1 ZINC000094025433 283268205 /nfs/dbraw/zinc/26/82/05/283268205.db2.gz KCKDSOOMCOHJPU-UHFFFAOYSA-N 2 1 266.454 3.002 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423285810 236023566 /nfs/dbraw/zinc/02/35/66/236023566.db2.gz YTNXYZHTSPUUQM-BPUTZDHNSA-N 2 1 278.827 3.303 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)c2c1 ZINC000423269439 236015654 /nfs/dbraw/zinc/01/56/54/236015654.db2.gz HDZVTJSBVWXAFN-WFASDCNBSA-N 2 1 290.407 3.384 20 0 CGADMP Cc1cc(OCCC[C@H](C)[NH2+][C@H](C)C[NH3+])ccc1Cl ZINC000423315685 236035383 /nfs/dbraw/zinc/03/53/83/236035383.db2.gz ALHWWEIWDVZFHK-QWHCGFSZSA-N 2 1 284.831 3.133 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423316207 236035701 /nfs/dbraw/zinc/03/57/01/236035701.db2.gz ASXBIYCXAIOSIV-DDTOSNHZSA-N 2 1 286.341 3.278 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC000423331659 236040946 /nfs/dbraw/zinc/04/09/46/236040946.db2.gz USIDLFWXQVDXPM-KGLIPLIRSA-N 2 1 285.218 3.308 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1C(C)(C)C ZINC000423492223 236086157 /nfs/dbraw/zinc/08/61/57/236086157.db2.gz MGIZHVIZWDLEEE-GJZGRUSLSA-N 2 1 290.451 3.013 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cnc2ccsc2c1 ZINC000423403043 236065899 /nfs/dbraw/zinc/06/58/99/236065899.db2.gz XZCMTLNMBPZMAP-NTZNESFSSA-N 2 1 275.421 3.087 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CCCC1 ZINC000423503881 236088222 /nfs/dbraw/zinc/08/82/22/236088222.db2.gz NDJWBQYOBYFNGA-KSZLIROESA-N 2 1 272.436 3.430 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)c2ccsc2S1 ZINC000423522366 236092049 /nfs/dbraw/zinc/09/20/49/236092049.db2.gz HFABMPNDBMGWJO-GXFFZTMASA-N 2 1 282.478 3.405 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000294383125 199019425 /nfs/dbraw/zinc/01/94/25/199019425.db2.gz INBFABSEHFDDJH-OCCSQVGLSA-N 2 1 252.427 3.131 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CC24CC4)C3)cc1 ZINC000424321244 236148871 /nfs/dbraw/zinc/14/88/71/236148871.db2.gz JZCOKNKBNKZWON-ZJPYXAASSA-N 2 1 282.431 3.324 20 0 CGADMP COCC(C)(C)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000426408696 236293784 /nfs/dbraw/zinc/29/37/84/236293784.db2.gz BZXQMLYDMDNLKG-IRXDYDNUSA-N 2 1 296.499 3.245 20 0 CGADMP COCC(C)(C)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000426408696 236293786 /nfs/dbraw/zinc/29/37/86/236293786.db2.gz BZXQMLYDMDNLKG-IRXDYDNUSA-N 2 1 296.499 3.245 20 0 CGADMP COCC(C)(C)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000426408696 236293788 /nfs/dbraw/zinc/29/37/88/236293788.db2.gz BZXQMLYDMDNLKG-IRXDYDNUSA-N 2 1 296.499 3.245 20 0 CGADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CCC[C@H]43)cc2)cn1 ZINC000426492618 236299362 /nfs/dbraw/zinc/29/93/62/236299362.db2.gz SYZHBQMDMZKPFW-NVXWUHKLSA-N 2 1 267.376 3.247 20 0 CGADMP c1c2ccccc2sc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427139377 236323635 /nfs/dbraw/zinc/32/36/35/236323635.db2.gz FYMKKNVGMLYOOJ-ZFWWWQNUSA-N 2 1 272.417 3.085 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427139377 236323636 /nfs/dbraw/zinc/32/36/36/236323636.db2.gz FYMKKNVGMLYOOJ-ZFWWWQNUSA-N 2 1 272.417 3.085 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000119297189 370664502 /nfs/dbraw/zinc/66/45/02/370664502.db2.gz IXEFLSSDZHBCGB-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H](C)C1CCCCC1 ZINC000151368739 299291697 /nfs/dbraw/zinc/29/16/97/299291697.db2.gz FQQHYMMFTPUTLB-CVEARBPZSA-N 2 1 296.499 3.028 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000297691110 200262805 /nfs/dbraw/zinc/26/28/05/200262805.db2.gz PUQMOQUBRIARMT-LBPRGKRZSA-N 2 1 275.421 3.035 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000177295483 189042921 /nfs/dbraw/zinc/04/29/21/189042921.db2.gz NXNGESDJQHJXGE-HOTGVXAUSA-N 2 1 285.435 3.439 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000178705285 189138646 /nfs/dbraw/zinc/13/86/46/189138646.db2.gz VLBGJXLHUGLSES-OLZOCXBDSA-N 2 1 275.371 3.318 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CCC1 ZINC000342120937 216225871 /nfs/dbraw/zinc/22/58/71/216225871.db2.gz AKBPWYPQUQGMAD-UHFFFAOYSA-N 2 1 296.414 3.237 20 0 CGADMP COCc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000179223732 189178963 /nfs/dbraw/zinc/17/89/63/189178963.db2.gz JTEUWMYAWZGQLX-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000179223732 189178964 /nfs/dbraw/zinc/17/89/64/189178964.db2.gz JTEUWMYAWZGQLX-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000179223732 189178965 /nfs/dbraw/zinc/17/89/65/189178965.db2.gz JTEUWMYAWZGQLX-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000179223732 189178966 /nfs/dbraw/zinc/17/89/66/189178966.db2.gz JTEUWMYAWZGQLX-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000179678152 189212801 /nfs/dbraw/zinc/21/28/01/189212801.db2.gz VZYMNWLNAMRHCI-NWDGAFQWSA-N 2 1 293.361 3.457 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000179630809 189208292 /nfs/dbraw/zinc/20/82/92/189208292.db2.gz KOXQVBCSRQSANA-OAHLLOKOSA-N 2 1 284.403 3.330 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000179630809 189208293 /nfs/dbraw/zinc/20/82/93/189208293.db2.gz KOXQVBCSRQSANA-OAHLLOKOSA-N 2 1 284.403 3.330 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000181412606 189295963 /nfs/dbraw/zinc/29/59/63/189295963.db2.gz IKTPJRQUZIBHSP-VXGBXAGGSA-N 2 1 292.814 3.227 20 0 CGADMP Cc1cc[nH+]c(NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000301649403 201114369 /nfs/dbraw/zinc/11/43/69/201114369.db2.gz PHXKHMQFAPYQRJ-UHFFFAOYSA-N 2 1 273.424 3.457 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccncc1 ZINC000183184121 189349367 /nfs/dbraw/zinc/34/93/67/189349367.db2.gz OPPLLRFPRDQTMF-YQQAZPJKSA-N 2 1 287.451 3.385 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000342445599 216353815 /nfs/dbraw/zinc/35/38/15/216353815.db2.gz HTNSTKOVDUIHLV-GOSISDBHSA-N 2 1 283.419 3.461 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000342445599 216353817 /nfs/dbraw/zinc/35/38/17/216353817.db2.gz HTNSTKOVDUIHLV-GOSISDBHSA-N 2 1 283.419 3.461 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C(C)C ZINC000342541951 216388891 /nfs/dbraw/zinc/38/88/91/216388891.db2.gz IIOJSYXTBIZWKR-UHFFFAOYSA-N 2 1 257.381 3.102 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C(C)C ZINC000342541951 216388892 /nfs/dbraw/zinc/38/88/92/216388892.db2.gz IIOJSYXTBIZWKR-UHFFFAOYSA-N 2 1 257.381 3.102 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2ccoc21 ZINC000449324646 239314429 /nfs/dbraw/zinc/31/44/29/239314429.db2.gz GMTVQRTYDHSSJA-UHFFFAOYSA-N 2 1 283.375 3.460 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2ccoc21 ZINC000449324646 239314435 /nfs/dbraw/zinc/31/44/35/239314435.db2.gz GMTVQRTYDHSSJA-UHFFFAOYSA-N 2 1 283.375 3.460 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449295918 239297047 /nfs/dbraw/zinc/29/70/47/239297047.db2.gz WBIGBZGXSIAGNM-VQIMIIECSA-N 2 1 298.430 3.322 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449379337 239366555 /nfs/dbraw/zinc/36/65/55/239366555.db2.gz SVXWXDDRCRCBPJ-FGTMMUONSA-N 2 1 284.447 3.323 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000120109434 370738752 /nfs/dbraw/zinc/73/87/52/370738752.db2.gz WIFOQLGEZZPMGP-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)COc1ccccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000451173738 240236559 /nfs/dbraw/zinc/23/65/59/240236559.db2.gz TYURMSONEVNJCE-OAHLLOKOSA-N 2 1 278.440 3.009 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275356203 193009349 /nfs/dbraw/zinc/00/93/49/193009349.db2.gz AMAVTJIDWOVFQY-LSDHHAIUSA-N 2 1 261.413 3.170 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1F ZINC000275396945 193021209 /nfs/dbraw/zinc/02/12/09/193021209.db2.gz CFOPVIGJNIQPMB-VXGBXAGGSA-N 2 1 291.345 3.075 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459650033 242161812 /nfs/dbraw/zinc/16/18/12/242161812.db2.gz LREJPAPLFXKBRC-OAGGEKHMSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459650033 242161818 /nfs/dbraw/zinc/16/18/18/242161818.db2.gz LREJPAPLFXKBRC-OAGGEKHMSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459731568 242196835 /nfs/dbraw/zinc/19/68/35/242196835.db2.gz FHEABKNJDQKBJD-ZBFHGGJFSA-N 2 1 278.415 3.078 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000459738604 242201625 /nfs/dbraw/zinc/20/16/25/242201625.db2.gz RZNHODXCOQTXKD-ZDUSSCGKSA-N 2 1 298.377 3.110 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000482242627 243219826 /nfs/dbraw/zinc/21/98/26/243219826.db2.gz GCDVETWKKRXUNA-FUHWJXTLSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000482212745 243220449 /nfs/dbraw/zinc/22/04/49/243220449.db2.gz QNXLCIVZISWNID-CGTJXYLNSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000482212745 243220453 /nfs/dbraw/zinc/22/04/53/243220453.db2.gz QNXLCIVZISWNID-CGTJXYLNSA-N 2 1 272.436 3.082 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000483732690 243295128 /nfs/dbraw/zinc/29/51/28/243295128.db2.gz MLVHRGZAEYYERX-IIDMSEBBSA-N 2 1 290.451 3.119 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000011888403 368598674 /nfs/dbraw/zinc/59/86/74/368598674.db2.gz FAYUNRZIIMETAN-OAHLLOKOSA-N 2 1 260.425 3.155 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000019959350 368789580 /nfs/dbraw/zinc/78/95/80/368789580.db2.gz KDXHVMLQJDNUEL-LLVKDONJSA-N 2 1 274.330 3.308 20 0 CGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054354 368994758 /nfs/dbraw/zinc/99/47/58/368994758.db2.gz LQOKMQHKHVKRJC-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649537 369097374 /nfs/dbraw/zinc/09/73/74/369097374.db2.gz YBXQMSMLDGNBCZ-CVEARBPZSA-N 2 1 272.436 3.438 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649509 369097819 /nfs/dbraw/zinc/09/78/19/369097819.db2.gz AHOJUSPEAVFHJY-HOCLYGCPSA-N 2 1 272.436 3.384 20 0 CGADMP CCOCc1ccccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037762181 369104944 /nfs/dbraw/zinc/10/49/44/369104944.db2.gz RLPZNUSMZAUEDX-UHFFFAOYSA-N 2 1 290.451 3.186 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)s1 ZINC000041631561 369193658 /nfs/dbraw/zinc/19/36/58/369193658.db2.gz IFLKQLHFUGUIJI-CHWSQXEVSA-N 2 1 266.454 3.303 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000219091921 376195430 /nfs/dbraw/zinc/19/54/30/376195430.db2.gz BKLXGJCDBOEQDG-AWEZNQCLSA-N 2 1 266.404 3.077 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000494504703 244294474 /nfs/dbraw/zinc/29/44/74/244294474.db2.gz ARYVUFWHLMSRLG-NVXWUHKLSA-N 2 1 290.451 3.002 20 0 CGADMP CCc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000051721774 369452912 /nfs/dbraw/zinc/45/29/12/369452912.db2.gz VWZHTZPREPSRON-UHFFFAOYSA-N 2 1 264.413 3.241 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000219150376 376196486 /nfs/dbraw/zinc/19/64/86/376196486.db2.gz KKDHJZVDPVSAFT-GFCCVEGCSA-N 2 1 270.367 3.346 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000219150376 376196488 /nfs/dbraw/zinc/19/64/88/376196488.db2.gz KKDHJZVDPVSAFT-GFCCVEGCSA-N 2 1 270.367 3.346 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000129085132 370974905 /nfs/dbraw/zinc/97/49/05/370974905.db2.gz NQVXCCKQOMXUJC-ALOPSCKCSA-N 2 1 276.399 3.239 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000069754029 369769594 /nfs/dbraw/zinc/76/95/94/369769594.db2.gz LNAKLLXYJKMQLV-UHFFFAOYSA-N 2 1 271.408 3.495 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000070074635 369778799 /nfs/dbraw/zinc/77/87/99/369778799.db2.gz LMSYAOVLURZTNB-YPMHNXCESA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000070074635 369778801 /nfs/dbraw/zinc/77/88/01/369778801.db2.gz LMSYAOVLURZTNB-YPMHNXCESA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000070101704 369780599 /nfs/dbraw/zinc/78/05/99/369780599.db2.gz HRNKVORVTZQYOL-INIZCTEOSA-N 2 1 286.463 3.472 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148515 369782128 /nfs/dbraw/zinc/78/21/28/369782128.db2.gz PKIFMAABFFQORE-MRXNPFEDSA-N 2 1 276.424 3.179 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171589 369786442 /nfs/dbraw/zinc/78/64/42/369786442.db2.gz JGWYCJWEQKQYMO-ZBFHGGJFSA-N 2 1 276.424 3.035 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000076003610 369925054 /nfs/dbraw/zinc/92/50/54/369925054.db2.gz BDAYQQBYKANYME-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000076003610 369925058 /nfs/dbraw/zinc/92/50/58/369925058.db2.gz BDAYQQBYKANYME-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000090721286 370066403 /nfs/dbraw/zinc/06/64/03/370066403.db2.gz IXMXRHXKECTNLE-CVEARBPZSA-N 2 1 260.425 3.184 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090721612 370067182 /nfs/dbraw/zinc/06/71/82/370067182.db2.gz SBAYXKXFHDBSSO-HOCLYGCPSA-N 2 1 276.424 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000090972683 370071767 /nfs/dbraw/zinc/07/17/67/370071767.db2.gz ICQMBGSSRMWXLY-RKVPGOIHSA-N 2 1 286.463 3.110 20 0 CGADMP C1=CC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000093683422 370152742 /nfs/dbraw/zinc/15/27/42/370152742.db2.gz IOSKXMLOJTWTDY-IRXDYDNUSA-N 2 1 262.441 3.151 20 0 CGADMP CCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644637 370154408 /nfs/dbraw/zinc/15/44/08/370154408.db2.gz WNGLUAKRKIHTQP-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644637 370154415 /nfs/dbraw/zinc/15/44/15/370154415.db2.gz WNGLUAKRKIHTQP-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093644637 370154419 /nfs/dbraw/zinc/15/44/19/370154419.db2.gz WNGLUAKRKIHTQP-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644637 370154425 /nfs/dbraw/zinc/15/44/25/370154425.db2.gz WNGLUAKRKIHTQP-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)CCOc2cccc(F)c2)CC1 ZINC000109788790 370366230 /nfs/dbraw/zinc/36/62/30/370366230.db2.gz NDEKGGXFMZTPPF-UHFFFAOYSA-N 2 1 294.414 3.011 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2cccc(F)c2)CC1 ZINC000109788790 370366234 /nfs/dbraw/zinc/36/62/34/370366234.db2.gz NDEKGGXFMZTPPF-UHFFFAOYSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000113513312 370476205 /nfs/dbraw/zinc/47/62/05/370476205.db2.gz ONNZVTSSTIVDSZ-MRXNPFEDSA-N 2 1 298.430 3.102 20 0 CGADMP C[N@H+](Cc1cccc2cccnc21)C[C@H]1CCC[NH+](C)C1 ZINC000118841280 370628275 /nfs/dbraw/zinc/62/82/75/370628275.db2.gz WRNZVRWGNPFCRP-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)C[C@H]1CCC[N@H+](C)C1 ZINC000118841280 370628279 /nfs/dbraw/zinc/62/82/79/370628279.db2.gz WRNZVRWGNPFCRP-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841280 370628284 /nfs/dbraw/zinc/62/82/84/370628284.db2.gz WRNZVRWGNPFCRP-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486504 371038545 /nfs/dbraw/zinc/03/85/45/371038545.db2.gz VRRUUUIJCFIFJS-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486504 371038547 /nfs/dbraw/zinc/03/85/47/371038547.db2.gz VRRUUUIJCFIFJS-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486504 371038548 /nfs/dbraw/zinc/03/85/48/371038548.db2.gz VRRUUUIJCFIFJS-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP COCc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)o1 ZINC000131062439 371080311 /nfs/dbraw/zinc/08/03/11/371080311.db2.gz KAEUIMJVWFGURF-GDBMZVCRSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)o1 ZINC000131062439 371080318 /nfs/dbraw/zinc/08/03/18/371080318.db2.gz KAEUIMJVWFGURF-GDBMZVCRSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)o1 ZINC000131062439 371080324 /nfs/dbraw/zinc/08/03/24/371080324.db2.gz KAEUIMJVWFGURF-GDBMZVCRSA-N 2 1 292.423 3.047 20 0 CGADMP COCc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)o1 ZINC000131062439 371080330 /nfs/dbraw/zinc/08/03/30/371080330.db2.gz KAEUIMJVWFGURF-GDBMZVCRSA-N 2 1 292.423 3.047 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000131406592 371106489 /nfs/dbraw/zinc/10/64/89/371106489.db2.gz JOLXJWRDFCTJOE-HUUCEWRRSA-N 2 1 280.362 3.341 20 0 CGADMP Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCn2ccnc2)o1 ZINC000131545632 371115249 /nfs/dbraw/zinc/11/52/49/371115249.db2.gz IYQIGTOLVKCQDV-UKRRQHHQSA-N 2 1 273.380 3.258 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000132119319 371153506 /nfs/dbraw/zinc/15/35/06/371153506.db2.gz YANBRNVNXOVPNS-OAHLLOKOSA-N 2 1 294.414 3.217 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)ccc2c1 ZINC000132215982 371159772 /nfs/dbraw/zinc/15/97/72/371159772.db2.gz LCGHGIMHCCOKCO-CXAGYDPISA-N 2 1 284.403 3.018 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000133634160 371267781 /nfs/dbraw/zinc/26/77/81/371267781.db2.gz NOZAUXHFWHDHEA-IPYPFGDCSA-N 2 1 296.842 3.037 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000220205769 376207595 /nfs/dbraw/zinc/20/75/95/376207595.db2.gz JVAAYDOSNSOIIN-CVEARBPZSA-N 2 1 260.425 3.171 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000151106403 371569748 /nfs/dbraw/zinc/56/97/48/371569748.db2.gz CGQLWCLHEBEQKA-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000151106403 371569756 /nfs/dbraw/zinc/56/97/56/371569756.db2.gz CGQLWCLHEBEQKA-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000151107221 371570298 /nfs/dbraw/zinc/57/02/98/371570298.db2.gz FKEXKGGTORUZRD-JKSUJKDBSA-N 2 1 252.446 3.443 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2(OC)CCCCC2)C1 ZINC000421823298 371645530 /nfs/dbraw/zinc/64/55/30/371645530.db2.gz CRFMMWLPWDGVMU-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCCC1 ZINC000421840007 371663638 /nfs/dbraw/zinc/66/36/38/371663638.db2.gz ZHZXUPIBFJLKAB-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1Cl ZINC000421863717 371686791 /nfs/dbraw/zinc/68/67/91/371686791.db2.gz XNZGKTCKFRXVBV-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422561237 371749497 /nfs/dbraw/zinc/74/94/97/371749497.db2.gz KAFHUGHSIWQOBA-INIZCTEOSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000422564156 371752413 /nfs/dbraw/zinc/75/24/13/371752413.db2.gz VOLDZJSFVUPTPI-SSGTUYFUSA-N 2 1 272.436 3.095 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422564696 371752725 /nfs/dbraw/zinc/75/27/25/371752725.db2.gz WRFBWSJNVMLKHJ-XQQFMLRXSA-N 2 1 281.469 3.072 20 0 CGADMP CC(C)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422564696 371752732 /nfs/dbraw/zinc/75/27/32/371752732.db2.gz WRFBWSJNVMLKHJ-XQQFMLRXSA-N 2 1 281.469 3.072 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000422564157 371753203 /nfs/dbraw/zinc/75/32/03/371753203.db2.gz VOLDZJSFVUPTPI-YGTYDBBMSA-N 2 1 272.436 3.095 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422717023 371765978 /nfs/dbraw/zinc/76/59/78/371765978.db2.gz NZWKCNPEQDNUSQ-HOTGVXAUSA-N 2 1 276.424 3.223 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422733648 371771817 /nfs/dbraw/zinc/77/18/17/371771817.db2.gz BQGDWNZIOLHYEA-SQNIBIBYSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422733648 371771827 /nfs/dbraw/zinc/77/18/27/371771827.db2.gz BQGDWNZIOLHYEA-SQNIBIBYSA-N 3 1 295.515 3.007 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422733648 371771837 /nfs/dbraw/zinc/77/18/37/371771837.db2.gz BQGDWNZIOLHYEA-SQNIBIBYSA-N 3 1 295.515 3.007 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337325672 214008907 /nfs/dbraw/zinc/00/89/07/214008907.db2.gz CBVRCNDHVGEDID-FUHWJXTLSA-N 2 1 289.467 3.428 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000337340011 214016558 /nfs/dbraw/zinc/01/65/58/214016558.db2.gz OZGOLDJPKQTVPI-RYQLBKOJSA-N 2 1 287.451 3.038 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422771553 371797669 /nfs/dbraw/zinc/79/76/69/371797669.db2.gz VYJPIMDXDNWFAY-KGLIPLIRSA-N 2 1 269.392 3.257 20 0 CGADMP CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)C3C[NH2+]C3)oc21 ZINC000422781340 371803489 /nfs/dbraw/zinc/80/34/89/371803489.db2.gz IMNPJUTUJWYCJX-VXGBXAGGSA-N 2 1 288.391 3.090 20 0 CGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422782026 371804442 /nfs/dbraw/zinc/80/44/42/371804442.db2.gz MLRIKSRIHVCZFC-YGRLFVJLSA-N 2 1 270.779 3.086 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422786002 371806651 /nfs/dbraw/zinc/80/66/51/371806651.db2.gz QAYOAKCXYJRAPV-CQSZACIVSA-N 2 1 269.392 3.004 20 0 CGADMP COCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422801425 371818795 /nfs/dbraw/zinc/81/87/95/371818795.db2.gz BXEWPQQZPJYLSB-QZTJIDSGSA-N 2 1 282.387 3.067 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422812822 371825467 /nfs/dbraw/zinc/82/54/67/371825467.db2.gz RATUGTSPZKTQQW-XIRDDKMYSA-N 2 1 260.425 3.014 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1(CC)CC ZINC000422836931 371835256 /nfs/dbraw/zinc/83/52/56/371835256.db2.gz LABBUWUJOGCYQQ-DAXOMENPSA-N 2 1 291.439 3.129 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422837951 371835297 /nfs/dbraw/zinc/83/52/97/371835297.db2.gz NFYOAYWTWREGME-GUTXKFCHSA-N 2 1 296.842 3.228 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422875183 371848830 /nfs/dbraw/zinc/84/88/30/371848830.db2.gz CDXQPSWEBLDXSR-KGLIPLIRSA-N 2 1 270.779 3.229 20 0 CGADMP CCOc1ccccc1[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422884491 371853622 /nfs/dbraw/zinc/85/36/22/371853622.db2.gz XCOFYTKHWFZYBV-MYSGWJLTSA-N 2 1 288.435 3.409 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422926397 371875528 /nfs/dbraw/zinc/87/55/28/371875528.db2.gz WVHMHKSAAGXNGY-SNPRPXQTSA-N 2 1 296.842 3.228 20 0 CGADMP C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422932229 371878642 /nfs/dbraw/zinc/87/86/42/371878642.db2.gz FEUWCSKZSBFGKE-ACJLOTCBSA-N 2 1 284.378 3.113 20 0 CGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422940494 371881055 /nfs/dbraw/zinc/88/10/55/371881055.db2.gz SWJAZCBBCLHCCY-XJKSGUPXSA-N 2 1 296.842 3.087 20 0 CGADMP C[C@H]([NH2+]CCc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]1 ZINC000422938543 371881616 /nfs/dbraw/zinc/88/16/16/371881616.db2.gz HBTIIJNSRVAKTL-GWCFXTLKSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423050085 371934212 /nfs/dbraw/zinc/93/42/12/371934212.db2.gz LGLOLCMKWJGRDL-DZOHQFGASA-N 2 1 288.435 3.027 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344102842 217051162 /nfs/dbraw/zinc/05/11/62/217051162.db2.gz FOHWLVALZPAFDV-ZFWWWQNUSA-N 2 1 286.419 3.356 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCCC(F)(F)F)CC[N@@H+]1C ZINC000154959871 371892572 /nfs/dbraw/zinc/89/25/72/371892572.db2.gz MLTUQUWHMBMMBM-NWDGAFQWSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCCC(F)(F)F)CC[N@H+]1C ZINC000154959871 371892581 /nfs/dbraw/zinc/89/25/81/371892581.db2.gz MLTUQUWHMBMMBM-NWDGAFQWSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCCC(F)(F)F)CC[NH+]1C ZINC000154959871 371892588 /nfs/dbraw/zinc/89/25/88/371892588.db2.gz MLTUQUWHMBMMBM-NWDGAFQWSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCCC(F)(F)F)CC[NH+]1C ZINC000154959871 371892592 /nfs/dbraw/zinc/89/25/92/371892592.db2.gz MLTUQUWHMBMMBM-NWDGAFQWSA-N 2 1 266.351 3.134 20 0 CGADMP CC(C)CSCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000154960415 371893896 /nfs/dbraw/zinc/89/38/96/371893896.db2.gz ACOUYOZWVHQGOF-HUUCEWRRSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000154960415 371893899 /nfs/dbraw/zinc/89/38/99/371893899.db2.gz ACOUYOZWVHQGOF-HUUCEWRRSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154960415 371893902 /nfs/dbraw/zinc/89/39/02/371893902.db2.gz ACOUYOZWVHQGOF-HUUCEWRRSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154960415 371893905 /nfs/dbraw/zinc/89/39/05/371893905.db2.gz ACOUYOZWVHQGOF-HUUCEWRRSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154960727 371893931 /nfs/dbraw/zinc/89/39/31/371893931.db2.gz ACOUYOZWVHQGOF-GJZGRUSLSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154960727 371893933 /nfs/dbraw/zinc/89/39/33/371893933.db2.gz ACOUYOZWVHQGOF-GJZGRUSLSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154960727 371893934 /nfs/dbraw/zinc/89/39/34/371893934.db2.gz ACOUYOZWVHQGOF-GJZGRUSLSA-N 2 1 272.502 3.180 20 0 CGADMP CC(C)CSCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154960727 371893936 /nfs/dbraw/zinc/89/39/36/371893936.db2.gz ACOUYOZWVHQGOF-GJZGRUSLSA-N 2 1 272.502 3.180 20 0 CGADMP CSc1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)ccn1 ZINC000422996572 371907428 /nfs/dbraw/zinc/90/74/28/371907428.db2.gz TULGVYSNMQXJLK-UKRRQHHQSA-N 2 1 293.480 3.204 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000422997769 371908468 /nfs/dbraw/zinc/90/84/68/371908468.db2.gz BWSDUEDOEAKUSI-HNNXBMFYSA-N 2 1 283.419 3.313 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423006512 371913013 /nfs/dbraw/zinc/91/30/13/371913013.db2.gz VOPIFJUUXCIFCB-PBHICJAKSA-N 2 1 290.451 3.093 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CCN1C ZINC000290166904 371919245 /nfs/dbraw/zinc/91/92/45/371919245.db2.gz YAYYDZYPIYUSQM-SDCXRFKSSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@H]1C[C@@H](N(C)C/C=C/c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000290166904 371919249 /nfs/dbraw/zinc/91/92/49/371919249.db2.gz YAYYDZYPIYUSQM-SDCXRFKSSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@H]1C[C@@H](N(C)C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000290166904 371919254 /nfs/dbraw/zinc/91/92/54/371919254.db2.gz YAYYDZYPIYUSQM-SDCXRFKSSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423094728 371961399 /nfs/dbraw/zinc/96/13/99/371961399.db2.gz KQBOEDSQAYSTOJ-AVGNSLFASA-N 2 1 285.366 3.230 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423098521 371962701 /nfs/dbraw/zinc/96/27/01/371962701.db2.gz SCKYMISBTJEKHS-MWDXBVQZSA-N 2 1 282.472 3.090 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423100541 371963414 /nfs/dbraw/zinc/96/34/14/371963414.db2.gz MXVUNQVEQYMNSH-CGBQZSDPSA-N 2 1 296.817 3.313 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353135 371970396 /nfs/dbraw/zinc/97/03/96/371970396.db2.gz GETOCYGKABTDJD-YJBOKZPZSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353135 371970403 /nfs/dbraw/zinc/97/04/03/371970403.db2.gz GETOCYGKABTDJD-YJBOKZPZSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353135 371970413 /nfs/dbraw/zinc/97/04/13/371970413.db2.gz GETOCYGKABTDJD-YJBOKZPZSA-N 2 1 283.419 3.084 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353132 371970769 /nfs/dbraw/zinc/97/07/69/371970769.db2.gz GETOCYGKABTDJD-MAUKXSAKSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353132 371970777 /nfs/dbraw/zinc/97/07/77/371970777.db2.gz GETOCYGKABTDJD-MAUKXSAKSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353132 371970786 /nfs/dbraw/zinc/97/07/86/371970786.db2.gz GETOCYGKABTDJD-MAUKXSAKSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000156439184 371978351 /nfs/dbraw/zinc/97/83/51/371978351.db2.gz FXNNNROJDZMXNN-FUHWJXTLSA-N 2 1 283.419 3.317 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423125165 371979397 /nfs/dbraw/zinc/97/93/97/371979397.db2.gz NCZJZBDHPLYIAY-KBPBESRZSA-N 2 1 293.455 3.112 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1(CC)CC ZINC000344134238 217066411 /nfs/dbraw/zinc/06/64/11/217066411.db2.gz RRIWGJCSSBWLKZ-VVLHAWIVSA-N 2 1 294.483 3.187 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1(CC)CC ZINC000344134238 217066412 /nfs/dbraw/zinc/06/64/12/217066412.db2.gz RRIWGJCSSBWLKZ-VVLHAWIVSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454544 371991368 /nfs/dbraw/zinc/99/13/68/371991368.db2.gz MMNCFCUARGXXJF-RDJZCZTQSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454544 371991371 /nfs/dbraw/zinc/99/13/71/371991371.db2.gz MMNCFCUARGXXJF-RDJZCZTQSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454544 371991375 /nfs/dbraw/zinc/99/13/75/371991375.db2.gz MMNCFCUARGXXJF-RDJZCZTQSA-N 2 1 283.419 3.084 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000423149941 371993010 /nfs/dbraw/zinc/99/30/10/371993010.db2.gz YHIOLTOVWRIYTH-BRXULGCHSA-N 2 1 278.827 3.316 20 0 CGADMP Cc1ccncc1CCC[N@@H+](Cc1cccnc1)C1CC1 ZINC000290459886 371993543 /nfs/dbraw/zinc/99/35/43/371993543.db2.gz MZSLWXLNHBCIBV-UHFFFAOYSA-N 2 1 281.403 3.382 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cs1 ZINC000156978295 372003158 /nfs/dbraw/zinc/00/31/58/372003158.db2.gz NPEBBMRTQVGIOV-VNHYZAJKSA-N 2 1 295.496 3.127 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000344149850 217074640 /nfs/dbraw/zinc/07/46/40/217074640.db2.gz SGHVCPYYYUZZQS-UHFFFAOYSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000344149850 217074644 /nfs/dbraw/zinc/07/46/44/217074644.db2.gz SGHVCPYYYUZZQS-UHFFFAOYSA-N 2 1 289.345 3.244 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423086592 371954521 /nfs/dbraw/zinc/95/45/21/371954521.db2.gz MGLHYJMHVVKZAI-IPMKNSEASA-N 2 1 296.414 3.499 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423195520 372019439 /nfs/dbraw/zinc/01/94/39/372019439.db2.gz ZIRCCJNUUZBKJK-CYBMUJFWSA-N 2 1 270.779 3.272 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cn1 ZINC000423197920 372020844 /nfs/dbraw/zinc/02/08/44/372020844.db2.gz BZCQUWAWAFDEPW-CQSZACIVSA-N 2 1 278.444 3.166 20 0 CGADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423198621 372023214 /nfs/dbraw/zinc/02/32/14/372023214.db2.gz GWJNHFLRFGUJEA-AWEZNQCLSA-N 2 1 282.815 3.061 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccncc1 ZINC000423198276 372023228 /nfs/dbraw/zinc/02/32/28/372023228.db2.gz FAHSUMDYWISLJD-OAHLLOKOSA-N 2 1 261.413 3.174 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)CC2)CC[N@@H+]1C ZINC000157768104 372036510 /nfs/dbraw/zinc/03/65/10/372036510.db2.gz AXAKQNKXQROTFL-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)CC2)CC[N@H+]1C ZINC000157768104 372036512 /nfs/dbraw/zinc/03/65/12/372036512.db2.gz AXAKQNKXQROTFL-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218648 372038808 /nfs/dbraw/zinc/03/88/08/372038808.db2.gz SECASRVFGVEDET-RWMBFGLXSA-N 2 1 296.842 3.387 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423262946 372044191 /nfs/dbraw/zinc/04/41/91/372044191.db2.gz NWQUASNMUGNJSV-CKDBGZEDSA-N 2 1 282.472 3.220 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c1 ZINC000423258988 372044243 /nfs/dbraw/zinc/04/42/43/372044243.db2.gz CUJXUYMVIIQCMQ-UONOGXRCSA-N 2 1 264.413 3.028 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CCCCC1 ZINC000423267503 372045633 /nfs/dbraw/zinc/04/56/33/372045633.db2.gz TUVFDNCBJHVNOR-IRXDYDNUSA-N 2 1 276.399 3.310 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCc2ccccc2CC1)C1CCCCC1 ZINC000423267972 372045721 /nfs/dbraw/zinc/04/57/21/372045721.db2.gz UJKMAGDTCIEHSU-LJQANCHMSA-N 2 1 286.463 3.431 20 0 CGADMP COc1ccccc1[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000423319681 372051555 /nfs/dbraw/zinc/05/15/55/372051555.db2.gz LWQLUBZPXKBHSL-SJLPKXTDSA-N 2 1 288.435 3.253 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423374430 372055422 /nfs/dbraw/zinc/05/54/22/372055422.db2.gz SVOMOGHQEFQIID-WFTWPBCJSA-N 2 1 294.389 3.189 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000158143703 372055811 /nfs/dbraw/zinc/05/58/11/372055811.db2.gz PMZLOTUEDWTRFJ-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000423178507 372005921 /nfs/dbraw/zinc/00/59/21/372005921.db2.gz KRTUHBSRDGAIIR-CYBMUJFWSA-N 2 1 262.397 3.007 20 0 CGADMP CC(C)CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccoc1 ZINC000423180116 372009276 /nfs/dbraw/zinc/00/92/76/372009276.db2.gz IDROKLRLEMEEEK-HNNXBMFYSA-N 2 1 250.386 3.099 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423439752 372063711 /nfs/dbraw/zinc/06/37/11/372063711.db2.gz IBNLCRQIURZLMT-UTUOFQBUSA-N 2 1 252.427 3.185 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424299857 372081372 /nfs/dbraw/zinc/08/13/72/372081372.db2.gz WAHRESYLMDHIKL-CYBMUJFWSA-N 2 1 278.827 3.304 20 0 CGADMP CC(C)OCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158870866 372088817 /nfs/dbraw/zinc/08/88/17/372088817.db2.gz COEFKULUWLKLOR-KRWDZBQOSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)C[NH+](C)C ZINC000425947819 372147114 /nfs/dbraw/zinc/14/71/14/372147114.db2.gz XHXSJLQSUVQHTH-DOMZBBRYSA-N 2 1 296.842 3.341 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161603583 372340699 /nfs/dbraw/zinc/34/06/99/372340699.db2.gz SMVYHLSRVCVCFQ-IIVZCXTMSA-N 2 1 270.420 3.136 20 0 CGADMP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000044725806 541873680 /nfs/dbraw/zinc/87/36/80/541873680.db2.gz KGWZFVCWUYLISE-ZDUSSCGKSA-N 2 1 267.376 3.192 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000162117380 372374471 /nfs/dbraw/zinc/37/44/71/372374471.db2.gz XSVSPAAMZUIVJM-MUQADHOPSA-N 2 1 274.452 3.417 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1[NH3+] ZINC000430921345 372405180 /nfs/dbraw/zinc/40/51/80/372405180.db2.gz XTYBHZBHYSTQQD-YOEHRIQHSA-N 2 1 297.402 3.043 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1[NH3+] ZINC000430921345 372405189 /nfs/dbraw/zinc/40/51/89/372405189.db2.gz XTYBHZBHYSTQQD-YOEHRIQHSA-N 2 1 297.402 3.043 20 0 CGADMP C[C@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000430929955 372407032 /nfs/dbraw/zinc/40/70/32/372407032.db2.gz YRWSIKGZTUHTKO-JSGCOSHPSA-N 2 1 298.883 3.491 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000430970134 372412108 /nfs/dbraw/zinc/41/21/08/372412108.db2.gz ILAQDCSJPVWZFK-MRXNPFEDSA-N 2 1 298.430 3.150 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1nccc2ccccc21)C[NH+](C)C ZINC000293364249 372365917 /nfs/dbraw/zinc/36/59/17/372365917.db2.gz HORQVIZFVOCCIJ-ZIAGYGMSSA-N 2 1 271.408 3.083 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2C)C1 ZINC000163231285 372455521 /nfs/dbraw/zinc/45/55/21/372455521.db2.gz CHWVYIRYHLASJU-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000163222626 372456131 /nfs/dbraw/zinc/45/61/31/372456131.db2.gz KHCKSYIPTYLDQK-IYOUNJFTSA-N 2 1 290.426 3.381 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000164487047 372522459 /nfs/dbraw/zinc/52/24/59/372522459.db2.gz HSVJIEJHPNCENH-CYBMUJFWSA-N 2 1 279.403 3.136 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000165272355 372547566 /nfs/dbraw/zinc/54/75/66/372547566.db2.gz OJKVVTSFYFRUFG-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000166062731 372563537 /nfs/dbraw/zinc/56/35/37/372563537.db2.gz QMALFXQGOPRZSG-INMHGKMJSA-N 2 1 290.451 3.261 20 0 CGADMP Clc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166353877 372572532 /nfs/dbraw/zinc/57/25/32/372572532.db2.gz UFPFOZOLPKNBSO-VXGBXAGGSA-N 2 1 284.856 3.160 20 0 CGADMP c1ccc2c(c1)ccnc2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000168652804 372615241 /nfs/dbraw/zinc/61/52/41/372615241.db2.gz VUXYPJLOSRORIS-ZDUSSCGKSA-N 2 1 267.376 3.131 20 0 CGADMP Cc1cc(OCC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C(C)C ZINC000168683950 372616870 /nfs/dbraw/zinc/61/68/70/372616870.db2.gz GMZSWVOOKLRXSO-CVEARBPZSA-N 2 1 290.451 3.166 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435372236 372753428 /nfs/dbraw/zinc/75/34/28/372753428.db2.gz QPNGDQZQJFDYDQ-OAHLLOKOSA-N 2 1 284.403 3.378 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435372236 372753429 /nfs/dbraw/zinc/75/34/29/372753429.db2.gz QPNGDQZQJFDYDQ-OAHLLOKOSA-N 2 1 284.403 3.378 20 0 CGADMP COc1ccccc1-c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000435379457 372753960 /nfs/dbraw/zinc/75/39/60/372753960.db2.gz JDTSGJZBIYXKTJ-UHFFFAOYSA-N 2 1 296.414 3.158 20 0 CGADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000435379457 372753968 /nfs/dbraw/zinc/75/39/68/372753968.db2.gz JDTSGJZBIYXKTJ-UHFFFAOYSA-N 2 1 296.414 3.158 20 0 CGADMP CC[N@@H+](C/C=C\c1ccccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435395843 372758116 /nfs/dbraw/zinc/75/81/16/372758116.db2.gz VFWZHUPENRKWCT-KMDWOBIYSA-N 2 1 288.435 3.172 20 0 CGADMP CCC[C@H](C)C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435427380 372762396 /nfs/dbraw/zinc/76/23/96/372762396.db2.gz LQGPJTDEEXINQZ-DZGCQCFKSA-N 2 1 295.496 3.299 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000435868572 372821136 /nfs/dbraw/zinc/82/11/36/372821136.db2.gz FXLVNVHYUALNGL-AWEZNQCLSA-N 2 1 252.789 3.086 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000435868572 372821143 /nfs/dbraw/zinc/82/11/43/372821143.db2.gz FXLVNVHYUALNGL-AWEZNQCLSA-N 2 1 252.789 3.086 20 0 CGADMP C[NH2+]CCC[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000435877023 372823285 /nfs/dbraw/zinc/82/32/85/372823285.db2.gz MQNMWVWZSGDPHE-LBPRGKRZSA-N 2 1 266.816 3.475 20 0 CGADMP Cc1cccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[nH+]1 ZINC000171651486 372801558 /nfs/dbraw/zinc/80/15/58/372801558.db2.gz BDPBVNJGEUCSJY-GOSISDBHSA-N 2 1 295.430 3.367 20 0 CGADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH+]1 ZINC000171651486 372801563 /nfs/dbraw/zinc/80/15/63/372801563.db2.gz BDPBVNJGEUCSJY-GOSISDBHSA-N 2 1 295.430 3.367 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353462803 220099223 /nfs/dbraw/zinc/09/92/23/220099223.db2.gz PIAHMSWPJKOFRC-DJIMGWMZSA-N 2 1 276.399 3.097 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000353479817 220107668 /nfs/dbraw/zinc/10/76/68/220107668.db2.gz AZQMDHZHBVNMIO-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000353479817 220107669 /nfs/dbraw/zinc/10/76/69/220107669.db2.gz AZQMDHZHBVNMIO-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP CN(CCC[N@@H+](C)CC1CC(F)(F)C1)Cc1ccco1 ZINC000296098881 373020546 /nfs/dbraw/zinc/02/05/46/373020546.db2.gz XCZMSYPSFNNOMX-UHFFFAOYSA-N 2 1 286.366 3.079 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)[C@@H](C)C1 ZINC000442785281 373081798 /nfs/dbraw/zinc/08/17/98/373081798.db2.gz RMRRJGYVUWUITA-ABXWRUBCSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000442799569 373088690 /nfs/dbraw/zinc/08/86/90/373088690.db2.gz YWDFGVGIKIJYIK-LMWSTFAQSA-N 2 1 285.382 3.241 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000296390748 373115736 /nfs/dbraw/zinc/11/57/36/373115736.db2.gz KAXRVENLUQXKJB-HDMKZQKVSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000296390748 373115739 /nfs/dbraw/zinc/11/57/39/373115739.db2.gz KAXRVENLUQXKJB-HDMKZQKVSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442754225 373072987 /nfs/dbraw/zinc/07/29/87/373072987.db2.gz HVCSHRMPYUFZHM-DNLWUEFJSA-N 2 1 264.457 3.418 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000173318088 373123981 /nfs/dbraw/zinc/12/39/81/373123981.db2.gz CCOIOJAICIKKSW-CQSZACIVSA-N 2 1 296.480 3.027 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000442918073 373128728 /nfs/dbraw/zinc/12/87/28/373128728.db2.gz BWBPDUVLNJNUEW-LBPRGKRZSA-N 2 1 276.355 3.133 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443055741 373146478 /nfs/dbraw/zinc/14/64/78/373146478.db2.gz BOIQFCHYQVRTGB-GJZGRUSLSA-N 2 1 299.418 3.463 20 0 CGADMP CCC1(CC)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444623282 373215195 /nfs/dbraw/zinc/21/51/95/373215195.db2.gz XYIIIYSBCLMIGM-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000444634401 373216876 /nfs/dbraw/zinc/21/68/76/373216876.db2.gz ALPUEDHJZRDELI-INIZCTEOSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccccc1CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000444634401 373216886 /nfs/dbraw/zinc/21/68/86/373216886.db2.gz ALPUEDHJZRDELI-INIZCTEOSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccccc1CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000444634401 373216898 /nfs/dbraw/zinc/21/68/98/373216898.db2.gz ALPUEDHJZRDELI-INIZCTEOSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccccc1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000444651418 373220770 /nfs/dbraw/zinc/22/07/70/373220770.db2.gz GLDJSHSAZDZGTF-KRWDZBQOSA-N 2 1 286.463 3.209 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2CC)C1 ZINC000444652739 373222586 /nfs/dbraw/zinc/22/25/86/373222586.db2.gz SKIRUVSWTFGAHR-KRWDZBQOSA-N 2 1 288.479 3.455 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccc2CC)C1 ZINC000444652739 373222592 /nfs/dbraw/zinc/22/25/92/373222592.db2.gz SKIRUVSWTFGAHR-KRWDZBQOSA-N 2 1 288.479 3.455 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccc2CC)C1 ZINC000444652739 373222596 /nfs/dbraw/zinc/22/25/96/373222596.db2.gz SKIRUVSWTFGAHR-KRWDZBQOSA-N 2 1 288.479 3.455 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000353576704 220166206 /nfs/dbraw/zinc/16/62/06/220166206.db2.gz ODGNTGJYUSLLJH-NFOMZHRRSA-N 2 1 278.415 3.390 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000353576704 220166210 /nfs/dbraw/zinc/16/62/10/220166210.db2.gz ODGNTGJYUSLLJH-NFOMZHRRSA-N 2 1 278.415 3.390 20 0 CGADMP C[C@@H]1CCC[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000444570205 373203630 /nfs/dbraw/zinc/20/36/30/373203630.db2.gz HHMGTGPKPLFGKF-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000296644229 373206848 /nfs/dbraw/zinc/20/68/48/373206848.db2.gz CZPMMMJYJAHFHO-AWEZNQCLSA-N 2 1 250.411 3.051 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000444693874 373238906 /nfs/dbraw/zinc/23/89/06/373238906.db2.gz ATAMOUDNKSTFNA-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)c1 ZINC000444693874 373238914 /nfs/dbraw/zinc/23/89/14/373238914.db2.gz ATAMOUDNKSTFNA-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)c1 ZINC000444693874 373238919 /nfs/dbraw/zinc/23/89/19/373238919.db2.gz ATAMOUDNKSTFNA-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000300404905 373625659 /nfs/dbraw/zinc/62/56/59/373625659.db2.gz HLDQCROQFNKZIR-CVEARBPZSA-N 2 1 262.441 3.328 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000300404905 373625665 /nfs/dbraw/zinc/62/56/65/373625665.db2.gz HLDQCROQFNKZIR-CVEARBPZSA-N 2 1 262.441 3.328 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000300454404 373636259 /nfs/dbraw/zinc/63/62/59/373636259.db2.gz ONJFPVVHLYCPLE-AEFFLSMTSA-N 2 1 274.452 3.358 20 0 CGADMP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc[nH+]cc1Cl ZINC000176939865 373643344 /nfs/dbraw/zinc/64/33/44/373643344.db2.gz CFZIUSIJXKKLOI-GFCCVEGCSA-N 2 1 267.804 3.046 20 0 CGADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc[nH+]cc1Cl ZINC000176939865 373643355 /nfs/dbraw/zinc/64/33/55/373643355.db2.gz CFZIUSIJXKKLOI-GFCCVEGCSA-N 2 1 267.804 3.046 20 0 CGADMP CC[C@H]1CCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449433770 373711275 /nfs/dbraw/zinc/71/12/75/373711275.db2.gz NSVOPSLIGKTHSU-STQMWFEESA-N 2 1 281.469 3.121 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449443949 373719873 /nfs/dbraw/zinc/71/98/73/373719873.db2.gz XCXVQNQGQBRSAR-ZDUSSCGKSA-N 2 1 281.469 3.429 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1(C)CC1 ZINC000177969640 373730040 /nfs/dbraw/zinc/73/00/40/373730040.db2.gz KABCPRCOCLRELW-INIZCTEOSA-N 2 1 286.463 3.472 20 0 CGADMP CC/C=C/C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449451868 373734746 /nfs/dbraw/zinc/73/47/46/373734746.db2.gz DQSICBUBBVPWMU-LOGPRUAHSA-N 2 1 272.436 3.453 20 0 CGADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000449646860 373838920 /nfs/dbraw/zinc/83/89/20/373838920.db2.gz CICWQHBYCFERTN-BQFCYCMXSA-N 2 1 299.462 3.174 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1C ZINC000178974900 373822316 /nfs/dbraw/zinc/82/23/16/373822316.db2.gz NJYZUORNLRUORG-GOSISDBHSA-N 2 1 272.436 3.440 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000070325703 541892254 /nfs/dbraw/zinc/89/22/54/541892254.db2.gz CQYUPSBGHKXYAL-ROUUACIJSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000302566894 373898533 /nfs/dbraw/zinc/89/85/33/373898533.db2.gz NOXBIVHUTQHORI-OAHLLOKOSA-N 2 1 269.392 3.322 20 0 CGADMP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353676276 220246192 /nfs/dbraw/zinc/24/61/92/220246192.db2.gz WKNJZWWJCZHDEF-NHHFINERSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCCCO)CC1 ZINC000305072812 374064519 /nfs/dbraw/zinc/06/45/19/374064519.db2.gz MEZFAQMFMSYMCE-KRWDZBQOSA-N 2 1 296.499 3.126 20 0 CGADMP CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc[nH+]1 ZINC000450366326 374084313 /nfs/dbraw/zinc/08/43/13/374084313.db2.gz UHAHAQDXBVZMMC-WBVHZDCISA-N 2 1 273.424 3.096 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC000450466230 374148220 /nfs/dbraw/zinc/14/82/20/374148220.db2.gz IGOBIJKIEPFSMC-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CNC1c2ccccc2-c2ccccc21 ZINC000182589069 374293975 /nfs/dbraw/zinc/29/39/75/374293975.db2.gz CAVVBSGHDJAEGQ-CQSZACIVSA-N 2 1 278.399 3.440 20 0 CGADMP C[N@H+]1CCC[C@@H]1CNC1c2ccccc2-c2ccccc21 ZINC000182589069 374293979 /nfs/dbraw/zinc/29/39/79/374293979.db2.gz CAVVBSGHDJAEGQ-CQSZACIVSA-N 2 1 278.399 3.440 20 0 CGADMP C([NH2+][C@@H]1CCCC12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000328095157 374360999 /nfs/dbraw/zinc/36/09/99/374360999.db2.gz JNXRYFKUMOHWHQ-GOEBONIOSA-N 2 1 262.441 3.173 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000453247725 374371404 /nfs/dbraw/zinc/37/14/04/374371404.db2.gz FAGQALSEVWWNHF-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H](C2CC2)C2CCCC2)CCCO1 ZINC000453218043 374371866 /nfs/dbraw/zinc/37/18/66/374371866.db2.gz RWLBUMLFQCFOPW-MAUKXSAKSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](C2CC2)C2CCCC2)CCCO1 ZINC000453218043 374371874 /nfs/dbraw/zinc/37/18/74/374371874.db2.gz RWLBUMLFQCFOPW-MAUKXSAKSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c(C)c1 ZINC000453260326 374376519 /nfs/dbraw/zinc/37/65/19/374376519.db2.gz XTWANPHYRCVMKF-DLBZAZTESA-N 2 1 286.463 3.407 20 0 CGADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cn1 ZINC000453357090 374446251 /nfs/dbraw/zinc/44/62/51/374446251.db2.gz PMTHXDDSAFJNHJ-BTFYYFJDSA-N 2 1 291.414 3.133 20 0 CGADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cn1 ZINC000453357090 374446254 /nfs/dbraw/zinc/44/62/54/374446254.db2.gz PMTHXDDSAFJNHJ-BTFYYFJDSA-N 2 1 291.414 3.133 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000453404142 374473190 /nfs/dbraw/zinc/47/31/90/374473190.db2.gz PAMFONXAIYCQGS-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP FC(F)(F)[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000088432620 541948556 /nfs/dbraw/zinc/94/85/56/541948556.db2.gz JKFHTCNALQSRMG-CYBMUJFWSA-N 2 1 278.362 3.041 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCSCC2)C[C@@H]1c1ccccc1 ZINC000334220494 206212045 /nfs/dbraw/zinc/21/20/45/206212045.db2.gz RRBPIJVOFRPQRM-DLBZAZTESA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCSCC2)C[C@@H]1c1ccccc1 ZINC000334220494 206212048 /nfs/dbraw/zinc/21/20/48/206212048.db2.gz RRBPIJVOFRPQRM-DLBZAZTESA-N 2 1 290.476 3.307 20 0 CGADMP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000333630653 374612739 /nfs/dbraw/zinc/61/27/39/374612739.db2.gz VRERSWYJQBDZIU-UPJWGTAASA-N 2 1 292.427 3.122 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000334222534 374660338 /nfs/dbraw/zinc/66/03/38/374660338.db2.gz VPKDVOMROJBMGB-FQXVJMBOSA-N 2 1 272.436 3.037 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000334222534 374660344 /nfs/dbraw/zinc/66/03/44/374660344.db2.gz VPKDVOMROJBMGB-FQXVJMBOSA-N 2 1 272.436 3.037 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185635695 374701971 /nfs/dbraw/zinc/70/19/71/374701971.db2.gz FVEXUBMOURCDTN-PBHICJAKSA-N 2 1 299.418 3.126 20 0 CGADMP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666655 374707994 /nfs/dbraw/zinc/70/79/94/374707994.db2.gz XRSCQMAQZAZVNB-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528220 541987325 /nfs/dbraw/zinc/98/73/25/541987325.db2.gz GWAGZXQAVXMWGB-CXAGYDPISA-N 2 1 258.409 3.266 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528220 541987328 /nfs/dbraw/zinc/98/73/28/541987328.db2.gz GWAGZXQAVXMWGB-CXAGYDPISA-N 2 1 258.409 3.266 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cs1 ZINC000334629804 374922809 /nfs/dbraw/zinc/92/28/09/374922809.db2.gz WTBHEJOCHNQJQY-UHFFFAOYSA-N 2 1 264.438 3.117 20 0 CGADMP C[C@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)[C@H](C)C2)C[C@@H]1C ZINC000464850332 374910970 /nfs/dbraw/zinc/91/09/70/374910970.db2.gz OVRMKPLPARJGDI-LUKYLMHMSA-N 2 1 266.473 3.332 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000252875202 189984617 /nfs/dbraw/zinc/98/46/17/189984617.db2.gz VNZVBHVIHVMEOM-SZMVWBNQSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1F ZINC000335023404 375077460 /nfs/dbraw/zinc/07/74/60/375077460.db2.gz IGAHOJREGMTUBH-IAGOWNOFSA-N 2 1 270.351 3.369 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187723980 375081092 /nfs/dbraw/zinc/08/10/92/375081092.db2.gz VGVMTWMCQMWAMM-HNNXBMFYSA-N 2 1 275.440 3.418 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000474354083 375099830 /nfs/dbraw/zinc/09/98/30/375099830.db2.gz ONNIPCWJBAEMLJ-ZDUSSCGKSA-N 2 1 280.843 3.334 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000474354083 375099834 /nfs/dbraw/zinc/09/98/34/375099834.db2.gz ONNIPCWJBAEMLJ-ZDUSSCGKSA-N 2 1 280.843 3.334 20 0 CGADMP COC[C@@H](C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000187939856 375122398 /nfs/dbraw/zinc/12/23/98/375122398.db2.gz ZLEXXFTVOKQNJJ-HOTGVXAUSA-N 2 1 290.451 3.084 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000486978192 375199689 /nfs/dbraw/zinc/19/96/89/375199689.db2.gz YPWOQBLUJDZSCD-CBBWQLFWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000486978192 375199695 /nfs/dbraw/zinc/19/96/95/375199695.db2.gz YPWOQBLUJDZSCD-CBBWQLFWSA-N 2 1 252.446 3.131 20 0 CGADMP CCc1ccccc1C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000189051592 375315714 /nfs/dbraw/zinc/31/57/14/375315714.db2.gz VEMDXUXUZSEWCP-MRXNPFEDSA-N 2 1 274.452 3.413 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3cccnc31)CC[NH2+]CC2 ZINC000335281270 375258571 /nfs/dbraw/zinc/25/85/71/375258571.db2.gz OGRLFJMKBZYPLM-OAHLLOKOSA-N 2 1 295.430 3.199 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CSC)c2)[C@H](C)C1 ZINC000188724343 375260950 /nfs/dbraw/zinc/26/09/50/375260950.db2.gz GUKDERKZKFWKNK-PBHICJAKSA-N 2 1 292.492 3.370 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000189565492 375412785 /nfs/dbraw/zinc/41/27/85/375412785.db2.gz YONOIXFXBSVUEZ-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000189565492 375412795 /nfs/dbraw/zinc/41/27/95/375412795.db2.gz YONOIXFXBSVUEZ-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000189565492 375412801 /nfs/dbraw/zinc/41/28/01/375412801.db2.gz YONOIXFXBSVUEZ-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)cc1 ZINC000191060770 375570091 /nfs/dbraw/zinc/57/00/91/375570091.db2.gz AOBYTWYBLPGSLH-SUNYJGFJSA-N 2 1 299.418 3.399 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)C[NH+]1CCCC1 ZINC000121100756 542015183 /nfs/dbraw/zinc/01/51/83/542015183.db2.gz GJAXXDUJIKQDJM-SJCJKPOMSA-N 2 1 294.389 3.274 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000124015556 542030442 /nfs/dbraw/zinc/03/04/42/542030442.db2.gz RAZINHMLOOVMJD-CZUORRHYSA-N 2 1 258.409 3.095 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179859 375753567 /nfs/dbraw/zinc/75/35/67/375753567.db2.gz JQNOLXSFKOBDSD-YVEFUNNKSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179859 375753573 /nfs/dbraw/zinc/75/35/73/375753573.db2.gz JQNOLXSFKOBDSD-YVEFUNNKSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179859 375753578 /nfs/dbraw/zinc/75/35/78/375753578.db2.gz JQNOLXSFKOBDSD-YVEFUNNKSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179859 375753583 /nfs/dbraw/zinc/75/35/83/375753583.db2.gz JQNOLXSFKOBDSD-YVEFUNNKSA-N 2 1 289.398 3.079 20 0 CGADMP Cc1cccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c[nH]c21 ZINC000192897170 375799216 /nfs/dbraw/zinc/79/92/16/375799216.db2.gz LVXPNMDHUMFISK-ALOPSCKCSA-N 2 1 297.446 3.234 20 0 CGADMP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918460 375802754 /nfs/dbraw/zinc/80/27/54/375802754.db2.gz VDHMGTHIOQZQTQ-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1coc2ccccc12 ZINC000336396702 375788491 /nfs/dbraw/zinc/78/84/91/375788491.db2.gz USWLPVOAZSMZCV-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1coc2ccccc12 ZINC000336396702 375788494 /nfs/dbraw/zinc/78/84/94/375788494.db2.gz USWLPVOAZSMZCV-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1coc2ccccc12 ZINC000336396702 375788500 /nfs/dbraw/zinc/78/85/00/375788500.db2.gz USWLPVOAZSMZCV-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1coc2ccccc12 ZINC000336396702 375788505 /nfs/dbraw/zinc/78/85/05/375788505.db2.gz USWLPVOAZSMZCV-CZUORRHYSA-N 2 1 272.392 3.205 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000131369083 542070287 /nfs/dbraw/zinc/07/02/87/542070287.db2.gz STTWAAKSLLRSKK-WMZOPIPTSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654625 375895902 /nfs/dbraw/zinc/89/59/02/375895902.db2.gz CTGZYGATCNJENT-FZCLSBEQSA-N 2 1 272.436 3.285 20 0 CGADMP C(CC[N@H+]1CC[C@@H](C2CC2)C1)C[NH+]1CC[C@H](C2CC2)C1 ZINC000534278049 375966007 /nfs/dbraw/zinc/96/60/07/375966007.db2.gz WBLKICJHOUIKTP-HDICACEKSA-N 2 1 276.468 3.230 20 0 CGADMP C(CC[N@@H+]1CC[C@H](C2CC2)C1)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000534278049 375966013 /nfs/dbraw/zinc/96/60/13/375966013.db2.gz WBLKICJHOUIKTP-HDICACEKSA-N 2 1 276.468 3.230 20 0 CGADMP C(CC[N@H+]1CC[C@H](C2CC2)C1)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000534278049 375966020 /nfs/dbraw/zinc/96/60/20/375966020.db2.gz WBLKICJHOUIKTP-HDICACEKSA-N 2 1 276.468 3.230 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCc2ccccc21 ZINC000535051056 376016834 /nfs/dbraw/zinc/01/68/34/376016834.db2.gz UDQWKFUUKFCVII-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000535051056 376016840 /nfs/dbraw/zinc/01/68/40/376016840.db2.gz UDQWKFUUKFCVII-SJLPKXTDSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000336830029 375991092 /nfs/dbraw/zinc/99/10/92/375991092.db2.gz BCNGLLJOUJKRBA-MAUKXSAKSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000195136554 376082190 /nfs/dbraw/zinc/08/21/90/376082190.db2.gz NZFHEIXVHNJLOF-NVXWUHKLSA-N 2 1 284.403 3.452 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000195136554 376082193 /nfs/dbraw/zinc/08/21/93/376082193.db2.gz NZFHEIXVHNJLOF-NVXWUHKLSA-N 2 1 284.403 3.452 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000536858984 376136735 /nfs/dbraw/zinc/13/67/35/376136735.db2.gz SHQFSVHOIKRYBS-BBWFWOEESA-N 2 1 296.499 3.434 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000537619490 376183395 /nfs/dbraw/zinc/18/33/95/376183395.db2.gz FUAAJCGOLWXDKH-UHOSZYNNSA-N 2 1 286.463 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000537619490 376183398 /nfs/dbraw/zinc/18/33/98/376183398.db2.gz FUAAJCGOLWXDKH-UHOSZYNNSA-N 2 1 286.463 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000537619490 376183399 /nfs/dbraw/zinc/18/33/99/376183399.db2.gz FUAAJCGOLWXDKH-UHOSZYNNSA-N 2 1 286.463 3.454 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000337189441 376125156 /nfs/dbraw/zinc/12/51/56/376125156.db2.gz RNVYWFUAXQXNQL-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000337189441 376125161 /nfs/dbraw/zinc/12/51/61/376125161.db2.gz RNVYWFUAXQXNQL-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000337189441 376125163 /nfs/dbraw/zinc/12/51/63/376125163.db2.gz RNVYWFUAXQXNQL-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000337189441 376125166 /nfs/dbraw/zinc/12/51/66/376125166.db2.gz RNVYWFUAXQXNQL-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000221277387 376214018 /nfs/dbraw/zinc/21/40/18/376214018.db2.gz FLUOHOSPQODXNT-RYUDHWBXSA-N 2 1 286.341 3.308 20 0 CGADMP Cc1nc(C)c([C@@H](C)NCCC[N@H+](C)C(C)C)s1 ZINC000221919326 376224149 /nfs/dbraw/zinc/22/41/49/376224149.db2.gz QLXZQHOBAHTIAV-LLVKDONJSA-N 2 1 269.458 3.141 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)s1 ZINC000221919326 376224150 /nfs/dbraw/zinc/22/41/50/376224150.db2.gz QLXZQHOBAHTIAV-LLVKDONJSA-N 2 1 269.458 3.141 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)s1 ZINC000221919326 376224156 /nfs/dbraw/zinc/22/41/56/376224156.db2.gz QLXZQHOBAHTIAV-LLVKDONJSA-N 2 1 269.458 3.141 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000338341120 376338166 /nfs/dbraw/zinc/33/81/66/376338166.db2.gz JITKSYYMKAHMEW-AWEZNQCLSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000338341120 376338173 /nfs/dbraw/zinc/33/81/73/376338173.db2.gz JITKSYYMKAHMEW-AWEZNQCLSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)[C@@H](C)C1 ZINC000226183755 376342556 /nfs/dbraw/zinc/34/25/56/376342556.db2.gz FCUKNCHNSWTLBF-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000226313048 376349567 /nfs/dbraw/zinc/34/95/67/376349567.db2.gz DAXIHXZFSLTAHI-INIZCTEOSA-N 2 1 262.441 3.328 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(F)c1 ZINC000338266196 376303357 /nfs/dbraw/zinc/30/33/57/376303357.db2.gz NDAYXZRXDCIHTK-UHFFFAOYSA-N 2 1 266.404 3.380 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(F)c1 ZINC000338266196 376303361 /nfs/dbraw/zinc/30/33/61/376303361.db2.gz NDAYXZRXDCIHTK-UHFFFAOYSA-N 2 1 266.404 3.380 20 0 CGADMP CCC[C@@H](C)[NH+](C)CC1(C[N@H+](C)[C@H](C)CCC)COC1 ZINC000541070054 376418088 /nfs/dbraw/zinc/41/80/88/376418088.db2.gz DNHXNAZAHIEGPL-HZPDHXFCSA-N 2 1 284.488 3.244 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCOC(C)C)CC1)CC1CC1 ZINC000540046993 376354332 /nfs/dbraw/zinc/35/43/32/376354332.db2.gz KJLGHJVXPHIKCC-UHFFFAOYSA-N 2 1 296.499 3.245 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000226918678 376375796 /nfs/dbraw/zinc/37/57/96/376375796.db2.gz KVCFFHFJCREFSL-DYVFJYSZSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228283282 376432347 /nfs/dbraw/zinc/43/23/47/376432347.db2.gz QAFZHECUJZJBBS-JSGCOSHPSA-N 2 1 272.392 3.314 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228283282 376432350 /nfs/dbraw/zinc/43/23/50/376432350.db2.gz QAFZHECUJZJBBS-JSGCOSHPSA-N 2 1 272.392 3.314 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230408921 376514543 /nfs/dbraw/zinc/51/45/43/376514543.db2.gz UWEFXGUTBJLKLR-UWVGGRQHSA-N 2 1 260.834 3.392 20 0 CGADMP CCC(CC)(CC)C[NH2+]CCCn1cc[nH+]c1C ZINC000338957479 376600754 /nfs/dbraw/zinc/60/07/54/376600754.db2.gz FXLXELNISDCQAZ-UHFFFAOYSA-N 2 1 251.418 3.388 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3sccc3[C@@H]2C)CC[NH2+]1 ZINC000235413804 376639386 /nfs/dbraw/zinc/63/93/86/376639386.db2.gz GWOJVAAABPZXCQ-AGIUHOORSA-N 2 1 264.438 3.055 20 0 CGADMP CCC1(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CCOCC1 ZINC000543758978 376675463 /nfs/dbraw/zinc/67/54/63/376675463.db2.gz XZGMFISCAZGIOW-UHFFFAOYSA-N 2 1 296.499 3.245 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C[C@H]1CC=CCC1)C2 ZINC000236711113 376685564 /nfs/dbraw/zinc/68/55/64/376685564.db2.gz VGDPPEMCJUBYEE-KRWDZBQOSA-N 2 1 284.447 3.381 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C[C@H]1CC=CCC1)C2 ZINC000236711113 376685567 /nfs/dbraw/zinc/68/55/67/376685567.db2.gz VGDPPEMCJUBYEE-KRWDZBQOSA-N 2 1 284.447 3.381 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000237625805 376753841 /nfs/dbraw/zinc/75/38/41/376753841.db2.gz AZDLHNHGQBUYJR-UHFFFAOYSA-N 2 1 282.391 3.243 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000339680780 376807117 /nfs/dbraw/zinc/80/71/17/376807117.db2.gz JHVVSBNZRQNEPL-ZDUSSCGKSA-N 2 1 266.454 3.401 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000245547217 376849572 /nfs/dbraw/zinc/84/95/72/376849572.db2.gz XGUYGCYPRBEGMD-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000245547217 376849576 /nfs/dbraw/zinc/84/95/76/376849576.db2.gz XGUYGCYPRBEGMD-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245692281 376880918 /nfs/dbraw/zinc/88/09/18/376880918.db2.gz BRGVMNLWLDZNAD-WMLDXEAASA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245692281 376880929 /nfs/dbraw/zinc/88/09/29/376880929.db2.gz BRGVMNLWLDZNAD-WMLDXEAASA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245692281 376880937 /nfs/dbraw/zinc/88/09/37/376880937.db2.gz BRGVMNLWLDZNAD-WMLDXEAASA-N 2 1 278.415 3.296 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000556934113 376908552 /nfs/dbraw/zinc/90/85/52/376908552.db2.gz SHDWFIIMOZVPIQ-SZMVWBNQSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000556934113 376908558 /nfs/dbraw/zinc/90/85/58/376908558.db2.gz SHDWFIIMOZVPIQ-SZMVWBNQSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000556934113 376908565 /nfs/dbraw/zinc/90/85/65/376908565.db2.gz SHDWFIIMOZVPIQ-SZMVWBNQSA-N 2 1 276.468 3.397 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000556943383 376908614 /nfs/dbraw/zinc/90/86/14/376908614.db2.gz QGCPZMAXASTUQN-XYJFISCASA-N 2 1 272.436 3.172 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000557083942 376922053 /nfs/dbraw/zinc/92/20/53/376922053.db2.gz KBCZGWFBZVASEO-KRWDZBQOSA-N 2 1 298.515 3.491 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000245884514 376925317 /nfs/dbraw/zinc/92/53/17/376925317.db2.gz LIXYJOLWKGNGDT-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000245884514 376925322 /nfs/dbraw/zinc/92/53/22/376925322.db2.gz LIXYJOLWKGNGDT-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@@H]1CC ZINC000340145387 376929108 /nfs/dbraw/zinc/92/91/08/376929108.db2.gz IWKJCUKVKNCUJU-HNXFAEETSA-N 2 1 250.430 3.291 20 0 CGADMP CC[C@@H]1CCC[N@H+]1C/C=C\C[NH+]1CCC[C@@H]1CC ZINC000340145387 376929115 /nfs/dbraw/zinc/92/91/15/376929115.db2.gz IWKJCUKVKNCUJU-HNXFAEETSA-N 2 1 250.430 3.291 20 0 CGADMP CC[C@@H]1CCC[N@@H+]1C/C=C\C[NH+]1CCC[C@@H]1CC ZINC000340145387 376929125 /nfs/dbraw/zinc/92/91/25/376929125.db2.gz IWKJCUKVKNCUJU-HNXFAEETSA-N 2 1 250.430 3.291 20 0 CGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246159939 376978032 /nfs/dbraw/zinc/97/80/32/376978032.db2.gz DDJPYYFJBPQHCD-SJLPKXTDSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@@H](C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246159939 376978036 /nfs/dbraw/zinc/97/80/36/376978036.db2.gz DDJPYYFJBPQHCD-SJLPKXTDSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@@H](C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246159939 376978039 /nfs/dbraw/zinc/97/80/39/376978039.db2.gz DDJPYYFJBPQHCD-SJLPKXTDSA-N 2 1 274.452 3.486 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000246046869 376956252 /nfs/dbraw/zinc/95/62/52/376956252.db2.gz XRYFCPHCBKXVPO-IIDMSEBBSA-N 2 1 272.436 3.160 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246071017 376960918 /nfs/dbraw/zinc/96/09/18/376960918.db2.gz ZYHBHUPAGYIHPP-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246071017 376960926 /nfs/dbraw/zinc/96/09/26/376960926.db2.gz ZYHBHUPAGYIHPP-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246071017 376960938 /nfs/dbraw/zinc/96/09/38/376960938.db2.gz ZYHBHUPAGYIHPP-YOEHRIQHSA-N 2 1 276.399 3.050 20 0 CGADMP COc1c(C)cc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1C ZINC000340371473 377025886 /nfs/dbraw/zinc/02/58/86/377025886.db2.gz MJWPLRISRSFZGZ-KRWDZBQOSA-N 2 1 290.451 3.228 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1C ZINC000340371473 377025889 /nfs/dbraw/zinc/02/58/89/377025889.db2.gz MJWPLRISRSFZGZ-KRWDZBQOSA-N 2 1 290.451 3.228 20 0 CGADMP COc1c(C)cc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1C ZINC000340371473 377025894 /nfs/dbraw/zinc/02/58/94/377025894.db2.gz MJWPLRISRSFZGZ-KRWDZBQOSA-N 2 1 290.451 3.228 20 0 CGADMP COc1c(C)cc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1C ZINC000340371473 377025895 /nfs/dbraw/zinc/02/58/95/377025895.db2.gz MJWPLRISRSFZGZ-KRWDZBQOSA-N 2 1 290.451 3.228 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246555854 377052303 /nfs/dbraw/zinc/05/23/03/377052303.db2.gz WTSSXGUCNCBEAR-HRCADAONSA-N 2 1 254.462 3.379 20 0 CGADMP COc1cccc([C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246471916 377037531 /nfs/dbraw/zinc/03/75/31/377037531.db2.gz GXQLLHKPHNIPGT-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246471916 377037539 /nfs/dbraw/zinc/03/75/39/377037539.db2.gz GXQLLHKPHNIPGT-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000246471916 377037548 /nfs/dbraw/zinc/03/75/48/377037548.db2.gz GXQLLHKPHNIPGT-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000246471916 377037560 /nfs/dbraw/zinc/03/75/60/377037560.db2.gz GXQLLHKPHNIPGT-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000558220321 376986672 /nfs/dbraw/zinc/98/66/72/376986672.db2.gz NUAXHXJWAORYPK-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000558220321 376986675 /nfs/dbraw/zinc/98/66/75/376986675.db2.gz NUAXHXJWAORYPK-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP COCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246294996 377005815 /nfs/dbraw/zinc/00/58/15/377005815.db2.gz DPNMGXCBLBMYIY-ROUUACIJSA-N 2 1 296.499 3.390 20 0 CGADMP COCCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246294996 377005821 /nfs/dbraw/zinc/00/58/21/377005821.db2.gz DPNMGXCBLBMYIY-ROUUACIJSA-N 2 1 296.499 3.390 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCc2nc(C)cs2)[C@@H](C)C1 ZINC000246881169 377110830 /nfs/dbraw/zinc/11/08/30/377110830.db2.gz DAKBPLZLBWTDPV-ZFWWWQNUSA-N 2 1 295.496 3.094 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1C ZINC000246594508 377057529 /nfs/dbraw/zinc/05/75/29/377057529.db2.gz ZRMXOJFHEYAFHJ-YESZJQIVSA-N 2 1 290.451 3.225 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2OC)C1 ZINC000246932416 377122823 /nfs/dbraw/zinc/12/28/23/377122823.db2.gz HFCLPQJYFFJURY-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2OC)C1 ZINC000246932416 377122831 /nfs/dbraw/zinc/12/28/31/377122831.db2.gz HFCLPQJYFFJURY-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000340453984 377067493 /nfs/dbraw/zinc/06/74/93/377067493.db2.gz SSSBPILBOPBSFK-IKGGRYGDSA-N 2 1 284.403 3.395 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000340457968 377070139 /nfs/dbraw/zinc/07/01/39/377070139.db2.gz FFLFQGXBDRAJOG-YQQAZPJKSA-N 2 1 278.415 3.235 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000340457967 377070433 /nfs/dbraw/zinc/07/04/33/377070433.db2.gz FFLFQGXBDRAJOG-VYDXJSESSA-N 2 1 278.415 3.235 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768511 377084553 /nfs/dbraw/zinc/08/45/53/377084553.db2.gz QJIUNUJISQWLOK-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768511 377084561 /nfs/dbraw/zinc/08/45/61/377084561.db2.gz QJIUNUJISQWLOK-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768511 377084566 /nfs/dbraw/zinc/08/45/66/377084566.db2.gz QJIUNUJISQWLOK-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000559765758 377097055 /nfs/dbraw/zinc/09/70/55/377097055.db2.gz AUTRIAYISXFJBE-FGTMMUONSA-N 2 1 290.451 3.083 20 0 CGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)C ZINC000559765758 377097056 /nfs/dbraw/zinc/09/70/56/377097056.db2.gz AUTRIAYISXFJBE-FGTMMUONSA-N 2 1 290.451 3.083 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccccc2OC)C1 ZINC000247053168 377149619 /nfs/dbraw/zinc/14/96/19/377149619.db2.gz NJNBUCJNKRKXGR-DOTOQJQBSA-N 2 1 290.451 3.468 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000560514063 377161212 /nfs/dbraw/zinc/16/12/12/377161212.db2.gz CPCVENUBKIXCQA-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCCC2)C1 ZINC000247132315 377165651 /nfs/dbraw/zinc/16/56/51/377165651.db2.gz VOTOTXDTYQOYTP-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000247207977 377176242 /nfs/dbraw/zinc/17/62/42/377176242.db2.gz UXKZKJZCJBYGBT-WFASDCNBSA-N 2 1 298.377 3.108 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000340675625 377209209 /nfs/dbraw/zinc/20/92/09/377209209.db2.gz IWXCXHZMRYWUJQ-QGZVFWFLSA-N 2 1 286.463 3.331 20 0 CGADMP COC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000247474942 377209446 /nfs/dbraw/zinc/20/94/46/377209446.db2.gz SXFPEXSZPRFNTP-JKSUJKDBSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000248012321 377258741 /nfs/dbraw/zinc/25/87/41/377258741.db2.gz LJZGFVNQYYRWDB-SOLBZPMBSA-N 2 1 274.452 3.164 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000248449805 377322208 /nfs/dbraw/zinc/32/22/08/377322208.db2.gz FGAFGBZLGGSOHZ-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP COc1cc(Cl)ccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000248120240 377270431 /nfs/dbraw/zinc/27/04/31/377270431.db2.gz NGJVJOYACUGXJP-YWPYICTPSA-N 2 1 296.842 3.167 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000248120240 377270439 /nfs/dbraw/zinc/27/04/39/377270439.db2.gz NGJVJOYACUGXJP-YWPYICTPSA-N 2 1 296.842 3.167 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000248120240 377270445 /nfs/dbraw/zinc/27/04/45/377270445.db2.gz NGJVJOYACUGXJP-YWPYICTPSA-N 2 1 296.842 3.167 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248716353 377387336 /nfs/dbraw/zinc/38/73/36/377387336.db2.gz BWQUZRONXHNNEN-FVQBIDKESA-N 2 1 293.455 3.009 20 0 CGADMP CCO[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000248878363 377417532 /nfs/dbraw/zinc/41/75/32/377417532.db2.gz KAHVDEYULQHPJM-RYQLBKOJSA-N 2 1 290.451 3.084 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CSC)c2)[C@@H](C)C1 ZINC000249179018 377474723 /nfs/dbraw/zinc/47/47/23/377474723.db2.gz GUKDERKZKFWKNK-WMLDXEAASA-N 2 1 292.492 3.370 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000037644375 249002687 /nfs/dbraw/zinc/00/26/87/249002687.db2.gz TVUMKXWCONIDAS-WLYUNCDWSA-N 2 1 276.399 3.003 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000166739272 542175453 /nfs/dbraw/zinc/17/54/53/542175453.db2.gz AMBQDOVDUFUROC-BPLDGKMQSA-N 2 1 294.389 3.285 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000249737903 377527404 /nfs/dbraw/zinc/52/74/04/377527404.db2.gz HEEZPRQRBRSBDB-DOMZBBRYSA-N 2 1 294.439 3.294 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000249737903 377527409 /nfs/dbraw/zinc/52/74/09/377527409.db2.gz HEEZPRQRBRSBDB-DOMZBBRYSA-N 2 1 294.439 3.294 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000470012234 249165627 /nfs/dbraw/zinc/16/56/27/249165627.db2.gz FUYQAUQQCHVYLW-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000470012234 249165629 /nfs/dbraw/zinc/16/56/29/249165629.db2.gz FUYQAUQQCHVYLW-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP Fc1ccc(C2([NH2+]C[C@H]3CCC[NH2+]C3)CCCC2)c(F)c1 ZINC000469979240 249164694 /nfs/dbraw/zinc/16/46/94/249164694.db2.gz SZMZJWFKBQDNPW-ZDUSSCGKSA-N 2 1 294.389 3.323 20 0 CGADMP CC[C@H]1C[N@H+](CC(C)(C)N)CC[C@@H]1c1ccccc1 ZINC000469987880 249165156 /nfs/dbraw/zinc/16/51/56/249165156.db2.gz XOUWPGFYOAQDTF-HOCLYGCPSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@H]1C[N@@H+](CC(C)(C)N)CC[C@@H]1c1ccccc1 ZINC000469987880 249165157 /nfs/dbraw/zinc/16/51/57/249165157.db2.gz XOUWPGFYOAQDTF-HOCLYGCPSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)C1 ZINC000516215314 249229064 /nfs/dbraw/zinc/22/90/64/249229064.db2.gz PBXGIADDNVUNSB-RNIPGJKVSA-N 2 1 286.463 3.499 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000251555429 377588901 /nfs/dbraw/zinc/58/89/01/377588901.db2.gz ACHNCJUBTQSSJN-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC000252101636 377615515 /nfs/dbraw/zinc/61/55/15/377615515.db2.gz GIRLTQYKKFEXOH-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000251946483 377607345 /nfs/dbraw/zinc/60/73/45/377607345.db2.gz WKQHSYRVVUZZFO-SUJAAXHWSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253199662 377680109 /nfs/dbraw/zinc/68/01/09/377680109.db2.gz WOLWMBAXTNVAAY-DUVNUKRYSA-N 2 1 264.388 3.194 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC3(C)C)CCCC2)CC1 ZINC000342692133 377736735 /nfs/dbraw/zinc/73/67/35/377736735.db2.gz XVZNOPVBPBQIQJ-INIZCTEOSA-N 2 1 294.483 3.188 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000575242594 377764795 /nfs/dbraw/zinc/76/47/95/377764795.db2.gz XPVDCFXCZODYOX-ZDUSSCGKSA-N 2 1 286.366 3.328 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000342811491 377812066 /nfs/dbraw/zinc/81/20/66/377812066.db2.gz UQRRMNVIPRDNHG-OCCSQVGLSA-N 2 1 296.842 3.311 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000342811491 377812075 /nfs/dbraw/zinc/81/20/75/377812075.db2.gz UQRRMNVIPRDNHG-OCCSQVGLSA-N 2 1 296.842 3.311 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000261574746 377820823 /nfs/dbraw/zinc/82/08/23/377820823.db2.gz XPNOXJNJGWAFNA-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261576510 377821068 /nfs/dbraw/zinc/82/10/68/377821068.db2.gz CEPAGLBWEUTXDZ-SWLSCSKDSA-N 2 1 272.417 3.085 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000261607295 377826835 /nfs/dbraw/zinc/82/68/35/377826835.db2.gz RQXALFPAIWXFSF-QWHCGFSZSA-N 2 1 278.465 3.087 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000261607295 377826850 /nfs/dbraw/zinc/82/68/50/377826850.db2.gz RQXALFPAIWXFSF-QWHCGFSZSA-N 2 1 278.465 3.087 20 0 CGADMP Cc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261625718 377827960 /nfs/dbraw/zinc/82/79/60/377827960.db2.gz DLQPEPJEXSIJSL-MOPGFXCFSA-N 2 1 280.415 3.169 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CCCCC2 ZINC000261648416 377833200 /nfs/dbraw/zinc/83/32/00/377833200.db2.gz AWUPHXBUQADUJL-HZPDHXFCSA-N 2 1 264.457 3.278 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261652337 377833278 /nfs/dbraw/zinc/83/32/78/377833278.db2.gz BDOKPZWENXNHIY-NHYWBVRUSA-N 2 1 266.816 3.072 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261652337 377833282 /nfs/dbraw/zinc/83/32/82/377833282.db2.gz BDOKPZWENXNHIY-NHYWBVRUSA-N 2 1 266.816 3.072 20 0 CGADMP C[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1cccc(Cl)c1 ZINC000261650280 377834549 /nfs/dbraw/zinc/83/45/49/377834549.db2.gz AYAHGHMIARIMQV-IUODEOHRSA-N 2 1 266.816 3.114 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257738683 377799168 /nfs/dbraw/zinc/79/91/68/377799168.db2.gz SDMOEZXORXIIAF-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257738683 377799171 /nfs/dbraw/zinc/79/91/71/377799171.db2.gz SDMOEZXORXIIAF-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000342937737 377866536 /nfs/dbraw/zinc/86/65/36/377866536.db2.gz ILBTWOXGWIUMBO-KRWDZBQOSA-N 2 1 272.436 3.221 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261915439 377867791 /nfs/dbraw/zinc/86/77/91/377867791.db2.gz GVXACDGQXUTADG-HNNXBMFYSA-N 2 1 298.430 3.409 20 0 CGADMP c1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261933403 377869622 /nfs/dbraw/zinc/86/96/22/377869622.db2.gz LVCXTXXQTONJQT-WBVHZDCISA-N 2 1 258.409 3.213 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC000262490831 377898134 /nfs/dbraw/zinc/89/81/34/377898134.db2.gz KZURQEHVGOPFJD-UHOSZYNNSA-N 2 1 296.414 3.018 20 0 CGADMP c1cc2cnccc2c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000183353544 542230603 /nfs/dbraw/zinc/23/06/03/542230603.db2.gz UDEJSNICEVSJAI-MRXNPFEDSA-N 2 1 295.430 3.153 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000262078324 377884992 /nfs/dbraw/zinc/88/49/92/377884992.db2.gz SUYPCDIZFYZZMZ-XJKSGUPXSA-N 2 1 293.480 3.014 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000262078324 377885003 /nfs/dbraw/zinc/88/50/03/377885003.db2.gz SUYPCDIZFYZZMZ-XJKSGUPXSA-N 2 1 293.480 3.014 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000262136208 377887951 /nfs/dbraw/zinc/88/79/51/377887951.db2.gz YSQFDDWYMZCFCQ-GOEBONIOSA-N 2 1 278.465 3.122 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000262136208 377887955 /nfs/dbraw/zinc/88/79/55/377887955.db2.gz YSQFDDWYMZCFCQ-GOEBONIOSA-N 2 1 278.465 3.122 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)c(C)c1 ZINC000262137855 377888112 /nfs/dbraw/zinc/88/81/12/377888112.db2.gz YVWGDTWJQZOMCU-WMZOPIPTSA-N 2 1 272.436 3.092 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)ccc2c1 ZINC000262490833 377899170 /nfs/dbraw/zinc/89/91/70/377899170.db2.gz KZURQEHVGOPFJD-WDSOQIARSA-N 2 1 296.414 3.018 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2CCc2ccccc2)CC[NH2+]C1 ZINC000261769183 377850798 /nfs/dbraw/zinc/85/07/98/377850798.db2.gz MLNWTDMVMAINFN-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261772247 377851628 /nfs/dbraw/zinc/85/16/28/377851628.db2.gz DUNODVAJJNPOIX-MAUKXSAKSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cc(F)cc([C@]2(F)CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261797858 377855859 /nfs/dbraw/zinc/85/58/59/377855859.db2.gz OXXLSEOKXAREOJ-KRWDZBQOSA-N 2 1 294.389 3.004 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000261811782 377856836 /nfs/dbraw/zinc/85/68/36/377856836.db2.gz OWZHCDJMFJNKHP-SFHVURJKSA-N 2 1 299.393 3.058 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000261811782 377856841 /nfs/dbraw/zinc/85/68/41/377856841.db2.gz OWZHCDJMFJNKHP-SFHVURJKSA-N 2 1 299.393 3.058 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CC[NH+](C)C)CCS2 ZINC000343471600 377990427 /nfs/dbraw/zinc/99/04/27/377990427.db2.gz UVXCFUCCVUCQAX-IUODEOHRSA-N 2 1 294.464 3.162 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000343624610 378045262 /nfs/dbraw/zinc/04/52/62/378045262.db2.gz QVDJWZGJNXGNBI-QZTJIDSGSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268799796 378113752 /nfs/dbraw/zinc/11/37/52/378113752.db2.gz JZUNAWVWIHGZOL-ATLSCFEFSA-N 2 1 272.436 3.143 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268799796 378113758 /nfs/dbraw/zinc/11/37/58/378113758.db2.gz JZUNAWVWIHGZOL-ATLSCFEFSA-N 2 1 272.436 3.143 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578989024 378119338 /nfs/dbraw/zinc/11/93/38/378119338.db2.gz VQSOJUPOXBKLEY-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578989024 378119342 /nfs/dbraw/zinc/11/93/42/378119342.db2.gz VQSOJUPOXBKLEY-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268893496 378145651 /nfs/dbraw/zinc/14/56/51/378145651.db2.gz DPEVYKWSXCJKOR-LPHOPBHVSA-N 2 1 297.446 3.168 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268893496 378145655 /nfs/dbraw/zinc/14/56/55/378145655.db2.gz DPEVYKWSXCJKOR-LPHOPBHVSA-N 2 1 297.446 3.168 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(-c2ccncc2)c1)C1CCCC1 ZINC000578846865 378106102 /nfs/dbraw/zinc/10/61/02/378106102.db2.gz WIKNAJPUFKYXMI-LJQANCHMSA-N 2 1 295.430 3.356 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000343835221 378107992 /nfs/dbraw/zinc/10/79/92/378107992.db2.gz FPSDYCAXAXTKRG-GOSISDBHSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000268777309 378108313 /nfs/dbraw/zinc/10/83/13/378108313.db2.gz BOJMHVZSDOHYQI-JTQLQIEISA-N 2 1 278.425 3.006 20 0 CGADMP Cc1ccsc1C[N@@H+](C)CCc1ccncc1C ZINC000579827256 378199081 /nfs/dbraw/zinc/19/90/81/378199081.db2.gz FAGHHYMGQXDHSK-UHFFFAOYSA-N 2 1 260.406 3.434 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nccc2ccccc21 ZINC000579897929 378205854 /nfs/dbraw/zinc/20/58/54/378205854.db2.gz QBBWLOMLSWZPRT-HUUCEWRRSA-N 2 1 283.419 3.227 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000579897929 378205862 /nfs/dbraw/zinc/20/58/62/378205862.db2.gz QBBWLOMLSWZPRT-HUUCEWRRSA-N 2 1 283.419 3.227 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000345372565 378270311 /nfs/dbraw/zinc/27/03/11/378270311.db2.gz QCAYCLNMKUNRMZ-CQSZACIVSA-N 2 1 266.404 3.249 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3ncccc3c2)C1 ZINC000582054706 378281381 /nfs/dbraw/zinc/28/13/81/378281381.db2.gz AJTPTKGAUBKLOO-MJGOQNOKSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054706 378281382 /nfs/dbraw/zinc/28/13/82/378281382.db2.gz AJTPTKGAUBKLOO-MJGOQNOKSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054706 378281384 /nfs/dbraw/zinc/28/13/84/378281384.db2.gz AJTPTKGAUBKLOO-MJGOQNOKSA-N 2 1 295.430 3.151 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cs1 ZINC000269470644 378226102 /nfs/dbraw/zinc/22/61/02/378226102.db2.gz ZZZOIISXQFJAOI-GFCCVEGCSA-N 2 1 289.448 3.364 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000580707873 378251739 /nfs/dbraw/zinc/25/17/39/378251739.db2.gz WMBPPUJYUOOGFI-MVJTYMMSSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000580707873 378251742 /nfs/dbraw/zinc/25/17/42/378251742.db2.gz WMBPPUJYUOOGFI-MVJTYMMSSA-N 2 1 274.452 3.497 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000583971403 378362780 /nfs/dbraw/zinc/36/27/80/378362780.db2.gz HUEMICOFJXPGQE-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000583971403 378362783 /nfs/dbraw/zinc/36/27/83/378362783.db2.gz HUEMICOFJXPGQE-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)C(C)C ZINC000583569849 378331962 /nfs/dbraw/zinc/33/19/62/378331962.db2.gz PXOPHWDDHCQFDQ-AWEZNQCLSA-N 2 1 260.425 3.199 20 0 CGADMP Cc1ccc([C@@H](C)[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000583638614 378336688 /nfs/dbraw/zinc/33/66/88/378336688.db2.gz CSEKKKWTLMYXKP-OAHLLOKOSA-N 2 1 271.408 3.354 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000583638614 378336693 /nfs/dbraw/zinc/33/66/93/378336693.db2.gz CSEKKKWTLMYXKP-OAHLLOKOSA-N 2 1 271.408 3.354 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000583816929 378348212 /nfs/dbraw/zinc/34/82/12/378348212.db2.gz PXUVWGQRDXDLBK-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000583816929 378348220 /nfs/dbraw/zinc/34/82/20/378348220.db2.gz PXUVWGQRDXDLBK-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000584457284 378386315 /nfs/dbraw/zinc/38/63/15/378386315.db2.gz WORXTZRHFRYNNG-VKJFTORMSA-N 2 1 272.436 3.384 20 0 CGADMP CCC(C)(C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346186446 378497159 /nfs/dbraw/zinc/49/71/59/378497159.db2.gz YSYSJKPFGGFULN-UHFFFAOYSA-N 2 1 272.396 3.196 20 0 CGADMP CCC[NH+]1CCC([NH2+]C2(c3cccc(OC)c3)CC2)CC1 ZINC000272170025 378577309 /nfs/dbraw/zinc/57/73/09/378577309.db2.gz DANVKIJOKFUACI-UHFFFAOYSA-N 2 1 288.435 3.148 20 0 CGADMP C[C@H]([NH2+]Cc1ccoc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272179399 378578898 /nfs/dbraw/zinc/57/88/98/378578898.db2.gz KANZQIUMKMQFOU-MAUKXSAKSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@H]([NH2+]Cc1ccoc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272179399 378578900 /nfs/dbraw/zinc/57/89/00/378578900.db2.gz KANZQIUMKMQFOU-MAUKXSAKSA-N 2 1 284.403 3.280 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](CCC(C)C)C1CCCC1 ZINC000346298111 378536924 /nfs/dbraw/zinc/53/69/24/378536924.db2.gz ARRRDGIKCKRMDC-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](CCC(C)C)C1CCCC1 ZINC000346298111 378536926 /nfs/dbraw/zinc/53/69/26/378536926.db2.gz ARRRDGIKCKRMDC-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)c1[nH+]ccn1CCc1nc2ccccc2n1C ZINC000272406854 378630388 /nfs/dbraw/zinc/63/03/88/378630388.db2.gz FXZXOFWOTKEYSO-UHFFFAOYSA-N 2 1 268.364 3.136 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000346592833 378637556 /nfs/dbraw/zinc/63/75/56/378637556.db2.gz KFBVMOQLHDEQLX-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000346592833 378637563 /nfs/dbraw/zinc/63/75/63/378637563.db2.gz KFBVMOQLHDEQLX-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000346538455 378611002 /nfs/dbraw/zinc/61/10/02/378611002.db2.gz SMLOWUUXMVBKLB-LSDHHAIUSA-N 2 1 281.469 3.236 20 0 CGADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000346550269 378615924 /nfs/dbraw/zinc/61/59/24/378615924.db2.gz FXVKSXNCNMDTBC-BQFCYCMXSA-N 2 1 290.451 3.054 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)oc2cc1C ZINC000346652553 378663524 /nfs/dbraw/zinc/66/35/24/378663524.db2.gz HKUOYGAXRMMAJB-KGLIPLIRSA-N 2 1 272.392 3.219 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000346692925 378676468 /nfs/dbraw/zinc/67/64/68/378676468.db2.gz JSPRTENFQCZPEP-ZBFHGGJFSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347952065 378737528 /nfs/dbraw/zinc/73/75/28/378737528.db2.gz JUBOLRIJMVEXHA-BQFCYCMXSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000347959705 378740159 /nfs/dbraw/zinc/74/01/59/378740159.db2.gz MIIXXRIXMWAUCS-ZIAGYGMSSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000346994627 378704072 /nfs/dbraw/zinc/70/40/72/378704072.db2.gz UQHLLSOAXLKXLC-ZMSDIMECSA-N 2 1 290.476 3.165 20 0 CGADMP Clc1cc(Cl)c2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000346996452 378704329 /nfs/dbraw/zinc/70/43/29/378704329.db2.gz WTHXYVRYTOWMEY-UHFFFAOYSA-N 2 1 299.245 3.351 20 0 CGADMP Cc1scc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000638116237 378704403 /nfs/dbraw/zinc/70/44/03/378704403.db2.gz IQBQZUULTHXHAQ-NHYWBVRUSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000638116237 378704409 /nfs/dbraw/zinc/70/44/09/378704409.db2.gz IQBQZUULTHXHAQ-NHYWBVRUSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000638116237 378704412 /nfs/dbraw/zinc/70/44/12/378704412.db2.gz IQBQZUULTHXHAQ-NHYWBVRUSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1scc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000638116237 378704415 /nfs/dbraw/zinc/70/44/15/378704415.db2.gz IQBQZUULTHXHAQ-NHYWBVRUSA-N 2 1 266.454 3.279 20 0 CGADMP C[C@@H]([NH2+]CC1(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348049795 378767004 /nfs/dbraw/zinc/76/70/04/378767004.db2.gz YFWNBRVMDWCRJA-NVXWUHKLSA-N 2 1 272.436 3.287 20 0 CGADMP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC000348079037 378781203 /nfs/dbraw/zinc/78/12/03/378781203.db2.gz PYZLRZRTTMYIKI-WMZOPIPTSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC000348079037 378781207 /nfs/dbraw/zinc/78/12/07/378781207.db2.gz PYZLRZRTTMYIKI-WMZOPIPTSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC000348079037 378781214 /nfs/dbraw/zinc/78/12/14/378781214.db2.gz PYZLRZRTTMYIKI-WMZOPIPTSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000348079037 378781219 /nfs/dbraw/zinc/78/12/19/378781219.db2.gz PYZLRZRTTMYIKI-WMZOPIPTSA-N 2 1 290.451 3.180 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638381875 378786350 /nfs/dbraw/zinc/78/63/50/378786350.db2.gz PSAMRQOGNSFZIB-CGTJXYLNSA-N 2 1 272.436 3.112 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000348100383 378792223 /nfs/dbraw/zinc/79/22/23/378792223.db2.gz FIJCJTIAGSKEBU-DLBZAZTESA-N 2 1 260.425 3.287 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000638462171 378811806 /nfs/dbraw/zinc/81/18/06/378811806.db2.gz JUYUAOKBZGKTLO-GDBMZVCRSA-N 2 1 261.413 3.306 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346834898 218030459 /nfs/dbraw/zinc/03/04/59/218030459.db2.gz NIXIBBVBEVWRIL-QAPCUYQASA-N 2 1 288.435 3.222 20 0 CGADMP CC(C)O[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000638837939 378931885 /nfs/dbraw/zinc/93/18/85/378931885.db2.gz AXSIBAHZBLPGSY-SFHVURJKSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000347060944 218107182 /nfs/dbraw/zinc/10/71/82/218107182.db2.gz YGOPFXCQJNFDSO-JSGCOSHPSA-N 2 1 274.433 3.461 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347178014 218146956 /nfs/dbraw/zinc/14/69/56/218146956.db2.gz RYIQVEFTTNAWPZ-UHFFFAOYSA-N 2 1 272.392 3.179 20 0 CGADMP Cc1scc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000639106214 379029611 /nfs/dbraw/zinc/02/96/11/379029611.db2.gz XCMGGMYRTDUMHJ-OAHLLOKOSA-N 2 1 266.454 3.281 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000277061145 379057957 /nfs/dbraw/zinc/05/79/57/379057957.db2.gz DCYQYDJZTFWBJS-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000347317562 218188781 /nfs/dbraw/zinc/18/87/81/218188781.db2.gz GHZMSHACGJJDPT-JKSUJKDBSA-N 2 1 262.441 3.185 20 0 CGADMP CC[NH+]1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000371260779 379131329 /nfs/dbraw/zinc/13/13/29/379131329.db2.gz QQHMATMQALMEJG-UHFFFAOYSA-N 2 1 258.409 3.135 20 0 CGADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000371260779 379131330 /nfs/dbraw/zinc/13/13/30/379131330.db2.gz QQHMATMQALMEJG-UHFFFAOYSA-N 2 1 258.409 3.135 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1sccc1C ZINC000349413907 379273226 /nfs/dbraw/zinc/27/32/26/379273226.db2.gz GASDMUOYNBAFHA-UHFFFAOYSA-N 2 1 266.454 3.364 20 0 CGADMP C([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000639322658 379275555 /nfs/dbraw/zinc/27/55/55/379275555.db2.gz VCLKOLLUQRBOPA-HNNXBMFYSA-N 2 1 282.497 3.126 20 0 CGADMP C([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000639322658 379275559 /nfs/dbraw/zinc/27/55/59/379275559.db2.gz VCLKOLLUQRBOPA-HNNXBMFYSA-N 2 1 282.497 3.126 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CCC2)o1 ZINC000349779930 379380773 /nfs/dbraw/zinc/38/07/73/379380773.db2.gz BCISWNLUMNBECL-KRWDZBQOSA-N 2 1 274.408 3.281 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000278334565 379352297 /nfs/dbraw/zinc/35/22/97/379352297.db2.gz WTLCMWWUTRJIEC-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000278334565 379352309 /nfs/dbraw/zinc/35/23/09/379352309.db2.gz WTLCMWWUTRJIEC-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683512 379545947 /nfs/dbraw/zinc/54/59/47/379545947.db2.gz IOUGUISQMJVQJO-LJQANCHMSA-N 2 1 293.414 3.281 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000569889217 322259779 /nfs/dbraw/zinc/25/97/79/322259779.db2.gz PSUFLYXZMJRHRH-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccs1 ZINC000376596093 379587278 /nfs/dbraw/zinc/58/72/78/379587278.db2.gz TVBHJCLUNHZTPH-IYXRBSQSSA-N 2 1 264.438 3.416 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCc3ccc(Cl)cc3)C2)CC1 ZINC000639755876 379570230 /nfs/dbraw/zinc/57/02/30/379570230.db2.gz PWHYPILTCAGOLR-UHFFFAOYSA-N 2 1 292.854 3.300 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758616 379571564 /nfs/dbraw/zinc/57/15/64/379571564.db2.gz WJTLWRHKXTWERL-HNNXBMFYSA-N 2 1 258.409 3.165 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC000640015765 379686981 /nfs/dbraw/zinc/68/69/81/379686981.db2.gz MTULLVWMVNBUKG-UHFFFAOYSA-N 2 1 289.467 3.047 20 0 CGADMP CCC1([NH+](C)C)CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000640016010 379687697 /nfs/dbraw/zinc/68/76/97/379687697.db2.gz QLKRYTXAFZJTDY-KRWDZBQOSA-N 2 1 295.515 3.056 20 0 CGADMP Clc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000378480720 379830499 /nfs/dbraw/zinc/83/04/99/379830499.db2.gz BHCVJZGMYAWEHI-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C1CCCC1 ZINC000282178881 379868552 /nfs/dbraw/zinc/86/85/52/379868552.db2.gz FNDIJVVPCKDQHS-CQSZACIVSA-N 2 1 297.446 3.099 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C1CCCC1 ZINC000282178881 379868555 /nfs/dbraw/zinc/86/85/55/379868555.db2.gz FNDIJVVPCKDQHS-CQSZACIVSA-N 2 1 297.446 3.099 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC[C@@H]1CCCCO1 ZINC000640532189 379820241 /nfs/dbraw/zinc/82/02/41/379820241.db2.gz BHHWSRBLKFIJJU-KRWDZBQOSA-N 2 1 282.472 3.144 20 0 CGADMP CC(C)n1ccnc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532582 379820400 /nfs/dbraw/zinc/82/04/00/379820400.db2.gz GLBFGPSJTYGWEI-UHFFFAOYSA-N 2 1 292.471 3.162 20 0 CGADMP CC(C)n1ccnc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532582 379820407 /nfs/dbraw/zinc/82/04/07/379820407.db2.gz GLBFGPSJTYGWEI-UHFFFAOYSA-N 2 1 292.471 3.162 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000282459007 379924483 /nfs/dbraw/zinc/92/44/83/379924483.db2.gz VNDQZIYCZZKZTF-HBUWYVDXSA-N 2 1 285.435 3.029 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000282465971 379925974 /nfs/dbraw/zinc/92/59/74/379925974.db2.gz VXMBFDQJITZPGT-PBHICJAKSA-N 2 1 285.435 3.030 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000352735342 379930810 /nfs/dbraw/zinc/93/08/10/379930810.db2.gz HHIGJLHRQRCYEA-AGIUHOORSA-N 2 1 281.469 3.119 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000279024636 194254914 /nfs/dbraw/zinc/25/49/14/194254914.db2.gz VGBOSHLTTRNCDR-CRAIPNDOSA-N 2 1 283.419 3.432 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352778787 379953410 /nfs/dbraw/zinc/95/34/10/379953410.db2.gz ICCRUFVHQFXGBH-OLZOCXBDSA-N 2 1 281.469 3.121 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352778788 379954596 /nfs/dbraw/zinc/95/45/96/379954596.db2.gz ICCRUFVHQFXGBH-QWHCGFSZSA-N 2 1 281.469 3.121 20 0 CGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401760271 379959169 /nfs/dbraw/zinc/95/91/69/379959169.db2.gz UQWGCWIDKCAGLC-LSDHHAIUSA-N 2 1 263.429 3.157 20 0 CGADMP C[C@@H](C[N@@H+](C)CC[C@H]1CCC[NH+]1C)c1ccccc1 ZINC000409445692 380032868 /nfs/dbraw/zinc/03/28/68/380032868.db2.gz HJRDQJULMOAVAL-DOTOQJQBSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@@H](C[NH+](C)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000409445692 380032875 /nfs/dbraw/zinc/03/28/75/380032875.db2.gz HJRDQJULMOAVAL-DOTOQJQBSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@@H](C[NH+](C)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000409445692 380032879 /nfs/dbraw/zinc/03/28/79/380032879.db2.gz HJRDQJULMOAVAL-DOTOQJQBSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CC(c3ccccc3)C2)CC[N@H+]1C ZINC000283382644 380058094 /nfs/dbraw/zinc/05/80/94/380058094.db2.gz OUOWMZOXWYCBFX-HRSCSKTISA-N 2 1 272.436 3.253 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000352972962 380061080 /nfs/dbraw/zinc/06/10/80/380061080.db2.gz ZMCUZIOEDCJRPD-MHORFTMASA-N 2 1 294.483 3.187 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC000410393518 380092323 /nfs/dbraw/zinc/09/23/23/380092323.db2.gz WQENBGJQRMVYFH-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000641798277 380111111 /nfs/dbraw/zinc/11/11/11/380111111.db2.gz DOVPLCZPUYLXPB-FRRDWIJNSA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000641798277 380111118 /nfs/dbraw/zinc/11/11/18/380111118.db2.gz DOVPLCZPUYLXPB-FRRDWIJNSA-N 2 1 289.448 3.102 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC000414149759 380193212 /nfs/dbraw/zinc/19/32/12/380193212.db2.gz OJWQKMICWLDAEG-CVEARBPZSA-N 2 1 296.499 3.433 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353945739 380247737 /nfs/dbraw/zinc/24/77/37/380247737.db2.gz BZYKFXRZSJOYJV-GRYCIOLGSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000353906989 380228424 /nfs/dbraw/zinc/22/84/24/380228424.db2.gz BYZJSNYQEOSCBB-LSDHHAIUSA-N 2 1 269.392 3.493 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1C(C)(C)C1(C)C ZINC000353928773 380241178 /nfs/dbraw/zinc/24/11/78/380241178.db2.gz LNCLLZVBZRYTSX-IHRRRGAJSA-N 2 1 264.457 3.274 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000643499184 380321285 /nfs/dbraw/zinc/32/12/85/380321285.db2.gz FUZSTPSDUOUSBO-CYBMUJFWSA-N 2 1 260.381 3.391 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000354106977 380326273 /nfs/dbraw/zinc/32/62/73/380326273.db2.gz NJTSQWWLXUBKDF-CGTJXYLNSA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000354106977 380326275 /nfs/dbraw/zinc/32/62/75/380326275.db2.gz NJTSQWWLXUBKDF-CGTJXYLNSA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000354106977 380326278 /nfs/dbraw/zinc/32/62/78/380326278.db2.gz NJTSQWWLXUBKDF-CGTJXYLNSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3cnccc3c2)C[C@H]1C[NH3+] ZINC000643427670 380305728 /nfs/dbraw/zinc/30/57/28/380305728.db2.gz VFMAQCGAHWAKDQ-HBUWYVDXSA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H]([NH2+]CCCCc1ccccc1)c1c[nH+]ccc1N ZINC000643458343 380310220 /nfs/dbraw/zinc/31/02/20/380310220.db2.gz OJBVVYIQBNSGAN-CQSZACIVSA-N 2 1 269.392 3.168 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205268 380363561 /nfs/dbraw/zinc/36/35/61/380363561.db2.gz HTCVQNCREUJFAE-DLBZAZTESA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205268 380363569 /nfs/dbraw/zinc/36/35/69/380363569.db2.gz HTCVQNCREUJFAE-DLBZAZTESA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205268 380363577 /nfs/dbraw/zinc/36/35/77/380363577.db2.gz HTCVQNCREUJFAE-DLBZAZTESA-N 2 1 290.451 3.260 20 0 CGADMP CC[N@H+](Cc1c(F)cccc1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697404 380378214 /nfs/dbraw/zinc/37/82/14/380378214.db2.gz QWCCNOBREXYCIG-QWHCGFSZSA-N 2 1 282.378 3.175 20 0 CGADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000414695116 380378589 /nfs/dbraw/zinc/37/85/89/380378589.db2.gz OAFDBCBGAGVPNR-MRXNPFEDSA-N 2 1 257.381 3.044 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414696596 380378851 /nfs/dbraw/zinc/37/88/51/380378851.db2.gz BAIKPUNRFOHCKG-YFHUEUNASA-N 2 1 272.436 3.253 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCSC3(CCCCC3)C2)CC[NH2+]1 ZINC000414699297 380379780 /nfs/dbraw/zinc/37/97/80/380379780.db2.gz FBKRGROYUVMCGS-GJZGRUSLSA-N 2 1 282.497 3.126 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC000414732314 380389042 /nfs/dbraw/zinc/38/90/42/380389042.db2.gz BJSORXNBFACEEY-DGCLKSJQSA-N 2 1 284.806 3.299 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000643528529 380345372 /nfs/dbraw/zinc/34/53/72/380345372.db2.gz KQKRRNRHCPCUTG-ZJUUUORDSA-N 2 1 274.380 3.042 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643546776 380361011 /nfs/dbraw/zinc/36/10/11/380361011.db2.gz UPLIYFCPHMKSIY-YPMHNXCESA-N 2 1 293.480 3.339 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1F ZINC000643547319 380361812 /nfs/dbraw/zinc/36/18/12/380361812.db2.gz CTZBJKXEVFIOMY-TZMCWYRMSA-N 2 1 292.398 3.160 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414816767 380428260 /nfs/dbraw/zinc/42/82/60/380428260.db2.gz QLTZVNFVWHREEV-XJKSGUPXSA-N 2 1 266.404 3.254 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1F ZINC000414818835 380430102 /nfs/dbraw/zinc/43/01/02/380430102.db2.gz WUNZKFLXLBRBPY-HIFRSBDPSA-N 2 1 266.404 3.254 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000414838972 380446473 /nfs/dbraw/zinc/44/64/73/380446473.db2.gz LDTFETZMAOVPOM-KRWDZBQOSA-N 2 1 276.424 3.083 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000414847463 380452009 /nfs/dbraw/zinc/45/20/09/380452009.db2.gz VVZRSWOQLDOWGT-JTQLQIEISA-N 2 1 266.772 3.031 20 0 CGADMP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780857 380401283 /nfs/dbraw/zinc/40/12/83/380401283.db2.gz MBGKBPKTWJNYAF-STQMWFEESA-N 2 1 296.817 3.301 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc3cnccc3c1)CC[NH2+]CC2 ZINC000643973806 380403769 /nfs/dbraw/zinc/40/37/69/380403769.db2.gz ZNABVXROBWEPQL-HNNXBMFYSA-N 2 1 295.430 3.199 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(SC)cc1 ZINC000414805165 380417868 /nfs/dbraw/zinc/41/78/68/380417868.db2.gz AETPJGXZQUNKIB-CYBMUJFWSA-N 2 1 252.427 3.016 20 0 CGADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)C[NH3+] ZINC000414942665 380499857 /nfs/dbraw/zinc/49/98/57/380499857.db2.gz KLQHMRGWECRMNX-WFASDCNBSA-N 2 1 268.832 3.234 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000415138064 380509237 /nfs/dbraw/zinc/50/92/37/380509237.db2.gz GJJLTIYSOVHWRH-DJIMGWMZSA-N 2 1 260.425 3.156 20 0 CGADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(F)cc2)CCCCCC1 ZINC000414858605 380459724 /nfs/dbraw/zinc/45/97/24/380459724.db2.gz KGDBQFADNDSQAM-AATRIKPKSA-N 2 1 276.399 3.480 20 0 CGADMP c1oc2ccccc2c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414870612 380466906 /nfs/dbraw/zinc/46/69/06/380466906.db2.gz CLZRBDNVUUOSQH-UHFFFAOYSA-N 2 1 295.386 3.097 20 0 CGADMP CCCCCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414880365 380472990 /nfs/dbraw/zinc/47/29/90/380472990.db2.gz JQAYMVQNMMTFLF-UHFFFAOYSA-N 2 1 276.424 3.227 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414905522 380484166 /nfs/dbraw/zinc/48/41/66/380484166.db2.gz OENFGVBSWCUDEY-CYBMUJFWSA-N 2 1 266.816 3.134 20 0 CGADMP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000354965711 380566119 /nfs/dbraw/zinc/56/61/19/380566119.db2.gz KPIZGMFJUYROLL-MLGOLLRUSA-N 2 1 296.842 3.100 20 0 CGADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CC1(C)C ZINC000417332307 380596878 /nfs/dbraw/zinc/59/68/78/380596878.db2.gz XALASJDPXGFALL-GJZGRUSLSA-N 2 1 263.429 3.386 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CC5)[C@H]3C2)cc1 ZINC000417345277 380602340 /nfs/dbraw/zinc/60/23/40/380602340.db2.gz XLTOFLZBPIBJBM-VJANTYMQSA-N 2 1 296.458 3.287 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000355693125 380753153 /nfs/dbraw/zinc/75/31/53/380753153.db2.gz TVGAAXWPXHVKBO-CQSZACIVSA-N 2 1 263.429 3.109 20 0 CGADMP CCSCC[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000355740598 380766073 /nfs/dbraw/zinc/76/60/73/380766073.db2.gz CYJSSEDAPNIASI-CQSZACIVSA-N 2 1 272.502 3.230 20 0 CGADMP CCSCC[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000355740598 380766077 /nfs/dbraw/zinc/76/60/77/380766077.db2.gz CYJSSEDAPNIASI-CQSZACIVSA-N 2 1 272.502 3.230 20 0 CGADMP Cc1ccccc1C1([NH2+]CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000645980418 380791047 /nfs/dbraw/zinc/79/10/47/380791047.db2.gz FZJCIYWGEKIFKP-OAHLLOKOSA-N 2 1 258.409 3.058 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C2CC2)cc1 ZINC000419349104 380811918 /nfs/dbraw/zinc/81/19/18/380811918.db2.gz YFLTYMGPVUELED-CYBMUJFWSA-N 2 1 269.392 3.191 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC1 ZINC000356862470 380905349 /nfs/dbraw/zinc/90/53/49/380905349.db2.gz ZVOHOFXEZZLCQZ-PBHICJAKSA-N 2 1 258.409 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC1 ZINC000356862470 380905361 /nfs/dbraw/zinc/90/53/61/380905361.db2.gz ZVOHOFXEZZLCQZ-PBHICJAKSA-N 2 1 258.409 3.039 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)[C@H]1CCCOC1)[NH+]1CCC(C)CC1 ZINC000356862389 380906618 /nfs/dbraw/zinc/90/66/18/380906618.db2.gz ZRAGUGRZXGWSKT-FGTMMUONSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357029496 381000480 /nfs/dbraw/zinc/00/04/80/381000480.db2.gz NIADOXQKVMVTPK-KRWDZBQOSA-N 2 1 298.430 3.225 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2c1C ZINC000334781895 207066649 /nfs/dbraw/zinc/06/66/49/207066649.db2.gz SNTAPBXPDVDSTQ-YVEFUNNKSA-N 2 1 285.435 3.215 20 0 CGADMP Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000360214334 381481769 /nfs/dbraw/zinc/48/17/69/381481769.db2.gz VMIYIAAVFWLHFT-NUEKZKHPSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000360214334 381481776 /nfs/dbraw/zinc/48/17/76/381481776.db2.gz VMIYIAAVFWLHFT-NUEKZKHPSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000360214334 381481781 /nfs/dbraw/zinc/48/17/81/381481781.db2.gz VMIYIAAVFWLHFT-NUEKZKHPSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000360573104 381582097 /nfs/dbraw/zinc/58/20/97/381582097.db2.gz ZSUQAUAIYJATIH-KRWDZBQOSA-N 2 1 290.476 3.081 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000334868012 207215136 /nfs/dbraw/zinc/21/51/36/207215136.db2.gz IAAVNTHWUNCGEF-IEBWSBKVSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c2ccccc2n1 ZINC000227380733 542292991 /nfs/dbraw/zinc/29/29/91/542292991.db2.gz FTDYTSFVZCRKSW-FZKQIMNGSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c2ccccc2n1 ZINC000227380733 542292995 /nfs/dbraw/zinc/29/29/95/542292995.db2.gz FTDYTSFVZCRKSW-FZKQIMNGSA-N 2 1 283.419 3.102 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362910748 382144644 /nfs/dbraw/zinc/14/46/44/382144644.db2.gz FMUKVBXEACWSAR-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1nc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)cs1 ZINC000363738826 382250449 /nfs/dbraw/zinc/25/04/49/382250449.db2.gz RBTGWXWDGKDUIJ-OAHLLOKOSA-N 2 1 290.436 3.184 20 0 CGADMP Cc1nc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)cs1 ZINC000363738826 382250452 /nfs/dbraw/zinc/25/04/52/382250452.db2.gz RBTGWXWDGKDUIJ-OAHLLOKOSA-N 2 1 290.436 3.184 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000252412697 542349883 /nfs/dbraw/zinc/34/98/83/542349883.db2.gz AVDQIMNXCFRGRU-QZTJIDSGSA-N 2 1 272.436 3.267 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC1 ZINC000280941565 195038804 /nfs/dbraw/zinc/03/88/04/195038804.db2.gz WBCJFAPYRYVXTJ-CZIWCDLHSA-N 2 1 276.399 3.146 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000335253061 208034799 /nfs/dbraw/zinc/03/47/99/208034799.db2.gz GPNXRQGHFNALKN-HIFRSBDPSA-N 2 1 285.435 3.357 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1C ZINC000335253061 208034803 /nfs/dbraw/zinc/03/48/03/208034803.db2.gz GPNXRQGHFNALKN-HIFRSBDPSA-N 2 1 285.435 3.357 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425930520 533056467 /nfs/dbraw/zinc/05/64/67/533056467.db2.gz IMGORZKOPKAGCK-QWHCGFSZSA-N 2 1 266.454 3.257 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2)C[C@H]1C ZINC000353753359 220304988 /nfs/dbraw/zinc/30/49/88/220304988.db2.gz WHDVNHVJFJSUFY-WBVHZDCISA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C[C@H]1C ZINC000353753359 220304991 /nfs/dbraw/zinc/30/49/91/220304991.db2.gz WHDVNHVJFJSUFY-WBVHZDCISA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C[C@H]1C ZINC000353753359 220304994 /nfs/dbraw/zinc/30/49/94/220304994.db2.gz WHDVNHVJFJSUFY-WBVHZDCISA-N 2 1 260.425 3.300 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000310768599 542428736 /nfs/dbraw/zinc/42/87/36/542428736.db2.gz SIVIROZLUZENEK-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069604 542485546 /nfs/dbraw/zinc/48/55/46/542485546.db2.gz XZYVCEQPEBNPTI-GJZGRUSLSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069604 542485551 /nfs/dbraw/zinc/48/55/51/542485551.db2.gz XZYVCEQPEBNPTI-GJZGRUSLSA-N 2 1 284.403 3.458 20 0 CGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000353457456 542557058 /nfs/dbraw/zinc/55/70/58/542557058.db2.gz ZHDADRAHVMUJSO-AWEZNQCLSA-N 2 1 286.423 3.102 20 0 CGADMP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000353652198 542559415 /nfs/dbraw/zinc/55/94/15/542559415.db2.gz IGUOTLNCEDRYJU-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000353652198 542559416 /nfs/dbraw/zinc/55/94/16/542559416.db2.gz IGUOTLNCEDRYJU-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000353652198 542559418 /nfs/dbraw/zinc/55/94/18/542559418.db2.gz IGUOTLNCEDRYJU-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000353652198 542559421 /nfs/dbraw/zinc/55/94/21/542559421.db2.gz IGUOTLNCEDRYJU-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281577368 195294873 /nfs/dbraw/zinc/29/48/73/195294873.db2.gz KUEZFMMXOMWRPJ-BBWFWOEESA-N 2 1 291.414 3.134 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1csc(Cl)c1 ZINC000423353678 533402616 /nfs/dbraw/zinc/40/26/16/533402616.db2.gz BXFQPBJJHSSMQD-MWLCHTKSSA-N 2 1 258.818 3.194 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423327720 533423952 /nfs/dbraw/zinc/42/39/52/533423952.db2.gz LSHWWMNVCHZPKT-BMIGLBTASA-N 2 1 286.341 3.144 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423310707 533429249 /nfs/dbraw/zinc/42/92/49/533429249.db2.gz AUXASQXUJSQIMD-WBMJQRKESA-N 2 1 260.425 3.372 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423279555 533508925 /nfs/dbraw/zinc/50/89/25/533508925.db2.gz RLQJKGFCFMJUJE-OQPBUACISA-N 2 1 273.207 3.381 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423273248 533511280 /nfs/dbraw/zinc/51/12/80/533511280.db2.gz IWIVNMYQTSBIAC-RNCFNFMXSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423264596 533536653 /nfs/dbraw/zinc/53/66/53/533536653.db2.gz AJAJOQYYVBQHJR-AMIZOPFISA-N 2 1 273.207 3.381 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423496835 533658248 /nfs/dbraw/zinc/65/82/48/533658248.db2.gz FMVGYCFHTJJMRB-YVEFUNNKSA-N 2 1 296.405 3.393 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388687151 542605957 /nfs/dbraw/zinc/60/59/57/542605957.db2.gz DEEPPENEKSXXMA-INWMFGNUSA-N 2 1 278.827 3.462 20 0 CGADMP c1ccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000383590303 542600412 /nfs/dbraw/zinc/60/04/12/542600412.db2.gz RDKAVOVFFXBYDA-UHFFFAOYSA-N 2 1 292.426 3.497 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000191003700 130170447 /nfs/dbraw/zinc/17/04/47/130170447.db2.gz XCTXGFUQYONUJI-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000191003700 130170449 /nfs/dbraw/zinc/17/04/49/130170449.db2.gz XCTXGFUQYONUJI-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392197933 542612369 /nfs/dbraw/zinc/61/23/69/542612369.db2.gz VMKPUJFSTSQGFJ-OIISXLGYSA-N 2 1 264.457 3.299 20 0 CGADMP CC(C)CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000391177301 542612404 /nfs/dbraw/zinc/61/24/04/542612404.db2.gz NYUPDJRHPQVZHA-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cc(C)ccc2C1 ZINC000361845375 392343908 /nfs/dbraw/zinc/34/39/08/392343908.db2.gz ZCWUQSRVDNAKCA-UHFFFAOYSA-N 2 1 283.419 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cc(C)ccc2C1 ZINC000361845375 392343913 /nfs/dbraw/zinc/34/39/13/392343913.db2.gz ZCWUQSRVDNAKCA-UHFFFAOYSA-N 2 1 283.419 3.338 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000108879597 392347959 /nfs/dbraw/zinc/34/79/59/392347959.db2.gz SKSNSSHLHKHLBP-CHWSQXEVSA-N 2 1 264.438 3.027 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC2(C)CCC2)C1 ZINC000434760851 542655929 /nfs/dbraw/zinc/65/59/29/542655929.db2.gz UBSWXQCOIXQIAP-HNNXBMFYSA-N 2 1 252.446 3.278 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000442773144 542666149 /nfs/dbraw/zinc/66/61/49/542666149.db2.gz WOWPGZMRUBNCGO-PNESKVBLSA-N 2 1 262.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000250263830 131124645 /nfs/dbraw/zinc/12/46/45/131124645.db2.gz KDDOJSWUNNMYKW-CHWSQXEVSA-N 2 1 252.427 3.049 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CC)CCC2)[C@H](C)C1 ZINC000361927979 392366493 /nfs/dbraw/zinc/36/64/93/392366493.db2.gz UNMQDKYXLIWEHX-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119638771 392396655 /nfs/dbraw/zinc/39/66/55/392396655.db2.gz ATNKMWURVXNSBU-QGZVFWFLSA-N 2 1 274.383 3.029 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134880389 392467960 /nfs/dbraw/zinc/46/79/60/392467960.db2.gz MBCSZWDJRCJPEM-NVXWUHKLSA-N 2 1 262.441 3.125 20 0 CGADMP C(C1CCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134880389 392467962 /nfs/dbraw/zinc/46/79/62/392467962.db2.gz MBCSZWDJRCJPEM-NVXWUHKLSA-N 2 1 262.441 3.125 20 0 CGADMP C(C1CCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134880389 392467964 /nfs/dbraw/zinc/46/79/64/392467964.db2.gz MBCSZWDJRCJPEM-NVXWUHKLSA-N 2 1 262.441 3.125 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000158563580 392570196 /nfs/dbraw/zinc/57/01/96/392570196.db2.gz VDQUUOMKQQSPAK-LZLYRXPVSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000158563580 392570204 /nfs/dbraw/zinc/57/02/04/392570204.db2.gz VDQUUOMKQQSPAK-LZLYRXPVSA-N 2 1 274.452 3.307 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000158676369 392574091 /nfs/dbraw/zinc/57/40/91/392574091.db2.gz HMVPRTFFKNHCSU-KKUMJFAQSA-N 2 1 293.430 3.239 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccnc1)C1CC1 ZINC000162354868 392594411 /nfs/dbraw/zinc/59/44/11/392594411.db2.gz NBKCUXFIJCFHFZ-UHFFFAOYSA-N 2 1 284.407 3.031 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccnc1)C1CC1 ZINC000162354868 392594413 /nfs/dbraw/zinc/59/44/13/392594413.db2.gz NBKCUXFIJCFHFZ-UHFFFAOYSA-N 2 1 284.407 3.031 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000164785168 392606939 /nfs/dbraw/zinc/60/69/39/392606939.db2.gz HXANEHFAAUVIKF-CPUCHLNUSA-N 2 1 292.442 3.422 20 0 CGADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000647281180 392633416 /nfs/dbraw/zinc/63/34/16/392633416.db2.gz AWLJNWCSLOOJED-GOSISDBHSA-N 2 1 287.451 3.385 20 0 CGADMP CC1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000174316316 392639279 /nfs/dbraw/zinc/63/92/79/392639279.db2.gz OLQWLMLYERMKLO-HPZPOOBXSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647307602 392656612 /nfs/dbraw/zinc/65/66/12/392656612.db2.gz DHLBVYUIIOSRPM-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506477746 392727074 /nfs/dbraw/zinc/72/70/74/392727074.db2.gz CCMOBYMIRSNQJC-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506477746 392727076 /nfs/dbraw/zinc/72/70/76/392727076.db2.gz CCMOBYMIRSNQJC-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506477746 392727081 /nfs/dbraw/zinc/72/70/81/392727081.db2.gz CCMOBYMIRSNQJC-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479313 392734434 /nfs/dbraw/zinc/73/44/34/392734434.db2.gz BXJBYRTYZAOTJK-MJGOQNOKSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000647479690 392734472 /nfs/dbraw/zinc/73/44/72/392734472.db2.gz PVEXZQXAWFTLQV-KYJSFNMBSA-N 2 1 290.426 3.393 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)ccc2cn1 ZINC000647479764 392735127 /nfs/dbraw/zinc/73/51/27/392735127.db2.gz TTXFDCJGXIPQSN-RTBURBONSA-N 2 1 295.430 3.199 20 0 CGADMP CC[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000647497694 392740858 /nfs/dbraw/zinc/74/08/58/392740858.db2.gz RMULHSVXEWEWGE-LRDDRELGSA-N 2 1 298.833 3.471 20 0 CGADMP CC[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000647497694 392740860 /nfs/dbraw/zinc/74/08/60/392740860.db2.gz RMULHSVXEWEWGE-LRDDRELGSA-N 2 1 298.833 3.471 20 0 CGADMP CC[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000647497445 392740896 /nfs/dbraw/zinc/74/08/96/392740896.db2.gz HXXRIEBYMKUOCW-TZFWHLHDSA-N 2 1 280.362 3.037 20 0 CGADMP CC[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000647497445 392740898 /nfs/dbraw/zinc/74/08/98/392740898.db2.gz HXXRIEBYMKUOCW-TZFWHLHDSA-N 2 1 280.362 3.037 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647497556 392740900 /nfs/dbraw/zinc/74/09/00/392740900.db2.gz MBVJPRXNNMKWDY-IRXDYDNUSA-N 2 1 260.425 3.198 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1[NH3+] ZINC000647498417 392742706 /nfs/dbraw/zinc/74/27/06/392742706.db2.gz GWALEJXAFHYOFU-RDJZCZTQSA-N 2 1 288.435 3.035 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@H]1[NH3+] ZINC000647498264 392742730 /nfs/dbraw/zinc/74/27/30/392742730.db2.gz DHUBAMACWOOYBM-RBSFLKMASA-N 2 1 252.446 3.262 20 0 CGADMP CC1([NH3+])CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000647530816 392752401 /nfs/dbraw/zinc/75/24/01/392752401.db2.gz IDWNDCBCXMIHGX-UHFFFAOYSA-N 2 1 284.806 3.225 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000647535761 392756491 /nfs/dbraw/zinc/75/64/91/392756491.db2.gz JCLPGXMPOCJZBC-HNNXBMFYSA-N 2 1 260.425 3.025 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543099 392761063 /nfs/dbraw/zinc/76/10/63/392761063.db2.gz HNTSZOZLGZUUBH-IRXDYDNUSA-N 2 1 290.426 3.346 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000647552515 392763987 /nfs/dbraw/zinc/76/39/87/392763987.db2.gz DJBMHAXFCQFMQL-BDAKNGLRSA-N 2 1 292.757 3.157 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2C2CCC2)CC[NH2+]1 ZINC000647553184 392765431 /nfs/dbraw/zinc/76/54/31/392765431.db2.gz GTLBWJZHQSSFLV-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCSC(C)(C)C)C2)CC1 ZINC000374849392 392708375 /nfs/dbraw/zinc/70/83/75/392708375.db2.gz CUNAOIYYEUZMHE-UHFFFAOYSA-N 2 1 284.513 3.326 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000181117936 392718853 /nfs/dbraw/zinc/71/88/53/392718853.db2.gz JDJGZGYEJXBGTH-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647936757 392837695 /nfs/dbraw/zinc/83/76/95/392837695.db2.gz KTKGWYXOSHRGCY-IUODEOHRSA-N 2 1 298.883 3.491 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2c(C)cccc2C)CC[C@H]1[NH3+] ZINC000647937134 392839745 /nfs/dbraw/zinc/83/97/45/392839745.db2.gz RHHDLCKPPXOYOD-IAGOWNOFSA-N 2 1 290.451 3.132 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000375791639 392820465 /nfs/dbraw/zinc/82/04/65/392820465.db2.gz YQMUXIZKSYDJIL-NFAWXSAZSA-N 2 1 293.480 3.229 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000375791639 392820468 /nfs/dbraw/zinc/82/04/68/392820468.db2.gz YQMUXIZKSYDJIL-NFAWXSAZSA-N 2 1 293.480 3.229 20 0 CGADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881002 392822220 /nfs/dbraw/zinc/82/22/20/392822220.db2.gz PZKWMVBTUWUGRK-WBVHZDCISA-N 2 1 258.409 3.213 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647881230 392822745 /nfs/dbraw/zinc/82/27/45/392822745.db2.gz XJSZEJZCERJIJH-CHWSQXEVSA-N 2 1 278.827 3.475 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375808062 392823666 /nfs/dbraw/zinc/82/36/66/392823666.db2.gz RNWLKSYERBFFNL-KFWWJZLASA-N 2 1 293.842 3.006 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000647883312 392824625 /nfs/dbraw/zinc/82/46/25/392824625.db2.gz DBJCNESDHGUICL-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000647890005 392827452 /nfs/dbraw/zinc/82/74/52/392827452.db2.gz FIWRHQKRTHNIJI-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP CC(C)(C[NH2+]Cc1scnc1C1CC1)C[NH+]1CCCC1 ZINC000487199271 542710240 /nfs/dbraw/zinc/71/02/40/542710240.db2.gz LAHPRUIGSXFIBU-UHFFFAOYSA-N 2 1 293.480 3.232 20 0 CGADMP FC(F)(F)CC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647990009 392858388 /nfs/dbraw/zinc/85/83/88/392858388.db2.gz QFAOIKSIZCXZJX-AWEZNQCLSA-N 2 1 286.341 3.051 20 0 CGADMP FC(F)(F)CC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647990009 392858390 /nfs/dbraw/zinc/85/83/90/392858390.db2.gz QFAOIKSIZCXZJX-AWEZNQCLSA-N 2 1 286.341 3.051 20 0 CGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392184852 392930085 /nfs/dbraw/zinc/93/00/85/392930085.db2.gz CMQCNCLTRRAUJR-DLBZAZTESA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000459496446 392945180 /nfs/dbraw/zinc/94/51/80/392945180.db2.gz XNGFPFKOSUMNNJ-BEFAXECRSA-N 2 1 284.447 3.264 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000459496446 392945191 /nfs/dbraw/zinc/94/51/91/392945191.db2.gz XNGFPFKOSUMNNJ-BEFAXECRSA-N 2 1 284.447 3.264 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000459496446 392945198 /nfs/dbraw/zinc/94/51/98/392945198.db2.gz XNGFPFKOSUMNNJ-BEFAXECRSA-N 2 1 284.447 3.264 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000513756565 542732703 /nfs/dbraw/zinc/73/27/03/542732703.db2.gz YVOCPTFSFXYANM-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459743108 392953360 /nfs/dbraw/zinc/95/33/60/392953360.db2.gz WESIWNPGUHTVAC-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000403264207 392957354 /nfs/dbraw/zinc/95/73/54/392957354.db2.gz YQRKDWKXJUBSCO-JENIJYKNSA-N 2 1 284.447 3.429 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648413266 393004640 /nfs/dbraw/zinc/00/46/40/393004640.db2.gz PMWOCLCHTRJBEQ-KXBFYZLASA-N 2 1 297.446 3.365 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H](CC(C)C)[NH+](CC)CC)CCO1 ZINC000648416088 393006243 /nfs/dbraw/zinc/00/62/43/393006243.db2.gz NTIKDABHUGMVCI-IXDOHACOSA-N 2 1 284.488 3.290 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC000227375831 393015310 /nfs/dbraw/zinc/01/53/10/393015310.db2.gz PIHXUNABCXDRDM-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC000227375831 393015312 /nfs/dbraw/zinc/01/53/12/393015312.db2.gz PIHXUNABCXDRDM-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C[C@@H]1c1ccccc1 ZINC000415003958 393087408 /nfs/dbraw/zinc/08/74/08/393087408.db2.gz PPTOSEJFOLZZGM-QCEMKRCNSA-N 2 1 294.389 3.013 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415008451 393091599 /nfs/dbraw/zinc/09/15/99/393091599.db2.gz MOWWEXBYQKOFPZ-SFYZADRCSA-N 2 1 280.721 3.184 20 0 CGADMP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@H](C)[NH3+] ZINC000415011548 393094994 /nfs/dbraw/zinc/09/49/94/393094994.db2.gz QRYBHKIATBRODP-NWDGAFQWSA-N 2 1 260.406 3.240 20 0 CGADMP Cc1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)cc1 ZINC000415030635 393105242 /nfs/dbraw/zinc/10/52/42/393105242.db2.gz FEHNXMZYTDSJCQ-QLPKVWCKSA-N 2 1 284.428 3.031 20 0 CGADMP Clc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415032355 393105299 /nfs/dbraw/zinc/10/52/99/393105299.db2.gz AEIGHYLJCVRCDE-WCQYABFASA-N 2 1 284.856 3.366 20 0 CGADMP Clc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415032355 393105303 /nfs/dbraw/zinc/10/53/03/393105303.db2.gz AEIGHYLJCVRCDE-WCQYABFASA-N 2 1 284.856 3.366 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414177616 393042223 /nfs/dbraw/zinc/04/22/23/393042223.db2.gz JXVASIMTGGQRLA-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414951693 393060205 /nfs/dbraw/zinc/06/02/05/393060205.db2.gz PYRJVZDEPZLSFK-WCQYABFASA-N 2 1 266.816 3.133 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414963636 393069872 /nfs/dbraw/zinc/06/98/72/393069872.db2.gz UJFQMALLZSZKPJ-NWDGAFQWSA-N 2 1 254.805 3.031 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000415053650 393114557 /nfs/dbraw/zinc/11/45/57/393114557.db2.gz OYLVLOSCFWNXGE-SJLPKXTDSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251439608 393118312 /nfs/dbraw/zinc/11/83/12/393118312.db2.gz AUXLGLIRBRPIIP-QJPTWQEYSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251439608 393118315 /nfs/dbraw/zinc/11/83/15/393118315.db2.gz AUXLGLIRBRPIIP-QJPTWQEYSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000415059507 393120290 /nfs/dbraw/zinc/12/02/90/393120290.db2.gz XAUNELWGPBOFEA-ZOCIIQOWSA-N 2 1 298.405 3.274 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000348341801 393121351 /nfs/dbraw/zinc/12/13/51/393121351.db2.gz RUFLPIIQDFFMCK-DLBZAZTESA-N 2 1 272.436 3.254 20 0 CGADMP CCSc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415064737 393124699 /nfs/dbraw/zinc/12/46/99/393124699.db2.gz LIOXZSFRLJPCII-MRXNPFEDSA-N 2 1 278.465 3.406 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc2cccnc12 ZINC000415068242 393125742 /nfs/dbraw/zinc/12/57/42/393125742.db2.gz QVVZWTIEWPTMMZ-QGZVFWFLSA-N 2 1 283.419 3.150 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc2cccnc12 ZINC000415068241 393126886 /nfs/dbraw/zinc/12/68/86/393126886.db2.gz QVVZWTIEWPTMMZ-KRWDZBQOSA-N 2 1 283.419 3.150 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415080271 393134019 /nfs/dbraw/zinc/13/40/19/393134019.db2.gz JEHKGNZFIMZWBN-OALUTQOASA-N 2 1 298.405 3.451 20 0 CGADMP c1ccc(C(CC[NH2+][C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000415090717 393142893 /nfs/dbraw/zinc/14/28/93/393142893.db2.gz ZJDWAWJGKUJKHF-SFHVURJKSA-N 2 1 280.415 3.160 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000415094169 393143078 /nfs/dbraw/zinc/14/30/78/393143078.db2.gz WYEAOLZKANPASO-CRAIPNDOSA-N 2 1 280.415 3.159 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CCCCC2)CC1 ZINC000261953083 393143331 /nfs/dbraw/zinc/14/33/31/393143331.db2.gz OHLNGZMAZFQKNN-MRXNPFEDSA-N 2 1 264.457 3.422 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000415116120 393149402 /nfs/dbraw/zinc/14/94/02/393149402.db2.gz VSDSAZYIBWZEKQ-STQMWFEESA-N 2 1 278.827 3.086 20 0 CGADMP C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000415119828 393151314 /nfs/dbraw/zinc/15/13/14/393151314.db2.gz XPVKACMIXGUFAD-CYBMUJFWSA-N 2 1 273.207 3.083 20 0 CGADMP Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c2cc(F)ccc2[nH+]1 ZINC000352090400 393198171 /nfs/dbraw/zinc/19/81/71/393198171.db2.gz ZMLPEPNCGBLEAS-SCLBCKFNSA-N 2 1 299.393 3.213 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000268856828 393206074 /nfs/dbraw/zinc/20/60/74/393206074.db2.gz LLTVANBVETYQJZ-HNNXBMFYSA-N 2 1 287.432 3.408 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000648870673 393278850 /nfs/dbraw/zinc/27/88/50/393278850.db2.gz IQDOJURCORYQMQ-ZDUSSCGKSA-N 2 1 266.454 3.143 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000648870673 393278858 /nfs/dbraw/zinc/27/88/58/393278858.db2.gz IQDOJURCORYQMQ-ZDUSSCGKSA-N 2 1 266.454 3.143 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420383604 393480458 /nfs/dbraw/zinc/48/04/58/393480458.db2.gz DLAOGNCEQWPQGA-AEFFLSMTSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@@H]1CCC[N@H+]1Cc1cccc(C2=CC[NH2+]CC2)c1 ZINC000649443013 393433094 /nfs/dbraw/zinc/43/30/94/393433094.db2.gz IJMILCUORUTIFO-CQSZACIVSA-N 2 1 256.393 3.048 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000480660663 393435719 /nfs/dbraw/zinc/43/57/19/393435719.db2.gz GLWRQMGFSJHGMP-RHSMWYFYSA-N 2 1 260.425 3.240 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420288498 393450506 /nfs/dbraw/zinc/45/05/06/393450506.db2.gz IYBORDFEYURFCZ-JDFRZJQESA-N 2 1 276.399 3.262 20 0 CGADMP COc1cccc2c(NC[C@H]3CCC[C@H]([NH3+])C3)cc(C)[nH+]c12 ZINC000420292567 393451333 /nfs/dbraw/zinc/45/13/33/393451333.db2.gz WWHZIWQRPNWQGS-KBPBESRZSA-N 2 1 299.418 3.481 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420296066 393452868 /nfs/dbraw/zinc/45/28/68/393452868.db2.gz CZGXMRQRNRWGJW-AEFFLSMTSA-N 2 1 272.436 3.040 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420299553 393453009 /nfs/dbraw/zinc/45/30/09/393453009.db2.gz GVIGEIMYWYRBPB-MAUKXSAKSA-N 2 1 288.435 3.222 20 0 CGADMP CCC[C@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296369 393453239 /nfs/dbraw/zinc/45/32/39/393453239.db2.gz DKJGAHKRCCREDS-RDJZCZTQSA-N 2 1 290.451 3.250 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301093 393456170 /nfs/dbraw/zinc/45/61/70/393456170.db2.gz IJEFAWYXQFWREN-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420304424 393458218 /nfs/dbraw/zinc/45/82/18/393458218.db2.gz OLPBINHSDSZXAX-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)s1 ZINC000420308989 393459082 /nfs/dbraw/zinc/45/90/82/393459082.db2.gz SSOUUGURHNGRPT-KBPBESRZSA-N 2 1 264.438 3.193 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1C ZINC000420309408 393459852 /nfs/dbraw/zinc/45/98/52/393459852.db2.gz TVRAPWCXXLVWOJ-AEFFLSMTSA-N 2 1 272.436 3.440 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429008629 393465634 /nfs/dbraw/zinc/46/56/34/393465634.db2.gz XYURDFAHQQXMNN-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429008629 393465641 /nfs/dbraw/zinc/46/56/41/393465641.db2.gz XYURDFAHQQXMNN-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429008629 393465647 /nfs/dbraw/zinc/46/56/47/393465647.db2.gz XYURDFAHQQXMNN-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP c1ccc(C[C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420321263 393466011 /nfs/dbraw/zinc/46/60/11/393466011.db2.gz RBIVYNLXXIMEFD-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329679 393470486 /nfs/dbraw/zinc/47/04/86/393470486.db2.gz OROZAEWRFBWMAT-RDBSUJKOSA-N 2 1 294.389 3.347 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420332241 393470695 /nfs/dbraw/zinc/47/06/95/393470695.db2.gz RQJILPFBNNURHI-HOTGVXAUSA-N 2 1 278.465 3.002 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C)CC1(OC)CCC1)[NH+](C)C ZINC000429524549 393473150 /nfs/dbraw/zinc/47/31/50/393473150.db2.gz XFZRXDPMTDUXPD-ZBFHGGJFSA-N 2 1 284.488 3.290 20 0 CGADMP C(C[N@H+]1CCCC2(CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420361131 393474716 /nfs/dbraw/zinc/47/47/16/393474716.db2.gz MSLCEIQZGYXEKA-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCSc1ccccc1)C1CCCCC1 ZINC000420377386 393477815 /nfs/dbraw/zinc/47/78/15/393477815.db2.gz WFWOHVZQLAGUPT-INIZCTEOSA-N 2 1 278.465 3.276 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Cl)c(F)c1 ZINC000420377531 393478568 /nfs/dbraw/zinc/47/85/68/393478568.db2.gz SFWMTSNQKLJQPI-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP c1csc([C@@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)n1 ZINC000359221293 393540312 /nfs/dbraw/zinc/54/03/12/393540312.db2.gz OSJIRMFQBYCHCF-AWEZNQCLSA-N 2 1 279.453 3.060 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C[C@H]1C[NH3+] ZINC000420414116 393486754 /nfs/dbraw/zinc/48/67/54/393486754.db2.gz UJJZOJZYRJFIOT-XHBSWPGZSA-N 2 1 278.827 3.244 20 0 CGADMP Cc1cccc2c1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000429600125 393492160 /nfs/dbraw/zinc/49/21/60/393492160.db2.gz SSXKVROPWUYHGM-UHFFFAOYSA-N 2 1 272.436 3.229 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430125664 393527634 /nfs/dbraw/zinc/52/76/34/393527634.db2.gz CLQMYPYAVVESJI-MJGOQNOKSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430125664 393527638 /nfs/dbraw/zinc/52/76/38/393527638.db2.gz CLQMYPYAVVESJI-MJGOQNOKSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430125664 393527645 /nfs/dbraw/zinc/52/76/45/393527645.db2.gz CLQMYPYAVVESJI-MJGOQNOKSA-N 2 1 286.463 3.283 20 0 CGADMP CC(C)C1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000488508007 393529760 /nfs/dbraw/zinc/52/97/60/393529760.db2.gz SBDUABHXKHDNKU-UHFFFAOYSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146680 393530158 /nfs/dbraw/zinc/53/01/58/393530158.db2.gz HMMHWLAYDGLUIR-KRWDZBQOSA-N 2 1 288.366 3.100 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146680 393530164 /nfs/dbraw/zinc/53/01/64/393530164.db2.gz HMMHWLAYDGLUIR-KRWDZBQOSA-N 2 1 288.366 3.100 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146680 393530166 /nfs/dbraw/zinc/53/01/66/393530166.db2.gz HMMHWLAYDGLUIR-KRWDZBQOSA-N 2 1 288.366 3.100 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000488783895 393555281 /nfs/dbraw/zinc/55/52/81/393555281.db2.gz MCTCZNQDNBHRHQ-BGYRXZFFSA-N 2 1 292.426 3.347 20 0 CGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430560007 393574566 /nfs/dbraw/zinc/57/45/66/393574566.db2.gz YFECTLWEYYFRMR-DLBZAZTESA-N 2 1 290.451 3.132 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000430552310 393574970 /nfs/dbraw/zinc/57/49/70/393574970.db2.gz JXROJRJWLQQQDM-RYUDHWBXSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000430552310 393574979 /nfs/dbraw/zinc/57/49/79/393574979.db2.gz JXROJRJWLQQQDM-RYUDHWBXSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000430572201 393577053 /nfs/dbraw/zinc/57/70/53/393577053.db2.gz NPJXBVHXALHSRA-RDJZCZTQSA-N 2 1 298.430 3.278 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000649740978 393569685 /nfs/dbraw/zinc/56/96/85/393569685.db2.gz ZHPRGEVIFCKOCV-CJNGLKHVSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1F ZINC000649740978 393569689 /nfs/dbraw/zinc/56/96/89/393569689.db2.gz ZHPRGEVIFCKOCV-CJNGLKHVSA-N 2 1 264.388 3.351 20 0 CGADMP c1nc(C2CCCC2)sc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855328 542820832 /nfs/dbraw/zinc/82/08/32/542820832.db2.gz MOARTRZPXSIFBV-CYBMUJFWSA-N 2 1 279.453 3.032 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857800 542821717 /nfs/dbraw/zinc/82/17/17/542821717.db2.gz JMMJJUGOFKPMMQ-CYBMUJFWSA-N 2 1 266.816 3.134 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000360943208 393620416 /nfs/dbraw/zinc/62/04/16/393620416.db2.gz SDKBLHBMVWSIFI-MRXNPFEDSA-N 2 1 285.391 3.003 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490040640 393628279 /nfs/dbraw/zinc/62/82/79/393628279.db2.gz QOJDMYPCQTURCF-MJGOQNOKSA-N 2 1 286.463 3.331 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421864680 393637114 /nfs/dbraw/zinc/63/71/14/393637114.db2.gz ZVJBESDCPQMYMN-NVXWUHKLSA-N 2 1 289.467 3.039 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421864680 393637117 /nfs/dbraw/zinc/63/71/17/393637117.db2.gz ZVJBESDCPQMYMN-NVXWUHKLSA-N 2 1 289.467 3.039 20 0 CGADMP C[C@H]([NH2+]CCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422742333 393640802 /nfs/dbraw/zinc/64/08/02/393640802.db2.gz RLRWOVHLCSHPLN-HZMBPMFUSA-N 2 1 287.234 3.266 20 0 CGADMP CCC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1F ZINC000422875834 393645448 /nfs/dbraw/zinc/64/54/48/393645448.db2.gz PMYQKCHQFLFILA-BONVTDFDSA-N 2 1 268.351 3.004 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CCCCC1 ZINC000423272165 393657419 /nfs/dbraw/zinc/65/74/19/393657419.db2.gz YUYWTULQVADLOU-IRXDYDNUSA-N 2 1 276.399 3.310 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423288092 393658713 /nfs/dbraw/zinc/65/87/13/393658713.db2.gz QLJJPSQIHSJJQJ-QGZVFWFLSA-N 2 1 286.394 3.436 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423452419 393667394 /nfs/dbraw/zinc/66/73/94/393667394.db2.gz WGOYLGSEUJSCEX-PKFCDNJMSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423454105 393667540 /nfs/dbraw/zinc/66/75/40/393667540.db2.gz YOFTZGSJKHYHDA-DCGLDWPTSA-N 2 1 288.435 3.104 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)C1CCCC1 ZINC000423505839 393671238 /nfs/dbraw/zinc/67/12/38/393671238.db2.gz HJVQCLKOIVSADT-GJZGRUSLSA-N 2 1 294.439 3.470 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000425385196 393694640 /nfs/dbraw/zinc/69/46/40/393694640.db2.gz REBSSLZFSDLHQO-OWCLPIDISA-N 2 1 282.497 3.267 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000425385196 393694646 /nfs/dbraw/zinc/69/46/46/393694646.db2.gz REBSSLZFSDLHQO-OWCLPIDISA-N 2 1 282.497 3.267 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000499548169 393799983 /nfs/dbraw/zinc/79/99/83/393799983.db2.gz KLOUJLFAJIUZOL-PMPSAXMXSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000499548169 393799987 /nfs/dbraw/zinc/79/99/87/393799987.db2.gz KLOUJLFAJIUZOL-PMPSAXMXSA-N 2 1 254.462 3.331 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000500419175 393828387 /nfs/dbraw/zinc/82/83/87/393828387.db2.gz FXBBJFZSTLQEGC-HNNXBMFYSA-N 2 1 290.451 3.079 20 0 CGADMP CC[NH+]1CCC(Nc2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000501861179 393863430 /nfs/dbraw/zinc/86/34/30/393863430.db2.gz IEOPIRBNLZORTH-UHFFFAOYSA-N 2 1 283.419 3.170 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000502719698 393883125 /nfs/dbraw/zinc/88/31/25/393883125.db2.gz FIISUZQXGPILJQ-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000502719698 393883128 /nfs/dbraw/zinc/88/31/28/393883128.db2.gz FIISUZQXGPILJQ-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560971 393904185 /nfs/dbraw/zinc/90/41/85/393904185.db2.gz REOXUESBSKWYFN-BMRXWSCTSA-N 2 1 250.430 3.026 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCCC2(F)F)CC1 ZINC000450472682 393998061 /nfs/dbraw/zinc/99/80/61/393998061.db2.gz XYMAMIAISHIUAZ-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCCC2(F)F)CC1 ZINC000450472682 393998067 /nfs/dbraw/zinc/99/80/67/393998067.db2.gz XYMAMIAISHIUAZ-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453087300 394167123 /nfs/dbraw/zinc/16/71/23/394167123.db2.gz YVIKVNLAXDKESC-INIZCTEOSA-N 2 1 277.456 3.113 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228742 394213095 /nfs/dbraw/zinc/21/30/95/394213095.db2.gz BYMUYTSMDIHTQV-LQAWEQHXSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228742 394213099 /nfs/dbraw/zinc/21/30/99/394213099.db2.gz BYMUYTSMDIHTQV-LQAWEQHXSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398329 394232476 /nfs/dbraw/zinc/23/24/76/394232476.db2.gz KNSBIQRIALWAIL-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1N(C)C ZINC000453417525 394240907 /nfs/dbraw/zinc/24/09/07/394240907.db2.gz XTTKTAINLGRANW-OAHLLOKOSA-N 2 1 289.467 3.278 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000453451697 394247322 /nfs/dbraw/zinc/24/73/22/394247322.db2.gz RQNAYYKPNCGFGZ-YHUYYLMFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](c1ccco1)N(C)Cc1ccnn1-c1ccncc1 ZINC000667499412 542878561 /nfs/dbraw/zinc/87/85/61/542878561.db2.gz JIKVZSROLVJAOY-ZDUSSCGKSA-N 2 1 282.347 3.053 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000284078916 195975348 /nfs/dbraw/zinc/97/53/48/195975348.db2.gz AZWYAWMAUYDSAM-JXFKEZNVSA-N 2 1 298.474 3.390 20 0 CGADMP Cc1[nH+]cc(CN2CC[C@@](F)(c3ccccc3C)C2)n1C ZINC000668106993 542971570 /nfs/dbraw/zinc/97/15/70/542971570.db2.gz RWYKJJYJLQQDRJ-KRWDZBQOSA-N 2 1 287.382 3.108 20 0 CGADMP Cc1[nH+]cc(CN2CC[C@](F)(c3ccccc3C)C2)n1C ZINC000668106994 542971872 /nfs/dbraw/zinc/97/18/72/542971872.db2.gz RWYKJJYJLQQDRJ-QGZVFWFLSA-N 2 1 287.382 3.108 20 0 CGADMP CC1(C2CC2)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668177661 542982692 /nfs/dbraw/zinc/98/26/92/542982692.db2.gz BJPIOIYHSYTGAW-UHFFFAOYSA-N 2 1 296.418 3.279 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000668818551 543066108 /nfs/dbraw/zinc/06/61/08/543066108.db2.gz JCRWXPAWFQXQPI-KRWDZBQOSA-N 2 1 298.474 3.113 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CS1 ZINC000668818755 543066398 /nfs/dbraw/zinc/06/63/98/543066398.db2.gz KSTMLWKBWSAMHS-ULQDDVLXSA-N 2 1 296.524 3.228 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000670262002 543146211 /nfs/dbraw/zinc/14/62/11/543146211.db2.gz BFJQKIVPYAWCAA-AWEZNQCLSA-N 2 1 254.462 3.473 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000671746907 543185242 /nfs/dbraw/zinc/18/52/42/543185242.db2.gz VKDMHEKPFGDOSE-BZSNNMDCSA-N 2 1 290.426 3.221 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC2(C)C)C1 ZINC000551789486 289132756 /nfs/dbraw/zinc/13/27/56/289132756.db2.gz OQAAOKNGWHOCKM-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC2(C)C)C1 ZINC000551789486 289132760 /nfs/dbraw/zinc/13/27/60/289132760.db2.gz OQAAOKNGWHOCKM-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037916121 397609760 /nfs/dbraw/zinc/60/97/60/397609760.db2.gz DUTJWLWBKYVHBZ-HIFRSBDPSA-N 2 1 264.438 3.021 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@H+](C)Cc1cncn1C ZINC000649819717 397728346 /nfs/dbraw/zinc/72/83/46/397728346.db2.gz BWCHNSBCHSADCJ-UHFFFAOYSA-N 2 1 283.375 3.415 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649834710 397733175 /nfs/dbraw/zinc/73/31/75/397733175.db2.gz PHUMUFNGIWKTLV-OAHLLOKOSA-N 2 1 283.419 3.243 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649834710 397733177 /nfs/dbraw/zinc/73/31/77/397733177.db2.gz PHUMUFNGIWKTLV-OAHLLOKOSA-N 2 1 283.419 3.243 20 0 CGADMP Fc1ccccc1C[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000650512960 397861231 /nfs/dbraw/zinc/86/12/31/397861231.db2.gz BWEOACLFLQVIDL-QGZVFWFLSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708284 397898461 /nfs/dbraw/zinc/89/84/61/397898461.db2.gz WYLJORPTSXUVKI-ZBRFXRBCSA-N 2 1 294.483 3.031 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC2CCCCCC2)C1 ZINC000650723531 397902501 /nfs/dbraw/zinc/90/25/01/397902501.db2.gz PSSQPZNVLLBEMU-SQNIBIBYSA-N 2 1 294.483 3.318 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000675638140 543349995 /nfs/dbraw/zinc/34/99/95/543349995.db2.gz QUSGPVIGZPSDEE-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000675732911 543358431 /nfs/dbraw/zinc/35/84/31/543358431.db2.gz NPNQNVCSXZCFNO-WMZOPIPTSA-N 2 1 274.452 3.308 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882649 543370231 /nfs/dbraw/zinc/37/02/31/543370231.db2.gz TZZVOAAEOFGGHO-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000675883208 543370371 /nfs/dbraw/zinc/37/03/71/543370371.db2.gz XZGSVXVDSYCHGD-CJNGLKHVSA-N 2 1 294.464 3.042 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000676211643 543387139 /nfs/dbraw/zinc/38/71/39/543387139.db2.gz CRWDWDLSAWDKJV-KBPBESRZSA-N 2 1 268.470 3.389 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000676211643 543387141 /nfs/dbraw/zinc/38/71/41/543387141.db2.gz CRWDWDLSAWDKJV-KBPBESRZSA-N 2 1 268.470 3.389 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678153067 543489363 /nfs/dbraw/zinc/48/93/63/543489363.db2.gz YPCUPXIJHUEUPY-UHFFFAOYSA-N 2 1 258.409 3.090 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1C2CCCC1CCC2 ZINC000678079214 543481775 /nfs/dbraw/zinc/48/17/75/543481775.db2.gz QMDZQGNQDXQXSO-UHFFFAOYSA-N 2 1 261.413 3.379 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678217361 543495011 /nfs/dbraw/zinc/49/50/11/543495011.db2.gz SKIRBBWZKPXALL-INIZCTEOSA-N 2 1 290.451 3.249 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000678596969 543540195 /nfs/dbraw/zinc/54/01/95/543540195.db2.gz XPCLNSXVRXYRQW-XJKCOSOUSA-N 2 1 296.842 3.100 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+](C)C)C2CCC2)o1 ZINC000425936460 292260190 /nfs/dbraw/zinc/26/01/90/292260190.db2.gz MVVKVJGMTRWRIA-BLLLJJGKSA-N 2 1 264.413 3.217 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC1(C)C ZINC000487275390 287019027 /nfs/dbraw/zinc/01/90/27/287019027.db2.gz WBFKLQFTVWRCSJ-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2C)CC1 ZINC000077249549 287038496 /nfs/dbraw/zinc/03/84/96/287038496.db2.gz IFERVRGOERSXPM-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2C)CC1 ZINC000077249549 287038502 /nfs/dbraw/zinc/03/85/02/287038502.db2.gz IFERVRGOERSXPM-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ncsc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000088869808 165195902 /nfs/dbraw/zinc/19/59/02/165195902.db2.gz VAGLPBXYIZUGSP-UHFFFAOYSA-N 2 1 281.469 3.196 20 0 CGADMP Cc1ncsc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000088869808 165195903 /nfs/dbraw/zinc/19/59/03/165195903.db2.gz VAGLPBXYIZUGSP-UHFFFAOYSA-N 2 1 281.469 3.196 20 0 CGADMP CCc1cc(N[C@@H](C)CCC[NH+](CC)CC)nc(C)[nH+]1 ZINC000088760112 165196638 /nfs/dbraw/zinc/19/66/38/165196638.db2.gz VTYSMWTWIBLJOT-ZDUSSCGKSA-N 2 1 278.444 3.270 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccccn1 ZINC000093496612 165329733 /nfs/dbraw/zinc/32/97/33/165329733.db2.gz LCSOLYFWSSTYCE-QLFBSQMISA-N 2 1 261.413 3.043 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522167 165352563 /nfs/dbraw/zinc/35/25/63/165352563.db2.gz MWPVAGNCZMTLJW-GUYCJALGSA-N 2 1 258.409 3.123 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000094826060 165392373 /nfs/dbraw/zinc/39/23/73/165392373.db2.gz AWUSQGBXLJNWJB-GFCCVEGCSA-N 2 1 270.367 3.347 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000093597650 287117485 /nfs/dbraw/zinc/11/74/85/287117485.db2.gz AXMJYDGMSOFYAU-QGZVFWFLSA-N 2 1 272.436 3.221 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000093639064 287118353 /nfs/dbraw/zinc/11/83/53/287118353.db2.gz WEDDRNKGUDEUIP-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000093639064 287118355 /nfs/dbraw/zinc/11/83/55/287118355.db2.gz WEDDRNKGUDEUIP-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000093639064 287118357 /nfs/dbraw/zinc/11/83/57/287118357.db2.gz WEDDRNKGUDEUIP-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245086 287141314 /nfs/dbraw/zinc/14/13/14/287141314.db2.gz ZAGVLGYQAQXOBZ-UONOGXRCSA-N 2 1 254.377 3.181 20 0 CGADMP Fc1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261931347 165843463 /nfs/dbraw/zinc/84/34/63/165843463.db2.gz CTWVXABLLUOPGO-UHFFFAOYSA-N 2 1 282.790 3.055 20 0 CGADMP CC[C@H]1CCCC[C@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000120724674 287186028 /nfs/dbraw/zinc/18/60/28/287186028.db2.gz YPNBUYDCZCIOIT-JKSUJKDBSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000120724674 287186030 /nfs/dbraw/zinc/18/60/30/287186030.db2.gz YPNBUYDCZCIOIT-JKSUJKDBSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119737736 287213827 /nfs/dbraw/zinc/21/38/27/287213827.db2.gz QFWBSMNLXJWQBY-CZUORRHYSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCCCC1 ZINC000125278869 287242062 /nfs/dbraw/zinc/24/20/62/287242062.db2.gz CCOZRFWLPGQAGU-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000020189940 171056435 /nfs/dbraw/zinc/05/64/35/171056435.db2.gz UHQJHHNRJGHZLZ-CYBMUJFWSA-N 2 1 264.388 3.351 20 0 CGADMP C[N@H+](Cc1cnc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285509128 196308203 /nfs/dbraw/zinc/30/82/03/196308203.db2.gz NHHFVVTVRJEBRS-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[N@@H+](Cc1cnc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285509128 196308204 /nfs/dbraw/zinc/30/82/04/196308204.db2.gz NHHFVVTVRJEBRS-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cnc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285509128 196308206 /nfs/dbraw/zinc/30/82/06/196308206.db2.gz NHHFVVTVRJEBRS-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1cnc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285509128 196308208 /nfs/dbraw/zinc/30/82/08/196308208.db2.gz NHHFVVTVRJEBRS-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000285568273 196329493 /nfs/dbraw/zinc/32/94/93/196329493.db2.gz VZNUZAUKFCCOQR-VSZDKKFSSA-N 2 1 292.373 3.052 20 0 CGADMP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)s1 ZINC000285577624 196333390 /nfs/dbraw/zinc/33/33/90/196333390.db2.gz SYXMSCJATZYLLZ-XYPWUTKMSA-N 2 1 278.465 3.422 20 0 CGADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)s1 ZINC000285577624 196333392 /nfs/dbraw/zinc/33/33/92/196333392.db2.gz SYXMSCJATZYLLZ-XYPWUTKMSA-N 2 1 278.465 3.422 20 0 CGADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)s1 ZINC000285577624 196333393 /nfs/dbraw/zinc/33/33/93/196333393.db2.gz SYXMSCJATZYLLZ-XYPWUTKMSA-N 2 1 278.465 3.422 20 0 CGADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)s1 ZINC000285577624 196333395 /nfs/dbraw/zinc/33/33/95/196333395.db2.gz SYXMSCJATZYLLZ-XYPWUTKMSA-N 2 1 278.465 3.422 20 0 CGADMP C[NH+]1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000037248232 173061517 /nfs/dbraw/zinc/06/15/17/173061517.db2.gz AQRSKINNRXWTRC-UHFFFAOYSA-N 2 1 275.783 3.394 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000037267163 173077862 /nfs/dbraw/zinc/07/78/62/173077862.db2.gz MEYHWVWHKNKHIE-LLVKDONJSA-N 2 1 297.240 3.194 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CCC[NH2+]CC2)CC1 ZINC000038086849 174097878 /nfs/dbraw/zinc/09/78/78/174097878.db2.gz IWFMWGANDQASFN-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2cccc(C)c2)CC1 ZINC000040500905 174296873 /nfs/dbraw/zinc/29/68/73/174296873.db2.gz ZLVLXYRUXZPSQQ-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000040592056 174347484 /nfs/dbraw/zinc/34/74/84/174347484.db2.gz VKPGXLJMUIUMRK-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000040592074 174347632 /nfs/dbraw/zinc/34/76/32/174347632.db2.gz RZTPLXACWULQIW-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000040592074 174347633 /nfs/dbraw/zinc/34/76/33/174347633.db2.gz RZTPLXACWULQIW-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000040592197 174347957 /nfs/dbraw/zinc/34/79/57/174347957.db2.gz GCZMPMUOJQLIAY-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000040592197 174347958 /nfs/dbraw/zinc/34/79/58/174347958.db2.gz GCZMPMUOJQLIAY-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2ccsc2Cl)[C@@H]1CC[NH3+] ZINC000405231346 416558995 /nfs/dbraw/zinc/55/89/95/416558995.db2.gz QXOBSRRKKOQLCZ-CMPLNLGQSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccsc2Cl)[C@@H]1CC[NH3+] ZINC000405231346 416558998 /nfs/dbraw/zinc/55/89/98/416558998.db2.gz QXOBSRRKKOQLCZ-CMPLNLGQSA-N 2 1 272.845 3.351 20 0 CGADMP CC(C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679722217 543658498 /nfs/dbraw/zinc/65/84/98/543658498.db2.gz ZNEGMWSZZOKIJE-FGTMMUONSA-N 2 1 272.436 3.285 20 0 CGADMP CCC(C)(C)[NH+](C)CC1(C[N@H+](C)C(C)(C)CC)COC1 ZINC000679853428 543665967 /nfs/dbraw/zinc/66/59/67/543665967.db2.gz DGFJPCDUZWMLAP-UHFFFAOYSA-N 2 1 284.488 3.244 20 0 CGADMP Cc1cc(N2CCC[N@@H+](Cc3ccccc3C)CC2)cc[nH+]1 ZINC000681378074 543784722 /nfs/dbraw/zinc/78/47/22/543784722.db2.gz RGCQVNOSNDJCCE-UHFFFAOYSA-N 2 1 295.430 3.411 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078243 543823579 /nfs/dbraw/zinc/82/35/79/543823579.db2.gz WELSQXJKFDZYBL-NJAFHUGGSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078243 543823583 /nfs/dbraw/zinc/82/35/83/543823583.db2.gz WELSQXJKFDZYBL-NJAFHUGGSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078243 543823586 /nfs/dbraw/zinc/82/35/86/543823586.db2.gz WELSQXJKFDZYBL-NJAFHUGGSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000681755450 543806808 /nfs/dbraw/zinc/80/68/08/543806808.db2.gz VDUKZQYEZIZZOH-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832432 543945883 /nfs/dbraw/zinc/94/58/83/543945883.db2.gz SSYHNNMMFWQECL-OALUTQOASA-N 2 1 295.430 3.151 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683831025 543946540 /nfs/dbraw/zinc/94/65/40/543946540.db2.gz FHLYABCCUBWHIK-QGZVFWFLSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000683831025 543946542 /nfs/dbraw/zinc/94/65/42/543946542.db2.gz FHLYABCCUBWHIK-QGZVFWFLSA-N 2 1 297.446 3.399 20 0 CGADMP Oc1cccc2c(NC[C@H]3CCCC[N@H+]3C3CC3)cc[nH+]c12 ZINC000684589505 544016981 /nfs/dbraw/zinc/01/69/81/544016981.db2.gz CNLSQTVDTOQZRG-CQSZACIVSA-N 2 1 297.402 3.369 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000685455668 544073212 /nfs/dbraw/zinc/07/32/12/544073212.db2.gz GFOAADMKRRGNFD-GJZGRUSLSA-N 2 1 280.481 3.389 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1nccc2ccccc21 ZINC000685459988 544074444 /nfs/dbraw/zinc/07/44/44/544074444.db2.gz RIQYBUCFXIKFQJ-UHFFFAOYSA-N 2 1 271.408 3.008 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1nccc2ccccc21 ZINC000685459988 544074446 /nfs/dbraw/zinc/07/44/46/544074446.db2.gz RIQYBUCFXIKFQJ-UHFFFAOYSA-N 2 1 271.408 3.008 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1C1CC1 ZINC000685470469 544076540 /nfs/dbraw/zinc/07/65/40/544076540.db2.gz SSFVRIKGMXLRIO-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1C1CC1 ZINC000685470469 544076542 /nfs/dbraw/zinc/07/65/42/544076542.db2.gz SSFVRIKGMXLRIO-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1C1CC1 ZINC000685470469 544076544 /nfs/dbraw/zinc/07/65/44/544076544.db2.gz SSFVRIKGMXLRIO-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1C1CC1 ZINC000685470469 544076546 /nfs/dbraw/zinc/07/65/46/544076546.db2.gz SSFVRIKGMXLRIO-RDTXWAMCSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2cnccc2c1 ZINC000685470270 544076846 /nfs/dbraw/zinc/07/68/46/544076846.db2.gz CROXAUIGOYJNFH-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2cnccc2c1 ZINC000685470270 544076848 /nfs/dbraw/zinc/07/68/48/544076848.db2.gz CROXAUIGOYJNFH-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2cnccc2c1 ZINC000685470270 544076852 /nfs/dbraw/zinc/07/68/52/544076852.db2.gz CROXAUIGOYJNFH-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000685470270 544076854 /nfs/dbraw/zinc/07/68/54/544076854.db2.gz CROXAUIGOYJNFH-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)cc1 ZINC000352833930 227309052 /nfs/dbraw/zinc/30/90/52/227309052.db2.gz UCSLDJQTUYYPJT-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CC4CCC4)C3)C2)cc1 ZINC000352833930 227309058 /nfs/dbraw/zinc/30/90/58/227309058.db2.gz UCSLDJQTUYYPJT-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CC4CCC4)C3)C2)cc1 ZINC000352833930 227309062 /nfs/dbraw/zinc/30/90/62/227309062.db2.gz UCSLDJQTUYYPJT-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222843 418938977 /nfs/dbraw/zinc/93/89/77/418938977.db2.gz ZFSFKUKAHHWOCR-ZDUSSCGKSA-N 2 1 284.469 3.385 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222843 418938981 /nfs/dbraw/zinc/93/89/81/418938981.db2.gz ZFSFKUKAHHWOCR-ZDUSSCGKSA-N 2 1 284.469 3.385 20 0 CGADMP CC[N@@H+](CCCN[C@@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237351 418939528 /nfs/dbraw/zinc/93/95/28/418939528.db2.gz NCTSZHPGSSAYFC-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237351 418939533 /nfs/dbraw/zinc/93/95/33/418939533.db2.gz NCTSZHPGSSAYFC-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237351 418939536 /nfs/dbraw/zinc/93/95/36/418939536.db2.gz NCTSZHPGSSAYFC-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP Cc1c[nH+]ccc1N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000664364524 418942793 /nfs/dbraw/zinc/94/27/93/418942793.db2.gz RZLVKNORCIMXIX-GOSISDBHSA-N 2 1 295.430 3.143 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCC2CCCC2)C1 ZINC000652362304 418957976 /nfs/dbraw/zinc/95/79/76/418957976.db2.gz DIMDTPFXSYPUSF-KZNAEPCWSA-N 2 1 294.483 3.318 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc(C(C)(C)C)c1 ZINC000653298868 419025814 /nfs/dbraw/zinc/02/58/14/419025814.db2.gz OJSJTTUQQLYTCQ-HOCLYGCPSA-N 2 1 290.451 3.175 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000659924251 419034518 /nfs/dbraw/zinc/03/45/18/419034518.db2.gz DDTQZYXKMWZEHZ-INIZCTEOSA-N 2 1 260.425 3.194 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237435 419088169 /nfs/dbraw/zinc/08/81/69/419088169.db2.gz AUTSWJKFUOVVCM-CABCVRRESA-N 2 1 272.417 3.385 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cccc3Cl)CCCC1 ZINC000665249404 419091721 /nfs/dbraw/zinc/09/17/21/419091721.db2.gz PTGNUEQZWMPMHN-AWEZNQCLSA-N 2 1 264.800 3.188 20 0 CGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000665252153 419093841 /nfs/dbraw/zinc/09/38/41/419093841.db2.gz IPBXUQPLYFCFAU-ZSYWTGECSA-N 2 1 284.447 3.300 20 0 CGADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665290076 419107718 /nfs/dbraw/zinc/10/77/18/419107718.db2.gz IMOZTMPTSUKMML-DLBZAZTESA-N 2 1 264.457 3.371 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000665295216 419109240 /nfs/dbraw/zinc/10/92/40/419109240.db2.gz AJCHOIVOEQBGAM-CVEARBPZSA-N 2 1 282.431 3.405 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)C3CC3)CC[C@H]21 ZINC000653570676 419051795 /nfs/dbraw/zinc/05/17/95/419051795.db2.gz ZJCSCFMQHRMXAI-GOEBONIOSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000659983107 419053240 /nfs/dbraw/zinc/05/32/40/419053240.db2.gz DPFAXOUMTZTHOE-BFHYXJOUSA-N 2 1 276.415 3.472 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000659983107 419053242 /nfs/dbraw/zinc/05/32/42/419053242.db2.gz DPFAXOUMTZTHOE-BFHYXJOUSA-N 2 1 276.415 3.472 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000659983107 419053245 /nfs/dbraw/zinc/05/32/45/419053245.db2.gz DPFAXOUMTZTHOE-BFHYXJOUSA-N 2 1 276.415 3.472 20 0 CGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000653608144 419058076 /nfs/dbraw/zinc/05/80/76/419058076.db2.gz GPCIGZUAMWVTTQ-PVAVHDDUSA-N 2 1 277.456 3.403 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000656442996 419171714 /nfs/dbraw/zinc/17/17/14/419171714.db2.gz DULYCMMJIXWBRX-SFHVURJKSA-N 2 1 298.434 3.269 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccccn2)C1 ZINC000660632869 419172130 /nfs/dbraw/zinc/17/21/30/419172130.db2.gz XZNWAQHHXBFNEH-IAGOWNOFSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660632869 419172132 /nfs/dbraw/zinc/17/21/32/419172132.db2.gz XZNWAQHHXBFNEH-IAGOWNOFSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660632869 419172137 /nfs/dbraw/zinc/17/21/37/419172137.db2.gz XZNWAQHHXBFNEH-IAGOWNOFSA-N 2 1 287.451 3.135 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660659092 419177657 /nfs/dbraw/zinc/17/76/57/419177657.db2.gz MTZKQBOEHPYNOZ-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659092 419177660 /nfs/dbraw/zinc/17/76/60/419177660.db2.gz MTZKQBOEHPYNOZ-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659092 419177662 /nfs/dbraw/zinc/17/76/62/419177662.db2.gz MTZKQBOEHPYNOZ-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654769 419178096 /nfs/dbraw/zinc/17/80/96/419178096.db2.gz CRMBMKGRWDZOOZ-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654769 419178098 /nfs/dbraw/zinc/17/80/98/419178098.db2.gz CRMBMKGRWDZOOZ-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654769 419178099 /nfs/dbraw/zinc/17/80/99/419178099.db2.gz CRMBMKGRWDZOOZ-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCc1ccccc1)C2 ZINC000660656838 419178126 /nfs/dbraw/zinc/17/81/26/419178126.db2.gz VDFDNVGCLAQDCB-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000660656838 419178128 /nfs/dbraw/zinc/17/81/28/419178128.db2.gz VDFDNVGCLAQDCB-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000660656838 419178130 /nfs/dbraw/zinc/17/81/30/419178130.db2.gz VDFDNVGCLAQDCB-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1C=CCCCCC1)C2 ZINC000660662344 419178472 /nfs/dbraw/zinc/17/84/72/419178472.db2.gz IOGGLHUPGMOKKX-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000660662344 419178476 /nfs/dbraw/zinc/17/84/76/419178476.db2.gz IOGGLHUPGMOKKX-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1C=CCCCCC1)C2 ZINC000660662344 419178479 /nfs/dbraw/zinc/17/84/79/419178479.db2.gz IOGGLHUPGMOKKX-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP CC1CCC(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000660662039 419178882 /nfs/dbraw/zinc/17/88/82/419178882.db2.gz HAGDOYAHOLPFHT-OFLPRAFFSA-N 2 1 264.457 3.230 20 0 CGADMP CC1CCC(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000660662039 419178883 /nfs/dbraw/zinc/17/88/83/419178883.db2.gz HAGDOYAHOLPFHT-OFLPRAFFSA-N 2 1 264.457 3.230 20 0 CGADMP CC1CCC(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660662039 419178885 /nfs/dbraw/zinc/17/88/85/419178885.db2.gz HAGDOYAHOLPFHT-OFLPRAFFSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662428 419179621 /nfs/dbraw/zinc/17/96/21/419179621.db2.gz KDKMVVDCDSZGLG-DZGCQCFKSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662428 419179623 /nfs/dbraw/zinc/17/96/23/419179623.db2.gz KDKMVVDCDSZGLG-DZGCQCFKSA-N 2 1 274.399 3.086 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662428 419179625 /nfs/dbraw/zinc/17/96/25/419179625.db2.gz KDKMVVDCDSZGLG-DZGCQCFKSA-N 2 1 274.399 3.086 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CC1 ZINC000655940506 419128784 /nfs/dbraw/zinc/12/87/84/419128784.db2.gz CSZXIKSAUXCPFJ-LSDHHAIUSA-N 2 1 264.457 3.134 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C2CCC2)CC1 ZINC000661374133 419254126 /nfs/dbraw/zinc/25/41/26/419254126.db2.gz JTVUSIJHCSAQIE-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000657355486 419258251 /nfs/dbraw/zinc/25/82/51/419258251.db2.gz QAUDLVQIMHWCQP-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000657361274 419259339 /nfs/dbraw/zinc/25/93/39/419259339.db2.gz JZWGOXXYFUJSNL-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cccnc1[C@H](NCc1cnc2n1CCC2)C(C)C ZINC000657364675 419260581 /nfs/dbraw/zinc/26/05/81/419260581.db2.gz YTTDPVRKVBANLK-MRXNPFEDSA-N 2 1 284.407 3.020 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000657179330 419229452 /nfs/dbraw/zinc/22/94/52/419229452.db2.gz BBNOADWLHZGBKD-LSDHHAIUSA-N 2 1 280.481 3.391 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CC(C)(C)C2)cc1 ZINC000657192004 419230078 /nfs/dbraw/zinc/23/00/78/419230078.db2.gz VCZDROJUDAVFBG-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000661792028 419299096 /nfs/dbraw/zinc/29/90/96/419299096.db2.gz NKCHMDGQXCSVQC-UHFFFAOYSA-N 2 1 287.382 3.243 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000661792028 419299099 /nfs/dbraw/zinc/29/90/99/419299099.db2.gz NKCHMDGQXCSVQC-UHFFFAOYSA-N 2 1 287.382 3.243 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)[C@@H]1CCC[NH3+] ZINC000662315680 419390889 /nfs/dbraw/zinc/39/08/89/419390889.db2.gz ILCRFYGFJOYUTO-MLGOLLRUSA-N 2 1 282.378 3.304 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000657875927 419398781 /nfs/dbraw/zinc/39/87/81/419398781.db2.gz JSSMPMGGUQHAEP-NEPJUHHUSA-N 2 1 283.366 3.012 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000657875927 419398784 /nfs/dbraw/zinc/39/87/84/419398784.db2.gz JSSMPMGGUQHAEP-NEPJUHHUSA-N 2 1 283.366 3.012 20 0 CGADMP c1ccc2c(c1)CC[C@H]2CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000662235329 419368538 /nfs/dbraw/zinc/36/85/38/419368538.db2.gz QIIMHLRRDQICHL-INIZCTEOSA-N 2 1 284.447 3.323 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662238742 419369478 /nfs/dbraw/zinc/36/94/78/419369478.db2.gz VIDFAPAUQYZERV-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662236536 419370584 /nfs/dbraw/zinc/37/05/84/419370584.db2.gz FDKJKDXHEVGDDW-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP C[C@](C[NH3+])([NH2+]CCSc1cccc(Cl)c1)C1CC1 ZINC000662247282 419371735 /nfs/dbraw/zinc/37/17/35/419371735.db2.gz DUAAACBXCOGMOP-CQSZACIVSA-N 2 1 284.856 3.149 20 0 CGADMP C[C@](C[NH3+])([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000662248120 419372828 /nfs/dbraw/zinc/37/28/28/419372828.db2.gz UIBXZETVIOCDLS-QGPMSJSTSA-N 2 1 272.436 3.287 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662264761 419375550 /nfs/dbraw/zinc/37/55/50/419375550.db2.gz LBFPLNANMJIGQD-HZSPNIEDSA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000662266914 419377554 /nfs/dbraw/zinc/37/75/54/419377554.db2.gz QPUDZFBMQDIUNV-XIRDDKMYSA-N 2 1 272.436 3.153 20 0 CGADMP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662274785 419381056 /nfs/dbraw/zinc/38/10/56/419381056.db2.gz MAMRJSVGNAZHOW-KZNAEPCWSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662274785 419381063 /nfs/dbraw/zinc/38/10/63/419381063.db2.gz MAMRJSVGNAZHOW-KZNAEPCWSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)F)nc1 ZINC000657839811 419381982 /nfs/dbraw/zinc/38/19/82/419381982.db2.gz HBXPEYOOYPNKIH-IACUBPJLSA-N 2 1 295.377 3.297 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)F)nc1 ZINC000657839811 419381985 /nfs/dbraw/zinc/38/19/85/419381985.db2.gz HBXPEYOOYPNKIH-IACUBPJLSA-N 2 1 295.377 3.297 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)F)nc1 ZINC000657839810 419382335 /nfs/dbraw/zinc/38/23/35/419382335.db2.gz HBXPEYOOYPNKIH-FPMFFAJLSA-N 2 1 295.377 3.297 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)F)nc1 ZINC000657839810 419382341 /nfs/dbraw/zinc/38/23/41/419382341.db2.gz HBXPEYOOYPNKIH-FPMFFAJLSA-N 2 1 295.377 3.297 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662277556 419382631 /nfs/dbraw/zinc/38/26/31/419382631.db2.gz WBNQLLCHKMDBJE-MGPQQGTHSA-N 2 1 274.399 3.132 20 0 CGADMP CO[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C1CCCCC1 ZINC000662276705 419383014 /nfs/dbraw/zinc/38/30/14/419383014.db2.gz LGSUPBKNBSPLDM-SJORKVTESA-N 2 1 282.472 3.079 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC000662274880 419383120 /nfs/dbraw/zinc/38/31/20/419383120.db2.gz YCKZWRLYDVNMCK-YSHGAJCASA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC000662274880 419383126 /nfs/dbraw/zinc/38/31/26/419383126.db2.gz YCKZWRLYDVNMCK-YSHGAJCASA-N 2 1 284.447 3.254 20 0 CGADMP CCOC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000657843105 419383239 /nfs/dbraw/zinc/38/32/39/419383239.db2.gz DYNKKTUKRXCAHB-KLAILNCOSA-N 2 1 296.499 3.434 20 0 CGADMP CCOC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000657843105 419383245 /nfs/dbraw/zinc/38/32/45/419383245.db2.gz DYNKKTUKRXCAHB-KLAILNCOSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000662285745 419386283 /nfs/dbraw/zinc/38/62/83/419386283.db2.gz MWZQMSHEYKOJHK-UPJWGTAASA-N 2 1 262.388 3.117 20 0 CGADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCc1c[nH+]cn1C ZINC000657983559 419476996 /nfs/dbraw/zinc/47/69/96/419476996.db2.gz WKSRCWZLQPIMIK-HNNXBMFYSA-N 2 1 297.446 3.062 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000657999659 419485296 /nfs/dbraw/zinc/48/52/96/419485296.db2.gz XPKASRHJGVHPPT-ZWKOTPCHSA-N 2 1 284.447 3.431 20 0 CGADMP c1cc2cccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c2[nH]1 ZINC000663345545 419567435 /nfs/dbraw/zinc/56/74/35/419567435.db2.gz KOEWNWJVJPDEQU-MRXNPFEDSA-N 2 1 297.446 3.380 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2cnccc2o1 ZINC000658030452 419504177 /nfs/dbraw/zinc/50/41/77/419504177.db2.gz ZFLVEBFWSGULGT-PRTUASRFSA-N 2 1 285.391 3.104 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2cnccc2o1 ZINC000658030452 419504184 /nfs/dbraw/zinc/50/41/84/419504184.db2.gz ZFLVEBFWSGULGT-PRTUASRFSA-N 2 1 285.391 3.104 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)C(F)F ZINC000658032035 419509182 /nfs/dbraw/zinc/50/91/82/419509182.db2.gz OPMHBOAFEHUWFE-LLVKDONJSA-N 2 1 262.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H](C)C1 ZINC000663480239 419631946 /nfs/dbraw/zinc/63/19/46/419631946.db2.gz XQLFZUFYGASLKO-RYUDHWBXSA-N 2 1 280.378 3.285 20 0 CGADMP C[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)C1 ZINC000658128971 419605457 /nfs/dbraw/zinc/60/54/57/419605457.db2.gz YZJVMOIBSQRMQY-LEOABGAYSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466243 419617016 /nfs/dbraw/zinc/61/70/16/419617016.db2.gz PWRYRHYQUKRUPP-JSGCOSHPSA-N 2 1 292.389 3.429 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000663466396 419620194 /nfs/dbraw/zinc/62/01/94/419620194.db2.gz SGODTGTTWSXNDY-WBVHZDCISA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000663470673 419626053 /nfs/dbraw/zinc/62/60/53/419626053.db2.gz WGMXPNVBUCNNHC-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP C1CC12CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230678 419691510 /nfs/dbraw/zinc/69/15/10/419691510.db2.gz QKOYIVRMBZPTBS-ZBFHGGJFSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC12CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230678 419691519 /nfs/dbraw/zinc/69/15/19/419691519.db2.gz QKOYIVRMBZPTBS-ZBFHGGJFSA-N 2 1 262.441 3.316 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658263789 419719301 /nfs/dbraw/zinc/71/93/01/419719301.db2.gz MSEYZYWECDDOBG-MTHXSQLBSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000658263482 419719394 /nfs/dbraw/zinc/71/93/94/419719394.db2.gz KGHFZOFPJPIVQV-MWQQHZPXSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000658263482 419719401 /nfs/dbraw/zinc/71/94/01/419719401.db2.gz KGHFZOFPJPIVQV-MWQQHZPXSA-N 2 1 258.409 3.005 20 0 CGADMP CC(C)C[N@H+](C)CCCNc1[nH+]ccc2c(N)cccc21 ZINC000664061327 419816738 /nfs/dbraw/zinc/81/67/38/419816738.db2.gz VMPQNPBDTXOHMK-UHFFFAOYSA-N 2 1 286.423 3.207 20 0 CGADMP CC(C)C[N@@H+](C)CCCNc1[nH+]ccc2c(N)cccc21 ZINC000664061327 419816741 /nfs/dbraw/zinc/81/67/41/419816741.db2.gz VMPQNPBDTXOHMK-UHFFFAOYSA-N 2 1 286.423 3.207 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](C)C2 ZINC000180635536 260107666 /nfs/dbraw/zinc/10/76/66/260107666.db2.gz FGTMPRGMKMMWTO-GARXJVFOSA-N 2 1 272.436 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](C)C2 ZINC000180635536 260107667 /nfs/dbraw/zinc/10/76/67/260107667.db2.gz FGTMPRGMKMMWTO-GARXJVFOSA-N 2 1 272.436 3.301 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000390835986 262350053 /nfs/dbraw/zinc/35/00/53/262350053.db2.gz IQGYGKPAELAWID-IXIBIKRGSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996860 270028324 /nfs/dbraw/zinc/02/83/24/270028324.db2.gz HXKKLKHUIQDGGZ-BPQIPLTHSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996860 270028325 /nfs/dbraw/zinc/02/83/25/270028325.db2.gz HXKKLKHUIQDGGZ-BPQIPLTHSA-N 2 1 272.436 3.224 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000040599020 270029844 /nfs/dbraw/zinc/02/98/44/270029844.db2.gz LMWHSBJZEMGMQU-KRWDZBQOSA-N 2 1 290.451 3.004 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000044534969 270036805 /nfs/dbraw/zinc/03/68/05/270036805.db2.gz KBIAGSHZJXFIPZ-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)CCC2CC2)CC1 ZINC000186372254 270065739 /nfs/dbraw/zinc/06/57/39/270065739.db2.gz HXFNREORXFDGNW-OAHLLOKOSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000187013297 270067611 /nfs/dbraw/zinc/06/76/11/270067611.db2.gz PCZSCVWVMAQLRO-XHSDSOJGSA-N 2 1 298.540 3.476 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192798224 270077850 /nfs/dbraw/zinc/07/78/50/270077850.db2.gz JDXFHHYSQVIFEC-GOSISDBHSA-N 2 1 295.515 3.057 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000322480439 270093567 /nfs/dbraw/zinc/09/35/67/270093567.db2.gz SYAHMOONWMINSK-XHSDSOJGSA-N 2 1 250.430 3.172 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322612876 270093923 /nfs/dbraw/zinc/09/39/23/270093923.db2.gz PEKZJDYVXJUVHE-OAJAPDJCSA-N 2 1 262.441 3.194 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328137297 270094903 /nfs/dbraw/zinc/09/49/03/270094903.db2.gz YTBRAMAZTDRDCV-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328137297 270094904 /nfs/dbraw/zinc/09/49/04/270094904.db2.gz YTBRAMAZTDRDCV-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000526978763 270123669 /nfs/dbraw/zinc/12/36/69/270123669.db2.gz RIYXGKXIWBMKEX-AWEZNQCLSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC12CC2 ZINC000527888065 270142231 /nfs/dbraw/zinc/14/22/31/270142231.db2.gz QHGWQRPDJFCDOY-QSJFSLAZSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCCC1(C)C ZINC000527919345 270143819 /nfs/dbraw/zinc/14/38/19/270143819.db2.gz HPSGZJYXJNHVNG-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527923767 270144539 /nfs/dbraw/zinc/14/45/39/270144539.db2.gz GGUROCLLAXLTSM-GUYCJALGSA-N 2 1 264.457 3.133 20 0 CGADMP c1cc2c(cc[nH+]c2NC[C@@H]2CC[N@H+]2C2CCCCC2)[nH]1 ZINC000528117990 270154751 /nfs/dbraw/zinc/15/47/51/270154751.db2.gz OFPORRYXTDJWSP-AWEZNQCLSA-N 2 1 284.407 3.382 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3cc[nH]c3c2)CC1 ZINC000529551785 270184214 /nfs/dbraw/zinc/18/42/14/270184214.db2.gz HMOGPOHBUGBPIO-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529568866 270185126 /nfs/dbraw/zinc/18/51/26/270185126.db2.gz YROJMHWXNTWXRI-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529568866 270185127 /nfs/dbraw/zinc/18/51/27/270185127.db2.gz YROJMHWXNTWXRI-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000530513231 270200524 /nfs/dbraw/zinc/20/05/24/270200524.db2.gz UHKVGEDHKWCDGS-MRXNPFEDSA-N 2 1 289.810 3.283 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCCCC1 ZINC000423527725 274259693 /nfs/dbraw/zinc/25/96/93/274259693.db2.gz MOHDCWLIHFKQRG-FHLIZLRMSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000453238720 274335309 /nfs/dbraw/zinc/33/53/09/274335309.db2.gz AIXOIQLGYXIRAC-UWWQBHOKSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000280880495 274341064 /nfs/dbraw/zinc/34/10/64/274341064.db2.gz PCRKTASPYFIKEP-RTKZEXODSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700014 274395974 /nfs/dbraw/zinc/39/59/74/274395974.db2.gz KBDZUGYFTKEGSK-KCYZZUKISA-N 2 1 290.426 3.392 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119651923 274797830 /nfs/dbraw/zinc/79/78/30/274797830.db2.gz OHMIDBFNBNWBPA-SFHVURJKSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](C)Sc2sccc21 ZINC000336811427 274861719 /nfs/dbraw/zinc/86/17/19/274861719.db2.gz MXMDGXWUXPTHRO-MFKMUULPSA-N 2 1 293.461 3.468 20 0 CGADMP C(C[N@H+]1CCSC2(CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359221461 275392657 /nfs/dbraw/zinc/39/26/57/275392657.db2.gz PTTDLPJXAHRTDR-UHFFFAOYSA-N 2 1 282.497 3.128 20 0 CGADMP CC(C)(C)c1cnc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414795766 275537302 /nfs/dbraw/zinc/53/73/02/275537302.db2.gz HDMTWGQTOIFKEU-NWDGAFQWSA-N 2 1 281.469 3.048 20 0 CGADMP CC(C)c1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000261629267 276060235 /nfs/dbraw/zinc/06/02/35/276060235.db2.gz CLYRVJQWQQYBCD-HNNXBMFYSA-N 2 1 272.436 3.168 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459342418 276074743 /nfs/dbraw/zinc/07/47/43/276074743.db2.gz LCTIQJFMZKNUCG-CQSZACIVSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459342418 276074744 /nfs/dbraw/zinc/07/47/44/276074744.db2.gz LCTIQJFMZKNUCG-CQSZACIVSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459342418 276074745 /nfs/dbraw/zinc/07/47/45/276074745.db2.gz LCTIQJFMZKNUCG-CQSZACIVSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000037092494 276151220 /nfs/dbraw/zinc/15/12/20/276151220.db2.gz OTWGYSCMCZJXNL-UHFFFAOYSA-N 2 1 278.362 3.181 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000034996535 276152213 /nfs/dbraw/zinc/15/22/13/276152213.db2.gz QICWWVPTOHLJFV-HNNXBMFYSA-N 2 1 276.449 3.297 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459793863 276180354 /nfs/dbraw/zinc/18/03/54/276180354.db2.gz UAXPOORRLIRIQF-YESZJQIVSA-N 2 1 264.457 3.300 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000090721043 276225981 /nfs/dbraw/zinc/22/59/81/276225981.db2.gz LGTQCPPIZGIQKA-PRLABOORSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000090721043 276225982 /nfs/dbraw/zinc/22/59/82/276225982.db2.gz LGTQCPPIZGIQKA-PRLABOORSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434494374 277059764 /nfs/dbraw/zinc/05/97/64/277059764.db2.gz XQAUANAOYLNVNQ-QGZVFWFLSA-N 2 1 290.426 3.432 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCC2)[C@H]2CCC[C@H]21 ZINC000513682990 277170452 /nfs/dbraw/zinc/17/04/52/277170452.db2.gz DTHSHQOGQNGBNW-OWCLPIDISA-N 2 1 250.430 3.029 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C)CC2CCCCC2)CC1 ZINC000447062353 277219581 /nfs/dbraw/zinc/21/95/81/277219581.db2.gz ZFXXNSAGNPFKSJ-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[N@H+]3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424267748 277351654 /nfs/dbraw/zinc/35/16/54/277351654.db2.gz YNIYYPUMYRJPGV-IECFSIQFSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000487532928 277397092 /nfs/dbraw/zinc/39/70/92/277397092.db2.gz FWASDUJAWYITBT-ARFHVFGLSA-N 2 1 266.473 3.379 20 0 CGADMP CC(C[NH+]1CCC(C)(C)C1)C[N@H+]1CCC(C)(C)C1 ZINC000173814847 278155950 /nfs/dbraw/zinc/15/59/50/278155950.db2.gz MHYVIGPPWILCSX-UHFFFAOYSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000397396404 288023417 /nfs/dbraw/zinc/02/34/17/288023417.db2.gz PHNHAJVJMRXLNL-RDBSUJKOSA-N 2 1 272.392 3.238 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000397433567 288023872 /nfs/dbraw/zinc/02/38/72/288023872.db2.gz FYWDNIYKKNJJMZ-IIAWOOMASA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000397433567 288023875 /nfs/dbraw/zinc/02/38/75/288023875.db2.gz FYWDNIYKKNJJMZ-IIAWOOMASA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423362050 278250996 /nfs/dbraw/zinc/25/09/96/278250996.db2.gz ASXBIYCXAIOSIV-BPNCWPANSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414657941 278255931 /nfs/dbraw/zinc/25/59/31/278255931.db2.gz PJZMVIBARROSEN-LBPRGKRZSA-N 2 1 286.341 3.104 20 0 CGADMP C[C@@H](C[N@H+]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414657941 278255932 /nfs/dbraw/zinc/25/59/32/278255932.db2.gz PJZMVIBARROSEN-LBPRGKRZSA-N 2 1 286.341 3.104 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347952068 278259751 /nfs/dbraw/zinc/25/97/51/278259751.db2.gz JUBOLRIJMVEXHA-JZXOWHBKSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261664931 278307009 /nfs/dbraw/zinc/30/70/09/278307009.db2.gz KYDPUGIHRFAMHL-KYOSRNDESA-N 2 1 298.352 3.450 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000245513745 278345735 /nfs/dbraw/zinc/34/57/35/278345735.db2.gz DNLHFEOSYIWDJS-BZUAXINKSA-N 2 1 275.440 3.100 20 0 CGADMP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1)C1CC1 ZINC000086119692 288047219 /nfs/dbraw/zinc/04/72/19/288047219.db2.gz MVSAKEFXABHAJK-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371589 288085474 /nfs/dbraw/zinc/08/54/74/288085474.db2.gz YLTBZGFIEFIWLG-RBUKOAKNSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371589 288085476 /nfs/dbraw/zinc/08/54/76/288085476.db2.gz YLTBZGFIEFIWLG-RBUKOAKNSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371589 288085478 /nfs/dbraw/zinc/08/54/78/288085478.db2.gz YLTBZGFIEFIWLG-RBUKOAKNSA-N 2 1 284.447 3.480 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423528036 279072473 /nfs/dbraw/zinc/07/24/73/279072473.db2.gz NKIUCLIDZYOVHA-NSHDSACASA-N 2 1 281.469 3.368 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245595074 279134021 /nfs/dbraw/zinc/13/40/21/279134021.db2.gz LKLYYSNWFMRIOG-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245595074 279134022 /nfs/dbraw/zinc/13/40/22/279134022.db2.gz LKLYYSNWFMRIOG-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245595074 279134024 /nfs/dbraw/zinc/13/40/24/279134024.db2.gz LKLYYSNWFMRIOG-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449097617 279323823 /nfs/dbraw/zinc/32/38/23/279323823.db2.gz MPWHGIKFLDXQLS-TWMKSMIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449097617 279323824 /nfs/dbraw/zinc/32/38/24/279323824.db2.gz MPWHGIKFLDXQLS-TWMKSMIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415103949 279380294 /nfs/dbraw/zinc/38/02/94/279380294.db2.gz DGRKJXYUZFKLOA-IIAWOOMASA-N 2 1 278.415 3.077 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000459563380 279455177 /nfs/dbraw/zinc/45/51/77/279455177.db2.gz PZMHQSIEMGXQNL-SOUVJXGZSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC[C@H]2C2CC2)CCCO1 ZINC000432420813 288163808 /nfs/dbraw/zinc/16/38/08/288163808.db2.gz MUYUUYXNCOBKRX-NJAFHUGGSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529537847 288260327 /nfs/dbraw/zinc/26/03/27/288260327.db2.gz HPKQEULBWLLBHB-CHWSQXEVSA-N 2 1 274.399 3.130 20 0 CGADMP CC[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[NH+]1CCCC1 ZINC000480791074 280837336 /nfs/dbraw/zinc/83/73/36/280837336.db2.gz PZJHCQHOWKQPLP-MOPGFXCFSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc2c(C)cc(N3CC[C@@H](C[NH+](C)C)C3)[nH+]c2c1 ZINC000293248052 281042196 /nfs/dbraw/zinc/04/21/96/281042196.db2.gz ZPULYCZDLCZTNQ-HNNXBMFYSA-N 2 1 283.419 3.240 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211658 288300439 /nfs/dbraw/zinc/30/04/39/288300439.db2.gz PHPUAFFPXXHVGU-LSDHHAIUSA-N 2 1 272.417 3.385 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530407250 288305139 /nfs/dbraw/zinc/30/51/39/288305139.db2.gz IADFTNDTOVVJNM-SJKOYZFVSA-N 2 1 287.382 3.015 20 0 CGADMP C[C@H](CCC1CCCCC1)[NH2+]CCc1c[nH+]cn1C ZINC000530407332 288305185 /nfs/dbraw/zinc/30/51/85/288305185.db2.gz QFMLNQIBAGSVRO-CQSZACIVSA-N 2 1 263.429 3.301 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166329741 281273604 /nfs/dbraw/zinc/27/36/04/281273604.db2.gz WZWPTLYLBAAQMA-CKEIUWERSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166329741 281273606 /nfs/dbraw/zinc/27/36/06/281273606.db2.gz WZWPTLYLBAAQMA-CKEIUWERSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178974534 281372056 /nfs/dbraw/zinc/37/20/56/281372056.db2.gz NPSWTMLKQMKRGN-NVXWUHKLSA-N 2 1 272.436 3.172 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1(C)C ZINC000531994205 288348900 /nfs/dbraw/zinc/34/89/00/288348900.db2.gz YWBCOHCBCDQCBL-WCXIOVBPSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000548930721 289029173 /nfs/dbraw/zinc/02/91/73/289029173.db2.gz REZAHMPGNUUYEA-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](C1CCCCC1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000548930721 289029175 /nfs/dbraw/zinc/02/91/75/289029175.db2.gz REZAHMPGNUUYEA-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](C1CCCCC1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000548930721 289029176 /nfs/dbraw/zinc/02/91/76/289029176.db2.gz REZAHMPGNUUYEA-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ccccc1C(C)(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000549868360 289057675 /nfs/dbraw/zinc/05/76/75/289057675.db2.gz UXCWWAJWZCDRCT-OAHLLOKOSA-N 2 1 260.425 3.304 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551309488 289110813 /nfs/dbraw/zinc/11/08/13/289110813.db2.gz UWXHHIHWECVUMS-LEUOFYLZSA-N 2 1 290.426 3.377 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000552038010 289152517 /nfs/dbraw/zinc/15/25/17/289152517.db2.gz AIPGPCZPXUANQN-SQNIBIBYSA-N 2 1 284.447 3.181 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000552049538 289155066 /nfs/dbraw/zinc/15/50/66/289155066.db2.gz YAZOBWCLBIPUHJ-IPMKNSEASA-N 2 1 286.463 3.254 20 0 CGADMP Cc1ccc(OCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000552900952 289201808 /nfs/dbraw/zinc/20/18/08/289201808.db2.gz HUHLKOBQLFBACT-YESZJQIVSA-N 2 1 290.451 3.001 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554048913 289253070 /nfs/dbraw/zinc/25/30/70/289253070.db2.gz DYWAZFWSXYFKLF-SJORKVTESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000554879654 289316462 /nfs/dbraw/zinc/31/64/62/289316462.db2.gz ZDISNQOMXNYFPJ-APWZRJJASA-N 2 1 286.463 3.454 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000556262220 289383122 /nfs/dbraw/zinc/38/31/22/289383122.db2.gz WXZMGIKWRSQVDK-DDBAPUKQSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000556262220 289383123 /nfs/dbraw/zinc/38/31/23/289383123.db2.gz WXZMGIKWRSQVDK-DDBAPUKQSA-N 2 1 290.426 3.377 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000556583736 289398354 /nfs/dbraw/zinc/39/83/54/289398354.db2.gz KWKFBROJHFESPD-HUUCEWRRSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228472065 290229943 /nfs/dbraw/zinc/22/99/43/290229943.db2.gz FKOVVGDDSMISLT-QZDOHJIMSA-N 2 1 280.362 3.085 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c1 ZINC000423258989 295209330 /nfs/dbraw/zinc/20/93/30/295209330.db2.gz CUJXUYMVIIQCMQ-ZIAGYGMSSA-N 2 1 264.413 3.028 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)C1CCCC1 ZINC000423516855 295264319 /nfs/dbraw/zinc/26/43/19/295264319.db2.gz YFKPGGCNGIDXQY-VJFUWPCTSA-N 2 1 294.483 3.364 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]21 ZINC000230126435 295316317 /nfs/dbraw/zinc/31/63/17/295316317.db2.gz QKYVVHGRVGVGPQ-HRCADAONSA-N 2 1 250.430 3.016 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414701428 295388056 /nfs/dbraw/zinc/38/80/56/295388056.db2.gz WGPVTKBZRAAKED-INMHGKMJSA-N 2 1 288.435 3.220 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000420396612 303125907 /nfs/dbraw/zinc/12/59/07/303125907.db2.gz LZKDDFQKURUONY-RRFJBIMHSA-N 2 1 286.410 3.276 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccn1 ZINC000159002727 321827322 /nfs/dbraw/zinc/82/73/22/321827322.db2.gz UOFLPINBHRSQLD-ZBFHGGJFSA-N 2 1 286.423 3.354 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000563957014 322016439 /nfs/dbraw/zinc/01/64/39/322016439.db2.gz CSUBSOBSQPWXBV-CYBMUJFWSA-N 2 1 286.341 3.185 20 0 CGADMP CC(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564451569 322031454 /nfs/dbraw/zinc/03/14/54/322031454.db2.gz QQOWWXLURNVMKJ-KRWDZBQOSA-N 2 1 272.436 3.429 20 0 CGADMP CC(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564451569 322031455 /nfs/dbraw/zinc/03/14/55/322031455.db2.gz QQOWWXLURNVMKJ-KRWDZBQOSA-N 2 1 272.436 3.429 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000564569777 322034583 /nfs/dbraw/zinc/03/45/83/322034583.db2.gz CLWLGGLEGPVZQK-VYDXJSESSA-N 2 1 260.425 3.095 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000565159547 322063465 /nfs/dbraw/zinc/06/34/65/322063465.db2.gz ZMKARLAUSIDKLN-QWHCGFSZSA-N 2 1 283.366 3.035 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000565282518 322071588 /nfs/dbraw/zinc/07/15/88/322071588.db2.gz AHOVZCFFRNKVDV-DZGCQCFKSA-N 2 1 266.454 3.095 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000565512818 322080458 /nfs/dbraw/zinc/08/04/58/322080458.db2.gz OYUBRJDBLSRIIZ-USXIJHARSA-N 2 1 264.457 3.395 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)C(C)(C)C ZINC000566054540 322102012 /nfs/dbraw/zinc/10/20/12/322102012.db2.gz JDOSNZSNLJQOKB-QGZVFWFLSA-N 2 1 289.467 3.026 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000567269481 322157170 /nfs/dbraw/zinc/15/71/70/322157170.db2.gz HLBCRUZSRPLRRQ-UONOGXRCSA-N 2 1 278.465 3.132 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1sccc1Br ZINC000567638916 322171540 /nfs/dbraw/zinc/17/15/40/322171540.db2.gz VJADTZWPHJRCDW-BDAKNGLRSA-N 2 1 291.258 3.017 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000567868186 322180862 /nfs/dbraw/zinc/18/08/62/322180862.db2.gz VVSGEMHFNWTVBZ-DMRKSPOLSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000568169109 322195860 /nfs/dbraw/zinc/19/58/60/322195860.db2.gz BKCLWADIFAWXTO-WBVHZDCISA-N 2 1 283.419 3.231 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000568169109 322195862 /nfs/dbraw/zinc/19/58/62/322195862.db2.gz BKCLWADIFAWXTO-WBVHZDCISA-N 2 1 283.419 3.231 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)[C@H]2CCC[C@H]21 ZINC000568405653 322208186 /nfs/dbraw/zinc/20/81/86/322208186.db2.gz GTIMKBYHHMUBCE-QLFBSQMISA-N 2 1 292.492 3.488 20 0 CGADMP CCC[C@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000569469090 322248123 /nfs/dbraw/zinc/24/81/23/322248123.db2.gz MWZHWJHHDSDGHT-HOCLYGCPSA-N 2 1 263.429 3.301 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000569577423 322250914 /nfs/dbraw/zinc/25/09/14/322250914.db2.gz PIADJNUYIZMKBD-XKQJLSEDSA-N 2 1 281.403 3.107 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000569889217 322259776 /nfs/dbraw/zinc/25/97/76/322259776.db2.gz PSUFLYXZMJRHRH-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000569889217 322259778 /nfs/dbraw/zinc/25/97/78/322259778.db2.gz PSUFLYXZMJRHRH-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1cc([C@@H](C)NCC[N@H+]2CC[C@H](C)C2)c(C)s1 ZINC000570128043 322265398 /nfs/dbraw/zinc/26/53/98/322265398.db2.gz RWQBYTGNSCFFSU-WCQYABFASA-N 2 1 266.454 3.357 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CC[NH3+])CC1 ZINC000570851301 322283927 /nfs/dbraw/zinc/28/39/27/322283927.db2.gz GJJFHEITJZUZSO-GFCCVEGCSA-N 2 1 279.428 3.094 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC3CCCCCC3)[C@@H]2C1 ZINC000571327980 322295821 /nfs/dbraw/zinc/29/58/21/322295821.db2.gz GNDJLGZVEYOATI-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC3CCCCCC3)[C@@H]2C1 ZINC000571327980 322295822 /nfs/dbraw/zinc/29/58/22/322295822.db2.gz GNDJLGZVEYOATI-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC3CCCCCC3)[C@@H]2C1 ZINC000571327980 322295824 /nfs/dbraw/zinc/29/58/24/322295824.db2.gz GNDJLGZVEYOATI-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC3CCCCCC3)[C@@H]2C1 ZINC000571327980 322295826 /nfs/dbraw/zinc/29/58/26/322295826.db2.gz GNDJLGZVEYOATI-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000572892638 322360154 /nfs/dbraw/zinc/36/01/54/322360154.db2.gz MFGUBCZUQVETDD-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000572892638 322360158 /nfs/dbraw/zinc/36/01/58/322360158.db2.gz MFGUBCZUQVETDD-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000573383059 322385436 /nfs/dbraw/zinc/38/54/36/322385436.db2.gz GHYSWNZWSAYACJ-UHFFFAOYSA-N 2 1 293.361 3.156 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000573444441 322388231 /nfs/dbraw/zinc/38/82/31/322388231.db2.gz DJMFAEHEBWVLEA-QZTJIDSGSA-N 2 1 274.452 3.487 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000573481303 322389959 /nfs/dbraw/zinc/38/99/59/322389959.db2.gz TUSHIPPYGDWNHC-ZFWWWQNUSA-N 2 1 269.392 3.438 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000573481303 322389962 /nfs/dbraw/zinc/38/99/62/322389962.db2.gz TUSHIPPYGDWNHC-ZFWWWQNUSA-N 2 1 269.392 3.438 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000573649089 322399109 /nfs/dbraw/zinc/39/91/09/322399109.db2.gz WSYYBWVEVGTWNQ-IMJJTQAJSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000573649089 322399110 /nfs/dbraw/zinc/39/91/10/322399110.db2.gz WSYYBWVEVGTWNQ-IMJJTQAJSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582467027 329088653 /nfs/dbraw/zinc/08/86/53/329088653.db2.gz JLGRSPXQHCNRST-VVLHAWIVSA-N 2 1 296.499 3.433 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582467027 329088655 /nfs/dbraw/zinc/08/86/55/329088655.db2.gz JLGRSPXQHCNRST-VVLHAWIVSA-N 2 1 296.499 3.433 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000582513945 329099560 /nfs/dbraw/zinc/09/95/60/329099560.db2.gz TWWYOBFKAWKPOE-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000582578309 329110125 /nfs/dbraw/zinc/11/01/25/329110125.db2.gz VIYHBLKFMYHKQN-HOTGVXAUSA-N 2 1 296.817 3.238 20 0 CGADMP COc1cccnc1NCc1nc(C(C)C)n2ccccc12 ZINC000582670730 329122520 /nfs/dbraw/zinc/12/25/20/329122520.db2.gz KWQNXBSHCNPBGL-UHFFFAOYSA-N 2 1 296.374 3.473 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000582725749 329131348 /nfs/dbraw/zinc/13/13/48/329131348.db2.gz ZRECUVWVBNIZGS-NXEZZACHSA-N 2 1 281.450 3.087 20 0 CGADMP c1nc(C2CCCCC2)sc1C[NH2+]CCC[NH2+]C1CC1 ZINC000583251048 329398343 /nfs/dbraw/zinc/39/83/43/329398343.db2.gz JRVAVFXQYUOJPD-UHFFFAOYSA-N 2 1 293.480 3.423 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000576074334 335149531 /nfs/dbraw/zinc/14/95/31/335149531.db2.gz BPGACACWSLPALQ-IBGZPJMESA-N 2 1 286.463 3.467 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccnc2ccccc12)C1CCCCC1 ZINC000576959638 335270450 /nfs/dbraw/zinc/27/04/50/335270450.db2.gz UBSZKZGNCFGKII-SFHVURJKSA-N 2 1 283.419 3.232 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000577447793 335352960 /nfs/dbraw/zinc/35/29/60/335352960.db2.gz XUHWTTHBBJTAGJ-DZJNRPSUSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000577447793 335352962 /nfs/dbraw/zinc/35/29/62/335352962.db2.gz XUHWTTHBBJTAGJ-DZJNRPSUSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000577447793 335352963 /nfs/dbraw/zinc/35/29/63/335352963.db2.gz XUHWTTHBBJTAGJ-DZJNRPSUSA-N 2 1 276.468 3.395 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(C)cc1 ZINC000577594580 335375385 /nfs/dbraw/zinc/37/53/85/335375385.db2.gz DQAJUUUDWXUWFE-INIZCTEOSA-N 2 1 260.425 3.207 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCCCn2cc[nH+]c2C)C[C@H]1OC ZINC000181809548 335786351 /nfs/dbraw/zinc/78/63/51/335786351.db2.gz XBJOOCXQMABXLC-HZPDHXFCSA-N 2 1 293.455 3.155 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000581188505 336021334 /nfs/dbraw/zinc/02/13/34/336021334.db2.gz SDUVPYAAGLQIEF-AWEZNQCLSA-N 2 1 281.403 3.439 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000581188505 336021335 /nfs/dbraw/zinc/02/13/35/336021335.db2.gz SDUVPYAAGLQIEF-AWEZNQCLSA-N 2 1 281.403 3.439 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](CCC(C)C)C2CC2)CC1 ZINC000381068987 336048709 /nfs/dbraw/zinc/04/87/09/336048709.db2.gz AZOMDPIBVGAKMJ-MRXNPFEDSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000382855198 336098039 /nfs/dbraw/zinc/09/80/39/336098039.db2.gz BZIURYLEUFLWFS-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000581913991 336165067 /nfs/dbraw/zinc/16/50/67/336165067.db2.gz IZXRMSAGRAFWGQ-RWMBFGLXSA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000581913991 336165069 /nfs/dbraw/zinc/16/50/69/336165069.db2.gz IZXRMSAGRAFWGQ-RWMBFGLXSA-N 2 1 280.378 3.426 20 0 CGADMP CC[C@H](C)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000387244805 336190282 /nfs/dbraw/zinc/19/02/82/336190282.db2.gz PGVMMYPWSZQJKW-HOTGVXAUSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437344126 533727306 /nfs/dbraw/zinc/72/73/06/533727306.db2.gz LTOUNJNLDZUOJN-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000358065816 533899578 /nfs/dbraw/zinc/89/95/78/533899578.db2.gz SPNPSNJZUWAUSI-XJKSGUPXSA-N 2 1 296.455 3.238 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000355040936 533919644 /nfs/dbraw/zinc/91/96/44/533919644.db2.gz ODAHNVPBGMANAH-UHFFFAOYSA-N 2 1 276.399 3.194 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449295916 534259424 /nfs/dbraw/zinc/25/94/24/534259424.db2.gz WBIGBZGXSIAGNM-LPHOPBHVSA-N 2 1 298.430 3.322 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000153430077 519794927 /nfs/dbraw/zinc/79/49/27/519794927.db2.gz MEEDLXWUHVYRAE-FUHWJXTLSA-N 2 1 296.499 3.148 20 0 CGADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423233521 534498234 /nfs/dbraw/zinc/49/82/34/534498234.db2.gz KAJKNBIPJHNMFS-IRXDYDNUSA-N 2 1 258.409 3.260 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCS2 ZINC000423361152 534502428 /nfs/dbraw/zinc/50/24/28/534502428.db2.gz MCXVUYDCWIQJTG-OCCSQVGLSA-N 2 1 280.412 3.094 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2c1 ZINC000411283671 534513989 /nfs/dbraw/zinc/51/39/89/534513989.db2.gz LNMFOFFTVSJIDH-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2c1 ZINC000411283671 534513992 /nfs/dbraw/zinc/51/39/92/534513992.db2.gz LNMFOFFTVSJIDH-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2ncc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc2c1 ZINC000411283671 534513999 /nfs/dbraw/zinc/51/39/99/534513999.db2.gz LNMFOFFTVSJIDH-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2ncc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc2c1 ZINC000411283671 534514008 /nfs/dbraw/zinc/51/40/08/534514008.db2.gz LNMFOFFTVSJIDH-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Fc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000449069946 534537209 /nfs/dbraw/zinc/53/72/09/534537209.db2.gz YWEJOMSXSAIIGI-UHFFFAOYSA-N 2 1 299.393 3.106 20 0 CGADMP Cc1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000449082661 534554375 /nfs/dbraw/zinc/55/43/75/534554375.db2.gz OUAISCDHZPRJBG-CYBMUJFWSA-N 2 1 281.469 3.053 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000087472351 521995452 /nfs/dbraw/zinc/99/54/52/521995452.db2.gz XNXAWMJNGKNGKR-UHFFFAOYSA-N 2 1 261.196 3.035 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000087472351 521995461 /nfs/dbraw/zinc/99/54/61/521995461.db2.gz XNXAWMJNGKNGKR-UHFFFAOYSA-N 2 1 261.196 3.035 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643971 522631383 /nfs/dbraw/zinc/63/13/83/522631383.db2.gz XENQXFNQEPKKMO-PBHICJAKSA-N 2 1 276.424 3.078 20 0 CGADMP COCc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157391241 523106153 /nfs/dbraw/zinc/10/61/53/523106153.db2.gz JOCLWRSPRWIPIZ-ROUUACIJSA-N 2 1 282.387 3.067 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1F ZINC000449044410 534712254 /nfs/dbraw/zinc/71/22/54/534712254.db2.gz DNOKCRYIKJZPLQ-GDBMZVCRSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1F ZINC000449044410 534712259 /nfs/dbraw/zinc/71/22/59/534712259.db2.gz DNOKCRYIKJZPLQ-GDBMZVCRSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1F ZINC000449044410 534712264 /nfs/dbraw/zinc/71/22/64/534712264.db2.gz DNOKCRYIKJZPLQ-GDBMZVCRSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1F ZINC000449044410 534712267 /nfs/dbraw/zinc/71/22/67/534712267.db2.gz DNOKCRYIKJZPLQ-GDBMZVCRSA-N 2 1 276.399 3.050 20 0 CGADMP C[C@H](CC[NH2+]Cc1cccn1C)[N@H+](C)Cc1ccccc1 ZINC000080206491 524193679 /nfs/dbraw/zinc/19/36/79/524193679.db2.gz XMPCCDWSPYIYOG-MRXNPFEDSA-N 2 1 285.435 3.025 20 0 CGADMP C[C@H](CC[NH2+]Cc1cccn1C)[N@@H+](C)Cc1ccccc1 ZINC000080206491 524193688 /nfs/dbraw/zinc/19/36/88/524193688.db2.gz XMPCCDWSPYIYOG-MRXNPFEDSA-N 2 1 285.435 3.025 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)C[NH+]1CCCC1 ZINC000163672976 524488309 /nfs/dbraw/zinc/48/83/09/524488309.db2.gz RYZVIPCARGZRFO-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC000088163836 524573814 /nfs/dbraw/zinc/57/38/14/524573814.db2.gz OAECTNXDJPCDGC-AYHJJNSGSA-N 2 1 272.436 3.408 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608760 525364035 /nfs/dbraw/zinc/36/40/35/525364035.db2.gz FYQYMEWAJNVZIL-RDJZCZTQSA-N 2 1 298.434 3.007 20 0 CGADMP C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687148 525368427 /nfs/dbraw/zinc/36/84/27/525368427.db2.gz XTYRGLQPXJELKS-FUHWJXTLSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000157696031 525437168 /nfs/dbraw/zinc/43/71/68/525437168.db2.gz MQISVUWMNVEFET-AFVSCTSBSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000157696031 525437174 /nfs/dbraw/zinc/43/71/74/525437174.db2.gz MQISVUWMNVEFET-AFVSCTSBSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110137 525565640 /nfs/dbraw/zinc/56/56/40/525565640.db2.gz FBKLEVMJVBQPQD-SUNYJGFJSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110137 525565649 /nfs/dbraw/zinc/56/56/49/525565649.db2.gz FBKLEVMJVBQPQD-SUNYJGFJSA-N 2 1 272.436 3.309 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157541764 527212899 /nfs/dbraw/zinc/21/28/99/527212899.db2.gz NEKCTMXCVNDSQX-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000157541764 527212903 /nfs/dbraw/zinc/21/29/03/527212903.db2.gz NEKCTMXCVNDSQX-LBPRGKRZSA-N 2 1 289.810 3.059 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC000105443838 527438275 /nfs/dbraw/zinc/43/82/75/527438275.db2.gz IVIQBDTZNQPXKP-AWEZNQCLSA-N 2 1 271.408 3.234 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000436272757 527766614 /nfs/dbraw/zinc/76/66/14/527766614.db2.gz SMKAFFREYYSLPG-RCCFBDPRSA-N 2 1 296.499 3.434 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000126174982 527802799 /nfs/dbraw/zinc/80/27/99/527802799.db2.gz VPSOFGHLJSQZCO-JFIYKMOQSA-N 2 1 290.451 3.082 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449089883 527815505 /nfs/dbraw/zinc/81/55/05/527815505.db2.gz LPNFQSRINGDNPX-LSDHHAIUSA-N 2 1 286.419 3.295 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2SC)c1 ZINC000425351581 527846660 /nfs/dbraw/zinc/84/66/60/527846660.db2.gz MCRWRLYYXWWLAN-CVEARBPZSA-N 2 1 278.465 3.122 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423512519 527850284 /nfs/dbraw/zinc/85/02/84/527850284.db2.gz UUUKLLWMWQZKNV-JKSUJKDBSA-N 2 1 252.446 3.308 20 0 CGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000449151577 527860715 /nfs/dbraw/zinc/86/07/15/527860715.db2.gz AQXPCSRAJYGINW-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423315559 528161480 /nfs/dbraw/zinc/16/14/80/528161480.db2.gz IZIBTEYTXJTBEG-CXAGYDPISA-N 2 1 276.424 3.109 20 0 CGADMP CC(C)COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424371015 528173584 /nfs/dbraw/zinc/17/35/84/528173584.db2.gz UMKPWQJCGNYWCR-IAGOWNOFSA-N 2 1 276.424 3.081 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2ccoc21 ZINC000449324033 528442776 /nfs/dbraw/zinc/44/27/76/528442776.db2.gz CRPPAHZSFVMWGL-UHFFFAOYSA-N 2 1 260.381 3.206 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449129853 528469368 /nfs/dbraw/zinc/46/93/68/528469368.db2.gz DVPWHAQOLRLAKA-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449129853 528469375 /nfs/dbraw/zinc/46/93/75/528469375.db2.gz DVPWHAQOLRLAKA-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423306967 528514403 /nfs/dbraw/zinc/51/44/03/528514403.db2.gz FWRRPWLOQWHKHL-HZPDHXFCSA-N 2 1 275.440 3.005 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423274950 528516828 /nfs/dbraw/zinc/51/68/28/528516828.db2.gz MPIPIXWHTPYXIT-SMDDNHRTSA-N 2 1 299.256 3.473 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000423263801 528519568 /nfs/dbraw/zinc/51/95/68/528519568.db2.gz OXJYRVGHIGMFSW-DGCLKSJQSA-N 2 1 286.366 3.312 20 0 CGADMP CC(C)[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc2ccccc2o1 ZINC000423288543 528583624 /nfs/dbraw/zinc/58/36/24/528583624.db2.gz SRDLSJSFMUEIDO-OAHLLOKOSA-N 2 1 260.381 3.457 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423509388 528596692 /nfs/dbraw/zinc/59/66/92/528596692.db2.gz JPNLSRNVEPCWAC-DYVFJYSZSA-N 2 1 276.424 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000423302916 528823530 /nfs/dbraw/zinc/82/35/30/528823530.db2.gz WKCQAEIOJKQOJU-DLBZAZTESA-N 2 1 262.441 3.361 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000423289735 528951066 /nfs/dbraw/zinc/95/10/66/528951066.db2.gz XXMGGOMCSBQBBO-CQSZACIVSA-N 2 1 267.392 3.025 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423304443 528957977 /nfs/dbraw/zinc/95/79/77/528957977.db2.gz YVADLEMJCWTFSJ-IAGOWNOFSA-N 2 1 260.425 3.115 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000449772022 528986713 /nfs/dbraw/zinc/98/67/13/528986713.db2.gz ZRPQMQQFGSRFIY-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423287990 529155202 /nfs/dbraw/zinc/15/52/02/529155202.db2.gz PVCULBFRYDUTLU-GFCCVEGCSA-N 2 1 290.329 3.363 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)cn1 ZINC000352683140 529178029 /nfs/dbraw/zinc/17/80/29/529178029.db2.gz JEPNRGYFVLOHAW-SWLSCSKDSA-N 2 1 290.386 3.103 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423280946 529202040 /nfs/dbraw/zinc/20/20/40/529202040.db2.gz TZXQDJOFKKUYOW-KGLIPLIRSA-N 2 1 252.789 3.118 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483248576 534945751 /nfs/dbraw/zinc/94/57/51/534945751.db2.gz FZUQWXFQMDQKPC-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CCO[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000459419271 535610988 /nfs/dbraw/zinc/61/09/88/535610988.db2.gz DWVNKKZVMDPLPT-GOSISDBHSA-N 2 1 294.483 3.188 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000125516656 535964463 /nfs/dbraw/zinc/96/44/63/535964463.db2.gz SRFHGWARXVPEEG-QGZVFWFLSA-N 2 1 295.430 3.132 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3ccccc3o2)C1 ZINC000459729350 536384683 /nfs/dbraw/zinc/38/46/83/536384683.db2.gz JCMBIUBWTFWLKO-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCCCC1 ZINC000480300248 536679017 /nfs/dbraw/zinc/67/90/17/536679017.db2.gz IFBGXJFKGIJWKL-QGZVFWFLSA-N 2 1 296.499 3.293 20 0 CGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCC[C@@H]1C ZINC000487971663 536834444 /nfs/dbraw/zinc/83/44/44/536834444.db2.gz LBMXNUWCLBTLRL-DOTOQJQBSA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCC[C@@H]1C ZINC000487971663 536834451 /nfs/dbraw/zinc/83/44/51/536834451.db2.gz LBMXNUWCLBTLRL-DOTOQJQBSA-N 2 1 293.455 3.109 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000336375541 571833059 /nfs/dbraw/zinc/83/30/59/571833059.db2.gz OJWXFBAAZBCYNX-MRXNPFEDSA-N 2 1 280.362 3.200 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261540917 572525403 /nfs/dbraw/zinc/52/54/03/572525403.db2.gz AOPPRHXUFGODNS-SMDDNHRTSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261540917 572525406 /nfs/dbraw/zinc/52/54/06/572525406.db2.gz AOPPRHXUFGODNS-SMDDNHRTSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C/C=C\Cl)C1 ZINC000733841933 572606821 /nfs/dbraw/zinc/60/68/21/572606821.db2.gz MTGOAECSMMPASE-PNPSXAPQSA-N 2 1 270.848 3.325 20 0 CGADMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[Si](C)(C)C ZINC000743874617 572694157 /nfs/dbraw/zinc/69/41/57/572694157.db2.gz XISZINOVEBGLMK-KRWDZBQOSA-N 2 1 290.527 3.318 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[Si](C)(C)C ZINC000743874617 572694160 /nfs/dbraw/zinc/69/41/60/572694160.db2.gz XISZINOVEBGLMK-KRWDZBQOSA-N 2 1 290.527 3.318 20 0 CGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[Si](C)(C)C ZINC000743874617 572694164 /nfs/dbraw/zinc/69/41/64/572694164.db2.gz XISZINOVEBGLMK-KRWDZBQOSA-N 2 1 290.527 3.318 20 0 CGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[Si](C)(C)C ZINC000743874617 572694166 /nfs/dbraw/zinc/69/41/66/572694166.db2.gz XISZINOVEBGLMK-KRWDZBQOSA-N 2 1 290.527 3.318 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]CCC3CCC3)CC2)cc1 ZINC000090233816 617612821 /nfs/dbraw/zinc/61/28/21/617612821.db2.gz DTBALGOGNJLLHD-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000076004571 617755944 /nfs/dbraw/zinc/75/59/44/617755944.db2.gz DXVYZZDBWVUACK-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000076004571 617755948 /nfs/dbraw/zinc/75/59/48/617755948.db2.gz DXVYZZDBWVUACK-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000420411746 617791422 /nfs/dbraw/zinc/79/14/22/617791422.db2.gz YBKFFKAMYKDOKI-OWCLPIDISA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000420411746 617791429 /nfs/dbraw/zinc/79/14/29/617791429.db2.gz YBKFFKAMYKDOKI-OWCLPIDISA-N 2 1 250.430 3.031 20 0 CGADMP CSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000300570836 617797274 /nfs/dbraw/zinc/79/72/74/617797274.db2.gz PJXBLVYVOGZAEF-CABCVRRESA-N 2 1 282.497 3.269 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)oc2C)C1 ZINC000093742305 617812118 /nfs/dbraw/zinc/81/21/18/617812118.db2.gz WHCQIDSADZTSKV-HNNXBMFYSA-N 2 1 264.413 3.060 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)oc2C)C1 ZINC000093742305 617812123 /nfs/dbraw/zinc/81/21/23/617812123.db2.gz WHCQIDSADZTSKV-HNNXBMFYSA-N 2 1 264.413 3.060 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)oc2C)C1 ZINC000093742305 617812128 /nfs/dbraw/zinc/81/21/28/617812128.db2.gz WHCQIDSADZTSKV-HNNXBMFYSA-N 2 1 264.413 3.060 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)oc2C)C1 ZINC000093742305 617812129 /nfs/dbraw/zinc/81/21/29/617812129.db2.gz WHCQIDSADZTSKV-HNNXBMFYSA-N 2 1 264.413 3.060 20 0 CGADMP CC(C)[N@H+](Cc1cccs1)CC1CC[NH+](C)CC1 ZINC000891626897 618242957 /nfs/dbraw/zinc/24/29/57/618242957.db2.gz RHZUCVGZRKJXKS-UHFFFAOYSA-N 2 1 266.454 3.300 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000891942386 618397323 /nfs/dbraw/zinc/39/73/23/618397323.db2.gz GPPWVLODXLPMPM-KBPBESRZSA-N 2 1 252.446 3.227 20 0 CGADMP COC1CCC(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000892085458 618523167 /nfs/dbraw/zinc/52/31/67/618523167.db2.gz FYSPJAUTZARNQI-LXPRWKDFSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000892105371 618535386 /nfs/dbraw/zinc/53/53/86/618535386.db2.gz KIELLOUAHMOVAF-FUHWJXTLSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000892105371 618535393 /nfs/dbraw/zinc/53/53/93/618535393.db2.gz KIELLOUAHMOVAF-FUHWJXTLSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000892105371 618535403 /nfs/dbraw/zinc/53/54/03/618535403.db2.gz KIELLOUAHMOVAF-FUHWJXTLSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000892105371 618535409 /nfs/dbraw/zinc/53/54/09/618535409.db2.gz KIELLOUAHMOVAF-FUHWJXTLSA-N 2 1 274.452 3.260 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892446857 618787602 /nfs/dbraw/zinc/78/76/02/618787602.db2.gz MGNVTMMOZXXFTI-UHFFFAOYSA-N 2 1 288.357 3.441 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000235838262 618830136 /nfs/dbraw/zinc/83/01/36/618830136.db2.gz NLCFKHBSWPUATJ-INIZCTEOSA-N 2 1 260.425 3.173 20 0 CGADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000892585733 618867729 /nfs/dbraw/zinc/86/77/29/618867729.db2.gz WXZVOUXTGIYHOW-AWEZNQCLSA-N 2 1 280.412 3.032 20 0 CGADMP Fc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C(F)F ZINC000892606462 618872587 /nfs/dbraw/zinc/87/25/87/618872587.db2.gz AVBKHGMENUWTGM-CHWSQXEVSA-N 2 1 298.352 3.480 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C(F)F ZINC000892606462 618872589 /nfs/dbraw/zinc/87/25/89/618872589.db2.gz AVBKHGMENUWTGM-CHWSQXEVSA-N 2 1 298.352 3.480 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C(F)F ZINC000892606462 618872590 /nfs/dbraw/zinc/87/25/90/618872590.db2.gz AVBKHGMENUWTGM-CHWSQXEVSA-N 2 1 298.352 3.480 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000892668830 618894490 /nfs/dbraw/zinc/89/44/90/618894490.db2.gz REARDEJILLLZMH-NVXWUHKLSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](CNCc2cc(O)cc(Cl)c2)C1 ZINC000892944774 618959775 /nfs/dbraw/zinc/95/97/75/618959775.db2.gz VUQGEBPNPWADEP-ZDUSSCGKSA-N 2 1 296.842 3.256 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892944774 618959777 /nfs/dbraw/zinc/95/97/77/618959777.db2.gz VUQGEBPNPWADEP-ZDUSSCGKSA-N 2 1 296.842 3.256 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892944774 618959779 /nfs/dbraw/zinc/95/97/79/618959779.db2.gz VUQGEBPNPWADEP-ZDUSSCGKSA-N 2 1 296.842 3.256 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CCCCC(C)C ZINC000893029673 618980753 /nfs/dbraw/zinc/98/07/53/618980753.db2.gz ONBYTDHHVLSTEB-UHFFFAOYSA-N 2 1 251.418 3.388 20 0 CGADMP Cc1cc(C)cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000893070320 618988235 /nfs/dbraw/zinc/98/82/35/618988235.db2.gz GNACQESFGDYOKN-BPIHKTFHSA-N 2 1 286.463 3.449 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000925520250 619012583 /nfs/dbraw/zinc/01/25/83/619012583.db2.gz LQOMSVTZYAOICW-NHYWBVRUSA-N 2 1 291.826 3.094 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccccc1 ZINC000925698285 619150322 /nfs/dbraw/zinc/15/03/22/619150322.db2.gz RCBDLWCQSJOHRY-DMDPSCGWSA-N 2 1 274.330 3.253 20 0 CGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925735627 619209980 /nfs/dbraw/zinc/20/99/80/619209980.db2.gz HQKPNLQBCVEJQU-HNNXBMFYSA-N 2 1 296.842 3.359 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCCC1 ZINC000925793098 619250628 /nfs/dbraw/zinc/25/06/28/619250628.db2.gz HRZCJHLTQUODRQ-IRXDYDNUSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@]12C[C@H]1CCCC2)c1ccccc1 ZINC000925802904 619255052 /nfs/dbraw/zinc/25/50/52/619255052.db2.gz SZQNHEBOBOROQP-ORQFMDKSSA-N 2 1 258.409 3.245 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000261563372 619289365 /nfs/dbraw/zinc/28/93/65/619289365.db2.gz BURIIBKBSAGZSE-NRUUGDAUSA-N 2 1 285.229 3.226 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000261563369 619289115 /nfs/dbraw/zinc/28/91/15/619289115.db2.gz BURIIBKBSAGZSE-KWBADKCTSA-N 2 1 285.229 3.226 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000261559546 619289386 /nfs/dbraw/zinc/28/93/86/619289386.db2.gz DRSOZXUJUWDONS-GUBZILKMSA-N 2 1 260.303 3.092 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCS1 ZINC000925861694 619298648 /nfs/dbraw/zinc/29/86/48/619298648.db2.gz RWJAAJRILCWJLI-XLNGHYISSA-N 2 1 290.476 3.353 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCS1 ZINC000925861690 619298719 /nfs/dbraw/zinc/29/87/19/619298719.db2.gz RWJAAJRILCWJLI-MWQQHZPXSA-N 2 1 290.476 3.353 20 0 CGADMP CSCc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000894037838 619356038 /nfs/dbraw/zinc/35/60/38/619356038.db2.gz TVWWRZNVJBUMSW-KRWDZBQOSA-N 2 1 292.492 3.466 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CSC(C)(C)C ZINC000178701314 619375495 /nfs/dbraw/zinc/37/54/95/619375495.db2.gz OLWUOHVULKROIB-QWHCGFSZSA-N 2 1 283.485 3.337 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nccc2ccccc21 ZINC000894288166 619467335 /nfs/dbraw/zinc/46/73/35/619467335.db2.gz PDCOYKHDVLZWBS-UHFFFAOYSA-N 2 1 294.402 3.310 20 0 CGADMP CC[NH+](CC)Cc1ccc(NCc2c(C)cc[nH+]c2N)cc1 ZINC000894538953 619568505 /nfs/dbraw/zinc/56/85/05/619568505.db2.gz WEFZYXJAMZAROW-UHFFFAOYSA-N 2 1 298.434 3.426 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000894777480 619630871 /nfs/dbraw/zinc/63/08/71/619630871.db2.gz QDUSHDNLDOLXFJ-UHFFFAOYSA-N 2 1 298.434 3.072 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2c1NCCC2 ZINC000894777480 619630879 /nfs/dbraw/zinc/63/08/79/619630879.db2.gz QDUSHDNLDOLXFJ-UHFFFAOYSA-N 2 1 298.434 3.072 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)co1 ZINC000894779820 619632410 /nfs/dbraw/zinc/63/24/10/619632410.db2.gz PTQALMMKEGEPLW-UHFFFAOYSA-N 2 1 275.396 3.259 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)co1 ZINC000894779820 619632415 /nfs/dbraw/zinc/63/24/15/619632415.db2.gz PTQALMMKEGEPLW-UHFFFAOYSA-N 2 1 275.396 3.259 20 0 CGADMP CSCc1ccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000895841115 619891952 /nfs/dbraw/zinc/89/19/52/619891952.db2.gz DFVNIVCDUOOFPS-DLBZAZTESA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000895841115 619891953 /nfs/dbraw/zinc/89/19/53/619891953.db2.gz DFVNIVCDUOOFPS-DLBZAZTESA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000895841115 619891955 /nfs/dbraw/zinc/89/19/55/619891955.db2.gz DFVNIVCDUOOFPS-DLBZAZTESA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000895841115 619891958 /nfs/dbraw/zinc/89/19/58/619891958.db2.gz DFVNIVCDUOOFPS-DLBZAZTESA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000895841115 619891961 /nfs/dbraw/zinc/89/19/61/619891961.db2.gz DFVNIVCDUOOFPS-DLBZAZTESA-N 2 1 290.476 3.076 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000035011908 620223714 /nfs/dbraw/zinc/22/37/14/620223714.db2.gz CWAKRCZDVSVGGY-INIZCTEOSA-N 2 1 278.827 3.475 20 0 CGADMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000052381623 620327394 /nfs/dbraw/zinc/32/73/94/620327394.db2.gz RKIIOMHDUWDFJG-OAHLLOKOSA-N 2 1 260.425 3.417 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621754 620411527 /nfs/dbraw/zinc/41/15/27/620411527.db2.gz REKPVKWNLXUWON-WCIQWLHISA-N 2 1 298.474 3.380 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621754 620411529 /nfs/dbraw/zinc/41/15/29/620411529.db2.gz REKPVKWNLXUWON-WCIQWLHISA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621754 620411530 /nfs/dbraw/zinc/41/15/30/620411530.db2.gz REKPVKWNLXUWON-WCIQWLHISA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621754 620411532 /nfs/dbraw/zinc/41/15/32/620411532.db2.gz REKPVKWNLXUWON-WCIQWLHISA-N 2 1 298.474 3.380 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)CC1(C)C ZINC000897772325 620426497 /nfs/dbraw/zinc/42/64/97/620426497.db2.gz RBCSEZKYLIOSTO-UONOGXRCSA-N 2 1 250.430 3.172 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCC3(CC3)C2)s1 ZINC000897772111 620426869 /nfs/dbraw/zinc/42/68/69/620426869.db2.gz MENLUIBCMWEZMG-GFCCVEGCSA-N 2 1 279.453 3.017 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000897955003 620454895 /nfs/dbraw/zinc/45/48/95/620454895.db2.gz NTSFPOFHHJBIJP-NZSAHSFTSA-N 2 1 284.447 3.429 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(C)c1 ZINC000897985478 620462713 /nfs/dbraw/zinc/46/27/13/620462713.db2.gz NRTKIDXZFBNDKN-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC(F)(F)C2)CC1(C)C ZINC000898013769 620465838 /nfs/dbraw/zinc/46/58/38/620465838.db2.gz HWTZRKWLOZGNQE-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1cccc2c1[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000924647391 620555228 /nfs/dbraw/zinc/55/52/28/620555228.db2.gz JLPFMPWIAKYSBI-PBHICJAKSA-N 2 1 270.420 3.056 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000924689486 620563383 /nfs/dbraw/zinc/56/33/83/620563383.db2.gz YLWCECWSROUMGO-DLBZAZTESA-N 2 1 289.467 3.114 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000924712623 620572326 /nfs/dbraw/zinc/57/23/26/620572326.db2.gz JCAIIPWJRMLPMF-PMPSAXMXSA-N 2 1 275.440 3.386 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCc2c1nccc2Cl)C[NH+]1CCCC1 ZINC000924713216 620572457 /nfs/dbraw/zinc/57/24/57/620572457.db2.gz CSIFPVUUWNFONF-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000902057471 621123182 /nfs/dbraw/zinc/12/31/82/621123182.db2.gz LQLORFHDUIUUAK-UHFFFAOYSA-N 2 1 289.467 3.247 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000902415839 621308389 /nfs/dbraw/zinc/30/83/89/621308389.db2.gz KSSBKHIUYOTSLU-LLVKDONJSA-N 2 1 271.191 3.062 20 0 CGADMP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC000902461538 621336120 /nfs/dbraw/zinc/33/61/20/621336120.db2.gz OLPAMWXNJPSYCF-UVLCOCDESA-N 2 1 290.838 3.459 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCCC1)C2 ZINC000903055296 621545072 /nfs/dbraw/zinc/54/50/72/621545072.db2.gz BGAYGKXFKAMNPD-ZXFUBFMLSA-N 2 1 262.441 3.457 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903059676 621548006 /nfs/dbraw/zinc/54/80/06/621548006.db2.gz OCTGXNSBTGZSHP-YJBOKZPZSA-N 2 1 287.451 3.387 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903059676 621548009 /nfs/dbraw/zinc/54/80/09/621548009.db2.gz OCTGXNSBTGZSHP-YJBOKZPZSA-N 2 1 287.451 3.387 20 0 CGADMP C(CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903061370 621549983 /nfs/dbraw/zinc/54/99/83/621549983.db2.gz DUSBHNTYANYPRD-ZXFUBFMLSA-N 2 1 262.441 3.314 20 0 CGADMP CCCC(O)(CCC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098988 621571782 /nfs/dbraw/zinc/57/17/82/621571782.db2.gz WSDAVDCCTKSHPM-ZXFUBFMLSA-N 2 1 294.483 3.065 20 0 CGADMP c1ccc(C[C@H]2C[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903122371 621589300 /nfs/dbraw/zinc/58/93/00/621589300.db2.gz YSJDGDMKPFJCKO-AEOXZHQRSA-N 2 1 296.458 3.365 20 0 CGADMP CSCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151991 621611232 /nfs/dbraw/zinc/61/12/32/621611232.db2.gz LLXWSXRSHZSZOG-VHRNVKJDSA-N 2 1 282.497 3.267 20 0 CGADMP C1=C(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903176879 621613640 /nfs/dbraw/zinc/61/36/40/621613640.db2.gz FOUVVJTYUGOGTR-ZXFUBFMLSA-N 2 1 260.425 3.234 20 0 CGADMP C[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903168160 621617763 /nfs/dbraw/zinc/61/77/63/621617763.db2.gz SYRFLAPSBRLPHE-AZGATIOISA-N 2 1 262.441 3.170 20 0 CGADMP FC1(F)CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903167628 621617796 /nfs/dbraw/zinc/61/77/96/621617796.db2.gz MXUKLXDNZJXMJO-YPRXJGMQSA-N 2 1 284.394 3.169 20 0 CGADMP CCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903195199 621622328 /nfs/dbraw/zinc/62/23/28/621622328.db2.gz WJDREAKYHZGEHL-JLYLLQBASA-N 2 1 284.447 3.496 20 0 CGADMP CC[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903198419 621623340 /nfs/dbraw/zinc/62/33/40/621623340.db2.gz CIGWIPDAYYBXJL-WYQXTGKHSA-N 2 1 250.430 3.170 20 0 CGADMP C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903219493 621633285 /nfs/dbraw/zinc/63/32/85/621633285.db2.gz GZOPGSLCVWVPMQ-DHSXIMMHSA-N 2 1 274.452 3.170 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC000903219755 621633327 /nfs/dbraw/zinc/63/33/27/621633327.db2.gz JSZDPGGIVXVKFB-SDSUSHJISA-N 2 1 274.452 3.313 20 0 CGADMP C[C@@H]1CC=CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903413403 621734280 /nfs/dbraw/zinc/73/42/80/621734280.db2.gz LZBSUXQASMYYNG-IBWRZXHSSA-N 2 1 260.425 3.089 20 0 CGADMP CCSc1ccccc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000903427182 621741383 /nfs/dbraw/zinc/74/13/83/621741383.db2.gz UKWNYIRCPPEYES-OAHLLOKOSA-N 2 1 264.438 3.016 20 0 CGADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCc2ccccc21 ZINC000903426747 621741768 /nfs/dbraw/zinc/74/17/68/621741768.db2.gz MOOHECRRZXSTTC-KMFMINBZSA-N 2 1 258.409 3.123 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000903437097 621745965 /nfs/dbraw/zinc/74/59/65/621745965.db2.gz DMCDHUHNJDFUJN-JGGQBBKZSA-N 2 1 278.827 3.257 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000903461585 621752699 /nfs/dbraw/zinc/75/26/99/621752699.db2.gz VCQRCRBEPFBPIN-TZMCWYRMSA-N 2 1 264.438 3.110 20 0 CGADMP FC1(F)CCCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481823 621765154 /nfs/dbraw/zinc/76/51/54/621765154.db2.gz NSCUKYMDKNSTAP-STQMWFEESA-N 2 1 272.383 3.076 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2cccc(F)c2)C2CCC2)C1 ZINC000903570091 621768824 /nfs/dbraw/zinc/76/88/24/621768824.db2.gz RBHFCRBYRPHPMP-GOEBONIOSA-N 2 1 276.399 3.308 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903718590 621796040 /nfs/dbraw/zinc/79/60/40/621796040.db2.gz PFTJHPKMNLWVAF-YJBOKZPZSA-N 2 1 288.435 3.222 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000903723850 621796762 /nfs/dbraw/zinc/79/67/62/621796762.db2.gz YRIVVELMLBOJFJ-HUUCEWRRSA-N 2 1 276.424 3.165 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CF)[C@@H]1CC[NH3+] ZINC000903764286 621803252 /nfs/dbraw/zinc/80/32/52/621803252.db2.gz QWHIITVEPGPNHL-CZUORRHYSA-N 2 1 264.388 3.105 20 0 CGADMP Clc1cccc2c1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000903829616 621818484 /nfs/dbraw/zinc/81/84/84/621818484.db2.gz IISFZHPDCTVAFR-UHFFFAOYSA-N 2 1 264.800 3.045 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903889282 621823164 /nfs/dbraw/zinc/82/31/64/621823164.db2.gz QFTMSEXENKNJTL-ZDUSSCGKSA-N 2 1 288.357 3.409 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903889282 621823167 /nfs/dbraw/zinc/82/31/67/621823167.db2.gz QFTMSEXENKNJTL-ZDUSSCGKSA-N 2 1 288.357 3.409 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000903890291 621823832 /nfs/dbraw/zinc/82/38/32/621823832.db2.gz BEVDEVAMRCOGTF-CABCVRRESA-N 2 1 282.378 3.239 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000903890291 621823835 /nfs/dbraw/zinc/82/38/35/621823835.db2.gz BEVDEVAMRCOGTF-CABCVRRESA-N 2 1 282.378 3.239 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903875941 621825475 /nfs/dbraw/zinc/82/54/75/621825475.db2.gz UJSOYYYMIZBPNX-SJORKVTESA-N 2 1 282.472 3.034 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000903897984 621829098 /nfs/dbraw/zinc/82/90/98/621829098.db2.gz KWQNCUVIAIFITF-CVEARBPZSA-N 2 1 296.405 3.456 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000903897984 621829099 /nfs/dbraw/zinc/82/90/99/621829099.db2.gz KWQNCUVIAIFITF-CVEARBPZSA-N 2 1 296.405 3.456 20 0 CGADMP Cc1cccc([C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000903912696 621832699 /nfs/dbraw/zinc/83/26/99/621832699.db2.gz HPZQCDLHRVBJLT-SCDLOJPASA-N 2 1 284.447 3.315 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955817 621842937 /nfs/dbraw/zinc/84/29/37/621842937.db2.gz ZMNPHYGYSQIQMW-MRXNPFEDSA-N 2 1 296.405 3.220 20 0 CGADMP CCCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972689 621843822 /nfs/dbraw/zinc/84/38/22/621843822.db2.gz JZTNMKRNUDWXLJ-CVEARBPZSA-N 2 1 282.472 3.094 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309652 621902787 /nfs/dbraw/zinc/90/27/87/621902787.db2.gz OKBDNGRCFRVSEU-AKAXFMLLSA-N 2 1 254.377 3.009 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307908 621903123 /nfs/dbraw/zinc/90/31/23/621903123.db2.gz YSTWURKWLXKLGG-BZPMIXESSA-N 2 1 258.365 3.163 20 0 CGADMP Cc1ccc([C@H]2CCCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904320602 621905238 /nfs/dbraw/zinc/90/52/38/621905238.db2.gz MSEVJCHSJJJMGA-HYVNUMGLSA-N 2 1 258.409 3.259 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](CC[NH3+])C3)ccc2c1 ZINC000904409693 621919451 /nfs/dbraw/zinc/91/94/51/621919451.db2.gz GHNWCVCRNVDYJL-CQSZACIVSA-N 2 1 284.403 3.019 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c2ccccc12 ZINC000904412676 621919589 /nfs/dbraw/zinc/91/95/89/621919589.db2.gz WDUFCKHLYIXLJA-CABCVRRESA-N 2 1 298.430 3.265 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906593394 622249390 /nfs/dbraw/zinc/24/93/90/622249390.db2.gz VHZWBQIOWRZKRQ-QGTPRVQTSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906593394 622249394 /nfs/dbraw/zinc/24/93/94/622249394.db2.gz VHZWBQIOWRZKRQ-QGTPRVQTSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906593394 622249398 /nfs/dbraw/zinc/24/93/98/622249398.db2.gz VHZWBQIOWRZKRQ-QGTPRVQTSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906593394 622249402 /nfs/dbraw/zinc/24/94/02/622249402.db2.gz VHZWBQIOWRZKRQ-QGTPRVQTSA-N 2 1 290.426 3.345 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC000229060757 623095969 /nfs/dbraw/zinc/09/59/69/623095969.db2.gz UJMLTONQUZXSLZ-PSOPSSQASA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]21 ZINC000229060757 623095976 /nfs/dbraw/zinc/09/59/76/623095976.db2.gz UJMLTONQUZXSLZ-PSOPSSQASA-N 2 1 282.790 3.038 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232752067 623525748 /nfs/dbraw/zinc/52/57/48/623525748.db2.gz ALUJBDKJTFVNFI-DOTOQJQBSA-N 2 1 260.425 3.285 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2)[C@H](C)C1 ZINC000764614466 623921015 /nfs/dbraw/zinc/92/10/15/623921015.db2.gz CRCLOXAUSGWKNS-WBVHZDCISA-N 2 1 292.492 3.240 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]CCc1ccccc1)C1CCCCC1 ZINC000915684412 624021543 /nfs/dbraw/zinc/02/15/43/624021543.db2.gz KWRKONJOYAYXFH-GOSISDBHSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1CCC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000251694364 624874804 /nfs/dbraw/zinc/87/48/04/624874804.db2.gz HIIVZAABWVXPSV-BFZKSOEOSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252171006 624878465 /nfs/dbraw/zinc/87/84/65/624878465.db2.gz NYDAPEKHKVSDKX-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170109 625061643 /nfs/dbraw/zinc/06/16/43/625061643.db2.gz XCQUECKMFIKWPZ-UHFFFAOYSA-N 2 1 290.451 3.222 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000922169954 625978104 /nfs/dbraw/zinc/97/81/04/625978104.db2.gz AYHIEXDGAXKYAS-DZGCQCFKSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@]1(Cc2cccs2)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000923272230 626142063 /nfs/dbraw/zinc/14/20/63/626142063.db2.gz DZMQTGNTETXHBH-MRXNPFEDSA-N 2 1 278.465 3.145 20 0 CGADMP CCc1cnc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000923327213 626146320 /nfs/dbraw/zinc/14/63/20/626146320.db2.gz QTBWESRVNMJUID-AGUYFDCRSA-N 2 1 293.480 3.058 20 0 CGADMP CC[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@@H]1[NH3+] ZINC000923344971 626148969 /nfs/dbraw/zinc/14/89/69/626148969.db2.gz LPPPYUJKNNQLNJ-GJZGRUSLSA-N 2 1 250.430 3.016 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923415923 626151063 /nfs/dbraw/zinc/15/10/63/626151063.db2.gz XMZWIDHCNSFEMN-HZPDHXFCSA-N 2 1 262.441 3.031 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923415923 626151065 /nfs/dbraw/zinc/15/10/65/626151065.db2.gz XMZWIDHCNSFEMN-HZPDHXFCSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499298 626159415 /nfs/dbraw/zinc/15/94/15/626159415.db2.gz RZVZKCQFKUIGQC-DYEKYZERSA-N 2 1 298.377 3.266 20 0 CGADMP CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923524924 626161181 /nfs/dbraw/zinc/16/11/81/626161181.db2.gz AXLMZYQZVFADFZ-DOTOQJQBSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@]1(Cc2cccs2)CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923531695 626161519 /nfs/dbraw/zinc/16/15/19/626161519.db2.gz SHRQRTIUJCJYHA-GOEBONIOSA-N 2 1 278.465 3.145 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000765075689 627239371 /nfs/dbraw/zinc/23/93/71/627239371.db2.gz VLWRLWBPMQTPDB-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000765790575 627270782 /nfs/dbraw/zinc/27/07/82/627270782.db2.gz GHCQCBVZRVMWIF-SQNIBIBYSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000765790575 627270786 /nfs/dbraw/zinc/27/07/86/627270786.db2.gz GHCQCBVZRVMWIF-SQNIBIBYSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000766080349 627293087 /nfs/dbraw/zinc/29/30/87/627293087.db2.gz DQXWLAKDGRCUPF-GOSISDBHSA-N 2 1 287.451 3.243 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000772951859 627834743 /nfs/dbraw/zinc/83/47/43/627834743.db2.gz PCMMVLOXSDKOBY-FUHWJXTLSA-N 2 1 290.451 3.084 20 0 CGADMP CC[C@](C)([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000775386332 628088520 /nfs/dbraw/zinc/08/85/20/628088520.db2.gz DADMYWFYTWQQKH-KRWDZBQOSA-N 2 1 271.408 3.497 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622070 628115382 /nfs/dbraw/zinc/11/53/82/628115382.db2.gz PHYJCEDERZHXBE-KGLIPLIRSA-N 2 1 271.408 3.160 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1nccc2ccccc21 ZINC000775919812 628147906 /nfs/dbraw/zinc/14/79/06/628147906.db2.gz PJGYSPGUVCTYJR-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1nccc2ccccc21 ZINC000775919812 628147911 /nfs/dbraw/zinc/14/79/11/628147911.db2.gz PJGYSPGUVCTYJR-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783225043 628690148 /nfs/dbraw/zinc/69/01/48/628690148.db2.gz UNHZIYIUVCYURT-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000783229368 628690776 /nfs/dbraw/zinc/69/07/76/628690776.db2.gz FPQOMMHGCPZURC-IIAWOOMASA-N 2 1 278.465 3.348 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000783229368 628690778 /nfs/dbraw/zinc/69/07/78/628690778.db2.gz FPQOMMHGCPZURC-IIAWOOMASA-N 2 1 278.465 3.348 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000783291339 628699692 /nfs/dbraw/zinc/69/96/92/628699692.db2.gz OZLHJWWZLQHVGQ-CTASWTNQSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000788480599 629058231 /nfs/dbraw/zinc/05/82/31/629058231.db2.gz ARKZGNFWIZAPSP-PBHICJAKSA-N 2 1 258.409 3.021 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790049151 629180019 /nfs/dbraw/zinc/18/00/19/629180019.db2.gz MRGUSFNNBOJXTK-ZBFHGGJFSA-N 2 1 260.425 3.036 20 0 CGADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863557912 629604624 /nfs/dbraw/zinc/60/46/24/629604624.db2.gz SQLRLIGYTOGYCC-OKZBNKHCSA-N 2 1 272.436 3.241 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCCCCCC2)s1 ZINC000796256032 629758180 /nfs/dbraw/zinc/75/81/80/629758180.db2.gz GXYXTZAPIJFSGO-UHFFFAOYSA-N 2 1 281.469 3.407 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)SC ZINC000796784471 629833697 /nfs/dbraw/zinc/83/36/97/629833697.db2.gz VTLUNSGPJLILDJ-KFWWJZLASA-N 2 1 284.513 3.371 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865449841 630130962 /nfs/dbraw/zinc/13/09/62/630130962.db2.gz GQWCCIQEBWFFPT-LBPRGKRZSA-N 2 1 299.821 3.084 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865449841 630130970 /nfs/dbraw/zinc/13/09/70/630130970.db2.gz GQWCCIQEBWFFPT-LBPRGKRZSA-N 2 1 299.821 3.084 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000865601024 630212143 /nfs/dbraw/zinc/21/21/43/630212143.db2.gz XHDPDSAYOFLIQV-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cncc2ccccc21 ZINC000809765305 630802821 /nfs/dbraw/zinc/80/28/21/630802821.db2.gz MISPZXNXUKTWMR-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cncc2ccccc21 ZINC000809765305 630802826 /nfs/dbraw/zinc/80/28/26/630802826.db2.gz MISPZXNXUKTWMR-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cncc2ccccc21 ZINC000809765305 630802830 /nfs/dbraw/zinc/80/28/30/630802830.db2.gz MISPZXNXUKTWMR-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cncc2ccccc21 ZINC000809765305 630802836 /nfs/dbraw/zinc/80/28/36/630802836.db2.gz MISPZXNXUKTWMR-RDTXWAMCSA-N 2 1 283.419 3.007 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC000815147131 631729918 /nfs/dbraw/zinc/72/99/18/631729918.db2.gz XDQSLIHTVJOWGL-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(CF)cc3)C2)C1 ZINC000815147131 631729923 /nfs/dbraw/zinc/72/99/23/631729923.db2.gz XDQSLIHTVJOWGL-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(CF)cc3)C2)C1 ZINC000815147131 631729930 /nfs/dbraw/zinc/72/99/30/631729930.db2.gz XDQSLIHTVJOWGL-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000815559195 631795657 /nfs/dbraw/zinc/79/56/57/631795657.db2.gz ZXXPBXSVNZSMJJ-KBPBESRZSA-N 2 1 276.399 3.269 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(SC(F)F)cc1 ZINC000817960605 632256484 /nfs/dbraw/zinc/25/64/84/632256484.db2.gz OSEJMUGJKKLQDS-VIFPVBQESA-N 2 1 274.380 3.389 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000817972225 632266629 /nfs/dbraw/zinc/26/66/29/632266629.db2.gz VGANSJSPKUHJGM-RANZSIQMSA-N 2 1 272.436 3.443 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1 ZINC000817982280 632272694 /nfs/dbraw/zinc/27/26/94/632272694.db2.gz QSWHVPUYPWJPJG-DZUCGIPZSA-N 2 1 264.457 3.452 20 0 CGADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)CC[C@@H]1CCCC[NH+]1C ZINC000822640509 632994681 /nfs/dbraw/zinc/99/46/81/632994681.db2.gz ZXXMPRNADVTWIJ-OLZOCXBDSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000822640509 632994716 /nfs/dbraw/zinc/99/47/16/632994716.db2.gz ZXXMPRNADVTWIJ-OLZOCXBDSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)CC[C@@H]1CCCC[N@H+]1C ZINC000822640509 632994725 /nfs/dbraw/zinc/99/47/25/632994725.db2.gz ZXXMPRNADVTWIJ-OLZOCXBDSA-N 2 1 293.282 3.377 20 0 CGADMP Cc1cc(NC[C@H]2c3ccccc3C[N@H+]2C)nc(C2CC2)n1 ZINC000866193194 633023381 /nfs/dbraw/zinc/02/33/81/633023381.db2.gz BGFSVUZRCIIHCF-INIZCTEOSA-N 2 1 294.402 3.261 20 0 CGADMP Cc1cc(NC[C@H]2c3ccccc3C[N@@H+]2C)nc(C2CC2)n1 ZINC000866193194 633023384 /nfs/dbraw/zinc/02/33/84/633023384.db2.gz BGFSVUZRCIIHCF-INIZCTEOSA-N 2 1 294.402 3.261 20 0 CGADMP C[C@H](CCc1cncc2ccccc21)[NH2+]C1CC[NH+](C)CC1 ZINC000866217159 633032691 /nfs/dbraw/zinc/03/26/91/633032691.db2.gz DHCSMNASCHLIQH-OAHLLOKOSA-N 2 1 297.446 3.240 20 0 CGADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]C1CC[NH+](C)CC1 ZINC000866217157 633032836 /nfs/dbraw/zinc/03/28/36/633032836.db2.gz DHCSMNASCHLIQH-HNNXBMFYSA-N 2 1 297.446 3.240 20 0 CGADMP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000866217877 633033009 /nfs/dbraw/zinc/03/30/09/633033009.db2.gz ITEYRSYFPSYRNT-SJCJKPOMSA-N 2 1 276.399 3.133 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000866239860 633040063 /nfs/dbraw/zinc/04/00/63/633040063.db2.gz VUGOPHAVFZGDMS-QGZVFWFLSA-N 2 1 287.382 3.388 20 0 CGADMP CC(C)[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccn1 ZINC000866346415 633090676 /nfs/dbraw/zinc/09/06/76/633090676.db2.gz LQFLBKPKPIMUTQ-QGZVFWFLSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000866585661 633202788 /nfs/dbraw/zinc/20/27/88/633202788.db2.gz ZSUXUYWFWMYIKO-UAGQMJEPSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866585661 633202793 /nfs/dbraw/zinc/20/27/93/633202793.db2.gz ZSUXUYWFWMYIKO-UAGQMJEPSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866585661 633202797 /nfs/dbraw/zinc/20/27/97/633202797.db2.gz ZSUXUYWFWMYIKO-UAGQMJEPSA-N 2 1 258.409 3.082 20 0 CGADMP FC(F)C1CC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000827259140 633475959 /nfs/dbraw/zinc/47/59/59/633475959.db2.gz CCYWNJYEFHAKSM-CPCZMJQVSA-N 2 1 272.383 3.027 20 0 CGADMP FC(F)C1CC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000827259140 633475962 /nfs/dbraw/zinc/47/59/62/633475962.db2.gz CCYWNJYEFHAKSM-CPCZMJQVSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872017797 633938928 /nfs/dbraw/zinc/93/89/28/633938928.db2.gz DZFLXLQJPAXUTI-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCCOC1 ZINC000872023275 633943124 /nfs/dbraw/zinc/94/31/24/633943124.db2.gz DVNCFPXDCHEIDE-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCCOC1 ZINC000872023275 633943128 /nfs/dbraw/zinc/94/31/28/633943128.db2.gz DVNCFPXDCHEIDE-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000872025479 633945721 /nfs/dbraw/zinc/94/57/21/633945721.db2.gz NMZDZIKRQZKNEA-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2C=CCC2)[C@@H](C)C1 ZINC000872105803 634027220 /nfs/dbraw/zinc/02/72/20/634027220.db2.gz BZIFWROKBWODDM-JYJNAYRXSA-N 2 1 250.430 3.053 20 0 CGADMP [NH3+]CCCCCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000846218538 636161457 /nfs/dbraw/zinc/16/14/57/636161457.db2.gz XVKMPFFHTULHIX-OAHLLOKOSA-N 2 1 296.480 3.248 20 0 CGADMP Cc1ccc2c(ccc(C)c2C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000872141879 634064698 /nfs/dbraw/zinc/06/46/98/634064698.db2.gz XTKBHWFSBSLQGU-OAHLLOKOSA-N 2 1 268.404 3.237 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872157723 634066992 /nfs/dbraw/zinc/06/69/92/634066992.db2.gz PWYLTJVQDSCQCI-YOEHRIQHSA-N 2 1 291.439 3.103 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)C1CCCC1 ZINC000872157527 634067046 /nfs/dbraw/zinc/06/70/46/634067046.db2.gz PHCYPXXUWVWCFF-MAUKXSAKSA-N 2 1 287.451 3.201 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2cscn2)C1)C1CCCC1 ZINC000872156394 634067328 /nfs/dbraw/zinc/06/73/28/634067328.db2.gz IWOVIFOOVOQLPW-CZUORRHYSA-N 2 1 293.480 3.263 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2cscn2)C1)C1CCCC1 ZINC000872156394 634067335 /nfs/dbraw/zinc/06/73/35/634067335.db2.gz IWOVIFOOVOQLPW-CZUORRHYSA-N 2 1 293.480 3.263 20 0 CGADMP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872523650 634161901 /nfs/dbraw/zinc/16/19/01/634161901.db2.gz SLBNUNWIXQQOPD-CQSZACIVSA-N 2 1 282.391 3.077 20 0 CGADMP CC(C)[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CCC1 ZINC000873210927 634286694 /nfs/dbraw/zinc/28/66/94/634286694.db2.gz SIRVGWDWGPAVMO-UHFFFAOYSA-N 2 1 278.465 3.404 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000873223068 634290583 /nfs/dbraw/zinc/29/05/83/634290583.db2.gz HOBGQCYCOVNUJF-IBGZPJMESA-N 2 1 297.446 3.432 20 0 CGADMP C[C@H](CC[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)c1ccccc1 ZINC000873231012 634292290 /nfs/dbraw/zinc/29/22/90/634292290.db2.gz DKEKPGABEFAAKO-HYVNUMGLSA-N 2 1 258.409 3.054 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1)C1CCCC1 ZINC000873232482 634294728 /nfs/dbraw/zinc/29/47/28/634294728.db2.gz RDFYHBPJJAJMHL-XYJFISCASA-N 2 1 294.483 3.033 20 0 CGADMP Cc1ccsc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000019912962 634376663 /nfs/dbraw/zinc/37/66/63/634376663.db2.gz ZHHZRXCHKFRAGK-AWEZNQCLSA-N 2 1 266.454 3.411 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)SC)C[C@@H]1C ZINC000876760092 634893856 /nfs/dbraw/zinc/89/38/56/634893856.db2.gz RZMJHHLDEWETOQ-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)SC)C[C@@H]1C ZINC000876760092 634893858 /nfs/dbraw/zinc/89/38/58/634893858.db2.gz RZMJHHLDEWETOQ-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)SC)C[C@@H]1C ZINC000876760092 634893861 /nfs/dbraw/zinc/89/38/61/634893861.db2.gz RZMJHHLDEWETOQ-UONOGXRCSA-N 2 1 272.502 3.323 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000876943283 634933399 /nfs/dbraw/zinc/93/33/99/634933399.db2.gz OQARNPLYZGVAFV-FUHWJXTLSA-N 2 1 290.451 3.084 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cn1 ZINC000126485684 635032584 /nfs/dbraw/zinc/03/25/84/635032584.db2.gz SXFWTYPTINDKJP-KRWDZBQOSA-N 2 1 284.407 3.100 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1Cl ZINC000840807863 635055376 /nfs/dbraw/zinc/05/53/76/635055376.db2.gz HETQRPNAHYKONF-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccnc(Cl)c1 ZINC000840807798 635055552 /nfs/dbraw/zinc/05/55/52/635055552.db2.gz GJTWXUXQRKNYHJ-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)C2CCCCCCC2)CC[NH2+]1 ZINC000841008020 635105484 /nfs/dbraw/zinc/10/54/84/635105484.db2.gz XFCMQWXEMUPZGV-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cncc2ccccc21)C1CCCCC1 ZINC000841039201 635112504 /nfs/dbraw/zinc/11/25/04/635112504.db2.gz FGYVCIKRQDDWIB-GOSISDBHSA-N 2 1 283.419 3.232 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000877742076 635177229 /nfs/dbraw/zinc/17/72/29/635177229.db2.gz OFRFWCOZRCGGRD-UNEWFSDZSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000877742076 635177234 /nfs/dbraw/zinc/17/72/34/635177234.db2.gz OFRFWCOZRCGGRD-UNEWFSDZSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC000877742076 635177239 /nfs/dbraw/zinc/17/72/39/635177239.db2.gz OFRFWCOZRCGGRD-UNEWFSDZSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC000877742076 635177241 /nfs/dbraw/zinc/17/72/41/635177241.db2.gz OFRFWCOZRCGGRD-UNEWFSDZSA-N 2 1 292.854 3.470 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743389 635179657 /nfs/dbraw/zinc/17/96/57/635179657.db2.gz VLUMOIDXUWKFQE-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743389 635179661 /nfs/dbraw/zinc/17/96/61/635179661.db2.gz VLUMOIDXUWKFQE-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743389 635179666 /nfs/dbraw/zinc/17/96/66/635179666.db2.gz VLUMOIDXUWKFQE-AKHDSKFASA-N 2 1 284.447 3.206 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc2cccnc12 ZINC000877743751 635180736 /nfs/dbraw/zinc/18/07/36/635180736.db2.gz YDRGFTQJFUMCII-ZWKOTPCHSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc2cccnc12 ZINC000877743751 635180742 /nfs/dbraw/zinc/18/07/42/635180742.db2.gz YDRGFTQJFUMCII-ZWKOTPCHSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc2cccnc12 ZINC000877743751 635180745 /nfs/dbraw/zinc/18/07/45/635180745.db2.gz YDRGFTQJFUMCII-ZWKOTPCHSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc2cccnc12 ZINC000877743751 635180752 /nfs/dbraw/zinc/18/07/52/635180752.db2.gz YDRGFTQJFUMCII-ZWKOTPCHSA-N 2 1 295.430 3.069 20 0 CGADMP Cc1ncccc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767263 635193151 /nfs/dbraw/zinc/19/31/51/635193151.db2.gz FEWKBYGSHUZQQY-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP CC(C)(C)SCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878125049 635368380 /nfs/dbraw/zinc/36/83/80/635368380.db2.gz LZXKRRCRYUHZLL-HNNXBMFYSA-N 2 1 284.513 3.326 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000878132997 635371912 /nfs/dbraw/zinc/37/19/12/635371912.db2.gz DWWGHPOQENGCTG-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000842472705 635377367 /nfs/dbraw/zinc/37/73/67/635377367.db2.gz ITNDZJINXWPOSM-INIZCTEOSA-N 2 1 288.435 3.004 20 0 CGADMP COc1ccccc1[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842473295 635378258 /nfs/dbraw/zinc/37/82/58/635378258.db2.gz SZNYPVFHCSNZDW-MRXNPFEDSA-N 2 1 290.451 3.394 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878164417 635389550 /nfs/dbraw/zinc/38/95/50/635389550.db2.gz HDPNBPAAMHPFIW-INIZCTEOSA-N 2 1 282.472 3.140 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878236277 635427251 /nfs/dbraw/zinc/42/72/51/635427251.db2.gz WMGGEIHCGLHMOI-ZDUSSCGKSA-N 2 1 274.399 3.274 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CC[C@H]1CCCC1(F)F)CC2 ZINC000878340603 635466795 /nfs/dbraw/zinc/46/67/95/635466795.db2.gz XWDSALJDCAXIND-CQSZACIVSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CC[C@H]1CCCC1(F)F)CC2 ZINC000878340603 635466801 /nfs/dbraw/zinc/46/68/01/635466801.db2.gz XWDSALJDCAXIND-CQSZACIVSA-N 2 1 286.410 3.372 20 0 CGADMP C[C@@H]([NH2+]CCCC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412425 635496575 /nfs/dbraw/zinc/49/65/75/635496575.db2.gz VADIJNPDGXRMFM-ZBFHGGJFSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843054709 635551359 /nfs/dbraw/zinc/55/13/59/635551359.db2.gz CJLVPCZQZPODMJ-ODIFPOPNSA-N 2 1 260.425 3.067 20 0 CGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843056080 635553301 /nfs/dbraw/zinc/55/33/01/635553301.db2.gz XXYFFWDWOJSHOR-UHFFFAOYSA-N 2 1 298.434 3.087 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1F ZINC000843358143 635654076 /nfs/dbraw/zinc/65/40/76/635654076.db2.gz FNGGIHMDWBKCDG-KRWDZBQOSA-N 2 1 294.389 3.491 20 0 CGADMP Cc1cncc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000879703582 635838937 /nfs/dbraw/zinc/83/89/37/635838937.db2.gz OZBFZZXSLWSNDE-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP Cc1csc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000880010095 635898227 /nfs/dbraw/zinc/89/82/27/635898227.db2.gz UJSIDARHXCTZPQ-OAHLLOKOSA-N 2 1 293.480 3.117 20 0 CGADMP Cc1csc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000880010095 635898230 /nfs/dbraw/zinc/89/82/30/635898230.db2.gz UJSIDARHXCTZPQ-OAHLLOKOSA-N 2 1 293.480 3.117 20 0 CGADMP C(C1CCCCCC1)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880204266 635937011 /nfs/dbraw/zinc/93/70/11/635937011.db2.gz SHSVNCWIOAOZQA-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880204266 635937015 /nfs/dbraw/zinc/93/70/15/635937015.db2.gz SHSVNCWIOAOZQA-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1c[nH+]ccc1N ZINC000844922628 635984871 /nfs/dbraw/zinc/98/48/71/635984871.db2.gz BLEJREYMQKBZRD-NXEZZACHSA-N 2 1 288.222 3.119 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1CC(F)(F)C1 ZINC000880517367 636013391 /nfs/dbraw/zinc/01/33/91/636013391.db2.gz PEAKYDBYVGCGGV-UHFFFAOYSA-N 2 1 274.399 3.230 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000880517625 636013435 /nfs/dbraw/zinc/01/34/35/636013435.db2.gz VJAIYZRRJSPIRW-OKZBNKHCSA-N 2 1 294.483 3.142 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000846221579 636163306 /nfs/dbraw/zinc/16/33/06/636163306.db2.gz DNVQGMMOLKSEPQ-UHFFFAOYSA-N 2 1 282.378 3.232 20 0 CGADMP C[C@@H](Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883345460 636690044 /nfs/dbraw/zinc/69/00/44/636690044.db2.gz COOSOKVIVWDFIE-RDTXWAMCSA-N 2 1 285.435 3.181 20 0 CGADMP CC1(CNc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883344846 636690550 /nfs/dbraw/zinc/69/05/50/636690550.db2.gz KJQPNDHFSRJYNE-KRWDZBQOSA-N 2 1 285.435 3.183 20 0 CGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCn2cc[nH+]c2C)cc1 ZINC000849000117 636710545 /nfs/dbraw/zinc/71/05/45/636710545.db2.gz PBZISBNTAXQNCP-CYBMUJFWSA-N 2 1 299.422 3.341 20 0 CGADMP Cc1cc(C[N@@H+]2CC[NH2+]CCC23CCC3)c(C)s1 ZINC000883458593 636761032 /nfs/dbraw/zinc/76/10/32/636761032.db2.gz PPHCIANZTFGXNI-UHFFFAOYSA-N 2 1 264.438 3.083 20 0 CGADMP Cc1cc(C[N@H+]2CC[NH2+]CCC23CCC3)c(C)s1 ZINC000883458593 636761040 /nfs/dbraw/zinc/76/10/40/636761040.db2.gz PPHCIANZTFGXNI-UHFFFAOYSA-N 2 1 264.438 3.083 20 0 CGADMP c1ccc([C@@H]2CSCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000883461140 636761197 /nfs/dbraw/zinc/76/11/97/636761197.db2.gz OMKXROJDVFKJJY-RDJZCZTQSA-N 2 1 290.476 3.166 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850423717 637055973 /nfs/dbraw/zinc/05/59/73/637055973.db2.gz CFSXMVHZAPPHLU-HNNXBMFYSA-N 2 1 290.451 3.393 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C=CCC1 ZINC000850511646 637097531 /nfs/dbraw/zinc/09/75/31/637097531.db2.gz KJXIGOINNDEGLC-KBAYOESNSA-N 2 1 270.420 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C=CCC1 ZINC000850511646 637097535 /nfs/dbraw/zinc/09/75/35/637097535.db2.gz KJXIGOINNDEGLC-KBAYOESNSA-N 2 1 270.420 3.205 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886025609 637371970 /nfs/dbraw/zinc/37/19/70/637371970.db2.gz IGTLXSZXUPOHEW-UAGQMJEPSA-N 2 1 264.457 3.086 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C ZINC000886033595 637377163 /nfs/dbraw/zinc/37/71/63/637377163.db2.gz XDQPXUALHOUSSK-ORQFMDKSSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C ZINC000886033595 637377168 /nfs/dbraw/zinc/37/71/68/637377168.db2.gz XDQPXUALHOUSSK-ORQFMDKSSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C ZINC000886033595 637377176 /nfs/dbraw/zinc/37/71/76/637377176.db2.gz XDQPXUALHOUSSK-ORQFMDKSSA-N 2 1 264.457 3.227 20 0 CGADMP Cc1n[nH]c(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1C ZINC000886070504 637399956 /nfs/dbraw/zinc/39/99/56/637399956.db2.gz SQZWOKOKGXXBMW-UHFFFAOYSA-N 2 1 292.471 3.161 20 0 CGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348926 637508119 /nfs/dbraw/zinc/50/81/19/637508119.db2.gz VFATZWGZHNFMIZ-HDICACEKSA-N 2 1 270.420 3.124 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1cnn(C)c1 ZINC000886534323 637560531 /nfs/dbraw/zinc/56/05/31/637560531.db2.gz GBIRIUMJMCASRD-QGZVFWFLSA-N 2 1 294.487 3.216 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)c3cnc(C)cn3)CC2)[nH+]c1C ZINC000886660951 637639021 /nfs/dbraw/zinc/63/90/21/637639021.db2.gz IXDJXPYCXNTAFD-CQSZACIVSA-N 2 1 299.422 3.066 20 0 CGADMP C[N@@H+](C[C@H]1CCCCC1(C)C)C1CCC([NH3+])CC1 ZINC000852741575 637703289 /nfs/dbraw/zinc/70/32/89/637703289.db2.gz VZLDURJJSBFVGC-WLYUNCDWSA-N 2 1 252.446 3.405 20 0 CGADMP c1ccc(CCC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886867448 637715983 /nfs/dbraw/zinc/71/59/83/637715983.db2.gz FLSVAYWXPOOXPI-SFHVURJKSA-N 2 1 272.436 3.085 20 0 CGADMP CC[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000924660728 638386096 /nfs/dbraw/zinc/38/60/96/638386096.db2.gz ZRXKLCYKADNZGZ-YJBOKZPZSA-N 2 1 290.451 3.041 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000924752381 638400062 /nfs/dbraw/zinc/40/00/62/638400062.db2.gz NHLXWGDDKORSRV-UKRRQHHQSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC000925012379 638437386 /nfs/dbraw/zinc/43/73/86/638437386.db2.gz VBTBWCOWZMENAP-HPUBIQBYSA-N 2 1 290.476 3.241 20 0 CGADMP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925479728 638509045 /nfs/dbraw/zinc/50/90/45/638509045.db2.gz RXMPWYHXGCMIIU-QJPTWQEYSA-N 2 1 267.442 3.008 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000925630130 638548759 /nfs/dbraw/zinc/54/87/59/638548759.db2.gz RKGUCTGDUGWZMV-VDHUWJSZSA-N 2 1 290.451 3.258 20 0 CGADMP Cc1ccsc1CCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925629560 638549549 /nfs/dbraw/zinc/54/95/49/638549549.db2.gz KAADVIDSLJHRAD-BBRMVZONSA-N 2 1 274.433 3.277 20 0 CGADMP Cc1ccsc1CC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925629560 638549553 /nfs/dbraw/zinc/54/95/53/638549553.db2.gz KAADVIDSLJHRAD-BBRMVZONSA-N 2 1 274.433 3.277 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(C(F)(F)F)nc1 ZINC000925729571 638586527 /nfs/dbraw/zinc/58/65/27/638586527.db2.gz KSCAIQAWVBCGPN-CDMKHQONSA-N 2 1 299.340 3.021 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000925757198 638599553 /nfs/dbraw/zinc/59/95/53/638599553.db2.gz FFTAWHMPZBVRAD-ZDUSSCGKSA-N 2 1 292.471 3.211 20 0 CGADMP Cn1c[nH+]c2cc(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000926095406 638702531 /nfs/dbraw/zinc/70/25/31/638702531.db2.gz MEWWVIKVVUZOGF-WMLDXEAASA-N 2 1 284.407 3.002 20 0 CGADMP Cn1c[nH+]c2cc(N[C@H]3CCC[N@H+]4CCCC[C@H]34)ccc21 ZINC000926095406 638702542 /nfs/dbraw/zinc/70/25/42/638702542.db2.gz MEWWVIKVVUZOGF-WMLDXEAASA-N 2 1 284.407 3.002 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000858491584 638740586 /nfs/dbraw/zinc/74/05/86/638740586.db2.gz KWEKQXYQTUHDOR-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000858491584 638740587 /nfs/dbraw/zinc/74/05/87/638740587.db2.gz KWEKQXYQTUHDOR-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCc2c[nH+]cn2C)CC1 ZINC000926204369 638740756 /nfs/dbraw/zinc/74/07/56/638740756.db2.gz SFEDUEAOKRBCCJ-CABCVRRESA-N 2 1 261.413 3.077 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926573695 638786935 /nfs/dbraw/zinc/78/69/35/638786935.db2.gz OGOZWWVHBFJPKY-UKRRQHHQSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSC3(CCC3)C2)[C@H](C)C1 ZINC000927038918 638834617 /nfs/dbraw/zinc/83/46/17/638834617.db2.gz SCPZIDBYAAEYTI-ILXRZTDVSA-N 2 1 282.497 3.125 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(F)F)C[C@H]1C ZINC000929781875 638951419 /nfs/dbraw/zinc/95/14/19/638951419.db2.gz SDUJNYGSKUYFEE-OLZOCXBDSA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)(F)F)C[C@H]1C ZINC000929781875 638951420 /nfs/dbraw/zinc/95/14/20/638951420.db2.gz SDUJNYGSKUYFEE-OLZOCXBDSA-N 2 1 262.388 3.226 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)(F)F)C[C@H]1C ZINC000929781875 638951422 /nfs/dbraw/zinc/95/14/22/638951422.db2.gz SDUJNYGSKUYFEE-OLZOCXBDSA-N 2 1 262.388 3.226 20 0 CGADMP FCc1ccccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930805998 639068976 /nfs/dbraw/zinc/06/89/76/639068976.db2.gz LRUZNADPVQOVBM-UHFFFAOYSA-N 2 1 299.393 3.263 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1cccc(Cl)c1 ZINC000933733038 639484099 /nfs/dbraw/zinc/48/40/99/639484099.db2.gz ZKULBJOTJRAGEU-UKPHBRMFSA-N 2 1 292.854 3.327 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1cccc(Cl)c1 ZINC000933733038 639484103 /nfs/dbraw/zinc/48/41/03/639484103.db2.gz ZKULBJOTJRAGEU-UKPHBRMFSA-N 2 1 292.854 3.327 20 0 CGADMP C[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1cccc(Cl)c1 ZINC000933733038 639484109 /nfs/dbraw/zinc/48/41/09/639484109.db2.gz ZKULBJOTJRAGEU-UKPHBRMFSA-N 2 1 292.854 3.327 20 0 CGADMP C[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1cccc(Cl)c1 ZINC000933733038 639484114 /nfs/dbraw/zinc/48/41/14/639484114.db2.gz ZKULBJOTJRAGEU-UKPHBRMFSA-N 2 1 292.854 3.327 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934289067 639571840 /nfs/dbraw/zinc/57/18/40/639571840.db2.gz KIUVHAQNCYHLGO-MRXNPFEDSA-N 2 1 286.423 3.272 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934696384 639659384 /nfs/dbraw/zinc/65/93/84/639659384.db2.gz RMSOPQZUMXZWFP-QGZVFWFLSA-N 2 1 284.407 3.108 20 0 CGADMP COc1ccc(C[N@@H+](C)CCCCCCC[NH3+])cc1 ZINC000048895059 640074422 /nfs/dbraw/zinc/07/44/22/640074422.db2.gz MSVIZOUDDGOHGL-UHFFFAOYSA-N 2 1 264.413 3.036 20 0 CGADMP CCC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000190280395 640237384 /nfs/dbraw/zinc/23/73/84/640237384.db2.gz SQKGAEWHZAQPQY-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@@H](CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415136421 640859005 /nfs/dbraw/zinc/85/90/05/640859005.db2.gz HIYZKRDVTKSADU-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415136421 640859008 /nfs/dbraw/zinc/85/90/08/640859008.db2.gz HIYZKRDVTKSADU-RDJZCZTQSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000415142066 640860037 /nfs/dbraw/zinc/86/00/37/640860037.db2.gz QRCSPVFMABHWBJ-QYZOEREBSA-N 2 1 284.447 3.325 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252858389 640865081 /nfs/dbraw/zinc/86/50/81/640865081.db2.gz LVUOIJLGPUVDOU-SZMVWBNQSA-N 2 1 288.435 3.033 20 0 CGADMP COc1cc(NCC[C@H]2CCC[N@H+](C)C2)[nH+]c2ccccc21 ZINC001156389382 805682398 /nfs/dbraw/zinc/68/23/98/805682398.db2.gz OWXCJZZQSVRVPR-CQSZACIVSA-N 2 1 299.418 3.387 20 0 CGADMP COc1cc(NCC[C@H]2CCC[N@@H+](C)C2)[nH+]c2ccccc21 ZINC001156389382 805682402 /nfs/dbraw/zinc/68/24/02/805682402.db2.gz OWXCJZZQSVRVPR-CQSZACIVSA-N 2 1 299.418 3.387 20 0 CGADMP Cc1c[nH+]c(N(CC(C)(C)C)C2CC[NH2+]CC2)c(C)c1 ZINC001157884197 805895789 /nfs/dbraw/zinc/89/57/89/805895789.db2.gz PNWOLFVRBAPURB-UHFFFAOYSA-N 2 1 275.440 3.303 20 0 CGADMP CCc1ccc(C)[nH+]c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159107218 806042838 /nfs/dbraw/zinc/04/28/38/806042838.db2.gz LFQUIDXWJHFGKV-UHFFFAOYSA-N 2 1 267.376 3.342 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=CCC[NH2+]CC2)cc1 ZINC001159426816 806100027 /nfs/dbraw/zinc/10/00/27/806100027.db2.gz MJBHSSZUSCTHLY-UHFFFAOYSA-N 2 1 259.397 3.212 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=CCC[NH2+]C2)c(C)c1 ZINC001159656235 806142236 /nfs/dbraw/zinc/14/22/36/806142236.db2.gz DCELIHJHIPZMIJ-UHFFFAOYSA-N 2 1 259.397 3.130 20 0 CGADMP CC(C)c1ccc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]c1 ZINC001160744247 806299075 /nfs/dbraw/zinc/29/90/75/806299075.db2.gz ZDWJRWUVQUMIDJ-NEPJUHHUSA-N 2 1 287.329 3.157 20 0 CGADMP [NH3+]Cc1ccccc1CNc1cccc(C2CC2)[nH+]1 ZINC001160908320 806319027 /nfs/dbraw/zinc/31/90/27/806319027.db2.gz LKYHORZYBBKHTP-UHFFFAOYSA-N 2 1 253.349 3.030 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254445419 806401282 /nfs/dbraw/zinc/40/12/82/806401282.db2.gz MUZMLNHFQWXSSJ-UHFFFAOYSA-N 2 1 262.441 3.268 20 0 CGADMP Cc1c[nH+]c(N2CCC([NH3+])(CC3CCC3)CC2)c(C)c1 ZINC001161571764 806396133 /nfs/dbraw/zinc/39/61/33/806396133.db2.gz SPODEAGQOVJXRO-UHFFFAOYSA-N 2 1 273.424 3.186 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCc4ccccc4CC3)C[C@@H]2C1 ZINC001254462382 806412006 /nfs/dbraw/zinc/41/20/06/806412006.db2.gz AJFNDNWCSNQYQU-KDURUIRLSA-N 2 1 298.474 3.208 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCc4ccccc4CC3)C[C@@H]2C1 ZINC001254462382 806412009 /nfs/dbraw/zinc/41/20/09/806412009.db2.gz AJFNDNWCSNQYQU-KDURUIRLSA-N 2 1 298.474 3.208 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCc4ccccc4CC3)C[C@@H]2C1 ZINC001254462382 806412015 /nfs/dbraw/zinc/41/20/15/806412015.db2.gz AJFNDNWCSNQYQU-KDURUIRLSA-N 2 1 298.474 3.208 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCSCc2ccc(F)cc2)CC1 ZINC001254500733 806420977 /nfs/dbraw/zinc/42/09/77/806420977.db2.gz KFWPPVVOGMBDCC-INIZCTEOSA-N 2 1 296.455 3.133 20 0 CGADMP Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254499364 806421201 /nfs/dbraw/zinc/42/12/01/806421201.db2.gz FKBKLDINYQZBDB-SJORKVTESA-N 2 1 290.451 3.145 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CC1 ZINC001254501055 806423742 /nfs/dbraw/zinc/42/37/42/806423742.db2.gz PVRJGUAGPAPDID-AWDGRILASA-N 2 1 276.468 3.277 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254506438 806425654 /nfs/dbraw/zinc/42/56/54/806425654.db2.gz SAJKZAZZADUMDK-RDJZCZTQSA-N 2 1 258.409 3.056 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCOc2cccc3ccccc32)CC1 ZINC001254506725 806426698 /nfs/dbraw/zinc/42/66/98/806426698.db2.gz YOXNBTMPIJCEAX-QGZVFWFLSA-N 2 1 298.430 3.293 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)CC1 ZINC001254506755 806427983 /nfs/dbraw/zinc/42/79/83/806427983.db2.gz ZCZPKVQCPUELAQ-CQSZACIVSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)CC1 ZINC001254506755 806427989 /nfs/dbraw/zinc/42/79/89/806427989.db2.gz ZCZPKVQCPUELAQ-CQSZACIVSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001254506699 806428516 /nfs/dbraw/zinc/42/85/16/806428516.db2.gz XPMQAFRKXKHELV-JYJNAYRXSA-N 2 1 278.827 3.270 20 0 CGADMP Cc1ccccc1CC1(C[NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254510364 806430730 /nfs/dbraw/zinc/43/07/30/806430730.db2.gz NMZJOAHEEOXCFS-SFHVURJKSA-N 2 1 286.463 3.392 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+]C(C)(C)c2ccccc2F)CC1 ZINC001254510739 806430880 /nfs/dbraw/zinc/43/08/80/806430880.db2.gz XTCLCBIIZLNERK-CYBMUJFWSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2ccccc2F)CC1 ZINC001254510739 806430884 /nfs/dbraw/zinc/43/08/84/806430884.db2.gz XTCLCBIIZLNERK-CYBMUJFWSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2ccc(F)cc2)CC1 ZINC001254509509 806431305 /nfs/dbraw/zinc/43/13/05/806431305.db2.gz OQWJMXCSDXYLPJ-OAHLLOKOSA-N 2 1 264.388 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001254512365 806432358 /nfs/dbraw/zinc/43/23/58/806432358.db2.gz MDFPAAAMBLSVJP-FGTMMUONSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517322 806436654 /nfs/dbraw/zinc/43/66/54/806436654.db2.gz ULIRWUOZQAJVTD-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517322 806436655 /nfs/dbraw/zinc/43/66/55/806436655.db2.gz ULIRWUOZQAJVTD-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517322 806436660 /nfs/dbraw/zinc/43/66/60/806436660.db2.gz ULIRWUOZQAJVTD-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254524638 806438237 /nfs/dbraw/zinc/43/82/37/806438237.db2.gz YBVJWLDESGKRSQ-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254524638 806438241 /nfs/dbraw/zinc/43/82/41/806438241.db2.gz YBVJWLDESGKRSQ-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001254524638 806438245 /nfs/dbraw/zinc/43/82/45/806438245.db2.gz YBVJWLDESGKRSQ-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001254529672 806441704 /nfs/dbraw/zinc/44/17/04/806441704.db2.gz PABNIMWFNUFDAK-KRWDZBQOSA-N 2 1 288.435 3.056 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530050 806442995 /nfs/dbraw/zinc/44/29/95/806442995.db2.gz UFAIJLKINNXYOU-INIZCTEOSA-N 2 1 272.436 3.264 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530050 806443000 /nfs/dbraw/zinc/44/30/00/806443000.db2.gz UFAIJLKINNXYOU-INIZCTEOSA-N 2 1 272.436 3.264 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530050 806443002 /nfs/dbraw/zinc/44/30/02/806443002.db2.gz UFAIJLKINNXYOU-INIZCTEOSA-N 2 1 272.436 3.264 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001254910400 806505445 /nfs/dbraw/zinc/50/54/45/806505445.db2.gz IUPSDXBSZYPNAJ-YESZJQIVSA-N 2 1 292.854 3.270 20 0 CGADMP C[NH2+]Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001255119694 806549186 /nfs/dbraw/zinc/54/91/86/806549186.db2.gz ZIDIFRXAYSECLL-IBGZPJMESA-N 2 1 295.430 3.092 20 0 CGADMP Cc1c[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc12 ZINC001162392418 806574567 /nfs/dbraw/zinc/57/45/67/806574567.db2.gz QBKMEZVAZBCUEV-QWHCGFSZSA-N 2 1 255.365 3.225 20 0 CGADMP CCCCc1nc(NC[C@@H]2CCC[NH2+]C[C@H]2C)cc(C)[nH+]1 ZINC001162462205 806589831 /nfs/dbraw/zinc/58/98/31/806589831.db2.gz UHYWHOULLLAABR-HIFRSBDPSA-N 2 1 290.455 3.175 20 0 CGADMP CCCC[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001255317612 806608619 /nfs/dbraw/zinc/60/86/19/806608619.db2.gz PFQIVSVMKGWESY-AWEZNQCLSA-N 3 1 271.493 3.040 20 0 CGADMP CCCCc1nc(NC[C@@]2(F)CCCC[NH2+]C2)cc(C)[nH+]1 ZINC001162579843 806623181 /nfs/dbraw/zinc/62/31/81/806623181.db2.gz JTOFVEIGSJVLJX-MRXNPFEDSA-N 2 1 294.418 3.021 20 0 CGADMP CC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255383022 806629945 /nfs/dbraw/zinc/62/99/45/806629945.db2.gz YSKJRIFJXUBMCJ-KRWDZBQOSA-N 2 1 272.436 3.431 20 0 CGADMP [NH3+]CCc1cccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388727 806631222 /nfs/dbraw/zinc/63/12/22/806631222.db2.gz GZCIYFOMFQFQAF-LJQANCHMSA-N 2 1 297.446 3.217 20 0 CGADMP C[N@H+]1CCC[C@@H](n2cc(C3CC[NH2+]CC3)c3ccccc32)C1 ZINC001255487205 806650170 /nfs/dbraw/zinc/65/01/70/806650170.db2.gz SCACFUSIAXUYJZ-MRXNPFEDSA-N 2 1 297.446 3.375 20 0 CGADMP C[N@H+]1CCC[C@H](n2c(C[NH3+])cc3cc(Cl)ccc32)C1 ZINC001255467970 806646892 /nfs/dbraw/zinc/64/68/92/806646892.db2.gz MXEOPPVMUYENSY-ZDUSSCGKSA-N 2 1 277.799 3.020 20 0 CGADMP C[N@H+]1CCC[C@@H](n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)C1 ZINC001255489535 806651055 /nfs/dbraw/zinc/65/10/55/806651055.db2.gz OWXMOLHGDUNKID-GDBMZVCRSA-N 2 1 298.434 3.118 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](C3CCC(C(F)(F)F)CC3)C2)C1 ZINC001255520415 806661510 /nfs/dbraw/zinc/66/15/10/806661510.db2.gz FNQZSICRTAPYGI-RUXDESIVSA-N 2 1 290.373 3.135 20 0 CGADMP COC(=[NH2+])c1cccc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1 ZINC001162776929 806663433 /nfs/dbraw/zinc/66/34/33/806663433.db2.gz GMEXVIMSCPTHHS-LLVKDONJSA-N 2 1 294.358 3.017 20 0 CGADMP Cc1ccc(C)c(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255662395 806698451 /nfs/dbraw/zinc/69/84/51/806698451.db2.gz KLLQPCLMGIXQMH-YQQQUEKLSA-N 2 1 286.463 3.451 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001255666035 806699968 /nfs/dbraw/zinc/69/99/68/806699968.db2.gz PVWFVJSIJFZWCP-HMQMGEFJSA-N 2 1 287.451 3.446 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1F)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681896 806703275 /nfs/dbraw/zinc/70/32/75/806703275.db2.gz AWAAHRFUPRMHIQ-XYPWUTKMSA-N 2 1 294.389 3.412 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681896 806703283 /nfs/dbraw/zinc/70/32/83/806703283.db2.gz AWAAHRFUPRMHIQ-XYPWUTKMSA-N 2 1 294.389 3.412 20 0 CGADMP C[NH+](Cc1ccc(F)cc1F)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681896 806703290 /nfs/dbraw/zinc/70/32/90/806703290.db2.gz AWAAHRFUPRMHIQ-XYPWUTKMSA-N 2 1 294.389 3.412 20 0 CGADMP C[NH+](Cc1ccc(F)cc1F)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681896 806703294 /nfs/dbraw/zinc/70/32/94/806703294.db2.gz AWAAHRFUPRMHIQ-XYPWUTKMSA-N 2 1 294.389 3.412 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255688551 806706508 /nfs/dbraw/zinc/70/65/08/806706508.db2.gz BFCUJAZVGMSCBG-YHQUGGNUSA-N 2 1 290.373 3.322 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001255726779 806721740 /nfs/dbraw/zinc/72/17/40/806721740.db2.gz QPXYTZMCZTVLIU-OCCSQVGLSA-N 2 1 290.373 3.278 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001255726780 806722100 /nfs/dbraw/zinc/72/21/00/806722100.db2.gz QPXYTZMCZTVLIU-TZMCWYRMSA-N 2 1 290.373 3.278 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+](C)C[C@H](C)C[NH3+])cc1 ZINC001255755474 806737834 /nfs/dbraw/zinc/73/78/34/806737834.db2.gz LJDDZZHXIYHXES-KGLIPLIRSA-N 2 1 266.454 3.002 20 0 CGADMP C[C@H]([NH2+]C/C=C/Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381799687 799386725 /nfs/dbraw/zinc/38/67/25/799386725.db2.gz RSDGXOVFPVMQFX-QVDQZQSHSA-N 2 1 278.827 3.239 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000381860219 799389033 /nfs/dbraw/zinc/38/90/33/799389033.db2.gz MDHKBQOZBFIMSG-VLSVSDDBSA-N 2 1 264.457 3.260 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000383819231 799408842 /nfs/dbraw/zinc/40/88/42/799408842.db2.gz HHCIYAPVTFPBDW-MRXNPFEDSA-N 2 1 276.424 3.035 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2[nH+]ccc3[nH]ccc32)[C@@H](C)C1 ZINC001163362938 806747513 /nfs/dbraw/zinc/74/75/13/806747513.db2.gz OTLCKTVFCHPODL-JSGCOSHPSA-N 2 1 272.396 3.094 20 0 CGADMP CC(C)Oc1cc[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001163366178 806750632 /nfs/dbraw/zinc/75/06/32/806750632.db2.gz SGAAMSBZMBGDNB-GDBMZVCRSA-N 2 1 291.439 3.400 20 0 CGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(F)(F)F ZINC000402750922 799564097 /nfs/dbraw/zinc/56/40/97/799564097.db2.gz VQXXFOFHOPOLIF-WODVXLOZSA-N 2 1 278.362 3.180 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000490065054 799654345 /nfs/dbraw/zinc/65/43/45/799654345.db2.gz DMJDVKNCQCNAJM-IBGZPJMESA-N 2 1 286.463 3.428 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3F)C[C@@H]2C1 ZINC001255857780 806771635 /nfs/dbraw/zinc/77/16/35/806771635.db2.gz RWEBPACDPDPTHG-OIISXLGYSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3F)C[C@@H]2C1 ZINC001255857780 806771641 /nfs/dbraw/zinc/77/16/41/806771641.db2.gz RWEBPACDPDPTHG-OIISXLGYSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccccc3F)C[C@@H]2C1 ZINC001255857780 806771646 /nfs/dbraw/zinc/77/16/46/806771646.db2.gz RWEBPACDPDPTHG-OIISXLGYSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccccc3F)C[C@@H]2C1 ZINC001255857780 806771652 /nfs/dbraw/zinc/77/16/52/806771652.db2.gz RWEBPACDPDPTHG-OIISXLGYSA-N 2 1 290.426 3.030 20 0 CGADMP CC1(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000687304367 799738746 /nfs/dbraw/zinc/73/87/46/799738746.db2.gz WSSWIWBJOYODMY-SFHVURJKSA-N 2 1 272.436 3.288 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001255860142 806773358 /nfs/dbraw/zinc/77/33/58/806773358.db2.gz AWAJRYZBXBYJDF-COXVUDFISA-N 2 1 278.415 3.219 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000690738874 799778044 /nfs/dbraw/zinc/77/80/44/799778044.db2.gz IKTUHAPXHYWVEL-SNVBAGLBSA-N 2 1 273.207 3.164 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCCCCC[NH3+])s1 ZINC000693924762 799817192 /nfs/dbraw/zinc/81/71/92/799817192.db2.gz MMKWROCFKANUSB-UHFFFAOYSA-N 2 1 254.443 3.398 20 0 CGADMP CC(C)[N@H+](Cc1cccs1)C[C@H]1CCCC[NH2+]C1 ZINC000696999670 799842546 /nfs/dbraw/zinc/84/25/46/799842546.db2.gz QKZPQCWFAGTHIC-AWEZNQCLSA-N 2 1 266.454 3.348 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699202363 799857684 /nfs/dbraw/zinc/85/76/84/799857684.db2.gz CMCGWROFJTUCRE-ZBSSRIJBSA-N 2 1 258.409 3.210 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C(C)(C)c1cccnc1 ZINC001255941606 806789758 /nfs/dbraw/zinc/78/97/58/806789758.db2.gz UXZHHMPBLVWOOZ-AWEZNQCLSA-N 2 1 263.429 3.027 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)O ZINC001255951877 806795852 /nfs/dbraw/zinc/79/58/52/806795852.db2.gz BLKBZDFAFZMHKN-RDJZCZTQSA-N 2 1 292.467 3.209 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ccnc(F)c1)C1CC1 ZINC001255953733 806796651 /nfs/dbraw/zinc/79/66/51/806796651.db2.gz NJWYDSBXRONNTM-DYVFJYSZSA-N 2 1 293.430 3.382 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C)CC2)C1 ZINC000710324818 800034006 /nfs/dbraw/zinc/03/40/06/800034006.db2.gz IZADTFJFVNAJSS-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001255960268 806799689 /nfs/dbraw/zinc/79/96/89/806799689.db2.gz GHYQXQUZCRAWRD-DOTOQJQBSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001255960268 806799695 /nfs/dbraw/zinc/79/96/95/806799695.db2.gz GHYQXQUZCRAWRD-DOTOQJQBSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001255964835 806803410 /nfs/dbraw/zinc/80/34/10/806803410.db2.gz VPZDVKFBIKXIAB-OLZOCXBDSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](C(F)F)C1 ZINC001255964835 806803418 /nfs/dbraw/zinc/80/34/18/806803418.db2.gz VPZDVKFBIKXIAB-OLZOCXBDSA-N 2 1 262.388 3.084 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000714754363 800128570 /nfs/dbraw/zinc/12/85/70/800128570.db2.gz SGVLUJQCFQKHIF-UHFFFAOYSA-N 2 1 266.816 3.352 20 0 CGADMP CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715570700 800139580 /nfs/dbraw/zinc/13/95/80/800139580.db2.gz FCVAAAXHWLQCNG-HOTGVXAUSA-N 2 1 276.424 3.048 20 0 CGADMP CC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716718478 800179299 /nfs/dbraw/zinc/17/92/99/800179299.db2.gz OPBWCCLZCUDPOG-KSZLIROESA-N 2 1 284.447 3.429 20 0 CGADMP CC(C)(CC1CCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071785 806810409 /nfs/dbraw/zinc/81/04/09/806810409.db2.gz PAUXPPQGGJDMHK-UHFFFAOYSA-N 2 1 250.430 3.172 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000718636844 800218417 /nfs/dbraw/zinc/21/84/17/800218417.db2.gz YMPBTHCLIIURSF-AWEZNQCLSA-N 2 1 274.399 3.133 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000718751432 800221471 /nfs/dbraw/zinc/22/14/71/800221471.db2.gz JSOBURVLEWQEEA-YESZJQIVSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1cccc([C@H](C)[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000720870512 800269270 /nfs/dbraw/zinc/26/92/70/800269270.db2.gz IYVWMIBWQDSMSL-UBHSHLNASA-N 2 1 286.341 3.125 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CCC4)CC2)cc1 ZINC000721205591 800280996 /nfs/dbraw/zinc/28/09/96/800280996.db2.gz MZJQBJPZKOMXDQ-QGZVFWFLSA-N 2 1 270.420 3.183 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000722138096 800309950 /nfs/dbraw/zinc/30/99/50/800309950.db2.gz UWSPESWGRTUSQW-UHFFFAOYSA-N 2 1 299.245 3.387 20 0 CGADMP CCC(CC)([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC001256195126 806847130 /nfs/dbraw/zinc/84/71/30/806847130.db2.gz BBRQCTJNJXEQBC-UHFFFAOYSA-N 2 1 260.425 3.386 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC001256200518 806847159 /nfs/dbraw/zinc/84/71/59/806847159.db2.gz UUHBRDBQIPYSMI-QGZVFWFLSA-N 2 1 260.425 3.438 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000925705846 800632214 /nfs/dbraw/zinc/63/22/14/800632214.db2.gz IQKMWZYBHCZMSX-QGZVFWFLSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)CC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001256370513 806873177 /nfs/dbraw/zinc/87/31/77/806873177.db2.gz APYQDSIEDGNYKY-AWEZNQCLSA-N 2 1 252.446 3.370 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]C(C)(C)c2ccncc2)CC1 ZINC001256563562 806916363 /nfs/dbraw/zinc/91/63/63/806916363.db2.gz BOJPLZBOLJDXNI-UHFFFAOYSA-N 2 1 275.440 3.169 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CCC[C@@](C)(C[NH3+])CC3)c12 ZINC001164246662 806922894 /nfs/dbraw/zinc/92/28/94/806922894.db2.gz CCALOEPVXPBVJB-GOSISDBHSA-N 2 1 283.419 3.499 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001116293629 802327068 /nfs/dbraw/zinc/32/70/68/802327068.db2.gz VTLBJPHHXLRZBJ-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC001117318852 802463190 /nfs/dbraw/zinc/46/31/90/802463190.db2.gz BTSPXFJWESRYAD-BZPMIXESSA-N 2 1 293.842 3.185 20 0 CGADMP C[C@H]([NH2+]C/C=C/C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001117713833 802479982 /nfs/dbraw/zinc/47/99/82/802479982.db2.gz YJPSSMDEKVSGPB-MZKHAQQWSA-N 2 1 284.447 3.453 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC001117953989 802513727 /nfs/dbraw/zinc/51/37/27/802513727.db2.gz WDYPADHZFNBYRY-HNNXBMFYSA-N 2 1 298.430 3.450 20 0 CGADMP F[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC001120364657 802742816 /nfs/dbraw/zinc/74/28/16/802742816.db2.gz MEYWPVGEPCSYTI-WYIYSYCWSA-N 2 1 266.404 3.015 20 0 CGADMP [NH3+]Cc1nc2ccccc2n1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894889 806999878 /nfs/dbraw/zinc/99/98/78/806999878.db2.gz NQUFXKONCINDHE-OAHLLOKOSA-N 2 1 298.434 3.075 20 0 CGADMP c1cncc(CCC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256902835 807004783 /nfs/dbraw/zinc/00/47/83/807004783.db2.gz WVUYWQNABFDKDB-KRWDZBQOSA-N 2 1 287.451 3.011 20 0 CGADMP c1cncc(CCC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256902835 807004791 /nfs/dbraw/zinc/00/47/91/807004791.db2.gz WVUYWQNABFDKDB-KRWDZBQOSA-N 2 1 287.451 3.011 20 0 CGADMP [NH3+]Cc1cccc2ncn([C@@H]3CCC[N@H+](C4CCCC4)C3)c21 ZINC001256908311 807007176 /nfs/dbraw/zinc/00/71/76/807007176.db2.gz MFNBKBNUIMRQHW-MRXNPFEDSA-N 2 1 298.434 3.075 20 0 CGADMP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136154 812883391 /nfs/dbraw/zinc/88/33/91/812883391.db2.gz RVHJECPRXLWFNQ-GXTWGEPZSA-N 2 1 296.842 3.154 20 0 CGADMP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136154 812883400 /nfs/dbraw/zinc/88/34/00/812883400.db2.gz RVHJECPRXLWFNQ-GXTWGEPZSA-N 2 1 296.842 3.154 20 0 CGADMP C[NH2+]Cc1cccc(-c2ccc3c(c2)CC[N@H+](C)C3)c1F ZINC001244861024 803552683 /nfs/dbraw/zinc/55/26/83/803552683.db2.gz JGBDDFJOXXSALL-UHFFFAOYSA-N 2 1 284.378 3.200 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)cn2)CC1 ZINC001136929150 803660789 /nfs/dbraw/zinc/66/07/89/803660789.db2.gz BWRVNXZGHSEJFQ-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1nc2ccccc2s1 ZINC001136957303 803662085 /nfs/dbraw/zinc/66/20/85/803662085.db2.gz ABBFJQQJPOUXQD-UHFFFAOYSA-N 2 1 286.404 3.015 20 0 CGADMP COc1c(C)cccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001245362210 803714000 /nfs/dbraw/zinc/71/40/00/803714000.db2.gz OMBZMGDUOACCAK-UHFFFAOYSA-N 2 1 293.370 3.005 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001137852698 803785114 /nfs/dbraw/zinc/78/51/14/803785114.db2.gz OLUHUTUYDURCFH-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001137852698 803785121 /nfs/dbraw/zinc/78/51/21/803785121.db2.gz OLUHUTUYDURCFH-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543919 803964178 /nfs/dbraw/zinc/96/41/78/803964178.db2.gz ZTKNSKAPYYAGJU-UHFFFAOYSA-N 2 1 257.381 3.413 20 0 CGADMP CCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543919 803964184 /nfs/dbraw/zinc/96/41/84/803964184.db2.gz ZTKNSKAPYYAGJU-UHFFFAOYSA-N 2 1 257.381 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C(C)(C)C)cc1 ZINC001138547744 803965489 /nfs/dbraw/zinc/96/54/89/803965489.db2.gz SUAPXQZOWAQHHW-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C(C)(C)C)cc1 ZINC001138547744 803965492 /nfs/dbraw/zinc/96/54/92/803965492.db2.gz SUAPXQZOWAQHHW-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+](C)C1CCN(C)CC1 ZINC001138718339 804016590 /nfs/dbraw/zinc/01/65/90/804016590.db2.gz OPLCDXKDPVHRAG-UHFFFAOYSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090925 804122678 /nfs/dbraw/zinc/12/26/78/804122678.db2.gz MZEXFRDBKVSIKJ-SMDDNHRTSA-N 2 1 284.806 3.142 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246112411 804143485 /nfs/dbraw/zinc/14/34/85/804143485.db2.gz SNUBBRWCHSMABS-CHWSQXEVSA-N 2 1 299.245 3.192 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246118374 804151864 /nfs/dbraw/zinc/15/18/64/804151864.db2.gz PZGMFAIAMORMBZ-LALPHHSUSA-N 2 1 298.883 3.408 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@@H](N[C@H]1CCC[NH2+]C1)C2 ZINC001246130142 804156018 /nfs/dbraw/zinc/15/60/18/804156018.db2.gz SNUBBRWCHSMABS-OLZOCXBDSA-N 2 1 299.245 3.192 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246130142 804156022 /nfs/dbraw/zinc/15/60/22/804156022.db2.gz SNUBBRWCHSMABS-OLZOCXBDSA-N 2 1 299.245 3.192 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4cc(O)ccc4c3)C2)C1 ZINC001139341309 804177490 /nfs/dbraw/zinc/17/74/90/804177490.db2.gz GTPZLNBGAGZRQW-IBGZPJMESA-N 2 1 296.414 3.073 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4cc(O)ccc4c3)C2)C1 ZINC001139341309 804177496 /nfs/dbraw/zinc/17/74/96/804177496.db2.gz GTPZLNBGAGZRQW-IBGZPJMESA-N 2 1 296.414 3.073 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4cc(O)ccc4c3)C2)C1 ZINC001139341309 804177502 /nfs/dbraw/zinc/17/75/02/804177502.db2.gz GTPZLNBGAGZRQW-IBGZPJMESA-N 2 1 296.414 3.073 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC[NH2+]1 ZINC001246185226 804197143 /nfs/dbraw/zinc/19/71/43/804197143.db2.gz BZEIANVLJATEOP-HOTGVXAUSA-N 3 1 295.515 3.278 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@]2(C)CCC[NH2+]C2)cc1 ZINC001246191661 804200252 /nfs/dbraw/zinc/20/02/52/804200252.db2.gz WWEAKESLSSFXKV-NVXWUHKLSA-N 2 1 260.425 3.048 20 0 CGADMP CCCC[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC001246196282 804203928 /nfs/dbraw/zinc/20/39/28/804203928.db2.gz SFNCZTQSFMSMNS-KZNAEPCWSA-N 2 1 295.515 3.151 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246210611 804207798 /nfs/dbraw/zinc/20/77/98/804207798.db2.gz GAGKWDIVFQMEQC-QGZVFWFLSA-N 3 1 297.531 3.399 20 0 CGADMP CCCCC[C@@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246219055 804214111 /nfs/dbraw/zinc/21/41/11/804214111.db2.gz FHXUWZAZJVHOBQ-CHWSQXEVSA-N 2 1 262.388 3.180 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246221907 804215865 /nfs/dbraw/zinc/21/58/65/804215865.db2.gz PKCGKKBJTLFZEY-KBPBESRZSA-N 2 1 274.399 3.346 20 0 CGADMP C[C@@]1(C[NH2+]C2CCCCCCC2)CC[NH2+]CC1(F)F ZINC001246222238 804216424 /nfs/dbraw/zinc/21/64/24/804216424.db2.gz QIELHGOZWSFQPQ-AWEZNQCLSA-N 2 1 274.399 3.324 20 0 CGADMP CCOc1ccc(C)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001139603580 804221891 /nfs/dbraw/zinc/22/18/91/804221891.db2.gz HOLQDIVEEOXUQH-UHFFFAOYSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)C[NH2+]1 ZINC001246236319 804227888 /nfs/dbraw/zinc/22/78/88/804227888.db2.gz VXKSNNKKQRMOGC-KDOFPFPSSA-N 2 1 268.404 3.112 20 0 CGADMP CC[C@H]([NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1)c1ccccc1F ZINC001246263691 804243615 /nfs/dbraw/zinc/24/36/15/804243615.db2.gz KTRFLKKGEAJCKM-HSMVNMDESA-N 2 1 264.388 3.395 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](CC)C1)c1ccccc1F ZINC001246266834 804245212 /nfs/dbraw/zinc/24/52/12/804245212.db2.gz SAWZIMFDYFSCQB-ZENOOKHLSA-N 2 1 264.388 3.397 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[Si](C)(C)C)CC[NH2+]1 ZINC001246267812 804247950 /nfs/dbraw/zinc/24/79/50/804247950.db2.gz MXOODYNQQFNRQV-ZBFHGGJFSA-N 2 1 294.490 3.394 20 0 CGADMP CCNCC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246273724 804250142 /nfs/dbraw/zinc/25/01/42/804250142.db2.gz SDUOGPMPSZGCCD-LBPRGKRZSA-N 2 1 287.234 3.050 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246273724 804250147 /nfs/dbraw/zinc/25/01/47/804250147.db2.gz SDUOGPMPSZGCCD-LBPRGKRZSA-N 2 1 287.234 3.050 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1F ZINC001246273475 804250381 /nfs/dbraw/zinc/25/03/81/804250381.db2.gz JGSLIZNRPNOZSA-IOASZLSFSA-N 2 1 264.388 3.253 20 0 CGADMP Fc1ccccc1[C@@H]([NH2+]C1CC[NH2+]CC1)C1CCC1 ZINC001246279928 804254347 /nfs/dbraw/zinc/25/43/47/804254347.db2.gz NBRUCQQTZDZBGM-INIZCTEOSA-N 2 1 262.372 3.009 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C[NH2+]1 ZINC001246279268 804254404 /nfs/dbraw/zinc/25/44/04/804254404.db2.gz LLJYZZXANAHZRM-WTIISPKJSA-N 2 1 278.362 3.085 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2F)C2CCC2)CC[NH2+]1 ZINC001246282072 804256724 /nfs/dbraw/zinc/25/67/24/804256724.db2.gz UAZPAGIAPHXYRY-JDFRZJQESA-N 2 1 276.399 3.397 20 0 CGADMP CC[NH+](CC)C1CC[NH+](Cc2c(C)cc(O)cc2C)CC1 ZINC001139713711 804263311 /nfs/dbraw/zinc/26/33/11/804263311.db2.gz HZCIYNACBGSQQU-UHFFFAOYSA-N 2 1 290.451 3.315 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC001246301439 804268494 /nfs/dbraw/zinc/26/84/94/804268494.db2.gz WOFCWJFCGLUYHC-VQTJNVASSA-N 2 1 294.442 3.012 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]C(C)(C)c1ccccc1Cl ZINC001246309979 804271801 /nfs/dbraw/zinc/27/18/01/804271801.db2.gz KOEYSSPVNRNJDR-LLVKDONJSA-N 2 1 254.805 3.163 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1F ZINC001246313390 804275841 /nfs/dbraw/zinc/27/58/41/804275841.db2.gz FZMCIUIDQFVIGD-IXPVHAAZSA-N 2 1 268.351 3.146 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2cc(F)cc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246317069 804276985 /nfs/dbraw/zinc/27/69/85/804276985.db2.gz KIIYXBWDRJLPFQ-GJZGRUSLSA-N 2 1 294.414 3.233 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(OC)c2)CC[NH2+]1 ZINC001246316655 804277037 /nfs/dbraw/zinc/27/70/37/804277037.db2.gz IVGBKTNXSSPAQI-HUUCEWRRSA-N 2 1 294.414 3.235 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2ccc(F)c(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246319942 804278681 /nfs/dbraw/zinc/27/86/81/804278681.db2.gz XKYGGNGLUUGYHE-ZIAGYGMSSA-N 2 1 294.414 3.233 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246323535 804280171 /nfs/dbraw/zinc/28/01/71/804280171.db2.gz BAKOZQQRPPBWLM-YMAMQOFZSA-N 2 1 252.446 3.323 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccccc1C(F)F ZINC001139795662 804280703 /nfs/dbraw/zinc/28/07/03/804280703.db2.gz HAWJCTNOXPXKEU-UHFFFAOYSA-N 2 1 256.340 3.008 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1C(F)F ZINC001139795662 804280707 /nfs/dbraw/zinc/28/07/07/804280707.db2.gz HAWJCTNOXPXKEU-UHFFFAOYSA-N 2 1 256.340 3.008 20 0 CGADMP [NH3+]CC1([NH2+][C@@H]2CCCC3(CCCCC3)C2)CCC1 ZINC001246356679 804302364 /nfs/dbraw/zinc/30/23/64/804302364.db2.gz OVKHXTTYIILTDU-CQSZACIVSA-N 2 1 250.430 3.351 20 0 CGADMP CCCC[C@H]1C[C@@H](N[C@H]2CC[N@H+](C(CC)CC)C2)CC[NH2+]1 ZINC001246360208 804302974 /nfs/dbraw/zinc/30/29/74/804302974.db2.gz GFNFKOQJVUOYEL-ULQDDVLXSA-N 2 1 295.515 3.150 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CC[NH2+]CC2)C1 ZINC001246432800 804330921 /nfs/dbraw/zinc/33/09/21/804330921.db2.gz YBFPMMVNOPAVOC-KGLIPLIRSA-N 2 1 276.399 3.183 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)C[NH2+]1 ZINC001246438768 804333857 /nfs/dbraw/zinc/33/38/57/804333857.db2.gz ZWFXQWOELMBGHY-BBRMVZONSA-N 2 1 278.415 3.125 20 0 CGADMP Fc1ccccc1C1([NH2+]C2CCCCC2)CC[NH2+]CC1 ZINC001246438285 804334934 /nfs/dbraw/zinc/33/49/34/804334934.db2.gz RYZGTGDUKWUBNP-UHFFFAOYSA-N 2 1 276.399 3.327 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)C[NH2+]1 ZINC001246461968 804341833 /nfs/dbraw/zinc/34/18/33/804341833.db2.gz AYTUXMYXYXMUPQ-RHSMWYFYSA-N 2 1 290.426 3.269 20 0 CGADMP CCCCC[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246483449 804355587 /nfs/dbraw/zinc/35/55/87/804355587.db2.gz TWBZQJHYOKXGPD-STQMWFEESA-N 2 1 262.388 3.180 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+](C)Cc1ccccn1 ZINC001140023711 804356219 /nfs/dbraw/zinc/35/62/19/804356219.db2.gz WOPCSHBYZDENNP-UHFFFAOYSA-N 2 1 292.386 3.208 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)Cc1ccccn1 ZINC001140023711 804356229 /nfs/dbraw/zinc/35/62/29/804356229.db2.gz WOPCSHBYZDENNP-UHFFFAOYSA-N 2 1 292.386 3.208 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(Cl)c1 ZINC001246489445 804357148 /nfs/dbraw/zinc/35/71/48/804357148.db2.gz NPHHJLIIHLHOSK-GPCCPHFNSA-N 2 1 270.779 3.270 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246487840 804357432 /nfs/dbraw/zinc/35/74/32/804357432.db2.gz MUTOQYDWIZIAOG-KBPBESRZSA-N 2 1 276.415 3.426 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cc(F)cc(Cl)c1 ZINC001246489453 804357858 /nfs/dbraw/zinc/35/78/58/804357858.db2.gz NPHHJLIIHLHOSK-IMSIIYSGSA-N 2 1 270.779 3.270 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC[NH2+]1 ZINC001246493879 804358912 /nfs/dbraw/zinc/35/89/12/804358912.db2.gz AYWJLHHBAIUYHS-KZNAEPCWSA-N 2 1 295.515 3.138 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC(OCC)CC1 ZINC001246494156 804361238 /nfs/dbraw/zinc/36/12/38/804361238.db2.gz FMGIGOFZRGHBQC-UHFFFAOYSA-N 2 1 270.461 3.221 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])CC(C)C ZINC001246502021 804364330 /nfs/dbraw/zinc/36/43/30/804364330.db2.gz CRACGCJAGJOGBE-SJORKVTESA-N 2 1 262.441 3.361 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)C2CC2)C[NH2+]1 ZINC001246516272 804368974 /nfs/dbraw/zinc/36/89/74/804368974.db2.gz REPHIWMPOSUEQN-RLCCDNCMSA-N 2 1 278.827 3.174 20 0 CGADMP CCCC[C@@H](CC)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246523666 804378716 /nfs/dbraw/zinc/37/87/16/804378716.db2.gz OMGCZYKXLQGMAX-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246523404 804379133 /nfs/dbraw/zinc/37/91/33/804379133.db2.gz FWHZXZUWJKJBEA-CVEARBPZSA-N 2 1 278.415 3.424 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246525353 804379363 /nfs/dbraw/zinc/37/93/63/804379363.db2.gz WNLBHDIJGFYWHJ-HNNXBMFYSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246526673 804380600 /nfs/dbraw/zinc/38/06/00/804380600.db2.gz QRQXGTWRDSBLFH-KRWDZBQOSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529977 804381035 /nfs/dbraw/zinc/38/10/35/804381035.db2.gz MMYREVAOTDPCES-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529977 804381044 /nfs/dbraw/zinc/38/10/44/804381044.db2.gz MMYREVAOTDPCES-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538464 804387742 /nfs/dbraw/zinc/38/77/42/804387742.db2.gz CEKALLUNCBAGMU-NEPJUHHUSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538464 804387752 /nfs/dbraw/zinc/38/77/52/804387752.db2.gz CEKALLUNCBAGMU-NEPJUHHUSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C[C@H]1C[NH3+] ZINC001246547043 804396871 /nfs/dbraw/zinc/39/68/71/804396871.db2.gz AJUQTNMYSJDNQV-YUELXQCFSA-N 2 1 292.854 3.114 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001246548235 804397783 /nfs/dbraw/zinc/39/77/83/804397783.db2.gz JPYCKPXIKOPXQQ-WBVHZDCISA-N 2 1 278.415 3.079 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001246548234 804398304 /nfs/dbraw/zinc/39/83/04/804398304.db2.gz JPYCKPXIKOPXQQ-RDJZCZTQSA-N 2 1 278.415 3.079 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246548043 804398665 /nfs/dbraw/zinc/39/86/65/804398665.db2.gz FGFSLIJIHZTBIF-CVEARBPZSA-N 2 1 278.827 3.011 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246551240 804400574 /nfs/dbraw/zinc/40/05/74/804400574.db2.gz XOYOCGMDLRKZRW-QMCVQRASSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552395 804401919 /nfs/dbraw/zinc/40/19/19/804401919.db2.gz OGHCSVNBQHVOAE-BBRMVZONSA-N 2 1 280.843 3.474 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001246553097 804402662 /nfs/dbraw/zinc/40/26/62/804402662.db2.gz QYLOAAWDENPSJD-AVGNSLFASA-N 2 1 278.362 3.311 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001246552592 804402967 /nfs/dbraw/zinc/40/29/67/804402967.db2.gz QRZMCKSTYVFZII-VGWMRTNUSA-N 2 1 254.462 3.364 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246554068 804404082 /nfs/dbraw/zinc/40/40/82/804404082.db2.gz UWONEEFRMUESTA-MAUKXSAKSA-N 2 1 274.452 3.383 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246557301 804406093 /nfs/dbraw/zinc/40/60/93/804406093.db2.gz KMCMWYUEUGITKO-KZNAEPCWSA-N 2 1 290.426 3.476 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCc3ccccc3CC2)CC[C@H]1C[NH3+] ZINC001246556562 804406933 /nfs/dbraw/zinc/40/69/33/804406933.db2.gz HVRCTAMOEQQETN-QAPCUYQASA-N 2 1 286.463 3.241 20 0 CGADMP C[C@H]1C[N@H+](C2CCCCCCC2)CCC[C@@H]1C[NH3+] ZINC001246559472 804407706 /nfs/dbraw/zinc/40/77/06/804407706.db2.gz AFUIYBPAJROTGA-LSDHHAIUSA-N 2 1 252.446 3.406 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246559614 804408762 /nfs/dbraw/zinc/40/87/62/804408762.db2.gz SJOPIYQEUWKIIN-BFHYXJOUSA-N 2 1 276.415 3.363 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246561878 804410420 /nfs/dbraw/zinc/41/04/20/804410420.db2.gz HARSHQWJZQIOTG-RBSFLKMASA-N 2 1 258.425 3.497 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246563247 804412186 /nfs/dbraw/zinc/41/21/86/804412186.db2.gz CKINNHWLFUJBJD-CGTJXYLNSA-N 2 1 274.452 3.315 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC1 ZINC001246563032 804412306 /nfs/dbraw/zinc/41/23/06/804412306.db2.gz ISDKGSUUNORDPI-YHNBSYBMSA-N 2 1 252.446 3.260 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001246563468 804412569 /nfs/dbraw/zinc/41/25/69/804412569.db2.gz XBCKEUNUDIYFLK-XYJFISCASA-N 2 1 274.452 3.233 20 0 CGADMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246564957 804414343 /nfs/dbraw/zinc/41/43/43/804414343.db2.gz XUTLKZMDPBWBSW-SJLPKXTDSA-N 2 1 294.483 3.055 20 0 CGADMP C[C@]1(F)CCC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246570484 804416781 /nfs/dbraw/zinc/41/67/81/804416781.db2.gz AENSQJOMVZPNCX-KURKYZTESA-N 2 1 290.426 3.174 20 0 CGADMP C[C@]1(F)CCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246570484 804416786 /nfs/dbraw/zinc/41/67/86/804416786.db2.gz AENSQJOMVZPNCX-KURKYZTESA-N 2 1 290.426 3.174 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246569122 804417042 /nfs/dbraw/zinc/41/70/42/804417042.db2.gz QGXKCIFKEBNHQJ-FMKPAKJESA-N 2 1 278.415 3.064 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246573005 804420385 /nfs/dbraw/zinc/42/03/85/804420385.db2.gz VNYKOHTXMOWMSF-ZJPYXAASSA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246573005 804420388 /nfs/dbraw/zinc/42/03/88/804420388.db2.gz VNYKOHTXMOWMSF-ZJPYXAASSA-N 2 1 290.426 3.474 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246574894 804422227 /nfs/dbraw/zinc/42/22/27/804422227.db2.gz JNYQDCRHGATOBE-PBHICJAKSA-N 2 1 278.415 3.208 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576418 804423021 /nfs/dbraw/zinc/42/30/21/804423021.db2.gz KDYTYEFIKKGUTL-KZNAEPCWSA-N 2 1 290.426 3.476 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576418 804423023 /nfs/dbraw/zinc/42/30/23/804423023.db2.gz KDYTYEFIKKGUTL-KZNAEPCWSA-N 2 1 290.426 3.476 20 0 CGADMP CC1(C)CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246579559 804424297 /nfs/dbraw/zinc/42/42/97/804424297.db2.gz FSDICGABIBWPJP-INIZCTEOSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@H]1CC([N@H+]2CCCC[C@](C)(C[NH3+])C2)C[C@H](C)C1 ZINC001246578794 804424537 /nfs/dbraw/zinc/42/45/37/804424537.db2.gz CEVDKRSIEQPDSC-IIAWOOMASA-N 2 1 252.446 3.262 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001246590057 804431080 /nfs/dbraw/zinc/43/10/80/804431080.db2.gz IBHZXSZNIMBMST-XYJFISCASA-N 2 1 274.452 3.375 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246588812 804431971 /nfs/dbraw/zinc/43/19/71/804431971.db2.gz CPTWEGAJOMNJPB-MAUKXSAKSA-N 2 1 290.426 3.134 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246596489 804436765 /nfs/dbraw/zinc/43/67/65/804436765.db2.gz ZOQRKYPHFSDPHF-SOUVJXGZSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246596489 804436768 /nfs/dbraw/zinc/43/67/68/804436768.db2.gz ZOQRKYPHFSDPHF-SOUVJXGZSA-N 2 1 258.425 3.497 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001246607300 804441643 /nfs/dbraw/zinc/44/16/43/804441643.db2.gz GJDSELYQLBZJML-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246607605 804443006 /nfs/dbraw/zinc/44/30/06/804443006.db2.gz UGSHGAJGRKFJKI-VMBOVVBDSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246607605 804443011 /nfs/dbraw/zinc/44/30/11/804443011.db2.gz UGSHGAJGRKFJKI-VMBOVVBDSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)C[C@@H]21 ZINC001246612138 804447090 /nfs/dbraw/zinc/44/70/90/804447090.db2.gz HNLXYMLYTPVHPF-IVSAIRAKSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246611659 804447263 /nfs/dbraw/zinc/44/72/63/804447263.db2.gz VBTHNTLVJYEOPI-NVXWUHKLSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246614334 804449175 /nfs/dbraw/zinc/44/91/75/804449175.db2.gz RRVWRYWAHWIVFO-OAHLLOKOSA-N 2 1 290.426 3.365 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3CCC[C@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246615518 804450403 /nfs/dbraw/zinc/45/04/03/804450403.db2.gz WLFJDMQAAUFPGK-SQNIBIBYSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CCC[C@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246615518 804450407 /nfs/dbraw/zinc/45/04/07/804450407.db2.gz WLFJDMQAAUFPGK-SQNIBIBYSA-N 2 1 270.420 3.151 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCC23CCCCC3)CC[NH2+]1 ZINC001246615214 804450881 /nfs/dbraw/zinc/45/08/81/804450881.db2.gz QVFFUARCFLLGFN-LSDHHAIUSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246623361 804455613 /nfs/dbraw/zinc/45/56/13/804455613.db2.gz QCMRGVCNHWWZSG-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246626713 804457065 /nfs/dbraw/zinc/45/70/65/804457065.db2.gz YKSQMSASJCIQMZ-APWZRJJASA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246626713 804457067 /nfs/dbraw/zinc/45/70/67/804457067.db2.gz YKSQMSASJCIQMZ-APWZRJJASA-N 2 1 286.463 3.398 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624403 804457427 /nfs/dbraw/zinc/45/74/27/804457427.db2.gz PGTTXOFCUCRFNQ-DETPVDSQSA-N 2 1 296.817 3.094 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624403 804457428 /nfs/dbraw/zinc/45/74/28/804457428.db2.gz PGTTXOFCUCRFNQ-DETPVDSQSA-N 2 1 296.817 3.094 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246628111 804459022 /nfs/dbraw/zinc/45/90/22/804459022.db2.gz APHZRRYPKHVBKV-MHJFOBGBSA-N 2 1 298.474 3.473 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246630983 804460057 /nfs/dbraw/zinc/46/00/57/804460057.db2.gz QKOYMHQDXZYHIT-LPHOPBHVSA-N 2 1 286.463 3.256 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246628962 804460268 /nfs/dbraw/zinc/46/02/68/804460268.db2.gz MLHMSQHYIQZOBA-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246632495 804462368 /nfs/dbraw/zinc/46/23/68/804462368.db2.gz VXVJIQMEOTWDSJ-YOEHRIQHSA-N 2 1 292.854 3.347 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246632858 804462485 /nfs/dbraw/zinc/46/24/85/804462485.db2.gz XJQCYIXSJYMBRY-GDBMZVCRSA-N 2 1 250.430 3.031 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246633320 804463767 /nfs/dbraw/zinc/46/37/67/804463767.db2.gz CDBRUZKPDAHDDL-LYBXBRPPSA-N 2 1 296.458 3.251 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246633320 804463768 /nfs/dbraw/zinc/46/37/68/804463768.db2.gz CDBRUZKPDAHDDL-LYBXBRPPSA-N 2 1 296.458 3.251 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634349 804464073 /nfs/dbraw/zinc/46/40/73/804464073.db2.gz BVUOZYOAXYSCNV-RCCFBDPRSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)C[NH2+]1 ZINC001246642474 804469175 /nfs/dbraw/zinc/46/91/75/804469175.db2.gz BUCJADOHVHQNSI-DOTOQJQBSA-N 2 1 284.447 3.107 20 0 CGADMP CC1CCC([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001246645496 804472477 /nfs/dbraw/zinc/47/24/77/804472477.db2.gz NIZXGZGASABJFM-PREGVCBESA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246648831 804477184 /nfs/dbraw/zinc/47/71/84/804477184.db2.gz ZWXHDSZCMFCWFX-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)C2)cc1 ZINC001246654479 804480018 /nfs/dbraw/zinc/48/00/18/804480018.db2.gz DRHUZRDNDUVHHN-BDXSIMOUSA-N 2 1 270.420 3.007 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCCC23CC[NH2+]CC3)C1 ZINC001246656529 804482617 /nfs/dbraw/zinc/48/26/17/804482617.db2.gz UQKFWHMALSLJJA-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP C1CC2(C1)C[C@H]([NH+]1CCC3(CCCC3)CC1)CC[NH2+]2 ZINC001246664306 804486746 /nfs/dbraw/zinc/48/67/46/804486746.db2.gz YLWKPANKPYTSMT-OAHLLOKOSA-N 2 1 262.441 3.317 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246668241 804487819 /nfs/dbraw/zinc/48/78/19/804487819.db2.gz XNEKDXRRNROLHA-KURKYZTESA-N 2 1 272.436 3.080 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246668241 804487822 /nfs/dbraw/zinc/48/78/22/804487822.db2.gz XNEKDXRRNROLHA-KURKYZTESA-N 2 1 272.436 3.080 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246668207 804487979 /nfs/dbraw/zinc/48/79/79/804487979.db2.gz MIKDJHAHRIFYKY-ZJIFWQFVSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246669528 804488443 /nfs/dbraw/zinc/48/84/43/804488443.db2.gz BDWSGVXNZYQRQF-KSZLIROESA-N 2 1 272.436 3.082 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246674950 804490454 /nfs/dbraw/zinc/49/04/54/804490454.db2.gz PFSAOGUALCMLOX-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246677114 804491457 /nfs/dbraw/zinc/49/14/57/804491457.db2.gz GSAOUYLORRUSLW-HOCLYGCPSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246680054 804493986 /nfs/dbraw/zinc/49/39/86/804493986.db2.gz GLHPEIPZLLNGDX-LSDHHAIUSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246684931 804496121 /nfs/dbraw/zinc/49/61/21/804496121.db2.gz BPJIAIPVNJCZFS-SFHVURJKSA-N 2 1 274.452 3.328 20 0 CGADMP C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246695099 804499076 /nfs/dbraw/zinc/49/90/76/804499076.db2.gz OJCIGWRCTYDIHF-FUHWJXTLSA-N 2 1 272.436 3.397 20 0 CGADMP CC[C@@H]1CC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)C[C@@H](CC)[NH2+]1 ZINC001246756893 804500965 /nfs/dbraw/zinc/50/09/65/804500965.db2.gz AMERWRNYBORYNW-IFCWYPFCSA-N 2 1 294.483 3.043 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OC)CC[NH2+]1 ZINC001246769111 804503060 /nfs/dbraw/zinc/50/30/60/804503060.db2.gz IFQAWMCWHKCRFK-IAGOWNOFSA-N 2 1 290.451 3.438 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC)CC[NH2+]1 ZINC001246769111 804503067 /nfs/dbraw/zinc/50/30/67/804503067.db2.gz IFQAWMCWHKCRFK-IAGOWNOFSA-N 2 1 290.451 3.438 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246779478 804506708 /nfs/dbraw/zinc/50/67/08/804506708.db2.gz HUXWDHPWTQIVER-SJORKVTESA-N 2 1 260.425 3.069 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246781066 804508614 /nfs/dbraw/zinc/50/86/14/804508614.db2.gz XJKHSTNQARQSAN-DLBZAZTESA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246793200 804514896 /nfs/dbraw/zinc/51/48/96/804514896.db2.gz BDCRQGFWHQOKSH-AWEZNQCLSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@H]1C ZINC001246792762 804515161 /nfs/dbraw/zinc/51/51/61/804515161.db2.gz WTLHPJPBRCZKFZ-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP Fc1ccccc1[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246793848 804517301 /nfs/dbraw/zinc/51/73/01/804517301.db2.gz FLKNWLYJLHTDON-DVJFUJMWSA-N 2 1 274.383 3.246 20 0 CGADMP Fc1ccc(F)c([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246793716 804517743 /nfs/dbraw/zinc/51/77/43/804517743.db2.gz WPDIPXTYNAVCKX-CKQIIDDLSA-N 2 1 292.373 3.385 20 0 CGADMP Fc1ccc(F)c([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246793716 804517744 /nfs/dbraw/zinc/51/77/44/804517744.db2.gz WPDIPXTYNAVCKX-CKQIIDDLSA-N 2 1 292.373 3.385 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246795069 804518120 /nfs/dbraw/zinc/51/81/20/804518120.db2.gz HLQYIIMFVUTMGZ-MNOVXSKESA-N 2 1 287.234 3.205 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246796909 804519092 /nfs/dbraw/zinc/51/90/92/804519092.db2.gz NUNXTOXAJWILOZ-DVOMOZLQSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246798212 804519245 /nfs/dbraw/zinc/51/92/45/804519245.db2.gz QKPMGRCGJJCQKX-CQSZACIVSA-N 2 1 278.415 3.078 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCc3ccsc3C2)C[C@@H](CC)[NH2+]1 ZINC001246800670 804521840 /nfs/dbraw/zinc/52/18/40/804521840.db2.gz XMMRHGBPPKMSPU-ZIAGYGMSSA-N 2 1 278.465 3.415 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@@H](c3ccccc3F)C2)C[C@@H](C)[NH2+]1 ZINC001246801245 804522303 /nfs/dbraw/zinc/52/23/03/804522303.db2.gz GJBQCQHAZCOYJH-MGPQQGTHSA-N 2 1 276.399 3.144 20 0 CGADMP CC[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246803490 804523684 /nfs/dbraw/zinc/52/36/84/804523684.db2.gz KZGQQULDRWWSCQ-LSDHHAIUSA-N 2 1 250.430 3.316 20 0 CGADMP CC[NH2+]C1CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246803943 804523935 /nfs/dbraw/zinc/52/39/35/804523935.db2.gz NZAPTQVGUSXGLU-OAHLLOKOSA-N 2 1 292.854 3.271 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)(C)OC)C[C@H](CC)[NH2+]1 ZINC001246811745 804528675 /nfs/dbraw/zinc/52/86/75/804528675.db2.gz WCODAHIXYVUUGF-JJXSEGSLSA-N 2 1 282.472 3.185 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC2(CCc3ccccc32)CC1 ZINC001246815348 804532185 /nfs/dbraw/zinc/53/21/85/804532185.db2.gz YDDSSEDQEAEBAO-VQSBYGRUSA-N 2 1 298.474 3.355 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCCc3ccccc3C2)CC[NH2+]1 ZINC001246815453 804532617 /nfs/dbraw/zinc/53/26/17/804532617.db2.gz CVTLFUZEWJMFQK-ROUUACIJSA-N 2 1 272.436 3.211 20 0 CGADMP C1C[C@@H]2CCC[N@@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)[C@@H]2C1 ZINC001246819906 804533518 /nfs/dbraw/zinc/53/35/18/804533518.db2.gz LCRGZYBCPCABDH-BZUAXINKSA-N 2 1 262.441 3.173 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC001246829531 804541356 /nfs/dbraw/zinc/54/13/56/804541356.db2.gz KWSYJQJSDHIRTP-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CC[C@H]3CCCC[C@H]3C1)CC2 ZINC001246833937 804542381 /nfs/dbraw/zinc/54/23/81/804542381.db2.gz ILPNGENWBXVZQK-CABCVRRESA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246835358 804544542 /nfs/dbraw/zinc/54/45/42/804544542.db2.gz RNWSQQVTKIPZHM-NJAFHUGGSA-N 2 1 290.426 3.392 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246835364 804544647 /nfs/dbraw/zinc/54/46/47/804544647.db2.gz RNWSQQVTKIPZHM-SZMVWBNQSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246840205 804547615 /nfs/dbraw/zinc/54/76/15/804547615.db2.gz GFSVIEKMENRWCO-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C1CCC(c3ccccc3)CC1)C2 ZINC001246839079 804547793 /nfs/dbraw/zinc/54/77/93/804547793.db2.gz AVFQBWQTRDYSPR-GKHYGCEVSA-N 2 1 284.447 3.382 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246838975 804548291 /nfs/dbraw/zinc/54/82/91/804548291.db2.gz KYJBEDGXWHCQAZ-JFRXWTBNSA-N 2 1 286.463 3.328 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246840710 804549863 /nfs/dbraw/zinc/54/98/63/804549863.db2.gz JKFHBBFUZAKUJX-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246843307 804552097 /nfs/dbraw/zinc/55/20/97/804552097.db2.gz FRYBEOLRNDPENE-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246843272 804552620 /nfs/dbraw/zinc/55/26/20/804552620.db2.gz FFKWILZNOASKMI-UONOGXRCSA-N 2 1 278.827 3.011 20 0 CGADMP CC[N@H+](Cc1ccccc1F)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246845983 804553450 /nfs/dbraw/zinc/55/34/50/804553450.db2.gz MLUUTYXOESKPNO-STQMWFEESA-N 2 1 264.388 3.177 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246845983 804553456 /nfs/dbraw/zinc/55/34/56/804553456.db2.gz MLUUTYXOESKPNO-STQMWFEESA-N 2 1 264.388 3.177 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246849983 804559271 /nfs/dbraw/zinc/55/92/71/804559271.db2.gz SQEJVWCEHIZFQP-DJIMGWMZSA-N 2 1 276.399 3.146 20 0 CGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246849026 804560161 /nfs/dbraw/zinc/56/01/61/804560161.db2.gz YTBFOSHJNZSTOY-CWQOZTLDSA-N 2 1 294.483 3.248 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246851084 804560222 /nfs/dbraw/zinc/56/02/22/804560222.db2.gz YKTVOSUQFYDRNC-FZMZJTMJSA-N 2 1 296.867 3.180 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001246850476 804560602 /nfs/dbraw/zinc/56/06/02/804560602.db2.gz CFIQMXWBFKVMAJ-UXLLHSPISA-N 2 1 262.441 3.303 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC001246851539 804562329 /nfs/dbraw/zinc/56/23/29/804562329.db2.gz KTSSUJWETJBRDL-INWMFGNUSA-N 2 1 278.827 3.270 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246858110 804563654 /nfs/dbraw/zinc/56/36/54/804563654.db2.gz BDUIBWJBFHNPOS-IAGOWNOFSA-N 2 1 278.415 3.424 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246866292 804570070 /nfs/dbraw/zinc/57/00/70/804570070.db2.gz JABXLEUWAUQPML-WBVHZDCISA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246873589 804572959 /nfs/dbraw/zinc/57/29/59/804572959.db2.gz UEEAUCWGNJQOGT-AYOQOUSVSA-N 2 1 284.447 3.356 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246874205 804574656 /nfs/dbraw/zinc/57/46/56/804574656.db2.gz WCIDIAYMDSWBQJ-NVXWUHKLSA-N 2 1 294.389 3.319 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246882793 804578738 /nfs/dbraw/zinc/57/87/38/804578738.db2.gz NZQMWIDCNITMEY-DZGCQCFKSA-N 2 1 266.454 3.347 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2ccc(C)cc2C1 ZINC001246893569 804584756 /nfs/dbraw/zinc/58/47/56/804584756.db2.gz KSPDEDRCZNPJFO-IBGZPJMESA-N 2 1 286.463 3.316 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246902989 804588304 /nfs/dbraw/zinc/58/83/04/804588304.db2.gz WMQYFKNPMZEIBJ-CQSZACIVSA-N 2 1 296.867 3.009 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246905301 804589657 /nfs/dbraw/zinc/58/96/57/804589657.db2.gz CWCXIYGKTGMWEB-MRXNPFEDSA-N 2 1 260.425 3.082 20 0 CGADMP CCC[N@@H+](CC(C)C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246910875 804594572 /nfs/dbraw/zinc/59/45/72/804594572.db2.gz MQXYDFPSVRNQNY-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@@H](C)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246914215 804596203 /nfs/dbraw/zinc/59/62/03/804596203.db2.gz KBSRHKAWVKXIHE-OAHLLOKOSA-N 2 1 260.425 3.429 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246913286 804596805 /nfs/dbraw/zinc/59/68/05/804596805.db2.gz WCZRLKGCJHBELD-AEFFLSMTSA-N 2 1 290.426 3.222 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246917804 804598040 /nfs/dbraw/zinc/59/80/40/804598040.db2.gz BBMHYBWNDRAGED-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246917804 804598045 /nfs/dbraw/zinc/59/80/45/804598045.db2.gz BBMHYBWNDRAGED-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246918246 804599042 /nfs/dbraw/zinc/59/90/42/804599042.db2.gz CSUGIOPXYOIMGJ-VQHPVUNQSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246918246 804599048 /nfs/dbraw/zinc/59/90/48/804599048.db2.gz CSUGIOPXYOIMGJ-VQHPVUNQSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246918402 804599289 /nfs/dbraw/zinc/59/92/89/804599289.db2.gz FDWKABILFMIWMB-QBPKDAKJSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246918402 804599297 /nfs/dbraw/zinc/59/92/97/804599297.db2.gz FDWKABILFMIWMB-QBPKDAKJSA-N 2 1 264.457 3.275 20 0 CGADMP CCCCC[C@H](CC)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246929778 804605987 /nfs/dbraw/zinc/60/59/87/804605987.db2.gz QIVCYXZUFLIHJN-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@H](CC)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246929778 804605990 /nfs/dbraw/zinc/60/59/90/804605990.db2.gz QIVCYXZUFLIHJN-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP COCC[N@H+](C1CCC(C(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC001246931161 804607549 /nfs/dbraw/zinc/60/75/49/804607549.db2.gz WWDJGLBSHUHBJR-JCYILVPMSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[N@@H+](C1CCC(C(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC001246931161 804607551 /nfs/dbraw/zinc/60/75/51/804607551.db2.gz WWDJGLBSHUHBJR-JCYILVPMSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246937357 804608759 /nfs/dbraw/zinc/60/87/59/804608759.db2.gz LJOLNIHVSPUSIT-ZBFHGGJFSA-N 2 1 264.457 3.419 20 0 CGADMP C1CC2(C1)CCC[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246939879 804610843 /nfs/dbraw/zinc/61/08/43/804610843.db2.gz HQMDOLWHLBOIMB-DOTOQJQBSA-N 2 1 262.441 3.175 20 0 CGADMP CCCCCC[C@H](CCC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947222 804613513 /nfs/dbraw/zinc/61/35/13/804613513.db2.gz JTEZDLQQKHOAPH-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP CCSC[C@@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246948860 804615593 /nfs/dbraw/zinc/61/55/93/804615593.db2.gz FYOTYKUAOGNGAW-CYBMUJFWSA-N 2 1 272.502 3.228 20 0 CGADMP CCCC1CCC([N@@H+](CCOCC)C2CC[NH2+]CC2)CC1 ZINC001246951302 804615875 /nfs/dbraw/zinc/61/58/75/804615875.db2.gz TWHLVENXQSPYEY-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1Cl ZINC001141233082 804619349 /nfs/dbraw/zinc/61/93/49/804619349.db2.gz NJIIEEIPPHXVHD-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1Cl ZINC001141233082 804619352 /nfs/dbraw/zinc/61/93/52/804619352.db2.gz NJIIEEIPPHXVHD-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246968559 804620416 /nfs/dbraw/zinc/62/04/16/804620416.db2.gz RLJPQPJEOSWWEO-BCDXTJNWSA-N 2 1 270.420 3.026 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246972911 804622089 /nfs/dbraw/zinc/62/20/89/804622089.db2.gz GISRSFQCOYDZEW-VGWMRTNUSA-N 2 1 252.446 3.405 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246973018 804622254 /nfs/dbraw/zinc/62/22/54/804622254.db2.gz LLQPQESKKPCFKA-FUHWJXTLSA-N 2 1 286.463 3.390 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@H]12 ZINC001246972031 804622982 /nfs/dbraw/zinc/62/29/82/804622982.db2.gz CEWDWIDFLWDXHC-ZSDFWYKJSA-N 2 1 298.474 3.457 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246975704 804624842 /nfs/dbraw/zinc/62/48/42/804624842.db2.gz OECJMMZXZDBTKC-KTSGXFQWSA-N 2 1 296.817 3.079 20 0 CGADMP CC[C@@H](CC(C)C)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246978454 804625680 /nfs/dbraw/zinc/62/56/80/804625680.db2.gz VBPMRMLONOYJFB-AWEZNQCLSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CCC[C@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)C1 ZINC001246979247 804625894 /nfs/dbraw/zinc/62/58/94/804625894.db2.gz XZQIKDPPBVPHPN-CJNGLKHVSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])C2)CC(C)(C)C1 ZINC001247005892 804637210 /nfs/dbraw/zinc/63/72/10/804637210.db2.gz VWOMUQCCUVDFRJ-IIAWOOMASA-N 2 1 252.446 3.262 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015209 804643163 /nfs/dbraw/zinc/64/31/63/804643163.db2.gz NIXFZLUTSTXDQK-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015209 804643165 /nfs/dbraw/zinc/64/31/65/804643165.db2.gz NIXFZLUTSTXDQK-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc2c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cccc2n1 ZINC001248572958 804956354 /nfs/dbraw/zinc/95/63/54/804956354.db2.gz CFMYHCTVAISPSP-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cccc2n1 ZINC001248572958 804956360 /nfs/dbraw/zinc/95/63/60/804956360.db2.gz CFMYHCTVAISPSP-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cccc2n1 ZINC001248572958 804956363 /nfs/dbraw/zinc/95/63/63/804956363.db2.gz CFMYHCTVAISPSP-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP CC(C)c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)[nH+]c1 ZINC001155267579 805565222 /nfs/dbraw/zinc/56/52/22/805565222.db2.gz APCQMCCJTBYYJB-UHFFFAOYSA-N 2 1 281.403 3.463 20 0 CGADMP [NH3+]Cc1ccc(N[C@H]2CCC[N@H+](C3CCCC3)C2)cc1F ZINC001256908720 807008144 /nfs/dbraw/zinc/00/81/44/807008144.db2.gz NKNJWVWDOFLROE-HNNXBMFYSA-N 2 1 291.414 3.103 20 0 CGADMP CCCN(CCC[NH+](C)C)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256922128 807013067 /nfs/dbraw/zinc/01/30/67/807013067.db2.gz BRRCBPCYVNBHES-SFHVURJKSA-N 2 1 295.515 3.057 20 0 CGADMP CCC(CC)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001257291676 807089035 /nfs/dbraw/zinc/08/90/35/807089035.db2.gz LSDFSDLPJVRKPM-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(CC)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001257291676 807089044 /nfs/dbraw/zinc/08/90/44/807089044.db2.gz LSDFSDLPJVRKPM-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CCCC2)CC1 ZINC001257346355 807117340 /nfs/dbraw/zinc/11/73/40/807117340.db2.gz FLAHZESXJUEPBI-JCNLHEQBSA-N 2 1 273.424 3.096 20 0 CGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCCCC3)C2)C1 ZINC001257456343 807165789 /nfs/dbraw/zinc/16/57/89/807165789.db2.gz SMPRFWBEPXPUHA-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C3CCCCC3)C2)C1 ZINC001257456343 807165792 /nfs/dbraw/zinc/16/57/92/807165792.db2.gz SMPRFWBEPXPUHA-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCCCC3)C2)C1 ZINC001257456343 807165795 /nfs/dbraw/zinc/16/57/95/807165795.db2.gz SMPRFWBEPXPUHA-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C3CCCCC3)C2)C1 ZINC001257456343 807165799 /nfs/dbraw/zinc/16/57/99/807165799.db2.gz SMPRFWBEPXPUHA-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1[C@H]1CCCSC1 ZINC001257676256 807211656 /nfs/dbraw/zinc/21/16/56/807211656.db2.gz AHTQDUCDBDYBMZ-CVEARBPZSA-N 2 1 282.497 3.222 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2c1ccn2C ZINC001167754285 807244017 /nfs/dbraw/zinc/24/40/17/807244017.db2.gz QYTYGQUVLIFGTD-AWEZNQCLSA-N 2 1 286.423 3.250 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1cccnc1 ZINC001167827150 807256055 /nfs/dbraw/zinc/25/60/55/807256055.db2.gz TZWXMGDCYJUGEZ-INIZCTEOSA-N 2 1 277.456 3.066 20 0 CGADMP CC(C)[N@H+]([C@@H]1COc2ccc(Cl)cc2C1)C(C)(C)C[NH3+] ZINC001257958933 807256269 /nfs/dbraw/zinc/25/62/69/807256269.db2.gz HRPFTXPROBAMHR-AWEZNQCLSA-N 2 1 296.842 3.091 20 0 CGADMP CC(C)[N@@H+]([C@@H]1COc2ccc(Cl)cc2C1)C(C)(C)C[NH3+] ZINC001257958933 807256276 /nfs/dbraw/zinc/25/62/76/807256276.db2.gz HRPFTXPROBAMHR-AWEZNQCLSA-N 2 1 296.842 3.091 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[N@@H+](C)CC12CCCC2 ZINC001167835255 807258385 /nfs/dbraw/zinc/25/83/85/807258385.db2.gz PYLASFPUTMFVMJ-QGZVFWFLSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1c1ncccn1 ZINC001167835230 807259385 /nfs/dbraw/zinc/25/93/85/807259385.db2.gz PIPNSXFKVPOFNE-CVEARBPZSA-N 2 1 290.455 3.124 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC001258007238 807265338 /nfs/dbraw/zinc/26/53/38/807265338.db2.gz SUGUJODFYDPCRQ-GOSISDBHSA-N 2 1 288.435 3.090 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)C[C@H](C)CC(C)C ZINC001258053218 807279068 /nfs/dbraw/zinc/27/90/68/807279068.db2.gz VBCYYAUIDYZWIS-OLZOCXBDSA-N 2 1 251.418 3.326 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccnc1 ZINC001167958786 807285436 /nfs/dbraw/zinc/28/54/36/807285436.db2.gz KGCDMTMCHSYSFW-DXJOGWAWSA-N 2 1 285.435 3.138 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccnc1 ZINC001167958786 807285437 /nfs/dbraw/zinc/28/54/37/807285437.db2.gz KGCDMTMCHSYSFW-DXJOGWAWSA-N 2 1 285.435 3.138 20 0 CGADMP CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959912 807285590 /nfs/dbraw/zinc/28/55/90/807285590.db2.gz UZONQTYYYZLYRR-GOOCMWNKSA-N 2 1 250.430 3.028 20 0 CGADMP c1cnc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966470 807288091 /nfs/dbraw/zinc/28/80/91/807288091.db2.gz WBCZMXIWWUSQNU-HQSKLWIPSA-N 2 1 297.446 3.064 20 0 CGADMP c1cnc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966470 807288096 /nfs/dbraw/zinc/28/80/96/807288096.db2.gz WBCZMXIWWUSQNU-HQSKLWIPSA-N 2 1 297.446 3.064 20 0 CGADMP CC1CC([N@H+](C)C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140970 807320314 /nfs/dbraw/zinc/32/03/14/807320314.db2.gz PZDSPRCICRLFKB-UHFFFAOYSA-N 2 1 286.463 3.424 20 0 CGADMP CC1CC([N@@H+](C)C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140970 807320321 /nfs/dbraw/zinc/32/03/21/807320321.db2.gz PZDSPRCICRLFKB-UHFFFAOYSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1CC([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H](C)C1 ZINC001258159782 807328302 /nfs/dbraw/zinc/32/83/02/807328302.db2.gz GQLDOCLWUUBRHZ-DEYYWGMASA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H](C)C1 ZINC001258159782 807328311 /nfs/dbraw/zinc/32/83/11/807328311.db2.gz GQLDOCLWUUBRHZ-DEYYWGMASA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@@H](C)C1 ZINC001258167365 807332419 /nfs/dbraw/zinc/33/24/19/807332419.db2.gz INJGLANUMOXDJN-GJZGRUSLSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001168324828 807383220 /nfs/dbraw/zinc/38/32/20/807383220.db2.gz YBGPSWJPESKCGF-UHFFFAOYSA-N 2 1 264.388 3.130 20 0 CGADMP C[C@H]1C(=O)CC[N@@H+](C2CCC([NH+](C)C)CC2)C12CCCC2 ZINC001168329992 807386599 /nfs/dbraw/zinc/38/65/99/807386599.db2.gz MFVTWRRFQDTHQJ-FHERZECASA-N 2 1 292.467 3.083 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168399175 807404997 /nfs/dbraw/zinc/40/49/97/807404997.db2.gz YKBJHTUXMQLMHD-KOMQPUFPSA-N 2 1 264.457 3.371 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168402075 807406470 /nfs/dbraw/zinc/40/64/70/807406470.db2.gz XYXGFFNHGMXEGC-GOSISDBHSA-N 2 1 292.442 3.395 20 0 CGADMP CCCCC(CCCC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258387263 807436199 /nfs/dbraw/zinc/43/61/99/807436199.db2.gz KUHWFVFOWYTQQD-GASCZTMLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC(C)(C)C1 ZINC001258699442 807552284 /nfs/dbraw/zinc/55/22/84/807552284.db2.gz FHJGWNIHRBGOLT-BFYDXBDKSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC(C)(C)C1 ZINC001258699442 807552286 /nfs/dbraw/zinc/55/22/86/807552286.db2.gz FHJGWNIHRBGOLT-BFYDXBDKSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC(C)(C)C1 ZINC001258699442 807552287 /nfs/dbraw/zinc/55/22/87/807552287.db2.gz FHJGWNIHRBGOLT-BFYDXBDKSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258698584 807552362 /nfs/dbraw/zinc/55/23/62/807552362.db2.gz QYCYHCDYZAASLW-ZBFHGGJFSA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)n1c[nH+]cc1CC[NH3+] ZINC001258701002 807554706 /nfs/dbraw/zinc/55/47/06/807554706.db2.gz FQGJWBDOZFVMNP-INIZCTEOSA-N 2 1 271.408 3.358 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258705213 807560583 /nfs/dbraw/zinc/56/05/83/807560583.db2.gz VRGHLFSLHKLIFE-MWDXBVQZSA-N 2 1 278.484 3.475 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258705051 807560644 /nfs/dbraw/zinc/56/06/44/807560644.db2.gz VAGRFBVHGCRHMI-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169078804 807567906 /nfs/dbraw/zinc/56/79/06/807567906.db2.gz HCABSXMRIATBLL-VCOSZWKGSA-N 2 1 262.372 3.102 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)c1ccccc1)C2 ZINC001169089940 807572096 /nfs/dbraw/zinc/57/20/96/807572096.db2.gz GYUBDZNZVQXPTB-BJWYYQGGSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001169100338 807575448 /nfs/dbraw/zinc/57/54/48/807575448.db2.gz JJCQDYDHRLPMNA-RBGFHDKUSA-N 2 1 264.457 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cccc(F)c1)C2 ZINC001169100689 807576616 /nfs/dbraw/zinc/57/66/16/807576616.db2.gz LIRDNDLVCMFDIA-MUJYYYPQSA-N 2 1 276.399 3.276 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101497 807578442 /nfs/dbraw/zinc/57/84/42/807578442.db2.gz SWFMMDWRTSOVMR-MUJYYYPQSA-N 2 1 258.409 3.018 20 0 CGADMP Cc1cccc(C(C)(C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169116962 807580625 /nfs/dbraw/zinc/58/06/25/807580625.db2.gz UXGRFZGIHKCUNW-OSYLJGHBSA-N 2 1 272.436 3.445 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(C)CCC(F)(F)CC1)C2 ZINC001169114996 807580907 /nfs/dbraw/zinc/58/09/07/807580907.db2.gz GEYPCLJHEHVGQX-CLLJXQQHSA-N 2 1 272.383 3.169 20 0 CGADMP CC(C)P(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC001169118552 807582979 /nfs/dbraw/zinc/58/29/79/807582979.db2.gz JXPGPHLITQQKQE-PHZGNYQRSA-N 2 1 284.428 3.500 20 0 CGADMP CC(C)P(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169118552 807582981 /nfs/dbraw/zinc/58/29/81/807582981.db2.gz JXPGPHLITQQKQE-PHZGNYQRSA-N 2 1 284.428 3.500 20 0 CGADMP CC(C)[PH+](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169118552 807582976 /nfs/dbraw/zinc/58/29/76/807582976.db2.gz JXPGPHLITQQKQE-PHZGNYQRSA-N 3 1 284.428 3.500 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1cccc(Cl)c1 ZINC001258739378 807584675 /nfs/dbraw/zinc/58/46/75/807584675.db2.gz XUCBVRUMMDZFLP-ZDUSSCGKSA-N 2 1 268.832 3.330 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1c1cccnc1)C2 ZINC001169139984 807588340 /nfs/dbraw/zinc/58/83/40/807588340.db2.gz HAMQASNNXGPDKQ-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H]1c1cccnc1)C2 ZINC001169139984 807588344 /nfs/dbraw/zinc/58/83/44/807588344.db2.gz HAMQASNNXGPDKQ-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H]1c1cccnc1)C2 ZINC001169139984 807588348 /nfs/dbraw/zinc/58/83/48/807588348.db2.gz HAMQASNNXGPDKQ-MLHJIOFPSA-N 2 1 285.435 3.234 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169145569 807591932 /nfs/dbraw/zinc/59/19/32/807591932.db2.gz NAFRSGWXYLHKPO-PIIMJCKOSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145569 807591936 /nfs/dbraw/zinc/59/19/36/807591936.db2.gz NAFRSGWXYLHKPO-PIIMJCKOSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145569 807591941 /nfs/dbraw/zinc/59/19/41/807591941.db2.gz NAFRSGWXYLHKPO-PIIMJCKOSA-N 2 1 272.436 3.095 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC23CCCCC3)CC1 ZINC001258772335 807605181 /nfs/dbraw/zinc/60/51/81/807605181.db2.gz NQNHHIXRFBUTDP-UHFFFAOYSA-N 2 1 250.430 3.269 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC23CCCCC3)CC1 ZINC001258772335 807605185 /nfs/dbraw/zinc/60/51/85/807605185.db2.gz NQNHHIXRFBUTDP-UHFFFAOYSA-N 2 1 250.430 3.269 20 0 CGADMP CCC[NH+]1CCC([NH+](CC(C)C)CC(C)C)CC1 ZINC001258771673 807605557 /nfs/dbraw/zinc/60/55/57/807605557.db2.gz NYHNPLFBQFAVIF-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001169233072 807611340 /nfs/dbraw/zinc/61/13/40/807611340.db2.gz JEHIDPAEFQBFRG-QGZVFWFLSA-N 2 1 292.854 3.271 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001169244240 807612187 /nfs/dbraw/zinc/61/21/87/807612187.db2.gz JEYBZRYGDGKHSJ-HOTGVXAUSA-N 2 1 278.827 3.270 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001169254992 807615303 /nfs/dbraw/zinc/61/53/03/807615303.db2.gz LOAVKPSRFYXGKV-QGZVFWFLSA-N 2 1 272.436 3.350 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001169254992 807615305 /nfs/dbraw/zinc/61/53/05/807615305.db2.gz LOAVKPSRFYXGKV-QGZVFWFLSA-N 2 1 272.436 3.350 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258795687 807618010 /nfs/dbraw/zinc/61/80/10/807618010.db2.gz SZNONINSVJSZEC-GOEBONIOSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC001258907642 807672810 /nfs/dbraw/zinc/67/28/10/807672810.db2.gz LSBFDMRIHCJBGA-CABCVRRESA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC001258907961 807672717 /nfs/dbraw/zinc/67/27/17/807672717.db2.gz PENIULJYZUVNFL-INIZCTEOSA-N 2 1 277.456 3.066 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001258910968 807673958 /nfs/dbraw/zinc/67/39/58/807673958.db2.gz YASKSROYFFVDTQ-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP C[N@H+](CC[NH2+]CCCC(F)(F)F)C1CCCCC1 ZINC001262359817 807853839 /nfs/dbraw/zinc/85/38/39/807853839.db2.gz LELFOGYNPSSZNM-UHFFFAOYSA-N 2 1 266.351 3.183 20 0 CGADMP C[N@@H+](CC[NH2+]CCCC(F)(F)F)C1CCCCC1 ZINC001262359817 807853848 /nfs/dbraw/zinc/85/38/48/807853848.db2.gz LELFOGYNPSSZNM-UHFFFAOYSA-N 2 1 266.351 3.183 20 0 CGADMP CC(C)C1(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001262378628 807862763 /nfs/dbraw/zinc/86/27/63/807862763.db2.gz HBNXKFZYHJVRES-HRCADAONSA-N 2 1 264.457 3.085 20 0 CGADMP CC(C)C1(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001262378630 807863362 /nfs/dbraw/zinc/86/33/62/807863362.db2.gz HBNXKFZYHJVRES-XHSDSOJGSA-N 2 1 264.457 3.085 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170954249 807943418 /nfs/dbraw/zinc/94/34/18/807943418.db2.gz DYJFOHMTOUXYKG-WBAXXEDZSA-N 2 1 290.426 3.145 20 0 CGADMP C[N@H+](Cc1cccnc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628732 808107442 /nfs/dbraw/zinc/10/74/42/808107442.db2.gz IHUJMGFPDNMVKS-UHFFFAOYSA-N 2 1 275.440 3.165 20 0 CGADMP C[N@@H+](Cc1cccnc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628732 808107447 /nfs/dbraw/zinc/10/74/47/808107447.db2.gz IHUJMGFPDNMVKS-UHFFFAOYSA-N 2 1 275.440 3.165 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C2CSC2)CC[N@H+]1Cc1ccccc1 ZINC001171972902 808162745 /nfs/dbraw/zinc/16/27/45/808162745.db2.gz UEYAXLYLQDDYLC-HNNXBMFYSA-N 2 1 290.476 3.135 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C2 ZINC001172102135 808171767 /nfs/dbraw/zinc/17/17/67/808171767.db2.gz KCUUZXNWYHYELU-CLLJXQQHSA-N 2 1 298.352 3.209 20 0 CGADMP Cc1ccsc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101201 808172694 /nfs/dbraw/zinc/17/26/94/808172694.db2.gz XJDWZLKAIPHLJF-ZSOGYDGISA-N 2 1 264.438 3.161 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CCCCC1)C2 ZINC001172101281 808172843 /nfs/dbraw/zinc/17/28/43/808172843.db2.gz YDARYPXFQHBWAM-PHZGNYQRSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172102201 808173529 /nfs/dbraw/zinc/17/35/29/808173529.db2.gz KYYCSPLSCAKEBI-REPLKXPHSA-N 2 1 286.463 3.451 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC001172103422 808173573 /nfs/dbraw/zinc/17/35/73/808173573.db2.gz UMLSWCYBJGTAKS-FUEQMBEKSA-N 2 1 288.479 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC001172103422 808173580 /nfs/dbraw/zinc/17/35/80/808173580.db2.gz UMLSWCYBJGTAKS-FUEQMBEKSA-N 2 1 288.479 3.416 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172103722 808174621 /nfs/dbraw/zinc/17/46/21/808174621.db2.gz WZGCVZBCYLPWDS-NNZMDNLPSA-N 2 1 272.436 3.408 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C)CC(F)(F)C1)C2 ZINC001172108088 808177002 /nfs/dbraw/zinc/17/70/02/808177002.db2.gz PBSVTWWWBGAPCX-XYYAHUGASA-N 2 1 272.383 3.027 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)C2 ZINC001172110786 808178546 /nfs/dbraw/zinc/17/85/46/808178546.db2.gz PECRUPUIWWTKII-FJIDUMEYSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)C2 ZINC001172110786 808178549 /nfs/dbraw/zinc/17/85/49/808178549.db2.gz PECRUPUIWWTKII-FJIDUMEYSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(OC3CCC3)CC1)C2 ZINC001172116728 808181638 /nfs/dbraw/zinc/18/16/38/808181638.db2.gz CKZBXVJMEZCINN-ZSHCYNCHSA-N 2 1 292.467 3.035 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(OC3CCC3)CC1)C2 ZINC001172116728 808181644 /nfs/dbraw/zinc/18/16/44/808181644.db2.gz CKZBXVJMEZCINN-ZSHCYNCHSA-N 2 1 292.467 3.035 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@](C)(F)C1)C2 ZINC001172120019 808182465 /nfs/dbraw/zinc/18/24/65/808182465.db2.gz IWROTHQQJITQLE-JJXSEGSLSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@](C)(F)C1)C2 ZINC001172120019 808182469 /nfs/dbraw/zinc/18/24/69/808182469.db2.gz IWROTHQQJITQLE-JJXSEGSLSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@](C)(F)C1)C2 ZINC001172120019 808182472 /nfs/dbraw/zinc/18/24/72/808182472.db2.gz IWROTHQQJITQLE-JJXSEGSLSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@](C)(F)C1)C2 ZINC001172120019 808182475 /nfs/dbraw/zinc/18/24/75/808182475.db2.gz IWROTHQQJITQLE-JJXSEGSLSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@H+](CCc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122480 808183042 /nfs/dbraw/zinc/18/30/42/808183042.db2.gz BPWPBHUMHOQTKV-PIIMJCKOSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122480 808183048 /nfs/dbraw/zinc/18/30/48/808183048.db2.gz BPWPBHUMHOQTKV-PIIMJCKOSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122480 808183050 /nfs/dbraw/zinc/18/30/50/808183050.db2.gz BPWPBHUMHOQTKV-PIIMJCKOSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122480 808183055 /nfs/dbraw/zinc/18/30/55/808183055.db2.gz BPWPBHUMHOQTKV-PIIMJCKOSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3cc(CC[NH3+])ccc31)C2 ZINC001172119367 808183512 /nfs/dbraw/zinc/18/35/12/808183512.db2.gz YWFQCBKQQMLZJX-PIIMJCKOSA-N 2 1 297.446 3.330 20 0 CGADMP COc1cccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172122737 808183557 /nfs/dbraw/zinc/18/35/57/808183557.db2.gz TZHNECLXDBTIBE-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1cccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172122737 808183559 /nfs/dbraw/zinc/18/35/59/808183559.db2.gz TZHNECLXDBTIBE-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1cccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172122737 808183561 /nfs/dbraw/zinc/18/35/61/808183561.db2.gz TZHNECLXDBTIBE-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3ccccn3)CC1)C2 ZINC001172123437 808185549 /nfs/dbraw/zinc/18/55/49/808185549.db2.gz GDGVKIMACBSTBY-BCDXTJNWSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3ccccn3)CC1)C2 ZINC001172123437 808185551 /nfs/dbraw/zinc/18/55/51/808185551.db2.gz GDGVKIMACBSTBY-BCDXTJNWSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CSc2ccccc2C1 ZINC001172203652 808197741 /nfs/dbraw/zinc/19/77/41/808197741.db2.gz USYIOLJYPHVNFV-INIZCTEOSA-N 2 1 290.476 3.121 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CSc2ccccc2C1 ZINC001172203652 808197743 /nfs/dbraw/zinc/19/77/43/808197743.db2.gz USYIOLJYPHVNFV-INIZCTEOSA-N 2 1 290.476 3.121 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCO[C@H](C)CC)C1 ZINC001172341320 808242116 /nfs/dbraw/zinc/24/21/16/808242116.db2.gz YVLUFHYEYKFODM-OAGGEKHMSA-N 2 1 284.488 3.433 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)CCO[C@H](C)CC)C1 ZINC001172341320 808242120 /nfs/dbraw/zinc/24/21/20/808242120.db2.gz YVLUFHYEYKFODM-OAGGEKHMSA-N 2 1 284.488 3.433 20 0 CGADMP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001172394509 808284695 /nfs/dbraw/zinc/28/46/95/808284695.db2.gz VVMHPHFDVRSWLY-INIZCTEOSA-N 2 1 275.440 3.156 20 0 CGADMP CC(C)OCC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172439350 808314796 /nfs/dbraw/zinc/31/47/96/808314796.db2.gz CZFBIAJCSPCAHE-INIZCTEOSA-N 2 1 282.472 3.140 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172462260 808332194 /nfs/dbraw/zinc/33/21/94/808332194.db2.gz NYQPOKDVCWQZES-IAGOWNOFSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)COCC[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172471480 808338893 /nfs/dbraw/zinc/33/88/93/808338893.db2.gz KWOQGOXBQGJNQD-IAGOWNOFSA-N 2 1 284.488 3.279 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550292 808380195 /nfs/dbraw/zinc/38/01/95/808380195.db2.gz DMNIRRJDSAQQHF-KZNAEPCWSA-N 2 1 272.436 3.397 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172730273 808424369 /nfs/dbraw/zinc/42/43/69/808424369.db2.gz BTXVQSWWHHDZJB-CRAIPNDOSA-N 2 1 276.468 3.373 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172953558 808494523 /nfs/dbraw/zinc/49/45/23/808494523.db2.gz PTTRRAOJDUWZNQ-DLBZAZTESA-N 2 1 282.472 3.140 20 0 CGADMP CCCOC1CCC([N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001173099645 808509952 /nfs/dbraw/zinc/50/99/52/808509952.db2.gz NINPJTNXCOIRNO-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCc2ccncc2)CC1 ZINC001173111543 808513522 /nfs/dbraw/zinc/51/35/22/808513522.db2.gz GZWUGSHBASLVLJ-UHFFFAOYSA-N 2 1 289.467 3.209 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173257510 808563847 /nfs/dbraw/zinc/56/38/47/808563847.db2.gz ARVHLCOXVZUOBT-IXDOHACOSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)C1 ZINC001173278731 808581620 /nfs/dbraw/zinc/58/16/20/808581620.db2.gz ZRFQNBBEFGXWIZ-XUWVNRHRSA-N 2 1 252.446 3.274 20 0 CGADMP CCSC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001173290707 808591488 /nfs/dbraw/zinc/59/14/88/808591488.db2.gz FQKRMMONJIDLOM-WBVHZDCISA-N 2 1 292.492 3.240 20 0 CGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173685934 808663870 /nfs/dbraw/zinc/66/38/70/808663870.db2.gz IDEMALJBTQWRHT-VQSBYGRUSA-N 2 1 298.474 3.355 20 0 CGADMP COCCCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001274987515 808896189 /nfs/dbraw/zinc/89/61/89/808896189.db2.gz CUMHMEPDTLRRQR-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP CCCC[N@H+]1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001275117773 808912671 /nfs/dbraw/zinc/91/26/71/808912671.db2.gz MJLYNTINEUVRLV-QGZVFWFLSA-N 2 1 275.440 3.103 20 0 CGADMP CCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275117773 808912680 /nfs/dbraw/zinc/91/26/80/808912680.db2.gz MJLYNTINEUVRLV-QGZVFWFLSA-N 2 1 275.440 3.103 20 0 CGADMP CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275117773 808912689 /nfs/dbraw/zinc/91/26/89/808912689.db2.gz MJLYNTINEUVRLV-QGZVFWFLSA-N 2 1 275.440 3.103 20 0 CGADMP CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275117773 808912695 /nfs/dbraw/zinc/91/26/95/808912695.db2.gz MJLYNTINEUVRLV-QGZVFWFLSA-N 2 1 275.440 3.103 20 0 CGADMP CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275117773 808912700 /nfs/dbraw/zinc/91/27/00/808912700.db2.gz MJLYNTINEUVRLV-QGZVFWFLSA-N 2 1 275.440 3.103 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3c(c1)CCC3)CC2 ZINC001275199489 808921040 /nfs/dbraw/zinc/92/10/40/808921040.db2.gz MPHVBBXECIJCDZ-UHFFFAOYSA-N 2 1 284.447 3.093 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3nc4ccccc4o3)CC2)C1 ZINC001275502613 808942614 /nfs/dbraw/zinc/94/26/14/808942614.db2.gz FGBZUHDWWSIDJD-UHFFFAOYSA-N 2 1 299.418 3.136 20 0 CGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)cc1F ZINC001275565384 808948601 /nfs/dbraw/zinc/94/86/01/808948601.db2.gz BZNZSVZLCVCNIQ-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)cc1F ZINC001275565384 808948608 /nfs/dbraw/zinc/94/86/08/808948608.db2.gz BZNZSVZLCVCNIQ-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)cc1F ZINC001275565384 808948614 /nfs/dbraw/zinc/94/86/14/808948614.db2.gz BZNZSVZLCVCNIQ-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc3occc3c1)C2 ZINC001275660356 808956325 /nfs/dbraw/zinc/95/63/25/808956325.db2.gz NPTIRZHRFRASLM-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3occc3c1)C2 ZINC001275660356 808956334 /nfs/dbraw/zinc/95/63/34/808956334.db2.gz NPTIRZHRFRASLM-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3occc3c1)C2 ZINC001275660356 808956340 /nfs/dbraw/zinc/95/63/40/808956340.db2.gz NPTIRZHRFRASLM-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275835071 808969676 /nfs/dbraw/zinc/96/96/76/808969676.db2.gz LBNGZJDAWFIKKL-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275835071 808969679 /nfs/dbraw/zinc/96/96/79/808969679.db2.gz LBNGZJDAWFIKKL-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001275835071 808969680 /nfs/dbraw/zinc/96/96/80/808969680.db2.gz LBNGZJDAWFIKKL-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001275835071 808969683 /nfs/dbraw/zinc/96/96/83/808969683.db2.gz LBNGZJDAWFIKKL-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccs3)CC2)C1 ZINC001275858222 808970519 /nfs/dbraw/zinc/97/05/19/808970519.db2.gz UBZWIFLSOWGCAP-UHFFFAOYSA-N 2 1 264.438 3.056 20 0 CGADMP c1cncc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275886146 808974127 /nfs/dbraw/zinc/97/41/27/808974127.db2.gz VHOSGTUKQSEKFM-HDICACEKSA-N 2 1 299.462 3.168 20 0 CGADMP c1cncc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275886146 808974131 /nfs/dbraw/zinc/97/41/31/808974131.db2.gz VHOSGTUKQSEKFM-HDICACEKSA-N 2 1 299.462 3.168 20 0 CGADMP c1cncc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001275886146 808974135 /nfs/dbraw/zinc/97/41/35/808974135.db2.gz VHOSGTUKQSEKFM-HDICACEKSA-N 2 1 299.462 3.168 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(N2CCCC2)c1 ZINC001276158395 808990732 /nfs/dbraw/zinc/99/07/32/808990732.db2.gz SNXQWUVYAWRALR-JLYLLQBASA-N 2 1 299.462 3.002 20 0 CGADMP Cc1c(F)cccc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276169697 808991209 /nfs/dbraw/zinc/99/12/09/808991209.db2.gz BJEABCSOFSZPQO-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3[nH]ccc3c1)C2 ZINC001276244055 808995719 /nfs/dbraw/zinc/99/57/19/808995719.db2.gz OUODJNRLLQJLQJ-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[N@H+]1CCC2(C1)CCN(Cc1cccc(Cl)c1F)CC2 ZINC001276377576 809005137 /nfs/dbraw/zinc/00/51/37/809005137.db2.gz MXGYGYFPYXRWSX-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1F)CC2 ZINC001276377576 809005144 /nfs/dbraw/zinc/00/51/44/809005144.db2.gz MXGYGYFPYXRWSX-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1F)CC2 ZINC001276377576 809005151 /nfs/dbraw/zinc/00/51/51/809005151.db2.gz MXGYGYFPYXRWSX-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1nccc3ccccc31)C2 ZINC001276611114 809021154 /nfs/dbraw/zinc/02/11/54/809021154.db2.gz YJCSBNZSYSEUJS-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1nccc3ccccc31)C2 ZINC001276611114 809021178 /nfs/dbraw/zinc/02/11/78/809021178.db2.gz YJCSBNZSYSEUJS-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1nccc3ccccc31)C2 ZINC001276611114 809021185 /nfs/dbraw/zinc/02/11/85/809021185.db2.gz YJCSBNZSYSEUJS-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP Cc1cccc(CC[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276739363 809027844 /nfs/dbraw/zinc/02/78/44/809027844.db2.gz ROMKGRLBNAHQQG-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276739363 809027848 /nfs/dbraw/zinc/02/78/48/809027848.db2.gz ROMKGRLBNAHQQG-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CC[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276739363 809027856 /nfs/dbraw/zinc/02/78/56/809027856.db2.gz ROMKGRLBNAHQQG-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c2ccoc21 ZINC001276819233 809033513 /nfs/dbraw/zinc/03/35/13/809033513.db2.gz QOZPFGXYGVMAEY-AGUYFDCRSA-N 2 1 288.366 3.287 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c2ccoc21 ZINC001276819233 809033519 /nfs/dbraw/zinc/03/35/19/809033519.db2.gz QOZPFGXYGVMAEY-AGUYFDCRSA-N 2 1 288.366 3.287 20 0 CGADMP Cc1ccc(O)cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277544914 809079702 /nfs/dbraw/zinc/07/97/02/809079702.db2.gz CDGPPPSJNQUYCX-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(O)cc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001277544914 809079709 /nfs/dbraw/zinc/07/97/09/809079709.db2.gz CDGPPPSJNQUYCX-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(O)cc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277544914 809079713 /nfs/dbraw/zinc/07/97/13/809079713.db2.gz CDGPPPSJNQUYCX-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1ccc(O)cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277544914 809079719 /nfs/dbraw/zinc/07/97/19/809079719.db2.gz CDGPPPSJNQUYCX-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP CCOCC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277859375 809102057 /nfs/dbraw/zinc/10/20/57/809102057.db2.gz XUVCZDMXOOQZAI-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP c1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](C2CCCC2)CC3)c1 ZINC001277930926 809105881 /nfs/dbraw/zinc/10/58/81/809105881.db2.gz WVGUNFZWTCLOJK-UHFFFAOYSA-N 2 1 287.451 3.245 20 0 CGADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CCO1 ZINC001174933000 809204911 /nfs/dbraw/zinc/20/49/11/809204911.db2.gz IELLCPFZUCXZRA-IRXDYDNUSA-N 2 1 296.499 3.245 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001175070312 809259399 /nfs/dbraw/zinc/25/93/99/809259399.db2.gz QDHIFTLNAWWVHQ-KZNAEPCWSA-N 2 1 272.436 3.411 20 0 CGADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC[C@@H](C)C1 ZINC001175203474 809307382 /nfs/dbraw/zinc/30/73/82/809307382.db2.gz OQHFUBRKWMOSIA-AEFFLSMTSA-N 2 1 296.499 3.103 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2[C@@H]2CCO[C@H](C)C2)CC1 ZINC001175352718 809373744 /nfs/dbraw/zinc/37/37/44/809373744.db2.gz RBAPJJRWLPWCTO-FGTMMUONSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=CCC[N@H+](C)C2)c(C)c1 ZINC001175580760 809461081 /nfs/dbraw/zinc/46/10/81/809461081.db2.gz SCPJTFSHGLKUSF-UHFFFAOYSA-N 2 1 273.424 3.473 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=CCC[N@@H+](C)C2)c(C)c1 ZINC001175580760 809461083 /nfs/dbraw/zinc/46/10/83/809461083.db2.gz SCPJTFSHGLKUSF-UHFFFAOYSA-N 2 1 273.424 3.473 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001178934857 809894760 /nfs/dbraw/zinc/89/47/60/809894760.db2.gz SGGWEKIANDQXKK-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC001178934857 809894765 /nfs/dbraw/zinc/89/47/65/809894765.db2.gz SGGWEKIANDQXKK-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001179817666 809948311 /nfs/dbraw/zinc/94/83/11/809948311.db2.gz RFGXLVVEAQEMNM-OKZBNKHCSA-N 2 1 272.436 3.240 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC001180072268 809970608 /nfs/dbraw/zinc/97/06/08/809970608.db2.gz PDTXWJHWSCITOT-INIZCTEOSA-N 2 1 274.452 3.454 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC001182152666 810096265 /nfs/dbraw/zinc/09/62/65/810096265.db2.gz QWEBJJDTPOLNPQ-ARFHVFGLSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC001182152666 810096268 /nfs/dbraw/zinc/09/62/68/810096268.db2.gz QWEBJJDTPOLNPQ-ARFHVFGLSA-N 2 1 270.461 3.044 20 0 CGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201486582 811861698 /nfs/dbraw/zinc/86/16/98/811861698.db2.gz KDSKLEPYCVCTTJ-OKZBNKHCSA-N 2 1 294.483 3.021 20 0 CGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201486582 811861705 /nfs/dbraw/zinc/86/17/05/811861705.db2.gz KDSKLEPYCVCTTJ-OKZBNKHCSA-N 2 1 294.483 3.021 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201486582 811861709 /nfs/dbraw/zinc/86/17/09/811861709.db2.gz KDSKLEPYCVCTTJ-OKZBNKHCSA-N 2 1 294.483 3.021 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201486582 811861716 /nfs/dbraw/zinc/86/17/16/811861716.db2.gz KDSKLEPYCVCTTJ-OKZBNKHCSA-N 2 1 294.483 3.021 20 0 CGADMP CC[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001201580149 811911645 /nfs/dbraw/zinc/91/16/45/811911645.db2.gz BYIKGRPIXKOZPJ-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP FC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001201603109 811918383 /nfs/dbraw/zinc/91/83/83/811918383.db2.gz CDAPMCDPZJSUKP-UHFFFAOYSA-N 2 1 290.426 3.127 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC001203918160 812490539 /nfs/dbraw/zinc/49/05/39/812490539.db2.gz RBGLPGOPIXOPLK-DOMZBBRYSA-N 2 1 264.388 3.349 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC001203918160 812490543 /nfs/dbraw/zinc/49/05/43/812490543.db2.gz RBGLPGOPIXOPLK-DOMZBBRYSA-N 2 1 264.388 3.349 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC001203918161 812491726 /nfs/dbraw/zinc/49/17/26/812491726.db2.gz RBGLPGOPIXOPLK-IUODEOHRSA-N 2 1 264.388 3.349 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC001203918161 812491731 /nfs/dbraw/zinc/49/17/31/812491731.db2.gz RBGLPGOPIXOPLK-IUODEOHRSA-N 2 1 264.388 3.349 20 0 CGADMP CCC[N@H+](Cc1cc2c(s1)C[NH2+]CC2)CC1CC1 ZINC001204598056 812685469 /nfs/dbraw/zinc/68/54/69/812685469.db2.gz FWPINERIQLOORR-UHFFFAOYSA-N 2 1 264.438 3.016 20 0 CGADMP CCCC[N@@H+](CC)Cc1cc2c(s1)C[NH2+]CC2 ZINC001204611491 812690130 /nfs/dbraw/zinc/69/01/30/812690130.db2.gz OMQHZVUBCRNTEI-UHFFFAOYSA-N 2 1 252.427 3.016 20 0 CGADMP CCC[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@H](C)CC ZINC001204630724 812695413 /nfs/dbraw/zinc/69/54/13/812695413.db2.gz SFPBQUJWXRJKMS-MRXNPFEDSA-N 2 1 289.467 3.107 20 0 CGADMP c1ccc(CCc2ccccc2C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204684761 812708384 /nfs/dbraw/zinc/70/83/84/812708384.db2.gz LSGAOFZGHAWEPL-UHFFFAOYSA-N 2 1 294.442 3.267 20 0 CGADMP c1ccc(CCc2ccccc2C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204684761 812708387 /nfs/dbraw/zinc/70/83/87/812708387.db2.gz LSGAOFZGHAWEPL-UHFFFAOYSA-N 2 1 294.442 3.267 20 0 CGADMP CC(C)(C)[NH2+]Cc1ccc(-n2c[nH+]c3cccc(N)c32)cc1 ZINC001204690790 812710098 /nfs/dbraw/zinc/71/00/98/812710098.db2.gz IOSBICOSQRHPGE-UHFFFAOYSA-N 2 1 294.402 3.496 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741949 812722523 /nfs/dbraw/zinc/72/25/23/812722523.db2.gz GQYZQPQHTUZRAI-UHFFFAOYSA-N 2 1 290.426 3.408 20 0 CGADMP CSc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742731 812724478 /nfs/dbraw/zinc/72/44/78/812724478.db2.gz RVIMGCOOVSODLK-UHFFFAOYSA-N 2 1 290.476 3.374 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204763901 812729126 /nfs/dbraw/zinc/72/91/26/812729126.db2.gz RQTPGRPGMAAXPI-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@@]1([NH3+])CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204763901 812729130 /nfs/dbraw/zinc/72/91/30/812729130.db2.gz RQTPGRPGMAAXPI-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@]1([NH3+])CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001204763400 812729787 /nfs/dbraw/zinc/72/97/87/812729787.db2.gz IWITWLDTZROSHQ-AWEZNQCLSA-N 2 1 287.234 3.349 20 0 CGADMP C[C@]1([NH3+])CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001204763400 812729793 /nfs/dbraw/zinc/72/97/93/812729793.db2.gz IWITWLDTZROSHQ-AWEZNQCLSA-N 2 1 287.234 3.349 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204782283 812734756 /nfs/dbraw/zinc/73/47/56/812734756.db2.gz CLTFNLCKUNVHGT-GOSISDBHSA-N 2 1 266.388 3.277 20 0 CGADMP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204782283 812734765 /nfs/dbraw/zinc/73/47/65/812734765.db2.gz CLTFNLCKUNVHGT-GOSISDBHSA-N 2 1 266.388 3.277 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c2ccccc12 ZINC001204939439 812787878 /nfs/dbraw/zinc/78/78/78/812787878.db2.gz RHNYKUPVJPKCGA-GOSISDBHSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)c2ccccc12 ZINC001204939439 812787884 /nfs/dbraw/zinc/78/78/84/812787884.db2.gz RHNYKUPVJPKCGA-GOSISDBHSA-N 2 1 268.404 3.461 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001204939815 812788102 /nfs/dbraw/zinc/78/81/02/812788102.db2.gz UIZFKNANNOTNAN-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001204939815 812788109 /nfs/dbraw/zinc/78/81/09/812788109.db2.gz UIZFKNANNOTNAN-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205064079 812842555 /nfs/dbraw/zinc/84/25/55/812842555.db2.gz GQVPNFMNNBAMIU-ZFWWWQNUSA-N 2 1 284.403 3.160 20 0 CGADMP COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205064079 812842566 /nfs/dbraw/zinc/84/25/66/812842566.db2.gz GQVPNFMNNBAMIU-ZFWWWQNUSA-N 2 1 284.403 3.160 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001205095047 812862400 /nfs/dbraw/zinc/86/24/00/812862400.db2.gz UFPZSFMHQAHLFD-GFCCVEGCSA-N 2 1 290.304 3.158 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001205095047 812862411 /nfs/dbraw/zinc/86/24/11/812862411.db2.gz UFPZSFMHQAHLFD-GFCCVEGCSA-N 2 1 290.304 3.158 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205101668 812865207 /nfs/dbraw/zinc/86/52/07/812865207.db2.gz IRRDKEJZZMZEAI-LBPRGKRZSA-N 2 1 252.427 3.014 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001205102119 812867122 /nfs/dbraw/zinc/86/71/22/812867122.db2.gz OUPWBLVRZRKYET-CYBMUJFWSA-N 2 1 277.799 3.135 20 0 CGADMP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109183 812869522 /nfs/dbraw/zinc/86/95/22/812869522.db2.gz CBCNCHIMIJGOTB-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109183 812869535 /nfs/dbraw/zinc/86/95/35/812869535.db2.gz CBCNCHIMIJGOTB-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001205109663 812870638 /nfs/dbraw/zinc/87/06/38/812870638.db2.gz IVHVYCOKTHJXSE-INIZCTEOSA-N 2 1 299.393 3.201 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(C)c1Cl ZINC001205124300 812876838 /nfs/dbraw/zinc/87/68/38/812876838.db2.gz NSMJEZKXYRPRRG-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)o1 ZINC001205145781 812886474 /nfs/dbraw/zinc/88/64/74/812886474.db2.gz GQCXNBVNUBQSHU-SUMWQHHRSA-N 2 1 284.403 3.282 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255471 812919577 /nfs/dbraw/zinc/91/95/77/812919577.db2.gz JCOAYWDDVAUPQP-WBVHZDCISA-N 2 1 284.488 3.157 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001205263498 812920334 /nfs/dbraw/zinc/92/03/34/812920334.db2.gz AAPZUKAVNPAOQN-CQSZACIVSA-N 2 1 286.341 3.409 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1CC ZINC001205273063 812924467 /nfs/dbraw/zinc/92/44/67/812924467.db2.gz DEDMIVBXEYORLN-SFHVURJKSA-N 2 1 290.451 3.351 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(C)c1Cl ZINC001205315789 812949435 /nfs/dbraw/zinc/94/94/35/812949435.db2.gz GYLLOMOXXHPYEU-XHDPSFHLSA-N 2 1 280.843 3.374 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205331209 812958989 /nfs/dbraw/zinc/95/89/89/812958989.db2.gz FWRPWFXVNLQUPH-OAHLLOKOSA-N 2 1 260.425 3.213 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205331209 812958992 /nfs/dbraw/zinc/95/89/92/812958992.db2.gz FWRPWFXVNLQUPH-OAHLLOKOSA-N 2 1 260.425 3.213 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c[nH]c2c1 ZINC001205545382 812999448 /nfs/dbraw/zinc/99/94/48/812999448.db2.gz FXSXLYDZKOTSHS-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(C)c1 ZINC001205545657 812999602 /nfs/dbraw/zinc/99/96/02/812999602.db2.gz LGNCRKGFDRBWRV-KRWDZBQOSA-N 2 1 278.415 3.265 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC001205546463 812999892 /nfs/dbraw/zinc/99/98/92/812999892.db2.gz VVVLJYHXJSNVRI-GOSISDBHSA-N 2 1 286.394 3.493 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@](F)(C[NH3+])CC2)o1 ZINC001205545649 813000429 /nfs/dbraw/zinc/00/04/29/813000429.db2.gz LDBRTWBFINAZFI-CZUORRHYSA-N 2 1 282.403 3.235 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)s1 ZINC001205558834 813003020 /nfs/dbraw/zinc/00/30/20/813003020.db2.gz JTFMOXBMKKHXNF-OAHLLOKOSA-N 2 1 284.444 3.354 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c3ccoc3ccc2F)CC1 ZINC001205591711 813014680 /nfs/dbraw/zinc/01/46/80/813014680.db2.gz OESLPCKHFKTEGI-MRXNPFEDSA-N 2 1 294.345 3.225 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1C[NH3+] ZINC001205599987 813018519 /nfs/dbraw/zinc/01/85/19/813018519.db2.gz AWLQUYUFMNWBIT-JSGCOSHPSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)CC[C@@H]1C[NH3+] ZINC001205603265 813019826 /nfs/dbraw/zinc/01/98/26/813019826.db2.gz NWLDBEHPKYLSKH-LSDHHAIUSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(C)c1 ZINC001205603373 813020042 /nfs/dbraw/zinc/02/00/42/813020042.db2.gz OTSCPHUEWSYQBP-YOEHRIQHSA-N 2 1 274.452 3.419 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205604801 813021931 /nfs/dbraw/zinc/02/19/31/813021931.db2.gz XFMHTVBJZVJLJK-JKSUJKDBSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(C)s1 ZINC001205615778 813026028 /nfs/dbraw/zinc/02/60/28/813026028.db2.gz AZBOWZBHEJLPSN-BXUZGUMPSA-N 2 1 266.454 3.172 20 0 CGADMP COc1c(C)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205618065 813028122 /nfs/dbraw/zinc/02/81/22/813028122.db2.gz RDGKJBSYJNOJIV-SUMWQHHRSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c3ccccc23)CC[C@@H]1C[NH3+] ZINC001205617700 813029134 /nfs/dbraw/zinc/02/91/34/813029134.db2.gz MNBRQQSIXDTATH-HUUCEWRRSA-N 2 1 298.430 3.352 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205618522 813029223 /nfs/dbraw/zinc/02/92/23/813029223.db2.gz WVQKGUWBXGREBV-GXTWGEPZSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)c3ccccc23)CC[C@@H]1C[NH3+] ZINC001205617701 813029872 /nfs/dbraw/zinc/02/98/72/813029872.db2.gz MNBRQQSIXDTATH-LSDHHAIUSA-N 2 1 298.430 3.352 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205629437 813033823 /nfs/dbraw/zinc/03/38/23/813033823.db2.gz YWCHQPIXLOSQKT-GXTWGEPZSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)CC[C@@H]1C[NH3+] ZINC001205637712 813035441 /nfs/dbraw/zinc/03/54/41/813035441.db2.gz IIALYGLWDJETRP-GHMZBOCLSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccnc(C(C)(C)C)c2)CC[C@H]1C[NH3+] ZINC001205636865 813035674 /nfs/dbraw/zinc/03/56/74/813035674.db2.gz FQEYVIDFIJFMQQ-HOCLYGCPSA-N 2 1 289.467 3.186 20 0 CGADMP CCOc1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205653306 813041647 /nfs/dbraw/zinc/04/16/47/813041647.db2.gz SPARGWWDTVVMPC-ZFWWWQNUSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)nc1C ZINC001205654485 813044450 /nfs/dbraw/zinc/04/44/50/813044450.db2.gz WZZLPFSGEYTQGN-RISCZKNCSA-N 2 1 295.858 3.159 20 0 CGADMP C[C@H]1CCCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001205662908 813045360 /nfs/dbraw/zinc/04/53/60/813045360.db2.gz FHYSZGBDZBLVLQ-HNNXBMFYSA-N 2 1 297.446 3.367 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc3cc[nH]c32)CC[C@@H]1C[NH3+] ZINC001205665793 813048388 /nfs/dbraw/zinc/04/83/88/813048388.db2.gz VKKXZQSXYOVCAS-GXTWGEPZSA-N 2 1 289.398 3.114 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205780095 813074681 /nfs/dbraw/zinc/07/46/81/813074681.db2.gz ONORHQDCNRAZFP-HNNXBMFYSA-N 2 1 296.405 3.400 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205780095 813074687 /nfs/dbraw/zinc/07/46/87/813074687.db2.gz ONORHQDCNRAZFP-HNNXBMFYSA-N 2 1 296.405 3.400 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2C2CC2)C1 ZINC001205816341 813095292 /nfs/dbraw/zinc/09/52/92/813095292.db2.gz MBSWIBCGHPZLLP-BBRMVZONSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001205816341 813095300 /nfs/dbraw/zinc/09/53/00/813095300.db2.gz MBSWIBCGHPZLLP-BBRMVZONSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC001205901101 813122336 /nfs/dbraw/zinc/12/23/36/813122336.db2.gz BHCBFTWRROSRRU-KSSFIOAISA-N 2 1 268.404 3.399 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001205901726 813123142 /nfs/dbraw/zinc/12/31/42/813123142.db2.gz FSAXXNJOPQNMNN-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c2c1 ZINC001205904220 813126168 /nfs/dbraw/zinc/12/61/68/813126168.db2.gz TUMVHMSNBDTKJN-KBPBESRZSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205905201 813128025 /nfs/dbraw/zinc/12/80/25/813128025.db2.gz ZIQHLKPYZKUDND-STQMWFEESA-N 2 1 289.398 3.175 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(O)cc2ccccc21 ZINC001205913509 813129424 /nfs/dbraw/zinc/12/94/24/813129424.db2.gz IWXLSZCXHABANW-UKRRQHHQSA-N 2 1 284.403 3.105 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205912871 813130042 /nfs/dbraw/zinc/13/00/42/813130042.db2.gz DJHRKVGJEVWVRE-PBHICJAKSA-N 2 1 260.425 3.198 20 0 CGADMP Cc1nc2cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)ccc2s1 ZINC001205914740 813130594 /nfs/dbraw/zinc/13/05/94/813130594.db2.gz NDFJMZDZHKZXTC-FZMZJTMJSA-N 2 1 289.448 3.164 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205980814 813151443 /nfs/dbraw/zinc/15/14/43/813151443.db2.gz AFQACISXHWIXJX-AEFFLSMTSA-N 2 1 274.452 3.316 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205993144 813155337 /nfs/dbraw/zinc/15/53/37/813155337.db2.gz HKMZOJUHAMQBOV-DZGCQCFKSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCC[C@H]1C[NH3+] ZINC001205992084 813155369 /nfs/dbraw/zinc/15/53/69/813155369.db2.gz DIVMNSATVBLYHD-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205995788 813156698 /nfs/dbraw/zinc/15/66/98/813156698.db2.gz QKSZVMBTGXDYHJ-IUODEOHRSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[C@H]1C[NH3+] ZINC001205996145 813157202 /nfs/dbraw/zinc/15/72/02/813157202.db2.gz VELZCUFUYRUVJW-OCCSQVGLSA-N 2 1 266.816 3.147 20 0 CGADMP C[C@H]1C[N@@H+](Cc2coc3ccc(F)cc23)CCC[C@@H]1C[NH3+] ZINC001206003612 813161381 /nfs/dbraw/zinc/16/13/81/813161381.db2.gz KFGUACNXXWFXNR-QWHCGFSZSA-N 2 1 290.382 3.379 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC001206013049 813165567 /nfs/dbraw/zinc/16/55/67/813165567.db2.gz OYVJLHPASSDEMM-SJORKVTESA-N 2 1 274.452 3.419 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(F)c1F ZINC001206015040 813166468 /nfs/dbraw/zinc/16/64/68/813166468.db2.gz ZRQUEJAKMXMIMA-GXTWGEPZSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)o2)CCC[C@@H]1C[NH3+] ZINC001206015047 813166528 /nfs/dbraw/zinc/16/65/28/813166528.db2.gz ZSBPMHFEKMVYHG-WDEREUQCSA-N 2 1 290.329 3.105 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206023836 813168619 /nfs/dbraw/zinc/16/86/19/813168619.db2.gz GUJLVHDYHJLQEH-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206024118 813168941 /nfs/dbraw/zinc/16/89/41/813168941.db2.gz HVIPBHOIIPUOPG-ZIAGYGMSSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206036118 813175251 /nfs/dbraw/zinc/17/52/51/813175251.db2.gz GTMMFSKCZASZAW-UONOGXRCSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1)CC(C)(C)C ZINC001206154246 813217195 /nfs/dbraw/zinc/21/71/95/813217195.db2.gz HWAMHSLLSXCVGC-MCIONIFRSA-N 2 1 258.425 3.210 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1)CC(C)(C)C ZINC001206154246 813217200 /nfs/dbraw/zinc/21/72/00/813217200.db2.gz HWAMHSLLSXCVGC-MCIONIFRSA-N 2 1 258.425 3.210 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3ccc(Cl)cc23)CC[C@@H]1F ZINC001206165797 813221995 /nfs/dbraw/zinc/22/19/95/813221995.db2.gz OUWJAJWLMNOVCS-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC[C@@H]1F ZINC001206165797 813221998 /nfs/dbraw/zinc/22/19/98/813221998.db2.gz OUWJAJWLMNOVCS-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2csc3ccccc23)CC[C@@H]1F ZINC001206174080 813226804 /nfs/dbraw/zinc/22/68/04/813226804.db2.gz LVGAPIJHEBHISO-UONOGXRCSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)CC[C@H]1F ZINC001206200977 813237042 /nfs/dbraw/zinc/23/70/42/813237042.db2.gz UWDDJFQSBQQPSL-IAGOWNOFSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC[C@H]1F ZINC001206200977 813237049 /nfs/dbraw/zinc/23/70/49/813237049.db2.gz UWDDJFQSBQQPSL-IAGOWNOFSA-N 2 1 299.393 3.010 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206278087 813268548 /nfs/dbraw/zinc/26/85/48/813268548.db2.gz YHHSACLLBAJNBL-LBPRGKRZSA-N 2 1 274.433 3.251 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206278087 813268551 /nfs/dbraw/zinc/26/85/51/813268551.db2.gz YHHSACLLBAJNBL-LBPRGKRZSA-N 2 1 274.433 3.251 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001206287372 813272547 /nfs/dbraw/zinc/27/25/47/813272547.db2.gz ZJJHICSJNYEFMI-ZDUSSCGKSA-N 2 1 272.367 3.020 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001206287372 813272552 /nfs/dbraw/zinc/27/25/52/813272552.db2.gz ZJJHICSJNYEFMI-ZDUSSCGKSA-N 2 1 272.367 3.020 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)s1 ZINC001206292800 813275429 /nfs/dbraw/zinc/27/54/29/813275429.db2.gz DOVWFUZMGQOKMC-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1F ZINC001206303146 813279185 /nfs/dbraw/zinc/27/91/85/813279185.db2.gz BSODSBXQGZOQJH-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206304447 813280267 /nfs/dbraw/zinc/28/02/67/813280267.db2.gz KVKNSMFACFCDSZ-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206305115 813281388 /nfs/dbraw/zinc/28/13/88/813281388.db2.gz UAPIGLYCNKASNE-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001206305246 813281996 /nfs/dbraw/zinc/28/19/96/813281996.db2.gz XBVCXKFENYCLFH-SFHVURJKSA-N 2 1 299.418 3.293 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(C)c1 ZINC001206310932 813284777 /nfs/dbraw/zinc/28/47/77/813284777.db2.gz FQGDUSYRKYVWEJ-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP CSc1cc(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206317224 813286646 /nfs/dbraw/zinc/28/66/46/813286646.db2.gz DCTAGVSEDVGONB-INIZCTEOSA-N 2 1 293.480 3.063 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206335509 813293689 /nfs/dbraw/zinc/29/36/89/813293689.db2.gz FNUKLWPXROJKID-GOSISDBHSA-N 2 1 290.451 3.345 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001206542198 813344992 /nfs/dbraw/zinc/34/49/92/813344992.db2.gz URPFVLBXNGESIF-ULQDDVLXSA-N 2 1 264.457 3.430 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2sccc2Cl)C1 ZINC001206548119 813347371 /nfs/dbraw/zinc/34/73/71/813347371.db2.gz GZEMNDLOCRNPIW-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2sccc2Cl)C1 ZINC001206548119 813347373 /nfs/dbraw/zinc/34/73/73/813347373.db2.gz GZEMNDLOCRNPIW-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC001206549875 813347849 /nfs/dbraw/zinc/34/78/49/813347849.db2.gz ROGZHXATWJMQFP-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1C ZINC001206549808 813349945 /nfs/dbraw/zinc/34/99/45/813349945.db2.gz PZDQFLSATUTXLI-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc(F)c1F ZINC001206556664 813351876 /nfs/dbraw/zinc/35/18/76/813351876.db2.gz UZGOUDFBDNJQMB-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc(F)c1F ZINC001206556664 813351883 /nfs/dbraw/zinc/35/18/83/813351883.db2.gz UZGOUDFBDNJQMB-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP CC(C)[N@@H+](CCc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206580560 813362571 /nfs/dbraw/zinc/36/25/71/813362571.db2.gz DZVWWDZCNFZWKZ-QGZVFWFLSA-N 2 1 296.405 3.360 20 0 CGADMP Cc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)s1 ZINC001206583415 813364481 /nfs/dbraw/zinc/36/44/81/813364481.db2.gz UMBZDPHJCWTOPK-AWEZNQCLSA-N 2 1 266.454 3.409 20 0 CGADMP COc1cc(F)ccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206591891 813366660 /nfs/dbraw/zinc/36/66/60/813366660.db2.gz XCOAHPNZFUPOAE-INIZCTEOSA-N 2 1 294.414 3.187 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCc1ccc(F)cc1Cl ZINC001206760888 813426434 /nfs/dbraw/zinc/42/64/34/813426434.db2.gz NCYVYIWWUMEWLS-NEPJUHHUSA-N 2 1 284.806 3.081 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001207274223 813528135 /nfs/dbraw/zinc/52/81/35/813528135.db2.gz AIGILCMWKXPFCX-UHFFFAOYSA-N 2 1 290.451 3.118 20 0 CGADMP FC[C@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207295668 813538370 /nfs/dbraw/zinc/53/83/70/813538370.db2.gz YRLPKMQJUAKXLR-GOSISDBHSA-N 2 1 290.426 3.333 20 0 CGADMP C[NH+]1CCC(C[N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001207399813 813556542 /nfs/dbraw/zinc/55/65/42/813556542.db2.gz UREJQKGPCKZVAO-UHFFFAOYSA-N 2 1 272.436 3.122 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001207399037 813556675 /nfs/dbraw/zinc/55/66/75/813556675.db2.gz WFTUTBNGXSQPLU-MRXNPFEDSA-N 2 1 292.854 3.471 20 0 CGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC1CC[NH2+]CC1 ZINC001207439637 813566023 /nfs/dbraw/zinc/56/60/23/813566023.db2.gz WQBGHEQJWXFYFD-IAGOWNOFSA-N 2 1 282.472 3.249 20 0 CGADMP Cc1ccccc1C[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207484770 813572723 /nfs/dbraw/zinc/57/27/23/813572723.db2.gz SAKJPYJDLAPLTN-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001207487138 813574217 /nfs/dbraw/zinc/57/42/17/813574217.db2.gz QYLQYPACDBJDIX-KRWDZBQOSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)CCC2CC[NH+](C)CC2)CC1 ZINC001207489144 813574520 /nfs/dbraw/zinc/57/45/20/813574520.db2.gz UWKIKOWBGFAIFG-KOMQPUFPSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@@H+](CCCc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208107574 813693957 /nfs/dbraw/zinc/69/39/57/813693957.db2.gz WHMMUVZSKDFRQE-UHFFFAOYSA-N 2 1 274.452 3.283 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208109054 813694651 /nfs/dbraw/zinc/69/46/51/813694651.db2.gz KWSMCWDLCVHNPT-HNNXBMFYSA-N 2 1 272.436 3.165 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001208109265 813694893 /nfs/dbraw/zinc/69/48/93/813694893.db2.gz MMOLOFDRFVYZBJ-INIZCTEOSA-N 2 1 290.426 3.347 20 0 CGADMP Cc1ccc(CC[N@H+](C)CC2(C)CC[NH+](C)CC2)cc1 ZINC001208113800 813695896 /nfs/dbraw/zinc/69/58/96/813695896.db2.gz PHMXRXUIHUEOAI-UHFFFAOYSA-N 2 1 274.452 3.201 20 0 CGADMP CC/C=C\CCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001208133251 813701931 /nfs/dbraw/zinc/70/19/31/813701931.db2.gz ATRABOSNSQHGHJ-PLNGDYQASA-N 2 1 294.483 3.308 20 0 CGADMP COCC[N@H+](C[C@H]1CCC(C)=C[C@H]1C)C1CC[NH+](C)CC1 ZINC001208177999 813729615 /nfs/dbraw/zinc/72/96/15/813729615.db2.gz UYHDOKMPSFHOHE-IAGOWNOFSA-N 2 1 294.483 3.021 20 0 CGADMP COCC[N@@H+](C[C@H]1CCC(C)=C[C@H]1C)C1CC[NH+](C)CC1 ZINC001208177999 813729620 /nfs/dbraw/zinc/72/96/20/813729620.db2.gz UYHDOKMPSFHOHE-IAGOWNOFSA-N 2 1 294.483 3.021 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001208181539 813732090 /nfs/dbraw/zinc/73/20/90/813732090.db2.gz NQWULJDCUSMCGK-YESZJQIVSA-N 2 1 262.441 3.006 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001208181539 813732096 /nfs/dbraw/zinc/73/20/96/813732096.db2.gz NQWULJDCUSMCGK-YESZJQIVSA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCCC3(CCC3)C2)CCCC1 ZINC001208187132 813734820 /nfs/dbraw/zinc/73/48/20/813734820.db2.gz HDUGMBPQQMSESI-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CCc4ccccc43)CC2)C1 ZINC001208606183 813770497 /nfs/dbraw/zinc/77/04/97/813770497.db2.gz FHJPOLSLJNOVBF-QGZVFWFLSA-N 2 1 298.474 3.308 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001208605509 813770643 /nfs/dbraw/zinc/77/06/43/813770643.db2.gz AYCUKADBRBOVOS-CZVCLPBNSA-N 2 1 276.468 3.229 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001208605509 813770646 /nfs/dbraw/zinc/77/06/46/813770646.db2.gz AYCUKADBRBOVOS-CZVCLPBNSA-N 2 1 276.468 3.229 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001208605509 813770649 /nfs/dbraw/zinc/77/06/49/813770649.db2.gz AYCUKADBRBOVOS-CZVCLPBNSA-N 2 1 276.468 3.229 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001208605509 813770654 /nfs/dbraw/zinc/77/06/54/813770654.db2.gz AYCUKADBRBOVOS-CZVCLPBNSA-N 2 1 276.468 3.229 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCc2cccc(C)c2)CC1 ZINC001208598745 813771358 /nfs/dbraw/zinc/77/13/58/813771358.db2.gz XABOVVDYYLICFY-UHFFFAOYSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cccc(C)c2)CC1 ZINC001208596014 813771837 /nfs/dbraw/zinc/77/18/37/813771837.db2.gz ZHKCYNRZFVYMPF-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608349 813774176 /nfs/dbraw/zinc/77/41/76/813774176.db2.gz HKOFYLSUDVOWGQ-HUUCEWRRSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608349 813774181 /nfs/dbraw/zinc/77/41/81/813774181.db2.gz HKOFYLSUDVOWGQ-HUUCEWRRSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608349 813774187 /nfs/dbraw/zinc/77/41/87/813774187.db2.gz HKOFYLSUDVOWGQ-HUUCEWRRSA-N 2 1 292.854 3.471 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CC=C(c3ccccc3)CC2)C1 ZINC001208617543 813776708 /nfs/dbraw/zinc/77/67/08/813776708.db2.gz PWIQCAMWTWCPFJ-INIZCTEOSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001208617543 813776714 /nfs/dbraw/zinc/77/67/14/813776714.db2.gz PWIQCAMWTWCPFJ-INIZCTEOSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001208617543 813776717 /nfs/dbraw/zinc/77/67/17/813776717.db2.gz PWIQCAMWTWCPFJ-INIZCTEOSA-N 2 1 270.420 3.118 20 0 CGADMP Cc1ncc2n1CCN(CCC(C)(C)c1ccccc1)C2 ZINC001208667767 813791399 /nfs/dbraw/zinc/79/13/99/813791399.db2.gz YVYAAERBIUAKSB-UHFFFAOYSA-N 2 1 283.419 3.375 20 0 CGADMP CC[N@@H+](C[C@H](C)OCc1ccccc1)C1CCN(C)CC1 ZINC001208701304 813804613 /nfs/dbraw/zinc/80/46/13/813804613.db2.gz WSJAESBSQWZNIA-INIZCTEOSA-N 2 1 290.451 3.008 20 0 CGADMP CC(C)CCC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208735667 813824134 /nfs/dbraw/zinc/82/41/34/813824134.db2.gz PUVHENAOXXJMEP-UHFFFAOYSA-N 2 1 254.462 3.475 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)C[C@@H](C)C(F)(F)F)CC1 ZINC001208902024 813892481 /nfs/dbraw/zinc/89/24/81/813892481.db2.gz PYICNSATWNMUPG-GFCCVEGCSA-N 2 1 280.378 3.381 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H](C)C(F)(F)F)CC1 ZINC001208902024 813892490 /nfs/dbraw/zinc/89/24/90/813892490.db2.gz PYICNSATWNMUPG-GFCCVEGCSA-N 2 1 280.378 3.381 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930420 813904562 /nfs/dbraw/zinc/90/45/62/813904562.db2.gz BDEWQYIMWPPXLI-KBAYOESNSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930420 813904565 /nfs/dbraw/zinc/90/45/65/813904565.db2.gz BDEWQYIMWPPXLI-KBAYOESNSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@@H](F)C[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930420 813904570 /nfs/dbraw/zinc/90/45/70/813904570.db2.gz BDEWQYIMWPPXLI-KBAYOESNSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[C@@H](F)C[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930420 813904574 /nfs/dbraw/zinc/90/45/74/813904574.db2.gz BDEWQYIMWPPXLI-KBAYOESNSA-N 2 1 290.426 3.331 20 0 CGADMP F[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208945921 813907422 /nfs/dbraw/zinc/90/74/22/813907422.db2.gz FPMXWXZDUWCNDT-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208945921 813907425 /nfs/dbraw/zinc/90/74/25/813907425.db2.gz FPMXWXZDUWCNDT-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208945921 813907426 /nfs/dbraw/zinc/90/74/26/813907426.db2.gz FPMXWXZDUWCNDT-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947437 813909103 /nfs/dbraw/zinc/90/91/03/813909103.db2.gz JZBORVBNBRDVPM-WMZOPIPTSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947437 813909107 /nfs/dbraw/zinc/90/91/07/813909107.db2.gz JZBORVBNBRDVPM-WMZOPIPTSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947437 813909115 /nfs/dbraw/zinc/90/91/15/813909115.db2.gz JZBORVBNBRDVPM-WMZOPIPTSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1cccc2c(C[N@@H+](C)CC3CC[NH+](C)CC3)c[nH]c21 ZINC001209490156 814058595 /nfs/dbraw/zinc/05/85/95/814058595.db2.gz KHJRLCPYYKKDHB-UHFFFAOYSA-N 2 1 285.435 3.250 20 0 CGADMP CC[C@H]([NH3+])C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC001210267627 814371877 /nfs/dbraw/zinc/37/18/77/814371877.db2.gz QXKIXKVGOCPRJM-HNNXBMFYSA-N 2 1 266.816 3.257 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC001210475839 814478758 /nfs/dbraw/zinc/47/87/58/814478758.db2.gz PZINGPDGSZXIRC-CQSZACIVSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC001210475839 814478763 /nfs/dbraw/zinc/47/87/63/814478763.db2.gz PZINGPDGSZXIRC-CQSZACIVSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)CC[NH2+]1 ZINC001210518285 814503938 /nfs/dbraw/zinc/50/39/38/814503938.db2.gz GCCYNENXWXXDBR-AWEZNQCLSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[NH2+]1 ZINC001210518285 814503944 /nfs/dbraw/zinc/50/39/44/814503944.db2.gz GCCYNENXWXXDBR-AWEZNQCLSA-N 2 1 258.409 3.138 20 0 CGADMP C[NH2+]Cc1ccc(Nc2[nH+]c3ccccc3n2C)cc1 ZINC001211127577 814754633 /nfs/dbraw/zinc/75/46/33/814754633.db2.gz OULOWPLACPXRPP-UHFFFAOYSA-N 2 1 266.348 3.036 20 0 CGADMP CNc1cc(Nc2ccc(-n3cc[nH+]c3C)cc2)cc[nH+]1 ZINC001216334566 815788252 /nfs/dbraw/zinc/78/82/52/815788252.db2.gz HVNVDJOFRDXMSC-UHFFFAOYSA-N 2 1 279.347 3.361 20 0 CGADMP CSc1ccccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242944440 823182833 /nfs/dbraw/zinc/18/28/33/823182833.db2.gz BOSMUPZUZSLBAC-UHFFFAOYSA-N 2 1 295.411 3.410 20 0 CGADMP CC1(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)CCCCC1 ZINC001222231401 816380245 /nfs/dbraw/zinc/38/02/45/816380245.db2.gz LTVYWMGBGATCAP-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231099 816380499 /nfs/dbraw/zinc/38/04/99/816380499.db2.gz JBLJOGHPAWTRNN-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264891 816390734 /nfs/dbraw/zinc/39/07/34/816390734.db2.gz KIXIRBHKMOCAEZ-KRWDZBQOSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264891 816390742 /nfs/dbraw/zinc/39/07/42/816390742.db2.gz KIXIRBHKMOCAEZ-KRWDZBQOSA-N 2 1 276.399 3.100 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222278033 816392840 /nfs/dbraw/zinc/39/28/40/816392840.db2.gz WFURUKWGRMPOIT-HYVNUMGLSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222278033 816392846 /nfs/dbraw/zinc/39/28/46/816392846.db2.gz WFURUKWGRMPOIT-HYVNUMGLSA-N 2 1 290.838 3.271 20 0 CGADMP Cc1c(F)cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222315524 816406087 /nfs/dbraw/zinc/40/60/87/816406087.db2.gz ODNHTMMCVJTTPW-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222315524 816406091 /nfs/dbraw/zinc/40/60/91/816406091.db2.gz ODNHTMMCVJTTPW-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344837 816414079 /nfs/dbraw/zinc/41/40/79/816414079.db2.gz DOWQPMMWMYKLBA-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347234 816415329 /nfs/dbraw/zinc/41/53/29/816415329.db2.gz ZUMKLRMGVNADOR-LJQANCHMSA-N 2 1 297.446 3.379 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347234 816415333 /nfs/dbraw/zinc/41/53/33/816415333.db2.gz ZUMKLRMGVNADOR-LJQANCHMSA-N 2 1 297.446 3.379 20 0 CGADMP c1ccc(CCCC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222346345 816415355 /nfs/dbraw/zinc/41/53/55/816415355.db2.gz QMMKTRJNOYJQOG-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222346345 816415358 /nfs/dbraw/zinc/41/53/58/816415358.db2.gz QMMKTRJNOYJQOG-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360677 816418551 /nfs/dbraw/zinc/41/85/51/816418551.db2.gz SIPGEZDVELRSSR-ROUUACIJSA-N 2 1 294.483 3.213 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360677 816418557 /nfs/dbraw/zinc/41/85/57/816418557.db2.gz SIPGEZDVELRSSR-ROUUACIJSA-N 2 1 294.483 3.213 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[NH+]2CC3(C2)CC[NH2+]C3)cc1 ZINC001222379767 816423336 /nfs/dbraw/zinc/42/33/36/816423336.db2.gz KFUHCFREEWLTDG-MRXNPFEDSA-N 2 1 286.463 3.284 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)[nH]1 ZINC001222385412 816425486 /nfs/dbraw/zinc/42/54/86/816425486.db2.gz MLLRCOVIKVAEAB-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)[nH]1 ZINC001222385412 816425489 /nfs/dbraw/zinc/42/54/89/816425489.db2.gz MLLRCOVIKVAEAB-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP Cc1c(Cl)ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c1F ZINC001222552922 816466752 /nfs/dbraw/zinc/46/67/52/816466752.db2.gz LNEDEJOZGUYCQU-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP CCC[C@@H](C)C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595908 816474560 /nfs/dbraw/zinc/47/45/60/816474560.db2.gz LNGINEPVAMJBAC-WBVHZDCISA-N 2 1 272.436 3.112 20 0 CGADMP Cc1csc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222601933 816476551 /nfs/dbraw/zinc/47/65/51/816476551.db2.gz DLTQKFLQTHJDEE-KRWDZBQOSA-N 2 1 298.455 3.246 20 0 CGADMP Cc1sccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222616018 816479301 /nfs/dbraw/zinc/47/93/01/816479301.db2.gz VPPCGRKJZHVZEF-KRWDZBQOSA-N 2 1 298.455 3.246 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620423 816480402 /nfs/dbraw/zinc/48/04/02/816480402.db2.gz ROMCAINNBQOFFR-ZWKOTPCHSA-N 2 1 270.420 3.138 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624261 816482337 /nfs/dbraw/zinc/48/23/37/816482337.db2.gz VSMXIJIXRNBHQM-VYRCICMXSA-N 2 1 264.457 3.444 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC001222623872 816482617 /nfs/dbraw/zinc/48/26/17/816482617.db2.gz ONTFDQFNAUUYHK-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(CC)s3)C[C@@H]2C1 ZINC001231503226 818115371 /nfs/dbraw/zinc/11/53/71/818115371.db2.gz UNSCFHYGPFPEQA-KBPBESRZSA-N 2 1 278.465 3.084 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)o3)C[C@H]2C1 ZINC001231813630 818182923 /nfs/dbraw/zinc/18/29/23/818182923.db2.gz ONRUJXQEBUASGC-IAGOWNOFSA-N 2 1 296.414 3.330 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(C)C)C[C@@H]2C1 ZINC001231878314 818197892 /nfs/dbraw/zinc/19/78/92/818197892.db2.gz IAQISKMDBPDGDW-CALCHBBNSA-N 2 1 272.436 3.194 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3C(C)C)C[C@@H]2C1 ZINC001231878314 818197897 /nfs/dbraw/zinc/19/78/97/818197897.db2.gz IAQISKMDBPDGDW-CALCHBBNSA-N 2 1 272.436 3.194 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3C(C)C)C[C@@H]2C1 ZINC001231878314 818197899 /nfs/dbraw/zinc/19/78/99/818197899.db2.gz IAQISKMDBPDGDW-CALCHBBNSA-N 2 1 272.436 3.194 20 0 CGADMP Cc1cc(F)ncc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001231984494 818224218 /nfs/dbraw/zinc/22/42/18/818224218.db2.gz GEOLBPVKGJVSRT-UHFFFAOYSA-N 2 1 293.430 3.081 20 0 CGADMP COc1ccc2c(c1)CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232011467 818232215 /nfs/dbraw/zinc/23/22/15/818232215.db2.gz LQMXMDGJAWZMLU-UHFFFAOYSA-N 2 1 293.370 3.130 20 0 CGADMP COc1ccc2c(c1)CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232011467 818232220 /nfs/dbraw/zinc/23/22/20/818232220.db2.gz LQMXMDGJAWZMLU-UHFFFAOYSA-N 2 1 293.370 3.130 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001232010770 818233778 /nfs/dbraw/zinc/23/37/78/818233778.db2.gz AAPNSZHVIYHOGU-OLZOCXBDSA-N 2 1 257.381 3.431 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4ccsc4c3)C[C@H]2C1 ZINC001232613800 818398870 /nfs/dbraw/zinc/39/88/70/818398870.db2.gz GVIYMLTZTMDMAO-HZPDHXFCSA-N 2 1 286.444 3.285 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992777 818969299 /nfs/dbraw/zinc/96/92/99/818969299.db2.gz LWNHVYRXWPNRBE-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992777 818969302 /nfs/dbraw/zinc/96/93/02/818969302.db2.gz LWNHVYRXWPNRBE-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235000129 818974843 /nfs/dbraw/zinc/97/48/43/818974843.db2.gz OMQQUHLRQLXKBC-KRWDZBQOSA-N 2 1 290.476 3.292 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235000129 818974849 /nfs/dbraw/zinc/97/48/49/818974849.db2.gz OMQQUHLRQLXKBC-KRWDZBQOSA-N 2 1 290.476 3.292 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001235026706 818982892 /nfs/dbraw/zinc/98/28/92/818982892.db2.gz QBFRJYUOYFFBMV-SIXWZSSISA-N 2 1 280.415 3.237 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1C ZINC001235031339 818983833 /nfs/dbraw/zinc/98/38/33/818983833.db2.gz FPFIIJXNSKDQSE-IBGZPJMESA-N 2 1 286.463 3.414 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC001235035694 818986156 /nfs/dbraw/zinc/98/61/56/818986156.db2.gz HIKZBVHLRRXTMP-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC001235035694 818986160 /nfs/dbraw/zinc/98/61/60/818986160.db2.gz HIKZBVHLRRXTMP-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046518 818989769 /nfs/dbraw/zinc/98/97/69/818989769.db2.gz RAFISHYIDUNDST-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)c1 ZINC001235047941 818992170 /nfs/dbraw/zinc/99/21/70/818992170.db2.gz XSIZEMNIPSUESJ-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)c1 ZINC001235047941 818992172 /nfs/dbraw/zinc/99/21/72/818992172.db2.gz XSIZEMNIPSUESJ-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235112189 819007099 /nfs/dbraw/zinc/00/70/99/819007099.db2.gz YCJOJVWNWQSTBX-SFHVURJKSA-N 2 1 272.436 3.180 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235112189 819007102 /nfs/dbraw/zinc/00/71/02/819007102.db2.gz YCJOJVWNWQSTBX-SFHVURJKSA-N 2 1 272.436 3.180 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235150993 819017158 /nfs/dbraw/zinc/01/71/58/819017158.db2.gz CGCAZLLKPUBIAX-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)o1 ZINC001235154333 819018212 /nfs/dbraw/zinc/01/82/12/819018212.db2.gz WDHRYMXRDFRFFP-SFHVURJKSA-N 2 1 290.451 3.375 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155044 819018812 /nfs/dbraw/zinc/01/88/12/819018812.db2.gz NDTOLRNYLNVRDY-SFHVURJKSA-N 2 1 290.426 3.488 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235160730 819019041 /nfs/dbraw/zinc/01/90/41/819019041.db2.gz YVOOGHSOTXFQMY-KRWDZBQOSA-N 2 1 294.389 3.319 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCCC2)cc1 ZINC001235187151 819027826 /nfs/dbraw/zinc/02/78/26/819027826.db2.gz SAVNTZNSLGIMKF-SJORKVTESA-N 2 1 284.447 3.040 20 0 CGADMP c1csc(-c2ccccc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235193875 819032381 /nfs/dbraw/zinc/03/23/81/819032381.db2.gz RJEHJXKFYQHABM-GDBMZVCRSA-N 2 1 298.455 3.456 20 0 CGADMP C[C@H](C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235260105 819055220 /nfs/dbraw/zinc/05/52/20/819055220.db2.gz NGAKLDRZNPOSKG-OGWOLHLISA-N 2 1 280.415 3.237 20 0 CGADMP c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264811 819057424 /nfs/dbraw/zinc/05/74/24/819057424.db2.gz YZYMNIOMAFDVMM-OALUTQOASA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264811 819057432 /nfs/dbraw/zinc/05/74/32/819057432.db2.gz YZYMNIOMAFDVMM-OALUTQOASA-N 2 1 278.399 3.147 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)o1 ZINC001235266843 819058503 /nfs/dbraw/zinc/05/85/03/819058503.db2.gz GNKIAFBMFLJQLT-ZWKOTPCHSA-N 2 1 296.414 3.439 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccccc3-c3ccc(Cl)cc3)C[C@@H]12 ZINC001235283686 819060630 /nfs/dbraw/zinc/06/06/30/819060630.db2.gz GIEOPBVROXFBFY-BCDXTJNWSA-N 2 1 298.817 3.396 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)s1 ZINC001235341612 819072308 /nfs/dbraw/zinc/07/23/08/819072308.db2.gz RMYWIPUQGOGHFH-ZDUSSCGKSA-N 2 1 278.465 3.132 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399277 819084989 /nfs/dbraw/zinc/08/49/89/819084989.db2.gz AELFDZKKIBFWDY-XHSDSOJGSA-N 2 1 270.436 3.226 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1C ZINC001235407473 819088566 /nfs/dbraw/zinc/08/85/66/819088566.db2.gz SBJFMIIDGDMFMU-ROUUACIJSA-N 2 1 290.426 3.135 20 0 CGADMP Cc1sccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428963 819094704 /nfs/dbraw/zinc/09/47/04/819094704.db2.gz SCAIJKMXODWACE-GOEBONIOSA-N 2 1 278.465 3.268 20 0 CGADMP Fc1cccc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235428223 819095061 /nfs/dbraw/zinc/09/50/61/819095061.db2.gz UODXNGHXSOVPCY-DLBZAZTESA-N 2 1 290.426 3.080 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001235446601 819101174 /nfs/dbraw/zinc/10/11/74/819101174.db2.gz YVGRHDXJDUGODD-NVXWUHKLSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001235446601 819101175 /nfs/dbraw/zinc/10/11/75/819101175.db2.gz YVGRHDXJDUGODD-NVXWUHKLSA-N 2 1 258.409 3.274 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH2+]CC1 ZINC001235465936 819106833 /nfs/dbraw/zinc/10/68/33/819106833.db2.gz LNLPKQHMXYUQAD-UHFFFAOYSA-N 2 1 277.799 3.005 20 0 CGADMP Cc1cc(Cl)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001235531508 819117979 /nfs/dbraw/zinc/11/79/79/819117979.db2.gz JHOPLYVWXCJFAF-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001235531508 819117982 /nfs/dbraw/zinc/11/79/82/819117982.db2.gz JHOPLYVWXCJFAF-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235673551 819133783 /nfs/dbraw/zinc/13/37/83/819133783.db2.gz NQKXEYNSIYPCGS-SFHVURJKSA-N 2 1 286.463 3.331 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC001235675403 819134795 /nfs/dbraw/zinc/13/47/95/819134795.db2.gz XGZUVFJHWPNKBN-MRXNPFEDSA-N 2 1 258.409 3.213 20 0 CGADMP CC1(C[N@H+]2CCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC001235675402 819135562 /nfs/dbraw/zinc/13/55/62/819135562.db2.gz XGZUVFJHWPNKBN-INIZCTEOSA-N 2 1 258.409 3.213 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235713247 819148464 /nfs/dbraw/zinc/14/84/64/819148464.db2.gz LKOFZGRCUYEWGE-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235713247 819148469 /nfs/dbraw/zinc/14/84/69/819148469.db2.gz LKOFZGRCUYEWGE-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235713425 819149162 /nfs/dbraw/zinc/14/91/62/819149162.db2.gz AAALPCPWJYBRKS-INIZCTEOSA-N 2 1 288.435 3.222 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235714355 819150147 /nfs/dbraw/zinc/15/01/47/819150147.db2.gz JXOHRNBGKVBBJP-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CCOc1ccc(C)cc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717629 819151384 /nfs/dbraw/zinc/15/13/84/819151384.db2.gz WUNDQMWGPOLNPE-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235724180 819153121 /nfs/dbraw/zinc/15/31/21/819153121.db2.gz CWOGDJFIZFMNSM-HUUCEWRRSA-N 2 1 276.399 3.147 20 0 CGADMP CC[N@@H+](Cc1cccc2c1CCCC2)C1CC[NH2+]CC1 ZINC001235762494 819162943 /nfs/dbraw/zinc/16/29/43/819162943.db2.gz VDHIKIXPXCWTPS-UHFFFAOYSA-N 2 1 272.436 3.139 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2cccccc1-2 ZINC001235890380 819199015 /nfs/dbraw/zinc/19/90/15/819199015.db2.gz DXPYGZTYTJPBHW-BBRMVZONSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2cccccc1-2 ZINC001235890380 819199018 /nfs/dbraw/zinc/19/90/18/819199018.db2.gz DXPYGZTYTJPBHW-BBRMVZONSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCCCCc1ccccc1 ZINC001235892198 819202154 /nfs/dbraw/zinc/20/21/54/819202154.db2.gz MFIVYSTYZFRELB-RDJZCZTQSA-N 2 1 260.425 3.211 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCc1ccccc1C(F)(F)F ZINC001235925034 819223948 /nfs/dbraw/zinc/22/39/48/819223948.db2.gz GWKATVUVIHNPOM-ZDUSSCGKSA-N 2 1 286.341 3.061 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235926311 819226817 /nfs/dbraw/zinc/22/68/17/819226817.db2.gz XKVAMVQPYRFQTM-ZDUSSCGKSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235926311 819226821 /nfs/dbraw/zinc/22/68/21/819226821.db2.gz XKVAMVQPYRFQTM-ZDUSSCGKSA-N 2 1 286.341 3.327 20 0 CGADMP C[C@H](C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001235928903 819227204 /nfs/dbraw/zinc/22/72/04/819227204.db2.gz FIQAEZRLSPBXOR-NXHRZFHOSA-N 2 1 294.442 3.485 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235930295 819227532 /nfs/dbraw/zinc/22/75/32/819227532.db2.gz VSZGTUAKABOKDF-JKSUJKDBSA-N 2 1 272.436 3.025 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235929837 819228412 /nfs/dbraw/zinc/22/84/12/819228412.db2.gz UXEVPOYDDQMWLK-VQTJNVASSA-N 2 1 292.426 3.395 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001235935331 819231155 /nfs/dbraw/zinc/23/11/55/819231155.db2.gz SZZDPDFEYTUWKU-WBVHZDCISA-N 2 1 276.399 3.147 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235937559 819231966 /nfs/dbraw/zinc/23/19/66/819231966.db2.gz IUHYDBGEDXGDBK-KBPBESRZSA-N 2 1 286.444 3.251 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235937562 819232445 /nfs/dbraw/zinc/23/24/45/819232445.db2.gz IUHYDBGEDXGDBK-ZIAGYGMSSA-N 2 1 286.444 3.251 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235941871 819234707 /nfs/dbraw/zinc/23/47/07/819234707.db2.gz XKSYKJHXIURPLE-GXTWGEPZSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235941871 819234711 /nfs/dbraw/zinc/23/47/11/819234711.db2.gz XKSYKJHXIURPLE-GXTWGEPZSA-N 2 1 298.352 3.055 20 0 CGADMP Fc1ccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235949425 819239110 /nfs/dbraw/zinc/23/91/10/819239110.db2.gz JXXVIOHMYBFINW-QGZVFWFLSA-N 2 1 296.389 3.418 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001235950130 819240721 /nfs/dbraw/zinc/24/07/21/819240721.db2.gz RATASFVVYVOBIM-AWEZNQCLSA-N 2 1 266.816 3.258 20 0 CGADMP C[N@H+](Cc1ccc2cccccc1-2)C[C@H]1CCC[NH2+]C1 ZINC001235956318 819244186 /nfs/dbraw/zinc/24/41/86/819244186.db2.gz CGHGIDBECZLRSC-HNNXBMFYSA-N 2 1 268.404 3.223 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001235958844 819247116 /nfs/dbraw/zinc/24/71/16/819247116.db2.gz BFXHTVPWOUCLCS-DOTOQJQBSA-N 2 1 260.425 3.459 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001235959102 819247947 /nfs/dbraw/zinc/24/79/47/819247947.db2.gz SQYJBTHYKQSGEE-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP c1ccc(C2=CC[N@H+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235962126 819250731 /nfs/dbraw/zinc/25/07/31/819250731.db2.gz JTELZZNJNZZDEE-SFHVURJKSA-N 2 1 270.420 3.308 20 0 CGADMP c1ccc(C2=CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235962126 819250736 /nfs/dbraw/zinc/25/07/36/819250736.db2.gz JTELZZNJNZZDEE-SFHVURJKSA-N 2 1 270.420 3.308 20 0 CGADMP C[C@H](C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1)c1cccc2ccccc21 ZINC001235977689 819256882 /nfs/dbraw/zinc/25/68/82/819256882.db2.gz HNUHXGOBDKPZEB-OGWOLHLISA-N 2 1 280.415 3.366 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981909 819258886 /nfs/dbraw/zinc/25/88/86/819258886.db2.gz SOVYZAMXIPDGGT-RBUKOAKNSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981909 819258892 /nfs/dbraw/zinc/25/88/92/819258892.db2.gz SOVYZAMXIPDGGT-RBUKOAKNSA-N 2 1 278.399 3.277 20 0 CGADMP CC[N@H+](Cc1ccccc1-c1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236006509 819270657 /nfs/dbraw/zinc/27/06/57/819270657.db2.gz IAWDUZGJOLDIKL-SFHVURJKSA-N 2 1 295.430 3.323 20 0 CGADMP CC[N@@H+](Cc1ccccc1-c1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236006509 819270665 /nfs/dbraw/zinc/27/06/65/819270665.db2.gz IAWDUZGJOLDIKL-SFHVURJKSA-N 2 1 295.430 3.323 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C(C)(C)Cc1ccccc1 ZINC001236155860 819348279 /nfs/dbraw/zinc/34/82/79/819348279.db2.gz RETABELWXVQZJQ-KRWDZBQOSA-N 2 1 274.452 3.329 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001236188663 819361523 /nfs/dbraw/zinc/36/15/23/819361523.db2.gz CDMHWVOXGVOODX-CXAGYDPISA-N 2 1 269.392 3.057 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001236188663 819361530 /nfs/dbraw/zinc/36/15/30/819361530.db2.gz CDMHWVOXGVOODX-CXAGYDPISA-N 2 1 269.392 3.057 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001236190718 819362501 /nfs/dbraw/zinc/36/25/01/819362501.db2.gz WRDYWLRNGPVSMT-HUUCEWRRSA-N 2 1 268.404 3.442 20 0 CGADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)O1 ZINC001236194892 819364850 /nfs/dbraw/zinc/36/48/50/819364850.db2.gz XKLDISCZORJDAB-GUYCJALGSA-N 2 1 299.418 3.029 20 0 CGADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)O1 ZINC001236194892 819364856 /nfs/dbraw/zinc/36/48/56/819364856.db2.gz XKLDISCZORJDAB-GUYCJALGSA-N 2 1 299.418 3.029 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)C[C@@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001236212640 819373377 /nfs/dbraw/zinc/37/33/77/819373377.db2.gz KCUVIPISPDOYIC-JUVOFCAFSA-N 2 1 264.457 3.441 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC001236216864 819381869 /nfs/dbraw/zinc/38/18/69/819381869.db2.gz LMCLKAYXMGXOJL-IAGOWNOFSA-N 2 1 276.424 3.014 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC001236216864 819381870 /nfs/dbraw/zinc/38/18/70/819381870.db2.gz LMCLKAYXMGXOJL-IAGOWNOFSA-N 2 1 276.424 3.014 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cccc2n1 ZINC001236220310 819385715 /nfs/dbraw/zinc/38/57/15/819385715.db2.gz YXXBETMCWOGBHY-FUHWJXTLSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cccc2n1 ZINC001236220314 819386388 /nfs/dbraw/zinc/38/63/88/819386388.db2.gz YXXBETMCWOGBHY-SJLPKXTDSA-N 2 1 283.419 3.245 20 0 CGADMP C[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219688 819387013 /nfs/dbraw/zinc/38/70/13/819387013.db2.gz XMTCTSUSZRINTN-OALUTQOASA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219688 819387020 /nfs/dbraw/zinc/38/70/20/819387020.db2.gz XMTCTSUSZRINTN-OALUTQOASA-N 2 1 295.430 3.450 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227342 819391235 /nfs/dbraw/zinc/39/12/35/819391235.db2.gz CNDTXAQVPDUJGL-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227342 819391241 /nfs/dbraw/zinc/39/12/41/819391241.db2.gz CNDTXAQVPDUJGL-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236224880 819391407 /nfs/dbraw/zinc/39/14/07/819391407.db2.gz YBCJJONRIKSEBN-KLHDSHLOSA-N 2 1 250.430 3.181 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236224756 819392256 /nfs/dbraw/zinc/39/22/56/819392256.db2.gz WIHGVYIENOKSEN-QAQDUYKDSA-N 2 1 260.425 3.341 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236228080 819392298 /nfs/dbraw/zinc/39/22/98/819392298.db2.gz PHVCPCSGANZEIE-UHFFFAOYSA-N 2 1 278.465 3.291 20 0 CGADMP C[N@@H+](CCc1ccccc1F)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236264888 819410522 /nfs/dbraw/zinc/41/05/22/819410522.db2.gz DVDWXUBCVPNVBL-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP c1ccc(CCCCC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236315225 819421119 /nfs/dbraw/zinc/42/11/19/819421119.db2.gz WQOGKNFUQWJUJT-KDURUIRLSA-N 2 1 286.463 3.331 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372676 819441821 /nfs/dbraw/zinc/44/18/21/819441821.db2.gz SHUAMVFGVRUYEW-MLHJIOFPSA-N 2 1 288.479 3.443 20 0 CGADMP CC[N@H+](Cc1ccc(OC(C)(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407397 819454108 /nfs/dbraw/zinc/45/41/08/819454108.db2.gz DWWUJGNBWVKNMU-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236410892 819457896 /nfs/dbraw/zinc/45/78/96/819457896.db2.gz LFYGVZONJUYJAF-OAOYMFHYSA-N 2 1 286.463 3.138 20 0 CGADMP C[N@H+](Cc1ccc(Oc2ccccc2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413389 819458528 /nfs/dbraw/zinc/45/85/28/819458528.db2.gz OVFFLYMLQUWFHH-BWTSREIZSA-N 2 1 294.398 3.129 20 0 CGADMP C[N@@H+](Cc1ccc(Oc2ccccc2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413389 819458531 /nfs/dbraw/zinc/45/85/31/819458531.db2.gz OVFFLYMLQUWFHH-BWTSREIZSA-N 2 1 294.398 3.129 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001236421249 819467725 /nfs/dbraw/zinc/46/77/25/819467725.db2.gz SHIOURBOUGCCBI-GOSISDBHSA-N 2 1 290.451 3.057 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001236421249 819467731 /nfs/dbraw/zinc/46/77/31/819467731.db2.gz SHIOURBOUGCCBI-GOSISDBHSA-N 2 1 290.451 3.057 20 0 CGADMP CC(C)(C)C[N@@H+](CCOc1ccccc1)C1CC[NH2+]CC1 ZINC001236457973 819486505 /nfs/dbraw/zinc/48/65/05/819486505.db2.gz OWSGXURYZZIGLB-UHFFFAOYSA-N 2 1 290.451 3.166 20 0 CGADMP CC(C)[N@H+](Cc1cccc2occc21)[C@@H]1CCC[NH2+]C1 ZINC001236470539 819491699 /nfs/dbraw/zinc/49/16/99/819491699.db2.gz KESQLBBQLAPDBL-OAHLLOKOSA-N 2 1 272.392 3.395 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2occc21)[C@@H]1CCC[NH2+]C1 ZINC001236470539 819491705 /nfs/dbraw/zinc/49/17/05/819491705.db2.gz KESQLBBQLAPDBL-OAHLLOKOSA-N 2 1 272.392 3.395 20 0 CGADMP Cc1n[nH]c(C)c1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566201 819538506 /nfs/dbraw/zinc/53/85/06/819538506.db2.gz FNSNMYOZGTWWBE-KOMQPUFPSA-N 2 1 290.455 3.041 20 0 CGADMP CCc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236633683 819557623 /nfs/dbraw/zinc/55/76/23/819557623.db2.gz JWGWLPHBNSFMBI-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4sccc43)C2)C1 ZINC001236684620 819571904 /nfs/dbraw/zinc/57/19/04/819571904.db2.gz SZPBCMXPDQNOCF-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc4sccc43)C2)C1 ZINC001236684620 819571910 /nfs/dbraw/zinc/57/19/10/819571910.db2.gz SZPBCMXPDQNOCF-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc4sccc43)C2)C1 ZINC001236684620 819571914 /nfs/dbraw/zinc/57/19/14/819571914.db2.gz SZPBCMXPDQNOCF-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c4ccccc34)C[C@H]12 ZINC001236819841 819606398 /nfs/dbraw/zinc/60/63/98/819606398.db2.gz OLHWCTUEQIDSRR-QANKJYHBSA-N 2 1 284.378 3.148 20 0 CGADMP CCCCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC001236820303 819608156 /nfs/dbraw/zinc/60/81/56/819608156.db2.gz PVVAVMPBAQZIFV-SZMVWBNQSA-N 2 1 288.435 3.035 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC001236832354 819612189 /nfs/dbraw/zinc/61/21/89/819612189.db2.gz VAYXSYMATAUICH-OKZBNKHCSA-N 2 1 272.436 3.198 20 0 CGADMP CCC[N@@H+](Cc1ccc(OC)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236834333 819612775 /nfs/dbraw/zinc/61/27/75/819612775.db2.gz HROBUJUNALMWNB-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236834333 819612778 /nfs/dbraw/zinc/61/27/78/819612778.db2.gz HROBUJUNALMWNB-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1c(C)cc(OC)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836525 819617047 /nfs/dbraw/zinc/61/70/47/819617047.db2.gz WTHGWRPTCSUMJO-MRXNPFEDSA-N 2 1 290.451 3.134 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)cc(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236841903 819619113 /nfs/dbraw/zinc/61/91/13/819619113.db2.gz ASSXBEBGLBTGBT-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccc(Br)cc1 ZINC001236859856 819625037 /nfs/dbraw/zinc/62/50/37/819625037.db2.gz NYJGJPWVSGUMJN-AWEZNQCLSA-N 2 1 299.256 3.051 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccc(Br)cc1 ZINC001236859856 819625038 /nfs/dbraw/zinc/62/50/38/819625038.db2.gz NYJGJPWVSGUMJN-AWEZNQCLSA-N 2 1 299.256 3.051 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001237056886 819655301 /nfs/dbraw/zinc/65/53/01/819655301.db2.gz KYHNTKXAQYZGQY-INIZCTEOSA-N 2 1 274.433 3.462 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001237080219 819662125 /nfs/dbraw/zinc/66/21/25/819662125.db2.gz FPUIFPAGYZIYGC-MRXNPFEDSA-N 2 1 274.433 3.462 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1Cl ZINC001237083207 819664192 /nfs/dbraw/zinc/66/41/92/819664192.db2.gz XHXJRBCAMPIVGL-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1Cl ZINC001237083207 819664196 /nfs/dbraw/zinc/66/41/96/819664196.db2.gz XHXJRBCAMPIVGL-OAHLLOKOSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237147968 819679857 /nfs/dbraw/zinc/67/98/57/819679857.db2.gz ZSNOWERAQKPAJA-KRWDZBQOSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1ccccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237147968 819679860 /nfs/dbraw/zinc/67/98/60/819679860.db2.gz ZSNOWERAQKPAJA-KRWDZBQOSA-N 2 1 258.409 3.102 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001237187052 819691587 /nfs/dbraw/zinc/69/15/87/819691587.db2.gz BUUODNORTJTPKO-GOSISDBHSA-N 2 1 290.426 3.235 20 0 CGADMP C[N@@H+](CC1CC2(C1)CC[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC001237256838 819709678 /nfs/dbraw/zinc/70/96/78/819709678.db2.gz BOIXWWPEOJMHSD-GOSISDBHSA-N 2 1 284.447 3.386 20 0 CGADMP [NH3+]CCCCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001237263257 819710213 /nfs/dbraw/zinc/71/02/13/819710213.db2.gz BSEBWAOACZKJEO-UHFFFAOYSA-N 2 1 287.234 3.481 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001237263257 819710218 /nfs/dbraw/zinc/71/02/18/819710218.db2.gz BSEBWAOACZKJEO-UHFFFAOYSA-N 2 1 287.234 3.481 20 0 CGADMP Fc1ccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001237246769 819710377 /nfs/dbraw/zinc/71/03/77/819710377.db2.gz CXVSCJATXWHEPU-ZWKOTPCHSA-N 2 1 290.426 3.365 20 0 CGADMP Cc1ncc(C[NH+]2CCC3(CCNc4ccccc43)CC2)[nH]1 ZINC001237321110 819723668 /nfs/dbraw/zinc/72/36/68/819723668.db2.gz SNXISNNEIPSLBL-UHFFFAOYSA-N 2 1 296.418 3.068 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382127 819738159 /nfs/dbraw/zinc/73/81/59/819738159.db2.gz LFPXWNYUNIZZGX-IKGGRYGDSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382127 819738163 /nfs/dbraw/zinc/73/81/63/819738163.db2.gz LFPXWNYUNIZZGX-IKGGRYGDSA-N 2 1 296.499 3.028 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384116 819739137 /nfs/dbraw/zinc/73/91/37/819739137.db2.gz UMHFVSNFDNQBNE-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384116 819739141 /nfs/dbraw/zinc/73/91/41/819739141.db2.gz UMHFVSNFDNQBNE-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccnc2cccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)c12 ZINC001237629545 819792674 /nfs/dbraw/zinc/79/26/74/819792674.db2.gz HTSXQVHPKAAYMT-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(O)ccc2C)CC1 ZINC001238110835 819935583 /nfs/dbraw/zinc/93/55/83/819935583.db2.gz QMRQRHUVYLWPMT-UHFFFAOYSA-N 2 1 290.451 3.397 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(O)ccc2C)CC1 ZINC001238110835 819935586 /nfs/dbraw/zinc/93/55/86/819935586.db2.gz QMRQRHUVYLWPMT-UHFFFAOYSA-N 2 1 290.451 3.397 20 0 CGADMP Cc1cccc(CC[N@H+](C)Cc2cccc3cncn32)c1 ZINC001238120609 819938109 /nfs/dbraw/zinc/93/81/09/819938109.db2.gz YTJLTJWLXJFJOZ-UHFFFAOYSA-N 2 1 279.387 3.317 20 0 CGADMP Cc1cccc(CC[N@@H+](C)Cc2cccc3c[nH+]cn32)c1 ZINC001238120609 819938113 /nfs/dbraw/zinc/93/81/13/819938113.db2.gz YTJLTJWLXJFJOZ-UHFFFAOYSA-N 2 1 279.387 3.317 20 0 CGADMP Cc1cccc(CC[N@H+](C)Cc2cccc3c[nH+]cn32)c1 ZINC001238120609 819938118 /nfs/dbraw/zinc/93/81/18/819938118.db2.gz YTJLTJWLXJFJOZ-UHFFFAOYSA-N 2 1 279.387 3.317 20 0 CGADMP Fc1ccc([C@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238117867 819938394 /nfs/dbraw/zinc/93/83/94/819938394.db2.gz DRLBGOZAGUQKJN-HNNXBMFYSA-N 2 1 295.361 3.463 20 0 CGADMP Fc1ccc([C@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238117867 819938399 /nfs/dbraw/zinc/93/83/99/819938399.db2.gz DRLBGOZAGUQKJN-HNNXBMFYSA-N 2 1 295.361 3.463 20 0 CGADMP Cc1cc(C)c(-c2ccc3c(c2)CC[NH2+]C3)c(C)[nH+]1 ZINC001240458941 821071880 /nfs/dbraw/zinc/07/18/80/821071880.db2.gz QAEMDNHOGKCXEQ-UHFFFAOYSA-N 2 1 252.361 3.320 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC001241251124 821672292 /nfs/dbraw/zinc/67/22/92/821672292.db2.gz UXGXQZDSQZIOHA-UHFFFAOYSA-N 2 1 269.392 3.317 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C2=CC[NH+](C)CC2)nc1 ZINC001241313035 821724006 /nfs/dbraw/zinc/72/40/06/821724006.db2.gz UBFNLFYDXRJDNF-OAHLLOKOSA-N 2 1 285.435 3.175 20 0 CGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C2=CC[N@H+](C)CC2)nc1 ZINC001241313035 821724009 /nfs/dbraw/zinc/72/40/09/821724009.db2.gz UBFNLFYDXRJDNF-OAHLLOKOSA-N 2 1 285.435 3.175 20 0 CGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C2=CC[N@@H+](C)CC2)nc1 ZINC001241313035 821724011 /nfs/dbraw/zinc/72/40/11/821724011.db2.gz UBFNLFYDXRJDNF-OAHLLOKOSA-N 2 1 285.435 3.175 20 0 CGADMP Cc1cc(N)ncc1-c1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001242078352 822338912 /nfs/dbraw/zinc/33/89/12/822338912.db2.gz HVILLSFASLJSPE-AWEZNQCLSA-N 2 1 296.418 3.409 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001242078352 822338922 /nfs/dbraw/zinc/33/89/22/822338922.db2.gz HVILLSFASLJSPE-AWEZNQCLSA-N 2 1 296.418 3.409 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001242078352 822338934 /nfs/dbraw/zinc/33/89/34/822338934.db2.gz HVILLSFASLJSPE-AWEZNQCLSA-N 2 1 296.418 3.409 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC001339276578 936363903 /nfs/dbraw/zinc/36/39/03/936363903.db2.gz PJOJGNZVHOSKSY-CRAIPNDOSA-N 2 1 287.451 3.255 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495982 936406095 /nfs/dbraw/zinc/40/60/95/936406095.db2.gz UCPBBOKYIKQARK-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495982 936406101 /nfs/dbraw/zinc/40/61/01/936406101.db2.gz UCPBBOKYIKQARK-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccnc(Cl)c2)C1 ZINC001340517710 936407288 /nfs/dbraw/zinc/40/72/88/936407288.db2.gz VLGWJDSNMNXONC-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC001340517710 936407290 /nfs/dbraw/zinc/40/72/90/936407290.db2.gz VLGWJDSNMNXONC-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP Cc1sccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343333839 936495407 /nfs/dbraw/zinc/49/54/07/936495407.db2.gz PUFJYZALJMQGHX-HRCADAONSA-N 2 1 278.465 3.219 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC4)C2)CC1 ZINC001343352848 936496455 /nfs/dbraw/zinc/49/64/55/936496455.db2.gz FXVWRJRXZZSNEE-FQEVSTJZSA-N 2 1 298.474 3.339 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(OC)CCC1 ZINC001349585979 936953308 /nfs/dbraw/zinc/95/33/08/936953308.db2.gz AEIAMQVJCWNMST-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@]2(C)CCC[NH2+]C2)c1 ZINC001352788317 937049385 /nfs/dbraw/zinc/04/93/85/937049385.db2.gz OKIMXNZZRJNNGJ-ZWKOTPCHSA-N 2 1 288.435 3.222 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H]1CC2CCC1CC2)C(C)C ZINC000382333672 926709538 /nfs/dbraw/zinc/70/95/38/926709538.db2.gz YSPAAEDIPWVTGQ-GPANFISMSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000399018696 926754704 /nfs/dbraw/zinc/75/47/04/926754704.db2.gz DFHFMDNZASCPQE-MFKMUULPSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000399018699 926755037 /nfs/dbraw/zinc/75/50/37/926755037.db2.gz DFHFMDNZASCPQE-ZWNOBZJWSA-N 2 1 287.234 3.266 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@@H]2C1 ZINC001355373195 937138940 /nfs/dbraw/zinc/13/89/40/937138940.db2.gz KAMRRHAHBYZKNC-GRDNDAEWSA-N 2 1 294.389 3.127 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540446 928284868 /nfs/dbraw/zinc/28/48/68/928284868.db2.gz DPLWKHGQIAVUKJ-YUELXQCFSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540446 928284876 /nfs/dbraw/zinc/28/48/76/928284876.db2.gz DPLWKHGQIAVUKJ-YUELXQCFSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540446 928284888 /nfs/dbraw/zinc/28/48/88/928284888.db2.gz DPLWKHGQIAVUKJ-YUELXQCFSA-N 2 1 278.827 3.285 20 0 CGADMP COCC[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001459541111 937491191 /nfs/dbraw/zinc/49/11/91/937491191.db2.gz KGIBUEVJGUJDMH-WMZOPIPTSA-N 2 1 290.451 3.038 20 0 CGADMP COCC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001459541111 937491193 /nfs/dbraw/zinc/49/11/93/937491193.db2.gz KGIBUEVJGUJDMH-WMZOPIPTSA-N 2 1 290.451 3.038 20 0 CGADMP COCC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001459541111 937491194 /nfs/dbraw/zinc/49/11/94/937491194.db2.gz KGIBUEVJGUJDMH-WMZOPIPTSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC001459876542 937504464 /nfs/dbraw/zinc/50/44/64/937504464.db2.gz IIBVYEQLCSBLKD-UHFFFAOYSA-N 2 1 297.446 3.392 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001460708344 937541274 /nfs/dbraw/zinc/54/12/74/937541274.db2.gz KKRCHHFIDYDFAN-DNVCBOLYSA-N 2 1 293.414 3.280 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001460720109 937541870 /nfs/dbraw/zinc/54/18/70/937541870.db2.gz KFAYOZLXISSUKW-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001460720109 937541871 /nfs/dbraw/zinc/54/18/71/937541871.db2.gz KFAYOZLXISSUKW-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CCc1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC001461050696 937561746 /nfs/dbraw/zinc/56/17/46/937561746.db2.gz JTILSUCJVWTCPL-CQSZACIVSA-N 2 1 295.496 3.450 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC001461118679 937564913 /nfs/dbraw/zinc/56/49/13/937564913.db2.gz DDVCKSKUZDEKER-OICCZTGUSA-N 2 1 276.399 3.160 20 0 CGADMP CC1(C)CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC001461165155 937567295 /nfs/dbraw/zinc/56/72/95/937567295.db2.gz FBNMHUVKQOPLRY-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001462225874 937626622 /nfs/dbraw/zinc/62/66/22/937626622.db2.gz VMOCTNPKSNMMIG-INIZCTEOSA-N 2 1 280.843 3.347 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001462225874 937626624 /nfs/dbraw/zinc/62/66/24/937626624.db2.gz VMOCTNPKSNMMIG-INIZCTEOSA-N 2 1 280.843 3.347 20 0 CGADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CCCCC1 ZINC001462334981 937632400 /nfs/dbraw/zinc/63/24/00/937632400.db2.gz OBQXVFRTUWUXCT-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CCCCC1 ZINC001462334981 937632402 /nfs/dbraw/zinc/63/24/02/937632402.db2.gz OBQXVFRTUWUXCT-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2F)CC2CC2)CC1 ZINC001462434173 937640555 /nfs/dbraw/zinc/64/05/55/937640555.db2.gz CYNSEYBSBLCCLD-UHFFFAOYSA-N 2 1 290.426 3.380 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C12CCCC2 ZINC001462407359 937638761 /nfs/dbraw/zinc/63/87/61/937638761.db2.gz WINOYFQGBPBKKI-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)OC ZINC001307531430 932967154 /nfs/dbraw/zinc/96/71/54/932967154.db2.gz UBAGUMBYBDMRAW-SJLPKXTDSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC001307697845 932987946 /nfs/dbraw/zinc/98/79/46/932987946.db2.gz WCCNOOCEZOMDCM-UHFFFAOYSA-N 2 1 274.452 3.393 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC001307697845 932987952 /nfs/dbraw/zinc/98/79/52/932987952.db2.gz WCCNOOCEZOMDCM-UHFFFAOYSA-N 2 1 274.452 3.393 20 0 CGADMP CC[C@@H](C)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001307733915 932994014 /nfs/dbraw/zinc/99/40/14/932994014.db2.gz HNGVBTAQGHNGAY-JFRXWTBNSA-N 2 1 286.463 3.485 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307733915 932994017 /nfs/dbraw/zinc/99/40/17/932994017.db2.gz HNGVBTAQGHNGAY-JFRXWTBNSA-N 2 1 286.463 3.485 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307733915 932994022 /nfs/dbraw/zinc/99/40/22/932994022.db2.gz HNGVBTAQGHNGAY-JFRXWTBNSA-N 2 1 286.463 3.485 20 0 CGADMP C[C@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC001307874929 933013873 /nfs/dbraw/zinc/01/38/73/933013873.db2.gz DTFGRCQJYCPVDQ-OAHLLOKOSA-N 2 1 275.440 3.276 20 0 CGADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001462651638 937656611 /nfs/dbraw/zinc/65/66/11/937656611.db2.gz ASCSISJGYLYLDQ-FHWLQOOXSA-N 2 1 286.463 3.411 20 0 CGADMP CCOc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001308292850 933089253 /nfs/dbraw/zinc/08/92/53/933089253.db2.gz OPKFYLGPTQKDHA-CVEARBPZSA-N 2 1 294.414 3.187 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC3CCC2CC3)CC1(C)C ZINC001308445584 933112556 /nfs/dbraw/zinc/11/25/56/933112556.db2.gz NDHJILNQTGJBAL-QDIHITRGSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cnc(-c2ccsc2)s1)[NH+](C)C ZINC001308478285 933117320 /nfs/dbraw/zinc/11/73/20/933117320.db2.gz HECZHRRNFXRBJO-NSHDSACASA-N 2 1 295.477 3.301 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001308554333 933132016 /nfs/dbraw/zinc/13/20/16/933132016.db2.gz OGWOHJQVQZEZOB-OQIJWPOYSA-N 2 1 286.463 3.185 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC(C)(C)Oc1ccccc1 ZINC001308586157 933138293 /nfs/dbraw/zinc/13/82/93/933138293.db2.gz VUIKOSQOTRCGCB-MRXNPFEDSA-N 2 1 290.451 3.118 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC(C)(C)Oc1ccccc1 ZINC001308586157 933138296 /nfs/dbraw/zinc/13/82/96/933138296.db2.gz VUIKOSQOTRCGCB-MRXNPFEDSA-N 2 1 290.451 3.118 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC(C)(C)Oc1ccccc1 ZINC001308586157 933138300 /nfs/dbraw/zinc/13/83/00/933138300.db2.gz VUIKOSQOTRCGCB-MRXNPFEDSA-N 2 1 290.451 3.118 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC001308751460 933170513 /nfs/dbraw/zinc/17/05/13/933170513.db2.gz RQFPIPAEMGYDSP-LVQVYYBASA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC001308751460 933170516 /nfs/dbraw/zinc/17/05/16/933170516.db2.gz RQFPIPAEMGYDSP-LVQVYYBASA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC001308797283 933178782 /nfs/dbraw/zinc/17/87/82/933178782.db2.gz WJMCIANRAHMZRW-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC001308797283 933178785 /nfs/dbraw/zinc/17/87/85/933178785.db2.gz WJMCIANRAHMZRW-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001308882869 933196160 /nfs/dbraw/zinc/19/61/60/933196160.db2.gz BOBWRYNBYAHPGN-IBGZPJMESA-N 2 1 286.463 3.249 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCC34CCCCC4)[C@H]2C1 ZINC001308985035 933223020 /nfs/dbraw/zinc/22/30/20/933223020.db2.gz VYGZNAREOZFYRV-QAETUUGQSA-N 2 1 276.468 3.419 20 0 CGADMP CCNc1ccccc1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001474755603 934154133 /nfs/dbraw/zinc/15/41/33/934154133.db2.gz ORJITDDABICNMW-UHFFFAOYSA-N 2 1 289.467 3.471 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC001322474269 934303960 /nfs/dbraw/zinc/30/39/60/934303960.db2.gz CJWQXROJHRHKSE-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001325597628 934920284 /nfs/dbraw/zinc/92/02/84/934920284.db2.gz JGBDVDIVGYUZBU-VNQPRFMTSA-N 2 1 264.413 3.063 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)c2ccccc21 ZINC001325718277 934924624 /nfs/dbraw/zinc/92/46/24/934924624.db2.gz RRXUSRIIABVAPW-MOPGFXCFSA-N 2 1 278.399 3.410 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC001329068957 935183110 /nfs/dbraw/zinc/18/31/10/935183110.db2.gz WIHOJYANUXIIKX-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329499053 935221389 /nfs/dbraw/zinc/22/13/89/935221389.db2.gz NBVHLLYZXHPWEQ-UHFFFAOYSA-N 2 1 278.362 3.185 20 0 CGADMP c1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530198 935293247 /nfs/dbraw/zinc/29/32/47/935293247.db2.gz WEWYUQSARCYTSH-DNVCBOLYSA-N 2 1 299.462 3.272 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001330585243 935299436 /nfs/dbraw/zinc/29/94/36/935299436.db2.gz SZCLPVJWTYRYDQ-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC001331772086 935409447 /nfs/dbraw/zinc/40/94/47/935409447.db2.gz VOKSUQCMCAUOES-UHFFFAOYSA-N 2 1 287.432 3.164 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)C[C@H]2C1 ZINC001333890603 936074174 /nfs/dbraw/zinc/07/41/74/936074174.db2.gz FEJOLQWLZWGBMT-KBAYOESNSA-N 2 1 297.446 3.330 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCCC(F)(F)F ZINC001335072828 936128593 /nfs/dbraw/zinc/12/85/93/936128593.db2.gz PXDNQXQAIKHVFJ-NSHDSACASA-N 2 1 254.340 3.039 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCCC(F)(F)F ZINC001335072828 936128595 /nfs/dbraw/zinc/12/85/95/936128595.db2.gz PXDNQXQAIKHVFJ-NSHDSACASA-N 2 1 254.340 3.039 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001338073949 936305189 /nfs/dbraw/zinc/30/51/89/936305189.db2.gz FEWAJBHUUCDJKR-CGTJXYLNSA-N 2 1 274.452 3.388 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1Cl ZINC001474301435 937849258 /nfs/dbraw/zinc/84/92/58/937849258.db2.gz KHFVTNDDNXCNAX-OFQRWUPVSA-N 2 1 278.827 3.078 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC001474303128 937849961 /nfs/dbraw/zinc/84/99/61/937849961.db2.gz QYEFVQQOTVENIL-IUIKQTSFSA-N 2 1 288.366 3.002 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC001474303128 937849963 /nfs/dbraw/zinc/84/99/63/937849963.db2.gz QYEFVQQOTVENIL-IUIKQTSFSA-N 2 1 288.366 3.002 20 0 CGADMP Cc1cc(C)cc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC001474320524 937850970 /nfs/dbraw/zinc/85/09/70/937850970.db2.gz IKYOXVIFSJHPMW-MOPGFXCFSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001474320524 937850972 /nfs/dbraw/zinc/85/09/72/937850972.db2.gz IKYOXVIFSJHPMW-MOPGFXCFSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001474320524 937850974 /nfs/dbraw/zinc/85/09/74/937850974.db2.gz IKYOXVIFSJHPMW-MOPGFXCFSA-N 2 1 286.463 3.262 20 0 CGADMP CC1(C)CC[N@H+](Cc2cc3cnccc3o2)CC(C)(C)[NH2+]1 ZINC001474755143 937879415 /nfs/dbraw/zinc/87/94/15/937879415.db2.gz IBUPTAAOMURQQG-UHFFFAOYSA-N 2 1 287.407 3.180 20 0 CGADMP CC1(C)CC[N@@H+](Cc2cc3cnccc3o2)CC(C)(C)[NH2+]1 ZINC001474755143 937879417 /nfs/dbraw/zinc/87/94/17/937879417.db2.gz IBUPTAAOMURQQG-UHFFFAOYSA-N 2 1 287.407 3.180 20 0 CGADMP Cc1nc([C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)sc1C ZINC001549776735 938159490 /nfs/dbraw/zinc/15/94/90/938159490.db2.gz UCZFJHCGIZVOMJ-OAHLLOKOSA-N 2 1 293.480 3.287 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129721 938163219 /nfs/dbraw/zinc/16/32/19/938163219.db2.gz VLUMOIDXUWKFQE-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129721 938163220 /nfs/dbraw/zinc/16/32/20/938163220.db2.gz VLUMOIDXUWKFQE-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129721 938163221 /nfs/dbraw/zinc/16/32/21/938163221.db2.gz VLUMOIDXUWKFQE-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542418 938167825 /nfs/dbraw/zinc/16/78/25/938167825.db2.gz QVECOKHFLKBDCI-HUUCEWRRSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542418 938167826 /nfs/dbraw/zinc/16/78/26/938167826.db2.gz QVECOKHFLKBDCI-HUUCEWRRSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542418 938167827 /nfs/dbraw/zinc/16/78/27/938167827.db2.gz QVECOKHFLKBDCI-HUUCEWRRSA-N 2 1 280.362 3.008 20 0 CGADMP c1coc([C@H]2C[C@@H]2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001551380874 938180951 /nfs/dbraw/zinc/18/09/51/938180951.db2.gz SCVOWKGZEMTDBD-BDXSIMOUSA-N 2 1 296.414 3.466 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC001552928817 938195243 /nfs/dbraw/zinc/19/52/43/938195243.db2.gz PRBJVAYQBQHQNP-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC001552928817 938195244 /nfs/dbraw/zinc/19/52/44/938195244.db2.gz PRBJVAYQBQHQNP-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1c(F)cccc1Cl ZINC001559917769 938238653 /nfs/dbraw/zinc/23/86/53/938238653.db2.gz PBGBNJHCRUSMOL-UHFFFAOYSA-N 2 1 298.833 3.486 20 0 CGADMP CC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001560153739 938245198 /nfs/dbraw/zinc/24/51/98/938245198.db2.gz OQAGZGYIFGWPIA-NXHRZFHOSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001560153739 938245199 /nfs/dbraw/zinc/24/51/99/938245199.db2.gz OQAGZGYIFGWPIA-NXHRZFHOSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001560153739 938245200 /nfs/dbraw/zinc/24/52/00/938245200.db2.gz OQAGZGYIFGWPIA-NXHRZFHOSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001560155206 938245391 /nfs/dbraw/zinc/24/53/91/938245391.db2.gz FINVGGXISOPLRE-HUUCEWRRSA-N 2 1 299.393 3.492 20 0 CGADMP CCNc1ccccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001560251602 938249348 /nfs/dbraw/zinc/24/93/48/938249348.db2.gz UVAYPQZSXPUHNG-UHFFFAOYSA-N 2 1 289.467 3.330 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC/C=C/c1cccc(F)c1 ZINC001560531155 938261885 /nfs/dbraw/zinc/26/18/85/938261885.db2.gz VUNKOPSGYZIUPS-BIENSFFJSA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC/C=C/c1cccc(F)c1 ZINC001560531155 938261886 /nfs/dbraw/zinc/26/18/86/938261886.db2.gz VUNKOPSGYZIUPS-BIENSFFJSA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC/C=C\c1cccc(F)c1 ZINC001560531156 938261922 /nfs/dbraw/zinc/26/19/22/938261922.db2.gz VUNKOPSGYZIUPS-GMNBZTITSA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC/C=C\c1cccc(F)c1 ZINC001560531156 938261923 /nfs/dbraw/zinc/26/19/23/938261923.db2.gz VUNKOPSGYZIUPS-GMNBZTITSA-N 2 1 276.399 3.301 20 0 CGADMP CC[C@H]1CCCC[C@@H]1C[N@@H+](CC)CCC[NH+](C)C ZINC001560811284 938277113 /nfs/dbraw/zinc/27/71/13/938277113.db2.gz DWZIZHPONHORKI-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc2scnc2c1 ZINC001560814147 938277552 /nfs/dbraw/zinc/27/75/52/938277552.db2.gz QNZJIWLBXDIUHQ-DOMZBBRYSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2scnc2c1 ZINC001560814147 938277555 /nfs/dbraw/zinc/27/75/55/938277555.db2.gz QNZJIWLBXDIUHQ-DOMZBBRYSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2scnc2c1 ZINC001560814147 938277556 /nfs/dbraw/zinc/27/75/56/938277556.db2.gz QNZJIWLBXDIUHQ-DOMZBBRYSA-N 2 1 289.448 3.068 20 0 CGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001560948253 938285758 /nfs/dbraw/zinc/28/57/58/938285758.db2.gz RJZFLJHKNCHFNH-NQNKBUKLSA-N 2 1 264.457 3.085 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCC3CCCCCC3)[C@@H]2C1 ZINC001561052674 938292154 /nfs/dbraw/zinc/29/21/54/938292154.db2.gz IGRVBUNQWGBXKF-GVDBMIGSSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001575421683 962380974 /nfs/dbraw/zinc/38/09/74/962380974.db2.gz BFSGHMRMYBLRJC-CABCVRRESA-N 2 1 280.843 3.360 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576301680 962447233 /nfs/dbraw/zinc/44/72/33/962447233.db2.gz QMMAGONDFKGXKI-AWEZNQCLSA-N 2 1 272.436 3.168 20 0 CGADMP CCC1(CC)C[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)CCS1 ZINC001577217847 962513472 /nfs/dbraw/zinc/51/34/72/962513472.db2.gz SEAWGLBCXJPDMH-SHTZXODSSA-N 2 1 284.513 3.359 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)CC1 ZINC001577204790 962517036 /nfs/dbraw/zinc/51/70/36/962517036.db2.gz ARRLJPSDVKKHFP-LFOPHDTNSA-N 2 1 252.446 3.321 20 0 CGADMP CCC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC001577358406 962522545 /nfs/dbraw/zinc/52/25/45/962522545.db2.gz YDXNHVGXHLIZMG-VVLHAWIVSA-N 2 1 258.409 3.053 20 0 CGADMP CC[C@H]1C[N@H+](Cc2c(C)cccc2Cl)CC[C@@H]1[NH3+] ZINC001577279523 962528894 /nfs/dbraw/zinc/52/88/94/962528894.db2.gz JTFHUOWYLFLSRE-WFASDCNBSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2c(C)cccc2Cl)CC[C@@H]1[NH3+] ZINC001577279523 962528899 /nfs/dbraw/zinc/52/88/99/962528899.db2.gz JTFHUOWYLFLSRE-WFASDCNBSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]CCc1ccc(C(C)C)cc1 ZINC001578241896 962577486 /nfs/dbraw/zinc/57/74/86/962577486.db2.gz RCULMKVZIJCURV-SJORKVTESA-N 2 1 260.425 3.083 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1F)C1CCC1 ZINC001579454426 962626266 /nfs/dbraw/zinc/62/62/66/962626266.db2.gz BDLPEDZEPFYDKT-HIFRSBDPSA-N 2 1 276.399 3.036 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1F)C1CCC1 ZINC001579454426 962626277 /nfs/dbraw/zinc/62/62/77/962626277.db2.gz BDLPEDZEPFYDKT-HIFRSBDPSA-N 2 1 276.399 3.036 20 0 CGADMP Cc1cc([C@@H]2CCCC[N@H+]2C[C@H]2CC[C@H](C[NH3+])CC2)[nH]n1 ZINC001579589789 962635439 /nfs/dbraw/zinc/63/54/39/962635439.db2.gz COYHBHZXVRIQCV-ZOBUZTSGSA-N 2 1 290.455 3.010 20 0 CGADMP Cc1cc([C@@H]2CCCC[N@@H+]2C[C@H]2CC[C@H](C[NH3+])CC2)n[nH]1 ZINC001579589789 962635447 /nfs/dbraw/zinc/63/54/47/962635447.db2.gz COYHBHZXVRIQCV-ZOBUZTSGSA-N 2 1 290.455 3.010 20 0 CGADMP Cc1cc([C@@H]2CCCC[N@H+]2C[C@H]2CC[C@H](C[NH3+])CC2)n[nH]1 ZINC001579589789 962635455 /nfs/dbraw/zinc/63/54/55/962635455.db2.gz COYHBHZXVRIQCV-ZOBUZTSGSA-N 2 1 290.455 3.010 20 0 CGADMP Cc1ccc(F)cc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC001579708288 962659873 /nfs/dbraw/zinc/65/98/73/962659873.db2.gz LFKDDCIAVFPYEE-MRXNPFEDSA-N 2 1 264.388 3.131 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@]1(C[NH3+])CCCC[C@H]1C ZINC001579754882 962670700 /nfs/dbraw/zinc/67/07/00/962670700.db2.gz LTEJFDJFCIRXIR-NVXWUHKLSA-N 2 1 260.425 3.301 20 0 CGADMP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001580033260 962691588 /nfs/dbraw/zinc/69/15/88/962691588.db2.gz FAQJGTIEGNQUJK-RCCFBDPRSA-N 2 1 288.410 3.147 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000651670479 398265837 /nfs/dbraw/zinc/26/58/37/398265837.db2.gz KJDAIIRPWGRIQE-HZPDHXFCSA-N 2 1 250.430 3.172 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC000621729102 349569866 /nfs/dbraw/zinc/56/98/66/349569866.db2.gz JBGLTJCRKPBXEC-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC000621729102 349569868 /nfs/dbraw/zinc/56/98/68/349569868.db2.gz JBGLTJCRKPBXEC-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC000621729102 349569870 /nfs/dbraw/zinc/56/98/70/349569870.db2.gz JBGLTJCRKPBXEC-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC000621729102 349569871 /nfs/dbraw/zinc/56/98/71/349569871.db2.gz JBGLTJCRKPBXEC-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651680700 398268287 /nfs/dbraw/zinc/26/82/87/398268287.db2.gz OHQUEWKWWUYTJS-XUWVNRHRSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1CCCCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705071 398272061 /nfs/dbraw/zinc/27/20/61/398272061.db2.gz HAHHADNIVXBMEB-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cc3ccccc3s1)C2 ZINC000622003450 349620665 /nfs/dbraw/zinc/62/06/65/349620665.db2.gz ADFLNPAZWHQNPI-BBRMVZONSA-N 2 1 272.417 3.215 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cc3ccccc3s1)C2 ZINC000622003450 349620667 /nfs/dbraw/zinc/62/06/67/349620667.db2.gz ADFLNPAZWHQNPI-BBRMVZONSA-N 2 1 272.417 3.215 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000337951299 214328596 /nfs/dbraw/zinc/32/85/96/214328596.db2.gz RXSUSWOZEDUZDX-OLZOCXBDSA-N 2 1 289.345 3.292 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337987659 214345682 /nfs/dbraw/zinc/34/56/82/214345682.db2.gz GMFNZDNSRNKVRJ-JKSUJKDBSA-N 2 1 261.413 3.140 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337995621 214350642 /nfs/dbraw/zinc/35/06/42/214350642.db2.gz IYRZHXVRTGVHOT-CABCVRRESA-N 2 1 258.425 3.225 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125521499 187189043 /nfs/dbraw/zinc/18/90/43/187189043.db2.gz ILMZCPQOCRSRHS-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125521499 187189044 /nfs/dbraw/zinc/18/90/44/187189044.db2.gz ILMZCPQOCRSRHS-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCn1nccc1C[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000651910461 398304498 /nfs/dbraw/zinc/30/44/98/398304498.db2.gz USUGMYHXOLASCP-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP CCn1nccc1C[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000651910461 398304501 /nfs/dbraw/zinc/30/45/01/398304501.db2.gz USUGMYHXOLASCP-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CCOC[C@@H]1C)C1CCCCC1 ZINC000651910532 398305638 /nfs/dbraw/zinc/30/56/38/398305638.db2.gz XPWDJOJXRBYMIW-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338014992 214362553 /nfs/dbraw/zinc/36/25/53/214362553.db2.gz IUPNZOPOGXEKKE-HIFRSBDPSA-N 2 1 251.418 3.386 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473177 529453076 /nfs/dbraw/zinc/45/30/76/529453076.db2.gz QOMGZYXLOOQDLT-UONOGXRCSA-N 2 1 252.789 3.118 20 0 CGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cncc(F)c1 ZINC000125971390 187208058 /nfs/dbraw/zinc/20/80/58/187208058.db2.gz LXPOMRNXMDNLJN-SWLSCSKDSA-N 2 1 281.419 3.238 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125947232 187206844 /nfs/dbraw/zinc/20/68/44/187206844.db2.gz REIOQOOMCZKCKL-JKSUJKDBSA-N 2 1 290.451 3.466 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000125978122 187208956 /nfs/dbraw/zinc/20/89/56/187208956.db2.gz MEJXULAPVQZJDZ-CABCVRRESA-N 2 1 264.413 3.359 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000125978122 187208957 /nfs/dbraw/zinc/20/89/57/187208957.db2.gz MEJXULAPVQZJDZ-CABCVRRESA-N 2 1 264.413 3.359 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000423458732 529568482 /nfs/dbraw/zinc/56/84/82/529568482.db2.gz HDALFFALVWNARO-OLZOCXBDSA-N 2 1 285.229 3.227 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423477945 529568937 /nfs/dbraw/zinc/56/89/37/529568937.db2.gz UHVNDMCZXAXHJL-PRHODGIISA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(OC)c(OC)c1 ZINC000423290122 529590438 /nfs/dbraw/zinc/59/04/38/529590438.db2.gz ZBCNRIZBTNIEFG-AWEZNQCLSA-N 2 1 294.439 3.262 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cc(Cl)ccc1OC ZINC000423267438 529610326 /nfs/dbraw/zinc/61/03/26/529610326.db2.gz FABZTIARANPJBM-FZMZJTMJSA-N 2 1 284.831 3.245 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000268853260 282206166 /nfs/dbraw/zinc/20/61/66/282206166.db2.gz KSQDLJTYLZLENC-HNNXBMFYSA-N 2 1 287.407 3.478 20 0 CGADMP Cc1cc2cc(C[NH2+]CCc3c[nH+]cn3C)oc2cc1C ZINC000623086381 349757414 /nfs/dbraw/zinc/75/74/14/349757414.db2.gz MZSAWNLKKZBQSI-UHFFFAOYSA-N 2 1 283.375 3.115 20 0 CGADMP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1Cl ZINC000623362756 349790192 /nfs/dbraw/zinc/79/01/92/349790192.db2.gz INLGUHCOMBMZME-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000369465798 529662012 /nfs/dbraw/zinc/66/20/12/529662012.db2.gz VSCHTBQKEZSJOK-DOMZBBRYSA-N 2 1 291.345 3.217 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(C)ccc1OC ZINC000423374362 529671756 /nfs/dbraw/zinc/67/17/56/529671756.db2.gz JUNYKNINPULORU-YCPHGPKFSA-N 2 1 276.424 3.185 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)CC1(C)C ZINC000623410980 349802093 /nfs/dbraw/zinc/80/20/93/349802093.db2.gz ORFYVNSBBGRKCV-HUUCEWRRSA-N 2 1 288.435 3.015 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CC1(C)C ZINC000623412948 349802124 /nfs/dbraw/zinc/80/21/24/349802124.db2.gz FCLBNEPSANDYJS-HZPDHXFCSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623414713 349802506 /nfs/dbraw/zinc/80/25/06/349802506.db2.gz NISGNSFOPRMUJC-KMFMINBZSA-N 2 1 272.436 3.382 20 0 CGADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623417066 349803754 /nfs/dbraw/zinc/80/37/54/349803754.db2.gz RBPNRSIVXXGMNX-HOCLYGCPSA-N 2 1 290.451 3.089 20 0 CGADMP CCc1ccc([C@@H](CC)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423415885 529708121 /nfs/dbraw/zinc/70/81/21/529708121.db2.gz FDTQMOIRNJNVFB-QZTJIDSGSA-N 2 1 290.451 3.058 20 0 CGADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623444011 349810667 /nfs/dbraw/zinc/81/06/67/349810667.db2.gz XXENTEODWBPWDN-MRXNPFEDSA-N 2 1 278.415 3.139 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1(C)C ZINC000623453299 349813039 /nfs/dbraw/zinc/81/30/39/349813039.db2.gz IHJCFNSEJOJCKW-JKSUJKDBSA-N 2 1 294.483 3.331 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623505299 349822736 /nfs/dbraw/zinc/82/27/36/349822736.db2.gz XJWHEXRNANJBLL-GOEBONIOSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623505299 349822740 /nfs/dbraw/zinc/82/27/40/349822740.db2.gz XJWHEXRNANJBLL-GOEBONIOSA-N 2 1 288.435 3.281 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506336 349823515 /nfs/dbraw/zinc/82/35/15/349823515.db2.gz NZFAVPNZVORNGB-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2O1 ZINC000623537669 349829175 /nfs/dbraw/zinc/82/91/75/349829175.db2.gz BHUSKEUJXLTIBM-IIAWOOMASA-N 2 1 288.435 3.361 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2O1 ZINC000623537669 349829177 /nfs/dbraw/zinc/82/91/77/349829177.db2.gz BHUSKEUJXLTIBM-IIAWOOMASA-N 2 1 288.435 3.361 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000126898679 187268962 /nfs/dbraw/zinc/26/89/62/187268962.db2.gz LMVDNHJAVKWPFJ-VXGBXAGGSA-N 2 1 266.454 3.215 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623549583 349831388 /nfs/dbraw/zinc/83/13/88/349831388.db2.gz HCFSMVAKGNQJHI-NWDGAFQWSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623570443 349838114 /nfs/dbraw/zinc/83/81/14/349838114.db2.gz SHGJZBHFEPPKMA-KCMWZYNZSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623570443 349838116 /nfs/dbraw/zinc/83/81/16/349838116.db2.gz SHGJZBHFEPPKMA-KCMWZYNZSA-N 2 1 276.468 3.418 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@@H]12 ZINC000351493082 219103558 /nfs/dbraw/zinc/10/35/58/219103558.db2.gz LTGMPWCJOUHVGQ-GUDVDZBRSA-N 2 1 280.415 3.051 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000623657819 349859824 /nfs/dbraw/zinc/85/98/24/349859824.db2.gz ZQXFTWDYAXZLMY-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000623657819 349859828 /nfs/dbraw/zinc/85/98/28/349859828.db2.gz ZQXFTWDYAXZLMY-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000623649341 349855930 /nfs/dbraw/zinc/85/59/30/349855930.db2.gz RKKPYOVECBEJHO-OAHLLOKOSA-N 2 1 289.467 3.130 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000623655434 349856614 /nfs/dbraw/zinc/85/66/14/349856614.db2.gz XOXOKCNHKDPYDQ-INIZCTEOSA-N 2 1 283.419 3.056 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656029 349856797 /nfs/dbraw/zinc/85/67/97/349856797.db2.gz LGTVPRVLSZJCIU-XOQYZJNISA-N 2 1 272.436 3.411 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623654542 349856884 /nfs/dbraw/zinc/85/68/84/349856884.db2.gz CCASDHBXEBKYHL-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623654542 349856885 /nfs/dbraw/zinc/85/68/85/349856885.db2.gz CCASDHBXEBKYHL-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000623657249 349857686 /nfs/dbraw/zinc/85/76/86/349857686.db2.gz MCHIHDFHLRWBEI-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000623656940 349857791 /nfs/dbraw/zinc/85/77/91/349857791.db2.gz GCJKPGNOZYTPKX-NBUZRDOWSA-N 2 1 276.399 3.160 20 0 CGADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000172584616 529995326 /nfs/dbraw/zinc/99/53/26/529995326.db2.gz GNPPGMDOQBZNNT-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP C[N@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000172584616 529995327 /nfs/dbraw/zinc/99/53/27/529995327.db2.gz GNPPGMDOQBZNNT-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP C[NH+](Cc1cccc(OC(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000172584616 529995328 /nfs/dbraw/zinc/99/53/28/529995328.db2.gz GNPPGMDOQBZNNT-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP C[NH+](Cc1cccc(OC(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172584616 529995330 /nfs/dbraw/zinc/99/53/30/529995330.db2.gz GNPPGMDOQBZNNT-AWEZNQCLSA-N 2 1 298.377 3.062 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050698 530064788 /nfs/dbraw/zinc/06/47/88/530064788.db2.gz VSXANGXAQGIHML-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050698 530064789 /nfs/dbraw/zinc/06/47/89/530064789.db2.gz VSXANGXAQGIHML-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050698 530064790 /nfs/dbraw/zinc/06/47/90/530064790.db2.gz VSXANGXAQGIHML-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH2+][C@@H](C)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423401919 530041119 /nfs/dbraw/zinc/04/11/19/530041119.db2.gz WLRGEVPFUFGVHD-HOTGVXAUSA-N 2 1 282.431 3.405 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000414200664 530060995 /nfs/dbraw/zinc/06/09/95/530060995.db2.gz XOEPEVVFANVKMY-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040622904 344963999 /nfs/dbraw/zinc/96/39/99/344963999.db2.gz HHLCTLVTCPOUSU-INIZCTEOSA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622904 344964001 /nfs/dbraw/zinc/96/40/01/344964001.db2.gz HHLCTLVTCPOUSU-INIZCTEOSA-N 2 1 290.451 3.294 20 0 CGADMP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188361 345244265 /nfs/dbraw/zinc/24/42/65/345244265.db2.gz XBNKIPYTOVRJPN-DLBZAZTESA-N 2 1 258.409 3.102 20 0 CGADMP Cc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188361 345244266 /nfs/dbraw/zinc/24/42/66/345244266.db2.gz XBNKIPYTOVRJPN-DLBZAZTESA-N 2 1 258.409 3.102 20 0 CGADMP COc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)ccc1F ZINC000152513418 232209280 /nfs/dbraw/zinc/20/92/80/232209280.db2.gz AMFIKLUANJPYQL-LBPRGKRZSA-N 2 1 282.403 3.073 20 0 CGADMP CCCC[N@H+](C)CC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000079948282 345660170 /nfs/dbraw/zinc/66/01/70/345660170.db2.gz YAAXOKXFZVLOST-UHFFFAOYSA-N 2 1 290.455 3.042 20 0 CGADMP CCCC[N@@H+](C)CC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000079948282 345660171 /nfs/dbraw/zinc/66/01/71/345660171.db2.gz YAAXOKXFZVLOST-UHFFFAOYSA-N 2 1 290.455 3.042 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000081635266 345716027 /nfs/dbraw/zinc/71/60/27/345716027.db2.gz NSOMYOLFQNKKJG-IBGZPJMESA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000081635266 345716029 /nfs/dbraw/zinc/71/60/29/345716029.db2.gz NSOMYOLFQNKKJG-IBGZPJMESA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000081635266 345716032 /nfs/dbraw/zinc/71/60/32/345716032.db2.gz NSOMYOLFQNKKJG-IBGZPJMESA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541434 345770950 /nfs/dbraw/zinc/77/09/50/345770950.db2.gz VHEKKHXAHHTBTE-BBRMVZONSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000090940961 345797778 /nfs/dbraw/zinc/79/77/78/345797778.db2.gz DXNDBPUSSRBZDJ-CJNGLKHVSA-N 2 1 292.854 3.301 20 0 CGADMP Clc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000168924206 232265414 /nfs/dbraw/zinc/26/54/14/232265414.db2.gz KOBWNALZDHYNLB-HZPDHXFCSA-N 2 1 278.827 3.099 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[NH2+]CC(C)(C)C)CC2)oc1C ZINC000111412445 345949320 /nfs/dbraw/zinc/94/93/20/345949320.db2.gz ISTZXLDXGKIVQM-UHFFFAOYSA-N 2 1 293.455 3.139 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000133027587 346075182 /nfs/dbraw/zinc/07/51/82/346075182.db2.gz DMGAMKABYVKDBR-HNNXBMFYSA-N 2 1 272.436 3.287 20 0 CGADMP c1ccc(Oc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)cc1 ZINC000140723493 346106089 /nfs/dbraw/zinc/10/60/89/346106089.db2.gz KSFZLUWLTBQJOY-UHFFFAOYSA-N 2 1 282.387 3.321 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157561692 346161879 /nfs/dbraw/zinc/16/18/79/346161879.db2.gz XUEGJMDAUXZXKF-AAEUAGOBSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157561692 346161881 /nfs/dbraw/zinc/16/18/81/346161881.db2.gz XUEGJMDAUXZXKF-AAEUAGOBSA-N 2 1 289.810 3.200 20 0 CGADMP CC1(C)CC[NH+](C/C=C/C[N@@H+]2CCC(C)(C)C2)C1 ZINC000173818838 346236388 /nfs/dbraw/zinc/23/63/88/346236388.db2.gz WVTUVRXIELCZJR-AATRIKPKSA-N 2 1 250.430 3.006 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000250497393 346385565 /nfs/dbraw/zinc/38/55/65/346385565.db2.gz JTKQENXSUNAKSV-MCIONIFRSA-N 2 1 292.389 3.427 20 0 CGADMP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251185077 346388019 /nfs/dbraw/zinc/38/80/19/346388019.db2.gz XBNKIPYTOVRJPN-IAGOWNOFSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251185077 346388022 /nfs/dbraw/zinc/38/80/22/346388022.db2.gz XBNKIPYTOVRJPN-IAGOWNOFSA-N 2 1 258.409 3.102 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000594784342 347216963 /nfs/dbraw/zinc/21/69/63/347216963.db2.gz FJCFSFGIGFRIKF-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000624120081 349977007 /nfs/dbraw/zinc/97/70/07/349977007.db2.gz QZESBLRZXJVOKI-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120655 349977331 /nfs/dbraw/zinc/97/73/31/349977331.db2.gz DMTSRJYUVCJJAN-RDJZCZTQSA-N 2 1 292.442 3.468 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122159 349979940 /nfs/dbraw/zinc/97/99/40/349979940.db2.gz KZERSNZLOBFSHA-QWHCGFSZSA-N 2 1 282.453 3.139 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122159 349979941 /nfs/dbraw/zinc/97/99/41/349979941.db2.gz KZERSNZLOBFSHA-QWHCGFSZSA-N 2 1 282.453 3.139 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000624121429 349978126 /nfs/dbraw/zinc/97/81/26/349978126.db2.gz WHIHHVGYWJONSB-CABCVRRESA-N 2 1 288.435 3.099 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000624120767 349978570 /nfs/dbraw/zinc/97/85/70/349978570.db2.gz GTANMWCTAKSQNS-CRAIPNDOSA-N 2 1 290.451 3.468 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376709 215131654 /nfs/dbraw/zinc/13/16/54/215131654.db2.gz JUXJSCGDKSZCSK-HZPDHXFCSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376709 215131657 /nfs/dbraw/zinc/13/16/57/215131657.db2.gz JUXJSCGDKSZCSK-HZPDHXFCSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376709 215131659 /nfs/dbraw/zinc/13/16/59/215131659.db2.gz JUXJSCGDKSZCSK-HZPDHXFCSA-N 2 1 290.426 3.489 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCCC[C@@H]2c2ccncc2)CC[NH2+]1 ZINC000414679361 297251378 /nfs/dbraw/zinc/25/13/78/297251378.db2.gz ZOSLZHATQUVBEF-SOLBZPMBSA-N 2 1 287.451 3.387 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000624122924 349982016 /nfs/dbraw/zinc/98/20/16/349982016.db2.gz BGCVEGYDWBWUOF-RHSMWYFYSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122500 349982088 /nfs/dbraw/zinc/98/20/88/349982088.db2.gz SWMZNWSBTGILKR-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(N(C)C)c2)C[C@H]1C ZINC000608564447 348318009 /nfs/dbraw/zinc/31/80/09/348318009.db2.gz LSUSWJDLEJNAQB-QAPCUYQASA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(N(C)C)c2)C[C@H]1C ZINC000608564447 348318012 /nfs/dbraw/zinc/31/80/12/348318012.db2.gz LSUSWJDLEJNAQB-QAPCUYQASA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(N(C)C)c2)C[C@H]1C ZINC000608564447 348318018 /nfs/dbraw/zinc/31/80/18/348318018.db2.gz LSUSWJDLEJNAQB-QAPCUYQASA-N 2 1 289.467 3.057 20 0 CGADMP Cc1cc(NCC[N@@H+]2CCCC[C@H]2C)c2ccccc2[nH+]1 ZINC000613491180 348610977 /nfs/dbraw/zinc/61/09/77/348610977.db2.gz HLGGGMKOECDYDE-OAHLLOKOSA-N 2 1 283.419 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000358065811 233050871 /nfs/dbraw/zinc/05/08/71/233050871.db2.gz SPNPSNJZUWAUSI-CJNGLKHVSA-N 2 1 296.455 3.238 20 0 CGADMP C[C@H](F)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352014678 219290848 /nfs/dbraw/zinc/29/08/48/219290848.db2.gz NUQFSGUKRJGAAK-DOTOQJQBSA-N 2 1 278.415 3.188 20 0 CGADMP C[C@H](F)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352014678 219290850 /nfs/dbraw/zinc/29/08/50/219290850.db2.gz NUQFSGUKRJGAAK-DOTOQJQBSA-N 2 1 278.415 3.188 20 0 CGADMP C[C@H](F)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352014678 219290852 /nfs/dbraw/zinc/29/08/52/219290852.db2.gz NUQFSGUKRJGAAK-DOTOQJQBSA-N 2 1 278.415 3.188 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359227223 233282586 /nfs/dbraw/zinc/28/25/86/233282586.db2.gz VVOFKHGKCRKIHT-GFCCVEGCSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+](Cc1cc(C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062280 350254522 /nfs/dbraw/zinc/25/45/22/350254522.db2.gz NTLKBXPIKHQMMW-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP CC[N@@H+](Cc1cc(C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062280 350254526 /nfs/dbraw/zinc/25/45/26/350254526.db2.gz NTLKBXPIKHQMMW-UHFFFAOYSA-N 2 1 287.407 3.067 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000626061775 350254656 /nfs/dbraw/zinc/25/46/56/350254656.db2.gz UTGHULUIUSVAFI-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP COC1(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCCC1 ZINC000359973054 233405198 /nfs/dbraw/zinc/40/51/98/233405198.db2.gz ZXWPMAHFSZGILG-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H](C)C1CC(F)(F)C1)C(C)C ZINC000628198898 350435959 /nfs/dbraw/zinc/43/59/59/350435959.db2.gz QGNWZMCJLGUWOA-LBPRGKRZSA-N 2 1 262.388 3.129 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628202674 350439823 /nfs/dbraw/zinc/43/98/23/350439823.db2.gz CYAZJTILXXRYNV-AWEZNQCLSA-N 2 1 291.439 3.154 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628210058 350441825 /nfs/dbraw/zinc/44/18/25/350441825.db2.gz FOODHFTZYXQUBJ-DLBZAZTESA-N 2 1 274.452 3.420 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2cc[nH]c2c1 ZINC000628279899 350475350 /nfs/dbraw/zinc/47/53/50/350475350.db2.gz GJXLZCBSTLRHKR-UHFFFAOYSA-N 2 1 273.424 3.332 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280853 350476451 /nfs/dbraw/zinc/47/64/51/350476451.db2.gz MIEQSVRIWDDHIA-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280853 350476452 /nfs/dbraw/zinc/47/64/52/350476452.db2.gz MIEQSVRIWDDHIA-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280853 350476453 /nfs/dbraw/zinc/47/64/53/350476453.db2.gz MIEQSVRIWDDHIA-AEFFLSMTSA-N 2 1 283.419 3.084 20 0 CGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1Cl ZINC000628280706 350476679 /nfs/dbraw/zinc/47/66/79/350476679.db2.gz CVJBAICPCHJQSW-DOMZBBRYSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1Cl ZINC000628280706 350476681 /nfs/dbraw/zinc/47/66/81/350476681.db2.gz CVJBAICPCHJQSW-DOMZBBRYSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000628280706 350476686 /nfs/dbraw/zinc/47/66/86/350476686.db2.gz CVJBAICPCHJQSW-DOMZBBRYSA-N 2 1 296.842 3.121 20 0 CGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000628280706 350476691 /nfs/dbraw/zinc/47/66/91/350476691.db2.gz CVJBAICPCHJQSW-DOMZBBRYSA-N 2 1 296.842 3.121 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628287923 350479172 /nfs/dbraw/zinc/47/91/72/350479172.db2.gz SMUBBYRVMUCNJY-RYUDHWBXSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628287923 350479174 /nfs/dbraw/zinc/47/91/74/350479174.db2.gz SMUBBYRVMUCNJY-RYUDHWBXSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628425561 350537040 /nfs/dbraw/zinc/53/70/40/350537040.db2.gz ORAWUWXPKPGKOK-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000360246439 282710750 /nfs/dbraw/zinc/71/07/50/282710750.db2.gz VCJNBFKOOIGFQJ-RYUDHWBXSA-N 2 1 278.362 3.039 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)nc2C)CC[C@H]1[NH3+] ZINC000629527786 350703221 /nfs/dbraw/zinc/70/32/21/350703221.db2.gz GADSEOUGINLTRB-GDBMZVCRSA-N 2 1 275.440 3.073 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000629527502 350703340 /nfs/dbraw/zinc/70/33/40/350703340.db2.gz XFJJVRWDBVGNJX-WCXIOVBPSA-N 2 1 258.409 3.053 20 0 CGADMP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544386 350709596 /nfs/dbraw/zinc/70/95/96/350709596.db2.gz LWXAERLUASCHRF-IMJJTQAJSA-N 2 1 278.465 3.143 20 0 CGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629575277 350713649 /nfs/dbraw/zinc/71/36/49/350713649.db2.gz NNRKSXCUKFKTDD-CJNGLKHVSA-N 2 1 276.399 3.003 20 0 CGADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000629565295 350713767 /nfs/dbraw/zinc/71/37/67/350713767.db2.gz FKABTKAMQUXLDD-UHFFFAOYSA-N 2 1 298.430 3.021 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000629515095 350700127 /nfs/dbraw/zinc/70/01/27/350700127.db2.gz XLYGUEDPXUXFNP-INIZCTEOSA-N 2 1 277.456 3.319 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000629515095 350700131 /nfs/dbraw/zinc/70/01/31/350700131.db2.gz XLYGUEDPXUXFNP-INIZCTEOSA-N 2 1 277.456 3.319 20 0 CGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000631636819 351101257 /nfs/dbraw/zinc/10/12/57/351101257.db2.gz IMKCZIRAUVJBKX-KSSFIOAISA-N 2 1 288.435 3.004 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839653 351150778 /nfs/dbraw/zinc/15/07/78/351150778.db2.gz JCCRRGRJPQWTKJ-UXIGCNINSA-N 2 1 266.816 3.318 20 0 CGADMP c1cnc2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000634688093 351573494 /nfs/dbraw/zinc/57/34/94/351573494.db2.gz IDGADFWADIWSSK-RBUKOAKNSA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000634688093 351573496 /nfs/dbraw/zinc/57/34/96/351573496.db2.gz IDGADFWADIWSSK-RBUKOAKNSA-N 2 1 295.430 3.341 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000291475169 198031656 /nfs/dbraw/zinc/03/16/56/198031656.db2.gz PTPDXUARZCRLAE-CJNGLKHVSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cccc(Cl)c2)CC[N@H+]1C ZINC000291475169 198031658 /nfs/dbraw/zinc/03/16/58/198031658.db2.gz PTPDXUARZCRLAE-CJNGLKHVSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2cccc(Cl)c2)CC[NH+]1C ZINC000291475169 198031659 /nfs/dbraw/zinc/03/16/59/198031659.db2.gz PTPDXUARZCRLAE-CJNGLKHVSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cccc(Cl)c2)CC[NH+]1C ZINC000291475169 198031661 /nfs/dbraw/zinc/03/16/61/198031661.db2.gz PTPDXUARZCRLAE-CJNGLKHVSA-N 2 1 280.843 3.297 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCCC34CC4)CC[NH2+]2)cc1 ZINC000634998229 351620281 /nfs/dbraw/zinc/62/02/81/351620281.db2.gz CISXYNOKPTVNGE-YESZJQIVSA-N 2 1 270.420 3.402 20 0 CGADMP Cc1ncc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000635005535 351624044 /nfs/dbraw/zinc/62/40/44/351624044.db2.gz JDTCKWYDWHUWLC-MBNYWOFBSA-N 2 1 281.469 3.413 20 0 CGADMP Cc1ccccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339846707 215363218 /nfs/dbraw/zinc/36/32/18/215363218.db2.gz RWHJIQVZPJDBNC-GOSISDBHSA-N 2 1 272.436 3.159 20 0 CGADMP COC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122243533 187022517 /nfs/dbraw/zinc/02/25/17/187022517.db2.gz XCVQTBRJCICNQK-ZDUSSCGKSA-N 2 1 287.407 3.256 20 0 CGADMP COc1cccc(CCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123138333 187073573 /nfs/dbraw/zinc/07/35/73/187073573.db2.gz LQZYXZVBGRFUJR-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123138333 187073574 /nfs/dbraw/zinc/07/35/74/187073574.db2.gz LQZYXZVBGRFUJR-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123138333 187073575 /nfs/dbraw/zinc/07/35/75/187073575.db2.gz LQZYXZVBGRFUJR-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP COc1cccc(CCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123138333 187073576 /nfs/dbraw/zinc/07/35/76/187073576.db2.gz LQZYXZVBGRFUJR-NVXWUHKLSA-N 2 1 290.451 3.042 20 0 CGADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCCCC1 ZINC000122701726 187046693 /nfs/dbraw/zinc/04/66/93/187046693.db2.gz JURBLFBDEWASNA-UHFFFAOYSA-N 2 1 294.483 3.191 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(OC)ccc3ccccc32)C1 ZINC000124169841 187124924 /nfs/dbraw/zinc/12/49/24/187124924.db2.gz LWRYRERNPKSMHD-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000123582722 187099624 /nfs/dbraw/zinc/09/96/24/187099624.db2.gz AKPXQXNRXQWNBF-CQSZACIVSA-N 2 1 272.392 3.445 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000271500635 191177156 /nfs/dbraw/zinc/17/71/56/191177156.db2.gz LUTLZLULTOXEEN-MZMPZRCHSA-N 2 1 299.418 3.135 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000364681596 234060640 /nfs/dbraw/zinc/06/06/40/234060640.db2.gz JCAXZCLNCBPFPF-RDJZCZTQSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000364681596 234060642 /nfs/dbraw/zinc/06/06/42/234060642.db2.gz JCAXZCLNCBPFPF-RDJZCZTQSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000152397252 188015985 /nfs/dbraw/zinc/01/59/85/188015985.db2.gz NIIZQDZXRJGAIB-HOTGVXAUSA-N 2 1 272.436 3.438 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000271664687 191266372 /nfs/dbraw/zinc/26/63/72/191266372.db2.gz BHPKFTUEGXZJGE-UHFFFAOYSA-N 2 1 293.361 3.385 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000152951800 188054925 /nfs/dbraw/zinc/05/49/25/188054925.db2.gz VNAUBWHAPZQMRS-BQFCYCMXSA-N 2 1 290.451 3.082 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000153105632 188065055 /nfs/dbraw/zinc/06/50/55/188065055.db2.gz VZYGDKBRGWIEPZ-SUMWQHHRSA-N 2 1 285.391 3.010 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000156417237 188261077 /nfs/dbraw/zinc/26/10/77/188261077.db2.gz JPSSPIWJYXWXFX-KSSFIOAISA-N 2 1 299.418 3.400 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336433982 213295597 /nfs/dbraw/zinc/29/55/97/213295597.db2.gz XALIFMBGPJXNGI-OAHLLOKOSA-N 2 1 258.409 3.308 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000271868190 191378882 /nfs/dbraw/zinc/37/88/82/191378882.db2.gz LYTKJWIKGYERBP-RTBURBONSA-N 2 1 284.447 3.249 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414176591 235354232 /nfs/dbraw/zinc/35/42/32/235354232.db2.gz JEBIKKJSKVXIMK-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1cc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)oc1C ZINC000414163910 235351485 /nfs/dbraw/zinc/35/14/85/235351485.db2.gz HBIIWPCCMZNUAJ-LBPRGKRZSA-N 2 1 269.348 3.395 20 0 CGADMP COCC[NH+]1CCC([NH2+]CC2(C)CCC(C)(C)CC2)CC1 ZINC000414251740 235373699 /nfs/dbraw/zinc/37/36/99/235373699.db2.gz SDZUBZCFLNOVLZ-UHFFFAOYSA-N 2 1 296.499 3.293 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCCC2)[C@H]2CCC[C@H]21 ZINC000513656584 283135065 /nfs/dbraw/zinc/13/50/65/283135065.db2.gz VMRHHKSWJOWRPT-OWCLPIDISA-N 2 1 250.430 3.029 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2s1 ZINC000336350154 213198931 /nfs/dbraw/zinc/19/89/31/213198931.db2.gz IUJOYVYYLOPMSX-FZMZJTMJSA-N 2 1 289.448 3.177 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772472 235460810 /nfs/dbraw/zinc/46/08/10/235460810.db2.gz BUQLWKFSLZTLPS-CVEARBPZSA-N 2 1 284.403 3.254 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000123650119 138369100 /nfs/dbraw/zinc/36/91/00/138369100.db2.gz VEDIHIPODIUQDJ-AWEZNQCLSA-N 2 1 254.805 3.145 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000111695550 138364596 /nfs/dbraw/zinc/36/45/96/138364596.db2.gz GCXHJOFCKBBYAK-GDBMZVCRSA-N 2 1 268.404 3.399 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[NH+]1CCCC1 ZINC000129254382 138396701 /nfs/dbraw/zinc/39/67/01/138396701.db2.gz NWHLGSJFFQMOPJ-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287790 236024423 /nfs/dbraw/zinc/02/44/23/236024423.db2.gz OOPREMQDKWEXKF-SECBINFHSA-N 2 1 269.458 3.137 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423320271 236037126 /nfs/dbraw/zinc/03/71/26/236037126.db2.gz MGNFAOALZFADAU-SKDRFNHKSA-N 2 1 281.469 3.137 20 0 CGADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000423342267 236044497 /nfs/dbraw/zinc/04/44/97/236044497.db2.gz YTVGFFDUKFDGFO-HIFRSBDPSA-N 2 1 274.433 3.277 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423358238 236049113 /nfs/dbraw/zinc/04/91/13/236049113.db2.gz BOQBNGWGQVOCJF-SDBXPKJASA-N 2 1 273.207 3.381 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423443434 236072604 /nfs/dbraw/zinc/07/26/04/236072604.db2.gz KKNCPEDIFDNLDN-DCAQKATOSA-N 2 1 288.407 3.430 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+]CCC[NH2+]C3CC3)oc21 ZINC000423532309 236093369 /nfs/dbraw/zinc/09/33/69/236093369.db2.gz VCPSIMMMAZRROK-GFCCVEGCSA-N 2 1 288.391 3.234 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCCc1ccsc1)CC[NH2+]CC2 ZINC000424292878 236143706 /nfs/dbraw/zinc/14/37/06/236143706.db2.gz ONMCUZAWQWIHDG-AWEZNQCLSA-N 2 1 278.465 3.145 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)on2)cc1 ZINC000262562540 138562525 /nfs/dbraw/zinc/56/25/25/138562525.db2.gz VVTDSVZMFIMCRV-INIZCTEOSA-N 2 1 299.418 3.224 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)on2)cc1 ZINC000262562540 138562526 /nfs/dbraw/zinc/56/25/26/138562526.db2.gz VVTDSVZMFIMCRV-INIZCTEOSA-N 2 1 299.418 3.224 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000427896030 236352784 /nfs/dbraw/zinc/35/27/84/236352784.db2.gz UYJQBKMJGFYOTG-QAPCUYQASA-N 2 1 292.442 3.468 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685238 199132827 /nfs/dbraw/zinc/13/28/27/199132827.db2.gz DKEBIKPBFKACEY-XNJGSVPQSA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685238 199132828 /nfs/dbraw/zinc/13/28/28/199132828.db2.gz DKEBIKPBFKACEY-XNJGSVPQSA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685238 199132829 /nfs/dbraw/zinc/13/28/29/199132829.db2.gz DKEBIKPBFKACEY-XNJGSVPQSA-N 2 1 296.405 3.483 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000294685238 199132830 /nfs/dbraw/zinc/13/28/30/199132830.db2.gz DKEBIKPBFKACEY-XNJGSVPQSA-N 2 1 296.405 3.483 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000297560671 200228151 /nfs/dbraw/zinc/22/81/51/200228151.db2.gz QNTCUJJOJXHGKO-MLGOLLRUSA-N 2 1 281.359 3.341 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000093515806 296001410 /nfs/dbraw/zinc/00/14/10/296001410.db2.gz KAKFWFFXNXWFDA-DOTOQJQBSA-N 3 1 295.515 3.150 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000298304963 200390325 /nfs/dbraw/zinc/39/03/25/200390325.db2.gz HTAPOBYAOPUPBR-UHFFFAOYSA-N 2 1 290.426 3.320 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000341969465 216170765 /nfs/dbraw/zinc/17/07/65/216170765.db2.gz PDTZYPMJLHSMCL-YWPYICTPSA-N 2 1 296.455 3.366 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000341969465 216170767 /nfs/dbraw/zinc/17/07/67/216170767.db2.gz PDTZYPMJLHSMCL-YWPYICTPSA-N 2 1 296.455 3.366 20 0 CGADMP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000177947098 189081000 /nfs/dbraw/zinc/08/10/00/189081000.db2.gz GNCQRVOBXUSXAK-LZLYRXPVSA-N 2 1 290.451 3.001 20 0 CGADMP CCC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1F ZINC000422875836 283567087 /nfs/dbraw/zinc/56/70/87/283567087.db2.gz PMYQKCHQFLFILA-ZUZCIYMTSA-N 2 1 268.351 3.004 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000178542232 189125748 /nfs/dbraw/zinc/12/57/48/189125748.db2.gz LQMPEVJHORQOLB-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000178542232 189125749 /nfs/dbraw/zinc/12/57/49/189125749.db2.gz LQMPEVJHORQOLB-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000178542232 189125750 /nfs/dbraw/zinc/12/57/50/189125750.db2.gz LQMPEVJHORQOLB-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178542232 189125751 /nfs/dbraw/zinc/12/57/51/189125751.db2.gz LQMPEVJHORQOLB-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000178707033 189139042 /nfs/dbraw/zinc/13/90/42/189139042.db2.gz ULQFNCYPKZLXQF-HUUCEWRRSA-N 2 1 271.408 3.487 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC000179111129 189170590 /nfs/dbraw/zinc/17/05/90/189170590.db2.gz YDDAHRPSEYGCDO-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC000179111129 189170591 /nfs/dbraw/zinc/17/05/91/189170591.db2.gz YDDAHRPSEYGCDO-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC000180169802 189241019 /nfs/dbraw/zinc/24/10/19/189241019.db2.gz QMXZTFBQWGONOM-LBPRGKRZSA-N 2 1 275.371 3.065 20 0 CGADMP COc1ccccc1CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182533285 189327159 /nfs/dbraw/zinc/32/71/59/189327159.db2.gz KIOIGNBYZAYNFT-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182533285 189327160 /nfs/dbraw/zinc/32/71/60/189327160.db2.gz KIOIGNBYZAYNFT-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182533285 189327161 /nfs/dbraw/zinc/32/71/61/189327161.db2.gz KIOIGNBYZAYNFT-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182533285 189327162 /nfs/dbraw/zinc/32/71/62/189327162.db2.gz KIOIGNBYZAYNFT-DOTOQJQBSA-N 2 1 290.451 3.042 20 0 CGADMP Cc1cc(N[C@H](C)C[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301982022 201287362 /nfs/dbraw/zinc/28/73/62/201287362.db2.gz BFUUFVYVRAOHLP-CQSZACIVSA-N 2 1 284.407 3.026 20 0 CGADMP Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000301982022 201287365 /nfs/dbraw/zinc/28/73/65/201287365.db2.gz BFUUFVYVRAOHLP-CQSZACIVSA-N 2 1 284.407 3.026 20 0 CGADMP CSCC1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000449069892 239156261 /nfs/dbraw/zinc/15/62/61/239156261.db2.gz APEIIFRSXLQANO-JEYLPNPQSA-N 2 1 295.496 3.339 20 0 CGADMP COCC1CCC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000449082896 239165466 /nfs/dbraw/zinc/16/54/66/239165466.db2.gz QOQUARWGPBQPIG-VJFUWPCTSA-N 2 1 296.499 3.292 20 0 CGADMP COCC1CCC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000449082897 239166845 /nfs/dbraw/zinc/16/68/45/239166845.db2.gz QOQUARWGPBQPIG-VMWRSERWSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cs1 ZINC000449282962 239289659 /nfs/dbraw/zinc/28/96/59/239289659.db2.gz JMTBKUYFYQXHFA-UHFFFAOYSA-N 2 1 266.454 3.268 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451002881 240187826 /nfs/dbraw/zinc/18/78/26/240187826.db2.gz KGBHEIAXYJABBA-SFHVURJKSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451002881 240187830 /nfs/dbraw/zinc/18/78/30/240187830.db2.gz KGBHEIAXYJABBA-SFHVURJKSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451002881 240187834 /nfs/dbraw/zinc/18/78/34/240187834.db2.gz KGBHEIAXYJABBA-SFHVURJKSA-N 2 1 298.434 3.246 20 0 CGADMP CC(C)COc1ccccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000451173737 240236777 /nfs/dbraw/zinc/23/67/77/240236777.db2.gz TYURMSONEVNJCE-HNNXBMFYSA-N 2 1 278.440 3.009 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451977454 240390888 /nfs/dbraw/zinc/39/08/88/240390888.db2.gz NLFZLGDEJREBKT-MRXNPFEDSA-N 2 1 293.480 3.191 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451977454 240390893 /nfs/dbraw/zinc/39/08/93/240390893.db2.gz NLFZLGDEJREBKT-MRXNPFEDSA-N 2 1 293.480 3.191 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000275399209 193021039 /nfs/dbraw/zinc/02/10/39/193021039.db2.gz ZPGNJHQEZABIQA-SFHVURJKSA-N 2 1 285.435 3.439 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275403401 193023896 /nfs/dbraw/zinc/02/38/96/193023896.db2.gz ADLHNWOTMCQWJV-MSOLQXFVSA-N 2 1 283.419 3.193 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275523165 193066924 /nfs/dbraw/zinc/06/69/24/193066924.db2.gz LFQZSNKLPBPBIO-CABCVRRESA-N 2 1 269.392 3.105 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275625064 193088959 /nfs/dbraw/zinc/08/89/59/193088959.db2.gz RWFMKPBMDAWYMW-CABCVRRESA-N 2 1 269.392 3.105 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000121243141 370843989 /nfs/dbraw/zinc/84/39/89/370843989.db2.gz SFRPXQJHXNGRJT-JFIYKMOQSA-N 2 1 299.462 3.350 20 0 CGADMP COCCC1(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000459724360 242191708 /nfs/dbraw/zinc/19/17/08/242191708.db2.gz APXVMHYXEGYEIP-KRWDZBQOSA-N 2 1 296.499 3.295 20 0 CGADMP C[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459797913 242240230 /nfs/dbraw/zinc/24/02/30/242240230.db2.gz XFTKNQCBGHGHQD-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000459743123 242203625 /nfs/dbraw/zinc/20/36/25/242203625.db2.gz WHEFHMMYBFTBGR-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459793112 242237233 /nfs/dbraw/zinc/23/72/33/242237233.db2.gz SUHVUKYLAULFJH-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP CCCc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000479562083 243113021 /nfs/dbraw/zinc/11/30/21/243113021.db2.gz WZUPFJAAMKSKGG-ZWKOTPCHSA-N 2 1 272.436 3.356 20 0 CGADMP CCCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000479562083 243113025 /nfs/dbraw/zinc/11/30/25/243113025.db2.gz WZUPFJAAMKSKGG-ZWKOTPCHSA-N 2 1 272.436 3.356 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000482873135 243247251 /nfs/dbraw/zinc/24/72/51/243247251.db2.gz DKOJVAVBHKFDGT-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000537649513 376192764 /nfs/dbraw/zinc/19/27/64/376192764.db2.gz XNNWTXXEFDNWHI-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000537649513 376192770 /nfs/dbraw/zinc/19/27/70/376192770.db2.gz XNNWTXXEFDNWHI-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP C(C[NH+]1CCC2(CCC2)C1)C[N@H+]1CCC2(CCC2)C1 ZINC000123388921 370911200 /nfs/dbraw/zinc/91/12/00/370911200.db2.gz TXPTXQOCJVFAEE-UHFFFAOYSA-N 2 1 262.441 3.129 20 0 CGADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+]1CCCC1 ZINC000021819475 368809988 /nfs/dbraw/zinc/80/99/88/368809988.db2.gz HBOMNUXKMFKDAM-HZPDHXFCSA-N 2 1 250.430 3.053 20 0 CGADMP Clc1ccc2c(NCC[NH+]3CCCC3)cc[nH+]c2c1 ZINC000027558123 368873018 /nfs/dbraw/zinc/87/30/18/368873018.db2.gz QUDXYRXTOFIIQW-UHFFFAOYSA-N 2 1 275.783 3.396 20 0 CGADMP [NH3+]C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000029409715 368895663 /nfs/dbraw/zinc/89/56/63/368895663.db2.gz SYLPABNGPXLAME-UHFFFAOYSA-N 2 1 296.414 3.189 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000035054383 368995125 /nfs/dbraw/zinc/99/51/25/368995125.db2.gz UWQBSOGKCYEAQQ-AWEZNQCLSA-N 2 1 258.409 3.007 20 0 CGADMP C1CC1[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000035054411 368995395 /nfs/dbraw/zinc/99/53/95/368995395.db2.gz ANKIHILQHISNBO-UHFFFAOYSA-N 2 1 250.430 3.316 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649306 369097793 /nfs/dbraw/zinc/09/77/93/369097793.db2.gz QPAFCKKRARPABK-GJZGRUSLSA-N 2 1 288.435 3.139 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000038098216 369144828 /nfs/dbraw/zinc/14/48/28/369144828.db2.gz UIGHIFPOLORYBH-KRWDZBQOSA-N 2 1 276.399 3.351 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000041665734 369195133 /nfs/dbraw/zinc/19/51/33/369195133.db2.gz ITLCCAQJDDERMZ-CYBMUJFWSA-N 2 1 264.372 3.180 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000041665734 369195138 /nfs/dbraw/zinc/19/51/38/369195138.db2.gz ITLCCAQJDDERMZ-CYBMUJFWSA-N 2 1 264.372 3.180 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc2[nH]ccc21 ZINC000494019601 244258219 /nfs/dbraw/zinc/25/82/19/244258219.db2.gz VBJGRVIGNHWIQQ-UHFFFAOYSA-N 2 1 285.435 3.476 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000494995961 244344768 /nfs/dbraw/zinc/34/47/68/244344768.db2.gz MXHXGQICCFWSIT-IETPZCKNSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]1C ZINC000495084772 244354807 /nfs/dbraw/zinc/35/48/07/244354807.db2.gz NCNGGHOKQNJONY-FPAYPSAMSA-N 2 1 286.463 3.185 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000049956853 369425377 /nfs/dbraw/zinc/42/53/77/369425377.db2.gz BRVBYRVPYQYFOO-HNNXBMFYSA-N 2 1 264.438 3.273 20 0 CGADMP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000061328135 369598698 /nfs/dbraw/zinc/59/86/98/369598698.db2.gz RONVZYJODIUQJS-DOMZBBRYSA-N 2 1 276.449 3.199 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000070158185 369782312 /nfs/dbraw/zinc/78/23/12/369782312.db2.gz PPLWMNPWBMEOHH-ZDUSSCGKSA-N 2 1 274.433 3.462 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000070148473 369782747 /nfs/dbraw/zinc/78/27/47/369782747.db2.gz UOGFSQVMMAICAM-CQSZACIVSA-N 2 1 252.789 3.043 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000070148473 369782753 /nfs/dbraw/zinc/78/27/53/369782753.db2.gz UOGFSQVMMAICAM-CQSZACIVSA-N 2 1 252.789 3.043 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169672 369786676 /nfs/dbraw/zinc/78/66/76/369786676.db2.gz CDFZBTFQTSFGMB-NWDGAFQWSA-N 2 1 268.351 3.087 20 0 CGADMP COCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000073166155 369853123 /nfs/dbraw/zinc/85/31/23/369853123.db2.gz DPNMGXCBLBMYIY-QZTJIDSGSA-N 2 1 296.499 3.390 20 0 CGADMP COCCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000073166155 369853125 /nfs/dbraw/zinc/85/31/25/369853125.db2.gz DPNMGXCBLBMYIY-QZTJIDSGSA-N 2 1 296.499 3.390 20 0 CGADMP COCCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000073166155 369853129 /nfs/dbraw/zinc/85/31/29/369853129.db2.gz DPNMGXCBLBMYIY-QZTJIDSGSA-N 2 1 296.499 3.390 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043667 370089608 /nfs/dbraw/zinc/08/96/08/370089608.db2.gz FXSNIVCKDZMDQW-QAPCUYQASA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043667 370089612 /nfs/dbraw/zinc/08/96/12/370089612.db2.gz FXSNIVCKDZMDQW-QAPCUYQASA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043667 370089615 /nfs/dbraw/zinc/08/96/15/370089615.db2.gz FXSNIVCKDZMDQW-QAPCUYQASA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000092043383 370090524 /nfs/dbraw/zinc/09/05/24/370090524.db2.gz XIKSOJAJOUITGD-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000092043383 370090532 /nfs/dbraw/zinc/09/05/32/370090532.db2.gz XIKSOJAJOUITGD-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000092043383 370090539 /nfs/dbraw/zinc/09/05/39/370090539.db2.gz XIKSOJAJOUITGD-MSOLQXFVSA-N 2 1 272.436 3.220 20 0 CGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000092253978 370094229 /nfs/dbraw/zinc/09/42/29/370094229.db2.gz AAJGXTKMYAAGCM-GPANFISMSA-N 2 1 252.446 3.086 20 0 CGADMP CC1CCC(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000092253978 370094235 /nfs/dbraw/zinc/09/42/35/370094235.db2.gz AAJGXTKMYAAGCM-GPANFISMSA-N 2 1 252.446 3.086 20 0 CGADMP CC1CCC(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000092253978 370094241 /nfs/dbraw/zinc/09/42/41/370094241.db2.gz AAJGXTKMYAAGCM-GPANFISMSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000093644422 370151223 /nfs/dbraw/zinc/15/12/23/370151223.db2.gz ZHPXPRPTPKXCAX-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000093644422 370151227 /nfs/dbraw/zinc/15/12/27/370151227.db2.gz ZHPXPRPTPKXCAX-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000093644422 370151230 /nfs/dbraw/zinc/15/12/30/370151230.db2.gz ZHPXPRPTPKXCAX-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000093644422 370151232 /nfs/dbraw/zinc/15/12/32/370151232.db2.gz ZHPXPRPTPKXCAX-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC000093770487 370157699 /nfs/dbraw/zinc/15/76/99/370157699.db2.gz KIDYJRZNVDYFBV-KRWDZBQOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093770487 370157700 /nfs/dbraw/zinc/15/77/00/370157700.db2.gz KIDYJRZNVDYFBV-KRWDZBQOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093770487 370157703 /nfs/dbraw/zinc/15/77/03/370157703.db2.gz KIDYJRZNVDYFBV-KRWDZBQOSA-N 2 1 260.425 3.077 20 0 CGADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)c1ccc(F)cc1 ZINC000094011333 370164516 /nfs/dbraw/zinc/16/45/16/370164516.db2.gz CIDITRCIMHMOIJ-CYBMUJFWSA-N 2 1 264.388 3.208 20 0 CGADMP C(C1CCCCC1)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021686 370165333 /nfs/dbraw/zinc/16/53/33/370165333.db2.gz UABOPUDYEMIVKS-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP COCCCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103227502 370320786 /nfs/dbraw/zinc/32/07/86/370320786.db2.gz JLCINXIGTBAXMI-SFHVURJKSA-N 2 1 296.499 3.247 20 0 CGADMP C([C@@H]1CCCCO1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229798 370322599 /nfs/dbraw/zinc/32/25/99/370322599.db2.gz FTCUAXCDVLRZDB-ROUUACIJSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@H+](Cc1cccc2cccnc21)C[C@@H]1CCC[NH+](C)C1 ZINC000118841282 370627774 /nfs/dbraw/zinc/62/77/74/370627774.db2.gz WRNZVRWGNPFCRP-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841282 370627776 /nfs/dbraw/zinc/62/77/76/370627776.db2.gz WRNZVRWGNPFCRP-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841282 370627777 /nfs/dbraw/zinc/62/77/77/370627777.db2.gz WRNZVRWGNPFCRP-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000132195615 371157548 /nfs/dbraw/zinc/15/75/48/371157548.db2.gz UJTWDDWHBVBEFG-VUCTXSBTSA-N 2 1 252.361 3.482 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000132228869 371159485 /nfs/dbraw/zinc/15/94/85/371159485.db2.gz HCZZDDZMSMVNOU-UKRRQHHQSA-N 2 1 284.403 3.018 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+](C)CCC[NH+](C)C ZINC000337302014 376203417 /nfs/dbraw/zinc/20/34/17/376203417.db2.gz PCDOZMUHFRSWPW-UHFFFAOYSA-N 2 1 274.408 3.379 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)CCC[NH+](C)C ZINC000337302014 376203423 /nfs/dbraw/zinc/20/34/23/376203423.db2.gz PCDOZMUHFRSWPW-UHFFFAOYSA-N 2 1 274.408 3.379 20 0 CGADMP c1cn(-c2ccc(C[N@H+]3CCc4ccsc4C3)cc2)cn1 ZINC000132650472 371190727 /nfs/dbraw/zinc/19/07/27/371190727.db2.gz MRNGWGZZMZRFMX-UHFFFAOYSA-N 2 1 295.411 3.492 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000132832737 371206163 /nfs/dbraw/zinc/20/61/63/371206163.db2.gz IVUAUPMDEUCGSL-CQSZACIVSA-N 2 1 264.413 3.052 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000132832737 371206166 /nfs/dbraw/zinc/20/61/66/371206166.db2.gz IVUAUPMDEUCGSL-CQSZACIVSA-N 2 1 264.413 3.052 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000133290425 371241770 /nfs/dbraw/zinc/24/17/70/371241770.db2.gz NJURDKLNSRJAOZ-IAGOWNOFSA-N 2 1 272.436 3.474 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccco2)CC1 ZINC000134165896 371308543 /nfs/dbraw/zinc/30/85/43/371308543.db2.gz WURVTFVCNXHFNN-UHFFFAOYSA-N 2 1 264.413 3.224 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCCCC1 ZINC000421825766 371647548 /nfs/dbraw/zinc/64/75/48/371647548.db2.gz PFTPZJJHKHHIBT-GJZGRUSLSA-N 2 1 293.455 3.155 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422637375 371755392 /nfs/dbraw/zinc/75/53/92/371755392.db2.gz OLDPTPNBBOHBIT-LBPRGKRZSA-N 2 1 296.361 3.177 20 0 CGADMP CC(C)(C)c1csc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000422732704 371771929 /nfs/dbraw/zinc/77/19/29/371771929.db2.gz AIGGRRFSUZXNQP-NWDGAFQWSA-N 2 1 281.469 3.048 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1ccccc1 ZINC000422736107 371774558 /nfs/dbraw/zinc/77/45/58/371774558.db2.gz XFTYNGDQJDLRSC-VQIMIIECSA-N 2 1 282.431 3.167 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737276 371775140 /nfs/dbraw/zinc/77/51/40/371775140.db2.gz ZLWFPMOCNMVLMS-RTBURBONSA-N 2 1 296.414 3.235 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422734430 371775292 /nfs/dbraw/zinc/77/52/92/371775292.db2.gz SZPSUOLWPMSFQE-RKDXNWHRSA-N 2 1 261.196 3.209 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422734217 371775510 /nfs/dbraw/zinc/77/55/10/371775510.db2.gz SKFJJDDHVBPNFN-WFASDCNBSA-N 2 1 280.843 3.348 20 0 CGADMP C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1c[nH+]ccc1N ZINC000422750811 371785204 /nfs/dbraw/zinc/78/52/04/371785204.db2.gz BSTWRDMSJHGCJI-CQSZACIVSA-N 2 1 294.402 3.190 20 0 CGADMP Fc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422778867 371800611 /nfs/dbraw/zinc/80/06/11/371800611.db2.gz FEVDDZYWGVBVGM-RTBURBONSA-N 2 1 298.405 3.451 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Sc1ccccc1 ZINC000422779964 371803823 /nfs/dbraw/zinc/80/38/23/371803823.db2.gz COYNDUVETYCADR-CHWSQXEVSA-N 2 1 287.432 3.326 20 0 CGADMP CCOc1cccc2cc([C@H](C)[NH2+]C3CC[NH2+]CC3)oc21 ZINC000422792261 371811760 /nfs/dbraw/zinc/81/17/60/371811760.db2.gz VXUCWHWGRUCMCI-LBPRGKRZSA-N 2 1 288.391 3.234 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC(C)C)c1 ZINC000422879610 371852137 /nfs/dbraw/zinc/85/21/37/371852137.db2.gz VQIOREFKLLJFNA-SJPCQFCGSA-N 2 1 288.435 3.155 20 0 CGADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422883717 371854123 /nfs/dbraw/zinc/85/41/23/371854123.db2.gz CUAVRCVGTZRVEL-LRDDRELGSA-N 2 1 296.842 3.011 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422897203 371859140 /nfs/dbraw/zinc/85/91/40/371859140.db2.gz BMCHJTAYDJZNNE-SJKOYZFVSA-N 2 1 290.357 3.013 20 0 CGADMP C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422900314 371860994 /nfs/dbraw/zinc/86/09/94/371860994.db2.gz AMVQYPRCZSUFDB-ZFWWWQNUSA-N 2 1 276.449 3.041 20 0 CGADMP CC[C@@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422916892 371867363 /nfs/dbraw/zinc/86/73/63/371867363.db2.gz BVLBEJVJPUGZOW-MSOLQXFVSA-N 2 1 268.404 3.460 20 0 CGADMP COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(F)c1 ZINC000422927304 371875696 /nfs/dbraw/zinc/87/56/96/371875696.db2.gz GAUKWFIKKPNSSH-ZFWWWQNUSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000290119302 371908908 /nfs/dbraw/zinc/90/89/08/371908908.db2.gz JGIPDIHXITYZGN-XUJVJEKNSA-N 2 1 259.397 3.100 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000290119302 371908912 /nfs/dbraw/zinc/90/89/12/371908912.db2.gz JGIPDIHXITYZGN-XUJVJEKNSA-N 2 1 259.397 3.100 20 0 CGADMP COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423008652 371912945 /nfs/dbraw/zinc/91/29/45/371912945.db2.gz AUAMNOLOEOUZTM-UONOGXRCSA-N 2 1 299.418 3.032 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccccc2Cl)CC1)[C@H]1CCC[NH2+]1 ZINC000423022943 371920131 /nfs/dbraw/zinc/92/01/31/371920131.db2.gz ISDZXAQGXXKSOX-SWLSCSKDSA-N 2 1 278.827 3.102 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423046776 371930927 /nfs/dbraw/zinc/93/09/27/371930927.db2.gz FFUKNCVGDYRAKR-IJEWVQPXSA-N 2 1 278.465 3.206 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@H](C)c2c[nH+]ccc2N)c1C ZINC000423091873 371958518 /nfs/dbraw/zinc/95/85/18/371958518.db2.gz ZJTJHKLGULVTHH-OAHLLOKOSA-N 2 1 299.418 3.231 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423092608 371958841 /nfs/dbraw/zinc/95/88/41/371958841.db2.gz CQKVXDOGNOWWOW-CUBALJKWSA-N 2 1 278.827 3.316 20 0 CGADMP CN1CCC([N@H+](Cc2ccccc2)Cc2ccccn2)CC1 ZINC000290312216 371960329 /nfs/dbraw/zinc/96/03/29/371960329.db2.gz CGIFHVYHKSTFGC-UHFFFAOYSA-N 2 1 295.430 3.178 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000423098912 371963096 /nfs/dbraw/zinc/96/30/96/371963096.db2.gz SYARGTLYYUANIF-UXIGCNINSA-N 2 1 285.366 3.230 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2n[nH]cc2c1 ZINC000423104980 371967161 /nfs/dbraw/zinc/96/71/61/371967161.db2.gz HVRLQSXREWQEFN-SDDDUWNISA-N 2 1 292.386 3.358 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CCCC[NH2+]1 ZINC000423129097 371981190 /nfs/dbraw/zinc/98/11/90/371981190.db2.gz WTNZCQHDBAOFAM-HPBDAGMYSA-N 2 1 288.435 3.027 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000290480768 371998717 /nfs/dbraw/zinc/99/87/17/371998717.db2.gz NZKBEOVCWCAAFG-AWEZNQCLSA-N 2 1 294.389 3.129 20 0 CGADMP COCCCC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423090640 371956465 /nfs/dbraw/zinc/95/64/65/371956465.db2.gz XYJUFRJNLCLWLQ-NJAFHUGGSA-N 2 1 290.451 3.275 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000423187931 372015495 /nfs/dbraw/zinc/01/54/95/372015495.db2.gz YOXPKRAPOGXWIW-CYBMUJFWSA-N 2 1 292.423 3.016 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194579 372018724 /nfs/dbraw/zinc/01/87/24/372018724.db2.gz ZBGAINVEUNOJBI-IBGZPJMESA-N 2 1 295.430 3.229 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423196783 372021326 /nfs/dbraw/zinc/02/13/26/372021326.db2.gz WHAGKOFDPPVQLB-XUJVJEKNSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000290575883 372021398 /nfs/dbraw/zinc/02/13/98/372021398.db2.gz UDBJAWALEFMSEB-CKEIUWERSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000290575883 372021404 /nfs/dbraw/zinc/02/14/04/372021404.db2.gz UDBJAWALEFMSEB-CKEIUWERSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000290575883 372021409 /nfs/dbraw/zinc/02/14/09/372021409.db2.gz UDBJAWALEFMSEB-CKEIUWERSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000290575883 372021416 /nfs/dbraw/zinc/02/14/16/372021416.db2.gz UDBJAWALEFMSEB-CKEIUWERSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](CC[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000290575855 372021617 /nfs/dbraw/zinc/02/16/17/372021617.db2.gz UCDMBHWQFWQKBR-RYRKJORJSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000290575855 372021628 /nfs/dbraw/zinc/02/16/28/372021628.db2.gz UCDMBHWQFWQKBR-RYRKJORJSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000290575855 372021635 /nfs/dbraw/zinc/02/16/35/372021635.db2.gz UCDMBHWQFWQKBR-RYRKJORJSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000290575855 372021644 /nfs/dbraw/zinc/02/16/44/372021644.db2.gz UCDMBHWQFWQKBR-RYRKJORJSA-N 2 1 274.452 3.452 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cnn1C(C)C ZINC000423199396 372023046 /nfs/dbraw/zinc/02/30/46/372023046.db2.gz JZRSYRBDTXQXKM-CQSZACIVSA-N 2 1 292.471 3.475 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423256160 372043571 /nfs/dbraw/zinc/04/35/71/372043571.db2.gz BJQQIAXTNCKANO-ABAIWWIYSA-N 2 1 296.842 3.307 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000158251874 372061598 /nfs/dbraw/zinc/06/15/98/372061598.db2.gz SBEHNPJJNWGGKU-MOPGFXCFSA-N 2 1 288.479 3.494 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423371648 372055031 /nfs/dbraw/zinc/05/50/31/372055031.db2.gz HRGCQQJVJXNWBS-XHBSWPGZSA-N 2 1 282.378 3.016 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000158187723 372058499 /nfs/dbraw/zinc/05/84/99/372058499.db2.gz ILOZWQRJKKGAOP-WBMJQRKESA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000158187723 372058507 /nfs/dbraw/zinc/05/85/07/372058507.db2.gz ILOZWQRJKKGAOP-WBMJQRKESA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1 ZINC000423174579 372003947 /nfs/dbraw/zinc/00/39/47/372003947.db2.gz BDTOGIDWYFMGHZ-LBPRGKRZSA-N 2 1 250.361 3.138 20 0 CGADMP COC1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423173514 372005144 /nfs/dbraw/zinc/00/51/44/372005144.db2.gz ZBKMYJAKGMZKNS-JYSRZZCRSA-N 2 1 288.435 3.027 20 0 CGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423185350 372012648 /nfs/dbraw/zinc/01/26/48/372012648.db2.gz VHQUBJRBUMASOB-AWEZNQCLSA-N 2 1 292.398 3.073 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]CC[NH3+])c2ccc(C)cc2)cc1 ZINC000423187063 372014485 /nfs/dbraw/zinc/01/44/85/372014485.db2.gz OVLUOYKCZPMWKY-GOSISDBHSA-N 2 1 268.404 3.136 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000344221572 217104119 /nfs/dbraw/zinc/10/41/19/217104119.db2.gz MXGAAQTYFMJNRV-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000423457820 372065116 /nfs/dbraw/zinc/06/51/16/372065116.db2.gz GBGOGQARRLXILQ-YOEHRIQHSA-N 2 1 276.424 3.253 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)C1CCCC1 ZINC000423499792 372071273 /nfs/dbraw/zinc/07/12/73/372071273.db2.gz JVIRXWXSISDVQE-CVEARBPZSA-N 2 1 278.827 3.434 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C(C2CC2)C2CC2)C1 ZINC000158652085 372078204 /nfs/dbraw/zinc/07/82/04/372078204.db2.gz GFIDTTWRFMIPCF-OKILXGFUSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158662211 372079936 /nfs/dbraw/zinc/07/99/36/372079936.db2.gz AWWZPRWHLPEXMX-SJLPKXTDSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158662211 372079943 /nfs/dbraw/zinc/07/99/43/372079943.db2.gz AWWZPRWHLPEXMX-SJLPKXTDSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158662211 372079948 /nfs/dbraw/zinc/07/99/48/372079948.db2.gz AWWZPRWHLPEXMX-SJLPKXTDSA-N 2 1 272.436 3.220 20 0 CGADMP CC(C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158914382 372091170 /nfs/dbraw/zinc/09/11/70/372091170.db2.gz DFHYVYFMEJGXAJ-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000159332117 372132037 /nfs/dbraw/zinc/13/20/37/372132037.db2.gz MWIZYZOVWRPJMI-IBGZPJMESA-N 2 1 286.463 3.390 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000159332257 372132866 /nfs/dbraw/zinc/13/28/66/372132866.db2.gz MWIZYZOVWRPJMI-LJQANCHMSA-N 2 1 286.463 3.390 20 0 CGADMP C[N@H+]1CCC[C@]2(CCN(C/C=C/c3ccccc3)C2)C1 ZINC000292940825 372254130 /nfs/dbraw/zinc/25/41/30/372254130.db2.gz JVZAZOCFZZTCTL-YXOJNZSOSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C/c3ccccc3)C2)C1 ZINC000292940825 372254150 /nfs/dbraw/zinc/25/41/50/372254150.db2.gz JVZAZOCFZZTCTL-YXOJNZSOSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C/c3ccccc3)C2)C1 ZINC000292940825 372254155 /nfs/dbraw/zinc/25/41/55/372254155.db2.gz JVZAZOCFZZTCTL-YXOJNZSOSA-N 2 1 270.420 3.118 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000292952272 372260229 /nfs/dbraw/zinc/26/02/29/372260229.db2.gz KRRKMFYVSDGZJB-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161141883 372305883 /nfs/dbraw/zinc/30/58/83/372305883.db2.gz YYSCLUAZAWIIDK-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)C[NH+](C)C ZINC000293315114 372351911 /nfs/dbraw/zinc/35/19/11/372351911.db2.gz FGIVAMDHSLZGTD-NTZNESFSSA-N 2 1 284.494 3.461 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000429510312 372373389 /nfs/dbraw/zinc/37/33/89/372373389.db2.gz IAQFLWJVOYVWFW-HOTGVXAUSA-N 2 1 296.499 3.434 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000429510312 372373395 /nfs/dbraw/zinc/37/33/95/372373395.db2.gz IAQFLWJVOYVWFW-HOTGVXAUSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000162618064 372405342 /nfs/dbraw/zinc/40/53/42/372405342.db2.gz FWMOQAQQHOBQRJ-BEFAXECRSA-N 2 1 282.431 3.312 20 0 CGADMP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000293701905 372455726 /nfs/dbraw/zinc/45/57/26/372455726.db2.gz MELSRVWYNWOXJB-ACJLOTCBSA-N 2 1 299.418 3.256 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163382262 372465014 /nfs/dbraw/zinc/46/50/14/372465014.db2.gz MUOCDVNVMUCJTI-STQMWFEESA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000165007604 372539499 /nfs/dbraw/zinc/53/94/99/372539499.db2.gz GQWUDPMUHPDBQG-LZWOXQAQSA-N 2 1 296.480 3.146 20 0 CGADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000165007604 372539503 /nfs/dbraw/zinc/53/95/03/372539503.db2.gz GQWUDPMUHPDBQG-LZWOXQAQSA-N 2 1 296.480 3.146 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccccc1F ZINC000164581531 372523672 /nfs/dbraw/zinc/52/36/72/372523672.db2.gz NTGVCKFSTGLALN-ZDUSSCGKSA-N 2 1 275.371 3.462 20 0 CGADMP CC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000432777433 372571748 /nfs/dbraw/zinc/57/17/48/372571748.db2.gz CPUHDCFLGSHJFP-GOEBONIOSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000432777433 372571751 /nfs/dbraw/zinc/57/17/51/372571751.db2.gz CPUHDCFLGSHJFP-GOEBONIOSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000432777433 372571754 /nfs/dbraw/zinc/57/17/54/372571754.db2.gz CPUHDCFLGSHJFP-GOEBONIOSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000432777433 372571757 /nfs/dbraw/zinc/57/17/57/372571757.db2.gz CPUHDCFLGSHJFP-GOEBONIOSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000432777435 372571918 /nfs/dbraw/zinc/57/19/18/372571918.db2.gz CPUHDCFLGSHJFP-HOCLYGCPSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000432777435 372571923 /nfs/dbraw/zinc/57/19/23/372571923.db2.gz CPUHDCFLGSHJFP-HOCLYGCPSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000432777435 372571926 /nfs/dbraw/zinc/57/19/26/372571926.db2.gz CPUHDCFLGSHJFP-HOCLYGCPSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000432777435 372571931 /nfs/dbraw/zinc/57/19/31/372571931.db2.gz CPUHDCFLGSHJFP-HOCLYGCPSA-N 2 1 262.441 3.125 20 0 CGADMP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000166703720 372580922 /nfs/dbraw/zinc/58/09/22/372580922.db2.gz NAHSOOCNVYTLFF-ACJLOTCBSA-N 2 1 299.418 3.256 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000294236489 372622372 /nfs/dbraw/zinc/62/23/72/372622372.db2.gz OSMJLXRVTHFNRU-QWHCGFSZSA-N 2 1 252.427 3.049 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)[NH+]1CCCC1 ZINC000434784951 372710463 /nfs/dbraw/zinc/71/04/63/372710463.db2.gz OIOGHXHSZDIUPC-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cc2c1 ZINC000435368696 372753438 /nfs/dbraw/zinc/75/34/38/372753438.db2.gz BPGRVLCTYWQJNZ-OLZOCXBDSA-N 2 1 288.391 3.001 20 0 CGADMP CCC[C@H](C)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435387749 372755667 /nfs/dbraw/zinc/75/56/67/372755667.db2.gz BJOBAWHMNDYBAE-WMZOPIPTSA-N 2 1 289.467 3.462 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH2+]CC1 ZINC000435387848 372756588 /nfs/dbraw/zinc/75/65/88/372756588.db2.gz COOCTMZRRVBYQB-UHFFFAOYSA-N 2 1 270.376 3.130 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH2+]CC1 ZINC000435387848 372756596 /nfs/dbraw/zinc/75/65/96/372756596.db2.gz COOCTMZRRVBYQB-UHFFFAOYSA-N 2 1 270.376 3.130 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]CC1 ZINC000435395091 372757498 /nfs/dbraw/zinc/75/74/98/372757498.db2.gz QXQLLVLBQUNROR-NSHDSACASA-N 2 1 272.845 3.366 20 0 CGADMP CC[N@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435390424 372759150 /nfs/dbraw/zinc/75/91/50/372759150.db2.gz PFFCLOJWUFZOHD-AWEZNQCLSA-N 2 1 293.480 3.375 20 0 CGADMP CC[N@@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435390424 372759160 /nfs/dbraw/zinc/75/91/60/372759160.db2.gz PFFCLOJWUFZOHD-AWEZNQCLSA-N 2 1 293.480 3.375 20 0 CGADMP Cc1cnccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000295433298 372779615 /nfs/dbraw/zinc/77/96/15/372779615.db2.gz OVKVQOBIVWBADJ-RDJZCZTQSA-N 2 1 287.451 3.133 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172652125 373003962 /nfs/dbraw/zinc/00/39/62/373003962.db2.gz WTAYKEAVRQEPTA-PKOBYXMFSA-N 2 1 286.463 3.425 20 0 CGADMP CSc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000172534442 372986196 /nfs/dbraw/zinc/98/61/96/372986196.db2.gz XOKRLVWSMHCKBI-UHFFFAOYSA-N 2 1 278.465 3.182 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214955 373056067 /nfs/dbraw/zinc/05/60/67/373056067.db2.gz ZYIAMXFGZPUZGE-PBFPGSCMSA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214955 373056072 /nfs/dbraw/zinc/05/60/72/373056072.db2.gz ZYIAMXFGZPUZGE-PBFPGSCMSA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214955 373056077 /nfs/dbraw/zinc/05/60/77/373056077.db2.gz ZYIAMXFGZPUZGE-PBFPGSCMSA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214955 373056081 /nfs/dbraw/zinc/05/60/81/373056081.db2.gz ZYIAMXFGZPUZGE-PBFPGSCMSA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214955 373056085 /nfs/dbraw/zinc/05/60/85/373056085.db2.gz ZYIAMXFGZPUZGE-PBFPGSCMSA-N 2 1 296.405 3.340 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000172848914 373046674 /nfs/dbraw/zinc/04/66/74/373046674.db2.gz XGVYYZTWDBAIJQ-RDTXWAMCSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC000172848914 373046681 /nfs/dbraw/zinc/04/66/81/373046681.db2.gz XGVYYZTWDBAIJQ-RDTXWAMCSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)CC[NH+]1C ZINC000172848914 373046686 /nfs/dbraw/zinc/04/66/86/373046686.db2.gz XGVYYZTWDBAIJQ-RDTXWAMCSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)CC[NH+]1C ZINC000172848914 373046690 /nfs/dbraw/zinc/04/66/90/373046690.db2.gz XGVYYZTWDBAIJQ-RDTXWAMCSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cccc(C(C)(C)C)c1 ZINC000442768977 373075841 /nfs/dbraw/zinc/07/58/41/373075841.db2.gz PKBOQYXPWCWZRL-HUUCEWRRSA-N 2 1 290.451 3.032 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000442791618 373084169 /nfs/dbraw/zinc/08/41/69/373084169.db2.gz ODKGIKREDDHJJO-LSDHHAIUSA-N 2 1 297.402 3.043 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2c1 ZINC000442919039 373128282 /nfs/dbraw/zinc/12/82/82/373128282.db2.gz DQUQFKLTHLZHMG-CYBMUJFWSA-N 2 1 288.391 3.002 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057836 373145711 /nfs/dbraw/zinc/14/57/11/373145711.db2.gz IHSAOKDXANFDSV-HNNXBMFYSA-N 2 1 299.418 3.211 20 0 CGADMP CCc1ccccc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000444638535 373215913 /nfs/dbraw/zinc/21/59/13/373215913.db2.gz JEAFCLHRAXGDGE-RBUKOAKNSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000444638535 373215918 /nfs/dbraw/zinc/21/59/18/373215918.db2.gz JEAFCLHRAXGDGE-RBUKOAKNSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000444638535 373215928 /nfs/dbraw/zinc/21/59/28/373215928.db2.gz JEAFCLHRAXGDGE-RBUKOAKNSA-N 2 1 286.463 3.208 20 0 CGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(F)ccc1F ZINC000173954852 373224205 /nfs/dbraw/zinc/22/42/05/373224205.db2.gz PYOZOLCERZQOTJ-HNNXBMFYSA-N 2 1 282.378 3.271 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444749247 373259377 /nfs/dbraw/zinc/25/93/77/373259377.db2.gz UNCZQRQSXDMKPH-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C4CCC4)cc3)C2)C1 ZINC000353590196 220175694 /nfs/dbraw/zinc/17/56/94/220175694.db2.gz IRQUHBZVAWQLTD-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C4CCC4)cc3)C2)C1 ZINC000353590196 220175696 /nfs/dbraw/zinc/17/56/96/220175696.db2.gz IRQUHBZVAWQLTD-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)C1 ZINC000353590196 220175699 /nfs/dbraw/zinc/17/56/99/220175699.db2.gz IRQUHBZVAWQLTD-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000174454131 373320321 /nfs/dbraw/zinc/32/03/21/373320321.db2.gz OSRCCGMQVOTKPB-CZUORRHYSA-N 2 1 287.407 3.478 20 0 CGADMP COc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2c1 ZINC000174515225 373331886 /nfs/dbraw/zinc/33/18/86/373331886.db2.gz ZTTLCTXGUUDIQL-KDOFPFPSSA-N 2 1 298.430 3.421 20 0 CGADMP Fc1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000298515832 373346459 /nfs/dbraw/zinc/34/64/59/373346459.db2.gz RFNKRWHNEHOQJU-UHFFFAOYSA-N 2 1 288.410 3.074 20 0 CGADMP CC(C)Oc1cccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000298515150 373346483 /nfs/dbraw/zinc/34/64/83/373346483.db2.gz RCYHYCRAGHVZEL-CQSZACIVSA-N 2 1 287.407 3.101 20 0 CGADMP CCOc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000299337796 373511358 /nfs/dbraw/zinc/51/13/58/373511358.db2.gz NLRCTVJIHBQQGX-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccc(F)cc2)CC[N@@H+]1C ZINC000177060949 373653806 /nfs/dbraw/zinc/65/38/06/373653806.db2.gz WZYYPLHMRYTBKD-UKRRQHHQSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccc(F)cc2)CC[N@H+]1C ZINC000177060949 373653813 /nfs/dbraw/zinc/65/38/13/373653813.db2.gz WZYYPLHMRYTBKD-UKRRQHHQSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCSc2ccc(F)cc2)CC[NH+]1C ZINC000177060949 373653822 /nfs/dbraw/zinc/65/38/22/373653822.db2.gz WZYYPLHMRYTBKD-UKRRQHHQSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCSc2ccc(F)cc2)CC[NH+]1C ZINC000177060949 373653826 /nfs/dbraw/zinc/65/38/26/373653826.db2.gz WZYYPLHMRYTBKD-UKRRQHHQSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccc(F)cc2)CC[N@@H+]1C ZINC000177060983 373654212 /nfs/dbraw/zinc/65/42/12/373654212.db2.gz WZYYPLHMRYTBKD-HIFRSBDPSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccc(F)cc2)CC[N@H+]1C ZINC000177060983 373654218 /nfs/dbraw/zinc/65/42/18/373654218.db2.gz WZYYPLHMRYTBKD-HIFRSBDPSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCSc2ccc(F)cc2)CC[NH+]1C ZINC000177060983 373654223 /nfs/dbraw/zinc/65/42/23/373654223.db2.gz WZYYPLHMRYTBKD-HIFRSBDPSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCSc2ccc(F)cc2)CC[NH+]1C ZINC000177060983 373654228 /nfs/dbraw/zinc/65/42/28/373654228.db2.gz WZYYPLHMRYTBKD-HIFRSBDPSA-N 2 1 296.455 3.332 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000300079914 373618288 /nfs/dbraw/zinc/61/82/88/373618288.db2.gz YPLBKEKKVCZBIT-LLLHUVSDSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000300079914 373618299 /nfs/dbraw/zinc/61/82/99/373618299.db2.gz YPLBKEKKVCZBIT-LLLHUVSDSA-N 2 1 262.441 3.195 20 0 CGADMP Cc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)nc(C)[nH+]1 ZINC000301116987 373666820 /nfs/dbraw/zinc/66/68/20/373666820.db2.gz UROLMCXVZZPHAY-AWEZNQCLSA-N 2 1 276.428 3.160 20 0 CGADMP Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)nc(C)[nH+]1 ZINC000301116987 373666830 /nfs/dbraw/zinc/66/68/30/373666830.db2.gz UROLMCXVZZPHAY-AWEZNQCLSA-N 2 1 276.428 3.160 20 0 CGADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000177886559 373722863 /nfs/dbraw/zinc/72/28/63/373722863.db2.gz LXBVSFMVABFGFI-GEEKYZPCSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000177886559 373722872 /nfs/dbraw/zinc/72/28/72/373722872.db2.gz LXBVSFMVABFGFI-GEEKYZPCSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000177886559 373722883 /nfs/dbraw/zinc/72/28/83/373722883.db2.gz LXBVSFMVABFGFI-GEEKYZPCSA-N 2 1 252.446 3.227 20 0 CGADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000301278896 373727259 /nfs/dbraw/zinc/72/72/59/373727259.db2.gz LQXDUSOFAZAZOO-CYBMUJFWSA-N 2 1 289.810 3.419 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000178410901 373774460 /nfs/dbraw/zinc/77/44/60/373774460.db2.gz USYBSIMEUUMSCK-KRWDZBQOSA-N 2 1 288.435 3.366 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000178708364 373805992 /nfs/dbraw/zinc/80/59/92/373805992.db2.gz GFYQOOYJZOKCSZ-DZGCQCFKSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000178704615 373806151 /nfs/dbraw/zinc/80/61/51/373806151.db2.gz XORICYRDSASNNN-COXVUDFISA-N 2 1 275.440 3.386 20 0 CGADMP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000449646874 373838665 /nfs/dbraw/zinc/83/86/65/373838665.db2.gz CICWQHBYCFERTN-NUJGCVRESA-N 2 1 299.462 3.174 20 0 CGADMP Clc1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178781423 373810348 /nfs/dbraw/zinc/81/03/48/373810348.db2.gz WHOUUGMHZDRLTI-DOMZBBRYSA-N 2 1 291.826 3.188 20 0 CGADMP Clc1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178781423 373810353 /nfs/dbraw/zinc/81/03/53/373810353.db2.gz WHOUUGMHZDRLTI-DOMZBBRYSA-N 2 1 291.826 3.188 20 0 CGADMP CC(C)C[C@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178974565 373822732 /nfs/dbraw/zinc/82/27/32/373822732.db2.gz CSCYYEZATIASSP-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178975456 373823468 /nfs/dbraw/zinc/82/34/68/373823468.db2.gz DMYXCRCIUIRUJR-SFHVURJKSA-N 2 1 274.452 3.248 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000070344093 541893530 /nfs/dbraw/zinc/89/35/30/541893530.db2.gz QOKVQXYIVSTATA-ROUUACIJSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc[nH+]1 ZINC000302587670 373900173 /nfs/dbraw/zinc/90/01/73/373900173.db2.gz VBTIAXHDIZCIJR-INIZCTEOSA-N 2 1 259.397 3.066 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180881088 374054403 /nfs/dbraw/zinc/05/44/03/374054403.db2.gz OKDXGDVSLKTFBZ-ZDUSSCGKSA-N 2 1 282.378 3.274 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000450856188 374182591 /nfs/dbraw/zinc/18/25/91/374182591.db2.gz OOLMJMGYQIDXAR-INIZCTEOSA-N 2 1 250.430 3.293 20 0 CGADMP CCN1CCC([N@@H+](C)CCC2=CCCCC2)CC1 ZINC000450465674 374148635 /nfs/dbraw/zinc/14/86/35/374148635.db2.gz FZVYFVKGTAWKQY-UHFFFAOYSA-N 2 1 250.430 3.293 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCC2=CCCCC2)CC1 ZINC000450465674 374148641 /nfs/dbraw/zinc/14/86/41/374148641.db2.gz FZVYFVKGTAWKQY-UHFFFAOYSA-N 2 1 250.430 3.293 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCC2=CCCCC2)CC1 ZINC000450465674 374148644 /nfs/dbraw/zinc/14/86/44/374148644.db2.gz FZVYFVKGTAWKQY-UHFFFAOYSA-N 2 1 250.430 3.293 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2=CCCCC2)CCN1C ZINC000450465732 374148852 /nfs/dbraw/zinc/14/88/52/374148852.db2.gz GLJXVDGLIDKEBU-ZBFHGGJFSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2=CCCCC2)CC[N@@H+]1C ZINC000450465732 374148859 /nfs/dbraw/zinc/14/88/59/374148859.db2.gz GLJXVDGLIDKEBU-ZBFHGGJFSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2=CCCCC2)CC[N@H+]1C ZINC000450465732 374148865 /nfs/dbraw/zinc/14/88/65/374148865.db2.gz GLJXVDGLIDKEBU-ZBFHGGJFSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC000450465732 374148869 /nfs/dbraw/zinc/14/88/69/374148869.db2.gz GLJXVDGLIDKEBU-ZBFHGGJFSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC000450465732 374148876 /nfs/dbraw/zinc/14/88/76/374148876.db2.gz GLJXVDGLIDKEBU-ZBFHGGJFSA-N 2 1 250.430 3.291 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CC13CCC(CC1)C3)CC2 ZINC000450641701 374167469 /nfs/dbraw/zinc/16/74/69/374167469.db2.gz GFIXEZMDIRUGQC-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000453256678 374373720 /nfs/dbraw/zinc/37/37/20/374373720.db2.gz MHKUPBLUQOOMCI-GZBFAFLISA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000453256678 374373730 /nfs/dbraw/zinc/37/37/30/374373730.db2.gz MHKUPBLUQOOMCI-GZBFAFLISA-N 2 1 264.388 3.267 20 0 CGADMP CCC1([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000453299647 374401494 /nfs/dbraw/zinc/40/14/94/374401494.db2.gz VIVMLOQTFCZTBX-NVXWUHKLSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453332538 374425994 /nfs/dbraw/zinc/42/59/94/374425994.db2.gz AWZTZBQOYMSSHJ-YWVKXLOASA-N 2 1 288.410 3.274 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC12CCCC2)C1CC1 ZINC000453399851 374473123 /nfs/dbraw/zinc/47/31/23/374473123.db2.gz LSWHNWZNEACBHC-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000090400479 541959421 /nfs/dbraw/zinc/95/94/21/541959421.db2.gz MRMZYQXXGDSNML-QWHCGFSZSA-N 2 1 281.469 3.367 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000090400479 541959424 /nfs/dbraw/zinc/95/94/24/541959424.db2.gz MRMZYQXXGDSNML-QWHCGFSZSA-N 2 1 281.469 3.367 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000090417965 541961315 /nfs/dbraw/zinc/96/13/15/541961315.db2.gz IZHAXJAUFHNRAX-LLVKDONJSA-N 2 1 278.425 3.087 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185218869 374613116 /nfs/dbraw/zinc/61/31/16/374613116.db2.gz BWQUZRONXHNNEN-BMFZPTHFSA-N 2 1 293.455 3.009 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3occc3c2)CC[N@H+]1C ZINC000334449368 374760265 /nfs/dbraw/zinc/76/02/65/374760265.db2.gz JTISDFJOEQIVIU-IUODEOHRSA-N 2 1 258.365 3.005 20 0 CGADMP CSCC1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459792512 374821751 /nfs/dbraw/zinc/82/17/51/374821751.db2.gz SEPDSMMPENQMCW-FHERZECASA-N 2 1 284.513 3.230 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000094357975 541986345 /nfs/dbraw/zinc/98/63/45/541986345.db2.gz VVCDKLQDTAZVEP-CZUORRHYSA-N 2 1 258.409 3.136 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000334648141 374940446 /nfs/dbraw/zinc/94/04/46/374940446.db2.gz SWUDXCNWXXWSHC-JTQLQIEISA-N 2 1 293.773 3.158 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCSCC1 ZINC000186942944 374941503 /nfs/dbraw/zinc/94/15/03/374941503.db2.gz DFIOPYPSZDUZHJ-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)C1CCSCC1)[NH+]1CCCC1 ZINC000186982208 374948869 /nfs/dbraw/zinc/94/88/69/374948869.db2.gz AAZIPMUHRMZUHA-GDBMZVCRSA-N 2 1 284.513 3.228 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000469873159 374993002 /nfs/dbraw/zinc/99/30/02/374993002.db2.gz YGEHUOZUZSMHNF-OAHLLOKOSA-N 2 1 278.415 3.427 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000469873159 374993006 /nfs/dbraw/zinc/99/30/06/374993006.db2.gz YGEHUOZUZSMHNF-OAHLLOKOSA-N 2 1 278.415 3.427 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000187737751 375083406 /nfs/dbraw/zinc/08/34/06/375083406.db2.gz GNKOUUAJUBKZAS-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527718 296226115 /nfs/dbraw/zinc/22/61/15/296226115.db2.gz IBGDPNFHYIAESK-NWDGAFQWSA-N 2 1 286.341 3.437 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000474275082 375093559 /nfs/dbraw/zinc/09/35/59/375093559.db2.gz OFMMBWNELXRXDQ-WMZOPIPTSA-N 2 1 274.452 3.310 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000480634254 375160634 /nfs/dbraw/zinc/16/06/34/375160634.db2.gz STOSRYHDQQOZDJ-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc2cccnc12 ZINC000335149093 375176720 /nfs/dbraw/zinc/17/67/20/375176720.db2.gz BIYFWKPSKKRDSN-MAUKXSAKSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc2cccnc12 ZINC000335149093 375176725 /nfs/dbraw/zinc/17/67/25/375176725.db2.gz BIYFWKPSKKRDSN-MAUKXSAKSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc2cccnc12 ZINC000335149093 375176729 /nfs/dbraw/zinc/17/67/29/375176729.db2.gz BIYFWKPSKKRDSN-MAUKXSAKSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc2cccnc12 ZINC000335149093 375176733 /nfs/dbraw/zinc/17/67/33/375176733.db2.gz BIYFWKPSKKRDSN-MAUKXSAKSA-N 2 1 297.446 3.315 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C(CC)CC)[NH+](C)C ZINC000474471141 375114304 /nfs/dbraw/zinc/11/43/04/375114304.db2.gz FWMJRNKAFLWPJG-YESZJQIVSA-N 2 1 284.488 3.148 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474479870 375115183 /nfs/dbraw/zinc/11/51/83/375115183.db2.gz SROCKCIOSXBAQC-XWTMOSNGSA-N 2 1 296.499 3.149 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000474484858 375115307 /nfs/dbraw/zinc/11/53/07/375115307.db2.gz MYPGOLZGJOITDL-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000474629748 375122587 /nfs/dbraw/zinc/12/25/87/375122587.db2.gz DIVUCDCLWASDBZ-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000474629748 375122595 /nfs/dbraw/zinc/12/25/95/375122595.db2.gz DIVUCDCLWASDBZ-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]([NH2+]C/C=C/c1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000487557037 375253405 /nfs/dbraw/zinc/25/34/05/375253405.db2.gz WBQGBUSHWJBKQB-LCLOVZNUSA-N 2 1 299.462 3.337 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000487278482 375218191 /nfs/dbraw/zinc/21/81/91/375218191.db2.gz OACZTPXJSLIHLN-RRFJBIMHSA-N 2 1 252.446 3.131 20 0 CGADMP CCc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000188843210 375279711 /nfs/dbraw/zinc/27/97/11/375279711.db2.gz JDAIHELJGVDDGP-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490168559 375320340 /nfs/dbraw/zinc/32/03/40/375320340.db2.gz XHKRXPQDHDUEDG-RYTJFDOTSA-N 2 1 296.499 3.290 20 0 CGADMP CSCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000188714761 375259350 /nfs/dbraw/zinc/25/93/50/375259350.db2.gz MKFVHTYZVHMMSC-DLBZAZTESA-N 2 1 290.476 3.266 20 0 CGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000335600853 375334671 /nfs/dbraw/zinc/33/46/71/375334671.db2.gz RIWXKXFHPDTPGN-UGSOOPFHSA-N 2 1 278.399 3.344 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)C[NH+](C)C ZINC000491589277 375334963 /nfs/dbraw/zinc/33/49/63/375334963.db2.gz PMKVDLNWKDRWMH-AWEZNQCLSA-N 2 1 272.392 3.234 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@H]1C ZINC000494886125 375493595 /nfs/dbraw/zinc/49/35/95/375493595.db2.gz MIYHBHZEUPAJTP-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000502440010 375645563 /nfs/dbraw/zinc/64/55/63/375645563.db2.gz CKRJQJWMBVEVOV-RCCFBDPRSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000502440010 375645566 /nfs/dbraw/zinc/64/55/66/375645566.db2.gz CKRJQJWMBVEVOV-RCCFBDPRSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)CC1CCCCCC1 ZINC000515557165 375814891 /nfs/dbraw/zinc/81/48/91/375814891.db2.gz SHBKBZTZPIYFML-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CCCCCC1 ZINC000515557165 375814895 /nfs/dbraw/zinc/81/48/95/375814895.db2.gz SHBKBZTZPIYFML-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CCCCCC1 ZINC000515557165 375814898 /nfs/dbraw/zinc/81/48/98/375814898.db2.gz SHBKBZTZPIYFML-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CCCCCC1 ZINC000515557165 375814903 /nfs/dbraw/zinc/81/49/03/375814903.db2.gz SHBKBZTZPIYFML-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CCCCCC1 ZINC000515557165 375814907 /nfs/dbraw/zinc/81/49/07/375814907.db2.gz SHBKBZTZPIYFML-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)OCc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000520564843 375864406 /nfs/dbraw/zinc/86/44/06/375864406.db2.gz DDVCHNGNQWSTBL-ROUUACIJSA-N 2 1 290.451 3.361 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000193360879 375867085 /nfs/dbraw/zinc/86/70/85/375867085.db2.gz SZNFJSRWXXLLMB-QZTJIDSGSA-N 2 1 287.451 3.225 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000336804110 375952836 /nfs/dbraw/zinc/95/28/36/375952836.db2.gz IYWBKKAKAOEEMS-ILXRZTDVSA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000336804110 375952839 /nfs/dbraw/zinc/95/28/39/375952839.db2.gz IYWBKKAKAOEEMS-ILXRZTDVSA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000336804113 375953419 /nfs/dbraw/zinc/95/34/19/375953419.db2.gz IYWBKKAKAOEEMS-RBSFLKMASA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000336804113 375953426 /nfs/dbraw/zinc/95/34/26/375953426.db2.gz IYWBKKAKAOEEMS-RBSFLKMASA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000336803865 375954050 /nfs/dbraw/zinc/95/40/50/375954050.db2.gz AITDZDVQTVSANK-OAHLLOKOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000336803865 375954056 /nfs/dbraw/zinc/95/40/56/375954056.db2.gz AITDZDVQTVSANK-OAHLLOKOSA-N 2 1 263.429 3.340 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000193733517 375917359 /nfs/dbraw/zinc/91/73/59/375917359.db2.gz XKBTVZKAELWHOA-CQSZACIVSA-N 2 1 266.816 3.080 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(OC)c2)CC1 ZINC000193784383 375922765 /nfs/dbraw/zinc/92/27/65/375922765.db2.gz HEUGFLSRHDWIAX-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(OC)c2)CC1 ZINC000193784383 375922772 /nfs/dbraw/zinc/92/27/72/375922772.db2.gz HEUGFLSRHDWIAX-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](C)c2ccccc2)C1 ZINC000194029214 375949855 /nfs/dbraw/zinc/94/98/55/375949855.db2.gz IBHXBZCTPRWSIJ-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194029214 375949861 /nfs/dbraw/zinc/94/98/61/375949861.db2.gz IBHXBZCTPRWSIJ-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000195136641 376083363 /nfs/dbraw/zinc/08/33/63/376083363.db2.gz QYLZFZFRFBMTEN-INIZCTEOSA-N 2 1 284.447 3.287 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)CCC2 ZINC000337281087 376188815 /nfs/dbraw/zinc/18/88/15/376188815.db2.gz VYXNAZPXXXBLCG-UHFFFAOYSA-N 2 1 272.436 3.093 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)CCC2 ZINC000337281087 376188819 /nfs/dbraw/zinc/18/88/19/376188819.db2.gz VYXNAZPXXXBLCG-UHFFFAOYSA-N 2 1 272.436 3.093 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000537637029 376189165 /nfs/dbraw/zinc/18/91/65/376189165.db2.gz IDMUNNSCXMMXPA-UHFFFAOYSA-N 2 1 266.454 3.084 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCSCc1ccccc1 ZINC000337242034 376158995 /nfs/dbraw/zinc/15/89/95/376158995.db2.gz GYPVEZSDCKQMDJ-UHFFFAOYSA-N 2 1 292.492 3.338 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCSCc1ccccc1 ZINC000337242034 376159004 /nfs/dbraw/zinc/15/90/04/376159004.db2.gz GYPVEZSDCKQMDJ-UHFFFAOYSA-N 2 1 292.492 3.338 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc(C)c1F ZINC000537304702 376160918 /nfs/dbraw/zinc/16/09/18/376160918.db2.gz SUNYLEXGPRMPQL-AWEZNQCLSA-N 2 1 276.399 3.355 20 0 CGADMP Cc1cc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)ccc1F ZINC000537305407 376162392 /nfs/dbraw/zinc/16/23/92/376162392.db2.gz RURIYMMHPKUBEF-GOSISDBHSA-N 2 1 288.410 3.437 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000536698634 376123210 /nfs/dbraw/zinc/12/32/10/376123210.db2.gz UYENZCLOFFTRPH-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000536698634 376123213 /nfs/dbraw/zinc/12/32/13/376123213.db2.gz UYENZCLOFFTRPH-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000536698634 376123216 /nfs/dbraw/zinc/12/32/16/376123216.db2.gz UYENZCLOFFTRPH-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000536693852 376123886 /nfs/dbraw/zinc/12/38/86/376123886.db2.gz YQQGQDAGXGEQNE-JKJDWNRSSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000536693852 376123891 /nfs/dbraw/zinc/12/38/91/376123891.db2.gz YQQGQDAGXGEQNE-JKJDWNRSSA-N 2 1 252.446 3.274 20 0 CGADMP COc1ccc(OC)c([C@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000221910258 376224315 /nfs/dbraw/zinc/22/43/15/376224315.db2.gz RKJNHLMKLFORSU-AWEZNQCLSA-N 2 1 294.439 3.085 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222023877 376227536 /nfs/dbraw/zinc/22/75/36/376227536.db2.gz PWCKZATXMLCTSG-XHSDSOJGSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222023877 376227542 /nfs/dbraw/zinc/22/75/42/376227542.db2.gz PWCKZATXMLCTSG-XHSDSOJGSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325977 376351862 /nfs/dbraw/zinc/35/18/62/376351862.db2.gz JXYJWVRPGMRXJU-NEPJUHHUSA-N 2 1 268.351 3.087 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000540178780 376362714 /nfs/dbraw/zinc/36/27/14/376362714.db2.gz NQVWGORUHZCVSV-NVXWUHKLSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000226536792 376363351 /nfs/dbraw/zinc/36/33/51/376363351.db2.gz YLAMYCILCHAIRE-GMXVVIOVSA-N 2 1 252.789 3.070 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000226864719 376374842 /nfs/dbraw/zinc/37/48/42/376374842.db2.gz RGNKHJFSIOTSSK-ORBLRFAASA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000226864719 376374846 /nfs/dbraw/zinc/37/48/46/376374846.db2.gz RGNKHJFSIOTSSK-ORBLRFAASA-N 2 1 272.436 3.313 20 0 CGADMP CCC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000540505197 376377351 /nfs/dbraw/zinc/37/73/51/376377351.db2.gz VPJLSWOEXRKUDY-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000540505197 376377360 /nfs/dbraw/zinc/37/73/60/376377360.db2.gz VPJLSWOEXRKUDY-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@H](C)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000540505197 376377368 /nfs/dbraw/zinc/37/73/68/376377368.db2.gz VPJLSWOEXRKUDY-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC000228474138 376436151 /nfs/dbraw/zinc/43/61/51/376436151.db2.gz PGRWXJUJEBZLII-GUDVDZBRSA-N 2 1 280.415 3.399 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000541547703 376457906 /nfs/dbraw/zinc/45/79/06/376457906.db2.gz QLIFVYZLRWUHEZ-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231459503 376558837 /nfs/dbraw/zinc/55/88/37/376558837.db2.gz HGGQBETZFFNTQF-MRXNPFEDSA-N 2 1 276.424 3.048 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000542464781 376544870 /nfs/dbraw/zinc/54/48/70/376544870.db2.gz JPMDGHXJNLFIAL-NVXWUHKLSA-N 2 1 266.473 3.476 20 0 CGADMP CCOc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC000233790298 376602262 /nfs/dbraw/zinc/60/22/62/376602262.db2.gz ZUQMGGDFWUZSLA-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC000334317329 206359061 /nfs/dbraw/zinc/35/90/61/206359061.db2.gz UTHXFBQFJGLFSN-VXGBXAGGSA-N 2 1 260.406 3.070 20 0 CGADMP CC(C)C1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000232551165 376582410 /nfs/dbraw/zinc/58/24/10/376582410.db2.gz CUAXZDNGGROQLS-SVFSVNPNSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)C1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000232551165 376582417 /nfs/dbraw/zinc/58/24/17/376582417.db2.gz CUAXZDNGGROQLS-SVFSVNPNSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC000235743002 376650706 /nfs/dbraw/zinc/65/07/06/376650706.db2.gz KCIKUIJCQZRRSR-CAOSSQGBSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000543843064 376682648 /nfs/dbraw/zinc/68/26/48/376682648.db2.gz NDXQZVNNOWZYCD-GPMSIDNRSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCc3ccccc3C2)CC[N@H+]1C ZINC000543843064 376682651 /nfs/dbraw/zinc/68/26/51/376682651.db2.gz NDXQZVNNOWZYCD-GPMSIDNRSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCc3ccccc3C2)CC[NH+]1C ZINC000543843064 376682652 /nfs/dbraw/zinc/68/26/52/376682652.db2.gz NDXQZVNNOWZYCD-GPMSIDNRSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCc3ccccc3C2)CC[NH+]1C ZINC000543843064 376682658 /nfs/dbraw/zinc/68/26/58/376682658.db2.gz NDXQZVNNOWZYCD-GPMSIDNRSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000155306821 542122888 /nfs/dbraw/zinc/12/28/88/542122888.db2.gz SCLRWBLJPPMIEV-CPUCHLNUSA-N 2 1 290.426 3.176 20 0 CGADMP Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000545518355 376827724 /nfs/dbraw/zinc/82/77/24/376827724.db2.gz IVJSQIBKARHDQC-CVEARBPZSA-N 2 1 260.425 3.438 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000158905783 542145927 /nfs/dbraw/zinc/14/59/27/542145927.db2.gz QZMCTNBWGRFUAL-CXAGYDPISA-N 2 1 292.854 3.127 20 0 CGADMP CCC(C)(C)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245588159 376862545 /nfs/dbraw/zinc/86/25/45/376862545.db2.gz KGVSPUGHGDUXMD-HUUCEWRRSA-N 2 1 252.446 3.371 20 0 CGADMP CCC(C)(C)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245588159 376862550 /nfs/dbraw/zinc/86/25/50/376862550.db2.gz KGVSPUGHGDUXMD-HUUCEWRRSA-N 2 1 252.446 3.371 20 0 CGADMP CCC(C)(C)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245588159 376862553 /nfs/dbraw/zinc/86/25/53/376862553.db2.gz KGVSPUGHGDUXMD-HUUCEWRRSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@H+](C)CC[C@H]1CCC[NH+]1C)CCC2 ZINC000245618190 376869419 /nfs/dbraw/zinc/86/94/19/376869419.db2.gz NCZGVIJKZWRXSQ-HIFRSBDPSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@H]1CCC[NH+]1C)CCC2 ZINC000245618190 376869424 /nfs/dbraw/zinc/86/94/24/376869424.db2.gz NCZGVIJKZWRXSQ-HIFRSBDPSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH+](C)CC[C@H]1CCC[N@@H+]1C)CCC2 ZINC000245618190 376869431 /nfs/dbraw/zinc/86/94/31/376869431.db2.gz NCZGVIJKZWRXSQ-HIFRSBDPSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH+](C)CC[C@H]1CCC[N@H+]1C)CCC2 ZINC000245618190 376869436 /nfs/dbraw/zinc/86/94/36/376869436.db2.gz NCZGVIJKZWRXSQ-HIFRSBDPSA-N 2 1 293.480 3.245 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245656818 376876441 /nfs/dbraw/zinc/87/64/41/376876441.db2.gz DWNHAJKLWCALAG-ARFHVFGLSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245656818 376876451 /nfs/dbraw/zinc/87/64/51/376876451.db2.gz DWNHAJKLWCALAG-ARFHVFGLSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245656818 376876460 /nfs/dbraw/zinc/87/64/60/376876460.db2.gz DWNHAJKLWCALAG-ARFHVFGLSA-N 2 1 250.430 3.125 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245687338 376881149 /nfs/dbraw/zinc/88/11/49/376881149.db2.gz JUIFPRYSIJGJGN-XABWRGDLSA-N 2 1 270.420 3.180 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000556864168 376892784 /nfs/dbraw/zinc/89/27/84/376892784.db2.gz BMPMXVDYPHREHD-ILOCAZANSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000245896395 376927362 /nfs/dbraw/zinc/92/73/62/376927362.db2.gz NCXLVENLIGIELO-QLPKVWCKSA-N 2 1 260.425 3.141 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000340369588 377023534 /nfs/dbraw/zinc/02/35/34/377023534.db2.gz FGNDRJRAAOUIAB-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000340369588 377023536 /nfs/dbraw/zinc/02/35/36/377023536.db2.gz FGNDRJRAAOUIAB-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000340369588 377023540 /nfs/dbraw/zinc/02/35/40/377023540.db2.gz FGNDRJRAAOUIAB-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000246275484 377003033 /nfs/dbraw/zinc/00/30/33/377003033.db2.gz BALSRYUZGAUCBB-VBNZEHGJSA-N 2 1 296.842 3.100 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2(C)CC2)C1 ZINC000558970367 377058253 /nfs/dbraw/zinc/05/82/53/377058253.db2.gz ASGAFDZOILBJLN-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2(C)CC2)C1 ZINC000558970367 377058261 /nfs/dbraw/zinc/05/82/61/377058261.db2.gz ASGAFDZOILBJLN-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCSCC(C)C)[C@@H](C)C1 ZINC000246721307 377077073 /nfs/dbraw/zinc/07/70/73/377077073.db2.gz OCRRTHANUFOYRP-HOTGVXAUSA-N 2 1 286.529 3.428 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCSCC(C)C)[C@@H](C)C1 ZINC000246721307 377077079 /nfs/dbraw/zinc/07/70/79/377077079.db2.gz OCRRTHANUFOYRP-HOTGVXAUSA-N 2 1 286.529 3.428 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSCC(C)C)[C@@H](C)C1 ZINC000246721307 377077084 /nfs/dbraw/zinc/07/70/84/377077084.db2.gz OCRRTHANUFOYRP-HOTGVXAUSA-N 2 1 286.529 3.428 20 0 CGADMP Cc1ccc(CCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000559310675 377077505 /nfs/dbraw/zinc/07/75/05/377077505.db2.gz BZKZMVQGMGOXJN-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000559310675 377077510 /nfs/dbraw/zinc/07/75/10/377077510.db2.gz BZKZMVQGMGOXJN-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000559310675 377077513 /nfs/dbraw/zinc/07/75/13/377077513.db2.gz BZKZMVQGMGOXJN-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246946546 377125191 /nfs/dbraw/zinc/12/51/91/377125191.db2.gz QYONCABRSFKXIL-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246946546 377125200 /nfs/dbraw/zinc/12/52/00/377125200.db2.gz QYONCABRSFKXIL-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246946546 377125212 /nfs/dbraw/zinc/12/52/12/377125212.db2.gz QYONCABRSFKXIL-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246946546 377125224 /nfs/dbraw/zinc/12/52/24/377125224.db2.gz QYONCABRSFKXIL-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000559880697 377103780 /nfs/dbraw/zinc/10/37/80/377103780.db2.gz QFQPSCXFCFNDOS-DKIMLUQUSA-N 2 1 272.436 3.253 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000247018363 377139483 /nfs/dbraw/zinc/13/94/83/377139483.db2.gz LREBMKPSJJHVJK-HIFRSBDPSA-N 2 1 276.424 3.225 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000560364863 377143349 /nfs/dbraw/zinc/14/33/49/377143349.db2.gz NVZHFGJUROREDK-ORQFMDKSSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000560364863 377143359 /nfs/dbraw/zinc/14/33/59/377143359.db2.gz NVZHFGJUROREDK-ORQFMDKSSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000560364863 377143372 /nfs/dbraw/zinc/14/33/72/377143372.db2.gz NVZHFGJUROREDK-ORQFMDKSSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000560364863 377143385 /nfs/dbraw/zinc/14/33/85/377143385.db2.gz NVZHFGJUROREDK-ORQFMDKSSA-N 2 1 264.457 3.251 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000247081835 377155556 /nfs/dbraw/zinc/15/55/56/377155556.db2.gz ZFISUOWMKLCHHA-LYNDAMRFSA-N 2 1 250.430 3.026 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[NH+](C)C ZINC000562020018 377267156 /nfs/dbraw/zinc/26/71/56/377267156.db2.gz QYAZODZERQZEQP-PMPSAXMXSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCOC1 ZINC000247942382 377246829 /nfs/dbraw/zinc/24/68/29/377246829.db2.gz DCAZXMMUHVZBKF-RYQLBKOJSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000248001001 377255411 /nfs/dbraw/zinc/25/54/11/377255411.db2.gz KJGVKGZVOJNILV-MTSZKFMLSA-N 2 1 296.499 3.146 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249036345 377446780 /nfs/dbraw/zinc/44/67/80/377446780.db2.gz STBOVCCGZNPZHI-OZSLIKBDSA-N 2 1 264.457 3.416 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000248860531 377415167 /nfs/dbraw/zinc/41/51/67/377415167.db2.gz MDBJXOAXSAVUEY-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000563443560 377467921 /nfs/dbraw/zinc/46/79/21/377467921.db2.gz URRJPVVGXBKFDO-JKSUJKDBSA-N 2 1 264.457 3.277 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000265107693 190158091 /nfs/dbraw/zinc/15/80/91/190158091.db2.gz BIDOTUXKODPGQP-KRWDZBQOSA-N 2 1 282.431 3.266 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000249952053 377542950 /nfs/dbraw/zinc/54/29/50/377542950.db2.gz IVOMHDHCEJZTGC-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000249952053 377542957 /nfs/dbraw/zinc/54/29/57/377542957.db2.gz IVOMHDHCEJZTGC-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP Cc1cnccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000294662254 249074464 /nfs/dbraw/zinc/07/44/64/249074464.db2.gz CQSDZFXKCYPCFJ-UHFFFAOYSA-N 2 1 275.440 3.134 20 0 CGADMP Cc1cnccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000294662254 249074465 /nfs/dbraw/zinc/07/44/65/249074465.db2.gz CQSDZFXKCYPCFJ-UHFFFAOYSA-N 2 1 275.440 3.134 20 0 CGADMP CCC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249786103 377534716 /nfs/dbraw/zinc/53/47/16/377534716.db2.gz RSZZUXGECRSPFB-AKZYDZMLSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000341397165 377549369 /nfs/dbraw/zinc/54/93/69/377549369.db2.gz NFDJKXVLWTXHTE-ABXWRUBCSA-N 2 1 292.389 3.427 20 0 CGADMP CCCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000470012172 249165394 /nfs/dbraw/zinc/16/53/94/249165394.db2.gz PUZGDUPKJJHKOG-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000470012172 249165398 /nfs/dbraw/zinc/16/53/98/249165398.db2.gz PUZGDUPKJJHKOG-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP CCC[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000469887398 249161992 /nfs/dbraw/zinc/16/19/92/249161992.db2.gz GAOLVHYEPXJTHP-OWSLCNJRSA-N 2 1 272.436 3.239 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000250587805 377562993 /nfs/dbraw/zinc/56/29/93/377562993.db2.gz OVHHZXIZZGGPLL-GOEBONIOSA-N 2 1 276.424 3.033 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000469990948 249165101 /nfs/dbraw/zinc/16/51/01/249165101.db2.gz IBDZDUZPAZRRMT-HNNXBMFYSA-N 2 1 286.419 3.481 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000469990948 249165103 /nfs/dbraw/zinc/16/51/03/249165103.db2.gz IBDZDUZPAZRRMT-HNNXBMFYSA-N 2 1 286.419 3.481 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251137895 377574179 /nfs/dbraw/zinc/57/41/79/377574179.db2.gz INAJIJHBFYJATO-ILXRZTDVSA-N 2 1 250.430 3.172 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000250820189 377567693 /nfs/dbraw/zinc/56/76/93/377567693.db2.gz RMXUDRNGZKRTFV-NVXWUHKLSA-N 2 1 258.409 3.213 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000516580863 249237642 /nfs/dbraw/zinc/23/76/42/249237642.db2.gz USNSWCFENFINDF-KBXCAEBGSA-N 2 1 281.403 3.060 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251330938 377580261 /nfs/dbraw/zinc/58/02/61/377580261.db2.gz OGNWEZLRTROZDT-QZWWFDLISA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000251931332 377605710 /nfs/dbraw/zinc/60/57/10/377605710.db2.gz YTHORQVSEZFYIM-WCQYABFASA-N 2 1 266.454 3.215 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000251931340 377606149 /nfs/dbraw/zinc/60/61/49/377606149.db2.gz YTINSCANEUXVIS-RHSMWYFYSA-N 2 1 260.425 3.054 20 0 CGADMP CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252410433 377621013 /nfs/dbraw/zinc/62/10/13/377621013.db2.gz LMDNNZYEXYWRGY-NIOBXDJOSA-N 2 1 250.430 3.170 20 0 CGADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000252449277 377623231 /nfs/dbraw/zinc/62/32/31/377623231.db2.gz ZMIIBXQPJZXDJZ-DOTOQJQBSA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000252449277 377623240 /nfs/dbraw/zinc/62/32/40/377623240.db2.gz ZMIIBXQPJZXDJZ-DOTOQJQBSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000180727688 542214694 /nfs/dbraw/zinc/21/46/94/542214694.db2.gz FVCZNSXDLYVBRV-AWEZNQCLSA-N 2 1 292.471 3.127 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696409 377652354 /nfs/dbraw/zinc/65/23/54/377652354.db2.gz AATZSIBHEJZWPU-IJLUTSLNSA-N 2 1 284.350 3.018 20 0 CGADMP CCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000252802371 377664340 /nfs/dbraw/zinc/66/43/40/377664340.db2.gz MMLZTDNCKQMIRO-KSSFIOAISA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000252802371 377664349 /nfs/dbraw/zinc/66/43/49/377664349.db2.gz MMLZTDNCKQMIRO-KSSFIOAISA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000252802371 377664359 /nfs/dbraw/zinc/66/43/59/377664359.db2.gz MMLZTDNCKQMIRO-KSSFIOAISA-N 2 1 288.435 3.291 20 0 CGADMP COCC[NH2+]C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000574458035 377665368 /nfs/dbraw/zinc/66/53/68/377665368.db2.gz VJFMLVNKVPCMAO-UHFFFAOYSA-N 2 1 298.430 3.040 20 0 CGADMP C[NH+](C/C=C\C[N@H+](C)CC1CCC1)CC1CCC1 ZINC000255140445 377736079 /nfs/dbraw/zinc/73/60/79/377736079.db2.gz YUXKZZOVSLXHAH-ARJAWSKDSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000261590964 377823911 /nfs/dbraw/zinc/82/39/11/377823911.db2.gz UXRWTLQJTUKKNO-HLTSFMKQSA-N 2 1 261.196 3.380 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC000261612435 377826345 /nfs/dbraw/zinc/82/63/45/377826345.db2.gz SPWCTZATTMIEFE-UHFFFAOYSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261632920 377831383 /nfs/dbraw/zinc/83/13/83/377831383.db2.gz BLGCWRCSCRCULR-NHYWBVRUSA-N 2 1 284.350 3.020 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261653712 377834026 /nfs/dbraw/zinc/83/40/26/377834026.db2.gz YLZGYHPCYVEACY-VNQPRFMTSA-N 2 1 278.827 3.475 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261653712 377834033 /nfs/dbraw/zinc/83/40/33/377834033.db2.gz YLZGYHPCYVEACY-VNQPRFMTSA-N 2 1 278.827 3.475 20 0 CGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000261991358 377875148 /nfs/dbraw/zinc/87/51/48/377875148.db2.gz SKRITGWIMLOACV-QGZVFWFLSA-N 2 1 278.415 3.454 20 0 CGADMP c1ccc(C[C@@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262216998 377892201 /nfs/dbraw/zinc/89/22/01/377892201.db2.gz MGOHXGTXKVJOKI-SFHVURJKSA-N 2 1 272.436 3.083 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1c1ccccc1 ZINC000261706642 377841872 /nfs/dbraw/zinc/84/18/72/377841872.db2.gz KDJXFUMPYQHASN-MSOLQXFVSA-N 2 1 272.436 3.241 20 0 CGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000261727338 377844778 /nfs/dbraw/zinc/84/47/78/377844778.db2.gz GSMFQOYCRQDMJP-CQSZACIVSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000261727338 377844783 /nfs/dbraw/zinc/84/47/83/377844783.db2.gz GSMFQOYCRQDMJP-CQSZACIVSA-N 2 1 286.341 3.137 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000261822603 377856567 /nfs/dbraw/zinc/85/65/67/377856567.db2.gz PLAGGRPXWIOBNQ-OAHLLOKOSA-N 2 1 260.406 3.072 20 0 CGADMP C[N@H+](Cc1cccc2cnccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000183092718 542229116 /nfs/dbraw/zinc/22/91/16/542229116.db2.gz TXMXWWLDJPUJHZ-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2cnccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000183092718 542229119 /nfs/dbraw/zinc/22/91/19/542229119.db2.gz TXMXWWLDJPUJHZ-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2cnccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000183092718 542229122 /nfs/dbraw/zinc/22/91/22/542229122.db2.gz TXMXWWLDJPUJHZ-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261868813 377861189 /nfs/dbraw/zinc/86/11/89/377861189.db2.gz YQYQQPXZSTZJHP-RDJZCZTQSA-N 2 1 272.436 3.168 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000577838379 378016236 /nfs/dbraw/zinc/01/62/36/378016236.db2.gz SWMITDRKQAOVOT-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP CCCC[N@H+](C)CC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000268366803 378054077 /nfs/dbraw/zinc/05/40/77/378054077.db2.gz XVOWJIGGYAQZKR-UHFFFAOYSA-N 2 1 275.440 3.338 20 0 CGADMP CCCC[N@@H+](C)CC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000268366803 378054079 /nfs/dbraw/zinc/05/40/79/378054079.db2.gz XVOWJIGGYAQZKR-UHFFFAOYSA-N 2 1 275.440 3.338 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268918798 378153462 /nfs/dbraw/zinc/15/34/62/378153462.db2.gz PTCUMRANANLTBP-ZIAGYGMSSA-N 2 1 299.418 3.209 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000268849931 378130100 /nfs/dbraw/zinc/13/01/00/378130100.db2.gz WGDHXHIAMQXTTC-LJQANCHMSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC000268849363 378130858 /nfs/dbraw/zinc/13/08/58/378130858.db2.gz PMAYDWQDAUHSEV-YOEHRIQHSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000268871333 378136749 /nfs/dbraw/zinc/13/67/49/378136749.db2.gz PEYJVDANNOWASX-AWEZNQCLSA-N 2 1 289.398 3.332 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000268884989 378143283 /nfs/dbraw/zinc/14/32/83/378143283.db2.gz SOAXEPDGBBRDEQ-QGZVFWFLSA-N 2 1 299.418 3.394 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000579313940 378148437 /nfs/dbraw/zinc/14/84/37/378148437.db2.gz UVAILUCBWCONPX-ROUUACIJSA-N 2 1 283.419 3.437 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000579837625 378200226 /nfs/dbraw/zinc/20/02/26/378200226.db2.gz KGXXSGKBXNINCN-SJLPKXTDSA-N 2 1 274.452 3.358 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000579854830 378202764 /nfs/dbraw/zinc/20/27/64/378202764.db2.gz MKGXXJFOBNJTQQ-OCCSQVGLSA-N 2 1 287.432 3.122 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000579854830 378202771 /nfs/dbraw/zinc/20/27/71/378202771.db2.gz MKGXXJFOBNJTQQ-OCCSQVGLSA-N 2 1 287.432 3.122 20 0 CGADMP C[N@H+]1CC=C(C[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000345143946 378204072 /nfs/dbraw/zinc/20/40/72/378204072.db2.gz QHYSWFOPLASEAU-UHFFFAOYSA-N 2 1 299.443 3.162 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000345143946 378204081 /nfs/dbraw/zinc/20/40/81/378204081.db2.gz QHYSWFOPLASEAU-UHFFFAOYSA-N 2 1 299.443 3.162 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000579488878 378165539 /nfs/dbraw/zinc/16/55/39/378165539.db2.gz YVUWTNAQDCVSFG-HLLBOEOZSA-N 2 1 260.425 3.067 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579554054 378171526 /nfs/dbraw/zinc/17/15/26/378171526.db2.gz AQSHEPVPILZDAJ-LVQVYYBASA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579554054 378171532 /nfs/dbraw/zinc/17/15/32/378171532.db2.gz AQSHEPVPILZDAJ-LVQVYYBASA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000270414487 378348800 /nfs/dbraw/zinc/34/88/00/378348800.db2.gz FCKJJTYUMXJZTG-QGZVFWFLSA-N 2 1 288.435 3.056 20 0 CGADMP Cc1nccn1CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000270868011 378407582 /nfs/dbraw/zinc/40/75/82/378407582.db2.gz TXXLJSTWCWMOMB-CQSZACIVSA-N 2 1 261.394 3.090 20 0 CGADMP CC(C)[C@H]1CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000346173623 378490513 /nfs/dbraw/zinc/49/05/13/378490513.db2.gz KKSHXTBZKZQXRU-CQSZACIVSA-N 2 1 261.394 3.164 20 0 CGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000271486976 378495863 /nfs/dbraw/zinc/49/58/63/378495863.db2.gz OFPHZLKAMAVUDN-UNEWFSDZSA-N 2 1 288.435 3.145 20 0 CGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000271486976 378495871 /nfs/dbraw/zinc/49/58/71/378495871.db2.gz OFPHZLKAMAVUDN-UNEWFSDZSA-N 2 1 288.435 3.145 20 0 CGADMP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346193264 378499175 /nfs/dbraw/zinc/49/91/75/378499175.db2.gz FQJALSCKRHKCQK-XJKSGUPXSA-N 2 1 284.407 3.196 20 0 CGADMP CC[C@@]1(C)CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346202728 378504119 /nfs/dbraw/zinc/50/41/19/378504119.db2.gz OPAQBLIUKHLQSL-KRWDZBQOSA-N 2 1 284.407 3.198 20 0 CGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271891541 378511793 /nfs/dbraw/zinc/51/17/93/378511793.db2.gz SARVJMYPBSTUSC-PBHICJAKSA-N 2 1 270.420 3.395 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000346330592 378546985 /nfs/dbraw/zinc/54/69/85/378546985.db2.gz NOVVTVWQUGBBCQ-CQSZACIVSA-N 2 1 298.434 3.444 20 0 CGADMP C[C@H]([NH2+]C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272576157 378668121 /nfs/dbraw/zinc/66/81/21/378668121.db2.gz PVCZIIFDSDTVKD-HOCLYGCPSA-N 2 1 258.409 3.039 20 0 CGADMP COc1ccccc1/C=C/C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346686609 378674157 /nfs/dbraw/zinc/67/41/57/378674157.db2.gz RPLASAXQSJSCHM-DYLHUKMJSA-N 2 1 276.424 3.014 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cccc(F)c1N ZINC000638278144 378753459 /nfs/dbraw/zinc/75/34/59/378753459.db2.gz GCTKZNJADXUQLM-UHFFFAOYSA-N 2 1 281.419 3.010 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2OC)[C@@H](C)C1 ZINC000638114883 378704785 /nfs/dbraw/zinc/70/47/85/378704785.db2.gz ZJVWNAAAYOEJFN-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2OC)[C@@H](C)C1 ZINC000638114883 378704790 /nfs/dbraw/zinc/70/47/90/378704790.db2.gz ZJVWNAAAYOEJFN-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2OC)[C@@H](C)C1 ZINC000638114883 378704794 /nfs/dbraw/zinc/70/47/94/378704794.db2.gz ZJVWNAAAYOEJFN-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2OC)[C@@H](C)C1 ZINC000638114883 378704800 /nfs/dbraw/zinc/70/48/00/378704800.db2.gz ZJVWNAAAYOEJFN-DOTOQJQBSA-N 2 1 290.451 3.166 20 0 CGADMP CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638297804 378760063 /nfs/dbraw/zinc/76/00/63/378760063.db2.gz AIQPFFJVZZKWBQ-DOTOQJQBSA-N 2 1 258.409 3.354 20 0 CGADMP CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638297804 378760064 /nfs/dbraw/zinc/76/00/64/378760064.db2.gz AIQPFFJVZZKWBQ-DOTOQJQBSA-N 2 1 258.409 3.354 20 0 CGADMP Cc1ccccc1C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000348070509 378776442 /nfs/dbraw/zinc/77/64/42/378776442.db2.gz JGGKSQVIPXGWFC-QGZVFWFLSA-N 2 1 272.436 3.444 20 0 CGADMP Cc1ccccc1C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000348070509 378776446 /nfs/dbraw/zinc/77/64/46/378776446.db2.gz JGGKSQVIPXGWFC-QGZVFWFLSA-N 2 1 272.436 3.444 20 0 CGADMP Cc1ccccc1C[N@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000348070509 378776448 /nfs/dbraw/zinc/77/64/48/378776448.db2.gz JGGKSQVIPXGWFC-QGZVFWFLSA-N 2 1 272.436 3.444 20 0 CGADMP CO[C@@](C)(C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000638365757 378779768 /nfs/dbraw/zinc/77/97/68/378779768.db2.gz HNBGGGKNKZNFTI-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP COCC1(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000638367244 378781114 /nfs/dbraw/zinc/78/11/14/378781114.db2.gz UBGQPGWKDMEVPW-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000348111197 378797739 /nfs/dbraw/zinc/79/77/39/378797739.db2.gz OASQKNGNFIJDDA-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346843537 218034415 /nfs/dbraw/zinc/03/44/15/218034415.db2.gz JWRGCPBLSWYVAT-HOCLYGCPSA-N 2 1 292.854 3.347 20 0 CGADMP Cc1ccoc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000266234750 190242284 /nfs/dbraw/zinc/24/22/84/190242284.db2.gz VRILWMIBAILYIS-UHFFFAOYSA-N 2 1 284.403 3.474 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@H]21 ZINC000346838319 218029829 /nfs/dbraw/zinc/02/98/29/218029829.db2.gz WXUXOUYLEZDLQT-NUEKZKHPSA-N 2 1 286.444 3.461 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC000638587209 378843513 /nfs/dbraw/zinc/84/35/13/378843513.db2.gz BXEWQMVQOHWJRC-OAGGEKHMSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348241549 378859357 /nfs/dbraw/zinc/85/93/57/378859357.db2.gz JJGZBVDGGYWQOZ-SJORKVTESA-N 2 1 260.425 3.112 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348241549 378859364 /nfs/dbraw/zinc/85/93/64/378859364.db2.gz JJGZBVDGGYWQOZ-SJORKVTESA-N 2 1 260.425 3.112 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(C)n1 ZINC000346872299 218042651 /nfs/dbraw/zinc/04/26/51/218042651.db2.gz GJKHZUKELPQDDK-KBPBESRZSA-N 2 1 290.455 3.009 20 0 CGADMP COc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000638566699 378838128 /nfs/dbraw/zinc/83/81/28/378838128.db2.gz NGTXQFUDRCRPCI-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP COc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000638566699 378838132 /nfs/dbraw/zinc/83/81/32/378838132.db2.gz NGTXQFUDRCRPCI-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2F)C[C@@H]1C ZINC000346959556 218071237 /nfs/dbraw/zinc/07/12/37/218071237.db2.gz PMFLKWJTLWEYBP-HOCLYGCPSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2F)C[C@@H]1C ZINC000346959556 218071239 /nfs/dbraw/zinc/07/12/39/218071239.db2.gz PMFLKWJTLWEYBP-HOCLYGCPSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2F)C[C@@H]1C ZINC000346959556 218071240 /nfs/dbraw/zinc/07/12/40/218071240.db2.gz PMFLKWJTLWEYBP-HOCLYGCPSA-N 2 1 278.415 3.173 20 0 CGADMP CC1CCC([N@@H+](C[C@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347001753 218086230 /nfs/dbraw/zinc/08/62/30/218086230.db2.gz HSNZXVYCSUDGQZ-GPQLOAJWSA-N 2 1 294.483 3.046 20 0 CGADMP CSc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275303965 378955655 /nfs/dbraw/zinc/95/56/55/378955655.db2.gz QOZKLYDOQVTRIM-CJNGLKHVSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275303965 378955663 /nfs/dbraw/zinc/95/56/63/378955663.db2.gz QOZKLYDOQVTRIM-CJNGLKHVSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275303965 378955667 /nfs/dbraw/zinc/95/56/67/378955667.db2.gz QOZKLYDOQVTRIM-CJNGLKHVSA-N 2 1 278.465 3.181 20 0 CGADMP CSc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275303965 378955671 /nfs/dbraw/zinc/95/56/71/378955671.db2.gz QOZKLYDOQVTRIM-CJNGLKHVSA-N 2 1 278.465 3.181 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000276688583 378980066 /nfs/dbraw/zinc/98/00/66/378980066.db2.gz RSJBDIIOHPVLDV-GOSISDBHSA-N 2 1 283.419 3.484 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)oc2cc1C ZINC000347091868 218120294 /nfs/dbraw/zinc/12/02/94/218120294.db2.gz GSLJLUMGUFIGFI-CZUORRHYSA-N 2 1 272.392 3.219 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000347099331 218120797 /nfs/dbraw/zinc/12/07/97/218120797.db2.gz KQQRBFNRVRDCOA-CYBMUJFWSA-N 2 1 288.366 3.256 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111400 218125232 /nfs/dbraw/zinc/12/52/32/218125232.db2.gz QDOISWDHDLMHFB-HNAYVOBHSA-N 2 1 295.430 3.450 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111400 218125234 /nfs/dbraw/zinc/12/52/34/218125234.db2.gz QDOISWDHDLMHFB-HNAYVOBHSA-N 2 1 295.430 3.450 20 0 CGADMP CCC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CC[NH2+]CC1 ZINC000347207219 218154988 /nfs/dbraw/zinc/15/49/88/218154988.db2.gz MNZUIWOXCPNWOU-UHFFFAOYSA-N 2 1 298.434 3.041 20 0 CGADMP CCC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CC[NH2+]CC1 ZINC000347207219 218154990 /nfs/dbraw/zinc/15/49/90/218154990.db2.gz MNZUIWOXCPNWOU-UHFFFAOYSA-N 2 1 298.434 3.041 20 0 CGADMP Cc1cc(C)c(/C=C\CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1C ZINC000639113212 379035693 /nfs/dbraw/zinc/03/56/93/379035693.db2.gz KYYNLNOPNMBGQJ-WOQGQJNTSA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000639113212 379035709 /nfs/dbraw/zinc/03/57/09/379035709.db2.gz KYYNLNOPNMBGQJ-WOQGQJNTSA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000639113212 379035717 /nfs/dbraw/zinc/03/57/17/379035717.db2.gz KYYNLNOPNMBGQJ-WOQGQJNTSA-N 2 1 284.447 3.118 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000639170055 379089125 /nfs/dbraw/zinc/08/91/25/379089125.db2.gz OYJONTJBVHQPNH-MRXNPFEDSA-N 2 1 290.451 3.164 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000277187253 379093522 /nfs/dbraw/zinc/09/35/22/379093522.db2.gz IJHPGYXMDMKVAU-UHFFFAOYSA-N 2 1 258.409 3.138 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277394591 379148725 /nfs/dbraw/zinc/14/87/25/379148725.db2.gz ZAKSZRZRSDAPBG-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277394591 379148733 /nfs/dbraw/zinc/14/87/33/379148733.db2.gz ZAKSZRZRSDAPBG-QGZVFWFLSA-N 2 1 290.451 3.390 20 0 CGADMP Cc1ccccc1C1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000278783043 194152552 /nfs/dbraw/zinc/15/25/52/194152552.db2.gz PYTMHLFADIQWQW-CSRJKQTDSA-N 2 1 284.447 3.456 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccnc1C ZINC000349182787 379180956 /nfs/dbraw/zinc/18/09/56/379180956.db2.gz GKPOVEGONQTPKJ-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccnc1C ZINC000349182787 379180960 /nfs/dbraw/zinc/18/09/60/379180960.db2.gz GKPOVEGONQTPKJ-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C)o1 ZINC000278848055 194181837 /nfs/dbraw/zinc/18/18/37/194181837.db2.gz VKVKVAUITIFQIW-QEJZJMRPSA-N 2 1 264.413 3.420 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)cc1 ZINC000349354815 379244354 /nfs/dbraw/zinc/24/43/54/379244354.db2.gz TXDVLZSWPPZTRQ-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)cc1 ZINC000349354815 379244361 /nfs/dbraw/zinc/24/43/61/379244361.db2.gz TXDVLZSWPPZTRQ-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP CC(C)C1(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000639337390 379291636 /nfs/dbraw/zinc/29/16/36/379291636.db2.gz MMUYFARCUJFCQG-MRXNPFEDSA-N 2 1 264.457 3.134 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2[nH]ccc21 ZINC000349371897 379256382 /nfs/dbraw/zinc/25/63/82/379256382.db2.gz UJZYJOLJOXJFIN-UHFFFAOYSA-N 2 1 285.435 3.476 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)c(O)c(C)c1 ZINC000349407597 379271399 /nfs/dbraw/zinc/27/13/99/379271399.db2.gz OOFNZFRKYJQXIR-UHFFFAOYSA-N 2 1 290.451 3.317 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)Cc1ccccc1 ZINC000349417584 379276929 /nfs/dbraw/zinc/27/69/29/379276929.db2.gz LYSNVLYBYCXWGG-MRXNPFEDSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)Cc1ccccc1 ZINC000349417584 379276943 /nfs/dbraw/zinc/27/69/43/379276943.db2.gz LYSNVLYBYCXWGG-MRXNPFEDSA-N 2 1 285.435 3.392 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C(C)C ZINC000373693834 379321075 /nfs/dbraw/zinc/32/10/75/379321075.db2.gz DJINMVYQVORMIM-OKZBNKHCSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000278918130 194212179 /nfs/dbraw/zinc/21/21/79/194212179.db2.gz HNLBSKJXDGZABS-CHWSQXEVSA-N 2 1 275.421 3.166 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C(C)C ZINC000373693837 379321871 /nfs/dbraw/zinc/32/18/71/379321871.db2.gz DJINMVYQVORMIM-RCCFBDPRSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278988588 194243118 /nfs/dbraw/zinc/24/31/18/194243118.db2.gz PUWUBUFZDMFWCB-CVEARBPZSA-N 2 1 283.419 3.413 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681712 379544884 /nfs/dbraw/zinc/54/48/84/379544884.db2.gz CFTIWTQFNDPTMQ-YWEYNIOJSA-N 2 1 293.414 3.307 20 0 CGADMP CC[C@@](C)([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000639928469 379649833 /nfs/dbraw/zinc/64/98/33/379649833.db2.gz MCRFCPZMPRWQHF-MRXNPFEDSA-N 2 1 275.371 3.246 20 0 CGADMP CC[C@](C)([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000639927269 379650097 /nfs/dbraw/zinc/65/00/97/379650097.db2.gz FEOAJXOKRVEHRJ-KRWDZBQOSA-N 2 1 289.398 3.407 20 0 CGADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000377266437 379657962 /nfs/dbraw/zinc/65/79/62/379657962.db2.gz KDGDMHWLWBXRKK-KRWDZBQOSA-N 2 1 283.419 3.232 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccn1C ZINC000267208556 190312191 /nfs/dbraw/zinc/31/21/91/190312191.db2.gz BFUDLRNPCVTBCJ-QFBILLFUSA-N 2 1 297.446 3.025 20 0 CGADMP Fc1ccc2c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c2c1 ZINC000377387884 379669675 /nfs/dbraw/zinc/66/96/75/379669675.db2.gz WPVDXVICKQKNAL-KGLIPLIRSA-N 2 1 285.366 3.413 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000639988400 379678707 /nfs/dbraw/zinc/67/87/07/379678707.db2.gz RDYKQCVXZHHOLB-INIZCTEOSA-N 2 1 262.441 3.436 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000640219913 379748758 /nfs/dbraw/zinc/74/87/58/379748758.db2.gz OTXOPCYLEOVZKI-KRWDZBQOSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000640219913 379748761 /nfs/dbraw/zinc/74/87/61/379748761.db2.gz OTXOPCYLEOVZKI-KRWDZBQOSA-N 2 1 275.440 3.397 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377619736 379706631 /nfs/dbraw/zinc/70/66/31/379706631.db2.gz DRYKAWCCBBFJGW-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377619736 379706641 /nfs/dbraw/zinc/70/66/41/379706641.db2.gz DRYKAWCCBBFJGW-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377619736 379706647 /nfs/dbraw/zinc/70/66/47/379706647.db2.gz DRYKAWCCBBFJGW-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)n1 ZINC000267466658 190332299 /nfs/dbraw/zinc/33/22/99/190332299.db2.gz WMYBNOOPOWYYGT-QGZVFWFLSA-N 2 1 281.403 3.278 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000280687925 379764423 /nfs/dbraw/zinc/76/44/23/379764423.db2.gz ATCZOFCBAGQQNO-LEUOFYLZSA-N 2 1 272.436 3.253 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535139 379846481 /nfs/dbraw/zinc/84/64/81/379846481.db2.gz NEAFPQGTEPNFCS-SFHVURJKSA-N 2 1 284.403 3.317 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)oc1C ZINC000282162846 379865399 /nfs/dbraw/zinc/86/53/99/379865399.db2.gz LUQVLMHFIBGKRZ-DGCLKSJQSA-N 2 1 275.396 3.388 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCOC(C)(C)C ZINC000640533204 379820419 /nfs/dbraw/zinc/82/04/19/379820419.db2.gz PBJPSGQJTVTEBQ-UHFFFAOYSA-N 2 1 284.488 3.390 20 0 CGADMP Cc1ccccc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000378423898 379822722 /nfs/dbraw/zinc/82/27/22/379822722.db2.gz CNPQUTRJUHRVDL-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000378423898 379822725 /nfs/dbraw/zinc/82/27/25/379822725.db2.gz CNPQUTRJUHRVDL-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000378423898 379822729 /nfs/dbraw/zinc/82/27/29/379822729.db2.gz CNPQUTRJUHRVDL-UHFFFAOYSA-N 2 1 258.409 3.055 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000392272156 379911405 /nfs/dbraw/zinc/91/14/05/379911405.db2.gz VLBUYJCMXTZNNG-ZBKGVPMPSA-N 2 1 288.479 3.443 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000392245494 379911621 /nfs/dbraw/zinc/91/16/21/379911621.db2.gz PORQPMIWIPQOGI-HNNXBMFYSA-N 2 1 284.447 3.478 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@]1(C)CCCS1 ZINC000392864074 379913036 /nfs/dbraw/zinc/91/30/36/379913036.db2.gz GAZFPAQHUJZESF-GJZGRUSLSA-N 2 1 270.486 3.126 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C)C[C@@H]1C ZINC000352617332 379880498 /nfs/dbraw/zinc/88/04/98/379880498.db2.gz AWQPHSGEXQSFGP-YOEHRIQHSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C)C[C@@H]1C ZINC000352617332 379880502 /nfs/dbraw/zinc/88/05/02/379880502.db2.gz AWQPHSGEXQSFGP-YOEHRIQHSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C)C[C@@H]1C ZINC000352617332 379880507 /nfs/dbraw/zinc/88/05/07/379880507.db2.gz AWQPHSGEXQSFGP-YOEHRIQHSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C)C[C@@H]1C ZINC000352617332 379880511 /nfs/dbraw/zinc/88/05/11/379880511.db2.gz AWQPHSGEXQSFGP-YOEHRIQHSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C)C[C@@H]1C ZINC000352617331 379881271 /nfs/dbraw/zinc/88/12/71/379881271.db2.gz AWQPHSGEXQSFGP-WMLDXEAASA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C)C[C@@H]1C ZINC000352617331 379881277 /nfs/dbraw/zinc/88/12/77/379881277.db2.gz AWQPHSGEXQSFGP-WMLDXEAASA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C)C[C@@H]1C ZINC000352617331 379881283 /nfs/dbraw/zinc/88/12/83/379881283.db2.gz AWQPHSGEXQSFGP-WMLDXEAASA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C)C[C@@H]1C ZINC000352617331 379881293 /nfs/dbraw/zinc/88/12/93/379881293.db2.gz AWQPHSGEXQSFGP-WMLDXEAASA-N 2 1 278.415 3.439 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389409347 379896554 /nfs/dbraw/zinc/89/65/54/379896554.db2.gz KRCXJNBTNBIGRT-MELADBBJSA-N 2 1 278.827 3.332 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000334642012 206845904 /nfs/dbraw/zinc/84/59/04/206845904.db2.gz APFPGFIXYDZJSA-BXUZGUMPSA-N 2 1 282.790 3.019 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398167660 379928922 /nfs/dbraw/zinc/92/89/22/379928922.db2.gz HGAPJXULFHTXNB-MXSMSXNCSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398167660 379928927 /nfs/dbraw/zinc/92/89/27/379928927.db2.gz HGAPJXULFHTXNB-MXSMSXNCSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H](F)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352821294 379980812 /nfs/dbraw/zinc/98/08/12/379980812.db2.gz ANPWQYDESYJACZ-AEFFLSMTSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@H](F)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352821294 379980821 /nfs/dbraw/zinc/98/08/21/379980821.db2.gz ANPWQYDESYJACZ-AEFFLSMTSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@H](F)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352821294 379980825 /nfs/dbraw/zinc/98/08/25/379980825.db2.gz ANPWQYDESYJACZ-AEFFLSMTSA-N 2 1 290.426 3.333 20 0 CGADMP Cc1scc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000399919544 379947179 /nfs/dbraw/zinc/94/71/79/379947179.db2.gz YWPUEPLVLJIQET-GOOCMWNKSA-N 2 1 264.438 3.080 20 0 CGADMP Cc1scc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000399919544 379947186 /nfs/dbraw/zinc/94/71/86/379947186.db2.gz YWPUEPLVLJIQET-GOOCMWNKSA-N 2 1 264.438 3.080 20 0 CGADMP C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000400339071 379949827 /nfs/dbraw/zinc/94/98/27/379949827.db2.gz GYRFMYKWPTUKSN-IINYFYTJSA-N 2 1 287.234 3.266 20 0 CGADMP CCc1ccc([C@H](CC)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401889857 379958599 /nfs/dbraw/zinc/95/85/99/379958599.db2.gz WQRWSVXCCKRHGG-KRWDZBQOSA-N 2 1 271.408 3.266 20 0 CGADMP CSc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000352831019 379990207 /nfs/dbraw/zinc/99/02/07/379990207.db2.gz BQOZVZKGPKSBDF-NSHDSACASA-N 2 1 295.477 3.401 20 0 CGADMP CC[N@H+](C)C[C@H]1CCN(c2cc(C(C)(C)C)cc[nH+]2)C1 ZINC000641407220 379999597 /nfs/dbraw/zinc/99/95/97/379999597.db2.gz YVOXZWPKVJNSEG-CQSZACIVSA-N 2 1 275.440 3.157 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C(C)(C)C)cc[nH+]2)C1 ZINC000641407220 379999602 /nfs/dbraw/zinc/99/96/02/379999602.db2.gz YVOXZWPKVJNSEG-CQSZACIVSA-N 2 1 275.440 3.157 20 0 CGADMP c1ccc(C2CC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000283391338 380060132 /nfs/dbraw/zinc/06/01/32/380060132.db2.gz PPNHZTSGBNJWHH-JDGDGYACSA-N 2 1 284.447 3.397 20 0 CGADMP CO[C@@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284946832 380142187 /nfs/dbraw/zinc/14/21/87/380142187.db2.gz FAKIULXODIWQCT-ZLPCBKJTSA-N 2 1 290.451 3.054 20 0 CGADMP Cc1[nH+]ccn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411407413 380145176 /nfs/dbraw/zinc/14/51/76/380145176.db2.gz LMJQJHKKJFNRQO-UHFFFAOYSA-N 2 1 269.392 3.226 20 0 CGADMP CSC1(C[NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000347946555 218408429 /nfs/dbraw/zinc/40/84/29/218408429.db2.gz RXNCBHZFILYVAY-OAHLLOKOSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000286237520 380180656 /nfs/dbraw/zinc/18/06/56/380180656.db2.gz TVPPSWDPTZHDGC-IRXDYDNUSA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000286237520 380180664 /nfs/dbraw/zinc/18/06/64/380180664.db2.gz TVPPSWDPTZHDGC-IRXDYDNUSA-N 2 1 289.467 3.409 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414189046 380199741 /nfs/dbraw/zinc/19/97/41/380199741.db2.gz QXQSNXZAQCJIJI-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000414194362 380201399 /nfs/dbraw/zinc/20/13/99/380201399.db2.gz VIOBPZXEFRIBLD-DZOHQFGASA-N 2 1 286.463 3.356 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C12CCCC2 ZINC000414198186 380201489 /nfs/dbraw/zinc/20/14/89/380201489.db2.gz WFYQQOYKHPXNFZ-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000353974828 380259786 /nfs/dbraw/zinc/25/97/86/380259786.db2.gz SPJSMIZEYWMCBY-RYUDHWBXSA-N 2 1 266.351 3.181 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000353974828 380259792 /nfs/dbraw/zinc/25/97/92/380259792.db2.gz SPJSMIZEYWMCBY-RYUDHWBXSA-N 2 1 266.351 3.181 20 0 CGADMP c1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCS2)cc1 ZINC000643057913 380208574 /nfs/dbraw/zinc/20/85/74/380208574.db2.gz ZTTHGZKMSUTIDD-DOTOQJQBSA-N 2 1 290.476 3.166 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC[N@@H+]1C ZINC000414300713 380209847 /nfs/dbraw/zinc/20/98/47/380209847.db2.gz LCKMUBSTBHUBQE-KBUPBQIOSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC[N@H+]1C ZINC000414300713 380209852 /nfs/dbraw/zinc/20/98/52/380209852.db2.gz LCKMUBSTBHUBQE-KBUPBQIOSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643507909 380329644 /nfs/dbraw/zinc/32/96/44/380329644.db2.gz VYKFXACUOHSZKH-RYUDHWBXSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000414527533 380300740 /nfs/dbraw/zinc/30/07/40/380300740.db2.gz RJKZROBGECWPSY-ZDUSSCGKSA-N 2 1 284.407 3.196 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000643457620 380310029 /nfs/dbraw/zinc/31/00/29/380310029.db2.gz RBYKNMKHXJQQNX-ZDUSSCGKSA-N 2 1 299.418 3.131 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000414678561 380368848 /nfs/dbraw/zinc/36/88/48/380368848.db2.gz KQCLNWSGWCVIDB-CPUCHLNUSA-N 2 1 276.399 3.351 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414692617 380376374 /nfs/dbraw/zinc/37/63/74/380376374.db2.gz CVBXVPVWLSNYOJ-RYRKJORJSA-N 2 1 274.452 3.246 20 0 CGADMP COc1ccc(C2CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414739211 380389063 /nfs/dbraw/zinc/38/90/63/380389063.db2.gz KCISEZOVYMZXGZ-KRWDZBQOSA-N 2 1 290.451 3.248 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414742285 380390966 /nfs/dbraw/zinc/39/09/66/380390966.db2.gz FZOFUSIYSZWDJS-HZPDHXFCSA-N 2 1 260.425 3.123 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414742110 380391361 /nfs/dbraw/zinc/39/13/61/380391361.db2.gz NEYQWHZIIIEETL-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000643528527 380345032 /nfs/dbraw/zinc/34/50/32/380345032.db2.gz KQKRRNRHCPCUTG-UWVGGRQHSA-N 2 1 274.380 3.042 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000643528730 380345569 /nfs/dbraw/zinc/34/55/69/380345569.db2.gz NQBDNLMOFSSNQK-UWVGGRQHSA-N 2 1 292.370 3.339 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(SCC(F)F)cc1 ZINC000643528528 380345612 /nfs/dbraw/zinc/34/56/12/380345612.db2.gz KQKRRNRHCPCUTG-VHSXEESVSA-N 2 1 274.380 3.042 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1F ZINC000354168676 380353345 /nfs/dbraw/zinc/35/33/45/380353345.db2.gz ZUWGLAPKMZTXLA-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1F ZINC000354168676 380353349 /nfs/dbraw/zinc/35/33/49/380353349.db2.gz ZUWGLAPKMZTXLA-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1F ZINC000354168676 380353351 /nfs/dbraw/zinc/35/33/51/380353351.db2.gz ZUWGLAPKMZTXLA-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1F ZINC000354168676 380353353 /nfs/dbraw/zinc/35/33/53/380353353.db2.gz ZUWGLAPKMZTXLA-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000354180936 380356683 /nfs/dbraw/zinc/35/66/83/380356683.db2.gz KDXVDQKYODIJEW-NVXWUHKLSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000354180936 380356688 /nfs/dbraw/zinc/35/66/88/380356688.db2.gz KDXVDQKYODIJEW-NVXWUHKLSA-N 2 1 289.467 3.033 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545917 380357631 /nfs/dbraw/zinc/35/76/31/380357631.db2.gz FOWBVZDZKPPNFK-GJZGRUSLSA-N 2 1 288.435 3.329 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C(F)(F)F ZINC000414664343 380358419 /nfs/dbraw/zinc/35/84/19/380358419.db2.gz SKFHUJOKYCWTJA-WCQYABFASA-N 2 1 286.341 3.183 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccsc1 ZINC000414811999 380424516 /nfs/dbraw/zinc/42/45/16/380424516.db2.gz KDXJPPRVZYZKJB-OCCSQVGLSA-N 2 1 254.443 3.176 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000414812749 380424562 /nfs/dbraw/zinc/42/45/62/380424562.db2.gz LLCYUUWHJHHFFE-MXASKKJJSA-N 2 1 260.425 3.286 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414821015 380431848 /nfs/dbraw/zinc/43/18/48/380431848.db2.gz BMQZJEIUNIRVRK-ZFWWWQNUSA-N 2 1 266.816 3.175 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414822420 380432238 /nfs/dbraw/zinc/43/22/38/380432238.db2.gz GSVNQYJYBJLZMC-QZTJIDSGSA-N 2 1 290.451 3.309 20 0 CGADMP c1cc(-c2ccccc2)oc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414825288 380434372 /nfs/dbraw/zinc/43/43/72/380434372.db2.gz HAUSOVWAZKHZHU-CQSZACIVSA-N 2 1 270.376 3.036 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414837242 380444421 /nfs/dbraw/zinc/44/44/21/380444421.db2.gz JGQWPLUSNIFJCK-BBRMVZONSA-N 2 1 266.404 3.110 20 0 CGADMP Clc1oc2ccccc2c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414837938 380445645 /nfs/dbraw/zinc/44/56/45/380445645.db2.gz WNNBVPWQBLTYNS-LLVKDONJSA-N 2 1 278.783 3.175 20 0 CGADMP C[C@H](C[NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414851076 380453083 /nfs/dbraw/zinc/45/30/83/380453083.db2.gz SYOPVGDIMZFTCF-BXUZGUMPSA-N 2 1 286.341 3.151 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414798335 380412986 /nfs/dbraw/zinc/41/29/86/380412986.db2.gz QEQKNYWLQDQBGZ-INIZCTEOSA-N 2 1 274.433 3.488 20 0 CGADMP C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414859887 380459466 /nfs/dbraw/zinc/45/94/66/380459466.db2.gz UXDACAQTVXZMJS-MNOVXSKESA-N 2 1 287.234 3.471 20 0 CGADMP CCC1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414879105 380472765 /nfs/dbraw/zinc/47/27/65/380472765.db2.gz ORAMYUZYQOOMSR-UHFFFAOYSA-N 2 1 275.440 3.120 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCOC(C)(C)C)[C@@H](C)C1 ZINC000354685327 380527256 /nfs/dbraw/zinc/52/72/56/380527256.db2.gz YYBQXIJPVMNGHM-HOTGVXAUSA-N 2 1 284.488 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCOC(C)(C)C)[C@@H](C)C1 ZINC000354685327 380527263 /nfs/dbraw/zinc/52/72/63/380527263.db2.gz YYBQXIJPVMNGHM-HOTGVXAUSA-N 2 1 284.488 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCOC(C)(C)C)[C@@H](C)C1 ZINC000354685327 380527268 /nfs/dbraw/zinc/52/72/68/380527268.db2.gz YYBQXIJPVMNGHM-HOTGVXAUSA-N 2 1 284.488 3.244 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000268817186 190436721 /nfs/dbraw/zinc/43/67/21/190436721.db2.gz NVVAHNJRNPSOEM-HNNXBMFYSA-N 2 1 261.344 3.072 20 0 CGADMP C[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000645087799 380575291 /nfs/dbraw/zinc/57/52/91/380575291.db2.gz CXAGNUBFEXFJSY-HNNXBMFYSA-N 2 1 266.473 3.476 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(F)c1 ZINC000268890416 190447616 /nfs/dbraw/zinc/44/76/16/190447616.db2.gz UHGGJVQCSSILPZ-GFCCVEGCSA-N 2 1 291.370 3.080 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000355315920 380639413 /nfs/dbraw/zinc/63/94/13/380639413.db2.gz NSNPHPPCBRKKRT-KBPBESRZSA-N 2 1 268.470 3.389 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417300625 380587335 /nfs/dbraw/zinc/58/73/35/380587335.db2.gz AQCUYIABVJQSTH-CAEXGNQWSA-N 2 1 278.465 3.312 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417300625 380587337 /nfs/dbraw/zinc/58/73/37/380587337.db2.gz AQCUYIABVJQSTH-CAEXGNQWSA-N 2 1 278.465 3.312 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC000645188240 380609313 /nfs/dbraw/zinc/60/93/13/380609313.db2.gz VIDUJMBATLIBMN-QZTJIDSGSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCc4ccccc43)C2)C1 ZINC000645188240 380609322 /nfs/dbraw/zinc/60/93/22/380609322.db2.gz VIDUJMBATLIBMN-QZTJIDSGSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCc4ccccc43)C2)C1 ZINC000645188240 380609331 /nfs/dbraw/zinc/60/93/31/380609331.db2.gz VIDUJMBATLIBMN-QZTJIDSGSA-N 2 1 270.420 3.092 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000418086505 380699247 /nfs/dbraw/zinc/69/92/47/380699247.db2.gz CSHVUQMVACMHGQ-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000645830187 380745261 /nfs/dbraw/zinc/74/52/61/380745261.db2.gz GSKHHBRXDADVQH-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000645830187 380745265 /nfs/dbraw/zinc/74/52/65/380745265.db2.gz GSKHHBRXDADVQH-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000645830187 380745270 /nfs/dbraw/zinc/74/52/70/380745270.db2.gz GSKHHBRXDADVQH-GUYCJALGSA-N 2 1 296.405 3.169 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccccc2C)CC1 ZINC000645980465 380791122 /nfs/dbraw/zinc/79/11/22/380791122.db2.gz JZRVHJRTUDKWSQ-UHFFFAOYSA-N 2 1 269.392 3.169 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420288493 380845244 /nfs/dbraw/zinc/84/52/44/380845244.db2.gz IYBORDFEYURFCZ-DXCKQFNASA-N 2 1 276.399 3.262 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CCCOC1 ZINC000356879435 380916508 /nfs/dbraw/zinc/91/65/08/380916508.db2.gz TVOTWHYWQSDQET-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CN(c2cc[nH+]cc2C)CC[N@H+]1Cc1ccccc1 ZINC000359584223 381355493 /nfs/dbraw/zinc/35/54/93/381355493.db2.gz RDTGOVXBDCEADT-GOSISDBHSA-N 2 1 295.430 3.491 20 0 CGADMP CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211937674 542284508 /nfs/dbraw/zinc/28/45/08/542284508.db2.gz ILQOMZZBJNKDDN-KRWDZBQOSA-N 2 1 258.409 3.097 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)[NH+]1CCCC1 ZINC000360998318 381642896 /nfs/dbraw/zinc/64/28/96/381642896.db2.gz PEQSOJZMRSGUJI-OAGGEKHMSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361591453 381822554 /nfs/dbraw/zinc/82/25/54/381822554.db2.gz NMFHETJXFLMROT-OLZOCXBDSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361591453 381822561 /nfs/dbraw/zinc/82/25/61/381822561.db2.gz NMFHETJXFLMROT-OLZOCXBDSA-N 2 1 289.345 3.244 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000361767441 381868230 /nfs/dbraw/zinc/86/82/30/381868230.db2.gz BPKCISCKFFPKOS-FRRDWIJNSA-N 2 1 293.480 3.155 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000361767441 381868240 /nfs/dbraw/zinc/86/82/40/381868240.db2.gz BPKCISCKFFPKOS-FRRDWIJNSA-N 2 1 293.480 3.155 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364187540 382264345 /nfs/dbraw/zinc/26/43/45/382264345.db2.gz BQDHHQLAHMOTEY-RWMBFGLXSA-N 2 1 280.437 3.034 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364187540 382264350 /nfs/dbraw/zinc/26/43/50/382264350.db2.gz BQDHHQLAHMOTEY-RWMBFGLXSA-N 2 1 280.437 3.034 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364318186 382268731 /nfs/dbraw/zinc/26/87/31/382268731.db2.gz ZBFBZENPIBSRSZ-MWDXBVQZSA-N 2 1 262.441 3.195 20 0 CGADMP C[N@@H+](CCCCF)[C@@H]1CCC[NH+](CCCCF)CC1 ZINC000367225114 382339402 /nfs/dbraw/zinc/33/94/02/382339402.db2.gz RHIACEZDKKPJHK-OAHLLOKOSA-N 2 1 276.415 3.272 20 0 CGADMP C[NH+](CCCCF)[C@@H]1CCC[N@H+](CCCCF)CC1 ZINC000367225114 382339409 /nfs/dbraw/zinc/33/94/09/382339409.db2.gz RHIACEZDKKPJHK-OAHLLOKOSA-N 2 1 276.415 3.272 20 0 CGADMP C[NH+](CCCCF)[C@@H]1CCC[N@@H+](CCCCF)CC1 ZINC000367225114 382339412 /nfs/dbraw/zinc/33/94/12/382339412.db2.gz RHIACEZDKKPJHK-OAHLLOKOSA-N 2 1 276.415 3.272 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000245690098 542323069 /nfs/dbraw/zinc/32/30/69/542323069.db2.gz PANVXRJRUAQZSL-UYTYNIKBSA-N 2 1 276.468 3.229 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000249374729 542339617 /nfs/dbraw/zinc/33/96/17/542339617.db2.gz HUOZIXJNPNZSRC-DOMZBBRYSA-N 2 1 294.439 3.294 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2ccc(C)c(C)c2)CC[C@H]1[NH3+] ZINC000251890769 542348709 /nfs/dbraw/zinc/34/87/09/542348709.db2.gz VZGGZQGDTDQBRT-FUHWJXTLSA-N 2 1 290.451 3.132 20 0 CGADMP Clc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250114233 542341983 /nfs/dbraw/zinc/34/19/83/542341983.db2.gz LOGQEDAIWOLBDE-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250114233 542341986 /nfs/dbraw/zinc/34/19/86/542341986.db2.gz LOGQEDAIWOLBDE-GDBMZVCRSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000252456023 542350371 /nfs/dbraw/zinc/35/03/71/542350371.db2.gz CYBVPJCNUUNSSJ-BPQIPLTHSA-N 2 1 272.436 3.254 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@H]1[NH3+] ZINC000252704467 542351183 /nfs/dbraw/zinc/35/11/83/542351183.db2.gz NFYUXBHJXCMZCA-GXTWGEPZSA-N 2 1 268.351 3.183 20 0 CGADMP COc1ccccc1[C@@H]([NH2+]CC1([NH3+])CCC1)C1CCCC1 ZINC000423334226 532980129 /nfs/dbraw/zinc/98/01/29/532980129.db2.gz SJBJHCVZHRRRJL-KRWDZBQOSA-N 2 1 288.435 3.398 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000268844131 542362918 /nfs/dbraw/zinc/36/29/18/542362918.db2.gz VBTYHSLPQSJLGV-UHFFFAOYSA-N 2 1 274.452 3.210 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423271353 533060033 /nfs/dbraw/zinc/06/00/33/533060033.db2.gz IZHPMWNPUHTGGE-WCQYABFASA-N 2 1 252.427 3.042 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2)C[C@H]1C ZINC000353748818 220302524 /nfs/dbraw/zinc/30/25/24/220302524.db2.gz JIOCNIOVOQBTJW-WBVHZDCISA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C[C@H]1C ZINC000353748818 220302525 /nfs/dbraw/zinc/30/25/25/220302525.db2.gz JIOCNIOVOQBTJW-WBVHZDCISA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C[C@H]1C ZINC000353748818 220302527 /nfs/dbraw/zinc/30/25/27/220302527.db2.gz JIOCNIOVOQBTJW-WBVHZDCISA-N 2 1 260.425 3.300 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000353750649 220304434 /nfs/dbraw/zinc/30/44/34/220304434.db2.gz YHGBNFFQHWXBNY-XJKSGUPXSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000353750649 220304437 /nfs/dbraw/zinc/30/44/37/220304437.db2.gz YHGBNFFQHWXBNY-XJKSGUPXSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000353750649 220304440 /nfs/dbraw/zinc/30/44/40/220304440.db2.gz YHGBNFFQHWXBNY-XJKSGUPXSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000353750649 220304442 /nfs/dbraw/zinc/30/44/42/220304442.db2.gz YHGBNFFQHWXBNY-XJKSGUPXSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(C)c2)C[C@H]1C ZINC000353751299 220307208 /nfs/dbraw/zinc/30/72/08/220307208.db2.gz XUWFNERSSKJIJI-ZBFHGGJFSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(C)c2)C[C@H]1C ZINC000353751299 220307211 /nfs/dbraw/zinc/30/72/11/220307211.db2.gz XUWFNERSSKJIJI-ZBFHGGJFSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(C)c2)C[C@H]1C ZINC000353751299 220307213 /nfs/dbraw/zinc/30/72/13/220307213.db2.gz XUWFNERSSKJIJI-ZBFHGGJFSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C)c2)C[C@H]1C ZINC000353751299 220307215 /nfs/dbraw/zinc/30/72/15/220307215.db2.gz XUWFNERSSKJIJI-ZBFHGGJFSA-N 2 1 278.415 3.439 20 0 CGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000350510712 219032028 /nfs/dbraw/zinc/03/20/28/219032028.db2.gz IOFYWDSWYFXVAQ-MSOLQXFVSA-N 2 1 272.436 3.069 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000337378021 285145787 /nfs/dbraw/zinc/14/57/87/285145787.db2.gz BSHMYFYGRYKYQI-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414170406 533168192 /nfs/dbraw/zinc/16/81/92/533168192.db2.gz BVVQUCXBTJMBFG-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000414189100 533168208 /nfs/dbraw/zinc/16/82/08/533168208.db2.gz RAGHRNAACSLJIT-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP CC(C)C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000307814034 542423034 /nfs/dbraw/zinc/42/30/34/542423034.db2.gz PJBQELOLSBMGSF-MRXNPFEDSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)CC[NH2+]1 ZINC000414763502 297399958 /nfs/dbraw/zinc/39/99/58/297399958.db2.gz XOBQLHDYFVOLHL-YVECIDJPSA-N 2 1 278.362 3.037 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC000541547702 288706425 /nfs/dbraw/zinc/70/64/25/288706425.db2.gz QLIFVYZLRWUHEZ-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000348278083 542518165 /nfs/dbraw/zinc/51/81/65/542518165.db2.gz SXAFPFYSQJGINT-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348278083 542518170 /nfs/dbraw/zinc/51/81/70/542518170.db2.gz SXAFPFYSQJGINT-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000348278083 542518176 /nfs/dbraw/zinc/51/81/76/542518176.db2.gz SXAFPFYSQJGINT-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)oc1C ZINC000282162854 195525705 /nfs/dbraw/zinc/52/57/05/195525705.db2.gz LUQVLMHFIBGKRZ-YPMHNXCESA-N 2 1 275.396 3.388 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000282189674 195532385 /nfs/dbraw/zinc/53/23/85/195532385.db2.gz NGAGKYWTWZLNPL-RTBURBONSA-N 2 1 298.474 3.473 20 0 CGADMP CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000358039293 533355696 /nfs/dbraw/zinc/35/56/96/533355696.db2.gz ACUKXXRVXXYGNG-GJZGRUSLSA-N 2 1 278.440 3.040 20 0 CGADMP COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422946302 533364767 /nfs/dbraw/zinc/36/47/67/533364767.db2.gz OTRXBFYRXTYNKI-ZDUSSCGKSA-N 2 1 299.418 3.131 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000414075576 533378076 /nfs/dbraw/zinc/37/80/76/533378076.db2.gz PDAAYTRQYAUKCK-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP COc1c(C)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000365470672 533397470 /nfs/dbraw/zinc/39/74/70/533397470.db2.gz XFIVZLVYDNMENB-KRWDZBQOSA-N 2 1 290.451 3.228 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000365470672 533397477 /nfs/dbraw/zinc/39/74/77/533397477.db2.gz XFIVZLVYDNMENB-KRWDZBQOSA-N 2 1 290.451 3.228 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)s1 ZINC000423375542 533525221 /nfs/dbraw/zinc/52/52/21/533525221.db2.gz KSAOLBMWTKJIEY-OPRDCNLKSA-N 2 1 258.818 3.193 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000423360973 533499057 /nfs/dbraw/zinc/49/90/57/533499057.db2.gz GIMIZVLHGQQGKW-UONOGXRCSA-N 2 1 270.376 3.477 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)[C@H](C)[NH3+] ZINC000423449747 533504824 /nfs/dbraw/zinc/50/48/24/533504824.db2.gz RZMWUYROFZVTCG-MJBXVCDLSA-N 2 1 269.392 3.135 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423509999 533511433 /nfs/dbraw/zinc/51/14/33/533511433.db2.gz RUXIXEVKSLMAPE-QCSYZSNVSA-N 2 1 272.436 3.286 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CCCC[C@H]1C ZINC000423495863 533511680 /nfs/dbraw/zinc/51/16/80/533511680.db2.gz CZBMPYMLQOJEJV-VDERGJSUSA-N 2 1 252.446 3.308 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1Cl ZINC000086595843 533555308 /nfs/dbraw/zinc/55/53/08/533555308.db2.gz HITNFLUONGYMOJ-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1Cl ZINC000086595843 533555314 /nfs/dbraw/zinc/55/53/14/533555314.db2.gz HITNFLUONGYMOJ-ZDUSSCGKSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423387990 533567953 /nfs/dbraw/zinc/56/79/53/533567953.db2.gz MKENIXFKBNFTRW-DOTOQJQBSA-N 2 1 289.467 3.161 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378921776 542593547 /nfs/dbraw/zinc/59/35/47/542593547.db2.gz PUKUUNSTTNPQEE-AKHDSKFASA-N 2 1 284.447 3.287 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(C)s1 ZINC000191474523 130241245 /nfs/dbraw/zinc/24/12/45/130241245.db2.gz BODMKMPNICXBRJ-UHFFFAOYSA-N 2 1 292.452 3.123 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(C)s1 ZINC000191474523 130241247 /nfs/dbraw/zinc/24/12/47/130241247.db2.gz BODMKMPNICXBRJ-UHFFFAOYSA-N 2 1 292.452 3.123 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000191477182 130241646 /nfs/dbraw/zinc/24/16/46/130241646.db2.gz KDEAHDRUICSKJQ-HNNXBMFYSA-N 2 1 286.423 3.314 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000191477182 130241653 /nfs/dbraw/zinc/24/16/53/130241653.db2.gz KDEAHDRUICSKJQ-HNNXBMFYSA-N 2 1 286.423 3.314 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000191658423 130273080 /nfs/dbraw/zinc/27/30/80/130273080.db2.gz QUIOYBPVGNOUJO-MELADBBJSA-N 2 1 287.407 3.255 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000054077361 392088162 /nfs/dbraw/zinc/08/81/62/392088162.db2.gz MCDPXEGVROTIMG-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000069381252 392172957 /nfs/dbraw/zinc/17/29/57/392172957.db2.gz MCHPPSGTTHRZLH-DGCLKSJQSA-N 2 1 290.373 3.324 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCC(C)(C)CC1 ZINC000094859640 392243153 /nfs/dbraw/zinc/24/31/53/392243153.db2.gz XBYPEULETPTIEH-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@H](C)[C@H]1C)[NH+]1CC[C@H](C)[C@H]1C ZINC000431599958 542653022 /nfs/dbraw/zinc/65/30/22/542653022.db2.gz LCMHCHNAJFFOOW-LYYZXLFJSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000431599958 542653023 /nfs/dbraw/zinc/65/30/23/542653023.db2.gz LCMHCHNAJFFOOW-LYYZXLFJSA-N 2 1 252.446 3.226 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@H](C)[C@H]1C)[N@H+]1CC[C@H](C)[C@H]1C ZINC000431599958 542653024 /nfs/dbraw/zinc/65/30/24/542653024.db2.gz LCMHCHNAJFFOOW-LYYZXLFJSA-N 2 1 252.446 3.226 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000249379577 131120970 /nfs/dbraw/zinc/12/09/70/131120970.db2.gz PLHBWNIMAACWLS-GHMZBOCLSA-N 2 1 272.845 3.394 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672826 131136384 /nfs/dbraw/zinc/13/63/84/131136384.db2.gz DBUDPVCRGUVLNP-SJORKVTESA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672826 131136385 /nfs/dbraw/zinc/13/63/85/131136385.db2.gz DBUDPVCRGUVLNP-SJORKVTESA-N 2 1 288.435 3.190 20 0 CGADMP Clc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674944 131136695 /nfs/dbraw/zinc/13/66/95/131136695.db2.gz WCMXYBVCBCMJDQ-CABCVRRESA-N 2 1 264.800 3.056 20 0 CGADMP Clc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674944 131136698 /nfs/dbraw/zinc/13/66/98/131136698.db2.gz WCMXYBVCBCMJDQ-CABCVRRESA-N 2 1 264.800 3.056 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113655619 392382702 /nfs/dbraw/zinc/38/27/02/392382702.db2.gz NYBXWLDGYHALNW-AAEUAGOBSA-N 2 1 286.341 3.265 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000289326901 392420965 /nfs/dbraw/zinc/42/09/65/392420965.db2.gz UISQOLPEXVWEFS-RDJZCZTQSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000289326901 392420971 /nfs/dbraw/zinc/42/09/71/392420971.db2.gz UISQOLPEXVWEFS-RDJZCZTQSA-N 2 1 289.467 3.033 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1n1ccnc1 ZINC000152004141 392491454 /nfs/dbraw/zinc/49/14/54/392491454.db2.gz OAKKJEHPMXCIIT-YJBOKZPZSA-N 2 1 298.434 3.032 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCF)CC1 ZINC000151996395 392491803 /nfs/dbraw/zinc/49/18/03/392491803.db2.gz XBLRFPLXCXYYKV-HNNXBMFYSA-N 2 1 270.436 3.323 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC000161794565 392586732 /nfs/dbraw/zinc/58/67/32/392586732.db2.gz QJIVBYJBORZJFW-INIZCTEOSA-N 2 1 292.471 3.237 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000163289267 392604290 /nfs/dbraw/zinc/60/42/90/392604290.db2.gz BDGFDKBCHMJKFA-FRRDWIJNSA-N 2 1 278.362 3.324 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000163289267 392604295 /nfs/dbraw/zinc/60/42/95/392604295.db2.gz BDGFDKBCHMJKFA-FRRDWIJNSA-N 2 1 278.362 3.324 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000479957544 542705779 /nfs/dbraw/zinc/70/57/79/542705779.db2.gz NBELMZVBPYZYFL-IYBDPMFKSA-N 2 1 298.455 3.375 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000647283782 392634989 /nfs/dbraw/zinc/63/49/89/392634989.db2.gz MVDNYZGTKBKHRE-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000647316227 392661308 /nfs/dbraw/zinc/66/13/08/392661308.db2.gz VVAVLWDSXCMCDE-CABCVRRESA-N 2 1 258.409 3.056 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000647316227 392661315 /nfs/dbraw/zinc/66/13/15/392661315.db2.gz VVAVLWDSXCMCDE-CABCVRRESA-N 2 1 258.409 3.056 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000507498106 392734916 /nfs/dbraw/zinc/73/49/16/392734916.db2.gz UEFSVDANLKVJEL-QZTJIDSGSA-N 2 1 297.531 3.064 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479359 392734957 /nfs/dbraw/zinc/73/49/57/392734957.db2.gz DITLJAFGLPEFLG-SJLPKXTDSA-N 2 1 286.463 3.428 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479311 392735233 /nfs/dbraw/zinc/73/52/33/392735233.db2.gz BXJBYRTYZAOTJK-HKUYNNGSSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534744 392755923 /nfs/dbraw/zinc/75/59/23/392755923.db2.gz VEOHDRBJVJNGRV-WNHJNPCNSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534744 392755930 /nfs/dbraw/zinc/75/59/30/392755930.db2.gz VEOHDRBJVJNGRV-WNHJNPCNSA-N 2 1 284.447 3.181 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1F ZINC000647543120 392760998 /nfs/dbraw/zinc/76/09/98/392760998.db2.gz HVDKZKPNMVWGJF-SJORKVTESA-N 2 1 290.426 3.346 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2C2CCC2)CC[NH2+]1 ZINC000647553185 392765373 /nfs/dbraw/zinc/76/53/73/392765373.db2.gz GTLBWJZHQSSFLV-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647552673 392765506 /nfs/dbraw/zinc/76/55/06/392765506.db2.gz QJJBGHCDXGCFPC-OWCLPIDISA-N 2 1 264.457 3.134 20 0 CGADMP CC[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1F ZINC000180737295 392713601 /nfs/dbraw/zinc/71/36/01/392713601.db2.gz DUTSVPRKNANJIO-AHIWAGSCSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000180737295 392713610 /nfs/dbraw/zinc/71/36/10/392713610.db2.gz DUTSVPRKNANJIO-AHIWAGSCSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000647936952 392837984 /nfs/dbraw/zinc/83/79/84/392837984.db2.gz NZNGBHMWLOXYLF-VQIMIIECSA-N 2 1 282.431 3.442 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000186115723 392778130 /nfs/dbraw/zinc/77/81/30/392778130.db2.gz WBTOMKCKPCHCLO-OLZOCXBDSA-N 2 1 282.453 3.139 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000189366726 392806016 /nfs/dbraw/zinc/80/60/16/392806016.db2.gz JNVFZDHFHGCKOU-QGZVFWFLSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000375808066 392822817 /nfs/dbraw/zinc/82/28/17/392822817.db2.gz RNWLKSYERBFFNL-RRFJBIMHSA-N 2 1 293.842 3.006 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647904133 392828576 /nfs/dbraw/zinc/82/85/76/392828576.db2.gz XKYJDTZFFDLKBA-MSOLQXFVSA-N 2 1 272.436 3.002 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@H]21 ZINC000647907790 392830739 /nfs/dbraw/zinc/83/07/39/392830739.db2.gz VASHMXCKCOPZHU-XUVXKRRUSA-N 2 1 294.442 3.442 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000648068339 392900342 /nfs/dbraw/zinc/90/03/42/392900342.db2.gz SHFURNDMOBDXBZ-QYZOEREBSA-N 2 1 284.447 3.420 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC2CCC1CC2 ZINC000381883766 392914884 /nfs/dbraw/zinc/91/48/84/392914884.db2.gz KPJIYUBLSLIUFG-PYOSLDJPSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC2CCC1CC2 ZINC000381883766 392914889 /nfs/dbraw/zinc/91/48/89/392914889.db2.gz KPJIYUBLSLIUFG-PYOSLDJPSA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000647967705 392849332 /nfs/dbraw/zinc/84/93/32/392849332.db2.gz WTQFINAJXYWUND-DLBZAZTESA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000647967705 392849337 /nfs/dbraw/zinc/84/93/37/392849337.db2.gz WTQFINAJXYWUND-DLBZAZTESA-N 2 1 292.467 3.065 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C12CCCC2 ZINC000519619202 392875029 /nfs/dbraw/zinc/87/50/29/392875029.db2.gz XZMOOAGGWHQPOR-OAGGEKHMSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000519619202 392875036 /nfs/dbraw/zinc/87/50/36/392875036.db2.gz XZMOOAGGWHQPOR-OAGGEKHMSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000459746914 392953637 /nfs/dbraw/zinc/95/36/37/392953637.db2.gz ZHBXGYGKKIAUSB-OIISXLGYSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC000459796022 392955119 /nfs/dbraw/zinc/95/51/19/392955119.db2.gz VXUXUHFOMKBCCW-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459793862 392955216 /nfs/dbraw/zinc/95/52/16/392955216.db2.gz UAXPOORRLIRIQF-ULQDDVLXSA-N 2 1 264.457 3.300 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000339409419 392954391 /nfs/dbraw/zinc/95/43/91/392954391.db2.gz MFDBWHBIEZVGAN-WBVHZDCISA-N 2 1 275.440 3.072 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000340304415 392970357 /nfs/dbraw/zinc/97/03/57/392970357.db2.gz VCXVLUXSEZNOQW-JKSUJKDBSA-N 2 1 258.409 3.212 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000340304415 392970363 /nfs/dbraw/zinc/97/03/63/392970363.db2.gz VCXVLUXSEZNOQW-JKSUJKDBSA-N 2 1 258.409 3.212 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648448184 393021974 /nfs/dbraw/zinc/02/19/74/393021974.db2.gz AJOGNJAEDWMITJ-BBWFWOEESA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648448184 393021978 /nfs/dbraw/zinc/02/19/78/393021978.db2.gz AJOGNJAEDWMITJ-BBWFWOEESA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CCO1 ZINC000648448142 393022245 /nfs/dbraw/zinc/02/22/45/393022245.db2.gz FFBNAVBJTHECDL-ROUUACIJSA-N 2 1 290.451 3.186 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414991140 393082867 /nfs/dbraw/zinc/08/28/67/393082867.db2.gz AKDDSOMRMODPGX-OLZOCXBDSA-N 2 1 262.388 3.036 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000415003345 393087466 /nfs/dbraw/zinc/08/74/66/393087466.db2.gz FVMJXYQKSGIDSS-NEPJUHHUSA-N 2 1 260.406 3.240 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000415006619 393091342 /nfs/dbraw/zinc/09/13/42/393091342.db2.gz KSHCLGWFJVOAPZ-MNOVXSKESA-N 2 1 278.396 3.380 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000547279468 393101324 /nfs/dbraw/zinc/10/13/24/393101324.db2.gz QUMROTKOGRLIDZ-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1F ZINC000415032866 393104939 /nfs/dbraw/zinc/10/49/39/393104939.db2.gz BDAGTJYSANHHLS-DOTOQJQBSA-N 2 1 276.399 3.098 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414169850 393041223 /nfs/dbraw/zinc/04/12/23/393041223.db2.gz BPHVCNIMAAKGCG-JZXOWHBKSA-N 2 1 290.451 3.084 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC12CCOCC2 ZINC000414785554 393054561 /nfs/dbraw/zinc/05/45/61/393054561.db2.gz SUZFZUMLEJPQKA-QGZVFWFLSA-N 2 1 294.483 3.034 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(OC(F)F)cc1C ZINC000414949924 393057779 /nfs/dbraw/zinc/05/77/79/393057779.db2.gz OAXANQDLYJUUCV-OCCSQVGLSA-N 2 1 298.377 3.135 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414952733 393060949 /nfs/dbraw/zinc/06/09/49/393060949.db2.gz IVBYJVYHTMBTDP-RNCFNFMXSA-N 2 1 273.207 3.081 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[NH2+]1 ZINC000414961836 393066489 /nfs/dbraw/zinc/06/64/89/393066489.db2.gz ZFBVLCTZLVDJGJ-STQMWFEESA-N 2 1 288.366 3.316 20 0 CGADMP CC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414966925 393071708 /nfs/dbraw/zinc/07/17/08/393071708.db2.gz WVYDQXCKJHMKBP-DETPVDSQSA-N 2 1 282.378 3.046 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000414980508 393077717 /nfs/dbraw/zinc/07/77/17/393077717.db2.gz PNKAXEBNIQYVRN-QGZVFWFLSA-N 2 1 284.403 3.093 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415049808 393113360 /nfs/dbraw/zinc/11/33/60/393113360.db2.gz BIRPDEHRKLRBAK-ZDUSSCGKSA-N 2 1 254.805 3.111 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000415058287 393119617 /nfs/dbraw/zinc/11/96/17/393119617.db2.gz VGONDUKNBYBAAK-GFCCVEGCSA-N 2 1 256.340 3.087 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058782 393120152 /nfs/dbraw/zinc/12/01/52/393120152.db2.gz WFBPYDWQIFFUIT-MUURBNQUSA-N 2 1 288.410 3.303 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415062705 393121705 /nfs/dbraw/zinc/12/17/05/393121705.db2.gz FUIPGHREUXPPHM-SUMWQHHRSA-N 2 1 278.415 3.254 20 0 CGADMP C[C@@H](CCc1ccccc1F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063944 393123822 /nfs/dbraw/zinc/12/38/22/393123822.db2.gz JHJWGYODHINQOM-GUYCJALGSA-N 2 1 278.415 3.254 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071162 393128678 /nfs/dbraw/zinc/12/86/78/393128678.db2.gz VZPTVRROEPDVGH-SJORKVTESA-N 2 1 260.425 3.115 20 0 CGADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083341 393136040 /nfs/dbraw/zinc/13/60/40/393136040.db2.gz PTPDGVCQQGTYQA-XMTFNYHQSA-N 2 1 288.435 3.027 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000415115310 393148872 /nfs/dbraw/zinc/14/88/72/393148872.db2.gz DNCREPKTUANTIX-SMDDNHRTSA-N 2 1 254.805 3.364 20 0 CGADMP c1ccc(C[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415123730 393150526 /nfs/dbraw/zinc/15/05/26/393150526.db2.gz QGDJGLNXWVDLLG-WOJBJXKFSA-N 2 1 294.442 3.355 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468550774 393151332 /nfs/dbraw/zinc/15/13/32/393151332.db2.gz AXQCTCNOTLPZFV-KEYYUXOJSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468550774 393151338 /nfs/dbraw/zinc/15/13/38/393151338.db2.gz AXQCTCNOTLPZFV-KEYYUXOJSA-N 2 1 278.415 3.219 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000415128896 393154013 /nfs/dbraw/zinc/15/40/13/393154013.db2.gz OPTDYKBMQPFFRF-SJORKVTESA-N 2 1 290.451 3.152 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1F ZINC000268762454 393202455 /nfs/dbraw/zinc/20/24/55/393202455.db2.gz OSZOGEAAVDPKDI-ZDUSSCGKSA-N 2 1 276.399 3.412 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccn1 ZINC000268750891 393202650 /nfs/dbraw/zinc/20/26/50/393202650.db2.gz HJWXIGHPIBTOHI-QGZVFWFLSA-N 2 1 277.456 3.489 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccn1 ZINC000268750891 393202656 /nfs/dbraw/zinc/20/26/56/393202656.db2.gz HJWXIGHPIBTOHI-QGZVFWFLSA-N 2 1 277.456 3.489 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC23CCCC3)s1 ZINC000352698644 393206132 /nfs/dbraw/zinc/20/61/32/393206132.db2.gz VIPSEGRFPSNBMB-CYBMUJFWSA-N 2 1 279.453 3.017 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000469729054 393210246 /nfs/dbraw/zinc/21/02/46/393210246.db2.gz NWTVHJCSOGILNX-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000469729054 393210251 /nfs/dbraw/zinc/21/02/51/393210251.db2.gz NWTVHJCSOGILNX-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000469729054 393210260 /nfs/dbraw/zinc/21/02/60/393210260.db2.gz NWTVHJCSOGILNX-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278896551 393327574 /nfs/dbraw/zinc/32/75/74/393327574.db2.gz FHOUIQVVYGVKAR-MAUKXSAKSA-N 2 1 295.430 3.421 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000355215390 393262816 /nfs/dbraw/zinc/26/28/16/393262816.db2.gz CMOSIRFOGVVQDX-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000355215390 393262820 /nfs/dbraw/zinc/26/28/20/393262820.db2.gz CMOSIRFOGVVQDX-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000355215390 393262823 /nfs/dbraw/zinc/26/28/23/393262823.db2.gz CMOSIRFOGVVQDX-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999566 393271421 /nfs/dbraw/zinc/27/14/21/393271421.db2.gz BSUHABANXXGTAN-RYQLBKOJSA-N 2 1 272.436 3.096 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999566 393271424 /nfs/dbraw/zinc/27/14/24/393271424.db2.gz BSUHABANXXGTAN-RYQLBKOJSA-N 2 1 272.436 3.096 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999566 393271432 /nfs/dbraw/zinc/27/14/32/393271432.db2.gz BSUHABANXXGTAN-RYQLBKOJSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000475197872 393381679 /nfs/dbraw/zinc/38/16/79/393381679.db2.gz ZCQDUWJUJVHKJJ-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000475197872 393381682 /nfs/dbraw/zinc/38/16/82/393381682.db2.gz ZCQDUWJUJVHKJJ-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccccc1C ZINC000475352333 393396497 /nfs/dbraw/zinc/39/64/97/393396497.db2.gz NKAHDMJQDDHOOH-HZPDHXFCSA-N 2 1 262.441 3.246 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000474879064 393354256 /nfs/dbraw/zinc/35/42/56/393354256.db2.gz LYTYWFJWEUKRAP-BZSNNMDCSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000417878185 393356746 /nfs/dbraw/zinc/35/67/46/393356746.db2.gz DPLDUWVNMDLSOZ-KRWDZBQOSA-N 2 1 290.451 3.184 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420381889 393479793 /nfs/dbraw/zinc/47/97/93/393479793.db2.gz CVKMWDLVKFVSSR-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000477859252 393431214 /nfs/dbraw/zinc/43/12/14/393431214.db2.gz KNZHLRNYLODQED-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698354 393433345 /nfs/dbraw/zinc/43/33/45/393433345.db2.gz CZGVVMMRXUTCLT-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H](C)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000481032875 393436695 /nfs/dbraw/zinc/43/66/95/393436695.db2.gz IWQUTXUDNBLIPF-ZACQAIPSSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000483721312 393443709 /nfs/dbraw/zinc/44/37/09/393443709.db2.gz GYZOAIARJTTXPV-KWRZAIAESA-N 2 1 264.457 3.274 20 0 CGADMP Cc1ccc(C(C)(C)C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420296798 393453156 /nfs/dbraw/zinc/45/31/56/393453156.db2.gz DXLNOSRONXNNGK-MRXNPFEDSA-N 2 1 274.452 3.204 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420298871 393453570 /nfs/dbraw/zinc/45/35/70/393453570.db2.gz IDRDOPYBBNYGGZ-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)s1 ZINC000420308992 393458932 /nfs/dbraw/zinc/45/89/32/393458932.db2.gz SSOUUGURHNGRPT-KGLIPLIRSA-N 2 1 264.438 3.193 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420308008 393459394 /nfs/dbraw/zinc/45/93/94/393459394.db2.gz RUVPVQBGCPLKLN-JKIFEVAISA-N 2 1 276.399 3.208 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1C ZINC000420310858 393459580 /nfs/dbraw/zinc/45/95/80/393459580.db2.gz VGOZJHCKPYYDAJ-MRXNPFEDSA-N 2 1 290.451 3.134 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000420312383 393460536 /nfs/dbraw/zinc/46/05/36/393460536.db2.gz WVPCMNCQMKQGTE-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420316648 393463317 /nfs/dbraw/zinc/46/33/17/393463317.db2.gz MWLKAKMXESLBJH-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(Cl)cc(Cl)c1 ZINC000420321122 393465484 /nfs/dbraw/zinc/46/54/84/393465484.db2.gz QTXXBCIAAKJERP-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP CCc1ccccc1C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420320847 393466760 /nfs/dbraw/zinc/46/67/60/393466760.db2.gz ZHSJUKZQIUDSKP-QGZVFWFLSA-N 2 1 260.425 3.213 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420323774 393467902 /nfs/dbraw/zinc/46/79/02/393467902.db2.gz UIQNJVDETCIARR-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000356510529 393468324 /nfs/dbraw/zinc/46/83/24/393468324.db2.gz WGWYMYCFVVXNRE-MRXNPFEDSA-N 2 1 277.456 3.033 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000356510529 393468332 /nfs/dbraw/zinc/46/83/32/393468332.db2.gz WGWYMYCFVVXNRE-MRXNPFEDSA-N 2 1 277.456 3.033 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC000429514833 393472063 /nfs/dbraw/zinc/47/20/63/393472063.db2.gz MOJUHFPKBILPSP-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H]2CCCC[C@H]2C)cc1 ZINC000420352375 393473192 /nfs/dbraw/zinc/47/31/92/393473192.db2.gz AIZZUTPZQUNOQY-KYJSFNMBSA-N 2 1 290.451 3.248 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420365254 393474323 /nfs/dbraw/zinc/47/43/23/393474323.db2.gz IWAGHCANUOJMEO-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420365254 393474326 /nfs/dbraw/zinc/47/43/26/393474326.db2.gz IWAGHCANUOJMEO-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCOc1ccc(F)cc1)C1CCCCC1 ZINC000420370721 393476730 /nfs/dbraw/zinc/47/67/30/393476730.db2.gz YZPNYKDGULRWOG-KRWDZBQOSA-N 2 1 294.414 3.092 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1cccc2ccccc21 ZINC000420372565 393477104 /nfs/dbraw/zinc/47/71/04/393477104.db2.gz YGRABCJZMILGKM-KRWDZBQOSA-N 2 1 286.419 3.182 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)c(Cl)c1 ZINC000420371111 393477128 /nfs/dbraw/zinc/47/71/28/393477128.db2.gz ZMYJUQAMKZTZBR-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H]1CCC[NH+](C)C1 ZINC000488333312 393490096 /nfs/dbraw/zinc/49/00/96/393490096.db2.gz UQBIUHBKOJNRBG-CYBMUJFWSA-N 2 1 289.398 3.081 20 0 CGADMP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H]1CCC[NH+](C)C1 ZINC000488333312 393490101 /nfs/dbraw/zinc/49/01/01/393490101.db2.gz UQBIUHBKOJNRBG-CYBMUJFWSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H]1CCC[N@H+](C)C1 ZINC000488333312 393490107 /nfs/dbraw/zinc/49/01/07/393490107.db2.gz UQBIUHBKOJNRBG-CYBMUJFWSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000488333312 393490111 /nfs/dbraw/zinc/49/01/11/393490111.db2.gz UQBIUHBKOJNRBG-CYBMUJFWSA-N 2 1 289.398 3.081 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000488409020 393502340 /nfs/dbraw/zinc/50/23/40/393502340.db2.gz QXPUTNAPFHDESX-FXQLRMTLSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000488409020 393502347 /nfs/dbraw/zinc/50/23/47/393502347.db2.gz QXPUTNAPFHDESX-FXQLRMTLSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488409170 393502478 /nfs/dbraw/zinc/50/24/78/393502478.db2.gz ISSZCOYVKNCNJT-GJZGRUSLSA-N 2 1 295.496 3.482 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488427136 393508976 /nfs/dbraw/zinc/50/89/76/393508976.db2.gz FNVNPPBNLAIYNL-HLLBOEOZSA-N 2 1 272.436 3.458 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430084456 393518498 /nfs/dbraw/zinc/51/84/98/393518498.db2.gz LCFGCSWXBJLKHT-IBGZPJMESA-N 2 1 286.463 3.482 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC[NH2+]1 ZINC000666654552 542805898 /nfs/dbraw/zinc/80/58/98/542805898.db2.gz RCVHEFAWGJOMMO-XQHKEYJVSA-N 2 1 278.362 3.037 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420996683 393568704 /nfs/dbraw/zinc/56/87/04/393568704.db2.gz QUZOUCPNFQHAJG-AWEZNQCLSA-N 2 1 279.334 3.178 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666769920 542814862 /nfs/dbraw/zinc/81/48/62/542814862.db2.gz HGINPRDZOZMFMG-NVXWUHKLSA-N 2 1 260.425 3.048 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430543397 393572501 /nfs/dbraw/zinc/57/25/01/393572501.db2.gz RHYVCPRIOWFELP-OFQRWUPVSA-N 2 1 299.418 3.462 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430543397 393572509 /nfs/dbraw/zinc/57/25/09/393572509.db2.gz RHYVCPRIOWFELP-OFQRWUPVSA-N 2 1 299.418 3.462 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000361133171 393680453 /nfs/dbraw/zinc/68/04/53/393680453.db2.gz VKQSYPVDCGXBLN-CQSZACIVSA-N 2 1 286.423 3.280 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432418706 393611680 /nfs/dbraw/zinc/61/16/80/393611680.db2.gz UUGGZNBGFBUOTQ-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432418706 393611685 /nfs/dbraw/zinc/61/16/85/393611685.db2.gz UUGGZNBGFBUOTQ-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360965824 393626534 /nfs/dbraw/zinc/62/65/34/393626534.db2.gz ITEGNIVYTPMCFA-UMVBOHGHSA-N 2 1 266.454 3.142 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360965824 393626540 /nfs/dbraw/zinc/62/65/40/393626540.db2.gz ITEGNIVYTPMCFA-UMVBOHGHSA-N 2 1 266.454 3.142 20 0 CGADMP FCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000361005535 393637782 /nfs/dbraw/zinc/63/77/82/393637782.db2.gz WCRSFIGRCAUOJE-UHFFFAOYSA-N 2 1 296.405 3.172 20 0 CGADMP CCCC[C@@H](CC)CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422562940 393640793 /nfs/dbraw/zinc/64/07/93/393640793.db2.gz RCNRNSWOAGNJNS-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422757120 393642800 /nfs/dbraw/zinc/64/28/00/393642800.db2.gz JNBNVSYBTLEIFS-MAUKXSAKSA-N 2 1 268.404 3.043 20 0 CGADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCCC2 ZINC000490603768 393648160 /nfs/dbraw/zinc/64/81/60/393648160.db2.gz SKCYVMDFCNVIJE-RTBURBONSA-N 2 1 284.447 3.282 20 0 CGADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCCC2 ZINC000490603768 393648163 /nfs/dbraw/zinc/64/81/63/393648163.db2.gz SKCYVMDFCNVIJE-RTBURBONSA-N 2 1 284.447 3.282 20 0 CGADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423164779 393653309 /nfs/dbraw/zinc/65/33/09/393653309.db2.gz AFYSCVNNFKDDGD-MANSERQUSA-N 2 1 294.398 3.033 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000423268928 393656956 /nfs/dbraw/zinc/65/69/56/393656956.db2.gz VJBYPVQPCQRWLH-GXTWGEPZSA-N 2 1 264.438 3.187 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423287694 393659014 /nfs/dbraw/zinc/65/90/14/393659014.db2.gz NWGPXYWPIMJYFF-GFCCVEGCSA-N 2 1 273.207 3.308 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423287098 393659453 /nfs/dbraw/zinc/65/94/53/393659453.db2.gz KHAVYHAIWFYTHL-CYBMUJFWSA-N 2 1 297.240 3.153 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000423297035 393660364 /nfs/dbraw/zinc/66/03/64/393660364.db2.gz ILQQCFILEPUUOG-GOEBONIOSA-N 2 1 262.441 3.460 20 0 CGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000361110866 393674960 /nfs/dbraw/zinc/67/49/60/393674960.db2.gz ICNSTWVLDCKWIA-AEFFLSMTSA-N 2 1 292.467 3.330 20 0 CGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000361110866 393674966 /nfs/dbraw/zinc/67/49/66/393674966.db2.gz ICNSTWVLDCKWIA-AEFFLSMTSA-N 2 1 292.467 3.330 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cc2c(c[nH+]1)CCCC2 ZINC000361185621 393696738 /nfs/dbraw/zinc/69/67/38/393696738.db2.gz HKUHCNDIZPLQRL-IOASZLSFSA-N 2 1 273.424 3.101 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cc2c(c[nH+]1)CCCC2 ZINC000361185621 393696741 /nfs/dbraw/zinc/69/67/41/393696741.db2.gz HKUHCNDIZPLQRL-IOASZLSFSA-N 2 1 273.424 3.101 20 0 CGADMP CCc1ccc(CC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000499937220 393812203 /nfs/dbraw/zinc/81/22/03/393812203.db2.gz RVFMANGWAQJQQW-UHFFFAOYSA-N 2 1 274.452 3.209 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(C)n2C)cc1 ZINC000667462547 542870839 /nfs/dbraw/zinc/87/08/39/542870839.db2.gz LUSQHVIZBQSTKY-KRWDZBQOSA-N 2 1 285.391 3.074 20 0 CGADMP CC(C)[NH+]1CCC(N(C)C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450339122 393994698 /nfs/dbraw/zinc/99/46/98/393994698.db2.gz NZOXXKMJHFGPGK-SFHVURJKSA-N 2 1 295.515 3.054 20 0 CGADMP C1=C(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCC1 ZINC000450430930 393996918 /nfs/dbraw/zinc/99/69/18/393996918.db2.gz WMMVNQBTWFNMBP-KRWDZBQOSA-N 2 1 262.441 3.295 20 0 CGADMP CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000453103408 394172993 /nfs/dbraw/zinc/17/29/93/394172993.db2.gz CGMGSIZAIPKNJL-KRWDZBQOSA-N 2 1 297.531 3.064 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3ccncc3s2)CC1 ZINC000667493921 542875914 /nfs/dbraw/zinc/87/59/14/542875914.db2.gz HIZNUDWACYCTIS-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccncc3s2)CC1 ZINC000667493921 542875915 /nfs/dbraw/zinc/87/59/15/542875915.db2.gz HIZNUDWACYCTIS-UHFFFAOYSA-N 2 1 289.448 3.212 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)CC[N@@H+]1C ZINC000453233322 394213835 /nfs/dbraw/zinc/21/38/35/394213835.db2.gz KBXAIXSCWMOFRL-XNJGSVPQSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)CC[N@H+]1C ZINC000453233322 394213840 /nfs/dbraw/zinc/21/38/40/394213840.db2.gz KBXAIXSCWMOFRL-XNJGSVPQSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H](C1CC1)C1CCCC1)C1CC1 ZINC000453397378 394232292 /nfs/dbraw/zinc/23/22/92/394232292.db2.gz JHVFQZAVMDVHIY-QGZVFWFLSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1(C)C ZINC000453406968 394236039 /nfs/dbraw/zinc/23/60/39/394236039.db2.gz RQILQVGDDPSPHJ-JKSUJKDBSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cn1 ZINC000453407099 394236565 /nfs/dbraw/zinc/23/65/65/394236565.db2.gz RUDNJZHKYUOGHS-LBPRGKRZSA-N 2 1 281.831 3.260 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453408748 394237450 /nfs/dbraw/zinc/23/74/50/394237450.db2.gz SWXIZNZAAYSZFK-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453590750 394251513 /nfs/dbraw/zinc/25/15/13/394251513.db2.gz BESQLAIAVDIDIU-CJNGLKHVSA-N 2 1 276.424 3.367 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000453590806 394252290 /nfs/dbraw/zinc/25/22/90/394252290.db2.gz BLJWFAVBYCVCEV-UHFFFAOYSA-N 2 1 286.341 3.068 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccccc1OC(F)F)C1CC1 ZINC000453598034 394253519 /nfs/dbraw/zinc/25/35/19/394253519.db2.gz PBEOLUIQILBZPH-UHFFFAOYSA-N 2 1 298.377 3.252 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(COC)cs2)CC1 ZINC000667533904 542885568 /nfs/dbraw/zinc/88/55/68/542885568.db2.gz FMLVFTUJGJGDOE-UHFFFAOYSA-N 2 1 296.480 3.201 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(COC)cs2)CC1 ZINC000667533904 542885570 /nfs/dbraw/zinc/88/55/70/542885570.db2.gz FMLVFTUJGJGDOE-UHFFFAOYSA-N 2 1 296.480 3.201 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000667667874 542911602 /nfs/dbraw/zinc/91/16/02/542911602.db2.gz YFPBALDXWVPTJK-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000667667874 542911603 /nfs/dbraw/zinc/91/16/03/542911603.db2.gz YFPBALDXWVPTJK-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000667667874 542911606 /nfs/dbraw/zinc/91/16/06/542911606.db2.gz YFPBALDXWVPTJK-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000667667874 542911609 /nfs/dbraw/zinc/91/16/09/542911609.db2.gz YFPBALDXWVPTJK-WBVHZDCISA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000667667871 542912250 /nfs/dbraw/zinc/91/22/50/542912250.db2.gz YFPBALDXWVPTJK-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000667667871 542912252 /nfs/dbraw/zinc/91/22/52/542912252.db2.gz YFPBALDXWVPTJK-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000667667871 542912254 /nfs/dbraw/zinc/91/22/54/542912254.db2.gz YFPBALDXWVPTJK-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000667667871 542912255 /nfs/dbraw/zinc/91/22/55/542912255.db2.gz YFPBALDXWVPTJK-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP c1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668178283 542983170 /nfs/dbraw/zinc/98/31/70/542983170.db2.gz RRUGWALCTHNQGJ-KRWDZBQOSA-N 2 1 294.402 3.032 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@@H]3C)[nH]c2c1 ZINC000668172263 542981048 /nfs/dbraw/zinc/98/10/48/542981048.db2.gz ITPDTVYHQVQAGR-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@@H]3C)[nH]c2c1 ZINC000668172263 542981051 /nfs/dbraw/zinc/98/10/51/542981051.db2.gz ITPDTVYHQVQAGR-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)[nH]c2c1 ZINC000668172263 542981053 /nfs/dbraw/zinc/98/10/53/542981053.db2.gz ITPDTVYHQVQAGR-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)[nH]c2c1 ZINC000668172263 542981056 /nfs/dbraw/zinc/98/10/56/542981056.db2.gz ITPDTVYHQVQAGR-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP CC(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668818353 543066316 /nfs/dbraw/zinc/06/63/16/543066316.db2.gz GTFBVBUWFLOUTG-HNNXBMFYSA-N 2 1 252.446 3.134 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000671707031 543179030 /nfs/dbraw/zinc/17/90/30/543179030.db2.gz YKIGCDWLLBUIHD-XOENIQLWSA-N 2 1 292.373 3.194 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)[C@@H](C)C1 ZINC000671715985 543179871 /nfs/dbraw/zinc/17/98/71/543179871.db2.gz YVIAENZFEYLNKP-BBRMVZONSA-N 2 1 272.392 3.253 20 0 CGADMP C[C@H](c1ccncc1)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000671739681 543183719 /nfs/dbraw/zinc/18/37/19/543183719.db2.gz SAMINHUYZLWRJF-OAHLLOKOSA-N 2 1 287.407 3.190 20 0 CGADMP C[C@H](c1ccncc1)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000671739681 543183721 /nfs/dbraw/zinc/18/37/21/543183721.db2.gz SAMINHUYZLWRJF-OAHLLOKOSA-N 2 1 287.407 3.190 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000671752443 543185644 /nfs/dbraw/zinc/18/56/44/543185644.db2.gz YYGNFJPQMSVNJT-XFWGSAIBSA-N 2 1 298.474 3.254 20 0 CGADMP CCC1CC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000551535569 289121187 /nfs/dbraw/zinc/12/11/87/289121187.db2.gz ZTEJFYJAURTLSR-LBDPXKHJSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000043315846 397616158 /nfs/dbraw/zinc/61/61/58/397616158.db2.gz KXPCYPYCKBTFKC-MSOLQXFVSA-N 2 1 272.436 3.267 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062078768 397637950 /nfs/dbraw/zinc/63/79/50/397637950.db2.gz XJSXPMDSBDOPCA-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000187887916 397661894 /nfs/dbraw/zinc/66/18/94/397661894.db2.gz HYODACZDWDSYAE-KBPBESRZSA-N 2 1 280.843 3.375 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000302010664 397675995 /nfs/dbraw/zinc/67/59/95/397675995.db2.gz AKGZVXFSNOWHDH-SJORKVTESA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000302010664 397675998 /nfs/dbraw/zinc/67/59/98/397675998.db2.gz AKGZVXFSNOWHDH-SJORKVTESA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352541219 397685319 /nfs/dbraw/zinc/68/53/19/397685319.db2.gz VFFLTDXNUNMHBO-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352541219 397685320 /nfs/dbraw/zinc/68/53/20/397685320.db2.gz VFFLTDXNUNMHBO-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCc2ccccc21 ZINC000649835600 397734743 /nfs/dbraw/zinc/73/47/43/397734743.db2.gz MEIGJGQCSKKMFL-RDJZCZTQSA-N 2 1 272.436 3.133 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCc2ccccc21 ZINC000649835600 397734744 /nfs/dbraw/zinc/73/47/44/397734744.db2.gz MEIGJGQCSKKMFL-RDJZCZTQSA-N 2 1 272.436 3.133 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCc2ccccc21 ZINC000649835600 397734748 /nfs/dbraw/zinc/73/47/48/397734748.db2.gz MEIGJGQCSKKMFL-RDJZCZTQSA-N 2 1 272.436 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)CC)[C@@H](C)C1 ZINC000674305656 543280807 /nfs/dbraw/zinc/28/08/07/543280807.db2.gz NBMDWSTZMJOCOG-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC000650503768 397860033 /nfs/dbraw/zinc/86/00/33/397860033.db2.gz XQMXVUDGRYELAF-ZDUSSCGKSA-N 2 1 292.854 3.301 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c1)CCC2 ZINC000650704319 397897848 /nfs/dbraw/zinc/89/78/48/397897848.db2.gz SZMJEWAKVITMEX-QFBILLFUSA-N 2 1 284.447 3.139 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)[C@@H]1CC[NH3+] ZINC000650710971 397898812 /nfs/dbraw/zinc/89/88/12/397898812.db2.gz DVQVPLJSSJGIHO-GXTWGEPZSA-N 2 1 295.496 3.390 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)s2)[C@@H]1CC[NH3+] ZINC000650710971 397898815 /nfs/dbraw/zinc/89/88/15/397898815.db2.gz DVQVPLJSSJGIHO-GXTWGEPZSA-N 2 1 295.496 3.390 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)[C@@H]1CC[NH3+] ZINC000650710974 397898854 /nfs/dbraw/zinc/89/88/54/397898854.db2.gz DVQVPLJSSJGIHO-TZMCWYRMSA-N 2 1 295.496 3.390 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)s2)[C@@H]1CC[NH3+] ZINC000650710974 397898856 /nfs/dbraw/zinc/89/88/56/397898856.db2.gz DVQVPLJSSJGIHO-TZMCWYRMSA-N 2 1 295.496 3.390 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)CC[NH2+]1 ZINC000650725202 397902651 /nfs/dbraw/zinc/90/26/51/397902651.db2.gz VMWBCHSTBVWFMD-RRFJBIMHSA-N 2 1 290.426 3.175 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650724869 397902695 /nfs/dbraw/zinc/90/26/95/397902695.db2.gz NVDCJFRCJUCVJJ-CWQOZTLDSA-N 2 1 294.483 3.174 20 0 CGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000421822959 292135763 /nfs/dbraw/zinc/13/57/63/292135763.db2.gz BTQOLDKKWZVHNQ-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP CCCC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000675638139 543349888 /nfs/dbraw/zinc/34/98/88/543349888.db2.gz QUSGPVIGZPSDEE-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000675770718 543363836 /nfs/dbraw/zinc/36/38/36/543363836.db2.gz XYFMGTKPPQEEAH-NVXWUHKLSA-N 2 1 274.452 3.427 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675938465 543375380 /nfs/dbraw/zinc/37/53/80/543375380.db2.gz NBZIYIRPVDJKLJ-MAUKXSAKSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000675938465 543375384 /nfs/dbraw/zinc/37/53/84/543375384.db2.gz NBZIYIRPVDJKLJ-MAUKXSAKSA-N 2 1 270.420 3.348 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000677237166 543440613 /nfs/dbraw/zinc/44/06/13/543440613.db2.gz DPDUWLTZBJKGPE-GJZGRUSLSA-N 2 1 290.426 3.320 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677240019 543441465 /nfs/dbraw/zinc/44/14/65/543441465.db2.gz CZQIODJPPJQDOT-WCXIOVBPSA-N 2 1 264.457 3.419 20 0 CGADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000419255218 286014045 /nfs/dbraw/zinc/01/40/45/286014045.db2.gz YGWGMRLXJDZKRS-NUJGCVRESA-N 2 1 296.499 3.290 20 0 CGADMP c1ccc2c(c1)n[nH]c2CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000678272565 543508115 /nfs/dbraw/zinc/50/81/15/543508115.db2.gz DEJIBPSGLRNRQA-OAHLLOKOSA-N 2 1 298.434 3.013 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678277740 543509475 /nfs/dbraw/zinc/50/94/75/543509475.db2.gz ZEWBUEFCDGAVBV-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678277740 543509476 /nfs/dbraw/zinc/50/94/76/543509476.db2.gz ZEWBUEFCDGAVBV-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000375887247 286048993 /nfs/dbraw/zinc/04/89/93/286048993.db2.gz IMRLHMZTZDYPHN-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(C)n1 ZINC000678412446 543521874 /nfs/dbraw/zinc/52/18/74/543521874.db2.gz WVNGQXPQSUHWFG-INIZCTEOSA-N 2 1 289.467 3.471 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000678765839 543554059 /nfs/dbraw/zinc/55/40/59/543554059.db2.gz HAPZJGLCVWROOF-KSSFIOAISA-N 2 1 283.419 3.495 20 0 CGADMP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000678930321 543573605 /nfs/dbraw/zinc/57/36/05/543573605.db2.gz HVMAXAMDYGIZTF-KSSFIOAISA-N 2 1 270.420 3.162 20 0 CGADMP Fc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000679013669 543582140 /nfs/dbraw/zinc/58/21/40/543582140.db2.gz MAUYZTGNIPUHMX-IAGOWNOFSA-N 2 1 288.410 3.421 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC000555597424 289351374 /nfs/dbraw/zinc/35/13/74/289351374.db2.gz HIPHHXHERRZMJY-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC000555597424 289351379 /nfs/dbraw/zinc/35/13/79/289351379.db2.gz HIPHHXHERRZMJY-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)[C@H]2CCC[C@@H]21 ZINC000556254097 289382064 /nfs/dbraw/zinc/38/20/64/289382064.db2.gz LSTCRMJTVCZVBD-PMPSAXMXSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361768451 292337430 /nfs/dbraw/zinc/33/74/30/292337430.db2.gz YWTMBXMMGWQCCC-ZOBUZTSGSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361768451 292337431 /nfs/dbraw/zinc/33/74/31/292337431.db2.gz YWTMBXMMGWQCCC-ZOBUZTSGSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1(C)CC1 ZINC000247011613 287022326 /nfs/dbraw/zinc/02/23/26/287022326.db2.gz LGIMAGUDDSQFRQ-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836317 287028954 /nfs/dbraw/zinc/02/89/54/287028954.db2.gz WBHGNAQFANIHGS-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP CCc1cc(NCCC[N@@H+]2CCCC[C@H]2C)nc(C)[nH+]1 ZINC000088760111 287087805 /nfs/dbraw/zinc/08/78/05/287087805.db2.gz HIFDGMIGARDYKS-CYBMUJFWSA-N 2 1 276.428 3.024 20 0 CGADMP CCc1cc(NCCC[N@H+]2CCCC[C@H]2C)nc(C)[nH+]1 ZINC000088760111 287087809 /nfs/dbraw/zinc/08/78/09/287087809.db2.gz HIFDGMIGARDYKS-CYBMUJFWSA-N 2 1 276.428 3.024 20 0 CGADMP CCc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)nc(C)[nH+]1 ZINC000088760110 287087928 /nfs/dbraw/zinc/08/79/28/287087928.db2.gz HIFDGMIGARDYKS-ZDUSSCGKSA-N 2 1 276.428 3.024 20 0 CGADMP CCc1cc(NCCC[N@H+]2CCCC[C@@H]2C)nc(C)[nH+]1 ZINC000088760110 287087931 /nfs/dbraw/zinc/08/79/31/287087931.db2.gz HIFDGMIGARDYKS-ZDUSSCGKSA-N 2 1 276.428 3.024 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000066152363 165035671 /nfs/dbraw/zinc/03/56/71/165035671.db2.gz BBVJZKPKWSTZBS-KRWDZBQOSA-N 2 1 290.451 3.153 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000066152363 165035672 /nfs/dbraw/zinc/03/56/72/165035672.db2.gz BBVJZKPKWSTZBS-KRWDZBQOSA-N 2 1 290.451 3.153 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCSC)CC1 ZINC000075642718 165100724 /nfs/dbraw/zinc/10/07/24/165100724.db2.gz METGZXZSYFCACU-UHFFFAOYSA-N 2 1 272.502 3.183 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(F)c1 ZINC000078687435 165136651 /nfs/dbraw/zinc/13/66/51/165136651.db2.gz FVPGQPKKEUORGH-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(F)c1 ZINC000078687435 165136652 /nfs/dbraw/zinc/13/66/52/165136652.db2.gz FVPGQPKKEUORGH-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(F)c1 ZINC000078687435 165136654 /nfs/dbraw/zinc/13/66/54/165136654.db2.gz FVPGQPKKEUORGH-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(F)c1 ZINC000078687435 165136656 /nfs/dbraw/zinc/13/66/56/165136656.db2.gz FVPGQPKKEUORGH-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000090469149 165234878 /nfs/dbraw/zinc/23/48/78/165234878.db2.gz GLYIVTAEYDYJSC-LZLYRXPVSA-N 2 1 274.452 3.164 20 0 CGADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CCC1 ZINC000090399561 287100863 /nfs/dbraw/zinc/10/08/63/287100863.db2.gz YSGURRNBFJPPQP-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000091335646 287107607 /nfs/dbraw/zinc/10/76/07/287107607.db2.gz KKOTZLRUXFCBKD-CRAIPNDOSA-N 2 1 290.451 3.324 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)ccc2c1 ZINC000094338782 165350749 /nfs/dbraw/zinc/35/07/49/165350749.db2.gz WMUBETISEREAJW-UGSOOPFHSA-N 2 1 284.403 3.018 20 0 CGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094522042 165353168 /nfs/dbraw/zinc/35/31/68/165353168.db2.gz CSSRHSAMDOUWLR-JWTNVVGKSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccoc1 ZINC000094867662 287123017 /nfs/dbraw/zinc/12/30/17/287123017.db2.gz UTMPIYWUDFWQPC-NSHDSACASA-N 2 1 250.386 3.239 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000121205302 287194580 /nfs/dbraw/zinc/19/45/80/287194580.db2.gz FFUNKEJNXNFPHH-RDJZCZTQSA-N 2 1 260.425 3.042 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC2CCCCCC2)CC1 ZINC000125277045 287242102 /nfs/dbraw/zinc/24/21/02/287242102.db2.gz WOKARNNXEZFOAQ-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC2CCCCCC2)CC1 ZINC000125277045 287242103 /nfs/dbraw/zinc/24/21/03/287242103.db2.gz WOKARNNXEZFOAQ-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000125975769 287254256 /nfs/dbraw/zinc/25/42/56/287254256.db2.gz OBYZWQJEVJJLQQ-GDBMZVCRSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC1(C)C ZINC000094303056 287268428 /nfs/dbraw/zinc/26/84/28/287268428.db2.gz KTGALHKIRBAQGJ-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000285509255 196307609 /nfs/dbraw/zinc/30/76/09/196307609.db2.gz AZSXYYCCXBUMLJ-CZUORRHYSA-N 2 1 278.465 3.122 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000285510751 196309432 /nfs/dbraw/zinc/30/94/32/196309432.db2.gz QXEGDKOLFYABFQ-OAHLLOKOSA-N 2 1 272.392 3.254 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408195 173184063 /nfs/dbraw/zinc/18/40/63/173184063.db2.gz YHWIQECQHJCHQL-CYBMUJFWSA-N 2 1 298.352 3.279 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000038040665 174041473 /nfs/dbraw/zinc/04/14/73/174041473.db2.gz GGDMRYZSXOZRTL-SECBINFHSA-N 2 1 273.207 3.396 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000127572313 287291037 /nfs/dbraw/zinc/29/10/37/287291037.db2.gz VGNPYPAPIFIACS-UONOGXRCSA-N 2 1 266.404 3.249 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746487 174391290 /nfs/dbraw/zinc/39/12/90/174391290.db2.gz IBQYZHNATXZHDH-YIONKMFJSA-N 2 1 264.800 3.055 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441356600 287299269 /nfs/dbraw/zinc/29/92/69/287299269.db2.gz MIHSGMRNUKBORQ-SQNIBIBYSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441356600 287299271 /nfs/dbraw/zinc/29/92/71/287299271.db2.gz MIHSGMRNUKBORQ-SQNIBIBYSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441356600 287299272 /nfs/dbraw/zinc/29/92/72/287299272.db2.gz MIHSGMRNUKBORQ-SQNIBIBYSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441356600 287299274 /nfs/dbraw/zinc/29/92/74/287299274.db2.gz MIHSGMRNUKBORQ-SQNIBIBYSA-N 2 1 296.499 3.388 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000312777157 416533480 /nfs/dbraw/zinc/53/34/80/416533480.db2.gz AFSFKCSQZOWSNN-JQHSSLGASA-N 2 1 270.420 3.125 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)[C@@H]1CC[NH3+] ZINC000404377887 416552897 /nfs/dbraw/zinc/55/28/97/416552897.db2.gz SQTWVPMMBIRCDF-GXTWGEPZSA-N 2 1 298.377 3.237 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)[C@@H]1CC[NH3+] ZINC000404377887 416552900 /nfs/dbraw/zinc/55/29/00/416552900.db2.gz SQTWVPMMBIRCDF-GXTWGEPZSA-N 2 1 298.377 3.237 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000122312933 416503538 /nfs/dbraw/zinc/50/35/38/416503538.db2.gz XMRMEJFTDRKFJN-JSGCOSHPSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000679341963 543622808 /nfs/dbraw/zinc/62/28/08/543622808.db2.gz PROIYOMJVAUMCO-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000679444157 543636642 /nfs/dbraw/zinc/63/66/42/543636642.db2.gz UAYDMZNCULKWJO-KBAYOESNSA-N 2 1 294.483 3.188 20 0 CGADMP COc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000682069727 543819790 /nfs/dbraw/zinc/81/97/90/543819790.db2.gz HYZWYCXFRAMFHF-HZPDHXFCSA-N 2 1 290.451 3.257 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076662 543823062 /nfs/dbraw/zinc/82/30/62/543823062.db2.gz VIYZYURWHQWUIO-WMLDXEAASA-N 2 1 285.435 3.473 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076662 543823065 /nfs/dbraw/zinc/82/30/65/543823065.db2.gz VIYZYURWHQWUIO-WMLDXEAASA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076662 543823069 /nfs/dbraw/zinc/82/30/69/543823069.db2.gz VIYZYURWHQWUIO-WMLDXEAASA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076662 543823072 /nfs/dbraw/zinc/82/30/72/543823072.db2.gz VIYZYURWHQWUIO-WMLDXEAASA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+](CC)Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000682500497 543849131 /nfs/dbraw/zinc/84/91/31/543849131.db2.gz SNIPTEZQNVOYIL-YJBOKZPZSA-N 2 1 289.467 3.423 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000131330806 287376342 /nfs/dbraw/zinc/37/63/42/287376342.db2.gz JOCMZSWHQWGUDH-LSDHHAIUSA-N 2 1 280.362 3.341 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000131330806 287376343 /nfs/dbraw/zinc/37/63/43/287376343.db2.gz JOCMZSWHQWGUDH-LSDHHAIUSA-N 2 1 280.362 3.341 20 0 CGADMP c1cc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cs1 ZINC000683519198 543919738 /nfs/dbraw/zinc/91/97/38/543919738.db2.gz DWJCAMCFYMOPKU-CALCHBBNSA-N 2 1 284.428 3.066 20 0 CGADMP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCc3ccccc31)CC2 ZINC000683786002 543941886 /nfs/dbraw/zinc/94/18/86/543941886.db2.gz USKNTUPMBQGVHQ-QGZVFWFLSA-N 2 1 270.420 3.234 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3c(O)cccc23)C1 ZINC000684571927 544014926 /nfs/dbraw/zinc/01/49/26/544014926.db2.gz ROAWIYZUFWBPOE-ZDUSSCGKSA-N 2 1 285.391 3.083 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684768076 544027956 /nfs/dbraw/zinc/02/79/56/544027956.db2.gz GLEBKXRBSCFVHO-RYQLBKOJSA-N 2 1 294.483 3.331 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ncccc1C ZINC000685456713 544073059 /nfs/dbraw/zinc/07/30/59/544073059.db2.gz MQNSUZHWHDXAGN-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2C2CC2)C1 ZINC000685471132 544078418 /nfs/dbraw/zinc/07/84/18/544078418.db2.gz OENQQBFXLXFPFV-MJGOQNOKSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471132 544078419 /nfs/dbraw/zinc/07/84/19/544078419.db2.gz OENQQBFXLXFPFV-MJGOQNOKSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471132 544078420 /nfs/dbraw/zinc/07/84/20/544078420.db2.gz OENQQBFXLXFPFV-MJGOQNOKSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCc2cccnc21)C(C)(C)C ZINC000684956878 544044094 /nfs/dbraw/zinc/04/40/94/544044094.db2.gz KCXGVQAEZYZNCH-HOTGVXAUSA-N 2 1 289.467 3.415 20 0 CGADMP CC[N@@H+](CCCN[C@H]1CC[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000650741902 418935804 /nfs/dbraw/zinc/93/58/04/418935804.db2.gz NUUSQHODZMTDBX-AEFFLSMTSA-N 2 1 295.515 3.009 20 0 CGADMP CC[N@H+](CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000650741902 418935807 /nfs/dbraw/zinc/93/58/07/418935807.db2.gz NUUSQHODZMTDBX-AEFFLSMTSA-N 3 1 295.515 3.009 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000650741902 418935811 /nfs/dbraw/zinc/93/58/11/418935811.db2.gz NUUSQHODZMTDBX-AEFFLSMTSA-N 3 1 295.515 3.009 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000652222188 418936582 /nfs/dbraw/zinc/93/65/82/418936582.db2.gz HFFULRJEUXXETQ-OAHLLOKOSA-N 2 1 290.451 3.345 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222173 418937593 /nfs/dbraw/zinc/93/75/93/418937593.db2.gz GZUVKGQCWHZISA-AEFFLSMTSA-N 2 1 292.467 3.330 20 0 CGADMP Cc1ccnc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000664403484 418952737 /nfs/dbraw/zinc/95/27/37/418952737.db2.gz ODTRHHYMLULSIH-AWEZNQCLSA-N 2 1 259.397 3.209 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc(C(C)(C)C)c1 ZINC000653298866 419026027 /nfs/dbraw/zinc/02/60/27/419026027.db2.gz OJSJTTUQQLYTCQ-GDBMZVCRSA-N 2 1 290.451 3.175 20 0 CGADMP CSc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000659945427 419041542 /nfs/dbraw/zinc/04/15/42/419041542.db2.gz BXPSUFBGOAVYHF-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000659945427 419041545 /nfs/dbraw/zinc/04/15/45/419041545.db2.gz BXPSUFBGOAVYHF-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000659945427 419041547 /nfs/dbraw/zinc/04/15/47/419041547.db2.gz BXPSUFBGOAVYHF-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000655732908 419081178 /nfs/dbraw/zinc/08/11/78/419081178.db2.gz GKXATNPJASEWBH-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP CCCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655733860 419082229 /nfs/dbraw/zinc/08/22/29/419082229.db2.gz TXRKEFWRFNHPCS-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000665253590 419093704 /nfs/dbraw/zinc/09/37/04/419093704.db2.gz WSYBMZYSYIIRJX-KBRIMQKVSA-N 2 1 294.389 3.189 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655773145 419093723 /nfs/dbraw/zinc/09/37/23/419093723.db2.gz SIFSDCOLJFSDJZ-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](CCCC[NH3+])[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000665275198 419098287 /nfs/dbraw/zinc/09/82/87/419098287.db2.gz FDDWKOGOJSCYNZ-LLVKDONJSA-N 2 1 274.330 3.025 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCC2 ZINC000665277454 419100033 /nfs/dbraw/zinc/10/00/33/419100033.db2.gz BSZWPHKJDUJXHB-PDOTXMHQSA-N 2 1 290.838 3.449 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000665297396 419110192 /nfs/dbraw/zinc/11/01/92/419110192.db2.gz FJSMAZYXYRPHST-LNSITVRQSA-N 2 1 266.816 3.174 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccccc1C)C1CCCC1 ZINC000665297687 419110655 /nfs/dbraw/zinc/11/06/55/419110655.db2.gz JUUUQCWONQNPGC-YOEHRIQHSA-N 2 1 260.425 3.424 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000659982980 419052703 /nfs/dbraw/zinc/05/27/03/419052703.db2.gz ASDNFNQWUGBGMO-LBPRGKRZSA-N 2 1 262.388 3.084 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000659982980 419052704 /nfs/dbraw/zinc/05/27/04/419052704.db2.gz ASDNFNQWUGBGMO-LBPRGKRZSA-N 2 1 262.388 3.084 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2cc(C)cc(C)c21 ZINC000655694657 419067624 /nfs/dbraw/zinc/06/76/24/419067624.db2.gz IZBFRFRLERPQJG-KRWDZBQOSA-N 2 1 283.419 3.476 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CC2 ZINC000655710491 419073366 /nfs/dbraw/zinc/07/33/66/419073366.db2.gz BYRSLXATQUPOKF-WBVHZDCISA-N 2 1 272.436 3.222 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655716863 419075470 /nfs/dbraw/zinc/07/54/70/419075470.db2.gz ZEYAQNOCRGJIPY-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP CCCC[C@@H](CCC)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655721623 419076713 /nfs/dbraw/zinc/07/67/13/419076713.db2.gz QTIRUYZLXYBVAR-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CO[C@@H](C[N@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000660117108 419079090 /nfs/dbraw/zinc/07/90/90/419079090.db2.gz MBRHIDVQLHMDPI-KRWDZBQOSA-N 2 1 293.455 3.109 20 0 CGADMP CO[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000660117108 419079094 /nfs/dbraw/zinc/07/90/94/419079094.db2.gz MBRHIDVQLHMDPI-KRWDZBQOSA-N 2 1 293.455 3.109 20 0 CGADMP c1ccc([C@H]2C[C@H]2[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000660115204 419079305 /nfs/dbraw/zinc/07/93/05/419079305.db2.gz MONXMLLDBXWYIH-MTFMMBMASA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000660115204 419079309 /nfs/dbraw/zinc/07/93/09/419079309.db2.gz MONXMLLDBXWYIH-MTFMMBMASA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660115204 419079314 /nfs/dbraw/zinc/07/93/14/419079314.db2.gz MONXMLLDBXWYIH-MTFMMBMASA-N 2 1 296.458 3.491 20 0 CGADMP c1ccc([C@H]2C[C@H]2[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000660115204 419079317 /nfs/dbraw/zinc/07/93/17/419079317.db2.gz MONXMLLDBXWYIH-MTFMMBMASA-N 2 1 296.458 3.491 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000655942404 419130000 /nfs/dbraw/zinc/13/00/00/419130000.db2.gz QRHALVDXSSTJFT-ZACQAIPSSA-N 2 1 294.483 3.174 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660540913 419159905 /nfs/dbraw/zinc/15/99/05/419159905.db2.gz GNHUIEVWVDQRFU-HABKJSAYSA-N 2 1 274.399 3.225 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660540913 419159907 /nfs/dbraw/zinc/15/99/07/419159907.db2.gz GNHUIEVWVDQRFU-HABKJSAYSA-N 2 1 274.399 3.225 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCSc1ccccc1)C2 ZINC000660660130 419175998 /nfs/dbraw/zinc/17/59/98/419175998.db2.gz UPBIPSKJEUAJBW-KRWDZBQOSA-N 2 1 290.476 3.196 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCSc1ccccc1)C2 ZINC000660660130 419176001 /nfs/dbraw/zinc/17/60/01/419176001.db2.gz UPBIPSKJEUAJBW-KRWDZBQOSA-N 2 1 290.476 3.196 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCSc1ccccc1)C2 ZINC000660660130 419176002 /nfs/dbraw/zinc/17/60/02/419176002.db2.gz UPBIPSKJEUAJBW-KRWDZBQOSA-N 2 1 290.476 3.196 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCSc1ccccc1)C2 ZINC000660660130 419176005 /nfs/dbraw/zinc/17/60/05/419176005.db2.gz UPBIPSKJEUAJBW-KRWDZBQOSA-N 2 1 290.476 3.196 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCc3ccccc3C1)C2 ZINC000660662406 419179900 /nfs/dbraw/zinc/17/99/00/419179900.db2.gz JWELRCOKVGCRNE-FXAWDEMLSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCc3ccccc3C1)C2 ZINC000660662406 419179902 /nfs/dbraw/zinc/17/99/02/419179902.db2.gz JWELRCOKVGCRNE-FXAWDEMLSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCc3ccccc3C1)C2 ZINC000660662406 419179905 /nfs/dbraw/zinc/17/99/05/419179905.db2.gz JWELRCOKVGCRNE-FXAWDEMLSA-N 2 1 298.474 3.209 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCc1c(F)cccc1F)C1CCCCC1 ZINC000655941065 419128850 /nfs/dbraw/zinc/12/88/50/419128850.db2.gz LQZHUBHCYGNYLX-KRWDZBQOSA-N 2 1 296.405 3.395 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783812 419218410 /nfs/dbraw/zinc/21/84/10/419218410.db2.gz AFGRAHSTAAVTON-QGZVFWFLSA-N 2 1 290.426 3.346 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786995 419219084 /nfs/dbraw/zinc/21/90/84/419219084.db2.gz ZBMGAZPLHSBLSN-INIZCTEOSA-N 2 1 276.399 3.037 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788772 419221118 /nfs/dbraw/zinc/22/11/18/419221118.db2.gz CDZQMFHPXXFZII-UHFFFAOYSA-N 2 1 286.341 3.375 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3cnccc32)C1 ZINC000657182795 419229605 /nfs/dbraw/zinc/22/96/05/419229605.db2.gz UKOKNRQGBPRDFR-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP Cc1ncsc1-c1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000657287899 419242551 /nfs/dbraw/zinc/24/25/51/419242551.db2.gz ZRDMZDKTTFKUGD-UHFFFAOYSA-N 2 1 289.448 3.160 20 0 CGADMP CCC1(CC)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000661672567 419284458 /nfs/dbraw/zinc/28/44/58/419284458.db2.gz OKBFXSVHASFKIN-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP CCC1(CC)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000661672567 419284461 /nfs/dbraw/zinc/28/44/61/419284461.db2.gz OKBFXSVHASFKIN-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc21 ZINC000657483446 419290082 /nfs/dbraw/zinc/29/00/82/419290082.db2.gz QKCMLIQGJVONIY-VHRNVKJDSA-N 2 1 283.419 3.191 20 0 CGADMP Cc1ccc2cc(C[NH2+]CCCC[N@H+](C)C3CC3)[nH]c2c1 ZINC000657488013 419292128 /nfs/dbraw/zinc/29/21/28/419292128.db2.gz NFEQZIREQRLQIS-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](CC)C2CCCCC2)CO1 ZINC000657499517 419295610 /nfs/dbraw/zinc/29/56/10/419295610.db2.gz AVSVPIZLRYELJG-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661880543 419311915 /nfs/dbraw/zinc/31/19/15/419311915.db2.gz PGWPCTDXGXTNBU-RCCFBDPRSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661880543 419311916 /nfs/dbraw/zinc/31/19/16/419311916.db2.gz PGWPCTDXGXTNBU-RCCFBDPRSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661880543 419311917 /nfs/dbraw/zinc/31/19/17/419311917.db2.gz PGWPCTDXGXTNBU-RCCFBDPRSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000662000519 419321990 /nfs/dbraw/zinc/32/19/90/419321990.db2.gz GNNVOHSUBWUFLQ-IUDNXUCKSA-N 2 1 281.419 3.478 20 0 CGADMP COc1cccc(C2(NCc3cnc4n3CCC4)CCC2)c1 ZINC000657779725 419346104 /nfs/dbraw/zinc/34/61/04/419346104.db2.gz UFEODDNXOBBIOS-UHFFFAOYSA-N 2 1 297.402 3.007 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc2cnccc2o1 ZINC000657856731 419390227 /nfs/dbraw/zinc/39/02/27/419390227.db2.gz PMZHBUCVJICFTL-CYBMUJFWSA-N 2 1 299.418 3.495 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319703 419390511 /nfs/dbraw/zinc/39/05/11/419390511.db2.gz ATOGTHSVWNGZPI-DLBZAZTESA-N 2 1 290.451 3.099 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCOCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662312159 419390812 /nfs/dbraw/zinc/39/08/12/419390812.db2.gz HBDMJZIDVHLYFB-SJLPKXTDSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1C ZINC000657863992 419393894 /nfs/dbraw/zinc/39/38/94/419393894.db2.gz MWYKBFDZLWAJAO-INIZCTEOSA-N 2 1 291.826 3.456 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000657875929 419398314 /nfs/dbraw/zinc/39/83/14/419398314.db2.gz JSSMPMGGUQHAEP-RYUDHWBXSA-N 2 1 283.366 3.012 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000657875929 419398318 /nfs/dbraw/zinc/39/83/18/419398318.db2.gz JSSMPMGGUQHAEP-RYUDHWBXSA-N 2 1 283.366 3.012 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CCCSCC1)[NH+]1CCCCC1 ZINC000657819275 419367694 /nfs/dbraw/zinc/36/76/94/419367694.db2.gz WQJOTMNSSKBPNB-CQSZACIVSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662242517 419370210 /nfs/dbraw/zinc/37/02/10/419370210.db2.gz AMQJNEAXGOQMKL-JOCBIADPSA-N 2 1 272.436 3.239 20 0 CGADMP CC[N@@H+](C[C@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662263160 419374813 /nfs/dbraw/zinc/37/48/13/419374813.db2.gz IBFUQVWBTRCKAX-ZIAGYGMSSA-N 2 1 274.399 3.276 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C1CC(CF)(CF)C1)[NH+](C)C ZINC000657832264 419376196 /nfs/dbraw/zinc/37/61/96/419376196.db2.gz JZWXPSZDDLDNHQ-AWEZNQCLSA-N 2 1 276.415 3.030 20 0 CGADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277266 419381768 /nfs/dbraw/zinc/38/17/68/419381768.db2.gz OJWCNSFFQLABQJ-PKOBYXMFSA-N 2 1 284.447 3.182 20 0 CGADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000657838180 419382291 /nfs/dbraw/zinc/38/22/91/419382291.db2.gz OHNIELMLVQTHMG-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662273444 419382978 /nfs/dbraw/zinc/38/29/78/419382978.db2.gz XFWVUMYVTKLHDN-NVXWUHKLSA-N 2 1 272.436 3.167 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657843774 419383987 /nfs/dbraw/zinc/38/39/87/419383987.db2.gz HJFZOBCNJGFECZ-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657843774 419383991 /nfs/dbraw/zinc/38/39/91/419383991.db2.gz HJFZOBCNJGFECZ-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657847024 419385044 /nfs/dbraw/zinc/38/50/44/419385044.db2.gz ZLAFLNSIEPPKRU-OLZOCXBDSA-N 2 1 297.393 3.402 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657847024 419385049 /nfs/dbraw/zinc/38/50/49/419385049.db2.gz ZLAFLNSIEPPKRU-OLZOCXBDSA-N 2 1 297.393 3.402 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCCSCC2)([NH+](C)C)C1 ZINC000657845035 419386242 /nfs/dbraw/zinc/38/62/42/419386242.db2.gz PECOXOQCDYCYIO-OAGGEKHMSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297243 419386228 /nfs/dbraw/zinc/38/62/28/419386228.db2.gz OTIFNNOSYSAZAU-MAUKXSAKSA-N 2 1 272.436 3.459 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc2ccncc2s1 ZINC000657945849 419458055 /nfs/dbraw/zinc/45/80/55/419458055.db2.gz MUGHICZKGKKNCY-DGCLKSJQSA-N 2 1 298.415 3.158 20 0 CGADMP Cc1sccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344220 419568175 /nfs/dbraw/zinc/56/81/75/419568175.db2.gz PHVYQNWKFCFLRM-OAHLLOKOSA-N 2 1 278.465 3.268 20 0 CGADMP CCC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346248 419565485 /nfs/dbraw/zinc/56/54/85/419565485.db2.gz RPOGIVSTZCDQLO-HOCLYGCPSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347049 419567163 /nfs/dbraw/zinc/56/71/63/419567163.db2.gz GTPUBIZIKUFFDR-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1cc(C(F)(F)F)cc(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000663452706 419605820 /nfs/dbraw/zinc/60/58/20/419605820.db2.gz SWVPFIURUFCKHR-SECBINFHSA-N 2 1 275.318 3.161 20 0 CGADMP C([NH2+][C@H]1CCCC12CCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466057 419615428 /nfs/dbraw/zinc/61/54/28/419615428.db2.gz NORSTSBFSWZJOZ-SJORKVTESA-N 2 1 276.468 3.421 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466242 419616867 /nfs/dbraw/zinc/61/68/67/419616867.db2.gz PWRYRHYQUKRUPP-GXTWGEPZSA-N 2 1 292.389 3.429 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000663468887 419622034 /nfs/dbraw/zinc/62/20/34/419622034.db2.gz NFANOQCNVXILIB-GDBMZVCRSA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663471309 419625191 /nfs/dbraw/zinc/62/51/91/419625191.db2.gz XKFOTGHXCAEYSA-JKSUJKDBSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229273 419691732 /nfs/dbraw/zinc/69/17/32/419691732.db2.gz PZIVWKGPRGTPBI-IIAWOOMASA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229273 419691740 /nfs/dbraw/zinc/69/17/40/419691740.db2.gz PZIVWKGPRGTPBI-IIAWOOMASA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000227103181 287637212 /nfs/dbraw/zinc/63/72/12/287637212.db2.gz RHIOPFJETOSISA-OWSLCNJRSA-N 2 1 296.499 3.290 20 0 CGADMP CCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040623556 270029723 /nfs/dbraw/zinc/02/97/23/270029723.db2.gz WOVJOMWSFNDQGU-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535591 270036275 /nfs/dbraw/zinc/03/62/75/270036275.db2.gz VENNCFXHOZABQN-ZBFHGGJFSA-N 2 1 260.425 3.241 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534656 270036285 /nfs/dbraw/zinc/03/62/85/270036285.db2.gz VBKVLOJGHHGVIE-KGLIPLIRSA-N 2 1 278.465 3.401 20 0 CGADMP CC(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535342 270036294 /nfs/dbraw/zinc/03/62/94/270036294.db2.gz GSJGVBKTLFFYEP-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000184345736 270057937 /nfs/dbraw/zinc/05/79/37/270057937.db2.gz IKANZJNXOPFPKV-CVEARBPZSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000184345736 270057939 /nfs/dbraw/zinc/05/79/39/270057939.db2.gz IKANZJNXOPFPKV-CVEARBPZSA-N 2 1 275.440 3.161 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000096543584 265373372 /nfs/dbraw/zinc/37/33/72/265373372.db2.gz PXSXTVWWTHWPDO-CQSZACIVSA-N 2 1 278.440 3.324 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000185464464 270062915 /nfs/dbraw/zinc/06/29/15/270062915.db2.gz XJLANRHGWGCACO-OAHLLOKOSA-N 2 1 290.476 3.373 20 0 CGADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)c2csc(C(C)C)n2)C1 ZINC000186255232 270065401 /nfs/dbraw/zinc/06/54/01/270065401.db2.gz VHRCCQMCSRHWIM-STQMWFEESA-N 2 1 281.469 3.259 20 0 CGADMP c1ccc(CCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000187072598 270067774 /nfs/dbraw/zinc/06/77/74/270067774.db2.gz SJXUGWXSZZQCCM-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCc2ccccc2)C1 ZINC000187125116 270067864 /nfs/dbraw/zinc/06/78/64/270067864.db2.gz AQBJXPKFYYSKRF-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000187125116 270067865 /nfs/dbraw/zinc/06/78/65/270067865.db2.gz AQBJXPKFYYSKRF-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000187125116 270067866 /nfs/dbraw/zinc/06/78/66/270067866.db2.gz AQBJXPKFYYSKRF-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCSCC1 ZINC000187262007 270068100 /nfs/dbraw/zinc/06/81/00/270068100.db2.gz SWWPHZLLMOROML-WMLDXEAASA-N 2 1 296.524 3.372 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCSCC1 ZINC000187262007 270068101 /nfs/dbraw/zinc/06/81/01/270068101.db2.gz SWWPHZLLMOROML-WMLDXEAASA-N 2 1 296.524 3.372 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C1CCSCC1 ZINC000187201785 270068208 /nfs/dbraw/zinc/06/82/08/270068208.db2.gz ONYFDRABGNWORE-GOEBONIOSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C1CCSCC1 ZINC000187201785 270068209 /nfs/dbraw/zinc/06/82/09/270068209.db2.gz ONYFDRABGNWORE-GOEBONIOSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322395455 270093721 /nfs/dbraw/zinc/09/37/21/270093721.db2.gz RXTGZWGPJFTTCC-ODWCKFRGSA-N 2 1 278.362 3.322 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527892521 270142540 /nfs/dbraw/zinc/14/25/40/270142540.db2.gz GBMOKLURAAWJHX-RYQLBKOJSA-N 2 1 284.447 3.287 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)C[NH+](C)C ZINC000527899846 270143089 /nfs/dbraw/zinc/14/30/89/270143089.db2.gz FZUYPBDWRKJIGD-ZUZCIYMTSA-N 2 1 284.806 3.254 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC(C)(C)C2)C[C@H]1C ZINC000528398642 270163965 /nfs/dbraw/zinc/16/39/65/270163965.db2.gz UTPWXXKGNZXNBC-UKRRQHHQSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C[C@H]1C ZINC000528398642 270163966 /nfs/dbraw/zinc/16/39/66/270163966.db2.gz UTPWXXKGNZXNBC-UKRRQHHQSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C[C@H]1C ZINC000528398642 270163967 /nfs/dbraw/zinc/16/39/67/270163967.db2.gz UTPWXXKGNZXNBC-UKRRQHHQSA-N 2 1 252.446 3.227 20 0 CGADMP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C[C@@H]1c1ccccc1 ZINC000530215751 270195623 /nfs/dbraw/zinc/19/56/23/270195623.db2.gz INEWZEUGJDILIK-IXDOHACOSA-N 2 1 284.447 3.443 20 0 CGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000530233567 270196826 /nfs/dbraw/zinc/19/68/26/270196826.db2.gz XCSSMFBFIGHAOT-MRXNPFEDSA-N 2 1 290.451 3.297 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(C)c2)C[C@@H]1C ZINC000530902536 270203558 /nfs/dbraw/zinc/20/35/58/270203558.db2.gz LENZSJJIQDMJSD-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(C)c2)C[C@@H]1C ZINC000530902536 270203559 /nfs/dbraw/zinc/20/35/59/270203559.db2.gz LENZSJJIQDMJSD-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(C)c2)C[C@@H]1C ZINC000530902536 270203560 /nfs/dbraw/zinc/20/35/60/270203560.db2.gz LENZSJJIQDMJSD-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(C)c2)C[C@H]1C ZINC000530902542 270203672 /nfs/dbraw/zinc/20/36/72/270203672.db2.gz LENZSJJIQDMJSD-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(C)c2)C[C@H]1C ZINC000530902542 270203673 /nfs/dbraw/zinc/20/36/73/270203673.db2.gz LENZSJJIQDMJSD-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(C)c2)C[C@H]1C ZINC000530902542 270203674 /nfs/dbraw/zinc/20/36/74/270203674.db2.gz LENZSJJIQDMJSD-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2)C[C@@H]1C ZINC000531378658 270206198 /nfs/dbraw/zinc/20/61/98/270206198.db2.gz WHMFKEKADTUYJO-FUHWJXTLSA-N 2 1 274.452 3.424 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532214993 270214433 /nfs/dbraw/zinc/21/44/33/270214433.db2.gz UUIIHEVEKQWWMF-FZKCQIBNSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532214993 270214434 /nfs/dbraw/zinc/21/44/34/270214434.db2.gz UUIIHEVEKQWWMF-FZKCQIBNSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCSc2ccccc21 ZINC000415095919 273517356 /nfs/dbraw/zinc/51/73/56/273517356.db2.gz AAUMVAOTLKMQMQ-OCCSQVGLSA-N 2 1 264.438 3.187 20 0 CGADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423164778 274086569 /nfs/dbraw/zinc/08/65/69/274086569.db2.gz AFYSCVNNFKDDGD-HCXYKTFWSA-N 2 1 294.398 3.033 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340399740 274313261 /nfs/dbraw/zinc/31/32/61/274313261.db2.gz ZSWWTDLTQZDFDT-BSWAZPDLSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340399740 274313265 /nfs/dbraw/zinc/31/32/65/274313265.db2.gz ZSWWTDLTQZDFDT-BSWAZPDLSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000335688706 274399780 /nfs/dbraw/zinc/39/97/80/274399780.db2.gz HBRKEJWHIHGRMR-VXGBXAGGSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@]1(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCC[NH2+]C1 ZINC000423351994 274651395 /nfs/dbraw/zinc/65/13/95/274651395.db2.gz ZXFPUAUEQIIMLN-LRDDRELGSA-N 2 1 298.352 3.071 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000264388634 274862471 /nfs/dbraw/zinc/86/24/71/274862471.db2.gz RHIASTMGJFPWMA-CQSZACIVSA-N 2 1 294.402 3.166 20 0 CGADMP c1ccc2c(c1)SCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129108525 275070850 /nfs/dbraw/zinc/07/08/50/275070850.db2.gz FWZNAHSMWAJWBQ-SQWLQELKSA-N 2 1 288.460 3.440 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000249439218 275391184 /nfs/dbraw/zinc/39/11/84/275391184.db2.gz LPUOVRWECJGQHX-JKSUJKDBSA-N 2 1 250.430 3.127 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000249439218 275391185 /nfs/dbraw/zinc/39/11/85/275391185.db2.gz LPUOVRWECJGQHX-JKSUJKDBSA-N 2 1 250.430 3.127 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@H]1C1CC1 ZINC000414207648 275394694 /nfs/dbraw/zinc/39/46/94/275394694.db2.gz ZPVQHJKICCPWLN-PBHICJAKSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415008027 275911029 /nfs/dbraw/zinc/91/10/29/275911029.db2.gz VMVAYIRWRYJQDP-IHRRRGAJSA-N 2 1 276.415 3.282 20 0 CGADMP CC1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000089576227 275928540 /nfs/dbraw/zinc/92/85/40/275928540.db2.gz LPHJZRLRZCSGSA-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414812751 275984888 /nfs/dbraw/zinc/98/48/88/275984888.db2.gz LLCYUUWHJHHFFE-PQEBFOHHSA-N 2 1 260.425 3.286 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000086939109 275991519 /nfs/dbraw/zinc/99/15/19/275991519.db2.gz BMPPIGISNMWERD-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000449780938 276105972 /nfs/dbraw/zinc/10/59/72/276105972.db2.gz HKLDDWUMJYSGPW-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000449780938 276105974 /nfs/dbraw/zinc/10/59/74/276105974.db2.gz HKLDDWUMJYSGPW-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411291372 276109553 /nfs/dbraw/zinc/10/95/53/276109553.db2.gz CIIUYFZKULLRKO-FHLIZLRMSA-N 2 1 290.426 3.345 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411291372 276109555 /nfs/dbraw/zinc/10/95/55/276109555.db2.gz CIIUYFZKULLRKO-FHLIZLRMSA-N 2 1 290.426 3.345 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000341702801 276151784 /nfs/dbraw/zinc/15/17/84/276151784.db2.gz LFJBQKIMDIPORW-HBUWYVDXSA-N 2 1 288.435 3.014 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H](C)C1 ZINC000294955198 276230825 /nfs/dbraw/zinc/23/08/25/276230825.db2.gz DJKNEFGRXOQGTL-TXCZRRACSA-N 2 1 288.435 3.219 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H](C)C1 ZINC000294955198 276230826 /nfs/dbraw/zinc/23/08/26/276230826.db2.gz DJKNEFGRXOQGTL-TXCZRRACSA-N 2 1 288.435 3.219 20 0 CGADMP CC[NH2+]CC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414820825 276266654 /nfs/dbraw/zinc/26/66/54/276266654.db2.gz BIGWYRFAJBUKSP-LLVKDONJSA-N 2 1 274.330 3.008 20 0 CGADMP CC[N@@H+](C/C=C\c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435378911 276310294 /nfs/dbraw/zinc/31/02/94/276310294.db2.gz ACPYKQMQSGPJGU-VGOKWCNXSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)[NH+]1CCCC1 ZINC000510676669 276569564 /nfs/dbraw/zinc/56/95/64/276569564.db2.gz VOUITWIVEKEFHH-XHSDSOJGSA-N 2 1 270.436 3.369 20 0 CGADMP C[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000180357865 277030474 /nfs/dbraw/zinc/03/04/74/277030474.db2.gz BKZSGNQOHLMRIU-UHFFFAOYSA-N 2 1 278.827 3.403 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3sccc32)C1 ZINC000414192744 277053469 /nfs/dbraw/zinc/05/34/69/277053469.db2.gz SYAJHZKWKOJLJB-ZFWWWQNUSA-N 2 1 278.465 3.447 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2C2(CC2)C1 ZINC000186196507 277061582 /nfs/dbraw/zinc/06/15/82/277061582.db2.gz VNDGPBJSKKRRDG-MRXNPFEDSA-N 2 1 270.420 3.018 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2C2(CC2)C1 ZINC000186196507 277061584 /nfs/dbraw/zinc/06/15/84/277061584.db2.gz VNDGPBJSKKRRDG-MRXNPFEDSA-N 2 1 270.420 3.018 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186196507 277061587 /nfs/dbraw/zinc/06/15/87/277061587.db2.gz VNDGPBJSKKRRDG-MRXNPFEDSA-N 2 1 270.420 3.018 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186196507 277061588 /nfs/dbraw/zinc/06/15/88/277061588.db2.gz VNDGPBJSKKRRDG-MRXNPFEDSA-N 2 1 270.420 3.018 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2C2(CC2)C1 ZINC000186196530 277078929 /nfs/dbraw/zinc/07/89/29/277078929.db2.gz VNDGPBJSKKRRDG-INIZCTEOSA-N 2 1 270.420 3.018 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2C2(CC2)C1 ZINC000186196530 277078930 /nfs/dbraw/zinc/07/89/30/277078930.db2.gz VNDGPBJSKKRRDG-INIZCTEOSA-N 2 1 270.420 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186196530 277078932 /nfs/dbraw/zinc/07/89/32/277078932.db2.gz VNDGPBJSKKRRDG-INIZCTEOSA-N 2 1 270.420 3.018 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186196530 277078934 /nfs/dbraw/zinc/07/89/34/277078934.db2.gz VNDGPBJSKKRRDG-INIZCTEOSA-N 2 1 270.420 3.018 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC3=CCCCC3)CC[C@H]21 ZINC000450503160 277083538 /nfs/dbraw/zinc/08/35/38/277083538.db2.gz RGFONFHGZLEEJC-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC3=CCCCC3)CC[C@H]21 ZINC000450503160 277083539 /nfs/dbraw/zinc/08/35/39/277083539.db2.gz RGFONFHGZLEEJC-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC3=CCCCC3)CC[C@H]21 ZINC000450503160 277083540 /nfs/dbraw/zinc/08/35/40/277083540.db2.gz RGFONFHGZLEEJC-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000339426919 277086571 /nfs/dbraw/zinc/08/65/71/277086571.db2.gz BTXKDKLPOXVAQO-OTWHNJEPSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000339426919 277086572 /nfs/dbraw/zinc/08/65/72/277086572.db2.gz BTXKDKLPOXVAQO-OTWHNJEPSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000339426919 277086573 /nfs/dbraw/zinc/08/65/73/277086573.db2.gz BTXKDKLPOXVAQO-OTWHNJEPSA-N 2 1 284.447 3.208 20 0 CGADMP COC(C)(C)[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000336809258 277178025 /nfs/dbraw/zinc/17/80/25/277178025.db2.gz ULMXJPVQBDRJFO-AWEZNQCLSA-N 2 1 270.461 3.044 20 0 CGADMP CC(C)C[N@@H+](CCC1CC[NH2+]CC1)C1CCCC1 ZINC000094849089 277378999 /nfs/dbraw/zinc/37/89/99/277378999.db2.gz BTCVGPIXWIYVOJ-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000090585808 277392088 /nfs/dbraw/zinc/39/20/88/277392088.db2.gz HEVDYZVRZINDJS-HOTGVXAUSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000090585808 277392089 /nfs/dbraw/zinc/39/20/89/277392089.db2.gz HEVDYZVRZINDJS-HOTGVXAUSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423261806 277438530 /nfs/dbraw/zinc/43/85/30/277438530.db2.gz KYAHCCWTGGDEHZ-AAEUAGOBSA-N 2 1 262.388 3.163 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528287 278194653 /nfs/dbraw/zinc/19/46/53/278194653.db2.gz YUQKIOVSWBJODW-KFGODFMUSA-N 2 1 276.468 3.371 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528287 278194654 /nfs/dbraw/zinc/19/46/54/278194654.db2.gz YUQKIOVSWBJODW-KFGODFMUSA-N 2 1 276.468 3.371 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528287 278194657 /nfs/dbraw/zinc/19/46/57/278194657.db2.gz YUQKIOVSWBJODW-KFGODFMUSA-N 2 1 276.468 3.371 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3cccnc32)C[C@H]1C[NH3+] ZINC000397250861 288022076 /nfs/dbraw/zinc/02/20/76/288022076.db2.gz DERHPMJCNRKNRY-JKIFEVAISA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C[NH3+] ZINC000397269639 288022591 /nfs/dbraw/zinc/02/25/91/288022591.db2.gz MECQVUCZYVNNNB-JKIFEVAISA-N 2 1 283.419 3.040 20 0 CGADMP CSc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000397397387 288023523 /nfs/dbraw/zinc/02/35/23/288023523.db2.gz HFOXHKMYBJIEJI-IPYPFGDCSA-N 2 1 278.465 3.214 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C[NH3+] ZINC000397433447 288023741 /nfs/dbraw/zinc/02/37/41/288023741.db2.gz FVGSUSOSJLCBMH-IJEWVQPXSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C[NH3+] ZINC000397433447 288023742 /nfs/dbraw/zinc/02/37/42/288023742.db2.gz FVGSUSOSJLCBMH-IJEWVQPXSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423362052 278250714 /nfs/dbraw/zinc/25/07/14/278250714.db2.gz ASXBIYCXAIOSIV-LEWSCRJBSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC1(C)C ZINC000397654224 288026353 /nfs/dbraw/zinc/02/63/53/288026353.db2.gz MMZRDERCUGUWOR-MNFFZHCASA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397654224 288026356 /nfs/dbraw/zinc/02/63/56/288026356.db2.gz MMZRDERCUGUWOR-MNFFZHCASA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000157945360 278257434 /nfs/dbraw/zinc/25/74/34/278257434.db2.gz GUNPGFLWVNWQJX-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCC[C@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000092797666 278351607 /nfs/dbraw/zinc/35/16/07/278351607.db2.gz XGUYGCYPRBEGMD-HRCADAONSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1CCC[C@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000092797666 278351610 /nfs/dbraw/zinc/35/16/10/278351610.db2.gz XGUYGCYPRBEGMD-HRCADAONSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1CCC[C@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000092797666 278351611 /nfs/dbraw/zinc/35/16/11/278351611.db2.gz XGUYGCYPRBEGMD-HRCADAONSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422701355 278782186 /nfs/dbraw/zinc/78/21/86/278782186.db2.gz BSCMHQBEKJTVRQ-KZNAEPCWSA-N 3 1 295.515 3.009 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000484293427 288076922 /nfs/dbraw/zinc/07/69/22/288076922.db2.gz KTRWEYCRCTYVNH-RFGFWPKPSA-N 2 1 292.389 3.285 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459382461 288086328 /nfs/dbraw/zinc/08/63/28/288086328.db2.gz FDLLQWPNJPXACD-AWEZNQCLSA-N 2 1 283.419 3.495 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000013734082 279099998 /nfs/dbraw/zinc/09/99/98/279099998.db2.gz WPGHIPCJBIAXBW-UHFFFAOYSA-N 2 1 299.256 3.271 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000268769007 279355316 /nfs/dbraw/zinc/35/53/16/279355316.db2.gz PBBPIDFMAUVOGB-INIZCTEOSA-N 2 1 276.424 3.220 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000268769007 279355319 /nfs/dbraw/zinc/35/53/19/279355319.db2.gz PBBPIDFMAUVOGB-INIZCTEOSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283488393 279455202 /nfs/dbraw/zinc/45/52/02/279455202.db2.gz XTLWFUSFUKKPNY-JVPBZIDWSA-N 2 1 284.447 3.395 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000527229700 288158031 /nfs/dbraw/zinc/15/80/31/288158031.db2.gz HSDHJVUXLXWVOT-UHFFFAOYSA-N 2 1 279.334 3.309 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000527222201 288157408 /nfs/dbraw/zinc/15/74/08/288157408.db2.gz GCPGHNNVVVSVFA-UHFFFAOYSA-N 2 1 276.399 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527654485 288182790 /nfs/dbraw/zinc/18/27/90/288182790.db2.gz QMVFKLAEMXNUTL-MRXNPFEDSA-N 2 1 285.435 3.378 20 0 CGADMP C/C(Cl)=C/C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000528515514 288204903 /nfs/dbraw/zinc/20/49/03/288204903.db2.gz HDNILLLWYBMYQH-JYOAFUTRSA-N 2 1 298.780 3.478 20 0 CGADMP C/C(Cl)=C\C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000528515518 288204921 /nfs/dbraw/zinc/20/49/21/288204921.db2.gz HDNILLLWYBMYQH-QDEBKDIKSA-N 2 1 298.780 3.478 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+]1CCCC1 ZINC000314301064 280254712 /nfs/dbraw/zinc/25/47/12/280254712.db2.gz YXAZADWYKITAJE-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429534771 280254852 /nfs/dbraw/zinc/25/48/52/280254852.db2.gz FZACLNWWSWRJLP-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429534771 280254853 /nfs/dbraw/zinc/25/48/53/280254853.db2.gz FZACLNWWSWRJLP-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000401683590 280262230 /nfs/dbraw/zinc/26/22/30/280262230.db2.gz AVAMXNYKCBCYIV-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CC(C)(C)[NH3+])CC2 ZINC000423290014 280308717 /nfs/dbraw/zinc/30/87/17/280308717.db2.gz ZADYUFCZPKPOGS-GFCCVEGCSA-N 2 1 297.240 3.072 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000423384582 280333582 /nfs/dbraw/zinc/33/35/82/280333582.db2.gz GDEOZQPNFPQKGV-LYRGGWFBSA-N 2 1 282.378 3.250 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000423384584 280335044 /nfs/dbraw/zinc/33/50/44/280335044.db2.gz GDEOZQPNFPQKGV-RLCCDNCMSA-N 2 1 282.378 3.250 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699262 281016630 /nfs/dbraw/zinc/01/66/30/281016630.db2.gz SEBPWTQTJNZIMN-TYNCELHUSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@@H](CCC1CCCCC1)[NH2+]CCc1c[nH+]cn1C ZINC000530407329 288305221 /nfs/dbraw/zinc/30/52/21/288305221.db2.gz QFMLNQIBAGSVRO-AWEZNQCLSA-N 2 1 263.429 3.301 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166329840 281272133 /nfs/dbraw/zinc/27/21/33/281272133.db2.gz WZWPTLYLBAAQMA-KEYYUXOJSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166329840 281272134 /nfs/dbraw/zinc/27/21/34/281272134.db2.gz WZWPTLYLBAAQMA-KEYYUXOJSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000488773981 281309060 /nfs/dbraw/zinc/30/90/60/281309060.db2.gz HARAMVBBDMAEOK-IBGZPJMESA-N 2 1 295.430 3.384 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420294207 281366177 /nfs/dbraw/zinc/36/61/77/281366177.db2.gz AXJDYONOWSEFCQ-IAGOWNOFSA-N 2 1 272.436 3.174 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250976738 281383269 /nfs/dbraw/zinc/38/32/69/281383269.db2.gz CNLLVMOEPBHVHG-JYJNAYRXSA-N 2 1 258.409 3.272 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000533531844 288385428 /nfs/dbraw/zinc/38/54/28/288385428.db2.gz KNSDOMKRHLSFES-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000533531844 288385430 /nfs/dbraw/zinc/38/54/30/288385430.db2.gz KNSDOMKRHLSFES-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000533531844 288385432 /nfs/dbraw/zinc/38/54/32/288385432.db2.gz KNSDOMKRHLSFES-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000548794080 289023411 /nfs/dbraw/zinc/02/34/11/289023411.db2.gz VJSSRURLAWAEOA-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000548794080 289023413 /nfs/dbraw/zinc/02/34/13/289023413.db2.gz VJSSRURLAWAEOA-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143133 289036160 /nfs/dbraw/zinc/03/61/60/289036160.db2.gz UVLUREIKGHELFF-LNMJFAINSA-N 2 1 284.447 3.253 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000550929163 289091140 /nfs/dbraw/zinc/09/11/40/289091140.db2.gz WXZMGIKWRSQVDK-LEUOFYLZSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000550929163 289091142 /nfs/dbraw/zinc/09/11/42/289091142.db2.gz WXZMGIKWRSQVDK-LEUOFYLZSA-N 2 1 290.426 3.377 20 0 CGADMP Cc1ccsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000552062351 289157532 /nfs/dbraw/zinc/15/75/32/289157532.db2.gz VDXYWRXNEYRTFY-RRFJBIMHSA-N 2 1 278.465 3.061 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000552063208 289157567 /nfs/dbraw/zinc/15/75/67/289157567.db2.gz SIAJDVSUYZDDJR-QYZOEREBSA-N 2 1 298.474 3.472 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000555002685 289323821 /nfs/dbraw/zinc/32/38/21/289323821.db2.gz KHKDEFXNZKSWBJ-OWCLPIDISA-N 2 1 262.441 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000555002685 289323823 /nfs/dbraw/zinc/32/38/23/289323823.db2.gz KHKDEFXNZKSWBJ-OWCLPIDISA-N 2 1 262.441 3.497 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC000555597424 289351373 /nfs/dbraw/zinc/35/13/73/289351373.db2.gz HIPHHXHERRZMJY-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000556118523 289371785 /nfs/dbraw/zinc/37/17/85/289371785.db2.gz FOIDCCPQWWBUOJ-YESZJQIVSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000556118523 289371787 /nfs/dbraw/zinc/37/17/87/289371787.db2.gz FOIDCCPQWWBUOJ-YESZJQIVSA-N 2 1 272.436 3.458 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000556202421 289377176 /nfs/dbraw/zinc/37/71/76/289377176.db2.gz NKQALHNTGVAYRD-ZFZWDLNGSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000556202421 289377179 /nfs/dbraw/zinc/37/71/79/289377179.db2.gz NKQALHNTGVAYRD-ZFZWDLNGSA-N 2 1 276.399 3.002 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000562019150 289667826 /nfs/dbraw/zinc/66/78/26/289667826.db2.gz HCUISOJMBUMISQ-RBZJEDDUSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCC(F)(F)CC1 ZINC000353277938 290018481 /nfs/dbraw/zinc/01/84/81/290018481.db2.gz YJNVBWPLNWTQMA-CFVMTHIKSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCC(F)(F)CC1 ZINC000353277938 290018484 /nfs/dbraw/zinc/01/84/84/290018484.db2.gz YJNVBWPLNWTQMA-CFVMTHIKSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169673 290215857 /nfs/dbraw/zinc/21/58/57/290215857.db2.gz CDFZBTFQTSFGMB-VXGBXAGGSA-N 2 1 268.351 3.087 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3ccccc32)CCCCC1 ZINC000423183460 295209297 /nfs/dbraw/zinc/20/92/97/295209297.db2.gz RZTCCEMDUVWKAM-OAHLLOKOSA-N 2 1 274.408 3.152 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2occc21)C1CCCCC1 ZINC000423271758 295264500 /nfs/dbraw/zinc/26/45/00/295264500.db2.gz YDPZKECSEFDISN-CABCVRRESA-N 2 1 262.397 3.154 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1CCCCC1 ZINC000423260378 295264579 /nfs/dbraw/zinc/26/45/79/295264579.db2.gz HFZULLBJBGJKCS-XDNAFOTISA-N 2 1 294.483 3.079 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423389823 297110114 /nfs/dbraw/zinc/11/01/14/297110114.db2.gz JUAJEBSXIJWRFK-DFBGVHRSSA-N 2 1 294.826 3.141 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000286939263 302282172 /nfs/dbraw/zinc/28/21/72/302282172.db2.gz BAUWTZOKWCFZLM-HNNXBMFYSA-N 2 1 275.440 3.163 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358953440 302386896 /nfs/dbraw/zinc/38/68/96/302386896.db2.gz MWTVKHDKZPYWHB-XHSDSOJGSA-N 2 1 273.424 3.232 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000420331478 303126189 /nfs/dbraw/zinc/12/61/89/303126189.db2.gz QVGZXWCCPSVJTM-ZNMIVQPWSA-N 2 1 286.410 3.133 20 0 CGADMP CCc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000163559726 328123187 /nfs/dbraw/zinc/12/31/87/328123187.db2.gz BXGVAPSQCARYHL-YJBOKZPZSA-N 2 1 288.479 3.456 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000158701653 321821658 /nfs/dbraw/zinc/82/16/58/321821658.db2.gz RREPXTCVWVGEQX-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)cc1 ZINC000401869703 321969399 /nfs/dbraw/zinc/96/93/99/321969399.db2.gz JUIJSEUQUJSPHL-QGZVFWFLSA-N 2 1 269.392 3.012 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000401657234 321969424 /nfs/dbraw/zinc/96/94/24/321969424.db2.gz ASGWXQLZAOPXOW-UHFFFAOYSA-N 2 1 251.418 3.013 20 0 CGADMP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)[N@@H+]1CCCC[C@H]1C ZINC000564529348 322033275 /nfs/dbraw/zinc/03/32/75/322033275.db2.gz OMYKIGPDSKNDAB-CVEARBPZSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)[N@H+]1CCCC[C@H]1C ZINC000564529348 322033277 /nfs/dbraw/zinc/03/32/77/322033277.db2.gz OMYKIGPDSKNDAB-CVEARBPZSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000565282537 322071497 /nfs/dbraw/zinc/07/14/97/322071497.db2.gz AHOVZCFFRNKVDV-ZFWWWQNUSA-N 2 1 266.454 3.095 20 0 CGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C)cc1 ZINC000565311778 322072916 /nfs/dbraw/zinc/07/29/16/322072916.db2.gz JPWOTJSUXNPCEW-KRWDZBQOSA-N 2 1 271.408 3.402 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566230410 322110709 /nfs/dbraw/zinc/11/07/09/322110709.db2.gz PGFFUSMWQGSLCO-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566230410 322110711 /nfs/dbraw/zinc/11/07/11/322110711.db2.gz PGFFUSMWQGSLCO-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CC(C)C1CCC([N@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000566416043 322121667 /nfs/dbraw/zinc/12/16/67/322121667.db2.gz MDHHPGQUZVNEKE-UHFFFAOYSA-N 2 1 277.456 3.499 20 0 CGADMP CC(C)C1CCC([N@@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000566416043 322121668 /nfs/dbraw/zinc/12/16/68/322121668.db2.gz MDHHPGQUZVNEKE-UHFFFAOYSA-N 2 1 277.456 3.499 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000566529514 322128533 /nfs/dbraw/zinc/12/85/33/322128533.db2.gz MAKLEFZMWGMWKF-IBGZPJMESA-N 2 1 286.463 3.467 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000567363380 322160751 /nfs/dbraw/zinc/16/07/51/322160751.db2.gz CQXXVQVATPNMSP-JSGCOSHPSA-N 2 1 264.438 3.110 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000567363380 322160753 /nfs/dbraw/zinc/16/07/53/322160753.db2.gz CQXXVQVATPNMSP-JSGCOSHPSA-N 2 1 264.438 3.110 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000567425047 322162874 /nfs/dbraw/zinc/16/28/74/322162874.db2.gz VOPIWVDEWNTDSW-HOTGVXAUSA-N 2 1 292.467 3.336 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000567425047 322162876 /nfs/dbraw/zinc/16/28/76/322162876.db2.gz VOPIWVDEWNTDSW-HOTGVXAUSA-N 2 1 292.467 3.336 20 0 CGADMP [NH3+]C[C@H](C[N@H+]1CCCc2ccccc2C1)c1ccc(F)cc1 ZINC000568382462 322206974 /nfs/dbraw/zinc/20/69/74/322206974.db2.gz RAOBCHYTCWZODH-GOSISDBHSA-N 2 1 298.405 3.316 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000569211415 322239231 /nfs/dbraw/zinc/23/92/31/322239231.db2.gz MJDZGKVPWIYCBW-NSHDSACASA-N 2 1 290.329 3.235 20 0 CGADMP C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C[C@H]1n1ccnc1 ZINC000569634702 322252740 /nfs/dbraw/zinc/25/27/40/322252740.db2.gz YYXOWRXGIVFVQL-HNAYVOBHSA-N 2 1 295.430 3.181 20 0 CGADMP [NH3+]CC12CCC(CC1)C[N@H+]2[C@@H]1CCCc2ccccc21 ZINC000569744747 322255949 /nfs/dbraw/zinc/25/59/49/322255949.db2.gz PEGLNLGIBDZYGQ-ZCDVPAHGSA-N 2 1 270.420 3.267 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000569863162 322259060 /nfs/dbraw/zinc/25/90/60/322259060.db2.gz MDXFMZLZEYVEKB-QAPCUYQASA-N 2 1 298.430 3.420 20 0 CGADMP Cc1cc([C@H](C)NCC[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC000570128044 322265390 /nfs/dbraw/zinc/26/53/90/322265390.db2.gz RWQBYTGNSCFFSU-YPMHNXCESA-N 2 1 266.454 3.357 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)ccn1 ZINC000570468042 322274298 /nfs/dbraw/zinc/27/42/98/322274298.db2.gz OKGNGWQTYSFJTG-HNNXBMFYSA-N 2 1 293.455 3.250 20 0 CGADMP CC(C)CCC[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000570605069 322277527 /nfs/dbraw/zinc/27/75/27/322277527.db2.gz PCPDLSRRXCASRD-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000571157947 322291309 /nfs/dbraw/zinc/29/13/09/322291309.db2.gz NFUGJNXYMMCVTR-FUHWJXTLSA-N 2 1 296.499 3.029 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000572832940 322356863 /nfs/dbraw/zinc/35/68/63/322356863.db2.gz OMBGHKXKLFGDQX-YOEHRIQHSA-N 2 1 276.424 3.044 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000572924465 322361313 /nfs/dbraw/zinc/36/13/13/322361313.db2.gz SSBGIYDXKMMJTO-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000572924465 322361315 /nfs/dbraw/zinc/36/13/15/322361315.db2.gz SSBGIYDXKMMJTO-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCc1cncn1C ZINC000572981206 322364577 /nfs/dbraw/zinc/36/45/77/322364577.db2.gz VGQZCITTWGBIKO-YJBOKZPZSA-N 2 1 283.419 3.231 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000572981206 322364578 /nfs/dbraw/zinc/36/45/78/322364578.db2.gz VGQZCITTWGBIKO-YJBOKZPZSA-N 2 1 283.419 3.231 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000572981206 322364580 /nfs/dbraw/zinc/36/45/80/322364580.db2.gz VGQZCITTWGBIKO-YJBOKZPZSA-N 2 1 283.419 3.231 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@H](C)CC[NH+](C)C)c2c1 ZINC000573202112 322375330 /nfs/dbraw/zinc/37/53/30/322375330.db2.gz NNXZQCQRLWOFFD-CYBMUJFWSA-N 2 1 257.381 3.295 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)ccc1OCC ZINC000573197666 322375358 /nfs/dbraw/zinc/37/53/58/322375358.db2.gz RLCWOTPVOLFMIU-GFCCVEGCSA-N 2 1 284.831 3.389 20 0 CGADMP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000215403723 327233051 /nfs/dbraw/zinc/23/30/51/327233051.db2.gz FTRAHEJZJKLQTR-INIZCTEOSA-N 2 1 260.425 3.123 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000312018084 327525969 /nfs/dbraw/zinc/52/59/69/327525969.db2.gz VMCQPJODXXSXFA-SNVBAGLBSA-N 2 1 281.762 3.335 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000582695371 329128888 /nfs/dbraw/zinc/12/88/88/329128888.db2.gz LVAKGBYGNHUQHO-GJZGRUSLSA-N 2 1 266.429 3.311 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000582695371 329128889 /nfs/dbraw/zinc/12/88/89/329128889.db2.gz LVAKGBYGNHUQHO-GJZGRUSLSA-N 2 1 266.429 3.311 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000582845235 329273082 /nfs/dbraw/zinc/27/30/82/329273082.db2.gz LVOMWAWDJDFSCR-VXGBXAGGSA-N 2 1 275.421 3.026 20 0 CGADMP COc1ccccc1-c1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000580430776 330134640 /nfs/dbraw/zinc/13/46/40/330134640.db2.gz WNKLZKPYCZPWTM-UHFFFAOYSA-N 2 1 284.403 3.143 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000342236719 335178368 /nfs/dbraw/zinc/17/83/68/335178368.db2.gz SSXXTJOIZBPBGS-QGZUEGPWSA-N 2 1 250.430 3.293 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000577583336 335372991 /nfs/dbraw/zinc/37/29/91/335372991.db2.gz IEPGFQGQQOFCBN-NVXWUHKLSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000577583336 335372992 /nfs/dbraw/zinc/37/29/92/335372992.db2.gz IEPGFQGQQOFCBN-NVXWUHKLSA-N 2 1 272.436 3.397 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccn1 ZINC000579187090 335719202 /nfs/dbraw/zinc/71/92/02/335719202.db2.gz HRMXSAMNMYEMQA-GFCCVEGCSA-N 2 1 291.439 3.050 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000581191195 336022009 /nfs/dbraw/zinc/02/20/09/336022009.db2.gz PKFBNWCJPWLCFI-NJAFHUGGSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CCCC[NH2+]1 ZINC000386379328 336171998 /nfs/dbraw/zinc/17/19/98/336171998.db2.gz CSNLTJDURWPERI-JQWIXIFHSA-N 2 1 272.845 3.064 20 0 CGADMP CC[C@@H](C)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000387244804 336190321 /nfs/dbraw/zinc/19/03/21/336190321.db2.gz PGVMMYPWSZQJKW-CVEARBPZSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423296536 533771493 /nfs/dbraw/zinc/77/14/93/533771493.db2.gz HEHKYEDETMBUDQ-RYUDHWBXSA-N 2 1 275.421 3.056 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449375438 533792670 /nfs/dbraw/zinc/79/26/70/533792670.db2.gz HDEOEUTUGPBEFF-VFPGXZCRSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)C1CCCCCC1 ZINC000423489502 533908234 /nfs/dbraw/zinc/90/82/34/533908234.db2.gz XGVVMMQSNINEGS-GXTWGEPZSA-N 2 1 274.399 3.180 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C[C@H]3C)oc21 ZINC000423408072 533911695 /nfs/dbraw/zinc/91/16/95/533911695.db2.gz WTORYIPNYPXMHM-MBNYWOFBSA-N 2 1 288.391 3.090 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC000150192409 533955690 /nfs/dbraw/zinc/95/56/90/533955690.db2.gz QUCAKJJHHLCONL-BXUZGUMPSA-N 2 1 268.351 3.197 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000449130463 534150204 /nfs/dbraw/zinc/15/02/04/534150204.db2.gz GPOCMXPHPGMTIX-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000428058045 534215257 /nfs/dbraw/zinc/21/52/57/534215257.db2.gz XWJVCZZUZWYQFO-DOTOQJQBSA-N 2 1 290.476 3.079 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000428058045 534215261 /nfs/dbraw/zinc/21/52/61/534215261.db2.gz XWJVCZZUZWYQFO-DOTOQJQBSA-N 2 1 290.476 3.079 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000102421808 518414821 /nfs/dbraw/zinc/41/48/21/518414821.db2.gz JDVCTNRXQLOTMZ-HKBKRHGFSA-N 2 1 270.420 3.164 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427101685 534466035 /nfs/dbraw/zinc/46/60/35/534466035.db2.gz CMGFFBQUKZSMTO-NVXWUHKLSA-N 2 1 282.387 3.130 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427101685 534466040 /nfs/dbraw/zinc/46/60/40/534466040.db2.gz CMGFFBQUKZSMTO-NVXWUHKLSA-N 2 1 282.387 3.130 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3cccnc32)C1 ZINC000081568056 521492281 /nfs/dbraw/zinc/49/22/81/521492281.db2.gz IPSAFVUKQMJDDR-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000081568056 521492290 /nfs/dbraw/zinc/49/22/90/521492290.db2.gz IPSAFVUKQMJDDR-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000081568056 521492299 /nfs/dbraw/zinc/49/22/99/521492299.db2.gz IPSAFVUKQMJDDR-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C1CC1 ZINC000161724672 522363751 /nfs/dbraw/zinc/36/37/51/522363751.db2.gz NWPCNICQKKPPHU-GOSISDBHSA-N 2 1 290.451 3.041 20 0 CGADMP C[N@@H+](Cc1ccccc1Br)C1CCC([NH3+])CC1 ZINC000055144470 523357021 /nfs/dbraw/zinc/35/70/21/523357021.db2.gz MUZBAVTXTFSUMJ-UHFFFAOYSA-N 2 1 297.240 3.151 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411974943 534773812 /nfs/dbraw/zinc/77/38/12/534773812.db2.gz BBQBOUIWZCNLQQ-GOSISDBHSA-N 2 1 295.430 3.461 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411974943 534773817 /nfs/dbraw/zinc/77/38/17/534773817.db2.gz BBQBOUIWZCNLQQ-GOSISDBHSA-N 2 1 295.430 3.461 20 0 CGADMP Cc1cccc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[nH+]1 ZINC000157305706 524541346 /nfs/dbraw/zinc/54/13/46/524541346.db2.gz YLPWVPURYBDOPQ-KRWDZBQOSA-N 2 1 287.451 3.338 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000163379098 525090911 /nfs/dbraw/zinc/09/09/11/525090911.db2.gz YSVOWJJZYLLVQL-USSHROBNSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000163379098 525090918 /nfs/dbraw/zinc/09/09/18/525090918.db2.gz YSVOWJJZYLLVQL-USSHROBNSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000052206172 525518775 /nfs/dbraw/zinc/51/87/75/525518775.db2.gz OOBNSMVONBGRDL-DZGCQCFKSA-N 2 1 264.413 3.421 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)c(C)o1 ZINC000052206172 525518781 /nfs/dbraw/zinc/51/87/81/525518781.db2.gz OOBNSMVONBGRDL-DZGCQCFKSA-N 2 1 264.413 3.421 20 0 CGADMP Clc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000157471678 527002541 /nfs/dbraw/zinc/00/25/41/527002541.db2.gz IHRBHEJOQNSIAN-VXGBXAGGSA-N 2 1 270.829 3.118 20 0 CGADMP Clc1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000157471678 527002543 /nfs/dbraw/zinc/00/25/43/527002543.db2.gz IHRBHEJOQNSIAN-VXGBXAGGSA-N 2 1 270.829 3.118 20 0 CGADMP C(=C/c1ccccc1)\C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366885262 527468034 /nfs/dbraw/zinc/46/80/34/527468034.db2.gz NEGJBYFAGGZZLO-JXMROGBWSA-N 2 1 270.420 3.306 20 0 CGADMP CC[N@@H+](C)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449106093 527800477 /nfs/dbraw/zinc/80/04/77/527800477.db2.gz GJTFJPYLWZJWDZ-UHFFFAOYSA-N 2 1 297.531 3.207 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2C[C@@H]2C)c1 ZINC000414109224 527845753 /nfs/dbraw/zinc/84/57/53/527845753.db2.gz GYYDVZFLRYRBAM-VBQJREDUSA-N 2 1 260.425 3.272 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(CSC)CC2)[C@@H](C)C1 ZINC000449172222 527880368 /nfs/dbraw/zinc/88/03/68/527880368.db2.gz VHVZOKXFVVREQB-LBDPXKHJSA-N 2 1 284.513 3.228 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cc2cccnc2o1 ZINC000449058132 528059294 /nfs/dbraw/zinc/05/92/94/528059294.db2.gz GNKHEWFLFGHCAF-UHFFFAOYSA-N 2 1 289.423 3.430 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423283736 528203031 /nfs/dbraw/zinc/20/30/31/528203031.db2.gz XLQOYQWVOXQYLX-CZUORRHYSA-N 2 1 264.413 3.108 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449088706 528254814 /nfs/dbraw/zinc/25/48/14/528254814.db2.gz BUQGBRLYNBOXNY-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423238250 528333206 /nfs/dbraw/zinc/33/32/06/528333206.db2.gz QYNFWSYDQCHNJK-VXGBXAGGSA-N 2 1 254.805 3.031 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000423301721 528823033 /nfs/dbraw/zinc/82/30/33/528823033.db2.gz URGLDLXRBBZDQX-FUHWJXTLSA-N 2 1 290.451 3.123 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000423298830 528823105 /nfs/dbraw/zinc/82/31/05/528823105.db2.gz OXJTZQHFZKVUNO-HOCLYGCPSA-N 2 1 276.424 3.316 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423287253 528952322 /nfs/dbraw/zinc/95/23/22/528952322.db2.gz LCSMQILAIGDSAT-LLVKDONJSA-N 2 1 277.437 3.464 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000423295515 528955664 /nfs/dbraw/zinc/95/56/64/528955664.db2.gz DYSGJBUTFVPFLC-CABCVRRESA-N 2 1 294.439 3.262 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CCCC1 ZINC000449071202 529172367 /nfs/dbraw/zinc/17/23/67/529172367.db2.gz GPGZVAGCLBILDL-CZUORRHYSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc(F)c1 ZINC000423259030 529201748 /nfs/dbraw/zinc/20/17/48/529201748.db2.gz CZQNDBDFNXLUJH-HUUCEWRRSA-N 2 1 252.377 3.240 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000480236057 534945850 /nfs/dbraw/zinc/94/58/50/534945850.db2.gz YNWITRCBWYYMKJ-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP CCCc1csc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000494000525 535451192 /nfs/dbraw/zinc/45/11/92/535451192.db2.gz SAJWYNNGNLNUAL-LBPRGKRZSA-N 2 1 292.452 3.026 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649242 535804685 /nfs/dbraw/zinc/80/46/85/535804685.db2.gz JWTTZLZLOIUCMP-KBXCAEBGSA-N 2 1 288.435 3.220 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422904563 535819947 /nfs/dbraw/zinc/81/99/47/535819947.db2.gz GYIAKBVZBJMRQN-IXDOHACOSA-N 2 1 295.515 3.137 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000125516407 535944493 /nfs/dbraw/zinc/94/44/93/535944493.db2.gz SRFHGWARXVPEEG-KRWDZBQOSA-N 2 1 295.430 3.132 20 0 CGADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000459730275 536890702 /nfs/dbraw/zinc/89/07/02/536890702.db2.gz KCZRTEXASJPFBO-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876876 572343913 /nfs/dbraw/zinc/34/39/13/572343913.db2.gz ANGAGAUUECAOIL-UNEWFSDZSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876876 572343918 /nfs/dbraw/zinc/34/39/18/572343918.db2.gz ANGAGAUUECAOIL-UNEWFSDZSA-N 2 1 276.399 3.351 20 0 CGADMP Clc1c[nH+]ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307036806 572348078 /nfs/dbraw/zinc/34/80/78/572348078.db2.gz ZEAZLXYINBCQOY-CQSZACIVSA-N 2 1 287.794 3.421 20 0 CGADMP Clc1c[nH+]ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000307036806 572348085 /nfs/dbraw/zinc/34/80/85/572348085.db2.gz ZEAZLXYINBCQOY-CQSZACIVSA-N 2 1 287.794 3.421 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166220718 572354867 /nfs/dbraw/zinc/35/48/67/572354867.db2.gz IKUDQHQKMFKBJC-QZTJIDSGSA-N 2 1 286.463 3.371 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000050245238 618083695 /nfs/dbraw/zinc/08/36/95/618083695.db2.gz OSDDXHLQZSNOCK-INIZCTEOSA-N 2 1 282.387 3.260 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CC2(CCCOC)CCC2)CC1 ZINC000891742934 618271874 /nfs/dbraw/zinc/27/18/74/618271874.db2.gz HIYJMQORVPGSAR-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000892120458 618542271 /nfs/dbraw/zinc/54/22/71/618542271.db2.gz LTEUCMULVASSCP-MRXNPFEDSA-N 2 1 278.827 3.429 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000934287499 618573820 /nfs/dbraw/zinc/57/38/20/618573820.db2.gz LWDHNECREQXWOS-MRXNPFEDSA-N 2 1 286.423 3.043 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cccc(C[NH+](C)C)c1 ZINC000926534171 618728401 /nfs/dbraw/zinc/72/84/01/618728401.db2.gz XMHHUZDGJUNXHG-ZQIUZPCESA-N 2 1 298.434 3.301 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738914 618854485 /nfs/dbraw/zinc/85/44/85/618854485.db2.gz NFMIXFTZDBLIIF-WBMJQRKESA-N 2 1 291.439 3.064 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926738914 618854487 /nfs/dbraw/zinc/85/44/87/618854487.db2.gz NFMIXFTZDBLIIF-WBMJQRKESA-N 2 1 291.439 3.064 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000893323842 619094922 /nfs/dbraw/zinc/09/49/22/619094922.db2.gz LLQNNLPSYUGQKR-UHFFFAOYSA-N 2 1 292.471 3.045 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000925779722 619242406 /nfs/dbraw/zinc/24/24/06/619242406.db2.gz PDQZJTOETWJYTL-CMPLNLGQSA-N 2 1 288.769 3.235 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094371409 619244887 /nfs/dbraw/zinc/24/48/87/619244887.db2.gz AQGZZNIVDOYINU-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094370514 619244926 /nfs/dbraw/zinc/24/49/26/619244926.db2.gz WXMQSEGDJCAYGJ-BRWVUGGUSA-N 2 1 292.467 3.085 20 0 CGADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094370514 619244927 /nfs/dbraw/zinc/24/49/27/619244927.db2.gz WXMQSEGDJCAYGJ-BRWVUGGUSA-N 2 1 292.467 3.085 20 0 CGADMP Cc1cnc(Cl)c(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000893858253 619323029 /nfs/dbraw/zinc/32/30/29/619323029.db2.gz RQDXYRMNAMGNSQ-UHFFFAOYSA-N 2 1 293.842 3.104 20 0 CGADMP Cc1cnc(Cl)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000893858253 619323030 /nfs/dbraw/zinc/32/30/30/619323030.db2.gz RQDXYRMNAMGNSQ-UHFFFAOYSA-N 2 1 293.842 3.104 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000894476293 619548576 /nfs/dbraw/zinc/54/85/76/619548576.db2.gz OYEDZTVCGJQRKP-AWEZNQCLSA-N 2 1 299.418 3.037 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000894476293 619548581 /nfs/dbraw/zinc/54/85/81/619548581.db2.gz OYEDZTVCGJQRKP-AWEZNQCLSA-N 2 1 299.418 3.037 20 0 CGADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC000880131509 619551225 /nfs/dbraw/zinc/55/12/25/619551225.db2.gz BYKYDPIVCLGNCZ-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)[C@H]1[N@@H+](CC2CC[NH+](C)CC2)CC12CC=CC2 ZINC000895123988 619741399 /nfs/dbraw/zinc/74/13/99/619741399.db2.gz XCYKSWPQWURYJG-MRXNPFEDSA-N 2 1 262.441 3.005 20 0 CGADMP c1ccc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc2c1 ZINC000262146698 619744112 /nfs/dbraw/zinc/74/41/12/619744112.db2.gz ZPCBCVMZIVIPIT-UHFFFAOYSA-N 2 1 280.415 3.415 20 0 CGADMP CC(C)C[C@H](C)C[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896724638 620049995 /nfs/dbraw/zinc/04/99/95/620049995.db2.gz WMAHHKODTTYEQK-DOTOQJQBSA-N 2 1 277.456 3.346 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000872080005 620276884 /nfs/dbraw/zinc/27/68/84/620276884.db2.gz RNZPOWCNWPHVTC-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CCCO)[NH+]1CCCC1 ZINC000924630904 620549152 /nfs/dbraw/zinc/54/91/52/620549152.db2.gz JNKHFMBTPUHJIF-KURKYZTESA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000924650973 620556306 /nfs/dbraw/zinc/55/63/06/620556306.db2.gz OEGYBGNBZKFLOR-YESZJQIVSA-N 2 1 296.499 3.004 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000902404112 621308111 /nfs/dbraw/zinc/30/81/11/621308111.db2.gz CDKCLBOSYZCLDM-LBPRGKRZSA-N 2 1 288.313 3.117 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467623 621339744 /nfs/dbraw/zinc/33/97/44/621339744.db2.gz PUEJXSWZKAASND-APVVIDPYSA-N 2 1 278.827 3.315 20 0 CGADMP C1CC1([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000902725949 621413012 /nfs/dbraw/zinc/41/30/12/621413012.db2.gz GGXGHNUHIPAOTE-JKSUJKDBSA-N 2 1 262.441 3.316 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000903059932 621548980 /nfs/dbraw/zinc/54/89/80/621548980.db2.gz XQFJPTKVXVSQLW-RCCFBDPRSA-N 2 1 294.483 3.046 20 0 CGADMP C([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000903060085 621549727 /nfs/dbraw/zinc/54/97/27/621549727.db2.gz ZVCDYTARHBEBJM-FJIDUMEYSA-N 2 1 276.468 3.277 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903081533 621562138 /nfs/dbraw/zinc/56/21/38/621562138.db2.gz VAJPEHNKEYXCEV-AZGATIOISA-N 2 1 262.441 3.313 20 0 CGADMP c1ccc2c(c1)C[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903091220 621567141 /nfs/dbraw/zinc/56/71/41/621567141.db2.gz PKVOIUSDDMTJII-DUZACMNTSA-N 2 1 282.431 3.074 20 0 CGADMP CS[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903103338 621575595 /nfs/dbraw/zinc/57/55/95/621575595.db2.gz HBMBLOXAYGGRSQ-GJIXHBHRSA-N 2 1 280.481 3.018 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCC1 ZINC000903097154 621586160 /nfs/dbraw/zinc/58/61/60/621586160.db2.gz PQQBLNLCBFXASD-JATKITJMSA-N 2 1 262.441 3.313 20 0 CGADMP CC(C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903126462 621590931 /nfs/dbraw/zinc/59/09/31/621590931.db2.gz CAVKPUNAKYEASE-WYQXTGKHSA-N 2 1 250.430 3.168 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCCS1 ZINC000903146760 621599283 /nfs/dbraw/zinc/59/92/83/621599283.db2.gz AZJADNLHPPDYFK-YPAMNDHTSA-N 2 1 280.481 3.020 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]23C[C@@H]2CCCC3)CC1(C)C ZINC000903162167 621607586 /nfs/dbraw/zinc/60/75/86/621607586.db2.gz ZISREJPMCGKAAB-OFQRWUPVSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903166278 621610719 /nfs/dbraw/zinc/61/07/19/621610719.db2.gz AVOFWAVCGZCSFD-VUZHLFFPSA-N 2 1 262.441 3.170 20 0 CGADMP FC1(F)CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178921 621614972 /nfs/dbraw/zinc/61/49/72/621614972.db2.gz JZWZIEQBRXGACU-YPRXJGMQSA-N 2 1 284.394 3.169 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ncccc3c2)[C@H](C)C1 ZINC000903195684 621622067 /nfs/dbraw/zinc/62/20/67/621622067.db2.gz YMLZYSMQVJPECR-CRAIPNDOSA-N 2 1 297.446 3.097 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCS1 ZINC000903228546 621637704 /nfs/dbraw/zinc/63/77/04/621637704.db2.gz VKHQYRAKABNCBM-WYIYSYCWSA-N 2 1 280.481 3.018 20 0 CGADMP c1cc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)ccn1 ZINC000903427675 621742572 /nfs/dbraw/zinc/74/25/72/621742572.db2.gz IMUUUUFKXQNZCJ-DQXYTYHJSA-N 2 1 297.446 3.280 20 0 CGADMP Cc1ccc(C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C(C)C)s1 ZINC000903433043 621744178 /nfs/dbraw/zinc/74/41/78/621744178.db2.gz RWTLXLYJOJIJLF-KGLIPLIRSA-N 2 1 266.454 3.394 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2ccc(F)cc2F)C2CC2)C1 ZINC000903430997 621744650 /nfs/dbraw/zinc/74/46/50/621744650.db2.gz CEPXYKVNQQNJRJ-SMDDNHRTSA-N 2 1 280.362 3.057 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903434902 621745041 /nfs/dbraw/zinc/74/50/41/621745041.db2.gz MLTNVMZJCGOQRK-SQNIBIBYSA-N 2 1 272.436 3.129 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)C1 ZINC000903441532 621749706 /nfs/dbraw/zinc/74/97/06/621749706.db2.gz WOXADSGMIAAZSW-WMLDXEAASA-N 2 1 296.414 3.432 20 0 CGADMP c1cc2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2[nH]1 ZINC000903424707 621750854 /nfs/dbraw/zinc/75/08/54/621750854.db2.gz CPQQAWUCIIXQCU-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903424935 621751637 /nfs/dbraw/zinc/75/16/37/621751637.db2.gz MISJQDWPFSSYRA-LCGIIJARSA-N 2 1 294.389 3.095 20 0 CGADMP CCSc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000903455537 621762262 /nfs/dbraw/zinc/76/22/62/621762262.db2.gz ZCLGPQSABSZHTG-OAHLLOKOSA-N 2 1 278.465 3.276 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903455300 621762626 /nfs/dbraw/zinc/76/26/26/621762626.db2.gz SNPUIKONHJEOLT-CCECPURYSA-N 2 1 294.389 3.011 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)s1 ZINC000903811844 621814167 /nfs/dbraw/zinc/81/41/67/621814167.db2.gz OOJOBJOGMBRLBH-HNNXBMFYSA-N 2 1 293.480 3.243 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000903841900 621819208 /nfs/dbraw/zinc/81/92/08/621819208.db2.gz HZFJFCCMSDYQMT-BUWBCJGYSA-N 2 1 276.811 3.139 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903896603 621829194 /nfs/dbraw/zinc/82/91/94/621829194.db2.gz VXHMBLDVVBWFOT-MGPQQGTHSA-N 2 1 282.378 3.155 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903896603 621829196 /nfs/dbraw/zinc/82/91/96/621829196.db2.gz VXHMBLDVVBWFOT-MGPQQGTHSA-N 2 1 282.378 3.155 20 0 CGADMP C[C@H]1CC[C@@]2(CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC000903902150 621830457 /nfs/dbraw/zinc/83/04/57/621830457.db2.gz DEPQUAXLGZPQST-UCHQMPSGSA-N 2 1 262.441 3.029 20 0 CGADMP C[N@H+](Cc1cc(F)c(F)c(F)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903903851 621831382 /nfs/dbraw/zinc/83/13/82/621831382.db2.gz XLYMCYPCYOIMKI-VGPLMAKISA-N 2 1 298.352 3.066 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929645 621834038 /nfs/dbraw/zinc/83/40/38/621834038.db2.gz IJWQPKVGHYUCOS-PNFOFYCQSA-N 2 1 290.426 3.219 20 0 CGADMP CC(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955300 621843120 /nfs/dbraw/zinc/84/31/20/621843120.db2.gz ORGHTZMEKZTZES-HNNXBMFYSA-N 2 1 282.378 3.144 20 0 CGADMP CCSc1cccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903978709 621844736 /nfs/dbraw/zinc/84/47/36/621844736.db2.gz USVNTTLNPPUUFT-UKRRQHHQSA-N 2 1 278.465 3.215 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000904307873 621902550 /nfs/dbraw/zinc/90/25/50/621902550.db2.gz YCDZBPGQZYQCHY-XBXGTLAGSA-N 2 1 264.800 3.042 20 0 CGADMP CC[N@@H+](CCc1cccs1)C[C@]1(C)CCC[NH2+]C1 ZINC000904309343 621902859 /nfs/dbraw/zinc/90/28/59/621902859.db2.gz IEOALCVRXZRKAD-OAHLLOKOSA-N 2 1 266.454 3.002 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2CCCc2ccccc2)C1 ZINC000904325220 621907964 /nfs/dbraw/zinc/90/79/64/621907964.db2.gz SYLFKHRZJICNRO-KSZLIROESA-N 2 1 272.436 3.211 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)C1 ZINC000904342116 621909773 /nfs/dbraw/zinc/90/97/73/621909773.db2.gz XTJAUJVFAFZQDU-MAZHCROVSA-N 2 1 262.372 3.090 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000904345846 621910421 /nfs/dbraw/zinc/91/04/21/621910421.db2.gz KACIYEHBFFUWBG-HZPDHXFCSA-N 2 1 282.472 3.031 20 0 CGADMP CC[C@H](C[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904346648 621910604 /nfs/dbraw/zinc/91/06/04/621910604.db2.gz XMFPCWLBCSHEBF-INMHGKMJSA-N 2 1 260.425 3.239 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)C1 ZINC000904345680 621910612 /nfs/dbraw/zinc/91/06/12/621910612.db2.gz INQWJFWKDHGPTO-RSRPTUBKSA-N 2 1 284.447 3.382 20 0 CGADMP COc1ccc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000904372329 621913903 /nfs/dbraw/zinc/91/39/03/621913903.db2.gz BFWWLTNEXVXORZ-INIZCTEOSA-N 2 1 296.842 3.170 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000904372329 621913906 /nfs/dbraw/zinc/91/39/06/621913906.db2.gz BFWWLTNEXVXORZ-INIZCTEOSA-N 2 1 296.842 3.170 20 0 CGADMP [NH3+]C1CC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000906510488 622241403 /nfs/dbraw/zinc/24/14/03/622241403.db2.gz KCROVEKSASNFOW-UHFFFAOYSA-N 2 1 299.399 3.136 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000906508636 622241610 /nfs/dbraw/zinc/24/16/10/622241610.db2.gz SDDYADKKVJYNEY-HAQNSBGRSA-N 2 1 292.329 3.021 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC3(CCCC3)C1)C[NH2+]CC2 ZINC000312582383 623539337 /nfs/dbraw/zinc/53/93/37/623539337.db2.gz UBGNAXALZOPQOP-UHFFFAOYSA-N 2 1 270.420 3.098 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000921617258 625699374 /nfs/dbraw/zinc/69/93/74/625699374.db2.gz CADJOBFMZPSMQE-HNNXBMFYSA-N 2 1 299.418 3.304 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154772537 624364625 /nfs/dbraw/zinc/36/46/25/624364625.db2.gz QPCTWUIAGRWYDG-LBPRGKRZSA-N 2 1 282.378 3.299 20 0 CGADMP C[N@@H+](Cc1cc(F)ccc1Cl)C1CCC([NH3+])CC1 ZINC000124543700 634388062 /nfs/dbraw/zinc/38/80/62/634388062.db2.gz KNVXKODOZYIZFD-UHFFFAOYSA-N 2 1 270.779 3.181 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925481733 624523761 /nfs/dbraw/zinc/52/37/61/624523761.db2.gz KCHVRPDYVCJOGU-SJORKVTESA-N 2 1 270.420 3.320 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000921774313 625872065 /nfs/dbraw/zinc/87/20/65/625872065.db2.gz DHIIDSNBHKYLDT-LSDHHAIUSA-N 2 1 281.469 3.236 20 0 CGADMP C[N@H+](CCC[NH2+]C1CC1)Cc1cc2ccccc2o1 ZINC000923316841 626145030 /nfs/dbraw/zinc/14/50/30/626145030.db2.gz NVYIHICXBIFXRA-UHFFFAOYSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CC1)Cc1cc2ccccc2o1 ZINC000923316841 626145033 /nfs/dbraw/zinc/14/50/33/626145033.db2.gz NVYIHICXBIFXRA-UHFFFAOYSA-N 2 1 258.365 3.007 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000923483907 626156999 /nfs/dbraw/zinc/15/69/99/626156999.db2.gz SCEUEGKLJAGQPK-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491763 626158030 /nfs/dbraw/zinc/15/80/30/626158030.db2.gz UBUMESMNPQAWRR-GJZGRUSLSA-N 2 1 289.467 3.184 20 0 CGADMP CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923524927 626161085 /nfs/dbraw/zinc/16/10/85/626161085.db2.gz AXLMZYQZVFADFZ-NVXWUHKLSA-N 2 1 272.436 3.254 20 0 CGADMP C(=C/[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1)\c1ccccc1 ZINC000923525020 626161145 /nfs/dbraw/zinc/16/11/45/626161145.db2.gz CKVBRQDCSVYROT-XDIYQJDNSA-N 2 1 270.420 3.164 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000765773879 627269745 /nfs/dbraw/zinc/26/97/45/627269745.db2.gz ANIRMRXODHRLFR-QZTJIDSGSA-N 3 1 295.515 3.105 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CCN1C ZINC000765773879 627269747 /nfs/dbraw/zinc/26/97/47/627269747.db2.gz ANIRMRXODHRLFR-QZTJIDSGSA-N 2 1 295.515 3.105 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000771370807 627704300 /nfs/dbraw/zinc/70/43/00/627704300.db2.gz OPPWQRZFMBXBRS-GFCCVEGCSA-N 2 1 281.831 3.260 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccccn1)C(C)C ZINC000776005563 628157550 /nfs/dbraw/zinc/15/75/50/628157550.db2.gz AETRZBLUOAHUCW-YOEHRIQHSA-N 2 1 286.423 3.210 20 0 CGADMP C[NH+]1CCC(C[NH2+][C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000779438220 628413396 /nfs/dbraw/zinc/41/33/96/628413396.db2.gz KWJLWWIRMKZUDA-INIZCTEOSA-N 2 1 296.405 3.184 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299371 628480410 /nfs/dbraw/zinc/48/04/10/628480410.db2.gz RVWVTTWEZHDNMA-LMMKCTJWSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299371 628480414 /nfs/dbraw/zinc/48/04/14/628480414.db2.gz RVWVTTWEZHDNMA-LMMKCTJWSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299371 628480417 /nfs/dbraw/zinc/48/04/17/628480417.db2.gz RVWVTTWEZHDNMA-LMMKCTJWSA-N 2 1 284.447 3.133 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000781885809 628602174 /nfs/dbraw/zinc/60/21/74/628602174.db2.gz WGQMMAGGPCDVAU-INIZCTEOSA-N 2 1 272.436 3.482 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000781885809 628602177 /nfs/dbraw/zinc/60/21/77/628602177.db2.gz WGQMMAGGPCDVAU-INIZCTEOSA-N 2 1 272.436 3.482 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCSC2)C1 ZINC000783569544 628727176 /nfs/dbraw/zinc/72/71/76/628727176.db2.gz UQACWLRCNRFJFR-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCSC2)C1 ZINC000783569544 628727179 /nfs/dbraw/zinc/72/71/79/628727179.db2.gz UQACWLRCNRFJFR-GJZGRUSLSA-N 2 1 284.513 3.372 20 0 CGADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000788469004 629056937 /nfs/dbraw/zinc/05/69/37/629056937.db2.gz DKAQJLAASJICML-UHFFFAOYSA-N 2 1 276.399 3.132 20 0 CGADMP COc1ccccc1C[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000788478900 629057206 /nfs/dbraw/zinc/05/72/06/629057206.db2.gz KVMODPWCLPDUGG-UHFFFAOYSA-N 2 1 288.435 3.001 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544366 629603535 /nfs/dbraw/zinc/60/35/35/629603535.db2.gz RQGQCDBDTANHNU-GOSISDBHSA-N 2 1 287.451 3.089 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544366 629603537 /nfs/dbraw/zinc/60/35/37/629603537.db2.gz RQGQCDBDTANHNU-GOSISDBHSA-N 2 1 287.451 3.089 20 0 CGADMP C[C@H]([NH3+])C[N@H+](C)CCCSc1ccccc1Cl ZINC000863567362 629606134 /nfs/dbraw/zinc/60/61/34/629606134.db2.gz BVVBKYPHSPLPRC-NSHDSACASA-N 2 1 272.845 3.101 20 0 CGADMP C[C@H]([NH3+])C[N@@H+](C)CCCSc1ccccc1Cl ZINC000863567362 629606143 /nfs/dbraw/zinc/60/61/43/629606143.db2.gz BVVBKYPHSPLPRC-NSHDSACASA-N 2 1 272.845 3.101 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000796704848 629817357 /nfs/dbraw/zinc/81/73/57/629817357.db2.gz CFTWOOHNGSOXRP-BVPBIZIASA-N 2 1 290.426 3.392 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000925493652 630075504 /nfs/dbraw/zinc/07/55/04/630075504.db2.gz YHRBFGNTLIIRTG-QANKJYHBSA-N 2 1 266.388 3.004 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777723 634791692 /nfs/dbraw/zinc/79/16/92/634791692.db2.gz VBGRHDIVNMUTJG-SJORKVTESA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777723 634791701 /nfs/dbraw/zinc/79/17/01/634791701.db2.gz VBGRHDIVNMUTJG-SJORKVTESA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777723 634791705 /nfs/dbraw/zinc/79/17/05/634791705.db2.gz VBGRHDIVNMUTJG-SJORKVTESA-N 2 1 290.451 3.036 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCc4ccccc43)C2)CC1 ZINC000799178039 630153334 /nfs/dbraw/zinc/15/33/34/630153334.db2.gz FHZPTGKWMIKCGT-SFHVURJKSA-N 2 1 284.447 3.482 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806133052 630546189 /nfs/dbraw/zinc/54/61/89/630546189.db2.gz FTCDDFGEAQGIPB-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806133052 630546193 /nfs/dbraw/zinc/54/61/93/630546193.db2.gz FTCDDFGEAQGIPB-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCSC(C)(C)C)CC[N@@H+]1C ZINC000878162115 635387919 /nfs/dbraw/zinc/38/79/19/635387919.db2.gz AWDFPZWJTIUSJC-KBPBESRZSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCSC(C)(C)C)CC[N@H+]1C ZINC000878162115 635387923 /nfs/dbraw/zinc/38/79/23/635387923.db2.gz AWDFPZWJTIUSJC-KBPBESRZSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCSC(C)(C)C)CC[NH+]1C ZINC000878162115 635387928 /nfs/dbraw/zinc/38/79/28/635387928.db2.gz AWDFPZWJTIUSJC-KBPBESRZSA-N 2 1 272.502 3.323 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCSC(C)(C)C)CC[NH+]1C ZINC000878162115 635387935 /nfs/dbraw/zinc/38/79/35/635387935.db2.gz AWDFPZWJTIUSJC-KBPBESRZSA-N 2 1 272.502 3.323 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000808694558 630665997 /nfs/dbraw/zinc/66/59/97/630665997.db2.gz DTFKQFAYXMNLRB-LZLYRXPVSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)C(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000808728734 630671961 /nfs/dbraw/zinc/67/19/61/630671961.db2.gz UUNFGNURCYMHGB-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000808728734 630671964 /nfs/dbraw/zinc/67/19/64/630671964.db2.gz UUNFGNURCYMHGB-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000808728734 630671967 /nfs/dbraw/zinc/67/19/67/630671967.db2.gz UUNFGNURCYMHGB-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000808728734 630671969 /nfs/dbraw/zinc/67/19/69/630671969.db2.gz UUNFGNURCYMHGB-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@@H+](CCNc1cc[nH+]c2c(O)cccc12)C(C)C ZINC000811799119 631120364 /nfs/dbraw/zinc/12/03/64/631120364.db2.gz QWCNXDSLVOAOFX-UHFFFAOYSA-N 2 1 273.380 3.083 20 0 CGADMP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC000816648550 632035870 /nfs/dbraw/zinc/03/58/70/632035870.db2.gz MAQGKZURLWNCMY-HOTGVXAUSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC000816648550 632035872 /nfs/dbraw/zinc/03/58/72/632035872.db2.gz MAQGKZURLWNCMY-HOTGVXAUSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000816648550 632035877 /nfs/dbraw/zinc/03/58/77/632035877.db2.gz MAQGKZURLWNCMY-HOTGVXAUSA-N 2 1 274.452 3.485 20 0 CGADMP C[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000816648550 632035882 /nfs/dbraw/zinc/03/58/82/632035882.db2.gz MAQGKZURLWNCMY-HOTGVXAUSA-N 2 1 274.452 3.485 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817897576 632231931 /nfs/dbraw/zinc/23/19/31/632231931.db2.gz SDDOJNFKHXAQMO-XOKHGSTOSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@](O)(CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000817924764 632234647 /nfs/dbraw/zinc/23/46/47/632234647.db2.gz XFPXJEBRWJYSCZ-FHWLQOOXSA-N 2 1 296.414 3.019 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000817938286 632239340 /nfs/dbraw/zinc/23/93/40/632239340.db2.gz IHVYIBVDMVBPCV-AWEZNQCLSA-N 2 1 276.424 3.398 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000817979927 632270410 /nfs/dbraw/zinc/27/04/10/632270410.db2.gz QDJNARIWIJFYGW-MWLCHTKSSA-N 2 1 274.380 3.389 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1 ZINC000817982282 632273258 /nfs/dbraw/zinc/27/32/58/632273258.db2.gz QSWHVPUYPWJPJG-SVGFKBNWSA-N 2 1 264.457 3.452 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cncc3ccccc31)CC[NH2+]CC2 ZINC000818431502 632318208 /nfs/dbraw/zinc/31/82/08/632318208.db2.gz OQXKGKLWORLDEN-HNNXBMFYSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000866233649 633038162 /nfs/dbraw/zinc/03/81/62/633038162.db2.gz XSIILSQVZHQAFR-IKGGRYGDSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000866233649 633038170 /nfs/dbraw/zinc/03/81/70/633038170.db2.gz XSIILSQVZHQAFR-IKGGRYGDSA-N 2 1 289.467 3.113 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000866239858 633040050 /nfs/dbraw/zinc/04/00/50/633040050.db2.gz VUGOPHAVFZGDMS-KRWDZBQOSA-N 2 1 287.382 3.388 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000866261859 633049818 /nfs/dbraw/zinc/04/98/18/633049818.db2.gz XTAWEBOAVGNAFB-FUHWJXTLSA-N 2 1 289.467 3.489 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccn1 ZINC000866261859 633049821 /nfs/dbraw/zinc/04/98/21/633049821.db2.gz XTAWEBOAVGNAFB-FUHWJXTLSA-N 2 1 289.467 3.489 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000866367828 633104440 /nfs/dbraw/zinc/10/44/40/633104440.db2.gz PVDZBMQQLHGXSH-CCNLRDMRSA-N 2 1 272.436 3.141 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@H](c1ccccn1)C(C)C ZINC000866381204 633112669 /nfs/dbraw/zinc/11/26/69/633112669.db2.gz JLNWHGMKQZRPPG-KRWDZBQOSA-N 2 1 277.456 3.346 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000866381204 633112673 /nfs/dbraw/zinc/11/26/73/633112673.db2.gz JLNWHGMKQZRPPG-KRWDZBQOSA-N 2 1 277.456 3.346 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000866381204 633112675 /nfs/dbraw/zinc/11/26/75/633112675.db2.gz JLNWHGMKQZRPPG-KRWDZBQOSA-N 2 1 277.456 3.346 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000866397670 633122657 /nfs/dbraw/zinc/12/26/57/633122657.db2.gz IOTBOCDNQIUDFE-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000866397670 633122662 /nfs/dbraw/zinc/12/26/62/633122662.db2.gz IOTBOCDNQIUDFE-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP COC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000866561756 633192797 /nfs/dbraw/zinc/19/27/97/633192797.db2.gz KNQAPCLOBFDSPG-IIIMJFFVSA-N 2 1 294.483 3.331 20 0 CGADMP COC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000866561756 633192799 /nfs/dbraw/zinc/19/27/99/633192799.db2.gz KNQAPCLOBFDSPG-IIIMJFFVSA-N 2 1 294.483 3.331 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866584192 633204158 /nfs/dbraw/zinc/20/41/58/633204158.db2.gz NKAMVIPLOOHGCZ-ZMSDIMECSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584192 633204163 /nfs/dbraw/zinc/20/41/63/633204163.db2.gz NKAMVIPLOOHGCZ-ZMSDIMECSA-N 2 1 258.409 3.082 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584192 633204169 /nfs/dbraw/zinc/20/41/69/633204169.db2.gz NKAMVIPLOOHGCZ-ZMSDIMECSA-N 2 1 258.409 3.082 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000866667682 633229935 /nfs/dbraw/zinc/22/99/35/633229935.db2.gz VAFDYYZUOKEINF-MWDXBVQZSA-N 2 1 296.499 3.277 20 0 CGADMP Cc1cnccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000824383057 633239769 /nfs/dbraw/zinc/23/97/69/633239769.db2.gz JSPUFBAWXHCNFB-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP CCC(C)(C)CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202182 635935856 /nfs/dbraw/zinc/93/58/56/635935856.db2.gz ZRFITQMFERWYPL-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202182 635935861 /nfs/dbraw/zinc/93/58/61/635935861.db2.gz ZRFITQMFERWYPL-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)CC(C)C)CC1 ZINC000827799386 633518707 /nfs/dbraw/zinc/51/87/07/633518707.db2.gz QXGQCGUHJPMWNI-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000872016545 633936831 /nfs/dbraw/zinc/93/68/31/633936831.db2.gz LDGVIEKFQHMKHL-HOTGVXAUSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000872017396 633938517 /nfs/dbraw/zinc/93/85/17/633938517.db2.gz AVNRHSWYCDTQPW-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCOC3(CCCC3)C2)CCCCC1 ZINC000872019510 633939745 /nfs/dbraw/zinc/93/97/45/633939745.db2.gz ZCMRFTBNJIDXFA-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)CC ZINC000872036367 633955936 /nfs/dbraw/zinc/95/59/36/633955936.db2.gz UPCBVYKFQZYKPT-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000872092596 634017561 /nfs/dbraw/zinc/01/75/61/634017561.db2.gz QCBNFTPFRFUTLW-NVXWUHKLSA-N 2 1 294.483 3.331 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000872092596 634017567 /nfs/dbraw/zinc/01/75/67/634017567.db2.gz QCBNFTPFRFUTLW-NVXWUHKLSA-N 2 1 294.483 3.331 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279384 634099120 /nfs/dbraw/zinc/09/91/20/634099120.db2.gz DISONMWZSWAIKM-KRWDZBQOSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279384 634099130 /nfs/dbraw/zinc/09/91/30/634099130.db2.gz DISONMWZSWAIKM-KRWDZBQOSA-N 2 1 291.439 3.005 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278904 634099265 /nfs/dbraw/zinc/09/92/65/634099265.db2.gz BFFGDZRKMNCKCP-SFHVURJKSA-N 2 1 294.483 3.286 20 0 CGADMP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210593 634286684 /nfs/dbraw/zinc/28/66/84/634286684.db2.gz LHTDIFIEWBHQQB-GFCCVEGCSA-N 2 1 276.449 3.158 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000019843420 634288415 /nfs/dbraw/zinc/28/84/15/634288415.db2.gz DSNZFWFKIJWLNN-AWEZNQCLSA-N 2 1 254.377 3.011 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1F ZINC000873231904 634294683 /nfs/dbraw/zinc/29/46/83/634294683.db2.gz YJQYYYKZHWLQGK-UHFFFAOYSA-N 2 1 282.403 3.175 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1Cl ZINC000873244738 634298220 /nfs/dbraw/zinc/29/82/20/634298220.db2.gz JKIBKQZNAXKOKH-NWDGAFQWSA-N 2 1 281.831 3.164 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000873246745 634299402 /nfs/dbraw/zinc/29/94/02/634299402.db2.gz AIEMCGQIXNESQH-VXGBXAGGSA-N 2 1 280.378 3.475 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000876811976 634904397 /nfs/dbraw/zinc/90/43/97/634904397.db2.gz PCBHYHVYZHLCHJ-GDBMZVCRSA-N 2 1 296.524 3.467 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000876811976 634904401 /nfs/dbraw/zinc/90/44/01/634904401.db2.gz PCBHYHVYZHLCHJ-GDBMZVCRSA-N 2 1 296.524 3.467 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876811976 634904405 /nfs/dbraw/zinc/90/44/05/634904405.db2.gz PCBHYHVYZHLCHJ-GDBMZVCRSA-N 2 1 296.524 3.467 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876897135 634923957 /nfs/dbraw/zinc/92/39/57/634923957.db2.gz QAFNKVOYGDXFEU-NEPJUHHUSA-N 2 1 279.255 3.034 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC000876942908 634934070 /nfs/dbraw/zinc/93/40/70/634934070.db2.gz ILOXLVJTGYMWJW-OAGGEKHMSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841087702 635119814 /nfs/dbraw/zinc/11/98/14/635119814.db2.gz QYDAQOOGFXOLPT-LBPRGKRZSA-N 2 1 288.407 3.464 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841088964 635120020 /nfs/dbraw/zinc/12/00/20/635120020.db2.gz HBUXUHJSKRXALD-CQSZACIVSA-N 2 1 294.826 3.113 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000877742700 635180638 /nfs/dbraw/zinc/18/06/38/635180638.db2.gz QROVEUFGRHNFNK-HJWJTTGWSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000877742700 635180645 /nfs/dbraw/zinc/18/06/45/635180645.db2.gz QROVEUFGRHNFNK-HJWJTTGWSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000877742700 635180653 /nfs/dbraw/zinc/18/06/53/635180653.db2.gz QROVEUFGRHNFNK-HJWJTTGWSA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000877742700 635180658 /nfs/dbraw/zinc/18/06/58/635180658.db2.gz QROVEUFGRHNFNK-HJWJTTGWSA-N 2 1 262.441 3.005 20 0 CGADMP Cc1csc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000877767885 635194285 /nfs/dbraw/zinc/19/42/85/635194285.db2.gz XZHYHZNMCXAIDY-UHFFFAOYSA-N 2 1 295.496 3.251 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000878120320 635366172 /nfs/dbraw/zinc/36/61/72/635366172.db2.gz GUDBSSDXBOUCJS-IAGOWNOFSA-N 2 1 294.483 3.284 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCc2sccc2C1 ZINC000842471924 635376270 /nfs/dbraw/zinc/37/62/70/635376270.db2.gz HLOQZTFZVNSMNM-UHFFFAOYSA-N 2 1 266.454 3.406 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000842473050 635378456 /nfs/dbraw/zinc/37/84/56/635378456.db2.gz MWDTWWQNFCDQNC-UHFFFAOYSA-N 2 1 282.378 3.232 20 0 CGADMP COCC[C@@H]1CCCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842479137 635379566 /nfs/dbraw/zinc/37/95/66/635379566.db2.gz XIVUWSVJOBENDA-INIZCTEOSA-N 2 1 270.461 3.034 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000842476947 635379835 /nfs/dbraw/zinc/37/98/35/635379835.db2.gz XYLDIDWPTBHLMS-UHFFFAOYSA-N 2 1 264.388 3.093 20 0 CGADMP CCCCCCOc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000843048425 635549155 /nfs/dbraw/zinc/54/91/55/635549155.db2.gz SXEYVBRHDNQSRM-QGZVFWFLSA-N 2 1 290.451 3.426 20 0 CGADMP C[N@@H+](CCCCCOc1ccccc1)C1CCC([NH3+])CC1 ZINC000843054906 635551221 /nfs/dbraw/zinc/55/12/21/635551221.db2.gz MZMYBRSSQWQUKQ-UHFFFAOYSA-N 2 1 290.451 3.437 20 0 CGADMP Cc1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)oc1C ZINC000879702570 635839090 /nfs/dbraw/zinc/83/90/90/635839090.db2.gz QKHRSKNJIKVAPQ-UHFFFAOYSA-N 2 1 293.455 3.091 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCc2nc(Cl)ccc21 ZINC000846175938 636153653 /nfs/dbraw/zinc/15/36/53/636153653.db2.gz AMDRVDDEWAZQSL-AWEZNQCLSA-N 2 1 295.858 3.290 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000846175938 636153655 /nfs/dbraw/zinc/15/36/55/636153655.db2.gz AMDRVDDEWAZQSL-AWEZNQCLSA-N 2 1 295.858 3.290 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000846175938 636153657 /nfs/dbraw/zinc/15/36/57/636153657.db2.gz AMDRVDDEWAZQSL-AWEZNQCLSA-N 2 1 295.858 3.290 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000846217787 636161019 /nfs/dbraw/zinc/16/10/19/636161019.db2.gz BMSZSNIQQLBXRW-OWCLPIDISA-N 2 1 252.446 3.406 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000846219443 636161922 /nfs/dbraw/zinc/16/19/22/636161922.db2.gz QXEKUEYSKJGRFM-INIZCTEOSA-N 2 1 262.441 3.377 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](c2ccsc2)O1 ZINC000846219255 636162110 /nfs/dbraw/zinc/16/21/10/636162110.db2.gz MOXLIPIPFAOMLI-ZFWWWQNUSA-N 2 1 282.453 3.029 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000848885655 636673542 /nfs/dbraw/zinc/67/35/42/636673542.db2.gz VWUCJWCTPWAVTI-HNNXBMFYSA-N 2 1 260.425 3.194 20 0 CGADMP Cc1cccc(NC(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000849023766 636719152 /nfs/dbraw/zinc/71/91/52/636719152.db2.gz DRCRHIINEMNKIM-OAHLLOKOSA-N 2 1 288.439 3.052 20 0 CGADMP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC2(C)C)cc1C ZINC000849039465 636727771 /nfs/dbraw/zinc/72/77/71/636727771.db2.gz ZVXAMUMREJTBFS-UHFFFAOYSA-N 2 1 288.439 3.114 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883428585 636752468 /nfs/dbraw/zinc/75/24/68/636752468.db2.gz XWIXFKUKEOQETM-CHWSQXEVSA-N 2 1 260.372 3.015 20 0 CGADMP [NH3+][C@@H]1CCCCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883437844 636757167 /nfs/dbraw/zinc/75/71/67/636757167.db2.gz CJJLGKAMROHITN-CHWSQXEVSA-N 2 1 260.372 3.015 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000885926570 637314855 /nfs/dbraw/zinc/31/48/55/637314855.db2.gz FVGSHVWPOYQIGL-ZZXKWVIFSA-N 2 1 273.355 3.024 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000885969160 637337661 /nfs/dbraw/zinc/33/76/61/637337661.db2.gz LQNKEYSUUWGZME-YESZJQIVSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC000886033590 637377522 /nfs/dbraw/zinc/37/75/22/637377522.db2.gz XDQPXUALHOUSSK-DZUCGIPZSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC000886033590 637377527 /nfs/dbraw/zinc/37/75/27/637377527.db2.gz XDQPXUALHOUSSK-DZUCGIPZSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC000886033590 637377532 /nfs/dbraw/zinc/37/75/32/637377532.db2.gz XDQPXUALHOUSSK-DZUCGIPZSA-N 2 1 264.457 3.227 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCC3)CO2)C[C@@H]1C ZINC000886033546 637377575 /nfs/dbraw/zinc/37/75/75/637377575.db2.gz WSJDEHMXZSMCBN-YESZJQIVSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC3(CCC3)CO2)C[C@@H]1C ZINC000886033546 637377581 /nfs/dbraw/zinc/37/75/81/637377581.db2.gz WSJDEHMXZSMCBN-YESZJQIVSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC3(CCC3)CO2)C[C@@H]1C ZINC000886033546 637377587 /nfs/dbraw/zinc/37/75/87/637377587.db2.gz WSJDEHMXZSMCBN-YESZJQIVSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000886540863 637565957 /nfs/dbraw/zinc/56/59/57/637565957.db2.gz LXKOOVVPVFGOIB-YJBOKZPZSA-N 2 1 283.419 3.436 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000886540863 637565963 /nfs/dbraw/zinc/56/59/63/637565963.db2.gz LXKOOVVPVFGOIB-YJBOKZPZSA-N 2 1 283.419 3.436 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617285 637608517 /nfs/dbraw/zinc/60/85/17/637608517.db2.gz JLRICEFSTKXBPC-MJBXVCDLSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617285 637608524 /nfs/dbraw/zinc/60/85/24/637608524.db2.gz JLRICEFSTKXBPC-MJBXVCDLSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617285 637608533 /nfs/dbraw/zinc/60/85/33/637608533.db2.gz JLRICEFSTKXBPC-MJBXVCDLSA-N 2 1 290.373 3.135 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(C)nc3)CC2)[nH+]c1C ZINC000886659063 637637281 /nfs/dbraw/zinc/63/72/81/637637281.db2.gz BNQHDKZSFZKZEG-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP CCO[C@@H](C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)C1CC1 ZINC000886659359 637637865 /nfs/dbraw/zinc/63/78/65/637637865.db2.gz KVVXCLPMZSKSIT-INIZCTEOSA-N 2 1 291.439 3.021 20 0 CGADMP CO[C@@H](CC(C)C)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886661497 637638781 /nfs/dbraw/zinc/63/87/81/637638781.db2.gz VYTHTNUULKIBDD-INIZCTEOSA-N 2 1 293.455 3.267 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CC3CC(F)(F)C3)CC2)[nH+]c1C ZINC000886660802 637638793 /nfs/dbraw/zinc/63/87/93/637638793.db2.gz GIOYEQBZPLIKHZ-UHFFFAOYSA-N 2 1 283.366 3.251 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCOc3ccccc3)CC2)[nH+]c1C ZINC000886670396 637642292 /nfs/dbraw/zinc/64/22/92/637642292.db2.gz OBZORPUKJPRGAM-UHFFFAOYSA-N 2 1 299.418 3.285 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000852759430 637707953 /nfs/dbraw/zinc/70/79/53/637707953.db2.gz OFGZNJPQAWYKRW-KRWDZBQOSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000852759430 637707958 /nfs/dbraw/zinc/70/79/58/637707958.db2.gz OFGZNJPQAWYKRW-KRWDZBQOSA-N 2 1 294.414 3.108 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)[C@@H]1CCC[NH3+] ZINC000852760050 637708358 /nfs/dbraw/zinc/70/83/58/637708358.db2.gz UVNDULISLKRZER-RDTXWAMCSA-N 2 1 288.435 3.056 20 0 CGADMP Fc1cccc(F)c1[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000886860327 637716210 /nfs/dbraw/zinc/71/62/10/637716210.db2.gz ZXRHVOYJXBTNNX-KBPBESRZSA-N 2 1 294.389 3.144 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000853248411 637793391 /nfs/dbraw/zinc/79/33/91/637793391.db2.gz GACMFEJKBSRRMW-CZUORRHYSA-N 2 1 276.424 3.036 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000223191494 637851814 /nfs/dbraw/zinc/85/18/14/637851814.db2.gz ALEUAPMPYMEGNW-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000854222545 638025705 /nfs/dbraw/zinc/02/57/05/638025705.db2.gz ILRGMHXAHDIIBY-ZJPYXAASSA-N 2 1 272.436 3.156 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924570604 638364514 /nfs/dbraw/zinc/36/45/14/638364514.db2.gz QJXDBNGSVOAZOJ-AWEZNQCLSA-N 2 1 290.451 3.049 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)[NH+](C)C ZINC000924633208 638380880 /nfs/dbraw/zinc/38/08/80/638380880.db2.gz OOMUSECQERXAAM-QZTJIDSGSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H]1CC2(CC([NH2+]C[C@@H](C3CCCCC3)[NH+](C)C)C2)CO1 ZINC000924693748 638389317 /nfs/dbraw/zinc/38/93/17/638389317.db2.gz HVNNSAYDBJXLEK-VNCIIQTRSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000924694214 638389821 /nfs/dbraw/zinc/38/98/21/638389821.db2.gz KXHAIIXRKMMWHK-YJBOKZPZSA-N 2 1 289.467 3.113 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)cn1 ZINC000924723283 638394483 /nfs/dbraw/zinc/39/44/83/638394483.db2.gz KLHRSCLCAIHEJD-UAGQMJEPSA-N 2 1 294.402 3.020 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924766279 638401005 /nfs/dbraw/zinc/40/10/05/638401005.db2.gz PAJXNCJNHNBHPQ-RSIVFMTNSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924766279 638401009 /nfs/dbraw/zinc/40/10/09/638401009.db2.gz PAJXNCJNHNBHPQ-RSIVFMTNSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924964597 638432546 /nfs/dbraw/zinc/43/25/46/638432546.db2.gz RHIVMVYTWFIQQM-NALMEZQBSA-N 2 1 294.483 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924964597 638432553 /nfs/dbraw/zinc/43/25/53/638432553.db2.gz RHIVMVYTWFIQQM-NALMEZQBSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925022563 638438737 /nfs/dbraw/zinc/43/87/37/638438737.db2.gz HKCHAEDTWPOUPP-BBWFWOEESA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccns1 ZINC000925085474 638449069 /nfs/dbraw/zinc/44/90/69/638449069.db2.gz HRWUVCJVOUYTLT-AAEUAGOBSA-N 2 1 269.458 3.160 20 0 CGADMP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925479734 638508333 /nfs/dbraw/zinc/50/83/33/638508333.db2.gz RXMPWYHXGCMIIU-SDDRHHMPSA-N 2 1 267.442 3.008 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000925588273 638538815 /nfs/dbraw/zinc/53/88/15/638538815.db2.gz PHQKMJUMQHWKJV-KGLIPLIRSA-N 2 1 272.864 3.104 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000925778901 638610647 /nfs/dbraw/zinc/61/06/47/638610647.db2.gz UYPQIIXFYHODHP-NWDGAFQWSA-N 2 1 274.380 3.034 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C12CCC2 ZINC000925825763 638623180 /nfs/dbraw/zinc/62/31/80/638623180.db2.gz JOMYCIPDFJMROF-UAGQMJEPSA-N 2 1 298.430 3.292 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1OC ZINC000925826273 638623652 /nfs/dbraw/zinc/62/36/52/638623652.db2.gz GOVLWFSFBVIFJK-ZENOOKHLSA-N 2 1 294.414 3.263 20 0 CGADMP c1ccc2ncc(CC[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000925832380 638626141 /nfs/dbraw/zinc/62/61/41/638626141.db2.gz NZHIDFQEKAZXDX-SFHVURJKSA-N 2 1 295.430 3.042 20 0 CGADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000925834064 638627039 /nfs/dbraw/zinc/62/70/39/638627039.db2.gz VGCHFMRASKGDAK-RYUDHWBXSA-N 2 1 293.480 3.018 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858100069 638628015 /nfs/dbraw/zinc/62/80/15/638628015.db2.gz IUCZDPJEOCTKIZ-INIZCTEOSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858100069 638628016 /nfs/dbraw/zinc/62/80/16/638628016.db2.gz IUCZDPJEOCTKIZ-INIZCTEOSA-N 2 1 290.451 3.436 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccns1 ZINC000926119731 638713405 /nfs/dbraw/zinc/71/34/05/638713405.db2.gz PYKYJCZOIZTTQM-IHRRRGAJSA-N 2 1 293.480 3.447 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccns1 ZINC000926119731 638713411 /nfs/dbraw/zinc/71/34/11/638713411.db2.gz PYKYJCZOIZTTQM-IHRRRGAJSA-N 2 1 293.480 3.447 20 0 CGADMP CC[NH+](CC)[C@H](C)CN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926329937 638763322 /nfs/dbraw/zinc/76/33/22/638763322.db2.gz IFVKXOOCLJTBIX-CVEARBPZSA-N 2 1 291.483 3.129 20 0 CGADMP CCn1cc([C@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)cn1 ZINC000926544403 638783372 /nfs/dbraw/zinc/78/33/72/638783372.db2.gz ZWPRALKVMKKMTG-HNNXBMFYSA-N 2 1 292.471 3.064 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H](C1CC1)C(C)(C)C)C1CC1 ZINC000926561569 638785671 /nfs/dbraw/zinc/78/56/71/638785671.db2.gz ZELRSRMWJCXWSW-HNNXBMFYSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926701344 638800714 /nfs/dbraw/zinc/80/07/14/638800714.db2.gz HKCLSKZGAPEYLG-NVXWUHKLSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926701344 638800715 /nfs/dbraw/zinc/80/07/15/638800715.db2.gz HKCLSKZGAPEYLG-NVXWUHKLSA-N 2 1 287.451 3.009 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000926752605 638806871 /nfs/dbraw/zinc/80/68/71/638806871.db2.gz BPWDFIMJCPQYHJ-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000926752605 638806873 /nfs/dbraw/zinc/80/68/73/638806873.db2.gz BPWDFIMJCPQYHJ-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2cccc(F)c2)CC1 ZINC000929469348 638927211 /nfs/dbraw/zinc/92/72/11/638927211.db2.gz AVIWEHOVMZVLHR-UHFFFAOYSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H]1C[N@@H+](CCCC(C)(F)F)CCN1c1cc[nH+]cc1 ZINC000931684108 639187989 /nfs/dbraw/zinc/18/79/89/639187989.db2.gz OLAUTISJZTZHJC-ZDUSSCGKSA-N 2 1 283.366 3.028 20 0 CGADMP Cc1nnsc1[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704352 639192448 /nfs/dbraw/zinc/19/24/48/639192448.db2.gz VADNGSMBMNNQJW-AWEZNQCLSA-N 2 1 296.484 3.105 20 0 CGADMP Cc1nnsc1[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704352 639192453 /nfs/dbraw/zinc/19/24/53/639192453.db2.gz VADNGSMBMNNQJW-AWEZNQCLSA-N 2 1 296.484 3.105 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040623571 639895406 /nfs/dbraw/zinc/89/54/06/639895406.db2.gz XLSCRCYFNQUSCH-ZDUSSCGKSA-N 2 1 296.842 3.169 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040623571 639895408 /nfs/dbraw/zinc/89/54/08/639895408.db2.gz XLSCRCYFNQUSCH-ZDUSSCGKSA-N 2 1 296.842 3.169 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251596261 640829101 /nfs/dbraw/zinc/82/91/01/640829101.db2.gz YLKCDXYSGNYUGO-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP CC(C)[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415146561 640859913 /nfs/dbraw/zinc/85/99/13/640859913.db2.gz YZDZMQCHJFFUOO-MSOLQXFVSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415146561 640859917 /nfs/dbraw/zinc/85/99/17/640859917.db2.gz YZDZMQCHJFFUOO-MSOLQXFVSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)c1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)[nH+]c1 ZINC001155452750 805582786 /nfs/dbraw/zinc/58/27/86/805582786.db2.gz FWWLCXZQWHGCGX-HNNXBMFYSA-N 2 1 298.434 3.228 20 0 CGADMP Cc1ccc2c(C)cc(N3CC[C@](F)(C[NH3+])C3)[nH+]c2c1C ZINC001157816449 805877387 /nfs/dbraw/zinc/87/73/87/805877387.db2.gz IUOTYRBKVCOMAD-KRWDZBQOSA-N 2 1 287.382 3.037 20 0 CGADMP COc1ccc(C)[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158264385 805931428 /nfs/dbraw/zinc/93/14/28/805931428.db2.gz BGRKXBNSNUDPPY-GUYCJALGSA-N 2 1 291.439 3.354 20 0 CGADMP CCc1ccc(C)[nH+]c1Nc1cccc2c1CC[NH2+]C2 ZINC001159106745 806041471 /nfs/dbraw/zinc/04/14/71/806041471.db2.gz GMDTZJONMNNXKH-UHFFFAOYSA-N 2 1 267.376 3.342 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC001253094721 806164769 /nfs/dbraw/zinc/16/47/69/806164769.db2.gz HSVGZGRCWJCUCO-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cc(C)cc(C)c1 ZINC001253411635 806216854 /nfs/dbraw/zinc/21/68/54/806216854.db2.gz QXQFNORXDOZKKG-IRXDYDNUSA-N 2 1 292.467 3.093 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CCCOC2)CC1 ZINC001254371034 806387853 /nfs/dbraw/zinc/38/78/53/806387853.db2.gz AILXJRPPOAZVPP-BZSNNMDCSA-N 2 1 294.483 3.318 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC2(CC2)CC1 ZINC001254444588 806402076 /nfs/dbraw/zinc/40/20/76/806402076.db2.gz ZHJIFGJQAIXQSO-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC(C)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001161648504 806411642 /nfs/dbraw/zinc/41/16/42/806411642.db2.gz LKLDGOQSUCCYHR-HNNXBMFYSA-N 2 1 286.423 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001254482787 806412943 /nfs/dbraw/zinc/41/29/43/806412943.db2.gz MFUZGJYCRVWIEO-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001254482788 806413060 /nfs/dbraw/zinc/41/30/60/806413060.db2.gz MFUZGJYCRVWIEO-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001254491279 806415296 /nfs/dbraw/zinc/41/52/96/806415296.db2.gz SVTSZTGCYQKHAX-DOTOQJQBSA-N 2 1 262.441 3.315 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001254497301 806419156 /nfs/dbraw/zinc/41/91/56/806419156.db2.gz BFIVSCYLNGRODL-OTWHNJEPSA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001254497301 806419158 /nfs/dbraw/zinc/41/91/58/806419158.db2.gz BFIVSCYLNGRODL-OTWHNJEPSA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001254497301 806419161 /nfs/dbraw/zinc/41/91/61/806419161.db2.gz BFIVSCYLNGRODL-OTWHNJEPSA-N 2 1 286.463 3.281 20 0 CGADMP Cc1ccc2c(CC[NH3+])cn([C@@H]3CCC[N@H+](C)CC3)c2c1 ZINC001254500857 806421420 /nfs/dbraw/zinc/42/14/20/806421420.db2.gz MJQLDAPAQYBEPI-MRXNPFEDSA-N 2 1 285.435 3.108 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505922 806425470 /nfs/dbraw/zinc/42/54/70/806425470.db2.gz LXIAVQDUUJKWHL-HOCLYGCPSA-N 2 1 278.827 3.401 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254508600 806426778 /nfs/dbraw/zinc/42/67/78/806426778.db2.gz KKNPTJOCYXNGLQ-GOSISDBHSA-N 2 1 274.452 3.426 20 0 CGADMP COc1ccc(CC(C)(C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254510020 806430980 /nfs/dbraw/zinc/43/09/80/806430980.db2.gz LKDGPAUIYUWIJU-MRXNPFEDSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)Cc2ccccc2F)CC1 ZINC001254511554 806431221 /nfs/dbraw/zinc/43/12/21/806431221.db2.gz BRVOSFFCOOADFV-INIZCTEOSA-N 2 1 292.442 3.468 20 0 CGADMP COc1cccc(CC(C)(C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254512367 806432919 /nfs/dbraw/zinc/43/29/19/806432919.db2.gz MDLMMKZYLPZECV-INIZCTEOSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001254514367 806433984 /nfs/dbraw/zinc/43/39/84/806433984.db2.gz KUEQGKRXHXSCJN-ARFHVFGLSA-N 2 1 278.827 3.270 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)CC1 ZINC001254514659 806434032 /nfs/dbraw/zinc/43/40/32/806434032.db2.gz NNCWLGJPZQSVGU-AVGNSLFASA-N 2 1 278.362 3.181 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)Cc2ccccc21 ZINC001254516143 806436553 /nfs/dbraw/zinc/43/65/53/806436553.db2.gz IWSUNDKMWVMQGC-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)Cc2ccccc21 ZINC001254516143 806436556 /nfs/dbraw/zinc/43/65/56/806436556.db2.gz IWSUNDKMWVMQGC-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)Cc2ccccc21 ZINC001254516143 806436559 /nfs/dbraw/zinc/43/65/59/806436559.db2.gz IWSUNDKMWVMQGC-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP C[N@@H+](Cc1cccc2cccnc21)[C@H]1CCC[NH+](C)CC1 ZINC001254524006 806437973 /nfs/dbraw/zinc/43/79/73/806437973.db2.gz UNJUXOOTBABTBZ-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)[C@H]1CCC[N@H+](C)CC1 ZINC001254524006 806437976 /nfs/dbraw/zinc/43/79/76/806437976.db2.gz UNJUXOOTBABTBZ-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524006 806437978 /nfs/dbraw/zinc/43/79/78/806437978.db2.gz UNJUXOOTBABTBZ-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001254529674 806441782 /nfs/dbraw/zinc/44/17/82/806441782.db2.gz PABNIMWFNUFDAK-QGZVFWFLSA-N 2 1 288.435 3.056 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@H]1CCC[NH+](C)CC1 ZINC001254527415 806443768 /nfs/dbraw/zinc/44/37/68/806443768.db2.gz XZLAZVAKGMADJD-HNNXBMFYSA-N 2 1 264.388 3.132 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@H]1CCC[NH+](C)CC1 ZINC001254527415 806443773 /nfs/dbraw/zinc/44/37/73/806443773.db2.gz XZLAZVAKGMADJD-HNNXBMFYSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1ccccc1F)[C@H]1CCC[N@H+](C)CC1 ZINC001254527415 806443778 /nfs/dbraw/zinc/44/37/78/806443778.db2.gz XZLAZVAKGMADJD-HNNXBMFYSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1ccccc1F)[C@H]1CCC[N@@H+](C)CC1 ZINC001254527415 806443786 /nfs/dbraw/zinc/44/37/86/806443786.db2.gz XZLAZVAKGMADJD-HNNXBMFYSA-N 2 1 264.388 3.132 20 0 CGADMP Cc1cc[nH+]c2cc(N[C@H]3CCC[C@H]([NH3+])C3)ccc12 ZINC001162400102 806576464 /nfs/dbraw/zinc/57/64/64/806576464.db2.gz GCFIMCCOKOAJMS-STQMWFEESA-N 2 1 255.365 3.225 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001255307787 806603850 /nfs/dbraw/zinc/60/38/50/806603850.db2.gz GQPTULDNCFQXLV-GASCZTMLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255399700 806632122 /nfs/dbraw/zinc/63/21/22/806632122.db2.gz XVLSYRFURACHDP-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255399700 806632126 /nfs/dbraw/zinc/63/21/26/806632126.db2.gz XVLSYRFURACHDP-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399700 806632132 /nfs/dbraw/zinc/63/21/32/806632132.db2.gz XVLSYRFURACHDP-FUHWJXTLSA-N 2 1 272.436 3.383 20 0 CGADMP F[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403869 806635816 /nfs/dbraw/zinc/63/58/16/806635816.db2.gz QMSLGFCWLFESOA-ZWKOTPCHSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403869 806635819 /nfs/dbraw/zinc/63/58/19/806635819.db2.gz QMSLGFCWLFESOA-ZWKOTPCHSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403869 806635823 /nfs/dbraw/zinc/63/58/23/806635823.db2.gz QMSLGFCWLFESOA-ZWKOTPCHSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403869 806635829 /nfs/dbraw/zinc/63/58/29/806635829.db2.gz QMSLGFCWLFESOA-ZWKOTPCHSA-N 2 1 290.426 3.475 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680771 806704698 /nfs/dbraw/zinc/70/46/98/806704698.db2.gz JNHFHPPGNSZMNF-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H]1CCCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680771 806704705 /nfs/dbraw/zinc/70/47/05/806704705.db2.gz JNHFHPPGNSZMNF-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H]1CCCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680771 806704710 /nfs/dbraw/zinc/70/47/10/806704710.db2.gz JNHFHPPGNSZMNF-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H]1CCCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680771 806704717 /nfs/dbraw/zinc/70/47/17/806704717.db2.gz JNHFHPPGNSZMNF-LSVZVQIISA-N 2 1 250.430 3.266 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC001255722012 806720167 /nfs/dbraw/zinc/72/01/67/806720167.db2.gz VPZYJDMOWZKWSM-IHRRRGAJSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC001255722012 806720174 /nfs/dbraw/zinc/72/01/74/806720174.db2.gz VPZYJDMOWZKWSM-IHRRRGAJSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC001255722012 806720180 /nfs/dbraw/zinc/72/01/80/806720180.db2.gz VPZYJDMOWZKWSM-IHRRRGAJSA-N 2 1 290.373 3.135 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000300517431 799204861 /nfs/dbraw/zinc/20/48/61/799204861.db2.gz KKJOODYOWZSVCQ-SMDDNHRTSA-N 2 1 266.816 3.065 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC3CCC2CC3)CCCCC1 ZINC000382018215 799391037 /nfs/dbraw/zinc/39/10/37/799391037.db2.gz OSEJLUCJJXXLRH-GPANFISMSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC001255776202 806745918 /nfs/dbraw/zinc/74/59/18/806745918.db2.gz GQHJTUJGLQLAGE-ODIFPOPNSA-N 2 1 260.425 3.128 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000383950104 799410497 /nfs/dbraw/zinc/41/04/97/799410497.db2.gz ZTJMVVSIRWPUII-CYBMUJFWSA-N 2 1 286.341 3.266 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000383950104 799410500 /nfs/dbraw/zinc/41/05/00/799410500.db2.gz ZTJMVVSIRWPUII-CYBMUJFWSA-N 2 1 286.341 3.266 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc(C)c2F)CC1 ZINC000384445522 799415388 /nfs/dbraw/zinc/41/53/88/799415388.db2.gz HQTBICMGLDSBFO-UHFFFAOYSA-N 2 1 264.388 3.097 20 0 CGADMP C[C@H]([N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(C)CC1 ZINC000385499031 799426107 /nfs/dbraw/zinc/42/61/07/799426107.db2.gz ILQMWRANTPHCKN-AVOUXACISA-N 2 1 250.430 3.028 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c2ccccc12 ZINC000388463154 799454177 /nfs/dbraw/zinc/45/41/77/799454177.db2.gz HNNXOWZAARMRTN-GJZGRUSLSA-N 2 1 298.430 3.408 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000389043837 799460033 /nfs/dbraw/zinc/46/00/33/799460033.db2.gz OBSQEZJYBZPPKK-CYBMUJFWSA-N 2 1 268.351 3.185 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000399227614 799536544 /nfs/dbraw/zinc/53/65/44/799536544.db2.gz YTLBYEYVGDJTSG-AGIUHOORSA-N 2 1 291.266 3.034 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC001255831103 806761189 /nfs/dbraw/zinc/76/11/89/806761189.db2.gz IYFDRQTZZRSAHX-HNNXBMFYSA-N 2 1 280.431 3.468 20 0 CGADMP c1cc2c(s1)CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000688048239 799744798 /nfs/dbraw/zinc/74/47/98/799744798.db2.gz KQGRJZGDCWLRIB-UHFFFAOYSA-N 2 1 290.457 3.014 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000688809908 799756129 /nfs/dbraw/zinc/75/61/29/799756129.db2.gz SLSKZGIHBBYGCZ-OLZOCXBDSA-N 2 1 260.372 3.014 20 0 CGADMP Clc1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000692941447 799804456 /nfs/dbraw/zinc/80/44/56/799804456.db2.gz SZXWHMSLISBAPV-GFCCVEGCSA-N 2 1 299.871 3.008 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC000693928111 799817461 /nfs/dbraw/zinc/81/74/61/799817461.db2.gz ZMTWUUXZKMCNPD-GDBMZVCRSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700817569 799879420 /nfs/dbraw/zinc/87/94/20/799879420.db2.gz VQXWWLJRLUUMJN-GDBMZVCRSA-N 2 1 278.415 3.078 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCCc2ncccc21 ZINC001255947651 806793014 /nfs/dbraw/zinc/79/30/14/806793014.db2.gz ULEMDALSAFIMDO-PBHICJAKSA-N 2 1 275.440 3.169 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1 ZINC001255947839 806793466 /nfs/dbraw/zinc/79/34/66/806793466.db2.gz XHEIGSNABWLLCP-XJKSGUPXSA-N 2 1 298.858 3.083 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC000708858967 799997464 /nfs/dbraw/zinc/99/74/64/799997464.db2.gz SCICBDPLBITHJG-DZGCQCFKSA-N 2 1 260.425 3.011 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC000709444276 800008560 /nfs/dbraw/zinc/00/85/60/800008560.db2.gz BPTUCAMTYQYZLH-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(F)cc(OC)c1 ZINC001255951170 806795733 /nfs/dbraw/zinc/79/57/33/806795733.db2.gz NMGVZZYMXUTECT-ZDUSSCGKSA-N 2 1 282.403 3.044 20 0 CGADMP CC[NH+](CC)CC[C@H](C)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001255952728 806797374 /nfs/dbraw/zinc/79/73/74/806797374.db2.gz HIGNBIAPJYUBBZ-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCCCCC[NH3+] ZINC000710831234 800040097 /nfs/dbraw/zinc/04/00/97/800040097.db2.gz VKNAKRPHBXBZNK-LBPRGKRZSA-N 2 1 270.367 3.477 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+](C)CCCCCC[NH3+] ZINC000710828192 800040218 /nfs/dbraw/zinc/04/02/18/800040218.db2.gz HBUMMYYVRMHJRJ-GFCCVEGCSA-N 2 1 270.367 3.477 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC(F)(F)CC1 ZINC001255956074 806798156 /nfs/dbraw/zinc/79/81/56/806798156.db2.gz GQXNGXGHTDUCLN-CYBMUJFWSA-N 2 1 262.388 3.228 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](CC)Cc1ccncc1 ZINC001255954902 806798766 /nfs/dbraw/zinc/79/87/66/806798766.db2.gz KLBZHKXVSUNCAX-HNNXBMFYSA-N 2 1 263.429 3.024 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC)Cc1ccncc1 ZINC001255954902 806798769 /nfs/dbraw/zinc/79/87/69/806798769.db2.gz KLBZHKXVSUNCAX-HNNXBMFYSA-N 2 1 263.429 3.024 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001255958549 806799445 /nfs/dbraw/zinc/79/94/45/806799445.db2.gz CQVBBKRSZIZYKI-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001255958549 806799447 /nfs/dbraw/zinc/79/94/47/806799447.db2.gz CQVBBKRSZIZYKI-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001255958548 806799482 /nfs/dbraw/zinc/79/94/82/806799482.db2.gz CQVBBKRSZIZYKI-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001255958548 806799485 /nfs/dbraw/zinc/79/94/85/806799485.db2.gz CQVBBKRSZIZYKI-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)CCOc1ccccc1 ZINC001255961461 806799514 /nfs/dbraw/zinc/79/95/14/806799514.db2.gz MYLKWEVLZJOBTD-INIZCTEOSA-N 2 1 278.440 3.118 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCOc1ccccc1 ZINC001255961461 806799517 /nfs/dbraw/zinc/79/95/17/806799517.db2.gz MYLKWEVLZJOBTD-INIZCTEOSA-N 2 1 278.440 3.118 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001255961494 806801085 /nfs/dbraw/zinc/80/10/85/806801085.db2.gz NITYICMVRUDRFX-AEFFLSMTSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001255961494 806801093 /nfs/dbraw/zinc/80/10/93/806801093.db2.gz NITYICMVRUDRFX-AEFFLSMTSA-N 2 1 290.451 3.260 20 0 CGADMP CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716711541 800178362 /nfs/dbraw/zinc/17/83/62/800178362.db2.gz IFOZHAVJQNLKEZ-KSZLIROESA-N 2 1 272.436 3.285 20 0 CGADMP Clc1cccc([C@H]2C[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256069143 806809842 /nfs/dbraw/zinc/80/98/42/806809842.db2.gz SAEXEQZXZNHHOS-SJORKVTESA-N 2 1 290.838 3.412 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717566192 800204343 /nfs/dbraw/zinc/20/43/43/800204343.db2.gz XLZGZQYTFQMUGY-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717566192 800204348 /nfs/dbraw/zinc/20/43/48/800204348.db2.gz XLZGZQYTFQMUGY-KBXIAJHMSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CCC23CC[NH2+]CC3)cc1 ZINC000718730458 800220806 /nfs/dbraw/zinc/22/08/06/800220806.db2.gz OWEGRPORXMYCNS-UHFFFAOYSA-N 2 1 272.436 3.312 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC000718730458 800220808 /nfs/dbraw/zinc/22/08/08/800220808.db2.gz OWEGRPORXMYCNS-UHFFFAOYSA-N 2 1 272.436 3.312 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1(C)CCCC1 ZINC000720366418 800257119 /nfs/dbraw/zinc/25/71/19/800257119.db2.gz LZLFBGLOFCWGGJ-UHFFFAOYSA-N 2 1 264.438 3.158 20 0 CGADMP C[N@@H+](CC1CCCCC1)C1CCN(C2CC2)CC1 ZINC001256081226 806816882 /nfs/dbraw/zinc/81/68/82/806816882.db2.gz UUWGFEHNSHMGOG-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+](CC1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC001256081226 806816889 /nfs/dbraw/zinc/81/68/89/806816889.db2.gz UUWGFEHNSHMGOG-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@@H+](CC1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC001256081226 806816896 /nfs/dbraw/zinc/81/68/96/806816896.db2.gz UUWGFEHNSHMGOG-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C1CCCC1 ZINC000721617095 800296909 /nfs/dbraw/zinc/29/69/09/800296909.db2.gz GRKDYELTFCJVPE-HOCLYGCPSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C1CCCC1 ZINC000721617095 800296912 /nfs/dbraw/zinc/29/69/12/800296912.db2.gz GRKDYELTFCJVPE-HOCLYGCPSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000723608839 800329338 /nfs/dbraw/zinc/32/93/38/800329338.db2.gz SBDZJADQTCSYHG-NPJQDHAYSA-N 2 1 250.430 3.075 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723692165 800338273 /nfs/dbraw/zinc/33/82/73/800338273.db2.gz XWALTEKCYHYIFF-MNOVXSKESA-N 2 1 270.779 3.211 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000925761307 800633086 /nfs/dbraw/zinc/63/30/86/800633086.db2.gz ZCPIEMPQEPPHGK-CQSZACIVSA-N 2 1 292.398 3.025 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](CC2CC2)c2cccc(F)c2)CC1 ZINC001256201344 806848859 /nfs/dbraw/zinc/84/88/59/806848859.db2.gz GWAVSYVEFNHISC-QGZVFWFLSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256521048 806909050 /nfs/dbraw/zinc/90/90/50/806909050.db2.gz XWLRUZSQMOEIKN-PXZKZTPFSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256521048 806909054 /nfs/dbraw/zinc/90/90/54/806909054.db2.gz XWLRUZSQMOEIKN-PXZKZTPFSA-N 2 1 276.399 3.130 20 0 CGADMP C[C@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)[C@H]1C ZINC001256571507 806919959 /nfs/dbraw/zinc/91/99/59/806919959.db2.gz ITOFHKPSEGUKIT-KBPBESRZSA-N 2 1 252.446 3.370 20 0 CGADMP C[C@]1(CF)CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603277 806923637 /nfs/dbraw/zinc/92/36/37/806923637.db2.gz ATRKHHPSSIGLTI-GOSISDBHSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@]1(CF)CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603277 806923642 /nfs/dbraw/zinc/92/36/42/806923642.db2.gz ATRKHHPSSIGLTI-GOSISDBHSA-N 2 1 290.426 3.333 20 0 CGADMP COc1cccc(C(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256618488 806927589 /nfs/dbraw/zinc/92/75/89/806927589.db2.gz IHTFYRWGBNABFQ-MQVJKMGUSA-N 2 1 288.435 3.145 20 0 CGADMP Cc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC001256612517 806925736 /nfs/dbraw/zinc/92/57/36/806925736.db2.gz JDKYYIPVUWSGKU-GOOCMWNKSA-N 2 1 278.465 3.204 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2ccncc2)CC1 ZINC001256740188 806967486 /nfs/dbraw/zinc/96/74/86/806967486.db2.gz FLLGGTNBWOFMTE-MRXNPFEDSA-N 2 1 289.467 3.065 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001116511732 802368877 /nfs/dbraw/zinc/36/88/77/802368877.db2.gz KQCWDLWNCFAGII-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)c1cc(C)ccc1OC ZINC001118057703 802520727 /nfs/dbraw/zinc/52/07/27/802520727.db2.gz GIPNTVGMERDLLE-DZGCQCFKSA-N 2 1 264.413 3.042 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263525 802543142 /nfs/dbraw/zinc/54/31/42/802543142.db2.gz IQHNWMRMLWMKQJ-CQSZACIVSA-N 2 1 276.399 3.352 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC001118991887 802625980 /nfs/dbraw/zinc/62/59/80/802625980.db2.gz ROSMJOVCLRFIKS-KSSFIOAISA-N 2 1 288.435 3.004 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C12CCC2 ZINC001119631421 802686884 /nfs/dbraw/zinc/68/68/84/802686884.db2.gz UVZUOAJIQHKFDV-CABCVRRESA-N 2 1 299.443 3.170 20 0 CGADMP [NH3+]Cc1c(F)cccc1N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896798 806999953 /nfs/dbraw/zinc/99/99/53/806999953.db2.gz FFESBJWYKSMYRX-CYBMUJFWSA-N 2 1 291.414 3.103 20 0 CGADMP CCC[NH+](CCC)CCN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256899996 807002502 /nfs/dbraw/zinc/00/25/02/807002502.db2.gz YTRQMWHFCPJJOV-KRWDZBQOSA-N 2 1 295.515 3.105 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C(C)(C)C ZINC001256897229 807003382 /nfs/dbraw/zinc/00/33/82/807003382.db2.gz HJXCFDIMFISOKH-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C(C)(C)C ZINC001256897229 807003391 /nfs/dbraw/zinc/00/33/91/807003391.db2.gz HJXCFDIMFISOKH-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP c1cncc(CCC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256902836 807005001 /nfs/dbraw/zinc/00/50/01/807005001.db2.gz WVUYWQNABFDKDB-QGZVFWFLSA-N 2 1 287.451 3.011 20 0 CGADMP c1cncc(CCC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256902836 807005009 /nfs/dbraw/zinc/00/50/09/807005009.db2.gz WVUYWQNABFDKDB-QGZVFWFLSA-N 2 1 287.451 3.011 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001205545863 812998949 /nfs/dbraw/zinc/99/89/49/812998949.db2.gz NWTBVISVYMSISK-GFCCVEGCSA-N 2 1 276.808 3.054 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC001205280943 812928267 /nfs/dbraw/zinc/92/82/67/812928267.db2.gz MPZHSSSCYXFZNG-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)c1 ZINC001205280498 812928977 /nfs/dbraw/zinc/92/89/77/812928977.db2.gz ARNXWEZUHVUDPV-QGZVFWFLSA-N 2 1 276.424 3.015 20 0 CGADMP Cc1cc(C)c(-c2cccc(OCC[NH3+])c2)c(C)[nH+]1 ZINC001244326140 803305889 /nfs/dbraw/zinc/30/58/89/803305889.db2.gz FKMVPJGZIJSYKB-UHFFFAOYSA-N 2 1 256.349 3.011 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(F)cc12 ZINC001137342500 803720069 /nfs/dbraw/zinc/72/00/69/803720069.db2.gz AOGZUVFEJSLIPF-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP c1cc2cccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)c2o1 ZINC001245616149 803858403 /nfs/dbraw/zinc/85/84/03/803858403.db2.gz ZROYKVZOTJAEQS-UHFFFAOYSA-N 2 1 289.338 3.434 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C[NH2+]1 ZINC001246083792 804118628 /nfs/dbraw/zinc/11/86/28/804118628.db2.gz JYNHJNXRJKRNRF-VUGNNNGISA-N 2 1 288.435 3.107 20 0 CGADMP CCCCC[C@H](CCC)[NH2+][C@@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246126295 804154503 /nfs/dbraw/zinc/15/45/03/804154503.db2.gz IWZJXLWMPRHJCM-DOTOQJQBSA-N 2 1 298.471 3.010 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246133646 804158822 /nfs/dbraw/zinc/15/88/22/804158822.db2.gz KYEBRYYGPXEDBY-VBNZEHGJSA-N 2 1 278.827 3.145 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159790 804175374 /nfs/dbraw/zinc/17/53/74/804175374.db2.gz KKTILBMOCXWIEG-QZTJIDSGSA-N 2 1 296.499 3.338 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)CC(C)(C)C1 ZINC001246162495 804179091 /nfs/dbraw/zinc/17/90/91/804179091.db2.gz ZFEJYLBIPXMPEY-LISAXSMJSA-N 2 1 294.483 3.092 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175972 804190366 /nfs/dbraw/zinc/19/03/66/804190366.db2.gz JTEUCADRWARRPW-IRXDYDNUSA-N 3 1 295.515 3.137 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175972 804190371 /nfs/dbraw/zinc/19/03/71/804190371.db2.gz JTEUCADRWARRPW-IRXDYDNUSA-N 3 1 295.515 3.137 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175912 804191066 /nfs/dbraw/zinc/19/10/66/804191066.db2.gz IVTZRNWFCAUYOC-WMZOPIPTSA-N 3 1 295.515 3.281 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175912 804191068 /nfs/dbraw/zinc/19/10/68/804191068.db2.gz IVTZRNWFCAUYOC-WMZOPIPTSA-N 3 1 295.515 3.281 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175975 804191216 /nfs/dbraw/zinc/19/12/16/804191216.db2.gz JTEUCADRWARRPW-SJORKVTESA-N 3 1 295.515 3.137 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175975 804191219 /nfs/dbraw/zinc/19/12/19/804191219.db2.gz JTEUCADRWARRPW-SJORKVTESA-N 3 1 295.515 3.137 20 0 CGADMP CC(C[NH2+][C@@H]1CCC[NH2+]C1)(c1ccccc1)c1ccccc1 ZINC001246178131 804192497 /nfs/dbraw/zinc/19/24/97/804192497.db2.gz HKJLXCZUIKJMSK-LJQANCHMSA-N 2 1 294.442 3.334 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246183856 804195023 /nfs/dbraw/zinc/19/50/23/804195023.db2.gz UWSNPUFHSKUZNX-KKUMJFAQSA-N 2 1 258.425 3.129 20 0 CGADMP C[C@]1([NH2+]C2CCC(Oc3ccccc3)CC2)CCC[NH2+]C1 ZINC001246188189 804198241 /nfs/dbraw/zinc/19/82/41/804198241.db2.gz IBFACBLPBGUDES-VJFUWPCTSA-N 2 1 288.435 3.108 20 0 CGADMP Clc1ccccc1CSCC[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246201800 804207121 /nfs/dbraw/zinc/20/71/21/804207121.db2.gz GCHAKCYNQBIAIU-AWEZNQCLSA-N 2 1 298.883 3.305 20 0 CGADMP CCCCC[C@H](CC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246226130 804220916 /nfs/dbraw/zinc/22/09/16/804220916.db2.gz FKLWNZWINWRNKG-OLZOCXBDSA-N 2 1 262.388 3.180 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)C[NH2+]1 ZINC001246239318 804232089 /nfs/dbraw/zinc/23/20/89/804232089.db2.gz IZZUHSQEPBDQEG-AJNGGQMLSA-N 2 1 252.446 3.321 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C(C)(C)C1)c1ccccc1F ZINC001246262004 804244677 /nfs/dbraw/zinc/24/46/77/804244677.db2.gz GPYJESIWSOYWNZ-WFASDCNBSA-N 2 1 264.388 3.397 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246265720 804246356 /nfs/dbraw/zinc/24/63/56/804246356.db2.gz NPWSJMHZYWIIRV-BXUZGUMPSA-N 2 1 298.352 3.425 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)CC(C)(C)SCc1ccco1 ZINC001246268773 804247567 /nfs/dbraw/zinc/24/75/67/804247567.db2.gz ARTQHUXMESDVNB-CYBMUJFWSA-N 2 1 284.469 3.269 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+]C2(C[NH3+])CCCC2)cc1 ZINC001246278877 804254204 /nfs/dbraw/zinc/25/42/04/804254204.db2.gz JDYFGMJIHICPDQ-AWEZNQCLSA-N 2 1 278.465 3.337 20 0 CGADMP c1ccc([C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C2CCC2)cc1 ZINC001246286971 804260285 /nfs/dbraw/zinc/26/02/85/804260285.db2.gz JBMCMQNHPOHJRG-IAGOWNOFSA-N 2 1 258.409 3.260 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C(C)C)C1)c1ccc(C)o1 ZINC001246306848 804270147 /nfs/dbraw/zinc/27/01/47/804270147.db2.gz LRRHQIFKYDBBBL-KFWWJZLASA-N 2 1 264.413 3.405 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]C(C)(C)c2ccccc2F)CC[NH2+]1 ZINC001246349696 804297752 /nfs/dbraw/zinc/29/77/52/804297752.db2.gz NRHJCPKDXMSFKG-CZUORRHYSA-N 2 1 278.415 3.427 20 0 CGADMP CCC(C)(C)C1CCC([NH2+]C2(C[NH3+])CCC2)CC1 ZINC001246356156 804302261 /nfs/dbraw/zinc/30/22/61/804302261.db2.gz MUCOKGSHFSIINJ-UHFFFAOYSA-N 2 1 252.446 3.452 20 0 CGADMP CC[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246359288 804302924 /nfs/dbraw/zinc/30/29/24/804302924.db2.gz AIPKKRSTTAUUBO-VVLHAWIVSA-N 2 1 295.515 3.006 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358606 804303252 /nfs/dbraw/zinc/30/32/52/804303252.db2.gz FVQZJFFGQTZYOV-HZSPNIEDSA-N 2 1 296.480 3.410 20 0 CGADMP CCCC[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)CC[NH2+]1 ZINC001246360232 804304843 /nfs/dbraw/zinc/30/48/43/804304843.db2.gz GPMCWQSQIIRBOB-ULQDDVLXSA-N 2 1 295.515 3.007 20 0 CGADMP CC[C@H](C)[NH2+]C1(c2ccccc2Cl)CC[NH2+]CC1 ZINC001246372088 804309422 /nfs/dbraw/zinc/30/94/22/804309422.db2.gz CCPULWAUWPKFOA-LBPRGKRZSA-N 2 1 266.816 3.307 20 0 CGADMP c1ccc(C2CC2)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001139883790 804313458 /nfs/dbraw/zinc/31/34/58/804313458.db2.gz IGYJRKJPHSCTKR-UHFFFAOYSA-N 2 1 270.420 3.234 20 0 CGADMP Fc1ccc(CC2([NH2+][C@H]3CCCC[NH2+]C3)CCC2)cc1 ZINC001246384958 804315031 /nfs/dbraw/zinc/31/50/31/804315031.db2.gz ACGZZIAKOODMKC-INIZCTEOSA-N 2 1 276.399 3.023 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2F)CC[NH2+]1 ZINC001246389993 804318311 /nfs/dbraw/zinc/31/83/11/804318311.db2.gz CMAPMDKTWZIHNB-IFIJOSMWSA-N 2 1 276.399 3.397 20 0 CGADMP CCCCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411881 804326798 /nfs/dbraw/zinc/32/67/98/804326798.db2.gz GXDJDMIWDISGHP-HUUCEWRRSA-N 2 1 270.461 3.092 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140024671 804355175 /nfs/dbraw/zinc/35/51/75/804355175.db2.gz GDHKJFUVJCISQO-HRCADAONSA-N 2 1 285.366 3.113 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)C[C@H]1C ZINC001246485001 804355414 /nfs/dbraw/zinc/35/54/14/804355414.db2.gz GHWRVIVJCWNTMX-MQYQWHSLSA-N 2 1 274.399 3.036 20 0 CGADMP C[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246518179 804371337 /nfs/dbraw/zinc/37/13/37/804371337.db2.gz FILQHUHWHMAZDY-HUUCEWRRSA-N 2 1 250.430 3.316 20 0 CGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246520190 804373508 /nfs/dbraw/zinc/37/35/08/804373508.db2.gz RNKZWHVXISXZMZ-WOJBJXKFSA-N 2 1 294.442 3.482 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC001246520137 804374701 /nfs/dbraw/zinc/37/47/01/804374701.db2.gz QYWQAMGOJDFBOI-QZTJIDSGSA-N 2 1 272.436 3.356 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246521013 804376239 /nfs/dbraw/zinc/37/62/39/804376239.db2.gz BSDULJNMNCFUBP-AWEZNQCLSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246525388 804379276 /nfs/dbraw/zinc/37/92/76/804379276.db2.gz XCIIFEGNZVCDHF-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552855 804402238 /nfs/dbraw/zinc/40/22/38/804402238.db2.gz WBFCPUOREYADPV-RRFJBIMHSA-N 2 1 258.425 3.354 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140145598 804388418 /nfs/dbraw/zinc/38/84/18/804388418.db2.gz MONPOKUGPCLEHI-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140145598 804388423 /nfs/dbraw/zinc/38/84/23/804388423.db2.gz MONPOKUGPCLEHI-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CC1 ZINC001246541619 804391761 /nfs/dbraw/zinc/39/17/61/804391761.db2.gz PCJQWZORYHEFQE-WQZDSJPGSA-N 2 1 264.457 3.118 20 0 CGADMP FC1(F)CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246545760 804392289 /nfs/dbraw/zinc/39/22/89/804392289.db2.gz IJBAMZYDZJJWPV-UHFFFAOYSA-N 2 1 286.410 3.420 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001246545053 804393321 /nfs/dbraw/zinc/39/33/21/804393321.db2.gz WSMLEPXNZYFXEJ-RDJZCZTQSA-N 2 1 260.425 3.129 20 0 CGADMP C1C[C@H]2C[C@H]([NH+]3CCC4(CCCCC4)CC3)C[C@@H]1[NH2+]2 ZINC001246546741 804394721 /nfs/dbraw/zinc/39/47/21/804394721.db2.gz BJVHUCBENKUJSD-MUJYYYPQSA-N 2 1 262.441 3.316 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246547382 804395537 /nfs/dbraw/zinc/39/55/37/804395537.db2.gz HYPQPSOMKBIJNU-DZGCQCFKSA-N 2 1 256.409 3.108 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246546829 804396059 /nfs/dbraw/zinc/39/60/59/804396059.db2.gz APYRDFQRFURXFQ-YOEHRIQHSA-N 2 1 294.389 3.025 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246550807 804400107 /nfs/dbraw/zinc/40/01/07/804400107.db2.gz XFSRGWNRKGEPLM-MRXNPFEDSA-N 2 1 270.420 3.028 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001246551296 804400436 /nfs/dbraw/zinc/40/04/36/804400436.db2.gz PNQHVVNVQRVUOO-OLZOCXBDSA-N 2 1 298.833 3.342 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001246551296 804400440 /nfs/dbraw/zinc/40/04/40/804400440.db2.gz PNQHVVNVQRVUOO-OLZOCXBDSA-N 2 1 298.833 3.342 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246551460 804400604 /nfs/dbraw/zinc/40/06/04/804400604.db2.gz RYDYRBUSHPOTDC-XLNGHYISSA-N 2 1 258.409 3.134 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001246549946 804401211 /nfs/dbraw/zinc/40/12/11/804401211.db2.gz NSPNPVOBSUDKSB-SJLPKXTDSA-N 2 1 292.442 3.469 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@](C)([NH3+])CC1)C2 ZINC001246553079 804401863 /nfs/dbraw/zinc/40/18/63/804401863.db2.gz QTCCBKIMHWNFGH-FUHWJXTLSA-N 2 1 272.436 3.056 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1C[NH3+] ZINC001246553198 804402762 /nfs/dbraw/zinc/40/27/62/804402762.db2.gz SGDDFYUOLASPOW-DDBAPUKQSA-N 2 1 272.436 3.239 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246552590 804402891 /nfs/dbraw/zinc/40/28/91/804402891.db2.gz QRZMCKSTYVFZII-FZKCQIBNSA-N 2 1 254.462 3.364 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001246551816 804402936 /nfs/dbraw/zinc/40/29/36/804402936.db2.gz RKTTXGPPTFGPGH-AGIUHOORSA-N 2 1 296.352 3.260 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246552605 804403022 /nfs/dbraw/zinc/40/30/22/804403022.db2.gz QRZMCKSTYVFZII-XUWVNRHRSA-N 2 1 254.462 3.364 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C)C2)CC[NH2+]1 ZINC001246556524 804405632 /nfs/dbraw/zinc/40/56/32/804405632.db2.gz HMUFJASUKSFRKE-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246557654 804405703 /nfs/dbraw/zinc/40/57/03/804405703.db2.gz NAPIQBCSQSQYCX-MOKVOYLWSA-N 2 1 274.399 3.117 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCc3ccccc3CC2)CC[C@@H]1C[NH3+] ZINC001246556560 804405821 /nfs/dbraw/zinc/40/58/21/804405821.db2.gz HVRCTAMOEQQETN-CRAIPNDOSA-N 2 1 286.463 3.241 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001246556526 804406013 /nfs/dbraw/zinc/40/60/13/804406013.db2.gz HNRHVVSAWXKEAQ-MAUKXSAKSA-N 2 1 292.442 3.333 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246559723 804407502 /nfs/dbraw/zinc/40/75/02/804407502.db2.gz PPXSYPWEGSHXGA-WBVHZDCISA-N 2 1 260.425 3.285 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC(C)(C)CC2)CC[C@H]1C[NH3+] ZINC001246559297 804407991 /nfs/dbraw/zinc/40/79/91/804407991.db2.gz PDNJAYZKZBFBMQ-KGLIPLIRSA-N 2 1 252.446 3.262 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246559607 804408606 /nfs/dbraw/zinc/40/86/06/804408606.db2.gz DLSWTFLODXFCRN-WFVVYAPDSA-N 2 1 274.383 3.246 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246561802 804410255 /nfs/dbraw/zinc/41/02/55/804410255.db2.gz GIDAEVJDSWWZAQ-HYVNUMGLSA-N 2 1 260.425 3.067 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1)CC2 ZINC001246562678 804411706 /nfs/dbraw/zinc/41/17/06/804411706.db2.gz VZPYCRVIRDMMDS-VDZJLULYSA-N 2 1 286.463 3.159 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246563365 804411933 /nfs/dbraw/zinc/41/19/33/804411933.db2.gz QGLJXPYFRCMCPY-DLTLXFJOSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCCC[C@@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246568087 804414957 /nfs/dbraw/zinc/41/49/57/804414957.db2.gz PUWIADWEFOJGSY-MGPQQGTHSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)CCC[C@@H]1C ZINC001246568781 804417685 /nfs/dbraw/zinc/41/76/85/804417685.db2.gz BHOBLQGBAAAHEM-JUVOFCAFSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)C1CCC([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246574205 804420930 /nfs/dbraw/zinc/42/09/30/804420930.db2.gz FJGGAUMKGREAAL-GPANFISMSA-N 2 1 270.436 3.354 20 0 CGADMP CC(C)C1CCC([N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246574205 804420932 /nfs/dbraw/zinc/42/09/32/804420932.db2.gz FJGGAUMKGREAAL-GPANFISMSA-N 2 1 270.436 3.354 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246573027 804420991 /nfs/dbraw/zinc/42/09/91/804420991.db2.gz YNVJPWUCYYBROE-YHNBSYBMSA-N 2 1 252.446 3.262 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCC[C@@](C)(F)C2)C[C@@H](CC)[NH2+]1 ZINC001246576238 804422096 /nfs/dbraw/zinc/42/20/96/804422096.db2.gz NMBFADQRIKNBPJ-UMVBOHGHSA-N 2 1 256.409 3.120 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@@](C)(F)C2)C[C@@H](CC)[NH2+]1 ZINC001246576238 804422099 /nfs/dbraw/zinc/42/20/99/804422099.db2.gz NMBFADQRIKNBPJ-UMVBOHGHSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246581522 804426047 /nfs/dbraw/zinc/42/60/47/804426047.db2.gz QJWBSIYNWPQUAA-IRXDYDNUSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246583850 804428337 /nfs/dbraw/zinc/42/83/37/804428337.db2.gz SFZXFULSYJYJHU-DZGCQCFKSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001246592572 804433245 /nfs/dbraw/zinc/43/32/45/804433245.db2.gz KMNPRKQVZHXRGW-QGZVFWFLSA-N 2 1 294.483 3.177 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246591914 804433308 /nfs/dbraw/zinc/43/33/08/804433308.db2.gz JTDJSRMIMQVWOU-DAWZGUTISA-N 3 1 295.515 3.090 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@](C)(CN)C2)CC1 ZINC001246591914 804433311 /nfs/dbraw/zinc/43/33/11/804433311.db2.gz JTDJSRMIMQVWOU-DAWZGUTISA-N 2 1 295.515 3.090 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@](C)(CN)C2)CC1 ZINC001246591914 804433313 /nfs/dbraw/zinc/43/33/13/804433313.db2.gz JTDJSRMIMQVWOU-DAWZGUTISA-N 2 1 295.515 3.090 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246593892 804435600 /nfs/dbraw/zinc/43/56/00/804435600.db2.gz UEEROQFADGYONO-UMVBOHGHSA-N 2 1 280.843 3.330 20 0 CGADMP C[C@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246594576 804435628 /nfs/dbraw/zinc/43/56/28/804435628.db2.gz WRWQDJJNHXNNIX-GTPINHCMSA-N 2 1 264.457 3.421 20 0 CGADMP c1ccc2c(c1)CC([N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C2 ZINC001246599235 804438981 /nfs/dbraw/zinc/43/89/81/804438981.db2.gz BJCINZBMAPGMTN-FQEVSTJZSA-N 2 1 298.474 3.400 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246600187 804439031 /nfs/dbraw/zinc/43/90/31/804439031.db2.gz FJZKXFPFPUNYBT-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246600187 804439034 /nfs/dbraw/zinc/43/90/34/804439034.db2.gz FJZKXFPFPUNYBT-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC2 ZINC001246604733 804441571 /nfs/dbraw/zinc/44/15/71/804441571.db2.gz IOJYZWRTXSJPAL-PMACEKPBSA-N 2 1 298.474 3.460 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C[C@@H]1C ZINC001246605484 804441630 /nfs/dbraw/zinc/44/16/30/804441630.db2.gz KFHPRXYUMZTBEI-QZWWFDLISA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246604769 804441682 /nfs/dbraw/zinc/44/16/82/804441682.db2.gz NZBLNLTVGFMZPC-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246604769 804441686 /nfs/dbraw/zinc/44/16/86/804441686.db2.gz NZBLNLTVGFMZPC-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246609337 804442781 /nfs/dbraw/zinc/44/27/81/804442781.db2.gz MLXMWCLTPCRGJV-QZTJIDSGSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246608916 804442988 /nfs/dbraw/zinc/44/29/88/804442988.db2.gz VZCDDDWBPKRHPU-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001246607584 804442997 /nfs/dbraw/zinc/44/29/97/804442997.db2.gz RBZNZNAMWRLXAH-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246608759 804443392 /nfs/dbraw/zinc/44/33/92/804443392.db2.gz JLVNASQKDLXPOB-MJGOQNOKSA-N 2 1 284.447 3.070 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246611852 804446293 /nfs/dbraw/zinc/44/62/93/804446293.db2.gz CXSQJSPUCNLKHA-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246611852 804446295 /nfs/dbraw/zinc/44/62/95/804446295.db2.gz CXSQJSPUCNLKHA-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc2c(c1)CCC([N@@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246612068 804446720 /nfs/dbraw/zinc/44/67/20/804446720.db2.gz WRLCDSAZPSORBL-IBGZPJMESA-N 2 1 284.447 3.152 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246611854 804447516 /nfs/dbraw/zinc/44/75/16/804447516.db2.gz CXSQJSPUCNLKHA-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246611854 804447519 /nfs/dbraw/zinc/44/75/19/804447519.db2.gz CXSQJSPUCNLKHA-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246615833 804449961 /nfs/dbraw/zinc/44/99/61/804449961.db2.gz SVLFYWDFVQHZKZ-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3CCC[C@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246615514 804450304 /nfs/dbraw/zinc/45/03/04/804450304.db2.gz WLFJDMQAAUFPGK-KURKYZTESA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CCC[C@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246615514 804450310 /nfs/dbraw/zinc/45/03/10/804450310.db2.gz WLFJDMQAAUFPGK-KURKYZTESA-N 2 1 270.420 3.151 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001246618314 804451952 /nfs/dbraw/zinc/45/19/52/804451952.db2.gz JWQVMEUVLICLSL-OFLPRAFFSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CC([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)C1 ZINC001246619940 804453909 /nfs/dbraw/zinc/45/39/09/804453909.db2.gz PJZYLXXCAGBUOC-QZCPTFHJSA-N 2 1 284.447 3.382 20 0 CGADMP C[C@H]1CC([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)C1 ZINC001246619940 804453912 /nfs/dbraw/zinc/45/39/12/804453912.db2.gz PJZYLXXCAGBUOC-QZCPTFHJSA-N 2 1 284.447 3.382 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246623360 804456174 /nfs/dbraw/zinc/45/61/74/804456174.db2.gz QCMRGVCNHWWZSG-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624765 804457095 /nfs/dbraw/zinc/45/70/95/804457095.db2.gz RZAXRWPDYUKERE-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624765 804457099 /nfs/dbraw/zinc/45/70/99/804457099.db2.gz RZAXRWPDYUKERE-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246628120 804458221 /nfs/dbraw/zinc/45/82/21/804458221.db2.gz AQQFSVIIDMJXJX-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC23CCCC3)CC[NH2+]1 ZINC001246628782 804458943 /nfs/dbraw/zinc/45/89/43/804458943.db2.gz ZRTBHOOEWFWVLB-CABCVRRESA-N 2 1 250.430 3.316 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246628364 804459012 /nfs/dbraw/zinc/45/90/12/804459012.db2.gz XKWDVTJPIYAFAR-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[NH2+]3)CC2)C[C@@H]1C ZINC001246626961 804459019 /nfs/dbraw/zinc/45/90/19/804459019.db2.gz VORILBNEWKIMRD-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246628508 804459201 /nfs/dbraw/zinc/45/92/01/804459201.db2.gz ZWCPZJYBIORTDW-KZNAEPCWSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246630564 804460879 /nfs/dbraw/zinc/46/08/79/804460879.db2.gz PIWNLVOZEBDRDS-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246629716 804461034 /nfs/dbraw/zinc/46/10/34/804461034.db2.gz HKQLPTIABJUBKY-OALUTQOASA-N 2 1 286.463 3.329 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631531 804461894 /nfs/dbraw/zinc/46/18/94/804461894.db2.gz QFCVKTKDVOHUSU-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632569 804462789 /nfs/dbraw/zinc/46/27/89/804462789.db2.gz XKIXJLDHCUKWCY-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246631499 804462956 /nfs/dbraw/zinc/46/29/56/804462956.db2.gz UDOZCCCXUOLTNO-TWMKSMIVSA-N 2 1 266.473 3.379 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246632909 804463953 /nfs/dbraw/zinc/46/39/53/804463953.db2.gz XNEKDXRRNROLHA-SQNIBIBYSA-N 2 1 272.436 3.080 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246632909 804463955 /nfs/dbraw/zinc/46/39/55/804463955.db2.gz XNEKDXRRNROLHA-SQNIBIBYSA-N 2 1 272.436 3.080 20 0 CGADMP CCCC[C@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246639738 804467723 /nfs/dbraw/zinc/46/77/23/804467723.db2.gz PTKBLAIFYOAWGV-UONOGXRCSA-N 2 1 274.399 3.276 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246640136 804467740 /nfs/dbraw/zinc/46/77/40/804467740.db2.gz SFPVNOKKCUMGLS-AWEZNQCLSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CC(C)(C)C1 ZINC001246641401 804468810 /nfs/dbraw/zinc/46/88/10/804468810.db2.gz YXPMJDGKUFFVMI-HUUCEWRRSA-N 2 1 264.457 3.277 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246641275 804468887 /nfs/dbraw/zinc/46/88/87/804468887.db2.gz CUBFZWFBOONEND-DZGCQCFKSA-N 2 1 270.486 3.125 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246644603 804472029 /nfs/dbraw/zinc/47/20/29/804472029.db2.gz IIJSNDNYTSYQQM-OKZBNKHCSA-N 2 1 296.499 3.293 20 0 CGADMP c1ccc2c(c1)CC([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C2 ZINC001246644084 804472210 /nfs/dbraw/zinc/47/22/10/804472210.db2.gz JFMCZNMSDGTTLF-IBGZPJMESA-N 2 1 284.447 3.008 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCCC13CC[NH2+]CC3)C2 ZINC001246648128 804474868 /nfs/dbraw/zinc/47/48/68/804474868.db2.gz OOTIBRYYDHDCEY-SFHVURJKSA-N 2 1 298.474 3.460 20 0 CGADMP C1C[C@@H]2CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]2C1 ZINC001246655050 804480007 /nfs/dbraw/zinc/48/00/07/804480007.db2.gz JGWSWQXEAJWSKZ-MRLCAUJQSA-N 2 1 276.468 3.421 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246654799 804480788 /nfs/dbraw/zinc/48/07/88/804480788.db2.gz XAMZIPXHWLLEJN-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246654799 804480792 /nfs/dbraw/zinc/48/07/92/804480792.db2.gz XAMZIPXHWLLEJN-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246653833 804480845 /nfs/dbraw/zinc/48/08/45/804480845.db2.gz ABFHFVYLEOQNRN-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246658453 804481781 /nfs/dbraw/zinc/48/17/81/804481781.db2.gz KPVLJOZDRGHUBT-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246658453 804481788 /nfs/dbraw/zinc/48/17/88/804481788.db2.gz KPVLJOZDRGHUBT-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246668236 804487898 /nfs/dbraw/zinc/48/78/98/804487898.db2.gz MNJYBAKAHQOFED-QRVBRYPASA-N 2 1 286.463 3.185 20 0 CGADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)CC3)cc1 ZINC001246672614 804489609 /nfs/dbraw/zinc/48/96/09/804489609.db2.gz MKPWZIOCLDGOIM-MJGOQNOKSA-N 2 1 284.447 3.182 20 0 CGADMP C[N@H+](Cc1cc[nH]c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140709320 804494894 /nfs/dbraw/zinc/49/48/94/804494894.db2.gz YNKVTLYMVGDMFW-UHFFFAOYSA-N 2 1 297.446 3.359 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246766873 804500934 /nfs/dbraw/zinc/50/09/34/804500934.db2.gz ONUZHJSGXAYXRF-KRWDZBQOSA-N 2 1 272.436 3.349 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC001246749726 804501592 /nfs/dbraw/zinc/50/15/92/804501592.db2.gz SUHKLKZJXHYSGJ-KRWDZBQOSA-N 2 1 284.447 3.027 20 0 CGADMP CCCC[N@@H+](CCC)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246779332 804507038 /nfs/dbraw/zinc/50/70/38/804507038.db2.gz RWEWFIPIAKHVCO-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246779692 804507579 /nfs/dbraw/zinc/50/75/79/804507579.db2.gz SYLUTWJZEHEIMM-QGZVFWFLSA-N 2 1 280.415 3.414 20 0 CGADMP C[NH2+]Cc1ccc(N[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256919476 807011737 /nfs/dbraw/zinc/01/17/37/807011737.db2.gz WXNLUROOBGNKEP-QGZVFWFLSA-N 2 1 287.451 3.225 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246791303 804516235 /nfs/dbraw/zinc/51/62/35/804516235.db2.gz OGSAENCYOMDYJX-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246793341 804517481 /nfs/dbraw/zinc/51/74/81/804517481.db2.gz VBZJBCOQPLGYFI-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246793938 804518250 /nfs/dbraw/zinc/51/82/50/804518250.db2.gz FCANEEXTTJESJR-IRXDYDNUSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246793764 804518272 /nfs/dbraw/zinc/51/82/72/804518272.db2.gz DKXNOHDIAKDSGH-HUUCEWRRSA-N 2 1 266.816 3.302 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001246795939 804519414 /nfs/dbraw/zinc/51/94/14/804519414.db2.gz KJHGHZSSQWWCLG-HNNXBMFYSA-N 2 1 292.854 3.271 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001140807263 804522603 /nfs/dbraw/zinc/52/26/03/804522603.db2.gz SRRGJDUQCRGUBY-MRXNPFEDSA-N 2 1 292.386 3.165 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001140807263 804522604 /nfs/dbraw/zinc/52/26/04/804522604.db2.gz SRRGJDUQCRGUBY-MRXNPFEDSA-N 2 1 292.386 3.165 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC001246809459 804526229 /nfs/dbraw/zinc/52/62/29/804526229.db2.gz WMZWJRZHJFPXHT-LSDHHAIUSA-N 2 1 278.465 3.417 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC001246809459 804526236 /nfs/dbraw/zinc/52/62/36/804526236.db2.gz WMZWJRZHJFPXHT-LSDHHAIUSA-N 2 1 278.465 3.417 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCCC[C@@H]1c1cccc(OC)c1 ZINC001246810158 804526311 /nfs/dbraw/zinc/52/63/11/804526311.db2.gz YMLYVPQSEMVNQC-WMLDXEAASA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)[C@@H](C)C1 ZINC001246808979 804527080 /nfs/dbraw/zinc/52/70/80/804527080.db2.gz FLGDJVANQBEYER-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC001246809457 804527431 /nfs/dbraw/zinc/52/74/31/804527431.db2.gz WMZWJRZHJFPXHT-GJZGRUSLSA-N 2 1 278.465 3.417 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC001246809457 804527435 /nfs/dbraw/zinc/52/74/35/804527435.db2.gz WMZWJRZHJFPXHT-GJZGRUSLSA-N 2 1 278.465 3.417 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001246812299 804528691 /nfs/dbraw/zinc/52/86/91/804528691.db2.gz YNSNFTCHUOTVCV-STQMWFEESA-N 2 1 266.816 3.127 20 0 CGADMP CCCN(CCC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256922127 807014003 /nfs/dbraw/zinc/01/40/03/807014003.db2.gz BRRCBPCYVNBHES-GOSISDBHSA-N 2 1 295.515 3.057 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC001246814692 804530748 /nfs/dbraw/zinc/53/07/48/804530748.db2.gz RFKFWDPIIKMYIV-PIIMJCKOSA-N 2 1 272.436 3.142 20 0 CGADMP Fc1cccc2c1C[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246819217 804533569 /nfs/dbraw/zinc/53/35/69/804533569.db2.gz CGZUPLDNRPSMET-UHFFFAOYSA-N 2 1 288.410 3.454 20 0 CGADMP CC1(C)[C@@H]2C[N@@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C[C@@H]21 ZINC001246818912 804533860 /nfs/dbraw/zinc/53/38/60/804533860.db2.gz GBLSHXQRILCPTR-KFWWJZLASA-N 2 1 262.441 3.029 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C)CCc2ccccc2Cl)CC[NH2+]1 ZINC001246824116 804536406 /nfs/dbraw/zinc/53/64/06/804536406.db2.gz QCQAWEAGLTYSPE-GJZGRUSLSA-N 2 1 280.843 3.345 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)CC2 ZINC001246827349 804539327 /nfs/dbraw/zinc/53/93/27/804539327.db2.gz JSKYPEUTIZZFOK-UHFFFAOYSA-N 2 1 288.410 3.106 20 0 CGADMP C1C[NH2+]CC2(C1)CCC([N@H+]1CC3CCC1CC3)CC2 ZINC001246830745 804540030 /nfs/dbraw/zinc/54/00/30/804540030.db2.gz HVTXFXMYWOOMKD-UHFFFAOYSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@@H]1CC([N@@H+]2CCC[C@H]3CCCC[C@@H]32)C[C@@H](C)[NH2+]1 ZINC001246837462 804546127 /nfs/dbraw/zinc/54/61/27/804546127.db2.gz NYBVBHUUFMPJBH-KQTLUZQSSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@H]3CCCC[C@@H]32)C[C@@H](C)[NH2+]1 ZINC001246837462 804546130 /nfs/dbraw/zinc/54/61/30/804546130.db2.gz NYBVBHUUFMPJBH-KQTLUZQSSA-N 2 1 250.430 3.170 20 0 CGADMP CCCCC[C@H](CC)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246838612 804546508 /nfs/dbraw/zinc/54/65/08/804546508.db2.gz YVSFVWWFZWEJIM-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246838571 804546562 /nfs/dbraw/zinc/54/65/62/804546562.db2.gz CYRKNAKGBJVHJU-SWLSCSKDSA-N 2 1 266.816 3.302 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001246839237 804547685 /nfs/dbraw/zinc/54/76/85/804547685.db2.gz CDHMLNNWFIHGLA-PNBKFKSVSA-N 2 1 290.476 3.145 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)CC2CCCC2)C[C@@H](CC)[NH2+]1 ZINC001246841110 804550986 /nfs/dbraw/zinc/55/09/86/804550986.db2.gz MOCVZXJRIWTZKP-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CC[NH2+]1 ZINC001246844429 804551799 /nfs/dbraw/zinc/55/17/99/804551799.db2.gz JGNYNFUCAGHIRH-JQHSSLGASA-N 2 1 272.436 3.397 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001246843021 804552164 /nfs/dbraw/zinc/55/21/64/804552164.db2.gz DJVQAONVVUKXEU-QGZVFWFLSA-N 2 1 272.436 3.356 20 0 CGADMP CCCCCC[C@H](CC)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246845778 804553802 /nfs/dbraw/zinc/55/38/02/804553802.db2.gz LRPHVIFBLZFUBX-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246845778 804553805 /nfs/dbraw/zinc/55/38/05/804553805.db2.gz LRPHVIFBLZFUBX-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246846847 804555793 /nfs/dbraw/zinc/55/57/93/804555793.db2.gz QSDMXNDLSCVHDV-DOTOQJQBSA-N 2 1 278.415 3.424 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246846847 804555798 /nfs/dbraw/zinc/55/57/98/804555798.db2.gz QSDMXNDLSCVHDV-DOTOQJQBSA-N 2 1 278.415 3.424 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC2(C)C)C[C@H](CC)[NH2+]1 ZINC001246847315 804556097 /nfs/dbraw/zinc/55/60/97/804556097.db2.gz SWXHINZKHSQRTG-BYNSBNAKSA-N 2 1 252.446 3.274 20 0 CGADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001246847201 804557005 /nfs/dbraw/zinc/55/70/05/804557005.db2.gz JMFRTSTWOFASLO-JKSUJKDBSA-N 2 1 262.441 3.031 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC001246847721 804557712 /nfs/dbraw/zinc/55/77/12/804557712.db2.gz RTTHYGFVFOEHRM-LSDHHAIUSA-N 2 1 262.441 3.031 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246849093 804559338 /nfs/dbraw/zinc/55/93/38/804559338.db2.gz YYLQDMJJGQGNGN-YRXWBPOGSA-N 2 1 284.447 3.254 20 0 CGADMP Clc1cccc([C@H]2CC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)c1 ZINC001246850597 804559660 /nfs/dbraw/zinc/55/96/60/804559660.db2.gz JKGDQWOHZDHBKY-GOEBONIOSA-N 2 1 278.827 3.271 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C[C@@H](C)[NH2+]1 ZINC001246851047 804560276 /nfs/dbraw/zinc/56/02/76/804560276.db2.gz XYYMTTCXEHNIMT-NFAWXSAZSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C[C@@H](C)[NH2+]1 ZINC001246851048 804560511 /nfs/dbraw/zinc/56/05/11/804560511.db2.gz XYYMTTCXEHNIMT-UMVBOHGHSA-N 2 1 276.399 3.144 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246854275 804563956 /nfs/dbraw/zinc/56/39/56/804563956.db2.gz PWBJLTYIXFIDGO-KZNAEPCWSA-N 2 1 272.436 3.067 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC001246859923 804565683 /nfs/dbraw/zinc/56/56/83/804565683.db2.gz MTCYMLJVZHWQCT-DOTOQJQBSA-N 2 1 258.409 3.182 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246862999 804567078 /nfs/dbraw/zinc/56/70/78/804567078.db2.gz OQJVAJJNSGSXID-YOEHRIQHSA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246862999 804567081 /nfs/dbraw/zinc/56/70/81/804567081.db2.gz OQJVAJJNSGSXID-YOEHRIQHSA-N 2 1 290.426 3.351 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC(n3ccc4ccccc43)CC2)C[NH2+]1 ZINC001246867359 804568868 /nfs/dbraw/zinc/56/88/68/804568868.db2.gz IMPLGPMNHLKUDZ-CRAIPNDOSA-N 2 1 297.446 3.419 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246865602 804569960 /nfs/dbraw/zinc/56/99/60/804569960.db2.gz ZKWMOYAADAWVTA-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246865602 804569966 /nfs/dbraw/zinc/56/99/66/804569966.db2.gz ZKWMOYAADAWVTA-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246865301 804570322 /nfs/dbraw/zinc/57/03/22/804570322.db2.gz SWXKUPJMZYJPMQ-BZSNNMDCSA-N 2 1 272.436 3.397 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC001246870526 804572131 /nfs/dbraw/zinc/57/21/31/804572131.db2.gz LSBIIWXDVDGDPS-HZPDHXFCSA-N 2 1 272.436 3.310 20 0 CGADMP CC1(C)C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246871041 804573675 /nfs/dbraw/zinc/57/36/75/804573675.db2.gz NBIODOUDHXXIEC-XYPWUTKMSA-N 2 1 270.420 3.063 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246877812 804576737 /nfs/dbraw/zinc/57/67/37/804576737.db2.gz GRCNRNHZWGITCA-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP CCCC[C@@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882563 804578040 /nfs/dbraw/zinc/57/80/40/804578040.db2.gz YWZCMHJDKXIYGA-QRVBRYPASA-N 2 1 286.463 3.428 20 0 CGADMP C[N@@H+]([C@H]1CCc2c(Cl)cccc2C1)C1(C)CC[NH2+]CC1 ZINC001246912701 804597359 /nfs/dbraw/zinc/59/73/59/804597359.db2.gz VGGWRIOPWZZJDO-AWEZNQCLSA-N 2 1 292.854 3.271 20 0 CGADMP C[C@H]1CC([N@@H+]2CCC[C@H]3CCCC[C@@H]32)C[C@H](C)[NH2+]1 ZINC001246921171 804602808 /nfs/dbraw/zinc/60/28/08/804602808.db2.gz NYBVBHUUFMPJBH-AYDFFVQHSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@H]3CCCC[C@@H]32)C[C@H](C)[NH2+]1 ZINC001246921171 804602810 /nfs/dbraw/zinc/60/28/10/804602810.db2.gz NYBVBHUUFMPJBH-AYDFFVQHSA-N 2 1 250.430 3.170 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001246924137 804603707 /nfs/dbraw/zinc/60/37/07/804603707.db2.gz ZCIMFWVVGFTCNT-UYSNPLJNSA-N 2 1 290.426 3.145 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](C(F)(F)F)C2)CC(C)(C)C1 ZINC001246933908 804607145 /nfs/dbraw/zinc/60/71/45/804607145.db2.gz JTVSRZJSJAWZDE-VOAKCMCISA-N 2 1 292.389 3.413 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@H]1CCCSC1 ZINC001246937384 804609220 /nfs/dbraw/zinc/60/92/20/804609220.db2.gz LZYQEIHZVBGREL-ZBFHGGJFSA-N 2 1 282.497 3.126 20 0 CGADMP CSCC[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246939784 804611150 /nfs/dbraw/zinc/61/11/50/804611150.db2.gz VHAQLFTYIMFMSJ-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001246946066 804613898 /nfs/dbraw/zinc/61/38/98/804613898.db2.gz ZHZQZEWNUXPVEW-WBVHZDCISA-N 2 1 260.425 3.438 20 0 CGADMP CCOCC[N@@H+]([C@H](CC)C[C@@H](C)CC)C1CC[NH2+]CC1 ZINC001246950021 804616402 /nfs/dbraw/zinc/61/64/02/804616402.db2.gz OIUHFVYZBJFKSB-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCCC(C)(C)C1 ZINC001246949941 804616880 /nfs/dbraw/zinc/61/68/80/804616880.db2.gz MDNCTBZDRYEEJU-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246973023 804622040 /nfs/dbraw/zinc/62/20/40/804622040.db2.gz LLQPQESKKPCFKA-SJLPKXTDSA-N 2 1 286.463 3.390 20 0 CGADMP C[N@H+](Cc1cccc(-n2ccnc2)c1)C[C@H]1CC1(C)C ZINC001141244400 804624151 /nfs/dbraw/zinc/62/41/51/804624151.db2.gz MAEADTRNNGLVBA-OAHLLOKOSA-N 2 1 269.392 3.350 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001246978598 804625649 /nfs/dbraw/zinc/62/56/49/804625649.db2.gz WLGCYDGPQGLRQH-KBXCAEBGSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246982661 804627624 /nfs/dbraw/zinc/62/76/24/804627624.db2.gz ZOBKKJHCJFUXMV-QWHCGFSZSA-N 2 1 284.469 3.349 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+](C)C[C@H](C)[NH3+] ZINC001246982661 804627628 /nfs/dbraw/zinc/62/76/28/804627628.db2.gz ZOBKKJHCJFUXMV-QWHCGFSZSA-N 2 1 284.469 3.349 20 0 CGADMP Cc1cc2[nH+]c(C3CC4(C3)CC[NH2+]CC4)[nH]c2c(C)c1 ZINC001247009909 804638494 /nfs/dbraw/zinc/63/84/94/804638494.db2.gz DTBJKVGDXNSFDX-UHFFFAOYSA-N 2 1 269.392 3.427 20 0 CGADMP CCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014563 804642996 /nfs/dbraw/zinc/64/29/96/804642996.db2.gz KZARIZZWSLOHCW-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014563 804642999 /nfs/dbraw/zinc/64/29/99/804642999.db2.gz KZARIZZWSLOHCW-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016513 804644503 /nfs/dbraw/zinc/64/45/03/804644503.db2.gz WKLXIOVIEZYCMN-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016513 804644506 /nfs/dbraw/zinc/64/45/06/804644506.db2.gz WKLXIOVIEZYCMN-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+](Cc1csc(Cl)c1)CC1CC[NH+](C)CC1 ZINC001142769007 804766096 /nfs/dbraw/zinc/76/60/96/804766096.db2.gz MQLXCGDJIXXYKK-UHFFFAOYSA-N 2 1 272.845 3.175 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(O)c2C)CC1 ZINC001144120269 804939707 /nfs/dbraw/zinc/93/97/07/804939707.db2.gz GLZIRZCBVXBIGT-UHFFFAOYSA-N 2 1 290.451 3.397 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(O)c2C)CC1 ZINC001144120269 804939709 /nfs/dbraw/zinc/93/97/09/804939709.db2.gz GLZIRZCBVXBIGT-UHFFFAOYSA-N 2 1 290.451 3.397 20 0 CGADMP c1cc(C2CC2)cc(N2CCCC[C@H]2C2CC[NH2+]CC2)[nH+]1 ZINC001165322247 806993395 /nfs/dbraw/zinc/99/33/95/806993395.db2.gz ALZAJGSWGKXIFT-KRWDZBQOSA-N 2 1 285.435 3.318 20 0 CGADMP Cc1cccc2cc[nH+]c(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c12 ZINC001165436689 807003257 /nfs/dbraw/zinc/00/32/57/807003257.db2.gz UGWXRANXRRLQBM-LSDHHAIUSA-N 2 1 299.393 3.056 20 0 CGADMP CCC[C@@H](CC)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001257259599 807075536 /nfs/dbraw/zinc/07/55/36/807075536.db2.gz NQYAXUVPVKSXGC-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H](CC)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001257259599 807075545 /nfs/dbraw/zinc/07/55/45/807075545.db2.gz NQYAXUVPVKSXGC-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H](CC)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001257259599 807075548 /nfs/dbraw/zinc/07/55/48/807075548.db2.gz NQYAXUVPVKSXGC-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H](CC)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001257259599 807075559 /nfs/dbraw/zinc/07/55/59/807075559.db2.gz NQYAXUVPVKSXGC-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H](CC)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001257272352 807085063 /nfs/dbraw/zinc/08/50/63/807085063.db2.gz WQUHAOJMBWMOBP-OAHLLOKOSA-N 2 1 290.455 3.231 20 0 CGADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257350010 807116995 /nfs/dbraw/zinc/11/69/95/807116995.db2.gz IKFGKZQTBHDMRW-HDICACEKSA-N 2 1 284.447 3.301 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257350010 807117000 /nfs/dbraw/zinc/11/70/00/807117000.db2.gz IKFGKZQTBHDMRW-HDICACEKSA-N 2 1 284.447 3.301 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257350010 807117005 /nfs/dbraw/zinc/11/70/05/807117005.db2.gz IKFGKZQTBHDMRW-HDICACEKSA-N 2 1 284.447 3.301 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257350010 807117008 /nfs/dbraw/zinc/11/70/08/807117008.db2.gz IKFGKZQTBHDMRW-HDICACEKSA-N 2 1 284.447 3.301 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCCC4)C[C@@H]3C2)cc1 ZINC001257350010 807117011 /nfs/dbraw/zinc/11/70/11/807117011.db2.gz IKFGKZQTBHDMRW-HDICACEKSA-N 2 1 284.447 3.301 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257475731 807175050 /nfs/dbraw/zinc/17/50/50/807175050.db2.gz DINVRRUKRABCSC-XLAORIBOSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257475731 807175052 /nfs/dbraw/zinc/17/50/52/807175052.db2.gz DINVRRUKRABCSC-XLAORIBOSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001257475731 807175055 /nfs/dbraw/zinc/17/50/55/807175055.db2.gz DINVRRUKRABCSC-XLAORIBOSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001257475731 807175057 /nfs/dbraw/zinc/17/50/57/807175057.db2.gz DINVRRUKRABCSC-XLAORIBOSA-N 2 1 296.499 3.244 20 0 CGADMP CCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001257505757 807184244 /nfs/dbraw/zinc/18/42/44/807184244.db2.gz YJZNKXQNPBESCB-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001257505757 807184250 /nfs/dbraw/zinc/18/42/50/807184250.db2.gz YJZNKXQNPBESCB-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1[C@@H]1CCCSC1 ZINC001257676259 807210631 /nfs/dbraw/zinc/21/06/31/807210631.db2.gz AHTQDUCDBDYBMZ-JKSUJKDBSA-N 2 1 282.497 3.222 20 0 CGADMP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2[nH]c[nH+]c2c1 ZINC001167626249 807219181 /nfs/dbraw/zinc/21/91/81/807219181.db2.gz BGCCKOMUUUGFKG-UHFFFAOYSA-N 2 1 272.396 3.048 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(N)cc[nH+]c2c1 ZINC001167755008 807243520 /nfs/dbraw/zinc/24/35/20/807243520.db2.gz YKBUNWKLQVRQHC-AWEZNQCLSA-N 2 1 298.434 3.493 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1ccncc1 ZINC001167826034 807256292 /nfs/dbraw/zinc/25/62/92/807256292.db2.gz MBUGCUWCIRBABS-MRXNPFEDSA-N 2 1 277.456 3.066 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1cscn1 ZINC001167833331 807257673 /nfs/dbraw/zinc/25/76/73/807257673.db2.gz AGAVUJLMWPRNTD-CYBMUJFWSA-N 2 1 269.458 3.085 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cscn1 ZINC001167833331 807257679 /nfs/dbraw/zinc/25/76/79/807257679.db2.gz AGAVUJLMWPRNTD-CYBMUJFWSA-N 2 1 269.458 3.085 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258067805 807288052 /nfs/dbraw/zinc/28/80/52/807288052.db2.gz UTXKOQUKZRCFHK-TWMKSMIVSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258067805 807288054 /nfs/dbraw/zinc/28/80/54/807288054.db2.gz UTXKOQUKZRCFHK-TWMKSMIVSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258067805 807288055 /nfs/dbraw/zinc/28/80/55/807288055.db2.gz UTXKOQUKZRCFHK-TWMKSMIVSA-N 2 1 266.473 3.331 20 0 CGADMP FC1(F)CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962385 807288691 /nfs/dbraw/zinc/28/86/91/807288691.db2.gz XFTRDHVYTAJADX-WZYMTQMTSA-N 2 1 298.421 3.417 20 0 CGADMP CCCCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965448 807288918 /nfs/dbraw/zinc/28/89/18/807288918.db2.gz GDALZFLZAHHMNC-AYHJJNSGSA-N 2 1 294.483 3.188 20 0 CGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC3(CCC3)C1)C2 ZINC001167975138 807289991 /nfs/dbraw/zinc/28/99/91/807289991.db2.gz IJKLBJQRIMCUQD-ZXFUBFMLSA-N 2 1 274.452 3.314 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982050 807291546 /nfs/dbraw/zinc/29/15/46/807291546.db2.gz UUCHBXMTEGVBIN-HYCWQLOCSA-N 2 1 276.468 3.416 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995111 807295438 /nfs/dbraw/zinc/29/54/38/807295438.db2.gz WQMRIBGOUXJCTH-SUQXETJPSA-N 2 1 276.468 3.370 20 0 CGADMP CC(C)C[N@@H+]([C@H](C)Cc1ccco1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258183237 807347132 /nfs/dbraw/zinc/34/71/32/807347132.db2.gz KNAUUOQXNGHGOM-BZUAXINKSA-N 2 1 278.440 3.439 20 0 CGADMP CSCC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258209659 807365797 /nfs/dbraw/zinc/36/57/97/807365797.db2.gz QWGVDLMBYYZVBD-UMVBOHGHSA-N 2 1 270.486 3.252 20 0 CGADMP CSCC[C@@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258222608 807373867 /nfs/dbraw/zinc/37/38/67/807373867.db2.gz CAPODGGRJWKOKV-OWCLPIDISA-N 2 1 284.513 3.467 20 0 CGADMP CSCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258222608 807373876 /nfs/dbraw/zinc/37/38/76/807373876.db2.gz CAPODGGRJWKOKV-OWCLPIDISA-N 2 1 284.513 3.467 20 0 CGADMP CSCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258222608 807373884 /nfs/dbraw/zinc/37/38/84/807373884.db2.gz CAPODGGRJWKOKV-OWCLPIDISA-N 2 1 284.513 3.467 20 0 CGADMP CCCCCC[NH+]1CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168324261 807383477 /nfs/dbraw/zinc/38/34/77/807383477.db2.gz MDHLEDSEKZDJTD-UHFFFAOYSA-N 2 1 295.515 3.057 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001168323188 807383885 /nfs/dbraw/zinc/38/38/85/807383885.db2.gz UGBBTHWTMRIUBM-PNESKVBLSA-N 2 1 278.362 3.134 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCc3c(F)cccc3C2)CC1 ZINC001168327678 807385577 /nfs/dbraw/zinc/38/55/77/807385577.db2.gz RALPMCPEJYHBQY-UHFFFAOYSA-N 2 1 276.399 3.057 20 0 CGADMP Clc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC001168356258 807391526 /nfs/dbraw/zinc/39/15/26/807391526.db2.gz MQSFXGPCIWDEQI-UHFFFAOYSA-N 2 1 284.856 3.366 20 0 CGADMP CC1(C)C[N@H+](C2CC[NH+](CC3CC3)CC2)CCC1(F)F ZINC001168373784 807396379 /nfs/dbraw/zinc/39/63/79/807396379.db2.gz UQIXTXOXHRZPOJ-UHFFFAOYSA-N 2 1 286.410 3.228 20 0 CGADMP FC1CC2(C1)CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168387559 807400135 /nfs/dbraw/zinc/40/01/35/807400135.db2.gz KFPBUEHGGUTTMW-UHFFFAOYSA-N 2 1 294.458 3.465 20 0 CGADMP FC1CC2(C1)CCC[N@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168387559 807400141 /nfs/dbraw/zinc/40/01/41/807400141.db2.gz KFPBUEHGGUTTMW-UHFFFAOYSA-N 2 1 294.458 3.465 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001168467474 807427019 /nfs/dbraw/zinc/42/70/19/807427019.db2.gz JYVJUHVMRCRCKL-RUGDWHBFSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001168467474 807427024 /nfs/dbraw/zinc/42/70/24/807427024.db2.gz JYVJUHVMRCRCKL-RUGDWHBFSA-N 2 1 290.426 3.362 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2cccc(F)c2)[C@H](C)C1 ZINC001168473754 807428928 /nfs/dbraw/zinc/42/89/28/807428928.db2.gz HJZMRZHQOFBINH-IIDMSEBBSA-N 2 1 292.442 3.465 20 0 CGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC001258604375 807502743 /nfs/dbraw/zinc/50/27/43/807502743.db2.gz BRQITTVVARYKBP-DLBZAZTESA-N 2 1 294.483 3.140 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168745232 807504064 /nfs/dbraw/zinc/50/40/64/807504064.db2.gz UYJKCNRDKGSZLT-HNNXBMFYSA-N 2 1 294.870 3.471 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1cccnc1 ZINC001258615233 807511135 /nfs/dbraw/zinc/51/11/35/807511135.db2.gz FWQLSCSZQGQRRV-IRXDYDNUSA-N 2 1 297.446 3.110 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC001258649537 807522200 /nfs/dbraw/zinc/52/22/00/807522200.db2.gz JZPIEDHVWWXFTG-KRWDZBQOSA-N 2 1 271.408 3.193 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1ccc(Cl)cc1)C2 ZINC001169095307 807573359 /nfs/dbraw/zinc/57/33/59/807573359.db2.gz PAXKVQSWEGYUAX-BJWYYQGGSA-N 2 1 292.854 3.487 20 0 CGADMP CCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001169101098 807575599 /nfs/dbraw/zinc/57/55/99/807575599.db2.gz OIXYRDYDVURLCS-QKDCVEJESA-N 2 1 250.430 3.314 20 0 CGADMP CCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169114066 807581916 /nfs/dbraw/zinc/58/19/16/807581916.db2.gz WBOYJLOFCXIZEY-YVSFHVDLSA-N 2 1 273.424 3.138 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001258740167 807585125 /nfs/dbraw/zinc/58/51/25/807585125.db2.gz MUCCYTIXDXGOHE-CZUORRHYSA-N 2 1 280.843 3.345 20 0 CGADMP Cc1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001169137228 807586990 /nfs/dbraw/zinc/58/69/90/807586990.db2.gz JDLVDLUXAAFJJF-CJNGLKHVSA-N 2 1 276.428 3.049 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001169143062 807591077 /nfs/dbraw/zinc/59/10/77/807591077.db2.gz XDCJKZSFODRQNM-OKYOBFRVSA-N 2 1 284.447 3.176 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001169143062 807591079 /nfs/dbraw/zinc/59/10/79/807591079.db2.gz XDCJKZSFODRQNM-OKYOBFRVSA-N 2 1 284.447 3.176 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001169143062 807591083 /nfs/dbraw/zinc/59/10/83/807591083.db2.gz XDCJKZSFODRQNM-OKYOBFRVSA-N 2 1 284.447 3.176 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146117 807592661 /nfs/dbraw/zinc/59/26/61/807592661.db2.gz OSXSJOQZJYLDAV-NRSFXHEJSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146117 807592665 /nfs/dbraw/zinc/59/26/65/807592665.db2.gz OSXSJOQZJYLDAV-NRSFXHEJSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146117 807592671 /nfs/dbraw/zinc/59/26/71/807592671.db2.gz OSXSJOQZJYLDAV-NRSFXHEJSA-N 2 1 288.410 3.240 20 0 CGADMP CCCN1CCC([N@@H+](CC)Cc2cccs2)CC1 ZINC001258775907 807606480 /nfs/dbraw/zinc/60/64/80/807606480.db2.gz JMAZREXTSNBXNJ-UHFFFAOYSA-N 2 1 266.454 3.444 20 0 CGADMP CCC[NH+]1CCC([N@@H+](CC)Cc2cccs2)CC1 ZINC001258775907 807606488 /nfs/dbraw/zinc/60/64/88/807606488.db2.gz JMAZREXTSNBXNJ-UHFFFAOYSA-N 2 1 266.454 3.444 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001169258814 807616700 /nfs/dbraw/zinc/61/67/00/807616700.db2.gz TZXBMWKVQAWXGC-GOSISDBHSA-N 2 1 288.435 3.014 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001169258814 807616705 /nfs/dbraw/zinc/61/67/05/807616705.db2.gz TZXBMWKVQAWXGC-GOSISDBHSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001258825438 807640110 /nfs/dbraw/zinc/64/01/10/807640110.db2.gz CSKUGEMPKBDDNL-CRAIPNDOSA-N 2 1 294.483 3.140 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC001261254984 807721836 /nfs/dbraw/zinc/72/18/36/807721836.db2.gz IQEOCTWQGOYUCE-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n(C2CC2)c1 ZINC001261255155 807722054 /nfs/dbraw/zinc/72/20/54/807722054.db2.gz ORUMCCHXEMHNCK-MRXNPFEDSA-N 2 1 287.451 3.131 20 0 CGADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n(C2CC2)c1 ZINC001261255155 807722057 /nfs/dbraw/zinc/72/20/57/807722057.db2.gz ORUMCCHXEMHNCK-MRXNPFEDSA-N 2 1 287.451 3.131 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC001261492432 807751070 /nfs/dbraw/zinc/75/10/70/807751070.db2.gz CVNAAAGNLCYHEL-SJORKVTESA-N 2 1 260.425 3.198 20 0 CGADMP CC(C)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262379269 807863550 /nfs/dbraw/zinc/86/35/50/807863550.db2.gz WIUOGWKHXOYLGD-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001262379421 807863681 /nfs/dbraw/zinc/86/36/81/807863681.db2.gz ZVLMGBDOIDFQAD-KKUMJFAQSA-N 2 1 278.465 3.219 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@H](CCC[NH3+])C3)C[C@@H]21 ZINC001170736254 807893735 /nfs/dbraw/zinc/89/37/35/807893735.db2.gz IYPUMFLJOBKLRW-LVQVYYBASA-N 2 1 264.457 3.262 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@@H+](CC3CC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170738835 807894977 /nfs/dbraw/zinc/89/49/77/807894977.db2.gz PDPNKIXOXPVXSC-YQLLOFTFSA-N 2 1 276.468 3.403 20 0 CGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCCOCC1 ZINC001170776413 807905167 /nfs/dbraw/zinc/90/51/67/807905167.db2.gz RBEVSAZRRLNAIL-INIZCTEOSA-N 2 1 270.461 3.047 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170903184 807929795 /nfs/dbraw/zinc/92/97/95/807929795.db2.gz UCDOWDKFHYYJMZ-GJZGRUSLSA-N 2 1 292.854 3.271 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170957195 807945355 /nfs/dbraw/zinc/94/53/55/807945355.db2.gz LREAHVZZNCDIMF-INIZCTEOSA-N 2 1 292.442 3.395 20 0 CGADMP Fc1cccc2c1C[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171005988 807959307 /nfs/dbraw/zinc/95/93/07/807959307.db2.gz VCKQPIUXHDLCHV-OAHLLOKOSA-N 2 1 299.393 3.219 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171024555 807962955 /nfs/dbraw/zinc/96/29/55/807962955.db2.gz JTSCZLNZRIMITF-GJZGRUSLSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171098087 807982816 /nfs/dbraw/zinc/98/28/16/807982816.db2.gz BPWOWELNZAPZDI-SJORKVTESA-N 2 1 292.854 3.271 20 0 CGADMP Cc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001171558015 808095729 /nfs/dbraw/zinc/09/57/29/808095729.db2.gz ZLXYPWZOAIWJNB-QGZVFWFLSA-N 2 1 284.447 3.069 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH+]1CCC([N@@H+](C)C3CC3)CC1)C2 ZINC001171575707 808102014 /nfs/dbraw/zinc/10/20/14/808102014.db2.gz XOPDJWFWGMAWTM-IBGZPJMESA-N 2 1 298.474 3.411 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171578637 808104086 /nfs/dbraw/zinc/10/40/86/808104086.db2.gz LXEQEZCTAFCSRZ-GOSISDBHSA-N 2 1 286.463 3.268 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]C2(c3cccnc3)CC2)CC1(C)C ZINC001171623520 808106856 /nfs/dbraw/zinc/10/68/56/808106856.db2.gz BJCORATYEAYJHD-UHFFFAOYSA-N 2 1 287.451 3.312 20 0 CGADMP CCO[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171637846 808109382 /nfs/dbraw/zinc/10/93/82/808109382.db2.gz PRIQAGKQNOCIJW-OAHLLOKOSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171631755 808109786 /nfs/dbraw/zinc/10/97/86/808109786.db2.gz NIIGDAKBDWISKR-RDTXWAMCSA-N 2 1 296.499 3.121 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1(C)C ZINC001171641405 808111412 /nfs/dbraw/zinc/11/14/12/808111412.db2.gz GIYBJRSIQGWCCZ-OBJOEFQTSA-N 2 1 268.420 3.070 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC001171659893 808114161 /nfs/dbraw/zinc/11/41/61/808114161.db2.gz GAEHUSZVZIHRCA-FUHWJXTLSA-N 2 1 274.452 3.390 20 0 CGADMP Cc1csc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172102763 808174007 /nfs/dbraw/zinc/17/40/07/808174007.db2.gz OUQUUUVJTPFKIC-FQUUOJAGSA-N 2 1 279.453 3.117 20 0 CGADMP Cc1csc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172102763 808174009 /nfs/dbraw/zinc/17/40/09/808174009.db2.gz OUQUUUVJTPFKIC-FQUUOJAGSA-N 2 1 279.453 3.117 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172107026 808175729 /nfs/dbraw/zinc/17/57/29/808175729.db2.gz SINUXNKMGOWLML-YYIAUSFCSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172107026 808175733 /nfs/dbraw/zinc/17/57/33/808175733.db2.gz SINUXNKMGOWLML-YYIAUSFCSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172107025 808176150 /nfs/dbraw/zinc/17/61/50/808176150.db2.gz SINUXNKMGOWLML-YVSFHVDLSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172107025 808176152 /nfs/dbraw/zinc/17/61/52/808176152.db2.gz SINUXNKMGOWLML-YVSFHVDLSA-N 2 1 273.424 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1c(F)cccc1F)C2 ZINC001172113049 808180164 /nfs/dbraw/zinc/18/01/64/808180164.db2.gz FPWYNYAFMLTHKI-BTTYYORXSA-N 2 1 294.389 3.112 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3cccc(C[NH3+])c31)C2 ZINC001172117563 808180429 /nfs/dbraw/zinc/18/04/29/808180429.db2.gz MLUBESOFWITDNM-BJWYYQGGSA-N 2 1 283.419 3.288 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3ccncc3)CC1)C2 ZINC001172120511 808183155 /nfs/dbraw/zinc/18/31/55/808183155.db2.gz FZFCGVZUAXNJES-BWTSREIZSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3ccncc3)CC1)C2 ZINC001172120511 808183159 /nfs/dbraw/zinc/18/31/59/808183159.db2.gz FZFCGVZUAXNJES-BWTSREIZSA-N 2 1 299.462 3.276 20 0 CGADMP CC1(C)C[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172279164 808212038 /nfs/dbraw/zinc/21/20/38/808212038.db2.gz BYURLYDHUUDMLY-DJIMGWMZSA-N 2 1 294.483 3.459 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001172321595 808230339 /nfs/dbraw/zinc/23/03/39/808230339.db2.gz MBEJRQQSPHPHSG-HOTGVXAUSA-N 2 1 278.440 3.041 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@@H+](CCN)Cc1ccccc1 ZINC001172321595 808230342 /nfs/dbraw/zinc/23/03/42/808230342.db2.gz MBEJRQQSPHPHSG-HOTGVXAUSA-N 2 1 278.440 3.041 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172333282 808237329 /nfs/dbraw/zinc/23/73/29/808237329.db2.gz FPJVPLJKRYZVDA-ARFHVFGLSA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172333282 808237331 /nfs/dbraw/zinc/23/73/31/808237331.db2.gz FPJVPLJKRYZVDA-ARFHVFGLSA-N 2 1 282.472 3.187 20 0 CGADMP CCOCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172421656 808303667 /nfs/dbraw/zinc/30/36/67/808303667.db2.gz UTIVYHXHJHDTKP-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172461139 808332081 /nfs/dbraw/zinc/33/20/81/808332081.db2.gz AFGORWMDRMVARV-LUKYLMHMSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172461139 808332087 /nfs/dbraw/zinc/33/20/87/808332087.db2.gz AFGORWMDRMVARV-LUKYLMHMSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172471477 808337892 /nfs/dbraw/zinc/33/78/92/808337892.db2.gz KWOQGOXBQGJNQD-DLBZAZTESA-N 2 1 284.488 3.279 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172549560 808378629 /nfs/dbraw/zinc/37/86/29/808378629.db2.gz QHTGJQDWCWRFAK-QZTJIDSGSA-N 2 1 295.430 3.468 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172549560 808378636 /nfs/dbraw/zinc/37/86/36/808378636.db2.gz QHTGJQDWCWRFAK-QZTJIDSGSA-N 2 1 295.430 3.468 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([NH+]3CCC([NH+]4CCC4)CC3)C2)cc1 ZINC001172565714 808392493 /nfs/dbraw/zinc/39/24/93/808392493.db2.gz MAJFTCGUWMREKH-IEBWSBKVSA-N 2 1 284.447 3.493 20 0 CGADMP CCC[NH+](CCC)CC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172643921 808406702 /nfs/dbraw/zinc/40/67/02/808406702.db2.gz FSMCYDNCHCVHKV-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172819697 808444767 /nfs/dbraw/zinc/44/47/67/808444767.db2.gz JXVINMVXXLGZJJ-FAEJEUNOSA-N 2 1 274.452 3.315 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172842551 808458157 /nfs/dbraw/zinc/45/81/57/808458157.db2.gz RGBRTBDKUPTHCA-CHWSQXEVSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001172849599 808461703 /nfs/dbraw/zinc/46/17/03/808461703.db2.gz OSJZOFRYTSDGPO-HSMVNMDESA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001172849599 808461705 /nfs/dbraw/zinc/46/17/05/808461705.db2.gz OSJZOFRYTSDGPO-HSMVNMDESA-N 2 1 298.833 3.340 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172953563 808494469 /nfs/dbraw/zinc/49/44/69/808494469.db2.gz PTTRRAOJDUWZNQ-IAGOWNOFSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC001173108597 808512043 /nfs/dbraw/zinc/51/20/43/808512043.db2.gz OQZYSMFMAKJONG-FCCDEINASA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](C)C[C@H]2CF)CC1 ZINC001173110324 808513536 /nfs/dbraw/zinc/51/35/36/808513536.db2.gz ROYDOKVUZRHRDJ-LBDPXKHJSA-N 2 1 270.436 3.319 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC3(C2)CCOCC3)CC1 ZINC001173112680 808513635 /nfs/dbraw/zinc/51/36/35/808513635.db2.gz ZGFBFLWAHQMYJQ-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC001173252140 808559167 /nfs/dbraw/zinc/55/91/67/808559167.db2.gz IMBWBUGMCJHOBX-OAHLLOKOSA-N 2 1 274.452 3.206 20 0 CGADMP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280568 808583055 /nfs/dbraw/zinc/58/30/55/808583055.db2.gz UUIHXODSWMLABZ-VXNCWWDNSA-N 2 1 299.462 3.024 20 0 CGADMP c1ccc2c(Nc3cc[nH+]c(N4CCCC4)c3)cc[nH+]c2c1 ZINC001174038837 808836934 /nfs/dbraw/zinc/83/69/34/808836934.db2.gz JJRXFOXELFSTBR-UHFFFAOYSA-N 2 1 290.370 3.396 20 0 CGADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001275889516 808973846 /nfs/dbraw/zinc/97/38/46/808973846.db2.gz UNXWFLHTPJTRJJ-HDICACEKSA-N 2 1 299.462 3.168 20 0 CGADMP c1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001275889516 808973850 /nfs/dbraw/zinc/97/38/50/808973850.db2.gz UNXWFLHTPJTRJJ-HDICACEKSA-N 2 1 299.462 3.168 20 0 CGADMP c1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001275889516 808973852 /nfs/dbraw/zinc/97/38/52/808973852.db2.gz UNXWFLHTPJTRJJ-HDICACEKSA-N 2 1 299.462 3.168 20 0 CGADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)co1 ZINC001275945840 808979588 /nfs/dbraw/zinc/97/95/88/808979588.db2.gz LLIDAKYLUDISCK-CALCHBBNSA-N 2 1 288.435 3.366 20 0 CGADMP c1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)co1 ZINC001275945840 808979591 /nfs/dbraw/zinc/97/95/91/808979591.db2.gz LLIDAKYLUDISCK-CALCHBBNSA-N 2 1 288.435 3.366 20 0 CGADMP c1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)co1 ZINC001275945840 808979595 /nfs/dbraw/zinc/97/95/95/808979595.db2.gz LLIDAKYLUDISCK-CALCHBBNSA-N 2 1 288.435 3.366 20 0 CGADMP C[C@H]1C[C@H]1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276035611 808986123 /nfs/dbraw/zinc/98/61/23/808986123.db2.gz WYPZOBOORSMKTM-RDJZCZTQSA-N 2 1 284.447 3.122 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)F)cc1 ZINC001276155014 808990127 /nfs/dbraw/zinc/99/01/27/808990127.db2.gz PLWKTNKBBFJYIF-AGUYFDCRSA-N 2 1 296.361 3.003 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)F)cc1 ZINC001276155014 808990130 /nfs/dbraw/zinc/99/01/30/808990130.db2.gz PLWKTNKBBFJYIF-AGUYFDCRSA-N 2 1 296.361 3.003 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001276156821 808991037 /nfs/dbraw/zinc/99/10/37/808991037.db2.gz ZMEPYSVBKRHCCC-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001276156821 808991040 /nfs/dbraw/zinc/99/10/40/808991040.db2.gz ZMEPYSVBKRHCCC-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001276156821 808991043 /nfs/dbraw/zinc/99/10/43/808991043.db2.gz ZMEPYSVBKRHCCC-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)oc1C ZINC001276174694 808992004 /nfs/dbraw/zinc/99/20/04/808992004.db2.gz BVBOAAATKAGLIA-QGZVFWFLSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)oc1C ZINC001276174694 808992007 /nfs/dbraw/zinc/99/20/07/808992007.db2.gz BVBOAAATKAGLIA-QGZVFWFLSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)oc1C ZINC001276174694 808992011 /nfs/dbraw/zinc/99/20/11/808992011.db2.gz BVBOAAATKAGLIA-QGZVFWFLSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)oc1C ZINC001276174694 808992015 /nfs/dbraw/zinc/99/20/15/808992015.db2.gz BVBOAAATKAGLIA-QGZVFWFLSA-N 2 1 276.424 3.204 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)o3)CC2)C1 ZINC001276462110 809011442 /nfs/dbraw/zinc/01/14/42/809011442.db2.gz PZQIKDMHBGPIBH-UHFFFAOYSA-N 2 1 282.815 3.241 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)o3)CC2)C1 ZINC001276462110 809011449 /nfs/dbraw/zinc/01/14/49/809011449.db2.gz PZQIKDMHBGPIBH-UHFFFAOYSA-N 2 1 282.815 3.241 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001276478688 809012475 /nfs/dbraw/zinc/01/24/75/809012475.db2.gz LTTJKKBJGVTWQV-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001276478688 809012482 /nfs/dbraw/zinc/01/24/82/809012482.db2.gz LTTJKKBJGVTWQV-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCc3cccc(F)c3)C2)C1 ZINC001276478688 809012489 /nfs/dbraw/zinc/01/24/89/809012489.db2.gz LTTJKKBJGVTWQV-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCc3cccc(F)c3)C2)C1 ZINC001276478688 809012496 /nfs/dbraw/zinc/01/24/96/809012496.db2.gz LTTJKKBJGVTWQV-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)ccc21 ZINC001276839684 809035241 /nfs/dbraw/zinc/03/52/41/809035241.db2.gz CTKYHJGUFXFDFM-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)ccc21 ZINC001276839684 809035247 /nfs/dbraw/zinc/03/52/47/809035247.db2.gz CTKYHJGUFXFDFM-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2cc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC001276839684 809035251 /nfs/dbraw/zinc/03/52/51/809035251.db2.gz CTKYHJGUFXFDFM-IBGZPJMESA-N 2 1 297.446 3.096 20 0 CGADMP CC[NH+](CC)c1ccc(Nc2cc[nH+]cc2C)cc1 ZINC001174538029 809069419 /nfs/dbraw/zinc/06/94/19/809069419.db2.gz ZAJBFLZSYIYOGP-UHFFFAOYSA-N 2 1 255.365 3.402 20 0 CGADMP FCCCC[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001278205173 809119483 /nfs/dbraw/zinc/11/94/83/809119483.db2.gz BYVZGRILOGFYJF-IYBDPMFKSA-N 2 1 282.447 3.323 20 0 CGADMP FCCCC[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001278205173 809119486 /nfs/dbraw/zinc/11/94/86/809119486.db2.gz BYVZGRILOGFYJF-IYBDPMFKSA-N 2 1 282.447 3.323 20 0 CGADMP FCCCC[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001278205173 809119487 /nfs/dbraw/zinc/11/94/87/809119487.db2.gz BYVZGRILOGFYJF-IYBDPMFKSA-N 2 1 282.447 3.323 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(Nc2cc[nH+]c(C)c2)cc1 ZINC001174655660 809119559 /nfs/dbraw/zinc/11/95/59/809119559.db2.gz NZXWQPVGRRSOLB-UHFFFAOYSA-N 2 1 264.332 3.050 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202214 809307450 /nfs/dbraw/zinc/30/74/50/809307450.db2.gz CUEPIVGRJOCIKO-VKJFTORMSA-N 2 1 288.410 3.087 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202214 809307456 /nfs/dbraw/zinc/30/74/56/809307456.db2.gz CUEPIVGRJOCIKO-VKJFTORMSA-N 2 1 288.410 3.087 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202214 809307464 /nfs/dbraw/zinc/30/74/64/809307464.db2.gz CUEPIVGRJOCIKO-VKJFTORMSA-N 2 1 288.410 3.087 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CCN1c1cc[nH+]cc1 ZINC001175774830 809540399 /nfs/dbraw/zinc/54/03/99/809540399.db2.gz KKOYUGJBKZAPHP-OAHLLOKOSA-N 2 1 273.424 3.172 20 0 CGADMP CC[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC001177222858 809787987 /nfs/dbraw/zinc/78/79/87/809787987.db2.gz RZJUDJCTIZSFCR-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001177256848 809790474 /nfs/dbraw/zinc/79/04/74/809790474.db2.gz OKSODPRHUGMTML-ZBFHGGJFSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC001177972715 809836701 /nfs/dbraw/zinc/83/67/01/809836701.db2.gz VGNRBXCYFUFVTF-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP CCO[C@@H](C[NH2+]C1CCC(C(C)(C)C)CC1)C[NH+](C)C ZINC001179559554 809929344 /nfs/dbraw/zinc/92/93/44/809929344.db2.gz LRAVTFUREJFBGL-GPANFISMSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001179818562 809948890 /nfs/dbraw/zinc/94/88/90/809948890.db2.gz YXDIOOQHEMUNBU-IIAWOOMASA-N 2 1 278.827 3.078 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc4ccccc34)[C@@H]2C1 ZINC001179817224 809949125 /nfs/dbraw/zinc/94/91/25/809949125.db2.gz PAHXJTUUAGYUIA-APHBMKBZSA-N 2 1 286.444 3.331 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](C)c1cc(F)cc(F)c1 ZINC001181506329 810056837 /nfs/dbraw/zinc/05/68/37/810056837.db2.gz QESRBXRDKMZJJA-ZDUSSCGKSA-N 2 1 284.394 3.342 20 0 CGADMP COC1CCC(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC001181934255 810084953 /nfs/dbraw/zinc/08/49/53/810084953.db2.gz SLWMPZBQHIXLPE-ADKAHSJRSA-N 2 1 296.499 3.292 20 0 CGADMP CSc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)o1 ZINC001184364667 810196005 /nfs/dbraw/zinc/19/60/05/810196005.db2.gz WGIBTGXFPCVJIK-UHFFFAOYSA-N 2 1 291.420 3.115 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001191455367 810716160 /nfs/dbraw/zinc/71/61/60/810716160.db2.gz YNSCPGIWLIVHMN-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C12CCCCC2 ZINC001194092392 811013835 /nfs/dbraw/zinc/01/38/35/811013835.db2.gz OYNXHIPIYMXBBH-GVDBMIGSSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC001194881785 811161516 /nfs/dbraw/zinc/16/15/16/811161516.db2.gz DCNRYXHARPZBIQ-ROUUACIJSA-N 2 1 297.531 3.018 20 0 CGADMP C[C@H]1CCC[C@@H](CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001196788496 811367996 /nfs/dbraw/zinc/36/79/96/811367996.db2.gz BQTITFBUQGYXGU-NXOAAHMSSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H]1CCC[C@@H](CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001196788496 811368006 /nfs/dbraw/zinc/36/80/06/811368006.db2.gz BQTITFBUQGYXGU-NXOAAHMSSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H]1CCC[C@@H](CC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001196788496 811368018 /nfs/dbraw/zinc/36/80/18/811368018.db2.gz BQTITFBUQGYXGU-NXOAAHMSSA-N 2 1 264.457 3.086 20 0 CGADMP CC[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCCC1 ZINC001199188897 811563384 /nfs/dbraw/zinc/56/33/84/811563384.db2.gz GLMNHNYTKRMWGI-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201510316 811875273 /nfs/dbraw/zinc/87/52/73/811875273.db2.gz ZPFCLAQXBSGILF-RRFJBIMHSA-N 2 1 293.480 3.085 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201516801 811878145 /nfs/dbraw/zinc/87/81/45/811878145.db2.gz CBTFGDWIGKMTHP-QXAKKESOSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201516801 811878153 /nfs/dbraw/zinc/87/81/53/811878153.db2.gz CBTFGDWIGKMTHP-QXAKKESOSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201516801 811878161 /nfs/dbraw/zinc/87/81/61/811878161.db2.gz CBTFGDWIGKMTHP-QXAKKESOSA-N 2 1 286.463 3.486 20 0 CGADMP CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201717253 811945742 /nfs/dbraw/zinc/94/57/42/811945742.db2.gz IPSQGVJEGRFBFL-QZTJIDSGSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201717253 811945748 /nfs/dbraw/zinc/94/57/48/811945748.db2.gz IPSQGVJEGRFBFL-QZTJIDSGSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201717253 811945752 /nfs/dbraw/zinc/94/57/52/811945752.db2.gz IPSQGVJEGRFBFL-QZTJIDSGSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cc1C ZINC001203031325 812219804 /nfs/dbraw/zinc/21/98/04/812219804.db2.gz GZQXWKOPVBQQOQ-UHFFFAOYSA-N 2 1 262.441 3.371 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C)c1C ZINC001203726465 812443604 /nfs/dbraw/zinc/44/36/04/812443604.db2.gz CIRPFFPMOLVKJG-UHFFFAOYSA-N 2 1 292.467 3.476 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(O)c2)CC1 ZINC001203865513 812477380 /nfs/dbraw/zinc/47/73/80/812477380.db2.gz BINMDUDQLVPCPQ-UHFFFAOYSA-N 2 1 276.424 3.089 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(O)c2)CC1 ZINC001203865513 812477384 /nfs/dbraw/zinc/47/73/84/812477384.db2.gz BINMDUDQLVPCPQ-UHFFFAOYSA-N 2 1 276.424 3.089 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001204048303 812534578 /nfs/dbraw/zinc/53/45/78/812534578.db2.gz QXGOGIHQJZQKEL-UKRRQHHQSA-N 2 1 282.378 3.284 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCCCC2)[C@H](C)C1 ZINC001204247827 812585616 /nfs/dbraw/zinc/58/56/16/812585616.db2.gz CUCOVLUWTVQPQQ-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(OC)CCCCCC2)[C@H](C)C1 ZINC001204247827 812585619 /nfs/dbraw/zinc/58/56/19/812585619.db2.gz CUCOVLUWTVQPQQ-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(OC)CCCCCC2)[C@H](C)C1 ZINC001204247827 812585621 /nfs/dbraw/zinc/58/56/21/812585621.db2.gz CUCOVLUWTVQPQQ-IAGOWNOFSA-N 2 1 296.499 3.388 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001204289051 812600023 /nfs/dbraw/zinc/60/00/23/812600023.db2.gz MPWIKINIZJWFNI-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)[nH]c2ccccc21 ZINC001204293186 812603611 /nfs/dbraw/zinc/60/36/11/812603611.db2.gz WDNHGFACBNSITJ-UHFFFAOYSA-N 2 1 273.424 3.250 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)cc2)cc1 ZINC001204918595 812775826 /nfs/dbraw/zinc/77/58/26/812775826.db2.gz INLOXRKSWKXNFS-OWZKRDHZSA-N 2 1 292.426 3.299 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204939846 812788528 /nfs/dbraw/zinc/78/85/28/812788528.db2.gz UXFMGUPNMSTDNE-QGZVFWFLSA-N 2 1 260.425 3.166 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204939846 812788531 /nfs/dbraw/zinc/78/85/31/812788531.db2.gz UXFMGUPNMSTDNE-QGZVFWFLSA-N 2 1 260.425 3.166 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205001688 812818304 /nfs/dbraw/zinc/81/83/04/812818304.db2.gz WHBNNZNDXSYIQQ-AWFCHZOYSA-N 2 1 252.446 3.444 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C(C)C)c2)C1 ZINC001205009128 812822286 /nfs/dbraw/zinc/82/22/86/812822286.db2.gz HPYYVAGBFSRHDX-INIZCTEOSA-N 2 1 290.451 3.250 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C(C)C)c2)C1 ZINC001205009128 812822294 /nfs/dbraw/zinc/82/22/94/812822294.db2.gz HPYYVAGBFSRHDX-INIZCTEOSA-N 2 1 290.451 3.250 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCCCCOCc2ccccc2)CC1 ZINC001205094989 812860460 /nfs/dbraw/zinc/86/04/60/812860460.db2.gz SNAMPPPPVBNMEY-GOSISDBHSA-N 2 1 290.451 3.187 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117124 812874759 /nfs/dbraw/zinc/87/47/59/812874759.db2.gz LEQWKPUYCBQTJO-MRXNPFEDSA-N 2 1 276.424 3.095 20 0 CGADMP Cc1c(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1Cl ZINC001205123724 812876306 /nfs/dbraw/zinc/87/63/06/812876306.db2.gz FWPIOXCAYVGJJZ-CQSZACIVSA-N 2 1 266.816 3.270 20 0 CGADMP c1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001205164267 812893433 /nfs/dbraw/zinc/89/34/33/812893433.db2.gz BTFLJQUCQMFEKA-SJORKVTESA-N 2 1 258.409 3.356 20 0 CGADMP c1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001205164267 812893438 /nfs/dbraw/zinc/89/34/38/812893438.db2.gz BTFLJQUCQMFEKA-SJORKVTESA-N 2 1 258.409 3.356 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)c1 ZINC001205257831 812918481 /nfs/dbraw/zinc/91/84/81/812918481.db2.gz XPAKWMFFILKYEH-KRWDZBQOSA-N 2 1 260.425 3.315 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@](C)([NH3+])CC2)o1 ZINC001205255754 812918854 /nfs/dbraw/zinc/91/88/54/812918854.db2.gz KOJMNBJEBLUHGA-BBRMVZONSA-N 2 1 264.413 3.285 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205281542 812930064 /nfs/dbraw/zinc/93/00/64/812930064.db2.gz UNLDWQQXPZEBPZ-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2-c2ccncc2)CC1 ZINC001205288193 812931321 /nfs/dbraw/zinc/93/13/21/812931321.db2.gz HYMKKBQKOVEGED-LJQANCHMSA-N 2 1 295.430 3.452 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205287923 812932200 /nfs/dbraw/zinc/93/22/00/812932200.db2.gz DIYPSTQUPKYWCV-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1OC(C)C ZINC001205289370 812933778 /nfs/dbraw/zinc/93/37/78/812933778.db2.gz XCTADWPKYOAVIG-GOSISDBHSA-N 2 1 290.451 3.486 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1C ZINC001205296124 812935981 /nfs/dbraw/zinc/93/59/81/812935981.db2.gz HMABQHBYBYQNKH-KRWDZBQOSA-N 2 1 276.424 3.097 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205296910 812937864 /nfs/dbraw/zinc/93/78/64/812937864.db2.gz WVWACICJAHZSEC-INIZCTEOSA-N 2 1 278.465 3.420 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001205296404 812938143 /nfs/dbraw/zinc/93/81/43/812938143.db2.gz OKRNVZJNBJCEAT-KRWDZBQOSA-N 2 1 276.399 3.406 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303959 812941870 /nfs/dbraw/zinc/94/18/70/812941870.db2.gz LRFTYBUDFRGIKC-YPMHNXCESA-N 2 1 289.398 3.032 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205303611 812941882 /nfs/dbraw/zinc/94/18/82/812941882.db2.gz IPEVLPYCMVUCSR-BXUZGUMPSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205303611 812941889 /nfs/dbraw/zinc/94/18/89/812941889.db2.gz IPEVLPYCMVUCSR-BXUZGUMPSA-N 2 1 266.816 3.065 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205306553 812943396 /nfs/dbraw/zinc/94/33/96/812943396.db2.gz XFLDIXVUAGLHPL-CRAIPNDOSA-N 2 1 295.430 3.165 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205314856 812947719 /nfs/dbraw/zinc/94/77/19/812947719.db2.gz CTNCXUPNBNQEDR-ABAIWWIYSA-N 2 1 280.843 3.374 20 0 CGADMP Cc1nc2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc2s1 ZINC001205317352 812950247 /nfs/dbraw/zinc/95/02/47/812950247.db2.gz OCORHVFVHGSXDO-RISCZKNCSA-N 2 1 289.448 3.021 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205317749 812951018 /nfs/dbraw/zinc/95/10/18/812951018.db2.gz PVLLQAYCZJRAQM-HIFRSBDPSA-N 2 1 278.465 3.134 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318001 812951124 /nfs/dbraw/zinc/95/11/24/812951124.db2.gz RRTHZDMFALIZSZ-KBXCAEBGSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205319039 812952894 /nfs/dbraw/zinc/95/28/94/812952894.db2.gz XWOJOGLGAMNVPV-BEFAXECRSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001205332835 812960603 /nfs/dbraw/zinc/96/06/03/812960603.db2.gz UPMLPWAOOLOYQX-OAHLLOKOSA-N 2 1 292.426 3.442 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001205332835 812960613 /nfs/dbraw/zinc/96/06/13/812960613.db2.gz UPMLPWAOOLOYQX-OAHLLOKOSA-N 2 1 292.426 3.442 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001205546615 812999611 /nfs/dbraw/zinc/99/96/11/812999611.db2.gz XDVJXMYPIQKVPZ-GFCCVEGCSA-N 2 1 276.808 3.054 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)c21 ZINC001205559218 813003209 /nfs/dbraw/zinc/00/32/09/813003209.db2.gz OZNLYZYCISZGTK-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c3ccoc32)CC1 ZINC001205582092 813011604 /nfs/dbraw/zinc/01/16/04/813011604.db2.gz WSJAFJSPFLICJY-INIZCTEOSA-N 2 1 294.345 3.225 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2F)CC[C@@H]1C[NH3+] ZINC001205601336 813018103 /nfs/dbraw/zinc/01/81/03/813018103.db2.gz DPBJFRLABROCQL-GDBMZVCRSA-N 2 1 278.415 3.065 20 0 CGADMP CCOc1ccc(C)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205616252 813026516 /nfs/dbraw/zinc/02/65/16/813026516.db2.gz DXQQLOGYPAGKGK-HOTGVXAUSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC[C@@H]1C[NH3+] ZINC001205617145 813026657 /nfs/dbraw/zinc/02/66/57/813026657.db2.gz HTZVCVIYBKJYBV-KBXCAEBGSA-N 2 1 298.430 3.352 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(C)s1 ZINC001205615781 813027486 /nfs/dbraw/zinc/02/74/86/813027486.db2.gz AZBOWZBHEJLPSN-SMDDNHRTSA-N 2 1 266.454 3.172 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205618525 813028068 /nfs/dbraw/zinc/02/80/68/813028068.db2.gz WVQKGUWBXGREBV-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618189 813028997 /nfs/dbraw/zinc/02/89/97/813028997.db2.gz SKUWWXZNPBUJRT-JKSUJKDBSA-N 2 1 299.462 3.468 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CC[C@H]1C[NH3+] ZINC001205618099 813029332 /nfs/dbraw/zinc/02/93/32/813029332.db2.gz RKBWSIYLGKZQFO-KGLIPLIRSA-N 2 1 277.456 3.119 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c2c1 ZINC001205618933 813029855 /nfs/dbraw/zinc/02/98/55/813029855.db2.gz ZIXXYBXYTAVATM-HUUCEWRRSA-N 2 1 285.435 3.283 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1C ZINC001205625986 813032514 /nfs/dbraw/zinc/03/25/14/813032514.db2.gz DJSLSUHCECHYTG-DYVFJYSZSA-N 2 1 274.452 3.419 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205627387 813032622 /nfs/dbraw/zinc/03/26/22/813032622.db2.gz OWQFOMMHHVEUEI-WCQYABFASA-N 2 1 284.806 3.286 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)cc1F ZINC001205639287 813038345 /nfs/dbraw/zinc/03/83/45/813038345.db2.gz YMRSZQRVFHCPEK-YPMHNXCESA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3occc32)CC[C@H]1C[NH3+] ZINC001205653783 813041659 /nfs/dbraw/zinc/04/16/59/813041659.db2.gz VLKHCHDFOCVFPB-KGLIPLIRSA-N 2 1 272.392 3.240 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651424 813042153 /nfs/dbraw/zinc/04/21/53/813042153.db2.gz FDFJTFYEUVMCIZ-XJKSGUPXSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205654844 813043660 /nfs/dbraw/zinc/04/36/60/813043660.db2.gz XYJITKZYORTRIK-GXTWGEPZSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1CCCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001205662703 813046252 /nfs/dbraw/zinc/04/62/52/813046252.db2.gz DFTITDMNXIRNLF-GFCCVEGCSA-N 2 1 264.438 3.016 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205816758 813094493 /nfs/dbraw/zinc/09/44/93/813094493.db2.gz OCYJTVWCUAZUIW-DZGCQCFKSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001205816758 813094501 /nfs/dbraw/zinc/09/45/01/813094501.db2.gz OCYJTVWCUAZUIW-DZGCQCFKSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817836 813095699 /nfs/dbraw/zinc/09/56/99/813095699.db2.gz RNHIWJYXRNJOET-SUMWQHHRSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817836 813095706 /nfs/dbraw/zinc/09/57/06/813095706.db2.gz RNHIWJYXRNJOET-SUMWQHHRSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817836 813095717 /nfs/dbraw/zinc/09/57/17/813095717.db2.gz RNHIWJYXRNJOET-SUMWQHHRSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205841429 813104085 /nfs/dbraw/zinc/10/40/85/813104085.db2.gz JYUDQQXESYGIGF-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205841429 813104089 /nfs/dbraw/zinc/10/40/89/813104089.db2.gz JYUDQQXESYGIGF-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP CCc1cccc(C)c1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205851784 813108304 /nfs/dbraw/zinc/10/83/04/813108304.db2.gz BTLNHAAKSMZPDE-BBRMVZONSA-N 2 1 260.425 3.117 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205851784 813108306 /nfs/dbraw/zinc/10/83/06/813108306.db2.gz BTLNHAAKSMZPDE-BBRMVZONSA-N 2 1 260.425 3.117 20 0 CGADMP CCc1cccc(C)c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205851785 813108420 /nfs/dbraw/zinc/10/84/20/813108420.db2.gz BTLNHAAKSMZPDE-CJNGLKHVSA-N 2 1 260.425 3.117 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205851785 813108422 /nfs/dbraw/zinc/10/84/22/813108422.db2.gz BTLNHAAKSMZPDE-CJNGLKHVSA-N 2 1 260.425 3.117 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001205855609 813110423 /nfs/dbraw/zinc/11/04/23/813110423.db2.gz OFCQDPWIPCPODC-QGZVFWFLSA-N 2 1 276.399 3.046 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)C1(C)C ZINC001205863263 813112583 /nfs/dbraw/zinc/11/25/83/813112583.db2.gz NQYKWXPFUVBHNK-YUELXQCFSA-N 2 1 250.430 3.038 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(C)c1 ZINC001205901758 813124401 /nfs/dbraw/zinc/12/44/01/813124401.db2.gz GAOFZHKFQOOTOA-JKSUJKDBSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2cc(Cl)ccc2[nH]1 ZINC001205903689 813126772 /nfs/dbraw/zinc/12/67/72/813126772.db2.gz QSCWEGLNZYTBTR-NWDGAFQWSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912911 813129436 /nfs/dbraw/zinc/12/94/36/813129436.db2.gz DWQSVDGABYILOU-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccc(Cl)cc2[nH]1 ZINC001205914548 813130657 /nfs/dbraw/zinc/13/06/57/813130657.db2.gz MWCCISPUKZPIDF-DGCLKSJQSA-N 2 1 291.826 3.381 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205923161 813135378 /nfs/dbraw/zinc/13/53/78/813135378.db2.gz JZCIJHYRDHRJQM-STQMWFEESA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205923161 813135384 /nfs/dbraw/zinc/13/53/84/813135384.db2.gz JZCIJHYRDHRJQM-STQMWFEESA-N 2 1 296.842 3.298 20 0 CGADMP CC(C)C[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccccc1 ZINC001205923544 813135800 /nfs/dbraw/zinc/13/58/00/813135800.db2.gz OZMWLHJOHNHHJU-UHFFFAOYSA-N 2 1 297.446 3.250 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c2ccccc12 ZINC001205931012 813139502 /nfs/dbraw/zinc/13/95/02/813139502.db2.gz GEMZLMIZXOKDLL-OAHLLOKOSA-N 2 1 284.403 3.162 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c2ccccc12 ZINC001205931012 813139508 /nfs/dbraw/zinc/13/95/08/813139508.db2.gz GEMZLMIZXOKDLL-OAHLLOKOSA-N 2 1 284.403 3.162 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ncccc23)CCC[C@H]1C[NH3+] ZINC001205994919 813156925 /nfs/dbraw/zinc/15/69/25/813156925.db2.gz NFKUGXZSOLBCIN-GJZGRUSLSA-N 2 1 283.419 3.042 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205996584 813158339 /nfs/dbraw/zinc/15/83/39/813158339.db2.gz XMKYMFBETQENJG-RHSMWYFYSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)CCC[C@H]1C[NH3+] ZINC001205996374 813158597 /nfs/dbraw/zinc/15/85/97/813158597.db2.gz WPKQGUCDMQUJCW-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC001206012417 813164875 /nfs/dbraw/zinc/16/48/75/813164875.db2.gz LFSVGIMVYKHFQR-STQMWFEESA-N 2 1 266.454 3.117 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206012595 813165405 /nfs/dbraw/zinc/16/54/05/813165405.db2.gz MSZJFNGSJBNTNE-UONOGXRCSA-N 2 1 278.465 3.215 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206028820 813171924 /nfs/dbraw/zinc/17/19/24/813171924.db2.gz ZMAINQGWANYBLL-KBPBESRZSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053341 813182818 /nfs/dbraw/zinc/18/28/18/813182818.db2.gz SMWBGNFUACPDIQ-HDMKZQKVSA-N 2 1 288.479 3.442 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2-c2ccccc2)C[C@H]1[NH3+] ZINC001206064812 813188120 /nfs/dbraw/zinc/18/81/20/813188120.db2.gz FKDDFWWAGDLXFN-RDTXWAMCSA-N 2 1 266.388 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)C[C@H]1[NH3+] ZINC001206064812 813188124 /nfs/dbraw/zinc/18/81/24/813188124.db2.gz FKDDFWWAGDLXFN-RDTXWAMCSA-N 2 1 266.388 3.133 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc3ccccc32)CC[C@H]1F ZINC001206156444 813217101 /nfs/dbraw/zinc/21/71/01/813217101.db2.gz QWIIXFABTVYHFQ-SJORKVTESA-N 2 1 272.367 3.101 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3ccccc32)CC[C@H]1F ZINC001206156444 813217103 /nfs/dbraw/zinc/21/71/03/813217103.db2.gz QWIIXFABTVYHFQ-SJORKVTESA-N 2 1 272.367 3.101 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163209 813220027 /nfs/dbraw/zinc/22/00/27/813220027.db2.gz AQJRJCIGVOMGIA-KGLIPLIRSA-N 2 1 292.423 3.471 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206163748 813220953 /nfs/dbraw/zinc/22/09/53/813220953.db2.gz FGOCMOBQRQADNX-CVEARBPZSA-N 2 1 264.388 3.071 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Cl)CC[C@H]1F ZINC001206165521 813222513 /nfs/dbraw/zinc/22/25/13/813222513.db2.gz NRSMFNWTLSWROQ-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC[C@H]1F ZINC001206165521 813222516 /nfs/dbraw/zinc/22/25/16/813222516.db2.gz NRSMFNWTLSWROQ-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cccc(Cl)c23)CC[C@@H]1F ZINC001206173117 813225527 /nfs/dbraw/zinc/22/55/27/813225527.db2.gz FBWWVXZTBXKCCT-QWHCGFSZSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC[C@@H]1F ZINC001206173117 813225530 /nfs/dbraw/zinc/22/55/30/813225530.db2.gz FBWWVXZTBXKCCT-QWHCGFSZSA-N 2 1 295.789 3.083 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206174976 813226374 /nfs/dbraw/zinc/22/63/74/813226374.db2.gz QZUOOSJEYCCGNU-HOTGVXAUSA-N 2 1 278.415 3.245 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)c1C ZINC001206182600 813229979 /nfs/dbraw/zinc/22/99/79/813229979.db2.gz CCCXUOLCGOSZFL-QZTJIDSGSA-N 2 1 292.442 3.490 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)c1C ZINC001206182600 813229981 /nfs/dbraw/zinc/22/99/81/813229981.db2.gz CCCXUOLCGOSZFL-QZTJIDSGSA-N 2 1 292.442 3.490 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206183772 813229994 /nfs/dbraw/zinc/22/99/94/813229994.db2.gz HDCAHQDZIIOFSE-LSDHHAIUSA-N 2 1 292.423 3.471 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206183772 813229997 /nfs/dbraw/zinc/22/99/97/813229997.db2.gz HDCAHQDZIIOFSE-LSDHHAIUSA-N 2 1 292.423 3.471 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[C@@H]1F ZINC001206182711 813230640 /nfs/dbraw/zinc/23/06/40/813230640.db2.gz DIGMRHDTDHIOJE-UONOGXRCSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@@H]1F ZINC001206196676 813235758 /nfs/dbraw/zinc/23/57/58/813235758.db2.gz CKHBGCBIOVNHJW-IRXDYDNUSA-N 2 1 276.399 3.215 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206201101 813238128 /nfs/dbraw/zinc/23/81/28/813238128.db2.gz VPNPEWCQUSXYDW-HUUCEWRRSA-N 2 1 284.806 3.218 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269229 813264959 /nfs/dbraw/zinc/26/49/59/813264959.db2.gz HJWFQFYXZRAFCE-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269229 813264962 /nfs/dbraw/zinc/26/49/62/813264962.db2.gz HJWFQFYXZRAFCE-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001206303614 813279936 /nfs/dbraw/zinc/27/99/36/813279936.db2.gz DXJWPRZTISLHPH-INIZCTEOSA-N 2 1 298.377 3.239 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(C)s1 ZINC001206305167 813281272 /nfs/dbraw/zinc/28/12/72/813281272.db2.gz VDMGECGBPUVLNE-HNNXBMFYSA-N 2 1 266.454 3.316 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1C ZINC001206305162 813281660 /nfs/dbraw/zinc/28/16/60/813281660.db2.gz UZTCOBGSJCSZJH-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2OC(F)F)CC1 ZINC001206304567 813282321 /nfs/dbraw/zinc/28/23/21/813282321.db2.gz MRXHUVNJKWXTSJ-MRXNPFEDSA-N 2 1 298.377 3.239 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206363186 813304957 /nfs/dbraw/zinc/30/49/57/813304957.db2.gz VRTAPTJWQBXWCC-KRWDZBQOSA-N 2 1 278.415 3.292 20 0 CGADMP CCCc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206363186 813304966 /nfs/dbraw/zinc/30/49/66/813304966.db2.gz VRTAPTJWQBXWCC-KRWDZBQOSA-N 2 1 278.415 3.292 20 0 CGADMP C[C@]1(F)CCCC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001206404561 813314650 /nfs/dbraw/zinc/31/46/50/813314650.db2.gz MHDZTBPMWPDUDD-KRWDZBQOSA-N 2 1 276.399 3.046 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206540144 813342550 /nfs/dbraw/zinc/34/25/50/813342550.db2.gz ANZWHIXLEBKDPV-SFHVURJKSA-N 2 1 290.451 3.426 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542194 813343852 /nfs/dbraw/zinc/34/38/52/813343852.db2.gz UQQUVPSOAIBYQK-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2sccc2Cl)C1 ZINC001206548120 813346888 /nfs/dbraw/zinc/34/68/88/813346888.db2.gz GZEMNDLOCRNPIW-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2sccc2Cl)C1 ZINC001206548120 813346895 /nfs/dbraw/zinc/34/68/95/813346895.db2.gz GZEMNDLOCRNPIW-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001206550208 813348064 /nfs/dbraw/zinc/34/80/64/813348064.db2.gz XMXNFOQJPQICKK-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP COc1c(Cl)cccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556409 813351404 /nfs/dbraw/zinc/35/14/04/813351404.db2.gz RGJNKYXXHBILSJ-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556409 813351412 /nfs/dbraw/zinc/35/14/12/813351412.db2.gz RGJNKYXXHBILSJ-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001206563309 813355009 /nfs/dbraw/zinc/35/50/09/813355009.db2.gz BUIBVXYEJPCCDU-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001206572638 813358611 /nfs/dbraw/zinc/35/86/11/813358611.db2.gz FUQYNMCUTDOQHH-GOSISDBHSA-N 2 1 298.434 3.028 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)NCC2)[C@H]1CCC[NH2+]CC1 ZINC001206606315 813372065 /nfs/dbraw/zinc/37/20/65/813372065.db2.gz KEEPQKAAAYMXBG-KRWDZBQOSA-N 2 1 287.451 3.007 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770563 813431974 /nfs/dbraw/zinc/43/19/74/813431974.db2.gz SRZYTALFWTVNLR-GJZGRUSLSA-N 2 1 276.424 3.033 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cccc(Cl)c12 ZINC001206772195 813433220 /nfs/dbraw/zinc/43/32/20/813433220.db2.gz ZBSIBDMGIMEZDP-NWDGAFQWSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cccc(Cl)c12 ZINC001206772197 813433764 /nfs/dbraw/zinc/43/37/64/813433764.db2.gz ZBSIBDMGIMEZDP-VXGBXAGGSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206805754 813441332 /nfs/dbraw/zinc/44/13/32/813441332.db2.gz DFKLCXKDAVICPN-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(C(F)F)c1 ZINC001207126465 813491049 /nfs/dbraw/zinc/49/10/49/813491049.db2.gz RGXPTPVGDINLNR-UHFFFAOYSA-N 2 1 256.340 3.008 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC001207126465 813491055 /nfs/dbraw/zinc/49/10/55/813491055.db2.gz RGXPTPVGDINLNR-UHFFFAOYSA-N 2 1 256.340 3.008 20 0 CGADMP CCCc1cccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001207175236 813504137 /nfs/dbraw/zinc/50/41/37/813504137.db2.gz RVNGJWKCOYEFJE-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001207175236 813504138 /nfs/dbraw/zinc/50/41/38/813504138.db2.gz RVNGJWKCOYEFJE-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001207175236 813504141 /nfs/dbraw/zinc/50/41/41/813504141.db2.gz RVNGJWKCOYEFJE-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001207175236 813504146 /nfs/dbraw/zinc/50/41/46/813504146.db2.gz RVNGJWKCOYEFJE-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001207175236 813504150 /nfs/dbraw/zinc/50/41/50/813504150.db2.gz RVNGJWKCOYEFJE-MSOLQXFVSA-N 2 1 272.436 3.165 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001207275790 813530445 /nfs/dbraw/zinc/53/04/45/813530445.db2.gz PIQGUJSGRMFWNJ-INIZCTEOSA-N 2 1 260.425 3.064 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207349225 813547271 /nfs/dbraw/zinc/54/72/71/813547271.db2.gz LVIBABSGLWJJQE-UHFFFAOYSA-N 2 1 286.410 3.371 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207349225 813547276 /nfs/dbraw/zinc/54/72/76/813547276.db2.gz LVIBABSGLWJJQE-UHFFFAOYSA-N 2 1 286.410 3.371 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2ccc(OC)cc2)CC1 ZINC001207583013 813599184 /nfs/dbraw/zinc/59/91/84/813599184.db2.gz WOWFFMOWYTUMSV-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccc(OC)cc2)CC1 ZINC001207583013 813599193 /nfs/dbraw/zinc/59/91/93/813599193.db2.gz WOWFFMOWYTUMSV-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207604515 813608356 /nfs/dbraw/zinc/60/83/56/813608356.db2.gz QZQFVOLUVMYKLE-UHFFFAOYSA-N 2 1 290.426 3.317 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207604515 813608362 /nfs/dbraw/zinc/60/83/62/813608362.db2.gz QZQFVOLUVMYKLE-UHFFFAOYSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC001208105819 813693185 /nfs/dbraw/zinc/69/31/85/813693185.db2.gz CDWWXSKLJZSJIZ-KRWDZBQOSA-N 2 1 272.436 3.208 20 0 CGADMP Cc1ccc([C@@H](C)CC[NH+]2CCC([NH+]3CCC3)CC2)o1 ZINC001208166138 813720923 /nfs/dbraw/zinc/72/09/23/813720923.db2.gz WACRSJWVPHFQLL-AWEZNQCLSA-N 2 1 276.424 3.252 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCc3ccccc3C2)CCCC1 ZINC001208181961 813733258 /nfs/dbraw/zinc/73/32/58/813733258.db2.gz DVFWHRUOKVEZOD-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CC[C@H](F)C(F)(F)CC2)CCCC1 ZINC001208182388 813733626 /nfs/dbraw/zinc/73/36/26/813733626.db2.gz OSPXXBPFQQSDSK-ZDUSSCGKSA-N 2 1 292.389 3.178 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001208183009 813734092 /nfs/dbraw/zinc/73/40/92/813734092.db2.gz WLXCMTOCWABICM-DLBZAZTESA-N 2 1 276.468 3.397 20 0 CGADMP CC(C)[N@@H+](CC1CC1)CC1(C[NH+](C)C)CCCC1 ZINC001208191690 813737304 /nfs/dbraw/zinc/73/73/04/813737304.db2.gz NPJFCZPNANHWHE-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CC/C=C/c2cccnc2)CC1 ZINC001208600914 813770985 /nfs/dbraw/zinc/77/09/85/813770985.db2.gz FQQMLIOTFPPBHS-QPJJXVBHSA-N 2 1 287.451 3.149 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCSC[C@H]2c2ccccc2)C1 ZINC001208612343 813773185 /nfs/dbraw/zinc/77/31/85/813773185.db2.gz MMGNJEZZJUTSCL-WBVHZDCISA-N 2 1 290.476 3.118 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCSC[C@H]2c2ccccc2)C1 ZINC001208612343 813773190 /nfs/dbraw/zinc/77/31/90/813773190.db2.gz MMGNJEZZJUTSCL-WBVHZDCISA-N 2 1 290.476 3.118 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001208612343 813773193 /nfs/dbraw/zinc/77/31/93/813773193.db2.gz MMGNJEZZJUTSCL-WBVHZDCISA-N 2 1 290.476 3.118 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001208612343 813773198 /nfs/dbraw/zinc/77/31/98/813773198.db2.gz MMGNJEZZJUTSCL-WBVHZDCISA-N 2 1 290.476 3.118 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccccc2)C1 ZINC001208609725 813775883 /nfs/dbraw/zinc/77/58/83/813775883.db2.gz WZXVWUJZSAFPNU-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccccc2)C1 ZINC001208609725 813775886 /nfs/dbraw/zinc/77/58/86/813775886.db2.gz WZXVWUJZSAFPNU-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001208609725 813775888 /nfs/dbraw/zinc/77/58/88/813775888.db2.gz WZXVWUJZSAFPNU-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001208609725 813775892 /nfs/dbraw/zinc/77/58/92/813775892.db2.gz WZXVWUJZSAFPNU-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C2CCC2)C1 ZINC001208617423 813777711 /nfs/dbraw/zinc/77/77/11/813777711.db2.gz NENNYDPRKNOMTB-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C2CCC2)C1 ZINC001208617423 813777713 /nfs/dbraw/zinc/77/77/13/813777713.db2.gz NENNYDPRKNOMTB-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+](Cc2ccccc2)C2CCC2)C1 ZINC001208617423 813777718 /nfs/dbraw/zinc/77/77/18/813777718.db2.gz NENNYDPRKNOMTB-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CCC2)C1 ZINC001208617423 813777722 /nfs/dbraw/zinc/77/77/22/813777722.db2.gz NENNYDPRKNOMTB-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209429942 814030718 /nfs/dbraw/zinc/03/07/18/814030718.db2.gz IDVFBTVQTHQMSV-GDBMZVCRSA-N 2 1 290.426 3.378 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209429942 814030723 /nfs/dbraw/zinc/03/07/23/814030723.db2.gz IDVFBTVQTHQMSV-GDBMZVCRSA-N 2 1 290.426 3.378 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)Cc1cnccc1N ZINC001209728856 814122416 /nfs/dbraw/zinc/12/24/16/814122416.db2.gz WKABJZKFMBUZCB-UHFFFAOYSA-N 2 1 269.392 3.295 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209728856 814122422 /nfs/dbraw/zinc/12/24/22/814122422.db2.gz WKABJZKFMBUZCB-UHFFFAOYSA-N 2 1 269.392 3.295 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210496828 814489497 /nfs/dbraw/zinc/48/94/97/814489497.db2.gz JXUJETGSLSACIY-HNNXBMFYSA-N 2 1 268.404 3.332 20 0 CGADMP [NH3+]Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001218176327 816117664 /nfs/dbraw/zinc/11/76/64/816117664.db2.gz GILGZVDHRLNRMF-IBGZPJMESA-N 2 1 296.414 3.189 20 0 CGADMP CCc1cccc2c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c[nH]c21 ZINC001222148448 816360108 /nfs/dbraw/zinc/36/01/08/816360108.db2.gz PCZKSIASYVOFLK-LJQANCHMSA-N 2 1 297.446 3.306 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154481 816362690 /nfs/dbraw/zinc/36/26/90/816362690.db2.gz NQVDTRSSYCLIKE-KRWDZBQOSA-N 2 1 290.476 3.374 20 0 CGADMP Fc1ccc2occc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222155024 816362945 /nfs/dbraw/zinc/36/29/45/816362945.db2.gz VUIDFARYFIGKAZ-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2occc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222155024 816362951 /nfs/dbraw/zinc/36/29/51/816362951.db2.gz VUIDFARYFIGKAZ-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155141 816363518 /nfs/dbraw/zinc/36/35/18/816363518.db2.gz WONYIKDDKPQDRV-MANSERQUSA-N 2 1 288.479 3.444 20 0 CGADMP Oc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161396 816366520 /nfs/dbraw/zinc/36/65/20/816366520.db2.gz NNTHJXBXZBUFSY-GOSISDBHSA-N 2 1 288.435 3.138 20 0 CGADMP Fc1ccc2c(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001222237007 816381365 /nfs/dbraw/zinc/38/13/65/816381365.db2.gz DADXDDXJQIJGKT-QGZVFWFLSA-N 2 1 287.382 3.025 20 0 CGADMP Fc1ccc2c(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001222237007 816381373 /nfs/dbraw/zinc/38/13/73/816381373.db2.gz DADXDDXJQIJGKT-QGZVFWFLSA-N 2 1 287.382 3.025 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccc21 ZINC001222264522 816391073 /nfs/dbraw/zinc/39/10/73/816391073.db2.gz DCBSITPUPGZOSV-LJQANCHMSA-N 2 1 297.446 3.144 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@]23CCC[NH2+]CC3)o1 ZINC001222309186 816403513 /nfs/dbraw/zinc/40/35/13/816403513.db2.gz MYDZBNBRUKPVCJ-KRWDZBQOSA-N 2 1 276.424 3.129 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc(F)c1F ZINC001222320956 816408600 /nfs/dbraw/zinc/40/86/00/816408600.db2.gz PCQFCIFUEMCXEI-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP CC/C=C\CCCCCC[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222380280 816425036 /nfs/dbraw/zinc/42/50/36/816425036.db2.gz YOLIFYKRUCXXMS-ARJAWSKDSA-N 2 1 250.430 3.198 20 0 CGADMP FC1(F)CCC(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001222385461 816425999 /nfs/dbraw/zinc/42/59/99/816425999.db2.gz NWHJQLTVWSVZEE-HNNXBMFYSA-N 2 1 286.410 3.420 20 0 CGADMP FC1(F)CCC(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001222385461 816426007 /nfs/dbraw/zinc/42/60/07/816426007.db2.gz NWHJQLTVWSVZEE-HNNXBMFYSA-N 2 1 286.410 3.420 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001222385216 816426020 /nfs/dbraw/zinc/42/60/20/816426020.db2.gz HRGFHKSMWHKDAR-IBGZPJMESA-N 2 1 284.447 3.010 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001222420484 816439571 /nfs/dbraw/zinc/43/95/71/816439571.db2.gz DDLCMOMAKDYRHE-ULQDDVLXSA-N 2 1 262.441 3.197 20 0 CGADMP [NH3+]CC1(F)CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC001222532351 816462805 /nfs/dbraw/zinc/46/28/05/816462805.db2.gz KZWJTMKPXVDJJF-UHFFFAOYSA-N 2 1 291.197 3.256 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC001222623867 816482723 /nfs/dbraw/zinc/48/27/23/816482723.db2.gz OMSCMWOTJYZQMU-OKILXGFUSA-N 2 1 278.465 3.132 20 0 CGADMP CC(C)(C)[NH+]1CCC(Oc2cc(N)[nH+]c3ccccc32)CC1 ZINC001226422302 817352693 /nfs/dbraw/zinc/35/26/93/817352693.db2.gz MABBCZCEULHYNS-UHFFFAOYSA-N 2 1 299.418 3.459 20 0 CGADMP Cc1c(F)ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001231477642 818106639 /nfs/dbraw/zinc/10/66/39/818106639.db2.gz MURRPIUNZTWFNX-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232011042 818234160 /nfs/dbraw/zinc/23/41/60/818234160.db2.gz GZHBMYZNFDKIBB-OAHLLOKOSA-N 2 1 261.344 3.277 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](CC2CC2)C2CC2)c1 ZINC001232150070 818263812 /nfs/dbraw/zinc/26/38/12/818263812.db2.gz RWRBUVSCZJMWHN-UHFFFAOYSA-N 2 1 276.399 3.262 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C[C@H]2CC2(C)C)c1 ZINC001232146576 818264048 /nfs/dbraw/zinc/26/40/48/818264048.db2.gz URLOAYMHVIMIKA-OAHLLOKOSA-N 2 1 278.415 3.365 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@](C)(CF)C2)c1 ZINC001232144313 818264224 /nfs/dbraw/zinc/26/42/24/818264224.db2.gz HXYNRHDCWCVQGS-INIZCTEOSA-N 2 1 282.378 3.069 20 0 CGADMP CCc1csc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001232473582 818362724 /nfs/dbraw/zinc/36/27/24/818362724.db2.gz YCQPWDYQKPMYSR-UHFFFAOYSA-N 2 1 295.496 3.258 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235024484 818980958 /nfs/dbraw/zinc/98/09/58/818980958.db2.gz MJMUJXRDPLGZSP-UHFFFAOYSA-N 2 1 278.399 3.149 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026291 818981769 /nfs/dbraw/zinc/98/17/69/818981769.db2.gz MNQYPZYWTQBVPL-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026234 818982698 /nfs/dbraw/zinc/98/26/98/818982698.db2.gz LSBJYTZDZPUEKO-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235034464 818984102 /nfs/dbraw/zinc/98/41/02/818984102.db2.gz YYIFWHRSHAMVGC-GOSISDBHSA-N 2 1 284.378 3.164 20 0 CGADMP Cc1c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc(F)c1F ZINC001235037863 818985737 /nfs/dbraw/zinc/98/57/37/818985737.db2.gz IOJLKHHKOQJOLI-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc(F)c1F ZINC001235037863 818985740 /nfs/dbraw/zinc/98/57/40/818985740.db2.gz IOJLKHHKOQJOLI-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039825 818988091 /nfs/dbraw/zinc/98/80/91/818988091.db2.gz YFXIZOCASAIDQC-OWCLPIDISA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039825 818988099 /nfs/dbraw/zinc/98/80/99/818988099.db2.gz YFXIZOCASAIDQC-OWCLPIDISA-N 2 1 250.430 3.195 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC001235092368 818999073 /nfs/dbraw/zinc/99/90/73/818999073.db2.gz IZSZYNBOBQAWKJ-UHFFFAOYSA-N 2 1 296.817 3.097 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235141367 819015790 /nfs/dbraw/zinc/01/57/90/819015790.db2.gz SLJDJGWRRJDDPV-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235141706 819015923 /nfs/dbraw/zinc/01/59/23/819015923.db2.gz WPBZYICNFCNEGA-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235154476 819018453 /nfs/dbraw/zinc/01/84/53/819018453.db2.gz LWVAHJAXERXKPU-SFHVURJKSA-N 2 1 290.426 3.488 20 0 CGADMP CCCCCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151940 819018604 /nfs/dbraw/zinc/01/86/04/819018604.db2.gz KCKXUZLZSQRXEZ-INIZCTEOSA-N 2 1 252.446 3.421 20 0 CGADMP CC/C=C\CCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170705 819022698 /nfs/dbraw/zinc/02/26/98/819022698.db2.gz FYJJWVNLLZTROP-QGZUEGPWSA-N 2 1 250.430 3.341 20 0 CGADMP Clc1ccc(CC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235172350 819024344 /nfs/dbraw/zinc/02/43/44/819024344.db2.gz MAIVPVBRSRPBEF-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1ccc(CC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235172350 819024349 /nfs/dbraw/zinc/02/43/49/819024349.db2.gz MAIVPVBRSRPBEF-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235194515 819032473 /nfs/dbraw/zinc/03/24/73/819032473.db2.gz XLJMRSHDRIPYBG-JGPFYOFESA-N 2 1 250.430 3.054 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235197768 819034214 /nfs/dbraw/zinc/03/42/14/819034214.db2.gz ILBNBFRIXJSZAF-TZMCWYRMSA-N 2 1 298.352 3.055 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235198045 819034341 /nfs/dbraw/zinc/03/43/41/819034341.db2.gz KWPYAUBKAZWOAN-IAGOWNOFSA-N 2 1 286.463 3.416 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001235239255 819044391 /nfs/dbraw/zinc/04/43/91/819044391.db2.gz GIONILSSYAKHAM-IEBWSBKVSA-N 2 1 284.447 3.312 20 0 CGADMP CCCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248188 819048614 /nfs/dbraw/zinc/04/86/14/819048614.db2.gz PCKCJVNTMOPARU-QZTJIDSGSA-N 2 1 272.436 3.398 20 0 CGADMP CCCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248188 819048616 /nfs/dbraw/zinc/04/86/16/819048616.db2.gz PCKCJVNTMOPARU-QZTJIDSGSA-N 2 1 272.436 3.398 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235263825 819056608 /nfs/dbraw/zinc/05/66/08/819056608.db2.gz VIGXBDQYIBHUGY-SUMWQHHRSA-N 2 1 297.446 3.259 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235263825 819056614 /nfs/dbraw/zinc/05/66/14/819056614.db2.gz VIGXBDQYIBHUGY-SUMWQHHRSA-N 2 1 297.446 3.259 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc12 ZINC001235264703 819058481 /nfs/dbraw/zinc/05/84/81/819058481.db2.gz AKMJWAMAYFXCBR-KSSFIOAISA-N 2 1 284.378 3.163 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc12 ZINC001235264703 819058488 /nfs/dbraw/zinc/05/84/88/819058488.db2.gz AKMJWAMAYFXCBR-KSSFIOAISA-N 2 1 284.378 3.163 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)o1 ZINC001235349217 819076291 /nfs/dbraw/zinc/07/62/91/819076291.db2.gz OGSJLPTYCQDSIJ-RTBURBONSA-N 2 1 296.414 3.167 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)o1 ZINC001235349217 819076296 /nfs/dbraw/zinc/07/62/96/819076296.db2.gz OGSJLPTYCQDSIJ-RTBURBONSA-N 2 1 296.414 3.167 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](CC2CCCC2)C3)cc1 ZINC001235349642 819076594 /nfs/dbraw/zinc/07/65/94/819076594.db2.gz SKSHSDGTEWSGJY-RTBURBONSA-N 2 1 284.447 3.256 20 0 CGADMP CCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426673 819093432 /nfs/dbraw/zinc/09/34/32/819093432.db2.gz PVTRFUKSFIQJMA-JKSUJKDBSA-N 2 1 252.446 3.278 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235429559 819094052 /nfs/dbraw/zinc/09/40/52/819094052.db2.gz ZCFOYDPMQVBWGD-IRXDYDNUSA-N 2 1 290.426 3.080 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)o1)CC1CC[NH2+]CC1 ZINC001235433500 819095959 /nfs/dbraw/zinc/09/59/59/819095959.db2.gz JZTHGZNSAYCDBV-UHFFFAOYSA-N 2 1 284.403 3.378 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235445914 819101138 /nfs/dbraw/zinc/10/11/38/819101138.db2.gz VQNKDQOEUAGMIA-LJQANCHMSA-N 2 1 295.430 3.237 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235672303 819133535 /nfs/dbraw/zinc/13/35/35/819133535.db2.gz ALYLHKYLZGTGEV-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1sccc1Cl ZINC001235715803 819150103 /nfs/dbraw/zinc/15/01/03/819150103.db2.gz XOCDNDOAFRHSJC-UHFFFAOYSA-N 2 1 272.845 3.223 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(F)c1Cl ZINC001235716426 819150393 /nfs/dbraw/zinc/15/03/93/819150393.db2.gz BCUYEBDTJKGRSS-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@@H]([NH3+])C[NH+]1CCC(c2ccc3ccccc3c2)CC1 ZINC001235715839 819150441 /nfs/dbraw/zinc/15/04/41/819150441.db2.gz ULZVNBANEZJQJS-CQSZACIVSA-N 2 1 268.404 3.366 20 0 CGADMP CCCOc1ccccc1C[N@H+](CC)C1CC[NH2+]CC1 ZINC001235760668 819161958 /nfs/dbraw/zinc/16/19/58/819161958.db2.gz HIRTUUUMOCTVHW-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CCCOc1ccccc1C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235760668 819161961 /nfs/dbraw/zinc/16/19/61/819161961.db2.gz HIRTUUUMOCTVHW-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CC[N@@H+](Cc1c(OC)ccc2ccccc21)C1CC[NH2+]CC1 ZINC001235762345 819163449 /nfs/dbraw/zinc/16/34/49/819163449.db2.gz SJBOQECJYPMHQV-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](CC)C3CC[NH2+]CC3)cc21 ZINC001235762997 819163824 /nfs/dbraw/zinc/16/38/24/819163824.db2.gz ZOVJQAGDHVZVPT-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP CCCCc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1 ZINC001235788674 819167748 /nfs/dbraw/zinc/16/77/48/819167748.db2.gz LFIWZIPPZZDADP-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC001235808337 819172901 /nfs/dbraw/zinc/17/29/01/819172901.db2.gz BBZHIJSALXTTTA-GOSISDBHSA-N 2 1 298.455 3.435 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)s1)C[C@@H]1CC[NH2+]C1 ZINC001235841709 819183463 /nfs/dbraw/zinc/18/34/63/819183463.db2.gz HTLPFQRGOTUGSW-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841878 819183929 /nfs/dbraw/zinc/18/39/29/819183929.db2.gz JGVMPEMFZKKFKV-ZDUSSCGKSA-N 2 1 274.433 3.251 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)cc2)o1 ZINC001235842582 819183939 /nfs/dbraw/zinc/18/39/39/819183939.db2.gz PBXYJNHYKQZDBL-INIZCTEOSA-N 2 1 284.403 3.296 20 0 CGADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001235842619 819184981 /nfs/dbraw/zinc/18/49/81/819184981.db2.gz PYCUAGSDPBZIFT-HNNXBMFYSA-N 2 1 260.425 3.025 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235843126 819185081 /nfs/dbraw/zinc/18/50/81/819185081.db2.gz VYXSBZMNGZOZCN-MRXNPFEDSA-N 2 1 274.452 3.416 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)cc1 ZINC001235909518 819218440 /nfs/dbraw/zinc/21/84/40/819218440.db2.gz DTOKFHLDIVLQOV-FHLIZLRMSA-N 2 1 292.442 3.360 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)cc1 ZINC001235909518 819218444 /nfs/dbraw/zinc/21/84/44/819218444.db2.gz DTOKFHLDIVLQOV-FHLIZLRMSA-N 2 1 292.442 3.360 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235919524 819220713 /nfs/dbraw/zinc/22/07/13/819220713.db2.gz YNXHEIRSTNXUSJ-CYBMUJFWSA-N 2 1 286.341 3.104 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925305 819224666 /nfs/dbraw/zinc/22/46/66/819224666.db2.gz GSBUQMALXVLJQX-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925588 819225503 /nfs/dbraw/zinc/22/55/03/819225503.db2.gz LLDULHUYGBRLGR-KRWDZBQOSA-N 2 1 260.425 3.198 20 0 CGADMP Clc1cccc(Cl)c1CC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929740 819227352 /nfs/dbraw/zinc/22/73/52/819227352.db2.gz RTUPNDYTOATRIQ-NEPJUHHUSA-N 2 1 299.245 3.077 20 0 CGADMP Clc1cccc(Cl)c1CC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929740 819227361 /nfs/dbraw/zinc/22/73/61/819227361.db2.gz RTUPNDYTOATRIQ-NEPJUHHUSA-N 2 1 299.245 3.077 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)o1 ZINC001235937497 819232373 /nfs/dbraw/zinc/23/23/73/819232373.db2.gz IFIZVNZQENBHBX-ZWKOTPCHSA-N 2 1 296.414 3.296 20 0 CGADMP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235942860 819234141 /nfs/dbraw/zinc/23/41/41/819234141.db2.gz YHKIQNIWMOUQKY-ZFWWWQNUSA-N 2 1 284.378 3.020 20 0 CGADMP FC1(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001235946806 819235404 /nfs/dbraw/zinc/23/54/04/819235404.db2.gz BNBNTTBGPSPWDI-CQSZACIVSA-N 2 1 296.817 3.221 20 0 CGADMP C[C@@H](CC[N@@H+](C)C[C@H]1CCC[NH2+]C1)CC(C)(C)C ZINC001235950663 819242248 /nfs/dbraw/zinc/24/22/48/819242248.db2.gz KYPKMDOAPGFIPU-GJZGRUSLSA-N 2 1 254.462 3.380 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235956123 819244457 /nfs/dbraw/zinc/24/44/57/819244457.db2.gz AAGPDWZIOLBWQM-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)CC1(C)CC[NH2+]CC1 ZINC001235960792 819249974 /nfs/dbraw/zinc/24/99/74/819249974.db2.gz OGMSHVUREOPPTJ-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC12CC([NH3+])(C1)C2 ZINC001235962776 819251696 /nfs/dbraw/zinc/25/16/96/819251696.db2.gz PNYWZYFJTPWDSX-NUWOQIAWSA-N 2 1 280.456 3.131 20 0 CGADMP CCCCC[NH+](CCCCC)Cc1cnc2n1CC[NH2+]C2 ZINC001235963836 819252426 /nfs/dbraw/zinc/25/24/26/819252426.db2.gz UUBXGTCOSIEFKF-UHFFFAOYSA-N 2 1 292.471 3.169 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC001235980000 819256476 /nfs/dbraw/zinc/25/64/76/819256476.db2.gz PLJSJVXAZNPJGE-UYAOXDASSA-N 2 1 292.426 3.242 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985849 819260113 /nfs/dbraw/zinc/26/01/13/819260113.db2.gz DFZZOMZTEYTJLW-HKUYNNGSSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985849 819260125 /nfs/dbraw/zinc/26/01/25/819260125.db2.gz DFZZOMZTEYTJLW-HKUYNNGSSA-N 2 1 296.389 3.416 20 0 CGADMP CC[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC001236043034 819280946 /nfs/dbraw/zinc/28/09/46/819280946.db2.gz VMSLIPGNNDQXPD-INIZCTEOSA-N 2 1 264.388 3.180 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(F)c1 ZINC001236043034 819280949 /nfs/dbraw/zinc/28/09/49/819280949.db2.gz VMSLIPGNNDQXPD-INIZCTEOSA-N 2 1 264.388 3.180 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236065536 819297214 /nfs/dbraw/zinc/29/72/14/819297214.db2.gz AZILTSIBMFXYPN-FQEVSTJZSA-N 2 1 294.442 3.319 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2sc3ccccc3c2C)C1 ZINC001236066010 819298854 /nfs/dbraw/zinc/29/88/54/819298854.db2.gz GAHZPDRVKAJADK-CYBMUJFWSA-N 2 1 274.433 3.251 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236072903 819301807 /nfs/dbraw/zinc/30/18/07/819301807.db2.gz YOXDTTHWFRAJQC-AWEZNQCLSA-N 2 1 278.399 3.237 20 0 CGADMP [NH3+]Cc1ccc(C[N@@H+]2CCc3cccc(Cl)c3C2)cc1 ZINC001236077917 819304383 /nfs/dbraw/zinc/30/43/83/819304383.db2.gz ASWVOAHRVMSSCG-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCc3cccc(Cl)c3C2)cc1 ZINC001236077917 819304386 /nfs/dbraw/zinc/30/43/86/819304386.db2.gz ASWVOAHRVMSSCG-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001236096768 819315478 /nfs/dbraw/zinc/31/54/78/819315478.db2.gz FYDUJCIEPPWHAJ-JGGQBBKZSA-N 2 1 278.827 3.127 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC001236125304 819332420 /nfs/dbraw/zinc/33/24/20/819332420.db2.gz VXWZUPDLGUSQHW-CXAGYDPISA-N 2 1 294.389 3.491 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1ccc(COc2ccccc2)cc1 ZINC001236142583 819343002 /nfs/dbraw/zinc/34/30/02/819343002.db2.gz YSDGJVCHMNAMMA-UHFFFAOYSA-N 2 1 298.430 3.436 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])sc1C ZINC001236212982 819373978 /nfs/dbraw/zinc/37/39/78/819373978.db2.gz AOYUEJTUOCACGN-KGLIPLIRSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])sc1C ZINC001236212982 819373985 /nfs/dbraw/zinc/37/39/85/819373985.db2.gz AOYUEJTUOCACGN-KGLIPLIRSA-N 2 1 252.427 3.067 20 0 CGADMP C[N@H+](Cc1c[nH]c2c1cccc2F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211809 819374681 /nfs/dbraw/zinc/37/46/81/819374681.db2.gz JJSKJNIZDKCORF-GJZGRUSLSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2c1cccc2F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211809 819374689 /nfs/dbraw/zinc/37/46/89/819374689.db2.gz JJSKJNIZDKCORF-GJZGRUSLSA-N 2 1 275.371 3.009 20 0 CGADMP CCc1cccc(C)c1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215186 819377841 /nfs/dbraw/zinc/37/78/41/819377841.db2.gz HMWGCCMTJSJEEN-IAGOWNOFSA-N 2 1 260.425 3.259 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215186 819377850 /nfs/dbraw/zinc/37/78/50/819377850.db2.gz HMWGCCMTJSJEEN-IAGOWNOFSA-N 2 1 260.425 3.259 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(Cl)cc(OC)c2)CC1 ZINC001236215788 819379565 /nfs/dbraw/zinc/37/95/65/819379565.db2.gz QNVPIPYPDINSCH-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP C[N@H+](Cc1ccccc1C1CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218502 819384960 /nfs/dbraw/zinc/38/49/60/819384960.db2.gz SINUQJPPLJSUJY-IRXDYDNUSA-N 2 1 258.409 3.266 20 0 CGADMP C[N@@H+](Cc1ccccc1C1CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218502 819384964 /nfs/dbraw/zinc/38/49/64/819384964.db2.gz SINUQJPPLJSUJY-IRXDYDNUSA-N 2 1 258.409 3.266 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219193 819386981 /nfs/dbraw/zinc/38/69/81/819386981.db2.gz VMRUIDVOVGCUJN-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219193 819386986 /nfs/dbraw/zinc/38/69/86/819386986.db2.gz VMRUIDVOVGCUJN-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)ccc1OC(C)C ZINC001236228309 819391091 /nfs/dbraw/zinc/39/10/91/819391091.db2.gz SSCFFOFYUPFPMP-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CCc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc(CC)c1O ZINC001236225763 819391964 /nfs/dbraw/zinc/39/19/64/819391964.db2.gz FQGDGPYGBYRFKB-UHFFFAOYSA-N 2 1 290.451 3.091 20 0 CGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2[C@@H]3C[NH2+]C[C@H]23)cc1C ZINC001236244259 819402346 /nfs/dbraw/zinc/40/23/46/819402346.db2.gz JJKVPMGFNUZLHI-MANSERQUSA-N 2 1 284.447 3.296 20 0 CGADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1C ZINC001236245161 819403246 /nfs/dbraw/zinc/40/32/46/819403246.db2.gz PSRFBTWGJHINKH-WMZOPIPTSA-N 2 1 272.436 3.440 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCCN2 ZINC001236322641 819424803 /nfs/dbraw/zinc/42/48/03/819424803.db2.gz RMXJCECXRWNOFU-UHFFFAOYSA-N 2 1 289.467 3.208 20 0 CGADMP COCC[N@H+](C[C@H](C)CCC=C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236328331 819427001 /nfs/dbraw/zinc/42/70/01/819427001.db2.gz PESBCMRBXZTCMC-SJORKVTESA-N 2 1 282.472 3.069 20 0 CGADMP COCC[N@@H+](C[C@H](C)CCC=C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236328331 819427005 /nfs/dbraw/zinc/42/70/05/819427005.db2.gz PESBCMRBXZTCMC-SJORKVTESA-N 2 1 282.472 3.069 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236402169 819452287 /nfs/dbraw/zinc/45/22/87/819452287.db2.gz WNTQKJHNYVEPHZ-UHFFFAOYSA-N 2 1 278.415 3.426 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC001236407308 819454229 /nfs/dbraw/zinc/45/42/29/819454229.db2.gz CYARHQZSDFWKCV-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP CC[N@H+](Cc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407970 819455824 /nfs/dbraw/zinc/45/58/24/819455824.db2.gz KQZAMEPRTYBFPA-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP CC[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236408810 819456636 /nfs/dbraw/zinc/45/66/36/819456636.db2.gz NVTDHXPVLABAHJ-INIZCTEOSA-N 2 1 274.452 3.416 20 0 CGADMP CCCCOc1cccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)c1 ZINC001236408052 819456669 /nfs/dbraw/zinc/45/66/69/819456669.db2.gz KMLDVMNVKKJDAZ-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236415051 819461244 /nfs/dbraw/zinc/46/12/44/819461244.db2.gz NSGJIVPJCQXQAG-XHSDSOJGSA-N 2 1 284.488 3.420 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236418374 819464929 /nfs/dbraw/zinc/46/49/29/819464929.db2.gz HCIQEXINDGNODH-NUEKZKHPSA-N 2 1 278.827 3.127 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236418374 819464934 /nfs/dbraw/zinc/46/49/34/819464934.db2.gz HCIQEXINDGNODH-NUEKZKHPSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001236435701 819477908 /nfs/dbraw/zinc/47/79/08/819477908.db2.gz UXZQAPYKCGZZPD-KDOFPFPSSA-N 2 1 286.394 3.316 20 0 CGADMP C[C@H](C[N@H+]1CC[C@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001236435701 819477909 /nfs/dbraw/zinc/47/79/09/819477909.db2.gz UXZQAPYKCGZZPD-KDOFPFPSSA-N 2 1 286.394 3.316 20 0 CGADMP CC/C=C\CCCCCC[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236436227 819478047 /nfs/dbraw/zinc/47/80/47/819478047.db2.gz XLDHBUOYKADSTF-JZIMQPMSSA-N 2 1 256.409 3.276 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236436227 819478052 /nfs/dbraw/zinc/47/80/52/819478052.db2.gz XLDHBUOYKADSTF-JZIMQPMSSA-N 2 1 256.409 3.276 20 0 CGADMP CCCCC[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236440090 819480495 /nfs/dbraw/zinc/48/04/95/819480495.db2.gz JYSZCKCQYFAVBH-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CC(C)[N@H+](Cc1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC001236467985 819488580 /nfs/dbraw/zinc/48/85/80/819488580.db2.gz BYPALGHYRMNVBI-QGZVFWFLSA-N 2 1 283.419 3.197 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC001236467985 819488585 /nfs/dbraw/zinc/48/85/85/819488585.db2.gz BYPALGHYRMNVBI-QGZVFWFLSA-N 2 1 283.419 3.197 20 0 CGADMP CC(C)[N@H+](Cc1ccc2c(ccn2C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236467167 819488829 /nfs/dbraw/zinc/48/88/29/819488829.db2.gz AWMLPPUYHORRJC-QGZVFWFLSA-N 2 1 285.435 3.141 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(ccn2C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236467167 819488831 /nfs/dbraw/zinc/48/88/31/819488831.db2.gz AWMLPPUYHORRJC-QGZVFWFLSA-N 2 1 285.435 3.141 20 0 CGADMP Cc1cc(F)cc(C[N@@H+](CC2CCC2)C2CC[NH2+]CC2)c1 ZINC001236480780 819496167 /nfs/dbraw/zinc/49/61/67/819496167.db2.gz JRYNIHCCHOENGI-UHFFFAOYSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](CCC1CC1)C1CC[NH2+]CC1 ZINC001236518763 819512179 /nfs/dbraw/zinc/51/21/79/819512179.db2.gz WDJNXKVVUWJPHQ-UHFFFAOYSA-N 2 1 290.426 3.488 20 0 CGADMP c1ccc(C2(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CC3)CC2)cc1 ZINC001236584726 819545734 /nfs/dbraw/zinc/54/57/34/819545734.db2.gz RIDDIYMAZLDBTB-INIZCTEOSA-N 2 1 284.447 3.182 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1(C)C ZINC001236818236 819606842 /nfs/dbraw/zinc/60/68/42/819606842.db2.gz HHFAJLDRWVEIQS-FZKCQIBNSA-N 2 1 262.441 3.038 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC001236827297 819610339 /nfs/dbraw/zinc/61/03/39/819610339.db2.gz FIPKIVFXLFYXMN-MISXGVKJSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC001236827297 819610344 /nfs/dbraw/zinc/61/03/44/819610344.db2.gz FIPKIVFXLFYXMN-MISXGVKJSA-N 2 1 299.245 3.471 20 0 CGADMP CCC[N@@H+](C[C@H](C)c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236830048 819611245 /nfs/dbraw/zinc/61/12/45/819611245.db2.gz MOUPCDJHLJYMLK-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001236832727 819611775 /nfs/dbraw/zinc/61/17/75/819611775.db2.gz XFZMKKIDSYHVKB-NWANDNLSSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001236832727 819611776 /nfs/dbraw/zinc/61/17/76/819611776.db2.gz XFZMKKIDSYHVKB-NWANDNLSSA-N 2 1 298.352 3.183 20 0 CGADMP CCC[N@@H+](CC[C@H](C)c1ccc(C)o1)C[C@@H]1CC[NH2+]C1 ZINC001236829904 819611909 /nfs/dbraw/zinc/61/19/09/819611909.db2.gz LMKNHNHREGJUTP-GOEBONIOSA-N 2 1 278.440 3.403 20 0 CGADMP CCC[N@H+](Cc1ccccc1C1CC1)C[C@@H]1CC[NH2+]C1 ZINC001236833893 819613004 /nfs/dbraw/zinc/61/30/04/819613004.db2.gz DCUMMEYASHBWJF-OAHLLOKOSA-N 2 1 272.436 3.386 20 0 CGADMP CCC[N@H+](Cc1cc(C)cc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833390 819613698 /nfs/dbraw/zinc/61/36/98/819613698.db2.gz ANBJUEHCSGPIPD-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP CCC[N@H+](Cc1ccccc1C1CC1)C[C@H]1CC[NH2+]C1 ZINC001236833892 819613803 /nfs/dbraw/zinc/61/38/03/819613803.db2.gz DCUMMEYASHBWJF-HNNXBMFYSA-N 2 1 272.436 3.386 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836819 819617092 /nfs/dbraw/zinc/61/70/92/819617092.db2.gz YCWSJEVSYWIGKW-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@](C)(C[NH3+])C2)C1(C)C ZINC001237056271 819653782 /nfs/dbraw/zinc/65/37/82/819653782.db2.gz HRDFKISSIQOFOT-RDJZCZTQSA-N 2 1 264.457 3.430 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001237056770 819654803 /nfs/dbraw/zinc/65/48/03/819654803.db2.gz JRUHSYKXZSJIDP-SFHVURJKSA-N 2 1 274.452 3.460 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055120 819655089 /nfs/dbraw/zinc/65/50/89/819655089.db2.gz AHHNMIGCDJTRKU-LJQANCHMSA-N 2 1 298.430 3.409 20 0 CGADMP CCc1cccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237158549 819683903 /nfs/dbraw/zinc/68/39/03/819683903.db2.gz ZNLNWGPTHLYNHW-SFHVURJKSA-N 2 1 272.436 3.356 20 0 CGADMP CCc1cccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237158549 819683907 /nfs/dbraw/zinc/68/39/07/819683907.db2.gz ZNLNWGPTHLYNHW-SFHVURJKSA-N 2 1 272.436 3.356 20 0 CGADMP Cc1c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ccc(F)c1F ZINC001237160639 819684899 /nfs/dbraw/zinc/68/48/99/819684899.db2.gz GGQSVZUMDZFDKW-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203424 819697820 /nfs/dbraw/zinc/69/78/20/819697820.db2.gz GRLBWCOCDGNQEU-DAYGRLMNSA-N 2 1 274.452 3.410 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203424 819697822 /nfs/dbraw/zinc/69/78/22/819697822.db2.gz GRLBWCOCDGNQEU-DAYGRLMNSA-N 2 1 274.452 3.410 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265085 819711581 /nfs/dbraw/zinc/71/15/81/819711581.db2.gz LRIKTKBSATUPCE-JKSUJKDBSA-N 2 1 290.451 3.391 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237357873 819735635 /nfs/dbraw/zinc/73/56/35/819735635.db2.gz AIRKRXRWJJFSDR-JZXOWHBKSA-N 2 1 294.442 3.293 20 0 CGADMP Clc1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237382693 819737452 /nfs/dbraw/zinc/73/74/52/819737452.db2.gz MRLNUAVKTCDOCC-DOTOQJQBSA-N 2 1 292.854 3.347 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237393329 819741210 /nfs/dbraw/zinc/74/12/10/819741210.db2.gz RIPAVIPOWSXQLO-CJNGLKHVSA-N 2 1 278.465 3.275 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237393329 819741214 /nfs/dbraw/zinc/74/12/14/819741214.db2.gz RIPAVIPOWSXQLO-CJNGLKHVSA-N 2 1 278.465 3.275 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2cccccc1-2 ZINC001237414998 819746650 /nfs/dbraw/zinc/74/66/50/819746650.db2.gz OJHQYGBKLAXQOD-MJGOQNOKSA-N 2 1 280.415 3.365 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415458 819749537 /nfs/dbraw/zinc/74/95/37/819749537.db2.gz OAYMWTINNWXNAS-CZUORRHYSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415458 819749543 /nfs/dbraw/zinc/74/95/43/819749543.db2.gz OAYMWTINNWXNAS-CZUORRHYSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237417172 819749646 /nfs/dbraw/zinc/74/96/46/819749646.db2.gz TUHQHFRHZCSKKP-WMLDXEAASA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237417172 819749652 /nfs/dbraw/zinc/74/96/52/819749652.db2.gz TUHQHFRHZCSKKP-WMLDXEAASA-N 2 1 276.399 3.016 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+](C)CCC[NH+](C)C)c1C ZINC001238216547 819959247 /nfs/dbraw/zinc/95/92/47/819959247.db2.gz VSIGEJUEWOYLAM-UHFFFAOYSA-N 2 1 268.832 3.340 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+](C)CCC[NH+](C)C)c1C ZINC001238216547 819959252 /nfs/dbraw/zinc/95/92/52/819959252.db2.gz VSIGEJUEWOYLAM-UHFFFAOYSA-N 2 1 268.832 3.340 20 0 CGADMP C[N@H+]1CC=C(c2ccc3c(c2)[nH]c2cc[nH+]cc23)CC1 ZINC001241330728 821737609 /nfs/dbraw/zinc/73/76/09/821737609.db2.gz XUFOYVDQGZHEMG-UHFFFAOYSA-N 2 1 263.344 3.435 20 0 CGADMP C[N@@H+]1CC=C(c2ccc3c(c2)[nH]c2cc[nH+]cc23)CC1 ZINC001241330728 821737610 /nfs/dbraw/zinc/73/76/10/821737610.db2.gz XUFOYVDQGZHEMG-UHFFFAOYSA-N 2 1 263.344 3.435 20 0 CGADMP C[NH+]1CCC(c2ccc(C3=CC[N@@H+](C)CC3)cc2)CC1 ZINC001241331797 821737771 /nfs/dbraw/zinc/73/77/71/821737771.db2.gz DIIPIBYHCBELRS-UHFFFAOYSA-N 2 1 270.420 3.215 20 0 CGADMP C[C@H]([NH3+])c1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001241817729 822159967 /nfs/dbraw/zinc/15/99/67/822159967.db2.gz JBVZCNMZCATATH-HNNXBMFYSA-N 2 1 296.414 3.206 20 0 CGADMP C[C@H]([NH3+])c1ccccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241995302 822264595 /nfs/dbraw/zinc/26/45/95/822264595.db2.gz NUAHFPQGDGSPDL-HNNXBMFYSA-N 2 1 296.414 3.206 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(C[NH+]2CCCC2)c(F)c1 ZINC001242096202 822351160 /nfs/dbraw/zinc/35/11/60/822351160.db2.gz CFYZYQTZXQNONK-UHFFFAOYSA-N 2 1 285.366 3.374 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC001335441776 936146111 /nfs/dbraw/zinc/14/61/11/936146111.db2.gz TTXDSDFPEJYGFJ-LBPRGKRZSA-N 2 1 266.351 3.039 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)C[C@@H]2C1 ZINC001343333028 936495327 /nfs/dbraw/zinc/49/53/27/936495327.db2.gz LSQQHVSEDZILGP-BHYGNILZSA-N 2 1 297.446 3.330 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])Cc1cc(F)cc(F)c1 ZINC001348609720 936928618 /nfs/dbraw/zinc/92/86/18/936928618.db2.gz XDFUZSUBHNPFDO-UHFFFAOYSA-N 2 1 270.367 3.306 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001348852400 936936908 /nfs/dbraw/zinc/93/69/08/936936908.db2.gz LNXXWFCUMAVPRU-KBPBESRZSA-N 2 1 268.351 3.374 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CCCCC1 ZINC000921486261 927621771 /nfs/dbraw/zinc/62/17/71/927621771.db2.gz GWMDXWXHCGJRMF-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCCC12CCOCC2 ZINC001559917945 937211240 /nfs/dbraw/zinc/21/12/40/937211240.db2.gz VVQMANSCMNPXEY-MRXNPFEDSA-N 2 1 294.483 3.047 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163446234 928261153 /nfs/dbraw/zinc/26/11/53/928261153.db2.gz NTNLMXPNEJHTPT-YJBOKZPZSA-N 2 1 274.452 3.302 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC3CCC2CC3)CC[N@@H+]1C ZINC001459614324 937493624 /nfs/dbraw/zinc/49/36/24/937493624.db2.gz PSEBHSKYVRLBTN-WXGPCXSOSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC3CCC2CC3)CC[N@H+]1C ZINC001459614324 937493625 /nfs/dbraw/zinc/49/36/25/937493625.db2.gz PSEBHSKYVRLBTN-WXGPCXSOSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC3CCC2CC3)CC[NH+]1C ZINC001459614324 937493626 /nfs/dbraw/zinc/49/36/26/937493626.db2.gz PSEBHSKYVRLBTN-WXGPCXSOSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC3CCC2CC3)CC[NH+]1C ZINC001459614324 937493627 /nfs/dbraw/zinc/49/36/27/937493627.db2.gz PSEBHSKYVRLBTN-WXGPCXSOSA-N 2 1 264.457 3.227 20 0 CGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCC2CCCCC2)CCO1 ZINC001460537930 937534608 /nfs/dbraw/zinc/53/46/08/937534608.db2.gz QTHMKIMGWYMOAB-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC001460559493 937534803 /nfs/dbraw/zinc/53/48/03/937534803.db2.gz HYCSZRYKPHRVJV-XDNAFOTISA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC001460559493 937534806 /nfs/dbraw/zinc/53/48/06/937534806.db2.gz HYCSZRYKPHRVJV-XDNAFOTISA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001460559493 937534807 /nfs/dbraw/zinc/53/48/07/937534807.db2.gz HYCSZRYKPHRVJV-XDNAFOTISA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC001460559493 937534809 /nfs/dbraw/zinc/53/48/09/937534809.db2.gz HYCSZRYKPHRVJV-XDNAFOTISA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001460800753 937545720 /nfs/dbraw/zinc/54/57/20/937545720.db2.gz KDABKVJVFVAPBX-CVEARBPZSA-N 2 1 275.440 3.274 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000319954784 932034605 /nfs/dbraw/zinc/03/46/05/932034605.db2.gz PXEDJRBEYIIIGM-HNNXBMFYSA-N 2 1 298.430 3.409 20 0 CGADMP COc1ccsc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001461047570 937561410 /nfs/dbraw/zinc/56/14/10/937561410.db2.gz ZUAZDFRIXSMNQK-KBPBESRZSA-N 2 1 296.480 3.214 20 0 CGADMP COc1ccsc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001461047572 937561480 /nfs/dbraw/zinc/56/14/80/937561480.db2.gz ZUAZDFRIXSMNQK-ZIAGYGMSSA-N 2 1 296.480 3.214 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC001461276788 937574078 /nfs/dbraw/zinc/57/40/78/937574078.db2.gz RWTPVPGHVWQVTA-DOTOQJQBSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C)C2)C1 ZINC001461365877 937577967 /nfs/dbraw/zinc/57/79/67/937577967.db2.gz SYNPVZRYBQXDSG-XHSDSOJGSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cnc(C2CC2)s1)[NH+]1CCCCC1 ZINC001461434780 937581573 /nfs/dbraw/zinc/58/15/73/937581573.db2.gz YXBBJDJQPVUSCH-ZDUSSCGKSA-N 2 1 293.480 3.375 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCc2ccccc2CC1 ZINC001461483825 937582952 /nfs/dbraw/zinc/58/29/52/937582952.db2.gz KGUBGHQVGURFNS-OAHLLOKOSA-N 2 1 274.452 3.254 20 0 CGADMP COc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)ccc1C ZINC001461619521 937588784 /nfs/dbraw/zinc/58/87/84/937588784.db2.gz OMVXNWLJTZNPIR-UHFFFAOYSA-N 2 1 278.440 3.071 20 0 CGADMP COc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)ccc1C ZINC001461619521 937588787 /nfs/dbraw/zinc/58/87/87/937588787.db2.gz OMVXNWLJTZNPIR-UHFFFAOYSA-N 2 1 278.440 3.071 20 0 CGADMP CCNc1ccccc1C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001461916386 937606341 /nfs/dbraw/zinc/60/63/41/937606341.db2.gz XUCXNKNUNDFKLE-MRXNPFEDSA-N 2 1 289.467 3.282 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001461916386 937606342 /nfs/dbraw/zinc/60/63/42/937606342.db2.gz XUCXNKNUNDFKLE-MRXNPFEDSA-N 2 1 289.467 3.282 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC001331417844 932693169 /nfs/dbraw/zinc/69/31/69/932693169.db2.gz DHQGIOMRLOLFFQ-ZDUSSCGKSA-N 2 1 260.381 3.137 20 0 CGADMP CC(C)CCCC[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001462202195 937625042 /nfs/dbraw/zinc/62/50/42/937625042.db2.gz SJAGNUKUIJOBNE-QGZVFWFLSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001334200105 932766017 /nfs/dbraw/zinc/76/60/17/932766017.db2.gz CJTQKAUMHUCDCQ-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001462304604 937631379 /nfs/dbraw/zinc/63/13/79/937631379.db2.gz LXCCGTJGEQMTKL-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001462304604 937631382 /nfs/dbraw/zinc/63/13/82/937631382.db2.gz LXCCGTJGEQMTKL-VGWMRTNUSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1 ZINC001308088824 933045938 /nfs/dbraw/zinc/04/59/38/933045938.db2.gz JBCRURNNZOYBMX-INIZCTEOSA-N 2 1 295.430 3.355 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001308091174 933046344 /nfs/dbraw/zinc/04/63/44/933046344.db2.gz YBMHQUXTVYCPLY-ZACQAIPSSA-N 2 1 287.451 3.418 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001308121740 933053647 /nfs/dbraw/zinc/05/36/47/933053647.db2.gz RIDGVTOYTMUXQG-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001308121740 933053649 /nfs/dbraw/zinc/05/36/49/933053649.db2.gz RIDGVTOYTMUXQG-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC001308121740 933053652 /nfs/dbraw/zinc/05/36/52/933053652.db2.gz RIDGVTOYTMUXQG-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)[NH+]1CCCCC1 ZINC001308365877 933101261 /nfs/dbraw/zinc/10/12/61/933101261.db2.gz IDYNBABLSDUYKY-ZDUSSCGKSA-N 2 1 282.378 3.319 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC3CCC2CC3)CC1(C)C ZINC001308445482 933112634 /nfs/dbraw/zinc/11/26/34/933112634.db2.gz NDHJILNQTGJBAL-CKUJCDMFSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC001308553203 933130365 /nfs/dbraw/zinc/13/03/65/933130365.db2.gz IOXDZUFHGSYPHV-KCQAQPDRSA-N 2 1 298.352 3.135 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001308554972 933131668 /nfs/dbraw/zinc/13/16/68/933131668.db2.gz RYYVXPULBDNCNB-VNQPRFMTSA-N 2 1 290.451 3.315 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001308554972 933131670 /nfs/dbraw/zinc/13/16/70/933131670.db2.gz RYYVXPULBDNCNB-VNQPRFMTSA-N 2 1 290.451 3.315 20 0 CGADMP C[C@@H](C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C(C)(C)C ZINC001308930327 933205549 /nfs/dbraw/zinc/20/55/49/933205549.db2.gz IWGGOIIONAYURG-AWEZNQCLSA-N 2 1 286.423 3.381 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308983460 933220925 /nfs/dbraw/zinc/22/09/25/933220925.db2.gz DSHRVTSUNMJJTN-RFBLXINOSA-N 2 1 252.446 3.131 20 0 CGADMP CCOc1ccccc1[C@H](C)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001319190899 933839536 /nfs/dbraw/zinc/83/95/36/933839536.db2.gz UFVUUXNKUGIVAH-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC001319190899 933839539 /nfs/dbraw/zinc/83/95/39/933839539.db2.gz UFVUUXNKUGIVAH-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC001321090252 934148297 /nfs/dbraw/zinc/14/82/97/934148297.db2.gz JQBMNQYQLMNPIO-BYNSBNAKSA-N 2 1 284.513 3.369 20 0 CGADMP Fc1cccc2c1CC[C@H]2[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001322271850 934266981 /nfs/dbraw/zinc/26/69/81/934266981.db2.gz IEHDTXJQVJDRPU-RDTXWAMCSA-N 2 1 288.410 3.231 20 0 CGADMP Fc1cccc2c1CC[C@H]2[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001322271850 934266991 /nfs/dbraw/zinc/26/69/91/934266991.db2.gz IEHDTXJQVJDRPU-RDTXWAMCSA-N 2 1 288.410 3.231 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001322641958 934323706 /nfs/dbraw/zinc/32/37/06/934323706.db2.gz FTHVRGVEZBHIAK-UGUYLWEFSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC001322632139 934324157 /nfs/dbraw/zinc/32/41/57/934324157.db2.gz DRMCMXJRXZMZHD-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC001322632139 934324167 /nfs/dbraw/zinc/32/41/67/934324167.db2.gz DRMCMXJRXZMZHD-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407007 934498549 /nfs/dbraw/zinc/49/85/49/934498549.db2.gz HQKNXLIPVPFJIQ-GOEBONIOSA-N 2 1 292.471 3.155 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407007 934498558 /nfs/dbraw/zinc/49/85/58/934498558.db2.gz HQKNXLIPVPFJIQ-GOEBONIOSA-N 2 1 292.471 3.155 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Nc2ccccc2)CC1 ZINC001324752670 934564170 /nfs/dbraw/zinc/56/41/70/934564170.db2.gz QTMWBOAXLASWIQ-UHFFFAOYSA-N 2 1 298.434 3.158 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001473426359 937806483 /nfs/dbraw/zinc/80/64/83/937806483.db2.gz ZEDUJRZNXASCOK-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC001325218118 934896096 /nfs/dbraw/zinc/89/60/96/934896096.db2.gz TXTKRRGROFGPJE-BZUAXINKSA-N 2 1 270.436 3.226 20 0 CGADMP COc1ccc(Cl)cc1CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001325717698 934924474 /nfs/dbraw/zinc/92/44/74/934924474.db2.gz QFBJAACIPUYPHE-SWLSCSKDSA-N 2 1 296.842 3.011 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC001325722852 934924570 /nfs/dbraw/zinc/92/45/70/934924570.db2.gz OPCAIXBAPXTQTD-NWDGAFQWSA-N 2 1 276.380 3.090 20 0 CGADMP CC1(C)CC(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC001473586719 937812463 /nfs/dbraw/zinc/81/24/63/937812463.db2.gz XJUDGMGJORPUJL-UHFFFAOYSA-N 2 1 273.424 3.030 20 0 CGADMP C[C@@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC001326518867 934987357 /nfs/dbraw/zinc/98/73/57/934987357.db2.gz MMOAZVBSPAWHJM-HNNXBMFYSA-N 2 1 290.426 3.395 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC001326604013 934993945 /nfs/dbraw/zinc/99/39/45/934993945.db2.gz BJYZZWWXQUEJPP-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC001326604013 934993948 /nfs/dbraw/zinc/99/39/48/934993948.db2.gz BJYZZWWXQUEJPP-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCc1ccc(F)cc1F)C1CCCCC1 ZINC001327416217 935058105 /nfs/dbraw/zinc/05/81/05/935058105.db2.gz QLJIJEDFFBQLPY-INIZCTEOSA-N 2 1 282.378 3.005 20 0 CGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccnc(F)c1 ZINC001331278043 935364531 /nfs/dbraw/zinc/36/45/31/935364531.db2.gz ZKCOIXGTGARDMG-UHFFFAOYSA-N 2 1 293.430 3.355 20 0 CGADMP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC001332320758 935459152 /nfs/dbraw/zinc/45/91/52/935459152.db2.gz YAUPMQFDINWEKV-CQSZACIVSA-N 2 1 296.418 3.152 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC001333719968 936059232 /nfs/dbraw/zinc/05/92/32/936059232.db2.gz SDENQGQMBQFSLH-UHFFFAOYSA-N 2 1 294.464 3.309 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)C[C@H]2C1 ZINC001333891075 936073645 /nfs/dbraw/zinc/07/36/45/936073645.db2.gz JALPHMZMSLKTQL-LZLYRXPVSA-N 2 1 297.446 3.330 20 0 CGADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001333892495 936074347 /nfs/dbraw/zinc/07/43/47/936074347.db2.gz RZQYDUYGVZRZAJ-KKUMJFAQSA-N 2 1 292.492 3.473 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001335433335 936145371 /nfs/dbraw/zinc/14/53/71/936145371.db2.gz PMPQEFMOSYJWTE-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001335433335 936145373 /nfs/dbraw/zinc/14/53/73/936145373.db2.gz PMPQEFMOSYJWTE-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC001473760031 937820889 /nfs/dbraw/zinc/82/08/89/937820889.db2.gz VGSHPGVBOXIYHF-VQHPVUNQSA-N 2 1 285.435 3.028 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc(C)n1 ZINC001473910672 937829634 /nfs/dbraw/zinc/82/96/34/937829634.db2.gz XJIXMNRXBLXOON-UHFFFAOYSA-N 2 1 289.467 3.443 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc(C)n1 ZINC001473910672 937829635 /nfs/dbraw/zinc/82/96/35/937829635.db2.gz XJIXMNRXBLXOON-UHFFFAOYSA-N 2 1 289.467 3.443 20 0 CGADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001474301156 937849284 /nfs/dbraw/zinc/84/92/84/937849284.db2.gz GIXFJROFOCQOQH-KWXGJIJISA-N 2 1 278.484 3.379 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001474302058 937849710 /nfs/dbraw/zinc/84/97/10/937849710.db2.gz RWKYEXBFGRTYNE-GLUHHBOGSA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@](C)(C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339268 937852673 /nfs/dbraw/zinc/85/26/73/937852673.db2.gz HDDGLRDLKPVJTN-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1(C)C ZINC001474628197 937871493 /nfs/dbraw/zinc/87/14/93/937871493.db2.gz AOTXAPIVHPYUOQ-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1C[N@@H+](CC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001521023604 938029327 /nfs/dbraw/zinc/02/93/27/938029327.db2.gz CFXOKTNXJWMJDD-HNNXBMFYSA-N 2 1 273.424 3.172 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CC[C@H]([NH3+])C1 ZINC001550936557 938172863 /nfs/dbraw/zinc/17/28/63/938172863.db2.gz WDDOSTMRUNEFNA-XIRDDKMYSA-N 2 1 272.436 3.382 20 0 CGADMP Clc1ccc(C2CC([NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC001553025457 938196025 /nfs/dbraw/zinc/19/60/25/938196025.db2.gz FRVKHSYHTADOGK-BCLQGDPASA-N 2 1 290.838 3.460 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1C ZINC001560043792 938242577 /nfs/dbraw/zinc/24/25/77/938242577.db2.gz KOMGIRPPQLIVPJ-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1C ZINC001560043792 938242578 /nfs/dbraw/zinc/24/25/78/938242578.db2.gz KOMGIRPPQLIVPJ-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1C ZINC001560043792 938242579 /nfs/dbraw/zinc/24/25/79/938242579.db2.gz KOMGIRPPQLIVPJ-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1C ZINC001560043792 938242580 /nfs/dbraw/zinc/24/25/80/938242580.db2.gz KOMGIRPPQLIVPJ-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001560155156 938245210 /nfs/dbraw/zinc/24/52/10/938245210.db2.gz CPTIAUYFJVIPOO-KRWDZBQOSA-N 2 1 295.430 3.409 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC001560533990 938261880 /nfs/dbraw/zinc/26/18/80/938261880.db2.gz KTZRMIYWQMGQML-SFHVURJKSA-N 2 1 274.452 3.461 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001560819633 938277984 /nfs/dbraw/zinc/27/79/84/938277984.db2.gz WAKKIGQURLFJQZ-INIZCTEOSA-N 2 1 252.446 3.421 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001560819633 938277985 /nfs/dbraw/zinc/27/79/85/938277985.db2.gz WAKKIGQURLFJQZ-INIZCTEOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039070 938290835 /nfs/dbraw/zinc/29/08/35/938290835.db2.gz HUSPGOFWADBIKG-CABCVRRESA-N 2 1 254.462 3.332 20 0 CGADMP Cc1cccc(F)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222270973 960403793 /nfs/dbraw/zinc/40/37/93/960403793.db2.gz BLDOMWJTUWQYBL-KRWDZBQOSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222270973 960403797 /nfs/dbraw/zinc/40/37/97/960403797.db2.gz BLDOMWJTUWQYBL-KRWDZBQOSA-N 2 1 276.399 3.100 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CCCN2 ZINC001222271744 960404043 /nfs/dbraw/zinc/40/40/43/960404043.db2.gz IYUZJXHFVMLOFO-IBGZPJMESA-N 2 1 299.462 3.010 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001258774406 960428469 /nfs/dbraw/zinc/42/84/69/960428469.db2.gz NETAVTHLDVCOSW-SFHVURJKSA-N 2 1 288.435 3.014 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC001575423843 960469857 /nfs/dbraw/zinc/46/98/57/960469857.db2.gz YZWMRYPOVHIBMK-HZPDHXFCSA-N 2 1 278.465 3.007 20 0 CGADMP CC(C)(C[NH3+])C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC001575315530 962369157 /nfs/dbraw/zinc/36/91/57/962369157.db2.gz RBISYKFKMLNADQ-CQSZACIVSA-N 2 1 278.465 3.086 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001575498068 962379254 /nfs/dbraw/zinc/37/92/54/962379254.db2.gz IDJIYBQPHIVEHC-RDHHWEPZSA-N 2 1 266.473 3.366 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2coc3ccccc23)[C@H]2CCC[NH2+][C@H]21 ZINC001576392146 962459195 /nfs/dbraw/zinc/45/91/95/962459195.db2.gz XTWJAWJOZPPJTO-USXIJHARSA-N 2 1 284.403 3.299 20 0 CGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001576798957 962492060 /nfs/dbraw/zinc/49/20/60/962492060.db2.gz ZNWQLLOVECCUPX-QWQRMKEZSA-N 2 1 272.436 3.153 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001576749565 962495870 /nfs/dbraw/zinc/49/58/70/962495870.db2.gz RMGGUPZKTACMJC-HJODHOHWSA-N 2 1 294.483 3.090 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)CC1 ZINC001577204792 962517095 /nfs/dbraw/zinc/51/70/95/962517095.db2.gz ARRLJPSDVKKHFP-WJTFHPDPSA-N 2 1 252.446 3.321 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2c(C)cccc2Cl)CC[C@H]1[NH3+] ZINC001577279521 962526351 /nfs/dbraw/zinc/52/63/51/962526351.db2.gz JTFHUOWYLFLSRE-IUODEOHRSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2c(C)cccc2Cl)CC[C@H]1[NH3+] ZINC001577279521 962526367 /nfs/dbraw/zinc/52/63/67/962526367.db2.gz JTFHUOWYLFLSRE-IUODEOHRSA-N 2 1 266.816 3.208 20 0 CGADMP CCC[C@H](C[NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC001577357916 962528650 /nfs/dbraw/zinc/52/86/50/962528650.db2.gz KLHIQDJRIIRSKJ-HZPDHXFCSA-N 2 1 260.425 3.158 20 0 CGADMP CC[N@@H+](c1ccc(NCC23CC(C2)C[NH2+]3)cc1)C(C)C ZINC001577745056 962560981 /nfs/dbraw/zinc/56/09/81/962560981.db2.gz AJCABPZXAQTUCB-UHFFFAOYSA-N 2 1 273.424 3.085 20 0 CGADMP CC[N@H+](c1ccc(NCC23CC(C2)C[NH2+]3)cc1)C(C)C ZINC001577745056 962560999 /nfs/dbraw/zinc/56/09/99/962560999.db2.gz AJCABPZXAQTUCB-UHFFFAOYSA-N 2 1 273.424 3.085 20 0 CGADMP CC[N@@H+](CCOc1ccccc1C)CC[C@@H]1CCC[NH2+]C1 ZINC001577725521 962566340 /nfs/dbraw/zinc/56/63/40/962566340.db2.gz ANCCYBQZXSFPNJ-KRWDZBQOSA-N 2 1 290.451 3.085 20 0 CGADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC001578241670 962574800 /nfs/dbraw/zinc/57/48/00/962574800.db2.gz HQNKLDXUZGUTJX-CABCVRRESA-N 2 1 284.806 3.142 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1ccccc1F ZINC001578234401 962576791 /nfs/dbraw/zinc/57/67/91/962576791.db2.gz YDJGNWJLHFUQFW-BBRMVZONSA-N 2 1 264.388 3.256 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001578686958 962590206 /nfs/dbraw/zinc/59/02/06/962590206.db2.gz GFCWRZYZTIDTDY-AWEZNQCLSA-N 2 1 264.388 3.005 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC(C(C)(C)C)CC1 ZINC001578486054 962592541 /nfs/dbraw/zinc/59/25/41/962592541.db2.gz KIJUITFKPCKMHX-MWYNGPNVSA-N 2 1 252.446 3.260 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC001579535911 962638451 /nfs/dbraw/zinc/63/84/51/962638451.db2.gz WZGAPPNDWMSFQV-CYBMUJFWSA-N 2 1 254.805 3.111 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H]3C[NH2+]C[C@@H](C)C3)CCC2)cc1C ZINC001579678333 962653455 /nfs/dbraw/zinc/65/34/55/962653455.db2.gz QSCPBYAGRWKJQI-KSSFIOAISA-N 2 1 286.463 3.313 20 0 CGADMP Cc1ccc(CCC[NH2+]C[C@H]([NH3+])CC(F)(F)F)c(C)c1 ZINC001579685508 962654195 /nfs/dbraw/zinc/65/41/95/962654195.db2.gz QMDAUYFUKIKKLA-CQSZACIVSA-N 2 1 288.357 3.105 20 0 CGADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC3(C[NH3+])CCC3)C2)cc1 ZINC001579677831 962656326 /nfs/dbraw/zinc/65/63/26/962656326.db2.gz DESDECINIIEQMV-DOTOQJQBSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)[nH]c2c1 ZINC001579739834 962660449 /nfs/dbraw/zinc/66/04/49/962660449.db2.gz BQMNKTLLUZSNRB-ZFWWWQNUSA-N 2 1 271.408 3.036 20 0 CGADMP FC1(F)CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001580024508 962688642 /nfs/dbraw/zinc/68/86/42/962688642.db2.gz YNLSHERSALFPNK-BPUTZDHNSA-N 2 1 294.389 3.157 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001580262934 962711211 /nfs/dbraw/zinc/71/12/11/962711211.db2.gz DBXKBAZZEUEOBA-ZDUSSCGKSA-N 2 1 272.367 3.150 20 0 CGADMP c1ccc(C[N@H+](CC2CC3(CCC3)C2)C2CC[NH2+]CC2)nc1 ZINC001580893018 962739314 /nfs/dbraw/zinc/73/93/14/962739314.db2.gz PVUMJYPPJZJYCC-UHFFFAOYSA-N 2 1 299.462 3.216 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC001580893166 962746481 /nfs/dbraw/zinc/74/64/81/962746481.db2.gz VUUPJUYNRKVYEM-KRWDZBQOSA-N 2 1 287.451 3.041 20 0 CGADMP CCCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000621327215 349496605 /nfs/dbraw/zinc/49/66/05/349496605.db2.gz GKEWSBPQWWUCSH-UHFFFAOYSA-N 2 1 278.465 3.417 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000621330001 349497252 /nfs/dbraw/zinc/49/72/52/349497252.db2.gz WDGPQHYAKDQQPY-KGLIPLIRSA-N 2 1 278.465 3.417 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000337488450 214115577 /nfs/dbraw/zinc/11/55/77/214115577.db2.gz UOGPISHRJZLBIN-ZWKOTPCHSA-N 2 1 284.447 3.431 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000127765962 187331551 /nfs/dbraw/zinc/33/15/51/187331551.db2.gz OQMVWCBVFDSZOJ-CABCVRRESA-N 2 1 278.415 3.251 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273088676 192039032 /nfs/dbraw/zinc/03/90/32/192039032.db2.gz QWKICKGDJHFVCK-GJZGRUSLSA-N 2 1 288.435 3.139 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125157619 187172549 /nfs/dbraw/zinc/17/25/49/187172549.db2.gz XITCONNGJNIAKC-BPQIPLTHSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125157619 187172550 /nfs/dbraw/zinc/17/25/50/187172550.db2.gz XITCONNGJNIAKC-BPQIPLTHSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125157619 187172551 /nfs/dbraw/zinc/17/25/51/187172551.db2.gz XITCONNGJNIAKC-BPQIPLTHSA-N 2 1 272.436 3.349 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273088673 192039843 /nfs/dbraw/zinc/03/98/43/192039843.db2.gz QWKICKGDJHFVCK-CABCVRRESA-N 2 1 288.435 3.139 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000651692759 398270332 /nfs/dbraw/zinc/27/03/32/398270332.db2.gz QPHHKZLOSJOATN-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000651692759 398270334 /nfs/dbraw/zinc/27/03/34/398270334.db2.gz QPHHKZLOSJOATN-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1csc3ccccc13)C2 ZINC000621782117 349585183 /nfs/dbraw/zinc/58/51/83/349585183.db2.gz MQXLSWKTHGJQSD-CJNGLKHVSA-N 2 1 272.417 3.215 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1csc3ccccc13)C2 ZINC000621782117 349585186 /nfs/dbraw/zinc/58/51/86/349585186.db2.gz MQXLSWKTHGJQSD-CJNGLKHVSA-N 2 1 272.417 3.215 20 0 CGADMP c1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000096950588 185139036 /nfs/dbraw/zinc/13/90/36/185139036.db2.gz IYSIEDGMQSECQG-QGZVFWFLSA-N 2 1 258.409 3.041 20 0 CGADMP C=Cn1cc(C[NH2+]CCC[N@@H+](CC)C2CCCCC2)cn1 ZINC000651909917 398304508 /nfs/dbraw/zinc/30/45/08/398304508.db2.gz ADWBSKYNOBJLRG-UHFFFAOYSA-N 2 1 290.455 3.118 20 0 CGADMP C=Cn1cc(C[NH2+]CCC[N@H+](CC)C2CCCCC2)cn1 ZINC000651909917 398304509 /nfs/dbraw/zinc/30/45/09/398304509.db2.gz ADWBSKYNOBJLRG-UHFFFAOYSA-N 2 1 290.455 3.118 20 0 CGADMP CCOC[C@@H](C)[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000651910100 398304656 /nfs/dbraw/zinc/30/46/56/398304656.db2.gz GVLMPEYJGFCDOB-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000423477353 529453130 /nfs/dbraw/zinc/45/31/30/529453130.db2.gz TVAOZWFWNGKCBF-XJKSGUPXSA-N 2 1 260.381 3.457 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322424 529579450 /nfs/dbraw/zinc/57/94/50/529579450.db2.gz FCDKPXPYHXCBLP-WMZOPIPTSA-N 2 1 272.436 3.071 20 0 CGADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000423206448 290655711 /nfs/dbraw/zinc/65/57/11/290655711.db2.gz WYIHUUFHVIKKEE-INIZCTEOSA-N 2 1 276.424 3.223 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)[C@@H]1C[C@@H]1C ZINC000414131876 529585692 /nfs/dbraw/zinc/58/56/92/529585692.db2.gz YLSSMLJQLJDQDH-XKQJLSEDSA-N 2 1 287.451 3.383 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423366265 529605501 /nfs/dbraw/zinc/60/55/01/529605501.db2.gz QCKAROUPAHHTST-DOMZBBRYSA-N 2 1 268.351 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000126107123 187217817 /nfs/dbraw/zinc/21/78/17/187217817.db2.gz HARSLSFYMQEWOH-RDBSUJKOSA-N 2 1 280.481 3.344 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C(C)C ZINC000623338860 349782417 /nfs/dbraw/zinc/78/24/17/349782417.db2.gz YTMBBSGDHFUDPX-KBMXLJTQSA-N 2 1 252.446 3.129 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1cccc(Cl)c1F ZINC000423278470 529617743 /nfs/dbraw/zinc/61/77/43/529617743.db2.gz QYTBAGHOUDCJNX-MFKMUULPSA-N 2 1 272.795 3.375 20 0 CGADMP CCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623354967 349787371 /nfs/dbraw/zinc/78/73/71/349787371.db2.gz QTWMWQJEFMMVOJ-KRWDZBQOSA-N 2 1 290.451 3.186 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)ccc1OC ZINC000423392744 529659127 /nfs/dbraw/zinc/65/91/27/529659127.db2.gz LZHDMWLNHJNOEY-BYCMXARLSA-N 2 1 296.842 3.387 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)F ZINC000423385505 529659901 /nfs/dbraw/zinc/65/99/01/529659901.db2.gz QVGNWZIDNQNCLO-BZPMIXESSA-N 2 1 298.377 3.469 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370954 349792758 /nfs/dbraw/zinc/79/27/58/349792758.db2.gz GDEPEDGORZGAEW-INIZCTEOSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370954 349792761 /nfs/dbraw/zinc/79/27/61/349792761.db2.gz GDEPEDGORZGAEW-INIZCTEOSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000093065368 529667757 /nfs/dbraw/zinc/66/77/57/529667757.db2.gz XYVVJFWRKMUTBB-JKSUJKDBSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000093065368 529667759 /nfs/dbraw/zinc/66/77/59/529667759.db2.gz XYVVJFWRKMUTBB-JKSUJKDBSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(OC)c(OC)c1 ZINC000423271235 529668815 /nfs/dbraw/zinc/66/88/15/529668815.db2.gz XQFYLNMZZMNVSW-GJZGRUSLSA-N 2 1 294.439 3.118 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1F ZINC000423409770 529671588 /nfs/dbraw/zinc/67/15/88/529671588.db2.gz ZGPYBRCSSJACBE-LKTVYLICSA-N 2 1 268.351 3.004 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(F)cc2)CC1(C)C ZINC000623385060 349796345 /nfs/dbraw/zinc/79/63/45/349796345.db2.gz ZUGOEHHMLHQCNG-HNNXBMFYSA-N 2 1 294.414 3.057 20 0 CGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1Cl ZINC000623383851 349795057 /nfs/dbraw/zinc/79/50/57/349795057.db2.gz DGAGDODHPILTMH-CQSZACIVSA-N 2 1 296.842 3.169 20 0 CGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1Cl ZINC000623383851 349795060 /nfs/dbraw/zinc/79/50/60/349795060.db2.gz DGAGDODHPILTMH-CQSZACIVSA-N 2 1 296.842 3.169 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2[C@H](C)CCC[C@@H]2C)cn1 ZINC000126423452 187238618 /nfs/dbraw/zinc/23/86/18/187238618.db2.gz JEDCALRAKZDJCJ-UUVAVEHKSA-N 2 1 298.434 3.490 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623406351 349800565 /nfs/dbraw/zinc/80/05/65/349800565.db2.gz UXRFWUWWVFWCEH-MRXNPFEDSA-N 2 1 290.451 3.226 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623408028 349800615 /nfs/dbraw/zinc/80/06/15/349800615.db2.gz FALVJABTNAYLMO-NVXWUHKLSA-N 2 1 272.436 3.445 20 0 CGADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623417064 349802582 /nfs/dbraw/zinc/80/25/82/349802582.db2.gz RBPNRSIVXXGMNX-GDBMZVCRSA-N 2 1 290.451 3.089 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1cccs1 ZINC000623430739 349807111 /nfs/dbraw/zinc/80/71/11/349807111.db2.gz CLFNTXKGEUCHBZ-KBPBESRZSA-N 2 1 280.481 3.389 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623541085 349829922 /nfs/dbraw/zinc/82/99/22/349829922.db2.gz SLHVDTZJQWCDFD-MRXNPFEDSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@@H]1C ZINC000623657210 349858728 /nfs/dbraw/zinc/85/87/28/349858728.db2.gz LGZICMFVYKNUHJ-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000623654781 349856748 /nfs/dbraw/zinc/85/67/48/349856748.db2.gz IWTPNXMHDJMGBR-CQSZACIVSA-N 2 1 298.377 3.110 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000623656525 349857663 /nfs/dbraw/zinc/85/76/63/349857663.db2.gz WDOWFUVUFAIYER-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000576280091 335182015 /nfs/dbraw/zinc/18/20/15/335182015.db2.gz RNGUKTWPTVZLRN-ZWKOTPCHSA-N 2 1 272.436 3.256 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC=CCC2)CC1(C)C ZINC000623698558 349868735 /nfs/dbraw/zinc/86/87/35/349868735.db2.gz MSHFCNOVXPZUMO-GJZGRUSLSA-N 2 1 250.430 3.195 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C1CCCC1 ZINC000365065437 529918111 /nfs/dbraw/zinc/91/81/11/529918111.db2.gz QWUOOUOSMQHCEV-RYQLBKOJSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C1CCCC1 ZINC000365065437 529918113 /nfs/dbraw/zinc/91/81/13/529918113.db2.gz QWUOOUOSMQHCEV-RYQLBKOJSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1csc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)n1 ZINC000623857856 349897478 /nfs/dbraw/zinc/89/74/78/349897478.db2.gz ZELVEAASVOPTHJ-ZDUSSCGKSA-N 2 1 289.448 3.364 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000127067940 187280741 /nfs/dbraw/zinc/28/07/41/187280741.db2.gz MWLCWNQPNMKCSJ-NNGSBXSVSA-N 2 1 283.419 3.363 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423276438 530000060 /nfs/dbraw/zinc/00/00/60/530000060.db2.gz ONMKOODHGDSWGF-HNAYVOBHSA-N 2 1 298.430 3.230 20 0 CGADMP CSc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622250 344964022 /nfs/dbraw/zinc/96/40/22/344964022.db2.gz YLMIXUSMPFWYPS-OAHLLOKOSA-N 2 1 278.465 3.228 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000040623234 344964580 /nfs/dbraw/zinc/96/45/80/344964580.db2.gz DTYYYWOFWHTJOD-QGZVFWFLSA-N 2 1 274.452 3.432 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)o1 ZINC000273243092 192085099 /nfs/dbraw/zinc/08/50/99/192085099.db2.gz BYLPHBKNIBKYPP-DGCLKSJQSA-N 2 1 275.396 3.388 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054240920 345130850 /nfs/dbraw/zinc/13/08/50/345130850.db2.gz DOSLIGNJUOMGBM-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])Nc2ccccc2)C1 ZINC000066244621 345285378 /nfs/dbraw/zinc/28/53/78/345285378.db2.gz ZGKITQCDYWDDQW-AWEZNQCLSA-N 2 1 288.439 3.133 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000076002040 345530194 /nfs/dbraw/zinc/53/01/94/345530194.db2.gz KFUIFUSYQVUOIR-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000076002040 345530198 /nfs/dbraw/zinc/53/01/98/345530198.db2.gz KFUIFUSYQVUOIR-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)[C@H](C)C1 ZINC000090105191 345782814 /nfs/dbraw/zinc/78/28/14/345782814.db2.gz IDWSQRDCALGNCY-MXASKKJJSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043082 345828308 /nfs/dbraw/zinc/82/83/08/345828308.db2.gz YAYRCDSOKJVQDG-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043082 345828310 /nfs/dbraw/zinc/82/83/10/345828310.db2.gz YAYRCDSOKJVQDG-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043082 345828312 /nfs/dbraw/zinc/82/83/12/345828312.db2.gz YAYRCDSOKJVQDG-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043082 345828314 /nfs/dbraw/zinc/82/83/14/345828314.db2.gz YAYRCDSOKJVQDG-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP C[N@H+](CCOc1cccc(F)c1)CC[C@@H]1CCCC[NH+]1C ZINC000351648656 219163271 /nfs/dbraw/zinc/16/32/71/219163271.db2.gz UGESOACGPSXINK-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP C[N@@H+](CCOc1cccc(F)c1)CC[C@@H]1CCCC[NH+]1C ZINC000351648656 219163273 /nfs/dbraw/zinc/16/32/73/219163273.db2.gz UGESOACGPSXINK-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1cccc(F)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000351648656 219163275 /nfs/dbraw/zinc/16/32/75/219163275.db2.gz UGESOACGPSXINK-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1cccc(F)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000351648656 219163277 /nfs/dbraw/zinc/16/32/77/219163277.db2.gz UGESOACGPSXINK-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000124547636 346013138 /nfs/dbraw/zinc/01/31/38/346013138.db2.gz DBVKZAOOMAFEMC-GUYCJALGSA-N 2 1 254.377 3.151 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175909650 232327340 /nfs/dbraw/zinc/32/73/40/232327340.db2.gz XOWRZAPESDHURO-SFHVURJKSA-N 2 1 286.463 3.345 20 0 CGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130625895 346059369 /nfs/dbraw/zinc/05/93/69/346059369.db2.gz NQFDAPCOAMEEMC-JQHSSLGASA-N 2 1 288.435 3.035 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1c[nH]c2ncccc12 ZINC000126605468 346026114 /nfs/dbraw/zinc/02/61/14/346026114.db2.gz FTQPTENETNJWOT-AVOUXACISA-N 2 1 298.434 3.229 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1c[nH]c2ncccc12 ZINC000126605468 346026118 /nfs/dbraw/zinc/02/61/18/346026118.db2.gz FTQPTENETNJWOT-AVOUXACISA-N 2 1 298.434 3.229 20 0 CGADMP c1ccc2c(c1)ccnc2C[NH2+]CCC[NH+]1CCCCC1 ZINC000134738373 346083765 /nfs/dbraw/zinc/08/37/65/346083765.db2.gz AJMUICKTYFCTIG-UHFFFAOYSA-N 2 1 283.419 3.200 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178039624 232380497 /nfs/dbraw/zinc/38/04/97/232380497.db2.gz WQQRYERUTIZCKH-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000312998656 346478449 /nfs/dbraw/zinc/47/84/49/346478449.db2.gz WBVCSTJMWVQHPV-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCCC12CCCC2)C(C)C ZINC000584712636 346708794 /nfs/dbraw/zinc/70/87/94/346708794.db2.gz NQCCKKPWVXRUNN-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCCC12CCCC2)C(C)C ZINC000584712636 346708797 /nfs/dbraw/zinc/70/87/97/346708797.db2.gz NQCCKKPWVXRUNN-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC[C@@H](C)F)C1)CCCC2 ZINC000351821281 219215692 /nfs/dbraw/zinc/21/56/92/219215692.db2.gz HMNGDBXZPRCKNV-OCCSQVGLSA-N 2 1 279.403 3.065 20 0 CGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC[C@@H](C)F)C1)CCCC2 ZINC000351821281 219215695 /nfs/dbraw/zinc/21/56/95/219215695.db2.gz HMNGDBXZPRCKNV-OCCSQVGLSA-N 2 1 279.403 3.065 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000624120581 349977192 /nfs/dbraw/zinc/97/71/92/349977192.db2.gz BWHCIPJMOJVSDS-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000624120581 349977194 /nfs/dbraw/zinc/97/71/94/349977194.db2.gz BWHCIPJMOJVSDS-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624122143 349979753 /nfs/dbraw/zinc/97/97/53/349979753.db2.gz KTWYWANWYOWOBY-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120841 349978375 /nfs/dbraw/zinc/97/83/75/349978375.db2.gz ICPCGCTWZYLJJO-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000339405944 215150266 /nfs/dbraw/zinc/15/02/66/215150266.db2.gz DQEJWBMIGPXOAT-ZIAGYGMSSA-N 2 1 293.480 3.133 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3c(F)cccc3Cl)C[C@H]12 ZINC000339408337 215152843 /nfs/dbraw/zinc/15/28/43/215152843.db2.gz ZFBZUKUOFTZFLJ-DETPVDSQSA-N 2 1 296.817 3.081 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)s1 ZINC000339426020 215162566 /nfs/dbraw/zinc/16/25/66/215162566.db2.gz IXUUTWLMBMWSBQ-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)s1 ZINC000339426020 215162568 /nfs/dbraw/zinc/16/25/68/215162568.db2.gz IXUUTWLMBMWSBQ-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)s1 ZINC000339426020 215162570 /nfs/dbraw/zinc/16/25/70/215162570.db2.gz IXUUTWLMBMWSBQ-INIZCTEOSA-N 2 1 278.465 3.283 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccccc3)C2)C1 ZINC000339436567 215170314 /nfs/dbraw/zinc/17/03/14/215170314.db2.gz JVZAZOCFZZTCTL-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccccc3)C2)C1 ZINC000339436567 215170315 /nfs/dbraw/zinc/17/03/15/215170315.db2.gz JVZAZOCFZZTCTL-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C\c3ccccc3)C2)C1 ZINC000339436567 215170316 /nfs/dbraw/zinc/17/03/16/215170316.db2.gz JVZAZOCFZZTCTL-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C\c3ccccc3)C2)C1 ZINC000339436567 215170317 /nfs/dbraw/zinc/17/03/17/215170317.db2.gz JVZAZOCFZZTCTL-ZETNRXDVSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000339438896 215171868 /nfs/dbraw/zinc/17/18/68/215171868.db2.gz QTEOXXZULZALTQ-RTBURBONSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000339438896 215171869 /nfs/dbraw/zinc/17/18/69/215171869.db2.gz QTEOXXZULZALTQ-RTBURBONSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000339438896 215171871 /nfs/dbraw/zinc/17/18/71/215171871.db2.gz QTEOXXZULZALTQ-RTBURBONSA-N 2 1 284.447 3.482 20 0 CGADMP c1cc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cs1 ZINC000359212305 233280072 /nfs/dbraw/zinc/28/00/72/233280072.db2.gz GVMVRAIRXRASFW-HNNXBMFYSA-N 2 1 264.438 3.275 20 0 CGADMP Oc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000625252787 350146983 /nfs/dbraw/zinc/14/69/83/350146983.db2.gz JYKJSDONZUDHIF-NSHDSACASA-N 2 1 291.782 3.148 20 0 CGADMP C[C@@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@@H](C)C1(F)F ZINC000625652164 350189869 /nfs/dbraw/zinc/18/98/69/350189869.db2.gz BXCPZWHHKGNUEY-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[C@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@H](C)C1(F)F ZINC000625652162 350190527 /nfs/dbraw/zinc/19/05/27/350190527.db2.gz BXCPZWHHKGNUEY-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062741 350254975 /nfs/dbraw/zinc/25/49/75/350254975.db2.gz FCHCQHOUHOFVEN-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC000628128793 350404518 /nfs/dbraw/zinc/40/45/18/350404518.db2.gz XTNYZDAPKHBLAN-UHFFFAOYSA-N 2 1 285.435 3.473 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628229736 350451472 /nfs/dbraw/zinc/45/14/72/350451472.db2.gz GUOCFZSYPZNLQU-HOTGVXAUSA-N 2 1 284.513 3.230 20 0 CGADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628409668 350531797 /nfs/dbraw/zinc/53/17/97/350531797.db2.gz XEZMPCMVXJDEGW-CALCHBBNSA-N 2 1 272.436 3.096 20 0 CGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000628409668 350531800 /nfs/dbraw/zinc/53/18/00/350531800.db2.gz XEZMPCMVXJDEGW-CALCHBBNSA-N 2 1 272.436 3.096 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000628409668 350531804 /nfs/dbraw/zinc/53/18/04/350531804.db2.gz XEZMPCMVXJDEGW-CALCHBBNSA-N 2 1 272.436 3.096 20 0 CGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628409668 350531808 /nfs/dbraw/zinc/53/18/08/350531808.db2.gz XEZMPCMVXJDEGW-CALCHBBNSA-N 2 1 272.436 3.096 20 0 CGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628409668 350531811 /nfs/dbraw/zinc/53/18/11/350531811.db2.gz XEZMPCMVXJDEGW-CALCHBBNSA-N 2 1 272.436 3.096 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(C)C)nc2C)CC[C@H]1[NH3+] ZINC000629527787 350703400 /nfs/dbraw/zinc/70/34/00/350703400.db2.gz GADSEOUGINLTRB-GOEBONIOSA-N 2 1 275.440 3.073 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000629593170 350716399 /nfs/dbraw/zinc/71/63/99/350716399.db2.gz HCOCHAYWZYUTFE-KURKYZTESA-N 2 1 288.410 3.135 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000629540482 350706682 /nfs/dbraw/zinc/70/66/82/350706682.db2.gz UYRAUTAXHOVFPX-KSSFIOAISA-N 2 1 289.467 3.463 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000629540471 350706890 /nfs/dbraw/zinc/70/68/90/350706890.db2.gz UYRAUTAXHOVFPX-KBXCAEBGSA-N 2 1 289.467 3.463 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000629540296 350706906 /nfs/dbraw/zinc/70/69/06/350706906.db2.gz OPWVNNZRUWYXAQ-KEYYUXOJSA-N 2 1 289.467 3.319 20 0 CGADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000629548570 350710186 /nfs/dbraw/zinc/71/01/86/350710186.db2.gz HLTNWHAKMKDSAB-OKILXGFUSA-N 2 1 272.383 3.028 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000629389352 350687421 /nfs/dbraw/zinc/68/74/21/350687421.db2.gz WYBQDLOIXVFJRY-WCFLWFBJSA-N 2 1 286.872 3.453 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc2c1 ZINC000629514344 350699600 /nfs/dbraw/zinc/69/96/00/350699600.db2.gz RCYZCBIOBHUBTR-KRWDZBQOSA-N 2 1 285.435 3.348 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc2c1 ZINC000629514344 350699603 /nfs/dbraw/zinc/69/96/03/350699603.db2.gz RCYZCBIOBHUBTR-KRWDZBQOSA-N 2 1 285.435 3.348 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000629514483 350699805 /nfs/dbraw/zinc/69/98/05/350699805.db2.gz MIULLZNERIBRMC-OFQRWUPVSA-N 2 1 294.826 3.063 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629662838 350732850 /nfs/dbraw/zinc/73/28/50/350732850.db2.gz DQBFRBNRYVDPSN-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629671829 350734037 /nfs/dbraw/zinc/73/40/37/350734037.db2.gz IALPVVHRFRBHPB-USXIJHARSA-N 2 1 260.425 3.156 20 0 CGADMP Cc1[nH+]cc(-c2ccc(C[NH+]3CCCCC3)cc2)n1C ZINC000630052289 350801729 /nfs/dbraw/zinc/80/17/29/350801729.db2.gz UATRRJIXLGDYIV-UHFFFAOYSA-N 2 1 269.392 3.381 20 0 CGADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000630060176 350804147 /nfs/dbraw/zinc/80/41/47/350804147.db2.gz IXOSFYRJGVXGMZ-HUUCEWRRSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631166837 350975932 /nfs/dbraw/zinc/97/59/32/350975932.db2.gz BPJZZVMTRPRSJO-UHFFFAOYSA-N 2 1 285.382 3.087 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631166837 350975933 /nfs/dbraw/zinc/97/59/33/350975933.db2.gz BPJZZVMTRPRSJO-UHFFFAOYSA-N 2 1 285.382 3.087 20 0 CGADMP CC(C)(F)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000631188687 350984196 /nfs/dbraw/zinc/98/41/96/350984196.db2.gz KKHCFBJWEHWBBB-UHFFFAOYSA-N 2 1 256.409 3.121 20 0 CGADMP FC(F)c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890711 351152727 /nfs/dbraw/zinc/15/27/27/351152727.db2.gz SKZLKXRARROBIX-CABCVRRESA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890711 351152730 /nfs/dbraw/zinc/15/27/30/351152730.db2.gz SKZLKXRARROBIX-CABCVRRESA-N 2 1 280.362 3.198 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336514452 213391540 /nfs/dbraw/zinc/39/15/40/213391540.db2.gz FTMYBXCHXARYPP-ZIAGYGMSSA-N 2 1 264.388 3.303 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000121457915 186974326 /nfs/dbraw/zinc/97/43/26/186974326.db2.gz KNYGVAFAVTVXDY-KGLIPLIRSA-N 2 1 275.396 3.032 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC000121505824 186977268 /nfs/dbraw/zinc/97/72/68/186977268.db2.gz KWCKNFHHWNFGEF-KSSFIOAISA-N 2 1 283.419 3.495 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123508796 187096180 /nfs/dbraw/zinc/09/61/80/187096180.db2.gz UNYBLNUPVSINBJ-RDJZCZTQSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123508796 187096181 /nfs/dbraw/zinc/09/61/81/187096181.db2.gz UNYBLNUPVSINBJ-RDJZCZTQSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123508796 187096182 /nfs/dbraw/zinc/09/61/82/187096182.db2.gz UNYBLNUPVSINBJ-RDJZCZTQSA-N 2 1 290.451 3.388 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123508796 187096183 /nfs/dbraw/zinc/09/61/83/187096183.db2.gz UNYBLNUPVSINBJ-RDJZCZTQSA-N 2 1 290.451 3.388 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123794550 187108977 /nfs/dbraw/zinc/10/89/77/187108977.db2.gz ANNFXBOVFCGEPQ-IUODEOHRSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123794550 187108978 /nfs/dbraw/zinc/10/89/78/187108978.db2.gz ANNFXBOVFCGEPQ-IUODEOHRSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000123794550 187108979 /nfs/dbraw/zinc/10/89/79/187108979.db2.gz ANNFXBOVFCGEPQ-IUODEOHRSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000123794550 187108980 /nfs/dbraw/zinc/10/89/80/187108980.db2.gz ANNFXBOVFCGEPQ-IUODEOHRSA-N 2 1 266.816 3.255 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000271544082 191203467 /nfs/dbraw/zinc/20/34/67/191203467.db2.gz ZKVIXOJMMHTKHN-HZPDHXFCSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000271544082 191203470 /nfs/dbraw/zinc/20/34/70/191203470.db2.gz ZKVIXOJMMHTKHN-HZPDHXFCSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000271643984 191257394 /nfs/dbraw/zinc/25/73/94/191257394.db2.gz FDBONFWZUGGTOF-INIZCTEOSA-N 2 1 273.355 3.072 20 0 CGADMP c1coc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000367958986 234263020 /nfs/dbraw/zinc/26/30/20/234263020.db2.gz FLLAWXUIRNBZKH-ROUUACIJSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000367958986 234263024 /nfs/dbraw/zinc/26/30/24/234263024.db2.gz FLLAWXUIRNBZKH-ROUUACIJSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000367958986 234263028 /nfs/dbraw/zinc/26/30/28/234263028.db2.gz FLLAWXUIRNBZKH-ROUUACIJSA-N 2 1 296.414 3.234 20 0 CGADMP c1coc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000367958986 234263032 /nfs/dbraw/zinc/26/30/32/234263032.db2.gz FLLAWXUIRNBZKH-ROUUACIJSA-N 2 1 296.414 3.234 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000155385039 188202821 /nfs/dbraw/zinc/20/28/21/188202821.db2.gz OLNDGSXYHCJLRU-CZUORRHYSA-N 2 1 292.854 3.444 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)cc1 ZINC000156417490 188261114 /nfs/dbraw/zinc/26/11/14/188261114.db2.gz JPSSPIWJYXWXFX-KBXCAEBGSA-N 2 1 299.418 3.400 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000158464967 188377543 /nfs/dbraw/zinc/37/75/43/188377543.db2.gz YWZQBNUIDBCTHS-LPHOPBHVSA-N 2 1 297.446 3.025 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000354614856 283008782 /nfs/dbraw/zinc/00/87/82/283008782.db2.gz BJRGGRMYWWUYMN-OAHLLOKOSA-N 2 1 299.393 3.439 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000271743916 191301717 /nfs/dbraw/zinc/30/17/17/191301717.db2.gz CXYGKOYYIWOXLS-UHFFFAOYSA-N 2 1 257.381 3.025 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000271890304 191393539 /nfs/dbraw/zinc/39/35/39/191393539.db2.gz VSCXNABHMALWET-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000414201173 235362353 /nfs/dbraw/zinc/36/23/53/235362353.db2.gz YFQKULXRBOROJM-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CCCC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594861 138343095 /nfs/dbraw/zinc/34/30/95/138343095.db2.gz GVUTUDRMOMPBEN-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP Cc1ccc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868506 138356009 /nfs/dbraw/zinc/35/60/09/138356009.db2.gz QHXFMWUVDHBFMK-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000106868430 138356095 /nfs/dbraw/zinc/35/60/95/138356095.db2.gz XOFNCYLHVWMAPA-GHMZBOCLSA-N 2 1 270.829 3.118 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000106868430 138356096 /nfs/dbraw/zinc/35/60/96/138356096.db2.gz XOFNCYLHVWMAPA-GHMZBOCLSA-N 2 1 270.829 3.118 20 0 CGADMP CC[C@]1(C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000124706700 138376666 /nfs/dbraw/zinc/37/66/66/138376666.db2.gz WONFXHGOIBYBHS-MRXNPFEDSA-N 2 1 263.429 3.484 20 0 CGADMP CC[C@]1(C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000124706700 138376667 /nfs/dbraw/zinc/37/66/67/138376667.db2.gz WONFXHGOIBYBHS-MRXNPFEDSA-N 2 1 263.429 3.484 20 0 CGADMP CC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124627737 138377077 /nfs/dbraw/zinc/37/70/77/138377077.db2.gz KOHMUDDXPNVFOI-OAGGEKHMSA-N 2 1 290.451 3.184 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000124750851 138377500 /nfs/dbraw/zinc/37/75/00/138377500.db2.gz HMDGAJBZBPYTOS-IAGOWNOFSA-N 2 1 260.425 3.458 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)CC[N@@H+]1C ZINC000181325110 297286859 /nfs/dbraw/zinc/28/68/59/297286859.db2.gz NLPPTFRIRYKGAN-DVOMOZLQSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)CC[N@H+]1C ZINC000181325110 297286861 /nfs/dbraw/zinc/28/68/61/297286861.db2.gz NLPPTFRIRYKGAN-DVOMOZLQSA-N 2 1 292.398 3.112 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC000126896455 138387120 /nfs/dbraw/zinc/38/71/20/138387120.db2.gz AHJFGKBDXHIQDY-GFCCVEGCSA-N 2 1 261.344 3.191 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423263601 236013570 /nfs/dbraw/zinc/01/35/70/236013570.db2.gz BDNCYZHGZSUGAM-RISCZKNCSA-N 2 1 252.427 3.042 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423314680 236035658 /nfs/dbraw/zinc/03/56/58/236035658.db2.gz HNJCWINMMQCMGE-CABCVRRESA-N 2 1 264.800 3.044 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423341526 236044361 /nfs/dbraw/zinc/04/43/61/236044361.db2.gz YBROMZTWIUXLEA-ZJUUUORDSA-N 2 1 292.370 3.339 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726906 535364371 /nfs/dbraw/zinc/36/43/71/535364371.db2.gz GSHGYYSUDJXUAI-CVEARBPZSA-N 2 1 252.446 3.443 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000470010109 283280302 /nfs/dbraw/zinc/28/03/02/283280302.db2.gz XCCPVRQOUPRBHL-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000482163650 535365443 /nfs/dbraw/zinc/36/54/43/535365443.db2.gz LWCBBOGIAUZVMC-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000482163650 535365445 /nfs/dbraw/zinc/36/54/45/535365445.db2.gz LWCBBOGIAUZVMC-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP CCOc1ccc([C@H](CC)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OCC ZINC000423453750 236074587 /nfs/dbraw/zinc/07/45/87/236074587.db2.gz YAPAVTLYKWEKDC-YDHLFZDLSA-N 2 1 294.439 3.260 20 0 CGADMP Fc1cccc2c1SCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532177 236093860 /nfs/dbraw/zinc/09/38/60/236093860.db2.gz UZLARSVBGCMYLZ-CQSZACIVSA-N 2 1 280.412 3.094 20 0 CGADMP FC(F)[C@H](CCc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535841 236094548 /nfs/dbraw/zinc/09/45/48/236094548.db2.gz FOXZBYMDSSWWGU-INIZCTEOSA-N 2 1 294.389 3.152 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1F ZINC000425938690 236274420 /nfs/dbraw/zinc/27/44/20/236274420.db2.gz RBLPCWPGHUBYSJ-NEPJUHHUSA-N 2 1 284.444 3.396 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294720807 199151193 /nfs/dbraw/zinc/15/11/93/199151193.db2.gz COMLAZXTFDQEJK-DXJOGWAWSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303692 237077078 /nfs/dbraw/zinc/07/70/78/237077078.db2.gz CGUISWXYUXEEEM-VMUDFCTBSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303692 237077086 /nfs/dbraw/zinc/07/70/86/237077086.db2.gz CGUISWXYUXEEEM-VMUDFCTBSA-N 2 1 276.399 3.002 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCc1cncn1C ZINC000297638075 200248173 /nfs/dbraw/zinc/24/81/73/200248173.db2.gz IEJOHRUXVBUWFH-QGZVFWFLSA-N 2 1 271.408 3.436 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000177226372 189038272 /nfs/dbraw/zinc/03/82/72/189038272.db2.gz FTQLAEJWNKVFFZ-OAHLLOKOSA-N 2 1 272.436 3.348 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000177886574 189076641 /nfs/dbraw/zinc/07/66/41/189076641.db2.gz PUKVMEMCOUFHHN-IOASZLSFSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178635696 189133186 /nfs/dbraw/zinc/13/31/86/189133186.db2.gz OVDKXOBGTUBTIE-FRFSOERESA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178635696 189133187 /nfs/dbraw/zinc/13/31/87/189133187.db2.gz OVDKXOBGTUBTIE-FRFSOERESA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178635696 189133188 /nfs/dbraw/zinc/13/31/88/189133188.db2.gz OVDKXOBGTUBTIE-FRFSOERESA-N 2 1 276.399 3.303 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C)c1 ZINC000178530765 189124411 /nfs/dbraw/zinc/12/44/11/189124411.db2.gz DIERIJDEPHHVHN-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C)c1 ZINC000178530765 189124412 /nfs/dbraw/zinc/12/44/12/189124412.db2.gz DIERIJDEPHHVHN-UHFFFAOYSA-N 2 1 257.381 3.022 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3c(F)cccc3Cl)C[C@H]21 ZINC000342081549 216212639 /nfs/dbraw/zinc/21/26/39/216212639.db2.gz HCXFERWIGMJXJI-AXAPSJFSSA-N 2 1 296.817 3.081 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178785758 189145742 /nfs/dbraw/zinc/14/57/42/189145742.db2.gz GECBPMBEUOJPGS-CQSZACIVSA-N 2 1 299.418 3.257 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974226 189159135 /nfs/dbraw/zinc/15/91/35/189159135.db2.gz HUMBZCLCLSUWFA-GUYCJALGSA-N 2 1 276.399 3.208 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CCC1 ZINC000342126058 216227200 /nfs/dbraw/zinc/22/72/00/216227200.db2.gz LNLCZJDMEXXGMH-UHFFFAOYSA-N 2 1 296.414 3.237 20 0 CGADMP COc1ccc2oc(C[NH2+]CCC[NH+]3CCCC3)cc2c1 ZINC000179285109 189183469 /nfs/dbraw/zinc/18/34/69/189183469.db2.gz APORPPPUYFITKQ-UHFFFAOYSA-N 2 1 288.391 3.017 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342147718 216238072 /nfs/dbraw/zinc/23/80/72/216238072.db2.gz UXDSNXLHIIRIRK-XJFOESAGSA-N 2 1 291.439 3.092 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342147718 216238075 /nfs/dbraw/zinc/23/80/75/216238075.db2.gz UXDSNXLHIIRIRK-XJFOESAGSA-N 2 1 291.439 3.092 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC[N@@H+]1C ZINC000179505939 189198462 /nfs/dbraw/zinc/19/84/62/189198462.db2.gz GJZNPAYWZIRZRA-MMNPAVHPSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC[N@H+]1C ZINC000179505939 189198463 /nfs/dbraw/zinc/19/84/63/189198463.db2.gz GJZNPAYWZIRZRA-MMNPAVHPSA-N 2 1 272.436 3.382 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC3(C)C)sc2C1 ZINC000342228697 216269609 /nfs/dbraw/zinc/26/96/09/216269609.db2.gz ZDSXRJJHGFKUJB-AWEZNQCLSA-N 2 1 293.480 3.188 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC3(C)C)sc2C1 ZINC000342228697 216269612 /nfs/dbraw/zinc/26/96/12/216269612.db2.gz ZDSXRJJHGFKUJB-AWEZNQCLSA-N 2 1 293.480 3.188 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000181186200 189290138 /nfs/dbraw/zinc/29/01/38/189290138.db2.gz UKOUMAFWQHWVRO-CYBMUJFWSA-N 2 1 298.390 3.416 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000181186200 189290139 /nfs/dbraw/zinc/29/01/39/189290139.db2.gz UKOUMAFWQHWVRO-CYBMUJFWSA-N 2 1 298.390 3.416 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCC1 ZINC000183193194 299343724 /nfs/dbraw/zinc/34/37/24/299343724.db2.gz DRXFTILOEKGRHW-OFQRWUPVSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH2+]CC3)oc2cc1C ZINC000335568789 212278910 /nfs/dbraw/zinc/27/89/10/212278910.db2.gz SHHJIICGTUSSQC-ZDUSSCGKSA-N 2 1 272.392 3.452 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(C)C ZINC000121009760 370822093 /nfs/dbraw/zinc/82/20/93/370822093.db2.gz PXRUGUOVEHZJQS-BBWFWOEESA-N 2 1 294.483 3.043 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000121242832 370844047 /nfs/dbraw/zinc/84/40/47/370844047.db2.gz SFRPXQJHXNGRJT-NUJGCVRESA-N 2 1 299.462 3.350 20 0 CGADMP Clc1cccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000459348068 242083651 /nfs/dbraw/zinc/08/36/51/242083651.db2.gz QVCZADDJYBWYAK-MRXNPFEDSA-N 2 1 292.854 3.300 20 0 CGADMP Clc1cccc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000459348068 242083657 /nfs/dbraw/zinc/08/36/57/242083657.db2.gz QVCZADDJYBWYAK-MRXNPFEDSA-N 2 1 292.854 3.300 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459429590 242104029 /nfs/dbraw/zinc/10/40/29/242104029.db2.gz PNTIZRBARMREQE-UHFFFAOYSA-N 2 1 296.499 3.290 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000459553514 242128479 /nfs/dbraw/zinc/12/84/79/242128479.db2.gz YKDOKHCARRRFOR-AWEZNQCLSA-N 2 1 289.810 3.106 20 0 CGADMP CC(C)c1nc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000459409542 242099376 /nfs/dbraw/zinc/09/93/76/242099376.db2.gz YRTISNRSOHDXPV-UHFFFAOYSA-N 2 1 293.480 3.025 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000459726104 242193673 /nfs/dbraw/zinc/19/36/73/242193673.db2.gz GFFPPJYSDCFVRI-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459727067 242194360 /nfs/dbraw/zinc/19/43/60/242194360.db2.gz CDJIVPOQOXXRJQ-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000462821023 242366668 /nfs/dbraw/zinc/36/66/68/242366668.db2.gz ZNJGUMCYEVSMKE-GUDVDZBRSA-N 2 1 284.447 3.335 20 0 CGADMP Cc1cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000478282787 243073223 /nfs/dbraw/zinc/07/32/23/243073223.db2.gz QPDGSCPIKHQYGD-QAPCUYQASA-N 2 1 281.403 3.059 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000480658636 243159747 /nfs/dbraw/zinc/15/97/47/243159747.db2.gz BFVZMLZYIMPKQR-ZFWWWQNUSA-N 2 1 296.405 3.360 20 0 CGADMP c1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000479936859 243130417 /nfs/dbraw/zinc/13/04/17/243130417.db2.gz ASLQNWSVVQKTSC-KDURUIRLSA-N 2 1 278.399 3.005 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000483317046 243275096 /nfs/dbraw/zinc/27/50/96/243275096.db2.gz WUSVTWYDKUGKKG-OFQRWUPVSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000483317046 243275098 /nfs/dbraw/zinc/27/50/98/243275098.db2.gz WUSVTWYDKUGKKG-OFQRWUPVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000019958486 368789311 /nfs/dbraw/zinc/78/93/11/368789311.db2.gz JKLRDNYRVKUIMG-NSHDSACASA-N 2 1 274.330 3.308 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000019959387 368790307 /nfs/dbraw/zinc/79/03/07/368790307.db2.gz OZBTZSVYJWBBJM-NSHDSACASA-N 2 1 290.329 3.188 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000020091813 368800526 /nfs/dbraw/zinc/80/05/26/368800526.db2.gz RGNYKQGYIXNOHX-HNNXBMFYSA-N 2 1 278.440 3.324 20 0 CGADMP COc1ccc(C)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000035162126 369000234 /nfs/dbraw/zinc/00/02/34/369000234.db2.gz NGVIDFROSVKOLE-MRXNPFEDSA-N 2 1 290.451 3.358 20 0 CGADMP COc1ccc(C)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000035162126 369000243 /nfs/dbraw/zinc/00/02/43/369000243.db2.gz NGVIDFROSVKOLE-MRXNPFEDSA-N 2 1 290.451 3.358 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000036908059 369037135 /nfs/dbraw/zinc/03/71/35/369037135.db2.gz PDYJGBLRGLWQFP-LBTNJELSSA-N 2 1 285.435 3.029 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000036908351 369037170 /nfs/dbraw/zinc/03/71/70/369037170.db2.gz XRCYVSZJJYKQKG-BFYDXBDKSA-N 2 1 282.472 3.044 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000035052971 368992975 /nfs/dbraw/zinc/99/29/75/368992975.db2.gz UEAPKNUYPKNAJH-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000037140986 369067746 /nfs/dbraw/zinc/06/77/46/369067746.db2.gz FAHZUPPCIWBFFZ-GFCCVEGCSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140975 369068054 /nfs/dbraw/zinc/06/80/54/369068054.db2.gz INFCHFGMQJWTPR-OAHLLOKOSA-N 2 1 272.436 3.224 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)o1 ZINC000037648962 369095106 /nfs/dbraw/zinc/09/51/06/369095106.db2.gz PIELYJYXQPGWCS-JSGCOSHPSA-N 2 1 262.397 3.031 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649510 369097953 /nfs/dbraw/zinc/09/79/53/369097953.db2.gz AHOJUSPEAVFHJY-GDBMZVCRSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccsc2)CC[N@@H+]1C ZINC000360966293 261139171 /nfs/dbraw/zinc/13/91/71/261139171.db2.gz OGDKUSLKVLNXDF-UKRRQHHQSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccsc2)CC[N@H+]1C ZINC000360966293 261139172 /nfs/dbraw/zinc/13/91/72/261139172.db2.gz OGDKUSLKVLNXDF-UKRRQHHQSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2ccsc2)CC[NH+]1C ZINC000360966293 261139175 /nfs/dbraw/zinc/13/91/75/261139175.db2.gz OGDKUSLKVLNXDF-UKRRQHHQSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccsc2)CC[NH+]1C ZINC000360966293 261139178 /nfs/dbraw/zinc/13/91/78/261139178.db2.gz OGDKUSLKVLNXDF-UKRRQHHQSA-N 2 1 266.454 3.095 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000494504708 244294452 /nfs/dbraw/zinc/29/44/52/244294452.db2.gz ARYVUFWHLMSRLG-WBVHZDCISA-N 2 1 290.451 3.002 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1F ZINC000049943411 369423950 /nfs/dbraw/zinc/42/39/50/369423950.db2.gz YLQWJVVOWRDKRD-UHFFFAOYSA-N 2 1 264.388 3.097 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000053155371 369479644 /nfs/dbraw/zinc/47/96/44/369479644.db2.gz NJBZDBIFFYOEQK-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP C[NH2+]C[C@@H]1CCCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000053703680 369488359 /nfs/dbraw/zinc/48/83/59/369488359.db2.gz ULZKETDFIUJTCT-LBPRGKRZSA-N 2 1 275.783 3.076 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000062077727 369617335 /nfs/dbraw/zinc/61/73/35/369617335.db2.gz YTCAMJVBQNTABQ-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070170584 369786723 /nfs/dbraw/zinc/78/67/23/369786723.db2.gz NDRKYGFESSLRRJ-KRWDZBQOSA-N 2 1 290.451 3.133 20 0 CGADMP Cc1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000070174129 369788151 /nfs/dbraw/zinc/78/81/51/369788151.db2.gz CZOSFHLQAFEZMZ-SJORKVTESA-N 2 1 290.451 3.132 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858011 369841815 /nfs/dbraw/zinc/84/18/15/369841815.db2.gz OWJCOAGIOGKMOV-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858011 369841819 /nfs/dbraw/zinc/84/18/19/369841819.db2.gz OWJCOAGIOGKMOV-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858011 369841823 /nfs/dbraw/zinc/84/18/23/369841823.db2.gz OWJCOAGIOGKMOV-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164031 370031199 /nfs/dbraw/zinc/03/11/99/370031199.db2.gz SOZMVTFZBOTXFA-HNSVSWJLSA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164031 370031208 /nfs/dbraw/zinc/03/12/08/370031208.db2.gz SOZMVTFZBOTXFA-HNSVSWJLSA-N 2 1 252.446 3.416 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(C)c1O ZINC000088164046 370031498 /nfs/dbraw/zinc/03/14/98/370031498.db2.gz YGBODAWCNMTHHQ-ALOPSCKCSA-N 2 1 288.435 3.114 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC000093770362 370157368 /nfs/dbraw/zinc/15/73/68/370157368.db2.gz MLJKJRRTZHBGOI-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000093770362 370157372 /nfs/dbraw/zinc/15/73/72/370157372.db2.gz MLJKJRRTZHBGOI-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000093770362 370157377 /nfs/dbraw/zinc/15/73/77/370157377.db2.gz MLJKJRRTZHBGOI-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336514452 213391541 /nfs/dbraw/zinc/39/15/41/213391541.db2.gz FTMYBXCHXARYPP-ZIAGYGMSSA-N 2 1 264.388 3.303 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000512325260 245032870 /nfs/dbraw/zinc/03/28/70/245032870.db2.gz VFXXQUBBALMKFW-LXZKKBNFSA-N 2 1 264.457 3.418 20 0 CGADMP COC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000130030452 371010476 /nfs/dbraw/zinc/01/04/76/371010476.db2.gz OFUMKIZELQKQRE-ZGRYLRDCSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102496 371011849 /nfs/dbraw/zinc/01/18/49/371011849.db2.gz JAZXUNNVPGEBRD-DYEKYZERSA-N 2 1 298.377 3.421 20 0 CGADMP C[C@@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161776 371015421 /nfs/dbraw/zinc/01/54/21/371015421.db2.gz AFRSEUPLKNTLIB-KWCYVHTRSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000132061035 371148636 /nfs/dbraw/zinc/14/86/36/371148636.db2.gz ZCHXSBBZZBSQGB-RYUDHWBXSA-N 2 1 297.240 3.099 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000133837017 371283540 /nfs/dbraw/zinc/28/35/40/371283540.db2.gz KJARTLXNYVCHAQ-BBRMVZONSA-N 2 1 278.415 3.033 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294739 371410713 /nfs/dbraw/zinc/41/07/13/371410713.db2.gz DIUWKMXRHREPPP-PCKAHOCUSA-N 2 1 266.473 3.380 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134869417 371370371 /nfs/dbraw/zinc/37/03/71/371370371.db2.gz RMWLQXOSUXRAGM-UYAOXDASSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134869417 371370375 /nfs/dbraw/zinc/37/03/75/371370375.db2.gz RMWLQXOSUXRAGM-UYAOXDASSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134869417 371370378 /nfs/dbraw/zinc/37/03/78/371370378.db2.gz RMWLQXOSUXRAGM-UYAOXDASSA-N 2 1 298.474 3.486 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134869417 371370381 /nfs/dbraw/zinc/37/03/81/371370381.db2.gz RMWLQXOSUXRAGM-UYAOXDASSA-N 2 1 298.474 3.486 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136324615 371473300 /nfs/dbraw/zinc/47/33/00/371473300.db2.gz GUTVJCYDXACCLH-GJZGRUSLSA-N 2 1 278.440 3.033 20 0 CGADMP CC[N@@H+]1CCC[C@@H]1CNCc1ccc(C(F)F)cc1 ZINC000150062544 371531119 /nfs/dbraw/zinc/53/11/19/371531119.db2.gz FWQDLWQLMAPWMQ-CQSZACIVSA-N 2 1 268.351 3.198 20 0 CGADMP c1ccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150769920 371537610 /nfs/dbraw/zinc/53/76/10/371537610.db2.gz LYYKHEQGERJDCV-INIZCTEOSA-N 2 1 290.476 3.196 20 0 CGADMP c1ccc(SCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150769920 371537620 /nfs/dbraw/zinc/53/76/20/371537620.db2.gz LYYKHEQGERJDCV-INIZCTEOSA-N 2 1 290.476 3.196 20 0 CGADMP Fc1ccccc1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000137607377 371499403 /nfs/dbraw/zinc/49/94/03/371499403.db2.gz DVXQJVOVJRURIE-QGZVFWFLSA-N 2 1 290.426 3.319 20 0 CGADMP Fc1ccccc1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000137607377 371499409 /nfs/dbraw/zinc/49/94/09/371499409.db2.gz DVXQJVOVJRURIE-QGZVFWFLSA-N 2 1 290.426 3.319 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C(C2CC2)C2CC2)C1 ZINC000151083731 371565349 /nfs/dbraw/zinc/56/53/49/371565349.db2.gz JPFGGBPLBWKNFY-CYBMUJFWSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C(C2CC2)C2CC2)C1 ZINC000151083731 371565359 /nfs/dbraw/zinc/56/53/59/371565359.db2.gz JPFGGBPLBWKNFY-CYBMUJFWSA-N 2 1 264.457 3.275 20 0 CGADMP COC1([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)CCCCC1 ZINC000421819185 371642389 /nfs/dbraw/zinc/64/23/89/371642389.db2.gz FQCHGWIZUZAPHM-HNNXBMFYSA-N 2 1 270.461 3.044 20 0 CGADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000421820196 371642979 /nfs/dbraw/zinc/64/29/79/371642979.db2.gz LFLUGRNIPYMNIL-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000421830682 371654592 /nfs/dbraw/zinc/65/45/92/371654592.db2.gz CLYQGUYXGGROFG-GFCCVEGCSA-N 2 1 296.817 3.262 20 0 CGADMP COc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C2CC2)c(F)c1 ZINC000421861282 371684928 /nfs/dbraw/zinc/68/49/28/371684928.db2.gz VAJQVCCRAZITQB-PXAZEXFGSA-N 2 1 294.414 3.073 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345434 214020890 /nfs/dbraw/zinc/02/08/90/214020890.db2.gz VBCQLKOYGRTHQV-BQFCYCMXSA-N 2 1 289.467 3.428 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345434 214020892 /nfs/dbraw/zinc/02/08/92/214020892.db2.gz VBCQLKOYGRTHQV-BQFCYCMXSA-N 2 1 289.467 3.428 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422559446 371749536 /nfs/dbraw/zinc/74/95/36/371749536.db2.gz CZEQLFPYEKFJOG-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000422564335 371752916 /nfs/dbraw/zinc/75/29/16/371752916.db2.gz VRCWFJGTDYEUOG-IXDOHACOSA-N 2 1 290.451 3.151 20 0 CGADMP Clc1ccc(SCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422641141 371755305 /nfs/dbraw/zinc/75/53/05/371755305.db2.gz XCNGXARMAHLGBZ-UHFFFAOYSA-N 2 1 296.867 3.260 20 0 CGADMP Cc1sc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)nc1C(C)C ZINC000422702653 371758633 /nfs/dbraw/zinc/75/86/33/371758633.db2.gz FPFIAWLCFYIOPC-AAEUAGOBSA-N 2 1 281.469 3.053 20 0 CGADMP C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000422716487 371765607 /nfs/dbraw/zinc/76/56/07/371765607.db2.gz NHHKWFZVEXVZMG-IAOVAPTHSA-N 2 1 258.409 3.258 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000422727399 371770127 /nfs/dbraw/zinc/77/01/27/371770127.db2.gz CHJYJUSEXOLAKT-LLVKDONJSA-N 2 1 275.783 3.041 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1Cl ZINC000422742436 371779863 /nfs/dbraw/zinc/77/98/63/371779863.db2.gz GNHPXKVESQEBPV-NHYWBVRUSA-N 2 1 266.816 3.235 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1C(F)(F)F ZINC000337321244 214005016 /nfs/dbraw/zinc/00/50/16/214005016.db2.gz BXOXANZGGHXDJF-UHFFFAOYSA-N 2 1 288.357 3.479 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C(F)(F)F ZINC000337321244 214005017 /nfs/dbraw/zinc/00/50/17/214005017.db2.gz BXOXANZGGHXDJF-UHFFFAOYSA-N 2 1 288.357 3.479 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000422755066 371787436 /nfs/dbraw/zinc/78/74/36/371787436.db2.gz FJEUSEPSRJMBMT-WFASDCNBSA-N 2 1 268.351 3.148 20 0 CGADMP C[C@H]([NH2+]CCc1cccc(Cl)c1)c1c[nH+]ccc1N ZINC000422767820 371794756 /nfs/dbraw/zinc/79/47/56/371794756.db2.gz RQLIBNVPHSKXTP-NSHDSACASA-N 2 1 275.783 3.041 20 0 CGADMP C[C@@H](OCCC[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422786039 371805810 /nfs/dbraw/zinc/80/58/10/371805810.db2.gz OANRGXNGMAIPRG-LSDHHAIUSA-N 2 1 299.418 3.313 20 0 CGADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000422794022 371813329 /nfs/dbraw/zinc/81/33/29/371813329.db2.gz GDFAYDMPOFPRIN-RDTXWAMCSA-N 2 1 286.394 3.182 20 0 CGADMP COCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422801427 371818870 /nfs/dbraw/zinc/81/88/70/371818870.db2.gz BXEWPQQZPJYLSB-ROUUACIJSA-N 2 1 282.387 3.067 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000422804246 371820642 /nfs/dbraw/zinc/82/06/42/371820642.db2.gz DZCPCLSYNUGNLK-XKQJLSEDSA-N 2 1 258.409 3.176 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000422861619 371842895 /nfs/dbraw/zinc/84/28/95/371842895.db2.gz ORDVEYBLJPTHAP-HBNTYKKESA-N 2 1 269.458 3.217 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422875184 371848943 /nfs/dbraw/zinc/84/89/43/371848943.db2.gz CDXQPSWEBLDXSR-UONOGXRCSA-N 2 1 270.779 3.229 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422880198 371852164 /nfs/dbraw/zinc/85/21/64/371852164.db2.gz WNTYPNNWWHPGKE-CVEARBPZSA-N 2 1 276.424 3.143 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422890206 371856076 /nfs/dbraw/zinc/85/60/76/371856076.db2.gz HWVMTSATQKEXLK-RBUKOAKNSA-N 2 1 296.414 3.235 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000289963915 371863084 /nfs/dbraw/zinc/86/30/84/371863084.db2.gz IUEFKUXRGIFUEX-MRXNPFEDSA-N 2 1 290.451 3.173 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000289963915 371863092 /nfs/dbraw/zinc/86/30/92/371863092.db2.gz IUEFKUXRGIFUEX-MRXNPFEDSA-N 2 1 290.451 3.173 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1C ZINC000422923762 371873322 /nfs/dbraw/zinc/87/33/22/371873322.db2.gz XABLCTZUGHKRHQ-LSDHHAIUSA-N 2 1 299.418 3.311 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932730 371877436 /nfs/dbraw/zinc/87/74/36/371877436.db2.gz GNWPGLCHIQTLIH-ROUUACIJSA-N 2 1 296.414 3.202 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)c1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422850677 371840459 /nfs/dbraw/zinc/84/04/59/371840459.db2.gz NZCDEGFUAITXIU-HOTGVXAUSA-N 2 1 278.415 3.224 20 0 CGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C(C)C ZINC000154870763 371887194 /nfs/dbraw/zinc/88/71/94/371887194.db2.gz ZPYCUDGHRXBYTI-GOSISDBHSA-N 2 1 292.467 3.287 20 0 CGADMP C[C@H]([NH2+][C@H](COc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422952134 371889243 /nfs/dbraw/zinc/88/92/43/371889243.db2.gz BVRBXLIFRIOATD-HNAYVOBHSA-N 2 1 296.414 3.004 20 0 CGADMP COC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290142554 371915205 /nfs/dbraw/zinc/91/52/05/371915205.db2.gz CFFFHQMSDRESLF-RCBQFDQVSA-N 2 1 296.842 3.100 20 0 CGADMP COC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290142554 371915208 /nfs/dbraw/zinc/91/52/08/371915208.db2.gz CFFFHQMSDRESLF-RCBQFDQVSA-N 2 1 296.842 3.100 20 0 CGADMP COc1cc(F)cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423016154 371917106 /nfs/dbraw/zinc/91/71/06/371917106.db2.gz MAZOHRRIPZWLEV-XJKSGUPXSA-N 2 1 294.414 3.235 20 0 CGADMP CC[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CCC[NH2+]1 ZINC000423020898 371918708 /nfs/dbraw/zinc/91/87/08/371918708.db2.gz DCBPAYJHRZPJQV-KGLIPLIRSA-N 2 1 295.496 3.103 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2cc(C3CC3)ccn2)[C@H](C)C1 ZINC000290184615 371926448 /nfs/dbraw/zinc/92/64/48/371926448.db2.gz NUZUVVDFBZTEGI-IUODEOHRSA-N 2 1 259.397 3.101 20 0 CGADMP CC[N@@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)[C@H](C)C1 ZINC000290184615 371926450 /nfs/dbraw/zinc/92/64/50/371926450.db2.gz NUZUVVDFBZTEGI-IUODEOHRSA-N 2 1 259.397 3.101 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)[C@H](C)C1 ZINC000290184615 371926456 /nfs/dbraw/zinc/92/64/56/371926456.db2.gz NUZUVVDFBZTEGI-IUODEOHRSA-N 2 1 259.397 3.101 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCCSC3)CC[NH2+]2)cc1 ZINC000423134663 371984586 /nfs/dbraw/zinc/98/45/86/371984586.db2.gz XIKQFYPCBPBZDB-PVAVHDDUSA-N 2 1 290.476 3.213 20 0 CGADMP Clc1cccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c1 ZINC000423168875 371999301 /nfs/dbraw/zinc/99/93/01/371999301.db2.gz VDLLKWIJWFWHNV-FVQBIDKESA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H](CC[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000290575856 372020916 /nfs/dbraw/zinc/02/09/16/372020916.db2.gz UCDMBHWQFWQKBR-SOLBZPMBSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000290575856 372020925 /nfs/dbraw/zinc/02/09/25/372020925.db2.gz UCDMBHWQFWQKBR-SOLBZPMBSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000290575856 372020933 /nfs/dbraw/zinc/02/09/33/372020933.db2.gz UCDMBHWQFWQKBR-SOLBZPMBSA-N 2 1 274.452 3.452 20 0 CGADMP C[C@H](CC[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000290575856 372020940 /nfs/dbraw/zinc/02/09/40/372020940.db2.gz UCDMBHWQFWQKBR-SOLBZPMBSA-N 2 1 274.452 3.452 20 0 CGADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cnn1C(C)C ZINC000423199395 372022862 /nfs/dbraw/zinc/02/28/62/372022862.db2.gz JZRSYRBDTXQXKM-AWEZNQCLSA-N 2 1 292.471 3.475 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCc2ccccc2Cl)CC1 ZINC000157508585 372026006 /nfs/dbraw/zinc/02/60/06/372026006.db2.gz RTNDEBGJQZGDSF-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCc2ccccc2Cl)CC1 ZINC000157508585 372026009 /nfs/dbraw/zinc/02/60/09/372026009.db2.gz RTNDEBGJQZGDSF-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423202870 372026746 /nfs/dbraw/zinc/02/67/46/372026746.db2.gz RNVDMVHLIKPFGD-VIFPVBQESA-N 2 1 292.757 3.202 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccccc21)C1CCCCC1 ZINC000423269597 372046571 /nfs/dbraw/zinc/04/65/71/372046571.db2.gz VXBHQOFVZYCTRV-DLBZAZTESA-N 2 1 258.409 3.171 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000158563434 372072719 /nfs/dbraw/zinc/07/27/19/372072719.db2.gz VDQUUOMKQQSPAK-JFIYKMOQSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000158563434 372072723 /nfs/dbraw/zinc/07/27/23/372072723.db2.gz VDQUUOMKQQSPAK-JFIYKMOQSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424302419 372081608 /nfs/dbraw/zinc/08/16/08/372081608.db2.gz ZKEDWTYPTLKZAN-INIZCTEOSA-N 2 1 272.436 3.267 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424368723 372085599 /nfs/dbraw/zinc/08/55/99/372085599.db2.gz AGUKUNQHCDZHPS-APHBMKBZSA-N 2 1 262.397 3.006 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000291353063 372166016 /nfs/dbraw/zinc/16/60/16/372166016.db2.gz XMNCUCUKZJLNOE-RLFYNMQTSA-N 2 1 272.436 3.190 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCc3cccc(F)c3)C2)C1 ZINC000293067048 372290971 /nfs/dbraw/zinc/29/09/71/372290971.db2.gz VCLFSHHCXCDCFN-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCc3cccc(F)c3)C2)C1 ZINC000293067048 372290976 /nfs/dbraw/zinc/29/09/76/372290976.db2.gz VCLFSHHCXCDCFN-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCc3cccc(F)c3)C2)C1 ZINC000293067048 372290981 /nfs/dbraw/zinc/29/09/81/372290981.db2.gz VCLFSHHCXCDCFN-GOSISDBHSA-N 2 1 290.426 3.176 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@H]1CCCCO1 ZINC000429245441 372328183 /nfs/dbraw/zinc/32/81/83/372328183.db2.gz CIBHTTUCTBIZJV-MRXNPFEDSA-N 2 1 293.455 3.117 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@H]1CCCCO1 ZINC000429245441 372328188 /nfs/dbraw/zinc/32/81/88/372328188.db2.gz CIBHTTUCTBIZJV-MRXNPFEDSA-N 2 1 293.455 3.117 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC000161727900 372349520 /nfs/dbraw/zinc/34/95/20/372349520.db2.gz NQGQLRKEZLNAJT-CJNGLKHVSA-N 2 1 280.843 3.468 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009646 372303419 /nfs/dbraw/zinc/30/34/19/372303419.db2.gz OPIGJYAQYBXONO-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009646 372303426 /nfs/dbraw/zinc/30/34/26/372303426.db2.gz OPIGJYAQYBXONO-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009646 372303431 /nfs/dbraw/zinc/30/34/31/372303431.db2.gz OPIGJYAQYBXONO-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009646 372303436 /nfs/dbraw/zinc/30/34/36/372303436.db2.gz OPIGJYAQYBXONO-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000429554379 372373143 /nfs/dbraw/zinc/37/31/43/372373143.db2.gz JEVLBPZRVNJUDV-QFBILLFUSA-N 2 1 286.463 3.208 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000429514853 372373912 /nfs/dbraw/zinc/37/39/12/372373912.db2.gz MPTVPEOABHJRKQ-JYJNAYRXSA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000429514853 372373915 /nfs/dbraw/zinc/37/39/15/372373915.db2.gz MPTVPEOABHJRKQ-JYJNAYRXSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000430143631 372386793 /nfs/dbraw/zinc/38/67/93/372386793.db2.gz CJRGLOGKFOHWQB-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)(C)c1ccc(OCCC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430920973 372405576 /nfs/dbraw/zinc/40/55/76/372405576.db2.gz WTRJZPULRQSJEI-HNNXBMFYSA-N 2 1 290.451 3.034 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430924061 372406682 /nfs/dbraw/zinc/40/66/82/372406682.db2.gz HUBXOBUUXOUBKD-MRXNPFEDSA-N 2 1 282.431 3.314 20 0 CGADMP CC(C)CCc1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1 ZINC000430946324 372408061 /nfs/dbraw/zinc/40/80/61/372408061.db2.gz VTTJNIRWJQTBFZ-ZDUSSCGKSA-N 2 1 295.496 3.291 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430958537 372409907 /nfs/dbraw/zinc/40/99/07/372409907.db2.gz YFTONIIGPXKYDL-KXBFYZLASA-N 2 1 282.431 3.442 20 0 CGADMP C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000430972507 372412150 /nfs/dbraw/zinc/41/21/50/372412150.db2.gz QCZJAKLAGJTUGU-KSSFIOAISA-N 2 1 268.404 3.051 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224690 372455203 /nfs/dbraw/zinc/45/52/03/372455203.db2.gz GUTMZMCBGMCUIY-MAUKXSAKSA-N 2 1 290.451 3.468 20 0 CGADMP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000293701911 372455779 /nfs/dbraw/zinc/45/57/79/372455779.db2.gz MELSRVWYNWOXJB-SCLBCKFNSA-N 2 1 299.418 3.256 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1F ZINC000163828465 372494973 /nfs/dbraw/zinc/49/49/73/372494973.db2.gz IXGIAUNZXBYXFE-SWLSCSKDSA-N 2 1 252.377 3.207 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000164664639 372527710 /nfs/dbraw/zinc/52/77/10/372527710.db2.gz WCLMFBWMXDBZCN-KRWDZBQOSA-N 2 1 299.418 3.475 20 0 CGADMP CC(C)[NH+]1CCC(NCc2cccc([O-])c2Cl)CC1 ZINC000294135709 372591860 /nfs/dbraw/zinc/59/18/60/372591860.db2.gz OAACUFGMZQHNCC-UHFFFAOYSA-N 2 1 282.815 3.008 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccs2)[C@H](C)C1 ZINC000169185426 372627999 /nfs/dbraw/zinc/62/79/99/372627999.db2.gz YNHPGDXLQZLHJG-ZIAGYGMSSA-N 2 1 280.481 3.346 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000294468791 372656150 /nfs/dbraw/zinc/65/61/50/372656150.db2.gz VMJHDMYPKMJLLS-HNNXBMFYSA-N 2 1 264.438 3.416 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000294175700 372603397 /nfs/dbraw/zinc/60/33/97/372603397.db2.gz DBGVTTDMWMQTCL-SWLSCSKDSA-N 2 1 264.438 3.273 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000353380857 220053263 /nfs/dbraw/zinc/05/32/63/220053263.db2.gz CIPHLQKQAMAXBR-CYBMUJFWSA-N 2 1 280.375 3.091 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)CC1CC[NH+](C)CC1 ZINC000353404837 220065802 /nfs/dbraw/zinc/06/58/02/220065802.db2.gz QPNLVMGQCQVHCN-ROUUACIJSA-N 2 1 272.436 3.064 20 0 CGADMP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CN)cc1 ZINC000435373654 372753762 /nfs/dbraw/zinc/75/37/62/372753762.db2.gz NSWZFIGXEJBVDL-QGZVFWFLSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2CN)cc1 ZINC000435373654 372753766 /nfs/dbraw/zinc/75/37/66/372753766.db2.gz NSWZFIGXEJBVDL-QGZVFWFLSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000435373654 372753772 /nfs/dbraw/zinc/75/37/72/372753772.db2.gz NSWZFIGXEJBVDL-QGZVFWFLSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000435373654 372753777 /nfs/dbraw/zinc/75/37/77/372753777.db2.gz NSWZFIGXEJBVDL-QGZVFWFLSA-N 2 1 296.414 3.285 20 0 CGADMP C[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435434031 372761941 /nfs/dbraw/zinc/76/19/41/372761941.db2.gz VVPIVTGMWVHBIS-LJQANCHMSA-N 2 1 295.430 3.323 20 0 CGADMP CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435618021 372784116 /nfs/dbraw/zinc/78/41/16/372784116.db2.gz PCKXWFMUYRPXTD-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435618736 372786165 /nfs/dbraw/zinc/78/61/65/372786165.db2.gz RGVTXXYEACLXHY-MRXNPFEDSA-N 2 1 299.418 3.306 20 0 CGADMP CC[N@@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435618736 372786174 /nfs/dbraw/zinc/78/61/74/372786174.db2.gz RGVTXXYEACLXHY-MRXNPFEDSA-N 2 1 299.418 3.306 20 0 CGADMP C[N@@H+](CCc1c(F)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435619712 372787574 /nfs/dbraw/zinc/78/75/74/372787574.db2.gz VTKQUFYLCNSAFD-LBPRGKRZSA-N 2 1 284.806 3.096 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000435875737 372822897 /nfs/dbraw/zinc/82/28/97/372822897.db2.gz UHMKYWJUSKECLR-WBVHZDCISA-N 2 1 260.425 3.378 20 0 CGADMP C([NH2+][C@H]1CCCSC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435747059 372801663 /nfs/dbraw/zinc/80/16/63/372801663.db2.gz DBLHJOUCCGKELV-HOCLYGCPSA-N 2 1 282.497 3.269 20 0 CGADMP C([NH2+][C@H]1CCCSC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435747059 372801668 /nfs/dbraw/zinc/80/16/68/372801668.db2.gz DBLHJOUCCGKELV-HOCLYGCPSA-N 2 1 282.497 3.269 20 0 CGADMP c1ccc(OCCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000438077623 372870164 /nfs/dbraw/zinc/87/01/64/372870164.db2.gz HCSXBINGRHPMBD-UHFFFAOYSA-N 2 1 288.435 3.062 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cs1 ZINC000295826923 372925803 /nfs/dbraw/zinc/92/58/03/372925803.db2.gz VAMOTGWWTHMYMC-UHFFFAOYSA-N 2 1 296.480 3.036 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000295864997 372939556 /nfs/dbraw/zinc/93/95/56/372939556.db2.gz CFXQHWRIZNVWBY-UHFFFAOYSA-N 2 1 296.361 3.279 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296016952 372995954 /nfs/dbraw/zinc/99/59/54/372995954.db2.gz RPBFIHVPRVSCPX-RLAWYHOSSA-N 2 1 264.438 3.332 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000442776734 373078288 /nfs/dbraw/zinc/07/82/88/373078288.db2.gz HULWSYFGLIEBBI-QWHCGFSZSA-N 2 1 266.454 3.399 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442786723 373082278 /nfs/dbraw/zinc/08/22/78/373082278.db2.gz WAOLKTAGGHLRAK-IYXRBSQSSA-N 2 1 274.399 3.132 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cn1 ZINC000344829176 217324929 /nfs/dbraw/zinc/32/49/29/217324929.db2.gz NBFDEKPKVVXMHX-FUHWJXTLSA-N 2 1 289.467 3.380 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000296365538 373106477 /nfs/dbraw/zinc/10/64/77/373106477.db2.gz IFZYKNPHSBYYAE-HOCLYGCPSA-N 2 1 296.480 3.290 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000443057865 373145424 /nfs/dbraw/zinc/14/54/24/373145424.db2.gz ILZBNDUXJJNFPA-LBPRGKRZSA-N 2 1 284.806 3.082 20 0 CGADMP CCc1ccccc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000444638534 373217457 /nfs/dbraw/zinc/21/74/57/373217457.db2.gz JEAFCLHRAXGDGE-OALUTQOASA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000444638534 373217460 /nfs/dbraw/zinc/21/74/60/373217460.db2.gz JEAFCLHRAXGDGE-OALUTQOASA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000444638534 373217463 /nfs/dbraw/zinc/21/74/63/373217463.db2.gz JEAFCLHRAXGDGE-OALUTQOASA-N 2 1 286.463 3.208 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444706991 373244997 /nfs/dbraw/zinc/24/49/97/373244997.db2.gz XDVUCLRXEYSMIW-CYBMUJFWSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444706991 373245003 /nfs/dbraw/zinc/24/50/03/373245003.db2.gz XDVUCLRXEYSMIW-CYBMUJFWSA-N 2 1 289.345 3.246 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444702303 373246053 /nfs/dbraw/zinc/24/60/53/373246053.db2.gz RDLDAPHQJSTXND-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444702303 373246060 /nfs/dbraw/zinc/24/60/60/373246060.db2.gz RDLDAPHQJSTXND-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444702303 373246067 /nfs/dbraw/zinc/24/60/67/373246067.db2.gz RDLDAPHQJSTXND-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000445207246 373297743 /nfs/dbraw/zinc/29/77/43/373297743.db2.gz IZHDMUHZOXCRLJ-CJNGLKHVSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCc1ccc(Cl)cc1 ZINC000445207246 373297751 /nfs/dbraw/zinc/29/77/51/373297751.db2.gz IZHDMUHZOXCRLJ-CJNGLKHVSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCc1ccc(Cl)cc1 ZINC000445207246 373297759 /nfs/dbraw/zinc/29/77/59/373297759.db2.gz IZHDMUHZOXCRLJ-CJNGLKHVSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCc1ccc(Cl)cc1 ZINC000445207246 373297768 /nfs/dbraw/zinc/29/77/68/373297768.db2.gz IZHDMUHZOXCRLJ-CJNGLKHVSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000445207246 373297774 /nfs/dbraw/zinc/29/77/74/373297774.db2.gz IZHDMUHZOXCRLJ-CJNGLKHVSA-N 2 1 280.843 3.155 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000299106916 373460346 /nfs/dbraw/zinc/46/03/46/373460346.db2.gz GSFLFZIXRUHCCU-INIZCTEOSA-N 2 1 261.413 3.028 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000299106916 373460351 /nfs/dbraw/zinc/46/03/51/373460351.db2.gz GSFLFZIXRUHCCU-INIZCTEOSA-N 2 1 261.413 3.028 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000353633809 220209463 /nfs/dbraw/zinc/20/94/63/220209463.db2.gz UFQLXCYVAFUZNU-GOSISDBHSA-N 2 1 295.430 3.431 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC3(CCC3)C2)C1 ZINC000448059638 373546038 /nfs/dbraw/zinc/54/60/38/373546038.db2.gz CMUOQUDUMPWWFJ-AWEZNQCLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC3(CCC3)C2)C1 ZINC000448059638 373546046 /nfs/dbraw/zinc/54/60/46/373546046.db2.gz CMUOQUDUMPWWFJ-AWEZNQCLSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000300410343 373626957 /nfs/dbraw/zinc/62/69/57/373626957.db2.gz GXABWGVEIOMUCU-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000300410343 373626962 /nfs/dbraw/zinc/62/69/62/373626962.db2.gz GXABWGVEIOMUCU-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP COCC1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000449060077 373658533 /nfs/dbraw/zinc/65/85/33/373658533.db2.gz DODPQGHYPUOVMG-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP COCC1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000449201603 373669698 /nfs/dbraw/zinc/66/96/98/373669698.db2.gz ITRDCOWDBPQUCQ-ABHNRTSZSA-N 2 1 296.499 3.292 20 0 CGADMP COCC1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000449201603 373669711 /nfs/dbraw/zinc/66/97/11/373669711.db2.gz ITRDCOWDBPQUCQ-ABHNRTSZSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000178040928 373737117 /nfs/dbraw/zinc/73/71/17/373737117.db2.gz MXVVVCFJGBXHHM-XHSDSOJGSA-N 2 1 294.439 3.128 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CCC1 ZINC000178112125 373745295 /nfs/dbraw/zinc/74/52/95/373745295.db2.gz MBOAHJCAFUSOKP-CJNGLKHVSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCC1 ZINC000178112125 373745303 /nfs/dbraw/zinc/74/53/03/373745303.db2.gz MBOAHJCAFUSOKP-CJNGLKHVSA-N 2 1 250.430 3.029 20 0 CGADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2cc(F)ccc21 ZINC000301358417 373757716 /nfs/dbraw/zinc/75/77/16/373757716.db2.gz NWWYEHJABZUDCD-ZDUSSCGKSA-N 2 1 287.382 3.152 20 0 CGADMP COCCC[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000178499253 373784020 /nfs/dbraw/zinc/78/40/20/373784020.db2.gz OUWBGJIDWVQYGQ-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CCSCC[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309806222 374197412 /nfs/dbraw/zinc/19/74/12/374197412.db2.gz LFRZKISEAORIEY-QGZVFWFLSA-N 2 1 292.492 3.241 20 0 CGADMP C[C@H]([NH2+]CCCCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309919903 374203564 /nfs/dbraw/zinc/20/35/64/374203564.db2.gz QIZWGCPMPKAIEK-RDJZCZTQSA-N 2 1 278.415 3.236 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000310768600 374223744 /nfs/dbraw/zinc/22/37/44/374223744.db2.gz SIVIROZLUZENEK-QKPAOTATSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC1(C)C)Cc1ccccc1 ZINC000309652654 374190096 /nfs/dbraw/zinc/19/00/96/374190096.db2.gz APCXUZIMEFPRDS-MRXNPFEDSA-N 2 1 260.425 3.287 20 0 CGADMP CSCCC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452115682 374240079 /nfs/dbraw/zinc/24/00/79/374240079.db2.gz KVFLZBSEUSRQEO-UHFFFAOYSA-N 2 1 298.418 3.088 20 0 CGADMP C[N@H+]1CCC[C@@H](CNCc2cc(Cl)sc2Cl)C1 ZINC000312602990 374284944 /nfs/dbraw/zinc/28/49/44/374284944.db2.gz NWMFOZXYXSXZAG-VIFPVBQESA-N 2 1 293.263 3.486 20 0 CGADMP CN(CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000317010250 374336834 /nfs/dbraw/zinc/33/68/34/374336834.db2.gz BABRPGMYCPOMTL-OALUTQOASA-N 2 1 295.430 3.247 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc12 ZINC000317465411 374339947 /nfs/dbraw/zinc/33/99/47/374339947.db2.gz WJUFNXPLCZYGTB-GDBMZVCRSA-N 2 1 298.430 3.421 20 0 CGADMP C[C@H](CCCC[NH3+])[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000314230299 374315020 /nfs/dbraw/zinc/31/50/20/374315020.db2.gz QEMUPPKFRULKFC-QGZVFWFLSA-N 2 1 295.515 3.282 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000183138527 374378756 /nfs/dbraw/zinc/37/87/56/374378756.db2.gz ZHOJMPPBVXDSDN-ORIJERBGSA-N 2 1 263.429 3.242 20 0 CGADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000453330408 374424485 /nfs/dbraw/zinc/42/44/85/374424485.db2.gz YTWVBYAKGLXGDJ-RRFJBIMHSA-N 2 1 264.438 3.019 20 0 CGADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000091660397 541968726 /nfs/dbraw/zinc/96/87/26/541968726.db2.gz VYJHEZLTYGZISE-QGZVFWFLSA-N 2 1 287.451 3.171 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000334222529 206214268 /nfs/dbraw/zinc/21/42/68/206214268.db2.gz VPKDVOMROJBMGB-CCGTUFIJSA-N 2 1 272.436 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000334222529 206214270 /nfs/dbraw/zinc/21/42/70/206214270.db2.gz VPKDVOMROJBMGB-CCGTUFIJSA-N 2 1 272.436 3.037 20 0 CGADMP Cc1cnc(C[NH+]2CCC(c3ccc(C)nc3)CC2)o1 ZINC000334424035 374740029 /nfs/dbraw/zinc/74/00/29/374740029.db2.gz GDQQTGPYCAGZFO-UHFFFAOYSA-N 2 1 271.364 3.066 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459778626 374821116 /nfs/dbraw/zinc/82/11/16/374821116.db2.gz LDTBWEFRKNSLGR-BZUAXINKSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459778632 374821366 /nfs/dbraw/zinc/82/13/66/374821366.db2.gz LDTBWEFRKNSLGR-PMPSAXMXSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@@H+](CC1CCC(F)(F)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000334553666 374850381 /nfs/dbraw/zinc/85/03/81/374850381.db2.gz IQHFJNWAVDYKRB-YIONKMFJSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](CC1CCC(F)(F)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000334553666 374850388 /nfs/dbraw/zinc/85/03/88/374850388.db2.gz IQHFJNWAVDYKRB-YIONKMFJSA-N 2 1 286.410 3.369 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(C)C)C1 ZINC000187023504 374959213 /nfs/dbraw/zinc/95/92/13/374959213.db2.gz KMICTRNSZGTTMP-ROUUACIJSA-N 2 1 274.452 3.185 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000334735516 375017783 /nfs/dbraw/zinc/01/77/83/375017783.db2.gz QAHWIFQRTOCVDY-AAEUAGOBSA-N 2 1 289.810 3.057 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+](C)C)CCCS2 ZINC000187680806 375070989 /nfs/dbraw/zinc/07/09/89/375070989.db2.gz YBZVJRFQBKQURZ-HNNXBMFYSA-N 2 1 294.464 3.164 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334998176 375060660 /nfs/dbraw/zinc/06/06/60/375060660.db2.gz LNCUGUQCSVCCER-WBMJQRKESA-N 2 1 278.827 3.259 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334998176 375060662 /nfs/dbraw/zinc/06/06/62/375060662.db2.gz LNCUGUQCSVCCER-WBMJQRKESA-N 2 1 278.827 3.259 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CCC1 ZINC000474485249 375115929 /nfs/dbraw/zinc/11/59/29/375115929.db2.gz PEQDALDEGROMKS-CZUORRHYSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)CC[N@@H+]1C ZINC000335233972 375251814 /nfs/dbraw/zinc/25/18/14/375251814.db2.gz UYMNJCQNEFHUHQ-UONOGXRCSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)CC[N@H+]1C ZINC000335233972 375251820 /nfs/dbraw/zinc/25/18/20/375251820.db2.gz UYMNJCQNEFHUHQ-UONOGXRCSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CC2)CC1 ZINC000488428455 375309119 /nfs/dbraw/zinc/30/91/19/375309119.db2.gz BBJCHALZTIOKMR-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CC2)CC1 ZINC000488428455 375309127 /nfs/dbraw/zinc/30/91/27/375309127.db2.gz BBJCHALZTIOKMR-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC([NH+](C)C)CC1 ZINC000335463515 375310149 /nfs/dbraw/zinc/31/01/49/375310149.db2.gz VRWXVXNOFXGFRB-UHFFFAOYSA-N 2 1 269.392 3.074 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CSC)c2)[C@H](C)C1 ZINC000188724363 375261066 /nfs/dbraw/zinc/26/10/66/375261066.db2.gz GUKDERKZKFWKNK-RHSMWYFYSA-N 2 1 292.492 3.370 20 0 CGADMP CC(C)OC1CC([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000189512956 375401237 /nfs/dbraw/zinc/40/12/37/375401237.db2.gz KFXUAKIUKUQGCP-UHFFFAOYSA-N 2 1 290.451 3.054 20 0 CGADMP CCCCOc1ccccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491558350 375331779 /nfs/dbraw/zinc/33/17/79/375331779.db2.gz FVZFGAOCOMNJKO-HNNXBMFYSA-N 2 1 278.440 3.153 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000335817403 375456142 /nfs/dbraw/zinc/45/61/42/375456142.db2.gz DANQURDRHOATPN-HUUCEWRRSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000335817403 375456147 /nfs/dbraw/zinc/45/61/47/375456147.db2.gz DANQURDRHOATPN-HUUCEWRRSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000335817403 375456151 /nfs/dbraw/zinc/45/61/51/375456151.db2.gz DANQURDRHOATPN-HUUCEWRRSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000335817403 375456158 /nfs/dbraw/zinc/45/61/58/375456158.db2.gz DANQURDRHOATPN-HUUCEWRRSA-N 2 1 291.439 3.023 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000335843520 375477090 /nfs/dbraw/zinc/47/70/90/375477090.db2.gz HRBYTCIWSMZSGS-DOMZBBRYSA-N 2 1 298.434 3.203 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000335843520 375477095 /nfs/dbraw/zinc/47/70/95/375477095.db2.gz HRBYTCIWSMZSGS-DOMZBBRYSA-N 2 1 298.434 3.203 20 0 CGADMP Clc1cc(Cl)cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000336004857 375611878 /nfs/dbraw/zinc/61/18/78/375611878.db2.gz JSVOPTVUIFJDOQ-LBPRGKRZSA-N 2 1 296.201 3.364 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2ccncc2)CC1 ZINC000191673423 375651715 /nfs/dbraw/zinc/65/17/15/375651715.db2.gz YVZKAAJDNJUZJV-UHFFFAOYSA-N 2 1 298.434 3.246 20 0 CGADMP Oc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192922279 375802900 /nfs/dbraw/zinc/80/29/00/375802900.db2.gz HVILECKMTCAIPS-GOSISDBHSA-N 2 1 296.414 3.004 20 0 CGADMP Cc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000192954111 375807945 /nfs/dbraw/zinc/80/79/45/375807945.db2.gz VNOJBFIBEDCASD-KRWDZBQOSA-N 2 1 296.418 3.027 20 0 CGADMP Cc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000192954111 375807951 /nfs/dbraw/zinc/80/79/51/375807951.db2.gz VNOJBFIBEDCASD-KRWDZBQOSA-N 2 1 296.418 3.027 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261542131 296237658 /nfs/dbraw/zinc/23/76/58/296237658.db2.gz BVTJWGSHOPHFRE-FZMZJTMJSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261542131 296237659 /nfs/dbraw/zinc/23/76/59/296237659.db2.gz BVTJWGSHOPHFRE-FZMZJTMJSA-N 2 1 297.240 3.181 20 0 CGADMP CSC1(C[NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000336789886 375939938 /nfs/dbraw/zinc/93/99/38/375939938.db2.gz VIAWRIWOCIILMK-UHFFFAOYSA-N 2 1 270.486 3.126 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C)c2ccccc2)C1 ZINC000194029195 375950006 /nfs/dbraw/zinc/95/00/06/375950006.db2.gz IBHXBZCTPRWSIJ-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194029195 375950008 /nfs/dbraw/zinc/95/00/08/375950008.db2.gz IBHXBZCTPRWSIJ-SJORKVTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2sc(C)nc2C)C[C@H]1C ZINC000336802565 375950991 /nfs/dbraw/zinc/95/09/91/375950991.db2.gz VCGIHSWMLADYMY-BXUZGUMPSA-N 2 1 281.469 3.065 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000535307035 376032519 /nfs/dbraw/zinc/03/25/19/376032519.db2.gz FEQBTYOCIPOAIT-QGZVFWFLSA-N 2 1 283.419 3.015 20 0 CGADMP C[C@@H]([N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)C(C)(C)C ZINC000211949937 376136296 /nfs/dbraw/zinc/13/62/96/376136296.db2.gz VQDTWMBGQPWJKA-CYBMUJFWSA-N 2 1 260.425 3.199 20 0 CGADMP C[N@@H+](CCc1cccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211976805 376136970 /nfs/dbraw/zinc/13/69/70/376136970.db2.gz VLOLCOXEWAWSIL-UHFFFAOYSA-N 2 1 286.444 3.068 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCOC2)CC1)CC(C)C ZINC000536886092 376140865 /nfs/dbraw/zinc/14/08/65/376140865.db2.gz PEZLHXVEGGKKLA-SFHVURJKSA-N 2 1 296.499 3.103 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCOC2)CC1)CC(C)C ZINC000536886070 376142000 /nfs/dbraw/zinc/14/20/00/376142000.db2.gz PEZLHXVEGGKKLA-GOSISDBHSA-N 2 1 296.499 3.103 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337282615 376189022 /nfs/dbraw/zinc/18/90/22/376189022.db2.gz XMJDAUDLSLLRJV-MRXNPFEDSA-N 2 1 260.425 3.474 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)C1 ZINC000537296699 376160895 /nfs/dbraw/zinc/16/08/95/376160895.db2.gz YTVQPKUACMRTDN-VQHPVUNQSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000536694911 376124803 /nfs/dbraw/zinc/12/48/03/376124803.db2.gz COZUOCDEAVBIBD-DOTOQJQBSA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000536694911 376124813 /nfs/dbraw/zinc/12/48/13/376124813.db2.gz COZUOCDEAVBIBD-DOTOQJQBSA-N 2 1 262.441 3.006 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000536694911 376124819 /nfs/dbraw/zinc/12/48/19/376124819.db2.gz COZUOCDEAVBIBD-DOTOQJQBSA-N 2 1 262.441 3.006 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337525939 376227287 /nfs/dbraw/zinc/22/72/87/376227287.db2.gz RPJLEWLVWNSPLM-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337525939 376227292 /nfs/dbraw/zinc/22/72/92/376227292.db2.gz RPJLEWLVWNSPLM-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP FCCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337986866 376250212 /nfs/dbraw/zinc/25/02/12/376250212.db2.gz CDDRZPBQCDUICA-CZUORRHYSA-N 2 1 268.420 3.121 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337990861 376250688 /nfs/dbraw/zinc/25/06/88/376250688.db2.gz FGNYQPLRIUCYJY-HYVNUMGLSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+](CC)CCC[N@H+](Cc1cccnc1)C(C)C ZINC000338280812 376310793 /nfs/dbraw/zinc/31/07/93/376310793.db2.gz UIWXAVJSLJEZFC-UHFFFAOYSA-N 2 1 263.429 3.024 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](Cc1cccnc1)C(C)C ZINC000338280812 376310798 /nfs/dbraw/zinc/31/07/98/376310798.db2.gz UIWXAVJSLJEZFC-UHFFFAOYSA-N 2 1 263.429 3.024 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000226331114 376353317 /nfs/dbraw/zinc/35/33/17/376353317.db2.gz OEWXPBDYBFGQLX-SRVKXCTJSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000226331114 376353320 /nfs/dbraw/zinc/35/33/20/376353320.db2.gz OEWXPBDYBFGQLX-SRVKXCTJSA-N 2 1 268.351 3.085 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(F)cc1C ZINC000338360252 376349420 /nfs/dbraw/zinc/34/94/20/376349420.db2.gz PUPVNXRBIMQLPF-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(F)cc1C ZINC000338360252 376349426 /nfs/dbraw/zinc/34/94/26/376349426.db2.gz PUPVNXRBIMQLPF-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000540175153 376362830 /nfs/dbraw/zinc/36/28/30/376362830.db2.gz HPZWQYUHTBIJMG-FVQBIDKESA-N 2 1 263.429 3.242 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000226786480 376373336 /nfs/dbraw/zinc/37/33/36/376373336.db2.gz JIKVTFRWQMYTDX-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccccc2)C1 ZINC000227031328 376378976 /nfs/dbraw/zinc/37/89/76/376378976.db2.gz CWHOMAYPJOZFMK-AEFFLSMTSA-N 2 1 274.452 3.328 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000227074006 376381417 /nfs/dbraw/zinc/38/14/17/376381417.db2.gz MWPBOZIIABZAET-JKSUJKDBSA-N 2 1 260.425 3.171 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000230001032 376480075 /nfs/dbraw/zinc/48/00/75/376480075.db2.gz IUPUKYCKMSVKFU-UHFFFAOYSA-N 2 1 290.357 3.316 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000230001032 376480080 /nfs/dbraw/zinc/48/00/80/376480080.db2.gz IUPUKYCKMSVKFU-UHFFFAOYSA-N 2 1 290.357 3.316 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338687099 376479942 /nfs/dbraw/zinc/47/99/42/376479942.db2.gz LGJGEEGJOUZZOZ-FHLIZLRMSA-N 2 1 283.419 3.363 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCCCC1 ZINC000541564437 376459226 /nfs/dbraw/zinc/45/92/26/376459226.db2.gz PRTDFFKITYJOTB-AWEZNQCLSA-N 2 1 250.430 3.197 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000542152838 376511170 /nfs/dbraw/zinc/51/11/70/376511170.db2.gz USPNSZAFSDCJMA-AWEZNQCLSA-N 2 1 280.481 3.485 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000542152838 376511177 /nfs/dbraw/zinc/51/11/77/376511177.db2.gz USPNSZAFSDCJMA-AWEZNQCLSA-N 2 1 280.481 3.485 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000231460512 376559732 /nfs/dbraw/zinc/55/97/32/376559732.db2.gz JZJXZEOVZGBFGM-GOSISDBHSA-N 2 1 268.404 3.414 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCCCC1 ZINC000542473930 376545315 /nfs/dbraw/zinc/54/53/15/376545315.db2.gz UTZNCNQEUFMJFC-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000235168658 376632087 /nfs/dbraw/zinc/63/20/87/376632087.db2.gz RGENFEOELDNBJA-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000235168658 376632094 /nfs/dbraw/zinc/63/20/94/376632094.db2.gz RGENFEOELDNBJA-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP CC(C)(C)CC[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000236609828 376672827 /nfs/dbraw/zinc/67/28/27/376672827.db2.gz PZHNBMCJACMGMH-UHFFFAOYSA-N 2 1 290.451 3.045 20 0 CGADMP c1cc(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000543960028 376689641 /nfs/dbraw/zinc/68/96/41/376689641.db2.gz NZLNZBYAEKRTJJ-QGZVFWFLSA-N 2 1 292.492 3.489 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000236946501 376717687 /nfs/dbraw/zinc/71/76/87/376717687.db2.gz YWWTXYAAXIMZNI-CQSZACIVSA-N 2 1 287.407 3.016 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150127926 542098938 /nfs/dbraw/zinc/09/89/38/542098938.db2.gz KHVMLFBSYIYPHJ-CYBMUJFWSA-N 2 1 268.351 3.056 20 0 CGADMP Cc1cccc2c(NC[C@@H]3CC[N@H+](C(C)C)C3)c(C)c[nH+]c12 ZINC000545196103 376795847 /nfs/dbraw/zinc/79/58/47/376795847.db2.gz URVJJCZJDJXBHY-INIZCTEOSA-N 2 1 297.446 3.416 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2)[C@@H](C)C1 ZINC000245424782 376813632 /nfs/dbraw/zinc/81/36/32/376813632.db2.gz KHHWQJILERKMPO-FUHWJXTLSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2)[C@@H](C)C1 ZINC000245424782 376813635 /nfs/dbraw/zinc/81/36/35/376813635.db2.gz KHHWQJILERKMPO-FUHWJXTLSA-N 2 1 274.452 3.281 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2)[C@@H](C)C1 ZINC000245424782 376813640 /nfs/dbraw/zinc/81/36/40/376813640.db2.gz KHHWQJILERKMPO-FUHWJXTLSA-N 2 1 274.452 3.281 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245517313 376840237 /nfs/dbraw/zinc/84/02/37/376840237.db2.gz RIODMDKXVORMBD-KDOFPFPSSA-N 2 1 290.426 3.477 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000245537828 376845136 /nfs/dbraw/zinc/84/51/36/376845136.db2.gz JFZOXKHAPUYHAS-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1cccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)n1 ZINC000245576279 376860134 /nfs/dbraw/zinc/86/01/34/376860134.db2.gz BAWMATYNPSTDES-WBVHZDCISA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000245576279 376860143 /nfs/dbraw/zinc/86/01/43/376860143.db2.gz BAWMATYNPSTDES-WBVHZDCISA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000245576279 376860146 /nfs/dbraw/zinc/86/01/46/376860146.db2.gz BAWMATYNPSTDES-WBVHZDCISA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000245576279 376860156 /nfs/dbraw/zinc/86/01/56/376860156.db2.gz BAWMATYNPSTDES-WBVHZDCISA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000556868823 376892876 /nfs/dbraw/zinc/89/28/76/376892876.db2.gz WRZBSPFIJSMBKS-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000556868823 376892879 /nfs/dbraw/zinc/89/28/79/376892879.db2.gz WRZBSPFIJSMBKS-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000556868823 376892884 /nfs/dbraw/zinc/89/28/84/376892884.db2.gz WRZBSPFIJSMBKS-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000556868823 376892890 /nfs/dbraw/zinc/89/28/90/376892890.db2.gz WRZBSPFIJSMBKS-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000556870548 376894025 /nfs/dbraw/zinc/89/40/25/376894025.db2.gz OSBACRFRRLPGPM-QRVBRYPASA-N 2 1 286.463 3.308 20 0 CGADMP CCN(CC)c1ccc(N[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000245934445 376938299 /nfs/dbraw/zinc/93/82/99/376938299.db2.gz WSJMSEMOVFVJLN-GOEBONIOSA-N 2 1 290.455 3.070 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCc3ccccc32)CC[N@H+]1C ZINC000246053510 376958430 /nfs/dbraw/zinc/95/84/30/376958430.db2.gz PZBYWDHUXBXNDG-SZVBFZGTSA-N 2 1 286.463 3.353 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246188279 376984912 /nfs/dbraw/zinc/98/49/12/376984912.db2.gz LRKUDMXXWFQSAB-GJZGRUSLSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246188279 376984918 /nfs/dbraw/zinc/98/49/18/376984918.db2.gz LRKUDMXXWFQSAB-GJZGRUSLSA-N 2 1 276.399 3.304 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000246215438 376991467 /nfs/dbraw/zinc/99/14/67/376991467.db2.gz PMNUCNCYHLFJOP-JQWIXIFHSA-N 2 1 272.845 3.221 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000246215438 376991470 /nfs/dbraw/zinc/99/14/70/376991470.db2.gz PMNUCNCYHLFJOP-JQWIXIFHSA-N 2 1 272.845 3.221 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000246873237 377109327 /nfs/dbraw/zinc/10/93/27/377109327.db2.gz DBSLORBFQDQLEA-IACUBPJLSA-N 2 1 282.378 3.488 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000246926672 377121344 /nfs/dbraw/zinc/12/13/44/377121344.db2.gz JGTZKUXBBDPJIK-WMLDXEAASA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)[C@H](C)C1 ZINC000340447990 377065342 /nfs/dbraw/zinc/06/53/42/377065342.db2.gz IKMNBKRYGJBFQA-CZUORRHYSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)[C@H](C)C1 ZINC000340447990 377065348 /nfs/dbraw/zinc/06/53/48/377065348.db2.gz IKMNBKRYGJBFQA-CZUORRHYSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000246829560 377100164 /nfs/dbraw/zinc/10/01/64/377100164.db2.gz AJRYGMBUXRQASN-WMLDXEAASA-N 2 1 292.442 3.423 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C)c2C)C1 ZINC000246844769 377102677 /nfs/dbraw/zinc/10/26/77/377102677.db2.gz CHWVYIRYHLASJU-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCCCC1 ZINC000559898196 377106385 /nfs/dbraw/zinc/10/63/85/377106385.db2.gz YMWHITVNXCQNLG-HJWJTTGWSA-N 2 1 264.457 3.133 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C12CCCCC2 ZINC000246960937 377127330 /nfs/dbraw/zinc/12/73/30/377127330.db2.gz HWVQKABOELEVEE-LUKYLMHMSA-N 2 1 294.483 3.187 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCCCC2 ZINC000246960937 377127336 /nfs/dbraw/zinc/12/73/36/377127336.db2.gz HWVQKABOELEVEE-LUKYLMHMSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247022514 377142617 /nfs/dbraw/zinc/14/26/17/377142617.db2.gz LVDOZZDVAZDQEZ-YESZJQIVSA-N 2 1 290.451 3.143 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247022514 377142629 /nfs/dbraw/zinc/14/26/29/377142629.db2.gz LVDOZZDVAZDQEZ-YESZJQIVSA-N 2 1 290.451 3.143 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000560525861 377163495 /nfs/dbraw/zinc/16/34/95/377163495.db2.gz BNHNYYZANUFLOZ-KCXAZCMYSA-N 2 1 296.817 3.442 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554679 377170713 /nfs/dbraw/zinc/17/07/13/377170713.db2.gz HUEIMNBVAITKMW-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554679 377170722 /nfs/dbraw/zinc/17/07/22/377170722.db2.gz HUEIMNBVAITKMW-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554679 377170728 /nfs/dbraw/zinc/17/07/28/377170728.db2.gz HUEIMNBVAITKMW-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000247187378 377174034 /nfs/dbraw/zinc/17/40/34/377174034.db2.gz VPSADLOLGMOEKZ-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000560594370 377176965 /nfs/dbraw/zinc/17/69/65/377176965.db2.gz HGDUOYAHHJKCQC-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000560594370 377176973 /nfs/dbraw/zinc/17/69/73/377176973.db2.gz HGDUOYAHHJKCQC-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000560594370 377176982 /nfs/dbraw/zinc/17/69/82/377176982.db2.gz HGDUOYAHHJKCQC-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)Oc1ccccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000247222413 377179203 /nfs/dbraw/zinc/17/92/03/377179203.db2.gz XUDAELKEWDJOKT-ZMSDIMECSA-N 2 1 290.451 3.292 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000247222413 377179211 /nfs/dbraw/zinc/17/92/11/377179211.db2.gz XUDAELKEWDJOKT-ZMSDIMECSA-N 2 1 290.451 3.292 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247221608 377181024 /nfs/dbraw/zinc/18/10/24/377181024.db2.gz RHFYDLGIUNCFNJ-CVEARBPZSA-N 2 1 290.451 3.420 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000247221608 377181032 /nfs/dbraw/zinc/18/10/32/377181032.db2.gz RHFYDLGIUNCFNJ-CVEARBPZSA-N 2 1 290.451 3.420 20 0 CGADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247234908 377184336 /nfs/dbraw/zinc/18/43/36/377184336.db2.gz XFCZSWLVXVTKRB-KYHPRHEASA-N 2 1 290.451 3.081 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3c2cccc3C)[C@@H](C)C1 ZINC000247961191 377248776 /nfs/dbraw/zinc/24/87/76/377248776.db2.gz GFOHOIPCVVTHHF-YJBOKZPZSA-N 2 1 299.462 3.339 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000561981689 377258904 /nfs/dbraw/zinc/25/89/04/377258904.db2.gz CXQMZAUWKMFVQA-HOCLYGCPSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CCC(C)(C)CC1 ZINC000561981689 377258907 /nfs/dbraw/zinc/25/89/07/377258907.db2.gz CXQMZAUWKMFVQA-HOCLYGCPSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CCC(C)(C)CC1 ZINC000561981689 377258910 /nfs/dbraw/zinc/25/89/10/377258910.db2.gz CXQMZAUWKMFVQA-HOCLYGCPSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CCC(C)(C)CC1 ZINC000561981689 377258914 /nfs/dbraw/zinc/25/89/14/377258914.db2.gz CXQMZAUWKMFVQA-HOCLYGCPSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000561981689 377258916 /nfs/dbraw/zinc/25/89/16/377258916.db2.gz CXQMZAUWKMFVQA-HOCLYGCPSA-N 2 1 266.473 3.475 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCn2ccc3ccccc32)[C@@H](C)C1 ZINC000248040043 377260706 /nfs/dbraw/zinc/26/07/06/377260706.db2.gz SNDSBGBLWDAOJA-FUHWJXTLSA-N 2 1 299.462 3.351 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000161625689 542160351 /nfs/dbraw/zinc/16/03/51/542160351.db2.gz ZHJRAUZNAJDOBK-QGZVFWFLSA-N 2 1 276.399 3.277 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000563137720 377406592 /nfs/dbraw/zinc/40/65/92/377406592.db2.gz LMQDXVVBJFBOJC-MOPGFXCFSA-N 2 1 286.463 3.249 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000248830374 377408703 /nfs/dbraw/zinc/40/87/03/377408703.db2.gz HHICHKGCXGAWBL-NFAWXSAZSA-N 2 1 262.397 3.119 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000248830344 377408861 /nfs/dbraw/zinc/40/88/61/377408861.db2.gz HGZSVNAQKSJAGL-QCLGFWRNSA-N 2 1 294.483 3.185 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000249088729 377458699 /nfs/dbraw/zinc/45/86/99/377458699.db2.gz GCXUKXFZDGFRAP-IPMKNSEASA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000249374082 377493928 /nfs/dbraw/zinc/49/39/28/377493928.db2.gz HEJDPAZYIKFLFZ-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CC=CCC3)CC2)cc1 ZINC000088747850 249027226 /nfs/dbraw/zinc/02/72/26/249027226.db2.gz SOGUMFNZWCBDII-SFHVURJKSA-N 2 1 284.447 3.392 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166481940 542175718 /nfs/dbraw/zinc/17/57/18/542175718.db2.gz BUBZXCNRURAKLR-DLBZAZTESA-N 2 1 290.426 3.320 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166830967 542175888 /nfs/dbraw/zinc/17/58/88/542175888.db2.gz OXNNZSOTKNBNAM-IAGOWNOFSA-N 2 1 288.435 3.110 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166830967 542175892 /nfs/dbraw/zinc/17/58/92/542175892.db2.gz OXNNZSOTKNBNAM-IAGOWNOFSA-N 2 1 288.435 3.110 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2ccccc2c1 ZINC000274957488 249065834 /nfs/dbraw/zinc/06/58/34/249065834.db2.gz PBQDDLSHRMMHDP-CQSZACIVSA-N 2 1 279.387 3.467 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166616579 542174710 /nfs/dbraw/zinc/17/47/10/542174710.db2.gz ATTCAZNUUWFJLN-BRWVUGGUSA-N 2 1 287.451 3.304 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166616579 542174713 /nfs/dbraw/zinc/17/47/13/542174713.db2.gz ATTCAZNUUWFJLN-BRWVUGGUSA-N 2 1 287.451 3.304 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422909089 249127047 /nfs/dbraw/zinc/12/70/47/249127047.db2.gz ZVRCCQMQIJFQRK-BEFAXECRSA-N 2 1 298.430 3.133 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459389399 249149154 /nfs/dbraw/zinc/14/91/54/249149154.db2.gz NLKZAWNYDNNXNE-WLYUNCDWSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000469864812 249160379 /nfs/dbraw/zinc/16/03/79/249160379.db2.gz GNWCIQXNSRDSQK-OLZOCXBDSA-N 2 1 288.366 3.255 20 0 CGADMP Cc1cc2cc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)oc2cc1C ZINC000469857914 249160537 /nfs/dbraw/zinc/16/05/37/249160537.db2.gz YZXIRJWKOHZNBT-KGLIPLIRSA-N 2 1 272.392 3.219 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000469992548 249166109 /nfs/dbraw/zinc/16/61/09/249166109.db2.gz QQIPHJINQCRRAG-KRWDZBQOSA-N 2 1 280.415 3.395 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250891342 377569240 /nfs/dbraw/zinc/56/92/40/377569240.db2.gz XQRCFHRTTBPVFG-XJFOESAGSA-N 2 1 290.373 3.324 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250891342 377569246 /nfs/dbraw/zinc/56/92/46/377569246.db2.gz XQRCFHRTTBPVFG-XJFOESAGSA-N 2 1 290.373 3.324 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250976743 377570570 /nfs/dbraw/zinc/57/05/70/377570570.db2.gz CNLLVMOEPBHVHG-OAGGEKHMSA-N 2 1 258.409 3.272 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514861595 249192440 /nfs/dbraw/zinc/19/24/40/249192440.db2.gz MPJKJRRDPDJNEE-KRWDZBQOSA-N 2 1 286.444 3.477 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000251585647 377588347 /nfs/dbraw/zinc/58/83/47/377588347.db2.gz BEBGFTUHKCLJNX-LPHOPBHVSA-N 2 1 286.463 3.398 20 0 CGADMP CCC(CC)(C[NH2+][C@H](C)[C@H](C)O)[NH2+][C@@H](C)c1ccccc1 ZINC000573914269 377593201 /nfs/dbraw/zinc/59/32/01/377593201.db2.gz WQUMTFJMPRMMQF-PMPSAXMXSA-N 2 1 292.467 3.255 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H]1C ZINC000251922550 377605842 /nfs/dbraw/zinc/60/58/42/377605842.db2.gz USZJQOIFMACWQY-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H]1C ZINC000251922550 377605845 /nfs/dbraw/zinc/60/58/45/377605845.db2.gz USZJQOIFMACWQY-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000252003343 377609945 /nfs/dbraw/zinc/60/99/45/377609945.db2.gz WYRRBTMKGZQRJV-IEBWSBKVSA-N 2 1 299.462 3.192 20 0 CGADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000252003343 377609948 /nfs/dbraw/zinc/60/99/48/377609948.db2.gz WYRRBTMKGZQRJV-IEBWSBKVSA-N 2 1 299.462 3.192 20 0 CGADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000252003343 377609951 /nfs/dbraw/zinc/60/99/51/377609951.db2.gz WYRRBTMKGZQRJV-IEBWSBKVSA-N 2 1 299.462 3.192 20 0 CGADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000252003343 377609954 /nfs/dbraw/zinc/60/99/54/377609954.db2.gz WYRRBTMKGZQRJV-IEBWSBKVSA-N 2 1 299.462 3.192 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252133521 377614690 /nfs/dbraw/zinc/61/46/90/377614690.db2.gz MHEZRUHVIUQLMS-WCVJEAGWSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252119610 377615209 /nfs/dbraw/zinc/61/52/09/377615209.db2.gz JDBUIVCPKFNFLJ-LEOABGAYSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccnc2ccccc12 ZINC000574202278 377632489 /nfs/dbraw/zinc/63/24/89/377632489.db2.gz ZNRSHYSRUSRXMD-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccnc2ccccc12 ZINC000574202278 377632495 /nfs/dbraw/zinc/63/24/95/377632495.db2.gz ZNRSHYSRUSRXMD-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccnc2ccccc12 ZINC000574202278 377632504 /nfs/dbraw/zinc/63/25/04/377632504.db2.gz ZNRSHYSRUSRXMD-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccnc2ccccc12 ZINC000574202278 377632510 /nfs/dbraw/zinc/63/25/10/377632510.db2.gz ZNRSHYSRUSRXMD-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252672477 377647641 /nfs/dbraw/zinc/64/76/41/377647641.db2.gz AODFIWJVPJLKNN-IRXDYDNUSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000252708557 377652431 /nfs/dbraw/zinc/65/24/31/377652431.db2.gz AKHCFVFSJCELSN-KBMXLJTQSA-N 2 1 288.435 3.219 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000252708557 377652436 /nfs/dbraw/zinc/65/24/36/377652436.db2.gz AKHCFVFSJCELSN-KBMXLJTQSA-N 2 1 288.435 3.219 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252713290 377653812 /nfs/dbraw/zinc/65/38/12/377653812.db2.gz OTKYAYZAHSSALJ-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000252895484 377669331 /nfs/dbraw/zinc/66/93/31/377669331.db2.gz YZXCMYFBBYJMJQ-SMDDNHRTSA-N 2 1 286.341 3.135 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252892889 377669465 /nfs/dbraw/zinc/66/94/65/377669465.db2.gz PAIOEXPHFZXEFU-RHSMWYFYSA-N 2 1 260.425 3.240 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000253354942 377684820 /nfs/dbraw/zinc/68/48/20/377684820.db2.gz QZHWYRUGLZYWJW-CYGHRXIMSA-N 2 1 290.451 3.083 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000574946224 377727258 /nfs/dbraw/zinc/72/72/58/377727258.db2.gz XHLKRHFXUROFMP-USXIJHARSA-N 2 1 260.425 3.108 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000574946224 377727269 /nfs/dbraw/zinc/72/72/69/377727269.db2.gz XHLKRHFXUROFMP-USXIJHARSA-N 2 1 260.425 3.108 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000342762856 377778194 /nfs/dbraw/zinc/77/81/94/377778194.db2.gz GFLHTXIGKTVGRV-MRXNPFEDSA-N 2 1 294.414 3.143 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342699822 377743237 /nfs/dbraw/zinc/74/32/37/377743237.db2.gz PXKWXEPTDRQUDR-IRXDYDNUSA-N 2 1 299.418 3.027 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546325 377816826 /nfs/dbraw/zinc/81/68/26/377816826.db2.gz KUNIWWLPRZXIDT-GJZGRUSLSA-N 2 1 284.403 3.091 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000261591024 377823735 /nfs/dbraw/zinc/82/37/35/377823735.db2.gz XJNAITDMRMESJX-VIFPVBQESA-N 2 1 260.303 3.093 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261612052 377825242 /nfs/dbraw/zinc/82/52/42/377825242.db2.gz FCRHOWXWYIVOJK-MAUKXSAKSA-N 2 1 280.415 3.364 20 0 CGADMP C[NH2+]C1CC[NH+](CCOc2ccc(C(C)C)c(C)c2)CC1 ZINC000261653440 377834399 /nfs/dbraw/zinc/83/43/99/377834399.db2.gz JXCRHLGZQCFHRY-UHFFFAOYSA-N 2 1 290.451 3.181 20 0 CGADMP CCCCC[N@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000342860783 377841502 /nfs/dbraw/zinc/84/15/02/377841502.db2.gz QUKJWGALINJNBH-UHFFFAOYSA-N 2 1 251.418 3.482 20 0 CGADMP CCCCC[N@@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000342860783 377841510 /nfs/dbraw/zinc/84/15/10/377841510.db2.gz QUKJWGALINJNBH-UHFFFAOYSA-N 2 1 251.418 3.482 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000261880208 377863272 /nfs/dbraw/zinc/86/32/72/377863272.db2.gz YKEIKGVLEZOHRB-KRWDZBQOSA-N 2 1 258.409 3.132 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261914134 377867984 /nfs/dbraw/zinc/86/79/84/377867984.db2.gz YYQBNZYFCHZXQM-CQSZACIVSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261914134 377867991 /nfs/dbraw/zinc/86/79/91/377867991.db2.gz YYQBNZYFCHZXQM-CQSZACIVSA-N 2 1 287.234 3.425 20 0 CGADMP C[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000261948551 377871193 /nfs/dbraw/zinc/87/11/93/377871193.db2.gz NOOHXQLLXOJDNI-LBPRGKRZSA-N 2 1 266.816 3.127 20 0 CGADMP CCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000261976408 377874307 /nfs/dbraw/zinc/87/43/07/377874307.db2.gz ITDJPHTUPZPCRA-RTBURBONSA-N 2 1 286.463 3.256 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@]2(C)CC[NH2+]C2)C(C)C)s1 ZINC000261977851 377874377 /nfs/dbraw/zinc/87/43/77/377874377.db2.gz IXGCEJJNCRJDBS-OAHLLOKOSA-N 2 1 266.454 3.267 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@@]1(C)CC[NH2+]C1 ZINC000261980373 377875254 /nfs/dbraw/zinc/87/52/54/377875254.db2.gz JDXJLMORYBKJTR-ZDUSSCGKSA-N 2 1 272.845 3.223 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)s1)C[C@@]1(C)CC[NH2+]C1 ZINC000261980373 377875260 /nfs/dbraw/zinc/87/52/60/377875260.db2.gz JDXJLMORYBKJTR-ZDUSSCGKSA-N 2 1 272.845 3.223 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1ccc2ccccc2c1 ZINC000261834684 377859175 /nfs/dbraw/zinc/85/91/75/377859175.db2.gz UYJKQBXGBZHSGO-GOSISDBHSA-N 2 1 270.420 3.345 20 0 CGADMP C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575427695 377907614 /nfs/dbraw/zinc/90/76/14/377907614.db2.gz YRDLYRNJPVSOOC-GJZGRUSLSA-N 2 1 277.456 3.499 20 0 CGADMP C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000575427695 377907616 /nfs/dbraw/zinc/90/76/16/377907616.db2.gz YRDLYRNJPVSOOC-GJZGRUSLSA-N 2 1 277.456 3.499 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)cc1 ZINC000578237059 378050712 /nfs/dbraw/zinc/05/07/12/378050712.db2.gz YCLGQEVTJZUYGU-HEHGZKQESA-N 2 1 285.391 3.009 20 0 CGADMP COCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268793829 378111921 /nfs/dbraw/zinc/11/19/21/378111921.db2.gz VWRVIKSFQCCMIT-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP COCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268793829 378111925 /nfs/dbraw/zinc/11/19/25/378111925.db2.gz VWRVIKSFQCCMIT-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268721786 378094967 /nfs/dbraw/zinc/09/49/67/378094967.db2.gz IFVKETWQFXEHFG-CQSZACIVSA-N 2 1 276.424 3.099 20 0 CGADMP CC[N@@H+](CCCOc1ccccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345206163 378222739 /nfs/dbraw/zinc/22/27/39/378222739.db2.gz OPQIQXJMAGCJCI-QGZVFWFLSA-N 2 1 290.451 3.228 20 0 CGADMP CCC(CC)[C@H](NC[C@@H](O)C[N@@H+](C)CC)c1cccs1 ZINC000579854888 378202692 /nfs/dbraw/zinc/20/26/92/378202692.db2.gz OBDIMPZDNUKRJI-ZBFHGGJFSA-N 2 1 298.496 3.128 20 0 CGADMP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1cccs1 ZINC000579854888 378202698 /nfs/dbraw/zinc/20/26/98/378202698.db2.gz OBDIMPZDNUKRJI-ZBFHGGJFSA-N 2 1 298.496 3.128 20 0 CGADMP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1cccs1 ZINC000579854888 378202702 /nfs/dbraw/zinc/20/27/02/378202702.db2.gz OBDIMPZDNUKRJI-ZBFHGGJFSA-N 2 1 298.496 3.128 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000345143947 378203880 /nfs/dbraw/zinc/20/38/80/378203880.db2.gz QIIXMAWFDOHIJM-UHFFFAOYSA-N 2 1 250.430 3.054 20 0 CGADMP Oc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000579386776 378157303 /nfs/dbraw/zinc/15/73/03/378157303.db2.gz ONBOZXCDPLTGJZ-UHFFFAOYSA-N 2 1 288.435 3.279 20 0 CGADMP CCC(CC)[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000579693479 378183745 /nfs/dbraw/zinc/18/37/45/378183745.db2.gz NFIPVFFFAZATKM-OAHLLOKOSA-N 2 1 290.451 3.391 20 0 CGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC[NH+]1CCC1 ZINC000581021840 378276628 /nfs/dbraw/zinc/27/66/28/378276628.db2.gz AWQTWHNTMOUSGR-OWBHPGMISA-N 2 1 278.827 3.429 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000583558597 378330951 /nfs/dbraw/zinc/33/09/51/378330951.db2.gz VHZRNUMSVMTFPO-OLZOCXBDSA-N 2 1 298.833 3.342 20 0 CGADMP Cc1nccn1CC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000270641474 378378965 /nfs/dbraw/zinc/37/89/65/378378965.db2.gz JGRAZUZZGQOLNF-UHFFFAOYSA-N 2 1 287.382 3.243 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000270641474 378378972 /nfs/dbraw/zinc/37/89/72/378378972.db2.gz JGRAZUZZGQOLNF-UHFFFAOYSA-N 2 1 287.382 3.243 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000270641474 378378976 /nfs/dbraw/zinc/37/89/76/378378976.db2.gz JGRAZUZZGQOLNF-UHFFFAOYSA-N 2 1 287.382 3.243 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000584439977 378385439 /nfs/dbraw/zinc/38/54/39/378385439.db2.gz WITOWTMPMBNMJA-HUUCEWRRSA-N 2 1 299.462 3.345 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000584439977 378385443 /nfs/dbraw/zinc/38/54/43/378385443.db2.gz WITOWTMPMBNMJA-HUUCEWRRSA-N 2 1 299.462 3.345 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cscn2)c1 ZINC000271069007 378447738 /nfs/dbraw/zinc/44/77/38/378447738.db2.gz DRWFLSZWCGBWID-CYBMUJFWSA-N 2 1 289.448 3.446 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cscn2)c1 ZINC000271069007 378447743 /nfs/dbraw/zinc/44/77/43/378447743.db2.gz DRWFLSZWCGBWID-CYBMUJFWSA-N 2 1 289.448 3.446 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000346147149 378479678 /nfs/dbraw/zinc/47/96/78/378479678.db2.gz UYEYFDODTCQVII-UHFFFAOYSA-N 2 1 281.469 3.040 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCSC1 ZINC000346213374 378507048 /nfs/dbraw/zinc/50/70/48/378507048.db2.gz QSMMTDSQVUQQJV-MRXNPFEDSA-N 2 1 292.492 3.240 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1OCC1CC1 ZINC000346691119 378677412 /nfs/dbraw/zinc/67/74/12/378677412.db2.gz VIFMNITUVSRHST-KRWDZBQOSA-N 2 1 290.451 3.281 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OCC1CC1 ZINC000346691119 378677419 /nfs/dbraw/zinc/67/74/19/378677419.db2.gz VIFMNITUVSRHST-KRWDZBQOSA-N 2 1 290.451 3.281 20 0 CGADMP c1cncc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000346989908 378704099 /nfs/dbraw/zinc/70/40/99/378704099.db2.gz HLDGCXXBXQPEBH-KRWDZBQOSA-N 2 1 273.424 3.095 20 0 CGADMP c1cncc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000346989908 378704104 /nfs/dbraw/zinc/70/41/04/378704104.db2.gz HLDGCXXBXQPEBH-KRWDZBQOSA-N 2 1 273.424 3.095 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000638116196 378704649 /nfs/dbraw/zinc/70/46/49/378704649.db2.gz HXEKPOPDXCBWQV-GDBMZVCRSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3n2C)CC[N@H+]1C ZINC000638116196 378704651 /nfs/dbraw/zinc/70/46/51/378704651.db2.gz HXEKPOPDXCBWQV-GDBMZVCRSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3n2C)CC[NH+]1C ZINC000638116196 378704658 /nfs/dbraw/zinc/70/46/58/378704658.db2.gz HXEKPOPDXCBWQV-GDBMZVCRSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)CC[NH+]1C ZINC000638116196 378704663 /nfs/dbraw/zinc/70/46/63/378704663.db2.gz HXEKPOPDXCBWQV-GDBMZVCRSA-N 2 1 285.435 3.093 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000272802380 378706384 /nfs/dbraw/zinc/70/63/84/378706384.db2.gz BPPILFUDIBTFCP-AWEZNQCLSA-N 2 1 290.476 3.191 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000347923584 378730324 /nfs/dbraw/zinc/73/03/24/378730324.db2.gz OLIDAPHDOYAWDH-IRXDYDNUSA-N 3 1 289.467 3.175 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000347923584 378730328 /nfs/dbraw/zinc/73/03/28/378730328.db2.gz OLIDAPHDOYAWDH-IRXDYDNUSA-N 3 1 289.467 3.175 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000638335903 378772207 /nfs/dbraw/zinc/77/22/07/378772207.db2.gz XPWGIYXWUNCCNK-WBVHZDCISA-N 2 1 297.446 3.222 20 0 CGADMP CC(C)(C)[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000348089288 378786400 /nfs/dbraw/zinc/78/64/00/378786400.db2.gz SXWWWMQLVYLOPI-LSDHHAIUSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638409242 378794005 /nfs/dbraw/zinc/79/40/05/378794005.db2.gz WNPZZFHMZVOYFB-RQJABVFESA-N 2 1 288.426 3.376 20 0 CGADMP C[C@@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638409242 378794008 /nfs/dbraw/zinc/79/40/08/378794008.db2.gz WNPZZFHMZVOYFB-RQJABVFESA-N 2 1 288.426 3.376 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000348111400 378797560 /nfs/dbraw/zinc/79/75/60/378797560.db2.gz AWMDDMWPGCUJQH-GDBMZVCRSA-N 2 1 273.424 3.137 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000348129927 378803835 /nfs/dbraw/zinc/80/38/35/378803835.db2.gz ZFCUQGNPAVPECS-IRXDYDNUSA-N 2 1 260.425 3.417 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ncc(CN(C)C)s2)CC12CCC2 ZINC000348134599 378806656 /nfs/dbraw/zinc/80/66/56/378806656.db2.gz PTPRPIFRDRQRDJ-CYBMUJFWSA-N 2 1 293.480 3.217 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000348136456 378807704 /nfs/dbraw/zinc/80/77/04/378807704.db2.gz NNKYSSNMKKUKQB-ZQIUZPCESA-N 2 1 299.418 3.399 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274348435 378816547 /nfs/dbraw/zinc/81/65/47/378816547.db2.gz FSZAUGABOCIEMK-CQDXFGNVSA-N 2 1 272.436 3.285 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158043 378817322 /nfs/dbraw/zinc/81/73/22/378817322.db2.gz HAZIMZBZXKNERC-WMZOPIPTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158043 378817326 /nfs/dbraw/zinc/81/73/26/378817326.db2.gz HAZIMZBZXKNERC-WMZOPIPTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158043 378817334 /nfs/dbraw/zinc/81/73/34/378817334.db2.gz HAZIMZBZXKNERC-WMZOPIPTSA-N 2 1 288.435 3.014 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346834895 218030702 /nfs/dbraw/zinc/03/07/02/218030702.db2.gz NIXIBBVBEVWRIL-MAUKXSAKSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000348299941 378894685 /nfs/dbraw/zinc/89/46/85/378894685.db2.gz HEBQGBHCWXNVFF-MIGQKNRLSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000348299941 378894686 /nfs/dbraw/zinc/89/46/86/378894686.db2.gz HEBQGBHCWXNVFF-MIGQKNRLSA-N 2 1 294.389 3.283 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000347004336 218089789 /nfs/dbraw/zinc/08/97/89/218089789.db2.gz AUSLSEYFBCERJB-ZMSDIMECSA-N 2 1 260.425 3.239 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346993018 218082784 /nfs/dbraw/zinc/08/27/84/218082784.db2.gz UIDXGVJGRUYYLW-WMZOPIPTSA-N 2 1 272.436 3.040 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000346994083 218083604 /nfs/dbraw/zinc/08/36/04/218083604.db2.gz UYHHETYNHYNORU-GOSISDBHSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346994613 218084018 /nfs/dbraw/zinc/08/40/18/218084018.db2.gz UPJAPCDNUCGRGC-JKIFEVAISA-N 2 1 276.399 3.208 20 0 CGADMP CC1CCC([N@@H+](C[C@@H]2CCCO2)C[C@H]2CCC[NH2+]C2)CC1 ZINC000347001754 218087759 /nfs/dbraw/zinc/08/77/59/218087759.db2.gz HSNZXVYCSUDGQZ-IKJBURDNSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000276655766 378975882 /nfs/dbraw/zinc/97/58/82/378975882.db2.gz MZDKIMGJIVZFLT-LBPRGKRZSA-N 2 1 269.348 3.060 20 0 CGADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000348405160 378942992 /nfs/dbraw/zinc/94/29/92/378942992.db2.gz GCXDKEBKIACCQL-FRRDWIJNSA-N 2 1 281.469 3.071 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000275316545 378954828 /nfs/dbraw/zinc/95/48/28/378954828.db2.gz KMBJTNWECBDNFG-SFHVURJKSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC1(F)F ZINC000638969461 378961675 /nfs/dbraw/zinc/96/16/75/378961675.db2.gz HFLVKODYCHPHQD-XFMPKHEZSA-N 2 1 286.410 3.273 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000347099339 218120564 /nfs/dbraw/zinc/12/05/64/218120564.db2.gz KQQRBFNRVRDCOA-ZDUSSCGKSA-N 2 1 288.366 3.256 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300141282 296285567 /nfs/dbraw/zinc/28/55/67/296285567.db2.gz RLWCQXKPXVKLEP-QPSCCSFWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003314 379043174 /nfs/dbraw/zinc/04/31/74/379043174.db2.gz ASSAGBNZAPFWEE-IPYPFGDCSA-N 2 1 296.842 3.180 20 0 CGADMP CO[C@@H](C)C[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000348836706 379074775 /nfs/dbraw/zinc/07/47/75/379074775.db2.gz XHEDHQJERVMOOO-INIZCTEOSA-N 2 1 292.467 3.111 20 0 CGADMP CO[C@@H](C)C[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000348836706 379074784 /nfs/dbraw/zinc/07/47/84/379074784.db2.gz XHEDHQJERVMOOO-INIZCTEOSA-N 2 1 292.467 3.111 20 0 CGADMP CO[C@@H](C)C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000348836706 379074796 /nfs/dbraw/zinc/07/47/96/379074796.db2.gz XHEDHQJERVMOOO-INIZCTEOSA-N 2 1 292.467 3.111 20 0 CGADMP CO[C@@H](C)C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000348836706 379074805 /nfs/dbraw/zinc/07/48/05/379074805.db2.gz XHEDHQJERVMOOO-INIZCTEOSA-N 2 1 292.467 3.111 20 0 CGADMP CC[N@@H+](CCC[C@@H]1CCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000639171608 379093333 /nfs/dbraw/zinc/09/33/33/379093333.db2.gz XSKLWXGTCFAUSC-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP Cc1scc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC000639161343 379079975 /nfs/dbraw/zinc/07/99/75/379079975.db2.gz BNJYPXLLBRHXQS-XYPWUTKMSA-N 2 1 278.465 3.422 20 0 CGADMP Cc1scc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC000639161343 379079977 /nfs/dbraw/zinc/07/99/77/379079977.db2.gz BNJYPXLLBRHXQS-XYPWUTKMSA-N 2 1 278.465 3.422 20 0 CGADMP Cc1scc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000639161343 379079978 /nfs/dbraw/zinc/07/99/78/379079978.db2.gz BNJYPXLLBRHXQS-XYPWUTKMSA-N 2 1 278.465 3.422 20 0 CGADMP Cc1scc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000639161343 379079980 /nfs/dbraw/zinc/07/99/80/379079980.db2.gz BNJYPXLLBRHXQS-XYPWUTKMSA-N 2 1 278.465 3.422 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000277240481 379107904 /nfs/dbraw/zinc/10/79/04/379107904.db2.gz ZSKJMIOXEVZSRN-UKRRQHHQSA-N 2 1 294.389 3.427 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000277240481 379107912 /nfs/dbraw/zinc/10/79/12/379107912.db2.gz ZSKJMIOXEVZSRN-UKRRQHHQSA-N 2 1 294.389 3.427 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277303282 379124831 /nfs/dbraw/zinc/12/48/31/379124831.db2.gz UHFPZDIOCSFESL-SFHVURJKSA-N 2 1 274.452 3.344 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000277282608 379118500 /nfs/dbraw/zinc/11/85/00/379118500.db2.gz ADNNQVAPLJXQBM-HNNXBMFYSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000277282608 379118508 /nfs/dbraw/zinc/11/85/08/379118508.db2.gz ADNNQVAPLJXQBM-HNNXBMFYSA-N 2 1 264.388 3.050 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000349127528 379164983 /nfs/dbraw/zinc/16/49/83/379164983.db2.gz ISGSPDDQCAYSGI-HNNXBMFYSA-N 2 1 276.424 3.006 20 0 CGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000373209312 379243225 /nfs/dbraw/zinc/24/32/25/379243225.db2.gz BHSLJAADGUGTLM-CQSZACIVSA-N 2 1 282.815 3.095 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)ccc1F ZINC000277749232 379226168 /nfs/dbraw/zinc/22/61/68/379226168.db2.gz LLRSMUQIRODUJZ-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)ccc1F ZINC000277749232 379226176 /nfs/dbraw/zinc/22/61/76/379226176.db2.gz LLRSMUQIRODUJZ-UHFFFAOYSA-N 2 1 275.371 3.161 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349387747 379263048 /nfs/dbraw/zinc/26/30/48/379263048.db2.gz WFGXERXKBPXZOT-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349387747 379263061 /nfs/dbraw/zinc/26/30/61/379263061.db2.gz WFGXERXKBPXZOT-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000277910771 379263798 /nfs/dbraw/zinc/26/37/98/379263798.db2.gz XHCQPHOXSOVBCM-DLBZAZTESA-N 2 1 269.392 3.117 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H]3C)CCCC2)CC1 ZINC000350093568 284773354 /nfs/dbraw/zinc/77/33/54/284773354.db2.gz GAGPDESQAQJCBA-NVXWUHKLSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000639360358 379318103 /nfs/dbraw/zinc/31/81/03/379318103.db2.gz WADMSYDJNCGLRD-AHCXZYCDSA-N 2 1 272.436 3.000 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1sccc1Cl ZINC000278353138 379359536 /nfs/dbraw/zinc/35/95/36/379359536.db2.gz IMXSDDBHNFDWQV-UHFFFAOYSA-N 2 1 269.801 3.086 20 0 CGADMP C[C@H](CC1CCOCC1)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000349969356 379465929 /nfs/dbraw/zinc/46/59/29/379465929.db2.gz ICGJWBGUJBISFT-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H](CC1CCOCC1)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000349969356 379465933 /nfs/dbraw/zinc/46/59/33/379465933.db2.gz ICGJWBGUJBISFT-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000569889216 322259639 /nfs/dbraw/zinc/25/96/39/322259639.db2.gz PSUFLYXZMJRHRH-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1C=CCCCCC1 ZINC000569944504 322261401 /nfs/dbraw/zinc/26/14/01/322261401.db2.gz MKDGQEXIOOZJMH-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1C=CCCCCC1 ZINC000569944504 322261402 /nfs/dbraw/zinc/26/14/02/322261402.db2.gz MKDGQEXIOOZJMH-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2F)[C@H](C)C1 ZINC000280154375 379622794 /nfs/dbraw/zinc/62/27/94/379622794.db2.gz DXDCEJGBVDCRJZ-RHSMWYFYSA-N 2 1 278.415 3.078 20 0 CGADMP Fc1ccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c2c1 ZINC000377387886 379669460 /nfs/dbraw/zinc/66/94/60/379669460.db2.gz WPVDXVICKQKNAL-UONOGXRCSA-N 2 1 285.366 3.413 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000280815548 379798193 /nfs/dbraw/zinc/79/81/93/379798193.db2.gz MQISVUWMNVEFET-CSFVBSKPSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC[N@H+]1C ZINC000280815548 379798199 /nfs/dbraw/zinc/79/81/99/379798199.db2.gz MQISVUWMNVEFET-CSFVBSKPSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000352534854 379846136 /nfs/dbraw/zinc/84/61/36/379846136.db2.gz JVSRJYOBCNQWQI-WMLDXEAASA-N 2 1 276.399 3.005 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000352541395 379849106 /nfs/dbraw/zinc/84/91/06/379849106.db2.gz XJFKRWAPRSIMOE-QDLOVBKTSA-N 2 1 262.372 3.042 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCC1 ZINC000379043505 379859277 /nfs/dbraw/zinc/85/92/77/379859277.db2.gz CDLPSWYMTLWPTQ-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)nc1 ZINC000640533042 379819485 /nfs/dbraw/zinc/81/94/85/379819485.db2.gz AMMMTHFKZCXKAQ-UHFFFAOYSA-N 2 1 289.467 3.342 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000352607841 379875295 /nfs/dbraw/zinc/87/52/95/379875295.db2.gz AQTKYMQDLPPCNW-QGZVFWFLSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000352607841 379875303 /nfs/dbraw/zinc/87/53/03/379875303.db2.gz AQTKYMQDLPPCNW-QGZVFWFLSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(F)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000352607841 379875307 /nfs/dbraw/zinc/87/53/07/379875307.db2.gz AQTKYMQDLPPCNW-QGZVFWFLSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(F)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000352607841 379875312 /nfs/dbraw/zinc/87/53/12/379875312.db2.gz AQTKYMQDLPPCNW-QGZVFWFLSA-N 2 1 278.415 3.440 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000388103935 379881147 /nfs/dbraw/zinc/88/11/47/379881147.db2.gz FXFASJYUXIUVMX-WBVHZDCISA-N 2 1 260.425 3.378 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C)C[C@H]1C ZINC000352617329 379881205 /nfs/dbraw/zinc/88/12/05/379881205.db2.gz AWQPHSGEXQSFGP-PBHICJAKSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C)C[C@H]1C ZINC000352617329 379881208 /nfs/dbraw/zinc/88/12/08/379881208.db2.gz AWQPHSGEXQSFGP-PBHICJAKSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C)C[C@H]1C ZINC000352617329 379881210 /nfs/dbraw/zinc/88/12/10/379881210.db2.gz AWQPHSGEXQSFGP-PBHICJAKSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C)C[C@H]1C ZINC000352617329 379881213 /nfs/dbraw/zinc/88/12/13/379881213.db2.gz AWQPHSGEXQSFGP-PBHICJAKSA-N 2 1 278.415 3.439 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC(F)(F)F ZINC000402586090 379969240 /nfs/dbraw/zinc/96/92/40/379969240.db2.gz WJVKKQZRSDTMMD-GRYCIOLGSA-N 2 1 266.351 3.037 20 0 CGADMP CC(C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813446 379976616 /nfs/dbraw/zinc/97/66/16/379976616.db2.gz BGLIRUFDEOWRRU-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP CC(C)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813446 379976621 /nfs/dbraw/zinc/97/66/21/379976621.db2.gz BGLIRUFDEOWRRU-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP CC(C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813446 379976626 /nfs/dbraw/zinc/97/66/26/379976626.db2.gz BGLIRUFDEOWRRU-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC3CCCCCC3)[C@H]2C1 ZINC000571327982 322295867 /nfs/dbraw/zinc/29/58/67/322295867.db2.gz GNDJLGZVEYOATI-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC3CCCCCC3)[C@H]2C1 ZINC000571327982 322295869 /nfs/dbraw/zinc/29/58/69/322295869.db2.gz GNDJLGZVEYOATI-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC3CCCCCC3)[C@H]2C1 ZINC000571327982 322295871 /nfs/dbraw/zinc/29/58/71/322295871.db2.gz GNDJLGZVEYOATI-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC3CCCCCC3)[C@H]2C1 ZINC000571327982 322295873 /nfs/dbraw/zinc/29/58/73/322295873.db2.gz GNDJLGZVEYOATI-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282543929 379941721 /nfs/dbraw/zinc/94/17/21/379941721.db2.gz WOISHXONTJSVDT-MRXNPFEDSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282543929 379941726 /nfs/dbraw/zinc/94/17/26/379941726.db2.gz WOISHXONTJSVDT-MRXNPFEDSA-N 2 1 260.425 3.285 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352766011 379948582 /nfs/dbraw/zinc/94/85/82/379948582.db2.gz UNXMFIRUGWQESO-QWHCGFSZSA-N 2 1 281.469 3.121 20 0 CGADMP CC(C)(C)c1cc[nH+]c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000641299924 379986091 /nfs/dbraw/zinc/98/60/91/379986091.db2.gz YAWOJBVCFIYYNN-GJZGRUSLSA-N 2 1 273.424 3.418 20 0 CGADMP CC(C)(C)c1cc[nH+]c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000641299924 379986099 /nfs/dbraw/zinc/98/60/99/379986099.db2.gz YAWOJBVCFIYYNN-GJZGRUSLSA-N 2 1 273.424 3.418 20 0 CGADMP CC1(C)SC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282851670 380001246 /nfs/dbraw/zinc/00/12/46/380001246.db2.gz PODKHKUMRZIKON-MRXNPFEDSA-N 2 1 290.476 3.135 20 0 CGADMP CSc1ccc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000352853221 380006422 /nfs/dbraw/zinc/00/64/22/380006422.db2.gz LYIWCZSCVQDAJU-UHFFFAOYSA-N 2 1 284.494 3.436 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC2)CC1 ZINC000284175822 380135504 /nfs/dbraw/zinc/13/55/04/380135504.db2.gz QRQOMQHNDMSXQF-UHFFFAOYSA-N 2 1 258.409 3.182 20 0 CGADMP CC(CC[NH+]1CCC[C@@H]1C)CC[N@H+]1CCC[C@@H]1C ZINC000411293089 380138990 /nfs/dbraw/zinc/13/89/90/380138990.db2.gz GDPAOLNZKNNVHK-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CS[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C(C)(C)C ZINC000353157971 380145442 /nfs/dbraw/zinc/14/54/42/380145442.db2.gz YJPXQPFOJZAPAW-AWEZNQCLSA-N 2 1 281.469 3.015 20 0 CGADMP CC(CC[NH+]1CC[C@](C)(F)C1)CC[N@H+]1CC[C@](C)(F)C1 ZINC000411416212 380146636 /nfs/dbraw/zinc/14/66/36/380146636.db2.gz CPBTXRREEDSKQO-HOTGVXAUSA-N 2 1 288.426 3.271 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000641799652 380112062 /nfs/dbraw/zinc/11/20/62/380112062.db2.gz OPNYRJFMMPDALK-CJNGLKHVSA-N 2 1 299.418 3.067 20 0 CGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000641802956 380113645 /nfs/dbraw/zinc/11/36/45/380113645.db2.gz QCQJLDVMWGGMGM-KBPBESRZSA-N 2 1 289.810 3.104 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000284153328 380130538 /nfs/dbraw/zinc/13/05/38/380130538.db2.gz DRJNYLJWMJGNPD-KRWDZBQOSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000286237514 380180921 /nfs/dbraw/zinc/18/09/21/380180921.db2.gz TVPPSWDPTZHDGC-IAGOWNOFSA-N 2 1 289.467 3.409 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000286237514 380180932 /nfs/dbraw/zinc/18/09/32/380180932.db2.gz TVPPSWDPTZHDGC-IAGOWNOFSA-N 2 1 289.467 3.409 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1C[C@@H]1C ZINC000414098637 380189574 /nfs/dbraw/zinc/18/95/74/380189574.db2.gz QIKSIHJOOYXORG-ULQDDVLXSA-N 2 1 294.483 3.046 20 0 CGADMP Clc1ccc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643032952 380206985 /nfs/dbraw/zinc/20/69/85/380206985.db2.gz JODZKSXZEBCRIZ-NHYWBVRUSA-N 2 1 287.794 3.076 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000414329128 380214627 /nfs/dbraw/zinc/21/46/27/380214627.db2.gz IBIANBUDUSQERA-XUWVNRHRSA-N 2 1 294.483 3.185 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)n1 ZINC000643496633 380321180 /nfs/dbraw/zinc/32/11/80/380321180.db2.gz UKAJNBAQUXALKA-CYBMUJFWSA-N 2 1 261.413 3.011 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000354106979 380326315 /nfs/dbraw/zinc/32/63/15/380326315.db2.gz NJTSQWWLXUBKDF-SZMVWBNQSA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000354106979 380326319 /nfs/dbraw/zinc/32/63/19/380326319.db2.gz NJTSQWWLXUBKDF-SZMVWBNQSA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000354106979 380326320 /nfs/dbraw/zinc/32/63/20/380326320.db2.gz NJTSQWWLXUBKDF-SZMVWBNQSA-N 2 1 272.436 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2F)C[C@@H]1C ZINC000354222457 380368314 /nfs/dbraw/zinc/36/83/14/380368314.db2.gz JLLQPUWYMMRQPS-LSDHHAIUSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2F)C[C@@H]1C ZINC000354222457 380368318 /nfs/dbraw/zinc/36/83/18/380368318.db2.gz JLLQPUWYMMRQPS-LSDHHAIUSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2F)C[C@@H]1C ZINC000354222457 380368323 /nfs/dbraw/zinc/36/83/23/380368323.db2.gz JLLQPUWYMMRQPS-LSDHHAIUSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](CCc2ccc(F)cc2)C2CC2)CC[NH2+]1 ZINC000414696499 380378884 /nfs/dbraw/zinc/37/88/84/380378884.db2.gz PKZULEWPTZNBIY-HOCLYGCPSA-N 2 1 290.426 3.221 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771730 380396503 /nfs/dbraw/zinc/39/65/03/380396503.db2.gz AHSXEFHNCOHBDD-LSDHHAIUSA-N 2 1 284.403 3.254 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414708125 380381811 /nfs/dbraw/zinc/38/18/11/380381811.db2.gz OUOKBFXCJVUKNB-NVXWUHKLSA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414708123 380382095 /nfs/dbraw/zinc/38/20/95/380382095.db2.gz OUOKBFXCJVUKNB-DOTOQJQBSA-N 2 1 290.451 3.294 20 0 CGADMP [NH3+]CCC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000414718553 380387643 /nfs/dbraw/zinc/38/76/43/380387643.db2.gz ZHZMPFUHCWDKAC-GOSISDBHSA-N 2 1 266.388 3.135 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC[NH2+]1 ZINC000414740808 380391242 /nfs/dbraw/zinc/39/12/42/380391242.db2.gz KFFYGMLDSPJBEB-HZSPNIEDSA-N 2 1 294.389 3.142 20 0 CGADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528691 380344997 /nfs/dbraw/zinc/34/49/97/380344997.db2.gz NCBKSPUCRLIJCV-RYUDHWBXSA-N 2 1 252.427 3.185 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000643529112 380346398 /nfs/dbraw/zinc/34/63/98/380346398.db2.gz VIFBWBINBCOMBO-YJBOKZPZSA-N 2 1 268.404 3.297 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)C1CCCC1 ZINC000643543556 380357518 /nfs/dbraw/zinc/35/75/18/380357518.db2.gz ZQYNEPKJNUWZCO-HOTGVXAUSA-N 2 1 280.362 3.059 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000414668182 380360165 /nfs/dbraw/zinc/36/01/65/380360165.db2.gz ZNVCOKZBMLPIHD-ULQDDVLXSA-N 2 1 260.425 3.095 20 0 CGADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000414830704 380440510 /nfs/dbraw/zinc/44/05/10/380440510.db2.gz BJVCNSOGYTYQJY-WMLDXEAASA-N 2 1 260.425 3.287 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CCCCC1 ZINC000414834445 380442172 /nfs/dbraw/zinc/44/21/72/380442172.db2.gz BYEULPLTBSYOAX-UHFFFAOYSA-N 2 1 288.435 3.227 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1coc2ccccc12)C1CCCCC1 ZINC000414855579 380457859 /nfs/dbraw/zinc/45/78/59/380457859.db2.gz XCDXKRXSEGJZTG-MRXNPFEDSA-N 2 1 272.392 3.430 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)C1CCCCC1 ZINC000414836327 380443816 /nfs/dbraw/zinc/44/38/16/380443816.db2.gz IMDWJPMZZSABFG-HNNXBMFYSA-N 2 1 298.377 3.285 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414841162 380447686 /nfs/dbraw/zinc/44/76/86/380447686.db2.gz NBAJRVIEKOAKHS-BBRMVZONSA-N 2 1 266.404 3.110 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414842196 380448100 /nfs/dbraw/zinc/44/81/00/380448100.db2.gz NZVJAJHGROZGKZ-JQWIXIFHSA-N 2 1 266.351 3.215 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414843368 380449595 /nfs/dbraw/zinc/44/95/95/380449595.db2.gz BTYIXPLOOVAKDM-QWRGUYRKSA-N 2 1 287.234 3.471 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414767729 380397421 /nfs/dbraw/zinc/39/74/21/380397421.db2.gz KIKNVDIBGGGDCC-CALCHBBNSA-N 2 1 296.414 3.378 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414773148 380399098 /nfs/dbraw/zinc/39/90/98/380399098.db2.gz DAWSAKCGSXNCSK-IAGOWNOFSA-N 2 1 272.436 3.125 20 0 CGADMP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780854 380400552 /nfs/dbraw/zinc/40/05/52/380400552.db2.gz MBGKBPKTWJNYAF-QWHCGFSZSA-N 2 1 296.817 3.301 20 0 CGADMP Fc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777892 380400684 /nfs/dbraw/zinc/40/06/84/380400684.db2.gz IOJWFNXUNARZTR-CHWSQXEVSA-N 2 1 296.817 3.301 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414787231 380404596 /nfs/dbraw/zinc/40/45/96/380404596.db2.gz BZWNIEJJXGEPJH-GOSISDBHSA-N 2 1 298.430 3.435 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](C/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000644784136 380511184 /nfs/dbraw/zinc/51/11/84/380511184.db2.gz BAZDTUJDKNIRSY-BAHPRDJBSA-N 2 1 290.838 3.381 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](C/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000644784136 380511188 /nfs/dbraw/zinc/51/11/88/380511188.db2.gz BAZDTUJDKNIRSY-BAHPRDJBSA-N 2 1 290.838 3.381 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000644784136 380511193 /nfs/dbraw/zinc/51/11/93/380511193.db2.gz BAZDTUJDKNIRSY-BAHPRDJBSA-N 2 1 290.838 3.381 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000644784136 380511195 /nfs/dbraw/zinc/51/11/95/380511195.db2.gz BAZDTUJDKNIRSY-BAHPRDJBSA-N 2 1 290.838 3.381 20 0 CGADMP C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414859886 380460643 /nfs/dbraw/zinc/46/06/43/380460643.db2.gz UXDACAQTVXZMJS-GHMZBOCLSA-N 2 1 287.234 3.471 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c(F)c2)CCCCCC1 ZINC000414861327 380461679 /nfs/dbraw/zinc/46/16/79/380461679.db2.gz RXOAWBSAWPHGEC-UHFFFAOYSA-N 2 1 268.351 3.106 20 0 CGADMP c1ccc(CC(Cc2ccccc2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414867868 380466795 /nfs/dbraw/zinc/46/67/95/380466795.db2.gz OVPMIVHUZSKFRF-LJQANCHMSA-N 2 1 294.442 3.182 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414890939 380476208 /nfs/dbraw/zinc/47/62/08/380476208.db2.gz VTZONDFOVVMCTJ-BRWVUGGUSA-N 2 1 258.409 3.054 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cc(F)ccc1F ZINC000268818272 190436830 /nfs/dbraw/zinc/43/68/30/190436830.db2.gz OKNKJKIFXTWPNB-HNNXBMFYSA-N 2 1 279.334 3.211 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@@H](C)CC[NH+](C)C ZINC000645140166 380592699 /nfs/dbraw/zinc/59/26/99/380592699.db2.gz NHIMWDKZAYUBJA-ZDUSSCGKSA-N 2 1 257.381 3.295 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417886868 380687596 /nfs/dbraw/zinc/68/75/96/380687596.db2.gz ZKSWDBKWSGDRRM-SZMVWBNQSA-N 2 1 272.436 3.112 20 0 CGADMP CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355741695 380765682 /nfs/dbraw/zinc/76/56/82/380765682.db2.gz LCAXCOJBFINUBO-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355741695 380765687 /nfs/dbraw/zinc/76/56/87/380765687.db2.gz LCAXCOJBFINUBO-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355741695 380765692 /nfs/dbraw/zinc/76/56/92/380765692.db2.gz LCAXCOJBFINUBO-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP c1cc2cccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)c2[nH]1 ZINC000355609413 380726790 /nfs/dbraw/zinc/72/67/90/380726790.db2.gz RGCHIDJGAOVMBO-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2c(F)cccc2F)C[C@H]1C ZINC000645811791 380739373 /nfs/dbraw/zinc/73/93/73/380739373.db2.gz KCAVDHXUVFPZRM-KGLIPLIRSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2c(F)cccc2F)C[C@H]1C ZINC000645811791 380739377 /nfs/dbraw/zinc/73/93/77/380739377.db2.gz KCAVDHXUVFPZRM-KGLIPLIRSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2c(F)cccc2F)C[C@H]1C ZINC000645811791 380739379 /nfs/dbraw/zinc/73/93/79/380739379.db2.gz KCAVDHXUVFPZRM-KGLIPLIRSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2c(F)cccc2F)C[C@H]1C ZINC000645811791 380739384 /nfs/dbraw/zinc/73/93/84/380739384.db2.gz KCAVDHXUVFPZRM-KGLIPLIRSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000645830188 380745864 /nfs/dbraw/zinc/74/58/64/380745864.db2.gz GSKHHBRXDADVQH-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000645830188 380745866 /nfs/dbraw/zinc/74/58/66/380745866.db2.gz GSKHHBRXDADVQH-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000645830188 380745869 /nfs/dbraw/zinc/74/58/69/380745869.db2.gz GSKHHBRXDADVQH-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP CCSCC[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000355770942 380772193 /nfs/dbraw/zinc/77/21/93/380772193.db2.gz DPRPVBHKLXAPIY-UHFFFAOYSA-N 2 1 280.481 3.370 20 0 CGADMP C[N@H+]1CCC[C@H]1CCNC1(c2ccccc2Cl)CC1 ZINC000645978239 380789294 /nfs/dbraw/zinc/78/92/94/380789294.db2.gz ZBMWHXZQLACKIW-ZDUSSCGKSA-N 2 1 278.827 3.403 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1 ZINC000356829005 380888256 /nfs/dbraw/zinc/88/82/56/380888256.db2.gz CRJUHUFFHTXYDN-MAUKXSAKSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358142980 381291455 /nfs/dbraw/zinc/29/14/55/381291455.db2.gz SMVYHLSRVCVCFQ-NYCLONFESA-N 2 1 270.420 3.136 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358390112 381307369 /nfs/dbraw/zinc/30/73/69/381307369.db2.gz WZODRVKCAQZSGU-GMLZMKKNSA-N 2 1 288.410 3.275 20 0 CGADMP COCC[NH+]1CCC([NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000359976886 381396801 /nfs/dbraw/zinc/39/68/01/381396801.db2.gz QAXLOQCQMSITJC-UHFFFAOYSA-N 2 1 290.451 3.010 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000359994331 381402349 /nfs/dbraw/zinc/40/23/49/381402349.db2.gz MOYDCVGNYKLMSH-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000334856728 207194337 /nfs/dbraw/zinc/19/43/37/207194337.db2.gz JYOFEFGKOWVUMH-BXKDBHETSA-N 2 1 273.207 3.081 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000361349161 381711226 /nfs/dbraw/zinc/71/12/26/381711226.db2.gz RYXBUDVKWIRZCV-ROUUACIJSA-N 2 1 284.447 3.350 20 0 CGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361407868 381735257 /nfs/dbraw/zinc/73/52/57/381735257.db2.gz IAVGSNULLYCNBE-GOSISDBHSA-N 2 1 299.418 3.180 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc2ncsc2c1 ZINC000362572328 382063049 /nfs/dbraw/zinc/06/30/49/382063049.db2.gz GZXPAKOCDSVBTM-TZMCWYRMSA-N 2 1 289.448 3.431 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CS1 ZINC000365209823 382283108 /nfs/dbraw/zinc/28/31/08/382283108.db2.gz YZBVATVDKWQVRT-KMVIYXDESA-N 2 1 282.497 3.121 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CS1 ZINC000365209823 382283113 /nfs/dbraw/zinc/28/31/13/382283113.db2.gz YZBVATVDKWQVRT-KMVIYXDESA-N 2 1 282.497 3.121 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000364669220 382275170 /nfs/dbraw/zinc/27/51/70/382275170.db2.gz DSSWSKLTZZXSKM-WWDZGPRUSA-N 2 1 294.483 3.332 20 0 CGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251090136 542345181 /nfs/dbraw/zinc/34/51/81/542345181.db2.gz IEZMBBYJSLXUJN-RQJABVFESA-N 2 1 290.373 3.324 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412677 542349714 /nfs/dbraw/zinc/34/97/14/542349714.db2.gz AQIVOTDAHBWTMS-QZTJIDSGSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000252412698 542349844 /nfs/dbraw/zinc/34/98/44/542349844.db2.gz AVDQIMNXCFRGRU-ZWKOTPCHSA-N 2 1 272.436 3.267 20 0 CGADMP c1ccc(CCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252703240 542350971 /nfs/dbraw/zinc/35/09/71/542350971.db2.gz MBDZQJDRLZVXAV-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000252674532 542351063 /nfs/dbraw/zinc/35/10/63/542351063.db2.gz RUOIUHCAOYUBMG-IRXDYDNUSA-N 2 1 258.409 3.020 20 0 CGADMP CSc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000280928408 195033473 /nfs/dbraw/zinc/03/34/73/195033473.db2.gz UVLAVEOWJFNCEV-JKSUJKDBSA-N 2 1 290.476 3.167 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H](CC[NH3+])C1 ZINC000335363862 208279513 /nfs/dbraw/zinc/27/95/13/208279513.db2.gz XNZOHPDQRBDTRZ-AWEZNQCLSA-N 2 1 269.392 3.108 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000335359421 208269988 /nfs/dbraw/zinc/26/99/88/208269988.db2.gz ISGVOWWVRVSSSI-KBPBESRZSA-N 2 1 269.392 3.107 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2)C[C@H]1C ZINC000353749631 220301033 /nfs/dbraw/zinc/30/10/33/220301033.db2.gz WFVNDZAVXXBYPI-CJNGLKHVSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2)C[C@H]1C ZINC000353749631 220301037 /nfs/dbraw/zinc/30/10/37/220301037.db2.gz WFVNDZAVXXBYPI-CJNGLKHVSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(F)c2)C[C@H]1C ZINC000353749631 220301040 /nfs/dbraw/zinc/30/10/40/220301040.db2.gz WFVNDZAVXXBYPI-CJNGLKHVSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2)C[C@H]1C ZINC000353749631 220301044 /nfs/dbraw/zinc/30/10/44/220301044.db2.gz WFVNDZAVXXBYPI-CJNGLKHVSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000353749269 220302633 /nfs/dbraw/zinc/30/26/33/220302633.db2.gz DQBNOSLKWYLYLI-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000353749269 220302634 /nfs/dbraw/zinc/30/26/34/220302634.db2.gz DQBNOSLKWYLYLI-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000353749269 220302635 /nfs/dbraw/zinc/30/26/35/220302635.db2.gz DQBNOSLKWYLYLI-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP Cc1ccncc1CCC[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000289341336 197303560 /nfs/dbraw/zinc/30/35/60/197303560.db2.gz WDOBTNKVGCSGIV-QGZVFWFLSA-N 2 1 289.467 3.177 20 0 CGADMP Cc1ccccc1[C@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000276742059 542375874 /nfs/dbraw/zinc/37/58/74/542375874.db2.gz ZHHYGJUNLAPRIT-QGZVFWFLSA-N 2 1 269.392 3.012 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423260664 533116076 /nfs/dbraw/zinc/11/60/76/533116076.db2.gz HZBCFUURRDIPIW-CXAGYDPISA-N 2 1 276.424 3.253 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000366434687 533165624 /nfs/dbraw/zinc/16/56/24/533165624.db2.gz QKDLEWJRTFAEIK-OOHWJJMZSA-N 2 1 288.435 3.363 20 0 CGADMP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339067426 542486176 /nfs/dbraw/zinc/48/61/76/542486176.db2.gz HRJPMFOVOPRUHX-SJORKVTESA-N 2 1 288.410 3.074 20 0 CGADMP CCOCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000339069852 542486325 /nfs/dbraw/zinc/48/63/25/542486325.db2.gz XWNTXYBIFSTMOD-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]1C1CC1)C2 ZINC000348088226 542514391 /nfs/dbraw/zinc/51/43/91/542514391.db2.gz QUKHOGJXJOYAJA-RTBURBONSA-N 2 1 284.447 3.213 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CC[C@@H]1C1CC1)C2 ZINC000348088226 542514395 /nfs/dbraw/zinc/51/43/95/542514395.db2.gz QUKHOGJXJOYAJA-RTBURBONSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(OC(F)F)cc1 ZINC000424338209 533519588 /nfs/dbraw/zinc/51/95/88/533519588.db2.gz UEVCKQAJCNMFKH-LERXQTSPSA-N 2 1 284.350 3.209 20 0 CGADMP CSCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915787 533580440 /nfs/dbraw/zinc/58/04/40/533580440.db2.gz RKPIMAVXRQFABG-DOTOQJQBSA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915787 533580443 /nfs/dbraw/zinc/58/04/43/533580443.db2.gz RKPIMAVXRQFABG-DOTOQJQBSA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915787 533580446 /nfs/dbraw/zinc/58/04/46/533580446.db2.gz RKPIMAVXRQFABG-DOTOQJQBSA-N 2 1 292.492 3.334 20 0 CGADMP CSCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915787 533580447 /nfs/dbraw/zinc/58/04/47/533580447.db2.gz RKPIMAVXRQFABG-DOTOQJQBSA-N 2 1 292.492 3.334 20 0 CGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1Cl ZINC000086595841 533555039 /nfs/dbraw/zinc/55/50/39/533555039.db2.gz HITNFLUONGYMOJ-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1Cl ZINC000086595841 533555041 /nfs/dbraw/zinc/55/50/41/533555041.db2.gz HITNFLUONGYMOJ-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000449131765 533670320 /nfs/dbraw/zinc/67/03/20/533670320.db2.gz PIORZKIMBIIHPB-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000449131765 533670327 /nfs/dbraw/zinc/67/03/27/533670327.db2.gz PIORZKIMBIIHPB-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000414911015 542639822 /nfs/dbraw/zinc/63/98/22/542639822.db2.gz DFSBMSDNQLFBOX-DTWKUNHWSA-N 2 1 279.236 3.414 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089428383 392227556 /nfs/dbraw/zinc/22/75/56/392227556.db2.gz NDJOTPNDDJRAAC-KYJSFNMBSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000089428383 392227561 /nfs/dbraw/zinc/22/75/61/392227561.db2.gz NDJOTPNDDJRAAC-KYJSFNMBSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000089428383 392227564 /nfs/dbraw/zinc/22/75/64/392227564.db2.gz NDJOTPNDDJRAAC-KYJSFNMBSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000090972684 392229947 /nfs/dbraw/zinc/22/99/47/392229947.db2.gz ICQMBGSSRMWXLY-VKJFTORMSA-N 2 1 286.463 3.110 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000106868328 392311770 /nfs/dbraw/zinc/31/17/70/392311770.db2.gz VLBJEEBTNZNTEA-DJIMGWMZSA-N 2 1 258.409 3.007 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)oc1C ZINC000281963442 392264124 /nfs/dbraw/zinc/26/41/24/392264124.db2.gz BCBMXKNEFYTQCC-OCCSQVGLSA-N 2 1 262.397 3.031 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)oc1C ZINC000281963442 392264131 /nfs/dbraw/zinc/26/41/31/392264131.db2.gz BCBMXKNEFYTQCC-OCCSQVGLSA-N 2 1 262.397 3.031 20 0 CGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000361260449 392269708 /nfs/dbraw/zinc/26/97/08/392269708.db2.gz BXWZYTWOTHKUHJ-JKSUJKDBSA-N 2 1 284.513 3.468 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(COC)CCC2)CC1 ZINC000361298147 392277075 /nfs/dbraw/zinc/27/70/75/392277075.db2.gz VXEQNQAOUVKJRL-UHFFFAOYSA-N 2 1 296.499 3.247 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000105442832 392289259 /nfs/dbraw/zinc/28/92/59/392289259.db2.gz JOUODDUPAWTKPH-VFADXPBXSA-N 2 1 299.418 3.139 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000361877620 392350093 /nfs/dbraw/zinc/35/00/93/392350093.db2.gz QKLFMIAALWHUAX-HNAYVOBHSA-N 2 1 295.430 3.178 20 0 CGADMP CC(C)(C)c1ncc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000109459420 392356183 /nfs/dbraw/zinc/35/61/83/392356183.db2.gz NXMIVHUKTMQWRE-QWHCGFSZSA-N 2 1 293.480 3.157 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000109459420 392356187 /nfs/dbraw/zinc/35/61/87/392356187.db2.gz NXMIVHUKTMQWRE-QWHCGFSZSA-N 2 1 293.480 3.157 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000109459420 392356193 /nfs/dbraw/zinc/35/61/93/392356193.db2.gz NXMIVHUKTMQWRE-QWHCGFSZSA-N 2 1 293.480 3.157 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249376810 131121698 /nfs/dbraw/zinc/12/16/98/131121698.db2.gz LKYWXHUFCHKFAR-KSSFIOAISA-N 2 1 288.435 3.004 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCS[C@H](c2ccccc2)C1 ZINC000361968761 392379396 /nfs/dbraw/zinc/37/93/96/392379396.db2.gz PTLGCHRBJCQGTO-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCS[C@H](c2ccccc2)C1 ZINC000361968761 392379403 /nfs/dbraw/zinc/37/94/03/392379403.db2.gz PTLGCHRBJCQGTO-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361968761 392379407 /nfs/dbraw/zinc/37/94/07/392379407.db2.gz PTLGCHRBJCQGTO-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361968761 392379413 /nfs/dbraw/zinc/37/94/13/392379413.db2.gz PTLGCHRBJCQGTO-SJORKVTESA-N 2 1 290.476 3.261 20 0 CGADMP CC[C@@H](C[NH2+]C1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC000362927530 392424016 /nfs/dbraw/zinc/42/40/16/392424016.db2.gz IMUOKAQXCXUGBU-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000127552605 392447244 /nfs/dbraw/zinc/44/72/44/392447244.db2.gz WSJDTJVGWLAXGS-VQHPVUNQSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@H](CN[C@@H]1CCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000151671936 392486715 /nfs/dbraw/zinc/48/67/15/392486715.db2.gz BKGGOUQDPOPSRY-CRAIPNDOSA-N 2 1 288.435 3.147 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccn1 ZINC000152380128 392505480 /nfs/dbraw/zinc/50/54/80/392505480.db2.gz SDKTWKOOOVTCRL-QAPCUYQASA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000152380128 392505486 /nfs/dbraw/zinc/50/54/86/392505486.db2.gz SDKTWKOOOVTCRL-QAPCUYQASA-N 2 1 287.451 3.243 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000152374303 392505705 /nfs/dbraw/zinc/50/57/05/392505705.db2.gz QJAWAPGYCKNUDF-YPMHNXCESA-N 2 1 293.480 3.149 20 0 CGADMP COC[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000158592831 392572249 /nfs/dbraw/zinc/57/22/49/392572249.db2.gz CEGZTNKKJXZFHH-BBWFWOEESA-N 2 1 284.488 3.005 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000300414073 392582694 /nfs/dbraw/zinc/58/26/94/392582694.db2.gz JBKIKWKNJFFAPS-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)CCC2 ZINC000163265159 392604493 /nfs/dbraw/zinc/60/44/93/392604493.db2.gz WBWHLHBOHQYVNR-STQMWFEESA-N 2 1 293.480 3.014 20 0 CGADMP Cc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)c2ccccc2[nH+]1 ZINC000374348409 392675344 /nfs/dbraw/zinc/67/53/44/392675344.db2.gz FZGSWWDABQUWND-AWEZNQCLSA-N 2 1 292.386 3.271 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000372992009 392654319 /nfs/dbraw/zinc/65/43/19/392654319.db2.gz HRLSHMFOIWXXSL-HOCLYGCPSA-N 2 1 276.424 3.172 20 0 CGADMP CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506477745 392727034 /nfs/dbraw/zinc/72/70/34/392727034.db2.gz CCMOBYMIRSNQJC-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506477745 392727037 /nfs/dbraw/zinc/72/70/37/392727037.db2.gz CCMOBYMIRSNQJC-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506477745 392727040 /nfs/dbraw/zinc/72/70/40/392727040.db2.gz CCMOBYMIRSNQJC-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647479319 392734984 /nfs/dbraw/zinc/73/49/84/392734984.db2.gz CBWJVBURKATOEM-CADBVGFASA-N 2 1 284.447 3.254 20 0 CGADMP CC[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000647497442 392740981 /nfs/dbraw/zinc/74/09/81/392740981.db2.gz HXXRIEBYMKUOCW-AQAIFZCFSA-N 2 1 280.362 3.037 20 0 CGADMP CC[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000647497442 392740983 /nfs/dbraw/zinc/74/09/83/392740983.db2.gz HXXRIEBYMKUOCW-AQAIFZCFSA-N 2 1 280.362 3.037 20 0 CGADMP c1cc2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)ccc2cn1 ZINC000647499629 392744646 /nfs/dbraw/zinc/74/46/46/392744646.db2.gz ASEJZQQYXAXUHO-UHFFFAOYSA-N 2 1 295.430 3.199 20 0 CGADMP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000647515884 392748125 /nfs/dbraw/zinc/74/81/25/392748125.db2.gz VKKYUMZTYWOVHF-DOTOQJQBSA-N 2 1 288.435 3.222 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000647531362 392753568 /nfs/dbraw/zinc/75/35/68/392753568.db2.gz QRJZSQZPEITMMW-UHFFFAOYSA-N 2 1 289.810 3.201 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647544071 392760652 /nfs/dbraw/zinc/76/06/52/392760652.db2.gz VZPNYFMIKKRBLH-HUUCEWRRSA-N 2 1 278.465 3.268 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647544069 392760880 /nfs/dbraw/zinc/76/08/80/392760880.db2.gz VZPNYFMIKKRBLH-CABCVRRESA-N 2 1 278.465 3.268 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344822 392695597 /nfs/dbraw/zinc/69/55/97/392695597.db2.gz ZVVWJNVSWPJEOR-QGTPRVQTSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1ccc(C2([NH2+]C3CC[NH+](C)CC3)CCC2)cc1 ZINC000647351695 392701564 /nfs/dbraw/zinc/70/15/64/392701564.db2.gz NILIUZCPZRZMPW-UHFFFAOYSA-N 2 1 258.409 3.058 20 0 CGADMP Cc1cccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000181149908 392721224 /nfs/dbraw/zinc/72/12/24/392721224.db2.gz UEMUIDJGZGYYAS-MOPGFXCFSA-N 2 1 286.463 3.344 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1cccs1 ZINC000375897333 392839454 /nfs/dbraw/zinc/83/94/54/392839454.db2.gz GUKDYBMPDMIGPG-LLLHUVSDSA-N 2 1 292.492 3.389 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC(C(F)(F)F)CC2)C[C@@]1(C)C[NH3+] ZINC000335349635 392789455 /nfs/dbraw/zinc/78/94/55/392789455.db2.gz SUJCTEPVIWNQBJ-IKWCTNDRSA-N 2 1 278.362 3.024 20 0 CGADMP c1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2o1 ZINC000375661471 392800904 /nfs/dbraw/zinc/80/09/04/392800904.db2.gz VKIFLAMWIVYCBC-HZPDHXFCSA-N 2 1 270.376 3.149 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647853435 392814854 /nfs/dbraw/zinc/81/48/54/392814854.db2.gz NLORTNJHKXVTDE-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647853435 392814859 /nfs/dbraw/zinc/81/48/59/392814859.db2.gz NLORTNJHKXVTDE-CQSZACIVSA-N 2 1 286.341 3.061 20 0 CGADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000510753993 392814956 /nfs/dbraw/zinc/81/49/56/392814956.db2.gz MVZCNOZPDGCIBM-BZSNNMDCSA-N 2 1 276.468 3.419 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000510753993 392814959 /nfs/dbraw/zinc/81/49/59/392814959.db2.gz MVZCNOZPDGCIBM-BZSNNMDCSA-N 2 1 276.468 3.419 20 0 CGADMP CC(C)(C)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647884488 392824651 /nfs/dbraw/zinc/82/46/51/392824651.db2.gz VVMXNTSTQGNCKN-INIZCTEOSA-N 2 1 260.425 3.144 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000647903559 392828984 /nfs/dbraw/zinc/82/89/84/392828984.db2.gz LWJHSXRWEPTYMB-CVEARBPZSA-N 2 1 278.465 3.145 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647902928 392829093 /nfs/dbraw/zinc/82/90/93/392829093.db2.gz DPQCAEZVTDWYJT-AEFFLSMTSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H](c1ccccc1Cl)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925257 392834131 /nfs/dbraw/zinc/83/41/31/392834131.db2.gz AEEOUIDBZGRIMT-NSHDSACASA-N 2 1 252.789 3.214 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1scnc1C1CC1 ZINC000487318837 542711542 /nfs/dbraw/zinc/71/15/42/542711542.db2.gz NPBVMHNVPWTMPN-UHFFFAOYSA-N 2 1 290.436 3.095 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]C2CC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000648068285 392900246 /nfs/dbraw/zinc/90/02/46/392900246.db2.gz OPFKMLORQZIIJV-AEFFLSMTSA-N 2 1 284.447 3.254 20 0 CGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647990198 392859157 /nfs/dbraw/zinc/85/91/57/392859157.db2.gz FAFROCONCXZGIY-VYDXJSESSA-N 2 1 288.435 3.078 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000192932863 392864540 /nfs/dbraw/zinc/86/45/40/392864540.db2.gz HHICHKGCXGAWBL-GZBFAFLISA-N 2 1 262.397 3.119 20 0 CGADMP Cc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000338785004 392929156 /nfs/dbraw/zinc/92/91/56/392929156.db2.gz BDWJSPOCFRSDRT-OKILXGFUSA-N 2 1 269.392 3.072 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000514090888 542733927 /nfs/dbraw/zinc/73/39/27/542733927.db2.gz WYRTVDWODKGWSJ-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000339413425 392954922 /nfs/dbraw/zinc/95/49/22/392954922.db2.gz NBGFLQLPWQPQKN-WBVHZDCISA-N 2 1 260.425 3.097 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C[C@@H]1c1ccccc1 ZINC000340376333 392972533 /nfs/dbraw/zinc/97/25/33/392972533.db2.gz ZGDXMKYWGCWRJJ-HYVNUMGLSA-N 2 1 290.476 3.165 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C[C@@H]1c1ccccc1 ZINC000340376333 392972536 /nfs/dbraw/zinc/97/25/36/392972536.db2.gz ZGDXMKYWGCWRJJ-HYVNUMGLSA-N 2 1 290.476 3.165 20 0 CGADMP COCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340214325 392967858 /nfs/dbraw/zinc/96/78/58/392967858.db2.gz UVVOTQSLGGPKAU-QZTJIDSGSA-N 2 1 290.451 3.228 20 0 CGADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340214325 392967866 /nfs/dbraw/zinc/96/78/66/392967866.db2.gz UVVOTQSLGGPKAU-QZTJIDSGSA-N 2 1 290.451 3.228 20 0 CGADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340312104 392970340 /nfs/dbraw/zinc/97/03/40/392970340.db2.gz MWRADOYIQDSIPH-OALUTQOASA-N 2 1 295.430 3.315 20 0 CGADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340312104 392970347 /nfs/dbraw/zinc/97/03/47/392970347.db2.gz MWRADOYIQDSIPH-OALUTQOASA-N 2 1 295.430 3.315 20 0 CGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340396797 392971967 /nfs/dbraw/zinc/97/19/67/392971967.db2.gz WSUCYTJQXHBWDY-IRXDYDNUSA-N 2 1 290.451 3.084 20 0 CGADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340396797 392971980 /nfs/dbraw/zinc/97/19/80/392971980.db2.gz WSUCYTJQXHBWDY-IRXDYDNUSA-N 2 1 290.451 3.084 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[C@H]1c1ccccc1 ZINC000340387803 392972262 /nfs/dbraw/zinc/97/22/62/392972262.db2.gz BWRSCESXKQOINR-NCOADZHNSA-N 2 1 276.399 3.302 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[C@H]1c1ccccc1 ZINC000340387803 392972266 /nfs/dbraw/zinc/97/22/66/392972266.db2.gz BWRSCESXKQOINR-NCOADZHNSA-N 2 1 276.399 3.302 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)CCO1 ZINC000648418485 393008689 /nfs/dbraw/zinc/00/86/89/393008689.db2.gz ZALFBHHDGXUCQI-KURKYZTESA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000648424188 393010945 /nfs/dbraw/zinc/01/09/45/393010945.db2.gz CUDWIILSQUQYKQ-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[C@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000545949846 393019376 /nfs/dbraw/zinc/01/93/76/393019376.db2.gz WVSCQRZMXKLXDG-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1ccc(-c2cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c2)cc1 ZINC000415007042 393091855 /nfs/dbraw/zinc/09/18/55/393091855.db2.gz LBJRCGQZDZBXAT-CABCVRRESA-N 2 1 268.404 3.487 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415009846 393093109 /nfs/dbraw/zinc/09/31/09/393093109.db2.gz XRZYMTLXZJSFDW-HOCLYGCPSA-N 2 1 296.405 3.151 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)CC[N@@H+]1C ZINC000648464996 393034973 /nfs/dbraw/zinc/03/49/73/393034973.db2.gz NIXFMHXHIPWRIB-JLSDUUJJSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)CC[N@H+]1C ZINC000648464996 393034976 /nfs/dbraw/zinc/03/49/76/393034976.db2.gz NIXFMHXHIPWRIB-JLSDUUJJSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000414180381 393042123 /nfs/dbraw/zinc/04/21/23/393042123.db2.gz AZZLRWFZSQOJOF-ZLVKTETGSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000467543477 393105736 /nfs/dbraw/zinc/10/57/36/393105736.db2.gz OQODSUQDFVTDGJ-ZBFHGGJFSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)C[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000414949176 393059222 /nfs/dbraw/zinc/05/92/22/393059222.db2.gz YZXMXDLHZGQALM-KGLIPLIRSA-N 2 1 262.441 3.100 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000414986141 393080761 /nfs/dbraw/zinc/08/07/61/393080761.db2.gz XJGXVPNOWUGRJD-KRWDZBQOSA-N 2 1 268.404 3.489 20 0 CGADMP CSC1(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000347924566 393110345 /nfs/dbraw/zinc/11/03/45/393110345.db2.gz QEEIQAFDBRGBCV-CQSZACIVSA-N 2 1 270.486 3.126 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052296 393114746 /nfs/dbraw/zinc/11/47/46/393114746.db2.gz NCSSDVKRKNKJAY-WMZOPIPTSA-N 2 1 272.436 3.267 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415056527 393116780 /nfs/dbraw/zinc/11/67/80/393116780.db2.gz SDNIAGLZFUDXHM-HYVNUMGLSA-N 2 1 260.425 3.014 20 0 CGADMP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000348249336 393118687 /nfs/dbraw/zinc/11/86/87/393118687.db2.gz WPPKFIHLIQUWHF-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000348249336 393118694 /nfs/dbraw/zinc/11/86/94/393118694.db2.gz WPPKFIHLIQUWHF-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)c1cccc(Cl)c1 ZINC000415059479 393119421 /nfs/dbraw/zinc/11/94/21/393119421.db2.gz YDPHMMKPBZHYRC-SMDDNHRTSA-N 2 1 268.832 3.407 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415058266 393119890 /nfs/dbraw/zinc/11/98/90/393119890.db2.gz VHRLQAOOVKFJDI-RDJZCZTQSA-N 2 1 284.403 3.397 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415059725 393122010 /nfs/dbraw/zinc/12/20/10/393122010.db2.gz YQRXQBOUMQUEDR-CRAIPNDOSA-N 2 1 290.451 3.282 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415060179 393122368 /nfs/dbraw/zinc/12/23/68/393122368.db2.gz YIPWLEWNWYJFDV-UKRRQHHQSA-N 2 1 293.480 3.231 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415060179 393122370 /nfs/dbraw/zinc/12/23/70/393122370.db2.gz YIPWLEWNWYJFDV-UKRRQHHQSA-N 2 1 293.480 3.231 20 0 CGADMP C[C@@H](CCC1CCCC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415065483 393123284 /nfs/dbraw/zinc/12/32/84/393123284.db2.gz MWQNILGTZSWMHM-BBRMVZONSA-N 2 1 252.446 3.452 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415073065 393129435 /nfs/dbraw/zinc/12/94/35/393129435.db2.gz YYNYPXFTASOQRI-MSOLQXFVSA-N 2 1 274.452 3.423 20 0 CGADMP CCCOc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415073642 393130326 /nfs/dbraw/zinc/13/03/26/393130326.db2.gz ZQYLNQQODOTXRX-KRWDZBQOSA-N 2 1 276.424 3.083 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+]CC[NH2+]C(C)(C)C ZINC000415083871 393135760 /nfs/dbraw/zinc/13/57/60/393135760.db2.gz FXQCJOGEWGRXLR-UHFFFAOYSA-N 2 1 262.441 3.250 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000261542689 393141244 /nfs/dbraw/zinc/14/12/44/393141244.db2.gz CHJKFBLHJFWVDD-CYBMUJFWSA-N 2 1 275.223 3.456 20 0 CGADMP c1ccc(C(CC[NH2+][C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000415090715 393143551 /nfs/dbraw/zinc/14/35/51/393143551.db2.gz ZJDWAWJGKUJKHF-GOSISDBHSA-N 2 1 280.415 3.160 20 0 CGADMP C[C@@H]([C@H](C)[NH2+]CCc1c[nH+]cn1C)C1CCCCC1 ZINC000471764434 393301375 /nfs/dbraw/zinc/30/13/75/393301375.db2.gz XQBOEVKOBGVHNU-KBPBESRZSA-N 2 1 263.429 3.157 20 0 CGADMP CCSCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272381748 393261437 /nfs/dbraw/zinc/26/14/37/393261437.db2.gz BWPDUEMDMBRZIO-WBVHZDCISA-N 2 1 292.492 3.240 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000471009112 393270607 /nfs/dbraw/zinc/27/06/07/393270607.db2.gz UTGODEUDMTVBGB-CEXWTWQISA-N 2 1 282.431 3.159 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000471009112 393270612 /nfs/dbraw/zinc/27/06/12/393270612.db2.gz UTGODEUDMTVBGB-CEXWTWQISA-N 2 1 282.431 3.159 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000471009112 393270619 /nfs/dbraw/zinc/27/06/19/393270619.db2.gz UTGODEUDMTVBGB-CEXWTWQISA-N 2 1 282.431 3.159 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000474717543 393343982 /nfs/dbraw/zinc/34/39/82/393343982.db2.gz XRMPGSIVNOUBAC-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000474717543 393343987 /nfs/dbraw/zinc/34/39/87/393343987.db2.gz XRMPGSIVNOUBAC-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417880166 393355996 /nfs/dbraw/zinc/35/59/96/393355996.db2.gz QFEMSHKDIASHJQ-SZMVWBNQSA-N 2 1 272.436 3.112 20 0 CGADMP CSC1(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000356181926 393370713 /nfs/dbraw/zinc/37/07/13/393370713.db2.gz CLVYFHUGSCCLRT-OAHLLOKOSA-N 2 1 284.513 3.374 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000420295481 393451525 /nfs/dbraw/zinc/45/15/25/393451525.db2.gz APRDRUJRPDQIMY-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420301565 393455624 /nfs/dbraw/zinc/45/56/24/393455624.db2.gz LMEFZDCRWVXQBD-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C(C)C)C2CCC2)cc1 ZINC000420310473 393459796 /nfs/dbraw/zinc/45/97/96/393459796.db2.gz VAHZLUIAPFYLPK-OAHLLOKOSA-N 2 1 276.424 3.000 20 0 CGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313238 393461899 /nfs/dbraw/zinc/46/18/99/393461899.db2.gz XTXGDKPHDMGVDW-OALUTQOASA-N 2 1 286.463 3.331 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420316102 393463896 /nfs/dbraw/zinc/46/38/96/393463896.db2.gz MLHDQWBTJTWGKS-QAPCUYQASA-N 2 1 288.435 3.222 20 0 CGADMP C[C@H]1CC(CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)C1 ZINC000429023839 393466433 /nfs/dbraw/zinc/46/64/33/393466433.db2.gz WFSWUDXUOQLXDU-JFIYKMOQSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H]1CC(CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H](C)C1 ZINC000429023839 393466438 /nfs/dbraw/zinc/46/64/38/393466438.db2.gz WFSWUDXUOQLXDU-JFIYKMOQSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H]1CC(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H](C)C1 ZINC000429023839 393466447 /nfs/dbraw/zinc/46/64/47/393466447.db2.gz WFSWUDXUOQLXDU-JFIYKMOQSA-N 2 1 278.484 3.476 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420324413 393467668 /nfs/dbraw/zinc/46/76/68/393467668.db2.gz VGTOKMQOGURUGH-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328911 393470171 /nfs/dbraw/zinc/47/01/71/393470171.db2.gz NLIRBTNHNXRGSJ-ILXRZTDVSA-N 2 1 276.399 3.208 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334228 393470927 /nfs/dbraw/zinc/47/09/27/393470927.db2.gz UASLQVUTELOOCP-CVEARBPZSA-N 2 1 294.389 3.446 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCc1ccccc1)C1CCCCC1 ZINC000420363912 393474544 /nfs/dbraw/zinc/47/45/44/393474544.db2.gz QBDDLQFMSHHGET-KRWDZBQOSA-N 2 1 260.425 3.116 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)C1CCCCC1 ZINC000420365626 393474935 /nfs/dbraw/zinc/47/49/35/393474935.db2.gz SJVZVERRMKKYMN-MRXNPFEDSA-N 2 1 296.842 3.216 20 0 CGADMP CCc1ccc(CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429534051 393475600 /nfs/dbraw/zinc/47/56/00/393475600.db2.gz YJTIPTSIJSYHBH-GOSISDBHSA-N 2 1 274.452 3.208 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000429527600 393475729 /nfs/dbraw/zinc/47/57/29/393475729.db2.gz MVEMSXQFVBXXGN-NVXWUHKLSA-N 2 1 294.483 3.188 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000429527600 393475735 /nfs/dbraw/zinc/47/57/35/393475735.db2.gz MVEMSXQFVBXXGN-NVXWUHKLSA-N 2 1 294.483 3.188 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420373221 393476752 /nfs/dbraw/zinc/47/67/52/393476752.db2.gz MGSDKYRPTJUXMZ-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)CCC[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249423 393411817 /nfs/dbraw/zinc/41/18/17/393411817.db2.gz ZMYMDCQKIXWYKQ-MSOLQXFVSA-N 2 1 274.452 3.358 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(C(C)C)C2)[C@@H](C)C1 ZINC000488448974 393518503 /nfs/dbraw/zinc/51/85/03/393518503.db2.gz MMLVHIDJOXFPKS-FCCDEINASA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H](CC[NH2+]C[C@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000488462049 393523666 /nfs/dbraw/zinc/52/36/66/393523666.db2.gz LDGCRAKJDKHREC-HLLBOEOZSA-N 2 1 260.425 3.143 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000358336039 393524069 /nfs/dbraw/zinc/52/40/69/393524069.db2.gz BLENGVRJKKHEMO-ZACQAIPSSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000430567410 393576481 /nfs/dbraw/zinc/57/64/81/393576481.db2.gz FQLTVFIBYNIPKA-HOTGVXAUSA-N 2 1 264.388 3.118 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666770346 542814216 /nfs/dbraw/zinc/81/42/16/542814216.db2.gz VVORZKNXOQXMQC-IXDOHACOSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000666801107 542816757 /nfs/dbraw/zinc/81/67/57/542816757.db2.gz VFHRWERBRYBPIJ-SWLSCSKDSA-N 2 1 266.454 3.176 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OC(F)F)cc1C ZINC000666855533 542820527 /nfs/dbraw/zinc/82/05/27/542820527.db2.gz YMHRJWLQHNTGGD-CQSZACIVSA-N 2 1 298.377 3.137 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000360944785 393620685 /nfs/dbraw/zinc/62/06/85/393620685.db2.gz BGQQYFZVUNQKCH-GOSISDBHSA-N 2 1 285.435 3.357 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@@H]1OC ZINC000422934414 393646401 /nfs/dbraw/zinc/64/64/01/393646401.db2.gz FSUORNIUQXQCQG-VQHPVUNQSA-N 2 1 288.435 3.315 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259900 393655808 /nfs/dbraw/zinc/65/58/08/393655808.db2.gz FYQRPSQVOJLVNZ-QGTPRVQTSA-N 2 1 290.451 3.260 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423318331 393661049 /nfs/dbraw/zinc/66/10/49/393661049.db2.gz KVRZWMBZIVWVSU-SJORKVTESA-N 2 1 288.435 3.351 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccoc1 ZINC000423385635 393665154 /nfs/dbraw/zinc/66/51/54/393665154.db2.gz GUJSJLOATIVAHX-BPUTZDHNSA-N 2 1 264.413 3.345 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423445222 393667454 /nfs/dbraw/zinc/66/74/54/393667454.db2.gz MMHMVRYKXBXNBV-XEZPLFJOSA-N 2 1 276.424 3.349 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CCS2 ZINC000423442910 393667780 /nfs/dbraw/zinc/66/77/80/393667780.db2.gz KHACRVGBSANTRB-OUCADQQQSA-N 2 1 264.438 3.166 20 0 CGADMP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058530 393740428 /nfs/dbraw/zinc/74/04/28/393740428.db2.gz AHXRHPFAHFQGKT-QGZVFWFLSA-N 2 1 290.451 3.133 20 0 CGADMP Cc1ccc2[nH+]ccc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2c1 ZINC000443511675 393760354 /nfs/dbraw/zinc/76/03/54/393760354.db2.gz QSXCYOJNAQNARF-ZIAGYGMSSA-N 2 1 269.392 3.072 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000438095140 393720595 /nfs/dbraw/zinc/72/05/95/393720595.db2.gz OZLWGDRHJNPZLO-FRRDWIJNSA-N 2 1 278.362 3.037 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000502299619 393872982 /nfs/dbraw/zinc/87/29/82/393872982.db2.gz IVJKKIHQQGOBIW-RDBSUJKOSA-N 2 1 274.399 3.132 20 0 CGADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCC1 ZINC000502691463 393881615 /nfs/dbraw/zinc/88/16/15/393881615.db2.gz JDIFCWILYSZHAL-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000502691463 393881620 /nfs/dbraw/zinc/88/16/20/393881620.db2.gz JDIFCWILYSZHAL-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000502691463 393881623 /nfs/dbraw/zinc/88/16/23/393881623.db2.gz JDIFCWILYSZHAL-HNNXBMFYSA-N 2 1 252.446 3.371 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCOC)[NH+](C)C ZINC000502697727 393883059 /nfs/dbraw/zinc/88/30/59/393883059.db2.gz JFKIHTFEYOHYSE-ZACQAIPSSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc2cccnc12 ZINC000449561466 393903985 /nfs/dbraw/zinc/90/39/85/393903985.db2.gz VJAKAPZZMMMTEY-AYHJJNSGSA-N 2 1 295.430 3.258 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450473448 393997787 /nfs/dbraw/zinc/99/77/87/393997787.db2.gz NOWYAHBNVGCPMV-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450473448 393997792 /nfs/dbraw/zinc/99/77/92/393997792.db2.gz NOWYAHBNVGCPMV-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450473448 393997794 /nfs/dbraw/zinc/99/77/94/393997794.db2.gz NOWYAHBNVGCPMV-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497096 394005996 /nfs/dbraw/zinc/00/59/96/394005996.db2.gz CBRRCXODUBGSIM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497096 394006000 /nfs/dbraw/zinc/00/60/00/394006000.db2.gz CBRRCXODUBGSIM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497096 394006001 /nfs/dbraw/zinc/00/60/01/394006001.db2.gz CBRRCXODUBGSIM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453602523 394255778 /nfs/dbraw/zinc/25/57/78/394255778.db2.gz WIRMVIYPMPKJDS-HNNXBMFYSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000453213568 394206844 /nfs/dbraw/zinc/20/68/44/394206844.db2.gz CKHPEJMNFAVNBS-NYTXWWLZSA-N 2 1 290.476 3.194 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453604333 394256731 /nfs/dbraw/zinc/25/67/31/394256731.db2.gz ZGSBHXITCSBFMU-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453394932 394230290 /nfs/dbraw/zinc/23/02/90/394230290.db2.gz HLDXHDWSMSPFJZ-CQSZACIVSA-N 2 1 275.440 3.169 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)CC2 ZINC000453400367 394233551 /nfs/dbraw/zinc/23/35/51/394233551.db2.gz LVHHUZFIEOLKTP-GOSISDBHSA-N 2 1 288.435 3.147 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453407449 394236632 /nfs/dbraw/zinc/23/66/32/394236632.db2.gz RURSMTNPQMZIHL-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccn1 ZINC000453408757 394237504 /nfs/dbraw/zinc/23/75/04/394237504.db2.gz SZFPLEBWQPLRNO-MRXNPFEDSA-N 2 1 275.440 3.387 20 0 CGADMP CC(C)CO[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1(C)C ZINC000453410037 394237542 /nfs/dbraw/zinc/23/75/42/394237542.db2.gz UPIJSOWJYVIAON-SJORKVTESA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453444306 394246330 /nfs/dbraw/zinc/24/63/30/394246330.db2.gz ZEDCAEJSMSEPCZ-INIZCTEOSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000453616063 394259552 /nfs/dbraw/zinc/25/95/52/394259552.db2.gz RKCVAHHRPVGFAM-CVEARBPZSA-N 2 1 261.413 3.062 20 0 CGADMP CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000453616066 394259647 /nfs/dbraw/zinc/25/96/47/394259647.db2.gz RKCVAHHRPVGFAM-HZPDHXFCSA-N 2 1 261.413 3.062 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000453597923 394253143 /nfs/dbraw/zinc/25/31/43/394253143.db2.gz OSYBERUKTGHRHL-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)n1C ZINC000667960320 542951058 /nfs/dbraw/zinc/95/10/58/542951058.db2.gz JVQYTAMUNNGUQJ-MQNTZWLQSA-N 2 1 281.403 3.406 20 0 CGADMP Cc1ncc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1C ZINC000668143132 542975708 /nfs/dbraw/zinc/97/57/08/542975708.db2.gz NDEPTWBIRDHOHJ-OTWHNJEPSA-N 2 1 295.430 3.497 20 0 CGADMP COC(C)(C)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000346530039 292056436 /nfs/dbraw/zinc/05/64/36/292056436.db2.gz QMWUBDIWTWVQDN-CABCVRRESA-N 2 1 282.472 3.044 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784532 543061477 /nfs/dbraw/zinc/06/14/77/543061477.db2.gz DXUOQMYLNFELIF-OKZBNKHCSA-N 2 1 294.483 3.021 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)[C@@H](C)C1 ZINC000671715988 543180400 /nfs/dbraw/zinc/18/04/00/543180400.db2.gz YVIAENZFEYLNKP-XJKSGUPXSA-N 2 1 272.392 3.253 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)[C@H]2CCC[C@H]21 ZINC000671753571 543185659 /nfs/dbraw/zinc/18/56/59/543185659.db2.gz XQDQFSYZZMHIIO-TWMKSMIVSA-N 2 1 294.483 3.044 20 0 CGADMP CCC(C)(C)[NH+](C)CCOCC[N@H+](C)C(C)(C)CC ZINC000674232669 543275556 /nfs/dbraw/zinc/27/55/56/543275556.db2.gz FJQJHSJVFMJNIA-UHFFFAOYSA-N 2 1 272.477 3.244 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2C)CC[C@H]1[NH3+] ZINC000300417010 397673355 /nfs/dbraw/zinc/67/33/55/397673355.db2.gz GMWBAAMVCKYQDZ-SWLSCSKDSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C)CC[C@H]1[NH3+] ZINC000300417010 397673357 /nfs/dbraw/zinc/67/33/57/397673357.db2.gz GMWBAAMVCKYQDZ-SWLSCSKDSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC2CCC1CC2 ZINC000394253561 397694773 /nfs/dbraw/zinc/69/47/73/397694773.db2.gz FNCPVAKWGPBVDC-SBJYJKLKSA-N 2 1 276.468 3.416 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000394657974 397695578 /nfs/dbraw/zinc/69/55/78/397695578.db2.gz MYZAOCVNQQSBLL-STQMWFEESA-N 2 1 262.388 3.117 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+]CCCn1cc[nH+]c1C ZINC000675754144 543360469 /nfs/dbraw/zinc/36/04/69/543360469.db2.gz MWFGAKOEAADLTM-CQSZACIVSA-N 2 1 277.437 3.254 20 0 CGADMP CC1CCC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000677879691 543470775 /nfs/dbraw/zinc/47/07/75/543470775.db2.gz SZYRGYCMHLFSQR-LEOMRAHMSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)C(C)C ZINC000678217783 543494962 /nfs/dbraw/zinc/49/49/62/543494962.db2.gz NBJHVCOFGUNKOD-INIZCTEOSA-N 2 1 292.467 3.493 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC000678278177 543509175 /nfs/dbraw/zinc/50/91/75/543509175.db2.gz NUEDWFLJNDVZBK-WMLDXEAASA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000678278177 543509178 /nfs/dbraw/zinc/50/91/78/543509178.db2.gz NUEDWFLJNDVZBK-WMLDXEAASA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2C2CC2)CC[NH+]1C ZINC000678278177 543509180 /nfs/dbraw/zinc/50/91/80/543509180.db2.gz NUEDWFLJNDVZBK-WMLDXEAASA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C2CC2)CC[NH+]1C ZINC000678278177 543509182 /nfs/dbraw/zinc/50/91/82/543509182.db2.gz NUEDWFLJNDVZBK-WMLDXEAASA-N 2 1 272.436 3.479 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678281810 543510974 /nfs/dbraw/zinc/51/09/74/543510974.db2.gz GGCHQJQSSYBDLC-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678281810 543510976 /nfs/dbraw/zinc/51/09/76/543510976.db2.gz GGCHQJQSSYBDLC-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000678270560 543506498 /nfs/dbraw/zinc/50/64/98/543506498.db2.gz QIQBOMGKTJSWDM-JKSUJKDBSA-N 2 1 290.451 3.105 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340325 543516099 /nfs/dbraw/zinc/51/60/99/543516099.db2.gz SXYRXZPSDLSSAU-PKOBYXMFSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340325 543516100 /nfs/dbraw/zinc/51/61/00/543516100.db2.gz SXYRXZPSDLSSAU-PKOBYXMFSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340325 543516101 /nfs/dbraw/zinc/51/61/01/543516101.db2.gz SXYRXZPSDLSSAU-PKOBYXMFSA-N 2 1 284.447 3.480 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000678585541 543537671 /nfs/dbraw/zinc/53/76/71/543537671.db2.gz ZXUUTSOTZZMVCN-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678593565 543539485 /nfs/dbraw/zinc/53/94/85/543539485.db2.gz JRVVWBWTISDDOV-UHOSZYNNSA-N 2 1 286.463 3.451 20 0 CGADMP CCO[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000157598228 286200387 /nfs/dbraw/zinc/20/03/87/286200387.db2.gz MHAMEZADVAJWRI-OIISXLGYSA-N 2 1 282.472 3.044 20 0 CGADMP CCS[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459416546 286720482 /nfs/dbraw/zinc/72/04/82/286720482.db2.gz CJZFQRUXEMNHKR-CVEARBPZSA-N 2 1 282.497 3.267 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310977601 298378517 /nfs/dbraw/zinc/37/85/17/298378517.db2.gz IHSUXRKNLGZJMG-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[NH+](C)C ZINC000562020020 289668083 /nfs/dbraw/zinc/66/80/83/289668083.db2.gz QYAZODZERQZEQP-XHSDSOJGSA-N 2 1 252.446 3.131 20 0 CGADMP CCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109900 287031767 /nfs/dbraw/zinc/03/17/67/287031767.db2.gz NUTPHTWJYJIAJN-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109900 287031768 /nfs/dbraw/zinc/03/17/68/287031768.db2.gz NUTPHTWJYJIAJN-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109900 287031772 /nfs/dbraw/zinc/03/17/72/287031772.db2.gz NUTPHTWJYJIAJN-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000076001170 287030819 /nfs/dbraw/zinc/03/08/19/287030819.db2.gz YQULQVGAWMCEKN-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CC(C)CSCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090882019 165246192 /nfs/dbraw/zinc/24/61/92/165246192.db2.gz SJDHJVRMWOWRFK-QLFBSQMISA-N 2 1 272.502 3.084 20 0 CGADMP Clc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000091439320 165266334 /nfs/dbraw/zinc/26/63/34/165266334.db2.gz YFWDSKQJGWBFDE-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP COc1ccccc1[C@@H]([NH2+]CCC[NH+](C)C)C1CCCC1 ZINC000091262478 287106907 /nfs/dbraw/zinc/10/69/07/287106907.db2.gz VSNZARFDCGZOLR-SFHVURJKSA-N 2 1 290.451 3.468 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2[nH]ccc21 ZINC000093660210 165333523 /nfs/dbraw/zinc/33/35/23/165333523.db2.gz ZGINGAZJYNLNNP-INIZCTEOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2[nH]ccc21 ZINC000093660210 165333526 /nfs/dbraw/zinc/33/35/26/165333526.db2.gz ZGINGAZJYNLNNP-INIZCTEOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2[nH]ccc21 ZINC000093660210 165333531 /nfs/dbraw/zinc/33/35/31/165333531.db2.gz ZGINGAZJYNLNNP-INIZCTEOSA-N 2 1 285.435 3.474 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522168 165352050 /nfs/dbraw/zinc/35/20/50/165352050.db2.gz MWPVAGNCZMTLJW-DYVFJYSZSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522163 165352174 /nfs/dbraw/zinc/35/21/74/165352174.db2.gz OMJYIKSLDIKNNW-GUYCJALGSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccoc1)C[NH+]1CCCCC1 ZINC000094869107 287123338 /nfs/dbraw/zinc/12/33/38/287123338.db2.gz MLUFDKQVLZSEFP-ZIAGYGMSSA-N 2 1 250.386 3.052 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2cccc(C)c2)CC1 ZINC000109788563 287129555 /nfs/dbraw/zinc/12/95/55/287129555.db2.gz MEBVREBKVRSAOO-UHFFFAOYSA-N 2 1 290.451 3.180 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000120722146 287185972 /nfs/dbraw/zinc/18/59/72/287185972.db2.gz ZTQWMMAKAOOYPJ-AYBZRNKSSA-N 2 1 286.463 3.426 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000004763272 170013313 /nfs/dbraw/zinc/01/33/13/170013313.db2.gz CVDKDHSFYXZZJZ-MRXNPFEDSA-N 2 1 290.451 3.439 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000124258848 287231387 /nfs/dbraw/zinc/23/13/87/287231387.db2.gz NMHNEKGPZUGOHN-UHFFFAOYSA-N 2 1 268.832 3.470 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000020189662 171055922 /nfs/dbraw/zinc/05/59/22/171055922.db2.gz QGEXIGVFZNWGNM-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000020524027 171237074 /nfs/dbraw/zinc/23/70/74/171237074.db2.gz CEQJZKFRHZADRW-WODVXLOZSA-N 2 1 250.411 3.024 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000246900766 287268403 /nfs/dbraw/zinc/26/84/03/287268403.db2.gz LKAMFEHDMJCDOT-YYIAUSFCSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](Cc1ccc2ncccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285486615 196299422 /nfs/dbraw/zinc/29/94/22/196299422.db2.gz LTFGTYHDLUYWGV-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1ccc2ncccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285486615 196299424 /nfs/dbraw/zinc/29/94/24/196299424.db2.gz LTFGTYHDLUYWGV-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1ccc2ncccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285486615 196299425 /nfs/dbraw/zinc/29/94/25/196299425.db2.gz LTFGTYHDLUYWGV-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOC2CCC2)C1 ZINC000367739918 287275458 /nfs/dbraw/zinc/27/54/58/287275458.db2.gz YGCHRBPMAXAYCK-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOC2CCC2)C1 ZINC000367739918 287275459 /nfs/dbraw/zinc/27/54/59/287275459.db2.gz YGCHRBPMAXAYCK-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000367739918 287275460 /nfs/dbraw/zinc/27/54/60/287275460.db2.gz YGCHRBPMAXAYCK-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000367739918 287275461 /nfs/dbraw/zinc/27/54/61/287275461.db2.gz YGCHRBPMAXAYCK-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]CC3CCCC3)CC2)cc1 ZINC000037252327 173064554 /nfs/dbraw/zinc/06/45/54/173064554.db2.gz RHFFXQMJZPCYAN-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000038041780 174043690 /nfs/dbraw/zinc/04/36/90/174043690.db2.gz LIRXHUIHAYIRMG-UONOGXRCSA-N 2 1 250.386 3.052 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000127375783 287286786 /nfs/dbraw/zinc/28/67/86/287286786.db2.gz AXIDKRACUKNSNI-OOHWJJMZSA-N 2 1 260.425 3.253 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000127375783 287286789 /nfs/dbraw/zinc/28/67/89/287286789.db2.gz AXIDKRACUKNSNI-OOHWJJMZSA-N 2 1 260.425 3.253 20 0 CGADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000038076077 174086492 /nfs/dbraw/zinc/08/64/92/174086492.db2.gz RBCOAPNNCZCRDS-UHFFFAOYSA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccs1 ZINC000038098004 174111968 /nfs/dbraw/zinc/11/19/68/174111968.db2.gz MRRPIRUQYIAOKM-CYBMUJFWSA-N 2 1 252.427 3.273 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(C)c1 ZINC000127737349 287295048 /nfs/dbraw/zinc/29/50/48/287295048.db2.gz BSWCBYHSMWALKT-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527907 175192419 /nfs/dbraw/zinc/19/24/19/175192419.db2.gz ZPKVZTTXTLSMAC-VXGBXAGGSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527907 175192420 /nfs/dbraw/zinc/19/24/20/175192420.db2.gz ZPKVZTTXTLSMAC-VXGBXAGGSA-N 2 1 252.789 3.072 20 0 CGADMP CCOc1cccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000069676916 175847457 /nfs/dbraw/zinc/84/74/57/175847457.db2.gz WQCXTMALCGVANY-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000050580302 416478644 /nfs/dbraw/zinc/47/86/44/416478644.db2.gz ZNAKRORNWWAJLN-WBVHZDCISA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000050580302 416478650 /nfs/dbraw/zinc/47/86/50/416478650.db2.gz ZNAKRORNWWAJLN-WBVHZDCISA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188366 416486940 /nfs/dbraw/zinc/48/69/40/416486940.db2.gz YIGILWALFJXUSB-IRXDYDNUSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188366 416486944 /nfs/dbraw/zinc/48/69/44/416486944.db2.gz YIGILWALFJXUSB-IRXDYDNUSA-N 2 1 258.409 3.102 20 0 CGADMP c1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)ccnc2c1 ZINC000316274321 416538954 /nfs/dbraw/zinc/53/89/54/416538954.db2.gz JCCPNZCDRXOQRH-FUHWJXTLSA-N 2 1 295.430 3.199 20 0 CGADMP c1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000317090654 416540065 /nfs/dbraw/zinc/54/00/65/416540065.db2.gz APNKPNFENONSPN-IEBWSBKVSA-N 2 1 295.430 3.199 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000317090654 416540070 /nfs/dbraw/zinc/54/00/70/416540070.db2.gz APNKPNFENONSPN-IEBWSBKVSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC000404753509 416557589 /nfs/dbraw/zinc/55/75/89/416557589.db2.gz YQCDMTDYCALBIF-BZUAXINKSA-N 2 1 272.436 3.036 20 0 CGADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000405600278 416558309 /nfs/dbraw/zinc/55/83/09/416558309.db2.gz PCIOMYCBPNUCAW-ZSZQSSIHSA-N 2 1 298.430 3.196 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000122386208 416504152 /nfs/dbraw/zinc/50/41/52/416504152.db2.gz BKPGBRGEWIIVJK-ZOWXZIJZSA-N 2 1 298.377 3.408 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000122778325 416505856 /nfs/dbraw/zinc/50/58/56/416505856.db2.gz BAHURDVINLJHMJ-CJNGLKHVSA-N 2 1 296.842 3.168 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2cc(C)ccc2C)CC[C@@H]1[NH3+] ZINC000122723370 416505926 /nfs/dbraw/zinc/50/59/26/416505926.db2.gz FPAQSIBMEJTSQJ-SJORKVTESA-N 2 1 290.451 3.132 20 0 CGADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[C@@H](F)C2)C[C@H]1F ZINC000679227730 543604937 /nfs/dbraw/zinc/60/49/37/543604937.db2.gz ZYCHDZWCHPSUBL-GEEKYZPCSA-N 2 1 288.426 3.126 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[C@@H](F)C2)C[C@H]1F ZINC000679227730 543604938 /nfs/dbraw/zinc/60/49/38/543604938.db2.gz ZYCHDZWCHPSUBL-GEEKYZPCSA-N 2 1 288.426 3.126 20 0 CGADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[C@@H](F)C2)C[C@H]1F ZINC000679227730 543604940 /nfs/dbraw/zinc/60/49/40/543604940.db2.gz ZYCHDZWCHPSUBL-GEEKYZPCSA-N 2 1 288.426 3.126 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679540290 543644223 /nfs/dbraw/zinc/64/42/23/543644223.db2.gz JSYMCKFNXUKCIY-YPMHNXCESA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679540290 543644225 /nfs/dbraw/zinc/64/42/25/543644225.db2.gz JSYMCKFNXUKCIY-YPMHNXCESA-N 2 1 289.345 3.244 20 0 CGADMP CC[N@H+]1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@@H]1C ZINC000680622493 543720497 /nfs/dbraw/zinc/72/04/97/543720497.db2.gz AWQIAXZXZSITQL-AWEZNQCLSA-N 2 1 269.392 3.074 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130348975 287352822 /nfs/dbraw/zinc/35/28/22/287352822.db2.gz OGNWEZLRTROZDT-NCOADZHNSA-N 2 1 264.457 3.418 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(F)c2)[C@H](C)C1 ZINC000131494787 287381865 /nfs/dbraw/zinc/38/18/65/287381865.db2.gz VMZKCWIZLMOBFT-RHSMWYFYSA-N 2 1 292.442 3.423 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000684370312 543987305 /nfs/dbraw/zinc/98/73/05/543987305.db2.gz SILBYSDZABRXHK-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2cnccc21 ZINC000685462700 544074988 /nfs/dbraw/zinc/07/49/88/544074988.db2.gz LFEVHZRTFDEGRW-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000685470454 544077137 /nfs/dbraw/zinc/07/71/37/544077137.db2.gz QRFMDHLONFOTEG-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000685470454 544077138 /nfs/dbraw/zinc/07/71/38/544077138.db2.gz QRFMDHLONFOTEG-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000685470454 544077140 /nfs/dbraw/zinc/07/71/40/544077140.db2.gz QRFMDHLONFOTEG-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000685470454 544077143 /nfs/dbraw/zinc/07/71/43/544077143.db2.gz QRFMDHLONFOTEG-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000685471020 544078414 /nfs/dbraw/zinc/07/84/14/544078414.db2.gz NMUDYIRXUULQMO-CJNGLKHVSA-N 2 1 284.407 3.339 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2Cc3ccccc3C2)C1 ZINC000685839454 544100169 /nfs/dbraw/zinc/10/01/69/544100169.db2.gz KOJONYFXIUWSKW-QGZVFWFLSA-N 2 1 298.474 3.065 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000685839454 544100170 /nfs/dbraw/zinc/10/01/70/544100170.db2.gz KOJONYFXIUWSKW-QGZVFWFLSA-N 2 1 298.474 3.065 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685839454 544100171 /nfs/dbraw/zinc/10/01/71/544100171.db2.gz KOJONYFXIUWSKW-QGZVFWFLSA-N 2 1 298.474 3.065 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000136048376 287478209 /nfs/dbraw/zinc/47/82/09/287478209.db2.gz ITIBONYGMQTYOB-UKRRQHHQSA-N 2 1 263.429 3.386 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222176 418936539 /nfs/dbraw/zinc/93/65/39/418936539.db2.gz GZUVKGQCWHZISA-WMZOPIPTSA-N 2 1 292.467 3.330 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3ccsc32)CC[N@H+]1C ZINC000652220097 418936961 /nfs/dbraw/zinc/93/69/61/418936961.db2.gz UMKNYSWWFFMRNH-SWLSCSKDSA-N 2 1 274.433 3.474 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000652217904 418937281 /nfs/dbraw/zinc/93/72/81/418937281.db2.gz NSMZOJGDVSXYND-HZPDHXFCSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000652217904 418937284 /nfs/dbraw/zinc/93/72/84/418937284.db2.gz NSMZOJGDVSXYND-HZPDHXFCSA-N 2 1 272.436 3.447 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000652222360 418937687 /nfs/dbraw/zinc/93/76/87/418937687.db2.gz MEVAHBYSJSKJCI-GOSISDBHSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000652222360 418937689 /nfs/dbraw/zinc/93/76/89/418937689.db2.gz MEVAHBYSJSKJCI-GOSISDBHSA-N 2 1 289.467 3.490 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@@H](C)OC)C1CCCCC1 ZINC000652237643 418939581 /nfs/dbraw/zinc/93/95/81/418939581.db2.gz XQZQLDRSRPYGGS-HUUCEWRRSA-N 2 1 270.461 3.044 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658337333 418942338 /nfs/dbraw/zinc/94/23/38/418942338.db2.gz GBTFQZAJKZQOCH-VKJFTORMSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658337333 418942339 /nfs/dbraw/zinc/94/23/39/418942339.db2.gz GBTFQZAJKZQOCH-VKJFTORMSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1nc(C)c(C)c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000664404000 418953334 /nfs/dbraw/zinc/95/33/34/418953334.db2.gz TZVRUZNGWKOORG-OAHLLOKOSA-N 2 1 288.439 3.221 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000659859660 419016582 /nfs/dbraw/zinc/01/65/82/419016582.db2.gz LTTMRMJXRCITEA-ROUUACIJSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659859660 419016586 /nfs/dbraw/zinc/01/65/86/419016586.db2.gz LTTMRMJXRCITEA-ROUUACIJSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659859660 419016589 /nfs/dbraw/zinc/01/65/89/419016589.db2.gz LTTMRMJXRCITEA-ROUUACIJSA-N 2 1 292.467 3.161 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc(C(C)(C)C)c1 ZINC000653298867 419025271 /nfs/dbraw/zinc/02/52/71/419025271.db2.gz OJSJTTUQQLYTCQ-GOEBONIOSA-N 2 1 290.451 3.175 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]1CN1CCCC1)C1CC1 ZINC000653536584 419043779 /nfs/dbraw/zinc/04/37/79/419043779.db2.gz AZFSTDFFVBGKGQ-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP C([C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)[NH+]1CCCCC1 ZINC000659955854 419045014 /nfs/dbraw/zinc/04/50/14/419045014.db2.gz FBGSWWVTUJHLHT-VSZNYVQBSA-N 2 1 276.468 3.230 20 0 CGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C2CCCC2)CC1 ZINC000653560157 419048175 /nfs/dbraw/zinc/04/81/75/419048175.db2.gz GUUHGNQXCUWJCD-UHFFFAOYSA-N 2 1 275.440 3.255 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2c(F)cccc2F)CC[N@@H+]1C ZINC000653564783 419049404 /nfs/dbraw/zinc/04/94/04/419049404.db2.gz LSXABYRDNJATCQ-KGLIPLIRSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2c(F)cccc2F)CC[N@H+]1C ZINC000653564783 419049408 /nfs/dbraw/zinc/04/94/08/419049408.db2.gz LSXABYRDNJATCQ-KGLIPLIRSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2c(F)cccc2F)CC[NH+]1C ZINC000653564783 419049411 /nfs/dbraw/zinc/04/94/11/419049411.db2.gz LSXABYRDNJATCQ-KGLIPLIRSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2c(F)cccc2F)CC[NH+]1C ZINC000653564783 419049414 /nfs/dbraw/zinc/04/94/14/419049414.db2.gz LSXABYRDNJATCQ-KGLIPLIRSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000665239397 419088075 /nfs/dbraw/zinc/08/80/75/419088075.db2.gz SNVRAULFLIKUPY-RQJABVFESA-N 2 1 261.413 3.217 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCC1)CCS2 ZINC000665247581 419090120 /nfs/dbraw/zinc/09/01/20/419090120.db2.gz FOZHQRFSZIQHBT-CQSZACIVSA-N 2 1 292.448 3.093 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1nccc2ccccc21 ZINC000665247149 419090151 /nfs/dbraw/zinc/09/01/51/419090151.db2.gz WNLVEJNDDWJBNW-ZDUSSCGKSA-N 2 1 269.392 3.157 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)c(Cl)c1 ZINC000665249384 419092926 /nfs/dbraw/zinc/09/29/26/419092926.db2.gz PGTIJWSKTBRJRH-JTQLQIEISA-N 2 1 270.779 3.401 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(Cl)c1 ZINC000665250082 419093119 /nfs/dbraw/zinc/09/31/19/419093119.db2.gz HOBJOFSSAGGCGN-NSHDSACASA-N 2 1 252.789 3.262 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253619 419093877 /nfs/dbraw/zinc/09/38/77/419093877.db2.gz XOTITNVFEWHSOG-BASLNEPJSA-N 2 1 276.399 3.049 20 0 CGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)C(C)C)cc1 ZINC000665254027 419094533 /nfs/dbraw/zinc/09/45/33/419094533.db2.gz GGRVQAJWRUYILE-JLSDUUJJSA-N 2 1 290.451 3.165 20 0 CGADMP C[C@@H](CC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257284 419095256 /nfs/dbraw/zinc/09/52/56/419095256.db2.gz FFSUFFLPZGDILD-JCURWCKSSA-N 2 1 276.399 3.049 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653571026 419051192 /nfs/dbraw/zinc/05/11/92/419051192.db2.gz RDTONSJTHFNGDS-HOCLYGCPSA-N 2 1 263.429 3.253 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653571026 419051196 /nfs/dbraw/zinc/05/11/96/419051196.db2.gz RDTONSJTHFNGDS-HOCLYGCPSA-N 2 1 263.429 3.253 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C2CC2)[C@@H](C)C1 ZINC000653581990 419053524 /nfs/dbraw/zinc/05/35/24/419053524.db2.gz QZOORCVELXXBNY-HOCLYGCPSA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655683928 419063126 /nfs/dbraw/zinc/06/31/26/419063126.db2.gz JAFAUTMKEBTMBS-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655701961 419069709 /nfs/dbraw/zinc/06/97/09/419069709.db2.gz YCEMVZYUMPPIGZ-MAUKXSAKSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000655715547 419073853 /nfs/dbraw/zinc/07/38/53/419073853.db2.gz LHKNZJRQEUGSHV-OIISXLGYSA-N 2 1 272.436 3.363 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000655715547 419073858 /nfs/dbraw/zinc/07/38/58/419073858.db2.gz LHKNZJRQEUGSHV-OIISXLGYSA-N 2 1 272.436 3.363 20 0 CGADMP CC(C)(C)CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655729257 419080287 /nfs/dbraw/zinc/08/02/87/419080287.db2.gz HLGPHPUSSWOKEI-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2cc(C(C)C)ccc2OC)CC[C@@H]1[NH3+] ZINC000655938735 419129392 /nfs/dbraw/zinc/12/93/92/419129392.db2.gz DQSZKLNMSQCTGR-PBHICJAKSA-N 2 1 290.451 3.378 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2OC)CC[C@@H]1[NH3+] ZINC000655938735 419129396 /nfs/dbraw/zinc/12/93/96/419129396.db2.gz DQSZKLNMSQCTGR-PBHICJAKSA-N 2 1 290.451 3.378 20 0 CGADMP C[C@@H]1CN(Cc2cccc3nccn32)CC2(CCCCC2)O1 ZINC000656281114 419166168 /nfs/dbraw/zinc/16/61/68/419166168.db2.gz SEVXUMFSQHARJK-OAHLLOKOSA-N 2 1 299.418 3.258 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656086 419177243 /nfs/dbraw/zinc/17/72/43/419177243.db2.gz PRBUSNYZFPJBAT-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656086 419177246 /nfs/dbraw/zinc/17/72/46/419177246.db2.gz PRBUSNYZFPJBAT-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656086 419177248 /nfs/dbraw/zinc/17/72/48/419177248.db2.gz PRBUSNYZFPJBAT-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC[N@@H+]1C ZINC000666093989 419190078 /nfs/dbraw/zinc/19/00/78/419190078.db2.gz YQGYIRKIHMDDJO-YUELXQCFSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC[N@H+]1C ZINC000666093989 419190082 /nfs/dbraw/zinc/19/00/82/419190082.db2.gz YQGYIRKIHMDDJO-YUELXQCFSA-N 2 1 292.854 3.270 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000666172114 419194559 /nfs/dbraw/zinc/19/45/59/419194559.db2.gz CLUIRPDDBKVXEU-GDBMZVCRSA-N 2 1 275.440 3.081 20 0 CGADMP C(C1CCCC1)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000655936671 419127237 /nfs/dbraw/zinc/12/72/37/419127237.db2.gz KPZJLXGBHOXLIY-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP c1c2ccncc2sc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657295401 419245188 /nfs/dbraw/zinc/24/51/88/419245188.db2.gz OYVSHEKYKCORFL-UHFFFAOYSA-N 2 1 287.432 3.013 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c(C)c1 ZINC000657315982 419248045 /nfs/dbraw/zinc/24/80/45/419248045.db2.gz WYIHGVOJWJSIFU-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000657356794 419258312 /nfs/dbraw/zinc/25/83/12/419258312.db2.gz RTDIJDMBWNELRP-FGTMMUONSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2F)CC2CC2)CC[NH2+]1 ZINC000656792611 419222502 /nfs/dbraw/zinc/22/25/02/419222502.db2.gz TZTXQIHCGQURBK-ZBFHGGJFSA-N 2 1 290.426 3.426 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657285503 419242256 /nfs/dbraw/zinc/24/22/56/419242256.db2.gz HRTRUJRHFXCJSF-UHFFFAOYSA-N 2 1 273.424 3.298 20 0 CGADMP COc1ccc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000657523616 419297203 /nfs/dbraw/zinc/29/72/03/419297203.db2.gz HIWXDGCNWCAGPQ-ZDUSSCGKSA-N 2 1 296.842 3.311 20 0 CGADMP COc1ccc(CNC[C@@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000657523616 419297206 /nfs/dbraw/zinc/29/72/06/419297206.db2.gz HIWXDGCNWCAGPQ-ZDUSSCGKSA-N 2 1 296.842 3.311 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678964 419326526 /nfs/dbraw/zinc/32/65/26/419326526.db2.gz XIZJYERNWXXIQJ-YCPHGPKFSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657678964 419326529 /nfs/dbraw/zinc/32/65/29/419326529.db2.gz XIZJYERNWXXIQJ-YCPHGPKFSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255351 419372157 /nfs/dbraw/zinc/37/21/57/419372157.db2.gz CCCTXIIQCLANBA-CQSZACIVSA-N 2 1 296.414 3.231 20 0 CGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C(C)(C)C(F)F ZINC000657824645 419372480 /nfs/dbraw/zinc/37/24/80/419372480.db2.gz SARSNCHQEDJANN-NSHDSACASA-N 2 1 262.388 3.130 20 0 CGADMP C[C@@](C[NH3+])([NH2+]CCSc1cccc(Cl)c1)C1CC1 ZINC000662247281 419374024 /nfs/dbraw/zinc/37/40/24/419374024.db2.gz DUAAACBXCOGMOP-AWEZNQCLSA-N 2 1 284.856 3.149 20 0 CGADMP Clc1cccc(SCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000662267285 419378269 /nfs/dbraw/zinc/37/82/69/419378269.db2.gz UMPNTNYFRUHDLW-OAHLLOKOSA-N 2 1 296.867 3.118 20 0 CGADMP Clc1cccc(SCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000662267285 419378273 /nfs/dbraw/zinc/37/82/73/419378273.db2.gz UMPNTNYFRUHDLW-OAHLLOKOSA-N 2 1 296.867 3.118 20 0 CGADMP CCOC1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000657837480 419381468 /nfs/dbraw/zinc/38/14/68/419381468.db2.gz GXXKVXOWIHAYCE-AOCRQIFASA-N 2 1 296.499 3.436 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCSc1ccc(F)cc1)C1CCCCC1 ZINC000662277719 419381797 /nfs/dbraw/zinc/38/17/97/419381797.db2.gz SRAVOGSPBPIPEC-INIZCTEOSA-N 2 1 296.455 3.415 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1cc2cnccc2o1)C[NH+]1CCCC1 ZINC000657844133 419382787 /nfs/dbraw/zinc/38/27/87/419382787.db2.gz IFLOPJDZFSGRBB-KBPBESRZSA-N 2 1 287.407 3.210 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662273446 419383106 /nfs/dbraw/zinc/38/31/06/419383106.db2.gz XFWVUMYVTKLHDN-WBVHZDCISA-N 2 1 272.436 3.167 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc2cnccc2o1 ZINC000657843155 419384567 /nfs/dbraw/zinc/38/45/67/419384567.db2.gz CTGGJRHCKQRSES-CYBMUJFWSA-N 2 1 299.418 3.353 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCc3ccccc31)C2 ZINC000662284343 419385038 /nfs/dbraw/zinc/38/50/38/419385038.db2.gz GZQOZEOEICXGAL-AOIWGVFYSA-N 2 1 284.447 3.167 20 0 CGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662294383 419385770 /nfs/dbraw/zinc/38/57/70/419385770.db2.gz COOZGSUKINLYLX-IRXDYDNUSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCCSCC1 ZINC000657848266 419387131 /nfs/dbraw/zinc/38/71/31/419387131.db2.gz MBPSXDHRRPOTJV-QXSJWSMHSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCCSCC1 ZINC000657848266 419387135 /nfs/dbraw/zinc/38/71/35/419387135.db2.gz MBPSXDHRRPOTJV-QXSJWSMHSA-N 2 1 284.513 3.228 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658044088 419521313 /nfs/dbraw/zinc/52/13/13/419521313.db2.gz VPKINRVQJNJBGQ-AWEZNQCLSA-N 2 1 289.423 3.456 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658044088 419521319 /nfs/dbraw/zinc/52/13/19/419521319.db2.gz VPKINRVQJNJBGQ-AWEZNQCLSA-N 2 1 289.423 3.456 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(Br)c1 ZINC000663500384 419636103 /nfs/dbraw/zinc/63/61/03/419636103.db2.gz QZDWICSUXJPLSM-CQSZACIVSA-N 2 1 299.256 3.221 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000663502173 419637715 /nfs/dbraw/zinc/63/77/15/419637715.db2.gz DEZHGZXDWTWOGW-HLLBOEOZSA-N 2 1 272.436 3.036 20 0 CGADMP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466363 419615127 /nfs/dbraw/zinc/61/51/27/419615127.db2.gz RSQJJBPFDLRUAH-IRXDYDNUSA-N 2 1 276.468 3.421 20 0 CGADMP CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468864 419618512 /nfs/dbraw/zinc/61/85/12/419618512.db2.gz NBSWXPPKSVWXNQ-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000658237909 419694180 /nfs/dbraw/zinc/69/41/80/419694180.db2.gz GOCIXYRGCFTKFS-QGZVFWFLSA-N 2 1 288.435 3.232 20 0 CGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000180013516 260087475 /nfs/dbraw/zinc/08/74/75/260087475.db2.gz ZLFDGIIMOLNBKV-KRWDZBQOSA-N 2 1 292.492 3.487 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322975639 260112876 /nfs/dbraw/zinc/11/28/76/260112876.db2.gz ZPTLNVYEQNHELJ-FVPDABNVSA-N 2 1 252.446 3.416 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C=CCCC3)CC2)cc1 ZINC000090393246 260346699 /nfs/dbraw/zinc/34/66/99/260346699.db2.gz VNIDIJMLIAKIAE-QGZVFWFLSA-N 2 1 270.420 3.349 20 0 CGADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCCCCC1 ZINC000394525916 261378610 /nfs/dbraw/zinc/37/86/10/261378610.db2.gz FHGCNBHXDNWNCF-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCCCCC1 ZINC000394525916 261378612 /nfs/dbraw/zinc/37/86/12/261378612.db2.gz FHGCNBHXDNWNCF-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC000390836049 262349972 /nfs/dbraw/zinc/34/99/72/262349972.db2.gz JJCQDYDHRLPMNA-QUHHJHJSSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCc2ccccc2C1)[NH+]1CCCC1 ZINC000035258582 270027636 /nfs/dbraw/zinc/02/76/36/270027636.db2.gz NKSAVYYYMBKYFB-OALUTQOASA-N 2 1 286.463 3.254 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000037292685 270029224 /nfs/dbraw/zinc/02/92/24/270029224.db2.gz ODXKAJDQIRXZHV-ZWKOTPCHSA-N 2 1 272.436 3.328 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000037292685 270029225 /nfs/dbraw/zinc/02/92/25/270029225.db2.gz ODXKAJDQIRXZHV-ZWKOTPCHSA-N 2 1 272.436 3.328 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000044533815 270035886 /nfs/dbraw/zinc/03/58/86/270035886.db2.gz FVMCAXWBDIWISK-VXGBXAGGSA-N 2 1 284.806 3.472 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533860 270036371 /nfs/dbraw/zinc/03/63/71/270036371.db2.gz VCBDPTKIFXLABH-CHWSQXEVSA-N 2 1 298.377 3.280 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534744 270036434 /nfs/dbraw/zinc/03/64/34/270036434.db2.gz RPTCTXBJJKLELU-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000045692447 270038728 /nfs/dbraw/zinc/03/87/28/270038728.db2.gz WUGXBHYNVJYPEI-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000184345792 270057889 /nfs/dbraw/zinc/05/78/89/270057889.db2.gz IKANZJNXOPFPKV-JKSUJKDBSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000184345792 270057890 /nfs/dbraw/zinc/05/78/90/270057890.db2.gz IKANZJNXOPFPKV-JKSUJKDBSA-N 2 1 275.440 3.161 20 0 CGADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000194250600 270081584 /nfs/dbraw/zinc/08/15/84/270081584.db2.gz VSUDJICWVGUJHA-YCPHGPKFSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000194250600 270081585 /nfs/dbraw/zinc/08/15/85/270081585.db2.gz VSUDJICWVGUJHA-YCPHGPKFSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218955690 270085404 /nfs/dbraw/zinc/08/54/04/270085404.db2.gz WOPXYSSDSQMJMQ-YNEHKIRRSA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218955690 270085405 /nfs/dbraw/zinc/08/54/05/270085405.db2.gz WOPXYSSDSQMJMQ-YNEHKIRRSA-N 2 1 280.378 3.427 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000223117404 270086187 /nfs/dbraw/zinc/08/61/87/270086187.db2.gz CXLUKXDXSWNJCD-XUWVNRHRSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000223117404 270086188 /nfs/dbraw/zinc/08/61/88/270086188.db2.gz CXLUKXDXSWNJCD-XUWVNRHRSA-N 2 1 252.446 3.274 20 0 CGADMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCCC1 ZINC000227495960 270087091 /nfs/dbraw/zinc/08/70/91/270087091.db2.gz MINKHHJUEXBWJP-CVEARBPZSA-N 2 1 250.430 3.173 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCCC1 ZINC000227495960 270087092 /nfs/dbraw/zinc/08/70/92/270087092.db2.gz MINKHHJUEXBWJP-CVEARBPZSA-N 2 1 250.430 3.173 20 0 CGADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCCC1 ZINC000227495975 270087167 /nfs/dbraw/zinc/08/71/67/270087167.db2.gz MINKHHJUEXBWJP-HOTGVXAUSA-N 2 1 250.430 3.173 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCCC1 ZINC000227495975 270087168 /nfs/dbraw/zinc/08/71/68/270087168.db2.gz MINKHHJUEXBWJP-HOTGVXAUSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)C1 ZINC000250265623 270091294 /nfs/dbraw/zinc/09/12/94/270091294.db2.gz KKSIDTPCRZONFU-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000321963888 270093198 /nfs/dbraw/zinc/09/31/98/270093198.db2.gz ZAPZEJAJXPRFJW-FZCLSBEQSA-N 2 1 272.436 3.143 20 0 CGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCC2)nc1 ZINC000527771563 270135107 /nfs/dbraw/zinc/13/51/07/270135107.db2.gz KDMMTXOWVJKROV-JFIYKMOQSA-N 2 1 285.435 3.139 20 0 CGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)nc1 ZINC000527771563 270135108 /nfs/dbraw/zinc/13/51/08/270135108.db2.gz KDMMTXOWVJKROV-JFIYKMOQSA-N 2 1 285.435 3.139 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000527844541 270139083 /nfs/dbraw/zinc/13/90/83/270139083.db2.gz BJEGMCZFQHLFHI-MSOLQXFVSA-N 2 1 286.463 3.472 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@@H]2CCC[C@@H]21 ZINC000527981780 270148377 /nfs/dbraw/zinc/14/83/77/270148377.db2.gz RSCCSSCRMWXFRF-QZWWFDLISA-N 2 1 262.441 3.195 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529528517 270182617 /nfs/dbraw/zinc/18/26/17/270182617.db2.gz LAIBKUZMUQUHGI-UHFFFAOYSA-N 2 1 271.408 3.130 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530360 270182734 /nfs/dbraw/zinc/18/27/34/270182734.db2.gz DYRJSDYJDNTIHW-HZSPNIEDSA-N 2 1 288.426 3.378 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C2CCC2)cc1 ZINC000530354857 270199192 /nfs/dbraw/zinc/19/91/92/270199192.db2.gz SNWJPHQRTFMARV-SFHVURJKSA-N 2 1 283.419 3.402 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000530354993 270199225 /nfs/dbraw/zinc/19/92/25/270199225.db2.gz QIOUYKTUACRHSN-SFHVURJKSA-N 2 1 285.435 3.128 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000530460270 270200085 /nfs/dbraw/zinc/20/00/85/270200085.db2.gz FVRLMRXPCZTYRS-QGZVFWFLSA-N 2 1 285.435 3.354 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000530624118 270201204 /nfs/dbraw/zinc/20/12/04/270201204.db2.gz KOAQGGRWEUBOSF-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000530624118 270201205 /nfs/dbraw/zinc/20/12/05/270201205.db2.gz KOAQGGRWEUBOSF-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000530624118 270201206 /nfs/dbraw/zinc/20/12/06/270201206.db2.gz KOAQGGRWEUBOSF-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000280880505 274339887 /nfs/dbraw/zinc/33/98/87/274339887.db2.gz PCRKTASPYFIKEP-WTNVTLLGSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000453213562 274340694 /nfs/dbraw/zinc/34/06/94/274340694.db2.gz CKHPEJMNFAVNBS-HGTKMLMNSA-N 2 1 290.476 3.194 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000162083743 274349277 /nfs/dbraw/zinc/34/92/77/274349277.db2.gz XCZZNUXFGRJASV-PVAVHDDUSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000162083743 274349279 /nfs/dbraw/zinc/34/92/79/274349279.db2.gz XCZZNUXFGRJASV-PVAVHDDUSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000162083743 274349282 /nfs/dbraw/zinc/34/92/82/274349282.db2.gz XCZZNUXFGRJASV-PVAVHDDUSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000245697915 274349511 /nfs/dbraw/zinc/34/95/11/274349511.db2.gz XCZZNUXFGRJASV-OIISXLGYSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000245697915 274349512 /nfs/dbraw/zinc/34/95/12/274349512.db2.gz XCZZNUXFGRJASV-OIISXLGYSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000245697915 274349513 /nfs/dbraw/zinc/34/95/13/274349513.db2.gz XCZZNUXFGRJASV-OIISXLGYSA-N 2 1 258.409 3.164 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000247951664 287751973 /nfs/dbraw/zinc/75/19/73/287751973.db2.gz FBVJWVXZJYFYDR-FOLVSLTJSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1cccc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)[nH+]1 ZINC000157305548 274793423 /nfs/dbraw/zinc/79/34/23/274793423.db2.gz YLPWVPURYBDOPQ-QGZVFWFLSA-N 2 1 287.451 3.338 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000453060781 275069381 /nfs/dbraw/zinc/06/93/81/275069381.db2.gz OGWQQNPSRQFVGR-MOPGFXCFSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000453060781 275069382 /nfs/dbraw/zinc/06/93/82/275069382.db2.gz OGWQQNPSRQFVGR-MOPGFXCFSA-N 2 1 284.447 3.150 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCCC1 ZINC000250816620 275395551 /nfs/dbraw/zinc/39/55/51/275395551.db2.gz FJGVZPGETFZJDH-CVEARBPZSA-N 2 1 250.430 3.173 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCCC1 ZINC000250816623 275396271 /nfs/dbraw/zinc/39/62/71/275396271.db2.gz FJGVZPGETFZJDH-HOTGVXAUSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288619 276073230 /nfs/dbraw/zinc/07/32/30/276073230.db2.gz QUWNVETUQYDMMC-XIRDDKMYSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288619 276073232 /nfs/dbraw/zinc/07/32/32/276073232.db2.gz QUWNVETUQYDMMC-XIRDDKMYSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288619 276073233 /nfs/dbraw/zinc/07/32/33/276073233.db2.gz QUWNVETUQYDMMC-XIRDDKMYSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000191809136 276096499 /nfs/dbraw/zinc/09/64/99/276096499.db2.gz LGNMUWUJYKMSAC-KRWDZBQOSA-N 2 1 275.440 3.259 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000191809136 276096501 /nfs/dbraw/zinc/09/65/01/276096501.db2.gz LGNMUWUJYKMSAC-KRWDZBQOSA-N 2 1 275.440 3.259 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000338313522 276096608 /nfs/dbraw/zinc/09/66/08/276096608.db2.gz LJBQQASFQWHSHX-HNNXBMFYSA-N 2 1 260.425 3.338 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCc2ccccc2[C@@H]1C ZINC000338313522 276096610 /nfs/dbraw/zinc/09/66/10/276096610.db2.gz LJBQQASFQWHSHX-HNNXBMFYSA-N 2 1 260.425 3.338 20 0 CGADMP CC1(C)CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000079626794 276102498 /nfs/dbraw/zinc/10/24/98/276102498.db2.gz DQUWGDYARGPPFO-UHFFFAOYSA-N 2 1 250.430 3.172 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000137611841 276109455 /nfs/dbraw/zinc/10/94/55/276109455.db2.gz MNVQORMXUILFKE-OAHLLOKOSA-N 2 1 278.415 3.032 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000137611841 276109456 /nfs/dbraw/zinc/10/94/56/276109456.db2.gz MNVQORMXUILFKE-OAHLLOKOSA-N 2 1 278.415 3.032 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(C)C)[C@@H](C)C1 ZINC000499551713 276224751 /nfs/dbraw/zinc/22/47/51/276224751.db2.gz ZUKSRUKXBFZTQP-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)(C)C)[C@@H](C)C1 ZINC000499551713 276224752 /nfs/dbraw/zinc/22/47/52/276224752.db2.gz ZUKSRUKXBFZTQP-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)(C)C)[C@@H](C)C1 ZINC000499551713 276224753 /nfs/dbraw/zinc/22/47/53/276224753.db2.gz ZUKSRUKXBFZTQP-GJZGRUSLSA-N 2 1 254.462 3.475 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000481991600 276229366 /nfs/dbraw/zinc/22/93/66/276229366.db2.gz MDECSVWPUZIRSE-WOYTXXSLSA-N 2 1 266.473 3.379 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352836318 277023096 /nfs/dbraw/zinc/02/30/96/277023096.db2.gz KBZGEORHECPVBI-UHFFFAOYSA-N 2 1 262.441 3.341 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000435877397 277267762 /nfs/dbraw/zinc/26/77/62/277267762.db2.gz QJOCBDHZEQZYGQ-CQSZACIVSA-N 2 1 252.789 3.086 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000435877397 277267764 /nfs/dbraw/zinc/26/77/64/277267764.db2.gz QJOCBDHZEQZYGQ-CQSZACIVSA-N 2 1 252.789 3.086 20 0 CGADMP C[C@@H](CC1CCCCC1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422565132 277561232 /nfs/dbraw/zinc/56/12/32/277561232.db2.gz XRTXODIMQGLBTF-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000297646333 277743935 /nfs/dbraw/zinc/74/39/35/277743935.db2.gz MZQZLZWYIRISHX-GOSISDBHSA-N 2 1 287.451 3.038 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000129969894 278024680 /nfs/dbraw/zinc/02/46/80/278024680.db2.gz MAGUPCKKMXSEIQ-IKWCTNDRSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000129969894 278024681 /nfs/dbraw/zinc/02/46/81/278024681.db2.gz MAGUPCKKMXSEIQ-IKWCTNDRSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC[N@@H+]1C ZINC000362305702 278029419 /nfs/dbraw/zinc/02/94/19/278029419.db2.gz VEUHERQCYCAYOM-DMRZNYOFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC[N@H+]1C ZINC000362305702 278029420 /nfs/dbraw/zinc/02/94/20/278029420.db2.gz VEUHERQCYCAYOM-DMRZNYOFSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C2CCCCC2)CC[N@@H+]1C ZINC000362305704 278030364 /nfs/dbraw/zinc/03/03/64/278030364.db2.gz VEUHERQCYCAYOM-MIGQKNRLSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C2CCCCC2)CC[N@H+]1C ZINC000362305704 278030365 /nfs/dbraw/zinc/03/03/65/278030365.db2.gz VEUHERQCYCAYOM-MIGQKNRLSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CC(C)(C)C1)Cc1ccccc1 ZINC000395184220 288006752 /nfs/dbraw/zinc/00/67/52/288006752.db2.gz QEKDYPIPNNNUOF-UHFFFAOYSA-N 2 1 260.425 3.287 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422850358 278140580 /nfs/dbraw/zinc/14/05/80/278140580.db2.gz CZUOZJOMBANSNT-CVEARBPZSA-N 2 1 296.455 3.438 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414932080 278168030 /nfs/dbraw/zinc/16/80/30/278168030.db2.gz SGCLYFGOPBTNGX-MNOVXSKESA-N 2 1 266.351 3.085 20 0 CGADMP CC1(C)CCC(C[NH+]2CCC3(CC[NH2+]3)CC2)CC1 ZINC000422561345 278195768 /nfs/dbraw/zinc/19/57/68/278195768.db2.gz KSWNVOXHOYCTOI-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)ccc2n1 ZINC000397302743 288022616 /nfs/dbraw/zinc/02/26/16/288022616.db2.gz GRLHRRLHROYMSG-SIIHOXLZSA-N 2 1 297.446 3.348 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000397353285 288023060 /nfs/dbraw/zinc/02/30/60/288023060.db2.gz VFQGZJAQWGDIGG-BZPMIXESSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000163340455 278227053 /nfs/dbraw/zinc/22/70/53/278227053.db2.gz HPJYFFMGGCEIGX-NSHDSACASA-N 2 1 278.362 3.324 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000226330956 278231313 /nfs/dbraw/zinc/23/13/13/278231313.db2.gz KCSANHQQJADRSI-OBJOEFQTSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000157900539 278257429 /nfs/dbraw/zinc/25/74/29/278257429.db2.gz HQNRVYAAUSPONN-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000122218050 278285192 /nfs/dbraw/zinc/28/51/92/278285192.db2.gz VMPFWVINHVFILC-GOEBONIOSA-N 2 1 276.424 3.369 20 0 CGADMP CC(C)(C)CC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262025122 278315998 /nfs/dbraw/zinc/31/59/98/278315998.db2.gz WOOLFUUOWIYEBH-CVEARBPZSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C2CC2)cc1 ZINC000417353158 278334918 /nfs/dbraw/zinc/33/49/18/278334918.db2.gz IAYPVTIFOWSPSJ-CYBMUJFWSA-N 2 1 258.409 3.309 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1nccc2ccccc21 ZINC000423362362 278348518 /nfs/dbraw/zinc/34/85/18/278348518.db2.gz STKNIFGJZSPJRA-UKRRQHHQSA-N 2 1 269.392 3.028 20 0 CGADMP C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1F)C1C[NH2+]C1 ZINC000422779781 278367165 /nfs/dbraw/zinc/36/71/65/278367165.db2.gz IVOJTBORHFNFDI-KUHUBIRLSA-N 2 1 298.405 3.307 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422903348 288062664 /nfs/dbraw/zinc/06/26/64/288062664.db2.gz OIHJOHJJZOFVNQ-QZTJIDSGSA-N 2 1 282.387 3.320 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)CC[NH2+]1 ZINC000423367612 278998221 /nfs/dbraw/zinc/99/82/21/278998221.db2.gz DLQYPZFPYZOBLP-GYSYKLTISA-N 2 1 280.412 3.093 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459746190 288101232 /nfs/dbraw/zinc/10/12/32/288101232.db2.gz ZBCOQBBTHICIEO-NVXWUHKLSA-N 2 1 292.442 3.468 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000475342116 279160865 /nfs/dbraw/zinc/16/08/65/279160865.db2.gz HUVZQLLBUDKEAX-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@H]1c1ccccc1 ZINC000349411434 279179126 /nfs/dbraw/zinc/17/91/26/279179126.db2.gz WZSNSHNJJWATMI-SJORKVTESA-N 2 1 260.425 3.064 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCC[C@@H]1C ZINC000444660665 279212496 /nfs/dbraw/zinc/21/24/96/279212496.db2.gz KEHLEIHEYSBAIT-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@@H]1C ZINC000444660665 279212498 /nfs/dbraw/zinc/21/24/98/279212498.db2.gz KEHLEIHEYSBAIT-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCC[C@@H]1C ZINC000444660665 279212501 /nfs/dbraw/zinc/21/25/01/279212501.db2.gz KEHLEIHEYSBAIT-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)C(C)C ZINC000420310064 279217367 /nfs/dbraw/zinc/21/73/67/279217367.db2.gz UUVOMLWDUZLSBP-GDBMZVCRSA-N 2 1 278.440 3.104 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000344127077 288159883 /nfs/dbraw/zinc/15/98/83/288159883.db2.gz YSJZRYIDOWHNDQ-BDXSIMOUSA-N 2 1 296.499 3.292 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000527715420 288190785 /nfs/dbraw/zinc/19/07/85/288190785.db2.gz GXKSKURMWLWTHY-YHWZYXNKSA-N 2 1 274.399 3.273 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652730 288211239 /nfs/dbraw/zinc/21/12/39/288211239.db2.gz WHVRNUUBTSMFSZ-FUHWJXTLSA-N 2 1 287.451 3.387 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652730 288211242 /nfs/dbraw/zinc/21/12/42/288211242.db2.gz WHVRNUUBTSMFSZ-FUHWJXTLSA-N 2 1 287.451 3.387 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584608 288265716 /nfs/dbraw/zinc/26/57/16/288265716.db2.gz DFCNZEHWLINEEM-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584608 288265720 /nfs/dbraw/zinc/26/57/20/288265720.db2.gz DFCNZEHWLINEEM-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584608 288265723 /nfs/dbraw/zinc/26/57/23/288265723.db2.gz DFCNZEHWLINEEM-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414177614 281272553 /nfs/dbraw/zinc/27/25/53/281272553.db2.gz JXVASIMTGGQRLA-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1Cl ZINC000531708294 288341590 /nfs/dbraw/zinc/34/15/90/288341590.db2.gz ZVCXVKPEMSJPQT-NSHDSACASA-N 2 1 293.798 3.204 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000531715249 288342281 /nfs/dbraw/zinc/34/22/81/288342281.db2.gz HFXXSZWEZGRCBH-MLGOLLRUSA-N 2 1 278.827 3.259 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000531715247 288342379 /nfs/dbraw/zinc/34/23/79/288342379.db2.gz HFXXSZWEZGRCBH-BLLLJJGKSA-N 2 1 278.827 3.259 20 0 CGADMP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1)C1CCOCC1 ZINC000532479196 288364160 /nfs/dbraw/zinc/36/41/60/288364160.db2.gz UYVFIRBCSRAXDW-RYQLBKOJSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCCC1 ZINC000337991182 282046502 /nfs/dbraw/zinc/04/65/02/282046502.db2.gz VBWXZKSIHAVKST-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000542151834 288736249 /nfs/dbraw/zinc/73/62/49/288736249.db2.gz RPHPVIXVMKYJNO-ZDUSSCGKSA-N 2 1 266.454 3.142 20 0 CGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000549041353 289033702 /nfs/dbraw/zinc/03/37/02/289033702.db2.gz XCKIONFOILMWIG-UONOGXRCSA-N 2 1 296.405 3.217 20 0 CGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000550833452 289085633 /nfs/dbraw/zinc/08/56/33/289085633.db2.gz XNNXZTHBFXTLMP-CYBMUJFWSA-N 2 1 296.842 3.169 20 0 CGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000550833452 289085635 /nfs/dbraw/zinc/08/56/35/289085635.db2.gz XNNXZTHBFXTLMP-CYBMUJFWSA-N 2 1 296.842 3.169 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000552042655 289153204 /nfs/dbraw/zinc/15/32/04/289153204.db2.gz SHKSSQOWAXQEIX-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000552042655 289153206 /nfs/dbraw/zinc/15/32/06/289153206.db2.gz SHKSSQOWAXQEIX-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP Cc1ccsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000552062349 289157552 /nfs/dbraw/zinc/15/75/52/289157552.db2.gz VDXYWRXNEYRTFY-KFWWJZLASA-N 2 1 278.465 3.061 20 0 CGADMP CS[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(C)(C)C ZINC000552066892 289158122 /nfs/dbraw/zinc/15/81/22/289158122.db2.gz TVHNQVAWWZGAOB-KBUPBQIOSA-N 2 1 284.513 3.227 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000554384906 289280309 /nfs/dbraw/zinc/28/03/09/289280309.db2.gz NQXWFPRZDSJJFI-PVAVHDDUSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000555234308 289334967 /nfs/dbraw/zinc/33/49/67/289334967.db2.gz MWGHHCOQVMGRKJ-RYKRPPSOSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556210435 289377669 /nfs/dbraw/zinc/37/76/69/289377669.db2.gz RKMMBBQIKCEAKL-ZTFGCOKTSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000556225626 289378314 /nfs/dbraw/zinc/37/83/14/289378314.db2.gz YONSPAMPCLHGSW-WMUDQEJXSA-N 2 1 252.446 3.129 20 0 CGADMP Clc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346820717 294116667 /nfs/dbraw/zinc/11/66/67/294116667.db2.gz IFPABXWQFUSXSM-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CCCCC1 ZINC000423262355 295264460 /nfs/dbraw/zinc/26/44/60/295264460.db2.gz MDRLQZDDKWKDMH-MSOLQXFVSA-N 2 1 288.435 3.267 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261714610 302036627 /nfs/dbraw/zinc/03/66/27/302036627.db2.gz FAWGBOBDWASKNQ-SJORKVTESA-N 2 1 258.409 3.132 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459790158 302100469 /nfs/dbraw/zinc/10/04/69/302100469.db2.gz RAKFGFKDECPYQI-SJORKVTESA-N 2 1 274.452 3.248 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000070169401 303390164 /nfs/dbraw/zinc/39/01/64/303390164.db2.gz TYOZNMWHNLTOKC-PBHICJAKSA-N 2 1 258.409 3.125 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000582514931 329099716 /nfs/dbraw/zinc/09/97/16/329099716.db2.gz ZJUHUNWIQLMHEK-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000582514931 329099718 /nfs/dbraw/zinc/09/97/18/329099718.db2.gz ZJUHUNWIQLMHEK-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000563944745 322016522 /nfs/dbraw/zinc/01/65/22/322016522.db2.gz UJAYTWYVXKVAJN-QGZVFWFLSA-N 2 1 296.499 3.421 20 0 CGADMP CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000564376029 322028963 /nfs/dbraw/zinc/02/89/63/322028963.db2.gz CBECEFUXNMDGJD-RHSMWYFYSA-N 2 1 264.457 3.252 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000564569776 322034607 /nfs/dbraw/zinc/03/46/07/322034607.db2.gz CLWLGGLEGPVZQK-UXLLHSPISA-N 2 1 260.425 3.095 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000564969441 322051962 /nfs/dbraw/zinc/05/19/62/322051962.db2.gz LXNGYKQGBQEBRQ-LBPRGKRZSA-N 2 1 284.806 3.082 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000564969441 322051960 /nfs/dbraw/zinc/05/19/60/322051960.db2.gz LXNGYKQGBQEBRQ-LBPRGKRZSA-N 2 1 284.806 3.082 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000564973803 322052224 /nfs/dbraw/zinc/05/22/24/322052224.db2.gz TTZDCZDWVAZYLU-CHWSQXEVSA-N 2 1 295.858 3.156 20 0 CGADMP CC[NH+]1CCC(Nc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000565538442 322081689 /nfs/dbraw/zinc/08/16/89/322081689.db2.gz RTWQCOMHGCDRPY-UHFFFAOYSA-N 2 1 269.392 3.439 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000565579123 322082796 /nfs/dbraw/zinc/08/27/96/322082796.db2.gz SGYPKSSLYHWWLI-NXOAAHMSSA-N 2 1 282.472 3.187 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000567269480 322157130 /nfs/dbraw/zinc/15/71/30/322157130.db2.gz HLBCRUZSRPLRRQ-KGLIPLIRSA-N 2 1 278.465 3.132 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000568414088 322208672 /nfs/dbraw/zinc/20/86/72/322208672.db2.gz ZZWGASZUGJBLDR-MRXNPFEDSA-N 2 1 285.435 3.378 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@H]2CCCC[C@H]12 ZINC000568748689 322220738 /nfs/dbraw/zinc/22/07/38/322220738.db2.gz AOIQBPBZRYZOKG-OIISXLGYSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)[C@H](C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000569039527 322232686 /nfs/dbraw/zinc/23/26/86/322232686.db2.gz ZYJPGXYGSOIJEU-KRWDZBQOSA-N 2 1 262.441 3.310 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000569155378 322237114 /nfs/dbraw/zinc/23/71/14/322237114.db2.gz CWRJWLXINLBYTM-FXUDXRNXSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000569155378 322237116 /nfs/dbraw/zinc/23/71/16/322237116.db2.gz CWRJWLXINLBYTM-FXUDXRNXSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000569155378 322237119 /nfs/dbraw/zinc/23/71/19/322237119.db2.gz CWRJWLXINLBYTM-FXUDXRNXSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000569155378 322237120 /nfs/dbraw/zinc/23/71/20/322237120.db2.gz CWRJWLXINLBYTM-FXUDXRNXSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000569172257 322237826 /nfs/dbraw/zinc/23/78/26/322237826.db2.gz ISLWBRSRSGQYAV-OHFALNGGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000569172257 322237828 /nfs/dbraw/zinc/23/78/28/322237828.db2.gz ISLWBRSRSGQYAV-OHFALNGGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000569172257 322237831 /nfs/dbraw/zinc/23/78/31/322237831.db2.gz ISLWBRSRSGQYAV-OHFALNGGSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000569256632 322241171 /nfs/dbraw/zinc/24/11/71/322241171.db2.gz QMFIAQKETZHQDQ-DZGCQCFKSA-N 2 1 263.429 3.157 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000569635860 322252636 /nfs/dbraw/zinc/25/26/36/322252636.db2.gz JREZMDAONUQVKE-OAGGEKHMSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000569635860 322252638 /nfs/dbraw/zinc/25/26/38/322252638.db2.gz JREZMDAONUQVKE-OAGGEKHMSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC000569661967 322253279 /nfs/dbraw/zinc/25/32/79/322253279.db2.gz CEXKAPCEPCPXJS-YALNPMBYSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000569889216 322259636 /nfs/dbraw/zinc/25/96/36/322259636.db2.gz PSUFLYXZMJRHRH-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000569889216 322259635 /nfs/dbraw/zinc/25/96/35/322259635.db2.gz PSUFLYXZMJRHRH-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1C=CCCCCC1 ZINC000569944504 322261397 /nfs/dbraw/zinc/26/13/97/322261397.db2.gz MKDGQEXIOOZJMH-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1C=CCCCCC1 ZINC000569944504 322261399 /nfs/dbraw/zinc/26/13/99/322261399.db2.gz MKDGQEXIOOZJMH-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000570489049 322274697 /nfs/dbraw/zinc/27/46/97/322274697.db2.gz IJYGRSSTRZVVCU-VSZNYVQBSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000570489049 322274698 /nfs/dbraw/zinc/27/46/98/322274698.db2.gz IJYGRSSTRZVVCU-VSZNYVQBSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000570579500 322276939 /nfs/dbraw/zinc/27/69/39/322276939.db2.gz YOYPFUSDQHGQTK-GOSISDBHSA-N 2 1 283.419 3.498 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000570579500 322276941 /nfs/dbraw/zinc/27/69/41/322276941.db2.gz YOYPFUSDQHGQTK-GOSISDBHSA-N 2 1 283.419 3.498 20 0 CGADMP C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000570708646 322280281 /nfs/dbraw/zinc/28/02/81/322280281.db2.gz KTIYRRUMIBJINL-VQCLRJIVSA-N 2 1 281.403 3.339 20 0 CGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CCC2CCCC2)C(C)(C)C)C1 ZINC000570975928 322287041 /nfs/dbraw/zinc/28/70/41/322287041.db2.gz NFSJCFHVJFMHKT-SJLPKXTDSA-N 2 1 296.499 3.028 20 0 CGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CCC2CCCC2)C(C)(C)C)C1 ZINC000570975928 322287043 /nfs/dbraw/zinc/28/70/43/322287043.db2.gz NFSJCFHVJFMHKT-SJLPKXTDSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccoc1 ZINC000572392358 322334906 /nfs/dbraw/zinc/33/49/06/322334906.db2.gz AKDKEACIQIUVRC-WQPVAANYSA-N 2 1 274.408 3.084 20 0 CGADMP CCC1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000388909979 328586644 /nfs/dbraw/zinc/58/66/44/328586644.db2.gz IJJFAYUNTODPSH-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000582126948 327332526 /nfs/dbraw/zinc/33/25/26/327332526.db2.gz ZSKNPJHQPWRRTD-QQXKLLMISA-N 2 1 284.447 3.395 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000582514931 329099715 /nfs/dbraw/zinc/09/97/15/329099715.db2.gz ZJUHUNWIQLMHEK-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000580493630 330349295 /nfs/dbraw/zinc/34/92/95/330349295.db2.gz NLEMURSTSUGURM-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000580493630 330349296 /nfs/dbraw/zinc/34/92/96/330349296.db2.gz NLEMURSTSUGURM-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP CC(C)COc1ccccc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000576343269 335192032 /nfs/dbraw/zinc/19/20/32/335192032.db2.gz JLZXCCRQLUOIAL-MRXNPFEDSA-N 2 1 290.451 3.153 20 0 CGADMP CC(C)COc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000576343269 335192035 /nfs/dbraw/zinc/19/20/35/335192035.db2.gz JLZXCCRQLUOIAL-MRXNPFEDSA-N 2 1 290.451 3.153 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000576725718 335240420 /nfs/dbraw/zinc/24/04/20/335240420.db2.gz BAIZUVAVOQCSHL-CYBMUJFWSA-N 2 1 256.340 3.087 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000380978311 336042342 /nfs/dbraw/zinc/04/23/42/336042342.db2.gz YSAAKLSZVJMEJU-KTAKPFMOSA-N 2 1 278.415 3.390 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000380978311 336042343 /nfs/dbraw/zinc/04/23/43/336042343.db2.gz YSAAKLSZVJMEJU-KTAKPFMOSA-N 2 1 278.415 3.390 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000581370672 336063028 /nfs/dbraw/zinc/06/30/28/336063028.db2.gz UUFAJHZNNSESGA-SFHVURJKSA-N 2 1 272.436 3.386 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000581456589 336080099 /nfs/dbraw/zinc/08/00/99/336080099.db2.gz LRCDEUPJIPUCTA-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000581456589 336080101 /nfs/dbraw/zinc/08/01/01/336080101.db2.gz LRCDEUPJIPUCTA-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1C ZINC000385905899 336160987 /nfs/dbraw/zinc/16/09/87/336160987.db2.gz GVXSVVJSSWEFCR-GJYPPUQNSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)C[NH+](C)C ZINC000386450030 336175144 /nfs/dbraw/zinc/17/51/44/336175144.db2.gz DOVOXBXJTDDCOV-GHMZBOCLSA-N 2 1 272.795 3.327 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000348362916 500683095 /nfs/dbraw/zinc/68/30/95/500683095.db2.gz CVFXOKWLTYELSF-WMLDXEAASA-N 2 1 293.430 3.211 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423301805 533771284 /nfs/dbraw/zinc/77/12/84/533771284.db2.gz GOBJQCBLPWSSKF-RYUDHWBXSA-N 2 1 275.421 3.056 20 0 CGADMP COc1cccc2c(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)cccc12 ZINC000449037584 533832734 /nfs/dbraw/zinc/83/27/34/533832734.db2.gz ZXCALVJUBUMMAG-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000425366411 533999572 /nfs/dbraw/zinc/99/95/72/533999572.db2.gz ZZEXCRPVZOGJSF-USXIJHARSA-N 2 1 292.492 3.381 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000356135458 534207673 /nfs/dbraw/zinc/20/76/73/534207673.db2.gz ZZUHIIUVTJOREL-TZMCWYRMSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000356135458 534207682 /nfs/dbraw/zinc/20/76/82/534207682.db2.gz ZZUHIIUVTJOREL-TZMCWYRMSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000356135458 534207687 /nfs/dbraw/zinc/20/76/87/534207687.db2.gz ZZUHIIUVTJOREL-TZMCWYRMSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000356135458 534207691 /nfs/dbraw/zinc/20/76/91/534207691.db2.gz ZZUHIIUVTJOREL-TZMCWYRMSA-N 2 1 296.505 3.386 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000428058047 534215746 /nfs/dbraw/zinc/21/57/46/534215746.db2.gz XWJVCZZUZWYQFO-RDJZCZTQSA-N 2 1 290.476 3.079 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000428058047 534215747 /nfs/dbraw/zinc/21/57/47/534215747.db2.gz XWJVCZZUZWYQFO-RDJZCZTQSA-N 2 1 290.476 3.079 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000449061312 534259047 /nfs/dbraw/zinc/25/90/47/534259047.db2.gz IFDOWAFGKSDEIJ-LSDHHAIUSA-N 2 1 264.413 3.065 20 0 CGADMP CC(C)CSCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000155780953 519768023 /nfs/dbraw/zinc/76/80/23/519768023.db2.gz IHHDKQOPZZLPEN-HZPDHXFCSA-N 2 1 284.513 3.182 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000155780953 519768024 /nfs/dbraw/zinc/76/80/24/519768024.db2.gz IHHDKQOPZZLPEN-HZPDHXFCSA-N 2 1 284.513 3.182 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155780953 519768025 /nfs/dbraw/zinc/76/80/25/519768025.db2.gz IHHDKQOPZZLPEN-HZPDHXFCSA-N 2 1 284.513 3.182 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCSc3c(F)cccc32)C[C@@]1(C)C[NH3+] ZINC000423503453 534479683 /nfs/dbraw/zinc/47/96/83/534479683.db2.gz DVHDXKUSLZSWIL-DJSGYFEHSA-N 2 1 294.439 3.279 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037643634 520777689 /nfs/dbraw/zinc/77/76/89/520777689.db2.gz GJQKEWHUCSWPOC-DOTOQJQBSA-N 2 1 260.425 3.459 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc3cc(F)ccc3o2)CCCCC1 ZINC000414845479 534548948 /nfs/dbraw/zinc/54/89/48/534548948.db2.gz QYYWBUSXNVMKNS-UHFFFAOYSA-N 2 1 276.355 3.323 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)C1CCCC1 ZINC000423499795 534677749 /nfs/dbraw/zinc/67/77/49/534677749.db2.gz JVIRXWXSISDVQE-JKSUJKDBSA-N 2 1 278.827 3.434 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000037643696 524046056 /nfs/dbraw/zinc/04/60/56/524046056.db2.gz ZDWVWMCGGBVJDX-GOEBONIOSA-N 2 1 260.425 3.241 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000049553540 524167174 /nfs/dbraw/zinc/16/71/74/524167174.db2.gz NUBJXPWAEGIDAD-GHMZBOCLSA-N 2 1 272.795 3.470 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157136858 524393187 /nfs/dbraw/zinc/39/31/87/524393187.db2.gz IIRHVGINTDBQFR-SFHVURJKSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000088164168 524573787 /nfs/dbraw/zinc/57/37/87/524573787.db2.gz CJYUDTXFVAXJMX-AYHJJNSGSA-N 2 1 272.436 3.408 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3F)C2)CC[N@@H+]1C ZINC000157758257 524922156 /nfs/dbraw/zinc/92/21/56/524922156.db2.gz JRWGSZKKUMGLIB-FGZQJIAISA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3F)C2)CC[N@H+]1C ZINC000157758257 524922163 /nfs/dbraw/zinc/92/21/63/524922163.db2.gz JRWGSZKKUMGLIB-FGZQJIAISA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CC[N@H+]1C ZINC000157700738 525267428 /nfs/dbraw/zinc/26/74/28/525267428.db2.gz XIXLARCEVULNDE-DYVFJYSZSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010960 526176843 /nfs/dbraw/zinc/17/68/43/526176843.db2.gz ULWYXBIWNXBDHG-LBPRGKRZSA-N 2 1 289.448 3.289 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157205898 526467488 /nfs/dbraw/zinc/46/74/88/526467488.db2.gz NOPWSQVZSFKDDC-KRWDZBQOSA-N 2 1 258.409 3.137 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000150290752 527194055 /nfs/dbraw/zinc/19/40/55/527194055.db2.gz NYMLMOHNAIECDE-CQSZACIVSA-N 2 1 268.351 3.328 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(F)cccc2C1 ZINC000163436029 527400238 /nfs/dbraw/zinc/40/02/38/527400238.db2.gz CFADQVFPFMTNGF-UHFFFAOYSA-N 2 1 287.382 3.169 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(F)cccc2C1 ZINC000163436029 527400243 /nfs/dbraw/zinc/40/02/43/527400243.db2.gz CFADQVFPFMTNGF-UHFFFAOYSA-N 2 1 287.382 3.169 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000274966906 527419544 /nfs/dbraw/zinc/41/95/44/527419544.db2.gz HLVJWVXDORVGEC-UHFFFAOYSA-N 2 1 281.762 3.164 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000049329780 527432082 /nfs/dbraw/zinc/43/20/82/527432082.db2.gz MNTYZMYHLPEJDC-UHFFFAOYSA-N 2 1 283.297 3.000 20 0 CGADMP C(C[NH+]1CC[C@@H]2CCC[C@H]21)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528255 527482272 /nfs/dbraw/zinc/48/22/72/527482272.db2.gz YRQNEQHJTKINNI-ZYGGUILKSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@H]2CCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528255 527482275 /nfs/dbraw/zinc/48/22/75/527482275.db2.gz YRQNEQHJTKINNI-ZYGGUILKSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528255 527482279 /nfs/dbraw/zinc/48/22/79/527482279.db2.gz YRQNEQHJTKINNI-ZYGGUILKSA-N 2 1 262.441 3.125 20 0 CGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCF)CC1 ZINC000449298468 527647431 /nfs/dbraw/zinc/64/74/31/527647431.db2.gz IBHUNWHDKZEKLJ-UHFFFAOYSA-N 2 1 258.425 3.225 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)C1 ZINC000149639031 527815050 /nfs/dbraw/zinc/81/50/50/527815050.db2.gz KKSIDTPCRZONFU-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)nc2C)C[C@H]1C ZINC000359888501 527836297 /nfs/dbraw/zinc/83/62/97/527836297.db2.gz TXRBNCIAIOWTLZ-PBHICJAKSA-N 2 1 275.440 3.003 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)nc2C)C[C@H]1C ZINC000359888501 527836300 /nfs/dbraw/zinc/83/63/00/527836300.db2.gz TXRBNCIAIOWTLZ-PBHICJAKSA-N 2 1 275.440 3.003 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)nc2C)C[C@H]1C ZINC000359888501 527836303 /nfs/dbraw/zinc/83/63/03/527836303.db2.gz TXRBNCIAIOWTLZ-PBHICJAKSA-N 2 1 275.440 3.003 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)nc2C)C[C@H]1C ZINC000359888501 527836307 /nfs/dbraw/zinc/83/63/07/527836307.db2.gz TXRBNCIAIOWTLZ-PBHICJAKSA-N 2 1 275.440 3.003 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310828 527840089 /nfs/dbraw/zinc/84/00/89/527840089.db2.gz VHZWBQIOWRZKRQ-WBAXXEDZSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310828 527840094 /nfs/dbraw/zinc/84/00/94/527840094.db2.gz VHZWBQIOWRZKRQ-WBAXXEDZSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310828 527840099 /nfs/dbraw/zinc/84/00/99/527840099.db2.gz VHZWBQIOWRZKRQ-WBAXXEDZSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310828 527840105 /nfs/dbraw/zinc/84/01/05/527840105.db2.gz VHZWBQIOWRZKRQ-WBAXXEDZSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310825 527841716 /nfs/dbraw/zinc/84/17/16/527841716.db2.gz VHZWBQIOWRZKRQ-JCGIZDLHSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310825 527841720 /nfs/dbraw/zinc/84/17/20/527841720.db2.gz VHZWBQIOWRZKRQ-JCGIZDLHSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310825 527841725 /nfs/dbraw/zinc/84/17/25/527841725.db2.gz VHZWBQIOWRZKRQ-JCGIZDLHSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411310825 527841729 /nfs/dbraw/zinc/84/17/29/527841729.db2.gz VHZWBQIOWRZKRQ-JCGIZDLHSA-N 2 1 290.426 3.345 20 0 CGADMP CCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000358307287 528063215 /nfs/dbraw/zinc/06/32/15/528063215.db2.gz WQDLQQLOXLXVJR-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C/C=C/c1ccncc1 ZINC000449385192 528314570 /nfs/dbraw/zinc/31/45/70/528314570.db2.gz PLSKHASEPNSAJF-QWNKOJSDSA-N 2 1 287.451 3.195 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449129855 528472168 /nfs/dbraw/zinc/47/21/68/528472168.db2.gz DVPWHAQOLRLAKA-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449129855 528472174 /nfs/dbraw/zinc/47/21/74/528472174.db2.gz DVPWHAQOLRLAKA-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423268987 528532665 /nfs/dbraw/zinc/53/26/65/528532665.db2.gz GSSCRCZCPDNLCE-KSSFIOAISA-N 2 1 283.419 3.383 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000423269421 528535483 /nfs/dbraw/zinc/53/54/83/528535483.db2.gz HDCCCOHVFPLVSH-GJZGRUSLSA-N 2 1 270.367 3.235 20 0 CGADMP CCOc1cccc2cc([C@@H](C)[NH2+]C3CC[NH2+]CC3)oc21 ZINC000422792260 528698037 /nfs/dbraw/zinc/69/80/37/528698037.db2.gz VXUCWHWGRUCMCI-GFCCVEGCSA-N 2 1 288.391 3.234 20 0 CGADMP CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367620914 528732265 /nfs/dbraw/zinc/73/22/65/528732265.db2.gz ZBKMPYCNSBMCRG-BBWFWOEESA-N 2 1 288.435 3.048 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000423298227 528822139 /nfs/dbraw/zinc/82/21/39/528822139.db2.gz NRXUMWSSOBQLJE-GJZGRUSLSA-N 2 1 292.423 3.016 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2sccc21 ZINC000423297647 528824781 /nfs/dbraw/zinc/82/47/81/528824781.db2.gz LEBRPTRBBSWLCY-AAEUAGOBSA-N 2 1 252.427 3.233 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000423288363 528950924 /nfs/dbraw/zinc/95/09/24/528950924.db2.gz RWCXUBHJAGGBJI-CQSZACIVSA-N 2 1 294.464 3.339 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423290327 528953202 /nfs/dbraw/zinc/95/32/02/528953202.db2.gz ZRSSYDXCUCDQEE-CQSZACIVSA-N 2 1 266.816 3.434 20 0 CGADMP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000423302225 529159437 /nfs/dbraw/zinc/15/94/37/529159437.db2.gz JKDUBKQFRCWVHI-CYBMUJFWSA-N 2 1 273.207 3.254 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cccc(Br)c1 ZINC000423458733 529173130 /nfs/dbraw/zinc/17/31/30/529173130.db2.gz HDALFFALVWNARO-QWHCGFSZSA-N 2 1 285.229 3.227 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000414184839 529167763 /nfs/dbraw/zinc/16/77/63/529167763.db2.gz OLIKXIRIPIPSNH-MAUKXSAKSA-N 2 1 290.451 3.468 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(F)cc1F ZINC000425951309 529172465 /nfs/dbraw/zinc/17/24/65/529172465.db2.gz MLTBYAGJWKJTDP-IAQYHMDHSA-N 2 1 270.367 3.203 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc(Br)c1 ZINC000423280378 529173211 /nfs/dbraw/zinc/17/32/11/529173211.db2.gz UATVBXWAFWPKJR-ZIAGYGMSSA-N 2 1 299.256 3.473 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423263589 529257169 /nfs/dbraw/zinc/25/71/69/529257169.db2.gz BDKKBCCRCXPIKS-OCCSQVGLSA-N 2 1 266.454 3.433 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)CC)CC1 ZINC000480758842 535216960 /nfs/dbraw/zinc/21/69/60/535216960.db2.gz FNZPRSQZLWFDKC-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC ZINC000037648807 535912730 /nfs/dbraw/zinc/91/27/30/535912730.db2.gz INMSNIOKZLJYLC-PBHICJAKSA-N 2 1 288.435 3.220 20 0 CGADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000459749766 535946633 /nfs/dbraw/zinc/94/66/33/535946633.db2.gz YRSWGQAGPGYNLK-VHSSKADRSA-N 2 1 299.418 3.399 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000459743124 536384442 /nfs/dbraw/zinc/38/44/42/536384442.db2.gz WHEFHMMYBFTBGR-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000459721027 536384928 /nfs/dbraw/zinc/38/49/28/536384928.db2.gz AFDIPUVMXIYTFE-CQSZACIVSA-N 2 1 298.377 3.110 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000480757375 536797299 /nfs/dbraw/zinc/79/72/99/536797299.db2.gz BNOYHDPVAZURDC-INIZCTEOSA-N 2 1 292.467 3.429 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C)cc2)C[C@@H]1C ZINC000740882110 571891323 /nfs/dbraw/zinc/89/13/23/571891323.db2.gz GPOSIAUJKRWGKM-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C)cc2)C[C@@H]1C ZINC000740882110 571891324 /nfs/dbraw/zinc/89/13/24/571891324.db2.gz GPOSIAUJKRWGKM-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C)cc2)C[C@@H]1C ZINC000740882110 571891327 /nfs/dbraw/zinc/89/13/27/571891327.db2.gz GPOSIAUJKRWGKM-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccoc2)c1 ZINC000729682495 571929648 /nfs/dbraw/zinc/92/96/48/571929648.db2.gz WNNLLGNLSUBFGM-UHFFFAOYSA-N 2 1 258.365 3.021 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCc2ccccc21 ZINC000738311704 572371631 /nfs/dbraw/zinc/37/16/31/572371631.db2.gz JCCVLYHNEBVGSO-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)SC)[C@@H](C)C1 ZINC000876764739 634895794 /nfs/dbraw/zinc/89/57/94/634895794.db2.gz QTIZCCSJRQWYGO-KBPBESRZSA-N 2 1 272.502 3.180 20 0 CGADMP c1csc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000051919551 618666827 /nfs/dbraw/zinc/66/68/27/618666827.db2.gz VDYWFECHRWUHPB-ZDUSSCGKSA-N 2 1 264.438 3.102 20 0 CGADMP c1csc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000051919553 618667045 /nfs/dbraw/zinc/66/70/45/618667045.db2.gz VDYWFECHRWUHPB-CYBMUJFWSA-N 2 1 264.438 3.102 20 0 CGADMP COC1CCC(C[NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000892713280 618919274 /nfs/dbraw/zinc/91/92/74/618919274.db2.gz FDYWWKQMZHSQRS-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP COC1CCC(C[NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000892713280 618919275 /nfs/dbraw/zinc/91/92/75/618919275.db2.gz FDYWWKQMZHSQRS-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)CCCC[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000893101254 618996054 /nfs/dbraw/zinc/99/60/54/618996054.db2.gz MEOASZWQRNWGIQ-UHFFFAOYSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000925539309 619037675 /nfs/dbraw/zinc/03/76/75/619037675.db2.gz BRNPXMVNBWBDFA-CYDGBPFRSA-N 2 1 278.362 3.085 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000925631060 619097754 /nfs/dbraw/zinc/09/77/54/619097754.db2.gz UAKYLSQYONRIRZ-SMDDNHRTSA-N 2 1 268.351 3.242 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925661901 619116847 /nfs/dbraw/zinc/11/68/47/619116847.db2.gz FEXOJRCKHHBPCQ-GZBFAFLISA-N 2 1 282.378 3.490 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000257766244 619179516 /nfs/dbraw/zinc/17/95/16/619179516.db2.gz ZQWJEWLRBYTTQY-RYUDHWBXSA-N 2 1 252.789 3.072 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000925756912 619220696 /nfs/dbraw/zinc/22/06/96/619220696.db2.gz BTVHBBXWOLOLTD-OAHLLOKOSA-N 2 1 290.455 3.234 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)n1 ZINC000925765129 619225671 /nfs/dbraw/zinc/22/56/71/619225671.db2.gz JMIUJKGUCFVYGI-RRFJBIMHSA-N 2 1 293.842 3.054 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(F)c1 ZINC000925775334 619238280 /nfs/dbraw/zinc/23/82/80/619238280.db2.gz FTXMVISAZSIYEO-OCCSQVGLSA-N 2 1 286.341 3.111 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000925822352 619268272 /nfs/dbraw/zinc/26/82/72/619268272.db2.gz LUMOVFWHBKAYJH-QGPMSJSTSA-N 2 1 287.451 3.433 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@]34C[C@H]3CCC4)CC[NH2+]2)cc1 ZINC000925881851 619306563 /nfs/dbraw/zinc/30/65/63/619306563.db2.gz VTLJMMFRSFZAJE-BDXSIMOUSA-N 2 1 270.420 3.260 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000925010199 619489582 /nfs/dbraw/zinc/48/95/82/619489582.db2.gz LGJYDJPTYXZTQE-UONOGXRCSA-N 2 1 272.392 3.425 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000925029193 619500575 /nfs/dbraw/zinc/50/05/75/619500575.db2.gz KELXISUFYKPHMB-VVLHAWIVSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000925029193 619500579 /nfs/dbraw/zinc/50/05/79/619500579.db2.gz KELXISUFYKPHMB-VVLHAWIVSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261951900 619501806 /nfs/dbraw/zinc/50/18/06/619501806.db2.gz GBDXNPUVIOURLP-OAHLLOKOSA-N 2 1 298.352 3.199 20 0 CGADMP CC[N@@H+](Cc1cc(Cl)cs1)[C@H]1CCC[NH2+]CC1 ZINC000262018945 619526733 /nfs/dbraw/zinc/52/67/33/619526733.db2.gz WAHXTFFOGIUHHX-LBPRGKRZSA-N 2 1 272.845 3.366 20 0 CGADMP C[C@H](CC[NH2+]Cc1cnc(-c2ccccc2)s1)[NH+](C)C ZINC000895297799 619798812 /nfs/dbraw/zinc/79/88/12/619798812.db2.gz PMHVZZLJTHKNID-CYBMUJFWSA-N 2 1 289.448 3.240 20 0 CGADMP Cc1ncsc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895377628 619816501 /nfs/dbraw/zinc/81/65/01/619816501.db2.gz OEFSJZPHIJOTJI-OCCSQVGLSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ncsc1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895377628 619816502 /nfs/dbraw/zinc/81/65/02/619816502.db2.gz OEFSJZPHIJOTJI-OCCSQVGLSA-N 2 1 281.469 3.004 20 0 CGADMP c1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c2c(c1)CCCN2 ZINC000895401807 619821110 /nfs/dbraw/zinc/82/11/10/619821110.db2.gz CGXLVPMHBYHRMQ-SFHVURJKSA-N 2 1 299.462 3.151 20 0 CGADMP COc1ccsc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895682121 619871951 /nfs/dbraw/zinc/87/19/51/619871951.db2.gz ATVJFFYRFUKQQR-UHFFFAOYSA-N 2 1 296.480 3.455 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797592043 620216861 /nfs/dbraw/zinc/21/68/61/620216861.db2.gz LHOKPBUONWFCEV-WFASDCNBSA-N 2 1 295.858 3.206 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797592043 620216864 /nfs/dbraw/zinc/21/68/64/620216864.db2.gz LHOKPBUONWFCEV-WFASDCNBSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797592043 620216867 /nfs/dbraw/zinc/21/68/67/620216867.db2.gz LHOKPBUONWFCEV-WFASDCNBSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797592043 620216869 /nfs/dbraw/zinc/21/68/69/620216869.db2.gz LHOKPBUONWFCEV-WFASDCNBSA-N 2 1 295.858 3.206 20 0 CGADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000035054343 620290211 /nfs/dbraw/zinc/29/02/11/620290211.db2.gz VFOLAWJYCOYKOF-UHFFFAOYSA-N 2 1 272.436 3.328 20 0 CGADMP c1cc2c(c(C[NH+]3CCC([NH2+]C4CCC4)CC3)c1)CCC2 ZINC000897982356 620462353 /nfs/dbraw/zinc/46/23/53/620462353.db2.gz KRAIJQIUYWHRDV-UHFFFAOYSA-N 2 1 284.447 3.282 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897985414 620462979 /nfs/dbraw/zinc/46/29/79/620462979.db2.gz MRECEMNAIVFDIY-UHFFFAOYSA-N 2 1 258.409 3.102 20 0 CGADMP FC1(F)CCC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000898031807 620469363 /nfs/dbraw/zinc/46/93/63/620469363.db2.gz OPZNMEQJJNFYGP-CABCVRRESA-N 2 1 286.410 3.418 20 0 CGADMP CSC1CC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000924684195 620562105 /nfs/dbraw/zinc/56/21/05/620562105.db2.gz COCWMAUBZCDLJW-WLYUNCDWSA-N 2 1 270.486 3.125 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000924688217 620563593 /nfs/dbraw/zinc/56/35/93/620563593.db2.gz RUZCQLXARGZLLS-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2[C@@H](C)CC[C@@H]2C)cn1 ZINC000924723239 620577654 /nfs/dbraw/zinc/57/76/54/620577654.db2.gz JZHRTDJEXHJHKQ-STQMWFEESA-N 2 1 284.407 3.100 20 0 CGADMP CCNc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000902043394 621113412 /nfs/dbraw/zinc/11/34/12/621113412.db2.gz RKSPZFDVVXJRIH-UHFFFAOYSA-N 2 1 275.440 3.084 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000902077738 621127227 /nfs/dbraw/zinc/12/72/27/621127227.db2.gz HVLYLVSFQJFFLM-UHFFFAOYSA-N 2 1 287.451 3.001 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000902198350 621190985 /nfs/dbraw/zinc/19/09/85/621190985.db2.gz CAMHMSWGXZSYMZ-MRXNPFEDSA-N 2 1 289.467 3.247 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000902332233 621267644 /nfs/dbraw/zinc/26/76/44/621267644.db2.gz DFRJJAAMVIUQCL-AWEZNQCLSA-N 2 1 293.455 3.446 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000902408558 621294073 /nfs/dbraw/zinc/29/40/73/621294073.db2.gz ZBDPBTQYTWEPHO-GXTWGEPZSA-N 2 1 264.800 3.057 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000902414594 621323624 /nfs/dbraw/zinc/32/36/24/621323624.db2.gz YBUJLOJYSAZCDZ-CYBMUJFWSA-N 2 1 284.325 3.237 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902754716 621425937 /nfs/dbraw/zinc/42/59/37/621425937.db2.gz GYJOTTHFSZDTHN-KRWDZBQOSA-N 2 1 293.455 3.013 20 0 CGADMP C(=C/c1ccccc1)\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903097128 621585741 /nfs/dbraw/zinc/58/57/41/621585741.db2.gz OZLCJVITVCTSKR-OOANYILRSA-N 2 1 282.431 3.447 20 0 CGADMP c1cncc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)c1 ZINC000903130707 621592176 /nfs/dbraw/zinc/59/21/76/621592176.db2.gz NXUZDQBXIOSREG-DQXYTYHJSA-N 2 1 297.446 3.280 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC(F)F ZINC000903193194 621620356 /nfs/dbraw/zinc/62/03/56/621620356.db2.gz TULZYEWAETWTDH-CRMUJIHISA-N 2 1 272.383 3.025 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC[C@H]2C[C@H]21 ZINC000903201315 621624984 /nfs/dbraw/zinc/62/49/84/621624984.db2.gz WXWSNSIVNCLVAQ-DHSXIMMHSA-N 2 1 274.452 3.170 20 0 CGADMP c1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CC2)nc1 ZINC000903207685 621629411 /nfs/dbraw/zinc/62/94/11/621629411.db2.gz ZEPOOPFOBWITKN-APWZRJJASA-N 2 1 299.462 3.244 20 0 CGADMP c1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)nc1 ZINC000903207685 621629414 /nfs/dbraw/zinc/62/94/14/621629414.db2.gz ZEPOOPFOBWITKN-APWZRJJASA-N 2 1 299.462 3.244 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCC13CC3)C2 ZINC000903210225 621630376 /nfs/dbraw/zinc/63/03/76/621630376.db2.gz VMVWGEPIGYOFPI-YPAMNDHTSA-N 2 1 260.425 3.067 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000903353095 621710619 /nfs/dbraw/zinc/71/06/19/621710619.db2.gz BNFZJYFEEZWNMK-VYDXJSESSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](COCC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903353095 621710624 /nfs/dbraw/zinc/71/06/24/621710624.db2.gz BNFZJYFEEZWNMK-VYDXJSESSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903377983 621721106 /nfs/dbraw/zinc/72/11/06/621721106.db2.gz AGVJNAWMKLORAR-RHSMWYFYSA-N 2 1 275.440 3.243 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC000903431808 621744067 /nfs/dbraw/zinc/74/40/67/621744067.db2.gz XSOGUSALYKJHET-APHBMKBZSA-N 2 1 262.372 3.090 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)C1 ZINC000903439040 621747842 /nfs/dbraw/zinc/74/78/42/621747842.db2.gz BVQBTXVRLMPQGS-IAOVAPTHSA-N 2 1 276.399 3.480 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000903439100 621748458 /nfs/dbraw/zinc/74/84/58/621748458.db2.gz DHZBRALIWPAHHD-FSDCSDTHSA-N 2 1 290.476 3.292 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903449863 621760358 /nfs/dbraw/zinc/76/03/58/621760358.db2.gz JCQGDVPDKZNUSD-NUEKZKHPSA-N 2 1 294.389 3.096 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2[nH]1 ZINC000903454363 621761446 /nfs/dbraw/zinc/76/14/46/621761446.db2.gz YZAHINJGRVQOPL-QZTJIDSGSA-N 2 1 297.446 3.380 20 0 CGADMP c1ccc(SCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903486227 621764058 /nfs/dbraw/zinc/76/40/58/621764058.db2.gz SWWYTLGBVOLAJD-OAHLLOKOSA-N 2 1 276.449 3.043 20 0 CGADMP COc1ccccc1C[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903724473 621796719 /nfs/dbraw/zinc/79/67/19/621796719.db2.gz NVQNFUKFSXIELD-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP COc1ccccc1C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903724473 621796721 /nfs/dbraw/zinc/79/67/21/621796721.db2.gz NVQNFUKFSXIELD-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903725261 621796726 /nfs/dbraw/zinc/79/67/26/621796726.db2.gz YLVYXSDCROQFSA-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903725258 621797054 /nfs/dbraw/zinc/79/70/54/621797054.db2.gz YLVYXSDCROQFSA-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903727578 621797159 /nfs/dbraw/zinc/79/71/59/621797159.db2.gz VLWDCSZBWUOYLF-IAGOWNOFSA-N 2 1 272.436 3.174 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000903742163 621801910 /nfs/dbraw/zinc/80/19/10/621801910.db2.gz VJSBBULGFFZLPJ-DLBZAZTESA-N 2 1 276.399 3.120 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccccc2F)CCC1 ZINC000903815898 621809426 /nfs/dbraw/zinc/80/94/26/621809426.db2.gz ULLDMYSNTQEDEX-INIZCTEOSA-N 2 1 276.399 3.309 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccnc(Cl)c2)CCC1 ZINC000903810753 621813609 /nfs/dbraw/zinc/81/36/09/621813609.db2.gz GTKHEHNAONZMRB-AWEZNQCLSA-N 2 1 293.842 3.219 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccnc(Cl)c2)CCC1 ZINC000903810753 621813613 /nfs/dbraw/zinc/81/36/13/621813613.db2.gz GTKHEHNAONZMRB-AWEZNQCLSA-N 2 1 293.842 3.219 20 0 CGADMP CCc1noc(C)c1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813410 621814870 /nfs/dbraw/zinc/81/48/70/621814870.db2.gz FNTPGRVAMNZKEU-INIZCTEOSA-N 2 1 291.439 3.029 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCCC2CC2)CCC1 ZINC000903812599 621814991 /nfs/dbraw/zinc/81/49/91/621814991.db2.gz UOPALDUNILLWMF-OAHLLOKOSA-N 2 1 250.430 3.160 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCCCC[NH3+])nc1 ZINC000903833929 621819016 /nfs/dbraw/zinc/81/90/16/621819016.db2.gz ZRRRJMWKPSHVEK-KRWDZBQOSA-N 2 1 291.439 3.136 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc3ccccc31)C2 ZINC000903843702 621819786 /nfs/dbraw/zinc/81/97/86/621819786.db2.gz QHQXZRAGWVQWRF-JQFCIGGWSA-N 2 1 266.388 3.151 20 0 CGADMP c1ccc2cc(CC[N@@H+]3CCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC000903865129 621822375 /nfs/dbraw/zinc/82/23/75/621822375.db2.gz AWDFFSIDCRFKCN-IBGZPJMESA-N 2 1 280.415 3.210 20 0 CGADMP c1ccc2cc(CC[N@H+]3CCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC000903865129 621822378 /nfs/dbraw/zinc/82/23/78/621822378.db2.gz AWDFFSIDCRFKCN-IBGZPJMESA-N 2 1 280.415 3.210 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000903891776 621824221 /nfs/dbraw/zinc/82/42/21/621824221.db2.gz CSMLTZXKXRTPQM-JZIBPQBNSA-N 2 1 293.480 3.283 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@H]([NH3+])CC(F)F)C(C)C)s1 ZINC000903886233 621826825 /nfs/dbraw/zinc/82/68/25/621826825.db2.gz ODDZFYMSPOIACN-LLVKDONJSA-N 2 1 276.396 3.249 20 0 CGADMP Cc1ccc(C[N@H+](C[C@H]([NH3+])CC(F)F)C(C)C)s1 ZINC000903886233 621826829 /nfs/dbraw/zinc/82/68/29/621826829.db2.gz ODDZFYMSPOIACN-LLVKDONJSA-N 2 1 276.396 3.249 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903896601 621829163 /nfs/dbraw/zinc/82/91/63/621829163.db2.gz VXHMBLDVVBWFOT-MCIONIFRSA-N 2 1 282.378 3.155 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903896601 621829164 /nfs/dbraw/zinc/82/91/64/621829164.db2.gz VXHMBLDVVBWFOT-MCIONIFRSA-N 2 1 282.378 3.155 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903899234 621830186 /nfs/dbraw/zinc/83/01/86/621830186.db2.gz RFPPZFQNJCTUNR-OLZOCXBDSA-N 2 1 262.388 3.260 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903899234 621830188 /nfs/dbraw/zinc/83/01/88/621830188.db2.gz RFPPZFQNJCTUNR-OLZOCXBDSA-N 2 1 262.388 3.260 20 0 CGADMP CCC1(CC)CCC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903916926 621836384 /nfs/dbraw/zinc/83/63/84/621836384.db2.gz WMMGWSBKXNIIEK-LBPRGKRZSA-N 2 1 262.388 3.261 20 0 CGADMP CCC1(CC)CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903916926 621836385 /nfs/dbraw/zinc/83/63/85/621836385.db2.gz WMMGWSBKXNIIEK-LBPRGKRZSA-N 2 1 262.388 3.261 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973094 621843729 /nfs/dbraw/zinc/84/37/29/621843729.db2.gz OEMSLLNWGAFSCH-ULQDDVLXSA-N 2 1 296.499 3.196 20 0 CGADMP CC(C)C[N@H+](Cc1ccccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903987996 621847787 /nfs/dbraw/zinc/84/77/87/621847787.db2.gz MAMGMNSTYRMCDF-ALOPSCKCSA-N 2 1 287.451 3.070 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCCC[C@@H]2c2ccccc2)C1 ZINC000904311880 621902837 /nfs/dbraw/zinc/90/28/37/621902837.db2.gz JVUAINTUWTYSFC-HYVNUMGLSA-N 2 1 258.409 3.341 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000904333364 621908839 /nfs/dbraw/zinc/90/88/39/621908839.db2.gz XYZALXMDMVYRTJ-KYOSRNDESA-N 2 1 298.352 3.232 20 0 CGADMP Cc1cccc([C@H]2CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904345557 621910204 /nfs/dbraw/zinc/91/02/04/621910204.db2.gz KCOAGKGCPRMTTB-ZWKOTPCHSA-N 2 1 272.436 3.174 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C(F)F)c(F)c1)C1CCCC1 ZINC000904358347 621913000 /nfs/dbraw/zinc/91/30/00/621913000.db2.gz LXCMKCXVOYRERX-CQSZACIVSA-N 2 1 286.341 3.370 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]([NH3+])CCC(C)(C)C)CCOCC2 ZINC000904373592 621914098 /nfs/dbraw/zinc/91/40/98/621914098.db2.gz GBLFRTODFBZDIW-CABCVRRESA-N 2 1 282.472 3.031 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(OC(F)F)cc1C ZINC000904405135 621918157 /nfs/dbraw/zinc/91/81/57/621918157.db2.gz FIFQBEPHJSBKGS-ZDUSSCGKSA-N 2 1 298.377 3.076 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c2ccccc12 ZINC000904412679 621918935 /nfs/dbraw/zinc/91/89/35/621918935.db2.gz WDUFCKHLYIXLJA-LSDHHAIUSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC000904430571 621921140 /nfs/dbraw/zinc/92/11/40/621921140.db2.gz JSMPAEZPGNSXDB-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC000904430571 621921145 /nfs/dbraw/zinc/92/11/45/621921145.db2.gz JSMPAEZPGNSXDB-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000149626592 622356632 /nfs/dbraw/zinc/35/66/32/622356632.db2.gz DYCATMNNKBJIIA-PBFPGSCMSA-N 2 1 274.383 3.029 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000158168496 623010292 /nfs/dbraw/zinc/01/02/92/623010292.db2.gz ORPFMUOHPRTNEH-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2C)C1 ZINC000929777187 623629464 /nfs/dbraw/zinc/62/94/64/623629464.db2.gz BWQQOCPNDLAHEY-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2C)C1 ZINC000929777187 623629470 /nfs/dbraw/zinc/62/94/70/623629470.db2.gz BWQQOCPNDLAHEY-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC)c2C)C1 ZINC000929777187 623629480 /nfs/dbraw/zinc/62/94/80/623629480.db2.gz BWQQOCPNDLAHEY-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2C)C1 ZINC000929777187 623629485 /nfs/dbraw/zinc/62/94/85/623629485.db2.gz BWQQOCPNDLAHEY-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929777777 623630395 /nfs/dbraw/zinc/63/03/95/623630395.db2.gz COAJNQRFCHQWKL-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929777777 623630404 /nfs/dbraw/zinc/63/04/04/623630404.db2.gz COAJNQRFCHQWKL-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929777777 623630410 /nfs/dbraw/zinc/63/04/10/623630410.db2.gz COAJNQRFCHQWKL-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1C[C@H]1C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000754142470 623816249 /nfs/dbraw/zinc/81/62/49/623816249.db2.gz GHNYNFSCJXFLAI-GJZGRUSLSA-N 2 1 287.451 3.285 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCc2ccccc2)C1 ZINC000920181377 624453771 /nfs/dbraw/zinc/45/37/71/624453771.db2.gz UHHVKEZXOOINNG-MRXNPFEDSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCc2ccccc2)C1 ZINC000920181377 624453776 /nfs/dbraw/zinc/45/37/76/624453776.db2.gz UHHVKEZXOOINNG-MRXNPFEDSA-N 2 1 274.452 3.329 20 0 CGADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000921791200 625876341 /nfs/dbraw/zinc/87/63/41/625876341.db2.gz RKDTZZMUAYGFIP-ALOPSCKCSA-N 2 1 288.435 3.109 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cnc3ccccc3c2)CC1(C)C ZINC000922706131 626035088 /nfs/dbraw/zinc/03/50/88/626035088.db2.gz PYSBJICMBMBZCQ-QGZVFWFLSA-N 2 1 297.446 3.240 20 0 CGADMP C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923316030 626144943 /nfs/dbraw/zinc/14/49/43/626144943.db2.gz DAJIOQKZDAWNLC-VEDBGLOESA-N 2 1 294.508 3.267 20 0 CGADMP CC(C)[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccn1 ZINC000923322947 626145667 /nfs/dbraw/zinc/14/56/67/626145667.db2.gz SOWAMIWWLUKDGH-ALOPSCKCSA-N 2 1 287.451 3.213 20 0 CGADMP c1cc([C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000923375050 626149170 /nfs/dbraw/zinc/14/91/70/626149170.db2.gz XNNRMJYOTFVVPX-NXCDMZCRSA-N 2 1 285.435 3.139 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000923481336 626156919 /nfs/dbraw/zinc/15/69/19/626156919.db2.gz PXWSTISTEHJPLN-GFCCVEGCSA-N 2 1 284.856 3.103 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000923492461 626157839 /nfs/dbraw/zinc/15/78/39/626157839.db2.gz OXIKLCDDTZZSOZ-CYBMUJFWSA-N 2 1 298.883 3.493 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495663 626157946 /nfs/dbraw/zinc/15/79/46/626157946.db2.gz DRPMNDDZINVANT-BFQNTYOBSA-N 2 1 282.378 3.333 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497676 626158282 /nfs/dbraw/zinc/15/82/82/626158282.db2.gz IVWOSUHOQGDPBL-CJNGLKHVSA-N 2 1 299.418 3.067 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000923493621 626158813 /nfs/dbraw/zinc/15/88/13/626158813.db2.gz TZENAKAMPHKPNG-MRXNPFEDSA-N 2 1 298.430 3.279 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498880 626158927 /nfs/dbraw/zinc/15/89/27/626158927.db2.gz QNOZMFHGQBIGDV-JGGQBBKZSA-N 2 1 264.388 3.194 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923501743 626159305 /nfs/dbraw/zinc/15/93/05/626159305.db2.gz UXTXZDLTVBRMKV-WCQYABFASA-N 2 1 286.341 3.122 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000753856682 626467832 /nfs/dbraw/zinc/46/78/32/626467832.db2.gz AVTSGUCEBDSSPQ-AHIWAGSCSA-N 2 1 294.389 3.415 20 0 CGADMP Cc1nc(NCCCC[NH+]2CCC(C)CC2)c(C)c(C)[nH+]1 ZINC000761879672 627070750 /nfs/dbraw/zinc/07/07/50/627070750.db2.gz ANGUOMBJDDWCKU-UHFFFAOYSA-N 2 1 290.455 3.326 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CC[N@H+]1C ZINC000764591639 627213662 /nfs/dbraw/zinc/21/36/62/627213662.db2.gz XUVOTYRODPLMBH-QCAJKXFRSA-N 2 1 276.468 3.275 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000764806283 627225393 /nfs/dbraw/zinc/22/53/93/627225393.db2.gz MZTUSHCBNVTVIC-LBPRGKRZSA-N 2 1 269.820 3.116 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000764806283 627225394 /nfs/dbraw/zinc/22/53/94/627225394.db2.gz MZTUSHCBNVTVIC-LBPRGKRZSA-N 2 1 269.820 3.116 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000764966345 627234454 /nfs/dbraw/zinc/23/44/54/627234454.db2.gz OTTWSINLRVSLBK-BMGDILEWSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000764966345 627234455 /nfs/dbraw/zinc/23/44/55/627234455.db2.gz OTTWSINLRVSLBK-BMGDILEWSA-N 2 1 288.435 3.363 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000765472054 627251343 /nfs/dbraw/zinc/25/13/43/627251343.db2.gz JTDLNZSZXVPBQT-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nc(C)sc32)[C@@H](C)C1 ZINC000766258732 627308093 /nfs/dbraw/zinc/30/80/93/627308093.db2.gz PWCGFPNVTPWZNC-CORIIIEPSA-N 2 1 293.480 3.149 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nc(C)sc32)[C@@H](C)C1 ZINC000766258732 627308098 /nfs/dbraw/zinc/30/80/98/627308098.db2.gz PWCGFPNVTPWZNC-CORIIIEPSA-N 2 1 293.480 3.149 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cncc3ccccc32)C1 ZINC000769514281 627561844 /nfs/dbraw/zinc/56/18/44/627561844.db2.gz IMOISFLHTZSEIX-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769514281 627561845 /nfs/dbraw/zinc/56/18/45/627561845.db2.gz IMOISFLHTZSEIX-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769514281 627561847 /nfs/dbraw/zinc/56/18/47/627561847.db2.gz IMOISFLHTZSEIX-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000769514281 627561849 /nfs/dbraw/zinc/56/18/49/627561849.db2.gz IMOISFLHTZSEIX-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000769514281 627561850 /nfs/dbraw/zinc/56/18/50/627561850.db2.gz IMOISFLHTZSEIX-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000769877436 627586644 /nfs/dbraw/zinc/58/66/44/627586644.db2.gz WPIIEDPMVBXRPR-KGLIPLIRSA-N 2 1 293.455 3.318 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc[nH]1 ZINC000773120732 627858969 /nfs/dbraw/zinc/85/89/69/627858969.db2.gz RDDYZEAEFHOZEJ-CQSZACIVSA-N 2 1 275.440 3.462 20 0 CGADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774190503 627959142 /nfs/dbraw/zinc/95/91/42/627959142.db2.gz MNNYKXRKTKHQPV-OZSLIKBDSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000783224778 628690302 /nfs/dbraw/zinc/69/03/02/628690302.db2.gz RSPVMNQDRMIOGY-YJBOKZPZSA-N 2 1 272.436 3.348 20 0 CGADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCCCCOc1ccccc1 ZINC000783655362 628735817 /nfs/dbraw/zinc/73/58/17/628735817.db2.gz KQOVDCBUIWYHJD-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CCCCCOc1ccccc1 ZINC000783655362 628735820 /nfs/dbraw/zinc/73/58/20/628735820.db2.gz KQOVDCBUIWYHJD-QGZVFWFLSA-N 2 1 290.451 3.310 20 0 CGADMP CCC[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000788470749 629056660 /nfs/dbraw/zinc/05/66/60/629056660.db2.gz MXISJBPCPLGFAK-UHFFFAOYSA-N 2 1 260.425 3.240 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000788475127 629057412 /nfs/dbraw/zinc/05/74/12/629057412.db2.gz BHMYUAROAKPAPR-SFHVURJKSA-N 2 1 290.426 3.174 20 0 CGADMP Cc1c(C[NH2+]CCC[N@@H+](C)C2CCCCC2)ccnc1F ZINC000862264614 629334615 /nfs/dbraw/zinc/33/46/15/629334615.db2.gz YJLQVCMWQNZBQQ-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1c(C[NH2+]CCC[N@H+](C)C2CCCCC2)ccnc1F ZINC000862264614 629334618 /nfs/dbraw/zinc/33/46/18/629334618.db2.gz YJLQVCMWQNZBQQ-UHFFFAOYSA-N 2 1 293.430 3.273 20 0 CGADMP Cc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc(Cl)n1 ZINC000797601400 629968258 /nfs/dbraw/zinc/96/82/58/629968258.db2.gz GKBGYPJECGBXAZ-UHFFFAOYSA-N 2 1 295.858 3.255 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000865601022 630213302 /nfs/dbraw/zinc/21/33/02/630213302.db2.gz XHDPDSAYOFLIQV-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900262 632231555 /nfs/dbraw/zinc/23/15/55/632231555.db2.gz LTJDYLDQROVVRZ-HIEASXQVSA-N 2 1 293.499 3.033 20 0 CGADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817904912 632232472 /nfs/dbraw/zinc/23/24/72/632232472.db2.gz HIRLRBSGZXZYIT-MAAHGYRXSA-N 2 1 296.414 3.233 20 0 CGADMP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)[C@@H]1CCCCN1 ZINC000817914121 632235019 /nfs/dbraw/zinc/23/50/19/632235019.db2.gz QYNJCMFNWIEVIZ-MSOLQXFVSA-N 2 1 295.515 3.153 20 0 CGADMP Cc1nc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c(C)s1 ZINC000817948015 632244653 /nfs/dbraw/zinc/24/46/53/632244653.db2.gz IHKJHSVZHTYSCU-NSHDSACASA-N 2 1 289.448 3.112 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1C ZINC000817957805 632253059 /nfs/dbraw/zinc/25/30/59/632253059.db2.gz FAAAEFGAAJFPBC-LSDHHAIUSA-N 2 1 278.440 3.336 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)nc1 ZINC000817958723 632253395 /nfs/dbraw/zinc/25/33/95/632253395.db2.gz MAQUJJCEUDVAFL-RISCZKNCSA-N 2 1 281.831 3.293 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000817963505 632258581 /nfs/dbraw/zinc/25/85/81/632258581.db2.gz SOSUYSFMPBWGFH-CJNGLKHVSA-N 2 1 294.439 3.010 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000817981216 632271834 /nfs/dbraw/zinc/27/18/34/632271834.db2.gz HGTKOTPQLVMONQ-DLBZAZTESA-N 2 1 258.409 3.089 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000818335738 632309844 /nfs/dbraw/zinc/30/98/44/632309844.db2.gz ZWJDJHCTBLAJCZ-AGIUHOORSA-N 2 1 291.266 3.034 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818616357 632341159 /nfs/dbraw/zinc/34/11/59/632341159.db2.gz VGESBLZLFYRFDS-KCPJHIHWSA-N 2 1 250.361 3.055 20 0 CGADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000821372881 632759537 /nfs/dbraw/zinc/75/95/37/632759537.db2.gz AUGFQYFDIQZITK-VSZNYVQBSA-N 2 1 294.483 3.140 20 0 CGADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)CC[C@H]1CCCC[NH+]1C ZINC000822640508 632995818 /nfs/dbraw/zinc/99/58/18/632995818.db2.gz ZXXMPRNADVTWIJ-CHWSQXEVSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000822640508 632995841 /nfs/dbraw/zinc/99/58/41/632995841.db2.gz ZXXMPRNADVTWIJ-CHWSQXEVSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)CC[C@H]1CCCC[N@H+]1C ZINC000822640508 632995854 /nfs/dbraw/zinc/99/58/54/632995854.db2.gz ZXXMPRNADVTWIJ-CHWSQXEVSA-N 2 1 293.282 3.377 20 0 CGADMP Cc1ccc2ccnc(N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)c2c1 ZINC000866208393 633029401 /nfs/dbraw/zinc/02/94/01/633029401.db2.gz ITMVUKZUFXILRU-RDJZCZTQSA-N 2 1 281.403 3.074 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866258764 633047448 /nfs/dbraw/zinc/04/74/48/633047448.db2.gz AKJZUAMJIUMZST-CVEARBPZSA-N 2 1 285.435 3.357 20 0 CGADMP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000866316501 633080254 /nfs/dbraw/zinc/08/02/54/633080254.db2.gz ZQICNRSZOLBLNO-FZKQIMNGSA-N 2 1 288.410 3.301 20 0 CGADMP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000866341903 633088543 /nfs/dbraw/zinc/08/85/43/633088543.db2.gz PZNQMGFKZNEKOP-SJKOYZFVSA-N 2 1 287.382 3.015 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866451001 633140267 /nfs/dbraw/zinc/14/02/67/633140267.db2.gz CMTLROCOIBTMLD-ZGRYLRDCSA-N 2 1 296.499 3.433 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000823850454 633158903 /nfs/dbraw/zinc/15/89/03/633158903.db2.gz DIMNLCJDPXMUNX-FZCLSBEQSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cncc([C@H]2CCC[N@H+]2CCCCCCC[NH3+])c1 ZINC000866721718 633236508 /nfs/dbraw/zinc/23/65/08/633236508.db2.gz XZUPEUPUEYRFMO-QGZVFWFLSA-N 2 1 275.440 3.436 20 0 CGADMP c1cc(C[N@@H+]2CCCC3(CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000825634566 633369382 /nfs/dbraw/zinc/36/93/82/633369382.db2.gz ORNWDUHBYPJWTF-UHFFFAOYSA-N 2 1 296.418 3.424 20 0 CGADMP c1cc(C[N@H+]2CCCC3(CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000825634566 633369387 /nfs/dbraw/zinc/36/93/87/633369387.db2.gz ORNWDUHBYPJWTF-UHFFFAOYSA-N 2 1 296.418 3.424 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@]1(C)CC1(Cl)Cl ZINC000827899103 633532520 /nfs/dbraw/zinc/53/25/20/633532520.db2.gz AJAPZUKOQHSIJT-CHWSQXEVSA-N 2 1 293.282 3.377 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@]1(C)CC1(Cl)Cl ZINC000827899103 633532525 /nfs/dbraw/zinc/53/25/25/633532525.db2.gz AJAPZUKOQHSIJT-CHWSQXEVSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@]1(C)CC1(Cl)Cl ZINC000827899103 633532526 /nfs/dbraw/zinc/53/25/26/633532526.db2.gz AJAPZUKOQHSIJT-CHWSQXEVSA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@]1(C)CC1(Cl)Cl ZINC000827899103 633532530 /nfs/dbraw/zinc/53/25/30/633532530.db2.gz AJAPZUKOQHSIJT-CHWSQXEVSA-N 2 1 293.282 3.377 20 0 CGADMP CC(C)C[C@@H](C)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785052 633863584 /nfs/dbraw/zinc/86/35/84/633863584.db2.gz OVZPHBQKBGAYCV-FFHGMXDLSA-N 2 1 281.444 3.040 20 0 CGADMP CC(C)C[C@@H](C)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785052 633863587 /nfs/dbraw/zinc/86/35/87/633863587.db2.gz OVZPHBQKBGAYCV-FFHGMXDLSA-N 2 1 281.444 3.040 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCOC1 ZINC000872024215 633944350 /nfs/dbraw/zinc/94/43/50/633944350.db2.gz YUBXMOUPLOMEDR-KURKYZTESA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872037469 633957118 /nfs/dbraw/zinc/95/71/18/633957118.db2.gz BVZQALFCMKHMQF-UTUOFQBUSA-N 2 1 266.351 3.180 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000872037469 633957120 /nfs/dbraw/zinc/95/71/20/633957120.db2.gz BVZQALFCMKHMQF-UTUOFQBUSA-N 2 1 266.351 3.180 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCCOC1 ZINC000872053815 633976520 /nfs/dbraw/zinc/97/65/20/633976520.db2.gz WVMRALJRSNRHQU-KURKYZTESA-N 2 1 296.499 3.149 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872074303 633996482 /nfs/dbraw/zinc/99/64/82/633996482.db2.gz ZVPQVOADSDKSNR-BZUAXINKSA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872074303 633996491 /nfs/dbraw/zinc/99/64/91/633996491.db2.gz ZVPQVOADSDKSNR-BZUAXINKSA-N 2 1 284.488 3.290 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156415 634067312 /nfs/dbraw/zinc/06/73/12/634067312.db2.gz JFBMDKHGBPCXJI-FUHWJXTLSA-N 3 1 295.515 3.125 20 0 CGADMP Cc1conc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157719 634068292 /nfs/dbraw/zinc/06/82/92/634068292.db2.gz PVWHMKKKCKBGKF-ZBFHGGJFSA-N 2 1 291.439 3.103 20 0 CGADMP CC(C)(C)[N@H+]1CCCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872432303 634143586 /nfs/dbraw/zinc/14/35/86/634143586.db2.gz XFAJWEWZBDZPGE-UHFFFAOYSA-N 2 1 273.424 3.270 20 0 CGADMP C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213556 634286302 /nfs/dbraw/zinc/28/63/02/634286302.db2.gz HMLSYCNVMKTNIO-LLVKDONJSA-N 2 1 264.438 3.014 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000873223589 634290703 /nfs/dbraw/zinc/29/07/03/634290703.db2.gz OMZPNUUZPPGURO-LJQANCHMSA-N 2 1 297.446 3.432 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841087475 635119711 /nfs/dbraw/zinc/11/97/11/635119711.db2.gz OFOZKAGJPBCRTR-LPHOPBHVSA-N 2 1 295.430 3.199 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000877738115 635171453 /nfs/dbraw/zinc/17/14/53/635171453.db2.gz AASUPIIBQXUURY-MSOLQXFVSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000877738115 635171462 /nfs/dbraw/zinc/17/14/62/635171462.db2.gz AASUPIIBQXUURY-MSOLQXFVSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000877738115 635171465 /nfs/dbraw/zinc/17/14/65/635171465.db2.gz AASUPIIBQXUURY-MSOLQXFVSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000877738115 635171468 /nfs/dbraw/zinc/17/14/68/635171468.db2.gz AASUPIIBQXUURY-MSOLQXFVSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000877743131 635178803 /nfs/dbraw/zinc/17/88/03/635178803.db2.gz ILDKLKJQPMTZBW-ZFWWWQNUSA-N 2 1 298.352 3.231 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000877743131 635178808 /nfs/dbraw/zinc/17/88/08/635178808.db2.gz ILDKLKJQPMTZBW-ZFWWWQNUSA-N 2 1 298.352 3.231 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000877743131 635178813 /nfs/dbraw/zinc/17/88/13/635178813.db2.gz ILDKLKJQPMTZBW-ZFWWWQNUSA-N 2 1 298.352 3.231 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000877743131 635178818 /nfs/dbraw/zinc/17/88/18/635178818.db2.gz ILDKLKJQPMTZBW-ZFWWWQNUSA-N 2 1 298.352 3.231 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744971 635180824 /nfs/dbraw/zinc/18/08/24/635180824.db2.gz YTYZUBYQFLIXDJ-FUHWJXTLSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744971 635180828 /nfs/dbraw/zinc/18/08/28/635180828.db2.gz YTYZUBYQFLIXDJ-FUHWJXTLSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744971 635180830 /nfs/dbraw/zinc/18/08/30/635180830.db2.gz YTYZUBYQFLIXDJ-FUHWJXTLSA-N 2 1 270.420 3.090 20 0 CGADMP CN(Cc1cc(C(F)(F)F)co1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878125106 635368054 /nfs/dbraw/zinc/36/80/54/635368054.db2.gz LTCJACVZHVQKFW-LLVKDONJSA-N 2 1 290.329 3.072 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC1(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000878126661 635368447 /nfs/dbraw/zinc/36/84/47/635368447.db2.gz WPSVKPNJDPVOFL-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC[C@H]1CCCC1(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000878126661 635368452 /nfs/dbraw/zinc/36/84/52/635368452.db2.gz WPSVKPNJDPVOFL-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC[C@H]1CCCC1(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878126661 635368462 /nfs/dbraw/zinc/36/84/62/635368462.db2.gz WPSVKPNJDPVOFL-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H](c2ccccc2)O1 ZINC000842471943 635376551 /nfs/dbraw/zinc/37/65/51/635376551.db2.gz IMIUPVKUXYFIQP-SJLPKXTDSA-N 2 1 290.451 3.358 20 0 CGADMP [NH3+]CCCCCCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000842473498 635377218 /nfs/dbraw/zinc/37/72/18/635377218.db2.gz WIUFIFLQGIMSFE-KRWDZBQOSA-N 2 1 282.472 3.319 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC000878166738 635390882 /nfs/dbraw/zinc/39/08/82/635390882.db2.gz DJSDKOKJSAFDBZ-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878166738 635390888 /nfs/dbraw/zinc/39/08/88/635390888.db2.gz DJSDKOKJSAFDBZ-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878166738 635390896 /nfs/dbraw/zinc/39/08/96/635390896.db2.gz DJSDKOKJSAFDBZ-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)s1)C1CCC([NH3+])CC1 ZINC000843054798 635551848 /nfs/dbraw/zinc/55/18/48/635551848.db2.gz IIKMKTVUYPDYGC-UHFFFAOYSA-N 2 1 292.370 3.469 20 0 CGADMP CC[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843055746 635553092 /nfs/dbraw/zinc/55/30/92/635553092.db2.gz NUUZJJLKDTXEIJ-OOHWJJMZSA-N 2 1 260.425 3.382 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000879203692 635724635 /nfs/dbraw/zinc/72/46/35/635724635.db2.gz UDBAZEUVKSGLHU-INIZCTEOSA-N 2 1 292.467 3.038 20 0 CGADMP CC(C)C[N@@H+](CC1CC(F)(F)C1)CC1CC[NH+](C)CC1 ZINC000879703401 635838765 /nfs/dbraw/zinc/83/87/65/635838765.db2.gz LEBGOGMUKYHZJO-UHFFFAOYSA-N 2 1 288.426 3.332 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879735591 635848175 /nfs/dbraw/zinc/84/81/75/635848175.db2.gz ZWSNCOAFKPGVSV-INIZCTEOSA-N 2 1 291.439 3.053 20 0 CGADMP CC1([NH+]2CCCCC2)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000879951718 635887045 /nfs/dbraw/zinc/88/70/45/635887045.db2.gz NWXGJWLZSCDQSM-UHFFFAOYSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997911 635893750 /nfs/dbraw/zinc/89/37/50/635893750.db2.gz YAXUGUPQWZQMGD-HKUYNNGSSA-N 2 1 284.447 3.061 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997911 635893752 /nfs/dbraw/zinc/89/37/52/635893752.db2.gz YAXUGUPQWZQMGD-HKUYNNGSSA-N 2 1 284.447 3.061 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997911 635893753 /nfs/dbraw/zinc/89/37/53/635893753.db2.gz YAXUGUPQWZQMGD-HKUYNNGSSA-N 2 1 284.447 3.061 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880204212 635936865 /nfs/dbraw/zinc/93/68/65/635936865.db2.gz SAHSWJAGKMULTB-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880204212 635936868 /nfs/dbraw/zinc/93/68/68/635936868.db2.gz SAHSWJAGKMULTB-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)c1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000844904098 635981254 /nfs/dbraw/zinc/98/12/54/635981254.db2.gz AXUWLEIBWKTJLU-UHFFFAOYSA-N 2 1 293.411 3.154 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@H](C)c1ccc(Cl)nc1 ZINC000846176314 636153595 /nfs/dbraw/zinc/15/35/95/636153595.db2.gz DNCHBGDCGBDMCY-CYBMUJFWSA-N 2 1 283.847 3.364 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000846176314 636153599 /nfs/dbraw/zinc/15/35/99/636153599.db2.gz DNCHBGDCGBDMCY-CYBMUJFWSA-N 2 1 283.847 3.364 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000846176314 636153603 /nfs/dbraw/zinc/15/36/03/636153603.db2.gz DNCHBGDCGBDMCY-CYBMUJFWSA-N 2 1 283.847 3.364 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846218582 636161056 /nfs/dbraw/zinc/16/10/56/636161056.db2.gz ZDHADMAJQZVUDZ-QGZVFWFLSA-N 2 1 276.424 3.351 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000846217986 636161083 /nfs/dbraw/zinc/16/10/83/636161083.db2.gz QVADYJLREKQLPQ-MRXNPFEDSA-N 2 1 278.465 3.296 20 0 CGADMP Cc1ccccc1[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@H](C)CO1 ZINC000846219618 636162097 /nfs/dbraw/zinc/16/20/97/636162097.db2.gz UENCNYKXXQBQKF-AEFFLSMTSA-N 2 1 290.451 3.276 20 0 CGADMP CC1(C)C[N@@H+](CCCCCC[NH3+])CC[C@H]1C(F)(F)F ZINC000846223775 636163038 /nfs/dbraw/zinc/16/30/38/636163038.db2.gz OASXRASQKOJRKG-GFCCVEGCSA-N 2 1 280.378 3.416 20 0 CGADMP C[NH+](C)CCC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846779398 636238792 /nfs/dbraw/zinc/23/87/92/636238792.db2.gz DDLNCIHQCKKMIW-UHFFFAOYSA-N 2 1 299.821 3.038 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130211625 636433692 /nfs/dbraw/zinc/43/36/92/636433692.db2.gz SLWLGEPBTCFEQE-VNQPRFMTSA-N 2 1 292.854 3.487 20 0 CGADMP C=C/C=C\CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000883259862 636629666 /nfs/dbraw/zinc/62/96/66/636629666.db2.gz BHNJYOYVPVTFHX-ARJAWSKDSA-N 2 1 284.447 3.415 20 0 CGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000849060415 636735978 /nfs/dbraw/zinc/73/59/78/636735978.db2.gz VXPWYNOPHYLAHS-HNNXBMFYSA-N 2 1 284.492 3.045 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+]1CCCC1 ZINC000885920931 637311827 /nfs/dbraw/zinc/31/18/27/637311827.db2.gz LQHDRHKBCJIJLP-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885918942 637312231 /nfs/dbraw/zinc/31/22/31/637312231.db2.gz FAGWJVHYWMTYJA-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000885946969 637325429 /nfs/dbraw/zinc/32/54/29/637325429.db2.gz WSEHKNKLFOOIPF-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000885946969 637325431 /nfs/dbraw/zinc/32/54/31/637325431.db2.gz WSEHKNKLFOOIPF-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885954020 637329782 /nfs/dbraw/zinc/32/97/82/637329782.db2.gz LICBHEZCJCFVLK-NBUZRDOWSA-N 2 1 276.399 3.159 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885954168 637329811 /nfs/dbraw/zinc/32/98/11/637329811.db2.gz PQDQYPXHSRXYPY-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027065 637372250 /nfs/dbraw/zinc/37/22/50/637372250.db2.gz BWIFGZANRMYVJU-JQHSSLGASA-N 2 1 276.468 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027065 637372252 /nfs/dbraw/zinc/37/22/52/637372252.db2.gz BWIFGZANRMYVJU-JQHSSLGASA-N 2 1 276.468 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027065 637372253 /nfs/dbraw/zinc/37/22/53/637372253.db2.gz BWIFGZANRMYVJU-JQHSSLGASA-N 2 1 276.468 3.086 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCC3)CO2)C[C@H]1C ZINC000886033543 637377102 /nfs/dbraw/zinc/37/71/02/637377102.db2.gz WSJDEHMXZSMCBN-IKGGRYGDSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC3(CCC3)CO2)C[C@H]1C ZINC000886033543 637377107 /nfs/dbraw/zinc/37/71/07/637377107.db2.gz WSJDEHMXZSMCBN-IKGGRYGDSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC3(CCC3)CO2)C[C@H]1C ZINC000886033543 637377114 /nfs/dbraw/zinc/37/71/14/637377114.db2.gz WSJDEHMXZSMCBN-IKGGRYGDSA-N 2 1 294.483 3.140 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886114467 637421892 /nfs/dbraw/zinc/42/18/92/637421892.db2.gz PRBJVAYQBQHQNP-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886114467 637421899 /nfs/dbraw/zinc/42/18/99/637421899.db2.gz PRBJVAYQBQHQNP-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886138321 637431264 /nfs/dbraw/zinc/43/12/64/637431264.db2.gz HQEPEWRFEZSSAU-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886138321 637431265 /nfs/dbraw/zinc/43/12/65/637431265.db2.gz HQEPEWRFEZSSAU-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886505233 637545606 /nfs/dbraw/zinc/54/56/06/637545606.db2.gz QSOPZISRPMNHKA-UXLLHSPISA-N 2 1 287.451 3.027 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCc3cccnc32)C1 ZINC000886505233 637545608 /nfs/dbraw/zinc/54/56/08/637545608.db2.gz QSOPZISRPMNHKA-UXLLHSPISA-N 2 1 287.451 3.027 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000300328866 637832430 /nfs/dbraw/zinc/83/24/30/637832430.db2.gz QCIAUTOMASVKKK-FJIDUMEYSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000300328866 637832435 /nfs/dbraw/zinc/83/24/35/637832435.db2.gz QCIAUTOMASVKKK-FJIDUMEYSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[NH+]1CCCCC1 ZINC000924539837 638356964 /nfs/dbraw/zinc/35/69/64/638356964.db2.gz HJMBQUQTBJQKCR-GOOCMWNKSA-N 2 1 282.497 3.267 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000924572033 638366217 /nfs/dbraw/zinc/36/62/17/638366217.db2.gz PZTKNGSQDQHNGH-NXHRZFHOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]1COC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000924660724 638385516 /nfs/dbraw/zinc/38/55/16/638385516.db2.gz ZRXKLCYKADNZGZ-MAUKXSAKSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H]1CC2(CC([NH2+]C[C@@]3([NH+](C)C)CCC[C@@H](C)C3)C2)CO1 ZINC000924737383 638396565 /nfs/dbraw/zinc/39/65/65/638396565.db2.gz GTQXHQRAWZABBX-YFVGIKETSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000924752386 638400194 /nfs/dbraw/zinc/40/01/94/638400194.db2.gz NHLXWGDDKORSRV-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2cccc(C)c21 ZINC000924955024 638431121 /nfs/dbraw/zinc/43/11/21/638431121.db2.gz ZJDPXYKVKZVPQN-DYVFJYSZSA-N 2 1 283.419 3.413 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000924961044 638432923 /nfs/dbraw/zinc/43/29/23/638432923.db2.gz SMKXSTFCTNHQHZ-DOMZBBRYSA-N 2 1 279.428 3.062 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000924961044 638432930 /nfs/dbraw/zinc/43/29/30/638432930.db2.gz SMKXSTFCTNHQHZ-DOMZBBRYSA-N 2 1 279.428 3.062 20 0 CGADMP CCc1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)on1 ZINC000925130463 638458036 /nfs/dbraw/zinc/45/80/36/638458036.db2.gz UIPKIHIZXBYUTQ-ZDUSSCGKSA-N 2 1 287.407 3.149 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCCC(F)(F)F)c1ccccc1 ZINC000925604298 638542270 /nfs/dbraw/zinc/54/22/70/638542270.db2.gz IVRRZRYIGVWAGP-JQWIXIFHSA-N 2 1 260.303 3.007 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCCc1cccs1)c1ccccc1 ZINC000925629949 638549179 /nfs/dbraw/zinc/54/91/79/638549179.db2.gz NMMLPHMQYGEUBM-BBRMVZONSA-N 2 1 274.433 3.359 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000925720322 638580446 /nfs/dbraw/zinc/58/04/46/638580446.db2.gz GJQAMMVRGNMPPD-UHTWSYAYSA-N 2 1 287.234 3.248 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C12CCC2 ZINC000925731017 638585666 /nfs/dbraw/zinc/58/56/66/638585666.db2.gz RIBZQLFGHCOWHD-NXEZZACHSA-N 2 1 290.354 3.126 20 0 CGADMP Clc1cscc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925770622 638604191 /nfs/dbraw/zinc/60/41/91/638604191.db2.gz JMQAJNJULAUYKT-KWCYVHTRSA-N 2 1 284.856 3.412 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000925778902 638610946 /nfs/dbraw/zinc/61/09/46/638610946.db2.gz UYPQIIXFYHODHP-RYUDHWBXSA-N 2 1 274.380 3.034 20 0 CGADMP CC1([NH+]2CCC2)CCC([NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000925862045 638634019 /nfs/dbraw/zinc/63/40/19/638634019.db2.gz WPXKYUNYOJLJAQ-MJGSYPLASA-N 2 1 299.462 3.128 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cn(C(F)F)c3ccccc23)CC1 ZINC000858291562 638673355 /nfs/dbraw/zinc/67/33/55/638673355.db2.gz CODUBSTXMIFNGZ-UHFFFAOYSA-N 2 1 293.361 3.220 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)nc1 ZINC000858490487 638740771 /nfs/dbraw/zinc/74/07/71/638740771.db2.gz ILMXOODDQOLALN-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)nc1 ZINC000858490487 638740778 /nfs/dbraw/zinc/74/07/78/638740778.db2.gz ILMXOODDQOLALN-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnn1C1CCC1 ZINC000926561376 638785233 /nfs/dbraw/zinc/78/52/33/638785233.db2.gz XPHCVQUXJONHSV-AWEZNQCLSA-N 2 1 290.455 3.133 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000926572888 638786745 /nfs/dbraw/zinc/78/67/45/638786745.db2.gz ICBTXTWBOKUATD-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC(F)(F)C1 ZINC000926895970 638822483 /nfs/dbraw/zinc/82/24/83/638822483.db2.gz CAXPHJCPDAFMKJ-DOMZBBRYSA-N 2 1 297.393 3.098 20 0 CGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CC(F)(F)C1 ZINC000926895970 638822484 /nfs/dbraw/zinc/82/24/84/638822484.db2.gz CAXPHJCPDAFMKJ-DOMZBBRYSA-N 2 1 297.393 3.098 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000930171129 638978950 /nfs/dbraw/zinc/97/89/50/638978950.db2.gz LLVSGMCOVGHEPX-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000930171129 638978951 /nfs/dbraw/zinc/97/89/51/638978951.db2.gz LLVSGMCOVGHEPX-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930557601 639025524 /nfs/dbraw/zinc/02/55/24/639025524.db2.gz GTMQFMLJXCAUBL-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930557601 639025527 /nfs/dbraw/zinc/02/55/27/639025527.db2.gz GTMQFMLJXCAUBL-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930557601 639025531 /nfs/dbraw/zinc/02/55/31/639025531.db2.gz GTMQFMLJXCAUBL-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930557601 639025536 /nfs/dbraw/zinc/02/55/36/639025536.db2.gz GTMQFMLJXCAUBL-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000930602318 639036152 /nfs/dbraw/zinc/03/61/52/639036152.db2.gz PVNSEUSYWYUMTH-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000930602318 639036156 /nfs/dbraw/zinc/03/61/56/639036156.db2.gz PVNSEUSYWYUMTH-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP CN1C[C@]2(C)C[N@@H+](Cc3cccc4ncccc34)C[C@]2(C)C1 ZINC000931319720 639134368 /nfs/dbraw/zinc/13/43/68/639134368.db2.gz YTQKQDHVGKQVLY-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](Cc3cccc4ncccc34)C[C@]2(C)C1 ZINC000931319720 639134371 /nfs/dbraw/zinc/13/43/71/639134371.db2.gz YTQKQDHVGKQVLY-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](Cc3cccc4ncccc34)C[C@]2(C)C1 ZINC000931319720 639134374 /nfs/dbraw/zinc/13/43/74/639134374.db2.gz YTQKQDHVGKQVLY-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](Cc3cccc4ncccc34)C[C@]2(C)C1 ZINC000931319720 639134376 /nfs/dbraw/zinc/13/43/76/639134376.db2.gz YTQKQDHVGKQVLY-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC000931316798 639134588 /nfs/dbraw/zinc/13/45/88/639134588.db2.gz KMVPRLCICGTFJG-RRFJBIMHSA-N 2 1 286.410 3.086 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091540824 640715661 /nfs/dbraw/zinc/71/56/61/640715661.db2.gz XFQIFMILWJBZEM-XQQFMLRXSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@H](CC[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000091844826 640723510 /nfs/dbraw/zinc/72/35/10/640723510.db2.gz WNWICLFIWDJTOS-ODIFPOPNSA-N 2 1 260.425 3.382 20 0 CGADMP C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251418682 640826224 /nfs/dbraw/zinc/82/62/24/640826224.db2.gz RXWGIDRUQADWFZ-LMBMLGAESA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccccc1Br ZINC000304584168 640865511 /nfs/dbraw/zinc/86/55/11/640865511.db2.gz KDZNKKKXTZHLEQ-SNVBAGLBSA-N 2 1 285.229 3.227 20 0 CGADMP CS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC001579368269 962622985 /nfs/dbraw/zinc/62/29/85/962622985.db2.gz XIVAXHUEPODQMZ-MELADBBJSA-N 2 1 272.502 3.356 20 0 CGADMP Cc1cc2[nH]ccc2c(NCC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001156389811 805682497 /nfs/dbraw/zinc/68/24/97/805682497.db2.gz SPPPYIXHUPPVPQ-CYBMUJFWSA-N 2 1 272.396 3.015 20 0 CGADMP CC[NH+]1CCC(c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)CC1 ZINC001250571057 805701138 /nfs/dbraw/zinc/70/11/38/805701138.db2.gz QKSHSAAPDHZLPY-UHFFFAOYSA-N 2 1 298.434 3.362 20 0 CGADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001253214323 806183009 /nfs/dbraw/zinc/18/30/09/806183009.db2.gz ZPLREFAXCXARBR-QAPCUYQASA-N 2 1 292.467 3.163 20 0 CGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCC2(CC2)CC1 ZINC001254437082 806398029 /nfs/dbraw/zinc/39/80/29/806398029.db2.gz GZPXRTQFDLPPFM-UHFFFAOYSA-N 3 1 295.515 3.185 20 0 CGADMP Cc1cccc2c(CC[NH3+])cn([C@@H]3CCC[N@H+](C)CC3)c21 ZINC001254500149 806421179 /nfs/dbraw/zinc/42/11/79/806421179.db2.gz GFKJLJHOZOIXNU-MRXNPFEDSA-N 2 1 285.435 3.108 20 0 CGADMP Cc1ccc(C2([NH2+][C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254503659 806423368 /nfs/dbraw/zinc/42/33/68/806423368.db2.gz OQHDLWIRODHJLE-MRXNPFEDSA-N 2 1 258.409 3.058 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254506439 806424248 /nfs/dbraw/zinc/42/42/48/806424248.db2.gz SAJKZAZZADUMDK-WBVHZDCISA-N 2 1 258.409 3.056 20 0 CGADMP C[N@H+]1CCC[C@H](NC(=[NH2+])C2CCCCCC2)CC1 ZINC001254505441 806425173 /nfs/dbraw/zinc/42/51/73/806425173.db2.gz FZMMHEXDOKFWHT-AWEZNQCLSA-N 2 1 251.418 3.008 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001254511099 806430332 /nfs/dbraw/zinc/43/03/32/806430332.db2.gz VHCMLWZBVNDTCX-HOTGVXAUSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001254519683 806435840 /nfs/dbraw/zinc/43/58/40/806435840.db2.gz JVMVFVBMQWJFMK-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001254519683 806435844 /nfs/dbraw/zinc/43/58/44/806435844.db2.gz JVMVFVBMQWJFMK-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH+](C)CC1 ZINC001254529511 806441978 /nfs/dbraw/zinc/44/19/78/806441978.db2.gz NBIYEIQWXWNRMC-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254529511 806441984 /nfs/dbraw/zinc/44/19/84/806441984.db2.gz NBIYEIQWXWNRMC-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254529511 806441987 /nfs/dbraw/zinc/44/19/87/806441987.db2.gz NBIYEIQWXWNRMC-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP C[NH2+]Cc1cn([C@H]2CCC[N@@H+](C)CC2)c2ccc(C)cc12 ZINC001254526143 806442669 /nfs/dbraw/zinc/44/26/69/806442669.db2.gz OKXKNISFPYAFDV-INIZCTEOSA-N 2 1 285.435 3.326 20 0 CGADMP CC(C)(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255374625 806628949 /nfs/dbraw/zinc/62/89/49/806628949.db2.gz BJGCGXDDJYCICP-MRXNPFEDSA-N 2 1 260.425 3.429 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388297 806630120 /nfs/dbraw/zinc/63/01/20/806630120.db2.gz YGPZGHOQZOFWSM-DOTOQJQBSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@@H]1CC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255397317 806632290 /nfs/dbraw/zinc/63/22/90/806632290.db2.gz FEJVSPSTPHXXBM-WBVHZDCISA-N 2 1 258.409 3.135 20 0 CGADMP C[C@@H]1CC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397317 806632298 /nfs/dbraw/zinc/63/22/98/806632298.db2.gz FEJVSPSTPHXXBM-WBVHZDCISA-N 2 1 258.409 3.135 20 0 CGADMP C[C@@H]1CC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397317 806632302 /nfs/dbraw/zinc/63/23/02/806632302.db2.gz FEJVSPSTPHXXBM-WBVHZDCISA-N 2 1 258.409 3.135 20 0 CGADMP C[N@H+]1CCC[C@H](n2c([C@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001255488079 806650083 /nfs/dbraw/zinc/65/00/83/806650083.db2.gz XNDQHIBGXZGGKO-JKSUJKDBSA-N 2 1 283.419 3.333 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000069710351 798914240 /nfs/dbraw/zinc/91/42/40/798914240.db2.gz WZYKSDJITZAALM-UHFFFAOYSA-N 2 1 295.430 3.144 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255688549 806706691 /nfs/dbraw/zinc/70/66/91/806706691.db2.gz BFCUJAZVGMSCBG-XGFWRYKXSA-N 2 1 290.373 3.322 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC000300518530 799205031 /nfs/dbraw/zinc/20/50/31/799205031.db2.gz NFFCWXGJXBGGIP-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000317254501 799244777 /nfs/dbraw/zinc/24/47/77/799244777.db2.gz PJMQCSGEKSSMQG-INIZCTEOSA-N 2 1 298.434 3.009 20 0 CGADMP Cc1cc(Br)cc(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000380030271 799356712 /nfs/dbraw/zinc/35/67/12/799356712.db2.gz GEUOJSSHGXYWNX-LBPRGKRZSA-N 2 1 299.256 3.187 20 0 CGADMP Cc1cc(Br)cc(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000380030268 799356747 /nfs/dbraw/zinc/35/67/47/799356747.db2.gz GEUOJSSHGXYWNX-GFCCVEGCSA-N 2 1 299.256 3.187 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380908761 799369466 /nfs/dbraw/zinc/36/94/66/799369466.db2.gz JHRXDWFSSZPGRY-FUHWJXTLSA-N 2 1 298.430 3.322 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC34CC5CC(CC(C5)C3)C4)C[C@@H]12 ZINC000385802176 799428635 /nfs/dbraw/zinc/42/86/35/799428635.db2.gz LUSCHNLWUZZJEB-SJGWZIEOSA-N 2 1 288.479 3.262 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)ccc2c1 ZINC000387250879 799443996 /nfs/dbraw/zinc/44/39/96/799443996.db2.gz LYLMKVFEEFGCSW-GOEBONIOSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1c[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc1C ZINC001163369890 806750566 /nfs/dbraw/zinc/75/05/66/806750566.db2.gz IGJALBHZMAWMBY-GJZGRUSLSA-N 2 1 261.413 3.229 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000394534924 799497922 /nfs/dbraw/zinc/49/79/22/799497922.db2.gz NEFHBHQPFJSAMO-WXLSXGNJSA-N 2 1 252.446 3.405 20 0 CGADMP CC[C@H]1CCC[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000394534919 799498236 /nfs/dbraw/zinc/49/82/36/799498236.db2.gz NEFHBHQPFJSAMO-FXQLRMTLSA-N 2 1 252.446 3.405 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398355239 799529936 /nfs/dbraw/zinc/52/99/36/799529936.db2.gz HPGPBZGZCGXVMO-XXQMMXQMSA-N 2 1 284.447 3.285 20 0 CGADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398355239 799529941 /nfs/dbraw/zinc/52/99/41/799529941.db2.gz HPGPBZGZCGXVMO-XXQMMXQMSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)[C@H]1CC[NH3+] ZINC000404416481 799577033 /nfs/dbraw/zinc/57/70/33/799577033.db2.gz GOAIJMKJYBCNDM-MFKMUULPSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)[C@H]1CC[NH3+] ZINC000404416481 799577039 /nfs/dbraw/zinc/57/70/39/799577039.db2.gz GOAIJMKJYBCNDM-MFKMUULPSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]([N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2)C(C)(C)C ZINC000687978169 799743249 /nfs/dbraw/zinc/74/32/49/799743249.db2.gz KBXLWKXYHIHBJY-LLVKDONJSA-N 2 1 266.454 3.260 20 0 CGADMP CC[N@@H+](Cc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688008349 799743689 /nfs/dbraw/zinc/74/36/89/799743689.db2.gz VNCHEMSNVOEOCV-UHFFFAOYSA-N 2 1 292.473 3.477 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC000688893124 799758127 /nfs/dbraw/zinc/75/81/27/799758127.db2.gz OZXXNUBAVOCIKS-NUEKZKHPSA-N 2 1 250.430 3.159 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647972 799830559 /nfs/dbraw/zinc/83/05/59/799830559.db2.gz KRWGFYWGUYKCCH-GOEBONIOSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@H]1CCC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263144 799859876 /nfs/dbraw/zinc/85/98/76/799859876.db2.gz HXEOYSOYFHDYDZ-IXIBIKRGSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC001255886963 806783883 /nfs/dbraw/zinc/78/38/83/806783883.db2.gz JWDUAPAZHVYJLP-HOCLYGCPSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]1CCCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703269961 799921190 /nfs/dbraw/zinc/92/11/90/799921190.db2.gz PLGZOLLETOGMRX-HNSVSWJLSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cc(C)[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000708033193 799983030 /nfs/dbraw/zinc/98/30/30/799983030.db2.gz NIGRDWFBZXCRDA-HNNXBMFYSA-N 2 1 261.413 3.375 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C(C)(C)c1ccccn1 ZINC001255948574 806793682 /nfs/dbraw/zinc/79/36/82/806793682.db2.gz NKPDYIQAHMXHLD-CQSZACIVSA-N 2 1 263.429 3.027 20 0 CGADMP C(C[N@H+]1CC[C@H](C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000708823679 799995651 /nfs/dbraw/zinc/99/56/51/799995651.db2.gz WXWMATIKUQYDSE-DLBZAZTESA-N 2 1 264.457 3.421 20 0 CGADMP CC1(C)C[C@H](C[N@H+](CC[NH3+])Cc2ccccc2)C(C)(C)O1 ZINC000709756587 800017501 /nfs/dbraw/zinc/01/75/01/800017501.db2.gz WGWGCWOBMSWJCN-MRXNPFEDSA-N 2 1 290.451 3.041 20 0 CGADMP CC1(C)C[C@H](C[N@@H+](CC[NH3+])Cc2ccccc2)C(C)(C)O1 ZINC000709756587 800017509 /nfs/dbraw/zinc/01/75/09/800017509.db2.gz WGWGCWOBMSWJCN-MRXNPFEDSA-N 2 1 290.451 3.041 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709808076 800019271 /nfs/dbraw/zinc/01/92/71/800019271.db2.gz JUAZHHVRDWYREP-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CCCCCC[NH3+])s1 ZINC000710750880 800038465 /nfs/dbraw/zinc/03/84/65/800038465.db2.gz OUTOJOBUKMWGBY-LBPRGKRZSA-N 2 1 269.458 3.272 20 0 CGADMP Clc1ncsc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000713502101 800111947 /nfs/dbraw/zinc/11/19/47/800111947.db2.gz UOKYAFDOXDBVIW-GFCCVEGCSA-N 2 1 299.871 3.008 20 0 CGADMP CCC1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC000714959675 800130052 /nfs/dbraw/zinc/13/00/52/800130052.db2.gz HCCOCDPNNUIACT-GYTBAZASSA-N 2 1 250.430 3.029 20 0 CGADMP CCC1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC000714959675 800130056 /nfs/dbraw/zinc/13/00/56/800130056.db2.gz HCCOCDPNNUIACT-GYTBAZASSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000715511685 800137130 /nfs/dbraw/zinc/13/71/30/800137130.db2.gz XFUCBGVMXIEFAT-UONOGXRCSA-N 2 1 281.831 3.006 20 0 CGADMP CCC1([NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC001256069263 806809674 /nfs/dbraw/zinc/80/96/74/806809674.db2.gz XGXYOWZLARTSGY-UHFFFAOYSA-N 2 1 250.430 3.316 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000717464980 800202288 /nfs/dbraw/zinc/20/22/88/800202288.db2.gz MZSNSHHTKGYVIR-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000717460520 800202682 /nfs/dbraw/zinc/20/26/82/800202682.db2.gz COUPMLQTJSOFJY-MOTUXRJWSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C[C@@H](C)C1 ZINC000721501280 800290109 /nfs/dbraw/zinc/29/01/09/800290109.db2.gz GQLDOCLWUUBRHZ-IDCJVQTKSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C[C@@H](C)C1 ZINC000721501280 800290114 /nfs/dbraw/zinc/29/01/14/800290114.db2.gz GQLDOCLWUUBRHZ-IDCJVQTKSA-N 2 1 272.436 3.197 20 0 CGADMP CSCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000725123097 800373839 /nfs/dbraw/zinc/37/38/39/800373839.db2.gz JNWFMPHBIZMTDI-IRXDYDNUSA-N 2 1 290.476 3.266 20 0 CGADMP CSCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000725123097 800373844 /nfs/dbraw/zinc/37/38/44/800373844.db2.gz JNWFMPHBIZMTDI-IRXDYDNUSA-N 2 1 290.476 3.266 20 0 CGADMP C[NH+]1CCC([NH2+]C(C)(C)c2cccc(Cl)c2)CC1 ZINC001256199767 806846561 /nfs/dbraw/zinc/84/65/61/806846561.db2.gz HODJUHCWFUANEL-UHFFFAOYSA-N 2 1 266.816 3.259 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000925706811 800632311 /nfs/dbraw/zinc/63/23/11/800632311.db2.gz OCKSBWKCWFWBHA-ISWURRPUSA-N 2 1 258.409 3.101 20 0 CGADMP CN1CCC([N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001256203535 806850470 /nfs/dbraw/zinc/85/04/70/806850470.db2.gz ZSUCJWPKTRVCDQ-KRWDZBQOSA-N 2 1 258.409 3.308 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519859 806909745 /nfs/dbraw/zinc/90/97/45/806909745.db2.gz FJDXUGDUIBPVGU-ZBFHGGJFSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256519859 806909749 /nfs/dbraw/zinc/90/97/49/806909749.db2.gz FJDXUGDUIBPVGU-ZBFHGGJFSA-N 2 1 258.409 3.182 20 0 CGADMP COCC(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256524807 806909937 /nfs/dbraw/zinc/90/99/37/806909937.db2.gz YPBSRDWRWMSHSM-NVXWUHKLSA-N 2 1 290.451 3.054 20 0 CGADMP COCC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256524807 806909940 /nfs/dbraw/zinc/90/99/40/806909940.db2.gz YPBSRDWRWMSHSM-NVXWUHKLSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@@H]1C[C@@H](n2ccc(C[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC001256532032 806911018 /nfs/dbraw/zinc/91/10/18/806911018.db2.gz WPVAVYLTHRUPBW-QAPCUYQASA-N 2 1 283.419 3.172 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001256569315 806917796 /nfs/dbraw/zinc/91/77/96/806917796.db2.gz AKNZMDMNTLKMOR-BETUJISGSA-N 2 1 286.410 3.226 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001256573612 806920113 /nfs/dbraw/zinc/92/01/13/806920113.db2.gz LCTCVFFFHFYSKB-NSHDSACASA-N 2 1 278.362 3.134 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001256573612 806920117 /nfs/dbraw/zinc/92/01/17/806920117.db2.gz LCTCVFFFHFYSKB-NSHDSACASA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@H+]1C1CCN(Cc2ccccc2)CC1 ZINC001256604216 806923298 /nfs/dbraw/zinc/92/32/98/806923298.db2.gz NCLTUNAZIISRGA-GDBMZVCRSA-N 2 1 276.399 3.083 20 0 CGADMP C[C@@H]1C[C@@H](F)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604216 806923301 /nfs/dbraw/zinc/92/33/01/806923301.db2.gz NCLTUNAZIISRGA-GDBMZVCRSA-N 2 1 276.399 3.083 20 0 CGADMP Cc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001256621166 806928913 /nfs/dbraw/zinc/92/89/13/806928913.db2.gz LKVJHWPYTKRAET-ALOPSCKCSA-N 2 1 270.420 3.199 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256791433 806978177 /nfs/dbraw/zinc/97/81/77/806978177.db2.gz ZTXOAWFQKUCIPD-ZGUYJTEBSA-N 2 1 288.435 3.108 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC001117954124 802512955 /nfs/dbraw/zinc/51/29/55/802512955.db2.gz ZXWWIMJIMYVBMT-ZDUSSCGKSA-N 2 1 289.448 3.206 20 0 CGADMP C[C@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001118180330 802533851 /nfs/dbraw/zinc/53/38/51/802533851.db2.gz HCGCBDOOQLBECJ-MRXNPFEDSA-N 2 1 272.436 3.256 20 0 CGADMP CC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001119700189 802693374 /nfs/dbraw/zinc/69/33/74/802693374.db2.gz DBJFUEALGCXRGO-NVXWUHKLSA-N 2 1 270.420 3.497 20 0 CGADMP CC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001119700189 802693376 /nfs/dbraw/zinc/69/33/76/802693376.db2.gz DBJFUEALGCXRGO-NVXWUHKLSA-N 2 1 270.420 3.497 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCc3ccc(F)cc3)C2)CC1 ZINC001119967462 802716143 /nfs/dbraw/zinc/71/61/43/802716143.db2.gz LEXYAKWSERWQGX-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP CC(C)([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1CC1 ZINC001256894374 806999754 /nfs/dbraw/zinc/99/97/54/806999754.db2.gz HVYHHUAOSXAJNB-AWEZNQCLSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1CC1 ZINC001256894374 806999756 /nfs/dbraw/zinc/99/97/56/806999756.db2.gz HVYHHUAOSXAJNB-AWEZNQCLSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC001256907485 807006648 /nfs/dbraw/zinc/00/66/48/807006648.db2.gz CKCXYHZJEZRRPT-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1CCC1 ZINC001256907485 807006653 /nfs/dbraw/zinc/00/66/53/807006653.db2.gz CKCXYHZJEZRRPT-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+]1CC[C@@H](c2ccc(/C=C/C3CC[NH2+]CC3)cc2)C1 ZINC001243897130 803067200 /nfs/dbraw/zinc/06/72/00/803067200.db2.gz PWWRTESESPCPOP-ZMUQKWFASA-N 2 1 270.420 3.119 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206810863 813442810 /nfs/dbraw/zinc/44/28/10/813442810.db2.gz QGJFQASSTFFQDI-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206810863 813442814 /nfs/dbraw/zinc/44/28/14/813442814.db2.gz QGJFQASSTFFQDI-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnccc2Cl)CC1 ZINC001137235399 803702382 /nfs/dbraw/zinc/70/23/82/803702382.db2.gz NIWBWKCWKMPXDO-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnccc2Cl)CC1 ZINC001137235399 803702386 /nfs/dbraw/zinc/70/23/86/803702386.db2.gz NIWBWKCWKMPXDO-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP Cc1csc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC001137291615 803710038 /nfs/dbraw/zinc/71/00/38/803710038.db2.gz ZXTRTXZJPYHKBY-UHFFFAOYSA-N 2 1 286.872 3.484 20 0 CGADMP Cc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)ccn1 ZINC001137416667 803731857 /nfs/dbraw/zinc/73/18/57/803731857.db2.gz LFJSYEATJZFHDM-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)ccn1 ZINC001137416667 803731861 /nfs/dbraw/zinc/73/18/61/803731861.db2.gz LFJSYEATJZFHDM-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccn1 ZINC001137416667 803731864 /nfs/dbraw/zinc/73/18/64/803731864.db2.gz LFJSYEATJZFHDM-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccn1 ZINC001137416667 803731868 /nfs/dbraw/zinc/73/18/68/803731868.db2.gz LFJSYEATJZFHDM-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccnc2Cl)CC1 ZINC001137424863 803732693 /nfs/dbraw/zinc/73/26/93/803732693.db2.gz JSYMCRJDUNZOPI-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccnc2Cl)CC1 ZINC001137424863 803732695 /nfs/dbraw/zinc/73/26/95/803732695.db2.gz JSYMCRJDUNZOPI-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137630998 803747948 /nfs/dbraw/zinc/74/79/48/803747948.db2.gz ZLNQBYGTZXOZMC-UHFFFAOYSA-N 2 1 295.430 3.293 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137630998 803747952 /nfs/dbraw/zinc/74/79/52/803747952.db2.gz ZLNQBYGTZXOZMC-UHFFFAOYSA-N 2 1 295.430 3.293 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC001137654355 803750600 /nfs/dbraw/zinc/75/06/00/803750600.db2.gz MLGMTVBMROKDSZ-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(OC)c(C)c1 ZINC001138429010 803932834 /nfs/dbraw/zinc/93/28/34/803932834.db2.gz BNSLZVPKMVVAAO-UHFFFAOYSA-N 2 1 292.467 3.476 20 0 CGADMP CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(C)C ZINC001138772277 804034394 /nfs/dbraw/zinc/03/43/94/804034394.db2.gz XLVQGZCVHFIKIG-UHFFFAOYSA-N 2 1 292.467 3.495 20 0 CGADMP CCC(CC)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138773268 804035342 /nfs/dbraw/zinc/03/53/42/804035342.db2.gz ZDBJNHQIMHMFSA-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP CCCCC[C@@H](O)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246055212 804104974 /nfs/dbraw/zinc/10/49/74/804104974.db2.gz MCCYGSJCNHTWMU-KZNAEPCWSA-N 2 1 296.499 3.300 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246075509 804114397 /nfs/dbraw/zinc/11/43/97/804114397.db2.gz UWVVOXFCGMNRBD-HOTGVXAUSA-N 2 1 282.378 3.365 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[NH2+]1 ZINC001246081933 804118864 /nfs/dbraw/zinc/11/88/64/804118864.db2.gz SXJXHIKGIJNKJF-CABCVRRESA-N 2 1 284.806 3.345 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246102482 804134708 /nfs/dbraw/zinc/13/47/08/804134708.db2.gz PFSRAIQZRSQOLY-GPCCPHFNSA-N 2 1 287.234 3.264 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246102484 804135248 /nfs/dbraw/zinc/13/52/48/804135248.db2.gz PFSRAIQZRSQOLY-IMSIIYSGSA-N 2 1 287.234 3.264 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246101973 804135456 /nfs/dbraw/zinc/13/54/56/804135456.db2.gz NKJOIMSCDODTJL-KBAYOESNSA-N 2 1 274.452 3.376 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)[NH2+]C1 ZINC001246104385 804136970 /nfs/dbraw/zinc/13/69/70/804136970.db2.gz JNECYEDCJBENRK-YUELXQCFSA-N 2 1 292.854 3.175 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[NH2+][C@@H]3CC[NH2+]C3)ccc2c1 ZINC001246117607 804149943 /nfs/dbraw/zinc/14/99/43/804149943.db2.gz RJAJCTSADNWKJO-RDTXWAMCSA-N 2 1 298.430 3.121 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246134637 804159272 /nfs/dbraw/zinc/15/92/72/804159272.db2.gz OBJRYIRIULYLAN-XEZPLFJOSA-N 2 1 294.464 3.022 20 0 CGADMP CCCC[C@@H]1C[C@@H](NCC[N@@H+](CC)CCCC)CC[NH2+]1 ZINC001246160968 804176864 /nfs/dbraw/zinc/17/68/64/804176864.db2.gz IAJQKBQBALRRSH-SJORKVTESA-N 2 1 283.504 3.009 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175970 804191151 /nfs/dbraw/zinc/19/11/51/804191151.db2.gz JTEUCADRWARRPW-IAGOWNOFSA-N 3 1 295.515 3.137 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175970 804191155 /nfs/dbraw/zinc/19/11/55/804191155.db2.gz JTEUCADRWARRPW-IAGOWNOFSA-N 3 1 295.515 3.137 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246176521 804191273 /nfs/dbraw/zinc/19/12/73/804191273.db2.gz LNLGWESLZFCPSP-GJZGRUSLSA-N 2 1 258.425 3.273 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246184691 804197440 /nfs/dbraw/zinc/19/74/40/804197440.db2.gz NDCGKTTVRNFZNJ-UHFFFAOYSA-N 2 1 295.515 3.010 20 0 CGADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC([NH2+]C)CC1 ZINC001246192001 804200223 /nfs/dbraw/zinc/20/02/23/804200223.db2.gz DEQLYJFQHQCPMU-UHFFFAOYSA-N 3 1 283.504 3.009 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)C[NH2+]1 ZINC001246239324 804232697 /nfs/dbraw/zinc/23/26/97/804232697.db2.gz IZZUHSQEPBDQEG-KBUPBQIOSA-N 2 1 252.446 3.321 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC001246263950 804244246 /nfs/dbraw/zinc/24/42/46/804244246.db2.gz MBWUHIRJVYCIIG-CQSZACIVSA-N 2 1 278.827 3.413 20 0 CGADMP CC(C)C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1F ZINC001246274607 804251581 /nfs/dbraw/zinc/25/15/81/804251581.db2.gz YETLCBMAXGWFMW-INIZCTEOSA-N 2 1 264.388 3.255 20 0 CGADMP CCC[C@@H]([NH2+][C@@H](C)CC[NH2+]C)c1ccccc1F ZINC001246278255 804253583 /nfs/dbraw/zinc/25/35/83/804253583.db2.gz UKSHHWBCPKRGBA-SWLSCSKDSA-N 2 1 252.377 3.255 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246299642 804265746 /nfs/dbraw/zinc/26/57/46/804265746.db2.gz IYNFEAQLJSXFJK-SMDDNHRTSA-N 2 1 298.352 3.425 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299055 804266618 /nfs/dbraw/zinc/26/66/18/804266618.db2.gz ICEUKLANWJXGPQ-WBVHZDCISA-N 2 1 262.441 3.361 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])Cc2ccccc2)CC(C)(C)C1 ZINC001246299596 804267025 /nfs/dbraw/zinc/26/70/25/804267025.db2.gz KXGMQFBOOKLWGA-HYVNUMGLSA-N 2 1 274.452 3.361 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246324002 804283217 /nfs/dbraw/zinc/28/32/17/804283217.db2.gz DNEJOSVFNWFKSQ-RWSFTLGLSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)C[NH2+]1 ZINC001246336988 804291815 /nfs/dbraw/zinc/29/18/15/804291815.db2.gz RVQDOZJBWQBJKH-ARAZSQDJSA-N 2 1 276.468 3.466 20 0 CGADMP [NH3+]CCCCCCCCCCC[NH2+][C@@H]1CCCCNC1 ZINC001246337987 804292538 /nfs/dbraw/zinc/29/25/38/804292538.db2.gz ZAIUQDSVVZLLJT-QGZVFWFLSA-N 2 1 283.504 3.188 20 0 CGADMP C[C@]12C[C@@H]3C[C@]([NH2+][C@@H]4CCC[NH2+]C4)(C1)C[C@@](C)(C3)C2 ZINC001246338056 804292900 /nfs/dbraw/zinc/29/29/00/804292900.db2.gz ZWJSISXWFMQJSR-NQNKBUKLSA-N 2 1 262.441 3.077 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001246343000 804293999 /nfs/dbraw/zinc/29/39/99/804293999.db2.gz DJTGBDGBJPSJRV-HIFRSBDPSA-N 2 1 280.481 3.439 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001246346263 804295742 /nfs/dbraw/zinc/29/57/42/804295742.db2.gz QZZGIDPHVNXJHK-ZBFHGGJFSA-N 2 1 262.441 3.279 20 0 CGADMP CC1(C)C[C@H]([NH2+]C2(c3ccccc3F)CCC2)CC[NH2+]1 ZINC001246365396 804305076 /nfs/dbraw/zinc/30/50/76/804305076.db2.gz JVAXYMWVQXSWFI-CYBMUJFWSA-N 2 1 276.399 3.325 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@@H]2C1 ZINC001139883422 804310801 /nfs/dbraw/zinc/31/08/01/804310801.db2.gz TWNNFBHUXRKNBN-HDICACEKSA-N 2 1 284.447 3.338 20 0 CGADMP Cc1ccccc1CC1(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246386240 804315565 /nfs/dbraw/zinc/31/55/65/804315565.db2.gz GGHLUYBNZWPRLT-WBVHZDCISA-N 2 1 272.436 3.048 20 0 CGADMP Cc1ccc(CC2(C[NH2+][C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC001246384016 804317058 /nfs/dbraw/zinc/31/70/58/804317058.db2.gz NFLJOSAODOZQBW-WBVHZDCISA-N 2 1 272.436 3.048 20 0 CGADMP Clc1ncccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001246456765 804337483 /nfs/dbraw/zinc/33/74/83/804337483.db2.gz LTYFTYXHDQAMKV-YOOVYSLHSA-N 2 1 291.826 3.059 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246472881 804350265 /nfs/dbraw/zinc/35/02/65/804350265.db2.gz ZUEUVIPFDZJMOJ-AWEZNQCLSA-N 2 1 278.399 3.141 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246486486 804356453 /nfs/dbraw/zinc/35/64/53/804356453.db2.gz JWXJBLXQEDQHCV-HOTGVXAUSA-N 2 1 296.405 3.232 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(Cl)c1 ZINC001246489465 804357874 /nfs/dbraw/zinc/35/78/74/804357874.db2.gz NPHHJLIIHLHOSK-RULNRJAQSA-N 2 1 270.779 3.270 20 0 CGADMP C(=C/c1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1)\c1ccccc1 ZINC001246508009 804365756 /nfs/dbraw/zinc/36/57/56/804365756.db2.gz BBMORALFYJLVIL-ROUKRRSUSA-N 2 1 292.426 3.351 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CC[NH2+]1 ZINC001246521231 804375816 /nfs/dbraw/zinc/37/58/16/804375816.db2.gz YHXHADOSRDQKLD-ZBFHGGJFSA-N 2 1 260.425 3.428 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246527381 804380527 /nfs/dbraw/zinc/38/05/27/804380527.db2.gz TZSLYIUPYWJEJJ-QZTJIDSGSA-N 2 1 272.436 3.349 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246536631 804385880 /nfs/dbraw/zinc/38/58/80/804385880.db2.gz VPVCDMPFYUROCO-JKSUJKDBSA-N 2 1 270.461 3.175 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542319 804390053 /nfs/dbraw/zinc/39/00/53/804390053.db2.gz OKHMABMCFLNXBS-CGTJXYLNSA-N 2 1 274.452 3.170 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246548046 804398840 /nfs/dbraw/zinc/39/88/40/804398840.db2.gz FGFSLIJIHZTBIF-HZPDHXFCSA-N 2 1 278.827 3.011 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246549683 804399064 /nfs/dbraw/zinc/39/90/64/804399064.db2.gz UEFIZOCGTJNFNW-BJWYYQGGSA-N 2 1 270.420 3.026 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552195 804402951 /nfs/dbraw/zinc/40/29/51/804402951.db2.gz SWDHZNGKAVCEQQ-SJORKVTESA-N 2 1 278.415 3.161 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246553401 804402985 /nfs/dbraw/zinc/40/29/85/804402985.db2.gz RMJYCMDFSZIAFX-YOEHRIQHSA-N 2 1 292.854 3.401 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCCC[C@@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246554944 804403963 /nfs/dbraw/zinc/40/39/63/804403963.db2.gz CZXWODVEVOEIEM-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246556811 804405812 /nfs/dbraw/zinc/40/58/12/804405812.db2.gz DQGRKNJFALQWOX-JWTNVVGKSA-N 2 1 272.436 3.428 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557014 804406973 /nfs/dbraw/zinc/40/69/73/804406973.db2.gz KJJUMQZQFQSWAX-CHWSQXEVSA-N 2 1 262.388 3.261 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246558320 804408190 /nfs/dbraw/zinc/40/81/90/804408190.db2.gz KYMNNIBAKCDCSG-PIIMJCKOSA-N 2 1 272.436 3.143 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001246559852 804408814 /nfs/dbraw/zinc/40/88/14/804408814.db2.gz FISLJEKHADZCME-GJYPPUQNSA-N 2 1 288.479 3.487 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC3(CCOCC3)CC2)CC[C@H]1C[NH3+] ZINC001246560641 804410315 /nfs/dbraw/zinc/41/03/15/804410315.db2.gz REHVMRDBDBYCNN-HOTGVXAUSA-N 2 1 294.483 3.033 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246562327 804411516 /nfs/dbraw/zinc/41/15/16/804411516.db2.gz YLTDCBSMIAOKGS-DOTOQJQBSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246562327 804411520 /nfs/dbraw/zinc/41/15/20/804411520.db2.gz YLTDCBSMIAOKGS-DOTOQJQBSA-N 2 1 260.425 3.285 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246573018 804420151 /nfs/dbraw/zinc/42/01/51/804420151.db2.gz YNVJPWUCYYBROE-JWMHWRSXSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)C1CCC([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246574206 804420264 /nfs/dbraw/zinc/42/02/64/804420264.db2.gz FJGGAUMKGREAAL-UYSNPLJNSA-N 2 1 270.436 3.354 20 0 CGADMP CC(C)C1CCC([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246574206 804420268 /nfs/dbraw/zinc/42/02/68/804420268.db2.gz FJGGAUMKGREAAL-UYSNPLJNSA-N 2 1 270.436 3.354 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246574195 804420604 /nfs/dbraw/zinc/42/06/04/804420604.db2.gz FHEFEFRNUYWZLV-CABCVRRESA-N 2 1 258.425 3.498 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246574195 804420607 /nfs/dbraw/zinc/42/06/07/804420607.db2.gz FHEFEFRNUYWZLV-CABCVRRESA-N 2 1 258.425 3.498 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246586310 804430110 /nfs/dbraw/zinc/43/01/10/804430110.db2.gz MUKUYCDJYDJWLQ-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246588435 804432494 /nfs/dbraw/zinc/43/24/94/804432494.db2.gz ZFTWZPNZFASABZ-YOEHRIQHSA-N 2 1 278.415 3.208 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246591202 804433417 /nfs/dbraw/zinc/43/34/17/804433417.db2.gz MVEBIYSEVWHULG-PBFPGSCMSA-N 2 1 292.854 3.257 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246592388 804433955 /nfs/dbraw/zinc/43/39/55/804433955.db2.gz QLKHEVFAYSSLMK-MCIONIFRSA-N 2 1 280.843 3.330 20 0 CGADMP CC[C@@H]1CC[C@H]([N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)C1 ZINC001246595120 804437197 /nfs/dbraw/zinc/43/71/97/804437197.db2.gz RHRKRGALJQFDIM-PMPSAXMXSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CC[C@H]([N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)C1 ZINC001246595113 804437575 /nfs/dbraw/zinc/43/75/75/804437575.db2.gz RHRKRGALJQFDIM-OAGGEKHMSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246604764 804441202 /nfs/dbraw/zinc/44/12/02/804441202.db2.gz NZBLNLTVGFMZPC-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246604764 804441204 /nfs/dbraw/zinc/44/12/04/804441204.db2.gz NZBLNLTVGFMZPC-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C1 ZINC001246605463 804441454 /nfs/dbraw/zinc/44/14/54/804441454.db2.gz JWAOYGOTJWRMCS-GDBMZVCRSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C1 ZINC001246605466 804441865 /nfs/dbraw/zinc/44/18/65/804441865.db2.gz JWAOYGOTJWRMCS-ZBFHGGJFSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001246607529 804443327 /nfs/dbraw/zinc/44/33/27/804443327.db2.gz TUZJTDAMOVOVQD-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001246607529 804443331 /nfs/dbraw/zinc/44/33/31/804443331.db2.gz TUZJTDAMOVOVQD-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246609466 804443620 /nfs/dbraw/zinc/44/36/20/804443620.db2.gz YQTVPYRYQSICPY-AZUAARDMSA-N 2 1 298.474 3.460 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246609782 804444660 /nfs/dbraw/zinc/44/46/60/804444660.db2.gz NLZHAUWYZBHQQM-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP C1CC2(CCCCC2)[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246613533 804446305 /nfs/dbraw/zinc/44/63/05/804446305.db2.gz LKGUXUFVJAKACT-HOTGVXAUSA-N 2 1 262.441 3.317 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246613970 804449095 /nfs/dbraw/zinc/44/90/95/804449095.db2.gz MLUXMHMWJVAXDM-QAPCUYQASA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246613970 804449098 /nfs/dbraw/zinc/44/90/98/804449098.db2.gz MLUXMHMWJVAXDM-QAPCUYQASA-N 2 1 272.436 3.008 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)C[C@@H](C)C1 ZINC001246618301 804451182 /nfs/dbraw/zinc/45/11/82/804451182.db2.gz JSLJFMUXBMDNBS-JJXSEGSLSA-N 2 1 250.430 3.029 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246618425 804451651 /nfs/dbraw/zinc/45/16/51/804451651.db2.gz FNBGNILBCIRMAK-DZGCQCFKSA-N 2 1 270.486 3.125 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246619084 804453524 /nfs/dbraw/zinc/45/35/24/804453524.db2.gz HGPFTOIWUGLMSA-HOTGVXAUSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246619084 804453528 /nfs/dbraw/zinc/45/35/28/804453528.db2.gz HGPFTOIWUGLMSA-HOTGVXAUSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246619085 804453878 /nfs/dbraw/zinc/45/38/78/804453878.db2.gz HGPFTOIWUGLMSA-HZPDHXFCSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246619085 804453883 /nfs/dbraw/zinc/45/38/83/804453883.db2.gz HGPFTOIWUGLMSA-HZPDHXFCSA-N 2 1 250.430 3.339 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC001246618643 804454080 /nfs/dbraw/zinc/45/40/80/804454080.db2.gz IFBMPONDXJXFRY-ZUPWUQBJSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246626190 804456928 /nfs/dbraw/zinc/45/69/28/804456928.db2.gz HFYROMJBOCFLIB-CWRNSKLLSA-N 2 1 292.854 3.202 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@]3(C1)CCCC[NH2+]3)C2 ZINC001246627016 804458962 /nfs/dbraw/zinc/45/89/62/804458962.db2.gz VYTJGAXZNWTBQT-HKUYNNGSSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@]3(C1)CCCC[NH2+]3)C2 ZINC001246627016 804458964 /nfs/dbraw/zinc/45/89/64/804458964.db2.gz VYTJGAXZNWTBQT-HKUYNNGSSA-N 2 1 284.447 3.070 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246627149 804459431 /nfs/dbraw/zinc/45/94/31/804459431.db2.gz ZLWOJJJBLNTEIC-DLBZAZTESA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246630156 804460289 /nfs/dbraw/zinc/46/02/89/804460289.db2.gz IFTBOCZCTNNTEZ-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246630546 804460546 /nfs/dbraw/zinc/46/05/46/804460546.db2.gz PHCAGPNWJWHYBQ-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246633066 804463890 /nfs/dbraw/zinc/46/38/90/804463890.db2.gz JEWOWCHNVYRROY-OKZBNKHCSA-N 2 1 272.436 3.224 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246633066 804463893 /nfs/dbraw/zinc/46/38/93/804463893.db2.gz JEWOWCHNVYRROY-OKZBNKHCSA-N 2 1 272.436 3.224 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634182 804464033 /nfs/dbraw/zinc/46/40/33/804464033.db2.gz ASJIZJQFKPLQGN-SJORKVTESA-N 2 1 282.472 3.047 20 0 CGADMP CCCC1CCC([N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001246636017 804465811 /nfs/dbraw/zinc/46/58/11/804465811.db2.gz KAJUUBNUIRMCEU-ABHNRTSZSA-N 2 1 294.483 3.047 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246640773 804467509 /nfs/dbraw/zinc/46/75/09/804467509.db2.gz RZXWBQFLJMTINW-XWTMOSNGSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246640773 804467511 /nfs/dbraw/zinc/46/75/11/804467511.db2.gz RZXWBQFLJMTINW-XWTMOSNGSA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641724 804468876 /nfs/dbraw/zinc/46/88/76/804468876.db2.gz XNEKDXRRNROLHA-RCCFBDPRSA-N 2 1 272.436 3.080 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641724 804468878 /nfs/dbraw/zinc/46/88/78/804468878.db2.gz XNEKDXRRNROLHA-RCCFBDPRSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@H]1CC([N@H+]2CCCC[C@@]23CC[NH2+]C3)C[C@H](C)C1 ZINC001246641761 804468954 /nfs/dbraw/zinc/46/89/54/804468954.db2.gz FLQGRPIPABXJBQ-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC13CC[NH2+]CC3)CC2 ZINC001246644037 804470848 /nfs/dbraw/zinc/47/08/48/804470848.db2.gz ITDWYUZLMOTBRG-SFHVURJKSA-N 2 1 284.447 3.070 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC001246642947 804471015 /nfs/dbraw/zinc/47/10/15/804471015.db2.gz FTPXNAYHBVSOEV-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]13CC[NH2+]C3)C2 ZINC001246645064 804471982 /nfs/dbraw/zinc/47/19/82/804471982.db2.gz ANNIZOLPHNHVIU-SJORKVTESA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]13CC[NH2+]C3)C2 ZINC001246645064 804471983 /nfs/dbraw/zinc/47/19/83/804471983.db2.gz ANNIZOLPHNHVIU-SJORKVTESA-N 2 1 290.838 3.025 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246646799 804474149 /nfs/dbraw/zinc/47/41/49/804474149.db2.gz ICQIENJXDNMXRT-CEXWTWQISA-N 2 1 286.463 3.329 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246648937 804477598 /nfs/dbraw/zinc/47/75/98/804477598.db2.gz UTTNGDPHGGBUJW-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C1C[C@H]2C[N@@H+](C3CCC4(CC[NH2+]C4)CC3)CC[C@@H]2C1 ZINC001246653427 804479099 /nfs/dbraw/zinc/47/90/99/804479099.db2.gz DUQZHAQXVHDBLQ-JUVOFCAFSA-N 2 1 262.441 3.031 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654688 804481072 /nfs/dbraw/zinc/48/10/72/804481072.db2.gz KSAFTKIERLMSSK-OKZBNKHCSA-N 2 1 272.436 3.067 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246658605 804482005 /nfs/dbraw/zinc/48/20/05/804482005.db2.gz LCVNCAKSUHGNCC-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246658605 804482008 /nfs/dbraw/zinc/48/20/08/804482008.db2.gz LCVNCAKSUHGNCC-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660452 804483397 /nfs/dbraw/zinc/48/33/97/804483397.db2.gz UGRKFDSBGJDEFN-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660452 804483400 /nfs/dbraw/zinc/48/34/00/804483400.db2.gz UGRKFDSBGJDEFN-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246659519 804484075 /nfs/dbraw/zinc/48/40/75/804484075.db2.gz SSSPQLHRYKYFDR-QYZOEREBSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246661856 804485123 /nfs/dbraw/zinc/48/51/23/804485123.db2.gz MHCDJAXJQGHOFL-XUWVNRHRSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc(C2CCC([N@H+]3C[C@H]4CC[NH2+]C[C@H]43)CC2)cc1 ZINC001246663301 804485464 /nfs/dbraw/zinc/48/54/64/804485464.db2.gz LMASUTHWNMVSHH-GPQLOAJWSA-N 2 1 270.420 3.007 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001246667710 804487827 /nfs/dbraw/zinc/48/78/27/804487827.db2.gz UFQIKLURHWGJBU-JKIFEVAISA-N 2 1 290.838 3.011 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246669956 804488180 /nfs/dbraw/zinc/48/81/80/804488180.db2.gz DCNZOUCQYADLNF-AILXTGBUSA-N 2 1 296.458 3.107 20 0 CGADMP c1ccc(C2CCC([N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246671742 804489589 /nfs/dbraw/zinc/48/95/89/804489589.db2.gz HQUHOAUHKGWPKZ-FPQWYMTMSA-N 2 1 270.420 3.007 20 0 CGADMP C1[C@H]2C[NH2+]CC[C@@H]2[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246678740 804493171 /nfs/dbraw/zinc/49/31/71/804493171.db2.gz YLRAJXKEDHBTAP-PMPSAXMXSA-N 2 1 262.441 3.173 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)C1CCC2(C[NH2+]C2)CC1 ZINC001246768536 804503193 /nfs/dbraw/zinc/50/31/93/804503193.db2.gz FOYLKCFOWKVIBA-UHFFFAOYSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)C[C@H](C)[NH2+]1 ZINC001246775989 804506503 /nfs/dbraw/zinc/50/65/03/804506503.db2.gz MARUKAPKNDAXHY-SCAQPMJSSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)CCOc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246779404 804506960 /nfs/dbraw/zinc/50/69/60/804506960.db2.gz GAUQIAMULMJFNI-HZPDHXFCSA-N 2 1 290.451 3.306 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246780892 804507624 /nfs/dbraw/zinc/50/76/24/804507624.db2.gz MPIFCHULMNGESV-IXEWLPCDSA-N 2 1 286.419 3.115 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246782758 804507791 /nfs/dbraw/zinc/50/77/91/804507791.db2.gz URDHQRQSRIQNPE-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246782758 804507797 /nfs/dbraw/zinc/50/77/97/804507797.db2.gz URDHQRQSRIQNPE-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246787032 804511363 /nfs/dbraw/zinc/51/13/63/804511363.db2.gz PHQDOJAKBBCDIU-WBVHZDCISA-N 2 1 288.435 3.060 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246789723 804513960 /nfs/dbraw/zinc/51/39/60/804513960.db2.gz YKDXDVNGCYWBSQ-NVXWUHKLSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246789723 804513965 /nfs/dbraw/zinc/51/39/65/804513965.db2.gz YKDXDVNGCYWBSQ-NVXWUHKLSA-N 2 1 288.435 3.048 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+](C3CCC4(C[NH2+]C4)CC3)C2)cc1 ZINC001246789090 804514164 /nfs/dbraw/zinc/51/41/64/804514164.db2.gz BAOGHSILFDVYBW-KRWDZBQOSA-N 2 1 284.447 3.083 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001246791422 804515100 /nfs/dbraw/zinc/51/51/00/804515100.db2.gz YOEHZDWBCOPMGH-DOMZBBRYSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001246791422 804515105 /nfs/dbraw/zinc/51/51/05/804515105.db2.gz YOEHZDWBCOPMGH-DOMZBBRYSA-N 2 1 266.816 3.475 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246793197 804515354 /nfs/dbraw/zinc/51/53/54/804515354.db2.gz TUPQLQGSFVDKAO-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246791294 804515378 /nfs/dbraw/zinc/51/53/78/804515378.db2.gz OGEYIWIHWUNXGC-HNNXBMFYSA-N 2 1 264.800 3.229 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246791294 804515380 /nfs/dbraw/zinc/51/53/80/804515380.db2.gz OGEYIWIHWUNXGC-HNNXBMFYSA-N 2 1 264.800 3.229 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246791495 804516102 /nfs/dbraw/zinc/51/61/02/804516102.db2.gz JWWQRMSYILSYDN-INDMIFKZSA-N 2 1 284.447 3.224 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246794119 804517174 /nfs/dbraw/zinc/51/71/74/804517174.db2.gz ZAVKTAWEFYJFNM-HOCLYGCPSA-N 2 1 288.435 3.363 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001246793243 804517708 /nfs/dbraw/zinc/51/77/08/804517708.db2.gz BWRFMVZQADWLCP-INIZCTEOSA-N 2 1 290.426 3.005 20 0 CGADMP c1cc2c(s1)C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)CC2 ZINC001246797460 804519443 /nfs/dbraw/zinc/51/94/43/804519443.db2.gz ONYQYXJFKXZOOZ-UHFFFAOYSA-N 2 1 290.476 3.419 20 0 CGADMP C[N@@H+](C1CCCC1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246796833 804519672 /nfs/dbraw/zinc/51/96/72/804519672.db2.gz MMWKVJFYZDVOGI-WMZOPIPTSA-N 2 1 272.436 3.224 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC001246796022 804520109 /nfs/dbraw/zinc/52/01/09/804520109.db2.gz DWQUXKPELMUXSO-GFCCVEGCSA-N 2 1 298.833 3.484 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC12CCCCC2 ZINC001140802566 804521318 /nfs/dbraw/zinc/52/13/18/804521318.db2.gz ZLFCURCMHYRYIO-UHFFFAOYSA-N 2 1 255.365 3.472 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC12CCCCC2 ZINC001140802566 804521322 /nfs/dbraw/zinc/52/13/22/804521322.db2.gz ZLFCURCMHYRYIO-UHFFFAOYSA-N 2 1 255.365 3.472 20 0 CGADMP c1[nH]c2ccncc2c1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140800944 804521344 /nfs/dbraw/zinc/52/13/44/804521344.db2.gz BQXWZTWSBBVLLV-CHWSQXEVSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2ccncc2c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140800944 804521348 /nfs/dbraw/zinc/52/13/48/804521348.db2.gz BQXWZTWSBBVLLV-CHWSQXEVSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140800944 804521352 /nfs/dbraw/zinc/52/13/52/804521352.db2.gz BQXWZTWSBBVLLV-CHWSQXEVSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140800944 804521354 /nfs/dbraw/zinc/52/13/54/804521354.db2.gz BQXWZTWSBBVLLV-CHWSQXEVSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001140807296 804523918 /nfs/dbraw/zinc/52/39/18/804523918.db2.gz UHTWPDDDMYEMJV-MLGOLLRUSA-N 2 1 255.365 3.327 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001140807296 804523924 /nfs/dbraw/zinc/52/39/24/804523924.db2.gz UHTWPDDDMYEMJV-MLGOLLRUSA-N 2 1 255.365 3.327 20 0 CGADMP c1ccc([C@H]2c3ccccc3CC[N@@H+]2C2CC[NH2+]CC2)cc1 ZINC001246808331 804525022 /nfs/dbraw/zinc/52/50/22/804525022.db2.gz WSLMALNRZKQKLT-FQEVSTJZSA-N 2 1 292.426 3.386 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246808785 804526729 /nfs/dbraw/zinc/52/67/29/804526729.db2.gz DEINGAZSNXWNBF-QRNKSROTSA-N 2 1 250.430 3.029 20 0 CGADMP COC(C)(C)[C@@H]1CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246808875 804526950 /nfs/dbraw/zinc/52/69/50/804526950.db2.gz DQGFHXNHXVBXLA-PQUAAJSLSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+](Cc1c(Cl)cccc1Cl)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246811142 804529141 /nfs/dbraw/zinc/52/91/41/804529141.db2.gz NTMBEYRWFCZRQW-ZSBIGDGJSA-N 2 1 299.245 3.423 20 0 CGADMP CC[C@H]1CC([N@H+](C)Cc2ccsc2)C[C@H](CC)[NH2+]1 ZINC001246813245 804529963 /nfs/dbraw/zinc/52/99/63/804529963.db2.gz HKWXBYUTLRNGPQ-KBPBESRZSA-N 2 1 266.454 3.489 20 0 CGADMP CC[C@H]1CC([N@@H+](C)Cc2ccsc2)C[C@H](CC)[NH2+]1 ZINC001246813245 804529966 /nfs/dbraw/zinc/52/99/66/804529966.db2.gz HKWXBYUTLRNGPQ-KBPBESRZSA-N 2 1 266.454 3.489 20 0 CGADMP C[N@H+](Cc1ccsc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246814204 804530011 /nfs/dbraw/zinc/53/00/11/804530011.db2.gz OIRZQIGUVSAPDK-UONOGXRCSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](Cc1ccsc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246814204 804530014 /nfs/dbraw/zinc/53/00/14/804530014.db2.gz OIRZQIGUVSAPDK-UONOGXRCSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246815684 804532129 /nfs/dbraw/zinc/53/21/29/804532129.db2.gz ZZJOUWBSTIJIEB-NJAFHUGGSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246824681 804537047 /nfs/dbraw/zinc/53/70/47/804537047.db2.gz QYMQGUHRUQALGC-HNNXBMFYSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246827714 804539240 /nfs/dbraw/zinc/53/92/40/804539240.db2.gz OFKGLTFEEDUSGV-KDOFPFPSSA-N 2 1 290.426 3.221 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246838572 804546784 /nfs/dbraw/zinc/54/67/84/804546784.db2.gz CYRKNAKGBJVHJU-WFASDCNBSA-N 2 1 266.816 3.302 20 0 CGADMP COCCC[N@@H+](C1CC[NH2+]CC1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246838646 804547035 /nfs/dbraw/zinc/54/70/35/804547035.db2.gz ZLNVOGIBUJDTTG-RDJZCZTQSA-N 2 1 296.499 3.292 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001246840286 804548207 /nfs/dbraw/zinc/54/82/07/804548207.db2.gz WBDRTEKZBPNJFH-XMTFNYHQSA-N 2 1 276.468 3.421 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840130 804548525 /nfs/dbraw/zinc/54/85/25/804548525.db2.gz FFXIPCCFCYYSGH-DGXTUMSLSA-N 2 1 252.446 3.260 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246840202 804548905 /nfs/dbraw/zinc/54/89/05/804548905.db2.gz GFSVIEKMENRWCO-DZGCQCFKSA-N 2 1 280.843 3.202 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246842736 804550523 /nfs/dbraw/zinc/55/05/23/804550523.db2.gz DDFAPFDROPIZEG-MRXNPFEDSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246844402 804552298 /nfs/dbraw/zinc/55/22/98/804552298.db2.gz JAMIXJYMMAIEMN-CEXWTWQISA-N 2 1 286.463 3.185 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246846533 804556081 /nfs/dbraw/zinc/55/60/81/804556081.db2.gz ONCLCUIQBOQTMH-CEXWTWQISA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)CC2CCCCC2)CC[NH2+]1 ZINC001246847312 804556218 /nfs/dbraw/zinc/55/62/18/804556218.db2.gz SPCDBMWUYXFDPU-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246848665 804557978 /nfs/dbraw/zinc/55/79/78/804557978.db2.gz YFWAIIZXQVUPQM-ZWKOTPCHSA-N 2 1 272.436 3.398 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246849333 804559474 /nfs/dbraw/zinc/55/94/74/804559474.db2.gz ZRFLEKQFVOYWLT-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1CCC3(CCc4ccccc43)CC1)C2 ZINC001246852674 804562565 /nfs/dbraw/zinc/56/25/65/804562565.db2.gz JNIRRHADKRMFPV-OQUMVOOASA-N 2 1 296.458 3.236 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246853568 804563899 /nfs/dbraw/zinc/56/38/99/804563899.db2.gz RIELHOFHVKYVGU-LESCRADOSA-N 2 1 290.451 3.465 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246856204 804564281 /nfs/dbraw/zinc/56/42/81/804564281.db2.gz ZQXIHRAEFCFUEE-HFTRVMKXSA-N 2 1 290.426 3.221 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCOC3(CCCCC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246865098 804570228 /nfs/dbraw/zinc/57/02/28/804570228.db2.gz WFAOUNOGQYXPRX-HZPDHXFCSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCOC3(CCCCC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246865098 804570232 /nfs/dbraw/zinc/57/02/32/804570232.db2.gz WFAOUNOGQYXPRX-HZPDHXFCSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3cc(F)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246877294 804574896 /nfs/dbraw/zinc/57/48/96/804574896.db2.gz BLJFWZWIOKVOGU-PIIMJCKOSA-N 2 1 290.426 3.493 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3cc(F)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246877294 804574901 /nfs/dbraw/zinc/57/49/01/804574901.db2.gz BLJFWZWIOKVOGU-PIIMJCKOSA-N 2 1 290.426 3.493 20 0 CGADMP CCCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880785 804576913 /nfs/dbraw/zinc/57/69/13/804576913.db2.gz SHSRUHOPFINHAN-JQHSSLGASA-N 2 1 272.436 3.038 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001246878601 804576995 /nfs/dbraw/zinc/57/69/95/804576995.db2.gz RUVGZYZPESNACV-GJZGRUSLSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001246878601 804576998 /nfs/dbraw/zinc/57/69/98/804576998.db2.gz RUVGZYZPESNACV-GJZGRUSLSA-N 2 1 278.465 3.159 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001246888017 804581736 /nfs/dbraw/zinc/58/17/36/804581736.db2.gz QCNZDKVRAMVDPC-IUODEOHRSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001246888017 804581741 /nfs/dbraw/zinc/58/17/41/804581741.db2.gz QCNZDKVRAMVDPC-IUODEOHRSA-N 2 1 266.816 3.475 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H](C)CC23CC3)CC[NH2+]1 ZINC001246892750 804582805 /nfs/dbraw/zinc/58/28/05/804582805.db2.gz IRCWATGDAWXRSQ-RBSFLKMASA-N 2 1 250.430 3.172 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2ccc(C)cc2C1 ZINC001246893572 804584901 /nfs/dbraw/zinc/58/49/01/804584901.db2.gz KSPDEDRCZNPJFO-LJQANCHMSA-N 2 1 286.463 3.316 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246899991 804587116 /nfs/dbraw/zinc/58/71/16/804587116.db2.gz HAFYTAWETKMRAK-HBUWYVDXSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246899991 804587122 /nfs/dbraw/zinc/58/71/22/804587122.db2.gz HAFYTAWETKMRAK-HBUWYVDXSA-N 2 1 283.419 3.445 20 0 CGADMP CC[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246900913 804588124 /nfs/dbraw/zinc/58/81/24/804588124.db2.gz URRJRZHLGYQOTQ-GVDBMIGSSA-N 2 1 276.399 3.493 20 0 CGADMP CCC[N@@H+](CC(C)C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246911966 804595158 /nfs/dbraw/zinc/59/51/58/804595158.db2.gz PSYDSHVJTFLBKT-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H]1CC([N@@H+](CC2CC2)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246911073 804595189 /nfs/dbraw/zinc/59/51/89/804595189.db2.gz DTFOYNLMBVVPRO-KBPBESRZSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246917803 804598074 /nfs/dbraw/zinc/59/80/74/804598074.db2.gz BBMHYBWNDRAGED-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]1C[C@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246917803 804598078 /nfs/dbraw/zinc/59/80/78/804598078.db2.gz BBMHYBWNDRAGED-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP Fc1ccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246934397 804606712 /nfs/dbraw/zinc/60/67/12/804606712.db2.gz IGAQICYMDQZVNA-ATLSCFEFSA-N 2 1 288.410 3.178 20 0 CGADMP Fc1ccc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246934397 804606716 /nfs/dbraw/zinc/60/67/16/804606716.db2.gz IGAQICYMDQZVNA-ATLSCFEFSA-N 2 1 288.410 3.178 20 0 CGADMP CSCC[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246939785 804611025 /nfs/dbraw/zinc/61/10/25/804611025.db2.gz VHAQLFTYIMFMSJ-LSDHHAIUSA-N 2 1 284.513 3.372 20 0 CGADMP CCCC[C@H](CC)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246951679 804615329 /nfs/dbraw/zinc/61/53/29/804615329.db2.gz WKPMJDVAPLTNOC-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246967833 804620433 /nfs/dbraw/zinc/62/04/33/804620433.db2.gz ONKKPQBNWVUIDD-MSOLQXFVSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+](C1CCC1)C1CC[NH2+]CC1)C2 ZINC001246978885 804625353 /nfs/dbraw/zinc/62/53/53/804625353.db2.gz WZXCBQABTHSROB-LJQANCHMSA-N 2 1 298.474 3.459 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246978533 804625428 /nfs/dbraw/zinc/62/54/28/804625428.db2.gz VWXDFFJNRBHWGH-HTWGDNNSSA-N 2 1 296.817 3.079 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(F)cc1 ZINC001246977699 804625697 /nfs/dbraw/zinc/62/56/97/804625697.db2.gz UCFLVYVZBAXRHR-GDBMZVCRSA-N 2 1 278.415 3.078 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CSc2ccccc2C1 ZINC001246997438 804632831 /nfs/dbraw/zinc/63/28/31/804632831.db2.gz VOVFNASMBFKEPF-ZBFHGGJFSA-N 2 1 290.476 3.025 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001247001178 804634069 /nfs/dbraw/zinc/63/40/69/804634069.db2.gz JPDHYOFFINOHKH-DLBZAZTESA-N 2 1 292.854 3.258 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247004474 804635711 /nfs/dbraw/zinc/63/57/11/804635711.db2.gz RTBMLYXRARQAGA-IAGOWNOFSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247006260 804637142 /nfs/dbraw/zinc/63/71/42/804637142.db2.gz XMSMJNBPDTWMGW-XJKSGUPXSA-N 2 1 280.843 3.332 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012567 804639828 /nfs/dbraw/zinc/63/98/28/804639828.db2.gz FKEMLENBEMZSIF-KURKYZTESA-N 2 1 272.436 3.082 20 0 CGADMP CCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012200 804640292 /nfs/dbraw/zinc/64/02/92/804640292.db2.gz CUONBFTXPLYHDU-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012200 804640298 /nfs/dbraw/zinc/64/02/98/804640298.db2.gz CUONBFTXPLYHDU-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CC1(C)CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247013089 804641202 /nfs/dbraw/zinc/64/12/02/804641202.db2.gz FNKVELMUSZDEPU-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247013089 804641208 /nfs/dbraw/zinc/64/12/08/804641208.db2.gz FNKVELMUSZDEPU-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016680 804644370 /nfs/dbraw/zinc/64/43/70/804644370.db2.gz WUMKDXVUTSOITO-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016680 804644373 /nfs/dbraw/zinc/64/43/73/804644373.db2.gz WUMKDXVUTSOITO-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001142349223 804717724 /nfs/dbraw/zinc/71/77/24/804717724.db2.gz VVTFMRYKFYBGNA-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001142349223 804717726 /nfs/dbraw/zinc/71/77/26/804717726.db2.gz VVTFMRYKFYBGNA-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP C[N@@H+](CC1CC(F)(F)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861652 806994115 /nfs/dbraw/zinc/99/41/15/806994115.db2.gz UHTRRXBDEBQFDD-UHFFFAOYSA-N 2 1 295.377 3.028 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CCO2 ZINC001257210026 807060941 /nfs/dbraw/zinc/06/09/41/807060941.db2.gz FFJGCDGIMRXUKD-QGZVFWFLSA-N 2 1 288.435 3.281 20 0 CGADMP CCC[C@H](CC)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001257264883 807079269 /nfs/dbraw/zinc/07/92/69/807079269.db2.gz VKBJNGXYOIMSEA-DOTOQJQBSA-N 2 1 282.472 3.140 20 0 CGADMP CCC(CC)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257295838 807089973 /nfs/dbraw/zinc/08/99/73/807089973.db2.gz CTDXHMIINOZZSL-HNNXBMFYSA-N 2 1 282.472 3.187 20 0 CGADMP CCCC(CCC)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001257331490 807111877 /nfs/dbraw/zinc/11/18/77/807111877.db2.gz IONZURBEQYMVLY-UHFFFAOYSA-N 2 1 275.440 3.300 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001257486476 807180244 /nfs/dbraw/zinc/18/02/44/807180244.db2.gz WIHPVFVRQDSCOM-VVLHAWIVSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001257486476 807180248 /nfs/dbraw/zinc/18/02/48/807180248.db2.gz WIHPVFVRQDSCOM-VVLHAWIVSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001257486476 807180254 /nfs/dbraw/zinc/18/02/54/807180254.db2.gz WIHPVFVRQDSCOM-VVLHAWIVSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257826452 807222312 /nfs/dbraw/zinc/22/23/12/807222312.db2.gz UUSARDNHQSBFBK-ZLPCBKJTSA-N 2 1 290.451 3.041 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001167826816 807256334 /nfs/dbraw/zinc/25/63/34/807256334.db2.gz RKCQGZCOBROTFA-ZIAGYGMSSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001167838162 807259472 /nfs/dbraw/zinc/25/94/72/807259472.db2.gz QYZFZPGNCDPGFV-FUHWJXTLSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001167838101 807259524 /nfs/dbraw/zinc/25/95/24/807259524.db2.gz PWRLXTQRJHTLPC-XHSDSOJGSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3cnccc32)CC1 ZINC001258008796 807263983 /nfs/dbraw/zinc/26/39/83/807263983.db2.gz FVNZITUSWPTQNP-GOSISDBHSA-N 2 1 287.451 3.169 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001258016972 807265927 /nfs/dbraw/zinc/26/59/27/807265927.db2.gz PEQPSRODDKWLMF-ZDUSSCGKSA-N 2 1 274.399 3.084 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258074297 807290998 /nfs/dbraw/zinc/29/09/98/807290998.db2.gz IYLMLCANDRIDGP-HUUCEWRRSA-N 2 1 263.429 3.202 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258074297 807291002 /nfs/dbraw/zinc/29/10/02/807291002.db2.gz IYLMLCANDRIDGP-HUUCEWRRSA-N 2 1 263.429 3.202 20 0 CGADMP CCOC(=O)CCC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258111852 807312185 /nfs/dbraw/zinc/31/21/85/807312185.db2.gz DYNFKFOOAVPIKF-JYJNAYRXSA-N 2 1 298.471 3.089 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168104234 807312304 /nfs/dbraw/zinc/31/23/04/807312304.db2.gz USCKKCVVDXJYPF-MUIFIZLQSA-N 2 1 280.456 3.068 20 0 CGADMP c1ccc(CC[NH+]2CCC([N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC001258147488 807319561 /nfs/dbraw/zinc/31/95/61/807319561.db2.gz MCGZWXZNKPCMDC-PKOBYXMFSA-N 2 1 284.447 3.178 20 0 CGADMP c1ccc(CC[NH+]2CCC([N@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC001258147488 807319568 /nfs/dbraw/zinc/31/95/68/807319568.db2.gz MCGZWXZNKPCMDC-PKOBYXMFSA-N 2 1 284.447 3.178 20 0 CGADMP CC1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001168209206 807349498 /nfs/dbraw/zinc/34/94/98/807349498.db2.gz NBDLUOBMOFGDOK-HWOWSKLDSA-N 2 1 252.446 3.406 20 0 CGADMP CSCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258217177 807368433 /nfs/dbraw/zinc/36/84/33/807368433.db2.gz LWYHNPZKKBVRKX-OAHLLOKOSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001168330265 807386561 /nfs/dbraw/zinc/38/65/61/807386561.db2.gz OJYAOCANIPONJU-UHFFFAOYSA-N 2 1 294.389 3.196 20 0 CGADMP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC001168351207 807389792 /nfs/dbraw/zinc/38/97/92/807389792.db2.gz MFJXJFOECUWNBE-UHFFFAOYSA-N 2 1 296.817 3.443 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168371585 807395959 /nfs/dbraw/zinc/39/59/59/807395959.db2.gz OZZPMXZTALESAD-UHFFFAOYSA-N 2 1 276.399 3.132 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168371585 807395965 /nfs/dbraw/zinc/39/59/65/807395965.db2.gz OZZPMXZTALESAD-UHFFFAOYSA-N 2 1 276.399 3.132 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373780 807396952 /nfs/dbraw/zinc/39/69/52/807396952.db2.gz UKIMLUNJKKVSCF-OAHLLOKOSA-N 2 1 284.447 3.480 20 0 CGADMP C[N@@H+](CCCc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168380331 807400089 /nfs/dbraw/zinc/40/00/89/807400089.db2.gz RFGZDIXRMGNPRS-UHFFFAOYSA-N 2 1 286.463 3.425 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168443561 807416966 /nfs/dbraw/zinc/41/69/66/807416966.db2.gz CHZYUFMIGWQEIS-GOSISDBHSA-N 2 1 290.426 3.099 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168443561 807416968 /nfs/dbraw/zinc/41/69/68/807416968.db2.gz CHZYUFMIGWQEIS-GOSISDBHSA-N 2 1 290.426 3.099 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001168495503 807436305 /nfs/dbraw/zinc/43/63/05/807436305.db2.gz GWYNSZWZYQYRRP-HNNXBMFYSA-N 2 1 290.426 3.174 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC001258391414 807437004 /nfs/dbraw/zinc/43/70/04/807437004.db2.gz ZVZLVJVQPRJKHK-DOTOQJQBSA-N 2 1 290.451 3.090 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258460958 807463840 /nfs/dbraw/zinc/46/38/40/807463840.db2.gz MJOPWDYDKVGSFW-GOEBONIOSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](Cc1cccnc1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258619822 807513399 /nfs/dbraw/zinc/51/33/99/807513399.db2.gz YJFFIHPWAZYNQF-ZVZYQTTQSA-N 2 1 287.451 3.137 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258649924 807521923 /nfs/dbraw/zinc/52/19/23/807521923.db2.gz UWFLYPVTYIMCMJ-MSOLQXFVSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001258689711 807546325 /nfs/dbraw/zinc/54/63/25/807546325.db2.gz IVLYNQATKKPGFW-YHUYYLMFSA-N 2 1 294.483 3.172 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC001169051209 807559703 /nfs/dbraw/zinc/55/97/03/807559703.db2.gz VLPUGWSYSMLZDX-SFHVURJKSA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001169062038 807563411 /nfs/dbraw/zinc/56/34/11/807563411.db2.gz QDHSMXPLDOPWQI-NVXWUHKLSA-N 2 1 262.441 3.170 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082020 807569120 /nfs/dbraw/zinc/56/91/20/807569120.db2.gz XHEUEPBTMWTJJY-QCODTGAPSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC001169081632 807569151 /nfs/dbraw/zinc/56/91/51/807569151.db2.gz UWHFPEBGISJWQB-QDMKHBRRSA-N 2 1 264.800 3.055 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC001169081632 807569154 /nfs/dbraw/zinc/56/91/54/807569154.db2.gz UWHFPEBGISJWQB-QDMKHBRRSA-N 2 1 264.800 3.055 20 0 CGADMP Cc1cc(F)cc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090895 807571022 /nfs/dbraw/zinc/57/10/22/807571022.db2.gz NMJJCAWFRWBETP-MUJYYYPQSA-N 2 1 276.399 3.157 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC001169091763 807571870 /nfs/dbraw/zinc/57/18/70/807571870.db2.gz UXZRCRXJHACFIN-JGPRNRPPSA-N 2 1 270.829 3.116 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC001169091763 807571876 /nfs/dbraw/zinc/57/18/76/807571876.db2.gz UXZRCRXJHACFIN-JGPRNRPPSA-N 2 1 270.829 3.116 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1c1cccc(Cl)c1)C2 ZINC001169099635 807575192 /nfs/dbraw/zinc/57/51/92/807575192.db2.gz CZQPWEGILSUYHN-JJTUDDRGSA-N 2 1 290.838 3.411 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC001169098093 807576718 /nfs/dbraw/zinc/57/67/18/807576718.db2.gz FVIFZUPILJTUMI-QKDCVEJESA-N 2 1 270.376 3.148 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC001169098093 807576723 /nfs/dbraw/zinc/57/67/23/807576723.db2.gz FVIFZUPILJTUMI-QKDCVEJESA-N 2 1 270.376 3.148 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001169100964 807576916 /nfs/dbraw/zinc/57/69/16/807576916.db2.gz NCBAASGWWMRHKP-NSIVTLKISA-N 2 1 270.420 3.450 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3ccoc3c1)C2 ZINC001169108549 807578035 /nfs/dbraw/zinc/57/80/35/807578035.db2.gz BCLQFSLQCBWNBT-PHZGNYQRSA-N 2 1 270.376 3.148 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(CC3CCC3)CC1)C2 ZINC001169115027 807580153 /nfs/dbraw/zinc/58/01/53/807580153.db2.gz HAMXMGGTCXUBFF-PHZGNYQRSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001169118611 807583073 /nfs/dbraw/zinc/58/30/73/807583073.db2.gz LVWULVGIKRPBMA-BJWYYQGGSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C2 ZINC001169118226 807583853 /nfs/dbraw/zinc/58/38/53/807583853.db2.gz FPRXMFVAPGLUHH-CNDDSTCGSA-N 2 1 278.362 3.180 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169126455 807584943 /nfs/dbraw/zinc/58/49/43/807584943.db2.gz UAANTUSUOQAMDF-FVQHAEBGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169126455 807584945 /nfs/dbraw/zinc/58/49/45/807584945.db2.gz UAANTUSUOQAMDF-FVQHAEBGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1cccc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169126455 807584947 /nfs/dbraw/zinc/58/49/47/807584947.db2.gz UAANTUSUOQAMDF-FVQHAEBGSA-N 2 1 258.409 3.052 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccc(F)cc3)C1)C2 ZINC001169143466 807589673 /nfs/dbraw/zinc/58/96/73/807589673.db2.gz FPNAIHVUOXFRLU-OWLYRPNTSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3ccc(F)cc3)C1)C2 ZINC001169143466 807589675 /nfs/dbraw/zinc/58/96/75/807589675.db2.gz FPNAIHVUOXFRLU-OWLYRPNTSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](c3ccc(F)cc3)C1)C2 ZINC001169143466 807589677 /nfs/dbraw/zinc/58/96/77/807589677.db2.gz FPNAIHVUOXFRLU-OWLYRPNTSA-N 2 1 288.410 3.240 20 0 CGADMP CCCC[C@@H](CCC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258756020 807596040 /nfs/dbraw/zinc/59/60/40/807596040.db2.gz FSXHBPQJZJYEBL-QZTJIDSGSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@@H](CCC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258756020 807596047 /nfs/dbraw/zinc/59/60/47/807596047.db2.gz FSXHBPQJZJYEBL-QZTJIDSGSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CC1)C2 ZINC001169155260 807596244 /nfs/dbraw/zinc/59/62/44/807596244.db2.gz LUFSRFRYXMOKCX-BCDXTJNWSA-N 2 1 270.420 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CC1)C2 ZINC001169155260 807596251 /nfs/dbraw/zinc/59/62/51/807596251.db2.gz LUFSRFRYXMOKCX-BCDXTJNWSA-N 2 1 270.420 3.276 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1)C1CC1)C2 ZINC001169155260 807596256 /nfs/dbraw/zinc/59/62/56/807596256.db2.gz LUFSRFRYXMOKCX-BCDXTJNWSA-N 2 1 270.420 3.276 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)C1CC1)C2 ZINC001169155260 807596261 /nfs/dbraw/zinc/59/62/61/807596261.db2.gz LUFSRFRYXMOKCX-BCDXTJNWSA-N 2 1 270.420 3.276 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258767859 807602952 /nfs/dbraw/zinc/60/29/52/807602952.db2.gz YFXBXVNHABYDIR-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc3onc(C)c3c2)CC1 ZINC001258769494 807603840 /nfs/dbraw/zinc/60/38/40/807603840.db2.gz QDFAKFCAZMLJFR-UHFFFAOYSA-N 2 1 287.407 3.100 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001258771466 807604781 /nfs/dbraw/zinc/60/47/81/807604781.db2.gz DBJRAIIAAGUJEU-HNNXBMFYSA-N 2 1 272.436 3.480 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001258771466 807604783 /nfs/dbraw/zinc/60/47/83/807604783.db2.gz DBJRAIIAAGUJEU-HNNXBMFYSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2ccccc2F)CC1 ZINC001169233099 807611230 /nfs/dbraw/zinc/61/12/30/807611230.db2.gz KPCOKODMGWPSTD-UHFFFAOYSA-N 2 1 278.415 3.221 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1)C1CC[NH+](CC)CC1 ZINC001169261149 807618476 /nfs/dbraw/zinc/61/84/76/807618476.db2.gz ALZZNIJHGIKNAT-UHFFFAOYSA-N 2 1 260.425 3.301 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C1CC[NH+](CC)CC1 ZINC001169261149 807618477 /nfs/dbraw/zinc/61/84/77/807618477.db2.gz ALZZNIJHGIKNAT-UHFFFAOYSA-N 2 1 260.425 3.301 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001258816252 807633890 /nfs/dbraw/zinc/63/38/90/807633890.db2.gz ANLYPNAPKSSXHW-BZUAXINKSA-N 2 1 252.446 3.406 20 0 CGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258826092 807640244 /nfs/dbraw/zinc/64/02/44/807640244.db2.gz HKDWMYILRIGLBQ-KBAYOESNSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258835315 807649058 /nfs/dbraw/zinc/64/90/58/807649058.db2.gz VYKVHAAAOPOTIM-CVEARBPZSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)CC(CC(C)C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258835315 807649062 /nfs/dbraw/zinc/64/90/62/807649062.db2.gz VYKVHAAAOPOTIM-CVEARBPZSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258836297 807649993 /nfs/dbraw/zinc/64/99/93/807649993.db2.gz RVOUCZIGJHBANY-UHFFFAOYSA-N 2 1 263.429 3.202 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258836297 807650000 /nfs/dbraw/zinc/65/00/00/807650000.db2.gz RVOUCZIGJHBANY-UHFFFAOYSA-N 2 1 263.429 3.202 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC001261254985 807722541 /nfs/dbraw/zinc/72/25/41/807722541.db2.gz IQEOCTWQGOYUCE-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C=C/C=C/CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001169900037 807722704 /nfs/dbraw/zinc/72/27/04/807722704.db2.gz LEYPDHKXOFTRDN-HDAKTPJGSA-N 2 1 282.431 3.183 20 0 CGADMP C=C/C=C/CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169900037 807722707 /nfs/dbraw/zinc/72/27/07/807722707.db2.gz LEYPDHKXOFTRDN-HDAKTPJGSA-N 2 1 282.431 3.183 20 0 CGADMP C=C/C=C/CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169900037 807722710 /nfs/dbraw/zinc/72/27/10/807722710.db2.gz LEYPDHKXOFTRDN-HDAKTPJGSA-N 2 1 282.431 3.183 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169975793 807732762 /nfs/dbraw/zinc/73/27/62/807732762.db2.gz WRFOGDLXMXRDJF-UHFFFAOYSA-N 2 1 299.503 3.109 20 0 CGADMP CCCC[N@H+](CC)CCNC1CC(C)(C)N(O)C(C)(C)C1 ZINC001169974677 807733146 /nfs/dbraw/zinc/73/31/46/807733146.db2.gz KLAXXBVADAVZIA-UHFFFAOYSA-N 2 1 299.503 3.109 20 0 CGADMP CCCC[N@@H+](CC)CCNC1CC(C)(C)N(O)C(C)(C)C1 ZINC001169974677 807733149 /nfs/dbraw/zinc/73/31/49/807733149.db2.gz KLAXXBVADAVZIA-UHFFFAOYSA-N 2 1 299.503 3.109 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001170088173 807753441 /nfs/dbraw/zinc/75/34/41/807753441.db2.gz OTJXCLBSPCZHAD-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001170088173 807753442 /nfs/dbraw/zinc/75/34/42/807753442.db2.gz OTJXCLBSPCZHAD-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001170088173 807753446 /nfs/dbraw/zinc/75/34/46/807753446.db2.gz OTJXCLBSPCZHAD-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170122400 807767505 /nfs/dbraw/zinc/76/75/05/807767505.db2.gz QBMAJZOUXYMGDM-LEUOFYLZSA-N 2 1 287.451 3.342 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCO1 ZINC001170222670 807796838 /nfs/dbraw/zinc/79/68/38/807796838.db2.gz OPRRZZDFTPMNAL-OKZBNKHCSA-N 2 1 294.483 3.284 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCOCC2CC2)C1)C1CCCC1 ZINC001261890812 807798661 /nfs/dbraw/zinc/79/86/61/807798661.db2.gz POCKIOKLIPXRJH-WMZOPIPTSA-N 2 1 294.483 3.033 20 0 CGADMP C[NH+]1C(C)(C)CC(Nc2cccn3c[nH+]cc23)CC1(C)C ZINC001170452706 807845452 /nfs/dbraw/zinc/84/54/52/807845452.db2.gz AAHQUQLEBQFJIK-UHFFFAOYSA-N 2 1 286.423 3.398 20 0 CGADMP CSC(C)(C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262379276 807863242 /nfs/dbraw/zinc/86/32/42/807863242.db2.gz WJFBCSOXVMBICS-SOUVJXGZSA-N 2 1 284.513 3.180 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001170730646 807890166 /nfs/dbraw/zinc/89/01/66/807890166.db2.gz KKJVVIJBHBMBKF-TXCZRRACSA-N 2 1 276.468 3.418 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001170730646 807890175 /nfs/dbraw/zinc/89/01/75/807890175.db2.gz KKJVVIJBHBMBKF-TXCZRRACSA-N 2 1 276.468 3.418 20 0 CGADMP Cc1ccc[nH+]c1N([C@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH2+]CC1 ZINC001170766836 807904190 /nfs/dbraw/zinc/90/41/90/807904190.db2.gz OSMSPTBQYVBQNI-BJWYYQGGSA-N 2 1 299.462 3.383 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171024554 807962335 /nfs/dbraw/zinc/96/23/35/807962335.db2.gz JTSCZLNZRIMITF-CABCVRRESA-N 2 1 292.854 3.271 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001171559414 808095149 /nfs/dbraw/zinc/09/51/49/808095149.db2.gz FBCJBEBMUZJKMN-CADBVGFASA-N 2 1 298.474 3.457 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001171559414 808095154 /nfs/dbraw/zinc/09/51/54/808095154.db2.gz FBCJBEBMUZJKMN-CADBVGFASA-N 2 1 298.474 3.457 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]C2(c3ccncc3)CC2)CC1(C)C ZINC001171622282 808106084 /nfs/dbraw/zinc/10/60/84/808106084.db2.gz ZDGVLZRGHLUFGI-UHFFFAOYSA-N 2 1 287.451 3.312 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCCCCC1)C2 ZINC001172098588 808170966 /nfs/dbraw/zinc/17/09/66/808170966.db2.gz ASCGPQZOYLSGFG-PHZGNYQRSA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCCCCC1)C2 ZINC001172098588 808170968 /nfs/dbraw/zinc/17/09/68/808170968.db2.gz ASCGPQZOYLSGFG-PHZGNYQRSA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC001172099303 808171445 /nfs/dbraw/zinc/17/14/45/808171445.db2.gz GZQGHLXSLLSLIN-MUJYYYPQSA-N 2 1 278.827 3.445 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104134 808173656 /nfs/dbraw/zinc/17/36/56/808173656.db2.gz DCRCYUNOTHOULT-FJIDUMEYSA-N 3 1 295.515 3.102 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104134 808173659 /nfs/dbraw/zinc/17/36/59/808173659.db2.gz DCRCYUNOTHOULT-FJIDUMEYSA-N 3 1 295.515 3.102 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)C2 ZINC001172104326 808174707 /nfs/dbraw/zinc/17/47/07/808174707.db2.gz DXCJVWBMTPKWPL-JCECYMMASA-N 2 1 270.420 3.147 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)C2 ZINC001172104326 808174712 /nfs/dbraw/zinc/17/47/12/808174712.db2.gz DXCJVWBMTPKWPL-JCECYMMASA-N 2 1 270.420 3.147 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C2 ZINC001172107779 808175880 /nfs/dbraw/zinc/17/58/80/808175880.db2.gz CDQWAERMJFXMKC-APIJFGDWSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C2 ZINC001172107779 808175884 /nfs/dbraw/zinc/17/58/84/808175884.db2.gz CDQWAERMJFXMKC-APIJFGDWSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107175 808176793 /nfs/dbraw/zinc/17/67/93/808176793.db2.gz UCGJGUXEKAWOCM-XFIYOXNOSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107175 808176797 /nfs/dbraw/zinc/17/67/97/808176797.db2.gz UCGJGUXEKAWOCM-XFIYOXNOSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(O)cc1 ZINC001172105430 808177206 /nfs/dbraw/zinc/17/72/06/808177206.db2.gz HWCOPVRTRDVOSL-QCEMKRCNSA-N 2 1 274.408 3.058 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001172105430 808177213 /nfs/dbraw/zinc/17/72/13/808177213.db2.gz HWCOPVRTRDVOSL-QCEMKRCNSA-N 2 1 274.408 3.058 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172106217 808177235 /nfs/dbraw/zinc/17/72/35/808177235.db2.gz NOCAQMTVSLWGCZ-VXIBKDFQSA-N 2 1 299.462 3.446 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc3ccncc31)C2 ZINC001172109273 808178433 /nfs/dbraw/zinc/17/84/33/808178433.db2.gz JKURRMYYWAOVDF-BCDXTJNWSA-N 2 1 295.430 3.340 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113561 808179871 /nfs/dbraw/zinc/17/98/71/808179871.db2.gz KIHUQYVPNMEOTE-DGXTUMSLSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113561 808179876 /nfs/dbraw/zinc/17/98/76/808179876.db2.gz KIHUQYVPNMEOTE-DGXTUMSLSA-N 2 1 250.430 3.265 20 0 CGADMP Cc1cc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)no1 ZINC001172114663 808180908 /nfs/dbraw/zinc/18/09/08/808180908.db2.gz RXCLJDANVKWGGD-WBTNSWJXSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC001172114663 808180913 /nfs/dbraw/zinc/18/09/13/808180913.db2.gz RXCLJDANVKWGGD-WBTNSWJXSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001172114663 808180917 /nfs/dbraw/zinc/18/09/17/808180917.db2.gz RXCLJDANVKWGGD-WBTNSWJXSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001172114663 808180922 /nfs/dbraw/zinc/18/09/22/808180922.db2.gz RXCLJDANVKWGGD-WBTNSWJXSA-N 2 1 289.423 3.135 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113564 808181220 /nfs/dbraw/zinc/18/12/20/808181220.db2.gz KIHUQYVPNMEOTE-SUJAAXHWSA-N 2 1 250.430 3.265 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113564 808181221 /nfs/dbraw/zinc/18/12/21/808181221.db2.gz KIHUQYVPNMEOTE-SUJAAXHWSA-N 2 1 250.430 3.265 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](C)(F)CC1)C2 ZINC001172120045 808183069 /nfs/dbraw/zinc/18/30/69/808183069.db2.gz JFAPLZIKYYEMNJ-JJXSEGSLSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](C)(F)CC1)C2 ZINC001172120045 808183073 /nfs/dbraw/zinc/18/30/73/808183073.db2.gz JFAPLZIKYYEMNJ-JJXSEGSLSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@](C)(F)CC1)C2 ZINC001172120045 808183077 /nfs/dbraw/zinc/18/30/77/808183077.db2.gz JFAPLZIKYYEMNJ-JJXSEGSLSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@](C)(F)CC1)C2 ZINC001172120045 808183080 /nfs/dbraw/zinc/18/30/80/808183080.db2.gz JFAPLZIKYYEMNJ-JJXSEGSLSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC13CCCCC3)C2 ZINC001172120012 808184409 /nfs/dbraw/zinc/18/44/09/808184409.db2.gz IROSKYMWXGDIEH-ZSHCYNCHSA-N 2 1 262.441 3.410 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC13CCCCC3)C2 ZINC001172120012 808184411 /nfs/dbraw/zinc/18/44/11/808184411.db2.gz IROSKYMWXGDIEH-ZSHCYNCHSA-N 2 1 262.441 3.410 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC13CCCCC3)C2 ZINC001172120012 808184413 /nfs/dbraw/zinc/18/44/13/808184413.db2.gz IROSKYMWXGDIEH-ZSHCYNCHSA-N 2 1 262.441 3.410 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128248 808186888 /nfs/dbraw/zinc/18/68/88/808186888.db2.gz QHHXEULWYZYAHJ-FZDIXFNVSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128248 808186891 /nfs/dbraw/zinc/18/68/91/808186891.db2.gz QHHXEULWYZYAHJ-FZDIXFNVSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128248 808186893 /nfs/dbraw/zinc/18/68/93/808186893.db2.gz QHHXEULWYZYAHJ-FZDIXFNVSA-N 2 1 284.447 3.449 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccco1)C1CC1)C2 ZINC001172127000 808187197 /nfs/dbraw/zinc/18/71/97/808187197.db2.gz FIHWGIUNGUARSY-MUJYYYPQSA-N 2 1 274.408 3.259 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccco1)C1CC1)C2 ZINC001172127000 808187202 /nfs/dbraw/zinc/18/72/02/808187202.db2.gz FIHWGIUNGUARSY-MUJYYYPQSA-N 2 1 274.408 3.259 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccco1)C1CC1)C2 ZINC001172127000 808187206 /nfs/dbraw/zinc/18/72/06/808187206.db2.gz FIHWGIUNGUARSY-MUJYYYPQSA-N 2 1 274.408 3.259 20 0 CGADMP CCCCC1CC[NH+](C2CC[NH+](CCCOC)CC2)CC1 ZINC001172251506 808209810 /nfs/dbraw/zinc/20/98/10/808209810.db2.gz RSNJKOMKHYLJRB-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP CC1(C)C[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172281600 808213571 /nfs/dbraw/zinc/21/35/71/808213571.db2.gz KTZLOGZEWUVUHX-BPUTZDHNSA-N 2 1 280.456 3.068 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@H]1C ZINC001172373687 808268122 /nfs/dbraw/zinc/26/81/22/808268122.db2.gz MXDHRQUTUSKBBS-BFYDXBDKSA-N 2 1 276.468 3.229 20 0 CGADMP CC(C)OCC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001172439498 808314868 /nfs/dbraw/zinc/31/48/68/808314868.db2.gz FAXMQQVAABFFGX-SJORKVTESA-N 2 1 292.467 3.287 20 0 CGADMP CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172441123 808316358 /nfs/dbraw/zinc/31/63/58/808316358.db2.gz SLZPDFXMPSCUNV-HZPDHXFCSA-N 2 1 270.461 3.031 20 0 CGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C(C)(C)C[NH3+] ZINC001172578067 808396362 /nfs/dbraw/zinc/39/63/62/808396362.db2.gz ZDJGHPIMUZKDJM-SECBINFHSA-N 2 1 290.785 3.266 20 0 CGADMP CC[C@H]1CC[C@H](C2CCC([NH2+][C@@H]3C[C@H]3[NH3+])CC2)CC1 ZINC001172586130 808396603 /nfs/dbraw/zinc/39/66/03/808396603.db2.gz GAJHJGZRAKYHQU-VXUHYDPTSA-N 2 1 264.457 3.451 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1C1CCC2(CCCC2)CC1 ZINC001172728788 808423834 /nfs/dbraw/zinc/42/38/34/808423834.db2.gz NMSLBUGNDGAHOL-UHFFFAOYSA-N 2 1 261.413 3.450 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172845070 808459458 /nfs/dbraw/zinc/45/94/58/808459458.db2.gz KTOLRVDJWTVVJI-CHWSQXEVSA-N 2 1 298.833 3.342 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172855835 808463185 /nfs/dbraw/zinc/46/31/85/808463185.db2.gz HZHSKMLFKPCNTH-WFASDCNBSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172881288 808474849 /nfs/dbraw/zinc/47/48/49/808474849.db2.gz ZTMDXWOCLFDXIV-RYUDHWBXSA-N 2 1 286.872 3.347 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC(F)(F)[C@@H](F)C2)CC1 ZINC001173110791 808513641 /nfs/dbraw/zinc/51/36/41/808513641.db2.gz XTUXZEKRKZEITN-RUXDESIVSA-N 2 1 292.389 3.319 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2C(C)=O)CC1 ZINC001173113388 808513779 /nfs/dbraw/zinc/51/37/79/808513779.db2.gz OZUHKWVPECEROO-OFLPRAFFSA-N 2 1 280.456 3.083 20 0 CGADMP CCSC[C@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001173291149 808591130 /nfs/dbraw/zinc/59/11/30/808591130.db2.gz MAHJAAXIQNOBAK-AWEZNQCLSA-N 2 1 293.480 3.090 20 0 CGADMP CCSC[C@@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001173304200 808601415 /nfs/dbraw/zinc/60/14/15/808601415.db2.gz GBIGFKPMWGTHPX-CVEARBPZSA-N 2 1 284.513 3.468 20 0 CGADMP COCCC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001274939313 808892343 /nfs/dbraw/zinc/89/23/43/808892343.db2.gz GMFWLKFCMFPGAL-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCCc3ccccc3)C2)C1 ZINC001275110462 808909514 /nfs/dbraw/zinc/90/95/14/808909514.db2.gz XPXHRVKINYRMPK-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCCc3ccccc3)C2)C1 ZINC001275110462 808909519 /nfs/dbraw/zinc/90/95/19/808909519.db2.gz XPXHRVKINYRMPK-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCCc3ccccc3)C2)C1 ZINC001275110462 808909522 /nfs/dbraw/zinc/90/95/22/808909522.db2.gz XPXHRVKINYRMPK-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP CCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275120986 808912374 /nfs/dbraw/zinc/91/23/74/808912374.db2.gz REDLTZBLDWLFIZ-UHFFFAOYSA-N 2 1 289.467 3.493 20 0 CGADMP CCOc1ccccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275264835 808924414 /nfs/dbraw/zinc/92/44/14/808924414.db2.gz FXQMAOYESRCLFB-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)oc1C ZINC001276174945 808991821 /nfs/dbraw/zinc/99/18/21/808991821.db2.gz FCMXOHRDNJTMBD-UHFFFAOYSA-N 2 1 276.424 3.204 20 0 CGADMP Cc1nc(C)c(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)s1 ZINC001276266460 808997782 /nfs/dbraw/zinc/99/77/82/808997782.db2.gz CDZUQTHUIWNSFF-INIZCTEOSA-N 2 1 293.480 3.068 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)s1 ZINC001276266460 808997784 /nfs/dbraw/zinc/99/77/84/808997784.db2.gz CDZUQTHUIWNSFF-INIZCTEOSA-N 2 1 293.480 3.068 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)s1 ZINC001276266460 808997788 /nfs/dbraw/zinc/99/77/88/808997788.db2.gz CDZUQTHUIWNSFF-INIZCTEOSA-N 2 1 293.480 3.068 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)s1 ZINC001276266460 808997789 /nfs/dbraw/zinc/99/77/89/808997789.db2.gz CDZUQTHUIWNSFF-INIZCTEOSA-N 2 1 293.480 3.068 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]2CC1 ZINC001276297988 808999565 /nfs/dbraw/zinc/99/95/65/808999565.db2.gz SYTSDMACDRQRGG-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]2CC1 ZINC001276297988 808999575 /nfs/dbraw/zinc/99/95/75/808999575.db2.gz SYTSDMACDRQRGG-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C(C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001276513684 809013910 /nfs/dbraw/zinc/01/39/10/809013910.db2.gz RZDBTAQLQWLAAN-CALCHBBNSA-N 2 1 276.468 3.373 20 0 CGADMP C(C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001276513684 809013917 /nfs/dbraw/zinc/01/39/17/809013917.db2.gz RZDBTAQLQWLAAN-CALCHBBNSA-N 2 1 276.468 3.373 20 0 CGADMP C(C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001276513684 809013925 /nfs/dbraw/zinc/01/39/25/809013925.db2.gz RZDBTAQLQWLAAN-CALCHBBNSA-N 2 1 276.468 3.373 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cs3)C[C@H]2CC1 ZINC001276630540 809021801 /nfs/dbraw/zinc/02/18/01/809021801.db2.gz CDDNYXLICCYSGT-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cs3)C[C@H]2CC1 ZINC001276630540 809021808 /nfs/dbraw/zinc/02/18/08/809021808.db2.gz CDDNYXLICCYSGT-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@H]2CC1 ZINC001276630540 809021814 /nfs/dbraw/zinc/02/18/14/809021814.db2.gz CDDNYXLICCYSGT-TXEJJXNPSA-N 2 1 284.856 3.175 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CC1CCC(F)(F)CC1)CC2 ZINC001276668549 809025760 /nfs/dbraw/zinc/02/57/60/809025760.db2.gz HFAVFVMBKRWMEG-UHFFFAOYSA-N 2 1 286.410 3.230 20 0 CGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001276791229 809030165 /nfs/dbraw/zinc/03/01/65/809030165.db2.gz ZNNNBPRCGYLUOY-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001276791229 809030170 /nfs/dbraw/zinc/03/01/70/809030170.db2.gz ZNNNBPRCGYLUOY-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001276791229 809030175 /nfs/dbraw/zinc/03/01/75/809030175.db2.gz ZNNNBPRCGYLUOY-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001276791229 809030181 /nfs/dbraw/zinc/03/01/81/809030181.db2.gz ZNNNBPRCGYLUOY-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP Cc1cccc(N2CCC3(C[NH+](C4CCCC4)C3)CC2)[nH+]1 ZINC001276980742 809051370 /nfs/dbraw/zinc/05/13/70/809051370.db2.gz GWRDXRWXHLADDU-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP CC[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277808582 809097743 /nfs/dbraw/zinc/09/77/43/809097743.db2.gz ZMYMWYIDCSTBFT-HRCADAONSA-N 2 1 264.457 3.371 20 0 CGADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277808582 809097748 /nfs/dbraw/zinc/09/77/48/809097748.db2.gz ZMYMWYIDCSTBFT-HRCADAONSA-N 2 1 264.457 3.371 20 0 CGADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277808582 809097757 /nfs/dbraw/zinc/09/77/57/809097757.db2.gz ZMYMWYIDCSTBFT-HRCADAONSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CC1([NH2+]C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001174770851 809160407 /nfs/dbraw/zinc/16/04/07/809160407.db2.gz ITTQTQSEYMQNAO-HNNXBMFYSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)CC1([NH2+]C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001174770851 809160410 /nfs/dbraw/zinc/16/04/10/809160410.db2.gz ITTQTQSEYMQNAO-HNNXBMFYSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001175505200 809433298 /nfs/dbraw/zinc/43/32/98/809433298.db2.gz NNTYPMLFTCXWQS-UHFFFAOYSA-N 2 1 279.387 3.014 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176629646 809734785 /nfs/dbraw/zinc/73/47/85/809734785.db2.gz PMYOXJUTEGPPCR-PVAVHDDUSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176629646 809734789 /nfs/dbraw/zinc/73/47/89/809734789.db2.gz PMYOXJUTEGPPCR-PVAVHDDUSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001176629646 809734793 /nfs/dbraw/zinc/73/47/93/809734793.db2.gz PMYOXJUTEGPPCR-PVAVHDDUSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001176629646 809734796 /nfs/dbraw/zinc/73/47/96/809734796.db2.gz PMYOXJUTEGPPCR-PVAVHDDUSA-N 2 1 276.399 3.160 20 0 CGADMP C(C[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1)C[NH+]1CCCCC1 ZINC001176648591 809735899 /nfs/dbraw/zinc/73/58/99/809735899.db2.gz DZMXYHUHDBVLLZ-ROUUACIJSA-N 2 1 276.468 3.373 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)c1cccs1 ZINC001177843631 809826268 /nfs/dbraw/zinc/82/62/68/809826268.db2.gz CNBYMJOLHAVQSB-UHFFFAOYSA-N 2 1 289.448 3.277 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC001178310878 809859555 /nfs/dbraw/zinc/85/95/55/809859555.db2.gz MUDZCTNRYCTQOE-AATRIKPKSA-N 2 1 284.447 3.477 20 0 CGADMP COC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCCCCC1 ZINC001179918577 809957676 /nfs/dbraw/zinc/95/76/76/809957676.db2.gz CTYXDVFKXXYCJG-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP COC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCCCCC1 ZINC001179918577 809957683 /nfs/dbraw/zinc/95/76/83/809957683.db2.gz CTYXDVFKXXYCJG-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP COC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCCCCC1 ZINC001179918577 809957688 /nfs/dbraw/zinc/95/76/88/809957688.db2.gz CTYXDVFKXXYCJG-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC001182152671 810096229 /nfs/dbraw/zinc/09/62/29/810096229.db2.gz QWEBJJDTPOLNPQ-XHSDSOJGSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC001182152671 810096231 /nfs/dbraw/zinc/09/62/31/810096231.db2.gz QWEBJJDTPOLNPQ-XHSDSOJGSA-N 2 1 270.461 3.044 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001182309087 810104122 /nfs/dbraw/zinc/10/41/22/810104122.db2.gz MNQUIZUOHCRCFE-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC001182309087 810104126 /nfs/dbraw/zinc/10/41/26/810104126.db2.gz MNQUIZUOHCRCFE-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP C([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001182960867 810132091 /nfs/dbraw/zinc/13/20/91/810132091.db2.gz VUXUSOFCNZVPPQ-QKPAOTATSA-N 2 1 262.441 3.029 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001182960867 810132093 /nfs/dbraw/zinc/13/20/93/810132093.db2.gz VUXUSOFCNZVPPQ-QKPAOTATSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)c1ccccn1 ZINC001183498533 810150212 /nfs/dbraw/zinc/15/02/12/810150212.db2.gz GKEYFKDLIBUKRW-CRAIPNDOSA-N 2 1 292.386 3.370 20 0 CGADMP C[NH+](C)CCCn1cc(Nc2ccc3c[nH+]ccc3c2)cn1 ZINC001186996700 810377867 /nfs/dbraw/zinc/37/78/67/810377867.db2.gz IJCZAAMSGKHWQC-UHFFFAOYSA-N 2 1 295.390 3.127 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CC2CCC1CC2 ZINC001191173859 810685481 /nfs/dbraw/zinc/68/54/81/810685481.db2.gz JQAHMGARJFMGHB-MNAZLIDISA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CC2CCC1CC2 ZINC001191173859 810685483 /nfs/dbraw/zinc/68/54/83/810685483.db2.gz JQAHMGARJFMGHB-MNAZLIDISA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CC2CCC1CC2 ZINC001191173859 810685489 /nfs/dbraw/zinc/68/54/89/810685489.db2.gz JQAHMGARJFMGHB-MNAZLIDISA-N 2 1 264.457 3.086 20 0 CGADMP CCC1(CC)[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)C[C@@H]1OC ZINC001191743210 810735012 /nfs/dbraw/zinc/73/50/12/810735012.db2.gz RBGBHLVZKJGOOW-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001197031473 811390205 /nfs/dbraw/zinc/39/02/05/811390205.db2.gz KSYLLNOBSYCBOP-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001197031473 811390211 /nfs/dbraw/zinc/39/02/11/811390211.db2.gz KSYLLNOBSYCBOP-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001197031473 811390221 /nfs/dbraw/zinc/39/02/21/811390221.db2.gz KSYLLNOBSYCBOP-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001197031473 811390231 /nfs/dbraw/zinc/39/02/31/811390231.db2.gz KSYLLNOBSYCBOP-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[N@@H+](CCOCC1CCC1)CC1CC[NH+](C)CC1 ZINC001197194890 811405249 /nfs/dbraw/zinc/40/52/49/811405249.db2.gz WZAGLNMVFLXBPT-UHFFFAOYSA-N 2 1 296.499 3.103 20 0 CGADMP CC(C)CCOCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001197582781 811432297 /nfs/dbraw/zinc/43/22/97/811432297.db2.gz YAMLJALBDGQPFD-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ncccc1C ZINC001198640976 811527383 /nfs/dbraw/zinc/52/73/83/811527383.db2.gz KVVIOLWVZFZVEO-AWEZNQCLSA-N 2 1 272.396 3.026 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCCC1 ZINC001199188906 811564208 /nfs/dbraw/zinc/56/42/08/811564208.db2.gz GLMNHNYTKRMWGI-JJXSEGSLSA-N 2 1 250.430 3.029 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC001199248721 811567348 /nfs/dbraw/zinc/56/73/48/811567348.db2.gz WTMWWBMHJWFNKE-UHFFFAOYSA-N 2 1 284.488 3.149 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCC(C)(C)C)CC1 ZINC001202073798 812011302 /nfs/dbraw/zinc/01/13/02/812011302.db2.gz VWIVYLJCOJNZHE-UHFFFAOYSA-N 2 1 275.440 3.365 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001202167834 812028664 /nfs/dbraw/zinc/02/86/64/812028664.db2.gz VVSVPAIQTHXULM-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC2(CC2)CC1 ZINC001203032705 812221905 /nfs/dbraw/zinc/22/19/05/812221905.db2.gz RYUCDKBVHDDGNQ-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(C)c1 ZINC001203740486 812448227 /nfs/dbraw/zinc/44/82/27/812448227.db2.gz XYKMIASCRPDWFK-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP Cc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(C)c1 ZINC001203740486 812448231 /nfs/dbraw/zinc/44/82/31/812448231.db2.gz XYKMIASCRPDWFK-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP CC[C@H]1CCCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001204298603 812605209 /nfs/dbraw/zinc/60/52/09/812605209.db2.gz ITEDCWIASNFVNJ-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c(C)c1 ZINC001204356627 812619210 /nfs/dbraw/zinc/61/92/10/812619210.db2.gz CLIXMUFZYOEAMI-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735415 812719604 /nfs/dbraw/zinc/71/96/04/812719604.db2.gz UBYISSAAOHFTBL-UHFFFAOYSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c[nH]c21 ZINC001204735145 812719781 /nfs/dbraw/zinc/71/97/81/812719781.db2.gz LNUXLGGMULUXIH-UHFFFAOYSA-N 2 1 297.446 3.442 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204877743 812762185 /nfs/dbraw/zinc/76/21/85/812762185.db2.gz ORLUKFJHCXSUTC-YJBOKZPZSA-N 2 1 274.452 3.412 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204877743 812762195 /nfs/dbraw/zinc/76/21/95/812762195.db2.gz ORLUKFJHCXSUTC-YJBOKZPZSA-N 2 1 274.452 3.412 20 0 CGADMP CC[C@@H]([NH3+])C[NH+]1CCC(CCCc2ccccc2)CC1 ZINC001204885420 812763535 /nfs/dbraw/zinc/76/35/35/812763535.db2.gz UWMFZNCQPONNJO-GOSISDBHSA-N 2 1 274.452 3.459 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@](C)([NH3+])C2)C1(C)C ZINC001204937494 812785072 /nfs/dbraw/zinc/78/50/72/812785072.db2.gz CTGPRDHIMPNKNG-GOEBONIOSA-N 2 1 250.430 3.182 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(C)(C)c2ccccc2)C1 ZINC001205001414 812818859 /nfs/dbraw/zinc/81/88/59/812818859.db2.gz RNVLZIRWLVZBFB-MRXNPFEDSA-N 2 1 274.452 3.286 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001205009450 812822555 /nfs/dbraw/zinc/82/25/55/812822555.db2.gz SUMXLFSYPMCUKZ-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001205009450 812822559 /nfs/dbraw/zinc/82/25/59/812822559.db2.gz SUMXLFSYPMCUKZ-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(C)C)c(C)c2)C1 ZINC001205018571 812829246 /nfs/dbraw/zinc/82/92/46/812829246.db2.gz UXDBNDAQZATMQN-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(C)C)c(C)c2)C1 ZINC001205018571 812829253 /nfs/dbraw/zinc/82/92/53/812829253.db2.gz UXDBNDAQZATMQN-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205145853 812886399 /nfs/dbraw/zinc/88/63/99/812886399.db2.gz KGOMOTAVQZQOPZ-GOEBONIOSA-N 2 1 274.452 3.401 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001205164735 812896186 /nfs/dbraw/zinc/89/61/86/812896186.db2.gz REZFRLTZFQQGFO-HNNXBMFYSA-N 2 1 292.426 3.452 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171094 812897634 /nfs/dbraw/zinc/89/76/34/812897634.db2.gz JYOIDKCFZUROSB-RBSFLKMASA-N 2 1 270.461 3.029 20 0 CGADMP c1cc2n(c1C[N@H+]1CCCC[C@H]1c1ccccc1)CC[NH2+]C2 ZINC001205171730 812898049 /nfs/dbraw/zinc/89/80/49/812898049.db2.gz WKCXSBOEIDJJFR-IBGZPJMESA-N 2 1 295.430 3.319 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205182922 812900431 /nfs/dbraw/zinc/90/04/31/812900431.db2.gz RGEAWFFBJWCPIP-IUODEOHRSA-N 2 1 285.435 3.387 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205182922 812900436 /nfs/dbraw/zinc/90/04/36/812900436.db2.gz RGEAWFFBJWCPIP-IUODEOHRSA-N 2 1 285.435 3.387 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC001205255054 812917741 /nfs/dbraw/zinc/91/77/41/812917741.db2.gz FMHBTGQUDSZQNV-CQSZACIVSA-N 2 1 286.341 3.409 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC001205255054 812917747 /nfs/dbraw/zinc/91/77/47/812917747.db2.gz FMHBTGQUDSZQNV-CQSZACIVSA-N 2 1 286.341 3.409 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205295671 812935460 /nfs/dbraw/zinc/93/54/60/812935460.db2.gz AXWKVIDBNCPMSO-OAHLLOKOSA-N 2 1 284.806 3.491 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205295671 812935465 /nfs/dbraw/zinc/93/54/65/812935465.db2.gz AXWKVIDBNCPMSO-OAHLLOKOSA-N 2 1 284.806 3.491 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205296829 812937675 /nfs/dbraw/zinc/93/76/75/812937675.db2.gz ULPMXWSYRVXXCY-XETQRACLSA-N 2 1 252.446 3.430 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296265 812937923 /nfs/dbraw/zinc/93/79/23/812937923.db2.gz KGPFQKZOEAXJSB-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296265 812937926 /nfs/dbraw/zinc/93/79/26/812937926.db2.gz KGPFQKZOEAXJSB-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC1(C)C ZINC001205405189 812978259 /nfs/dbraw/zinc/97/82/59/812978259.db2.gz FHXKTJUGQRBNPU-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC1(C)C ZINC001205405189 812978264 /nfs/dbraw/zinc/97/82/64/812978264.db2.gz FHXKTJUGQRBNPU-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2F)CC[C@H]1C[NH3+] ZINC001205601339 813017119 /nfs/dbraw/zinc/01/71/19/813017119.db2.gz DPBJFRLABROCQL-ZBFHGGJFSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC001205601774 813018689 /nfs/dbraw/zinc/01/86/89/813018689.db2.gz GISVUGCTWSTMTJ-GDBMZVCRSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@H]1CC[N@@H+](CC2(C)CCCCC2)CC[C@@H]1C[NH3+] ZINC001205603540 813019159 /nfs/dbraw/zinc/01/91/59/813019159.db2.gz PWUWVYHYSMGHQG-LSDHHAIUSA-N 2 1 252.446 3.264 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)cc2c1 ZINC001205616239 813026212 /nfs/dbraw/zinc/02/62/12/813026212.db2.gz DSDRFMLVKDAABR-CABCVRRESA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3F)CC[C@H]1C[NH3+] ZINC001205618351 813028893 /nfs/dbraw/zinc/02/88/93/813028893.db2.gz VIJBTXITJZTBPT-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC001205618176 813029492 /nfs/dbraw/zinc/02/94/92/813029492.db2.gz SHXKWGOEPAHGBB-QWHCGFSZSA-N 2 1 298.377 3.095 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(C)c1 ZINC001205617903 813029710 /nfs/dbraw/zinc/02/97/10/813029710.db2.gz PAIJUZYXKOLCIP-GOEBONIOSA-N 2 1 290.451 3.201 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c12 ZINC001205651854 813042554 /nfs/dbraw/zinc/04/25/54/813042554.db2.gz KSKJSWSGPFVDOZ-GOEBONIOSA-N 2 1 297.446 3.350 20 0 CGADMP CC(C)(CC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC001205735924 813063495 /nfs/dbraw/zinc/06/34/95/813063495.db2.gz RYCIDTHKFZWISF-HNNXBMFYSA-N 2 1 296.405 3.270 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c[nH]c2c1 ZINC001205818949 813096049 /nfs/dbraw/zinc/09/60/49/813096049.db2.gz VJWCDNCOWQXORO-DZGCQCFKSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c[nH]c2c1 ZINC001205818949 813096058 /nfs/dbraw/zinc/09/60/58/813096058.db2.gz VJWCDNCOWQXORO-DZGCQCFKSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c[nH]c2c1 ZINC001205900984 813122344 /nfs/dbraw/zinc/12/23/44/813122344.db2.gz AHBDXLWMAVLBAL-KGLIPLIRSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(O)c2ccccc12 ZINC001205903337 813124436 /nfs/dbraw/zinc/12/44/36/813124436.db2.gz OTQMTQZQUJDWFN-ZIAGYGMSSA-N 2 1 284.403 3.105 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904552 813126549 /nfs/dbraw/zinc/12/65/49/813126549.db2.gz VSTXOYVAANXKOO-WMLDXEAASA-N 2 1 260.425 3.369 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2sccc21 ZINC001205915694 813131276 /nfs/dbraw/zinc/13/12/76/813131276.db2.gz QHGZAKHGFKGGCW-QWHCGFSZSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1nc2cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)ccc2s1 ZINC001205914741 813131311 /nfs/dbraw/zinc/13/13/11/813131311.db2.gz NDFJMZDZHKZXTC-RISCZKNCSA-N 2 1 289.448 3.164 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205914736 813131317 /nfs/dbraw/zinc/13/13/17/813131317.db2.gz NCSGKKXPQCPLHC-HOCLYGCPSA-N 2 1 290.451 3.423 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2ccc(F)cc2)CCC[C@H]1C[NH3+] ZINC001205984488 813151811 /nfs/dbraw/zinc/15/18/11/813151811.db2.gz SGZFEVMKMOIMBM-ZBFHGGJFSA-N 2 1 278.415 3.065 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001205985801 813152833 /nfs/dbraw/zinc/15/28/33/813152833.db2.gz ZZCPCTWJCXRHRD-YVSFHVDLSA-N 2 1 264.457 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2Cl)CCC[C@H]1C[NH3+] ZINC001205984732 813153088 /nfs/dbraw/zinc/15/30/88/813153088.db2.gz UPUOVHIIYPICJG-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205991375 813153520 /nfs/dbraw/zinc/15/35/20/813153520.db2.gz ANFQPKVBTBTLHI-CVEARBPZSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCC[C@H]1C[NH3+] ZINC001205991359 813153793 /nfs/dbraw/zinc/15/37/93/813153793.db2.gz AFKINPOTUDPWDC-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)cc2c1 ZINC001205993057 813155589 /nfs/dbraw/zinc/15/55/89/813155589.db2.gz GVDXCGUVDLYZQC-LSDHHAIUSA-N 2 1 285.435 3.283 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205997044 813158421 /nfs/dbraw/zinc/15/84/21/813158421.db2.gz ZCDAVOARMULQBM-NVXWUHKLSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)ccc2c1 ZINC001205996778 813158555 /nfs/dbraw/zinc/15/85/55/813158555.db2.gz YHVGPRYVYWOSOE-WBVHZDCISA-N 2 1 297.446 3.350 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206004757 813160819 /nfs/dbraw/zinc/16/08/19/813160819.db2.gz UXZBSNZLDNQVKG-JKSUJKDBSA-N 2 1 299.462 3.468 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003277 813161149 /nfs/dbraw/zinc/16/11/49/813161149.db2.gz GHRKOUCINIMDRZ-HOTGVXAUSA-N 2 1 290.451 3.201 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206026916 813170355 /nfs/dbraw/zinc/17/03/55/813170355.db2.gz VAVZFEQBOOKZDT-UKRRQHHQSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c3ccoc32)CCC[C@@H]1C[NH3+] ZINC001206026522 813170672 /nfs/dbraw/zinc/17/06/72/813170672.db2.gz SQCOBBSYNJVQAS-QWHCGFSZSA-N 2 1 290.382 3.379 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)c[nH]2)CCC[C@@H]1C[NH3+] ZINC001206035057 813175828 /nfs/dbraw/zinc/17/58/28/813175828.db2.gz BKCKHJRQMYIHAK-ZIAGYGMSSA-N 2 1 277.456 3.119 20 0 CGADMP C[N@H+](Cc1cccc(F)c1)CC1CC2(C1)CC[NH2+]CC2 ZINC001206049537 813181786 /nfs/dbraw/zinc/18/17/86/813181786.db2.gz NZBUMLUKSHOCCS-UHFFFAOYSA-N 2 1 276.399 3.037 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1C ZINC001206064740 813187848 /nfs/dbraw/zinc/18/78/48/813187848.db2.gz AFZDRSJQAKOVOV-BMLIUANNSA-N 2 1 260.425 3.008 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1C ZINC001206064740 813187851 /nfs/dbraw/zinc/18/78/51/813187851.db2.gz AFZDRSJQAKOVOV-BMLIUANNSA-N 2 1 260.425 3.008 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1(C)C ZINC001206157360 813218347 /nfs/dbraw/zinc/21/83/47/813218347.db2.gz YCRHLEYBTKSQLP-KFWWJZLASA-N 2 1 268.420 3.130 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1(C)C ZINC001206157360 813218351 /nfs/dbraw/zinc/21/83/51/813218351.db2.gz YCRHLEYBTKSQLP-KFWWJZLASA-N 2 1 268.420 3.130 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206163750 813220803 /nfs/dbraw/zinc/22/08/03/813220803.db2.gz FGOCMOBQRQADNX-HZPDHXFCSA-N 2 1 264.388 3.071 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2)CC[C@H]1F ZINC001206175226 813226344 /nfs/dbraw/zinc/22/63/44/813226344.db2.gz SPRVXZLFKRDPQR-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC[C@H]1F ZINC001206175226 813226347 /nfs/dbraw/zinc/22/63/47/813226347.db2.gz SPRVXZLFKRDPQR-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2csc3ccccc23)CC[C@@H]1F ZINC001206174077 813226570 /nfs/dbraw/zinc/22/65/70/813226570.db2.gz LVGAPIJHEBHISO-KBPBESRZSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cncc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206187491 813231734 /nfs/dbraw/zinc/23/17/34/813231734.db2.gz TYCALKLWOGFTAL-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206187491 813231735 /nfs/dbraw/zinc/23/17/35/813231735.db2.gz TYCALKLWOGFTAL-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccncc2)CC[C@@H]1F ZINC001206198619 813236124 /nfs/dbraw/zinc/23/61/24/813236124.db2.gz MZNTYRKEGATVJX-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccncc2)CC[C@@H]1F ZINC001206198619 813236127 /nfs/dbraw/zinc/23/61/27/813236127.db2.gz MZNTYRKEGATVJX-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP c1c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001206285401 813272423 /nfs/dbraw/zinc/27/24/23/813272423.db2.gz MOLXHSBDHWDPDJ-OKILXGFUSA-N 2 1 276.449 3.016 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccnc3ccccc23)CC1 ZINC001206294216 813275494 /nfs/dbraw/zinc/27/54/94/813275494.db2.gz JRESKNIHACDUDQ-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3cnccc32)CC1 ZINC001206311260 813284966 /nfs/dbraw/zinc/28/49/66/813284966.db2.gz LLBQHCKBLLDFIR-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cncc3ccccc32)CC1 ZINC001206312091 813285585 /nfs/dbraw/zinc/28/55/85/813285585.db2.gz ZWEANAICAMJWDE-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3cn2)CC1 ZINC001206311911 813286241 /nfs/dbraw/zinc/28/62/41/813286241.db2.gz WSYKNAWXHYWYMG-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(C)c1 ZINC001206344965 813297864 /nfs/dbraw/zinc/29/78/64/813297864.db2.gz YPZVLODBVXFNIT-KRWDZBQOSA-N 2 1 278.415 3.265 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206363152 813304550 /nfs/dbraw/zinc/30/45/50/813304550.db2.gz VEVBKCSCGQLTNX-QGZVFWFLSA-N 2 1 278.415 3.463 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206363152 813304557 /nfs/dbraw/zinc/30/45/57/813304557.db2.gz VEVBKCSCGQLTNX-QGZVFWFLSA-N 2 1 278.415 3.463 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001206500815 813337345 /nfs/dbraw/zinc/33/73/45/813337345.db2.gz RZLAGJZCLHHPDS-UHFFFAOYSA-N 2 1 288.769 3.179 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC001206542088 813343587 /nfs/dbraw/zinc/34/35/87/813343587.db2.gz RASIOSGBTAEKAF-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP COc1ccccc1CCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541204 813343714 /nfs/dbraw/zinc/34/37/14/813343714.db2.gz FVIKMMZATJYVSE-SFHVURJKSA-N 2 1 290.451 3.079 20 0 CGADMP Cc1csc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206547132 813346173 /nfs/dbraw/zinc/34/61/73/813346173.db2.gz BYILERSYWIMGJK-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1F ZINC001206547740 813346651 /nfs/dbraw/zinc/34/66/51/813346651.db2.gz FUWFQIWPCNTKPO-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206547641 813347018 /nfs/dbraw/zinc/34/70/18/813347018.db2.gz DYOUMGJHKLUKLB-GOSISDBHSA-N 2 1 290.451 3.426 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206547589 813347427 /nfs/dbraw/zinc/34/74/27/813347427.db2.gz CSNWCVMZPKMNHT-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1F ZINC001206549781 813348880 /nfs/dbraw/zinc/34/88/80/813348880.db2.gz PVFTVHIJJOKZGL-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556785 813351382 /nfs/dbraw/zinc/35/13/82/813351382.db2.gz XHSBBPMQMCMMPO-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP COc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001206554937 813351961 /nfs/dbraw/zinc/35/19/61/813351961.db2.gz ISIJZPCBVQPSOH-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001206554937 813351964 /nfs/dbraw/zinc/35/19/64/813351964.db2.gz ISIJZPCBVQPSOH-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001206555364 813352084 /nfs/dbraw/zinc/35/20/84/813352084.db2.gz JTEIDSFPMWHXQL-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)c1 ZINC001206556909 813352253 /nfs/dbraw/zinc/35/22/53/813352253.db2.gz ZVJCFUIFAGHQJB-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001206580512 813361975 /nfs/dbraw/zinc/36/19/75/813361975.db2.gz DGKMTNGQAGPBLG-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP CC(C)[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CCC[NH2+]CC1 ZINC001206581025 813362451 /nfs/dbraw/zinc/36/24/51/813362451.db2.gz HJHZJJCTCSFSLY-HZMVEIRTSA-N 2 1 262.441 3.051 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206616490 813376287 /nfs/dbraw/zinc/37/62/87/813376287.db2.gz PMBJCIJSFSPDGM-CYBMUJFWSA-N 2 1 289.398 3.176 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)c21 ZINC001206624880 813378526 /nfs/dbraw/zinc/37/85/26/813378526.db2.gz ZKARIJSVGVBFSQ-CQSZACIVSA-N 2 1 271.408 3.037 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639004 813381971 /nfs/dbraw/zinc/38/19/71/813381971.db2.gz AIJHUVQSBLILFR-CQSZACIVSA-N 2 1 294.414 3.175 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639004 813381976 /nfs/dbraw/zinc/38/19/76/813381976.db2.gz AIJHUVQSBLILFR-CQSZACIVSA-N 2 1 294.414 3.175 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCCCCc1ccccc1 ZINC001206761066 813426656 /nfs/dbraw/zinc/42/66/56/813426656.db2.gz SLXAXXZJYDFCAP-FUHWJXTLSA-N 2 1 274.452 3.459 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1CC ZINC001206767385 813430374 /nfs/dbraw/zinc/43/03/74/813430374.db2.gz AEZHTODDBDPZOQ-GDBMZVCRSA-N 2 1 290.451 3.207 20 0 CGADMP CCCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206767376 813430782 /nfs/dbraw/zinc/43/07/82/813430782.db2.gz ABDGKSSDVRJDMD-WBVHZDCISA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(C)c1F ZINC001206767612 813430839 /nfs/dbraw/zinc/43/08/39/813430839.db2.gz CNCDNNNQJYCOBT-ZIAGYGMSSA-N 2 1 264.388 3.002 20 0 CGADMP CCCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206768317 813430930 /nfs/dbraw/zinc/43/09/30/813430930.db2.gz JDZJGPGPARDOQF-CABCVRRESA-N 2 1 276.424 3.035 20 0 CGADMP CCCc1cccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001207175238 813504228 /nfs/dbraw/zinc/50/42/28/813504228.db2.gz RVNGJWKCOYEFJE-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001207175238 813504232 /nfs/dbraw/zinc/50/42/32/813504232.db2.gz RVNGJWKCOYEFJE-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001207175238 813504238 /nfs/dbraw/zinc/50/42/38/813504238.db2.gz RVNGJWKCOYEFJE-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001207175238 813504244 /nfs/dbraw/zinc/50/42/44/813504244.db2.gz RVNGJWKCOYEFJE-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001207175238 813504246 /nfs/dbraw/zinc/50/42/46/813504246.db2.gz RVNGJWKCOYEFJE-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C1(C)C ZINC001207275473 813530549 /nfs/dbraw/zinc/53/05/49/813530549.db2.gz JZGRIDHVMKUDEU-JFIYKMOQSA-N 2 1 276.468 3.252 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001207282032 813533676 /nfs/dbraw/zinc/53/36/76/813533676.db2.gz CZXJRHFAUVIMQQ-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001207286306 813536564 /nfs/dbraw/zinc/53/65/64/813536564.db2.gz QWJOEAZHYYXFCP-CQSZACIVSA-N 2 1 278.415 3.203 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001207286306 813536571 /nfs/dbraw/zinc/53/65/71/813536571.db2.gz QWJOEAZHYYXFCP-CQSZACIVSA-N 2 1 278.415 3.203 20 0 CGADMP CCN1CCC([N@@H+](C)CCCc2ccccc2F)CC1 ZINC001207490882 813574386 /nfs/dbraw/zinc/57/43/86/813574386.db2.gz AIGIHEJBTGRLCA-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2ccccc2F)CC1 ZINC001207490882 813574390 /nfs/dbraw/zinc/57/43/90/813574390.db2.gz AIGIHEJBTGRLCA-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccccc2F)CC1 ZINC001207490882 813574394 /nfs/dbraw/zinc/57/43/94/813574394.db2.gz AIGIHEJBTGRLCA-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC001208115755 813696920 /nfs/dbraw/zinc/69/69/20/813696920.db2.gz MOONSMDHFQMMEU-KRWDZBQOSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1ccc([C@@H](C)CC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC001208150775 813709570 /nfs/dbraw/zinc/70/95/70/813709570.db2.gz ICUOEAPRDAJDQX-ZDUSSCGKSA-N 2 1 264.413 3.108 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001208598599 813770720 /nfs/dbraw/zinc/77/07/20/813770720.db2.gz UKXCBQNFWVPXLL-HNNXBMFYSA-N 2 1 290.451 3.420 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC001208608389 813774319 /nfs/dbraw/zinc/77/43/19/813774319.db2.gz ILDPWTKYDUOSIZ-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001208608389 813774323 /nfs/dbraw/zinc/77/43/23/813774323.db2.gz ILDPWTKYDUOSIZ-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208608389 813774324 /nfs/dbraw/zinc/77/43/24/813774324.db2.gz ILDPWTKYDUOSIZ-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208607356 813774363 /nfs/dbraw/zinc/77/43/63/813774363.db2.gz MEGZHAWXUPMULP-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208607356 813774365 /nfs/dbraw/zinc/77/43/65/813774365.db2.gz MEGZHAWXUPMULP-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208607356 813774368 /nfs/dbraw/zinc/77/43/68/813774368.db2.gz MEGZHAWXUPMULP-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208607356 813774372 /nfs/dbraw/zinc/77/43/72/813774372.db2.gz MEGZHAWXUPMULP-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP CC[N@@H+](C)C1CCN(CCc2ccc(Cl)cc2)CC1 ZINC001208743121 813832879 /nfs/dbraw/zinc/83/28/79/813832879.db2.gz RWYFUIMCOCOSKD-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208743121 813832888 /nfs/dbraw/zinc/83/28/88/813832888.db2.gz RWYFUIMCOCOSKD-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208743121 813832895 /nfs/dbraw/zinc/83/28/95/813832895.db2.gz RWYFUIMCOCOSKD-UHFFFAOYSA-N 2 1 280.843 3.299 20 0 CGADMP C[N@@H+](CCCc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC001208772848 813840019 /nfs/dbraw/zinc/84/00/19/813840019.db2.gz IFBIWGZFFFWIFN-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCc3ccc(F)cc3)C[C@@H]2C1 ZINC001208775756 813842977 /nfs/dbraw/zinc/84/29/77/813842977.db2.gz VPZKIRUWMVTYRF-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCc3ccc(F)cc3)C[C@@H]2C1 ZINC001208775756 813842985 /nfs/dbraw/zinc/84/29/85/813842985.db2.gz VPZKIRUWMVTYRF-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCc3ccc(F)cc3)C[C@@H]2C1 ZINC001208775756 813842989 /nfs/dbraw/zinc/84/29/89/813842989.db2.gz VPZKIRUWMVTYRF-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP CC1(C)C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934345 813903739 /nfs/dbraw/zinc/90/37/39/813903739.db2.gz ZZZDBUMRVLOJOT-KRWDZBQOSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@]1(F)CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940535 813908367 /nfs/dbraw/zinc/90/83/67/813908367.db2.gz DEDKLUATOIFXMH-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@]1(F)CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940535 813908372 /nfs/dbraw/zinc/90/83/72/813908372.db2.gz DEDKLUATOIFXMH-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@]1(F)CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940535 813908379 /nfs/dbraw/zinc/90/83/79/813908379.db2.gz DEDKLUATOIFXMH-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@]1(F)CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940535 813908381 /nfs/dbraw/zinc/90/83/81/813908381.db2.gz DEDKLUATOIFXMH-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCc1ccc(C(F)(F)F)cc1 ZINC001209124572 813941268 /nfs/dbraw/zinc/94/12/68/813941268.db2.gz QAUFPJMZNWIPAQ-UHFFFAOYSA-N 2 1 288.357 3.131 20 0 CGADMP C[N@H+]1CC[C@@H](c2ccc(-c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC001242678132 823097778 /nfs/dbraw/zinc/09/77/78/823097778.db2.gz YGOCDKSZLMHVJT-GOSISDBHSA-N 2 1 278.399 3.376 20 0 CGADMP Cc1ccc2[nH]cc(C[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC001209489538 814059360 /nfs/dbraw/zinc/05/93/60/814059360.db2.gz JHCDVWZFSHAANP-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001209730788 814125628 /nfs/dbraw/zinc/12/56/28/814125628.db2.gz IVEILMVSIMXIMB-ZDUSSCGKSA-N 2 1 287.794 3.137 20 0 CGADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001209730788 814125634 /nfs/dbraw/zinc/12/56/34/814125634.db2.gz IVEILMVSIMXIMB-ZDUSSCGKSA-N 2 1 287.794 3.137 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001210400841 814445714 /nfs/dbraw/zinc/44/57/14/814445714.db2.gz URQFQQVTUVIKQJ-QZTJIDSGSA-N 2 1 292.467 3.119 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001210400841 814445719 /nfs/dbraw/zinc/44/57/19/814445719.db2.gz URQFQQVTUVIKQJ-QZTJIDSGSA-N 2 1 292.467 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC001210475381 814479463 /nfs/dbraw/zinc/47/94/63/814479463.db2.gz MPGHKXUHGFIAJL-XNRPHZJLSA-N 2 1 278.827 3.127 20 0 CGADMP CC1=CC(=O)C[NH+]=C1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210705677 814589743 /nfs/dbraw/zinc/58/97/43/814589743.db2.gz WADDKMJFAJOASO-CQSZACIVSA-N 2 1 273.380 3.040 20 0 CGADMP C[NH2+]Cc1cccc(Nc2ccc3[nH+]c(C)cn3c2)c1F ZINC001216221420 815741909 /nfs/dbraw/zinc/74/19/09/815741909.db2.gz DAKNFNHKSKWKJU-UHFFFAOYSA-N 2 1 284.338 3.245 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141183 816357450 /nfs/dbraw/zinc/35/74/50/816357450.db2.gz HQHLEPPEWGNXPC-IBGZPJMESA-N 2 1 286.463 3.428 20 0 CGADMP Fc1ccc2occ(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222148377 816360132 /nfs/dbraw/zinc/36/01/32/816360132.db2.gz NCMUNUSCDCOWDZ-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2occ(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222148377 816360139 /nfs/dbraw/zinc/36/01/39/816360139.db2.gz NCMUNUSCDCOWDZ-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155143 816363107 /nfs/dbraw/zinc/36/31/07/816363107.db2.gz WONYIKDDKPQDRV-RDGPPVDQSA-N 2 1 288.479 3.444 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@]23CCC[NH2+]C3)o1 ZINC001222231408 816379259 /nfs/dbraw/zinc/37/92/59/816379259.db2.gz LWAZQDFAMYNCLP-PBHICJAKSA-N 2 1 276.424 3.300 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@]23CCC[NH2+]C3)o1 ZINC001222231408 816379262 /nfs/dbraw/zinc/37/92/62/816379262.db2.gz LWAZQDFAMYNCLP-PBHICJAKSA-N 2 1 276.424 3.300 20 0 CGADMP Cn1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c2ccccc21 ZINC001222307999 816403848 /nfs/dbraw/zinc/40/38/48/816403848.db2.gz DQMBNYBJTFPPGQ-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Fc1ccccc1CCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308005 816404036 /nfs/dbraw/zinc/40/40/36/816404036.db2.gz FCHMSMPXUIJFNW-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346815 816415117 /nfs/dbraw/zinc/41/51/17/816415117.db2.gz TWOIVNIBPBMHBQ-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346815 816415122 /nfs/dbraw/zinc/41/51/22/816415122.db2.gz TWOIVNIBPBMHBQ-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP c1cc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2s1 ZINC001222629892 816483264 /nfs/dbraw/zinc/48/32/64/816483264.db2.gz RDKXBOURUZXFRX-IYBDPMFKSA-N 2 1 286.444 3.333 20 0 CGADMP CCOC(=[NH2+])CCCCOC1CCC([NH+](C)C)CC1 ZINC001224966780 816920010 /nfs/dbraw/zinc/92/00/10/816920010.db2.gz SQQPPYDGCAYPCF-UHFFFAOYSA-N 2 1 270.417 3.060 20 0 CGADMP CCOc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c(C)c1 ZINC001226784744 817462557 /nfs/dbraw/zinc/46/25/57/817462557.db2.gz MSWYQSHOHFVKTB-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CCC[NH2+]3)CC2)CC1 ZINC001226784751 817463314 /nfs/dbraw/zinc/46/33/14/817463314.db2.gz MUQGQTLWZHSGIE-HOTGVXAUSA-N 2 1 262.441 3.197 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001231813629 818183207 /nfs/dbraw/zinc/18/32/07/818183207.db2.gz ONRUJXQEBUASGC-CALCHBBNSA-N 2 1 296.414 3.330 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001231813629 818183211 /nfs/dbraw/zinc/18/32/11/818183211.db2.gz ONRUJXQEBUASGC-CALCHBBNSA-N 2 1 296.414 3.330 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001231813629 818183215 /nfs/dbraw/zinc/18/32/15/818183215.db2.gz ONRUJXQEBUASGC-CALCHBBNSA-N 2 1 296.414 3.330 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001231813629 818183219 /nfs/dbraw/zinc/18/32/19/818183219.db2.gz ONRUJXQEBUASGC-CALCHBBNSA-N 2 1 296.414 3.330 20 0 CGADMP CC(C)c1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001231874777 818196128 /nfs/dbraw/zinc/19/61/28/818196128.db2.gz JSUYUFLTYVCZIY-UHFFFAOYSA-N 2 1 260.425 3.336 20 0 CGADMP CC(C)c1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001231874777 818196131 /nfs/dbraw/zinc/19/61/31/818196131.db2.gz JSUYUFLTYVCZIY-UHFFFAOYSA-N 2 1 260.425 3.336 20 0 CGADMP COc1cccc(CC[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232013943 818233059 /nfs/dbraw/zinc/23/30/59/818233059.db2.gz IFKRTBBYIFLKKQ-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CC2CCC2)c1 ZINC001232147140 818264256 /nfs/dbraw/zinc/26/42/56/818264256.db2.gz JSGYMLKFBRCDCT-UHFFFAOYSA-N 2 1 264.388 3.119 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001232498995 818373080 /nfs/dbraw/zinc/37/30/80/818373080.db2.gz HKTLBCYDWBUJHN-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2ncsc2c1 ZINC001232743995 818432368 /nfs/dbraw/zinc/43/23/68/818432368.db2.gz IZACEGNSWQLUMG-UHFFFAOYSA-N 2 1 291.464 3.460 20 0 CGADMP CC[NH+](CC)Cc1ccccc1-c1cc(N)cc[nH+]1 ZINC001243333747 823350315 /nfs/dbraw/zinc/35/03/15/823350315.db2.gz NBQRIRHJBZEAQC-UHFFFAOYSA-N 2 1 255.365 3.173 20 0 CGADMP Cc1csc2sc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c(C)c12 ZINC001234978248 818967757 /nfs/dbraw/zinc/96/77/57/818967757.db2.gz HPPWTROCJKAPST-TXEJJXNPSA-N 2 1 292.473 3.231 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235000236 818973991 /nfs/dbraw/zinc/97/39/91/818973991.db2.gz PPKTUNHQQOKZLV-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235000236 818973994 /nfs/dbraw/zinc/97/39/94/818973994.db2.gz PPKTUNHQQOKZLV-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016280 818978975 /nfs/dbraw/zinc/97/89/75/818978975.db2.gz FGAHQKHOJSUFGO-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016280 818978979 /nfs/dbraw/zinc/97/89/79/818978979.db2.gz FGAHQKHOJSUFGO-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)c1 ZINC001235025452 818982748 /nfs/dbraw/zinc/98/27/48/818982748.db2.gz BFSKAJFBRQHPRC-UHFFFAOYSA-N 2 1 292.426 3.457 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235032563 818984733 /nfs/dbraw/zinc/98/47/33/818984733.db2.gz RAXFYAKNFUREMM-FXAWDEMLSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235032563 818984740 /nfs/dbraw/zinc/98/47/40/818984740.db2.gz RAXFYAKNFUREMM-FXAWDEMLSA-N 2 1 292.426 3.456 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235032451 818984815 /nfs/dbraw/zinc/98/48/15/818984815.db2.gz PTPMLWLQNPZIOU-QFBILLFUSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235032451 818984822 /nfs/dbraw/zinc/98/48/22/818984822.db2.gz PTPMLWLQNPZIOU-QFBILLFUSA-N 2 1 296.389 3.286 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032318 818985099 /nfs/dbraw/zinc/98/50/99/818985099.db2.gz JXHJBJFTYZDXAT-KRWDZBQOSA-N 2 1 286.444 3.395 20 0 CGADMP Fc1ccccc1CCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040654 818987657 /nfs/dbraw/zinc/98/76/57/818987657.db2.gz MJHPZJFOCGXLCC-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046517 818990608 /nfs/dbraw/zinc/99/06/08/818990608.db2.gz RAFISHYIDUNDST-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001235063444 818993666 /nfs/dbraw/zinc/99/36/66/818993666.db2.gz FHKYSYXSFLBWPP-DNVCBOLYSA-N 2 1 280.415 3.381 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001235063444 818993673 /nfs/dbraw/zinc/99/36/73/818993673.db2.gz FHKYSYXSFLBWPP-DNVCBOLYSA-N 2 1 280.415 3.381 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235109155 819005083 /nfs/dbraw/zinc/00/50/83/819005083.db2.gz GBZVNRDTLGHAAL-IBGZPJMESA-N 2 1 280.415 3.476 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235109155 819005090 /nfs/dbraw/zinc/00/50/90/819005090.db2.gz GBZVNRDTLGHAAL-IBGZPJMESA-N 2 1 280.415 3.476 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112198 819007667 /nfs/dbraw/zinc/00/76/67/819007667.db2.gz YLXNEDTYAPQBKZ-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112198 819007672 /nfs/dbraw/zinc/00/76/72/819007672.db2.gz YLXNEDTYAPQBKZ-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@H](C[N@@H+]1CCCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001235126597 819012194 /nfs/dbraw/zinc/01/21/94/819012194.db2.gz USIKWJSXGCIBOJ-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001235126597 819012197 /nfs/dbraw/zinc/01/21/97/819012197.db2.gz USIKWJSXGCIBOJ-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP c1ccc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235154285 819018687 /nfs/dbraw/zinc/01/86/87/819018687.db2.gz VTQULJKVTWCRBW-SFHVURJKSA-N 2 1 272.436 3.083 20 0 CGADMP Fc1cccc(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160786 819019255 /nfs/dbraw/zinc/01/92/55/819019255.db2.gz ZGMUIAQDLKJWFD-QGZVFWFLSA-N 2 1 294.389 3.319 20 0 CGADMP Cn1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c2ccccc21 ZINC001235175420 819024964 /nfs/dbraw/zinc/02/49/64/819024964.db2.gz VMPGDHSTWCMJQF-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Cn1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c2ccccc21 ZINC001235175420 819024972 /nfs/dbraw/zinc/02/49/72/819024972.db2.gz VMPGDHSTWCMJQF-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235185406 819028101 /nfs/dbraw/zinc/02/81/01/819028101.db2.gz SZJOQFVKBPCBAR-KGLIPLIRSA-N 2 1 286.444 3.251 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193408 819032055 /nfs/dbraw/zinc/03/20/55/819032055.db2.gz KQKOGJZCHWXTOQ-BRWVUGGUSA-N 2 1 264.457 3.300 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC001235193530 819032426 /nfs/dbraw/zinc/03/24/26/819032426.db2.gz OLMUNBLMBQCUOC-UKRRQHHQSA-N 2 1 284.378 3.020 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001235240005 819045219 /nfs/dbraw/zinc/04/52/19/819045219.db2.gz ILXDSXQADXNXFJ-QZTJIDSGSA-N 2 1 266.388 3.153 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235240005 819045222 /nfs/dbraw/zinc/04/52/22/819045222.db2.gz ILXDSXQADXNXFJ-QZTJIDSGSA-N 2 1 266.388 3.153 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235253098 819050289 /nfs/dbraw/zinc/05/02/89/819050289.db2.gz BUWIFPVMGMIVBM-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235254152 819050874 /nfs/dbraw/zinc/05/08/74/819050874.db2.gz BCVPZEHRVANVMJ-UXHICEINSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235254152 819050878 /nfs/dbraw/zinc/05/08/78/819050878.db2.gz BCVPZEHRVANVMJ-UXHICEINSA-N 2 1 292.426 3.456 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1(C)C ZINC001235256010 819052334 /nfs/dbraw/zinc/05/23/34/819052334.db2.gz OTIPZVMRRNCAKO-BZUAXINKSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1(C)C ZINC001235256010 819052339 /nfs/dbraw/zinc/05/23/39/819052339.db2.gz OTIPZVMRRNCAKO-BZUAXINKSA-N 2 1 262.441 3.053 20 0 CGADMP Fc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235262446 819055647 /nfs/dbraw/zinc/05/56/47/819055647.db2.gz REDQSTXPPCMNJW-HKUYNNGSSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235262446 819055655 /nfs/dbraw/zinc/05/56/55/819055655.db2.gz REDQSTXPPCMNJW-HKUYNNGSSA-N 2 1 296.389 3.286 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3ccccc3Cl)C[C@@H]12 ZINC001235285241 819060992 /nfs/dbraw/zinc/06/09/92/819060992.db2.gz QTKMCDOXQMRTCB-ALXJQNPVSA-N 2 1 298.817 3.396 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccccc3-c3ccccc3Cl)C[C@@H]12 ZINC001235285241 819061001 /nfs/dbraw/zinc/06/10/01/819061001.db2.gz QTKMCDOXQMRTCB-ALXJQNPVSA-N 2 1 298.817 3.396 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)co1 ZINC001235368326 819079736 /nfs/dbraw/zinc/07/97/36/819079736.db2.gz VOOXAHRUMBAIAR-RBUKOAKNSA-N 2 1 296.414 3.033 20 0 CGADMP c1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)co1 ZINC001235368326 819079738 /nfs/dbraw/zinc/07/97/38/819079738.db2.gz VOOXAHRUMBAIAR-RBUKOAKNSA-N 2 1 296.414 3.033 20 0 CGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406476 819088500 /nfs/dbraw/zinc/08/85/00/819088500.db2.gz PUWIRBAGKNJQDL-RBUKOAKNSA-N 2 1 298.405 3.315 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235424811 819093241 /nfs/dbraw/zinc/09/32/41/819093241.db2.gz JXOXMZNOFVOUFL-HUUCEWRRSA-N 2 1 278.465 3.268 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433682 819095506 /nfs/dbraw/zinc/09/55/06/819095506.db2.gz XXIDQVDOJKWKFW-HNNXBMFYSA-N 2 1 252.446 3.300 20 0 CGADMP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)CC1CC[NH2+]CC1 ZINC001235432965 819096420 /nfs/dbraw/zinc/09/64/20/819096420.db2.gz BLIDJZUJMSMIAY-UHFFFAOYSA-N 2 1 291.826 3.253 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+](C)C1CC[NH2+]CC1 ZINC001235464272 819105470 /nfs/dbraw/zinc/10/54/70/819105470.db2.gz BRPPZPFQQIIEED-UHFFFAOYSA-N 2 1 268.404 3.332 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1-c1ccncc1 ZINC001235613209 819126288 /nfs/dbraw/zinc/12/62/88/819126288.db2.gz UFPPQUPBOFLTRA-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(C)c1Cl ZINC001235675162 819134637 /nfs/dbraw/zinc/13/46/37/819134637.db2.gz JYYJEUDFVXORQN-CYBMUJFWSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(C)c1Cl ZINC001235675162 819134641 /nfs/dbraw/zinc/13/46/41/819134641.db2.gz JYYJEUDFVXORQN-CYBMUJFWSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001235676080 819136192 /nfs/dbraw/zinc/13/61/92/819136192.db2.gz VDFZVIRYZOAPQD-GOSISDBHSA-N 2 1 296.414 3.107 20 0 CGADMP CC[C@H]([NH3+])C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001235676682 819137289 /nfs/dbraw/zinc/13/72/89/819137289.db2.gz UHYKIGAODMMOLV-KRWDZBQOSA-N 2 1 260.425 3.069 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC001235689700 819141504 /nfs/dbraw/zinc/14/15/04/819141504.db2.gz BMIOBONGQWHCAE-IBGZPJMESA-N 2 1 296.414 3.189 20 0 CGADMP CCC[C@@H]1CCCC[N@@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235693819 819143903 /nfs/dbraw/zinc/14/39/03/819143903.db2.gz HNOGTWXCBREQLU-MGPQQGTHSA-N 2 1 274.399 3.132 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235693819 819143905 /nfs/dbraw/zinc/14/39/05/819143905.db2.gz HNOGTWXCBREQLU-MGPQQGTHSA-N 2 1 274.399 3.132 20 0 CGADMP Clc1ccc([C@H]2C[C@@H]2C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711722 819148608 /nfs/dbraw/zinc/14/86/08/819148608.db2.gz UGLNMFBBBRMZRZ-GDBMZVCRSA-N 2 1 290.838 3.129 20 0 CGADMP Cc1cccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1C ZINC001235714434 819150705 /nfs/dbraw/zinc/15/07/05/819150705.db2.gz LHVNOMPBUAENJW-UHFFFAOYSA-N 2 1 260.425 3.125 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235718269 819151639 /nfs/dbraw/zinc/15/16/39/819151639.db2.gz VJIORRQJCDBQEQ-UHFFFAOYSA-N 2 1 274.452 3.379 20 0 CGADMP CC1(C[N@H+]2CCC[C@H]2c2ccccc2F)CC[NH2+]CC1 ZINC001235719486 819152231 /nfs/dbraw/zinc/15/22/31/819152231.db2.gz VEWZDTJZPAKUTL-INIZCTEOSA-N 2 1 276.399 3.352 20 0 CGADMP CCCCCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001235750982 819160380 /nfs/dbraw/zinc/16/03/80/819160380.db2.gz TXZBCMVHUXMODW-INIZCTEOSA-N 2 1 290.451 3.426 20 0 CGADMP CC(C)c1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC001235751384 819161182 /nfs/dbraw/zinc/16/11/82/819161182.db2.gz XOBHRBOPZZDFPM-CYBMUJFWSA-N 2 1 266.816 3.244 20 0 CGADMP CC(C)c1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC001235751384 819161187 /nfs/dbraw/zinc/16/11/87/819161187.db2.gz XOBHRBOPZZDFPM-CYBMUJFWSA-N 2 1 266.816 3.244 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)cc1Cl ZINC001235762957 819162852 /nfs/dbraw/zinc/16/28/52/819162852.db2.gz XOJYLUVEDXTYHJ-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1ccc(OCC(C)C)cc1)C1CC[NH2+]CC1 ZINC001235762267 819162985 /nfs/dbraw/zinc/16/29/85/819162985.db2.gz RBECEQGCZJUSKV-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC001235813506 819174385 /nfs/dbraw/zinc/17/43/85/819174385.db2.gz XFOKEJHXBYBFLE-SFHVURJKSA-N 2 1 298.455 3.435 20 0 CGADMP COC(C)(C)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001235826754 819176717 /nfs/dbraw/zinc/17/67/17/819176717.db2.gz BKYXSSIXABFCGN-INIZCTEOSA-N 2 1 282.472 3.188 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001235839013 819180752 /nfs/dbraw/zinc/18/07/52/819180752.db2.gz GUIOOXQDJDBEJG-SNVBAGLBSA-N 2 1 258.818 3.277 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235842938 819185329 /nfs/dbraw/zinc/18/53/29/819185329.db2.gz UKYJIQMVJYLCRL-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1csc2ccccc12 ZINC001235925487 819224593 /nfs/dbraw/zinc/22/45/93/819224593.db2.gz QKERSTSIJKVXGA-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001235928902 819227627 /nfs/dbraw/zinc/22/76/27/819227627.db2.gz FIQAEZRLSPBXOR-NJAFHUGGSA-N 2 1 294.442 3.485 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929114 819228124 /nfs/dbraw/zinc/22/81/24/819228124.db2.gz IFTGXLLVMVDFFA-ULJSMLAOSA-N 2 1 288.479 3.134 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235934387 819231301 /nfs/dbraw/zinc/23/13/01/819231301.db2.gz MZZAPRKNIBRQNF-GDBMZVCRSA-N 2 1 276.399 3.005 20 0 CGADMP C[N@@H+](CCCc1ccccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC001235952559 819242546 /nfs/dbraw/zinc/24/25/46/819242546.db2.gz ZOUMXFMVFXVYTA-AWEZNQCLSA-N 2 1 280.843 3.204 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001235960719 819250091 /nfs/dbraw/zinc/25/00/91/819250091.db2.gz XQAISHLJJUEZSC-ZSBFGKGUSA-N 2 1 284.378 3.148 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c2ccccc12 ZINC001235980777 819256908 /nfs/dbraw/zinc/25/69/08/819256908.db2.gz ODGKTQBKSIQZKK-YJBOKZPZSA-N 2 1 266.388 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c2ccccc12 ZINC001235980777 819256919 /nfs/dbraw/zinc/25/69/19/819256919.db2.gz ODGKTQBKSIQZKK-YJBOKZPZSA-N 2 1 266.388 3.071 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC001236068269 819298403 /nfs/dbraw/zinc/29/84/03/819298403.db2.gz XLQJRZOZEMBJDJ-KRWDZBQOSA-N 2 1 274.452 3.270 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236072374 819301275 /nfs/dbraw/zinc/30/12/75/819301275.db2.gz SOEUBKLJVRGXLQ-HNNXBMFYSA-N 2 1 292.426 3.279 20 0 CGADMP CC1(C)C[N@@H+](CC2(C)CC[NH2+]CC2)Cc2ccccc21 ZINC001236085847 819307839 /nfs/dbraw/zinc/30/78/39/819307839.db2.gz WYVRSQDHTORWLU-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP COc1ccc(C[C@H]2CCC[N@@H+](CCCCC[NH3+])C2)cc1 ZINC001236093642 819312796 /nfs/dbraw/zinc/31/27/96/819312796.db2.gz VLAQYKGNCNZYOB-QGZVFWFLSA-N 2 1 290.451 3.079 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+](C)CCCC[NH3+])cc2)o1 ZINC001236141542 819342352 /nfs/dbraw/zinc/34/23/52/819342352.db2.gz HZYSNALYDBUXHX-UHFFFAOYSA-N 2 1 272.392 3.426 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(C)cc1OC)C1CC[NH2+]CC1 ZINC001236184781 819359648 /nfs/dbraw/zinc/35/96/48/819359648.db2.gz OZBUDVZVPTWDDP-UHFFFAOYSA-N 2 1 290.451 3.276 20 0 CGADMP CCC[N@@H+](Cc1cc2cc(C)ccc2[nH]1)C1CC[NH2+]CC1 ZINC001236182388 819360643 /nfs/dbraw/zinc/36/06/43/819360643.db2.gz OCBWZGGHQHFBFS-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP CCC[N@@H+](Cc1cc(F)c(C)c(F)c1)C1CC[NH2+]CC1 ZINC001236185038 819360819 /nfs/dbraw/zinc/36/08/19/819360819.db2.gz SYLJPSHAJXDDDS-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP C[N@H+](Cc1c[nH]c2cccc(F)c12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212437 819373644 /nfs/dbraw/zinc/37/36/44/819373644.db2.gz LMMZPXLXDWXCFN-ZFWWWQNUSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cccc(F)c12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212437 819373653 /nfs/dbraw/zinc/37/36/53/819373653.db2.gz LMMZPXLXDWXCFN-ZFWWWQNUSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213656 819375461 /nfs/dbraw/zinc/37/54/61/819375461.db2.gz OJCCMGOOJSFMFH-OALUTQOASA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213656 819375468 /nfs/dbraw/zinc/37/54/68/819375468.db2.gz OJCCMGOOJSFMFH-OALUTQOASA-N 2 1 295.430 3.450 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(F)cc(F)c2C)CC1 ZINC001236214449 819376256 /nfs/dbraw/zinc/37/62/56/819376256.db2.gz FLPTYWISVZFAHY-UHFFFAOYSA-N 2 1 282.378 3.236 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(F)c(C)c(F)c2)CC1 ZINC001236215285 819378752 /nfs/dbraw/zinc/37/87/52/819378752.db2.gz NCEGLOGHDACFNJ-UHFFFAOYSA-N 2 1 282.378 3.236 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC001236217375 819382443 /nfs/dbraw/zinc/38/24/43/819382443.db2.gz OQPZZYUGEBVWBN-IRXDYDNUSA-N 2 1 290.451 3.322 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC001236217375 819382450 /nfs/dbraw/zinc/38/24/50/819382450.db2.gz OQPZZYUGEBVWBN-IRXDYDNUSA-N 2 1 290.451 3.322 20 0 CGADMP CCn1ccc2ccc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc21 ZINC001236218670 819384139 /nfs/dbraw/zinc/38/41/39/819384139.db2.gz SUEQLBIPWGEQLP-IAGOWNOFSA-N 2 1 285.435 3.363 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc21 ZINC001236218670 819384145 /nfs/dbraw/zinc/38/41/45/819384145.db2.gz SUEQLBIPWGEQLP-IAGOWNOFSA-N 2 1 285.435 3.363 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236218787 819384944 /nfs/dbraw/zinc/38/49/44/819384944.db2.gz UCKFJOVGZGIALC-IRXDYDNUSA-N 2 1 276.424 3.176 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236218787 819384950 /nfs/dbraw/zinc/38/49/50/819384950.db2.gz UCKFJOVGZGIALC-IRXDYDNUSA-N 2 1 276.424 3.176 20 0 CGADMP C[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219236 819385250 /nfs/dbraw/zinc/38/52/50/819385250.db2.gz UWLLBSIYBITOSX-LSDHHAIUSA-N 2 1 258.365 3.135 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227767 819390407 /nfs/dbraw/zinc/39/04/07/819390407.db2.gz MEVACOYTRLIGAM-SEEUUAMPSA-N 2 1 272.436 3.415 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236227018 819390710 /nfs/dbraw/zinc/39/07/10/819390710.db2.gz XOCSDZNTQPQSGG-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1C ZINC001236240669 819400244 /nfs/dbraw/zinc/40/02/44/819400244.db2.gz LPSPJWPOYYWSNY-HOCLYGCPSA-N 2 1 296.405 3.226 20 0 CGADMP Cc1ccc(C[N@H+](C)C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)cc1C ZINC001236240669 819400248 /nfs/dbraw/zinc/40/02/48/819400248.db2.gz LPSPJWPOYYWSNY-HOCLYGCPSA-N 2 1 296.405 3.226 20 0 CGADMP CC[N@@H+](CCCC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC001236285825 819413208 /nfs/dbraw/zinc/41/32/08/819413208.db2.gz IBWHGICXGZJEQM-UHFFFAOYSA-N 2 1 274.330 3.266 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1(C)C ZINC001236315295 819420640 /nfs/dbraw/zinc/42/06/40/819420640.db2.gz ZWJVDRTZAIBZLT-IXDOHACOSA-N 2 1 276.468 3.300 20 0 CGADMP CC[NH+](CC)Cc1ccc(F)c(-c2cc(N)cc[nH+]2)c1 ZINC001236319589 819423504 /nfs/dbraw/zinc/42/35/04/819423504.db2.gz GOOQSYHJXUIGRL-UHFFFAOYSA-N 2 1 273.355 3.312 20 0 CGADMP COCC[N@H+](CC[C@H]1CC=C(C)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236331134 819428400 /nfs/dbraw/zinc/42/84/00/819428400.db2.gz WQBUBFSAVFBJMW-IAGOWNOFSA-N 2 1 294.483 3.069 20 0 CGADMP COCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236331134 819428404 /nfs/dbraw/zinc/42/84/04/819428404.db2.gz WQBUBFSAVFBJMW-IAGOWNOFSA-N 2 1 294.483 3.069 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401583 819450772 /nfs/dbraw/zinc/45/07/72/819450772.db2.gz PGKFJCJFDZUGHV-UKRRQHHQSA-N 2 1 276.399 3.036 20 0 CGADMP CC[N@H+](Cc1ccc2cc(OC)ccc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236409035 819455883 /nfs/dbraw/zinc/45/58/83/819455883.db2.gz RCKBUTSSLJLDQP-MRXNPFEDSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+](Cc1c(C)cc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236407990 819456019 /nfs/dbraw/zinc/45/60/19/819456019.db2.gz LLPXYNDKYCYIRK-INIZCTEOSA-N 2 1 260.425 3.043 20 0 CGADMP CC[N@H+](Cc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236407918 819456033 /nfs/dbraw/zinc/45/60/33/819456033.db2.gz INPNHENNMRGUTP-OAHLLOKOSA-N 2 1 268.404 3.271 20 0 CGADMP C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411810 819459015 /nfs/dbraw/zinc/45/90/15/819459015.db2.gz HANRYVVZIQNIMP-BWTSREIZSA-N 2 1 296.389 3.142 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@@H](C)CCCC(C)(C)OC ZINC001236417732 819463717 /nfs/dbraw/zinc/46/37/17/819463717.db2.gz FLBVAFZJXMSHLB-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H](C)CCCC(C)(C)OC ZINC001236417732 819463720 /nfs/dbraw/zinc/46/37/20/819463720.db2.gz FLBVAFZJXMSHLB-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2cccccc1-2 ZINC001236419082 819465884 /nfs/dbraw/zinc/46/58/84/819465884.db2.gz JTTLDTXGYQBFNG-DYVFJYSZSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001236419082 819465889 /nfs/dbraw/zinc/46/58/89/819465889.db2.gz JTTLDTXGYQBFNG-DYVFJYSZSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236421383 819468468 /nfs/dbraw/zinc/46/84/68/819468468.db2.gz QMNSQPOEPSYIEZ-LIRRHRJNSA-N 2 1 297.446 3.217 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236421383 819468473 /nfs/dbraw/zinc/46/84/73/819468473.db2.gz QMNSQPOEPSYIEZ-LIRRHRJNSA-N 2 1 297.446 3.217 20 0 CGADMP CC(C)[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236467992 819488716 /nfs/dbraw/zinc/48/87/16/819488716.db2.gz CDASBOOMDLCZLE-OAHLLOKOSA-N 2 1 289.398 3.269 20 0 CGADMP CC(C)[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236467992 819488719 /nfs/dbraw/zinc/48/87/19/819488719.db2.gz CDASBOOMDLCZLE-OAHLLOKOSA-N 2 1 289.398 3.269 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502696 819505730 /nfs/dbraw/zinc/50/57/30/819505730.db2.gz WWHXSWSCDIABGI-OCCSQVGLSA-N 2 1 294.389 3.175 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502696 819505734 /nfs/dbraw/zinc/50/57/34/819505734.db2.gz WWHXSWSCDIABGI-OCCSQVGLSA-N 2 1 294.389 3.175 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](CC1CCC1)C1CC[NH2+]CC1 ZINC001236510033 819508060 /nfs/dbraw/zinc/50/80/60/819508060.db2.gz WDKQQWFPFQOUSX-UHFFFAOYSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C[C@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC001236518102 819511258 /nfs/dbraw/zinc/51/12/58/819511258.db2.gz PMRQVKUUMSYJPS-CZUORRHYSA-N 2 1 290.426 3.344 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc(F)ccc2F)CC2CC2)CC1 ZINC001236550902 819535447 /nfs/dbraw/zinc/53/54/47/819535447.db2.gz IKPIHMSFRZOYAY-WKILWMFISA-N 2 1 294.389 3.447 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236604037 819549878 /nfs/dbraw/zinc/54/98/78/819549878.db2.gz BMWJFVJRAPMCBA-CQSZACIVSA-N 2 1 289.467 3.276 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236604037 819549881 /nfs/dbraw/zinc/54/98/81/819549881.db2.gz BMWJFVJRAPMCBA-CQSZACIVSA-N 2 1 289.467 3.276 20 0 CGADMP Cc1cc(Cl)cc(CN(C(C)C)C2CC[NH+](C)CC2)n1 ZINC001236654109 819563155 /nfs/dbraw/zinc/56/31/55/819563155.db2.gz WFPDLFOBDYAQOW-UHFFFAOYSA-N 2 1 295.858 3.348 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CC1C[NH2+]C1 ZINC001236661749 819566039 /nfs/dbraw/zinc/56/60/39/819566039.db2.gz GAVQQIANVXJXOT-GOSISDBHSA-N 2 1 274.452 3.329 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2CCCO2)CC2CCCCC2)CC1 ZINC001236754427 819589369 /nfs/dbraw/zinc/58/93/69/819589369.db2.gz GNGCVJTUOYTPNS-BZSNNMDCSA-N 2 1 294.483 3.318 20 0 CGADMP C[N@H+](Cc1cccc2occc21)CC1CC[NH+](C)CC1 ZINC001236742419 819590296 /nfs/dbraw/zinc/59/02/96/819590296.db2.gz DEIPHTNBUWBZFG-UHFFFAOYSA-N 2 1 272.392 3.206 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC001236818102 819606085 /nfs/dbraw/zinc/60/60/85/819606085.db2.gz GHVXZMJNNBGJLJ-IPELMVKDSA-N 2 1 280.415 3.317 20 0 CGADMP CCC[N@H+](Cc1cc(C)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236834829 819614749 /nfs/dbraw/zinc/61/47/49/819614749.db2.gz IOMKHFBVHXEQHU-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP CCC[N@H+](Cc1ccc(OC(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236836511 819617108 /nfs/dbraw/zinc/61/71/08/819617108.db2.gz WNDMJAVPAZGUDO-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236841959 819618790 /nfs/dbraw/zinc/61/87/90/819618790.db2.gz BFEVRHPQDNBWGC-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236841959 819618793 /nfs/dbraw/zinc/61/87/93/819618793.db2.gz BFEVRHPQDNBWGC-ZDUSSCGKSA-N 2 1 282.378 3.095 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001237055214 819654184 /nfs/dbraw/zinc/65/41/84/819654184.db2.gz BJXBLJPRCNISNR-MRXNPFEDSA-N 2 1 291.826 3.382 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001237055214 819654187 /nfs/dbraw/zinc/65/41/87/819654187.db2.gz BJXBLJPRCNISNR-MRXNPFEDSA-N 2 1 291.826 3.382 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])C3)cc21 ZINC001237057952 819657235 /nfs/dbraw/zinc/65/72/35/819657235.db2.gz ORWMKOUYJQWDAV-SFHVURJKSA-N 2 1 285.435 3.222 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001237080632 819662200 /nfs/dbraw/zinc/66/22/00/819662200.db2.gz HEYCVQNJWOZAHB-SFHVURJKSA-N 2 1 283.419 3.038 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083875 819663217 /nfs/dbraw/zinc/66/32/17/819663217.db2.gz ZNNONWFRIDCYMI-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083875 819663223 /nfs/dbraw/zinc/66/32/23/819663223.db2.gz ZNNONWFRIDCYMI-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237146678 819677710 /nfs/dbraw/zinc/67/77/10/819677710.db2.gz UTCIEKDYTWBDSE-KRWDZBQOSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237146678 819677711 /nfs/dbraw/zinc/67/77/11/819677711.db2.gz UTCIEKDYTWBDSE-KRWDZBQOSA-N 2 1 258.409 3.102 20 0 CGADMP Clc1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237382694 819737568 /nfs/dbraw/zinc/73/75/68/819737568.db2.gz MRLNUAVKTCDOCC-NVXWUHKLSA-N 2 1 292.854 3.347 20 0 CGADMP c1oc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406809 819745770 /nfs/dbraw/zinc/74/57/70/819745770.db2.gz VOUDVJXMEFGNFT-CZUORRHYSA-N 2 1 270.376 3.007 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406809 819745773 /nfs/dbraw/zinc/74/57/73/819745773.db2.gz VOUDVJXMEFGNFT-CZUORRHYSA-N 2 1 270.376 3.007 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237414410 819747640 /nfs/dbraw/zinc/74/76/40/819747640.db2.gz KQPRTDOJTSUKEJ-GOEBONIOSA-N 2 1 286.444 3.475 20 0 CGADMP CCOc1ccc(C)c(C[N@H+](C)C2CC[NH+](CC)CC2)c1 ZINC001238716020 820098562 /nfs/dbraw/zinc/09/85/62/820098562.db2.gz DOVDPEDKQGSAGI-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](C)C2CC[NH+](CC)CC2)c1 ZINC001238716020 820098573 /nfs/dbraw/zinc/09/85/73/820098573.db2.gz DOVDPEDKQGSAGI-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP Cc1sccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001240500146 821096239 /nfs/dbraw/zinc/09/62/39/821096239.db2.gz MFZBGQOQFMHBPE-UHFFFAOYSA-N 2 1 269.373 3.058 20 0 CGADMP Cc1cc(C)c(-c2ccc(N3CC[NH+](C)CC3)cc2)c(C)[nH+]1 ZINC001240854242 821371238 /nfs/dbraw/zinc/37/12/38/821371238.db2.gz IHODYYXYDBKFRV-UHFFFAOYSA-N 2 1 295.430 3.426 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC001340513057 936407231 /nfs/dbraw/zinc/40/72/31/936407231.db2.gz BMXDIVMTSRKWOL-HIFRSBDPSA-N 2 1 278.465 3.447 20 0 CGADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc2ccccc2[nH]1 ZINC001341476733 936439576 /nfs/dbraw/zinc/43/95/76/936439576.db2.gz YFQDPVATPHFUAC-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc2ccccc2[nH]1 ZINC001341476733 936439577 /nfs/dbraw/zinc/43/95/77/936439577.db2.gz YFQDPVATPHFUAC-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cc2ccccc2[nH]1 ZINC001341476733 936439580 /nfs/dbraw/zinc/43/95/80/936439580.db2.gz YFQDPVATPHFUAC-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cc2ccccc2[nH]1 ZINC001341476733 936439581 /nfs/dbraw/zinc/43/95/81/936439581.db2.gz YFQDPVATPHFUAC-INIZCTEOSA-N 2 1 271.408 3.084 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC001350092482 936978174 /nfs/dbraw/zinc/97/81/74/936978174.db2.gz KCEDKILXALUEGH-OAHLLOKOSA-N 2 1 264.438 3.022 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000399018694 926754812 /nfs/dbraw/zinc/75/48/12/926754812.db2.gz DFHFMDNZASCPQE-GXFFZTMASA-N 2 1 287.234 3.266 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC001324849258 928186626 /nfs/dbraw/zinc/18/66/26/928186626.db2.gz XUUFZDMFQFGEKH-WMLDXEAASA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001459590566 937492718 /nfs/dbraw/zinc/49/27/18/937492718.db2.gz XQYXEHPLEBZVMT-SQNIBIBYSA-N 2 1 290.426 3.488 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001459590566 937492720 /nfs/dbraw/zinc/49/27/20/937492720.db2.gz XQYXEHPLEBZVMT-SQNIBIBYSA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001459590566 937492721 /nfs/dbraw/zinc/49/27/21/937492721.db2.gz XQYXEHPLEBZVMT-SQNIBIBYSA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001459590566 937492723 /nfs/dbraw/zinc/49/27/23/937492723.db2.gz XQYXEHPLEBZVMT-SQNIBIBYSA-N 2 1 290.426 3.488 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)CC(C)(C)C)CC1 ZINC001459618389 937493816 /nfs/dbraw/zinc/49/38/16/937493816.db2.gz DJOPBYQWBXDJMZ-CQSZACIVSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)CC(C)(C)C)CC1 ZINC001459618389 937493819 /nfs/dbraw/zinc/49/38/19/937493819.db2.gz DJOPBYQWBXDJMZ-CQSZACIVSA-N 2 1 254.462 3.475 20 0 CGADMP Cc1cccc(C2([NH2+]CC[C@@H]3CCC[N@@H+]3C)CCC2)c1 ZINC001460292788 937524884 /nfs/dbraw/zinc/52/48/84/937524884.db2.gz QWLHUNFHWVPCEL-KRWDZBQOSA-N 2 1 272.436 3.448 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001460563639 937535361 /nfs/dbraw/zinc/53/53/61/937535361.db2.gz XZAIKEXSDUDOCK-BHYGNILZSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001460563639 937535363 /nfs/dbraw/zinc/53/53/63/937535363.db2.gz XZAIKEXSDUDOCK-BHYGNILZSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001460563639 937535365 /nfs/dbraw/zinc/53/53/65/937535365.db2.gz XZAIKEXSDUDOCK-BHYGNILZSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001460563639 937535366 /nfs/dbraw/zinc/53/53/66/937535366.db2.gz XZAIKEXSDUDOCK-BHYGNILZSA-N 2 1 258.409 3.021 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC[NH+]1CCCCC1 ZINC001460695364 937540648 /nfs/dbraw/zinc/54/06/48/937540648.db2.gz ZJMKMZVQCJPXAU-UHFFFAOYSA-N 3 1 295.515 3.060 20 0 CGADMP C[N@H+](CCCC[NH+]1CCCCC1)CCCN1CCCCC1 ZINC001460695364 937540650 /nfs/dbraw/zinc/54/06/50/937540650.db2.gz ZJMKMZVQCJPXAU-UHFFFAOYSA-N 2 1 295.515 3.060 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCN1CCCCC1 ZINC001460695364 937540652 /nfs/dbraw/zinc/54/06/52/937540652.db2.gz ZJMKMZVQCJPXAU-UHFFFAOYSA-N 2 1 295.515 3.060 20 0 CGADMP CCc1cc(NCCC[N@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000307769349 932022069 /nfs/dbraw/zinc/02/20/69/932022069.db2.gz LKCNTDFTIFFRLR-CQSZACIVSA-N 2 1 261.413 3.320 20 0 CGADMP CCCC[C@H](CC)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001460997876 937558340 /nfs/dbraw/zinc/55/83/40/937558340.db2.gz VIYHELITRWWLHJ-AWEZNQCLSA-N 2 1 263.429 3.454 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]CCC[NH+](CC)CC)c1 ZINC001461002121 937558698 /nfs/dbraw/zinc/55/86/98/937558698.db2.gz QSVLBUOPALOCOQ-UHFFFAOYSA-N 2 1 282.403 3.046 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461142896 937565695 /nfs/dbraw/zinc/56/56/95/937565695.db2.gz HQHBIBYMJGEACX-MAUKXSAKSA-N 2 1 274.452 3.254 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001461142896 937565697 /nfs/dbraw/zinc/56/56/97/937565697.db2.gz HQHBIBYMJGEACX-MAUKXSAKSA-N 2 1 274.452 3.254 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC001461181838 937568136 /nfs/dbraw/zinc/56/81/36/937568136.db2.gz NGTWFBWJSGXZCG-CYBMUJFWSA-N 2 1 298.377 3.028 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC001461181838 937568137 /nfs/dbraw/zinc/56/81/37/937568137.db2.gz NGTWFBWJSGXZCG-CYBMUJFWSA-N 2 1 298.377 3.028 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1 ZINC001461832100 937600283 /nfs/dbraw/zinc/60/02/83/937600283.db2.gz RXBRAYRBPCYRMV-INDMIFKZSA-N 2 1 286.463 3.356 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001461860990 937602541 /nfs/dbraw/zinc/60/25/41/937602541.db2.gz JMEICENYBQBNPC-WMZOPIPTSA-N 2 1 287.451 3.035 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001461860990 937602543 /nfs/dbraw/zinc/60/25/43/937602543.db2.gz JMEICENYBQBNPC-WMZOPIPTSA-N 2 1 287.451 3.035 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001461860990 937602544 /nfs/dbraw/zinc/60/25/44/937602544.db2.gz JMEICENYBQBNPC-WMZOPIPTSA-N 2 1 287.451 3.035 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(C)s1 ZINC001233699788 932685158 /nfs/dbraw/zinc/68/51/58/932685158.db2.gz DIYSWIFJPNHPBC-UHFFFAOYSA-N 2 1 254.443 3.139 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(C)s1 ZINC001233699788 932685162 /nfs/dbraw/zinc/68/51/62/932685162.db2.gz DIYSWIFJPNHPBC-UHFFFAOYSA-N 2 1 254.443 3.139 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@]1(C)CCCCO1 ZINC001462196658 937624160 /nfs/dbraw/zinc/62/41/60/937624160.db2.gz ABCHCVRTBPOXLM-KRWDZBQOSA-N 2 1 293.455 3.117 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@]1(C)CCCCO1 ZINC001462196658 937624163 /nfs/dbraw/zinc/62/41/63/937624163.db2.gz ABCHCVRTBPOXLM-KRWDZBQOSA-N 2 1 293.455 3.117 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCSC3(CCC3)CC2)CC1 ZINC001462337250 937633927 /nfs/dbraw/zinc/63/39/27/937633927.db2.gz AWIOHZXYFJAPGY-UHFFFAOYSA-N 2 1 282.497 3.080 20 0 CGADMP CO[C@H](C[NH2+]CCC[N@@H+](C)CC(C)C)C1CCCCC1 ZINC001462407300 937638835 /nfs/dbraw/zinc/63/88/35/937638835.db2.gz VVUUSESGUZQYLP-QGZVFWFLSA-N 2 1 284.488 3.149 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CC(C)(C)OC1(C)C ZINC001307497206 932961426 /nfs/dbraw/zinc/96/14/26/932961426.db2.gz DHPMAWVBNYEZLD-CVEARBPZSA-N 2 1 296.499 3.386 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CC(C)(C)OC1(C)C ZINC001307497206 932961427 /nfs/dbraw/zinc/96/14/27/932961427.db2.gz DHPMAWVBNYEZLD-CVEARBPZSA-N 2 1 296.499 3.386 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CC(C)(C)OC1(C)C ZINC001307497206 932961433 /nfs/dbraw/zinc/96/14/33/932961433.db2.gz DHPMAWVBNYEZLD-CVEARBPZSA-N 2 1 296.499 3.386 20 0 CGADMP CC[C@@](C)(C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)OC ZINC001462522871 937647264 /nfs/dbraw/zinc/64/72/64/937647264.db2.gz KNHCORGGNXLPNR-KRWDZBQOSA-N 2 1 284.488 3.101 20 0 CGADMP CCc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001307874920 933012289 /nfs/dbraw/zinc/01/22/89/933012289.db2.gz DJCJHQOCMMJFPF-UHFFFAOYSA-N 2 1 295.430 3.356 20 0 CGADMP C[C@@H]1CC(CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C[C@@H](C)C1 ZINC001308119791 933053611 /nfs/dbraw/zinc/05/36/11/933053611.db2.gz GQWQCPGUENQSJZ-ONIAQPFYSA-N 2 1 278.484 3.332 20 0 CGADMP C[C@@H]1CC(CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C[C@@H](C)C1 ZINC001308119791 933053615 /nfs/dbraw/zinc/05/36/15/933053615.db2.gz GQWQCPGUENQSJZ-ONIAQPFYSA-N 2 1 278.484 3.332 20 0 CGADMP C[C@@H]1CC(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C[C@@H](C)C1 ZINC001308119791 933053620 /nfs/dbraw/zinc/05/36/20/933053620.db2.gz GQWQCPGUENQSJZ-ONIAQPFYSA-N 2 1 278.484 3.332 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H](C)CC(C)C ZINC001308744175 933168995 /nfs/dbraw/zinc/16/89/95/933168995.db2.gz DADYRAGLIMWITB-MRXNPFEDSA-N 2 1 254.462 3.476 20 0 CGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H](C)C(C)(C)C ZINC001308741722 933168151 /nfs/dbraw/zinc/16/81/51/933168151.db2.gz XBDHAQAGWKFNCU-IRXDYDNUSA-N 2 1 297.531 3.017 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC001308815924 933183431 /nfs/dbraw/zinc/18/34/31/933183431.db2.gz RYBFVFJHODMNTI-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC001308815924 933183434 /nfs/dbraw/zinc/18/34/34/933183434.db2.gz RYBFVFJHODMNTI-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001319281826 933852826 /nfs/dbraw/zinc/85/28/26/933852826.db2.gz CVCBYWAGMHMWHI-CGTJXYLNSA-N 2 1 272.436 3.142 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(F)cc1 ZINC001320562796 934067801 /nfs/dbraw/zinc/06/78/01/934067801.db2.gz OPGBFHKDLWFBBD-COXVUDFISA-N 2 1 278.415 3.392 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC001320689465 934089933 /nfs/dbraw/zinc/08/99/33/934089933.db2.gz FMMSIDIEGFLELX-HRCADAONSA-N 2 1 252.446 3.134 20 0 CGADMP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001321323380 934174746 /nfs/dbraw/zinc/17/47/46/934174746.db2.gz PNIPJZJIHRGVFP-GOSISDBHSA-N 2 1 272.436 3.480 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1 ZINC001474757099 934177670 /nfs/dbraw/zinc/17/76/70/934177670.db2.gz QBMQJEDJDFHDSP-GUDVDZBRSA-N 2 1 286.463 3.282 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCc2c1cccc2F ZINC001321652215 934201207 /nfs/dbraw/zinc/20/12/07/934201207.db2.gz DWRVMYQFRWOLQW-KRWDZBQOSA-N 2 1 276.399 3.231 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2c1cccc2F ZINC001321652215 934201214 /nfs/dbraw/zinc/20/12/14/934201214.db2.gz DWRVMYQFRWOLQW-KRWDZBQOSA-N 2 1 276.399 3.231 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322641882 934322256 /nfs/dbraw/zinc/32/22/56/934322256.db2.gz DKDMJZDGUQSMHZ-RDBSUJKOSA-N 2 1 272.502 3.369 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2)[C@@H](C)C1 ZINC001323567594 934408025 /nfs/dbraw/zinc/40/80/25/934408025.db2.gz LZFOJGNSUNMCHE-WMLDXEAASA-N 2 1 278.415 3.030 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCc1ccc(F)cc1 ZINC001323565319 934408322 /nfs/dbraw/zinc/40/83/22/934408322.db2.gz AUGGLTLWJADFRA-HUUCEWRRSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCc1ccc(F)cc1 ZINC001323565319 934408328 /nfs/dbraw/zinc/40/83/28/934408328.db2.gz AUGGLTLWJADFRA-HUUCEWRRSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](Nc3cc(C)[nH+]c(C)n3)C2)c1 ZINC001472844356 937786579 /nfs/dbraw/zinc/78/65/79/937786579.db2.gz NYFUEICZAZTZSU-KRWDZBQOSA-N 2 1 296.418 3.088 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H](Nc3cc(C)[nH+]c(C)n3)C2)c1 ZINC001472844356 937786580 /nfs/dbraw/zinc/78/65/80/937786580.db2.gz NYFUEICZAZTZSU-KRWDZBQOSA-N 2 1 296.418 3.088 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC001325720284 934925165 /nfs/dbraw/zinc/92/51/65/934925165.db2.gz FVHXSKFGAJNJPK-QWRGUYRKSA-N 2 1 269.458 3.224 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001328411161 935135435 /nfs/dbraw/zinc/13/54/35/935135435.db2.gz BIKZUDINZNCFFW-ROUUACIJSA-N 2 1 284.447 3.256 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC001329068959 935183224 /nfs/dbraw/zinc/18/32/24/935183224.db2.gz WIHOJYANUXIIKX-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP FC1(F)CCC[C@H]1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001331288919 935365673 /nfs/dbraw/zinc/36/56/73/935365673.db2.gz NNDRAJVKTUUWQS-AWEZNQCLSA-N 2 1 286.410 3.278 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC001331833200 935412961 /nfs/dbraw/zinc/41/29/61/935412961.db2.gz GWVSYIRELWPAJH-QWRGUYRKSA-N 2 1 290.329 3.234 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001333743226 936061805 /nfs/dbraw/zinc/06/18/05/936061805.db2.gz VSIKFNNTPUUIDK-HZPDHXFCSA-N 2 1 292.471 3.043 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001334358195 936099965 /nfs/dbraw/zinc/09/99/65/936099965.db2.gz XKJJSNDGYHBDAQ-BSWAZPDLSA-N 2 1 292.492 3.341 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C2CCCC2)C1 ZINC001473886753 937827795 /nfs/dbraw/zinc/82/77/95/937827795.db2.gz IONSESLNGKLNHK-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001473886753 937827796 /nfs/dbraw/zinc/82/77/96/937827796.db2.gz IONSESLNGKLNHK-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001473886753 937827798 /nfs/dbraw/zinc/82/77/98/937827798.db2.gz IONSESLNGKLNHK-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CCC[C@H](SC)C1)[NH+]1CCCC1 ZINC001473926768 937830437 /nfs/dbraw/zinc/83/04/37/937830437.db2.gz HXNFAWDZZVBEJG-ZNMIVQPWSA-N 2 1 270.486 3.125 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC001474437302 937860054 /nfs/dbraw/zinc/86/00/54/937860054.db2.gz WQZDMLGUQUYFTC-JSGCOSHPSA-N 2 1 292.389 3.381 20 0 CGADMP CC[N@@H+](CCC[NH2+]CC1CC(OC)C1)C1CCCCC1 ZINC001474615174 937870864 /nfs/dbraw/zinc/87/08/64/937870864.db2.gz PSQMTVOWOGNDEI-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC001550353770 938166144 /nfs/dbraw/zinc/16/61/44/938166144.db2.gz RLFCGGQQWIEIOE-MUIFIZLQSA-N 2 1 258.409 3.197 20 0 CGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC001550350067 938166226 /nfs/dbraw/zinc/16/62/26/938166226.db2.gz FNGARLMHORWPKH-VHDGCEQUSA-N 2 1 294.389 3.272 20 0 CGADMP [NH3+]C1CC(C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC001550704873 938170241 /nfs/dbraw/zinc/17/02/41/938170241.db2.gz LNZZLWVXDRPNFU-UHFFFAOYSA-N 2 1 282.387 3.042 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001559524532 938228491 /nfs/dbraw/zinc/22/84/91/938228491.db2.gz HSUFKWFKNCXWQB-CABCVRRESA-N 2 1 254.462 3.473 20 0 CGADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CCC(c4ccccc4)CC3)C[C@H]21 ZINC001560042891 938242653 /nfs/dbraw/zinc/24/26/53/938242653.db2.gz DOQJNVGJUQRBOI-CXQXYQMASA-N 2 1 298.474 3.452 20 0 CGADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CCC(c4ccccc4)CC3)C[C@H]21 ZINC001560042891 938242654 /nfs/dbraw/zinc/24/26/54/938242654.db2.gz DOQJNVGJUQRBOI-CXQXYQMASA-N 2 1 298.474 3.452 20 0 CGADMP CC(C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001560349725 938254386 /nfs/dbraw/zinc/25/43/86/938254386.db2.gz UNBJOGWBXQBIMR-DZGCQCFKSA-N 2 1 266.454 3.377 20 0 CGADMP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001560349725 938254388 /nfs/dbraw/zinc/25/43/88/938254388.db2.gz UNBJOGWBXQBIMR-DZGCQCFKSA-N 2 1 266.454 3.377 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC001560663409 938268474 /nfs/dbraw/zinc/26/84/74/938268474.db2.gz LAGBJXDROHQRKJ-CQSZACIVSA-N 2 1 280.481 3.343 20 0 CGADMP CCCCO[C@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1(C)C ZINC001560803502 938276881 /nfs/dbraw/zinc/27/68/81/938276881.db2.gz YKVULRFUTJYKHL-OAGGEKHMSA-N 2 1 284.488 3.290 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC001560813368 938277786 /nfs/dbraw/zinc/27/77/86/938277786.db2.gz WDNKTTVFZVWFIV-BZZMCLGOSA-N 2 1 276.468 3.086 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001560852644 938279526 /nfs/dbraw/zinc/27/95/26/938279526.db2.gz RWPQHZNYGKUVQF-SFHVURJKSA-N 2 1 287.451 3.036 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001560852644 938279528 /nfs/dbraw/zinc/27/95/28/938279528.db2.gz RWPQHZNYGKUVQF-SFHVURJKSA-N 2 1 287.451 3.036 20 0 CGADMP CCNc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001560852644 938279530 /nfs/dbraw/zinc/27/95/30/938279530.db2.gz RWPQHZNYGKUVQF-SFHVURJKSA-N 2 1 287.451 3.036 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1(C)C ZINC001560870299 938280983 /nfs/dbraw/zinc/28/09/83/938280983.db2.gz DKPFPJRTEMUXIJ-BZUAXINKSA-N 2 1 284.488 3.289 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1(C)C ZINC001560870299 938280984 /nfs/dbraw/zinc/28/09/84/938280984.db2.gz DKPFPJRTEMUXIJ-BZUAXINKSA-N 2 1 284.488 3.289 20 0 CGADMP CCCN1CCC([NH2+][C@H](c2ccccn2)C(C)C)CC1 ZINC000766081067 957841775 /nfs/dbraw/zinc/84/17/75/957841775.db2.gz JXLMNOBLECTWBE-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](c2ccccn2)C(C)C)CC1 ZINC000766081067 957841795 /nfs/dbraw/zinc/84/17/95/957841795.db2.gz JXLMNOBLECTWBE-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC[NH2+]2)C12CCC2 ZINC001575248007 962354060 /nfs/dbraw/zinc/35/40/60/962354060.db2.gz SKMQGUJAENEINA-OWCLPIDISA-N 2 1 294.483 3.235 20 0 CGADMP CC(C)c1cccc2c1CC[N@@H+](CC(C)(C)C[NH3+])C2 ZINC001575864182 962421094 /nfs/dbraw/zinc/42/10/94/962421094.db2.gz SRHDZNKGMTZORT-UHFFFAOYSA-N 2 1 260.425 3.153 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(C)C)C[NH2+]1 ZINC001576671328 962486044 /nfs/dbraw/zinc/48/60/44/962486044.db2.gz YELJWBUGABJSNS-SIXLDLHFSA-N 2 1 272.436 3.156 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)Cc1ccccc1 ZINC001576850317 962487807 /nfs/dbraw/zinc/48/78/07/962487807.db2.gz RYLPJNMDJFHDRN-RYQLBKOJSA-N 2 1 274.452 3.089 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)CC12CCCCC2 ZINC001576731217 962493553 /nfs/dbraw/zinc/49/35/53/962493553.db2.gz GTZFCHOQWPSXOQ-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](N)CC(F)(F)F ZINC001577526862 962554132 /nfs/dbraw/zinc/55/41/32/962554132.db2.gz HQDPUUNGQIFFKK-CYBMUJFWSA-N 2 1 292.320 3.317 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@H](N)CC(F)(F)F ZINC001577526862 962554142 /nfs/dbraw/zinc/55/41/42/962554142.db2.gz HQDPUUNGQIFFKK-CYBMUJFWSA-N 2 1 292.320 3.317 20 0 CGADMP CCCc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC001577608444 962554470 /nfs/dbraw/zinc/55/44/70/962554470.db2.gz DDOMBVUPFYXAFW-OKZBNKHCSA-N 2 1 272.436 3.198 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1C ZINC001577713036 962562469 /nfs/dbraw/zinc/56/24/69/962562469.db2.gz JYZCSVQCBOQWGE-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)C12CCC2 ZINC001578087649 962562575 /nfs/dbraw/zinc/56/25/75/962562575.db2.gz PQJRWSQBWGKLFW-ARFHVFGLSA-N 2 1 296.499 3.420 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)C12CCC2 ZINC001578087649 962562589 /nfs/dbraw/zinc/56/25/89/962562589.db2.gz PQJRWSQBWGKLFW-ARFHVFGLSA-N 2 1 296.499 3.420 20 0 CGADMP CC[N@@H+](CCCOc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001577715721 962565238 /nfs/dbraw/zinc/56/52/38/962565238.db2.gz UHWDBNMYNWOIMR-UHFFFAOYSA-N 2 1 296.842 3.183 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H](C[NH3+])C(C)C)cc1 ZINC001579202345 962609544 /nfs/dbraw/zinc/60/95/44/962609544.db2.gz TZJRGPUHAPZZMX-RDJZCZTQSA-N 2 1 276.424 3.063 20 0 CGADMP COCC[C@H](c1ccccc1)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC001579005795 962612077 /nfs/dbraw/zinc/61/20/77/962612077.db2.gz YVMZABAMAKBKIS-DLBZAZTESA-N 2 1 278.440 3.069 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC001579581544 962637002 /nfs/dbraw/zinc/63/70/02/962637002.db2.gz ZIKKDQUCMSPXIL-SJORKVTESA-N 2 1 258.409 3.007 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC001579581544 962637018 /nfs/dbraw/zinc/63/70/18/962637018.db2.gz ZIKKDQUCMSPXIL-SJORKVTESA-N 2 1 258.409 3.007 20 0 CGADMP Cc1ccc(C[NH2+][C@@]2(C[NH3+])CCCC[C@@H]2C)c(C)c1 ZINC001579696873 962658427 /nfs/dbraw/zinc/65/84/27/962658427.db2.gz KNQPRDKSTAXIAN-DOTOQJQBSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)[C@H](C)C2 ZINC001579738353 962661750 /nfs/dbraw/zinc/66/17/50/962661750.db2.gz ZEZPFCZOEFJZTD-DTDBQYNISA-N 2 1 272.436 3.349 20 0 CGADMP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001579724145 962665778 /nfs/dbraw/zinc/66/57/78/962665778.db2.gz YERGPLVNPAGCJH-TZMCWYRMSA-N 2 1 298.377 3.013 20 0 CGADMP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001579724145 962665787 /nfs/dbraw/zinc/66/57/87/962665787.db2.gz YERGPLVNPAGCJH-TZMCWYRMSA-N 2 1 298.377 3.013 20 0 CGADMP Cc1cccc2cc(C[NH2+]CC[C@H](C)[NH3+])c(Cl)nc12 ZINC001579780570 962673914 /nfs/dbraw/zinc/67/39/14/962673914.db2.gz BWLUUCQRFLJEJW-NSHDSACASA-N 2 1 277.799 3.024 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001580033614 962690375 /nfs/dbraw/zinc/69/03/75/962690375.db2.gz UTGQYMKXHAVQHW-FZCLSBEQSA-N 2 1 288.410 3.003 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)C12CCC2 ZINC001580165978 962695278 /nfs/dbraw/zinc/69/52/78/962695278.db2.gz VLBABGLJKOPCAO-ZIAGYGMSSA-N 2 1 291.464 3.160 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C12CCC2 ZINC001580162806 962698239 /nfs/dbraw/zinc/69/82/39/962698239.db2.gz GAGNGIOOFIQUJC-OLZOCXBDSA-N 2 1 285.218 3.353 20 0 CGADMP [NH3+]CCCCCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001580293046 962716143 /nfs/dbraw/zinc/71/61/43/962716143.db2.gz MNSCWKVXCPEXRP-UHFFFAOYSA-N 2 1 252.789 3.175 20 0 CGADMP [NH3+]CCCCCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001580293046 962716158 /nfs/dbraw/zinc/71/61/58/962716158.db2.gz MNSCWKVXCPEXRP-UHFFFAOYSA-N 2 1 252.789 3.175 20 0 CGADMP c1cc2cccc3c2c(c1)CC[C@H]3[NH2+]C[C@H]1CCC[NH2+]1 ZINC001580889458 962746163 /nfs/dbraw/zinc/74/61/63/962746163.db2.gz APADFAWCGZFUNB-NVXWUHKLSA-N 2 1 266.388 3.169 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000337410332 214063318 /nfs/dbraw/zinc/06/33/18/214063318.db2.gz WOJJKNKLLUENBA-BVBHFADKSA-N 2 1 299.462 3.324 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000337410332 214063322 /nfs/dbraw/zinc/06/33/22/214063322.db2.gz WOJJKNKLLUENBA-BVBHFADKSA-N 2 1 299.462 3.324 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000124798568 187154477 /nfs/dbraw/zinc/15/44/77/187154477.db2.gz OGKITHZDHHMGRS-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000124798568 187154478 /nfs/dbraw/zinc/15/44/78/187154478.db2.gz OGKITHZDHHMGRS-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000124798568 187154479 /nfs/dbraw/zinc/15/44/79/187154479.db2.gz OGKITHZDHHMGRS-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000124818953 187155559 /nfs/dbraw/zinc/15/55/59/187155559.db2.gz JLAIFTGRJHQAMH-SFHVURJKSA-N 2 1 283.419 3.289 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000124818953 187155560 /nfs/dbraw/zinc/15/55/60/187155560.db2.gz JLAIFTGRJHQAMH-SFHVURJKSA-N 2 1 283.419 3.289 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273069744 192036393 /nfs/dbraw/zinc/03/63/93/192036393.db2.gz NCLBJLFEKRQPAQ-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000124959673 187163420 /nfs/dbraw/zinc/16/34/20/187163420.db2.gz UYMAZAXNADJOTC-CYBMUJFWSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000124959673 187163421 /nfs/dbraw/zinc/16/34/21/187163421.db2.gz UYMAZAXNADJOTC-CYBMUJFWSA-N 2 1 275.371 3.414 20 0 CGADMP c1cc2c(c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c1)CCC2 ZINC000651643636 398261555 /nfs/dbraw/zinc/26/15/55/398261555.db2.gz JFAJCMVBLRDUJC-MRXNPFEDSA-N 2 1 284.447 3.093 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CCC3)CCN1C ZINC000651644387 398261311 /nfs/dbraw/zinc/26/13/11/398261311.db2.gz PSSOVKFLUSFBRI-YOEHRIQHSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2CCC3)CC[N@@H+]1C ZINC000651644387 398261315 /nfs/dbraw/zinc/26/13/15/398261315.db2.gz PSSOVKFLUSFBRI-YOEHRIQHSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2CCC3)CC[N@H+]1C ZINC000651644387 398261321 /nfs/dbraw/zinc/26/13/21/398261321.db2.gz PSSOVKFLUSFBRI-YOEHRIQHSA-N 2 1 272.436 3.090 20 0 CGADMP CCc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000651721786 398275830 /nfs/dbraw/zinc/27/58/30/398275830.db2.gz RPUAKQJZYRKWSR-RHSMWYFYSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1cc2cnccc2o1)C(C)C ZINC000651731664 398278032 /nfs/dbraw/zinc/27/80/32/398278032.db2.gz UMZVKLGJUDAKNQ-UHFFFAOYSA-N 2 1 289.423 3.426 20 0 CGADMP COc1ccc2cc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)ccc2c1 ZINC000622005328 349620595 /nfs/dbraw/zinc/62/05/95/349620595.db2.gz BMLXBTNZEIEOAD-IEBWSBKVSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)ccc2c1 ZINC000622005328 349620598 /nfs/dbraw/zinc/62/05/98/349620598.db2.gz BMLXBTNZEIEOAD-IEBWSBKVSA-N 2 1 296.414 3.162 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000651864997 398298004 /nfs/dbraw/zinc/29/80/04/398298004.db2.gz KOTSJSABYVCZCI-FGTMMUONSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc2cccnc21 ZINC000651866446 398298966 /nfs/dbraw/zinc/29/89/66/398298966.db2.gz FFCCWUONIIYQCO-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000125521741 187188939 /nfs/dbraw/zinc/18/89/39/187188939.db2.gz ILMZCPQOCRSRHS-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000125521741 187188940 /nfs/dbraw/zinc/18/89/40/187188940.db2.gz ILMZCPQOCRSRHS-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000338016180 214362948 /nfs/dbraw/zinc/36/29/48/214362948.db2.gz JCUNTCYQCCKDML-CVEARBPZSA-N 2 1 261.413 3.140 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337996484 214352112 /nfs/dbraw/zinc/35/21/12/214352112.db2.gz KESJLONTOHOROJ-HUUCEWRRSA-N 2 1 267.392 3.090 20 0 CGADMP CC[C@@H]1C[C@@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)CCO1 ZINC000359463216 529425256 /nfs/dbraw/zinc/42/52/56/529425256.db2.gz YYZPDYFMEMPBGK-ZWKOTPCHSA-N 2 1 290.451 3.043 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccccc2)CC1 ZINC000590786690 346875909 /nfs/dbraw/zinc/87/59/09/346875909.db2.gz MMWKZUZTCCQLDN-UHFFFAOYSA-N 2 1 290.451 3.118 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC000125654569 187194886 /nfs/dbraw/zinc/19/48/86/187194886.db2.gz AMTHNJPBLGKLDZ-MQVJKMGUSA-N 2 1 280.362 3.070 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423457064 529453359 /nfs/dbraw/zinc/45/33/59/529453359.db2.gz FFVFGXZXMJVYDU-PWSUYJOCSA-N 2 1 252.427 3.015 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000125787323 187200450 /nfs/dbraw/zinc/20/04/50/187200450.db2.gz WCGYZLMVIVQTOH-CRAIPNDOSA-N 2 1 272.436 3.384 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CC1(C)C ZINC000414080816 529592590 /nfs/dbraw/zinc/59/25/90/529592590.db2.gz DMJTYKGORKGSTD-CVEARBPZSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)[C@H]1C[C@H]1C ZINC000414131874 529586087 /nfs/dbraw/zinc/58/60/87/529586087.db2.gz YLSSMLJQLJDQDH-COXVUDFISA-N 2 1 287.451 3.383 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1OC ZINC000414172523 529605862 /nfs/dbraw/zinc/60/58/62/529605862.db2.gz FJYGDUYSPAOEAU-WBVHZDCISA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000126107296 187217827 /nfs/dbraw/zinc/21/78/27/187217827.db2.gz HARSLSFYMQEWOH-MGPQQGTHSA-N 2 1 280.481 3.344 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC1(C)C ZINC000623336450 349780730 /nfs/dbraw/zinc/78/07/30/349780730.db2.gz OYZGNZCYHKAUBH-OAHLLOKOSA-N 2 1 280.843 3.345 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2occc21 ZINC000192824295 282211225 /nfs/dbraw/zinc/21/12/25/282211225.db2.gz CHDGNICPYQSAIH-SWLSCSKDSA-N 2 1 273.380 3.088 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339365 349782924 /nfs/dbraw/zinc/78/29/24/349782924.db2.gz WNOLWUSMDGWPDZ-UONOGXRCSA-N 2 1 264.413 3.063 20 0 CGADMP COc1ccccc1[C@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339191 349782983 /nfs/dbraw/zinc/78/29/83/349782983.db2.gz NYIGIDHSJZDAHP-KBPBESRZSA-N 2 1 276.424 3.219 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623339191 349782986 /nfs/dbraw/zinc/78/29/86/349782986.db2.gz NYIGIDHSJZDAHP-KBPBESRZSA-N 2 1 276.424 3.219 20 0 CGADMP C[N@H+]1CC[C@@H](NCc2cc3ccccc3o2)CC1(C)C ZINC000623358575 349788511 /nfs/dbraw/zinc/78/85/11/349788511.db2.gz GURKDJSTKCAMOI-CQSZACIVSA-N 2 1 272.392 3.395 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)CC1(C)C ZINC000623358575 349788515 /nfs/dbraw/zinc/78/85/15/349788515.db2.gz GURKDJSTKCAMOI-CQSZACIVSA-N 2 1 272.392 3.395 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc(F)c1 ZINC000423259029 529668492 /nfs/dbraw/zinc/66/84/92/529668492.db2.gz CZQNDBDFNXLUJH-GJZGRUSLSA-N 2 1 252.377 3.240 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378775 349794323 /nfs/dbraw/zinc/79/43/23/349794323.db2.gz QADDAHLGKHSTJV-LJISPDSOSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000623396487 349797600 /nfs/dbraw/zinc/79/76/00/349797600.db2.gz UGGGPDIECXYQIL-ZDUSSCGKSA-N 2 1 295.496 3.271 20 0 CGADMP CCC[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401855 349799905 /nfs/dbraw/zinc/79/99/05/349799905.db2.gz RAGCBSMHNYBHBZ-ZBFHGGJFSA-N 2 1 275.440 3.385 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401855 349799912 /nfs/dbraw/zinc/79/99/12/349799912.db2.gz RAGCBSMHNYBHBZ-ZBFHGGJFSA-N 2 1 275.440 3.385 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623401855 349799916 /nfs/dbraw/zinc/79/99/16/349799916.db2.gz RAGCBSMHNYBHBZ-ZBFHGGJFSA-N 2 1 275.440 3.385 20 0 CGADMP CCOc1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405357 349800750 /nfs/dbraw/zinc/80/07/50/349800750.db2.gz DEUFWTNIGPKVTG-INIZCTEOSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CC1(C)C ZINC000623417702 349803387 /nfs/dbraw/zinc/80/33/87/349803387.db2.gz LLJZLQSPQJKQKD-QGZVFWFLSA-N 3 1 295.515 3.105 20 0 CGADMP CN1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CC1(C)C ZINC000623417702 349803389 /nfs/dbraw/zinc/80/33/89/349803389.db2.gz LLJZLQSPQJKQKD-QGZVFWFLSA-N 2 1 295.515 3.105 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)C1 ZINC000623428023 349805290 /nfs/dbraw/zinc/80/52/90/349805290.db2.gz WPSALXWFDNPCTJ-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000423273111 529707597 /nfs/dbraw/zinc/70/75/97/529707597.db2.gz ZVQUZRYRMDFTOF-NEPJUHHUSA-N 2 1 254.443 3.335 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2Cc2ccccc2)CC1(C)C ZINC000623430239 349806519 /nfs/dbraw/zinc/80/65/19/349806519.db2.gz HAGQNILREQAVNJ-ULQDDVLXSA-N 2 1 272.436 3.080 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000414182467 529721431 /nfs/dbraw/zinc/72/14/31/529721431.db2.gz NHIFKHVPXFXGMQ-UONOGXRCSA-N 2 1 264.413 3.225 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000366258083 529730091 /nfs/dbraw/zinc/73/00/91/529730091.db2.gz GQDZBPGEVPMCPF-UBHSHLNASA-N 2 1 293.480 3.291 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000366258083 529730092 /nfs/dbraw/zinc/73/00/92/529730092.db2.gz GQDZBPGEVPMCPF-UBHSHLNASA-N 2 1 293.480 3.291 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000623477676 349816734 /nfs/dbraw/zinc/81/67/34/349816734.db2.gz ONHIJUFVGXUVMU-QLFBSQMISA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccs2)CC1(C)C ZINC000623480890 349817474 /nfs/dbraw/zinc/81/74/74/349817474.db2.gz LCIAHRPJPZWTPQ-ZDUSSCGKSA-N 2 1 266.454 3.143 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126848853 187265970 /nfs/dbraw/zinc/26/59/70/187265970.db2.gz NBKVGOVQFALEKU-KGLIPLIRSA-N 2 1 266.454 3.348 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126848853 187265972 /nfs/dbraw/zinc/26/59/72/187265972.db2.gz NBKVGOVQFALEKU-KGLIPLIRSA-N 2 1 266.454 3.348 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506337 349823158 /nfs/dbraw/zinc/82/31/58/349823158.db2.gz NZFAVPNZVORNGB-HZPDHXFCSA-N 2 1 294.483 3.331 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNc2cccc(F)c2)CC1(C)C ZINC000623490676 349819247 /nfs/dbraw/zinc/81/92/47/349819247.db2.gz SHHNXLCLEIDCDB-MRXNPFEDSA-N 2 1 293.430 3.090 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC1(C)C ZINC000623549148 349831207 /nfs/dbraw/zinc/83/12/07/349831207.db2.gz RTCPMYROHSSHNA-JYJNAYRXSA-N 2 1 264.457 3.275 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623607071 349848387 /nfs/dbraw/zinc/84/83/87/349848387.db2.gz VSSCMRAMPIZSRW-BDXSIMOUSA-N 2 1 284.447 3.395 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000623656216 349858528 /nfs/dbraw/zinc/85/85/28/349858528.db2.gz PFMRCYYHYQIPGS-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623656216 349858534 /nfs/dbraw/zinc/85/85/34/349858534.db2.gz PFMRCYYHYQIPGS-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656862 349858007 /nfs/dbraw/zinc/85/80/07/349858007.db2.gz DKJFYLWDTDWPDR-GOEBONIOSA-N 2 1 278.415 3.078 20 0 CGADMP Fc1ccc(/C=C\CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728274 349872148 /nfs/dbraw/zinc/87/21/48/349872148.db2.gz GDUJHHCNMAMUJZ-DDKKJVIOSA-N 2 1 288.410 3.445 20 0 CGADMP Fc1ccc(/C=C\CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728274 349872152 /nfs/dbraw/zinc/87/21/52/349872152.db2.gz GDUJHHCNMAMUJZ-DDKKJVIOSA-N 2 1 288.410 3.445 20 0 CGADMP C[N@@H+](CCOc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000358350631 529926448 /nfs/dbraw/zinc/92/64/48/529926448.db2.gz DORHQDRTGWYXRF-QGZVFWFLSA-N 2 1 298.430 3.293 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1C(F)(F)F ZINC000623850084 349895379 /nfs/dbraw/zinc/89/53/79/349895379.db2.gz XLLJLYGTNCFLBJ-SNVBAGLBSA-N 2 1 292.320 3.447 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCCO1 ZINC000623864526 349899095 /nfs/dbraw/zinc/89/90/95/349899095.db2.gz RGABPCJPAMNLPV-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000423255580 529986040 /nfs/dbraw/zinc/98/60/40/529986040.db2.gz AHYMWHFBFOCCSN-ZIAGYGMSSA-N 2 1 272.392 3.453 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000423283097 529998839 /nfs/dbraw/zinc/99/88/39/529998839.db2.gz XCIULRJGUOMIIP-RYUDHWBXSA-N 2 1 286.366 3.103 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000044535787 345012824 /nfs/dbraw/zinc/01/28/24/345012824.db2.gz OKFRTKJFWMOCMY-OAHLLOKOSA-N 2 1 268.404 3.271 20 0 CGADMP C[C@H](CC[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044532696 345012901 /nfs/dbraw/zinc/01/29/01/345012901.db2.gz ONNDNBQVQQYRCP-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)o1 ZINC000273243088 192085415 /nfs/dbraw/zinc/08/54/15/192085415.db2.gz BYLPHBKNIBKYPP-AAEUAGOBSA-N 2 1 275.396 3.388 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CC(C)(C)C)c2)CCO1 ZINC000066989572 345311127 /nfs/dbraw/zinc/31/11/27/345311127.db2.gz DCMWLLFOLINVDU-OAHLLOKOSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CC(C)(C)C)c2)CCO1 ZINC000066989572 345311133 /nfs/dbraw/zinc/31/11/33/345311133.db2.gz DCMWLLFOLINVDU-OAHLLOKOSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCCCO1 ZINC000623957648 349927891 /nfs/dbraw/zinc/92/78/91/349927891.db2.gz PMJIANQKIKRRQG-UIBIWLFHSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)c(F)c1 ZINC000096543580 232181475 /nfs/dbraw/zinc/18/14/75/232181475.db2.gz VZBLAPFAPZOIFR-NSHDSACASA-N 2 1 270.367 3.203 20 0 CGADMP C[NH+](Cc1ccc(C[N@@H+](C)CC2CC2)cc1)CC1CC1 ZINC000077194455 345559988 /nfs/dbraw/zinc/55/99/88/345559988.db2.gz DWSFHGUNVDSKPJ-UHFFFAOYSA-N 2 1 272.436 3.370 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000078562948 345613837 /nfs/dbraw/zinc/61/38/37/345613837.db2.gz FPNUJNJOAKXEMD-ZDUSSCGKSA-N 2 1 289.448 3.464 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000078562948 345613840 /nfs/dbraw/zinc/61/38/40/345613840.db2.gz FPNUJNJOAKXEMD-ZDUSSCGKSA-N 2 1 289.448 3.464 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000080338833 345671265 /nfs/dbraw/zinc/67/12/65/345671265.db2.gz VGHHUUULVOIHPZ-QFBILLFUSA-N 2 1 295.430 3.224 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000080338833 345671267 /nfs/dbraw/zinc/67/12/67/345671267.db2.gz VGHHUUULVOIHPZ-QFBILLFUSA-N 2 1 295.430 3.224 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000295117403 199354799 /nfs/dbraw/zinc/35/47/99/199354799.db2.gz VZLHOAPLYREJIJ-IIDMSEBBSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000295117403 199354800 /nfs/dbraw/zinc/35/48/00/199354800.db2.gz VZLHOAPLYREJIJ-IIDMSEBBSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000295117401 199354824 /nfs/dbraw/zinc/35/48/24/199354824.db2.gz VZLHOAPLYREJIJ-HDMKZQKVSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000295117401 199354826 /nfs/dbraw/zinc/35/48/26/199354826.db2.gz VZLHOAPLYREJIJ-HDMKZQKVSA-N 2 1 272.436 3.428 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1C ZINC000090218861 345785364 /nfs/dbraw/zinc/78/53/64/345785364.db2.gz BUVHOWGZKRRKHI-GVDBMIGSSA-N 2 1 290.451 3.082 20 0 CGADMP c1ccc(CC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000090581179 345790858 /nfs/dbraw/zinc/79/08/58/345790858.db2.gz QAMVPCOXXJEHBK-ZWKOTPCHSA-N 2 1 284.447 3.226 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]CC3(C4CC4)CC3)CC2)cc1 ZINC000090773013 345793805 /nfs/dbraw/zinc/79/38/05/345793805.db2.gz RRLXWJQBMDJNJV-UHFFFAOYSA-N 2 1 298.474 3.473 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC1CC[NH+](C)CC1 ZINC000093088955 345869359 /nfs/dbraw/zinc/86/93/59/345869359.db2.gz QPNLVMGQCQVHCN-ZWKOTPCHSA-N 2 1 272.436 3.064 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000123302419 346008239 /nfs/dbraw/zinc/00/82/39/346008239.db2.gz IWHNTZPVCJRZCK-UHFFFAOYSA-N 2 1 254.377 3.134 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000124547437 346013120 /nfs/dbraw/zinc/01/31/20/346013120.db2.gz DBVKZAOOMAFEMC-DYVFJYSZSA-N 2 1 254.377 3.151 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000157383331 346161171 /nfs/dbraw/zinc/16/11/71/346161171.db2.gz OEAZFAKKNUNPBW-HOCLYGCPSA-N 2 1 278.415 3.077 20 0 CGADMP C([C@H]1CCC[N@H+]1CC1CCCCC1)N1CCCC1 ZINC000170695343 346197060 /nfs/dbraw/zinc/19/70/60/346197060.db2.gz RHEWBOWDEKIEMJ-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP CC(C)[NH+](C/C=C\C[N@H+](C(C)C)C1CC1)C1CC1 ZINC000255068210 346396398 /nfs/dbraw/zinc/39/63/98/346396398.db2.gz XYVNHLLQGOWYGA-WAYWQWQTSA-N 2 1 250.430 3.288 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CCCCCC2)C1 ZINC000568697343 346664573 /nfs/dbraw/zinc/66/45/73/346664573.db2.gz NZENXRQVALEIPX-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CC2CCCCCC2)C1 ZINC000568697343 346664574 /nfs/dbraw/zinc/66/45/74/346664574.db2.gz NZENXRQVALEIPX-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CC2CCCCCC2)C1 ZINC000568697343 346664575 /nfs/dbraw/zinc/66/45/75/346664575.db2.gz NZENXRQVALEIPX-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)([NH+](C)C)C1 ZINC000584879456 346720682 /nfs/dbraw/zinc/72/06/82/346720682.db2.gz OROGEVSEWWWQMI-UHDSXZAQSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000589644597 346805423 /nfs/dbraw/zinc/80/54/23/346805423.db2.gz OETQKZJPBKGZOR-ZIAGYGMSSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000624120578 349976313 /nfs/dbraw/zinc/97/63/13/349976313.db2.gz BWHCIPJMOJVSDS-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000624120578 349976317 /nfs/dbraw/zinc/97/63/17/349976317.db2.gz BWHCIPJMOJVSDS-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624119761 349977059 /nfs/dbraw/zinc/97/70/59/349977059.db2.gz JAAAWWYJNSETDK-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000351866789 219231854 /nfs/dbraw/zinc/23/18/54/219231854.db2.gz VSPSRBPAHJZLIN-KBXCAEBGSA-N 2 1 268.404 3.051 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120096 349977641 /nfs/dbraw/zinc/97/76/41/349977641.db2.gz RGHIRDAEJSNEDH-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C12CCCC2 ZINC000624122258 349979843 /nfs/dbraw/zinc/97/98/43/349979843.db2.gz NFLOSRGQJSEXNH-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CCSCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602728014 348019094 /nfs/dbraw/zinc/01/90/94/348019094.db2.gz HDZHAKQDDOKZMS-NVXWUHKLSA-N 2 1 292.492 3.097 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120955 349978523 /nfs/dbraw/zinc/97/85/23/349978523.db2.gz KQBYRZFKEQABIZ-ZIAGYGMSSA-N 2 1 266.454 3.001 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000624122465 349981869 /nfs/dbraw/zinc/98/18/69/349981869.db2.gz RTZYIERQEHXFPE-FHERZECASA-N 2 1 290.426 3.393 20 0 CGADMP CC(C)n1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000604884485 348136561 /nfs/dbraw/zinc/13/65/61/348136561.db2.gz GLUYSHALBFNUDR-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP CC(C)n1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000604884485 348136565 /nfs/dbraw/zinc/13/65/65/348136565.db2.gz GLUYSHALBFNUDR-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000624122325 349982125 /nfs/dbraw/zinc/98/21/25/349982125.db2.gz OKVDLIIRTREZGC-MAUKXSAKSA-N 2 1 287.451 3.255 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3c(F)cccc3Cl)C[C@H]12 ZINC000339408339 215153506 /nfs/dbraw/zinc/15/35/06/215153506.db2.gz ZFBZUKUOFTZFLJ-PVXIVEMSSA-N 2 1 296.817 3.081 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCSC3CCCCC3)C2)C1 ZINC000339440047 215173790 /nfs/dbraw/zinc/17/37/90/215173790.db2.gz VXBNYSYVXMQROE-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCSC3CCCCC3)C2)C1 ZINC000339440047 215173794 /nfs/dbraw/zinc/17/37/94/215173794.db2.gz VXBNYSYVXMQROE-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCSC3CCCCC3)C2)C1 ZINC000339440047 215173795 /nfs/dbraw/zinc/17/37/95/215173795.db2.gz VXBNYSYVXMQROE-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP CSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000611526290 348458779 /nfs/dbraw/zinc/45/87/79/348458779.db2.gz GTGZBRRKGRXSPU-OSYLJGHBSA-N 2 1 290.476 3.135 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(O)ccc2Cl)C[C@H]1C ZINC000625213626 350141551 /nfs/dbraw/zinc/14/15/51/350141551.db2.gz MRKPPAHQVXMDNY-TZMCWYRMSA-N 2 1 296.842 3.350 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000359419297 233315011 /nfs/dbraw/zinc/31/50/11/233315011.db2.gz KSOTZBMOBHVILN-APWZRJJASA-N 2 1 298.430 3.322 20 0 CGADMP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H](C)C1(F)F ZINC000625648192 350188294 /nfs/dbraw/zinc/18/82/94/350188294.db2.gz PDTJUVXKKOZBBN-MJBXVCDLSA-N 2 1 274.399 3.084 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)C1(F)F ZINC000625648192 350188298 /nfs/dbraw/zinc/18/82/98/350188298.db2.gz PDTJUVXKKOZBBN-MJBXVCDLSA-N 2 1 274.399 3.084 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)C1(F)F ZINC000625648192 350188301 /nfs/dbraw/zinc/18/83/01/350188301.db2.gz PDTJUVXKKOZBBN-MJBXVCDLSA-N 2 1 274.399 3.084 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccccc2F)C1 ZINC000271346832 191086244 /nfs/dbraw/zinc/08/62/44/191086244.db2.gz XVIVQFWFPLDMHB-HUUCEWRRSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271346832 191086247 /nfs/dbraw/zinc/08/62/47/191086247.db2.gz XVIVQFWFPLDMHB-HUUCEWRRSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271346832 191086250 /nfs/dbraw/zinc/08/62/50/191086250.db2.gz XVIVQFWFPLDMHB-HUUCEWRRSA-N 2 1 276.399 3.099 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359748 191094833 /nfs/dbraw/zinc/09/48/33/191094833.db2.gz ZUHQDAWKPGLCFO-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359748 191094834 /nfs/dbraw/zinc/09/48/34/191094834.db2.gz ZUHQDAWKPGLCFO-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359748 191094836 /nfs/dbraw/zinc/09/48/36/191094836.db2.gz ZUHQDAWKPGLCFO-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCCS2)C[C@H]1C ZINC000628182640 350426096 /nfs/dbraw/zinc/42/60/96/350426096.db2.gz CJDFVHHMKCMYTK-ILXRZTDVSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]2(C)CCCS2)C[C@H]1C ZINC000628182640 350426098 /nfs/dbraw/zinc/42/60/98/350426098.db2.gz CJDFVHHMKCMYTK-ILXRZTDVSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]2(C)CCCS2)C[C@H]1C ZINC000628182640 350426100 /nfs/dbraw/zinc/42/61/00/350426100.db2.gz CJDFVHHMKCMYTK-ILXRZTDVSA-N 2 1 270.486 3.077 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280856 350476720 /nfs/dbraw/zinc/47/67/20/350476720.db2.gz MIEQSVRIWDDHIA-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280856 350476722 /nfs/dbraw/zinc/47/67/22/350476722.db2.gz MIEQSVRIWDDHIA-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280856 350476724 /nfs/dbraw/zinc/47/67/24/350476724.db2.gz MIEQSVRIWDDHIA-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccc([C@@H](C)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000628292737 350481789 /nfs/dbraw/zinc/48/17/89/350481789.db2.gz RCOVNPODGGJZHO-FUHWJXTLSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc([C@@H](C)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000628292737 350481792 /nfs/dbraw/zinc/48/17/92/350481792.db2.gz RCOVNPODGGJZHO-FUHWJXTLSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc([C@@H](C)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000628292737 350481794 /nfs/dbraw/zinc/48/17/94/350481794.db2.gz RCOVNPODGGJZHO-FUHWJXTLSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000629540295 350706564 /nfs/dbraw/zinc/70/65/64/350706564.db2.gz OPWVNNZRUWYXAQ-CPUCHLNUSA-N 2 1 289.467 3.319 20 0 CGADMP c1cc(C[N@H+]2CCCC3(CC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000629586214 350714910 /nfs/dbraw/zinc/71/49/10/350714910.db2.gz MREBXUIGCPYBGQ-UHFFFAOYSA-N 2 1 270.420 3.098 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629411185 350690020 /nfs/dbraw/zinc/69/00/20/350690020.db2.gz IKVJORINYNNMTA-VNHYZAJKSA-N 2 1 278.465 3.070 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1F ZINC000629495769 350697101 /nfs/dbraw/zinc/69/71/01/350697101.db2.gz MGYWXZNBUKVBPX-HNNXBMFYSA-N 2 1 294.389 3.144 20 0 CGADMP CCC[C@H](C)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629516363 350699793 /nfs/dbraw/zinc/69/97/93/350699793.db2.gz BPDPTKHXWPWZBD-LSVZVQIISA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000629659794 350731967 /nfs/dbraw/zinc/73/19/67/350731967.db2.gz HDBPJHXECRZPCQ-PVAVHDDUSA-N 2 1 260.425 3.156 20 0 CGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000631651528 351106418 /nfs/dbraw/zinc/10/64/18/351106418.db2.gz KTUCEEDWIFCKCS-KSSFIOAISA-N 2 1 288.435 3.004 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)[C@@H](C)C1 ZINC000631665117 351109759 /nfs/dbraw/zinc/10/97/59/351109759.db2.gz ONWFUAFRVSJPJQ-ULQDDVLXSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631576419 351074230 /nfs/dbraw/zinc/07/42/30/351074230.db2.gz AECHUKNJKOMSIF-CRAIPNDOSA-N 2 1 287.451 3.169 20 0 CGADMP Cc1cc(C)c(CN2CC[NH2+]Cc3ccccc32)c(C)[nH+]1 ZINC000631822153 351149046 /nfs/dbraw/zinc/14/90/46/351149046.db2.gz URDWOJDRNIQHFN-UHFFFAOYSA-N 2 1 281.403 3.117 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840749 351150463 /nfs/dbraw/zinc/15/04/63/351150463.db2.gz VEFZWRIJQRGWLX-CKYFFXLPSA-N 2 1 270.779 3.067 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840749 351150465 /nfs/dbraw/zinc/15/04/65/351150465.db2.gz VEFZWRIJQRGWLX-CKYFFXLPSA-N 2 1 270.779 3.067 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)[C@H](C)C1 ZINC000631731365 351130178 /nfs/dbraw/zinc/13/01/78/351130178.db2.gz MNEVADAJPXAXOT-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634678346 351564095 /nfs/dbraw/zinc/56/40/95/351564095.db2.gz QCEYVGCWAHHBCF-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634679760 351565662 /nfs/dbraw/zinc/56/56/62/351565662.db2.gz CSHVJWXWSXRYIA-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634679760 351565666 /nfs/dbraw/zinc/56/56/66/351565666.db2.gz CSHVJWXWSXRYIA-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP c1ccc([C@@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)CC23CCC3)cc1 ZINC000634996702 351620966 /nfs/dbraw/zinc/62/09/66/351620966.db2.gz QZSPWNJKAZRVQS-RMXPPQQLSA-N 2 1 282.431 3.008 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)CC23CCC3)cc1 ZINC000634996702 351620967 /nfs/dbraw/zinc/62/09/67/351620967.db2.gz QZSPWNJKAZRVQS-RMXPPQQLSA-N 2 1 282.431 3.008 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999729 351620994 /nfs/dbraw/zinc/62/09/94/351620994.db2.gz YKFDXVJDUVQLMJ-CHWSQXEVSA-N 2 1 272.392 3.022 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(F)c1F ZINC000635009507 351627571 /nfs/dbraw/zinc/62/75/71/351627571.db2.gz HPJPNPGPYFHDPC-NEPJUHHUSA-N 2 1 282.378 3.394 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000122218445 187021610 /nfs/dbraw/zinc/02/16/10/187021610.db2.gz VMPFWVINHVFILC-HOCLYGCPSA-N 2 1 276.424 3.369 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccco1 ZINC000122363862 187028403 /nfs/dbraw/zinc/02/84/03/187028403.db2.gz PMUKLQCBDJKXLC-AWEZNQCLSA-N 2 1 288.391 3.071 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000367699292 234243564 /nfs/dbraw/zinc/24/35/64/234243564.db2.gz HNXKKXRQJQXXFN-XYBNCVKDSA-N 2 1 285.366 3.062 20 0 CGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000368088852 234279520 /nfs/dbraw/zinc/27/95/20/234279520.db2.gz IIDBOTSTTLIIDY-YESZJQIVSA-N 2 1 295.430 3.268 20 0 CGADMP CCOCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000152584736 188030533 /nfs/dbraw/zinc/03/05/33/188030533.db2.gz QIMXYMUUOFZZNF-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000152584736 188030535 /nfs/dbraw/zinc/03/05/35/188030535.db2.gz QIMXYMUUOFZZNF-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000152584736 188030536 /nfs/dbraw/zinc/03/05/36/188030536.db2.gz QIMXYMUUOFZZNF-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000152584736 188030538 /nfs/dbraw/zinc/03/05/38/188030538.db2.gz QIMXYMUUOFZZNF-SJLPKXTDSA-N 2 1 290.451 3.008 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Nc1ccccc1 ZINC000154120576 188124275 /nfs/dbraw/zinc/12/42/75/188124275.db2.gz SHSAOZBTMNQBMO-SZMVWBNQSA-N 2 1 289.467 3.195 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000156660572 188275170 /nfs/dbraw/zinc/27/51/70/188275170.db2.gz CCFJCVIDZGBSOG-CRAIPNDOSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000156660572 188275171 /nfs/dbraw/zinc/27/51/71/188275171.db2.gz CCFJCVIDZGBSOG-CRAIPNDOSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CC2CC2)CC[NH+]1Cc1ccccc1 ZINC000156660572 188275172 /nfs/dbraw/zinc/27/51/72/188275172.db2.gz CCFJCVIDZGBSOG-CRAIPNDOSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC2)CC[NH+]1Cc1ccccc1 ZINC000156660572 188275173 /nfs/dbraw/zinc/27/51/73/188275173.db2.gz CCFJCVIDZGBSOG-CRAIPNDOSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000156660687 188275853 /nfs/dbraw/zinc/27/58/53/188275853.db2.gz CCFJCVIDZGBSOG-MAUKXSAKSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000156660687 188275854 /nfs/dbraw/zinc/27/58/54/188275854.db2.gz CCFJCVIDZGBSOG-MAUKXSAKSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CC2CC2)CC[NH+]1Cc1ccccc1 ZINC000156660687 188275856 /nfs/dbraw/zinc/27/58/56/188275856.db2.gz CCFJCVIDZGBSOG-MAUKXSAKSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC2)CC[NH+]1Cc1ccccc1 ZINC000156660687 188275858 /nfs/dbraw/zinc/27/58/58/188275858.db2.gz CCFJCVIDZGBSOG-MAUKXSAKSA-N 2 1 272.436 3.381 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000156819112 188283056 /nfs/dbraw/zinc/28/30/56/188283056.db2.gz NGJVJOYACUGXJP-LALPHHSUSA-N 2 1 296.842 3.167 20 0 CGADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000156819112 188283057 /nfs/dbraw/zinc/28/30/57/188283057.db2.gz NGJVJOYACUGXJP-LALPHHSUSA-N 2 1 296.842 3.167 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000271795740 191331826 /nfs/dbraw/zinc/33/18/26/191331826.db2.gz HYSRXINLBJIQDY-UHFFFAOYSA-N 2 1 293.414 3.100 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000271888173 191391654 /nfs/dbraw/zinc/39/16/54/191391654.db2.gz REOCPVBAFAUTQG-HNNXBMFYSA-N 2 1 274.433 3.075 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000271873923 191381768 /nfs/dbraw/zinc/38/17/68/191381768.db2.gz YNNAQUMVSULLTB-UHFFFAOYSA-N 2 1 285.218 3.345 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414702974 235455181 /nfs/dbraw/zinc/45/51/81/235455181.db2.gz MBRITJJBOCTXJV-HYVNUMGLSA-N 2 1 290.426 3.078 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1Br ZINC000415058772 235521462 /nfs/dbraw/zinc/52/14/62/235521462.db2.gz WQYZUKVTOMBHSA-ZDUSSCGKSA-N 2 1 299.256 3.221 20 0 CGADMP C[N@H+]1CCC[C@H]1CCN(Cc1ccccc1F)C1CC1 ZINC000124735158 138377703 /nfs/dbraw/zinc/37/77/03/138377703.db2.gz HIGSMWXOEXANRY-HNNXBMFYSA-N 2 1 276.399 3.274 20 0 CGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423084260 235970239 /nfs/dbraw/zinc/97/02/39/235970239.db2.gz HHVOLEZWDXSWJV-XPTSAGLGSA-N 2 1 288.769 3.096 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000423287989 236025215 /nfs/dbraw/zinc/02/52/15/236025215.db2.gz PVBUGVWKRJBXEW-QMMMGPOBSA-N 2 1 261.196 3.381 20 0 CGADMP Clc1cccc([C@H]2CC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)c1 ZINC000423300510 236030925 /nfs/dbraw/zinc/03/09/25/236030925.db2.gz FASJHPNWUMQGEP-IMJJTQAJSA-N 2 1 278.827 3.318 20 0 CGADMP Clc1ccc([C@H]2CC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423305246 236031677 /nfs/dbraw/zinc/03/16/77/236031677.db2.gz QDUUYUCRWCXJMB-BPUTZDHNSA-N 2 1 278.827 3.318 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC1C[NH2+]C1 ZINC000423304730 236032506 /nfs/dbraw/zinc/03/25/06/236032506.db2.gz PAMWEGVDXSPHHB-OAHLLOKOSA-N 2 1 296.842 3.245 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000423370795 236052854 /nfs/dbraw/zinc/05/28/54/236052854.db2.gz PYJOGNITPAQSQT-YJBOKZPZSA-N 2 1 268.404 3.297 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C2CCC2)o1 ZINC000423370938 236052974 /nfs/dbraw/zinc/05/29/74/236052974.db2.gz FBALDNMAHVKCJV-SGIREYDYSA-N 2 1 262.397 3.159 20 0 CGADMP CCOc1ccc([C@H](CC)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OCC ZINC000423453748 236074104 /nfs/dbraw/zinc/07/41/04/236074104.db2.gz YAPAVTLYKWEKDC-IPYPFGDCSA-N 2 1 294.439 3.260 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C2CC2)c1 ZINC000294362282 199012809 /nfs/dbraw/zinc/01/28/09/199012809.db2.gz QKXUUBPYKDSCCK-CYBMUJFWSA-N 2 1 269.392 3.191 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)c(F)c1 ZINC000423503506 236088733 /nfs/dbraw/zinc/08/87/33/236088733.db2.gz FVWXQEXKUJGZTC-BONVTDFDSA-N 2 1 268.351 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC12CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424326274 236150081 /nfs/dbraw/zinc/15/00/81/236150081.db2.gz OTWTWZAYODPTSN-BHYGNILZSA-N 2 1 270.420 3.039 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000424335635 236152306 /nfs/dbraw/zinc/15/23/06/236152306.db2.gz ZZANYUUWVVCSPF-WBMJQRKESA-N 2 1 267.376 3.384 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000428277312 236387623 /nfs/dbraw/zinc/38/76/23/236387623.db2.gz NCJIVICIGZICAX-BMFZPTHFSA-N 2 1 261.413 3.235 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000428277312 236387625 /nfs/dbraw/zinc/38/76/25/236387625.db2.gz NCJIVICIGZICAX-BMFZPTHFSA-N 2 1 261.413 3.235 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297566596 200229183 /nfs/dbraw/zinc/22/91/83/200229183.db2.gz QWFRYRVUMXKDIH-MSOLQXFVSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297566596 200229184 /nfs/dbraw/zinc/22/91/84/200229184.db2.gz QWFRYRVUMXKDIH-MSOLQXFVSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000341938602 216158406 /nfs/dbraw/zinc/15/84/06/216158406.db2.gz DCZGENAFZUKBQV-ZDUSSCGKSA-N 2 1 275.371 3.298 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000177886603 189076270 /nfs/dbraw/zinc/07/62/70/189076270.db2.gz PUKVMEMCOUFHHN-DVOMOZLQSA-N 2 1 296.842 3.037 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000177767623 189068192 /nfs/dbraw/zinc/06/81/92/189068192.db2.gz ZOXSVENEVMKPOJ-QAPCUYQASA-N 2 1 298.430 3.291 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc3ccccc3c2)CC[N@H+]1C ZINC000177767623 189068193 /nfs/dbraw/zinc/06/81/93/189068193.db2.gz ZOXSVENEVMKPOJ-QAPCUYQASA-N 2 1 298.430 3.291 20 0 CGADMP COCCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979340 189083226 /nfs/dbraw/zinc/08/32/26/189083226.db2.gz DESLHLLZEJSDMN-MRXNPFEDSA-N 2 1 292.467 3.432 20 0 CGADMP CC[C@H](COC)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979893 189083279 /nfs/dbraw/zinc/08/32/79/189083279.db2.gz MWXWYQMIHITCBE-QGZVFWFLSA-N 2 1 278.440 3.041 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1OC(F)F ZINC000178115238 189091750 /nfs/dbraw/zinc/09/17/50/189091750.db2.gz QNNZLJJUOQZMGC-CYBMUJFWSA-N 2 1 286.366 3.280 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000178255796 189100708 /nfs/dbraw/zinc/10/07/08/189100708.db2.gz JPLLICHYCAUFDS-LBPRGKRZSA-N 2 1 294.389 3.490 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)o1 ZINC000178707106 189138602 /nfs/dbraw/zinc/13/86/02/189138602.db2.gz MTYJOPSFHQZQJV-YPMHNXCESA-N 2 1 261.369 3.080 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000178707450 189138873 /nfs/dbraw/zinc/13/88/73/189138873.db2.gz SNVOUGSHSGWSBK-GJZGRUSLSA-N 2 1 271.408 3.487 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(O)c1 ZINC000178757741 189143853 /nfs/dbraw/zinc/14/38/53/189143853.db2.gz MWYQFFDTIXZEQO-CQSZACIVSA-N 2 1 288.435 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccs1 ZINC000178785265 189145804 /nfs/dbraw/zinc/14/58/04/189145804.db2.gz RUZVDLYXCXJHNI-GFCCVEGCSA-N 2 1 263.410 3.384 20 0 CGADMP CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240420 189291704 /nfs/dbraw/zinc/29/17/04/189291704.db2.gz OOLXYAUBXAAGPR-ZACQAIPSSA-N 2 1 290.451 3.225 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000449108842 239183426 /nfs/dbraw/zinc/18/34/26/239183426.db2.gz WFKQXNSCDBSZMM-AEFFLSMTSA-N 2 1 296.499 3.292 20 0 CGADMP CCc1cc(NC[C@H]2CCC[N@H+](CC(C)C)C2)nc(C)[nH+]1 ZINC000302085758 201337642 /nfs/dbraw/zinc/33/76/42/201337642.db2.gz KOEQROZACPMZEX-OAHLLOKOSA-N 2 1 290.455 3.127 20 0 CGADMP CCc1cc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)nc(C)[nH+]1 ZINC000302085758 201337644 /nfs/dbraw/zinc/33/76/44/201337644.db2.gz KOEQROZACPMZEX-OAHLLOKOSA-N 2 1 290.455 3.127 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449169666 239218382 /nfs/dbraw/zinc/21/83/82/239218382.db2.gz HIXUHGSXDFNWTF-WQGACYEGSA-N 2 1 282.378 3.141 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2=CCOCC2)cc1 ZINC000449401245 239383829 /nfs/dbraw/zinc/38/38/29/239383829.db2.gz GAYKIQHRCRMUTI-CQSZACIVSA-N 2 1 297.402 3.178 20 0 CGADMP Cc1cccc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000302241494 201417922 /nfs/dbraw/zinc/41/79/22/201417922.db2.gz OCPZZYKZWIMCDS-ZIAGYGMSSA-N 2 1 261.413 3.170 20 0 CGADMP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537977562 288556484 /nfs/dbraw/zinc/55/64/84/288556484.db2.gz MLUYBYXVYRBZGL-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000120777478 370799204 /nfs/dbraw/zinc/79/92/04/370799204.db2.gz YNSIEWFGWGUIFM-OAHLLOKOSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000120777478 370799209 /nfs/dbraw/zinc/79/92/09/370799209.db2.gz YNSIEWFGWGUIFM-OAHLLOKOSA-N 2 1 264.413 3.046 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675485 193102557 /nfs/dbraw/zinc/10/25/57/193102557.db2.gz GOWDRGYWVMYACG-CABCVRRESA-N 2 1 278.415 3.203 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675485 193102559 /nfs/dbraw/zinc/10/25/59/193102559.db2.gz GOWDRGYWVMYACG-CABCVRRESA-N 2 1 278.415 3.203 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675485 193102561 /nfs/dbraw/zinc/10/25/61/193102561.db2.gz GOWDRGYWVMYACG-CABCVRRESA-N 2 1 278.415 3.203 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000459732023 242195620 /nfs/dbraw/zinc/19/56/20/242195620.db2.gz LUQCSPXBOSTBIE-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798399 242239074 /nfs/dbraw/zinc/23/90/74/242239074.db2.gz XOTPNQHNYKPGBA-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000459747025 242209059 /nfs/dbraw/zinc/20/90/59/242209059.db2.gz ZNPGEORZWKSEOJ-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(C2CCC2)CCC1 ZINC000459755393 242212959 /nfs/dbraw/zinc/21/29/59/242212959.db2.gz FIOCAVDVFSHSLO-UHFFFAOYSA-N 2 1 261.413 3.284 20 0 CGADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000459791795 242234585 /nfs/dbraw/zinc/23/45/85/242234585.db2.gz RYROPIWLVFQQNR-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000121607799 370878517 /nfs/dbraw/zinc/87/85/17/370878517.db2.gz RHWIOOWMIPITOB-AHIWAGSCSA-N 2 1 285.391 3.009 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000358398906 299385826 /nfs/dbraw/zinc/38/58/26/299385826.db2.gz JWXAUTKQTZWOPG-VAVSNJLASA-N 2 1 288.435 3.012 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000358398906 299385830 /nfs/dbraw/zinc/38/58/30/299385830.db2.gz JWXAUTKQTZWOPG-VAVSNJLASA-N 2 1 288.435 3.012 20 0 CGADMP Fc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479960293 243132427 /nfs/dbraw/zinc/13/24/27/243132427.db2.gz OLNUTFRYJDEDSI-HDICACEKSA-N 2 1 296.389 3.144 20 0 CGADMP Fc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479960293 243132433 /nfs/dbraw/zinc/13/24/33/243132433.db2.gz OLNUTFRYJDEDSI-HDICACEKSA-N 2 1 296.389 3.144 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1N(C)C ZINC000371333527 299387773 /nfs/dbraw/zinc/38/77/73/299387773.db2.gz DLXBZIRAZMOPBJ-XHSDSOJGSA-N 2 1 287.451 3.030 20 0 CGADMP Fc1ccc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000483110494 243260363 /nfs/dbraw/zinc/26/03/63/243260363.db2.gz NLNPOLAASUFZLZ-QGZVFWFLSA-N 2 1 290.426 3.491 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000483195420 243265993 /nfs/dbraw/zinc/26/59/93/243265993.db2.gz JEJIYDZNMMWRMD-XJKSGUPXSA-N 2 1 278.415 3.033 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000482212751 243220322 /nfs/dbraw/zinc/22/03/22/243220322.db2.gz QNXLCIVZISWNID-RYQLBKOJSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000482212751 243220331 /nfs/dbraw/zinc/22/03/31/243220331.db2.gz QNXLCIVZISWNID-RYQLBKOJSA-N 2 1 272.436 3.082 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000483735314 243294980 /nfs/dbraw/zinc/29/49/80/243294980.db2.gz QKDLJXHITJKJLL-LZQZEXGQSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000483735314 243294985 /nfs/dbraw/zinc/29/49/85/243294985.db2.gz QKDLJXHITJKJLL-LZQZEXGQSA-N 2 1 286.463 3.388 20 0 CGADMP CCCC[C@H](CCC)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484839402 243321411 /nfs/dbraw/zinc/32/14/11/243321411.db2.gz YOOCSTOBGSZUMG-MLHJIOFPSA-N 2 1 296.499 3.340 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C/C=C/c2ccncc2)C1 ZINC000486979876 243391091 /nfs/dbraw/zinc/39/10/91/243391091.db2.gz KHCHSVIYBLMXSC-OPHDVJQKSA-N 2 1 287.451 3.052 20 0 CGADMP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000124205853 370922116 /nfs/dbraw/zinc/92/21/16/370922116.db2.gz AEYOZZNDAGHHMD-OAHLLOKOSA-N 2 1 278.440 3.041 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000124793621 370927451 /nfs/dbraw/zinc/92/74/51/370927451.db2.gz YHEDZHNDMKGMTA-LLVKDONJSA-N 2 1 274.330 3.308 20 0 CGADMP C[C@H](C[NH2+]Cc1ccccc1OC1CCCC1)C[NH+](C)C ZINC000491592269 243807095 /nfs/dbraw/zinc/80/70/95/243807095.db2.gz SXWNGYCWEXTTLN-OAHLLOKOSA-N 2 1 290.451 3.295 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994847 368922341 /nfs/dbraw/zinc/92/23/41/368922341.db2.gz UJYVUFHDIBSGTJ-SFHVURJKSA-N 2 1 266.388 3.025 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649201 369095810 /nfs/dbraw/zinc/09/58/10/369095810.db2.gz HJJDWXMUROFLLT-CVEARBPZSA-N 2 1 272.436 3.438 20 0 CGADMP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2ccccc12 ZINC000041720400 369196149 /nfs/dbraw/zinc/19/61/49/369196149.db2.gz QPSPUFMVHNAOMW-ZDUSSCGKSA-N 2 1 255.365 3.131 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)s1 ZINC000041632154 369195150 /nfs/dbraw/zinc/19/51/50/369195150.db2.gz CRSTXOCVFVWKAT-GFCCVEGCSA-N 2 1 266.454 3.445 20 0 CGADMP C(=C/c1ccncc1)\C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000494933800 244334162 /nfs/dbraw/zinc/33/41/62/244334162.db2.gz VYPIGVGWHGPZKP-YWPBOTNQSA-N 2 1 285.435 3.045 20 0 CGADMP C(=C/c1ccncc1)\C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000494933800 244334168 /nfs/dbraw/zinc/33/41/68/244334168.db2.gz VYPIGVGWHGPZKP-YWPBOTNQSA-N 2 1 285.435 3.045 20 0 CGADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccccc1OC ZINC000049554030 369409749 /nfs/dbraw/zinc/40/97/49/369409749.db2.gz YFVHIKJMGFSNRB-UKRRQHHQSA-N 2 1 264.413 3.076 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000128988311 370970595 /nfs/dbraw/zinc/97/05/95/370970595.db2.gz XUDAELKEWDJOKT-VYDXJSESSA-N 2 1 290.451 3.292 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000128988311 370970597 /nfs/dbraw/zinc/97/05/97/370970597.db2.gz XUDAELKEWDJOKT-VYDXJSESSA-N 2 1 290.451 3.292 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000249953577 296146487 /nfs/dbraw/zinc/14/64/87/296146487.db2.gz IYYZTIBMMBHIAH-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000249953577 296146490 /nfs/dbraw/zinc/14/64/90/296146490.db2.gz IYYZTIBMMBHIAH-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000072630346 369830054 /nfs/dbraw/zinc/83/00/54/369830054.db2.gz JSUAHBHFPCGRES-UHFFFAOYSA-N 2 1 289.467 3.059 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000070074552 369779294 /nfs/dbraw/zinc/77/92/94/369779294.db2.gz UWQCGAOSAQFTNV-NWDGAFQWSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000070074552 369779300 /nfs/dbraw/zinc/77/93/00/369779300.db2.gz UWQCGAOSAQFTNV-NWDGAFQWSA-N 2 1 297.240 3.008 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000070148469 369782077 /nfs/dbraw/zinc/78/20/77/369782077.db2.gz HJAIVAAFYYKYOO-CQSZACIVSA-N 2 1 258.365 3.136 20 0 CGADMP CC(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656606 369864772 /nfs/dbraw/zinc/86/47/72/369864772.db2.gz XBHWQXGCEDPGMM-DOTOQJQBSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656606 369864778 /nfs/dbraw/zinc/86/47/78/369864778.db2.gz XBHWQXGCEDPGMM-DOTOQJQBSA-N 2 1 260.425 3.285 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000093742062 370155288 /nfs/dbraw/zinc/15/52/88/370155288.db2.gz QETQWPADMNHUOA-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000093742062 370155293 /nfs/dbraw/zinc/15/52/93/370155293.db2.gz QETQWPADMNHUOA-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000093742062 370155298 /nfs/dbraw/zinc/15/52/98/370155298.db2.gz QETQWPADMNHUOA-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000093742062 370155299 /nfs/dbraw/zinc/15/52/99/370155299.db2.gz QETQWPADMNHUOA-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000097602880 370248669 /nfs/dbraw/zinc/24/86/69/370248669.db2.gz GKAOKNOQWHSDCA-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129580285 370992782 /nfs/dbraw/zinc/99/27/82/370992782.db2.gz PMPWWEDNFZUPIF-TYNCELHUSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129580285 370992784 /nfs/dbraw/zinc/99/27/84/370992784.db2.gz PMPWWEDNFZUPIF-TYNCELHUSA-N 2 1 266.816 3.473 20 0 CGADMP C[N@@H+](CCSc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841647 370628734 /nfs/dbraw/zinc/62/87/34/370628734.db2.gz ZKNXQMJAXOZFII-HNNXBMFYSA-N 2 1 278.465 3.052 20 0 CGADMP C[NH+](CCSc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841647 370628739 /nfs/dbraw/zinc/62/87/39/370628739.db2.gz ZKNXQMJAXOZFII-HNNXBMFYSA-N 2 1 278.465 3.052 20 0 CGADMP C[NH+](CCSc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841647 370628744 /nfs/dbraw/zinc/62/87/44/370628744.db2.gz ZKNXQMJAXOZFII-HNNXBMFYSA-N 2 1 278.465 3.052 20 0 CGADMP C[N@@H+](CCCOc1ccc(F)cc1)CC[C@H]1CCC[NH+]1C ZINC000119063960 370640615 /nfs/dbraw/zinc/64/06/15/370640615.db2.gz UDFGIFQVWRAGHZ-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCCOc1ccc(F)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000119063960 370640618 /nfs/dbraw/zinc/64/06/18/370640618.db2.gz UDFGIFQVWRAGHZ-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCCOc1ccc(F)cc1)CC[C@H]1CCC[N@H+]1C ZINC000119063960 370640621 /nfs/dbraw/zinc/64/06/21/370640621.db2.gz UDFGIFQVWRAGHZ-MRXNPFEDSA-N 2 1 294.414 3.011 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000119089792 370643892 /nfs/dbraw/zinc/64/38/92/370643892.db2.gz HOXNHAYISLHCHL-SJORKVTESA-N 2 1 264.457 3.444 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130204440 371018323 /nfs/dbraw/zinc/01/83/23/371018323.db2.gz CNLLVMOEPBHVHG-ARFHVFGLSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000132060837 371148883 /nfs/dbraw/zinc/14/88/83/371148883.db2.gz ZCHXSBBZZBSQGB-VXGBXAGGSA-N 2 1 297.240 3.099 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2cccs2)C2CC2)CC[NH2+]1 ZINC000235411034 189828251 /nfs/dbraw/zinc/82/82/51/189828251.db2.gz LARVZZGTHBCSTO-OLZOCXBDSA-N 2 1 264.438 3.101 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000133310234 371242526 /nfs/dbraw/zinc/24/25/26/371242526.db2.gz PSIMXRHHUIFQBS-RDJZCZTQSA-N 2 1 258.409 3.007 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(Br)c1 ZINC000133400461 371249474 /nfs/dbraw/zinc/24/94/74/371249474.db2.gz JOTMVLKBCDJPHN-AWEZNQCLSA-N 2 1 299.256 3.254 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(Br)c1 ZINC000133400244 371249485 /nfs/dbraw/zinc/24/94/85/371249485.db2.gz JOTMVLKBCDJPHN-CQSZACIVSA-N 2 1 299.256 3.254 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000537851762 376205341 /nfs/dbraw/zinc/20/53/41/376205341.db2.gz QKSPKGNXDJXCOB-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000537851762 376205347 /nfs/dbraw/zinc/20/53/47/376205347.db2.gz QKSPKGNXDJXCOB-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000537851762 376205352 /nfs/dbraw/zinc/20/53/52/376205352.db2.gz QKSPKGNXDJXCOB-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000147645612 371519574 /nfs/dbraw/zinc/51/95/74/371519574.db2.gz PNHHXEYQGOFWKW-MRXNPFEDSA-N 2 1 274.452 3.472 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(OC(F)F)c1 ZINC000336832785 213732331 /nfs/dbraw/zinc/73/23/31/213732331.db2.gz BEMXWFJIEQWPRA-UHFFFAOYSA-N 2 1 298.377 3.206 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(OC(F)F)c1 ZINC000336832785 213732333 /nfs/dbraw/zinc/73/23/33/213732333.db2.gz BEMXWFJIEQWPRA-UHFFFAOYSA-N 2 1 298.377 3.206 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000286987969 371586575 /nfs/dbraw/zinc/58/65/75/371586575.db2.gz PFVOJSPBXADQCR-AWEZNQCLSA-N 2 1 275.421 3.336 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000286987969 371586582 /nfs/dbraw/zinc/58/65/82/371586582.db2.gz PFVOJSPBXADQCR-AWEZNQCLSA-N 2 1 275.421 3.336 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000151663792 371621288 /nfs/dbraw/zinc/62/12/88/371621288.db2.gz ISQWOCZAIZITSW-YQQAZPJKSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000151663792 371621293 /nfs/dbraw/zinc/62/12/93/371621293.db2.gz ISQWOCZAIZITSW-YQQAZPJKSA-N 3 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152435957 371696032 /nfs/dbraw/zinc/69/60/32/371696032.db2.gz COBQJAZNNLTSEP-QWHCGFSZSA-N 2 1 290.476 3.372 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc2cccnc12 ZINC000422558545 371749920 /nfs/dbraw/zinc/74/99/20/371749920.db2.gz BDETVWCTTAKELZ-JOQOYGCGSA-N 2 1 297.446 3.348 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422697753 371756746 /nfs/dbraw/zinc/75/67/46/371756746.db2.gz VZTXWSIHEDHIMF-CQSZACIVSA-N 2 1 299.418 3.272 20 0 CGADMP C[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000422713883 371765261 /nfs/dbraw/zinc/76/52/61/371765261.db2.gz KKLPKUWNFZOZSM-QMTHXVAHSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422731461 371772684 /nfs/dbraw/zinc/77/26/84/371772684.db2.gz LVBFHVIUDXDMAZ-HZMBPMFUSA-N 2 1 287.234 3.471 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCC2CCCCC2)CC[N@H+]1C ZINC000153534463 371775016 /nfs/dbraw/zinc/77/50/16/371775016.db2.gz XROACDLEWUSTRO-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CCC[C@H]2[NH3+])c1C ZINC000422741538 371777915 /nfs/dbraw/zinc/77/79/15/371777915.db2.gz OTCCGQDZMVVYBC-CVEARBPZSA-N 2 1 271.408 3.063 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1F ZINC000152995210 371741695 /nfs/dbraw/zinc/74/16/95/371741695.db2.gz BULVSYSISWUODF-NWANDNLSSA-N 2 1 292.398 3.112 20 0 CGADMP CC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422821296 371829141 /nfs/dbraw/zinc/82/91/41/371829141.db2.gz VIWUCWSVMLKBMX-KBMXLJTQSA-N 2 1 294.414 3.103 20 0 CGADMP COc1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)c1 ZINC000422784967 371806187 /nfs/dbraw/zinc/80/61/87/371806187.db2.gz JDDVSNJFMBVSTK-OALUTQOASA-N 2 1 296.414 3.332 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422791628 371810664 /nfs/dbraw/zinc/81/06/64/371810664.db2.gz QLHNDRYVRUWHGK-YCPHGPKFSA-N 2 1 278.465 3.287 20 0 CGADMP Cc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1F ZINC000422797345 371815038 /nfs/dbraw/zinc/81/50/38/371815038.db2.gz MEAUOYXHVOYEEA-RDTXWAMCSA-N 2 1 286.394 3.182 20 0 CGADMP CCC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(F)cc1F ZINC000422875833 371850025 /nfs/dbraw/zinc/85/00/25/371850025.db2.gz PMYQKCHQFLFILA-BMIGLBTASA-N 2 1 268.351 3.004 20 0 CGADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422883714 371854023 /nfs/dbraw/zinc/85/40/23/371854023.db2.gz CUAVRCVGTZRVEL-BLLLJJGKSA-N 2 1 296.842 3.011 20 0 CGADMP CCOc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422883561 371854035 /nfs/dbraw/zinc/85/40/35/371854035.db2.gz VEBPVOTZZPFFEE-DNVCBOLYSA-N 2 1 298.430 3.133 20 0 CGADMP CC[C@H]([NH2+]CCc1ccc(OC)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422888155 371855297 /nfs/dbraw/zinc/85/52/97/371855297.db2.gz MHCLFZXCYLSIAZ-HOTGVXAUSA-N 2 1 296.842 3.011 20 0 CGADMP CCCCOc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422893494 371856717 /nfs/dbraw/zinc/85/67/17/371856717.db2.gz AADLHUBCWOYMEL-QAPCUYQASA-N 2 1 290.451 3.138 20 0 CGADMP CCCCOc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422893492 371857407 /nfs/dbraw/zinc/85/74/07/371857407.db2.gz AADLHUBCWOYMEL-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422921420 371871353 /nfs/dbraw/zinc/87/13/53/371871353.db2.gz PQLQBYNJHXZUPF-DKCNOQQISA-N 2 1 289.206 3.142 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000422922018 371871982 /nfs/dbraw/zinc/87/19/82/371871982.db2.gz PKHIVQTZMRHRSB-HSMVNMDESA-N 2 1 282.378 3.394 20 0 CGADMP CC[C@@H]([NH2+]CCc1cccc(F)c1F)[C@H]1CCCC[NH2+]1 ZINC000422954150 371890950 /nfs/dbraw/zinc/89/09/50/371890950.db2.gz GYFRPEYWTYGAGU-HUUCEWRRSA-N 2 1 282.378 3.018 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422960502 371892302 /nfs/dbraw/zinc/89/23/02/371892302.db2.gz WOLRCYMBJZRHPA-CQSZACIVSA-N 2 1 299.418 3.347 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1coc2ccccc12 ZINC000422979788 371898854 /nfs/dbraw/zinc/89/88/54/371898854.db2.gz KGIBSUFRMGFJRF-KBXCAEBGSA-N 2 1 294.398 3.481 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000422981401 371902216 /nfs/dbraw/zinc/90/22/16/371902216.db2.gz SOPHDQUSBRPKJY-SZMVWBNQSA-N 2 1 289.467 3.243 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CCN1C ZINC000290166901 371919175 /nfs/dbraw/zinc/91/91/75/371919175.db2.gz YAYYDZYPIYUSQM-BCBDKAHJSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@H](N(C)C/C=C/c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000290166901 371919181 /nfs/dbraw/zinc/91/91/81/371919181.db2.gz YAYYDZYPIYUSQM-BCBDKAHJSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@H](N(C)C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000290166901 371919189 /nfs/dbraw/zinc/91/91/89/371919189.db2.gz YAYYDZYPIYUSQM-BCBDKAHJSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000423023229 371920740 /nfs/dbraw/zinc/92/07/40/371920740.db2.gz HAXRJWOCOGKHGB-MNOVXSKESA-N 2 1 268.351 3.059 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000290301348 371958548 /nfs/dbraw/zinc/95/85/48/371958548.db2.gz BHBVAQJDTCHQCU-UHFFFAOYSA-N 2 1 287.407 3.036 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000290301348 371958555 /nfs/dbraw/zinc/95/85/55/371958555.db2.gz BHBVAQJDTCHQCU-UHFFFAOYSA-N 2 1 287.407 3.036 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423094519 371960014 /nfs/dbraw/zinc/96/00/14/371960014.db2.gz KGXRBRXTLNGRIN-MZGVZZPPSA-N 2 1 278.827 3.316 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423101917 371964755 /nfs/dbraw/zinc/96/47/55/371964755.db2.gz WMKUMTJASNOFDH-BBRMVZONSA-N 2 1 278.465 3.071 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cs2)C1 ZINC000290368245 371973794 /nfs/dbraw/zinc/97/37/94/371973794.db2.gz HGOIJMJCYBZBLV-SMDDNHRTSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cs2)C1 ZINC000290368245 371973797 /nfs/dbraw/zinc/97/37/97/371973797.db2.gz HGOIJMJCYBZBLV-SMDDNHRTSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cs2)C1 ZINC000290368245 371973808 /nfs/dbraw/zinc/97/38/08/371973808.db2.gz HGOIJMJCYBZBLV-SMDDNHRTSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cs2)C1 ZINC000290368245 371973817 /nfs/dbraw/zinc/97/38/17/371973817.db2.gz HGOIJMJCYBZBLV-SMDDNHRTSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cs2)C1 ZINC000290368244 371974418 /nfs/dbraw/zinc/97/44/18/371974418.db2.gz HGOIJMJCYBZBLV-RISCZKNCSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cs2)C1 ZINC000290368244 371974426 /nfs/dbraw/zinc/97/44/26/371974426.db2.gz HGOIJMJCYBZBLV-RISCZKNCSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cs2)C1 ZINC000290368244 371974433 /nfs/dbraw/zinc/97/44/33/371974433.db2.gz HGOIJMJCYBZBLV-RISCZKNCSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cs2)C1 ZINC000290368244 371974442 /nfs/dbraw/zinc/97/44/42/371974442.db2.gz HGOIJMJCYBZBLV-RISCZKNCSA-N 2 1 284.856 3.318 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)cs1 ZINC000290394130 371981352 /nfs/dbraw/zinc/98/13/52/371981352.db2.gz IZXFUNNETLFPPS-UHFFFAOYSA-N 2 1 283.828 3.429 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)cs1 ZINC000290394130 371981356 /nfs/dbraw/zinc/98/13/56/371981356.db2.gz IZXFUNNETLFPPS-UHFFFAOYSA-N 2 1 283.828 3.429 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CCC[NH2+]1 ZINC000423129691 371983042 /nfs/dbraw/zinc/98/30/42/371983042.db2.gz XQSYHFFRULWMHC-OWSLCNJRSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423136879 371987286 /nfs/dbraw/zinc/98/72/86/371987286.db2.gz ZRTHQXVYIUBWNH-JGVFFNPUSA-N 2 1 296.283 3.199 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000423162475 371997484 /nfs/dbraw/zinc/99/74/84/371997484.db2.gz PLBGECJXEKRKIJ-OALUTQOASA-N 2 1 295.430 3.281 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423086590 371954555 /nfs/dbraw/zinc/95/45/55/371954555.db2.gz MGLHYJMHVVKZAI-GUDVDZBRSA-N 2 1 296.414 3.499 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187310 372015490 /nfs/dbraw/zinc/01/54/90/372015490.db2.gz MIYNLGSWUKBYAV-JQHSSLGASA-N 2 1 289.467 3.366 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)CC(F)(F)F ZINC000423191071 372016856 /nfs/dbraw/zinc/01/68/56/372016856.db2.gz SKQGLXOGODTKGF-NXEZZACHSA-N 2 1 275.318 3.123 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H]1CCCC[C@H]1C ZINC000423191647 372017726 /nfs/dbraw/zinc/01/77/26/372017726.db2.gz TXBOTKZRTBVGKQ-JFIYKMOQSA-N 2 1 289.467 3.366 20 0 CGADMP CC[N@@H+](Cc1cccc2nccn21)[C@@H](C)c1cccnc1 ZINC000290579061 372020471 /nfs/dbraw/zinc/02/04/71/372020471.db2.gz UJVJXECQJVKMMV-AWEZNQCLSA-N 2 1 280.375 3.312 20 0 CGADMP CCN(Cc1cccc2nccn21)[C@@H](C)c1cccnc1 ZINC000290579061 372020479 /nfs/dbraw/zinc/02/04/79/372020479.db2.gz UJVJXECQJVKMMV-AWEZNQCLSA-N 2 1 280.375 3.312 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423202514 372026548 /nfs/dbraw/zinc/02/65/48/372026548.db2.gz QTLIAZVUXLNTHU-QGZVFWFLSA-N 2 1 272.367 3.114 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000290599268 372026716 /nfs/dbraw/zinc/02/67/16/372026716.db2.gz VUWCYBFZVPTMKT-AWEZNQCLSA-N 2 1 294.389 3.129 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000423205098 372029047 /nfs/dbraw/zinc/02/90/47/372029047.db2.gz VISGZNDYXQXWHT-CQSZACIVSA-N 2 1 261.413 3.092 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ncccc2c1 ZINC000290620654 372030368 /nfs/dbraw/zinc/03/03/68/372030368.db2.gz XGKLURMCQHRHJJ-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ncccc2c1 ZINC000290620654 372030373 /nfs/dbraw/zinc/03/03/73/372030373.db2.gz XGKLURMCQHRHJJ-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2ncccc2c1 ZINC000290620654 372030380 /nfs/dbraw/zinc/03/03/80/372030380.db2.gz XGKLURMCQHRHJJ-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000290620654 372030386 /nfs/dbraw/zinc/03/03/86/372030386.db2.gz XGKLURMCQHRHJJ-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423281307 372047914 /nfs/dbraw/zinc/04/79/14/372047914.db2.gz UEQYBFSTRXUNCA-HZPDHXFCSA-N 2 1 258.409 3.008 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000158252010 372061930 /nfs/dbraw/zinc/06/19/30/372061930.db2.gz SBEHNPJJNWGGKU-RTBURBONSA-N 2 1 288.479 3.494 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCSCc1ccccc1 ZINC000290542273 372012194 /nfs/dbraw/zinc/01/21/94/372012194.db2.gz RHKXCVNVQJVODD-RDJZCZTQSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCSCc1ccccc1 ZINC000290542273 372012201 /nfs/dbraw/zinc/01/22/01/372012201.db2.gz RHKXCVNVQJVODD-RDJZCZTQSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCSCc1ccccc1 ZINC000290542273 372012204 /nfs/dbraw/zinc/01/22/04/372012204.db2.gz RHKXCVNVQJVODD-RDJZCZTQSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCSCc1ccccc1 ZINC000290542273 372012215 /nfs/dbraw/zinc/01/22/15/372012215.db2.gz RHKXCVNVQJVODD-RDJZCZTQSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCOC1 ZINC000159222312 372118261 /nfs/dbraw/zinc/11/82/61/372118261.db2.gz DCAZXMMUHVZBKF-SZMVWBNQSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425357529 372122480 /nfs/dbraw/zinc/12/24/80/372122480.db2.gz PCLNDUYAZGILSR-ZIAGYGMSSA-N 2 1 284.407 3.196 20 0 CGADMP CSc1ccccc1[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423504720 372070415 /nfs/dbraw/zinc/07/04/15/372070415.db2.gz GIFMFKGJWCFPBZ-XJKCOSOUSA-N 2 1 278.465 3.386 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000424296017 372081633 /nfs/dbraw/zinc/08/16/33/372081633.db2.gz RWSYLPRFLWVQCW-QLFBSQMISA-N 2 1 264.800 3.187 20 0 CGADMP CC(C)OCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158870725 372088111 /nfs/dbraw/zinc/08/81/11/372088111.db2.gz COEFKULUWLKLOR-QGZVFWFLSA-N 2 1 296.499 3.388 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3csc4ccccc34)C2)C1 ZINC000429004395 372300769 /nfs/dbraw/zinc/30/07/69/372300769.db2.gz ZHPCTMUBCGTAII-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3csc4ccccc34)C2)C1 ZINC000429004395 372300775 /nfs/dbraw/zinc/30/07/75/372300775.db2.gz ZHPCTMUBCGTAII-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3csc4ccccc34)C2)C1 ZINC000429004395 372300779 /nfs/dbraw/zinc/30/07/79/372300779.db2.gz ZHPCTMUBCGTAII-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429017951 372305040 /nfs/dbraw/zinc/30/50/40/372305040.db2.gz FSTIOMGEIPSXLL-LJQANCHMSA-N 2 1 286.463 3.413 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429017951 372305046 /nfs/dbraw/zinc/30/50/46/372305046.db2.gz FSTIOMGEIPSXLL-LJQANCHMSA-N 2 1 286.463 3.413 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429017951 372305052 /nfs/dbraw/zinc/30/50/52/372305052.db2.gz FSTIOMGEIPSXLL-LJQANCHMSA-N 2 1 286.463 3.413 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000162034758 372368591 /nfs/dbraw/zinc/36/85/91/372368591.db2.gz CWAAXDZAPJUOHP-HOTGVXAUSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000162034758 372368593 /nfs/dbraw/zinc/36/85/93/372368593.db2.gz CWAAXDZAPJUOHP-HOTGVXAUSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1sccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000293574556 372414584 /nfs/dbraw/zinc/41/45/84/372414584.db2.gz NGDTYUMXJZGGAS-UHFFFAOYSA-N 2 1 296.480 3.036 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000163194963 372453906 /nfs/dbraw/zinc/45/39/06/372453906.db2.gz ZPYWBCFGIIIWJR-ZFWWWQNUSA-N 2 1 260.425 3.153 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccncc1 ZINC000163622545 372482287 /nfs/dbraw/zinc/48/22/87/372482287.db2.gz IWZMIYXXBALLPV-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000163347628 372461112 /nfs/dbraw/zinc/46/11/12/372461112.db2.gz FPDJVHSQCBAQHJ-QGZVFWFLSA-N 2 1 284.407 3.122 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000163347628 372461122 /nfs/dbraw/zinc/46/11/22/372461122.db2.gz FPDJVHSQCBAQHJ-QGZVFWFLSA-N 2 1 284.407 3.122 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163644523 372484553 /nfs/dbraw/zinc/48/45/53/372484553.db2.gz POSDLXYMLBCERN-CRAIPNDOSA-N 2 1 290.451 3.186 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163760908 372491532 /nfs/dbraw/zinc/49/15/32/372491532.db2.gz WNGDABVCVIVHFH-FPCVCCKLSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163760908 372491534 /nfs/dbraw/zinc/49/15/34/372491534.db2.gz WNGDABVCVIVHFH-FPCVCCKLSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000163839414 372495034 /nfs/dbraw/zinc/49/50/34/372495034.db2.gz XNYRWQIMCKNGBC-BBRMVZONSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000163839414 372495036 /nfs/dbraw/zinc/49/50/36/372495036.db2.gz XNYRWQIMCKNGBC-BBRMVZONSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2CCC(C)(C)CC2)CCCO1 ZINC000432348006 372564040 /nfs/dbraw/zinc/56/40/40/372564040.db2.gz RAZHWUQOXOXMPC-MRXNPFEDSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000294135668 372591524 /nfs/dbraw/zinc/59/15/24/372591524.db2.gz URZVZUUCUMPGBL-QGZVFWFLSA-N 2 1 276.424 3.070 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c21 ZINC000165240569 372545796 /nfs/dbraw/zinc/54/57/96/372545796.db2.gz OYDJKCODPLSXJE-DAYGRLMNSA-N 2 1 299.462 3.337 20 0 CGADMP CC[N@@H+](Cc1coc2ccccc12)[C@H]1CCC[NH2+]CC1 ZINC000435395320 372758758 /nfs/dbraw/zinc/75/87/58/372758758.db2.gz SEUTYEZRGHKTAZ-HNNXBMFYSA-N 2 1 272.392 3.397 20 0 CGADMP CC[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435393068 372759226 /nfs/dbraw/zinc/75/92/26/372759226.db2.gz YPYKZFQBCVIQGM-QGZVFWFLSA-N 2 1 283.419 3.199 20 0 CGADMP CC[N@@H+](CCc1ccc(C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435611677 372784557 /nfs/dbraw/zinc/78/45/57/372784557.db2.gz BTJVJAZIILLBQJ-KRWDZBQOSA-N 2 1 260.425 3.002 20 0 CGADMP CC[N@@H+](CCCc1cccc(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435630142 372787464 /nfs/dbraw/zinc/78/74/64/372787464.db2.gz ZTSHIWHHXWNSSL-KRWDZBQOSA-N 2 1 290.451 3.092 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000344624553 217253500 /nfs/dbraw/zinc/25/35/00/217253500.db2.gz JDZKOKNIBUVGNW-DNVCBOLYSA-N 2 1 295.430 3.321 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000353487136 220112408 /nfs/dbraw/zinc/11/24/08/220112408.db2.gz MBLBUHMEPWZELF-LSDHHAIUSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000353487136 220112410 /nfs/dbraw/zinc/11/24/10/220112410.db2.gz MBLBUHMEPWZELF-LSDHHAIUSA-N 2 1 270.461 3.044 20 0 CGADMP C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000296026185 372998252 /nfs/dbraw/zinc/99/82/52/372998252.db2.gz MWSIUCRWTTWBJA-INIZCTEOSA-N 2 1 273.355 3.196 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000442711188 373066900 /nfs/dbraw/zinc/06/69/00/373066900.db2.gz DFIQFFBCLREHAJ-PNESKVBLSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@@H]1C[C@@H](N(C)Cc2coc(-c3ccccc3)n2)CC[N@H+]1C ZINC000173527345 373153870 /nfs/dbraw/zinc/15/38/70/373153870.db2.gz YNLNIWRXOOTVKD-PBHICJAKSA-N 2 1 299.418 3.256 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442931267 373129685 /nfs/dbraw/zinc/12/96/85/373129685.db2.gz VXGBMTHGPBPJAK-MRXNPFEDSA-N 2 1 290.451 3.282 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431905 373131242 /nfs/dbraw/zinc/13/12/42/373131242.db2.gz NGFNTXUVHRRWBG-KGLIPLIRSA-N 2 1 296.405 3.390 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC000173748588 373184273 /nfs/dbraw/zinc/18/42/73/373184273.db2.gz DRPXSHYOKYJIBM-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000173748588 373184284 /nfs/dbraw/zinc/18/42/84/373184284.db2.gz DRPXSHYOKYJIBM-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000173748588 373184289 /nfs/dbraw/zinc/18/42/89/373184289.db2.gz DRPXSHYOKYJIBM-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CC(F)(F)F)C1 ZINC000444702300 373246296 /nfs/dbraw/zinc/24/62/96/373246296.db2.gz RDLDAPHQJSTXND-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444702300 373246306 /nfs/dbraw/zinc/24/63/06/373246306.db2.gz RDLDAPHQJSTXND-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444702300 373246316 /nfs/dbraw/zinc/24/63/16/373246316.db2.gz RDLDAPHQJSTXND-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000298304871 373294910 /nfs/dbraw/zinc/29/49/10/373294910.db2.gz HSWVLPRKNLPKDY-MRXNPFEDSA-N 2 1 286.463 3.451 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000300410687 373627246 /nfs/dbraw/zinc/62/72/46/373627246.db2.gz JNTXRSWVTWTASB-NJAFHUGGSA-N 2 1 274.452 3.356 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000300412210 373628522 /nfs/dbraw/zinc/62/85/22/373628522.db2.gz RYJASKXOXVYWSC-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000300412210 373628531 /nfs/dbraw/zinc/62/85/31/373628531.db2.gz RYJASKXOXVYWSC-HZPDHXFCSA-N 2 1 292.467 3.336 20 0 CGADMP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(C)n1)c1ccco1 ZINC000301245614 373708941 /nfs/dbraw/zinc/70/89/41/373708941.db2.gz NWDBQEYHBXALMA-AWEZNQCLSA-N 2 1 288.395 3.181 20 0 CGADMP COCC1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449084636 373661731 /nfs/dbraw/zinc/66/17/31/373661731.db2.gz YLZAWLLTANACSE-WWDZGPRUSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000177849556 373717831 /nfs/dbraw/zinc/71/78/31/373717831.db2.gz NFVJAZQUGAUOAO-WWGRRREGSA-N 2 1 296.842 3.037 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178957595 373821546 /nfs/dbraw/zinc/82/15/46/373821546.db2.gz FBMYDYDPOMFNAS-INIZCTEOSA-N 2 1 278.827 3.477 20 0 CGADMP COCCC[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000178499263 373784182 /nfs/dbraw/zinc/78/41/82/373784182.db2.gz OUWBGJIDWVQYGQ-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000302529841 373889220 /nfs/dbraw/zinc/88/92/20/373889220.db2.gz QYLRIXKXGZMLFQ-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000302529841 373889225 /nfs/dbraw/zinc/88/92/25/373889225.db2.gz QYLRIXKXGZMLFQ-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc[nH+]1 ZINC000302604044 373903809 /nfs/dbraw/zinc/90/38/09/373903809.db2.gz ZGVGJLFGUCQFPS-UHFFFAOYSA-N 2 1 295.430 3.491 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180363246 373995667 /nfs/dbraw/zinc/99/56/67/373995667.db2.gz JWDSZMBANOHWTA-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H](C)C2 ZINC000180507439 374016993 /nfs/dbraw/zinc/01/69/93/374016993.db2.gz DWUMUPNAMPVZPM-RVKKMQEKSA-N 2 1 272.436 3.160 20 0 CGADMP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3nccn32)C12CCC2 ZINC000180749097 374040894 /nfs/dbraw/zinc/04/08/94/374040894.db2.gz CGWJSDXOJFALSU-CVEARBPZSA-N 2 1 299.418 3.114 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450463545 374146791 /nfs/dbraw/zinc/14/67/91/374146791.db2.gz PWYYXGZGDMSNQS-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450463545 374146794 /nfs/dbraw/zinc/14/67/94/374146794.db2.gz PWYYXGZGDMSNQS-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450463545 374146801 /nfs/dbraw/zinc/14/68/01/374146801.db2.gz PWYYXGZGDMSNQS-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCCC1(F)F ZINC000450905330 374183982 /nfs/dbraw/zinc/18/39/82/374183982.db2.gz NSLOZPIYIMQABT-CQSZACIVSA-N 2 1 274.399 3.230 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000309760967 374196601 /nfs/dbraw/zinc/19/66/01/374196601.db2.gz DOVMVQKIVJGUFE-IIDMSEBBSA-N 2 1 272.436 3.285 20 0 CGADMP CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309984219 374206826 /nfs/dbraw/zinc/20/68/26/374206826.db2.gz WPPZCOQZPSVJMZ-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309984219 374206834 /nfs/dbraw/zinc/20/68/34/374206834.db2.gz WPPZCOQZPSVJMZ-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309984219 374206841 /nfs/dbraw/zinc/20/68/41/374206841.db2.gz WPPZCOQZPSVJMZ-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000310228227 374209927 /nfs/dbraw/zinc/20/99/27/374209927.db2.gz IWLMWJFOMGWYCJ-JTQLQIEISA-N 2 1 275.223 3.281 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310968561 374229145 /nfs/dbraw/zinc/22/91/45/374229145.db2.gz GEWXBGXQASUHMY-CYBMUJFWSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[NH+]1CCC([NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000182219659 374239489 /nfs/dbraw/zinc/23/94/89/374239489.db2.gz ROVFFWHYKBXPPB-UHFFFAOYSA-N 2 1 276.399 3.279 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000182496235 374282335 /nfs/dbraw/zinc/28/23/35/374282335.db2.gz VUABJIJGTFIGID-OIISXLGYSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000182496235 374282340 /nfs/dbraw/zinc/28/23/40/374282340.db2.gz VUABJIJGTFIGID-OIISXLGYSA-N 2 1 275.440 3.482 20 0 CGADMP COC1(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000319703291 374347136 /nfs/dbraw/zinc/34/71/36/374347136.db2.gz SEDLDVVBFUQXAY-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CCC1([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000453299595 374401561 /nfs/dbraw/zinc/40/15/61/374401561.db2.gz UYVNUDMBJCWJDM-FGTMMUONSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000183366512 374405637 /nfs/dbraw/zinc/40/56/37/374405637.db2.gz BBAFFZZHANWJNI-APWZRJJASA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000183366512 374405645 /nfs/dbraw/zinc/40/56/45/374405645.db2.gz BBAFFZZHANWJNI-APWZRJJASA-N 2 1 286.463 3.424 20 0 CGADMP C[NH+]1CCC([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000453346542 374437246 /nfs/dbraw/zinc/43/72/46/374437246.db2.gz FNNRBBHLZWADMR-UHFFFAOYSA-N 2 1 278.827 3.099 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C12CCCC2 ZINC000453388590 374473279 /nfs/dbraw/zinc/47/32/79/374473279.db2.gz BPSLYMSYZDFIGJ-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCC[C@H]1C1CC1)C1CC1 ZINC000453410795 374475243 /nfs/dbraw/zinc/47/52/43/374475243.db2.gz VGLBSMJVZIVXBT-IRXDYDNUSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCSCC2)C[C@@H]1c1ccccc1 ZINC000334220495 206211680 /nfs/dbraw/zinc/21/16/80/206211680.db2.gz RRBPIJVOFRPQRM-IAGOWNOFSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCSCC2)C[C@@H]1c1ccccc1 ZINC000334220495 206211684 /nfs/dbraw/zinc/21/16/84/206211684.db2.gz RRBPIJVOFRPQRM-IAGOWNOFSA-N 2 1 290.476 3.307 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cnc2ccsc2c1 ZINC000333560756 374606780 /nfs/dbraw/zinc/60/67/80/374606780.db2.gz KXPSVIKZDXOZIT-RAIGVLPGSA-N 2 1 275.421 3.217 20 0 CGADMP CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccnc1 ZINC000185346113 374643194 /nfs/dbraw/zinc/64/31/94/374643194.db2.gz AURNSJJISCMQLL-YOEHRIQHSA-N 2 1 286.423 3.354 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2coc3ccccc23)CC[N@@H+]1C ZINC000093643987 541982684 /nfs/dbraw/zinc/98/26/84/541982684.db2.gz LCTRMGVWHURMRR-UKRRQHHQSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2coc3ccccc23)CC[N@H+]1C ZINC000093643987 541982687 /nfs/dbraw/zinc/98/26/87/541982687.db2.gz LCTRMGVWHURMRR-UKRRQHHQSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2coc3ccccc23)CC[NH+]1C ZINC000093643987 541982694 /nfs/dbraw/zinc/98/26/94/541982694.db2.gz LCTRMGVWHURMRR-UKRRQHHQSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2coc3ccccc23)CC[NH+]1C ZINC000093643987 541982698 /nfs/dbraw/zinc/98/26/98/541982698.db2.gz LCTRMGVWHURMRR-UKRRQHHQSA-N 2 1 272.392 3.347 20 0 CGADMP CC(C)OCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666674 374708168 /nfs/dbraw/zinc/70/81/68/374708168.db2.gz XRSCQMAQZAZVNB-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP COCCCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681265 374714105 /nfs/dbraw/zinc/71/41/05/374714105.db2.gz JEMUYHOFNJYLNJ-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCCCC13CCCC3)C2 ZINC000334423541 374737156 /nfs/dbraw/zinc/73/71/56/374737156.db2.gz FSDYPUIJLANZBR-CJNGLKHVSA-N 2 1 273.424 3.360 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3occc3c2)CC[N@@H+]1C ZINC000289483556 197370413 /nfs/dbraw/zinc/37/04/13/197370413.db2.gz BWZWEZJURFRQBE-CZUORRHYSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3occc3c2)CC[N@H+]1C ZINC000289483556 197370415 /nfs/dbraw/zinc/37/04/15/197370415.db2.gz BWZWEZJURFRQBE-CZUORRHYSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3occc3c2)CC[NH+]1C ZINC000289483556 197370417 /nfs/dbraw/zinc/37/04/17/197370417.db2.gz BWZWEZJURFRQBE-CZUORRHYSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3occc3c2)CC[NH+]1C ZINC000289483556 197370419 /nfs/dbraw/zinc/37/04/19/197370419.db2.gz BWZWEZJURFRQBE-CZUORRHYSA-N 2 1 272.392 3.347 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186319193 374831990 /nfs/dbraw/zinc/83/19/90/374831990.db2.gz ZDQUTVOXYJHTFY-IAGOWNOFSA-N 2 1 293.455 3.155 20 0 CGADMP C[N@@H+](CC1CCC(F)(F)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000459340523 374805386 /nfs/dbraw/zinc/80/53/86/374805386.db2.gz MTEGTKWRAZFLCM-AWEZNQCLSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC1CCC(F)(F)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000459340523 374805391 /nfs/dbraw/zinc/80/53/91/374805391.db2.gz MTEGTKWRAZFLCM-AWEZNQCLSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](CC1CCC(F)(F)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000459340523 374805398 /nfs/dbraw/zinc/80/53/98/374805398.db2.gz MTEGTKWRAZFLCM-AWEZNQCLSA-N 2 1 274.399 3.086 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459449976 374809249 /nfs/dbraw/zinc/80/92/49/374809249.db2.gz NTCSGUUVOXBFSX-HNNXBMFYSA-N 2 1 264.457 3.277 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000094357709 541986653 /nfs/dbraw/zinc/98/66/53/541986653.db2.gz FTEJOAJNCQHGEQ-ZWKOTPCHSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000094357709 541986659 /nfs/dbraw/zinc/98/66/59/541986659.db2.gz FTEJOAJNCQHGEQ-ZWKOTPCHSA-N 2 1 270.420 3.280 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000464789970 374901605 /nfs/dbraw/zinc/90/16/05/374901605.db2.gz HWUNXXPHLJQDOU-GOSISDBHSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000464789970 374901614 /nfs/dbraw/zinc/90/16/14/374901614.db2.gz HWUNXXPHLJQDOU-GOSISDBHSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccc(CC[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000464789970 374901623 /nfs/dbraw/zinc/90/16/23/374901623.db2.gz HWUNXXPHLJQDOU-GOSISDBHSA-N 2 1 274.452 3.065 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000334624595 374917447 /nfs/dbraw/zinc/91/74/47/374917447.db2.gz LBFAQOLPVCFNJU-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000334624595 374917452 /nfs/dbraw/zinc/91/74/52/374917452.db2.gz LBFAQOLPVCFNJU-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000334624595 374917455 /nfs/dbraw/zinc/91/74/55/374917455.db2.gz LBFAQOLPVCFNJU-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP c1ccc(CCC[C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000186859662 374929762 /nfs/dbraw/zinc/92/97/62/374929762.db2.gz PWBLMWFWQFGJAY-LJQANCHMSA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187166604 374982529 /nfs/dbraw/zinc/98/25/29/374982529.db2.gz OQFDEPQEOYNRNF-GJZGRUSLSA-N 2 1 284.513 3.228 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334866786 375041169 /nfs/dbraw/zinc/04/11/69/375041169.db2.gz CJFWQTPOHXKRRU-UKRRQHHQSA-N 2 1 264.438 3.021 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000187818828 375102193 /nfs/dbraw/zinc/10/21/93/375102193.db2.gz DTJPJDJKIJGNAS-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251904746 296226276 /nfs/dbraw/zinc/22/62/76/296226276.db2.gz WSDXGWFPJCARBY-UHIISALHSA-N 2 1 286.341 3.436 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000483142202 375175596 /nfs/dbraw/zinc/17/55/96/375175596.db2.gz USCXVDNDWHJQGN-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[NH+](CCC[NH2+]C/C=C/c1ccncc1)C(C)C ZINC000487289849 375219701 /nfs/dbraw/zinc/21/97/01/375219701.db2.gz ANJWAEIKWCMBJW-FNORWQNLSA-N 2 1 275.440 3.193 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CCC([NH+](C)C)CC3)c2c1 ZINC000335462838 375310032 /nfs/dbraw/zinc/31/00/32/375310032.db2.gz RISVQSPAYJIDOO-UHFFFAOYSA-N 2 1 269.392 3.074 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488451105 375310428 /nfs/dbraw/zinc/31/04/28/375310428.db2.gz UIXWOEBLYUQHHZ-IXDOHACOSA-N 2 1 298.540 3.474 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000335688705 375347378 /nfs/dbraw/zinc/34/73/78/375347378.db2.gz HBRKEJWHIHGRMR-RYUDHWBXSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCSCc2ccccc2)CCN1C ZINC000190052539 375473058 /nfs/dbraw/zinc/47/30/58/375473058.db2.gz IDSFYSZCIFVSOC-NVXWUHKLSA-N 2 1 292.492 3.334 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSCc2ccccc2)CC[N@@H+]1C ZINC000190052539 375473061 /nfs/dbraw/zinc/47/30/61/375473061.db2.gz IDSFYSZCIFVSOC-NVXWUHKLSA-N 2 1 292.492 3.334 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSCc2ccccc2)CC[N@H+]1C ZINC000190052539 375473066 /nfs/dbraw/zinc/47/30/66/375473066.db2.gz IDSFYSZCIFVSOC-NVXWUHKLSA-N 2 1 292.492 3.334 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335830374 375465902 /nfs/dbraw/zinc/46/59/02/375465902.db2.gz JQMZFFIODJOSPZ-JRSKDTKFSA-N 2 1 288.410 3.420 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000335842056 375475412 /nfs/dbraw/zinc/47/54/12/375475412.db2.gz RWZCOSWAAKDKPZ-YPMHNXCESA-N 2 1 260.406 3.070 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000191065328 375572252 /nfs/dbraw/zinc/57/22/52/375572252.db2.gz MZLYILVDBLXZPH-RDJZCZTQSA-N 2 1 264.457 3.252 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC000499548171 375631597 /nfs/dbraw/zinc/63/15/97/375631597.db2.gz KLOUJLFAJIUZOL-XHSDSOJGSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC000499548171 375631603 /nfs/dbraw/zinc/63/16/03/375631603.db2.gz KLOUJLFAJIUZOL-XHSDSOJGSA-N 2 1 254.462 3.331 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC000499548171 375631612 /nfs/dbraw/zinc/63/16/12/375631612.db2.gz KLOUJLFAJIUZOL-XHSDSOJGSA-N 2 1 254.462 3.331 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000191977721 375685672 /nfs/dbraw/zinc/68/56/72/375685672.db2.gz IRMNFTYLIHBXOS-UHFFFAOYSA-N 2 1 281.403 3.102 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125293204 542036653 /nfs/dbraw/zinc/03/66/53/542036653.db2.gz ZYOBTJBXRJEJCT-CQSZACIVSA-N 2 1 285.366 3.104 20 0 CGADMP C[C@H]1CCC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123928420 542030080 /nfs/dbraw/zinc/03/00/80/542030080.db2.gz SWLLRLQAXASWKW-YOEHRIQHSA-N 2 1 272.436 3.343 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ncccc2CC)C1 ZINC000507498915 375708975 /nfs/dbraw/zinc/70/89/75/375708975.db2.gz XKEIYQBPBUFZGC-GJZGRUSLSA-N 2 1 275.440 3.027 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ncccc2CC)C1 ZINC000507498915 375708980 /nfs/dbraw/zinc/70/89/80/375708980.db2.gz XKEIYQBPBUFZGC-GJZGRUSLSA-N 2 1 275.440 3.027 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1CCCF)C1CCCC1 ZINC000510667324 375786512 /nfs/dbraw/zinc/78/65/12/375786512.db2.gz GULFSADKBXCJCS-GDBMZVCRSA-N 2 1 270.436 3.369 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1CCCF)C1CCCC1 ZINC000510667324 375786516 /nfs/dbraw/zinc/78/65/16/375786516.db2.gz GULFSADKBXCJCS-GDBMZVCRSA-N 2 1 270.436 3.369 20 0 CGADMP Cc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000192737772 375783663 /nfs/dbraw/zinc/78/36/63/375783663.db2.gz UJEFDLNCGXEQLX-OAHLLOKOSA-N 2 1 299.393 3.412 20 0 CGADMP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192930330 375804879 /nfs/dbraw/zinc/80/48/79/375804879.db2.gz PVNHWIKZTFRGHP-DOTOQJQBSA-N 2 1 260.425 3.143 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C1CCCC1 ZINC000515413314 375813194 /nfs/dbraw/zinc/81/31/94/375813194.db2.gz GKNCEPROIQMTLB-NJAFHUGGSA-N 2 1 287.451 3.215 20 0 CGADMP FC(F)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336406191 375791208 /nfs/dbraw/zinc/79/12/08/375791208.db2.gz FDIBUJVCQIQLMP-NWINJMCUSA-N 2 1 272.383 3.027 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1ccc(Cl)cc1F)C2 ZINC000193311059 375857168 /nfs/dbraw/zinc/85/71/68/375857168.db2.gz IPYFWTYIIZHQMB-AGUYFDCRSA-N 2 1 282.790 3.194 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193903728 375937856 /nfs/dbraw/zinc/93/78/56/375937856.db2.gz YESSMPITCIETFE-QGZVFWFLSA-N 2 1 292.492 3.241 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000193951504 375943719 /nfs/dbraw/zinc/94/37/19/375943719.db2.gz HRSYLXCPJTUJRF-HZPDHXFCSA-N 2 1 260.425 3.064 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C[C@@H]1C ZINC000534629139 375996265 /nfs/dbraw/zinc/99/62/65/375996265.db2.gz MMQFLFGONIGGOG-BPUTZDHNSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+](Cc1ccnc2ccccc12)C[C@@H]1CCC[NH+](C)C1 ZINC000535078407 376021597 /nfs/dbraw/zinc/02/15/97/376021597.db2.gz YHLLTHACHWNBKM-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccnc2ccccc12)C[C@@H]1CCC[N@H+](C)C1 ZINC000535078407 376021602 /nfs/dbraw/zinc/02/16/02/376021602.db2.gz YHLLTHACHWNBKM-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1ccnc2ccccc12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000535078407 376021606 /nfs/dbraw/zinc/02/16/06/376021606.db2.gz YHLLTHACHWNBKM-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000336903326 376026840 /nfs/dbraw/zinc/02/68/40/376026840.db2.gz VDLAZXBBIRGAGZ-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000535740259 376051257 /nfs/dbraw/zinc/05/12/57/376051257.db2.gz NHZCDNLRMAHFMD-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000535740259 376051261 /nfs/dbraw/zinc/05/12/61/376051261.db2.gz NHZCDNLRMAHFMD-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000336830028 375990470 /nfs/dbraw/zinc/99/04/70/375990470.db2.gz BCNGLLJOUJKRBA-CRAIPNDOSA-N 2 1 272.436 3.082 20 0 CGADMP Cc1c[nH+]ccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000195330607 376097765 /nfs/dbraw/zinc/09/77/65/376097765.db2.gz HKTRFCNVJYWCBS-VMPITWQZSA-N 2 1 293.414 3.225 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536068898 376077588 /nfs/dbraw/zinc/07/75/88/376077588.db2.gz OOVUXXGJXIUFSO-CHWSQXEVSA-N 2 1 273.355 3.110 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536857858 376136456 /nfs/dbraw/zinc/13/64/56/376136456.db2.gz MNUDLFUJGUPQIP-YESZJQIVSA-N 2 1 296.499 3.434 20 0 CGADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000536852109 376137071 /nfs/dbraw/zinc/13/70/71/376137071.db2.gz MGJCLSCJHAIFFI-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337236761 376155535 /nfs/dbraw/zinc/15/55/35/376155535.db2.gz CIZFWTNJPOVIOQ-NUJGCVRESA-N 2 1 289.467 3.428 20 0 CGADMP CCc1ccccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337268712 376180731 /nfs/dbraw/zinc/18/07/31/376180731.db2.gz KVOFORJWGAPITF-UHFFFAOYSA-N 2 1 260.425 3.167 20 0 CGADMP CCc1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337268712 376180734 /nfs/dbraw/zinc/18/07/34/376180734.db2.gz KVOFORJWGAPITF-UHFFFAOYSA-N 2 1 260.425 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000537619488 376182906 /nfs/dbraw/zinc/18/29/06/376182906.db2.gz FUAAJCGOLWXDKH-QXAKKESOSA-N 2 1 286.463 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000537619488 376182918 /nfs/dbraw/zinc/18/29/18/376182918.db2.gz FUAAJCGOLWXDKH-QXAKKESOSA-N 2 1 286.463 3.454 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000537619488 376182928 /nfs/dbraw/zinc/18/29/28/376182928.db2.gz FUAAJCGOLWXDKH-QXAKKESOSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC12CCC2 ZINC000337414277 376219890 /nfs/dbraw/zinc/21/98/90/376219890.db2.gz YFGIGDWCHYIXNE-XUWVNRHRSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC12CCC2 ZINC000337414277 376219901 /nfs/dbraw/zinc/21/99/01/376219901.db2.gz YFGIGDWCHYIXNE-XUWVNRHRSA-N 2 1 264.457 3.275 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221924593 376226393 /nfs/dbraw/zinc/22/63/93/376226393.db2.gz GZTHIHGWSWGXJS-AWEZNQCLSA-N 2 1 264.413 3.076 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221924593 376226398 /nfs/dbraw/zinc/22/63/98/376226398.db2.gz GZTHIHGWSWGXJS-AWEZNQCLSA-N 2 1 264.413 3.076 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000221925032 376226438 /nfs/dbraw/zinc/22/64/38/376226438.db2.gz WXYIDVPWIGYDBS-GOSISDBHSA-N 2 1 290.451 3.393 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000222022461 376227761 /nfs/dbraw/zinc/22/77/61/376227761.db2.gz APIYYRQPOMSGKQ-IKGGRYGDSA-N 2 1 290.838 3.024 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000222022461 376227765 /nfs/dbraw/zinc/22/77/65/376227765.db2.gz APIYYRQPOMSGKQ-IKGGRYGDSA-N 2 1 290.838 3.024 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1(C)C ZINC000538398312 376239043 /nfs/dbraw/zinc/23/90/43/376239043.db2.gz HLYUAUAZFOLHJD-GVDBMIGSSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000539077053 376291657 /nfs/dbraw/zinc/29/16/57/376291657.db2.gz OSTNZBWOJNVIRM-HSMVNMDESA-N 2 1 298.833 3.340 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226436096 376360543 /nfs/dbraw/zinc/36/05/43/376360543.db2.gz HQUAUPTUBINSNR-AWEZNQCLSA-N 2 1 266.816 3.162 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000228287464 376433185 /nfs/dbraw/zinc/43/31/85/376433185.db2.gz OJMHYJDODHGVIT-BLLLJJGKSA-N 2 1 272.392 3.443 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000228287464 376433194 /nfs/dbraw/zinc/43/31/94/376433194.db2.gz OJMHYJDODHGVIT-BLLLJJGKSA-N 2 1 272.392 3.443 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338687101 376480460 /nfs/dbraw/zinc/48/04/60/376480460.db2.gz LGJGEEGJOUZZOZ-ZTFGCOKTSA-N 2 1 283.419 3.363 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)C[C@@H]21 ZINC000229650416 376468003 /nfs/dbraw/zinc/46/80/03/376468003.db2.gz HOULCJKRXPWREY-TUKIKUTGSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)C[C@@H]21 ZINC000229650416 376468005 /nfs/dbraw/zinc/46/80/05/376468005.db2.gz HOULCJKRXPWREY-TUKIKUTGSA-N 2 1 282.790 3.038 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000338677111 376474563 /nfs/dbraw/zinc/47/45/63/376474563.db2.gz YZGRNGFCNCULQD-AWEZNQCLSA-N 2 1 299.393 3.296 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@@H]21 ZINC000231720813 376568547 /nfs/dbraw/zinc/56/85/47/376568547.db2.gz OCIFRPXVTWCEOI-VZJVUDMVSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@@H]21 ZINC000231720813 376568552 /nfs/dbraw/zinc/56/85/52/376568552.db2.gz OCIFRPXVTWCEOI-VZJVUDMVSA-N 2 1 282.790 3.038 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000542702406 376570383 /nfs/dbraw/zinc/57/03/83/376570383.db2.gz VMFZZAAHGHXHDR-ISZGNANSSA-N 2 1 294.389 3.252 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000234306096 376615917 /nfs/dbraw/zinc/61/59/17/376615917.db2.gz FQSQKFNDZJRAIP-KRWDZBQOSA-N 2 1 260.425 3.186 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC000235412150 376639024 /nfs/dbraw/zinc/63/90/24/376639024.db2.gz KCIKUIJCQZRRSR-QKPAOTATSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000235589322 376647039 /nfs/dbraw/zinc/64/70/39/376647039.db2.gz MMQWTSCDVQSNJP-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000235589322 376647044 /nfs/dbraw/zinc/64/70/44/376647044.db2.gz MMQWTSCDVQSNJP-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000235978483 376655324 /nfs/dbraw/zinc/65/53/24/376655324.db2.gz KVVJGHHEBWEBCL-HOTGVXAUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1Cl ZINC000235978483 376655330 /nfs/dbraw/zinc/65/53/30/376655330.db2.gz KVVJGHHEBWEBCL-HOTGVXAUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000235978483 376655338 /nfs/dbraw/zinc/65/53/38/376655338.db2.gz KVVJGHHEBWEBCL-HOTGVXAUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000235978483 376655345 /nfs/dbraw/zinc/65/53/45/376655345.db2.gz KVVJGHHEBWEBCL-HOTGVXAUSA-N 2 1 278.827 3.365 20 0 CGADMP CC[C@@H](C[NH2+]C[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000236982158 376721888 /nfs/dbraw/zinc/72/18/88/376721888.db2.gz PXAXQHPQVVGFBF-RDJZCZTQSA-N 2 1 260.425 3.254 20 0 CGADMP CN(CCc1cccc(F)c1F)CC[C@H]1CCCC[N@H+]1C ZINC000544150661 376709450 /nfs/dbraw/zinc/70/94/50/376709450.db2.gz SXCHKFHAHBMIRO-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1F)CC[C@H]1CCCC[NH+]1C ZINC000544150661 376709453 /nfs/dbraw/zinc/70/94/53/376709453.db2.gz SXCHKFHAHBMIRO-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP C[N@H+](CCc1cccc(F)c1F)CC[C@H]1CCCC[NH+]1C ZINC000544150661 376709459 /nfs/dbraw/zinc/70/94/59/376709459.db2.gz SXCHKFHAHBMIRO-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](CCc1cccc(F)c1F)CC[C@H]1CCCC[N@@H+]1C ZINC000544150661 376709464 /nfs/dbraw/zinc/70/94/64/376709464.db2.gz SXCHKFHAHBMIRO-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](CCc1cccc(F)c1F)CC[C@H]1CCCC[N@H+]1C ZINC000544150661 376709472 /nfs/dbraw/zinc/70/94/72/376709472.db2.gz SXCHKFHAHBMIRO-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cncs2)cc1 ZINC000136315221 542090182 /nfs/dbraw/zinc/09/01/82/542090182.db2.gz AAHZEKKTAICNJM-GFCCVEGCSA-N 2 1 298.415 3.488 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000245225191 376801084 /nfs/dbraw/zinc/80/10/84/376801084.db2.gz PJOZBPVWDOJYQC-YQQAZPJKSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339713886 376820142 /nfs/dbraw/zinc/82/01/42/376820142.db2.gz YKQQKQADGZCDHK-HZPDHXFCSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339713886 376820144 /nfs/dbraw/zinc/82/01/44/376820144.db2.gz YKQQKQADGZCDHK-HZPDHXFCSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339713887 376820433 /nfs/dbraw/zinc/82/04/33/376820433.db2.gz YKQQKQADGZCDHK-JKSUJKDBSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339713887 376820438 /nfs/dbraw/zinc/82/04/38/376820438.db2.gz YKQQKQADGZCDHK-JKSUJKDBSA-N 2 1 275.440 3.482 20 0 CGADMP C[N@H+](CC[NH2+]C[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000159078376 542146002 /nfs/dbraw/zinc/14/60/02/542146002.db2.gz JSSPANMHHZKCCP-HNNXBMFYSA-N 2 1 288.435 3.017 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000159078376 542146006 /nfs/dbraw/zinc/14/60/06/542146006.db2.gz JSSPANMHHZKCCP-HNNXBMFYSA-N 2 1 288.435 3.017 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCc3ccccc32)C1 ZINC000245449839 376817810 /nfs/dbraw/zinc/81/78/10/376817810.db2.gz OBKFDVINGAWUTB-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245449839 376817820 /nfs/dbraw/zinc/81/78/20/376817820.db2.gz OBKFDVINGAWUTB-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245449839 376817830 /nfs/dbraw/zinc/81/78/30/376817830.db2.gz OBKFDVINGAWUTB-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000245504096 376835110 /nfs/dbraw/zinc/83/51/10/376835110.db2.gz JJYTXUAYMMHOQX-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245517314 376840454 /nfs/dbraw/zinc/84/04/54/376840454.db2.gz RIODMDKXVORMBD-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP C1=CC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000245724660 376892162 /nfs/dbraw/zinc/89/21/62/376892162.db2.gz IOSKXMLOJTWTDY-IAGOWNOFSA-N 2 1 262.441 3.151 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000556879725 376896746 /nfs/dbraw/zinc/89/67/46/376896746.db2.gz SMIGVZHPYPBZLK-KBXIAJHMSA-N 2 1 286.410 3.274 20 0 CGADMP CC(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245785892 376907708 /nfs/dbraw/zinc/90/77/08/376907708.db2.gz ZMDMIMWVKPYMCK-BCDXTJNWSA-N 2 1 272.436 3.428 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000246148438 376976655 /nfs/dbraw/zinc/97/66/55/376976655.db2.gz KVRXRZIQGZRNLH-WFASDCNBSA-N 2 1 296.842 3.169 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000246148438 376976659 /nfs/dbraw/zinc/97/66/59/376976659.db2.gz KVRXRZIQGZRNLH-WFASDCNBSA-N 2 1 296.842 3.169 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340175697 376935557 /nfs/dbraw/zinc/93/55/57/376935557.db2.gz GLRCPBKNVXBIBN-OAHLLOKOSA-N 2 1 290.451 3.183 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000246043942 376956560 /nfs/dbraw/zinc/95/65/60/376956560.db2.gz BOHKVIZCHJJIFT-QAPCUYQASA-N 2 1 290.451 3.295 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000246154426 376978903 /nfs/dbraw/zinc/97/89/03/376978903.db2.gz CPXDFWWUEOKDKC-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC000246390195 377021256 /nfs/dbraw/zinc/02/12/56/377021256.db2.gz AXQSUQAFHXRTSV-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246417539 377025819 /nfs/dbraw/zinc/02/58/19/377025819.db2.gz BWHBJRRJHXZJOW-PKOBYXMFSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246417539 377025822 /nfs/dbraw/zinc/02/58/22/377025822.db2.gz BWHBJRRJHXZJOW-PKOBYXMFSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246417539 377025826 /nfs/dbraw/zinc/02/58/26/377025826.db2.gz BWHBJRRJHXZJOW-PKOBYXMFSA-N 2 1 284.447 3.444 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246500405 377043535 /nfs/dbraw/zinc/04/35/35/377043535.db2.gz HPVZKYMPUSMTIM-VKJFTORMSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246500405 377043543 /nfs/dbraw/zinc/04/35/43/377043543.db2.gz HPVZKYMPUSMTIM-VKJFTORMSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246500405 377043553 /nfs/dbraw/zinc/04/35/53/377043553.db2.gz HPVZKYMPUSMTIM-VKJFTORMSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246500405 377043563 /nfs/dbraw/zinc/04/35/63/377043563.db2.gz HPVZKYMPUSMTIM-VKJFTORMSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246500405 377043573 /nfs/dbraw/zinc/04/35/73/377043573.db2.gz HPVZKYMPUSMTIM-VKJFTORMSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246500405 377043585 /nfs/dbraw/zinc/04/35/85/377043585.db2.gz HPVZKYMPUSMTIM-VKJFTORMSA-N 2 1 285.435 3.091 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000246545845 377049422 /nfs/dbraw/zinc/04/94/22/377049422.db2.gz CWKDAXWMLQMVLU-DOTOQJQBSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000246545845 377049435 /nfs/dbraw/zinc/04/94/35/377049435.db2.gz CWKDAXWMLQMVLU-DOTOQJQBSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000246545845 377049449 /nfs/dbraw/zinc/04/94/49/377049449.db2.gz CWKDAXWMLQMVLU-DOTOQJQBSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000246545845 377049457 /nfs/dbraw/zinc/04/94/57/377049457.db2.gz CWKDAXWMLQMVLU-DOTOQJQBSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246302898 377005580 /nfs/dbraw/zinc/00/55/80/377005580.db2.gz DEWRMQJCXDOVDR-BQFCYCMXSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246302898 377005585 /nfs/dbraw/zinc/00/55/85/377005585.db2.gz DEWRMQJCXDOVDR-BQFCYCMXSA-N 2 1 274.452 3.307 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2csc(C(C)C)n2)[C@@H](C)C1 ZINC000246901806 377114158 /nfs/dbraw/zinc/11/41/58/377114158.db2.gz FJTZCECENPLZLH-ZFWWWQNUSA-N 2 1 295.496 3.129 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000340454878 377068021 /nfs/dbraw/zinc/06/80/21/377068021.db2.gz SSSBPILBOPBSFK-YESZJQIVSA-N 2 1 284.403 3.395 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4o3)CC[C@H]21 ZINC000246745658 377080313 /nfs/dbraw/zinc/08/03/13/377080313.db2.gz GXZNSLZIASPEAB-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4o3)CC[C@H]21 ZINC000246745658 377080321 /nfs/dbraw/zinc/08/03/21/377080321.db2.gz GXZNSLZIASPEAB-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)CC[C@H]21 ZINC000246745658 377080327 /nfs/dbraw/zinc/08/03/27/377080327.db2.gz GXZNSLZIASPEAB-NVXWUHKLSA-N 2 1 284.403 3.349 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246830249 377100102 /nfs/dbraw/zinc/10/01/02/377100102.db2.gz BQBJEKZXMRMQNH-MNOVXSKESA-N 2 1 286.341 3.096 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000246830249 377100111 /nfs/dbraw/zinc/10/01/11/377100111.db2.gz BQBJEKZXMRMQNH-MNOVXSKESA-N 2 1 286.341 3.096 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000246996715 377137023 /nfs/dbraw/zinc/13/70/23/377137023.db2.gz KMBGBODYDGQGOU-IEBWSBKVSA-N 2 1 286.463 3.329 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000560364865 377142981 /nfs/dbraw/zinc/14/29/81/377142981.db2.gz NVZHFGJUROREDK-PQEBFOHHSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000560364865 377142991 /nfs/dbraw/zinc/14/29/91/377142991.db2.gz NVZHFGJUROREDK-PQEBFOHHSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000560364865 377143001 /nfs/dbraw/zinc/14/30/01/377143001.db2.gz NVZHFGJUROREDK-PQEBFOHHSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000560364865 377143009 /nfs/dbraw/zinc/14/30/09/377143009.db2.gz NVZHFGJUROREDK-PQEBFOHHSA-N 2 1 264.457 3.251 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247094933 377157378 /nfs/dbraw/zinc/15/73/78/377157378.db2.gz RVZPGELRJNCWOZ-CGTJXYLNSA-N 2 1 274.452 3.470 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247094933 377157390 /nfs/dbraw/zinc/15/73/90/377157390.db2.gz RVZPGELRJNCWOZ-CGTJXYLNSA-N 2 1 274.452 3.470 20 0 CGADMP CCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000247127783 377165041 /nfs/dbraw/zinc/16/50/41/377165041.db2.gz RNUFYLWQENRYRE-YJBOKZPZSA-N 2 1 290.451 3.043 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC)CCCC2)[C@H](C)C1 ZINC000247137657 377168247 /nfs/dbraw/zinc/16/82/47/377168247.db2.gz QSEBWIOLYUANPL-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560702295 377188601 /nfs/dbraw/zinc/18/86/01/377188601.db2.gz RPLVNYVPHUYPKY-OAHLLOKOSA-N 2 1 254.462 3.473 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1C ZINC000561395727 377224770 /nfs/dbraw/zinc/22/47/70/377224770.db2.gz LKDQUCJKGLSCNW-NVXWUHKLSA-N 2 1 290.451 3.084 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000561395727 377224790 /nfs/dbraw/zinc/22/47/90/377224790.db2.gz LKDQUCJKGLSCNW-NVXWUHKLSA-N 2 1 290.451 3.084 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000561395727 377224793 /nfs/dbraw/zinc/22/47/93/377224793.db2.gz LKDQUCJKGLSCNW-NVXWUHKLSA-N 2 1 290.451 3.084 20 0 CGADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247964606 377250284 /nfs/dbraw/zinc/25/02/84/377250284.db2.gz GQWUDPMUHPDBQG-IIAWOOMASA-N 2 1 296.480 3.146 20 0 CGADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247964606 377250292 /nfs/dbraw/zinc/25/02/92/377250292.db2.gz GQWUDPMUHPDBQG-IIAWOOMASA-N 2 1 296.480 3.146 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000561976814 377258701 /nfs/dbraw/zinc/25/87/01/377258701.db2.gz YPGRFLFEGGXBFY-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP CCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000561981970 377262642 /nfs/dbraw/zinc/26/26/42/377262642.db2.gz HPFOCYIHYZYXMV-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000561981970 377262650 /nfs/dbraw/zinc/26/26/50/377262650.db2.gz HPFOCYIHYZYXMV-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000561981970 377262660 /nfs/dbraw/zinc/26/26/60/377262660.db2.gz HPFOCYIHYZYXMV-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000561981970 377262671 /nfs/dbraw/zinc/26/26/71/377262671.db2.gz HPFOCYIHYZYXMV-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000247388483 377200684 /nfs/dbraw/zinc/20/06/84/377200684.db2.gz VMRNZBBFLAHEST-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccccc3Cl)CC[C@H]21 ZINC000248166088 377274683 /nfs/dbraw/zinc/27/46/83/377274683.db2.gz TUARLYIYIKAAKM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccccc3Cl)CC[C@H]21 ZINC000248166088 377274686 /nfs/dbraw/zinc/27/46/86/377274686.db2.gz TUARLYIYIKAAKM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccccc3Cl)CC[C@H]21 ZINC000248166088 377274690 /nfs/dbraw/zinc/27/46/90/377274690.db2.gz TUARLYIYIKAAKM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP FCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248200555 377280210 /nfs/dbraw/zinc/28/02/10/377280210.db2.gz YOFJTUHOJPDPMK-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP FCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248200555 377280218 /nfs/dbraw/zinc/28/02/18/377280218.db2.gz YOFJTUHOJPDPMK-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP FCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248200555 377280226 /nfs/dbraw/zinc/28/02/26/377280226.db2.gz YOFJTUHOJPDPMK-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000248391370 377303140 /nfs/dbraw/zinc/30/31/40/377303140.db2.gz UZNOZBLKDQWAGX-WBVHZDCISA-N 2 1 292.442 3.420 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248391370 377303148 /nfs/dbraw/zinc/30/31/48/377303148.db2.gz UZNOZBLKDQWAGX-WBVHZDCISA-N 2 1 292.442 3.420 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248391370 377303158 /nfs/dbraw/zinc/30/31/58/377303158.db2.gz UZNOZBLKDQWAGX-WBVHZDCISA-N 2 1 292.442 3.420 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248391370 377303168 /nfs/dbraw/zinc/30/31/68/377303168.db2.gz UZNOZBLKDQWAGX-WBVHZDCISA-N 2 1 292.442 3.420 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248391370 377303176 /nfs/dbraw/zinc/30/31/76/377303176.db2.gz UZNOZBLKDQWAGX-WBVHZDCISA-N 2 1 292.442 3.420 20 0 CGADMP FCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248396970 377305780 /nfs/dbraw/zinc/30/57/80/377305780.db2.gz HNRUIYWLNUKCBM-RCCFBDPRSA-N 2 1 290.426 3.236 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000248585223 377357206 /nfs/dbraw/zinc/35/72/06/377357206.db2.gz PUHJIUDCXUXTNG-SJLPKXTDSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)c1cccc(Cl)c1 ZINC000563348856 377447230 /nfs/dbraw/zinc/44/72/30/377447230.db2.gz DDOYNTLUKPBITI-JMSVASOKSA-N 2 1 266.816 3.255 20 0 CGADMP C1=CO[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000249039569 377447918 /nfs/dbraw/zinc/44/79/18/377447918.db2.gz UHIASNKNPIWVBW-ZWKOTPCHSA-N 2 1 292.467 3.267 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248874187 377418115 /nfs/dbraw/zinc/41/81/15/377418115.db2.gz IUZDAWOOUDHXCN-FVPDABNVSA-N 2 1 250.430 3.028 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249074254 377456525 /nfs/dbraw/zinc/45/65/25/377456525.db2.gz KJPLHZCJGKDJFT-FJIDUMEYSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249074254 377456532 /nfs/dbraw/zinc/45/65/32/377456532.db2.gz KJPLHZCJGKDJFT-FJIDUMEYSA-N 2 1 276.468 3.395 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CCCCC1 ZINC000085670891 249015531 /nfs/dbraw/zinc/01/55/31/249015531.db2.gz UOLNWNYAKXBCLE-XHSDSOJGSA-N 2 1 294.483 3.044 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000037643963 249002597 /nfs/dbraw/zinc/00/25/97/249002597.db2.gz PFJLVLHINBCGGQ-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037643963 249002602 /nfs/dbraw/zinc/00/26/02/249002602.db2.gz PFJLVLHINBCGGQ-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166831666 542174831 /nfs/dbraw/zinc/17/48/31/542174831.db2.gz ZDJQNUFTSHJROB-HZPDHXFCSA-N 2 1 290.476 3.433 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166831666 542174835 /nfs/dbraw/zinc/17/48/35/542174835.db2.gz ZDJQNUFTSHJROB-HZPDHXFCSA-N 2 1 290.476 3.433 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000166694589 542174981 /nfs/dbraw/zinc/17/49/81/542174981.db2.gz NNRKQIOCZRNHGM-DLBZAZTESA-N 2 1 297.446 3.235 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)ccn1 ZINC000249836888 377536931 /nfs/dbraw/zinc/53/69/31/377536931.db2.gz FNGJRYAWKMIYTI-DZGCQCFKSA-N 2 1 293.480 3.014 20 0 CGADMP CCSc1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccn1 ZINC000249836888 377536939 /nfs/dbraw/zinc/53/69/39/377536939.db2.gz FNGJRYAWKMIYTI-DZGCQCFKSA-N 2 1 293.480 3.014 20 0 CGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459474939 249151039 /nfs/dbraw/zinc/15/10/39/249151039.db2.gz ZZPDPOGWNWRFKY-WMZOPIPTSA-N 2 1 294.483 3.187 20 0 CGADMP c1ccc(CC[C@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469879268 249161972 /nfs/dbraw/zinc/16/19/72/249161972.db2.gz FJTCCUGLRXMZLR-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000469994642 249166353 /nfs/dbraw/zinc/16/63/53/249166353.db2.gz ZTIVWBVAAKPYCY-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000472470241 249167604 /nfs/dbraw/zinc/16/76/04/249167604.db2.gz MMKBTCQAKLBXHS-IBGZPJMESA-N 2 1 286.463 3.201 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472470241 249167606 /nfs/dbraw/zinc/16/76/06/249167606.db2.gz MMKBTCQAKLBXHS-IBGZPJMESA-N 2 1 286.463 3.201 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472470241 249167608 /nfs/dbraw/zinc/16/76/08/249167608.db2.gz MMKBTCQAKLBXHS-IBGZPJMESA-N 2 1 286.463 3.201 20 0 CGADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250870723 377567397 /nfs/dbraw/zinc/56/73/97/377567397.db2.gz YVMWLOWSJUGABT-ZNMIVQPWSA-N 2 1 288.460 3.092 20 0 CGADMP Cc1cnc(C)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000573815131 377581114 /nfs/dbraw/zinc/58/11/14/377581114.db2.gz MBTNUVOHABROQX-RHSMWYFYSA-N 2 1 296.418 3.168 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000515573835 249216087 /nfs/dbraw/zinc/21/60/87/249216087.db2.gz MGMFIQSELXDWLJ-IBGZPJMESA-N 2 1 286.463 3.459 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000515573835 249216089 /nfs/dbraw/zinc/21/60/89/249216089.db2.gz MGMFIQSELXDWLJ-IBGZPJMESA-N 2 1 286.463 3.459 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000516337318 249232193 /nfs/dbraw/zinc/23/21/93/249232193.db2.gz GECNBHORGPVKAW-NFAWXSAZSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@H](Cc1ccsc1)[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000516337318 249232195 /nfs/dbraw/zinc/23/21/95/249232195.db2.gz GECNBHORGPVKAW-NFAWXSAZSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516337318 249232198 /nfs/dbraw/zinc/23/21/98/249232198.db2.gz GECNBHORGPVKAW-NFAWXSAZSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516337318 249232200 /nfs/dbraw/zinc/23/22/00/249232200.db2.gz GECNBHORGPVKAW-NFAWXSAZSA-N 2 1 266.454 3.094 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000251770484 377597589 /nfs/dbraw/zinc/59/75/89/377597589.db2.gz FANVVYSXIZNYQC-LEOABGAYSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000252132486 377615398 /nfs/dbraw/zinc/61/53/98/377615398.db2.gz LAEJBKBIACCVOW-IKGGRYGDSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252094076 377612742 /nfs/dbraw/zinc/61/27/42/377612742.db2.gz FDODKACUSRZPGF-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252094076 377612748 /nfs/dbraw/zinc/61/27/48/377612748.db2.gz FDODKACUSRZPGF-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252410432 377620657 /nfs/dbraw/zinc/62/06/57/377620657.db2.gz LMDNNZYEXYWRGY-MOTUXRJWSA-N 2 1 250.430 3.170 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674925 377649409 /nfs/dbraw/zinc/64/94/09/377649409.db2.gz VTBWZULORUNNIZ-CABCVRRESA-N 2 1 264.800 3.056 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674925 377649411 /nfs/dbraw/zinc/64/94/11/377649411.db2.gz VTBWZULORUNNIZ-CABCVRRESA-N 2 1 264.800 3.056 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252802762 377665678 /nfs/dbraw/zinc/66/56/78/377665678.db2.gz USYCXNJYWIGCSA-KCYZZUKISA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000574647741 377690142 /nfs/dbraw/zinc/69/01/42/377690142.db2.gz WNIQLNSBBCTJRA-STQMWFEESA-N 2 1 288.366 3.397 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000574647741 377690145 /nfs/dbraw/zinc/69/01/45/377690145.db2.gz WNIQLNSBBCTJRA-STQMWFEESA-N 2 1 288.366 3.397 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574998022 377736686 /nfs/dbraw/zinc/73/66/86/377736686.db2.gz WTWFEQXJFAGYBI-HZMVEIRTSA-N 2 1 282.472 3.187 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574998022 377736701 /nfs/dbraw/zinc/73/67/01/377736701.db2.gz WTWFEQXJFAGYBI-HZMVEIRTSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000574796617 377711352 /nfs/dbraw/zinc/71/13/52/377711352.db2.gz IWKXTXCTFLKMOM-FVQBIDKESA-N 2 1 278.465 3.095 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000574796617 377711361 /nfs/dbraw/zinc/71/13/61/377711361.db2.gz IWKXTXCTFLKMOM-FVQBIDKESA-N 2 1 278.465 3.095 20 0 CGADMP C([C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1)[NH+]1CCCCCC1 ZINC000342717636 377753882 /nfs/dbraw/zinc/75/38/82/377753882.db2.gz ADSLIYOAZYBBKD-MSOLQXFVSA-N 2 1 294.483 3.001 20 0 CGADMP c1ccc(COc2ccccc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000261559653 377818337 /nfs/dbraw/zinc/81/83/37/377818337.db2.gz ZDZNSWGBYGBYCY-UHFFFAOYSA-N 2 1 296.414 3.107 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000261582956 377821046 /nfs/dbraw/zinc/82/10/46/377821046.db2.gz GZKQMDTWCNJHLL-KRWDZBQOSA-N 2 1 254.377 3.011 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261653709 377834263 /nfs/dbraw/zinc/83/42/63/377834263.db2.gz YLZGYHPCYVEACY-FVQBIDKESA-N 2 1 278.827 3.475 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261653709 377834271 /nfs/dbraw/zinc/83/42/71/377834271.db2.gz YLZGYHPCYVEACY-FVQBIDKESA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CCCCC2 ZINC000261648410 377835156 /nfs/dbraw/zinc/83/51/56/377835156.db2.gz AWUPHXBUQADUJL-CVEARBPZSA-N 2 1 264.457 3.278 20 0 CGADMP ClC1(Cl)C[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738882779 572395924 /nfs/dbraw/zinc/39/59/24/572395924.db2.gz VJKVATZPUGSJSE-OLZOCXBDSA-N 2 1 291.266 3.131 20 0 CGADMP ClC1(Cl)C[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738882779 572395931 /nfs/dbraw/zinc/39/59/31/572395931.db2.gz VJKVATZPUGSJSE-OLZOCXBDSA-N 2 1 291.266 3.131 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261911082 377867895 /nfs/dbraw/zinc/86/78/95/377867895.db2.gz YEFOQYKJPLSPQR-CVEARBPZSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261911082 377867904 /nfs/dbraw/zinc/86/79/04/377867904.db2.gz YEFOQYKJPLSPQR-CVEARBPZSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262030697 377880050 /nfs/dbraw/zinc/88/00/50/377880050.db2.gz NZEYASAOPSKMOP-WMZOPIPTSA-N 2 1 272.436 3.092 20 0 CGADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262206652 377890935 /nfs/dbraw/zinc/89/09/35/377890935.db2.gz LBDNFHQFKBNEAK-LJQANCHMSA-N 2 1 286.463 3.331 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261702383 377842467 /nfs/dbraw/zinc/84/24/67/377842467.db2.gz OLFKGEOCCMEGOT-WCUVEOEZSA-N 2 1 298.352 3.436 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCn1ccnc1C ZINC000342863904 377847630 /nfs/dbraw/zinc/84/76/30/377847630.db2.gz KGEFHMOCOSWZCZ-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000342863904 377847635 /nfs/dbraw/zinc/84/76/35/377847635.db2.gz KGEFHMOCOSWZCZ-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000342863904 377847642 /nfs/dbraw/zinc/84/76/42/377847642.db2.gz KGEFHMOCOSWZCZ-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261739332 377848237 /nfs/dbraw/zinc/84/82/37/377848237.db2.gz PAONSEIXXXBKRH-MSOLQXFVSA-N 2 1 298.405 3.308 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)ccc2c1 ZINC000261823934 377857965 /nfs/dbraw/zinc/85/79/65/377857965.db2.gz AXPAQSARJLIAIV-KSSFIOAISA-N 2 1 298.430 3.408 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343609743 378040218 /nfs/dbraw/zinc/04/02/18/378040218.db2.gz HOXRIPQIPQMTSZ-KBPBESRZSA-N 2 1 291.464 3.127 20 0 CGADMP c1nc(C2CCC2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343609743 378040221 /nfs/dbraw/zinc/04/02/21/378040221.db2.gz HOXRIPQIPQMTSZ-KBPBESRZSA-N 2 1 291.464 3.127 20 0 CGADMP Cc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1C ZINC000343625494 378045401 /nfs/dbraw/zinc/04/54/01/378045401.db2.gz RHHCMVXNSSACFV-UHFFFAOYSA-N 2 1 260.425 3.221 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000343643785 378052255 /nfs/dbraw/zinc/05/22/55/378052255.db2.gz ZETPBFDBUVEBJL-GJZGRUSLSA-N 2 1 288.366 3.288 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000343643785 378052257 /nfs/dbraw/zinc/05/22/57/378052257.db2.gz ZETPBFDBUVEBJL-GJZGRUSLSA-N 2 1 288.366 3.288 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000268861655 378133957 /nfs/dbraw/zinc/13/39/57/378133957.db2.gz MRHQHLUHGRKLIX-DYVFJYSZSA-N 2 1 269.392 3.105 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268871264 378136490 /nfs/dbraw/zinc/13/64/90/378136490.db2.gz PASYVITXJLHIHB-CQSZACIVSA-N 2 1 287.407 3.331 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(OC)cc1 ZINC000268776100 378107466 /nfs/dbraw/zinc/10/74/66/378107466.db2.gz BHJAXPSAFAMBMS-KRWDZBQOSA-N 2 1 287.407 3.331 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000268785929 378110296 /nfs/dbraw/zinc/11/02/96/378110296.db2.gz VQWPESNXZAOVAL-RKVPGOIHSA-N 2 1 297.446 3.096 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(CC)c2)C1 ZINC000580082808 378222727 /nfs/dbraw/zinc/22/27/27/378222727.db2.gz UEPNCMVGAWTRCG-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP C[C@H](Nc1cc[nH+]cc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000579419184 378158218 /nfs/dbraw/zinc/15/82/18/378158218.db2.gz FCZJEIQFGXHMFY-LRDDRELGSA-N 2 1 289.810 3.260 20 0 CGADMP COCCC[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000268991620 378167627 /nfs/dbraw/zinc/16/76/27/378167627.db2.gz RJAFWIBRCWHLCY-IRXDYDNUSA-N 2 1 292.467 3.302 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269879951 378276456 /nfs/dbraw/zinc/27/64/56/378276456.db2.gz ROUFIYNKASRHLZ-HNNXBMFYSA-N 2 1 291.345 3.137 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000582094375 378285289 /nfs/dbraw/zinc/28/52/89/378285289.db2.gz KBJHIIRWOYLXOU-OWLYRPNTSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000582094375 378285292 /nfs/dbraw/zinc/28/52/92/378285292.db2.gz KBJHIIRWOYLXOU-OWLYRPNTSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000582094375 378285298 /nfs/dbraw/zinc/28/52/98/378285298.db2.gz KBJHIIRWOYLXOU-OWLYRPNTSA-N 2 1 276.468 3.395 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000580131689 378226127 /nfs/dbraw/zinc/22/61/27/378226127.db2.gz CRWDWDLSAWDKJV-ZIAGYGMSSA-N 2 1 268.470 3.389 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000580131689 378226132 /nfs/dbraw/zinc/22/61/32/378226132.db2.gz CRWDWDLSAWDKJV-ZIAGYGMSSA-N 2 1 268.470 3.389 20 0 CGADMP CCc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000582235734 378296533 /nfs/dbraw/zinc/29/65/33/378296533.db2.gz BIGMFFSYCLYUEU-CYBMUJFWSA-N 2 1 278.465 3.275 20 0 CGADMP C[NH+](C)CCCC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000270874424 378409204 /nfs/dbraw/zinc/40/92/04/378409204.db2.gz CJAJGRUFDHXLHT-UHFFFAOYSA-N 2 1 281.831 3.293 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000270683474 378388139 /nfs/dbraw/zinc/38/81/39/378388139.db2.gz VAFFTEZODQVTPY-XJKSGUPXSA-N 2 1 287.407 3.430 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000270683474 378388146 /nfs/dbraw/zinc/38/81/46/378388146.db2.gz VAFFTEZODQVTPY-XJKSGUPXSA-N 2 1 287.407 3.430 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000271066757 378445811 /nfs/dbraw/zinc/44/58/11/378445811.db2.gz JHNATZKPEJMTTJ-HZPDHXFCSA-N 2 1 275.440 3.387 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000271656056 378501547 /nfs/dbraw/zinc/50/15/47/378501547.db2.gz FZSDUAQYVPULRC-AWEZNQCLSA-N 2 1 287.407 3.330 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000271952746 378528072 /nfs/dbraw/zinc/52/80/72/378528072.db2.gz DYCXYUVXUXGJEW-TXQGORRRSA-N 2 1 284.447 3.323 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000346304904 378538632 /nfs/dbraw/zinc/53/86/32/378538632.db2.gz CMXNUQKBZSSNCG-OAHLLOKOSA-N 2 1 271.408 3.063 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000346304904 378538637 /nfs/dbraw/zinc/53/86/37/378538637.db2.gz CMXNUQKBZSSNCG-OAHLLOKOSA-N 2 1 271.408 3.063 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000346648253 378660969 /nfs/dbraw/zinc/66/09/69/378660969.db2.gz PDEIPAINBYCVKU-DOTOQJQBSA-N 2 1 290.451 3.281 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346652739 378662555 /nfs/dbraw/zinc/66/25/55/378662555.db2.gz HXVHCTLQULUKIY-QWHCGFSZSA-N 2 1 272.392 3.164 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000346688270 378674868 /nfs/dbraw/zinc/67/48/68/378674868.db2.gz XOOJEEUYOUCVAE-CHWSQXEVSA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000346688270 378674881 /nfs/dbraw/zinc/67/48/81/378674881.db2.gz XOOJEEUYOUCVAE-CHWSQXEVSA-N 2 1 298.377 3.074 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000346602854 378642346 /nfs/dbraw/zinc/64/23/46/378642346.db2.gz LWCSCRRLGYANSF-DSJMHWKBSA-N 2 1 263.429 3.242 20 0 CGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CCCC1CCCCC1 ZINC000348019370 378755466 /nfs/dbraw/zinc/75/54/66/378755466.db2.gz XTAABZKMNHGNPR-GOSISDBHSA-N 2 1 296.499 3.173 20 0 CGADMP CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638297806 378760050 /nfs/dbraw/zinc/76/00/50/378760050.db2.gz AIQPFFJVZZKWBQ-RDJZCZTQSA-N 2 1 258.409 3.354 20 0 CGADMP CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638297806 378760053 /nfs/dbraw/zinc/76/00/53/378760053.db2.gz AIQPFFJVZZKWBQ-RDJZCZTQSA-N 2 1 258.409 3.354 20 0 CGADMP COCC1(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCC1 ZINC000638367262 378780492 /nfs/dbraw/zinc/78/04/92/378780492.db2.gz UBGQPGWKDMEVPW-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638408413 378793756 /nfs/dbraw/zinc/79/37/56/378793756.db2.gz AYCVVDHUXQGBRU-INIZCTEOSA-N 2 1 290.451 3.166 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000348111401 378797548 /nfs/dbraw/zinc/79/75/48/378797548.db2.gz AWMDDMWPGCUJQH-GOEBONIOSA-N 2 1 273.424 3.137 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274348433 378817123 /nfs/dbraw/zinc/81/71/23/378817123.db2.gz FSZAUGABOCIEMK-AUCMRZJMSA-N 2 1 272.436 3.285 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)oc4ccccc43)C[C@@H]12 ZINC000346830915 218027920 /nfs/dbraw/zinc/02/79/20/218027920.db2.gz PPTJOZNTFSDQRV-ZKYQVNSYSA-N 2 1 290.794 3.255 20 0 CGADMP CCC1(CC)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000348253925 378866976 /nfs/dbraw/zinc/86/69/76/378866976.db2.gz BCEFUOVYWNDANJ-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP CCC1(CC)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000348253925 378866983 /nfs/dbraw/zinc/86/69/83/378866983.db2.gz BCEFUOVYWNDANJ-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1ccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000638700767 378879689 /nfs/dbraw/zinc/87/96/89/378879689.db2.gz LECUTUOAHDWXLR-AYHJJNSGSA-N 2 1 272.436 3.142 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCC[C@H]1CCO1 ZINC000638854641 378937195 /nfs/dbraw/zinc/93/71/95/378937195.db2.gz SIROPRKSOYRZMG-SFHVURJKSA-N 2 1 290.451 3.186 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1C ZINC000346985498 218079611 /nfs/dbraw/zinc/07/96/11/218079611.db2.gz OTPDVJKHUJWYGX-SJLPKXTDSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)[C@H]1C[NH3+] ZINC000346997168 218085100 /nfs/dbraw/zinc/08/51/00/218085100.db2.gz CKSISBVERXPLIP-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@H]1C[NH3+] ZINC000346997168 218085102 /nfs/dbraw/zinc/08/51/02/218085102.db2.gz CKSISBVERXPLIP-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000347037774 218100900 /nfs/dbraw/zinc/10/09/00/218100900.db2.gz HSXSVHWPBBTGSM-KDOFPFPSSA-N 2 1 288.435 3.177 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347041530 218102131 /nfs/dbraw/zinc/10/21/31/218102131.db2.gz LADNLNUPIOBVRR-WFASDCNBSA-N 2 1 266.816 3.126 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347041530 218102133 /nfs/dbraw/zinc/10/21/33/218102133.db2.gz LADNLNUPIOBVRR-WFASDCNBSA-N 2 1 266.816 3.126 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@@H]1[NH3+] ZINC000347043450 218102351 /nfs/dbraw/zinc/10/23/51/218102351.db2.gz MVPYOHYMNONUEE-LRDDRELGSA-N 2 1 288.366 3.255 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@@H]1[NH3+] ZINC000347043450 218102353 /nfs/dbraw/zinc/10/23/53/218102353.db2.gz MVPYOHYMNONUEE-LRDDRELGSA-N 2 1 288.366 3.255 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000275640129 378958668 /nfs/dbraw/zinc/95/86/68/378958668.db2.gz VEPFJOBFSDABSF-NXHRZFHOSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1[NH3+] ZINC000347059491 218108247 /nfs/dbraw/zinc/10/82/47/218108247.db2.gz XERDJPRNMRBOCX-YOEHRIQHSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1[NH3+] ZINC000347059491 218108249 /nfs/dbraw/zinc/10/82/49/218108249.db2.gz XERDJPRNMRBOCX-YOEHRIQHSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638971934 378963159 /nfs/dbraw/zinc/96/31/59/378963159.db2.gz RTTHSUFWBFLLRY-QPSCCSFWSA-N 2 1 282.497 3.123 20 0 CGADMP CCC[N@@H+](C/C=C\c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000347088509 218117566 /nfs/dbraw/zinc/11/75/66/218117566.db2.gz FFTITNYULOIMEU-ARJAWSKDSA-N 2 1 294.389 3.442 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347110198 218125101 /nfs/dbraw/zinc/12/51/01/218125101.db2.gz PDXLCFQFCXFARU-LLVKDONJSA-N 2 1 278.783 3.257 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347110198 218125102 /nfs/dbraw/zinc/12/51/02/218125102.db2.gz PDXLCFQFCXFARU-LLVKDONJSA-N 2 1 278.783 3.257 20 0 CGADMP CCC[N@@H+](Cc1cccc(OCC)c1)C1CC[NH2+]CC1 ZINC000347119167 218127396 /nfs/dbraw/zinc/12/73/96/218127396.db2.gz YNEKXFIJVVQDJO-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)CC[N@H+]1C ZINC000370619736 379039774 /nfs/dbraw/zinc/03/97/74/379039774.db2.gz FIWIHXCGOVMAEG-DNVCBOLYSA-N 2 1 295.430 3.321 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC(C)(C)Oc2ccccc2)CC1 ZINC000639106184 379030960 /nfs/dbraw/zinc/03/09/60/379030960.db2.gz WUTACCZTKBUBJL-MRXNPFEDSA-N 2 1 290.451 3.260 20 0 CGADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000277069316 379057473 /nfs/dbraw/zinc/05/74/73/379057473.db2.gz KOMHSRHDTLKRQM-HNNXBMFYSA-N 2 1 286.423 3.314 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000277069316 379057494 /nfs/dbraw/zinc/05/74/94/379057494.db2.gz KOMHSRHDTLKRQM-HNNXBMFYSA-N 2 1 286.423 3.314 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccncc2)CC1 ZINC000277225479 379104050 /nfs/dbraw/zinc/10/40/50/379104050.db2.gz OGPVRVSBOHMSBM-GOSISDBHSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)CC1 ZINC000277321165 379131705 /nfs/dbraw/zinc/13/17/05/379131705.db2.gz VCDFHEGTEPCYFC-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000278901562 194204319 /nfs/dbraw/zinc/20/43/19/194204319.db2.gz FVKSOZAHHMGKLB-UGSOOPFHSA-N 2 1 299.393 3.326 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C)c(F)c1 ZINC000349418578 379277446 /nfs/dbraw/zinc/27/74/46/379277446.db2.gz OGCJDSHUDHAHIP-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c(F)c1 ZINC000349418578 379277456 /nfs/dbraw/zinc/27/74/56/379277456.db2.gz OGCJDSHUDHAHIP-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC)cc1 ZINC000278925226 194215549 /nfs/dbraw/zinc/21/55/49/194215549.db2.gz IINQMKAJVJQPDT-PBHICJAKSA-N 2 1 299.418 3.195 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](CC=C(C)C)CC1 ZINC000639375924 379332813 /nfs/dbraw/zinc/33/28/13/379332813.db2.gz LCOKFJSSZKEBKH-UHFFFAOYSA-N 2 1 250.430 3.293 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000349816140 379396581 /nfs/dbraw/zinc/39/65/81/379396581.db2.gz KHZZPAOLKYISEM-HNNXBMFYSA-N 2 1 250.430 3.147 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000349824616 379403902 /nfs/dbraw/zinc/40/39/02/379403902.db2.gz ZXEJITJBZLMPNC-LBPRGKRZSA-N 2 1 282.453 3.282 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCOc2cccc(Cl)c2)CC1 ZINC000347636747 218300941 /nfs/dbraw/zinc/30/09/41/218300941.db2.gz BESUQVRQWSMQOZ-UHFFFAOYSA-N 2 1 296.842 3.135 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCOc2cccc(Cl)c2)CC1 ZINC000347636747 218300945 /nfs/dbraw/zinc/30/09/45/218300945.db2.gz BESUQVRQWSMQOZ-UHFFFAOYSA-N 2 1 296.842 3.135 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682617 379545163 /nfs/dbraw/zinc/54/51/63/379545163.db2.gz ZQIDJAPRASRZFU-INIZCTEOSA-N 2 1 281.403 3.355 20 0 CGADMP CC(C)C[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684800 379545581 /nfs/dbraw/zinc/54/55/81/379545581.db2.gz ZHDQCGNFSLUTJF-OAHLLOKOSA-N 2 1 261.413 3.028 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCCOc2ccccc2)CC1 ZINC000640017381 379686879 /nfs/dbraw/zinc/68/68/79/379686879.db2.gz FVNJXNLJYYRHOB-UHFFFAOYSA-N 2 1 290.451 3.262 20 0 CGADMP CCC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000347730115 218336287 /nfs/dbraw/zinc/33/62/87/218336287.db2.gz CCLRWDAYDYZMSK-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000347730115 218336288 /nfs/dbraw/zinc/33/62/88/218336288.db2.gz CCLRWDAYDYZMSK-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347730115 218336291 /nfs/dbraw/zinc/33/62/91/218336291.db2.gz CCLRWDAYDYZMSK-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000347730115 218336294 /nfs/dbraw/zinc/33/62/94/218336294.db2.gz CCLRWDAYDYZMSK-IRXDYDNUSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1C ZINC000352246486 379756589 /nfs/dbraw/zinc/75/65/89/379756589.db2.gz QFIJSOAVKPZKBT-BZPMIXESSA-N 2 1 281.469 3.119 20 0 CGADMP CCCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352341420 379772030 /nfs/dbraw/zinc/77/20/30/379772030.db2.gz GZQZGPBCKXISFZ-UHFFFAOYSA-N 2 1 262.397 3.423 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000352541385 379848428 /nfs/dbraw/zinc/84/84/28/379848428.db2.gz XGIKVPWSQPLJHI-GOSISDBHSA-N 2 1 272.436 3.187 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352546207 379852946 /nfs/dbraw/zinc/85/29/46/379852946.db2.gz RFQXUVQKQULOQY-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352546207 379852954 /nfs/dbraw/zinc/85/29/54/379852954.db2.gz RFQXUVQKQULOQY-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ncc(C2CC2)o1 ZINC000640533176 379819996 /nfs/dbraw/zinc/81/99/96/379819996.db2.gz OHIXMXWXSUEPIA-UHFFFAOYSA-N 2 1 291.439 3.250 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ncc(C2CC2)o1 ZINC000640533176 379820001 /nfs/dbraw/zinc/82/00/01/379820001.db2.gz OHIXMXWXSUEPIA-UHFFFAOYSA-N 2 1 291.439 3.250 20 0 CGADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392214197 379911453 /nfs/dbraw/zinc/91/14/53/379911453.db2.gz UGDRHWZHYKGDSF-HZPDHXFCSA-N 2 1 250.430 3.053 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282427226 379918363 /nfs/dbraw/zinc/91/83/63/379918363.db2.gz HDHLRMCCNVUFEQ-MRXNPFEDSA-N 2 1 260.425 3.287 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282427226 379918368 /nfs/dbraw/zinc/91/83/68/379918368.db2.gz HDHLRMCCNVUFEQ-MRXNPFEDSA-N 2 1 260.425 3.287 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000382124909 379871281 /nfs/dbraw/zinc/87/12/81/379871281.db2.gz NLAWLBFAVFFNIE-TZMCWYRMSA-N 2 1 252.427 3.131 20 0 CGADMP CSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282475519 379928223 /nfs/dbraw/zinc/92/82/23/379928223.db2.gz LCFWASXKORXFKL-INIZCTEOSA-N 2 1 292.492 3.240 20 0 CGADMP CSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282475519 379928228 /nfs/dbraw/zinc/92/82/28/379928228.db2.gz LCFWASXKORXFKL-INIZCTEOSA-N 2 1 292.492 3.240 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000282484771 379931233 /nfs/dbraw/zinc/93/12/33/379931233.db2.gz HIUZFLCLFMFHKJ-WMLDXEAASA-N 2 1 285.435 3.030 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C)CCCCC2)s1 ZINC000352757583 379941816 /nfs/dbraw/zinc/94/18/16/379941816.db2.gz GAAYANTVHUEDTB-UHFFFAOYSA-N 2 1 281.469 3.265 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352782241 379956216 /nfs/dbraw/zinc/95/62/16/379956216.db2.gz VAVPXSMTQXIONO-RQOWECAXSA-N 2 1 291.345 3.163 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410377997 380089946 /nfs/dbraw/zinc/08/99/46/380089946.db2.gz JSFFHZUPXAQGRT-CVEARBPZSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]([NH2+]CCc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347913616 218397885 /nfs/dbraw/zinc/39/78/85/218397885.db2.gz APBKEVKQVPBPQT-FUHWJXTLSA-N 2 1 298.430 3.322 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC(C)C ZINC000410406793 380093228 /nfs/dbraw/zinc/09/32/28/380093228.db2.gz WCFKPUMFTJLMNX-OAGGEKHMSA-N 2 1 252.446 3.227 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC=C(c2ccccc2)C1 ZINC000283914396 380105653 /nfs/dbraw/zinc/10/56/53/380105653.db2.gz AIUJLNMQJIATPS-GOSISDBHSA-N 2 1 270.420 3.260 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000283914396 380105662 /nfs/dbraw/zinc/10/56/62/380105662.db2.gz AIUJLNMQJIATPS-GOSISDBHSA-N 2 1 270.420 3.260 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000283914396 380105666 /nfs/dbraw/zinc/10/56/66/380105666.db2.gz AIUJLNMQJIATPS-GOSISDBHSA-N 2 1 270.420 3.260 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000414191978 380200013 /nfs/dbraw/zinc/20/00/13/380200013.db2.gz SQJNDUHNTKHWBY-KGLIPLIRSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000353906956 380228443 /nfs/dbraw/zinc/22/84/43/380228443.db2.gz BYZJSNYQEOSCBB-GJZGRUSLSA-N 2 1 269.392 3.493 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000643511234 380331826 /nfs/dbraw/zinc/33/18/26/380331826.db2.gz XSLMBMDDYCZPNT-CHWSQXEVSA-N 2 1 254.443 3.032 20 0 CGADMP CCC1(C)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000348065677 218443318 /nfs/dbraw/zinc/44/33/18/218443318.db2.gz CAJVODYWWGQOCT-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)o1 ZINC000643547959 380363686 /nfs/dbraw/zinc/36/36/86/380363686.db2.gz LGJYZJSXHBQTCP-TZMCWYRMSA-N 2 1 262.397 3.222 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC000414694690 380377982 /nfs/dbraw/zinc/37/79/82/380377982.db2.gz NLQUIQMHMHYGDT-IIAWOOMASA-N 2 1 276.399 3.003 20 0 CGADMP CC(C)[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000414767069 380396849 /nfs/dbraw/zinc/39/68/49/380396849.db2.gz JFRRQMZMFIAYBJ-CEXWTWQISA-N 2 1 286.463 3.358 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC000414756407 380392744 /nfs/dbraw/zinc/39/27/44/380392744.db2.gz QRGBXQGIBLEIBF-VXGBXAGGSA-N 2 1 284.806 3.299 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000643526297 380342272 /nfs/dbraw/zinc/34/22/72/380342272.db2.gz XVUVFYHSMGGLPY-ZIAGYGMSSA-N 2 1 254.377 3.351 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000643527045 380343245 /nfs/dbraw/zinc/34/32/45/380343245.db2.gz CGCSVLJUWVLKKB-SJKOYZFVSA-N 2 1 290.357 3.185 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)C1CCCC1 ZINC000643543503 380357411 /nfs/dbraw/zinc/35/74/11/380357411.db2.gz POUMQNYNXZFTGQ-MSOLQXFVSA-N 2 1 272.436 3.041 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000354183322 380357477 /nfs/dbraw/zinc/35/74/77/380357477.db2.gz ZJSGYCRMUGKKHW-LJISPDSOSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000354183322 380357483 /nfs/dbraw/zinc/35/74/83/380357483.db2.gz ZJSGYCRMUGKKHW-LJISPDSOSA-N 2 1 252.446 3.131 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414665021 380358125 /nfs/dbraw/zinc/35/81/25/380358125.db2.gz DGMKZBRUVOXDLA-ZDUSSCGKSA-N 2 1 286.341 3.055 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414662017 380358496 /nfs/dbraw/zinc/35/84/96/380358496.db2.gz PLKFGYJLDWSABE-WCQYABFASA-N 2 1 286.341 3.183 20 0 CGADMP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546167 380359525 /nfs/dbraw/zinc/35/95/25/380359525.db2.gz JXINZNJALQJGIE-GOEBONIOSA-N 2 1 286.419 3.165 20 0 CGADMP Fc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771767 380397294 /nfs/dbraw/zinc/39/72/94/380397294.db2.gz AMRHQRGEAKPIOL-QWHCGFSZSA-N 2 1 296.817 3.301 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000354199147 380362175 /nfs/dbraw/zinc/36/21/75/380362175.db2.gz NPOSPRRGUQWGEJ-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000354199147 380362180 /nfs/dbraw/zinc/36/21/80/380362180.db2.gz NPOSPRRGUQWGEJ-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414819304 380430577 /nfs/dbraw/zinc/43/05/77/380430577.db2.gz YKLBISFZIGJRLM-CJNGLKHVSA-N 2 1 266.404 3.254 20 0 CGADMP Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)o1 ZINC000414826773 380435927 /nfs/dbraw/zinc/43/59/27/380435927.db2.gz JNDMTLOKQFBNDG-CYBMUJFWSA-N 2 1 288.366 3.175 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc2cccnc21)C1CCCCC1 ZINC000414829983 380438301 /nfs/dbraw/zinc/43/83/01/380438301.db2.gz AGMOWTFHCLAISW-KRWDZBQOSA-N 2 1 283.419 3.232 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000414855619 380458209 /nfs/dbraw/zinc/45/82/09/380458209.db2.gz XJVBOZJXRVDWGO-CYBMUJFWSA-N 2 1 262.422 3.364 20 0 CGADMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C1CCCCC1 ZINC000414851854 380453797 /nfs/dbraw/zinc/45/37/97/380453797.db2.gz PWZYDVQNXDBGDY-PFWMLDTASA-N 2 1 294.389 3.475 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414851078 380453853 /nfs/dbraw/zinc/45/38/53/380453853.db2.gz SYOPVGDIMZFTCF-FZMZJTMJSA-N 2 1 286.341 3.151 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@H]1CCC[NH2+]C1 ZINC000414854624 380455247 /nfs/dbraw/zinc/45/52/47/380455247.db2.gz MBGQSAMROMEKCL-ZBFHGGJFSA-N 2 1 284.403 3.424 20 0 CGADMP Clc1ccsc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772796 380398479 /nfs/dbraw/zinc/39/84/79/380398479.db2.gz CMJFDPHOGWQIET-NEPJUHHUSA-N 2 1 284.856 3.223 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414780925 380401455 /nfs/dbraw/zinc/40/14/55/380401455.db2.gz MDOKVWWUNCPCKB-KGLIPLIRSA-N 2 1 293.480 3.088 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414800900 380413030 /nfs/dbraw/zinc/41/30/30/380413030.db2.gz GGDUGNDHNQEUTH-CZUORRHYSA-N 2 1 260.425 3.070 20 0 CGADMP CCOc1ccc(C[NH2+]CC([NH3+])(CC)CC)cc1OCC ZINC000414803646 380416367 /nfs/dbraw/zinc/41/63/67/380416367.db2.gz MGNILOVWCFCPRX-UHFFFAOYSA-N 2 1 294.439 3.091 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000414808690 380420943 /nfs/dbraw/zinc/42/09/43/380420943.db2.gz FSGOXRVFOGPNBH-HNNXBMFYSA-N 2 1 264.413 3.081 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000414919918 380490339 /nfs/dbraw/zinc/49/03/39/380490339.db2.gz WCFMJHGWAUOECD-GFCCVEGCSA-N 2 1 273.207 3.225 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(C)cc1 ZINC000268778959 190431131 /nfs/dbraw/zinc/43/11/31/190431131.db2.gz BPXHQHZNGGRMLO-INIZCTEOSA-N 2 1 257.381 3.241 20 0 CGADMP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414932112 380494358 /nfs/dbraw/zinc/49/43/58/380494358.db2.gz VLSSHGQHAWBYRH-XNRPHZJLSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H](C)C[NH+]2CCCCCC2)cn1 ZINC000354647384 380513250 /nfs/dbraw/zinc/51/32/50/380513250.db2.gz LAGSWUAVKMNWQW-QGZVFWFLSA-N 2 1 289.467 3.177 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414864515 380463571 /nfs/dbraw/zinc/46/35/71/380463571.db2.gz ZJJMCIPUBKGSDJ-CSKARUKUSA-N 2 1 288.435 3.350 20 0 CGADMP C[C@H](C[NH3+])C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414875087 380470604 /nfs/dbraw/zinc/47/06/04/380470604.db2.gz JHDPAWQVJPSDAX-MRVPVSSYSA-N 2 1 280.721 3.043 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414875088 380470939 /nfs/dbraw/zinc/47/09/39/380470939.db2.gz JHDPAWQVJPSDAX-QMMMGPOBSA-N 2 1 280.721 3.043 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000414895750 380477932 /nfs/dbraw/zinc/47/79/32/380477932.db2.gz ZHKGYRQCUPPORF-GFCCVEGCSA-N 2 1 292.732 3.186 20 0 CGADMP CC[C@H]1CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000644843476 380529892 /nfs/dbraw/zinc/52/98/92/380529892.db2.gz RCQVERKSODPCGQ-KRWDZBQOSA-N 2 1 288.435 3.146 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314357 380591269 /nfs/dbraw/zinc/59/12/69/380591269.db2.gz YXECWNBBHHWVCO-AEGPPILISA-N 2 1 276.449 3.092 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417333769 380596865 /nfs/dbraw/zinc/59/68/65/380596865.db2.gz ZAPSXKPVYPQOBS-VHDGCEQUSA-N 2 1 278.465 3.314 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC12CC2 ZINC000417359427 380607047 /nfs/dbraw/zinc/60/70/47/380607047.db2.gz IPYAIZKWDHEFNG-KBAYOESNSA-N 2 1 284.447 3.287 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000348262077 218533815 /nfs/dbraw/zinc/53/38/15/218533815.db2.gz QFEMSHKDIASHJQ-NJAFHUGGSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1cnccc1CC[N@H+](C)Cc1ccc(F)cc1F ZINC000645775794 380726557 /nfs/dbraw/zinc/72/65/57/380726557.db2.gz PFNFOZCQJVUPOO-UHFFFAOYSA-N 2 1 276.330 3.343 20 0 CGADMP Cc1cnccc1CCN(C)Cc1ccc(F)cc1F ZINC000645775794 380726561 /nfs/dbraw/zinc/72/65/61/380726561.db2.gz PFNFOZCQJVUPOO-UHFFFAOYSA-N 2 1 276.330 3.343 20 0 CGADMP C[C@@H]([NH2+]CCOCC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000419253274 380788245 /nfs/dbraw/zinc/78/82/45/380788245.db2.gz WNQFAIXLLHLJGK-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc2c(c1)CCC[C@@]21CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420307578 380844493 /nfs/dbraw/zinc/84/44/93/380844493.db2.gz RLPZQHNMGPILAY-PXNSSMCTSA-N 2 1 298.474 3.356 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420302828 380845194 /nfs/dbraw/zinc/84/51/94/380845194.db2.gz CCSNZMUJWRUERK-GUYCJALGSA-N 2 1 276.399 3.264 20 0 CGADMP Cc1csc([C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420315086 380848932 /nfs/dbraw/zinc/84/89/32/380848932.db2.gz KVBSHPZAOQOXJI-HUUCEWRRSA-N 2 1 293.480 3.368 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000356897842 380927882 /nfs/dbraw/zinc/92/78/82/380927882.db2.gz MNORRGPCIOMXIB-CQSZACIVSA-N 2 1 286.423 3.280 20 0 CGADMP CC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000359026907 381335755 /nfs/dbraw/zinc/33/57/55/381335755.db2.gz GBWMTICJDVGPNI-PWUWZPNHSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000360275446 381504416 /nfs/dbraw/zinc/50/44/16/381504416.db2.gz RHWMKJQAECRZTE-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000360700237 381620708 /nfs/dbraw/zinc/62/07/08/381620708.db2.gz BEZSDGVUNYVKKY-SPYBWZPUSA-N 2 1 297.446 3.096 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000360985288 381642571 /nfs/dbraw/zinc/64/25/71/381642571.db2.gz HACOLRZTIJAKSO-XMTFNYHQSA-N 2 1 294.483 3.046 20 0 CGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361460155 381754642 /nfs/dbraw/zinc/75/46/42/381754642.db2.gz RYFRAGGEYMPOIN-XYJFISCASA-N 2 1 290.451 3.054 20 0 CGADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361460155 381754647 /nfs/dbraw/zinc/75/46/47/381754647.db2.gz RYFRAGGEYMPOIN-XYJFISCASA-N 2 1 290.451 3.054 20 0 CGADMP C[N@@H+](Cc1cc(F)cc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000362524890 382036170 /nfs/dbraw/zinc/03/61/70/382036170.db2.gz KBFQKAMHXXSVDE-GFCCVEGCSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@H+](Cc1cc(F)cc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000362524890 382036173 /nfs/dbraw/zinc/03/61/73/382036173.db2.gz KBFQKAMHXXSVDE-GFCCVEGCSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1cc(F)cc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000362524890 382036178 /nfs/dbraw/zinc/03/61/78/382036178.db2.gz KBFQKAMHXXSVDE-GFCCVEGCSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1cc(F)cc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000362524890 382036181 /nfs/dbraw/zinc/03/61/81/382036181.db2.gz KBFQKAMHXXSVDE-GFCCVEGCSA-N 2 1 284.806 3.253 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362921697 382149057 /nfs/dbraw/zinc/14/90/57/382149057.db2.gz IBSFUNPENQXOJI-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000235878426 542313771 /nfs/dbraw/zinc/31/37/71/542313771.db2.gz BGVUBEKKZMTRFF-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558033 382313871 /nfs/dbraw/zinc/31/38/71/382313871.db2.gz PMWWDRHATABNKF-GVDBMIGSSA-N 2 1 262.441 3.006 20 0 CGADMP CC(C)CSCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367211752 382339807 /nfs/dbraw/zinc/33/98/07/382339807.db2.gz MZEFCCSNIFCRAM-XYPWUTKMSA-N 2 1 284.513 3.323 20 0 CGADMP CC(C)CSCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367211752 382339812 /nfs/dbraw/zinc/33/98/12/382339812.db2.gz MZEFCCSNIFCRAM-XYPWUTKMSA-N 2 1 284.513 3.323 20 0 CGADMP CC(C)CSCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367211752 382339817 /nfs/dbraw/zinc/33/98/17/382339817.db2.gz MZEFCCSNIFCRAM-XYPWUTKMSA-N 2 1 284.513 3.323 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000369701854 382392570 /nfs/dbraw/zinc/39/25/70/382392570.db2.gz GOZKADHKYDNESE-UHFFFAOYSA-N 2 1 264.438 3.056 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+]1CCCC1 ZINC000370062862 382414408 /nfs/dbraw/zinc/41/44/08/382414408.db2.gz MVXKKTCCNZUKQV-ADKAHSJRSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251771016 542347341 /nfs/dbraw/zinc/34/73/41/542347341.db2.gz MMCJBOFTLCFYRN-CRAIPNDOSA-N 2 1 268.404 3.399 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251741296 542347495 /nfs/dbraw/zinc/34/74/95/542347495.db2.gz KWUPTUXLCTXGGK-LALPHHSUSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251741296 542347498 /nfs/dbraw/zinc/34/74/98/542347498.db2.gz KWUPTUXLCTXGGK-LALPHHSUSA-N 2 1 266.816 3.460 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250531229 542343146 /nfs/dbraw/zinc/34/31/46/542343146.db2.gz LEAQSKYLBXKSIV-RHSMWYFYSA-N 2 1 284.403 3.397 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251064474 542345110 /nfs/dbraw/zinc/34/51/10/542345110.db2.gz ZNAKRORNWWAJLN-NVXWUHKLSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251064474 542345113 /nfs/dbraw/zinc/34/51/13/542345113.db2.gz ZNAKRORNWWAJLN-NVXWUHKLSA-N 2 1 276.399 3.098 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251902927 542349013 /nfs/dbraw/zinc/34/90/13/542349013.db2.gz WZZXVRLXSDKMRS-LALPHHSUSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251902927 542349018 /nfs/dbraw/zinc/34/90/18/542349018.db2.gz WZZXVRLXSDKMRS-LALPHHSUSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000252823991 542351123 /nfs/dbraw/zinc/35/11/23/542351123.db2.gz CRGOEJHNQCGYTR-BXUZGUMPSA-N 2 1 268.351 3.054 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@H]1[NH3+] ZINC000252706955 542351147 /nfs/dbraw/zinc/35/11/47/542351147.db2.gz VPFSRPNKKNLYHB-TZMCWYRMSA-N 2 1 268.351 3.183 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1[NH3+] ZINC000252706955 542351150 /nfs/dbraw/zinc/35/11/50/542351150.db2.gz VPFSRPNKKNLYHB-TZMCWYRMSA-N 2 1 268.351 3.183 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423443435 532974774 /nfs/dbraw/zinc/97/47/74/532974774.db2.gz KKNCPEDIFDNLDN-MXWKQRLJSA-N 2 1 288.407 3.430 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423449746 532975340 /nfs/dbraw/zinc/97/53/40/532975340.db2.gz RZMWUYROFZVTCG-MCIONIFRSA-N 2 1 269.392 3.135 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000268843635 542362084 /nfs/dbraw/zinc/36/20/84/542362084.db2.gz AJNUWRJESRAAAG-BTPDRXCOSA-N 2 1 297.402 3.151 20 0 CGADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000226436643 285083483 /nfs/dbraw/zinc/08/34/83/285083483.db2.gz RIIPNCPADKUHKS-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000358035171 533042092 /nfs/dbraw/zinc/04/20/92/533042092.db2.gz NKSMSSPVNFXLGE-HOCLYGCPSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000358035171 533042096 /nfs/dbraw/zinc/04/20/96/533042096.db2.gz NKSMSSPVNFXLGE-HOCLYGCPSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000358035171 533042100 /nfs/dbraw/zinc/04/21/00/533042100.db2.gz NKSMSSPVNFXLGE-HOCLYGCPSA-N 2 1 290.476 3.325 20 0 CGADMP CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000353747268 220299585 /nfs/dbraw/zinc/29/95/85/220299585.db2.gz FLUHAULFKZBSNM-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000353747268 220299589 /nfs/dbraw/zinc/29/95/89/220299589.db2.gz FLUHAULFKZBSNM-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000353747268 220299592 /nfs/dbraw/zinc/29/95/92/220299592.db2.gz FLUHAULFKZBSNM-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000353747268 220299596 /nfs/dbraw/zinc/29/95/96/220299596.db2.gz FLUHAULFKZBSNM-RDJZCZTQSA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770427 220319773 /nfs/dbraw/zinc/31/97/73/220319773.db2.gz UQXLFBPVCRVMMA-GOEBONIOSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770427 220319779 /nfs/dbraw/zinc/31/97/79/220319779.db2.gz UQXLFBPVCRVMMA-GOEBONIOSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770427 220319781 /nfs/dbraw/zinc/31/97/81/220319781.db2.gz UQXLFBPVCRVMMA-GOEBONIOSA-N 2 1 285.435 3.473 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)ccc2[nH]1 ZINC000353816852 220347498 /nfs/dbraw/zinc/34/74/98/220347498.db2.gz MVSQWMHKOFPUPO-QRQLOZEOSA-N 2 1 297.446 3.439 20 0 CGADMP c1cc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000289267188 197279589 /nfs/dbraw/zinc/27/95/89/197279589.db2.gz DOWXDBCLONKYKS-GOSISDBHSA-N 2 1 287.451 3.137 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000414189106 533167912 /nfs/dbraw/zinc/16/79/12/533167912.db2.gz RAGHRNAACSLJIT-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446759602 285234963 /nfs/dbraw/zinc/23/49/63/285234963.db2.gz PHGGJIZAHNWQJJ-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2n1 ZINC000334271492 542455386 /nfs/dbraw/zinc/45/53/86/542455386.db2.gz HEWRACPOROCGPI-LJQANCHMSA-N 2 1 295.430 3.119 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339075004 542485655 /nfs/dbraw/zinc/48/56/55/542485655.db2.gz OXNNZSOTKNBNAM-IRXDYDNUSA-N 2 1 288.435 3.110 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339075004 542485660 /nfs/dbraw/zinc/48/56/60/542485660.db2.gz OXNNZSOTKNBNAM-IRXDYDNUSA-N 2 1 288.435 3.110 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068511 542486041 /nfs/dbraw/zinc/48/60/41/542486041.db2.gz PSMIEKVTCBKMPE-UAGQMJEPSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339065549 542486165 /nfs/dbraw/zinc/48/61/65/542486165.db2.gz ABMZXRGWZYTHMC-IRXDYDNUSA-N 2 1 284.447 3.243 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339065550 542486197 /nfs/dbraw/zinc/48/61/97/542486197.db2.gz ABMZXRGWZYTHMC-SJORKVTESA-N 2 1 284.447 3.243 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCOC1CCCCCC1 ZINC000337283375 542480260 /nfs/dbraw/zinc/48/02/60/542480260.db2.gz XXRJXSFFAGKPSC-UHFFFAOYSA-N 2 1 282.472 3.144 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCOC1CCCCCC1 ZINC000337283375 542480263 /nfs/dbraw/zinc/48/02/63/542480263.db2.gz XXRJXSFFAGKPSC-UHFFFAOYSA-N 2 1 282.472 3.144 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1C[C@H]1C ZINC000414069066 533383182 /nfs/dbraw/zinc/38/31/82/533383182.db2.gz RGIBPEAANVXZAL-RKVPGOIHSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1C[C@H]1C ZINC000414069066 533383188 /nfs/dbraw/zinc/38/31/88/533383188.db2.gz RGIBPEAANVXZAL-RKVPGOIHSA-N 2 1 272.436 3.069 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423181371 533410148 /nfs/dbraw/zinc/41/01/48/533410148.db2.gz PBAJBPRUVJRDHA-CQSZACIVSA-N 2 1 276.424 3.316 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(F)c1F ZINC000423350779 533425356 /nfs/dbraw/zinc/42/53/56/533425356.db2.gz XZLGAGWKXIOUGA-ABAIWWIYSA-N 2 1 268.351 3.005 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423264598 533511712 /nfs/dbraw/zinc/51/17/12/533511712.db2.gz AJAJOQYYVBQHJR-OQPBUACISA-N 2 1 273.207 3.381 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000385487078 542602248 /nfs/dbraw/zinc/60/22/48/542602248.db2.gz PKQLAUXHGCKGKN-AVOUXACISA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccsc1 ZINC000191216853 130204792 /nfs/dbraw/zinc/20/47/92/130204792.db2.gz XSFUHCFYAFHGTB-MRXNPFEDSA-N 2 1 296.480 3.026 20 0 CGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCCC1 ZINC000054077506 392088849 /nfs/dbraw/zinc/08/88/49/392088849.db2.gz RQVBYXPHZFZIBO-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)s1 ZINC000049686011 392057066 /nfs/dbraw/zinc/05/70/66/392057066.db2.gz CKXCNYCIKMAVKU-HUUCEWRRSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000049686011 392057072 /nfs/dbraw/zinc/05/70/72/392057072.db2.gz CKXCNYCIKMAVKU-HUUCEWRRSA-N 2 1 264.438 3.081 20 0 CGADMP CCC[N@@H+](CC1CCCCC1)CC1CC[NH2+]CC1 ZINC000094011990 392240753 /nfs/dbraw/zinc/24/07/53/392240753.db2.gz QDATZAZJHKCKOH-UHFFFAOYSA-N 2 1 252.446 3.278 20 0 CGADMP CCCC1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000090721044 392229723 /nfs/dbraw/zinc/22/97/23/392229723.db2.gz LGTQCPPIZGIQKA-LMPOIIKSSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000090721044 392229726 /nfs/dbraw/zinc/22/97/26/392229726.db2.gz LGTQCPPIZGIQKA-LMPOIIKSSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000105456231 392289003 /nfs/dbraw/zinc/28/90/03/392289003.db2.gz KEYHNMTVXNCIHN-OAHLLOKOSA-N 2 1 285.435 3.378 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCCO2 ZINC000361773457 392321035 /nfs/dbraw/zinc/32/10/35/392321035.db2.gz PTCXYMAOTSDTET-HLLBOEOZSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCCO2 ZINC000361773457 392321039 /nfs/dbraw/zinc/32/10/39/392321039.db2.gz PTCXYMAOTSDTET-HLLBOEOZSA-N 2 1 288.435 3.281 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]CC1(C)CCC1)C1CCCCC1 ZINC000434767282 542655689 /nfs/dbraw/zinc/65/56/89/542655689.db2.gz VJZRIQPGARJTGB-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC000237355302 131025785 /nfs/dbraw/zinc/02/57/85/131025785.db2.gz UAHDFHBLQGBVBD-HNNXBMFYSA-N 2 1 271.408 3.234 20 0 CGADMP Cc1cc(N(CC[NH+](C)C)CC2CCCCC2)nc(C)[nH+]1 ZINC000436457107 542659208 /nfs/dbraw/zinc/65/92/08/542659208.db2.gz XARGZWUEAGIGJC-UHFFFAOYSA-N 2 1 290.455 3.042 20 0 CGADMP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000250802741 131127588 /nfs/dbraw/zinc/12/75/88/131127588.db2.gz GFPSKLLBLUTZHT-BZSNNMDCSA-N 2 1 270.420 3.354 20 0 CGADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453337762 542680571 /nfs/dbraw/zinc/68/05/71/542680571.db2.gz ZYFVHHMXOXLSRX-MOPGFXCFSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453337762 542680576 /nfs/dbraw/zinc/68/05/76/542680576.db2.gz ZYFVHHMXOXLSRX-MOPGFXCFSA-N 2 1 295.430 3.315 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453291612 542681084 /nfs/dbraw/zinc/68/10/84/542681084.db2.gz MEXMMDRWHKWDIO-COXVUDFISA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000453291612 542681090 /nfs/dbraw/zinc/68/10/90/542681090.db2.gz MEXMMDRWHKWDIO-COXVUDFISA-N 2 1 258.409 3.210 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000453289734 542681172 /nfs/dbraw/zinc/68/11/72/542681172.db2.gz MNEVPNVLTTVCHE-RBUKOAKNSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000453289734 542681175 /nfs/dbraw/zinc/68/11/75/542681175.db2.gz MNEVPNVLTTVCHE-RBUKOAKNSA-N 2 1 295.430 3.315 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453291614 542681665 /nfs/dbraw/zinc/68/16/65/542681665.db2.gz MEXMMDRWHKWDIO-XOKHGSTOSA-N 2 1 258.409 3.210 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000453291614 542681668 /nfs/dbraw/zinc/68/16/68/542681668.db2.gz MEXMMDRWHKWDIO-XOKHGSTOSA-N 2 1 258.409 3.210 20 0 CGADMP Cc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC000364347384 392437336 /nfs/dbraw/zinc/43/73/36/392437336.db2.gz CXMNEPPQSDGWOP-SFHVURJKSA-N 2 1 281.403 3.101 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236038 542701275 /nfs/dbraw/zinc/70/12/75/542701275.db2.gz IDVNQKUDKCCIOS-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236038 542701279 /nfs/dbraw/zinc/70/12/79/542701279.db2.gz IDVNQKUDKCCIOS-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236038 542701280 /nfs/dbraw/zinc/70/12/80/542701280.db2.gz IDVNQKUDKCCIOS-AEFFLSMTSA-N 2 1 296.499 3.388 20 0 CGADMP Fc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134939375 392469657 /nfs/dbraw/zinc/46/96/57/392469657.db2.gz BTSMVPPOOHXVET-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939375 392469662 /nfs/dbraw/zinc/46/96/62/392469662.db2.gz BTSMVPPOOHXVET-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939375 392469673 /nfs/dbraw/zinc/46/96/73/392469673.db2.gz BTSMVPPOOHXVET-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCF)CC1 ZINC000151996318 392491954 /nfs/dbraw/zinc/49/19/54/392491954.db2.gz XBLRFPLXCXYYKV-OAHLLOKOSA-N 2 1 270.436 3.323 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398921 392507163 /nfs/dbraw/zinc/50/71/63/392507163.db2.gz WZZLPHPVKTZSLD-RDTXWAMCSA-N 2 1 288.435 3.220 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)s1 ZINC000163220846 392602841 /nfs/dbraw/zinc/60/28/41/392602841.db2.gz DSTINDWHTDSNHM-WCQYABFASA-N 2 1 281.469 3.006 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC000302702475 392619006 /nfs/dbraw/zinc/61/90/06/392619006.db2.gz BMQRXFXAWLQHGG-YJBOKZPZSA-N 2 1 295.430 3.464 20 0 CGADMP C(=C/C[N@H+]1CC[C@H](C2CC2)C1)\C[NH+]1CC[C@H](C2CC2)C1 ZINC000372860257 392642071 /nfs/dbraw/zinc/64/20/71/392642071.db2.gz SZQQATVIWYYYAB-QLJMBOKNSA-N 2 1 274.452 3.006 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647303660 392651788 /nfs/dbraw/zinc/65/17/88/392651788.db2.gz HTJHHINVYLMSLT-LBPRGKRZSA-N 2 1 262.388 3.274 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647303660 392651794 /nfs/dbraw/zinc/65/17/94/392651794.db2.gz HTJHHINVYLMSLT-LBPRGKRZSA-N 2 1 262.388 3.274 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647307603 392656704 /nfs/dbraw/zinc/65/67/04/392656704.db2.gz DHLBVYUIIOSRPM-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(C)c1 ZINC000647482827 392736806 /nfs/dbraw/zinc/73/68/06/392736806.db2.gz BTORDMKJEKDLII-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H](c2ccccc2)C(C)C)CC[C@@H]1[NH3+] ZINC000647497483 392740885 /nfs/dbraw/zinc/74/08/85/392740885.db2.gz JHEIURBFCNZBIJ-NJAFHUGGSA-N 2 1 274.452 3.485 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647499066 392742988 /nfs/dbraw/zinc/74/29/88/392742988.db2.gz YSMHLUGGSMDRHH-RDJZCZTQSA-N 2 1 290.451 3.425 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000334853287 392752995 /nfs/dbraw/zinc/75/29/95/392752995.db2.gz IGWHPGSNHYWWPG-NWDGAFQWSA-N 2 1 264.800 3.044 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000647541518 392758575 /nfs/dbraw/zinc/75/85/75/392758575.db2.gz QSRLHDZEMZRLRB-GOSISDBHSA-N 2 1 272.436 3.040 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543847 392759941 /nfs/dbraw/zinc/75/99/41/392759941.db2.gz SUMMCEFSSNDDOR-HUUCEWRRSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543947 392760618 /nfs/dbraw/zinc/76/06/18/392760618.db2.gz USSISITWMOSUFD-HUUCEWRRSA-N 2 1 278.465 3.268 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1F ZINC000647543117 392760809 /nfs/dbraw/zinc/76/08/09/392760809.db2.gz HVDKZKPNMVWGJF-DLBZAZTESA-N 2 1 290.426 3.346 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000510279852 392793984 /nfs/dbraw/zinc/79/39/84/392793984.db2.gz DLCBLLYLVKPXAV-OAHLLOKOSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000510279852 392793990 /nfs/dbraw/zinc/79/39/90/392793990.db2.gz DLCBLLYLVKPXAV-OAHLLOKOSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000510717561 392811403 /nfs/dbraw/zinc/81/14/03/392811403.db2.gz RMJZFRKYWGHPOS-ZDUSSCGKSA-N 2 1 294.389 3.137 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CCCCC1 ZINC000510739742 392813037 /nfs/dbraw/zinc/81/30/37/392813037.db2.gz YFTPEVJVALAILH-IAGOWNOFSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CCCCC1 ZINC000510739742 392813042 /nfs/dbraw/zinc/81/30/42/392813042.db2.gz YFTPEVJVALAILH-IAGOWNOFSA-N 2 1 264.457 3.419 20 0 CGADMP Clc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647876337 392821084 /nfs/dbraw/zinc/82/10/84/392821084.db2.gz WIPGIFYDFZSQDE-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP FC(F)(F)c1ccccc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647874993 392821327 /nfs/dbraw/zinc/82/13/27/392821327.db2.gz PPAZQXFTBUZMCT-GFCCVEGCSA-N 2 1 298.352 3.279 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1C ZINC000647881221 392823116 /nfs/dbraw/zinc/82/31/16/392823116.db2.gz VIILFGNLIMDDHC-WBVHZDCISA-N 2 1 258.409 3.050 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647884467 392825210 /nfs/dbraw/zinc/82/52/10/392825210.db2.gz UDBKVDXHUCRNJP-HNNXBMFYSA-N 2 1 272.436 3.386 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903275 392829222 /nfs/dbraw/zinc/82/92/22/392829222.db2.gz INKLOJXAHXCMFW-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@@H]21 ZINC000647907787 392831065 /nfs/dbraw/zinc/83/10/65/392831065.db2.gz VASHMXCKCOPZHU-HSALFYBXSA-N 2 1 294.442 3.442 20 0 CGADMP C[NH+](C/C=C/C[N@H+](C)C1CCCC1)C1CCCC1 ZINC000194005144 392894265 /nfs/dbraw/zinc/89/42/65/392894265.db2.gz IPISPDLZSDBBCV-BQYQJAHWSA-N 2 1 250.430 3.291 20 0 CGADMP CC(C)C1CCC(C[NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000512055170 392848368 /nfs/dbraw/zinc/84/83/68/392848368.db2.gz XYCXHZJKXVBUOC-UHFFFAOYSA-N 2 1 296.499 3.149 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000515666156 392861722 /nfs/dbraw/zinc/86/17/22/392861722.db2.gz KJKZSHBFRQCJQP-SFHVURJKSA-N 2 1 283.419 3.362 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000515666156 392861730 /nfs/dbraw/zinc/86/17/30/392861730.db2.gz KJKZSHBFRQCJQP-SFHVURJKSA-N 2 1 283.419 3.362 20 0 CGADMP CC(C)[C@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392282171 392929722 /nfs/dbraw/zinc/92/97/22/392929722.db2.gz RYGWJUIHQRCBLH-HOTGVXAUSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000392826184 392932064 /nfs/dbraw/zinc/93/20/64/392932064.db2.gz WTUFYUQFIDIWCR-UMVBOHGHSA-N 2 1 252.446 3.131 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000517267795 542736705 /nfs/dbraw/zinc/73/67/05/542736705.db2.gz KGBHQULCKUPUTM-LBPRGKRZSA-N 2 1 286.822 3.342 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC000459796023 392955653 /nfs/dbraw/zinc/95/56/53/392955653.db2.gz VXUXUHFOMKBCCW-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[C@@H]1c1ccccc1 ZINC000340387808 392972308 /nfs/dbraw/zinc/97/23/08/392972308.db2.gz BWRSCESXKQOINR-VVLHAWIVSA-N 2 1 276.399 3.302 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[C@@H]1c1ccccc1 ZINC000340387808 392972315 /nfs/dbraw/zinc/97/23/15/392972315.db2.gz BWRSCESXKQOINR-VVLHAWIVSA-N 2 1 276.399 3.302 20 0 CGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340396798 392972369 /nfs/dbraw/zinc/97/23/69/392972369.db2.gz WSUCYTJQXHBWDY-SJORKVTESA-N 2 1 290.451 3.084 20 0 CGADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340396798 392972376 /nfs/dbraw/zinc/97/23/76/392972376.db2.gz WSUCYTJQXHBWDY-SJORKVTESA-N 2 1 290.451 3.084 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)C[C@H]1c1ccccc1 ZINC000340382857 392972389 /nfs/dbraw/zinc/97/23/89/392972389.db2.gz CVELHOIJGLNUMB-HRCADAONSA-N 2 1 290.476 3.306 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)C[C@H]1c1ccccc1 ZINC000340382857 392972393 /nfs/dbraw/zinc/97/23/93/392972393.db2.gz CVELHOIJGLNUMB-HRCADAONSA-N 2 1 290.476 3.306 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340471431 392974036 /nfs/dbraw/zinc/97/40/36/392974036.db2.gz WONXSWICQPDXIV-NUEKZKHPSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340471431 392974040 /nfs/dbraw/zinc/97/40/40/392974040.db2.gz WONXSWICQPDXIV-NUEKZKHPSA-N 2 1 264.388 3.160 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000195438834 392967919 /nfs/dbraw/zinc/96/79/19/392967919.db2.gz GGMTYAGGNFCVBO-OAHLLOKOSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000648452040 393024123 /nfs/dbraw/zinc/02/41/23/393024123.db2.gz BSKHNFPOQUKHMQ-ZBFHGGJFSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc(-c2cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c2)cc1 ZINC000415007048 393091276 /nfs/dbraw/zinc/09/12/76/393091276.db2.gz LBJRCGQZDZBXAT-LSDHHAIUSA-N 2 1 268.404 3.487 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000415012616 393095256 /nfs/dbraw/zinc/09/52/56/393095256.db2.gz SVNBYGIIYYKDPR-QWRGUYRKSA-N 2 1 278.396 3.380 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000414977704 393077143 /nfs/dbraw/zinc/07/71/43/393077143.db2.gz KPRKVFTXGCCFLG-HNNXBMFYSA-N 2 1 285.391 3.009 20 0 CGADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC(C)C ZINC000346189820 393078071 /nfs/dbraw/zinc/07/80/71/393078071.db2.gz ZPGODWLYXJTAFR-UHFFFAOYSA-N 2 1 272.396 3.054 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000415053660 393115512 /nfs/dbraw/zinc/11/55/12/393115512.db2.gz OZSJXJFWHMUOOG-FUHWJXTLSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415056973 393116897 /nfs/dbraw/zinc/11/68/97/393116897.db2.gz STSQAQRXUUYWME-BHIYHBOVSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415059754 393121295 /nfs/dbraw/zinc/12/12/95/393121295.db2.gz YUNNGKKAEGSYKZ-OAHLLOKOSA-N 2 1 260.381 3.204 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000415061899 393121765 /nfs/dbraw/zinc/12/17/65/393121765.db2.gz YZYCXCSFKKROOC-AWEZNQCLSA-N 2 1 262.422 3.364 20 0 CGADMP Clc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415059549 393121816 /nfs/dbraw/zinc/12/18/16/393121816.db2.gz XDNFGNSNHPFADG-DGCLKSJQSA-N 2 1 284.856 3.366 20 0 CGADMP Clc1ccsc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415059549 393121823 /nfs/dbraw/zinc/12/18/23/393121823.db2.gz XDNFGNSNHPFADG-DGCLKSJQSA-N 2 1 284.856 3.366 20 0 CGADMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C1CCCC1 ZINC000415065498 393123665 /nfs/dbraw/zinc/12/36/65/393123665.db2.gz MXTWIBTVEVEAQX-UYZDIKGJSA-N 2 1 280.362 3.085 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000415063524 393123883 /nfs/dbraw/zinc/12/38/83/393123883.db2.gz ILCSMYVGCBRIRW-PBHICJAKSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261542130 393141122 /nfs/dbraw/zinc/14/11/22/393141122.db2.gz BVTJWGSHOPHFRE-BXUZGUMPSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261542130 393141131 /nfs/dbraw/zinc/14/11/31/393141131.db2.gz BVTJWGSHOPHFRE-BXUZGUMPSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1C[NH3+] ZINC000415120571 393151543 /nfs/dbraw/zinc/15/15/43/393151543.db2.gz GLPLOFUSQQQCKB-HNAYVOBHSA-N 2 1 295.430 3.165 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415139519 393156405 /nfs/dbraw/zinc/15/64/05/393156405.db2.gz XHLPWWNNLYPHTA-UHFFFAOYSA-N 2 1 294.748 3.400 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415139519 393156409 /nfs/dbraw/zinc/15/64/09/393156409.db2.gz XHLPWWNNLYPHTA-UHFFFAOYSA-N 2 1 294.748 3.400 20 0 CGADMP COc1cccc2c1ncc(C)c2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468726409 393158324 /nfs/dbraw/zinc/15/83/24/393158324.db2.gz UYJVYZAXGIONKC-KGLIPLIRSA-N 2 1 299.418 3.446 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cn1 ZINC000353334498 393219150 /nfs/dbraw/zinc/21/91/50/393219150.db2.gz HHMFSYPLFGEGAO-ZOBUZTSGSA-N 2 1 291.414 3.134 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cn1 ZINC000353334498 393219154 /nfs/dbraw/zinc/21/91/54/393219154.db2.gz HHMFSYPLFGEGAO-ZOBUZTSGSA-N 2 1 291.414 3.134 20 0 CGADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353683889 393231627 /nfs/dbraw/zinc/23/16/27/393231627.db2.gz GKGUQCPMXUIHMA-FAAHXZRKSA-N 2 1 293.480 3.017 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4cnccc43)C2)C1 ZINC000646243296 393246067 /nfs/dbraw/zinc/24/60/67/393246067.db2.gz YIXVSRJAEOMYST-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4cnccc43)C2)C1 ZINC000646243296 393246071 /nfs/dbraw/zinc/24/60/71/393246071.db2.gz YIXVSRJAEOMYST-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4cnccc43)C2)C1 ZINC000646243296 393246076 /nfs/dbraw/zinc/24/60/76/393246076.db2.gz YIXVSRJAEOMYST-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP c1cc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2[nH]1 ZINC000271197564 393248072 /nfs/dbraw/zinc/24/80/72/393248072.db2.gz VBSNQIKRKRZFQW-MRXNPFEDSA-N 2 1 297.446 3.476 20 0 CGADMP CC[C@@H]1Cc2ccccc2C[N@H+]1CCn1ccnc1C ZINC000274494269 393287053 /nfs/dbraw/zinc/28/70/53/393287053.db2.gz RIWBWLLQLWYDNY-QGZVFWFLSA-N 2 1 269.392 3.028 20 0 CGADMP COCCCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000355280173 393289099 /nfs/dbraw/zinc/28/90/99/393289099.db2.gz MGMXJXIHCSLXNJ-GOSISDBHSA-N 2 1 290.451 3.228 20 0 CGADMP CSc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000356215818 393385422 /nfs/dbraw/zinc/38/54/22/393385422.db2.gz CNHLBFFBUUPBMI-UHFFFAOYSA-N 2 1 284.494 3.244 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CCCC1 ZINC000474710448 393342604 /nfs/dbraw/zinc/34/26/04/393342604.db2.gz PSPFBISOJMDIPW-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CCCC1 ZINC000474710448 393342610 /nfs/dbraw/zinc/34/26/10/393342610.db2.gz PSPFBISOJMDIPW-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CN(C[C@H]1CCC(F)(F)C1)C(C)(C)C[NH+]1CCCC1 ZINC000419373072 393368836 /nfs/dbraw/zinc/36/88/36/393368836.db2.gz MDUVYTIDTGVKHT-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000475746351 393416858 /nfs/dbraw/zinc/41/68/58/393416858.db2.gz ALNLRIJIXBYQHO-CYBMUJFWSA-N 2 1 293.455 3.307 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC[N@H+](C)C(C)C ZINC000479527472 393433565 /nfs/dbraw/zinc/43/35/65/393433565.db2.gz MRJINYVPPJGYRQ-CVEARBPZSA-N 2 1 252.446 3.299 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@@H]1CC1(C)C ZINC000486965536 393448317 /nfs/dbraw/zinc/44/83/17/393448317.db2.gz JMUAGKKNPIMTME-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420294598 393451671 /nfs/dbraw/zinc/45/16/71/393451671.db2.gz BJCDZDJOFYKUPV-IIAWOOMASA-N 2 1 276.399 3.003 20 0 CGADMP c1csc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420296848 393453313 /nfs/dbraw/zinc/45/33/13/393453313.db2.gz CDPLILWVVVGRMI-UONOGXRCSA-N 2 1 264.438 3.275 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420298400 393453894 /nfs/dbraw/zinc/45/38/94/393453894.db2.gz FEBTZNNEPMOSSY-CVEARBPZSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420309385 393459296 /nfs/dbraw/zinc/45/92/96/393459296.db2.gz SZWIWRUXYPQYKV-WMZOPIPTSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000488301531 393483128 /nfs/dbraw/zinc/48/31/28/393483128.db2.gz QRQUBEPDDAFXAR-IXDOHACOSA-N 2 1 264.457 3.086 20 0 CGADMP CSc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420392626 393483134 /nfs/dbraw/zinc/48/31/34/393483134.db2.gz IZVSOCGRSVOULW-GDBMZVCRSA-N 2 1 290.476 3.373 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H](C)[NH3+] ZINC000420328398 393468219 /nfs/dbraw/zinc/46/82/19/393468219.db2.gz ZIAGHUPSYTWOOU-LLVKDONJSA-N 2 1 285.229 3.007 20 0 CGADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@@H](C)[NH3+] ZINC000420328398 393468224 /nfs/dbraw/zinc/46/82/24/393468224.db2.gz ZIAGHUPSYTWOOU-LLVKDONJSA-N 2 1 285.229 3.007 20 0 CGADMP Fc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420328503 393468281 /nfs/dbraw/zinc/46/82/81/393468281.db2.gz ZOMUUIKRQQUQSZ-RHSMWYFYSA-N 2 1 276.399 3.352 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1 ZINC000420328407 393468635 /nfs/dbraw/zinc/46/86/35/393468635.db2.gz ZILSWORTRRQBLZ-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000429535495 393475540 /nfs/dbraw/zinc/47/55/40/393475540.db2.gz IHELYEZYDLNPPN-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000420403914 393484550 /nfs/dbraw/zinc/48/45/50/393484550.db2.gz LOFZCJSXNKNHCB-YGRLFVJLSA-N 2 1 252.789 3.118 20 0 CGADMP C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@H]1CCC[NH+](C)C1 ZINC000488333313 393489533 /nfs/dbraw/zinc/48/95/33/393489533.db2.gz UQBIUHBKOJNRBG-ZDUSSCGKSA-N 2 1 289.398 3.081 20 0 CGADMP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@H]1CCC[NH+](C)C1 ZINC000488333313 393489537 /nfs/dbraw/zinc/48/95/37/393489537.db2.gz UQBIUHBKOJNRBG-ZDUSSCGKSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C[C@H]1CCC[N@H+](C)C1 ZINC000488333313 393489541 /nfs/dbraw/zinc/48/95/41/393489541.db2.gz UQBIUHBKOJNRBG-ZDUSSCGKSA-N 2 1 289.398 3.081 20 0 CGADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C[C@H]1CCC[N@@H+](C)C1 ZINC000488333313 393489544 /nfs/dbraw/zinc/48/95/44/393489544.db2.gz UQBIUHBKOJNRBG-ZDUSSCGKSA-N 2 1 289.398 3.081 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000488463796 393523444 /nfs/dbraw/zinc/52/34/44/393523444.db2.gz RBALQCWJXYSSSW-CYBMUJFWSA-N 2 1 296.842 3.101 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000430143668 393528874 /nfs/dbraw/zinc/52/88/74/393528874.db2.gz CTVLJINPRKRNNT-LJQANCHMSA-N 2 1 286.463 3.380 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430143668 393528880 /nfs/dbraw/zinc/52/88/80/393528880.db2.gz CTVLJINPRKRNNT-LJQANCHMSA-N 2 1 286.463 3.380 20 0 CGADMP CC(C)c1ccc(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430143668 393528883 /nfs/dbraw/zinc/52/88/83/393528883.db2.gz CTVLJINPRKRNNT-LJQANCHMSA-N 2 1 286.463 3.380 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430565497 393576985 /nfs/dbraw/zinc/57/69/85/393576985.db2.gz AMPXUJKYNBCNBV-UKRRQHHQSA-N 2 1 280.843 3.332 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770235 542814124 /nfs/dbraw/zinc/81/41/24/542814124.db2.gz QATODQCIURTTJP-HIFRSBDPSA-N 2 1 278.465 3.071 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666770348 542814920 /nfs/dbraw/zinc/81/49/20/542814920.db2.gz VVORZKNXOQXMQC-YESZJQIVSA-N 2 1 258.409 3.054 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421319206 393603626 /nfs/dbraw/zinc/60/36/26/393603626.db2.gz LBBDZBBEHCPTBX-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421319206 393603628 /nfs/dbraw/zinc/60/36/28/393603628.db2.gz LBBDZBBEHCPTBX-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421319206 393603632 /nfs/dbraw/zinc/60/36/32/393603632.db2.gz LBBDZBBEHCPTBX-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421319206 393603636 /nfs/dbraw/zinc/60/36/36/393603636.db2.gz LBBDZBBEHCPTBX-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C3CC3)c2)CCN1C ZINC000421320640 393604013 /nfs/dbraw/zinc/60/40/13/393604013.db2.gz QCLNFTQOXIOCME-KBXCAEBGSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C3CC3)c2)CC[NH+]1C ZINC000421320640 393604026 /nfs/dbraw/zinc/60/40/26/393604026.db2.gz QCLNFTQOXIOCME-KBXCAEBGSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C3CC3)c2)CC[NH+]1C ZINC000421320640 393604034 /nfs/dbraw/zinc/60/40/34/393604034.db2.gz QCLNFTQOXIOCME-KBXCAEBGSA-N 2 1 272.436 3.479 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430653462 393584451 /nfs/dbraw/zinc/58/44/51/393584451.db2.gz OUGYMDBXVCIMEU-MRXNPFEDSA-N 2 1 282.431 3.443 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432409422 393609826 /nfs/dbraw/zinc/60/98/26/393609826.db2.gz YTMBJCHXXZSMMT-BBWFWOEESA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432409422 393609828 /nfs/dbraw/zinc/60/98/28/393609828.db2.gz YTMBJCHXXZSMMT-BBWFWOEESA-N 2 1 284.488 3.292 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000360910177 393613334 /nfs/dbraw/zinc/61/33/34/393613334.db2.gz RQDRZRCRXJDVNC-AEFFLSMTSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422749385 393642629 /nfs/dbraw/zinc/64/26/29/393642629.db2.gz YWQSLZDZQQPWSD-RDBSUJKOSA-N 2 1 261.413 3.361 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ccccc2)C1 ZINC000433079243 393683058 /nfs/dbraw/zinc/68/30/58/393683058.db2.gz YUPOBIWXRWWJQM-ZWKOTPCHSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433079243 393683061 /nfs/dbraw/zinc/68/30/61/393683061.db2.gz YUPOBIWXRWWJQM-ZWKOTPCHSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433079243 393683067 /nfs/dbraw/zinc/68/30/67/393683067.db2.gz YUPOBIWXRWWJQM-ZWKOTPCHSA-N 2 1 272.436 3.350 20 0 CGADMP C[C@@H]([NH2+]CC1(C)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000432860624 393653157 /nfs/dbraw/zinc/65/31/57/393653157.db2.gz TVBMDBHSLWQIHM-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349248 393754122 /nfs/dbraw/zinc/75/41/22/393754122.db2.gz UEDDQXLXWJLMFP-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349248 393754126 /nfs/dbraw/zinc/75/41/26/393754126.db2.gz UEDDQXLXWJLMFP-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349248 393754130 /nfs/dbraw/zinc/75/41/30/393754130.db2.gz UEDDQXLXWJLMFP-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349248 393754132 /nfs/dbraw/zinc/75/41/32/393754132.db2.gz UEDDQXLXWJLMFP-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H](CNc1cc[nH+]c2ccsc21)C[NH+]1CCCC1 ZINC000443439082 393757168 /nfs/dbraw/zinc/75/71/68/393757168.db2.gz GJWWGCOMEQCXAY-LBPRGKRZSA-N 2 1 275.421 3.440 20 0 CGADMP CC[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H](C)C1 ZINC000361181994 393696062 /nfs/dbraw/zinc/69/60/62/393696062.db2.gz UMVRVAYOBNMEPP-CJNGLKHVSA-N 2 1 273.424 3.103 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H](C)C1 ZINC000361181994 393696065 /nfs/dbraw/zinc/69/60/65/393696065.db2.gz UMVRVAYOBNMEPP-CJNGLKHVSA-N 2 1 273.424 3.103 20 0 CGADMP CC(C)(C)CC[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000438068969 393720676 /nfs/dbraw/zinc/72/06/76/393720676.db2.gz ZEDMYIPLHHWFSU-UHFFFAOYSA-N 2 1 274.452 3.461 20 0 CGADMP CC(C)(C)CC[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000438068969 393720678 /nfs/dbraw/zinc/72/06/78/393720678.db2.gz ZEDMYIPLHHWFSU-UHFFFAOYSA-N 2 1 274.452 3.461 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCc2ccccc2C1 ZINC000499951170 393811690 /nfs/dbraw/zinc/81/16/90/393811690.db2.gz RPRNQJDJUQOGAC-QGZVFWFLSA-N 2 1 286.463 3.209 20 0 CGADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)SC1CCCCC1 ZINC000500102513 393817344 /nfs/dbraw/zinc/81/73/44/393817344.db2.gz DBQYVFVUHYIRAC-INIZCTEOSA-N 2 1 296.524 3.470 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000502592337 393880768 /nfs/dbraw/zinc/88/07/68/393880768.db2.gz FEZFKSSYBBPIBJ-SYQHCUMBSA-N 2 1 274.399 3.130 20 0 CGADMP C1CC1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000453076562 394162944 /nfs/dbraw/zinc/16/29/44/394162944.db2.gz QRDKZZTWDLTSRW-KRWDZBQOSA-N 2 1 262.441 3.172 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453394930 394230410 /nfs/dbraw/zinc/23/04/10/394230410.db2.gz HLDXHDWSMSPFJZ-AWEZNQCLSA-N 2 1 275.440 3.169 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000453429032 394243965 /nfs/dbraw/zinc/24/39/65/394243965.db2.gz PGKMIPILZMGOBK-KRWDZBQOSA-N 2 1 258.409 3.138 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC000453598663 394254152 /nfs/dbraw/zinc/25/41/52/394254152.db2.gz PYJBFDJOLTWOPJ-UHFFFAOYSA-N 2 1 266.816 3.304 20 0 CGADMP CC(C)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000667531165 542884211 /nfs/dbraw/zinc/88/42/11/542884211.db2.gz YRLZBVAUJGRTSB-UHFFFAOYSA-N 2 1 272.396 3.134 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]2C2CCCC2)n(-c2ccncc2)n1 ZINC000667544555 542886941 /nfs/dbraw/zinc/88/69/41/542886941.db2.gz KYLCZZSNOQSBGG-SFHVURJKSA-N 2 1 296.418 3.422 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000667544555 542886944 /nfs/dbraw/zinc/88/69/44/542886944.db2.gz KYLCZZSNOQSBGG-SFHVURJKSA-N 2 1 296.418 3.422 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000667544555 542886946 /nfs/dbraw/zinc/88/69/46/542886946.db2.gz KYLCZZSNOQSBGG-SFHVURJKSA-N 2 1 296.418 3.422 20 0 CGADMP C[C@H]1CCCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667631267 542900266 /nfs/dbraw/zinc/90/02/66/542900266.db2.gz BQTWLCNMBUJDSK-AWEZNQCLSA-N 2 1 270.380 3.032 20 0 CGADMP C[C@H]1CCCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667631267 542900268 /nfs/dbraw/zinc/90/02/68/542900268.db2.gz BQTWLCNMBUJDSK-AWEZNQCLSA-N 2 1 270.380 3.032 20 0 CGADMP Cc1ncc(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)n1C ZINC000667656763 542908600 /nfs/dbraw/zinc/90/86/00/542908600.db2.gz QRWYCWZVUWMTRX-AWEZNQCLSA-N 2 1 271.408 3.100 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000668747797 543055045 /nfs/dbraw/zinc/05/50/45/543055045.db2.gz LRVHLYSCFIVFQS-OAHLLOKOSA-N 2 1 290.451 3.263 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000668747797 543055046 /nfs/dbraw/zinc/05/50/46/543055046.db2.gz LRVHLYSCFIVFQS-OAHLLOKOSA-N 2 1 290.451 3.263 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CS1 ZINC000668818754 543065998 /nfs/dbraw/zinc/06/59/98/543065998.db2.gz KSTMLWKBWSAMHS-IKGGRYGDSA-N 2 1 296.524 3.228 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265106 543147862 /nfs/dbraw/zinc/14/78/62/543147862.db2.gz NRVKUJONNHKTMM-HOTGVXAUSA-N 2 1 284.488 3.101 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916406 397609447 /nfs/dbraw/zinc/60/94/47/397609447.db2.gz GZMBDKNVANECFH-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037917945 397609810 /nfs/dbraw/zinc/60/98/10/397609810.db2.gz WSRZGZSHKKJVHX-CJNGLKHVSA-N 2 1 278.465 3.275 20 0 CGADMP c1ccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038078702 397610503 /nfs/dbraw/zinc/61/05/03/397610503.db2.gz FYAOAOBGUVRTPH-WBVHZDCISA-N 2 1 290.476 3.243 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1=CCCC1 ZINC000308767066 397681747 /nfs/dbraw/zinc/68/17/47/397681747.db2.gz GAOWNEWIZWZQNJ-JKSUJKDBSA-N 2 1 262.441 3.339 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCC1 ZINC000429514885 292126100 /nfs/dbraw/zinc/12/61/00/292126100.db2.gz ARGIZJGZCBXCPQ-IKGGRYGDSA-N 2 1 296.499 3.434 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c1)CCC2 ZINC000650704318 397897606 /nfs/dbraw/zinc/89/76/06/397897606.db2.gz SZMJEWAKVITMEX-LPHOPBHVSA-N 2 1 284.447 3.139 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C\c1ccc(F)cc1F)C2 ZINC000650709115 397898050 /nfs/dbraw/zinc/89/80/50/397898050.db2.gz CHEREDORVIOZPX-MSEGVNSJSA-N 2 1 292.373 3.039 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C/C=C\c1ccc(F)cc1F)C2 ZINC000650709115 397898051 /nfs/dbraw/zinc/89/80/51/397898051.db2.gz CHEREDORVIOZPX-MSEGVNSJSA-N 2 1 292.373 3.039 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC000650705997 397898065 /nfs/dbraw/zinc/89/80/65/397898065.db2.gz BOLFKHNNORJRBL-KZNAEPCWSA-N 2 1 294.483 3.175 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC[NH2+]1 ZINC000650708956 397898098 /nfs/dbraw/zinc/89/80/98/397898098.db2.gz WOVNQWBWFQHNQM-RVKKMQEKSA-N 2 1 290.426 3.177 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Cl)cn1 ZINC000650754772 397909029 /nfs/dbraw/zinc/90/90/29/397909029.db2.gz QGLVAPPNJHJVGX-JTQLQIEISA-N 2 1 293.773 3.184 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1C2CC3CC(C2)CC1C3 ZINC000677237957 543440545 /nfs/dbraw/zinc/44/05/45/543440545.db2.gz RYIRXXFVSYPSMZ-IUSBLUBVSA-N 2 1 288.479 3.275 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239984 543441056 /nfs/dbraw/zinc/44/10/56/543441056.db2.gz CFRGHJGBNJHAQY-XYPHTWIQSA-N 2 1 276.399 3.146 20 0 CGADMP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(C)C ZINC000678139870 543487864 /nfs/dbraw/zinc/48/78/64/543487864.db2.gz BQBRECDJVIRORQ-UHFFFAOYSA-N 2 1 278.440 3.105 20 0 CGADMP C[N@H+](Cc1ccccc1C1CC1)CC1CC[NH+](C)CC1 ZINC000678239155 543499561 /nfs/dbraw/zinc/49/95/61/543499561.db2.gz UAYFXKHKQBABNY-UHFFFAOYSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678285589 543511188 /nfs/dbraw/zinc/51/11/88/543511188.db2.gz OOHRXAPNSAZPDY-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nccc3ccccc32)C1 ZINC000678285589 543511191 /nfs/dbraw/zinc/51/11/91/543511191.db2.gz OOHRXAPNSAZPDY-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000678285589 543511193 /nfs/dbraw/zinc/51/11/93/543511193.db2.gz OOHRXAPNSAZPDY-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678285589 543511195 /nfs/dbraw/zinc/51/11/95/543511195.db2.gz OOHRXAPNSAZPDY-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000678590827 543539340 /nfs/dbraw/zinc/53/93/40/543539340.db2.gz KMXWTYZGJTVTPP-IPELMVKDSA-N 2 1 284.447 3.008 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000678596657 543540387 /nfs/dbraw/zinc/54/03/87/543540387.db2.gz IDKJEARGRCVROJ-YCVVXREPSA-N 2 1 284.447 3.395 20 0 CGADMP CCO[C@@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CCCC1 ZINC000422829822 286200167 /nfs/dbraw/zinc/20/01/67/286200167.db2.gz UYRYYCHVUPMIDD-GUYCJALGSA-N 2 1 291.439 3.130 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C12CCCC2 ZINC000359022365 286282912 /nfs/dbraw/zinc/28/29/12/286282912.db2.gz XJCPVUGTFLRTMO-BZUAXINKSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@H]([NH3+])C2CC2)C2CCCC2)o1 ZINC000423317328 292260238 /nfs/dbraw/zinc/26/02/38/292260238.db2.gz KKTKMQAFVMBODP-GOEBONIOSA-N 2 1 262.397 3.146 20 0 CGADMP CCOc1ccccc1[C@@H](CC(C)C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422815378 286580784 /nfs/dbraw/zinc/58/07/84/286580784.db2.gz XOWOQINTNODGBF-RHSMWYFYSA-N 2 1 290.451 3.370 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415073900 298384589 /nfs/dbraw/zinc/38/45/89/298384589.db2.gz ZZWFSXKDMOLAFD-PWSUYJOCSA-N 2 1 266.351 3.215 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075836316 287028978 /nfs/dbraw/zinc/02/89/78/287028978.db2.gz WBHGNAQFANIHGS-GOSISDBHSA-N 2 1 272.436 3.303 20 0 CGADMP C[C@@H](Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422920894 287073413 /nfs/dbraw/zinc/07/34/13/287073413.db2.gz NESYLDQTFSXPKX-LSDHHAIUSA-N 2 1 287.451 3.081 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C(C)C ZINC000090586454 287103026 /nfs/dbraw/zinc/10/30/26/287103026.db2.gz NJYHJYWDPWHNNY-CVEARBPZSA-N 2 1 254.462 3.379 20 0 CGADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000089424956 165203128 /nfs/dbraw/zinc/20/31/28/165203128.db2.gz COBKFWHRDVVHHR-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000089424956 165203131 /nfs/dbraw/zinc/20/31/31/165203131.db2.gz COBKFWHRDVVHHR-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(Cl)cc1 ZINC000089424956 165203132 /nfs/dbraw/zinc/20/31/32/165203132.db2.gz COBKFWHRDVVHHR-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(Cl)cc1 ZINC000089424956 165203133 /nfs/dbraw/zinc/20/31/33/165203133.db2.gz COBKFWHRDVVHHR-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cccs2)CC1 ZINC000092165901 165284371 /nfs/dbraw/zinc/28/43/71/165284371.db2.gz YYLUCTIGAVBWLP-UHFFFAOYSA-N 2 1 252.427 3.054 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccs2)CC1 ZINC000092165901 165284374 /nfs/dbraw/zinc/28/43/74/165284374.db2.gz YYLUCTIGAVBWLP-UHFFFAOYSA-N 2 1 252.427 3.054 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000094010623 165342745 /nfs/dbraw/zinc/34/27/45/165342745.db2.gz BKUYKIIYOZEPHF-UHFFFAOYSA-N 2 1 260.425 3.241 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094339018 165349718 /nfs/dbraw/zinc/34/97/18/165349718.db2.gz GUFSNFWLXDFJEL-GUYCJALGSA-N 2 1 284.403 3.018 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639025 287117920 /nfs/dbraw/zinc/11/79/20/287117920.db2.gz AAJKEEOBGAXFPV-QAPCUYQASA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639025 287117922 /nfs/dbraw/zinc/11/79/22/287117922.db2.gz AAJKEEOBGAXFPV-QAPCUYQASA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639025 287117925 /nfs/dbraw/zinc/11/79/25/287117925.db2.gz AAJKEEOBGAXFPV-QAPCUYQASA-N 2 1 274.452 3.466 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000113516306 287147828 /nfs/dbraw/zinc/14/78/28/287147828.db2.gz GLPFMCSVZFNUFJ-ZDUSSCGKSA-N 2 1 298.883 3.316 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000113516306 287147831 /nfs/dbraw/zinc/14/78/31/287147831.db2.gz GLPFMCSVZFNUFJ-ZDUSSCGKSA-N 2 1 298.883 3.316 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919473 287156585 /nfs/dbraw/zinc/15/65/85/287156585.db2.gz XELZYBKDZJOLFA-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000284434867 196054308 /nfs/dbraw/zinc/05/43/08/196054308.db2.gz ROANHSOSWQQPBK-SFHVURJKSA-N 2 1 283.419 3.111 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000125598822 287247391 /nfs/dbraw/zinc/24/73/91/287247391.db2.gz JCIOEAIOGCYIPI-ZDUSSCGKSA-N 2 1 282.378 3.319 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000125598822 287247392 /nfs/dbraw/zinc/24/73/92/287247392.db2.gz JCIOEAIOGCYIPI-ZDUSSCGKSA-N 2 1 282.378 3.319 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2C)C2CC2)C1 ZINC000284540588 196080217 /nfs/dbraw/zinc/08/02/17/196080217.db2.gz XLZCQFZUODSKFE-VQIMIIECSA-N 2 1 286.463 3.248 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000020189256 171054903 /nfs/dbraw/zinc/05/49/03/171054903.db2.gz GTKBYLWBFCMKOC-GFCCVEGCSA-N 2 1 282.378 3.488 20 0 CGADMP COc1ccc(C)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000035161779 172021347 /nfs/dbraw/zinc/02/13/47/172021347.db2.gz RVWHCDXMCNGCDI-UHFFFAOYSA-N 2 1 290.451 3.402 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367633557 287267041 /nfs/dbraw/zinc/26/70/41/287267041.db2.gz IJGRYJOJTSDBHR-GDBMZVCRSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367633557 287267044 /nfs/dbraw/zinc/26/70/44/287267044.db2.gz IJGRYJOJTSDBHR-GDBMZVCRSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367633557 287267046 /nfs/dbraw/zinc/26/70/46/287267046.db2.gz IJGRYJOJTSDBHR-GDBMZVCRSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000252196589 287268727 /nfs/dbraw/zinc/26/87/27/287268727.db2.gz SLMXBDVIKALVSP-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285466335 196293087 /nfs/dbraw/zinc/29/30/87/196293087.db2.gz KCEZARXNBUQSIE-SJPCQFCGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285466335 196293088 /nfs/dbraw/zinc/29/30/88/196293088.db2.gz KCEZARXNBUQSIE-SJPCQFCGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285466335 196293090 /nfs/dbraw/zinc/29/30/90/196293090.db2.gz KCEZARXNBUQSIE-SJPCQFCGSA-N 2 1 258.409 3.052 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000037249008 173061123 /nfs/dbraw/zinc/06/11/23/173061123.db2.gz JOCOPIMECYBJBA-CQSZACIVSA-N 2 1 272.436 3.310 20 0 CGADMP CCOCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285712537 196374556 /nfs/dbraw/zinc/37/45/56/196374556.db2.gz PPQFDMWRFPZNOX-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444681194 287287952 /nfs/dbraw/zinc/28/79/52/287287952.db2.gz YTBLYDOCLITNRJ-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1cc[nH+]c(NCCC[N@H+](C)C2CCCCC2)c1 ZINC000043561520 175066433 /nfs/dbraw/zinc/06/64/33/175066433.db2.gz DLBIFPJSCBDSNT-UHFFFAOYSA-N 2 1 261.413 3.457 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527664 175192787 /nfs/dbraw/zinc/19/27/87/175192787.db2.gz BKDLLBGUXLKYRP-IUODEOHRSA-N 2 1 266.816 3.462 20 0 CGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245369 416476209 /nfs/dbraw/zinc/47/62/09/416476209.db2.gz XRQDPKPKQNRQTP-UONOGXRCSA-N 2 1 254.377 3.181 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(C)(C)C ZINC000305965197 416527034 /nfs/dbraw/zinc/52/70/34/416527034.db2.gz CEDIQAOUZIXBCR-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])ccc2n1 ZINC000404329493 416552883 /nfs/dbraw/zinc/55/28/83/416552883.db2.gz YBTOOVFMZXTBDF-IFXJQAMLSA-N 2 1 297.446 3.493 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2ccsc2Cl)[C@H]1CC[NH3+] ZINC000405231348 416559353 /nfs/dbraw/zinc/55/93/53/416559353.db2.gz QXOBSRRKKOQLCZ-JQWIXIFHSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccsc2Cl)[C@H]1CC[NH3+] ZINC000405231348 416559355 /nfs/dbraw/zinc/55/93/55/416559355.db2.gz QXOBSRRKKOQLCZ-JQWIXIFHSA-N 2 1 272.845 3.351 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(OC(C)C)cc2)CC[C@@H]1[NH3+] ZINC000122231323 416503759 /nfs/dbraw/zinc/50/37/59/416503759.db2.gz BGZAQMOWABLHES-RDJZCZTQSA-N 2 1 276.424 3.033 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2cc(C)ccc2C)CC[C@@H]1[NH3+] ZINC000122723571 416505787 /nfs/dbraw/zinc/50/57/87/416505787.db2.gz FPAQSIBMEJTSQJ-IRXDYDNUSA-N 2 1 290.451 3.132 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130119874 287345289 /nfs/dbraw/zinc/34/52/89/287345289.db2.gz AIRCTXPSIXKWPM-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130119874 287345291 /nfs/dbraw/zinc/34/52/91/287345291.db2.gz AIRCTXPSIXKWPM-QWHCGFSZSA-N 2 1 280.378 3.429 20 0 CGADMP c1cn(-c2csc(C[N@@H+]3[C@H]4C=CC[C@@H]3CC4)c2)cn1 ZINC000680329149 543697515 /nfs/dbraw/zinc/69/75/15/543697515.db2.gz PHBWQAVXPZECKH-QWHCGFSZSA-N 2 1 271.389 3.227 20 0 CGADMP C[C@H]([NH2+]C1CC=CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681391689 543785213 /nfs/dbraw/zinc/78/52/13/543785213.db2.gz JQUFLFCBOOXAOE-DOTOQJQBSA-N 2 1 270.420 3.205 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1C ZINC000681052567 543761653 /nfs/dbraw/zinc/76/16/53/543761653.db2.gz JWCDVWDBODEIGV-XYVMCAHJSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cc(OCC[N@H+](C)Cc2ccc(F)cc2)cc(C)[nH+]1 ZINC000682452967 543847587 /nfs/dbraw/zinc/84/75/87/543847587.db2.gz BOSLGIHVPCVMQL-UHFFFAOYSA-N 2 1 288.366 3.348 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000366974411 226052622 /nfs/dbraw/zinc/05/26/22/226052622.db2.gz RGNKHJFSIOTSSK-QBPKDAKJSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000366974411 226052626 /nfs/dbraw/zinc/05/26/26/226052626.db2.gz RGNKHJFSIOTSSK-QBPKDAKJSA-N 2 1 272.436 3.313 20 0 CGADMP c1csc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000683519817 543919438 /nfs/dbraw/zinc/91/94/38/543919438.db2.gz UAYYGXXNIJTZBX-IYBDPMFKSA-N 2 1 284.428 3.066 20 0 CGADMP Cc1ccnc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000683022709 543890479 /nfs/dbraw/zinc/89/04/79/543890479.db2.gz VZIBDCNQQHEQPQ-HOTGVXAUSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccnc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000683022709 543890481 /nfs/dbraw/zinc/89/04/81/543890481.db2.gz VZIBDCNQQHEQPQ-HOTGVXAUSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccnc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000683022709 543890485 /nfs/dbraw/zinc/89/04/85/543890485.db2.gz VZIBDCNQQHEQPQ-HOTGVXAUSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccnc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000683022713 543890626 /nfs/dbraw/zinc/89/06/26/543890626.db2.gz VZIBDCNQQHEQPQ-JKSUJKDBSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000683022713 543890628 /nfs/dbraw/zinc/89/06/28/543890628.db2.gz VZIBDCNQQHEQPQ-JKSUJKDBSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000683022713 543890631 /nfs/dbraw/zinc/89/06/31/543890631.db2.gz VZIBDCNQQHEQPQ-JKSUJKDBSA-N 2 1 287.451 3.133 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CC1(C)CC1 ZINC000683765478 543939204 /nfs/dbraw/zinc/93/92/04/543939204.db2.gz QDVMRSAKSKRIBT-UHFFFAOYSA-N 2 1 260.425 3.417 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683767119 543939836 /nfs/dbraw/zinc/93/98/36/543939836.db2.gz BOOLTZJEVQPWLV-INIZCTEOSA-N 2 1 283.419 3.056 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000685666170 544094222 /nfs/dbraw/zinc/09/42/22/544094222.db2.gz OGOOPUPZTOVLIU-MWDXBVQZSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000685666170 544094225 /nfs/dbraw/zinc/09/42/25/544094225.db2.gz OGOOPUPZTOVLIU-MWDXBVQZSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000352834923 227310313 /nfs/dbraw/zinc/31/03/13/227310313.db2.gz MGSOBHOTYTXJMH-YSVLISHTSA-N 2 1 275.440 3.410 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3F)CCC2)CC[N@H+]1C ZINC000652220592 418937320 /nfs/dbraw/zinc/93/73/20/418937320.db2.gz DSNYADPYAABXAS-CABCVRRESA-N 2 1 290.426 3.320 20 0 CGADMP Fc1ccccc1C[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000652358574 418956794 /nfs/dbraw/zinc/95/67/94/418956794.db2.gz SZJSRYYIOULESP-DOTOQJQBSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CC=CC2)CC1 ZINC000659876714 419026692 /nfs/dbraw/zinc/02/66/92/419026692.db2.gz MCMVWNGZCDYXLB-UHFFFAOYSA-N 2 1 250.430 3.005 20 0 CGADMP CCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1F ZINC000653514215 419042771 /nfs/dbraw/zinc/04/27/71/419042771.db2.gz QFEXBZPRBHABFV-UHFFFAOYSA-N 2 1 289.398 3.404 20 0 CGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1F ZINC000653514215 419042774 /nfs/dbraw/zinc/04/27/74/419042774.db2.gz QFEXBZPRBHABFV-UHFFFAOYSA-N 2 1 289.398 3.404 20 0 CGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC2 ZINC000655738968 419084039 /nfs/dbraw/zinc/08/40/39/419084039.db2.gz RSVVIIVRSSTZSM-QGZVFWFLSA-N 2 1 270.420 3.142 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1csc(Cl)c1 ZINC000665248076 419091261 /nfs/dbraw/zinc/09/12/61/419091261.db2.gz OJAGZQXBCUCNSR-SECBINFHSA-N 2 1 258.818 3.324 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc2ccccc2o1 ZINC000665249205 419091608 /nfs/dbraw/zinc/09/16/08/419091608.db2.gz LBMPPLQPGNYGNP-GFCCVEGCSA-N 2 1 258.365 3.355 20 0 CGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)C(C)C)cc1 ZINC000665254028 419093908 /nfs/dbraw/zinc/09/39/08/419093908.db2.gz GGRVQAJWRUYILE-WBAXXEDZSA-N 2 1 290.451 3.165 20 0 CGADMP COc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1C ZINC000665294511 419107438 /nfs/dbraw/zinc/10/74/38/419107438.db2.gz QBIFKNROHPOMIF-MAUKXSAKSA-N 2 1 298.430 3.052 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CC1 ZINC000653581495 419052850 /nfs/dbraw/zinc/05/28/50/419052850.db2.gz SRDVOTDONSRCSU-ZDUSSCGKSA-N 2 1 261.413 3.415 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000655949357 419128946 /nfs/dbraw/zinc/12/89/46/419128946.db2.gz UTGDLEZKDGDOGG-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660665747 419180115 /nfs/dbraw/zinc/18/01/15/419180115.db2.gz XQZRSKQQRREEQL-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000660665747 419180118 /nfs/dbraw/zinc/18/01/18/419180118.db2.gz XQZRSKQQRREEQL-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660665747 419180121 /nfs/dbraw/zinc/18/01/21/419180121.db2.gz XQZRSKQQRREEQL-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1cc(C(F)(F)F)cc(N(C)CC[C@@H]([NH3+])C(C)C)[nH+]1 ZINC000656606674 419185720 /nfs/dbraw/zinc/18/57/20/419185720.db2.gz WCDIVISBDFVZIS-GFCCVEGCSA-N 2 1 289.345 3.218 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)[C@H]1CC1(C)C ZINC000666086365 419189205 /nfs/dbraw/zinc/18/92/05/419189205.db2.gz FIWMARKGQFBRKP-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656785209 419218724 /nfs/dbraw/zinc/21/87/24/419218724.db2.gz FSFXMCVDDBJBGP-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CCCC1 ZINC000656789686 419220441 /nfs/dbraw/zinc/22/04/41/419220441.db2.gz VLZFCFNROVAEHF-UHFFFAOYSA-N 2 1 278.343 3.128 20 0 CGADMP Cc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1Cl ZINC000656789729 419220939 /nfs/dbraw/zinc/22/09/39/419220939.db2.gz WNRQRKSWWBSQRM-UHFFFAOYSA-N 2 1 252.789 3.010 20 0 CGADMP c1coc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000661161179 419235847 /nfs/dbraw/zinc/23/58/47/419235847.db2.gz MWBCQGGTQGTCHI-UHFFFAOYSA-N 2 1 276.424 3.335 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657548080 419301850 /nfs/dbraw/zinc/30/18/50/419301850.db2.gz RDDDWDXYJOLVOG-KURKYZTESA-N 2 1 290.426 3.363 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657548081 419302155 /nfs/dbraw/zinc/30/21/55/419302155.db2.gz RDDDWDXYJOLVOG-KZNAEPCWSA-N 2 1 290.426 3.363 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657559693 419304048 /nfs/dbraw/zinc/30/40/48/419304048.db2.gz PYGPEVPQKNIDAM-BMGDILEWSA-N 2 1 290.426 3.282 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480678533 228153309 /nfs/dbraw/zinc/15/33/09/228153309.db2.gz UGAHKQWSCRCVFI-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC3 ZINC000662304597 419388007 /nfs/dbraw/zinc/38/80/07/419388007.db2.gz BNSSQAZJHXCYSR-OAHLLOKOSA-N 2 1 297.446 3.224 20 0 CGADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCc1ccc(C(F)(F)F)cc1 ZINC000662303367 419388675 /nfs/dbraw/zinc/38/86/75/419388675.db2.gz AVKZRRKVAZZCIM-UHFFFAOYSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2CCCc1ccc(C(F)(F)F)cc1 ZINC000662303367 419388678 /nfs/dbraw/zinc/38/86/78/419388678.db2.gz AVKZRRKVAZZCIM-UHFFFAOYSA-N 2 1 298.352 3.061 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662320788 419390086 /nfs/dbraw/zinc/39/00/86/419390086.db2.gz DREXXFGPHGMIJV-DOTOQJQBSA-N 2 1 264.457 3.278 20 0 CGADMP C(C1CCC1)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000662228621 419366968 /nfs/dbraw/zinc/36/69/68/419366968.db2.gz AFRSXTAGSBSQAF-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCSc1ccc(F)cc1F ZINC000662249201 419373933 /nfs/dbraw/zinc/37/39/33/419373933.db2.gz JKPQETOYLBQSAN-CQSZACIVSA-N 2 1 288.407 3.020 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000662271917 419378718 /nfs/dbraw/zinc/37/87/18/419378718.db2.gz KDRGJLCBZISXGN-HNNXBMFYSA-N 2 1 260.425 3.371 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC000662276501 419381998 /nfs/dbraw/zinc/38/19/98/419381998.db2.gz NNJQNMLECLPVHF-NXWXRZEISA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC000662276501 419382004 /nfs/dbraw/zinc/38/20/04/419382004.db2.gz NNJQNMLECLPVHF-NXWXRZEISA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657837463 419382104 /nfs/dbraw/zinc/38/21/04/419382104.db2.gz GLHNODHJVXHNGJ-CQSZACIVSA-N 2 1 288.426 3.176 20 0 CGADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCC1 ZINC000657837440 419382200 /nfs/dbraw/zinc/38/22/00/419382200.db2.gz FXNNUTNFCGZHJP-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000662283110 419386412 /nfs/dbraw/zinc/38/64/12/419386412.db2.gz LHOFKTQGXLUCTC-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCc1cccc2ccccc21 ZINC000662304332 419387315 /nfs/dbraw/zinc/38/73/15/419387315.db2.gz NTFZKPDJCCFTMT-UHFFFAOYSA-N 2 1 280.415 3.196 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2CCCc1cccc2ccccc21 ZINC000662304332 419387321 /nfs/dbraw/zinc/38/73/21/419387321.db2.gz NTFZKPDJCCFTMT-UHFFFAOYSA-N 2 1 280.415 3.196 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000658014901 419492040 /nfs/dbraw/zinc/49/20/40/419492040.db2.gz AZCRXCQUKXQQSB-FHERZECASA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(OCC)CC1 ZINC000658014901 419492047 /nfs/dbraw/zinc/49/20/47/419492047.db2.gz AZCRXCQUKXQQSB-FHERZECASA-N 2 1 270.461 3.044 20 0 CGADMP C[C@@H]1C[C@H](C)N(c2cc[nH+]c3ccsc32)C[C@H]1C[NH3+] ZINC000663240224 419527279 /nfs/dbraw/zinc/52/72/79/419527279.db2.gz AEXKKDPLYRPDDX-GRYCIOLGSA-N 2 1 275.421 3.106 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658075921 419546176 /nfs/dbraw/zinc/54/61/76/419546176.db2.gz BWAVHQLZGPVYAR-IAOVAPTHSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658075921 419546183 /nfs/dbraw/zinc/54/61/83/419546183.db2.gz BWAVHQLZGPVYAR-IAOVAPTHSA-N 2 1 278.415 3.219 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccnc3ccccc23)[C@H](C)C1 ZINC000658126693 419602738 /nfs/dbraw/zinc/60/27/38/419602738.db2.gz HNSNNYUGNXGYPJ-CRAIPNDOSA-N 2 1 297.446 3.097 20 0 CGADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)C1 ZINC000658128975 419607883 /nfs/dbraw/zinc/60/78/83/419607883.db2.gz YZJVMOIBSQRMQY-ZVDSWSACSA-N 2 1 252.446 3.131 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC000663466008 419616698 /nfs/dbraw/zinc/61/66/98/419616698.db2.gz MZHGCGHRPNMXDU-RDJZCZTQSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663468499 419620758 /nfs/dbraw/zinc/62/07/58/419620758.db2.gz LMHFVTFYVVRVGK-RDJZCZTQSA-N 2 1 264.457 3.133 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000663466394 419621047 /nfs/dbraw/zinc/62/10/47/419621047.db2.gz SGODTGTTWSXNDY-NVXWUHKLSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663471766 419624477 /nfs/dbraw/zinc/62/44/77/419624477.db2.gz XVQHAOKCUVVEHQ-WFASDCNBSA-N 2 1 293.480 3.224 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663471766 419624485 /nfs/dbraw/zinc/62/44/85/419624485.db2.gz XVQHAOKCUVVEHQ-WFASDCNBSA-N 2 1 293.480 3.224 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663470303 419627304 /nfs/dbraw/zinc/62/73/04/419627304.db2.gz UTHOIUYDMHFFAF-GDBMZVCRSA-N 2 1 276.424 3.361 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663470303 419627315 /nfs/dbraw/zinc/62/73/15/419627315.db2.gz UTHOIUYDMHFFAF-GDBMZVCRSA-N 2 1 276.424 3.361 20 0 CGADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000658230370 419691482 /nfs/dbraw/zinc/69/14/82/419691482.db2.gz MQYDVYIWVLDAGB-CABCVRRESA-N 2 1 282.497 3.269 20 0 CGADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000658230370 419691486 /nfs/dbraw/zinc/69/14/86/419691486.db2.gz MQYDVYIWVLDAGB-CABCVRRESA-N 2 1 282.497 3.269 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000658229365 419691855 /nfs/dbraw/zinc/69/18/55/419691855.db2.gz QYKISKHMRFYGRT-HZPDHXFCSA-N 2 1 294.483 3.331 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000658229365 419691866 /nfs/dbraw/zinc/69/18/66/419691866.db2.gz QYKISKHMRFYGRT-HZPDHXFCSA-N 2 1 294.483 3.331 20 0 CGADMP c1cc2c(cc[nH+]c2N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000663734719 419698996 /nfs/dbraw/zinc/69/89/96/419698996.db2.gz BQXYACKQQNOXFG-GUYCJALGSA-N 2 1 296.418 3.016 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)Nc1[nH+]ccc2[nH]ccc21 ZINC000663914571 419756707 /nfs/dbraw/zinc/75/67/07/419756707.db2.gz AIVUJMBZDNPPOV-LBPRGKRZSA-N 2 1 260.385 3.095 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000658263787 419718788 /nfs/dbraw/zinc/71/87/88/419718788.db2.gz MSEYZYWECDDOBG-IEWDOMPSSA-N 2 1 284.447 3.395 20 0 CGADMP FC1(F)CC12CCC([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000658264228 419720608 /nfs/dbraw/zinc/72/06/08/419720608.db2.gz DOXMMIZKZNJZBP-UHFFFAOYSA-N 2 1 284.394 3.171 20 0 CGADMP Cc1[nH+]c2c(n1C[C@H]1CCCC[N@H+]1C(C)C)CCCC2 ZINC000664048655 419811142 /nfs/dbraw/zinc/81/11/42/419811142.db2.gz MDFLEPMLPRBRKW-OAHLLOKOSA-N 2 1 275.440 3.333 20 0 CGADMP Cc1[nH+]c2c(n1C[C@H]1CCCC[N@@H+]1C(C)C)CCCC2 ZINC000664048655 419811146 /nfs/dbraw/zinc/81/11/46/419811146.db2.gz MDFLEPMLPRBRKW-OAHLLOKOSA-N 2 1 275.440 3.333 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000502685872 292650483 /nfs/dbraw/zinc/65/04/83/292650483.db2.gz KKXNSPAADIIPPY-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390748737 262250808 /nfs/dbraw/zinc/25/08/08/262250808.db2.gz RGDAKOCCSMVFBD-AEFFLSMTSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000221928669 262327863 /nfs/dbraw/zinc/32/78/63/262327863.db2.gz JNTXRSWVTWTASB-RYQLBKOJSA-N 2 1 274.452 3.356 20 0 CGADMP CC(C)CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000390836081 262349730 /nfs/dbraw/zinc/34/97/30/262349730.db2.gz UPNWFZXZOGKABV-QHEDDYRISA-N 2 1 294.483 3.041 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996858 270028592 /nfs/dbraw/zinc/02/85/92/270028592.db2.gz HXKKLKHUIQDGGZ-KBAYOESNSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996858 270028593 /nfs/dbraw/zinc/02/85/93/270028593.db2.gz HXKKLKHUIQDGGZ-KBAYOESNSA-N 2 1 272.436 3.224 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535099 270036041 /nfs/dbraw/zinc/03/60/41/270036041.db2.gz BBADGCCTJQPTSQ-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000044532542 270036058 /nfs/dbraw/zinc/03/60/58/270036058.db2.gz DWCCRTQRYIFQCY-CHWSQXEVSA-N 2 1 266.454 3.303 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044532542 270036060 /nfs/dbraw/zinc/03/60/60/270036060.db2.gz DWCCRTQRYIFQCY-CHWSQXEVSA-N 2 1 266.454 3.303 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000044535627 270036482 /nfs/dbraw/zinc/03/64/82/270036482.db2.gz NGSXPOGZNWYKSL-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000044535623 270036679 /nfs/dbraw/zinc/03/66/79/270036679.db2.gz NGSXPOGZNWYKSL-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCCC2)CC[N@H+]1C ZINC000184576842 270059255 /nfs/dbraw/zinc/05/92/55/270059255.db2.gz HBJSNRPQUGEZPX-HOCLYGCPSA-N 2 1 250.430 3.339 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000186688024 270066998 /nfs/dbraw/zinc/06/69/98/270066998.db2.gz NDWCFPUFIOSQME-KRWDZBQOSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218952485 270085569 /nfs/dbraw/zinc/08/55/69/270085569.db2.gz RTRBEQAHMHFMDQ-OLZOCXBDSA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223110726 270086295 /nfs/dbraw/zinc/08/62/95/270086295.db2.gz DBPSMYUCNBEFBO-USXIJHARSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223110726 270086296 /nfs/dbraw/zinc/08/62/96/270086296.db2.gz DBPSMYUCNBEFBO-USXIJHARSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000322871374 270094300 /nfs/dbraw/zinc/09/43/00/270094300.db2.gz YEPYKAIJMCSZLM-UYTSQGDYSA-N 2 1 250.430 3.170 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000211141891 265907863 /nfs/dbraw/zinc/90/78/63/265907863.db2.gz ZBZPMNIIYMASJA-BLLLJJGKSA-N 2 1 280.843 3.127 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527868216 270140859 /nfs/dbraw/zinc/14/08/59/270140859.db2.gz CPCZMLDFPUAXKK-ARFHVFGLSA-N 2 1 264.457 3.133 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000527921775 270144250 /nfs/dbraw/zinc/14/42/50/270144250.db2.gz UYAINYOKHDIUSA-QAPCUYQASA-N 2 1 274.452 3.315 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@@H]2CCC[C@H]21 ZINC000527981775 270148272 /nfs/dbraw/zinc/14/82/72/270148272.db2.gz RSCCSSCRMWXFRF-LTIDMASMSA-N 2 1 262.441 3.195 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC000528397538 270164167 /nfs/dbraw/zinc/16/41/67/270164167.db2.gz DCUGRSXLMFIWKE-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528397538 270164168 /nfs/dbraw/zinc/16/41/68/270164168.db2.gz DCUGRSXLMFIWKE-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528397538 270164169 /nfs/dbraw/zinc/16/41/69/270164169.db2.gz DCUGRSXLMFIWKE-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000530249279 270197494 /nfs/dbraw/zinc/19/74/94/270197494.db2.gz UOVSZMRYFASFNP-ZBFHGGJFSA-N 2 1 252.446 3.134 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Cl)c1F ZINC000530354848 270199314 /nfs/dbraw/zinc/19/93/14/270199314.db2.gz PEOIWBGVONMKHI-CQSZACIVSA-N 2 1 295.789 3.496 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(C)c2)C[C@@H]1C ZINC000530902543 270203443 /nfs/dbraw/zinc/20/34/43/270203443.db2.gz LENZSJJIQDMJSD-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(C)c2)C[C@@H]1C ZINC000530902543 270203444 /nfs/dbraw/zinc/20/34/44/270203444.db2.gz LENZSJJIQDMJSD-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(C)c2)C[C@@H]1C ZINC000530902543 270203445 /nfs/dbraw/zinc/20/34/45/270203445.db2.gz LENZSJJIQDMJSD-IRXDYDNUSA-N 2 1 290.451 3.178 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000530513206 270200738 /nfs/dbraw/zinc/20/07/38/270200738.db2.gz RPVXBOZCQCWLOZ-WMZOPIPTSA-N 2 1 283.419 3.063 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC000530623412 270201050 /nfs/dbraw/zinc/20/10/50/270201050.db2.gz RBVMZYHWQLUKQF-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000530623412 270201051 /nfs/dbraw/zinc/20/10/51/270201051.db2.gz RBVMZYHWQLUKQF-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000530623412 270201052 /nfs/dbraw/zinc/20/10/52/270201052.db2.gz RBVMZYHWQLUKQF-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000531932288 270211143 /nfs/dbraw/zinc/21/11/43/270211143.db2.gz ZXYVZTPMJXHCHW-QAPCUYQASA-N 2 1 274.452 3.282 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000531950673 270211293 /nfs/dbraw/zinc/21/12/93/270211293.db2.gz UQKATJOYLCXHJN-CUSZFKRNSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1csc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000532290199 270214925 /nfs/dbraw/zinc/21/49/25/270214925.db2.gz LQHUBMFPWASKHG-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594759 287647887 /nfs/dbraw/zinc/64/78/87/287647887.db2.gz KGXHXWRZGQTYCW-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000037786500 273498359 /nfs/dbraw/zinc/49/83/59/273498359.db2.gz RJXYQVBQMATCNB-MRXNPFEDSA-N 2 1 288.435 3.232 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000070171397 274239150 /nfs/dbraw/zinc/23/91/50/274239150.db2.gz BABUHIVGNAPVQY-VXGBXAGGSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000070171397 274239153 /nfs/dbraw/zinc/23/91/53/274239153.db2.gz BABUHIVGNAPVQY-VXGBXAGGSA-N 2 1 286.341 3.265 20 0 CGADMP C([NH2+]C(C1CCC1)C1CCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336813949 275394330 /nfs/dbraw/zinc/39/43/30/275394330.db2.gz VXYGMTSILYGDHW-ZDUSSCGKSA-N 2 1 262.441 3.029 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@@H]1C1CC1 ZINC000414207649 275394662 /nfs/dbraw/zinc/39/46/62/275394662.db2.gz ZPVQHJKICCPWLN-RHSMWYFYSA-N 2 1 262.441 3.029 20 0 CGADMP C([NH2+][C@@H](C1CC1)C1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000453089004 275394904 /nfs/dbraw/zinc/39/49/04/275394904.db2.gz QNMWPHRRKKQOMK-CXAGYDPISA-N 2 1 262.441 3.029 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000514926310 276012134 /nfs/dbraw/zinc/01/21/34/276012134.db2.gz BHXZNFIYFBMRJH-XHSDSOJGSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000514926310 276012136 /nfs/dbraw/zinc/01/21/36/276012136.db2.gz BHXZNFIYFBMRJH-XHSDSOJGSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000464882270 276072836 /nfs/dbraw/zinc/07/28/36/276072836.db2.gz GHIAUHSQSXSWOE-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000464882270 276072837 /nfs/dbraw/zinc/07/28/37/276072837.db2.gz GHIAUHSQSXSWOE-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000464882270 276072838 /nfs/dbraw/zinc/07/28/38/276072838.db2.gz GHIAUHSQSXSWOE-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000449784487 276106089 /nfs/dbraw/zinc/10/60/89/276106089.db2.gz XIZUJMPKMUJBFH-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000449784487 276106092 /nfs/dbraw/zinc/10/60/92/276106092.db2.gz XIZUJMPKMUJBFH-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601706 276180395 /nfs/dbraw/zinc/18/03/95/276180395.db2.gz VJFOYBWZJSLIIS-DOTOQJQBSA-N 2 1 264.457 3.443 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1(C)C ZINC000344150489 276351917 /nfs/dbraw/zinc/35/19/17/276351917.db2.gz XNMHAPMGCAQBPT-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(SC)CCC2)C[C@H]1C ZINC000356139513 276398782 /nfs/dbraw/zinc/39/87/82/276398782.db2.gz SPTYTLZRXAGAFE-KGLIPLIRSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(SC)CCC2)C[C@H]1C ZINC000356139513 276398783 /nfs/dbraw/zinc/39/87/83/276398783.db2.gz SPTYTLZRXAGAFE-KGLIPLIRSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(SC)CCC2)C[C@H]1C ZINC000356139513 276398785 /nfs/dbraw/zinc/39/87/85/276398785.db2.gz SPTYTLZRXAGAFE-KGLIPLIRSA-N 2 1 270.486 3.077 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000401566839 276461666 /nfs/dbraw/zinc/46/16/66/276461666.db2.gz BPWGJWXKNJXJOK-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459416563 276510045 /nfs/dbraw/zinc/51/00/45/276510045.db2.gz CJZFQRUXEMNHKR-JKSUJKDBSA-N 2 1 282.497 3.267 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000430696698 276555662 /nfs/dbraw/zinc/55/56/62/276555662.db2.gz QZWZSAYPHCRAOZ-CPUCHLNUSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449436078 276610982 /nfs/dbraw/zinc/61/09/82/276610982.db2.gz WVUARFNGZKIIMV-KBPBESRZSA-N 2 1 261.413 3.064 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000344317956 277023356 /nfs/dbraw/zinc/02/33/56/277023356.db2.gz FVZAHBXANVWKGJ-MRXNPFEDSA-N 2 1 276.811 3.179 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC000414177500 277052977 /nfs/dbraw/zinc/05/29/77/277052977.db2.gz JEBSZIYRLREVQR-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000414197362 277053313 /nfs/dbraw/zinc/05/33/13/277053313.db2.gz WHTCRDOXEVCLDW-MAUKXSAKSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC(C)(C)C)CC[C@H]21 ZINC000410415841 277068457 /nfs/dbraw/zinc/06/84/57/277068457.db2.gz XLMABJGVXOEWSN-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCC(C)(C)C)CC[C@H]21 ZINC000410415841 277068458 /nfs/dbraw/zinc/06/84/58/277068458.db2.gz XLMABJGVXOEWSN-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC(C)(C)C)CC[C@H]21 ZINC000410415841 277068459 /nfs/dbraw/zinc/06/84/59/277068459.db2.gz XLMABJGVXOEWSN-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336845177 277175969 /nfs/dbraw/zinc/17/59/69/277175969.db2.gz VOULHKSTSXTOLP-KRWDZBQOSA-N 2 1 296.499 3.245 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCC3CCCCCC3)C2)C1 ZINC000430163092 277185544 /nfs/dbraw/zinc/18/55/44/277185544.db2.gz KKZUJYLHYMSWEV-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC000430163092 277185545 /nfs/dbraw/zinc/18/55/45/277185545.db2.gz KKZUJYLHYMSWEV-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC000430163092 277185546 /nfs/dbraw/zinc/18/55/46/277185546.db2.gz KKZUJYLHYMSWEV-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000488434649 277244543 /nfs/dbraw/zinc/24/45/43/277244543.db2.gz JPNSMBICPPEAAV-XGUBFFRZSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CS1 ZINC000488434649 277244544 /nfs/dbraw/zinc/24/45/44/277244544.db2.gz JPNSMBICPPEAAV-XGUBFFRZSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442876904 277346256 /nfs/dbraw/zinc/34/62/56/277346256.db2.gz SIPVTGXJUGFACI-UHFFFAOYSA-N 2 1 297.531 3.063 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000494329253 277392082 /nfs/dbraw/zinc/39/20/82/277392082.db2.gz FHKATPHHVGIYGE-GTPINHCMSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000311237118 278025568 /nfs/dbraw/zinc/02/55/68/278025568.db2.gz WXGXVTZXHNNYKQ-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000227165276 278200977 /nfs/dbraw/zinc/20/09/77/278200977.db2.gz GVEANOWEEIIWSO-CABCVRRESA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000227165276 278200979 /nfs/dbraw/zinc/20/09/79/278200979.db2.gz GVEANOWEEIIWSO-CABCVRRESA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2sccc2Cl)C[C@H]1C[NH3+] ZINC000397321362 288023037 /nfs/dbraw/zinc/02/30/37/288023037.db2.gz STGSIWSUUHNWRD-OUAUKWLOSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2sccc2Cl)C[C@H]1C[NH3+] ZINC000397321362 288023040 /nfs/dbraw/zinc/02/30/40/288023040.db2.gz STGSIWSUUHNWRD-OUAUKWLOSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000447582001 278225059 /nfs/dbraw/zinc/22/50/59/278225059.db2.gz VSUDJICWVGUJHA-LZWOXQAQSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000447582001 278225060 /nfs/dbraw/zinc/22/50/60/278225060.db2.gz VSUDJICWVGUJHA-LZWOXQAQSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000177220749 278257409 /nfs/dbraw/zinc/25/74/09/278257409.db2.gz RRJRFTCJFLIUBS-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC1(C)C ZINC000397737044 288028643 /nfs/dbraw/zinc/02/86/43/288028643.db2.gz GWXMFYRYILLBMW-WCVJEAGWSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252772930 278310435 /nfs/dbraw/zinc/31/04/35/278310435.db2.gz MIJODKQWKSVSLR-LOWVWBTDSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422748 278323892 /nfs/dbraw/zinc/32/38/92/278323892.db2.gz GOFDSEOPPXCPON-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422748 278323893 /nfs/dbraw/zinc/32/38/93/278323893.db2.gz GOFDSEOPPXCPON-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337529388 278342038 /nfs/dbraw/zinc/34/20/38/278342038.db2.gz UCSHQDVRZVYJAM-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000245549996 278343889 /nfs/dbraw/zinc/34/38/89/278343889.db2.gz ZZSFAQZFMDMBNY-IXDOHACOSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H](C)[NH3+] ZINC000423434609 278374644 /nfs/dbraw/zinc/37/46/44/278374644.db2.gz DBTNTEXKJQSXCW-JOAULVNJSA-N 2 1 273.207 3.306 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459385170 288086757 /nfs/dbraw/zinc/08/67/57/288086757.db2.gz FZGNGUICQRTAJZ-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000163404941 279132984 /nfs/dbraw/zinc/13/29/84/279132984.db2.gz XASXLKIHGDVHNI-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CCC2 ZINC000490227000 288117514 /nfs/dbraw/zinc/11/75/14/288117514.db2.gz JYNQIIKUJIKFHL-JLSDUUJJSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CCC2 ZINC000490227000 288117518 /nfs/dbraw/zinc/11/75/18/288117518.db2.gz JYNQIIKUJIKFHL-JLSDUUJJSA-N 2 1 272.436 3.302 20 0 CGADMP CCCCC[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000521894020 288142447 /nfs/dbraw/zinc/14/24/47/288142447.db2.gz FVOJJZGUNXHSIA-OAHLLOKOSA-N 2 1 263.429 3.397 20 0 CGADMP CCCCC[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000521894020 288142448 /nfs/dbraw/zinc/14/24/48/288142448.db2.gz FVOJJZGUNXHSIA-OAHLLOKOSA-N 2 1 263.429 3.397 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C12CCCC2 ZINC000423260402 279874606 /nfs/dbraw/zinc/87/46/06/279874606.db2.gz HIYUITCFBJOSGJ-YESZJQIVSA-N 2 1 294.483 3.221 20 0 CGADMP C/C(Cl)=C\C[N@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000528460066 288201742 /nfs/dbraw/zinc/20/17/42/288201742.db2.gz QMUSDJPEMLEHIO-WEKMIXOTSA-N 2 1 293.842 3.460 20 0 CGADMP C/C(Cl)=C\C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000528460066 288201744 /nfs/dbraw/zinc/20/17/44/288201744.db2.gz QMUSDJPEMLEHIO-WEKMIXOTSA-N 2 1 293.842 3.460 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000445904333 280229467 /nfs/dbraw/zinc/22/94/67/280229467.db2.gz PSQILVOGKXJTHE-NEPJUHHUSA-N 2 1 266.351 3.037 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000530410806 288305719 /nfs/dbraw/zinc/30/57/19/288305719.db2.gz MJIPOJSTTPPUBP-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000530410806 288305721 /nfs/dbraw/zinc/30/57/21/288305721.db2.gz MJIPOJSTTPPUBP-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000530410806 288305723 /nfs/dbraw/zinc/30/57/23/288305723.db2.gz MJIPOJSTTPPUBP-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420298405 281354673 /nfs/dbraw/zinc/35/46/73/281354673.db2.gz FEBTZNNEPMOSSY-HZPDHXFCSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000133428049 281354747 /nfs/dbraw/zinc/35/47/47/281354747.db2.gz WNZGKESAWODARL-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000133428049 281354748 /nfs/dbraw/zinc/35/47/48/281354748.db2.gz WNZGKESAWODARL-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133428049 281354749 /nfs/dbraw/zinc/35/47/49/281354749.db2.gz WNZGKESAWODARL-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133428049 281354750 /nfs/dbraw/zinc/35/47/50/281354750.db2.gz WNZGKESAWODARL-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2C)[C@@H](C)C1 ZINC000532471383 288363122 /nfs/dbraw/zinc/36/31/22/288363122.db2.gz XNQFKYRYUBQHST-IRXDYDNUSA-N 2 1 290.451 3.002 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)CCC2 ZINC000331761484 282035752 /nfs/dbraw/zinc/03/57/52/282035752.db2.gz BWEFFAILLMNNPB-GJZGRUSLSA-N 2 1 293.480 3.326 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CCCC1 ZINC000502286692 282044276 /nfs/dbraw/zinc/04/42/76/282044276.db2.gz XZQRVMUOQVGJNI-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+]1CCC([NH2+]CC(C)(C)c2c(F)cccc2Cl)CC1 ZINC000537986431 288557496 /nfs/dbraw/zinc/55/74/96/288557496.db2.gz HPXUCAZESSLKNP-UHFFFAOYSA-N 2 1 298.833 3.441 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000549845504 289056456 /nfs/dbraw/zinc/05/64/56/289056456.db2.gz LTJWAMZQRHKDTH-LSDHHAIUSA-N 2 1 252.446 3.086 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC=C(C)CC2)[C@H](C)C1 ZINC000550887237 289088487 /nfs/dbraw/zinc/08/84/87/289088487.db2.gz XIANUQNQWJVORV-KURKYZTESA-N 2 1 294.483 3.212 20 0 CGADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000551145811 289100166 /nfs/dbraw/zinc/10/01/66/289100166.db2.gz XBWFIDAHWFVLDY-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1(C)C ZINC000552067036 289158102 /nfs/dbraw/zinc/15/81/02/289158102.db2.gz YZMARPZGEFSZSZ-OVYGPGRDSA-N 2 1 294.483 3.041 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554090439 289257695 /nfs/dbraw/zinc/25/76/95/289257695.db2.gz RJPTXJKNCIJKMK-HNKHHVNMSA-N 2 1 294.389 3.140 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554090439 289257696 /nfs/dbraw/zinc/25/76/96/289257696.db2.gz RJPTXJKNCIJKMK-HNKHHVNMSA-N 2 1 294.389 3.140 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3C=CCCCCC3)CC[C@H]21 ZINC000555379296 289342520 /nfs/dbraw/zinc/34/25/20/289342520.db2.gz AUZODJFXMRZDNQ-IXDOHACOSA-N 2 1 262.441 3.291 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3C=CCCCCC3)CC[C@H]21 ZINC000555379296 289342524 /nfs/dbraw/zinc/34/25/24/289342524.db2.gz AUZODJFXMRZDNQ-IXDOHACOSA-N 2 1 262.441 3.291 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3C=CCCCCC3)CC[C@H]21 ZINC000555379296 289342526 /nfs/dbraw/zinc/34/25/26/289342526.db2.gz AUZODJFXMRZDNQ-IXDOHACOSA-N 2 1 262.441 3.291 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3C=CCCCCC3)CC[C@H]21 ZINC000555379296 289342529 /nfs/dbraw/zinc/34/25/29/289342529.db2.gz AUZODJFXMRZDNQ-IXDOHACOSA-N 2 1 262.441 3.291 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252164233 290245706 /nfs/dbraw/zinc/24/57/06/290245706.db2.gz QFYJCFHAADKIMS-UTUOFQBUSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252164233 290245707 /nfs/dbraw/zinc/24/57/07/290245707.db2.gz QFYJCFHAADKIMS-UTUOFQBUSA-N 2 1 297.240 3.179 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CSCCc3ccccc32)CCCCC1 ZINC000423181696 295209807 /nfs/dbraw/zinc/20/98/07/295209807.db2.gz PHKRXBCLSOMBKN-INIZCTEOSA-N 2 1 290.476 3.268 20 0 CGADMP [NH3+]CCOCC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000357075420 295234984 /nfs/dbraw/zinc/23/49/84/295234984.db2.gz HRCNRJQYEXNZES-MRXNPFEDSA-N 2 1 296.842 3.232 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414672148 295316111 /nfs/dbraw/zinc/31/61/11/295316111.db2.gz ACXBZMWHRBSHMU-RKVPGOIHSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423385089 297108252 /nfs/dbraw/zinc/10/82/52/297108252.db2.gz GHCSDMVGXNCVNV-UGFHNGPFSA-N 2 1 294.826 3.141 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000422804241 301807236 /nfs/dbraw/zinc/80/72/36/301807236.db2.gz DZCPCLSYNUGNLK-COXVUDFISA-N 2 1 258.409 3.176 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423177261 301893716 /nfs/dbraw/zinc/89/37/16/301893716.db2.gz ISULJPSSPHIQDS-MRXNPFEDSA-N 2 1 288.435 3.460 20 0 CGADMP FC1(F)CCC[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000420396611 303126044 /nfs/dbraw/zinc/12/60/44/303126044.db2.gz LZKDDFQKURUONY-KKUMJFAQSA-N 2 1 286.410 3.276 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)C1CCCC1 ZINC000423505841 303393729 /nfs/dbraw/zinc/39/37/29/303393729.db2.gz HJVQCLKOIVSADT-LSDHHAIUSA-N 2 1 294.439 3.470 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCC12CCCC2)C1CCCCC1 ZINC000423260895 303393961 /nfs/dbraw/zinc/39/39/61/303393961.db2.gz IQRPWISNNVMWED-CABCVRRESA-N 2 1 250.430 3.206 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000582861625 329278019 /nfs/dbraw/zinc/27/80/19/329278019.db2.gz PFQQFDUQKZRKNV-PMPSAXMXSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH+](CC)CC)c1ccccn1 ZINC000158440846 321815965 /nfs/dbraw/zinc/81/59/65/321815965.db2.gz PMTZSGBOTWWNHA-OAHLLOKOSA-N 2 1 263.429 3.244 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)c(F)c1 ZINC000401753079 321969429 /nfs/dbraw/zinc/96/94/29/321969429.db2.gz PHVTYSBIIUXZCF-JTQLQIEISA-N 2 1 281.762 3.106 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000563822817 322011707 /nfs/dbraw/zinc/01/17/07/322011707.db2.gz ITXPPMWIOJYBRL-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000563822817 322011711 /nfs/dbraw/zinc/01/17/11/322011711.db2.gz ITXPPMWIOJYBRL-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCOc1ccc(Cl)cc1 ZINC000564989294 322052631 /nfs/dbraw/zinc/05/26/31/322052631.db2.gz GZHOGBRAKWHIKS-OAHLLOKOSA-N 2 1 284.831 3.072 20 0 CGADMP CC[C@H](C[NH2+]CCc1ccc(F)cc1Cl)[NH+]1CCCC1 ZINC000565925368 322097170 /nfs/dbraw/zinc/09/71/70/322097170.db2.gz YZPKSSBLFOPMCB-OAHLLOKOSA-N 2 1 298.833 3.486 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000566088115 322103622 /nfs/dbraw/zinc/10/36/22/322103622.db2.gz AHAFEWCBZIMWMB-AWEZNQCLSA-N 2 1 266.816 3.434 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000567724002 322174846 /nfs/dbraw/zinc/17/48/46/322174846.db2.gz NUHUOANEBDLDND-CABCVRRESA-N 2 1 258.365 3.182 20 0 CGADMP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000568183324 322197194 /nfs/dbraw/zinc/19/71/94/322197194.db2.gz QPHKZPADCKAKRM-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000568183324 322197196 /nfs/dbraw/zinc/19/71/96/322197196.db2.gz QPHKZPADCKAKRM-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569605542 322251776 /nfs/dbraw/zinc/25/17/76/322251776.db2.gz MBZKCDSHHFBUET-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569605542 322251778 /nfs/dbraw/zinc/25/17/78/322251778.db2.gz MBZKCDSHHFBUET-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000570760680 322281649 /nfs/dbraw/zinc/28/16/49/322281649.db2.gz NJNROOMMPHJMCU-AFAVFJNCSA-N 2 1 285.391 3.009 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@H](C)C[NH+](C)C)c2c1 ZINC000570797340 322282382 /nfs/dbraw/zinc/28/23/82/322282382.db2.gz ZILWZMVCACJASN-ZDUSSCGKSA-N 2 1 257.381 3.153 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000571216230 322293223 /nfs/dbraw/zinc/29/32/23/322293223.db2.gz DQAHHDPQABLVJI-XHSDSOJGSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000571216230 322293225 /nfs/dbraw/zinc/29/32/25/322293225.db2.gz DQAHHDPQABLVJI-XHSDSOJGSA-N 2 1 252.446 3.297 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccsc1 ZINC000571687221 322305274 /nfs/dbraw/zinc/30/52/74/322305274.db2.gz FRNULVUWBACCII-CQSZACIVSA-N 2 1 268.470 3.343 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCCn2ccnc2C)s1 ZINC000572205291 322324612 /nfs/dbraw/zinc/32/46/12/322324612.db2.gz BNYZBTJHYJFRNP-UHFFFAOYSA-N 2 1 277.437 3.338 20 0 CGADMP CCc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000572205291 322324616 /nfs/dbraw/zinc/32/46/16/322324616.db2.gz BNYZBTJHYJFRNP-UHFFFAOYSA-N 2 1 277.437 3.338 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000572205291 322324618 /nfs/dbraw/zinc/32/46/18/322324618.db2.gz BNYZBTJHYJFRNP-UHFFFAOYSA-N 2 1 277.437 3.338 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000572625718 322347259 /nfs/dbraw/zinc/34/72/59/322347259.db2.gz UGPMRDILGSWKTB-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000572625718 322347262 /nfs/dbraw/zinc/34/72/62/322347262.db2.gz UGPMRDILGSWKTB-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000572625718 322347265 /nfs/dbraw/zinc/34/72/65/322347265.db2.gz UGPMRDILGSWKTB-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000572648087 322348520 /nfs/dbraw/zinc/34/85/20/322348520.db2.gz NJMBBUGTVNLRSY-IYXRBSQSSA-N 2 1 274.399 3.130 20 0 CGADMP Fc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000582578304 329110205 /nfs/dbraw/zinc/11/02/05/329110205.db2.gz VIYHBLKFMYHKQN-CVEARBPZSA-N 2 1 296.817 3.238 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C)CC ZINC000191506191 330144272 /nfs/dbraw/zinc/14/42/72/330144272.db2.gz ZPRJHMMWGQMGIR-CQSZACIVSA-N 2 1 251.418 3.204 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C)CC ZINC000191506191 330144274 /nfs/dbraw/zinc/14/42/74/330144274.db2.gz ZPRJHMMWGQMGIR-CQSZACIVSA-N 2 1 251.418 3.204 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192824004 335307774 /nfs/dbraw/zinc/30/77/74/335307774.db2.gz YDAHDFLEXYSHDO-RDTXWAMCSA-N 2 1 298.434 3.364 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000577561331 335368785 /nfs/dbraw/zinc/36/87/85/335368785.db2.gz KHGNNOABTBYVHR-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000195653536 336057578 /nfs/dbraw/zinc/05/75/78/336057578.db2.gz PJTIWHGSFAEBOU-CXTNYUCXSA-N 2 1 276.468 3.133 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000381536060 336067636 /nfs/dbraw/zinc/06/76/36/336067636.db2.gz QQFVXCIADWVMEX-PBMMVSLJSA-N 2 1 264.457 3.275 20 0 CGADMP c1ccc(CCC[C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000581671842 336125982 /nfs/dbraw/zinc/12/59/82/336125982.db2.gz LCNLAHKXCAOYQT-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000384861093 336132978 /nfs/dbraw/zinc/13/29/78/336132978.db2.gz DJUILYJRTGADHD-AVOUXACISA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000384861093 336132980 /nfs/dbraw/zinc/13/29/80/336132980.db2.gz DJUILYJRTGADHD-AVOUXACISA-N 2 1 252.446 3.416 20 0 CGADMP Cc1ccc(CCC[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000581951390 336178172 /nfs/dbraw/zinc/17/81/72/336178172.db2.gz ACAFZIRADRTWMT-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1ccc(CCC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000581951390 336178173 /nfs/dbraw/zinc/17/81/73/336178173.db2.gz ACAFZIRADRTWMT-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1ccc(CCC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC000581951390 336178174 /nfs/dbraw/zinc/17/81/74/336178174.db2.gz ACAFZIRADRTWMT-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1ccc(CCC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000581951390 336178176 /nfs/dbraw/zinc/17/81/76/336178176.db2.gz ACAFZIRADRTWMT-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1ccc(CCC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000581951390 336178177 /nfs/dbraw/zinc/17/81/77/336178177.db2.gz ACAFZIRADRTWMT-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H](C[NH+]1CCC2(CC[NH2+]2)CC1)c1cccc(Cl)c1 ZINC000422559615 533808088 /nfs/dbraw/zinc/80/80/88/533808088.db2.gz DLLBSRCGUQMXPD-ZDUSSCGKSA-N 2 1 278.827 3.271 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000423358709 533865944 /nfs/dbraw/zinc/86/59/44/533865944.db2.gz JUNOXLHKNVQOQK-CMPLNLGQSA-N 2 1 270.779 3.272 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425949011 533885093 /nfs/dbraw/zinc/88/50/93/533885093.db2.gz DEDNDVDVOWOYLV-NWDGAFQWSA-N 2 1 284.831 3.197 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCCC[C@H]3[NH3+])oc21 ZINC000424370649 533911713 /nfs/dbraw/zinc/91/17/13/533911713.db2.gz DVFYGQRXHPDTBU-IACUBPJLSA-N 2 1 288.391 3.362 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cnn1C(C)C ZINC000414196021 533942896 /nfs/dbraw/zinc/94/28/96/533942896.db2.gz UXZAYFFNVATBBR-ZBFHGGJFSA-N 2 1 292.471 3.155 20 0 CGADMP COc1cc(F)cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000449241087 534007043 /nfs/dbraw/zinc/00/70/43/534007043.db2.gz QXHGBBTXPRGBPA-AWEZNQCLSA-N 2 1 294.414 3.188 20 0 CGADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)C(C)(C)C ZINC000451442306 535703237 /nfs/dbraw/zinc/70/32/37/535703237.db2.gz VISUIGHXMKUGRZ-AWEZNQCLSA-N 2 1 251.418 3.386 20 0 CGADMP CCS[C@H]1CC[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000125299466 535728633 /nfs/dbraw/zinc/72/86/33/535728633.db2.gz AXEMZAYEJZKDFI-GJZGRUSLSA-N 2 1 281.469 3.188 20 0 CGADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000125299466 535728636 /nfs/dbraw/zinc/72/86/36/535728636.db2.gz AXEMZAYEJZKDFI-GJZGRUSLSA-N 2 1 281.469 3.188 20 0 CGADMP C[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000086670209 534181305 /nfs/dbraw/zinc/18/13/05/534181305.db2.gz XXCPQKQKZVNNPV-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094826316 519673162 /nfs/dbraw/zinc/67/31/62/519673162.db2.gz GYUZUPSVLHLWFQ-GFCCVEGCSA-N 2 1 282.378 3.488 20 0 CGADMP c1cc(-c2ccccc2)oc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415067252 534464641 /nfs/dbraw/zinc/46/46/41/534464641.db2.gz KHEIZCDTYMSWIH-UHFFFAOYSA-N 2 1 270.376 3.178 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414169653 534481550 /nfs/dbraw/zinc/48/15/50/534481550.db2.gz BGNQPURUZXWOOD-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP c1csc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415087057 534517538 /nfs/dbraw/zinc/51/75/38/534517538.db2.gz SZGBIIWQVZHPDL-NVXWUHKLSA-N 2 1 286.444 3.374 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000163379736 521581159 /nfs/dbraw/zinc/58/11/59/521581159.db2.gz LXEAHVOGXATYHN-NSHDSACASA-N 2 1 266.351 3.181 20 0 CGADMP CC[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000054468848 521995813 /nfs/dbraw/zinc/99/58/13/521995813.db2.gz LDZWHHYVOQIWQT-MRXNPFEDSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000049529305 522812896 /nfs/dbraw/zinc/81/28/96/522812896.db2.gz FMEVFLLDUPVSBK-WTUNAVPPSA-N 2 1 264.438 3.414 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000414800417 534675732 /nfs/dbraw/zinc/67/57/32/534675732.db2.gz KTMHETDOUJOBHJ-OAHLLOKOSA-N 2 1 290.407 3.381 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c2cccnc12)CC(C)(C)C[NH3+] ZINC000157546226 523222269 /nfs/dbraw/zinc/22/22/69/523222269.db2.gz UOSSOKZMRKQIPH-UHFFFAOYSA-N 2 1 291.826 3.305 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000049551724 524164166 /nfs/dbraw/zinc/16/41/66/524164166.db2.gz VVVAPWDCSTYCCJ-SNVBAGLBSA-N 2 1 275.223 3.423 20 0 CGADMP Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1C ZINC000050499408 524429313 /nfs/dbraw/zinc/42/93/13/524429313.db2.gz SRDWSRLHIZFHCJ-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156567022 525889772 /nfs/dbraw/zinc/88/97/72/525889772.db2.gz HFIFBXQSNJZNCS-FRRDWIJNSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156567022 525889788 /nfs/dbraw/zinc/88/97/88/525889788.db2.gz HFIFBXQSNJZNCS-FRRDWIJNSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)n1 ZINC000155822848 527308361 /nfs/dbraw/zinc/30/83/61/527308361.db2.gz CCDWUJBBYARPGH-AWEZNQCLSA-N 2 1 292.471 3.253 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000161615957 527397175 /nfs/dbraw/zinc/39/71/75/527397175.db2.gz PIZNRQUBDMLXBI-MRXNPFEDSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000161615957 527397180 /nfs/dbraw/zinc/39/71/80/527397180.db2.gz PIZNRQUBDMLXBI-MRXNPFEDSA-N 2 1 261.413 3.236 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000436468736 527629463 /nfs/dbraw/zinc/62/94/63/527629463.db2.gz FZXZRUCXTDCCOC-WUCCLRPBSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000436468736 527629469 /nfs/dbraw/zinc/62/94/69/527629469.db2.gz FZXZRUCXTDCCOC-WUCCLRPBSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449018425 527733133 /nfs/dbraw/zinc/73/31/33/527733133.db2.gz NELRAQSNYCIWMH-UHFFFAOYSA-N 2 1 272.392 3.395 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000436297333 527766320 /nfs/dbraw/zinc/76/63/20/527766320.db2.gz MESYKTUYRUMABJ-IAGOWNOFSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000358307286 528061779 /nfs/dbraw/zinc/06/17/79/528061779.db2.gz WQDLQQLOXLXVJR-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1(C)C ZINC000423271133 528062483 /nfs/dbraw/zinc/06/24/83/528062483.db2.gz XHKMQJXAJVAKIW-BZUAXINKSA-N 2 1 282.472 3.076 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423283737 528207365 /nfs/dbraw/zinc/20/73/65/528207365.db2.gz XLQOYQWVOXQYLX-XJKSGUPXSA-N 2 1 264.413 3.108 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)C2CCCC2)C1 ZINC000449095362 528255307 /nfs/dbraw/zinc/25/53/07/528255307.db2.gz XYEYENKWIPDWTO-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2cccnc2o1 ZINC000449326410 528450168 /nfs/dbraw/zinc/45/01/68/528450168.db2.gz VNOSKGKQUUAGEF-UHFFFAOYSA-N 2 1 287.407 3.136 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2cccnc2o1 ZINC000449326410 528450173 /nfs/dbraw/zinc/45/01/73/528450173.db2.gz VNOSKGKQUUAGEF-UHFFFAOYSA-N 2 1 287.407 3.136 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449099004 528462047 /nfs/dbraw/zinc/46/20/47/528462047.db2.gz LVZJWCRITMXKFN-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423279434 528517914 /nfs/dbraw/zinc/51/79/14/528517914.db2.gz SMFJIWFVFLWNOQ-SMDDNHRTSA-N 2 1 299.256 3.473 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000423272139 528520108 /nfs/dbraw/zinc/52/01/08/528520108.db2.gz YRUWTWHJDJAWFQ-GVDBMIGSSA-N 2 1 260.425 3.286 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423268986 528533982 /nfs/dbraw/zinc/53/39/82/528533982.db2.gz GSSCRCZCPDNLCE-KDOFPFPSSA-N 2 1 283.419 3.383 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423463174 528690567 /nfs/dbraw/zinc/69/05/67/528690567.db2.gz LFMJNALBLHKJCL-RDBSUJKOSA-N 2 1 264.413 3.252 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367999229 528896559 /nfs/dbraw/zinc/89/65/59/528896559.db2.gz UAXLLOQIXLHCER-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000423298899 528958246 /nfs/dbraw/zinc/95/82/46/528958246.db2.gz PCXUAPKHWXOYKY-ZACQAIPSSA-N 2 1 260.425 3.430 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCOC(C)(C)C)CC1 ZINC000354868532 528991500 /nfs/dbraw/zinc/99/15/00/528991500.db2.gz DNBSVTSYJMPTDF-UHFFFAOYSA-N 2 1 284.488 3.386 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436279055 529050787 /nfs/dbraw/zinc/05/07/87/529050787.db2.gz GQSVTTTZMNXWKL-ZDUSSCGKSA-N 2 1 289.398 3.129 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424373362 529252608 /nfs/dbraw/zinc/25/26/08/529252608.db2.gz XSWYHMMXQDQGIS-HUUCEWRRSA-N 2 1 264.438 3.158 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506401 529255524 /nfs/dbraw/zinc/25/55/24/529255524.db2.gz JXQBXGYRPJNVID-INIZCTEOSA-N 2 1 294.389 3.491 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423263588 529257914 /nfs/dbraw/zinc/25/79/14/529257914.db2.gz BDKKBCCRCXPIKS-JSGCOSHPSA-N 2 1 266.454 3.433 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000485709872 534947012 /nfs/dbraw/zinc/94/70/12/534947012.db2.gz GIMQJQFGVCNUJL-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000485709872 534947024 /nfs/dbraw/zinc/94/70/24/534947024.db2.gz GIMQJQFGVCNUJL-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000123649880 535064847 /nfs/dbraw/zinc/06/48/47/535064847.db2.gz VEDIHIPODIUQDJ-CQSZACIVSA-N 2 1 254.805 3.145 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2cccc(C)c2)CC1 ZINC000481107973 535457149 /nfs/dbraw/zinc/45/71/49/535457149.db2.gz AXZMCNAFWMMWMS-UHFFFAOYSA-N 2 1 274.452 3.344 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2cccc(C)c2)CC1 ZINC000481107973 535457154 /nfs/dbraw/zinc/45/71/54/535457154.db2.gz AXZMCNAFWMMWMS-UHFFFAOYSA-N 2 1 274.452 3.344 20 0 CGADMP CCC[C@@]1(C)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000124784078 535552467 /nfs/dbraw/zinc/55/24/67/535552467.db2.gz DOXPMXHBBSZROD-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@@]1(C)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000124784078 535552473 /nfs/dbraw/zinc/55/24/73/535552473.db2.gz DOXPMXHBBSZROD-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@@]1(C)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124784078 535552475 /nfs/dbraw/zinc/55/24/75/535552475.db2.gz DOXPMXHBBSZROD-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000086119569 535803778 /nfs/dbraw/zinc/80/37/78/535803778.db2.gz PNUKNMPFTOBJOF-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCOC1 ZINC000123975264 535919426 /nfs/dbraw/zinc/91/94/26/535919426.db2.gz XDUVTENRSKWJDD-MSOLQXFVSA-N 2 1 290.451 3.043 20 0 CGADMP CC[C@@H]1C[C@]1([NH2+]CCc1c[nH+]cn1C)c1cccc(C)c1 ZINC000459449966 535923662 /nfs/dbraw/zinc/92/36/62/535923662.db2.gz NRXYCJBABGFHGI-CRAIPNDOSA-N 2 1 283.419 3.186 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125313828 536060834 /nfs/dbraw/zinc/06/08/34/536060834.db2.gz IETSKLZXCFPPBD-PQEBFOHHSA-N 2 1 276.399 3.336 20 0 CGADMP C(=C\C[N@H+]1C[C@@H]2CCC[C@@H]2C1)\C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000255373495 571673025 /nfs/dbraw/zinc/67/30/25/571673025.db2.gz LMKSEZKJCGRMOS-ASNBQMLHSA-N 2 1 274.452 3.006 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000226013524 572343658 /nfs/dbraw/zinc/34/36/58/572343658.db2.gz FKYGUGAMZSXCKS-RDJZCZTQSA-N 2 1 276.424 3.035 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222933123 572362037 /nfs/dbraw/zinc/36/20/37/572362037.db2.gz KLUBPHPXUDDATI-VHSSKADRSA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222933123 572362040 /nfs/dbraw/zinc/36/20/40/572362040.db2.gz KLUBPHPXUDDATI-VHSSKADRSA-N 2 1 288.435 3.002 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000926487442 618709452 /nfs/dbraw/zinc/70/94/52/618709452.db2.gz VQJMJQCSSHGVFP-DYDDAFRHSA-N 2 1 294.483 3.187 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154782531 618830497 /nfs/dbraw/zinc/83/04/97/618830497.db2.gz WRCJEDKIZHFESR-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000892584280 618867808 /nfs/dbraw/zinc/86/78/08/618867808.db2.gz IFUCUHWNUFGVEN-HNNXBMFYSA-N 2 1 294.439 3.280 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CCc1ccc(C)c(C)c1 ZINC000892623902 618877776 /nfs/dbraw/zinc/87/77/76/618877776.db2.gz RMZODUYZBSSYMB-UHFFFAOYSA-N 2 1 271.408 3.031 20 0 CGADMP CCC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926780570 618887700 /nfs/dbraw/zinc/88/77/00/618887700.db2.gz DVHVZZNGTXUNCC-MQVJKMGUSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CC(C)C)nc2)C1 ZINC000892668005 618893919 /nfs/dbraw/zinc/89/39/19/618893919.db2.gz GPOOKYCRKSOCFJ-KRWDZBQOSA-N 2 1 289.467 3.102 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CC(C)C)nc2)C1 ZINC000892668005 618893921 /nfs/dbraw/zinc/89/39/21/618893921.db2.gz GPOOKYCRKSOCFJ-KRWDZBQOSA-N 2 1 289.467 3.102 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000892964201 618965282 /nfs/dbraw/zinc/96/52/82/618965282.db2.gz MPHFYIXHVWHTGR-HMQMGEFJSA-N 2 1 287.451 3.302 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000892964201 618965286 /nfs/dbraw/zinc/96/52/86/618965286.db2.gz MPHFYIXHVWHTGR-HMQMGEFJSA-N 2 1 287.451 3.302 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CC=CCC1 ZINC000020088813 618975290 /nfs/dbraw/zinc/97/52/90/618975290.db2.gz OYYURBNGNNYOQQ-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000053155360 618988877 /nfs/dbraw/zinc/98/88/77/618988877.db2.gz TYOMMKRHTQVBGR-UHFFFAOYSA-N 2 1 284.806 3.442 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000925678695 619127858 /nfs/dbraw/zinc/12/78/58/619127858.db2.gz WKBBEKCNKQRPHA-GRGSLBFTSA-N 2 1 280.415 3.468 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000312975702 619160217 /nfs/dbraw/zinc/16/02/17/619160217.db2.gz VSUFATOFFNEOIM-JKSUJKDBSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000312975702 619160219 /nfs/dbraw/zinc/16/02/19/619160219.db2.gz VSUFATOFFNEOIM-JKSUJKDBSA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000925780066 619242879 /nfs/dbraw/zinc/24/28/79/619242879.db2.gz RKKOYYSWAPFAGP-TZMCWYRMSA-N 2 1 286.341 3.111 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000925802298 619254808 /nfs/dbraw/zinc/25/48/08/619254808.db2.gz LESDKSPOIICFGQ-VZEFYGNVSA-N 2 1 258.409 3.101 20 0 CGADMP C[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000261457212 619269643 /nfs/dbraw/zinc/26/96/43/619269643.db2.gz OHBQNIVFAIMLSH-IYBDPMFKSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](C)C2)C1 ZINC000261457212 619269647 /nfs/dbraw/zinc/26/96/47/619269647.db2.gz OHBQNIVFAIMLSH-IYBDPMFKSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](C)C2)C1 ZINC000261457212 619269651 /nfs/dbraw/zinc/26/96/51/619269651.db2.gz OHBQNIVFAIMLSH-IYBDPMFKSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261571928 619289109 /nfs/dbraw/zinc/28/91/09/619289109.db2.gz SECRUWDOIWAGHY-BPUTZDHNSA-N 2 1 278.827 3.208 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2cccnc21 ZINC000925872673 619302091 /nfs/dbraw/zinc/30/20/91/619302091.db2.gz WZABUQMEEBXHJH-PVAVHDDUSA-N 2 1 287.451 3.359 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000893940960 619336522 /nfs/dbraw/zinc/33/65/22/619336522.db2.gz UGBDHMYVRDCZGJ-UHFFFAOYSA-N 2 1 292.471 3.087 20 0 CGADMP Cc1ncoc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000894157999 619395644 /nfs/dbraw/zinc/39/56/44/619395644.db2.gz MEIMBXCVPFIOTF-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261975179 619510263 /nfs/dbraw/zinc/51/02/63/619510263.db2.gz IQKCYMGLCFWAIV-UHFFFAOYSA-N 2 1 290.476 3.374 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](C/C=C/c2cccc(F)c2)CC1 ZINC000894564789 619577023 /nfs/dbraw/zinc/57/70/23/619577023.db2.gz AADVYXKKHVFAEJ-PFWMLDTASA-N 2 1 276.399 3.255 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C/c2cccc(F)c2)CC1 ZINC000894564789 619577031 /nfs/dbraw/zinc/57/70/31/619577031.db2.gz AADVYXKKHVFAEJ-PFWMLDTASA-N 2 1 276.399 3.255 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2nccc3ccccc32)C1 ZINC000894783874 619634972 /nfs/dbraw/zinc/63/49/72/619634972.db2.gz ZJGZIMKBWSCOJY-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000895685479 619872611 /nfs/dbraw/zinc/87/26/11/619872611.db2.gz MDYWWCTZXIJTGE-UHFFFAOYSA-N 2 1 264.413 3.286 20 0 CGADMP CC(C)C[C@H](C)C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896724643 620050289 /nfs/dbraw/zinc/05/02/89/620050289.db2.gz WMAHHKODTTYEQK-RDJZCZTQSA-N 2 1 277.456 3.346 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000262382368 620091627 /nfs/dbraw/zinc/09/16/27/620091627.db2.gz YWQUTVYPSVTLAR-RTBURBONSA-N 2 1 296.414 3.458 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000925204028 620229004 /nfs/dbraw/zinc/22/90/04/620229004.db2.gz JHZJUQZMUNDSFA-SJLPKXTDSA-N 2 1 289.467 3.114 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000925204028 620229005 /nfs/dbraw/zinc/22/90/05/620229005.db2.gz JHZJUQZMUNDSFA-SJLPKXTDSA-N 2 1 289.467 3.114 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000897417257 620297018 /nfs/dbraw/zinc/29/70/18/620297018.db2.gz GVXMSNDSTMNJPR-DJIMGWMZSA-N 2 1 288.435 3.281 20 0 CGADMP c1cc2c(cccc2C[NH+]2CCC([NH2+]C3CCC3)CC2)[nH]1 ZINC000897981450 620462404 /nfs/dbraw/zinc/46/24/04/620462404.db2.gz MXLUCAFEHWMSPU-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP C1=CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000898032167 620470249 /nfs/dbraw/zinc/47/02/49/620470249.db2.gz LIKHDRPPOLGEIQ-BBWFWOEESA-N 2 1 262.441 3.339 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]CCCC[N@H+]3CCCC[C@@H]3C)C2)CO1 ZINC000924685356 620562666 /nfs/dbraw/zinc/56/26/66/620562666.db2.gz IJPCLFNFIGLVLT-KNXWPPODSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000924693552 620564577 /nfs/dbraw/zinc/56/45/77/620564577.db2.gz CLNZXLGSOKFKEY-OKZBNKHCSA-N 2 1 296.499 3.148 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2coc3ccccc23)C1 ZINC000924705892 620569544 /nfs/dbraw/zinc/56/95/44/620569544.db2.gz NCCMKWACANYOMM-UONOGXRCSA-N 2 1 272.392 3.425 20 0 CGADMP C[C@H](C[NH2+][C@H](c1ccccn1)C1CCC1)C[NH+]1CCCC1 ZINC000924714305 620573011 /nfs/dbraw/zinc/57/30/11/620573011.db2.gz JTSXYSLMTSVLHD-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccc(F)cc1 ZINC000042437119 620872158 /nfs/dbraw/zinc/87/21/58/620872158.db2.gz UNDRSRZXCZVMOY-UHFFFAOYSA-N 2 1 252.377 3.167 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1c(C)noc1C ZINC000902373461 621279674 /nfs/dbraw/zinc/27/96/74/621279674.db2.gz XLMXNIVZSDDYJJ-UONOGXRCSA-N 2 1 279.428 3.110 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902359844 621289737 /nfs/dbraw/zinc/28/97/37/621289737.db2.gz HHLWASADMLVCHX-UMVBOHGHSA-N 2 1 276.424 3.271 20 0 CGADMP Cc1cc(OCCC[C@H](C)[NH2+]CC2([NH3+])CC2)ccc1Cl ZINC000902407093 621292496 /nfs/dbraw/zinc/29/24/96/621292496.db2.gz PGEGEKPSDKNGDH-ZDUSSCGKSA-N 2 1 296.842 3.277 20 0 CGADMP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415571 621308798 /nfs/dbraw/zinc/30/87/98/621308798.db2.gz ISUSXOUDTAUYLT-NHZBNJEXSA-N 2 1 288.435 3.044 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471379 621341554 /nfs/dbraw/zinc/34/15/54/621341554.db2.gz OJBGHYDSURIWPT-XLNGHYISSA-N 2 1 272.436 3.225 20 0 CGADMP C[C@H](ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000902775077 621434999 /nfs/dbraw/zinc/43/49/99/621434999.db2.gz PAFRMAKOJFNBJD-WWTUQBGBSA-N 2 1 287.407 3.119 20 0 CGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000902775077 621435001 /nfs/dbraw/zinc/43/50/01/621435001.db2.gz PAFRMAKOJFNBJD-WWTUQBGBSA-N 2 1 287.407 3.119 20 0 CGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000902775077 621435006 /nfs/dbraw/zinc/43/50/06/621435006.db2.gz PAFRMAKOJFNBJD-WWTUQBGBSA-N 2 1 287.407 3.119 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902993959 621515193 /nfs/dbraw/zinc/51/51/93/621515193.db2.gz ZKGQDVVZKIDOKB-BPQIPLTHSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902993959 621515199 /nfs/dbraw/zinc/51/51/99/621515199.db2.gz ZKGQDVVZKIDOKB-BPQIPLTHSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055666 621545749 /nfs/dbraw/zinc/54/57/49/621545749.db2.gz JFYSTBOSMDKYPF-PPHJYPGKSA-N 2 1 262.441 3.313 20 0 CGADMP Fc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903061139 621551169 /nfs/dbraw/zinc/55/11/69/621551169.db2.gz BGXJPQBECYVIPD-ZXFUBFMLSA-N 2 1 274.383 3.073 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903111810 621584497 /nfs/dbraw/zinc/58/44/97/621584497.db2.gz XBQSBOGXCLIFRF-IBWRZXHSSA-N 2 1 262.441 3.313 20 0 CGADMP c1ccc2c(c1)CC(C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903118635 621588497 /nfs/dbraw/zinc/58/84/97/621588497.db2.gz GFTCDRSCBIDVKG-CTXDPNEZSA-N 2 1 296.458 3.149 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000903185010 621617227 /nfs/dbraw/zinc/61/72/27/621617227.db2.gz BRZSSQJIUVFSMM-ZDYXBAIHSA-N 2 1 264.457 3.272 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CC2)[C@H](C)C1 ZINC000903244595 621637395 /nfs/dbraw/zinc/63/73/95/621637395.db2.gz ZEETVIIXWAOTSF-NVXWUHKLSA-N 2 1 296.499 3.149 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCC3(CC3)C1)C2 ZINC000903277881 621659787 /nfs/dbraw/zinc/65/97/87/621659787.db2.gz ALNIYTTWMISXQP-ZBSSRIJBSA-N 2 1 274.452 3.457 20 0 CGADMP CC1CCC([N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C2CC2)CC1 ZINC000903431507 621743774 /nfs/dbraw/zinc/74/37/74/621743774.db2.gz XLPGVVSEAFVQDU-FUUBYGMNSA-N 2 1 250.430 3.157 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000903431565 621744318 /nfs/dbraw/zinc/74/43/18/621744318.db2.gz PYYIAQLAUPWTLN-XHSDSOJGSA-N 2 1 260.425 3.424 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903437934 621747465 /nfs/dbraw/zinc/74/74/65/621747465.db2.gz OAZYAGOQASECQL-PVAVHDDUSA-N 2 1 290.476 3.212 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2[nH]1 ZINC000903445527 621756663 /nfs/dbraw/zinc/75/66/63/621756663.db2.gz LDCVLSXTLPSNQE-IRXDYDNUSA-N 2 1 283.419 3.132 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496393 621766685 /nfs/dbraw/zinc/76/66/85/621766685.db2.gz MGKXBUWNTKSVEC-CZUORRHYSA-N 2 1 299.418 3.067 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000903716949 621795327 /nfs/dbraw/zinc/79/53/27/621795327.db2.gz VYLLFOKKBKPRAK-CABCVRRESA-N 2 1 260.425 3.369 20 0 CGADMP Fc1ccc(C[N@@H+](C[C@H]2CCCC[NH2+]C2)C2CC2)cc1 ZINC000903719337 621796008 /nfs/dbraw/zinc/79/60/08/621796008.db2.gz YMJOUTFMBBZDEH-HNNXBMFYSA-N 2 1 276.399 3.180 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903725256 621797224 /nfs/dbraw/zinc/79/72/24/621797224.db2.gz YLVYXSDCROQFSA-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1CCCC[NH2+]C1)CCC2 ZINC000903739330 621801155 /nfs/dbraw/zinc/80/11/55/621801155.db2.gz HKLZGMNXXYBLKY-ZFWWWQNUSA-N 2 1 293.480 3.150 20 0 CGADMP CC(C)(C)c1nc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)co1 ZINC000903791136 621804364 /nfs/dbraw/zinc/80/43/64/621804364.db2.gz OFMBRRNOWQFRLR-UHFFFAOYSA-N 2 1 293.455 3.169 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CC2CCCC2)CCC1 ZINC000903810361 621813279 /nfs/dbraw/zinc/81/32/79/621813279.db2.gz BLXLMDHRKAKMFV-OAHLLOKOSA-N 2 1 250.430 3.160 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@H]2CCC(F)(F)C2)CCC1 ZINC000903812467 621814249 /nfs/dbraw/zinc/81/42/49/621814249.db2.gz TXEYNPUJJDOJGB-UONOGXRCSA-N 2 1 286.410 3.405 20 0 CGADMP CC1(C)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000903823824 621816671 /nfs/dbraw/zinc/81/66/71/621816671.db2.gz KFCMMNVSEQSXMX-NVXWUHKLSA-N 2 1 272.436 3.112 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827846 621817814 /nfs/dbraw/zinc/81/78/14/621817814.db2.gz YQEDJMTXNZBFPV-OAHLLOKOSA-N 2 1 270.486 3.113 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000903842917 621819843 /nfs/dbraw/zinc/81/98/43/621819843.db2.gz XQADIGXRURAEOG-PHAGKYIGSA-N 2 1 284.447 3.382 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000903891777 621823918 /nfs/dbraw/zinc/82/39/18/621823918.db2.gz CSMLTZXKXRTPQM-PRTUASRFSA-N 2 1 293.480 3.283 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000903896620 621829141 /nfs/dbraw/zinc/82/91/41/621829141.db2.gz WALFBPPFKAWDMN-AWEZNQCLSA-N 2 1 286.341 3.020 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000903896620 621829143 /nfs/dbraw/zinc/82/91/43/621829143.db2.gz WALFBPPFKAWDMN-AWEZNQCLSA-N 2 1 286.341 3.020 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903899928 621829685 /nfs/dbraw/zinc/82/96/85/621829685.db2.gz YURONOCZNFUUEU-UKRRQHHQSA-N 2 1 282.378 3.423 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903899928 621829689 /nfs/dbraw/zinc/82/96/89/621829689.db2.gz YURONOCZNFUUEU-UKRRQHHQSA-N 2 1 282.378 3.423 20 0 CGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCCC[C@@H]12 ZINC000903902229 621830517 /nfs/dbraw/zinc/83/05/17/621830517.db2.gz FCGZECLJYDWVAF-YNJYSRMFSA-N 2 1 262.441 3.028 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972692 621843712 /nfs/dbraw/zinc/84/37/12/621843712.db2.gz JZTNMKRNUDWXLJ-JKSUJKDBSA-N 2 1 282.472 3.094 20 0 CGADMP C[N@H+](Cc1cc2ccccc2o1)C[C@]1(C)CCC[NH2+]C1 ZINC000904325349 621907902 /nfs/dbraw/zinc/90/79/02/621907902.db2.gz XHLBFGPFJYAGSD-QGZVFWFLSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2o1)C[C@]1(C)CCC[NH2+]C1 ZINC000904325349 621907907 /nfs/dbraw/zinc/90/79/07/621907907.db2.gz XHLBFGPFJYAGSD-QGZVFWFLSA-N 2 1 272.392 3.254 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904340959 621909560 /nfs/dbraw/zinc/90/95/60/621909560.db2.gz GPRYCHBFERFOAO-QZTJIDSGSA-N 2 1 272.436 3.174 20 0 CGADMP CC(C)c1ccc([C@H]([NH3+])CNCc2ccc(C[NH3+])cc2)cc1 ZINC000904353650 621911174 /nfs/dbraw/zinc/91/11/74/621911174.db2.gz PXSGWIUAOZLMOT-LJQANCHMSA-N 2 1 297.446 3.058 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406021 621917982 /nfs/dbraw/zinc/91/79/82/621917982.db2.gz NRBHZWOVLOOSFH-HNNXBMFYSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1C[NH3+] ZINC000904410820 621918944 /nfs/dbraw/zinc/91/89/44/621918944.db2.gz ITFOONMOSBXWGU-OCCSQVGLSA-N 2 1 274.433 3.318 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OCC)c2)C1 ZINC000151115731 622731780 /nfs/dbraw/zinc/73/17/80/622731780.db2.gz GGNFPHJGMZXVKI-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CSC(C)(C)C ZINC000164643044 622840556 /nfs/dbraw/zinc/84/05/56/622840556.db2.gz MFFASFSDFYNZBI-CYBMUJFWSA-N 2 1 283.485 3.482 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000168629210 623008805 /nfs/dbraw/zinc/00/88/05/623008805.db2.gz GYAOZZIJCRZYKQ-AAEUAGOBSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000168629210 623008811 /nfs/dbraw/zinc/00/88/11/623008811.db2.gz GYAOZZIJCRZYKQ-AAEUAGOBSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229067210 623096795 /nfs/dbraw/zinc/09/67/95/623096795.db2.gz MNBFTEZNVQLQNR-BZPMIXESSA-N 2 1 298.377 3.266 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[NH+](C)C ZINC000921522281 625631049 /nfs/dbraw/zinc/63/10/49/625631049.db2.gz PMNZGGDYEDJASM-MLHJIOFPSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000231458807 623323290 /nfs/dbraw/zinc/32/32/90/623323290.db2.gz AUWOTMATCJTIMF-CYBMUJFWSA-N 2 1 286.341 3.279 20 0 CGADMP C[N@@H+](Cc1coc2ccccc12)[C@@H]1CCC[NH2+]CC1 ZINC000231465440 623323332 /nfs/dbraw/zinc/32/33/32/623323332.db2.gz PROAOLBVYVADMU-CQSZACIVSA-N 2 1 258.365 3.007 20 0 CGADMP CC(C)(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000324360123 623803263 /nfs/dbraw/zinc/80/32/63/623803263.db2.gz HPXDHITUMPWMMX-OAHLLOKOSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1CF ZINC000930060053 624390439 /nfs/dbraw/zinc/39/04/39/624390439.db2.gz JJYXOQYOPDGMMU-UHFFFAOYSA-N 2 1 275.371 3.183 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1CF ZINC000930060053 624390443 /nfs/dbraw/zinc/39/04/43/624390443.db2.gz JJYXOQYOPDGMMU-UHFFFAOYSA-N 2 1 275.371 3.183 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1O ZINC000180054974 624711487 /nfs/dbraw/zinc/71/14/87/624711487.db2.gz WLVJTKZCDYIOLE-UHFFFAOYSA-N 2 1 296.842 3.128 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CSC)cc2)C1 ZINC000921625439 625720725 /nfs/dbraw/zinc/72/07/25/625720725.db2.gz VXFFNWANCIVECL-QGZVFWFLSA-N 2 1 292.492 3.371 20 0 CGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c1 ZINC000921688899 625839910 /nfs/dbraw/zinc/83/99/10/625839910.db2.gz JXFJOZSTNLJGTE-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000921774540 625871723 /nfs/dbraw/zinc/87/17/23/625871723.db2.gz JVCBATJGJOYRMO-UHFFFAOYSA-N 2 1 290.411 3.047 20 0 CGADMP CC(F)(F)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929287742 625990891 /nfs/dbraw/zinc/99/08/91/625990891.db2.gz NKTPFEXDWVKULP-UHFFFAOYSA-N 2 1 274.399 3.372 20 0 CGADMP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000922846251 626057751 /nfs/dbraw/zinc/05/77/51/626057751.db2.gz AEDVPGLTSLVVOW-UHFFFAOYSA-N 2 1 298.434 3.060 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cc1 ZINC000923302632 626144083 /nfs/dbraw/zinc/14/40/83/626144083.db2.gz YLWLJWSKGOIOLH-MRXNPFEDSA-N 2 1 262.372 3.105 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)cc1 ZINC000923302632 626144084 /nfs/dbraw/zinc/14/40/84/626144084.db2.gz YLWLJWSKGOIOLH-MRXNPFEDSA-N 2 1 262.372 3.105 20 0 CGADMP c1ccc([C@]23C[C@H]2C[N@H+](CCC2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000923429248 626152820 /nfs/dbraw/zinc/15/28/20/626152820.db2.gz RVDWEJVFJLMKDU-OJPXENHESA-N 2 1 296.458 3.181 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000923490754 626157532 /nfs/dbraw/zinc/15/75/32/626157532.db2.gz IAUZURZBVIQJIZ-INIZCTEOSA-N 2 1 268.404 3.053 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492209 626157858 /nfs/dbraw/zinc/15/78/58/626157858.db2.gz AIMYUILXXZARGC-BZPMIXESSA-N 2 1 266.816 3.318 20 0 CGADMP CC1(C)C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923526929 626161186 /nfs/dbraw/zinc/16/11/86/626161186.db2.gz WDDOSTMRUNEFNA-OIISXLGYSA-N 2 1 272.436 3.382 20 0 CGADMP Cc1nc(NCCC[NH2+]C2CCCCC2)c(C)c(C)[nH+]1 ZINC000761874524 627070345 /nfs/dbraw/zinc/07/03/45/627070345.db2.gz GYAXBRXIEPNSNE-UHFFFAOYSA-N 2 1 276.428 3.126 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CC(C)C)CC1 ZINC000762926029 627132056 /nfs/dbraw/zinc/13/20/56/627132056.db2.gz NRRZMJGDZRSEGQ-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000765142821 627241740 /nfs/dbraw/zinc/24/17/40/627241740.db2.gz JJACGXXVTABRIX-KRWDZBQOSA-N 2 1 269.392 3.167 20 0 CGADMP CCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765977083 627282927 /nfs/dbraw/zinc/28/29/27/627282927.db2.gz PVAXGKIWXCBPMS-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000768302635 627473003 /nfs/dbraw/zinc/47/30/03/627473003.db2.gz JGKOYTPSRSZGME-UHFFFAOYSA-N 2 1 291.439 3.106 20 0 CGADMP C[C@H]1CCC[C@](C[NH2+]C2CC(C(F)F)C2)([NH+](C)C)C1 ZINC000768687946 627493470 /nfs/dbraw/zinc/49/34/70/627493470.db2.gz NFGSAJITIWVREV-CLTVBZQCSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1ncc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000768914119 627508312 /nfs/dbraw/zinc/50/83/12/627508312.db2.gz AOTINKIMWNQWGZ-UHFFFAOYSA-N 2 1 289.448 3.145 20 0 CGADMP Cc1ncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000768914119 627508313 /nfs/dbraw/zinc/50/83/13/627508313.db2.gz AOTINKIMWNQWGZ-UHFFFAOYSA-N 2 1 289.448 3.145 20 0 CGADMP C[C@@H]([NH2+]C1CC(C(F)F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000769550713 627565028 /nfs/dbraw/zinc/56/50/28/627565028.db2.gz DPJVSYCSGBVELD-IWMBGFJWSA-N 2 1 286.410 3.273 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000770510690 627624699 /nfs/dbraw/zinc/62/46/99/627624699.db2.gz PZOQRMMDULFUGZ-LBPRGKRZSA-N 2 1 252.427 3.083 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000772951863 627834270 /nfs/dbraw/zinc/83/42/70/627834270.db2.gz PCMMVLOXSDKOBY-WMZOPIPTSA-N 2 1 290.451 3.084 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCF)CC1)CC(C)C ZINC000773732813 627909654 /nfs/dbraw/zinc/90/96/54/627909654.db2.gz IWQJMVBEVWFBSI-UHFFFAOYSA-N 2 1 258.425 3.036 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000776258882 628186470 /nfs/dbraw/zinc/18/64/70/628186470.db2.gz WHYCLJUOWQNIQM-UHFFFAOYSA-N 2 1 299.462 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000780291871 628478282 /nfs/dbraw/zinc/47/82/82/628478282.db2.gz BVZNRCKXFPNDRS-HYVNUMGLSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000780291871 628478286 /nfs/dbraw/zinc/47/82/86/628478286.db2.gz BVZNRCKXFPNDRS-HYVNUMGLSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCc3ccccc32)CC[NH+]1C ZINC000780291871 628478288 /nfs/dbraw/zinc/47/82/88/628478288.db2.gz BVZNRCKXFPNDRS-HYVNUMGLSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCc3ccccc32)CC[NH+]1C ZINC000780291871 628478293 /nfs/dbraw/zinc/47/82/93/628478293.db2.gz BVZNRCKXFPNDRS-HYVNUMGLSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000781885811 628602483 /nfs/dbraw/zinc/60/24/83/628602483.db2.gz WGQMMAGGPCDVAU-MRXNPFEDSA-N 2 1 272.436 3.482 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000781885811 628602485 /nfs/dbraw/zinc/60/24/85/628602485.db2.gz WGQMMAGGPCDVAU-MRXNPFEDSA-N 2 1 272.436 3.482 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(CC)CC ZINC000782182666 628621311 /nfs/dbraw/zinc/62/13/11/628621311.db2.gz DWCSFFUKIFAFSG-DLBZAZTESA-N 2 1 296.499 3.244 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000783229369 628690927 /nfs/dbraw/zinc/69/09/27/628690927.db2.gz FPQOMMHGCPZURC-IJEWVQPXSA-N 2 1 278.465 3.348 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000783229369 628690929 /nfs/dbraw/zinc/69/09/29/628690929.db2.gz FPQOMMHGCPZURC-IJEWVQPXSA-N 2 1 278.465 3.348 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCSC2)C1 ZINC000783569545 628727012 /nfs/dbraw/zinc/72/70/12/628727012.db2.gz UQACWLRCNRFJFR-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCSC2)C1 ZINC000783569545 628727015 /nfs/dbraw/zinc/72/70/15/628727015.db2.gz UQACWLRCNRFJFR-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000788469622 629056777 /nfs/dbraw/zinc/05/67/77/629056777.db2.gz HNBZFAOSXIOZAH-KRWDZBQOSA-N 2 1 258.409 3.165 20 0 CGADMP Cc1c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccnc1F ZINC000862285836 629339676 /nfs/dbraw/zinc/33/96/76/629339676.db2.gz XRVLPMPUCCRXBC-UHFFFAOYSA-N 2 1 291.414 3.026 20 0 CGADMP CC(C)[N@@H+]1CCCC[C@@H]1CO[NH+]=C(N)CCC(F)(F)F ZINC000863490369 629589184 /nfs/dbraw/zinc/58/91/84/629589184.db2.gz MOSOKVAYUQJCPI-LLVKDONJSA-N 2 1 295.349 3.090 20 0 CGADMP CC(C)[N@H+]1CCCC[C@@H]1CO[NH+]=C(N)CCC(F)(F)F ZINC000863490369 629589188 /nfs/dbraw/zinc/58/91/88/629589188.db2.gz MOSOKVAYUQJCPI-LLVKDONJSA-N 2 1 295.349 3.090 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000863652200 629633090 /nfs/dbraw/zinc/63/30/90/629633090.db2.gz PLWZQERKRNZVQY-HAYURNKSSA-N 2 1 284.447 3.110 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000795832229 629719565 /nfs/dbraw/zinc/71/95/65/629719565.db2.gz SVZUSAQPQGIQQB-XQXHGXSKSA-N 2 1 264.457 3.274 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865412452 630109572 /nfs/dbraw/zinc/10/95/72/630109572.db2.gz OZWNMAMFRMMHRV-ZDUSSCGKSA-N 2 1 278.827 3.222 20 0 CGADMP CC(C)(C)OC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000865697901 630386029 /nfs/dbraw/zinc/38/60/29/630386029.db2.gz CYEWWYFFHCMPOX-JCCCHCCOSA-N 2 1 294.483 3.329 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cn1 ZINC000802643952 630401207 /nfs/dbraw/zinc/40/12/07/630401207.db2.gz YNLVONZXPVQZNR-ZDUSSCGKSA-N 2 1 286.423 3.348 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806142246 630548094 /nfs/dbraw/zinc/54/80/94/630548094.db2.gz BONDPLAGUSYLGG-CQSZACIVSA-N 2 1 293.842 3.185 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000808733191 630672787 /nfs/dbraw/zinc/67/27/87/630672787.db2.gz RTFHZESGMWSAMN-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000808733191 630672791 /nfs/dbraw/zinc/67/27/91/630672791.db2.gz RTFHZESGMWSAMN-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000879203693 635725186 /nfs/dbraw/zinc/72/51/86/635725186.db2.gz UDBAZEUVKSGLHU-MRXNPFEDSA-N 2 1 292.467 3.038 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CCC2 ZINC000817921776 632235252 /nfs/dbraw/zinc/23/52/52/632235252.db2.gz IGOZJQKCFZEEJU-OUCADQQQSA-N 2 1 279.453 3.079 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817929622 632236726 /nfs/dbraw/zinc/23/67/26/632236726.db2.gz IXYSKPGMMMSNGH-ZIAGYGMSSA-N 2 1 295.858 3.444 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000817941303 632240422 /nfs/dbraw/zinc/24/04/22/632240422.db2.gz RRSSQBYVIHMUCT-CQSZACIVSA-N 2 1 295.496 3.071 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc2c(c1)CCCO2 ZINC000817958389 632253112 /nfs/dbraw/zinc/25/31/12/632253112.db2.gz JFPQNCCJRRRFMP-CVEARBPZSA-N 2 1 276.424 3.036 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000817963971 632259290 /nfs/dbraw/zinc/25/92/90/632259290.db2.gz ZSVHREAQKZZKDK-GXTWGEPZSA-N 2 1 252.377 3.302 20 0 CGADMP Fc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820805074 632678756 /nfs/dbraw/zinc/67/87/56/632678756.db2.gz DYRDTKSNDOSBFY-ZXFUBFMLSA-N 2 1 288.410 3.116 20 0 CGADMP CCCCc1nc(C[N@@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000844220526 635833804 /nfs/dbraw/zinc/83/38/04/635833804.db2.gz GVKZYORDDGDOIJ-UHFFFAOYSA-N 2 1 281.469 3.187 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C[C@H](C)O1 ZINC000865804726 632895372 /nfs/dbraw/zinc/89/53/72/632895372.db2.gz GEQOONCXBAQSNI-MUQADHOPSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C[C@H](C)O1 ZINC000865804726 632895377 /nfs/dbraw/zinc/89/53/77/632895377.db2.gz GEQOONCXBAQSNI-MUQADHOPSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000866218028 633032715 /nfs/dbraw/zinc/03/27/15/633032715.db2.gz KLKMPIYDEBKDGS-SJORKVTESA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000866341899 633088221 /nfs/dbraw/zinc/08/82/21/633088221.db2.gz PZNQMGFKZNEKOP-PXAZEXFGSA-N 2 1 287.382 3.015 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000866343337 633089500 /nfs/dbraw/zinc/08/95/00/633089500.db2.gz ZLEASLLJFBYJJW-GOSISDBHSA-N 2 1 291.398 3.393 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866595420 633205923 /nfs/dbraw/zinc/20/59/23/633205923.db2.gz OJQKHTJPQRGOLZ-CQSZACIVSA-N 2 1 288.435 3.220 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000866702573 633234176 /nfs/dbraw/zinc/23/41/76/633234176.db2.gz CRNMZBHCWJDOBD-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000866702573 633234178 /nfs/dbraw/zinc/23/41/78/633234178.db2.gz CRNMZBHCWJDOBD-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP c1cc(C[NH+]2CCCCCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000826075676 633402940 /nfs/dbraw/zinc/40/29/40/633402940.db2.gz YAZPDACUNJBXTJ-UHFFFAOYSA-N 2 1 284.407 3.424 20 0 CGADMP C[C@@H](CON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000871784742 633861231 /nfs/dbraw/zinc/86/12/31/633861231.db2.gz JWDLRPJWDNRLFV-FUDCBSFHSA-N 2 1 281.444 3.040 20 0 CGADMP C[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000871784742 633861235 /nfs/dbraw/zinc/86/12/35/633861235.db2.gz JWDLRPJWDNRLFV-FUDCBSFHSA-N 2 1 281.444 3.040 20 0 CGADMP C[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000871784742 633861239 /nfs/dbraw/zinc/86/12/39/633861239.db2.gz JWDLRPJWDNRLFV-FUDCBSFHSA-N 2 1 281.444 3.040 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H]1CCCOC1 ZINC000872018975 633939585 /nfs/dbraw/zinc/93/95/85/633939585.db2.gz QYLWOOUNEXAKIO-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000872026271 633945958 /nfs/dbraw/zinc/94/59/58/633945958.db2.gz ZZOIPTPDPMDCTD-AGIUHOORSA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000872025746 633946075 /nfs/dbraw/zinc/94/60/75/633946075.db2.gz SMSNTJMMTFCJLR-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000872072191 633993537 /nfs/dbraw/zinc/99/35/37/633993537.db2.gz BEYXDPPCIQLHIQ-NWDGAFQWSA-N 2 1 268.367 3.426 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000872072191 633993540 /nfs/dbraw/zinc/99/35/40/633993540.db2.gz BEYXDPPCIQLHIQ-NWDGAFQWSA-N 2 1 268.367 3.426 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ncccc23)[C@@H]2CCC[C@H]21 ZINC000872123694 634046434 /nfs/dbraw/zinc/04/64/34/634046434.db2.gz UQHMDTOAAUXIDB-YTQUADARSA-N 2 1 295.430 3.197 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000846217548 636161149 /nfs/dbraw/zinc/16/11/49/636161149.db2.gz JZGVFYQREFINBC-INIZCTEOSA-N 2 1 264.388 3.482 20 0 CGADMP Clc1ncsc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143567 634064451 /nfs/dbraw/zinc/06/44/51/634064451.db2.gz STZGUAXTKLLRMX-VXGBXAGGSA-N 2 1 299.871 3.008 20 0 CGADMP C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000872146840 634066102 /nfs/dbraw/zinc/06/61/02/634066102.db2.gz YYPWRECIHGXGCM-OAHLLOKOSA-N 2 1 298.352 3.107 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872150475 634066749 /nfs/dbraw/zinc/06/67/49/634066749.db2.gz QTVGOYUETDGGPG-SNPRPXQTSA-N 2 1 298.352 3.133 20 0 CGADMP C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000872147007 634066791 /nfs/dbraw/zinc/06/67/91/634066791.db2.gz BYRLIEWLNGAPID-OAHLLOKOSA-N 2 1 298.352 3.107 20 0 CGADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000872157406 634067188 /nfs/dbraw/zinc/06/71/88/634067188.db2.gz OLJUWLIKHGUDIE-ONIAQPFYSA-N 2 1 294.483 3.031 20 0 CGADMP CCOCCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158280 634069668 /nfs/dbraw/zinc/06/96/68/634069668.db2.gz UQDFCTCERIKBFJ-NVXWUHKLSA-N 2 1 282.472 3.033 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCc2ccccc21 ZINC000832761955 634092788 /nfs/dbraw/zinc/09/27/88/634092788.db2.gz ZILTXLAFQMOUMW-MRXNPFEDSA-N 2 1 272.436 3.180 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234152 634295495 /nfs/dbraw/zinc/29/54/95/634295495.db2.gz CCGMRIISORWRMS-VXGBXAGGSA-N 2 1 280.378 3.475 20 0 CGADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000873246223 634299284 /nfs/dbraw/zinc/29/92/84/634299284.db2.gz TYVJPOVHOWGUFC-GXTWGEPZSA-N 2 1 294.414 3.263 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000019912893 634375702 /nfs/dbraw/zinc/37/57/02/634375702.db2.gz YCTHSGHTRBBLJI-CYBMUJFWSA-N 2 1 282.378 3.319 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000019912893 634375708 /nfs/dbraw/zinc/37/57/08/634375708.db2.gz YCTHSGHTRBBLJI-CYBMUJFWSA-N 2 1 282.378 3.319 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000876811978 634904704 /nfs/dbraw/zinc/90/47/04/634904704.db2.gz PCBHYHVYZHLCHJ-HOCLYGCPSA-N 2 1 296.524 3.467 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000876811978 634904712 /nfs/dbraw/zinc/90/47/12/634904712.db2.gz PCBHYHVYZHLCHJ-HOCLYGCPSA-N 2 1 296.524 3.467 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876811978 634904717 /nfs/dbraw/zinc/90/47/17/634904717.db2.gz PCBHYHVYZHLCHJ-HOCLYGCPSA-N 2 1 296.524 3.467 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(C(C)C)CC2)cn1 ZINC000876951170 634935312 /nfs/dbraw/zinc/93/53/12/634935312.db2.gz GDLJWSMDAXSTKO-UHFFFAOYSA-N 2 1 284.407 3.102 20 0 CGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000877539938 635079929 /nfs/dbraw/zinc/07/99/29/635079929.db2.gz QQLNCDVNPOUQEX-NJSLBKSFSA-N 2 1 292.404 3.028 20 0 CGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000877539938 635079931 /nfs/dbraw/zinc/07/99/31/635079931.db2.gz QQLNCDVNPOUQEX-NJSLBKSFSA-N 2 1 292.404 3.028 20 0 CGADMP Cc1cc(C[NH2+]CC2([NH3+])CCCCCC2)cnc1Cl ZINC000841044282 635113370 /nfs/dbraw/zinc/11/33/70/635113370.db2.gz YOCRYLWBIHHZRZ-UHFFFAOYSA-N 2 1 281.831 3.185 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877739051 635173077 /nfs/dbraw/zinc/17/30/77/635173077.db2.gz DULMJERLOIFFGV-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000877739051 635173084 /nfs/dbraw/zinc/17/30/84/635173084.db2.gz DULMJERLOIFFGV-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000877739051 635173090 /nfs/dbraw/zinc/17/30/90/635173090.db2.gz DULMJERLOIFFGV-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCO[C@H](C)C1 ZINC000877767162 635193463 /nfs/dbraw/zinc/19/34/63/635193463.db2.gz AWROVDDCTCUOMV-SJLPKXTDSA-N 2 1 296.499 3.101 20 0 CGADMP Cc1cnccc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767742 635194329 /nfs/dbraw/zinc/19/43/29/635194329.db2.gz VUTKJGGTMQWIPY-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1F ZINC000842472760 635377953 /nfs/dbraw/zinc/37/79/53/635377953.db2.gz KDZGNCBDKGLEOK-BLLLJJGKSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCCCCC[NH3+] ZINC000842472344 635378286 /nfs/dbraw/zinc/37/82/86/635378286.db2.gz WZTBMTSIFXCBAV-WMZOPIPTSA-N 2 1 290.451 3.358 20 0 CGADMP C[C@H]1COc2ccccc2C[N@H+]1CCCCCCC[NH3+] ZINC000842478741 635379486 /nfs/dbraw/zinc/37/94/86/635379486.db2.gz ODNTYUQNGVZXAH-HNNXBMFYSA-N 2 1 276.424 3.179 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878166735 635390750 /nfs/dbraw/zinc/39/07/50/635390750.db2.gz DJSDKOKJSAFDBZ-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878166735 635390754 /nfs/dbraw/zinc/39/07/54/635390754.db2.gz DJSDKOKJSAFDBZ-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878166735 635390757 /nfs/dbraw/zinc/39/07/57/635390757.db2.gz DJSDKOKJSAFDBZ-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CC[C@H]2C2CC2)[C@H](c2ccccc2)C1 ZINC000842924649 635513105 /nfs/dbraw/zinc/51/31/05/635513105.db2.gz RLAQLZCVSAWYLV-XWSJACJDSA-N 2 1 284.447 3.110 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1[NH3+] ZINC000843051165 635549954 /nfs/dbraw/zinc/54/99/54/635549954.db2.gz FKZYLLBBUQJCJJ-GXFFZTMASA-N 2 1 286.391 3.170 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1[NH3+] ZINC000843051165 635549962 /nfs/dbraw/zinc/54/99/62/635549962.db2.gz FKZYLLBBUQJCJJ-GXFFZTMASA-N 2 1 286.391 3.170 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C\c1ccccc1 ZINC000843053970 635551922 /nfs/dbraw/zinc/55/19/22/635551922.db2.gz NYSDAYJBRBSIHU-MWZPTBATSA-N 2 1 256.393 3.044 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1F ZINC000843062221 635554943 /nfs/dbraw/zinc/55/49/43/635554943.db2.gz NLBIULBIFOIFOO-WBMJQRKESA-N 2 1 280.362 3.101 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1F ZINC000843062221 635554950 /nfs/dbraw/zinc/55/49/50/635554950.db2.gz NLBIULBIFOIFOO-WBMJQRKESA-N 2 1 280.362 3.101 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843120170 635560455 /nfs/dbraw/zinc/56/04/55/635560455.db2.gz HBAQLOIBHYWSFR-UHFFFAOYSA-N 2 1 270.420 3.140 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000843392493 635658606 /nfs/dbraw/zinc/65/86/06/635658606.db2.gz QVQYMFVERYHVSZ-KRWDZBQOSA-N 2 1 276.424 3.049 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)o1 ZINC000879248388 635737022 /nfs/dbraw/zinc/73/70/22/635737022.db2.gz SGTVCMHWFVHVMS-UHFFFAOYSA-N 2 1 291.439 3.106 20 0 CGADMP FC[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880297085 635968436 /nfs/dbraw/zinc/96/84/36/635968436.db2.gz IZKUESXHETVOMO-IYBDPMFKSA-N 2 1 288.426 3.130 20 0 CGADMP FC[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](CF)C2)C1 ZINC000880297085 635968440 /nfs/dbraw/zinc/96/84/40/635968440.db2.gz IZKUESXHETVOMO-IYBDPMFKSA-N 2 1 288.426 3.130 20 0 CGADMP FC[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](CF)C2)C1 ZINC000880297085 635968443 /nfs/dbraw/zinc/96/84/43/635968443.db2.gz IZKUESXHETVOMO-IYBDPMFKSA-N 2 1 288.426 3.130 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccnc1Cl ZINC000844923772 635985747 /nfs/dbraw/zinc/98/57/47/635985747.db2.gz JZDVRUVASGHXHS-JTQLQIEISA-N 2 1 293.773 3.184 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880470498 636006422 /nfs/dbraw/zinc/00/64/22/636006422.db2.gz KJKREHLLUFEHHQ-OAHLLOKOSA-N 2 1 258.409 3.308 20 0 CGADMP CCc1noc(C)c1[C@H](C)NCCC[N@@H+](C)CC(C)C ZINC000846176006 636153883 /nfs/dbraw/zinc/15/38/83/636153883.db2.gz BKBOWEUSAIBBAZ-ZDUSSCGKSA-N 2 1 281.444 3.174 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)c1cccnc1Cl ZINC000846177704 636154157 /nfs/dbraw/zinc/15/41/57/636154157.db2.gz QEKHAAPTUDDSNV-ZDUSSCGKSA-N 2 1 283.847 3.364 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](c2ccc(F)cc2)O1 ZINC000846219022 636162009 /nfs/dbraw/zinc/16/20/09/636162009.db2.gz CXMLXQWZPWWNAE-PBHICJAKSA-N 2 1 294.414 3.107 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(-c2ccccc2)c[nH]1 ZINC000846221303 636163004 /nfs/dbraw/zinc/16/30/04/636163004.db2.gz WKLPYKHHWYSDDN-UHFFFAOYSA-N 2 1 286.423 3.028 20 0 CGADMP Cc1ccc(N2CCC[N@@H+](CCCCCC[NH3+])CC2)cc1 ZINC000846222678 636163086 /nfs/dbraw/zinc/16/30/86/636163086.db2.gz XLJTVJCEKZAZIK-UHFFFAOYSA-N 2 1 289.467 3.026 20 0 CGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000846220661 636163285 /nfs/dbraw/zinc/16/32/85/636163285.db2.gz TVCVQJWBYLZGLZ-GOSISDBHSA-N 2 1 289.467 3.409 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCC3(CC3)C2)C[C@H](C)O1 ZINC000883203957 636583492 /nfs/dbraw/zinc/58/34/92/636583492.db2.gz PHIHGHRVMLPTOV-BBWFWOEESA-N 2 1 294.483 3.188 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883265424 636635783 /nfs/dbraw/zinc/63/57/83/636635783.db2.gz BAAIMGIARKHYRS-ZDUSSCGKSA-N 2 1 283.366 3.063 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCCC1(F)F ZINC000883265423 636635888 /nfs/dbraw/zinc/63/58/88/636635888.db2.gz BAAIMGIARKHYRS-CYBMUJFWSA-N 2 1 283.366 3.063 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCSC2)c1 ZINC000131389864 636647843 /nfs/dbraw/zinc/64/78/43/636647843.db2.gz NFEBLJGSMZJQAV-INIZCTEOSA-N 2 1 278.465 3.124 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)O1 ZINC000883435087 636755320 /nfs/dbraw/zinc/75/53/20/636755320.db2.gz KGFRUDGBMKPUSS-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP C1=C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000850359978 637027831 /nfs/dbraw/zinc/02/78/31/637027831.db2.gz XVXKCUYWKVJXLL-ZWKOTPCHSA-N 2 1 282.431 3.492 20 0 CGADMP C1=C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000850359978 637027836 /nfs/dbraw/zinc/02/78/36/637027836.db2.gz XVXKCUYWKVJXLL-ZWKOTPCHSA-N 2 1 282.431 3.492 20 0 CGADMP C1=C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000850359977 637028451 /nfs/dbraw/zinc/02/84/51/637028451.db2.gz XVXKCUYWKVJXLL-ROUUACIJSA-N 2 1 282.431 3.492 20 0 CGADMP C1=C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000850359977 637028455 /nfs/dbraw/zinc/02/84/55/637028455.db2.gz XVXKCUYWKVJXLL-ROUUACIJSA-N 2 1 282.431 3.492 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000886167001 637445478 /nfs/dbraw/zinc/44/54/78/637445478.db2.gz XYHPKEGVOOKUIU-FGTMMUONSA-N 2 1 294.483 3.046 20 0 CGADMP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)SC ZINC000219279855 637518624 /nfs/dbraw/zinc/51/86/24/637518624.db2.gz VOYAQFJCZUGYCG-AGUYFDCRSA-N 2 1 270.486 3.123 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000851903889 637539328 /nfs/dbraw/zinc/53/93/28/637539328.db2.gz XPWSJRUSSNBENA-KRWDZBQOSA-N 2 1 296.499 3.026 20 0 CGADMP C(CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)CC1CCOCC1 ZINC000886874205 637715992 /nfs/dbraw/zinc/71/59/92/637715992.db2.gz ITEUXJQWIFORNV-SFHVURJKSA-N 2 1 294.483 3.049 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000924570798 638364287 /nfs/dbraw/zinc/36/42/87/638364287.db2.gz CEMOMROEOVSRPH-SQNIBIBYSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000924578467 638366641 /nfs/dbraw/zinc/36/66/41/638366641.db2.gz ACVDYFKVWLIKJU-QGZVFWFLSA-N 2 1 297.446 3.124 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C(C)C)[NH+](C)C ZINC000924630736 638380613 /nfs/dbraw/zinc/38/06/13/638380613.db2.gz BUOHANFMOBZCEW-BBWFWOEESA-N 2 1 284.488 3.004 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)CC(C)C ZINC000924633134 638380755 /nfs/dbraw/zinc/38/07/55/638380755.db2.gz UZWJNTQVUVIAFJ-VVLHAWIVSA-N 2 1 284.488 3.004 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000924753505 638399195 /nfs/dbraw/zinc/39/91/95/638399195.db2.gz PXFYRNPNDWKYSU-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000924753505 638399198 /nfs/dbraw/zinc/39/91/98/638399198.db2.gz PXFYRNPNDWKYSU-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000924958747 638431044 /nfs/dbraw/zinc/43/10/44/638431044.db2.gz HHTWKGKQULAEBI-KZNAEPCWSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000925556038 638527934 /nfs/dbraw/zinc/52/79/34/638527934.db2.gz JNTANVRACQIJEE-GMBSWORKSA-N 2 1 296.414 3.231 20 0 CGADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](c1ccccc1)[C@H](C)N ZINC000925576719 638536037 /nfs/dbraw/zinc/53/60/37/638536037.db2.gz YILHVPFYEMDAGS-PDWMJMLSSA-N 2 1 298.430 3.177 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccns2)C1 ZINC000925588661 638538539 /nfs/dbraw/zinc/53/85/39/638538539.db2.gz SCPDYMCMIIPPOO-KBPBESRZSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccns2)C1 ZINC000925588661 638538543 /nfs/dbraw/zinc/53/85/43/638538543.db2.gz SCPDYMCMIIPPOO-KBPBESRZSA-N 2 1 281.469 3.162 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857847818 638576129 /nfs/dbraw/zinc/57/61/29/638576129.db2.gz ZCDJXPBWXQFIMY-GOEBONIOSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847818 638576132 /nfs/dbraw/zinc/57/61/32/638576132.db2.gz ZCDJXPBWXQFIMY-GOEBONIOSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857847818 638576139 /nfs/dbraw/zinc/57/61/39/638576139.db2.gz ZCDJXPBWXQFIMY-GOEBONIOSA-N 2 1 290.455 3.031 20 0 CGADMP Clc1ccc2c(n1)[C@@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CC2 ZINC000857914112 638603559 /nfs/dbraw/zinc/60/35/59/638603559.db2.gz QKPGDMNLVVKTKF-AWEZNQCLSA-N 2 1 298.777 3.160 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(C2CC2)c1 ZINC000925777467 638610289 /nfs/dbraw/zinc/61/02/89/638610289.db2.gz PDJZJPLRWUMCHV-BLLLJJGKSA-N 2 1 294.389 3.459 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925800993 638615691 /nfs/dbraw/zinc/61/56/91/638615691.db2.gz HXNYONBJHXHPHF-AIDGVLJZSA-N 2 1 290.476 3.339 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858089229 638625073 /nfs/dbraw/zinc/62/50/73/638625073.db2.gz KXUKNXGBWXXSNW-MRXNPFEDSA-N 2 1 290.451 3.226 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000858157986 638646780 /nfs/dbraw/zinc/64/67/80/638646780.db2.gz XEEJIZLOOSZBTK-JSGCOSHPSA-N 2 1 293.480 3.291 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000858157986 638646784 /nfs/dbraw/zinc/64/67/84/638646784.db2.gz XEEJIZLOOSZBTK-JSGCOSHPSA-N 2 1 293.480 3.291 20 0 CGADMP Cn1c[nH+]c2cc(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000926095408 638702676 /nfs/dbraw/zinc/70/26/76/638702676.db2.gz MEWWVIKVVUZOGF-YOEHRIQHSA-N 2 1 284.407 3.002 20 0 CGADMP Cn1c[nH+]c2cc(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc21 ZINC000926095408 638702683 /nfs/dbraw/zinc/70/26/83/638702683.db2.gz MEWWVIKVVUZOGF-YOEHRIQHSA-N 2 1 284.407 3.002 20 0 CGADMP C1C([NH2+][C@H]2CCOC23CCCCC3)CC1[NH+]1CCCCC1 ZINC000926338469 638764263 /nfs/dbraw/zinc/76/42/63/638764263.db2.gz DWIQSZFQFDLCCQ-JCYILVPMSA-N 2 1 292.467 3.085 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)[C@@H]2CCC[C@H]21 ZINC000927100192 638842042 /nfs/dbraw/zinc/84/20/42/638842042.db2.gz HRBZLXLYEBBIRM-YHUYYLMFSA-N 2 1 294.483 3.043 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC=CCC2)[C@@H](C)C1 ZINC000927122545 638845240 /nfs/dbraw/zinc/84/52/40/638845240.db2.gz JEFINDCTFULFLL-GOEBONIOSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929469731 638926924 /nfs/dbraw/zinc/92/69/24/638926924.db2.gz FBRGBHIHAISSLN-KRWDZBQOSA-N 2 1 294.483 3.283 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3CF)CC[C@@H]21 ZINC000929846166 638956140 /nfs/dbraw/zinc/95/61/40/638956140.db2.gz HCNPDWDVZAABMO-IRXDYDNUSA-N 2 1 276.399 3.072 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(F)c2)[C@@H](C)C1 ZINC000930001237 638967718 /nfs/dbraw/zinc/96/77/18/638967718.db2.gz SGNYKQNSWWPIMY-WMLDXEAASA-N 2 1 278.415 3.030 20 0 CGADMP COC1(CC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCC1 ZINC000859213060 639110422 /nfs/dbraw/zinc/11/04/22/639110422.db2.gz QZLZIBJSMIPJSL-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](Cc3cccc4cccnc43)C[C@]2(C)C1 ZINC000931305174 639133713 /nfs/dbraw/zinc/13/37/13/639133713.db2.gz BRWLZXRZMUEWDG-OALUTQOASA-N 2 1 295.430 3.008 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000931437416 639148109 /nfs/dbraw/zinc/14/81/09/639148109.db2.gz BTIZSOZLQASQOH-UXHICEINSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000931437416 639148113 /nfs/dbraw/zinc/14/81/13/639148113.db2.gz BTIZSOZLQASQOH-UXHICEINSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000931437416 639148115 /nfs/dbraw/zinc/14/81/15/639148115.db2.gz BTIZSOZLQASQOH-UXHICEINSA-N 2 1 294.442 3.266 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccccc3Cl)C[C@@H]2C1 ZINC000931435848 639148320 /nfs/dbraw/zinc/14/83/20/639148320.db2.gz HOWOEKAQKMIEBP-CVEARBPZSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccccc3Cl)C[C@@H]2C1 ZINC000931435848 639148324 /nfs/dbraw/zinc/14/83/24/639148324.db2.gz HOWOEKAQKMIEBP-CVEARBPZSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccccc3Cl)C[C@@H]2C1 ZINC000931435848 639148330 /nfs/dbraw/zinc/14/83/30/639148330.db2.gz HOWOEKAQKMIEBP-CVEARBPZSA-N 2 1 292.854 3.156 20 0 CGADMP CCc1ncc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000931561418 639170590 /nfs/dbraw/zinc/17/05/90/639170590.db2.gz JFAVJPINKOWIPJ-UHFFFAOYSA-N 2 1 293.455 3.037 20 0 CGADMP COC[C@@H](C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)C(C)C ZINC000931747982 639199887 /nfs/dbraw/zinc/19/98/87/639199887.db2.gz FNTABEOWVPYFMW-MRXNPFEDSA-N 2 1 293.455 3.125 20 0 CGADMP c1ccc([C@]23C[C@H]2C[N@@H+](CCC[NH+]2CCCCC2)C3)cc1 ZINC000931932572 639236611 /nfs/dbraw/zinc/23/66/11/639236611.db2.gz VVYGCKOAIMTZFG-RBUKOAKNSA-N 2 1 284.447 3.136 20 0 CGADMP c1ccc([C@]23C[C@H]2C[N@H+](CCC[NH+]2CCCCC2)C3)cc1 ZINC000931932572 639236622 /nfs/dbraw/zinc/23/66/22/639236622.db2.gz VVYGCKOAIMTZFG-RBUKOAKNSA-N 2 1 284.447 3.136 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000932560360 639353460 /nfs/dbraw/zinc/35/34/60/639353460.db2.gz IBSLOSUGZRHOQR-UKRRQHHQSA-N 2 1 264.388 3.269 20 0 CGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000091844149 640723268 /nfs/dbraw/zinc/72/32/68/640723268.db2.gz RUUKHYUVMYJCTI-UHFFFAOYSA-N 2 1 286.341 3.407 20 0 CGADMP C[N@@H+](Cc1cc(F)cc2cccnc21)C1CCC([NH3+])CC1 ZINC000091848000 640724581 /nfs/dbraw/zinc/72/45/81/640724581.db2.gz DIHUHFHSOVWVAI-UHFFFAOYSA-N 2 1 287.382 3.076 20 0 CGADMP CC(C)[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415146562 640859713 /nfs/dbraw/zinc/85/97/13/640859713.db2.gz YZDZMQCHJFFUOO-QZTJIDSGSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415146562 640859722 /nfs/dbraw/zinc/85/97/22/640859722.db2.gz YZDZMQCHJFFUOO-QZTJIDSGSA-N 2 1 272.436 3.254 20 0 CGADMP COc1ccc2cc[nH+]c(NCC[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC001156389100 805682368 /nfs/dbraw/zinc/68/23/68/805682368.db2.gz MZFHUISVRFDUSK-AWEZNQCLSA-N 2 1 299.418 3.387 20 0 CGADMP COc1ccc2cc[nH+]c(NCC[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC001156389100 805682370 /nfs/dbraw/zinc/68/23/70/805682370.db2.gz MZFHUISVRFDUSK-AWEZNQCLSA-N 2 1 299.418 3.387 20 0 CGADMP CC(C)Oc1cc[nH+]c(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001156389717 805682783 /nfs/dbraw/zinc/68/27/83/805682783.db2.gz QSOJTOLSRNRYSF-AWEZNQCLSA-N 2 1 277.412 3.013 20 0 CGADMP CCC[C@@H](CC)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001257264886 807078984 /nfs/dbraw/zinc/07/89/84/807078984.db2.gz VKBJNGXYOIMSEA-WBVHZDCISA-N 2 1 282.472 3.140 20 0 CGADMP C[NH+](C)CC(C)(C)CNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001157948901 805908026 /nfs/dbraw/zinc/90/80/26/805908026.db2.gz OGWGGEZWDSCAAR-UHFFFAOYSA-N 2 1 286.423 3.051 20 0 CGADMP Nc1cccc2[nH+]cn(-c3ccc([C@H]4CCC[NH2+]4)cc3)c21 ZINC001159492240 806114458 /nfs/dbraw/zinc/11/44/58/806114458.db2.gz VNSHFAUCWYLYOZ-OAHLLOKOSA-N 2 1 278.359 3.032 20 0 CGADMP CC(C)c1ccc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]c1 ZINC001160744251 806299799 /nfs/dbraw/zinc/29/97/99/806299799.db2.gz ZDWJRWUVQUMIDJ-RYUDHWBXSA-N 2 1 287.329 3.157 20 0 CGADMP Cc1ccc2c(C)cc(NC/C=C/C[NH3+])[nH+]c2c1C ZINC001160982018 806332234 /nfs/dbraw/zinc/33/22/34/806332234.db2.gz AIUWDKHLIIYSJB-SNAWJCMRSA-N 2 1 255.365 3.087 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254224875 806370629 /nfs/dbraw/zinc/37/06/29/806370629.db2.gz DCAJNXZBESFBAK-UHFFFAOYSA-N 2 1 272.383 3.123 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254224875 806370638 /nfs/dbraw/zinc/37/06/38/806370638.db2.gz DCAJNXZBESFBAK-UHFFFAOYSA-N 2 1 272.383 3.123 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCc2ccccc2CC1 ZINC001254452221 806405025 /nfs/dbraw/zinc/40/50/25/806405025.db2.gz GLCSQAFNXAMQPY-GOSISDBHSA-N 2 1 272.436 3.008 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC001254500990 806421289 /nfs/dbraw/zinc/42/12/89/806421289.db2.gz NSBTXLZOLNVQJP-OALUTQOASA-N 2 1 295.430 3.245 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC001254500990 806421292 /nfs/dbraw/zinc/42/12/92/806421292.db2.gz NSBTXLZOLNVQJP-OALUTQOASA-N 2 1 295.430 3.245 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254500452 806421809 /nfs/dbraw/zinc/42/18/09/806421809.db2.gz HAFSAPNHNQTFAV-KRWDZBQOSA-N 2 1 290.451 3.439 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccc(OC)c1 ZINC001254507344 806426957 /nfs/dbraw/zinc/42/69/57/806426957.db2.gz LFXAHFVDBVPJOP-DOTOQJQBSA-N 2 1 276.424 3.220 20 0 CGADMP C[N@H+]1CCC[C@@H](n2c3ccccc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001254508876 806427281 /nfs/dbraw/zinc/42/72/81/806427281.db2.gz TYCSONJDSNTSNT-HUUCEWRRSA-N 2 1 297.446 3.114 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC23CCC(F)(F)CC3)CC1 ZINC001254507686 806427721 /nfs/dbraw/zinc/42/77/21/806427721.db2.gz FJKAXKITAMHJAF-STQMWFEESA-N 2 1 272.383 3.028 20 0 CGADMP Cc1ccccc1CC(C)(C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254507594 806427740 /nfs/dbraw/zinc/42/77/40/806427740.db2.gz CTHIZTLPCGQALO-KRWDZBQOSA-N 2 1 274.452 3.390 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC001254511138 806430159 /nfs/dbraw/zinc/43/01/59/806430159.db2.gz WSWKEJDMIYXZPK-CQSZACIVSA-N 2 1 276.399 3.279 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC001254511138 806430165 /nfs/dbraw/zinc/43/01/65/806430165.db2.gz WSWKEJDMIYXZPK-CQSZACIVSA-N 2 1 276.399 3.279 20 0 CGADMP COc1cccc(C2([NH2+][C@H]3CCC[N@@H+](C)CC3)CCC2)c1 ZINC001254511346 806430800 /nfs/dbraw/zinc/43/08/00/806430800.db2.gz ZMSLLYPQBZSVJM-INIZCTEOSA-N 2 1 288.435 3.148 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254509758 806430899 /nfs/dbraw/zinc/43/08/99/806430899.db2.gz PZFDRYAKFRWMHF-INIZCTEOSA-N 2 1 298.430 3.422 20 0 CGADMP Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254511014 806431243 /nfs/dbraw/zinc/43/12/43/806431243.db2.gz ZPYATRWKZQBNEE-DZGCQCFKSA-N 2 1 264.388 3.269 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254516014 806436889 /nfs/dbraw/zinc/43/68/89/806436889.db2.gz IOZVKMGMAIVNCG-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254516014 806436896 /nfs/dbraw/zinc/43/68/96/806436896.db2.gz IOZVKMGMAIVNCG-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516014 806436901 /nfs/dbraw/zinc/43/69/01/806436901.db2.gz IOZVKMGMAIVNCG-GDBMZVCRSA-N 2 1 258.409 3.090 20 0 CGADMP COc1ccccc1CC(C)(C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254512381 806433190 /nfs/dbraw/zinc/43/31/90/806433190.db2.gz MPAHBQLGNXZATL-INIZCTEOSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccccc1[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C1CC1 ZINC001254515494 806436238 /nfs/dbraw/zinc/43/62/38/806436238.db2.gz WXHDSBXSZQKDHT-QAPCUYQASA-N 2 1 288.435 3.220 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524617 806438560 /nfs/dbraw/zinc/43/85/60/806438560.db2.gz XXJZKVNRSKWOTB-FUHWJXTLSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524617 806438568 /nfs/dbraw/zinc/43/85/68/806438568.db2.gz XXJZKVNRSKWOTB-FUHWJXTLSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524617 806438576 /nfs/dbraw/zinc/43/85/76/806438576.db2.gz XXJZKVNRSKWOTB-FUHWJXTLSA-N 2 1 288.435 3.014 20 0 CGADMP Cc1ccc2c(c1)c1c(n2[C@@H]2CCC[N@H+](C)CC2)CC[NH2+]C1 ZINC001254521927 806439728 /nfs/dbraw/zinc/43/97/28/806439728.db2.gz AETSSOSKCCVFKD-OAHLLOKOSA-N 2 1 297.446 3.252 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522813 806439844 /nfs/dbraw/zinc/43/98/44/806439844.db2.gz JOMKLTCTLFJXJF-IRXDYDNUSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522813 806439848 /nfs/dbraw/zinc/43/98/48/806439848.db2.gz JOMKLTCTLFJXJF-IRXDYDNUSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522813 806439852 /nfs/dbraw/zinc/43/98/52/806439852.db2.gz JOMKLTCTLFJXJF-IRXDYDNUSA-N 2 1 276.399 3.447 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524619 806440709 /nfs/dbraw/zinc/44/07/09/806440709.db2.gz XXJZKVNRSKWOTB-WMZOPIPTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524619 806440714 /nfs/dbraw/zinc/44/07/14/806440714.db2.gz XXJZKVNRSKWOTB-WMZOPIPTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524619 806440723 /nfs/dbraw/zinc/44/07/23/806440723.db2.gz XXJZKVNRSKWOTB-WMZOPIPTSA-N 2 1 288.435 3.014 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001254528498 806442497 /nfs/dbraw/zinc/44/24/97/806442497.db2.gz GCEVUYJLIAELKS-OWCLPIDISA-N 2 1 270.420 3.057 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001254528498 806442504 /nfs/dbraw/zinc/44/25/04/806442504.db2.gz GCEVUYJLIAELKS-OWCLPIDISA-N 2 1 270.420 3.057 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001254528498 806442508 /nfs/dbraw/zinc/44/25/08/806442508.db2.gz GCEVUYJLIAELKS-OWCLPIDISA-N 2 1 270.420 3.057 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254532296 806445342 /nfs/dbraw/zinc/44/53/42/806445342.db2.gz RSYTZMPVAFBLJJ-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP CC[NH+](CCc1ccc(OC)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254532296 806445344 /nfs/dbraw/zinc/44/53/44/806445344.db2.gz RSYTZMPVAFBLJJ-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP CC[NH+](CCc1ccc(OC)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532296 806445345 /nfs/dbraw/zinc/44/53/45/806445345.db2.gz RSYTZMPVAFBLJJ-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388301 806630665 /nfs/dbraw/zinc/63/06/65/806630665.db2.gz YGPZGHOQZOFWSM-RDJZCZTQSA-N 2 1 260.425 3.429 20 0 CGADMP F[C@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255385071 806630782 /nfs/dbraw/zinc/63/07/82/806630782.db2.gz DPZFSUXXYPRDHC-YESZJQIVSA-N 2 1 276.399 3.131 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C34CC(C3)C4)CC2)cc1 ZINC001255384044 806630958 /nfs/dbraw/zinc/63/09/58/806630958.db2.gz SBJVXNHYHRLYDS-ADKAHSJRSA-N 2 1 270.420 3.183 20 0 CGADMP CC(C)[N@@H+](C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255398249 806633560 /nfs/dbraw/zinc/63/35/60/806633560.db2.gz JBKCGVIMAIFIOO-QGZVFWFLSA-N 2 1 260.425 3.381 20 0 CGADMP CC(C)[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255398249 806633565 /nfs/dbraw/zinc/63/35/65/806633565.db2.gz JBKCGVIMAIFIOO-QGZVFWFLSA-N 2 1 260.425 3.381 20 0 CGADMP CC(C)[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255398249 806633573 /nfs/dbraw/zinc/63/35/73/806633573.db2.gz JBKCGVIMAIFIOO-QGZVFWFLSA-N 2 1 260.425 3.381 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)CC(F)(F)F ZINC001255635186 806686035 /nfs/dbraw/zinc/68/60/35/806686035.db2.gz SBIPWZXCOWMWIY-NSHDSACASA-N 2 1 254.340 3.039 20 0 CGADMP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH3+])(CC2CCC2)CC1 ZINC001255642929 806689369 /nfs/dbraw/zinc/68/93/69/806689369.db2.gz ITYKCZVZHIVEAO-NSHDSACASA-N 2 1 278.362 3.311 20 0 CGADMP C[C@H](CC(F)(F)F)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255643520 806690570 /nfs/dbraw/zinc/69/05/70/806690570.db2.gz QHLZOZWMRSXNBU-NQBHXWOUSA-N 2 1 278.362 3.452 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CC(F)(F)F)[C@H](C)C1 ZINC001255646661 806693081 /nfs/dbraw/zinc/69/30/81/806693081.db2.gz REGQDJXSXJPTCG-UTUOFQBUSA-N 2 1 266.351 3.036 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649513 798872292 /nfs/dbraw/zinc/87/22/92/798872292.db2.gz MSTNOWUWGQJTMQ-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(C)c2)CC1 ZINC000050545489 798895036 /nfs/dbraw/zinc/89/50/36/798895036.db2.gz YEQBONMQQBBZNZ-UHFFFAOYSA-N 2 1 278.415 3.488 20 0 CGADMP C[C@H](COc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255672093 806701543 /nfs/dbraw/zinc/70/15/43/806701543.db2.gz ZCEOJWKWIDMRMK-MGNMYUMUSA-N 2 1 288.435 3.059 20 0 CGADMP C[C@H](COc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255672093 806701547 /nfs/dbraw/zinc/70/15/47/806701547.db2.gz ZCEOJWKWIDMRMK-MGNMYUMUSA-N 2 1 288.435 3.059 20 0 CGADMP CCC[N@H+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673874 806701774 /nfs/dbraw/zinc/70/17/74/806701774.db2.gz GUAPXWLGOFAZSL-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[N@@H+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673874 806701775 /nfs/dbraw/zinc/70/17/75/806701775.db2.gz GUAPXWLGOFAZSL-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[NH+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673874 806701777 /nfs/dbraw/zinc/70/17/77/806701777.db2.gz GUAPXWLGOFAZSL-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP CCC[NH+](CC1CC1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673874 806701780 /nfs/dbraw/zinc/70/17/80/806701780.db2.gz GUAPXWLGOFAZSL-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+](CC[NH3+])Cc2ccccc2)C[C@@H]1C ZINC000085025500 798941194 /nfs/dbraw/zinc/94/11/94/798941194.db2.gz UDVYDKVPWBICLF-HLLBOEOZSA-N 2 1 260.425 3.272 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](CC[NH3+])Cc2ccccc2)C[C@@H]1C ZINC000085025500 798941202 /nfs/dbraw/zinc/94/12/02/798941202.db2.gz UDVYDKVPWBICLF-HLLBOEOZSA-N 2 1 260.425 3.272 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+](CC[NH3+])Cc2ccccc2)C[C@@H]1C ZINC000085025496 798941624 /nfs/dbraw/zinc/94/16/24/798941624.db2.gz UDVYDKVPWBICLF-VYDXJSESSA-N 2 1 260.425 3.272 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](CC[NH3+])Cc2ccccc2)C[C@@H]1C ZINC000085025496 798941626 /nfs/dbraw/zinc/94/16/26/798941626.db2.gz UDVYDKVPWBICLF-VYDXJSESSA-N 2 1 260.425 3.272 20 0 CGADMP CC[N@H+](Cc1c(F)cccc1Cl)CC1CC[NH2+]CC1 ZINC000094011551 798967027 /nfs/dbraw/zinc/96/70/27/798967027.db2.gz RXTXBHUAKYFOHZ-UHFFFAOYSA-N 2 1 284.806 3.301 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000094901356 798971541 /nfs/dbraw/zinc/97/15/41/798971541.db2.gz KRDOVFGVNOUFMQ-MAUKXSAKSA-N 2 1 274.452 3.444 20 0 CGADMP FC(F)(F)[C@H]1CCC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001255726778 806721883 /nfs/dbraw/zinc/72/18/83/806721883.db2.gz QPXYTZMCZTVLIU-JSGCOSHPSA-N 2 1 290.373 3.278 20 0 CGADMP C[C@@H](CC[NH2+]C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379649329 799351326 /nfs/dbraw/zinc/35/13/26/799351326.db2.gz OMHDGIPRQWLIAM-HNNXBMFYSA-N 2 1 260.425 3.429 20 0 CGADMP Cc1c[nH+]ccc1NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000381086854 799372348 /nfs/dbraw/zinc/37/23/48/799372348.db2.gz VIRDYNWOWJLNTE-IBGZPJMESA-N 2 1 295.430 3.136 20 0 CGADMP C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381799689 799387649 /nfs/dbraw/zinc/38/76/49/799387649.db2.gz RSDGXOVFPVMQFX-YORMDBTCSA-N 2 1 278.827 3.239 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000381860221 799388797 /nfs/dbraw/zinc/38/87/97/799388797.db2.gz MDHKBQOZBFIMSG-WVTZPBJPSA-N 2 1 264.457 3.260 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2cc3[nH]ccc3c[nH+]2)[C@H](C)C1 ZINC001163363378 806747411 /nfs/dbraw/zinc/74/74/11/806747411.db2.gz QMHLWLYRUDNVCD-OCCSQVGLSA-N 2 1 272.396 3.094 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000392290754 799481393 /nfs/dbraw/zinc/48/13/93/799481393.db2.gz KKPOYZMTGCVHKG-IXDOHACOSA-N 2 1 262.441 3.197 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCCCCC2)cc1 ZINC000398327237 799529853 /nfs/dbraw/zinc/52/98/53/799529853.db2.gz OSXFOXXYDNFZFF-BWTSREIZSA-N 2 1 284.447 3.429 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCCCCC2)cc1 ZINC000398327237 799529856 /nfs/dbraw/zinc/52/98/56/799529856.db2.gz OSXFOXXYDNFZFF-BWTSREIZSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400505329 799547536 /nfs/dbraw/zinc/54/75/36/799547536.db2.gz HJIQVTOWWHPJAL-XUJVJEKNSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400505313 799547641 /nfs/dbraw/zinc/54/76/41/799547641.db2.gz HJIQVTOWWHPJAL-JMSVASOKSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)[C@@H]1CC[NH3+] ZINC000404416483 799576779 /nfs/dbraw/zinc/57/67/79/799576779.db2.gz GOAIJMKJYBCNDM-ZWNOBZJWSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)[C@@H]1CC[NH3+] ZINC000404416483 799576781 /nfs/dbraw/zinc/57/67/81/799576781.db2.gz GOAIJMKJYBCNDM-ZWNOBZJWSA-N 2 1 272.845 3.351 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC001255841556 806764881 /nfs/dbraw/zinc/76/48/81/806764881.db2.gz JIDXSRZIUBHWKS-HDMKZQKVSA-N 2 1 292.442 3.465 20 0 CGADMP CCCC[N@@H+](CC)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687955848 799740769 /nfs/dbraw/zinc/74/07/69/799740769.db2.gz YIULXFCOUVNTMS-UHFFFAOYSA-N 2 1 252.427 3.016 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCCCC1 ZINC000687963310 799743192 /nfs/dbraw/zinc/74/31/92/799743192.db2.gz RXVZWRCRCCOYEM-UHFFFAOYSA-N 2 1 264.438 3.158 20 0 CGADMP CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687968016 799743794 /nfs/dbraw/zinc/74/37/94/799743794.db2.gz GJJGVRBNFVCMMC-AAEUAGOBSA-N 2 1 264.438 3.014 20 0 CGADMP CC(C)[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699226133 799858287 /nfs/dbraw/zinc/85/82/87/799858287.db2.gz KRKNORCPADXJOZ-WTXIUTQJSA-N 2 1 250.430 3.028 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC001255940395 806789790 /nfs/dbraw/zinc/78/97/90/806789790.db2.gz BIMDVDDECWJGFM-HUUCEWRRSA-N 2 1 278.440 3.466 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cn1 ZINC001255947071 806792689 /nfs/dbraw/zinc/79/26/89/806792689.db2.gz NJXXPSDKWUOPKH-CABCVRRESA-N 2 1 263.429 3.161 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC001255947806 806794018 /nfs/dbraw/zinc/79/40/18/806794018.db2.gz WXHVFODOYTUXSK-GDBMZVCRSA-N 2 1 275.440 3.169 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1CC[NH2+]CC1 ZINC000709756031 800017108 /nfs/dbraw/zinc/01/71/08/800017108.db2.gz SNOIDYXNVCECSN-AWEZNQCLSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)[C@H]1CC[NH3+] ZINC000709756507 800017366 /nfs/dbraw/zinc/01/73/66/800017366.db2.gz UZIHMCIWONSPBU-ILXRZTDVSA-N 2 1 282.472 3.029 20 0 CGADMP CC(C)(C)C1CCC([NH+]2CC3(C2)CCC[NH2+]C3)CC1 ZINC000709968736 800024702 /nfs/dbraw/zinc/02/47/02/800024702.db2.gz CHGQPLQZZKKUOX-UHFFFAOYSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCOc2ccccc21 ZINC000710840809 800040429 /nfs/dbraw/zinc/04/04/29/800040429.db2.gz BMFDVLLPTZTIEB-HNNXBMFYSA-N 2 1 276.424 3.004 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](CC)Cc1ccncc1 ZINC001255954903 806798069 /nfs/dbraw/zinc/79/80/69/806798069.db2.gz KLBZHKXVSUNCAX-OAHLLOKOSA-N 2 1 263.429 3.024 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC)Cc1ccncc1 ZINC001255954903 806798072 /nfs/dbraw/zinc/79/80/72/806798072.db2.gz KLBZHKXVSUNCAX-OAHLLOKOSA-N 2 1 263.429 3.024 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001255960328 806799410 /nfs/dbraw/zinc/79/94/10/806799410.db2.gz GRXBBLIUHRIKNV-WBVHZDCISA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccccn1 ZINC001255960328 806799413 /nfs/dbraw/zinc/79/94/13/806799413.db2.gz GRXBBLIUHRIKNV-WBVHZDCISA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)CCOc1ccccc1 ZINC001255961462 806799664 /nfs/dbraw/zinc/79/96/64/806799664.db2.gz MYLKWEVLZJOBTD-MRXNPFEDSA-N 2 1 278.440 3.118 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCOc1ccccc1 ZINC001255961462 806799671 /nfs/dbraw/zinc/79/96/71/806799671.db2.gz MYLKWEVLZJOBTD-MRXNPFEDSA-N 2 1 278.440 3.118 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC001255963597 806800021 /nfs/dbraw/zinc/80/00/21/806800021.db2.gz JEPOKXOMYLQREJ-ZDUSSCGKSA-N 2 1 266.454 3.227 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC001255963597 806800030 /nfs/dbraw/zinc/80/00/30/806800030.db2.gz JEPOKXOMYLQREJ-ZDUSSCGKSA-N 2 1 266.454 3.227 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001255960327 806800130 /nfs/dbraw/zinc/80/01/30/806800130.db2.gz GRXBBLIUHRIKNV-RDJZCZTQSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]1c1ccccn1 ZINC001255960327 806800137 /nfs/dbraw/zinc/80/01/37/806800137.db2.gz GRXBBLIUHRIKNV-RDJZCZTQSA-N 2 1 275.440 3.339 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001255961499 806800285 /nfs/dbraw/zinc/80/02/85/806800285.db2.gz NITYICMVRUDRFX-WMZOPIPTSA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001255961499 806800295 /nfs/dbraw/zinc/80/02/95/806800295.db2.gz NITYICMVRUDRFX-WMZOPIPTSA-N 2 1 290.451 3.260 20 0 CGADMP Clc1ncsc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000713500893 800112356 /nfs/dbraw/zinc/11/23/56/800112356.db2.gz KZTHBEGTZSSCKB-GFCCVEGCSA-N 2 1 299.871 3.008 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000716330528 800169049 /nfs/dbraw/zinc/16/90/49/800169049.db2.gz YLYPAAGUMPXDHT-CMPLNLGQSA-N 2 1 287.234 3.266 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709687 800178751 /nfs/dbraw/zinc/17/87/51/800178751.db2.gz CPTWEKNWMGTHPD-OWLYRPNTSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000717462650 800201680 /nfs/dbraw/zinc/20/16/80/800201680.db2.gz IWJOTFJULMGPTF-CZUORRHYSA-N 2 1 264.457 3.418 20 0 CGADMP CSC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000720520375 800260266 /nfs/dbraw/zinc/26/02/66/800260266.db2.gz FXNNROKPGSKCDT-OZEOOWDWSA-N 2 1 282.497 3.123 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000723695972 800338448 /nfs/dbraw/zinc/33/84/48/800338448.db2.gz RBIQBVHKQFNDNZ-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723885036 800342760 /nfs/dbraw/zinc/34/27/60/800342760.db2.gz YILXXNQJFNLQRJ-NTZNESFSSA-N 2 1 284.806 3.457 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1CC[NH3+] ZINC000723920881 800344186 /nfs/dbraw/zinc/34/41/86/800344186.db2.gz AQEYUXXVOAZQKJ-BXUZGUMPSA-N 2 1 268.351 3.041 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000828339258 800482038 /nfs/dbraw/zinc/48/20/38/800482038.db2.gz ZWLPDRUMYUIGDC-FRRDWIJNSA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000828339258 800482042 /nfs/dbraw/zinc/48/20/42/800482042.db2.gz ZWLPDRUMYUIGDC-FRRDWIJNSA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000828339258 800482046 /nfs/dbraw/zinc/48/20/46/800482046.db2.gz ZWLPDRUMYUIGDC-FRRDWIJNSA-N 2 1 293.282 3.232 20 0 CGADMP CC(C)=CCC/C(C)=C/C[NH2+]C1CC[NH+](C)CC1 ZINC001256196314 806847865 /nfs/dbraw/zinc/84/78/65/806847865.db2.gz ISFBVSJZAZKSGP-OVCLIPMQSA-N 2 1 250.430 3.363 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000925705843 800632516 /nfs/dbraw/zinc/63/25/16/800632516.db2.gz IQKMWZYBHCZMSX-KRWDZBQOSA-N 2 1 262.441 3.197 20 0 CGADMP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cccn2c[nH+]cc12 ZINC001163901459 806849515 /nfs/dbraw/zinc/84/95/15/806849515.db2.gz DJGDEPKAMSXYLH-UHFFFAOYSA-N 2 1 296.761 3.390 20 0 CGADMP C[NH+]1CCC([NH2+]CC2(Cc3cccc(F)c3)CCC2)CC1 ZINC001256201592 806850559 /nfs/dbraw/zinc/85/05/59/806850559.db2.gz NDDPLJPGMVPLJZ-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001256357922 806865212 /nfs/dbraw/zinc/86/52/12/806865212.db2.gz BPUBBJUNTXSNMO-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001256357922 806865220 /nfs/dbraw/zinc/86/52/20/806865220.db2.gz BPUBBJUNTXSNMO-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001256357921 806865484 /nfs/dbraw/zinc/86/54/84/806865484.db2.gz BPUBBJUNTXSNMO-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001256357921 806865492 /nfs/dbraw/zinc/86/54/92/806865492.db2.gz BPUBBJUNTXSNMO-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccccn1 ZINC001256406001 806884997 /nfs/dbraw/zinc/88/49/97/806884997.db2.gz RFQSBELFKWUENX-IRXDYDNUSA-N 2 1 297.446 3.110 20 0 CGADMP COCC(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256524808 806909136 /nfs/dbraw/zinc/90/91/36/806909136.db2.gz YPBSRDWRWMSHSM-RDJZCZTQSA-N 2 1 290.451 3.054 20 0 CGADMP COCC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256524808 806909141 /nfs/dbraw/zinc/90/91/41/806909141.db2.gz YPBSRDWRWMSHSM-RDJZCZTQSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc3ncoc32)CC1 ZINC001256564175 806916893 /nfs/dbraw/zinc/91/68/93/806916893.db2.gz UNIWODWMJKIWMM-UHFFFAOYSA-N 2 1 287.407 3.180 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001256568834 806917421 /nfs/dbraw/zinc/91/74/21/806917421.db2.gz HGNKXRMZNPVTCU-QGZVFWFLSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001256568834 806917430 /nfs/dbraw/zinc/91/74/30/806917430.db2.gz HGNKXRMZNPVTCU-QGZVFWFLSA-N 2 1 287.451 3.481 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001257483414 807179180 /nfs/dbraw/zinc/17/91/80/807179180.db2.gz WBKFSQZLLJZSDV-QXSJWSMHSA-N 2 1 252.446 3.085 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001257483414 807179183 /nfs/dbraw/zinc/17/91/83/807179183.db2.gz WBKFSQZLLJZSDV-QXSJWSMHSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001256572473 806919471 /nfs/dbraw/zinc/91/94/71/806919471.db2.gz SODZSUPGMBUDBB-MRXNPFEDSA-N 2 1 287.451 3.134 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256573763 806919690 /nfs/dbraw/zinc/91/96/90/806919690.db2.gz NNERJBVFUOXNEC-UONOGXRCSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001257483414 807179188 /nfs/dbraw/zinc/17/91/88/807179188.db2.gz WBKFSQZLLJZSDV-QXSJWSMHSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001256615667 806926490 /nfs/dbraw/zinc/92/64/90/806926490.db2.gz PYNOWXYHVRWECN-YCXXCVGLSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001256615667 806926494 /nfs/dbraw/zinc/92/64/94/806926494.db2.gz PYNOWXYHVRWECN-YCXXCVGLSA-N 2 1 285.435 3.056 20 0 CGADMP CC[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612010 806926614 /nfs/dbraw/zinc/92/66/14/806926614.db2.gz BLOBMTQJLLUQBG-MRXNPFEDSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256612010 806926618 /nfs/dbraw/zinc/92/66/18/806926618.db2.gz BLOBMTQJLLUQBG-MRXNPFEDSA-N 2 1 272.436 3.383 20 0 CGADMP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001256617433 806927430 /nfs/dbraw/zinc/92/74/30/806927430.db2.gz OIXYRDYDVURLCS-GOOCMWNKSA-N 2 1 250.430 3.314 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1C(C)(C)c1ccnc(Cl)c1 ZINC001164474311 806951396 /nfs/dbraw/zinc/95/13/96/806951396.db2.gz PAGGYWALSCTJRJ-NWDGAFQWSA-N 2 1 281.831 3.029 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1C(C)(C)c1ccnc(Cl)c1 ZINC001164474311 806951401 /nfs/dbraw/zinc/95/14/01/806951401.db2.gz PAGGYWALSCTJRJ-NWDGAFQWSA-N 2 1 281.831 3.029 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC001116293027 802325158 /nfs/dbraw/zinc/32/51/58/802325158.db2.gz IDPNKWCFKBICCF-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(C)ccc32)C1 ZINC001116293026 802325327 /nfs/dbraw/zinc/32/53/27/802325327.db2.gz IDPNKWCFKBICCF-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC001181411092 810051479 /nfs/dbraw/zinc/05/14/79/810051479.db2.gz YIOIFEAFQTZOAG-JKSUJKDBSA-N 2 1 262.441 3.246 20 0 CGADMP F[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895272 806999849 /nfs/dbraw/zinc/99/98/49/806999849.db2.gz TUWCRHMDBCFRFE-OFQRWUPVSA-N 2 1 268.420 3.121 20 0 CGADMP F[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895272 806999851 /nfs/dbraw/zinc/99/98/51/806999851.db2.gz TUWCRHMDBCFRFE-OFQRWUPVSA-N 2 1 268.420 3.121 20 0 CGADMP CC1(C)C[C@@H](C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CCO1 ZINC001256904515 807006009 /nfs/dbraw/zinc/00/60/09/807006009.db2.gz IGQQGEIJRUEHEJ-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP CC1(C)C[C@@H](C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CCO1 ZINC001256904515 807006019 /nfs/dbraw/zinc/00/60/19/807006019.db2.gz IGQQGEIJRUEHEJ-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205280914 812928429 /nfs/dbraw/zinc/92/84/29/812928429.db2.gz LRXHEPRBFOFHHO-QGZVFWFLSA-N 2 1 260.425 3.342 20 0 CGADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243949564 803095643 /nfs/dbraw/zinc/09/56/43/803095643.db2.gz NBPWHOWKPKGAEP-QGZVFWFLSA-N 2 1 271.408 3.353 20 0 CGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243949564 803095648 /nfs/dbraw/zinc/09/56/48/803095648.db2.gz NBPWHOWKPKGAEP-QGZVFWFLSA-N 2 1 271.408 3.353 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(F)cc12 ZINC001137342698 803720853 /nfs/dbraw/zinc/72/08/53/803720853.db2.gz IZOYGMIJJOQXSF-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2ccc(O)c3ccccc23)CC1 ZINC001138060319 803844188 /nfs/dbraw/zinc/84/41/88/803844188.db2.gz XSFZJHBCALPHNL-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(O)c3ccccc23)CC1 ZINC001138060319 803844196 /nfs/dbraw/zinc/84/41/96/803844196.db2.gz XSFZJHBCALPHNL-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c3ccccc23)CC1 ZINC001138060319 803844207 /nfs/dbraw/zinc/84/42/07/803844207.db2.gz XSFZJHBCALPHNL-UHFFFAOYSA-N 2 1 298.430 3.462 20 0 CGADMP Cc1nc(Cl)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001245774168 803955330 /nfs/dbraw/zinc/95/53/30/803955330.db2.gz RKPIEPBHYMATGM-UHFFFAOYSA-N 2 1 298.777 3.045 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC001138544918 803964387 /nfs/dbraw/zinc/96/43/87/803964387.db2.gz PLPQGUSOAONSHI-CXAGYDPISA-N 2 1 287.382 3.361 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC001138544918 803964391 /nfs/dbraw/zinc/96/43/91/803964391.db2.gz PLPQGUSOAONSHI-CXAGYDPISA-N 2 1 287.382 3.361 20 0 CGADMP C[N@H+]1CC[C@@H](c2ccc(-c3ccc4c[nH+]cn4c3)cc2)C1 ZINC001245899299 804029963 /nfs/dbraw/zinc/02/99/63/804029963.db2.gz DUZOJIFUEHFJFJ-QGZVFWFLSA-N 2 1 277.371 3.420 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246070536 804108665 /nfs/dbraw/zinc/10/86/65/804108665.db2.gz CJEWLESMHYKAGF-MUJYYYPQSA-N 2 1 276.424 3.094 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC001246070657 804109106 /nfs/dbraw/zinc/10/91/06/804109106.db2.gz DGDYPCLFCDJQHU-GJZGRUSLSA-N 2 1 264.388 3.226 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246073580 804111777 /nfs/dbraw/zinc/11/17/77/804111777.db2.gz HPGFTEOEEWWWJN-HUUCEWRRSA-N 2 1 282.378 3.221 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2cc(F)cc(F)c2)C[C@@H](CC)[NH2+]1 ZINC001246076097 804114624 /nfs/dbraw/zinc/11/46/24/804114624.db2.gz WEZYRYKFLZBYEF-HUUCEWRRSA-N 2 1 282.378 3.364 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246097771 804129753 /nfs/dbraw/zinc/12/97/53/804129753.db2.gz MRAPRHNXYVZZRM-SWLSCSKDSA-N 2 1 282.378 3.221 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246103219 804136051 /nfs/dbraw/zinc/13/60/51/804136051.db2.gz GNVCPYNDMJDXMP-JHJVBQTASA-N 2 1 298.833 3.388 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246103361 804137046 /nfs/dbraw/zinc/13/70/46/804137046.db2.gz HQUXSCVKDJHKBL-TYNCELHUSA-N 2 1 298.833 3.388 20 0 CGADMP CCCC[C@@H](CCC)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246111805 804143287 /nfs/dbraw/zinc/14/32/87/804143287.db2.gz JSKCAHPSJCVICW-CABCVRRESA-N 2 1 258.425 3.417 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246116587 804148537 /nfs/dbraw/zinc/14/85/37/804148537.db2.gz GRUCNWRIZHZHQD-BZUAXINKSA-N 2 1 264.457 3.467 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246161982 804179665 /nfs/dbraw/zinc/17/96/65/804179665.db2.gz UXSBRZFOUWZCAW-LTIDMASMSA-N 2 1 282.472 3.092 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246166770 804182549 /nfs/dbraw/zinc/18/25/49/804182549.db2.gz CBEWSCPEABPBHI-MSOLQXFVSA-N 2 1 274.452 3.376 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246176525 804190907 /nfs/dbraw/zinc/19/09/07/804190907.db2.gz LNLGWESLZFCPSP-LSDHHAIUSA-N 2 1 258.425 3.273 20 0 CGADMP CCCCC(CCCC)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246174454 804189251 /nfs/dbraw/zinc/18/92/51/804189251.db2.gz LKVGWGWJFSXCAL-OAHLLOKOSA-N 2 1 258.425 3.417 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(N)c1 ZINC001246175648 804190528 /nfs/dbraw/zinc/19/05/28/804190528.db2.gz LZMHDMVYQYRYMT-ZOCIIQOWSA-N 2 1 295.430 3.413 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246183860 804194852 /nfs/dbraw/zinc/19/48/52/804194852.db2.gz UWSNPUFHSKUZNX-ZNMIVQPWSA-N 2 1 258.425 3.129 20 0 CGADMP CCC[C@@H](Cc1ccccc1)NC[C@]1(F)CCC[NH2+]C1 ZINC001246186446 804197033 /nfs/dbraw/zinc/19/70/33/804197033.db2.gz XLAUCCMEPTVFKT-IRXDYDNUSA-N 2 1 278.415 3.079 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246186446 804197035 /nfs/dbraw/zinc/19/70/35/804197035.db2.gz XLAUCCMEPTVFKT-IRXDYDNUSA-N 2 1 278.415 3.079 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246187022 804198300 /nfs/dbraw/zinc/19/83/00/804198300.db2.gz FKYZYRWVDCNWEC-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246191328 804199699 /nfs/dbraw/zinc/19/96/99/804199699.db2.gz VTQMVXWKWRPZDZ-ZWKOTPCHSA-N 2 1 274.452 3.376 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC001246198922 804204800 /nfs/dbraw/zinc/20/48/00/804204800.db2.gz ITTAMUZINZURRG-ZDUSSCGKSA-N 2 1 266.388 3.344 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246212316 804210992 /nfs/dbraw/zinc/21/09/92/804210992.db2.gz NMYKCGMBCYLPST-PIIMJCKOSA-N 3 1 295.515 3.151 20 0 CGADMP CCCC[C@H](CC(C)C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246228809 804221384 /nfs/dbraw/zinc/22/13/84/804221384.db2.gz JKVHPEATQUYBER-ZIAGYGMSSA-N 2 1 276.415 3.426 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246229059 804221883 /nfs/dbraw/zinc/22/18/83/804221883.db2.gz ZLLFUQJEAMDRMY-SKDRFNHKSA-N 2 1 290.304 3.075 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246228807 804222398 /nfs/dbraw/zinc/22/23/98/804222398.db2.gz JKVHPEATQUYBER-KGLIPLIRSA-N 2 1 276.415 3.426 20 0 CGADMP CCCCC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246272949 804249370 /nfs/dbraw/zinc/24/93/70/804249370.db2.gz MZYSRYNVZSYQHF-BYNSBNAKSA-N 2 1 268.445 3.033 20 0 CGADMP OCCCCCCCCCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246274660 804251213 /nfs/dbraw/zinc/25/12/13/804251213.db2.gz YYRUPFKPVSOHHD-KRWDZBQOSA-N 2 1 284.488 3.221 20 0 CGADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246316624 804276888 /nfs/dbraw/zinc/27/68/88/804276888.db2.gz ILHMVSTUGSPPNS-GDBMZVCRSA-N 2 1 294.414 3.091 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246339017 804293051 /nfs/dbraw/zinc/29/30/51/804293051.db2.gz BRLFUOYNYDFFNT-YNEHKIRRSA-N 2 1 280.378 3.475 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001246343002 804294146 /nfs/dbraw/zinc/29/41/46/804294146.db2.gz DJTGBDGBJPSJRV-ZFWWWQNUSA-N 2 1 280.481 3.439 20 0 CGADMP Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246341651 804295042 /nfs/dbraw/zinc/29/50/42/804295042.db2.gz BNASCDJDLXIZPD-CYBMUJFWSA-N 2 1 266.816 3.269 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246344946 804296815 /nfs/dbraw/zinc/29/68/15/804296815.db2.gz LKHVBORTGPIONL-HZMBPMFUSA-N 2 1 286.822 3.373 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C[NH2+]1 ZINC001246358034 804304027 /nfs/dbraw/zinc/30/40/27/804304027.db2.gz BYMCQCSNADZKQW-OASPWFOLSA-N 2 1 299.245 3.191 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C[NH2+]1 ZINC001246384544 804316629 /nfs/dbraw/zinc/31/66/29/804316629.db2.gz PQJLPKPQTDOIQG-XJKSGUPXSA-N 2 1 292.854 3.393 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246414952 804325095 /nfs/dbraw/zinc/32/50/95/804325095.db2.gz VUOIZRGZYBROPF-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP CC1(C)C[NH2+]C[C@H](C[NH2+]C2CCC3(CCCCC3)CC2)O1 ZINC001246413162 804325249 /nfs/dbraw/zinc/32/52/49/804325249.db2.gz NTTXAFBPVFUGDY-MRXNPFEDSA-N 2 1 294.483 3.236 20 0 CGADMP CC[C@@]1([NH2+][C@H](C)Cc2cccc(Cl)c2)CC[NH2+]C1 ZINC001246458611 804340600 /nfs/dbraw/zinc/34/06/00/804340600.db2.gz HINLOVAEMWINAB-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCCCC2CCCCC2)C[NH2+]1 ZINC001246480227 804353715 /nfs/dbraw/zinc/35/37/15/804353715.db2.gz WRCUQMJRLXMNOI-HOCLYGCPSA-N 2 1 252.446 3.467 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCCCC2CCCCC2)C[NH2+]1 ZINC001246480226 804355083 /nfs/dbraw/zinc/35/50/83/804355083.db2.gz WRCUQMJRLXMNOI-GOEBONIOSA-N 2 1 252.446 3.467 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246487843 804357046 /nfs/dbraw/zinc/35/70/46/804357046.db2.gz MUTOQYDWIZIAOG-UONOGXRCSA-N 2 1 276.415 3.426 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC001246491027 804358396 /nfs/dbraw/zinc/35/83/96/804358396.db2.gz RMBAWYBRWUQZAH-QWHCGFSZSA-N 2 1 274.399 3.180 20 0 CGADMP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246496506 804360733 /nfs/dbraw/zinc/36/07/33/804360733.db2.gz JPYLDVYJDBOQQX-NVXWUHKLSA-N 2 1 258.409 3.186 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246517635 804372680 /nfs/dbraw/zinc/37/26/80/804372680.db2.gz ALFQBXGWWXKOQL-DLBZAZTESA-N 2 1 274.452 3.328 20 0 CGADMP C[C@H]1CC[C@@H]([N@H+](Cc2ccccc2)C(C)(C)C)C[NH2+]1 ZINC001246519693 804373187 /nfs/dbraw/zinc/37/31/87/804373187.db2.gz POCQVFIMGCAGGV-GOEBONIOSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C(C)(C)C)C[NH2+]1 ZINC001246519693 804373197 /nfs/dbraw/zinc/37/31/97/804373197.db2.gz POCQVFIMGCAGGV-GOEBONIOSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246521908 804375315 /nfs/dbraw/zinc/37/53/15/804375315.db2.gz GYBFNRQDEKMYOS-OAHLLOKOSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246521291 804376772 /nfs/dbraw/zinc/37/67/72/804376772.db2.gz YQXWCHWTQQYGMX-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001246524442 804377793 /nfs/dbraw/zinc/37/77/93/804377793.db2.gz QRNQBPQQZLGVSQ-GOSISDBHSA-N 2 1 298.474 3.318 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246524316 804377967 /nfs/dbraw/zinc/37/79/67/804377967.db2.gz HVTZWCPUPAFSQY-INIZCTEOSA-N 2 1 276.399 3.180 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001246523528 804378557 /nfs/dbraw/zinc/37/85/57/804378557.db2.gz NFXGZDWEYQIIER-KRWDZBQOSA-N 2 1 286.463 3.392 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246530255 804381281 /nfs/dbraw/zinc/38/12/81/804381281.db2.gz KOYVOVYKTBCWOE-JKSUJKDBSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@@H+]([C@H](C)CC)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246530002 804382092 /nfs/dbraw/zinc/38/20/92/804382092.db2.gz MRMDNWWUDDVUDO-OAGGEKHMSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4cnccc43)C2)CC1 ZINC001140143746 804387669 /nfs/dbraw/zinc/38/76/69/804387669.db2.gz TYXQPCWXHFPKKH-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCC[C@@](C)([NH3+])C2)CC1 ZINC001246539393 804387831 /nfs/dbraw/zinc/38/78/31/804387831.db2.gz KNRKBYZMIYPZRD-ZBCRRDGASA-N 2 1 252.446 3.405 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246540642 804390582 /nfs/dbraw/zinc/39/05/82/804390582.db2.gz BWTKKHRQJAKGRH-GDBMZVCRSA-N 2 1 270.420 3.280 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246545980 804394606 /nfs/dbraw/zinc/39/46/06/804394606.db2.gz DQZVSLZNGQZNNL-NRXISQOPSA-N 2 1 256.409 3.108 20 0 CGADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001246547418 804395937 /nfs/dbraw/zinc/39/59/37/804395937.db2.gz CWSUFGDHXHQMPC-SJLPKXTDSA-N 2 1 294.483 3.055 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001246548232 804399734 /nfs/dbraw/zinc/39/97/34/804399734.db2.gz JPYCKPXIKOPXQQ-DOTOQJQBSA-N 2 1 278.415 3.079 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001246549942 804401070 /nfs/dbraw/zinc/40/10/70/804401070.db2.gz NSPNPVOBSUDKSB-FUHWJXTLSA-N 2 1 292.442 3.469 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246554525 804404277 /nfs/dbraw/zinc/40/42/77/804404277.db2.gz VZJGPHFCKHJTGC-HZSPNIEDSA-N 2 1 296.455 3.223 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246556812 804406602 /nfs/dbraw/zinc/40/66/02/804406602.db2.gz DQGRKNJFALQWOX-PIIMJCKOSA-N 2 1 272.436 3.428 20 0 CGADMP [NH3+]C[C@@]1(O)CCCC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246558549 804407849 /nfs/dbraw/zinc/40/78/49/804407849.db2.gz MEHKHNDRZKIKQY-SFHVURJKSA-N 2 1 294.483 3.055 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CC[C@H]1C[NH3+] ZINC001246558649 804408710 /nfs/dbraw/zinc/40/87/10/804408710.db2.gz NVJAWODRGTYTKZ-HACGYAERSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CC[C@@H]1C[NH3+] ZINC001246560613 804410651 /nfs/dbraw/zinc/41/06/51/804410651.db2.gz QQWNKJRVZLPNPX-YUELXQCFSA-N 2 1 292.854 3.114 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@](F)(C[NH3+])CC1)CC2 ZINC001246564707 804413500 /nfs/dbraw/zinc/41/35/00/804413500.db2.gz ZQHUSFSFROBCQI-ROUUACIJSA-N 2 1 290.426 3.005 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246571980 804418564 /nfs/dbraw/zinc/41/85/64/804418564.db2.gz CQAQSADNQVCNHF-ZWKOTPCHSA-N 2 1 274.452 3.459 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575809 804422423 /nfs/dbraw/zinc/42/24/23/804422423.db2.gz IZHRMRINMAVFKC-RRFJBIMHSA-N 2 1 258.425 3.354 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575809 804422429 /nfs/dbraw/zinc/42/24/29/804422429.db2.gz IZHRMRINMAVFKC-RRFJBIMHSA-N 2 1 258.425 3.354 20 0 CGADMP C[C@]1(F)CCCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246571636 804419670 /nfs/dbraw/zinc/41/96/70/804419670.db2.gz FARMXKGETCPWRW-OWCLPIDISA-N 2 1 268.420 3.123 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001246573510 804420458 /nfs/dbraw/zinc/42/04/58/804420458.db2.gz ROYCGZPOYPJKIG-TWMKSMIVSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@H]1CC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@H](C)C1 ZINC001246573034 804420526 /nfs/dbraw/zinc/42/05/26/804420526.db2.gz DWPTYVQVVXQPLQ-IIAWOOMASA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1C ZINC001246576943 804422686 /nfs/dbraw/zinc/42/26/86/804422686.db2.gz URBSZFYNHBJVQY-OWCLPIDISA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)OC1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246576658 804422831 /nfs/dbraw/zinc/42/28/31/804422831.db2.gz MFSINQVZEFWVOR-OFLPRAFFSA-N 2 1 282.472 3.174 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246578812 804424434 /nfs/dbraw/zinc/42/44/34/804424434.db2.gz CJRUUPPBIRRPQT-HOCLYGCPSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@]1(F)CCCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246579062 804424494 /nfs/dbraw/zinc/42/44/94/804424494.db2.gz XQYCLRDKWSTLNO-HWOWSKLDSA-N 2 1 268.420 3.123 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246585752 804429224 /nfs/dbraw/zinc/42/92/24/804429224.db2.gz QINKHDDGOJVABT-RHSMWYFYSA-N 2 1 278.415 3.208 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246585717 804429803 /nfs/dbraw/zinc/42/98/03/804429803.db2.gz QAKIRWLEKVAOIA-HIFRSBDPSA-N 2 1 272.502 3.358 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246591200 804433236 /nfs/dbraw/zinc/43/32/36/804433236.db2.gz MVEBIYSEVWHULG-IGCXYCKISA-N 2 1 292.854 3.257 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246591636 804433371 /nfs/dbraw/zinc/43/33/71/804433371.db2.gz NHPIKVNTTCOHPX-IPYPFGDCSA-N 2 1 292.854 3.257 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001246594013 804435190 /nfs/dbraw/zinc/43/51/90/804435190.db2.gz UVZFVXKJCRFKIN-RLFYNMQTSA-N 2 1 274.452 3.239 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246599232 804438922 /nfs/dbraw/zinc/43/89/22/804438922.db2.gz BIJVWVZZNXAAJA-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C[C@@H]1C ZINC001246605482 804442252 /nfs/dbraw/zinc/44/22/52/804442252.db2.gz KFHPRXYUMZTBEI-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)C2 ZINC001246609478 804443413 /nfs/dbraw/zinc/44/34/13/804443413.db2.gz YQTVPYRYQSICPY-UYAOXDASSA-N 2 1 298.474 3.460 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246609678 804444479 /nfs/dbraw/zinc/44/44/79/804444479.db2.gz MOLSTWFJLKHAEF-RHSMWYFYSA-N 2 1 292.854 3.489 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246612943 804446224 /nfs/dbraw/zinc/44/62/24/804446224.db2.gz JAULPUPPPJILCV-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246614985 804449117 /nfs/dbraw/zinc/44/91/17/804449117.db2.gz QJTGDOBAYJVSJT-MOPGFXCFSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)CC[C@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246616471 804449906 /nfs/dbraw/zinc/44/99/06/804449906.db2.gz WRSXONNAFROVFT-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246618428 804451451 /nfs/dbraw/zinc/45/14/51/804451451.db2.gz FNBGNILBCIRMAK-UKRRQHHQSA-N 2 1 270.486 3.125 20 0 CGADMP c1ccc2c(c1)CCCC21CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC001246617964 804451677 /nfs/dbraw/zinc/45/16/77/804451677.db2.gz DZKJLFROHPMINV-SFHVURJKSA-N 2 1 298.474 3.499 20 0 CGADMP CC1CCC([N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)CC1 ZINC001246618668 804453808 /nfs/dbraw/zinc/45/38/08/804453808.db2.gz ISZDINTUUNFOLO-VJFUWPCTSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246627293 804458687 /nfs/dbraw/zinc/45/86/87/804458687.db2.gz IYAUAUKODYEHLY-GUDVDZBRSA-N 2 1 284.447 3.398 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCC23CCCC3)CC[NH2+]1 ZINC001246628783 804458972 /nfs/dbraw/zinc/45/89/72/804458972.db2.gz ZRTBHOOEWFWVLB-GJZGRUSLSA-N 2 1 250.430 3.316 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]3(C1)CCCC[NH2+]3)CC2 ZINC001246629071 804460685 /nfs/dbraw/zinc/46/06/85/804460685.db2.gz ZLMHBVSCQCBGDW-MOPGFXCFSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@]3(C1)CCCC[NH2+]3)CC2 ZINC001246629071 804460688 /nfs/dbraw/zinc/46/06/88/804460688.db2.gz ZLMHBVSCQCBGDW-MOPGFXCFSA-N 2 1 284.447 3.070 20 0 CGADMP CCCCCC1CCC([N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001246629911 804460790 /nfs/dbraw/zinc/46/07/90/804460790.db2.gz HZXZGXXRTGWZBB-ODZFXCKXSA-N 2 1 264.457 3.419 20 0 CGADMP CCCCCC1CCC([N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001246629911 804460792 /nfs/dbraw/zinc/46/07/92/804460792.db2.gz HZXZGXXRTGWZBB-ODZFXCKXSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246632368 804462461 /nfs/dbraw/zinc/46/24/61/804462461.db2.gz UYLOWKNAMIOIQP-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246631839 804462522 /nfs/dbraw/zinc/46/25/22/804462522.db2.gz SVKGAULIAIIOBH-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632257 804462651 /nfs/dbraw/zinc/46/26/51/804462651.db2.gz WHYVSIBUUPTICL-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246632366 804462903 /nfs/dbraw/zinc/46/29/03/804462903.db2.gz UYLOWKNAMIOIQP-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246633968 804463676 /nfs/dbraw/zinc/46/36/76/804463676.db2.gz YWZCWMUPQLBRFC-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246637526 804465392 /nfs/dbraw/zinc/46/53/92/804465392.db2.gz ZMDVBLJDOWHDEV-ZGUYJTEBSA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@]4(CC[NH2+]4)C3)CC2)cc1 ZINC001246636092 804465884 /nfs/dbraw/zinc/46/58/84/804465884.db2.gz MJIAJRSGIVGPPQ-CTWPCTMYSA-N 2 1 284.447 3.226 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@]4(CC[NH2+]4)C3)CC2)cc1 ZINC001246636092 804465885 /nfs/dbraw/zinc/46/58/85/804465885.db2.gz MJIAJRSGIVGPPQ-CTWPCTMYSA-N 2 1 284.447 3.226 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246640137 804467839 /nfs/dbraw/zinc/46/78/39/804467839.db2.gz SFPVNOKKCUMGLS-CQSZACIVSA-N 2 1 292.854 3.347 20 0 CGADMP CCCCCC[C@H](CCCC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246640364 804467957 /nfs/dbraw/zinc/46/79/57/804467957.db2.gz GFBLZJBKYQJVIX-ROUUACIJSA-N 2 1 295.515 3.153 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246641085 804468907 /nfs/dbraw/zinc/46/89/07/804468907.db2.gz UPWGAGXLVPIJJE-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246641330 804469133 /nfs/dbraw/zinc/46/91/33/804469133.db2.gz XMPVMPWZDVEJFS-UHFFFAOYSA-N 2 1 284.447 3.010 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246644598 804471918 /nfs/dbraw/zinc/47/19/18/804471918.db2.gz RLFRHRXXGMOQQI-VQIMIIECSA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246644598 804471921 /nfs/dbraw/zinc/47/19/21/804471921.db2.gz RLFRHRXXGMOQQI-VQIMIIECSA-N 2 1 286.463 3.398 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645935 804473730 /nfs/dbraw/zinc/47/37/30/804473730.db2.gz FDCIRMBBDPBMJN-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645935 804473732 /nfs/dbraw/zinc/47/37/32/804473732.db2.gz FDCIRMBBDPBMJN-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645936 804474070 /nfs/dbraw/zinc/47/40/70/804474070.db2.gz FDCIRMBBDPBMJN-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645936 804474075 /nfs/dbraw/zinc/47/40/75/804474075.db2.gz FDCIRMBBDPBMJN-PMPSAXMXSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246647235 804475760 /nfs/dbraw/zinc/47/57/60/804475760.db2.gz JGKGJUGAFKWUHD-BZSNNMDCSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246647235 804475763 /nfs/dbraw/zinc/47/57/63/804475763.db2.gz JGKGJUGAFKWUHD-BZSNNMDCSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649209 804477242 /nfs/dbraw/zinc/47/72/42/804477242.db2.gz AVHMTMRMWRZAMG-IRXDYDNUSA-N 2 1 282.472 3.046 20 0 CGADMP C1C[C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C[C@@H]2C1 ZINC001246657246 804482049 /nfs/dbraw/zinc/48/20/49/804482049.db2.gz PQAXDDWLBVLQON-PMPSAXMXSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246656798 804482299 /nfs/dbraw/zinc/48/22/99/804482299.db2.gz FSFVJCYJTDRCFA-XECBFPEOSA-N 2 1 299.245 3.346 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660617 804483385 /nfs/dbraw/zinc/48/33/85/804483385.db2.gz WCYOYHMTUGYRQN-QYZOEREBSA-N 2 1 286.463 3.328 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246676179 804491683 /nfs/dbraw/zinc/49/16/83/804491683.db2.gz AJMBSQRUYNDIHZ-VQHPVUNQSA-N 2 1 264.457 3.277 20 0 CGADMP C1C[NH2+]C[C@H]([C@@H]2CCC[N@H+](C3CCCCCC3)C2)C1 ZINC001246678539 804493377 /nfs/dbraw/zinc/49/33/77/804493377.db2.gz OFPOPUVBQCHYQV-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C)CCC[NH3+] ZINC001246681780 804494480 /nfs/dbraw/zinc/49/44/80/804494480.db2.gz QNCMJQIWOFUBOS-NSHDSACASA-N 2 1 272.845 3.101 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246685711 804495621 /nfs/dbraw/zinc/49/56/21/804495621.db2.gz AWPVIYJBSCYYHJ-XHSDSOJGSA-N 2 1 268.420 3.145 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246682144 804496368 /nfs/dbraw/zinc/49/63/68/804496368.db2.gz SRFAWAMOCVJPNS-ZOBUZTSGSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246682144 804496373 /nfs/dbraw/zinc/49/63/73/804496373.db2.gz SRFAWAMOCVJPNS-ZOBUZTSGSA-N 2 1 258.409 3.272 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246689364 804497974 /nfs/dbraw/zinc/49/79/74/804497974.db2.gz JIWSQVDRWORHBQ-ARFHVFGLSA-N 2 1 270.436 3.369 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246693767 804499912 /nfs/dbraw/zinc/49/99/12/804499912.db2.gz QPRMWSDZFBMRNW-IRXDYDNUSA-N 2 1 284.463 3.471 20 0 CGADMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246769060 804502145 /nfs/dbraw/zinc/50/21/45/804502145.db2.gz HSKBKEDKWVFORX-NVXWUHKLSA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246779657 804506125 /nfs/dbraw/zinc/50/61/25/804506125.db2.gz IIBUXCQPVHAWRU-MSOLQXFVSA-N 2 1 274.452 3.315 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246779658 804506202 /nfs/dbraw/zinc/50/62/02/804506202.db2.gz IIBUXCQPVHAWRU-QZTJIDSGSA-N 2 1 274.452 3.315 20 0 CGADMP CC1(C)CC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246784764 804510276 /nfs/dbraw/zinc/51/02/76/804510276.db2.gz ZVDROOOCBRABDP-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246790822 804514228 /nfs/dbraw/zinc/51/42/28/804514228.db2.gz MZCCSWTXCITKCK-XUWVNRHRSA-N 2 1 250.430 3.314 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246796636 804518877 /nfs/dbraw/zinc/51/88/77/804518877.db2.gz MTEMHTZYDFOTTP-SJORKVTESA-N 2 1 260.425 3.069 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001140803586 804524488 /nfs/dbraw/zinc/52/44/88/804524488.db2.gz SFDHMMOUKYDTEO-QGZVFWFLSA-N 2 1 278.359 3.295 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001140803586 804524492 /nfs/dbraw/zinc/52/44/92/804524492.db2.gz SFDHMMOUKYDTEO-QGZVFWFLSA-N 2 1 278.359 3.295 20 0 CGADMP FC(F)(F)[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803577 804524815 /nfs/dbraw/zinc/52/48/15/804524815.db2.gz RUUVSMFMNLHZDX-NSHDSACASA-N 2 1 283.297 3.337 20 0 CGADMP FC(F)(F)[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803577 804524818 /nfs/dbraw/zinc/52/48/18/804524818.db2.gz RUUVSMFMNLHZDX-NSHDSACASA-N 2 1 283.297 3.337 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC[C@H]1c1cccc(OC)c1 ZINC001246810156 804526815 /nfs/dbraw/zinc/52/68/15/804526815.db2.gz YMLYVPQSEMVNQC-PBHICJAKSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246815659 804531594 /nfs/dbraw/zinc/53/15/94/804531594.db2.gz ZVUAFNXKCWDSHU-CHWSQXEVSA-N 2 1 298.883 3.362 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246815256 804531822 /nfs/dbraw/zinc/53/18/22/804531822.db2.gz WTHCGZHLSBAWDN-INIZCTEOSA-N 2 1 292.854 3.489 20 0 CGADMP c1ccc2c(c1)CCC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246816275 804532160 /nfs/dbraw/zinc/53/21/60/804532160.db2.gz IHSFSIZNAUBJSW-UHFFFAOYSA-N 2 1 284.447 3.357 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC001246826040 804539746 /nfs/dbraw/zinc/53/97/46/804539746.db2.gz AWHYDTXYGAJLSC-FHUSYTEZSA-N 2 1 278.362 3.023 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC001246826040 804539750 /nfs/dbraw/zinc/53/97/50/804539750.db2.gz AWHYDTXYGAJLSC-FHUSYTEZSA-N 2 1 278.362 3.023 20 0 CGADMP CCCCC[C@H](CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835307 804544024 /nfs/dbraw/zinc/54/40/24/804544024.db2.gz ITZYFYLWSRIALG-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246835356 804544285 /nfs/dbraw/zinc/54/42/85/804544285.db2.gz RNWSQQVTKIPZHM-JQHSSLGASA-N 2 1 290.426 3.392 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246838308 804546626 /nfs/dbraw/zinc/54/66/26/804546626.db2.gz GVGRHXUBEJAAQH-QGZVFWFLSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246839396 804547701 /nfs/dbraw/zinc/54/77/01/804547701.db2.gz AVTVLTYZJISRAM-NEWSRXKRSA-N 2 1 286.463 3.472 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839628 804547998 /nfs/dbraw/zinc/54/79/98/804547998.db2.gz JPEKXECWDYLCCF-YQQAZPJKSA-N 2 1 290.451 3.465 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839628 804548001 /nfs/dbraw/zinc/54/80/01/804548001.db2.gz JPEKXECWDYLCCF-YQQAZPJKSA-N 2 1 290.451 3.465 20 0 CGADMP CCCCCC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)CC1 ZINC001246838852 804548662 /nfs/dbraw/zinc/54/86/62/804548662.db2.gz WFDXDUDOWCGFEF-SSHXOBKSSA-N 2 1 270.436 3.497 20 0 CGADMP CCCCCC1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)CC1 ZINC001246838852 804548666 /nfs/dbraw/zinc/54/86/66/804548666.db2.gz WFDXDUDOWCGFEF-SSHXOBKSSA-N 2 1 270.436 3.497 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CC2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246841114 804549713 /nfs/dbraw/zinc/54/97/13/804549713.db2.gz MOCVZXJRIWTZKP-MUJYYYPQSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246843463 804551472 /nfs/dbraw/zinc/55/14/72/804551472.db2.gz CNGHZILZQALUPN-IRXDYDNUSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844266 804551484 /nfs/dbraw/zinc/55/14/84/804551484.db2.gz YDWLGCRQXGLJLQ-JQHSSLGASA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](CC1CCCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246844105 804552091 /nfs/dbraw/zinc/55/20/91/804552091.db2.gz XNHOPLMROAFERE-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843106 804552553 /nfs/dbraw/zinc/55/25/53/804552553.db2.gz UCCLGZQKZYOCQX-FCGDIQPGSA-N 2 1 286.463 3.457 20 0 CGADMP C[N@H+](Cc1cnco1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140932587 804552615 /nfs/dbraw/zinc/55/26/15/804552615.db2.gz TYFUVXWCDIKVDF-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246844626 804554939 /nfs/dbraw/zinc/55/49/39/804554939.db2.gz ZTJNUXHEACYEFP-DYVFJYSZSA-N 2 1 292.854 3.129 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001246845989 804555015 /nfs/dbraw/zinc/55/50/15/804555015.db2.gz OFWCXKDZZJSMMV-WBVHZDCISA-N 2 1 260.425 3.254 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246846503 804555431 /nfs/dbraw/zinc/55/54/31/804555431.db2.gz OFLFOGTXLCHPAP-OAGGEKHMSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H]1CCC[N@H+](C2C[C@H](CC)[NH2+][C@@H](CC)C2)C1 ZINC001246846543 804555561 /nfs/dbraw/zinc/55/55/61/804555561.db2.gz HOIZPDPBQHULLU-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+](CC)Cc2ccccc2F)CC[NH2+]1 ZINC001246846255 804555633 /nfs/dbraw/zinc/55/56/33/804555633.db2.gz NOHUEUIKUJKBFG-GJZGRUSLSA-N 2 1 264.388 3.178 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2ccccc2F)CC[NH2+]1 ZINC001246846255 804555640 /nfs/dbraw/zinc/55/56/40/804555640.db2.gz NOHUEUIKUJKBFG-GJZGRUSLSA-N 2 1 264.388 3.178 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+](CC)Cc2ccccc2F)CC[NH2+]1 ZINC001246846256 804555832 /nfs/dbraw/zinc/55/58/32/804555832.db2.gz NOHUEUIKUJKBFG-HUUCEWRRSA-N 2 1 264.388 3.178 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2ccccc2F)CC[NH2+]1 ZINC001246846256 804555838 /nfs/dbraw/zinc/55/58/38/804555838.db2.gz NOHUEUIKUJKBFG-HUUCEWRRSA-N 2 1 264.388 3.178 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246846536 804556964 /nfs/dbraw/zinc/55/69/64/804556964.db2.gz ONCLCUIQBOQTMH-IPMKNSEASA-N 2 1 286.463 3.329 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246846167 804556998 /nfs/dbraw/zinc/55/69/98/804556998.db2.gz QBNNAQDERQIFRW-ZWKOTPCHSA-N 2 1 284.447 3.398 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246848811 804557460 /nfs/dbraw/zinc/55/74/60/804557460.db2.gz OILUNXLMEFVVJJ-OAGGEKHMSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246847592 804557743 /nfs/dbraw/zinc/55/77/43/804557743.db2.gz UWXOZFNSAGNTEM-MJBXVCDLSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001246850798 804559567 /nfs/dbraw/zinc/55/95/67/804559567.db2.gz JUVFVVRAVQWDRZ-RISCZKNCSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850232 804559992 /nfs/dbraw/zinc/55/99/92/804559992.db2.gz INUPMCRATMKHEO-BJJXKVORSA-N 2 1 278.827 3.270 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246851062 804560064 /nfs/dbraw/zinc/56/00/64/804560064.db2.gz YDOWTOAQIKZTJG-NJAFHUGGSA-N 2 1 290.426 3.392 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246865447 804570116 /nfs/dbraw/zinc/57/01/16/804570116.db2.gz ZXNUVFDSTQRIES-HTHKGWQXSA-N 2 1 250.430 3.014 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246873588 804573518 /nfs/dbraw/zinc/57/35/18/804573518.db2.gz UEEAUCWGNJQOGT-ATZDWAIDSA-N 2 1 284.447 3.356 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246877205 804574419 /nfs/dbraw/zinc/57/44/19/804574419.db2.gz FEKRPDWSSZMCAM-KBPBESRZSA-N 2 1 276.424 3.046 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246875329 804575091 /nfs/dbraw/zinc/57/50/91/804575091.db2.gz ZZMOZGIKHNQCBS-YOEHRIQHSA-N 2 1 270.420 3.108 20 0 CGADMP CC[C@@H]1C[C@H]([NH+]2CC3CCC(CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246882333 804578528 /nfs/dbraw/zinc/57/85/28/804578528.db2.gz MTSMWKWONXSQHT-NDQLQDMOSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)CCCC[NH3+] ZINC001246895308 804584810 /nfs/dbraw/zinc/58/48/10/804584810.db2.gz UVAFSUMQDPIBIL-KRWDZBQOSA-N 2 1 262.441 3.315 20 0 CGADMP CC[C@@H]1CC([N@H+]2C[C@@H](C)CC23CC3)C[C@@H](CC)[NH2+]1 ZINC001246894403 804585333 /nfs/dbraw/zinc/58/53/33/804585333.db2.gz NOKJCQWROMHASU-BFHYXJOUSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)C2(C)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246909747 804592688 /nfs/dbraw/zinc/59/26/88/804592688.db2.gz KKFGDKWMSDVDHE-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCSc3ccccc3C2)CC[NH2+]1 ZINC001246909073 804592764 /nfs/dbraw/zinc/59/27/64/804592764.db2.gz ZIZBLINWSWXHGL-CVEARBPZSA-N 2 1 290.476 3.371 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCSc3ccccc3C2)CC[NH2+]1 ZINC001246909073 804592767 /nfs/dbraw/zinc/59/27/67/804592767.db2.gz ZIZBLINWSWXHGL-CVEARBPZSA-N 2 1 290.476 3.371 20 0 CGADMP C[C@@H](Cc1ccco1)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246912751 804596656 /nfs/dbraw/zinc/59/66/56/804596656.db2.gz FUENGJGGOPLYNJ-INIZCTEOSA-N 2 1 298.430 3.465 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246918398 804598966 /nfs/dbraw/zinc/59/89/66/804598966.db2.gz FDWKABILFMIWMB-NCOADZHNSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246918398 804598968 /nfs/dbraw/zinc/59/89/68/804598968.db2.gz FDWKABILFMIWMB-NCOADZHNSA-N 2 1 264.457 3.275 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927838 804604891 /nfs/dbraw/zinc/60/48/91/804604891.db2.gz IKMHTNJDSZZHLB-YESZJQIVSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927838 804604893 /nfs/dbraw/zinc/60/48/93/804604893.db2.gz IKMHTNJDSZZHLB-YESZJQIVSA-N 2 1 284.488 3.292 20 0 CGADMP COCC[N@H+]([C@H](C)C[C@H](C)CC(C)C)[C@H]1CCC[NH2+]C1 ZINC001246929473 804605885 /nfs/dbraw/zinc/60/58/85/804605885.db2.gz OWGKCNPVEZYXHR-ZACQAIPSSA-N 2 1 284.488 3.148 20 0 CGADMP COCC[N@@H+]([C@H](C)C[C@H](C)CC(C)C)[C@H]1CCC[NH2+]C1 ZINC001246929473 804605889 /nfs/dbraw/zinc/60/58/89/804605889.db2.gz OWGKCNPVEZYXHR-ZACQAIPSSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935794 804609366 /nfs/dbraw/zinc/60/93/66/804609366.db2.gz WUTFRWRIVXMYRJ-BMFZPTHFSA-N 2 1 292.854 3.202 20 0 CGADMP CCCCCC[C@H](C)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246949938 804616366 /nfs/dbraw/zinc/61/63/66/804616366.db2.gz MDEXPIPXNYQEGM-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246974613 804623989 /nfs/dbraw/zinc/62/39/89/804623989.db2.gz KTCDPSOXDAMNLP-WJFTUGDTSA-N 2 1 286.463 3.457 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246990002 804630219 /nfs/dbraw/zinc/63/02/19/804630219.db2.gz SRFAWAMOCVJPNS-YQQAZPJKSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246990002 804630223 /nfs/dbraw/zinc/63/02/23/804630223.db2.gz SRFAWAMOCVJPNS-YQQAZPJKSA-N 2 1 258.409 3.272 20 0 CGADMP CCC(CC)[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001247000522 804634414 /nfs/dbraw/zinc/63/44/14/804634414.db2.gz FSQZPEANVZNMFP-UHFFFAOYSA-N 2 1 258.409 3.270 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC001143447732 804853133 /nfs/dbraw/zinc/85/31/33/804853133.db2.gz GMLOVGKXNCAEER-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC001143447732 804853138 /nfs/dbraw/zinc/85/31/38/804853138.db2.gz GMLOVGKXNCAEER-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2cccc2)cc1 ZINC001144247233 804961537 /nfs/dbraw/zinc/96/15/37/804961537.db2.gz UFYZHGNXIWPJSD-UHFFFAOYSA-N 2 1 297.446 3.395 20 0 CGADMP [NH3+][C@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001154986815 805518633 /nfs/dbraw/zinc/51/86/33/805518633.db2.gz UMSTUQWAVGWJFN-STQMWFEESA-N 2 1 299.422 3.228 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(C(C)(C)C)c[nH+]1 ZINC001155029816 805526259 /nfs/dbraw/zinc/52/62/59/805526259.db2.gz NFWIWUJVBHQYMR-ZIAGYGMSSA-N 2 1 275.440 3.427 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)nc1 ZINC001257212775 807061801 /nfs/dbraw/zinc/06/18/01/807061801.db2.gz ACMOTJBLLUXGLR-SFHVURJKSA-N 2 1 287.451 3.304 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C)[C@H](C)C2)CC1 ZINC001257214618 807063916 /nfs/dbraw/zinc/06/39/16/807063916.db2.gz HWCJPKQHHWKHPW-HUUCEWRRSA-N 2 1 252.446 3.227 20 0 CGADMP CCC[C@@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001257327080 807109429 /nfs/dbraw/zinc/10/94/29/807109429.db2.gz GLBPPEHZRGZRBW-CQSZACIVSA-N 2 1 261.413 3.137 20 0 CGADMP CCCCCC1CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC001257370640 807129542 /nfs/dbraw/zinc/12/95/42/807129542.db2.gz RZIKSFPKPRUMMN-UHFFFAOYSA-N 2 1 296.499 3.172 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CCCSC2)CC1 ZINC001257665616 807207691 /nfs/dbraw/zinc/20/76/91/807207691.db2.gz DTVUKHAFXTYOCI-BPUTZDHNSA-N 2 1 282.497 3.397 20 0 CGADMP CC(C)OC1CCC([N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001257871439 807232191 /nfs/dbraw/zinc/23/21/91/807232191.db2.gz WUODBRWPWHDXKF-UHFFFAOYSA-N 2 1 290.451 3.184 20 0 CGADMP CC(C)OC1CCC([N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001257871439 807232197 /nfs/dbraw/zinc/23/21/97/807232197.db2.gz WUODBRWPWHDXKF-UHFFFAOYSA-N 2 1 290.451 3.184 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cccn2cc[nH+]c12 ZINC001167752490 807242744 /nfs/dbraw/zinc/24/27/44/807242744.db2.gz UHPNUCPHVMUIKX-CQSZACIVSA-N 2 1 272.396 3.011 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cccn2cc[nH+]c12 ZINC001167752490 807242748 /nfs/dbraw/zinc/24/27/48/807242748.db2.gz UHPNUCPHVMUIKX-CQSZACIVSA-N 2 1 272.396 3.011 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001167824659 807256065 /nfs/dbraw/zinc/25/60/65/807256065.db2.gz DOEIGIRPNPNCGE-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OC ZINC001167828009 807257135 /nfs/dbraw/zinc/25/71/35/807257135.db2.gz VISRWHXLVZOQFL-MHORFTMASA-N 2 1 296.499 3.244 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001258012158 807267064 /nfs/dbraw/zinc/26/70/64/807267064.db2.gz UIOSMLSMMSKFAY-CYBMUJFWSA-N 2 1 274.399 3.084 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001258012158 807267067 /nfs/dbraw/zinc/26/70/67/807267067.db2.gz UIOSMLSMMSKFAY-CYBMUJFWSA-N 2 1 274.399 3.084 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC001258014631 807267107 /nfs/dbraw/zinc/26/71/07/807267107.db2.gz PFVXBJYPOBZNFO-CABCVRRESA-N 2 1 252.446 3.227 20 0 CGADMP COCc1ccc2ccccc2c1NC(=[NH2+])SCC[NH3+] ZINC001167912020 807272510 /nfs/dbraw/zinc/27/25/10/807272510.db2.gz JFWTYWSXAJOEKI-UHFFFAOYSA-N 2 1 289.404 3.025 20 0 CGADMP c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167959892 807286912 /nfs/dbraw/zinc/28/69/12/807286912.db2.gz UGNJOUZGFRWSGL-MQVJKMGUSA-N 2 1 290.476 3.286 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962282 807287983 /nfs/dbraw/zinc/28/79/83/807287983.db2.gz WETQSXUXICNERT-CJFPBWAHSA-N 2 1 262.441 3.170 20 0 CGADMP c1cc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccn1 ZINC001167963760 807288511 /nfs/dbraw/zinc/28/85/11/807288511.db2.gz CPWRGRRSRWZODB-YQQQUEKLSA-N 2 1 299.462 3.009 20 0 CGADMP CN(C1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984277 807289654 /nfs/dbraw/zinc/28/96/54/807289654.db2.gz MHOVPNGMDOALLC-PBWFPOADSA-N 2 1 284.394 3.121 20 0 CGADMP C[N@H+](C1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984277 807289658 /nfs/dbraw/zinc/28/96/58/807289658.db2.gz MHOVPNGMDOALLC-PBWFPOADSA-N 2 1 284.394 3.121 20 0 CGADMP C[N@@H+](C1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984277 807289665 /nfs/dbraw/zinc/28/96/65/807289665.db2.gz MHOVPNGMDOALLC-PBWFPOADSA-N 2 1 284.394 3.121 20 0 CGADMP C[NH+](C1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167984277 807289671 /nfs/dbraw/zinc/28/96/71/807289671.db2.gz MHOVPNGMDOALLC-PBWFPOADSA-N 2 1 284.394 3.121 20 0 CGADMP C[NH+](C1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984277 807289679 /nfs/dbraw/zinc/28/96/79/807289679.db2.gz MHOVPNGMDOALLC-PBWFPOADSA-N 2 1 284.394 3.121 20 0 CGADMP [NH3+]CCc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167973422 807290868 /nfs/dbraw/zinc/29/08/68/807290868.db2.gz KEWDJKXQQYOBDV-YQQQUEKLSA-N 2 1 299.462 3.005 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258086380 807298472 /nfs/dbraw/zinc/29/84/72/807298472.db2.gz WBFYGVKRTURXBG-FUHWJXTLSA-N 2 1 294.483 3.212 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258086380 807298482 /nfs/dbraw/zinc/29/84/82/807298482.db2.gz WBFYGVKRTURXBG-FUHWJXTLSA-N 2 1 294.483 3.212 20 0 CGADMP Cc1[nH+]c2ccc(NC3(C)CC[NH2+]CC3)cc2n1C(C)C ZINC001168185540 807338989 /nfs/dbraw/zinc/33/89/89/807338989.db2.gz IGLWGKRFXQHTAR-UHFFFAOYSA-N 2 1 286.423 3.480 20 0 CGADMP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001258185144 807348903 /nfs/dbraw/zinc/34/89/03/807348903.db2.gz LJVOSRUXWNTEJQ-LSDHHAIUSA-N 2 1 264.413 3.052 20 0 CGADMP CN1CCC[C@@H]2C[N@H+](C3CCCCCCC3)C[C@H]21 ZINC001258242987 807384910 /nfs/dbraw/zinc/38/49/10/807384910.db2.gz CWEUFYXSRFXERN-GDBMZVCRSA-N 2 1 250.430 3.125 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168359920 807392673 /nfs/dbraw/zinc/39/26/73/807392673.db2.gz HWSLCDMVYCODOI-SFHVURJKSA-N 2 1 288.410 3.277 20 0 CGADMP Cc1noc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc12 ZINC001168366054 807395468 /nfs/dbraw/zinc/39/54/68/807395468.db2.gz JDZVLXVPRDCPSU-UHFFFAOYSA-N 2 1 299.418 3.100 20 0 CGADMP COc1cccc(C[N@H+](C)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168380405 807399289 /nfs/dbraw/zinc/39/92/89/807399289.db2.gz SCWXXXUEYRSUHZ-UHFFFAOYSA-N 2 1 288.435 3.001 20 0 CGADMP COc1cccc(C[N@@H+](C)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168380405 807399291 /nfs/dbraw/zinc/39/92/91/807399291.db2.gz SCWXXXUEYRSUHZ-UHFFFAOYSA-N 2 1 288.435 3.001 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168453858 807420486 /nfs/dbraw/zinc/42/04/86/807420486.db2.gz HXLFKTJMAOGGEB-HNNXBMFYSA-N 2 1 280.431 3.468 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168453858 807420489 /nfs/dbraw/zinc/42/04/89/807420489.db2.gz HXLFKTJMAOGGEB-HNNXBMFYSA-N 2 1 280.431 3.468 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258444434 807454403 /nfs/dbraw/zinc/45/44/03/807454403.db2.gz XCTJZLQBBXKXRM-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[C@@H](CC)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258444434 807454408 /nfs/dbraw/zinc/45/44/08/807454408.db2.gz XCTJZLQBBXKXRM-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[C@@H](CC)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258444434 807454411 /nfs/dbraw/zinc/45/44/11/807454411.db2.gz XCTJZLQBBXKXRM-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)C[N@@H+]([C@H](C)Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258616667 807510648 /nfs/dbraw/zinc/51/06/48/807510648.db2.gz AQHSLDKXPSUAKM-KBAYOESNSA-N 2 1 289.467 3.241 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001258654120 807524712 /nfs/dbraw/zinc/52/47/12/807524712.db2.gz HRZVPFIEBNVGLG-JQHSSLGASA-N 2 1 274.452 3.328 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001258654120 807524715 /nfs/dbraw/zinc/52/47/15/807524715.db2.gz HRZVPFIEBNVGLG-JQHSSLGASA-N 2 1 274.452 3.328 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258657702 807528287 /nfs/dbraw/zinc/52/82/87/807528287.db2.gz ZOFSLVWGEHSQQR-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258657702 807528294 /nfs/dbraw/zinc/52/82/94/807528294.db2.gz ZOFSLVWGEHSQQR-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258657702 807528301 /nfs/dbraw/zinc/52/83/01/807528301.db2.gz ZOFSLVWGEHSQQR-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258708446 807561147 /nfs/dbraw/zinc/56/11/47/807561147.db2.gz XUWNKHKDXPEWQH-DOTOQJQBSA-N 2 1 262.441 3.315 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169082499 807569413 /nfs/dbraw/zinc/56/94/13/807569413.db2.gz ZWMPQVKAAFHKGD-QSPRXWTASA-N 2 1 258.409 3.005 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001169099329 807575473 /nfs/dbraw/zinc/57/54/73/807575473.db2.gz PYNOWXYHVRWECN-DFGXFYAUSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169099329 807575480 /nfs/dbraw/zinc/57/54/80/807575480.db2.gz PYNOWXYHVRWECN-DFGXFYAUSA-N 2 1 285.435 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C3CC3)c1)C2 ZINC001169112827 807580228 /nfs/dbraw/zinc/58/02/28/807580228.db2.gz TXPNUKDDDXEZKC-NNZMDNLPSA-N 2 1 270.420 3.279 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCc3ccccc3CC1)C2 ZINC001169122783 807582821 /nfs/dbraw/zinc/58/28/21/807582821.db2.gz DONOQEUNKVNKNP-REPLKXPHSA-N 2 1 284.447 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3F)CC1)C2 ZINC001169118819 807583040 /nfs/dbraw/zinc/58/30/40/807583040.db2.gz OEYFZJNJPVUIIR-PHZGNYQRSA-N 2 1 288.410 3.116 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+](C)CCC[NH+](C)C ZINC001258745424 807588678 /nfs/dbraw/zinc/58/86/78/807588678.db2.gz NVBMOFPQPJUGAN-CYBMUJFWSA-N 2 1 268.832 3.155 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142445 807589730 /nfs/dbraw/zinc/58/97/30/807589730.db2.gz UVNSPGQWDFKWEL-ZSHCYNCHSA-N 2 1 278.827 3.397 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142445 807589735 /nfs/dbraw/zinc/58/97/35/807589735.db2.gz UVNSPGQWDFKWEL-ZSHCYNCHSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142445 807589739 /nfs/dbraw/zinc/58/97/39/807589739.db2.gz UVNSPGQWDFKWEL-ZSHCYNCHSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142445 807589743 /nfs/dbraw/zinc/58/97/43/807589743.db2.gz UVNSPGQWDFKWEL-ZSHCYNCHSA-N 2 1 278.827 3.397 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001169143065 807591151 /nfs/dbraw/zinc/59/11/51/807591151.db2.gz XDCJKZSFODRQNM-YRXWBPOGSA-N 2 1 284.447 3.176 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001169143065 807591155 /nfs/dbraw/zinc/59/11/55/807591155.db2.gz XDCJKZSFODRQNM-YRXWBPOGSA-N 2 1 284.447 3.176 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001169143065 807591159 /nfs/dbraw/zinc/59/11/59/807591159.db2.gz XDCJKZSFODRQNM-YRXWBPOGSA-N 2 1 284.447 3.176 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H]1c1ccccc1)C2 ZINC001169147472 807592753 /nfs/dbraw/zinc/59/27/53/807592753.db2.gz UFNYIIVPDKAZNT-LTIDMASMSA-N 2 1 256.393 3.059 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]1c1ccccc1)C2 ZINC001169147472 807592759 /nfs/dbraw/zinc/59/27/59/807592759.db2.gz UFNYIIVPDKAZNT-LTIDMASMSA-N 2 1 256.393 3.059 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H]1c1ccccc1)C2 ZINC001169147472 807592762 /nfs/dbraw/zinc/59/27/62/807592762.db2.gz UFNYIIVPDKAZNT-LTIDMASMSA-N 2 1 256.393 3.059 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152877 807594409 /nfs/dbraw/zinc/59/44/09/807594409.db2.gz FYZOWOOIGFVDJV-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152877 807594411 /nfs/dbraw/zinc/59/44/11/807594411.db2.gz FYZOWOOIGFVDJV-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152877 807594415 /nfs/dbraw/zinc/59/44/15/807594415.db2.gz FYZOWOOIGFVDJV-FVQHAEBGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2ccc(F)cc2)CC1 ZINC001169221485 807607335 /nfs/dbraw/zinc/60/73/35/807607335.db2.gz IUCQHDIXANADFG-UHFFFAOYSA-N 2 1 278.415 3.221 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001169259009 807616958 /nfs/dbraw/zinc/61/69/58/807616958.db2.gz YIHRKFAMJQVROR-UHFFFAOYSA-N 2 1 276.468 3.371 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001169259009 807616962 /nfs/dbraw/zinc/61/69/62/807616962.db2.gz YIHRKFAMJQVROR-UHFFFAOYSA-N 2 1 276.468 3.371 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001258817318 807634676 /nfs/dbraw/zinc/63/46/76/807634676.db2.gz RFLDNGJMRYFKIZ-WCVJEAGWSA-N 2 1 252.446 3.274 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258906929 807672838 /nfs/dbraw/zinc/67/28/38/807672838.db2.gz NBBAJCTXDXJFMZ-OKZBNKHCSA-N 3 1 297.531 3.205 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C[C@@H]1C ZINC001258906929 807672842 /nfs/dbraw/zinc/67/28/42/807672842.db2.gz NBBAJCTXDXJFMZ-OKZBNKHCSA-N 2 1 297.531 3.205 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC001258907929 807672928 /nfs/dbraw/zinc/67/29/28/807672928.db2.gz OLQUQNYWHCWSHW-OAHLLOKOSA-N 2 1 290.451 3.261 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cc(O)ccc2C1 ZINC001258910761 807673695 /nfs/dbraw/zinc/67/36/95/807673695.db2.gz UQXCVYDORUUDHT-HNNXBMFYSA-N 2 1 290.451 3.261 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC001261370933 807739592 /nfs/dbraw/zinc/73/95/92/807739592.db2.gz ZDGYDYUPYGOHOR-VIFPVBQESA-N 2 1 292.757 3.029 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001170087737 807752230 /nfs/dbraw/zinc/75/22/30/807752230.db2.gz KCXUWUUXDSXPIP-BZUAXINKSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001261566367 807757999 /nfs/dbraw/zinc/75/79/99/807757999.db2.gz CFTPFODHTFJJLI-LSDHHAIUSA-N 2 1 288.439 3.194 20 0 CGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@H]2CC[C@H](C)C2)CC1 ZINC001170115952 807762790 /nfs/dbraw/zinc/76/27/90/807762790.db2.gz BWJJSHRXNJEFJP-GJZGRUSLSA-N 2 1 288.435 3.134 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170117573 807764225 /nfs/dbraw/zinc/76/42/25/807764225.db2.gz MGLKQSWTXKGVBK-LEUOFYLZSA-N 2 1 287.451 3.342 20 0 CGADMP Cc1cccc(N([C@H]2CC[C@@H](C)C2)C2CC[NH2+]CC2)[nH+]1 ZINC001170159213 807779775 /nfs/dbraw/zinc/77/97/75/807779775.db2.gz RFGARVJDHRQOCD-CJNGLKHVSA-N 2 1 273.424 3.137 20 0 CGADMP C[NH+]1C(C)(C)CC(Nc2[nH+]cnc3[nH]ccc32)CC1(C)C ZINC001170453081 807845743 /nfs/dbraw/zinc/84/57/43/807845743.db2.gz JNCFOKYAWWLQKP-UHFFFAOYSA-N 2 1 287.411 3.021 20 0 CGADMP CSCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001262371731 807861193 /nfs/dbraw/zinc/86/11/93/807861193.db2.gz VIIUKSDXQNFHBI-KRWDZBQOSA-N 2 1 290.476 3.077 20 0 CGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170724571 807886322 /nfs/dbraw/zinc/88/63/22/807886322.db2.gz MPYGYKXVNQLHPZ-BJWYYQGGSA-N 2 1 299.462 3.383 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCCC4)C3)C[C@@H]21 ZINC001170731236 807890130 /nfs/dbraw/zinc/89/01/30/807890130.db2.gz OTESKCFNAWGVDL-NXOAAHMSSA-N 2 1 276.468 3.275 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCCC4)C3)C[C@@H]21 ZINC001170731236 807890138 /nfs/dbraw/zinc/89/01/38/807890138.db2.gz OTESKCFNAWGVDL-NXOAAHMSSA-N 2 1 276.468 3.275 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022193 807962883 /nfs/dbraw/zinc/96/28/83/807962883.db2.gz JTSCZLNZRIMITF-HUUCEWRRSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171097310 807983198 /nfs/dbraw/zinc/98/31/98/807983198.db2.gz XXTSQACVSMLBHN-DLBZAZTESA-N 2 1 292.854 3.271 20 0 CGADMP Cc1ccc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171554455 808094481 /nfs/dbraw/zinc/09/44/81/808094481.db2.gz HRPVXAIOGSBVJJ-UHFFFAOYSA-N 2 1 295.430 3.145 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)CC1(C)C ZINC001171630821 808108168 /nfs/dbraw/zinc/10/81/68/808108168.db2.gz CUARFSLTBLMWEW-BBRMVZONSA-N 2 1 288.426 3.410 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@](C)(F)[C@@H](F)C2)CC1(C)C ZINC001171630821 808108170 /nfs/dbraw/zinc/10/81/70/808108170.db2.gz CUARFSLTBLMWEW-BBRMVZONSA-N 2 1 288.426 3.410 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3CCCO[C@H]3C2)CC1(C)C ZINC001171631232 808108258 /nfs/dbraw/zinc/10/82/58/808108258.db2.gz GJNOPDBTJIFMFL-ZBFHGGJFSA-N 2 1 294.483 3.139 20 0 CGADMP CC(C)[N@H+]1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001171640343 808111645 /nfs/dbraw/zinc/11/16/45/808111645.db2.gz DFXQKXWCEGQWAQ-HNNXBMFYSA-N 2 1 295.515 3.052 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001171680026 808121463 /nfs/dbraw/zinc/12/14/63/808121463.db2.gz OIOYIWDFLVPVOX-PKOBYXMFSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001171680026 808121466 /nfs/dbraw/zinc/12/14/66/808121466.db2.gz OIOYIWDFLVPVOX-PKOBYXMFSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001171681663 808122933 /nfs/dbraw/zinc/12/29/33/808122933.db2.gz KYPYWEOCQVRDLZ-KRWDZBQOSA-N 2 1 286.463 3.486 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCCCCC1)C2 ZINC001172098573 808169627 /nfs/dbraw/zinc/16/96/27/808169627.db2.gz ASCGPQZOYLSGFG-MUJYYYPQSA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCCCCC1)C2 ZINC001172098573 808169630 /nfs/dbraw/zinc/16/96/30/808169630.db2.gz ASCGPQZOYLSGFG-MUJYYYPQSA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc3ccccc3cn1)C2 ZINC001172101723 808172175 /nfs/dbraw/zinc/17/21/75/808172175.db2.gz ADIGXWWZXFGOKJ-LUPIEILUSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc3ncccc13)C2 ZINC001172104419 808174882 /nfs/dbraw/zinc/17/48/82/808174882.db2.gz FSRTZFHEVOKYFC-OSYLJGHBSA-N 2 1 295.430 3.340 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172103567 808174923 /nfs/dbraw/zinc/17/49/23/808174923.db2.gz VXTNCJKEWYWMOT-REPLKXPHSA-N 2 1 286.463 3.451 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103170 808175193 /nfs/dbraw/zinc/17/51/93/808175193.db2.gz TZCPVBOHCWKABH-YHUYYLMFSA-N 2 1 288.435 3.361 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103170 808175196 /nfs/dbraw/zinc/17/51/96/808175196.db2.gz TZCPVBOHCWKABH-YHUYYLMFSA-N 2 1 288.435 3.361 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107135 808175564 /nfs/dbraw/zinc/17/55/64/808175564.db2.gz SOZMVTFZBOTXFA-YHUYYLMFSA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107135 808175567 /nfs/dbraw/zinc/17/55/67/808175567.db2.gz SOZMVTFZBOTXFA-YHUYYLMFSA-N 2 1 252.446 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3cccnc31)C2 ZINC001172107455 808176886 /nfs/dbraw/zinc/17/68/86/808176886.db2.gz XUHFWTGZYGXDDR-YVSFHVDLSA-N 2 1 285.435 3.064 20 0 CGADMP Cn1ccc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc21 ZINC001172110091 808177656 /nfs/dbraw/zinc/17/76/56/808177656.db2.gz JZMKDZFJQKBTMG-BCDXTJNWSA-N 2 1 297.446 3.283 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001172111260 808177838 /nfs/dbraw/zinc/17/78/38/808177838.db2.gz QWLFLNALSVFVFD-IECFSIQFSA-N 2 1 288.410 3.287 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)cc1)C2 ZINC001172111260 808177842 /nfs/dbraw/zinc/17/78/42/808177842.db2.gz QWLFLNALSVFVFD-IECFSIQFSA-N 2 1 288.410 3.287 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(CC3CC3)CC1)C2 ZINC001172109878 808177933 /nfs/dbraw/zinc/17/79/33/808177933.db2.gz GIHSSPFOUMPZAG-PHZGNYQRSA-N 2 1 262.441 3.172 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C1)C2 ZINC001172110583 808177995 /nfs/dbraw/zinc/17/79/95/808177995.db2.gz KSXBBHOVBQWTSZ-JONQDZQNSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001172115108 808181256 /nfs/dbraw/zinc/18/12/56/808181256.db2.gz UNXPDKGXYVAOQZ-CRWXNKLISA-N 2 1 290.373 3.071 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001172115108 808181257 /nfs/dbraw/zinc/18/12/57/808181257.db2.gz UNXPDKGXYVAOQZ-CRWXNKLISA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001172115108 808181260 /nfs/dbraw/zinc/18/12/60/808181260.db2.gz UNXPDKGXYVAOQZ-CRWXNKLISA-N 2 1 290.373 3.071 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001172115108 808181263 /nfs/dbraw/zinc/18/12/63/808181263.db2.gz UNXPDKGXYVAOQZ-CRWXNKLISA-N 2 1 290.373 3.071 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)C2 ZINC001172119289 808182153 /nfs/dbraw/zinc/18/21/53/808182153.db2.gz YBFOOYKNNMYQEP-MHORFTMASA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)C2 ZINC001172119289 808182157 /nfs/dbraw/zinc/18/21/57/808182157.db2.gz YBFOOYKNNMYQEP-MHORFTMASA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC(F)C3)CC1)C2 ZINC001172120747 808182302 /nfs/dbraw/zinc/18/23/02/808182302.db2.gz MFQHIUHPNSKOOM-ZSHCYNCHSA-N 2 1 280.431 3.216 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001172121944 808182425 /nfs/dbraw/zinc/18/24/25/808182425.db2.gz NQRWALQGBJQDOV-FQUUOJAGSA-N 2 1 290.373 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001172121944 808182429 /nfs/dbraw/zinc/18/24/29/808182429.db2.gz NQRWALQGBJQDOV-FQUUOJAGSA-N 2 1 290.373 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001172121944 808182431 /nfs/dbraw/zinc/18/24/31/808182431.db2.gz NQRWALQGBJQDOV-FQUUOJAGSA-N 2 1 290.373 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001172121944 808182436 /nfs/dbraw/zinc/18/24/36/808182436.db2.gz NQRWALQGBJQDOV-FQUUOJAGSA-N 2 1 290.373 3.276 20 0 CGADMP C[C@H]1CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122247 808184290 /nfs/dbraw/zinc/18/42/90/808184290.db2.gz YHQPREGKDJRNCW-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172122247 808184293 /nfs/dbraw/zinc/18/42/93/808184293.db2.gz YHQPREGKDJRNCW-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172122247 808184295 /nfs/dbraw/zinc/18/42/95/808184295.db2.gz YHQPREGKDJRNCW-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172122247 808184297 /nfs/dbraw/zinc/18/42/97/808184297.db2.gz YHQPREGKDJRNCW-JONQDZQNSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172349075 808247363 /nfs/dbraw/zinc/24/73/63/808247363.db2.gz SMFJAIYEOYFADD-GJZGRUSLSA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172349075 808247367 /nfs/dbraw/zinc/24/73/67/808247367.db2.gz SMFJAIYEOYFADD-GJZGRUSLSA-N 2 1 282.472 3.139 20 0 CGADMP CC(C)OCC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436860 808312639 /nfs/dbraw/zinc/31/26/39/808312639.db2.gz JRWIQIODCNDPMK-JYJNAYRXSA-N 2 1 270.461 3.170 20 0 CGADMP CC(C)C[N@@H+]([C@H](C)CCOC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172446030 808319183 /nfs/dbraw/zinc/31/91/83/808319183.db2.gz VGIBWVPLEDNSAK-BRWVUGGUSA-N 2 1 284.488 3.418 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172461140 808331627 /nfs/dbraw/zinc/33/16/27/808331627.db2.gz AFGORWMDRMVARV-VQHPVUNQSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172461140 808331633 /nfs/dbraw/zinc/33/16/33/808331633.db2.gz AFGORWMDRMVARV-VQHPVUNQSA-N 2 1 282.472 3.043 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172710125 808414572 /nfs/dbraw/zinc/41/45/72/808414572.db2.gz IUPSDXBSZYPNAJ-ULQDDVLXSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)CCC[NH+](C)C ZINC001172849211 808461756 /nfs/dbraw/zinc/46/17/56/808461756.db2.gz KQKKVWCASNHENO-GFCCVEGCSA-N 2 1 286.822 3.294 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)CCC[NH+](C)C ZINC001172849211 808461758 /nfs/dbraw/zinc/46/17/58/808461758.db2.gz KQKKVWCASNHENO-GFCCVEGCSA-N 2 1 286.822 3.294 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172863731 808467611 /nfs/dbraw/zinc/46/76/11/808467611.db2.gz PXHLYQNMRAFCSA-JTQLQIEISA-N 2 1 295.789 3.289 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)n1cc[nH+]c1CCC[NH3+] ZINC001172865251 808469349 /nfs/dbraw/zinc/46/93/49/808469349.db2.gz KVYQHKGMODQPBB-LLVKDONJSA-N 2 1 295.789 3.371 20 0 CGADMP CO[C@H]1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172926980 808484839 /nfs/dbraw/zinc/48/48/39/808484839.db2.gz DLXHOQYGOKTBGZ-HJWJTTGWSA-N 2 1 280.456 3.068 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001173110342 808513720 /nfs/dbraw/zinc/51/37/20/808513720.db2.gz RVEVRJIGFSSACZ-FJBKBRRZSA-N 2 1 288.426 3.411 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC2(CCCCC2)CC1 ZINC001173118196 808515097 /nfs/dbraw/zinc/51/50/97/808515097.db2.gz IQNOQYAUZWZMFL-AWEZNQCLSA-N 2 1 252.446 3.406 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(Oc2ccccc2)CC1 ZINC001173198096 808534754 /nfs/dbraw/zinc/53/47/54/808534754.db2.gz NYANYHPOXFKWDI-UHFFFAOYSA-N 2 1 299.418 3.255 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC001173234442 808543140 /nfs/dbraw/zinc/54/31/40/808543140.db2.gz AWARDAZUTUBCOU-RWBZWWBESA-N 2 1 274.452 3.382 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001173248303 808555250 /nfs/dbraw/zinc/55/52/50/808555250.db2.gz UBAVKHPNKCKUDT-MRXNPFEDSA-N 2 1 286.463 3.350 20 0 CGADMP CCSC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001173294864 808595028 /nfs/dbraw/zinc/59/50/28/808595028.db2.gz IKMIUZVMPCJECA-ZDUSSCGKSA-N 2 1 296.455 3.217 20 0 CGADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3c2cccc3Cl)C1 ZINC001173357910 808630175 /nfs/dbraw/zinc/63/01/75/808630175.db2.gz LKFOCDUKMUVJFI-CYBMUJFWSA-N 2 1 291.826 3.063 20 0 CGADMP CC[N@H+]1CC[C@H](n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)C1 ZINC001173373477 808633749 /nfs/dbraw/zinc/63/37/49/808633749.db2.gz XOVSUUZLWMJAGV-GOEBONIOSA-N 2 1 298.434 3.118 20 0 CGADMP CC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275051183 808901716 /nfs/dbraw/zinc/90/17/16/808901716.db2.gz QETJILABCZUUPS-GOSISDBHSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)(C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275051183 808901721 /nfs/dbraw/zinc/90/17/21/808901721.db2.gz QETJILABCZUUPS-GOSISDBHSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)(C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275051183 808901727 /nfs/dbraw/zinc/90/17/27/808901727.db2.gz QETJILABCZUUPS-GOSISDBHSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)(C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275051183 808901732 /nfs/dbraw/zinc/90/17/32/808901732.db2.gz QETJILABCZUUPS-GOSISDBHSA-N 2 1 289.467 3.349 20 0 CGADMP CC[C@@H](C)C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275063578 808903582 /nfs/dbraw/zinc/90/35/82/808903582.db2.gz CBNLVNVYICUBRA-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275063578 808903588 /nfs/dbraw/zinc/90/35/88/808903588.db2.gz CBNLVNVYICUBRA-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(C)c1 ZINC001275283685 808925078 /nfs/dbraw/zinc/92/50/78/808925078.db2.gz TVPZUCLFFLHDMP-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)c1 ZINC001275283685 808925085 /nfs/dbraw/zinc/92/50/85/808925085.db2.gz TVPZUCLFFLHDMP-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)c1 ZINC001275283685 808925094 /nfs/dbraw/zinc/92/50/94/808925094.db2.gz TVPZUCLFFLHDMP-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CCCC2 ZINC001275534239 808946299 /nfs/dbraw/zinc/94/62/99/808946299.db2.gz ZTASPKFYXHGIEY-AYHJJNSGSA-N 2 1 284.447 3.280 20 0 CGADMP Cc1cccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1F ZINC001276304740 809001801 /nfs/dbraw/zinc/00/18/01/809001801.db2.gz JMUYIYRWJZXTDY-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(C)s1 ZINC001276665434 809024125 /nfs/dbraw/zinc/02/41/25/809024125.db2.gz MJVJAVVZKBRNEW-GASCZTMLSA-N 2 1 278.465 3.139 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)s1 ZINC001276665434 809024133 /nfs/dbraw/zinc/02/41/33/809024133.db2.gz MJVJAVVZKBRNEW-GASCZTMLSA-N 2 1 278.465 3.139 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(C)s1 ZINC001276665434 809024138 /nfs/dbraw/zinc/02/41/38/809024138.db2.gz MJVJAVVZKBRNEW-GASCZTMLSA-N 2 1 278.465 3.139 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)c1Cl ZINC001276812083 809033225 /nfs/dbraw/zinc/03/32/25/809033225.db2.gz DHXGMPWCCDZCIG-GOOCMWNKSA-N 2 1 278.827 3.363 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1Cl ZINC001276812083 809033232 /nfs/dbraw/zinc/03/32/32/809033232.db2.gz DHXGMPWCCDZCIG-GOOCMWNKSA-N 2 1 278.827 3.363 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3c1CCC3)CC2 ZINC001277478920 809077765 /nfs/dbraw/zinc/07/77/65/809077765.db2.gz NVFSRJKAIJWDRO-UHFFFAOYSA-N 2 1 284.447 3.093 20 0 CGADMP CC(C)[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277796269 809096571 /nfs/dbraw/zinc/09/65/71/809096571.db2.gz CCMDNCLZCSFIDF-OKILXGFUSA-N 2 1 292.389 3.381 20 0 CGADMP CC(C)[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277796269 809096578 /nfs/dbraw/zinc/09/65/78/809096578.db2.gz CCMDNCLZCSFIDF-OKILXGFUSA-N 2 1 292.389 3.381 20 0 CGADMP CC(C)[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277796269 809096585 /nfs/dbraw/zinc/09/65/85/809096585.db2.gz CCMDNCLZCSFIDF-OKILXGFUSA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CCC(C(C)(C)C)CC3)C[C@H]21 ZINC001175070182 809259240 /nfs/dbraw/zinc/25/92/40/809259240.db2.gz LOTIEEDTRCBCBR-NDQLQDMOSA-N 2 1 278.484 3.331 20 0 CGADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CCC(C(C)(C)C)CC3)C[C@H]21 ZINC001175070182 809259242 /nfs/dbraw/zinc/25/92/42/809259242.db2.gz LOTIEEDTRCBCBR-NDQLQDMOSA-N 2 1 278.484 3.331 20 0 CGADMP COc1ccc(CNCCC[N@@H+](C)C(C)C)c(Cl)c1 ZINC001177231161 809788486 /nfs/dbraw/zinc/78/84/86/809788486.db2.gz CUNCWDLQCWTUGT-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001177294048 809791836 /nfs/dbraw/zinc/79/18/36/809791836.db2.gz CPVSMFPBXBTCPV-NXHRZFHOSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cnc1Cl ZINC001177742296 809818467 /nfs/dbraw/zinc/81/84/67/809818467.db2.gz HCAJJFCUWRRMDI-AWEZNQCLSA-N 2 1 295.858 3.253 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cnc1Cl ZINC001177742296 809818474 /nfs/dbraw/zinc/81/84/74/809818474.db2.gz HCAJJFCUWRRMDI-AWEZNQCLSA-N 2 1 295.858 3.253 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001177795050 809822679 /nfs/dbraw/zinc/82/26/79/809822679.db2.gz MNMJLIAUUXBQOD-YESZJQIVSA-N 2 1 282.472 3.188 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001177795050 809822682 /nfs/dbraw/zinc/82/26/82/809822682.db2.gz MNMJLIAUUXBQOD-YESZJQIVSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001178916860 809894129 /nfs/dbraw/zinc/89/41/29/809894129.db2.gz PRIFPAAFSRMQRZ-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001179081781 809903605 /nfs/dbraw/zinc/90/36/05/809903605.db2.gz OHCONIBUFYRNOE-ROUUACIJSA-N 2 1 274.452 3.358 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906266 809957038 /nfs/dbraw/zinc/95/70/38/809957038.db2.gz WHGSBDPGWINSIR-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906266 809957043 /nfs/dbraw/zinc/95/70/43/809957043.db2.gz WHGSBDPGWINSIR-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906266 809957049 /nfs/dbraw/zinc/95/70/49/809957049.db2.gz WHGSBDPGWINSIR-DNVCBOLYSA-N 2 1 286.463 3.337 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695619 810156917 /nfs/dbraw/zinc/15/69/17/810156917.db2.gz GPBVTNSOWQHMBO-KANFNMMFSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@H]1C[C@H]1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695619 810156918 /nfs/dbraw/zinc/15/69/18/810156918.db2.gz GPBVTNSOWQHMBO-KANFNMMFSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695619 810156921 /nfs/dbraw/zinc/15/69/21/810156921.db2.gz GPBVTNSOWQHMBO-KANFNMMFSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695619 810156923 /nfs/dbraw/zinc/15/69/23/810156923.db2.gz GPBVTNSOWQHMBO-KANFNMMFSA-N 2 1 284.447 3.096 20 0 CGADMP Cc1cccc(CCC[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001196631748 811354709 /nfs/dbraw/zinc/35/47/09/811354709.db2.gz IXDHOOACYPTFEW-RTBURBONSA-N 2 1 286.463 3.201 20 0 CGADMP CCCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591304 811431688 /nfs/dbraw/zinc/43/16/88/811431688.db2.gz XFZBYJJVFXOUBF-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591304 811431694 /nfs/dbraw/zinc/43/16/94/811431694.db2.gz XFZBYJJVFXOUBF-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591304 811431700 /nfs/dbraw/zinc/43/17/00/811431700.db2.gz XFZBYJJVFXOUBF-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP CCCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591304 811431705 /nfs/dbraw/zinc/43/17/05/811431705.db2.gz XFZBYJJVFXOUBF-ZWKOTPCHSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC001200715273 811737996 /nfs/dbraw/zinc/73/79/96/811737996.db2.gz VALRXNHBTFMWNC-MRXNPFEDSA-N 2 1 299.418 3.128 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)[C@H]1OC ZINC001201760880 811962846 /nfs/dbraw/zinc/96/28/46/811962846.db2.gz JXYWUHQOPBFNKE-KLHDSHLOSA-N 2 1 296.499 3.289 20 0 CGADMP Fc1c(Cl)cccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001202750701 812165636 /nfs/dbraw/zinc/16/56/36/812165636.db2.gz YJGHFPMTAQIXGG-UHFFFAOYSA-N 2 1 289.741 3.417 20 0 CGADMP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccccc2)C3)c1 ZINC001203309217 812305351 /nfs/dbraw/zinc/30/53/51/812305351.db2.gz OHFWPUKQOPOYBI-HDICACEKSA-N 2 1 296.414 3.234 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4ccccc34)C2)CC1 ZINC001204049218 812533104 /nfs/dbraw/zinc/53/31/04/812533104.db2.gz VDSAAVNPIKRTEJ-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001204068421 812539299 /nfs/dbraw/zinc/53/92/99/812539299.db2.gz HHMZLZLGUNGYLF-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001204068421 812539303 /nfs/dbraw/zinc/53/93/03/812539303.db2.gz HHMZLZLGUNGYLF-SFHVURJKSA-N 2 1 287.451 3.230 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccnc4ccccc34)C2)CC1 ZINC001204092263 812548236 /nfs/dbraw/zinc/54/82/36/812548236.db2.gz ZZKCBGOFTLUWFI-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCCCC2)[C@@H](C)C1 ZINC001204247825 812585060 /nfs/dbraw/zinc/58/50/60/812585060.db2.gz CUCOVLUWTVQPQQ-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(OC)CCCCCC2)[C@@H](C)C1 ZINC001204247825 812585067 /nfs/dbraw/zinc/58/50/67/812585067.db2.gz CUCOVLUWTVQPQQ-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(OC)CCCCCC2)[C@@H](C)C1 ZINC001204247825 812585074 /nfs/dbraw/zinc/58/50/74/812585074.db2.gz CUCOVLUWTVQPQQ-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP CN1CCC([N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001204282707 812596496 /nfs/dbraw/zinc/59/64/96/812596496.db2.gz TWMMBXYRYUCRTO-UHFFFAOYSA-N 2 1 270.779 3.005 20 0 CGADMP CN(Cc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001204282707 812596498 /nfs/dbraw/zinc/59/64/98/812596498.db2.gz TWMMBXYRYUCRTO-UHFFFAOYSA-N 2 1 270.779 3.005 20 0 CGADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC([NH+](C)C)CC1 ZINC001204286816 812597864 /nfs/dbraw/zinc/59/78/64/812597864.db2.gz OWNHMCAMEORCNC-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)[nH]c4ccccc43)C[C@@H]2C1 ZINC001204292886 812602923 /nfs/dbraw/zinc/60/29/23/812602923.db2.gz QJJIUPNSDFAQBK-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)[nH]c4ccccc43)C[C@@H]2C1 ZINC001204292886 812602930 /nfs/dbraw/zinc/60/29/30/812602930.db2.gz QJJIUPNSDFAQBK-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)[nH]c4ccccc43)C[C@@H]2C1 ZINC001204292886 812602934 /nfs/dbraw/zinc/60/29/34/812602934.db2.gz QJJIUPNSDFAQBK-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP CC(C)C[NH+](CC(C)C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204611587 812690258 /nfs/dbraw/zinc/69/02/58/812690258.db2.gz VVERGWPUELUNRT-UONOGXRCSA-N 2 1 276.415 3.091 20 0 CGADMP Fc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Cl ZINC001204735174 812719686 /nfs/dbraw/zinc/71/96/86/812719686.db2.gz MSRJYZAOWROZPE-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP Fc1cc(Cl)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735418 812719873 /nfs/dbraw/zinc/71/98/73/812719873.db2.gz UHRCFYYXWHPBDA-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)cc1 ZINC001204918327 812774121 /nfs/dbraw/zinc/77/41/21/812774121.db2.gz BZTUOJKHBNVWBU-UDTPNQRGSA-N 2 1 286.463 3.125 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@](C)([NH3+])C1)c1ccccc1 ZINC001204938088 812786589 /nfs/dbraw/zinc/78/65/89/812786589.db2.gz IIGLXNKZMNYLRX-KRWDZBQOSA-N 2 1 260.425 3.168 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccncc2)cc1 ZINC001205068736 812847322 /nfs/dbraw/zinc/84/73/22/812847322.db2.gz NVSQATWCVKJSIH-KSSFIOAISA-N 2 1 281.403 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccncc2)cc1 ZINC001205068736 812847332 /nfs/dbraw/zinc/84/73/32/812847332.db2.gz NVSQATWCVKJSIH-KSSFIOAISA-N 2 1 281.403 3.060 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC001205101775 812868131 /nfs/dbraw/zinc/86/81/31/812868131.db2.gz LISJNQJCIOQRIG-CYBMUJFWSA-N 2 1 260.406 3.215 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124570 812879041 /nfs/dbraw/zinc/87/90/41/812879041.db2.gz VRAOFYUEGSEURQ-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1C ZINC001205145708 812885877 /nfs/dbraw/zinc/88/58/77/812885877.db2.gz BUEJZWBVMBRKAC-APPDUMDISA-N 2 1 274.452 3.255 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001205164937 812895649 /nfs/dbraw/zinc/89/56/49/812895649.db2.gz XGDPECACAMYVJC-GDBMZVCRSA-N 2 1 258.409 3.138 20 0 CGADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCCCCCCCCCC2)C1 ZINC001205237751 812914806 /nfs/dbraw/zinc/91/48/06/812914806.db2.gz ONNMSRSNLOLZHK-GOSISDBHSA-N 2 1 296.499 3.316 20 0 CGADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCCCCCCCCCC2)C1 ZINC001205237751 812914813 /nfs/dbraw/zinc/91/48/13/812914813.db2.gz ONNMSRSNLOLZHK-GOSISDBHSA-N 2 1 296.499 3.316 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@](C)([NH3+])CC3)c[nH]c21 ZINC001205263965 812922024 /nfs/dbraw/zinc/92/20/24/812922024.db2.gz GMZYFVWESJLYKN-KRWDZBQOSA-N 2 1 271.408 3.180 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1C ZINC001205266986 812923422 /nfs/dbraw/zinc/92/34/22/812923422.db2.gz ZJCYCDKSHVWBDS-QGZVFWFLSA-N 2 1 276.424 3.015 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC001205288365 812931460 /nfs/dbraw/zinc/93/14/60/812931460.db2.gz JQLJPBFNDYLGJK-QGZVFWFLSA-N 2 1 287.382 3.077 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205296097 812936236 /nfs/dbraw/zinc/93/62/36/812936236.db2.gz GREPWKSLYJYLCB-MAUKXSAKSA-N 2 1 274.452 3.269 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCc2cccc(Cl)c2)CC1 ZINC001205537832 812996520 /nfs/dbraw/zinc/99/65/20/812996520.db2.gz ISQSHGBIGZHJCA-OAHLLOKOSA-N 2 1 284.806 3.035 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc3c2CCCC3)CC1 ZINC001205580201 813011185 /nfs/dbraw/zinc/01/11/85/813011185.db2.gz RKPARLOLCSRKGJ-SFHVURJKSA-N 2 1 290.426 3.218 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205618585 813028187 /nfs/dbraw/zinc/02/81/87/813028187.db2.gz XIJBBVWKYNKEJO-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(C)c1 ZINC001205617904 813029146 /nfs/dbraw/zinc/02/91/46/813029146.db2.gz PAIJUZYXKOLCIP-HOCLYGCPSA-N 2 1 290.451 3.201 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205628882 813034366 /nfs/dbraw/zinc/03/43/66/813034366.db2.gz XLUBLKSWCYZFHO-DGCLKSJQSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205639177 813038330 /nfs/dbraw/zinc/03/83/30/813038330.db2.gz XAJDLXCFCUWIFO-HIFRSBDPSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205803310 813082606 /nfs/dbraw/zinc/08/26/06/813082606.db2.gz FYPGHMBUVQRKTR-DZGCQCFKSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205803310 813082614 /nfs/dbraw/zinc/08/26/14/813082614.db2.gz FYPGHMBUVQRKTR-DZGCQCFKSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3C[C@H](C)CC[C@H]3CN)c21 ZINC001205818209 813095017 /nfs/dbraw/zinc/09/50/17/813095017.db2.gz SOFLBCNWXFYSEB-DOMZBBRYSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])c21 ZINC001205818209 813095023 /nfs/dbraw/zinc/09/50/23/813095023.db2.gz SOFLBCNWXFYSEB-DOMZBBRYSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])c21 ZINC001205818209 813095031 /nfs/dbraw/zinc/09/50/31/813095031.db2.gz SOFLBCNWXFYSEB-DOMZBBRYSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205828262 813100374 /nfs/dbraw/zinc/10/03/74/813100374.db2.gz KOPOIZRLAPGRMM-FZMZJTMJSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205828262 813100377 /nfs/dbraw/zinc/10/03/77/813100377.db2.gz KOPOIZRLAPGRMM-FZMZJTMJSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cccc2n1 ZINC001205855879 813109458 /nfs/dbraw/zinc/10/94/58/813109458.db2.gz QFPABTOUMHCLOC-BBRMVZONSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cccc2n1 ZINC001205855879 813109462 /nfs/dbraw/zinc/10/94/62/813109462.db2.gz QFPABTOUMHCLOC-BBRMVZONSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c[nH]c2c1 ZINC001205900983 813122453 /nfs/dbraw/zinc/12/24/53/813122453.db2.gz AHBDXLWMAVLBAL-KBPBESRZSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001205901725 813122460 /nfs/dbraw/zinc/12/24/60/813122460.db2.gz FSAXXNJOPQNMNN-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205904877 813127797 /nfs/dbraw/zinc/12/77/97/813127797.db2.gz XPISJZQCIPEBDQ-WBVHZDCISA-N 2 1 290.451 3.425 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205914045 813131022 /nfs/dbraw/zinc/13/10/22/813131022.db2.gz KTTOHPSRXDJBJH-GJZGRUSLSA-N 2 1 260.425 3.369 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205923345 813135427 /nfs/dbraw/zinc/13/54/27/813135427.db2.gz NFYQIMWQHOMNRY-HIFRSBDPSA-N 2 1 278.465 3.276 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205925641 813136891 /nfs/dbraw/zinc/13/68/91/813136891.db2.gz XTUXRHUJOFDOCZ-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)cccc2n1 ZINC001205925651 813137080 /nfs/dbraw/zinc/13/70/80/813137080.db2.gz XUIIMYWSVFKFKW-GJZGRUSLSA-N 2 1 283.419 3.102 20 0 CGADMP COc1ccc2cc(C[N@@H+]3CCCC[C@H]([NH3+])C3)ccc2c1 ZINC001205930991 813138348 /nfs/dbraw/zinc/13/83/48/813138348.db2.gz FNIUBEVMUGUWTA-KRWDZBQOSA-N 2 1 284.403 3.162 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCCC[C@H]([NH3+])C3)ccc2c1 ZINC001205930991 813138352 /nfs/dbraw/zinc/13/83/52/813138352.db2.gz FNIUBEVMUGUWTA-KRWDZBQOSA-N 2 1 284.403 3.162 20 0 CGADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001205931886 813139379 /nfs/dbraw/zinc/13/93/79/813139379.db2.gz MADYIEWJGBTVHO-QGZVFWFLSA-N 2 1 254.377 3.153 20 0 CGADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001205931886 813139382 /nfs/dbraw/zinc/13/93/82/813139382.db2.gz MADYIEWJGBTVHO-QGZVFWFLSA-N 2 1 254.377 3.153 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205939112 813141832 /nfs/dbraw/zinc/14/18/32/813141832.db2.gz NOTHKMHMRTVBIG-INIZCTEOSA-N 2 1 290.451 3.404 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205939112 813141834 /nfs/dbraw/zinc/14/18/34/813141834.db2.gz NOTHKMHMRTVBIG-INIZCTEOSA-N 2 1 290.451 3.404 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCC[C@H]1C[NH3+] ZINC001205993409 813154730 /nfs/dbraw/zinc/15/47/30/813154730.db2.gz HMVKJPUSCNBMSM-YOEHRIQHSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)CCC[C@H]1C[NH3+] ZINC001205993172 813155886 /nfs/dbraw/zinc/15/58/86/813155886.db2.gz HKZDIPZHBLRTMT-HOCLYGCPSA-N 2 1 299.418 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)CCC[C@@H]1C[NH3+] ZINC001205992061 813155911 /nfs/dbraw/zinc/15/59/11/813155911.db2.gz DEZXASFVSJQAIT-CHWSQXEVSA-N 2 1 289.448 3.103 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001205996181 813156585 /nfs/dbraw/zinc/15/65/85/813156585.db2.gz VTRHHVJXNOPTSE-RDJZCZTQSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2coc3ccc(F)cc23)CCC[C@H]1C[NH3+] ZINC001206003611 813161078 /nfs/dbraw/zinc/16/10/78/813161078.db2.gz KFGUACNXXWFXNR-OLZOCXBDSA-N 2 1 290.382 3.379 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c21 ZINC001206004020 813161200 /nfs/dbraw/zinc/16/12/00/813161200.db2.gz OZAGCBQNCOBTHF-HUUCEWRRSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCC[C@H]1C[NH3+] ZINC001206004159 813161228 /nfs/dbraw/zinc/16/12/28/813161228.db2.gz QUEMEIVNXKWEBY-HIFRSBDPSA-N 2 1 272.392 3.240 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206005204 813162530 /nfs/dbraw/zinc/16/25/30/813162530.db2.gz WYWFBIFTVOYICK-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2-n2cccc2)CCC[C@H]1C[NH3+] ZINC001206013715 813164644 /nfs/dbraw/zinc/16/46/44/813164644.db2.gz TXHMMTDOIUDYNL-SJORKVTESA-N 2 1 297.446 3.284 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(F)c1F ZINC001206015042 813166496 /nfs/dbraw/zinc/16/64/96/813166496.db2.gz ZRQUEJAKMXMIMA-OCCSQVGLSA-N 2 1 282.378 3.080 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206024396 813168543 /nfs/dbraw/zinc/16/85/43/813168543.db2.gz JIVBGOXWFYHIJX-ZFWWWQNUSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)sc1C ZINC001206025398 813170799 /nfs/dbraw/zinc/17/07/99/813170799.db2.gz NVOSKDUJPSZSPI-JSGCOSHPSA-N 2 1 266.454 3.172 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC2(CSC2)CC1 ZINC001206127664 813208312 /nfs/dbraw/zinc/20/83/12/813208312.db2.gz JOULZWBATGGWFR-AWEZNQCLSA-N 2 1 284.513 3.372 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC2(CSC2)CC1 ZINC001206127664 813208318 /nfs/dbraw/zinc/20/83/18/813208318.db2.gz JOULZWBATGGWFR-AWEZNQCLSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc12 ZINC001206164665 813221130 /nfs/dbraw/zinc/22/11/30/813221130.db2.gz LIHKDMBZRHQWCD-QZTJIDSGSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc12 ZINC001206164665 813221133 /nfs/dbraw/zinc/22/11/33/813221133.db2.gz LIHKDMBZRHQWCD-QZTJIDSGSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206198150 813236328 /nfs/dbraw/zinc/23/63/28/813236328.db2.gz LCRKJMWWNVEKSK-ZIAGYGMSSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206198150 813236333 /nfs/dbraw/zinc/23/63/33/813236333.db2.gz LCRKJMWWNVEKSK-ZIAGYGMSSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)c1Cl ZINC001206209070 813240794 /nfs/dbraw/zinc/24/07/94/813240794.db2.gz ASOUOGXJDWPBGJ-UONOGXRCSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)c1Cl ZINC001206209070 813240798 /nfs/dbraw/zinc/24/07/98/813240798.db2.gz ASOUOGXJDWPBGJ-UONOGXRCSA-N 2 1 284.806 3.218 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001206246996 813253597 /nfs/dbraw/zinc/25/35/97/813253597.db2.gz CTVANCLFCNICDG-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001206246996 813253599 /nfs/dbraw/zinc/25/35/99/813253599.db2.gz CTVANCLFCNICDG-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001206257870 813260272 /nfs/dbraw/zinc/26/02/72/813260272.db2.gz LCKSXBLDOOEXAJ-KRWDZBQOSA-N 2 1 290.451 3.057 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1F ZINC001206303145 813278578 /nfs/dbraw/zinc/27/85/78/813278578.db2.gz BSODSBXQGZOQJH-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001206305214 813282271 /nfs/dbraw/zinc/28/22/71/813282271.db2.gz WEHPVOXASVWTCR-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001206311340 813284724 /nfs/dbraw/zinc/28/47/24/813284724.db2.gz MTZQNIWYBMNIFV-SFHVURJKSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001206311340 813284728 /nfs/dbraw/zinc/28/47/28/813284728.db2.gz MTZQNIWYBMNIFV-SFHVURJKSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001206311340 813284733 /nfs/dbraw/zinc/28/47/33/813284733.db2.gz MTZQNIWYBMNIFV-SFHVURJKSA-N 2 1 298.434 3.028 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311834 813284855 /nfs/dbraw/zinc/28/48/55/813284855.db2.gz VSPQFTHKECSWEK-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206317597 813287248 /nfs/dbraw/zinc/28/72/48/813287248.db2.gz HWCCJZXGPPKGMH-MRXNPFEDSA-N 2 1 278.465 3.359 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC001206335565 813294780 /nfs/dbraw/zinc/29/47/80/813294780.db2.gz GGFWKANIKRRUKH-GOSISDBHSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)c[nH]c2c1 ZINC001206343550 813295224 /nfs/dbraw/zinc/29/52/24/813295224.db2.gz GLIYARPFBICQFN-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)c[nH]c2c1 ZINC001206343550 813295231 /nfs/dbraw/zinc/29/52/31/813295231.db2.gz GLIYARPFBICQFN-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001206541784 813344630 /nfs/dbraw/zinc/34/46/30/813344630.db2.gz KGCVVEUERXTIKH-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001206540468 813345352 /nfs/dbraw/zinc/34/53/52/813345352.db2.gz BRXVYIBHZPXLTR-OAHLLOKOSA-N 2 1 266.816 3.291 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)[nH]1 ZINC001206547735 813346438 /nfs/dbraw/zinc/34/64/38/813346438.db2.gz FSGRTGNGNDHNML-QGZVFWFLSA-N 2 1 277.456 3.263 20 0 CGADMP CCOc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206550031 813348948 /nfs/dbraw/zinc/34/89/48/813348948.db2.gz TZMVONMPYQFQML-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001206549545 813349356 /nfs/dbraw/zinc/34/93/56/813349356.db2.gz ONIQVWCLMGSAQV-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001206549545 813349363 /nfs/dbraw/zinc/34/93/63/813349363.db2.gz ONIQVWCLMGSAQV-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556904 813352909 /nfs/dbraw/zinc/35/29/09/813352909.db2.gz ZNCUPJNOHKQZGF-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556904 813352915 /nfs/dbraw/zinc/35/29/15/813352915.db2.gz ZNCUPJNOHKQZGF-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582724 813362605 /nfs/dbraw/zinc/36/26/05/813362605.db2.gz PBGCWLUBIYRGKT-CQSZACIVSA-N 2 1 282.378 3.317 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582724 813362612 /nfs/dbraw/zinc/36/26/12/813362612.db2.gz PBGCWLUBIYRGKT-CQSZACIVSA-N 2 1 282.378 3.317 20 0 CGADMP Cc1noc2ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc12 ZINC001206581460 813362757 /nfs/dbraw/zinc/36/27/57/813362757.db2.gz JDHKMKPGGDDUPT-KRWDZBQOSA-N 2 1 287.407 3.087 20 0 CGADMP COc1cc(C)cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206589490 813365267 /nfs/dbraw/zinc/36/52/67/813365267.db2.gz HNNVLLSGGYDCRF-KRWDZBQOSA-N 2 1 290.451 3.356 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001206607130 813372226 /nfs/dbraw/zinc/37/22/26/813372226.db2.gz WJAPHLLPCOTLID-GOSISDBHSA-N 2 1 274.452 3.460 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@H](C[NH3+])C3)c[nH]c2c1 ZINC001206615477 813375896 /nfs/dbraw/zinc/37/58/96/813375896.db2.gz DZNNHFXKTGLNEG-CQSZACIVSA-N 2 1 271.408 3.037 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206640822 813384617 /nfs/dbraw/zinc/38/46/17/813384617.db2.gz NJKQXPYKSVMHGW-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206648608 813388157 /nfs/dbraw/zinc/38/81/57/813388157.db2.gz NJOUMBLXPVXKSD-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206648608 813388165 /nfs/dbraw/zinc/38/81/65/813388165.db2.gz NJOUMBLXPVXKSD-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP CC(C)OC1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207185257 813509887 /nfs/dbraw/zinc/50/98/87/813509887.db2.gz PATVTPSTOAJXSB-NXYGQSRBSA-N 2 1 294.483 3.329 20 0 CGADMP CC(C)OC1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207185257 813509895 /nfs/dbraw/zinc/50/98/95/813509895.db2.gz PATVTPSTOAJXSB-NXYGQSRBSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)Cc2ccccc21 ZINC001207479796 813572623 /nfs/dbraw/zinc/57/26/23/813572623.db2.gz ODDRZAVJIGXUBY-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001207484820 813573060 /nfs/dbraw/zinc/57/30/60/813573060.db2.gz NPDTVJDEBIKOHL-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(F)cc1F ZINC001207487893 813574456 /nfs/dbraw/zinc/57/44/56/813574456.db2.gz XPAAVZFMEZKRHR-UHFFFAOYSA-N 2 1 282.378 3.129 20 0 CGADMP CC[N@H+](CCCc1cccc(F)c1)CCC[NH+](C)C ZINC001207604184 813608558 /nfs/dbraw/zinc/60/85/58/813608558.db2.gz ITQYRWDITHQODY-UHFFFAOYSA-N 2 1 266.404 3.032 20 0 CGADMP CC(C)[N@@H+](CCc1c(F)cccc1F)C1CCN(C)CC1 ZINC001208117883 813696494 /nfs/dbraw/zinc/69/64/94/813696494.db2.gz IHVLKJFLCHPNOJ-UHFFFAOYSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@@H](C)c1ccc(C)o1 ZINC001208168594 813722551 /nfs/dbraw/zinc/72/25/51/813722551.db2.gz OHYXLFJTUQVIBB-CQSZACIVSA-N 2 1 266.429 3.355 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001208605085 813771339 /nfs/dbraw/zinc/77/13/39/813771339.db2.gz YLGIQDJWPJRZHL-MRXNPFEDSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001208605085 813771342 /nfs/dbraw/zinc/77/13/42/813771342.db2.gz YLGIQDJWPJRZHL-MRXNPFEDSA-N 2 1 264.457 3.375 20 0 CGADMP COc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612718 813774441 /nfs/dbraw/zinc/77/44/41/813774441.db2.gz NIRREEZOKIXFTB-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612718 813774444 /nfs/dbraw/zinc/77/44/44/813774444.db2.gz NIRREEZOKIXFTB-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208612718 813774449 /nfs/dbraw/zinc/77/44/49/813774449.db2.gz NIRREEZOKIXFTB-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612718 813774454 /nfs/dbraw/zinc/77/44/54/813774454.db2.gz NIRREEZOKIXFTB-HUUCEWRRSA-N 2 1 276.424 3.030 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208616627 813776776 /nfs/dbraw/zinc/77/67/76/813776776.db2.gz KSUAGNVYNOZVEV-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208616627 813776778 /nfs/dbraw/zinc/77/67/78/813776778.db2.gz KSUAGNVYNOZVEV-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208616627 813776783 /nfs/dbraw/zinc/77/67/83/813776783.db2.gz KSUAGNVYNOZVEV-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208616627 813776787 /nfs/dbraw/zinc/77/67/87/813776787.db2.gz KSUAGNVYNOZVEV-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CC/C=C\CC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001208729522 813819804 /nfs/dbraw/zinc/81/98/04/813819804.db2.gz AGXPXXWBMKXHGJ-ARJAWSKDSA-N 2 1 268.420 3.241 20 0 CGADMP CCC(=O)C(C)(C)C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001208916523 813899107 /nfs/dbraw/zinc/89/91/07/813899107.db2.gz LTBZGFCLUOJVBK-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)C(C)(C)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001208916523 813899111 /nfs/dbraw/zinc/89/91/11/813899111.db2.gz LTBZGFCLUOJVBK-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP CC1(C)CCC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208949861 813907084 /nfs/dbraw/zinc/90/70/84/813907084.db2.gz YWUWBIXFSRFVJQ-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208949861 813907091 /nfs/dbraw/zinc/90/70/91/813907091.db2.gz YWUWBIXFSRFVJQ-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949861 813907096 /nfs/dbraw/zinc/90/70/96/813907096.db2.gz YWUWBIXFSRFVJQ-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949861 813907099 /nfs/dbraw/zinc/90/70/99/813907099.db2.gz YWUWBIXFSRFVJQ-QGZVFWFLSA-N 2 1 272.436 3.383 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235377 813978113 /nfs/dbraw/zinc/97/81/13/813978113.db2.gz OVLWTJVXSKPVHO-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+](C)CCC[N@H+](C)CCc1ccccc1C(F)(F)F ZINC001209279485 813991581 /nfs/dbraw/zinc/99/15/81/813991581.db2.gz FTAMPAWRBIEKNI-UHFFFAOYSA-N 2 1 288.357 3.131 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCc1ccccc1C(F)(F)F ZINC001209279485 813991586 /nfs/dbraw/zinc/99/15/86/813991586.db2.gz FTAMPAWRBIEKNI-UHFFFAOYSA-N 2 1 288.357 3.131 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4C[C@H]4C)C[C@H]3C2)cc1 ZINC001209411826 814018938 /nfs/dbraw/zinc/01/89/38/814018938.db2.gz CQCOYIYIPMKHKI-LULLPPNCSA-N 2 1 284.447 3.015 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4C[C@H]4C)C[C@H]3C2)cc1 ZINC001209411826 814018943 /nfs/dbraw/zinc/01/89/43/814018943.db2.gz CQCOYIYIPMKHKI-LULLPPNCSA-N 2 1 284.447 3.015 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4C[C@H]4C)C[C@H]3C2)cc1 ZINC001209411826 814018947 /nfs/dbraw/zinc/01/89/47/814018947.db2.gz CQCOYIYIPMKHKI-LULLPPNCSA-N 2 1 284.447 3.015 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434498 814035783 /nfs/dbraw/zinc/03/57/83/814035783.db2.gz YYBSQOJEAKQPAX-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434498 814035789 /nfs/dbraw/zinc/03/57/89/814035789.db2.gz YYBSQOJEAKQPAX-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434498 814035794 /nfs/dbraw/zinc/03/57/94/814035794.db2.gz YYBSQOJEAKQPAX-OWYHZJEWSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001209448084 814045824 /nfs/dbraw/zinc/04/58/24/814045824.db2.gz MLZIYBAPXVWBGE-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)[nH]2)CC1 ZINC001209574352 814087679 /nfs/dbraw/zinc/08/76/79/814087679.db2.gz CPENZJSJDBEEIO-UHFFFAOYSA-N 2 1 263.429 3.019 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)[nH]2)CC1 ZINC001209574352 814087683 /nfs/dbraw/zinc/08/76/83/814087683.db2.gz CPENZJSJDBEEIO-UHFFFAOYSA-N 2 1 263.429 3.019 20 0 CGADMP CN(C)c1cc(Nc2ccc3c[nH+]ccc3c2)cc[nH+]1 ZINC001210046357 814263277 /nfs/dbraw/zinc/26/32/77/814263277.db2.gz FOEWYLSSKODGNE-UHFFFAOYSA-N 2 1 264.332 3.439 20 0 CGADMP Cc1cccc(C)c1-c1cccc(C[NH+]2CC(C[NH3+])C2)c1 ZINC001210545188 814517468 /nfs/dbraw/zinc/51/74/68/814517468.db2.gz OFENMXFHCWLTRJ-UHFFFAOYSA-N 2 1 280.415 3.361 20 0 CGADMP C[NH2+]CC1C[NH+](C[C@@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001210560879 814526576 /nfs/dbraw/zinc/52/65/76/814526576.db2.gz BMEFIKPECZCSSF-HNNXBMFYSA-N 2 1 288.479 3.314 20 0 CGADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001222147889 816360008 /nfs/dbraw/zinc/36/00/08/816360008.db2.gz DPEAABMTOJAKBD-IBGZPJMESA-N 2 1 284.447 3.141 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222149505 816360873 /nfs/dbraw/zinc/36/08/73/816360873.db2.gz ZOECYBSZWRZBAB-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222149505 816360877 /nfs/dbraw/zinc/36/08/77/816360877.db2.gz ZOECYBSZWRZBAB-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Fc1ccc2occc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222155025 816363140 /nfs/dbraw/zinc/36/31/40/816363140.db2.gz VUIDFARYFIGKAZ-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2occc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222155025 816363146 /nfs/dbraw/zinc/36/31/46/816363146.db2.gz VUIDFARYFIGKAZ-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP C(C1CCCC1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155027 816363331 /nfs/dbraw/zinc/36/33/31/816363331.db2.gz VUSXVSJQIGPJBI-KRWDZBQOSA-N 2 1 264.457 3.422 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)C(F)(F)F ZINC001222160030 816364206 /nfs/dbraw/zinc/36/42/06/816364206.db2.gz CGHREIISQKYCQK-ZIAGYGMSSA-N 2 1 292.389 3.431 20 0 CGADMP c1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)co1 ZINC001222159935 816364655 /nfs/dbraw/zinc/36/46/55/816364655.db2.gz AEIQOWXFPRVPCC-MRXNPFEDSA-N 2 1 262.397 3.025 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)co1 ZINC001222159935 816364660 /nfs/dbraw/zinc/36/46/60/816364660.db2.gz AEIQOWXFPRVPCC-MRXNPFEDSA-N 2 1 262.397 3.025 20 0 CGADMP c1ccc(CCCC[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222232921 816379472 /nfs/dbraw/zinc/37/94/72/816379472.db2.gz ZBEMINYAQYXEBE-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP Clc1cccc(CCC[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222232317 816380327 /nfs/dbraw/zinc/38/03/27/816380327.db2.gz UXGXBWUJVZXZIQ-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222232317 816380330 /nfs/dbraw/zinc/38/03/30/816380330.db2.gz UXGXBWUJVZXZIQ-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001222265807 816391780 /nfs/dbraw/zinc/39/17/80/816391780.db2.gz ZLYVDEWNCYTTJJ-IBGZPJMESA-N 2 1 297.446 3.442 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001222265807 816391788 /nfs/dbraw/zinc/39/17/88/816391788.db2.gz ZLYVDEWNCYTTJJ-IBGZPJMESA-N 2 1 297.446 3.442 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc(C)c1F ZINC001222272643 816392379 /nfs/dbraw/zinc/39/23/79/816392379.db2.gz YBPBAPJNRCFBQE-GOSISDBHSA-N 2 1 290.426 3.408 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc(C)c1F ZINC001222272643 816392383 /nfs/dbraw/zinc/39/23/83/816392383.db2.gz YBPBAPJNRCFBQE-GOSISDBHSA-N 2 1 290.426 3.408 20 0 CGADMP CC/C=C\CCC[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287638 816397033 /nfs/dbraw/zinc/39/70/33/816397033.db2.gz OETIHKYVYPQRMR-ARJAWSKDSA-N 2 1 250.430 3.341 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316825 816407321 /nfs/dbraw/zinc/40/73/21/816407321.db2.gz YYKKIMLYVDUGQA-SFHVURJKSA-N 2 1 288.435 3.193 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)sc1C ZINC001222321545 816408754 /nfs/dbraw/zinc/40/87/54/816408754.db2.gz YOTGFWSEPPEYCS-INIZCTEOSA-N 2 1 278.465 3.473 20 0 CGADMP c1ccc(C2(C[NH+]3CC4(C3)CCC[NH2+]C4)CCCC2)cc1 ZINC001222335316 816410665 /nfs/dbraw/zinc/41/06/65/816410665.db2.gz GBUSQWYDKPVKIK-UHFFFAOYSA-N 2 1 284.447 3.184 20 0 CGADMP Clc1cccc(CCC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222346822 816415463 /nfs/dbraw/zinc/41/54/63/816415463.db2.gz TYFOTGZVNGLMQM-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222346822 816415466 /nfs/dbraw/zinc/41/54/66/816415466.db2.gz TYFOTGZVNGLMQM-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC13CCCCC3)CC[NH2+]C2 ZINC001222400859 816433491 /nfs/dbraw/zinc/43/34/91/816433491.db2.gz LDIJWUMVGVZLLX-UHFFFAOYSA-N 2 1 270.420 3.241 20 0 CGADMP c1ccc(C2(C[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)CCCC2)cc1 ZINC001222465789 816451749 /nfs/dbraw/zinc/45/17/49/816451749.db2.gz YVPWDTICZAMTSF-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)CCCC2)cc1 ZINC001222465789 816451751 /nfs/dbraw/zinc/45/17/51/816451751.db2.gz YVPWDTICZAMTSF-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP CC/C=C\CCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595912 816474109 /nfs/dbraw/zinc/47/41/09/816474109.db2.gz LOYILAJVFLIJIL-JXCVUKRWSA-N 2 1 284.447 3.422 20 0 CGADMP CCCCCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596100 816475064 /nfs/dbraw/zinc/47/50/64/816475064.db2.gz PWGQACMUUXUXRK-KRWDZBQOSA-N 2 1 272.436 3.256 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cs1 ZINC001222614807 816478774 /nfs/dbraw/zinc/47/87/74/816478774.db2.gz JLUPHGLVWDFHSI-QGZVFWFLSA-N 2 1 298.455 3.246 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Cl ZINC001222629818 816483704 /nfs/dbraw/zinc/48/37/04/816483704.db2.gz QKKMOIDPVZBKLK-IYBDPMFKSA-N 2 1 292.854 3.334 20 0 CGADMP CCCCc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001231779681 818170630 /nfs/dbraw/zinc/17/06/30/818170630.db2.gz FUTMBXZMQPBNOW-UHFFFAOYSA-N 2 1 262.441 3.413 20 0 CGADMP CCCCc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001231779681 818170635 /nfs/dbraw/zinc/17/06/35/818170635.db2.gz FUTMBXZMQPBNOW-UHFFFAOYSA-N 2 1 262.441 3.413 20 0 CGADMP CC1(C)C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC1(F)F ZINC001232012718 818232730 /nfs/dbraw/zinc/23/27/30/818232730.db2.gz OTXNYURLUJXGKC-UHFFFAOYSA-N 2 1 279.334 3.430 20 0 CGADMP c1c(C[N@@H+](C2CCC2)C2CCOCC2)[nH]c2cc[nH+]cc12 ZINC001232019415 818234728 /nfs/dbraw/zinc/23/47/28/818234728.db2.gz ZPRAQQAQFGCSPE-UHFFFAOYSA-N 2 1 285.391 3.096 20 0 CGADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(C)n1 ZINC001232083701 818249802 /nfs/dbraw/zinc/24/98/02/818249802.db2.gz HXGILQFBMBOCRC-UHFFFAOYSA-N 2 1 289.467 3.251 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001232144640 818264317 /nfs/dbraw/zinc/26/43/17/818264317.db2.gz MGCBVBSOMWFPKQ-HNNXBMFYSA-N 2 1 282.378 3.211 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001232144640 818264324 /nfs/dbraw/zinc/26/43/24/818264324.db2.gz MGCBVBSOMWFPKQ-HNNXBMFYSA-N 2 1 282.378 3.211 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4c3CCCC4)C2)CC1 ZINC001232638159 818408404 /nfs/dbraw/zinc/40/84/04/818408404.db2.gz GERKVCKAROJNQV-UHFFFAOYSA-N 2 1 298.474 3.483 20 0 CGADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cnc1C ZINC001233164694 818532046 /nfs/dbraw/zinc/53/20/46/818532046.db2.gz ZLBBWKHPXWSOQQ-UHFFFAOYSA-N 2 1 289.467 3.251 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1(C)C ZINC001234993373 818973150 /nfs/dbraw/zinc/97/31/50/818973150.db2.gz NDNCVDHUPUMLFH-SJLPKXTDSA-N 2 1 276.468 3.444 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235027165 818982601 /nfs/dbraw/zinc/98/26/01/818982601.db2.gz VUXXCPDEDBJCHV-AYOQOUSVSA-N 2 1 286.463 3.282 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C)c1Cl ZINC001235034454 818984023 /nfs/dbraw/zinc/98/40/23/818984023.db2.gz YNXLAXLDSITNSR-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C)c1Cl ZINC001235034454 818984026 /nfs/dbraw/zinc/98/40/26/818984026.db2.gz YNXLAXLDSITNSR-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033103 818984517 /nfs/dbraw/zinc/98/45/17/818984517.db2.gz SYTZNTKTGJLCIY-QGZUEGPWSA-N 2 1 250.430 3.198 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235033265 818984906 /nfs/dbraw/zinc/98/49/06/818984906.db2.gz WVJIGJBAEQHRQQ-PKOBYXMFSA-N 2 1 278.399 3.147 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CCC23CC[NH2+]CC3)c1 ZINC001235101825 819002092 /nfs/dbraw/zinc/00/20/92/819002092.db2.gz GPDNKESHZUMMAB-UHFFFAOYSA-N 2 1 272.436 3.312 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CCC23CC[NH2+]CC3)c1 ZINC001235101825 819002098 /nfs/dbraw/zinc/00/20/98/819002098.db2.gz GPDNKESHZUMMAB-UHFFFAOYSA-N 2 1 272.436 3.312 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110129 819005243 /nfs/dbraw/zinc/00/52/43/819005243.db2.gz JMOVGTDAQDLQFU-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123533 819012130 /nfs/dbraw/zinc/01/21/30/819012130.db2.gz KFYLXMJKXBVIDO-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1csc(C[N@@H+]2CCCC23CC[NH2+]CC3)c1Cl ZINC001235141747 819015344 /nfs/dbraw/zinc/01/53/44/819015344.db2.gz XSMWWSIOHNKJID-UHFFFAOYSA-N 2 1 284.856 3.428 20 0 CGADMP Cc1csc(C[N@H+]2CCCC23CC[NH2+]CC3)c1Cl ZINC001235141747 819015351 /nfs/dbraw/zinc/01/53/51/819015351.db2.gz XSMWWSIOHNKJID-UHFFFAOYSA-N 2 1 284.856 3.428 20 0 CGADMP Fc1cccc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235150867 819016502 /nfs/dbraw/zinc/01/65/02/819016502.db2.gz ATRXHRXCDMXWBQ-GOSISDBHSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)CCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152475 819018149 /nfs/dbraw/zinc/01/81/49/819018149.db2.gz OAWOEYZPXGLNFY-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235187888 819028565 /nfs/dbraw/zinc/02/85/65/819028565.db2.gz GUGAEWWOLJBLQC-AYOQOUSVSA-N 2 1 286.463 3.282 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235187888 819028573 /nfs/dbraw/zinc/02/85/73/819028573.db2.gz GUGAEWWOLJBLQC-AYOQOUSVSA-N 2 1 286.463 3.282 20 0 CGADMP COc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1C ZINC001235189013 819029806 /nfs/dbraw/zinc/02/98/06/819029806.db2.gz DWONFWUWIIPYQT-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235219556 819038581 /nfs/dbraw/zinc/03/85/81/819038581.db2.gz TZMMGAZCVFWJHK-APWZRJJASA-N 2 1 280.415 3.332 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235219556 819038586 /nfs/dbraw/zinc/03/85/86/819038586.db2.gz TZMMGAZCVFWJHK-APWZRJJASA-N 2 1 280.415 3.332 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235270833 819059384 /nfs/dbraw/zinc/05/93/84/819059384.db2.gz NKVJXQQKEZVVLF-ZWKOTPCHSA-N 2 1 270.420 3.138 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235273387 819059675 /nfs/dbraw/zinc/05/96/75/819059675.db2.gz SADUYBIIXDURDA-CJNGLKHVSA-N 2 1 286.444 3.394 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)ccc1Oc1ccccc1 ZINC001235283658 819060811 /nfs/dbraw/zinc/06/08/11/819060811.db2.gz GBZOLMTYJSTRTO-IZZQQSIFSA-N 2 1 294.398 3.176 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)ccc1Oc1ccccc1 ZINC001235283658 819060813 /nfs/dbraw/zinc/06/08/13/819060813.db2.gz GBZOLMTYJSTRTO-IZZQQSIFSA-N 2 1 294.398 3.176 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)o1 ZINC001235403611 819085897 /nfs/dbraw/zinc/08/58/97/819085897.db2.gz LJUFWLFFFDICGS-COXVUDFISA-N 2 1 294.414 3.105 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235408945 819087562 /nfs/dbraw/zinc/08/75/62/819087562.db2.gz VJKUKSFVURLDQQ-QZTJIDSGSA-N 2 1 290.426 3.334 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235420739 819091641 /nfs/dbraw/zinc/09/16/41/819091641.db2.gz ANWFXLZHVOGWJI-STQMWFEESA-N 2 1 282.815 3.145 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235420734 819091730 /nfs/dbraw/zinc/09/17/30/819091730.db2.gz ANWFXLZHVOGWJI-OLZOCXBDSA-N 2 1 282.815 3.145 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424759 819093034 /nfs/dbraw/zinc/09/30/34/819093034.db2.gz JOEHOEIPHCCZHH-IAGOWNOFSA-N 2 1 264.457 3.278 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc(C)c1Cl ZINC001235433007 819096737 /nfs/dbraw/zinc/09/67/37/819096737.db2.gz QMUOJGVRRZZOQD-UHFFFAOYSA-N 2 1 280.843 3.388 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(Cc2ccccc2)cc1 ZINC001235435311 819097583 /nfs/dbraw/zinc/09/75/83/819097583.db2.gz IMTSOVRKWOGFIW-UHFFFAOYSA-N 2 1 268.404 3.058 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235435537 819098687 /nfs/dbraw/zinc/09/86/87/819098687.db2.gz NVJQJQWICKKDBQ-UHFFFAOYSA-N 2 1 281.614 3.427 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235435537 819098692 /nfs/dbraw/zinc/09/86/92/819098692.db2.gz NVJQJQWICKKDBQ-UHFFFAOYSA-N 2 1 281.614 3.427 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001235442271 819099227 /nfs/dbraw/zinc/09/92/27/819099227.db2.gz KRQVADPYZKUAMQ-UHFFFAOYSA-N 2 1 289.810 3.183 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC001235474744 819108331 /nfs/dbraw/zinc/10/83/31/819108331.db2.gz UFMVKXZYTPJIOF-HNNXBMFYSA-N 2 1 252.446 3.443 20 0 CGADMP c1csc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001235680686 819139998 /nfs/dbraw/zinc/13/99/98/819139998.db2.gz WBVQWNNPTVKPIF-UONOGXRCSA-N 2 1 264.438 3.417 20 0 CGADMP COCC[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001235687977 819141296 /nfs/dbraw/zinc/14/12/96/819141296.db2.gz LFBXDUNKHHCTQM-KRWDZBQOSA-N 2 1 282.472 3.190 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC001235693139 819144197 /nfs/dbraw/zinc/14/41/97/819144197.db2.gz SGUSYGWLTRIUEJ-LJQANCHMSA-N 2 1 296.414 3.189 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235712027 819148106 /nfs/dbraw/zinc/14/81/06/819148106.db2.gz XZCOCXVFCXTDJZ-WBVHZDCISA-N 2 1 288.435 3.364 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712576 819148514 /nfs/dbraw/zinc/14/85/14/819148514.db2.gz DODIBVHPSGHOPO-UHFFFAOYSA-N 2 1 270.420 3.140 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712576 819148519 /nfs/dbraw/zinc/14/85/19/819148519.db2.gz DODIBVHPSGHOPO-UHFFFAOYSA-N 2 1 270.420 3.140 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235713513 819148695 /nfs/dbraw/zinc/14/86/95/819148695.db2.gz CKCJJAKLUQUHNS-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(Cl)c1 ZINC001235717302 819149632 /nfs/dbraw/zinc/14/96/32/819149632.db2.gz QLAXXFKWJPEXPV-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP Cc1cccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1Cl ZINC001235717732 819151374 /nfs/dbraw/zinc/15/13/74/819151374.db2.gz LHMVGJWUBZKZKK-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP COc1cc(C)c(C)cc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235718046 819151409 /nfs/dbraw/zinc/15/14/09/819151409.db2.gz STSZNERIWKPKPE-UHFFFAOYSA-N 2 1 290.451 3.134 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235725605 819153429 /nfs/dbraw/zinc/15/34/29/819153429.db2.gz RTYPVEASWFMLTQ-ZDUSSCGKSA-N 2 1 285.435 3.389 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]1C[NH3+] ZINC001235725605 819153432 /nfs/dbraw/zinc/15/34/32/819153432.db2.gz RTYPVEASWFMLTQ-ZDUSSCGKSA-N 2 1 285.435 3.389 20 0 CGADMP CC[N@@H+](Cc1c(C)cc(F)cc1C)C1CC[NH2+]CC1 ZINC001235764891 819163887 /nfs/dbraw/zinc/16/38/87/819163887.db2.gz OPFDOWGYEXEQNR-UHFFFAOYSA-N 2 1 264.388 3.016 20 0 CGADMP Clc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001235828302 819178347 /nfs/dbraw/zinc/17/83/47/819178347.db2.gz ZVARHWIDYKMRRA-ZIAGYGMSSA-N 2 1 278.827 3.129 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)cc2)o1 ZINC001235842583 819183319 /nfs/dbraw/zinc/18/33/19/819183319.db2.gz PBXYJNHYKQZDBL-MRXNPFEDSA-N 2 1 284.403 3.296 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC001235842590 819183496 /nfs/dbraw/zinc/18/34/96/819183496.db2.gz PICWZZDDFNYUOA-HZPDHXFCSA-N 2 1 282.431 3.485 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235843205 819184426 /nfs/dbraw/zinc/18/44/26/819184426.db2.gz XPOHMOVJVUQSCU-OAHLLOKOSA-N 2 1 268.404 3.190 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910037 819218940 /nfs/dbraw/zinc/21/89/40/819218940.db2.gz OSXVVMNPTJHTKL-SOUVJXGZSA-N 2 1 256.409 3.130 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910037 819218946 /nfs/dbraw/zinc/21/89/46/819218946.db2.gz OSXVVMNPTJHTKL-SOUVJXGZSA-N 2 1 256.409 3.130 20 0 CGADMP CC/C=C\CCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929554 819228353 /nfs/dbraw/zinc/22/83/53/819228353.db2.gz RHWYCDOTDSSUNE-NMBNSIPYSA-N 2 1 264.457 3.444 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235941855 819234242 /nfs/dbraw/zinc/23/42/42/819234242.db2.gz XHPFNPZDPZNTAQ-JKSUJKDBSA-N 2 1 272.436 3.025 20 0 CGADMP CC(C)[N@H+](CC[NH3+])Cc1ccc(F)c2ccccc12 ZINC001235947322 819236343 /nfs/dbraw/zinc/23/63/43/819236343.db2.gz KEUCBJWEFZLIKU-UHFFFAOYSA-N 2 1 260.356 3.148 20 0 CGADMP CC(C)[N@@H+](CC[NH3+])Cc1ccc(F)c2ccccc12 ZINC001235947322 819236350 /nfs/dbraw/zinc/23/63/50/819236350.db2.gz KEUCBJWEFZLIKU-UHFFFAOYSA-N 2 1 260.356 3.148 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)CC1(c2ccccc2)CCCC1 ZINC001235952057 819242201 /nfs/dbraw/zinc/24/22/01/819242201.db2.gz XMRNDSRAEASTSN-KRWDZBQOSA-N 2 1 286.463 3.430 20 0 CGADMP C[N@@H+](CCCCCc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235952502 819243288 /nfs/dbraw/zinc/24/32/88/819243288.db2.gz YHWANMRLSZHNRW-SFHVURJKSA-N 2 1 274.452 3.331 20 0 CGADMP CC[N@@H+](Cc1cccc(C[NH3+])c1)Cc1ccccc1F ZINC001235960416 819249309 /nfs/dbraw/zinc/24/93/09/819249309.db2.gz LKVABAFCPKHTEW-UHFFFAOYSA-N 2 1 272.367 3.307 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC001235979999 819257411 /nfs/dbraw/zinc/25/74/11/819257411.db2.gz PLJSJVXAZNPJGE-QUCCMNQESA-N 2 1 292.426 3.242 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235986980 819260244 /nfs/dbraw/zinc/26/02/44/819260244.db2.gz DAAJYVFYUGHXPP-RBUKOAKNSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235986980 819260252 /nfs/dbraw/zinc/26/02/52/819260252.db2.gz DAAJYVFYUGHXPP-RBUKOAKNSA-N 2 1 278.399 3.277 20 0 CGADMP COc1cccc(CCC[N@@H+](C)Cc2cccc(C[NH3+])c2)c1 ZINC001236043652 819281132 /nfs/dbraw/zinc/28/11/32/819281132.db2.gz ZQTDPCASKURNBH-UHFFFAOYSA-N 2 1 298.430 3.219 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)c2ccccc12 ZINC001236051325 819287121 /nfs/dbraw/zinc/28/71/21/819287121.db2.gz VXQGTOOKLNMGMK-XJKSGUPXSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)c2ccccc12 ZINC001236051325 819287127 /nfs/dbraw/zinc/28/71/27/819287127.db2.gz VXQGTOOKLNMGMK-XJKSGUPXSA-N 2 1 268.404 3.317 20 0 CGADMP CC[N@@H+](CCCC[NH3+])Cc1c(F)cccc1Cl ZINC001236104382 819321140 /nfs/dbraw/zinc/32/11/40/819321140.db2.gz KBTPGACRDTXMNS-UHFFFAOYSA-N 2 1 258.768 3.040 20 0 CGADMP CCCCCOc1ccc(C[N@@H+](C)CCCC[NH3+])cc1 ZINC001236140327 819341301 /nfs/dbraw/zinc/34/13/01/819341301.db2.gz DKOGTRUTBRJQOX-UHFFFAOYSA-N 2 1 278.440 3.426 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236189275 819361971 /nfs/dbraw/zinc/36/19/71/819361971.db2.gz KHFDRWVQOYGZGS-INIZCTEOSA-N 2 1 294.389 3.491 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)CCCc2ccccc2F)CC1 ZINC001236212610 819374715 /nfs/dbraw/zinc/37/47/15/819374715.db2.gz JIEWHLJITPWEHD-UHFFFAOYSA-N 2 1 278.415 3.221 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215694 819380950 /nfs/dbraw/zinc/38/09/50/819380950.db2.gz IDMFLGYUKMLUID-SJLPKXTDSA-N 2 1 285.435 3.363 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236218785 819383441 /nfs/dbraw/zinc/38/34/41/819383441.db2.gz UCKFJOVGZGIALC-IAGOWNOFSA-N 2 1 276.424 3.176 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236218785 819383448 /nfs/dbraw/zinc/38/34/48/819383448.db2.gz UCKFJOVGZGIALC-IAGOWNOFSA-N 2 1 276.424 3.176 20 0 CGADMP COc1c(C)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1C ZINC001236220801 819388269 /nfs/dbraw/zinc/38/82/69/819388269.db2.gz ZFXRMBSCQPEBPD-JKSUJKDBSA-N 2 1 276.424 3.014 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1C ZINC001236220801 819388275 /nfs/dbraw/zinc/38/82/75/819388275.db2.gz ZFXRMBSCQPEBPD-JKSUJKDBSA-N 2 1 276.424 3.014 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1CC ZINC001236222901 819389253 /nfs/dbraw/zinc/38/92/53/819389253.db2.gz NIQBNIKHWZUSAE-QAQDUYKDSA-N 2 1 290.451 3.349 20 0 CGADMP C[C@@H](CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)CC(C)(C)C ZINC001236315059 819420513 /nfs/dbraw/zinc/42/05/13/819420513.db2.gz VGMWTWWTKOHTAP-HRCADAONSA-N 2 1 266.473 3.380 20 0 CGADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001236319642 819423465 /nfs/dbraw/zinc/42/34/65/819423465.db2.gz CAXALRWJNAUYKG-GASCZTMLSA-N 2 1 298.405 3.410 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367254 819436605 /nfs/dbraw/zinc/43/66/05/819436605.db2.gz LJVTUOYZVRHQOB-CQSZACIVSA-N 2 1 278.415 3.426 20 0 CGADMP CC[N@@H+](CCCc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407513 819454416 /nfs/dbraw/zinc/45/44/16/819454416.db2.gz FFHWHQZXMSRTFY-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP CC[N@H+](Cc1ccccc1C(C)C)C[C@H]1CC[NH2+]C1 ZINC001236409487 819455651 /nfs/dbraw/zinc/45/56/51/819455651.db2.gz VGKCKJOQRDZELY-HNNXBMFYSA-N 2 1 260.425 3.241 20 0 CGADMP CC[N@H+](Cc1ccc(F)c(C2CC2)c1)C[C@H]1CC[NH2+]C1 ZINC001236410750 819457705 /nfs/dbraw/zinc/45/77/05/819457705.db2.gz KMUJCCAZIIJXSN-AWEZNQCLSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001236415633 819461233 /nfs/dbraw/zinc/46/12/33/819461233.db2.gz OZEQTMRFOJQQJU-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001236415633 819461238 /nfs/dbraw/zinc/46/12/38/819461238.db2.gz OZEQTMRFOJQQJU-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP CC(C)[N@H+](Cc1cccc2cc[nH]c21)[C@@H]1CCC[NH2+]C1 ZINC001236467721 819488839 /nfs/dbraw/zinc/48/88/39/819488839.db2.gz IFMYYVHAYQMRAR-MRXNPFEDSA-N 2 1 271.408 3.130 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2cc[nH]c21)[C@@H]1CCC[NH2+]C1 ZINC001236467721 819488844 /nfs/dbraw/zinc/48/88/44/819488844.db2.gz IFMYYVHAYQMRAR-MRXNPFEDSA-N 2 1 271.408 3.130 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468073 819489475 /nfs/dbraw/zinc/48/94/75/819489475.db2.gz FRASAAYKFZNPEA-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468073 819489477 /nfs/dbraw/zinc/48/94/77/819489477.db2.gz FRASAAYKFZNPEA-QGZVFWFLSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1ccc(C[N@@H+](CC2CCC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236493527 819502544 /nfs/dbraw/zinc/50/25/44/819502544.db2.gz WAEZXPZADNIJLK-UHFFFAOYSA-N 2 1 290.426 3.488 20 0 CGADMP Fc1ccc(C[N@H+](CCC2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236501256 819505678 /nfs/dbraw/zinc/50/56/78/819505678.db2.gz ABEAWDOOAIMZTG-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP Fc1ccc(C[N@@H+](CCC2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236501256 819505683 /nfs/dbraw/zinc/50/56/83/819505683.db2.gz ABEAWDOOAIMZTG-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C[C@@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC001236518100 819510888 /nfs/dbraw/zinc/51/08/88/819510888.db2.gz PMRQVKUUMSYJPS-CJNGLKHVSA-N 2 1 290.426 3.344 20 0 CGADMP CCC(CC)C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553329 819535525 /nfs/dbraw/zinc/53/55/25/819535525.db2.gz WXFAHCDHEMRRRI-WKILWMFISA-N 2 1 252.446 3.405 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C2CCC2)CC1 ZINC001236572846 819540352 /nfs/dbraw/zinc/54/03/52/819540352.db2.gz VHQPCOVXLGSSFF-QXUSFIETSA-N 2 1 274.452 3.323 20 0 CGADMP Cc1c(F)cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236600758 819549172 /nfs/dbraw/zinc/54/91/72/819549172.db2.gz JALHUEXZLATWFB-CYBMUJFWSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1c(F)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236600758 819549176 /nfs/dbraw/zinc/54/91/76/819549176.db2.gz JALHUEXZLATWFB-CYBMUJFWSA-N 2 1 294.389 3.237 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236604180 819550635 /nfs/dbraw/zinc/55/06/35/819550635.db2.gz JGPAYVMWQWMKKX-JKSUJKDBSA-N 2 1 252.446 3.430 20 0 CGADMP Cc1cccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1C ZINC001236633813 819557389 /nfs/dbraw/zinc/55/73/89/819557389.db2.gz MJRLBEDIICUSDP-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP CCC(CC)[N@@H+](CCCCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783559 819592964 /nfs/dbraw/zinc/59/29/64/819592964.db2.gz UKXKRLBPQLFMFJ-JCNLHEQBSA-N 3 1 283.504 3.266 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1cccc(N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780893 819593389 /nfs/dbraw/zinc/59/33/89/819593389.db2.gz WFVYTSAIOIMRLF-JCNLHEQBSA-N 2 1 289.467 3.387 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@@H]12 ZINC001236817193 819606774 /nfs/dbraw/zinc/60/67/74/819606774.db2.gz ACTWJFFASBTDQD-CGTJXYLNSA-N 2 1 284.447 3.168 20 0 CGADMP CCC[N@@H+](CCCc1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC001236829506 819610012 /nfs/dbraw/zinc/61/00/12/819610012.db2.gz KVYFRMMIKRGQGU-HNNXBMFYSA-N 2 1 278.415 3.080 20 0 CGADMP CCC[N@H+](Cc1ccc(-n2cccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236842927 819618824 /nfs/dbraw/zinc/61/88/24/819618824.db2.gz HUBRHEPTIYLMHL-SFHVURJKSA-N 2 1 297.446 3.299 20 0 CGADMP CCC[N@H+](Cc1ccccc1SC)C[C@@H]1CC[NH2+]C1 ZINC001236843369 819619268 /nfs/dbraw/zinc/61/92/68/819619268.db2.gz NNJYHBZUSWAPKB-CQSZACIVSA-N 2 1 278.465 3.230 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001237019697 819644755 /nfs/dbraw/zinc/64/47/55/819644755.db2.gz JYAJWIMKCPADLJ-WDYCEAGBSA-N 2 1 284.447 3.364 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001237019697 819644759 /nfs/dbraw/zinc/64/47/59/819644759.db2.gz JYAJWIMKCPADLJ-WDYCEAGBSA-N 2 1 284.447 3.364 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237060292 819656533 /nfs/dbraw/zinc/65/65/33/819656533.db2.gz ZKJFIUHJKIJDFV-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237081799 819661888 /nfs/dbraw/zinc/66/18/88/819661888.db2.gz MORJVZGZXMUDSF-KRWDZBQOSA-N 2 1 260.425 3.371 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155864 819683494 /nfs/dbraw/zinc/68/34/94/819683494.db2.gz UDKSFJZABODYJZ-INIZCTEOSA-N 2 1 288.435 3.116 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155864 819683496 /nfs/dbraw/zinc/68/34/96/819683496.db2.gz UDKSFJZABODYJZ-INIZCTEOSA-N 2 1 288.435 3.116 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2c1 ZINC001237391321 819741911 /nfs/dbraw/zinc/74/19/11/819741911.db2.gz KYQNDJCQLCZQBY-MJGOQNOKSA-N 2 1 296.414 3.119 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237395119 819743957 /nfs/dbraw/zinc/74/39/57/819743957.db2.gz XDWOYMDOLMOICV-FUHWJXTLSA-N 2 1 297.446 3.235 20 0 CGADMP FC(F)c1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237394827 819744144 /nfs/dbraw/zinc/74/41/44/819744144.db2.gz WHWXNUNJEOWUNR-DZGCQCFKSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237394827 819744149 /nfs/dbraw/zinc/74/41/49/819744149.db2.gz WHWXNUNJEOWUNR-DZGCQCFKSA-N 2 1 280.362 3.198 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237404050 819744610 /nfs/dbraw/zinc/74/46/10/819744610.db2.gz MXWNHPJWUWRTCR-OALUTQOASA-N 2 1 286.463 3.459 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c12 ZINC001237411592 819746260 /nfs/dbraw/zinc/74/62/60/819746260.db2.gz GXTMWPCWTXDQKW-RDJZCZTQSA-N 2 1 295.430 3.117 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H](C)[C@@H](F)C3)cc21 ZINC001237881268 819870033 /nfs/dbraw/zinc/87/00/33/819870033.db2.gz PTRILWNTTINROW-DYVFJYSZSA-N 2 1 288.410 3.478 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](C)[C@@H](F)C3)cc21 ZINC001237881268 819870038 /nfs/dbraw/zinc/87/00/38/819870038.db2.gz PTRILWNTTINROW-DYVFJYSZSA-N 2 1 288.410 3.478 20 0 CGADMP COc1ccccc1CC[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238112380 819935840 /nfs/dbraw/zinc/93/58/40/819935840.db2.gz BPYCULGZCRPMDZ-UHFFFAOYSA-N 2 1 295.386 3.017 20 0 CGADMP Cc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C)s1 ZINC001240430020 821049498 /nfs/dbraw/zinc/04/94/98/821049498.db2.gz FGLFICNLSJECSY-UHFFFAOYSA-N 2 1 283.400 3.366 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1C(C)(C)[NH3+] ZINC001241250562 821672017 /nfs/dbraw/zinc/67/20/17/821672017.db2.gz NICOKZQRTKKYNL-UHFFFAOYSA-N 2 1 269.392 3.317 20 0 CGADMP C[N@H+]1CCC=C(c2ccccc2C[NH+]2CCCC2)C1 ZINC001241569876 821954530 /nfs/dbraw/zinc/95/45/30/821954530.db2.gz TYABDJMGCFBDOR-UHFFFAOYSA-N 2 1 256.393 3.001 20 0 CGADMP C[C@@H]([NH3+])c1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001241817677 822160115 /nfs/dbraw/zinc/16/01/15/822160115.db2.gz IJYJCLUTJZOTPO-OAHLLOKOSA-N 2 1 296.414 3.206 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3F)CC1 ZINC001339038882 936346131 /nfs/dbraw/zinc/34/61/31/936346131.db2.gz AZEBIRSKTDMWCV-GUYCJALGSA-N 2 1 276.399 3.229 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3F)CC1 ZINC001339038882 936346134 /nfs/dbraw/zinc/34/61/34/936346134.db2.gz AZEBIRSKTDMWCV-GUYCJALGSA-N 2 1 276.399 3.229 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)CC1(C)C ZINC001334889989 936121495 /nfs/dbraw/zinc/12/14/95/936121495.db2.gz ULHXBNDCSUGLTP-KRWDZBQOSA-N 2 1 272.436 3.138 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccnc1 ZINC001342390047 936466130 /nfs/dbraw/zinc/46/61/30/936466130.db2.gz OEYYHPSPNVYPSC-RDJZCZTQSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1ccc(CC[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001343332616 936495416 /nfs/dbraw/zinc/49/54/16/936495416.db2.gz FVXLRXVMBMKBIA-GBESFXJTSA-N 2 1 286.463 3.200 20 0 CGADMP Cc1sccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343333848 936495512 /nfs/dbraw/zinc/49/55/12/936495512.db2.gz PUFJYZALJMQGHX-XHSDSOJGSA-N 2 1 278.465 3.219 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC001344438141 936534295 /nfs/dbraw/zinc/53/42/95/936534295.db2.gz LAJXYYLNXCZCAA-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2Cl)CC1(C)C ZINC001348090191 936910479 /nfs/dbraw/zinc/91/04/79/936910479.db2.gz WTTQPGDYEMEMFV-LBPRGKRZSA-N 2 1 298.833 3.484 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001349911895 936968413 /nfs/dbraw/zinc/96/84/13/936968413.db2.gz SCJKGLKRQDNKMB-ZFWWWQNUSA-N 2 1 288.439 3.052 20 0 CGADMP Cc1scc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC001474547423 937206164 /nfs/dbraw/zinc/20/61/64/937206164.db2.gz ZSUTZDDNNJHJTN-MRXNPFEDSA-N 2 1 278.465 3.283 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001473912741 937202401 /nfs/dbraw/zinc/20/24/01/937202401.db2.gz UTXGJZXJYAXYQJ-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550540445 928284596 /nfs/dbraw/zinc/28/45/96/928284596.db2.gz DPLWKHGQIAVUKJ-SNPRPXQTSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540445 928284607 /nfs/dbraw/zinc/28/46/07/928284607.db2.gz DPLWKHGQIAVUKJ-SNPRPXQTSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540445 928284623 /nfs/dbraw/zinc/28/46/23/928284623.db2.gz DPLWKHGQIAVUKJ-SNPRPXQTSA-N 2 1 278.827 3.285 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001561053572 937239286 /nfs/dbraw/zinc/23/92/86/937239286.db2.gz XFCUFCURQBZHOO-ZVDSWSACSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001460557967 937534877 /nfs/dbraw/zinc/53/48/77/937534877.db2.gz DWYAAUOIVPXLKK-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001460557967 937534878 /nfs/dbraw/zinc/53/48/78/937534878.db2.gz DWYAAUOIVPXLKK-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001460557967 937534879 /nfs/dbraw/zinc/53/48/79/937534879.db2.gz DWYAAUOIVPXLKK-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001460557967 937534880 /nfs/dbraw/zinc/53/48/80/937534880.db2.gz DWYAAUOIVPXLKK-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)ccc2c1 ZINC000319952059 932034396 /nfs/dbraw/zinc/03/43/96/932034396.db2.gz PTHXJIXPYGCVRW-MRXNPFEDSA-N 2 1 298.430 3.409 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC001461276796 937574264 /nfs/dbraw/zinc/57/42/64/937574264.db2.gz RWTPVPGHVWQVTA-WBVHZDCISA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC001461415424 937580214 /nfs/dbraw/zinc/58/02/14/937580214.db2.gz VARRLIRDAAYQRQ-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC001462100503 937617811 /nfs/dbraw/zinc/61/78/11/937617811.db2.gz SVPNDXWHBMUWAT-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cc(C)cc(C)c1 ZINC001462197934 937624527 /nfs/dbraw/zinc/62/45/27/937624527.db2.gz IYYOQMYTAHCWEF-UHFFFAOYSA-N 2 1 285.435 3.373 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cc(C)cc(C)c1 ZINC001462197934 937624528 /nfs/dbraw/zinc/62/45/28/937624528.db2.gz IYYOQMYTAHCWEF-UHFFFAOYSA-N 2 1 285.435 3.373 20 0 CGADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CCCCC1 ZINC001462334983 937632527 /nfs/dbraw/zinc/63/25/27/937632527.db2.gz OBQXVFRTUWUXCT-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CCCCC1 ZINC001462334983 937632530 /nfs/dbraw/zinc/63/25/30/937632530.db2.gz OBQXVFRTUWUXCT-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001462516552 937646528 /nfs/dbraw/zinc/64/65/28/937646528.db2.gz CUGNBCLCZUEWAA-KYHPRHEASA-N 2 1 276.468 3.419 20 0 CGADMP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001462516552 937646530 /nfs/dbraw/zinc/64/65/30/937646530.db2.gz CUGNBCLCZUEWAA-KYHPRHEASA-N 2 1 276.468 3.419 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC001308225283 933075632 /nfs/dbraw/zinc/07/56/32/933075632.db2.gz QRODOFHWQZKMPP-OAHLLOKOSA-N 2 1 280.843 3.470 20 0 CGADMP CNc1ccc(C)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC001308689137 933158463 /nfs/dbraw/zinc/15/84/63/933158463.db2.gz LUCJRIUZUAZALK-UHFFFAOYSA-N 2 1 287.451 3.097 20 0 CGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H](C)C(C)(C)C ZINC001308741721 933168483 /nfs/dbraw/zinc/16/84/83/933168483.db2.gz XBDHAQAGWKFNCU-IAGOWNOFSA-N 2 1 297.531 3.017 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC001308751462 933170455 /nfs/dbraw/zinc/17/04/55/933170455.db2.gz RQFPIPAEMGYDSP-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC001308751462 933170457 /nfs/dbraw/zinc/17/04/57/933170457.db2.gz RQFPIPAEMGYDSP-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+](CC1CC[NH+](CC)CC1)C1CC(C)(C)C1 ZINC001308814619 933181438 /nfs/dbraw/zinc/18/14/38/933181438.db2.gz JFGPHGBVWDQEQL-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)CC1 ZINC001474667913 933638031 /nfs/dbraw/zinc/63/80/31/933638031.db2.gz NQXHTEZTYNPFRU-AQNXPRMDSA-N 2 1 298.474 3.454 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)[C@@H](C)C1 ZINC001319377240 933866848 /nfs/dbraw/zinc/86/68/48/933866848.db2.gz LLARNZPTPXZTGT-FUHWJXTLSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C[C@@H](C)C1 ZINC001320071029 933991886 /nfs/dbraw/zinc/99/18/86/933991886.db2.gz MPZYTVCPZCLRKC-CQJMVSDSSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC001320718978 934093737 /nfs/dbraw/zinc/09/37/37/934093737.db2.gz JPWLUSJRQWIKOE-HUUCEWRRSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC001320754620 934099157 /nfs/dbraw/zinc/09/91/57/934099157.db2.gz VOUILTDRGJPKJL-INIZCTEOSA-N 2 1 278.415 3.078 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC001323474973 934398787 /nfs/dbraw/zinc/39/87/87/934398787.db2.gz FSCGYBBFFUZXHO-HYVNUMGLSA-N 2 1 288.435 3.015 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001323596062 934410529 /nfs/dbraw/zinc/41/05/29/934410529.db2.gz SIXNQNWFBQBLQH-GJZGRUSLSA-N 2 1 275.440 3.027 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC001323596062 934410533 /nfs/dbraw/zinc/41/05/33/934410533.db2.gz SIXNQNWFBQBLQH-GJZGRUSLSA-N 2 1 275.440 3.027 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2F)C1 ZINC001323977618 934444979 /nfs/dbraw/zinc/44/49/79/934444979.db2.gz PCVOZUAJQHPZIK-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2F)C1 ZINC001323977618 934444983 /nfs/dbraw/zinc/44/49/83/934444983.db2.gz PCVOZUAJQHPZIK-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC12CCC(CC1)C2 ZINC001473192840 937796557 /nfs/dbraw/zinc/79/65/57/937796557.db2.gz PJDSCJJDFOFCOZ-AQFXKWCLSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC12CCC(CC1)C2 ZINC001473192840 937796558 /nfs/dbraw/zinc/79/65/58/937796558.db2.gz PJDSCJJDFOFCOZ-AQFXKWCLSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC12CCC(CC1)C2 ZINC001473192840 937796559 /nfs/dbraw/zinc/79/65/59/937796559.db2.gz PJDSCJJDFOFCOZ-AQFXKWCLSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC001327841344 935089216 /nfs/dbraw/zinc/08/92/16/935089216.db2.gz VXGYXEOBSBIDQC-UWVGGRQHSA-N 2 1 290.329 3.076 20 0 CGADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1 ZINC001329226411 935198161 /nfs/dbraw/zinc/19/81/61/935198161.db2.gz YMDWXDSSRHSYKE-HOTGVXAUSA-N 2 1 296.503 3.047 20 0 CGADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC001331931863 935423048 /nfs/dbraw/zinc/42/30/48/935423048.db2.gz CWFAHJGQYUSEPK-LBPRGKRZSA-N 2 1 264.438 3.021 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC001333586039 935549364 /nfs/dbraw/zinc/54/93/64/935549364.db2.gz CLKHZLXPIJBGNG-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccsc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001333891334 936074166 /nfs/dbraw/zinc/07/41/66/936074166.db2.gz KIOQKVXQCPHNRE-ZNMIVQPWSA-N 2 1 278.465 3.219 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001334550023 936105320 /nfs/dbraw/zinc/10/53/20/936105320.db2.gz PNLVLRVFXOUDDP-YOWGUQMCSA-N 2 1 286.410 3.084 20 0 CGADMP Cc1cccc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[nH+]1 ZINC001337915906 936297734 /nfs/dbraw/zinc/29/77/34/936297734.db2.gz RVGJBKUPYIVIEQ-HUUCEWRRSA-N 2 1 273.424 3.455 20 0 CGADMP Cc1cccc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[nH+]1 ZINC001337915906 936297738 /nfs/dbraw/zinc/29/77/38/936297738.db2.gz RVGJBKUPYIVIEQ-HUUCEWRRSA-N 2 1 273.424 3.455 20 0 CGADMP C[C@H]1C[N@@H+](CCSC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001473759812 937821024 /nfs/dbraw/zinc/82/10/24/937821024.db2.gz POIABVXNJBLZPP-AWEZNQCLSA-N 2 1 293.480 3.124 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H](SC)C1)[NH+]1CCCC1 ZINC001473926765 937830615 /nfs/dbraw/zinc/83/06/15/937830615.db2.gz HXNFAWDZZVBEJG-KFWWJZLASA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C1 ZINC001473964588 937832743 /nfs/dbraw/zinc/83/27/43/937832743.db2.gz FQNWYURVPFONPO-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001473974833 937833100 /nfs/dbraw/zinc/83/31/00/937833100.db2.gz NAUGBDWGURAAKC-RYQLBKOJSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001473974833 937833102 /nfs/dbraw/zinc/83/31/02/937833102.db2.gz NAUGBDWGURAAKC-RYQLBKOJSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1 ZINC001473969694 937833150 /nfs/dbraw/zinc/83/31/50/937833150.db2.gz SBPGYCCZNNNGQM-OAHLLOKOSA-N 2 1 283.419 3.431 20 0 CGADMP CCNc1ccccc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001474108665 937840468 /nfs/dbraw/zinc/84/04/68/937840468.db2.gz CRLAGBWFIPIWGI-MRXNPFEDSA-N 2 1 289.467 3.473 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001474435363 937859547 /nfs/dbraw/zinc/85/95/47/937859547.db2.gz CZTDTXCIOFKCLL-WCXIOVBPSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1(C(C)C)CC1 ZINC001474501037 937863247 /nfs/dbraw/zinc/86/32/47/937863247.db2.gz OALPZPHYGPWGFM-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CCO1 ZINC001474645020 937872945 /nfs/dbraw/zinc/87/29/45/937872945.db2.gz BLVRDNYTBIUZMG-SJORKVTESA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)C1CCC(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC001474671141 937873893 /nfs/dbraw/zinc/87/38/93/937873893.db2.gz SBHLXTNALPLFOK-FOIPXRHGSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC001474671141 937873895 /nfs/dbraw/zinc/87/38/95/937873895.db2.gz SBHLXTNALPLFOK-FOIPXRHGSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC001474671141 937873896 /nfs/dbraw/zinc/87/38/96/937873896.db2.gz SBHLXTNALPLFOK-FOIPXRHGSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC001474671141 937873898 /nfs/dbraw/zinc/87/38/98/937873898.db2.gz SBHLXTNALPLFOK-FOIPXRHGSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001474747391 937878886 /nfs/dbraw/zinc/87/88/86/937878886.db2.gz BVMLJGLWJJJKNN-GVDBMIGSSA-N 2 1 266.473 3.475 20 0 CGADMP FC(F)(F)[C@@H]1C[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552262235 938190546 /nfs/dbraw/zinc/19/05/46/938190546.db2.gz DGGCIPTWQBDIJK-DGAVXFQQSA-N 2 1 284.325 3.020 20 0 CGADMP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H](CC)c1ccccc1 ZINC001559503020 938227759 /nfs/dbraw/zinc/22/77/59/938227759.db2.gz UJNPHFLPAGFYGL-ZWKOTPCHSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H](CC)c1ccccc1 ZINC001559503020 938227760 /nfs/dbraw/zinc/22/77/60/938227760.db2.gz UJNPHFLPAGFYGL-ZWKOTPCHSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](CC)c1ccccc1 ZINC001559503020 938227761 /nfs/dbraw/zinc/22/77/61/938227761.db2.gz UJNPHFLPAGFYGL-ZWKOTPCHSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](CC)c1ccccc1 ZINC001559503020 938227762 /nfs/dbraw/zinc/22/77/62/938227762.db2.gz UJNPHFLPAGFYGL-ZWKOTPCHSA-N 2 1 292.467 3.162 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001560225898 938247867 /nfs/dbraw/zinc/24/78/67/938247867.db2.gz GDBOAUHSEJOROP-MRXNPFEDSA-N 2 1 275.440 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001560225898 938247868 /nfs/dbraw/zinc/24/78/68/938247868.db2.gz GDBOAUHSEJOROP-MRXNPFEDSA-N 2 1 275.440 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001560225898 938247869 /nfs/dbraw/zinc/24/78/69/938247869.db2.gz GDBOAUHSEJOROP-MRXNPFEDSA-N 2 1 275.440 3.255 20 0 CGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC001560263185 938249910 /nfs/dbraw/zinc/24/99/10/938249910.db2.gz RVGUPJRUCSHXDX-UHFFFAOYSA-N 2 1 294.487 3.075 20 0 CGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC001560263185 938249911 /nfs/dbraw/zinc/24/99/11/938249911.db2.gz RVGUPJRUCSHXDX-UHFFFAOYSA-N 2 1 294.487 3.075 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1OC1CCCC1 ZINC001560299187 938251880 /nfs/dbraw/zinc/25/18/80/938251880.db2.gz MVEWSRSNCAMLFU-UHFFFAOYSA-N 2 1 299.418 3.303 20 0 CGADMP CCc1ncc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001560406362 938257066 /nfs/dbraw/zinc/25/70/66/938257066.db2.gz CPKNBNLEXKAKNM-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC001560406362 938257067 /nfs/dbraw/zinc/25/70/67/938257067.db2.gz CPKNBNLEXKAKNM-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001560406362 938257069 /nfs/dbraw/zinc/25/70/69/938257069.db2.gz CPKNBNLEXKAKNM-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC001560465578 938259287 /nfs/dbraw/zinc/25/92/87/938259287.db2.gz YDZBQVHAIOOKRD-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC001560465578 938259289 /nfs/dbraw/zinc/25/92/89/938259289.db2.gz YDZBQVHAIOOKRD-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC001560706051 938271236 /nfs/dbraw/zinc/27/12/36/938271236.db2.gz ZLJKGKFOCCXSOS-XIRDDKMYSA-N 2 1 264.457 3.229 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC001577419455 960477419 /nfs/dbraw/zinc/47/74/19/960477419.db2.gz SGCJLZOKZWHYLH-MSOLQXFVSA-N 2 1 295.515 3.010 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC001575422213 962382367 /nfs/dbraw/zinc/38/23/67/962382367.db2.gz FWPMIJPVWSDCPT-IAGOWNOFSA-N 2 1 275.440 3.230 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)c1 ZINC001575812971 962413738 /nfs/dbraw/zinc/41/37/38/962413738.db2.gz IQERLOGASMVYBV-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576119304 962437371 /nfs/dbraw/zinc/43/73/71/962437371.db2.gz DLGYCTQNIABBNY-CMPLNLGQSA-N 2 1 287.234 3.205 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576119304 962437388 /nfs/dbraw/zinc/43/73/88/962437388.db2.gz DLGYCTQNIABBNY-CMPLNLGQSA-N 2 1 287.234 3.205 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC001576380654 962456092 /nfs/dbraw/zinc/45/60/92/962456092.db2.gz WIVISWZRUXDFST-CVEARBPZSA-N 2 1 288.366 3.301 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)CC[NH2+]C1 ZINC001576503936 962464863 /nfs/dbraw/zinc/46/48/63/962464863.db2.gz XYMZHHHMRWDEAQ-DOTOQJQBSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)[C@H]1CC[NH3+] ZINC001576705544 962485396 /nfs/dbraw/zinc/48/53/96/962485396.db2.gz UMXFKMMCUILNCK-GRYCIOLGSA-N 2 1 279.255 3.020 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)Cc1ccccc1 ZINC001576850316 962489698 /nfs/dbraw/zinc/48/96/98/962489698.db2.gz RYLPJNMDJFHDRN-JQHSSLGASA-N 2 1 274.452 3.089 20 0 CGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1C[NH3+] ZINC001576802517 962490820 /nfs/dbraw/zinc/49/08/20/962490820.db2.gz YIAGXWOPYDWSQF-ZBFHGGJFSA-N 2 1 252.446 3.264 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Br)c(C)c1 ZINC001577109529 962506336 /nfs/dbraw/zinc/50/63/36/962506336.db2.gz DNJMKUDBFVYIEK-UHFFFAOYSA-N 2 1 299.256 3.365 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC001577096631 962512557 /nfs/dbraw/zinc/51/25/57/962512557.db2.gz SKJZXXMBMOIUCA-HUUCEWRRSA-N 2 1 280.843 3.249 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001577249319 962513207 /nfs/dbraw/zinc/51/32/07/962513207.db2.gz GXWWAFVIHSGRAP-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](Cc1cccc(Br)c1)CC1(C[NH3+])CC1 ZINC001577738178 962566027 /nfs/dbraw/zinc/56/60/27/962566027.db2.gz MEZHVGVHSRNZIH-UHFFFAOYSA-N 2 1 297.240 3.010 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001578266532 962584216 /nfs/dbraw/zinc/58/42/16/962584216.db2.gz KUKIXJPMXSKVRM-IAOVAPTHSA-N 2 1 290.426 3.254 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc2c(ccnc2Cl)o1 ZINC001578465889 962596048 /nfs/dbraw/zinc/59/60/48/962596048.db2.gz UEIHZJOXXRAWGQ-UHFFFAOYSA-N 2 1 295.814 3.432 20 0 CGADMP C[C@]1(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)C[C@@H]1c1ccccc1 ZINC001579509867 962630018 /nfs/dbraw/zinc/63/00/18/962630018.db2.gz MHBRRJONASUCIP-TVFCKZIOSA-N 2 1 270.420 3.054 20 0 CGADMP Cc1c(Cl)ccc2c1C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC001579534693 962631625 /nfs/dbraw/zinc/63/16/25/962631625.db2.gz PVRKFBJSWDMLJE-CYBMUJFWSA-N 2 1 278.827 3.006 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC001579572181 962635783 /nfs/dbraw/zinc/63/57/83/962635783.db2.gz RDCXXGAIMDFMPR-HKVCONOFSA-N 2 1 284.447 3.309 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC001579572181 962635791 /nfs/dbraw/zinc/63/57/91/962635791.db2.gz RDCXXGAIMDFMPR-HKVCONOFSA-N 2 1 284.447 3.309 20 0 CGADMP Cc1ccc(C[NH2+][C@]2(C[NH3+])CCCC[C@@H]2C)c(C)c1 ZINC001579696875 962655902 /nfs/dbraw/zinc/65/59/02/962655902.db2.gz KNQPRDKSTAXIAN-RDJZCZTQSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H](C)[NH3+] ZINC001579784787 962674150 /nfs/dbraw/zinc/67/41/50/962674150.db2.gz RELVAISXNUDWOV-CQSZACIVSA-N 2 1 254.377 3.099 20 0 CGADMP Fc1cccc(CC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001580033155 962687627 /nfs/dbraw/zinc/68/76/27/962687627.db2.gz ABRHNXJIHVVSEG-AEFFLSMTSA-N 2 1 290.426 3.222 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC001579938939 962691074 /nfs/dbraw/zinc/69/10/74/962691074.db2.gz NZGKFCRWVXWULF-HOTGVXAUSA-N 2 1 292.854 3.204 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)C1 ZINC001580418774 962721376 /nfs/dbraw/zinc/72/13/76/962721376.db2.gz AFBXOGPMNXXSCY-UAGQMJEPSA-N 2 1 270.420 3.341 20 0 CGADMP FC1(F)C[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000621379599 349513983 /nfs/dbraw/zinc/51/39/83/349513983.db2.gz ZJGOPPXEGWCPJN-HNNXBMFYSA-N 2 1 294.389 3.286 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1nccc2ccccc21)C1CC1 ZINC000651599778 398257493 /nfs/dbraw/zinc/25/74/93/398257493.db2.gz XZHFSYPPZPUITR-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3c2CCC3)CC1 ZINC000651611694 398258541 /nfs/dbraw/zinc/25/85/41/398258541.db2.gz IAOYHGNGNYJPCQ-UHFFFAOYSA-N 2 1 286.463 3.480 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc3cnccc3o2)C[C@H]1C ZINC000651644494 398261594 /nfs/dbraw/zinc/26/15/94/398261594.db2.gz SXOWPDZDGLQFQI-UKRRQHHQSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cnccc3o2)C[C@H]1C ZINC000651644494 398261596 /nfs/dbraw/zinc/26/15/96/398261596.db2.gz SXOWPDZDGLQFQI-UKRRQHHQSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3cnccc3o2)C[C@H]1C ZINC000651644494 398261598 /nfs/dbraw/zinc/26/15/98/398261598.db2.gz SXOWPDZDGLQFQI-UKRRQHHQSA-N 2 1 287.407 3.132 20 0 CGADMP CCCc1ccc(CN2CC[C@H](C[N@@H+](C)CC)C2)s1 ZINC000621718416 349563750 /nfs/dbraw/zinc/56/37/50/349563750.db2.gz HHWWTYUZZNRKNR-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)s1 ZINC000621718416 349563754 /nfs/dbraw/zinc/56/37/54/349563754.db2.gz HHWWTYUZZNRKNR-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)s1 ZINC000621718416 349563755 /nfs/dbraw/zinc/56/37/55/349563755.db2.gz HHWWTYUZZNRKNR-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)s1 ZINC000621718416 349563758 /nfs/dbraw/zinc/56/37/58/349563758.db2.gz HHWWTYUZZNRKNR-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)s1 ZINC000621718416 349563759 /nfs/dbraw/zinc/56/37/59/349563759.db2.gz HHWWTYUZZNRKNR-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000651670480 398265681 /nfs/dbraw/zinc/26/56/81/398265681.db2.gz KJDAIIRPWGRIQE-JKSUJKDBSA-N 2 1 250.430 3.172 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000621712014 349560267 /nfs/dbraw/zinc/56/02/67/349560267.db2.gz PFRVEEQBFDSKIZ-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000621712014 349560270 /nfs/dbraw/zinc/56/02/70/349560270.db2.gz PFRVEEQBFDSKIZ-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000621712014 349560272 /nfs/dbraw/zinc/56/02/72/349560272.db2.gz PFRVEEQBFDSKIZ-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651681211 398268491 /nfs/dbraw/zinc/26/84/91/398268491.db2.gz HADOITPYHXPHNS-RISCZKNCSA-N 2 1 296.817 3.398 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651681211 398268492 /nfs/dbraw/zinc/26/84/92/398268492.db2.gz HADOITPYHXPHNS-RISCZKNCSA-N 2 1 296.817 3.398 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337775528 214255524 /nfs/dbraw/zinc/25/55/24/214255524.db2.gz XHULNRXIAQTKHC-IAGOWNOFSA-N 2 1 260.425 3.241 20 0 CGADMP CCc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000651721787 398275900 /nfs/dbraw/zinc/27/59/00/398275900.db2.gz RPUAKQJZYRKWSR-WMLDXEAASA-N 2 1 260.425 3.069 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000651741412 398279586 /nfs/dbraw/zinc/27/95/86/398279586.db2.gz JGRYUANGXCUZER-IAGOWNOFSA-N 2 1 298.515 3.395 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH2+]CCCn2cc[nH+]c2C)C1 ZINC000337946584 214326074 /nfs/dbraw/zinc/32/60/74/214326074.db2.gz OPXITPPAUIXRKC-HZPDHXFCSA-N 2 1 263.429 3.388 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000337948992 214326553 /nfs/dbraw/zinc/32/65/53/214326553.db2.gz ZMUSKWJETXSXSZ-DUXPYHPUSA-N 2 1 291.345 3.163 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000651866002 398298681 /nfs/dbraw/zinc/29/86/81/398298681.db2.gz PYLKUKRGHPJHJY-HNNXBMFYSA-N 2 1 266.429 3.168 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000651865998 398298881 /nfs/dbraw/zinc/29/88/81/398298881.db2.gz PSZOHHUPPYGJAN-UHFFFAOYSA-N 2 1 273.424 3.235 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337993491 214349699 /nfs/dbraw/zinc/34/96/99/214349699.db2.gz HUMDDIAOXJVCIK-KBMXLJTQSA-N 2 1 281.419 3.336 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000338007677 214357241 /nfs/dbraw/zinc/35/72/41/214357241.db2.gz ARTSNEVFTIXNTC-CVEARBPZSA-N 2 1 261.413 3.140 20 0 CGADMP CC[N@@H+](CCC[NH2+]Cc1cc[nH]c1)C1CCCCC1 ZINC000651910130 398304734 /nfs/dbraw/zinc/30/47/34/398304734.db2.gz HZTQSIZVIXCGNR-UHFFFAOYSA-N 2 1 263.429 3.149 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000338014171 214360348 /nfs/dbraw/zinc/36/03/48/214360348.db2.gz RRHLIBBGWNRFOM-QGZVFWFLSA-N 2 1 269.392 3.167 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1cccc2C ZINC000338014170 214360793 /nfs/dbraw/zinc/36/07/93/214360793.db2.gz RRHLIBBGWNRFOM-KRWDZBQOSA-N 2 1 269.392 3.167 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338024572 214368543 /nfs/dbraw/zinc/36/85/43/214368543.db2.gz UOSIIOPMVKQSCR-IMJJTQAJSA-N 2 1 263.429 3.386 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000423302917 282955118 /nfs/dbraw/zinc/95/51/18/282955118.db2.gz WKCQAEIOJKQOJU-IAGOWNOFSA-N 2 1 262.441 3.361 20 0 CGADMP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423300425 529498616 /nfs/dbraw/zinc/49/86/16/529498616.db2.gz DQGHEAWCIUCAHL-GFCCVEGCSA-N 2 1 272.392 3.174 20 0 CGADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(F)(F)F ZINC000402554515 529489924 /nfs/dbraw/zinc/48/99/24/529489924.db2.gz GFQAPYZTBOUIHY-LLVKDONJSA-N 2 1 278.362 3.181 20 0 CGADMP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000423302226 529594341 /nfs/dbraw/zinc/59/43/41/529594341.db2.gz JKDUBKQFRCWVHI-ZDUSSCGKSA-N 2 1 273.207 3.254 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414184655 529622615 /nfs/dbraw/zinc/62/26/15/529622615.db2.gz OBSAXFJNEPXOMC-CABCVRRESA-N 2 1 275.440 3.027 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)CC1(C)C ZINC000623335920 349780649 /nfs/dbraw/zinc/78/06/49/349780649.db2.gz LUFZNXGHVKZASF-CQSZACIVSA-N 2 1 266.816 3.302 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)CC1(C)C ZINC000623335920 349780650 /nfs/dbraw/zinc/78/06/50/349780650.db2.gz LUFZNXGHVKZASF-CQSZACIVSA-N 2 1 266.816 3.302 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc(OC)c1 ZINC000423270861 529654562 /nfs/dbraw/zinc/65/45/62/529654562.db2.gz XDJSYFDESNWGFR-ZBFHGGJFSA-N 2 1 264.413 3.109 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623348828 349785625 /nfs/dbraw/zinc/78/56/25/349785625.db2.gz MLVACJDTZGFSEW-STQMWFEESA-N 2 1 266.454 3.142 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)ccc1OC ZINC000423392746 529658910 /nfs/dbraw/zinc/65/89/10/529658910.db2.gz LZHDMWLNHJNOEY-TUKIKUTGSA-N 2 1 296.842 3.387 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623377091 349793596 /nfs/dbraw/zinc/79/35/96/349793596.db2.gz MKCAKFMYFWEDDD-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623377091 349793597 /nfs/dbraw/zinc/79/35/97/349793597.db2.gz MKCAKFMYFWEDDD-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000126286853 187230085 /nfs/dbraw/zinc/23/00/85/187230085.db2.gz QQCGCPAXRBDZLP-MRXNPFEDSA-N 2 1 285.435 3.025 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432818 349808882 /nfs/dbraw/zinc/80/88/82/349808882.db2.gz LNALJFCAERZONG-DZGCQCFKSA-N 2 1 294.414 3.055 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020357 199303355 /nfs/dbraw/zinc/30/33/55/199303355.db2.gz ZYYHVYGBAPMXIP-ZIAGYGMSSA-N 2 1 296.405 3.342 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020357 199303356 /nfs/dbraw/zinc/30/33/56/199303356.db2.gz ZYYHVYGBAPMXIP-ZIAGYGMSSA-N 2 1 296.405 3.342 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020357 199303358 /nfs/dbraw/zinc/30/33/58/199303358.db2.gz ZYYHVYGBAPMXIP-ZIAGYGMSSA-N 2 1 296.405 3.342 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020357 199303360 /nfs/dbraw/zinc/30/33/60/199303360.db2.gz ZYYHVYGBAPMXIP-ZIAGYGMSSA-N 2 1 296.405 3.342 20 0 CGADMP CCc1[nH+]ccn1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000413003103 529760222 /nfs/dbraw/zinc/76/02/22/529760222.db2.gz TXSNJZFIZLGRSJ-UHFFFAOYSA-N 2 1 283.419 3.480 20 0 CGADMP CCc1cnccc1[C@@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623482888 349817815 /nfs/dbraw/zinc/81/78/15/349817815.db2.gz KVDPMTYGZPSZGL-HIFRSBDPSA-N 2 1 275.440 3.167 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623482888 349817823 /nfs/dbraw/zinc/81/78/23/349817823.db2.gz KVDPMTYGZPSZGL-HIFRSBDPSA-N 2 1 275.440 3.167 20 0 CGADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623491001 349819178 /nfs/dbraw/zinc/81/91/78/349819178.db2.gz AFDLSMCBQWHDON-DGCLKSJQSA-N 2 1 281.469 3.017 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000368351122 529801980 /nfs/dbraw/zinc/80/19/80/529801980.db2.gz BAZDTUJDKNIRSY-RCAFFNEUSA-N 2 1 290.838 3.381 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000368351122 529801981 /nfs/dbraw/zinc/80/19/81/529801981.db2.gz BAZDTUJDKNIRSY-RCAFFNEUSA-N 2 1 290.838 3.381 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000368351122 529801983 /nfs/dbraw/zinc/80/19/83/529801983.db2.gz BAZDTUJDKNIRSY-RCAFFNEUSA-N 2 1 290.838 3.381 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000368351122 529801984 /nfs/dbraw/zinc/80/19/84/529801984.db2.gz BAZDTUJDKNIRSY-RCAFFNEUSA-N 2 1 290.838 3.381 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CSc3ccccc32)CC1(C)C ZINC000623534668 349828068 /nfs/dbraw/zinc/82/80/68/349828068.db2.gz ZXUMVQJMRGNXLQ-UONOGXRCSA-N 2 1 290.476 3.338 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3CCC3)CCC2)CC1(C)C ZINC000623544076 349830142 /nfs/dbraw/zinc/83/01/42/349830142.db2.gz LQFSNYMUZSPVIY-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000623544919 349830250 /nfs/dbraw/zinc/83/02/50/349830250.db2.gz RRHGFEXCQFFGQD-UHFFFAOYSA-N 2 1 271.408 3.132 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCCC2)C[C@@H]1c1ccccc1 ZINC000334978653 529795718 /nfs/dbraw/zinc/79/57/18/529795718.db2.gz HGARMCFUZYLAOU-IAGOWNOFSA-N 2 1 258.409 3.354 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCCC2)C[C@@H]1c1ccccc1 ZINC000334978653 529795719 /nfs/dbraw/zinc/79/57/19/529795719.db2.gz HGARMCFUZYLAOU-IAGOWNOFSA-N 2 1 258.409 3.354 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)[C@H]2CCC[C@H]21 ZINC000367629379 529806738 /nfs/dbraw/zinc/80/67/38/529806738.db2.gz YDGQXYVEDYFUKL-NZSAHSFTSA-N 2 1 295.430 3.197 20 0 CGADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573520 349839329 /nfs/dbraw/zinc/83/93/29/349839329.db2.gz LSAIJGBJLMCUTE-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc(SCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000351493164 219103884 /nfs/dbraw/zinc/10/38/84/219103884.db2.gz MDYHIFNUQOCAGT-UAGQMJEPSA-N 2 1 290.476 3.065 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000623657616 349859503 /nfs/dbraw/zinc/85/95/03/349859503.db2.gz VLZLRLKLMAMHRP-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000623657616 349859505 /nfs/dbraw/zinc/85/95/05/349859505.db2.gz VLZLRLKLMAMHRP-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC000246996105 534950477 /nfs/dbraw/zinc/95/04/77/534950477.db2.gz KKDUPEYKAPNAOI-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000623654494 349856594 /nfs/dbraw/zinc/85/65/94/349856594.db2.gz BAGLAULOJDNYIU-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000623654494 349856598 /nfs/dbraw/zinc/85/65/98/349856598.db2.gz BAGLAULOJDNYIU-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000623656083 349857348 /nfs/dbraw/zinc/85/73/48/349857348.db2.gz MOOKKBHOKNBTEK-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000623656083 349857353 /nfs/dbraw/zinc/85/73/53/349857353.db2.gz MOOKKBHOKNBTEK-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000423269183 529985896 /nfs/dbraw/zinc/98/58/96/529985896.db2.gz GXIDBZDNYMBQOG-NXEZZACHSA-N 2 1 275.223 3.500 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000414192856 530055040 /nfs/dbraw/zinc/05/50/40/530055040.db2.gz TWCHOJYMFXLDML-HKUYNNGSSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040622901 344963939 /nfs/dbraw/zinc/96/39/39/344963939.db2.gz HHLCTLVTCPOUSU-MRXNPFEDSA-N 2 1 290.451 3.294 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622901 344963940 /nfs/dbraw/zinc/96/39/40/344963940.db2.gz HHLCTLVTCPOUSU-MRXNPFEDSA-N 2 1 290.451 3.294 20 0 CGADMP CCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044533710 345013019 /nfs/dbraw/zinc/01/30/19/345013019.db2.gz WUSRQHQRIBLIBZ-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000127359377 187299439 /nfs/dbraw/zinc/29/94/39/187299439.db2.gz ZWYUCCZPSKDFMN-SFHVURJKSA-N 2 1 283.419 3.071 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000127359377 187299440 /nfs/dbraw/zinc/29/94/40/187299440.db2.gz ZWYUCCZPSKDFMN-SFHVURJKSA-N 2 1 283.419 3.071 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000051790416 345093290 /nfs/dbraw/zinc/09/32/90/345093290.db2.gz DGAYDWFXHKRWEG-RCMYXZNBSA-N 2 1 258.409 3.020 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000076002037 345530453 /nfs/dbraw/zinc/53/04/53/345530453.db2.gz KFUIFUSYQVUOIR-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000076002037 345530456 /nfs/dbraw/zinc/53/04/56/345530456.db2.gz KFUIFUSYQVUOIR-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000086585674 345750390 /nfs/dbraw/zinc/75/03/90/345750390.db2.gz MUEFLSKRIGELKQ-CQSZACIVSA-N 2 1 296.842 3.169 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000086906251 345751411 /nfs/dbraw/zinc/75/14/11/345751411.db2.gz PXVXGDVRSOEWLC-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000091313903 345810791 /nfs/dbraw/zinc/81/07/91/345810791.db2.gz MEPUCRQTMDVRKJ-KRWDZBQOSA-N 2 1 271.408 3.487 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000091476361 345815740 /nfs/dbraw/zinc/81/57/40/345815740.db2.gz VSCMZZWAIRBMPS-KRWDZBQOSA-N 2 1 287.451 3.338 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000089559954 345771066 /nfs/dbraw/zinc/77/10/66/345771066.db2.gz ISHIEJHSLJROFE-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000090392636 345786055 /nfs/dbraw/zinc/78/60/55/345786055.db2.gz CIGARLRNVQRQGW-AEFFLSMTSA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2Cl)[C@H](C)C1 ZINC000090772489 345793740 /nfs/dbraw/zinc/79/37/40/345793740.db2.gz OTGUXBOIQYIFQO-UKRRQHHQSA-N 2 1 296.842 3.039 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000092806343 345859176 /nfs/dbraw/zinc/85/91/76/345859176.db2.gz NRJWBEUVMVYJHH-GOEBONIOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000092806343 345859180 /nfs/dbraw/zinc/85/91/80/345859180.db2.gz NRJWBEUVMVYJHH-GOEBONIOSA-N 2 1 263.429 3.340 20 0 CGADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(C)ccc1OC ZINC000093403210 345877716 /nfs/dbraw/zinc/87/77/16/345877716.db2.gz DTVNMOAHZQMXLR-GDBMZVCRSA-N 2 1 278.440 3.385 20 0 CGADMP CCC[C@H](CC)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000125340055 346016788 /nfs/dbraw/zinc/01/67/88/346016788.db2.gz NRWNRLUZPDFWLR-XHSDSOJGSA-N 2 1 270.461 3.044 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]CCc2ccc(C(C)C)cc2)C1 ZINC000127377455 346031129 /nfs/dbraw/zinc/03/11/29/346031129.db2.gz WTJQDOQONNDRQG-QGZVFWFLSA-N 2 1 274.452 3.284 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000143543568 346114015 /nfs/dbraw/zinc/11/40/15/346114015.db2.gz UPGHHMOLNQTCPQ-UHFFFAOYSA-N 2 1 284.190 3.059 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000158141063 346163645 /nfs/dbraw/zinc/16/36/45/346163645.db2.gz PLDOAJXNIRJYAN-LRDDRELGSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000158141063 346163650 /nfs/dbraw/zinc/16/36/50/346163650.db2.gz PLDOAJXNIRJYAN-LRDDRELGSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000584766831 346713171 /nfs/dbraw/zinc/71/31/71/346713171.db2.gz FBEJYFPSMMKGFI-DLBZAZTESA-N 2 1 287.382 3.209 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000584766831 346713175 /nfs/dbraw/zinc/71/31/75/346713175.db2.gz FBEJYFPSMMKGFI-DLBZAZTESA-N 2 1 287.382 3.209 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000351775605 219203563 /nfs/dbraw/zinc/20/35/63/219203563.db2.gz QVWNEUZAHYGYHK-OAHLLOKOSA-N 2 1 282.472 3.140 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000594784341 347216602 /nfs/dbraw/zinc/21/66/02/347216602.db2.gz FJCFSFGIGFRIKF-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000123671964 535065140 /nfs/dbraw/zinc/06/51/40/535065140.db2.gz NGULGRVINLGUNO-XHDPSFHLSA-N 2 1 270.367 3.331 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000123671964 535065144 /nfs/dbraw/zinc/06/51/44/535065144.db2.gz NGULGRVINLGUNO-XHDPSFHLSA-N 2 1 270.367 3.331 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120474 349976872 /nfs/dbraw/zinc/97/68/72/349976872.db2.gz ZYGPQFPGDXDGKX-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624121233 349978658 /nfs/dbraw/zinc/97/86/58/349978658.db2.gz QPPGBFXBJJTYLV-FZMZJTMJSA-N 2 1 281.469 3.142 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122158 349979883 /nfs/dbraw/zinc/97/98/83/349979883.db2.gz KZERSNZLOBFSHA-OLZOCXBDSA-N 2 1 282.453 3.139 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122158 349979884 /nfs/dbraw/zinc/97/98/84/349979884.db2.gz KZERSNZLOBFSHA-OLZOCXBDSA-N 2 1 282.453 3.139 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120839 349978490 /nfs/dbraw/zinc/97/84/90/349978490.db2.gz ICPCGCTWZYLJJO-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000624123676 349983212 /nfs/dbraw/zinc/98/32/12/349983212.db2.gz QGVYCONKEWBGDA-BZUAXINKSA-N 2 1 270.436 3.226 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000339409113 215151808 /nfs/dbraw/zinc/15/18/08/215151808.db2.gz XAMZEDMPDJTHMF-KRWDZBQOSA-N 2 1 278.440 3.063 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000339509312 215219771 /nfs/dbraw/zinc/21/97/71/215219771.db2.gz JNXAOWVHQWQQPN-RDJZCZTQSA-N 2 1 281.403 3.041 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC1 ZINC000358197359 233078673 /nfs/dbraw/zinc/07/86/73/233078673.db2.gz WZOWMKDADNRWRQ-WBVHZDCISA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC1 ZINC000358197359 233078675 /nfs/dbraw/zinc/07/86/75/233078675.db2.gz WZOWMKDADNRWRQ-WBVHZDCISA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)=CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000090756108 180036519 /nfs/dbraw/zinc/03/65/19/180036519.db2.gz AGAHAABCYCTBFN-UHFFFAOYSA-N 2 1 258.409 3.207 20 0 CGADMP Fc1ccc(CC[N@@H+](CCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000359211516 233279242 /nfs/dbraw/zinc/27/92/42/233279242.db2.gz CWWQTWRXMMOWQX-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1ccc([C@@H](C)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000628140816 350408608 /nfs/dbraw/zinc/40/86/08/350408608.db2.gz YYLTZJZGGYMSDY-DLBZAZTESA-N 2 1 274.452 3.372 20 0 CGADMP Cc1ccc([C@@H](C)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000628140816 350408611 /nfs/dbraw/zinc/40/86/11/350408611.db2.gz YYLTZJZGGYMSDY-DLBZAZTESA-N 2 1 274.452 3.372 20 0 CGADMP Cc1ccc([C@@H](C)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000628140816 350408614 /nfs/dbraw/zinc/40/86/14/350408614.db2.gz YYLTZJZGGYMSDY-DLBZAZTESA-N 2 1 274.452 3.372 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000628183131 350427429 /nfs/dbraw/zinc/42/74/29/350427429.db2.gz RONCNSXGLCOIRE-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628229735 350451282 /nfs/dbraw/zinc/45/12/82/350451282.db2.gz GUOCFZSYPZNLQU-CVEARBPZSA-N 2 1 284.513 3.230 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCc3c(O)cccc3C2)cn1 ZINC000628463481 350546298 /nfs/dbraw/zinc/54/62/98/350546298.db2.gz HVSLTGWRAYFWAP-UHFFFAOYSA-N 2 1 282.387 3.087 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000629526830 350702434 /nfs/dbraw/zinc/70/24/34/350702434.db2.gz APIITRYDGWUWJJ-XDNAFOTISA-N 2 1 272.436 3.227 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000629527501 350702933 /nfs/dbraw/zinc/70/29/33/350702933.db2.gz XFJJVRWDBVGNJX-VVLHAWIVSA-N 2 1 258.409 3.053 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629550059 350711108 /nfs/dbraw/zinc/71/11/08/350711108.db2.gz XIPBXPLQSTWCBO-KKUMJFAQSA-N 2 1 264.800 3.187 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629560141 350714015 /nfs/dbraw/zinc/71/40/15/350714015.db2.gz DFLXKBRWLIWWTM-OLZOCXBDSA-N 2 1 278.362 3.026 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000629587217 350714710 /nfs/dbraw/zinc/71/47/10/350714710.db2.gz ZHMUUZIKAGYHKU-INIZCTEOSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1ccc3ccccc3c1)C2 ZINC000629585240 350714971 /nfs/dbraw/zinc/71/49/71/350714971.db2.gz OFTZNRGIKSXAGS-BGYRXZFFSA-N 2 1 294.442 3.314 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000629518407 350700464 /nfs/dbraw/zinc/70/04/64/350700464.db2.gz IWZYSOJWYUERPZ-GVDBMIGSSA-N 2 1 287.451 3.073 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629671086 350733927 /nfs/dbraw/zinc/73/39/27/350733927.db2.gz XKLJYTTUEHWNLR-ZDUSSCGKSA-N 2 1 252.789 3.044 20 0 CGADMP Cc1[nH+]cc(-c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)n1C ZINC000630052318 350802170 /nfs/dbraw/zinc/80/21/70/350802170.db2.gz VLJAWNRQQGWSBH-ZDUSSCGKSA-N 2 1 269.392 3.380 20 0 CGADMP Cc1[nH+]cc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)n1C ZINC000630052318 350802171 /nfs/dbraw/zinc/80/21/71/350802171.db2.gz VLJAWNRQQGWSBH-ZDUSSCGKSA-N 2 1 269.392 3.380 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000630557119 350853117 /nfs/dbraw/zinc/85/31/17/350853117.db2.gz HDSLECSINXFUKT-ONGXEEELSA-N 2 1 295.308 3.180 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1oc2ccccc2c1Cl ZINC000631056189 350939015 /nfs/dbraw/zinc/93/90/15/350939015.db2.gz FQTINKNXPABULT-UHFFFAOYSA-N 2 1 289.766 3.381 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccc(C(F)F)nc1)[NH+]1CCCCC1 ZINC000631112626 350958087 /nfs/dbraw/zinc/95/80/87/350958087.db2.gz WLDDIDYRQZDQLF-CYBMUJFWSA-N 2 1 297.393 3.373 20 0 CGADMP CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631668534 351113775 /nfs/dbraw/zinc/11/37/75/351113775.db2.gz YPKGQJYLYKJEOK-HLLBOEOZSA-N 2 1 260.425 3.143 20 0 CGADMP CCC(C)(C)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000631683493 351118355 /nfs/dbraw/zinc/11/83/55/351118355.db2.gz LHGCYNQOSYSVTN-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(OC)c1OC ZINC000631575487 351073333 /nfs/dbraw/zinc/07/33/33/351073333.db2.gz GEFYRKMFJBVANI-ZFWWWQNUSA-N 2 1 294.439 3.085 20 0 CGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000631579371 351074903 /nfs/dbraw/zinc/07/49/03/351074903.db2.gz FIRGYBLBQRPTJG-CVEARBPZSA-N 2 1 299.462 3.420 20 0 CGADMP c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CCC2 ZINC000631586263 351079711 /nfs/dbraw/zinc/07/97/11/351079711.db2.gz XOBJGDTYRCKDOI-IBGZPJMESA-N 2 1 299.462 3.456 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000631861329 351151174 /nfs/dbraw/zinc/15/11/74/351151174.db2.gz ZCYPJIRGIPZRIO-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000631861329 351151179 /nfs/dbraw/zinc/15/11/79/351151179.db2.gz ZCYPJIRGIPZRIO-BXUZGUMPSA-N 2 1 286.341 3.060 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000634678409 351563727 /nfs/dbraw/zinc/56/37/27/351563727.db2.gz SBYAUSFKCSGTNR-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339846708 215363553 /nfs/dbraw/zinc/36/35/53/215363553.db2.gz RWHJIQVZPJDBNC-SFHVURJKSA-N 2 1 272.436 3.159 20 0 CGADMP CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122358173 187028525 /nfs/dbraw/zinc/02/85/25/187028525.db2.gz NVPSLNIIHJZUKM-KGLIPLIRSA-N 2 1 287.407 3.256 20 0 CGADMP CC(C)[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000122767926 187050564 /nfs/dbraw/zinc/05/05/64/187050564.db2.gz VPZQOXKFSQBACP-OAHLLOKOSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000122767926 187050565 /nfs/dbraw/zinc/05/05/65/187050565.db2.gz VPZQOXKFSQBACP-OAHLLOKOSA-N 2 1 260.425 3.069 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000122782708 187051119 /nfs/dbraw/zinc/05/11/19/187051119.db2.gz CKADZIAHNRZWTG-NUJGCVRESA-N 2 1 290.451 3.082 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123020483 187066517 /nfs/dbraw/zinc/06/65/17/187066517.db2.gz KYOHKCJEGPJRKU-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123020483 187066518 /nfs/dbraw/zinc/06/65/18/187066518.db2.gz KYOHKCJEGPJRKU-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123020483 187066519 /nfs/dbraw/zinc/06/65/19/187066519.db2.gz KYOHKCJEGPJRKU-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123020483 187066520 /nfs/dbraw/zinc/06/65/20/187066520.db2.gz KYOHKCJEGPJRKU-IAGOWNOFSA-N 2 1 290.451 3.178 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccccc2)CC[N@@H+]1C ZINC000123681880 187104041 /nfs/dbraw/zinc/10/40/41/187104041.db2.gz JSWTZKZHXDGYTI-GJZGRUSLSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccccc2)CC[N@H+]1C ZINC000123681880 187104042 /nfs/dbraw/zinc/10/40/42/187104042.db2.gz JSWTZKZHXDGYTI-GJZGRUSLSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCSc2ccccc2)CC[NH+]1C ZINC000123681880 187104043 /nfs/dbraw/zinc/10/40/43/187104043.db2.gz JSWTZKZHXDGYTI-GJZGRUSLSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCSc2ccccc2)CC[NH+]1C ZINC000123681880 187104044 /nfs/dbraw/zinc/10/40/44/187104044.db2.gz JSWTZKZHXDGYTI-GJZGRUSLSA-N 2 1 278.465 3.193 20 0 CGADMP Fc1cc2cccnc2c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363890565 234006806 /nfs/dbraw/zinc/00/68/06/234006806.db2.gz QGLZVWUHOHDJQD-IAGOWNOFSA-N 2 1 299.393 3.090 20 0 CGADMP Fc1cc2cccnc2c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000363890565 234006811 /nfs/dbraw/zinc/00/68/11/234006811.db2.gz QGLZVWUHOHDJQD-IAGOWNOFSA-N 2 1 299.393 3.090 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292050549 198146296 /nfs/dbraw/zinc/14/62/96/198146296.db2.gz BNHXYZYNLZSIPU-IRXDYDNUSA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292050549 198146298 /nfs/dbraw/zinc/14/62/98/198146298.db2.gz BNHXYZYNLZSIPU-IRXDYDNUSA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292050549 198146299 /nfs/dbraw/zinc/14/62/99/198146299.db2.gz BNHXYZYNLZSIPU-IRXDYDNUSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCc3ccccc3)C2)C1 ZINC000292126342 198173281 /nfs/dbraw/zinc/17/32/81/198173281.db2.gz KSIKJMLBVDJNAQ-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCc3ccccc3)C2)C1 ZINC000292126342 198173282 /nfs/dbraw/zinc/17/32/82/198173282.db2.gz KSIKJMLBVDJNAQ-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCc3ccccc3)C2)C1 ZINC000292126342 198173284 /nfs/dbraw/zinc/17/32/84/198173284.db2.gz KSIKJMLBVDJNAQ-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP Cc1cscc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367613444 234232532 /nfs/dbraw/zinc/23/25/32/234232532.db2.gz COOYERNALZIKMO-KFWWJZLASA-N 2 1 264.438 3.019 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000367527106 234223856 /nfs/dbraw/zinc/22/38/56/234223856.db2.gz YKIGCDWLLBUIHD-AJNROWNDSA-N 2 1 292.373 3.194 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292256962 198220657 /nfs/dbraw/zinc/22/06/57/198220657.db2.gz YECHHHWMKNBCDL-DLBZAZTESA-N 2 1 258.409 3.165 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292256962 198220659 /nfs/dbraw/zinc/22/06/59/198220659.db2.gz YECHHHWMKNBCDL-DLBZAZTESA-N 2 1 258.409 3.165 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292256962 198220661 /nfs/dbraw/zinc/22/06/61/198220661.db2.gz YECHHHWMKNBCDL-DLBZAZTESA-N 2 1 258.409 3.165 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000367983805 234267877 /nfs/dbraw/zinc/26/78/77/234267877.db2.gz QICXVYKPHZIVFC-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000367983805 234267880 /nfs/dbraw/zinc/26/78/80/234267880.db2.gz QICXVYKPHZIVFC-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C2CC(OC(C)C)C2)CC1 ZINC000459311085 535216099 /nfs/dbraw/zinc/21/60/99/535216099.db2.gz UZGQGROYBXLCPT-UHFFFAOYSA-N 2 1 296.499 3.386 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158500873 188378886 /nfs/dbraw/zinc/37/88/86/188378886.db2.gz WDPKRDACPDKNDM-WMZOPIPTSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158500873 188378888 /nfs/dbraw/zinc/37/88/88/188378888.db2.gz WDPKRDACPDKNDM-WMZOPIPTSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158500873 188378889 /nfs/dbraw/zinc/37/88/89/188378889.db2.gz WDPKRDACPDKNDM-WMZOPIPTSA-N 2 1 295.430 3.151 20 0 CGADMP COCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000161724025 188542349 /nfs/dbraw/zinc/54/23/49/188542349.db2.gz YXEQOPQVXACUMX-OAHLLOKOSA-N 2 1 278.440 3.041 20 0 CGADMP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000411279359 235042476 /nfs/dbraw/zinc/04/24/76/235042476.db2.gz BVSSYLUELYKEES-FHLIZLRMSA-N 2 1 288.410 3.099 20 0 CGADMP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000411279359 235042480 /nfs/dbraw/zinc/04/24/80/235042480.db2.gz BVSSYLUELYKEES-FHLIZLRMSA-N 2 1 288.410 3.099 20 0 CGADMP CC(C)C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccn1 ZINC000271874996 191382682 /nfs/dbraw/zinc/38/26/82/191382682.db2.gz NSCGFSPVWVDDTC-KRWDZBQOSA-N 2 1 273.424 3.020 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271858673 191371864 /nfs/dbraw/zinc/37/18/64/191371864.db2.gz JWRSENZVPFUWHB-CYBMUJFWSA-N 2 1 278.827 3.123 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000414181765 235356405 /nfs/dbraw/zinc/35/64/05/235356405.db2.gz MVJNRUZJLBGETR-CABCVRRESA-N 2 1 288.435 3.099 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000414189109 235359003 /nfs/dbraw/zinc/35/90/03/235359003.db2.gz RAGHRNAACSLJIT-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000414189102 235359333 /nfs/dbraw/zinc/35/93/33/235359333.db2.gz RAGHRNAACSLJIT-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414194237 235360961 /nfs/dbraw/zinc/36/09/61/235360961.db2.gz UNPQVBQVPWEJFR-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414173499 235353422 /nfs/dbraw/zinc/35/34/22/235353422.db2.gz GHKBREHXWMUPSN-YOEHRIQHSA-N 2 1 288.435 3.004 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414173488 235353570 /nfs/dbraw/zinc/35/35/70/235353570.db2.gz GHKBREHXWMUPSN-PBHICJAKSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H](C[NH3+])[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414938422 235498184 /nfs/dbraw/zinc/49/81/84/235498184.db2.gz YMFOAMZIZRPERQ-SNVBAGLBSA-N 2 1 275.223 3.253 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000293770831 198766800 /nfs/dbraw/zinc/76/68/00/198766800.db2.gz SEKYREFMTDWEEG-ODVANORSSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000293770831 198766801 /nfs/dbraw/zinc/76/68/01/198766801.db2.gz SEKYREFMTDWEEG-ODVANORSSA-N 2 1 276.399 3.144 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC000106410108 138354212 /nfs/dbraw/zinc/35/42/12/138354212.db2.gz ARWDMTYILSNWLF-UHFFFAOYSA-N 2 1 278.415 3.488 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868765 138356014 /nfs/dbraw/zinc/35/60/14/138356014.db2.gz LHIDREUVEZNFMW-LSDHHAIUSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868765 138356015 /nfs/dbraw/zinc/35/60/15/138356015.db2.gz LHIDREUVEZNFMW-LSDHHAIUSA-N 2 1 298.352 3.422 20 0 CGADMP CSc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000123694041 138369361 /nfs/dbraw/zinc/36/93/61/138369361.db2.gz JSKLVJSYHKOHQQ-HNNXBMFYSA-N 2 1 266.454 3.214 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1cccc(F)c1)C1CC1 ZINC000124964154 138379375 /nfs/dbraw/zinc/37/93/75/138379375.db2.gz YJNFDKVYLNZXIV-INIZCTEOSA-N 2 1 276.399 3.274 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccc(F)c1)C1CC1 ZINC000124964154 138379376 /nfs/dbraw/zinc/37/93/76/138379376.db2.gz YJNFDKVYLNZXIV-INIZCTEOSA-N 2 1 276.399 3.274 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000124964154 138379377 /nfs/dbraw/zinc/37/93/77/138379377.db2.gz YJNFDKVYLNZXIV-INIZCTEOSA-N 2 1 276.399 3.274 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000124964154 138379378 /nfs/dbraw/zinc/37/93/78/138379378.db2.gz YJNFDKVYLNZXIV-INIZCTEOSA-N 2 1 276.399 3.274 20 0 CGADMP FC(F)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127280407 138388646 /nfs/dbraw/zinc/38/86/46/138388646.db2.gz UPJYTBMWEXYXFA-ZIAGYGMSSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127280407 138388647 /nfs/dbraw/zinc/38/86/47/138388647.db2.gz UPJYTBMWEXYXFA-ZIAGYGMSSA-N 2 1 296.361 3.004 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000128465272 138393741 /nfs/dbraw/zinc/39/37/41/138393741.db2.gz AGNZECFVJLWPCT-INIZCTEOSA-N 2 1 287.407 3.147 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000128465272 138393742 /nfs/dbraw/zinc/39/37/42/138393742.db2.gz AGNZECFVJLWPCT-INIZCTEOSA-N 2 1 287.407 3.147 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Cl)ccc1Cl ZINC000423224539 236001133 /nfs/dbraw/zinc/00/11/33/236001133.db2.gz CJKOIAJEEDYNED-DTWKUNHWSA-N 2 1 261.196 3.381 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423277657 236019708 /nfs/dbraw/zinc/01/97/08/236019708.db2.gz PQHOXVSHEBLJJY-CMPLNLGQSA-N 2 1 283.485 3.383 20 0 CGADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2nccs2)cc1 ZINC000423294599 236026907 /nfs/dbraw/zinc/02/69/07/236026907.db2.gz UYEZHGPNQVJLRO-GHMZBOCLSA-N 2 1 261.394 3.014 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423333404 236041905 /nfs/dbraw/zinc/04/19/05/236041905.db2.gz RTKUSROQYKYBHV-BXUZGUMPSA-N 2 1 252.377 3.240 20 0 CGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423369790 236052658 /nfs/dbraw/zinc/05/26/58/236052658.db2.gz OQMMKEWWCYWVKJ-UONOGXRCSA-N 2 1 284.403 3.360 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423401536 236064002 /nfs/dbraw/zinc/06/40/02/236064002.db2.gz QZQJXOQIZBARGI-NJZAAPMLSA-N 2 1 266.816 3.303 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)no1 ZINC000423503235 236088350 /nfs/dbraw/zinc/08/83/50/236088350.db2.gz FXABNCDNWPCIDY-HIFRSBDPSA-N 2 1 273.380 3.114 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534179 236094495 /nfs/dbraw/zinc/09/44/95/236094495.db2.gz VJPVTMCKRGJGMJ-LSTHTHJFSA-N 2 1 294.442 3.353 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1sccc1Cl)CC[NH2+]CC2 ZINC000424301609 236144184 /nfs/dbraw/zinc/14/41/84/236144184.db2.gz XTZJTIZLSIROLK-NSHDSACASA-N 2 1 284.856 3.366 20 0 CGADMP C[C@H]([NH2+][C@H]1CC12CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424326276 236150514 /nfs/dbraw/zinc/15/05/14/236150514.db2.gz OTWTWZAYODPTSN-UAGQMJEPSA-N 2 1 270.420 3.039 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000424335634 236151897 /nfs/dbraw/zinc/15/18/97/236151897.db2.gz ZZANYUUWVVCSPF-MLGOLLRUSA-N 2 1 267.376 3.384 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)CC[N@H+]1C ZINC000294509670 199067389 /nfs/dbraw/zinc/06/73/89/199067389.db2.gz YQRYGBYPDMDPGI-OLMNPRSZSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1cc(F)cc(F)c1 ZINC000294875002 199226208 /nfs/dbraw/zinc/22/62/08/199226208.db2.gz QJZLFLRBIRQLPB-UONOGXRCSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875002 199226210 /nfs/dbraw/zinc/22/62/10/199226210.db2.gz QJZLFLRBIRQLPB-UONOGXRCSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875002 199226212 /nfs/dbraw/zinc/22/62/12/199226212.db2.gz QJZLFLRBIRQLPB-UONOGXRCSA-N 2 1 296.405 3.342 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@@H]1COc2ccccc21 ZINC000348776348 299300935 /nfs/dbraw/zinc/30/09/35/299300935.db2.gz PXYLSNBUASKQIP-UXLLHSPISA-N 2 1 288.435 3.015 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C1CC1 ZINC000177213967 189037035 /nfs/dbraw/zinc/03/70/35/189037035.db2.gz QTPFCVVBSAPOGR-CQSZACIVSA-N 2 1 260.425 3.415 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2ccccc2n1 ZINC000177945149 189081350 /nfs/dbraw/zinc/08/13/50/189081350.db2.gz DOHVNPBIOASQNP-HUUCEWRRSA-N 2 1 295.430 3.370 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2n1 ZINC000177945149 189081351 /nfs/dbraw/zinc/08/13/51/189081351.db2.gz DOHVNPBIOASQNP-HUUCEWRRSA-N 2 1 295.430 3.370 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000178697075 189138238 /nfs/dbraw/zinc/13/82/38/189138238.db2.gz XGUCLFQZQFWTNY-NEPJUHHUSA-N 2 1 293.361 3.457 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000178705333 189138876 /nfs/dbraw/zinc/13/88/76/189138876.db2.gz QGBUUWASKDSIIZ-OLZOCXBDSA-N 2 1 275.371 3.318 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000179678127 189212974 /nfs/dbraw/zinc/21/29/74/189212974.db2.gz VZYMNWLNAMRHCI-RYUDHWBXSA-N 2 1 293.361 3.457 20 0 CGADMP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000179598425 189206418 /nfs/dbraw/zinc/20/64/18/189206418.db2.gz CRBAXWVQYNIZKG-INIZCTEOSA-N 2 1 280.375 3.010 20 0 CGADMP Cn1cccc1[C@@H]1CCCN1Cc1cccc2nccn21 ZINC000179598425 189206419 /nfs/dbraw/zinc/20/64/19/189206419.db2.gz CRBAXWVQYNIZKG-INIZCTEOSA-N 2 1 280.375 3.010 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173922 189290043 /nfs/dbraw/zinc/29/00/43/189290043.db2.gz NYEXTTMYZKYNOU-GUTXKFCHSA-N 2 1 296.842 3.180 20 0 CGADMP Cc1cc[nH+]c(NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000301654596 201119409 /nfs/dbraw/zinc/11/94/09/201119409.db2.gz URYXNCBOTGWLIY-OAHLLOKOSA-N 2 1 261.413 3.314 20 0 CGADMP Cc1cc[nH+]c(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000301654596 201119412 /nfs/dbraw/zinc/11/94/12/201119412.db2.gz URYXNCBOTGWLIY-OAHLLOKOSA-N 2 1 261.413 3.314 20 0 CGADMP C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221342 189350651 /nfs/dbraw/zinc/35/06/51/189350651.db2.gz OIXZJRVKWZBNHW-NWDGAFQWSA-N 2 1 280.362 3.100 20 0 CGADMP COc1cccc2c(NC[C@@H]3CCC[N@H+](C)C3)cc(C)[nH+]c12 ZINC000301983617 201286652 /nfs/dbraw/zinc/28/66/52/201286652.db2.gz KISCOHVGUYHSKR-AWEZNQCLSA-N 2 1 299.418 3.306 20 0 CGADMP COc1cccc2c(NC[C@@H]3CCC[N@@H+](C)C3)cc(C)[nH+]c12 ZINC000301983617 201286654 /nfs/dbraw/zinc/28/66/54/201286654.db2.gz KISCOHVGUYHSKR-AWEZNQCLSA-N 2 1 299.418 3.306 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000449108843 239183737 /nfs/dbraw/zinc/18/37/37/239183737.db2.gz WFKQXNSCDBSZMM-FUHWJXTLSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000449131578 239196076 /nfs/dbraw/zinc/19/60/76/239196076.db2.gz NWGPXCPHSYNNFK-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000449180454 239227291 /nfs/dbraw/zinc/22/72/91/239227291.db2.gz ZJYXMIFJRCRULC-AYHJJNSGSA-N 2 1 272.436 3.142 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449379339 239366532 /nfs/dbraw/zinc/36/65/32/239366532.db2.gz SVXWXDDRCRCBPJ-KZNAEPCWSA-N 2 1 284.447 3.323 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2c1 ZINC000335631304 212345375 /nfs/dbraw/zinc/34/53/75/212345375.db2.gz AEGSJWJKCCXGOV-MSOLQXFVSA-N 2 1 295.430 3.056 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451150879 240231460 /nfs/dbraw/zinc/23/14/60/240231460.db2.gz XROULTWGOWTOAF-LOWVWBTDSA-N 2 1 289.345 3.243 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451150879 240231466 /nfs/dbraw/zinc/23/14/66/240231466.db2.gz XROULTWGOWTOAF-LOWVWBTDSA-N 2 1 289.345 3.243 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275357811 193009446 /nfs/dbraw/zinc/00/94/46/193009446.db2.gz APKUDYKZFOQLOV-AEFFLSMTSA-N 2 1 297.446 3.365 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275632489 193091832 /nfs/dbraw/zinc/09/18/32/193091832.db2.gz SMJMPHJBCTVNBV-DLBZAZTESA-N 2 1 283.419 3.056 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(C)C ZINC000121010107 370822781 /nfs/dbraw/zinc/82/27/81/370822781.db2.gz PXRUGUOVEHZJQS-ZACQAIPSSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000121243302 370844257 /nfs/dbraw/zinc/84/42/57/370844257.db2.gz SFRPXQJHXNGRJT-SOLBZPMBSA-N 2 1 299.462 3.350 20 0 CGADMP CC[C@@H]1C[C@@]1([NH2+]CCc1c[nH+]cn1C)c1cccc(C)c1 ZINC000459449968 242112474 /nfs/dbraw/zinc/11/24/74/242112474.db2.gz NRXYCJBABGFHGI-QAPCUYQASA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335543481 212242554 /nfs/dbraw/zinc/24/25/54/212242554.db2.gz LQBCEQUMGXCPCQ-CYBMUJFWSA-N 2 1 264.438 3.021 20 0 CGADMP CSc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459733449 242197143 /nfs/dbraw/zinc/19/71/43/242197143.db2.gz GNYIQXJMLWCVPY-GFCCVEGCSA-N 2 1 284.494 3.292 20 0 CGADMP C[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000459783467 242231462 /nfs/dbraw/zinc/23/14/62/242231462.db2.gz NHADIERZAVMMRM-WMZOPIPTSA-N 2 1 274.452 3.187 20 0 CGADMP CC(C)C(C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000459795508 242237013 /nfs/dbraw/zinc/23/70/13/242237013.db2.gz VMBLKIVSQQZEKH-OAHLLOKOSA-N 2 1 254.462 3.236 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000121505684 370867632 /nfs/dbraw/zinc/86/76/32/370867632.db2.gz KWCKNFHHWNFGEF-RDTXWAMCSA-N 2 1 283.419 3.495 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)[C@@H](C)C1 ZINC000477867580 243058630 /nfs/dbraw/zinc/05/86/30/243058630.db2.gz UDOREAPJZGWSDR-ULQDDVLXSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@H]1CC=CCC1 ZINC000479611530 243116146 /nfs/dbraw/zinc/11/61/46/243116146.db2.gz WUVUOQWASMVSBN-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCCC1 ZINC000089594450 296118914 /nfs/dbraw/zinc/11/89/14/296118914.db2.gz GVGIRXUTRYMGAM-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480662799 243159612 /nfs/dbraw/zinc/15/96/12/243159612.db2.gz WGKLZCCTXMXYMS-CXAGYDPISA-N 2 1 296.405 3.217 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000481991598 243212175 /nfs/dbraw/zinc/21/21/75/243212175.db2.gz MDECSVWPUZIRSE-KSWRQPAISA-N 2 1 266.473 3.379 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)C1 ZINC000481331010 243187475 /nfs/dbraw/zinc/18/74/75/243187475.db2.gz HBRNEAUDQBPLSU-CABCVRRESA-N 2 1 278.415 3.435 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000019232560 368745554 /nfs/dbraw/zinc/74/55/54/368745554.db2.gz JWEBZHUVLNADNC-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000021513342 368810478 /nfs/dbraw/zinc/81/04/78/368810478.db2.gz IAJNSFCJCVCRLM-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000019943202 368788200 /nfs/dbraw/zinc/78/82/00/368788200.db2.gz ITNBAVRQRGQIFZ-OAHLLOKOSA-N 2 1 278.440 3.386 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000034958908 368983056 /nfs/dbraw/zinc/98/30/56/368983056.db2.gz YHHWHCDHNCEDAZ-HNSVSWJLSA-N 2 1 258.409 3.271 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000036457445 369022481 /nfs/dbraw/zinc/02/24/81/369022481.db2.gz MDSZZENOSKADCH-HNNXBMFYSA-N 2 1 254.377 3.011 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908181 369036615 /nfs/dbraw/zinc/03/66/15/369036615.db2.gz IXDJTMHCCFPVMH-YRGRVCCFSA-N 2 1 298.377 3.106 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908181 369036617 /nfs/dbraw/zinc/03/66/17/369036617.db2.gz IXDJTMHCCFPVMH-YRGRVCCFSA-N 2 1 298.377 3.106 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000036908061 369036976 /nfs/dbraw/zinc/03/69/76/369036976.db2.gz PDYJGBLRGLWQFP-HBUWYVDXSA-N 2 1 285.435 3.029 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]CC3CCCC3)CC2)cc1 ZINC000037515626 369087732 /nfs/dbraw/zinc/08/77/32/369087732.db2.gz OWQOXEBURQVRKO-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000037644103 369093696 /nfs/dbraw/zinc/09/36/96/369093696.db2.gz XVLZMUZKQNEORO-BBRMVZONSA-N 2 1 264.388 3.208 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000037644387 369095760 /nfs/dbraw/zinc/09/57/60/369095760.db2.gz STHVYVSDQGZBRY-KLAILNCOSA-N 2 1 272.436 3.172 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649440 369097867 /nfs/dbraw/zinc/09/78/67/369097867.db2.gz ICBBUUQHUYBJLY-YJBOKZPZSA-N 2 1 272.436 3.458 20 0 CGADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532814 369253804 /nfs/dbraw/zinc/25/38/04/369253804.db2.gz ZMIIBXQPJZXDJZ-WBVHZDCISA-N 2 1 260.425 3.254 20 0 CGADMP CC[N@H+]1CCC[C@H]1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043532814 369253809 /nfs/dbraw/zinc/25/38/09/369253809.db2.gz ZMIIBXQPJZXDJZ-WBVHZDCISA-N 2 1 260.425 3.254 20 0 CGADMP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC[N@H+]2C1 ZINC000128112076 370959265 /nfs/dbraw/zinc/95/92/65/370959265.db2.gz CCDYGIJDJUPNKJ-GVDBMIGSSA-N 2 1 292.467 3.085 20 0 CGADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000129003992 370970238 /nfs/dbraw/zinc/97/02/38/370970238.db2.gz NPPFJKJICYEAAC-GFCCVEGCSA-N 2 1 282.790 3.053 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465512 369503592 /nfs/dbraw/zinc/50/35/92/369503592.db2.gz GFFYCZCOSUNEJB-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccncc2)c1 ZINC000065976584 369686740 /nfs/dbraw/zinc/68/67/40/369686740.db2.gz FCQWRWRKMOSTEP-UHFFFAOYSA-N 2 1 283.419 3.212 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1csc(Cl)c1 ZINC000276480749 193349208 /nfs/dbraw/zinc/34/92/08/193349208.db2.gz GCHUZXKOAQKZMH-JTQLQIEISA-N 2 1 270.829 3.314 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171590 369786635 /nfs/dbraw/zinc/78/66/35/369786635.db2.gz JGWYCJWEQKQYMO-GDBMZVCRSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000070171871 369786741 /nfs/dbraw/zinc/78/67/41/369786741.db2.gz RHOAZGPWTACJCW-KBXCAEBGSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000090720352 370064958 /nfs/dbraw/zinc/06/49/58/370064958.db2.gz PRGYVDJRBDYOTA-FZMZJTMJSA-N 2 1 297.240 3.021 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000090720585 370065277 /nfs/dbraw/zinc/06/52/77/370065277.db2.gz LODRILPDMIEKSC-NVXWUHKLSA-N 2 1 260.425 3.184 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339167 370167205 /nfs/dbraw/zinc/16/72/05/370167205.db2.gz JEEXAWGKNBSYKS-SUNKGSAMSA-N 2 1 284.350 3.018 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564034 370142927 /nfs/dbraw/zinc/14/29/27/370142927.db2.gz QOXKTCJNFIEJEV-KRWDZBQOSA-N 2 1 288.435 3.146 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564034 370142933 /nfs/dbraw/zinc/14/29/33/370142933.db2.gz QOXKTCJNFIEJEV-KRWDZBQOSA-N 2 1 288.435 3.146 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000104309672 370342340 /nfs/dbraw/zinc/34/23/40/370342340.db2.gz WIMVMQLJLIGHSR-NSHDSACASA-N 2 1 269.458 3.142 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000343981983 217004182 /nfs/dbraw/zinc/00/41/82/217004182.db2.gz KIHPJXVBOCFGSD-HUUCEWRRSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000343981983 217004181 /nfs/dbraw/zinc/00/41/81/217004181.db2.gz KIHPJXVBOCFGSD-HUUCEWRRSA-N 2 1 270.461 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105372 245107910 /nfs/dbraw/zinc/10/79/10/245107910.db2.gz QYCDXNHFWWAXMS-KGLIPLIRSA-N 2 1 296.405 3.217 20 0 CGADMP C[N@@H+](CCCOc1ccc(F)cc1)CC[C@@H]1CCC[NH+]1C ZINC000119064098 370640747 /nfs/dbraw/zinc/64/07/47/370640747.db2.gz UDFGIFQVWRAGHZ-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCCOc1ccc(F)cc1)CC[C@@H]1CCC[N@@H+]1C ZINC000119064098 370640751 /nfs/dbraw/zinc/64/07/51/370640751.db2.gz UDFGIFQVWRAGHZ-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCCOc1ccc(F)cc1)CC[C@@H]1CCC[N@H+]1C ZINC000119064098 370640757 /nfs/dbraw/zinc/64/07/57/370640757.db2.gz UDFGIFQVWRAGHZ-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000131913770 371138499 /nfs/dbraw/zinc/13/84/99/371138499.db2.gz MIHFQFWZRVYKMX-IRXDYDNUSA-N 2 1 252.361 3.229 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131503279 371112028 /nfs/dbraw/zinc/11/20/28/371112028.db2.gz FTFZUKQOOXQHFX-GRYCIOLGSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000132195124 371157745 /nfs/dbraw/zinc/15/77/45/371157745.db2.gz UJTWDDWHBVBEFG-JLZZUVOBSA-N 2 1 252.361 3.482 20 0 CGADMP Fc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134862807 371370338 /nfs/dbraw/zinc/37/03/38/371370338.db2.gz LMYWEFWGFFHLIC-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134862807 371370343 /nfs/dbraw/zinc/37/03/43/371370343.db2.gz LMYWEFWGFFHLIC-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134862807 371370345 /nfs/dbraw/zinc/37/03/45/371370345.db2.gz LMYWEFWGFFHLIC-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134862807 371370348 /nfs/dbraw/zinc/37/03/48/371370348.db2.gz LMYWEFWGFFHLIC-CRAIPNDOSA-N 2 1 288.410 3.274 20 0 CGADMP c1ccc2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000150759976 371536521 /nfs/dbraw/zinc/53/65/21/371536521.db2.gz RJSAFPOAMBIPFO-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP c1ccc2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000150759976 371536528 /nfs/dbraw/zinc/53/65/28/371536528.db2.gz RJSAFPOAMBIPFO-INIZCTEOSA-N 2 1 295.430 3.153 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(OC)c2)C1 ZINC000151102900 371568083 /nfs/dbraw/zinc/56/80/83/371568083.db2.gz PIWOBGAXGYRJTD-YJBOKZPZSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc(C)ccc2OC)C1 ZINC000151113423 371570185 /nfs/dbraw/zinc/57/01/85/371570185.db2.gz YLOKERBQQGDDAB-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000151113423 371570190 /nfs/dbraw/zinc/57/01/90/371570190.db2.gz YLOKERBQQGDDAB-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000151113423 371570200 /nfs/dbraw/zinc/57/02/00/371570200.db2.gz YLOKERBQQGDDAB-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000151961136 371658494 /nfs/dbraw/zinc/65/84/94/371658494.db2.gz DLRQWNDZNQIFMY-LLVKDONJSA-N 2 1 290.329 3.188 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000422562066 371749649 /nfs/dbraw/zinc/74/96/49/371749649.db2.gz PDZQPUGHNXMHAG-JHJVBQTASA-N 2 1 295.496 3.246 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000422562066 371749653 /nfs/dbraw/zinc/74/96/53/371749653.db2.gz PDZQPUGHNXMHAG-JHJVBQTASA-N 2 1 295.496 3.246 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(C(C)(C)C)s2)C[C@@H]1C[NH3+] ZINC000422562064 371750012 /nfs/dbraw/zinc/75/00/12/371750012.db2.gz PDZQPUGHNXMHAG-AGIUHOORSA-N 2 1 295.496 3.246 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(C(C)(C)C)s2)C[C@@H]1C[NH3+] ZINC000422562064 371750018 /nfs/dbraw/zinc/75/00/18/371750018.db2.gz PDZQPUGHNXMHAG-AGIUHOORSA-N 2 1 295.496 3.246 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1C[NH3+] ZINC000422565746 371751305 /nfs/dbraw/zinc/75/13/05/371751305.db2.gz ZYUHKNMVWXTUHT-BZPMIXESSA-N 2 1 298.377 3.093 20 0 CGADMP FC(F)(F)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422706292 371762408 /nfs/dbraw/zinc/76/24/08/371762408.db2.gz DURRHJJMUXQCJO-ZIAGYGMSSA-N 2 1 286.341 3.412 20 0 CGADMP C[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422713884 371766388 /nfs/dbraw/zinc/76/63/88/371766388.db2.gz KKLPKUWNFZOZSM-YGRLFVJLSA-N 2 1 287.234 3.266 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737274 371775191 /nfs/dbraw/zinc/77/51/91/371775191.db2.gz ZLWFPMOCNMVLMS-OALUTQOASA-N 2 1 296.414 3.235 20 0 CGADMP c1ccc(Oc2ccccc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422779504 371801557 /nfs/dbraw/zinc/80/15/57/371801557.db2.gz JDPAXYIJAXTKRK-UHFFFAOYSA-N 2 1 282.387 3.321 20 0 CGADMP CC[C@H]1C[C@]1([NH2+]CCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000337379981 214040966 /nfs/dbraw/zinc/04/09/66/214040966.db2.gz CORAQMAKSSZPOO-FUHWJXTLSA-N 2 1 283.419 3.415 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422802223 371819024 /nfs/dbraw/zinc/81/90/24/371819024.db2.gz CZKSSWGDNWOGIK-UONOGXRCSA-N 2 1 282.428 3.297 20 0 CGADMP CCCCCOc1cc(C)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422872102 371846762 /nfs/dbraw/zinc/84/67/62/371846762.db2.gz FRMQTKQGTPBWBC-OAHLLOKOSA-N 2 1 290.451 3.262 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OC(C)C)c1 ZINC000422873744 371848322 /nfs/dbraw/zinc/84/83/22/371848322.db2.gz LZFLYPXAUMDCTL-MRXNPFEDSA-N 2 1 276.424 3.014 20 0 CGADMP C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(F)cc1 ZINC000289895233 371848865 /nfs/dbraw/zinc/84/88/65/371848865.db2.gz WPKMAJQMHULJLX-BXEVVDMOSA-N 2 1 290.426 3.486 20 0 CGADMP C[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000289895233 371848874 /nfs/dbraw/zinc/84/88/74/371848874.db2.gz WPKMAJQMHULJLX-BXEVVDMOSA-N 2 1 290.426 3.486 20 0 CGADMP C[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000289895233 371848883 /nfs/dbraw/zinc/84/88/83/371848883.db2.gz WPKMAJQMHULJLX-BXEVVDMOSA-N 2 1 290.426 3.486 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422883566 371853966 /nfs/dbraw/zinc/85/39/66/371853966.db2.gz VEBPVOTZZPFFEE-KXBFYZLASA-N 2 1 298.430 3.133 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3occc3c2)CC1 ZINC000289929584 371854649 /nfs/dbraw/zinc/85/46/49/371854649.db2.gz YXCKCYDXSNSIJR-MRXNPFEDSA-N 2 1 272.392 3.349 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC000289929584 371854655 /nfs/dbraw/zinc/85/46/55/371854655.db2.gz YXCKCYDXSNSIJR-MRXNPFEDSA-N 2 1 272.392 3.349 20 0 CGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422904566 371861571 /nfs/dbraw/zinc/86/15/71/371861571.db2.gz GYKXPYSPSJRNGM-FUHWJXTLSA-N 3 1 295.515 3.138 20 0 CGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000422904566 371861578 /nfs/dbraw/zinc/86/15/78/371861578.db2.gz GYKXPYSPSJRNGM-FUHWJXTLSA-N 2 1 295.515 3.138 20 0 CGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422900586 371861915 /nfs/dbraw/zinc/86/19/15/371861915.db2.gz JRXQXYSIYUKTRQ-NRSFXHEJSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422919931 371869640 /nfs/dbraw/zinc/86/96/40/371869640.db2.gz LAEJKGVHLJCSCJ-OLMNPRSZSA-N 2 1 287.451 3.353 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)ccc1F ZINC000422918939 371869779 /nfs/dbraw/zinc/86/97/79/371869779.db2.gz JBCWFOMGLZEIHM-WFASDCNBSA-N 2 1 268.351 3.148 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422935187 371879510 /nfs/dbraw/zinc/87/95/10/371879510.db2.gz DHZHMABSOVOEGY-HNNXBMFYSA-N 2 1 299.418 3.231 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422940392 371881182 /nfs/dbraw/zinc/88/11/82/371881182.db2.gz STBVBHKBXSUYDN-DOMZBBRYSA-N 2 1 274.433 3.031 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422940400 371881661 /nfs/dbraw/zinc/88/16/61/371881661.db2.gz STBVBHKBXSUYDN-WFASDCNBSA-N 2 1 274.433 3.031 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422944421 371883384 /nfs/dbraw/zinc/88/33/84/371883384.db2.gz SAVDLBCEIVZBBG-AWEZNQCLSA-N 2 1 269.392 3.004 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423059580 371939666 /nfs/dbraw/zinc/93/96/66/371939666.db2.gz FYGLARLUJYRITL-BSWAZPDLSA-N 2 1 258.409 3.258 20 0 CGADMP C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422968495 371895153 /nfs/dbraw/zinc/89/51/53/371895153.db2.gz RGYJAQSRNQAYGC-LYAPFXNSSA-N 2 1 258.409 3.053 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCCO)c2ccccc2)c2ccccc21 ZINC000422980053 371899722 /nfs/dbraw/zinc/89/97/22/371899722.db2.gz OPEYXKWVEQAKLH-GUDVDZBRSA-N 2 1 296.414 3.235 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1coc2ccccc12 ZINC000422979790 371899970 /nfs/dbraw/zinc/89/99/70/371899970.db2.gz KGIBSUFRMGFJRF-KSSFIOAISA-N 2 1 294.398 3.481 20 0 CGADMP COC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290142552 371915117 /nfs/dbraw/zinc/91/51/17/371915117.db2.gz CFFFHQMSDRESLF-MAZHCROVSA-N 2 1 296.842 3.100 20 0 CGADMP COC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290142552 371915122 /nfs/dbraw/zinc/91/51/22/371915122.db2.gz CFFFHQMSDRESLF-MAZHCROVSA-N 2 1 296.842 3.100 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000290172529 371920889 /nfs/dbraw/zinc/92/08/89/371920889.db2.gz MVBVAYUYDQBCQM-SUMWQHHRSA-N 2 1 287.407 3.256 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000155412873 371926899 /nfs/dbraw/zinc/92/68/99/371926899.db2.gz FXRNTIKCLMBIBM-CJNGLKHVSA-N 2 1 292.854 3.301 20 0 CGADMP Cc1ccncc1CCC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000290184993 371927797 /nfs/dbraw/zinc/92/77/97/371927797.db2.gz ZMNYKAAIBMBNFI-KGLIPLIRSA-N 2 1 264.438 3.148 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(F)(F)F ZINC000423046422 371931679 /nfs/dbraw/zinc/93/16/79/371931679.db2.gz DPCBNDFGWODYNV-MRVWCRGKSA-N 2 1 286.341 3.268 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423098815 371963847 /nfs/dbraw/zinc/96/38/47/371963847.db2.gz LODZUQACUGUYGY-YFHUEUNASA-N 2 1 272.436 3.361 20 0 CGADMP CC(C)C1([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423132006 371983405 /nfs/dbraw/zinc/98/34/05/371983405.db2.gz IPMRZEBMQOZMBX-HZPDHXFCSA-N 2 1 258.409 3.258 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290468399 371995509 /nfs/dbraw/zinc/99/55/09/371995509.db2.gz NIJQLDVXQFABHI-RKVPGOIHSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290468399 371995514 /nfs/dbraw/zinc/99/55/14/371995514.db2.gz NIJQLDVXQFABHI-RKVPGOIHSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000290468399 371995521 /nfs/dbraw/zinc/99/55/21/371995521.db2.gz NIJQLDVXQFABHI-RKVPGOIHSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000290468399 371995525 /nfs/dbraw/zinc/99/55/25/371995525.db2.gz NIJQLDVXQFABHI-RKVPGOIHSA-N 2 1 292.442 3.419 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3c[nH+]ccc3N)C2)c1 ZINC000423164904 371998512 /nfs/dbraw/zinc/99/85/12/371998512.db2.gz TYJDDEWOEPVVDK-QEJZJMRPSA-N 2 1 297.402 3.100 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423086758 371954597 /nfs/dbraw/zinc/95/45/97/371954597.db2.gz NYSUEPLUIWZKGQ-NEPJUHHUSA-N 2 1 276.355 3.301 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[NH3+])c1cccc(Br)c1 ZINC000423194307 372018945 /nfs/dbraw/zinc/01/89/45/372018945.db2.gz XRGYPOXVFCDMFL-CYBMUJFWSA-N 2 1 285.229 3.085 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423199350 372023130 /nfs/dbraw/zinc/02/31/30/372023130.db2.gz JWCUPODPGQUMAI-CQSZACIVSA-N 2 1 261.413 3.092 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C)c1cccc(Cl)c1F ZINC000423198519 372023456 /nfs/dbraw/zinc/02/34/56/372023456.db2.gz GJGZFDXERBGROB-GFCCVEGCSA-N 2 1 258.768 3.129 20 0 CGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[NH2+]C ZINC000423199863 372025554 /nfs/dbraw/zinc/02/55/54/372025554.db2.gz LAIDZRGEXNWBPS-GFCCVEGCSA-N 2 1 260.381 3.255 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290622257 372030227 /nfs/dbraw/zinc/03/02/27/372030227.db2.gz XIKUAJZYJOVYHJ-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290622257 372030232 /nfs/dbraw/zinc/03/02/32/372030232.db2.gz XIKUAJZYJOVYHJ-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290622257 372030238 /nfs/dbraw/zinc/03/02/38/372030238.db2.gz XIKUAJZYJOVYHJ-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290622257 372030242 /nfs/dbraw/zinc/03/02/42/372030242.db2.gz XIKUAJZYJOVYHJ-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000290639587 372032700 /nfs/dbraw/zinc/03/27/00/372032700.db2.gz YJTRKMUCUFXAJZ-OAHLLOKOSA-N 2 1 294.389 3.129 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCSCC(C)C)[C@H](C)C1 ZINC000157674964 372033106 /nfs/dbraw/zinc/03/31/06/372033106.db2.gz OCRRTHANUFOYRP-CVEARBPZSA-N 2 1 286.529 3.428 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCSCC(C)C)[C@H](C)C1 ZINC000157674964 372033107 /nfs/dbraw/zinc/03/31/07/372033107.db2.gz OCRRTHANUFOYRP-CVEARBPZSA-N 2 1 286.529 3.428 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSCC(C)C)[C@H](C)C1 ZINC000157674964 372033108 /nfs/dbraw/zinc/03/31/08/372033108.db2.gz OCRRTHANUFOYRP-CVEARBPZSA-N 2 1 286.529 3.428 20 0 CGADMP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423215453 372036621 /nfs/dbraw/zinc/03/66/21/372036621.db2.gz NYUJKGZBBQETQO-BPUTZDHNSA-N 2 1 278.827 3.003 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423259701 372044756 /nfs/dbraw/zinc/04/47/56/372044756.db2.gz FQEBDXVQUIJPLU-DGCLKSJQSA-N 2 1 266.454 3.261 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)c2ccccc21 ZINC000423275324 372045557 /nfs/dbraw/zinc/04/55/57/372045557.db2.gz LQJFRGSZZSUJEM-ULQDDVLXSA-N 2 1 258.409 3.198 20 0 CGADMP CC(C)[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423316941 372051121 /nfs/dbraw/zinc/05/11/21/372051121.db2.gz BSTPMHFWTFKAEU-MFKMUULPSA-N 2 1 274.330 3.339 20 0 CGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)c1 ZINC000423180505 372008925 /nfs/dbraw/zinc/00/89/25/372008925.db2.gz FASJHPNWUMQGEP-KBMXLJTQSA-N 2 1 278.827 3.318 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017179 372305120 /nfs/dbraw/zinc/30/51/20/372305120.db2.gz DTLAWBRJOGWURC-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017179 372305124 /nfs/dbraw/zinc/30/51/24/372305124.db2.gz DTLAWBRJOGWURC-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017179 372305129 /nfs/dbraw/zinc/30/51/29/372305129.db2.gz DTLAWBRJOGWURC-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000161526646 372332673 /nfs/dbraw/zinc/33/26/73/372332673.db2.gz LGSFDOVMFIEZFT-FUHWJXTLSA-N 2 1 290.451 3.084 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c[nH]c21 ZINC000161801183 372352754 /nfs/dbraw/zinc/35/27/54/372352754.db2.gz PRSCQZZWACLDMQ-RHSMWYFYSA-N 2 1 299.462 3.345 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000429517239 372372818 /nfs/dbraw/zinc/37/28/18/372372818.db2.gz MWVZNINVUSBWBH-ARFHVFGLSA-N 2 1 282.472 3.187 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CCC1 ZINC000429517239 372372826 /nfs/dbraw/zinc/37/28/26/372372826.db2.gz MWVZNINVUSBWBH-ARFHVFGLSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)CCn2ccnc2)cc1 ZINC000162226136 372382450 /nfs/dbraw/zinc/38/24/50/372382450.db2.gz HVAAFGJRECHJNR-UHFFFAOYSA-N 2 1 257.381 3.139 20 0 CGADMP C[NH2+]C1CC[NH+](CCSc2ccc(C)c(C)c2)CC1 ZINC000430947064 372408466 /nfs/dbraw/zinc/40/84/66/372408466.db2.gz CTIMLINLUKGLIH-UHFFFAOYSA-N 2 1 278.465 3.079 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(F)cc1F ZINC000163270165 372457025 /nfs/dbraw/zinc/45/70/25/372457025.db2.gz LXVIULBDDWQUFN-WBMJQRKESA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1F ZINC000163270165 372457031 /nfs/dbraw/zinc/45/70/31/372457031.db2.gz LXVIULBDDWQUFN-WBMJQRKESA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(F)cc1F ZINC000163270043 372457967 /nfs/dbraw/zinc/45/79/67/372457967.db2.gz LXVIULBDDWQUFN-BLLLJJGKSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1F ZINC000163270043 372457977 /nfs/dbraw/zinc/45/79/77/372457977.db2.gz LXVIULBDDWQUFN-BLLLJJGKSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000293716507 372458784 /nfs/dbraw/zinc/45/87/84/372458784.db2.gz MHFMGYAXEDYAKL-ZDUSSCGKSA-N 2 1 258.409 3.309 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163435151 372468763 /nfs/dbraw/zinc/46/87/63/372468763.db2.gz CSJIBBNSNCVVJZ-GXTWGEPZSA-N 2 1 272.392 3.158 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000165339763 372549687 /nfs/dbraw/zinc/54/96/87/372549687.db2.gz IOVVUUKFZVYZIB-IEBWSBKVSA-N 2 1 286.463 3.329 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432366668 372567049 /nfs/dbraw/zinc/56/70/49/372567049.db2.gz GHEWFIHPOGBCQE-KSZLIROESA-N 2 1 294.483 3.069 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1F ZINC000168755158 372619621 /nfs/dbraw/zinc/61/96/21/372619621.db2.gz OKGBQTQRQZIJMH-CXAGYDPISA-N 2 1 276.399 3.351 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000294468797 372656633 /nfs/dbraw/zinc/65/66/33/372656633.db2.gz VMJHDMYPKMJLLS-OAHLLOKOSA-N 2 1 264.438 3.416 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)no1 ZINC000353380355 220052050 /nfs/dbraw/zinc/05/20/50/220052050.db2.gz BBAGBBKERXNVPA-ZFWWWQNUSA-N 2 1 279.428 3.288 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435447484 372765403 /nfs/dbraw/zinc/76/54/03/372765403.db2.gz PJLWSUYEHAYTCC-SFHVURJKSA-N 2 1 295.430 3.323 20 0 CGADMP CC[N@H+](Cc1cnc(CC(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435386717 372755130 /nfs/dbraw/zinc/75/51/30/372755130.db2.gz VITCZZNDGURGJB-AWEZNQCLSA-N 2 1 295.496 3.306 20 0 CGADMP CC[N@@H+](Cc1cnc(CC(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435386717 372755137 /nfs/dbraw/zinc/75/51/37/372755137.db2.gz VITCZZNDGURGJB-AWEZNQCLSA-N 2 1 295.496 3.306 20 0 CGADMP CC[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435381308 372756614 /nfs/dbraw/zinc/75/66/14/372756614.db2.gz SOIIVTQSRNNAGZ-CQSZACIVSA-N 2 1 298.377 3.252 20 0 CGADMP CC[N@@H+](C/C=C/c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435392204 372758183 /nfs/dbraw/zinc/75/81/83/372758183.db2.gz VQYGIZWMCLCWBI-APHBUQMISA-N 2 1 294.389 3.442 20 0 CGADMP CC[N@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435618734 372786735 /nfs/dbraw/zinc/78/67/35/372786735.db2.gz RGVTXXYEACLXHY-INIZCTEOSA-N 2 1 299.418 3.306 20 0 CGADMP CC[N@@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435618734 372786740 /nfs/dbraw/zinc/78/67/40/372786740.db2.gz RGVTXXYEACLXHY-INIZCTEOSA-N 2 1 299.418 3.306 20 0 CGADMP CCCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435699021 372798156 /nfs/dbraw/zinc/79/81/56/372798156.db2.gz YBSVHBRIKWGSFP-HNNXBMFYSA-N 2 1 278.465 3.492 20 0 CGADMP Cc1ccsc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353500180 220121888 /nfs/dbraw/zinc/12/18/88/220121888.db2.gz WTVQLNBLNHFJGW-MCIONIFRSA-N 2 1 264.438 3.019 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1scnc1C ZINC000344817958 217321511 /nfs/dbraw/zinc/32/15/11/217321511.db2.gz KSEBLIYJMISEOC-HUUCEWRRSA-N 2 1 295.496 3.442 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCSc1ccc(Cl)cc1 ZINC000442757890 373073280 /nfs/dbraw/zinc/07/32/80/373073280.db2.gz NJISYDAKIGUJDP-NEPJUHHUSA-N 2 1 284.856 3.101 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000173360046 373131123 /nfs/dbraw/zinc/13/11/23/373131123.db2.gz YBTCOUPMYHLYDJ-BBWFWOEESA-N 2 1 290.451 3.227 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@](C)(O)CC)CC1)CC(C)C ZINC000444611966 373210706 /nfs/dbraw/zinc/21/07/06/373210706.db2.gz SSHSEBGIKPCSEN-GOSISDBHSA-N 2 1 298.515 3.227 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000173897812 373210712 /nfs/dbraw/zinc/21/07/12/373210712.db2.gz AZQXFGPSVJGZLJ-INIZCTEOSA-N 2 1 295.430 3.181 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000173897812 373210717 /nfs/dbraw/zinc/21/07/17/373210717.db2.gz AZQXFGPSVJGZLJ-INIZCTEOSA-N 2 1 295.430 3.181 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444202328 373175388 /nfs/dbraw/zinc/17/53/88/373175388.db2.gz DCORUKOJPQCQPH-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC000296557789 373175417 /nfs/dbraw/zinc/17/54/17/373175417.db2.gz UCJWONDRFKATTP-UKRRQHHQSA-N 2 1 296.480 3.208 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[N@H+]1C ZINC000297195819 373261523 /nfs/dbraw/zinc/26/15/23/373261523.db2.gz FRZMEGDAQSANGC-CJBNDPTMSA-N 2 1 294.389 3.415 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174315910 373291288 /nfs/dbraw/zinc/29/12/88/373291288.db2.gz GUBFQSNTIZARNP-NCOADZHNSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724166 373475534 /nfs/dbraw/zinc/47/55/34/373475534.db2.gz UIQIHGDWKZYYTG-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724166 373475546 /nfs/dbraw/zinc/47/55/46/373475546.db2.gz UIQIHGDWKZYYTG-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724166 373475561 /nfs/dbraw/zinc/47/55/61/373475561.db2.gz UIQIHGDWKZYYTG-DOTOQJQBSA-N 2 1 290.451 3.308 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000175709127 373506274 /nfs/dbraw/zinc/50/62/74/373506274.db2.gz AGPNXRJLWIRGJM-HZPDHXFCSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000175709127 373506284 /nfs/dbraw/zinc/50/62/84/373506284.db2.gz AGPNXRJLWIRGJM-HZPDHXFCSA-N 2 1 288.435 3.174 20 0 CGADMP CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175725257 373509879 /nfs/dbraw/zinc/50/98/79/373509879.db2.gz QLYGJKFYNIAIML-NVXWUHKLSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175725257 373509885 /nfs/dbraw/zinc/50/98/85/373509885.db2.gz QLYGJKFYNIAIML-NVXWUHKLSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000175725257 373509892 /nfs/dbraw/zinc/50/98/92/373509892.db2.gz QLYGJKFYNIAIML-NVXWUHKLSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175725257 373509898 /nfs/dbraw/zinc/50/98/98/373509898.db2.gz QLYGJKFYNIAIML-NVXWUHKLSA-N 2 1 290.451 3.247 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000300411997 373629100 /nfs/dbraw/zinc/62/91/00/373629100.db2.gz QYCIOMHYPJIESW-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000300411997 373629109 /nfs/dbraw/zinc/62/91/09/373629109.db2.gz QYCIOMHYPJIESW-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984728 373616439 /nfs/dbraw/zinc/61/64/39/373616439.db2.gz IBJXDJQTGZUZBO-IXDOHACOSA-N 2 1 292.467 3.085 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC000300138245 373619855 /nfs/dbraw/zinc/61/98/55/373619855.db2.gz KCIKUIJCQZRRSR-KLHDSHLOSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449188639 373670019 /nfs/dbraw/zinc/67/00/19/373670019.db2.gz SSXGUNIJZOSMDN-RYRKJORJSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374139 373678264 /nfs/dbraw/zinc/67/82/64/373678264.db2.gz KOSQRKMZNKXNTB-HRCADAONSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374139 373678271 /nfs/dbraw/zinc/67/82/71/373678271.db2.gz KOSQRKMZNKXNTB-HRCADAONSA-N 2 1 298.434 3.006 20 0 CGADMP CCOC[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979123 373732419 /nfs/dbraw/zinc/73/24/19/373732419.db2.gz ICVLSSFOMIOABQ-HNNXBMFYSA-N 2 1 278.440 3.041 20 0 CGADMP CCCC[C@@H](CC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178706386 373806222 /nfs/dbraw/zinc/80/62/22/373806222.db2.gz CDJMNKVMPJTNCG-DZGCQCFKSA-N 2 1 251.418 3.386 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178975463 373822769 /nfs/dbraw/zinc/82/27/69/373822769.db2.gz DMYXCRCIUIRUJR-GOSISDBHSA-N 2 1 274.452 3.248 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+]([C@@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000178628815 373799432 /nfs/dbraw/zinc/79/94/32/373799432.db2.gz VLLAHMGASOPADK-JCGIZDLHSA-N 2 1 288.410 3.229 20 0 CGADMP Cc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000302534756 373890953 /nfs/dbraw/zinc/89/09/53/373890953.db2.gz DPEPJHUFFDCODI-VNHYZAJKSA-N 2 1 261.413 3.168 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000179639932 373897785 /nfs/dbraw/zinc/89/77/85/373897785.db2.gz RLDKSUZSJIZYDZ-BBRMVZONSA-N 2 1 282.378 3.490 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000179639932 373897792 /nfs/dbraw/zinc/89/77/92/373897792.db2.gz RLDKSUZSJIZYDZ-BBRMVZONSA-N 2 1 282.378 3.490 20 0 CGADMP CCC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449736515 373862693 /nfs/dbraw/zinc/86/26/93/373862693.db2.gz VFLGWUWPQYFSTP-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP Cc1cc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000302595339 373902110 /nfs/dbraw/zinc/90/21/10/373902110.db2.gz XEZFMXFFYZFHDC-QGZVFWFLSA-N 2 1 295.430 3.491 20 0 CGADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000302604856 373904392 /nfs/dbraw/zinc/90/43/92/373904392.db2.gz ZKNCEBKBCRHATB-MAUKXSAKSA-N 2 1 281.403 3.465 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450458839 374144692 /nfs/dbraw/zinc/14/46/92/374144692.db2.gz YVXFDMSXKODQGX-KRWDZBQOSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450458839 374144699 /nfs/dbraw/zinc/14/46/99/374144699.db2.gz YVXFDMSXKODQGX-KRWDZBQOSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450458839 374144702 /nfs/dbraw/zinc/14/47/02/374144702.db2.gz YVXFDMSXKODQGX-KRWDZBQOSA-N 2 1 262.441 3.151 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]CCc1ccc(Cl)cc1 ZINC000308461511 374166462 /nfs/dbraw/zinc/16/64/62/374166462.db2.gz RSPRMXGRAFDUMT-UHFFFAOYSA-N 2 1 268.832 3.202 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000311236261 374236961 /nfs/dbraw/zinc/23/69/61/374236961.db2.gz WJSVOQPTKDAVTP-IJEWVQPXSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000311354231 374239821 /nfs/dbraw/zinc/23/98/21/374239821.db2.gz ACNXYTVMUJUJIS-WMLDXEAASA-N 2 1 264.457 3.275 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000315543307 374329712 /nfs/dbraw/zinc/32/97/12/374329712.db2.gz HTOMWKQABGLRCA-AWEZNQCLSA-N 2 1 297.324 3.475 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453058658 374363319 /nfs/dbraw/zinc/36/33/19/374363319.db2.gz PIFJAFUKVHQPLS-SQNIBIBYSA-N 2 1 270.420 3.182 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000183070232 374367677 /nfs/dbraw/zinc/36/76/77/374367677.db2.gz FGAFGBZLGGSOHZ-BZUAXINKSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(CCOC2CCCCCC2)C1 ZINC000081568373 541926740 /nfs/dbraw/zinc/92/67/40/541926740.db2.gz GPRRTEXSZZSYBF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOC2CCCCCC2)C1 ZINC000081568373 541926742 /nfs/dbraw/zinc/92/67/42/541926742.db2.gz GPRRTEXSZZSYBF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOC2CCCCCC2)C1 ZINC000081568373 541926745 /nfs/dbraw/zinc/92/67/45/541926745.db2.gz GPRRTEXSZZSYBF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC000081568373 541926746 /nfs/dbraw/zinc/92/67/46/541926746.db2.gz GPRRTEXSZZSYBF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000081568373 541926749 /nfs/dbraw/zinc/92/67/49/541926749.db2.gz GPRRTEXSZZSYBF-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000183070186 374368083 /nfs/dbraw/zinc/36/80/83/374368083.db2.gz FGAFGBZLGGSOHZ-OWCLPIDISA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000183366473 374406718 /nfs/dbraw/zinc/40/67/18/374406718.db2.gz BBAFFZZHANWJNI-VQIMIIECSA-N 2 1 286.463 3.424 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000183366473 374406725 /nfs/dbraw/zinc/40/67/25/374406725.db2.gz BBAFFZZHANWJNI-VQIMIIECSA-N 2 1 286.463 3.424 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000087778297 541944793 /nfs/dbraw/zinc/94/47/93/541944793.db2.gz SOBLIGOLBAHESG-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453380653 374466856 /nfs/dbraw/zinc/46/68/56/374466856.db2.gz BAHFZLNILWTXLK-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453380653 374466865 /nfs/dbraw/zinc/46/68/65/374466865.db2.gz BAHFZLNILWTXLK-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]1C ZINC000453420966 374474429 /nfs/dbraw/zinc/47/44/29/374474429.db2.gz ZZALIJPQRHXMGI-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(OC(C)C)CC2)[C@H](C)C1 ZINC000090771478 541964278 /nfs/dbraw/zinc/96/42/78/541964278.db2.gz BBZPAMSEHYFUCN-VXLLPVPCSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1[nH+]ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000334168945 374652259 /nfs/dbraw/zinc/65/22/59/374652259.db2.gz ADYZXVUJTZTWCR-UHFFFAOYSA-N 2 1 276.771 3.151 20 0 CGADMP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721274 374722309 /nfs/dbraw/zinc/72/23/09/374722309.db2.gz ZUNBCQPKLRFWCX-HUUCEWRRSA-N 2 1 250.430 3.195 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000334418153 374734052 /nfs/dbraw/zinc/73/40/52/374734052.db2.gz RNGYBYSUWUXOTK-UONOGXRCSA-N 2 1 274.399 3.228 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186319210 374831886 /nfs/dbraw/zinc/83/18/86/374831886.db2.gz ZDQUTVOXYJHTFY-DLBZAZTESA-N 2 1 293.455 3.155 20 0 CGADMP C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000186497307 374864146 /nfs/dbraw/zinc/86/41/46/374864146.db2.gz OMLVXDRTOVBBHV-PCLVQLBSSA-N 2 1 299.418 3.158 20 0 CGADMP c1[nH+]c(C2CC[NH+](CC3CCC3)CC2)n2c1CCCC2 ZINC000334581270 374881401 /nfs/dbraw/zinc/88/14/01/374881401.db2.gz JXCGXJIDTDZCEP-UHFFFAOYSA-N 2 1 273.424 3.199 20 0 CGADMP Cc1ccc2ncc(CN(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000334559176 374858853 /nfs/dbraw/zinc/85/88/53/374858853.db2.gz ADYWGGMRGPCGQK-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)cc2c1 ZINC000334559176 374858858 /nfs/dbraw/zinc/85/88/58/374858858.db2.gz ADYWGGMRGPCGQK-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)cc2c1 ZINC000334559176 374858862 /nfs/dbraw/zinc/85/88/62/374858862.db2.gz ADYWGGMRGPCGQK-MAUKXSAKSA-N 2 1 297.446 3.458 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+]1CCCC1 ZINC000186982176 374949706 /nfs/dbraw/zinc/94/97/06/374949706.db2.gz AAZIPMUHRMZUHA-GOEBONIOSA-N 2 1 284.513 3.228 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000470255254 374995760 /nfs/dbraw/zinc/99/57/60/374995760.db2.gz NXXVBPDQTBGRIJ-VIQHNZTISA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1 ZINC000187363957 375011564 /nfs/dbraw/zinc/01/15/64/375011564.db2.gz WNCHDPTZTGKMCX-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1 ZINC000187363957 375011567 /nfs/dbraw/zinc/01/15/67/375011567.db2.gz WNCHDPTZTGKMCX-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)ccc2n1 ZINC000187363957 375011571 /nfs/dbraw/zinc/01/15/71/375011571.db2.gz WNCHDPTZTGKMCX-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)ccc2n1 ZINC000187363957 375011575 /nfs/dbraw/zinc/01/15/75/375011575.db2.gz WNCHDPTZTGKMCX-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP CC[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000472581068 375025535 /nfs/dbraw/zinc/02/55/35/375025535.db2.gz SSRYSMRBOVNDFF-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472581068 375025543 /nfs/dbraw/zinc/02/55/43/375025543.db2.gz SSRYSMRBOVNDFF-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472581068 375025550 /nfs/dbraw/zinc/02/55/50/375025550.db2.gz SSRYSMRBOVNDFF-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+]CC1(CCOC)CCCCC1 ZINC000189026378 375312972 /nfs/dbraw/zinc/31/29/72/375312972.db2.gz UEOGMMHOMSDUKP-INIZCTEOSA-N 2 1 284.488 3.293 20 0 CGADMP C[C@H]1C[C@H](N(C)Cc2cc(F)ccc2Cl)CC[N@H+]1C ZINC000189069459 375317944 /nfs/dbraw/zinc/31/79/44/375317944.db2.gz RCJWEPFSMLZAKU-SMDDNHRTSA-N 2 1 284.806 3.394 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000189078549 375320430 /nfs/dbraw/zinc/32/04/30/375320430.db2.gz LSZFAHFGXZMQHS-HNNXBMFYSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000189078549 375320437 /nfs/dbraw/zinc/32/04/37/375320437.db2.gz LSZFAHFGXZMQHS-HNNXBMFYSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000189078549 375320444 /nfs/dbraw/zinc/32/04/44/375320444.db2.gz LSZFAHFGXZMQHS-HNNXBMFYSA-N 2 1 260.425 3.023 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC1CCC([NH3+])CC1 ZINC000335356401 375265373 /nfs/dbraw/zinc/26/53/73/375265373.db2.gz BOXHYUMQPZQUIF-UHFFFAOYSA-N 2 1 255.365 3.225 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000189504091 375398805 /nfs/dbraw/zinc/39/88/05/375398805.db2.gz LAEJSENUDITVLB-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000189504091 375398811 /nfs/dbraw/zinc/39/88/11/375398811.db2.gz LAEJSENUDITVLB-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000189504091 375398816 /nfs/dbraw/zinc/39/88/16/375398816.db2.gz LAEJSENUDITVLB-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000189504091 375398819 /nfs/dbraw/zinc/39/88/19/375398819.db2.gz LAEJSENUDITVLB-PBHICJAKSA-N 2 1 260.425 3.164 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2s1)C1CC[NH2+]CC1 ZINC000335734723 375387161 /nfs/dbraw/zinc/38/71/61/375387161.db2.gz BVUMGBAYZVTTJR-UHFFFAOYSA-N 2 1 260.406 3.085 20 0 CGADMP CC(C)OC1CC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000189567900 375412682 /nfs/dbraw/zinc/41/26/82/375412682.db2.gz IKABMNMGDYRSCD-LCMLCXGQSA-N 2 1 294.483 3.185 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000335916487 375538116 /nfs/dbraw/zinc/53/81/16/375538116.db2.gz JBGGZDWHEGMLGL-MRXNPFEDSA-N 2 1 292.467 3.038 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000335916487 375538124 /nfs/dbraw/zinc/53/81/24/375538124.db2.gz JBGGZDWHEGMLGL-MRXNPFEDSA-N 2 1 292.467 3.038 20 0 CGADMP C[N@H+]1CCCC12CCN(Cc1cnc3ccccc3c1)CC2 ZINC000335920376 375540173 /nfs/dbraw/zinc/54/01/73/375540173.db2.gz DDNHPJYCYWZIFP-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC(OCCC(C)C)CC1 ZINC000191776367 375661553 /nfs/dbraw/zinc/66/15/53/375661553.db2.gz GMAJOCOFTGOVGH-UHFFFAOYSA-N 2 1 284.488 3.245 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cocn2)CC1 ZINC000191948703 375682606 /nfs/dbraw/zinc/68/26/06/375682606.db2.gz RFHDQODZWGZFKY-HNNXBMFYSA-N 2 1 291.439 3.151 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cocn2)CC1 ZINC000191948703 375682609 /nfs/dbraw/zinc/68/26/09/375682609.db2.gz RFHDQODZWGZFKY-HNNXBMFYSA-N 2 1 291.439 3.151 20 0 CGADMP CCCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000123927171 542029930 /nfs/dbraw/zinc/02/99/30/542029930.db2.gz JGZGITNYMRXKKV-UHFFFAOYSA-N 2 1 258.409 3.097 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507486772 375707369 /nfs/dbraw/zinc/70/73/69/375707369.db2.gz PEHKPTJKNQTOKU-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507486772 375707373 /nfs/dbraw/zinc/70/73/73/375707373.db2.gz PEHKPTJKNQTOKU-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179856 375753654 /nfs/dbraw/zinc/75/36/54/375753654.db2.gz JQNOLXSFKOBDSD-PXAZEXFGSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179856 375753658 /nfs/dbraw/zinc/75/36/58/375753658.db2.gz JQNOLXSFKOBDSD-PXAZEXFGSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179856 375753664 /nfs/dbraw/zinc/75/36/64/375753664.db2.gz JQNOLXSFKOBDSD-PXAZEXFGSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179856 375753666 /nfs/dbraw/zinc/75/36/66/375753666.db2.gz JQNOLXSFKOBDSD-PXAZEXFGSA-N 2 1 289.398 3.079 20 0 CGADMP CC[NH+](CC)Cc1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000127905177 542048377 /nfs/dbraw/zinc/04/83/77/542048377.db2.gz YNSOEJKDBKVXJF-QAPCUYQASA-N 2 1 289.467 3.423 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000128072344 542049693 /nfs/dbraw/zinc/04/96/93/542049693.db2.gz DABKSGYJRRZPIH-HNNXBMFYSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000129890310 542059848 /nfs/dbraw/zinc/05/98/48/542059848.db2.gz JKTAYBARANDAKO-INIZCTEOSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c21 ZINC000192818309 375793183 /nfs/dbraw/zinc/79/31/83/375793183.db2.gz VSZHJLPEWDPVEJ-ALOPSCKCSA-N 2 1 297.446 3.234 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(Cl)c1 ZINC000193457818 375880803 /nfs/dbraw/zinc/88/08/03/375880803.db2.gz VMQAWAKJQYKZQZ-UHFFFAOYSA-N 2 1 266.816 3.258 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(Cl)c1 ZINC000193457818 375880809 /nfs/dbraw/zinc/88/08/09/375880809.db2.gz VMQAWAKJQYKZQZ-UHFFFAOYSA-N 2 1 266.816 3.258 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000193733591 375917217 /nfs/dbraw/zinc/91/72/17/375917217.db2.gz MFPMYTZGJOGHQZ-AWEZNQCLSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000193879938 375934973 /nfs/dbraw/zinc/93/49/73/375934973.db2.gz CFIVTWHVCLKBJR-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000336788129 375937478 /nfs/dbraw/zinc/93/74/78/375937478.db2.gz OCBFNNBAEKEPHP-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP CCSCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336800209 375947485 /nfs/dbraw/zinc/94/74/85/375947485.db2.gz LHUSWPMXMDCLFC-INIZCTEOSA-N 2 1 284.513 3.183 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000534956088 376009706 /nfs/dbraw/zinc/00/97/06/376009706.db2.gz RFFFDLYYBUYODS-BHYGNILZSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000534956088 376009712 /nfs/dbraw/zinc/00/97/12/376009712.db2.gz RFFFDLYYBUYODS-BHYGNILZSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337203023 376135612 /nfs/dbraw/zinc/13/56/12/376135612.db2.gz FWQMFSKJHOAMQW-UHFFFAOYSA-N 2 1 260.425 3.221 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536857861 376136597 /nfs/dbraw/zinc/13/65/97/376136597.db2.gz MNUDLFUJGUPQIP-ZACQAIPSSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212816660 376138735 /nfs/dbraw/zinc/13/87/35/376138735.db2.gz HXFVICJSEZLGPM-VXGBXAGGSA-N 2 1 284.806 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000536879592 376142156 /nfs/dbraw/zinc/14/21/56/376142156.db2.gz XGBSTUNFEDFERW-QAPCUYQASA-N 2 1 298.430 3.148 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(C)c1 ZINC000536911720 376143757 /nfs/dbraw/zinc/14/37/57/376143757.db2.gz UOFXNSNVIMWLGY-NUJGCVRESA-N 2 1 290.451 3.082 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c2ccccc12 ZINC000215977292 376154228 /nfs/dbraw/zinc/15/42/28/376154228.db2.gz JSWATYFYSMBKSK-ZIAGYGMSSA-N 2 1 284.403 3.018 20 0 CGADMP C[C@H]1C[C@]1(NCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000337270726 376183118 /nfs/dbraw/zinc/18/31/18/376183118.db2.gz ZYCXMWVHAICWSB-IINYFYTJSA-N 2 1 261.756 3.088 20 0 CGADMP CSc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337272677 376183970 /nfs/dbraw/zinc/18/39/70/376183970.db2.gz OOVOZRJBKKHIEI-UHFFFAOYSA-N 2 1 278.465 3.326 20 0 CGADMP CSc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337272677 376183975 /nfs/dbraw/zinc/18/39/75/376183975.db2.gz OOVOZRJBKKHIEI-UHFFFAOYSA-N 2 1 278.465 3.326 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000337378022 376217211 /nfs/dbraw/zinc/21/72/11/376217211.db2.gz BSHMYFYGRYKYQI-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000221851866 376223919 /nfs/dbraw/zinc/22/39/19/376223919.db2.gz PZYASIAKGUGMOX-DZKIICNBSA-N 2 1 276.424 3.219 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000221851866 376223922 /nfs/dbraw/zinc/22/39/22/376223922.db2.gz PZYASIAKGUGMOX-DZKIICNBSA-N 2 1 276.424 3.219 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CC)cc2)C1 ZINC000538722681 376260883 /nfs/dbraw/zinc/26/08/83/376260883.db2.gz GCNIDVOHQXJHJY-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CC)cc2)C1 ZINC000538722681 376260892 /nfs/dbraw/zinc/26/08/92/376260892.db2.gz GCNIDVOHQXJHJY-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CC)cc2)C1 ZINC000538722681 376260899 /nfs/dbraw/zinc/26/08/99/376260899.db2.gz GCNIDVOHQXJHJY-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCSC(C)C ZINC000338341007 376339136 /nfs/dbraw/zinc/33/91/36/376339136.db2.gz BVSSSKHVZZUFDA-UHFFFAOYSA-N 2 1 283.485 3.299 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCSC(C)C ZINC000338341007 376339142 /nfs/dbraw/zinc/33/91/42/376339142.db2.gz BVSSSKHVZZUFDA-UHFFFAOYSA-N 2 1 283.485 3.299 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000539896290 376346027 /nfs/dbraw/zinc/34/60/27/376346027.db2.gz KVPSQOWHKAKIMK-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000539896290 376346029 /nfs/dbraw/zinc/34/60/29/376346029.db2.gz KVPSQOWHKAKIMK-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000539896290 376346031 /nfs/dbraw/zinc/34/60/31/376346031.db2.gz KVPSQOWHKAKIMK-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000540151290 376359266 /nfs/dbraw/zinc/35/92/66/376359266.db2.gz MLFWKMKUKBWENM-ZBFHGGJFSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000226918674 376374510 /nfs/dbraw/zinc/37/45/10/376374510.db2.gz KVCFFHFJCREFSL-GUYCJALGSA-N 2 1 276.399 3.208 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000228191063 376430584 /nfs/dbraw/zinc/43/05/84/376430584.db2.gz YMXVQENWXDMUDW-CVEARBPZSA-N 2 1 290.451 3.177 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000228209889 376433323 /nfs/dbraw/zinc/43/33/23/376433323.db2.gz KDIZDFQHUPERKI-WBMJQRKESA-N 2 1 272.392 3.171 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]21 ZINC000228472690 376436030 /nfs/dbraw/zinc/43/60/30/376436030.db2.gz OZNHYWCKTFIVNW-BHIYHBOVSA-N 2 1 280.415 3.399 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC000541317341 376438656 /nfs/dbraw/zinc/43/86/56/376438656.db2.gz MEYDAZBWHOUDJH-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000541537881 376455807 /nfs/dbraw/zinc/45/58/07/376455807.db2.gz SVWKRUVSKHCQGU-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000541537881 376455815 /nfs/dbraw/zinc/45/58/15/376455815.db2.gz SVWKRUVSKHCQGU-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000541537881 376455821 /nfs/dbraw/zinc/45/58/21/376455821.db2.gz SVWKRUVSKHCQGU-BRWVUGGUSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000542164048 376513976 /nfs/dbraw/zinc/51/39/76/376513976.db2.gz YQVVGVSLZKVIQU-RHSMWYFYSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000542164048 376513981 /nfs/dbraw/zinc/51/39/81/376513981.db2.gz YQVVGVSLZKVIQU-RHSMWYFYSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000542164048 376513984 /nfs/dbraw/zinc/51/39/84/376513984.db2.gz YQVVGVSLZKVIQU-RHSMWYFYSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000542164050 376515454 /nfs/dbraw/zinc/51/54/54/376515454.db2.gz YQVVGVSLZKVIQU-YOEHRIQHSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000542164050 376515466 /nfs/dbraw/zinc/51/54/66/376515466.db2.gz YQVVGVSLZKVIQU-YOEHRIQHSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000542164050 376515475 /nfs/dbraw/zinc/51/54/75/376515475.db2.gz YQVVGVSLZKVIQU-YOEHRIQHSA-N 2 1 292.492 3.343 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000230993535 376551326 /nfs/dbraw/zinc/55/13/26/376551326.db2.gz PYPNPPAOOBJYOO-ARFHVFGLSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000542464207 376542876 /nfs/dbraw/zinc/54/28/76/376542876.db2.gz BPDFJELVUNLCJV-YVSFHVDLSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000542464207 376542882 /nfs/dbraw/zinc/54/28/82/376542882.db2.gz BPDFJELVUNLCJV-YVSFHVDLSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000542469124 376544534 /nfs/dbraw/zinc/54/45/34/376544534.db2.gz MKKYPJTURWYBMO-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)(C)CC[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000236610064 376672761 /nfs/dbraw/zinc/67/27/61/376672761.db2.gz LRGQVVPFUPOFDK-UHFFFAOYSA-N 2 1 290.451 3.045 20 0 CGADMP Cc1[nH+]c2ccccc2c(NC[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000544069212 376700778 /nfs/dbraw/zinc/70/07/78/376700778.db2.gz PQEFNEHZFNNKEY-MRXNPFEDSA-N 2 1 297.446 3.416 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC000339432270 376755950 /nfs/dbraw/zinc/75/59/50/376755950.db2.gz HXXJBFVRRDKAOA-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC000339432270 376755955 /nfs/dbraw/zinc/75/59/55/376755955.db2.gz HXXJBFVRRDKAOA-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC000339432270 376755970 /nfs/dbraw/zinc/75/59/70/376755970.db2.gz HXXJBFVRRDKAOA-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000156516321 542129223 /nfs/dbraw/zinc/12/92/23/542129223.db2.gz VQRSLVGQGZHYLE-WBVHZDCISA-N 2 1 287.451 3.133 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000245538220 376844038 /nfs/dbraw/zinc/84/40/38/376844038.db2.gz MSNQLKFUAQWSJW-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000245538220 376844041 /nfs/dbraw/zinc/84/40/41/376844041.db2.gz MSNQLKFUAQWSJW-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000245538220 376844045 /nfs/dbraw/zinc/84/40/45/376844045.db2.gz MSNQLKFUAQWSJW-QZWWFDLISA-N 2 1 264.457 3.229 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245581980 376860669 /nfs/dbraw/zinc/86/06/69/376860669.db2.gz CWAAXDZAPJUOHP-HZPDHXFCSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245581980 376860678 /nfs/dbraw/zinc/86/06/78/376860678.db2.gz CWAAXDZAPJUOHP-HZPDHXFCSA-N 2 1 261.413 3.236 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000245601456 376865305 /nfs/dbraw/zinc/86/53/05/376865305.db2.gz MMLAODIAKMWQFX-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000245601456 376865308 /nfs/dbraw/zinc/86/53/08/376865308.db2.gz MMLAODIAKMWQFX-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000245601456 376865311 /nfs/dbraw/zinc/86/53/11/376865311.db2.gz MMLAODIAKMWQFX-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CC)C1 ZINC000245779633 376905266 /nfs/dbraw/zinc/90/52/66/376905266.db2.gz YPVCMIRXCBYSEX-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1C ZINC000245781645 376907764 /nfs/dbraw/zinc/90/77/64/376907764.db2.gz ULFGRZOYJAQBGE-WMLDXEAASA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000245781645 376907775 /nfs/dbraw/zinc/90/77/75/376907775.db2.gz ULFGRZOYJAQBGE-WMLDXEAASA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000245781645 376907783 /nfs/dbraw/zinc/90/77/83/376907783.db2.gz ULFGRZOYJAQBGE-WMLDXEAASA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000245781645 376907790 /nfs/dbraw/zinc/90/77/90/376907790.db2.gz ULFGRZOYJAQBGE-WMLDXEAASA-N 2 1 260.425 3.218 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000558491108 377014784 /nfs/dbraw/zinc/01/47/84/377014784.db2.gz VXCYEMOBETZQFN-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000558491108 377014788 /nfs/dbraw/zinc/01/47/88/377014788.db2.gz VXCYEMOBETZQFN-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC000246390182 377022022 /nfs/dbraw/zinc/02/20/22/377022022.db2.gz AXQSUQAFHXRTSV-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000340369587 377023437 /nfs/dbraw/zinc/02/34/37/377023437.db2.gz FGNDRJRAAOUIAB-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000340369587 377023438 /nfs/dbraw/zinc/02/34/38/377023438.db2.gz FGNDRJRAAOUIAB-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000340369587 377023441 /nfs/dbraw/zinc/02/34/41/377023441.db2.gz FGNDRJRAAOUIAB-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](CCc1cccc(F)c1)C1CC1 ZINC000340371297 377025660 /nfs/dbraw/zinc/02/56/60/377025660.db2.gz JWWJDKOKZLOJQR-KRWDZBQOSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000340371297 377025666 /nfs/dbraw/zinc/02/56/66/377025666.db2.gz JWWJDKOKZLOJQR-KRWDZBQOSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000340371297 377025670 /nfs/dbraw/zinc/02/56/70/377025670.db2.gz JWWJDKOKZLOJQR-KRWDZBQOSA-N 2 1 290.426 3.317 20 0 CGADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC000246507865 377044124 /nfs/dbraw/zinc/04/41/24/377044124.db2.gz QJCMOAOKUYNASB-MAUKXSAKSA-N 2 1 272.436 3.112 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000246215429 376992087 /nfs/dbraw/zinc/99/20/87/376992087.db2.gz PMNUCNCYHLFJOP-CMPLNLGQSA-N 2 1 272.845 3.221 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000246215429 376992094 /nfs/dbraw/zinc/99/20/94/376992094.db2.gz PMNUCNCYHLFJOP-CMPLNLGQSA-N 2 1 272.845 3.221 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C2CC2)c1 ZINC000340315570 376997838 /nfs/dbraw/zinc/99/78/38/376997838.db2.gz HFBYBQCPDGXVLB-AWEZNQCLSA-N 2 1 270.420 3.477 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246641206 377066192 /nfs/dbraw/zinc/06/61/92/377066192.db2.gz JPYVXXHJBVYNJN-IAGOWNOFSA-N 2 1 264.457 3.300 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C12CCCC2 ZINC000246982059 377131587 /nfs/dbraw/zinc/13/15/87/377131587.db2.gz IXFVDDRMBXFCHH-WCXIOVBPSA-N 2 1 294.483 3.044 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C12CCCC2 ZINC000246982014 377131729 /nfs/dbraw/zinc/13/17/29/377131729.db2.gz IXFVDDRMBXFCHH-LUKYLMHMSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000247092356 377156970 /nfs/dbraw/zinc/15/69/70/377156970.db2.gz RSDNGLOXWKNXRT-BFYDXBDKSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000247092356 377156982 /nfs/dbraw/zinc/15/69/82/377156982.db2.gz RSDNGLOXWKNXRT-BFYDXBDKSA-N 2 1 274.452 3.425 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000560515265 377164546 /nfs/dbraw/zinc/16/45/46/377164546.db2.gz WOCVDAVKBCLRNA-XHSDSOJGSA-N 2 1 278.465 3.273 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@H]2CCC[C@@H]21 ZINC000560546370 377168275 /nfs/dbraw/zinc/16/82/75/377168275.db2.gz QXLBKSMBPZFPSJ-XUFBONQXSA-N 2 1 296.458 3.035 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2C)[C@@H](C)C1 ZINC000247959041 377249671 /nfs/dbraw/zinc/24/96/71/377249671.db2.gz FYXFGBOXLOYQAI-DLBZAZTESA-N 2 1 290.451 3.084 20 0 CGADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247964611 377250700 /nfs/dbraw/zinc/25/07/00/377250700.db2.gz GQWUDPMUHPDBQG-SQWLQELKSA-N 2 1 296.480 3.146 20 0 CGADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247964611 377250706 /nfs/dbraw/zinc/25/07/06/377250706.db2.gz GQWUDPMUHPDBQG-SQWLQELKSA-N 2 1 296.480 3.146 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000561976818 377259409 /nfs/dbraw/zinc/25/94/09/377259409.db2.gz YPGRFLFEGGXBFY-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248443397 377320951 /nfs/dbraw/zinc/32/09/51/377320951.db2.gz VUABJIJGTFIGID-BHYGNILZSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248443397 377320958 /nfs/dbraw/zinc/32/09/58/377320958.db2.gz VUABJIJGTFIGID-BHYGNILZSA-N 2 1 275.440 3.482 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248455327 377323600 /nfs/dbraw/zinc/32/36/00/377323600.db2.gz HUTQODWGMMJIID-NCOADZHNSA-N 2 1 264.457 3.229 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000248140173 377272330 /nfs/dbraw/zinc/27/23/30/377272330.db2.gz PNQCOINVQSHCMY-LESCRADOSA-N 2 1 272.436 3.036 20 0 CGADMP CC(C)c1nc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000248177227 377278071 /nfs/dbraw/zinc/27/80/71/377278071.db2.gz VTXWIVXOJMDMKM-ZFWWWQNUSA-N 2 1 293.480 3.183 20 0 CGADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000248344688 377290704 /nfs/dbraw/zinc/29/07/04/377290704.db2.gz LXBVSFMVABFGFI-FZKCQIBNSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000248344688 377290705 /nfs/dbraw/zinc/29/07/05/377290705.db2.gz LXBVSFMVABFGFI-FZKCQIBNSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000248344688 377290713 /nfs/dbraw/zinc/29/07/13/377290713.db2.gz LXBVSFMVABFGFI-FZKCQIBNSA-N 2 1 252.446 3.227 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587879 377357247 /nfs/dbraw/zinc/35/72/47/377357247.db2.gz YJIHWDSOQFSJPK-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587879 377357253 /nfs/dbraw/zinc/35/72/53/377357253.db2.gz YJIHWDSOQFSJPK-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587879 377357262 /nfs/dbraw/zinc/35/72/62/377357262.db2.gz YJIHWDSOQFSJPK-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP Fc1cccc2c1C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000563269495 377430159 /nfs/dbraw/zinc/43/01/59/377430159.db2.gz UMXNURKDYUYYJP-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP Fc1cccc2c1C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000563269495 377430167 /nfs/dbraw/zinc/43/01/67/377430167.db2.gz UMXNURKDYUYYJP-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc2ccccc21 ZINC000563349039 377447293 /nfs/dbraw/zinc/44/72/93/377447293.db2.gz NQJNIXPDKZQCJT-HOCLYGCPSA-N 2 1 284.403 3.030 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000249485836 377507849 /nfs/dbraw/zinc/50/78/49/377507849.db2.gz YBJFFHDGCPRIIO-RYRKJORJSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249485836 377507854 /nfs/dbraw/zinc/50/78/54/377507854.db2.gz YBJFFHDGCPRIIO-RYRKJORJSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249485836 377507857 /nfs/dbraw/zinc/50/78/57/377507857.db2.gz YBJFFHDGCPRIIO-RYRKJORJSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249485836 377507863 /nfs/dbraw/zinc/50/78/63/377507863.db2.gz YBJFFHDGCPRIIO-RYRKJORJSA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249485836 377507869 /nfs/dbraw/zinc/50/78/69/377507869.db2.gz YBJFFHDGCPRIIO-RYRKJORJSA-N 2 1 274.452 3.280 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000092165648 249032901 /nfs/dbraw/zinc/03/29/01/249032901.db2.gz XPYXPACYTYQLCW-UHFFFAOYSA-N 2 1 278.415 3.440 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000092165648 249032903 /nfs/dbraw/zinc/03/29/03/249032903.db2.gz XPYXPACYTYQLCW-UHFFFAOYSA-N 2 1 278.415 3.440 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Sc1ccccc1 ZINC000166729422 542175186 /nfs/dbraw/zinc/17/51/86/542175186.db2.gz ZKQTXPHIKHYLST-BZUAXINKSA-N 2 1 290.476 3.384 20 0 CGADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272997812 249064480 /nfs/dbraw/zinc/06/44/80/249064480.db2.gz QXBGUECPZAYLNI-OLZOCXBDSA-N 2 1 299.422 3.023 20 0 CGADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272997812 249064483 /nfs/dbraw/zinc/06/44/83/249064483.db2.gz QXBGUECPZAYLNI-OLZOCXBDSA-N 2 1 299.422 3.023 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)C[NH3+] ZINC000414921415 249124288 /nfs/dbraw/zinc/12/42/88/249124288.db2.gz BFORNCKTSLUGLU-BXKDBHETSA-N 2 1 275.223 3.251 20 0 CGADMP CC[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459571547 249157361 /nfs/dbraw/zinc/15/73/61/249157361.db2.gz GOJITQBSOBRMIC-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470010038 249166214 /nfs/dbraw/zinc/16/62/14/249166214.db2.gz VZIDKDKUPXNOOQ-JQHSSLGASA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470010038 249166215 /nfs/dbraw/zinc/16/62/15/249166215.db2.gz VZIDKDKUPXNOOQ-JQHSSLGASA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000515407405 249211282 /nfs/dbraw/zinc/21/12/82/249211282.db2.gz VCRNLOJPBQYECP-CYBMUJFWSA-N 2 1 294.389 3.137 20 0 CGADMP CCC(C)(C)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000516200058 249229010 /nfs/dbraw/zinc/22/90/10/249229010.db2.gz KATOBGYQYQZQAC-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP CCC(C)(C)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000516200058 249229012 /nfs/dbraw/zinc/22/90/12/249229012.db2.gz KATOBGYQYQZQAC-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000251501737 377584550 /nfs/dbraw/zinc/58/45/50/377584550.db2.gz GCZDCZMCKCUNQN-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000251501737 377584565 /nfs/dbraw/zinc/58/45/65/377584565.db2.gz GCZDCZMCKCUNQN-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1c(F)cccc1Cl ZINC000517371762 249263820 /nfs/dbraw/zinc/26/38/20/249263820.db2.gz FSKXBPJWUSZNLZ-RYUDHWBXSA-N 2 1 284.806 3.081 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000180135564 542206443 /nfs/dbraw/zinc/20/64/43/542206443.db2.gz UXMYDHJLIKJQOB-KKUMJFAQSA-N 2 1 292.471 3.127 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(C)(C)c2ccccc2)C1 ZINC000180550164 542212172 /nfs/dbraw/zinc/21/21/72/542212172.db2.gz KRNUIIVGJZNSHF-INIZCTEOSA-N 2 1 274.452 3.238 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000180550164 542212173 /nfs/dbraw/zinc/21/21/73/542212173.db2.gz KRNUIIVGJZNSHF-INIZCTEOSA-N 2 1 274.452 3.238 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000180550164 542212175 /nfs/dbraw/zinc/21/21/75/542212175.db2.gz KRNUIIVGJZNSHF-INIZCTEOSA-N 2 1 274.452 3.238 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC[N@@H+]1C ZINC000252141987 377614965 /nfs/dbraw/zinc/61/49/65/377614965.db2.gz NIOKCKRUWWBRGM-NQNKBUKLSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC[N@H+]1C ZINC000252141987 377614968 /nfs/dbraw/zinc/61/49/68/377614968.db2.gz NIOKCKRUWWBRGM-NQNKBUKLSA-N 2 1 264.457 3.418 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252672479 377647206 /nfs/dbraw/zinc/64/72/06/377647206.db2.gz AODFIWJVPJLKNN-SJORKVTESA-N 2 1 288.435 3.192 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@H+](CCCc3cncn3C)C2)cc1 ZINC000574336802 377650172 /nfs/dbraw/zinc/65/01/72/377650172.db2.gz YSRWXTJTFTVWJA-IBGZPJMESA-N 2 1 297.446 3.325 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000574336802 377650180 /nfs/dbraw/zinc/65/01/80/377650180.db2.gz YSRWXTJTFTVWJA-IBGZPJMESA-N 2 1 297.446 3.325 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000574336802 377650185 /nfs/dbraw/zinc/65/01/85/377650185.db2.gz YSRWXTJTFTVWJA-IBGZPJMESA-N 2 1 297.446 3.325 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000252708675 377652225 /nfs/dbraw/zinc/65/22/25/377652225.db2.gz AVBROUKKGYHIIV-KBXCAEBGSA-N 2 1 268.404 3.270 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000253124072 377678476 /nfs/dbraw/zinc/67/84/76/377678476.db2.gz PDOMFWBIWYDDLJ-IJLUTSLNSA-N 2 1 266.351 3.180 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000253124072 377678482 /nfs/dbraw/zinc/67/84/82/377678482.db2.gz PDOMFWBIWYDDLJ-IJLUTSLNSA-N 2 1 266.351 3.180 20 0 CGADMP CCC1CC([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000342669778 377722860 /nfs/dbraw/zinc/72/28/60/377722860.db2.gz PSTMEIWYSRYLRF-UHFFFAOYSA-N 2 1 260.425 3.287 20 0 CGADMP c1cn2c(cccc2C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000342678186 377728888 /nfs/dbraw/zinc/72/88/88/377728888.db2.gz SYNJXRBJZFYFKM-INIZCTEOSA-N 2 1 263.344 3.281 20 0 CGADMP c1cn2c(cccc2CN2CC[C@H]2c2ccccc2)n1 ZINC000342678186 377728894 /nfs/dbraw/zinc/72/88/94/377728894.db2.gz SYNJXRBJZFYFKM-INIZCTEOSA-N 2 1 263.344 3.281 20 0 CGADMP C[NH+](C)CCC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000342720108 377753217 /nfs/dbraw/zinc/75/32/17/377753217.db2.gz FXSUGMOIRFIYOX-UHFFFAOYSA-N 2 1 293.480 3.184 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000342745068 377770354 /nfs/dbraw/zinc/77/03/54/377770354.db2.gz YGAUCJXRYQRICE-QGZVFWFLSA-N 2 1 291.414 3.136 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3sccc3[C@H]2C)CC[NH2+]1 ZINC000261563455 377818964 /nfs/dbraw/zinc/81/89/64/377818964.db2.gz GWOJVAAABPZXCQ-UPJWGTAASA-N 2 1 264.438 3.055 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H](C)[NH3+] ZINC000261590966 377823025 /nfs/dbraw/zinc/82/30/25/377823025.db2.gz UXRWTLQJTUKKNO-YIZRAAEISA-N 2 1 261.196 3.380 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000261656205 377833933 /nfs/dbraw/zinc/83/39/33/377833933.db2.gz HRUDPVOTMDONBG-INIZCTEOSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000261656205 377833942 /nfs/dbraw/zinc/83/39/42/377833942.db2.gz HRUDPVOTMDONBG-INIZCTEOSA-N 2 1 289.810 3.059 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257650331 377799193 /nfs/dbraw/zinc/79/91/93/377799193.db2.gz DCJOXWLMVPYDHO-UHFFFAOYSA-N 2 1 272.436 3.003 20 0 CGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261686219 377839491 /nfs/dbraw/zinc/83/94/91/377839491.db2.gz ARFNXLKBWQONLF-IAGOWNOFSA-N 2 1 278.415 3.454 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]12 ZINC000261866978 377861779 /nfs/dbraw/zinc/86/17/79/377861779.db2.gz YMKSDGSCHZHKMP-BPQIPLTHSA-N 2 1 266.388 3.009 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3cnccc32)C1 ZINC000183365097 542230062 /nfs/dbraw/zinc/23/00/62/542230062.db2.gz PQDPPNFMNXKMQE-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183365097 542230066 /nfs/dbraw/zinc/23/00/66/542230066.db2.gz PQDPPNFMNXKMQE-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183365097 542230071 /nfs/dbraw/zinc/23/00/71/542230071.db2.gz PQDPPNFMNXKMQE-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000261924038 377868859 /nfs/dbraw/zinc/86/88/59/377868859.db2.gz KTZZAXFWYWUKHX-XJKSGUPXSA-N 2 1 264.388 3.003 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3CC[NH3+])on2)cc1 ZINC000261961200 377873731 /nfs/dbraw/zinc/87/37/31/377873731.db2.gz OSRPKQUFFYAZOY-INIZCTEOSA-N 2 1 299.418 3.353 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3CC[NH3+])on2)cc1 ZINC000261961200 377873738 /nfs/dbraw/zinc/87/37/38/377873738.db2.gz OSRPKQUFFYAZOY-INIZCTEOSA-N 2 1 299.418 3.353 20 0 CGADMP CC[N@@H+](C[C@H](C)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000261995304 377875454 /nfs/dbraw/zinc/87/54/54/377875454.db2.gz SSIRUBKUGQTDGG-YOEHRIQHSA-N 2 1 278.415 3.393 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261985712 377876447 /nfs/dbraw/zinc/87/64/47/377876447.db2.gz SFLXIZRDEGVBOP-MRXNPFEDSA-N 2 1 298.430 3.150 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)on2)cc1 ZINC000261996614 377877223 /nfs/dbraw/zinc/87/72/23/377877223.db2.gz UPDPUEREOFLKPS-HNNXBMFYSA-N 2 1 299.418 3.211 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261734872 377846618 /nfs/dbraw/zinc/84/66/18/377846618.db2.gz HSHJIYIGFLPRCY-SJORKVTESA-N 2 1 258.409 3.132 20 0 CGADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)Cc1ccsc1 ZINC000261773944 377852936 /nfs/dbraw/zinc/85/29/36/377852936.db2.gz DXDSAZXEUUIOQK-ZDUSSCGKSA-N 2 1 266.454 3.001 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc12 ZINC000262575035 377901863 /nfs/dbraw/zinc/90/18/63/377901863.db2.gz XZTMBVQWDNDDOX-JCGIZDLHSA-N 2 1 296.414 3.018 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)on2)cc1 ZINC000262562541 377902292 /nfs/dbraw/zinc/90/22/92/377902292.db2.gz VVTDSVZMFIMCRV-MRXNPFEDSA-N 2 1 299.418 3.224 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)on2)cc1 ZINC000262562541 377902295 /nfs/dbraw/zinc/90/22/95/377902295.db2.gz VVTDSVZMFIMCRV-MRXNPFEDSA-N 2 1 299.418 3.224 20 0 CGADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)c1 ZINC000576027173 378007448 /nfs/dbraw/zinc/00/74/48/378007448.db2.gz PFRXDBJCXCGZJI-KXBFYZLASA-N 2 1 298.430 3.052 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000343421989 377975712 /nfs/dbraw/zinc/97/57/12/377975712.db2.gz OVHQHRHOSVOZJM-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000343421989 377975718 /nfs/dbraw/zinc/97/57/18/377975718.db2.gz OVHQHRHOSVOZJM-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266217603 378018088 /nfs/dbraw/zinc/01/80/88/378018088.db2.gz HFCPQLJFAIQNNJ-AWEZNQCLSA-N 2 1 299.805 3.339 20 0 CGADMP CSc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343756021 378083905 /nfs/dbraw/zinc/08/39/05/378083905.db2.gz YPWJQOJANKIROF-UHFFFAOYSA-N 2 1 290.476 3.469 20 0 CGADMP CSc1ccccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343756021 378083911 /nfs/dbraw/zinc/08/39/11/378083911.db2.gz YPWJQOJANKIROF-UHFFFAOYSA-N 2 1 290.476 3.469 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000578342208 378060846 /nfs/dbraw/zinc/06/08/46/378060846.db2.gz NCBUVIGCJRMZLF-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]CCc1ccc(F)cc1Cl ZINC000578474759 378072829 /nfs/dbraw/zinc/07/28/29/378072829.db2.gz CZGBKUGJIUKKHE-LBPRGKRZSA-N 2 1 286.822 3.342 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CCc1ccc(F)cc1Cl ZINC000578474759 378072837 /nfs/dbraw/zinc/07/28/37/378072837.db2.gz CZGBKUGJIUKKHE-LBPRGKRZSA-N 2 1 286.822 3.342 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000268799041 378114376 /nfs/dbraw/zinc/11/43/76/378114376.db2.gz ITXMAYUIKKUCMT-CQSZACIVSA-N 2 1 287.407 3.331 20 0 CGADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccsc43)CC[C@H]21 ZINC000268834944 378127434 /nfs/dbraw/zinc/12/74/34/378127434.db2.gz NGDWHOBIKNBBRH-GXTWGEPZSA-N 2 1 287.432 3.217 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccsc43)CC[C@H]21 ZINC000268834944 378127440 /nfs/dbraw/zinc/12/74/40/378127440.db2.gz NGDWHOBIKNBBRH-GXTWGEPZSA-N 2 1 287.432 3.217 20 0 CGADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccsc43)CC[C@H]21 ZINC000268834948 378127464 /nfs/dbraw/zinc/12/74/64/378127464.db2.gz NGDWHOBIKNBBRH-TZMCWYRMSA-N 2 1 287.432 3.217 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccsc43)CC[C@H]21 ZINC000268834948 378127469 /nfs/dbraw/zinc/12/74/69/378127469.db2.gz NGDWHOBIKNBBRH-TZMCWYRMSA-N 2 1 287.432 3.217 20 0 CGADMP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000268834091 378127623 /nfs/dbraw/zinc/12/76/23/378127623.db2.gz RNZVNOLRTGHEQW-CABCVRRESA-N 2 1 278.440 3.040 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000268860031 378132045 /nfs/dbraw/zinc/13/20/45/378132045.db2.gz MJOSSVPKBUTVAU-LBPRGKRZSA-N 2 1 261.344 3.072 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000268884986 378143188 /nfs/dbraw/zinc/14/31/88/378143188.db2.gz SOAXEPDGBBRDEQ-KRWDZBQOSA-N 2 1 299.418 3.394 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000343981982 378148684 /nfs/dbraw/zinc/14/86/84/378148684.db2.gz KIHPJXVBOCFGSD-GJZGRUSLSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000343981982 378148689 /nfs/dbraw/zinc/14/86/89/378148689.db2.gz KIHPJXVBOCFGSD-GJZGRUSLSA-N 2 1 270.461 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc3cccnc32)[C@@H](C)C1 ZINC000268758319 378104783 /nfs/dbraw/zinc/10/47/83/378104783.db2.gz KFWDGXCXTMCLMZ-YJBOKZPZSA-N 2 1 297.446 3.097 20 0 CGADMP COc1cccc2c1CC[C@@H]2NCCC[N@@H+](C)C(C)C ZINC000268767264 378106091 /nfs/dbraw/zinc/10/60/91/378106091.db2.gz OFWVHRNHIDRPMW-INIZCTEOSA-N 2 1 276.424 3.002 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000268767264 378106095 /nfs/dbraw/zinc/10/60/95/378106095.db2.gz OFWVHRNHIDRPMW-INIZCTEOSA-N 2 1 276.424 3.002 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000268767264 378106098 /nfs/dbraw/zinc/10/60/98/378106098.db2.gz OFWVHRNHIDRPMW-INIZCTEOSA-N 2 1 276.424 3.002 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268786244 378110821 /nfs/dbraw/zinc/11/08/21/378110821.db2.gz DXJKQUSKNFPHLZ-LLVKDONJSA-N 2 1 293.798 3.204 20 0 CGADMP CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000579887009 378204216 /nfs/dbraw/zinc/20/42/16/378204216.db2.gz KZBIRLPUDODAFX-STQMWFEESA-N 2 1 281.469 3.039 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nccc2ccccc21 ZINC000579897927 378205969 /nfs/dbraw/zinc/20/59/69/378205969.db2.gz QBBWLOMLSWZPRT-CABCVRRESA-N 2 1 283.419 3.227 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000579897927 378205973 /nfs/dbraw/zinc/20/59/73/378205973.db2.gz QBBWLOMLSWZPRT-CABCVRRESA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@@H+](CCOc1cc(C)ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345176415 378214705 /nfs/dbraw/zinc/21/47/05/378214705.db2.gz CIZADJRKEDDKES-KRWDZBQOSA-N 2 1 290.451 3.146 20 0 CGADMP COC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000345182373 378215828 /nfs/dbraw/zinc/21/58/28/378215828.db2.gz VWYZGKVXIXDCEV-HOTGVXAUSA-N 2 1 290.451 3.186 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000269035097 378178334 /nfs/dbraw/zinc/17/83/34/378178334.db2.gz SKEKEDXPMLQLLV-BXUZGUMPSA-N 2 1 282.428 3.292 20 0 CGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3(C)CC3)C2)CC1 ZINC000579679729 378183165 /nfs/dbraw/zinc/18/31/65/378183165.db2.gz UPFREZTYKOVWDQ-MRXNPFEDSA-N 2 1 264.457 3.230 20 0 CGADMP COCc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000269713494 378258197 /nfs/dbraw/zinc/25/81/97/378258197.db2.gz QRSRAXLZWKQQIJ-UHFFFAOYSA-N 2 1 290.451 3.138 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580834539 378262621 /nfs/dbraw/zinc/26/26/21/378262621.db2.gz SVADNNOAUBUJPP-IBGZPJMESA-N 2 1 280.415 3.415 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000582327895 378305151 /nfs/dbraw/zinc/30/51/51/378305151.db2.gz CDMVSAHLXKFIEB-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000582327895 378305153 /nfs/dbraw/zinc/30/51/53/378305153.db2.gz CDMVSAHLXKFIEB-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000582327895 378305157 /nfs/dbraw/zinc/30/51/57/378305157.db2.gz CDMVSAHLXKFIEB-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000582327895 378305159 /nfs/dbraw/zinc/30/51/59/378305159.db2.gz CDMVSAHLXKFIEB-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000582387713 378309357 /nfs/dbraw/zinc/30/93/57/378309357.db2.gz IYZUZGFHDRIIAF-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000582387713 378309365 /nfs/dbraw/zinc/30/93/65/378309365.db2.gz IYZUZGFHDRIIAF-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000582387713 378309377 /nfs/dbraw/zinc/30/93/77/378309377.db2.gz IYZUZGFHDRIIAF-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000582387713 378309383 /nfs/dbraw/zinc/30/93/83/378309383.db2.gz IYZUZGFHDRIIAF-YJBOKZPZSA-N 2 1 290.451 3.247 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000583257491 378315398 /nfs/dbraw/zinc/31/53/98/378315398.db2.gz QFESTCXMWCCLFD-OALUTQOASA-N 2 1 295.430 3.498 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1C ZINC000583330451 378322443 /nfs/dbraw/zinc/32/24/43/378322443.db2.gz ZUDPATSDUHNRDD-GDBMZVCRSA-N 2 1 263.429 3.253 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1C ZINC000583330451 378322447 /nfs/dbraw/zinc/32/24/47/378322447.db2.gz ZUDPATSDUHNRDD-GDBMZVCRSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCc1ccc(F)cc1Cl ZINC000583804778 378349090 /nfs/dbraw/zinc/34/90/90/378349090.db2.gz BHCJSEUALDRWIA-LRDDRELGSA-N 2 1 298.833 3.294 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCc1ccc(F)cc1Cl ZINC000583804778 378349096 /nfs/dbraw/zinc/34/90/96/378349096.db2.gz BHCJSEUALDRWIA-LRDDRELGSA-N 2 1 298.833 3.294 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCc1ccc(F)cc1Cl ZINC000583804778 378349104 /nfs/dbraw/zinc/34/91/04/378349104.db2.gz BHCJSEUALDRWIA-LRDDRELGSA-N 2 1 298.833 3.294 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000583804778 378349114 /nfs/dbraw/zinc/34/91/14/378349114.db2.gz BHCJSEUALDRWIA-LRDDRELGSA-N 2 1 298.833 3.294 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H](C)c1cccc(OC)c1 ZINC000270644025 378381464 /nfs/dbraw/zinc/38/14/64/378381464.db2.gz KEARDXCAZCPZFL-CQSZACIVSA-N 2 1 287.407 3.283 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)c1cccc(OC)c1 ZINC000270644025 378381472 /nfs/dbraw/zinc/38/14/72/378381472.db2.gz KEARDXCAZCPZFL-CQSZACIVSA-N 2 1 287.407 3.283 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)CCCCc1ccccc1 ZINC000270693960 378389202 /nfs/dbraw/zinc/38/92/02/378389202.db2.gz YSCWEESRBCTZEI-UHFFFAOYSA-N 2 1 271.408 3.146 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCCc1ccccc1 ZINC000270693960 378389212 /nfs/dbraw/zinc/38/92/12/378389212.db2.gz YSCWEESRBCTZEI-UHFFFAOYSA-N 2 1 271.408 3.146 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CC(C)C)C1CC1 ZINC000346139412 378476849 /nfs/dbraw/zinc/47/68/49/378476849.db2.gz UWXGJKGAJGZOIZ-UHFFFAOYSA-N 2 1 284.407 3.196 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000346165707 378486559 /nfs/dbraw/zinc/48/65/59/378486559.db2.gz IRUBTGGWCBFZKD-KBPBESRZSA-N 2 1 284.407 3.054 20 0 CGADMP CCCC[N@@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346178303 378493655 /nfs/dbraw/zinc/49/36/55/378493655.db2.gz PGJCGVPWGRGDCY-UHFFFAOYSA-N 2 1 272.396 3.198 20 0 CGADMP CC1(C)[C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)C[C@@H]21 ZINC000346223823 378510865 /nfs/dbraw/zinc/51/08/65/378510865.db2.gz PYPMDBFDQWPBPE-OKILXGFUSA-N 2 1 273.405 3.022 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000346310748 378540508 /nfs/dbraw/zinc/54/05/08/378540508.db2.gz NNWIQBGHWZYGDW-UHFFFAOYSA-N 2 1 283.419 3.473 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000346310748 378540514 /nfs/dbraw/zinc/54/05/14/378540514.db2.gz NNWIQBGHWZYGDW-UHFFFAOYSA-N 2 1 283.419 3.473 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000346594323 378637253 /nfs/dbraw/zinc/63/72/53/378637253.db2.gz MNMVONQCVNIXDX-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000346594323 378637263 /nfs/dbraw/zinc/63/72/63/378637263.db2.gz MNMVONQCVNIXDX-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]Cc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272252856 378595747 /nfs/dbraw/zinc/59/57/47/378595747.db2.gz YORKZKRLCWIIMJ-QFBILLFUSA-N 2 1 295.430 3.082 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3ncccc23)CC1 ZINC000637886937 378616070 /nfs/dbraw/zinc/61/60/70/378616070.db2.gz NOBLDCMWDHXTLZ-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3ncccc23)CC1 ZINC000637886937 378616076 /nfs/dbraw/zinc/61/60/76/378616076.db2.gz NOBLDCMWDHXTLZ-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP C[C@@H]([NH2+]C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272576152 378669095 /nfs/dbraw/zinc/66/90/95/378669095.db2.gz PVCZIIFDSDTVKD-GDBMZVCRSA-N 2 1 258.409 3.039 20 0 CGADMP Cc1scc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000638111677 378702824 /nfs/dbraw/zinc/70/28/24/378702824.db2.gz FWOIKGAXMCQZQG-HNNXBMFYSA-N 2 1 278.465 3.283 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000347012243 378704366 /nfs/dbraw/zinc/70/43/66/378704366.db2.gz VSBZOOGTENNJJH-OCCSQVGLSA-N 2 1 293.480 3.014 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000348049362 378765837 /nfs/dbraw/zinc/76/58/37/378765837.db2.gz QNLJBXDREGLKGS-ZWKOTPCHSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000348049362 378765843 /nfs/dbraw/zinc/76/58/43/378765843.db2.gz QNLJBXDREGLKGS-ZWKOTPCHSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000348049362 378765844 /nfs/dbraw/zinc/76/58/44/378765844.db2.gz QNLJBXDREGLKGS-ZWKOTPCHSA-N 2 1 290.426 3.317 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC1(F)F ZINC000638336401 378771771 /nfs/dbraw/zinc/77/17/71/378771771.db2.gz UIRMGBYTYFYUPM-BBRMVZONSA-N 2 1 294.389 3.068 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC1(F)F ZINC000638336401 378771773 /nfs/dbraw/zinc/77/17/73/378771773.db2.gz UIRMGBYTYFYUPM-BBRMVZONSA-N 2 1 294.389 3.068 20 0 CGADMP Cc1ccccc1C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000348070503 378775371 /nfs/dbraw/zinc/77/53/71/378775371.db2.gz JGGKSQVIPXGWFC-KRWDZBQOSA-N 2 1 272.436 3.444 20 0 CGADMP Cc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000348070503 378775375 /nfs/dbraw/zinc/77/53/75/378775375.db2.gz JGGKSQVIPXGWFC-KRWDZBQOSA-N 2 1 272.436 3.444 20 0 CGADMP Cc1ccccc1C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000348070503 378775379 /nfs/dbraw/zinc/77/53/79/378775379.db2.gz JGGKSQVIPXGWFC-KRWDZBQOSA-N 2 1 272.436 3.444 20 0 CGADMP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000348111199 378797743 /nfs/dbraw/zinc/79/77/43/378797743.db2.gz OASQKNGNFIJDDA-JKSUJKDBSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CCCC2CCCCC2)CC1 ZINC000348138440 378809958 /nfs/dbraw/zinc/80/99/58/378809958.db2.gz SVTJAFNUKQPCNR-UHFFFAOYSA-N 2 1 250.430 3.198 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000346821477 218024972 /nfs/dbraw/zinc/02/49/72/218024972.db2.gz AELAUFNOHNJSLW-OAHLLOKOSA-N 2 1 278.415 3.426 20 0 CGADMP Clc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346827988 218027383 /nfs/dbraw/zinc/02/73/83/218027383.db2.gz NDKKALDZFPANLB-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3F)C[C@H]21 ZINC000346844059 218034775 /nfs/dbraw/zinc/03/47/75/218034775.db2.gz YQPYQODVBCRZGG-BKBBLFNDSA-N 2 1 292.373 3.037 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000346894762 218051512 /nfs/dbraw/zinc/05/15/12/218051512.db2.gz ZAAOIPHKOIYULD-HOTGVXAUSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346850048 218036734 /nfs/dbraw/zinc/03/67/34/218036734.db2.gz PFUWVNBTNLOVRF-ZWKOTPCHSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)C[NH+]1CCCC1 ZINC000274948925 378922829 /nfs/dbraw/zinc/92/28/29/378922829.db2.gz UWSYPFMNHBZSQG-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000346982347 218077640 /nfs/dbraw/zinc/07/76/40/218077640.db2.gz NNLFBUVHCXPEBR-INIZCTEOSA-N 2 1 264.457 3.422 20 0 CGADMP CC(C)C1(C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000638864073 378940085 /nfs/dbraw/zinc/94/00/85/378940085.db2.gz HOWPOIUWWSRLMK-UHFFFAOYSA-N 2 1 294.483 3.047 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346990773 218081567 /nfs/dbraw/zinc/08/15/67/218081567.db2.gz SPXQCTCMXRLQAL-ZFWWWQNUSA-N 2 1 278.827 3.129 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000346997980 218084428 /nfs/dbraw/zinc/08/44/28/218084428.db2.gz DXQQMLIASRVDMP-LBPRGKRZSA-N 2 1 276.355 3.003 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000346997980 218084432 /nfs/dbraw/zinc/08/44/32/218084432.db2.gz DXQQMLIASRVDMP-LBPRGKRZSA-N 2 1 276.355 3.003 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000347055751 218106331 /nfs/dbraw/zinc/10/63/31/218106331.db2.gz UDESNAVJWGGFMD-YJBOKZPZSA-N 2 1 290.451 3.425 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000275666378 378958644 /nfs/dbraw/zinc/95/86/44/378958644.db2.gz YNEHQDLRKRCKJC-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1[NH3+] ZINC000347059490 218107260 /nfs/dbraw/zinc/10/72/60/218107260.db2.gz XERDJPRNMRBOCX-WMLDXEAASA-N 2 1 288.435 3.177 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1[NH3+] ZINC000347059490 218107262 /nfs/dbraw/zinc/10/72/62/218107262.db2.gz XERDJPRNMRBOCX-WMLDXEAASA-N 2 1 288.435 3.177 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@H]1C[NH3+] ZINC000347101850 218120941 /nfs/dbraw/zinc/12/09/41/218120941.db2.gz JZSSYHAVSQFBAF-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@H]1C[NH3+] ZINC000347101850 218120943 /nfs/dbraw/zinc/12/09/43/218120943.db2.gz JZSSYHAVSQFBAF-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP Cc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000370119222 378985816 /nfs/dbraw/zinc/98/58/16/378985816.db2.gz DMBHUGBDAQMDIT-UHFFFAOYSA-N 2 1 258.409 3.102 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccn1 ZINC000348639680 379007359 /nfs/dbraw/zinc/00/73/59/379007359.db2.gz HNHCTCDITBZHOL-CYBMUJFWSA-N 2 1 291.439 3.004 20 0 CGADMP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)c2ccccc12 ZINC000347161953 218142222 /nfs/dbraw/zinc/14/22/22/218142222.db2.gz HWIAZCJSKCEAGZ-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277070807 379061133 /nfs/dbraw/zinc/06/11/33/379061133.db2.gz DQZWFCNNOJXSMJ-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000568049030 322189727 /nfs/dbraw/zinc/18/97/27/322189727.db2.gz KCDBOZKJROTNLV-XHSDSOJGSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277184442 379093767 /nfs/dbraw/zinc/09/37/67/379093767.db2.gz LLECZORWAPXLSI-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c2cccnc12 ZINC000349369131 379254605 /nfs/dbraw/zinc/25/46/05/379254605.db2.gz PJWHXNPMIMQKGF-UHFFFAOYSA-N 2 1 289.398 3.148 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c2cccnc12 ZINC000349369131 379254616 /nfs/dbraw/zinc/25/46/16/379254616.db2.gz PJWHXNPMIMQKGF-UHFFFAOYSA-N 2 1 289.398 3.148 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C)c(OC)c1 ZINC000349382586 379262132 /nfs/dbraw/zinc/26/21/32/379262132.db2.gz JTADMEJJWGUWHE-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C)c(OC)c1 ZINC000349382586 379262137 /nfs/dbraw/zinc/26/21/37/379262137.db2.gz JTADMEJJWGUWHE-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP COc1ccccc1/C=C\C[N@H+](C)CCCn1cc[nH+]c1C ZINC000349380329 379262292 /nfs/dbraw/zinc/26/22/92/379262292.db2.gz DYURDKVKPQIJKB-TWGQIWQCSA-N 2 1 299.418 3.235 20 0 CGADMP COc1ccccc1/C=C\C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000349380329 379262294 /nfs/dbraw/zinc/26/22/94/379262294.db2.gz DYURDKVKPQIJKB-TWGQIWQCSA-N 2 1 299.418 3.235 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000349387781 379264327 /nfs/dbraw/zinc/26/43/27/379264327.db2.gz WOJQJTUASSPMJY-ZBFHGGJFSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000349387781 379264336 /nfs/dbraw/zinc/26/43/36/379264336.db2.gz WOJQJTUASSPMJY-ZBFHGGJFSA-N 2 1 263.429 3.340 20 0 CGADMP CC(C)Oc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000278161370 379304194 /nfs/dbraw/zinc/30/41/94/379304194.db2.gz BMYJONBZZKYLQQ-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000278161370 379304198 /nfs/dbraw/zinc/30/41/98/379304198.db2.gz BMYJONBZZKYLQQ-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000278161370 379304201 /nfs/dbraw/zinc/30/42/01/379304201.db2.gz BMYJONBZZKYLQQ-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510243 379442579 /nfs/dbraw/zinc/44/25/79/379442579.db2.gz ZHGLPJAOZIQORY-RDJZCZTQSA-N 2 1 289.467 3.311 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510243 379442584 /nfs/dbraw/zinc/44/25/84/379442584.db2.gz ZHGLPJAOZIQORY-RDJZCZTQSA-N 2 1 289.467 3.311 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510243 379442588 /nfs/dbraw/zinc/44/25/88/379442588.db2.gz ZHGLPJAOZIQORY-RDJZCZTQSA-N 2 1 289.467 3.311 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510243 379442594 /nfs/dbraw/zinc/44/25/94/379442594.db2.gz ZHGLPJAOZIQORY-RDJZCZTQSA-N 2 1 289.467 3.311 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000374481671 379445951 /nfs/dbraw/zinc/44/59/51/379445951.db2.gz OLEJBZBUAHWRJQ-VDHUWJSZSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000374481671 379445954 /nfs/dbraw/zinc/44/59/54/379445954.db2.gz OLEJBZBUAHWRJQ-VDHUWJSZSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(F)cc(F)c1 ZINC000278951239 194227336 /nfs/dbraw/zinc/22/73/36/194227336.db2.gz LLMHUWCXQCRGKU-NWDGAFQWSA-N 2 1 291.345 3.075 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534014 379457344 /nfs/dbraw/zinc/45/73/44/379457344.db2.gz SVSMNVFEZJGMPI-KSSFIOAISA-N 2 1 289.467 3.169 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534014 379457354 /nfs/dbraw/zinc/45/73/54/379457354.db2.gz SVSMNVFEZJGMPI-KSSFIOAISA-N 2 1 289.467 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534014 379457373 /nfs/dbraw/zinc/45/73/73/379457373.db2.gz SVSMNVFEZJGMPI-KSSFIOAISA-N 2 1 289.467 3.169 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)cc2F)CC[N@H+]1C ZINC000350047103 379488794 /nfs/dbraw/zinc/48/87/94/379488794.db2.gz HXVIYZJLKPSFLL-RRSPZVPKSA-N 2 1 280.362 3.050 20 0 CGADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC1CCC1 ZINC000376559854 379581497 /nfs/dbraw/zinc/58/14/97/379581497.db2.gz ZWZFRHUZNIBSLI-KRWDZBQOSA-N 2 1 294.483 3.144 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC1CCC1 ZINC000376559854 379581503 /nfs/dbraw/zinc/58/15/03/379581503.db2.gz ZWZFRHUZNIBSLI-KRWDZBQOSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000639755181 379570296 /nfs/dbraw/zinc/57/02/96/379570296.db2.gz HIRHFTQQAZDROG-MRXNPFEDSA-N 2 1 262.441 3.293 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757315 379572661 /nfs/dbraw/zinc/57/26/61/379572661.db2.gz FVEFQCUJRLGPFI-CYBMUJFWSA-N 2 1 294.389 3.444 20 0 CGADMP CCC1([NH+](C)C)CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000640016021 379687269 /nfs/dbraw/zinc/68/72/69/379687269.db2.gz QLKRYTXAFZJTDY-QGZVFWFLSA-N 2 1 295.515 3.056 20 0 CGADMP Fc1ccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c2c1 ZINC000377387890 379667972 /nfs/dbraw/zinc/66/79/72/379667972.db2.gz WPVDXVICKQKNAL-ZIAGYGMSSA-N 2 1 285.366 3.413 20 0 CGADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCSCC2)CC1 ZINC000639982997 379673735 /nfs/dbraw/zinc/67/37/35/379673735.db2.gz MIPZWVRUSVJNMP-UHFFFAOYSA-N 2 1 293.480 3.191 20 0 CGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1SC ZINC000352496131 379838457 /nfs/dbraw/zinc/83/84/57/379838457.db2.gz SBLCRGZLOLUQHI-CQSZACIVSA-N 2 1 294.464 3.120 20 0 CGADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1SC ZINC000352496131 379838463 /nfs/dbraw/zinc/83/84/63/379838463.db2.gz SBLCRGZLOLUQHI-CQSZACIVSA-N 2 1 294.464 3.120 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000352541338 379848510 /nfs/dbraw/zinc/84/85/10/379848510.db2.gz WSJRSTDOBFIJJX-QGZVFWFLSA-N 2 1 288.435 3.179 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000352587648 379867902 /nfs/dbraw/zinc/86/79/02/379867902.db2.gz CMMCBAUGFQSXIQ-SFHVURJKSA-N 2 1 272.436 3.446 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)s1 ZINC000352746565 379936050 /nfs/dbraw/zinc/93/60/50/379936050.db2.gz BXTLYTBOOXUJFA-GJZGRUSLSA-N 2 1 293.480 3.263 20 0 CGADMP CC(C)(C)CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410377628 380090276 /nfs/dbraw/zinc/09/02/76/380090276.db2.gz DXYGSXGDPHBBAU-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)C[C@@H](C)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000410345714 380088019 /nfs/dbraw/zinc/08/80/19/380088019.db2.gz SGWOQBWWCGQVOS-OAHLLOKOSA-N 2 1 254.462 3.473 20 0 CGADMP CC[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)OC ZINC000353095328 380113165 /nfs/dbraw/zinc/11/31/65/380113165.db2.gz PHNSQRCXSHJPCX-QGZVFWFLSA-N 2 1 292.467 3.159 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000641802959 380113374 /nfs/dbraw/zinc/11/33/74/380113374.db2.gz QCQJLDVMWGGMGM-ZIAGYGMSSA-N 2 1 289.810 3.104 20 0 CGADMP CCCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000642341880 380167746 /nfs/dbraw/zinc/16/77/46/380167746.db2.gz OJRPXAIQURDEAC-KRWDZBQOSA-N 2 1 272.436 3.213 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000414082990 380189203 /nfs/dbraw/zinc/18/92/03/380189203.db2.gz WONFLGVRJAVRCQ-QGTPRVQTSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000414082990 380189208 /nfs/dbraw/zinc/18/92/08/380189208.db2.gz WONFLGVRJAVRCQ-QGTPRVQTSA-N 2 1 288.435 3.281 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2C[C@H]2C)c1 ZINC000414109220 380191444 /nfs/dbraw/zinc/19/14/44/380191444.db2.gz GYYDVZFLRYRBAM-CPUCHLNUSA-N 2 1 260.425 3.272 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C)c1 ZINC000286347581 380200170 /nfs/dbraw/zinc/20/01/70/380200170.db2.gz ZDDSVWSOMLETMU-QGZVFWFLSA-N 2 1 258.409 3.298 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353521997 380210121 /nfs/dbraw/zinc/21/01/21/380210121.db2.gz RHXIRGZMBXEDDG-ZVDSWSACSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)n1nccc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000353928879 380240872 /nfs/dbraw/zinc/24/08/72/380240872.db2.gz MCUQYVBKQYEQGQ-INIZCTEOSA-N 2 1 292.471 3.208 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000643498806 380320610 /nfs/dbraw/zinc/32/06/10/380320610.db2.gz BSIHXZOHLOVSSP-CQSZACIVSA-N 2 1 256.340 3.005 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000354101015 380324907 /nfs/dbraw/zinc/32/49/07/380324907.db2.gz QFWCLJWLQGNPCU-CQSZACIVSA-N 2 1 294.389 3.129 20 0 CGADMP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CC[NH2+]C3CC3)C2)cc1 ZINC000643508021 380332365 /nfs/dbraw/zinc/33/23/65/380332365.db2.gz ZWKTYFGGJDOLHP-CZUORRHYSA-N 2 1 278.827 3.318 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548605 380365240 /nfs/dbraw/zinc/36/52/40/380365240.db2.gz RUFZAHIJUXOCRR-RYUDHWBXSA-N 2 1 280.437 3.082 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])Cc1cccc(Br)c1 ZINC000414677143 380367244 /nfs/dbraw/zinc/36/72/44/380367244.db2.gz ONLIBAQLYGQWJG-UHFFFAOYSA-N 2 1 285.229 3.008 20 0 CGADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000414682510 380370408 /nfs/dbraw/zinc/37/04/08/380370408.db2.gz RINIILLFKXTJTM-INIZCTEOSA-N 2 1 260.425 3.082 20 0 CGADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000414682510 380370412 /nfs/dbraw/zinc/37/04/12/380370412.db2.gz RINIILLFKXTJTM-INIZCTEOSA-N 2 1 260.425 3.082 20 0 CGADMP COc1ccc(C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C2CC2)cc1 ZINC000414683078 380370723 /nfs/dbraw/zinc/37/07/23/380370723.db2.gz SMLUSAXHXIQOBV-ZBFHGGJFSA-N 2 1 288.435 3.048 20 0 CGADMP COc1ccc(C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C2CC2)cc1 ZINC000414683075 380370863 /nfs/dbraw/zinc/37/08/63/380370863.db2.gz SMLUSAXHXIQOBV-GDBMZVCRSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](CCc2cccc(F)c2)C2CC2)CC[NH2+]1 ZINC000414696358 380378097 /nfs/dbraw/zinc/37/80/97/380378097.db2.gz HIQXFLUBYBVBDK-ZBFHGGJFSA-N 2 1 290.426 3.221 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)c1cccc(OC)c1 ZINC000414704685 380380962 /nfs/dbraw/zinc/38/09/62/380380962.db2.gz MRADQVNFWXGAPY-HRCADAONSA-N 2 1 290.451 3.466 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000414707753 380381901 /nfs/dbraw/zinc/38/19/01/380381901.db2.gz NFZVEJNWOKUBOR-GFCCVEGCSA-N 2 1 270.367 3.163 20 0 CGADMP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414730231 380389372 /nfs/dbraw/zinc/38/93/72/380389372.db2.gz AJOMIGWSEXWBFH-WWGRRREGSA-N 2 1 298.858 3.379 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414745397 380390657 /nfs/dbraw/zinc/39/06/57/380390657.db2.gz XNNKPPGCMXVIOU-KSZLIROESA-N 2 1 272.436 3.168 20 0 CGADMP C[C@H](C[N@@H+](C)CCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000414746078 380391219 /nfs/dbraw/zinc/39/12/19/380391219.db2.gz QCBYEMASUJHLSC-SNVBAGLBSA-N 2 1 291.222 3.041 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC[NH2+]1 ZINC000414754442 380393105 /nfs/dbraw/zinc/39/31/05/380393105.db2.gz FZZOQRNDESBCBU-AGIUHOORSA-N 2 1 292.389 3.285 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000643527753 380343056 /nfs/dbraw/zinc/34/30/56/380343056.db2.gz RVPKOFMPWXDGMH-ZANVPECISA-N 2 1 297.240 3.108 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000643528526 380344660 /nfs/dbraw/zinc/34/46/60/380344660.db2.gz KQKRRNRHCPCUTG-NXEZZACHSA-N 2 1 274.380 3.042 20 0 CGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528864 380344687 /nfs/dbraw/zinc/34/46/87/380344687.db2.gz QGKNOVWKMDOZDT-VXGBXAGGSA-N 2 1 289.448 3.425 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000643528076 380345597 /nfs/dbraw/zinc/34/55/97/380345597.db2.gz YQTXSIDBELFMGA-SMDDNHRTSA-N 2 1 299.256 3.473 20 0 CGADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643529292 380346655 /nfs/dbraw/zinc/34/66/55/380346655.db2.gz YFMQQEYMVXZHLL-MNOVXSKESA-N 2 1 275.421 3.116 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414655663 380355206 /nfs/dbraw/zinc/35/52/06/380355206.db2.gz DSXPCNIAPBOIDC-CIRFHOKZSA-N 2 1 272.436 3.166 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000643543544 380357158 /nfs/dbraw/zinc/35/71/58/380357158.db2.gz ZKEFYHLKPBUJNG-HIFRSBDPSA-N 2 1 266.454 3.176 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1F ZINC000643546080 380360143 /nfs/dbraw/zinc/36/01/43/380360143.db2.gz IDYSCCCTHMVHNR-AAEUAGOBSA-N 2 1 280.362 3.290 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414672263 380363335 /nfs/dbraw/zinc/36/33/35/380363335.db2.gz AQADABKHLYYQOB-ILXRZTDVSA-N 2 1 276.424 3.076 20 0 CGADMP CC(C)C[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000414812833 380424598 /nfs/dbraw/zinc/42/45/98/380424598.db2.gz PQUJQYGTYMKFOH-SJORKVTESA-N 2 1 260.425 3.143 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414819657 380429647 /nfs/dbraw/zinc/42/96/47/380429647.db2.gz ZHHWHEUVTGABMY-ISZGNANSSA-N 2 1 268.351 3.085 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414819508 380430716 /nfs/dbraw/zinc/43/07/16/380430716.db2.gz YXLUSARJBLLGJR-SFHVURJKSA-N 2 1 283.419 3.356 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000414835759 380443859 /nfs/dbraw/zinc/44/38/59/380443859.db2.gz HSXPGBKMKKCRSH-MXASKKJJSA-N 2 1 260.425 3.142 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000414839510 380445260 /nfs/dbraw/zinc/44/52/60/380445260.db2.gz LJONPDMKUHFDGC-LAQIPUCWSA-N 2 1 276.399 3.336 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(F)cc(F)c2)CCCCCC1 ZINC000414856482 380458025 /nfs/dbraw/zinc/45/80/25/380458025.db2.gz ALQPPZWGILAJHN-UHFFFAOYSA-N 2 1 268.351 3.106 20 0 CGADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000414837722 380446320 /nfs/dbraw/zinc/44/63/20/380446320.db2.gz JQKUKPZUOCMPBC-OAHLLOKOSA-N 2 1 296.842 3.346 20 0 CGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1C ZINC000414840017 380448516 /nfs/dbraw/zinc/44/85/16/380448516.db2.gz MBNRQXRHHHAQOQ-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(Br)c2)CCCCC1 ZINC000414843878 380449976 /nfs/dbraw/zinc/44/99/76/380449976.db2.gz OXAHTVCEZUBOCT-UHFFFAOYSA-N 2 1 297.240 3.200 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000414843862 380450170 /nfs/dbraw/zinc/45/01/70/380450170.db2.gz OUUZWPAIWNFYMY-UHFFFAOYSA-N 2 1 286.341 3.457 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2)CCCCC1 ZINC000414844288 380450222 /nfs/dbraw/zinc/45/02/22/380450222.db2.gz PIVPDNGDHUBDDI-UHFFFAOYSA-N 2 1 297.240 3.200 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cnc2ccccc2c1)C1CCCCC1 ZINC000414852087 380453046 /nfs/dbraw/zinc/45/30/46/380453046.db2.gz QFUPDEFMORLNAF-SFHVURJKSA-N 2 1 283.419 3.232 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772474 380399128 /nfs/dbraw/zinc/39/91/28/380399128.db2.gz BUQLWKFSLZTLPS-HZPDHXFCSA-N 2 1 284.403 3.254 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414786233 380404617 /nfs/dbraw/zinc/40/46/17/380404617.db2.gz UICXMGWHVWLGOZ-KBAYOESNSA-N 2 1 272.436 3.112 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414803984 380416143 /nfs/dbraw/zinc/41/61/43/380416143.db2.gz DMTGTRGLDJQGIS-UHFFFAOYSA-N 2 1 290.329 3.192 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000414803793 380416726 /nfs/dbraw/zinc/41/67/26/380416726.db2.gz OBGMLRFYDLMHKM-OAHLLOKOSA-N 2 1 272.417 3.242 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(SC)cc1 ZINC000414805167 380417732 /nfs/dbraw/zinc/41/77/32/380417732.db2.gz AETPJGXZQUNKIB-ZDUSSCGKSA-N 2 1 252.427 3.016 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000414808328 380419995 /nfs/dbraw/zinc/41/99/95/380419995.db2.gz SEUPAEXKDUSYBB-GFCCVEGCSA-N 2 1 292.732 3.186 20 0 CGADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)cc1 ZINC000414809741 380422258 /nfs/dbraw/zinc/42/22/58/380422258.db2.gz MYCASVWKOZVDGR-SNVBAGLBSA-N 2 1 294.320 3.413 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[NH2+]1 ZINC000414942967 380499497 /nfs/dbraw/zinc/49/94/97/380499497.db2.gz DXHOIJYBDCJDPT-DGCLKSJQSA-N 2 1 279.453 3.031 20 0 CGADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414946248 380501819 /nfs/dbraw/zinc/50/18/19/380501819.db2.gz SFWJWNCIRCSPJO-JQFCIGGWSA-N 2 1 276.424 3.047 20 0 CGADMP COc1ccc(C2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414861076 380462258 /nfs/dbraw/zinc/46/22/58/380462258.db2.gz DWEVEUBHCYBLQL-PREGVCBESA-N 2 1 288.435 3.063 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000355337547 380648761 /nfs/dbraw/zinc/64/87/61/380648761.db2.gz XFBIGTTVVGTUHK-QWRGUYRKSA-N 2 1 254.340 3.037 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC34CC4)CC2)cc1 ZINC000417367475 380611735 /nfs/dbraw/zinc/61/17/35/380611735.db2.gz PUAOKXQKLIEUOO-INIZCTEOSA-N 2 1 270.420 3.041 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000417956580 380688141 /nfs/dbraw/zinc/68/81/41/380688141.db2.gz ATMGNWLAIIFOQA-KRWDZBQOSA-N 2 1 290.451 3.184 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000646050415 380810398 /nfs/dbraw/zinc/81/03/98/380810398.db2.gz FBYZEVZBSKHMBG-HZPDHXFCSA-N 2 1 275.440 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000646050415 380810401 /nfs/dbraw/zinc/81/04/01/380810401.db2.gz FBYZEVZBSKHMBG-HZPDHXFCSA-N 2 1 275.440 3.340 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C2CC2)cc1 ZINC000419349105 380811980 /nfs/dbraw/zinc/81/19/80/380811980.db2.gz YFLTYMGPVUELED-ZDUSSCGKSA-N 2 1 269.392 3.191 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421335224 380880276 /nfs/dbraw/zinc/88/02/76/380880276.db2.gz RWDQCGQVAFACNO-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420298869 380844723 /nfs/dbraw/zinc/84/47/23/380844723.db2.gz IDRDOPYBBNYGGZ-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000358337931 381305480 /nfs/dbraw/zinc/30/54/80/381305480.db2.gz GCLOZMGVWKTBCI-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000358337931 381305490 /nfs/dbraw/zinc/30/54/90/381305490.db2.gz GCLOZMGVWKTBCI-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)(C[NH2+]Cc1ccccc1F)C[NH+]1CCCC1 ZINC000360166045 381465440 /nfs/dbraw/zinc/46/54/40/381465440.db2.gz NYSIKAGGGMZHTJ-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334869064 207214463 /nfs/dbraw/zinc/21/44/63/207214463.db2.gz OKKGBWBHKNDVLZ-KBPBESRZSA-N 2 1 264.438 3.021 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000334866679 207213412 /nfs/dbraw/zinc/21/34/12/207213412.db2.gz BPPXPJYHAMKKEL-MJGOQNOKSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC000361538953 381790933 /nfs/dbraw/zinc/79/09/33/381790933.db2.gz CLTPLMYPRALBCG-AWEZNQCLSA-N 2 1 263.429 3.388 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)nc1 ZINC000362344315 381949824 /nfs/dbraw/zinc/94/98/24/381949824.db2.gz YLNXQLIVDDPBPU-UBHSHLNASA-N 2 1 279.815 3.012 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)nc1 ZINC000362344315 381949827 /nfs/dbraw/zinc/94/98/27/381949827.db2.gz YLNXQLIVDDPBPU-UBHSHLNASA-N 2 1 279.815 3.012 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CS1 ZINC000365209827 382283631 /nfs/dbraw/zinc/28/36/31/382283631.db2.gz YZBVATVDKWQVRT-PSAQHYCVSA-N 2 1 282.497 3.121 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CS1 ZINC000365209827 382283638 /nfs/dbraw/zinc/28/36/38/382283638.db2.gz YZBVATVDKWQVRT-PSAQHYCVSA-N 2 1 282.497 3.121 20 0 CGADMP C[C@H](Cc1ccccc1)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000235463988 542311167 /nfs/dbraw/zinc/31/11/67/542311167.db2.gz QRSZJTHEDLTYEB-MRXNPFEDSA-N 2 1 268.404 3.079 20 0 CGADMP C[C@H](Cc1ccccc1)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000235463988 542311171 /nfs/dbraw/zinc/31/11/71/542311171.db2.gz QRSZJTHEDLTYEB-MRXNPFEDSA-N 2 1 268.404 3.079 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127238 382334719 /nfs/dbraw/zinc/33/47/19/382334719.db2.gz RILJVDPSHXOIFG-GBBGEASQSA-N 2 1 284.447 3.395 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368752911 382382027 /nfs/dbraw/zinc/38/20/27/382382027.db2.gz FSHXGMDFJDWCPU-OTWHNJEPSA-N 2 1 286.463 3.470 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250531235 542343093 /nfs/dbraw/zinc/34/30/93/542343093.db2.gz LEAQSKYLBXKSIV-WMLDXEAASA-N 2 1 284.403 3.397 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1ccccc1F ZINC000281009271 195066587 /nfs/dbraw/zinc/06/65/87/195066587.db2.gz OBYVEKRKCKTDAH-JKIFEVAISA-N 2 1 278.415 3.077 20 0 CGADMP COc1ccccc1[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1CCCC1 ZINC000423437136 533021307 /nfs/dbraw/zinc/02/13/07/533021307.db2.gz GCVRXSXHPHWWKE-GDZNZVCISA-N 2 1 276.424 3.252 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc3ccccc3c1)CC[NH2+]CC2 ZINC000335275604 208079842 /nfs/dbraw/zinc/07/98/42/208079842.db2.gz CKZDEYPPKYFXLJ-OAHLLOKOSA-N 2 1 295.430 3.199 20 0 CGADMP CC[N@H+](CCC1CC[NH+](Cc2cocn2)CC1)CC(C)C ZINC000349411456 218865988 /nfs/dbraw/zinc/86/59/88/218865988.db2.gz XHQLOBSOXYCAMI-UHFFFAOYSA-N 2 1 293.455 3.255 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](Cc2cocn2)CC1)CC(C)C ZINC000349411456 218865989 /nfs/dbraw/zinc/86/59/89/218865989.db2.gz XHQLOBSOXYCAMI-UHFFFAOYSA-N 2 1 293.455 3.255 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745336 220294544 /nfs/dbraw/zinc/29/45/44/220294544.db2.gz JCFIHWPFSFKPIL-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745336 220294549 /nfs/dbraw/zinc/29/45/49/220294549.db2.gz JCFIHWPFSFKPIL-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745336 220294556 /nfs/dbraw/zinc/29/45/56/220294556.db2.gz JCFIHWPFSFKPIL-HNAYVOBHSA-N 2 1 286.463 3.337 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C)C[C@H]1C ZINC000353745848 220297470 /nfs/dbraw/zinc/29/74/70/220297470.db2.gz BEVADTWXVUFKTB-NVXWUHKLSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C)C[C@H]1C ZINC000353745848 220297472 /nfs/dbraw/zinc/29/74/72/220297472.db2.gz BEVADTWXVUFKTB-NVXWUHKLSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C[C@H]1C ZINC000353745848 220297474 /nfs/dbraw/zinc/29/74/74/220297474.db2.gz BEVADTWXVUFKTB-NVXWUHKLSA-N 2 1 260.425 3.300 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccs2)C[C@H]1C ZINC000353751178 220306225 /nfs/dbraw/zinc/30/62/25/220306225.db2.gz IYOUFZLNIPQXMN-CHWSQXEVSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccs2)C[C@H]1C ZINC000353751178 220306230 /nfs/dbraw/zinc/30/62/30/220306230.db2.gz IYOUFZLNIPQXMN-CHWSQXEVSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccs2)C[C@H]1C ZINC000353751178 220306232 /nfs/dbraw/zinc/30/62/32/220306232.db2.gz IYOUFZLNIPQXMN-CHWSQXEVSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccs2)C[C@H]1C ZINC000353751178 220306234 /nfs/dbraw/zinc/30/62/34/220306234.db2.gz IYOUFZLNIPQXMN-CHWSQXEVSA-N 2 1 252.427 3.053 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353773838 220322896 /nfs/dbraw/zinc/32/28/96/220322896.db2.gz FEFDTGIKWMHZNN-LMSBXDPUSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353773838 220322899 /nfs/dbraw/zinc/32/28/99/220322899.db2.gz FEFDTGIKWMHZNN-LMSBXDPUSA-N 2 1 272.436 3.428 20 0 CGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ncc[nH]2)c1 ZINC000285561090 542387850 /nfs/dbraw/zinc/38/78/50/542387850.db2.gz HEPNUGUNECOHGP-CQSZACIVSA-N 2 1 286.423 3.102 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000285645130 542388243 /nfs/dbraw/zinc/38/82/43/542388243.db2.gz MAAGTKNWPHFPFF-CQSZACIVSA-N 2 1 286.423 3.101 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000285645130 542388246 /nfs/dbraw/zinc/38/82/46/542388246.db2.gz MAAGTKNWPHFPFF-CQSZACIVSA-N 2 1 286.423 3.101 20 0 CGADMP c1ccc(Oc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000316554214 542437596 /nfs/dbraw/zinc/43/75/96/542437596.db2.gz DTUBLDYQGPKEMH-IRXDYDNUSA-N 2 1 294.398 3.130 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[C@H]1C ZINC000322226395 542440313 /nfs/dbraw/zinc/44/03/13/542440313.db2.gz YNWKSWILCYGYIA-SQABHXLBSA-N 2 1 250.430 3.026 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1C ZINC000322226395 542440317 /nfs/dbraw/zinc/44/03/17/542440317.db2.gz YNWKSWILCYGYIA-SQABHXLBSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000423404196 533524793 /nfs/dbraw/zinc/52/47/93/533524793.db2.gz ZAVQXVVSVVOWEP-CKYFFXLPSA-N 2 1 270.779 3.270 20 0 CGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2)s1 ZINC000423431866 533531529 /nfs/dbraw/zinc/53/15/29/533531529.db2.gz LZNRFQISUOUIIL-CVGURMSBSA-N 2 1 284.428 3.284 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)c(F)c1 ZINC000423503505 533510811 /nfs/dbraw/zinc/51/08/11/533510811.db2.gz FVWXQEXKUJGZTC-BMIGLBTASA-N 2 1 268.351 3.133 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423515830 533520087 /nfs/dbraw/zinc/52/00/87/533520087.db2.gz VUYQQFBPOCYBHO-GTPINHCMSA-N 2 1 295.515 3.007 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC000380500559 542595263 /nfs/dbraw/zinc/59/52/63/542595263.db2.gz XSEUSSWHXGFVGI-WMZOPIPTSA-N 2 1 270.420 3.125 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Cl ZINC000388961537 542607319 /nfs/dbraw/zinc/60/73/19/542607319.db2.gz NFCDOTSAUZVSSE-HOCLYGCPSA-N 2 1 278.827 3.209 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000414919959 542639801 /nfs/dbraw/zinc/63/98/01/542639801.db2.gz WFMZGWXQNYVPLU-MNOVXSKESA-N 2 1 270.779 3.147 20 0 CGADMP c1cc2c(o1)CCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000123910072 285455463 /nfs/dbraw/zinc/45/54/63/285455463.db2.gz PMEMTQZBXYIEKN-HNNXBMFYSA-N 2 1 262.397 3.123 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)c(C)s1 ZINC000049685157 392056475 /nfs/dbraw/zinc/05/64/75/392056475.db2.gz OFEUJACHUVMAGA-UHFFFAOYSA-N 2 1 266.454 3.331 20 0 CGADMP FC(F)(F)C1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000068635171 392167245 /nfs/dbraw/zinc/16/72/45/392167245.db2.gz QRCAKAMCIWQCKT-PNESKVBLSA-N 2 1 290.373 3.181 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000069381536 392172559 /nfs/dbraw/zinc/17/25/59/392172559.db2.gz XVZBCEBEMIZELN-XQQFMLRXSA-N 2 1 290.373 3.181 20 0 CGADMP CC(C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821452 392232252 /nfs/dbraw/zinc/23/22/52/392232252.db2.gz KKXHZLBBTADVTE-UHFFFAOYSA-N 2 1 261.413 3.028 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCCO2 ZINC000361773458 392320806 /nfs/dbraw/zinc/32/08/06/392320806.db2.gz PTCXYMAOTSDTET-YQQAZPJKSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCCO2 ZINC000361773458 392320811 /nfs/dbraw/zinc/32/08/11/392320811.db2.gz PTCXYMAOTSDTET-YQQAZPJKSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000237578313 131043816 /nfs/dbraw/zinc/04/38/16/131043816.db2.gz AMMATVGEELCMHO-WWGRRREGSA-N 2 1 287.407 3.334 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245573319 131087156 /nfs/dbraw/zinc/08/71/56/131087156.db2.gz AECWQADFTCRORR-GJZGRUSLSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245573319 131087158 /nfs/dbraw/zinc/08/71/58/131087158.db2.gz AECWQADFTCRORR-GJZGRUSLSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000247211153 131102547 /nfs/dbraw/zinc/10/25/47/131102547.db2.gz VSWSGZCFMTVTFS-ZQIUZPCESA-N 2 1 299.418 3.256 20 0 CGADMP COC[C@]1(C[NH2+][C@H]2CC[C@@H](C)c3ccsc32)CCC[NH2+]1 ZINC000423411574 285488254 /nfs/dbraw/zinc/48/82/54/285488254.db2.gz GAFZTMYRYAEQBI-IVMMDQJWSA-N 2 1 294.464 3.045 20 0 CGADMP CC/C=C\C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453326504 542681439 /nfs/dbraw/zinc/68/14/39/542681439.db2.gz SGXUSWXDKQTWMM-YFKBFVAJSA-N 2 1 258.409 3.378 20 0 CGADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453326504 542681444 /nfs/dbraw/zinc/68/14/44/542681444.db2.gz SGXUSWXDKQTWMM-YFKBFVAJSA-N 2 1 258.409 3.378 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000158605766 392571806 /nfs/dbraw/zinc/57/18/06/392571806.db2.gz UBTRFJKPTGJFRO-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000158605766 392571812 /nfs/dbraw/zinc/57/18/12/392571812.db2.gz UBTRFJKPTGJFRO-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000158605766 392571819 /nfs/dbraw/zinc/57/18/19/392571819.db2.gz UBTRFJKPTGJFRO-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000158605766 392571823 /nfs/dbraw/zinc/57/18/23/392571823.db2.gz UBTRFJKPTGJFRO-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000300239892 392581640 /nfs/dbraw/zinc/58/16/40/392581640.db2.gz NFEAOUXWIVOEMX-FZKCQIBNSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000300239892 392581642 /nfs/dbraw/zinc/58/16/42/392581642.db2.gz NFEAOUXWIVOEMX-FZKCQIBNSA-N 2 1 252.446 3.131 20 0 CGADMP COc1ccccc1C[C@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000162063686 392590769 /nfs/dbraw/zinc/59/07/69/392590769.db2.gz JZZFCDXICVDPED-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000162063686 392590775 /nfs/dbraw/zinc/59/07/75/392590775.db2.gz JZZFCDXICVDPED-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)C(C)C ZINC000162285684 392594095 /nfs/dbraw/zinc/59/40/95/392594095.db2.gz POGIJQYEJWIUMX-INIZCTEOSA-N 2 1 290.455 3.086 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224557 392602282 /nfs/dbraw/zinc/60/22/82/392602282.db2.gz GUTMZMCBGMCUIY-YJBOKZPZSA-N 2 1 290.451 3.468 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)s1 ZINC000163220739 392602382 /nfs/dbraw/zinc/60/23/82/392602382.db2.gz DSTINDWHTDSNHM-DGCLKSJQSA-N 2 1 281.469 3.006 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1 ZINC000163232643 392602783 /nfs/dbraw/zinc/60/27/83/392602783.db2.gz QYMFFOJYHJNZSI-PBHICJAKSA-N 2 1 276.424 3.078 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)CCC2 ZINC000163265281 392604923 /nfs/dbraw/zinc/60/49/23/392604923.db2.gz WBWHLHBOHQYVNR-CHWSQXEVSA-N 2 1 293.480 3.014 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000166393374 392608191 /nfs/dbraw/zinc/60/81/91/392608191.db2.gz IAUWAJQRCDQRFA-GRDNDAEWSA-N 2 1 272.436 3.481 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000166393374 392608198 /nfs/dbraw/zinc/60/81/98/392608198.db2.gz IAUWAJQRCDQRFA-GRDNDAEWSA-N 2 1 272.436 3.481 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]1C ZINC000647343752 392693368 /nfs/dbraw/zinc/69/33/68/392693368.db2.gz BQGTXIQUDZIELD-DZRGKWQISA-N 2 1 286.463 3.356 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331106562 392694901 /nfs/dbraw/zinc/69/49/01/392694901.db2.gz GRIQSLQUVIFXLH-RBSFLKMASA-N 2 1 295.471 3.038 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000647283156 392634906 /nfs/dbraw/zinc/63/49/06/392634906.db2.gz NJTHKFVCCNKNTN-KURKYZTESA-N 2 1 287.451 3.385 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647288713 392639534 /nfs/dbraw/zinc/63/95/34/392639534.db2.gz LTDRHQPSTKUDDP-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP c1ccc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000372898834 392645564 /nfs/dbraw/zinc/64/55/64/392645564.db2.gz WUEJHXYSALXCOT-GOSISDBHSA-N 2 1 288.435 3.016 20 0 CGADMP c1ccc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000372898834 392645566 /nfs/dbraw/zinc/64/55/66/392645566.db2.gz WUEJHXYSALXCOT-GOSISDBHSA-N 2 1 288.435 3.016 20 0 CGADMP C[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310746708 392660290 /nfs/dbraw/zinc/66/02/90/392660290.db2.gz IZQSNSRNALEQDR-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000647343758 392692863 /nfs/dbraw/zinc/69/28/63/392692863.db2.gz BSFQTCYYGMRUIN-LZQZEXGQSA-N 2 1 295.430 3.078 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479357 392735299 /nfs/dbraw/zinc/73/52/99/392735299.db2.gz DITLJAFGLPEFLG-AEFFLSMTSA-N 2 1 286.463 3.428 20 0 CGADMP Cc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc2cccnc12 ZINC000647482482 392737223 /nfs/dbraw/zinc/73/72/23/392737223.db2.gz IVIWLNUFSWNZOQ-UHFFFAOYSA-N 2 1 295.430 3.260 20 0 CGADMP COc1c(C)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1C ZINC000647482913 392737779 /nfs/dbraw/zinc/73/77/79/392737779.db2.gz JFRZQNKEOBLEMZ-UHFFFAOYSA-N 2 1 288.435 3.028 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000647485288 392738837 /nfs/dbraw/zinc/73/88/37/392738837.db2.gz MEWOGGZGXGSIFF-GJZGRUSLSA-N 2 1 252.446 3.134 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1[NH3+] ZINC000647497412 392740660 /nfs/dbraw/zinc/74/06/60/392740660.db2.gz GTMQNZCGVAHNLT-AEFFLSMTSA-N 2 1 288.435 3.035 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647497766 392740720 /nfs/dbraw/zinc/74/07/20/392740720.db2.gz UEESPMZTYAJETG-HOCLYGCPSA-N 2 1 278.465 3.358 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000647498263 392742582 /nfs/dbraw/zinc/74/25/82/392742582.db2.gz DHUBAMACWOOYBM-KFWWJZLASA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)(C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000647511759 392744118 /nfs/dbraw/zinc/74/41/18/392744118.db2.gz AORWEHCURLACLL-UAGQMJEPSA-N 2 1 272.436 3.023 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543845 392759883 /nfs/dbraw/zinc/75/98/83/392759883.db2.gz SUMMCEFSSNDDOR-CABCVRRESA-N 2 1 294.389 3.176 20 0 CGADMP Fc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543784 392760787 /nfs/dbraw/zinc/76/07/87/392760787.db2.gz RYUNEGRGAHEIQR-LSDHHAIUSA-N 2 1 294.389 3.176 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000647552736 392765527 /nfs/dbraw/zinc/76/55/27/392765527.db2.gz UJAXDYRLXBVOJQ-NEPJUHHUSA-N 2 1 275.421 3.026 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]Cc1scnc1C1CC1)C(C)(C)C ZINC000487279769 542710796 /nfs/dbraw/zinc/71/07/96/542710796.db2.gz OPFDWTODHQFZPL-AWEZNQCLSA-N 2 1 295.496 3.477 20 0 CGADMP CC[C@H]1C[N@@H+](CCSc2ccc(C)c(C)c2)CC[C@H]1[NH3+] ZINC000647936792 392837544 /nfs/dbraw/zinc/83/75/44/392837544.db2.gz LMGQLHROUVSZGJ-DOTOQJQBSA-N 2 1 292.492 3.455 20 0 CGADMP CC[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000647936950 392837657 /nfs/dbraw/zinc/83/76/57/392837657.db2.gz NZNGBHMWLOXYLF-LPHOPBHVSA-N 2 1 282.431 3.442 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647874851 392821389 /nfs/dbraw/zinc/82/13/89/392821389.db2.gz DEPPOQGRBDUSRT-STQMWFEESA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647874851 392821394 /nfs/dbraw/zinc/82/13/94/392821394.db2.gz DEPPOQGRBDUSRT-STQMWFEESA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647881233 392822460 /nfs/dbraw/zinc/82/24/60/392822460.db2.gz XJSZEJZCERJIJH-STQMWFEESA-N 2 1 278.827 3.475 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647884468 392824553 /nfs/dbraw/zinc/82/45/53/392824553.db2.gz UDBKVDXHUCRNJP-OAHLLOKOSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@H+]1CCCC12CCN(Cc1ccccc1Cl)CC2 ZINC000375818200 392824816 /nfs/dbraw/zinc/82/48/16/392824816.db2.gz WBENPXDHQCZCER-UHFFFAOYSA-N 2 1 278.827 3.400 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957087 392843662 /nfs/dbraw/zinc/84/36/62/392843662.db2.gz MSYGXTDOKNPYEL-ZWKOTPCHSA-N 2 1 270.420 3.140 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000647889320 392826507 /nfs/dbraw/zinc/82/65/07/392826507.db2.gz GAIHOTSIHKQTSI-MSOLQXFVSA-N 2 1 274.452 3.248 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000647889401 392827149 /nfs/dbraw/zinc/82/71/49/392827149.db2.gz NIOBKUWNPXBZRT-CVEARBPZSA-N 2 1 282.497 3.126 20 0 CGADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337998520 392895928 /nfs/dbraw/zinc/89/59/28/392895928.db2.gz NVAPBMKLCFLBLG-FZKCQIBNSA-N 2 1 268.420 3.121 20 0 CGADMP CO[C@H](C[N@@H+](CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000379214144 392900999 /nfs/dbraw/zinc/90/09/99/392900999.db2.gz OAQWXSMXRWWZKW-LJQANCHMSA-N 2 1 298.430 3.225 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381500816 392909435 /nfs/dbraw/zinc/90/94/35/392909435.db2.gz JDLIITIGFKIPSN-AMPGOEKISA-N 2 1 264.457 3.133 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338790892 392928957 /nfs/dbraw/zinc/92/89/57/392928957.db2.gz JIHRFMLEDBNFBV-QGTPRVQTSA-N 2 1 270.420 3.030 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000194855789 392941747 /nfs/dbraw/zinc/94/17/47/392941747.db2.gz ZQSNQOGHTXERFL-UONOGXRCSA-N 2 1 278.465 3.401 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459796694 392955139 /nfs/dbraw/zinc/95/51/39/392955139.db2.gz WFWAQYONKSUQKM-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459792614 392954968 /nfs/dbraw/zinc/95/49/68/392954968.db2.gz STGSUYDFZLBDPP-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](CC)CC)CCO1 ZINC000648416089 393005993 /nfs/dbraw/zinc/00/59/93/393005993.db2.gz NTIKDABHUGMVCI-YESZJQIVSA-N 2 1 284.488 3.290 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000232508444 393026318 /nfs/dbraw/zinc/02/63/18/393026318.db2.gz VPAPXXDHURGJFT-KRWDZBQOSA-N 2 1 260.425 3.155 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000415003353 393087450 /nfs/dbraw/zinc/08/74/50/393087450.db2.gz FVMJXYQKSGIDSS-VXGBXAGGSA-N 2 1 260.406 3.240 20 0 CGADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000347781852 393109189 /nfs/dbraw/zinc/10/91/89/393109189.db2.gz KXEHLURXCZVIQP-HOCLYGCPSA-N 2 1 263.429 3.157 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1Oc1cccnc1 ZINC000415011970 393095455 /nfs/dbraw/zinc/09/54/55/393095455.db2.gz RRAXKWTUCIJRQA-KBPBESRZSA-N 2 1 285.391 3.008 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414981180 393076983 /nfs/dbraw/zinc/07/69/83/393076983.db2.gz QMTFUCALDDXBKN-LBPRGKRZSA-N 2 1 278.396 3.381 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050044 393112873 /nfs/dbraw/zinc/11/28/73/393112873.db2.gz IDBUKTLJVRMQMW-VYMRPNJYSA-N 2 1 295.515 3.007 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415056612 393118281 /nfs/dbraw/zinc/11/82/81/393118281.db2.gz SRGFUSYECKQUQO-CADBVGFASA-N 2 1 284.447 3.254 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063693 393124638 /nfs/dbraw/zinc/12/46/38/393124638.db2.gz ITYQVVBQDKGPFF-ZQIUZPCESA-N 2 1 260.425 3.286 20 0 CGADMP C[C@@H](CCc1ccsc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415067054 393125861 /nfs/dbraw/zinc/12/58/61/393125861.db2.gz OVVLIJFOGGTAOI-WFASDCNBSA-N 2 1 266.454 3.176 20 0 CGADMP c1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415083387 393135671 /nfs/dbraw/zinc/13/56/71/393135671.db2.gz NGXATOPDHLAQSF-RBUKOAKNSA-N 2 1 280.415 3.312 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000261597153 393140415 /nfs/dbraw/zinc/14/04/15/393140415.db2.gz OUGXMFVCLFSYCL-CYBMUJFWSA-N 2 1 274.330 3.168 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000261597155 393141460 /nfs/dbraw/zinc/14/14/60/393141460.db2.gz OUGXMFVCLFSYCL-ZDUSSCGKSA-N 2 1 274.330 3.168 20 0 CGADMP FC(F)(F)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CCC2 ZINC000261630883 393141735 /nfs/dbraw/zinc/14/17/35/393141735.db2.gz CMKGCAOCRZCWEZ-QWHCGFSZSA-N 2 1 290.373 3.041 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415125529 393154173 /nfs/dbraw/zinc/15/41/73/393154173.db2.gz LLAQFCHRJBWKDS-DOTOQJQBSA-N 2 1 290.451 3.282 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000415139379 393156297 /nfs/dbraw/zinc/15/62/97/393156297.db2.gz WQPPFHJETDMARV-UHFFFAOYSA-N 2 1 299.418 3.224 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000415139379 393156300 /nfs/dbraw/zinc/15/63/00/393156300.db2.gz WQPPFHJETDMARV-UHFFFAOYSA-N 2 1 299.418 3.224 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000648639381 393158112 /nfs/dbraw/zinc/15/81/12/393158112.db2.gz SQGZYSIAIIZKQT-IKGGRYGDSA-N 2 1 282.472 3.044 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000547862906 393158561 /nfs/dbraw/zinc/15/85/61/393158561.db2.gz QHCQNPJZPCHNDT-IAGOWNOFSA-N 2 1 283.419 3.135 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000353254648 393217891 /nfs/dbraw/zinc/21/78/91/393217891.db2.gz WUWXFXDLPMAQFR-OBJOEFQTSA-N 2 1 274.399 3.273 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000353254648 393217896 /nfs/dbraw/zinc/21/78/96/393217896.db2.gz WUWXFXDLPMAQFR-OBJOEFQTSA-N 2 1 274.399 3.273 20 0 CGADMP CC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353400508 393221061 /nfs/dbraw/zinc/22/10/61/393221061.db2.gz GLFHQWIJSCTJPJ-UIEKQHFFSA-N 2 1 250.430 3.028 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000469729052 393209971 /nfs/dbraw/zinc/20/99/71/393209971.db2.gz NWTVHJCSOGILNX-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000469729052 393209978 /nfs/dbraw/zinc/20/99/78/393209978.db2.gz NWTVHJCSOGILNX-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000469729052 393209989 /nfs/dbraw/zinc/20/99/89/393209989.db2.gz NWTVHJCSOGILNX-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000276347639 393296892 /nfs/dbraw/zinc/29/68/92/393296892.db2.gz KQJLWEMTTDKAGC-VIFPVBQESA-N 2 1 269.801 3.257 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000277225666 393306023 /nfs/dbraw/zinc/30/60/23/393306023.db2.gz OHWJZNJEGBPYKF-QGZVFWFLSA-N 2 1 260.425 3.035 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000355230045 393271141 /nfs/dbraw/zinc/27/11/41/393271141.db2.gz ZMULASFDFLGXCF-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000355230045 393271147 /nfs/dbraw/zinc/27/11/47/393271147.db2.gz ZMULASFDFLGXCF-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000355230045 393271156 /nfs/dbraw/zinc/27/11/56/393271156.db2.gz ZMULASFDFLGXCF-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000355230045 393271161 /nfs/dbraw/zinc/27/11/61/393271161.db2.gz ZMULASFDFLGXCF-RDJZCZTQSA-N 2 1 276.399 3.050 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1C ZINC000273123627 393271796 /nfs/dbraw/zinc/27/17/96/393271796.db2.gz ACLJETGSLRWATI-AWEZNQCLSA-N 2 1 287.407 3.168 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000475343549 393394339 /nfs/dbraw/zinc/39/43/39/393394339.db2.gz QXZXZLDMRGWMDU-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP Fc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000647233115 393401638 /nfs/dbraw/zinc/40/16/38/393401638.db2.gz UGFWIRKDXLJRLM-IAGOWNOFSA-N 2 1 288.410 3.421 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000474628449 393341614 /nfs/dbraw/zinc/34/16/14/393341614.db2.gz STRLWOAIWAKPPM-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000474628449 393341618 /nfs/dbraw/zinc/34/16/18/393341618.db2.gz STRLWOAIWAKPPM-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000474879067 393354334 /nfs/dbraw/zinc/35/43/34/393354334.db2.gz LYTYWFJWEUKRAP-SQNIBIBYSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC23CC[NH+](C)CC3)C1 ZINC000475126013 393373439 /nfs/dbraw/zinc/37/34/39/393373439.db2.gz YXUUYAYHKKBSOP-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480691984 393436064 /nfs/dbraw/zinc/43/60/64/393436064.db2.gz XPERFKKATJNMRW-GDBMZVCRSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1C ZINC000481992651 393438473 /nfs/dbraw/zinc/43/84/73/393438473.db2.gz RGQWZBRFWFKTCH-ZHCJQAHYSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000484293429 393445547 /nfs/dbraw/zinc/44/55/47/393445547.db2.gz KTRWEYCRCTYVNH-RQJABVFESA-N 2 1 292.389 3.285 20 0 CGADMP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CCc2c1cccc2Cl ZINC000420292765 393451734 /nfs/dbraw/zinc/45/17/34/393451734.db2.gz PYBJVRVZGGVRQR-CQSZACIVSA-N 2 1 266.816 3.244 20 0 CGADMP C(C[N@H+]1CCCC2(C1)CCCCCC2)[C@@H]1CC[NH2+]C1 ZINC000420295244 393451928 /nfs/dbraw/zinc/45/19/28/393451928.db2.gz CAEFGAMDPILYPS-INIZCTEOSA-N 2 1 264.457 3.422 20 0 CGADMP Cc1ncsc1C[N@@H+](CCCCCF)C[C@@H]1CC[NH2+]C1 ZINC000420301318 393456295 /nfs/dbraw/zinc/45/62/95/393456295.db2.gz APFKTZYBKDMXOT-CQSZACIVSA-N 2 1 299.459 3.003 20 0 CGADMP CC[N@@H+](CCCCC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000420307530 393457185 /nfs/dbraw/zinc/45/71/85/393457185.db2.gz IVVJHWCUASWNAR-KRWDZBQOSA-N 2 1 282.472 3.047 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](CC(C)C)C2)cc1 ZINC000420303919 393457201 /nfs/dbraw/zinc/45/72/01/393457201.db2.gz NXHWZUIPSNYQFU-NVXWUHKLSA-N 2 1 290.451 3.106 20 0 CGADMP CSc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420392628 393483202 /nfs/dbraw/zinc/48/32/02/393483202.db2.gz IZVSOCGRSVOULW-HOCLYGCPSA-N 2 1 290.476 3.373 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333868 393470848 /nfs/dbraw/zinc/47/08/48/393470848.db2.gz TXBUZPFMIQRLQI-CHWSQXEVSA-N 2 1 278.362 3.041 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359004 393473046 /nfs/dbraw/zinc/47/30/46/393473046.db2.gz FLNSRQXOBNQKLS-IAGOWNOFSA-N 2 1 258.409 3.213 20 0 CGADMP Cc1cccc2c1C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000429567989 393484670 /nfs/dbraw/zinc/48/46/70/393484670.db2.gz MYAYUSOURPBORN-QGZVFWFLSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1C[N@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000429567989 393484671 /nfs/dbraw/zinc/48/46/71/393484671.db2.gz MYAYUSOURPBORN-QGZVFWFLSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1cccc2c1C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000429567989 393484675 /nfs/dbraw/zinc/48/46/75/393484675.db2.gz MYAYUSOURPBORN-QGZVFWFLSA-N 2 1 272.436 3.228 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488450476 393520000 /nfs/dbraw/zinc/52/00/00/393520000.db2.gz QHXSBPLEEKCKCT-RDJZCZTQSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430565498 393576565 /nfs/dbraw/zinc/57/65/65/393576565.db2.gz AMPXUJKYNBCNBV-ZFWWWQNUSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430579238 393577900 /nfs/dbraw/zinc/57/79/00/393577900.db2.gz YHQHKWVGCDAWRQ-ZIAGYGMSSA-N 2 1 296.842 3.168 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000666801106 542816948 /nfs/dbraw/zinc/81/69/48/542816948.db2.gz VFHRWERBRYBPIJ-IUODEOHRSA-N 2 1 266.454 3.176 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430653269 393583903 /nfs/dbraw/zinc/58/39/03/393583903.db2.gz OPYQBFVJWIGRJP-XHDPSFHLSA-N 2 1 268.351 3.087 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430653269 393583908 /nfs/dbraw/zinc/58/39/08/393583908.db2.gz OPYQBFVJWIGRJP-XHDPSFHLSA-N 2 1 268.351 3.087 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000432422830 393613093 /nfs/dbraw/zinc/61/30/93/393613093.db2.gz VINURSRERQSZSH-UIDBIOKJSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000489976477 393623564 /nfs/dbraw/zinc/62/35/64/393623564.db2.gz GOSMDRSMXUYRES-FUHWJXTLSA-N 2 1 272.436 3.256 20 0 CGADMP CC[C@@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000490013126 393625485 /nfs/dbraw/zinc/62/54/85/393625485.db2.gz LROWEAZRVLHAER-WMZOPIPTSA-N 2 1 272.436 3.256 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000422921421 393646007 /nfs/dbraw/zinc/64/60/07/393646007.db2.gz PQLQBYNJHXZUPF-LAEOZQHASA-N 2 1 289.206 3.142 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423287410 393658810 /nfs/dbraw/zinc/65/88/10/393658810.db2.gz MCMZQMDKSCKSRM-HNNXBMFYSA-N 2 1 276.424 3.351 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423493923 393671944 /nfs/dbraw/zinc/67/19/44/393671944.db2.gz RJJGAOYLRHFAND-JKSUJKDBSA-N 2 1 296.842 3.005 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nccc2ccccc21 ZINC000423518526 393672369 /nfs/dbraw/zinc/67/23/69/393672369.db2.gz ZIWDNCWMLCWTBL-SUMWQHHRSA-N 2 1 283.419 3.403 20 0 CGADMP C[N@@H+](CCSCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000433036778 393673432 /nfs/dbraw/zinc/67/34/32/393673432.db2.gz YWFUUCMQMGYTMO-UHFFFAOYSA-N 2 1 292.492 3.338 20 0 CGADMP CCOc1cccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000435373124 393714673 /nfs/dbraw/zinc/71/46/73/393714673.db2.gz UAQWLVCSKLJUPB-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000449388061 393880036 /nfs/dbraw/zinc/88/00/36/393880036.db2.gz ZAAPYLSOTACYJS-BZSNNMDCSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCC1 ZINC000502691464 393881968 /nfs/dbraw/zinc/88/19/68/393881968.db2.gz JDIFCWILYSZHAL-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000502691464 393881971 /nfs/dbraw/zinc/88/19/71/393881971.db2.gz JDIFCWILYSZHAL-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000502691464 393881974 /nfs/dbraw/zinc/88/19/74/393881974.db2.gz JDIFCWILYSZHAL-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)Cc1ncc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666996742 542834038 /nfs/dbraw/zinc/83/40/38/542834038.db2.gz CWMAZJWCHOZTKB-ZDUSSCGKSA-N 2 1 293.480 3.106 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999446 542835162 /nfs/dbraw/zinc/83/51/62/542835162.db2.gz JAYBHOXJVMKXLX-MRXNPFEDSA-N 2 1 288.435 3.238 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497097 394006561 /nfs/dbraw/zinc/00/65/61/394006561.db2.gz CBRRCXODUBGSIM-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497097 394006564 /nfs/dbraw/zinc/00/65/64/394006564.db2.gz CBRRCXODUBGSIM-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497097 394006568 /nfs/dbraw/zinc/00/65/68/394006568.db2.gz CBRRCXODUBGSIM-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC3)[C@H]3CCC[C@H]32)cc1 ZINC000453058656 394155605 /nfs/dbraw/zinc/15/56/05/394155605.db2.gz PIFJAFUKVHQPLS-FGTMMUONSA-N 2 1 270.420 3.182 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453060007 394156391 /nfs/dbraw/zinc/15/63/91/394156391.db2.gz MDICWCWBRQLLHG-INIZCTEOSA-N 2 1 261.413 3.140 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccncn2)c1 ZINC000453100638 394170521 /nfs/dbraw/zinc/17/05/21/394170521.db2.gz ZXTYMLSZFAKQCQ-OAHLLOKOSA-N 2 1 298.434 3.168 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000453398254 394232484 /nfs/dbraw/zinc/23/24/84/394232484.db2.gz KKUOKMLRLJFEFI-INIZCTEOSA-N 2 1 294.389 3.416 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1c(F)cccc1Cl)C1CC1 ZINC000453593607 394252309 /nfs/dbraw/zinc/25/23/09/394252309.db2.gz GZDWHQZJGXPJPU-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000453599405 394254176 /nfs/dbraw/zinc/25/41/76/394254176.db2.gz RBVGGWYTYDWGEO-UHFFFAOYSA-N 2 1 298.434 3.041 20 0 CGADMP C[N@H+](CCCC[NH2+]Cc1c[nH]c(-c2ccccc2)n1)C1CC1 ZINC000453599405 394254178 /nfs/dbraw/zinc/25/41/78/394254178.db2.gz RBVGGWYTYDWGEO-UHFFFAOYSA-N 2 1 298.434 3.041 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]c(-c2ccccc2)n1)C1CC1 ZINC000453599405 394254181 /nfs/dbraw/zinc/25/41/81/394254181.db2.gz RBVGGWYTYDWGEO-UHFFFAOYSA-N 2 1 298.434 3.041 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000667518289 542883518 /nfs/dbraw/zinc/88/35/18/542883518.db2.gz WKOKUIZVDGYSMZ-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000667518289 542883521 /nfs/dbraw/zinc/88/35/21/542883521.db2.gz WKOKUIZVDGYSMZ-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000667518289 542883523 /nfs/dbraw/zinc/88/35/23/542883523.db2.gz WKOKUIZVDGYSMZ-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667655264 542907750 /nfs/dbraw/zinc/90/77/50/542907750.db2.gz AFDCCQGXSSNBJZ-OAHLLOKOSA-N 2 1 284.407 3.279 20 0 CGADMP CC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667655264 542907751 /nfs/dbraw/zinc/90/77/51/542907751.db2.gz AFDCCQGXSSNBJZ-OAHLLOKOSA-N 2 1 284.407 3.279 20 0 CGADMP CCc1nc(C)c([C@H](C)N(C)Cc2c[nH+]c(C)n2C)s1 ZINC000667665658 542910816 /nfs/dbraw/zinc/91/08/16/542910816.db2.gz QHBLPEVYWOGHSQ-NSHDSACASA-N 2 1 292.452 3.249 20 0 CGADMP CCCCO[C@@H]1C[C@H](N(C)Cc2cnc(C)n2C)C1(C)C ZINC000667691982 542918353 /nfs/dbraw/zinc/91/83/53/542918353.db2.gz UVFRMIJPGJXHDY-JKSUJKDBSA-N 2 1 293.455 3.144 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n(-c2ccncc2)n1 ZINC000668271795 542999834 /nfs/dbraw/zinc/99/98/34/542999834.db2.gz PAMTXACQMHPFST-YOEHRIQHSA-N 2 1 282.391 3.032 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000668271795 542999837 /nfs/dbraw/zinc/99/98/37/542999837.db2.gz PAMTXACQMHPFST-YOEHRIQHSA-N 2 1 282.391 3.032 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@@H](C)C1 ZINC000550858028 289087246 /nfs/dbraw/zinc/08/72/46/289087246.db2.gz HECBRXRHVGAYBY-PPWQZUPISA-N 2 1 252.446 3.131 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)C(C)(C)C)C1 ZINC000670265133 543148031 /nfs/dbraw/zinc/14/80/31/543148031.db2.gz QYQOKALLJXKYHY-GJZGRUSLSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265133 543148033 /nfs/dbraw/zinc/14/80/33/543148033.db2.gz QYQOKALLJXKYHY-GJZGRUSLSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265133 543148035 /nfs/dbraw/zinc/14/80/35/543148035.db2.gz QYQOKALLJXKYHY-GJZGRUSLSA-N 2 1 254.462 3.332 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000670267250 543149069 /nfs/dbraw/zinc/14/90/69/543149069.db2.gz WXWIRQQJWBJCFS-LSDHHAIUSA-N 2 1 254.462 3.379 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671245707 543164263 /nfs/dbraw/zinc/16/42/63/543164263.db2.gz HKALWIJNEHMMTK-UHFFFAOYSA-N 2 1 257.381 3.059 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245707 543164266 /nfs/dbraw/zinc/16/42/66/543164266.db2.gz HKALWIJNEHMMTK-UHFFFAOYSA-N 2 1 257.381 3.059 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000671739986 543183653 /nfs/dbraw/zinc/18/36/53/543183653.db2.gz TXXKFKRHVGETGP-QYZOEREBSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ncccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000673812299 543255482 /nfs/dbraw/zinc/25/54/82/543255482.db2.gz UMWYVQPTSPGREC-UHFFFAOYSA-N 2 1 287.451 3.277 20 0 CGADMP c1ccc2c(c1)n[nH]c2C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000674044644 543264996 /nfs/dbraw/zinc/26/49/96/543264996.db2.gz FVYSGMOWQURBGQ-UHFFFAOYSA-N 2 1 298.434 3.060 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000674049759 543265563 /nfs/dbraw/zinc/26/55/63/543265563.db2.gz ZBAZWFWZVJJFJF-YJBOKZPZSA-N 2 1 294.483 3.188 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917991 397609898 /nfs/dbraw/zinc/60/98/98/397609898.db2.gz LRJCWWRIHWOPER-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070977955 397639564 /nfs/dbraw/zinc/63/95/64/397639564.db2.gz QNGICDKYBXKUGN-SQWLQELKSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000187887968 397661880 /nfs/dbraw/zinc/66/18/80/397661880.db2.gz HYODACZDWDSYAE-UONOGXRCSA-N 2 1 280.843 3.375 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000255192187 397669413 /nfs/dbraw/zinc/66/94/13/397669413.db2.gz ACQGGLXXNGXNEY-OICCZTGUSA-N 2 1 276.399 3.113 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000255192187 397669414 /nfs/dbraw/zinc/66/94/14/397669414.db2.gz ACQGGLXXNGXNEY-OICCZTGUSA-N 2 1 276.399 3.113 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000255192187 397669416 /nfs/dbraw/zinc/66/94/16/397669416.db2.gz ACQGGLXXNGXNEY-OICCZTGUSA-N 2 1 276.399 3.113 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000255192187 397669418 /nfs/dbraw/zinc/66/94/18/397669418.db2.gz ACQGGLXXNGXNEY-OICCZTGUSA-N 2 1 276.399 3.113 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302318634 397676457 /nfs/dbraw/zinc/67/64/57/397676457.db2.gz QDZQAYQDHFMLLG-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421323605 397702298 /nfs/dbraw/zinc/70/22/98/397702298.db2.gz IOFVSWQGSUQQIU-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3c1CCC3)CC[NH2+]CC2 ZINC000650704241 397897678 /nfs/dbraw/zinc/89/76/78/397897678.db2.gz OTSKMYZLWOXKEC-OAHLLOKOSA-N 2 1 284.447 3.139 20 0 CGADMP CC[N@@H+](CCCN[C@H](C)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710472 397898044 /nfs/dbraw/zinc/89/80/44/397898044.db2.gz PQRLEBPBLGHUEB-IAGOWNOFSA-N 2 1 295.515 3.151 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000650708568 397898100 /nfs/dbraw/zinc/89/81/00/397898100.db2.gz DUCJOBVMOSQUGJ-ICUGJSFKSA-N 2 1 294.483 3.031 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000650710741 397899108 /nfs/dbraw/zinc/89/91/08/397899108.db2.gz YJUUEPPJSXWESF-DYVFJYSZSA-N 2 1 292.854 3.301 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754973 397909044 /nfs/dbraw/zinc/90/90/44/397909044.db2.gz VYPHCKDNWFHPHA-JTQLQIEISA-N 2 1 294.395 3.205 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cn1 ZINC000650754938 397909378 /nfs/dbraw/zinc/90/93/78/397909378.db2.gz VFWCYXMMKYZVPF-HNNXBMFYSA-N 2 1 291.345 3.059 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000650756695 397910284 /nfs/dbraw/zinc/91/02/84/397910284.db2.gz HVOWOQXQQOYELN-NSHDSACASA-N 2 1 289.448 3.330 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000674906028 543305188 /nfs/dbraw/zinc/30/51/88/543305188.db2.gz BIZPIZACZSEVCQ-UHFFFAOYSA-N 2 1 284.488 3.244 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(CC)CC)[C@H](C)C1 ZINC000675829422 543367850 /nfs/dbraw/zinc/36/78/50/543367850.db2.gz SIDMTMCEJKKGLS-NVXWUHKLSA-N 2 1 284.488 3.149 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC2CCC2)[C@H](C)C1 ZINC000675885309 543370042 /nfs/dbraw/zinc/37/00/42/543370042.db2.gz PKKSGNSNLBOVRV-NUJGCVRESA-N 2 1 296.499 3.292 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000676044903 543379080 /nfs/dbraw/zinc/37/90/80/543379080.db2.gz HQJWMTOEMUEKGU-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)OCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712131 543411470 /nfs/dbraw/zinc/41/14/70/543411470.db2.gz GCNYLENPFWUUIR-NVXWUHKLSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)(C)OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712131 543411472 /nfs/dbraw/zinc/41/14/72/543411472.db2.gz GCNYLENPFWUUIR-NVXWUHKLSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)(C)OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712131 543411474 /nfs/dbraw/zinc/41/14/74/543411474.db2.gz GCNYLENPFWUUIR-NVXWUHKLSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677240034 543441407 /nfs/dbraw/zinc/44/14/07/543441407.db2.gz DMWOGQURYHCRNT-MSOLQXFVSA-N 2 1 286.463 3.489 20 0 CGADMP CC(C)CC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678136790 543486377 /nfs/dbraw/zinc/48/63/77/543486377.db2.gz IGJUDYFKHRDMLX-UHFFFAOYSA-N 2 1 278.440 3.105 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2cccnc2)CC1 ZINC000678169380 543490731 /nfs/dbraw/zinc/49/07/31/543490731.db2.gz OJUVOVCXOLXUNI-GOSISDBHSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC2CCCC2)cc1 ZINC000678220266 543495157 /nfs/dbraw/zinc/49/51/57/543495157.db2.gz HNWYGFNPXFKSQB-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414169852 286023106 /nfs/dbraw/zinc/02/31/06/286023106.db2.gz BPHVCNIMAAKGCG-NUJGCVRESA-N 2 1 290.451 3.084 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000678277859 543509455 /nfs/dbraw/zinc/50/94/55/543509455.db2.gz PKQGLIUHOMFEOI-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000678277859 543509456 /nfs/dbraw/zinc/50/94/56/543509456.db2.gz PKQGLIUHOMFEOI-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000678277859 543509457 /nfs/dbraw/zinc/50/94/57/543509457.db2.gz PKQGLIUHOMFEOI-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340323 543516169 /nfs/dbraw/zinc/51/61/69/543516169.db2.gz SXYRXZPSDLSSAU-MJGOQNOKSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340323 543516170 /nfs/dbraw/zinc/51/61/70/543516170.db2.gz SXYRXZPSDLSSAU-MJGOQNOKSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340323 543516171 /nfs/dbraw/zinc/51/61/71/543516171.db2.gz SXYRXZPSDLSSAU-MJGOQNOKSA-N 2 1 284.447 3.480 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2ccccn2)cc1 ZINC000423091099 292260634 /nfs/dbraw/zinc/26/06/34/292260634.db2.gz ZIILRIOUGHLSBS-MPGHIAIKSA-N 2 1 283.419 3.195 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193232 287046953 /nfs/dbraw/zinc/04/69/53/287046953.db2.gz DRXFTILOEKGRHW-SQWLQELKSA-N 2 1 264.457 3.418 20 0 CGADMP COc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000079436813 287056693 /nfs/dbraw/zinc/05/66/93/287056693.db2.gz GXQLLHKPHNIPGT-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000079436813 287056695 /nfs/dbraw/zinc/05/66/95/287056695.db2.gz GXQLLHKPHNIPGT-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000079436813 287056698 /nfs/dbraw/zinc/05/66/98/287056698.db2.gz GXQLLHKPHNIPGT-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP COc1cccc([C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000079436813 287056700 /nfs/dbraw/zinc/05/67/00/287056700.db2.gz GXQLLHKPHNIPGT-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC000081517035 287073580 /nfs/dbraw/zinc/07/35/80/287073580.db2.gz LVDSSPATABJGIJ-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000081517035 287073581 /nfs/dbraw/zinc/07/35/81/287073581.db2.gz LVDSSPATABJGIJ-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000081517035 287073582 /nfs/dbraw/zinc/07/35/82/287073582.db2.gz LVDSSPATABJGIJ-KRWDZBQOSA-N 2 1 286.463 3.339 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000066152406 165033991 /nfs/dbraw/zinc/03/39/91/165033991.db2.gz PSOCJFXFMYZPSJ-QGZVFWFLSA-N 2 1 290.451 3.282 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(C)C)[C@H](C)C1 ZINC000090228111 287100379 /nfs/dbraw/zinc/10/03/79/287100379.db2.gz RUSKEPSPIIXTHU-CABCVRRESA-N 2 1 254.462 3.379 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000092165605 165283305 /nfs/dbraw/zinc/28/33/05/165283305.db2.gz TURWWTHLLJOQHY-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000092165605 165283306 /nfs/dbraw/zinc/28/33/06/165283306.db2.gz TURWWTHLLJOQHY-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C(C)C)cc1 ZINC000094012285 165343107 /nfs/dbraw/zinc/34/31/07/165343107.db2.gz QORDWUNZAOTHCJ-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)[NH+](CCNc1cc[nH+]cc1Cl)C(C)C ZINC000094266923 165346410 /nfs/dbraw/zinc/34/64/10/165346410.db2.gz IRRFVZNBNURVOI-UHFFFAOYSA-N 2 1 255.793 3.266 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000094901283 165395691 /nfs/dbraw/zinc/39/56/91/165395691.db2.gz PHYWTQHQLSQLAE-KRWDZBQOSA-N 2 1 260.425 3.056 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000093639066 287117900 /nfs/dbraw/zinc/11/79/00/287117900.db2.gz WEDDRNKGUDEUIP-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000093639066 287117902 /nfs/dbraw/zinc/11/79/02/287117902.db2.gz WEDDRNKGUDEUIP-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000093639066 287117905 /nfs/dbraw/zinc/11/79/05/287117905.db2.gz WEDDRNKGUDEUIP-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP C[C@H](C[NH+]1CCC([NH2+]CC2CC2)CC1)c1ccc(F)cc1 ZINC000261996937 165848238 /nfs/dbraw/zinc/84/82/38/165848238.db2.gz SXDMPHKRPYJAOV-CQSZACIVSA-N 2 1 290.426 3.393 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000120793130 287187233 /nfs/dbraw/zinc/18/72/33/287187233.db2.gz ALRVOTALOGHCAC-NVXWUHKLSA-N 2 1 274.452 3.345 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000020189116 171054614 /nfs/dbraw/zinc/05/46/14/171054614.db2.gz CKIJDHVOFHIFJR-LBPRGKRZSA-N 2 1 252.427 3.272 20 0 CGADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000285467467 196293689 /nfs/dbraw/zinc/29/36/89/196293689.db2.gz NKQYVTURDGORPE-OWOJBTEDSA-N 2 1 292.373 3.194 20 0 CGADMP C[NH+](C)C1(C[NH2+]C(C2CC2)C2CC2)CCCCC1 ZINC000036984078 172850285 /nfs/dbraw/zinc/85/02/85/172850285.db2.gz LRYQCNMACAHAIH-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285596901 196338060 /nfs/dbraw/zinc/33/80/60/196338060.db2.gz UVNSPGQWDFKWEL-XYPWUTKMSA-N 2 1 278.827 3.397 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285596901 196338062 /nfs/dbraw/zinc/33/80/62/196338062.db2.gz UVNSPGQWDFKWEL-XYPWUTKMSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285596901 196338063 /nfs/dbraw/zinc/33/80/63/196338063.db2.gz UVNSPGQWDFKWEL-XYPWUTKMSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285596901 196338065 /nfs/dbraw/zinc/33/80/65/196338065.db2.gz UVNSPGQWDFKWEL-XYPWUTKMSA-N 2 1 278.827 3.397 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037210918 173033220 /nfs/dbraw/zinc/03/32/20/173033220.db2.gz XXDYKJKCUJSINM-UHFFFAOYSA-N 2 1 278.440 3.295 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000037248666 173061384 /nfs/dbraw/zinc/06/13/84/173061384.db2.gz KKQUOZVHRNBJHC-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000037400031 173177826 /nfs/dbraw/zinc/17/78/26/173177826.db2.gz MMGYGAZNALTGDH-UHFFFAOYSA-N 2 1 266.388 3.149 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000037400031 173177827 /nfs/dbraw/zinc/17/78/27/173177827.db2.gz MMGYGAZNALTGDH-UHFFFAOYSA-N 2 1 266.388 3.149 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037408244 173185369 /nfs/dbraw/zinc/18/53/69/173185369.db2.gz MZMSKCLLYIPQJV-INIZCTEOSA-N 2 1 272.436 3.186 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000037423869 173199472 /nfs/dbraw/zinc/19/94/72/173199472.db2.gz KOXPMBKWVDVQEA-UHFFFAOYSA-N 2 1 273.207 3.177 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000038097992 174112827 /nfs/dbraw/zinc/11/28/27/174112827.db2.gz SAYWTFIGMBYTFZ-LBPRGKRZSA-N 2 1 298.377 3.423 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746535 174391665 /nfs/dbraw/zinc/39/16/65/174391665.db2.gz NYGZTJFYDCFGRK-YIONKMFJSA-N 2 1 264.800 3.055 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000071141860 176039936 /nfs/dbraw/zinc/03/99/36/176039936.db2.gz XVUOFGYVOGGMPW-LSDHHAIUSA-N 2 1 268.404 3.442 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)[C@H]1CC[NH3+] ZINC000404319560 416552935 /nfs/dbraw/zinc/55/29/35/416552935.db2.gz IOVCTCWEVNOUGG-KSSFIOAISA-N 2 1 283.419 3.184 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)[C@H]1CC[NH3+] ZINC000404426035 416554446 /nfs/dbraw/zinc/55/44/46/416554446.db2.gz LTNCBUUCHZBVBM-ZBFHGGJFSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@H]1CC[NH3+] ZINC000404426035 416554451 /nfs/dbraw/zinc/55/44/51/416554451.db2.gz LTNCBUUCHZBVBM-ZBFHGGJFSA-N 2 1 299.418 3.291 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)CC[C@@H]1[NH3+] ZINC000134103226 416516834 /nfs/dbraw/zinc/51/68/34/416516834.db2.gz WUQKPYCDAHNFRG-RDJZCZTQSA-N 2 1 260.425 3.171 20 0 CGADMP CC[N@@H+](CCC1CC1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680650531 543722362 /nfs/dbraw/zinc/72/23/62/543722362.db2.gz XLOGDQVTOCCBPT-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCc2ccccc2)C[C@H]1C ZINC000682078011 543822959 /nfs/dbraw/zinc/82/29/59/543822959.db2.gz UHTSWZRZVLCUMA-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCc2ccccc2)C[C@H]1C ZINC000682078011 543822962 /nfs/dbraw/zinc/82/29/62/543822962.db2.gz UHTSWZRZVLCUMA-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCc2ccccc2)C[C@H]1C ZINC000682078011 543822965 /nfs/dbraw/zinc/82/29/65/543822965.db2.gz UHTSWZRZVLCUMA-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP FC(F)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000131359134 287377291 /nfs/dbraw/zinc/37/72/91/287377291.db2.gz XUJVQQYFJROSJB-CYBMUJFWSA-N 2 1 280.362 3.198 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000131502002 287381877 /nfs/dbraw/zinc/38/18/77/287381877.db2.gz JEJIYDZNMMWRMD-BBRMVZONSA-N 2 1 278.415 3.033 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000366970165 226016131 /nfs/dbraw/zinc/01/61/31/226016131.db2.gz PUKUUNSTTNPQEE-INDMIFKZSA-N 2 1 284.447 3.287 20 0 CGADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000683703024 543934112 /nfs/dbraw/zinc/93/41/12/543934112.db2.gz IEEWWSDDNPYCJO-CYBMUJFWSA-N 2 1 298.833 3.486 20 0 CGADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000683703024 543934115 /nfs/dbraw/zinc/93/41/15/543934115.db2.gz IEEWWSDDNPYCJO-CYBMUJFWSA-N 2 1 298.833 3.486 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2nccc3ccccc32)CC1 ZINC000683357857 543910557 /nfs/dbraw/zinc/91/05/57/543910557.db2.gz GRLYWNNKAKVEMH-INIZCTEOSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2nccc3ccccc32)CC1 ZINC000683357857 543910561 /nfs/dbraw/zinc/91/05/61/543910561.db2.gz GRLYWNNKAKVEMH-INIZCTEOSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000683769263 543939880 /nfs/dbraw/zinc/93/98/80/543939880.db2.gz XGPGFBOTMXHKMM-CQSZACIVSA-N 2 1 294.402 3.166 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3cnccc3c2)C1 ZINC000683832805 543947801 /nfs/dbraw/zinc/94/78/01/543947801.db2.gz MJLJABVXYFTXHK-QGZVFWFLSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683832805 543947802 /nfs/dbraw/zinc/94/78/02/543947802.db2.gz MJLJABVXYFTXHK-QGZVFWFLSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000683832805 543947806 /nfs/dbraw/zinc/94/78/06/543947806.db2.gz MJLJABVXYFTXHK-QGZVFWFLSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@H]1C[C@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)CC[N@H+]1C ZINC000684963152 544046924 /nfs/dbraw/zinc/04/69/24/544046924.db2.gz KVYYHDXCZJUOEA-SWLSCSKDSA-N 2 1 295.858 3.296 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000355035819 227333064 /nfs/dbraw/zinc/33/30/64/227333064.db2.gz IKFHRJDHNASGAF-AWEZNQCLSA-N 2 1 257.381 3.159 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cc1F ZINC000652220848 418936787 /nfs/dbraw/zinc/93/67/87/418936787.db2.gz KVQRQIFKVOIZKJ-AWEZNQCLSA-N 2 1 296.430 3.463 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1F ZINC000652220848 418936789 /nfs/dbraw/zinc/93/67/89/418936789.db2.gz KVQRQIFKVOIZKJ-AWEZNQCLSA-N 2 1 296.430 3.463 20 0 CGADMP Cc1c[nH+]ccc1N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000664364525 418942710 /nfs/dbraw/zinc/94/27/10/418942710.db2.gz RZLVKNORCIMXIX-SFHVURJKSA-N 2 1 295.430 3.143 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC000652358408 418955637 /nfs/dbraw/zinc/95/56/37/418955637.db2.gz AIRWUVSTNCNXAS-UHFFFAOYSA-N 2 1 260.381 3.091 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000652358408 418955641 /nfs/dbraw/zinc/95/56/41/418955641.db2.gz AIRWUVSTNCNXAS-UHFFFAOYSA-N 2 1 260.381 3.091 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659928249 419035514 /nfs/dbraw/zinc/03/55/14/419035514.db2.gz KLODGTFTKPBKOT-BRWVUGGUSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659928249 419035517 /nfs/dbraw/zinc/03/55/17/419035517.db2.gz KLODGTFTKPBKOT-BRWVUGGUSA-N 2 1 294.483 3.140 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659956661 419046134 /nfs/dbraw/zinc/04/61/34/419046134.db2.gz LPFGIWPLXBFXHK-GJZGRUSLSA-N 2 1 288.426 3.476 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655734638 419082332 /nfs/dbraw/zinc/08/23/32/419082332.db2.gz LHKSAEYIDKWWJF-OAGGEKHMSA-N 2 1 284.513 3.228 20 0 CGADMP CCC(C)(C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000653811698 419088132 /nfs/dbraw/zinc/08/81/32/419088132.db2.gz VBGHBNSJVHIDLZ-KRWDZBQOSA-N 2 1 295.515 3.056 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2occc2c1 ZINC000665237935 419088513 /nfs/dbraw/zinc/08/85/13/419088513.db2.gz MINMCPSHOIDGBC-KBXCAEBGSA-N 2 1 294.398 3.481 20 0 CGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCC=C(C)C)CC1 ZINC000660159352 419090883 /nfs/dbraw/zinc/09/08/83/419090883.db2.gz SWHFSGQTBDCHNC-UHFFFAOYSA-N 2 1 296.499 3.413 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(OC(F)F)cc1 ZINC000665250700 419092386 /nfs/dbraw/zinc/09/23/86/419092386.db2.gz ZSGMHZDWPCONRI-LLVKDONJSA-N 2 1 284.350 3.210 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Br)cc1 ZINC000665250216 419092513 /nfs/dbraw/zinc/09/25/13/419092513.db2.gz KTMVLFXEZCSROS-NSHDSACASA-N 2 1 297.240 3.371 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772105 419093501 /nfs/dbraw/zinc/09/35/01/419093501.db2.gz AQFNYMUNTVLKQS-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252599 419093657 /nfs/dbraw/zinc/09/36/57/419093657.db2.gz UBOPLIFDIDHVEH-AXAPSJFSSA-N 2 1 282.378 3.044 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000665257383 419095270 /nfs/dbraw/zinc/09/52/70/419095270.db2.gz HTXFHNPTPSWVTL-BRWVUGGUSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257560 419095812 /nfs/dbraw/zinc/09/58/12/419095812.db2.gz MXNYEWNJPNLIHX-WBQNTZJQSA-N 2 1 276.399 3.049 20 0 CGADMP Cc1cccc2c1CCC[C@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665283736 419105056 /nfs/dbraw/zinc/10/50/56/419105056.db2.gz UBGIPOQRSIYYNS-KBRIMQKVSA-N 2 1 258.409 3.103 20 0 CGADMP COc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1C ZINC000665294510 419107117 /nfs/dbraw/zinc/10/71/17/419107117.db2.gz QBIFKNROHPOMIF-CRAIPNDOSA-N 2 1 298.430 3.052 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000665297636 419111127 /nfs/dbraw/zinc/11/11/27/419111127.db2.gz JBTZWIQHZDSGAF-UONOGXRCSA-N 2 1 298.858 3.393 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000659983633 419052170 /nfs/dbraw/zinc/05/21/70/419052170.db2.gz RMENURVUWNVEMJ-XQQFMLRXSA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000659983633 419052174 /nfs/dbraw/zinc/05/21/74/419052174.db2.gz RMENURVUWNVEMJ-XQQFMLRXSA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659983633 419052177 /nfs/dbraw/zinc/05/21/77/419052177.db2.gz RMENURVUWNVEMJ-XQQFMLRXSA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000659983633 419052182 /nfs/dbraw/zinc/05/21/82/419052182.db2.gz RMENURVUWNVEMJ-XQQFMLRXSA-N 2 1 262.388 3.082 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CS1 ZINC000655690319 419066044 /nfs/dbraw/zinc/06/60/44/419066044.db2.gz LTWYVRYDFVDTQU-KGLIPLIRSA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000660415643 419140575 /nfs/dbraw/zinc/14/05/75/419140575.db2.gz GUVNIZWTWBDOBS-OLZOCXBDSA-N 2 1 262.388 3.084 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665898 419178401 /nfs/dbraw/zinc/17/84/01/419178401.db2.gz YXEGWIOLUJLMKQ-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665898 419178405 /nfs/dbraw/zinc/17/84/05/419178405.db2.gz YXEGWIOLUJLMKQ-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665898 419178410 /nfs/dbraw/zinc/17/84/10/419178410.db2.gz YXEGWIOLUJLMKQ-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccccc1Cl)C2 ZINC000660661299 419179675 /nfs/dbraw/zinc/17/96/75/419179675.db2.gz ZVZVABBOADNUHB-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccccc1Cl)C2 ZINC000660661299 419179676 /nfs/dbraw/zinc/17/96/76/419179676.db2.gz ZVZVABBOADNUHB-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1Cl)C2 ZINC000660661299 419179678 /nfs/dbraw/zinc/17/96/78/419179678.db2.gz ZVZVABBOADNUHB-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1Cl)C2 ZINC000660661299 419179680 /nfs/dbraw/zinc/17/96/80/419179680.db2.gz ZVZVABBOADNUHB-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000656617949 419187314 /nfs/dbraw/zinc/18/73/14/419187314.db2.gz UFGXKPPJRPDEIT-NFOMZHRRSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)[C@H]1CC1(C)C ZINC000666093466 419189092 /nfs/dbraw/zinc/18/90/92/419189092.db2.gz GTPZEXKUDHFPOI-SJORKVTESA-N 2 1 296.499 3.290 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666116818 419190383 /nfs/dbraw/zinc/19/03/83/419190383.db2.gz CUWKFAOIIOAMSR-HNNXBMFYSA-N 2 1 290.838 3.049 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCC(C3CCC3)CC2)CCOCC1 ZINC000657361973 419260250 /nfs/dbraw/zinc/26/02/50/419260250.db2.gz VJGBAUGKMPEZPK-UHFFFAOYSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782571 419218175 /nfs/dbraw/zinc/21/81/75/419218175.db2.gz HNXRVULFCFUSRY-OAHLLOKOSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784519 419218740 /nfs/dbraw/zinc/21/87/40/419218740.db2.gz DQAWSTZSTLNCGI-SFHVURJKSA-N 2 1 272.436 3.207 20 0 CGADMP CC(C)(C)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788578 419220612 /nfs/dbraw/zinc/22/06/12/419220612.db2.gz BVYNMTODPQEUDV-HZPDHXFCSA-N 2 1 260.425 3.158 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000657175086 419230161 /nfs/dbraw/zinc/23/01/61/419230161.db2.gz YANAVTKHUXKJJL-LPHOPBHVSA-N 2 1 286.463 3.256 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838500 419303067 /nfs/dbraw/zinc/30/30/67/419303067.db2.gz GFLFXOIAXVRIJQ-OWCLPIDISA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000657678035 419327088 /nfs/dbraw/zinc/32/70/88/419327088.db2.gz LQDISOFJCHSXKK-ILXRZTDVSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000657678035 419327090 /nfs/dbraw/zinc/32/70/90/419327090.db2.gz LQDISOFJCHSXKK-ILXRZTDVSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678961 419327177 /nfs/dbraw/zinc/32/71/77/419327177.db2.gz XIZJYERNWXXIQJ-IIAWOOMASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657678961 419327178 /nfs/dbraw/zinc/32/71/78/419327178.db2.gz XIZJYERNWXXIQJ-IIAWOOMASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480678529 228153360 /nfs/dbraw/zinc/15/33/60/228153360.db2.gz UGAHKQWSCRCVFI-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC(F)CC1 ZINC000657742822 419335838 /nfs/dbraw/zinc/33/58/38/419335838.db2.gz AYLZFEQMWOYGDZ-VLSVSDDBSA-N 2 1 268.420 3.120 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c1)NCC2 ZINC000336053428 228181171 /nfs/dbraw/zinc/18/11/71/228181171.db2.gz VOEPUAOMPNNKQW-SFHVURJKSA-N 2 1 299.462 3.105 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000662313104 419390044 /nfs/dbraw/zinc/39/00/44/419390044.db2.gz JSYRHMYFWNKNLC-BFYDXBDKSA-N 2 1 290.451 3.248 20 0 CGADMP CO[C@@H](C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CCCC1 ZINC000662315298 419390418 /nfs/dbraw/zinc/39/04/18/419390418.db2.gz RFBOVDMHKYNQKB-OIISXLGYSA-N 2 1 282.472 3.031 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000662322319 419390880 /nfs/dbraw/zinc/39/08/80/419390880.db2.gz LRBBMRORLCSHTQ-NVXWUHKLSA-N 2 1 264.457 3.278 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc2cnccc2o1 ZINC000657815649 419364585 /nfs/dbraw/zinc/36/45/85/419364585.db2.gz IXGIZKPDOAPZGH-GFCCVEGCSA-N 2 1 275.396 3.066 20 0 CGADMP C[N@@H+](CCSc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000662237365 419371077 /nfs/dbraw/zinc/37/10/77/419371077.db2.gz IYRQIMSCKRKKNY-UHFFFAOYSA-N 2 1 284.856 3.116 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662263875 419375760 /nfs/dbraw/zinc/37/57/60/419375760.db2.gz GHSCBWCSQTYECE-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000662271520 419379843 /nfs/dbraw/zinc/37/98/43/419379843.db2.gz VOIITGOKPFVVNO-WFASDCNBSA-N 2 1 298.883 3.491 20 0 CGADMP CO[C@@H](C[N@@H+](CCC[NH3+])Cc1ccccc1)C1CCCC1 ZINC000662272163 419380446 /nfs/dbraw/zinc/38/04/46/419380446.db2.gz LINUGKPJANQKAW-SFHVURJKSA-N 2 1 290.451 3.043 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@H]1CCc2ccccc21 ZINC000662276593 419381582 /nfs/dbraw/zinc/38/15/82/419381582.db2.gz KRTYMCXNUKAXAN-GDBMZVCRSA-N 2 1 260.425 3.070 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1cc2cnccc2o1)C[NH+]1CCCC1 ZINC000657844136 419383198 /nfs/dbraw/zinc/38/31/98/419383198.db2.gz IFLOPJDZFSGRBB-ZIAGYGMSSA-N 2 1 287.407 3.210 20 0 CGADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662294380 419384955 /nfs/dbraw/zinc/38/49/55/419384955.db2.gz COOZGSUKINLYLX-DLBZAZTESA-N 2 1 272.436 3.440 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCSc1cccc(Cl)c1 ZINC000662283301 419385594 /nfs/dbraw/zinc/38/55/94/419385594.db2.gz HEUFZFCHUNRYPV-YPMHNXCESA-N 2 1 284.856 3.244 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294150 419386156 /nfs/dbraw/zinc/38/61/56/419386156.db2.gz BIHGLDGGRQAOSB-LJQANCHMSA-N 2 1 286.463 3.331 20 0 CGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293183 419386427 /nfs/dbraw/zinc/38/64/27/419386427.db2.gz PYMPMTUWRPIMLD-SNVBAGLBSA-N 2 1 290.329 3.315 20 0 CGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293183 419386431 /nfs/dbraw/zinc/38/64/31/419386431.db2.gz PYMPMTUWRPIMLD-SNVBAGLBSA-N 2 1 290.329 3.315 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657932992 419449887 /nfs/dbraw/zinc/44/98/87/419449887.db2.gz YFAXUAOUIHQMLZ-JKSUJKDBSA-N 2 1 284.513 3.230 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)[C@H]2CCC[C@@H]21 ZINC000658116233 419592387 /nfs/dbraw/zinc/59/23/87/419592387.db2.gz HVLITBWNXMLQNI-IKGGRYGDSA-N 2 1 284.403 3.395 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCC1 ZINC000658226665 419686797 /nfs/dbraw/zinc/68/67/97/419686797.db2.gz LQHHPXPMUYTYKB-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCC1 ZINC000658226665 419686803 /nfs/dbraw/zinc/68/68/03/419686803.db2.gz LQHHPXPMUYTYKB-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000658265871 419719633 /nfs/dbraw/zinc/71/96/33/419719633.db2.gz VSTARZLPEYOQHT-DZOHQFGASA-N 2 1 272.436 3.253 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000658265873 419719701 /nfs/dbraw/zinc/71/97/01/419719701.db2.gz VSTARZLPEYOQHT-VDHUWJSZSA-N 2 1 272.436 3.253 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000179403990 260046636 /nfs/dbraw/zinc/04/66/36/260046636.db2.gz NQYYTBIFODTWQH-CYBMUJFWSA-N 2 1 261.413 3.235 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000179403990 260046637 /nfs/dbraw/zinc/04/66/37/260046637.db2.gz NQYYTBIFODTWQH-CYBMUJFWSA-N 2 1 261.413 3.235 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC000180215222 260095701 /nfs/dbraw/zinc/09/57/01/260095701.db2.gz OWNKXLILWJOAER-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2C)C1 ZINC000180215222 260095702 /nfs/dbraw/zinc/09/57/02/260095702.db2.gz OWNKXLILWJOAER-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2C)C1 ZINC000180215222 260095703 /nfs/dbraw/zinc/09/57/03/260095703.db2.gz OWNKXLILWJOAER-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180215222 260095705 /nfs/dbraw/zinc/09/57/05/260095705.db2.gz OWNKXLILWJOAER-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000180215222 260095707 /nfs/dbraw/zinc/09/57/07/260095707.db2.gz OWNKXLILWJOAER-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1Cl ZINC000390711570 262244340 /nfs/dbraw/zinc/24/43/40/262244340.db2.gz AHYIEZUVSGCJTJ-CYBMUJFWSA-N 2 1 289.810 3.089 20 0 CGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1Cl ZINC000390711570 262244341 /nfs/dbraw/zinc/24/43/41/262244341.db2.gz AHYIEZUVSGCJTJ-CYBMUJFWSA-N 2 1 289.810 3.089 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCC4)C[C@H]3C2)cc1 ZINC000390795036 262346547 /nfs/dbraw/zinc/34/65/47/262346547.db2.gz IOGGTEPNCBMXEJ-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC000390795036 262346548 /nfs/dbraw/zinc/34/65/48/262346548.db2.gz IOGGTEPNCBMXEJ-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC000390795036 262346549 /nfs/dbraw/zinc/34/65/49/262346549.db2.gz IOGGTEPNCBMXEJ-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000390806837 262347869 /nfs/dbraw/zinc/34/78/69/262347869.db2.gz LBULGJHDVUMPCD-LMSBXDPUSA-N 2 1 272.436 3.143 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189277725 264286722 /nfs/dbraw/zinc/28/67/22/264286722.db2.gz MOJUQAPMKUIARC-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189277725 264286724 /nfs/dbraw/zinc/28/67/24/264286724.db2.gz MOJUQAPMKUIARC-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043388589 270034170 /nfs/dbraw/zinc/03/41/70/270034170.db2.gz GMCCASAJXZBHLT-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044534822 270036439 /nfs/dbraw/zinc/03/64/39/270036439.db2.gz SHAGQVUDTPNONF-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044535473 270036450 /nfs/dbraw/zinc/03/64/50/270036450.db2.gz XNHKNAMLTXDEDZ-DOTOQJQBSA-N 2 1 260.425 3.459 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCOC)CCCCC2)[C@H](C)C1 ZINC000186881419 270067329 /nfs/dbraw/zinc/06/73/29/270067329.db2.gz NXEWZTRDRHRNJE-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000192766356 270077892 /nfs/dbraw/zinc/07/78/92/270077892.db2.gz LWQVEHVDKHOLGC-UHFFFAOYSA-N 2 1 295.515 3.056 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000223042243 270086231 /nfs/dbraw/zinc/08/62/31/270086231.db2.gz PGNYZLXJGYUJMB-BPUTZDHNSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000223042243 270086232 /nfs/dbraw/zinc/08/62/32/270086232.db2.gz PGNYZLXJGYUJMB-BPUTZDHNSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000321963884 270093224 /nfs/dbraw/zinc/09/32/24/270093224.db2.gz ZAPZEJAJXPRFJW-ATLSCFEFSA-N 2 1 272.436 3.143 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCC1 ZINC000322854285 270094211 /nfs/dbraw/zinc/09/42/11/270094211.db2.gz QVEYPDVUYDXVRA-WTXIUTQJSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000322854285 270094212 /nfs/dbraw/zinc/09/42/12/270094212.db2.gz QVEYPDVUYDXVRA-WTXIUTQJSA-N 2 1 250.430 3.170 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322908320 270094235 /nfs/dbraw/zinc/09/42/35/270094235.db2.gz IVXBOYLTTPNVSG-HNSVSWJLSA-N 2 1 288.435 3.361 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322908320 270094236 /nfs/dbraw/zinc/09/42/36/270094236.db2.gz IVXBOYLTTPNVSG-HNSVSWJLSA-N 2 1 288.435 3.361 20 0 CGADMP C[C@H]1CCC[C@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322849983 270094247 /nfs/dbraw/zinc/09/42/47/270094247.db2.gz OUUICVVXEMDVPM-UUQIVFDPSA-N 2 1 250.430 3.026 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354174297 270095606 /nfs/dbraw/zinc/09/56/06/270095606.db2.gz BMEMINKFCCNCCT-SFHVURJKSA-N 2 1 290.426 3.306 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354174297 270095607 /nfs/dbraw/zinc/09/56/07/270095607.db2.gz BMEMINKFCCNCCT-SFHVURJKSA-N 2 1 290.426 3.306 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354174297 270095608 /nfs/dbraw/zinc/09/56/08/270095608.db2.gz BMEMINKFCCNCCT-SFHVURJKSA-N 2 1 290.426 3.306 20 0 CGADMP CCc1cccc(F)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354174297 270095609 /nfs/dbraw/zinc/09/56/09/270095609.db2.gz BMEMINKFCCNCCT-SFHVURJKSA-N 2 1 290.426 3.306 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459447949 270096304 /nfs/dbraw/zinc/09/63/04/270096304.db2.gz VPCSOKMNKORQGQ-GOEBONIOSA-N 2 1 282.497 3.267 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000519797100 270097923 /nfs/dbraw/zinc/09/79/23/270097923.db2.gz ZXRVOXCBVUMUSU-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000519797100 270097924 /nfs/dbraw/zinc/09/79/24/270097924.db2.gz ZXRVOXCBVUMUSU-XLAORIBOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C[NH2+]C1CCC(CC)CC1)[NH+]1CCCC1 ZINC000525181056 270117796 /nfs/dbraw/zinc/11/77/96/270117796.db2.gz GTAWAMQGGWJHBU-UYSNPLJNSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527353 270182788 /nfs/dbraw/zinc/18/27/88/270182788.db2.gz DASLJUAZJYRACF-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527353 270182789 /nfs/dbraw/zinc/18/27/89/270182789.db2.gz DASLJUAZJYRACF-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527353 270182790 /nfs/dbraw/zinc/18/27/90/270182790.db2.gz DASLJUAZJYRACF-KBXCAEBGSA-N 2 1 285.435 3.330 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568541 270185110 /nfs/dbraw/zinc/18/51/10/270185110.db2.gz BEBVYMZBJPIWRZ-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568541 270185111 /nfs/dbraw/zinc/18/51/11/270185111.db2.gz BEBVYMZBJPIWRZ-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568541 270185112 /nfs/dbraw/zinc/18/51/12/270185112.db2.gz BEBVYMZBJPIWRZ-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(OC)cc1 ZINC000530232760 270196943 /nfs/dbraw/zinc/19/69/43/270196943.db2.gz RNZHXMKOKJRVBI-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000530242231 270197383 /nfs/dbraw/zinc/19/73/83/270197383.db2.gz ANRLOVZGQLTQNY-WBVHZDCISA-N 2 1 290.451 3.295 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCc1c[nH+]cn1C ZINC000530460191 270200128 /nfs/dbraw/zinc/20/01/28/270200128.db2.gz SQCFQFPMCALHRT-QGZVFWFLSA-N 2 1 283.419 3.247 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CCS2 ZINC000293364297 274132658 /nfs/dbraw/zinc/13/26/58/274132658.db2.gz HOVJTPVIAFHXDF-WFASDCNBSA-N 2 1 294.464 3.019 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3)[C@H](C)[NH3+] ZINC000423454102 274261806 /nfs/dbraw/zinc/26/18/06/274261806.db2.gz YOFTZGSJKHYHDA-AHIWAGSCSA-N 2 1 288.435 3.104 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2cccnc21 ZINC000290609596 274334587 /nfs/dbraw/zinc/33/45/87/274334587.db2.gz WKJVPHSCWHGZQT-PBHICJAKSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2cccnc21 ZINC000290609596 274334589 /nfs/dbraw/zinc/33/45/89/274334589.db2.gz WKJVPHSCWHGZQT-PBHICJAKSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2cccnc21 ZINC000290609596 274334591 /nfs/dbraw/zinc/33/45/91/274334591.db2.gz WKJVPHSCWHGZQT-PBHICJAKSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2cccnc21 ZINC000290609596 274334594 /nfs/dbraw/zinc/33/45/94/274334594.db2.gz WKJVPHSCWHGZQT-PBHICJAKSA-N 2 1 283.419 3.007 20 0 CGADMP c1ccc(CC[C@H](Cc2ccccc2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414867498 275066737 /nfs/dbraw/zinc/06/67/37/275066737.db2.gz GFHOQOKHQPFMBL-WOJBJXKFSA-N 2 1 294.442 3.182 20 0 CGADMP C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)OC1CCCCCC1 ZINC000420324262 275391748 /nfs/dbraw/zinc/39/17/48/275391748.db2.gz HHNSHLIIYRBOSY-IRXDYDNUSA-N 2 1 294.483 3.047 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000279057256 275868390 /nfs/dbraw/zinc/86/83/90/275868390.db2.gz YOHYKIPYGZEHQN-PBHICJAKSA-N 2 1 295.430 3.458 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353994663 276008889 /nfs/dbraw/zinc/00/88/89/276008889.db2.gz COVDUELHHPPPOJ-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000353994663 276008890 /nfs/dbraw/zinc/00/88/90/276008890.db2.gz COVDUELHHPPPOJ-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000276866558 276096542 /nfs/dbraw/zinc/09/65/42/276096542.db2.gz HDBYMAKPHUYCBW-MRXNPFEDSA-N 2 1 290.451 3.216 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000276866558 276096543 /nfs/dbraw/zinc/09/65/43/276096543.db2.gz HDBYMAKPHUYCBW-MRXNPFEDSA-N 2 1 290.451 3.216 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@@H](C)C1 ZINC000424346337 276217122 /nfs/dbraw/zinc/21/71/22/276217122.db2.gz JMEWMFWUOFOWLQ-QMCVQRASSA-N 2 1 264.457 3.275 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000423298415 276240348 /nfs/dbraw/zinc/24/03/48/276240348.db2.gz OJJXQCCRCYFECN-JSGCOSHPSA-N 2 1 264.438 3.331 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000516449713 276264669 /nfs/dbraw/zinc/26/46/69/276264669.db2.gz KSJOKMZEHIUYSB-JQWIXIFHSA-N 2 1 270.467 3.263 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C12CCC2 ZINC000422783231 276355455 /nfs/dbraw/zinc/35/54/55/276355455.db2.gz NVQWUFYPLHEMHD-LUKYLMHMSA-N 2 1 286.419 3.069 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(SC)CCC2)C[C@@H]1C ZINC000356139511 276398640 /nfs/dbraw/zinc/39/86/40/276398640.db2.gz SPTYTLZRXAGAFE-KBPBESRZSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(SC)CCC2)C[C@@H]1C ZINC000356139511 276398642 /nfs/dbraw/zinc/39/86/42/276398642.db2.gz SPTYTLZRXAGAFE-KBPBESRZSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(SC)CCC2)C[C@@H]1C ZINC000356139511 276398644 /nfs/dbraw/zinc/39/86/44/276398644.db2.gz SPTYTLZRXAGAFE-KBPBESRZSA-N 2 1 270.486 3.077 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176153 277053300 /nfs/dbraw/zinc/05/33/00/277053300.db2.gz IBHHUSXQWLPGMA-BLLLJJGKSA-N 2 1 294.389 3.274 20 0 CGADMP COC1(CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000339085117 277183539 /nfs/dbraw/zinc/18/35/39/277183539.db2.gz PBYXMZDRWHOLEY-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000361110871 277213868 /nfs/dbraw/zinc/21/38/68/277213868.db2.gz ICNSTWVLDCKWIA-SJLPKXTDSA-N 2 1 292.467 3.330 20 0 CGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000361110871 277213870 /nfs/dbraw/zinc/21/38/70/277213870.db2.gz ICNSTWVLDCKWIA-SJLPKXTDSA-N 2 1 292.467 3.330 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334997200 277283495 /nfs/dbraw/zinc/28/34/95/277283495.db2.gz BBFFVDXPLDNVNP-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000089607683 277723187 /nfs/dbraw/zinc/72/31/87/277723187.db2.gz IEGQZQJNWAIBJY-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000221950595 277780427 /nfs/dbraw/zinc/78/04/27/277780427.db2.gz TVFDJDOJGFGGRQ-DVOMOZLQSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423326415 278057982 /nfs/dbraw/zinc/05/79/82/278057982.db2.gz MFEBEDAWATVDIY-MRXNPFEDSA-N 2 1 288.435 3.495 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000396713146 288015724 /nfs/dbraw/zinc/01/57/24/288015724.db2.gz MZBBZYNRLXIHFE-KUQKPQIMSA-N 2 1 272.436 3.443 20 0 CGADMP CC(CC[NH+]1CC[C@H](C)C1)CC[N@H+]1CC[C@H](C)C1 ZINC000411215758 278155918 /nfs/dbraw/zinc/15/59/18/278155918.db2.gz RYMQNDHCHGDGHG-HOTGVXAUSA-N 2 1 252.446 3.086 20 0 CGADMP CS[C@H]1CCCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000372182311 278160863 /nfs/dbraw/zinc/16/08/63/278160863.db2.gz VSRPCIDLNCYNKM-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP CS[C@H]1CCCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000372182311 278160865 /nfs/dbraw/zinc/16/08/65/278160865.db2.gz VSRPCIDLNCYNKM-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP CS[C@H]1CCCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000372182311 278160868 /nfs/dbraw/zinc/16/08/68/278160868.db2.gz VSRPCIDLNCYNKM-CABCVRRESA-N 2 1 270.486 3.078 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000423342277 278184239 /nfs/dbraw/zinc/18/42/39/278184239.db2.gz YWFOCIZYENOPLO-QMTHXVAHSA-N 2 1 252.789 3.044 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000423394270 278222541 /nfs/dbraw/zinc/22/25/41/278222541.db2.gz RXKLAHIHGIPQFZ-CQSZACIVSA-N 2 1 250.430 3.077 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000397427467 288023729 /nfs/dbraw/zinc/02/37/29/288023729.db2.gz YGSNDVLQIDDYQW-RFGFWPKPSA-N 2 1 274.399 3.117 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000226902240 278243357 /nfs/dbraw/zinc/24/33/57/278243357.db2.gz DJFLTAVGYSBBEG-KKUMJFAQSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000226902240 278243359 /nfs/dbraw/zinc/24/33/59/278243359.db2.gz DJFLTAVGYSBBEG-KKUMJFAQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](C[NH2+]Cc1cscc1C(F)(F)F)C[NH+](C)C ZINC000491588663 278283634 /nfs/dbraw/zinc/28/36/34/278283634.db2.gz KHBITGNDRBNART-VIFPVBQESA-N 2 1 280.359 3.054 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[NH+]1CCCC1 ZINC000397753906 288029472 /nfs/dbraw/zinc/02/94/72/288029472.db2.gz PZWYLKCYCTUZAF-ZNMIVQPWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)C[NH+](C)C ZINC000293905932 278285232 /nfs/dbraw/zinc/28/52/32/278285232.db2.gz ZUMAVDYXZLVOBT-SMDDNHRTSA-N 2 1 282.428 3.150 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397776977 288030159 /nfs/dbraw/zinc/03/01/59/288030159.db2.gz NZJFMJCTKQOGNT-IMJJTQAJSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420403394 278312889 /nfs/dbraw/zinc/31/28/89/278312889.db2.gz RIAYOPPNKIUDGC-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCOC1CCCCCC1)CC[NH2+]CC2 ZINC000424302462 278327827 /nfs/dbraw/zinc/32/78/27/278327827.db2.gz ZOLMIVGODZUZEX-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000037267146 278335041 /nfs/dbraw/zinc/33/50/41/278335041.db2.gz XPACPYOFRDTPJZ-LLVKDONJSA-N 2 1 286.341 3.450 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000398036936 288037990 /nfs/dbraw/zinc/03/79/90/288037990.db2.gz QGUITKAZUXDMQN-HNAYVOBHSA-N 2 1 295.430 3.134 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453107198 288075851 /nfs/dbraw/zinc/07/58/51/288075851.db2.gz KNKSJMRHNMWSRO-DYVFJYSZSA-N 2 1 275.440 3.386 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)CC(C)C ZINC000507471254 279165213 /nfs/dbraw/zinc/16/52/13/279165213.db2.gz OTWVAYBPCJKAKO-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000149388767 279261988 /nfs/dbraw/zinc/26/19/88/279261988.db2.gz WMQDUKCGLJESNA-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP Clc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414926556 279292463 /nfs/dbraw/zinc/29/24/63/279292463.db2.gz NLBQJEWLMHTRMY-OAGGEKHMSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414839444 279377034 /nfs/dbraw/zinc/37/70/34/279377034.db2.gz GABVUKLJCKDSFW-GHMZBOCLSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000132305500 279380648 /nfs/dbraw/zinc/38/06/48/279380648.db2.gz OQROWFPRNUOJNQ-MRXNPFEDSA-N 2 1 274.452 3.139 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(F)(F)F)[C@@H](C)C1 ZINC000443573878 279398230 /nfs/dbraw/zinc/39/82/30/279398230.db2.gz AUMHSKSKEGMYQQ-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)[C@@H](C)C1 ZINC000443573878 279398231 /nfs/dbraw/zinc/39/82/31/279398231.db2.gz AUMHSKSKEGMYQQ-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)[C@@H](C)C1 ZINC000443573878 279398232 /nfs/dbraw/zinc/39/82/32/279398232.db2.gz AUMHSKSKEGMYQQ-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1nccc2ccccc21 ZINC000423392570 279543281 /nfs/dbraw/zinc/54/32/81/279543281.db2.gz XSSOIXKAABJVMA-IPYPFGDCSA-N 2 1 269.392 3.026 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCC23CCCC3)C[C@H](C)O1 ZINC000249060383 288161320 /nfs/dbraw/zinc/16/13/20/288161320.db2.gz JKIFDTIKWMFLKF-BBWFWOEESA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]c2ccccc2c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000443434972 280184578 /nfs/dbraw/zinc/18/45/78/280184578.db2.gz FPZMMNDKXWIZFC-JKSUJKDBSA-N 2 1 295.430 3.312 20 0 CGADMP COc1ccc(C(C)(C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1F ZINC000528676686 288216344 /nfs/dbraw/zinc/21/63/44/288216344.db2.gz VSYZBDFFQYKQSL-CQSZACIVSA-N 2 1 294.414 3.143 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414196899 280273259 /nfs/dbraw/zinc/27/32/59/280273259.db2.gz VNXGQKWJKZHBAI-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449433196 280296206 /nfs/dbraw/zinc/29/62/06/280296206.db2.gz LDTHHAOQOANBIB-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1Cl ZINC000422742434 280334135 /nfs/dbraw/zinc/33/41/35/280334135.db2.gz GNHPXKVESQEBPV-ABAIWWIYSA-N 2 1 266.816 3.235 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251137904 281050890 /nfs/dbraw/zinc/05/08/90/281050890.db2.gz INAJIJHBFYJATO-KKUMJFAQSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000268874062 281059596 /nfs/dbraw/zinc/05/95/96/281059596.db2.gz DNCYTINHZIDSBT-QRTARXTBSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000268874062 281059597 /nfs/dbraw/zinc/05/95/97/281059597.db2.gz DNCYTINHZIDSBT-QRTARXTBSA-N 2 1 258.409 3.055 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000530547497 288309371 /nfs/dbraw/zinc/30/93/71/288309371.db2.gz DHZSOVAZPBUZIG-ZDUSSCGKSA-N 2 1 280.843 3.334 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000530547497 288309372 /nfs/dbraw/zinc/30/93/72/288309372.db2.gz DHZSOVAZPBUZIG-ZDUSSCGKSA-N 2 1 280.843 3.334 20 0 CGADMP CN(CCc1c(F)cccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000531340090 288334618 /nfs/dbraw/zinc/33/46/18/288334618.db2.gz WSOYVVXJYUEPGU-CYBMUJFWSA-N 2 1 298.833 3.295 20 0 CGADMP C[NH+](CCc1c(F)cccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000531340090 288334623 /nfs/dbraw/zinc/33/46/23/288334623.db2.gz WSOYVVXJYUEPGU-CYBMUJFWSA-N 2 1 298.833 3.295 20 0 CGADMP C[NH+](CCc1c(F)cccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000531340090 288334624 /nfs/dbraw/zinc/33/46/24/288334624.db2.gz WSOYVVXJYUEPGU-CYBMUJFWSA-N 2 1 298.833 3.295 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000532225422 288356218 /nfs/dbraw/zinc/35/62/18/288356218.db2.gz YSFKVIVMXWUCCB-WMZOPIPTSA-N 2 1 272.436 3.459 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C1(CC)CC ZINC000532249993 288358811 /nfs/dbraw/zinc/35/88/11/288358811.db2.gz KYDQGQBYTUBRGI-LUKYLMHMSA-N 2 1 296.499 3.290 20 0 CGADMP C[NH+](C)CC1(C[NH2+][C@H]2CCCc3occc32)CCCC1 ZINC000193287563 282075102 /nfs/dbraw/zinc/07/51/02/282075102.db2.gz YKCFSVVXCUUXPP-HNNXBMFYSA-N 2 1 276.424 3.369 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000533531841 288385449 /nfs/dbraw/zinc/38/54/49/288385449.db2.gz KNSDOMKRHLSFES-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000533531841 288385451 /nfs/dbraw/zinc/38/54/51/288385451.db2.gz KNSDOMKRHLSFES-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000533531841 288385452 /nfs/dbraw/zinc/38/54/52/288385452.db2.gz KNSDOMKRHLSFES-CRAIPNDOSA-N 2 1 274.452 3.411 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000539411384 288613978 /nfs/dbraw/zinc/61/39/78/288613978.db2.gz JOUODDUPAWTKPH-LYASGUKUSA-N 2 1 299.418 3.139 20 0 CGADMP C(C[N@H+]1CC[C@@H](CC2CC2)C1)N1CC[C@@H](CC2CC2)C1 ZINC000550032520 289065122 /nfs/dbraw/zinc/06/51/22/289065122.db2.gz PJVZZTCURIUUDG-ROUUACIJSA-N 2 1 276.468 3.230 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251249727 289097673 /nfs/dbraw/zinc/09/76/73/289097673.db2.gz VHGAIZASLVWKJE-CHWSQXEVSA-N 2 1 264.438 3.057 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000551132179 289099670 /nfs/dbraw/zinc/09/96/70/289099670.db2.gz DDXDDLQWEMFYNC-SJORKVTESA-N 2 1 270.420 3.354 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000551132179 289099672 /nfs/dbraw/zinc/09/96/72/289099672.db2.gz DDXDDLQWEMFYNC-SJORKVTESA-N 2 1 270.420 3.354 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551176801 289100782 /nfs/dbraw/zinc/10/07/82/289100782.db2.gz FVDMZILAUQAXBK-SJORKVTESA-N 2 1 258.409 3.378 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551176801 289100783 /nfs/dbraw/zinc/10/07/83/289100783.db2.gz FVDMZILAUQAXBK-SJORKVTESA-N 2 1 258.409 3.378 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000551788701 289132861 /nfs/dbraw/zinc/13/28/61/289132861.db2.gz FXISCGYLAQFRNL-LZQZEXGQSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000551788701 289132864 /nfs/dbraw/zinc/13/28/64/289132864.db2.gz FXISCGYLAQFRNL-LZQZEXGQSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1ccccc1C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000551793730 289133379 /nfs/dbraw/zinc/13/33/79/289133379.db2.gz GYDUGRCGAMZINB-MOPGFXCFSA-N 2 1 286.463 3.246 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC1(C)C)C1CCCCC1 ZINC000551792853 289133433 /nfs/dbraw/zinc/13/34/33/289133433.db2.gz PTDOAKCOHZBQRD-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552062021 289157517 /nfs/dbraw/zinc/15/75/17/289157517.db2.gz IRGHNPCQHNQPJZ-APAFKAMOSA-N 2 1 284.447 3.080 20 0 CGADMP Cc1ccc(OCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000552900951 289201902 /nfs/dbraw/zinc/20/19/02/289201902.db2.gz HUHLKOBQLFBACT-IXDOHACOSA-N 2 1 290.451 3.001 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132856744 289213472 /nfs/dbraw/zinc/21/34/72/289213472.db2.gz SYTFOYVNAFUCSO-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC(C)CC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000555162828 289330806 /nfs/dbraw/zinc/33/08/06/289330806.db2.gz DWWQREXAEJSNHE-CVEARBPZSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C2CC2)[C@@H]2CCC[C@H]21 ZINC000556254092 289382217 /nfs/dbraw/zinc/38/22/17/289382217.db2.gz LSTCRMJTVCZVBD-HRCADAONSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000556582485 289397739 /nfs/dbraw/zinc/39/77/39/289397739.db2.gz AIKZOULWASCLQV-QFBILLFUSA-N 2 1 286.463 3.248 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cs1 ZINC000449238009 533692879 /nfs/dbraw/zinc/69/28/79/533692879.db2.gz DZLVOQCGULSQFU-ZDUSSCGKSA-N 2 1 266.454 3.411 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000314510104 290387413 /nfs/dbraw/zinc/38/74/13/290387413.db2.gz FHHXPSRRRTZKPI-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP COC[C@H](CC(C)C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512331880 293094284 /nfs/dbraw/zinc/09/42/84/293094284.db2.gz LVUYNFDRFPOIPO-IKGGRYGDSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000423258502 293244879 /nfs/dbraw/zinc/24/48/79/293244879.db2.gz BPBNFNZCPOPMJC-SMDDNHRTSA-N 2 1 281.469 3.318 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1F ZINC000423267530 295019920 /nfs/dbraw/zinc/01/99/20/295019920.db2.gz TWYPLPJVXURDOK-WBMJQRKESA-N 2 1 294.414 3.393 20 0 CGADMP COc1ccc(C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C2CC2)cc1 ZINC000414683076 295127272 /nfs/dbraw/zinc/12/72/72/295127272.db2.gz SMLUSAXHXIQOBV-GOEBONIOSA-N 2 1 288.435 3.048 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000422779723 295245835 /nfs/dbraw/zinc/24/58/35/295245835.db2.gz GKSXGSIFPWMUOJ-RRQGHBQHSA-N 2 1 276.424 3.122 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CCCCC1 ZINC000423272108 295264445 /nfs/dbraw/zinc/26/44/45/295264445.db2.gz YLOMWQXWLKYONJ-OAGGEKHMSA-N 2 1 250.430 3.062 20 0 CGADMP COc1ccccc1/C=C\C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414831546 295348569 /nfs/dbraw/zinc/34/85/69/295348569.db2.gz CLCDDKIBTIFEGK-CGICMKJESA-N 2 1 288.435 3.206 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423398255 297449605 /nfs/dbraw/zinc/44/96/05/297449605.db2.gz VEGBWEMAKGPVPU-KYOSRNDESA-N 2 1 294.826 3.284 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)o1 ZINC000183955573 301710406 /nfs/dbraw/zinc/71/04/06/301710406.db2.gz WYAAEIASRSSYAB-CQSZACIVSA-N 2 1 264.413 3.361 20 0 CGADMP CCCC[C@@H](C)[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000582145427 328301495 /nfs/dbraw/zinc/30/14/95/328301495.db2.gz HFODHEGKPZZRLD-IAGOWNOFSA-N 2 1 297.531 3.064 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1nccn1-c1ccccc1 ZINC000563951084 322016447 /nfs/dbraw/zinc/01/64/47/322016447.db2.gz OKXCCEKMMBKDTP-YQQAZPJKSA-N 2 1 298.434 3.040 20 0 CGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1F ZINC000563969357 322017037 /nfs/dbraw/zinc/01/70/37/322017037.db2.gz RSFKPBRZCIRJSS-MRXNPFEDSA-N 2 1 293.361 3.372 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000564097925 322020572 /nfs/dbraw/zinc/02/05/72/322020572.db2.gz FSBFDBXJNTZKHH-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000564097925 322020574 /nfs/dbraw/zinc/02/05/74/322020574.db2.gz FSBFDBXJNTZKHH-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000564097925 322020575 /nfs/dbraw/zinc/02/05/75/322020575.db2.gz FSBFDBXJNTZKHH-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c1C ZINC000566417287 322121575 /nfs/dbraw/zinc/12/15/75/322121575.db2.gz WZCHRVQWSCUOSQ-HNNXBMFYSA-N 2 1 271.408 3.320 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000567868187 322180807 /nfs/dbraw/zinc/18/08/07/322180807.db2.gz VVSGEMHFNWTVBZ-NNXHMXCWSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2s1 ZINC000568161922 322194993 /nfs/dbraw/zinc/19/49/93/322194993.db2.gz LTEFEAOZGGGULT-YPMHNXCESA-N 2 1 260.406 3.213 20 0 CGADMP CC(C)Cc1ncc(CNC[C@@H]2CC[N@H+](C(C)C)C2)s1 ZINC000568799947 322223079 /nfs/dbraw/zinc/22/30/79/322223079.db2.gz JBKUAHZUHATLAC-AWEZNQCLSA-N 2 1 295.496 3.162 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000568799947 322223080 /nfs/dbraw/zinc/22/30/80/322223080.db2.gz JBKUAHZUHATLAC-AWEZNQCLSA-N 2 1 295.496 3.162 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)s1 ZINC000568799947 322223082 /nfs/dbraw/zinc/22/30/82/322223082.db2.gz JBKUAHZUHATLAC-AWEZNQCLSA-N 2 1 295.496 3.162 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000569413645 322246746 /nfs/dbraw/zinc/24/67/46/322246746.db2.gz PFHJASKONNSTGF-LSDHHAIUSA-N 2 1 266.429 3.311 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000569413645 322246748 /nfs/dbraw/zinc/24/67/48/322246748.db2.gz PFHJASKONNSTGF-LSDHHAIUSA-N 2 1 266.429 3.311 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCC2(F)F)CC1 ZINC000569674030 322253732 /nfs/dbraw/zinc/25/37/32/322253732.db2.gz HWUPMNJFOGNWBB-HNNXBMFYSA-N 2 1 288.426 3.474 20 0 CGADMP CCc1ccc2[nH+]ccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000570131523 322265446 /nfs/dbraw/zinc/26/54/46/322265446.db2.gz FXCRDQVULIHTOJ-HNNXBMFYSA-N 2 1 295.430 3.115 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000571154771 322291447 /nfs/dbraw/zinc/29/14/47/322291447.db2.gz WITOWTMPMBNMJA-LSDHHAIUSA-N 2 1 299.462 3.345 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000571154771 322291449 /nfs/dbraw/zinc/29/14/49/322291449.db2.gz WITOWTMPMBNMJA-LSDHHAIUSA-N 2 1 299.462 3.345 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1Cl ZINC000577944779 327289524 /nfs/dbraw/zinc/28/95/24/327289524.db2.gz MNZNZZWYRDPRFQ-OAHLLOKOSA-N 2 1 280.843 3.468 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582467029 329088694 /nfs/dbraw/zinc/08/86/94/329088694.db2.gz JLGRSPXQHCNRST-YYIAUSFCSA-N 2 1 296.499 3.433 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582467029 329088696 /nfs/dbraw/zinc/08/86/96/329088696.db2.gz JLGRSPXQHCNRST-YYIAUSFCSA-N 2 1 296.499 3.433 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000582501862 329098149 /nfs/dbraw/zinc/09/81/49/329098149.db2.gz SPDHEEUXCXOZSS-HNNXBMFYSA-N 2 1 254.462 3.236 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000397751966 329390315 /nfs/dbraw/zinc/39/03/15/329390315.db2.gz CCONRNSLJSIDCB-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414191424 533709684 /nfs/dbraw/zinc/70/96/84/533709684.db2.gz SLXRYOKBBCMMDY-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643231 330144900 /nfs/dbraw/zinc/14/49/00/330144900.db2.gz FPWNJPSURHKALT-WBVHZDCISA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643231 330144901 /nfs/dbraw/zinc/14/49/01/330144901.db2.gz FPWNJPSURHKALT-WBVHZDCISA-N 2 1 260.425 3.429 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000576596788 335224349 /nfs/dbraw/zinc/22/43/49/335224349.db2.gz ZVCNXLIWDOVCHP-QGZVFWFLSA-N 2 1 283.419 3.060 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000576596788 335224350 /nfs/dbraw/zinc/22/43/50/335224350.db2.gz ZVCNXLIWDOVCHP-QGZVFWFLSA-N 2 1 283.419 3.060 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000576596788 335224351 /nfs/dbraw/zinc/22/43/51/335224351.db2.gz ZVCNXLIWDOVCHP-QGZVFWFLSA-N 2 1 283.419 3.060 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000576755027 335243588 /nfs/dbraw/zinc/24/35/88/335243588.db2.gz BKFMIEYZBYDQMB-JKSUJKDBSA-N 2 1 295.430 3.369 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000577561330 335368657 /nfs/dbraw/zinc/36/86/57/335368657.db2.gz KHGNNOABTBYVHR-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3occc3c2)C1 ZINC000581516188 336092763 /nfs/dbraw/zinc/09/27/63/336092763.db2.gz ZYFDAUIMZWZZLY-SJORKVTESA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3occc3c2)C1 ZINC000581516188 336092764 /nfs/dbraw/zinc/09/27/64/336092764.db2.gz ZYFDAUIMZWZZLY-SJORKVTESA-N 2 1 284.403 3.349 20 0 CGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000582011035 336191362 /nfs/dbraw/zinc/19/13/62/336191362.db2.gz NRQMXOLOVZXSPJ-DLBZAZTESA-N 2 1 292.467 3.066 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000037643980 521710755 /nfs/dbraw/zinc/71/07/55/521710755.db2.gz FGPJKZUCASHMQO-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423306060 533774156 /nfs/dbraw/zinc/77/41/56/533774156.db2.gz LCRMEYWXGHCVFM-UGSOOPFHSA-N 2 1 295.386 3.102 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(Br)cs1 ZINC000423342598 533835063 /nfs/dbraw/zinc/83/50/63/533835063.db2.gz YZHDFSSTIOIBCB-QMMMGPOBSA-N 2 1 289.242 3.043 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423273249 533995406 /nfs/dbraw/zinc/99/54/06/533995406.db2.gz IWIVNMYQTSBIAC-TVQRCGJNSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1csc(Cl)c1 ZINC000423408335 534005698 /nfs/dbraw/zinc/00/56/98/534005698.db2.gz XHXMWFIRHJOWFT-YWVKMMECSA-N 2 1 258.818 3.050 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cnc2ccsc2c1 ZINC000423403041 534006608 /nfs/dbraw/zinc/00/66/08/534006608.db2.gz XZCMTLNMBPZMAP-MDZLAQPJSA-N 2 1 275.421 3.087 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359228657 534044315 /nfs/dbraw/zinc/04/43/15/534044315.db2.gz XDMXUWWBXVBINU-LBPRGKRZSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccccc2C)C1 ZINC000084678480 520255371 /nfs/dbraw/zinc/25/53/71/520255371.db2.gz MNQOTUFFJVQVAM-QGZVFWFLSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC000084678480 520255380 /nfs/dbraw/zinc/25/53/80/520255380.db2.gz MNQOTUFFJVQVAM-QGZVFWFLSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000084678480 520255387 /nfs/dbraw/zinc/25/53/87/520255387.db2.gz MNQOTUFFJVQVAM-QGZVFWFLSA-N 2 1 274.452 3.201 20 0 CGADMP Cc1occc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000414326919 534578086 /nfs/dbraw/zinc/57/80/86/534578086.db2.gz OAYRLQRDTGSBOA-GOSISDBHSA-N 2 1 298.430 3.242 20 0 CGADMP Cc1occc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000414326919 534578091 /nfs/dbraw/zinc/57/80/91/534578091.db2.gz OAYRLQRDTGSBOA-GOSISDBHSA-N 2 1 298.430 3.242 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000037643691 521717592 /nfs/dbraw/zinc/71/75/92/521717592.db2.gz LKYWXHUFCHKFAR-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP C[NH+](C/C=C/C[N@H+](C)CC1CCC1)CC1CCC1 ZINC000111295989 522403435 /nfs/dbraw/zinc/40/34/35/522403435.db2.gz YUXKZZOVSLXHAH-ONEGZZNKSA-N 2 1 250.430 3.006 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC000291508925 524017366 /nfs/dbraw/zinc/01/73/66/524017366.db2.gz IDRCKLBKERSAMA-CALCHBBNSA-N 2 1 286.463 3.020 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC000291508925 524017368 /nfs/dbraw/zinc/01/73/68/524017368.db2.gz IDRCKLBKERSAMA-CALCHBBNSA-N 2 1 286.463 3.020 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC000291508925 524017371 /nfs/dbraw/zinc/01/73/71/524017371.db2.gz IDRCKLBKERSAMA-CALCHBBNSA-N 2 1 286.463 3.020 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000449163866 534769807 /nfs/dbraw/zinc/76/98/07/534769807.db2.gz NRXVONUSPOSESN-OAHLLOKOSA-N 2 1 261.413 3.284 20 0 CGADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000184955235 524433742 /nfs/dbraw/zinc/43/37/42/524433742.db2.gz QPFQKAHESUAUKW-RDTXWAMCSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Sc1ccccc1 ZINC000129694453 524497946 /nfs/dbraw/zinc/49/79/46/524497946.db2.gz ZIJCNFXZLPVXTE-RRFJBIMHSA-N 2 1 278.465 3.240 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608798 525363085 /nfs/dbraw/zinc/36/30/85/525363085.db2.gz FYQYMEWAJNVZIL-DOTOQJQBSA-N 2 1 298.434 3.007 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000049159321 525723548 /nfs/dbraw/zinc/72/35/48/525723548.db2.gz ZDNPKVCEOZLULS-RLAWYHOSSA-N 2 1 264.438 3.332 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425934956 534878924 /nfs/dbraw/zinc/87/89/24/534878924.db2.gz BJQLWCCLLLBLAO-VXGBXAGGSA-N 2 1 283.485 3.423 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425934954 534879036 /nfs/dbraw/zinc/87/90/36/534879036.db2.gz BJQLWCCLLLBLAO-NWDGAFQWSA-N 2 1 283.485 3.423 20 0 CGADMP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265641955 526121406 /nfs/dbraw/zinc/12/14/06/526121406.db2.gz KDVBPVMDCKDCSP-DOTOQJQBSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265641955 526121419 /nfs/dbraw/zinc/12/14/19/526121419.db2.gz KDVBPVMDCKDCSP-DOTOQJQBSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265641957 526123018 /nfs/dbraw/zinc/12/30/18/526123018.db2.gz KDVBPVMDCKDCSP-RDJZCZTQSA-N 2 1 273.424 3.093 20 0 CGADMP C[C@@H](c1cccnc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265641957 526123027 /nfs/dbraw/zinc/12/30/27/526123027.db2.gz KDVBPVMDCKDCSP-RDJZCZTQSA-N 2 1 273.424 3.093 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000513091310 534912940 /nfs/dbraw/zinc/91/29/40/534912940.db2.gz ZNDNVCBJYFTLBD-YOEHRIQHSA-N 2 1 278.415 3.221 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000513091310 534912943 /nfs/dbraw/zinc/91/29/43/534912943.db2.gz ZNDNVCBJYFTLBD-YOEHRIQHSA-N 2 1 278.415 3.221 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1(C)C ZINC000462816020 534912988 /nfs/dbraw/zinc/91/29/88/534912988.db2.gz ZPGIFAFRKOULAX-LSDHHAIUSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000184272362 526213403 /nfs/dbraw/zinc/21/34/03/526213403.db2.gz UVSYULZQYQXBMA-HNNXBMFYSA-N 2 1 275.440 3.161 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000513094173 534913898 /nfs/dbraw/zinc/91/38/98/534913898.db2.gz GZZMSWJMSIGWTL-ROUUACIJSA-N 2 1 272.436 3.008 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000513094173 534913902 /nfs/dbraw/zinc/91/39/02/534913902.db2.gz GZZMSWJMSIGWTL-ROUUACIJSA-N 2 1 272.436 3.008 20 0 CGADMP CC(C)(C)OCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000354860027 526548717 /nfs/dbraw/zinc/54/87/17/526548717.db2.gz DKPZNSUOQHAOOM-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000111359982 526744930 /nfs/dbraw/zinc/74/49/30/526744930.db2.gz NVGZTJKRGUERAN-GFCCVEGCSA-N 2 1 281.469 3.287 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC000054602178 527145882 /nfs/dbraw/zinc/14/58/82/527145882.db2.gz SKMJBWCRSXCMAN-MQVJKMGUSA-N 2 1 250.430 3.301 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC000054602178 527145884 /nfs/dbraw/zinc/14/58/84/527145884.db2.gz SKMJBWCRSXCMAN-MQVJKMGUSA-N 2 1 250.430 3.301 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150292023 527194574 /nfs/dbraw/zinc/19/45/74/527194574.db2.gz ZBGUSKDMJAUFCQ-GFCCVEGCSA-N 2 1 268.351 3.185 20 0 CGADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423381351 527446930 /nfs/dbraw/zinc/44/69/30/527446930.db2.gz ZLUBTWTVWSKKSH-CVEARBPZSA-N 2 1 290.451 3.290 20 0 CGADMP C(C1CCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000173644269 527475375 /nfs/dbraw/zinc/47/53/75/527475375.db2.gz LRDVAUVYXPIPHW-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423445734 527782802 /nfs/dbraw/zinc/78/28/02/527782802.db2.gz NEVAJTIYSIHHGY-ILXRZTDVSA-N 2 1 278.440 3.498 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411336137 527817812 /nfs/dbraw/zinc/81/78/12/527817812.db2.gz SIWJLKOMRQBODO-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411336137 527817822 /nfs/dbraw/zinc/81/78/22/527817822.db2.gz SIWJLKOMRQBODO-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411336137 527817831 /nfs/dbraw/zinc/81/78/31/527817831.db2.gz SIWJLKOMRQBODO-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411336137 527817842 /nfs/dbraw/zinc/81/78/42/527817842.db2.gz SIWJLKOMRQBODO-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)C(C)(C)C ZINC000423475389 528222942 /nfs/dbraw/zinc/22/29/42/528222942.db2.gz KGNRGNPVGOXTHT-RYUDHWBXSA-N 2 1 262.388 3.036 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000177243994 528255184 /nfs/dbraw/zinc/25/51/84/528255184.db2.gz VMRNZBBFLAHEST-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC12CCOCC2)CC(C)C ZINC000368521505 528281961 /nfs/dbraw/zinc/28/19/61/528281961.db2.gz GFXMZABQMDJERJ-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449129856 528471446 /nfs/dbraw/zinc/47/14/46/528471446.db2.gz DVPWHAQOLRLAKA-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449129856 528471452 /nfs/dbraw/zinc/47/14/52/528471452.db2.gz DVPWHAQOLRLAKA-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423509387 528598326 /nfs/dbraw/zinc/59/83/26/528598326.db2.gz JPNLSRNVEPCWAC-CXAGYDPISA-N 2 1 276.424 3.253 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C2)[C@@H](C)C1 ZINC000359040630 528669246 /nfs/dbraw/zinc/66/92/46/528669246.db2.gz ZPNLUKLZTUWWTM-XDNAFOTISA-N 2 1 296.499 3.149 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000423288177 528951939 /nfs/dbraw/zinc/95/19/39/528951939.db2.gz QWBKPYIAPCEBFT-OAHLLOKOSA-N 2 1 292.423 3.016 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000423288667 528953143 /nfs/dbraw/zinc/95/31/43/528953143.db2.gz UFIKLBFOAFORRJ-LLVKDONJSA-N 2 1 268.376 3.002 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000423300352 528958135 /nfs/dbraw/zinc/95/81/35/528958135.db2.gz RJHNCNJEBRANQQ-QZTJIDSGSA-N 2 1 274.452 3.423 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000437587440 528971844 /nfs/dbraw/zinc/97/18/44/528971844.db2.gz GJOLQGZLVKNHJR-AWEZNQCLSA-N 2 1 278.415 3.345 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000437587440 528971854 /nfs/dbraw/zinc/97/18/54/528971854.db2.gz GJOLQGZLVKNHJR-AWEZNQCLSA-N 2 1 278.415 3.345 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449131325 529015527 /nfs/dbraw/zinc/01/55/27/529015527.db2.gz LWCDLJQLZNQLBP-AWEZNQCLSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449131325 529015538 /nfs/dbraw/zinc/01/55/38/529015538.db2.gz LWCDLJQLZNQLBP-AWEZNQCLSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423271360 529071953 /nfs/dbraw/zinc/07/19/53/529071953.db2.gz IZZLEWZLYYRBIA-CABCVRRESA-N 2 1 266.816 3.364 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000437763088 529085956 /nfs/dbraw/zinc/08/59/56/529085956.db2.gz WHSCFQPLKWMPLC-RDBSUJKOSA-N 2 1 292.389 3.429 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423493920 529122498 /nfs/dbraw/zinc/12/24/98/529122498.db2.gz RJJGAOYLRHFAND-CVEARBPZSA-N 2 1 296.842 3.005 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1F ZINC000163452822 529155626 /nfs/dbraw/zinc/15/56/26/529155626.db2.gz ADIDXQBOPWJCIE-OAHLLOKOSA-N 2 1 266.404 3.454 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366219563 529373778 /nfs/dbraw/zinc/37/37/78/529373778.db2.gz BBZXQGAGUMTAOX-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000479480846 535432020 /nfs/dbraw/zinc/43/20/20/535432020.db2.gz TWOLMTGJKKDTRL-GOSISDBHSA-N 2 1 274.452 3.461 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380622 536558100 /nfs/dbraw/zinc/55/81/00/536558100.db2.gz MOPRFWIGUNQKIL-AWEZNQCLSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380622 536558104 /nfs/dbraw/zinc/55/81/04/536558104.db2.gz MOPRFWIGUNQKIL-AWEZNQCLSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CCCCCCC2)CC[N@H+]1C ZINC000175999445 618172664 /nfs/dbraw/zinc/17/26/64/618172664.db2.gz ATGQQEZUXAFBLS-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CSCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000891671648 618245305 /nfs/dbraw/zinc/24/53/05/618245305.db2.gz QLMFXEYPAIBSRN-KRWDZBQOSA-N 2 1 292.492 3.323 20 0 CGADMP CSCc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000891671648 618245307 /nfs/dbraw/zinc/24/53/07/618245307.db2.gz QLMFXEYPAIBSRN-KRWDZBQOSA-N 2 1 292.492 3.323 20 0 CGADMP CSCc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000891671648 618245309 /nfs/dbraw/zinc/24/53/09/618245309.db2.gz QLMFXEYPAIBSRN-KRWDZBQOSA-N 2 1 292.492 3.323 20 0 CGADMP CSCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000891671806 618245392 /nfs/dbraw/zinc/24/53/92/618245392.db2.gz QLMFXEYPAIBSRN-QGZVFWFLSA-N 2 1 292.492 3.323 20 0 CGADMP CSCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000891671806 618245394 /nfs/dbraw/zinc/24/53/94/618245394.db2.gz QLMFXEYPAIBSRN-QGZVFWFLSA-N 2 1 292.492 3.323 20 0 CGADMP CSCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000891671806 618245396 /nfs/dbraw/zinc/24/53/96/618245396.db2.gz QLMFXEYPAIBSRN-QGZVFWFLSA-N 2 1 292.492 3.323 20 0 CGADMP Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250754024 618743999 /nfs/dbraw/zinc/74/39/99/618743999.db2.gz MESJPUDYDLQLHB-DJIMGWMZSA-N 2 1 294.389 3.365 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000250679226 618744040 /nfs/dbraw/zinc/74/40/40/618744040.db2.gz CTTIOZVFLKXOFR-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000892584367 618867723 /nfs/dbraw/zinc/86/77/23/618867723.db2.gz JNXWILGDGTVZHH-CQSZACIVSA-N 2 1 294.414 3.276 20 0 CGADMP Fc1ccccc1CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925663042 619118074 /nfs/dbraw/zinc/11/80/74/619118074.db2.gz ONJYFZHHNFJCEX-INIZCTEOSA-N 2 1 276.399 3.023 20 0 CGADMP COc1cccc2cc(CNCCC[N@@H+](C)C(C)C)oc21 ZINC000221789684 619221730 /nfs/dbraw/zinc/22/17/30/619221730.db2.gz MYYNUQWSNLUXGS-UHFFFAOYSA-N 2 1 290.407 3.261 20 0 CGADMP COc1cccc2cc(C[NH2+]CCC[N@H+](C)C(C)C)oc21 ZINC000221789684 619221732 /nfs/dbraw/zinc/22/17/32/619221732.db2.gz MYYNUQWSNLUXGS-UHFFFAOYSA-N 2 1 290.407 3.261 20 0 CGADMP COc1cccc2cc(C[NH2+]CCC[N@@H+](C)C(C)C)oc21 ZINC000221789684 619221733 /nfs/dbraw/zinc/22/17/33/619221733.db2.gz MYYNUQWSNLUXGS-UHFFFAOYSA-N 2 1 290.407 3.261 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925779190 619241712 /nfs/dbraw/zinc/24/17/12/619241712.db2.gz MFTCOKRRXYXDGW-IUODEOHRSA-N 2 1 282.378 3.144 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@@H]2CCc3ccccc32)CC1 ZINC000893860279 619323536 /nfs/dbraw/zinc/32/35/36/619323536.db2.gz ZKNUDSVJQDQVIZ-KRWDZBQOSA-N 2 1 284.447 3.277 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC[NH2+]C1 ZINC000261703619 619375446 /nfs/dbraw/zinc/37/54/46/619375446.db2.gz CSVZDTIHNGHORM-ROUUACIJSA-N 2 1 272.436 3.256 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000261817118 619441656 /nfs/dbraw/zinc/44/16/56/619441656.db2.gz IBRHCXNDUMJHEX-UHFFFAOYSA-N 2 1 288.357 3.431 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000894456812 619543413 /nfs/dbraw/zinc/54/34/13/619543413.db2.gz REVJVYYABYTSCV-RDJZCZTQSA-N 2 1 272.436 3.036 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000894858041 619655603 /nfs/dbraw/zinc/65/56/03/619655603.db2.gz AYIWQFSDEXJRDJ-MRXNPFEDSA-N 2 1 289.467 3.102 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000894862051 619657938 /nfs/dbraw/zinc/65/79/38/619657938.db2.gz ZJNXNPQTRCWASH-NVXWUHKLSA-N 2 1 272.436 3.038 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000262382360 620091397 /nfs/dbraw/zinc/09/13/97/620091397.db2.gz YWQUTVYPSVTLAR-OALUTQOASA-N 2 1 296.414 3.458 20 0 CGADMP Clc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054307 620289537 /nfs/dbraw/zinc/28/95/37/620289537.db2.gz CYAMBNUPKOGAMJ-UHFFFAOYSA-N 2 1 264.800 3.056 20 0 CGADMP c1cc2cc(C[NH+]3CCC([NH2+]C4CCC4)CC3)ccc2[nH]1 ZINC000897980995 620461425 /nfs/dbraw/zinc/46/14/25/620461425.db2.gz HSVMTZJQMIBPKA-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000924688219 620563341 /nfs/dbraw/zinc/56/33/41/620563341.db2.gz RUZCQLXARGZLLS-SQNIBIBYSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2coc3ccccc23)C1 ZINC000924705884 620569391 /nfs/dbraw/zinc/56/93/91/620569391.db2.gz NCCMKWACANYOMM-KBPBESRZSA-N 2 1 272.392 3.425 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1 ZINC000054602273 620577492 /nfs/dbraw/zinc/57/74/92/620577492.db2.gz AKEFTFLJXIWCII-GOOCMWNKSA-N 2 1 264.800 3.184 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC000054602273 620577496 /nfs/dbraw/zinc/57/74/96/620577496.db2.gz AKEFTFLJXIWCII-GOOCMWNKSA-N 2 1 264.800 3.184 20 0 CGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC000898434958 620587466 /nfs/dbraw/zinc/58/74/66/620587466.db2.gz ZSDXSBKXXQQUON-DNTWXYHZSA-N 2 1 270.848 3.372 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841069428 620603293 /nfs/dbraw/zinc/60/32/93/620603293.db2.gz ADAMYRNBEVJPMV-JTQLQIEISA-N 2 1 278.343 3.125 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1c(C)noc1C ZINC000902373460 621278733 /nfs/dbraw/zinc/27/87/33/621278733.db2.gz XLMXNIVZSDDYJJ-KGLIPLIRSA-N 2 1 279.428 3.110 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000902405594 621291836 /nfs/dbraw/zinc/29/18/36/621291836.db2.gz JEGZENVFSSZIRF-UKRRQHHQSA-N 2 1 278.827 3.447 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000902415750 621309120 /nfs/dbraw/zinc/30/91/20/621309120.db2.gz QAJAAFFOGARAPB-MRVPVSSYSA-N 2 1 259.180 3.135 20 0 CGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465721 621338245 /nfs/dbraw/zinc/33/82/45/621338245.db2.gz IEFUSJRPSRCQHH-QPKOPYBWSA-N 2 1 298.352 3.119 20 0 CGADMP CC1(C)C(C)(C)C1(C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000902722137 621410700 /nfs/dbraw/zinc/41/07/00/621410700.db2.gz GSWSHSNBHQTYML-STQMWFEESA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCOCC1 ZINC000902793302 621450179 /nfs/dbraw/zinc/45/01/79/621450179.db2.gz HAVIZYKZMFPKNP-SFHVURJKSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCOCC1 ZINC000902793302 621450185 /nfs/dbraw/zinc/45/01/85/621450185.db2.gz HAVIZYKZMFPKNP-SFHVURJKSA-N 2 1 296.499 3.292 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000902793600 621450227 /nfs/dbraw/zinc/45/02/27/621450227.db2.gz LCOUAQFJPRZEEL-YESZJQIVSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903059674 621547466 /nfs/dbraw/zinc/54/74/66/621547466.db2.gz OCTGXNSBTGZSHP-MAUKXSAKSA-N 2 1 287.451 3.387 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903059674 621547473 /nfs/dbraw/zinc/54/74/73/621547473.db2.gz OCTGXNSBTGZSHP-MAUKXSAKSA-N 2 1 287.451 3.387 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903076651 621558480 /nfs/dbraw/zinc/55/84/80/621558480.db2.gz TXRQEUZDWSNMKD-BBQCCYIRSA-N 2 1 250.430 3.168 20 0 CGADMP CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000903082646 621563104 /nfs/dbraw/zinc/56/31/04/621563104.db2.gz UQICCBBKJRFGFU-ZWKOTPCHSA-N 2 1 290.451 3.184 20 0 CGADMP CCO[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903182277 621616124 /nfs/dbraw/zinc/61/61/24/621616124.db2.gz BUEFTURWRPPMKG-MOUFXGFKSA-N 2 1 292.467 3.082 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000903185009 621617105 /nfs/dbraw/zinc/61/71/05/621617105.db2.gz BRZSSQJIUVFSMM-QEHSUNLYSA-N 2 1 264.457 3.272 20 0 CGADMP C(C[C@@H]1C[C@H]1C1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903220743 621633811 /nfs/dbraw/zinc/63/38/11/621633811.db2.gz NSGRYQKNUNUJND-LHCMDFTLSA-N 2 1 274.452 3.170 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)[C@H]2CCC[C@@H]21 ZINC000903247686 621650294 /nfs/dbraw/zinc/65/02/94/621650294.db2.gz XIVDFAKELRCMPP-YVSFHVDLSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)[C@H]2CCC[C@H]21 ZINC000903247685 621650459 /nfs/dbraw/zinc/65/04/59/621650459.db2.gz XIVDFAKELRCMPP-VVLHAWIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439335 621748327 /nfs/dbraw/zinc/74/83/27/621748327.db2.gz GHEWOZDLRKQYPN-LOUJCGABSA-N 2 1 276.399 3.336 20 0 CGADMP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438979 621748489 /nfs/dbraw/zinc/74/84/89/621748489.db2.gz AAVZPQWHKWPLEI-YXPYIKCWSA-N 2 1 276.399 3.064 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000903444055 621756370 /nfs/dbraw/zinc/75/63/70/621756370.db2.gz OKXDKNOKVRFPMR-UPJWGTAASA-N 2 1 281.469 3.134 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(C3CCCCC3)CC2)CC[N@@H+]1C ZINC000903447782 621759184 /nfs/dbraw/zinc/75/91/84/621759184.db2.gz CKNZOQWBLPRROM-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(C3CCCCC3)CC2)CC[N@H+]1C ZINC000903447782 621759189 /nfs/dbraw/zinc/75/91/89/621759189.db2.gz CKNZOQWBLPRROM-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903473986 621763959 /nfs/dbraw/zinc/76/39/59/621763959.db2.gz CYYRLXDOUNGTQY-CVEARBPZSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1CC[NH3+] ZINC000903499796 621767016 /nfs/dbraw/zinc/76/70/16/621767016.db2.gz OKUBDYLPLKNFQW-SUYBPPKGSA-N 2 1 276.399 3.120 20 0 CGADMP COCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000903722316 621795955 /nfs/dbraw/zinc/79/59/55/621795955.db2.gz KORCYNCOOZBYTE-IAGOWNOFSA-N 2 1 290.451 3.086 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903768219 621803704 /nfs/dbraw/zinc/80/37/04/621803704.db2.gz MCETUMBJIDOXFP-QGZVFWFLSA-N 2 1 290.426 3.368 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC=C(Cl)Cl)CCC1 ZINC000903813036 621814735 /nfs/dbraw/zinc/81/47/35/621814735.db2.gz XSODFVCHWWGUBJ-LLVKDONJSA-N 2 1 277.239 3.289 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CC=C(Cl)Cl)CCC1 ZINC000903813036 621814737 /nfs/dbraw/zinc/81/47/37/621814737.db2.gz XSODFVCHWWGUBJ-LLVKDONJSA-N 2 1 277.239 3.289 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)oc3ccccc31)C2 ZINC000903841250 621819384 /nfs/dbraw/zinc/81/93/84/621819384.db2.gz CMQFPIXBHCARQO-TUAOUCFPSA-N 2 1 290.794 3.398 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903892554 621827407 /nfs/dbraw/zinc/82/74/07/621827407.db2.gz JOOYOVYPHGYORV-HIFRSBDPSA-N 2 1 270.367 3.298 20 0 CGADMP C[N@H+](Cc1cc2ccccc2o1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903897712 621829011 /nfs/dbraw/zinc/82/90/11/621829011.db2.gz IUVFWRKBYWBLTD-VHRNVKJDSA-N 2 1 284.403 3.395 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903897898 621829207 /nfs/dbraw/zinc/82/92/07/621829207.db2.gz KIKPICHERWLGEF-AGUYFDCRSA-N 2 1 296.817 3.442 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000903897986 621829243 /nfs/dbraw/zinc/82/92/43/621829243.db2.gz KWQNCUVIAIFITF-HOTGVXAUSA-N 2 1 296.405 3.456 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000903897986 621829245 /nfs/dbraw/zinc/82/92/45/621829245.db2.gz KWQNCUVIAIFITF-HOTGVXAUSA-N 2 1 296.405 3.456 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc(Cl)c2Cl)C[C@H]1CC[NH3+] ZINC000903978161 621844770 /nfs/dbraw/zinc/84/47/70/621844770.db2.gz HRNHEDMGXWEBBK-RKDXNWHRSA-N 2 1 293.263 3.472 20 0 CGADMP C[C@]1(C[N@H+]2CCCCC[C@H]2c2ccncc2)CCC[NH2+]C1 ZINC000904301198 621901998 /nfs/dbraw/zinc/90/19/98/621901998.db2.gz AWAXKYLMWSEHRS-ROUUACIJSA-N 2 1 287.451 3.388 20 0 CGADMP C[C@@]1(C[N@@H+](CCC(F)(F)F)CC2CC2)CCC[NH2+]C1 ZINC000904329123 621907516 /nfs/dbraw/zinc/90/75/16/621907516.db2.gz WDAJBIJEXYDIDF-CYBMUJFWSA-N 2 1 278.362 3.041 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000904342221 621909298 /nfs/dbraw/zinc/90/92/98/621909298.db2.gz ZULRIRNOMKPEQQ-IAGOWNOFSA-N 2 1 289.467 3.100 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000904342221 621909302 /nfs/dbraw/zinc/90/93/02/621909302.db2.gz ZULRIRNOMKPEQQ-IAGOWNOFSA-N 2 1 289.467 3.100 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000904405890 621918044 /nfs/dbraw/zinc/91/80/44/621918044.db2.gz RMCDUZRLZOSYME-DOTOQJQBSA-N 2 1 260.425 3.097 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H](CC[NH3+])C3)ccc2c1 ZINC000904409692 621919157 /nfs/dbraw/zinc/91/91/57/621919157.db2.gz GHNWCVCRNVDYJL-AWEZNQCLSA-N 2 1 284.403 3.019 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC000904430573 621920966 /nfs/dbraw/zinc/92/09/66/621920966.db2.gz JSMPAEZPGNSXDB-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC000904430573 621920972 /nfs/dbraw/zinc/92/09/72/621920972.db2.gz JSMPAEZPGNSXDB-WBVHZDCISA-N 2 1 258.409 3.008 20 0 CGADMP COc1ccc(Oc2ccc(C[NH2+]CC3([NH3+])CC3)cc2)cc1 ZINC000904445729 621924211 /nfs/dbraw/zinc/92/42/11/621924211.db2.gz ZUIZFQZZDRILPI-UHFFFAOYSA-N 2 1 298.386 3.068 20 0 CGADMP c1ncc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)o1 ZINC000906519476 622242402 /nfs/dbraw/zinc/24/24/02/622242402.db2.gz AMKMBSRUXBOZHI-SJORKVTESA-N 2 1 297.402 3.058 20 0 CGADMP c1ncc(-c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)o1 ZINC000906519476 622242404 /nfs/dbraw/zinc/24/24/04/622242404.db2.gz AMKMBSRUXBOZHI-SJORKVTESA-N 2 1 297.402 3.058 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000059180971 622997103 /nfs/dbraw/zinc/99/71/03/622997103.db2.gz JHEVTXJURSWNOJ-GFCCVEGCSA-N 2 1 293.480 3.015 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000059180971 622997119 /nfs/dbraw/zinc/99/71/19/622997119.db2.gz JHEVTXJURSWNOJ-GFCCVEGCSA-N 2 1 293.480 3.015 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637825 623491348 /nfs/dbraw/zinc/49/13/48/623491348.db2.gz QBZCUZQXJHRVRU-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154689690 624343957 /nfs/dbraw/zinc/34/39/57/624343957.db2.gz CVKVHYGRSWUVKJ-CYBMUJFWSA-N 2 1 264.388 3.160 20 0 CGADMP CC1([NH+]2CCC2)CCC([NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000922847186 626057800 /nfs/dbraw/zinc/05/78/00/626057800.db2.gz LPIXRBDIMRICBA-UHFFFAOYSA-N 2 1 298.434 3.060 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCC=CCC2)s1 ZINC000922966521 626109098 /nfs/dbraw/zinc/10/90/98/626109098.db2.gz PRBIPVUXMXFTCB-UHFFFAOYSA-N 2 1 279.453 3.041 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1F ZINC000923300717 626143896 /nfs/dbraw/zinc/14/38/96/626143896.db2.gz KCMCEMFGGCSLNH-SFESLNEESA-N 2 1 294.389 3.317 20 0 CGADMP CCSCC[C@@H](C)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923314017 626145167 /nfs/dbraw/zinc/14/51/67/626145167.db2.gz ACUJOQUCMXBFJY-WZYMTQMTSA-N 2 1 284.513 3.371 20 0 CGADMP Cc1ccc(-c2cnc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)o2)cc1 ZINC000923496818 626158850 /nfs/dbraw/zinc/15/88/50/626158850.db2.gz BQCMANGAJNVKEZ-GOEBONIOSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@H]1C[NH3+] ZINC000923500740 626159558 /nfs/dbraw/zinc/15/95/58/626159558.db2.gz XXUYIRXKGLPBJO-OLZOCXBDSA-N 2 1 274.433 3.318 20 0 CGADMP Cc1cc(C)c(CN2C[C@H](CC[NH3+])c3ccccc32)c(C)[nH+]1 ZINC000923553225 626163679 /nfs/dbraw/zinc/16/36/79/626163679.db2.gz IRGPALPHDJFHFH-INIZCTEOSA-N 2 1 295.430 3.459 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000840808310 626179468 /nfs/dbraw/zinc/17/94/68/626179468.db2.gz BAHWHYHDDBUQLZ-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000839182000 626326209 /nfs/dbraw/zinc/32/62/09/626326209.db2.gz LAMWSNPNRRQNIO-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(C)ccc32)C1 ZINC000765293042 627245365 /nfs/dbraw/zinc/24/53/65/627245365.db2.gz YUUSHIXZPKGVNQ-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000765758418 627269121 /nfs/dbraw/zinc/26/91/21/627269121.db2.gz MBMHPVPEMIBLBD-ZIAGYGMSSA-N 2 1 289.398 3.188 20 0 CGADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000765805199 627272125 /nfs/dbraw/zinc/27/21/25/627272125.db2.gz UXCSCSPWOXLQHO-VEDBGLOESA-N 2 1 294.483 3.183 20 0 CGADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000765805199 627272128 /nfs/dbraw/zinc/27/21/28/627272128.db2.gz UXCSCSPWOXLQHO-VEDBGLOESA-N 2 1 294.483 3.183 20 0 CGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000765975895 627283176 /nfs/dbraw/zinc/28/31/76/627283176.db2.gz MJXMELIPBYZNJE-GOSISDBHSA-N 2 1 294.483 3.332 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)SC)[C@H](C)C1 ZINC000766276636 627312057 /nfs/dbraw/zinc/31/20/57/627312057.db2.gz IIWNWEBHYUQHNP-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP COc1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000768164212 627464905 /nfs/dbraw/zinc/46/49/05/627464905.db2.gz XZNDHHANHDJCDM-UHFFFAOYSA-N 2 1 298.430 3.389 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)o1 ZINC000769517162 627562244 /nfs/dbraw/zinc/56/22/44/627562244.db2.gz ZLYZHBMJDUFDPP-MRXNPFEDSA-N 2 1 276.424 3.060 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)o1 ZINC000769517162 627562245 /nfs/dbraw/zinc/56/22/45/627562245.db2.gz ZLYZHBMJDUFDPP-MRXNPFEDSA-N 2 1 276.424 3.060 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)o1 ZINC000769517162 627562247 /nfs/dbraw/zinc/56/22/47/627562247.db2.gz ZLYZHBMJDUFDPP-MRXNPFEDSA-N 2 1 276.424 3.060 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)o1 ZINC000769517162 627562248 /nfs/dbraw/zinc/56/22/48/627562248.db2.gz ZLYZHBMJDUFDPP-MRXNPFEDSA-N 2 1 276.424 3.060 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000769870229 627585323 /nfs/dbraw/zinc/58/53/23/627585323.db2.gz FNNUSGLSEZKWIM-RYUDHWBXSA-N 2 1 290.411 3.037 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774190105 627959276 /nfs/dbraw/zinc/95/92/76/627959276.db2.gz MNNYKXRKTKHQPV-DQIHPLBOSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CF)cc2)CCN1C ZINC000777596753 628287927 /nfs/dbraw/zinc/28/79/27/628287927.db2.gz YGXOAMNBYMAHAU-CZUORRHYSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC000777596753 628287930 /nfs/dbraw/zinc/28/79/30/628287930.db2.gz YGXOAMNBYMAHAU-CZUORRHYSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CF)cc2)CC[N@H+]1C ZINC000777596753 628287932 /nfs/dbraw/zinc/28/79/32/628287932.db2.gz YGXOAMNBYMAHAU-CZUORRHYSA-N 2 1 264.388 3.071 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2ccc(C[NH+](C)C)c(F)c2)[C@@H](C)C1 ZINC000777699262 628293379 /nfs/dbraw/zinc/29/33/79/628293379.db2.gz ARTOEBHQTNFQBO-GUYCJALGSA-N 2 1 293.430 3.030 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000780291872 628478541 /nfs/dbraw/zinc/47/85/41/628478541.db2.gz BVZNRCKXFPNDRS-OIISXLGYSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCc3ccccc32)CC[N@H+]1C ZINC000780291872 628478543 /nfs/dbraw/zinc/47/85/43/628478543.db2.gz BVZNRCKXFPNDRS-OIISXLGYSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCc3ccccc32)CC[NH+]1C ZINC000780291872 628478546 /nfs/dbraw/zinc/47/85/46/628478546.db2.gz BVZNRCKXFPNDRS-OIISXLGYSA-N 2 1 272.436 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCc3ccccc32)CC[NH+]1C ZINC000780291872 628478548 /nfs/dbraw/zinc/47/85/48/628478548.db2.gz BVZNRCKXFPNDRS-OIISXLGYSA-N 2 1 272.436 3.131 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCc3ccccc32)C1 ZINC000780292984 628479711 /nfs/dbraw/zinc/47/97/11/628479711.db2.gz OZIMITGKCBVTFE-IEBWSBKVSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292984 628479715 /nfs/dbraw/zinc/47/97/15/628479715.db2.gz OZIMITGKCBVTFE-IEBWSBKVSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292984 628479719 /nfs/dbraw/zinc/47/97/19/628479719.db2.gz OZIMITGKCBVTFE-IEBWSBKVSA-N 2 1 298.474 3.380 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(CC)CC ZINC000782182667 628621071 /nfs/dbraw/zinc/62/10/71/628621071.db2.gz DWCSFFUKIFAFSG-IAGOWNOFSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1F ZINC000783224424 628690385 /nfs/dbraw/zinc/69/03/85/628690385.db2.gz NVFDEIQVKOCVDB-IAQYHMDHSA-N 2 1 273.355 3.208 20 0 CGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000788480503 629058329 /nfs/dbraw/zinc/05/83/29/629058329.db2.gz KSZDEGOBZLILMI-YOEHRIQHSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCC1 ZINC000788549429 629064226 /nfs/dbraw/zinc/06/42/26/629064226.db2.gz WKDUSYWLBDPQPF-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000865412451 630109873 /nfs/dbraw/zinc/10/98/73/630109873.db2.gz OZWNMAMFRMMHRV-CYBMUJFWSA-N 2 1 278.827 3.222 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000798956653 630128104 /nfs/dbraw/zinc/12/81/04/630128104.db2.gz IMEXGVPHACRPJZ-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)C(C)C)CC1 ZINC000808710583 630296623 /nfs/dbraw/zinc/29/66/23/630296623.db2.gz LKXAZWGWVYSPHS-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC2(CCCC2)C1 ZINC000843389085 635656655 /nfs/dbraw/zinc/65/66/55/635656655.db2.gz PZBAILUDFNAMLF-UHFFFAOYSA-N 2 1 264.457 3.422 20 0 CGADMP [NH3+]CCC[N@@H+](CC[C@@H]1CC1(Cl)Cl)CC1CCCC1 ZINC000843384968 635657103 /nfs/dbraw/zinc/65/71/03/635657103.db2.gz MJPHTZOPILQSLH-CYBMUJFWSA-N 2 1 293.282 3.411 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000815556241 631794046 /nfs/dbraw/zinc/79/40/46/631794046.db2.gz QZZBWGDZHFDUAT-CYBMUJFWSA-N 2 1 276.399 3.412 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1Cl ZINC000817964392 632258757 /nfs/dbraw/zinc/25/87/57/632258757.db2.gz AYJLJVFDBJNOIW-NSHDSACASA-N 2 1 282.815 3.189 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[N@@H+](C2CC2)C1 ZINC000865839795 632911987 /nfs/dbraw/zinc/91/19/87/632911987.db2.gz SYTIKBCTUVGLLL-LLVKDONJSA-N 2 1 299.340 3.021 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[N@H+](C2CC2)C1 ZINC000865839795 632911997 /nfs/dbraw/zinc/91/19/97/632911997.db2.gz SYTIKBCTUVGLLL-LLVKDONJSA-N 2 1 299.340 3.021 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000866239228 633039830 /nfs/dbraw/zinc/03/98/30/633039830.db2.gz RVYWQRCINYPDLC-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000866239230 633040562 /nfs/dbraw/zinc/04/05/62/633040562.db2.gz RVYWQRCINYPDLC-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000866341902 633088931 /nfs/dbraw/zinc/08/89/31/633088931.db2.gz PZNQMGFKZNEKOP-SJCJKPOMSA-N 2 1 287.382 3.015 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000866396640 633122372 /nfs/dbraw/zinc/12/23/72/633122372.db2.gz AUPNJYJGOBGWQG-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@]1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1(Cl)Cl ZINC000824968167 633311963 /nfs/dbraw/zinc/31/19/63/633311963.db2.gz AYAHXBLFRFFKML-AVGNSLFASA-N 2 1 291.266 3.177 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000872020719 633941453 /nfs/dbraw/zinc/94/14/53/633941453.db2.gz JQZFJTXJXIKFRF-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](CC)CCC(F)(F)F ZINC000872031811 633950958 /nfs/dbraw/zinc/95/09/58/633950958.db2.gz MXMXWWKKLHISFU-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](CC)CCC(F)(F)F ZINC000872031811 633950965 /nfs/dbraw/zinc/95/09/65/633950965.db2.gz MXMXWWKKLHISFU-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872073715 633995164 /nfs/dbraw/zinc/99/51/64/633995164.db2.gz VEHCFXSNBKDBFW-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872073715 633995177 /nfs/dbraw/zinc/99/51/77/633995177.db2.gz VEHCFXSNBKDBFW-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872073589 633996019 /nfs/dbraw/zinc/99/60/19/633996019.db2.gz SFTVMHLTJKYCMY-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872073589 633996021 /nfs/dbraw/zinc/99/60/21/633996021.db2.gz SFTVMHLTJKYCMY-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000872092595 634017926 /nfs/dbraw/zinc/01/79/26/634017926.db2.gz QCBNFTPFRFUTLW-DOTOQJQBSA-N 2 1 294.483 3.331 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000872092595 634017928 /nfs/dbraw/zinc/01/79/28/634017928.db2.gz QCBNFTPFRFUTLW-DOTOQJQBSA-N 2 1 294.483 3.331 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000846218799 636161163 /nfs/dbraw/zinc/16/11/63/636161163.db2.gz WZYZKSFCPUVPQR-ZWKOTPCHSA-N 2 1 290.451 3.094 20 0 CGADMP [NH3+]CCCCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000846217757 636161199 /nfs/dbraw/zinc/16/11/99/636161199.db2.gz ORTLXVVZKCUCIM-UHFFFAOYSA-N 2 1 264.388 3.309 20 0 CGADMP Clc1ncsc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000872143566 634064764 /nfs/dbraw/zinc/06/47/64/634064764.db2.gz STZGUAXTKLLRMX-RYUDHWBXSA-N 2 1 299.871 3.008 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1)C1CCCC1 ZINC000872156139 634065566 /nfs/dbraw/zinc/06/55/66/634065566.db2.gz FGESRUQJWVHZEU-BPQIPLTHSA-N 2 1 294.483 3.175 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1C(F)(F)F ZINC000872149104 634065720 /nfs/dbraw/zinc/06/57/20/634065720.db2.gz KHQGJAJQTYJXPA-HIFRSBDPSA-N 2 1 298.352 3.133 20 0 CGADMP CC(C)OCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157628 634067978 /nfs/dbraw/zinc/06/79/78/634067978.db2.gz OGTATETUXWPJIX-WBVHZDCISA-N 2 1 282.472 3.031 20 0 CGADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)O1 ZINC000872158414 634069223 /nfs/dbraw/zinc/06/92/23/634069223.db2.gz UWYPIBIBGLOLQL-JOCBIADPSA-N 2 1 294.483 3.174 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2ccncc2)C1)C1CCCC1 ZINC000872158429 634069389 /nfs/dbraw/zinc/06/93/89/634069389.db2.gz VARSDCPEIWHBMR-SJLPKXTDSA-N 2 1 287.451 3.201 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123984782 634082977 /nfs/dbraw/zinc/08/29/77/634082977.db2.gz PRYTXUZAQYRCFS-CQSZACIVSA-N 2 1 258.409 3.097 20 0 CGADMP C[C@H](CC[NH2+][C@@]12CCC[C@H]1[NH2+]CC2)c1ccccc1 ZINC000873231011 634292571 /nfs/dbraw/zinc/29/25/71/634292571.db2.gz DKEKPGABEFAAKO-DJIMGWMZSA-N 2 1 258.409 3.054 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1)CCCCCC[NH3+] ZINC000873231451 634292982 /nfs/dbraw/zinc/29/29/82/634292982.db2.gz JQVPJBAIUPNKGY-SREVYHEPSA-N 2 1 264.388 3.290 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1)C1CCCC1 ZINC000873232673 634293777 /nfs/dbraw/zinc/29/37/77/634293777.db2.gz VPZFBRYKCAADMV-HLLBOEOZSA-N 2 1 296.524 3.359 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CC2(F)CC2)C1)C1CCCC1 ZINC000873232490 634294201 /nfs/dbraw/zinc/29/42/01/634294201.db2.gz ROXXJWFGQFADEM-ZFWWWQNUSA-N 2 1 268.420 3.108 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000873231808 634294242 /nfs/dbraw/zinc/29/42/42/634294242.db2.gz WEPWXZBEDFLDJS-IRXDYDNUSA-N 2 1 260.425 3.241 20 0 CGADMP COc1ccccc1/C=C\C[N@@H+](C)CCCCCC[NH3+] ZINC000873231472 634294713 /nfs/dbraw/zinc/29/47/13/634294713.db2.gz KILGGGAIJFOYKP-LUAWRHEFSA-N 2 1 276.424 3.159 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234148 634295362 /nfs/dbraw/zinc/29/53/62/634295362.db2.gz CCGMRIISORWRMS-NWDGAFQWSA-N 2 1 280.378 3.475 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)nc1 ZINC000873295918 634324235 /nfs/dbraw/zinc/32/42/35/634324235.db2.gz BECQYAWGWTZYEA-KYTZWMPUSA-N 2 1 299.340 3.034 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCC(C)(C)SC)CC1 ZINC000876623056 634869839 /nfs/dbraw/zinc/86/98/39/634869839.db2.gz BEUMPNJITIUBIX-UHFFFAOYSA-N 2 1 272.502 3.324 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000876943284 634933435 /nfs/dbraw/zinc/93/34/35/634933435.db2.gz OQARNPLYZGVAFV-SJLPKXTDSA-N 2 1 290.451 3.084 20 0 CGADMP CSC(C)(C)CC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000877020495 634952664 /nfs/dbraw/zinc/95/26/64/634952664.db2.gz VRZCQCGAVOLUFS-AWEZNQCLSA-N 2 1 272.502 3.228 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3ncccc23)C1 ZINC000877531749 635075460 /nfs/dbraw/zinc/07/54/60/635075460.db2.gz QYVLDYYFFRDFKR-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000877531749 635075463 /nfs/dbraw/zinc/07/54/63/635075463.db2.gz QYVLDYYFFRDFKR-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000877531749 635075464 /nfs/dbraw/zinc/07/54/64/635075464.db2.gz QYVLDYYFFRDFKR-APWZRJJASA-N 2 1 295.430 3.151 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000841010172 635106429 /nfs/dbraw/zinc/10/64/29/635106429.db2.gz BYCXTUSLRNWAEW-XNJGSVPQSA-N 2 1 294.389 3.490 20 0 CGADMP FC(F)(F)Sc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000841026479 635107595 /nfs/dbraw/zinc/10/75/95/635107595.db2.gz DKJHOMHNCUEVAX-UHFFFAOYSA-N 2 1 290.354 3.140 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744899 635179447 /nfs/dbraw/zinc/17/94/47/635179447.db2.gz YTYZUBYQFLIXDJ-AEFFLSMTSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744899 635179451 /nfs/dbraw/zinc/17/94/51/635179451.db2.gz YTYZUBYQFLIXDJ-AEFFLSMTSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744899 635179455 /nfs/dbraw/zinc/17/94/55/635179455.db2.gz YTYZUBYQFLIXDJ-AEFFLSMTSA-N 2 1 270.420 3.090 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743635 635180403 /nfs/dbraw/zinc/18/04/03/635180403.db2.gz LQBBGCXWKSKKKG-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743635 635180405 /nfs/dbraw/zinc/18/04/05/635180405.db2.gz LQBBGCXWKSKKKG-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877743635 635180409 /nfs/dbraw/zinc/18/04/09/635180409.db2.gz LQBBGCXWKSKKKG-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877743635 635180416 /nfs/dbraw/zinc/18/04/16/635180416.db2.gz LQBBGCXWKSKKKG-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000877743127 635180534 /nfs/dbraw/zinc/18/05/34/635180534.db2.gz ILDKLKJQPMTZBW-HIFRSBDPSA-N 2 1 298.352 3.231 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000877743127 635180545 /nfs/dbraw/zinc/18/05/45/635180545.db2.gz ILDKLKJQPMTZBW-HIFRSBDPSA-N 2 1 298.352 3.231 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000877743127 635180551 /nfs/dbraw/zinc/18/05/51/635180551.db2.gz ILDKLKJQPMTZBW-HIFRSBDPSA-N 2 1 298.352 3.231 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000877743127 635180557 /nfs/dbraw/zinc/18/05/57/635180557.db2.gz ILDKLKJQPMTZBW-HIFRSBDPSA-N 2 1 298.352 3.231 20 0 CGADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842476077 635377421 /nfs/dbraw/zinc/37/74/21/635377421.db2.gz GGPQGDXGOAKPQH-QAPCUYQASA-N 2 1 290.451 3.220 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])C1(C)C ZINC000842473507 635378136 /nfs/dbraw/zinc/37/81/36/635378136.db2.gz WREPZUCJINHLRH-HUUCEWRRSA-N 2 1 270.461 3.031 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H](c2ccsc2)O1 ZINC000842472769 635378520 /nfs/dbraw/zinc/37/85/20/635378520.db2.gz KGUQNDRMCSWHJR-GOEBONIOSA-N 2 1 296.480 3.419 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000878162734 635386926 /nfs/dbraw/zinc/38/69/26/635386926.db2.gz IWNRLPXZXWVDCX-XHSDSOJGSA-N 2 1 296.499 3.385 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000878162734 635386930 /nfs/dbraw/zinc/38/69/30/635386930.db2.gz IWNRLPXZXWVDCX-XHSDSOJGSA-N 2 1 296.499 3.385 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000878162734 635386934 /nfs/dbraw/zinc/38/69/34/635386934.db2.gz IWNRLPXZXWVDCX-XHSDSOJGSA-N 2 1 296.499 3.385 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC(C)(C)OC2(C)C)[C@@H](C)C1 ZINC000878258242 635436240 /nfs/dbraw/zinc/43/62/40/635436240.db2.gz MVWIMGYRNMHFMI-XHSDSOJGSA-N 2 1 296.499 3.242 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC(C)(C)OC2(C)C)[C@@H](C)C1 ZINC000878258242 635436248 /nfs/dbraw/zinc/43/62/48/635436248.db2.gz MVWIMGYRNMHFMI-XHSDSOJGSA-N 2 1 296.499 3.242 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC(C)(C)OC2(C)C)[C@@H](C)C1 ZINC000878258242 635436254 /nfs/dbraw/zinc/43/62/54/635436254.db2.gz MVWIMGYRNMHFMI-XHSDSOJGSA-N 2 1 296.499 3.242 20 0 CGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)oc21 ZINC000843051951 635549384 /nfs/dbraw/zinc/54/93/84/635549384.db2.gz NAWCXMALAWIAGZ-OCCSQVGLSA-N 2 1 288.391 3.001 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843053368 635550199 /nfs/dbraw/zinc/55/01/99/635550199.db2.gz YCBBRTKSXXPKPJ-LBPRGKRZSA-N 2 1 286.391 3.043 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843053368 635550207 /nfs/dbraw/zinc/55/02/07/635550207.db2.gz YCBBRTKSXXPKPJ-LBPRGKRZSA-N 2 1 286.391 3.043 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843054710 635551313 /nfs/dbraw/zinc/55/13/13/635551313.db2.gz CJLVPCZQZPODMJ-OOHWJJMZSA-N 2 1 260.425 3.067 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000843055978 635552997 /nfs/dbraw/zinc/55/29/97/635552997.db2.gz UKPYVQFNABIEGB-IHWYPQMZSA-N 2 1 262.372 3.041 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCSC3CCCCC3)CC[C@H]21 ZINC000879579870 635815983 /nfs/dbraw/zinc/81/59/83/635815983.db2.gz CKZCEXBGGJGENT-GOEBONIOSA-N 2 1 282.497 3.078 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCSC3CCCCC3)CC[C@H]21 ZINC000879579870 635815988 /nfs/dbraw/zinc/81/59/88/635815988.db2.gz CKZCEXBGGJGENT-GOEBONIOSA-N 2 1 282.497 3.078 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCSC3CCCCC3)CC[C@H]21 ZINC000879579870 635815992 /nfs/dbraw/zinc/81/59/92/635815992.db2.gz CKZCEXBGGJGENT-GOEBONIOSA-N 2 1 282.497 3.078 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCSC3CCCCC3)CC[C@H]21 ZINC000879579870 635815997 /nfs/dbraw/zinc/81/59/97/635815997.db2.gz CKZCEXBGGJGENT-GOEBONIOSA-N 2 1 282.497 3.078 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCSC3CCCCC3)CC[C@@H]21 ZINC000879579872 635816044 /nfs/dbraw/zinc/81/60/44/635816044.db2.gz CKZCEXBGGJGENT-ZBFHGGJFSA-N 2 1 282.497 3.078 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCSC3CCCCC3)CC[C@@H]21 ZINC000879579872 635816052 /nfs/dbraw/zinc/81/60/52/635816052.db2.gz CKZCEXBGGJGENT-ZBFHGGJFSA-N 2 1 282.497 3.078 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCSC3CCCCC3)CC[C@@H]21 ZINC000879579872 635816055 /nfs/dbraw/zinc/81/60/55/635816055.db2.gz CKZCEXBGGJGENT-ZBFHGGJFSA-N 2 1 282.497 3.078 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCSC3CCCCC3)CC[C@@H]21 ZINC000879579872 635816059 /nfs/dbraw/zinc/81/60/59/635816059.db2.gz CKZCEXBGGJGENT-ZBFHGGJFSA-N 2 1 282.497 3.078 20 0 CGADMP CC(C)C[N@@H+](CCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879701907 635838855 /nfs/dbraw/zinc/83/88/55/635838855.db2.gz DCRGDBPCHZUXCN-UHFFFAOYSA-N 2 1 280.378 3.239 20 0 CGADMP CC1(C)CO[C@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000879951375 635886328 /nfs/dbraw/zinc/88/63/28/635886328.db2.gz MFKRTYYQIWIOJL-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000990 635895131 /nfs/dbraw/zinc/89/51/31/635895131.db2.gz ORKRMNGRBDXGJR-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000990 635895134 /nfs/dbraw/zinc/89/51/34/635895134.db2.gz ORKRMNGRBDXGJR-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000990 635895143 /nfs/dbraw/zinc/89/51/43/635895143.db2.gz ORKRMNGRBDXGJR-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@]1(c2ccccc2)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219042 636162148 /nfs/dbraw/zinc/16/21/48/636162148.db2.gz DGSYRAVTIZRRFS-QGZVFWFLSA-N 2 1 260.425 3.169 20 0 CGADMP COc1cc(C[N@@H+](C)CCCCCC[NH3+])ccc1SC ZINC000846218792 636162247 /nfs/dbraw/zinc/16/22/47/636162247.db2.gz WIGLDYSEXKUOTC-UHFFFAOYSA-N 2 1 296.480 3.368 20 0 CGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC000846220642 636163356 /nfs/dbraw/zinc/16/33/56/636163356.db2.gz STFQPVOWKCRQRK-IRMRGROASA-N 2 1 292.854 3.411 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCC[NH3+])C1 ZINC000846222237 636163380 /nfs/dbraw/zinc/16/33/80/636163380.db2.gz VECICKLQFYVCPN-ROUUACIJSA-N 3 1 295.515 3.092 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846222237 636163384 /nfs/dbraw/zinc/16/33/84/636163384.db2.gz VECICKLQFYVCPN-ROUUACIJSA-N 3 1 295.515 3.092 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846222237 636163387 /nfs/dbraw/zinc/16/33/87/636163387.db2.gz VECICKLQFYVCPN-ROUUACIJSA-N 3 1 295.515 3.092 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883185620 636570551 /nfs/dbraw/zinc/57/05/51/636570551.db2.gz AVLLVEXJSPTVEO-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)[C@H](C)C1 ZINC000883194345 636577470 /nfs/dbraw/zinc/57/74/70/636577470.db2.gz UCDHQZFKMIAAMD-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1C(C)C ZINC000848530510 636591677 /nfs/dbraw/zinc/59/16/77/636591677.db2.gz IELCAEQFAANIBM-UHFFFAOYSA-N 2 1 271.408 3.495 20 0 CGADMP CC(C)c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000848536998 636594767 /nfs/dbraw/zinc/59/47/67/636594767.db2.gz ZFZPPVCQBCNDEM-OAHLLOKOSA-N 2 1 260.425 3.241 20 0 CGADMP CC(C)c1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000848546736 636599980 /nfs/dbraw/zinc/59/99/80/636599980.db2.gz CTKZALDXOPTNMS-UHFFFAOYSA-N 2 1 258.409 3.162 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000883273701 636645273 /nfs/dbraw/zinc/64/52/73/636645273.db2.gz QYFNBTYZGMKBHK-MJBXVCDLSA-N 2 1 274.399 3.132 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000131442988 636656224 /nfs/dbraw/zinc/65/62/24/636656224.db2.gz WUDHQZYUGDVZRY-GFCCVEGCSA-N 2 1 269.820 3.118 20 0 CGADMP CC1(CNc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883344847 636690240 /nfs/dbraw/zinc/69/02/40/636690240.db2.gz KJQPNDHFSRJYNE-QGZVFWFLSA-N 2 1 285.435 3.183 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000849073515 636738591 /nfs/dbraw/zinc/73/85/91/636738591.db2.gz ZGVJILKMXACQRB-CABCVRRESA-N 2 1 284.492 3.045 20 0 CGADMP C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1CCC([NH3+])CC1 ZINC000883417593 636748695 /nfs/dbraw/zinc/74/86/95/636748695.db2.gz GLRLMRXWKWLTLA-ZGUYJTEBSA-N 2 1 288.435 3.108 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000883423953 636751262 /nfs/dbraw/zinc/75/12/62/636751262.db2.gz ABCOHGCXMJGGSB-RBSFLKMASA-N 2 1 286.410 3.276 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1C[NH3+] ZINC000883433638 636753755 /nfs/dbraw/zinc/75/37/55/636753755.db2.gz VNYAAMNNIGRCGW-RFGFWPKPSA-N 2 1 274.399 3.117 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2ccccc2NC1(C)C ZINC000883464127 636762580 /nfs/dbraw/zinc/76/25/80/636762580.db2.gz GGQJGLPNPRAVKP-INIZCTEOSA-N 2 1 284.407 3.117 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(SC(F)F)cc2)CCCC1 ZINC000849349599 636817954 /nfs/dbraw/zinc/81/79/54/636817954.db2.gz BOXYTHBMCNHHQQ-UHFFFAOYSA-N 2 1 286.391 3.362 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000215984199 637106041 /nfs/dbraw/zinc/10/60/41/637106041.db2.gz VECVBUPHYOMNSF-RYUDHWBXSA-N 2 1 266.454 3.215 20 0 CGADMP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850539063 637113885 /nfs/dbraw/zinc/11/38/85/637113885.db2.gz QCQIFBICEPTXDY-XIRDDKMYSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850539063 637113889 /nfs/dbraw/zinc/11/38/89/637113889.db2.gz QCQIFBICEPTXDY-XIRDDKMYSA-N 2 1 262.441 3.172 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885938018 637320482 /nfs/dbraw/zinc/32/04/82/637320482.db2.gz PGIVWYUDSBXYDT-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000886142772 637433056 /nfs/dbraw/zinc/43/30/56/637433056.db2.gz KPRQJLDYSCMFFB-WUTVXBCWSA-N 2 1 276.399 3.160 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000886162397 637443036 /nfs/dbraw/zinc/44/30/36/637443036.db2.gz OMHIOKNENHPXQE-XYJFISCASA-N 2 1 294.483 3.331 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000886162397 637443040 /nfs/dbraw/zinc/44/30/40/637443040.db2.gz OMHIOKNENHPXQE-XYJFISCASA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCc1c[nH+]cn1C ZINC000886422380 637527709 /nfs/dbraw/zinc/52/77/09/637527709.db2.gz NABVTYVVGXWYSO-SFHVURJKSA-N 2 1 285.435 3.210 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCc2cccnc21 ZINC000886503764 637543788 /nfs/dbraw/zinc/54/37/88/637543788.db2.gz DHOCKTRDCPKIBL-RDJZCZTQSA-N 2 1 287.451 3.313 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886612200 637605644 /nfs/dbraw/zinc/60/56/44/637605644.db2.gz FTAVNSRFAYZLFP-AOCRQIFASA-N 3 1 295.515 3.102 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886612200 637605654 /nfs/dbraw/zinc/60/56/54/637605654.db2.gz FTAVNSRFAYZLFP-AOCRQIFASA-N 3 1 295.515 3.102 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCC3CCC3)CC2)[nH+]c1C ZINC000886659052 637637173 /nfs/dbraw/zinc/63/71/73/637637173.db2.gz BGZNQDGVQXWJAM-UHFFFAOYSA-N 2 1 261.413 3.396 20 0 CGADMP ClC(Cl)=CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000852749013 637706907 /nfs/dbraw/zinc/70/69/07/637706907.db2.gz GHZMNWIMCRTJBJ-NWDGAFQWSA-N 2 1 277.239 3.017 20 0 CGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000854224753 638027788 /nfs/dbraw/zinc/02/77/88/638027788.db2.gz QVVMEXMLWHFTTO-OWSLCNJRSA-N 2 1 288.410 3.049 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(C)c32)CC1 ZINC000924570075 638364463 /nfs/dbraw/zinc/36/44/63/638364463.db2.gz LTLMRHXTRITRIL-MRXNPFEDSA-N 2 1 258.409 3.056 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000924618411 638378329 /nfs/dbraw/zinc/37/83/29/638378329.db2.gz ZIRRZXAAYXCUNM-WMZOPIPTSA-N 2 1 289.467 3.113 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cncc(Cl)c3)C2)CC1 ZINC000856740748 638378908 /nfs/dbraw/zinc/37/89/08/638378908.db2.gz PTXIDWJIENQTGX-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)[NH+](C)C ZINC000924631783 638380714 /nfs/dbraw/zinc/38/07/14/638380714.db2.gz JASWWHWBVPUEIR-OKZBNKHCSA-N 2 1 296.499 3.148 20 0 CGADMP C([NH2+][C@@H](C1CCC1)C1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000924649538 638382896 /nfs/dbraw/zinc/38/28/96/638382896.db2.gz PGDWLBRTHLINSH-RDTXWAMCSA-N 2 1 276.468 3.419 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000924751453 638399185 /nfs/dbraw/zinc/39/91/85/638399185.db2.gz KRKQOCDSUGKPMK-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000924751453 638399186 /nfs/dbraw/zinc/39/91/86/638399186.db2.gz KRKQOCDSUGKPMK-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)c1 ZINC000924827172 638410092 /nfs/dbraw/zinc/41/00/92/638410092.db2.gz AJMRJUCUNVYPCL-RLFYNMQTSA-N 2 1 290.451 3.040 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924959906 638432531 /nfs/dbraw/zinc/43/25/31/638432531.db2.gz MRKMGGCOSRMSGB-NXOAAHMSSA-N 2 1 262.441 3.051 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H](C2CCC2)C2CCCC2)CCOCC1 ZINC000925061646 638444569 /nfs/dbraw/zinc/44/45/69/638444569.db2.gz LGKCRWROQGBSDS-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(O)cc(F)c1 ZINC000925222323 638478686 /nfs/dbraw/zinc/47/86/86/638478686.db2.gz RLALZCLPOAMRKX-TUKIKUTGSA-N 2 1 280.387 3.055 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccns2)C1 ZINC000925588664 638538260 /nfs/dbraw/zinc/53/82/60/638538260.db2.gz SCPDYMCMIIPPOO-UONOGXRCSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccns2)C1 ZINC000925588664 638538269 /nfs/dbraw/zinc/53/82/69/638538269.db2.gz SCPDYMCMIIPPOO-UONOGXRCSA-N 2 1 281.469 3.162 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925640569 638553932 /nfs/dbraw/zinc/55/39/32/638553932.db2.gz SKVUHSTZNJHOFB-QGZVFWFLSA-N 2 1 284.403 3.158 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccccc1 ZINC000925709891 638575569 /nfs/dbraw/zinc/57/55/69/638575569.db2.gz VINJXGHIUNPOOZ-BPUTZDHNSA-N 2 1 290.476 3.198 20 0 CGADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000857853332 638578215 /nfs/dbraw/zinc/57/82/15/638578215.db2.gz CDZLNZGFPBYNCG-INIZCTEOSA-N 2 1 290.455 3.033 20 0 CGADMP Fc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1F ZINC000925723115 638582231 /nfs/dbraw/zinc/58/22/31/638582231.db2.gz RYDGBKUCKWMUCY-HOCLYGCPSA-N 2 1 294.389 3.223 20 0 CGADMP Fc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1F ZINC000925723216 638582247 /nfs/dbraw/zinc/58/22/47/638582247.db2.gz RYDGBKUCKWMUCY-ZBFHGGJFSA-N 2 1 294.389 3.223 20 0 CGADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1sccc1Br ZINC000925739964 638591310 /nfs/dbraw/zinc/59/13/10/638591310.db2.gz CNIVIRORWFVUQS-MRVPVSSYSA-N 2 1 291.258 3.289 20 0 CGADMP CCC[C@@H](C)[C@@H](CC)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747379 638595224 /nfs/dbraw/zinc/59/52/24/638595224.db2.gz HLQXHJZSHDYUTD-DGCLKSJQSA-N 2 1 281.469 3.175 20 0 CGADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925821761 638620639 /nfs/dbraw/zinc/62/06/39/638620639.db2.gz IOBUTYWKAQQPBI-SGSCGOSXSA-N 2 1 270.420 3.114 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C12CCC2 ZINC000925825762 638622520 /nfs/dbraw/zinc/62/25/20/638622520.db2.gz JOMYCIPDFJMROF-OIISXLGYSA-N 2 1 298.430 3.292 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(F)c1 ZINC000925840549 638630206 /nfs/dbraw/zinc/63/02/06/638630206.db2.gz ITSDKXDOGQTVAQ-CSMYWGQOSA-N 2 1 292.398 3.017 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925872045 638637292 /nfs/dbraw/zinc/63/72/92/638637292.db2.gz NSPNLOJIWSZJMF-SQNIBIBYSA-N 2 1 299.462 3.217 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000858491583 638740527 /nfs/dbraw/zinc/74/05/27/638740527.db2.gz KWEKQXYQTUHDOR-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000858491583 638740531 /nfs/dbraw/zinc/74/05/31/638740531.db2.gz KWEKQXYQTUHDOR-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858490593 638740833 /nfs/dbraw/zinc/74/08/33/638740833.db2.gz KCKVANQBDWEMLT-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926645046 638794511 /nfs/dbraw/zinc/79/45/11/638794511.db2.gz NBRGTXPSHCXGLI-OAHLLOKOSA-N 2 1 292.471 3.237 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926645046 638794513 /nfs/dbraw/zinc/79/45/13/638794513.db2.gz NBRGTXPSHCXGLI-OAHLLOKOSA-N 2 1 292.471 3.237 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926755197 638807179 /nfs/dbraw/zinc/80/71/79/638807179.db2.gz VFBNKWVOXAUBNR-DZGCQCFKSA-N 2 1 252.446 3.133 20 0 CGADMP CC(F)(F)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929719007 638944730 /nfs/dbraw/zinc/94/47/30/638944730.db2.gz LLEAKCBQKQXYQB-CQSZACIVSA-N 2 1 274.399 3.230 20 0 CGADMP CC(F)(F)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930061985 638972073 /nfs/dbraw/zinc/97/20/73/638972073.db2.gz WPIAQVPHUWEOHG-HIFRSBDPSA-N 2 1 286.410 3.371 20 0 CGADMP CO[C@@H](CC(C)C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212435 639110864 /nfs/dbraw/zinc/11/08/64/639110864.db2.gz JUFYNVFSCLMKMD-SFHVURJKSA-N 2 1 292.467 3.241 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432671 639148367 /nfs/dbraw/zinc/14/83/67/639148367.db2.gz ZEMGVOCUYBTRAI-MELADBBJSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@@H](c1ccccc1Cl)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432671 639148373 /nfs/dbraw/zinc/14/83/73/639148373.db2.gz ZEMGVOCUYBTRAI-MELADBBJSA-N 2 1 278.827 3.285 20 0 CGADMP C[C@@H](c1ccccc1Cl)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432671 639148376 /nfs/dbraw/zinc/14/83/76/639148376.db2.gz ZEMGVOCUYBTRAI-MELADBBJSA-N 2 1 278.827 3.285 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CC[C@H](OC)C1 ZINC000859996355 639264668 /nfs/dbraw/zinc/26/46/68/639264668.db2.gz ATHKAEXNIKGMJW-ROUUACIJSA-N 2 1 290.451 3.138 20 0 CGADMP Fc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250081232 640809957 /nfs/dbraw/zinc/80/99/57/640809957.db2.gz KEDVSCUZRSIWCG-DJIMGWMZSA-N 2 1 276.399 3.226 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C(C)(C)c1ccnc(Cl)c1 ZINC001165044136 721939546 /nfs/dbraw/zinc/93/95/46/721939546.db2.gz JWGNMBKEXUZOMZ-UHFFFAOYSA-N 2 1 295.858 3.244 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2[nH]ccc21 ZINC001156927534 805755137 /nfs/dbraw/zinc/75/51/37/805755137.db2.gz BKVWLUZLVMWHNV-ZDUSSCGKSA-N 2 1 272.396 3.239 20 0 CGADMP Cc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c(C)c(C)[nH+]1 ZINC001158270415 805933859 /nfs/dbraw/zinc/93/38/59/805933859.db2.gz CYWYXUBBHAETIW-PBHICJAKSA-N 2 1 290.455 3.357 20 0 CGADMP Cc1cc[nH+]c(N(C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001158485727 805959342 /nfs/dbraw/zinc/95/93/42/805959342.db2.gz QXQRLABODXAQQF-UHFFFAOYSA-N 2 1 273.424 3.233 20 0 CGADMP c1cc([NH+]2CCCCCC2)ccc1NC1=CCC[NH2+]C1 ZINC001159542822 806119185 /nfs/dbraw/zinc/11/91/85/806119185.db2.gz YCYXNGJTHZNWEI-UHFFFAOYSA-N 2 1 271.408 3.356 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC001253096691 806166576 /nfs/dbraw/zinc/16/65/76/806166576.db2.gz VJJPJKHPGSKHMP-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP CCSc1ccnc(NCC[C@H]2CCC[N@H+]2C)c1 ZINC001160968106 806331356 /nfs/dbraw/zinc/33/13/56/806331356.db2.gz JTYPLQNPQJGEKH-GFCCVEGCSA-N 2 1 265.426 3.090 20 0 CGADMP Cc1cc2cc(C[NH3+])ccc2n1[C@H]1CCC[N@H+](C)CC1 ZINC001254497146 806418740 /nfs/dbraw/zinc/41/87/40/806418740.db2.gz GCUGGISGPPVVRB-INIZCTEOSA-N 2 1 271.408 3.065 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254503294 806423167 /nfs/dbraw/zinc/42/31/67/806423167.db2.gz LULWWLXXRAYFLH-DLBZAZTESA-N 2 1 290.451 3.145 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254499727 806421263 /nfs/dbraw/zinc/42/12/63/806421263.db2.gz OWZRNIBLKYTONX-INIZCTEOSA-N 2 1 276.424 3.048 20 0 CGADMP C[N@H+]1CCC[C@H](n2c3ccccc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001254508874 806427226 /nfs/dbraw/zinc/42/72/26/806427226.db2.gz TYCSONJDSNTSNT-CABCVRRESA-N 2 1 297.446 3.114 20 0 CGADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn([C@@H]3CCC[N@@H+](C)CC3)c2c1 ZINC001254506841 806427420 /nfs/dbraw/zinc/42/74/20/806427420.db2.gz BCUXZZGOBDNPPX-NVXWUHKLSA-N 2 1 299.462 3.496 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254509999 806429899 /nfs/dbraw/zinc/42/98/99/806429899.db2.gz LAPWZYKKMSRIGN-IRXDYDNUSA-N 2 1 276.399 3.351 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254509760 806430201 /nfs/dbraw/zinc/43/02/01/806430201.db2.gz PZFDRYAKFRWMHF-MRXNPFEDSA-N 2 1 298.430 3.422 20 0 CGADMP COc1ccc(C2([NH2+][C@H]3CCC[N@@H+](C)CC3)CCC2)cc1 ZINC001254510973 806430665 /nfs/dbraw/zinc/43/06/65/806430665.db2.gz SLNSYFRBJHMTND-INIZCTEOSA-N 2 1 288.435 3.148 20 0 CGADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2cccc3ccccc32)CC1 ZINC001254509442 806430696 /nfs/dbraw/zinc/43/06/96/806430696.db2.gz NOEBMLIISIWSRK-OAHLLOKOSA-N 2 1 281.403 3.239 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515578 806437001 /nfs/dbraw/zinc/43/70/01/806437001.db2.gz YRGPWCWCLRUICA-UKRRQHHQSA-N 2 1 294.826 3.238 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515578 806437004 /nfs/dbraw/zinc/43/70/04/806437004.db2.gz YRGPWCWCLRUICA-UKRRQHHQSA-N 2 1 294.826 3.238 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001254514370 806433999 /nfs/dbraw/zinc/43/39/99/806433999.db2.gz KUEQGKRXHXSCJN-XHSDSOJGSA-N 2 1 278.827 3.270 20 0 CGADMP Cc1cccc(Cl)c1C(=[NH2+])N[C@@H]1CCC[N@H+](C)CC1 ZINC001254513806 806434055 /nfs/dbraw/zinc/43/40/55/806434055.db2.gz GAMPSKKUEZMKJH-GFCCVEGCSA-N 2 1 279.815 3.048 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC001254515064 806434758 /nfs/dbraw/zinc/43/47/58/806434758.db2.gz RTVXZWBGYCCDKP-IAQYHMDHSA-N 2 1 280.362 3.026 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC001254515064 806434761 /nfs/dbraw/zinc/43/47/61/806434761.db2.gz RTVXZWBGYCCDKP-IAQYHMDHSA-N 2 1 280.362 3.026 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001254524587 806438842 /nfs/dbraw/zinc/43/88/42/806438842.db2.gz XHFYCZMVEQZSEP-SFHVURJKSA-N 2 1 290.426 3.489 20 0 CGADMP C[C@H]1CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135943 806552082 /nfs/dbraw/zinc/55/20/82/806552082.db2.gz GKGJOSUMMFZBKE-DZJNRPSUSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@H]1CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135943 806552086 /nfs/dbraw/zinc/55/20/86/806552086.db2.gz GKGJOSUMMFZBKE-DZJNRPSUSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@H]1CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135943 806552093 /nfs/dbraw/zinc/55/20/93/806552093.db2.gz GKGJOSUMMFZBKE-DZJNRPSUSA-N 2 1 270.420 3.276 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2CCSC2)C2CCCCC2)CC1 ZINC001255276571 806591372 /nfs/dbraw/zinc/59/13/72/806591372.db2.gz VIPVSEYTULEDAH-BPUTZDHNSA-N 2 1 282.497 3.397 20 0 CGADMP Cc1cc([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)ccc1N(C)C ZINC001162472415 806593697 /nfs/dbraw/zinc/59/36/97/806593697.db2.gz XKVUSZFEDYRLNB-HUUCEWRRSA-N 2 1 275.440 3.109 20 0 CGADMP CCCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001255330190 806616480 /nfs/dbraw/zinc/61/64/80/806616480.db2.gz RONQSAAVUKBZBR-NVXWUHKLSA-N 2 1 282.472 3.140 20 0 CGADMP C[N@@H+](CC1CC1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399268 806632867 /nfs/dbraw/zinc/63/28/67/806632867.db2.gz QAOHSMOVJHXLGC-SFHVURJKSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+](CC1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399268 806632871 /nfs/dbraw/zinc/63/28/71/806632871.db2.gz QAOHSMOVJHXLGC-SFHVURJKSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+](CC1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399268 806632876 /nfs/dbraw/zinc/63/28/76/806632876.db2.gz QAOHSMOVJHXLGC-SFHVURJKSA-N 2 1 272.436 3.383 20 0 CGADMP c1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)co1 ZINC001255385091 806630601 /nfs/dbraw/zinc/63/06/01/806630601.db2.gz DQJZGPDQILJJAG-SFHVURJKSA-N 2 1 284.403 3.424 20 0 CGADMP c1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)co1 ZINC001255385091 806630604 /nfs/dbraw/zinc/63/06/04/806630604.db2.gz DQJZGPDQILJJAG-SFHVURJKSA-N 2 1 284.403 3.424 20 0 CGADMP C[C@H]([NH3+])c1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382901 806631246 /nfs/dbraw/zinc/63/12/46/806631246.db2.gz YKSHLDYDMYKTCM-RDJZCZTQSA-N 2 1 298.434 3.130 20 0 CGADMP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001255638745 806687581 /nfs/dbraw/zinc/68/75/81/806687581.db2.gz OWVQAXNLNAELLB-SPWCGHHHSA-N 2 1 298.352 3.047 20 0 CGADMP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001255638745 806687584 /nfs/dbraw/zinc/68/75/84/806687584.db2.gz OWVQAXNLNAELLB-SPWCGHHHSA-N 2 1 298.352 3.047 20 0 CGADMP C[N@H+](CCC[NH2+]Cc1ccsc1)C1CCCCC1 ZINC000037860308 798877207 /nfs/dbraw/zinc/87/72/07/798877207.db2.gz ZWUQDLVKWWLTGM-UHFFFAOYSA-N 2 1 266.454 3.492 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1ccsc1)C1CCCCC1 ZINC000037860308 798877210 /nfs/dbraw/zinc/87/72/10/798877210.db2.gz ZWUQDLVKWWLTGM-UHFFFAOYSA-N 2 1 266.454 3.492 20 0 CGADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1F ZINC000037997650 798882755 /nfs/dbraw/zinc/88/27/55/798882755.db2.gz WQMQEULQIQTLHA-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083453920 798940120 /nfs/dbraw/zinc/94/01/20/798940120.db2.gz WNNUOAVQSVMWRN-NSHDSACASA-N 2 1 295.477 3.301 20 0 CGADMP C[N@H+](CCc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680616 806703972 /nfs/dbraw/zinc/70/39/72/806703972.db2.gz CGOOKXJJRJHGNG-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680616 806703977 /nfs/dbraw/zinc/70/39/77/806703977.db2.gz CGOOKXJJRJHGNG-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680616 806703982 /nfs/dbraw/zinc/70/39/82/806703982.db2.gz CGOOKXJJRJHGNG-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680616 806703985 /nfs/dbraw/zinc/70/39/85/806703985.db2.gz CGOOKXJJRJHGNG-JWTNVVGKSA-N 2 1 290.426 3.315 20 0 CGADMP COc1cccc(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001255680429 806704553 /nfs/dbraw/zinc/70/45/53/806704553.db2.gz TZHNECLXDBTIBE-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1cccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001255680429 806704557 /nfs/dbraw/zinc/70/45/57/806704557.db2.gz TZHNECLXDBTIBE-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1cccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255680429 806704561 /nfs/dbraw/zinc/70/45/61/806704561.db2.gz TZHNECLXDBTIBE-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000147038708 799049540 /nfs/dbraw/zinc/04/95/40/799049540.db2.gz KYOAPAJCTMPFHH-UHFFFAOYSA-N 2 1 285.435 3.158 20 0 CGADMP c1csc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157091833 799067604 /nfs/dbraw/zinc/06/76/04/799067604.db2.gz XBCPPAFCCYGMBP-HNNXBMFYSA-N 2 1 278.465 3.241 20 0 CGADMP Cc1cc[nH+]c(C)c1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163215740 806724340 /nfs/dbraw/zinc/72/43/40/806724340.db2.gz QPDQGFQMKDDOEQ-WBVHZDCISA-N 2 1 267.376 3.214 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339084285 799280285 /nfs/dbraw/zinc/28/02/85/799280285.db2.gz JRRCYUXQHMIRIM-WCVJEAGWSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+])cc1 ZINC001255755475 806738015 /nfs/dbraw/zinc/73/80/15/806738015.db2.gz LJDDZZHXIYHXES-UONOGXRCSA-N 2 1 266.454 3.002 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001255776079 806745822 /nfs/dbraw/zinc/74/58/22/806745822.db2.gz FEWAJBHUUCDJKR-SZMVWBNQSA-N 2 1 274.452 3.388 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000385303719 799425158 /nfs/dbraw/zinc/42/51/58/799425158.db2.gz LFMITIXDPOWPGZ-JYSRZZCRSA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H](C)C1 ZINC001163365654 806748714 /nfs/dbraw/zinc/74/87/14/806748714.db2.gz LSBZCQFJEACGBB-BBRMVZONSA-N 2 1 273.424 3.490 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H](C)C1 ZINC001163365654 806748718 /nfs/dbraw/zinc/74/87/18/806748718.db2.gz LSBZCQFJEACGBB-BBRMVZONSA-N 2 1 273.424 3.490 20 0 CGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)co1 ZINC000390733476 799474212 /nfs/dbraw/zinc/47/42/12/799474212.db2.gz ZNMIXJWBJKGCOM-KRWDZBQOSA-N 2 1 284.403 3.281 20 0 CGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000390733476 799474216 /nfs/dbraw/zinc/47/42/16/799474216.db2.gz ZNMIXJWBJKGCOM-KRWDZBQOSA-N 2 1 284.403 3.281 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1ccccc1F)C1CCN(C)CC1 ZINC001255851108 806767610 /nfs/dbraw/zinc/76/76/10/806767610.db2.gz LJKPBBQMBMIODT-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP CC(C)(C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000686664230 799735763 /nfs/dbraw/zinc/73/57/63/799735763.db2.gz QIBWSILFFIFHRQ-UHFFFAOYSA-N 2 1 272.436 3.040 20 0 CGADMP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687950645 799741174 /nfs/dbraw/zinc/74/11/74/799741174.db2.gz YWQASWCPPYKBCS-BXUZGUMPSA-N 2 1 264.438 3.014 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000687964930 799743830 /nfs/dbraw/zinc/74/38/30/799743830.db2.gz YQSWIJJXMDNHFZ-NEPJUHHUSA-N 2 1 264.438 3.014 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1C1CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000688268779 799745888 /nfs/dbraw/zinc/74/58/88/799745888.db2.gz HWDIIBREFXGCLE-CVGRLMLNSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001255862111 806773810 /nfs/dbraw/zinc/77/38/10/806773810.db2.gz CZRMQPSWGSIXLA-KSSFIOAISA-N 2 1 290.426 3.221 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001255862111 806773812 /nfs/dbraw/zinc/77/38/12/806773812.db2.gz CZRMQPSWGSIXLA-KSSFIOAISA-N 2 1 290.426 3.221 20 0 CGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc(Cl)s1)CC2 ZINC000691940126 799790014 /nfs/dbraw/zinc/79/00/14/799790014.db2.gz YAAJPHFZWXVLPF-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693559805 799811714 /nfs/dbraw/zinc/81/17/14/799811714.db2.gz QOOPJPJVTULVHT-SDDRHHMPSA-N 2 1 252.789 3.070 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255878462 806780990 /nfs/dbraw/zinc/78/09/90/806780990.db2.gz PHAWOAOCFZGEET-AWEZNQCLSA-N 2 1 266.404 3.030 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000699302177 799859489 /nfs/dbraw/zinc/85/94/89/799859489.db2.gz RVLMURJEMKYSBH-YQAQFAQXSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC001255886961 806783610 /nfs/dbraw/zinc/78/36/10/806783610.db2.gz JWDUAPAZHVYJLP-GOEBONIOSA-N 2 1 252.446 3.418 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC001255940393 806789586 /nfs/dbraw/zinc/78/95/86/806789586.db2.gz BIMDVDDECWJGFM-CABCVRRESA-N 2 1 278.440 3.466 20 0 CGADMP C([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708762658 799994047 /nfs/dbraw/zinc/99/40/47/799994047.db2.gz AOCMWXOQTCOLDI-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc2cccnc21 ZINC000710835991 800040485 /nfs/dbraw/zinc/04/04/85/800040485.db2.gz FLFQGAFEQCBYDK-UHFFFAOYSA-N 2 1 271.408 3.186 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710833816 800040600 /nfs/dbraw/zinc/04/06/00/800040600.db2.gz MPJJPRRWROGMLD-AWEZNQCLSA-N 2 1 264.413 3.207 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC001255955187 806798144 /nfs/dbraw/zinc/79/81/44/806798144.db2.gz PXPZBDCFLHPLQB-CQSZACIVSA-N 2 1 266.404 3.378 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC001255955187 806798149 /nfs/dbraw/zinc/79/81/49/806798149.db2.gz PXPZBDCFLHPLQB-CQSZACIVSA-N 2 1 266.404 3.378 20 0 CGADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000711815068 800074059 /nfs/dbraw/zinc/07/40/59/800074059.db2.gz HFCYZIVZTFIHPU-CHWSQXEVSA-N 2 1 264.438 3.057 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001255968729 806801508 /nfs/dbraw/zinc/80/15/08/806801508.db2.gz GLIVTXLBFXKMMB-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001255968729 806801515 /nfs/dbraw/zinc/80/15/15/806801515.db2.gz GLIVTXLBFXKMMB-RDJZCZTQSA-N 2 1 290.451 3.042 20 0 CGADMP C[C@H]1c2sccc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000712337861 800084386 /nfs/dbraw/zinc/08/43/86/800084386.db2.gz PDINSTLPBZRPNX-LBPRGKRZSA-N 2 1 264.438 3.057 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)C[NH2+]1 ZINC000714263987 800118294 /nfs/dbraw/zinc/11/82/94/800118294.db2.gz ZGHOLJVIQANDBL-LYYZXLFJSA-N 2 1 250.430 3.075 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000714302636 800119821 /nfs/dbraw/zinc/11/98/21/800119821.db2.gz GAQPEGXXKWGUSQ-VNQPRFMTSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000715493137 800136612 /nfs/dbraw/zinc/13/66/12/800136612.db2.gz WXXJAKVTAAAHCV-WDEREUQCSA-N 2 1 272.845 3.364 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000715511678 800137266 /nfs/dbraw/zinc/13/72/66/800137266.db2.gz XFUCBGVMXIEFAT-KBPBESRZSA-N 2 1 281.831 3.006 20 0 CGADMP C/C=C\C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716691634 800178283 /nfs/dbraw/zinc/17/82/83/800178283.db2.gz IRUTYWDVODMNPL-FHKGGZQNSA-N 2 1 270.420 3.205 20 0 CGADMP CC1([NH2+]C2CC[NH+](C3CC3)CC2)CCC(F)(F)CC1 ZINC001256071682 806811553 /nfs/dbraw/zinc/81/15/53/806811553.db2.gz KTOIPEVFZAPYEM-UHFFFAOYSA-N 2 1 272.383 3.171 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000723921046 800344265 /nfs/dbraw/zinc/34/42/65/800344265.db2.gz DAJRUCBWPMLWDI-ZMSDIMECSA-N 2 1 260.425 3.097 20 0 CGADMP C[n+]1cccc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001163847979 806836882 /nfs/dbraw/zinc/83/68/82/806836882.db2.gz HAFYUBRWNJZVCS-UHFFFAOYSA-N 2 1 270.400 3.117 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000891551202 800563413 /nfs/dbraw/zinc/56/34/13/800563413.db2.gz XCAUYUAVSVLROS-KRWDZBQOSA-N 2 1 276.399 3.304 20 0 CGADMP FC1(F)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903129984 800593743 /nfs/dbraw/zinc/59/37/43/800593743.db2.gz KXORLYCFZIJJJD-LQDVMPOASA-N 2 1 284.394 3.312 20 0 CGADMP Cc1ccc(CC2(C[NH2+]C3CC[NH+](C)CC3)CC2)cc1 ZINC001256199585 806847808 /nfs/dbraw/zinc/84/78/08/806847808.db2.gz RROFDAOXHZMKKZ-UHFFFAOYSA-N 2 1 272.436 3.002 20 0 CGADMP C[NH+]1CCC([NH+]2CCC3(CCc4ccccc43)CC2)CC1 ZINC001256202690 806848462 /nfs/dbraw/zinc/84/84/62/806848462.db2.gz KQKYDNGMVFTYLG-UHFFFAOYSA-N 2 1 284.447 3.061 20 0 CGADMP C[C@H]1C[N@H+](C2CCN(C)CC2)CCc2ccc(Cl)cc21 ZINC001256209892 806849374 /nfs/dbraw/zinc/84/93/74/806849374.db2.gz BYNQYRCBSHFWHM-ZDUSSCGKSA-N 2 1 292.854 3.396 20 0 CGADMP CN1CCC([N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001256207653 806849751 /nfs/dbraw/zinc/84/97/51/806849751.db2.gz RCBZJSCMEWWGGO-INIZCTEOSA-N 2 1 262.372 3.057 20 0 CGADMP C[NH+]1CCC(N2CCC[C@H]2c2ccccc2F)CC1 ZINC001256207653 806849756 /nfs/dbraw/zinc/84/97/56/806849756.db2.gz RCBZJSCMEWWGGO-INIZCTEOSA-N 2 1 262.372 3.057 20 0 CGADMP CN1CCC([N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC001256208345 806849843 /nfs/dbraw/zinc/84/98/43/806849843.db2.gz GGMIXLRKWVLXCJ-KRWDZBQOSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC([N@@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC001256208345 806849849 /nfs/dbraw/zinc/84/98/49/806849849.db2.gz GGMIXLRKWVLXCJ-KRWDZBQOSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC([N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC001256208345 806849858 /nfs/dbraw/zinc/84/98/58/806849858.db2.gz GGMIXLRKWVLXCJ-KRWDZBQOSA-N 2 1 272.436 3.350 20 0 CGADMP CN1CCC([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001256210341 806850321 /nfs/dbraw/zinc/85/03/21/806850321.db2.gz HDXJGPWNZLNQDR-INIZCTEOSA-N 2 1 294.439 3.086 20 0 CGADMP C[NH+]1CCC([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001256210341 806850328 /nfs/dbraw/zinc/85/03/28/806850328.db2.gz HDXJGPWNZLNQDR-INIZCTEOSA-N 2 1 294.439 3.086 20 0 CGADMP C[NH+]1CCC([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001256210341 806850335 /nfs/dbraw/zinc/85/03/35/806850335.db2.gz HDXJGPWNZLNQDR-INIZCTEOSA-N 2 1 294.439 3.086 20 0 CGADMP CC(C)CC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001256368243 806871056 /nfs/dbraw/zinc/87/10/56/806871056.db2.gz BNEDNNKECCDFCZ-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)c1ccccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164212182 806915986 /nfs/dbraw/zinc/91/59/86/806915986.db2.gz ZLRKLEQZCLLHER-UHFFFAOYSA-N 2 1 289.467 3.248 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH+]2CC3(C2)CCCC3)CC1 ZINC001256569377 806917835 /nfs/dbraw/zinc/91/78/35/806917835.db2.gz CIADUHUMQQTWCI-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)C[NH+](CC(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621670 806928449 /nfs/dbraw/zinc/92/84/49/806928449.db2.gz ZUDRCFFGPVTUGU-XYPWUTKMSA-N 2 1 252.446 3.226 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628580 806931746 /nfs/dbraw/zinc/93/17/46/806931746.db2.gz KVUGHSAIPHPPLE-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628580 806931750 /nfs/dbraw/zinc/93/17/50/806931750.db2.gz KVUGHSAIPHPPLE-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628580 806931755 /nfs/dbraw/zinc/93/17/55/806931755.db2.gz KVUGHSAIPHPPLE-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CC1(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC(F)(F)C1 ZINC001256901332 807003101 /nfs/dbraw/zinc/00/31/01/807003101.db2.gz VKEQUTOMQZCPLO-ZDUSSCGKSA-N 2 1 286.410 3.418 20 0 CGADMP CC1(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC(F)(F)C1 ZINC001256901332 807003104 /nfs/dbraw/zinc/00/31/04/807003104.db2.gz VKEQUTOMQZCPLO-ZDUSSCGKSA-N 2 1 286.410 3.418 20 0 CGADMP c1cc2cc[nH+]c(NCC3C[NH+](Cc4ccccc4)C3)c2[nH]1 ZINC001165468352 807004776 /nfs/dbraw/zinc/00/47/76/807004776.db2.gz FUFARWUNEODOBK-UHFFFAOYSA-N 2 1 292.386 3.107 20 0 CGADMP [NH3+]Cc1cccc2cnn([C@@H]3CCC[N@H+](C4CCCC4)C3)c21 ZINC001256903164 807005821 /nfs/dbraw/zinc/00/58/21/807005821.db2.gz YRAQRTZAXSBKPS-QGZVFWFLSA-N 2 1 298.434 3.075 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136270 812883287 /nfs/dbraw/zinc/88/32/87/812883287.db2.gz UADYJKOOTGPMSW-GOEBONIOSA-N 2 1 298.430 3.265 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206809392 813443048 /nfs/dbraw/zinc/44/30/48/813443048.db2.gz LOYKOFNFAYSEAS-LSDHHAIUSA-N 2 1 260.425 3.117 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CC[C@H]3CCC[C@H]3C2)CCCC1 ZINC001208183696 813735467 /nfs/dbraw/zinc/73/54/67/813735467.db2.gz FHSSJVNQNOKUAF-CVEARBPZSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)CC3CC[NH+](C)CC3)c[nH]c2c1 ZINC001136973298 803665359 /nfs/dbraw/zinc/66/53/59/803665359.db2.gz SMHMJOAWESEIIT-UHFFFAOYSA-N 2 1 285.435 3.250 20 0 CGADMP C[N@H+](Cc1c[nH]c2c1cccc2F)CC1CC[NH+](C)CC1 ZINC001137056237 803676814 /nfs/dbraw/zinc/67/68/14/803676814.db2.gz NKHGLEMGQIRIBA-UHFFFAOYSA-N 2 1 289.398 3.081 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001137264440 803704637 /nfs/dbraw/zinc/70/46/37/803704637.db2.gz QLOAYIPDGRWQHY-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP c1cn(-c2cc[nH+]c(-c3ccc([C@@H]4CCC[NH2+]4)cc3)c2)cn1 ZINC001245347932 803707254 /nfs/dbraw/zinc/70/72/54/803707254.db2.gz DLNLBCBDVGATAA-KRWDZBQOSA-N 2 1 290.370 3.359 20 0 CGADMP Cc1csc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1Cl ZINC001137288972 803709979 /nfs/dbraw/zinc/70/99/79/803709979.db2.gz KTCGNEFBYKGDKS-NEPJUHHUSA-N 2 1 284.856 3.093 20 0 CGADMP CC[N@@H+](Cc1c[nH]c2ccc(F)cc12)C1CCN(C)CC1 ZINC001137340179 803718626 /nfs/dbraw/zinc/71/86/26/803718626.db2.gz UIQQSJDJQFIVEC-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+](CC)Cc1ccccc1-n1c[nH+]c2cccc(N)c21 ZINC001211994329 814964301 /nfs/dbraw/zinc/96/43/01/814964301.db2.gz UBUUZFBLRGHHTG-UHFFFAOYSA-N 2 1 294.402 3.450 20 0 CGADMP CCc1cccc2c(C[N@H+](C)CCC[NH+](C)C)c[nH]c21 ZINC001138359860 803902875 /nfs/dbraw/zinc/90/28/75/803902875.db2.gz KJILHXZMUOKHJU-UHFFFAOYSA-N 2 1 273.424 3.114 20 0 CGADMP CCc1cccc2c(C[N@@H+](C)CCC[NH+](C)C)c[nH]c21 ZINC001138359860 803902884 /nfs/dbraw/zinc/90/28/84/803902884.db2.gz KJILHXZMUOKHJU-UHFFFAOYSA-N 2 1 273.424 3.114 20 0 CGADMP CCc1cccc2c(C[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001138359859 803902985 /nfs/dbraw/zinc/90/29/85/803902985.db2.gz KJFKPOCQMNNIQA-UHFFFAOYSA-N 2 1 285.435 3.256 20 0 CGADMP CCc1cccc2c(C[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001138359859 803902990 /nfs/dbraw/zinc/90/29/90/803902990.db2.gz KJFKPOCQMNNIQA-UHFFFAOYSA-N 2 1 285.435 3.256 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1ccccc1OC(F)F ZINC001138911576 804070578 /nfs/dbraw/zinc/07/05/78/804070578.db2.gz BDPITEYDCBBBIM-UHFFFAOYSA-N 2 1 295.333 3.007 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC001246070654 804108546 /nfs/dbraw/zinc/10/85/46/804108546.db2.gz DGDYPCLFCDJQHU-CABCVRRESA-N 2 1 264.388 3.226 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC001246070831 804108731 /nfs/dbraw/zinc/10/87/31/804108731.db2.gz GDLLZEBIVNKHQI-CVEARBPZSA-N 2 1 264.388 3.226 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cl)CC[NH2+]1 ZINC001246071697 804110941 /nfs/dbraw/zinc/11/09/41/804110941.db2.gz NFALPOQHLZWUFN-HIFRSBDPSA-N 2 1 266.816 3.206 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246103220 804136719 /nfs/dbraw/zinc/13/67/19/804136719.db2.gz GNVCPYNDMJDXMP-UPJWGTAASA-N 2 1 298.833 3.388 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246115305 804146811 /nfs/dbraw/zinc/14/68/11/804146811.db2.gz RIUKJGPMCOEARF-HUUCEWRRSA-N 2 1 256.409 3.193 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246118935 804151231 /nfs/dbraw/zinc/15/12/31/804151231.db2.gz SXTFGPPGDMSVTB-GOOMNMLDSA-N 2 1 298.474 3.401 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246132834 804157924 /nfs/dbraw/zinc/15/79/24/804157924.db2.gz IMSDMSYMUGQPAM-UHOFOFEASA-N 2 1 294.439 3.181 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246136268 804161057 /nfs/dbraw/zinc/16/10/57/804161057.db2.gz WCOSLZZGQSEJJW-IAGOWNOFSA-N 2 1 272.436 3.130 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246158659 804173825 /nfs/dbraw/zinc/17/38/25/804173825.db2.gz GKPWGYXIDLNDGF-YESZJQIVSA-N 2 1 280.456 3.012 20 0 CGADMP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246161162 804177717 /nfs/dbraw/zinc/17/77/17/804177717.db2.gz XNSHUIUWZNXYOU-LLVKDONJSA-N 2 1 287.234 3.268 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246174736 804188787 /nfs/dbraw/zinc/18/87/87/804188787.db2.gz DLCKMFSKYZICMP-FZMZJTMJSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246177279 804190826 /nfs/dbraw/zinc/19/08/26/804190826.db2.gz MNOSQJUFZRVDLL-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246186741 804198714 /nfs/dbraw/zinc/19/87/14/804198714.db2.gz GZZCVGNZJGOAMH-CHWSQXEVSA-N 2 1 299.245 3.192 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246215482 804211934 /nfs/dbraw/zinc/21/19/34/804211934.db2.gz YKRFBWHJPFSGJW-IRXDYDNUSA-N 3 1 283.504 3.009 20 0 CGADMP CC(C)=CCC/C(C)=C/C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246236849 804228642 /nfs/dbraw/zinc/22/86/42/804228642.db2.gz BEJCTVALCWQKIT-KMPOOHAWSA-N 2 1 250.430 3.411 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2Cl)CC[NH2+]1 ZINC001246262040 804243954 /nfs/dbraw/zinc/24/39/54/804243954.db2.gz HGGIEPHMAQMXRT-KGLIPLIRSA-N 2 1 266.816 3.269 20 0 CGADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246263264 804244848 /nfs/dbraw/zinc/24/48/48/804244848.db2.gz CRFKVRVZXSCQNA-VAMGGRTRSA-N 2 1 294.442 3.482 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246265057 804246163 /nfs/dbraw/zinc/24/61/63/804246163.db2.gz HOMBUGOQHJEBCW-RYUDHWBXSA-N 2 1 298.352 3.425 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246264168 804246891 /nfs/dbraw/zinc/24/68/91/804246891.db2.gz FJPKNVHWORSVBH-USXIJHARSA-N 2 1 262.441 3.361 20 0 CGADMP CCCCC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246272951 804249185 /nfs/dbraw/zinc/24/91/85/804249185.db2.gz MZYSRYNVZSYQHF-XQLPTFJDSA-N 2 1 268.445 3.033 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1F ZINC001246277939 804253147 /nfs/dbraw/zinc/25/31/47/804253147.db2.gz SNKIVQWMOKRCKM-HNNXBMFYSA-N 2 1 250.361 3.009 20 0 CGADMP CC(C)([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC001246314538 804275736 /nfs/dbraw/zinc/27/57/36/804275736.db2.gz XTJYEOJKGNPKOF-GFCCVEGCSA-N 2 1 266.816 3.307 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(OC)c2)CC[NH2+]1 ZINC001246316653 804277630 /nfs/dbraw/zinc/27/76/30/804277630.db2.gz IVGBKTNXSSPAQI-CABCVRRESA-N 2 1 294.414 3.235 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001246322972 804280327 /nfs/dbraw/zinc/28/03/27/804280327.db2.gz CIDXDGHWOQQQBE-VSVYTNTFSA-N 2 1 288.435 3.107 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC001246332206 804288565 /nfs/dbraw/zinc/28/85/65/804288565.db2.gz PTOWNUSSKUUTCJ-XSCHDIRWSA-N 2 1 252.446 3.321 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246346398 804297664 /nfs/dbraw/zinc/29/76/64/804297664.db2.gz ZTGROOPFCCHBRJ-QGZVFWFLSA-N 2 1 260.425 3.084 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2F)CC[NH2+]1 ZINC001246352442 804300442 /nfs/dbraw/zinc/30/04/42/804300442.db2.gz OPMPVWDIXMIFDK-HUUCEWRRSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246354566 804302382 /nfs/dbraw/zinc/30/23/82/804302382.db2.gz GSEBZCNMJFGKIU-NSHDSACASA-N 2 1 286.341 3.107 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C2(c3ccccc3F)CCC2)CC[NH2+]1 ZINC001246363941 804305782 /nfs/dbraw/zinc/30/57/82/804305782.db2.gz GMECKTMKLVGZDZ-ZIAGYGMSSA-N 2 1 276.399 3.325 20 0 CGADMP Cc1ccc(CC(C)(C)C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246382872 804313034 /nfs/dbraw/zinc/31/30/34/804313034.db2.gz FXDYRQUSCYEZIO-WBVHZDCISA-N 2 1 274.452 3.294 20 0 CGADMP CCCCCC1CCC([NH2+]C[C@H]2C[NH2+]CC(C)(C)O2)CC1 ZINC001246412700 804325175 /nfs/dbraw/zinc/32/51/75/804325175.db2.gz KVYBLZFFGYBMND-OFLPRAFFSA-N 2 1 296.499 3.482 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)Cc2ccccc2F)C[NH2+]1 ZINC001246429998 804329457 /nfs/dbraw/zinc/32/94/57/804329457.db2.gz CUWSECAIXRHFIS-UKRRQHHQSA-N 2 1 278.415 3.125 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)C[NH2+]1 ZINC001246430652 804330690 /nfs/dbraw/zinc/33/06/90/804330690.db2.gz GSWJFTGQAIBEJV-XJKSGUPXSA-N 2 1 278.415 3.125 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C[C@H]1CCCCO1 ZINC001140028574 804355024 /nfs/dbraw/zinc/35/50/24/804355024.db2.gz XMEBHAYZPOBPPQ-QGZVFWFLSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC001140028574 804355033 /nfs/dbraw/zinc/35/50/33/804355033.db2.gz XMEBHAYZPOBPPQ-QGZVFWFLSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001140026659 804356716 /nfs/dbraw/zinc/35/67/16/804356716.db2.gz PAFXAXUDRGYFGF-GOSISDBHSA-N 2 1 299.418 3.038 20 0 CGADMP Cc1nccn1-c1ccccc1CN1CCO[C@@H](C(C)C)C1 ZINC001140026659 804356722 /nfs/dbraw/zinc/35/67/22/804356722.db2.gz PAFXAXUDRGYFGF-GOSISDBHSA-N 2 1 299.418 3.038 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246487841 804357190 /nfs/dbraw/zinc/35/71/90/804357190.db2.gz MUTOQYDWIZIAOG-KGLIPLIRSA-N 2 1 276.415 3.426 20 0 CGADMP CC(C)C1CCC([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC001246493199 804359649 /nfs/dbraw/zinc/35/96/49/804359649.db2.gz XSZPANDQLPBJGN-SLTAFYQDSA-N 2 1 288.426 3.426 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)CCOCC(C)C ZINC001246500469 804362599 /nfs/dbraw/zinc/36/25/99/804362599.db2.gz IJKAOTJXXIOLOX-OAHLLOKOSA-N 2 1 272.477 3.325 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CSc1ccc(F)cc1 ZINC001246502804 804364096 /nfs/dbraw/zinc/36/40/96/804364096.db2.gz GCIIZVVPIJAUCK-OCCSQVGLSA-N 2 1 284.444 3.269 20 0 CGADMP CCC(C)(C)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]3C[C@H]32)CC1 ZINC001246506247 804365423 /nfs/dbraw/zinc/36/54/23/804365423.db2.gz YEVRAFOBMZUBQC-OPKDVZQQSA-N 2 1 264.457 3.179 20 0 CGADMP CC[N@@H+](Cc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246519934 804373748 /nfs/dbraw/zinc/37/37/48/804373748.db2.gz DZNWNPOHPGTXRY-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@H]1CCCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246520726 804374407 /nfs/dbraw/zinc/37/44/07/804374407.db2.gz VSNRQJRSTHYJRD-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246519532 804374765 /nfs/dbraw/zinc/37/47/65/804374765.db2.gz OAZBEVOHCHBVFY-ZNMIVQPWSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246534830 804382623 /nfs/dbraw/zinc/38/26/23/804382623.db2.gz ZLTXACNKZIPIGD-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531309 804382984 /nfs/dbraw/zinc/38/29/84/804382984.db2.gz DLAGXHHSEAILOA-DLBZAZTESA-N 2 1 272.436 3.211 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531309 804382993 /nfs/dbraw/zinc/38/29/93/804382993.db2.gz DLAGXHHSEAILOA-DLBZAZTESA-N 2 1 272.436 3.211 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246531717 804384457 /nfs/dbraw/zinc/38/44/57/804384457.db2.gz SMHABXIILQIKFY-HUUCEWRRSA-N 2 1 250.430 3.303 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544833 804392966 /nfs/dbraw/zinc/39/29/66/804392966.db2.gz ZQTPABDRBWZMDW-CGTJXYLNSA-N 2 1 274.452 3.315 20 0 CGADMP C[C@@H]1CC([N@H+]2CCc3ccccc3[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246546626 804395440 /nfs/dbraw/zinc/39/54/40/804395440.db2.gz LDQNZIMOALCSEC-MCIONIFRSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@@H]1CC([N@H+]2CCc3ccccc3[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246546627 804396962 /nfs/dbraw/zinc/39/69/62/804396962.db2.gz LDQNZIMOALCSEC-MGPQQGTHSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246550505 804400678 /nfs/dbraw/zinc/40/06/78/804400678.db2.gz PSGZUJJOVHYLJM-UMVBOHGHSA-N 2 1 296.480 3.492 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552139 804402675 /nfs/dbraw/zinc/40/26/75/804402675.db2.gz RUQVSBOURXQSKB-LSDHHAIUSA-N 2 1 258.425 3.354 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246557275 804406482 /nfs/dbraw/zinc/40/64/82/804406482.db2.gz HMZGDAWHRAGITB-HTWSVDAQSA-N 2 1 296.499 3.157 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246561089 804410467 /nfs/dbraw/zinc/41/04/67/804410467.db2.gz IFZYCSVTUFUICO-IAGOWNOFSA-N 2 1 276.399 3.180 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246564743 804413240 /nfs/dbraw/zinc/41/32/40/804413240.db2.gz ZUQWEOPSEXIHCN-OWCLPIDISA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246564953 804413773 /nfs/dbraw/zinc/41/37/73/804413773.db2.gz XUTLKZMDPBWBSW-FUHWJXTLSA-N 2 1 294.483 3.055 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246569124 804416930 /nfs/dbraw/zinc/41/69/30/804416930.db2.gz QGXKCIFKEBNHQJ-IIAWOOMASA-N 2 1 278.415 3.064 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCc3ccccc3CC2)CC1 ZINC001246577781 804423680 /nfs/dbraw/zinc/42/36/80/804423680.db2.gz PMOBHYYQZZVXNO-IBGZPJMESA-N 2 1 286.463 3.385 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246578952 804424641 /nfs/dbraw/zinc/42/46/41/804424641.db2.gz DDFUDKOQAAZBEF-MSOLQXFVSA-N 2 1 290.426 3.134 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246582165 804426174 /nfs/dbraw/zinc/42/61/74/804426174.db2.gz GAVIQLNETUSTBW-BHYGNILZSA-N 2 1 278.415 3.077 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001246582165 804426176 /nfs/dbraw/zinc/42/61/76/804426176.db2.gz GAVIQLNETUSTBW-BHYGNILZSA-N 2 1 278.415 3.077 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)CC2)C[C@H](CC)[NH2+]1 ZINC001246584425 804428401 /nfs/dbraw/zinc/42/84/01/804428401.db2.gz AMHHWUKPUXPYBD-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246591724 804433819 /nfs/dbraw/zinc/43/38/19/804433819.db2.gz NPAKAPNKTWYPLI-FRRDWIJNSA-N 2 1 298.833 3.469 20 0 CGADMP CC(C)[N@@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246593359 804434702 /nfs/dbraw/zinc/43/47/02/804434702.db2.gz MLIWREJFNAXJOE-YHUYYLMFSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246593864 804435292 /nfs/dbraw/zinc/43/52/92/804435292.db2.gz TWTVAPGPVAXFJJ-UMVBOHGHSA-N 2 1 292.854 3.257 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246605447 804441394 /nfs/dbraw/zinc/44/13/94/804441394.db2.gz JTRMTCIRAJVNNE-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CC2 ZINC001246604755 804442267 /nfs/dbraw/zinc/44/22/67/804442267.db2.gz IOJYZWRTXSJPAL-WOJBJXKFSA-N 2 1 298.474 3.460 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)C[C@@H]21 ZINC001246612141 804446237 /nfs/dbraw/zinc/44/62/37/804446237.db2.gz HNLXYMLYTPVHPF-PNBKFKSVSA-N 2 1 262.441 3.029 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246613516 804446559 /nfs/dbraw/zinc/44/65/59/804446559.db2.gz KZEOSAOQQDWGBW-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246615613 804449634 /nfs/dbraw/zinc/44/96/34/804449634.db2.gz CVWVRWLBOJCEEB-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246615613 804449637 /nfs/dbraw/zinc/44/96/37/804449637.db2.gz CVWVRWLBOJCEEB-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246615568 804449697 /nfs/dbraw/zinc/44/96/97/804449697.db2.gz XAYNJECFHXNHBR-AZUAARDMSA-N 2 1 298.474 3.318 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615835 804450028 /nfs/dbraw/zinc/45/00/28/804450028.db2.gz SVSOUWSDOQBTAT-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246622026 804455200 /nfs/dbraw/zinc/45/52/00/804455200.db2.gz MRUAVEJOIDYUOZ-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246622026 804455203 /nfs/dbraw/zinc/45/52/03/804455203.db2.gz MRUAVEJOIDYUOZ-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246624957 804456567 /nfs/dbraw/zinc/45/65/67/804456567.db2.gz QDBNUCYPHAVFQO-SLTXQBBLSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC(C)(C)C1 ZINC001246627958 804458982 /nfs/dbraw/zinc/45/89/82/804458982.db2.gz LGVMYMPWVIDDBV-CAOSSQGBSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@@]3(C1)CCCC[NH2+]3)C2 ZINC001246627018 804459040 /nfs/dbraw/zinc/45/90/40/804459040.db2.gz VYTJGAXZNWTBQT-IEBWSBKVSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@@]3(C1)CCCC[NH2+]3)C2 ZINC001246627018 804459043 /nfs/dbraw/zinc/45/90/43/804459043.db2.gz VYTJGAXZNWTBQT-IEBWSBKVSA-N 2 1 284.447 3.070 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC(C)(C)C1 ZINC001246628849 804460380 /nfs/dbraw/zinc/46/03/80/804460380.db2.gz YFNVEXQPUBOIQO-HLLBOEOZSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CC2 ZINC001246634463 804463971 /nfs/dbraw/zinc/46/39/71/804463971.db2.gz NTRHWQFOEPNZDV-WOJBJXKFSA-N 2 1 298.474 3.460 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246637269 804465750 /nfs/dbraw/zinc/46/57/50/804465750.db2.gz PSWPIYVGAVTWCH-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246637269 804465751 /nfs/dbraw/zinc/46/57/51/804465751.db2.gz PSWPIYVGAVTWCH-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246639519 804467443 /nfs/dbraw/zinc/46/74/43/804467443.db2.gz OYQADMNIFQLSCA-SFHVURJKSA-N 2 1 286.463 3.473 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246641424 804469210 /nfs/dbraw/zinc/46/92/10/804469210.db2.gz ZSUSHCZDPGDRKE-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCCC23CC[NH2+]CC3)CC(C)(C)C1 ZINC001246643915 804470341 /nfs/dbraw/zinc/47/03/41/804470341.db2.gz HXIAQFAIFJTRPQ-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)C[NH2+]1 ZINC001246642481 804470381 /nfs/dbraw/zinc/47/03/81/804470381.db2.gz BUCJADOHVHQNSI-WBVHZDCISA-N 2 1 284.447 3.107 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246644234 804472405 /nfs/dbraw/zinc/47/24/05/804472405.db2.gz XSQXSLLLHDLKGR-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246646752 804474288 /nfs/dbraw/zinc/47/42/88/804474288.db2.gz QCIYPAKLNNEGJL-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246647237 804475170 /nfs/dbraw/zinc/47/51/70/804475170.db2.gz JGKGJUGAFKWUHD-KSZLIROESA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246647237 804475177 /nfs/dbraw/zinc/47/51/77/804475177.db2.gz JGKGJUGAFKWUHD-KSZLIROESA-N 2 1 272.436 3.082 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2C1CCC2(CCc3ccccc32)CC1 ZINC001246647630 804475270 /nfs/dbraw/zinc/47/52/70/804475270.db2.gz UIZAMLHZPLSBSE-UHFFFAOYSA-N 2 1 296.458 3.236 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650496 804479113 /nfs/dbraw/zinc/47/91/13/804479113.db2.gz IWDKOTHSKORVBE-MSOLQXFVSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650496 804479115 /nfs/dbraw/zinc/47/91/15/804479115.db2.gz IWDKOTHSKORVBE-MSOLQXFVSA-N 2 1 295.515 3.105 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCC2(CCCCC2)C1 ZINC001246657174 804481970 /nfs/dbraw/zinc/48/19/70/804481970.db2.gz GJSSUYUQAUUNQM-VGWMRTNUSA-N 2 1 262.441 3.301 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246656640 804482148 /nfs/dbraw/zinc/48/21/48/804482148.db2.gz KOSLTCLIQVUQFZ-APAOZMKASA-N 2 1 299.245 3.203 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@H]3CC[NH2+]C[C@H]32)CC1 ZINC001246660933 804483319 /nfs/dbraw/zinc/48/33/19/804483319.db2.gz CNYAFGPFUHYQLK-PRLABOORSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)C1 ZINC001246673923 804489651 /nfs/dbraw/zinc/48/96/51/804489651.db2.gz QPCFUFCIZHITIB-GTAWCEEGSA-N 2 1 298.474 3.428 20 0 CGADMP C1[C@H]2C[NH2+]CC[C@@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246671732 804489778 /nfs/dbraw/zinc/48/97/78/804489778.db2.gz HLEWAEANERBAAY-ZBFHGGJFSA-N 2 1 262.441 3.173 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246675662 804490490 /nfs/dbraw/zinc/49/04/90/804490490.db2.gz QOWNTMSTFYYKJV-KURKYZTESA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H](CC)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246677339 804491441 /nfs/dbraw/zinc/49/14/41/804491441.db2.gz HVRQMYKYLHBVSF-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246678561 804492633 /nfs/dbraw/zinc/49/26/33/804492633.db2.gz XZXASVZVBMMQKF-MYBQVCMBSA-N 2 1 264.457 3.419 20 0 CGADMP C1CC12CCC([N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CC2 ZINC001246679459 804494079 /nfs/dbraw/zinc/49/40/79/804494079.db2.gz XSNOKRRXDGTZKY-JKSUJKDBSA-N 2 1 276.468 3.421 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246682970 804495347 /nfs/dbraw/zinc/49/53/47/804495347.db2.gz XRQLIVKBVJTNRT-IXEWLPCDSA-N 2 1 270.420 3.415 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246682270 804496307 /nfs/dbraw/zinc/49/63/07/804496307.db2.gz BIDYRABJOGMZDH-LZQZEXGQSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246685672 804496465 /nfs/dbraw/zinc/49/64/65/804496465.db2.gz ARVDUXZRRCEMLR-MWDXBVQZSA-N 2 1 284.463 3.471 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246696460 804498863 /nfs/dbraw/zinc/49/88/63/804498863.db2.gz QZUHTABZSIQSHV-SFHVURJKSA-N 2 1 274.452 3.472 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246779377 804505845 /nfs/dbraw/zinc/50/58/45/804505845.db2.gz ZWWNNUDYXVQUKQ-ROUUACIJSA-N 2 1 284.447 3.083 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC(CCc3ccccc3)CC2)C[NH2+]1 ZINC001246783008 804509491 /nfs/dbraw/zinc/50/94/91/804509491.db2.gz VGFLGIAPJIOOOR-VQIMIIECSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246787899 804511012 /nfs/dbraw/zinc/51/10/12/804511012.db2.gz FNIRZAKUCQBOEP-LSDHHAIUSA-N 2 1 252.446 3.274 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2CCOC)CC[NH2+]1 ZINC001246785594 804511995 /nfs/dbraw/zinc/51/19/95/804511995.db2.gz KRMPAVFJQAPHBZ-IKGGRYGDSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246795007 804517151 /nfs/dbraw/zinc/51/71/51/804517151.db2.gz HYJAQJDHYSHDKZ-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246796912 804519026 /nfs/dbraw/zinc/51/90/26/804519026.db2.gz NUNXTOXAJWILOZ-XJKCOSOUSA-N 2 1 262.372 3.103 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)C1CCc2ccccc2CC1 ZINC001246798431 804519451 /nfs/dbraw/zinc/51/94/51/804519451.db2.gz UATOOLJZFOJNFE-UHFFFAOYSA-N 2 1 272.436 3.008 20 0 CGADMP CC[NH2+]C1CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246800925 804521557 /nfs/dbraw/zinc/52/15/57/804521557.db2.gz GALVBMHKEUJWID-OAHLLOKOSA-N 2 1 292.854 3.271 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001246813327 804529914 /nfs/dbraw/zinc/52/99/14/804529914.db2.gz IECIPYHJLPVUMK-HUUCEWRRSA-N 2 1 278.465 3.017 20 0 CGADMP C1CC2(C[C@@H]1[N@@H+]1C[C@@H]3CCC[C@@H](C3)C1)CC[NH2+]CC2 ZINC001246830781 804540015 /nfs/dbraw/zinc/54/00/15/804540015.db2.gz IDZMLNWXXAVPHY-OWCLPIDISA-N 2 1 262.441 3.031 20 0 CGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@H](C)CC[NH2+]C ZINC001246840443 804547539 /nfs/dbraw/zinc/54/75/39/804547539.db2.gz ONLJNUWSOPDSAO-GFCCVEGCSA-N 2 1 299.256 3.269 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001246839627 804547562 /nfs/dbraw/zinc/54/75/62/804547562.db2.gz CZDNJKSGSPEPCK-NGRHZWBJSA-N 2 1 298.474 3.457 20 0 CGADMP CCCCC(CCCC)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840170 804547835 /nfs/dbraw/zinc/54/78/35/804547835.db2.gz FQHYXPYLPJBZLU-MIFYACCESA-N 2 1 252.446 3.405 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246840115 804548050 /nfs/dbraw/zinc/54/80/50/804548050.db2.gz FEWMIEGHEANRMB-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246842810 804551406 /nfs/dbraw/zinc/55/14/06/804551406.db2.gz VPAUVIFKBKEIOS-OWCLPIDISA-N 2 1 264.457 3.419 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843024 804551937 /nfs/dbraw/zinc/55/19/37/804551937.db2.gz SNJMNBOJAVTPSE-QKPAOTATSA-N 2 1 252.446 3.405 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246844825 804554299 /nfs/dbraw/zinc/55/42/99/804554299.db2.gz CXFDQMVHSXRVLU-GOEBONIOSA-N 2 1 276.399 3.146 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CC[C@@H](C3CCCCC3)C1)CC2 ZINC001246847093 804555701 /nfs/dbraw/zinc/55/57/01/804555701.db2.gz ISIJDOJBPXNVRY-MRXNPFEDSA-N 2 1 276.468 3.421 20 0 CGADMP C[N@@H+](C[C@H]1CC1(C)C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246847340 804556600 /nfs/dbraw/zinc/55/66/00/804556600.db2.gz TYJFXVDGRPGLSO-CQSZACIVSA-N 2 1 264.457 3.277 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246846856 804556616 /nfs/dbraw/zinc/55/66/16/804556616.db2.gz QSDMXNDLSCVHDV-WBVHZDCISA-N 2 1 278.415 3.424 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246846856 804556621 /nfs/dbraw/zinc/55/66/21/804556621.db2.gz QSDMXNDLSCVHDV-WBVHZDCISA-N 2 1 278.415 3.424 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC001246847708 804558937 /nfs/dbraw/zinc/55/89/37/804558937.db2.gz LUYXEEMPUDIGMW-CWRNSKLLSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001246852619 804561719 /nfs/dbraw/zinc/56/17/19/804561719.db2.gz RHYHKNZSZAZIFW-XJKSGUPXSA-N 2 1 296.842 3.181 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854277 804563758 /nfs/dbraw/zinc/56/37/58/804563758.db2.gz PWBJLTYIXFIDGO-RCCFBDPRSA-N 2 1 272.436 3.067 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246853569 804564392 /nfs/dbraw/zinc/56/43/92/804564392.db2.gz RIELHOFHVKYVGU-QILLFSRXSA-N 2 1 290.451 3.465 20 0 CGADMP C[C@H]1CC[C@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)C1 ZINC001246859268 804565838 /nfs/dbraw/zinc/56/58/38/804565838.db2.gz JCBCATXJCPGODS-RDJZCZTQSA-N 2 1 284.447 3.312 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246864100 804567820 /nfs/dbraw/zinc/56/78/20/804567820.db2.gz NBLCTNQZBOOTLD-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867331 804568906 /nfs/dbraw/zinc/56/89/06/804568906.db2.gz OAWLIKSLWPATPA-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867335 804570183 /nfs/dbraw/zinc/57/01/83/804570183.db2.gz OCWGFGQPBYROIS-FHWLQOOXSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867335 804570186 /nfs/dbraw/zinc/57/01/86/804570186.db2.gz OCWGFGQPBYROIS-FHWLQOOXSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246870055 804571447 /nfs/dbraw/zinc/57/14/47/804571447.db2.gz YHXQGALQECVKBT-NVXWUHKLSA-N 2 1 258.409 3.138 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246870055 804571449 /nfs/dbraw/zinc/57/14/49/804571449.db2.gz YHXQGALQECVKBT-NVXWUHKLSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246874001 804573626 /nfs/dbraw/zinc/57/36/26/804573626.db2.gz UUKMKQHCEGHBTC-MAUKXSAKSA-N 2 1 284.447 3.356 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246875300 804574913 /nfs/dbraw/zinc/57/49/13/804574913.db2.gz ZZMOZGIKHNQCBS-PBHICJAKSA-N 2 1 270.420 3.108 20 0 CGADMP C1C[C@@H]2CCC[C@H]1[N@H+]2C1CCC2(CC[NH2+]CC2)CC1 ZINC001246880652 804576153 /nfs/dbraw/zinc/57/61/53/804576153.db2.gz JVPSJNMMOWZHKS-GASCZTMLSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H]1CC([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC001246890970 804583462 /nfs/dbraw/zinc/58/34/62/804583462.db2.gz IGHNQBMCSZRZQL-GJZGRUSLSA-N 2 1 274.452 3.469 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CC[NH2+]1 ZINC001246895894 804585182 /nfs/dbraw/zinc/58/51/82/804585182.db2.gz YNXCIEGKZCWDFC-GDBMZVCRSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246893127 804585448 /nfs/dbraw/zinc/58/54/48/804585448.db2.gz HQWGNWZWUQLOLD-VBNZEHGJSA-N 2 1 262.372 3.103 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246911628 804595249 /nfs/dbraw/zinc/59/52/49/804595249.db2.gz VOARTCYROFILAB-BCDXTJNWSA-N 2 1 272.436 3.123 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001246914071 804596707 /nfs/dbraw/zinc/59/67/07/804596707.db2.gz YRSQLGDGZZGQTP-KBUPBQIOSA-N 2 1 252.446 3.403 20 0 CGADMP C1CC2(C[NH2+]1)CCC([N@H+]1CC[C@H]3CCCC[C@@H]3C1)CC2 ZINC001246918537 804600530 /nfs/dbraw/zinc/60/05/30/804600530.db2.gz GONUOUOOMQSKBL-MRLCAUJQSA-N 2 1 276.468 3.421 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246919528 804600982 /nfs/dbraw/zinc/60/09/82/804600982.db2.gz BGVWBSVDURZIQX-GJZGRUSLSA-N 2 1 290.451 3.089 20 0 CGADMP COCC[N@H+]([C@H](C)C[C@H](C)CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246929449 804605198 /nfs/dbraw/zinc/60/51/98/804605198.db2.gz OWGKCNPVEZYXHR-BRWVUGGUSA-N 2 1 284.488 3.148 20 0 CGADMP COCC[N@@H+]([C@H](C)C[C@H](C)CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246929449 804605202 /nfs/dbraw/zinc/60/52/02/804605202.db2.gz OWGKCNPVEZYXHR-BRWVUGGUSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@H](C(F)(F)F)C2)CC(C)(C)C1 ZINC001246933910 804607039 /nfs/dbraw/zinc/60/70/39/804607039.db2.gz JTVSRZJSJAWZDE-XQHKEYJVSA-N 2 1 292.389 3.413 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937883 804608401 /nfs/dbraw/zinc/60/84/01/804608401.db2.gz NIILJJDFPUMWQQ-HLLBOEOZSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc2c(c1)CC([N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)C2 ZINC001246936692 804609262 /nfs/dbraw/zinc/60/92/62/804609262.db2.gz XWRKDFXYWGZCGI-INIZCTEOSA-N 2 1 298.474 3.398 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001246944908 804612412 /nfs/dbraw/zinc/61/24/12/804612412.db2.gz YQEYXURHQOGINJ-LZQZEXGQSA-N 2 1 286.463 3.111 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001141231047 804617278 /nfs/dbraw/zinc/61/72/78/804617278.db2.gz VVROHTPEUNWPSL-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001141231047 804617281 /nfs/dbraw/zinc/61/72/81/804617281.db2.gz VVROHTPEUNWPSL-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001141231047 804617284 /nfs/dbraw/zinc/61/72/84/804617284.db2.gz VVROHTPEUNWPSL-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246973374 804623717 /nfs/dbraw/zinc/62/37/17/804623717.db2.gz GZQPKWFGUKDYEA-JONQDZQNSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@H]1CC([N@@H+](C2CCC2)C2CC[NH2+]CC2)C[C@H](C)C1 ZINC001246973598 804624359 /nfs/dbraw/zinc/62/43/59/804624359.db2.gz GTQUYBINWJJVNU-ZIAGYGMSSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)C[C@H]1C ZINC001246977955 804625837 /nfs/dbraw/zinc/62/58/37/804625837.db2.gz RVFYSBDTWNFKRU-CKEIUWERSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1ccc(F)cc1Cl ZINC001246981329 804626982 /nfs/dbraw/zinc/62/69/82/804626982.db2.gz QDDCNCLLLJPDNP-MFKMUULPSA-N 2 1 272.795 3.079 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1ccc(F)cc1Cl ZINC001246981329 804626984 /nfs/dbraw/zinc/62/69/84/804626984.db2.gz QDDCNCLLLJPDNP-MFKMUULPSA-N 2 1 272.795 3.079 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](N)C[C@H]1C ZINC001246999690 804634732 /nfs/dbraw/zinc/63/47/32/804634732.db2.gz SRWVDJUDALNWLL-MCIONIFRSA-N 2 1 296.480 3.492 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246999690 804634744 /nfs/dbraw/zinc/63/47/44/804634744.db2.gz SRWVDJUDALNWLL-MCIONIFRSA-N 2 1 296.480 3.492 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC[NH2+]1 ZINC001247002875 804635512 /nfs/dbraw/zinc/63/55/12/804635512.db2.gz LZAKHDNJKNIEOI-FPCVCCKLSA-N 2 1 252.446 3.274 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@@](C)(C[NH3+])C2)CC1 ZINC001247005070 804637865 /nfs/dbraw/zinc/63/78/65/804637865.db2.gz UTMBQOHVFYYTRY-GPANFISMSA-N 2 1 252.446 3.406 20 0 CGADMP CC1(C)CCC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012253 804640227 /nfs/dbraw/zinc/64/02/27/804640227.db2.gz DBMXFWXVVMODIP-KKUMJFAQSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012253 804640230 /nfs/dbraw/zinc/64/02/30/804640230.db2.gz DBMXFWXVVMODIP-KKUMJFAQSA-N 2 1 250.430 3.029 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012457 804640344 /nfs/dbraw/zinc/64/03/44/804640344.db2.gz DSTSVALJSBHNFQ-MQYQWHSLSA-N 2 1 290.373 3.181 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012457 804640351 /nfs/dbraw/zinc/64/03/51/804640351.db2.gz DSTSVALJSBHNFQ-MQYQWHSLSA-N 2 1 290.373 3.181 20 0 CGADMP CCCCCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012197 804640600 /nfs/dbraw/zinc/64/06/00/804640600.db2.gz CUONBFTXPLYHDU-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012197 804640603 /nfs/dbraw/zinc/64/06/03/804640603.db2.gz CUONBFTXPLYHDU-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247017094 804644662 /nfs/dbraw/zinc/64/46/62/804644662.db2.gz ZMHVCNKCSKATNR-UNEWFSDZSA-N 2 1 292.854 3.345 20 0 CGADMP Cc1ccc(NCC[C@H]2CCC[N@@H+](C)C2)c(C[NH+](C)C)c1 ZINC001165301281 806990188 /nfs/dbraw/zinc/99/01/88/806990188.db2.gz ZLGQJGNESYXTQZ-MRXNPFEDSA-N 2 1 289.467 3.200 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3n2CCC3)CC1 ZINC001248825721 805009130 /nfs/dbraw/zinc/00/91/30/805009130.db2.gz ONYPTMAWQNXUPI-UHFFFAOYSA-N 2 1 289.467 3.131 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3n2CCC3)CC1 ZINC001248825721 805009142 /nfs/dbraw/zinc/00/91/42/805009142.db2.gz ONYPTMAWQNXUPI-UHFFFAOYSA-N 2 1 289.467 3.131 20 0 CGADMP c1cc2c(c(CN3CC4(C3)CC[N@H+](CC3CC3)C4)c1)CCC2 ZINC001249457637 805154651 /nfs/dbraw/zinc/15/46/51/805154651.db2.gz NMVVZLSRCMDWIQ-UHFFFAOYSA-N 2 1 296.458 3.093 20 0 CGADMP COc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]c2ccccc21 ZINC001155028931 805526162 /nfs/dbraw/zinc/52/61/62/805526162.db2.gz DVRKBQHXRFOKDX-KBPBESRZSA-N 2 1 299.418 3.291 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001257213672 807063218 /nfs/dbraw/zinc/06/32/18/807063218.db2.gz SAQMPRGRDGGBHW-QGZVFWFLSA-N 2 1 273.424 3.091 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001257213672 807063226 /nfs/dbraw/zinc/06/32/26/807063226.db2.gz SAQMPRGRDGGBHW-QGZVFWFLSA-N 2 1 273.424 3.091 20 0 CGADMP CCC[C@H](CC)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257252149 807070628 /nfs/dbraw/zinc/07/06/28/807070628.db2.gz ACJNGJHVZQIIGG-JYJNAYRXSA-N 2 1 282.472 3.316 20 0 CGADMP CCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001257318059 807104738 /nfs/dbraw/zinc/10/47/38/807104738.db2.gz ZXKPAPPWBJJHOI-RRFJBIMHSA-N 2 1 278.465 3.300 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001257356163 807120979 /nfs/dbraw/zinc/12/09/79/807120979.db2.gz RKSSRVNENHEHCD-HOTGVXAUSA-N 2 1 250.430 3.268 20 0 CGADMP CCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001257427282 807151352 /nfs/dbraw/zinc/15/13/52/807151352.db2.gz ZHAXJMHEWBOBKM-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001257427282 807151357 /nfs/dbraw/zinc/15/13/57/807151357.db2.gz ZHAXJMHEWBOBKM-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001257427282 807151360 /nfs/dbraw/zinc/15/13/60/807151360.db2.gz ZHAXJMHEWBOBKM-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C2CCCCC2)CC1 ZINC001257453066 807164677 /nfs/dbraw/zinc/16/46/77/807164677.db2.gz ACPKNKJBSCLEGF-KOMQPUFPSA-N 2 1 250.430 3.301 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCCCC2)CC1 ZINC001257459196 807167014 /nfs/dbraw/zinc/16/70/14/807167014.db2.gz BNAPVPIYIIZKOQ-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CCCSC1 ZINC001257679997 807213975 /nfs/dbraw/zinc/21/39/75/807213975.db2.gz GFKPVKBFCOXWEE-HRCADAONSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCSC1 ZINC001257679997 807213979 /nfs/dbraw/zinc/21/39/79/807213979.db2.gz GFKPVKBFCOXWEE-HRCADAONSA-N 2 1 282.497 3.221 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCCSC1 ZINC001257679997 807213987 /nfs/dbraw/zinc/21/39/87/807213987.db2.gz GFKPVKBFCOXWEE-HRCADAONSA-N 2 1 282.497 3.221 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001167834919 807258564 /nfs/dbraw/zinc/25/85/64/807258564.db2.gz NUSBFFUXXPDFIV-QGZVFWFLSA-N 2 1 297.531 3.302 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2occc2C1 ZINC001167839502 807260420 /nfs/dbraw/zinc/26/04/20/807260420.db2.gz YLXKXIQAGGOYQW-CQSZACIVSA-N 2 1 264.413 3.148 20 0 CGADMP Cc1cccc2c1C[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258012507 807267698 /nfs/dbraw/zinc/26/76/98/807267698.db2.gz XXPRRAPPRLNUPA-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167940993 807278876 /nfs/dbraw/zinc/27/88/76/807278876.db2.gz TYFHCYOQONCYEU-TWMKSMIVSA-N 2 1 262.441 3.125 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258059730 807281785 /nfs/dbraw/zinc/28/17/85/807281785.db2.gz HYSOWSYMEFRNFL-QBPKDAKJSA-N 2 1 296.499 3.418 20 0 CGADMP c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167959530 807285866 /nfs/dbraw/zinc/28/58/66/807285866.db2.gz QRGUZNYOBYVEBI-AYHJJNSGSA-N 2 1 270.420 3.182 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167967909 807287797 /nfs/dbraw/zinc/28/77/97/807287797.db2.gz KXRKXTOXTKKYHH-MIGBEJBISA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167967909 807287803 /nfs/dbraw/zinc/28/78/03/807287803.db2.gz KXRKXTOXTKKYHH-MIGBEJBISA-N 2 1 299.462 3.446 20 0 CGADMP CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969084 807288995 /nfs/dbraw/zinc/28/89/95/807288995.db2.gz ZWOCUWMYOYYBTB-OHRKKDJYSA-N 2 1 250.430 3.170 20 0 CGADMP CCN(Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982045 807290343 /nfs/dbraw/zinc/29/03/43/807290343.db2.gz UNDNLSWNEHABKJ-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[N@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982045 807290348 /nfs/dbraw/zinc/29/03/48/807290348.db2.gz UNDNLSWNEHABKJ-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[N@@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982045 807290355 /nfs/dbraw/zinc/29/03/55/807290355.db2.gz UNDNLSWNEHABKJ-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[NH+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982045 807290359 /nfs/dbraw/zinc/29/03/59/807290359.db2.gz UNDNLSWNEHABKJ-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[NH+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982045 807290364 /nfs/dbraw/zinc/29/03/64/807290364.db2.gz UNDNLSWNEHABKJ-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258073769 807291480 /nfs/dbraw/zinc/29/14/80/807291480.db2.gz GBNVZJZTMNYGME-BBWFWOEESA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258073769 807291485 /nfs/dbraw/zinc/29/14/85/807291485.db2.gz GBNVZJZTMNYGME-BBWFWOEESA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258073769 807291491 /nfs/dbraw/zinc/29/14/91/807291491.db2.gz GBNVZJZTMNYGME-BBWFWOEESA-N 2 1 266.473 3.475 20 0 CGADMP CCN(Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995490 807295411 /nfs/dbraw/zinc/29/54/11/807295411.db2.gz HJCMJIITOQNALM-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[N@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995490 807295414 /nfs/dbraw/zinc/29/54/14/807295414.db2.gz HJCMJIITOQNALM-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[N@@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995490 807295418 /nfs/dbraw/zinc/29/54/18/807295418.db2.gz HJCMJIITOQNALM-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[NH+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995490 807295423 /nfs/dbraw/zinc/29/54/23/807295423.db2.gz HJCMJIITOQNALM-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP CC[NH+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995490 807295426 /nfs/dbraw/zinc/29/54/26/807295426.db2.gz HJCMJIITOQNALM-DFNIBXOVSA-N 2 1 299.462 3.309 20 0 CGADMP COCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006166 807298911 /nfs/dbraw/zinc/29/89/11/807298911.db2.gz MGQJMCSBGWJFAB-ALXJQNPVSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258094966 807302342 /nfs/dbraw/zinc/30/23/42/807302342.db2.gz BQGKORGTRXQGMA-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258094966 807302350 /nfs/dbraw/zinc/30/23/50/807302350.db2.gz BQGKORGTRXQGMA-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258094966 807302358 /nfs/dbraw/zinc/30/23/58/807302358.db2.gz BQGKORGTRXQGMA-CVEARBPZSA-N 2 1 250.430 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168092167 807308842 /nfs/dbraw/zinc/30/88/42/807308842.db2.gz FKWBOLKMLFZKMS-KLHDSHLOSA-N 2 1 282.472 3.172 20 0 CGADMP C[C@@H]1CC([N@@H+](C)CCC[NH+]2CCCC2)C[C@@H](C)C1 ZINC001258169631 807337073 /nfs/dbraw/zinc/33/70/73/807337073.db2.gz BKJYPXJTDDBHBZ-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001168188716 807340644 /nfs/dbraw/zinc/34/06/44/807340644.db2.gz MXIMLUWQZFKVRD-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001168188716 807340652 /nfs/dbraw/zinc/34/06/52/807340652.db2.gz MXIMLUWQZFKVRD-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001168188716 807340660 /nfs/dbraw/zinc/34/06/60/807340660.db2.gz MXIMLUWQZFKVRD-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H](Cc1ccco1)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001258192885 807352429 /nfs/dbraw/zinc/35/24/29/807352429.db2.gz RCXNZSFLAPOJBC-CQSZACIVSA-N 2 1 294.414 3.109 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001168323775 807383508 /nfs/dbraw/zinc/38/35/08/807383508.db2.gz CHNFTXJLLQLYIT-VIQWUECVSA-N 2 1 286.463 3.424 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001168327368 807384487 /nfs/dbraw/zinc/38/44/87/807384487.db2.gz KWQRMMNAUQIRPR-RUXDESIVSA-N 2 1 279.453 3.153 20 0 CGADMP C(C1CC1)[NH+]1CCC([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001168391688 807401177 /nfs/dbraw/zinc/40/11/77/807401177.db2.gz NAPTYADIUPWNDV-SJORKVTESA-N 2 1 276.468 3.373 20 0 CGADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001168391688 807401182 /nfs/dbraw/zinc/40/11/82/807401182.db2.gz NAPTYADIUPWNDV-SJORKVTESA-N 2 1 276.468 3.373 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001258324068 807411015 /nfs/dbraw/zinc/41/10/15/807411015.db2.gz MCXPAAKVNWZVHW-PNESKVBLSA-N 2 1 258.475 3.108 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CCc1ccc(OC)cc1 ZINC001258389690 807436836 /nfs/dbraw/zinc/43/68/36/807436836.db2.gz VHHOSEBILAMYCE-HNNXBMFYSA-N 2 1 278.440 3.077 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)CC2CC2)CC1 ZINC001258460929 807464100 /nfs/dbraw/zinc/46/41/00/807464100.db2.gz MBBUYXUXKSGZLG-ZDUSSCGKSA-N 2 1 273.424 3.117 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC001258599067 807498052 /nfs/dbraw/zinc/49/80/52/807498052.db2.gz RGLRGJCQOPDCPC-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC001258599067 807498054 /nfs/dbraw/zinc/49/80/54/807498054.db2.gz RGLRGJCQOPDCPC-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258694049 807549436 /nfs/dbraw/zinc/54/94/36/807549436.db2.gz LFENXKIDYPMABJ-HIFRSBDPSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258694049 807549441 /nfs/dbraw/zinc/54/94/41/807549441.db2.gz LFENXKIDYPMABJ-HIFRSBDPSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC001169081288 807570100 /nfs/dbraw/zinc/57/01/00/807570100.db2.gz PUSWMLUQFRNZNW-LVQVYYBASA-N 2 1 286.419 3.033 20 0 CGADMP Cc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001169081288 807570103 /nfs/dbraw/zinc/57/01/03/807570103.db2.gz PUSWMLUQFRNZNW-LVQVYYBASA-N 2 1 286.419 3.033 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C2 ZINC001169090724 807571585 /nfs/dbraw/zinc/57/15/85/807571585.db2.gz LVUKFVADHSVFIY-BTTYYORXSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001169095340 807574395 /nfs/dbraw/zinc/57/43/95/807574395.db2.gz PTSZIVGZDVYCTM-OSYLJGHBSA-N 2 1 258.409 3.018 20 0 CGADMP C[C@H]([NH3+])c1ccc2c(ccn2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095702 807574443 /nfs/dbraw/zinc/57/44/43/807574443.db2.gz RRAXARVGPUEFGL-SJWGOKEGSA-N 2 1 283.419 3.459 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)C2 ZINC001169110505 807580089 /nfs/dbraw/zinc/58/00/89/807580089.db2.gz LVTDUUFGOQQYKP-QDMKHBRRSA-N 2 1 296.817 3.236 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cccc(F)c1)C1CC1)C2 ZINC001169115703 807581116 /nfs/dbraw/zinc/58/11/16/807581116.db2.gz NBRCLSZOUQCJKE-MHORFTMASA-N 2 1 288.410 3.492 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccccc1F)C2 ZINC001169114050 807581726 /nfs/dbraw/zinc/58/17/26/807581726.db2.gz VTIVEAHQHOPUOI-ZSOGYDGISA-N 2 1 276.399 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccccc1F)C2 ZINC001169114050 807581732 /nfs/dbraw/zinc/58/17/32/807581732.db2.gz VTIVEAHQHOPUOI-ZSOGYDGISA-N 2 1 276.399 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(F)cc3)CC1)C2 ZINC001169120197 807583473 /nfs/dbraw/zinc/58/34/73/807583473.db2.gz ZKDOEAMZFVBFKN-BJWYYQGGSA-N 2 1 288.410 3.116 20 0 CGADMP C[NH2+]Cc1cn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(C)cc12 ZINC001169148063 807593010 /nfs/dbraw/zinc/59/30/10/807593010.db2.gz XMQMOFUOWHJAQK-FVQHAEBGSA-N 2 1 297.446 3.467 20 0 CGADMP CC1(C)C[C@H](Nc2cccn3cc[nH+]c23)C[C@@](C)(C[NH3+])C1 ZINC001169149128 807594076 /nfs/dbraw/zinc/59/40/76/807594076.db2.gz YCWXGWPKHXXYGB-SUMWQHHRSA-N 2 1 286.423 3.290 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152181 807594646 /nfs/dbraw/zinc/59/46/46/807594646.db2.gz AAOIFFJUCUWTQM-VIBAHUMZSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152181 807594650 /nfs/dbraw/zinc/59/46/50/807594650.db2.gz AAOIFFJUCUWTQM-VIBAHUMZSA-N 2 1 270.420 3.058 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152181 807594655 /nfs/dbraw/zinc/59/46/55/807594655.db2.gz AAOIFFJUCUWTQM-VIBAHUMZSA-N 2 1 270.420 3.058 20 0 CGADMP CCC[NH+]1CCC([NH2+]C2(c3ccc(C)cc3)CC2)CC1 ZINC001258767107 807602883 /nfs/dbraw/zinc/60/28/83/807602883.db2.gz QRTOOHDKTVKJJW-UHFFFAOYSA-N 2 1 272.436 3.448 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(C)cc32)CC1 ZINC001258769636 807603906 /nfs/dbraw/zinc/60/39/06/807603906.db2.gz ZCHSLSVPWCXVCV-QGZVFWFLSA-N 2 1 288.435 3.283 20 0 CGADMP CCCN1CCC([N@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC001258775847 807606792 /nfs/dbraw/zinc/60/67/92/807606792.db2.gz HCXDRHIRKCJIRB-HNNXBMFYSA-N 2 1 272.436 3.308 20 0 CGADMP CCC[NH+]1CCC([N@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC001258775847 807606801 /nfs/dbraw/zinc/60/68/01/807606801.db2.gz HCXDRHIRKCJIRB-HNNXBMFYSA-N 2 1 272.436 3.308 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)c1 ZINC001169233437 807611436 /nfs/dbraw/zinc/61/14/36/807611436.db2.gz QQRHXGHGJYAICZ-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3cccc(C)c3)CC2)CC1 ZINC001169242152 807612560 /nfs/dbraw/zinc/61/25/60/807612560.db2.gz XOTPLLUDEUGDAK-UHFFFAOYSA-N 2 1 258.409 3.058 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2ccc(OC)cc2)CC1 ZINC001169241343 807612937 /nfs/dbraw/zinc/61/29/37/807612937.db2.gz VQERPFRSFGVNIX-UHFFFAOYSA-N 2 1 290.451 3.090 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258792654 807615195 /nfs/dbraw/zinc/61/51/95/807615195.db2.gz IGIULUALXCMRHG-GJZGRUSLSA-N 2 1 295.471 3.331 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001169255979 807616311 /nfs/dbraw/zinc/61/63/11/807616311.db2.gz XAWDKJAXCUZQJW-AWEZNQCLSA-N 2 1 264.438 3.369 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001169255979 807616314 /nfs/dbraw/zinc/61/63/14/807616314.db2.gz XAWDKJAXCUZQJW-AWEZNQCLSA-N 2 1 264.438 3.369 20 0 CGADMP CC[N@H+](Cc1cccs1)C1CC[NH+](CC)CC1 ZINC001169262199 807618066 /nfs/dbraw/zinc/61/80/66/807618066.db2.gz WEGCMFBPGQFHRK-UHFFFAOYSA-N 2 1 252.427 3.054 20 0 CGADMP CC[N@@H+](Cc1cccs1)C1CC[NH+](CC)CC1 ZINC001169262199 807618069 /nfs/dbraw/zinc/61/80/69/807618069.db2.gz WEGCMFBPGQFHRK-UHFFFAOYSA-N 2 1 252.427 3.054 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001258804931 807624708 /nfs/dbraw/zinc/62/47/08/807624708.db2.gz CXSKZDPTQZDTGO-JCYILVPMSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C1CCC([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001258804931 807624711 /nfs/dbraw/zinc/62/47/11/807624711.db2.gz CXSKZDPTQZDTGO-JCYILVPMSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C1CCC([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001258804931 807624714 /nfs/dbraw/zinc/62/47/14/807624714.db2.gz CXSKZDPTQZDTGO-JCYILVPMSA-N 2 1 264.457 3.229 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258880665 807663638 /nfs/dbraw/zinc/66/36/38/807663638.db2.gz IDPSLGAJWIPWIG-PVAVHDDUSA-N 2 1 290.451 3.089 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@@H](C)Cc2ccccc2OC)CC1 ZINC001258896620 807668037 /nfs/dbraw/zinc/66/80/37/807668037.db2.gz SMCVUNJNRVEBCR-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)Cc2ccccc2OC)CC1 ZINC001258896620 807668041 /nfs/dbraw/zinc/66/80/41/807668041.db2.gz SMCVUNJNRVEBCR-HNNXBMFYSA-N 2 1 290.451 3.042 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC001261370932 807739680 /nfs/dbraw/zinc/73/96/80/807739680.db2.gz ZDGYDYUPYGOHOR-SECBINFHSA-N 2 1 292.757 3.029 20 0 CGADMP Cc1ccc[nH+]c1N([C@H]1CC[C@H](C)C1)C1CC[NH2+]CC1 ZINC001170162384 807783022 /nfs/dbraw/zinc/78/30/22/807783022.db2.gz SVCCEIYOUZMEBB-BBRMVZONSA-N 2 1 273.424 3.137 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC001262481527 807866563 /nfs/dbraw/zinc/86/65/63/807866563.db2.gz VUYYEUCLILHANI-ZIAGYGMSSA-N 2 1 282.815 3.008 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C[C@@H]21 ZINC001170728275 807889408 /nfs/dbraw/zinc/88/94/08/807889408.db2.gz SHZMMEMTYFILOW-AKVWJONGSA-N 2 1 296.458 3.141 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C[C@@H]21 ZINC001170728275 807889416 /nfs/dbraw/zinc/88/94/16/807889416.db2.gz SHZMMEMTYFILOW-AKVWJONGSA-N 2 1 296.458 3.141 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170730255 807890668 /nfs/dbraw/zinc/89/06/68/807890668.db2.gz JEDDCOQOMQJWSV-GQXCTEGCSA-N 2 1 262.441 3.026 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170730255 807890676 /nfs/dbraw/zinc/89/06/76/807890676.db2.gz JEDDCOQOMQJWSV-GQXCTEGCSA-N 2 1 262.441 3.026 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171017202 807961603 /nfs/dbraw/zinc/96/16/03/807961603.db2.gz GQXSOEXTIOKVQP-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171032877 807966731 /nfs/dbraw/zinc/96/67/31/807966731.db2.gz IQZOSVNPUVTKNQ-CYBMUJFWSA-N 2 1 289.810 3.158 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171093163 807981676 /nfs/dbraw/zinc/98/16/76/807981676.db2.gz DLFZSTDXBSNXOM-DYVFJYSZSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171434270 808054420 /nfs/dbraw/zinc/05/44/20/808054420.db2.gz SKTHKCSXNHMOEA-INIZCTEOSA-N 2 1 290.426 3.101 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccn1 ZINC001171613291 808105737 /nfs/dbraw/zinc/10/57/37/808105737.db2.gz IMHIRVOCYNZTQE-CYBMUJFWSA-N 2 1 275.440 3.384 20 0 CGADMP C[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@]1(C)O ZINC001171631754 808108900 /nfs/dbraw/zinc/10/89/00/808108900.db2.gz NIIGDAKBDWISKR-KSSFIOAISA-N 2 1 296.499 3.121 20 0 CGADMP CC1CC([N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171631875 808110052 /nfs/dbraw/zinc/11/00/52/808110052.db2.gz OUTGQYMZRFRDCL-UHFFFAOYSA-N 2 1 252.446 3.368 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1(C)C ZINC001171639931 808110591 /nfs/dbraw/zinc/11/05/91/808110591.db2.gz VOWKFJVVMAQFJQ-OAHLLOKOSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2Cc3ccncc3C2)CC1(C)C ZINC001171639468 808111131 /nfs/dbraw/zinc/11/11/31/808111131.db2.gz KYRUNNMBQJYRCJ-UHFFFAOYSA-N 2 1 273.424 3.049 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2Cc3ccncc3C2)CC1(C)C ZINC001171639468 808111139 /nfs/dbraw/zinc/11/11/39/808111139.db2.gz KYRUNNMBQJYRCJ-UHFFFAOYSA-N 2 1 273.424 3.049 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001171680023 808121643 /nfs/dbraw/zinc/12/16/43/808121643.db2.gz OIOYIWDFLVPVOX-IEBWSBKVSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001171680023 808121646 /nfs/dbraw/zinc/12/16/46/808121646.db2.gz OIOYIWDFLVPVOX-IEBWSBKVSA-N 2 1 286.463 3.344 20 0 CGADMP C[C@H]([NH3+])c1nc2ccccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098676 808169669 /nfs/dbraw/zinc/16/96/69/808169669.db2.gz GMOQZPJBHOAGRT-XQLPTFJDSA-N 2 1 298.434 3.244 20 0 CGADMP C1=CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075649 808170173 /nfs/dbraw/zinc/17/01/73/808170173.db2.gz CXLNRNKGLUCRRX-REPLKXPHSA-N 2 1 282.431 3.444 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC001172098547 808170261 /nfs/dbraw/zinc/17/02/61/808170261.db2.gz AMTHNJPBLGKLDZ-MUJYYYPQSA-N 2 1 280.362 3.070 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CCC3)C2 ZINC001172099594 808171474 /nfs/dbraw/zinc/17/14/74/808171474.db2.gz LJCQFMBYNASDSQ-LDLYASANSA-N 2 1 284.447 3.280 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001172100584 808171654 /nfs/dbraw/zinc/17/16/54/808171654.db2.gz FNAPKJKFRZZSDC-ZQDZILKHSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172099973 808171994 /nfs/dbraw/zinc/17/19/94/808171994.db2.gz LEJHAIAPFCOURR-LEUOFYLZSA-N 2 1 272.436 3.395 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C2 ZINC001172107183 808176744 /nfs/dbraw/zinc/17/67/44/808176744.db2.gz UHNJIAKLNCDEOZ-SYQHCUMBSA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C2 ZINC001172107183 808176748 /nfs/dbraw/zinc/17/67/48/808176748.db2.gz UHNJIAKLNCDEOZ-SYQHCUMBSA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCc1ccccn1)C2 ZINC001172105531 808176878 /nfs/dbraw/zinc/17/68/78/808176878.db2.gz IXUYTGWMZKORJB-BCDXTJNWSA-N 2 1 287.451 3.009 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3sccc31)C2 ZINC001172110037 808178800 /nfs/dbraw/zinc/17/88/00/808178800.db2.gz ITTSOTVQVVBEAT-XFMPKHEZSA-N 2 1 276.449 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3sccc31)C2 ZINC001172110037 808178804 /nfs/dbraw/zinc/17/88/04/808178804.db2.gz ITTSOTVQVVBEAT-XFMPKHEZSA-N 2 1 276.449 3.340 20 0 CGADMP Cc1cccc2c1CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172113630 808181447 /nfs/dbraw/zinc/18/14/47/808181447.db2.gz LFENZVUHFVQKTG-BCDXTJNWSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1cccc2c1CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172113630 808181453 /nfs/dbraw/zinc/18/14/53/808181453.db2.gz LFENZVUHFVQKTG-BCDXTJNWSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172113630 808181457 /nfs/dbraw/zinc/18/14/57/808181457.db2.gz LFENZVUHFVQKTG-BCDXTJNWSA-N 2 1 284.447 3.368 20 0 CGADMP CCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122096 808183755 /nfs/dbraw/zinc/18/37/55/808183755.db2.gz XBOVSZDNOACGQD-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP CCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122096 808183756 /nfs/dbraw/zinc/18/37/56/808183756.db2.gz XBOVSZDNOACGQD-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H](COc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119379 808184334 /nfs/dbraw/zinc/18/43/34/808184334.db2.gz ZCEOJWKWIDMRMK-WCXIOVBPSA-N 2 1 288.435 3.059 20 0 CGADMP C[C@H](COc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119379 808184337 /nfs/dbraw/zinc/18/43/37/808184337.db2.gz ZCEOJWKWIDMRMK-WCXIOVBPSA-N 2 1 288.435 3.059 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccco1)C1CC1)C2 ZINC001172127003 808186200 /nfs/dbraw/zinc/18/62/00/808186200.db2.gz FIHWGIUNGUARSY-ZSHCYNCHSA-N 2 1 274.408 3.259 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccco1)C1CC1)C2 ZINC001172127003 808186204 /nfs/dbraw/zinc/18/62/04/808186204.db2.gz FIHWGIUNGUARSY-ZSHCYNCHSA-N 2 1 274.408 3.259 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccco1)C1CC1)C2 ZINC001172127003 808186209 /nfs/dbraw/zinc/18/62/09/808186209.db2.gz FIHWGIUNGUARSY-ZSHCYNCHSA-N 2 1 274.408 3.259 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CSc2ccccc2C1 ZINC001172183896 808190195 /nfs/dbraw/zinc/19/01/95/808190195.db2.gz HRMTWJVPQGTDIS-MRXNPFEDSA-N 2 1 292.492 3.415 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172208055 808199388 /nfs/dbraw/zinc/19/93/88/808199388.db2.gz HBZZYMLVENUZPQ-MRXNPFEDSA-N 2 1 290.476 3.120 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172208055 808199392 /nfs/dbraw/zinc/19/93/92/808199392.db2.gz HBZZYMLVENUZPQ-MRXNPFEDSA-N 2 1 290.476 3.120 20 0 CGADMP CCC1([NH2+]C2CC[NH+](CCCOC)CC2)CCCCC1 ZINC001172247853 808209069 /nfs/dbraw/zinc/20/90/69/808209069.db2.gz YEIALGODRAMHBM-UHFFFAOYSA-N 2 1 282.472 3.190 20 0 CGADMP COCCC[NH+]1CCC([NH+]2CCC(C(C)(C)C)CC2)CC1 ZINC001172249208 808209460 /nfs/dbraw/zinc/20/94/60/808209460.db2.gz GEXWGXXTFBZSHL-UHFFFAOYSA-N 2 1 296.499 3.245 20 0 CGADMP COCCC[NH+]1CCC([NH+]2CCCCCCCC2)CC1 ZINC001172254539 808210068 /nfs/dbraw/zinc/21/00/68/808210068.db2.gz PUCAXHBCCAOZAX-UHFFFAOYSA-N 2 1 282.472 3.144 20 0 CGADMP CCCCCC(C)(C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172247701 808210240 /nfs/dbraw/zinc/21/02/40/808210240.db2.gz TTWJLHUYWRQOFM-UHFFFAOYSA-N 2 1 284.488 3.436 20 0 CGADMP CCC(CC)[N@@H+]([C@@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172279061 808212675 /nfs/dbraw/zinc/21/26/75/808212675.db2.gz BETIBLFFJXJXJW-BPUTZDHNSA-N 2 1 282.472 3.314 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172324522 808233955 /nfs/dbraw/zinc/23/39/55/808233955.db2.gz HHUAQZLQRDMDKQ-VGWMRTNUSA-N 2 1 270.461 3.043 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172335843 808237401 /nfs/dbraw/zinc/23/74/01/808237401.db2.gz KRWHJCDNZBIYGF-VYDXJSESSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172335843 808237404 /nfs/dbraw/zinc/23/74/04/808237404.db2.gz KRWHJCDNZBIYGF-VYDXJSESSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172335407 808237428 /nfs/dbraw/zinc/23/74/28/808237428.db2.gz FBWAYAYTJAFTPI-JKSUJKDBSA-N 2 1 282.472 3.140 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172840226 808454979 /nfs/dbraw/zinc/45/49/79/808454979.db2.gz AQZMNRAAJYQAJB-YSTOQKLRSA-N 2 1 298.474 3.457 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172840226 808454984 /nfs/dbraw/zinc/45/49/84/808454984.db2.gz AQZMNRAAJYQAJB-YSTOQKLRSA-N 2 1 298.474 3.457 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172841829 808456734 /nfs/dbraw/zinc/45/67/34/808456734.db2.gz IAUVMPATJWGDGY-GOSISDBHSA-N 2 1 274.452 3.126 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172926300 808483169 /nfs/dbraw/zinc/48/31/69/808483169.db2.gz AHTSABVPOKJHIA-QBPKDAKJSA-N 2 1 282.472 3.172 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC1 ZINC001173108356 808512441 /nfs/dbraw/zinc/51/24/41/808512441.db2.gz CPQGXPXGODFFQT-FCCDEINASA-N 2 1 294.483 3.140 20 0 CGADMP CCCC[C@H](CC(C)C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001173257839 808563116 /nfs/dbraw/zinc/56/31/16/808563116.db2.gz WVCPJUMLKBJTEM-QGZVFWFLSA-N 2 1 284.488 3.292 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173258872 808564628 /nfs/dbraw/zinc/56/46/28/808564628.db2.gz FIDWNMSNCSBIGD-IXDOHACOSA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001173258872 808564632 /nfs/dbraw/zinc/56/46/32/808564632.db2.gz FIDWNMSNCSBIGD-IXDOHACOSA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001173258872 808564634 /nfs/dbraw/zinc/56/46/34/808564634.db2.gz FIDWNMSNCSBIGD-IXDOHACOSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173270044 808574262 /nfs/dbraw/zinc/57/42/62/808574262.db2.gz MFWBTWDDHLJLSG-OVWQWFNUSA-N 2 1 294.483 3.316 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC)C2)C1 ZINC001173275797 808579271 /nfs/dbraw/zinc/57/92/71/808579271.db2.gz UFSAFHHPAYGRAH-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC)C2)C1 ZINC001173275797 808579276 /nfs/dbraw/zinc/57/92/76/808579276.db2.gz UFSAFHHPAYGRAH-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001173294863 808595096 /nfs/dbraw/zinc/59/50/96/808595096.db2.gz IKMIUZVMPCJECA-CYBMUJFWSA-N 2 1 296.455 3.217 20 0 CGADMP CC[N@H+]1CC[C@@H](n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)C1 ZINC001173360609 808629862 /nfs/dbraw/zinc/62/98/62/808629862.db2.gz QHLKBCCZDHQPIT-GOEBONIOSA-N 2 1 285.435 3.106 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1(C[NH3+])CC1 ZINC001173548138 808646541 /nfs/dbraw/zinc/64/65/41/808646541.db2.gz YGIKUTDTSYXUHQ-SNVBAGLBSA-N 2 1 287.234 3.395 20 0 CGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061128 808903601 /nfs/dbraw/zinc/90/36/01/808903601.db2.gz CQPYYZJDZBSCIG-YESZJQIVSA-N 2 1 289.467 3.205 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061128 808903604 /nfs/dbraw/zinc/90/36/04/808903604.db2.gz CQPYYZJDZBSCIG-YESZJQIVSA-N 2 1 289.467 3.205 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061128 808903609 /nfs/dbraw/zinc/90/36/09/808903609.db2.gz CQPYYZJDZBSCIG-YESZJQIVSA-N 2 1 289.467 3.205 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001275151950 808917955 /nfs/dbraw/zinc/91/79/55/808917955.db2.gz WWXLDYZKIDXQDB-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001275151950 808917962 /nfs/dbraw/zinc/91/79/62/808917962.db2.gz WWXLDYZKIDXQDB-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001275151950 808917969 /nfs/dbraw/zinc/91/79/69/808917969.db2.gz WWXLDYZKIDXQDB-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC001275923764 808976819 /nfs/dbraw/zinc/97/68/19/808976819.db2.gz DCOZNTOKLWPRIM-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC001275923764 808976821 /nfs/dbraw/zinc/97/68/21/808976821.db2.gz DCOZNTOKLWPRIM-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CC3Cc4ccccc4C3)C2)C1 ZINC001276003445 808983050 /nfs/dbraw/zinc/98/30/50/808983050.db2.gz KVEYLNBCNKHABN-FQEVSTJZSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CC3Cc4ccccc4C3)C2)C1 ZINC001276003445 808983054 /nfs/dbraw/zinc/98/30/54/808983054.db2.gz KVEYLNBCNKHABN-FQEVSTJZSA-N 2 1 298.474 3.209 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CC3Cc4ccccc4C3)C2)C1 ZINC001276003445 808983057 /nfs/dbraw/zinc/98/30/57/808983057.db2.gz KVEYLNBCNKHABN-FQEVSTJZSA-N 2 1 298.474 3.209 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276031118 808984990 /nfs/dbraw/zinc/98/49/90/808984990.db2.gz HDQBMUMZSFOFFL-HZPDHXFCSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(C)C)cc1 ZINC001276163689 808991437 /nfs/dbraw/zinc/99/14/37/808991437.db2.gz GRPCEJBWKNIQOG-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(C)C)cc1 ZINC001276163689 808991443 /nfs/dbraw/zinc/99/14/43/808991443.db2.gz GRPCEJBWKNIQOG-ALOPSCKCSA-N 2 1 288.435 3.189 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1C ZINC001276228523 808994321 /nfs/dbraw/zinc/99/43/21/808994321.db2.gz XXADTBVXZXXNOW-ALOPSCKCSA-N 2 1 258.409 3.018 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)cc(F)c3F)(C1)CCC2 ZINC001276363774 809003422 /nfs/dbraw/zinc/00/34/22/809003422.db2.gz RDGIHMZBBNLSIV-JKSUJKDBSA-N 2 1 298.352 3.258 20 0 CGADMP C[C@@H](C[NH+]1CCC2(CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001276436995 809009180 /nfs/dbraw/zinc/00/91/80/809009180.db2.gz VPQRWEJQPUNNAK-INIZCTEOSA-N 2 1 272.436 3.208 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)o1 ZINC001276469247 809011469 /nfs/dbraw/zinc/01/14/69/809011469.db2.gz AQQROTWPDQPYOO-CRAIPNDOSA-N 2 1 290.451 3.499 20 0 CGADMP Cc1ccc([C@H](C)CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC001276469247 809011475 /nfs/dbraw/zinc/01/14/75/809011475.db2.gz AQQROTWPDQPYOO-CRAIPNDOSA-N 2 1 290.451 3.499 20 0 CGADMP Cc1ccc([C@H](C)CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC001276469247 809011479 /nfs/dbraw/zinc/01/14/79/809011479.db2.gz AQQROTWPDQPYOO-CRAIPNDOSA-N 2 1 290.451 3.499 20 0 CGADMP Cc1cccc(F)c1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276687373 809024882 /nfs/dbraw/zinc/02/48/82/809024882.db2.gz CMIPTSHKBNOEMZ-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cccc(F)c1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276687373 809024887 /nfs/dbraw/zinc/02/48/87/809024887.db2.gz CMIPTSHKBNOEMZ-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276687373 809024893 /nfs/dbraw/zinc/02/48/93/809024893.db2.gz CMIPTSHKBNOEMZ-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cccc(F)c1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276687373 809024897 /nfs/dbraw/zinc/02/48/97/809024897.db2.gz CMIPTSHKBNOEMZ-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC001276788933 809030393 /nfs/dbraw/zinc/03/03/93/809030393.db2.gz CXWGMZAJFFGFFD-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2occc21 ZINC001276790467 809031280 /nfs/dbraw/zinc/03/12/80/809031280.db2.gz SFNLTJCPXLWGLH-GOOCMWNKSA-N 2 1 270.376 3.148 20 0 CGADMP Cc1cccc2[nH]cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c21 ZINC001276840144 809035099 /nfs/dbraw/zinc/03/50/99/809035099.db2.gz KCQQLAPRVFBSCS-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c21 ZINC001276840144 809035108 /nfs/dbraw/zinc/03/51/08/809035108.db2.gz KCQQLAPRVFBSCS-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c21 ZINC001276840144 809035116 /nfs/dbraw/zinc/03/51/16/809035116.db2.gz KCQQLAPRVFBSCS-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cn1ccc2cc(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)ccc21 ZINC001276840414 809036166 /nfs/dbraw/zinc/03/61/66/809036166.db2.gz OCWQELBRZMXTIS-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276830845 809036316 /nfs/dbraw/zinc/03/63/16/809036316.db2.gz VWYYJRCHBUPXJA-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cn1 ZINC001276830845 809036325 /nfs/dbraw/zinc/03/63/25/809036325.db2.gz VWYYJRCHBUPXJA-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276830845 809036331 /nfs/dbraw/zinc/03/63/31/809036331.db2.gz VWYYJRCHBUPXJA-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276830845 809036339 /nfs/dbraw/zinc/03/63/39/809036339.db2.gz VWYYJRCHBUPXJA-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP CC(C)[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277797027 809097450 /nfs/dbraw/zinc/09/74/50/809097450.db2.gz OAZCGWNXEOSXKT-UHFFFAOYSA-N 2 1 275.440 3.101 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001177295162 809791964 /nfs/dbraw/zinc/79/19/64/809791964.db2.gz YKTWDFJPQLRYES-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1 ZINC001179814980 809947232 /nfs/dbraw/zinc/94/72/32/809947232.db2.gz CCUUARBFFFVATJ-FGTMMUONSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1ccc(CC[NH2+]CCC[N@H+](C)CC(C)C)cc1C ZINC001182716421 810121584 /nfs/dbraw/zinc/12/15/84/810121584.db2.gz VGWBMBHPPPYCDX-UHFFFAOYSA-N 2 1 276.468 3.413 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001184339732 810194300 /nfs/dbraw/zinc/19/43/00/810194300.db2.gz SARXQLXGDNMBRJ-SJORKVTESA-N 2 1 284.447 3.082 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001191743207 810734913 /nfs/dbraw/zinc/73/49/13/810734913.db2.gz RBGBHLVZKJGOOW-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H](C)CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001197105070 811399000 /nfs/dbraw/zinc/39/90/00/811399000.db2.gz PKVBGIHHVIEAGY-CYBMUJFWSA-N 2 1 261.413 3.238 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001197105070 811399009 /nfs/dbraw/zinc/39/90/09/811399009.db2.gz PKVBGIHHVIEAGY-CYBMUJFWSA-N 2 1 261.413 3.238 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C[C@H]1CCO[C@H](CC)C1)[NH+](C)C ZINC001199170177 811562397 /nfs/dbraw/zinc/56/23/97/811562397.db2.gz BYBIUGHSQJBZMP-UAGQMJEPSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)CC1 ZINC001199708812 811589907 /nfs/dbraw/zinc/58/99/07/811589907.db2.gz MOXSMFBBOJXGTR-FYRZTWFESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)CC1 ZINC001199708812 811589910 /nfs/dbraw/zinc/58/99/10/811589910.db2.gz MOXSMFBBOJXGTR-FYRZTWFESA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC001199743611 811594515 /nfs/dbraw/zinc/59/45/15/811594515.db2.gz XSNDJROJTGIMKA-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC001199743611 811594518 /nfs/dbraw/zinc/59/45/18/811594518.db2.gz XSNDJROJTGIMKA-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001199924225 811613288 /nfs/dbraw/zinc/61/32/88/811613288.db2.gz DFCGJMGOJWIXDW-ZIAGYGMSSA-N 2 1 261.413 3.064 20 0 CGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001201399820 811829347 /nfs/dbraw/zinc/82/93/47/811829347.db2.gz ITJLWHYUGFRWNG-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001201580935 811911904 /nfs/dbraw/zinc/91/19/04/811911904.db2.gz LNEZESHKAJTCRX-CWRNSKLLSA-N 2 1 278.465 3.300 20 0 CGADMP CC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001201580935 811911909 /nfs/dbraw/zinc/91/19/09/811911909.db2.gz LNEZESHKAJTCRX-CWRNSKLLSA-N 2 1 278.465 3.300 20 0 CGADMP CC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001201580935 811911914 /nfs/dbraw/zinc/91/19/14/811911914.db2.gz LNEZESHKAJTCRX-CWRNSKLLSA-N 2 1 278.465 3.300 20 0 CGADMP CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001202087154 812012923 /nfs/dbraw/zinc/01/29/23/812012923.db2.gz PVOKDARFKREKJC-HDICACEKSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202087154 812012932 /nfs/dbraw/zinc/01/29/32/812012932.db2.gz PVOKDARFKREKJC-HDICACEKSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202087154 812012940 /nfs/dbraw/zinc/01/29/40/812012940.db2.gz PVOKDARFKREKJC-HDICACEKSA-N 2 1 286.463 3.486 20 0 CGADMP C(C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C1CCOCC1 ZINC001202660534 812147357 /nfs/dbraw/zinc/14/73/57/812147357.db2.gz GTALIGSERWUJII-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP CC(C)C(C[NH2+]CC[N@@H+]1CCCC1(C)C)C(C)C ZINC001202789311 812174123 /nfs/dbraw/zinc/17/41/23/812174123.db2.gz AJIJSFKBYWNYQL-UHFFFAOYSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)C(C[NH2+]CC[N@H+]1CCCC1(C)C)C(C)C ZINC001202789311 812174127 /nfs/dbraw/zinc/17/41/27/812174127.db2.gz AJIJSFKBYWNYQL-UHFFFAOYSA-N 2 1 254.462 3.379 20 0 CGADMP COc1cc(C)[nH+]cc1-c1ccc(C[NH+](C)C)cc1 ZINC001204639164 812697947 /nfs/dbraw/zinc/69/79/47/812697947.db2.gz ZUJDLXFJEOCUHL-UHFFFAOYSA-N 2 1 256.349 3.127 20 0 CGADMP c1ccc(-c2ccccc2C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204667967 812704044 /nfs/dbraw/zinc/70/40/44/812704044.db2.gz QLJBMCHWKKWBCS-UHFFFAOYSA-N 2 1 266.388 3.149 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204667967 812704049 /nfs/dbraw/zinc/70/40/49/812704049.db2.gz QLJBMCHWKKWBCS-UHFFFAOYSA-N 2 1 266.388 3.149 20 0 CGADMP Cc1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc(F)c1F ZINC001204742156 812723262 /nfs/dbraw/zinc/72/32/62/812723262.db2.gz IVPCLUOETHLYJO-UHFFFAOYSA-N 2 1 294.389 3.239 20 0 CGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204764379 812729509 /nfs/dbraw/zinc/72/95/09/812729509.db2.gz YFTIDNLKGHNJLM-SJLPKXTDSA-N 2 1 294.483 3.077 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204770307 812730434 /nfs/dbraw/zinc/73/04/34/812730434.db2.gz CZDCAEFNJPMVJY-SFHVURJKSA-N 2 1 285.435 3.389 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204770307 812730442 /nfs/dbraw/zinc/73/04/42/812730442.db2.gz CZDCAEFNJPMVJY-SFHVURJKSA-N 2 1 285.435 3.389 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC001205077613 812850105 /nfs/dbraw/zinc/85/01/05/812850105.db2.gz PURBBJJQDZETAL-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC001205095802 812861043 /nfs/dbraw/zinc/86/10/43/812861043.db2.gz LUOGNNZCNRLKAG-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC001205095802 812861052 /nfs/dbraw/zinc/86/10/52/812861052.db2.gz LUOGNNZCNRLKAG-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c2ccccc12 ZINC001205101494 812865286 /nfs/dbraw/zinc/86/52/86/812865286.db2.gz GUWAAZKJZCPYIU-MRXNPFEDSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1csc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205102582 812867826 /nfs/dbraw/zinc/86/78/26/812867826.db2.gz TXGHSAGBVFIQAI-JTQLQIEISA-N 2 1 258.818 3.023 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205102582 812867836 /nfs/dbraw/zinc/86/78/36/812867836.db2.gz TXGHSAGBVFIQAI-JTQLQIEISA-N 2 1 258.818 3.023 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC001205117165 812874971 /nfs/dbraw/zinc/87/49/71/812874971.db2.gz MJKNZUXJGHGDAK-HNNXBMFYSA-N 2 1 270.376 3.260 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124712 812878908 /nfs/dbraw/zinc/87/89/08/812878908.db2.gz YNZSDOAZKCCRAZ-HNNXBMFYSA-N 2 1 276.424 3.177 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(C)c1OC(C)C ZINC001205124754 812879244 /nfs/dbraw/zinc/87/92/44/812879244.db2.gz ZRSAAPNLDMZPQY-KRWDZBQOSA-N 2 1 290.451 3.404 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001205164938 812894840 /nfs/dbraw/zinc/89/48/40/812894840.db2.gz XGDPECACAMYVJC-GOEBONIOSA-N 2 1 258.409 3.138 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCCC[C@@H]2c2ccccc2)CO1 ZINC001205170651 812897779 /nfs/dbraw/zinc/89/77/79/812897779.db2.gz ALDXFGZYOXDRJQ-DLBZAZTESA-N 2 1 288.435 3.328 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CCCC[C@@H]2c2ccccc2)CO1 ZINC001205170651 812897784 /nfs/dbraw/zinc/89/77/84/812897784.db2.gz ALDXFGZYOXDRJQ-DLBZAZTESA-N 2 1 288.435 3.328 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205263656 812920787 /nfs/dbraw/zinc/92/07/87/812920787.db2.gz BGGDTBOCTOFAQP-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205263656 812920792 /nfs/dbraw/zinc/92/07/92/812920792.db2.gz BGGDTBOCTOFAQP-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1Cl ZINC001205274341 812926637 /nfs/dbraw/zinc/92/66/37/812926637.db2.gz VTYVOQHNWWMDHX-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1(C)C ZINC001205297138 812937572 /nfs/dbraw/zinc/93/75/72/812937572.db2.gz ZWGQXLTZAQUGMF-CWRNSKLLSA-N 2 1 264.457 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC001205296333 812937593 /nfs/dbraw/zinc/93/75/93/812937593.db2.gz MOUUCOKCASQTGO-HIFRSBDPSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001205296616 812937779 /nfs/dbraw/zinc/93/77/79/812937779.db2.gz RQQHFQFYKRVRDF-INIZCTEOSA-N 2 1 275.371 3.010 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3sccc32)C[C@H]1C[NH3+] ZINC001205318548 812950298 /nfs/dbraw/zinc/95/02/98/812950298.db2.gz VWLNGTJRPVJFQO-TZMCWYRMSA-N 2 1 274.433 3.318 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cccccc2-3)C[C@@H]1C[NH3+] ZINC001205317388 812950910 /nfs/dbraw/zinc/95/09/10/812950910.db2.gz ORCGZDQROIGQQR-PBHICJAKSA-N 2 1 268.404 3.208 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001205331978 812958816 /nfs/dbraw/zinc/95/88/16/812958816.db2.gz LEYQGXKQTWRVJA-KRWDZBQOSA-N 2 1 294.442 3.461 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001205331978 812958820 /nfs/dbraw/zinc/95/88/20/812958820.db2.gz LEYQGXKQTWRVJA-KRWDZBQOSA-N 2 1 294.442 3.461 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205539324 812996395 /nfs/dbraw/zinc/99/63/95/812996395.db2.gz WQRWLWCNINSPAE-HUUCEWRRSA-N 2 1 258.425 3.356 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC001205558038 813001932 /nfs/dbraw/zinc/00/19/32/813001932.db2.gz AZUWDFDRDXCTPS-MRXNPFEDSA-N 2 1 276.355 3.086 20 0 CGADMP C[C@H]1CC[N@@H+](CC2(C)CCCCC2)CC[C@H]1C[NH3+] ZINC001205603538 813019278 /nfs/dbraw/zinc/01/92/78/813019278.db2.gz PWUWVYHYSMGHQG-GJZGRUSLSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205618500 813028539 /nfs/dbraw/zinc/02/85/39/813028539.db2.gz WQDTYBXMLYEDJL-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205618335 813029694 /nfs/dbraw/zinc/02/96/94/813029694.db2.gz UVYSSKMZLKZBSI-NVXWUHKLSA-N 2 1 290.451 3.281 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c[nH]c2c1 ZINC001205618945 813031122 /nfs/dbraw/zinc/03/11/22/813031122.db2.gz ZKXKXHLLGPNXCF-HUUCEWRRSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205627388 813031964 /nfs/dbraw/zinc/03/19/64/813031964.db2.gz OWQFOMMHHVEUEI-YPMHNXCESA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2nccc3ccccc32)CC[C@H]1C[NH3+] ZINC001205638478 813036399 /nfs/dbraw/zinc/03/63/99/813036399.db2.gz OKOUQKOUJXXLCM-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)cc1F ZINC001205639284 813038194 /nfs/dbraw/zinc/03/81/94/813038194.db2.gz YMRSZQRVFHCPEK-AAEUAGOBSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651968 813041943 /nfs/dbraw/zinc/04/19/43/813041943.db2.gz MPHOWJANIVIFJX-TZMCWYRMSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c3ccoc3ccc2F)CC[C@H]1C[NH3+] ZINC001205654182 813044315 /nfs/dbraw/zinc/04/43/15/813044315.db2.gz WPLXFKOYUDCLAG-STQMWFEESA-N 2 1 290.382 3.379 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)nc1C ZINC001205654486 813044409 /nfs/dbraw/zinc/04/44/09/813044409.db2.gz WZZLPFSGEYTQGN-SMDDNHRTSA-N 2 1 295.858 3.159 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)CCC1(F)F ZINC001205760609 813069594 /nfs/dbraw/zinc/06/95/94/813069594.db2.gz CNYJOGXGLMJIDC-INIZCTEOSA-N 2 1 290.357 3.256 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCC1(F)F ZINC001205760609 813069602 /nfs/dbraw/zinc/06/96/02/813069602.db2.gz CNYJOGXGLMJIDC-INIZCTEOSA-N 2 1 290.357 3.256 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CCC1(F)F ZINC001205763638 813070042 /nfs/dbraw/zinc/07/00/42/813070042.db2.gz RKTPGXNUCOYMGX-OAHLLOKOSA-N 2 1 290.357 3.256 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CCC1(F)F ZINC001205779417 813076024 /nfs/dbraw/zinc/07/60/24/813076024.db2.gz KSWGVMSYSUALGL-LBPRGKRZSA-N 2 1 290.304 3.040 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCC1(F)F ZINC001205779417 813076033 /nfs/dbraw/zinc/07/60/33/813076033.db2.gz KSWGVMSYSUALGL-LBPRGKRZSA-N 2 1 290.304 3.040 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001205803688 813082441 /nfs/dbraw/zinc/08/24/41/813082441.db2.gz ITZAIDRTTSVJNE-KDOFPFPSSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001205803688 813082450 /nfs/dbraw/zinc/08/24/50/813082450.db2.gz ITZAIDRTTSVJNE-KDOFPFPSSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001205863206 813112806 /nfs/dbraw/zinc/11/28/06/813112806.db2.gz JIBJLVKADOHOOB-JMGFVUJMSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC001205863206 813112812 /nfs/dbraw/zinc/11/28/12/813112812.db2.gz JIBJLVKADOHOOB-JMGFVUJMSA-N 2 1 278.827 3.113 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)C2)cc1 ZINC001205895326 813121227 /nfs/dbraw/zinc/12/12/27/813121227.db2.gz DTOKFHLDIVLQOV-ZTFGCOKTSA-N 2 1 292.442 3.360 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@H]([NH3+])[C@H](F)C2)cc1 ZINC001205895326 813121229 /nfs/dbraw/zinc/12/12/29/813121229.db2.gz DTOKFHLDIVLQOV-ZTFGCOKTSA-N 2 1 292.442 3.360 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c[nH]c2c1 ZINC001205900986 813122604 /nfs/dbraw/zinc/12/26/04/813122604.db2.gz AHBDXLWMAVLBAL-UONOGXRCSA-N 2 1 271.408 3.036 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901569 813123466 /nfs/dbraw/zinc/12/34/66/813123466.db2.gz DGCMZPDMDJUUDB-GJZGRUSLSA-N 2 1 285.435 3.220 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccncc2)cc1 ZINC001205903287 813124718 /nfs/dbraw/zinc/12/47/18/813124718.db2.gz NZCGQXOQXMOROU-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCCc1ccccc1 ZINC001205903065 813125006 /nfs/dbraw/zinc/12/50/06/813125006.db2.gz NLUAEZCBTRSHPB-AEFFLSMTSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(Br)c1 ZINC001205903587 813126543 /nfs/dbraw/zinc/12/65/43/813126543.db2.gz QFRAGHCMFCXWFE-YPMHNXCESA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(Br)c1 ZINC001205903587 813126544 /nfs/dbraw/zinc/12/65/44/813126544.db2.gz QFRAGHCMFCXWFE-YPMHNXCESA-N 2 1 297.240 3.008 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904899 813127677 /nfs/dbraw/zinc/12/76/77/813127677.db2.gz YBVWWFFIKCIJKM-HOCLYGCPSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205905195 813128325 /nfs/dbraw/zinc/12/83/25/813128325.db2.gz ZIQHLKPYZKUDND-CHWSQXEVSA-N 2 1 289.398 3.175 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cncc(-c2ccccc2)c1 ZINC001205912446 813129338 /nfs/dbraw/zinc/12/93/38/813129338.db2.gz AKCIQWJCBLEQPX-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2c1CCCC2 ZINC001205915616 813131194 /nfs/dbraw/zinc/13/11/94/813131194.db2.gz QAVRBEZVMPRILM-GOEBONIOSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(C)c1F ZINC001205913553 813131450 /nfs/dbraw/zinc/13/14/50/813131450.db2.gz JBCGGYAHRAOKON-UKRRQHHQSA-N 2 1 264.388 3.002 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205916901 813133129 /nfs/dbraw/zinc/13/31/29/813133129.db2.gz WHWVQYPSODLDSR-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205916901 813133134 /nfs/dbraw/zinc/13/31/34/813133134.db2.gz WHWVQYPSODLDSR-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205923159 813135821 /nfs/dbraw/zinc/13/58/21/813135821.db2.gz JZCIJHYRDHRJQM-OLZOCXBDSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205923159 813135826 /nfs/dbraw/zinc/13/58/26/813135826.db2.gz JZCIJHYRDHRJQM-OLZOCXBDSA-N 2 1 296.842 3.298 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](Cc2csc3ccccc23)C1 ZINC001205932567 813139418 /nfs/dbraw/zinc/13/94/18/813139418.db2.gz RSYZNODVRPQMTB-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001205932567 813139419 /nfs/dbraw/zinc/13/94/19/813139419.db2.gz RSYZNODVRPQMTB-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)CCC[C@@H]1C[NH3+] ZINC001205981846 813152052 /nfs/dbraw/zinc/15/20/52/813152052.db2.gz HWZMWTIWDPYCJR-GDBMZVCRSA-N 2 1 278.415 3.065 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC001205984643 813152576 /nfs/dbraw/zinc/15/25/76/813152576.db2.gz SXJWBZIDDNMAKY-CVEARBPZSA-N 2 1 290.451 3.119 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001205985795 813153251 /nfs/dbraw/zinc/15/32/51/813153251.db2.gz ZZCPCTWJCXRHRD-HZMVEIRTSA-N 2 1 264.457 3.286 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC001205988691 813154165 /nfs/dbraw/zinc/15/41/65/813154165.db2.gz HXPUERDFOKEFRA-LJQANCHMSA-N 2 1 286.463 3.264 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC001205988691 813154171 /nfs/dbraw/zinc/15/41/71/813154171.db2.gz HXPUERDFOKEFRA-LJQANCHMSA-N 2 1 286.463 3.264 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC001205988691 813154175 /nfs/dbraw/zinc/15/41/75/813154175.db2.gz HXPUERDFOKEFRA-LJQANCHMSA-N 2 1 286.463 3.264 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)CCC[C@H]1C[NH3+] ZINC001205993587 813154953 /nfs/dbraw/zinc/15/49/53/813154953.db2.gz IDUNTILFOZMJAX-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001205995720 813156890 /nfs/dbraw/zinc/15/68/90/813156890.db2.gz PRMWDVLQHQZLGT-JSGCOSHPSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)CCC[C@@H]1C[NH3+] ZINC001205996371 813158306 /nfs/dbraw/zinc/15/83/06/813158306.db2.gz WPKQGUCDMQUJCW-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2sccc2Cl)CCC[C@H]1C[NH3+] ZINC001205996732 813158550 /nfs/dbraw/zinc/15/85/50/813158550.db2.gz XZLMAKNGZNASBS-MNOVXSKESA-N 2 1 272.845 3.208 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCC[C@H]1C[NH3+] ZINC001206004161 813160895 /nfs/dbraw/zinc/16/08/95/813160895.db2.gz QUEMEIVNXKWEBY-ZFWWWQNUSA-N 2 1 272.392 3.240 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206005604 813162643 /nfs/dbraw/zinc/16/26/43/813162643.db2.gz YUEVMHHTDVAEPB-HOCLYGCPSA-N 2 1 260.425 3.056 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001206011564 813164095 /nfs/dbraw/zinc/16/40/95/813164095.db2.gz DSYZYMKBPQTLMN-YPMHNXCESA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)CCC[C@@H]1C[NH3+] ZINC001206012042 813165341 /nfs/dbraw/zinc/16/53/41/813165341.db2.gz IDTNVTVCTHKBON-GOEBONIOSA-N 2 1 299.418 3.148 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c12 ZINC001206024523 813170423 /nfs/dbraw/zinc/17/04/23/813170423.db2.gz JPDXAEWNEUWWSU-HZPDHXFCSA-N 2 1 297.446 3.350 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1cccc(F)c1 ZINC001206049939 813182256 /nfs/dbraw/zinc/18/22/56/813182256.db2.gz VNNBNAZVSAGPSS-UHFFFAOYSA-N 2 1 290.407 3.165 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]CC1 ZINC001206049397 813182289 /nfs/dbraw/zinc/18/22/89/813182289.db2.gz LWRMIJBYJSLOJJ-MRXNPFEDSA-N 2 1 276.399 3.352 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C[C@@H]1C ZINC001206109548 813202169 /nfs/dbraw/zinc/20/21/69/813202169.db2.gz BJEPEELRKDCKLM-OLZOCXBDSA-N 2 1 278.465 3.262 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206156694 813216634 /nfs/dbraw/zinc/21/66/34/813216634.db2.gz SCEBKBHKCQQZJP-IRXDYDNUSA-N 2 1 294.414 3.127 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC[C@@H]1F ZINC001206163986 813221069 /nfs/dbraw/zinc/22/10/69/813221069.db2.gz ILABWTSIWHWMHP-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC[C@@H]1F ZINC001206163986 813221072 /nfs/dbraw/zinc/22/10/72/813221072.db2.gz ILABWTSIWHWMHP-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3ccc(Cl)cc23)CC[C@H]1F ZINC001206165799 813222273 /nfs/dbraw/zinc/22/22/73/813222273.db2.gz OUWJAJWLMNOVCS-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC[C@H]1F ZINC001206165799 813222276 /nfs/dbraw/zinc/22/22/76/813222276.db2.gz OUWJAJWLMNOVCS-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206183085 813230128 /nfs/dbraw/zinc/23/01/28/813230128.db2.gz FLOWDJGUAOYGPO-IRXDYDNUSA-N 2 1 278.415 3.146 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206188933 813233121 /nfs/dbraw/zinc/23/31/21/813233121.db2.gz WIVAJNKABCKDEF-CVEARBPZSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206188933 813233124 /nfs/dbraw/zinc/23/31/24/813233124.db2.gz WIVAJNKABCKDEF-CVEARBPZSA-N 2 1 294.414 3.043 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001206277348 813268421 /nfs/dbraw/zinc/26/84/21/813268421.db2.gz SHCGVLYGPNZOOE-ZDUSSCGKSA-N 2 1 272.367 3.020 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001206277348 813268426 /nfs/dbraw/zinc/26/84/26/813268426.db2.gz SHCGVLYGPNZOOE-ZDUSSCGKSA-N 2 1 272.367 3.020 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc(C)c1F ZINC001206311592 813284826 /nfs/dbraw/zinc/28/48/26/813284826.db2.gz QYYDVOGLKOCOLD-KRWDZBQOSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3cccnc3s2)CC1 ZINC001206318826 813287700 /nfs/dbraw/zinc/28/77/00/813287700.db2.gz UPVQOKHBZHXDCB-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP C[C@@]1(F)CCCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206406184 813314531 /nfs/dbraw/zinc/31/45/31/813314531.db2.gz VSQVZTBSUVISFP-MRXNPFEDSA-N 2 1 262.372 3.004 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206548948 813348322 /nfs/dbraw/zinc/34/83/22/813348322.db2.gz KXCDSXZFQCJAID-SFHVURJKSA-N 2 1 290.451 3.425 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)c1 ZINC001206572105 813357414 /nfs/dbraw/zinc/35/74/14/813357414.db2.gz AURLZUJFUUXLMF-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)c1 ZINC001206572105 813357422 /nfs/dbraw/zinc/35/74/22/813357422.db2.gz AURLZUJFUUXLMF-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP CCc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)o1 ZINC001206582455 813361651 /nfs/dbraw/zinc/36/16/51/813361651.db2.gz NWDFILPLTUQKHK-CQSZACIVSA-N 2 1 264.413 3.195 20 0 CGADMP CC(C)[N@@H+](CCC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC001206582114 813362023 /nfs/dbraw/zinc/36/20/23/813362023.db2.gz MALWDRNYJJZXRL-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1csc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206580978 813362399 /nfs/dbraw/zinc/36/23/99/813362399.db2.gz GSCGSMUYEXWUDS-AWEZNQCLSA-N 2 1 266.454 3.409 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206622924 813377000 /nfs/dbraw/zinc/37/70/00/813377000.db2.gz JCHQDQNRUDEMQQ-OAHLLOKOSA-N 2 1 285.435 3.222 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206640015 813384499 /nfs/dbraw/zinc/38/44/99/813384499.db2.gz HULONSGAJZXAQM-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206640015 813384508 /nfs/dbraw/zinc/38/45/08/813384508.db2.gz HULONSGAJZXAQM-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1cccc(Cl)c1 ZINC001206760303 813426149 /nfs/dbraw/zinc/42/61/49/813426149.db2.gz COLJUKLMVDBJCQ-DZGCQCFKSA-N 2 1 280.843 3.332 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)C1(C)C ZINC001206760729 813426620 /nfs/dbraw/zinc/42/66/20/813426620.db2.gz KURIEGGGKLXBKW-ARFHVFGLSA-N 2 1 264.457 3.428 20 0 CGADMP CCCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206768318 813430634 /nfs/dbraw/zinc/43/06/34/813430634.db2.gz JDZJGPGPARDOQF-GJZGRUSLSA-N 2 1 276.424 3.035 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1C(C)C ZINC001206769697 813432019 /nfs/dbraw/zinc/43/20/19/813432019.db2.gz PJFQKMLPSVOYRU-GDBMZVCRSA-N 2 1 290.451 3.378 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001207282325 813534220 /nfs/dbraw/zinc/53/42/20/813534220.db2.gz HYXDFLKOCVCPDO-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccccc1O[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207283208 813534806 /nfs/dbraw/zinc/53/48/06/813534806.db2.gz VRXKKBLFRFZUNU-INIZCTEOSA-N 2 1 290.451 3.036 20 0 CGADMP Cc1ccccc1O[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207283208 813534813 /nfs/dbraw/zinc/53/48/13/813534813.db2.gz VRXKKBLFRFZUNU-INIZCTEOSA-N 2 1 290.451 3.036 20 0 CGADMP COc1ccc2c(c1)C[N@@H+](CC(C)(C)C[NH+](C)C)CCC2 ZINC001207284986 813535461 /nfs/dbraw/zinc/53/54/61/813535461.db2.gz WZSWOPOJSDKNBU-UHFFFAOYSA-N 2 1 290.451 3.031 20 0 CGADMP COc1ccc2c(c1)C[N@H+](CC(C)(C)C[NH+](C)C)CCC2 ZINC001207284986 813535468 /nfs/dbraw/zinc/53/54/68/813535468.db2.gz WZSWOPOJSDKNBU-UHFFFAOYSA-N 2 1 290.451 3.031 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC001207287148 813536272 /nfs/dbraw/zinc/53/62/72/813536272.db2.gz YGEKZEHCQJNCBA-CYBMUJFWSA-N 2 1 266.454 3.473 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001207479425 813572748 /nfs/dbraw/zinc/57/27/48/813572748.db2.gz IPAMHUYQKRZRBS-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207626484 813618267 /nfs/dbraw/zinc/61/82/67/813618267.db2.gz GOGBADQCLDZQPF-RCCFBDPRSA-N 2 1 276.468 3.251 20 0 CGADMP COc1ccc(C[N@H+](C)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208184704 813734742 /nfs/dbraw/zinc/73/47/42/813734742.db2.gz FCAXPLJMDSTHOZ-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP COc1ccc(C[N@@H+](C)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208184704 813734748 /nfs/dbraw/zinc/73/47/48/813734748.db2.gz FCAXPLJMDSTHOZ-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CC[N@H+](Cc1ccc(OC)cc1)CC1CC[NH+](CC)CC1 ZINC001208599733 813771463 /nfs/dbraw/zinc/77/14/63/813771463.db2.gz AMDHTMHKPZKPLM-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001208612681 813772397 /nfs/dbraw/zinc/77/23/97/813772397.db2.gz NAHJQOAORAAEQN-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001208612681 813772400 /nfs/dbraw/zinc/77/24/00/813772400.db2.gz NAHJQOAORAAEQN-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001208612681 813772404 /nfs/dbraw/zinc/77/24/04/813772404.db2.gz NAHJQOAORAAEQN-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP COc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612714 813772965 /nfs/dbraw/zinc/77/29/65/813772965.db2.gz NIRREEZOKIXFTB-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612714 813772968 /nfs/dbraw/zinc/77/29/68/813772968.db2.gz NIRREEZOKIXFTB-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208612714 813772973 /nfs/dbraw/zinc/77/29/73/813772973.db2.gz NIRREEZOKIXFTB-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612714 813772979 /nfs/dbraw/zinc/77/29/79/813772979.db2.gz NIRREEZOKIXFTB-CABCVRRESA-N 2 1 276.424 3.030 20 0 CGADMP FC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931411 813902926 /nfs/dbraw/zinc/90/29/26/813902926.db2.gz JJIBSHKBOWSKEC-QGZVFWFLSA-N 2 1 290.426 3.333 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931505 813903964 /nfs/dbraw/zinc/90/39/64/813903964.db2.gz KTTFNMRSQTUMDA-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931505 813903969 /nfs/dbraw/zinc/90/39/69/813903969.db2.gz KTTFNMRSQTUMDA-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931505 813903971 /nfs/dbraw/zinc/90/39/71/813903971.db2.gz KTTFNMRSQTUMDA-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP FC1CC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209449350 814046891 /nfs/dbraw/zinc/04/68/91/814046891.db2.gz GTQAYJODHYRIOQ-UHFFFAOYSA-N 2 1 268.420 3.077 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1cccc(F)c1 ZINC001209453178 814047829 /nfs/dbraw/zinc/04/78/29/814047829.db2.gz ZMPOGMOTRVMNHF-UHFFFAOYSA-N 2 1 278.415 3.176 20 0 CGADMP Nc1[nH]c2cc(C3=CC[C@H]([NH+]4CCCC4)CC3)ccc2[nH+]1 ZINC001242691158 823101300 /nfs/dbraw/zinc/10/13/00/823101300.db2.gz BCJQQWUGTZTXLG-AWEZNQCLSA-N 2 1 282.391 3.177 20 0 CGADMP c1cc2cc(Nc3cc[nH+]c4c3CCC4)ccc2c[nH+]1 ZINC001210046521 814263301 /nfs/dbraw/zinc/26/33/01/814263301.db2.gz ZRCYHTKNJLFGFN-UHFFFAOYSA-N 2 1 261.328 3.284 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001210561912 814527957 /nfs/dbraw/zinc/52/79/57/814527957.db2.gz XSWCSJWGPJHZMT-XEZPLFJOSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@H]1C[N@H+](C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)Cc2ccccc21 ZINC001210561912 814527960 /nfs/dbraw/zinc/52/79/60/814527960.db2.gz XSWCSJWGPJHZMT-XEZPLFJOSA-N 2 1 294.389 3.097 20 0 CGADMP CCc1ccc(C)[nH+]c1Nc1ccc(C[NH2+]C)cc1 ZINC001211127697 814753884 /nfs/dbraw/zinc/75/38/84/814753884.db2.gz VARRNLLMRAYLBP-UHFFFAOYSA-N 2 1 255.365 3.415 20 0 CGADMP C[NH2+]Cc1ccc(Nc2cccc3[nH+]cn(C)c32)cc1 ZINC001211131901 814758209 /nfs/dbraw/zinc/75/82/09/814758209.db2.gz WHBBHAAKTGQTCN-UHFFFAOYSA-N 2 1 266.348 3.036 20 0 CGADMP C[NH2+]Cc1cccc(Nc2cccc3[nH+]cn(C)c32)c1 ZINC001211140701 814837364 /nfs/dbraw/zinc/83/73/64/814837364.db2.gz MGWBLEOCGQYJMN-UHFFFAOYSA-N 2 1 266.348 3.036 20 0 CGADMP [NH3+]CCCCCCCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001217766638 815957579 /nfs/dbraw/zinc/95/75/79/815957579.db2.gz WZEBKXVFJMGENN-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP Clc1cccc(CCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222140946 816357246 /nfs/dbraw/zinc/35/72/46/816357246.db2.gz AHRWLCDPGSUSNT-QGZVFWFLSA-N 2 1 292.854 3.348 20 0 CGADMP CCCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148156 816359335 /nfs/dbraw/zinc/35/93/35/816359335.db2.gz MDECNOYQWMLAFL-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148156 816359341 /nfs/dbraw/zinc/35/93/41/816359341.db2.gz MDECNOYQWMLAFL-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222161374 816365710 /nfs/dbraw/zinc/36/57/10/816365710.db2.gz MYAMDSBNRCPYKX-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222167302 816367867 /nfs/dbraw/zinc/36/78/67/816367867.db2.gz KEZCAUQZIQPCCT-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222167302 816367877 /nfs/dbraw/zinc/36/78/77/816367877.db2.gz KEZCAUQZIQPCCT-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc21 ZINC001222265361 816390169 /nfs/dbraw/zinc/39/01/69/816390169.db2.gz RXNPYWACAZMEKX-LJQANCHMSA-N 2 1 297.446 3.144 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222278034 816393652 /nfs/dbraw/zinc/39/36/52/816393652.db2.gz WFURUKWGRMPOIT-PVAVHDDUSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222278034 816393659 /nfs/dbraw/zinc/39/36/59/816393659.db2.gz WFURUKWGRMPOIT-PVAVHDDUSA-N 2 1 290.838 3.271 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)c1)CCC2 ZINC001222320132 816408471 /nfs/dbraw/zinc/40/84/71/816408471.db2.gz AQAPKSBOWHKAOA-IBGZPJMESA-N 2 1 284.447 3.283 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@]13CCC[NH2+]CC3)NCCC2 ZINC001222321187 816409021 /nfs/dbraw/zinc/40/90/21/816409021.db2.gz RIQIJKDHDSOWDF-IBGZPJMESA-N 2 1 299.462 3.153 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335587 816410769 /nfs/dbraw/zinc/41/07/69/816410769.db2.gz WJKUAQXDWWYPNB-UHFFFAOYSA-N 2 1 288.479 3.278 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401159 816433958 /nfs/dbraw/zinc/43/39/58/816433958.db2.gz SIFWSISFFREIRC-QGZVFWFLSA-N 2 1 294.483 3.071 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422676 816441253 /nfs/dbraw/zinc/44/12/53/816441253.db2.gz WWYODFSWCALNOH-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422676 816441258 /nfs/dbraw/zinc/44/12/58/816441258.db2.gz WWYODFSWCALNOH-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620698 816480893 /nfs/dbraw/zinc/48/08/93/816480893.db2.gz XVNBZHZNYYOTEQ-MAUKXSAKSA-N 2 1 296.414 3.032 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C1CC1 ZINC001222629989 816484151 /nfs/dbraw/zinc/48/41/51/816484151.db2.gz UWSZEOMPOOXTHF-IYBDPMFKSA-N 2 1 288.410 3.135 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC001231781040 818172825 /nfs/dbraw/zinc/17/28/25/818172825.db2.gz BGCGPBULVJMFKX-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC001231781040 818172829 /nfs/dbraw/zinc/17/28/29/818172829.db2.gz BGCGPBULVJMFKX-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC001231781040 818172833 /nfs/dbraw/zinc/17/28/33/818172833.db2.gz BGCGPBULVJMFKX-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP FC(F)[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014876 818232239 /nfs/dbraw/zinc/23/22/39/818232239.db2.gz WBJOOXMJMDLBDS-JTQLQIEISA-N 2 1 265.307 3.040 20 0 CGADMP Cc1cccc2c1C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232011008 818232323 /nfs/dbraw/zinc/23/23/23/818232323.db2.gz FZHLRGJZCSETAQ-UHFFFAOYSA-N 2 1 263.344 3.387 20 0 CGADMP Cc1cccc2c1C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232011008 818232327 /nfs/dbraw/zinc/23/23/27/818232327.db2.gz FZHLRGJZCSETAQ-UHFFFAOYSA-N 2 1 263.344 3.387 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001232011423 818233613 /nfs/dbraw/zinc/23/36/13/818233613.db2.gz KEZXFDZOKNJRPZ-QGZVFWFLSA-N 2 1 278.359 3.295 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC001232146035 818264911 /nfs/dbraw/zinc/26/49/11/818264911.db2.gz GVNAWLRLERVFTL-CYBMUJFWSA-N 2 1 282.378 3.069 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(CF)n2)CC1 ZINC001232536474 818381552 /nfs/dbraw/zinc/38/15/52/818381552.db2.gz FPIYEYBHAPGPRX-UHFFFAOYSA-N 2 1 293.430 3.103 20 0 CGADMP C[N@H+](Cc1ccccc1-n1cccc1)CC1CC[NH+](C)CC1 ZINC001232910018 818471488 /nfs/dbraw/zinc/47/14/88/818471488.db2.gz LLEMYDOTLSMZGF-UHFFFAOYSA-N 2 1 297.446 3.251 20 0 CGADMP CSc1cccc(Cl)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001233352488 818594160 /nfs/dbraw/zinc/59/41/60/818594160.db2.gz HCXPLXDCAHYPFW-TXEJJXNPSA-N 2 1 296.867 3.055 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234980114 818969247 /nfs/dbraw/zinc/96/92/47/818969247.db2.gz UTZCZLXIGGKFFF-OKILXGFUSA-N 2 1 297.446 3.117 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991397 818970767 /nfs/dbraw/zinc/97/07/67/818970767.db2.gz FIXBSVOBQBISKQ-LJQANCHMSA-N 2 1 297.446 3.237 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c[nH]c21 ZINC001234993478 818972453 /nfs/dbraw/zinc/97/24/53/818972453.db2.gz PTQPGLFKCALWCX-IBGZPJMESA-N 2 1 297.446 3.306 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2cccccc1-2 ZINC001235002057 818973715 /nfs/dbraw/zinc/97/37/15/818973715.db2.gz WZBGGMVUTFVXIW-IBGZPJMESA-N 2 1 280.415 3.367 20 0 CGADMP CC/C=C\CCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007940 818978431 /nfs/dbraw/zinc/97/84/31/818978431.db2.gz SOABEZKCLXCDCC-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007940 818978437 /nfs/dbraw/zinc/97/84/37/818978437.db2.gz SOABEZKCLXCDCC-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1(C)C ZINC001235018732 818980572 /nfs/dbraw/zinc/98/05/72/818980572.db2.gz UVQLUWGIOOAMKL-ARFHVFGLSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1(C)C ZINC001235018732 818980577 /nfs/dbraw/zinc/98/05/77/818980577.db2.gz UVQLUWGIOOAMKL-ARFHVFGLSA-N 2 1 262.441 3.053 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025147 818981233 /nfs/dbraw/zinc/98/12/33/818981233.db2.gz WXTOWSWQVFLILM-UHFFFAOYSA-N 2 1 278.399 3.149 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031806 818984015 /nfs/dbraw/zinc/98/40/15/818984015.db2.gz OSDUZXYTMDFNPW-AEFFLSMTSA-N 2 1 296.499 3.293 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235041410 818987808 /nfs/dbraw/zinc/98/78/08/818987808.db2.gz PYKUEHLOMRPXMK-GOSISDBHSA-N 2 1 288.435 3.193 20 0 CGADMP Clc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042271 818988656 /nfs/dbraw/zinc/98/86/56/818988656.db2.gz XKEWTGQSQAWRFR-INIZCTEOSA-N 2 1 278.827 3.448 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042271 818988662 /nfs/dbraw/zinc/98/86/62/818988662.db2.gz XKEWTGQSQAWRFR-INIZCTEOSA-N 2 1 278.827 3.448 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)NCCC2 ZINC001235041057 818988727 /nfs/dbraw/zinc/98/87/27/818988727.db2.gz XFKJSZUVELJJSK-LJQANCHMSA-N 2 1 299.462 3.153 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235042996 818990101 /nfs/dbraw/zinc/99/01/01/818990101.db2.gz DWFSVKNQMYUGKZ-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091781 818998801 /nfs/dbraw/zinc/99/88/01/818998801.db2.gz BXPSXGFLVQLEQX-INIZCTEOSA-N 2 1 264.457 3.444 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112163 819006637 /nfs/dbraw/zinc/00/66/37/819006637.db2.gz XKOJXAKDZXQEAU-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP c1ccc(CCCCC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235112222 819007638 /nfs/dbraw/zinc/00/76/38/819007638.db2.gz YZLDAAZPVWWJGQ-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCCC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235112222 819007641 /nfs/dbraw/zinc/00/76/41/819007641.db2.gz YZLDAAZPVWWJGQ-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235144125 819015714 /nfs/dbraw/zinc/01/57/14/819015714.db2.gz KKXUTHSNHYMPDZ-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235144125 819015718 /nfs/dbraw/zinc/01/57/18/819015718.db2.gz KKXUTHSNHYMPDZ-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235150785 819017278 /nfs/dbraw/zinc/01/72/78/819017278.db2.gz AJQPXQDJMWJOIO-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP c1csc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235152588 819018051 /nfs/dbraw/zinc/01/80/51/819018051.db2.gz ONLMETLTYYMVGS-INIZCTEOSA-N 2 1 278.465 3.145 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151610 819018583 /nfs/dbraw/zinc/01/85/83/819018583.db2.gz IGQKDTFMTJEVLN-HPBDAGMYSA-N 2 1 274.452 3.053 20 0 CGADMP Cn1ccc2cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)ccc21 ZINC001235167146 819021630 /nfs/dbraw/zinc/02/16/30/819021630.db2.gz GKMANFUJHRGLFI-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)ccc21 ZINC001235167146 819021632 /nfs/dbraw/zinc/02/16/32/819021632.db2.gz GKMANFUJHRGLFI-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP Clc1ccc(CC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235172352 819024230 /nfs/dbraw/zinc/02/42/30/819024230.db2.gz MAIVPVBRSRPBEF-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1ccc(CC[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235172352 819024237 /nfs/dbraw/zinc/02/42/37/819024237.db2.gz MAIVPVBRSRPBEF-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCCC34CC[NH2+]CC4)c1)CCC2 ZINC001235191111 819032110 /nfs/dbraw/zinc/03/21/10/819032110.db2.gz MCMSPXKTMGSFCT-UHFFFAOYSA-N 2 1 284.447 3.283 20 0 CGADMP CCCCCCc1csc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001235208966 819036781 /nfs/dbraw/zinc/03/67/81/819036781.db2.gz CZIPBCJHVMYACC-ZSHCYNCHSA-N 2 1 278.465 3.260 20 0 CGADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001235225321 819040410 /nfs/dbraw/zinc/04/04/10/819040410.db2.gz SLKGFMVTRUVFHB-KBPBESRZSA-N 2 1 290.373 3.041 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCC1CCCCC1)C2 ZINC001235241040 819045105 /nfs/dbraw/zinc/04/51/05/819045105.db2.gz QECNRHVMSCWDIU-HZPDHXFCSA-N 2 1 250.430 3.160 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235246363 819046023 /nfs/dbraw/zinc/04/60/23/819046023.db2.gz LGYNMURGBRJGQO-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235246363 819046032 /nfs/dbraw/zinc/04/60/32/819046032.db2.gz LGYNMURGBRJGQO-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001235253199 819049424 /nfs/dbraw/zinc/04/94/24/819049424.db2.gz CILZVDAIWTXDCS-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP Fc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235262450 819055142 /nfs/dbraw/zinc/05/51/42/819055142.db2.gz REDQSTXPPCMNJW-PKOBYXMFSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235262450 819055145 /nfs/dbraw/zinc/05/51/45/819055145.db2.gz REDQSTXPPCMNJW-PKOBYXMFSA-N 2 1 296.389 3.286 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235263821 819058266 /nfs/dbraw/zinc/05/82/66/819058266.db2.gz VIGXBDQYIBHUGY-DYVFJYSZSA-N 2 1 297.446 3.259 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235263821 819058272 /nfs/dbraw/zinc/05/82/72/819058272.db2.gz VIGXBDQYIBHUGY-DYVFJYSZSA-N 2 1 297.446 3.259 20 0 CGADMP CCCCCCOc1ccccc1C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235286396 819061684 /nfs/dbraw/zinc/06/16/84/819061684.db2.gz ZWWYELIBRPZGHZ-ALXJQNPVSA-N 2 1 288.435 3.035 20 0 CGADMP CCCCCCOc1ccccc1C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235286396 819061690 /nfs/dbraw/zinc/06/16/90/819061690.db2.gz ZWWYELIBRPZGHZ-ALXJQNPVSA-N 2 1 288.435 3.035 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(C)c1C ZINC001235340793 819072519 /nfs/dbraw/zinc/07/25/19/819072519.db2.gz MGYZXDLFKAUGOY-KRWDZBQOSA-N 2 1 286.463 3.270 20 0 CGADMP Cc1cc(Cl)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235342109 819072718 /nfs/dbraw/zinc/07/27/18/819072718.db2.gz SSDAYRURPFJOQP-LLVKDONJSA-N 2 1 299.245 3.343 20 0 CGADMP c1coc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235363274 819079196 /nfs/dbraw/zinc/07/91/96/819079196.db2.gz IXJANSDACSCJOL-MJGOQNOKSA-N 2 1 296.414 3.033 20 0 CGADMP c1coc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235363274 819079203 /nfs/dbraw/zinc/07/92/03/819079203.db2.gz IXJANSDACSCJOL-MJGOQNOKSA-N 2 1 296.414 3.033 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400628 819084660 /nfs/dbraw/zinc/08/46/60/819084660.db2.gz DPXLEVSKIXVAKI-ZWKOTPCHSA-N 2 1 290.426 3.334 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)C1(C)C ZINC001235409794 819088655 /nfs/dbraw/zinc/08/86/55/819088655.db2.gz WVWFZRDEKSKDJR-SOLBZPMBSA-N 2 1 294.458 3.392 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235423485 819092363 /nfs/dbraw/zinc/09/23/63/819092363.db2.gz GUGQUFJXRMVHNW-CVEARBPZSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426716 819092394 /nfs/dbraw/zinc/09/23/94/819092394.db2.gz QQBNCYIPFSHPBR-HOTGVXAUSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235424813 819093046 /nfs/dbraw/zinc/09/30/46/819093046.db2.gz JXOXMZNOFVOUFL-LSDHHAIUSA-N 2 1 278.465 3.268 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2cccs2)cc1 ZINC001235435730 819099475 /nfs/dbraw/zinc/09/94/75/819099475.db2.gz WYSSHZYJFHGQGB-UHFFFAOYSA-N 2 1 260.406 3.196 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235672304 819133733 /nfs/dbraw/zinc/13/37/33/819133733.db2.gz ALYLHKYLZGTGEV-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP [NH3+]CCCC[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001235676623 819136902 /nfs/dbraw/zinc/13/69/02/819136902.db2.gz CBCUCAQFPZRFIB-HNNXBMFYSA-N 2 1 250.361 3.092 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001235677338 819138356 /nfs/dbraw/zinc/13/83/56/819138356.db2.gz CHTMEZMBVBIELI-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001235677998 819138551 /nfs/dbraw/zinc/13/85/51/819138551.db2.gz KMUMYUZABXLBSH-MRXNPFEDSA-N 2 1 264.388 3.482 20 0 CGADMP c1csc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001235680684 819140489 /nfs/dbraw/zinc/14/04/89/819140489.db2.gz WBVQWNNPTVKPIF-KGLIPLIRSA-N 2 1 264.438 3.417 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)[C@H]1C ZINC001235695653 819145780 /nfs/dbraw/zinc/14/57/80/819145780.db2.gz YHKVUQWOXFISGF-NEPJUHHUSA-N 2 1 264.438 3.014 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)CC1(C)CCCCC1 ZINC001235713842 819148364 /nfs/dbraw/zinc/14/83/64/819148364.db2.gz HRPPEQBCKSMEOQ-UHFFFAOYSA-N 2 1 252.446 3.278 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235715234 819150005 /nfs/dbraw/zinc/15/00/05/819150005.db2.gz OAHPWHRHUMQDJX-WOJBJXKFSA-N 2 1 294.442 3.121 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235715234 819150009 /nfs/dbraw/zinc/15/00/09/819150009.db2.gz OAHPWHRHUMQDJX-WOJBJXKFSA-N 2 1 294.442 3.121 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001235715429 819150135 /nfs/dbraw/zinc/15/01/35/819150135.db2.gz SFAHKBNKGGLVTI-LJQANCHMSA-N 2 1 280.415 3.210 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+](C)CCC3CC[NH2+]CC3)cc2c1 ZINC001235717710 819151683 /nfs/dbraw/zinc/15/16/83/819151683.db2.gz ZOKNKVUSNVDAGW-UHFFFAOYSA-N 2 1 285.435 3.298 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235724178 819153872 /nfs/dbraw/zinc/15/38/72/819153872.db2.gz CWOGDJFIZFMNSM-GJZGRUSLSA-N 2 1 276.399 3.147 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)c(C)c1Cl ZINC001235752328 819162068 /nfs/dbraw/zinc/16/20/68/819162068.db2.gz MAMSTLSMNBBXOG-UHFFFAOYSA-N 2 1 266.816 3.270 20 0 CGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cccc(Cl)c12 ZINC001235778737 819167660 /nfs/dbraw/zinc/16/76/60/819167660.db2.gz PVZGZRCIDVQFIG-YHWZYXNKSA-N 2 1 289.810 3.275 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235808703 819172329 /nfs/dbraw/zinc/17/23/29/819172329.db2.gz DKLJTRDPRAPIHN-NATGHXJUSA-N 2 1 250.430 3.467 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841928 819183302 /nfs/dbraw/zinc/18/33/02/819183302.db2.gz KAPADJWTVSDPBH-LLVKDONJSA-N 2 1 287.234 3.343 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841928 819183307 /nfs/dbraw/zinc/18/33/07/819183307.db2.gz KAPADJWTVSDPBH-LLVKDONJSA-N 2 1 287.234 3.343 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235843204 819185502 /nfs/dbraw/zinc/18/55/02/819185502.db2.gz XPOHMOVJVUQSCU-HNNXBMFYSA-N 2 1 268.404 3.190 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001235893965 819203359 /nfs/dbraw/zinc/20/33/59/819203359.db2.gz YVIYXPJOXOAYSC-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCCc1cccc(Cl)c1 ZINC001235893965 819203365 /nfs/dbraw/zinc/20/33/65/819203365.db2.gz YVIYXPJOXOAYSC-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925191 819223716 /nfs/dbraw/zinc/22/37/16/819223716.db2.gz DOMAKSGKYGIPCF-AWEZNQCLSA-N 2 1 264.438 3.112 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001235925542 819224212 /nfs/dbraw/zinc/22/42/12/819224212.db2.gz UGEFVHVOKMJQMY-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925717 819224432 /nfs/dbraw/zinc/22/44/32/819224432.db2.gz YCBSZVGBKAVYQL-INIZCTEOSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925925 819224746 /nfs/dbraw/zinc/22/47/46/819224746.db2.gz SCTIVTNVVSNOTI-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925925 819224752 /nfs/dbraw/zinc/22/47/52/819224752.db2.gz SCTIVTNVVSNOTI-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])s1 ZINC001235925724 819224797 /nfs/dbraw/zinc/22/47/97/819224797.db2.gz YISXBWXPILLVRC-LBPRGKRZSA-N 2 1 252.427 3.014 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925269 819225401 /nfs/dbraw/zinc/22/54/01/819225401.db2.gz OMWNHXUNVJFYDV-INIZCTEOSA-N 2 1 298.471 3.093 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235935283 819231456 /nfs/dbraw/zinc/23/14/56/819231456.db2.gz DGNILZJHOFKNMX-JSGCOSHPSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235935283 819231461 /nfs/dbraw/zinc/23/14/61/819231461.db2.gz DGNILZJHOFKNMX-JSGCOSHPSA-N 2 1 298.352 3.055 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)cc1 ZINC001235938878 819231942 /nfs/dbraw/zinc/23/19/42/819231942.db2.gz MECHKJLAKXMLLQ-VQTJNVASSA-N 2 1 292.426 3.395 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)s1 ZINC001235937062 819233018 /nfs/dbraw/zinc/23/30/18/819233018.db2.gz HVXHFOWIRCNODA-KBPBESRZSA-N 2 1 278.465 3.132 20 0 CGADMP Clc1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235939479 819233624 /nfs/dbraw/zinc/23/36/24/819233624.db2.gz DTJKRXDAYBWESL-CYBMUJFWSA-N 2 1 278.827 3.088 20 0 CGADMP CC[C@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235949922 819239984 /nfs/dbraw/zinc/23/99/84/819239984.db2.gz XOKAGNGTPDLLFN-HNNXBMFYSA-N 2 1 297.446 3.367 20 0 CGADMP CCc1ccc(C[N@H+](C)C[C@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235959355 819247423 /nfs/dbraw/zinc/24/74/23/819247423.db2.gz HYUIEBXWAFKVSD-CJNGLKHVSA-N 2 1 296.405 3.172 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@H]2[C@H](C)C[NH2+]CC2(F)F)cc1 ZINC001235959355 819247428 /nfs/dbraw/zinc/24/74/28/819247428.db2.gz HYUIEBXWAFKVSD-CJNGLKHVSA-N 2 1 296.405 3.172 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC2(C)CC[NH2+]CC2)cc1 ZINC001235960675 819249529 /nfs/dbraw/zinc/24/95/29/819249529.db2.gz WUXUQEFMJVEZOK-UHFFFAOYSA-N 2 1 260.425 3.071 20 0 CGADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1cccc(OC)c1 ZINC001235962712 819251737 /nfs/dbraw/zinc/25/17/37/819251737.db2.gz PNVHHKRJLOIOHQ-UHFFFAOYSA-N 2 1 296.414 3.321 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235977616 819256739 /nfs/dbraw/zinc/25/67/39/819256739.db2.gz GZJVVBSAYPFWIE-BLLLJJGKSA-N 2 1 272.417 3.133 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235977616 819256742 /nfs/dbraw/zinc/25/67/42/819256742.db2.gz GZJVVBSAYPFWIE-BLLLJJGKSA-N 2 1 272.417 3.133 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235977626 819257341 /nfs/dbraw/zinc/25/73/41/819257341.db2.gz GZJVVBSAYPFWIE-MLGOLLRUSA-N 2 1 272.417 3.133 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235977626 819257348 /nfs/dbraw/zinc/25/73/48/819257348.db2.gz GZJVVBSAYPFWIE-MLGOLLRUSA-N 2 1 272.417 3.133 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235985636 819261002 /nfs/dbraw/zinc/26/10/02/819261002.db2.gz BRHOXBVHLAEFLZ-WBMJQRKESA-N 2 1 272.417 3.133 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235985636 819261007 /nfs/dbraw/zinc/26/10/07/819261007.db2.gz BRHOXBVHLAEFLZ-WBMJQRKESA-N 2 1 272.417 3.133 20 0 CGADMP CC[N@H+](Cc1ccc(O)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236005682 819270851 /nfs/dbraw/zinc/27/08/51/819270851.db2.gz LWKVHKXUGDVOKX-OAHLLOKOSA-N 2 1 284.403 3.119 20 0 CGADMP CC[N@@H+](Cc1ccc(O)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236005682 819270852 /nfs/dbraw/zinc/27/08/52/819270852.db2.gz LWKVHKXUGDVOKX-OAHLLOKOSA-N 2 1 284.403 3.119 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236040981 819281060 /nfs/dbraw/zinc/28/10/60/819281060.db2.gz CNVGXQACPDIBGZ-UHFFFAOYSA-N 2 1 298.405 3.494 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c2ccccc12 ZINC001236051323 819287315 /nfs/dbraw/zinc/28/73/15/819287315.db2.gz VXQGTOOKLNMGMK-CZUORRHYSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c2ccccc12 ZINC001236051323 819287319 /nfs/dbraw/zinc/28/73/19/819287319.db2.gz VXQGTOOKLNMGMK-CZUORRHYSA-N 2 1 268.404 3.317 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001236070217 819299167 /nfs/dbraw/zinc/29/91/67/819299167.db2.gz KIFOMMOWNXETQW-CWRNSKLLSA-N 2 1 294.389 3.314 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001236070217 819299169 /nfs/dbraw/zinc/29/91/69/819299169.db2.gz KIFOMMOWNXETQW-CWRNSKLLSA-N 2 1 294.389 3.314 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1cccc2ccccc21 ZINC001236092954 819310585 /nfs/dbraw/zinc/31/05/85/819310585.db2.gz BPRFISUJIJPENO-LBTNJELSSA-N 2 1 268.404 3.222 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1ccc(Cc2ccccc2)cc1 ZINC001236142649 819344300 /nfs/dbraw/zinc/34/43/00/819344300.db2.gz ZGUHAOWVKQSUKS-UHFFFAOYSA-N 2 1 282.431 3.448 20 0 CGADMP CCC[N@@H+](Cc1c(C)cc(F)cc1C)C1CC[NH2+]CC1 ZINC001236184375 819359851 /nfs/dbraw/zinc/35/98/51/819359851.db2.gz JYMNAYYPRCZYDY-UHFFFAOYSA-N 2 1 278.415 3.407 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001236190715 819362933 /nfs/dbraw/zinc/36/29/33/819362933.db2.gz WRDYWLRNGPVSMT-CABCVRRESA-N 2 1 268.404 3.442 20 0 CGADMP C[N@H+](Cc1cccc2ccoc21)[C@]1(C)CCC[NH2+]C1 ZINC001236205579 819367633 /nfs/dbraw/zinc/36/76/33/819367633.db2.gz HSLVAVZTQSKXCR-MRXNPFEDSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@@H+](Cc1cccc2ccoc21)[C@]1(C)CCC[NH2+]C1 ZINC001236205579 819367636 /nfs/dbraw/zinc/36/76/36/819367636.db2.gz HSLVAVZTQSKXCR-MRXNPFEDSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@@H+](Cc1ccc(O)c2ccccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213139 819376888 /nfs/dbraw/zinc/37/68/88/819376888.db2.gz NQFQLPBRUICISF-SJORKVTESA-N 2 1 284.403 3.247 20 0 CGADMP CCOc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1C ZINC001236215422 819377986 /nfs/dbraw/zinc/37/79/86/819377986.db2.gz HYDQQUCZFAXBSY-CVEARBPZSA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1C ZINC001236215422 819377994 /nfs/dbraw/zinc/37/79/94/819377994.db2.gz HYDQQUCZFAXBSY-CVEARBPZSA-N 2 1 276.424 3.095 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)s1 ZINC001236215354 819378691 /nfs/dbraw/zinc/37/86/91/819378691.db2.gz HDZINGQSAXLHBQ-KGLIPLIRSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)s1 ZINC001236215354 819378695 /nfs/dbraw/zinc/37/86/95/819378695.db2.gz HDZINGQSAXLHBQ-KGLIPLIRSA-N 2 1 252.427 3.067 20 0 CGADMP C[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216393 819379871 /nfs/dbraw/zinc/37/98/71/819379871.db2.gz KAXBGBSOUBHBBE-IAGOWNOFSA-N 2 1 258.409 3.266 20 0 CGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216393 819379874 /nfs/dbraw/zinc/37/98/74/819379874.db2.gz KAXBGBSOUBHBBE-IAGOWNOFSA-N 2 1 258.409 3.266 20 0 CGADMP C[N@H+](Cc1ccc(F)c(C2CC2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217066 819381889 /nfs/dbraw/zinc/38/18/89/819381889.db2.gz NIWYXBQCLJFAIH-IAGOWNOFSA-N 2 1 276.399 3.405 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(C2CC2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217066 819381892 /nfs/dbraw/zinc/38/18/92/819381892.db2.gz NIWYXBQCLJFAIH-IAGOWNOFSA-N 2 1 276.399 3.405 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236218784 819383890 /nfs/dbraw/zinc/38/38/90/819383890.db2.gz UCKFJOVGZGIALC-DLBZAZTESA-N 2 1 276.424 3.176 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236218784 819383891 /nfs/dbraw/zinc/38/38/91/819383891.db2.gz UCKFJOVGZGIALC-DLBZAZTESA-N 2 1 276.424 3.176 20 0 CGADMP C[N@H+](Cc1cccc2c1CCCC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218795 819384870 /nfs/dbraw/zinc/38/48/70/819384870.db2.gz UCKVUILERKUHPO-ZWKOTPCHSA-N 2 1 272.436 3.267 20 0 CGADMP C[N@@H+](Cc1cccc2c1CCCC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218795 819384876 /nfs/dbraw/zinc/38/48/76/819384876.db2.gz UCKVUILERKUHPO-ZWKOTPCHSA-N 2 1 272.436 3.267 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236224877 819390741 /nfs/dbraw/zinc/39/07/41/819390741.db2.gz YBCJJONRIKSEBN-FZKCQIBNSA-N 2 1 250.430 3.181 20 0 CGADMP CCC[N@H+](Cc1cc2c(s1)C[NH2+]CC2)CC(C)C ZINC001236263006 819410442 /nfs/dbraw/zinc/41/04/42/819410442.db2.gz ANULIZYBTHTEBH-UHFFFAOYSA-N 2 1 266.454 3.262 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001236306635 819417208 /nfs/dbraw/zinc/41/72/08/819417208.db2.gz AYJUGCGOKAXWLF-IAGOWNOFSA-N 2 1 276.468 3.278 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCCC3(CCC3)C1)CC[NH2+]C2 ZINC001236322556 819424206 /nfs/dbraw/zinc/42/42/06/819424206.db2.gz OHFDAHMJSPPYSH-UHFFFAOYSA-N 2 1 270.420 3.098 20 0 CGADMP Fc1ccc(C[N@@H+](CC2CCC2)CC2CC[NH2+]CC2)cc1 ZINC001236381923 819444041 /nfs/dbraw/zinc/44/40/41/819444041.db2.gz OEJUVPHWGRBCBB-UHFFFAOYSA-N 2 1 290.426 3.427 20 0 CGADMP CC[N@@H+](CCc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407159 819454292 /nfs/dbraw/zinc/45/42/92/819454292.db2.gz CHAICFHBNPUKQL-KRWDZBQOSA-N 2 1 274.452 3.284 20 0 CGADMP CC[N@@H+](CCCc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407514 819455077 /nfs/dbraw/zinc/45/50/77/819455077.db2.gz FFHWHQZXMSRTFY-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP CC[N@H+](Cc1cc(C)cc(SC)c1)C[C@H]1CC[NH2+]C1 ZINC001236410237 819457837 /nfs/dbraw/zinc/45/78/37/819457837.db2.gz GRCXAEPPFSOFDA-AWEZNQCLSA-N 2 1 278.465 3.148 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236417628 819463623 /nfs/dbraw/zinc/46/36/23/819463623.db2.gz CKFKHXJAZLHFHH-KDOFPFPSSA-N 2 1 268.404 3.460 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236421380 819468297 /nfs/dbraw/zinc/46/82/97/819468297.db2.gz QMNSQPOEPSYIEZ-AUUYWEPGSA-N 2 1 297.446 3.217 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236421380 819468302 /nfs/dbraw/zinc/46/83/02/819468302.db2.gz QMNSQPOEPSYIEZ-AUUYWEPGSA-N 2 1 297.446 3.217 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CCC2C[NH2+]C2)c1 ZINC001236429418 819474492 /nfs/dbraw/zinc/47/44/92/819474492.db2.gz UYVPLKULLQLMNR-KRWDZBQOSA-N 2 1 258.409 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](CC(C)C)C1CC[NH2+]CC1 ZINC001236508790 819507899 /nfs/dbraw/zinc/50/78/99/819507899.db2.gz ANIZAWRHMTXQGQ-UHFFFAOYSA-N 2 1 278.415 3.344 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2CCCCO2)C2CCCCC2)CC1 ZINC001236565250 819538180 /nfs/dbraw/zinc/53/81/80/819538180.db2.gz AZCSFGBPIXDAQO-SZMVWBNQSA-N 2 1 294.483 3.460 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCCC[NH2+]2)C2CCCC2)CC1 ZINC001236566989 819538304 /nfs/dbraw/zinc/53/83/04/819538304.db2.gz QGPRUAVWEAGKER-JFIYKMOQSA-N 3 1 293.499 3.033 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc3c2CCN3)C2CCC2)CC1 ZINC001236576533 819541821 /nfs/dbraw/zinc/54/18/21/819541821.db2.gz MMUCVAJBFGDKNZ-JCNLHEQBSA-N 2 1 299.462 3.279 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@](C)(C[NH3+])C2)C1(C)C ZINC001236605860 819550614 /nfs/dbraw/zinc/55/06/14/819550614.db2.gz WBPDUBKWKGEKMY-GOEBONIOSA-N 2 1 250.430 3.040 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC001236818104 819606023 /nfs/dbraw/zinc/60/60/23/819606023.db2.gz GHVXZMJNNBGJLJ-KFKAGJAMSA-N 2 1 280.415 3.317 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1Cl ZINC001236825755 819608517 /nfs/dbraw/zinc/60/85/17/819608517.db2.gz AHUHKYQSRYWFLT-KKUMJFAQSA-N 2 1 278.827 3.126 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236832274 819611160 /nfs/dbraw/zinc/61/11/60/819611160.db2.gz TVSUWVWSXIDGOL-MISXGVKJSA-N 2 1 296.867 3.231 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1C ZINC001236832690 819611284 /nfs/dbraw/zinc/61/12/84/819611284.db2.gz WUQCDZHXJJXPDX-YTQUADARSA-N 2 1 286.463 3.398 20 0 CGADMP CCC[N@H+](Cc1ccc2ccn(CC)c2c1)C[C@H]1CC[NH2+]C1 ZINC001236834314 819613087 /nfs/dbraw/zinc/61/30/87/819613087.db2.gz HDSUOCNNOFAZPE-KRWDZBQOSA-N 2 1 299.462 3.483 20 0 CGADMP CCC[N@H+](Cc1c[nH]c2ccc(C)cc12)C[C@@H]1CC[NH2+]C1 ZINC001236834209 819613750 /nfs/dbraw/zinc/61/37/50/819613750.db2.gz FJVDVCSPDUCGCX-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@H+](Cc1c[nH]c2cc(C)ccc12)C[C@@H]1CC[NH2+]C1 ZINC001236835589 819614730 /nfs/dbraw/zinc/61/47/30/819614730.db2.gz NQWGNCUVKGICAO-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236835969 819615090 /nfs/dbraw/zinc/61/50/90/819615090.db2.gz RIKQSZIVLMWBIJ-OAHLLOKOSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1cc(F)c(C)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236845199 819620498 /nfs/dbraw/zinc/62/04/98/819620498.db2.gz ZREILIODUUSORK-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001237059863 819656699 /nfs/dbraw/zinc/65/66/99/819656699.db2.gz WPFFNBIKFXJJGP-GOSISDBHSA-N 2 1 268.404 3.401 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)s1 ZINC001237057847 819656839 /nfs/dbraw/zinc/65/68/39/819656839.db2.gz NWSFIQYNEUZYMK-OAHLLOKOSA-N 2 1 266.454 3.261 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237075463 819659678 /nfs/dbraw/zinc/65/96/78/819659678.db2.gz DHLGATMEEJJNOV-IBGZPJMESA-N 2 1 296.414 3.073 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001237081994 819661972 /nfs/dbraw/zinc/66/19/72/819661972.db2.gz OKJSPPWGOXRAIV-SFHVURJKSA-N 2 1 272.436 3.126 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381304 819737874 /nfs/dbraw/zinc/73/78/74/819737874.db2.gz ISPRYLIWFXHWNZ-SJLPKXTDSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381304 819737878 /nfs/dbraw/zinc/73/78/78/819737878.db2.gz ISPRYLIWFXHWNZ-SJLPKXTDSA-N 2 1 288.435 3.048 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1OC(C)C ZINC001237716640 819819570 /nfs/dbraw/zinc/81/95/70/819819570.db2.gz KMKFDSHNBDSTTQ-UHFFFAOYSA-N 2 1 278.440 3.166 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1OC(C)C ZINC001237716640 819819581 /nfs/dbraw/zinc/81/95/81/819819581.db2.gz KMKFDSHNBDSTTQ-UHFFFAOYSA-N 2 1 278.440 3.166 20 0 CGADMP Cc1ccc(Cl)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001238568824 820049942 /nfs/dbraw/zinc/04/99/42/820049942.db2.gz JLZKVQKWYNUGPD-INIZCTEOSA-N 2 1 278.827 3.176 20 0 CGADMP C[N@H+]1CCC=C(c2ccc(SC3CC[NH2+]CC3)cc2)C1 ZINC001241571928 821958704 /nfs/dbraw/zinc/95/87/04/821958704.db2.gz LKKYESNGKDUUGH-UHFFFAOYSA-N 2 1 288.460 3.250 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC001242090979 822347317 /nfs/dbraw/zinc/34/73/17/822347317.db2.gz ZNCWRFANMYACNI-HNNXBMFYSA-N 2 1 267.376 3.106 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C12CCCC2 ZINC001341793041 936451369 /nfs/dbraw/zinc/45/13/69/936451369.db2.gz ITVAPFYDAFPEGG-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1F ZINC001342779476 936479279 /nfs/dbraw/zinc/47/92/79/936479279.db2.gz PWYSQZWCADOTCO-WWTUQBGBSA-N 2 1 276.399 3.410 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)n1 ZINC001347146039 936872010 /nfs/dbraw/zinc/87/20/10/936872010.db2.gz VMPRIGTVVHVKKE-UHFFFAOYSA-N 2 1 293.842 3.009 20 0 CGADMP CO[C@@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C1CCCCC1 ZINC001347145580 936872264 /nfs/dbraw/zinc/87/22/64/936872264.db2.gz MPHRMRODIYBPRC-KRWDZBQOSA-N 2 1 294.483 3.047 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001348515944 936924352 /nfs/dbraw/zinc/92/43/52/936924352.db2.gz QWIAKWBVNVKORW-VIFPVBQESA-N 2 1 294.748 3.446 20 0 CGADMP Cc1ccccc1NC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001349910390 936968341 /nfs/dbraw/zinc/96/83/41/936968341.db2.gz CEYFPEDUXKJDOZ-HNNXBMFYSA-N 2 1 288.439 3.052 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC1CC1)C1CC1 ZINC001167841793 927029917 /nfs/dbraw/zinc/02/99/17/927029917.db2.gz QYOQABVNGFINMC-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCC(F)(F)F ZINC001355291702 937132446 /nfs/dbraw/zinc/13/24/46/937132446.db2.gz MPJVFKDZXAWBKV-UHFFFAOYSA-N 2 1 254.340 3.039 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCC(F)(F)F ZINC001355291702 937132449 /nfs/dbraw/zinc/13/24/49/937132449.db2.gz MPJVFKDZXAWBKV-UHFFFAOYSA-N 2 1 254.340 3.039 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001323134276 928518128 /nfs/dbraw/zinc/51/81/28/928518128.db2.gz JDKVSAAYCKKDKM-JKSUJKDBSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001323134276 928518140 /nfs/dbraw/zinc/51/81/40/928518140.db2.gz JDKVSAAYCKKDKM-JKSUJKDBSA-N 2 1 261.413 3.094 20 0 CGADMP CCC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC ZINC001461955902 928769864 /nfs/dbraw/zinc/76/98/64/928769864.db2.gz IFEJSKLAWNGDMP-ROUUACIJSA-N 2 1 296.499 3.390 20 0 CGADMP C[N@H+]1CC[C@H]2CN(CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651217 937538239 /nfs/dbraw/zinc/53/82/39/937538239.db2.gz HLZZXCVBRRPJLR-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651217 937538241 /nfs/dbraw/zinc/53/82/41/937538241.db2.gz HLZZXCVBRRPJLR-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651217 937538243 /nfs/dbraw/zinc/53/82/43/937538243.db2.gz HLZZXCVBRRPJLR-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651217 937538245 /nfs/dbraw/zinc/53/82/45/937538245.db2.gz HLZZXCVBRRPJLR-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC001460651217 937538246 /nfs/dbraw/zinc/53/82/46/937538246.db2.gz HLZZXCVBRRPJLR-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP CCc1nc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000314043250 932028434 /nfs/dbraw/zinc/02/84/34/932028434.db2.gz AJXZKPKETUSACC-GUYCJALGSA-N 2 1 290.455 3.270 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC[NH+](C)C ZINC000352873758 932729938 /nfs/dbraw/zinc/72/99/38/932729938.db2.gz GYJFPGFTUAKTLQ-ZDUSSCGKSA-N 2 1 268.832 3.155 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C12CCCC2 ZINC001462407351 937638619 /nfs/dbraw/zinc/63/86/19/937638619.db2.gz WINOYFQGBPBKKI-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP CSC1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001462518198 937646481 /nfs/dbraw/zinc/64/64/81/937646481.db2.gz MISJXUOVXPQONY-SIWZUTFBSA-N 2 1 282.497 3.267 20 0 CGADMP CSC1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001462518198 937646483 /nfs/dbraw/zinc/64/64/83/937646483.db2.gz MISJXUOVXPQONY-SIWZUTFBSA-N 2 1 282.497 3.267 20 0 CGADMP CCCCC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC001307949543 933025641 /nfs/dbraw/zinc/02/56/41/933025641.db2.gz HFQBSJZRNPVNMB-IAGOWNOFSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC001307949543 933025643 /nfs/dbraw/zinc/02/56/43/933025643.db2.gz HFQBSJZRNPVNMB-IAGOWNOFSA-N 2 1 284.488 3.122 20 0 CGADMP CCCCC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC001307949543 933025650 /nfs/dbraw/zinc/02/56/50/933025650.db2.gz HFQBSJZRNPVNMB-IAGOWNOFSA-N 2 1 284.488 3.122 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOCC1CCCC1 ZINC001308041302 933038463 /nfs/dbraw/zinc/03/84/63/933038463.db2.gz ZDAFDIUJZHCWQN-UHFFFAOYSA-N 2 1 296.499 3.391 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041411 933038674 /nfs/dbraw/zinc/03/86/74/933038674.db2.gz SSOUGUWVRMUNKG-JKSUJKDBSA-N 2 1 281.403 3.353 20 0 CGADMP CCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001308477874 933117857 /nfs/dbraw/zinc/11/78/57/933117857.db2.gz BXVVLDRHLHWORO-IBGZPJMESA-N 2 1 286.463 3.461 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC001308552324 933130350 /nfs/dbraw/zinc/13/03/50/933130350.db2.gz BJRFRDDKVHJYIT-WHOFXGATSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC001308552324 933130351 /nfs/dbraw/zinc/13/03/51/933130351.db2.gz BJRFRDDKVHJYIT-WHOFXGATSA-N 2 1 299.245 3.423 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)CC1 ZINC001308560699 933133224 /nfs/dbraw/zinc/13/32/24/933133224.db2.gz LIDMGIMWQFFHIL-UHFFFAOYSA-N 2 1 297.446 3.258 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3c4ccccc4[nH]c3C2)CC1 ZINC001308560699 933133227 /nfs/dbraw/zinc/13/32/27/933133227.db2.gz LIDMGIMWQFFHIL-UHFFFAOYSA-N 2 1 297.446 3.258 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001308740903 933168372 /nfs/dbraw/zinc/16/83/72/933168372.db2.gz OPOXTCJIRKVBJR-CQSZACIVSA-N 2 1 289.448 3.116 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCc1ccc(F)c(F)c1 ZINC001308745901 933168866 /nfs/dbraw/zinc/16/88/66/933168866.db2.gz HWEYRJVXJXXLTK-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCc1ccc(F)c(F)c1 ZINC001308745901 933168875 /nfs/dbraw/zinc/16/88/75/933168875.db2.gz HWEYRJVXJXXLTK-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308745901 933168877 /nfs/dbraw/zinc/16/88/77/933168877.db2.gz HWEYRJVXJXXLTK-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308745901 933168881 /nfs/dbraw/zinc/16/88/81/933168881.db2.gz HWEYRJVXJXXLTK-SUMWQHHRSA-N 2 1 296.405 3.169 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1C(F)(F)F ZINC001308748571 933169724 /nfs/dbraw/zinc/16/97/24/933169724.db2.gz RIEBTMWLUGJHGI-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1C(F)(F)F ZINC001308748571 933169728 /nfs/dbraw/zinc/16/97/28/933169728.db2.gz RIEBTMWLUGJHGI-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CSC[C@@H]1C)C1CCCCC1 ZINC001308850736 933189325 /nfs/dbraw/zinc/18/93/25/933189325.db2.gz KAHHLAODZLSPHH-GOEBONIOSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)c1cccc(Cl)c1 ZINC001308983351 933221178 /nfs/dbraw/zinc/22/11/78/933221178.db2.gz CLUQPQJCFVDYLM-ODVANORSSA-N 2 1 292.854 3.373 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319211011 933843068 /nfs/dbraw/zinc/84/30/68/933843068.db2.gz IDPSLGAJWIPWIG-UAGQMJEPSA-N 2 1 290.451 3.089 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455485 933879253 /nfs/dbraw/zinc/87/92/53/933879253.db2.gz WBGOWYIGVIIBGY-SJCJKPOMSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455485 933879259 /nfs/dbraw/zinc/87/92/59/933879259.db2.gz WBGOWYIGVIIBGY-SJCJKPOMSA-N 2 1 294.389 3.274 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001319660919 933910525 /nfs/dbraw/zinc/91/05/25/933910525.db2.gz ZTTDNCRIYOJHQQ-DLBZAZTESA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001319660919 933910535 /nfs/dbraw/zinc/91/05/35/933910535.db2.gz ZTTDNCRIYOJHQQ-DLBZAZTESA-N 2 1 275.440 3.484 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC)C2)s1 ZINC001319755772 933927832 /nfs/dbraw/zinc/92/78/32/933927832.db2.gz SWWYZJNQRLPGIU-JSGCOSHPSA-N 2 1 295.496 3.396 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755713 933928058 /nfs/dbraw/zinc/92/80/58/933928058.db2.gz REPIWUOFWXWUBP-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755713 933928062 /nfs/dbraw/zinc/92/80/62/933928062.db2.gz REPIWUOFWXWUBP-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC001321273929 934172198 /nfs/dbraw/zinc/17/21/98/934172198.db2.gz PMVOVXKRORULBC-LVQVYYBASA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001322641955 934322443 /nfs/dbraw/zinc/32/24/43/934322443.db2.gz FTHVRGVEZBHIAK-FXUDXRNXSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC001324158425 934467498 /nfs/dbraw/zinc/46/74/98/934467498.db2.gz LWVHTRMYKMUVBX-DGCLKSJQSA-N 2 1 289.810 3.141 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC001324542480 934522088 /nfs/dbraw/zinc/52/20/88/934522088.db2.gz MRNLBUJTPPFRMM-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](Nc3cc(C)[nH+]c(C)n3)C2)c1 ZINC001472844357 937786614 /nfs/dbraw/zinc/78/66/14/937786614.db2.gz NYFUEICZAZTZSU-QGZVFWFLSA-N 2 1 296.418 3.088 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](Nc3cc(C)[nH+]c(C)n3)C2)c1 ZINC001472844357 937786615 /nfs/dbraw/zinc/78/66/15/937786615.db2.gz NYFUEICZAZTZSU-QGZVFWFLSA-N 2 1 296.418 3.088 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001473567667 937812292 /nfs/dbraw/zinc/81/22/92/937812292.db2.gz VOBWGYDABNZVEV-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC001326037353 934945960 /nfs/dbraw/zinc/94/59/60/934945960.db2.gz WOZFLXSYXWEXEK-YPMHNXCESA-N 2 1 260.381 3.390 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001330715130 935316685 /nfs/dbraw/zinc/31/66/85/935316685.db2.gz UCGNKCRQSMNXJK-BPQIPLTHSA-N 2 1 289.467 3.255 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC001336887586 936225414 /nfs/dbraw/zinc/22/54/14/936225414.db2.gz DDZPNTHADOSKFC-FGTMMUONSA-N 2 1 297.446 3.330 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001473935660 937831459 /nfs/dbraw/zinc/83/14/59/937831459.db2.gz BGYKXNCSKKLEIT-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001473957955 937832311 /nfs/dbraw/zinc/83/23/11/937832311.db2.gz YLCAACLPAHKTAU-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001473957955 937832313 /nfs/dbraw/zinc/83/23/13/937832313.db2.gz YLCAACLPAHKTAU-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC001474302840 937849849 /nfs/dbraw/zinc/84/98/49/937849849.db2.gz IEDCRDMLYKIBOK-YWPYICTPSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC001474303130 937849951 /nfs/dbraw/zinc/84/99/51/937849951.db2.gz QYEFVQQOTVENIL-UVBJJODRSA-N 2 1 288.366 3.002 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC001474303130 937849953 /nfs/dbraw/zinc/84/99/53/937849953.db2.gz QYEFVQQOTVENIL-UVBJJODRSA-N 2 1 288.366 3.002 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC001474302838 937850051 /nfs/dbraw/zinc/85/00/51/937850051.db2.gz IEDCRDMLYKIBOK-HUBLWGQQSA-N 2 1 299.245 3.423 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001474552939 937866268 /nfs/dbraw/zinc/86/62/68/937866268.db2.gz FCLVYMUBKJPAMP-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001474552939 937866269 /nfs/dbraw/zinc/86/62/69/937866269.db2.gz FCLVYMUBKJPAMP-FXUDXRNXSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CC2(C1)CCCC2 ZINC001474577568 937868501 /nfs/dbraw/zinc/86/85/01/937868501.db2.gz WLJAIRJURAGNQW-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CC2(C1)CCCC2 ZINC001474577568 937868502 /nfs/dbraw/zinc/86/85/02/937868502.db2.gz WLJAIRJURAGNQW-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC001474612209 937870083 /nfs/dbraw/zinc/87/00/83/937870083.db2.gz CNWNETQTLOMIBJ-JKSUJKDBSA-N 2 1 254.462 3.379 20 0 CGADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC001515203294 938005051 /nfs/dbraw/zinc/00/50/51/938005051.db2.gz BITJMGPYRYPICJ-XJKSGUPXSA-N 2 1 287.432 3.060 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)F)C2)C1 ZINC001549548707 938158015 /nfs/dbraw/zinc/15/80/15/938158015.db2.gz YJGJTRGKVHNPBW-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC001550352287 938166117 /nfs/dbraw/zinc/16/61/17/938166117.db2.gz ANIDFMSIZGVUKA-JOCBIADPSA-N 2 1 272.436 3.239 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001550539649 938167450 /nfs/dbraw/zinc/16/74/50/938167450.db2.gz GQVUNLJVOIOGME-JSGCOSHPSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001550539649 938167451 /nfs/dbraw/zinc/16/74/51/938167451.db2.gz GQVUNLJVOIOGME-JSGCOSHPSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001550539649 938167452 /nfs/dbraw/zinc/16/74/52/938167452.db2.gz GQVUNLJVOIOGME-JSGCOSHPSA-N 2 1 298.352 3.089 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001550540333 938167687 /nfs/dbraw/zinc/16/76/87/938167687.db2.gz BTIZSOZLQASQOH-PMACEKPBSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001550540333 938167688 /nfs/dbraw/zinc/16/76/88/938167688.db2.gz BTIZSOZLQASQOH-PMACEKPBSA-N 2 1 294.442 3.266 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001550540333 938167689 /nfs/dbraw/zinc/16/76/89/938167689.db2.gz BTIZSOZLQASQOH-PMACEKPBSA-N 2 1 294.442 3.266 20 0 CGADMP c1coc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001551380879 938180868 /nfs/dbraw/zinc/18/08/68/938180868.db2.gz SCVOWKGZEMTDBD-TVFCKZIOSA-N 2 1 296.414 3.466 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001552414412 938192022 /nfs/dbraw/zinc/19/20/22/938192022.db2.gz YCKZWRLYDVNMCK-JCHJZTRSSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001552414412 938192023 /nfs/dbraw/zinc/19/20/23/938192023.db2.gz YCKZWRLYDVNMCK-JCHJZTRSSA-N 2 1 284.447 3.254 20 0 CGADMP CCc1c[nH]c2nc[nH+]c(NCCCC[NH+](CC)CC)c12 ZINC001559134971 938220918 /nfs/dbraw/zinc/22/09/18/938220918.db2.gz RBMQDVZKLGFXDY-UHFFFAOYSA-N 2 1 289.427 3.006 20 0 CGADMP C[N@@H+](CCCc1c(F)cccc1F)C[C@H]1CCC[NH+](C)C1 ZINC001559558612 938229372 /nfs/dbraw/zinc/22/93/72/938229372.db2.gz ZWXUILIPEMKUTA-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP C[NH+](CCCc1c(F)cccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC001559558612 938229373 /nfs/dbraw/zinc/22/93/73/938229373.db2.gz ZWXUILIPEMKUTA-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP C[NH+](CCCc1c(F)cccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC001559558612 938229374 /nfs/dbraw/zinc/22/93/74/938229374.db2.gz ZWXUILIPEMKUTA-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP CCCC[N@@H+](CCOCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001560035982 938242185 /nfs/dbraw/zinc/24/21/85/938242185.db2.gz MZZUXYQMJAQQIV-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP CC(C)=CCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001560238891 938248345 /nfs/dbraw/zinc/24/83/45/938248345.db2.gz ZKNFSQXLLNUZGH-CALCHBBNSA-N 2 1 262.441 3.151 20 0 CGADMP CC(C)=CCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238891 938248346 /nfs/dbraw/zinc/24/83/46/938248346.db2.gz ZKNFSQXLLNUZGH-CALCHBBNSA-N 2 1 262.441 3.151 20 0 CGADMP CC(C)=CCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238891 938248347 /nfs/dbraw/zinc/24/83/47/938248347.db2.gz ZKNFSQXLLNUZGH-CALCHBBNSA-N 2 1 262.441 3.151 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC001560465218 938259392 /nfs/dbraw/zinc/25/93/92/938259392.db2.gz LILVEHPRSLEQMZ-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC001560465218 938259393 /nfs/dbraw/zinc/25/93/93/938259393.db2.gz LILVEHPRSLEQMZ-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC001560465579 938259423 /nfs/dbraw/zinc/25/94/23/938259423.db2.gz YDZBQVHAIOOKRD-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC001560465579 938259424 /nfs/dbraw/zinc/25/94/24/938259424.db2.gz YDZBQVHAIOOKRD-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP CCO[C@H](C[NH2+]C1CCC(CC)(CC)CC1)C[NH+](C)C ZINC001560585561 938264165 /nfs/dbraw/zinc/26/41/65/938264165.db2.gz AUIYZXBSRDZTLK-MRXNPFEDSA-N 2 1 284.488 3.292 20 0 CGADMP CCc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC)CC1)CCO2 ZINC001560736014 938273143 /nfs/dbraw/zinc/27/31/43/938273143.db2.gz JXRNTGJIZHWQGE-QGZVFWFLSA-N 2 1 288.435 3.147 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001560972816 938287547 /nfs/dbraw/zinc/28/75/47/938287547.db2.gz ZFKGIVSXZUFZKU-RHSMWYFYSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001560972816 938287548 /nfs/dbraw/zinc/28/75/48/938287548.db2.gz ZFKGIVSXZUFZKU-RHSMWYFYSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001560972816 938287549 /nfs/dbraw/zinc/28/75/49/938287549.db2.gz ZFKGIVSXZUFZKU-RHSMWYFYSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001560972816 938287551 /nfs/dbraw/zinc/28/75/51/938287551.db2.gz ZFKGIVSXZUFZKU-RHSMWYFYSA-N 2 1 292.854 3.483 20 0 CGADMP CCO[C@@H](C[NH2+][C@@H]1CCCCC12CCCC2)C[NH+](C)C ZINC001561002028 938288665 /nfs/dbraw/zinc/28/86/65/938288665.db2.gz MSFKJZHILLDNKD-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CCCN1CCC([NH2+][C@@H](c2ccccn2)C(C)C)CC1 ZINC000766081068 957842120 /nfs/dbraw/zinc/84/21/20/957842120.db2.gz JXLMNOBLECTWBE-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccccn2)C(C)C)CC1 ZINC000766081068 957842132 /nfs/dbraw/zinc/84/21/32/957842132.db2.gz JXLMNOBLECTWBE-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001575564983 960468991 /nfs/dbraw/zinc/46/89/91/960468991.db2.gz HANATZOOGOEAKG-QKPAOTATSA-N 2 1 252.446 3.321 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC001575119730 960470879 /nfs/dbraw/zinc/47/08/79/960470879.db2.gz OHDQUCKRWOITSQ-GFCCVEGCSA-N 2 1 293.480 3.047 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC001577419456 960474326 /nfs/dbraw/zinc/47/43/26/960474326.db2.gz SGCJLZOKZWHYLH-QZTJIDSGSA-N 2 1 295.515 3.010 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC001576669674 960475412 /nfs/dbraw/zinc/47/54/12/960475412.db2.gz STUTXAZIFJCAHS-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC001576669674 960475422 /nfs/dbraw/zinc/47/54/22/960475422.db2.gz STUTXAZIFJCAHS-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001575423395 962382240 /nfs/dbraw/zinc/38/22/40/962382240.db2.gz TWBGNIGNLGUIMJ-RYQLBKOJSA-N 2 1 274.452 3.170 20 0 CGADMP CC(C)[N@@H+](CCC1([NH3+])CCOCC1)[C@@H](C)c1ccsc1 ZINC001575690360 962410720 /nfs/dbraw/zinc/41/07/20/962410720.db2.gz JVOJEQOJJHBVBL-AWEZNQCLSA-N 2 1 296.480 3.418 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001576300267 962445510 /nfs/dbraw/zinc/44/55/10/962445510.db2.gz CRMUWRHRXFEUGS-DFBGVHRSSA-N 2 1 298.352 3.308 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576301681 962450757 /nfs/dbraw/zinc/45/07/57/962450757.db2.gz QMMAGONDFKGXKI-CQSZACIVSA-N 2 1 272.436 3.168 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2coc3ccccc23)[C@@H]2CCC[NH2+][C@H]21 ZINC001576392143 962459094 /nfs/dbraw/zinc/45/90/94/962459094.db2.gz XTWJAWJOZPPJTO-DJIMGWMZSA-N 2 1 284.403 3.299 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC001576680057 962482235 /nfs/dbraw/zinc/48/22/35/962482235.db2.gz XYXXCHRGHKRTAP-LTIDMASMSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@]2(C)CC2(Cl)Cl)[C@H]1CC[NH3+] ZINC001576705547 962485239 /nfs/dbraw/zinc/48/52/39/962485239.db2.gz UMXFKMMCUILNCK-WOPDTQHZSA-N 2 1 279.255 3.020 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)[C@@H]2CCCC[C@H]21 ZINC001576809236 962487585 /nfs/dbraw/zinc/48/75/85/962487585.db2.gz QQFKKLLDSZJVOH-XOKHGSTOSA-N 2 1 258.409 3.156 20 0 CGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1C[NH3+] ZINC001576802512 962493665 /nfs/dbraw/zinc/49/36/65/962493665.db2.gz YIAGXWOPYDWSQF-GDBMZVCRSA-N 2 1 252.446 3.264 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001576998588 962506091 /nfs/dbraw/zinc/50/60/91/962506091.db2.gz ZJQPXEWSJFLUIF-DZKIICNBSA-N 2 1 252.446 3.405 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001577076664 962511923 /nfs/dbraw/zinc/51/19/23/962511923.db2.gz AFDQPPSSMJVUSK-DJIMGWMZSA-N 2 1 260.425 3.128 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(OCC(C)C)c2)CC[C@H]1[NH3+] ZINC001577279250 962529322 /nfs/dbraw/zinc/52/93/22/962529322.db2.gz AYRDBZJCRVPZAW-FUHWJXTLSA-N 2 1 290.451 3.281 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1F ZINC001578234424 962572992 /nfs/dbraw/zinc/57/29/92/962572992.db2.gz ZDFDYCWAEOJQQB-SOUVJXGZSA-N 2 1 262.372 3.136 20 0 CGADMP CCc1cccc2cc(C[N@H+]3CC[C@](C)(C[NH3+])C3)oc21 ZINC001578268290 962582721 /nfs/dbraw/zinc/58/27/21/962582721.db2.gz DMWNGSXLKVTDJI-QGZVFWFLSA-N 2 1 272.392 3.166 20 0 CGADMP CO[C@H](C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+])C1CCCCC1 ZINC001578909076 962601295 /nfs/dbraw/zinc/60/12/95/962601295.db2.gz PLHUVJGEDABAIK-TXCZRRACSA-N 2 1 282.472 3.029 20 0 CGADMP CO[C@H](C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+])C1CCCCC1 ZINC001578909076 962601306 /nfs/dbraw/zinc/60/13/06/962601306.db2.gz PLHUVJGEDABAIK-TXCZRRACSA-N 2 1 282.472 3.029 20 0 CGADMP COCC[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC001579005796 962609698 /nfs/dbraw/zinc/60/96/98/962609698.db2.gz YVMZABAMAKBKIS-IAGOWNOFSA-N 2 1 278.440 3.069 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1CCC1C[NH2+]C1 ZINC001579470955 962627189 /nfs/dbraw/zinc/62/71/89/962627189.db2.gz RIYYFJFXRVNPNU-RHSMWYFYSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCc1cccc2ccccc21 ZINC001579454486 962629928 /nfs/dbraw/zinc/62/99/28/962629928.db2.gz GHALUGQWWLUJSH-QAPCUYQASA-N 2 1 282.431 3.170 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(F)cc1Cl ZINC001579485761 962630674 /nfs/dbraw/zinc/63/06/74/962630674.db2.gz NLFWCOXGWKQJJC-FZZIBODNSA-N 2 1 282.790 3.400 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC001579459468 962631025 /nfs/dbraw/zinc/63/10/25/962631025.db2.gz BYRXXDKGUNWSSW-OLZOCXBDSA-N 2 1 294.389 3.179 20 0 CGADMP Clc1ccc(C[N@H+](CC2C[NH2+]C2)C2CC2)cc1Cl ZINC001579937931 962678976 /nfs/dbraw/zinc/67/89/76/962678976.db2.gz FNKUOVFEMXNZNB-UHFFFAOYSA-N 2 1 285.218 3.177 20 0 CGADMP Clc1ccc(C[N@@H+](CC2C[NH2+]C2)C2CC2)cc1Cl ZINC001579937931 962678980 /nfs/dbraw/zinc/67/89/80/962678980.db2.gz FNKUOVFEMXNZNB-UHFFFAOYSA-N 2 1 285.218 3.177 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001580170489 962692976 /nfs/dbraw/zinc/69/29/76/962692976.db2.gz VPYYWSNCAGBDOB-SRVKXCTJSA-N 2 1 299.245 3.348 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001580170489 962692985 /nfs/dbraw/zinc/69/29/85/962692985.db2.gz VPYYWSNCAGBDOB-SRVKXCTJSA-N 2 1 299.245 3.348 20 0 CGADMP [NH3+]C[C@]12C[N@@H+](CCOC3CCCCCC3)C[C@H]1CCCC2 ZINC001580254532 962705074 /nfs/dbraw/zinc/70/50/74/962705074.db2.gz DKKAEFGIRLHVPX-SJLPKXTDSA-N 2 1 294.483 3.177 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)cc2ccccc21)C1CC1 ZINC001580229242 962708758 /nfs/dbraw/zinc/70/87/58/962708758.db2.gz KTZHVWQPYUEUJJ-MRXNPFEDSA-N 2 1 274.795 3.320 20 0 CGADMP c1ccc([C@@H]2CC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC001580892742 962738887 /nfs/dbraw/zinc/73/88/87/962738887.db2.gz FLAYSYRIFKJUJV-IBGZPJMESA-N 2 1 278.399 3.279 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3c2CCC3)CC1 ZINC000651611204 398258088 /nfs/dbraw/zinc/25/80/88/398258088.db2.gz MZLDNFYQVZOAIF-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3c2CCC3)CC1 ZINC000651611204 398258089 /nfs/dbraw/zinc/25/80/89/398258089.db2.gz MZLDNFYQVZOAIF-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000651675999 398267470 /nfs/dbraw/zinc/26/74/70/398267470.db2.gz KZYXUXWEHTXOMC-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2c1CCC2 ZINC000651720300 398274828 /nfs/dbraw/zinc/27/48/28/398274828.db2.gz WILPPYXBCRSARO-UHFFFAOYSA-N 2 1 283.419 3.250 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622005378 349621172 /nfs/dbraw/zinc/62/11/72/349621172.db2.gz CQZNHFFPKFXLCH-DNVCBOLYSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622005378 349621174 /nfs/dbraw/zinc/62/11/74/349621174.db2.gz CQZNHFFPKFXLCH-DNVCBOLYSA-N 2 1 296.414 3.162 20 0 CGADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651828089 398294754 /nfs/dbraw/zinc/29/47/54/398294754.db2.gz VHUXGMMVRZYHFE-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651828177 398294823 /nfs/dbraw/zinc/29/48/23/398294823.db2.gz YDYXKRGKBUTZAZ-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000337944338 214323312 /nfs/dbraw/zinc/32/33/12/214323312.db2.gz BEFJFBDACUBSDZ-INIZCTEOSA-N 2 1 285.435 3.440 20 0 CGADMP CC[C@H]1CCC[C@H](C[NH2+]CCCn2cc[nH+]c2C)C1 ZINC000337946583 214326069 /nfs/dbraw/zinc/32/60/69/214326069.db2.gz OPXITPPAUIXRKC-HOTGVXAUSA-N 2 1 263.429 3.388 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000651829458 398295439 /nfs/dbraw/zinc/29/54/39/398295439.db2.gz COTGCAAEOVLGRW-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000651865794 398299214 /nfs/dbraw/zinc/29/92/14/398299214.db2.gz IARLWXYWSDVFNW-UHFFFAOYSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337997556 214350841 /nfs/dbraw/zinc/35/08/41/214350841.db2.gz RURWFFYKPXXDNL-OHFALNGGSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337997556 214350844 /nfs/dbraw/zinc/35/08/44/214350844.db2.gz RURWFFYKPXXDNL-OHFALNGGSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)C1CCCC1 ZINC000337998127 214353625 /nfs/dbraw/zinc/35/36/25/214353625.db2.gz QPKODAHJMFWBON-CVEARBPZSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)C1CCCC1 ZINC000337998127 214353627 /nfs/dbraw/zinc/35/36/27/214353627.db2.gz QPKODAHJMFWBON-CVEARBPZSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423484022 529453401 /nfs/dbraw/zinc/45/34/01/529453401.db2.gz YDERNTLWFILGNZ-ROUUACIJSA-N 2 1 286.394 3.436 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423456598 529453409 /nfs/dbraw/zinc/45/34/09/529453409.db2.gz DRYYFXRVMMAAMD-AAEUAGOBSA-N 2 1 290.329 3.363 20 0 CGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccco1 ZINC000125948277 187206926 /nfs/dbraw/zinc/20/69/26/187206926.db2.gz QJCVJMFQUOCMKG-JSGCOSHPSA-N 2 1 252.402 3.297 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000268812094 282209384 /nfs/dbraw/zinc/20/93/84/282209384.db2.gz MOPKZVMSSNBJGV-INIZCTEOSA-N 2 1 297.402 3.228 20 0 CGADMP CCc1ccc(CC[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000441276261 529627051 /nfs/dbraw/zinc/62/70/51/529627051.db2.gz JRFRXKKHWBIMAA-UHFFFAOYSA-N 2 1 285.435 3.319 20 0 CGADMP CCc1ccc(CC[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000441276261 529627055 /nfs/dbraw/zinc/62/70/55/529627055.db2.gz JRFRXKKHWBIMAA-UHFFFAOYSA-N 2 1 285.435 3.319 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000337451048 282210492 /nfs/dbraw/zinc/21/04/92/282210492.db2.gz SWGZPNAKPNABMT-BLLLJJGKSA-N 2 1 289.810 3.370 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cc2)CC1(C)C ZINC000623340662 349782770 /nfs/dbraw/zinc/78/27/70/349782770.db2.gz STHTXOCWOUKCEY-CQSZACIVSA-N 2 1 296.842 3.181 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CCCC1 ZINC000449071200 529617515 /nfs/dbraw/zinc/61/75/15/529617515.db2.gz GPGZVAGCLBILDL-BBRMVZONSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cc1F ZINC000425951310 529617939 /nfs/dbraw/zinc/61/79/39/529617939.db2.gz MLTBYAGJWKJTDP-NHYWBVRUSA-N 2 1 270.367 3.203 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423316052 529619199 /nfs/dbraw/zinc/61/91/99/529619199.db2.gz JQQSTJYYXXIFHQ-KBPBESRZSA-N 2 1 297.240 3.227 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623358079 349788150 /nfs/dbraw/zinc/78/81/50/349788150.db2.gz NDODDGYSJIAYAQ-IAGOWNOFSA-N 3 1 295.515 3.103 20 0 CGADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358079 349788151 /nfs/dbraw/zinc/78/81/51/349788151.db2.gz NDODDGYSJIAYAQ-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358079 349788156 /nfs/dbraw/zinc/78/81/56/349788156.db2.gz NDODDGYSJIAYAQ-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623358079 349788158 /nfs/dbraw/zinc/78/81/58/349788158.db2.gz NDODDGYSJIAYAQ-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623358079 349788162 /nfs/dbraw/zinc/78/81/62/349788162.db2.gz NDODDGYSJIAYAQ-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623396229 349797543 /nfs/dbraw/zinc/79/75/43/349797543.db2.gz LCATYIROMPKSDL-INIZCTEOSA-N 2 1 286.463 3.489 20 0 CGADMP C[N@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)CC1(C)C ZINC000623394432 349797929 /nfs/dbraw/zinc/79/79/29/349797929.db2.gz FKYNVGHEHGCTMU-LBPRGKRZSA-N 2 1 284.806 3.442 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC1(C)C ZINC000623394432 349797938 /nfs/dbraw/zinc/79/79/38/349797938.db2.gz FKYNVGHEHGCTMU-LBPRGKRZSA-N 2 1 284.806 3.442 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CC1(C)C ZINC000623412949 349802149 /nfs/dbraw/zinc/80/21/49/349802149.db2.gz FCLBNEPSANDYJS-JKSUJKDBSA-N 2 1 272.436 3.179 20 0 CGADMP C[N@H+]1CC[C@@H](N[C@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411956 349802169 /nfs/dbraw/zinc/80/21/69/349802169.db2.gz ROKQJWYWEHDCPM-HIFRSBDPSA-N 2 1 292.398 3.112 20 0 CGADMP C[N@H+]1CC[C@@H](N[C@@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411957 349801741 /nfs/dbraw/zinc/80/17/41/349801741.db2.gz ROKQJWYWEHDCPM-UKRRQHHQSA-N 2 1 292.398 3.112 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623410677 349801786 /nfs/dbraw/zinc/80/17/86/349801786.db2.gz AEWVLPVBLSMFDX-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623410677 349801790 /nfs/dbraw/zinc/80/17/90/349801790.db2.gz AEWVLPVBLSMFDX-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127874434 187338567 /nfs/dbraw/zinc/33/85/67/187338567.db2.gz ANKAPMPCDLXMLV-ZIAGYGMSSA-N 2 1 289.398 3.360 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000414178759 529707191 /nfs/dbraw/zinc/70/71/91/529707191.db2.gz JREGQVLNLFLBOC-GFCCVEGCSA-N 2 1 269.348 3.341 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623445436 349811560 /nfs/dbraw/zinc/81/15/60/349811560.db2.gz RBIRUUOCUUCBIL-INIZCTEOSA-N 2 1 290.451 3.356 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623445436 349811561 /nfs/dbraw/zinc/81/15/61/349811561.db2.gz RBIRUUOCUUCBIL-INIZCTEOSA-N 2 1 290.451 3.356 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000358341462 282273635 /nfs/dbraw/zinc/27/36/35/282273635.db2.gz NTQZFVXOBAQGRW-SRABZTEZSA-N 2 1 284.488 3.146 20 0 CGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623486910 349818168 /nfs/dbraw/zinc/81/81/68/349818168.db2.gz NCPJGNRXZOLHKO-BBWFWOEESA-N 2 1 296.499 3.433 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCSc3ccc(Cl)cc3)C[C@@H]12 ZINC000351473291 219098930 /nfs/dbraw/zinc/09/89/30/219098930.db2.gz DHAKJGDQBBOPRL-NILFDRSVSA-N 2 1 296.867 3.101 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCC2(F)F)CC1(C)C ZINC000623535212 349828236 /nfs/dbraw/zinc/82/82/36/349828236.db2.gz QFTLRINKEDQFIE-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623564665 349835752 /nfs/dbraw/zinc/83/57/52/349835752.db2.gz MTDCTOLKYPJOOM-KRWDZBQOSA-N 2 1 274.452 3.308 20 0 CGADMP Cc1ccc(SCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000351493165 219103804 /nfs/dbraw/zinc/10/38/04/219103804.db2.gz MDYHIFNUQOCAGT-USXIJHARSA-N 2 1 290.476 3.065 20 0 CGADMP C[N@H+]1CC[C@@H](N[C@@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638532 349852430 /nfs/dbraw/zinc/85/24/30/349852430.db2.gz IRNVOCOVCRCLJT-NVXWUHKLSA-N 2 1 287.451 3.385 20 0 CGADMP CN1CC[C@@H]([NH2+][C@@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638532 349852434 /nfs/dbraw/zinc/85/24/34/349852434.db2.gz IRNVOCOVCRCLJT-NVXWUHKLSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638532 349852437 /nfs/dbraw/zinc/85/24/37/349852437.db2.gz IRNVOCOVCRCLJT-NVXWUHKLSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638532 349852440 /nfs/dbraw/zinc/85/24/40/349852440.db2.gz IRNVOCOVCRCLJT-NVXWUHKLSA-N 2 1 287.451 3.385 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)o1 ZINC000623655993 349856406 /nfs/dbraw/zinc/85/64/06/349856406.db2.gz KPGCDELDZZRPBS-FMKPAKJESA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000623655993 349856413 /nfs/dbraw/zinc/85/64/13/349856413.db2.gz KPGCDELDZZRPBS-FMKPAKJESA-N 2 1 276.424 3.225 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1C ZINC000623654522 349856894 /nfs/dbraw/zinc/85/68/94/349856894.db2.gz BJCQDCJQBULJRV-KRWDZBQOSA-N 2 1 260.425 3.125 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656030 349856930 /nfs/dbraw/zinc/85/69/30/349856930.db2.gz LGTVPRVLSZJCIU-XSVZSIDJSA-N 2 1 272.436 3.411 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623655031 349857288 /nfs/dbraw/zinc/85/72/88/349857288.db2.gz MLYMSPRZCSEQOJ-QGZVFWFLSA-N 2 1 290.451 3.297 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000623656960 349857839 /nfs/dbraw/zinc/85/78/39/349857839.db2.gz GVNQSGBYLSXHGO-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000623656960 349857841 /nfs/dbraw/zinc/85/78/41/349857841.db2.gz GVNQSGBYLSXHGO-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc2cccnc12 ZINC000623657298 349858331 /nfs/dbraw/zinc/85/83/31/349858331.db2.gz MYSAVNZJAJMBJM-INIZCTEOSA-N 2 1 297.446 3.365 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC000414149761 529883948 /nfs/dbraw/zinc/88/39/48/529883948.db2.gz OJWQKMICWLDAEG-HOTGVXAUSA-N 2 1 296.499 3.433 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000166185856 529964738 /nfs/dbraw/zinc/96/47/38/529964738.db2.gz AXBYDLANUDWTMV-UHFFFAOYSA-N 2 1 254.443 3.087 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000166185856 529964740 /nfs/dbraw/zinc/96/47/40/529964740.db2.gz AXBYDLANUDWTMV-UHFFFAOYSA-N 2 1 254.443 3.087 20 0 CGADMP C[N@H+](Cc1cccc2ccoc21)C[C@@H]1CCC[NH+](C)C1 ZINC000449017993 529996757 /nfs/dbraw/zinc/99/67/57/529996757.db2.gz ZVXIZRIRSLSWCF-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1cccc2ccoc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000449017993 529996758 /nfs/dbraw/zinc/99/67/58/529996758.db2.gz ZVXIZRIRSLSWCF-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1cccc2ccoc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000449017993 529996759 /nfs/dbraw/zinc/99/67/59/529996759.db2.gz ZVXIZRIRSLSWCF-CQSZACIVSA-N 2 1 272.392 3.206 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000414174034 530060844 /nfs/dbraw/zinc/06/08/44/530060844.db2.gz GKLYTVJUIJSUMZ-CRAIPNDOSA-N 2 1 272.436 3.459 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000040622773 344964111 /nfs/dbraw/zinc/96/41/11/344964111.db2.gz CCUSJHNWQMLADD-FHERZECASA-N 2 1 290.426 3.392 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C(C1CC1)C1CC1 ZINC000036984059 344946442 /nfs/dbraw/zinc/94/64/42/344946442.db2.gz LUFRDZBFADBCTE-ZDUSSCGKSA-N 2 1 250.430 3.029 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C(C1CC1)C1CC1)[NH+](C)C ZINC000037466816 344950856 /nfs/dbraw/zinc/95/08/56/344950856.db2.gz LQQVKFWYYCWWHH-OAHLLOKOSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000043314281 344996792 /nfs/dbraw/zinc/99/67/92/344996792.db2.gz LPTIRDRNDBAGFF-INIZCTEOSA-N 2 1 260.425 3.123 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389959 344997689 /nfs/dbraw/zinc/99/76/89/344997689.db2.gz VLTQQYGSLAPJGJ-CYBMUJFWSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389959 344997692 /nfs/dbraw/zinc/99/76/92/344997692.db2.gz VLTQQYGSLAPJGJ-CYBMUJFWSA-N 2 1 284.806 3.299 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000076002666 345530155 /nfs/dbraw/zinc/53/01/55/345530155.db2.gz OODZFGRTKNKQRH-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081630742 345716608 /nfs/dbraw/zinc/71/66/08/345716608.db2.gz UUCGVEGSYXSVCP-SFHVURJKSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081630742 345716611 /nfs/dbraw/zinc/71/66/11/345716611.db2.gz UUCGVEGSYXSVCP-SFHVURJKSA-N 2 1 272.436 3.159 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081630742 345716614 /nfs/dbraw/zinc/71/66/14/345716614.db2.gz UUCGVEGSYXSVCP-SFHVURJKSA-N 2 1 272.436 3.159 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214395 345766849 /nfs/dbraw/zinc/76/68/49/345766849.db2.gz KBNKXRYRKOPTLY-AFAVFJNCSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000089214395 345766851 /nfs/dbraw/zinc/76/68/51/345766851.db2.gz KBNKXRYRKOPTLY-AFAVFJNCSA-N 2 1 276.399 3.133 20 0 CGADMP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000090853718 345796421 /nfs/dbraw/zinc/79/64/21/345796421.db2.gz SBVYKSZHYVZYSQ-RTBURBONSA-N 2 1 284.447 3.008 20 0 CGADMP COC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000173918805 232292081 /nfs/dbraw/zinc/29/20/81/232292081.db2.gz SXFPEXSZPRFNTP-CVEARBPZSA-N 2 1 290.451 3.043 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000113514904 345960869 /nfs/dbraw/zinc/96/08/69/345960869.db2.gz RTAPLQBITWJEJQ-INIZCTEOSA-N 2 1 274.452 3.368 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174515531 232302113 /nfs/dbraw/zinc/30/21/13/232302113.db2.gz LHJBNCVJZSUZDO-ZBFHGGJFSA-N 2 1 298.430 3.421 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174515531 232302115 /nfs/dbraw/zinc/30/21/15/232302115.db2.gz LHJBNCVJZSUZDO-ZBFHGGJFSA-N 2 1 298.430 3.421 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(C)cc1C ZINC000136354517 346091036 /nfs/dbraw/zinc/09/10/36/346091036.db2.gz ISQKQOBLWWKNKJ-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)cc1C ZINC000136354517 346091041 /nfs/dbraw/zinc/09/10/41/346091041.db2.gz ISQKQOBLWWKNKJ-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)cc1C ZINC000136354517 346091044 /nfs/dbraw/zinc/09/10/44/346091044.db2.gz ISQKQOBLWWKNKJ-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000174206973 346239305 /nfs/dbraw/zinc/23/93/05/346239305.db2.gz FXNRNJCWQTZMCW-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222437883 346299474 /nfs/dbraw/zinc/29/94/74/346299474.db2.gz JTKQENXSUNAKSV-MGPQQGTHSA-N 2 1 292.389 3.427 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000231746734 346323663 /nfs/dbraw/zinc/32/36/63/346323663.db2.gz CBTJMOUUGPPLKZ-AWEZNQCLSA-N 2 1 280.843 3.468 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000236006322 346338418 /nfs/dbraw/zinc/33/84/18/346338418.db2.gz HUKFLWKNCZOVDI-ZDUSSCGKSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000236006322 346338420 /nfs/dbraw/zinc/33/84/20/346338420.db2.gz HUKFLWKNCZOVDI-ZDUSSCGKSA-N 2 1 278.827 3.222 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000250483817 346385449 /nfs/dbraw/zinc/38/54/49/346385449.db2.gz DGUVWTDCVYPGQM-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251639895 346389574 /nfs/dbraw/zinc/38/95/74/346389574.db2.gz FCNYOUWMOYZOPY-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300138332 346435994 /nfs/dbraw/zinc/43/59/94/346435994.db2.gz NBOHJGHOJFWTML-KFWWJZLASA-N 2 1 252.446 3.131 20 0 CGADMP C/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658317 346555578 /nfs/dbraw/zinc/55/55/78/346555578.db2.gz WAAIRWRDMCHDDW-NSWPXQNRSA-N 2 1 258.409 3.205 20 0 CGADMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658317 346555582 /nfs/dbraw/zinc/55/55/82/346555582.db2.gz WAAIRWRDMCHDDW-NSWPXQNRSA-N 2 1 258.409 3.205 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000584584663 346685049 /nfs/dbraw/zinc/68/50/49/346685049.db2.gz BVRHVVZESDOOFR-LLVKDONJSA-N 2 1 256.340 3.004 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624120776 349978056 /nfs/dbraw/zinc/97/80/56/349978056.db2.gz GVIZGTNBWLCKDY-JSGCOSHPSA-N 2 1 295.496 3.396 20 0 CGADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120758 349978347 /nfs/dbraw/zinc/97/83/47/349978347.db2.gz GJVTVSSARBGRQG-HOTGVXAUSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cn1 ZINC000624122292 349981501 /nfs/dbraw/zinc/98/15/01/349981501.db2.gz NWIQGNRCNXGYBR-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000624122292 349981503 /nfs/dbraw/zinc/98/15/03/349981503.db2.gz NWIQGNRCNXGYBR-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1F ZINC000624121782 349980625 /nfs/dbraw/zinc/98/06/25/349980625.db2.gz CXANLEBDAAXENN-KBPBESRZSA-N 2 1 294.414 3.217 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000624123070 349981885 /nfs/dbraw/zinc/98/18/85/349981885.db2.gz FHYGTUOJPDOICU-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000624123670 349982435 /nfs/dbraw/zinc/98/24/35/349982435.db2.gz QGFKRXGOCCBRCU-BZUAXINKSA-N 2 1 296.499 3.290 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000624123956 349983048 /nfs/dbraw/zinc/98/30/48/349983048.db2.gz USSALYUKKLVZDD-KDOFPFPSSA-N 2 1 288.435 3.091 20 0 CGADMP Cc1nc2ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc2s1 ZINC000339411257 215155055 /nfs/dbraw/zinc/15/50/55/215155055.db2.gz XJMCQJBGKYVTSM-CQSZACIVSA-N 2 1 291.464 3.410 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339429050 215162213 /nfs/dbraw/zinc/16/22/13/215162213.db2.gz VCDSEOWJSFVYCN-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339429050 215162217 /nfs/dbraw/zinc/16/22/17/215162217.db2.gz VCDSEOWJSFVYCN-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429050 215162219 /nfs/dbraw/zinc/16/22/19/215162219.db2.gz VCDSEOWJSFVYCN-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429050 215162222 /nfs/dbraw/zinc/16/22/22/215162222.db2.gz VCDSEOWJSFVYCN-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP CC1(C)CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000608057066 348279585 /nfs/dbraw/zinc/27/95/85/348279585.db2.gz BQGHUEVDTYWYOI-QGZVFWFLSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](F)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000339492208 215206598 /nfs/dbraw/zinc/20/65/98/215206598.db2.gz FAWHUTBTTLQKKP-CQSZACIVSA-N 2 1 296.405 3.170 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH+]c2c1 ZINC000613537269 348616399 /nfs/dbraw/zinc/61/63/99/348616399.db2.gz JQLAJOHWVRRVGX-JKSUJKDBSA-N 2 1 295.430 3.312 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)[nH+]c2c1 ZINC000613537269 348616401 /nfs/dbraw/zinc/61/64/01/348616401.db2.gz JQLAJOHWVRRVGX-JKSUJKDBSA-N 2 1 295.430 3.312 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054973 233048024 /nfs/dbraw/zinc/04/80/24/233048024.db2.gz BIJOWRVEUMPBEW-HBUWYVDXSA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054973 233048026 /nfs/dbraw/zinc/04/80/26/233048026.db2.gz BIJOWRVEUMPBEW-HBUWYVDXSA-N 2 1 283.419 3.053 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000358141837 233064121 /nfs/dbraw/zinc/06/41/21/233064121.db2.gz ZXEVZMXXFRUDKS-GJZGRUSLSA-N 2 1 296.817 3.238 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000358090202 233056898 /nfs/dbraw/zinc/05/68/98/233056898.db2.gz WEZCZWMMFKOOKO-SCLBCKFNSA-N 2 1 283.419 3.413 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC1CCCC1 ZINC000358102095 233058204 /nfs/dbraw/zinc/05/82/04/233058204.db2.gz VOKJYRKSZBZEHL-KBPBESRZSA-N 2 1 263.429 3.386 20 0 CGADMP Fc1ccc(C[N@@H+](CCC2CC[NH2+]CC2)CC2CC2)cc1 ZINC000359225864 233281776 /nfs/dbraw/zinc/28/17/76/233281776.db2.gz UYTMSUDZJACLCW-UHFFFAOYSA-N 2 1 290.426 3.427 20 0 CGADMP Cc1cccnc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000359726721 233367233 /nfs/dbraw/zinc/36/72/33/233367233.db2.gz GXLNMQHFFZMLAQ-JKSUJKDBSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cccnc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000359726721 233367234 /nfs/dbraw/zinc/36/72/34/233367234.db2.gz GXLNMQHFFZMLAQ-JKSUJKDBSA-N 2 1 287.451 3.133 20 0 CGADMP CC[N@@H+](CCOCC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062797 350254787 /nfs/dbraw/zinc/25/47/87/350254787.db2.gz GWUSAIUVDOAFPN-UHFFFAOYSA-N 2 1 292.467 3.243 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@]2(C)CCCS2)CC1 ZINC000628128528 350403559 /nfs/dbraw/zinc/40/35/59/350403559.db2.gz JGDXRTVNDRDGDK-OAHLLOKOSA-N 2 1 270.486 3.077 20 0 CGADMP C[C@@]1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCS1 ZINC000628184548 350428985 /nfs/dbraw/zinc/42/89/85/350428985.db2.gz PTRZPLUHRZJXDX-CVEARBPZSA-N 2 1 282.497 3.080 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628186718 350429851 /nfs/dbraw/zinc/42/98/51/350429851.db2.gz UNMNNDPFOHVZQG-KRWDZBQOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628186718 350429854 /nfs/dbraw/zinc/42/98/54/350429854.db2.gz UNMNNDPFOHVZQG-KRWDZBQOSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000628186718 350429856 /nfs/dbraw/zinc/42/98/56/350429856.db2.gz UNMNNDPFOHVZQG-KRWDZBQOSA-N 2 1 297.446 3.332 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000628214922 350444358 /nfs/dbraw/zinc/44/43/58/350444358.db2.gz RMGCKSOIJDIBFJ-HZPDHXFCSA-N 2 1 260.425 3.030 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000628214479 350444431 /nfs/dbraw/zinc/44/44/31/350444431.db2.gz ZFMADGVUDZYEMH-UHFFFAOYSA-N 2 1 299.418 3.294 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000628214479 350444434 /nfs/dbraw/zinc/44/44/34/350444434.db2.gz ZFMADGVUDZYEMH-UHFFFAOYSA-N 2 1 299.418 3.294 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261554713 290264416 /nfs/dbraw/zinc/26/44/16/290264416.db2.gz BCRXUZRKLISYNJ-MPXAEWJHSA-N 2 1 264.800 3.070 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537729 350706055 /nfs/dbraw/zinc/70/60/55/350706055.db2.gz KPKLWEXRUGJMQU-XYPHTWIQSA-N 2 1 278.415 3.123 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)c1ccccc1 ZINC000629542096 350707321 /nfs/dbraw/zinc/70/73/21/350707321.db2.gz YHNLHIFWSAMZSF-YCPHGPKFSA-N 2 1 260.425 3.083 20 0 CGADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC000629571697 350713980 /nfs/dbraw/zinc/71/39/80/350713980.db2.gz PBPXUGXRPMSBOD-OAHLLOKOSA-N 2 1 286.419 3.069 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000629407115 350689167 /nfs/dbraw/zinc/68/91/67/350689167.db2.gz UOKVHPKPVAKAAR-OXJNMPFZSA-N 2 1 294.442 3.180 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000629408663 350689213 /nfs/dbraw/zinc/68/92/13/350689213.db2.gz YFUZHELEXFMREH-DANNLKNASA-N 2 1 278.827 3.316 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000629407685 350689596 /nfs/dbraw/zinc/68/95/96/350689596.db2.gz HYTNBPNKCHMEFF-YUDUHTQSSA-N 2 1 278.827 3.316 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000631035645 350933022 /nfs/dbraw/zinc/93/30/22/350933022.db2.gz NNFMAJAEWFBQJD-AATRIKPKSA-N 2 1 272.436 3.309 20 0 CGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)on1 ZINC000631041882 350934963 /nfs/dbraw/zinc/93/49/63/350934963.db2.gz LJZUWOTWCBZASV-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)on1 ZINC000631041882 350934965 /nfs/dbraw/zinc/93/49/65/350934965.db2.gz LJZUWOTWCBZASV-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC000631045852 350935674 /nfs/dbraw/zinc/93/56/74/350935674.db2.gz WCGOWOWZBUWOTL-CQSZACIVSA-N 2 1 286.394 3.410 20 0 CGADMP Cc1scc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1C ZINC000631054441 350937925 /nfs/dbraw/zinc/93/79/25/350937925.db2.gz PTHYANCFPIUXDE-UHFFFAOYSA-N 2 1 278.465 3.471 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH2+]CCc2c[nH+]cn2C)cc1C ZINC000631180021 350980994 /nfs/dbraw/zinc/98/09/94/350980994.db2.gz LXLQZFFUZQBGCV-AATRIKPKSA-N 2 1 283.419 3.191 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000631653457 351107107 /nfs/dbraw/zinc/10/71/07/351107107.db2.gz USUBNRZEVSXTMN-QZTJIDSGSA-N 2 1 272.436 3.397 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(C)ccn1 ZINC000631633565 351098768 /nfs/dbraw/zinc/09/87/68/351098768.db2.gz SUBUUVCZULKAAC-HMQMGEFJSA-N 2 1 287.451 3.446 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)ccn1 ZINC000631633565 351098770 /nfs/dbraw/zinc/09/87/70/351098770.db2.gz SUBUUVCZULKAAC-HMQMGEFJSA-N 2 1 287.451 3.446 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000631826470 351148507 /nfs/dbraw/zinc/14/85/07/351148507.db2.gz ODGIPKLCKJMDSO-ZNMIVQPWSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC[N@@H+]1C ZINC000631739294 351133333 /nfs/dbraw/zinc/13/33/33/351133333.db2.gz LCRZJCHLISGOSE-JYYAWHABSA-N 2 1 290.476 3.382 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC[N@H+]1C ZINC000631739294 351133334 /nfs/dbraw/zinc/13/33/34/351133334.db2.gz LCRZJCHLISGOSE-JYYAWHABSA-N 2 1 290.476 3.382 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000291374554 198003925 /nfs/dbraw/zinc/00/39/25/198003925.db2.gz YYUFMFVENFXQOS-QZTJIDSGSA-N 2 1 270.420 3.089 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634678597 351564137 /nfs/dbraw/zinc/56/41/37/351564137.db2.gz ZCZVDHRWJKTYQB-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000634683534 351570019 /nfs/dbraw/zinc/57/00/19/351570019.db2.gz SVFNHCGPWFQMRU-JYJNAYRXSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000339844412 215360220 /nfs/dbraw/zinc/36/02/20/215360220.db2.gz YATHDPCIBYVSLD-WMZOPIPTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000339844412 215360222 /nfs/dbraw/zinc/36/02/22/215360222.db2.gz YATHDPCIBYVSLD-WMZOPIPTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000339844412 215360225 /nfs/dbraw/zinc/36/02/25/215360225.db2.gz YATHDPCIBYVSLD-WMZOPIPTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123362315 187087485 /nfs/dbraw/zinc/08/74/85/187087485.db2.gz QAFZHECUJZJBBS-TZMCWYRMSA-N 2 1 272.392 3.314 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123362315 187087486 /nfs/dbraw/zinc/08/74/86/187087486.db2.gz QAFZHECUJZJBBS-TZMCWYRMSA-N 2 1 272.392 3.314 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000271506850 191182510 /nfs/dbraw/zinc/18/25/10/191182510.db2.gz MTMBSGLWQDJSFR-OLZOCXBDSA-N 2 1 295.390 3.316 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000271506852 191182650 /nfs/dbraw/zinc/18/26/50/191182650.db2.gz MTMBSGLWQDJSFR-QWHCGFSZSA-N 2 1 295.390 3.316 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnccc1C ZINC000271580363 191225309 /nfs/dbraw/zinc/22/53/09/191225309.db2.gz RFWWCZWXBLBSIB-CQSZACIVSA-N 2 1 272.396 3.026 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000271624818 191245264 /nfs/dbraw/zinc/24/52/64/191245264.db2.gz BXTGIDBTUXWUFB-QGZVFWFLSA-N 2 1 269.392 3.241 20 0 CGADMP C[C@H](NCc1cnc2n1CCCC2)c1ccccc1N(C)C ZINC000367438513 234215544 /nfs/dbraw/zinc/21/55/44/234215544.db2.gz NKKHYLBTYGHMFO-AWEZNQCLSA-N 2 1 298.434 3.136 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262936 198223344 /nfs/dbraw/zinc/22/33/44/198223344.db2.gz YWBKYDDOOWIDRV-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262936 198223346 /nfs/dbraw/zinc/22/33/46/198223346.db2.gz YWBKYDDOOWIDRV-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262936 198223347 /nfs/dbraw/zinc/22/33/47/198223347.db2.gz YWBKYDDOOWIDRV-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000152951926 188054897 /nfs/dbraw/zinc/05/48/97/188054897.db2.gz VNAUBWHAPZQMRS-LZLYRXPVSA-N 2 1 290.451 3.082 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000156209590 188249872 /nfs/dbraw/zinc/24/98/72/188249872.db2.gz SWRHUEDHELMAAD-HLLBOEOZSA-N 2 1 260.425 3.253 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000157080693 188296429 /nfs/dbraw/zinc/29/64/29/188296429.db2.gz YJLSBHKCGMFNOZ-IOASZLSFSA-N 2 1 280.843 3.201 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)cc1 ZINC000156417366 188260432 /nfs/dbraw/zinc/26/04/32/188260432.db2.gz JPSSPIWJYXWXFX-RDTXWAMCSA-N 2 1 299.418 3.400 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271894450 191394959 /nfs/dbraw/zinc/39/49/59/191394959.db2.gz SYIUNYXGDVHHTO-LBPRGKRZSA-N 2 1 293.480 3.487 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+](C)C)ccc1C(F)(F)F ZINC000414243193 235372283 /nfs/dbraw/zinc/37/22/83/235372283.db2.gz OJZCHKXTSDWPSK-UHFFFAOYSA-N 2 1 274.330 3.055 20 0 CGADMP CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273773898 192301077 /nfs/dbraw/zinc/30/10/77/192301077.db2.gz RMEHQJQFYDQOJB-WBVHZDCISA-N 2 1 292.492 3.382 20 0 CGADMP CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273773898 192301078 /nfs/dbraw/zinc/30/10/78/192301078.db2.gz RMEHQJQFYDQOJB-WBVHZDCISA-N 2 1 292.492 3.382 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868694 138356143 /nfs/dbraw/zinc/35/61/43/138356143.db2.gz TZFWQBZERAFJHG-UONOGXRCSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868694 138356144 /nfs/dbraw/zinc/35/61/44/138356144.db2.gz TZFWQBZERAFJHG-UONOGXRCSA-N 2 1 296.361 3.004 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000111380736 138363821 /nfs/dbraw/zinc/36/38/21/138363821.db2.gz WUWQQYZVISCSGV-CQSZACIVSA-N 2 1 286.341 3.409 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000111380736 138363822 /nfs/dbraw/zinc/36/38/22/138363822.db2.gz WUWQQYZVISCSGV-CQSZACIVSA-N 2 1 286.341 3.409 20 0 CGADMP Cc1ccc2ncc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC000336279173 213116881 /nfs/dbraw/zinc/11/68/81/213116881.db2.gz UTDBRLZCGPULCZ-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2ncc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC000336279173 213116883 /nfs/dbraw/zinc/11/68/83/213116883.db2.gz UTDBRLZCGPULCZ-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000336279173 213116885 /nfs/dbraw/zinc/11/68/85/213116885.db2.gz UTDBRLZCGPULCZ-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000336279173 213116886 /nfs/dbraw/zinc/11/68/86/213116886.db2.gz UTDBRLZCGPULCZ-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000187005002 138445810 /nfs/dbraw/zinc/44/58/10/138445810.db2.gz IVOMHDHCEJZTGC-ILXRZTDVSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000187005002 138445811 /nfs/dbraw/zinc/44/58/11/138445811.db2.gz IVOMHDHCEJZTGC-ILXRZTDVSA-N 2 1 284.513 3.228 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1F ZINC000423278021 236019633 /nfs/dbraw/zinc/01/96/33/236019633.db2.gz QJJDABOYPIBMAU-GWCFXTLKSA-N 2 1 270.417 3.182 20 0 CGADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423314386 236034450 /nfs/dbraw/zinc/03/44/50/236034450.db2.gz GXSGIUFOCMETBU-QZTJIDSGSA-N 2 1 290.451 3.499 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423326390 236038924 /nfs/dbraw/zinc/03/89/24/236038924.db2.gz KLGQEOOQKOOUPL-XHDPSFHLSA-N 2 1 268.351 3.005 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C2CC2)cc1 ZINC000423363108 236050306 /nfs/dbraw/zinc/05/03/06/236050306.db2.gz AKVLDPJTQRACMC-WBAXXEDZSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423509998 236089340 /nfs/dbraw/zinc/08/93/40/236089340.db2.gz RUXIXEVKSLMAPE-MGHWNKPDSA-N 2 1 272.436 3.286 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000424380553 236159353 /nfs/dbraw/zinc/15/93/53/236159353.db2.gz PYBJMVWXYNPZOF-CHWSQXEVSA-N 2 1 273.207 3.353 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C/C=C/c1ccccc1)CC[NH2+]CC2 ZINC000424386136 236159396 /nfs/dbraw/zinc/15/93/96/236159396.db2.gz XAWNZRKVANVMBJ-CDVVCGDMSA-N 2 1 270.420 3.164 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(OC(F)F)cc1 ZINC000424338210 236153163 /nfs/dbraw/zinc/15/31/63/236153163.db2.gz UEVCKQAJCNMFKH-ZLKJLUDKSA-N 2 1 284.350 3.209 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)CC[N@H+]1C ZINC000294509662 199066819 /nfs/dbraw/zinc/06/68/19/199066819.db2.gz YQRYGBYPDMDPGI-JLSDUUJJSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000216207359 291122107 /nfs/dbraw/zinc/12/21/07/291122107.db2.gz AQWPKSZSLSIWQI-WDEREUQCSA-N 2 1 275.783 3.062 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC000294793665 199185781 /nfs/dbraw/zinc/18/57/81/199185781.db2.gz KVSCIXALWSTFFN-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2csc(C)c2)C1 ZINC000294793665 199185783 /nfs/dbraw/zinc/18/57/83/199185783.db2.gz KVSCIXALWSTFFN-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC000294793665 199185785 /nfs/dbraw/zinc/18/57/85/199185785.db2.gz KVSCIXALWSTFFN-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC000294793665 199185786 /nfs/dbraw/zinc/18/57/86/199185786.db2.gz KVSCIXALWSTFFN-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CSCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298023618 200319021 /nfs/dbraw/zinc/31/90/21/200319021.db2.gz DYRMNDGJWIHGDU-UHFFFAOYSA-N 2 1 290.476 3.266 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000420404174 283520088 /nfs/dbraw/zinc/52/00/88/283520088.db2.gz LTQPASQAFBSTHG-CQSZACIVSA-N 2 1 270.367 3.251 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OC)c2)CC1 ZINC000177051218 189023983 /nfs/dbraw/zinc/02/39/83/189023983.db2.gz AOVMUBRXOFGETD-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2)CC1 ZINC000177051218 189023984 /nfs/dbraw/zinc/02/39/84/189023984.db2.gz AOVMUBRXOFGETD-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000341938601 216159060 /nfs/dbraw/zinc/15/90/60/216159060.db2.gz DCZGENAFZUKBQV-CYBMUJFWSA-N 2 1 275.371 3.298 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000341969463 216170791 /nfs/dbraw/zinc/17/07/91/216170791.db2.gz PDTZYPMJLHSMCL-SLEUVZQESA-N 2 1 296.455 3.366 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000341969463 216170793 /nfs/dbraw/zinc/17/07/93/216170793.db2.gz PDTZYPMJLHSMCL-SLEUVZQESA-N 2 1 296.455 3.366 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCC1 ZINC000178619840 189131640 /nfs/dbraw/zinc/13/16/40/189131640.db2.gz XHCINXDKPORZBE-WMZOPIPTSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000178705341 189138621 /nfs/dbraw/zinc/13/86/21/189138621.db2.gz QGBUUWASKDSIIZ-QWHCGFSZSA-N 2 1 275.371 3.318 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000178702212 189138967 /nfs/dbraw/zinc/13/89/67/189138967.db2.gz BNHHCOFHOIRXMJ-MNOVXSKESA-N 2 1 292.452 3.252 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178974273 189158833 /nfs/dbraw/zinc/15/88/33/189158833.db2.gz PFXADUGCTGXJFL-ZDUSSCGKSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)o1 ZINC000119371231 370671281 /nfs/dbraw/zinc/67/12/81/370671281.db2.gz FBRNZYTWEDUGHZ-CYBMUJFWSA-N 2 1 276.424 3.421 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000342271835 216284937 /nfs/dbraw/zinc/28/49/37/216284937.db2.gz YNBCLUCMPGPLTF-MRXNPFEDSA-N 2 1 293.361 3.457 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-n2cccn2)cc1 ZINC000180855433 189280235 /nfs/dbraw/zinc/28/02/35/189280235.db2.gz KIOWFWMMDBCMSN-DOTOQJQBSA-N 2 1 298.434 3.007 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccnc1 ZINC000183187257 189350048 /nfs/dbraw/zinc/35/00/48/189350048.db2.gz CUXZBFIFSQLQPD-YQQAZPJKSA-N 2 1 287.451 3.385 20 0 CGADMP CC(C)[NH+](CCCNc1[nH]c2ccccc2[nH+]1)C(C)C ZINC000301868179 201239296 /nfs/dbraw/zinc/23/92/96/201239296.db2.gz HVMFRTHNUSJFKP-UHFFFAOYSA-N 2 1 274.412 3.484 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000449061311 239149002 /nfs/dbraw/zinc/14/90/02/239149002.db2.gz IFDOWAFGKSDEIJ-HUUCEWRRSA-N 2 1 264.413 3.065 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000449074201 239159600 /nfs/dbraw/zinc/15/96/00/239159600.db2.gz TZKHFUBPCKPDSJ-MRXNPFEDSA-N 2 1 298.430 3.249 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000449074201 239159603 /nfs/dbraw/zinc/15/96/03/239159603.db2.gz TZKHFUBPCKPDSJ-MRXNPFEDSA-N 2 1 298.430 3.249 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449087612 239169087 /nfs/dbraw/zinc/16/90/87/239169087.db2.gz GONASADNMTUSDX-IIAWOOMASA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449105897 239182214 /nfs/dbraw/zinc/18/22/14/239182214.db2.gz FOFLQXQWODJIMV-UHFFFAOYSA-N 2 1 291.439 3.052 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC000449107813 239184514 /nfs/dbraw/zinc/18/45/14/239184514.db2.gz OCGCTLJEJCGFAW-HZPDHXFCSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449177437 239226647 /nfs/dbraw/zinc/22/66/47/239226647.db2.gz VOBZJMVNZOJAAE-RHSMWYFYSA-N 2 1 276.424 3.065 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000449177437 239226650 /nfs/dbraw/zinc/22/66/50/239226650.db2.gz VOBZJMVNZOJAAE-RHSMWYFYSA-N 2 1 276.424 3.065 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1F ZINC000449328362 239317965 /nfs/dbraw/zinc/31/79/65/239317965.db2.gz FLFISSSHTMIGGC-GOEBONIOSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1F ZINC000449328362 239317970 /nfs/dbraw/zinc/31/79/70/239317970.db2.gz FLFISSSHTMIGGC-GOEBONIOSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1F ZINC000449328362 239317974 /nfs/dbraw/zinc/31/79/74/239317974.db2.gz FLFISSSHTMIGGC-GOEBONIOSA-N 2 1 276.399 3.050 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000537648070 376189950 /nfs/dbraw/zinc/18/99/50/376189950.db2.gz QXHLAFMBQDLIKB-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CC(C)(C)C ZINC000120075445 370735920 /nfs/dbraw/zinc/73/59/20/370735920.db2.gz WOEVSPPBZBJLIS-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000120075445 370735923 /nfs/dbraw/zinc/73/59/23/370735923.db2.gz WOEVSPPBZBJLIS-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000537648070 376189954 /nfs/dbraw/zinc/18/99/54/376189954.db2.gz QXHLAFMBQDLIKB-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000537648070 376189962 /nfs/dbraw/zinc/18/99/62/376189962.db2.gz QXHLAFMBQDLIKB-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000120075445 370735924 /nfs/dbraw/zinc/73/59/24/370735924.db2.gz WOEVSPPBZBJLIS-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1ccc2cc([C@@H](C)[NH2+]C3CC[NH2+]CC3)oc2c1 ZINC000335568422 212278217 /nfs/dbraw/zinc/27/82/17/212278217.db2.gz LLYAUEJIZKWNMS-GFCCVEGCSA-N 2 1 258.365 3.144 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccccc1)C2 ZINC000275500549 193059545 /nfs/dbraw/zinc/05/95/45/193059545.db2.gz JOWPYOXVOOZINT-NJAFHUGGSA-N 2 1 295.430 3.371 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC000120977648 370819813 /nfs/dbraw/zinc/81/98/13/370819813.db2.gz QATWSJOBJKRUEV-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC[NH2+]C1 ZINC000261716684 291380729 /nfs/dbraw/zinc/38/07/29/291380729.db2.gz FFOAYXDBFPBEKS-OLZOCXBDSA-N 2 1 290.373 3.041 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000459535610 242125690 /nfs/dbraw/zinc/12/56/90/242125690.db2.gz VYAYIYMCWKRNLN-KRWDZBQOSA-N 2 1 284.447 3.431 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCCCOc2ccccc2)C1 ZINC000459785719 242232321 /nfs/dbraw/zinc/23/23/21/242232321.db2.gz PCIJMVXOVUDNQJ-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CC(C)C(C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000459795507 242236382 /nfs/dbraw/zinc/23/63/82/242236382.db2.gz VMBLKIVSQQZEKH-HNNXBMFYSA-N 2 1 254.462 3.236 20 0 CGADMP Cc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C)c1 ZINC000121783042 370894700 /nfs/dbraw/zinc/89/47/00/370894700.db2.gz UALQAFIUAQLVDS-UHFFFAOYSA-N 2 1 297.446 3.492 20 0 CGADMP Cc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1C ZINC000121775625 370894966 /nfs/dbraw/zinc/89/49/66/370894966.db2.gz GBPUNSWNOIJMTK-UHFFFAOYSA-N 2 1 297.446 3.492 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(F)c1 ZINC000275945706 193170826 /nfs/dbraw/zinc/17/08/26/193170826.db2.gz ZTDQFGFOFIUIDF-HNNXBMFYSA-N 2 1 261.344 3.072 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479484221 243106786 /nfs/dbraw/zinc/10/67/86/243106786.db2.gz AATTUJISIHEUQO-UWIFEVILSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000479484221 243106790 /nfs/dbraw/zinc/10/67/90/243106790.db2.gz AATTUJISIHEUQO-UWIFEVILSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479534919 243111190 /nfs/dbraw/zinc/11/11/90/243111190.db2.gz FWCVTTCZPVCASO-KCMWZYNZSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000479534919 243111193 /nfs/dbraw/zinc/11/11/93/243111193.db2.gz FWCVTTCZPVCASO-KCMWZYNZSA-N 2 1 290.426 3.392 20 0 CGADMP CC[N@H+]1C[C@H](N[C@@H](C)c2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000480631442 243158118 /nfs/dbraw/zinc/15/81/18/243158118.db2.gz QSRCJPHZLRSZSU-MPGHIAIKSA-N 2 1 290.451 3.465 20 0 CGADMP CC[N@@H+]1C[C@H](N[C@@H](C)c2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000480631442 243158120 /nfs/dbraw/zinc/15/81/20/243158120.db2.gz QSRCJPHZLRSZSU-MPGHIAIKSA-N 2 1 290.451 3.465 20 0 CGADMP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000480712663 243161334 /nfs/dbraw/zinc/16/13/34/243161334.db2.gz KJCHJVVSQNHVKW-CRAIPNDOSA-N 2 1 290.451 3.295 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000481322244 243186959 /nfs/dbraw/zinc/18/69/59/243186959.db2.gz ZKJAGHIUKSQMCV-OLZOCXBDSA-N 2 1 278.465 3.229 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000019912883 368782575 /nfs/dbraw/zinc/78/25/75/368782575.db2.gz YYBANPIGWAXPNB-INIZCTEOSA-N 2 1 260.425 3.349 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036937383 369041685 /nfs/dbraw/zinc/04/16/85/369041685.db2.gz XJHAWKONRYRDRZ-ZDUSSCGKSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000037648852 369094919 /nfs/dbraw/zinc/09/49/19/369094919.db2.gz PKMNDOOIMHWOES-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)COC)C1 ZINC000494017503 244258002 /nfs/dbraw/zinc/25/80/02/244258002.db2.gz MYKHIRXBBPBNFL-HNNXBMFYSA-N 2 1 284.488 3.149 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)COC)C1 ZINC000494017503 244258007 /nfs/dbraw/zinc/25/80/07/244258007.db2.gz MYKHIRXBBPBNFL-HNNXBMFYSA-N 2 1 284.488 3.149 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000494504691 244294392 /nfs/dbraw/zinc/29/43/92/244294392.db2.gz ARYVUFWHLMSRLG-DOTOQJQBSA-N 2 1 290.451 3.002 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000048326934 369341148 /nfs/dbraw/zinc/34/11/48/369341148.db2.gz UATSBQCAGXNXJM-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP CC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000063144345 369641991 /nfs/dbraw/zinc/64/19/91/369641991.db2.gz XTLGQIVRCHHPOO-SVFSVNPNSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000069754028 369769206 /nfs/dbraw/zinc/76/92/06/369769206.db2.gz WVMQVCBZIZGAIK-UHFFFAOYSA-N 2 1 297.324 3.390 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3ccccc3n2)C1 ZINC000072861032 369840653 /nfs/dbraw/zinc/84/06/53/369840653.db2.gz PQOVQEKFHAYEGL-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3ccccc3n2)C1 ZINC000072861032 369840659 /nfs/dbraw/zinc/84/06/59/369840659.db2.gz PQOVQEKFHAYEGL-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000072861032 369840665 /nfs/dbraw/zinc/84/06/65/369840665.db2.gz PQOVQEKFHAYEGL-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000072861032 369840669 /nfs/dbraw/zinc/84/06/69/369840669.db2.gz PQOVQEKFHAYEGL-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000070150155 369781897 /nfs/dbraw/zinc/78/18/97/369781897.db2.gz VPYUQOOFASNSIL-MRXNPFEDSA-N 2 1 287.382 3.077 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000070171872 369786893 /nfs/dbraw/zinc/78/68/93/369786893.db2.gz RHOAZGPWTACJCW-RDTXWAMCSA-N 2 1 268.404 3.399 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000090721660 370067153 /nfs/dbraw/zinc/06/71/53/370067153.db2.gz RMISWLVNSHVBOF-PRLABOORSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000090721660 370067156 /nfs/dbraw/zinc/06/71/56/370067156.db2.gz RMISWLVNSHVBOF-PRLABOORSA-N 2 1 252.446 3.274 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)[nH]1 ZINC000093604583 370146240 /nfs/dbraw/zinc/14/62/40/370146240.db2.gz GCZAPHAHZNZONE-HNNXBMFYSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644469 370151735 /nfs/dbraw/zinc/15/17/35/370151735.db2.gz BTEBWCKARRCSRR-CZUORRHYSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644469 370151739 /nfs/dbraw/zinc/15/17/39/370151739.db2.gz BTEBWCKARRCSRR-CZUORRHYSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644469 370151741 /nfs/dbraw/zinc/15/17/41/370151741.db2.gz BTEBWCKARRCSRR-CZUORRHYSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644469 370151745 /nfs/dbraw/zinc/15/17/45/370151745.db2.gz BTEBWCKARRCSRR-CZUORRHYSA-N 2 1 264.388 3.049 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000093770394 370157734 /nfs/dbraw/zinc/15/77/34/370157734.db2.gz QCEMFSFFTCFUIX-FXFXYLOPSA-N 2 1 272.436 3.364 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000093770394 370157741 /nfs/dbraw/zinc/15/77/41/370157741.db2.gz QCEMFSFFTCFUIX-FXFXYLOPSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093770394 370157745 /nfs/dbraw/zinc/15/77/45/370157745.db2.gz QCEMFSFFTCFUIX-FXFXYLOPSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093770394 370157748 /nfs/dbraw/zinc/15/77/48/370157748.db2.gz QCEMFSFFTCFUIX-FXFXYLOPSA-N 2 1 272.436 3.364 20 0 CGADMP C[N@@H+](Cc1c(F)cccc1Cl)CC1CC[NH+](C)CC1 ZINC000104086386 370337498 /nfs/dbraw/zinc/33/74/98/370337498.db2.gz ILNJURFYGXGBDU-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@H+](Cc1c(F)cccc1Cl)CC1CC[NH+](C)CC1 ZINC000104086386 370337502 /nfs/dbraw/zinc/33/75/02/370337502.db2.gz ILNJURFYGXGBDU-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP CCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512239685 245028845 /nfs/dbraw/zinc/02/88/45/245028845.db2.gz ATZIFNUKFKUHJD-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP CCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512239685 245028856 /nfs/dbraw/zinc/02/88/56/245028856.db2.gz ATZIFNUKFKUHJD-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP CCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512239685 245028861 /nfs/dbraw/zinc/02/88/61/245028861.db2.gz ATZIFNUKFKUHJD-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000513673920 245089370 /nfs/dbraw/zinc/08/93/70/245089370.db2.gz ZSKNPJHQPWRRTD-LKIAZTKLSA-N 2 1 284.447 3.395 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105373 245109565 /nfs/dbraw/zinc/10/95/65/245109565.db2.gz QYCDXNHFWWAXMS-UONOGXRCSA-N 2 1 296.405 3.217 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842822 370627914 /nfs/dbraw/zinc/62/79/14/370627914.db2.gz XNGPFOWGCQTWFX-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842822 370627917 /nfs/dbraw/zinc/62/79/17/370627917.db2.gz XNGPFOWGCQTWFX-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842822 370627921 /nfs/dbraw/zinc/62/79/21/370627921.db2.gz XNGPFOWGCQTWFX-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129805156 371000845 /nfs/dbraw/zinc/00/08/45/371000845.db2.gz HABHHZHMNUYQQK-RBSFLKMASA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129805156 371000850 /nfs/dbraw/zinc/00/08/50/371000850.db2.gz HABHHZHMNUYQQK-RBSFLKMASA-N 2 1 276.424 3.137 20 0 CGADMP CC[NH2+]CC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000129985691 371008595 /nfs/dbraw/zinc/00/85/95/371008595.db2.gz AWWQQJQDXMNPCQ-UHFFFAOYSA-N 2 1 295.496 3.262 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000130195119 371016377 /nfs/dbraw/zinc/01/63/77/371016377.db2.gz TYYKGRVVWLLSRN-FPMFFAJLSA-N 2 1 279.453 3.037 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000130195119 371016382 /nfs/dbraw/zinc/01/63/82/371016382.db2.gz TYYKGRVVWLLSRN-FPMFFAJLSA-N 2 1 279.453 3.037 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000132229067 371159187 /nfs/dbraw/zinc/15/91/87/371159187.db2.gz HCZZDDZMSMVNOU-ZFWWWQNUSA-N 2 1 284.403 3.018 20 0 CGADMP CC(C)Oc1cccc(CN(C)CC[C@@H]2CCC[N@H+]2C)c1 ZINC000133118372 371227502 /nfs/dbraw/zinc/22/75/02/371227502.db2.gz ZYPBVKKDHDEBBS-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000133118372 371227505 /nfs/dbraw/zinc/22/75/05/371227505.db2.gz ZYPBVKKDHDEBBS-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000133118372 371227508 /nfs/dbraw/zinc/22/75/08/371227508.db2.gz ZYPBVKKDHDEBBS-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000133118372 371227510 /nfs/dbraw/zinc/22/75/10/371227510.db2.gz ZYPBVKKDHDEBBS-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)c1 ZINC000133118372 371227512 /nfs/dbraw/zinc/22/75/12/371227512.db2.gz ZYPBVKKDHDEBBS-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2C)[C@H](C)C1 ZINC000132936761 371213324 /nfs/dbraw/zinc/21/33/24/371213324.db2.gz FYXFGBOXLOYQAI-IAGOWNOFSA-N 2 1 290.451 3.084 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]CC1([NH3+])CCCCC1)CCC2 ZINC000331889722 204265383 /nfs/dbraw/zinc/26/53/83/204265383.db2.gz WABCKAFSMZDPDB-LBPRGKRZSA-N 2 1 293.480 3.334 20 0 CGADMP Cc1cnc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000537851148 376204910 /nfs/dbraw/zinc/20/49/10/376204910.db2.gz JQIDVAPBCAHVLB-AWEZNQCLSA-N 2 1 279.428 3.096 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000134409667 371333305 /nfs/dbraw/zinc/33/33/05/371333305.db2.gz FNUKAPAAFMPKKH-WFASDCNBSA-N 2 1 274.433 3.331 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1OC ZINC000135199326 371400298 /nfs/dbraw/zinc/40/02/98/371400298.db2.gz KCPLTAWHQJRSQH-INMHGKMJSA-N 2 1 288.435 3.363 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1OC ZINC000135199326 371400300 /nfs/dbraw/zinc/40/03/00/371400300.db2.gz KCPLTAWHQJRSQH-INMHGKMJSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000136294886 371472681 /nfs/dbraw/zinc/47/26/81/371472681.db2.gz NGHJUHLIEVYQTG-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000136294886 371472686 /nfs/dbraw/zinc/47/26/86/371472686.db2.gz NGHJUHLIEVYQTG-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000151100847 371568812 /nfs/dbraw/zinc/56/88/12/371568812.db2.gz OBSXQSPEEMBDOA-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(CC)o2)C1 ZINC000151143238 371576318 /nfs/dbraw/zinc/57/63/18/371576318.db2.gz FKIRXYZRDPZAPH-KBPBESRZSA-N 2 1 264.413 3.225 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(CC)o2)C1 ZINC000151143238 371576327 /nfs/dbraw/zinc/57/63/27/371576327.db2.gz FKIRXYZRDPZAPH-KBPBESRZSA-N 2 1 264.413 3.225 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC000421824432 371646943 /nfs/dbraw/zinc/64/69/43/371646943.db2.gz IPIAPZXMNPKAAW-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(C)c1 ZINC000287484701 371662046 /nfs/dbraw/zinc/66/20/46/371662046.db2.gz MZSBHJDNAYYPNK-DOTOQJQBSA-N 2 1 283.419 3.495 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccncc1Cl ZINC000421860984 371682724 /nfs/dbraw/zinc/68/27/24/371682724.db2.gz UVNUORPAVFFGBD-GFCCVEGCSA-N 2 1 281.831 3.260 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152450996 371695927 /nfs/dbraw/zinc/69/59/27/371695927.db2.gz COHPAJGFESAWSB-QWHCGFSZSA-N 2 1 282.378 3.299 20 0 CGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422731464 371772206 /nfs/dbraw/zinc/77/22/06/371772206.db2.gz LVBFHVIUDXDMAZ-YGRLFVJLSA-N 2 1 287.234 3.471 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337333500 214012924 /nfs/dbraw/zinc/01/29/24/214012924.db2.gz JSVXJKMLDBXPOR-SOLBZPMBSA-N 2 1 287.451 3.039 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422777909 371800919 /nfs/dbraw/zinc/80/09/19/371800919.db2.gz CTJLTHPGXJNLFO-VBNZEHGJSA-N 2 1 264.388 3.253 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422837958 371835051 /nfs/dbraw/zinc/83/50/51/371835051.db2.gz NFYOAYWTWREGME-YDHLFZDLSA-N 2 1 296.842 3.228 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1OC ZINC000422837162 371835194 /nfs/dbraw/zinc/83/51/94/371835194.db2.gz SULTWCBRUCUNRV-DXBFTMOHSA-N 2 1 274.408 3.019 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000422945715 371884922 /nfs/dbraw/zinc/88/49/22/371884922.db2.gz NTKOYIXFNAIZMA-RDTXWAMCSA-N 2 1 268.404 3.112 20 0 CGADMP CSc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422878927 371851926 /nfs/dbraw/zinc/85/19/26/371851926.db2.gz LJZPCABFYVDPFY-NSHDSACASA-N 2 1 273.405 3.067 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CCCC3)CC[NH2+]2)cc1 ZINC000422899057 371861631 /nfs/dbraw/zinc/86/16/31/371861631.db2.gz NMBXSKPETVGZJP-SJORKVTESA-N 2 1 258.409 3.260 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)c1c[nH+]ccc1N ZINC000422852943 371841311 /nfs/dbraw/zinc/84/13/11/371841311.db2.gz YIIZHGZQXXSCKB-ZDUSSCGKSA-N 2 1 299.393 3.406 20 0 CGADMP Cc1ccc(OCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422855012 371841527 /nfs/dbraw/zinc/84/15/27/371841527.db2.gz BSRDMJRETWIHKE-MOPGFXCFSA-N 2 1 296.414 3.498 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CC(c2ccccc2)C1 ZINC000422966609 371894539 /nfs/dbraw/zinc/89/45/39/371894539.db2.gz NWBMFSNRMXORJB-FFZSDIPESA-N 2 1 294.442 3.481 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000344102917 217052892 /nfs/dbraw/zinc/05/28/92/217052892.db2.gz FYRZORAYBXCVHH-GUYCJALGSA-N 2 1 286.419 3.214 20 0 CGADMP CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423005283 371911801 /nfs/dbraw/zinc/91/18/01/371911801.db2.gz RBFMBVOXOQYYBI-YCPHGPKFSA-N 2 1 278.465 3.287 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCNc2ccccc2F)c2ccccc21 ZINC000423038289 371927939 /nfs/dbraw/zinc/92/79/39/371927939.db2.gz YFWWVKRKDBOWRP-FUHWJXTLSA-N 2 1 299.393 3.362 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1(C)C ZINC000423048843 371933501 /nfs/dbraw/zinc/93/35/01/371933501.db2.gz JGMDLUVAEICQFG-LTIDMASMSA-N 2 1 288.435 3.313 20 0 CGADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000290310201 371959738 /nfs/dbraw/zinc/95/97/38/371959738.db2.gz CCQVPBOWQHZWOF-OAHLLOKOSA-N 2 1 295.390 3.011 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423096704 371960368 /nfs/dbraw/zinc/96/03/68/371960368.db2.gz IDGSVOXYUYTGIM-VNCIIQTRSA-N 2 1 272.436 3.227 20 0 CGADMP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423098524 371962519 /nfs/dbraw/zinc/96/25/19/371962519.db2.gz SCKYMISBTJEKHS-YYIAUSFCSA-N 2 1 282.472 3.090 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)c2ccccc21 ZINC000423104121 371968378 /nfs/dbraw/zinc/96/83/78/371968378.db2.gz GQZURUBSINKRBV-VXGBXAGGSA-N 2 1 270.298 3.063 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290432359 371987905 /nfs/dbraw/zinc/98/79/05/371987905.db2.gz LHJKCPCQYAVDQS-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290432359 371987909 /nfs/dbraw/zinc/98/79/09/371987909.db2.gz LHJKCPCQYAVDQS-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290432359 371987913 /nfs/dbraw/zinc/98/79/13/371987913.db2.gz LHJKCPCQYAVDQS-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423163939 371998270 /nfs/dbraw/zinc/99/82/70/371998270.db2.gz RVGUPUVWRMACKP-SWLSCSKDSA-N 2 1 278.827 3.145 20 0 CGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423084261 371954576 /nfs/dbraw/zinc/95/45/76/371954576.db2.gz HHVOLEZWDXSWJV-YMTOWFKASA-N 2 1 288.769 3.096 20 0 CGADMP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423189862 372017031 /nfs/dbraw/zinc/01/70/31/372017031.db2.gz QDUUYUCRWCXJMB-BMFZPTHFSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423190845 372017156 /nfs/dbraw/zinc/01/71/56/372017156.db2.gz RQTODHCPAPHOSN-MRXNPFEDSA-N 2 1 283.419 3.221 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423193990 372018733 /nfs/dbraw/zinc/01/87/33/372018733.db2.gz XWHGJISLHGHUFG-MSOLQXFVSA-N 2 1 289.467 3.366 20 0 CGADMP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157588573 372028271 /nfs/dbraw/zinc/02/82/71/372028271.db2.gz QIVKZTRLOJDDSY-XYQBIQKZSA-N 2 1 288.410 3.288 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2cccnc12 ZINC000344160946 217079809 /nfs/dbraw/zinc/07/98/09/217079809.db2.gz GFSLBNCUTPKXRR-ZWKOTPCHSA-N 2 1 295.430 3.260 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)CCC2 ZINC000423258350 372043752 /nfs/dbraw/zinc/04/37/52/372043752.db2.gz BKCGSEYJANIHTA-YOEHRIQHSA-N 2 1 276.424 3.036 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CCCCC1 ZINC000423260445 372044214 /nfs/dbraw/zinc/04/42/14/372044214.db2.gz HMBVKXKHJBSJNW-SJORKVTESA-N 2 1 276.399 3.310 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423256162 372044583 /nfs/dbraw/zinc/04/45/83/372044583.db2.gz BJQQIAXTNCKANO-NHYWBVRUSA-N 2 1 296.842 3.307 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2occc21)C1CCCCC1 ZINC000423271764 372045604 /nfs/dbraw/zinc/04/56/04/372045604.db2.gz YDPZKECSEFDISN-LSDHHAIUSA-N 2 1 262.397 3.154 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423325686 372052183 /nfs/dbraw/zinc/05/21/83/372052183.db2.gz MAZJQJDVJHECPQ-OSMZGAPFSA-N 2 1 286.341 3.278 20 0 CGADMP C[NH2+][C@@H](C)C[NH2+][C@H](c1ccccc1C)C1CCCC1 ZINC000423389096 372058210 /nfs/dbraw/zinc/05/82/10/372058210.db2.gz LDHFVYUCEKHSCW-YOEHRIQHSA-N 2 1 260.425 3.424 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423185553 372012385 /nfs/dbraw/zinc/01/23/85/372012385.db2.gz JOGYVMPEHMJMGA-LJQANCHMSA-N 2 1 295.430 3.147 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423521207 372070525 /nfs/dbraw/zinc/07/05/25/372070525.db2.gz GBHSXZPCPIUGOF-ZXZQKFIBSA-N 2 1 299.462 3.194 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](C2CCC2)C2CCCCC2)CC1 ZINC000424268227 372080469 /nfs/dbraw/zinc/08/04/69/372080469.db2.gz ZQIRAJPYUGPXNR-KRWDZBQOSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424302421 372082097 /nfs/dbraw/zinc/08/20/97/372082097.db2.gz ZKEDWTYPTLKZAN-MRXNPFEDSA-N 2 1 272.436 3.267 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4ncccc4c3)C2)C1 ZINC000292862032 372229608 /nfs/dbraw/zinc/22/96/08/372229608.db2.gz CMPIXUBLHCLIHK-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4ncccc4c3)C2)C1 ZINC000292862032 372229613 /nfs/dbraw/zinc/22/96/13/372229613.db2.gz CMPIXUBLHCLIHK-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4ncccc4c3)C2)C1 ZINC000292862032 372229618 /nfs/dbraw/zinc/22/96/18/372229618.db2.gz CMPIXUBLHCLIHK-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP CCc1ccc([C@@H]2CC[N@@H+](CCn3ccnc3C)C2)cc1 ZINC000292954086 372259705 /nfs/dbraw/zinc/25/97/05/372259705.db2.gz ATPWRPDWACJNDB-GOSISDBHSA-N 2 1 283.419 3.243 20 0 CGADMP C[C@@H](c1nc2ccccc2o1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293036730 372284530 /nfs/dbraw/zinc/28/45/30/372284530.db2.gz RYGAPFFDAOIQPW-KSSFIOAISA-N 2 1 299.418 3.307 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000050952777 541875602 /nfs/dbraw/zinc/87/56/02/541875602.db2.gz CKHNIZMQHVIDIQ-IRXDYDNUSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000430926839 372406341 /nfs/dbraw/zinc/40/63/41/372406341.db2.gz OXNNJXHAFVFYPY-BEFAXECRSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430946792 372408899 /nfs/dbraw/zinc/40/88/99/372408899.db2.gz XZWDKFNGBUBYJL-FZMZJTMJSA-N 2 1 284.856 3.101 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163488106 372472876 /nfs/dbraw/zinc/47/28/76/372472876.db2.gz IRQKKVZLXMBCDP-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163488106 372472881 /nfs/dbraw/zinc/47/28/81/372472881.db2.gz IRQKKVZLXMBCDP-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163488106 372472885 /nfs/dbraw/zinc/47/28/85/372472885.db2.gz IRQKKVZLXMBCDP-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP CCC[N@@H+](CCCOc1ccccc1C)C1CC[NH2+]CC1 ZINC000431087080 372425981 /nfs/dbraw/zinc/42/59/81/372425981.db2.gz PCYBWOPNLNJWNV-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000162828248 372427024 /nfs/dbraw/zinc/42/70/24/372427024.db2.gz VJZUAOPVVRVTMP-HNNXBMFYSA-N 2 1 275.421 3.480 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000162828248 372427029 /nfs/dbraw/zinc/42/70/29/372427029.db2.gz VJZUAOPVVRVTMP-HNNXBMFYSA-N 2 1 275.421 3.480 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000162956366 372437002 /nfs/dbraw/zinc/43/70/02/372437002.db2.gz OUNSJRZFVQBMJE-JSGCOSHPSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000162956366 372437010 /nfs/dbraw/zinc/43/70/10/372437010.db2.gz OUNSJRZFVQBMJE-JSGCOSHPSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC000162956366 372437017 /nfs/dbraw/zinc/43/70/17/372437017.db2.gz OUNSJRZFVQBMJE-JSGCOSHPSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)s1 ZINC000162956366 372437023 /nfs/dbraw/zinc/43/70/23/372437023.db2.gz OUNSJRZFVQBMJE-JSGCOSHPSA-N 2 1 281.469 3.237 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515364 372577190 /nfs/dbraw/zinc/57/71/90/372577190.db2.gz MIMADFPLIBCCIL-GUYCJALGSA-N 2 1 276.399 3.351 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000294165496 372599901 /nfs/dbraw/zinc/59/99/01/372599901.db2.gz PQOUXFURFGHVLB-KRWDZBQOSA-N 2 1 289.467 3.430 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000294165496 372599909 /nfs/dbraw/zinc/59/99/09/372599909.db2.gz PQOUXFURFGHVLB-KRWDZBQOSA-N 2 1 289.467 3.430 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CCOCC1 ZINC000168319276 372608465 /nfs/dbraw/zinc/60/84/65/372608465.db2.gz OCQCUBJDHWDUEI-CVEARBPZSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000294668648 372666074 /nfs/dbraw/zinc/66/60/74/372666074.db2.gz AQMNHKFOXPXJKC-DYVFJYSZSA-N 2 1 299.418 3.399 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000434772961 372708457 /nfs/dbraw/zinc/70/84/57/372708457.db2.gz HBPHYYWFAXUBTR-JKSUJKDBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000344613133 217250319 /nfs/dbraw/zinc/25/03/19/217250319.db2.gz FCFKHSBLZIDDTL-HNAYVOBHSA-N 2 1 295.430 3.321 20 0 CGADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436304439 372833961 /nfs/dbraw/zinc/83/39/61/372833961.db2.gz DTUUSBZQIMLZKW-GDBMZVCRSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000437108076 372844964 /nfs/dbraw/zinc/84/49/64/372844964.db2.gz MCKMMBZYEQVBNU-UPJWGTAASA-N 2 1 278.362 3.180 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000353494575 220118655 /nfs/dbraw/zinc/11/86/55/220118655.db2.gz CXPKMFQLRFDCDJ-GFCCVEGCSA-N 2 1 293.361 3.081 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296052811 373005811 /nfs/dbraw/zinc/00/58/11/373005811.db2.gz VHSZCNXBUFSJJV-WUSVYZNTSA-N 2 1 270.420 3.135 20 0 CGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296052814 373006551 /nfs/dbraw/zinc/00/65/51/373006551.db2.gz VHSZCNXBUFSJJV-XLOFPCCBSA-N 2 1 270.420 3.135 20 0 CGADMP Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000296109616 373025758 /nfs/dbraw/zinc/02/57/58/373025758.db2.gz SIXIEXMFRAVGQZ-YIONKMFJSA-N 2 1 264.438 3.114 20 0 CGADMP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cs1 ZINC000296109616 373025760 /nfs/dbraw/zinc/02/57/60/373025760.db2.gz SIXIEXMFRAVGQZ-YIONKMFJSA-N 2 1 264.438 3.114 20 0 CGADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cs1 ZINC000296109616 373025763 /nfs/dbraw/zinc/02/57/63/373025763.db2.gz SIXIEXMFRAVGQZ-YIONKMFJSA-N 2 1 264.438 3.114 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000356887538 288599657 /nfs/dbraw/zinc/59/96/57/288599657.db2.gz YRKBACPYVJZIMO-IMJJTQAJSA-N 2 1 275.440 3.167 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1cccc2ccccc21 ZINC000442766994 373075479 /nfs/dbraw/zinc/07/54/79/373075479.db2.gz PNJMNZWMBGKIFE-CVEARBPZSA-N 2 1 298.430 3.278 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442777785 373077778 /nfs/dbraw/zinc/07/77/78/373077778.db2.gz IZHGOGPSPPDHSN-UHFFFAOYSA-N 2 1 262.388 3.132 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442777785 373077784 /nfs/dbraw/zinc/07/77/84/373077784.db2.gz IZHGOGPSPPDHSN-UHFFFAOYSA-N 2 1 262.388 3.132 20 0 CGADMP CCCc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442921800 373128075 /nfs/dbraw/zinc/12/80/75/373128075.db2.gz JWQBDMYIJZIBHA-INIZCTEOSA-N 2 1 260.425 3.200 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442927590 373128544 /nfs/dbraw/zinc/12/85/44/373128544.db2.gz OGERJDILAPSIMU-AWEZNQCLSA-N 2 1 278.465 3.359 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442931265 373130517 /nfs/dbraw/zinc/13/05/17/373130517.db2.gz VXGBMTHGPBPJAK-INIZCTEOSA-N 2 1 290.451 3.282 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000173386409 373133059 /nfs/dbraw/zinc/13/30/59/373133059.db2.gz KILXWVKYBUJFGW-KBPBESRZSA-N 2 1 257.381 3.178 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908217 373213923 /nfs/dbraw/zinc/21/39/23/373213923.db2.gz BQLFUGJGUMAMNJ-KRWDZBQOSA-N 2 1 274.452 3.385 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908217 373213934 /nfs/dbraw/zinc/21/39/34/373213934.db2.gz BQLFUGJGUMAMNJ-KRWDZBQOSA-N 2 1 274.452 3.385 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908217 373213942 /nfs/dbraw/zinc/21/39/42/373213942.db2.gz BQLFUGJGUMAMNJ-KRWDZBQOSA-N 2 1 274.452 3.385 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC000296557786 373175460 /nfs/dbraw/zinc/17/54/60/373175460.db2.gz UCJWONDRFKATTP-HIFRSBDPSA-N 2 1 296.480 3.208 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000174211151 373267552 /nfs/dbraw/zinc/26/75/52/373267552.db2.gz PRRSYZIHLVLGJX-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000174211151 373267554 /nfs/dbraw/zinc/26/75/54/373267554.db2.gz PRRSYZIHLVLGJX-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298580467 373359463 /nfs/dbraw/zinc/35/94/63/373359463.db2.gz XTFZOEMVLGVESE-OAHLLOKOSA-N 2 1 272.436 3.315 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CC(C)(C)C)C1 ZINC000448555781 373590674 /nfs/dbraw/zinc/59/06/74/373590674.db2.gz VHXJAOHXIVWCLC-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000448555781 373590682 /nfs/dbraw/zinc/59/06/82/373590682.db2.gz VHXJAOHXIVWCLC-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000448555781 373590690 /nfs/dbraw/zinc/59/06/90/373590690.db2.gz VHXJAOHXIVWCLC-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](CC[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000300279516 373624073 /nfs/dbraw/zinc/62/40/73/373624073.db2.gz KFKBICDWYAVUGA-RDJZCZTQSA-N 2 1 260.425 3.254 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000300410686 373627216 /nfs/dbraw/zinc/62/72/16/373627216.db2.gz JNTXRSWVTWTASB-BPQIPLTHSA-N 2 1 274.452 3.356 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccc(F)cc2)CC[N@@H+]1C ZINC000177060998 373652919 /nfs/dbraw/zinc/65/29/19/373652919.db2.gz WZYYPLHMRYTBKD-ZFWWWQNUSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccc(F)cc2)CC[N@H+]1C ZINC000177060998 373652932 /nfs/dbraw/zinc/65/29/32/373652932.db2.gz WZYYPLHMRYTBKD-ZFWWWQNUSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCSc2ccc(F)cc2)CC[NH+]1C ZINC000177060998 373652941 /nfs/dbraw/zinc/65/29/41/373652941.db2.gz WZYYPLHMRYTBKD-ZFWWWQNUSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCSc2ccc(F)cc2)CC[NH+]1C ZINC000177060998 373652949 /nfs/dbraw/zinc/65/29/49/373652949.db2.gz WZYYPLHMRYTBKD-ZFWWWQNUSA-N 2 1 296.455 3.332 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823874 373711749 /nfs/dbraw/zinc/71/17/49/373711749.db2.gz MYABKOBSSWKHHJ-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823874 373711759 /nfs/dbraw/zinc/71/17/59/373711759.db2.gz MYABKOBSSWKHHJ-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823874 373711765 /nfs/dbraw/zinc/71/17/65/373711765.db2.gz MYABKOBSSWKHHJ-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177823874 373711777 /nfs/dbraw/zinc/71/17/77/373711777.db2.gz MYABKOBSSWKHHJ-RDTXWAMCSA-N 2 1 290.426 3.477 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449085054 373661091 /nfs/dbraw/zinc/66/10/91/373661091.db2.gz ZYBJQZOARZSDQW-QXSJWSMHSA-N 2 1 284.513 3.086 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000177296049 373672660 /nfs/dbraw/zinc/67/26/60/373672660.db2.gz JIAPQGKXILFEOY-KGLIPLIRSA-N 2 1 263.429 3.386 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000301155727 373677036 /nfs/dbraw/zinc/67/70/36/373677036.db2.gz AFQCLWDDVJXKMX-KRWDZBQOSA-N 2 1 281.403 3.058 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000449353076 373682823 /nfs/dbraw/zinc/68/28/23/373682823.db2.gz XUOJPFKBKCUVQT-KRWDZBQOSA-N 2 1 299.393 3.454 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000449351458 373683332 /nfs/dbraw/zinc/68/33/32/373683332.db2.gz POWJKLCMIPETEU-QGZVFWFLSA-N 2 1 276.399 3.277 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449485850 373775516 /nfs/dbraw/zinc/77/55/16/373775516.db2.gz RSLRJUBICYEXAT-OLZOCXBDSA-N 2 1 293.480 3.045 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449485850 373775522 /nfs/dbraw/zinc/77/55/22/373775522.db2.gz RSLRJUBICYEXAT-OLZOCXBDSA-N 2 1 293.480 3.045 20 0 CGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccoc2)[C@H](C)C1 ZINC000178333393 373767687 /nfs/dbraw/zinc/76/76/87/373767687.db2.gz XSCWMGOCMFYXLQ-VYDXJSESSA-N 2 1 294.439 3.067 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccoc2)[C@H](C)C1 ZINC000178333393 373767694 /nfs/dbraw/zinc/76/76/94/373767694.db2.gz XSCWMGOCMFYXLQ-VYDXJSESSA-N 2 1 294.439 3.067 20 0 CGADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC000178975341 373822699 /nfs/dbraw/zinc/82/26/99/373822699.db2.gz QJCMOAOKUYNASB-YJBOKZPZSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974211 373823100 /nfs/dbraw/zinc/82/31/00/373823100.db2.gz HUMBZCLCLSUWFA-SUMWQHHRSA-N 2 1 276.399 3.208 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cc2ccccc2o1 ZINC000178486604 373785021 /nfs/dbraw/zinc/78/50/21/373785021.db2.gz UXTWGCUMOSTNTQ-DVOMOZLQSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000178486604 373785031 /nfs/dbraw/zinc/78/50/31/373785031.db2.gz UXTWGCUMOSTNTQ-DVOMOZLQSA-N 2 1 272.392 3.251 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000070344088 541893347 /nfs/dbraw/zinc/89/33/47/541893347.db2.gz JLVDJVLHRKXRQI-QGZVFWFLSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000179448952 373874957 /nfs/dbraw/zinc/87/49/57/373874957.db2.gz SQMYGQXIPSQDMI-DOMZBBRYSA-N 2 1 266.816 3.475 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000449780173 373908531 /nfs/dbraw/zinc/90/85/31/373908531.db2.gz FMNXCYGTZIZWNU-CQSZACIVSA-N 2 1 297.446 3.099 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000449780173 373908536 /nfs/dbraw/zinc/90/85/36/373908536.db2.gz FMNXCYGTZIZWNU-CQSZACIVSA-N 2 1 297.446 3.099 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000181425848 374122558 /nfs/dbraw/zinc/12/25/58/374122558.db2.gz MHRWWKZOXUXUOG-DLBZAZTESA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCCC2(F)F)CC[N@@H+]1C ZINC000450470032 374153927 /nfs/dbraw/zinc/15/39/27/374153927.db2.gz SLFWBGYGZSYTDW-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCCC2(F)F)CC[N@H+]1C ZINC000450470032 374153932 /nfs/dbraw/zinc/15/39/32/374153932.db2.gz SLFWBGYGZSYTDW-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCCC2(F)F)CC[NH+]1C ZINC000450470032 374153939 /nfs/dbraw/zinc/15/39/39/374153939.db2.gz SLFWBGYGZSYTDW-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCCC2(F)F)CC[NH+]1C ZINC000450470032 374153943 /nfs/dbraw/zinc/15/39/43/374153943.db2.gz SLFWBGYGZSYTDW-MCIONIFRSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000310228228 374210827 /nfs/dbraw/zinc/21/08/27/374210827.db2.gz IWLMWJFOMGWYCJ-SNVBAGLBSA-N 2 1 275.223 3.281 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C[NH+](C)C ZINC000310916529 374229171 /nfs/dbraw/zinc/22/91/71/374229171.db2.gz ZFXBLSOWQRVTLF-MNOVXSKESA-N 2 1 272.795 3.327 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000183339887 374404264 /nfs/dbraw/zinc/40/42/64/374404264.db2.gz XXMIPRVDUDFGRZ-ZOBUZTSGSA-N 2 1 260.425 3.253 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1CCC2(CCOCC2)CC1)C1CC1 ZINC000453404787 374474996 /nfs/dbraw/zinc/47/49/96/374474996.db2.gz PWVCPNNTGYURTA-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccnc1 ZINC000185346074 374643214 /nfs/dbraw/zinc/64/32/14/374643214.db2.gz AURNSJJISCMQLL-PBHICJAKSA-N 2 1 286.423 3.354 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccnc1 ZINC000185881275 374760013 /nfs/dbraw/zinc/76/00/13/374760013.db2.gz DOZIQTYOBWXTCY-QGZVFWFLSA-N 2 1 275.440 3.385 20 0 CGADMP CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666635 374707730 /nfs/dbraw/zinc/70/77/30/374707730.db2.gz XRSCQMAQZAZVNB-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000186321513 374831899 /nfs/dbraw/zinc/83/18/99/374831899.db2.gz VFDJDHGWPARZGL-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000459747162 374819470 /nfs/dbraw/zinc/81/94/70/374819470.db2.gz ZYLXVSWABDSGJB-AWEZNQCLSA-N 2 1 266.816 3.162 20 0 CGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000186884778 374933047 /nfs/dbraw/zinc/93/30/47/374933047.db2.gz OCFISPGJBGHPCY-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000467543476 374976293 /nfs/dbraw/zinc/97/62/93/374976293.db2.gz OQODSUQDFVTDGJ-HOCLYGCPSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1F ZINC000335023403 375076625 /nfs/dbraw/zinc/07/66/25/375076625.db2.gz IGAHOJREGMTUBH-DLBZAZTESA-N 2 1 270.351 3.369 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000474107480 375082023 /nfs/dbraw/zinc/08/20/23/375082023.db2.gz YAVCFTJVNILEOW-CRAIPNDOSA-N 2 1 290.451 3.214 20 0 CGADMP CCSc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccn1 ZINC000187793438 375097027 /nfs/dbraw/zinc/09/70/27/375097027.db2.gz CVPAQPYYRAXORZ-UHFFFAOYSA-N 2 1 293.480 3.156 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC1CC[NH2+]CC1 ZINC000479687001 375155401 /nfs/dbraw/zinc/15/54/01/375155401.db2.gz NGQSDMAXYKWLTM-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2CCSC2)C1 ZINC000487271280 375216660 /nfs/dbraw/zinc/21/66/60/375216660.db2.gz QMBPRFNSPZVYBC-LSDHHAIUSA-N 2 1 284.513 3.230 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2CCSC2)C1 ZINC000487271280 375216664 /nfs/dbraw/zinc/21/66/64/375216664.db2.gz QMBPRFNSPZVYBC-LSDHHAIUSA-N 2 1 284.513 3.230 20 0 CGADMP Cc1nc([C@H]2CCCN2CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC000189764556 375444507 /nfs/dbraw/zinc/44/45/07/375444507.db2.gz RPABDYQJMWYDHD-DZGCQCFKSA-N 2 1 279.453 3.073 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000121045525 542015587 /nfs/dbraw/zinc/01/55/87/542015587.db2.gz PJDCYEWGTFYZDH-GTNSWQLSSA-N 2 1 292.373 3.026 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1Cl ZINC000507799327 375724487 /nfs/dbraw/zinc/72/44/87/375724487.db2.gz YAVQOZJWPMUAEW-OAHLLOKOSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000507799327 375724494 /nfs/dbraw/zinc/72/44/94/375724494.db2.gz YAVQOZJWPMUAEW-OAHLLOKOSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000507799327 375724502 /nfs/dbraw/zinc/72/45/02/375724502.db2.gz YAVQOZJWPMUAEW-OAHLLOKOSA-N 2 1 280.843 3.422 20 0 CGADMP FCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000336657327 375897005 /nfs/dbraw/zinc/89/70/05/375897005.db2.gz QAICRMCYWPZYHG-OKZBNKHCSA-N 2 1 290.426 3.236 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000336726375 375922244 /nfs/dbraw/zinc/92/22/44/375922244.db2.gz YRNSYGOICXLEBF-GOSISDBHSA-N 2 1 295.430 3.002 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000336726375 375922253 /nfs/dbraw/zinc/92/22/53/375922253.db2.gz YRNSYGOICXLEBF-GOSISDBHSA-N 2 1 295.430 3.002 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000536067676 376077429 /nfs/dbraw/zinc/07/74/29/376077429.db2.gz VFLJGCAZGRNJJQ-OAHLLOKOSA-N 2 1 261.413 3.180 20 0 CGADMP C[C@@H]([C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1)C1CCCCC1 ZINC000537306161 376162352 /nfs/dbraw/zinc/16/23/52/376162352.db2.gz CKFBNGRZLOMHHM-GJZGRUSLSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217521636 376174007 /nfs/dbraw/zinc/17/40/07/376174007.db2.gz ZPKVZTTXTLSMAC-RYUDHWBXSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217521636 376174013 /nfs/dbraw/zinc/17/40/13/376174013.db2.gz ZPKVZTTXTLSMAC-RYUDHWBXSA-N 2 1 252.789 3.072 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000226330147 376353540 /nfs/dbraw/zinc/35/35/40/376353540.db2.gz HWTKXEIOTHJJOG-MRXNPFEDSA-N 2 1 262.441 3.329 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000226330147 376353546 /nfs/dbraw/zinc/35/35/46/376353546.db2.gz HWTKXEIOTHJJOG-MRXNPFEDSA-N 2 1 262.441 3.329 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000539039263 376285830 /nfs/dbraw/zinc/28/58/30/376285830.db2.gz BOIZQZMDIJLGGW-NGHVJFNESA-N 2 1 276.468 3.131 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000539294292 376301777 /nfs/dbraw/zinc/30/17/77/376301777.db2.gz ASCLSQRMWUJCNS-AWEZNQCLSA-N 2 1 287.451 3.169 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000539294678 376302269 /nfs/dbraw/zinc/30/22/69/376302269.db2.gz LXTBSZYEJFBBBL-LZQZEXGQSA-N 2 1 286.463 3.210 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000540166498 376362260 /nfs/dbraw/zinc/36/22/60/376362260.db2.gz ZSZLMZSUBWKPPW-XJKSGUPXSA-N 2 1 288.460 3.374 20 0 CGADMP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000227177313 376384244 /nfs/dbraw/zinc/38/42/44/376384244.db2.gz YPFMIHBMJPUNSB-NXOAAHMSSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000227177313 376384249 /nfs/dbraw/zinc/38/42/49/376384249.db2.gz YPFMIHBMJPUNSB-NXOAAHMSSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229061412 376457436 /nfs/dbraw/zinc/45/74/36/376457436.db2.gz CSJIBBNSNCVVJZ-JSGCOSHPSA-N 2 1 272.392 3.158 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC(C)CC2)C1 ZINC000542507953 376551454 /nfs/dbraw/zinc/55/14/54/376551454.db2.gz UVPIOBOIZVPLEI-JCYILVPMSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000542507953 376551458 /nfs/dbraw/zinc/55/14/58/376551458.db2.gz UVPIOBOIZVPLEI-JCYILVPMSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000542507953 376551464 /nfs/dbraw/zinc/55/14/64/376551464.db2.gz UVPIOBOIZVPLEI-JCYILVPMSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231462086 376559634 /nfs/dbraw/zinc/55/96/34/376559634.db2.gz WXAMDAKWNWNPFX-AWEZNQCLSA-N 2 1 286.341 3.279 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000339071125 376661165 /nfs/dbraw/zinc/66/11/65/376661165.db2.gz QRZDNOQANOXBHI-CWRNSKLLSA-N 2 1 276.424 3.126 20 0 CGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000545160733 376789200 /nfs/dbraw/zinc/78/92/00/376789200.db2.gz AFSBPDOMCPAXOS-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000158905919 542145678 /nfs/dbraw/zinc/14/56/78/542145678.db2.gz QZMCTNBWGRFUAL-SUMWQHHRSA-N 2 1 292.854 3.127 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000545519930 376830583 /nfs/dbraw/zinc/83/05/83/376830583.db2.gz VCIWIZORWHTNMY-OWCLPIDISA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000545519930 376830590 /nfs/dbraw/zinc/83/05/90/376830590.db2.gz VCIWIZORWHTNMY-OWCLPIDISA-N 2 1 260.425 3.437 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cccc(F)c2)[C@@H](C)C1 ZINC000245535490 376845354 /nfs/dbraw/zinc/84/53/54/376845354.db2.gz WUTFMXDWROVYSW-YJBOKZPZSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cccc(F)c2)[C@@H](C)C1 ZINC000245535490 376845356 /nfs/dbraw/zinc/84/53/56/376845356.db2.gz WUTFMXDWROVYSW-YJBOKZPZSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cccc(F)c2)[C@@H](C)C1 ZINC000245535490 376845360 /nfs/dbraw/zinc/84/53/60/376845360.db2.gz WUTFMXDWROVYSW-YJBOKZPZSA-N 2 1 292.442 3.420 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000556869943 376895232 /nfs/dbraw/zinc/89/52/32/376895232.db2.gz CBXZRHWEXPWIFL-IPMKNSEASA-N 2 1 286.463 3.308 20 0 CGADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000557393192 376933413 /nfs/dbraw/zinc/93/34/13/376933413.db2.gz OBMKXMUCDSPHTK-KZNAEPCWSA-N 2 1 290.426 3.139 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC12CCCC2)C1CC1 ZINC000340190578 376942259 /nfs/dbraw/zinc/94/22/59/376942259.db2.gz IERXWYJBXGMPGI-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000245952392 376943501 /nfs/dbraw/zinc/94/35/01/376943501.db2.gz XOGCLEFYMDNVGR-FUHWJXTLSA-N 2 1 274.452 3.454 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000557904952 376963551 /nfs/dbraw/zinc/96/35/51/376963551.db2.gz KWPNVELAELQZJK-LSDHHAIUSA-N 2 1 278.415 3.249 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000558696879 377032938 /nfs/dbraw/zinc/03/29/38/377032938.db2.gz KNPFSZLJDXKKPE-KSZLIROESA-N 2 1 272.436 3.417 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558259685 376993054 /nfs/dbraw/zinc/99/30/54/376993054.db2.gz TXWULQGEZZXOJF-RCCFBDPRSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCCCO2)C1 ZINC000246278533 377003743 /nfs/dbraw/zinc/00/37/43/377003743.db2.gz BRUPAXGHBVZOGF-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000246278533 377003747 /nfs/dbraw/zinc/00/37/47/377003747.db2.gz BRUPAXGHBVZOGF-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP CCCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C1CCC1 ZINC000558423710 377006202 /nfs/dbraw/zinc/00/62/02/377006202.db2.gz OPOVUUSNWLAEHL-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP Fc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246573982 377056633 /nfs/dbraw/zinc/05/66/33/377056633.db2.gz LMYWEFWGFFHLIC-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246573982 377056642 /nfs/dbraw/zinc/05/66/42/377056642.db2.gz LMYWEFWGFFHLIC-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246573982 377056653 /nfs/dbraw/zinc/05/66/53/377056653.db2.gz LMYWEFWGFFHLIC-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246573982 377056663 /nfs/dbraw/zinc/05/66/63/377056663.db2.gz LMYWEFWGFFHLIC-YJBOKZPZSA-N 2 1 288.410 3.274 20 0 CGADMP Clc1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246735554 377078333 /nfs/dbraw/zinc/07/83/33/377078333.db2.gz WHOUUGMHZDRLTI-SWLSCSKDSA-N 2 1 291.826 3.188 20 0 CGADMP Clc1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246735554 377078343 /nfs/dbraw/zinc/07/83/43/377078343.db2.gz WHOUUGMHZDRLTI-SWLSCSKDSA-N 2 1 291.826 3.188 20 0 CGADMP CC(C)C1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000340477589 377090887 /nfs/dbraw/zinc/09/08/87/377090887.db2.gz ABPFRQKRDKNRPW-UHFFFAOYSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000246868646 377107009 /nfs/dbraw/zinc/10/70/09/377107009.db2.gz SQFULSYJYUOQIO-YQFWSFKMSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000246868646 377107019 /nfs/dbraw/zinc/10/70/19/377107019.db2.gz SQFULSYJYUOQIO-YQFWSFKMSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000246868646 377107025 /nfs/dbraw/zinc/10/70/25/377107025.db2.gz SQFULSYJYUOQIO-YQFWSFKMSA-N 2 1 288.435 3.319 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000246868646 377107034 /nfs/dbraw/zinc/10/70/34/377107034.db2.gz SQFULSYJYUOQIO-YQFWSFKMSA-N 2 1 288.435 3.319 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(CC)nc2C)C1 ZINC000247117120 377162163 /nfs/dbraw/zinc/16/21/63/377162163.db2.gz QYAWTROVRDODOS-TZMCWYRMSA-N 2 1 295.496 3.396 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000247199272 377174057 /nfs/dbraw/zinc/17/40/57/377174057.db2.gz WFMWVYVNDNIUJQ-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247196124 377174344 /nfs/dbraw/zinc/17/43/44/377174344.db2.gz WAXIVDROTWTWQK-DOTOQJQBSA-N 2 1 290.451 3.438 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000560593908 377176852 /nfs/dbraw/zinc/17/68/52/377176852.db2.gz ADVMLEYFGHQHQX-IEBWSBKVSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000560593908 377176859 /nfs/dbraw/zinc/17/68/59/377176859.db2.gz ADVMLEYFGHQHQX-IEBWSBKVSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000560593908 377176867 /nfs/dbraw/zinc/17/68/67/377176867.db2.gz ADVMLEYFGHQHQX-IEBWSBKVSA-N 2 1 286.463 3.283 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)[C@H](C)C1 ZINC000248125231 377268700 /nfs/dbraw/zinc/26/87/00/377268700.db2.gz NVWFNWPBEVIMGK-LTIDMASMSA-N 2 1 296.499 3.148 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000247885154 377242558 /nfs/dbraw/zinc/24/25/58/377242558.db2.gz CTSJWIPKQMCWJT-XJKSGUPXSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC000247968232 377248624 /nfs/dbraw/zinc/24/86/24/377248624.db2.gz IQIIKHBFDJIGLX-GOEBONIOSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000248001008 377255729 /nfs/dbraw/zinc/25/57/29/377255729.db2.gz KJGVKGZVOJNILV-UHDSXZAQSA-N 2 1 296.499 3.146 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000248143490 377272452 /nfs/dbraw/zinc/27/24/52/377272452.db2.gz PWTMKRFQBFFEQS-QXCFHYIPSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC[N@H+]1C ZINC000248143490 377272458 /nfs/dbraw/zinc/27/24/58/377272458.db2.gz PWTMKRFQBFFEQS-QXCFHYIPSA-N 2 1 286.463 3.470 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345585 377292495 /nfs/dbraw/zinc/29/24/95/377292495.db2.gz MYABKOBSSWKHHJ-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345585 377292504 /nfs/dbraw/zinc/29/25/04/377292504.db2.gz MYABKOBSSWKHHJ-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345585 377292509 /nfs/dbraw/zinc/29/25/09/377292509.db2.gz MYABKOBSSWKHHJ-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345585 377292516 /nfs/dbraw/zinc/29/25/16/377292516.db2.gz MYABKOBSSWKHHJ-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP c1ccc(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000161586976 542159979 /nfs/dbraw/zinc/15/99/79/542159979.db2.gz ZYNUPYYLVXSLRX-OTWHNJEPSA-N 2 1 284.447 3.224 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(CC)CC ZINC000248760194 377397831 /nfs/dbraw/zinc/39/78/31/377397831.db2.gz DJPUVBHSXJTDET-VEDBGLOESA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccnc3ccccc13)CC[NH2+]CC2 ZINC000562969102 377381782 /nfs/dbraw/zinc/38/17/82/377381782.db2.gz IEENPRXPQSTOEJ-OAHLLOKOSA-N 2 1 295.430 3.199 20 0 CGADMP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000248553306 377345216 /nfs/dbraw/zinc/34/52/16/377345216.db2.gz JNTMOIXGZPJSNB-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCOC)CCCCC2)[C@@H](C)C1 ZINC000248563785 377349808 /nfs/dbraw/zinc/34/98/08/377349808.db2.gz NXEWZTRDRHRNJE-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249036342 377446501 /nfs/dbraw/zinc/44/65/01/377446501.db2.gz STBOVCCGZNPZHI-DQIHPLBOSA-N 2 1 264.457 3.416 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249246430 377481072 /nfs/dbraw/zinc/48/10/72/377481072.db2.gz BDDZCWAVRMCNBD-WDSOQIARSA-N 2 1 286.463 3.380 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253743 249032945 /nfs/dbraw/zinc/03/29/45/249032945.db2.gz ACQGGLXXNGXNEY-LLCTXKFZSA-N 2 1 276.399 3.113 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253743 249032946 /nfs/dbraw/zinc/03/29/46/249032946.db2.gz ACQGGLXXNGXNEY-LLCTXKFZSA-N 2 1 276.399 3.113 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253743 249032948 /nfs/dbraw/zinc/03/29/48/249032948.db2.gz ACQGGLXXNGXNEY-LLCTXKFZSA-N 2 1 276.399 3.113 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253743 249032950 /nfs/dbraw/zinc/03/29/50/249032950.db2.gz ACQGGLXXNGXNEY-LLCTXKFZSA-N 2 1 276.399 3.113 20 0 CGADMP CC(C)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000094849488 249043528 /nfs/dbraw/zinc/04/35/28/249043528.db2.gz BJKWNOVVDQUOOC-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649244 249002304 /nfs/dbraw/zinc/00/23/04/249002304.db2.gz JWTTZLZLOIUCMP-RDTXWAMCSA-N 2 1 288.435 3.220 20 0 CGADMP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250673526 377564745 /nfs/dbraw/zinc/56/47/45/377564745.db2.gz VWWYOBPQKZLHPE-TWMKSMIVSA-N 2 1 262.441 3.172 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459549605 249156185 /nfs/dbraw/zinc/15/61/85/249156185.db2.gz FDUHIVUSXLPLDN-KRWDZBQOSA-N 2 1 281.403 3.287 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470021235 249165651 /nfs/dbraw/zinc/16/56/51/249165651.db2.gz SOQAPZQPUANADW-NVXWUHKLSA-N 2 1 260.425 3.112 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccccc1F ZINC000251308779 377580456 /nfs/dbraw/zinc/58/04/56/377580456.db2.gz JOOPMOKFRLRFOA-IUODEOHRSA-N 2 1 252.377 3.192 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000251308779 377580460 /nfs/dbraw/zinc/58/04/60/377580460.db2.gz JOOPMOKFRLRFOA-IUODEOHRSA-N 2 1 252.377 3.192 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251439609 377582115 /nfs/dbraw/zinc/58/21/15/377582115.db2.gz AUXLGLIRBRPIIP-TUAOUCFPSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251439609 377582122 /nfs/dbraw/zinc/58/21/22/377582122.db2.gz AUXLGLIRBRPIIP-TUAOUCFPSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCc2c(F)cccc2Cl)CC[N@H+]1C ZINC000518357781 249279142 /nfs/dbraw/zinc/27/91/42/249279142.db2.gz BZOXJEBJBQZVOO-QWHCGFSZSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000518534491 249282636 /nfs/dbraw/zinc/28/26/36/249282636.db2.gz IKEINGIMOMTKGH-BDAKNGLRSA-N 2 1 261.196 3.209 20 0 CGADMP CCC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251650558 377592115 /nfs/dbraw/zinc/59/21/15/377592115.db2.gz NJJKBNRWZKDJIR-BACDZXNISA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000251735736 377594588 /nfs/dbraw/zinc/59/45/88/377594588.db2.gz COSNFTYCBVFRKJ-IIAWOOMASA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000573931214 377595072 /nfs/dbraw/zinc/59/50/72/377595072.db2.gz NVONYIIZWYBRFB-XHDPSFHLSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000573931214 377595083 /nfs/dbraw/zinc/59/50/83/377595083.db2.gz NVONYIIZWYBRFB-XHDPSFHLSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251718218 377596296 /nfs/dbraw/zinc/59/62/96/377596296.db2.gz JTQKTDFPGCLUEF-JTNHKYCSSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251718218 377596298 /nfs/dbraw/zinc/59/62/98/377596298.db2.gz JTQKTDFPGCLUEF-JTNHKYCSSA-N 2 1 252.789 3.070 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000251861841 377600716 /nfs/dbraw/zinc/60/07/16/377600716.db2.gz SXCFFKOZARWNDY-BLNMRFBMSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000251861844 377600810 /nfs/dbraw/zinc/60/08/10/377600810.db2.gz SXCFFKOZARWNDY-FVPDABNVSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251911014 377605681 /nfs/dbraw/zinc/60/56/81/377605681.db2.gz XEKIYBROZADAQJ-CXAGYDPISA-N 2 1 254.377 3.009 20 0 CGADMP C[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252107710 377614719 /nfs/dbraw/zinc/61/47/19/377614719.db2.gz HHBLBTSXKQOFHM-IXIBIKRGSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252107710 377614724 /nfs/dbraw/zinc/61/47/24/377614724.db2.gz HHBLBTSXKQOFHM-IXIBIKRGSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000252673607 377649574 /nfs/dbraw/zinc/64/95/74/377649574.db2.gz LGYMBWBPYHPMPT-SJORKVTESA-N 2 1 258.409 3.020 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674669 377649629 /nfs/dbraw/zinc/64/96/29/377649629.db2.gz TZOKYDGITYHREL-KGLIPLIRSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674669 377649633 /nfs/dbraw/zinc/64/96/33/377649633.db2.gz TZOKYDGITYHREL-KGLIPLIRSA-N 2 1 298.352 3.422 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252767074 377661923 /nfs/dbraw/zinc/66/19/23/377661923.db2.gz JHIBRCCIWZLGFL-LOWVWBTDSA-N 2 1 284.350 3.018 20 0 CGADMP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252771725 377662266 /nfs/dbraw/zinc/66/22/66/377662266.db2.gz LUGLQSDIIPGQHP-TUAOUCFPSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252771725 377662273 /nfs/dbraw/zinc/66/22/73/377662273.db2.gz LUGLQSDIIPGQHP-TUAOUCFPSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253131376 377677806 /nfs/dbraw/zinc/67/78/06/377677806.db2.gz WKWAESJTNIHCIG-AGIUHOORSA-N 2 1 278.362 3.324 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253193704 377680285 /nfs/dbraw/zinc/68/02/85/377680285.db2.gz PABSBTAJUOBGBH-FRRDWIJNSA-N 2 1 266.816 3.318 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000342604702 377688143 /nfs/dbraw/zinc/68/81/43/377688143.db2.gz FFUUWPDBKWBACD-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000342604702 377688151 /nfs/dbraw/zinc/68/81/51/377688151.db2.gz FFUUWPDBKWBACD-HZPDHXFCSA-N 2 1 293.455 3.107 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000574796616 377711202 /nfs/dbraw/zinc/71/12/02/377711202.db2.gz IWKXTXCTFLKMOM-BMFZPTHFSA-N 2 1 278.465 3.095 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000574796616 377711213 /nfs/dbraw/zinc/71/12/13/377711213.db2.gz IWKXTXCTFLKMOM-BMFZPTHFSA-N 2 1 278.465 3.095 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000342695588 377741224 /nfs/dbraw/zinc/74/12/24/377741224.db2.gz BDBYVAZKQRLWEC-JKSUJKDBSA-N 2 1 284.488 3.028 20 0 CGADMP C[C@H](C1CC1)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)C1CC1 ZINC000255206379 377741882 /nfs/dbraw/zinc/74/18/82/377741882.db2.gz DHBPVNVMVWXJGM-YOQOKRQFSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@H](C1CC1)[N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)C1CC1 ZINC000255206379 377741889 /nfs/dbraw/zinc/74/18/89/377741889.db2.gz DHBPVNVMVWXJGM-YOQOKRQFSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@H](C1CC1)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)C1CC1 ZINC000255206379 377741898 /nfs/dbraw/zinc/74/18/98/377741898.db2.gz DHBPVNVMVWXJGM-YOQOKRQFSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@H](C1CC1)[NH+](C)C/C=C\C[N@H+](C)[C@H](C)C1CC1 ZINC000255206376 377742270 /nfs/dbraw/zinc/74/22/70/377742270.db2.gz DHBPVNVMVWXJGM-HLMASZERSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3sccc3[C@H]2C)CC[NH2+]1 ZINC000261563454 377818505 /nfs/dbraw/zinc/81/85/05/377818505.db2.gz GWOJVAAABPZXCQ-JHJVBQTASA-N 2 1 264.438 3.055 20 0 CGADMP CC(C)[N@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261566522 377818726 /nfs/dbraw/zinc/81/87/26/377818726.db2.gz IFYBALCIDSTIBC-ZIAGYGMSSA-N 2 1 266.454 3.347 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000261582991 377823643 /nfs/dbraw/zinc/82/36/43/377823643.db2.gz HBHMADMDFUHGGI-MRXNPFEDSA-N 2 1 278.465 3.231 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000261582991 377823650 /nfs/dbraw/zinc/82/36/50/377823650.db2.gz HBHMADMDFUHGGI-MRXNPFEDSA-N 2 1 278.465 3.231 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261702382 377841124 /nfs/dbraw/zinc/84/11/24/377841124.db2.gz OLFKGEOCCMEGOT-UEEZHKSASA-N 2 1 298.352 3.436 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1cccc(Cl)c1 ZINC000261650282 377833182 /nfs/dbraw/zinc/83/31/82/377833182.db2.gz AYAHGHMIARIMQV-SWLSCSKDSA-N 2 1 266.816 3.114 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000342932222 377864573 /nfs/dbraw/zinc/86/45/73/377864573.db2.gz YJSJBMRDBGWDAY-WMZOPIPTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000342932222 377864578 /nfs/dbraw/zinc/86/45/78/377864578.db2.gz YJSJBMRDBGWDAY-WMZOPIPTSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000342932222 377864581 /nfs/dbraw/zinc/86/45/81/377864581.db2.gz YJSJBMRDBGWDAY-WMZOPIPTSA-N 2 1 272.436 3.220 20 0 CGADMP CC(C)C[N@H+](CC(C)(C)[NH3+])[C@H]1CCCc2cccnc21 ZINC000261919621 377867725 /nfs/dbraw/zinc/86/77/25/377867725.db2.gz KFQOLMQCQWNPMU-HNNXBMFYSA-N 2 1 275.440 3.154 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261933261 377868979 /nfs/dbraw/zinc/86/89/79/377868979.db2.gz LSLWNXATXVBXLG-OAHLLOKOSA-N 2 1 266.816 3.073 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261933261 377868986 /nfs/dbraw/zinc/86/89/86/377868986.db2.gz LSLWNXATXVBXLG-OAHLLOKOSA-N 2 1 266.816 3.073 20 0 CGADMP C[C@@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000261924029 377869444 /nfs/dbraw/zinc/86/94/44/377869444.db2.gz KTZZAXFWYWUKHX-BBRMVZONSA-N 2 1 264.388 3.003 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3cnccc32)C1 ZINC000183365073 542230483 /nfs/dbraw/zinc/23/04/83/542230483.db2.gz PQDPPNFMNXKMQE-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183365073 542230486 /nfs/dbraw/zinc/23/04/86/542230486.db2.gz PQDPPNFMNXKMQE-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183365073 542230488 /nfs/dbraw/zinc/23/04/88/542230488.db2.gz PQDPPNFMNXKMQE-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000261956211 377873285 /nfs/dbraw/zinc/87/32/85/377873285.db2.gz OREVXZBVDIAKOT-KSSFIOAISA-N 2 1 288.435 3.078 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261962714 377873507 /nfs/dbraw/zinc/87/35/07/377873507.db2.gz HLQWEZBAMMRTMM-QZTJIDSGSA-N 2 1 272.436 3.002 20 0 CGADMP CCC[N@@H+](Cc1cc(Cl)cs1)C1CC[NH2+]CC1 ZINC000261988738 377876372 /nfs/dbraw/zinc/87/63/72/377876372.db2.gz SDVRCPVMPNTHOK-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP Fc1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261743591 377848203 /nfs/dbraw/zinc/84/82/03/377848203.db2.gz BPCOLWASKAFVRT-RHSMWYFYSA-N 2 1 276.399 3.352 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000261811779 377857202 /nfs/dbraw/zinc/85/72/02/377857202.db2.gz OWZHCDJMFJNKHP-GOSISDBHSA-N 2 1 299.393 3.058 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000261811779 377857208 /nfs/dbraw/zinc/85/72/08/377857208.db2.gz OWZHCDJMFJNKHP-GOSISDBHSA-N 2 1 299.393 3.058 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000261832325 377859435 /nfs/dbraw/zinc/85/94/35/377859435.db2.gz UWGDPTFOEDMUBN-GOSISDBHSA-N 2 1 266.388 3.025 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261827375 377859678 /nfs/dbraw/zinc/85/96/78/377859678.db2.gz ITSCGKQZLWWIRK-NWDGAFQWSA-N 2 1 266.816 3.072 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000264388631 377981960 /nfs/dbraw/zinc/98/19/60/377981960.db2.gz RHIASTMGJFPWMA-AWEZNQCLSA-N 2 1 294.402 3.166 20 0 CGADMP Cc1cccc(C[N@@H+](C)CCCc2c[nH+]cn2C)c1C ZINC000575758607 377987175 /nfs/dbraw/zinc/98/71/75/377987175.db2.gz AENQMXWKLBADJG-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP Cc1cccc(C[N@H+](C)CCCc2c[nH+]cn2C)c1C ZINC000575758607 377987180 /nfs/dbraw/zinc/98/71/80/377987180.db2.gz AENQMXWKLBADJG-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP C[N@H+](Cc1ccccc1)C1CN(c2cc[nH+]cc2Cl)C1 ZINC000343626787 378046051 /nfs/dbraw/zinc/04/60/51/378046051.db2.gz LMYXYBTZNXRGLZ-UHFFFAOYSA-N 2 1 287.794 3.056 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CN(c2cc[nH+]cc2Cl)C1 ZINC000343626787 378046056 /nfs/dbraw/zinc/04/60/56/378046056.db2.gz LMYXYBTZNXRGLZ-UHFFFAOYSA-N 2 1 287.794 3.056 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000343624612 378046154 /nfs/dbraw/zinc/04/61/54/378046154.db2.gz QVDJWZGJNXGNBI-ROUUACIJSA-N 2 1 272.436 3.208 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268827039 378124157 /nfs/dbraw/zinc/12/41/57/378124157.db2.gz RBKZUJFUQAMRDU-LLVKDONJSA-N 2 1 292.452 3.431 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2ccccc21 ZINC000268846688 378130817 /nfs/dbraw/zinc/13/08/17/378130817.db2.gz JGDAPVYACFMJCW-KRWDZBQOSA-N 2 1 269.392 3.249 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268867807 378136709 /nfs/dbraw/zinc/13/67/09/378136709.db2.gz ADYWKOZSAJTDPE-NVXWUHKLSA-N 2 1 292.492 3.382 20 0 CGADMP CSCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268867807 378136715 /nfs/dbraw/zinc/13/67/15/378136715.db2.gz ADYWKOZSAJTDPE-NVXWUHKLSA-N 2 1 292.492 3.382 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000269127754 378190273 /nfs/dbraw/zinc/19/02/73/378190273.db2.gz GYOGXICMBBMNGX-INIZCTEOSA-N 2 1 286.423 3.272 20 0 CGADMP COc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)cc1 ZINC000269132863 378190546 /nfs/dbraw/zinc/19/05/46/378190546.db2.gz MWZMHCCJVMAJNU-GOSISDBHSA-N 2 1 299.418 3.427 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)cc1 ZINC000269132863 378190550 /nfs/dbraw/zinc/19/05/50/378190550.db2.gz MWZMHCCJVMAJNU-GOSISDBHSA-N 2 1 299.418 3.427 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)s2)C1 ZINC000269129711 378190785 /nfs/dbraw/zinc/19/07/85/378190785.db2.gz IRJIPBRCNYFBJC-YPMHNXCESA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)s2)C1 ZINC000269129711 378190787 /nfs/dbraw/zinc/19/07/87/378190787.db2.gz IRJIPBRCNYFBJC-YPMHNXCESA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)s2)C1 ZINC000269129711 378190790 /nfs/dbraw/zinc/19/07/90/378190790.db2.gz IRJIPBRCNYFBJC-YPMHNXCESA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)s2)C1 ZINC000269129711 378190793 /nfs/dbraw/zinc/19/07/93/378190793.db2.gz IRJIPBRCNYFBJC-YPMHNXCESA-N 2 1 284.856 3.318 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(CC(C)C)s1 ZINC000269417004 378219325 /nfs/dbraw/zinc/21/93/25/378219325.db2.gz KRTPJNZKFWWEOO-UHFFFAOYSA-N 2 1 292.452 3.026 20 0 CGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345196023 378221364 /nfs/dbraw/zinc/22/13/64/378221364.db2.gz BTTXWWSOXIKHNW-MRXNPFEDSA-N 2 1 260.425 3.267 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000579557259 378171736 /nfs/dbraw/zinc/17/17/36/378171736.db2.gz FACRNUIPVODERM-JKSUJKDBSA-N 2 1 292.467 3.423 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000579557259 378171739 /nfs/dbraw/zinc/17/17/39/378171739.db2.gz FACRNUIPVODERM-JKSUJKDBSA-N 2 1 292.467 3.423 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000269035102 378179038 /nfs/dbraw/zinc/17/90/38/378179038.db2.gz SKEKEDXPMLQLLV-SMDDNHRTSA-N 2 1 282.428 3.292 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000580984950 378273027 /nfs/dbraw/zinc/27/30/27/378273027.db2.gz ULXYCWVZAUDQIP-UONOGXRCSA-N 2 1 266.404 3.248 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000580984950 378273032 /nfs/dbraw/zinc/27/30/32/378273032.db2.gz ULXYCWVZAUDQIP-UONOGXRCSA-N 2 1 266.404 3.248 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000269861926 378273464 /nfs/dbraw/zinc/27/34/64/378273464.db2.gz JJLKHRIZMBNUDP-BLLLJJGKSA-N 2 1 294.389 3.274 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000269861926 378273467 /nfs/dbraw/zinc/27/34/67/378273467.db2.gz JJLKHRIZMBNUDP-BLLLJJGKSA-N 2 1 294.389 3.274 20 0 CGADMP CC[N@H+](Cc1cc(OC)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345214050 378225067 /nfs/dbraw/zinc/22/50/67/378225067.db2.gz VXFFHNIBPVEOJH-CQSZACIVSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1cc(OC)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345214050 378225071 /nfs/dbraw/zinc/22/50/71/378225071.db2.gz VXFFHNIBPVEOJH-CQSZACIVSA-N 2 1 296.842 3.313 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(C)CC2)CC1 ZINC000580750555 378254588 /nfs/dbraw/zinc/25/45/88/378254588.db2.gz DQCYAIMAEHFDPR-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1nccn1CC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000270854920 378406265 /nfs/dbraw/zinc/40/62/65/378406265.db2.gz IXPOBZFGCZLJFU-YJBOKZPZSA-N 2 1 283.419 3.145 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000271066759 378445326 /nfs/dbraw/zinc/44/53/26/378445326.db2.gz JHNATZKPEJMTTJ-JKSUJKDBSA-N 2 1 275.440 3.387 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccccc1 ZINC000346139443 378477149 /nfs/dbraw/zinc/47/71/49/378477149.db2.gz VHWFSCJJKPHJCV-UHFFFAOYSA-N 2 1 292.386 3.208 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000346167912 378488614 /nfs/dbraw/zinc/48/86/14/378488614.db2.gz HDBQBIOMJNKPEV-ZFWWWQNUSA-N 2 1 284.407 3.196 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000346180864 378493673 /nfs/dbraw/zinc/49/36/73/378493673.db2.gz QVFURSSWNARXOY-UHFFFAOYSA-N 2 1 296.418 3.196 20 0 CGADMP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC1CC1 ZINC000346182361 378495636 /nfs/dbraw/zinc/49/56/36/378495636.db2.gz SJWDVJHGGNAKJH-UHFFFAOYSA-N 2 1 284.407 3.198 20 0 CGADMP CC[C@]1(C)CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346202729 378503775 /nfs/dbraw/zinc/50/37/75/378503775.db2.gz OPAQBLIUKHLQSL-QGZVFWFLSA-N 2 1 284.407 3.198 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000271917358 378516314 /nfs/dbraw/zinc/51/63/14/378516314.db2.gz ZGMIEWBPEBOYNN-OAHLLOKOSA-N 2 1 258.409 3.216 20 0 CGADMP CCC(CC)[N@H+](CCn1cc[nH+]c1C)CC(C)C ZINC000346313410 378540327 /nfs/dbraw/zinc/54/03/27/378540327.db2.gz QDNWWADTEDYPOV-UHFFFAOYSA-N 2 1 251.418 3.338 20 0 CGADMP CCC(CC)[N@@H+](CCn1cc[nH+]c1C)CC(C)C ZINC000346313410 378540330 /nfs/dbraw/zinc/54/03/30/378540330.db2.gz QDNWWADTEDYPOV-UHFFFAOYSA-N 2 1 251.418 3.338 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000346491396 378594275 /nfs/dbraw/zinc/59/42/75/378594275.db2.gz OEDZATCPGVDTKB-CRAIPNDOSA-N 2 1 290.451 3.184 20 0 CGADMP CC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274804 378602751 /nfs/dbraw/zinc/60/27/51/378602751.db2.gz CBBNOPOLDQCUSE-ZOBUZTSGSA-N 2 1 260.425 3.285 20 0 CGADMP CSCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272535356 378660106 /nfs/dbraw/zinc/66/01/06/378660106.db2.gz REHWSHCWIVCLBH-NVXWUHKLSA-N 2 1 292.492 3.240 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346680819 378672908 /nfs/dbraw/zinc/67/29/08/378672908.db2.gz MTBPUVMOJYHVCY-ZBFHGGJFSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000346688274 378674360 /nfs/dbraw/zinc/67/43/60/378674360.db2.gz XOOJEEUYOUCVAE-STQMWFEESA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(OC(F)F)cc1C ZINC000346688274 378674365 /nfs/dbraw/zinc/67/43/65/378674365.db2.gz XOOJEEUYOUCVAE-STQMWFEESA-N 2 1 298.377 3.074 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000346693283 378678018 /nfs/dbraw/zinc/67/80/18/378678018.db2.gz LYASBJURJRCAIA-QWRGUYRKSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000346693283 378678020 /nfs/dbraw/zinc/67/80/20/378678020.db2.gz LYASBJURJRCAIA-QWRGUYRKSA-N 2 1 278.783 3.255 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346820714 378692377 /nfs/dbraw/zinc/69/23/77/378692377.db2.gz IFPABXWQFUSXSM-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP CSC1(C[NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000347946554 378736245 /nfs/dbraw/zinc/73/62/45/378736245.db2.gz RXNCBHZFILYVAY-HNNXBMFYSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(C)CCOC2)cc1 ZINC000347993637 378747133 /nfs/dbraw/zinc/74/71/33/378747133.db2.gz BYENCTFLCCJWKR-KSSFIOAISA-N 2 1 299.418 3.258 20 0 CGADMP C(C1CCSCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638179023 378724302 /nfs/dbraw/zinc/72/43/02/378724302.db2.gz HENIRGBHLFTWIV-RDJZCZTQSA-N 2 1 294.508 3.078 20 0 CGADMP C(C1CCSCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638179023 378724307 /nfs/dbraw/zinc/72/43/07/378724307.db2.gz HENIRGBHLFTWIV-RDJZCZTQSA-N 2 1 294.508 3.078 20 0 CGADMP C(C1CCSCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638179023 378724309 /nfs/dbraw/zinc/72/43/09/378724309.db2.gz HENIRGBHLFTWIV-RDJZCZTQSA-N 2 1 294.508 3.078 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000347923585 378729886 /nfs/dbraw/zinc/72/98/86/378729886.db2.gz OLIDAPHDOYAWDH-SJORKVTESA-N 3 1 289.467 3.175 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000347923585 378729888 /nfs/dbraw/zinc/72/98/88/378729888.db2.gz OLIDAPHDOYAWDH-SJORKVTESA-N 3 1 289.467 3.175 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H]1CSCCc2ccccc21 ZINC000347921301 378730220 /nfs/dbraw/zinc/73/02/20/378730220.db2.gz MRTQOIHVPMLADH-QGZVFWFLSA-N 2 1 292.492 3.337 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000347921301 378730224 /nfs/dbraw/zinc/73/02/24/378730224.db2.gz MRTQOIHVPMLADH-QGZVFWFLSA-N 2 1 292.492 3.337 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000347921301 378730227 /nfs/dbraw/zinc/73/02/27/378730227.db2.gz MRTQOIHVPMLADH-QGZVFWFLSA-N 2 1 292.492 3.337 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000638335902 378772020 /nfs/dbraw/zinc/77/20/20/378772020.db2.gz XPWGIYXWUNCCNK-RDJZCZTQSA-N 2 1 297.446 3.222 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000348087930 378785154 /nfs/dbraw/zinc/78/51/54/378785154.db2.gz XCMZEHOKQWTDJG-ZNMIVQPWSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000348087930 378785157 /nfs/dbraw/zinc/78/51/57/378785157.db2.gz XCMZEHOKQWTDJG-ZNMIVQPWSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000348087930 378785160 /nfs/dbraw/zinc/78/51/60/378785160.db2.gz XCMZEHOKQWTDJG-ZNMIVQPWSA-N 2 1 252.446 3.370 20 0 CGADMP COCC[NH+]1CCC([NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638444062 378804174 /nfs/dbraw/zinc/80/41/74/378804174.db2.gz WLUUVTGNEMBDAR-UHFFFAOYSA-N 2 1 292.467 3.110 20 0 CGADMP C[N@H+](CC[NH2+]C[C@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000348240497 378857797 /nfs/dbraw/zinc/85/77/97/378857797.db2.gz ICULADVAOZXLQU-AEFFLSMTSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@H]1C[C@H]1c1ccccc1)C1CCCC1 ZINC000348240497 378857804 /nfs/dbraw/zinc/85/78/04/378857804.db2.gz ICULADVAOZXLQU-AEFFLSMTSA-N 2 1 272.436 3.254 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(Cc3ccccc3)CCC2)CC1 ZINC000346949727 218067440 /nfs/dbraw/zinc/06/74/40/218067440.db2.gz WDAJDPDVLLCGNL-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000347004334 218089731 /nfs/dbraw/zinc/08/97/31/218089731.db2.gz AUSLSEYFBCERJB-INMHGKMJSA-N 2 1 260.425 3.239 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000347014314 218092173 /nfs/dbraw/zinc/09/21/73/218092173.db2.gz WRINDRNSLODMLG-SOLBZPMBSA-N 2 1 272.436 3.112 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274933616 378921539 /nfs/dbraw/zinc/92/15/39/378921539.db2.gz RKSUPZVRATYAST-YQQAZPJKSA-N 2 1 292.492 3.238 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000347043467 218103263 /nfs/dbraw/zinc/10/32/63/218103263.db2.gz MWDVQBIZHPTRAI-MAUKXSAKSA-N 2 1 290.451 3.281 20 0 CGADMP Cc1cc2cc(C[N@H+]3CCC[C@H](C[NH3+])C3)oc2cc1C ZINC000347086934 218116970 /nfs/dbraw/zinc/11/69/70/218116970.db2.gz DFQOVKNNGRTOIO-CQSZACIVSA-N 2 1 272.392 3.220 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347086524 218117766 /nfs/dbraw/zinc/11/77/66/218117766.db2.gz CHNITQAFKUDJDJ-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347086524 218117769 /nfs/dbraw/zinc/11/77/69/218117769.db2.gz CHNITQAFKUDJDJ-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000347103195 218122904 /nfs/dbraw/zinc/12/29/04/218122904.db2.gz MESATLWOOSHQFE-CQSZACIVSA-N 2 1 272.392 3.091 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000347103195 218122906 /nfs/dbraw/zinc/12/29/06/218122906.db2.gz MESATLWOOSHQFE-CQSZACIVSA-N 2 1 272.392 3.091 20 0 CGADMP CC(C)CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370306989 379005279 /nfs/dbraw/zinc/00/52/79/379005279.db2.gz XZFQRCQGZVSEGW-OAHLLOKOSA-N 2 1 275.440 3.445 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000347131580 218132721 /nfs/dbraw/zinc/13/27/21/218132721.db2.gz RIPODYXACWSPCS-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000347181895 218147683 /nfs/dbraw/zinc/14/76/83/218147683.db2.gz VOFBWBDAVMHHQJ-MRXNPFEDSA-N 2 1 288.435 3.179 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348878655 379095224 /nfs/dbraw/zinc/09/52/24/379095224.db2.gz RESBULCEKOEMTM-BSLJZLGVSA-N 2 1 284.447 3.347 20 0 CGADMP C[NH+](C[C@H]1C[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348878655 379095236 /nfs/dbraw/zinc/09/52/36/379095236.db2.gz RESBULCEKOEMTM-BSLJZLGVSA-N 2 1 284.447 3.347 20 0 CGADMP C[NH+](C[C@H]1C[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348878655 379095249 /nfs/dbraw/zinc/09/52/49/379095249.db2.gz RESBULCEKOEMTM-BSLJZLGVSA-N 2 1 284.447 3.347 20 0 CGADMP Clc1c[nH+]ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000277206710 379097203 /nfs/dbraw/zinc/09/72/03/379097203.db2.gz YOCAIRJSGQYMHB-UHFFFAOYSA-N 2 1 279.815 3.190 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000639259986 379204840 /nfs/dbraw/zinc/20/48/40/379204840.db2.gz YSWZEWHTPWFFHA-INIZCTEOSA-N 2 1 290.451 3.166 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000347524281 218263328 /nfs/dbraw/zinc/26/33/28/218263328.db2.gz CBYUPIAAHKBDQL-UKRRQHHQSA-N 2 1 264.438 3.273 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC34CC4)CC[N@H+]2C2CC2)cc1 ZINC000639276465 379220812 /nfs/dbraw/zinc/22/08/12/379220812.db2.gz BZUZZVAYJLLFQA-SZMVWBNQSA-N 2 1 282.431 3.497 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC34CC4)CC[N@@H+]2C2CC2)cc1 ZINC000639276465 379220816 /nfs/dbraw/zinc/22/08/16/379220816.db2.gz BZUZZVAYJLLFQA-SZMVWBNQSA-N 2 1 282.431 3.497 20 0 CGADMP COc1cccc(Cl)c1C[N@H+](C)CCCn1ccnc1 ZINC000349345908 379240560 /nfs/dbraw/zinc/24/05/60/379240560.db2.gz JSAFIVADPJHHNR-UHFFFAOYSA-N 2 1 293.798 3.067 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+](C)CCCn1ccnc1 ZINC000349345908 379240564 /nfs/dbraw/zinc/24/05/64/379240564.db2.gz JSAFIVADPJHHNR-UHFFFAOYSA-N 2 1 293.798 3.067 20 0 CGADMP C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccccc1 ZINC000373492540 379287617 /nfs/dbraw/zinc/28/76/17/379287617.db2.gz FIXIXHZOXFQZJP-ODIFPOPNSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000373492540 379287626 /nfs/dbraw/zinc/28/76/26/379287626.db2.gz FIXIXHZOXFQZJP-ODIFPOPNSA-N 2 1 258.409 3.354 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278926376 194215747 /nfs/dbraw/zinc/21/57/47/194215747.db2.gz IMFZGBXENDOINR-HOTGVXAUSA-N 2 1 283.419 3.413 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000278978591 379409036 /nfs/dbraw/zinc/40/90/36/379409036.db2.gz OLXNTNZNLIASBR-DZGCQCFKSA-N 2 1 299.418 3.342 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000639490102 379427268 /nfs/dbraw/zinc/42/72/68/379427268.db2.gz VTCYALFYHOQGFO-OAHLLOKOSA-N 2 1 299.418 3.034 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000639490102 379427276 /nfs/dbraw/zinc/42/72/76/379427276.db2.gz VTCYALFYHOQGFO-OAHLLOKOSA-N 2 1 299.418 3.034 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000350000857 379472536 /nfs/dbraw/zinc/47/25/36/379472536.db2.gz IQVCPFGWMSGNEF-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000350000857 379472542 /nfs/dbraw/zinc/47/25/42/379472542.db2.gz IQVCPFGWMSGNEF-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2cccnc2)C1 ZINC000639693636 379550950 /nfs/dbraw/zinc/55/09/50/379550950.db2.gz RHKIIPIKTKGJHE-ROUUACIJSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639693636 379550956 /nfs/dbraw/zinc/55/09/56/379550956.db2.gz RHKIIPIKTKGJHE-ROUUACIJSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639693636 379550966 /nfs/dbraw/zinc/55/09/66/379550966.db2.gz RHKIIPIKTKGJHE-ROUUACIJSA-N 2 1 287.451 3.135 20 0 CGADMP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000347653875 218308827 /nfs/dbraw/zinc/30/88/27/218308827.db2.gz PHNZHYRQYLENIA-UHFFFAOYSA-N 2 1 281.469 3.359 20 0 CGADMP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000347653875 218308829 /nfs/dbraw/zinc/30/88/29/218308829.db2.gz PHNZHYRQYLENIA-UHFFFAOYSA-N 2 1 281.469 3.359 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC000639759003 379571767 /nfs/dbraw/zinc/57/17/67/379571767.db2.gz ZJOMAAWVYCJNCI-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1c1ccccc1 ZINC000377084131 379628963 /nfs/dbraw/zinc/62/89/63/379628963.db2.gz QJTIJKPFJJXLJC-QGDPCDRISA-N 2 1 284.447 3.393 20 0 CGADMP CC1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000280599413 379743516 /nfs/dbraw/zinc/74/35/16/379743516.db2.gz NXDJFENTGGZYNS-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351848149 379746048 /nfs/dbraw/zinc/74/60/48/379746048.db2.gz CFQQCBIMJPHYGG-FIXISWKDSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351848149 379746053 /nfs/dbraw/zinc/74/60/53/379746053.db2.gz CFQQCBIMJPHYGG-FIXISWKDSA-N 2 1 268.351 3.085 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000267366291 190324656 /nfs/dbraw/zinc/32/46/56/190324656.db2.gz IYCLEWSVPKSWFI-WDEREUQCSA-N 2 1 253.777 3.020 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCC2CC2)CC1 ZINC000352348726 379775175 /nfs/dbraw/zinc/77/51/75/379775175.db2.gz DILUHMWAXZDZRR-UHFFFAOYSA-N 2 1 260.381 3.033 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535887 379847437 /nfs/dbraw/zinc/84/74/37/379847437.db2.gz WUBVOPHOFHPFCN-QGZVFWFLSA-N 2 1 286.444 3.477 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000392245495 379911149 /nfs/dbraw/zinc/91/11/49/379911149.db2.gz PORQPMIWIPQOGI-OAHLLOKOSA-N 2 1 284.447 3.478 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000382124894 379871405 /nfs/dbraw/zinc/87/14/05/379871405.db2.gz NLAWLBFAVFFNIE-JSGCOSHPSA-N 2 1 252.427 3.131 20 0 CGADMP Clc1cccc(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389156174 379894413 /nfs/dbraw/zinc/89/44/13/379894413.db2.gz XKAULDHQICQVRI-TXEJJXNPSA-N 2 1 299.245 3.425 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)c(C)o2)C1 ZINC000282331816 379899308 /nfs/dbraw/zinc/89/93/08/379899308.db2.gz UVDRHPQPLUFROO-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)c(C)o2)C1 ZINC000282331816 379899312 /nfs/dbraw/zinc/89/93/12/379899312.db2.gz UVDRHPQPLUFROO-HIFRSBDPSA-N 2 1 264.413 3.279 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749095 379938310 /nfs/dbraw/zinc/93/83/10/379938310.db2.gz LONSPOFFEQAEIZ-RYUDHWBXSA-N 2 1 269.458 3.119 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000399863030 379944374 /nfs/dbraw/zinc/94/43/74/379944374.db2.gz FAXNSPCXZXDKEH-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1C ZINC000399863030 379944379 /nfs/dbraw/zinc/94/43/79/379944379.db2.gz FAXNSPCXZXDKEH-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP CC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352825382 379986327 /nfs/dbraw/zinc/98/63/27/379986327.db2.gz PNGIHOKTJBSKEG-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352825382 379986334 /nfs/dbraw/zinc/98/63/34/379986334.db2.gz PNGIHOKTJBSKEG-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352825382 379986342 /nfs/dbraw/zinc/98/63/42/379986342.db2.gz PNGIHOKTJBSKEG-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP COc1ccc(C)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352914495 380036019 /nfs/dbraw/zinc/03/60/19/380036019.db2.gz LXEZIBPWEBLAET-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1ccc(C)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352914495 380036027 /nfs/dbraw/zinc/03/60/27/380036027.db2.gz LXEZIBPWEBLAET-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1ccc(C)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352914495 380036037 /nfs/dbraw/zinc/03/60/37/380036037.db2.gz LXEZIBPWEBLAET-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP COc1ccc(C)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352914495 380036042 /nfs/dbraw/zinc/03/60/42/380036042.db2.gz LXEZIBPWEBLAET-SJPCQFCGSA-N 2 1 288.435 3.061 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000409445277 380031462 /nfs/dbraw/zinc/03/14/62/380031462.db2.gz RMOWODWSBXHRMZ-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000279032200 194256990 /nfs/dbraw/zinc/25/69/90/194256990.db2.gz WHFZUCQNEISAMH-ZWKOTPCHSA-N 2 1 297.446 3.302 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411291382 380138572 /nfs/dbraw/zinc/13/85/72/380138572.db2.gz CIIUYFZKULLRKO-WBAXXEDZSA-N 2 1 290.426 3.345 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411291382 380138578 /nfs/dbraw/zinc/13/85/78/380138578.db2.gz CIIUYFZKULLRKO-WBAXXEDZSA-N 2 1 290.426 3.345 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000353099460 380114522 /nfs/dbraw/zinc/11/45/22/380114522.db2.gz XHLKRHFXUROFMP-DJIMGWMZSA-N 2 1 260.425 3.108 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000353099460 380114529 /nfs/dbraw/zinc/11/45/29/380114529.db2.gz XHLKRHFXUROFMP-DJIMGWMZSA-N 2 1 260.425 3.108 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CCC[NH2+]C(C)C)C2CCC2)o1 ZINC000571789062 322308103 /nfs/dbraw/zinc/30/81/03/322308103.db2.gz GLVHHQULJZFHCG-INIZCTEOSA-N 2 1 264.413 3.407 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2n[nH]cc2c1 ZINC000353199551 380163521 /nfs/dbraw/zinc/16/35/21/380163521.db2.gz JQFZCBSHTMDWFU-CJNGLKHVSA-N 2 1 286.423 3.088 20 0 CGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000286178926 380170617 /nfs/dbraw/zinc/17/06/17/380170617.db2.gz QTOKNQLAGDMIRO-INIZCTEOSA-N 2 1 257.381 3.241 20 0 CGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1 ZINC000642516316 380174922 /nfs/dbraw/zinc/17/49/22/380174922.db2.gz QQRMTOHEGBOOAG-UHFFFAOYSA-N 2 1 295.386 3.179 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414299429 380209955 /nfs/dbraw/zinc/20/99/55/380209955.db2.gz JSCXCBWDJFPZKQ-APIJFGDWSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414299429 380209959 /nfs/dbraw/zinc/20/99/59/380209959.db2.gz JSCXCBWDJFPZKQ-APIJFGDWSA-N 2 1 252.446 3.131 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C12CCCC2 ZINC000353580843 380212112 /nfs/dbraw/zinc/21/21/12/380212112.db2.gz XZMOOAGGWHQPOR-OWCLPIDISA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000353580843 380212120 /nfs/dbraw/zinc/21/21/20/380212120.db2.gz XZMOOAGGWHQPOR-OWCLPIDISA-N 2 1 282.472 3.043 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C)C[C@H]1C ZINC000353769284 380222341 /nfs/dbraw/zinc/22/23/41/380222341.db2.gz RBWRAUILTIYKQT-WBVHZDCISA-N 2 1 289.467 3.057 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C)C[C@H]1C ZINC000353769284 380222344 /nfs/dbraw/zinc/22/23/44/380222344.db2.gz RBWRAUILTIYKQT-WBVHZDCISA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N(C)C)C[C@H]1C ZINC000353769284 380222349 /nfs/dbraw/zinc/22/23/49/380222349.db2.gz RBWRAUILTIYKQT-WBVHZDCISA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N(C)C)C[C@H]1C ZINC000353769284 380222358 /nfs/dbraw/zinc/22/23/58/380222358.db2.gz RBWRAUILTIYKQT-WBVHZDCISA-N 2 1 289.467 3.057 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCCCC1 ZINC000643496608 380319136 /nfs/dbraw/zinc/31/91/36/380319136.db2.gz GWQAPCYTPPOGRW-OAHLLOKOSA-N 2 1 280.362 3.203 20 0 CGADMP CCCc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000643493366 380319181 /nfs/dbraw/zinc/31/91/81/380319181.db2.gz KYEHGFAFXPUWQQ-ARFHVFGLSA-N 2 1 291.439 3.028 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)n1 ZINC000643496634 380320760 /nfs/dbraw/zinc/32/07/60/380320760.db2.gz UKAJNBAQUXALKA-ZDUSSCGKSA-N 2 1 261.413 3.011 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000643498654 380321392 /nfs/dbraw/zinc/32/13/92/380321392.db2.gz SNSKAUCVRPEYNT-NSHDSACASA-N 2 1 267.442 3.154 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000643501500 380323000 /nfs/dbraw/zinc/32/30/00/380323000.db2.gz JDEUACPXFQRICC-ZBFHGGJFSA-N 2 1 260.425 3.084 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000643502852 380326426 /nfs/dbraw/zinc/32/64/26/380326426.db2.gz TYWGLJAJPHWHND-IXDOHACOSA-N 2 1 287.451 3.148 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000643511268 380331955 /nfs/dbraw/zinc/33/19/55/380331955.db2.gz KBZCKEALCULOHQ-DOMZBBRYSA-N 2 1 266.454 3.176 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCSC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414671593 380363690 /nfs/dbraw/zinc/36/36/90/380363690.db2.gz GNELJMNQLUPGOE-INMHGKMJSA-N 2 1 290.476 3.165 20 0 CGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000354220436 380368296 /nfs/dbraw/zinc/36/82/96/380368296.db2.gz YJVXTCUJFAOLGN-DLBZAZTESA-N 2 1 296.499 3.028 20 0 CGADMP COc1ccc2c(c1)C[N@@H+](CCC[NH3+])[C@H](c1ccccc1)C2 ZINC000414707353 380381887 /nfs/dbraw/zinc/38/18/87/380381887.db2.gz NRWGJKGBZAHXLX-IBGZPJMESA-N 2 1 296.414 3.143 20 0 CGADMP COc1ccc2c(c1)C[N@H+](CCC[NH3+])[C@H](c1ccccc1)C2 ZINC000414707353 380381890 /nfs/dbraw/zinc/38/18/90/380381890.db2.gz NRWGJKGBZAHXLX-IBGZPJMESA-N 2 1 296.414 3.143 20 0 CGADMP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643526312 380342359 /nfs/dbraw/zinc/34/23/59/380342359.db2.gz ZACOQCCVHDKHHF-UONOGXRCSA-N 2 1 264.413 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000414648781 380350121 /nfs/dbraw/zinc/35/01/21/380350121.db2.gz BKRSYFGLPPZGGY-QGZVFWFLSA-N 2 1 274.452 3.284 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643547203 380361628 /nfs/dbraw/zinc/36/16/28/380361628.db2.gz AZVZHRLVSQMFOD-NVXWUHKLSA-N 2 1 287.451 3.433 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414812643 380424102 /nfs/dbraw/zinc/42/41/02/380424102.db2.gz LDCJQPYFZCBUNI-WFASDCNBSA-N 2 1 268.832 3.378 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414816553 380427722 /nfs/dbraw/zinc/42/77/22/380427722.db2.gz PZRQCBLCQGNSIP-GFCCVEGCSA-N 2 1 290.329 3.192 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(OC(C)C)c1 ZINC000414817964 380427933 /nfs/dbraw/zinc/42/79/33/380427933.db2.gz UJSQSJGEWVHJBV-OAHLLOKOSA-N 2 1 264.413 3.081 20 0 CGADMP c1ccc(OC2CCCC2)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414838706 380445837 /nfs/dbraw/zinc/44/58/37/380445837.db2.gz XFDKHZDRCVCXEL-OAHLLOKOSA-N 2 1 288.435 3.097 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc2n1 ZINC000414841511 380447395 /nfs/dbraw/zinc/44/73/95/380447395.db2.gz NILHNWKLYWUPEI-MRXNPFEDSA-N 2 1 271.408 3.006 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000414843167 380449607 /nfs/dbraw/zinc/44/96/07/380449607.db2.gz PULHDJFENSNYRI-OAHLLOKOSA-N 2 1 298.430 3.307 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414776804 380398789 /nfs/dbraw/zinc/39/87/89/380398789.db2.gz HTRDNIONMJLONP-GDBMZVCRSA-N 2 1 292.854 3.470 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Br)cc1 ZINC000414809609 380422461 /nfs/dbraw/zinc/42/24/61/380422461.db2.gz VTQMBNSBAAGWFY-UHFFFAOYSA-N 2 1 285.229 3.056 20 0 CGADMP Cc1ccc(COc2ccc(C[NH2+][C@H](C)C[NH3+])cc2)cc1 ZINC000414924064 380492286 /nfs/dbraw/zinc/49/22/86/380492286.db2.gz GEQSVRLBQXALKH-OAHLLOKOSA-N 2 1 284.403 3.011 20 0 CGADMP C[C@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414859889 380459946 /nfs/dbraw/zinc/45/99/46/380459946.db2.gz UXDACAQTVXZMJS-QWRGUYRKSA-N 2 1 287.234 3.471 20 0 CGADMP c1c2ccccc2oc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880614 380471641 /nfs/dbraw/zinc/47/16/41/380471641.db2.gz QQFGLXZRUHUBFC-UHFFFAOYSA-N 2 1 295.386 3.097 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414882492 380474048 /nfs/dbraw/zinc/47/40/48/380474048.db2.gz MPLPTUUREAEZJQ-QWHCGFSZSA-N 2 1 287.234 3.266 20 0 CGADMP c1csc(-c2ncc(C[NH2+]CC[C@H]3CCC[NH2+]3)s2)c1 ZINC000414902285 380482028 /nfs/dbraw/zinc/48/20/28/380482028.db2.gz HPDIVJPMBAJHSC-LLVKDONJSA-N 2 1 293.461 3.103 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC12CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417345240 380601525 /nfs/dbraw/zinc/60/15/25/380601525.db2.gz XILSXCNDSDBGIE-CGTJXYLNSA-N 2 1 284.447 3.287 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC34CC4)CC2)cc1 ZINC000417355712 380605862 /nfs/dbraw/zinc/60/58/62/380605862.db2.gz DNMZVFLREGFMDL-QGZVFWFLSA-N 2 1 284.447 3.083 20 0 CGADMP C[C@H]([NH2+]CC1=CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000645854118 380753406 /nfs/dbraw/zinc/75/34/06/380753406.db2.gz VKTYLXRARXIWEA-HOCLYGCPSA-N 2 1 262.441 3.339 20 0 CGADMP CCOc1ccccc1C[N@@H+](C)CCc1ccncc1C ZINC000645778722 380727760 /nfs/dbraw/zinc/72/77/60/380727760.db2.gz WGFJXHZJKQDZAK-UHFFFAOYSA-N 2 1 284.403 3.463 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(F)cccc2F)C[C@H]1C ZINC000645811793 380739614 /nfs/dbraw/zinc/73/96/14/380739614.db2.gz KCAVDHXUVFPZRM-ZIAGYGMSSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2c(F)cccc2F)C[C@H]1C ZINC000645811793 380739617 /nfs/dbraw/zinc/73/96/17/380739617.db2.gz KCAVDHXUVFPZRM-ZIAGYGMSSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2c(F)cccc2F)C[C@H]1C ZINC000645811793 380739619 /nfs/dbraw/zinc/73/96/19/380739619.db2.gz KCAVDHXUVFPZRM-ZIAGYGMSSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2c(F)cccc2F)C[C@H]1C ZINC000645811793 380739624 /nfs/dbraw/zinc/73/96/24/380739624.db2.gz KCAVDHXUVFPZRM-ZIAGYGMSSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]CCc1ccc(F)cc1Cl ZINC000356167896 380791853 /nfs/dbraw/zinc/79/18/53/380791853.db2.gz PARVRLWHXXGWNL-GFCCVEGCSA-N 2 1 286.822 3.342 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420293660 380844245 /nfs/dbraw/zinc/84/42/45/380844245.db2.gz AAVHDHVRZFMMFL-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420301626 380845782 /nfs/dbraw/zinc/84/57/82/380845782.db2.gz LSEWHNBGSMWUMQ-QWHCGFSZSA-N 2 1 294.389 3.274 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H](C)[NH3+] ZINC000420324436 380847906 /nfs/dbraw/zinc/84/79/06/380847906.db2.gz VIVLDJWMANZMOD-LLVKDONJSA-N 2 1 285.229 3.007 20 0 CGADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H](C)[NH3+] ZINC000420324436 380847913 /nfs/dbraw/zinc/84/79/13/380847913.db2.gz VIVLDJWMANZMOD-LLVKDONJSA-N 2 1 285.229 3.007 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C(C)C)C2CCC2)cc1 ZINC000420310470 380849413 /nfs/dbraw/zinc/84/94/13/380849413.db2.gz VAHZLUIAPFYLPK-HNNXBMFYSA-N 2 1 276.424 3.000 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420383610 380852595 /nfs/dbraw/zinc/85/25/95/380852595.db2.gz DLAOGNCEQWPQGA-SJLPKXTDSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333229 380852951 /nfs/dbraw/zinc/85/29/51/380852951.db2.gz SMOOQYLYGOYHNZ-MGPQQGTHSA-N 2 1 294.389 3.347 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC3(C2)CCCCC3)CCCO1 ZINC000421393834 380943334 /nfs/dbraw/zinc/94/33/34/380943334.db2.gz PDZAKVZHOXUZGZ-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC3(C2)CCCCC3)CCCO1 ZINC000421393834 380943344 /nfs/dbraw/zinc/94/33/44/380943344.db2.gz PDZAKVZHOXUZGZ-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000360240549 381493945 /nfs/dbraw/zinc/49/39/45/381493945.db2.gz FYJRIMVRYDYXHD-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000360240549 381493952 /nfs/dbraw/zinc/49/39/52/381493952.db2.gz FYJRIMVRYDYXHD-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)[NH+]1CCCC1 ZINC000360998320 381642313 /nfs/dbraw/zinc/64/23/13/381642313.db2.gz PEQSOJZMRSGUJI-OWCLPIDISA-N 2 1 282.472 3.043 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361768450 381868080 /nfs/dbraw/zinc/86/80/80/381868080.db2.gz YWTMBXMMGWQCCC-VYDXJSESSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361768450 381868084 /nfs/dbraw/zinc/86/80/84/381868084.db2.gz YWTMBXMMGWQCCC-VYDXJSESSA-N 2 1 288.435 3.281 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362913209 382144369 /nfs/dbraw/zinc/14/43/69/382144369.db2.gz PZGPIVFIAYQKND-ZDUSSCGKSA-N 2 1 289.398 3.129 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000232671463 542306751 /nfs/dbraw/zinc/30/67/51/542306751.db2.gz HNMQYTCKYDVJMK-INIZCTEOSA-N 2 1 283.419 3.055 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364318189 382269614 /nfs/dbraw/zinc/26/96/14/382269614.db2.gz ZBFBZENPIBSRSZ-YLFCFFPRSA-N 2 1 262.441 3.195 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000367116585 382332837 /nfs/dbraw/zinc/33/28/37/382332837.db2.gz FHMDFVAQQFROOZ-GOSISDBHSA-N 2 1 299.418 3.125 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000367116585 382332840 /nfs/dbraw/zinc/33/28/40/382332840.db2.gz FHMDFVAQQFROOZ-GOSISDBHSA-N 2 1 299.418 3.125 20 0 CGADMP FCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000367206379 382339959 /nfs/dbraw/zinc/33/99/59/382339959.db2.gz QIJFCPOOZAOFFP-INIZCTEOSA-N 2 1 270.436 3.324 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000251902924 542348657 /nfs/dbraw/zinc/34/86/57/542348657.db2.gz WZZXVRLXSDKMRS-JMSVASOKSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000251902924 542348658 /nfs/dbraw/zinc/34/86/58/542348658.db2.gz WZZXVRLXSDKMRS-JMSVASOKSA-N 2 1 266.816 3.460 20 0 CGADMP FC(F)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000335259459 208045932 /nfs/dbraw/zinc/04/59/32/208045932.db2.gz VBBDMFWQYCYYAL-GASCZTMLSA-N 2 1 280.362 3.056 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000271815520 542366738 /nfs/dbraw/zinc/36/67/38/542366738.db2.gz BIENNHLKTOCAGI-HNNXBMFYSA-N 2 1 292.423 3.214 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(F)c2)C[C@H]1C ZINC000353748261 220302667 /nfs/dbraw/zinc/30/26/67/220302667.db2.gz HDYFZUGDUMIWCA-GDBMZVCRSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(F)c2)C[C@H]1C ZINC000353748261 220302668 /nfs/dbraw/zinc/30/26/68/220302668.db2.gz HDYFZUGDUMIWCA-GDBMZVCRSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)C[C@H]1C ZINC000353748261 220302669 /nfs/dbraw/zinc/30/26/69/220302669.db2.gz HDYFZUGDUMIWCA-GDBMZVCRSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C[C@H]1C ZINC000353748261 220302670 /nfs/dbraw/zinc/30/26/70/220302670.db2.gz HDYFZUGDUMIWCA-GDBMZVCRSA-N 2 1 278.415 3.439 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ncc[nH]1 ZINC000285694625 542388980 /nfs/dbraw/zinc/38/89/80/542388980.db2.gz OQEYOKHMGHMGOJ-OAHLLOKOSA-N 2 1 298.434 3.246 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)CC1CC[NH+](C)CC1 ZINC000289284791 197285135 /nfs/dbraw/zinc/28/51/35/197285135.db2.gz GMXBQQVYMXBSRS-ONEGZZNKSA-N 2 1 294.389 3.252 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000359220935 533101001 /nfs/dbraw/zinc/10/10/01/533101001.db2.gz ODBKXCPNROIXIF-CQSZACIVSA-N 2 1 276.424 3.078 20 0 CGADMP CSCC[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000353882406 220384214 /nfs/dbraw/zinc/38/42/14/220384214.db2.gz QAYOFVPSTCGDAG-UHFFFAOYSA-N 2 1 294.508 3.439 20 0 CGADMP CSCC[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000353882406 220384218 /nfs/dbraw/zinc/38/42/18/220384218.db2.gz QAYOFVPSTCGDAG-UHFFFAOYSA-N 2 1 294.508 3.439 20 0 CGADMP CSCC[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000353882406 220384220 /nfs/dbraw/zinc/38/42/20/220384220.db2.gz QAYOFVPSTCGDAG-UHFFFAOYSA-N 2 1 294.508 3.439 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c1OC ZINC000423260644 533173176 /nfs/dbraw/zinc/17/31/76/533173176.db2.gz HVFAWPBJOXTDJV-UONOGXRCSA-N 2 1 294.439 3.036 20 0 CGADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423314385 533178693 /nfs/dbraw/zinc/17/86/93/533178693.db2.gz GXSGIUFOCMETBU-MSOLQXFVSA-N 2 1 290.451 3.499 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000311901991 572524760 /nfs/dbraw/zinc/52/47/60/572524760.db2.gz YGJAXONGZIKYMX-UHFFFAOYSA-N 2 1 272.314 3.019 20 0 CGADMP C[N@@H+](CCC[NH2+]CC1(C)CCC1)C1CCCCC1 ZINC000336797234 542479053 /nfs/dbraw/zinc/47/90/53/542479053.db2.gz ZUWBABYSBJGRNZ-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000282465974 195617847 /nfs/dbraw/zinc/61/78/47/195617847.db2.gz VXMBFDQJITZPGT-WMLDXEAASA-N 2 1 285.435 3.030 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(SCC(F)F)cc1 ZINC000423287873 533352261 /nfs/dbraw/zinc/35/22/61/533352261.db2.gz OZSGJLUYYMERKE-SNVBAGLBSA-N 2 1 288.407 3.432 20 0 CGADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc2c(ccc3ccccc23)o1 ZINC000423308766 533369320 /nfs/dbraw/zinc/36/93/20/533369320.db2.gz YHZWGRMXRFVAJC-GFCCVEGCSA-N 2 1 280.371 3.456 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1csc(Cl)c1 ZINC000423375888 533524461 /nfs/dbraw/zinc/52/44/61/533524461.db2.gz IZXRGPVMCAWWGA-FXPVBKGRSA-N 2 1 258.818 3.193 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000423379366 533498207 /nfs/dbraw/zinc/49/82/07/533498207.db2.gz XJPMGUBNQKAEGE-LSDHHAIUSA-N 2 1 284.403 3.263 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(OCc2ccccc2)c1 ZINC000423362501 533498234 /nfs/dbraw/zinc/49/82/34/533498234.db2.gz IFTJQPKYJZARAT-LSDHHAIUSA-N 2 1 284.403 3.263 20 0 CGADMP CSCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367617706 533548600 /nfs/dbraw/zinc/54/86/00/533548600.db2.gz RDFYHKACJDCMIC-ARFHVFGLSA-N 2 1 284.513 3.372 20 0 CGADMP c1c[nH+]c(C2CCN(c3cc[nH+]c4ccccc43)CC2)[nH]1 ZINC000264789952 285424183 /nfs/dbraw/zinc/42/41/83/285424183.db2.gz ALYPLTMILMFXIA-UHFFFAOYSA-N 2 1 278.359 3.342 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000423260901 533614353 /nfs/dbraw/zinc/61/43/53/533614353.db2.gz IRADGUAXIQBFIU-UONOGXRCSA-N 2 1 294.439 3.036 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000385487079 542601855 /nfs/dbraw/zinc/60/18/55/542601855.db2.gz PKQLAUXHGCKGKN-FFHGMXDLSA-N 2 1 252.446 3.274 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000191477198 130240357 /nfs/dbraw/zinc/24/03/57/130240357.db2.gz KDEAHDRUICSKJQ-OAHLLOKOSA-N 2 1 286.423 3.314 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000191477198 130240359 /nfs/dbraw/zinc/24/03/59/130240359.db2.gz KDEAHDRUICSKJQ-OAHLLOKOSA-N 2 1 286.423 3.314 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000414169235 542634054 /nfs/dbraw/zinc/63/40/54/542634054.db2.gz AXMHOVZMMWRERJ-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000414209291 542634907 /nfs/dbraw/zinc/63/49/07/542634907.db2.gz MZLQLFPMXWZWIE-SZMVWBNQSA-N 2 1 290.451 3.084 20 0 CGADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000414209291 542634911 /nfs/dbraw/zinc/63/49/11/542634911.db2.gz MZLQLFPMXWZWIE-SZMVWBNQSA-N 2 1 290.451 3.084 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000414217964 542635196 /nfs/dbraw/zinc/63/51/96/542635196.db2.gz FHLHEVAEZOEALM-OAGGEKHMSA-N 2 1 258.409 3.210 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000414217964 542635197 /nfs/dbraw/zinc/63/51/97/542635197.db2.gz FHLHEVAEZOEALM-OAGGEKHMSA-N 2 1 258.409 3.210 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000414919961 542639224 /nfs/dbraw/zinc/63/92/24/542639224.db2.gz WFMZGWXQNYVPLU-WDEREUQCSA-N 2 1 270.779 3.147 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000414921396 542639718 /nfs/dbraw/zinc/63/97/18/542639718.db2.gz FMGYVKWMDLIWBT-MNOVXSKESA-N 2 1 293.461 3.231 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000414930056 542640953 /nfs/dbraw/zinc/64/09/53/542640953.db2.gz SJBYIPIRJWVOTK-NWDGAFQWSA-N 2 1 293.461 3.231 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000414930058 542641040 /nfs/dbraw/zinc/64/10/40/542641040.db2.gz SJBYIPIRJWVOTK-VXGBXAGGSA-N 2 1 293.461 3.231 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC000048068350 391993404 /nfs/dbraw/zinc/99/34/04/391993404.db2.gz PMCICUXULSLQNA-GASCZTMLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000036908352 391978845 /nfs/dbraw/zinc/97/88/45/391978845.db2.gz XRCYVSZJJYKQKG-HLLBOEOZSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000090721662 392229282 /nfs/dbraw/zinc/22/92/82/392229282.db2.gz RMISWLVNSHVBOF-SLTXQBBLSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000090721662 392229287 /nfs/dbraw/zinc/22/92/87/392229287.db2.gz RMISWLVNSHVBOF-SLTXQBBLSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H]1CC[NH+]([C@H](C)CC[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000431613835 542653125 /nfs/dbraw/zinc/65/31/25/542653125.db2.gz JRVMTFZMSZJBFL-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000431613835 542653127 /nfs/dbraw/zinc/65/31/27/542653127.db2.gz JRVMTFZMSZJBFL-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@@H](CC)C2)C1 ZINC000431613835 542653130 /nfs/dbraw/zinc/65/31/30/542653130.db2.gz JRVMTFZMSZJBFL-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOC2CCCCCC2)CC1 ZINC000429554677 542651963 /nfs/dbraw/zinc/65/19/63/542651963.db2.gz JZKCPLHTIROGJA-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000249376541 131120880 /nfs/dbraw/zinc/12/08/80/131120880.db2.gz KQLUNVXWSMHONR-KGLIPLIRSA-N 2 1 272.392 3.425 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000249376541 131120881 /nfs/dbraw/zinc/12/08/81/131120881.db2.gz KQLUNVXWSMHONR-KGLIPLIRSA-N 2 1 272.392 3.425 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250193333 131124611 /nfs/dbraw/zinc/12/46/11/131124611.db2.gz ANUWTPZFQAGCAC-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC000453399815 542681944 /nfs/dbraw/zinc/68/19/44/542681944.db2.gz LPTFHLFNXZAERZ-KRWDZBQOSA-N 2 1 276.399 3.277 20 0 CGADMP c1cc2c(nc[nH+]c2NC2CC[NH+](CC3CCCC3)CC2)[nH]1 ZINC000263723961 131316571 /nfs/dbraw/zinc/31/65/71/131316571.db2.gz BTEPCQRNVINNOG-UHFFFAOYSA-N 2 1 299.422 3.024 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000116385161 392390475 /nfs/dbraw/zinc/39/04/75/392390475.db2.gz XVWNPSDMIOSEGO-MRXNPFEDSA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126562800 392442876 /nfs/dbraw/zinc/44/28/76/392442876.db2.gz DTVWCPCIQTWDFJ-FGTMMUONSA-N 2 1 272.436 3.224 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccc4ccccc4c3)C2)C1 ZINC000366482155 392454297 /nfs/dbraw/zinc/45/42/97/392454297.db2.gz MRZHZXQYPILJSZ-HXUWFJFHSA-N 2 1 294.442 3.410 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccc4ccccc4c3)C2)C1 ZINC000366482155 392454304 /nfs/dbraw/zinc/45/43/04/392454304.db2.gz MRZHZXQYPILJSZ-HXUWFJFHSA-N 2 1 294.442 3.410 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccc4ccccc4c3)C2)C1 ZINC000366482155 392454310 /nfs/dbraw/zinc/45/43/10/392454310.db2.gz MRZHZXQYPILJSZ-HXUWFJFHSA-N 2 1 294.442 3.410 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)CC[N@H+]1C ZINC000132084682 392459095 /nfs/dbraw/zinc/45/90/95/392459095.db2.gz LTOMBYUONDJUON-RHSMWYFYSA-N 2 1 290.426 3.320 20 0 CGADMP Cc1c[nH+]ccc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000366884939 392459492 /nfs/dbraw/zinc/45/94/92/392459492.db2.gz WSRABDBHSCBVBS-QGZVFWFLSA-N 2 1 281.403 3.101 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000151926504 392490190 /nfs/dbraw/zinc/49/01/90/392490190.db2.gz ZTRAWBVQVZYDLB-ZDUSSCGKSA-N 2 1 266.454 3.401 20 0 CGADMP FCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159014419 392579606 /nfs/dbraw/zinc/57/96/06/392579606.db2.gz YOFJTUHOJPDPMK-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP CS[C@H]1CCCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162585210 392597950 /nfs/dbraw/zinc/59/79/50/392597950.db2.gz PKGCFHTWXNUPMM-HNNXBMFYSA-N 2 1 281.469 3.189 20 0 CGADMP CS[C@H]1CCCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162585210 392597955 /nfs/dbraw/zinc/59/79/55/392597955.db2.gz PKGCFHTWXNUPMM-HNNXBMFYSA-N 2 1 281.469 3.189 20 0 CGADMP CN1CC[C@@H](C[N@@H+](C)[C@@H]2C=CCCC2)[C@@H]1c1cccnc1 ZINC000372574919 392619303 /nfs/dbraw/zinc/61/93/03/392619303.db2.gz PTLQYTKRPJUPHU-KSZLIROESA-N 2 1 285.435 3.115 20 0 CGADMP Cc1cccc(C2([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)c1 ZINC000647332674 392679139 /nfs/dbraw/zinc/67/91/39/392679139.db2.gz BXEBTXSVDYOFAL-RDJZCZTQSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1cccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)c1 ZINC000647332674 392679148 /nfs/dbraw/zinc/67/91/48/392679148.db2.gz BXEBTXSVDYOFAL-RDJZCZTQSA-N 2 1 272.436 3.447 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284120 392635941 /nfs/dbraw/zinc/63/59/41/392635941.db2.gz CJIPXJLMRATUJG-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284120 392635944 /nfs/dbraw/zinc/63/59/44/392635944.db2.gz CJIPXJLMRATUJG-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000372806653 392638835 /nfs/dbraw/zinc/63/88/35/392638835.db2.gz PUBQSJUKMNACSB-UHFFFAOYSA-N 2 1 289.467 3.301 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000647343742 392692839 /nfs/dbraw/zinc/69/28/39/392692839.db2.gz BMGKRLSBMUWFRN-QYZOEREBSA-N 2 1 286.463 3.356 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647499064 392743004 /nfs/dbraw/zinc/74/30/04/392743004.db2.gz YSMHLUGGSMDRHH-DOTOQJQBSA-N 2 1 290.451 3.425 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534741 392756155 /nfs/dbraw/zinc/75/61/55/392756155.db2.gz VEOHDRBJVJNGRV-BVBHFADKSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534741 392756160 /nfs/dbraw/zinc/75/61/60/392756160.db2.gz VEOHDRBJVJNGRV-BVBHFADKSA-N 2 1 284.447 3.181 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647543582 392759578 /nfs/dbraw/zinc/75/95/78/392759578.db2.gz PUSYNEVHUOEVMQ-KGLIPLIRSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647544072 392760449 /nfs/dbraw/zinc/76/04/49/392760449.db2.gz VZPNYFMIKKRBLH-LSDHHAIUSA-N 2 1 278.465 3.268 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331106561 392695688 /nfs/dbraw/zinc/69/56/88/392695688.db2.gz GRIQSLQUVIFXLH-QXSJWSMHSA-N 2 1 295.471 3.038 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647708405 392786771 /nfs/dbraw/zinc/78/67/71/392786771.db2.gz KYZUKVTVHFGGBF-GOSISDBHSA-N 2 1 281.403 3.123 20 0 CGADMP Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879892 392823041 /nfs/dbraw/zinc/82/30/41/392823041.db2.gz VCQQCOAKOHABMH-QWHCGFSZSA-N 2 1 296.817 3.096 20 0 CGADMP Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879892 392823044 /nfs/dbraw/zinc/82/30/44/392823044.db2.gz VCQQCOAKOHABMH-QWHCGFSZSA-N 2 1 296.817 3.096 20 0 CGADMP c1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000647879588 392823181 /nfs/dbraw/zinc/82/31/81/392823181.db2.gz VPHUYJMYDKKTHR-KRWDZBQOSA-N 2 1 272.436 3.431 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957085 392843602 /nfs/dbraw/zinc/84/36/02/392843602.db2.gz MSYGXTDOKNPYEL-QZTJIDSGSA-N 2 1 270.420 3.140 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924151 392835011 /nfs/dbraw/zinc/83/50/11/392835011.db2.gz IXBFFUSZIMVVRA-NSHDSACASA-N 2 1 252.789 3.214 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519705908 392884760 /nfs/dbraw/zinc/88/47/60/392884760.db2.gz JPEWOGKMOJYUHQ-SFHVURJKSA-N 2 1 284.403 3.317 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000647967707 392848916 /nfs/dbraw/zinc/84/89/16/392848916.db2.gz WTQFINAJXYWUND-IRXDYDNUSA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000647967707 392848920 /nfs/dbraw/zinc/84/89/20/392848920.db2.gz WTQFINAJXYWUND-IRXDYDNUSA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000647990863 392858930 /nfs/dbraw/zinc/85/89/30/392858930.db2.gz ORJVOOOLTGNJQH-RDJZCZTQSA-N 2 1 287.451 3.027 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000647992261 392860247 /nfs/dbraw/zinc/86/02/47/392860247.db2.gz YHMOCOFMCQMWPJ-ABAIWWIYSA-N 2 1 268.351 3.005 20 0 CGADMP Cc1cc(NCc2ccccc2C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000193095405 392869770 /nfs/dbraw/zinc/86/97/70/392869770.db2.gz WMKYBTXMGGRFCS-UHFFFAOYSA-N 2 1 296.418 3.301 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000519641843 392875551 /nfs/dbraw/zinc/87/55/51/392875551.db2.gz VNFDWTOLFAZEFT-FOGDFJRCSA-N 2 1 270.779 3.270 20 0 CGADMP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc2[nH+]1 ZINC000338749201 392926442 /nfs/dbraw/zinc/92/64/42/392926442.db2.gz YKPQZQZGTAVFES-IBGZPJMESA-N 2 1 295.430 3.465 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000392298563 392929550 /nfs/dbraw/zinc/92/95/50/392929550.db2.gz XRSTYCNEDKWTJX-INIZCTEOSA-N 2 1 262.441 3.341 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000517267794 542736641 /nfs/dbraw/zinc/73/66/41/542736641.db2.gz KGBHQULCKUPUTM-GFCCVEGCSA-N 2 1 286.822 3.342 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459505034 392945860 /nfs/dbraw/zinc/94/58/60/392945860.db2.gz IQWCSVRYZMVDAE-ZDUSSCGKSA-N 2 1 278.362 3.180 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459785747 392955576 /nfs/dbraw/zinc/95/55/76/392955576.db2.gz PDTLPIYPDJYAPH-USXIJHARSA-N 2 1 264.457 3.300 20 0 CGADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@H](C[NH+](C)C)C2)C[C@@H](C)C1 ZINC000461359913 392963548 /nfs/dbraw/zinc/96/35/48/392963548.db2.gz GRHKIMPLAWQEHF-LTIDMASMSA-N 2 1 266.473 3.332 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648433228 393014063 /nfs/dbraw/zinc/01/40/63/393014063.db2.gz MTLRCDFJRMJAMJ-VQIMIIECSA-N 2 1 286.463 3.256 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414991750 393083067 /nfs/dbraw/zinc/08/30/67/393083067.db2.gz AZHFOXZWPRDDLS-XQQFMLRXSA-N 2 1 262.388 3.036 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1Oc1cccnc1 ZINC000415011973 393095413 /nfs/dbraw/zinc/09/54/13/393095413.db2.gz RRAXKWTUCIJRQA-KGLIPLIRSA-N 2 1 285.391 3.008 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCCO1 ZINC000249377211 393103958 /nfs/dbraw/zinc/10/39/58/393103958.db2.gz PXJOTGGNFNKFNU-ZWKOTPCHSA-N 2 1 294.483 3.144 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415035133 393105022 /nfs/dbraw/zinc/10/50/22/393105022.db2.gz DKNKMVYMPSYJEQ-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000414061022 393036919 /nfs/dbraw/zinc/03/69/19/393036919.db2.gz BERMLHJCAZAFQB-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000414670771 393050274 /nfs/dbraw/zinc/05/02/74/393050274.db2.gz MSIVUZQVONDJQX-MKBNYLNASA-N 2 1 296.817 3.347 20 0 CGADMP Cc1cc(F)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000414670771 393050278 /nfs/dbraw/zinc/05/02/78/393050278.db2.gz MSIVUZQVONDJQX-MKBNYLNASA-N 2 1 296.817 3.347 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414710897 393052094 /nfs/dbraw/zinc/05/20/94/393052094.db2.gz SVPHOYZYVIAYOG-GZBFAFLISA-N 2 1 278.465 3.445 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414818311 393055156 /nfs/dbraw/zinc/05/51/56/393055156.db2.gz VGNCZBCKOZQDCD-HTAVTVPLSA-N 2 1 266.351 3.215 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000246440376 393059004 /nfs/dbraw/zinc/05/90/04/393059004.db2.gz NHTRAKCCAHFKNM-ZJPYXAASSA-N 2 1 296.499 3.028 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414956971 393065143 /nfs/dbraw/zinc/06/51/43/393065143.db2.gz QMVPUPXJRRUZJD-UXLLHSPISA-N 2 1 260.425 3.046 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000415038601 393107498 /nfs/dbraw/zinc/10/74/98/393107498.db2.gz IAIIKXYUOONOEN-CQSZACIVSA-N 2 1 286.341 3.313 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414976046 393074458 /nfs/dbraw/zinc/07/44/58/393074458.db2.gz PPJBFKDIOGVQHQ-SNVBAGLBSA-N 2 1 292.370 3.245 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052293 393115638 /nfs/dbraw/zinc/11/56/38/393115638.db2.gz NCSSDVKRKNKJAY-AEFFLSMTSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000415058280 393120174 /nfs/dbraw/zinc/12/01/74/393120174.db2.gz VFTSHZJGEXQAIR-ZDUSSCGKSA-N 2 1 254.805 3.111 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415060177 393122162 /nfs/dbraw/zinc/12/21/62/393122162.db2.gz YIPWLEWNWYJFDV-DZGCQCFKSA-N 2 1 293.480 3.231 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415060177 393122165 /nfs/dbraw/zinc/12/21/65/393122165.db2.gz YIPWLEWNWYJFDV-DZGCQCFKSA-N 2 1 293.480 3.231 20 0 CGADMP c1nc(-c2ccccc2)sc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415063593 393123423 /nfs/dbraw/zinc/12/34/23/393123423.db2.gz AMRJLSGRCMQCSE-UHFFFAOYSA-N 2 1 287.432 3.042 20 0 CGADMP CC[C@H](C[NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000415063525 393124119 /nfs/dbraw/zinc/12/41/19/393124119.db2.gz ILCSMYVGCBRIRW-RHSMWYFYSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H](CCc1ccccc1F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063945 393124568 /nfs/dbraw/zinc/12/45/68/393124568.db2.gz JHJWGYODHINQOM-SUMWQHHRSA-N 2 1 278.415 3.254 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071224 393128103 /nfs/dbraw/zinc/12/81/03/393128103.db2.gz WDJXYOOTEVPTMI-PBHICJAKSA-N 2 1 260.425 3.115 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071227 393128466 /nfs/dbraw/zinc/12/84/66/393128466.db2.gz WDJXYOOTEVPTMI-WMLDXEAASA-N 2 1 260.425 3.115 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@@H](C[NH3+])C3CCCC3)cc2s1 ZINC000415072354 393129961 /nfs/dbraw/zinc/12/99/61/393129961.db2.gz XXCNKYQOGGNCGE-HNNXBMFYSA-N 2 1 289.448 3.212 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000415082078 393135632 /nfs/dbraw/zinc/13/56/32/393135632.db2.gz LGEVOMQBDCAHJI-ABAIWWIYSA-N 2 1 266.816 3.290 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415087332 393138263 /nfs/dbraw/zinc/13/82/63/393138263.db2.gz SSSRDXUCJMPURZ-WBMJQRKESA-N 2 1 282.378 3.395 20 0 CGADMP CC(C)c1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000261629270 393141368 /nfs/dbraw/zinc/14/13/68/393141368.db2.gz CLYRVJQWQQYBCD-OAHLLOKOSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000261884124 393143092 /nfs/dbraw/zinc/14/30/92/393143092.db2.gz RNKBPAKAVPCSIV-COXVUDFISA-N 2 1 276.399 3.208 20 0 CGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCc2cccnc21 ZINC000262026714 393145441 /nfs/dbraw/zinc/14/54/41/393145441.db2.gz WRRASHCWXAXKJJ-QGZVFWFLSA-N 2 1 287.451 3.171 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000415133243 393154933 /nfs/dbraw/zinc/15/49/33/393154933.db2.gz MUCHTBHMRNETHF-UHFFFAOYSA-N 2 1 298.430 3.404 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000415133243 393154940 /nfs/dbraw/zinc/15/49/40/393154940.db2.gz MUCHTBHMRNETHF-UHFFFAOYSA-N 2 1 298.430 3.404 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000353756001 393231488 /nfs/dbraw/zinc/23/14/88/393231488.db2.gz UVJVBFCOZUTQKC-DDBAPUKQSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000353756001 393231490 /nfs/dbraw/zinc/23/14/90/393231490.db2.gz UVJVBFCOZUTQKC-DDBAPUKQSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000353756001 393231492 /nfs/dbraw/zinc/23/14/92/393231492.db2.gz UVJVBFCOZUTQKC-DDBAPUKQSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000353756001 393231495 /nfs/dbraw/zinc/23/14/95/393231495.db2.gz UVJVBFCOZUTQKC-DDBAPUKQSA-N 2 1 272.436 3.205 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000353940898 393235502 /nfs/dbraw/zinc/23/55/02/393235502.db2.gz CWKOKDLADSVPEJ-IKGGRYGDSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)n1nccc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000353924356 393235547 /nfs/dbraw/zinc/23/55/47/393235547.db2.gz BPULNUPAGDSNTQ-MRXNPFEDSA-N 2 1 292.471 3.066 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(C)(C)C ZINC000646243259 393245223 /nfs/dbraw/zinc/24/52/23/393245223.db2.gz QCIFJLAPDQGNGY-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C(C)(C)C ZINC000646243259 393245231 /nfs/dbraw/zinc/24/52/31/393245231.db2.gz QCIFJLAPDQGNGY-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(C)(C)C ZINC000646243259 393245236 /nfs/dbraw/zinc/24/52/36/393245236.db2.gz QCIFJLAPDQGNGY-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1)C(F)(F)F ZINC000649253128 393387100 /nfs/dbraw/zinc/38/71/00/393387100.db2.gz PHGYOAZHSVVWIH-TUKIKUTGSA-N 2 1 298.352 3.004 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@H+](C)C(C)C ZINC000479527479 393433327 /nfs/dbraw/zinc/43/33/27/393433327.db2.gz MRJINYVPPJGYRQ-HOTGVXAUSA-N 2 1 252.446 3.299 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C ZINC000481990451 393438343 /nfs/dbraw/zinc/43/83/43/393438343.db2.gz JJQMANPVCJVWDY-OXGONZEZSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420390965 393481626 /nfs/dbraw/zinc/48/16/26/393481626.db2.gz ICKBUYUMSAMDGD-WMZOPIPTSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000420395179 393481965 /nfs/dbraw/zinc/48/19/65/393481965.db2.gz CYNOTRLKHQGETB-NXEZZACHSA-N 2 1 273.207 3.254 20 0 CGADMP COc1cccc2c(NC[C@@H]3CCC[C@@H]([NH3+])C3)cc(C)[nH+]c12 ZINC000420292574 393451643 /nfs/dbraw/zinc/45/16/43/393451643.db2.gz WWHZIWQRPNWQGS-ZIAGYGMSSA-N 2 1 299.418 3.481 20 0 CGADMP CCc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000420290073 393451809 /nfs/dbraw/zinc/45/18/09/393451809.db2.gz LFWVPULKNIFGMO-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000420297390 393452853 /nfs/dbraw/zinc/45/28/53/393452853.db2.gz DCBKRVZFPHWYSL-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420297524 393453474 /nfs/dbraw/zinc/45/34/74/393453474.db2.gz GBXXYQFLJNQDLL-ZWKOTPCHSA-N 2 1 272.436 3.002 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301638 393455172 /nfs/dbraw/zinc/45/51/72/393455172.db2.gz IQZHSQMJOYKWMB-JKSUJKDBSA-N 2 1 276.424 3.002 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420300695 393455234 /nfs/dbraw/zinc/45/52/34/393455234.db2.gz KJEYFKXWSXIRTD-FUHWJXTLSA-N 2 1 292.442 3.324 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(C(F)F)c1 ZINC000420301017 393455885 /nfs/dbraw/zinc/45/58/85/393455885.db2.gz IHQMUVDULSACCM-CQSZACIVSA-N 2 1 256.340 3.087 20 0 CGADMP Cc1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)cc1C ZINC000420300819 393456067 /nfs/dbraw/zinc/45/60/67/393456067.db2.gz KRKKERQRSOLMJJ-INIZCTEOSA-N 2 1 272.436 3.267 20 0 CGADMP C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000420393554 393482786 /nfs/dbraw/zinc/48/27/86/393482786.db2.gz JXDGIOGPQNOIBJ-QZTJIDSGSA-N 2 1 294.483 3.047 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420311407 393459681 /nfs/dbraw/zinc/45/96/81/393459681.db2.gz VUSGYPFVHKXZCB-IEBWSBKVSA-N 2 1 286.463 3.392 20 0 CGADMP CC[C@@]1(C)CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311839 393461468 /nfs/dbraw/zinc/46/14/68/393461468.db2.gz WDFXWJDZPGVJDK-WMZOPIPTSA-N 2 1 290.451 3.250 20 0 CGADMP C(C[N@@H+](CC1CC1)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000420313636 393461778 /nfs/dbraw/zinc/46/17/78/393461778.db2.gz YHCODADPPGSDJZ-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420316100 393463559 /nfs/dbraw/zinc/46/35/59/393463559.db2.gz MLHDQWBTJTWGKS-MAUKXSAKSA-N 2 1 288.435 3.222 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000420317575 393463834 /nfs/dbraw/zinc/46/38/34/393463834.db2.gz VEPOGPKMCBJQJR-LRDDRELGSA-N 2 1 278.827 3.388 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420321262 393465078 /nfs/dbraw/zinc/46/50/78/393465078.db2.gz RBIVYNLXXIMEFD-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCC1 ZINC000429515086 393471977 /nfs/dbraw/zinc/47/19/77/393471977.db2.gz ARGIZJGZCBXCPQ-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCOc1ccccc1Cl)C1CCCCC1 ZINC000420359748 393472086 /nfs/dbraw/zinc/47/20/86/393472086.db2.gz KTEFBQANGMUKQH-HNNXBMFYSA-N 2 1 296.842 3.216 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccc2ccccc2c1 ZINC000420369189 393476395 /nfs/dbraw/zinc/47/63/95/393476395.db2.gz URYRDZYDZGIHSD-KRWDZBQOSA-N 2 1 286.419 3.182 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000420366881 393477163 /nfs/dbraw/zinc/47/71/63/393477163.db2.gz UZCPPXZHOBFQPU-JSGCOSHPSA-N 2 1 293.480 3.014 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000488336133 393491178 /nfs/dbraw/zinc/49/11/78/393491178.db2.gz ZGFROTFDDVDVQZ-HOCLYGCPSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC000430120648 393526643 /nfs/dbraw/zinc/52/66/43/393526643.db2.gz BPNPPBBHIHMNPJ-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC000430120648 393526645 /nfs/dbraw/zinc/52/66/45/393526645.db2.gz BPNPPBBHIHMNPJ-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCCC4)C2)C1 ZINC000430120648 393526649 /nfs/dbraw/zinc/52/66/49/393526649.db2.gz BPNPPBBHIHMNPJ-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000275603134 285537779 /nfs/dbraw/zinc/53/77/79/285537779.db2.gz QGNZTLIZJJPREJ-JQHSSLGASA-N 2 1 295.430 3.371 20 0 CGADMP CC1=C[C@@H](C)C[N@@H+](C/C=C\C[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263368 393552101 /nfs/dbraw/zinc/55/21/01/393552101.db2.gz NSTQAQQZOLJZJF-QSAANWBWSA-N 2 1 274.452 3.339 20 0 CGADMP CC1=C[C@@H](C)C[NH+](C/C=C\C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263368 393552105 /nfs/dbraw/zinc/55/21/05/393552105.db2.gz NSTQAQQZOLJZJF-QSAANWBWSA-N 2 1 274.452 3.339 20 0 CGADMP CC1=C[C@@H](C)C[NH+](C/C=C\C[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263368 393552110 /nfs/dbraw/zinc/55/21/10/393552110.db2.gz NSTQAQQZOLJZJF-QSAANWBWSA-N 2 1 274.452 3.339 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420957446 393558641 /nfs/dbraw/zinc/55/86/41/393558641.db2.gz ALLXXQHYMIBQIN-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420957446 393558648 /nfs/dbraw/zinc/55/86/48/393558648.db2.gz ALLXXQHYMIBQIN-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000360037786 393560426 /nfs/dbraw/zinc/56/04/26/393560426.db2.gz LHCWQPKWCVOEIQ-SFHVURJKSA-N 2 1 290.451 3.012 20 0 CGADMP C[C@H](C[NH3+])C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000666825436 542818379 /nfs/dbraw/zinc/81/83/79/542818379.db2.gz DGOUWAJAOSKADZ-SSDOTTSWSA-N 2 1 281.614 3.331 20 0 CGADMP Clc1ccc(Cl)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666856522 542820661 /nfs/dbraw/zinc/82/06/61/542820661.db2.gz NHQFYXGBPIPWGX-LBPRGKRZSA-N 2 1 273.207 3.225 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000432367832 393606789 /nfs/dbraw/zinc/60/67/89/393606789.db2.gz MQFFEMJNYJGZBX-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000432367832 393606792 /nfs/dbraw/zinc/60/67/92/393606792.db2.gz MQFFEMJNYJGZBX-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[NH2+][C@](C)(C[NH3+])C(C)C)c1C ZINC000430581556 393578837 /nfs/dbraw/zinc/57/88/37/393578837.db2.gz JLUIOTMLKVJAAG-GOSISDBHSA-N 2 1 290.451 3.277 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430661586 393584265 /nfs/dbraw/zinc/58/42/65/393584265.db2.gz GHRQCWPWSLYQBS-GFCCVEGCSA-N 2 1 284.856 3.103 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000360771713 393585969 /nfs/dbraw/zinc/58/59/69/393585969.db2.gz JIBPJVNLASFUGS-RBSFLKMASA-N 2 1 275.440 3.310 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430705392 393588114 /nfs/dbraw/zinc/58/81/14/393588114.db2.gz LFMJUMHOVNTTPQ-MPTYRVRUSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000433058425 393679324 /nfs/dbraw/zinc/67/93/24/393679324.db2.gz AYNVCIZYFNUYIQ-UYSNPLJNSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432418151 393611737 /nfs/dbraw/zinc/61/17/37/393611737.db2.gz QJSNUDAJJZCFLH-CWHQUEMWSA-N 2 1 296.499 3.289 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC[C@@H]2C2CC2)CCCO1 ZINC000432420914 393613023 /nfs/dbraw/zinc/61/30/23/393613023.db2.gz MUYUUYXNCOBKRX-NXHRZFHOSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000360944786 393620259 /nfs/dbraw/zinc/62/02/59/393620259.db2.gz BGQQYFZVUNQKCH-SFHVURJKSA-N 2 1 285.435 3.357 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000489976478 393623550 /nfs/dbraw/zinc/62/35/50/393623550.db2.gz GOSMDRSMXUYRES-SJLPKXTDSA-N 2 1 272.436 3.256 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489987518 393624555 /nfs/dbraw/zinc/62/45/55/393624555.db2.gz INGXWFLEISIBEK-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000432800809 393640987 /nfs/dbraw/zinc/64/09/87/393640987.db2.gz QTWGIQQPIJTNSS-HNNXBMFYSA-N 2 1 290.382 3.488 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000432800809 393640991 /nfs/dbraw/zinc/64/09/91/393640991.db2.gz QTWGIQQPIJTNSS-HNNXBMFYSA-N 2 1 290.382 3.488 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000490377287 393641165 /nfs/dbraw/zinc/64/11/65/393641165.db2.gz WRSGTWPRTXGCPT-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000490377287 393641173 /nfs/dbraw/zinc/64/11/73/393641173.db2.gz WRSGTWPRTXGCPT-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000490377287 393641178 /nfs/dbraw/zinc/64/11/78/393641178.db2.gz WRSGTWPRTXGCPT-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000490377287 393641184 /nfs/dbraw/zinc/64/11/84/393641184.db2.gz WRSGTWPRTXGCPT-MRXNPFEDSA-N 2 1 290.426 3.298 20 0 CGADMP c1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000490577588 393646354 /nfs/dbraw/zinc/64/63/54/393646354.db2.gz GTLOULSKHUBIKX-INIZCTEOSA-N 2 1 284.447 3.139 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000423023228 393649139 /nfs/dbraw/zinc/64/91/39/393649139.db2.gz HAXRJWOCOGKHGB-GHMZBOCLSA-N 2 1 268.351 3.059 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C/C=C\c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424386467 393683410 /nfs/dbraw/zinc/68/34/10/393683410.db2.gz XCWYMKFAWKVFDG-GWQWAINWSA-N 2 1 288.410 3.303 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2ccccc2n1 ZINC000423360319 393663954 /nfs/dbraw/zinc/66/39/54/393663954.db2.gz LGGKDBZQHWKSQR-DZGCQCFKSA-N 2 1 269.392 3.028 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423479445 393669998 /nfs/dbraw/zinc/66/99/98/393669998.db2.gz VGQZQESDEXBHCZ-PRHODGIISA-N 2 1 273.207 3.308 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423474588 393670116 /nfs/dbraw/zinc/67/01/16/393670116.db2.gz RKWFJSVBUFDIPR-YGRLFVJLSA-N 2 1 297.240 3.153 20 0 CGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000361110869 393674522 /nfs/dbraw/zinc/67/45/22/393674522.db2.gz ICNSTWVLDCKWIA-FUHWJXTLSA-N 2 1 292.467 3.330 20 0 CGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000361110869 393674524 /nfs/dbraw/zinc/67/45/24/393674524.db2.gz ICNSTWVLDCKWIA-FUHWJXTLSA-N 2 1 292.467 3.330 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425332468 393692597 /nfs/dbraw/zinc/69/25/97/393692597.db2.gz BHVQXYJUPRJLPG-XUWVNRHRSA-N 2 1 284.513 3.228 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000502299617 393872761 /nfs/dbraw/zinc/87/27/61/393872761.db2.gz IVJKKIHQQGOBIW-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449433755 393880839 /nfs/dbraw/zinc/88/08/39/393880839.db2.gz NRUSUZSMFHCKFF-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000502709853 393882798 /nfs/dbraw/zinc/88/27/98/393882798.db2.gz SVZBOSOJHDFKSF-RCCFBDPRSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000502709853 393882800 /nfs/dbraw/zinc/88/28/00/393882800.db2.gz SVZBOSOJHDFKSF-RCCFBDPRSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccncc1 ZINC000453220802 394210049 /nfs/dbraw/zinc/21/00/49/394210049.db2.gz PEDBBMJUGJZOPP-OFLPRAFFSA-N 2 1 273.424 3.139 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1C1CC1)C1CC1 ZINC000453400366 394233724 /nfs/dbraw/zinc/23/37/24/394233724.db2.gz LUTGFILFNIXAKI-JKSUJKDBSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453411655 394238118 /nfs/dbraw/zinc/23/81/18/394238118.db2.gz VVZUJGAWJAWQPM-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453428061 394243640 /nfs/dbraw/zinc/24/36/40/394243640.db2.gz OZNLREDHVOHUGF-CYBMUJFWSA-N 2 1 250.386 3.113 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(F)c1 ZINC000453427143 394243755 /nfs/dbraw/zinc/24/37/55/394243755.db2.gz ONEZAOARNJELBA-CYBMUJFWSA-N 2 1 294.414 3.359 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccccc1Cl)C1CC1 ZINC000453592448 394252548 /nfs/dbraw/zinc/25/25/48/394252548.db2.gz FFCPMFMDIRCYPE-UHFFFAOYSA-N 2 1 266.816 3.304 20 0 CGADMP C[C@@H]([N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C(C)(C)C ZINC000667518277 542883266 /nfs/dbraw/zinc/88/32/66/542883266.db2.gz VSINXWVFLSUOMQ-CYBMUJFWSA-N 2 1 272.396 3.134 20 0 CGADMP CCCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667500547 542880583 /nfs/dbraw/zinc/88/05/83/542880583.db2.gz SRFWZOBKPQQCJX-UHFFFAOYSA-N 2 1 270.380 3.032 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)[nH]c2c1 ZINC000667667641 542912355 /nfs/dbraw/zinc/91/23/55/542912355.db2.gz SCZJGQLSYSVXSJ-WMLDXEAASA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)[nH]c2c1 ZINC000667667641 542912359 /nfs/dbraw/zinc/91/23/59/542912359.db2.gz SCZJGQLSYSVXSJ-WMLDXEAASA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)[nH]c2c1 ZINC000667667641 542912362 /nfs/dbraw/zinc/91/23/62/542912362.db2.gz SCZJGQLSYSVXSJ-WMLDXEAASA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)[nH]c2c1 ZINC000667667641 542912364 /nfs/dbraw/zinc/91/23/64/542912364.db2.gz SCZJGQLSYSVXSJ-WMLDXEAASA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)[nH]c2c1 ZINC000668194222 542986118 /nfs/dbraw/zinc/98/61/18/542986118.db2.gz BDBMOYPDQCKQOM-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)[nH]c2c1 ZINC000668194222 542986121 /nfs/dbraw/zinc/98/61/21/542986121.db2.gz BDBMOYPDQCKQOM-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)[nH]c2c1 ZINC000668194222 542986123 /nfs/dbraw/zinc/98/61/23/542986123.db2.gz BDBMOYPDQCKQOM-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)[nH]c2c1 ZINC000668194222 542986127 /nfs/dbraw/zinc/98/61/27/542986127.db2.gz BDBMOYPDQCKQOM-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP c1nc2n(c1C[N@@H+]1CCC[C@@H]1CC1CCCC1)CCC2 ZINC000668298590 543003550 /nfs/dbraw/zinc/00/35/50/543003550.db2.gz DLZYTPPKJIWJOR-OAHLLOKOSA-N 2 1 273.424 3.374 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668719577 543050305 /nfs/dbraw/zinc/05/03/05/543050305.db2.gz YRJWYHVPWJVCHG-MRXNPFEDSA-N 2 1 296.418 3.279 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H](C3CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668719577 543050310 /nfs/dbraw/zinc/05/03/10/543050310.db2.gz YRJWYHVPWJVCHG-MRXNPFEDSA-N 2 1 296.418 3.279 20 0 CGADMP C[N@H+](Cc1cc(-n2ccnc2)cs1)CC1=CCSC1 ZINC000668774994 543059387 /nfs/dbraw/zinc/05/93/87/543059387.db2.gz NXESRXMFPKHIMT-UHFFFAOYSA-N 2 1 291.445 3.039 20 0 CGADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819925 543066214 /nfs/dbraw/zinc/06/62/14/543066214.db2.gz QQQDBOUXOKSZHI-DOTOQJQBSA-N 2 1 266.473 3.380 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000671730459 543182400 /nfs/dbraw/zinc/18/24/00/543182400.db2.gz RJGZQKKQOKYNBM-CVEARBPZSA-N 2 1 288.435 3.017 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000671730459 543182402 /nfs/dbraw/zinc/18/24/02/543182402.db2.gz RJGZQKKQOKYNBM-CVEARBPZSA-N 2 1 288.435 3.017 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000671770671 543188652 /nfs/dbraw/zinc/18/86/52/543188652.db2.gz WOTVKBAVMOSDSL-SJORKVTESA-N 2 1 292.854 3.271 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000671770671 543188654 /nfs/dbraw/zinc/18/86/54/543188654.db2.gz WOTVKBAVMOSDSL-SJORKVTESA-N 2 1 292.854 3.271 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000106868497 397651988 /nfs/dbraw/zinc/65/19/88/397651988.db2.gz RUOIUHCAOYUBMG-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916020 397609925 /nfs/dbraw/zinc/60/99/25/397609925.db2.gz URQIABYXTKLWAP-ZVZYQTTQSA-N 2 1 288.435 3.220 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394842808 397696317 /nfs/dbraw/zinc/69/63/17/397696317.db2.gz ZZGVHLPXXXPTEA-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC000650705998 397898042 /nfs/dbraw/zinc/89/80/42/397898042.db2.gz BOLFKHNNORJRBL-RCCFBDPRSA-N 2 1 294.483 3.175 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc3cc(F)ccc3o1)C2 ZINC000650709279 397898132 /nfs/dbraw/zinc/89/81/32/397898132.db2.gz OPQGXFLFEGAUHZ-GUYCJALGSA-N 2 1 288.366 3.133 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1F ZINC000650712197 397899772 /nfs/dbraw/zinc/89/97/72/397899772.db2.gz WAIFVMOKOARTRA-CJNGLKHVSA-N 2 1 294.414 3.174 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1F ZINC000650752691 397908386 /nfs/dbraw/zinc/90/83/86/397908386.db2.gz XKZARLGZSKVFFC-NSHDSACASA-N 2 1 276.330 3.274 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(F)c1F ZINC000650755120 397909393 /nfs/dbraw/zinc/90/93/93/397909393.db2.gz ZNFDWABBXVQXJK-SNVBAGLBSA-N 2 1 294.320 3.413 20 0 CGADMP c1ccc2c(c1)CC[C@H](CC[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)N2 ZINC000650761395 397911783 /nfs/dbraw/zinc/91/17/83/397911783.db2.gz ZBLPMCQKNXOPKT-FGTMMUONSA-N 2 1 299.462 3.020 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(CC)CC)[C@H](C)C1 ZINC000675829423 543367770 /nfs/dbraw/zinc/36/77/70/543367770.db2.gz SIDMTMCEJKKGLS-WBVHZDCISA-N 2 1 284.488 3.149 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881764 543369237 /nfs/dbraw/zinc/36/92/37/543369237.db2.gz MZVHHERBDXTLHY-BFYDXBDKSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239976 543441431 /nfs/dbraw/zinc/44/14/31/543441431.db2.gz BUBZXCNRURAKLR-SJORKVTESA-N 2 1 290.426 3.320 20 0 CGADMP Cc1cnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000552812850 289199315 /nfs/dbraw/zinc/19/93/15/289199315.db2.gz ANDORDXDIIKRDO-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1cnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000552812850 289199317 /nfs/dbraw/zinc/19/93/17/289199317.db2.gz ANDORDXDIIKRDO-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000677820481 543468151 /nfs/dbraw/zinc/46/81/51/543468151.db2.gz OVWAKHJBMSXLJC-MRXNPFEDSA-N 2 1 273.355 3.168 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000677820481 543468152 /nfs/dbraw/zinc/46/81/52/543468152.db2.gz OVWAKHJBMSXLJC-MRXNPFEDSA-N 2 1 273.355 3.168 20 0 CGADMP CC[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678119862 543484986 /nfs/dbraw/zinc/48/49/86/543484986.db2.gz BAKOBSMUHHHCNB-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678137714 543486603 /nfs/dbraw/zinc/48/66/03/543486603.db2.gz SVVNBKSKDAMJSM-OAHLLOKOSA-N 2 1 278.440 3.103 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000122519197 286049294 /nfs/dbraw/zinc/04/92/94/286049294.db2.gz MJIOXZXGAVWEAO-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000678605553 543543629 /nfs/dbraw/zinc/54/36/29/543543629.db2.gz QGQNSTOHVZFKJU-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000678590829 543539495 /nfs/dbraw/zinc/53/94/95/543539495.db2.gz KMXWTYZGJTVTPP-SNRMKQJTSA-N 2 1 284.447 3.008 20 0 CGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCCCC1 ZINC000353555739 292247589 /nfs/dbraw/zinc/24/75/89/292247589.db2.gz DIDRWVNXPGEIMT-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](CC)C(C)C)C12CCCC2 ZINC000344089745 286281322 /nfs/dbraw/zinc/28/13/22/286281322.db2.gz BIUQBNNGUVGCBA-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](CC)C(C)C)C12CCCC2 ZINC000344089745 286281324 /nfs/dbraw/zinc/28/13/24/286281324.db2.gz BIUQBNNGUVGCBA-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414666320 286362219 /nfs/dbraw/zinc/36/22/19/286362219.db2.gz GCOZWJHYNQGFAB-VKJFTORMSA-N 2 1 288.435 3.220 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC(C)C)cc2)CC1 ZINC000077248831 287038382 /nfs/dbraw/zinc/03/83/82/287038382.db2.gz PSMOSLPQJRGJJG-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(C)C)cc2)CC1 ZINC000077248831 287038386 /nfs/dbraw/zinc/03/83/86/287038386.db2.gz PSMOSLPQJRGJJG-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000066152394 165032769 /nfs/dbraw/zinc/03/27/69/165032769.db2.gz XOZNRRVBQDTYJT-OAHLLOKOSA-N 2 1 276.424 3.036 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000070344086 165057614 /nfs/dbraw/zinc/05/76/14/165057614.db2.gz LAEJBKBIACCVOW-ZACQAIPSSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000086256627 165183402 /nfs/dbraw/zinc/18/34/02/165183402.db2.gz RHGHJDFJOXNQNZ-CRAIPNDOSA-N 2 1 283.419 3.157 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000086256627 165183404 /nfs/dbraw/zinc/18/34/04/165183404.db2.gz RHGHJDFJOXNQNZ-CRAIPNDOSA-N 2 1 283.419 3.157 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000090076656 165224384 /nfs/dbraw/zinc/22/43/84/165224384.db2.gz RBLCVDIAQPJGGF-JKIFEVAISA-N 2 1 286.419 3.294 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000090585831 165240508 /nfs/dbraw/zinc/24/05/08/165240508.db2.gz WILRGHAHZUSUHS-HOTGVXAUSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c2ccccc2n1 ZINC000092346006 165290594 /nfs/dbraw/zinc/29/05/94/165290594.db2.gz ZPLOKPQUDRJJLS-HNNXBMFYSA-N 2 1 283.419 3.104 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1cccnc1 ZINC000092739427 165310384 /nfs/dbraw/zinc/31/03/84/165310384.db2.gz DHIBTMARUHOWLD-JYJNAYRXSA-N 2 1 275.440 3.100 20 0 CGADMP CC[C@H](C)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000093054659 165319230 /nfs/dbraw/zinc/31/92/30/165319230.db2.gz PICJIAFPGRAPMH-HNNXBMFYSA-N 2 1 260.425 3.071 20 0 CGADMP CC[C@H](C)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000093054659 165319233 /nfs/dbraw/zinc/31/92/33/165319233.db2.gz PICJIAFPGRAPMH-HNNXBMFYSA-N 2 1 260.425 3.071 20 0 CGADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000093464315 165330032 /nfs/dbraw/zinc/33/00/32/165330032.db2.gz AZYGUUMKIYQXKT-SGMGOOAPSA-N 2 1 280.387 3.016 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)CC(C)(C)C[NH3+] ZINC000093861171 165341263 /nfs/dbraw/zinc/34/12/63/165341263.db2.gz FTZJZMCBLNWYLF-UHFFFAOYSA-N 2 1 256.393 3.257 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010615 165342862 /nfs/dbraw/zinc/34/28/62/165342862.db2.gz BSABTGFNGCBINM-CYBMUJFWSA-N 2 1 272.392 3.425 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339017 165351053 /nfs/dbraw/zinc/35/10/53/165351053.db2.gz GUFSNFWLXDFJEL-DYVFJYSZSA-N 2 1 284.403 3.018 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000094518623 165353900 /nfs/dbraw/zinc/35/39/00/165353900.db2.gz DYBMAJSVAZGVOC-QZTJIDSGSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000094518623 165353904 /nfs/dbraw/zinc/35/39/04/165353904.db2.gz DYBMAJSVAZGVOC-QZTJIDSGSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000094827498 165392016 /nfs/dbraw/zinc/39/20/16/165392016.db2.gz XFMYPJRKLLXIBI-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000094901157 165394469 /nfs/dbraw/zinc/39/44/69/165394469.db2.gz MKDNPXAXFREUKS-GOSISDBHSA-N 2 1 274.452 3.317 20 0 CGADMP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563822 287117440 /nfs/dbraw/zinc/11/74/40/287117440.db2.gz WJSUTZCOOYCKSW-QGZVFWFLSA-N 2 1 298.434 3.013 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000121099220 287192852 /nfs/dbraw/zinc/19/28/52/287192852.db2.gz AVBROUKKGYHIIV-KDOFPFPSSA-N 2 1 268.404 3.270 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)C)[C@H](C)C1 ZINC000122270232 287208134 /nfs/dbraw/zinc/20/81/34/287208134.db2.gz HLJHXNREKCEVOK-IKGGRYGDSA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123139613 287216130 /nfs/dbraw/zinc/21/61/30/287216130.db2.gz JDCRQMFBIBBQSF-PNESKVBLSA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123139613 287216132 /nfs/dbraw/zinc/21/61/32/287216132.db2.gz JDCRQMFBIBBQSF-PNESKVBLSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000123261893 287217660 /nfs/dbraw/zinc/21/76/60/287217660.db2.gz XAYXNDLWNASXHH-DZGCQCFKSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCc2ccccc2Cl)CC[N@H+]1C ZINC000123261893 287217661 /nfs/dbraw/zinc/21/76/61/287217661.db2.gz XAYXNDLWNASXHH-DZGCQCFKSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCc2ccccc2Cl)CC[NH+]1C ZINC000123261893 287217663 /nfs/dbraw/zinc/21/76/63/287217663.db2.gz XAYXNDLWNASXHH-DZGCQCFKSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccccc2Cl)CC[NH+]1C ZINC000123261893 287217665 /nfs/dbraw/zinc/21/76/65/287217665.db2.gz XAYXNDLWNASXHH-DZGCQCFKSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000020121874 171001528 /nfs/dbraw/zinc/00/15/28/171001528.db2.gz GCYXHLZQNOZYNM-NSHDSACASA-N 2 1 252.789 3.085 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000020129102 171017030 /nfs/dbraw/zinc/01/70/30/171017030.db2.gz DTGWVBRCASWTEI-HNNXBMFYSA-N 2 1 276.424 3.140 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000020138267 171025913 /nfs/dbraw/zinc/02/59/13/171025913.db2.gz RVSKLEISMARMGU-HNNXBMFYSA-N 2 1 260.425 3.082 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(O)c1 ZINC000020143358 171028763 /nfs/dbraw/zinc/02/87/63/171028763.db2.gz HHQRCFVRLFKJJN-LBPRGKRZSA-N 2 1 276.424 3.352 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000020143297 171029071 /nfs/dbraw/zinc/02/90/71/171029071.db2.gz IDNTVBDKGCVUPC-LLVKDONJSA-N 2 1 250.386 3.239 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000125737377 287249656 /nfs/dbraw/zinc/24/96/56/287249656.db2.gz MDAZHVTVIDIKDW-UHFFFAOYSA-N 2 1 295.496 3.395 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000020189166 171054968 /nfs/dbraw/zinc/05/49/68/171054968.db2.gz VMPUOMLFKKNMST-AWEZNQCLSA-N 2 1 276.424 3.219 20 0 CGADMP [NH3+]C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000020521656 171234842 /nfs/dbraw/zinc/23/48/42/171234842.db2.gz BIYOBFDONIOZGP-UHFFFAOYSA-N 2 1 282.387 3.402 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285513328 196310767 /nfs/dbraw/zinc/31/07/67/196310767.db2.gz NSFDMHIROIWJRM-XYPWUTKMSA-N 2 1 278.827 3.397 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285513328 196310770 /nfs/dbraw/zinc/31/07/70/196310770.db2.gz NSFDMHIROIWJRM-XYPWUTKMSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285513328 196310771 /nfs/dbraw/zinc/31/07/71/196310771.db2.gz NSFDMHIROIWJRM-XYPWUTKMSA-N 2 1 278.827 3.397 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285513328 196310773 /nfs/dbraw/zinc/31/07/73/196310773.db2.gz NSFDMHIROIWJRM-XYPWUTKMSA-N 2 1 278.827 3.397 20 0 CGADMP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000285568275 196329469 /nfs/dbraw/zinc/32/94/69/196329469.db2.gz VZNUZAUKFCCOQR-YUKKFKLSSA-N 2 1 292.373 3.052 20 0 CGADMP CCCCCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248689 173060953 /nfs/dbraw/zinc/06/09/53/173060953.db2.gz HKSIYUNIZZKULG-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000037329299 173130405 /nfs/dbraw/zinc/13/04/05/173130405.db2.gz GNVXKLWIGVJFQS-CQSZACIVSA-N 2 1 294.414 3.188 20 0 CGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1F ZINC000037329299 173130407 /nfs/dbraw/zinc/13/04/07/173130407.db2.gz GNVXKLWIGVJFQS-CQSZACIVSA-N 2 1 294.414 3.188 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000040640100 174364029 /nfs/dbraw/zinc/36/40/29/174364029.db2.gz OPOWPASLWCCVMM-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1cc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000040669916 174368376 /nfs/dbraw/zinc/36/83/76/174368376.db2.gz VNMWAOWJWVHMIK-LRDDRELGSA-N 2 1 276.428 3.016 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527631 175192938 /nfs/dbraw/zinc/19/29/38/175192938.db2.gz WVHZALPODIJLLG-NWDGAFQWSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527631 175192940 /nfs/dbraw/zinc/19/29/40/175192940.db2.gz WVHZALPODIJLLG-NWDGAFQWSA-N 2 1 297.240 3.181 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)CC[C@@H]1[NH3+] ZINC000317263211 416539665 /nfs/dbraw/zinc/53/96/65/416539665.db2.gz QQCXQIHNKDDHPA-PBHICJAKSA-N 2 1 299.418 3.209 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)CC[C@@H]1[NH3+] ZINC000317263211 416539671 /nfs/dbraw/zinc/53/96/71/416539671.db2.gz QQCXQIHNKDDHPA-PBHICJAKSA-N 2 1 299.418 3.209 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC2CCC1CC2 ZINC000400174456 416545184 /nfs/dbraw/zinc/54/51/84/416545184.db2.gz OYRWNITZXFXWHD-IRKLFDGPSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)[C@@H]1CC[NH3+] ZINC000404283313 416551784 /nfs/dbraw/zinc/55/17/84/416551784.db2.gz QVBBOVJWWXKUNR-XJKSGUPXSA-N 2 1 272.392 3.382 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404900717 416558523 /nfs/dbraw/zinc/55/85/23/416558523.db2.gz PYDIDXLZWUQYPP-HZPDHXFCSA-N 2 1 272.436 3.038 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2ccc(C)c(C)c2)CC[C@@H]1[NH3+] ZINC000122907833 416505709 /nfs/dbraw/zinc/50/57/09/416505709.db2.gz VZGGZQGDTDQBRT-AEFFLSMTSA-N 2 1 290.451 3.132 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(C)nc3ccccc23)CC[C@@H]1[NH3+] ZINC000134105710 416517387 /nfs/dbraw/zinc/51/73/87/416517387.db2.gz UWDBASZRZHDSRS-YOEHRIQHSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCc3ccccc32)CC[N@@H+]1C ZINC000679043779 543586283 /nfs/dbraw/zinc/58/62/83/543586283.db2.gz KHSUCFPKCLVLOM-UWWQBHOKSA-N 2 1 272.436 3.310 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCc3ccccc32)CC[N@H+]1C ZINC000679043779 543586284 /nfs/dbraw/zinc/58/62/84/543586284.db2.gz KHSUCFPKCLVLOM-UWWQBHOKSA-N 2 1 272.436 3.310 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CCCCO)C1 ZINC000679340718 543622620 /nfs/dbraw/zinc/62/26/20/543622620.db2.gz PUWUXAOQUGFMNT-CVEARBPZSA-N 2 1 284.488 3.028 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CCCCO)C1 ZINC000679340718 543622621 /nfs/dbraw/zinc/62/26/21/543622621.db2.gz PUWUXAOQUGFMNT-CVEARBPZSA-N 2 1 284.488 3.028 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000130231528 287347973 /nfs/dbraw/zinc/34/79/73/287347973.db2.gz KHXYCHDRPJHGRW-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000130565223 287358378 /nfs/dbraw/zinc/35/83/78/287358378.db2.gz MYZMTCYFGJCUMC-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP c1cncc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000682029719 543817425 /nfs/dbraw/zinc/81/74/25/543817425.db2.gz SHKUFDXDYIGWLE-UHFFFAOYSA-N 2 1 287.451 3.137 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000682074600 543821977 /nfs/dbraw/zinc/82/19/77/543821977.db2.gz QELBEPRLCHVQHT-LPHOPBHVSA-N 2 1 284.447 3.482 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000682075806 543822193 /nfs/dbraw/zinc/82/21/93/543822193.db2.gz ZQEQSROKMXYEQH-CRAIPNDOSA-N 2 1 270.420 3.092 20 0 CGADMP CCn1ccnc1CNc1cccc2cc[nH+]cc21 ZINC000131110579 287370935 /nfs/dbraw/zinc/37/09/35/287370935.db2.gz RSFNOAHNMXHVLQ-UHFFFAOYSA-N 2 1 252.321 3.063 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOC2CCCCCC2)[C@H](C)C1 ZINC000131563086 287383616 /nfs/dbraw/zinc/38/36/16/287383616.db2.gz UQEHNINKMWOMLW-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000429534117 287394870 /nfs/dbraw/zinc/39/48/70/287394870.db2.gz COZAXWGKFPFMLT-BZUAXINKSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683767120 543939803 /nfs/dbraw/zinc/93/98/03/543939803.db2.gz BOOLTZJEVQPWLV-MRXNPFEDSA-N 2 1 283.419 3.056 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3cnccc3c2)C1 ZINC000683833109 543947161 /nfs/dbraw/zinc/94/71/61/543947161.db2.gz SWWFPUPQYQXKBO-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683833109 543947163 /nfs/dbraw/zinc/94/71/63/543947163.db2.gz SWWFPUPQYQXKBO-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000683833109 543947166 /nfs/dbraw/zinc/94/71/66/543947166.db2.gz SWWFPUPQYQXKBO-MRXNPFEDSA-N 2 1 283.419 3.008 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021303 543960873 /nfs/dbraw/zinc/96/08/73/543960873.db2.gz NIRBXQSJCTWWSJ-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021303 543960875 /nfs/dbraw/zinc/96/08/75/543960875.db2.gz NIRBXQSJCTWWSJ-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021303 543960877 /nfs/dbraw/zinc/96/08/77/543960877.db2.gz NIRBXQSJCTWWSJ-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021303 543960880 /nfs/dbraw/zinc/96/08/80/543960880.db2.gz NIRBXQSJCTWWSJ-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000684373108 543987804 /nfs/dbraw/zinc/98/78/04/543987804.db2.gz RUVXJOPRAIJHOW-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000684373108 543987808 /nfs/dbraw/zinc/98/78/08/543987808.db2.gz RUVXJOPRAIJHOW-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2cnccc2c1 ZINC000685462573 544074941 /nfs/dbraw/zinc/07/49/41/544074941.db2.gz VMPAAYZNHPVGEX-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1ccc(F)cc1 ZINC000685470305 544077348 /nfs/dbraw/zinc/07/73/48/544077348.db2.gz FENYCGOTPVOWGC-DSLFPGPSSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1ccc(F)cc1 ZINC000685470305 544077350 /nfs/dbraw/zinc/07/73/50/544077350.db2.gz FENYCGOTPVOWGC-DSLFPGPSSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000685470305 544077356 /nfs/dbraw/zinc/07/73/56/544077356.db2.gz FENYCGOTPVOWGC-DSLFPGPSSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000685470305 544077357 /nfs/dbraw/zinc/07/73/57/544077357.db2.gz FENYCGOTPVOWGC-DSLFPGPSSA-N 2 1 276.399 3.111 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685471203 544079117 /nfs/dbraw/zinc/07/91/17/544079117.db2.gz XAXRCKSJVZUJDD-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCCc3cccnc32)CCCC1 ZINC000684962236 544047152 /nfs/dbraw/zinc/04/71/52/544047152.db2.gz PUSKBMFVRJWUND-MRXNPFEDSA-N 2 1 287.451 3.171 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000685633045 544090819 /nfs/dbraw/zinc/09/08/19/544090819.db2.gz MQVBFMVGPVLBHZ-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000685633045 544090821 /nfs/dbraw/zinc/09/08/21/544090821.db2.gz MQVBFMVGPVLBHZ-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000685633046 544090909 /nfs/dbraw/zinc/09/09/09/544090909.db2.gz MQVBFMVGPVLBHZ-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000685633046 544090910 /nfs/dbraw/zinc/09/09/10/544090910.db2.gz MQVBFMVGPVLBHZ-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000367185534 227188961 /nfs/dbraw/zinc/18/89/61/227188961.db2.gz JEWZDAGKCFOVFK-HQQPKKBNSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000367185534 227188966 /nfs/dbraw/zinc/18/89/66/227188966.db2.gz JEWZDAGKCFOVFK-HQQPKKBNSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192934575 227395400 /nfs/dbraw/zinc/39/54/00/227395400.db2.gz QYKAGKKTNCOWIA-BPQIPLTHSA-N 2 1 272.436 3.287 20 0 CGADMP CC[C@H](OCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000652236373 418940468 /nfs/dbraw/zinc/94/04/68/418940468.db2.gz KOAOGHKQHLJWOB-NJAFHUGGSA-N 2 1 290.451 3.227 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000652338336 418955788 /nfs/dbraw/zinc/95/57/88/418955788.db2.gz VOLJXDLVGHTVSC-LJQANCHMSA-N 2 1 296.389 3.418 20 0 CGADMP Fc1cccc([C@H]2CC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000652338336 418955793 /nfs/dbraw/zinc/95/57/93/418955793.db2.gz VOLJXDLVGHTVSC-LJQANCHMSA-N 2 1 296.389 3.418 20 0 CGADMP c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000652343657 418956231 /nfs/dbraw/zinc/95/62/31/418956231.db2.gz CAPNYGAFPXGXIC-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCc2ccsc2)[C@@H]1CC[NH3+] ZINC000652356016 418956492 /nfs/dbraw/zinc/95/64/92/418956492.db2.gz QFXRZDSUBDVVOI-DZGCQCFKSA-N 2 1 266.454 3.130 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)C2CC2)C1 ZINC000653564143 419049976 /nfs/dbraw/zinc/04/99/76/419049976.db2.gz RGFBFNCQEQVRPY-OAHLLOKOSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653564143 419049980 /nfs/dbraw/zinc/04/99/80/419049980.db2.gz RGFBFNCQEQVRPY-OAHLLOKOSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653564143 419049983 /nfs/dbraw/zinc/04/99/83/419049983.db2.gz RGFBFNCQEQVRPY-OAHLLOKOSA-N 2 1 266.473 3.476 20 0 CGADMP CO[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000659943359 419039147 /nfs/dbraw/zinc/03/91/47/419039147.db2.gz BLOCZPWNUBHBAY-ZWKOTPCHSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000655754505 419088219 /nfs/dbraw/zinc/08/82/19/419088219.db2.gz YYHFAMOBMWHFTJ-UHFFFAOYSA-N 2 1 286.341 3.199 20 0 CGADMP CCC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccsc1 ZINC000665248178 419090322 /nfs/dbraw/zinc/09/03/22/419090322.db2.gz QZGBXDKHRXTGBE-CYBMUJFWSA-N 2 1 252.427 3.450 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CCCC2)C2CCC2)o1 ZINC000665247710 419090554 /nfs/dbraw/zinc/09/05/54/419090554.db2.gz IPFRDRHLKIQKGU-HNNXBMFYSA-N 2 1 262.397 3.290 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000665248970 419092231 /nfs/dbraw/zinc/09/22/31/419092231.db2.gz GYMVZHKHUMCEQP-LLVKDONJSA-N 2 1 282.428 3.470 20 0 CGADMP C[C@@H]1CCCC[C@H]1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000660167116 419092387 /nfs/dbraw/zinc/09/23/87/419092387.db2.gz MRKHYKUUVNRAOK-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000660167116 419092389 /nfs/dbraw/zinc/09/23/89/419092389.db2.gz MRKHYKUUVNRAOK-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000660167116 419092392 /nfs/dbraw/zinc/09/23/92/419092392.db2.gz MRKHYKUUVNRAOK-CVEARBPZSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000655771905 419093453 /nfs/dbraw/zinc/09/34/53/419093453.db2.gz QMYGZURVCIYXKB-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253467 419093444 /nfs/dbraw/zinc/09/34/44/419093444.db2.gz RLNHQFGKTDOQIV-NKKGCODLSA-N 2 1 276.399 3.049 20 0 CGADMP CCc1ccc([C@H](CC)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665277113 419100161 /nfs/dbraw/zinc/10/01/61/419100161.db2.gz UDACHRCBINTRQK-WIHSUSGWSA-N 2 1 258.409 3.042 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000665298328 419110636 /nfs/dbraw/zinc/11/06/36/419110636.db2.gz UZGNTVXJDKOAAG-CABCVRRESA-N 2 1 260.425 3.084 20 0 CGADMP C[C@@H]([NH2+]CCC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257488 419114039 /nfs/dbraw/zinc/11/40/39/419114039.db2.gz UIGXXRBZOBQZEA-ZBFHGGJFSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1C ZINC000659983829 419055463 /nfs/dbraw/zinc/05/54/63/419055463.db2.gz WUROTUGYTHCZPL-BIVLZKPYSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1C ZINC000659983829 419055464 /nfs/dbraw/zinc/05/54/64/419055464.db2.gz WUROTUGYTHCZPL-BIVLZKPYSA-N 2 1 264.457 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1C ZINC000659983829 419055468 /nfs/dbraw/zinc/05/54/68/419055468.db2.gz WUROTUGYTHCZPL-BIVLZKPYSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000660304973 419123406 /nfs/dbraw/zinc/12/34/06/419123406.db2.gz INPZJTJYTCSNTE-VQIMIIECSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000660304973 419123407 /nfs/dbraw/zinc/12/34/07/419123407.db2.gz INPZJTJYTCSNTE-VQIMIIECSA-N 2 1 284.447 3.453 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655682406 419062801 /nfs/dbraw/zinc/06/28/01/419062801.db2.gz DVCBKBFMURWTSD-KRWDZBQOSA-N 2 1 272.436 3.365 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655683926 419063888 /nfs/dbraw/zinc/06/38/88/419063888.db2.gz JAFAUTMKEBTMBS-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655729777 419079863 /nfs/dbraw/zinc/07/98/63/419079863.db2.gz DPGPJUGRSUYYLI-ZMSDIMECSA-N 2 1 282.472 3.044 20 0 CGADMP Clc1ccc(Cl)c(CC[N@@H+]2CCn3cncc3C2)c1 ZINC000660582043 419166179 /nfs/dbraw/zinc/16/61/79/419166179.db2.gz NNJVOXAXDCBUJT-UHFFFAOYSA-N 2 1 296.201 3.248 20 0 CGADMP Clc1ccc(Cl)c(CC[N@H+]2CCn3cncc3C2)c1 ZINC000660582043 419166180 /nfs/dbraw/zinc/16/61/80/419166180.db2.gz NNJVOXAXDCBUJT-UHFFFAOYSA-N 2 1 296.201 3.248 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654484 419177015 /nfs/dbraw/zinc/17/70/15/419177015.db2.gz GMDGDEUZOHETNY-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654484 419177017 /nfs/dbraw/zinc/17/70/17/419177017.db2.gz GMDGDEUZOHETNY-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654484 419177019 /nfs/dbraw/zinc/17/70/19/419177019.db2.gz GMDGDEUZOHETNY-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654484 419177021 /nfs/dbraw/zinc/17/70/21/419177021.db2.gz GMDGDEUZOHETNY-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660989 419177589 /nfs/dbraw/zinc/17/75/89/419177589.db2.gz YEOKUDQJMDCSCX-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660654972 419178176 /nfs/dbraw/zinc/17/81/76/419178176.db2.gz JQPAWBFDSCAMFU-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660654972 419178179 /nfs/dbraw/zinc/17/81/79/419178179.db2.gz JQPAWBFDSCAMFU-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660654972 419178180 /nfs/dbraw/zinc/17/81/80/419178180.db2.gz JQPAWBFDSCAMFU-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP CCc1ccccc1CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661785 419179060 /nfs/dbraw/zinc/17/90/60/419179060.db2.gz GQLAKYSNZMQBBJ-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccccc1CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661785 419179063 /nfs/dbraw/zinc/17/90/63/419179063.db2.gz GQLAKYSNZMQBBJ-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccccc1CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661785 419179066 /nfs/dbraw/zinc/17/90/66/419179066.db2.gz GQLAKYSNZMQBBJ-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657292555 419243901 /nfs/dbraw/zinc/24/39/01/419243901.db2.gz MVWPBCNQBCGTIR-UHFFFAOYSA-N 2 1 271.408 3.050 20 0 CGADMP COCc1csc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000657293908 419244389 /nfs/dbraw/zinc/24/43/89/419244389.db2.gz WVXKBGOAFIOWJI-CQSZACIVSA-N 2 1 296.480 3.249 20 0 CGADMP COCc1csc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000657293908 419244391 /nfs/dbraw/zinc/24/43/91/419244391.db2.gz WVXKBGOAFIOWJI-CQSZACIVSA-N 2 1 296.480 3.249 20 0 CGADMP Clc1cnc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781978 419217840 /nfs/dbraw/zinc/21/78/40/419217840.db2.gz BMQIIIDNSAHOKX-GFCCVEGCSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781978 419217843 /nfs/dbraw/zinc/21/78/43/419217843.db2.gz BMQIIIDNSAHOKX-GFCCVEGCSA-N 2 1 299.871 3.008 20 0 CGADMP CCSc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656789301 419221011 /nfs/dbraw/zinc/22/10/11/419221011.db2.gz MDPTWXSJKWWMSU-UHFFFAOYSA-N 2 1 264.438 3.160 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661873265 419310113 /nfs/dbraw/zinc/31/01/13/419310113.db2.gz DTBWFSXBCYJIPO-ROUUACIJSA-N 2 1 294.483 3.144 20 0 CGADMP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCC1 ZINC000356088887 228115951 /nfs/dbraw/zinc/11/59/51/228115951.db2.gz CVXCZIDWSWFKAX-HNNXBMFYSA-N 2 1 284.513 3.230 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000657678038 419326801 /nfs/dbraw/zinc/32/68/01/419326801.db2.gz LQDISOFJCHSXKK-RBSFLKMASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000657678038 419326803 /nfs/dbraw/zinc/32/68/03/419326803.db2.gz LQDISOFJCHSXKK-RBSFLKMASA-N 2 1 250.430 3.172 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000662000523 419322709 /nfs/dbraw/zinc/32/27/09/419322709.db2.gz GNNVOHSUBWUFLQ-JEYLPNPQSA-N 2 1 281.419 3.478 20 0 CGADMP COc1cccc(C2([NH2+]CCCn3cc[nH+]c3C)CCC2)c1 ZINC000662109522 419336315 /nfs/dbraw/zinc/33/63/15/419336315.db2.gz KWHSDYDURCPNKP-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000662180233 419352323 /nfs/dbraw/zinc/35/23/23/419352323.db2.gz OXFMWKYMJSRSTL-GFCCVEGCSA-N 2 1 262.388 3.132 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000662180233 419352331 /nfs/dbraw/zinc/35/23/31/419352331.db2.gz OXFMWKYMJSRSTL-GFCCVEGCSA-N 2 1 262.388 3.132 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198921 419359154 /nfs/dbraw/zinc/35/91/54/419359154.db2.gz XNPKSPJLCQPFMZ-IRXDYDNUSA-N 2 1 272.436 3.133 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198921 419359160 /nfs/dbraw/zinc/35/91/60/419359160.db2.gz XNPKSPJLCQPFMZ-IRXDYDNUSA-N 2 1 272.436 3.133 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198921 419359166 /nfs/dbraw/zinc/35/91/66/419359166.db2.gz XNPKSPJLCQPFMZ-IRXDYDNUSA-N 2 1 272.436 3.133 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319704 419389150 /nfs/dbraw/zinc/38/91/50/419389150.db2.gz ATOGTHSVWNGZPI-IAGOWNOFSA-N 2 1 290.451 3.099 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCCSCC1)C1CCCCC1 ZINC000657854937 419390635 /nfs/dbraw/zinc/39/06/35/419390635.db2.gz YVGUBONRWNMDMQ-AWEZNQCLSA-N 2 1 270.486 3.126 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCCSCC1)C1CCCCC1 ZINC000657854937 419390638 /nfs/dbraw/zinc/39/06/38/419390638.db2.gz YVGUBONRWNMDMQ-AWEZNQCLSA-N 2 1 270.486 3.126 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCc2ccccc21 ZINC000662324617 419392356 /nfs/dbraw/zinc/39/23/56/419392356.db2.gz ZIDOENDWIPPUDG-KRWDZBQOSA-N 2 1 272.436 3.038 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cc3cnccc3o2)C1 ZINC000657864409 419393581 /nfs/dbraw/zinc/39/35/81/419393581.db2.gz ZZZPOKYEOLKYCD-KGLIPLIRSA-N 2 1 287.407 3.210 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000657864409 419393595 /nfs/dbraw/zinc/39/35/95/419393595.db2.gz ZZZPOKYEOLKYCD-KGLIPLIRSA-N 2 1 287.407 3.210 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657871659 419395979 /nfs/dbraw/zinc/39/59/79/419395979.db2.gz WDVAEKNAXHMCHB-QWRGUYRKSA-N 2 1 273.371 3.097 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657891652 419410867 /nfs/dbraw/zinc/41/08/67/419410867.db2.gz VOLUHUFMQLKMRH-LLVKDONJSA-N 2 1 273.371 3.241 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662257311 419374361 /nfs/dbraw/zinc/37/43/61/419374361.db2.gz MARYAHZOSRVXBD-QGZVFWFLSA-N 2 1 272.436 3.343 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662264468 419375832 /nfs/dbraw/zinc/37/58/32/419375832.db2.gz DNBJFDMSEWJLMJ-DZGCQCFKSA-N 2 1 260.425 3.153 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272014 419379717 /nfs/dbraw/zinc/37/97/17/419379717.db2.gz BFUMZWQYEKILCK-QLFBSQMISA-N 2 1 288.426 3.379 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657842973 419384306 /nfs/dbraw/zinc/38/43/06/419384306.db2.gz CSOULDQZWONKNF-ZDUSSCGKSA-N 2 1 288.426 3.174 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657842973 419384311 /nfs/dbraw/zinc/38/43/11/419384311.db2.gz CSOULDQZWONKNF-ZDUSSCGKSA-N 2 1 288.426 3.174 20 0 CGADMP Clc1ccc2c(c1Cl)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000662299435 419387236 /nfs/dbraw/zinc/38/72/36/419387236.db2.gz PRNGRBJPLSNBQF-LLVKDONJSA-N 2 1 299.245 3.351 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658043672 419518310 /nfs/dbraw/zinc/51/83/10/419518310.db2.gz QOUWFQUYGJORBX-LBPRGKRZSA-N 2 1 264.404 3.234 20 0 CGADMP CCC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346247 419566340 /nfs/dbraw/zinc/56/63/40/419566340.db2.gz RPOGIVSTZCDQLO-GOEBONIOSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCCSCC1 ZINC000658025386 419501171 /nfs/dbraw/zinc/50/11/71/419501171.db2.gz AZAOKTNYRUVBOW-CVEARBPZSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CC1(C)C ZINC000663344362 419567374 /nfs/dbraw/zinc/56/73/74/419567374.db2.gz RVNXCADLOBOZAR-NUEKZKHPSA-N 2 1 264.457 3.133 20 0 CGADMP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471782 419624004 /nfs/dbraw/zinc/62/40/04/419624004.db2.gz YCYRMAGDCQXIPN-JKSUJKDBSA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230471 419691363 /nfs/dbraw/zinc/69/13/63/419691363.db2.gz YWSMXZJDWSFPOJ-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230471 419691368 /nfs/dbraw/zinc/69/13/68/419691368.db2.gz YWSMXZJDWSFPOJ-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP c1cc2c(cc[nH+]c2N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000663734718 419699943 /nfs/dbraw/zinc/69/99/43/419699943.db2.gz BQXYACKQQNOXFG-DYVFJYSZSA-N 2 1 296.418 3.016 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000664074709 419819546 /nfs/dbraw/zinc/81/95/46/419819546.db2.gz WMEBISIXDNHIND-KLPPZKSPSA-N 2 1 287.329 3.161 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+]C[C@@H]2CC=CCC2)([NH+](C)C)C1 ZINC000226701494 287635416 /nfs/dbraw/zinc/63/54/16/287635416.db2.gz UJOMYBABDOVECH-BRWVUGGUSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000221937933 262332022 /nfs/dbraw/zinc/33/20/22/262332022.db2.gz CQQWSECZKBCDPD-LPWJVIDDSA-N 2 1 278.362 3.037 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000221937933 262332024 /nfs/dbraw/zinc/33/20/24/262332024.db2.gz CQQWSECZKBCDPD-LPWJVIDDSA-N 2 1 278.362 3.037 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCC4CC4)C[C@@H]3C2)cc1 ZINC000390811830 262348514 /nfs/dbraw/zinc/34/85/14/262348514.db2.gz WIDLFIXGXJEXNN-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CC4)C[C@@H]3C2)cc1 ZINC000390811830 262348516 /nfs/dbraw/zinc/34/85/16/262348516.db2.gz WIDLFIXGXJEXNN-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CC4)C[C@@H]3C2)cc1 ZINC000390811830 262348517 /nfs/dbraw/zinc/34/85/17/262348517.db2.gz WIDLFIXGXJEXNN-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000036996996 270028485 /nfs/dbraw/zinc/02/84/85/270028485.db2.gz IUNGRGJVDADTQQ-LXWWYSJOSA-N 2 1 274.452 3.028 20 0 CGADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000036996996 270028486 /nfs/dbraw/zinc/02/84/86/270028486.db2.gz IUNGRGJVDADTQQ-LXWWYSJOSA-N 2 1 274.452 3.028 20 0 CGADMP C[C@H]1CCC[C@@](C[NH2+]C2CCCCC2)([NH+](C)C)C1 ZINC000040668500 270029871 /nfs/dbraw/zinc/02/98/71/270029871.db2.gz LGZLOQGYPNJPLV-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044535709 270036010 /nfs/dbraw/zinc/03/60/10/270036010.db2.gz XWBSGYJGYCKGHY-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000044535509 270036510 /nfs/dbraw/zinc/03/65/10/270036510.db2.gz YZAVXRGVPYVMJO-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000044535509 270036511 /nfs/dbraw/zinc/03/65/11/270036511.db2.gz YZAVXRGVPYVMJO-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000335919492 270095401 /nfs/dbraw/zinc/09/54/01/270095401.db2.gz PRVWKNAQDRQEKX-MRXNPFEDSA-N 2 1 262.441 3.316 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000523297409 270108255 /nfs/dbraw/zinc/10/82/55/270108255.db2.gz RENAGIWBAAFIOH-JBXOJTMHSA-N 2 1 258.409 3.021 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527877346 270141550 /nfs/dbraw/zinc/14/15/50/270141550.db2.gz VBJMEYUIWFVAEY-INIZCTEOSA-N 2 1 294.801 3.318 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527855631 270140031 /nfs/dbraw/zinc/14/00/31/270140031.db2.gz YXQIIDPJIULETB-QFBILLFUSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCCC1(C)C ZINC000527919347 270143847 /nfs/dbraw/zinc/14/38/47/270143847.db2.gz HPSGZJYXJNHVNG-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527923764 270144638 /nfs/dbraw/zinc/14/46/38/270144638.db2.gz GGUROCLLAXLTSM-CXAGYDPISA-N 2 1 264.457 3.133 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC1 ZINC000527945045 270146042 /nfs/dbraw/zinc/14/60/42/270146042.db2.gz QHCCSCZKUSHTFR-IXDOHACOSA-N 2 1 290.838 3.052 20 0 CGADMP C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015454 270151536 /nfs/dbraw/zinc/15/15/36/270151536.db2.gz XNLPBLBZKFXJTH-CJNGLKHVSA-N 2 1 274.408 3.060 20 0 CGADMP C/C(Cl)=C/C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528441729 270165945 /nfs/dbraw/zinc/16/59/45/270165945.db2.gz QWLIRDKWCISEEL-GJQIVEAUSA-N 2 1 270.848 3.372 20 0 CGADMP c1cc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2[nH]1 ZINC000529528962 270182425 /nfs/dbraw/zinc/18/24/25/270182425.db2.gz LLGALJWDPNWYPT-MRXNPFEDSA-N 2 1 283.419 3.086 20 0 CGADMP COc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C(C)C)cc1 ZINC000530214208 270195602 /nfs/dbraw/zinc/19/56/02/270195602.db2.gz CEIWAVDBQZJBRZ-SJORKVTESA-N 2 1 288.435 3.267 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530226277 270196871 /nfs/dbraw/zinc/19/68/71/270196871.db2.gz ZGCMTZVCAUIPJD-SJORKVTESA-N 2 1 270.420 3.320 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2OC)C1 ZINC000530666346 270201633 /nfs/dbraw/zinc/20/16/33/270201633.db2.gz PKVNJWQUVXHIIF-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2OC)C1 ZINC000530666346 270201634 /nfs/dbraw/zinc/20/16/34/270201634.db2.gz PKVNJWQUVXHIIF-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000530666346 270201635 /nfs/dbraw/zinc/20/16/35/270201635.db2.gz PKVNJWQUVXHIIF-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000530666346 270201636 /nfs/dbraw/zinc/20/16/36/270201636.db2.gz PKVNJWQUVXHIIF-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000531989165 270212314 /nfs/dbraw/zinc/21/23/14/270212314.db2.gz IOXHUUZBGJAWIP-GOSISDBHSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734656 270219292 /nfs/dbraw/zinc/21/92/92/270219292.db2.gz ZPHMQQICKJSSLW-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734656 270219293 /nfs/dbraw/zinc/21/92/93/270219293.db2.gz ZPHMQQICKJSSLW-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734656 270219294 /nfs/dbraw/zinc/21/92/94/270219294.db2.gz ZPHMQQICKJSSLW-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423287695 273506623 /nfs/dbraw/zinc/50/66/23/273506623.db2.gz NWGPXYWPIMJYFF-LBPRGKRZSA-N 2 1 273.207 3.308 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423475653 273721226 /nfs/dbraw/zinc/72/12/26/273721226.db2.gz RTSWVEVFDCRFKR-NOZJJQNGSA-N 2 1 273.207 3.308 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423263463 274476131 /nfs/dbraw/zinc/47/61/31/274476131.db2.gz OKJTVXHSTGAWRR-QAPCUYQASA-N 2 1 289.467 3.290 20 0 CGADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)C1CCCCCC1 ZINC000422561498 275390751 /nfs/dbraw/zinc/39/07/51/275390751.db2.gz LNNVGKMFCDTGFM-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984726 275395559 /nfs/dbraw/zinc/39/55/59/275395559.db2.gz IBJXDJQTGZUZBO-BRWVUGGUSA-N 2 1 292.467 3.085 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000423399469 276106755 /nfs/dbraw/zinc/10/67/55/276106755.db2.gz WETVXNJUFZYWKR-WXRRBKDZSA-N 2 1 274.399 3.178 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337333498 276221800 /nfs/dbraw/zinc/22/18/00/276221800.db2.gz JSVXJKMLDBXPOR-NUJGCVRESA-N 2 1 287.451 3.039 20 0 CGADMP CCC[N@@H+](C[C@H]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000470010112 276255206 /nfs/dbraw/zinc/25/52/06/276255206.db2.gz XCCPVRQOUPRBHL-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550333 276308055 /nfs/dbraw/zinc/30/80/55/276308055.db2.gz NVSGPPWYHJEQSM-HZPDHXFCSA-N 2 1 290.451 3.072 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550333 276308056 /nfs/dbraw/zinc/30/80/56/276308056.db2.gz NVSGPPWYHJEQSM-HZPDHXFCSA-N 2 1 290.451 3.072 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550333 276308057 /nfs/dbraw/zinc/30/80/57/276308057.db2.gz NVSGPPWYHJEQSM-HZPDHXFCSA-N 2 1 290.451 3.072 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000474477353 276331051 /nfs/dbraw/zinc/33/10/51/276331051.db2.gz MJJRUXNSCFSYTF-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000262382364 276334706 /nfs/dbraw/zinc/33/47/06/276334706.db2.gz YWQUTVYPSVTLAR-RBUKOAKNSA-N 2 1 296.414 3.458 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000037141647 276360394 /nfs/dbraw/zinc/36/03/94/276360394.db2.gz NPIPCRWWJZRFHJ-YPMHNXCESA-N 2 1 278.362 3.181 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000351269698 276399983 /nfs/dbraw/zinc/39/99/83/276399983.db2.gz MRIKDQWZKXXFFY-HNNXBMFYSA-N 2 1 272.502 3.326 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071156 287919868 /nfs/dbraw/zinc/91/98/68/287919868.db2.gz VZPTVRROEPDVGH-IAGOWNOFSA-N 2 1 260.425 3.115 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc3ccccc3o2)CC1 ZINC000355045582 277038301 /nfs/dbraw/zinc/03/83/01/277038301.db2.gz ACOHPJJTXWAJJD-UHFFFAOYSA-N 2 1 284.403 3.493 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158501027 277069533 /nfs/dbraw/zinc/06/95/33/277069533.db2.gz WDPKRDACPDKNDM-AEFFLSMTSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158501027 277069534 /nfs/dbraw/zinc/06/95/34/277069534.db2.gz WDPKRDACPDKNDM-AEFFLSMTSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158501027 277069536 /nfs/dbraw/zinc/06/95/36/277069536.db2.gz WDPKRDACPDKNDM-AEFFLSMTSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423235367 277272825 /nfs/dbraw/zinc/27/28/25/277272825.db2.gz APIMOEUQEWJYTE-KBPBESRZSA-N 2 1 286.341 3.151 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000090586525 277392002 /nfs/dbraw/zinc/39/20/02/277392002.db2.gz QLBIHZHYBVGSIX-GJZGRUSLSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395119500 288006059 /nfs/dbraw/zinc/00/60/59/288006059.db2.gz STLDLNQMJMMSSY-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000335149716 278079694 /nfs/dbraw/zinc/07/96/94/278079694.db2.gz VLKQKYCVFAKOCY-ZFWWWQNUSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000335149716 278079696 /nfs/dbraw/zinc/07/96/96/278079696.db2.gz VLKQKYCVFAKOCY-ZFWWWQNUSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000335149716 278079697 /nfs/dbraw/zinc/07/96/97/278079697.db2.gz VLKQKYCVFAKOCY-ZFWWWQNUSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000335149716 278079698 /nfs/dbraw/zinc/07/96/98/278079698.db2.gz VLKQKYCVFAKOCY-ZFWWWQNUSA-N 2 1 293.480 3.183 20 0 CGADMP CSC1(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CCC1 ZINC000356127372 278122403 /nfs/dbraw/zinc/12/24/03/278122403.db2.gz OBDZZVBERMUMMJ-AWEZNQCLSA-N 2 1 270.486 3.078 20 0 CGADMP CSC1(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000356127372 278122404 /nfs/dbraw/zinc/12/24/04/278122404.db2.gz OBDZZVBERMUMMJ-AWEZNQCLSA-N 2 1 270.486 3.078 20 0 CGADMP CSC1(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CCC1 ZINC000356127372 278122406 /nfs/dbraw/zinc/12/24/06/278122406.db2.gz OBDZZVBERMUMMJ-AWEZNQCLSA-N 2 1 270.486 3.078 20 0 CGADMP CC1(C)CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000311424932 278197149 /nfs/dbraw/zinc/19/71/49/278197149.db2.gz BJQZBJSCHJUVRH-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000397274615 288022580 /nfs/dbraw/zinc/02/25/80/288022580.db2.gz PCZDZTMKMOJEAO-XUJVJEKNSA-N 2 1 282.378 3.429 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C/c2ccccc2)C[C@H]1C[NH3+] ZINC000397399769 288023347 /nfs/dbraw/zinc/02/33/47/288023347.db2.gz QPIUGDQNVBMDPD-VERIRKINSA-N 2 1 258.409 3.005 20 0 CGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414929584 278223570 /nfs/dbraw/zinc/22/35/70/278223570.db2.gz OUACEMAHVMTTBC-INIZCTEOSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000397396399 288023446 /nfs/dbraw/zinc/02/34/46/288023446.db2.gz PHNHAJVJMRXLNL-MGPQQGTHSA-N 2 1 272.392 3.238 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000397399701 288023465 /nfs/dbraw/zinc/02/34/65/288023465.db2.gz MKSDGFKFZVHBOF-MBNYWOFBSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000397399701 288023469 /nfs/dbraw/zinc/02/34/69/288023469.db2.gz MKSDGFKFZVHBOF-MBNYWOFBSA-N 2 1 298.377 3.093 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000079974711 278243400 /nfs/dbraw/zinc/24/34/00/278243400.db2.gz DJFLTAVGYSBBEG-SOUVJXGZSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000079974711 278243401 /nfs/dbraw/zinc/24/34/01/278243401.db2.gz DJFLTAVGYSBBEG-SOUVJXGZSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC1(C)C ZINC000397759794 288029491 /nfs/dbraw/zinc/02/94/91/288029491.db2.gz KTWGXYNHRBBDDG-HOTGVXAUSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCCCC(F)(F)F)CC[NH2+]CC2 ZINC000424301515 278327863 /nfs/dbraw/zinc/32/78/63/278327863.db2.gz XMVUPZFWVONWOX-LBPRGKRZSA-N 2 1 278.362 3.183 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1F ZINC000340472231 278343680 /nfs/dbraw/zinc/34/36/80/278343680.db2.gz HIOWMZWIKLFJRO-HUUCEWRRSA-N 2 1 293.430 3.383 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000423130627 278356185 /nfs/dbraw/zinc/35/61/85/278356185.db2.gz GYDKASVGCPNFHA-SKDZVZGDSA-N 2 1 281.403 3.339 20 0 CGADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC12CCC2 ZINC000357036045 278367581 /nfs/dbraw/zinc/36/75/81/278367581.db2.gz JXJBWXCCLKKNLI-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC12CCC2 ZINC000357036045 278367582 /nfs/dbraw/zinc/36/75/82/278367582.db2.gz JXJBWXCCLKKNLI-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC12CCC2 ZINC000357036045 278367583 /nfs/dbraw/zinc/36/75/83/278367583.db2.gz JXJBWXCCLKKNLI-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422712815 278467074 /nfs/dbraw/zinc/46/70/74/278467074.db2.gz OMRDKCVIKUMFJH-QCSYZSNVSA-N 2 1 288.435 3.316 20 0 CGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359221763 279130205 /nfs/dbraw/zinc/13/02/05/279130205.db2.gz XVMGQNXUTIDAQS-GFCCVEGCSA-N 2 1 294.389 3.274 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179426154 279134368 /nfs/dbraw/zinc/13/43/68/279134368.db2.gz LKLYYSNWFMRIOG-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000179426154 279134369 /nfs/dbraw/zinc/13/43/69/279134369.db2.gz LKLYYSNWFMRIOG-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000179426154 279134370 /nfs/dbraw/zinc/13/43/70/279134370.db2.gz LKLYYSNWFMRIOG-ZBFHGGJFSA-N 2 1 258.409 3.090 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000414677739 279179266 /nfs/dbraw/zinc/17/92/66/279179266.db2.gz JMAWTSVAPUEHTK-STQMWFEESA-N 2 1 252.427 3.258 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccs1 ZINC000414677739 279179268 /nfs/dbraw/zinc/17/92/68/279179268.db2.gz JMAWTSVAPUEHTK-STQMWFEESA-N 2 1 252.427 3.258 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000122218634 279353208 /nfs/dbraw/zinc/35/32/08/279353208.db2.gz VMPFWVINHVFILC-ZBFHGGJFSA-N 2 1 276.424 3.369 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442790046 288155607 /nfs/dbraw/zinc/15/56/07/288155607.db2.gz ZWTGWOKZZPKFOS-ZIBATOQPSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442790046 288155609 /nfs/dbraw/zinc/15/56/09/288155609.db2.gz ZWTGWOKZZPKFOS-ZIBATOQPSA-N 2 1 268.351 3.085 20 0 CGADMP C/C(Cl)=C\C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000528460019 288201816 /nfs/dbraw/zinc/20/18/16/288201816.db2.gz QHEWCJWXWUSMCQ-UWUHSAQLSA-N 2 1 279.815 3.151 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791425 280173467 /nfs/dbraw/zinc/17/34/67/280173467.db2.gz QWIOJNCBCYLEQV-KANFNMMFSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791425 280173468 /nfs/dbraw/zinc/17/34/68/280173468.db2.gz QWIOJNCBCYLEQV-KANFNMMFSA-N 2 1 284.447 3.181 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449433197 280296177 /nfs/dbraw/zinc/29/61/77/280296177.db2.gz LDTHHAOQOANBIB-ZJIFWQFVSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000262022071 280376722 /nfs/dbraw/zinc/37/67/22/280376722.db2.gz WHAFCPPNAQABMI-VXGBXAGGSA-N 2 1 286.341 3.183 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529537274 288259648 /nfs/dbraw/zinc/25/96/48/288259648.db2.gz UWAAXPIQKHCEDJ-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423242356 280799844 /nfs/dbraw/zinc/79/98/44/280799844.db2.gz VMUJIVMSFSISQO-GDBMZVCRSA-N 2 1 258.409 3.022 20 0 CGADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000530206635 288299723 /nfs/dbraw/zinc/29/97/23/288299723.db2.gz MCRWOXSLQWVQRJ-QGZVFWFLSA-N 2 1 290.426 3.393 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC1(C)C)c1c[nH+]ccc1N ZINC000530213480 288300397 /nfs/dbraw/zinc/30/03/97/288300397.db2.gz VUMAIIXWULRYKM-STQMWFEESA-N 2 1 261.413 3.361 20 0 CGADMP C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530176373 288294465 /nfs/dbraw/zinc/29/44/65/288294465.db2.gz AQTVTTAKJQHQOB-BBRMVZONSA-N 2 1 276.399 3.021 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407420 288305149 /nfs/dbraw/zinc/30/51/49/288305149.db2.gz GILCMGXVOPNBKY-ZIAGYGMSSA-N 2 1 251.418 3.013 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000530407434 288305159 /nfs/dbraw/zinc/30/51/59/288305159.db2.gz HFRIHKAADYGIBZ-IEBWSBKVSA-N 2 1 297.446 3.354 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414687478 281367001 /nfs/dbraw/zinc/36/70/01/281367001.db2.gz BVKVYIAKBVJXQN-IXDOHACOSA-N 2 1 272.436 3.172 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H](CC)C1CCOCC1)[NH+](C)C ZINC000532458656 288362106 /nfs/dbraw/zinc/36/21/06/288362106.db2.gz IUFZSCWKTXJHSN-DLBZAZTESA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000532469320 288363191 /nfs/dbraw/zinc/36/31/91/288363191.db2.gz GMJQQMTZDWEJJE-UXLLHSPISA-N 2 1 260.425 3.110 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@@H]1C ZINC000534629140 288421834 /nfs/dbraw/zinc/42/18/34/288421834.db2.gz MMQFLFGONIGGOG-IMJJTQAJSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236528 289038839 /nfs/dbraw/zinc/03/88/39/289038839.db2.gz CGTCJTDFKRSWGG-LAQRGFTBSA-N 2 1 274.452 3.499 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236528 289038841 /nfs/dbraw/zinc/03/88/41/289038841.db2.gz CGTCJTDFKRSWGG-LAQRGFTBSA-N 2 1 274.452 3.499 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCc3ccccc3)C2)C1 ZINC000549840937 289055773 /nfs/dbraw/zinc/05/57/73/289055773.db2.gz QJYNJBCZHMSVAR-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000552063205 289157546 /nfs/dbraw/zinc/15/75/46/289157546.db2.gz SIAJDVSUYZDDJR-CEXWTWQISA-N 2 1 298.474 3.472 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000552100674 289163160 /nfs/dbraw/zinc/16/31/60/289163160.db2.gz QPOKMBFVMXMAJB-HRCADAONSA-N 2 1 270.436 3.369 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000552100674 289163164 /nfs/dbraw/zinc/16/31/64/289163164.db2.gz QPOKMBFVMXMAJB-HRCADAONSA-N 2 1 270.436 3.369 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)[C@H]2CCC[C@H]21 ZINC000552244471 289174420 /nfs/dbraw/zinc/17/44/20/289174420.db2.gz BKCUPHDWFYOJNF-OWCLPIDISA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000552280427 289177903 /nfs/dbraw/zinc/17/79/03/289177903.db2.gz GTQOKOLGWZTPGC-UAGQMJEPSA-N 2 1 266.473 3.377 20 0 CGADMP CC(C)C[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552560259 289192793 /nfs/dbraw/zinc/19/27/93/289192793.db2.gz QLTBUGDBTJRZJB-YESZJQIVSA-N 2 1 296.499 3.242 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC000553506895 289228055 /nfs/dbraw/zinc/22/80/55/289228055.db2.gz BNJYEHBHRPCTIC-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)[NH+]1CCCC1 ZINC000554349728 289273533 /nfs/dbraw/zinc/27/35/33/289273533.db2.gz MZGXKHMEPYWEGN-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CCCC1 ZINC000554349873 289273555 /nfs/dbraw/zinc/27/35/55/289273555.db2.gz RKYPKNBEWAFVPU-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000554820386 289311306 /nfs/dbraw/zinc/31/13/06/289311306.db2.gz PYDYFVNKZDJHJV-SFHVURJKSA-N 2 1 274.452 3.208 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC1(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000342588276 290041779 /nfs/dbraw/zinc/04/17/79/290041779.db2.gz CUTLZSFYWVWPIY-DZKIICNBSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc(NC(C)(C)C[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302516879 301362851 /nfs/dbraw/zinc/36/28/51/301362851.db2.gz HNEGYEHMDMKTHG-UHFFFAOYSA-N 2 1 298.434 3.416 20 0 CGADMP Cc1cc(NC(C)(C)C[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC000302516879 301362854 /nfs/dbraw/zinc/36/28/54/301362854.db2.gz HNEGYEHMDMKTHG-UHFFFAOYSA-N 2 1 298.434 3.416 20 0 CGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCCCC2)cc1F ZINC000423366907 303131128 /nfs/dbraw/zinc/13/11/28/303131128.db2.gz LSLUPITVDMPWRJ-WMLDXEAASA-N 2 1 294.389 3.333 20 0 CGADMP C[C@@H](CF)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449332117 533703821 /nfs/dbraw/zinc/70/38/21/533703821.db2.gz QDQZRFXZQKMBBS-GJZGRUSLSA-N 2 1 278.415 3.030 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000394878249 329163513 /nfs/dbraw/zinc/16/35/13/329163513.db2.gz GPZQBYNVVDPMHL-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccsc2S1 ZINC000401791383 321969380 /nfs/dbraw/zinc/96/93/80/321969380.db2.gz HHKWRJHDUGFESG-GXFFZTMASA-N 2 1 293.461 3.239 20 0 CGADMP c1cc2nccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2s1 ZINC000563491047 322000337 /nfs/dbraw/zinc/00/03/37/322000337.db2.gz ZOUYTHOBMJTEDA-LLVKDONJSA-N 2 1 273.405 3.193 20 0 CGADMP c1cc2[nH+]ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2s1 ZINC000563491047 322000340 /nfs/dbraw/zinc/00/03/40/322000340.db2.gz ZOUYTHOBMJTEDA-LLVKDONJSA-N 2 1 273.405 3.193 20 0 CGADMP c1cc2[nH+]ccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2s1 ZINC000563491047 322000343 /nfs/dbraw/zinc/00/03/43/322000343.db2.gz ZOUYTHOBMJTEDA-LLVKDONJSA-N 2 1 273.405 3.193 20 0 CGADMP CC(C)C1CCC(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000564299660 322025769 /nfs/dbraw/zinc/02/57/69/322025769.db2.gz RSXVCMFVVGWNGJ-FOIPXRHGSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000564299660 322025772 /nfs/dbraw/zinc/02/57/72/322025772.db2.gz RSXVCMFVVGWNGJ-FOIPXRHGSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000564299660 322025774 /nfs/dbraw/zinc/02/57/74/322025774.db2.gz RSXVCMFVVGWNGJ-FOIPXRHGSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000564299660 322025777 /nfs/dbraw/zinc/02/57/77/322025777.db2.gz RSXVCMFVVGWNGJ-FOIPXRHGSA-N 2 1 278.484 3.475 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)CCCc1cncn1C ZINC000565163941 322064007 /nfs/dbraw/zinc/06/40/07/322064007.db2.gz LUQWOWKMAIGHIE-GFCCVEGCSA-N 2 1 263.410 3.107 20 0 CGADMP C[C@H](c1cccs1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565163941 322064008 /nfs/dbraw/zinc/06/40/08/322064008.db2.gz LUQWOWKMAIGHIE-GFCCVEGCSA-N 2 1 263.410 3.107 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565163941 322064010 /nfs/dbraw/zinc/06/40/10/322064010.db2.gz LUQWOWKMAIGHIE-GFCCVEGCSA-N 2 1 263.410 3.107 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000565834114 322093321 /nfs/dbraw/zinc/09/33/21/322093321.db2.gz YCKZDESGDMVMLH-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000565862939 322094510 /nfs/dbraw/zinc/09/45/10/322094510.db2.gz LERNRZONSRFZJS-VSZNYVQBSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000565862939 322094513 /nfs/dbraw/zinc/09/45/13/322094513.db2.gz LERNRZONSRFZJS-VSZNYVQBSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1Cl ZINC000565900991 322096191 /nfs/dbraw/zinc/09/61/91/322096191.db2.gz WUDXDKRWQZEJQU-NSHDSACASA-N 2 1 295.789 3.496 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@]1(C)CCC[NH2+]C1 ZINC000566236204 322111000 /nfs/dbraw/zinc/11/10/00/322111000.db2.gz ZYDCKRFVCJYWQX-QGZVFWFLSA-N 2 1 269.392 3.345 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566413900 322120937 /nfs/dbraw/zinc/12/09/37/322120937.db2.gz JXLQYVNLLIMXNK-AEFFLSMTSA-N 2 1 297.446 3.306 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000566413900 322120939 /nfs/dbraw/zinc/12/09/39/322120939.db2.gz JXLQYVNLLIMXNK-AEFFLSMTSA-N 2 1 297.446 3.306 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000567409989 322162288 /nfs/dbraw/zinc/16/22/88/322162288.db2.gz MMACXCKMLVWSTK-VRXFMZDNSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000567409989 322162289 /nfs/dbraw/zinc/16/22/89/322162289.db2.gz MMACXCKMLVWSTK-VRXFMZDNSA-N 2 1 264.457 3.131 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000567429214 322162814 /nfs/dbraw/zinc/16/28/14/322162814.db2.gz CYUZEERUSAWIBW-UHFFFAOYSA-N 2 1 290.451 3.174 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000567429214 322162816 /nfs/dbraw/zinc/16/28/16/322162816.db2.gz CYUZEERUSAWIBW-UHFFFAOYSA-N 2 1 290.451 3.174 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000567429174 322162969 /nfs/dbraw/zinc/16/29/69/322162969.db2.gz BUURPALRNZZUSO-ARFHVFGLSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000567429174 322162971 /nfs/dbraw/zinc/16/29/71/322162971.db2.gz BUURPALRNZZUSO-ARFHVFGLSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000567429174 322162973 /nfs/dbraw/zinc/16/29/73/322162973.db2.gz BUURPALRNZZUSO-ARFHVFGLSA-N 2 1 252.446 3.085 20 0 CGADMP c1ccc2c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)noc2c1 ZINC000568900935 322227073 /nfs/dbraw/zinc/22/70/73/322227073.db2.gz HREZSADPXYXFSL-VNQPRFMTSA-N 2 1 299.418 3.228 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000569468705 322247998 /nfs/dbraw/zinc/24/79/98/322247998.db2.gz HNEHLLGGFDKJAV-GOEBONIOSA-N 2 1 276.424 3.033 20 0 CGADMP CC(C)C(C[NH2+]Cc1c[nH+]ccc1N(C)C)C(C)C ZINC000569913787 322260423 /nfs/dbraw/zinc/26/04/23/322260423.db2.gz QIMORWMSHNIIIL-UHFFFAOYSA-N 2 1 263.429 3.165 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000570624378 322278257 /nfs/dbraw/zinc/27/82/57/322278257.db2.gz HEQHMTXLOWDKKN-SNVBAGLBSA-N 2 1 258.768 3.129 20 0 CGADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000572234649 322326467 /nfs/dbraw/zinc/32/64/67/322326467.db2.gz VNTXYLWEJGWCHQ-DLBZAZTESA-N 2 1 288.435 3.180 20 0 CGADMP Cc1ccc2cc[nH+]c(N[C@@H](C)CC[NH+](C)C)c2c1 ZINC000573202113 322375566 /nfs/dbraw/zinc/37/55/66/322375566.db2.gz NNXZQCQRLWOFFD-ZDUSSCGKSA-N 2 1 257.381 3.295 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000573436675 322387723 /nfs/dbraw/zinc/38/77/23/322387723.db2.gz AAKXBROLXZPXJT-OAHLLOKOSA-N 2 1 270.367 3.251 20 0 CGADMP CC1=CC[C@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000573583722 322395551 /nfs/dbraw/zinc/39/55/51/322395551.db2.gz CHMNQLYAKNWCCJ-HNNXBMFYSA-N 2 1 250.430 3.339 20 0 CGADMP CC1=CC[C@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000573583722 322395553 /nfs/dbraw/zinc/39/55/53/322395553.db2.gz CHMNQLYAKNWCCJ-HNNXBMFYSA-N 2 1 250.430 3.339 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000573649087 322398756 /nfs/dbraw/zinc/39/87/56/322398756.db2.gz WSYYBWVEVGTWNQ-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000573649087 322398758 /nfs/dbraw/zinc/39/87/58/322398758.db2.gz WSYYBWVEVGTWNQ-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000582528696 329107480 /nfs/dbraw/zinc/10/74/80/329107480.db2.gz KPSIUXGTTCPNIC-CYBMUJFWSA-N 2 1 266.454 3.143 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000582885992 329285520 /nfs/dbraw/zinc/28/55/20/329285520.db2.gz VYIVSCMIZRMCOD-MLHJIOFPSA-N 2 1 296.499 3.289 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336861982 335121901 /nfs/dbraw/zinc/12/19/01/335121901.db2.gz BRWNALBFSNJXFG-UHFFFAOYSA-N 2 1 297.446 3.203 20 0 CGADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576397243 335198369 /nfs/dbraw/zinc/19/83/69/335198369.db2.gz ZLKHUPYSZSNLFP-KURKYZTESA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000576959802 335270547 /nfs/dbraw/zinc/27/05/47/335270547.db2.gz QOOQXJCULCZGPS-XOKHGSTOSA-N 2 1 286.444 3.024 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000577739859 335394806 /nfs/dbraw/zinc/39/48/06/335394806.db2.gz ZZIAWLQKUIFQAN-CYBMUJFWSA-N 2 1 260.381 3.391 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000580783656 335966496 /nfs/dbraw/zinc/96/64/96/335966496.db2.gz UMGCCMTVORARAC-AWEZNQCLSA-N 2 1 287.407 3.021 20 0 CGADMP Cc1[nH+]ccn1CCCCNc1nccc2c(C)cccc21 ZINC000581127542 336012019 /nfs/dbraw/zinc/01/20/19/336012019.db2.gz AJLQERWPULGOSR-UHFFFAOYSA-N 2 1 294.402 3.362 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000581131406 336012882 /nfs/dbraw/zinc/01/28/82/336012882.db2.gz HHXCTJRMPBFMCG-KBPBESRZSA-N 2 1 269.392 3.473 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1c(F)cccc1Cl ZINC000581436861 336077894 /nfs/dbraw/zinc/07/78/94/336077894.db2.gz FDJUPYSUXNYFMW-VXGBXAGGSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1c(F)cccc1Cl ZINC000581436861 336077895 /nfs/dbraw/zinc/07/78/95/336077895.db2.gz FDJUPYSUXNYFMW-VXGBXAGGSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423352973 533865746 /nfs/dbraw/zinc/86/57/46/533865746.db2.gz AUQSXJVPHQNKIY-NWDGAFQWSA-N 2 1 284.350 3.081 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000423341163 533907350 /nfs/dbraw/zinc/90/73/50/533907350.db2.gz MLMAOSNOXVEMFR-UWVGGRQHSA-N 2 1 273.207 3.254 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423264597 533994768 /nfs/dbraw/zinc/99/47/68/533994768.db2.gz AJAJOQYYVBQHJR-ISVAXAHUSA-N 2 1 273.207 3.381 20 0 CGADMP CS[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000425366408 533998952 /nfs/dbraw/zinc/99/89/52/533998952.db2.gz ZZEXCRPVZOGJSF-DJIMGWMZSA-N 2 1 292.492 3.381 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)F ZINC000423400166 534006169 /nfs/dbraw/zinc/00/61/69/534006169.db2.gz WMCCTPUIBZJLQG-WOPDTQHZSA-N 2 1 284.350 3.079 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125171136 535723912 /nfs/dbraw/zinc/72/39/12/535723912.db2.gz FRNTYZYIGYHHFC-INIZCTEOSA-N 2 1 284.513 3.470 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000449074200 534258990 /nfs/dbraw/zinc/25/89/90/534258990.db2.gz TZKHFUBPCKPDSJ-INIZCTEOSA-N 2 1 298.430 3.249 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000449074200 534258995 /nfs/dbraw/zinc/25/89/95/534258995.db2.gz TZKHFUBPCKPDSJ-INIZCTEOSA-N 2 1 298.430 3.249 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000158050054 519765729 /nfs/dbraw/zinc/76/57/29/519765729.db2.gz FHIVFMBYKZKXKA-HNNXBMFYSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccccc2OC)C1 ZINC000151135024 519862175 /nfs/dbraw/zinc/86/21/75/519862175.db2.gz NJNBUCJNKRKXGR-RDJZCZTQSA-N 2 1 290.451 3.468 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCS2 ZINC000423361153 534504831 /nfs/dbraw/zinc/50/48/31/534504831.db2.gz MCXVUYDCWIQJTG-TZMCWYRMSA-N 2 1 280.412 3.094 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCOc2ccccc2Cl)CC1 ZINC000157505775 521559950 /nfs/dbraw/zinc/55/99/50/521559950.db2.gz LQBBVJLPRAKZON-UHFFFAOYSA-N 2 1 296.842 3.135 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccccc2Cl)CC1 ZINC000157505775 521559957 /nfs/dbraw/zinc/55/99/57/521559957.db2.gz LQBBVJLPRAKZON-UHFFFAOYSA-N 2 1 296.842 3.135 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643970 522856768 /nfs/dbraw/zinc/85/67/68/522856768.db2.gz XENQXFNQEPKKMO-WMLDXEAASA-N 2 1 276.424 3.078 20 0 CGADMP C[N@H+](Cc1ccccc1Cl)CC1CC[NH+](C)CC1 ZINC000104086381 523365402 /nfs/dbraw/zinc/36/54/02/523365402.db2.gz DDTHLNCECBZCJC-UHFFFAOYSA-N 2 1 266.816 3.114 20 0 CGADMP C[NH+]1CCC([NH2+]CC(C)(C)c2cccc(Cl)c2F)CC1 ZINC000186566737 523775578 /nfs/dbraw/zinc/77/55/78/523775578.db2.gz VIOWMYKTCAXYSV-UHFFFAOYSA-N 2 1 298.833 3.441 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433798 524169631 /nfs/dbraw/zinc/16/96/31/524169631.db2.gz GXVUUFSVNZVERW-VXGBXAGGSA-N 2 1 277.437 3.287 20 0 CGADMP C[C@H](CC[NH2+][C@H](C)c1cncc(F)c1)[NH+]1CCCCC1 ZINC000184497475 524196319 /nfs/dbraw/zinc/19/63/19/524196319.db2.gz VJAYEDQIZPBWRW-ZIAGYGMSSA-N 2 1 279.403 3.136 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000449164225 534768337 /nfs/dbraw/zinc/76/83/37/534768337.db2.gz OWCFBDGZIIZZJI-SQWLQELKSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC(C)(C)C ZINC000449161842 534769181 /nfs/dbraw/zinc/76/91/81/534769181.db2.gz HCNBDGNKGRDYIJ-CYBMUJFWSA-N 2 1 251.418 3.386 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000093977901 524248791 /nfs/dbraw/zinc/24/87/91/524248791.db2.gz TXHBPYKKRBYRIG-BPQIPLTHSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000184955266 524434722 /nfs/dbraw/zinc/43/47/22/524434722.db2.gz QPFQKAHESUAUKW-KDOFPFPSSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000049553257 524479843 /nfs/dbraw/zinc/47/98/43/524479843.db2.gz XOVDICDYVLBIFZ-GXTWGEPZSA-N 2 1 264.438 3.153 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000050569239 524974984 /nfs/dbraw/zinc/97/49/84/524974984.db2.gz ZXLVKMDALOVWRP-UHFFFAOYSA-N 2 1 264.388 3.097 20 0 CGADMP Cc1cccnc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000359726715 534849083 /nfs/dbraw/zinc/84/90/83/534849083.db2.gz GXLNMQHFFZMLAQ-CVEARBPZSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cccnc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000359726715 534849090 /nfs/dbraw/zinc/84/90/90/534849090.db2.gz GXLNMQHFFZMLAQ-CVEARBPZSA-N 2 1 287.451 3.133 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110230 525618120 /nfs/dbraw/zinc/61/81/20/525618120.db2.gz FBKLEVMJVBQPQD-GLJUWKHASA-N 2 1 272.436 3.309 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110230 525618125 /nfs/dbraw/zinc/61/81/25/525618125.db2.gz FBKLEVMJVBQPQD-GLJUWKHASA-N 2 1 272.436 3.309 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000049508691 527432492 /nfs/dbraw/zinc/43/24/92/527432492.db2.gz ZUXDOQKPIYWWPN-NSHDSACASA-N 2 1 263.772 3.196 20 0 CGADMP C(=C\C[N@H+]1CC[C@@H]2CCC[C@H]21)\C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000426462773 527470344 /nfs/dbraw/zinc/47/03/44/527470344.db2.gz UJUAHRZZFIMFRQ-ASNBQMLHSA-N 2 1 274.452 3.291 20 0 CGADMP C(=C\C[N@@H+]1CC[C@@H]2CCC[C@@H]21)\C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000426462773 527470349 /nfs/dbraw/zinc/47/03/49/527470349.db2.gz UJUAHRZZFIMFRQ-ASNBQMLHSA-N 2 1 274.452 3.291 20 0 CGADMP C(=C\C[N@H+]1CC[C@@H]2CCC[C@@H]21)\C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000426462773 527470353 /nfs/dbraw/zinc/47/03/53/527470353.db2.gz UJUAHRZZFIMFRQ-ASNBQMLHSA-N 2 1 274.452 3.291 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449209054 527966921 /nfs/dbraw/zinc/96/69/21/527966921.db2.gz RQYYNDOWYLFVKQ-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449209054 527966926 /nfs/dbraw/zinc/96/69/26/527966926.db2.gz RQYYNDOWYLFVKQ-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423279306 528165307 /nfs/dbraw/zinc/16/53/07/528165307.db2.gz RFDFJWSZUZPRNW-GUYCJALGSA-N 2 1 276.424 3.109 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CCCC1 ZINC000449109318 528214044 /nfs/dbraw/zinc/21/40/44/528214044.db2.gz XVTZZWPQWPLOCO-KRWDZBQOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccnc2)C(C)C)C1 ZINC000359386607 528254436 /nfs/dbraw/zinc/25/44/36/528254436.db2.gz KUMIYBWLRBKRKV-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000193126174 528261154 /nfs/dbraw/zinc/26/11/54/528261154.db2.gz MDBJXOAXSAVUEY-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CCCc1csc(C[N@@H+]2CCCC23CC[NH+](C)CC3)n1 ZINC000426364177 528660895 /nfs/dbraw/zinc/66/08/95/528660895.db2.gz FUGJVPSBRHDCLY-UHFFFAOYSA-N 2 1 293.480 3.156 20 0 CGADMP CCCc1csc(C[N@H+]2CCCC23CC[NH+](C)CC3)n1 ZINC000426364177 528660901 /nfs/dbraw/zinc/66/09/01/528660901.db2.gz FUGJVPSBRHDCLY-UHFFFAOYSA-N 2 1 293.480 3.156 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C(C)C)CC2)[C@@H](C)C1 ZINC000358381530 528663758 /nfs/dbraw/zinc/66/37/58/528663758.db2.gz MEWUUUCGEVGLCF-DLBZAZTESA-N 2 1 296.499 3.149 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000423441952 528690660 /nfs/dbraw/zinc/69/06/60/528690660.db2.gz BLOPYADAFCNIFB-DZGCQCFKSA-N 2 1 264.413 3.253 20 0 CGADMP CCCc1nc(C)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000428234460 528720240 /nfs/dbraw/zinc/72/02/40/528720240.db2.gz AUCXSKOVDAKFCH-UHFFFAOYSA-N 2 1 288.395 3.038 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2nc(CC)sc21 ZINC000423297799 528822936 /nfs/dbraw/zinc/82/29/36/528822936.db2.gz LXVMSMPTTMJCPA-RYUDHWBXSA-N 2 1 281.469 3.190 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000423295224 528823003 /nfs/dbraw/zinc/82/30/03/528823003.db2.gz DRCZMGPSSXWIPI-GOEBONIOSA-N 2 1 264.413 3.253 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000423289113 528952001 /nfs/dbraw/zinc/95/20/01/528952001.db2.gz WFVNVVLORLVUIY-ZDUSSCGKSA-N 2 1 278.444 3.166 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423298048 528954617 /nfs/dbraw/zinc/95/46/17/528954617.db2.gz MWPYBZRLQPEVIM-IJEWVQPXSA-N 2 1 278.440 3.294 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000423297120 528957409 /nfs/dbraw/zinc/95/74/09/528957409.db2.gz IUVNOSSFKHLVAK-DGCLKSJQSA-N 2 1 286.366 3.456 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423296833 528957765 /nfs/dbraw/zinc/95/77/65/528957765.db2.gz HQJYTWYEHUKYBX-PBHICJAKSA-N 2 1 276.424 3.180 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423297665 528957937 /nfs/dbraw/zinc/95/79/37/528957937.db2.gz LGVRRLLMLPAICA-KBAYOESNSA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423261522 529071925 /nfs/dbraw/zinc/07/19/25/529071925.db2.gz JZMLHQCKRFSASI-ZWNOBZJWSA-N 2 1 274.330 3.339 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cccc(Cl)c1F ZINC000423278469 529171708 /nfs/dbraw/zinc/17/17/08/529171708.db2.gz QYTBAGHOUDCJNX-GXFFZTMASA-N 2 1 272.795 3.375 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cc(Cl)ccc1OC ZINC000423267440 529172039 /nfs/dbraw/zinc/17/20/39/529172039.db2.gz FABZTIARANPJBM-SMDDNHRTSA-N 2 1 284.831 3.245 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(Br)cc1 ZINC000423457044 529173062 /nfs/dbraw/zinc/17/30/62/529173062.db2.gz FEKKFFQKRMNOIA-QWHCGFSZSA-N 2 1 285.229 3.227 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423312884 529178521 /nfs/dbraw/zinc/17/85/21/529178521.db2.gz DYMZQYQYXGKOJL-UONOGXRCSA-N 2 1 252.789 3.118 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@H]2SC)C1 ZINC000425341078 529298785 /nfs/dbraw/zinc/29/87/85/529298785.db2.gz FPPXLFZRQSRCSW-QLFBSQMISA-N 2 1 284.513 3.371 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@H]2SC)C1 ZINC000425341078 529298786 /nfs/dbraw/zinc/29/87/86/529298786.db2.gz FPPXLFZRQSRCSW-QLFBSQMISA-N 2 1 284.513 3.371 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(OC)CCCC2)CC1 ZINC000483171271 535215369 /nfs/dbraw/zinc/21/53/69/535215369.db2.gz HUFRHZDPRPYQHP-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC2CC2)CC1 ZINC000480526675 535216516 /nfs/dbraw/zinc/21/65/16/535216516.db2.gz MMABIYSIVLTMAM-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000459747088 536384571 /nfs/dbraw/zinc/38/45/71/536384571.db2.gz ZTGBZNAFBYRGRO-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccoc1 ZINC000727465886 571748839 /nfs/dbraw/zinc/74/88/39/571748839.db2.gz NZNYDJFYCOPJSJ-UHFFFAOYSA-N 2 1 272.392 3.410 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000045692226 572358117 /nfs/dbraw/zinc/35/81/17/572358117.db2.gz CYVJIKKBIBEUJI-WLYUNCDWSA-N 2 1 278.415 3.392 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473515 572872563 /nfs/dbraw/zinc/87/25/63/572872563.db2.gz URQUSOZIEIRQRJ-WMZOPIPTSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473515 572872566 /nfs/dbraw/zinc/87/25/66/572872566.db2.gz URQUSOZIEIRQRJ-WMZOPIPTSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473515 572872570 /nfs/dbraw/zinc/87/25/70/572872570.db2.gz URQUSOZIEIRQRJ-WMZOPIPTSA-N 2 1 290.451 3.036 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+](C/C(Cl)=C\Cl)C2)CC1 ZINC000799178048 630152969 /nfs/dbraw/zinc/15/29/69/630152969.db2.gz JTYRPXKBQUVVPJ-FMIVXFBMSA-N 2 1 277.239 3.113 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C/C(Cl)=C\Cl)C2)CC1 ZINC000799178048 630152976 /nfs/dbraw/zinc/15/29/76/630152976.db2.gz JTYRPXKBQUVVPJ-FMIVXFBMSA-N 2 1 277.239 3.113 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106397 618533539 /nfs/dbraw/zinc/53/35/39/618533539.db2.gz UWPDSXRGXCIPOQ-QAPCUYQASA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106397 618533547 /nfs/dbraw/zinc/53/35/47/618533547.db2.gz UWPDSXRGXCIPOQ-QAPCUYQASA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106397 618533553 /nfs/dbraw/zinc/53/35/53/618533553.db2.gz UWPDSXRGXCIPOQ-QAPCUYQASA-N 2 1 290.451 3.166 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309654153 618760295 /nfs/dbraw/zinc/76/02/95/618760295.db2.gz AZPQTGISGAJDFR-BPQIPLTHSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(O)cc(F)c1 ZINC000924568495 618849204 /nfs/dbraw/zinc/84/92/04/618849204.db2.gz ACJKRXOECSGTID-LLVKDONJSA-N 2 1 294.414 3.491 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnn1C1CCC1 ZINC000924577102 618869488 /nfs/dbraw/zinc/86/94/88/618869488.db2.gz BAHUETJTCVVKID-OAHLLOKOSA-N 2 1 290.455 3.135 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C(C)(C)C)oc1C ZINC000892759039 618932649 /nfs/dbraw/zinc/93/26/49/618932649.db2.gz RGUZCYUYCCIZHX-UHFFFAOYSA-N 2 1 275.396 3.180 20 0 CGADMP CCC[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926844177 618933172 /nfs/dbraw/zinc/93/31/72/618933172.db2.gz ZBSCEUPPNAJZQV-MGNMYUMUSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000775397884 619073082 /nfs/dbraw/zinc/07/30/82/619073082.db2.gz YDCNFQWEYMCKDM-SJORKVTESA-N 2 1 260.425 3.386 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000925631059 619097680 /nfs/dbraw/zinc/09/76/80/619097680.db2.gz UAKYLSQYONRIRZ-RISCZKNCSA-N 2 1 268.351 3.242 20 0 CGADMP CCC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ncccc1Cl ZINC000925703887 619153572 /nfs/dbraw/zinc/15/35/72/619153572.db2.gz FGSSLHNZOIDVLG-OAHLLOKOSA-N 2 1 293.842 3.428 20 0 CGADMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ncccc1Cl ZINC000925703887 619153573 /nfs/dbraw/zinc/15/35/73/619153573.db2.gz FGSSLHNZOIDVLG-OAHLLOKOSA-N 2 1 293.842 3.428 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000925802295 619254721 /nfs/dbraw/zinc/25/47/21/619254721.db2.gz LESDKSPOIICFGQ-IEAZIUSSSA-N 2 1 258.409 3.101 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)oc1C ZINC000925841972 619291120 /nfs/dbraw/zinc/29/11/20/619291120.db2.gz VLORKMRDBDUPOQ-APHBMKBZSA-N 2 1 262.397 3.079 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)cn1 ZINC000925847095 619293791 /nfs/dbraw/zinc/29/37/91/619293791.db2.gz SMZLVZWEIQMMCO-IXDOHACOSA-N 2 1 291.414 3.040 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C(C(C)C)C(C)C ZINC000924872879 619381885 /nfs/dbraw/zinc/38/18/85/619381885.db2.gz KBBNLZPSEHHHOA-CYBMUJFWSA-N 2 1 251.418 3.098 20 0 CGADMP Cc1ncoc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000894384474 619512954 /nfs/dbraw/zinc/51/29/54/619512954.db2.gz KSRKZMLCLHHOJC-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP Cc1ncoc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000894384474 619512958 /nfs/dbraw/zinc/51/29/58/619512958.db2.gz KSRKZMLCLHHOJC-UHFFFAOYSA-N 2 1 287.407 3.113 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000894455883 619544101 /nfs/dbraw/zinc/54/41/01/619544101.db2.gz MYMLIMPETWDHDL-AWEZNQCLSA-N 2 1 250.430 3.029 20 0 CGADMP COc1ccc(C[N@@H+](C)CCCn2ccnc2C)c(C)c1 ZINC000894477117 619548314 /nfs/dbraw/zinc/54/83/14/619548314.db2.gz YBBQOMMIDUTPCU-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)c1 ZINC000894477117 619548323 /nfs/dbraw/zinc/54/83/23/619548323.db2.gz YBBQOMMIDUTPCU-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)c1 ZINC000894477117 619548340 /nfs/dbraw/zinc/54/83/40/619548340.db2.gz YBBQOMMIDUTPCU-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP Cc1nc2ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc2s1 ZINC000895293007 619798308 /nfs/dbraw/zinc/79/83/08/619798308.db2.gz FKNJCLVRVJHAGI-LLVKDONJSA-N 2 1 277.437 3.035 20 0 CGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000895377697 619816433 /nfs/dbraw/zinc/81/64/33/619816433.db2.gz GJJVEWNOLOBNBO-FRRDWIJNSA-N 2 1 293.282 3.232 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000895670905 619869559 /nfs/dbraw/zinc/86/95/59/619869559.db2.gz IKKAJSJVDJPBDO-UHFFFAOYSA-N 2 1 299.462 3.105 20 0 CGADMP C[C@@H](CN[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000896721055 620049492 /nfs/dbraw/zinc/04/94/92/620049492.db2.gz LUAHQXIRUZZMGV-QFBILLFUSA-N 2 1 297.446 3.468 20 0 CGADMP C[C@@H](C[NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000896721055 620049493 /nfs/dbraw/zinc/04/94/93/620049493.db2.gz LUAHQXIRUZZMGV-QFBILLFUSA-N 2 1 297.446 3.468 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+]CCC(C)(C)C)c1cccnc1 ZINC000896725000 620050237 /nfs/dbraw/zinc/05/02/37/620050237.db2.gz YJOXMTWANFCTDR-HNNXBMFYSA-N 2 1 263.429 3.100 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)CC1(C)C ZINC000898013772 620465885 /nfs/dbraw/zinc/46/58/85/620465885.db2.gz HWTZRKWLOZGNQE-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP Cc1cccc2c1[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000924647408 620555140 /nfs/dbraw/zinc/55/51/40/620555140.db2.gz JLPFMPWIAKYSBI-YOEHRIQHSA-N 2 1 270.420 3.056 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000924687780 620562865 /nfs/dbraw/zinc/56/28/65/620562865.db2.gz PQMWMDPYAGXGQU-LSDHHAIUSA-N 2 1 291.439 3.092 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1(Cl)CC1 ZINC000924689032 620563586 /nfs/dbraw/zinc/56/35/86/620563586.db2.gz WFVZUNRMMFWOGY-UONOGXRCSA-N 2 1 272.864 3.391 20 0 CGADMP CCNc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000902078570 621128224 /nfs/dbraw/zinc/12/82/24/621128224.db2.gz OBRQBVHBFXQGJQ-UHFFFAOYSA-N 2 1 289.467 3.471 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2COc3c2cccc3Cl)C1 ZINC000902352316 621285591 /nfs/dbraw/zinc/28/55/91/621285591.db2.gz KNTWWQOKKYXKGX-RISCZKNCSA-N 2 1 294.826 3.141 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000902407048 621292603 /nfs/dbraw/zinc/29/26/03/621292603.db2.gz ONIUHKZOBWFMQS-OCCSQVGLSA-N 2 1 298.352 3.422 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000902412542 621297775 /nfs/dbraw/zinc/29/77/75/621297775.db2.gz CSDCGDXSXLVVOZ-LBPRGKRZSA-N 2 1 282.840 3.348 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000902415751 621308625 /nfs/dbraw/zinc/30/86/25/621308625.db2.gz QAJAAFFOGARAPB-QMMMGPOBSA-N 2 1 259.180 3.135 20 0 CGADMP COc1c(Cl)cccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902429527 621314238 /nfs/dbraw/zinc/31/42/38/621314238.db2.gz MLEVISGPIRDGAA-ZDUSSCGKSA-N 2 1 296.842 3.216 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H]1c1ccccc1 ZINC000902475321 621325870 /nfs/dbraw/zinc/32/58/70/621325870.db2.gz IIVABZXCWNUFNY-DRRXZNNHSA-N 2 1 270.420 3.051 20 0 CGADMP CNc1ccccc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000902478729 621327694 /nfs/dbraw/zinc/32/76/94/621327694.db2.gz WMWWPVJAJUGTSP-OAHLLOKOSA-N 2 1 275.440 3.082 20 0 CGADMP C[C@@H]([NH2+]CCC1CCC(F)(F)CC1)c1c[nH+]ccc1N ZINC000902454546 621333201 /nfs/dbraw/zinc/33/32/01/621333201.db2.gz GUYNAWZOSIIIJG-LLVKDONJSA-N 2 1 283.366 3.360 20 0 CGADMP Clc1ccccc1C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902460284 621335895 /nfs/dbraw/zinc/33/58/95/621335895.db2.gz GHSIXXRALXVLGS-PQEBFOHHSA-N 2 1 290.838 3.144 20 0 CGADMP CC1(C)[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H]1c1ccccc1 ZINC000902470983 621341615 /nfs/dbraw/zinc/34/16/15/621341615.db2.gz IIVABZXCWNUFNY-SIRPWMCASA-N 2 1 270.420 3.051 20 0 CGADMP C1=CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903078267 621559859 /nfs/dbraw/zinc/55/98/59/621559859.db2.gz FBGBMCWPVOBDIV-YTTRVJOFSA-N 2 1 260.425 3.090 20 0 CGADMP Cc1cccc(F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903102708 621575633 /nfs/dbraw/zinc/57/56/33/621575633.db2.gz BCNYFSWMAGQHBS-VHRNVKJDSA-N 2 1 288.410 3.382 20 0 CGADMP Cc1cccc(F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903102708 621575640 /nfs/dbraw/zinc/57/56/40/621575640.db2.gz BCNYFSWMAGQHBS-VHRNVKJDSA-N 2 1 288.410 3.382 20 0 CGADMP CS[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903103340 621575973 /nfs/dbraw/zinc/57/59/73/621575973.db2.gz HBMBLOXAYGGRSQ-UJHCDMDASA-N 2 1 280.481 3.018 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903154048 621600608 /nfs/dbraw/zinc/60/06/08/621600608.db2.gz VXKKCYMEMGZHOV-IICXIOTHSA-N 2 1 262.441 3.313 20 0 CGADMP C1=C[C@@H](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903217239 621632865 /nfs/dbraw/zinc/63/28/65/621632865.db2.gz SAALVVXUNMAMTO-DUZACMNTSA-N 2 1 274.452 3.480 20 0 CGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CC1(C)C ZINC000903379766 621722074 /nfs/dbraw/zinc/72/20/74/621722074.db2.gz ILKCKCCPQYJNHW-BPUTZDHNSA-N 2 1 275.440 3.099 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC000903431809 621744598 /nfs/dbraw/zinc/74/45/98/621744598.db2.gz XSOGUSALYKJHET-MAZHCROVSA-N 2 1 262.372 3.090 20 0 CGADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439570 621747920 /nfs/dbraw/zinc/74/79/20/621747920.db2.gz KWUVMNZQMLXNOI-NCOADZHNSA-N 2 1 272.436 3.300 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439571 621749163 /nfs/dbraw/zinc/74/91/63/621749163.db2.gz KWUVMNZQMLXNOI-VQHPVUNQSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903421580 621749967 /nfs/dbraw/zinc/74/99/67/621749967.db2.gz VUHYTTGRTNWDDP-YJBOKZPZSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903455974 621762348 /nfs/dbraw/zinc/76/23/48/621762348.db2.gz APHBNRBMAXQBEK-CVEARBPZSA-N 2 1 276.424 3.033 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C1CCCCC1 ZINC000903454950 621763148 /nfs/dbraw/zinc/76/31/48/621763148.db2.gz OQPNYJQTYFQOMM-KRWDZBQOSA-N 2 1 271.408 3.165 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000903481946 621764937 /nfs/dbraw/zinc/76/49/37/621764937.db2.gz RLFCGGQQWIEIOE-HDEZJCGLSA-N 2 1 258.409 3.197 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903728924 621796926 /nfs/dbraw/zinc/79/69/26/621796926.db2.gz HRROKXJDUCIUPD-YQQAZPJKSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732624 621797699 /nfs/dbraw/zinc/79/76/99/621797699.db2.gz HAWFRDGMLIXXHY-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1cc(F)ccc1F ZINC000903760183 621802355 /nfs/dbraw/zinc/80/23/55/621802355.db2.gz VXNQGTSPWQZALO-LRDDRELGSA-N 2 1 282.378 3.395 20 0 CGADMP CCc1onc(C)c1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810313 621813509 /nfs/dbraw/zinc/81/35/09/621813509.db2.gz AQLMBNRVNUHHFZ-MRXNPFEDSA-N 2 1 291.439 3.029 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCC1 ZINC000903813279 621814462 /nfs/dbraw/zinc/81/44/62/621814462.db2.gz ZPFMPFYRJYNNHI-LXTVHRRPSA-N 2 1 298.421 3.261 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000903841903 621819269 /nfs/dbraw/zinc/81/92/69/621819269.db2.gz HZFJFCCMSDYQMT-YWDSYVAPSA-N 2 1 276.811 3.139 20 0 CGADMP CCC1(CC)C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000903914948 621827317 /nfs/dbraw/zinc/82/73/17/621827317.db2.gz MMCHEUOBRXJMPN-GOOCMWNKSA-N 2 1 282.497 3.125 20 0 CGADMP Cc1nc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000903908495 621832020 /nfs/dbraw/zinc/83/20/20/621832020.db2.gz JXOKZOWGMLZQAY-NQKGRLOXSA-N 2 1 291.464 3.119 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC(F)F)cc1 ZINC000903923502 621833643 /nfs/dbraw/zinc/83/36/43/621833643.db2.gz VTXGEQDLXLNNNV-ZYHUDNBSSA-N 2 1 288.407 3.432 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929646 621834148 /nfs/dbraw/zinc/83/41/48/621834148.db2.gz IJWQPKVGHYUCOS-ZVRJUHEZSA-N 2 1 290.426 3.219 20 0 CGADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903932193 621834968 /nfs/dbraw/zinc/83/49/68/621834968.db2.gz OBXDWLXRBFEEEA-JHJVBQTASA-N 2 1 274.399 3.117 20 0 CGADMP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903917006 621836059 /nfs/dbraw/zinc/83/60/59/621836059.db2.gz JJHCWJFVJRKUPJ-CQSZACIVSA-N 2 1 270.420 3.097 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC[NH2+]1 ZINC000903953397 621842476 /nfs/dbraw/zinc/84/24/76/621842476.db2.gz FEWHDVGSDUQTAS-RFGFWPKPSA-N 2 1 290.373 3.039 20 0 CGADMP CCCC1CCC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903973989 621844303 /nfs/dbraw/zinc/84/43/03/621844303.db2.gz RLHPSAIPCKYRQS-OFLPRAFFSA-N 2 1 294.483 3.094 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000904340185 621909894 /nfs/dbraw/zinc/90/98/94/621909894.db2.gz GABKXAVAKBXZEY-HNNXBMFYSA-N 2 1 282.472 3.033 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCCC2(CCOCC2)C1 ZINC000904340185 621909899 /nfs/dbraw/zinc/90/98/99/621909899.db2.gz GABKXAVAKBXZEY-HNNXBMFYSA-N 2 1 282.472 3.033 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904376261 621916292 /nfs/dbraw/zinc/91/62/92/621916292.db2.gz NOETVMAGXSADJY-KOLCDFICSA-N 2 1 272.314 3.075 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904376261 621916296 /nfs/dbraw/zinc/91/62/96/621916296.db2.gz NOETVMAGXSADJY-KOLCDFICSA-N 2 1 272.314 3.075 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)ccc2c1 ZINC000904411822 621919475 /nfs/dbraw/zinc/91/94/75/621919475.db2.gz NQZCQZYIMBTQBZ-KDOFPFPSSA-N 2 1 298.430 3.265 20 0 CGADMP CSC(C)(C)CC[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000877020496 634952807 /nfs/dbraw/zinc/95/28/07/634952807.db2.gz VRZCQCGAVOLUFS-CQSZACIVSA-N 2 1 272.502 3.228 20 0 CGADMP C[NH+](C)CCC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000019958315 634411365 /nfs/dbraw/zinc/41/13/65/634411365.db2.gz JGDRZSDIMJEAAU-UHFFFAOYSA-N 2 1 292.370 3.340 20 0 CGADMP CC(C)(C)c1coc(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000922147247 625973124 /nfs/dbraw/zinc/97/31/24/625973124.db2.gz PGLSIYQBNPFIJS-UHFFFAOYSA-N 2 1 293.455 3.328 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000922169956 625978323 /nfs/dbraw/zinc/97/83/23/625978323.db2.gz AYHIEXDGAXKYAS-UKRRQHHQSA-N 2 1 270.486 3.125 20 0 CGADMP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCS2 ZINC000922840912 626055208 /nfs/dbraw/zinc/05/52/08/626055208.db2.gz UIFYMFHEQYKKCS-QLFBSQMISA-N 2 1 280.481 3.021 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480739 626156813 /nfs/dbraw/zinc/15/68/13/626156813.db2.gz BWYJXOHRYAGQCS-XHDPSFHLSA-N 2 1 268.351 3.087 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CC[C@H]1C[NH3+] ZINC000923495752 626157967 /nfs/dbraw/zinc/15/79/67/626157967.db2.gz XBZGOQGTUQQGST-IFIJOSMWSA-N 2 1 276.399 3.120 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923496887 626158496 /nfs/dbraw/zinc/15/84/96/626158496.db2.gz CFJGGVHVBZVTML-BXUZGUMPSA-N 2 1 268.351 3.041 20 0 CGADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)co2)cc1 ZINC000923496726 626158693 /nfs/dbraw/zinc/15/86/93/626158693.db2.gz CLAPIYHZOJWXIP-GDBMZVCRSA-N 2 1 299.418 3.067 20 0 CGADMP Fc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166199530 626171426 /nfs/dbraw/zinc/17/14/26/626171426.db2.gz HRJPMFOVOPRUHX-DLBZAZTESA-N 2 1 288.410 3.074 20 0 CGADMP COc1cc(C)c([C@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1C ZINC000753674782 626461865 /nfs/dbraw/zinc/46/18/65/626461865.db2.gz PXGPRLKVQDBYIT-BBRMVZONSA-N 2 1 290.451 3.304 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000765472053 627251402 /nfs/dbraw/zinc/25/14/02/627251402.db2.gz JTDLNZSZXVPBQT-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP COc1ccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c2c1 ZINC000765467189 627251645 /nfs/dbraw/zinc/25/16/45/627251645.db2.gz DDIZOVQEGGLZAI-ZIAGYGMSSA-N 2 1 297.402 3.282 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000765758587 627269380 /nfs/dbraw/zinc/26/93/80/627269380.db2.gz NLYMXJDPZAYKCH-KDOFPFPSSA-N 2 1 283.419 3.413 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000765773878 627269892 /nfs/dbraw/zinc/26/98/92/627269892.db2.gz ANIRMRXODHRLFR-MSOLQXFVSA-N 3 1 295.515 3.105 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CCN1C ZINC000765773878 627269895 /nfs/dbraw/zinc/26/98/95/627269895.db2.gz ANIRMRXODHRLFR-MSOLQXFVSA-N 2 1 295.515 3.105 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000768168476 627464866 /nfs/dbraw/zinc/46/48/66/627464866.db2.gz IQKAKSMOKLATIS-UHFFFAOYSA-N 2 1 272.392 3.282 20 0 CGADMP Cc1ncsc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769320799 627541010 /nfs/dbraw/zinc/54/10/10/627541010.db2.gz XMYSDCNIXOPSLG-UHFFFAOYSA-N 2 1 289.448 3.145 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC3)C[C@@H]1C ZINC000769470281 627557385 /nfs/dbraw/zinc/55/73/85/627557385.db2.gz KIFAUXATVVMEFV-KBXCAEBGSA-N 2 1 288.435 3.021 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC3)C[C@@H]1C ZINC000769470281 627557388 /nfs/dbraw/zinc/55/73/88/627557388.db2.gz KIFAUXATVVMEFV-KBXCAEBGSA-N 2 1 288.435 3.021 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)COC3)C[C@@H]1C ZINC000769470281 627557391 /nfs/dbraw/zinc/55/73/91/627557391.db2.gz KIFAUXATVVMEFV-KBXCAEBGSA-N 2 1 288.435 3.021 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)COC3)C[C@@H]1C ZINC000769470281 627557394 /nfs/dbraw/zinc/55/73/94/627557394.db2.gz KIFAUXATVVMEFV-KBXCAEBGSA-N 2 1 288.435 3.021 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC000771932518 627746539 /nfs/dbraw/zinc/74/65/39/627746539.db2.gz XSNVKSGGWRSCSE-UHFFFAOYSA-N 2 1 298.430 3.259 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623458 628115053 /nfs/dbraw/zinc/11/50/53/628115053.db2.gz QOFSBHOOMREHFF-KBPBESRZSA-N 2 1 283.419 3.303 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620501 628289009 /nfs/dbraw/zinc/28/90/09/628289009.db2.gz QZAJLXQIKDLSBN-PBHICJAKSA-N 2 1 278.415 3.318 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620501 628289015 /nfs/dbraw/zinc/28/90/15/628289015.db2.gz QZAJLXQIKDLSBN-PBHICJAKSA-N 2 1 278.415 3.318 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620501 628289017 /nfs/dbraw/zinc/28/90/17/628289017.db2.gz QZAJLXQIKDLSBN-PBHICJAKSA-N 2 1 278.415 3.318 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000779079392 628387375 /nfs/dbraw/zinc/38/73/75/628387375.db2.gz QNSAFJDDJFVHSR-JEYLPNPQSA-N 2 1 290.455 3.166 20 0 CGADMP C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783222536 628688018 /nfs/dbraw/zinc/68/80/18/628688018.db2.gz MKFMHARMMSUTFD-XGUBFFRZSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783222536 628688020 /nfs/dbraw/zinc/68/80/20/628688020.db2.gz MKFMHARMMSUTFD-XGUBFFRZSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)c1 ZINC000788479262 629057823 /nfs/dbraw/zinc/05/78/23/629057823.db2.gz PBXZTHQWVFIHFU-SFHVURJKSA-N 2 1 272.436 3.474 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000788482543 629057986 /nfs/dbraw/zinc/05/79/86/629057986.db2.gz WTQBLYCAJVCFIB-IBGZPJMESA-N 2 1 286.463 3.382 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccnc(F)c1C ZINC000862262148 629333837 /nfs/dbraw/zinc/33/38/37/629333837.db2.gz UBVNCZRMYBDCAB-UHFFFAOYSA-N 2 1 281.419 3.131 20 0 CGADMP COc1ccc([C@@H]2CC[N@@H+](CCCCCC[NH3+])C2)cc1F ZINC000863571419 629606369 /nfs/dbraw/zinc/60/63/69/629606369.db2.gz YBVGXKNVGQYYIB-OAHLLOKOSA-N 2 1 294.414 3.143 20 0 CGADMP C[C@H](C[NH2+]Cc1cnc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000865419735 630114079 /nfs/dbraw/zinc/11/40/79/630114079.db2.gz YYKWKASIQREZTR-GFCCVEGCSA-N 2 1 299.821 3.086 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798957166 630128446 /nfs/dbraw/zinc/12/84/46/630128446.db2.gz XEKBLADIMHDMBB-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000865476147 630141660 /nfs/dbraw/zinc/14/16/60/630141660.db2.gz UQTDRJMDTDGKKK-BXUZGUMPSA-N 2 1 266.816 3.221 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCCc3ccsc3)C2)CC1 ZINC000799179133 630153275 /nfs/dbraw/zinc/15/32/75/630153275.db2.gz CZZSFANSFOUNTM-UHFFFAOYSA-N 2 1 292.492 3.489 20 0 CGADMP CC(C)(C)SCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000801923226 630367301 /nfs/dbraw/zinc/36/73/01/630367301.db2.gz BMBWCJIDZCMHLC-OAHLLOKOSA-N 2 1 284.513 3.326 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC(C)(C)C)C[C@@H]1C ZINC000801925017 630367656 /nfs/dbraw/zinc/36/76/56/630367656.db2.gz YHWNKUSEENYDGR-KBPBESRZSA-N 2 1 272.502 3.323 20 0 CGADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000806127984 630545366 /nfs/dbraw/zinc/54/53/66/630545366.db2.gz LOMLUTMTOOVZLM-AWEZNQCLSA-N 2 1 293.842 3.188 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000815632798 631809893 /nfs/dbraw/zinc/80/98/93/631809893.db2.gz YKTOCBBVMNHAJI-NGEFAJANSA-N 2 1 250.430 3.170 20 0 CGADMP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1Cl ZINC000817958642 632253679 /nfs/dbraw/zinc/25/36/79/632253679.db2.gz KZTHBZMKUITESX-BXUZGUMPSA-N 2 1 284.831 3.291 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1Cl ZINC000817959966 632256390 /nfs/dbraw/zinc/25/63/90/632256390.db2.gz IZHDUIZQZSSBTE-IINYFYTJSA-N 2 1 282.815 3.045 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000817964053 632258863 /nfs/dbraw/zinc/25/88/63/632258863.db2.gz XTLCUWQGUXWIFO-CAOSSQGBSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)nc1 ZINC000817984843 632274269 /nfs/dbraw/zinc/27/42/69/632274269.db2.gz ATCGWJAIPFIJPO-DGCLKSJQSA-N 2 1 279.815 3.060 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000818335741 632308666 /nfs/dbraw/zinc/30/86/66/632308666.db2.gz ZWJDJHCTBLAJCZ-RWMBFGLXSA-N 2 1 291.266 3.034 20 0 CGADMP C([NH2+]C1CCSCC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865805047 632894913 /nfs/dbraw/zinc/89/49/13/632894913.db2.gz OZAVENJBMPWEEA-MRXNPFEDSA-N 2 1 282.497 3.269 20 0 CGADMP C([NH2+]C1CCSCC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000865805047 632894915 /nfs/dbraw/zinc/89/49/15/632894915.db2.gz OZAVENJBMPWEEA-MRXNPFEDSA-N 2 1 282.497 3.269 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000866214341 633031585 /nfs/dbraw/zinc/03/15/85/633031585.db2.gz NGADHAKFRYQZIC-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC000866240452 633040444 /nfs/dbraw/zinc/04/04/44/633040444.db2.gz FSLHQSKJUTXZSO-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC000866240452 633040448 /nfs/dbraw/zinc/04/04/48/633040448.db2.gz FSLHQSKJUTXZSO-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866261865 633049729 /nfs/dbraw/zinc/04/97/29/633049729.db2.gz XYFVYUJLQBZBTJ-NJAFHUGGSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(F)cccc32)C1 ZINC000866262847 633049777 /nfs/dbraw/zinc/04/97/77/633049777.db2.gz HKAJPKLJSQTWPX-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccn1 ZINC000866282140 633064583 /nfs/dbraw/zinc/06/45/83/633064583.db2.gz MIHICFQUZVRAMM-VYDXJSESSA-N 2 1 275.440 3.241 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000866397668 633122232 /nfs/dbraw/zinc/12/22/32/633122232.db2.gz IOTBOCDNQIUDFE-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000866397668 633122236 /nfs/dbraw/zinc/12/22/36/633122236.db2.gz IOTBOCDNQIUDFE-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866450998 633140643 /nfs/dbraw/zinc/14/06/43/633140643.db2.gz CMTLROCOIBTMLD-OTBWCIGPSA-N 2 1 296.499 3.433 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)C[C@H]1C[NH3+] ZINC000866673926 633229996 /nfs/dbraw/zinc/22/99/96/633229996.db2.gz MIZDTRHHUSUXAJ-ZYHUDNBSSA-N 2 1 286.391 3.028 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000866710327 633235599 /nfs/dbraw/zinc/23/55/99/633235599.db2.gz YLXBNIRDMWWFJI-TZMCWYRMSA-N 2 1 274.399 3.119 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000866708292 633236115 /nfs/dbraw/zinc/23/61/15/633236115.db2.gz MHHKMOXOFJRNMY-MRXNPFEDSA-N 2 1 296.842 3.243 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000866708292 633236120 /nfs/dbraw/zinc/23/61/20/633236120.db2.gz MHHKMOXOFJRNMY-MRXNPFEDSA-N 2 1 296.842 3.243 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827969687 633542882 /nfs/dbraw/zinc/54/28/82/633542882.db2.gz UOOUGPQKZSNFGA-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827969687 633542883 /nfs/dbraw/zinc/54/28/83/633542883.db2.gz UOOUGPQKZSNFGA-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827969687 633542887 /nfs/dbraw/zinc/54/28/87/633542887.db2.gz UOOUGPQKZSNFGA-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827969687 633542889 /nfs/dbraw/zinc/54/28/89/633542889.db2.gz UOOUGPQKZSNFGA-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc3C2)CC1 ZINC000872018672 633939997 /nfs/dbraw/zinc/93/99/97/633939997.db2.gz OHAJCIZHBZCXPT-GOSISDBHSA-N 2 1 272.436 3.008 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCCOC1 ZINC000872023273 633943599 /nfs/dbraw/zinc/94/35/99/633943599.db2.gz DVNCFPXDCHEIDE-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCCOC1 ZINC000872023273 633943603 /nfs/dbraw/zinc/94/36/03/633943603.db2.gz DVNCFPXDCHEIDE-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C1CC1 ZINC000872079472 634002589 /nfs/dbraw/zinc/00/25/89/634002589.db2.gz YTTAWRXEQCWWES-GDBMZVCRSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)CC[N@H+]1C ZINC000846211342 636159262 /nfs/dbraw/zinc/15/92/62/636159262.db2.gz BFKBFJZXNNKWPI-UTUOFQBUSA-N 2 1 279.255 3.033 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846218581 636161101 /nfs/dbraw/zinc/16/11/01/636161101.db2.gz ZDHADMAJQZVUDZ-KRWDZBQOSA-N 2 1 276.424 3.351 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1C(F)(F)F ZINC000872152212 634065673 /nfs/dbraw/zinc/06/56/73/634065673.db2.gz PEXWKSMWGNSJBH-YPMHNXCESA-N 2 1 298.308 3.002 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1C(F)(F)F ZINC000872152212 634065677 /nfs/dbraw/zinc/06/56/77/634065677.db2.gz PEXWKSMWGNSJBH-YPMHNXCESA-N 2 1 298.308 3.002 20 0 CGADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000872157413 634068112 /nfs/dbraw/zinc/06/81/12/634068112.db2.gz OLJUWLIKHGUDIE-XYVMCAHJSA-N 2 1 294.483 3.031 20 0 CGADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)C1 ZINC000872157404 634068161 /nfs/dbraw/zinc/06/81/61/634068161.db2.gz OLJUWLIKHGUDIE-LMSBXDPUSA-N 2 1 294.483 3.031 20 0 CGADMP C[N@H+]1CCCC12CCN(c1cc[nH+]cc1C1CC1)CC2 ZINC000872499743 634157530 /nfs/dbraw/zinc/15/75/30/634157530.db2.gz IXBFFGOLLDKZCM-UHFFFAOYSA-N 2 1 271.408 3.024 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000834523212 634175803 /nfs/dbraw/zinc/17/58/03/634175803.db2.gz QKRAVLLANYBSJF-ZDUSSCGKSA-N 2 1 286.423 3.490 20 0 CGADMP C[N@H+]1CC[C@@H](NCc2ccc(O)c(Cl)c2)CC1(C)C ZINC000873179859 634273227 /nfs/dbraw/zinc/27/32/27/634273227.db2.gz QFTSAWBZDDEOHS-GFCCVEGCSA-N 2 1 282.815 3.008 20 0 CGADMP CCSCC[C@@H](C)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208557 634286454 /nfs/dbraw/zinc/28/64/54/634286454.db2.gz WTKFKMWLWGAIAM-GFCCVEGCSA-N 2 1 298.521 3.357 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1Cl ZINC000873244739 634297707 /nfs/dbraw/zinc/29/77/07/634297707.db2.gz JKIBKQZNAXKOKH-RYUDHWBXSA-N 2 1 281.831 3.164 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC000876731791 634887913 /nfs/dbraw/zinc/88/79/13/634887913.db2.gz UZWPYUMPVYZRHS-MRXNPFEDSA-N 2 1 290.451 3.247 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC000876731791 634887915 /nfs/dbraw/zinc/88/79/15/634887915.db2.gz UZWPYUMPVYZRHS-MRXNPFEDSA-N 2 1 290.451 3.247 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000876925140 634929727 /nfs/dbraw/zinc/92/97/27/634929727.db2.gz VFTISHFBVFLURX-FUHWJXTLSA-N 2 1 270.420 3.354 20 0 CGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000876925140 634929729 /nfs/dbraw/zinc/92/97/29/634929729.db2.gz VFTISHFBVFLURX-FUHWJXTLSA-N 2 1 270.420 3.354 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000876925139 634929997 /nfs/dbraw/zinc/92/99/97/634929997.db2.gz VFTISHFBVFLURX-AEFFLSMTSA-N 2 1 270.420 3.354 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000876925139 634930003 /nfs/dbraw/zinc/93/00/03/634930003.db2.gz VFTISHFBVFLURX-AEFFLSMTSA-N 2 1 270.420 3.354 20 0 CGADMP C[C@H]1C[C@H](NCc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000877070856 634971440 /nfs/dbraw/zinc/97/14/40/634971440.db2.gz XGKZLLGPTYZYOU-WDEREUQCSA-N 2 1 293.798 3.054 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CCN1C ZINC000877070856 634971445 /nfs/dbraw/zinc/97/14/45/634971445.db2.gz XGKZLLGPTYZYOU-WDEREUQCSA-N 2 1 293.798 3.054 20 0 CGADMP C[C@@H]1C[C@@H](NCc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000877070854 634971657 /nfs/dbraw/zinc/97/16/57/634971657.db2.gz XGKZLLGPTYZYOU-MNOVXSKESA-N 2 1 293.798 3.054 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CCN1C ZINC000877070854 634971663 /nfs/dbraw/zinc/97/16/63/634971663.db2.gz XGKZLLGPTYZYOU-MNOVXSKESA-N 2 1 293.798 3.054 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000841029554 635109467 /nfs/dbraw/zinc/10/94/67/635109467.db2.gz WEZNYOURTZDDBS-GFCCVEGCSA-N 2 1 290.354 3.125 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841087476 635119803 /nfs/dbraw/zinc/11/98/03/635119803.db2.gz OFOZKAGJPBCRTR-QFBILLFUSA-N 2 1 295.430 3.199 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878047474 635336005 /nfs/dbraw/zinc/33/60/05/635336005.db2.gz HQYFNAQZSRWIPB-QGZVFWFLSA-N 2 1 296.499 3.244 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCC2CC2)CC1 ZINC000878048690 635337349 /nfs/dbraw/zinc/33/73/49/635337349.db2.gz VONJCMVFNUBJTI-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000878162732 635387661 /nfs/dbraw/zinc/38/76/61/635387661.db2.gz IWNRLPXZXWVDCX-OAGGEKHMSA-N 2 1 296.499 3.385 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000878162732 635387668 /nfs/dbraw/zinc/38/76/68/635387668.db2.gz IWNRLPXZXWVDCX-OAGGEKHMSA-N 2 1 296.499 3.385 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000878162732 635387678 /nfs/dbraw/zinc/38/76/78/635387678.db2.gz IWNRLPXZXWVDCX-OAGGEKHMSA-N 2 1 296.499 3.385 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878513063 635537548 /nfs/dbraw/zinc/53/75/48/635537548.db2.gz UEWXJMHJGYDFEW-ZIAGYGMSSA-N 2 1 274.399 3.228 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C/c1ccccc1 ZINC000843053971 635551410 /nfs/dbraw/zinc/55/14/10/635551410.db2.gz NYSDAYJBRBSIHU-ULWIPEINSA-N 2 1 256.393 3.044 20 0 CGADMP COc1cccc2cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)oc21 ZINC000843055959 635553016 /nfs/dbraw/zinc/55/30/16/635553016.db2.gz AXIHCUWVZSCMIR-HNNXBMFYSA-N 2 1 290.407 3.247 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)OC1CCCCCC1 ZINC000843362515 635653485 /nfs/dbraw/zinc/65/34/85/635653485.db2.gz AWHKCVNKFYCLIV-AEFFLSMTSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)C[N@@H+](C/C=C/Cl)CC1CC[NH+](C)CC1 ZINC000879702511 635839025 /nfs/dbraw/zinc/83/90/25/635839025.db2.gz NOIVMQMUGJVKTD-QPJJXVBHSA-N 2 1 258.837 3.039 20 0 CGADMP C[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000880002827 635895433 /nfs/dbraw/zinc/89/54/33/635895433.db2.gz RPPVJLYRUPSKMY-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000880002827 635895438 /nfs/dbraw/zinc/89/54/38/635895438.db2.gz RPPVJLYRUPSKMY-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP FC[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](CF)C2)C1 ZINC000880236146 635947372 /nfs/dbraw/zinc/94/73/72/635947372.db2.gz WISFDBNPFRWLEL-HOTGVXAUSA-N 2 1 288.426 3.130 20 0 CGADMP Cc1cnc(C[N@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000880517242 636013159 /nfs/dbraw/zinc/01/31/59/636013159.db2.gz MYUZARYWWRTZQB-UHFFFAOYSA-N 2 1 281.469 3.149 20 0 CGADMP Cc1cnc(C[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000880517242 636013162 /nfs/dbraw/zinc/01/31/62/636013162.db2.gz MYUZARYWWRTZQB-UHFFFAOYSA-N 2 1 281.469 3.149 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@@H]1CCCOC1)C1CCCCC1 ZINC000846022071 636130391 /nfs/dbraw/zinc/13/03/91/636130391.db2.gz IPLUQFNASAITNJ-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218019 636161068 /nfs/dbraw/zinc/16/10/68/636161068.db2.gz KIUKBZFXLGFVSI-CQSZACIVSA-N 2 1 258.475 3.113 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCCN(c2ccccc2)C1 ZINC000846220293 636163134 /nfs/dbraw/zinc/16/31/34/636163134.db2.gz NTZKFBIXRGPIAP-GOSISDBHSA-N 2 1 289.467 3.106 20 0 CGADMP CCc1ccc([C@H]2C[N@@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000846221512 636163142 /nfs/dbraw/zinc/16/31/42/636163142.db2.gz ZKBPIUSLYJPTEJ-GOSISDBHSA-N 2 1 290.451 3.141 20 0 CGADMP CC1([NH+]2CCC2)CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000882963408 636481664 /nfs/dbraw/zinc/48/16/64/636481664.db2.gz YEMZDQHDQLWAOG-UHFFFAOYSA-N 2 1 287.432 3.361 20 0 CGADMP Clc1ccc2sc(C[NH2+]CCC[NH+]3CCC3)cc2n1 ZINC000883079374 636531283 /nfs/dbraw/zinc/53/12/83/636531283.db2.gz RGHTUPNXPNMWDK-UHFFFAOYSA-N 2 1 295.839 3.135 20 0 CGADMP CC(C)c1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000848528342 636589981 /nfs/dbraw/zinc/58/99/81/636589981.db2.gz KWUMCQVKHJXMDT-OAHLLOKOSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883246720 636615071 /nfs/dbraw/zinc/61/50/71/636615071.db2.gz PEYDLCLTCBPUTM-LNLFQRSKSA-N 2 1 284.447 3.453 20 0 CGADMP CCc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC2(C)C)cc1 ZINC000849039466 636727675 /nfs/dbraw/zinc/72/76/75/636727675.db2.gz ZXNUPSKZBQBOHO-UHFFFAOYSA-N 2 1 288.439 3.060 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC000883418628 636749558 /nfs/dbraw/zinc/74/95/58/636749558.db2.gz NSKHGVIMANOTSB-QWHCGFSZSA-N 2 1 262.388 3.117 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000883430104 636753214 /nfs/dbraw/zinc/75/32/14/636753214.db2.gz NHHJYZNWBPMCCW-ZIAGYGMSSA-N 2 1 274.399 3.309 20 0 CGADMP C[C@@H]1CC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)C1 ZINC000850355301 637025411 /nfs/dbraw/zinc/02/54/11/637025411.db2.gz DQAICGABHUMDJN-STQMWFEESA-N 2 1 295.496 3.367 20 0 CGADMP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850421463 637054953 /nfs/dbraw/zinc/05/49/53/637054953.db2.gz VXWUSLBHFJREOI-RHSMWYFYSA-N 2 1 288.435 3.147 20 0 CGADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850421463 637054957 /nfs/dbraw/zinc/05/49/57/637054957.db2.gz VXWUSLBHFJREOI-RHSMWYFYSA-N 2 1 288.435 3.147 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C\c1cccc(F)c1)C1CC1 ZINC000886138574 637431899 /nfs/dbraw/zinc/43/18/99/637431899.db2.gz NSXZGOAYPUWINE-ALCCZGGFSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000886540861 637565060 /nfs/dbraw/zinc/56/50/60/637565060.db2.gz LXKOOVVPVFGOIB-MAUKXSAKSA-N 2 1 283.419 3.436 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000886540861 637565073 /nfs/dbraw/zinc/56/50/73/637565073.db2.gz LXKOOVVPVFGOIB-MAUKXSAKSA-N 2 1 283.419 3.436 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CCc3cccnc32)C1 ZINC000886553156 637578355 /nfs/dbraw/zinc/57/83/55/637578355.db2.gz FKBSBJOVPLFILR-DOTOQJQBSA-N 2 1 287.451 3.027 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886553156 637578361 /nfs/dbraw/zinc/57/83/61/637578361.db2.gz FKBSBJOVPLFILR-DOTOQJQBSA-N 2 1 287.451 3.027 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886553156 637578368 /nfs/dbraw/zinc/57/83/68/637578368.db2.gz FKBSBJOVPLFILR-DOTOQJQBSA-N 2 1 287.451 3.027 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3cc(C)ccn3)CC2)[nH+]c1C ZINC000886662983 637639532 /nfs/dbraw/zinc/63/95/32/637639532.db2.gz QRTWEMPQSZBQNB-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP Cc1ncsc1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886660781 637639776 /nfs/dbraw/zinc/63/97/76/637639776.db2.gz FYLYSPFDDPSGGI-UHFFFAOYSA-N 2 1 290.436 3.171 20 0 CGADMP COCCCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886666043 637640876 /nfs/dbraw/zinc/64/08/76/637640876.db2.gz LJBKXYADLQPNJZ-UHFFFAOYSA-N 2 1 279.428 3.023 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H]1CCc2ccccc21 ZINC000852746855 637705319 /nfs/dbraw/zinc/70/53/19/637705319.db2.gz RXENOIGOEJYXIL-OOKSDGMUSA-N 2 1 284.447 3.451 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873914 637715028 /nfs/dbraw/zinc/71/50/28/637715028.db2.gz BERFJACXAGBVSE-HIFRSBDPSA-N 2 1 274.399 3.133 20 0 CGADMP CCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(C)o1 ZINC000886882375 637717175 /nfs/dbraw/zinc/71/71/75/637717175.db2.gz PBDFKYMXIURCLG-HUUCEWRRSA-N 2 1 264.413 3.361 20 0 CGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000924597281 638372085 /nfs/dbraw/zinc/37/20/85/638372085.db2.gz FDHQYZXOTCGBHA-QZTJIDSGSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000924616712 638377076 /nfs/dbraw/zinc/37/70/76/638377076.db2.gz GLZPWNOOZWSQNI-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000924616712 638377082 /nfs/dbraw/zinc/37/70/82/638377082.db2.gz GLZPWNOOZWSQNI-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C(C)C)[NH+](C)C ZINC000924630737 638380103 /nfs/dbraw/zinc/38/01/03/638380103.db2.gz BUOHANFMOBZCEW-IKGGRYGDSA-N 2 1 284.488 3.004 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)[NH+](C)C ZINC000924633209 638380271 /nfs/dbraw/zinc/38/02/71/638380271.db2.gz OOMUSECQERXAAM-ROUUACIJSA-N 2 1 296.499 3.148 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[NH+](C)C ZINC000924633233 638380741 /nfs/dbraw/zinc/38/07/41/638380741.db2.gz OZEAFMJPJYMOCI-UPTPFMHGSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924651642 638384608 /nfs/dbraw/zinc/38/46/08/638384608.db2.gz ZOYHNILPHUNMSS-BMFZPTHFSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](C[NH2+][C@@H](c1ccccn1)C1CCC1)C[NH+]1CCCC1 ZINC000924714301 638393529 /nfs/dbraw/zinc/39/35/29/638393529.db2.gz JTSXYSLMTSVLHD-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924954943 638431010 /nfs/dbraw/zinc/43/10/10/638431010.db2.gz LVKFZTPGVANEGN-JZXOWHBKSA-N 2 1 289.467 3.113 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925475318 638507741 /nfs/dbraw/zinc/50/77/41/638507741.db2.gz LVVOVAIFNSJOGI-ZSNVMCELSA-N 2 1 282.472 3.043 20 0 CGADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000925565890 638532255 /nfs/dbraw/zinc/53/22/55/638532255.db2.gz AUKOLGNAIOGSHE-CQSZACIVSA-N 2 1 276.449 3.041 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccccc1 ZINC000925582356 638536792 /nfs/dbraw/zinc/53/67/92/638536792.db2.gz ZFEMYJDYTSXVRP-USXIJHARSA-N 2 1 290.451 3.260 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)C12CCC2 ZINC000925586459 638536806 /nfs/dbraw/zinc/53/68/06/638536806.db2.gz TZMGSASQZOFGFB-BFHYXJOUSA-N 2 1 292.810 3.023 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccccc1 ZINC000925582355 638537067 /nfs/dbraw/zinc/53/70/67/638537067.db2.gz ZFEMYJDYTSXVRP-UAGQMJEPSA-N 2 1 290.451 3.260 20 0 CGADMP Cc1csc(C2([NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CCC2)n1 ZINC000925592437 638540548 /nfs/dbraw/zinc/54/05/48/638540548.db2.gz GXNORQZCSPKQNQ-CHWSQXEVSA-N 2 1 293.480 3.326 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCc1cccs1)c1ccccc1 ZINC000925629950 638549266 /nfs/dbraw/zinc/54/92/66/638549266.db2.gz NMMLPHMQYGEUBM-CJNGLKHVSA-N 2 1 274.433 3.359 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000925627637 638549386 /nfs/dbraw/zinc/54/93/86/638549386.db2.gz XDQXAIJOPAHHKM-ORQFMDKSSA-N 2 1 290.451 3.258 20 0 CGADMP COc1ccc(C2CC2)cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925736358 638589397 /nfs/dbraw/zinc/58/93/97/638589397.db2.gz MJQKXUWTCLIAFT-CZUORRHYSA-N 2 1 288.435 3.050 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752260 638596550 /nfs/dbraw/zinc/59/65/50/638596550.db2.gz UOJHIDWEBPWBLC-NWDGAFQWSA-N 2 1 281.469 3.175 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752260 638596555 /nfs/dbraw/zinc/59/65/55/638596555.db2.gz UOJHIDWEBPWBLC-NWDGAFQWSA-N 2 1 281.469 3.175 20 0 CGADMP CCCC[C@@H](C)[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752259 638596886 /nfs/dbraw/zinc/59/68/86/638596886.db2.gz UOJHIDWEBPWBLC-NEPJUHHUSA-N 2 1 281.469 3.175 20 0 CGADMP CCCC[C@@H](C)[C@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752259 638596892 /nfs/dbraw/zinc/59/68/92/638596892.db2.gz UOJHIDWEBPWBLC-NEPJUHHUSA-N 2 1 281.469 3.175 20 0 CGADMP C1=CCC(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000925829900 638625722 /nfs/dbraw/zinc/62/57/22/638625722.db2.gz AZDCPXKLBBAZEW-ZWKOTPCHSA-N 2 1 270.420 3.426 20 0 CGADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(F)c1F ZINC000925839444 638628677 /nfs/dbraw/zinc/62/86/77/638628677.db2.gz BYUSPACVSBGRGP-SGIREYDYSA-N 2 1 280.362 3.148 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000858490756 638740725 /nfs/dbraw/zinc/74/07/25/638740725.db2.gz NLSKIMVMUYEXNG-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC=CCC2)[C@H](C)C1 ZINC000927122548 638845223 /nfs/dbraw/zinc/84/52/23/638845223.db2.gz JEFINDCTFULFLL-ZBFHGGJFSA-N 2 1 250.430 3.053 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637282 638936564 /nfs/dbraw/zinc/93/65/64/638936564.db2.gz GVYFJQLNHYVAOU-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637282 638936565 /nfs/dbraw/zinc/93/65/65/638936565.db2.gz GVYFJQLNHYVAOU-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP FCc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929719884 638944805 /nfs/dbraw/zinc/94/48/05/638944805.db2.gz RCANBISZCRKOLD-INIZCTEOSA-N 2 1 290.426 3.464 20 0 CGADMP FCc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929719884 638944806 /nfs/dbraw/zinc/94/48/06/638944806.db2.gz RCANBISZCRKOLD-INIZCTEOSA-N 2 1 290.426 3.464 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2CF)CCN1C ZINC000929779568 638950061 /nfs/dbraw/zinc/95/00/61/638950061.db2.gz BJDVMLHUIVCPTA-BBRMVZONSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2CF)CC[NH+]1C ZINC000929779568 638950067 /nfs/dbraw/zinc/95/00/67/638950067.db2.gz BJDVMLHUIVCPTA-BBRMVZONSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2CF)CC[NH+]1C ZINC000929779568 638950069 /nfs/dbraw/zinc/95/00/69/638950069.db2.gz BJDVMLHUIVCPTA-BBRMVZONSA-N 2 1 264.388 3.071 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCSC3(CCCCC3)C2)[nH]1 ZINC000929809510 638953360 /nfs/dbraw/zinc/95/33/60/638953360.db2.gz LLGGCSHKBHPRDD-UHFFFAOYSA-N 2 1 279.453 3.278 20 0 CGADMP Cc1nc(C)c(CN2CCSC3(CCCCC3)C2)[nH]1 ZINC000929809510 638953362 /nfs/dbraw/zinc/95/33/62/638953362.db2.gz LLGGCSHKBHPRDD-UHFFFAOYSA-N 2 1 279.453 3.278 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCOC2CC2)CC1 ZINC000929840074 638956540 /nfs/dbraw/zinc/95/65/40/638956540.db2.gz BEMLCLJGTVVKTE-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@@H+](CCCNc1cc[nH+]c(CO)c1)C1CCCCC1 ZINC000858603461 639001223 /nfs/dbraw/zinc/00/12/23/639001223.db2.gz CIWYCHGHXXSCNL-UHFFFAOYSA-N 2 1 291.439 3.031 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCc3cccc(F)c3)C[C@]2(C)C1 ZINC000931311840 639132534 /nfs/dbraw/zinc/13/25/34/639132534.db2.gz QEKQEEVKTRHUBH-HDICACEKSA-N 2 1 290.426 3.032 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CCCc3cccc(F)c3)C[C@]2(C)C1 ZINC000931311840 639132538 /nfs/dbraw/zinc/13/25/38/639132538.db2.gz QEKQEEVKTRHUBH-HDICACEKSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CCCc3cccc(F)c3)C[C@]2(C)C1 ZINC000931311840 639132542 /nfs/dbraw/zinc/13/25/42/639132542.db2.gz QEKQEEVKTRHUBH-HDICACEKSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCc3cccc(F)c3)C[C@]2(C)C1 ZINC000931311840 639132543 /nfs/dbraw/zinc/13/25/43/639132543.db2.gz QEKQEEVKTRHUBH-HDICACEKSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](Cc3ccc4ncccc4c3)C[C@]2(C)C1 ZINC000931310887 639133847 /nfs/dbraw/zinc/13/38/47/639133847.db2.gz JLNBTGCBQNKZAZ-OALUTQOASA-N 2 1 295.430 3.008 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000859564455 639163649 /nfs/dbraw/zinc/16/36/49/639163649.db2.gz DUMHFVYUMBMZKX-KDOFPFPSSA-N 2 1 298.434 3.354 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927783 639255805 /nfs/dbraw/zinc/25/58/05/639255805.db2.gz SOSDESZLKBBPMC-ZSYWTGECSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927783 639255808 /nfs/dbraw/zinc/25/58/08/639255808.db2.gz SOSDESZLKBBPMC-ZSYWTGECSA-N 2 1 284.447 3.206 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000932562076 639353861 /nfs/dbraw/zinc/35/38/61/639353861.db2.gz VYWICNXJBDJFKT-ZDUSSCGKSA-N 2 1 275.371 3.151 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCCSC)[C@@H](C)C1 ZINC000248446545 640760488 /nfs/dbraw/zinc/76/04/88/640760488.db2.gz CPXIERZHNVAAEJ-GJZGRUSLSA-N 2 1 272.502 3.230 20 0 CGADMP CC[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133747 640858766 /nfs/dbraw/zinc/85/87/66/640858766.db2.gz FZVRDMLNEOJQQU-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133747 640858767 /nfs/dbraw/zinc/85/87/67/640858767.db2.gz FZVRDMLNEOJQQU-DOTOQJQBSA-N 2 1 258.409 3.008 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC001253096807 806166602 /nfs/dbraw/zinc/16/66/02/806166602.db2.gz WKJXMXCZCRCMRX-GJZGRUSLSA-N 2 1 288.435 3.004 20 0 CGADMP c1ccc2c(Nc3ccc([C@H]4CC[NH2+]C4)cc3)cc[nH+]c2c1 ZINC001159776136 806170652 /nfs/dbraw/zinc/17/06/52/806170652.db2.gz RQZPSIOTDPDAMG-HNNXBMFYSA-N 2 1 289.382 3.477 20 0 CGADMP Cn1ccc2c1cc[nH+]c2N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001160468771 806275176 /nfs/dbraw/zinc/27/51/76/806275176.db2.gz FXOZWIIDNNVBPK-ZSOGYDGISA-N 2 1 284.407 3.001 20 0 CGADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCC(F)(F)CC2)C1 ZINC001254216036 806367674 /nfs/dbraw/zinc/36/76/74/806367674.db2.gz AEKMHPZSKLTXBV-ZDUSSCGKSA-N 2 1 274.399 3.405 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H]2CCC[N@H+](C)CC2)s1 ZINC001254499592 806420465 /nfs/dbraw/zinc/42/04/65/806420465.db2.gz KJMVKPNSZCTGLB-AWEZNQCLSA-N 2 1 266.454 3.063 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001254507536 806426667 /nfs/dbraw/zinc/42/66/67/806426667.db2.gz MGENGPIZOLVAMJ-IBGZPJMESA-N 2 1 295.430 3.323 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507332 806428554 /nfs/dbraw/zinc/42/85/54/806428554.db2.gz AUXFWXVFFMKHRP-BBRMVZONSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507332 806428561 /nfs/dbraw/zinc/42/85/61/806428561.db2.gz AUXFWXVFFMKHRP-BBRMVZONSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C(C)(C)C)CC2)CC1 ZINC001254516382 806435982 /nfs/dbraw/zinc/43/59/82/806435982.db2.gz MFXATZXZZIWBFZ-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NCCCC[NH+](C)C)[nH+]1 ZINC001161725794 806437594 /nfs/dbraw/zinc/43/75/94/806437594.db2.gz QTUJJLLWTJCGOO-UHFFFAOYSA-N 2 1 275.318 3.163 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)c1 ZINC001254524373 806438447 /nfs/dbraw/zinc/43/84/47/806438447.db2.gz BBYPSSGYPISNOW-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254524373 806438451 /nfs/dbraw/zinc/43/84/51/806438451.db2.gz BBYPSSGYPISNOW-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254524373 806438458 /nfs/dbraw/zinc/43/84/58/806438458.db2.gz BBYPSSGYPISNOW-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP CCc1nc(NC[C@@H](C2CCCCC2)[NH+](C)C)cc(C)[nH+]1 ZINC001162103131 806504857 /nfs/dbraw/zinc/50/48/57/806504857.db2.gz AVUOVYCMPJQQBP-HNNXBMFYSA-N 2 1 290.455 3.270 20 0 CGADMP [NH3+]Cc1cccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123579 806549157 /nfs/dbraw/zinc/54/91/57/806549157.db2.gz DEDVIIOBXGEVLV-DZFIZOCASA-N 2 1 295.430 3.315 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3CCC3)CC2)cc1 ZINC001255377206 806628242 /nfs/dbraw/zinc/62/82/42/806628242.db2.gz JYZONVQXKPVUCW-QGZVFWFLSA-N 2 1 258.409 3.183 20 0 CGADMP COCC(C)(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384245 806630915 /nfs/dbraw/zinc/63/09/15/806630915.db2.gz WMBXIYPHBFCXQS-KRWDZBQOSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC000037997525 798882743 /nfs/dbraw/zinc/88/27/43/798882743.db2.gz COVQYAYHGYZNSK-ZDUSSCGKSA-N 2 1 282.378 3.176 20 0 CGADMP C[C@@H]([NH3+])c1nc2ccccc2n1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255663378 806698342 /nfs/dbraw/zinc/69/83/42/806698342.db2.gz GMOQZPJBHOAGRT-JKXDFHQYSA-N 2 1 298.434 3.244 20 0 CGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001255668421 806700613 /nfs/dbraw/zinc/70/06/13/806700613.db2.gz KCMKKJULHJRAAZ-YCXXCVGLSA-N 2 1 287.451 3.384 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC000163903765 799083689 /nfs/dbraw/zinc/08/36/89/799083689.db2.gz FMIJYWMKMYDJMG-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC000300244482 799203237 /nfs/dbraw/zinc/20/32/37/799203237.db2.gz ZKOFMSMYJJSRRI-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC000300244482 799203241 /nfs/dbraw/zinc/20/32/41/799203241.db2.gz ZKOFMSMYJJSRRI-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001255750291 806733922 /nfs/dbraw/zinc/73/39/22/806733922.db2.gz MOWBRKYMGTUUDS-JKSUJKDBSA-N 2 1 292.492 3.407 20 0 CGADMP CCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379642433 799351014 /nfs/dbraw/zinc/35/10/14/799351014.db2.gz DXBUUUUNBJTWPJ-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP CCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379642433 799351022 /nfs/dbraw/zinc/35/10/22/799351022.db2.gz DXBUUUUNBJTWPJ-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379647131 799352193 /nfs/dbraw/zinc/35/21/93/799352193.db2.gz JWGLBKIFMUBBOB-INMHGKMJSA-N 2 1 260.425 3.285 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC3CCC2CC3)CCCCC1 ZINC000382018217 799391715 /nfs/dbraw/zinc/39/17/15/799391715.db2.gz OSEJLUCJJXXLRH-UYSNPLJNSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]1[C@H](C)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000384085204 799411852 /nfs/dbraw/zinc/41/18/52/799411852.db2.gz AAFVPCSMAYYRTG-SDKNFDLMSA-N 2 1 250.430 3.028 20 0 CGADMP C(C[N@H+]1CCC2(CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000388418552 799452449 /nfs/dbraw/zinc/45/24/49/799452449.db2.gz PNKHFTZTTGBLMG-MQVJKMGUSA-N 2 1 262.441 3.173 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCCCC2)cc1 ZINC000398302302 799530137 /nfs/dbraw/zinc/53/01/37/799530137.db2.gz RSOCVWDKBPSSGD-PIIMJCKOSA-N 2 1 270.420 3.039 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCCCC2)cc1 ZINC000398302302 799530143 /nfs/dbraw/zinc/53/01/43/799530143.db2.gz RSOCVWDKBPSSGD-PIIMJCKOSA-N 2 1 270.420 3.039 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cncc3ccccc32)[C@H]1CC[NH3+] ZINC000404293531 799576221 /nfs/dbraw/zinc/57/62/21/799576221.db2.gz WFCKXLREELQQFO-KDOFPFPSSA-N 2 1 283.419 3.184 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCc2ccccc21 ZINC000404796198 799579453 /nfs/dbraw/zinc/57/94/53/799579453.db2.gz SWOYAMPWUPMDFE-OAHLLOKOSA-N 2 1 260.425 3.167 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421861471 799596924 /nfs/dbraw/zinc/59/69/24/799596924.db2.gz VXDQFZMYFISKLE-DOTOQJQBSA-N 2 1 289.467 3.039 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421861471 799596928 /nfs/dbraw/zinc/59/69/28/799596928.db2.gz VXDQFZMYFISKLE-DOTOQJQBSA-N 2 1 289.467 3.039 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC001255841557 806764917 /nfs/dbraw/zinc/76/49/17/806764917.db2.gz JIDXSRZIUBHWKS-IIDMSEBBSA-N 2 1 292.442 3.465 20 0 CGADMP C[N@@H+](C[C@@H]1CC2CCC1CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000691677111 799786176 /nfs/dbraw/zinc/78/61/76/799786176.db2.gz MKXUROIBEOJSIP-TXCCYELXSA-N 2 1 262.441 3.028 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001255866226 806775540 /nfs/dbraw/zinc/77/55/40/806775540.db2.gz NMNMOEPOZZJCDK-DAYGRLMNSA-N 2 1 292.442 3.465 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699202360 799858251 /nfs/dbraw/zinc/85/82/51/799858251.db2.gz CMCGWROFJTUCRE-YTTRVJOFSA-N 2 1 258.409 3.210 20 0 CGADMP c1ccc(C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000699234513 799858409 /nfs/dbraw/zinc/85/84/09/799858409.db2.gz PHUYVZCMMIYSPZ-ALOPSCKCSA-N 2 1 270.420 3.182 20 0 CGADMP C1=C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000700488275 799871790 /nfs/dbraw/zinc/87/17/90/799871790.db2.gz FRPXXIFOFBGYRN-KRWDZBQOSA-N 2 1 270.420 3.002 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000700817620 799880723 /nfs/dbraw/zinc/88/07/23/799880723.db2.gz SREXCXLFQSEBIB-RYUDHWBXSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000700817620 799880729 /nfs/dbraw/zinc/88/07/29/799880729.db2.gz SREXCXLFQSEBIB-RYUDHWBXSA-N 2 1 292.370 3.016 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC001255944350 806791089 /nfs/dbraw/zinc/79/10/89/806791089.db2.gz UTNOTPVPHCTOPZ-HNNXBMFYSA-N 2 1 260.425 3.386 20 0 CGADMP CS[C@H]1CC[C@@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707271609 799976787 /nfs/dbraw/zinc/97/67/87/799976787.db2.gz SOTOMCSWYUWUKU-BMRXWSCTSA-N 2 1 282.497 3.123 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC001255945434 806792926 /nfs/dbraw/zinc/79/29/26/806792926.db2.gz FQZTZHRNCRQKAJ-CZUORRHYSA-N 2 1 298.858 3.083 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC001255947807 806793531 /nfs/dbraw/zinc/79/35/31/806793531.db2.gz WXHVFODOYTUXSK-GOEBONIOSA-N 2 1 275.440 3.169 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708554307 799992217 /nfs/dbraw/zinc/99/22/17/799992217.db2.gz XHFQZNHWLMHDLJ-LMSBXDPUSA-N 2 1 272.436 3.143 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708849731 799996566 /nfs/dbraw/zinc/99/65/66/799996566.db2.gz LUYXEEMPUDIGMW-FVQBIDKESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]12C[C@H]1CCCC2 ZINC000709126746 800004784 /nfs/dbraw/zinc/00/47/84/800004784.db2.gz JBNITBIVNSPDQF-UTSKFRMZSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1F ZINC000710728745 800038419 /nfs/dbraw/zinc/03/84/19/800038419.db2.gz CQUMSOULOQMJSS-UHFFFAOYSA-N 2 1 252.377 3.085 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001255955584 806798107 /nfs/dbraw/zinc/79/81/07/806798107.db2.gz CLMLPXKRBVDNAC-QWHCGFSZSA-N 2 1 298.368 3.331 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001255955584 806798113 /nfs/dbraw/zinc/79/81/13/806798113.db2.gz CLMLPXKRBVDNAC-QWHCGFSZSA-N 2 1 298.368 3.331 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001255957885 806800343 /nfs/dbraw/zinc/80/03/43/806800343.db2.gz WKVKTCACNCHQTR-YNEHKIRRSA-N 2 1 298.368 3.187 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001255957885 806800351 /nfs/dbraw/zinc/80/03/51/806800351.db2.gz WKVKTCACNCHQTR-YNEHKIRRSA-N 2 1 298.368 3.187 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001255964836 806801479 /nfs/dbraw/zinc/80/14/79/806801479.db2.gz VPZDVKFBIKXIAB-QWHCGFSZSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001255964836 806801488 /nfs/dbraw/zinc/80/14/88/806801488.db2.gz VPZDVKFBIKXIAB-QWHCGFSZSA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001255964837 806802243 /nfs/dbraw/zinc/80/22/43/806802243.db2.gz VPZDVKFBIKXIAB-STQMWFEESA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](C(F)F)C1 ZINC001255964837 806802250 /nfs/dbraw/zinc/80/22/50/806802250.db2.gz VPZDVKFBIKXIAB-STQMWFEESA-N 2 1 262.388 3.084 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCc1cccc(OC)c1 ZINC001255965131 806803049 /nfs/dbraw/zinc/80/30/49/806803049.db2.gz YBUBFLOHRSAPBI-INIZCTEOSA-N 2 1 292.467 3.290 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000714302634 800117655 /nfs/dbraw/zinc/11/76/55/800117655.db2.gz GAQPEGXXKWGUSQ-NUEKZKHPSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C[NH2+]1 ZINC000723608003 800329482 /nfs/dbraw/zinc/32/94/82/800329482.db2.gz MWMMUAPZHDQYAB-JKJDWNRSSA-N 2 1 250.430 3.075 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000723685867 800336934 /nfs/dbraw/zinc/33/69/34/800336934.db2.gz LCFNAAGTPOFNRE-NSHDSACASA-N 2 1 293.461 3.042 20 0 CGADMP C[NH+]1CCC([NH2+]C/C(=C/F)CCc2ccc(F)cc2)CC1 ZINC001256197469 806847260 /nfs/dbraw/zinc/84/72/60/806847260.db2.gz INQBAIPXMVOMGW-NTCAYCPXSA-N 2 1 294.389 3.296 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C1CCN(C)CC1 ZINC001256208303 806850924 /nfs/dbraw/zinc/85/09/24/806850924.db2.gz DOXMDCBZNVBXBX-LBPRGKRZSA-N 2 1 266.816 3.427 20 0 CGADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+]C(C)(C)C[NH3+] ZINC001256212319 806851880 /nfs/dbraw/zinc/85/18/80/806851880.db2.gz BMGCEKYQCOKOLQ-NSHDSACASA-N 2 1 299.256 3.097 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCn2cccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256524079 806909961 /nfs/dbraw/zinc/90/99/61/806909961.db2.gz UWDSSDLIRHDQJZ-MJGOQNOKSA-N 2 1 297.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCn2cccc2)CC[N@H+]1Cc1ccccc1 ZINC001256524079 806909965 /nfs/dbraw/zinc/90/99/65/806909965.db2.gz UWDSSDLIRHDQJZ-MJGOQNOKSA-N 2 1 297.446 3.131 20 0 CGADMP C[C@H]1C[C@H](n2cccc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529545 806911237 /nfs/dbraw/zinc/91/12/37/806911237.db2.gz VFCWPHNKTSUBRH-QFBILLFUSA-N 2 1 297.446 3.215 20 0 CGADMP C[C@H]1C[C@@H](n2ccc(C[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC001256532035 806911310 /nfs/dbraw/zinc/91/13/10/806911310.db2.gz WPVAVYLTHRUPBW-YJBOKZPZSA-N 2 1 283.419 3.172 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001256573604 806919215 /nfs/dbraw/zinc/91/92/15/806919215.db2.gz LCTCVFFFHFYSKB-LLVKDONJSA-N 2 1 278.362 3.134 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001256573604 806919220 /nfs/dbraw/zinc/91/92/20/806919220.db2.gz LCTCVFFFHFYSKB-LLVKDONJSA-N 2 1 278.362 3.134 20 0 CGADMP C[N@H+](Cc1cccc(O)c1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256569851 806919274 /nfs/dbraw/zinc/91/92/74/806919274.db2.gz QOXPLJAZHNZKPD-UHFFFAOYSA-N 2 1 276.424 3.087 20 0 CGADMP C[N@@H+](Cc1cccc(O)c1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256569851 806919277 /nfs/dbraw/zinc/91/92/77/806919277.db2.gz QOXPLJAZHNZKPD-UHFFFAOYSA-N 2 1 276.424 3.087 20 0 CGADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CCN(Cc2ccccc2)CC1 ZINC001256607669 806923940 /nfs/dbraw/zinc/92/39/40/806923940.db2.gz RBPMTNVQYSVYKD-RYQLBKOJSA-N 2 1 288.410 3.083 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001116293966 802325316 /nfs/dbraw/zinc/32/53/16/802325316.db2.gz NLWHZIGTAXBARC-BMGDILEWSA-N 2 1 290.451 3.089 20 0 CGADMP Clc1ccsc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118193555 802535702 /nfs/dbraw/zinc/53/57/02/802535702.db2.gz OHZJUASURHNRSS-UHFFFAOYSA-N 2 1 284.856 3.367 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC001119375437 802655915 /nfs/dbraw/zinc/65/59/15/802655915.db2.gz FNIOPGXBEHXNJA-VYDXJSESSA-N 2 1 258.409 3.069 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C12CCC2 ZINC001119631423 802686938 /nfs/dbraw/zinc/68/69/38/802686938.db2.gz UVZUOAJIQHKFDV-HUUCEWRRSA-N 2 1 299.443 3.170 20 0 CGADMP F[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC001120364653 802742594 /nfs/dbraw/zinc/74/25/94/802742594.db2.gz MEYWPVGEPCSYTI-LVMBCBDASA-N 2 1 266.404 3.015 20 0 CGADMP [NH3+]Cc1cccc2ncn([C@H]3CCC[N@H+](C4CCCC4)C3)c21 ZINC001256908310 807006860 /nfs/dbraw/zinc/00/68/60/807006860.db2.gz MFNBKBNUIMRQHW-INIZCTEOSA-N 2 1 298.434 3.075 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(/C=C/C2CC[NH2+]CC2)nc1 ZINC001243893401 803064475 /nfs/dbraw/zinc/06/44/75/803064475.db2.gz BHVCNCCSUPCMDR-YERXGYGTSA-N 2 1 299.462 3.469 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(F)c1 ZINC001206808800 813444084 /nfs/dbraw/zinc/44/40/84/813444084.db2.gz KMCWGABSKYVATN-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(F)c1 ZINC001206808800 813444087 /nfs/dbraw/zinc/44/40/87/813444087.db2.gz KMCWGABSKYVATN-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206812275 813443141 /nfs/dbraw/zinc/44/31/41/813443141.db2.gz YYHNVCCFJCTLMO-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP CCSc1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206812216 813443194 /nfs/dbraw/zinc/44/31/94/813443194.db2.gz YFAHOHBDPCYBRQ-ZIAGYGMSSA-N 2 1 278.465 3.358 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cnc4ccccc4c3)C[C@H]2C1 ZINC001137284259 803708370 /nfs/dbraw/zinc/70/83/70/803708370.db2.gz KIAXJLAYMPOWOO-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC001137284259 803708373 /nfs/dbraw/zinc/70/83/73/803708373.db2.gz KIAXJLAYMPOWOO-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC001137284259 803708375 /nfs/dbraw/zinc/70/83/75/803708375.db2.gz KIAXJLAYMPOWOO-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC001137284259 803708379 /nfs/dbraw/zinc/70/83/79/803708379.db2.gz KIAXJLAYMPOWOO-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC001137284259 803708383 /nfs/dbraw/zinc/70/83/83/803708383.db2.gz KIAXJLAYMPOWOO-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccnc(C)c2)CC1 ZINC001137420067 803731212 /nfs/dbraw/zinc/73/12/12/803731212.db2.gz POPNIOOWYAEZES-UHFFFAOYSA-N 2 1 275.440 3.086 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccnc(C)c2)CC1 ZINC001137420067 803731216 /nfs/dbraw/zinc/73/12/16/803731216.db2.gz POPNIOOWYAEZES-UHFFFAOYSA-N 2 1 275.440 3.086 20 0 CGADMP Cc1[nH+]c(N)ccc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245527814 803791375 /nfs/dbraw/zinc/79/13/75/803791375.db2.gz YNGDGCSFPKCYTM-UHFFFAOYSA-N 2 1 267.376 3.106 20 0 CGADMP Cc1ccc(F)c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1Cl ZINC001138024947 803829768 /nfs/dbraw/zinc/82/97/68/803829768.db2.gz RXFXODNIHGMLGL-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1ccc(F)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1Cl ZINC001138024947 803829775 /nfs/dbraw/zinc/82/97/75/803829775.db2.gz RXFXODNIHGMLGL-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1ccc(F)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1Cl ZINC001138024947 803829785 /nfs/dbraw/zinc/82/97/85/803829785.db2.gz RXFXODNIHGMLGL-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Cl ZINC001138024947 803829795 /nfs/dbraw/zinc/82/97/95/803829795.db2.gz RXFXODNIHGMLGL-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Cl ZINC001138024947 803829803 /nfs/dbraw/zinc/82/98/03/803829803.db2.gz RXFXODNIHGMLGL-OLZOCXBDSA-N 2 1 296.817 3.171 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062699 803846556 /nfs/dbraw/zinc/84/65/56/803846556.db2.gz WSWXDDJJZNXTRS-QAPCUYQASA-N 2 1 296.414 3.071 20 0 CGADMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062699 803846564 /nfs/dbraw/zinc/84/65/64/803846564.db2.gz WSWXDDJJZNXTRS-QAPCUYQASA-N 2 1 296.414 3.071 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062699 803846573 /nfs/dbraw/zinc/84/65/73/803846573.db2.gz WSWXDDJJZNXTRS-QAPCUYQASA-N 2 1 296.414 3.071 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cc4cc(C)ccc4[nH]3)C[C@H]2C1 ZINC001138416753 803922650 /nfs/dbraw/zinc/92/26/50/803922650.db2.gz CPMDCQDXGUIURC-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CC[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC001138543785 803963619 /nfs/dbraw/zinc/96/36/19/803963619.db2.gz USDPKRAHUPROMN-UHFFFAOYSA-N 2 1 255.365 3.165 20 0 CGADMP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC001138543785 803963624 /nfs/dbraw/zinc/96/36/24/803963624.db2.gz USDPKRAHUPROMN-UHFFFAOYSA-N 2 1 255.365 3.165 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)cc1 ZINC001138544448 803965132 /nfs/dbraw/zinc/96/51/32/803965132.db2.gz IPMCSKSDQWZNCA-GUYCJALGSA-N 2 1 287.382 3.361 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)cc1 ZINC001138544448 803965139 /nfs/dbraw/zinc/96/51/39/803965139.db2.gz IPMCSKSDQWZNCA-GUYCJALGSA-N 2 1 287.382 3.361 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@H]2C1 ZINC001138569781 803970893 /nfs/dbraw/zinc/97/08/93/803970893.db2.gz OMQKNPOOSYIJLD-HZPDHXFCSA-N 2 1 278.465 3.139 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC001138675088 804001763 /nfs/dbraw/zinc/00/17/63/804001763.db2.gz LVRKXMIFJPPCIK-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3CCC2CC3)cc1 ZINC001138773229 804034564 /nfs/dbraw/zinc/03/45/64/804034564.db2.gz WZAPNZJHUOQRCE-UHFFFAOYSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001138999028 804104135 /nfs/dbraw/zinc/10/41/35/804104135.db2.gz VIQCTFVHLNDULB-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001138999028 804104139 /nfs/dbraw/zinc/10/41/39/804104139.db2.gz VIQCTFVHLNDULB-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001138999028 804104143 /nfs/dbraw/zinc/10/41/43/804104143.db2.gz VIQCTFVHLNDULB-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001138999028 804104150 /nfs/dbraw/zinc/10/41/50/804104150.db2.gz VIQCTFVHLNDULB-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP CCCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001138999028 804104154 /nfs/dbraw/zinc/10/41/54/804104154.db2.gz VIQCTFVHLNDULB-GOSISDBHSA-N 2 1 288.435 3.003 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(Cl)cc1Cl ZINC001246077131 804116547 /nfs/dbraw/zinc/11/65/47/804116547.db2.gz QSPQDLKMLDDGSV-SNVBAGLBSA-N 2 1 291.197 3.364 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090923 804122505 /nfs/dbraw/zinc/12/25/05/804122505.db2.gz MZEXFRDBKVSIKJ-FZMZJTMJSA-N 2 1 284.806 3.142 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246094103 804126602 /nfs/dbraw/zinc/12/66/02/804126602.db2.gz HDMSYLIIZMCRHA-KBPBESRZSA-N 2 1 282.378 3.365 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246098176 804130521 /nfs/dbraw/zinc/13/05/21/804130521.db2.gz PMTAIHYTPYFEAN-NJAFHUGGSA-N 2 1 274.452 3.376 20 0 CGADMP C[C@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246100448 804133145 /nfs/dbraw/zinc/13/31/45/804133145.db2.gz DBOVXHMRFKHMEU-MURWCNHISA-N 2 1 299.245 3.191 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc21 ZINC001139123974 804134614 /nfs/dbraw/zinc/13/46/14/804134614.db2.gz GUTVTKINMXPEDY-LJQANCHMSA-N 2 1 297.446 3.189 20 0 CGADMP CCn1ccc2ccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc21 ZINC001139123974 804134615 /nfs/dbraw/zinc/13/46/15/804134615.db2.gz GUTVTKINMXPEDY-LJQANCHMSA-N 2 1 297.446 3.189 20 0 CGADMP CCn1ccc2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc21 ZINC001139123974 804134617 /nfs/dbraw/zinc/13/46/17/804134617.db2.gz GUTVTKINMXPEDY-LJQANCHMSA-N 2 1 297.446 3.189 20 0 CGADMP CC[C@@H]1CC([NH2+][C@@H]2CCOc3ccccc32)C[C@@H](CC)[NH2+]1 ZINC001246113718 804145200 /nfs/dbraw/zinc/14/52/00/804145200.db2.gz JUOUZMRHZQVCEU-CKEIUWERSA-N 2 1 288.435 3.409 20 0 CGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[NH2+]C1 ZINC001246117407 804149729 /nfs/dbraw/zinc/14/97/29/804149729.db2.gz QVUCTUWLZWTMOF-JQWIXIFHSA-N 2 1 287.234 3.266 20 0 CGADMP CC[C@@H]1CC([NH2+]CCC[NH+]2CCC(C)CC2)C[C@@H](CC)[NH2+]1 ZINC001246161298 804177073 /nfs/dbraw/zinc/17/70/73/804177073.db2.gz IXGIRTOJHXSVMK-IAGOWNOFSA-N 3 1 295.515 3.007 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160486 804177952 /nfs/dbraw/zinc/17/79/52/804177952.db2.gz NBMHWAKAVDZNOB-ZJPYXAASSA-N 2 1 296.499 3.482 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246161983 804178913 /nfs/dbraw/zinc/17/89/13/804178913.db2.gz UXSBRZFOUWZCAW-LUKYLMHMSA-N 2 1 282.472 3.092 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C[NH2+]1 ZINC001246180476 804193666 /nfs/dbraw/zinc/19/36/66/804193666.db2.gz RVQDOZJBWQBJKH-JVULPWBXSA-N 2 1 276.468 3.466 20 0 CGADMP F[C@]1(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246181674 804194899 /nfs/dbraw/zinc/19/48/99/804194899.db2.gz RMNHPTHRQLRZPN-KZNAEPCWSA-N 2 1 290.426 3.394 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246231087 804223498 /nfs/dbraw/zinc/22/34/98/804223498.db2.gz OFJJMPJGWMYLQU-CJNGLKHVSA-N 2 1 296.405 3.014 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc12 ZINC001246258540 804242697 /nfs/dbraw/zinc/24/26/97/804242697.db2.gz XZYXLRWQHZBZTP-MRXNPFEDSA-N 2 1 268.404 3.380 20 0 CGADMP COc1cc(F)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246262062 804244726 /nfs/dbraw/zinc/24/47/26/804244726.db2.gz HKTMANWHPHHUIG-ZBFHGGJFSA-N 2 1 294.414 3.091 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2ccc(F)cc2OC)C[C@H](CC)[NH2+]1 ZINC001246264697 804245556 /nfs/dbraw/zinc/24/55/56/804245556.db2.gz OQPULSBKRPRNCY-GJZGRUSLSA-N 2 1 294.414 3.233 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+][C@@H](C[NH3+])Cc1ccccc1)C2 ZINC001246266656 804246611 /nfs/dbraw/zinc/24/66/11/804246611.db2.gz LVCQVLIYTOLEEK-RBUKOAKNSA-N 2 1 294.442 3.012 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCCCCCCCCCCO)C[NH2+]1 ZINC001246271418 804250315 /nfs/dbraw/zinc/25/03/15/804250315.db2.gz ILDLCAOQCRVHDH-IRXDYDNUSA-N 2 1 284.488 3.220 20 0 CGADMP CC(C)([NH2+][C@@H]1CC[NH2+]C(C)(C)C1)c1cc(F)cc(F)c1 ZINC001246282423 804258032 /nfs/dbraw/zinc/25/80/32/804258032.db2.gz WESIZSNAMMXPFM-CQSZACIVSA-N 2 1 282.378 3.320 20 0 CGADMP CCCCCC(CCCCC)N[C@@H]([NH3+])CCC[NH3+] ZINC001246302105 804268041 /nfs/dbraw/zinc/26/80/41/804268041.db2.gz WDCMQXPRMBKGRG-OAHLLOKOSA-N 2 1 257.466 3.129 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246320618 804279024 /nfs/dbraw/zinc/27/90/24/804279024.db2.gz ZLTBUDUTMZQUOE-JOYOIKCWSA-N 2 1 275.223 3.251 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246332165 804287938 /nfs/dbraw/zinc/28/79/38/804287938.db2.gz PMTAIHYTPYFEAN-SZMVWBNQSA-N 2 1 274.452 3.376 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CNc4ccccc43)CCN2)cc1 ZINC001246355113 804301197 /nfs/dbraw/zinc/30/11/97/804301197.db2.gz IOSQZDJXBCFXIH-AYOQOUSVSA-N 2 1 293.414 3.236 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246356702 804301561 /nfs/dbraw/zinc/30/15/61/804301561.db2.gz PJJILUFVMIJHDT-KEYYUXOJSA-N 2 1 273.424 3.054 20 0 CGADMP CC[C@H]1CC(N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246359285 804302842 /nfs/dbraw/zinc/30/28/42/804302842.db2.gz AIPKKRSTTAUUBO-JYJNAYRXSA-N 2 1 295.515 3.006 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC001246383979 804315071 /nfs/dbraw/zinc/31/50/71/804315071.db2.gz NBUIAASIPGIXSW-DZGCQCFKSA-N 2 1 292.854 3.393 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246414949 804326620 /nfs/dbraw/zinc/32/66/20/804326620.db2.gz VUOIZRGZYBROPF-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP CC[C@]1([NH2+][C@@H](C)Cc2c(F)cccc2Cl)CC[NH2+]C1 ZINC001246464542 804344469 /nfs/dbraw/zinc/34/44/69/804344469.db2.gz RWSGZPWPBKVVMJ-NHYWBVRUSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246496353 804360962 /nfs/dbraw/zinc/36/09/62/804360962.db2.gz MQXAAFISMPPNBY-OAGGEKHMSA-N 2 1 264.457 3.467 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CSc1ccc(F)cc1 ZINC001246502802 804364634 /nfs/dbraw/zinc/36/46/34/804364634.db2.gz GCIIZVVPIJAUCK-JSGCOSHPSA-N 2 1 284.444 3.269 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246509540 804368469 /nfs/dbraw/zinc/36/84/69/804368469.db2.gz DZOMRGCHNNOGGC-SJORKVTESA-N 3 1 295.515 3.151 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246519578 804372889 /nfs/dbraw/zinc/37/28/89/804372889.db2.gz OIBQDSHHNXWGTQ-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246520262 804373691 /nfs/dbraw/zinc/37/36/91/804373691.db2.gz SPHRRWGCCXDGHA-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@@H]1C ZINC001246522143 804376412 /nfs/dbraw/zinc/37/64/12/804376412.db2.gz IOKCADCYAFGZCM-OWCLPIDISA-N 2 1 264.457 3.277 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246521655 804376947 /nfs/dbraw/zinc/37/69/47/804376947.db2.gz PNPRKVKUUBZGLY-ZWKOTPCHSA-N 2 1 272.436 3.431 20 0 CGADMP CC(C)CC[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246525426 804378572 /nfs/dbraw/zinc/37/85/72/804378572.db2.gz YDSNSMYOLRRJOM-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[N@@H+](CC)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246523589 804379303 /nfs/dbraw/zinc/37/93/03/804379303.db2.gz YSQSRWLQEHYJIP-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CCC[N@@H+](CC1CC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246529410 804380370 /nfs/dbraw/zinc/38/03/70/804380370.db2.gz HDMBBXYJQHKUKE-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246536628 804385291 /nfs/dbraw/zinc/38/52/91/804385291.db2.gz VPVCDMPFYUROCO-CVEARBPZSA-N 2 1 270.461 3.175 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246538884 804387527 /nfs/dbraw/zinc/38/75/27/804387527.db2.gz QKWCOWXGBSMPKX-OBJOEFQTSA-N 2 1 282.428 3.118 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246538884 804387532 /nfs/dbraw/zinc/38/75/32/804387532.db2.gz QKWCOWXGBSMPKX-OBJOEFQTSA-N 2 1 282.428 3.118 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC001246540500 804387637 /nfs/dbraw/zinc/38/76/37/804387637.db2.gz AZJAMLLOOSDVBY-NUEKZKHPSA-N 2 1 258.409 3.136 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246538332 804388083 /nfs/dbraw/zinc/38/80/83/804388083.db2.gz BOBHYYGEAUQOFU-CXAGYDPISA-N 2 1 292.854 3.129 20 0 CGADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246538596 804389162 /nfs/dbraw/zinc/38/91/62/804389162.db2.gz DBBDBCHSTUIFIB-UONOGXRCSA-N 2 1 278.827 3.011 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545282 804392747 /nfs/dbraw/zinc/39/27/47/804392747.db2.gz ARNIYWJNPGUSAQ-OCCSQVGLSA-N 2 1 276.465 3.060 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246548855 804398321 /nfs/dbraw/zinc/39/83/21/804398321.db2.gz KPYVUVJXRHLOAN-HUUCEWRRSA-N 2 1 258.425 3.498 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001246550269 804400510 /nfs/dbraw/zinc/40/05/10/804400510.db2.gz JGBVQJNETXSHHC-CGTJXYLNSA-N 2 1 274.452 3.315 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001246551906 804402711 /nfs/dbraw/zinc/40/27/11/804402711.db2.gz SKLHRPIDBSETBI-KBPBESRZSA-N 2 1 280.843 3.202 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001246551906 804402715 /nfs/dbraw/zinc/40/27/15/804402715.db2.gz SKLHRPIDBSETBI-KBPBESRZSA-N 2 1 280.843 3.202 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001246555382 804403869 /nfs/dbraw/zinc/40/38/69/804403869.db2.gz DVNMLYJVYWMZOL-JTDSTZFVSA-N 2 1 288.479 3.487 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246558860 804408000 /nfs/dbraw/zinc/40/80/00/804408000.db2.gz ACXYJLHENAOQHN-HZPDHXFCSA-N 2 1 264.388 3.034 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246558860 804408004 /nfs/dbraw/zinc/40/80/04/804408004.db2.gz ACXYJLHENAOQHN-HZPDHXFCSA-N 2 1 264.388 3.034 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246558858 804408515 /nfs/dbraw/zinc/40/85/15/804408515.db2.gz ACXYJLHENAOQHN-CVEARBPZSA-N 2 1 264.388 3.034 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246558858 804408517 /nfs/dbraw/zinc/40/85/17/804408517.db2.gz ACXYJLHENAOQHN-CVEARBPZSA-N 2 1 264.388 3.034 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246560350 804409299 /nfs/dbraw/zinc/40/92/99/804409299.db2.gz CWLLRMKFFAVORQ-DYEKYZERSA-N 2 1 298.833 3.469 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001246563188 804411236 /nfs/dbraw/zinc/41/12/36/804411236.db2.gz JGACWQARNLIOJH-RLFYNMQTSA-N 2 1 274.452 3.239 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](F)C2)CC[NH2+]1 ZINC001246565056 804413375 /nfs/dbraw/zinc/41/33/75/804413375.db2.gz ABHVUEYPQJWMOY-KFWWJZLASA-N 2 1 256.409 3.121 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](F)C2)CC[NH2+]1 ZINC001246565056 804413379 /nfs/dbraw/zinc/41/33/79/804413379.db2.gz ABHVUEYPQJWMOY-KFWWJZLASA-N 2 1 256.409 3.121 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C[C@H]1C ZINC001246563985 804414065 /nfs/dbraw/zinc/41/40/65/804414065.db2.gz YJZFOOMWDMMDPT-LEOABGAYSA-N 2 1 252.446 3.118 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CSc3ccccc3C2)CCC[C@@H]1C[NH3+] ZINC001246569074 804417841 /nfs/dbraw/zinc/41/78/41/804417841.db2.gz PTFPGZYVCSIBBF-BMFZPTHFSA-N 2 1 290.476 3.010 20 0 CGADMP C[C@]1(F)CCCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246574087 804420193 /nfs/dbraw/zinc/42/01/93/804420193.db2.gz JUGZXKKQUZAEEK-GJZGRUSLSA-N 2 1 268.420 3.123 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@](C)(C[NH3+])CC1)C2 ZINC001246573960 804420872 /nfs/dbraw/zinc/42/08/72/804420872.db2.gz GZXZCBZOMRPTHH-PKOBYXMFSA-N 2 1 286.463 3.303 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576380 804422765 /nfs/dbraw/zinc/42/27/65/804422765.db2.gz JYCWZAKZOKLBQF-IAGOWNOFSA-N 2 1 278.415 3.161 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576380 804422771 /nfs/dbraw/zinc/42/27/71/804422771.db2.gz JYCWZAKZOKLBQF-IAGOWNOFSA-N 2 1 278.415 3.161 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001246577224 804423098 /nfs/dbraw/zinc/42/30/98/804423098.db2.gz NQEDQXWRHKJHNA-MAUKXSAKSA-N 2 1 290.426 3.134 20 0 CGADMP CCCC1CCC([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246579743 804424126 /nfs/dbraw/zinc/42/41/26/804424126.db2.gz KZYDYUYWQAOFFB-GPANFISMSA-N 2 1 270.436 3.498 20 0 CGADMP CCCC1CCC([N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246579743 804424128 /nfs/dbraw/zinc/42/41/28/804424128.db2.gz KZYDYUYWQAOFFB-GPANFISMSA-N 2 1 270.436 3.498 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001246582170 804425620 /nfs/dbraw/zinc/42/56/20/804425620.db2.gz GAVIQLNETUSTBW-USXIJHARSA-N 2 1 278.415 3.077 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001246582170 804425623 /nfs/dbraw/zinc/42/56/23/804425623.db2.gz GAVIQLNETUSTBW-USXIJHARSA-N 2 1 278.415 3.077 20 0 CGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246581644 804426487 /nfs/dbraw/zinc/42/64/87/804426487.db2.gz ZNXHMUMKYTVXTQ-QAPCUYQASA-N 2 1 290.451 3.077 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001246590054 804431910 /nfs/dbraw/zinc/43/19/10/804431910.db2.gz IBHZXSZNIMBMST-BQFCYCMXSA-N 2 1 274.452 3.375 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246595076 804436517 /nfs/dbraw/zinc/43/65/17/804436517.db2.gz XLFMTEFPKGYKGN-PFSRBDOWSA-N 2 1 256.409 3.107 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246595076 804436522 /nfs/dbraw/zinc/43/65/22/804436522.db2.gz XLFMTEFPKGYKGN-PFSRBDOWSA-N 2 1 256.409 3.107 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246606104 804442159 /nfs/dbraw/zinc/44/21/59/804442159.db2.gz RFLRKNLJNYDLPR-UHFFFAOYSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@H]1CC([NH+]2CCC3(CCCC[NH2+]3)CC2)C[C@H](C)C1 ZINC001246607759 804443533 /nfs/dbraw/zinc/44/35/33/804443533.db2.gz FGYPYAUXEFFDGI-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)C2 ZINC001246609473 804443751 /nfs/dbraw/zinc/44/37/51/804443751.db2.gz YQTVPYRYQSICPY-QUCCMNQESA-N 2 1 298.474 3.460 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246611479 804444959 /nfs/dbraw/zinc/44/49/59/804444959.db2.gz QCLBXRAYYDLXRG-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246611479 804444963 /nfs/dbraw/zinc/44/49/63/804444963.db2.gz QCLBXRAYYDLXRG-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246615003 804448155 /nfs/dbraw/zinc/44/81/55/804448155.db2.gz QQFWRRDSJYHEOE-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246616289 804450004 /nfs/dbraw/zinc/45/00/04/804450004.db2.gz GXWIWDSOUSYWLI-PBHICJAKSA-N 2 1 292.854 3.489 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246616289 804450005 /nfs/dbraw/zinc/45/00/05/804450005.db2.gz GXWIWDSOUSYWLI-PBHICJAKSA-N 2 1 292.854 3.489 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246620742 804453772 /nfs/dbraw/zinc/45/37/72/804453772.db2.gz OGNIBGQSXAVOOG-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246620744 804454074 /nfs/dbraw/zinc/45/40/74/804454074.db2.gz OGNIBGQSXAVOOG-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246622252 804455445 /nfs/dbraw/zinc/45/54/45/804455445.db2.gz QIQUYVADRXSXOO-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC(CCCCC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246623246 804455939 /nfs/dbraw/zinc/45/59/39/804455939.db2.gz KCYQITZIWHSLEL-GOSISDBHSA-N 2 1 295.515 3.153 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246624267 804457352 /nfs/dbraw/zinc/45/73/52/804457352.db2.gz ONASVWNWANAWFC-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246628238 804458380 /nfs/dbraw/zinc/45/83/80/804458380.db2.gz KPWVYCBDSUVIOV-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246630149 804460454 /nfs/dbraw/zinc/46/04/54/804460454.db2.gz HHQPULSDABDOKV-ZBFHGGJFSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246629721 804460828 /nfs/dbraw/zinc/46/08/28/804460828.db2.gz HKQLPTIABJUBKY-RTBURBONSA-N 2 1 286.463 3.329 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631794 804462674 /nfs/dbraw/zinc/46/26/74/804462674.db2.gz SPESOCAVJTZVDF-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246631793 804462730 /nfs/dbraw/zinc/46/27/30/804462730.db2.gz SPESOCAVJTZVDF-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246632451 804462773 /nfs/dbraw/zinc/46/27/73/804462773.db2.gz YJXTYMRTKLQURT-CEXWTWQISA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)CC[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246636246 804466357 /nfs/dbraw/zinc/46/63/57/804466357.db2.gz UITLHHCDFSZKIC-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001246643028 804470692 /nfs/dbraw/zinc/47/06/92/804470692.db2.gz PRSFIHUOCAWTJX-OAHLLOKOSA-N 2 1 272.436 3.008 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCCC23CC[NH2+]CC3)CC(C)(C)C1 ZINC001246643564 804470998 /nfs/dbraw/zinc/47/09/98/804470998.db2.gz HXIAQFAIFJTRPQ-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC001246645763 804473621 /nfs/dbraw/zinc/47/36/21/804473621.db2.gz LQGVCILTPBAVIF-UHFFFAOYSA-N 2 1 250.430 3.014 20 0 CGADMP CCCC[C@@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246646744 804474156 /nfs/dbraw/zinc/47/41/56/804474156.db2.gz QCIYPAKLNNEGJL-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP C1[NH2+]C[C@H]2C[N@@H+]([C@H]3CCCC4(CCCCC4)C3)CC[C@H]12 ZINC001246647257 804474798 /nfs/dbraw/zinc/47/47/98/804474798.db2.gz JLDPYCVRIYPRLS-IKGGRYGDSA-N 2 1 276.468 3.421 20 0 CGADMP C1[NH2+]C[C@H]2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)CC[C@H]12 ZINC001246647257 804474799 /nfs/dbraw/zinc/47/47/99/804474799.db2.gz JLDPYCVRIYPRLS-IKGGRYGDSA-N 2 1 276.468 3.421 20 0 CGADMP C1[NH2+]C[C@H]2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)CC[C@H]12 ZINC001246647259 804475583 /nfs/dbraw/zinc/47/55/83/804475583.db2.gz JLDPYCVRIYPRLS-IXDOHACOSA-N 2 1 276.468 3.421 20 0 CGADMP C1[NH2+]C[C@H]2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)CC[C@H]12 ZINC001246647259 804475587 /nfs/dbraw/zinc/47/55/87/804475587.db2.gz JLDPYCVRIYPRLS-IXDOHACOSA-N 2 1 276.468 3.421 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3CC[C@H]4C[NH2+][C@H]4C3)C2)cc1 ZINC001246649257 804476662 /nfs/dbraw/zinc/47/66/62/804476662.db2.gz XDEWTIJCSJDTHG-FJIDUMEYSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@H]4C[NH2+][C@H]4C3)C2)cc1 ZINC001246649257 804476664 /nfs/dbraw/zinc/47/66/64/804476664.db2.gz XDEWTIJCSJDTHG-FJIDUMEYSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@H]4C[NH2+][C@H]4C3)C2)cc1 ZINC001246649264 804477378 /nfs/dbraw/zinc/47/73/78/804477378.db2.gz XDEWTIJCSJDTHG-OWSLCNJRSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@H]4C[NH2+][C@H]4C3)C2)cc1 ZINC001246649264 804477383 /nfs/dbraw/zinc/47/73/83/804477383.db2.gz XDEWTIJCSJDTHG-OWSLCNJRSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)C2)cc1 ZINC001246653842 804480401 /nfs/dbraw/zinc/48/04/01/804480401.db2.gz AGIJDSKXOGONRD-YRXWBPOGSA-N 2 1 284.447 3.397 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657468 804481615 /nfs/dbraw/zinc/48/16/15/804481615.db2.gz MJZIVLRXLKISDC-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH+]2CCC3(CCCC3)CC2)CC[NH2+]1 ZINC001246657721 804482096 /nfs/dbraw/zinc/48/20/96/804482096.db2.gz PTTLSTRZTUFHCZ-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP C1C[N@@H+](C2CCCCCCC2)C2(C1)CC[NH2+]CC2 ZINC001246657727 804482118 /nfs/dbraw/zinc/48/21/18/804482118.db2.gz YGSWMXDFJOMQAQ-UHFFFAOYSA-N 2 1 250.430 3.317 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC001246657745 804482236 /nfs/dbraw/zinc/48/22/36/804482236.db2.gz IFNVPOZDNOQIOA-PCODVIEZSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC001246657745 804482238 /nfs/dbraw/zinc/48/22/38/804482238.db2.gz IFNVPOZDNOQIOA-PCODVIEZSA-N 2 1 298.474 3.472 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246660068 804484177 /nfs/dbraw/zinc/48/41/77/804484177.db2.gz OGKPIIOJFYVEEB-OTWHNJEPSA-N 2 1 286.463 3.472 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001246663445 804485198 /nfs/dbraw/zinc/48/51/98/804485198.db2.gz KGGWFHBUIUIWRP-JKIFEVAISA-N 2 1 290.838 3.011 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246666342 804486505 /nfs/dbraw/zinc/48/65/05/804486505.db2.gz JAUNQAFQIYMUAJ-QRVBRYPASA-N 2 1 286.463 3.329 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246664650 804486940 /nfs/dbraw/zinc/48/69/40/804486940.db2.gz NWTFIOFBIQCBQN-BRSBDYLESA-N 2 1 270.420 3.136 20 0 CGADMP C1[NH2+]C[C@H]2CC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]12 ZINC001246666416 804487237 /nfs/dbraw/zinc/48/72/37/804487237.db2.gz JLDPYCVRIYPRLS-BRWVUGGUSA-N 2 1 276.468 3.421 20 0 CGADMP C1[NH2+]C[C@H]2CC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]12 ZINC001246666416 804487241 /nfs/dbraw/zinc/48/72/41/804487241.db2.gz JLDPYCVRIYPRLS-BRWVUGGUSA-N 2 1 276.468 3.421 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246676298 804491509 /nfs/dbraw/zinc/49/15/09/804491509.db2.gz ZAAPOKMMEJYZER-UHOSZYNNSA-N 2 1 286.463 3.428 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001246683162 804495588 /nfs/dbraw/zinc/49/55/88/804495588.db2.gz ZTGCTCHUCKYCAL-OAHLLOKOSA-N 2 1 274.452 3.111 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246687864 804497928 /nfs/dbraw/zinc/49/79/28/804497928.db2.gz XMCYZOXUYBOEGI-XMTFNYHQSA-N 2 1 294.483 3.188 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC001246693949 804499704 /nfs/dbraw/zinc/49/97/04/804499704.db2.gz UGUBBDZAMJKJMX-JTQLQIEISA-N 2 1 275.223 3.423 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC001246693949 804499708 /nfs/dbraw/zinc/49/97/08/804499708.db2.gz UGUBBDZAMJKJMX-JTQLQIEISA-N 2 1 275.223 3.423 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CC[NH2+]1 ZINC001246728456 804500423 /nfs/dbraw/zinc/50/04/23/804500423.db2.gz KBULCGMIWWBDCN-XDNAFOTISA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccccc1C[N@H+](C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246770232 804503324 /nfs/dbraw/zinc/50/33/24/804503324.db2.gz NSJZXAHKWJSXFJ-WBVHZDCISA-N 2 1 290.451 3.294 20 0 CGADMP COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246770232 804503330 /nfs/dbraw/zinc/50/33/30/804503330.db2.gz NSJZXAHKWJSXFJ-WBVHZDCISA-N 2 1 290.451 3.294 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246779475 804506379 /nfs/dbraw/zinc/50/63/79/804506379.db2.gz HUXWDHPWTQIVER-DLBZAZTESA-N 2 1 260.425 3.069 20 0 CGADMP CCCC[N@@H+](CCC)C1CCC2(CC[NH2+]C2)CC1 ZINC001246778517 804506935 /nfs/dbraw/zinc/50/69/35/804506935.db2.gz PQMLFXBWQUBLII-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246781271 804508492 /nfs/dbraw/zinc/50/84/92/804508492.db2.gz FAUBBLLRWMDFRE-DFGXFYAUSA-N 2 1 288.435 3.059 20 0 CGADMP C[N@@H+]([C@H]1CCCCNC1)C12CC3CC(CC(C3)C1)C2 ZINC001246784981 804510419 /nfs/dbraw/zinc/51/04/19/804510419.db2.gz HSIJXRZGVFMKJL-KLZNEWFBSA-N 2 1 262.441 3.029 20 0 CGADMP CN([C@H]1CCCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001246784981 804510423 /nfs/dbraw/zinc/51/04/23/804510423.db2.gz HSIJXRZGVFMKJL-KLZNEWFBSA-N 2 1 262.441 3.029 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246786389 804511037 /nfs/dbraw/zinc/51/10/37/804511037.db2.gz ONXOEPYVWNJKHC-SOLBZPMBSA-N 2 1 288.435 3.060 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246792929 804515470 /nfs/dbraw/zinc/51/54/70/804515470.db2.gz SLILVPNCHOGMKB-KZNAEPCWSA-N 2 1 272.436 3.082 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001246796821 804518779 /nfs/dbraw/zinc/51/87/79/804518779.db2.gz MMQXFJNEUMNFJY-INIZCTEOSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246799946 804521144 /nfs/dbraw/zinc/52/11/44/804521144.db2.gz PMVLCRFUTQEKGD-DAXOMENPSA-N 2 1 262.372 3.103 20 0 CGADMP c1[nH]c2ccncc2c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001140807450 804523518 /nfs/dbraw/zinc/52/35/18/804523518.db2.gz ZOVPRPKVLPHKJT-CQSZACIVSA-N 2 1 292.386 3.338 20 0 CGADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001140807450 804523520 /nfs/dbraw/zinc/52/35/20/804523520.db2.gz ZOVPRPKVLPHKJT-CQSZACIVSA-N 2 1 292.386 3.338 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001140807450 804523529 /nfs/dbraw/zinc/52/35/29/804523529.db2.gz ZOVPRPKVLPHKJT-CQSZACIVSA-N 2 1 292.386 3.338 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001140807450 804523534 /nfs/dbraw/zinc/52/35/34/804523534.db2.gz ZOVPRPKVLPHKJT-CQSZACIVSA-N 2 1 292.386 3.338 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246814721 804529998 /nfs/dbraw/zinc/52/99/98/804529998.db2.gz RIZPLVFYRXJOGJ-ZWKOTPCHSA-N 2 1 274.452 3.185 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001246813376 804530344 /nfs/dbraw/zinc/53/03/44/804530344.db2.gz JAUNLTMUWNXMBU-PIIMJCKOSA-N 2 1 272.436 3.142 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246814810 804530622 /nfs/dbraw/zinc/53/06/22/804530622.db2.gz SKPAXTABICILCL-CABCVRRESA-N 2 1 266.454 3.491 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246814810 804530627 /nfs/dbraw/zinc/53/06/27/804530627.db2.gz SKPAXTABICILCL-CABCVRRESA-N 2 1 266.454 3.491 20 0 CGADMP CC[C@H]1CC([N@@H+]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246816895 804531515 /nfs/dbraw/zinc/53/15/15/804531515.db2.gz MMUWYAPPRZUCMT-HOTGVXAUSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@H]1CC([N@H+]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246816895 804531517 /nfs/dbraw/zinc/53/15/17/804531517.db2.gz MMUWYAPPRZUCMT-HOTGVXAUSA-N 2 1 276.399 3.451 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246822671 804537538 /nfs/dbraw/zinc/53/75/38/804537538.db2.gz MIZQSLDOJJEIQE-UWWQBHOKSA-N 2 1 288.435 3.363 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246835497 804544560 /nfs/dbraw/zinc/54/45/60/804544560.db2.gz TXMHMNOHEANJLC-GDBMZVCRSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@@H]1c2cccn2CC[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246839087 804548496 /nfs/dbraw/zinc/54/84/96/804548496.db2.gz HLSMVAHQMXIVTA-OAHLLOKOSA-N 2 1 287.451 3.177 20 0 CGADMP C[C@@H]1c2cccn2CC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246839087 804548500 /nfs/dbraw/zinc/54/85/00/804548500.db2.gz HLSMVAHQMXIVTA-OAHLLOKOSA-N 2 1 287.451 3.177 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246842526 804549818 /nfs/dbraw/zinc/54/98/18/804549818.db2.gz CFLHLJIRAOEZKC-QKPAOTATSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246841026 804550778 /nfs/dbraw/zinc/55/07/78/804550778.db2.gz SDDHCTQGACVITA-YWVIFJGQSA-N 2 1 264.388 3.177 20 0 CGADMP C1CC2(C1)C[C@H]([N@@H+]1CCC[C@@H]3CCCC[C@H]31)CC[NH2+]2 ZINC001246841341 804550972 /nfs/dbraw/zinc/55/09/72/804550972.db2.gz YSNXOQBRYKPHFC-ARFHVFGLSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)C[C@H]([N@H+]1CCC[C@@H]3CCCC[C@H]31)CC[NH2+]2 ZINC001246841341 804550974 /nfs/dbraw/zinc/55/09/74/804550974.db2.gz YSNXOQBRYKPHFC-ARFHVFGLSA-N 2 1 262.441 3.316 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246844623 804553943 /nfs/dbraw/zinc/55/39/43/804553943.db2.gz ZTJNUXHEACYEFP-CXAGYDPISA-N 2 1 292.854 3.129 20 0 CGADMP CC[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246848223 804558973 /nfs/dbraw/zinc/55/89/73/804558973.db2.gz MYGYYSYUBQWROJ-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP C1[C@H]2C[NH2+]CC[C@@H]2C[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849305 804560306 /nfs/dbraw/zinc/56/03/06/804560306.db2.gz ZPWFZAZVRSCURZ-HZPDHXFCSA-N 2 1 276.468 3.421 20 0 CGADMP Clc1cccc([C@@H]2CC[N@H+]([C@H]3CCC[NH2+]CC3)C2)c1 ZINC001246850601 804560687 /nfs/dbraw/zinc/56/06/87/804560687.db2.gz JKGDQWOHZDHBKY-ZBFHGGJFSA-N 2 1 278.827 3.271 20 0 CGADMP c1ccc(C2=CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246859223 804565085 /nfs/dbraw/zinc/56/50/85/804565085.db2.gz MMFULTOGFOJCNY-JWTNVVGKSA-N 2 1 268.404 3.059 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246861341 804565099 /nfs/dbraw/zinc/56/50/99/804565099.db2.gz JKHLGCSJRSNPSX-INIZCTEOSA-N 2 1 276.399 3.322 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001246861808 804565743 /nfs/dbraw/zinc/56/57/43/804565743.db2.gz DZCBRVCGCOELFK-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP c1ccc(C2=CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246862206 804566325 /nfs/dbraw/zinc/56/63/25/804566325.db2.gz VTHXXHFGLNUTJQ-BWTSREIZSA-N 2 1 282.431 3.449 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC001246859945 804566627 /nfs/dbraw/zinc/56/66/27/804566627.db2.gz MVUQIBMMZSDUDA-ROUUACIJSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246867674 804569379 /nfs/dbraw/zinc/56/93/79/804569379.db2.gz IKTQJEUSQRMFKT-VIBAHUMZSA-N 2 1 270.420 3.106 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246867677 804569711 /nfs/dbraw/zinc/56/97/11/804569711.db2.gz IKTQJEUSQRMFKT-ZSGPHXLJSA-N 2 1 270.420 3.106 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246875227 804575340 /nfs/dbraw/zinc/57/53/40/804575340.db2.gz ZIYLBHCWBUOFNS-QZTJIDSGSA-N 2 1 295.515 3.233 20 0 CGADMP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CCCCCC2)C3)cc1 ZINC001246881580 804578025 /nfs/dbraw/zinc/57/80/25/804578025.db2.gz VAKMCTLSDOEGPQ-MJGOQNOKSA-N 2 1 284.447 3.182 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001246888015 804581877 /nfs/dbraw/zinc/58/18/77/804581877.db2.gz QCNZDKVRAMVDPC-DOMZBBRYSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001246888015 804581882 /nfs/dbraw/zinc/58/18/82/804581882.db2.gz QCNZDKVRAMVDPC-DOMZBBRYSA-N 2 1 266.816 3.475 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H](C)CC23CC3)CC[NH2+]1 ZINC001246892758 804583822 /nfs/dbraw/zinc/58/38/22/804583822.db2.gz IRCWATGDAWXRSQ-RRFJBIMHSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246901542 804588765 /nfs/dbraw/zinc/58/87/65/804588765.db2.gz NYLFGXZXXBAKOX-DOMZBBRYSA-N 2 1 266.816 3.302 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246918243 804599074 /nfs/dbraw/zinc/59/90/74/804599074.db2.gz CSUGIOPXYOIMGJ-TWMKSMIVSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246918243 804599077 /nfs/dbraw/zinc/59/90/77/804599077.db2.gz CSUGIOPXYOIMGJ-TWMKSMIVSA-N 2 1 264.457 3.418 20 0 CGADMP CCCCCC[C@H](CCCC)[N@@H+]1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001246922026 804601699 /nfs/dbraw/zinc/60/16/99/804601699.db2.gz UGSNKGHPUWIAMV-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001246924133 804603795 /nfs/dbraw/zinc/60/37/95/804603795.db2.gz ZCIMFWVVGFTCNT-GPANFISMSA-N 2 1 290.426 3.145 20 0 CGADMP CCOCC[C@@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924880 804604417 /nfs/dbraw/zinc/60/44/17/804604417.db2.gz NIEHVCXPTULHGH-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP CCOCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924880 804604420 /nfs/dbraw/zinc/60/44/20/804604420.db2.gz NIEHVCXPTULHGH-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP CC(C)C1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246935396 804608192 /nfs/dbraw/zinc/60/81/92/804608192.db2.gz UXNBCAWLFVJJMU-HPZPOOBXSA-N 2 1 264.457 3.133 20 0 CGADMP C1CC2(C1)CCC[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246939903 804610355 /nfs/dbraw/zinc/61/03/55/804610355.db2.gz HQMDOLWHLBOIMB-WBVHZDCISA-N 2 1 262.441 3.175 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246941393 804610647 /nfs/dbraw/zinc/61/06/47/804610647.db2.gz JSTWSXCNLPNZNV-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCCC3(CCC3)C2)CC[NH2+]1 ZINC001246941940 804612516 /nfs/dbraw/zinc/61/25/16/804612516.db2.gz MRYLMGRVSPHQNY-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP CCCCCC1CCC([N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246946773 804614152 /nfs/dbraw/zinc/61/41/52/804614152.db2.gz HUXJQTSOROQGKD-NDQLQDMOSA-N 2 1 264.457 3.275 20 0 CGADMP CCOCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246948987 804616835 /nfs/dbraw/zinc/61/68/35/804616835.db2.gz HHPOMFDEEBNAHX-DOTOQJQBSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001246959969 804618437 /nfs/dbraw/zinc/61/84/37/804618437.db2.gz KIJIKVXPIDMQAY-CQSZACIVSA-N 2 1 278.415 3.487 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246964959 804619400 /nfs/dbraw/zinc/61/94/00/804619400.db2.gz DPEAKLKZURCGHF-RTBURBONSA-N 2 1 284.447 3.275 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(Cl)c(C)c1 ZINC001141237383 804621219 /nfs/dbraw/zinc/62/12/19/804621219.db2.gz QMOJIAGGGVEGNV-UHFFFAOYSA-N 2 1 277.799 3.367 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246972920 804622291 /nfs/dbraw/zinc/62/22/91/804622291.db2.gz GJGJMOGUINTHSQ-NUEKZKHPSA-N 2 1 252.446 3.405 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC(CC)CC1 ZINC001246977636 804625408 /nfs/dbraw/zinc/62/54/08/804625408.db2.gz SHMXXIUKRHGVID-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246978534 804625703 /nfs/dbraw/zinc/62/57/03/804625703.db2.gz VWXDFFJNRBHWGH-IFXMJZAHSA-N 2 1 296.817 3.079 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001246981797 804627243 /nfs/dbraw/zinc/62/72/43/804627243.db2.gz XUUUYHBFYCEBGZ-WMZOPIPTSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247001555 804634257 /nfs/dbraw/zinc/63/42/57/804634257.db2.gz JLEAMBAMMYJPPQ-DOTOQJQBSA-N 2 1 284.447 3.312 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)CCc1ccc(C(F)(F)F)cc1 ZINC001247003650 804636092 /nfs/dbraw/zinc/63/60/92/804636092.db2.gz XFQXNWRLIWERCN-LBPRGKRZSA-N 2 1 288.357 3.178 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC001141472967 804645749 /nfs/dbraw/zinc/64/57/49/804645749.db2.gz SLZICRBHXLQVIJ-UHFFFAOYSA-N 2 1 283.419 3.069 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC001141472967 804645751 /nfs/dbraw/zinc/64/57/51/804645751.db2.gz SLZICRBHXLQVIJ-UHFFFAOYSA-N 2 1 283.419 3.069 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256829997 806988312 /nfs/dbraw/zinc/98/83/12/806988312.db2.gz MRBAVUVGSUGBLH-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccc2c(C[NH+]3CCC([NH+]4CCC4)CC3)cccc2n1 ZINC001248577954 804957056 /nfs/dbraw/zinc/95/70/56/804957056.db2.gz VVXKNWBGUHYZKM-UHFFFAOYSA-N 2 1 295.430 3.213 20 0 CGADMP CC(C)C[N@H+](C1C[C@@H](C)O[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257086024 807048613 /nfs/dbraw/zinc/04/86/13/807048613.db2.gz WOISSRLGNDPSRJ-KLHDSHLOSA-N 2 1 282.472 3.170 20 0 CGADMP CC[N@@H+](C)C1CCN(Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249525818 805166424 /nfs/dbraw/zinc/16/64/24/805166424.db2.gz DGIPQJSDQHTLIH-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(C)c1Cl ZINC001250190187 805478016 /nfs/dbraw/zinc/47/80/16/805478016.db2.gz PGOKCUTYTKUJBP-UHFFFAOYSA-N 2 1 268.832 3.340 20 0 CGADMP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)c(C)c1Cl ZINC001250190187 805478020 /nfs/dbraw/zinc/47/80/20/805478020.db2.gz PGOKCUTYTKUJBP-UHFFFAOYSA-N 2 1 268.832 3.340 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2ccccc21 ZINC001155019012 805523879 /nfs/dbraw/zinc/52/38/79/805523879.db2.gz BUXJAQLYFFAWFV-ZFWWWQNUSA-N 2 1 269.392 3.282 20 0 CGADMP CC(C)(C)c1ccc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]c1 ZINC001155123775 805542962 /nfs/dbraw/zinc/54/29/62/805542962.db2.gz IMDCDEYMVFLHJZ-MRXNPFEDSA-N 2 1 279.403 3.273 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860560 806992325 /nfs/dbraw/zinc/99/23/25/806992325.db2.gz FMFLYJRTZGVUKW-OAHLLOKOSA-N 2 1 273.424 3.315 20 0 CGADMP c1cc(N2CCC([N@H+]3CCC4(CCCC4)C3)CC2)cc[nH+]1 ZINC001256861362 806993418 /nfs/dbraw/zinc/99/34/18/806993418.db2.gz ZFFTUYMIEGZTNH-UHFFFAOYSA-N 2 1 285.435 3.317 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001257214947 807062107 /nfs/dbraw/zinc/06/21/07/807062107.db2.gz OWBIOYCXIAJKCX-QGZVFWFLSA-N 2 1 272.436 3.349 20 0 CGADMP CC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001257439697 807157200 /nfs/dbraw/zinc/15/72/00/807157200.db2.gz KODYVPNHSBLVOU-CGTJXYLNSA-N 2 1 272.436 3.157 20 0 CGADMP CC[C@@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001257442433 807157952 /nfs/dbraw/zinc/15/79/52/807157952.db2.gz CJDALUYBHPQKJZ-OAHLLOKOSA-N 2 1 272.436 3.308 20 0 CGADMP CC[C@@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001257442433 807157956 /nfs/dbraw/zinc/15/79/56/807157956.db2.gz CJDALUYBHPQKJZ-OAHLLOKOSA-N 2 1 272.436 3.308 20 0 CGADMP Cc1c[nH+]c(N2C(C)(C)CC([NH3+])CC2(C)C)c2[nH]ccc21 ZINC001167625511 807219287 /nfs/dbraw/zinc/21/92/87/807219287.db2.gz JYZNBWLXLKVHIU-UHFFFAOYSA-N 2 1 286.423 3.356 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1cc(OC(C)(C)C)cc[nH+]1 ZINC001167787969 807252191 /nfs/dbraw/zinc/25/21/91/807252191.db2.gz LLGMGCLCEMBMDB-UHFFFAOYSA-N 2 1 286.379 3.157 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1C(C)(C)OC ZINC001167827474 807255523 /nfs/dbraw/zinc/25/55/23/807255523.db2.gz WOUICTNIQDWBAA-HOTGVXAUSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](CF)C1 ZINC001167824336 807255719 /nfs/dbraw/zinc/25/57/19/807255719.db2.gz DMSVJKVZCMEXBI-HUUCEWRRSA-N 2 1 258.425 3.178 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C2CCCC2)CC1 ZINC001167825437 807256498 /nfs/dbraw/zinc/25/64/98/807256498.db2.gz IZZQIXNMNGFMKD-KRWDZBQOSA-N 2 1 295.515 3.057 20 0 CGADMP COCc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC001258008369 807264086 /nfs/dbraw/zinc/26/40/86/807264086.db2.gz PDKYRKGNVRGDJM-UHFFFAOYSA-N 2 1 290.451 3.043 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](C)C[C@H]2C)CC1 ZINC001258016281 807266999 /nfs/dbraw/zinc/26/69/99/807266999.db2.gz FWKIUBLJJIVBIM-HUUCEWRRSA-N 2 1 252.446 3.227 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258074295 807290683 /nfs/dbraw/zinc/29/06/83/807290683.db2.gz IYLMLCANDRIDGP-CABCVRRESA-N 2 1 263.429 3.202 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258074295 807290688 /nfs/dbraw/zinc/29/06/88/807290688.db2.gz IYLMLCANDRIDGP-CABCVRRESA-N 2 1 263.429 3.202 20 0 CGADMP FC1(F)C[C@@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995696 807293963 /nfs/dbraw/zinc/29/39/63/807293963.db2.gz OHQSTXJXMATKLO-VFSICIBPSA-N 2 1 296.405 3.123 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258076980 807294563 /nfs/dbraw/zinc/29/45/63/807294563.db2.gz USBCNJNIEPVUAY-LVQVYYBASA-N 2 1 250.430 3.336 20 0 CGADMP c1cc2c(o1)CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168003267 807297852 /nfs/dbraw/zinc/29/78/52/807297852.db2.gz MOPRLIQJMRDMEB-SJPCQFCGSA-N 2 1 286.419 3.043 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168093530 807309357 /nfs/dbraw/zinc/30/93/57/807309357.db2.gz NGMVJNFIZWVUCQ-LAQRGFTBSA-N 2 1 294.483 3.459 20 0 CGADMP F[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258135081 807320625 /nfs/dbraw/zinc/32/06/25/807320625.db2.gz JWXJOIICWXGUAP-QAQDUYKDSA-N 2 1 290.426 3.031 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1C[C@H](C)C[C@@H](C)C1 ZINC001258170323 807335782 /nfs/dbraw/zinc/33/57/82/807335782.db2.gz JFSWIWLVXSKZRF-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001168192015 807344236 /nfs/dbraw/zinc/34/42/36/807344236.db2.gz LIBLVLUGPKZFRY-AWEZNQCLSA-N 2 1 292.854 3.441 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)Cc2ccco2)CC1 ZINC001258187195 807351915 /nfs/dbraw/zinc/35/19/15/807351915.db2.gz CRNIVTWIGJOWEG-CQSZACIVSA-N 2 1 299.418 3.153 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001168329175 807386432 /nfs/dbraw/zinc/38/64/32/807386432.db2.gz OIIQCDXZJAIUQL-NUWOQIAWSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168358941 807391998 /nfs/dbraw/zinc/39/19/98/807391998.db2.gz ZEYGTZOUADNJEA-IBGZPJMESA-N 2 1 299.462 3.305 20 0 CGADMP C[C@]1(F)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373425 807396136 /nfs/dbraw/zinc/39/61/36/807396136.db2.gz RQKRRQGOVPABQD-INIZCTEOSA-N 2 1 268.420 3.075 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258447715 807456113 /nfs/dbraw/zinc/45/61/13/807456113.db2.gz VYEBKAHNROVSMC-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258663362 807532335 /nfs/dbraw/zinc/53/23/35/807532335.db2.gz RFNOJOHKQBWQHP-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258663362 807532340 /nfs/dbraw/zinc/53/23/40/807532340.db2.gz RFNOJOHKQBWQHP-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258663362 807532343 /nfs/dbraw/zinc/53/23/43/807532343.db2.gz RFNOJOHKQBWQHP-RTBURBONSA-N 2 1 286.463 3.425 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1c(F)cccc1Cl)C2 ZINC001169081293 807568733 /nfs/dbraw/zinc/56/87/33/807568733.db2.gz PZJZMJXSQVBBQL-XYYAHUGASA-N 2 1 296.817 3.236 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncccc1C ZINC001169090642 807571047 /nfs/dbraw/zinc/57/10/47/807571047.db2.gz JYSJKXKCPZFKLP-QKPAOTATSA-N 2 1 273.424 3.056 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001169090642 807571052 /nfs/dbraw/zinc/57/10/52/807571052.db2.gz JYSJKXKCPZFKLP-QKPAOTATSA-N 2 1 273.424 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1N1CCCC1)C2 ZINC001169093151 807573330 /nfs/dbraw/zinc/57/33/30/807573330.db2.gz FVDPTSWLHZGVCH-NNZMDNLPSA-N 2 1 299.462 3.002 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)C2 ZINC001169095749 807573979 /nfs/dbraw/zinc/57/39/79/807573979.db2.gz SPOQYWLORASFNO-ZSOGYDGISA-N 2 1 296.361 3.003 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001169095339 807574347 /nfs/dbraw/zinc/57/43/47/807574347.db2.gz PTSZIVGZDVYCTM-BJWYYQGGSA-N 2 1 258.409 3.018 20 0 CGADMP C[C@@H]([NH3+])Cc1cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169108921 807578693 /nfs/dbraw/zinc/57/86/93/807578693.db2.gz WDODEHVGXCBYMY-MXASKKJJSA-N 2 1 297.446 3.329 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)C2 ZINC001169109119 807578976 /nfs/dbraw/zinc/57/89/76/807578976.db2.gz YPYSSXJMMOCYCN-ZJPYXAASSA-N 2 1 288.410 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCc3ccccc3C1)C2 ZINC001169115302 807580760 /nfs/dbraw/zinc/58/07/60/807580760.db2.gz IIRRYOKVLGRZEG-FZDIXFNVSA-N 2 1 284.447 3.006 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCCC1(C)C)C2 ZINC001169115277 807581007 /nfs/dbraw/zinc/58/10/07/807581007.db2.gz IAIGQQPXYRZOAU-XQLPTFJDSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C)CCC(F)(F)CC1)C2 ZINC001169118526 807583338 /nfs/dbraw/zinc/58/33/38/807583338.db2.gz JQWNNJGUNGUEEJ-ZSOGYDGISA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126572 807584492 /nfs/dbraw/zinc/58/44/92/807584492.db2.gz WSJFKAYBLHKXNK-LLLHUVSDSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126572 807584497 /nfs/dbraw/zinc/58/44/97/807584497.db2.gz WSJFKAYBLHKXNK-LLLHUVSDSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126572 807584501 /nfs/dbraw/zinc/58/45/01/807584501.db2.gz WSJFKAYBLHKXNK-LLLHUVSDSA-N 2 1 270.420 3.231 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001169123656 807585289 /nfs/dbraw/zinc/58/52/89/807585289.db2.gz LXACOYZJQABJKB-QEOTZNIISA-N 2 1 290.838 3.411 20 0 CGADMP Cc1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001169137232 807587327 /nfs/dbraw/zinc/58/73/27/807587327.db2.gz JDLVDLUXAAFJJF-XJKSGUPXSA-N 2 1 276.428 3.049 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141448 807587975 /nfs/dbraw/zinc/58/79/75/807587975.db2.gz QNOCENJGTBCCAY-JONQDZQNSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141448 807587979 /nfs/dbraw/zinc/58/79/79/807587979.db2.gz QNOCENJGTBCCAY-JONQDZQNSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141448 807587983 /nfs/dbraw/zinc/58/79/83/807587983.db2.gz QNOCENJGTBCCAY-JONQDZQNSA-N 2 1 288.410 3.240 20 0 CGADMP CCC[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139908 807589134 /nfs/dbraw/zinc/58/91/34/807589134.db2.gz GAHXTAPIMAYXFI-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139908 807589138 /nfs/dbraw/zinc/58/91/38/807589138.db2.gz GAHXTAPIMAYXFI-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139908 807589144 /nfs/dbraw/zinc/58/91/44/807589144.db2.gz GAHXTAPIMAYXFI-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139908 807589151 /nfs/dbraw/zinc/58/91/51/807589151.db2.gz GAHXTAPIMAYXFI-JONQDZQNSA-N 2 1 250.430 3.266 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143532 807591221 /nfs/dbraw/zinc/59/12/21/807591221.db2.gz GBWAEIVYXSWAQM-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143532 807591223 /nfs/dbraw/zinc/59/12/23/807591223.db2.gz GBWAEIVYXSWAQM-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143532 807591226 /nfs/dbraw/zinc/59/12/26/807591226.db2.gz GBWAEIVYXSWAQM-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP CNc1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c[nH+]1 ZINC001169145346 807592008 /nfs/dbraw/zinc/59/20/08/807592008.db2.gz OVIMZMCAQMNMCU-BBRMVZONSA-N 2 1 276.428 3.079 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccncc1 ZINC001258769170 807604024 /nfs/dbraw/zinc/60/40/24/807604024.db2.gz DUUJQGJALXTYQW-QGZVFWFLSA-N 2 1 275.440 3.387 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2ccccc2OC)CC1 ZINC001169242175 807612957 /nfs/dbraw/zinc/61/29/57/807612957.db2.gz YBGGXTCZXXYPHJ-UHFFFAOYSA-N 2 1 290.451 3.090 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001169258777 807616729 /nfs/dbraw/zinc/61/67/29/807616729.db2.gz RQJYKOVHQCUILT-CQSZACIVSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001169258777 807616733 /nfs/dbraw/zinc/61/67/33/807616733.db2.gz RQJYKOVHQCUILT-CQSZACIVSA-N 2 1 276.399 3.099 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](CC)CC1 ZINC001169264571 807617826 /nfs/dbraw/zinc/61/78/26/807617826.db2.gz INDUUXBBEVTRBC-SFHVURJKSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1C1CC[NH+](CC)CC1 ZINC001169264571 807617828 /nfs/dbraw/zinc/61/78/28/807617828.db2.gz INDUUXBBEVTRBC-SFHVURJKSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001169266147 807619479 /nfs/dbraw/zinc/61/94/79/807619479.db2.gz SRIHZYLZAKQQQT-UHFFFAOYSA-N 2 1 270.420 3.260 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001169266147 807619482 /nfs/dbraw/zinc/61/94/82/807619482.db2.gz SRIHZYLZAKQQQT-UHFFFAOYSA-N 2 1 270.420 3.260 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC001258814547 807632053 /nfs/dbraw/zinc/63/20/53/807632053.db2.gz PTJFGKJZOUUNSF-ZNMIVQPWSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC001258814547 807632056 /nfs/dbraw/zinc/63/20/56/807632056.db2.gz PTJFGKJZOUUNSF-ZNMIVQPWSA-N 2 1 252.446 3.418 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001258897778 807667887 /nfs/dbraw/zinc/66/78/87/807667887.db2.gz CFNAEBBBFQARBC-QGZVFWFLSA-N 3 1 297.531 3.480 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001258908315 807672410 /nfs/dbraw/zinc/67/24/10/807672410.db2.gz UOIOZJOTAQTDRU-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC001258907625 807672466 /nfs/dbraw/zinc/67/24/66/807672466.db2.gz LLDDJHPWEIXPKH-QGZVFWFLSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cccc(O)c1 ZINC001258908645 807672806 /nfs/dbraw/zinc/67/28/06/807672806.db2.gz ZMCHHFWCTKMWGW-OAHLLOKOSA-N 2 1 278.440 3.335 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001258908029 807672966 /nfs/dbraw/zinc/67/29/66/807672966.db2.gz QGZMCRNTVTUZPG-RRFJBIMHSA-N 2 1 276.415 3.269 20 0 CGADMP Cc1[nH+]c2ccc(-n3ccc(C[NH3+])c3)cc2n1C(C)C ZINC001169725213 807698543 /nfs/dbraw/zinc/69/85/43/807698543.db2.gz BPYZYEJBSJIOOW-UHFFFAOYSA-N 2 1 268.364 3.175 20 0 CGADMP C=C/C=C\CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001169900036 807722546 /nfs/dbraw/zinc/72/25/46/807722546.db2.gz LEYPDHKXOFTRDN-FANKGXDISA-N 2 1 282.431 3.183 20 0 CGADMP C=C/C=C\CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169900036 807722549 /nfs/dbraw/zinc/72/25/49/807722549.db2.gz LEYPDHKXOFTRDN-FANKGXDISA-N 2 1 282.431 3.183 20 0 CGADMP C=C/C=C\CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169900036 807722553 /nfs/dbraw/zinc/72/25/53/807722553.db2.gz LEYPDHKXOFTRDN-FANKGXDISA-N 2 1 282.431 3.183 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001170116683 807762477 /nfs/dbraw/zinc/76/24/77/807762477.db2.gz FUALETXCQDKPGQ-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001170116683 807762482 /nfs/dbraw/zinc/76/24/82/807762482.db2.gz FUALETXCQDKPGQ-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc(OCC[N@@H+](C)Cc2ccc(F)cc2)cc[nH+]1 ZINC001261834328 807792031 /nfs/dbraw/zinc/79/20/31/807792031.db2.gz GLTFWBAOMLLZOJ-UHFFFAOYSA-N 2 1 274.339 3.040 20 0 CGADMP Cc1cc(OCC[N@H+](C)Cc2ccc(F)cc2)cc[nH+]1 ZINC001261834328 807792034 /nfs/dbraw/zinc/79/20/34/807792034.db2.gz GLTFWBAOMLLZOJ-UHFFFAOYSA-N 2 1 274.339 3.040 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170950399 807943017 /nfs/dbraw/zinc/94/30/17/807943017.db2.gz RPJRCVSVFJHJRD-INIZCTEOSA-N 2 1 292.442 3.395 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170950399 807943022 /nfs/dbraw/zinc/94/30/22/807943022.db2.gz RPJRCVSVFJHJRD-INIZCTEOSA-N 2 1 292.442 3.395 20 0 CGADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138437 807996441 /nfs/dbraw/zinc/99/64/41/807996441.db2.gz DKZFPZGKCVBBOG-LLVKDONJSA-N 2 1 287.234 3.178 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1NCC(C)(C)[NH3+] ZINC001171195638 808006217 /nfs/dbraw/zinc/00/62/17/808006217.db2.gz YQBNVNKZJVWOMH-UHFFFAOYSA-N 2 1 261.413 3.135 20 0 CGADMP CC[N@@H+](C)C1CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171443181 808059001 /nfs/dbraw/zinc/05/90/01/808059001.db2.gz YJZHXJUKBUYBGD-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171443181 808059010 /nfs/dbraw/zinc/05/90/10/808059010.db2.gz YJZHXJUKBUYBGD-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171443181 808059015 /nfs/dbraw/zinc/05/90/15/808059015.db2.gz YJZHXJUKBUYBGD-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP C[NH+]1C(C)(C)CC([NH+]2CC(c3cccnc3)C2)CC1(C)C ZINC001171639578 808110856 /nfs/dbraw/zinc/11/08/56/808110856.db2.gz PPZPSPRLGFXOKH-UHFFFAOYSA-N 2 1 287.451 3.132 20 0 CGADMP CO[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171639752 808111498 /nfs/dbraw/zinc/11/14/98/808111498.db2.gz RSGIOFNCSLUCFV-OAHLLOKOSA-N 2 1 282.472 3.139 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C2 ZINC001172099047 808172296 /nfs/dbraw/zinc/17/22/96/808172296.db2.gz HXDJDOQMMNZXQR-YIYPIFLZSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112507 808178352 /nfs/dbraw/zinc/17/83/52/808178352.db2.gz WQCUXQSEZAGAGE-BMFAXAFESA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112507 808178355 /nfs/dbraw/zinc/17/83/55/808178355.db2.gz WQCUXQSEZAGAGE-BMFAXAFESA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cnccc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112509 808178531 /nfs/dbraw/zinc/17/85/31/808178531.db2.gz WQCUXQSEZAGAGE-VXIBKDFQSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cnccc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112509 808178534 /nfs/dbraw/zinc/17/85/34/808178534.db2.gz WQCUXQSEZAGAGE-VXIBKDFQSA-N 2 1 299.462 3.446 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc3cccnc31)C2 ZINC001172109057 808178561 /nfs/dbraw/zinc/17/85/61/808178561.db2.gz GKJXRYAIJISJMO-NNZMDNLPSA-N 2 1 295.430 3.340 20 0 CGADMP Cc1cncc([C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172114028 808180149 /nfs/dbraw/zinc/18/01/49/808180149.db2.gz ODCDCOLNEWIIJV-FCGDIQPGSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cncc([C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172114028 808180150 /nfs/dbraw/zinc/18/01/50/808180150.db2.gz ODCDCOLNEWIIJV-FCGDIQPGSA-N 2 1 299.462 3.446 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c(CC[NH3+])cc3ccccc31)C2 ZINC001172117771 808180824 /nfs/dbraw/zinc/18/08/24/808180824.db2.gz MZVGIAFLLJZEFV-VQFNDLOPSA-N 2 1 297.446 3.330 20 0 CGADMP Cc1noc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc12 ZINC001172114289 808181273 /nfs/dbraw/zinc/18/12/73/808181273.db2.gz NAYMYQSUWSWUNC-MUJYYYPQSA-N 2 1 299.418 3.241 20 0 CGADMP C[N@H+](CCc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121081 808182395 /nfs/dbraw/zinc/18/23/95/808182395.db2.gz CGOOKXJJRJHGNG-PIIMJCKOSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121081 808182400 /nfs/dbraw/zinc/18/24/00/808182400.db2.gz CGOOKXJJRJHGNG-PIIMJCKOSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121081 808182406 /nfs/dbraw/zinc/18/24/06/808182406.db2.gz CGOOKXJJRJHGNG-PIIMJCKOSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121081 808182409 /nfs/dbraw/zinc/18/24/09/808182409.db2.gz CGOOKXJJRJHGNG-PIIMJCKOSA-N 2 1 290.426 3.315 20 0 CGADMP CCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122095 808183534 /nfs/dbraw/zinc/18/35/34/808183534.db2.gz XBOVSZDNOACGQD-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP CCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122095 808183535 /nfs/dbraw/zinc/18/35/35/808183535.db2.gz XBOVSZDNOACGQD-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128253 808184843 /nfs/dbraw/zinc/18/48/43/808184843.db2.gz QHHXEULWYZYAHJ-WQANXHIZSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128253 808184847 /nfs/dbraw/zinc/18/48/47/808184847.db2.gz QHHXEULWYZYAHJ-WQANXHIZSA-N 2 1 284.447 3.449 20 0 CGADMP C[C@H]1Cc2ccccc2C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128253 808184855 /nfs/dbraw/zinc/18/48/55/808184855.db2.gz QHHXEULWYZYAHJ-WQANXHIZSA-N 2 1 284.447 3.449 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCc3ccccc3C1)C2 ZINC001172125077 808185877 /nfs/dbraw/zinc/18/58/77/808185877.db2.gz ODCFPVYDUWGMLJ-BWTSREIZSA-N 2 1 284.447 3.450 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCc3ccccc3C1)C2 ZINC001172125077 808185881 /nfs/dbraw/zinc/18/58/81/808185881.db2.gz ODCFPVYDUWGMLJ-BWTSREIZSA-N 2 1 284.447 3.450 20 0 CGADMP CC[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129416 808185952 /nfs/dbraw/zinc/18/59/52/808185952.db2.gz ZNEQJWMBWDMIOS-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172129416 808185954 /nfs/dbraw/zinc/18/59/54/808185954.db2.gz ZNEQJWMBWDMIOS-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129416 808185957 /nfs/dbraw/zinc/18/59/57/808185957.db2.gz ZNEQJWMBWDMIOS-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129416 808185958 /nfs/dbraw/zinc/18/59/58/808185958.db2.gz ZNEQJWMBWDMIOS-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1nccs1)C2 ZINC001172129300 808186085 /nfs/dbraw/zinc/18/60/85/808186085.db2.gz YCAKJTWIODEVAS-XGUBFFRZSA-N 2 1 291.464 3.295 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1nccs1)C2 ZINC001172129300 808186091 /nfs/dbraw/zinc/18/60/91/808186091.db2.gz YCAKJTWIODEVAS-XGUBFFRZSA-N 2 1 291.464 3.295 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1nccs1)C2 ZINC001172129300 808186093 /nfs/dbraw/zinc/18/60/93/808186093.db2.gz YCAKJTWIODEVAS-XGUBFFRZSA-N 2 1 291.464 3.295 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1nccs1)C2 ZINC001172129300 808186098 /nfs/dbraw/zinc/18/60/98/808186098.db2.gz YCAKJTWIODEVAS-XGUBFFRZSA-N 2 1 291.464 3.295 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172351995 808249540 /nfs/dbraw/zinc/24/95/40/808249540.db2.gz FHKSAAFLRDVDSR-ZIAGYGMSSA-N 2 1 279.428 3.116 20 0 CGADMP CC[C@H](C)OCC[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172351989 808250028 /nfs/dbraw/zinc/25/00/28/808250028.db2.gz FHKSAAFLRDVDSR-KBPBESRZSA-N 2 1 279.428 3.116 20 0 CGADMP CCCCCC[C@H](CCC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172385618 808278735 /nfs/dbraw/zinc/27/87/35/808278735.db2.gz IELCGBAOIHNADE-SFHVURJKSA-N 2 1 297.531 3.305 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546028 808374949 /nfs/dbraw/zinc/37/49/49/808374949.db2.gz IQKSOCATBNVSJK-HZPDHXFCSA-N 2 1 269.392 3.202 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172720724 808419251 /nfs/dbraw/zinc/41/92/51/808419251.db2.gz VYXBBALLVNMPCO-QGZVFWFLSA-N 2 1 292.854 3.081 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172724642 808420327 /nfs/dbraw/zinc/42/03/27/808420327.db2.gz OWCFJKDCOOIUTF-INIZCTEOSA-N 2 1 280.843 3.081 20 0 CGADMP C[NH+]1CCC([NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172817228 808443308 /nfs/dbraw/zinc/44/33/08/808443308.db2.gz TTYGGNVVOASEMN-UHFFFAOYSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC(C)([NH3+])CC1 ZINC001172856959 808464824 /nfs/dbraw/zinc/46/48/24/808464824.db2.gz BPEBYIOSSNTQDY-LLVKDONJSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172860828 808466096 /nfs/dbraw/zinc/46/60/96/808466096.db2.gz HFCSQIMVGJDNFC-DOMZBBRYSA-N 2 1 298.833 3.484 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](CC)C2CCN(C)CC2)CC1 ZINC001173111354 808513614 /nfs/dbraw/zinc/51/36/14/808513614.db2.gz CBLBRWAUCNCTRX-UHFFFAOYSA-N 2 1 295.515 3.056 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001173252129 808559396 /nfs/dbraw/zinc/55/93/96/808559396.db2.gz IDHRDLQTDVQSLP-RVKKMQEKSA-N 2 1 274.452 3.110 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001173252129 808559402 /nfs/dbraw/zinc/55/94/02/808559402.db2.gz IDHRDLQTDVQSLP-RVKKMQEKSA-N 2 1 274.452 3.110 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173260680 808566037 /nfs/dbraw/zinc/56/60/37/808566037.db2.gz SRONZXLWWKDGIZ-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173260680 808566042 /nfs/dbraw/zinc/56/60/42/808566042.db2.gz SRONZXLWWKDGIZ-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001173260680 808566046 /nfs/dbraw/zinc/56/60/46/808566046.db2.gz SRONZXLWWKDGIZ-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173270042 808574644 /nfs/dbraw/zinc/57/46/44/808574644.db2.gz MFWBTWDDHLJLSG-KONPQCLYSA-N 2 1 294.483 3.316 20 0 CGADMP Cc1c(O)cccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275027523 808898736 /nfs/dbraw/zinc/89/87/36/808898736.db2.gz MSTHJVOFXTXETL-UHFFFAOYSA-N 2 1 288.435 3.008 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCCc3ccccc3)C2)C1 ZINC001275110463 808909653 /nfs/dbraw/zinc/90/96/53/808909653.db2.gz XPXHRVKINYRMPK-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCCc3ccccc3)C2)C1 ZINC001275110463 808909660 /nfs/dbraw/zinc/90/96/60/808909660.db2.gz XPXHRVKINYRMPK-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCc3ccccc3)C2)C1 ZINC001275110463 808909666 /nfs/dbraw/zinc/90/96/66/808909666.db2.gz XPXHRVKINYRMPK-LJQANCHMSA-N 2 1 286.463 3.427 20 0 CGADMP c1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccco4)(C2)CCC3)c1 ZINC001275235807 808922358 /nfs/dbraw/zinc/92/23/58/808922358.db2.gz HOEWCMOGMQVWGP-ZWKOTPCHSA-N 2 1 299.418 3.333 20 0 CGADMP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccco2)C3)c1 ZINC001275236507 808922773 /nfs/dbraw/zinc/92/27/73/808922773.db2.gz VDIZWWRUTFECII-GOSISDBHSA-N 2 1 299.418 3.096 20 0 CGADMP c1c[nH]c(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccco2)C3)c1 ZINC001275236507 808922783 /nfs/dbraw/zinc/92/27/83/808922783.db2.gz VDIZWWRUTFECII-GOSISDBHSA-N 2 1 299.418 3.096 20 0 CGADMP CSc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)s1 ZINC001275731900 808961359 /nfs/dbraw/zinc/96/13/59/808961359.db2.gz LRZSCICOIUBJKR-UHFFFAOYSA-N 2 1 296.505 3.388 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001275874660 808972409 /nfs/dbraw/zinc/97/24/09/808972409.db2.gz WPIIULZIYGMITC-CALCHBBNSA-N 2 1 299.462 3.168 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001275874660 808972413 /nfs/dbraw/zinc/97/24/13/808972413.db2.gz WPIIULZIYGMITC-CALCHBBNSA-N 2 1 299.462 3.168 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001275874660 808972417 /nfs/dbraw/zinc/97/24/17/808972417.db2.gz WPIIULZIYGMITC-CALCHBBNSA-N 2 1 299.462 3.168 20 0 CGADMP COC(C)(C)CC[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001276027441 808985148 /nfs/dbraw/zinc/98/51/48/808985148.db2.gz ZZPOJKIEEINQBC-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP COC(C)(C)CC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276027441 808985152 /nfs/dbraw/zinc/98/51/52/808985152.db2.gz ZZPOJKIEEINQBC-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP COC(C)(C)CC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276027441 808985153 /nfs/dbraw/zinc/98/51/53/808985153.db2.gz ZZPOJKIEEINQBC-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cc(Cl)cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001276242185 808995273 /nfs/dbraw/zinc/99/52/73/808995273.db2.gz FYBINCHPAWOPTC-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001276242185 808995276 /nfs/dbraw/zinc/99/52/76/808995276.db2.gz FYBINCHPAWOPTC-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001276242185 808995279 /nfs/dbraw/zinc/99/52/79/808995279.db2.gz FYBINCHPAWOPTC-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1sccc1Cl)CC2 ZINC001276236511 808995884 /nfs/dbraw/zinc/99/58/84/808995884.db2.gz LCEGFQDRKNAHQS-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001276363275 809004177 /nfs/dbraw/zinc/00/41/77/809004177.db2.gz DEZLOHRLRNDAER-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001276363275 809004183 /nfs/dbraw/zinc/00/41/83/809004183.db2.gz DEZLOHRLRNDAER-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)o1 ZINC001276470576 809011321 /nfs/dbraw/zinc/01/13/21/809011321.db2.gz PZXMZKBYHJFXDE-BHYGNILZSA-N 2 1 290.451 3.355 20 0 CGADMP Cc1ccc([C@@H](C)CC[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)o1 ZINC001276470576 809011329 /nfs/dbraw/zinc/01/13/29/809011329.db2.gz PZXMZKBYHJFXDE-BHYGNILZSA-N 2 1 290.451 3.355 20 0 CGADMP Cc1ccc([C@@H](C)CC[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)o1 ZINC001276470576 809011337 /nfs/dbraw/zinc/01/13/37/809011337.db2.gz PZXMZKBYHJFXDE-BHYGNILZSA-N 2 1 290.451 3.355 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)sc1C ZINC001276665376 809023560 /nfs/dbraw/zinc/02/35/60/809023560.db2.gz KOKWNRHUVIPZRM-GOOCMWNKSA-N 2 1 264.438 3.080 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3cccnc31)CC2 ZINC001276782903 809030715 /nfs/dbraw/zinc/03/07/15/809030715.db2.gz KDAAPGMGFQLTCT-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC001276789368 809030877 /nfs/dbraw/zinc/03/08/77/809030877.db2.gz HSLWLOVSUHTYOR-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1O ZINC001276878206 809038728 /nfs/dbraw/zinc/03/87/28/809038728.db2.gz QLWUHRYVVFVYEY-UHFFFAOYSA-N 2 1 288.435 3.008 20 0 CGADMP CCOCC[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277859364 809101607 /nfs/dbraw/zinc/10/16/07/809101607.db2.gz XLWPHDHOALSPPY-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP CCOCC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277859364 809101610 /nfs/dbraw/zinc/10/16/10/809101610.db2.gz XLWPHDHOALSPPY-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP CCOCC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277859364 809101612 /nfs/dbraw/zinc/10/16/12/809101612.db2.gz XLWPHDHOALSPPY-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP CCOCC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277859364 809101614 /nfs/dbraw/zinc/10/16/14/809101614.db2.gz XLWPHDHOALSPPY-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP CC[NH+](CC)c1ccc(Nc2cc[nH+]c(C)c2)cc1 ZINC001174654541 809118534 /nfs/dbraw/zinc/11/85/34/809118534.db2.gz FLAKJIXACLWXLA-UHFFFAOYSA-N 2 1 255.365 3.402 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCc1cccc(F)c1 ZINC001174818330 809169600 /nfs/dbraw/zinc/16/96/00/809169600.db2.gz CEGNISVWGFSLCA-UHFFFAOYSA-N 2 1 280.431 3.468 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCc1cccc(F)c1 ZINC001174818330 809169606 /nfs/dbraw/zinc/16/96/06/809169606.db2.gz CEGNISVWGFSLCA-UHFFFAOYSA-N 2 1 280.431 3.468 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070314 809259344 /nfs/dbraw/zinc/25/93/44/809259344.db2.gz QDHIFTLNAWWVHQ-SQNIBIBYSA-N 2 1 272.436 3.411 20 0 CGADMP CC(C)C[N@@H+](C[C@H]1CC(C)(C)CO1)CC1CC[NH+](C)CC1 ZINC001175601421 809470637 /nfs/dbraw/zinc/47/06/37/809470637.db2.gz KZLFOSBMINBVIW-QGZVFWFLSA-N 2 1 296.499 3.101 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001177303084 809793422 /nfs/dbraw/zinc/79/34/22/809793422.db2.gz BHVVRWTXDRDKTP-QRQLOZEOSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001177303084 809793425 /nfs/dbraw/zinc/79/34/25/809793425.db2.gz BHVVRWTXDRDKTP-QRQLOZEOSA-N 2 1 286.463 3.472 20 0 CGADMP CCc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC001177542250 809807144 /nfs/dbraw/zinc/80/71/44/809807144.db2.gz LOEMLIMGCHMCCQ-HNNXBMFYSA-N 2 1 260.425 3.071 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001177972714 809836401 /nfs/dbraw/zinc/83/64/01/809836401.db2.gz VGNRBXCYFUFVTF-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP CCOc1ccccc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001178444353 809866454 /nfs/dbraw/zinc/86/64/54/809866454.db2.gz JEUUKCLLYUSBLM-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP C[C@H]1C[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)C[C@@H](C)C1 ZINC001179110932 809905670 /nfs/dbraw/zinc/90/56/70/809905670.db2.gz PVKYKNQFLLSOLZ-FICVDOATSA-N 2 1 275.440 3.310 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC001179257679 809910496 /nfs/dbraw/zinc/91/04/96/809910496.db2.gz FUDJKSMWOQXQDJ-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC001179257679 809910499 /nfs/dbraw/zinc/91/04/99/809910499.db2.gz FUDJKSMWOQXQDJ-INIZCTEOSA-N 2 1 290.426 3.346 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001179814984 809947742 /nfs/dbraw/zinc/94/77/42/809947742.db2.gz CCUUARBFFFVATJ-RCCFBDPRSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001179816045 809948461 /nfs/dbraw/zinc/94/84/61/809948461.db2.gz KLPIROYSEBBIHM-IAOVAPTHSA-N 2 1 292.854 3.387 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001180092287 809973292 /nfs/dbraw/zinc/97/32/92/809973292.db2.gz LBRCSGMVXSCBJB-FUHWJXTLSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001180092287 809973295 /nfs/dbraw/zinc/97/32/95/809973295.db2.gz LBRCSGMVXSCBJB-FUHWJXTLSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001180092287 809973299 /nfs/dbraw/zinc/97/32/99/809973299.db2.gz LBRCSGMVXSCBJB-FUHWJXTLSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1cc(C)cc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001180092287 809973301 /nfs/dbraw/zinc/97/33/01/809973301.db2.gz LBRCSGMVXSCBJB-FUHWJXTLSA-N 2 1 274.452 3.260 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001182152665 810096352 /nfs/dbraw/zinc/09/63/52/810096352.db2.gz QTYTWNBQCNTTRW-WBVHZDCISA-N 2 1 274.452 3.426 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001182152665 810096356 /nfs/dbraw/zinc/09/63/56/810096356.db2.gz QTYTWNBQCNTTRW-WBVHZDCISA-N 2 1 274.452 3.426 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC4(CC4)CC3)CC[C@@H]21 ZINC001191521337 810722507 /nfs/dbraw/zinc/72/25/07/810722507.db2.gz PROQKXFRGOPOFF-SJORKVTESA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)CC[C@@H]21 ZINC001191521337 810722513 /nfs/dbraw/zinc/72/25/13/810722513.db2.gz PROQKXFRGOPOFF-SJORKVTESA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)CC[C@@H]21 ZINC001191521337 810722516 /nfs/dbraw/zinc/72/25/16/810722516.db2.gz PROQKXFRGOPOFF-SJORKVTESA-N 2 1 276.468 3.373 20 0 CGADMP CC[C@H]1C[C@H](C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001198918878 811551332 /nfs/dbraw/zinc/55/13/32/811551332.db2.gz QHEHDMOAWAEERH-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001199267962 811567936 /nfs/dbraw/zinc/56/79/36/811567936.db2.gz UDPHJVLCWHXQFI-YHUYYLMFSA-N 2 1 284.513 3.371 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001199267962 811567937 /nfs/dbraw/zinc/56/79/37/811567937.db2.gz UDPHJVLCWHXQFI-YHUYYLMFSA-N 2 1 284.513 3.371 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001199336784 811572575 /nfs/dbraw/zinc/57/25/75/811572575.db2.gz WVALLDIZDLONFV-RCCFBDPRSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)(C)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001201434111 811843759 /nfs/dbraw/zinc/84/37/59/811843759.db2.gz BVCQIZKATODLQH-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC(C)C)C[C@H]3C2)cc1 ZINC001201616602 811920815 /nfs/dbraw/zinc/92/08/15/811920815.db2.gz BEHWYDLVTKKKBF-KDURUIRLSA-N 2 1 286.463 3.405 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC(C)C)C[C@H]3C2)cc1 ZINC001201616602 811920823 /nfs/dbraw/zinc/92/08/23/811920823.db2.gz BEHWYDLVTKKKBF-KDURUIRLSA-N 2 1 286.463 3.405 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC(C)C)C[C@H]3C2)cc1 ZINC001201616602 811920827 /nfs/dbraw/zinc/92/08/27/811920827.db2.gz BEHWYDLVTKKKBF-KDURUIRLSA-N 2 1 286.463 3.405 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001203294003 812297386 /nfs/dbraw/zinc/29/73/86/812297386.db2.gz PWILBBXRWTWXFB-INIZCTEOSA-N 2 1 276.424 3.428 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001203294003 812297387 /nfs/dbraw/zinc/29/73/87/812297387.db2.gz PWILBBXRWTWXFB-INIZCTEOSA-N 2 1 276.424 3.428 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204044618 812531501 /nfs/dbraw/zinc/53/15/01/812531501.db2.gz COALJNRCSWIPGF-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204044618 812531506 /nfs/dbraw/zinc/53/15/06/812531506.db2.gz COALJNRCSWIPGF-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001204048302 812534410 /nfs/dbraw/zinc/53/44/10/812534410.db2.gz QXGOGIHQJZQKEL-HIFRSBDPSA-N 2 1 282.378 3.284 20 0 CGADMP C[N@H+](Cc1ccncc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204081307 812543419 /nfs/dbraw/zinc/54/34/19/812543419.db2.gz AXMJMGBOSZQRDC-UHFFFAOYSA-N 2 1 287.451 3.311 20 0 CGADMP C[N@@H+](Cc1ccncc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204081307 812543426 /nfs/dbraw/zinc/54/34/26/812543426.db2.gz AXMJMGBOSZQRDC-UHFFFAOYSA-N 2 1 287.451 3.311 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204598069 812685730 /nfs/dbraw/zinc/68/57/30/812685730.db2.gz GCRXCRSLUKUQFJ-AWEZNQCLSA-N 2 1 283.419 3.119 20 0 CGADMP CCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)CC ZINC001204629683 812695064 /nfs/dbraw/zinc/69/50/64/812695064.db2.gz GYPMPZCESUHHNP-AWEZNQCLSA-N 2 1 260.425 3.343 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)ccc2o1 ZINC001204735358 812720594 /nfs/dbraw/zinc/72/05/94/812720594.db2.gz QOHMINYOULEQNK-UHFFFAOYSA-N 2 1 284.403 3.398 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734794 812720637 /nfs/dbraw/zinc/72/06/37/812720637.db2.gz FGSXTWKTAXTMDK-UHFFFAOYSA-N 2 1 297.446 3.144 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763941 812728919 /nfs/dbraw/zinc/72/89/19/812728919.db2.gz UFINYOYPBKJAQU-GDBMZVCRSA-N 2 1 270.461 3.031 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001204945619 812791998 /nfs/dbraw/zinc/79/19/98/812791998.db2.gz HUIAPEMTHKBHBR-KRWDZBQOSA-N 2 1 254.377 3.105 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001204945619 812792001 /nfs/dbraw/zinc/79/20/01/812792001.db2.gz HUIAPEMTHKBHBR-KRWDZBQOSA-N 2 1 254.377 3.105 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001205009242 812821834 /nfs/dbraw/zinc/82/18/34/812821834.db2.gz JWWSVTHYGAFDLE-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001205009242 812821840 /nfs/dbraw/zinc/82/18/40/812821840.db2.gz JWWSVTHYGAFDLE-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001205009189 812823422 /nfs/dbraw/zinc/82/34/22/812823422.db2.gz ITTSXAOFBFXAAB-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001205009189 812823430 /nfs/dbraw/zinc/82/34/30/812823430.db2.gz ITTSXAOFBFXAAB-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2c(Cl)cc(F)cc2Cl)CC1 ZINC001205053879 812841727 /nfs/dbraw/zinc/84/17/27/812841727.db2.gz RZVNMHZCNMLBMN-UHFFFAOYSA-N 2 1 291.197 3.303 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001205064416 812842501 /nfs/dbraw/zinc/84/25/01/812842501.db2.gz NRXWACCDHUWWHQ-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001205064416 812842506 /nfs/dbraw/zinc/84/25/06/812842506.db2.gz NRXWACCDHUWWHQ-FZMZJTMJSA-N 2 1 286.341 3.060 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c2ccccc12 ZINC001205095262 812860545 /nfs/dbraw/zinc/86/05/45/812860545.db2.gz WHUQGROXCIFUBM-OAHLLOKOSA-N 2 1 284.403 3.162 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccnc3c(Cl)cccc23)CC1 ZINC001205124499 812878810 /nfs/dbraw/zinc/87/88/10/812878810.db2.gz SYLXFJLDOSIQHM-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccnc3c(Cl)cccc23)CC1 ZINC001205124499 812878820 /nfs/dbraw/zinc/87/88/20/812878820.db2.gz SYLXFJLDOSIQHM-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205130375 812879929 /nfs/dbraw/zinc/87/99/29/812879929.db2.gz CGISPUNJHGSSRS-OWCLPIDISA-N 2 1 252.446 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2-c2cccs2)C[C@H]1C[NH3+] ZINC001205141131 812885228 /nfs/dbraw/zinc/88/52/28/812885228.db2.gz WZLXYKSTRBHCRE-DZGCQCFKSA-N 2 1 286.444 3.442 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205156172 812889774 /nfs/dbraw/zinc/88/97/74/812889774.db2.gz PRZGSGAYWFPKDL-MAUKXSAKSA-N 2 1 295.430 3.084 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205164498 812895108 /nfs/dbraw/zinc/89/51/08/812895108.db2.gz GRFMPAHEKWCXJA-AWEZNQCLSA-N 2 1 266.388 3.265 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205182729 812900736 /nfs/dbraw/zinc/90/07/36/812900736.db2.gz JIZAUOMYVXBMIS-DGCLKSJQSA-N 2 1 260.406 3.131 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205182729 812900742 /nfs/dbraw/zinc/90/07/42/812900742.db2.gz JIZAUOMYVXBMIS-DGCLKSJQSA-N 2 1 260.406 3.131 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205263815 812920565 /nfs/dbraw/zinc/92/05/65/812920565.db2.gz CLTOUZQWVXJOPA-QGZVFWFLSA-N 2 1 271.408 3.180 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(O)c3ccccc23)CC1 ZINC001205263798 812920698 /nfs/dbraw/zinc/92/06/98/812920698.db2.gz CEVWNMXBQHMZCN-SFHVURJKSA-N 2 1 284.403 3.249 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205266949 812923760 /nfs/dbraw/zinc/92/37/60/812923760.db2.gz YSKTUJPVMVWLAW-KRWDZBQOSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2C(F)F)CC1 ZINC001205274407 812926002 /nfs/dbraw/zinc/92/60/02/812926002.db2.gz XDQBERZXMCGUEG-OAHLLOKOSA-N 2 1 268.351 3.328 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001205297130 812938394 /nfs/dbraw/zinc/93/83/94/812938394.db2.gz ZPUFJWPLWFUZDM-ILXRZTDVSA-N 2 1 254.462 3.366 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205304319 812942584 /nfs/dbraw/zinc/94/25/84/812942584.db2.gz NSOLHRHVJWFZSR-YJBOKZPZSA-N 2 1 274.452 3.446 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303643 812942680 /nfs/dbraw/zinc/94/26/80/812942680.db2.gz IXIRPSHKZVLWRY-ZBFHGGJFSA-N 2 1 285.435 3.078 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205304250 812942687 /nfs/dbraw/zinc/94/26/87/812942687.db2.gz NHMYXIFPTGAIPI-RDJZCZTQSA-N 2 1 290.451 3.282 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205306572 812943303 /nfs/dbraw/zinc/94/33/03/812943303.db2.gz XUFDSGKOHOTZBG-ZBFHGGJFSA-N 2 1 260.425 3.227 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205316499 812948882 /nfs/dbraw/zinc/94/88/82/812948882.db2.gz KEUHGYMUEXXJDF-DZGCQCFKSA-N 2 1 294.414 3.030 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205316499 812948889 /nfs/dbraw/zinc/94/88/89/812948889.db2.gz KEUHGYMUEXXJDF-DZGCQCFKSA-N 2 1 294.414 3.030 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205316492 812949003 /nfs/dbraw/zinc/94/90/03/812949003.db2.gz KBWVMLAMPOKXNT-PBHICJAKSA-N 2 1 260.425 3.227 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205316493 812949457 /nfs/dbraw/zinc/94/94/57/812949457.db2.gz KBWVMLAMPOKXNT-RHSMWYFYSA-N 2 1 260.425 3.227 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205319041 812952729 /nfs/dbraw/zinc/95/27/29/812952729.db2.gz XWOJOGLGAMNVPV-HNAYVOBHSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC001205318670 812952780 /nfs/dbraw/zinc/95/27/80/812952780.db2.gz WAPQADYPFCELAW-HOCLYGCPSA-N 2 1 290.451 3.281 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205318830 812952818 /nfs/dbraw/zinc/95/28/18/812952818.db2.gz WWAYNIRCAAPYNI-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205318830 812952821 /nfs/dbraw/zinc/95/28/21/812952821.db2.gz WWAYNIRCAAPYNI-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205546864 812999752 /nfs/dbraw/zinc/99/97/52/812999752.db2.gz YXCGMPZOZCDSKK-QGZVFWFLSA-N 2 1 278.415 3.463 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546450 813000663 /nfs/dbraw/zinc/00/06/63/813000663.db2.gz VRMAMSLZFKUCOH-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)sc1C ZINC001205581542 813012642 /nfs/dbraw/zinc/01/26/42/813012642.db2.gz VJXQQGKIGFFAHB-CQSZACIVSA-N 2 1 270.417 3.018 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205599978 813017913 /nfs/dbraw/zinc/01/79/13/813017913.db2.gz AWLQUYUFMNWBIT-GXTWGEPZSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC001205604681 813021777 /nfs/dbraw/zinc/02/17/77/813021777.db2.gz VZOMJUOUGPZRBC-ZBFHGGJFSA-N 2 1 278.415 3.065 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205615750 813027166 /nfs/dbraw/zinc/02/71/66/813027166.db2.gz AJMYAVRXTOHIAG-BBRMVZONSA-N 2 1 260.425 3.110 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205616254 813027294 /nfs/dbraw/zinc/02/72/94/813027294.db2.gz DXQQLOGYPAGKGK-JKSUJKDBSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3F)CC[C@@H]1C[NH3+] ZINC001205618352 813027907 /nfs/dbraw/zinc/02/79/07/813027907.db2.gz VIJBTXITJZTBPT-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205618793 813029458 /nfs/dbraw/zinc/02/94/58/813029458.db2.gz YWKUDGQXARMDKF-AAEUAGOBSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)CC[C@H]1C[NH3+] ZINC001205618962 813030619 /nfs/dbraw/zinc/03/06/19/813030619.db2.gz ZREMSIUPINKSED-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3cnccc32)CC[C@H]1C[NH3+] ZINC001205627234 813033186 /nfs/dbraw/zinc/03/31/86/813033186.db2.gz OGHKPSXTKKCMRU-GJZGRUSLSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205628280 813033502 /nfs/dbraw/zinc/03/35/02/813033502.db2.gz UNNJZHZEYZXHJM-ZIAGYGMSSA-N 2 1 280.843 3.455 20 0 CGADMP CSc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)s1 ZINC001205628315 813034567 /nfs/dbraw/zinc/03/45/67/813034567.db2.gz UYRRIUHRYFRGJP-RYUDHWBXSA-N 2 1 284.494 3.277 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1Cl ZINC001205629226 813034795 /nfs/dbraw/zinc/03/47/95/813034795.db2.gz YRFLBDGAGBHQJX-IUODEOHRSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3ccoc32)CC[C@H]1C[NH3+] ZINC001205651244 813042510 /nfs/dbraw/zinc/04/25/10/813042510.db2.gz BJEQMJNHDCVEHT-ZFWWWQNUSA-N 2 1 272.392 3.240 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001205718452 813059532 /nfs/dbraw/zinc/05/95/32/813059532.db2.gz ZSPXBJTZDYJSGP-HNNXBMFYSA-N 2 1 298.833 3.486 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001205718452 813059539 /nfs/dbraw/zinc/05/95/39/813059539.db2.gz ZSPXBJTZDYJSGP-HNNXBMFYSA-N 2 1 298.833 3.486 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205734640 813063997 /nfs/dbraw/zinc/06/39/97/813063997.db2.gz GBYZWJMFTQTQDC-ZIAGYGMSSA-N 2 1 274.399 3.285 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205780506 813074982 /nfs/dbraw/zinc/07/49/82/813074982.db2.gz QLNGWPXQROTONW-INIZCTEOSA-N 2 1 296.405 3.445 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205780506 813074996 /nfs/dbraw/zinc/07/49/96/813074996.db2.gz QLNGWPXQROTONW-INIZCTEOSA-N 2 1 296.405 3.445 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])o1 ZINC001205806846 813088281 /nfs/dbraw/zinc/08/82/81/813088281.db2.gz WGDJLOIWDYZLBM-GZBFAFLISA-N 2 1 264.413 3.141 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])o1 ZINC001205806846 813088291 /nfs/dbraw/zinc/08/82/91/813088291.db2.gz WGDJLOIWDYZLBM-GZBFAFLISA-N 2 1 264.413 3.141 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205839081 813103278 /nfs/dbraw/zinc/10/32/78/813103278.db2.gz DOKZIUTXBQKHAE-GDBMZVCRSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205839081 813103279 /nfs/dbraw/zinc/10/32/79/813103279.db2.gz DOKZIUTXBQKHAE-GDBMZVCRSA-N 2 1 260.425 3.369 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001205851755 813108534 /nfs/dbraw/zinc/10/85/34/813108534.db2.gz BKOVTRUJCNAHLM-YOEHRIQHSA-N 2 1 268.404 3.351 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205851755 813108537 /nfs/dbraw/zinc/10/85/37/813108537.db2.gz BKOVTRUJCNAHLM-YOEHRIQHSA-N 2 1 268.404 3.351 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205901154 813122409 /nfs/dbraw/zinc/12/24/09/813122409.db2.gz BIEZPIBJLPBJJG-YJBOKZPZSA-N 2 1 274.452 3.412 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(Br)c1 ZINC001205903586 813126577 /nfs/dbraw/zinc/12/65/77/813126577.db2.gz QFRAGHCMFCXWFE-WCQYABFASA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(Br)c1 ZINC001205903586 813126578 /nfs/dbraw/zinc/12/65/78/813126578.db2.gz QFRAGHCMFCXWFE-WCQYABFASA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001205905209 813128205 /nfs/dbraw/zinc/12/82/05/813128205.db2.gz ZIWXAYZQNZDRKW-VXGBXAGGSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001205905209 813128207 /nfs/dbraw/zinc/12/82/07/813128207.db2.gz ZIWXAYZQNZDRKW-VXGBXAGGSA-N 2 1 286.341 3.265 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205904900 813128343 /nfs/dbraw/zinc/12/83/43/813128343.db2.gz YBVWWFFIKCIJKM-ZBFHGGJFSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)ccc2n1 ZINC001205912932 813129348 /nfs/dbraw/zinc/12/93/48/813129348.db2.gz DYAZYWCHXWMMJZ-RHSMWYFYSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205915176 813131463 /nfs/dbraw/zinc/13/14/63/813131463.db2.gz OTBMMUIAEZXZRK-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205913779 813131680 /nfs/dbraw/zinc/13/16/80/813131680.db2.gz JTFIFONDCHIHIX-ZIAGYGMSSA-N 2 1 294.414 3.174 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205913779 813131686 /nfs/dbraw/zinc/13/16/86/813131686.db2.gz JTFIFONDCHIHIX-ZIAGYGMSSA-N 2 1 294.414 3.174 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c12 ZINC001205916929 813133325 /nfs/dbraw/zinc/13/33/25/813133325.db2.gz WSRJIDUDQCPCMG-CABCVRRESA-N 2 1 283.419 3.102 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](Cc2cccc3ccccc32)C1 ZINC001205930967 813137893 /nfs/dbraw/zinc/13/78/93/813137893.db2.gz DZEZILDRPRYPBM-INIZCTEOSA-N 2 1 254.377 3.153 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001205930967 813137896 /nfs/dbraw/zinc/13/78/96/813137896.db2.gz DZEZILDRPRYPBM-INIZCTEOSA-N 2 1 254.377 3.153 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001205997046 813157660 /nfs/dbraw/zinc/15/76/60/813157660.db2.gz ZCDAVOARMULQBM-WBVHZDCISA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1C[N@@H+](Cc2sccc2Cl)CCC[C@H]1C[NH3+] ZINC001205996733 813158610 /nfs/dbraw/zinc/15/86/10/813158610.db2.gz XZLMAKNGZNASBS-QWRGUYRKSA-N 2 1 272.845 3.208 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC001206003708 813160619 /nfs/dbraw/zinc/16/06/19/813160619.db2.gz LLNLVRHGQAEFJQ-UKRRQHHQSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)CCC[C@H]1C[NH3+] ZINC001206003659 813161160 /nfs/dbraw/zinc/16/11/60/813161160.db2.gz KSSIKXQXBMEHEV-OLZOCXBDSA-N 2 1 298.377 3.095 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC001206002833 813161626 /nfs/dbraw/zinc/16/16/26/813161626.db2.gz BROBXDPIJZGYDI-CHWSQXEVSA-N 2 1 281.469 3.073 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206005973 813162562 /nfs/dbraw/zinc/16/25/62/813162562.db2.gz ZQSVDYGLMNIWMC-ZIAGYGMSSA-N 2 1 280.843 3.455 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)cc21 ZINC001206004977 813162897 /nfs/dbraw/zinc/16/28/97/813162897.db2.gz WDMHGSUGSKTLSQ-YJBOKZPZSA-N 2 1 299.462 3.468 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCCC3)CCC[C@@H]1C[NH3+] ZINC001206012731 813165162 /nfs/dbraw/zinc/16/51/62/813165162.db2.gz NJIYPPJLEIIDKN-DOTOQJQBSA-N 2 1 286.463 3.372 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ncsc32)CCC[C@@H]1C[NH3+] ZINC001206013756 813165350 /nfs/dbraw/zinc/16/53/50/813165350.db2.gz UDLVWOSMNDRBMI-CHWSQXEVSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ncsc32)CCC[C@H]1C[NH3+] ZINC001206013761 813165580 /nfs/dbraw/zinc/16/55/80/813165580.db2.gz UDLVWOSMNDRBMI-STQMWFEESA-N 2 1 289.448 3.103 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3occc32)CCC[C@@H]1C[NH3+] ZINC001206025308 813170322 /nfs/dbraw/zinc/17/03/22/813170322.db2.gz NLQSZTHURYEALL-UONOGXRCSA-N 2 1 272.392 3.240 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)ccc1F)CC2 ZINC001206028614 813171932 /nfs/dbraw/zinc/17/19/32/813171932.db2.gz WUPUWWXRFCSZKN-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206036120 813175127 /nfs/dbraw/zinc/17/51/27/813175127.db2.gz GTMMFSKCZASZAW-ZIAGYGMSSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1)CC(C)(C)C ZINC001206154248 813217261 /nfs/dbraw/zinc/21/72/61/813217261.db2.gz HWAMHSLLSXCVGC-RDBSUJKOSA-N 2 1 258.425 3.210 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1)CC(C)(C)C ZINC001206154248 813217267 /nfs/dbraw/zinc/21/72/67/813217267.db2.gz HWAMHSLLSXCVGC-RDBSUJKOSA-N 2 1 258.425 3.210 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccnc3)cc2)CC[C@H]1F ZINC001206174245 813226077 /nfs/dbraw/zinc/22/60/77/813226077.db2.gz MUQCGJYPIUXMIR-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)CC[C@H]1F ZINC001206174245 813226082 /nfs/dbraw/zinc/22/60/82/813226082.db2.gz MUQCGJYPIUXMIR-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[C@H]1F ZINC001206176142 813227363 /nfs/dbraw/zinc/22/73/63/813227363.db2.gz YJFPLZLUCSECIK-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[C@H]1F ZINC001206176142 813227369 /nfs/dbraw/zinc/22/73/69/813227369.db2.gz YJFPLZLUCSECIK-ZIAGYGMSSA-N 2 1 295.789 3.083 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)c1C ZINC001206182599 813230181 /nfs/dbraw/zinc/23/01/81/813230181.db2.gz CCCXUOLCGOSZFL-MSOLQXFVSA-N 2 1 292.442 3.490 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)c1C ZINC001206182599 813230187 /nfs/dbraw/zinc/23/01/87/813230187.db2.gz CCCXUOLCGOSZFL-MSOLQXFVSA-N 2 1 292.442 3.490 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206185910 813231968 /nfs/dbraw/zinc/23/19/68/813231968.db2.gz PFIPQHVQBIXULC-MSOLQXFVSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206185910 813231972 /nfs/dbraw/zinc/23/19/72/813231972.db2.gz PFIPQHVQBIXULC-MSOLQXFVSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206201102 813237539 /nfs/dbraw/zinc/23/75/39/813237539.db2.gz VPNPEWCQUSXYDW-LSDHHAIUSA-N 2 1 284.806 3.218 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC001206292636 813275219 /nfs/dbraw/zinc/27/52/19/813275219.db2.gz DCBQBGNYKICWGQ-HNNXBMFYSA-N 2 1 266.816 3.291 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1Cl ZINC001206311844 813284029 /nfs/dbraw/zinc/28/40/29/813284029.db2.gz VVNDRPRRMRFJSR-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC001206318456 813287101 /nfs/dbraw/zinc/28/71/01/813287101.db2.gz PSHNFSWOYFKMSS-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206326513 813290214 /nfs/dbraw/zinc/29/02/14/813290214.db2.gz OOPARUGLNQIDFX-KRWDZBQOSA-N 2 1 278.415 3.393 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206327782 813291337 /nfs/dbraw/zinc/29/13/37/813291337.db2.gz XQDUDUIHTQFPQO-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001206343629 813296382 /nfs/dbraw/zinc/29/63/82/813296382.db2.gz HHDSJNHJLFXYHJ-GOSISDBHSA-N 2 1 286.394 3.493 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001206343629 813296386 /nfs/dbraw/zinc/29/63/86/813296386.db2.gz HHDSJNHJLFXYHJ-GOSISDBHSA-N 2 1 286.394 3.493 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206369394 813305493 /nfs/dbraw/zinc/30/54/93/813305493.db2.gz DDASPPFVZBYIIU-KRWDZBQOSA-N 2 1 278.415 3.463 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206369394 813305499 /nfs/dbraw/zinc/30/54/99/813305499.db2.gz DDASPPFVZBYIIU-KRWDZBQOSA-N 2 1 278.415 3.463 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001206540731 813344076 /nfs/dbraw/zinc/34/40/76/813344076.db2.gz CTOKVGANIJYGDF-MRXNPFEDSA-N 2 1 252.446 3.408 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCc2ccc(F)cc2)C1 ZINC001206541943 813344806 /nfs/dbraw/zinc/34/48/06/813344806.db2.gz NWYLOHXUNLKOCL-QGZVFWFLSA-N 2 1 278.415 3.209 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001206542196 813344873 /nfs/dbraw/zinc/34/48/73/813344873.db2.gz URPFVLBXNGESIF-BBWFWOEESA-N 2 1 264.457 3.430 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542358 813345055 /nfs/dbraw/zinc/34/50/55/813345055.db2.gz ZCJANISQVVESTD-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541382 813345637 /nfs/dbraw/zinc/34/56/37/813345637.db2.gz GYRKHNYDKRCVBF-AEFFLSMTSA-N 2 1 298.515 3.405 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206547070 813346261 /nfs/dbraw/zinc/34/62/61/813346261.db2.gz BECDEEGMAZBQAA-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206547642 813346995 /nfs/dbraw/zinc/34/69/95/813346995.db2.gz DYOUMGJHKLUKLB-SFHVURJKSA-N 2 1 290.451 3.426 20 0 CGADMP Cc1c(F)cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1F ZINC001206565456 813354176 /nfs/dbraw/zinc/35/41/76/813354176.db2.gz TUQJZJTZEVRKHQ-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1c(F)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1F ZINC001206565456 813354184 /nfs/dbraw/zinc/35/41/84/813354184.db2.gz TUQJZJTZEVRKHQ-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP CSc1cc(C)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206564492 813354846 /nfs/dbraw/zinc/35/48/46/813354846.db2.gz OTFBIEAQMLANSH-INIZCTEOSA-N 2 1 293.480 3.063 20 0 CGADMP CSc1cc(C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206564492 813354853 /nfs/dbraw/zinc/35/48/53/813354853.db2.gz OTFBIEAQMLANSH-INIZCTEOSA-N 2 1 293.480 3.063 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001206574690 813359667 /nfs/dbraw/zinc/35/96/67/813359667.db2.gz UHEISRJEMZZGNM-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP COc1cccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206574709 813360078 /nfs/dbraw/zinc/36/00/78/813360078.db2.gz ULMBJARTAGHNPH-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206574709 813360087 /nfs/dbraw/zinc/36/00/87/813360087.db2.gz ULMBJARTAGHNPH-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cc(C)ccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206583471 813363887 /nfs/dbraw/zinc/36/38/87/813363887.db2.gz VCSBEYVYAKYBJI-KRWDZBQOSA-N 2 1 290.451 3.356 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001206760834 813425710 /nfs/dbraw/zinc/42/57/10/813425710.db2.gz MQYKZHAHECVKLO-DZGCQCFKSA-N 2 1 280.843 3.332 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206760748 813426466 /nfs/dbraw/zinc/42/64/66/813426466.db2.gz LCNKYGVRAXSDCJ-WBVHZDCISA-N 2 1 274.452 3.412 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(C)c1F ZINC001206767610 813430812 /nfs/dbraw/zinc/43/08/12/813430812.db2.gz CNCDNNNQJYCOBT-KGLIPLIRSA-N 2 1 264.388 3.002 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1OC(C)C ZINC001206770136 813432789 /nfs/dbraw/zinc/43/27/89/813432789.db2.gz ROWUZCXNVWMPJA-CVEARBPZSA-N 2 1 290.451 3.341 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206772263 813433708 /nfs/dbraw/zinc/43/37/08/813433708.db2.gz ZZGWEYORHZXIGF-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP CC[NH+]1CCC(C[NH2+]CC(F)(F)c2ccccc2C)CC1 ZINC001206800799 813439866 /nfs/dbraw/zinc/43/98/66/813439866.db2.gz NRJVPXTURBJVGV-UHFFFAOYSA-N 2 1 296.405 3.408 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206805174 813441912 /nfs/dbraw/zinc/44/19/12/813441912.db2.gz APXKOZRUSAYGMU-DGCLKSJQSA-N 2 1 266.816 3.208 20 0 CGADMP C[N@H+](Cc1cc(-c2ccccc2)on1)CC1CC[NH+](C)CC1 ZINC001206844757 813450522 /nfs/dbraw/zinc/45/05/22/813450522.db2.gz YYWHNBHGLCSPLR-UHFFFAOYSA-N 2 1 299.418 3.115 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207185575 813510641 /nfs/dbraw/zinc/51/06/41/813510641.db2.gz PINXBUCDZCPAKT-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001207185575 813510645 /nfs/dbraw/zinc/51/06/45/813510645.db2.gz PINXBUCDZCPAKT-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)Cc2ccccc21 ZINC001207274949 813529425 /nfs/dbraw/zinc/52/94/25/813529425.db2.gz HSOAPLSKULHHGI-CQSZACIVSA-N 2 1 260.425 3.194 20 0 CGADMP CC1=CC[C@H](CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1(C)C ZINC001207277063 813532440 /nfs/dbraw/zinc/53/24/40/813532440.db2.gz QJBRKLSBFIDPBM-SJLPKXTDSA-N 2 1 276.468 3.397 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCc2ccccc2C1 ZINC001207285373 813535778 /nfs/dbraw/zinc/53/57/78/813535778.db2.gz ILHGAASVHUGTEI-UHFFFAOYSA-N 2 1 260.425 3.023 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207436961 813565995 /nfs/dbraw/zinc/56/59/95/813565995.db2.gz MKZQXZRZHVGSFD-UHFFFAOYSA-N 2 1 260.425 3.288 20 0 CGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)Cc2ccccc21 ZINC001207479797 813572702 /nfs/dbraw/zinc/57/27/02/813572702.db2.gz ODDRZAVJIGXUBY-OAHLLOKOSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001207485249 813572828 /nfs/dbraw/zinc/57/28/28/813572828.db2.gz VPXSDSBWDFHUGH-MRXNPFEDSA-N 2 1 290.426 3.347 20 0 CGADMP CC[N@@H+](CCCC1CCCC1)C1CCN(C)CC1 ZINC001208091198 813691282 /nfs/dbraw/zinc/69/12/82/813691282.db2.gz SFYDCHFECWDMLT-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107235 813694149 /nfs/dbraw/zinc/69/41/49/813694149.db2.gz QGKVGTWFQQIJTM-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)CC1(C)CC[NH+](C)CC1 ZINC001208109604 813695056 /nfs/dbraw/zinc/69/50/56/813695056.db2.gz QDCHZXMEKSBJMX-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP CS[C@@H](C)CC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001208144196 813707154 /nfs/dbraw/zinc/70/71/54/813707154.db2.gz OFEHIWQCKPJLFE-AWEZNQCLSA-N 2 1 293.480 3.070 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208169422 813723558 /nfs/dbraw/zinc/72/35/58/813723558.db2.gz PGTHYVJIXKNYOD-HZPDHXFCSA-N 2 1 264.457 3.395 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2c2ccccn2)CCCC1 ZINC001208190472 813736728 /nfs/dbraw/zinc/73/67/28/813736728.db2.gz FENLROOYBUJKOI-KRWDZBQOSA-N 2 1 287.451 3.341 20 0 CGADMP C[NH+](C)CC1(C[N@H+](C)CCOc2ccccc2)CCCC1 ZINC001208192597 813737123 /nfs/dbraw/zinc/73/71/23/813737123.db2.gz VOIYJKNXXRFWKY-UHFFFAOYSA-N 2 1 290.451 3.119 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)CCOc2ccccc2)CCCC1 ZINC001208192597 813737133 /nfs/dbraw/zinc/73/71/33/813737133.db2.gz VOIYJKNXXRFWKY-UHFFFAOYSA-N 2 1 290.451 3.119 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001208598779 813771786 /nfs/dbraw/zinc/77/17/86/813771786.db2.gz XQFIOFAZANWUJE-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001208612329 813773750 /nfs/dbraw/zinc/77/37/50/813773750.db2.gz MMGNJEZZJUTSCL-DOTOQJQBSA-N 2 1 290.476 3.118 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001208612329 813773752 /nfs/dbraw/zinc/77/37/52/813773752.db2.gz MMGNJEZZJUTSCL-DOTOQJQBSA-N 2 1 290.476 3.118 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001208612329 813773760 /nfs/dbraw/zinc/77/37/60/813773760.db2.gz MMGNJEZZJUTSCL-DOTOQJQBSA-N 2 1 290.476 3.118 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001208612329 813773763 /nfs/dbraw/zinc/77/37/63/813773763.db2.gz MMGNJEZZJUTSCL-DOTOQJQBSA-N 2 1 290.476 3.118 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001208616624 813776828 /nfs/dbraw/zinc/77/68/28/813776828.db2.gz KSUAGNVYNOZVEV-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001208616624 813776838 /nfs/dbraw/zinc/77/68/38/813776838.db2.gz KSUAGNVYNOZVEV-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208616624 813776840 /nfs/dbraw/zinc/77/68/40/813776840.db2.gz KSUAGNVYNOZVEV-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208616624 813776847 /nfs/dbraw/zinc/77/68/47/813776847.db2.gz KSUAGNVYNOZVEV-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208666112 813789290 /nfs/dbraw/zinc/78/92/90/813789290.db2.gz KNLBHDZOSHJWDL-SJORKVTESA-N 2 1 286.463 3.238 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208666112 813789295 /nfs/dbraw/zinc/78/92/95/813789295.db2.gz KNLBHDZOSHJWDL-SJORKVTESA-N 2 1 286.463 3.238 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001208666112 813789298 /nfs/dbraw/zinc/78/92/98/813789298.db2.gz KNLBHDZOSHJWDL-SJORKVTESA-N 2 1 286.463 3.238 20 0 CGADMP CC[N@H+](CCCc1ccc(F)cc1)CCC[NH+](C)C ZINC001208776045 813842842 /nfs/dbraw/zinc/84/28/42/813842842.db2.gz YKKLKKUROKSRTP-UHFFFAOYSA-N 2 1 266.404 3.032 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927639 813901568 /nfs/dbraw/zinc/90/15/68/813901568.db2.gz AZOYRBVRIGLLOY-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927639 813901569 /nfs/dbraw/zinc/90/15/69/813901569.db2.gz AZOYRBVRIGLLOY-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(CC4)C3)C2)cc1 ZINC001208930525 813904779 /nfs/dbraw/zinc/90/47/79/813904779.db2.gz BQRDCXOYGHSVFF-SFHVURJKSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC4(CC4)C3)C2)cc1 ZINC001208930525 813904784 /nfs/dbraw/zinc/90/47/84/813904784.db2.gz BQRDCXOYGHSVFF-SFHVURJKSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC4(CC4)C3)C2)cc1 ZINC001208930525 813904789 /nfs/dbraw/zinc/90/47/89/813904789.db2.gz BQRDCXOYGHSVFF-SFHVURJKSA-N 2 1 284.447 3.385 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC[NH2+]1 ZINC001210499262 814491343 /nfs/dbraw/zinc/49/13/43/814491343.db2.gz UIGPILJMTVXCOL-OAHLLOKOSA-N 2 1 292.426 3.442 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC[NH2+]1 ZINC001210499262 814491346 /nfs/dbraw/zinc/49/13/46/814491346.db2.gz UIGPILJMTVXCOL-OAHLLOKOSA-N 2 1 292.426 3.442 20 0 CGADMP Oc1cc2ccccc2c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222154269 816361930 /nfs/dbraw/zinc/36/19/30/816361930.db2.gz JJEUENULOPMOAJ-LJQANCHMSA-N 2 1 296.414 3.121 20 0 CGADMP c1ccc(CC[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222154808 816363036 /nfs/dbraw/zinc/36/30/36/816363036.db2.gz QZQZNVTYEORTCQ-IBGZPJMESA-N 2 1 286.463 3.475 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222161084 816365665 /nfs/dbraw/zinc/36/56/65/816365665.db2.gz KYPSXRLWHLYYAK-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccnc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161430 816366191 /nfs/dbraw/zinc/36/61/91/816366191.db2.gz OEIPEBVTDWALOK-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@]23CCC[NH2+]C3)C1(C)C ZINC001222191794 816371517 /nfs/dbraw/zinc/37/15/17/816371517.db2.gz PCFXXFNHSQGATN-NVXWUHKLSA-N 2 1 262.441 3.197 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@]23CCC[NH2+]C3)C1(C)C ZINC001222191794 816371524 /nfs/dbraw/zinc/37/15/24/816371524.db2.gz PCFXXFNHSQGATN-NVXWUHKLSA-N 2 1 262.441 3.197 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001222258934 816389397 /nfs/dbraw/zinc/38/93/97/816389397.db2.gz JDHAMLMTKYETIO-OKZBNKHCSA-N 2 1 276.468 3.444 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)sc1C ZINC001222298508 816401538 /nfs/dbraw/zinc/40/15/38/816401538.db2.gz XGZZIPUWXXPLKY-UHFFFAOYSA-N 2 1 278.465 3.473 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222307851 816403816 /nfs/dbraw/zinc/40/38/16/816403816.db2.gz CGWIVSKDDAKFJN-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP C[C@@H](CC[NH+]1CC2(C1)CCC[NH2+]C2)CC(C)(C)C ZINC001222335488 816410956 /nfs/dbraw/zinc/41/09/56/816410956.db2.gz QPXQYEZMJZIOJV-AWEZNQCLSA-N 2 1 252.446 3.134 20 0 CGADMP Clc1ccc(CCC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222345227 816414110 /nfs/dbraw/zinc/41/41/10/816414110.db2.gz JNKZGWYZRGKOPU-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222345227 816414116 /nfs/dbraw/zinc/41/41/16/816414116.db2.gz JNKZGWYZRGKOPU-KRWDZBQOSA-N 2 1 292.854 3.491 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001222346770 816415584 /nfs/dbraw/zinc/41/55/84/816415584.db2.gz SIEPTIXMDQRBJL-BBWFWOEESA-N 2 1 262.441 3.197 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596032 816475028 /nfs/dbraw/zinc/47/50/28/816475028.db2.gz OUURQZGTEDZVNV-IBGZPJMESA-N 2 1 292.426 3.184 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1(C)C ZINC001222624364 816482885 /nfs/dbraw/zinc/48/28/85/816482885.db2.gz ZBDOWMHJLUAEGE-BBWFWOEESA-N 2 1 276.468 3.300 20 0 CGADMP C[NH2+]Cc1cccc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)c1 ZINC001242999840 823206478 /nfs/dbraw/zinc/20/64/78/823206478.db2.gz UOHPDZRSEUFHLK-UHFFFAOYSA-N 2 1 284.378 3.200 20 0 CGADMP CCCC[NH+](CCCC)CCCO[C@H]1CC[N@@H+](CC)C1 ZINC001224756117 816873799 /nfs/dbraw/zinc/87/37/99/816873799.db2.gz VPBVMLFRYFPZSO-KRWDZBQOSA-N 2 1 284.488 3.390 20 0 CGADMP C[C@@]1(F)CCCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011903 818233335 /nfs/dbraw/zinc/23/33/35/818233335.db2.gz PALSBKWKJVKTOT-OAHLLOKOSA-N 2 1 261.344 3.277 20 0 CGADMP Cc1c(F)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC001232422914 818344188 /nfs/dbraw/zinc/34/41/88/818344188.db2.gz KBPQOLZGVBDRCF-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP CCOC(=[NH2+])c1ccc(OC2CCC([NH+](C)C)CC2)cc1 ZINC001234587967 818887247 /nfs/dbraw/zinc/88/72/47/818887247.db2.gz GOQBSCQZJKQCSD-UHFFFAOYSA-N 2 1 290.407 3.300 20 0 CGADMP CCCOc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234993435 818971536 /nfs/dbraw/zinc/97/15/36/818971536.db2.gz PRASUTUERLCURT-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234993435 818971540 /nfs/dbraw/zinc/97/15/40/818971540.db2.gz PRASUTUERLCURT-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235008735 818978077 /nfs/dbraw/zinc/97/80/77/818978077.db2.gz ZRTDSSZBHNUAOK-ZYSHUDEJSA-N 2 1 286.463 3.282 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235008735 818978082 /nfs/dbraw/zinc/97/80/82/818978082.db2.gz ZRTDSSZBHNUAOK-ZYSHUDEJSA-N 2 1 286.463 3.282 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235033223 818985136 /nfs/dbraw/zinc/98/51/36/818985136.db2.gz VSJGMSRSDBXXNY-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235033223 818985138 /nfs/dbraw/zinc/98/51/38/818985138.db2.gz VSJGMSRSDBXXNY-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Fc1cccc(F)c1CC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042253 818987679 /nfs/dbraw/zinc/98/76/79/818987679.db2.gz WXIGCKXIPAULJS-KRWDZBQOSA-N 2 1 294.389 3.115 20 0 CGADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042253 818987681 /nfs/dbraw/zinc/98/76/81/818987681.db2.gz WXIGCKXIPAULJS-KRWDZBQOSA-N 2 1 294.389 3.115 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235041771 818988926 /nfs/dbraw/zinc/98/89/26/818988926.db2.gz SJXCXLKPUMYNDI-KRWDZBQOSA-N 2 1 258.409 3.103 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC001235092270 818999870 /nfs/dbraw/zinc/99/98/70/818999870.db2.gz KGMNYQGLAOJOTP-UHFFFAOYSA-N 2 1 286.444 3.477 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125260 819011989 /nfs/dbraw/zinc/01/19/89/819011989.db2.gz OKAHPJSQDVLGTI-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125260 819011996 /nfs/dbraw/zinc/01/19/96/819011996.db2.gz OKAHPJSQDVLGTI-FUHWJXTLSA-N 2 1 296.499 3.172 20 0 CGADMP CCCc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235144426 819014857 /nfs/dbraw/zinc/01/48/57/819014857.db2.gz LIXFUFKFMACDEM-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC23CC[NH2+]CC3)ccc1Cl ZINC001235145856 819015412 /nfs/dbraw/zinc/01/54/12/819015412.db2.gz WUFUFANAWVOWOV-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP Cc1cc(C[N@H+]2CCCC23CC[NH2+]CC3)ccc1Cl ZINC001235145856 819015415 /nfs/dbraw/zinc/01/54/15/819015415.db2.gz WUFUFANAWVOWOV-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP Cc1ccccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151330 819016466 /nfs/dbraw/zinc/01/64/66/819016466.db2.gz GILMOGIAOMNBEM-GOSISDBHSA-N 2 1 272.436 3.349 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152139 819017987 /nfs/dbraw/zinc/01/79/87/819017987.db2.gz CSGYJXXUBRIZBS-GOSISDBHSA-N 2 1 290.426 3.488 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151609 819018026 /nfs/dbraw/zinc/01/80/26/819018026.db2.gz IGQKDTFMTJEVLN-DZOHQFGASA-N 2 1 274.452 3.053 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235157820 819019454 /nfs/dbraw/zinc/01/94/54/819019454.db2.gz RZHUBUDYUWWQBH-GOSISDBHSA-N 2 1 272.436 3.349 20 0 CGADMP Cc1ccc(O)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235158747 819019772 /nfs/dbraw/zinc/01/97/72/819019772.db2.gz VLYVQJRZJNMUKF-SFHVURJKSA-N 2 1 288.435 3.055 20 0 CGADMP c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235170715 819022171 /nfs/dbraw/zinc/02/21/71/819022171.db2.gz GDVBJVPSMPEYCK-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235170715 819022175 /nfs/dbraw/zinc/02/21/75/819022175.db2.gz GDVBJVPSMPEYCK-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001235175524 819024027 /nfs/dbraw/zinc/02/40/27/819024027.db2.gz XCHKSFTXDVXARA-FUHWJXTLSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001235175525 819025033 /nfs/dbraw/zinc/02/50/33/819025033.db2.gz XCHKSFTXDVXARA-SJLPKXTDSA-N 2 1 272.436 3.398 20 0 CGADMP C1=CC2(CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c2ccccc21 ZINC001235187245 819028344 /nfs/dbraw/zinc/02/83/44/819028344.db2.gz UPJLZJWXGMOVBB-KRWDZBQOSA-N 2 1 282.431 3.189 20 0 CGADMP Clc1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235193889 819031994 /nfs/dbraw/zinc/03/19/94/819031994.db2.gz RZCVNFSOPBXGET-CHWSQXEVSA-N 2 1 299.245 3.077 20 0 CGADMP Clc1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235193889 819032000 /nfs/dbraw/zinc/03/20/00/819032000.db2.gz RZCVNFSOPBXGET-CHWSQXEVSA-N 2 1 299.245 3.077 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210047 819036368 /nfs/dbraw/zinc/03/63/68/819036368.db2.gz JIQDJXMARNSBFG-ZSGPHXLJSA-N 2 1 286.463 3.052 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209198 819037473 /nfs/dbraw/zinc/03/74/73/819037473.db2.gz IVWQSTJJUBYFEY-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209198 819037477 /nfs/dbraw/zinc/03/74/77/819037477.db2.gz IVWQSTJJUBYFEY-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)cc2)c1 ZINC001235209581 819037604 /nfs/dbraw/zinc/03/76/04/819037604.db2.gz CIPZQJCPNNKCBD-BWTSREIZSA-N 2 1 278.399 3.051 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2cccc(F)c2[nH]1 ZINC001235253395 819049338 /nfs/dbraw/zinc/04/93/38/819049338.db2.gz RMUMVBGCVHFZAU-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2cccc(F)c2[nH]1 ZINC001235253395 819049345 /nfs/dbraw/zinc/04/93/45/819049345.db2.gz RMUMVBGCVHFZAU-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235254568 819051696 /nfs/dbraw/zinc/05/16/96/819051696.db2.gz JZLJNGANKRASOR-UGUYLWEFSA-N 2 1 250.430 3.181 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235254476 819052099 /nfs/dbraw/zinc/05/20/99/819052099.db2.gz JHMANTQPDFOFOP-GVDBMIGSSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272551 819059365 /nfs/dbraw/zinc/05/93/65/819059365.db2.gz QISVLXZKODVZCF-DOTOQJQBSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272551 819059370 /nfs/dbraw/zinc/05/93/70/819059370.db2.gz QISVLXZKODVZCF-DOTOQJQBSA-N 2 1 288.435 3.048 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc4sc5ccccc5c4c3)C[C@@H]12 ZINC001235286108 819061600 /nfs/dbraw/zinc/06/16/00/819061600.db2.gz WXXCZJNLTSNENC-JLVBRIDZSA-N 2 1 294.423 3.443 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F)CC(C)(C)C ZINC001235402345 819086578 /nfs/dbraw/zinc/08/65/78/819086578.db2.gz IYGIUFZEOUNFOZ-INMHGKMJSA-N 2 1 284.463 3.472 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407687 819087102 /nfs/dbraw/zinc/08/71/02/819087102.db2.gz SWRBFEGFCRDPPA-MOPGFXCFSA-N 2 1 298.405 3.363 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)C1(C)C ZINC001235409793 819087873 /nfs/dbraw/zinc/08/78/73/819087873.db2.gz WVWFZRDEKSKDJR-RYRKJORJSA-N 2 1 294.458 3.392 20 0 CGADMP Cc1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1OC(C)C ZINC001235433974 819097377 /nfs/dbraw/zinc/09/73/77/819097377.db2.gz UDWJHZADGBCPTM-UHFFFAOYSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235445905 819101644 /nfs/dbraw/zinc/10/16/44/819101644.db2.gz VQNKDQOEUAGMIA-IBGZPJMESA-N 2 1 295.430 3.237 20 0 CGADMP CC1(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235673550 819133523 /nfs/dbraw/zinc/13/35/23/819133523.db2.gz NQKXEYNSIYPCGS-GOSISDBHSA-N 2 1 286.463 3.331 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235674293 819134830 /nfs/dbraw/zinc/13/48/30/819134830.db2.gz REDIOLJZXBLNCP-HOTGVXAUSA-N 2 1 252.446 3.430 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711589 819148303 /nfs/dbraw/zinc/14/83/03/819148303.db2.gz RLJUDRXBOGSBJR-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711589 819148309 /nfs/dbraw/zinc/14/83/09/819148309.db2.gz RLJUDRXBOGSBJR-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP Fc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001235711517 819148815 /nfs/dbraw/zinc/14/88/15/819148815.db2.gz QDMAWXAEFKMVHX-UHFFFAOYSA-N 2 1 284.378 3.164 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001235711517 819148818 /nfs/dbraw/zinc/14/88/18/819148818.db2.gz QDMAWXAEFKMVHX-UHFFFAOYSA-N 2 1 284.378 3.164 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1coc2ccc(F)cc12 ZINC001235716773 819150303 /nfs/dbraw/zinc/15/03/03/819150303.db2.gz KOPKHBMZCHZKPT-UHFFFAOYSA-N 2 1 290.382 3.393 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235724135 819153774 /nfs/dbraw/zinc/15/37/74/819153774.db2.gz DEAPGKKUXVAHSD-LBPRGKRZSA-N 2 1 260.406 3.133 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@H]1C[NH3+] ZINC001235724135 819153777 /nfs/dbraw/zinc/15/37/77/819153777.db2.gz DEAPGKKUXVAHSD-LBPRGKRZSA-N 2 1 260.406 3.133 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC001235726713 819154618 /nfs/dbraw/zinc/15/46/18/819154618.db2.gz VWRDPUPBZYPPCC-UHFFFAOYSA-N 2 1 274.433 3.475 20 0 CGADMP CC[N@@H+](Cc1ccc(OC(C)C)c(C)c1)C1CC[NH2+]CC1 ZINC001235764899 819164176 /nfs/dbraw/zinc/16/41/76/819164176.db2.gz PKIPPINUQTXONU-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CC[N@@H+](Cc1ccc2cccccc1-2)C1CC[NH2+]CC1 ZINC001235764817 819164224 /nfs/dbraw/zinc/16/42/24/819164224.db2.gz JWMOTMMRLFTRKO-UHFFFAOYSA-N 2 1 268.404 3.365 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001235866342 819189516 /nfs/dbraw/zinc/18/95/16/819189516.db2.gz IUJOUPXOCDSMPM-IAGOWNOFSA-N 2 1 276.468 3.421 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]3CCCC[C@H]31)CC[NH2+]C2 ZINC001235868153 819190188 /nfs/dbraw/zinc/19/01/88/819190188.db2.gz VBRJWNFLEZESHH-QFBILLFUSA-N 2 1 284.447 3.487 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235892446 819202234 /nfs/dbraw/zinc/20/22/34/819202234.db2.gz QVNAOCJRCRNHMM-HOTGVXAUSA-N 2 1 298.471 3.092 20 0 CGADMP c1c(C[N@H+]2CCC3(CCC3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235918172 819221116 /nfs/dbraw/zinc/22/11/16/819221116.db2.gz BEELGXODAXMAOP-UHFFFAOYSA-N 2 1 295.430 3.121 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235925252 819225446 /nfs/dbraw/zinc/22/54/46/819225446.db2.gz MZAQMFNHMAGXRH-KBMXLJTQSA-N 2 1 278.827 3.257 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929266 819227963 /nfs/dbraw/zinc/22/79/63/819227963.db2.gz JTCOONSVGVPPCV-MYIWKSEUSA-N 2 1 250.430 3.054 20 0 CGADMP COCCC[N@@H+](CCC1CCCCC1)C1CC[NH2+]CC1 ZINC001235936403 819232940 /nfs/dbraw/zinc/23/29/40/819232940.db2.gz QXUKGCPSEGNFBB-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP COCC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001235947007 819235337 /nfs/dbraw/zinc/23/53/37/819235337.db2.gz UJKKSKBZPZLETG-OAHLLOKOSA-N 2 1 284.488 3.149 20 0 CGADMP COCC[N@@H+](CC[C@@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235945344 819236287 /nfs/dbraw/zinc/23/62/87/819236287.db2.gz FXWGBEQQVCPAAT-KRWDZBQOSA-N 2 1 296.499 3.459 20 0 CGADMP C[N@@H+](CCCc1cccc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC001235952504 819242975 /nfs/dbraw/zinc/24/29/75/819242975.db2.gz YMJVCCWFUKCWRW-HNNXBMFYSA-N 2 1 280.843 3.204 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235956121 819244426 /nfs/dbraw/zinc/24/44/26/819244426.db2.gz AAGPDWZIOLBWQM-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP C[N@H+](Cc1ccc(C2CCC2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235957796 819245362 /nfs/dbraw/zinc/24/53/62/819245362.db2.gz UIHPHOYBVXXMMZ-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957316 819245743 /nfs/dbraw/zinc/24/57/43/819245743.db2.gz MPFLSTPBSPOTLH-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001235958847 819247220 /nfs/dbraw/zinc/24/72/20/819247220.db2.gz BFXHTVPWOUCLCS-WBVHZDCISA-N 2 1 260.425 3.459 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235979980 819256699 /nfs/dbraw/zinc/25/66/99/819256699.db2.gz PFPLNYVDDFPZBH-CABCVRRESA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001235979980 819256704 /nfs/dbraw/zinc/25/67/04/819256704.db2.gz PFPLNYVDDFPZBH-CABCVRRESA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989715 819261680 /nfs/dbraw/zinc/26/16/80/819261680.db2.gz JOTNJSOTRHKKHT-APWZRJJASA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989715 819261685 /nfs/dbraw/zinc/26/16/85/819261685.db2.gz JOTNJSOTRHKKHT-APWZRJJASA-N 2 1 296.389 3.416 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236008717 819272175 /nfs/dbraw/zinc/27/21/75/819272175.db2.gz MFOSQYIFVUHDQA-DLBZAZTESA-N 2 1 290.426 3.080 20 0 CGADMP FC1(C[N@H+]2CCC[C@H]2C2CCCCC2)CC[NH2+]CC1 ZINC001236042553 819280127 /nfs/dbraw/zinc/28/01/27/819280127.db2.gz QEUGUNNUBMBDTA-HNNXBMFYSA-N 2 1 268.420 3.123 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001236066840 819298244 /nfs/dbraw/zinc/29/82/44/819298244.db2.gz LNSWBYVHUADKRK-OAHLLOKOSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236072938 819301818 /nfs/dbraw/zinc/30/18/18/819301818.db2.gz ZBJCNDXMGXKBNP-CYBMUJFWSA-N 2 1 298.455 3.341 20 0 CGADMP Clc1cccc2c1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001236073153 819301857 /nfs/dbraw/zinc/30/18/57/819301857.db2.gz OPPUAXJPNIPWRO-UHFFFAOYSA-N 2 1 290.838 3.435 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCOCc2ccccc2)CCC[NH2+]1 ZINC001236098634 819316602 /nfs/dbraw/zinc/31/66/02/819316602.db2.gz SQQXVFIXSQGNHF-KRWDZBQOSA-N 2 1 290.451 3.057 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236100980 819317609 /nfs/dbraw/zinc/31/76/09/819317609.db2.gz RILULPFMKKCZEF-INIZCTEOSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236100980 819317615 /nfs/dbraw/zinc/31/76/15/819317615.db2.gz RILULPFMKKCZEF-INIZCTEOSA-N 2 1 290.451 3.274 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+](C)CCCC[NH3+] ZINC001236142551 819342145 /nfs/dbraw/zinc/34/21/45/819342145.db2.gz YPMVKGSAOZDRFY-UHFFFAOYSA-N 2 1 275.223 3.473 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@@H+](C)CCCC[NH3+] ZINC001236141065 819341584 /nfs/dbraw/zinc/34/15/84/819341584.db2.gz FGIDQVMVCQCFQC-UHFFFAOYSA-N 2 1 286.419 3.409 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236142238 819342320 /nfs/dbraw/zinc/34/23/20/819342320.db2.gz TYYQXNSOPQUAMO-UHFFFAOYSA-N 2 1 280.415 3.429 20 0 CGADMP C[N@@H+](CC1(C)CC[NH2+]CC1)C(C)(C)Cc1ccccc1 ZINC001236154779 819348924 /nfs/dbraw/zinc/34/89/24/819348924.db2.gz DFPOMNNFRLSHJT-UHFFFAOYSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)c(OCC)c1)C1CC[NH2+]CC1 ZINC001236184413 819361017 /nfs/dbraw/zinc/36/10/17/819361017.db2.gz LCLULXQXPCTXNA-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236194239 819364156 /nfs/dbraw/zinc/36/41/56/819364156.db2.gz UVKFYQJHNRNJEL-LRDDRELGSA-N 2 1 257.381 3.042 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC001236211015 819372714 /nfs/dbraw/zinc/37/27/14/819372714.db2.gz FIUAFYYHCUBELX-HZPDHXFCSA-N 2 1 276.424 3.014 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC001236211015 819372719 /nfs/dbraw/zinc/37/27/19/819372719.db2.gz FIUAFYYHCUBELX-HZPDHXFCSA-N 2 1 276.424 3.014 20 0 CGADMP CC(C)COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236214822 819377453 /nfs/dbraw/zinc/37/74/53/819377453.db2.gz FNSLASCLVGUGIY-QZTJIDSGSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236214822 819377459 /nfs/dbraw/zinc/37/74/59/819377459.db2.gz FNSLASCLVGUGIY-QZTJIDSGSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236216166 819380656 /nfs/dbraw/zinc/38/06/56/819380656.db2.gz ILENKUQRBRCKAF-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236216166 819380662 /nfs/dbraw/zinc/38/06/62/819380662.db2.gz ILENKUQRBRCKAF-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(-n3cccc3)cc2)CC1 ZINC001236215763 819381063 /nfs/dbraw/zinc/38/10/63/819381063.db2.gz QAYWAZZOAVXAJR-UHFFFAOYSA-N 2 1 297.446 3.440 20 0 CGADMP C[N@H+](Cc1ccc2occc2c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217326 819382678 /nfs/dbraw/zinc/38/26/78/819382678.db2.gz NYHWGDAXASJJAL-LSDHHAIUSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1ccc2occc2c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217326 819382686 /nfs/dbraw/zinc/38/26/86/819382686.db2.gz NYHWGDAXASJJAL-LSDHHAIUSA-N 2 1 258.365 3.135 20 0 CGADMP COc1c(C)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC001236220799 819388493 /nfs/dbraw/zinc/38/84/93/819388493.db2.gz ZFXRMBSCQPEBPD-HZPDHXFCSA-N 2 1 276.424 3.014 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC001236220799 819388498 /nfs/dbraw/zinc/38/84/98/819388498.db2.gz ZFXRMBSCQPEBPD-HZPDHXFCSA-N 2 1 276.424 3.014 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c(F)cc1Cl ZINC001236222405 819389631 /nfs/dbraw/zinc/38/96/31/819389631.db2.gz IDRVLWSHZUTBIF-JOCQHMNTSA-N 2 1 284.806 3.489 20 0 CGADMP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)C1(C)CC[NH2+]CC1 ZINC001236226465 819391006 /nfs/dbraw/zinc/39/10/06/819391006.db2.gz LVRPSDNJIFTLPQ-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226831 819392232 /nfs/dbraw/zinc/39/22/32/819392232.db2.gz UWHRIEMIKQOMSX-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP CC[N@H+](Cc1cccc(C[NH3+])c1)Cc1cccc(F)c1F ZINC001236241507 819400715 /nfs/dbraw/zinc/40/07/15/819400715.db2.gz SDDZQSVVAUOWQD-UHFFFAOYSA-N 2 1 290.357 3.446 20 0 CGADMP CC[N@@H+](Cc1cccc(C[NH3+])c1)Cc1cccc(F)c1F ZINC001236241507 819400720 /nfs/dbraw/zinc/40/07/20/819400720.db2.gz SDDZQSVVAUOWQD-UHFFFAOYSA-N 2 1 290.357 3.446 20 0 CGADMP C[N@@H+](CCc1ccccc1F)CC1CC2(C1)CC[NH2+]CC2 ZINC001236266396 819410092 /nfs/dbraw/zinc/41/00/92/819410092.db2.gz RKAKETUFOMFIKZ-UHFFFAOYSA-N 2 1 290.426 3.080 20 0 CGADMP Nc1ccccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374518 819442736 /nfs/dbraw/zinc/44/27/36/819442736.db2.gz DKJSZEQJVOUWEC-HNNXBMFYSA-N 2 1 287.451 3.013 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236408766 819456047 /nfs/dbraw/zinc/45/60/47/819456047.db2.gz STRGUHOZNDFYNY-CVEARBPZSA-N 2 1 264.457 3.300 20 0 CGADMP CC[N@@H+](Cc1cc(C)cc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236411734 819458828 /nfs/dbraw/zinc/45/88/28/819458828.db2.gz OVWLHUXWKPFBGS-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP CC[N@H+](Cc1cc(C)cc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236411734 819458831 /nfs/dbraw/zinc/45/88/31/819458831.db2.gz OVWLHUXWKPFBGS-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H]1CC=C(C)C1(C)C ZINC001236419669 819465652 /nfs/dbraw/zinc/46/56/52/819465652.db2.gz MCPDSDWPZDRZJO-HUUCEWRRSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2cccccc1-2 ZINC001236419084 819466232 /nfs/dbraw/zinc/46/62/32/819466232.db2.gz JTTLDTXGYQBFNG-SUMWQHHRSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001236419084 819466236 /nfs/dbraw/zinc/46/62/36/819466236.db2.gz JTTLDTXGYQBFNG-SUMWQHHRSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236421381 819467927 /nfs/dbraw/zinc/46/79/27/819467927.db2.gz QMNSQPOEPSYIEZ-IFXJQAMLSA-N 2 1 297.446 3.217 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236421381 819467929 /nfs/dbraw/zinc/46/79/29/819467929.db2.gz QMNSQPOEPSYIEZ-IFXJQAMLSA-N 2 1 297.446 3.217 20 0 CGADMP COc1ccc(C)c(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236479465 819495183 /nfs/dbraw/zinc/49/51/83/819495183.db2.gz TYPZTRMENXWXPQ-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP COc1ccc(C)c(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236479465 819495186 /nfs/dbraw/zinc/49/51/86/819495186.db2.gz TYPZTRMENXWXPQ-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP CCCC[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518684 819512489 /nfs/dbraw/zinc/51/24/89/819512489.db2.gz SZYGXDDGTVWJJN-UHFFFAOYSA-N 2 1 278.415 3.488 20 0 CGADMP Nc1cccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236541784 819529759 /nfs/dbraw/zinc/52/97/59/819529759.db2.gz UOJRWXGJYKONLZ-SAABIXHNSA-N 2 1 287.451 3.141 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2CCCCN2)C2CCCCC2)CC1 ZINC001236565637 819538637 /nfs/dbraw/zinc/53/86/37/819538637.db2.gz KHWSAJNWDCFUHB-JFIYKMOQSA-N 2 1 293.499 3.033 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2CCCCO2)C2CCCCC2)CC1 ZINC001236565249 819538791 /nfs/dbraw/zinc/53/87/91/819538791.db2.gz AZCSFGBPIXDAQO-KBAYOESNSA-N 2 1 294.483 3.460 20 0 CGADMP Fc1ccc(CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236584852 819545393 /nfs/dbraw/zinc/54/53/93/819545393.db2.gz WKXJKNFPFXCRGO-INIZCTEOSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc(F)c1F ZINC001236637461 819556559 /nfs/dbraw/zinc/55/65/59/819556559.db2.gz QJCVOKYZVRZSIM-UHFFFAOYSA-N 2 1 294.389 3.380 20 0 CGADMP Clc1cccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236634068 819557280 /nfs/dbraw/zinc/55/72/80/819557280.db2.gz POKHFZWYEAVTQV-UHFFFAOYSA-N 2 1 278.827 3.447 20 0 CGADMP COc1ccc2sc(C[N@H+](C)CCC[NH+](C)C)cc2c1 ZINC001236660191 819566223 /nfs/dbraw/zinc/56/62/23/819566223.db2.gz WOCDIPXAQAOOPT-UHFFFAOYSA-N 2 1 292.448 3.293 20 0 CGADMP COc1ccc2sc(C[N@@H+](C)CCC[NH+](C)C)cc2c1 ZINC001236660191 819566227 /nfs/dbraw/zinc/56/62/27/819566227.db2.gz WOCDIPXAQAOOPT-UHFFFAOYSA-N 2 1 292.448 3.293 20 0 CGADMP CCC[N@@H+](CCCc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236827284 819609844 /nfs/dbraw/zinc/60/98/44/819609844.db2.gz FBNRZYJHYAEQOD-INIZCTEOSA-N 2 1 278.415 3.080 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@H]12 ZINC001236831458 819611603 /nfs/dbraw/zinc/61/16/03/819611603.db2.gz RILBLFWCOAXVDT-FGTMMUONSA-N 2 1 270.420 3.123 20 0 CGADMP CCC[N@H+](Cc1cccc(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236834286 819612858 /nfs/dbraw/zinc/61/28/58/819612858.db2.gz GMOZMUKVCSSFTJ-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(OC)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836251 819614821 /nfs/dbraw/zinc/61/48/21/819614821.db2.gz UADPFHXKRUCPTA-MRXNPFEDSA-N 2 1 290.451 3.134 20 0 CGADMP CCC[N@H+](Cc1cccc2c1ccn2CC)C[C@H]1CC[NH2+]C1 ZINC001236836354 819614846 /nfs/dbraw/zinc/61/48/46/819614846.db2.gz VFOSDEWRIKLDLN-INIZCTEOSA-N 2 1 299.462 3.483 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843763 819619187 /nfs/dbraw/zinc/61/91/87/819619187.db2.gz QVMKVFHUOUUWBC-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1cccc2occc21)C[C@@H]1CC[NH2+]C1 ZINC001236845122 819620097 /nfs/dbraw/zinc/62/00/97/819620097.db2.gz YXYGCRZCCOURAG-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237058382 819655935 /nfs/dbraw/zinc/65/59/35/819655935.db2.gz PMXVKQFGXBYCSY-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1CC ZINC001237057891 819656726 /nfs/dbraw/zinc/65/67/26/819656726.db2.gz OKMMMAVVENXARM-SFHVURJKSA-N 2 1 290.451 3.209 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237060294 819656783 /nfs/dbraw/zinc/65/67/83/819656783.db2.gz ZKJFIUHJKIJDFV-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237078814 819662400 /nfs/dbraw/zinc/66/24/00/819662400.db2.gz RVUGKJUXEXYZKO-WXYCVUISSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237078814 819662405 /nfs/dbraw/zinc/66/24/05/819662405.db2.gz RVUGKJUXEXYZKO-WXYCVUISSA-N 2 1 278.827 3.113 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001237083206 819663800 /nfs/dbraw/zinc/66/38/00/819663800.db2.gz XHXJRBCAMPIVGL-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001237083206 819663805 /nfs/dbraw/zinc/66/38/05/819663805.db2.gz XHXJRBCAMPIVGL-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2cccccc1-2 ZINC001237185795 819691653 /nfs/dbraw/zinc/69/16/53/819691653.db2.gz FVGWWZOQBWBPQZ-UHFFFAOYSA-N 2 1 256.393 3.175 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@@H]2Nc3ccc(Cl)cc3[C@@H]2C1 ZINC001237228805 819707152 /nfs/dbraw/zinc/70/71/52/819707152.db2.gz BEOYUEDDOCACNU-HOCLYGCPSA-N 2 1 293.842 3.052 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265083 819712255 /nfs/dbraw/zinc/71/22/55/819712255.db2.gz LRIKTKBSATUPCE-HZPDHXFCSA-N 2 1 290.451 3.391 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374018 819737104 /nfs/dbraw/zinc/73/71/04/819737104.db2.gz ARSWTKMGGKUVJB-BBWFWOEESA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374018 819737108 /nfs/dbraw/zinc/73/71/08/819737108.db2.gz ARSWTKMGGKUVJB-BBWFWOEESA-N 2 1 264.457 3.443 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237393328 819741790 /nfs/dbraw/zinc/74/17/90/819741790.db2.gz RIPAVIPOWSXQLO-BBRMVZONSA-N 2 1 278.465 3.275 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237393328 819741794 /nfs/dbraw/zinc/74/17/94/819741794.db2.gz RIPAVIPOWSXQLO-BBRMVZONSA-N 2 1 278.465 3.275 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)C3CC3)cc21 ZINC001237880629 819869005 /nfs/dbraw/zinc/86/90/05/819869005.db2.gz HQDMIPKTCVZMCP-UHFFFAOYSA-N 2 1 256.393 3.282 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC001238216292 819960348 /nfs/dbraw/zinc/96/03/48/819960348.db2.gz ULCISLDWCINTCM-UHFFFAOYSA-N 2 1 280.843 3.483 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC001238216292 819960354 /nfs/dbraw/zinc/96/03/54/819960354.db2.gz ULCISLDWCINTCM-UHFFFAOYSA-N 2 1 280.843 3.483 20 0 CGADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(F)cc1Cl ZINC001238303699 819972848 /nfs/dbraw/zinc/97/28/48/819972848.db2.gz VHFCBOGVXNJTMQ-UHFFFAOYSA-N 2 1 296.817 3.315 20 0 CGADMP Cc1cc(C)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001239523951 820373164 /nfs/dbraw/zinc/37/31/64/820373164.db2.gz MWIYAYIVZDFBQS-UHFFFAOYSA-N 2 1 277.371 3.305 20 0 CGADMP Cc1cccc(C)c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001239597167 820444409 /nfs/dbraw/zinc/44/44/09/820444409.db2.gz GFFWVANYSIQIRS-UHFFFAOYSA-N 2 1 277.371 3.305 20 0 CGADMP C[N@H+]1CCCC[C@@H]1c1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240874855 821383059 /nfs/dbraw/zinc/38/30/59/821383059.db2.gz BWAHDEPXMQZGLH-QGZVFWFLSA-N 2 1 271.408 3.005 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC001339276579 936364070 /nfs/dbraw/zinc/36/40/70/936364070.db2.gz PJOJGNZVHOSKSY-MAUKXSAKSA-N 2 1 287.451 3.255 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC001340059016 936396335 /nfs/dbraw/zinc/39/63/35/936396335.db2.gz YHWKWTFVUFROJF-CQSZACIVSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346016996 936834559 /nfs/dbraw/zinc/83/45/59/936834559.db2.gz HRRKMKJHLCMZFE-SJORKVTESA-N 2 1 294.483 3.047 20 0 CGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001350399621 936990597 /nfs/dbraw/zinc/99/05/97/936990597.db2.gz XDKWXMNSBBVMNK-IRXDYDNUSA-N 2 1 272.436 3.440 20 0 CGADMP COC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC001351284984 937013768 /nfs/dbraw/zinc/01/37/68/937013768.db2.gz YMJFSRUABREPEP-ZACQAIPSSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000399018692 926754731 /nfs/dbraw/zinc/75/47/31/926754731.db2.gz DFHFMDNZASCPQE-GWCFXTLKSA-N 2 1 287.234 3.266 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]2C1 ZINC001355374562 937138881 /nfs/dbraw/zinc/13/88/81/937138881.db2.gz VAACOBMJQRREHD-XGZFVWFJSA-N 2 1 284.447 3.362 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3CCCC[C@]32c2ccccc2)C1 ZINC001356083082 937152879 /nfs/dbraw/zinc/15/28/79/937152879.db2.gz JLGUVHZTYKWLKY-BGTYHANMSA-N 2 1 270.420 3.125 20 0 CGADMP CC[C@H]1C[C@H](C[NH2+]CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001473912738 937202109 /nfs/dbraw/zinc/20/21/09/937202109.db2.gz UTXGJZXJYAXYQJ-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+]C1CCCCCCC1 ZINC000217647779 928158217 /nfs/dbraw/zinc/15/82/17/928158217.db2.gz BIHQGZWVNKITEY-CVEARBPZSA-N 2 1 250.430 3.316 20 0 CGADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+]C1CCCCCCC1 ZINC000217647779 928158223 /nfs/dbraw/zinc/15/82/23/928158223.db2.gz BIHQGZWVNKITEY-CVEARBPZSA-N 2 1 250.430 3.316 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158094263 928258595 /nfs/dbraw/zinc/25/85/95/928258595.db2.gz UMHRRWDEKLLMQD-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001459590553 937492692 /nfs/dbraw/zinc/49/26/92/937492692.db2.gz XQYXEHPLEBZVMT-FGTMMUONSA-N 2 1 290.426 3.488 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001459590553 937492694 /nfs/dbraw/zinc/49/26/94/937492694.db2.gz XQYXEHPLEBZVMT-FGTMMUONSA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001459590553 937492697 /nfs/dbraw/zinc/49/26/97/937492697.db2.gz XQYXEHPLEBZVMT-FGTMMUONSA-N 2 1 290.426 3.488 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001459590553 937492699 /nfs/dbraw/zinc/49/26/99/937492699.db2.gz XQYXEHPLEBZVMT-FGTMMUONSA-N 2 1 290.426 3.488 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC001460531221 937534487 /nfs/dbraw/zinc/53/44/87/937534487.db2.gz DMHAJPBSEFSDIC-DLBZAZTESA-N 2 1 284.488 3.245 20 0 CGADMP CC1(C)CCC(C[N@@H+]2CCc3[nH+]ccc(N)c3C2)CC1 ZINC001460662222 937538959 /nfs/dbraw/zinc/53/89/59/937538959.db2.gz HFEGXCQVPWKLNY-UHFFFAOYSA-N 2 1 273.424 3.238 20 0 CGADMP CC1(C)CCC(C[N@H+]2CCc3[nH+]ccc(N)c3C2)CC1 ZINC001460662222 937538961 /nfs/dbraw/zinc/53/89/61/937538961.db2.gz HFEGXCQVPWKLNY-UHFFFAOYSA-N 2 1 273.424 3.238 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC001461123681 937565095 /nfs/dbraw/zinc/56/50/95/937565095.db2.gz YVRBRHXYOPKLDI-ARFHVFGLSA-N 2 1 252.446 3.134 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCC(C)(C)C ZINC001461183171 937568659 /nfs/dbraw/zinc/56/86/59/937568659.db2.gz HLWMGLYHROQTPG-UHFFFAOYSA-N 2 1 263.429 3.454 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC001229624635 932179882 /nfs/dbraw/zinc/17/98/82/932179882.db2.gz CVHCGBNYVORRJU-WMLDXEAASA-N 2 1 276.424 3.171 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](C)C[C@@H]43)oc2cc1C ZINC001461824924 937600052 /nfs/dbraw/zinc/60/00/52/937600052.db2.gz AIHPAWCKJISXLX-JCGIZDLHSA-N 2 1 298.430 3.479 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)oc2cc1C ZINC001461824924 937600053 /nfs/dbraw/zinc/60/00/53/937600053.db2.gz AIHPAWCKJISXLX-JCGIZDLHSA-N 2 1 298.430 3.479 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2cccn2C)CC1 ZINC001461929847 937607503 /nfs/dbraw/zinc/60/75/03/937607503.db2.gz ZBVIFSCSMCLVFP-SFHVURJKSA-N 2 1 289.467 3.284 20 0 CGADMP CCOC1CC([NH2+]CCC[N@@H+](CC)C2CCCCC2)C1 ZINC001462409563 937638720 /nfs/dbraw/zinc/63/87/20/937638720.db2.gz UZGFPXQSEGFLJA-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001308231677 933077602 /nfs/dbraw/zinc/07/76/02/933077602.db2.gz MBMJMXKMJRWBMG-AWEZNQCLSA-N 2 1 289.448 3.118 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001308553119 933130318 /nfs/dbraw/zinc/13/03/18/933130318.db2.gz HCIGSXYQCFXQKT-NQNKBUKLSA-N 2 1 264.457 3.131 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C(C)(C)C)C2)CC1 ZINC001308717657 933164726 /nfs/dbraw/zinc/16/47/26/933164726.db2.gz IFBMUYONZPFIBJ-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]CCCc2ccc(F)c(F)c2)C1 ZINC001308864376 933192510 /nfs/dbraw/zinc/19/25/10/933192510.db2.gz PTSQYILLHQELHG-OAHLLOKOSA-N 2 1 296.405 3.219 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCC34CCCCC4)[C@@H]2C1 ZINC001308985037 933222937 /nfs/dbraw/zinc/22/29/37/933222937.db2.gz VYGZNAREOZFYRV-YVSFHVDLSA-N 2 1 276.468 3.419 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319210867 933842565 /nfs/dbraw/zinc/84/25/65/933842565.db2.gz GONNXXUXRCNFHE-FGTMMUONSA-N 2 1 274.452 3.470 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001319753554 933927875 /nfs/dbraw/zinc/92/78/75/933927875.db2.gz DKFQSSRYYCOLFY-MAUKXSAKSA-N 2 1 295.430 3.464 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC001319916366 933956451 /nfs/dbraw/zinc/95/64/51/933956451.db2.gz HDGGXEUEMWUSLK-MAUKXSAKSA-N 2 1 272.436 3.459 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001322523213 934310100 /nfs/dbraw/zinc/31/01/00/934310100.db2.gz QFGQMMREFOHIDG-OCCSQVGLSA-N 2 1 298.390 3.341 20 0 CGADMP Clc1cccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC001326278450 934965765 /nfs/dbraw/zinc/96/57/65/934965765.db2.gz WEEKPKZRNNQMQO-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC001327089848 935028250 /nfs/dbraw/zinc/02/82/50/935028250.db2.gz PDBIQKPYLFNHBX-INIZCTEOSA-N 2 1 260.425 3.200 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc[nH+]c2ccsc21 ZINC001327643620 935075090 /nfs/dbraw/zinc/07/50/90/935075090.db2.gz UYJJENNYJRBNHJ-FZMZJTMJSA-N 2 1 275.421 3.003 20 0 CGADMP CSCCCCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328688737 935158962 /nfs/dbraw/zinc/15/89/62/935158962.db2.gz KECMQUCATWSBLM-AWEZNQCLSA-N 2 1 272.502 3.372 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CC(C)C1 ZINC001333028814 935504979 /nfs/dbraw/zinc/50/49/79/935504979.db2.gz HVWWWLNTOHRVPB-UHFFFAOYSA-N 2 1 263.429 3.204 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CC(C)C1 ZINC001333028814 935504983 /nfs/dbraw/zinc/50/49/83/935504983.db2.gz HVWWWLNTOHRVPB-UHFFFAOYSA-N 2 1 263.429 3.204 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001333159988 935514894 /nfs/dbraw/zinc/51/48/94/935514894.db2.gz BJJBMAASCLSQBS-KGLIPLIRSA-N 2 1 287.432 3.026 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001333743225 936062050 /nfs/dbraw/zinc/06/20/50/936062050.db2.gz VSIKFNNTPUUIDK-HOTGVXAUSA-N 2 1 292.471 3.043 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(CCCOC)CCC1 ZINC001334268789 936093995 /nfs/dbraw/zinc/09/39/95/936093995.db2.gz BQEYONYNHRUHSR-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1(CCCOC)CCC1 ZINC001334268789 936094000 /nfs/dbraw/zinc/09/40/00/936094000.db2.gz BQEYONYNHRUHSR-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CC[C@H](C[NH2+]C[C@H]1C(C)=CCC[C@H]1C)[NH+]1CCCC1 ZINC001473926940 937830396 /nfs/dbraw/zinc/83/03/96/937830396.db2.gz QACBCHGGFKIMRE-ZACQAIPSSA-N 2 1 264.457 3.443 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2NC)C[C@@H]1C ZINC001474317979 937851581 /nfs/dbraw/zinc/85/15/81/937851581.db2.gz QZDDFUZUHAPTEP-DOTOQJQBSA-N 2 1 289.467 3.341 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2NC)C[C@@H]1C ZINC001474317979 937851582 /nfs/dbraw/zinc/85/15/82/937851582.db2.gz QZDDFUZUHAPTEP-DOTOQJQBSA-N 2 1 289.467 3.341 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2NC)C[C@@H]1C ZINC001474317979 937851584 /nfs/dbraw/zinc/85/15/84/937851584.db2.gz QZDDFUZUHAPTEP-DOTOQJQBSA-N 2 1 289.467 3.341 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2NC)C[C@@H]1C ZINC001474317979 937851587 /nfs/dbraw/zinc/85/15/87/937851587.db2.gz QZDDFUZUHAPTEP-DOTOQJQBSA-N 2 1 289.467 3.341 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001474435274 937859364 /nfs/dbraw/zinc/85/93/64/937859364.db2.gz CZTDTXCIOFKCLL-NCOADZHNSA-N 2 1 294.483 3.044 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C(C)C)C2)CC1 ZINC001474453394 937860407 /nfs/dbraw/zinc/86/04/07/937860407.db2.gz UZWZAXKZMQXTIC-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CC3(C)CCCC3)C2)CC1 ZINC001474477846 937862199 /nfs/dbraw/zinc/86/21/99/937862199.db2.gz ZVFHYFASUBHWFG-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)C1 ZINC001474741346 937878542 /nfs/dbraw/zinc/87/85/42/937878542.db2.gz UGAZPUXZSCBKOF-HUUCEWRRSA-N 2 1 254.462 3.332 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC001549548337 938157936 /nfs/dbraw/zinc/15/79/36/938157936.db2.gz VSSCMRAMPIZSRW-XMTFNYHQSA-N 2 1 284.447 3.395 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@@H]([NH3+])C2)sc1C ZINC001550353525 938166276 /nfs/dbraw/zinc/16/62/76/938166276.db2.gz PGJQYKBCNBHAGP-KFWWJZLASA-N 2 1 293.480 3.414 20 0 CGADMP FC(F)(F)[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552312441 938190929 /nfs/dbraw/zinc/19/09/29/938190929.db2.gz OAQXHVZMNUFWMZ-LXTVHRRPSA-N 2 1 298.352 3.268 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001553016388 938195907 /nfs/dbraw/zinc/19/59/07/938195907.db2.gz SUJQITPBNLROGS-SOLBZPMBSA-N 2 1 272.436 3.241 20 0 CGADMP CC[N@@H+](CCOc1ccccc1C)CC[C@H]1CCC[NH+]1C ZINC001559927410 938239490 /nfs/dbraw/zinc/23/94/90/938239490.db2.gz RLJPFGHQMSJXAG-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP CC[NH+](CCOc1ccccc1C)CC[C@H]1CCC[N@@H+]1C ZINC001559927410 938239491 /nfs/dbraw/zinc/23/94/91/938239491.db2.gz RLJPFGHQMSJXAG-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP CC[NH+](CCOc1ccccc1C)CC[C@H]1CCC[N@H+]1C ZINC001559927410 938239492 /nfs/dbraw/zinc/23/94/92/938239492.db2.gz RLJPFGHQMSJXAG-QGZVFWFLSA-N 2 1 290.451 3.180 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CCCCc3ccccc3)C[C@@]2(C)C1 ZINC001560043989 938242561 /nfs/dbraw/zinc/24/25/61/938242561.db2.gz QAUPLFTYSWZVQK-RTBURBONSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001560361114 938255176 /nfs/dbraw/zinc/25/51/76/938255176.db2.gz KEIXWVIYLRYOAY-JBCIKUTRSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC[N@H+]1C ZINC001560361114 938255177 /nfs/dbraw/zinc/25/51/77/938255177.db2.gz KEIXWVIYLRYOAY-JBCIKUTRSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001560546658 938262541 /nfs/dbraw/zinc/26/25/41/938262541.db2.gz CPVRXGVUAMILPZ-GFCCVEGCSA-N 2 1 288.357 3.444 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccn3C(F)F)C2)CC1 ZINC001560789112 938275737 /nfs/dbraw/zinc/27/57/37/938275737.db2.gz NVRWWEGEODUMKE-UHFFFAOYSA-N 2 1 297.393 3.191 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC001560813369 938277514 /nfs/dbraw/zinc/27/75/14/938277514.db2.gz WDNKTTVFZVWFIV-DDBAPUKQSA-N 2 1 276.468 3.086 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCc2ccccc2C1 ZINC001560812437 938277782 /nfs/dbraw/zinc/27/77/82/938277782.db2.gz SANFZRSAKLGBGJ-KRWDZBQOSA-N 2 1 288.479 3.455 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC001575423288 962374430 /nfs/dbraw/zinc/37/44/30/962374430.db2.gz RIAHCXXBDRPAMX-AWEZNQCLSA-N 2 1 264.388 3.021 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001576051429 962425340 /nfs/dbraw/zinc/42/53/40/962425340.db2.gz BTSRAFUMJNSBIS-IAQYHMDHSA-N 2 1 296.817 3.284 20 0 CGADMP C[C@H](C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2)c1cccc(Cl)c1 ZINC001576032477 962429153 /nfs/dbraw/zinc/42/91/53/962429153.db2.gz DXLFRFDYMVNAPK-KCXAZCMYSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001576117423 962434668 /nfs/dbraw/zinc/43/46/68/962434668.db2.gz OISBZRUQNMIVQB-KYNGSXCRSA-N 2 1 298.430 3.075 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001576117423 962434685 /nfs/dbraw/zinc/43/46/85/962434685.db2.gz OISBZRUQNMIVQB-KYNGSXCRSA-N 2 1 298.430 3.075 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1nc2ccccc2s1 ZINC001576243490 962449291 /nfs/dbraw/zinc/44/92/91/962449291.db2.gz CKMHEXZYSBXEOY-STQMWFEESA-N 2 1 289.448 3.337 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])C1 ZINC001576427285 962460967 /nfs/dbraw/zinc/46/09/67/962460967.db2.gz VMDKMCHHZMRSBD-HUUCEWRRSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)CC[NH2+]C1 ZINC001576503937 962469561 /nfs/dbraw/zinc/46/95/61/962469561.db2.gz XYMZHHHMRWDEAQ-NVXWUHKLSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC001576669668 962485703 /nfs/dbraw/zinc/48/57/03/962485703.db2.gz STUTXAZIFJCAHS-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC001576669668 962485714 /nfs/dbraw/zinc/48/57/14/962485714.db2.gz STUTXAZIFJCAHS-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[NH2+]1 ZINC001576671271 962485813 /nfs/dbraw/zinc/48/58/13/962485813.db2.gz WMESOFWFAJNBHZ-DGCLKSJQSA-N 2 1 291.826 3.094 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC001576747429 962492357 /nfs/dbraw/zinc/49/23/57/962492357.db2.gz ADCUXFXIICUEIH-AFYZRTOOSA-N 2 1 294.483 3.233 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001577254467 962518726 /nfs/dbraw/zinc/51/87/26/962518726.db2.gz LIUPQDQHFMPLCW-OCCSQVGLSA-N 2 1 293.480 3.189 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)CC1CCCCC1 ZINC001578659437 962590673 /nfs/dbraw/zinc/59/06/73/962590673.db2.gz ZOKUGUYLJGQLAV-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)CC1CCCCC1 ZINC001578659437 962590678 /nfs/dbraw/zinc/59/06/78/962590678.db2.gz ZOKUGUYLJGQLAV-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+](CCOc1ccccc1Cl)C[C@@]1(C)CCC[NH2+]C1 ZINC001578477327 962595804 /nfs/dbraw/zinc/59/58/04/962595804.db2.gz WNAIAIAGEAGVDQ-INIZCTEOSA-N 2 1 296.842 3.040 20 0 CGADMP C[N@@H+](CCOc1ccccc1Cl)C[C@@]1(C)CCC[NH2+]C1 ZINC001578477327 962595822 /nfs/dbraw/zinc/59/58/22/962595822.db2.gz WNAIAIAGEAGVDQ-INIZCTEOSA-N 2 1 296.842 3.040 20 0 CGADMP C[N@@H+](CCc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC001578478841 962596208 /nfs/dbraw/zinc/59/62/08/962596208.db2.gz VQKMBISUYXJTFC-UHFFFAOYSA-N 2 1 274.452 3.210 20 0 CGADMP CO[C@](C)(C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC001578897875 962600046 /nfs/dbraw/zinc/60/00/46/962600046.db2.gz ZMOQGKGTBSCOQS-SJLPKXTDSA-N 2 1 292.467 3.291 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC001579199472 962607392 /nfs/dbraw/zinc/60/73/92/962607392.db2.gz MCRLXVYZMNEEGG-CABCVRRESA-N 2 1 276.424 3.044 20 0 CGADMP Cc1cccc2c1C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC001579779816 962674070 /nfs/dbraw/zinc/67/40/70/962674070.db2.gz RYHCXFISAVZHBD-UHFFFAOYSA-N 2 1 298.455 3.261 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCOc1cccc3ccccc31)C2 ZINC001580157554 962699322 /nfs/dbraw/zinc/69/93/22/962699322.db2.gz JYXPLQLIARYDMO-APWZRJJASA-N 2 1 296.414 3.032 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCOc1cccc3ccccc31)C2 ZINC001580157554 962699334 /nfs/dbraw/zinc/69/93/34/962699334.db2.gz JYXPLQLIARYDMO-APWZRJJASA-N 2 1 296.414 3.032 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC001580288202 962710855 /nfs/dbraw/zinc/71/08/55/962710855.db2.gz GHATXAWKSKNNGB-ZDUSSCGKSA-N 2 1 288.366 3.256 20 0 CGADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001580297723 962713027 /nfs/dbraw/zinc/71/30/27/962713027.db2.gz YWOPNQUNGOJPKQ-IXDOHACOSA-N 2 1 264.457 3.264 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337395471 214052924 /nfs/dbraw/zinc/05/29/24/214052924.db2.gz MWULUHMQXXKXBS-OAHLLOKOSA-N 2 1 292.471 3.381 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000337410336 214062356 /nfs/dbraw/zinc/06/23/56/214062356.db2.gz WOJJKNKLLUENBA-QXCFHYIPSA-N 2 1 299.462 3.324 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000337410336 214062358 /nfs/dbraw/zinc/06/23/58/214062358.db2.gz WOJJKNKLLUENBA-QXCFHYIPSA-N 2 1 299.462 3.324 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000589838144 346813617 /nfs/dbraw/zinc/81/36/17/346813617.db2.gz UQDNNFLSQKXUTG-ROUUACIJSA-N 2 1 272.436 3.356 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000589838144 346813620 /nfs/dbraw/zinc/81/36/20/346813620.db2.gz UQDNNFLSQKXUTG-ROUUACIJSA-N 2 1 272.436 3.356 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000621337589 349499600 /nfs/dbraw/zinc/49/96/00/349499600.db2.gz DAAPVLSANMZJQI-STQMWFEESA-N 2 1 266.454 3.273 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000621337589 349499604 /nfs/dbraw/zinc/49/96/04/349499604.db2.gz DAAPVLSANMZJQI-STQMWFEESA-N 2 1 266.454 3.273 20 0 CGADMP CCCc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000621343385 349502549 /nfs/dbraw/zinc/50/25/49/349502549.db2.gz FKUGONUDVOJAHO-UHFFFAOYSA-N 2 1 264.438 3.052 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)C1CCC1 ZINC000651211031 398216620 /nfs/dbraw/zinc/21/66/20/398216620.db2.gz VPTDVBUHFHOIET-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000651228827 398219263 /nfs/dbraw/zinc/21/92/63/398219263.db2.gz ISUFFYZNDLEQHE-ROUUACIJSA-N 2 1 294.483 3.188 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000337528587 214139276 /nfs/dbraw/zinc/13/92/76/214139276.db2.gz BXYVKWBRPXLVGT-UHFFFAOYSA-N 2 1 290.451 3.031 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc3cnccc3o2)C[C@@H]1C ZINC000651644495 398261531 /nfs/dbraw/zinc/26/15/31/398261531.db2.gz SXOWPDZDGLQFQI-ZFWWWQNUSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cnccc3o2)C[C@@H]1C ZINC000651644495 398261534 /nfs/dbraw/zinc/26/15/34/398261534.db2.gz SXOWPDZDGLQFQI-ZFWWWQNUSA-N 2 1 287.407 3.132 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3cnccc3o2)C[C@@H]1C ZINC000651644495 398261536 /nfs/dbraw/zinc/26/15/36/398261536.db2.gz SXOWPDZDGLQFQI-ZFWWWQNUSA-N 2 1 287.407 3.132 20 0 CGADMP C[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](C)C3)cc2)C1 ZINC000337703512 214225635 /nfs/dbraw/zinc/22/56/35/214225635.db2.gz YLYZBAQYPFCJBO-IYBDPMFKSA-N 2 1 272.436 3.370 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](C)C3)cc2)C1 ZINC000337703512 214225639 /nfs/dbraw/zinc/22/56/39/214225639.db2.gz YLYZBAQYPFCJBO-IYBDPMFKSA-N 2 1 272.436 3.370 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](C)C3)cc2)C1 ZINC000337703512 214225641 /nfs/dbraw/zinc/22/56/41/214225641.db2.gz YLYZBAQYPFCJBO-IYBDPMFKSA-N 2 1 272.436 3.370 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651681209 398268556 /nfs/dbraw/zinc/26/85/56/398268556.db2.gz HADOITPYHXPHNS-BXUZGUMPSA-N 2 1 296.817 3.398 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651681209 398268559 /nfs/dbraw/zinc/26/85/59/398268559.db2.gz HADOITPYHXPHNS-BXUZGUMPSA-N 2 1 296.817 3.398 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622005013 349621204 /nfs/dbraw/zinc/62/12/04/349621204.db2.gz XTBAKZBCEXYOMF-CXAGYDPISA-N 2 1 270.376 3.054 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622005013 349621206 /nfs/dbraw/zinc/62/12/06/349621206.db2.gz XTBAKZBCEXYOMF-CXAGYDPISA-N 2 1 270.376 3.054 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338006937 214357134 /nfs/dbraw/zinc/35/71/34/214357134.db2.gz DNOBYKJXMMLYER-NUEKZKHPSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423459031 529453365 /nfs/dbraw/zinc/45/33/65/529453365.db2.gz HLRGSHYUQNVSNT-JQWIXIFHSA-N 2 1 288.407 3.432 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423456124 529453683 /nfs/dbraw/zinc/45/36/83/529453683.db2.gz DFRGADVOEFVEBI-FUHWJXTLSA-N 2 1 286.394 3.436 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000273143553 192055993 /nfs/dbraw/zinc/05/59/93/192055993.db2.gz FRGYQPJXMRFTTJ-AWEZNQCLSA-N 2 1 276.424 3.057 20 0 CGADMP CC[C@@H](C[NH2+]C1CCC(CSC)CC1)[NH+]1CCCC1 ZINC000449075232 529489840 /nfs/dbraw/zinc/48/98/40/529489840.db2.gz MJTUTGLLHCDPDG-GPANFISMSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000125978610 187209267 /nfs/dbraw/zinc/20/92/67/187209267.db2.gz MEJXULAPVQZJDZ-HUUCEWRRSA-N 2 1 264.413 3.359 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000125978610 187209268 /nfs/dbraw/zinc/20/92/68/187209268.db2.gz MEJXULAPVQZJDZ-HUUCEWRRSA-N 2 1 264.413 3.359 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423442293 529567971 /nfs/dbraw/zinc/56/79/71/529567971.db2.gz BMZAGQRHRZJVBU-SUMWQHHRSA-N 2 1 269.392 3.137 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000423457815 529568837 /nfs/dbraw/zinc/56/88/37/529568837.db2.gz GBGOGQARRLXILQ-PBHICJAKSA-N 2 1 276.424 3.253 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423442284 529568993 /nfs/dbraw/zinc/56/89/93/529568993.db2.gz BMZAGQRHRZJVBU-CXAGYDPISA-N 2 1 269.392 3.137 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000449103114 529596570 /nfs/dbraw/zinc/59/65/70/529596570.db2.gz OPOJUVMXSQWYDO-JZXOWHBKSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H](C[NH2+]CCc1c[nH+]cn1C)CC1CCCCC1 ZINC000623086385 349757693 /nfs/dbraw/zinc/75/76/93/349757693.db2.gz NEWCEWLCCGJJDS-AWEZNQCLSA-N 2 1 263.429 3.159 20 0 CGADMP CCC[C@H](C[NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000623086313 349757836 /nfs/dbraw/zinc/75/78/36/349757836.db2.gz JIUKUZMFFAPYTF-MRXNPFEDSA-N 2 1 271.408 3.136 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)ccc1OC ZINC000423392745 529671922 /nfs/dbraw/zinc/67/19/22/529671922.db2.gz LZHDMWLNHJNOEY-CQDKDKBSSA-N 2 1 296.842 3.387 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1F ZINC000369465801 529672973 /nfs/dbraw/zinc/67/29/73/529672973.db2.gz VSCHTBQKEZSJOK-WFASDCNBSA-N 2 1 291.345 3.217 20 0 CGADMP C[C@@H](COc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371580 349792530 /nfs/dbraw/zinc/79/25/30/349792530.db2.gz JXNBNHFOXDJAKM-ZFWWWQNUSA-N 2 1 294.414 3.055 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273156718 192060451 /nfs/dbraw/zinc/06/04/51/192060451.db2.gz JIKHNPNEAHTSLR-HNNXBMFYSA-N 2 1 290.451 3.447 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C(C)(C)C)cn1 ZINC000126455614 187240725 /nfs/dbraw/zinc/24/07/25/187240725.db2.gz HEPQWWUGLYLZQB-GFCCVEGCSA-N 2 1 272.396 3.100 20 0 CGADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000294983382 199283515 /nfs/dbraw/zinc/28/35/15/199283515.db2.gz GRHRMHZTCXMFHS-IIDMSEBBSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623403479 349799640 /nfs/dbraw/zinc/79/96/40/349799640.db2.gz XGXMJPCPYGSOCT-XJKSGUPXSA-N 2 1 278.415 3.392 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)CC1(C)C ZINC000623419834 349803347 /nfs/dbraw/zinc/80/33/47/349803347.db2.gz ZJPSCNLVXNHFNY-CQSZACIVSA-N 2 1 272.392 3.395 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)CC1(C)C ZINC000623419834 349803348 /nfs/dbraw/zinc/80/33/48/349803348.db2.gz ZJPSCNLVXNHFNY-CQSZACIVSA-N 2 1 272.392 3.395 20 0 CGADMP Cc1cnc([C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431953 349807933 /nfs/dbraw/zinc/80/79/33/349807933.db2.gz YOJJHVZHGMYYSG-ZIAGYGMSSA-N 2 1 293.480 3.365 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCCC2)CC1(C)C ZINC000623445428 349811627 /nfs/dbraw/zinc/81/16/27/349811627.db2.gz QXWUPYFMZGQFMR-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623486911 349818292 /nfs/dbraw/zinc/81/82/92/349818292.db2.gz NCPJGNRXZOLHKO-IKGGRYGDSA-N 2 1 296.499 3.433 20 0 CGADMP CCSc1cc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000623497078 349820823 /nfs/dbraw/zinc/82/08/23/349820823.db2.gz WDQKEQJWASUHAV-AWEZNQCLSA-N 2 1 293.480 3.156 20 0 CGADMP CCSc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000623497078 349820825 /nfs/dbraw/zinc/82/08/25/349820825.db2.gz WDQKEQJWASUHAV-AWEZNQCLSA-N 2 1 293.480 3.156 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623542194 349830109 /nfs/dbraw/zinc/83/01/09/349830109.db2.gz QNBOZUIXDMZZNB-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)CC1(C)C ZINC000623544818 349830459 /nfs/dbraw/zinc/83/04/59/349830459.db2.gz MHNZIQNLISHTGF-HUUCEWRRSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656234 349858422 /nfs/dbraw/zinc/85/84/22/349858422.db2.gz PTIHXBWOMDESBA-QGZVFWFLSA-N 2 1 291.483 3.356 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000623656084 349856917 /nfs/dbraw/zinc/85/69/17/349856917.db2.gz MOOKKBHOKNBTEK-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000623656084 349856918 /nfs/dbraw/zinc/85/69/18/349856918.db2.gz MOOKKBHOKNBTEK-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656176 349858173 /nfs/dbraw/zinc/85/81/73/349858173.db2.gz OOCHGWCVXBVMOQ-OJXHRBAXSA-N 2 1 288.435 3.030 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCCO1 ZINC000623864524 349899488 /nfs/dbraw/zinc/89/94/88/349899488.db2.gz RGABPCJPAMNLPV-XDNAFOTISA-N 2 1 296.499 3.292 20 0 CGADMP CCC1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040620913 344964030 /nfs/dbraw/zinc/96/40/30/344964030.db2.gz YUZZDCCJKYTJFT-PCKAHOCUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000040620752 344964485 /nfs/dbraw/zinc/96/44/85/344964485.db2.gz MOBPTCHBRDGEPZ-AWEZNQCLSA-N 2 1 298.377 3.108 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000044533287 345012682 /nfs/dbraw/zinc/01/26/82/345012682.db2.gz PRJVCIMLXVTTLW-QAPCUYQASA-N 2 1 272.436 3.378 20 0 CGADMP Cc1ccccc1C1CC([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000044533520 345012838 /nfs/dbraw/zinc/01/28/38/345012838.db2.gz ABGGTXLSQYQAPX-GTPINHCMSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1ccc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000049670306 345074986 /nfs/dbraw/zinc/07/49/86/345074986.db2.gz NUBILISLLGPDBY-INIZCTEOSA-N 2 1 260.425 3.123 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000070170848 345388258 /nfs/dbraw/zinc/38/82/58/345388258.db2.gz WYJWYUGUSINQBQ-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086279243 345749521 /nfs/dbraw/zinc/74/95/21/345749521.db2.gz HSTGBYSTQWVLJZ-LBPRGKRZSA-N 2 1 295.390 3.063 20 0 CGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000351643309 219159683 /nfs/dbraw/zinc/15/96/83/219159683.db2.gz IMWLWHKDWVDLHV-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000351643309 219159687 /nfs/dbraw/zinc/15/96/87/219159687.db2.gz IMWLWHKDWVDLHV-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000351643309 219159690 /nfs/dbraw/zinc/15/96/90/219159690.db2.gz IMWLWHKDWVDLHV-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccsc21)C1CC1 ZINC000091481558 345816728 /nfs/dbraw/zinc/81/67/28/345816728.db2.gz LVWYWCHAAQEISV-ZDUSSCGKSA-N 2 1 261.394 3.048 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090015897 345777680 /nfs/dbraw/zinc/77/76/80/345777680.db2.gz ZCBAQQZIWPDARP-WBVHZDCISA-N 2 1 274.452 3.185 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1cccc(C)c1 ZINC000090218667 345785292 /nfs/dbraw/zinc/78/52/92/345785292.db2.gz UOFXNSNVIMWLGY-JZXOWHBKSA-N 2 1 290.451 3.082 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nccs2)C1 ZINC000351646095 219160404 /nfs/dbraw/zinc/16/04/04/219160404.db2.gz ORNDORIYWPZFGQ-LSDHHAIUSA-N 2 1 293.480 3.197 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nccs2)C1 ZINC000351646095 219160406 /nfs/dbraw/zinc/16/04/06/219160406.db2.gz ORNDORIYWPZFGQ-LSDHHAIUSA-N 2 1 293.480 3.197 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000351646095 219160409 /nfs/dbraw/zinc/16/04/09/219160409.db2.gz ORNDORIYWPZFGQ-LSDHHAIUSA-N 2 1 293.480 3.197 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000351646095 219160411 /nfs/dbraw/zinc/16/04/11/219160411.db2.gz ORNDORIYWPZFGQ-LSDHHAIUSA-N 2 1 293.480 3.197 20 0 CGADMP C[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000255842249 346398243 /nfs/dbraw/zinc/39/82/43/346398243.db2.gz HCMARDYPQODIDQ-SSGMOAHOSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](C)C2)C1 ZINC000255842249 346398247 /nfs/dbraw/zinc/39/82/47/346398247.db2.gz HCMARDYPQODIDQ-SSGMOAHOSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](C)C2)C1 ZINC000255842249 346398249 /nfs/dbraw/zinc/39/82/49/346398249.db2.gz HCMARDYPQODIDQ-SSGMOAHOSA-N 2 1 250.430 3.006 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257675851 346400711 /nfs/dbraw/zinc/40/07/11/346400711.db2.gz JSCXPUDRDPEYRK-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257675851 346400714 /nfs/dbraw/zinc/40/07/14/346400714.db2.gz JSCXPUDRDPEYRK-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000257730610 346400797 /nfs/dbraw/zinc/40/07/97/346400797.db2.gz XBDATCPDJIRGMS-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000624068196 349962034 /nfs/dbraw/zinc/96/20/34/349962034.db2.gz OIMODYGOQWPZMI-RKTXRCNFSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000624068196 349962037 /nfs/dbraw/zinc/96/20/37/349962037.db2.gz OIMODYGOQWPZMI-RKTXRCNFSA-N 2 1 272.436 3.251 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000312585121 346477511 /nfs/dbraw/zinc/47/75/11/346477511.db2.gz CHRMOWYTIRPINP-KTAKPFMOSA-N 2 1 278.415 3.390 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000312585121 346477512 /nfs/dbraw/zinc/47/75/12/346477512.db2.gz CHRMOWYTIRPINP-KTAKPFMOSA-N 2 1 278.415 3.390 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CCCCCC2)C1 ZINC000568697342 346664562 /nfs/dbraw/zinc/66/45/62/346664562.db2.gz NZENXRQVALEIPX-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CC2CCCCCC2)C1 ZINC000568697342 346664563 /nfs/dbraw/zinc/66/45/63/346664563.db2.gz NZENXRQVALEIPX-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CC2CCCCCC2)C1 ZINC000568697342 346664564 /nfs/dbraw/zinc/66/45/64/346664564.db2.gz NZENXRQVALEIPX-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccnc([C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000583508435 346679758 /nfs/dbraw/zinc/67/97/58/346679758.db2.gz KOAMXYLYMPOPNT-IAGOWNOFSA-N 2 1 287.451 3.054 20 0 CGADMP Cc1ccnc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000583508435 346679763 /nfs/dbraw/zinc/67/97/63/346679763.db2.gz KOAMXYLYMPOPNT-IAGOWNOFSA-N 2 1 287.451 3.054 20 0 CGADMP Cc1ccnc([C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000583508435 346679765 /nfs/dbraw/zinc/67/97/65/346679765.db2.gz KOAMXYLYMPOPNT-IAGOWNOFSA-N 2 1 287.451 3.054 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000598964787 347701766 /nfs/dbraw/zinc/70/17/66/347701766.db2.gz RKYHBKULCMMEHG-MELADBBJSA-N 2 1 270.486 3.123 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000600635868 347821436 /nfs/dbraw/zinc/82/14/36/347821436.db2.gz IAZZAMAMFGNOEG-OAHLLOKOSA-N 2 1 275.440 3.195 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000624120657 349976766 /nfs/dbraw/zinc/97/67/66/349976766.db2.gz DOVZTHIXBMTIQD-DJIMGWMZSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624119758 349976892 /nfs/dbraw/zinc/97/68/92/349976892.db2.gz JAAAWWYJNSETDK-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP CCSCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728013 348019620 /nfs/dbraw/zinc/01/96/20/348019620.db2.gz HDZHAKQDDOKZMS-DOTOQJQBSA-N 2 1 292.492 3.097 20 0 CGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccncc1Cl ZINC000624123073 349981845 /nfs/dbraw/zinc/98/18/45/349981845.db2.gz FLPFBQXXXXCAEO-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123467 349983072 /nfs/dbraw/zinc/98/30/72/349983072.db2.gz MHWOIUAJFORCCD-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123245 349983148 /nfs/dbraw/zinc/98/31/48/349983148.db2.gz IQLDPDLPWWDRPO-FXUDXRNXSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123248 349982601 /nfs/dbraw/zinc/98/26/01/349982601.db2.gz IQLDPDLPWWDRPO-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000339409337 215153281 /nfs/dbraw/zinc/15/32/81/215153281.db2.gz KTJCJSCPWFFQEC-KRWDZBQOSA-N 2 1 275.440 3.072 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cccnc3c2)[C@@H](C)C1 ZINC000607957061 348275959 /nfs/dbraw/zinc/27/59/59/348275959.db2.gz YRYKJXWIPUWXIZ-YOEHRIQHSA-N 2 1 283.419 3.055 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCc3ccsc3)C2)C1 ZINC000339439270 215173227 /nfs/dbraw/zinc/17/32/27/215173227.db2.gz SUUDLKFWGSNWGF-MRXNPFEDSA-N 2 1 278.465 3.098 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCc3ccsc3)C2)C1 ZINC000339439270 215173228 /nfs/dbraw/zinc/17/32/28/215173228.db2.gz SUUDLKFWGSNWGF-MRXNPFEDSA-N 2 1 278.465 3.098 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCc3ccsc3)C2)C1 ZINC000339439270 215173229 /nfs/dbraw/zinc/17/32/29/215173229.db2.gz SUUDLKFWGSNWGF-MRXNPFEDSA-N 2 1 278.465 3.098 20 0 CGADMP CSc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000358033953 233043532 /nfs/dbraw/zinc/04/35/32/233043532.db2.gz MIOVSCZWDFXVFP-HNNXBMFYSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000358033953 233043534 /nfs/dbraw/zinc/04/35/34/233043534.db2.gz MIOVSCZWDFXVFP-HNNXBMFYSA-N 2 1 290.476 3.326 20 0 CGADMP Cc1cccc(C)c1OCCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000358354357 233114787 /nfs/dbraw/zinc/11/47/87/233114787.db2.gz KDDAPMZXASHPAG-KRWDZBQOSA-N 2 1 290.451 3.146 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000358381578 233121032 /nfs/dbraw/zinc/12/10/32/233121032.db2.gz MHKUPBLUQOOMCI-IPYPFGDCSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000358381578 233121035 /nfs/dbraw/zinc/12/10/35/233121035.db2.gz MHKUPBLUQOOMCI-IPYPFGDCSA-N 2 1 264.388 3.267 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)CC[N@H+]1C ZINC000624272272 350015564 /nfs/dbraw/zinc/01/55/64/350015564.db2.gz AQICNYWIHPKGDV-RYUDHWBXSA-N 2 1 278.362 3.181 20 0 CGADMP COc1ccsc1C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000271242512 191022882 /nfs/dbraw/zinc/02/28/82/191022882.db2.gz GEFZSRHETFDRKQ-CHWSQXEVSA-N 2 1 291.420 3.036 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(O)ccc2Cl)C[C@H]1C ZINC000625213625 350141406 /nfs/dbraw/zinc/14/14/06/350141406.db2.gz MRKPPAHQVXMDNY-OCCSQVGLSA-N 2 1 296.842 3.350 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000625855761 350221717 /nfs/dbraw/zinc/22/17/17/350221717.db2.gz MMLUHZPMSWQQTH-UHFFFAOYSA-N 2 1 296.430 3.391 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]CCCn1cc[nH+]c1C ZINC000628205663 350439226 /nfs/dbraw/zinc/43/92/26/350439226.db2.gz YWXBGGODBAJITH-CVEARBPZSA-N 2 1 263.429 3.388 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2[nH]ccc2c1 ZINC000628184046 350427469 /nfs/dbraw/zinc/42/74/69/350427469.db2.gz XUGHYTAWQVWTPB-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2[nH]ccc2c1 ZINC000628184046 350427474 /nfs/dbraw/zinc/42/74/74/350427474.db2.gz XUGHYTAWQVWTPB-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2[nH]ccc2c1 ZINC000628184046 350427477 /nfs/dbraw/zinc/42/74/77/350427477.db2.gz XUGHYTAWQVWTPB-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2[nH]ccc2c1 ZINC000628184046 350427481 /nfs/dbraw/zinc/42/74/81/350427481.db2.gz XUGHYTAWQVWTPB-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000628234545 350456213 /nfs/dbraw/zinc/45/62/13/350456213.db2.gz DMCNOXATJGWEGB-NJAFHUGGSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000628234545 350456216 /nfs/dbraw/zinc/45/62/16/350456216.db2.gz DMCNOXATJGWEGB-NJAFHUGGSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000628234545 350456217 /nfs/dbraw/zinc/45/62/17/350456217.db2.gz DMCNOXATJGWEGB-NJAFHUGGSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000628234545 350456220 /nfs/dbraw/zinc/45/62/20/350456220.db2.gz DMCNOXATJGWEGB-NJAFHUGGSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628210088 350441793 /nfs/dbraw/zinc/44/17/93/350441793.db2.gz GLILDTUUEKJTQT-UHFFFAOYSA-N 2 1 297.324 3.043 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@]1(C)CCCS1 ZINC000628279652 350475365 /nfs/dbraw/zinc/47/53/65/350475365.db2.gz SNPZHKIFOSRHNI-OAHLLOKOSA-N 2 1 270.486 3.080 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3CC[NH3+])cc2c1 ZINC000629531201 350704093 /nfs/dbraw/zinc/70/40/93/350704093.db2.gz DFGWCTRZOJBAKR-KRWDZBQOSA-N 2 1 283.419 3.247 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000629531293 350704321 /nfs/dbraw/zinc/70/43/21/350704321.db2.gz GRIARTPFBGFXOA-NWDGAFQWSA-N 2 1 262.388 3.178 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629537348 350706141 /nfs/dbraw/zinc/70/61/41/350706141.db2.gz INGGPMSTIGSESZ-QGTPRVQTSA-N 2 1 272.436 3.046 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561509 350713787 /nfs/dbraw/zinc/71/37/87/350713787.db2.gz IGEDKNXLEPNFAK-NEPJUHHUSA-N 2 1 280.378 3.272 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629564898 350714059 /nfs/dbraw/zinc/71/40/59/350714059.db2.gz VPUVZZFYBGMCAB-KGLIPLIRSA-N 2 1 292.389 3.416 20 0 CGADMP FC(F)(F)c1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000629581038 350715079 /nfs/dbraw/zinc/71/50/79/350715079.db2.gz KNAKWAQQTBXWST-GFCCVEGCSA-N 2 1 298.352 3.063 20 0 CGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000629581038 350715083 /nfs/dbraw/zinc/71/50/83/350715083.db2.gz KNAKWAQQTBXWST-GFCCVEGCSA-N 2 1 298.352 3.063 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000629390033 350687509 /nfs/dbraw/zinc/68/75/09/350687509.db2.gz HBPLAQNJHJQDJD-HYVNUMGLSA-N 2 1 260.425 3.046 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cc2c1 ZINC000629510020 350699130 /nfs/dbraw/zinc/69/91/30/350699130.db2.gz OHDCXDBFQBGOCI-ZBFHGGJFSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1scc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1C ZINC000631125369 350963687 /nfs/dbraw/zinc/96/36/87/350963687.db2.gz IRRCRURZOQJBPM-UHFFFAOYSA-N 2 1 278.465 3.471 20 0 CGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000631635496 351100548 /nfs/dbraw/zinc/10/05/48/351100548.db2.gz LWALSROOGBZFDE-GOSISDBHSA-N 2 1 288.435 3.147 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000119299806 186817314 /nfs/dbraw/zinc/81/73/14/186817314.db2.gz VCBNVRKVCVNUQB-MRXNPFEDSA-N 2 1 297.446 3.340 20 0 CGADMP FCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291435097 198020603 /nfs/dbraw/zinc/02/06/03/198020603.db2.gz JSYYTQKVXBTPJP-UHFFFAOYSA-N 2 1 290.426 3.334 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000634678357 351563486 /nfs/dbraw/zinc/56/34/86/351563486.db2.gz QEVHKHFLHJQQPG-IRXDYDNUSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634678598 351563861 /nfs/dbraw/zinc/56/38/61/351563861.db2.gz ZCZVDHRWJKTYQB-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634678348 351564111 /nfs/dbraw/zinc/56/41/11/351564111.db2.gz QCEYVGCWAHHBCF-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634684278 351570749 /nfs/dbraw/zinc/57/07/49/351570749.db2.gz LUMHIUCTAPHQAH-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000634733622 351579968 /nfs/dbraw/zinc/57/99/68/351579968.db2.gz JULYDQLPZDBOGK-SNVBAGLBSA-N 2 1 272.845 3.269 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000634957492 351609787 /nfs/dbraw/zinc/60/97/87/351609787.db2.gz OLKGOYVAPUHJKA-INIZCTEOSA-N 2 1 286.463 3.254 20 0 CGADMP Cc1scc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1C ZINC000635017524 351633016 /nfs/dbraw/zinc/63/30/16/351633016.db2.gz DTSXEJQFUQPHPD-JTQLQIEISA-N 2 1 261.394 3.023 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)[C@@H]3CCCC[C@@H]23)cc1 ZINC000634995118 351619132 /nfs/dbraw/zinc/61/91/32/351619132.db2.gz VQOWAJMXKVFJLV-BGISDLHQSA-N 2 1 296.458 3.397 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(F)c1F ZINC000635009512 351627031 /nfs/dbraw/zinc/62/70/31/351627031.db2.gz HPJPNPGPYFHDPC-VXGBXAGGSA-N 2 1 282.378 3.394 20 0 CGADMP CC[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H]1CCCC[NH2+]1 ZINC000635011259 351629293 /nfs/dbraw/zinc/62/92/93/351629293.db2.gz DJINIDBSQSZGNU-RDJZCZTQSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cscc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367613448 234232002 /nfs/dbraw/zinc/23/20/02/234232002.db2.gz COOYERNALZIKMO-RBSFLKMASA-N 2 1 264.438 3.019 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000156319084 188254563 /nfs/dbraw/zinc/25/45/63/188254563.db2.gz DZAUXWPRDCIICH-GDBMZVCRSA-N 2 1 285.435 3.173 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292689213 198377745 /nfs/dbraw/zinc/37/77/45/198377745.db2.gz CJNMAGHSTJPZDY-INIZCTEOSA-N 2 1 289.467 3.287 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292689213 198377746 /nfs/dbraw/zinc/37/77/46/198377746.db2.gz CJNMAGHSTJPZDY-INIZCTEOSA-N 2 1 289.467 3.287 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292689213 198377747 /nfs/dbraw/zinc/37/77/47/198377747.db2.gz CJNMAGHSTJPZDY-INIZCTEOSA-N 2 1 289.467 3.287 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292689213 198377748 /nfs/dbraw/zinc/37/77/48/198377748.db2.gz CJNMAGHSTJPZDY-INIZCTEOSA-N 2 1 289.467 3.287 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2ccccc21 ZINC000164613046 188625289 /nfs/dbraw/zinc/62/52/89/188625289.db2.gz RHNXMHYRTCCIAP-KRWDZBQOSA-N 2 1 269.392 3.249 20 0 CGADMP CC(C)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000271822331 191348839 /nfs/dbraw/zinc/34/88/39/191348839.db2.gz COYSOJHQSGFODG-KRWDZBQOSA-N 2 1 258.409 3.235 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000271897309 191397423 /nfs/dbraw/zinc/39/74/23/191397423.db2.gz XLIOSUAYCVOQRD-ZDUSSCGKSA-N 2 1 291.826 3.456 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1 ZINC000271872436 191380613 /nfs/dbraw/zinc/38/06/13/191380613.db2.gz MZDMIYOGBPOSLA-HNNXBMFYSA-N 2 1 258.409 3.216 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000414179666 235355910 /nfs/dbraw/zinc/35/59/10/235355910.db2.gz LMEKLIRBMVCOET-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171651 235352828 /nfs/dbraw/zinc/35/28/28/235352828.db2.gz DJNMKZYZXIJIFG-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cnccc1C(C)(C)C ZINC000414229670 235369565 /nfs/dbraw/zinc/36/95/65/235369565.db2.gz NDMPRAJZZDMQHW-JKIFEVAISA-N 2 1 289.467 3.197 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414229670 235369568 /nfs/dbraw/zinc/36/95/68/235369568.db2.gz NDMPRAJZZDMQHW-JKIFEVAISA-N 2 1 289.467 3.197 20 0 CGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000414806447 235469125 /nfs/dbraw/zinc/46/91/25/235469125.db2.gz QIKNEOFCIYSHFA-DGCLKSJQSA-N 2 1 291.420 3.010 20 0 CGADMP CCSCC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000273785844 192306433 /nfs/dbraw/zinc/30/64/33/192306433.db2.gz SYEAGGLMBMBUEM-CQSZACIVSA-N 2 1 298.521 3.303 20 0 CGADMP CCSCC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000273785844 192306435 /nfs/dbraw/zinc/30/64/35/192306435.db2.gz SYEAGGLMBMBUEM-CQSZACIVSA-N 2 1 298.521 3.303 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000093693214 138348532 /nfs/dbraw/zinc/34/85/32/138348532.db2.gz JVAJVHSGYQZBDW-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1Cl ZINC000124697568 138377046 /nfs/dbraw/zinc/37/70/46/138377046.db2.gz AFBCOHRNRDZLOU-QWHCGFSZSA-N 2 1 266.816 3.475 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1Cl ZINC000124697568 138377047 /nfs/dbraw/zinc/37/70/47/138377047.db2.gz AFBCOHRNRDZLOU-QWHCGFSZSA-N 2 1 266.816 3.475 20 0 CGADMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)C1CC1 ZINC000128228908 138392697 /nfs/dbraw/zinc/39/26/97/138392697.db2.gz OFNCLPFSLYYNKY-MRXNPFEDSA-N 2 1 273.424 3.137 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000128495743 138394214 /nfs/dbraw/zinc/39/42/14/138394214.db2.gz KZUYRMVUKDFRDO-INIZCTEOSA-N 2 1 289.398 3.179 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423263600 236013923 /nfs/dbraw/zinc/01/39/23/236013923.db2.gz BDNCYZHGZSUGAM-FZMZJTMJSA-N 2 1 252.427 3.042 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000423282171 236020709 /nfs/dbraw/zinc/02/07/09/236020709.db2.gz CDTJCUCCGNWRGQ-ZDUSSCGKSA-N 2 1 269.392 3.137 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423320265 236036634 /nfs/dbraw/zinc/03/66/34/236036634.db2.gz MGNFAOALZFADAU-BXKDBHETSA-N 2 1 281.469 3.137 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423332678 236041915 /nfs/dbraw/zinc/04/19/15/236041915.db2.gz QZQJXOQIZBARGI-OSAQELSMSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2ccccc2n1 ZINC000423397054 236063017 /nfs/dbraw/zinc/06/30/17/236063017.db2.gz UIWCUIDEFZHIPC-VNHYZAJKSA-N 2 1 269.392 3.026 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423514867 236091184 /nfs/dbraw/zinc/09/11/84/236091184.db2.gz XAHWZKZOYFSOCQ-CXAGYDPISA-N 2 1 286.419 3.471 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423513986 236091414 /nfs/dbraw/zinc/09/14/14/236091414.db2.gz WCFTYKIDTZKBGV-PXAZEXFGSA-N 2 1 296.405 3.393 20 0 CGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532176 236093707 /nfs/dbraw/zinc/09/37/07/236093707.db2.gz UZLARSVBGCMYLZ-AWEZNQCLSA-N 2 1 280.412 3.094 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C/C=C/c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424386470 236158838 /nfs/dbraw/zinc/15/88/38/236158838.db2.gz XCWYMKFAWKVFDG-XYBNCVKDSA-N 2 1 288.410 3.303 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccsc1 ZINC000294411929 199030058 /nfs/dbraw/zinc/03/00/58/199030058.db2.gz MXNFVOJAYHZDBB-AWEZNQCLSA-N 2 1 252.427 3.273 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@@H+]1C ZINC000414327299 291148461 /nfs/dbraw/zinc/14/84/61/291148461.db2.gz FYNYYHRRDYTDQG-YJNKXOJESA-N 2 1 282.472 3.041 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC[N@H+]1C ZINC000414327299 291148463 /nfs/dbraw/zinc/14/84/63/291148463.db2.gz FYNYYHRRDYTDQG-YJNKXOJESA-N 2 1 282.472 3.041 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCCC[C@H]1C ZINC000449146643 299288870 /nfs/dbraw/zinc/28/88/70/299288870.db2.gz CUZXYFVJLDBRCK-XDNAFOTISA-N 2 1 296.499 3.028 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297566598 200229714 /nfs/dbraw/zinc/22/97/14/200229714.db2.gz QWFRYRVUMXKDIH-QZTJIDSGSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297566598 200229716 /nfs/dbraw/zinc/22/97/16/200229716.db2.gz QWFRYRVUMXKDIH-QZTJIDSGSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000341877364 216135588 /nfs/dbraw/zinc/13/55/88/216135588.db2.gz NZNSIBOFZPVPLJ-UHFFFAOYSA-N 2 1 269.392 3.251 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000178238945 189100170 /nfs/dbraw/zinc/10/01/70/189100170.db2.gz HYIPRBZYXNGQLM-IAGOWNOFSA-N 2 1 274.452 3.227 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000178707425 189138661 /nfs/dbraw/zinc/13/86/61/189138661.db2.gz SNVOUGSHSGWSBK-CABCVRRESA-N 2 1 271.408 3.487 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3c(F)cccc3Cl)C[C@H]21 ZINC000342081569 216212480 /nfs/dbraw/zinc/21/24/80/216212480.db2.gz HCXFERWIGMJXJI-NORZTCDRSA-N 2 1 296.817 3.081 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccsc1 ZINC000178787086 189145945 /nfs/dbraw/zinc/14/59/45/189145945.db2.gz OLXHOGVSCLWXQS-GFCCVEGCSA-N 2 1 263.410 3.384 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180757847 189273432 /nfs/dbraw/zinc/27/34/32/189273432.db2.gz BWVGSZDCCRRUEP-HZPDHXFCSA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180757847 189273433 /nfs/dbraw/zinc/27/34/33/189273433.db2.gz BWVGSZDCCRRUEP-HZPDHXFCSA-N 2 1 290.451 3.261 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000183124943 189347301 /nfs/dbraw/zinc/34/73/01/189347301.db2.gz AKCJIEKWGFMIIR-JQHSSLGASA-N 2 1 270.420 3.039 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000449089245 239171947 /nfs/dbraw/zinc/17/19/47/239171947.db2.gz JLQZJOXKGSGHOO-DQYPLSBCSA-N 2 1 294.389 3.285 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CCc1cccc(C)c1 ZINC000449160604 239212737 /nfs/dbraw/zinc/21/27/37/239212737.db2.gz BYIGPURHOIMQST-UHFFFAOYSA-N 2 1 271.408 3.112 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233015 239258425 /nfs/dbraw/zinc/25/84/25/239258425.db2.gz KBNZYKOXWIRDSY-BFYDXBDKSA-N 2 1 290.451 3.453 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1F ZINC000449328363 239318675 /nfs/dbraw/zinc/31/86/75/239318675.db2.gz FLFISSSHTMIGGC-HOCLYGCPSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1F ZINC000449328363 239318681 /nfs/dbraw/zinc/31/86/81/239318681.db2.gz FLFISSSHTMIGGC-HOCLYGCPSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1F ZINC000449328363 239318683 /nfs/dbraw/zinc/31/86/83/239318683.db2.gz FLFISSSHTMIGGC-HOCLYGCPSA-N 2 1 276.399 3.050 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420293658 297312127 /nfs/dbraw/zinc/31/21/27/297312127.db2.gz AAVHDHVRZFMMFL-UGUYLWEFSA-N 2 1 250.430 3.029 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCCS2 ZINC000335551552 294109867 /nfs/dbraw/zinc/10/98/67/294109867.db2.gz IEYMSSDANWLZDZ-CYBMUJFWSA-N 2 1 282.840 3.076 20 0 CGADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OCC1CC1 ZINC000120349961 370759689 /nfs/dbraw/zinc/75/96/89/370759689.db2.gz CQNVHCRQYFPXSH-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OCC1CC1 ZINC000120349961 370759694 /nfs/dbraw/zinc/75/96/94/370759694.db2.gz CQNVHCRQYFPXSH-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000335644330 212361299 /nfs/dbraw/zinc/36/12/99/212361299.db2.gz UCALJFTUAIECNV-SWLSCSKDSA-N 2 1 278.827 3.401 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000335644330 212361301 /nfs/dbraw/zinc/36/13/01/212361301.db2.gz UCALJFTUAIECNV-SWLSCSKDSA-N 2 1 278.827 3.401 20 0 CGADMP C[C@](C[NH3+])([NH2+]CCSc1ccc(Cl)cc1)C1CC1 ZINC000430559596 291332785 /nfs/dbraw/zinc/33/27/85/291332785.db2.gz DRWQWGDZIPYDLS-CQSZACIVSA-N 2 1 284.856 3.149 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2CCn2ccnc2)cc1 ZINC000120916092 370813439 /nfs/dbraw/zinc/81/34/39/370813439.db2.gz KMKGQCCTUVVYEN-QGZVFWFLSA-N 2 1 285.391 3.119 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275609609 193085211 /nfs/dbraw/zinc/08/52/11/193085211.db2.gz QVEVUBPEGVKMMP-OALUTQOASA-N 2 1 284.447 3.249 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000275674694 193101513 /nfs/dbraw/zinc/10/15/13/193101513.db2.gz VVMBZMQSRKWZED-STQMWFEESA-N 2 1 289.810 3.450 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000275707389 193110206 /nfs/dbraw/zinc/11/02/06/193110206.db2.gz KKOFJZAHWXQPGU-COXVUDFISA-N 2 1 276.399 3.146 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000275707389 193110208 /nfs/dbraw/zinc/11/02/08/193110208.db2.gz KKOFJZAHWXQPGU-COXVUDFISA-N 2 1 276.399 3.146 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000335544008 212244717 /nfs/dbraw/zinc/24/47/17/212244717.db2.gz PVCNRBAPOYTMSW-GFCCVEGCSA-N 2 1 264.438 3.021 20 0 CGADMP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459419753 242101227 /nfs/dbraw/zinc/10/12/27/242101227.db2.gz XBGMJLDIHSTXFA-YOEHRIQHSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCC1 ZINC000459778639 242228063 /nfs/dbraw/zinc/22/80/63/242228063.db2.gz YUTCMUSUXLAYMU-CQSZACIVSA-N 2 1 281.469 3.263 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000462803089 242364309 /nfs/dbraw/zinc/36/43/09/242364309.db2.gz NCLCDIGAKPCRTL-QAPCUYQASA-N 2 1 272.436 3.192 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000479697176 243120619 /nfs/dbraw/zinc/12/06/19/243120619.db2.gz ZBQQUEKQYOJHHP-PBHICJAKSA-N 2 1 290.426 3.393 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000483195419 243265340 /nfs/dbraw/zinc/26/53/40/243265340.db2.gz JEJIYDZNMMWRMD-CZUORRHYSA-N 2 1 278.415 3.033 20 0 CGADMP C(CCC1CCCC1)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484893501 243324412 /nfs/dbraw/zinc/32/44/12/243324412.db2.gz MNJUYYHOLYMDPI-KSZLIROESA-N 2 1 294.483 3.094 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000485256596 243330487 /nfs/dbraw/zinc/33/04/87/243330487.db2.gz YCEBHVOJICQVHA-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256596 243330489 /nfs/dbraw/zinc/33/04/89/243330489.db2.gz YCEBHVOJICQVHA-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256596 243330492 /nfs/dbraw/zinc/33/04/92/243330492.db2.gz YCEBHVOJICQVHA-HNNXBMFYSA-N 2 1 280.843 3.156 20 0 CGADMP CCOc1cccc(CN(C)C2CC[NH+](CC)CC2)c1 ZINC000125194265 370932646 /nfs/dbraw/zinc/93/26/46/370932646.db2.gz KTBCUOOQJRYEQV-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1cccc(C[N@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000125194265 370932653 /nfs/dbraw/zinc/93/26/53/370932653.db2.gz KTBCUOOQJRYEQV-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1cccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000125194265 370932657 /nfs/dbraw/zinc/93/26/57/370932657.db2.gz KTBCUOOQJRYEQV-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CC=CCC2)CCCCC1 ZINC000019231895 368745807 /nfs/dbraw/zinc/74/58/07/368745807.db2.gz PNRKVRCBVIEXSP-OAHLLOKOSA-N 2 1 250.430 3.197 20 0 CGADMP COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000027704378 368875397 /nfs/dbraw/zinc/87/53/97/368875397.db2.gz LNUZJEFWXKCPRS-UHFFFAOYSA-N 2 1 284.403 3.046 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000037140911 369067541 /nfs/dbraw/zinc/06/75/41/369067541.db2.gz LFBZRLWYTNBTFX-GFCCVEGCSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000037648851 369095582 /nfs/dbraw/zinc/09/55/82/369095582.db2.gz PKMNDOOIMHWOES-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000037649079 369095873 /nfs/dbraw/zinc/09/58/73/369095873.db2.gz PABFNJJTWTUKEK-TZMCWYRMSA-N 2 1 278.465 3.500 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCSc1ccccc1 ZINC000037904186 369124158 /nfs/dbraw/zinc/12/41/58/369124158.db2.gz ZQDVNFBKQYNNDW-IJEWVQPXSA-N 2 1 278.465 3.097 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)s1 ZINC000041631565 369192889 /nfs/dbraw/zinc/19/28/89/369192889.db2.gz IFLKQLHFUGUIJI-QWHCGFSZSA-N 2 1 266.454 3.303 20 0 CGADMP CCn1cc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)cn1 ZINC000044499690 369263821 /nfs/dbraw/zinc/26/38/21/369263821.db2.gz CIFOWHTYCLXFDH-HNNXBMFYSA-N 2 1 292.471 3.208 20 0 CGADMP CCn1cc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000044499690 369263825 /nfs/dbraw/zinc/26/38/25/369263825.db2.gz CIFOWHTYCLXFDH-HNNXBMFYSA-N 2 1 292.471 3.208 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)cc1C ZINC000495108141 244357906 /nfs/dbraw/zinc/35/79/06/244357906.db2.gz LFYFLARGOJOHNT-AEFFLSMTSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1C ZINC000495108141 244357912 /nfs/dbraw/zinc/35/79/12/244357912.db2.gz LFYFLARGOJOHNT-AEFFLSMTSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1C ZINC000495108141 244357914 /nfs/dbraw/zinc/35/79/14/244357914.db2.gz LFYFLARGOJOHNT-AEFFLSMTSA-N 2 1 272.436 3.138 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)C1CCCC1)[NH+]1CCCC1 ZINC000054077892 369492379 /nfs/dbraw/zinc/49/23/79/369492379.db2.gz GWYQTEUBDIUKLR-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000061909941 369612106 /nfs/dbraw/zinc/61/21/06/369612106.db2.gz XHYGGLAFSATESL-CCNLRDMRSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062014534 369613394 /nfs/dbraw/zinc/61/33/94/369613394.db2.gz YZUFKTITFLLNSR-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP CC(C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000063200219 369644531 /nfs/dbraw/zinc/64/45/31/369644531.db2.gz UOPXXDBJRMFYQU-OAHLLOKOSA-N 2 1 293.480 3.231 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065385195 369671221 /nfs/dbraw/zinc/67/12/21/369671221.db2.gz AQUHFHUJXNOFJP-OLZOCXBDSA-N 2 1 287.794 3.219 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C1(c2ccccc2)CCCC1 ZINC000276497054 193356802 /nfs/dbraw/zinc/35/68/02/193356802.db2.gz WKNYYQLYWASLOJ-INIZCTEOSA-N 2 1 297.446 3.453 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000070074555 369778847 /nfs/dbraw/zinc/77/88/47/369778847.db2.gz UWQCGAOSAQFTNV-NEPJUHHUSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000070074555 369778848 /nfs/dbraw/zinc/77/88/48/369778848.db2.gz UWQCGAOSAQFTNV-NEPJUHHUSA-N 2 1 297.240 3.008 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000070148417 369781805 /nfs/dbraw/zinc/78/18/05/369781805.db2.gz VBNFHAHVISYSPF-CQSZACIVSA-N 2 1 252.789 3.043 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000070148417 369781807 /nfs/dbraw/zinc/78/18/07/369781807.db2.gz VBNFHAHVISYSPF-CQSZACIVSA-N 2 1 252.789 3.043 20 0 CGADMP Cc1ccc(OCCC[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000070170995 369786200 /nfs/dbraw/zinc/78/62/00/369786200.db2.gz GAWLPIRETJBSHV-KRWDZBQOSA-N 2 1 290.451 3.133 20 0 CGADMP CC(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656604 369864417 /nfs/dbraw/zinc/86/44/17/369864417.db2.gz XBHWQXGCEDPGMM-NVXWUHKLSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656604 369864422 /nfs/dbraw/zinc/86/44/22/369864422.db2.gz XBHWQXGCEDPGMM-NVXWUHKLSA-N 2 1 260.425 3.285 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1F ZINC000092043319 370089391 /nfs/dbraw/zinc/08/93/91/370089391.db2.gz QCLHZWUCQXMLCD-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1F ZINC000092043319 370089395 /nfs/dbraw/zinc/08/93/95/370089395.db2.gz QCLHZWUCQXMLCD-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1F ZINC000092043319 370089398 /nfs/dbraw/zinc/08/93/98/370089398.db2.gz QCLHZWUCQXMLCD-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1F ZINC000092043319 370089402 /nfs/dbraw/zinc/08/94/02/370089402.db2.gz QCLHZWUCQXMLCD-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000130618196 371046883 /nfs/dbraw/zinc/04/68/83/371046883.db2.gz XVMSXRPYFDQMJE-SJLPKXTDSA-N 2 1 287.451 3.168 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccccc32)CC[N@@H+]1C ZINC000130075903 371012213 /nfs/dbraw/zinc/01/22/13/371012213.db2.gz MZULWBYKCPZSLT-KCQAQPDRSA-N 2 1 276.449 3.296 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000132031217 371147726 /nfs/dbraw/zinc/14/77/26/371147726.db2.gz WUCRACDXWDCSHO-QGZVFWFLSA-N 2 1 292.492 3.193 20 0 CGADMP CC(C)C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccn1 ZINC000132107889 371152000 /nfs/dbraw/zinc/15/20/00/371152000.db2.gz QKOPNLZQPKBIGG-INIZCTEOSA-N 2 1 277.456 3.346 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)ccc2c1 ZINC000132216176 371159410 /nfs/dbraw/zinc/15/94/10/371159410.db2.gz LCGHGIMHCCOKCO-GUYCJALGSA-N 2 1 284.403 3.018 20 0 CGADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(F)ccc43)CC[C@@H]21 ZINC000133712181 371274451 /nfs/dbraw/zinc/27/44/51/371274451.db2.gz QXFIDPNURJBTGS-GUYCJALGSA-N 2 1 299.393 3.294 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(F)ccc43)CC[C@@H]21 ZINC000133712181 371274459 /nfs/dbraw/zinc/27/44/59/371274459.db2.gz QXFIDPNURJBTGS-GUYCJALGSA-N 2 1 299.393 3.294 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000135147661 371395731 /nfs/dbraw/zinc/39/57/31/371395731.db2.gz SWGKEDOBIBGTHC-LPHOPBHVSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000220349685 376207644 /nfs/dbraw/zinc/20/76/44/376207644.db2.gz XSSUTPQBMGHCDI-CGTJXYLNSA-N 2 1 272.436 3.171 20 0 CGADMP Clc1ccccc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150758546 371536555 /nfs/dbraw/zinc/53/65/55/371536555.db2.gz DDFNXWWPVOHLJU-HNNXBMFYSA-N 2 1 292.854 3.300 20 0 CGADMP Clc1ccccc1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150758546 371536561 /nfs/dbraw/zinc/53/65/61/371536561.db2.gz DDFNXWWPVOHLJU-HNNXBMFYSA-N 2 1 292.854 3.300 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccccc2F)CC1 ZINC000137560140 371499003 /nfs/dbraw/zinc/49/90/03/371499003.db2.gz LGPHOEIYGZEXRT-UHFFFAOYSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C(C2CC2)C2CC2)C1 ZINC000151083779 371566274 /nfs/dbraw/zinc/56/62/74/371566274.db2.gz JPFGGBPLBWKNFY-ZDUSSCGKSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C(C2CC2)C2CC2)C1 ZINC000151083779 371566282 /nfs/dbraw/zinc/56/62/82/371566282.db2.gz JPFGGBPLBWKNFY-ZDUSSCGKSA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CC1 ZINC000151167981 371578390 /nfs/dbraw/zinc/57/83/90/371578390.db2.gz NELVCXYXRSDSGY-HZPDHXFCSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CC1 ZINC000151167981 371578396 /nfs/dbraw/zinc/57/83/96/371578396.db2.gz NELVCXYXRSDSGY-HZPDHXFCSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000151601245 371618216 /nfs/dbraw/zinc/61/82/16/371618216.db2.gz VMNGNPYQJSBDRO-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(CCc2ccc(F)c(F)c2)C1 ZINC000152140504 371677196 /nfs/dbraw/zinc/67/71/96/371677196.db2.gz LSXNXTRHTDJUGC-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000152140504 371677207 /nfs/dbraw/zinc/67/72/07/371677207.db2.gz LSXNXTRHTDJUGC-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(F)c(F)c2)C1 ZINC000152140504 371677212 /nfs/dbraw/zinc/67/72/12/371677212.db2.gz LSXNXTRHTDJUGC-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152140504 371677215 /nfs/dbraw/zinc/67/72/15/371677215.db2.gz LSXNXTRHTDJUGC-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152140504 371677217 /nfs/dbraw/zinc/67/72/17/371677217.db2.gz LSXNXTRHTDJUGC-OAHLLOKOSA-N 2 1 296.405 3.171 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353316341 220022473 /nfs/dbraw/zinc/02/24/73/220022473.db2.gz SNBZDNPKFKZQHV-QWHCGFSZSA-N 2 1 274.399 3.132 20 0 CGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000421823956 371647009 /nfs/dbraw/zinc/64/70/09/371647009.db2.gz GEAOYDFULGZOCQ-NSHDSACASA-N 2 1 293.798 3.204 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421831757 371656453 /nfs/dbraw/zinc/65/64/53/371656453.db2.gz LWCQCQZGIBMRCK-GFCCVEGCSA-N 2 1 292.814 3.371 20 0 CGADMP CC(C)COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000152512803 371700211 /nfs/dbraw/zinc/70/02/11/371700211.db2.gz UGMOYNWLLNRMDR-QAPCUYQASA-N 2 1 290.451 3.151 20 0 CGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000289244244 371751682 /nfs/dbraw/zinc/75/16/82/371751682.db2.gz NCIFJRCZZVTMQS-HNNXBMFYSA-N 2 1 294.414 3.142 20 0 CGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000289244244 371751691 /nfs/dbraw/zinc/75/16/91/371751691.db2.gz NCIFJRCZZVTMQS-HNNXBMFYSA-N 2 1 294.414 3.142 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422693246 371756853 /nfs/dbraw/zinc/75/68/53/371756853.db2.gz LOOUJORRJJNWHX-ROUUACIJSA-N 2 1 290.451 3.363 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422693247 371757143 /nfs/dbraw/zinc/75/71/43/371757143.db2.gz LOOUJORRJJNWHX-ZWKOTPCHSA-N 2 1 290.451 3.363 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422711667 371764029 /nfs/dbraw/zinc/76/40/29/371764029.db2.gz NGIOIUGFXSLIMY-AWEZNQCLSA-N 2 1 283.419 3.431 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422710346 371764272 /nfs/dbraw/zinc/76/42/72/371764272.db2.gz LSTVYPDDXNESIA-JQFCIGGWSA-N 2 1 258.409 3.176 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422718151 371765938 /nfs/dbraw/zinc/76/59/38/371765938.db2.gz PFHMYVBRLJPWGK-ZIAGYGMSSA-N 2 1 269.392 3.339 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422764114 371792795 /nfs/dbraw/zinc/79/27/95/371792795.db2.gz JWBNLWBFNZTDLY-IRXDYDNUSA-N 2 1 288.435 3.225 20 0 CGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422731463 371772331 /nfs/dbraw/zinc/77/23/31/371772331.db2.gz LVBFHVIUDXDMAZ-QMTHXVAHSA-N 2 1 287.234 3.471 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422755046 371787887 /nfs/dbraw/zinc/78/78/87/371787887.db2.gz FGZFPFJPFZGSKX-UONOGXRCSA-N 2 1 284.350 3.038 20 0 CGADMP Cc1cccc([C@@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422775515 371799448 /nfs/dbraw/zinc/79/94/48/371799448.db2.gz BOYXPFKDDFORJH-KBPBESRZSA-N 2 1 269.392 3.257 20 0 CGADMP C[C@@H]([NH2+]CCc1ccccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000422777060 371799593 /nfs/dbraw/zinc/79/95/93/371799593.db2.gz FBLMMNCRTBOXHM-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784693 371806595 /nfs/dbraw/zinc/80/65/95/371806595.db2.gz QCXAYRJJUZPIMG-ZIAGYGMSSA-N 2 1 286.341 3.455 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422791626 371811175 /nfs/dbraw/zinc/81/11/75/371811175.db2.gz QLHNDRYVRUWHGK-SQWLQELKSA-N 2 1 278.465 3.287 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422799271 371815795 /nfs/dbraw/zinc/81/57/95/371815795.db2.gz VZWGVEQVMSTMND-UONOGXRCSA-N 2 1 286.341 3.455 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422798435 371815881 /nfs/dbraw/zinc/81/58/81/371815881.db2.gz RBYABKQZUCEGOA-BFQNTYOBSA-N 2 1 282.378 3.189 20 0 CGADMP C[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422798437 371816319 /nfs/dbraw/zinc/81/63/19/371816319.db2.gz RBYABKQZUCEGOA-HWWQOWPSSA-N 2 1 282.378 3.189 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccccc2)CCC1)c1c[nH+]ccc1N ZINC000422807905 371823213 /nfs/dbraw/zinc/82/32/13/371823213.db2.gz KGFNNNMDVSUCOR-CQSZACIVSA-N 2 1 281.403 3.267 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422865454 371844499 /nfs/dbraw/zinc/84/44/99/371844499.db2.gz YECBREGGFFJWLO-ROUUACIJSA-N 2 1 282.387 3.448 20 0 CGADMP C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422900313 371861077 /nfs/dbraw/zinc/86/10/77/371861077.db2.gz AMVQYPRCZSUFDB-UKRRQHHQSA-N 2 1 276.449 3.041 20 0 CGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000422916243 371867166 /nfs/dbraw/zinc/86/71/66/371867166.db2.gz CZWLHRJBHDVODE-KNTRFNDTSA-N 2 1 294.442 3.166 20 0 CGADMP Cc1ccc(Oc2ccccc2C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422854724 371841368 /nfs/dbraw/zinc/84/13/68/371841368.db2.gz BITLBVISLDLTLF-HNNXBMFYSA-N 2 1 296.414 3.485 20 0 CGADMP CC[C@H]([NH2+]CCc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422956976 371890292 /nfs/dbraw/zinc/89/02/92/371890292.db2.gz RTPFBRFTOXLGEV-GJZGRUSLSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)[C@H]1CCCC[NH2+]1 ZINC000422956253 371890663 /nfs/dbraw/zinc/89/06/63/371890663.db2.gz OXGJBIOZRZPRLM-IAQYHMDHSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000290119292 371909947 /nfs/dbraw/zinc/90/99/47/371909947.db2.gz JGIPDIHXITYZGN-JMSVASOKSA-N 2 1 259.397 3.100 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000290119292 371909955 /nfs/dbraw/zinc/90/99/55/371909955.db2.gz JGIPDIHXITYZGN-JMSVASOKSA-N 2 1 259.397 3.100 20 0 CGADMP CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423005281 371911437 /nfs/dbraw/zinc/91/14/37/371911437.db2.gz RBFMBVOXOQYYBI-OFQRWUPVSA-N 2 1 278.465 3.287 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cl)cn1 ZINC000423016998 371916587 /nfs/dbraw/zinc/91/65/87/371916587.db2.gz NTAGDWGXUHFGQI-OCCSQVGLSA-N 2 1 281.831 3.135 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000290163849 371918185 /nfs/dbraw/zinc/91/81/85/371918185.db2.gz DKKFKXVOSDNKRQ-SUMWQHHRSA-N 2 1 256.393 3.086 20 0 CGADMP Cn1cncc1CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000290186668 371926307 /nfs/dbraw/zinc/92/63/07/371926307.db2.gz ZRGBCVWPJUQMQA-OAHLLOKOSA-N 2 1 273.380 3.173 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2C)[C@H](C)C1 ZINC000155465343 371928698 /nfs/dbraw/zinc/92/86/98/371928698.db2.gz VIWKZBWKRUYWGO-SJLPKXTDSA-N 2 1 274.452 3.166 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000423044550 371929785 /nfs/dbraw/zinc/92/97/85/371929785.db2.gz BHDSTQKXRSSEBU-ZIAGYGMSSA-N 2 1 268.351 3.374 20 0 CGADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423121755 371977380 /nfs/dbraw/zinc/97/73/80/371977380.db2.gz IVKROSNQGCYVHQ-HXSCFSKGSA-N 2 1 298.352 3.410 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423136883 371986932 /nfs/dbraw/zinc/98/69/32/371986932.db2.gz ZRTHQXVYIUBWNH-YUMQZZPRSA-N 2 1 296.283 3.199 20 0 CGADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)c1c[nH+]ccc1N ZINC000423137723 371987312 /nfs/dbraw/zinc/98/73/12/371987312.db2.gz WYQXELFXPILYIK-GUYCJALGSA-N 2 1 281.403 3.339 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2ccccn2)cc1 ZINC000423091101 371956289 /nfs/dbraw/zinc/95/62/89/371956289.db2.gz ZIILRIOUGHLSBS-VKJFTORMSA-N 2 1 283.419 3.195 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccsc1 ZINC000423187316 372015635 /nfs/dbraw/zinc/01/56/35/372015635.db2.gz MJFLRIYGTNSDAW-MRXNPFEDSA-N 2 1 289.448 3.364 20 0 CGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[NH2+]C ZINC000423199864 372024726 /nfs/dbraw/zinc/02/47/26/372024726.db2.gz LAIDZRGEXNWBPS-LBPRGKRZSA-N 2 1 260.381 3.255 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423200396 372025096 /nfs/dbraw/zinc/02/50/96/372025096.db2.gz MDUXNULTAWCOIE-CQSZACIVSA-N 2 1 285.391 3.134 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3occc32)CCCCCC1 ZINC000423202859 372026907 /nfs/dbraw/zinc/02/69/07/372026907.db2.gz RMWJLVRNPVPSGJ-AWEZNQCLSA-N 2 1 262.397 3.298 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423202058 372027247 /nfs/dbraw/zinc/02/72/47/372027247.db2.gz AJKBWBQWRVLMAG-AWEZNQCLSA-N 2 1 278.399 3.346 20 0 CGADMP C[C@@H](C1CC1)[NH+](C)CCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000157644692 372031868 /nfs/dbraw/zinc/03/18/68/372031868.db2.gz WGIYSOUORZYYOU-KBPBESRZSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000423209716 372032452 /nfs/dbraw/zinc/03/24/52/372032452.db2.gz JJBCDBKGTGPRCO-OLZOCXBDSA-N 2 1 298.377 3.247 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157673619 372033014 /nfs/dbraw/zinc/03/30/14/372033014.db2.gz DUZMEQFDWVPRQW-NWDGAFQWSA-N 2 1 289.810 3.057 20 0 CGADMP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000423219240 372038454 /nfs/dbraw/zinc/03/84/54/372038454.db2.gz VYIMROSNLQHQPG-SNPRPXQTSA-N 2 1 298.352 3.293 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCCO2 ZINC000423277437 372045505 /nfs/dbraw/zinc/04/55/05/372045505.db2.gz PPJSHUOKZWCQRU-HZPDHXFCSA-N 2 1 276.424 3.090 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CCC1 ZINC000423339016 372054121 /nfs/dbraw/zinc/05/41/21/372054121.db2.gz WGISDGUPAFHGBW-GFCCVEGCSA-N 2 1 285.218 3.452 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]1 ZINC000423374322 372055654 /nfs/dbraw/zinc/05/56/54/372055654.db2.gz JTZMJYLLXZXATJ-KYOSRNDESA-N 2 1 294.826 3.284 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)c1 ZINC000158251428 372062487 /nfs/dbraw/zinc/06/24/87/372062487.db2.gz XIHLYRMWJAAICS-IEBWSBKVSA-N 2 1 286.463 3.248 20 0 CGADMP Cc1ccc(CSCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000158969500 372094983 /nfs/dbraw/zinc/09/49/83/372094983.db2.gz XTXITELNENLTGY-DOTOQJQBSA-N 2 1 292.492 3.158 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292957792 372261739 /nfs/dbraw/zinc/26/17/39/372261739.db2.gz LDUWYNDCOIJKDN-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292957792 372261745 /nfs/dbraw/zinc/26/17/45/372261745.db2.gz LDUWYNDCOIJKDN-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292957792 372261747 /nfs/dbraw/zinc/26/17/47/372261747.db2.gz LDUWYNDCOIJKDN-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292957792 372261751 /nfs/dbraw/zinc/26/17/51/372261751.db2.gz LDUWYNDCOIJKDN-WMLDXEAASA-N 2 1 276.399 3.304 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@@H]1CCCCO1 ZINC000429245440 372327510 /nfs/dbraw/zinc/32/75/10/372327510.db2.gz CIBHTTUCTBIZJV-INIZCTEOSA-N 2 1 293.455 3.117 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000429245440 372327518 /nfs/dbraw/zinc/32/75/18/372327518.db2.gz CIBHTTUCTBIZJV-INIZCTEOSA-N 2 1 293.455 3.117 20 0 CGADMP COCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000161723901 372349874 /nfs/dbraw/zinc/34/98/74/372349874.db2.gz YXEQOPQVXACUMX-HNNXBMFYSA-N 2 1 278.440 3.041 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000429517243 372373830 /nfs/dbraw/zinc/37/38/30/372373830.db2.gz MWVZNINVUSBWBH-JYJNAYRXSA-N 2 1 282.472 3.187 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000429517243 372373836 /nfs/dbraw/zinc/37/38/36/372373836.db2.gz MWVZNINVUSBWBH-JYJNAYRXSA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000430143630 372385980 /nfs/dbraw/zinc/38/59/80/372385980.db2.gz CJRGLOGKFOHWQB-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430939117 372408837 /nfs/dbraw/zinc/40/88/37/372408837.db2.gz FEJKRIODHGYDEK-YJBOKZPZSA-N 2 1 298.430 3.278 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCS2 ZINC000293364273 372365900 /nfs/dbraw/zinc/36/59/00/372365900.db2.gz HOVJTPVIAFHXDF-DOMZBBRYSA-N 2 1 294.464 3.019 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C(C)C)cc1 ZINC000163025835 372441940 /nfs/dbraw/zinc/44/19/40/372441940.db2.gz ALMHIQGJDRQQKC-QGPMSJSTSA-N 2 1 290.451 3.465 20 0 CGADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C(C)C)cc1 ZINC000163025835 372441949 /nfs/dbraw/zinc/44/19/49/372441949.db2.gz ALMHIQGJDRQQKC-QGPMSJSTSA-N 2 1 290.451 3.465 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000163224430 372454845 /nfs/dbraw/zinc/45/48/45/372454845.db2.gz SSQIJVWKPCQJCL-UKRRQHHQSA-N 2 1 254.377 3.009 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000163256682 372457908 /nfs/dbraw/zinc/45/79/08/372457908.db2.gz BQBJEKZXMRMQNH-WDEREUQCSA-N 2 1 286.341 3.096 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000163256682 372457916 /nfs/dbraw/zinc/45/79/16/372457916.db2.gz BQBJEKZXMRMQNH-WDEREUQCSA-N 2 1 286.341 3.096 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163349931 372463663 /nfs/dbraw/zinc/46/36/63/372463663.db2.gz ABHGOGRSKGRZAS-NWDGAFQWSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000293733649 372465071 /nfs/dbraw/zinc/46/50/71/372465071.db2.gz OPBQKYHBPMKHQR-AQDKSWOWSA-N 2 1 290.426 3.390 20 0 CGADMP C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163377436 372465766 /nfs/dbraw/zinc/46/57/66/372465766.db2.gz UZDUXDFPOXITLT-AAEUAGOBSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163377436 372465773 /nfs/dbraw/zinc/46/57/73/372465773.db2.gz UZDUXDFPOXITLT-AAEUAGOBSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163420010 372468793 /nfs/dbraw/zinc/46/87/93/372468793.db2.gz CEYIQWQBSDKRSI-RISCZKNCSA-N 2 1 268.351 3.041 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163459297 372471936 /nfs/dbraw/zinc/47/19/36/372471936.db2.gz PLJLVXJMNZKTNV-YPMHNXCESA-N 2 1 286.341 3.122 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000163839638 372494750 /nfs/dbraw/zinc/49/47/50/372494750.db2.gz XNYRWQIMCKNGBC-CJNGLKHVSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000163839638 372494756 /nfs/dbraw/zinc/49/47/56/372494756.db2.gz XNYRWQIMCKNGBC-CJNGLKHVSA-N 2 1 264.388 3.208 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3C)[C@H](C)C1 ZINC000164412200 372518160 /nfs/dbraw/zinc/51/81/60/372518160.db2.gz GFOHOIPCVVTHHF-CRAIPNDOSA-N 2 1 299.462 3.339 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)o1 ZINC000165343626 372549375 /nfs/dbraw/zinc/54/93/75/372549375.db2.gz UWDSXGQEILGUQM-KGLIPLIRSA-N 2 1 264.413 3.225 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(F)c1 ZINC000166514652 372577274 /nfs/dbraw/zinc/57/72/74/372577274.db2.gz VSBSLRVLCNRHGN-CJNGLKHVSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCCC1 ZINC000168314762 372608271 /nfs/dbraw/zinc/60/82/71/372608271.db2.gz YFBNGVFLWABYQE-KRWDZBQOSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434673958 372700237 /nfs/dbraw/zinc/70/02/37/372700237.db2.gz GLDCXDZEVYMJOO-UHFFFAOYSA-N 2 1 275.440 3.445 20 0 CGADMP CC[N@@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435378908 372753376 /nfs/dbraw/zinc/75/33/76/372753376.db2.gz ACPYKQMQSGPJGU-LAQIPUCWSA-N 2 1 276.399 3.303 20 0 CGADMP CC[N@H+](Cc1ccc(OC)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435388741 372756393 /nfs/dbraw/zinc/75/63/93/372756393.db2.gz HATDUGXAMHAJHI-CQSZACIVSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435388741 372756399 /nfs/dbraw/zinc/75/63/99/372756399.db2.gz HATDUGXAMHAJHI-CQSZACIVSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435392814 372758677 /nfs/dbraw/zinc/75/86/77/372758677.db2.gz XXMCWVXBTGMVLY-HNNXBMFYSA-N 2 1 266.816 3.304 20 0 CGADMP C([NH2+][C@@H]1CCCSC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435747060 372801258 /nfs/dbraw/zinc/80/12/58/372801258.db2.gz DBLHJOUCCGKELV-ZBFHGGJFSA-N 2 1 282.497 3.269 20 0 CGADMP C([NH2+][C@@H]1CCCSC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435747060 372801265 /nfs/dbraw/zinc/80/12/65/372801265.db2.gz DBLHJOUCCGKELV-ZBFHGGJFSA-N 2 1 282.497 3.269 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000344624550 217253205 /nfs/dbraw/zinc/25/32/05/217253205.db2.gz JDZKOKNIBUVGNW-BEFAXECRSA-N 2 1 295.430 3.321 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000353449708 220088174 /nfs/dbraw/zinc/08/81/74/220088174.db2.gz RONLYFAZRAREQJ-OIISXLGYSA-N 2 1 276.399 3.097 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102305 372880432 /nfs/dbraw/zinc/88/04/32/372880432.db2.gz DJHFQBXTCTUHBC-KEYYUXOJSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102305 372880438 /nfs/dbraw/zinc/88/04/38/372880438.db2.gz DJHFQBXTCTUHBC-KEYYUXOJSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102305 372880442 /nfs/dbraw/zinc/88/04/42/372880442.db2.gz DJHFQBXTCTUHBC-KEYYUXOJSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102305 372880446 /nfs/dbraw/zinc/88/04/46/372880446.db2.gz DJHFQBXTCTUHBC-KEYYUXOJSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000438102305 372880449 /nfs/dbraw/zinc/88/04/49/372880449.db2.gz DJHFQBXTCTUHBC-KEYYUXOJSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000172582939 372989775 /nfs/dbraw/zinc/98/97/75/372989775.db2.gz DHMSSDOHHCSLBQ-HZPDHXFCSA-N 2 1 260.425 3.064 20 0 CGADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000172582939 372989780 /nfs/dbraw/zinc/98/97/80/372989780.db2.gz DHMSSDOHHCSLBQ-HZPDHXFCSA-N 2 1 260.425 3.064 20 0 CGADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000172582939 372989785 /nfs/dbraw/zinc/98/97/85/372989785.db2.gz DHMSSDOHHCSLBQ-HZPDHXFCSA-N 2 1 260.425 3.064 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cn1 ZINC000344829177 217324472 /nfs/dbraw/zinc/32/44/72/217324472.db2.gz NBFDEKPKVVXMHX-SJLPKXTDSA-N 2 1 289.467 3.380 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000296360503 373104807 /nfs/dbraw/zinc/10/48/07/373104807.db2.gz HYUUMEWDPNPTBK-OLZOCXBDSA-N 2 1 275.421 3.166 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1c1ccccc1 ZINC000296510499 373159292 /nfs/dbraw/zinc/15/92/92/373159292.db2.gz PLWFWPBDBVIMJY-XBKGPYLPSA-N 2 1 284.447 3.393 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000442917795 373127005 /nfs/dbraw/zinc/12/70/05/373127005.db2.gz BJIBJFBQUKFYIP-ZDUSSCGKSA-N 2 1 293.480 3.362 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2c1 ZINC000442919042 373128103 /nfs/dbraw/zinc/12/81/03/373128103.db2.gz DQUQFKLTHLZHMG-ZDUSSCGKSA-N 2 1 288.391 3.002 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000442918310 373128258 /nfs/dbraw/zinc/12/82/58/373128258.db2.gz GOHZNBPAOUYLOY-ZDUSSCGKSA-N 2 1 274.433 3.462 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431915 373131031 /nfs/dbraw/zinc/13/10/31/373131031.db2.gz NGFNTXUVHRRWBG-ZIAGYGMSSA-N 2 1 296.405 3.390 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057666 373145535 /nfs/dbraw/zinc/14/55/35/373145535.db2.gz HRFNLPXYQSZLLR-LRDDRELGSA-N 2 1 282.378 3.477 20 0 CGADMP CCc1ccccc1CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000444649055 373219227 /nfs/dbraw/zinc/21/92/27/373219227.db2.gz KVZIKEOSJNIRNU-MRXNPFEDSA-N 2 1 274.452 3.065 20 0 CGADMP CCc1ccccc1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000444649055 373219235 /nfs/dbraw/zinc/21/92/35/373219235.db2.gz KVZIKEOSJNIRNU-MRXNPFEDSA-N 2 1 274.452 3.065 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCCC[C@H]1C ZINC000444659777 373224261 /nfs/dbraw/zinc/22/42/61/373224261.db2.gz FCNXCBOZAWYROV-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCCC[C@H]1C ZINC000444659777 373224267 /nfs/dbraw/zinc/22/42/67/373224267.db2.gz FCNXCBOZAWYROV-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000296644231 373206757 /nfs/dbraw/zinc/20/67/57/373206757.db2.gz CZPMMMJYJAHFHO-CQSZACIVSA-N 2 1 250.411 3.051 20 0 CGADMP FC(F)(F)C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444698358 373243142 /nfs/dbraw/zinc/24/31/42/373243142.db2.gz CDAYNYMGVYZULT-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP FC(F)(F)C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444698358 373243146 /nfs/dbraw/zinc/24/31/46/373243146.db2.gz CDAYNYMGVYZULT-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP CCC1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000174350647 373297222 /nfs/dbraw/zinc/29/72/22/373297222.db2.gz FWFLEGMQTDNJTI-IUDNXUCKSA-N 2 1 263.429 3.386 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cccnc32)[C@H](C)C1 ZINC000174770171 373362869 /nfs/dbraw/zinc/36/28/69/373362869.db2.gz LNWMEUINKOFWQO-CRAIPNDOSA-N 2 1 297.446 3.397 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000447819441 373497978 /nfs/dbraw/zinc/49/79/78/373497978.db2.gz AEFFNZDXDHTRBV-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000448077448 373547480 /nfs/dbraw/zinc/54/74/80/373547480.db2.gz MTLZERVSUOQINN-GOSISDBHSA-N 2 1 298.474 3.473 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC000176273486 373576393 /nfs/dbraw/zinc/57/63/93/373576393.db2.gz PKUPJDHQWPKQFF-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000176273486 373576395 /nfs/dbraw/zinc/57/63/95/373576395.db2.gz PKUPJDHQWPKQFF-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000176273486 373576399 /nfs/dbraw/zinc/57/63/99/373576399.db2.gz PKUPJDHQWPKQFF-KRWDZBQOSA-N 2 1 260.425 3.159 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449078862 373660396 /nfs/dbraw/zinc/66/03/96/373660396.db2.gz WHRIZKCDQAEIGT-DLTWYDFYSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000449251727 373674582 /nfs/dbraw/zinc/67/45/82/373674582.db2.gz OUIQAMCBQIQQIA-FMKPAKJESA-N 2 1 250.430 3.053 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000179491794 373879299 /nfs/dbraw/zinc/87/92/99/373879299.db2.gz CKBOYSHPTBHHSH-KRWDZBQOSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000179491794 373879309 /nfs/dbraw/zinc/87/93/09/373879309.db2.gz CKBOYSHPTBHHSH-KRWDZBQOSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1ccc2[nH+]ccc(N(C)CC[N@@H+](C)C3CC3)c2c1 ZINC000302266018 373846916 /nfs/dbraw/zinc/84/69/16/373846916.db2.gz QUENSPAIVJTJAI-UHFFFAOYSA-N 2 1 269.392 3.074 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000449780171 373908573 /nfs/dbraw/zinc/90/85/73/373908573.db2.gz FMNXCYGTZIZWNU-AWEZNQCLSA-N 2 1 297.446 3.099 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000449780171 373908576 /nfs/dbraw/zinc/90/85/76/373908576.db2.gz FMNXCYGTZIZWNU-AWEZNQCLSA-N 2 1 297.446 3.099 20 0 CGADMP C[C@H]1C[C@@H](NC2(c3ccc(F)cc3F)CCC2)CC[N@H+]1C ZINC000179754504 373912973 /nfs/dbraw/zinc/91/29/73/373912973.db2.gz LGJGNVZQNOKLTI-JSGCOSHPSA-N 2 1 294.389 3.416 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CCN1C ZINC000179754504 373912987 /nfs/dbraw/zinc/91/29/87/373912987.db2.gz LGJGNVZQNOKLTI-JSGCOSHPSA-N 2 1 294.389 3.416 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000180280232 373987044 /nfs/dbraw/zinc/98/70/44/373987044.db2.gz ZYHBHUPAGYIHPP-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000180280232 373987050 /nfs/dbraw/zinc/98/70/50/373987050.db2.gz ZYHBHUPAGYIHPP-PBHICJAKSA-N 2 1 276.399 3.050 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnccc1C ZINC000289514026 197384756 /nfs/dbraw/zinc/38/47/56/197384756.db2.gz UXTJXLCKNVYAIU-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000308633897 374173630 /nfs/dbraw/zinc/17/36/30/374173630.db2.gz WXQCYPKZYONKNV-CYBMUJFWSA-N 2 1 274.399 3.276 20 0 CGADMP C[C@H]([NH2+]CCCCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309919901 374204730 /nfs/dbraw/zinc/20/47/30/374204730.db2.gz QIZWGCPMPKAIEK-DOTOQJQBSA-N 2 1 278.415 3.236 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000309571302 374188850 /nfs/dbraw/zinc/18/88/50/374188850.db2.gz LZVFWISYAKCXDP-UHFFFAOYSA-N 2 1 298.430 3.307 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000309571302 374188854 /nfs/dbraw/zinc/18/88/54/374188854.db2.gz LZVFWISYAKCXDP-UHFFFAOYSA-N 2 1 298.430 3.307 20 0 CGADMP Clc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC000311993345 374266387 /nfs/dbraw/zinc/26/63/87/374266387.db2.gz FVWWOCNAEPYMOG-TXEJJXNPSA-N 2 1 299.245 3.425 20 0 CGADMP CC(C)CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000311420380 374241383 /nfs/dbraw/zinc/24/13/83/374241383.db2.gz BILCFTUAMWBZPS-KRWDZBQOSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000312497808 374281171 /nfs/dbraw/zinc/28/11/71/374281171.db2.gz XJDKHKGKDHLAOE-LBPRGKRZSA-N 2 1 289.448 3.483 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601707 374476250 /nfs/dbraw/zinc/47/62/50/374476250.db2.gz VJFOYBWZJSLIIS-NVXWUHKLSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3occc3c2)CC[N@H+]1C ZINC000334449373 374760317 /nfs/dbraw/zinc/76/03/17/374760317.db2.gz JTISDFJOEQIVIU-WFASDCNBSA-N 2 1 258.365 3.005 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3occc3c2)CC[N@H+]1C ZINC000334449371 374761431 /nfs/dbraw/zinc/76/14/31/374761431.db2.gz JTISDFJOEQIVIU-SWLSCSKDSA-N 2 1 258.365 3.005 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(F)c1 ZINC000334413091 374729603 /nfs/dbraw/zinc/72/96/03/374729603.db2.gz MHZJUYTWWUDHBU-GXSJLCMTSA-N 2 1 293.773 3.410 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000094357976 541986565 /nfs/dbraw/zinc/98/65/65/541986565.db2.gz VVCDKLQDTAZVEP-XJKSGUPXSA-N 2 1 258.409 3.136 20 0 CGADMP CCC1(CC)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000186551366 374875705 /nfs/dbraw/zinc/87/57/05/374875705.db2.gz LUBYZHAOMBOESH-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000186839621 374927730 /nfs/dbraw/zinc/92/77/30/374927730.db2.gz FONQZEZFQSOUGO-CQSZACIVSA-N 2 1 286.341 3.016 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(C)C)C1 ZINC000187023488 374958621 /nfs/dbraw/zinc/95/86/21/374958621.db2.gz KMICTRNSZGTTMP-MSOLQXFVSA-N 2 1 274.452 3.185 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000334853286 375038480 /nfs/dbraw/zinc/03/84/80/375038480.db2.gz IGWHPGSNHYWWPG-NEPJUHHUSA-N 2 1 264.800 3.044 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000475362190 375134025 /nfs/dbraw/zinc/13/40/25/375134025.db2.gz UGFYRAUDNSBIKI-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000479482655 375152874 /nfs/dbraw/zinc/15/28/74/375152874.db2.gz KBNKXRYRKOPTLY-JCURWCKSSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000479482655 375152881 /nfs/dbraw/zinc/15/28/81/375152881.db2.gz KBNKXRYRKOPTLY-JCURWCKSSA-N 2 1 276.399 3.133 20 0 CGADMP Clc1ccc(C2([NH2+]C3CC[NH2+]CC3)CC2)cc1Cl ZINC000335217001 375236480 /nfs/dbraw/zinc/23/64/80/375236480.db2.gz VMKFRZIDRSTXLR-UHFFFAOYSA-N 2 1 285.218 3.324 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000488014777 375296357 /nfs/dbraw/zinc/29/63/57/375296357.db2.gz ZZEZMVRDEOTOOS-INIZCTEOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000488014777 375296361 /nfs/dbraw/zinc/29/63/61/375296361.db2.gz ZZEZMVRDEOTOOS-INIZCTEOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000488014777 375296362 /nfs/dbraw/zinc/29/63/62/375296362.db2.gz ZZEZMVRDEOTOOS-INIZCTEOSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000488014777 375296364 /nfs/dbraw/zinc/29/63/64/375296364.db2.gz ZZEZMVRDEOTOOS-INIZCTEOSA-N 2 1 264.388 3.050 20 0 CGADMP C[C@@H](C[NH2+]Cc1cnc(-c2ccsc2)s1)C[NH+](C)C ZINC000491594573 375336249 /nfs/dbraw/zinc/33/62/49/375336249.db2.gz RLGMATROVLSZPE-NSHDSACASA-N 2 1 295.477 3.159 20 0 CGADMP Cc1csc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000335799898 375441045 /nfs/dbraw/zinc/44/10/45/375441045.db2.gz KXRHOSYTSKPRBC-CABCVRRESA-N 2 1 258.390 3.291 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCC(C)C)CC2)oc1C ZINC000190746015 375536326 /nfs/dbraw/zinc/53/63/26/375536326.db2.gz YFMILLQUTCTIQJ-UHFFFAOYSA-N 2 1 293.455 3.139 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191201232 375594715 /nfs/dbraw/zinc/59/47/15/375594715.db2.gz BFILFGARRNAZRD-HOCLYGCPSA-N 2 1 292.471 3.155 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191201232 375594722 /nfs/dbraw/zinc/59/47/22/375594722.db2.gz BFILFGARRNAZRD-HOCLYGCPSA-N 2 1 292.471 3.155 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191102535 375578237 /nfs/dbraw/zinc/57/82/37/375578237.db2.gz OYDVRQFHHXTYEO-AWEZNQCLSA-N 2 1 280.460 3.155 20 0 CGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CCCCCC2)CC1 ZINC000191391698 375622762 /nfs/dbraw/zinc/62/27/62/375622762.db2.gz CCXXUGXUQKIVPM-UHFFFAOYSA-N 2 1 295.515 3.057 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCC(C)C)C1CC1 ZINC000125468091 542036506 /nfs/dbraw/zinc/03/65/06/542036506.db2.gz QPWZABAXFUHTMC-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](CCC(C)C)C1CC1 ZINC000125468091 542036511 /nfs/dbraw/zinc/03/65/11/542036511.db2.gz QPWZABAXFUHTMC-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)CC1CCC1)[NH+]1CCCC1 ZINC000128904813 542053820 /nfs/dbraw/zinc/05/38/20/542053820.db2.gz WBCWXWLGCORNHG-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192675624 375778036 /nfs/dbraw/zinc/77/80/36/375778036.db2.gz YKCJQIPPMSNWLS-MAUKXSAKSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000192922752 375803777 /nfs/dbraw/zinc/80/37/77/375803777.db2.gz PTOFNQWAPOAKSM-WMZOPIPTSA-N 2 1 295.430 3.254 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000192922752 375803785 /nfs/dbraw/zinc/80/37/85/375803785.db2.gz PTOFNQWAPOAKSM-WMZOPIPTSA-N 2 1 295.430 3.254 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000520675411 375868807 /nfs/dbraw/zinc/86/88/07/375868807.db2.gz RVOOICXPYPPVDC-YJBOKZPZSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000520675411 375868816 /nfs/dbraw/zinc/86/88/16/375868816.db2.gz RVOOICXPYPPVDC-YJBOKZPZSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000520675411 375868826 /nfs/dbraw/zinc/86/88/26/375868826.db2.gz RVOOICXPYPPVDC-YJBOKZPZSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000520675411 375868834 /nfs/dbraw/zinc/86/88/34/375868834.db2.gz RVOOICXPYPPVDC-YJBOKZPZSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000520675411 375868842 /nfs/dbraw/zinc/86/88/42/375868842.db2.gz RVOOICXPYPPVDC-YJBOKZPZSA-N 2 1 274.452 3.206 20 0 CGADMP CCCNc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000193363928 375869639 /nfs/dbraw/zinc/86/96/39/375869639.db2.gz MDAKJRQMGYKNMI-DAYGRLMNSA-N 2 1 289.467 3.327 20 0 CGADMP CCSCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336803242 375952762 /nfs/dbraw/zinc/95/27/62/375952762.db2.gz XPPBMYPJYSNNFW-HOTGVXAUSA-N 2 1 284.513 3.326 20 0 CGADMP CCSCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336803242 375952765 /nfs/dbraw/zinc/95/27/65/375952765.db2.gz XPPBMYPJYSNNFW-HOTGVXAUSA-N 2 1 284.513 3.326 20 0 CGADMP CCSCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336803242 375952770 /nfs/dbraw/zinc/95/27/70/375952770.db2.gz XPPBMYPJYSNNFW-HOTGVXAUSA-N 2 1 284.513 3.326 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000336804560 375956746 /nfs/dbraw/zinc/95/67/46/375956746.db2.gz FKAOLLVQKRHUCS-JKSUJKDBSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000336804560 375956749 /nfs/dbraw/zinc/95/67/49/375956749.db2.gz FKAOLLVQKRHUCS-JKSUJKDBSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000194194060 375970267 /nfs/dbraw/zinc/97/02/67/375970267.db2.gz YHEFCRSPGUSIAV-GJZGRUSLSA-N 2 1 271.408 3.221 20 0 CGADMP Cc1ccsc1C[N@@H+](C)CCCCn1ccnc1C ZINC000336799827 375946883 /nfs/dbraw/zinc/94/68/83/375946883.db2.gz KDVNBSQHVNJXRI-UHFFFAOYSA-N 2 1 277.437 3.474 20 0 CGADMP Cc1ccsc1C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336799827 375946892 /nfs/dbraw/zinc/94/68/92/375946892.db2.gz KDVNBSQHVNJXRI-UHFFFAOYSA-N 2 1 277.437 3.474 20 0 CGADMP Cc1ccsc1C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336799827 375946898 /nfs/dbraw/zinc/94/68/98/375946898.db2.gz KDVNBSQHVNJXRI-UHFFFAOYSA-N 2 1 277.437 3.474 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccsc2)CC1 ZINC000534347221 375980013 /nfs/dbraw/zinc/98/00/13/375980013.db2.gz CTOVVPAPXIPIMS-UHFFFAOYSA-N 2 1 266.454 3.300 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000194013017 375950236 /nfs/dbraw/zinc/95/02/36/375950236.db2.gz AOORRVOIYHKNAS-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000194013017 375950241 /nfs/dbraw/zinc/95/02/41/375950241.db2.gz AOORRVOIYHKNAS-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]CCC[NH+]1CCC1 ZINC000535047407 376015264 /nfs/dbraw/zinc/01/52/64/376015264.db2.gz QESIZAXQCHIZFK-UHFFFAOYSA-N 2 1 284.403 3.034 20 0 CGADMP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCCC34CCCC4)CC[N@H+]2C1 ZINC000336886063 376018350 /nfs/dbraw/zinc/01/83/50/376018350.db2.gz BJBQPURLGJEFNP-XHSDSOJGSA-N 2 1 262.441 3.316 20 0 CGADMP Cc1ccoc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652451 376110094 /nfs/dbraw/zinc/11/00/94/376110094.db2.gz MTRSFECQSZXRHV-UHFFFAOYSA-N 2 1 264.413 3.140 20 0 CGADMP CC[C@H](C)C[N@@H+](CC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211974098 376136404 /nfs/dbraw/zinc/13/64/04/376136404.db2.gz VCQDNIHNHJCVQC-AWEZNQCLSA-N 2 1 260.425 3.200 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211946404 376137013 /nfs/dbraw/zinc/13/70/13/376137013.db2.gz GFNUYTHTQUAAFU-KDOFPFPSSA-N 2 1 272.436 3.343 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCC2(CCCCC2)O1 ZINC000337217543 376145990 /nfs/dbraw/zinc/14/59/90/376145990.db2.gz IMSNGFSCALGQQE-QGZVFWFLSA-N 2 1 294.483 3.286 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCC2(CCCCC2)O1 ZINC000337217543 376145994 /nfs/dbraw/zinc/14/59/94/376145994.db2.gz IMSNGFSCALGQQE-QGZVFWFLSA-N 2 1 294.483 3.286 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000537939977 376210748 /nfs/dbraw/zinc/21/07/48/376210748.db2.gz NMRIHHJPSXZMBO-PKOBYXMFSA-N 2 1 288.479 3.474 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000218062058 376182727 /nfs/dbraw/zinc/18/27/27/376182727.db2.gz RZTPLXACWULQIW-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000218062058 376182735 /nfs/dbraw/zinc/18/27/35/376182735.db2.gz RZTPLXACWULQIW-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337272711 376184708 /nfs/dbraw/zinc/18/47/08/376184708.db2.gz OQJONSKVJZAGIV-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337272711 376184711 /nfs/dbraw/zinc/18/47/11/376184711.db2.gz OQJONSKVJZAGIV-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000221281992 376213684 /nfs/dbraw/zinc/21/36/84/376213684.db2.gz FAHWDGOYZCXIOZ-GJZGRUSLSA-N 2 1 260.425 3.412 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000537966093 376214111 /nfs/dbraw/zinc/21/41/11/376214111.db2.gz UJXILNGSNNSPFD-DVOMOZLQSA-N 2 1 292.492 3.445 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221927002 376225358 /nfs/dbraw/zinc/22/53/58/376225358.db2.gz MDINMIJEXPLVBH-HNNXBMFYSA-N 2 1 278.440 3.466 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221927002 376225362 /nfs/dbraw/zinc/22/53/62/376225362.db2.gz MDINMIJEXPLVBH-HNNXBMFYSA-N 2 1 278.440 3.466 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000538396806 376238405 /nfs/dbraw/zinc/23/84/05/376238405.db2.gz CDMVTKBNNFXUNZ-GVDBMIGSSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000538396806 376238409 /nfs/dbraw/zinc/23/84/09/376238409.db2.gz CDMVTKBNNFXUNZ-GVDBMIGSSA-N 2 1 294.483 3.044 20 0 CGADMP C([C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC000538717543 376258881 /nfs/dbraw/zinc/25/88/81/376258881.db2.gz IOKSXEWRPULFDK-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCC(F)(F)C3)CC[C@H]21 ZINC000338279032 376310660 /nfs/dbraw/zinc/31/06/60/376310660.db2.gz IGVUAAUBCTUBRE-RRFJBIMHSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)CC[C@H]21 ZINC000338279032 376310671 /nfs/dbraw/zinc/31/06/71/376310671.db2.gz IGVUAAUBCTUBRE-RRFJBIMHSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)CC[C@H]21 ZINC000338279032 376310676 /nfs/dbraw/zinc/31/06/76/376310676.db2.gz IGVUAAUBCTUBRE-RRFJBIMHSA-N 2 1 286.410 3.228 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC1CC1)CC1CCC1 ZINC000338367769 376352591 /nfs/dbraw/zinc/35/25/91/376352591.db2.gz VXFUGENPOYXUQJ-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@H]1CCCC(F)(F)C1 ZINC000338302190 376324686 /nfs/dbraw/zinc/32/46/86/376324686.db2.gz BPLKMDFCLUYATA-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@H]1CCCC(F)(F)C1 ZINC000338302190 376324693 /nfs/dbraw/zinc/32/46/93/376324693.db2.gz BPLKMDFCLUYATA-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@H]1CCCC(F)(F)C1 ZINC000338302190 376324698 /nfs/dbraw/zinc/32/46/98/376324698.db2.gz BPLKMDFCLUYATA-KBPBESRZSA-N 2 1 274.399 3.086 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226126325 376341269 /nfs/dbraw/zinc/34/12/69/376341269.db2.gz BDGFDKBCHMJKFA-UPJWGTAASA-N 2 1 278.362 3.324 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226126325 376341274 /nfs/dbraw/zinc/34/12/74/376341274.db2.gz BDGFDKBCHMJKFA-UPJWGTAASA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C)C1CC1 ZINC000539050238 376288893 /nfs/dbraw/zinc/28/88/93/376288893.db2.gz HRLJGSRYGJBZAD-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C)C1CC1 ZINC000539050238 376288898 /nfs/dbraw/zinc/28/88/98/376288898.db2.gz HRLJGSRYGJBZAD-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+](Cc1csc2ccccc12)C[C@@H]1CCC[NH2+]C1 ZINC000226435440 376359809 /nfs/dbraw/zinc/35/98/09/376359809.db2.gz JWFPCYLAYZLQAV-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226438314 376360394 /nfs/dbraw/zinc/36/03/94/376360394.db2.gz VAOZEADIJPKRRH-NVXWUHKLSA-N 2 1 260.425 3.315 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226537696 376363328 /nfs/dbraw/zinc/36/33/28/376363328.db2.gz JHIBRCCIWZLGFL-GVXVVHGQSA-N 2 1 284.350 3.018 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)c1cccnc1 ZINC000541747728 376478501 /nfs/dbraw/zinc/47/85/01/376478501.db2.gz AAPYWUOIHGPUKW-KRWDZBQOSA-N 2 1 275.440 3.387 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC000228474991 376435840 /nfs/dbraw/zinc/43/58/40/376435840.db2.gz UPSJGZMBIGHJMK-WDBKCZKBSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC000228474991 376435848 /nfs/dbraw/zinc/43/58/48/376435848.db2.gz UPSJGZMBIGHJMK-WDBKCZKBSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC000228475002 376436885 /nfs/dbraw/zinc/43/68/85/376436885.db2.gz UPSJGZMBIGHJMK-PSOPSSQASA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]21 ZINC000228475002 376436888 /nfs/dbraw/zinc/43/68/88/376436888.db2.gz UPSJGZMBIGHJMK-PSOPSSQASA-N 2 1 282.790 3.038 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C1CC1)C1CCCC1 ZINC000542465717 376545504 /nfs/dbraw/zinc/54/55/04/376545504.db2.gz KNYYONJACHMUMR-UHFFFAOYSA-N 2 1 296.418 3.483 20 0 CGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCCCC1 ZINC000542475742 376547034 /nfs/dbraw/zinc/54/70/34/376547034.db2.gz GTYIVCCOFHAICM-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000235390220 376638797 /nfs/dbraw/zinc/63/87/97/376638797.db2.gz NBGFAEDRGYDVFD-QCEMKRCNSA-N 2 1 250.430 3.051 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000235735019 376650989 /nfs/dbraw/zinc/65/09/89/376650989.db2.gz OUQJTGJHFREJON-QGZVFWFLSA-N 2 1 254.377 3.011 20 0 CGADMP [NH3+]C[C@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000339408897 376750716 /nfs/dbraw/zinc/75/07/16/376750716.db2.gz FWTRJQZEDTYWID-LLVKDONJSA-N 2 1 287.234 3.207 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000339408897 376750721 /nfs/dbraw/zinc/75/07/21/376750721.db2.gz FWTRJQZEDTYWID-LLVKDONJSA-N 2 1 287.234 3.207 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153690101 542113779 /nfs/dbraw/zinc/11/37/79/542113779.db2.gz PANVXRJRUAQZSL-SFFUCWETSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2C1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153690101 542113781 /nfs/dbraw/zinc/11/37/81/542113781.db2.gz PANVXRJRUAQZSL-SFFUCWETSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2C1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153690101 542113783 /nfs/dbraw/zinc/11/37/83/542113783.db2.gz PANVXRJRUAQZSL-SFFUCWETSA-N 2 1 276.468 3.229 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339713884 376819744 /nfs/dbraw/zinc/81/97/44/376819744.db2.gz YKQQKQADGZCDHK-HOTGVXAUSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339713884 376819750 /nfs/dbraw/zinc/81/97/50/376819750.db2.gz YKQQKQADGZCDHK-HOTGVXAUSA-N 2 1 275.440 3.482 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1(C)C ZINC000545420632 376821506 /nfs/dbraw/zinc/82/15/06/376821506.db2.gz PXNNBZWYWFRPRL-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000545420632 376821512 /nfs/dbraw/zinc/82/15/12/376821512.db2.gz PXNNBZWYWFRPRL-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000545420632 376821517 /nfs/dbraw/zinc/82/15/17/376821517.db2.gz PXNNBZWYWFRPRL-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000245708367 376887895 /nfs/dbraw/zinc/88/78/95/376887895.db2.gz SJUOJRNEAQCJCK-HUUCEWRRSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000245708367 376887902 /nfs/dbraw/zinc/88/79/02/376887902.db2.gz SJUOJRNEAQCJCK-HUUCEWRRSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000556864169 376892529 /nfs/dbraw/zinc/89/25/29/376892529.db2.gz BMPMXVDYPHREHD-WKULXVSPSA-N 2 1 294.483 3.044 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000245885404 376925104 /nfs/dbraw/zinc/92/51/04/376925104.db2.gz BPMPUBOIRWPKIS-YKJOPOJSSA-N 2 1 296.499 3.289 20 0 CGADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000557393191 376932875 /nfs/dbraw/zinc/93/28/75/376932875.db2.gz OBMKXMUCDSPHTK-KURKYZTESA-N 2 1 290.426 3.139 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000246342480 377013259 /nfs/dbraw/zinc/01/32/59/377013259.db2.gz GZDSAYQCSZIGGG-CABCVRRESA-N 2 1 254.462 3.379 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246414649 377026193 /nfs/dbraw/zinc/02/61/93/377026193.db2.gz MQXXVMKZBXEECA-YOEHRIQHSA-N 2 1 286.419 3.295 20 0 CGADMP CCc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000246501667 377044217 /nfs/dbraw/zinc/04/42/17/377044217.db2.gz XTKXOJCTQZQUPR-DOMZBBRYSA-N 2 1 266.454 3.130 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000558225861 376986266 /nfs/dbraw/zinc/98/62/66/376986266.db2.gz JOVUYKHIFZDJIB-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000340291186 376987086 /nfs/dbraw/zinc/98/70/86/376987086.db2.gz VADIDSQRTJOGDY-CQSZACIVSA-N 2 1 297.393 3.110 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000246926505 377121310 /nfs/dbraw/zinc/12/13/10/377121310.db2.gz YRKVXXXGLHJBAD-WOJBJXKFSA-N 2 1 298.474 3.497 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CC2(C)CC2)c1 ZINC000558961428 377056122 /nfs/dbraw/zinc/05/61/22/377056122.db2.gz SWMALIYPTOWDDU-UHFFFAOYSA-N 2 1 260.425 3.417 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000246823064 377096064 /nfs/dbraw/zinc/09/60/64/377096064.db2.gz AATJCPLYNMFJOW-NHYWBVRUSA-N 2 1 284.806 3.299 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000246823064 377096070 /nfs/dbraw/zinc/09/60/70/377096070.db2.gz AATJCPLYNMFJOW-NHYWBVRUSA-N 2 1 284.806 3.299 20 0 CGADMP COC[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000246841106 377101682 /nfs/dbraw/zinc/10/16/82/377101682.db2.gz CEGZTNKKJXZFHH-IXDOHACOSA-N 2 1 284.488 3.005 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000246987401 377133549 /nfs/dbraw/zinc/13/35/49/377133549.db2.gz JZUFSIXKVBFNIX-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000246987401 377133557 /nfs/dbraw/zinc/13/35/57/377133557.db2.gz JZUFSIXKVBFNIX-SJLPKXTDSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000247073160 377154152 /nfs/dbraw/zinc/15/41/52/377154152.db2.gz QHWGXRKHENLXEB-SOLBZPMBSA-N 2 1 274.452 3.430 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000247073031 377155408 /nfs/dbraw/zinc/15/54/08/377155408.db2.gz OJEFQPPSRHQFSU-CVEARBPZSA-N 2 1 274.452 3.284 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccoc1 ZINC000247100388 377160357 /nfs/dbraw/zinc/16/03/57/377160357.db2.gz PYZWNAUWGKFTKP-RBSFLKMASA-N 2 1 264.413 3.298 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000247109945 377161850 /nfs/dbraw/zinc/16/18/50/377161850.db2.gz SZPVAQPOXNZJPU-KGLIPLIRSA-N 2 1 250.386 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000247109945 377161856 /nfs/dbraw/zinc/16/18/56/377161856.db2.gz SZPVAQPOXNZJPU-KGLIPLIRSA-N 2 1 250.386 3.051 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCSc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000560521384 377163686 /nfs/dbraw/zinc/16/36/86/377163686.db2.gz KPGFFNAHAHQIMS-IKGGRYGDSA-N 2 1 290.476 3.241 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1C ZINC000340597398 377164198 /nfs/dbraw/zinc/16/41/98/377164198.db2.gz SKEKJAYQYOTTKB-UHFFFAOYSA-N 2 1 260.425 3.303 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247216413 377179666 /nfs/dbraw/zinc/17/96/66/377179666.db2.gz XHIFLJMMJMYWEQ-DGXTUMSLSA-N 2 1 252.446 3.131 20 0 CGADMP COC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000247474928 377209387 /nfs/dbraw/zinc/20/93/87/377209387.db2.gz SXFPEXSZPRFNTP-HZPDHXFCSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H](C[NH2+]C1CCCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000561239801 377213966 /nfs/dbraw/zinc/21/39/66/377213966.db2.gz CPNDPCODEIVRPF-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](C[NH2+]C1CCCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000561239801 377213969 /nfs/dbraw/zinc/21/39/69/377213969.db2.gz CPNDPCODEIVRPF-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CCCC2)[C@@H](C)C1 ZINC000248024641 377258924 /nfs/dbraw/zinc/25/89/24/377258924.db2.gz ONICZOJZDSSXPI-WMZOPIPTSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1Cl ZINC000248500050 377332920 /nfs/dbraw/zinc/33/29/20/377332920.db2.gz NBJCCTJYEZQSIM-XJKCOSOUSA-N 2 1 280.843 3.467 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248155178 377272870 /nfs/dbraw/zinc/27/28/70/377272870.db2.gz RHQDHZSOXILJPM-OIISXLGYSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248155178 377272878 /nfs/dbraw/zinc/27/28/78/377272878.db2.gz RHQDHZSOXILJPM-OIISXLGYSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248155178 377272885 /nfs/dbraw/zinc/27/28/85/377272885.db2.gz RHQDHZSOXILJPM-OIISXLGYSA-N 2 1 258.409 3.164 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000562090545 377276672 /nfs/dbraw/zinc/27/66/72/377276672.db2.gz IZGWNFUPDYVNMX-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000562090545 377276680 /nfs/dbraw/zinc/27/66/80/377276680.db2.gz IZGWNFUPDYVNMX-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC000248653691 377375322 /nfs/dbraw/zinc/37/53/22/377375322.db2.gz ZEQNEXUTNQNXJN-CHWSQXEVSA-N 2 1 282.453 3.139 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC000248653691 377375326 /nfs/dbraw/zinc/37/53/26/377375326.db2.gz ZEQNEXUTNQNXJN-CHWSQXEVSA-N 2 1 282.453 3.139 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000563136150 377407654 /nfs/dbraw/zinc/40/76/54/377407654.db2.gz BMCHLLJPYUGOSV-AEFFLSMTSA-N 2 1 272.436 3.256 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCC=CO2)C1 ZINC000248875108 377417447 /nfs/dbraw/zinc/41/74/47/377417447.db2.gz JBWSFVQLESQHCP-KZNAEPCWSA-N 2 1 292.467 3.266 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248875108 377417463 /nfs/dbraw/zinc/41/74/63/377417463.db2.gz JBWSFVQLESQHCP-KZNAEPCWSA-N 2 1 292.467 3.266 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248875108 377417476 /nfs/dbraw/zinc/41/74/76/377417476.db2.gz JBWSFVQLESQHCP-KZNAEPCWSA-N 2 1 292.467 3.266 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000249439217 377503037 /nfs/dbraw/zinc/50/30/37/377503037.db2.gz LPUOVRWECJGQHX-HZPDHXFCSA-N 2 1 250.430 3.127 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000249439217 377503039 /nfs/dbraw/zinc/50/30/39/377503039.db2.gz LPUOVRWECJGQHX-HZPDHXFCSA-N 2 1 250.430 3.127 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249434004 377503217 /nfs/dbraw/zinc/50/32/17/377503217.db2.gz KJJKHZJBQPXQSX-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249434004 377503222 /nfs/dbraw/zinc/50/32/22/377503222.db2.gz KJJKHZJBQPXQSX-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249434004 377503223 /nfs/dbraw/zinc/50/32/23/377503223.db2.gz KJJKHZJBQPXQSX-NEWSRXKRSA-N 2 1 286.463 3.281 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249086284 377458774 /nfs/dbraw/zinc/45/87/74/377458774.db2.gz BYIJDFYPBRGJGN-MGPQQGTHSA-N 2 1 292.389 3.429 20 0 CGADMP c1cc(C2CCC2)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000563419597 377461931 /nfs/dbraw/zinc/46/19/31/377461931.db2.gz XKGMDWGUFUXNHS-UHFFFAOYSA-N 2 1 258.409 3.140 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1c(F)cccc1Cl ZINC000563425384 377464013 /nfs/dbraw/zinc/46/40/13/377464013.db2.gz OUZZSGGKKWKTHX-HBNTYKKESA-N 2 1 270.779 3.400 20 0 CGADMP CC(C)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000095015729 249043127 /nfs/dbraw/zinc/04/31/27/249043127.db2.gz CKQQBMVDHXCPRR-QAPCUYQASA-N 2 1 274.452 3.457 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OC ZINC000037648808 249002670 /nfs/dbraw/zinc/00/26/70/249002670.db2.gz INMSNIOKZLJYLC-RHSMWYFYSA-N 2 1 288.435 3.220 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000249876506 377538216 /nfs/dbraw/zinc/53/82/16/377538216.db2.gz JGWYCJWEQKQYMO-GOEBONIOSA-N 2 1 276.424 3.035 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000166801032 542176024 /nfs/dbraw/zinc/17/60/24/542176024.db2.gz OAGRAOYZVWZXEO-KURKYZTESA-N 2 1 287.451 3.038 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)CCC[NH+](C)C ZINC000168097966 542176629 /nfs/dbraw/zinc/17/66/29/542176629.db2.gz FAYJXNSQHAMLNY-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)CCC[NH+](C)C ZINC000168097966 542176634 /nfs/dbraw/zinc/17/66/34/542176634.db2.gz FAYJXNSQHAMLNY-UHFFFAOYSA-N 2 1 254.805 3.032 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000166642103 542174537 /nfs/dbraw/zinc/17/45/37/542174537.db2.gz WKZHHZNAAVMXAS-DLBZAZTESA-N 2 1 290.426 3.320 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166831789 542174965 /nfs/dbraw/zinc/17/49/65/542174965.db2.gz ZDJQNUFTSHJROB-JKSUJKDBSA-N 2 1 290.476 3.433 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166831789 542174972 /nfs/dbraw/zinc/17/49/72/542174972.db2.gz ZDJQNUFTSHJROB-JKSUJKDBSA-N 2 1 290.476 3.433 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422905841 249127378 /nfs/dbraw/zinc/12/73/78/249127378.db2.gz SXGMDDURWKEELK-DTWKUNHWSA-N 2 1 283.828 3.165 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000313436607 249091984 /nfs/dbraw/zinc/09/19/84/249091984.db2.gz WBEBLYHOJGRTRP-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP N[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000313902825 249094035 /nfs/dbraw/zinc/09/40/35/249094035.db2.gz PRVPUMBDYYJGGB-VNQPRFMTSA-N 2 1 294.389 3.239 20 0 CGADMP N[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000313902825 249094037 /nfs/dbraw/zinc/09/40/37/249094037.db2.gz PRVPUMBDYYJGGB-VNQPRFMTSA-N 2 1 294.389 3.239 20 0 CGADMP CCC[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470021078 249165677 /nfs/dbraw/zinc/16/56/77/249165677.db2.gz PXLPDCGKTFQNFB-KURKYZTESA-N 2 1 272.436 3.397 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470021078 249165679 /nfs/dbraw/zinc/16/56/79/249165679.db2.gz PXLPDCGKTFQNFB-KURKYZTESA-N 2 1 272.436 3.397 20 0 CGADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000469983908 249164147 /nfs/dbraw/zinc/16/41/47/249164147.db2.gz JLKHMPHBRIWHRJ-DLBZAZTESA-N 2 1 272.436 3.092 20 0 CGADMP Cc1cc(N(C)Cc2ncc[nH]2)c2cc(F)ccc2n1 ZINC000428130908 249131782 /nfs/dbraw/zinc/13/17/82/249131782.db2.gz MKYAUZSFPOEZBS-UHFFFAOYSA-N 2 1 270.311 3.042 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432406632 249133594 /nfs/dbraw/zinc/13/35/94/249133594.db2.gz IBYPMPXOOPIQDC-DLBZAZTESA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432406632 249133595 /nfs/dbraw/zinc/13/35/95/249133595.db2.gz IBYPMPXOOPIQDC-DLBZAZTESA-N 2 1 284.488 3.292 20 0 CGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000469968503 249165175 /nfs/dbraw/zinc/16/51/75/249165175.db2.gz BSNDXDAFFSRAKY-MRXNPFEDSA-N 2 1 290.426 3.032 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccccc2F)C1 ZINC000469968503 249165176 /nfs/dbraw/zinc/16/51/76/249165176.db2.gz BSNDXDAFFSRAKY-MRXNPFEDSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000469968503 249165177 /nfs/dbraw/zinc/16/51/77/249165177.db2.gz BSNDXDAFFSRAKY-MRXNPFEDSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000469968503 249165180 /nfs/dbraw/zinc/16/51/80/249165180.db2.gz BSNDXDAFFSRAKY-MRXNPFEDSA-N 2 1 290.426 3.032 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251270233 377578971 /nfs/dbraw/zinc/57/89/71/377578971.db2.gz BQYZNRGCYSHLFY-LDBYLJPUSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000516272829 249230695 /nfs/dbraw/zinc/23/06/95/249230695.db2.gz LUQZMSQTKZOIMP-AWEZNQCLSA-N 2 1 271.408 3.274 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(C)CC1 ZINC000518619012 249284088 /nfs/dbraw/zinc/28/40/88/249284088.db2.gz CQZXPJLCQURGIR-UHFFFAOYSA-N 2 1 260.425 3.370 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000252108665 377616008 /nfs/dbraw/zinc/61/60/08/377616008.db2.gz JGPPXRLKEHKQHM-SEWXGFMCSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252204280 377617911 /nfs/dbraw/zinc/61/79/11/377617911.db2.gz WWEUPEDQQQTLRD-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H](C)C1 ZINC000574225139 377636739 /nfs/dbraw/zinc/63/67/39/377636739.db2.gz WBSUKELSBRRLMI-UONOGXRCSA-N 2 1 254.462 3.379 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000342357837 377643382 /nfs/dbraw/zinc/64/33/82/377643382.db2.gz NGZDCOYXZGKEKB-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252869745 377667437 /nfs/dbraw/zinc/66/74/37/377667437.db2.gz SBMUFNFOBZUJFX-PSHZPRKYSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252869745 377667446 /nfs/dbraw/zinc/66/74/46/377667446.db2.gz SBMUFNFOBZUJFX-PSHZPRKYSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000342695586 377740949 /nfs/dbraw/zinc/74/09/49/377740949.db2.gz BDBYVAZKQRLWEC-HOTGVXAUSA-N 2 1 284.488 3.028 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000342695587 377741682 /nfs/dbraw/zinc/74/16/82/377741682.db2.gz BDBYVAZKQRLWEC-HZPDHXFCSA-N 2 1 284.488 3.028 20 0 CGADMP C[C@@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@H]1C ZINC000255275924 377746326 /nfs/dbraw/zinc/74/63/26/377746326.db2.gz DYQIWAYNOSOMIZ-ZJBFNYKTSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261583191 377824422 /nfs/dbraw/zinc/82/44/22/377824422.db2.gz RRIVFXBALDBCNH-BBBLOLIVSA-N 2 1 260.303 3.092 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc4ccccc34)C[C@H]12 ZINC000261631287 377829416 /nfs/dbraw/zinc/82/94/16/377829416.db2.gz WAKUGTJNCITBMJ-TUKIKUTGSA-N 2 1 272.417 3.070 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000261690285 377839424 /nfs/dbraw/zinc/83/94/24/377839424.db2.gz KPXMTMTVGBKMFG-MSOLQXFVSA-N 2 1 298.405 3.308 20 0 CGADMP c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000261933399 377869259 /nfs/dbraw/zinc/86/92/59/377869259.db2.gz LVCXTXXQTONJQT-DOTOQJQBSA-N 2 1 258.409 3.213 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]2C ZINC000261988598 377875577 /nfs/dbraw/zinc/87/55/77/377875577.db2.gz SBZQRZUGMHAGDC-ZNMIVQPWSA-N 2 1 288.435 3.002 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000261720609 377844401 /nfs/dbraw/zinc/84/44/01/377844401.db2.gz JHGCEJSMFXHVGA-AWEZNQCLSA-N 2 1 293.461 3.042 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000261720609 377844405 /nfs/dbraw/zinc/84/44/05/377844405.db2.gz JHGCEJSMFXHVGA-AWEZNQCLSA-N 2 1 293.461 3.042 20 0 CGADMP C[C@@]1(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261751353 377849478 /nfs/dbraw/zinc/84/94/78/377849478.db2.gz JWEGKZWNGNXXPO-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000575599715 377920686 /nfs/dbraw/zinc/92/06/86/377920686.db2.gz OHYYPNKVROXKKU-OAGGEKHMSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000575599715 377920694 /nfs/dbraw/zinc/92/06/94/377920694.db2.gz OHYYPNKVROXKKU-OAGGEKHMSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000575599715 377920697 /nfs/dbraw/zinc/92/06/97/377920697.db2.gz OHYYPNKVROXKKU-OAGGEKHMSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000575599715 377920703 /nfs/dbraw/zinc/92/07/03/377920703.db2.gz OHYYPNKVROXKKU-OAGGEKHMSA-N 2 1 266.473 3.475 20 0 CGADMP c1coc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000264606749 377990505 /nfs/dbraw/zinc/99/05/05/377990505.db2.gz DKDDJMCOXDSYEL-UHFFFAOYSA-N 2 1 293.370 3.150 20 0 CGADMP CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268838847 378126784 /nfs/dbraw/zinc/12/67/84/378126784.db2.gz MECKSTKETZNVRC-KGLIPLIRSA-N 2 1 287.407 3.256 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccccc1C ZINC000268844880 378130460 /nfs/dbraw/zinc/13/04/60/378130460.db2.gz ITKPSBDTWOMBOY-OAHLLOKOSA-N 2 1 271.408 3.111 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000268865531 378135479 /nfs/dbraw/zinc/13/54/79/378135479.db2.gz TVGPUNRAQREARS-HIFRSBDPSA-N 2 1 278.465 3.447 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]CCCCn1cc[nH+]c1C ZINC000268871876 378137528 /nfs/dbraw/zinc/13/75/28/378137528.db2.gz HWCCXVUSXWPGEQ-QGZVFWFLSA-N 2 1 299.418 3.257 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000579353653 378152885 /nfs/dbraw/zinc/15/28/85/378152885.db2.gz GUCFIQQEAYZMCM-RHSMWYFYSA-N 2 1 276.399 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000268920922 378153103 /nfs/dbraw/zinc/15/31/03/378153103.db2.gz UQKWSLOACRLQNS-KRWDZBQOSA-N 2 1 287.382 3.388 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)s2)C1 ZINC000269129709 378191278 /nfs/dbraw/zinc/19/12/78/378191278.db2.gz IRJIPBRCNYFBJC-WCQYABFASA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)s2)C1 ZINC000269129709 378191284 /nfs/dbraw/zinc/19/12/84/378191284.db2.gz IRJIPBRCNYFBJC-WCQYABFASA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)s2)C1 ZINC000269129709 378191289 /nfs/dbraw/zinc/19/12/89/378191289.db2.gz IRJIPBRCNYFBJC-WCQYABFASA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)s2)C1 ZINC000269129709 378191296 /nfs/dbraw/zinc/19/12/96/378191296.db2.gz IRJIPBRCNYFBJC-WCQYABFASA-N 2 1 284.856 3.318 20 0 CGADMP CC[C@](C)([NH2+]CCCc1c[nH+]cn1C)c1nc(C)cs1 ZINC000579849000 378201616 /nfs/dbraw/zinc/20/16/16/378201616.db2.gz DLLXZIHRYQPOSP-HNNXBMFYSA-N 2 1 292.452 3.033 20 0 CGADMP C[C@H](Cc1ccsc1)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580363743 378244374 /nfs/dbraw/zinc/24/43/74/378244374.db2.gz LXNIHYWPBFLQIZ-SLHHOWHOSA-N 2 1 278.465 3.236 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580363743 378244381 /nfs/dbraw/zinc/24/43/81/378244381.db2.gz LXNIHYWPBFLQIZ-SLHHOWHOSA-N 2 1 278.465 3.236 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000582235434 378295481 /nfs/dbraw/zinc/29/54/81/378295481.db2.gz KBLNBVHYNZTAKB-MRXNPFEDSA-N 2 1 276.424 3.106 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCSC1CCCCC1)C2 ZINC000595504788 378402505 /nfs/dbraw/zinc/40/25/05/378402505.db2.gz MGVUQNQSPXJMRS-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCSC1CCCCC1)C2 ZINC000595504788 378402509 /nfs/dbraw/zinc/40/25/09/378402509.db2.gz MGVUQNQSPXJMRS-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCSC1CCCCC1)C2 ZINC000595504788 378402514 /nfs/dbraw/zinc/40/25/14/378402514.db2.gz MGVUQNQSPXJMRS-KRWDZBQOSA-N 2 1 296.524 3.470 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000270908893 378412648 /nfs/dbraw/zinc/41/26/48/378412648.db2.gz SLNCODTUXNMTOV-QGZVFWFLSA-N 2 1 269.392 3.323 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000270619544 378375906 /nfs/dbraw/zinc/37/59/06/378375906.db2.gz DCOQXPGJDALDMN-UHFFFAOYSA-N 2 1 297.324 3.342 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000270619544 378375914 /nfs/dbraw/zinc/37/59/14/378375914.db2.gz DCOQXPGJDALDMN-UHFFFAOYSA-N 2 1 297.324 3.342 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000271175553 378470131 /nfs/dbraw/zinc/47/01/31/378470131.db2.gz FTZFMBDZFKFALK-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3cc[nH]c32)CC[N@H+]1C ZINC000271175553 378470135 /nfs/dbraw/zinc/47/01/35/378470135.db2.gz FTZFMBDZFKFALK-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3cc[nH]c32)CC[NH+]1C ZINC000271175553 378470138 /nfs/dbraw/zinc/47/01/38/378470138.db2.gz FTZFMBDZFKFALK-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3cc[nH]c32)CC[NH+]1C ZINC000271175553 378470141 /nfs/dbraw/zinc/47/01/41/378470141.db2.gz FTZFMBDZFKFALK-CZUORRHYSA-N 2 1 271.408 3.082 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000346165701 378486773 /nfs/dbraw/zinc/48/67/73/378486773.db2.gz IRIQCBHKEQVKFS-OAHLLOKOSA-N 2 1 284.407 3.054 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CCn2ccnc2)cc1 ZINC000346315606 378540061 /nfs/dbraw/zinc/54/00/61/378540061.db2.gz UEYXWMXISIWHDN-ZWKOTPCHSA-N 2 1 283.419 3.460 20 0 CGADMP C[C@H]([NH2+]CC1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272435649 378637439 /nfs/dbraw/zinc/63/74/39/378637439.db2.gz IBQZILVBRNSPGU-MAUKXSAKSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000346555293 378618680 /nfs/dbraw/zinc/61/86/80/378618680.db2.gz KZQUEQAQKKTDOS-MRXNPFEDSA-N 2 1 282.472 3.044 20 0 CGADMP c1ccc(-c2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000346630382 378653806 /nfs/dbraw/zinc/65/38/06/378653806.db2.gz BWMYLUNZGJEMRY-UHFFFAOYSA-N 2 1 266.388 3.149 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000346630382 378653808 /nfs/dbraw/zinc/65/38/08/378653808.db2.gz BWMYLUNZGJEMRY-UHFFFAOYSA-N 2 1 266.388 3.149 20 0 CGADMP CC[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000266158551 190235254 /nfs/dbraw/zinc/23/52/54/190235254.db2.gz MVPIQWIMTDNNFP-UHFFFAOYSA-N 2 1 261.394 3.193 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000346693848 378678384 /nfs/dbraw/zinc/67/83/84/378678384.db2.gz QAVUAMKGWDWYRT-GHMZBOCLSA-N 2 1 293.461 3.041 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC000638074907 378686956 /nfs/dbraw/zinc/68/69/56/378686956.db2.gz BSZIAKFRUKREPO-AWEZNQCLSA-N 2 1 286.394 3.362 20 0 CGADMP c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346859631 378694810 /nfs/dbraw/zinc/69/48/10/378694810.db2.gz SXKINRPSUNMFFC-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CSCCc3ccccc32)CC[N@@H+]1C ZINC000348034180 378760124 /nfs/dbraw/zinc/76/01/24/378760124.db2.gz BMAREQLAANQDQK-FRFSOERESA-N 2 1 290.476 3.089 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CSCCc3ccccc32)CC[N@H+]1C ZINC000348034180 378760128 /nfs/dbraw/zinc/76/01/28/378760128.db2.gz BMAREQLAANQDQK-FRFSOERESA-N 2 1 290.476 3.089 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CC1(F)F ZINC000638300911 378761760 /nfs/dbraw/zinc/76/17/60/378761760.db2.gz LCFVDZVPFHYHBG-JSGCOSHPSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC2CCSCC2)C1 ZINC000638365547 378778686 /nfs/dbraw/zinc/77/86/86/378778686.db2.gz FTSORFMESVHWIU-OAHLLOKOSA-N 2 1 284.513 3.231 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000638435721 378802701 /nfs/dbraw/zinc/80/27/01/378802701.db2.gz WYYLXFHAWSISIA-GOSISDBHSA-N 2 1 290.451 3.186 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)oc4ccccc43)C[C@H]12 ZINC000346830913 218029371 /nfs/dbraw/zinc/02/93/71/218029371.db2.gz PPTJOZNTFSDQRV-SCDSUCTJSA-N 2 1 290.794 3.255 20 0 CGADMP COc1ccc([C@@H](C)C[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000346851095 218035825 /nfs/dbraw/zinc/03/58/25/218035825.db2.gz QFPSWCSJJFUBPY-INIZCTEOSA-N 2 1 298.430 3.260 20 0 CGADMP COc1ccc([C@@H](C)C[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000346851095 218035828 /nfs/dbraw/zinc/03/58/28/218035828.db2.gz QFPSWCSJJFUBPY-INIZCTEOSA-N 2 1 298.430 3.260 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346850045 218036203 /nfs/dbraw/zinc/03/62/03/218036203.db2.gz PFUWVNBTNLOVRF-MSOLQXFVSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346854233 218038150 /nfs/dbraw/zinc/03/81/50/218038150.db2.gz TZPLKYALOWVBHL-APHBMKBZSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348249372 378864227 /nfs/dbraw/zinc/86/42/27/378864227.db2.gz WWDBXWHRBFVPER-YPMHNXCESA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348249372 378864232 /nfs/dbraw/zinc/86/42/32/378864232.db2.gz WWDBXWHRBFVPER-YPMHNXCESA-N 2 1 289.345 3.244 20 0 CGADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000638839040 378931107 /nfs/dbraw/zinc/93/11/07/378931107.db2.gz VJSBUZRZAYFXNV-WBVHZDCISA-N 2 1 262.441 3.363 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000346997977 218085219 /nfs/dbraw/zinc/08/52/19/218085219.db2.gz DXQQMLIASRVDMP-GFCCVEGCSA-N 2 1 276.355 3.003 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000346997977 218085221 /nfs/dbraw/zinc/08/52/21/218085221.db2.gz DXQQMLIASRVDMP-GFCCVEGCSA-N 2 1 276.355 3.003 20 0 CGADMP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000347003383 218086162 /nfs/dbraw/zinc/08/61/62/218086162.db2.gz LCSCFAHAXIIABM-UHFFFAOYSA-N 2 1 290.304 3.028 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000347003383 218086165 /nfs/dbraw/zinc/08/61/65/218086165.db2.gz LCSCFAHAXIIABM-UHFFFAOYSA-N 2 1 290.304 3.028 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H](C)Cc1ccsc1 ZINC000275133629 378943657 /nfs/dbraw/zinc/94/36/57/378943657.db2.gz LHKXUDSWWQBGLT-CYBMUJFWSA-N 2 1 277.437 3.206 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)Cc1ccsc1 ZINC000275133629 378943659 /nfs/dbraw/zinc/94/36/59/378943659.db2.gz LHKXUDSWWQBGLT-CYBMUJFWSA-N 2 1 277.437 3.206 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347089716 218117148 /nfs/dbraw/zinc/11/71/48/218117148.db2.gz FMVNLSIGTCRORB-NSHDSACASA-N 2 1 293.461 3.042 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347089716 218117154 /nfs/dbraw/zinc/11/71/54/218117154.db2.gz FMVNLSIGTCRORB-NSHDSACASA-N 2 1 293.461 3.042 20 0 CGADMP Cc1cc2cc(C[N@H+]3CCC[C@@H](C[NH3+])C3)oc2cc1C ZINC000347086933 218117928 /nfs/dbraw/zinc/11/79/28/218117928.db2.gz DFQOVKNNGRTOIO-AWEZNQCLSA-N 2 1 272.392 3.220 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000347098917 218121582 /nfs/dbraw/zinc/12/15/82/218121582.db2.gz IXJAZVOLRNLDQA-ZDUSSCGKSA-N 2 1 272.417 3.196 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347132735 218132796 /nfs/dbraw/zinc/13/27/96/218132796.db2.gz RNKNLJDDVAUXKO-AFLMIKJESA-N 2 1 250.430 3.028 20 0 CGADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000347173369 218145707 /nfs/dbraw/zinc/14/57/07/218145707.db2.gz OLRGNMFBMFQEOK-CQSZACIVSA-N 2 1 284.378 3.273 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000347173369 218145710 /nfs/dbraw/zinc/14/57/10/218145710.db2.gz OLRGNMFBMFQEOK-CQSZACIVSA-N 2 1 284.378 3.273 20 0 CGADMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000276902759 379017461 /nfs/dbraw/zinc/01/74/61/379017461.db2.gz JIZGFEGRHHUOGC-OAHLLOKOSA-N 2 1 264.438 3.441 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)CC1 ZINC000639105692 379030791 /nfs/dbraw/zinc/03/07/91/379030791.db2.gz UURQQKUSYMSVFA-INIZCTEOSA-N 2 1 283.419 3.151 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277078080 379063222 /nfs/dbraw/zinc/06/32/22/379063222.db2.gz FEADWSIMUACVGT-QGZVFWFLSA-N 2 1 260.425 3.165 20 0 CGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cncc(C)c1 ZINC000277105404 379069571 /nfs/dbraw/zinc/06/95/71/379069571.db2.gz GTDMTTZGFIADEA-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cncc(C)c1 ZINC000277105404 379069582 /nfs/dbraw/zinc/06/95/82/379069582.db2.gz GTDMTTZGFIADEA-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCCCC[C@H](CCCC)[NH2+]C[C@@H]([NH3+])COC ZINC001246242592 804233079 /nfs/dbraw/zinc/23/30/79/804233079.db2.gz ZOVANEZPSWFISO-CABCVRRESA-N 2 1 258.450 3.079 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000639169582 379089414 /nfs/dbraw/zinc/08/94/14/379089414.db2.gz GALSOBNURDNFEI-IRXDYDNUSA-N 2 1 286.463 3.111 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000639168454 379090416 /nfs/dbraw/zinc/09/04/16/379090416.db2.gz UTLCLTVJRPSKLW-UHFFFAOYSA-N 2 1 288.357 3.175 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000639168454 379090423 /nfs/dbraw/zinc/09/04/23/379090423.db2.gz UTLCLTVJRPSKLW-UHFFFAOYSA-N 2 1 288.357 3.175 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000349127529 379164197 /nfs/dbraw/zinc/16/41/97/379164197.db2.gz ISGSPDDQCAYSGI-OAHLLOKOSA-N 2 1 276.424 3.006 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277390271 379146994 /nfs/dbraw/zinc/14/69/94/379146994.db2.gz YWABGRUAPWNTIV-XJKSGUPXSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277390271 379146997 /nfs/dbraw/zinc/14/69/97/379146997.db2.gz YWABGRUAPWNTIV-XJKSGUPXSA-N 2 1 264.388 3.303 20 0 CGADMP CCSCC[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000372458518 379195413 /nfs/dbraw/zinc/19/54/13/379195413.db2.gz RDCSDYNGGZGEEW-DZGCQCFKSA-N 2 1 298.521 3.474 20 0 CGADMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000372458518 379195419 /nfs/dbraw/zinc/19/54/19/379195419.db2.gz RDCSDYNGGZGEEW-DZGCQCFKSA-N 2 1 298.521 3.474 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)o1 ZINC000278848052 194181776 /nfs/dbraw/zinc/18/17/76/194181776.db2.gz VKVKVAUITIFQIW-NWANDNLSSA-N 2 1 264.413 3.420 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)o1 ZINC000278848049 194182015 /nfs/dbraw/zinc/18/20/15/194182015.db2.gz VKVKVAUITIFQIW-CFVMTHIKSA-N 2 1 264.413 3.420 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000347524284 218262689 /nfs/dbraw/zinc/26/26/89/218262689.db2.gz CBYUPIAAHKBDQL-ZFWWWQNUSA-N 2 1 264.438 3.273 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1N(C)C ZINC000349405069 379266623 /nfs/dbraw/zinc/26/66/23/379266623.db2.gz HKEOJNAPUVSBNO-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1N(C)C ZINC000349405069 379266635 /nfs/dbraw/zinc/26/66/35/379266635.db2.gz HKEOJNAPUVSBNO-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC)cc1 ZINC000278925246 194215393 /nfs/dbraw/zinc/21/53/93/194215393.db2.gz IINQMKAJVJQPDT-YOEHRIQHSA-N 2 1 299.418 3.195 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000349811831 379394974 /nfs/dbraw/zinc/39/49/74/379394974.db2.gz ILCHELSYBCFKCH-KRWDZBQOSA-N 2 1 283.419 3.476 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCC(C)(C)C3CC3)C2)CC1 ZINC000639755275 379569696 /nfs/dbraw/zinc/56/96/96/379569696.db2.gz JFKOKHJSYSGZER-UHFFFAOYSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758217 379572017 /nfs/dbraw/zinc/57/20/17/379572017.db2.gz QLJRVSKQPLIBBU-CQSZACIVSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758260 379572795 /nfs/dbraw/zinc/57/27/95/379572795.db2.gz RYJHERRKGWQYHB-KRWDZBQOSA-N 2 1 286.463 3.425 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874099 379618948 /nfs/dbraw/zinc/61/89/48/379618948.db2.gz QHKKNIOJLAOETE-UHFFFAOYSA-N 2 1 293.430 3.132 20 0 CGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C2 ZINC000377413099 379677633 /nfs/dbraw/zinc/67/76/33/379677633.db2.gz QEHMDUBSOQKCTK-BBWFWOEESA-N 2 1 295.430 3.268 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000280706495 379769320 /nfs/dbraw/zinc/76/93/20/379769320.db2.gz CYHKUDGYXUUZDK-DWJZYCCASA-N 2 1 290.426 3.390 20 0 CGADMP Cn1cc[nH+]c1CC1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000347754739 218346487 /nfs/dbraw/zinc/34/64/87/218346487.db2.gz WGPALXSOMYROKA-UHFFFAOYSA-N 2 1 287.451 3.255 20 0 CGADMP COc1ccccc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352527320 379845146 /nfs/dbraw/zinc/84/51/46/379845146.db2.gz YXQWNRHIIQGUFH-UHFFFAOYSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc[nH+]1 ZINC000281972890 379849423 /nfs/dbraw/zinc/84/94/23/379849423.db2.gz RNNJGUGIEXZMHF-HNNXBMFYSA-N 2 1 296.418 3.307 20 0 CGADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392214193 379910805 /nfs/dbraw/zinc/91/08/05/379910805.db2.gz UGDRHWZHYKGDSF-CVEARBPZSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352769919 379950805 /nfs/dbraw/zinc/95/08/05/379950805.db2.gz IZAYRXWUKLHRKI-GQCTYLIASA-N 2 1 282.378 3.298 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352769919 379950810 /nfs/dbraw/zinc/95/08/10/379950810.db2.gz IZAYRXWUKLHRKI-GQCTYLIASA-N 2 1 282.378 3.298 20 0 CGADMP CC(C)[NH2+]C1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641334739 379991807 /nfs/dbraw/zinc/99/18/07/379991807.db2.gz AIHTTZBJDSSCKG-UHFFFAOYSA-N 2 1 275.440 3.346 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283200477 380045788 /nfs/dbraw/zinc/04/57/88/380045788.db2.gz LGJGEEGJOUZZOZ-JLSDUUJJSA-N 2 1 283.419 3.363 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3s2)CC[N@@H+]1C ZINC000268180671 190383762 /nfs/dbraw/zinc/38/37/62/190383762.db2.gz IQKBSYNKXLMKDI-JSGCOSHPSA-N 2 1 274.433 3.474 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3s2)CC[N@H+]1C ZINC000268180671 190383763 /nfs/dbraw/zinc/38/37/63/190383763.db2.gz IQKBSYNKXLMKDI-JSGCOSHPSA-N 2 1 274.433 3.474 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000353119581 380124110 /nfs/dbraw/zinc/12/41/10/380124110.db2.gz ODZNEXIFMHSMFJ-HNNXBMFYSA-N 2 1 271.408 3.132 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000353119581 380124116 /nfs/dbraw/zinc/12/41/16/380124116.db2.gz ODZNEXIFMHSMFJ-HNNXBMFYSA-N 2 1 271.408 3.132 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2n[nH]cc2c1 ZINC000353199552 380163768 /nfs/dbraw/zinc/16/37/68/380163768.db2.gz JQFZCBSHTMDWFU-CZUORRHYSA-N 2 1 286.423 3.088 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414176076 380199641 /nfs/dbraw/zinc/19/96/41/380199641.db2.gz IXQGKKOZJPQOGO-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCS2)cc1 ZINC000643057914 380208706 /nfs/dbraw/zinc/20/87/06/380208706.db2.gz ZTTHGZKMSUTIDD-NVXWUHKLSA-N 2 1 290.476 3.166 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000353924346 380237774 /nfs/dbraw/zinc/23/77/74/380237774.db2.gz BLWDCQMOGZTOGF-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000643499185 380321002 /nfs/dbraw/zinc/32/10/02/380321002.db2.gz FUZSTPSDUOUSBO-ZDUSSCGKSA-N 2 1 260.381 3.391 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccncc1 ZINC000643460286 380311660 /nfs/dbraw/zinc/31/16/60/380311660.db2.gz LEHWKUKAZHXSEO-LZQZEXGQSA-N 2 1 295.430 3.268 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@@H](C)C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643468368 380314708 /nfs/dbraw/zinc/31/47/08/380314708.db2.gz WUKGMKLOIXLGDM-XWIAVFTESA-N 2 1 288.435 3.124 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccccc1Cl ZINC000643467484 380315920 /nfs/dbraw/zinc/31/59/20/380315920.db2.gz KJKZAIVWHJJZMG-OWCLPIDISA-N 2 1 296.842 3.277 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414693215 380376125 /nfs/dbraw/zinc/37/61/25/380376125.db2.gz LMCGIRLXFSODDN-SCDSUCTJSA-N 2 1 281.469 3.141 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000414771747 380396525 /nfs/dbraw/zinc/39/65/25/380396525.db2.gz AJOCCYOJSJITPH-ROUUACIJSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414710110 380382860 /nfs/dbraw/zinc/38/28/60/380382860.db2.gz RVTIGKYHLNLNNH-DLBZAZTESA-N 2 1 290.451 3.084 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH2+]1 ZINC000414708784 380383404 /nfs/dbraw/zinc/38/34/04/380383404.db2.gz PJSWJEYXFCGFQM-DGCLKSJQSA-N 2 1 284.806 3.299 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)(c3ccccc3)C2)CC[NH2+]1 ZINC000414734321 380389021 /nfs/dbraw/zinc/38/90/21/380389021.db2.gz DNBVYKRHTUYLFG-RYRKJORJSA-N 2 1 272.436 3.038 20 0 CGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643529017 380346796 /nfs/dbraw/zinc/34/67/96/380346796.db2.gz SSOJQYPEIIKDKX-KBPBESRZSA-N 2 1 284.403 3.360 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccc(C(C)C)cc1 ZINC000414662907 380358064 /nfs/dbraw/zinc/35/80/64/380358064.db2.gz QSDVWTNFEZTAGD-QGZVFWFLSA-N 2 1 260.425 3.036 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1CCc1ccc(C(C)C)cc1 ZINC000414662907 380358068 /nfs/dbraw/zinc/35/80/68/380358068.db2.gz QSDVWTNFEZTAGD-QGZVFWFLSA-N 2 1 260.425 3.036 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546526 380359944 /nfs/dbraw/zinc/35/99/44/380359944.db2.gz QEFVCMKMUOZOBX-GJZGRUSLSA-N 2 1 288.435 3.329 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546889 380361467 /nfs/dbraw/zinc/36/14/67/380361467.db2.gz WHONNPQUOORJGK-CABCVRRESA-N 2 1 288.435 3.411 20 0 CGADMP C[NH2+]CC[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000414838756 380446236 /nfs/dbraw/zinc/44/62/36/380446236.db2.gz ZKCVPGJFKSIIRF-LJQANCHMSA-N 2 1 282.431 3.040 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCCC(F)(F)F ZINC000414841502 380447129 /nfs/dbraw/zinc/44/71/29/380447129.db2.gz NIEGJIGMWSBNMP-GHMZBOCLSA-N 2 1 254.340 3.071 20 0 CGADMP C[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)[C@H]1CCC[NH2+]C1 ZINC000414843330 380449579 /nfs/dbraw/zinc/44/95/79/380449579.db2.gz BTCJZESVJPQADE-JSGCOSHPSA-N 2 1 293.480 3.278 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414843471 380449961 /nfs/dbraw/zinc/44/99/61/380449961.db2.gz OGVCJAWSGSHZRR-UHFFFAOYSA-N 2 1 276.424 3.225 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414853184 380455211 /nfs/dbraw/zinc/45/52/11/380455211.db2.gz SDHOXUWHWZNGNN-KZNAEPCWSA-N 2 1 274.452 3.361 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414776277 380398194 /nfs/dbraw/zinc/39/81/94/380398194.db2.gz GWYABFDHTYGACH-IRXDYDNUSA-N 2 1 272.436 3.125 20 0 CGADMP Clc1csc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774725 380398382 /nfs/dbraw/zinc/39/83/82/380398382.db2.gz FUXSQKPBOKTXLS-VXGBXAGGSA-N 2 1 284.856 3.223 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414774733 380398618 /nfs/dbraw/zinc/39/86/18/380398618.db2.gz FVSMNAJOZMBIDJ-NYTNPOERSA-N 2 1 288.410 3.160 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414776275 380399402 /nfs/dbraw/zinc/39/94/02/380399402.db2.gz GWYABFDHTYGACH-IAGOWNOFSA-N 2 1 272.436 3.125 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414780320 380400291 /nfs/dbraw/zinc/40/02/91/380400291.db2.gz LIINAJDPQBUQAL-KBPBESRZSA-N 2 1 296.817 3.301 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000414785253 380403249 /nfs/dbraw/zinc/40/32/49/380403249.db2.gz SFLTYNUMBOISFM-OIISXLGYSA-N 2 1 290.426 3.251 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414784546 380403356 /nfs/dbraw/zinc/40/33/56/380403356.db2.gz RKZPRVMMNMYNCD-VJANTYMQSA-N 2 1 284.447 3.112 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1nccc3ccccc31)CC[NH2+]CC2 ZINC000643973775 380403900 /nfs/dbraw/zinc/40/39/00/380403900.db2.gz MIJRDIVDMXXLHW-OAHLLOKOSA-N 2 1 295.430 3.199 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2cccc(F)c2)s1)C1CC1 ZINC000414797216 380410097 /nfs/dbraw/zinc/41/00/97/380410097.db2.gz IIGIEZFKBAAPBM-OAHLLOKOSA-N 2 1 290.407 3.381 20 0 CGADMP CCCOc1cc(C[NH2+]CC([NH3+])(CC)CC)ccc1OC ZINC000414795531 380411106 /nfs/dbraw/zinc/41/11/06/380411106.db2.gz ARVKHAMGFJRXBV-UHFFFAOYSA-N 2 1 294.439 3.091 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414852844 380456508 /nfs/dbraw/zinc/45/65/08/380456508.db2.gz WOKKFCFAPKCVBU-LSDHHAIUSA-N 2 1 266.816 3.175 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414933480 380495664 /nfs/dbraw/zinc/49/56/64/380495664.db2.gz APJMQZKOOORFTF-RANZSIQMSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414939722 380498139 /nfs/dbraw/zinc/49/81/39/380498139.db2.gz ZXPOVLFCTKJRSL-RYUDHWBXSA-N 2 1 280.378 3.475 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414937444 380498257 /nfs/dbraw/zinc/49/82/57/380498257.db2.gz VRCMFRRRODIDAM-LOWVWBTDSA-N 2 1 286.872 3.310 20 0 CGADMP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414946247 380501775 /nfs/dbraw/zinc/50/17/75/380501775.db2.gz SFWJWNCIRCSPJO-IAOVAPTHSA-N 2 1 276.424 3.047 20 0 CGADMP [NH3+]C1(C[NH2+]C/C=C/c2ccccc2)CCCCCC1 ZINC000414857714 380460460 /nfs/dbraw/zinc/46/04/60/380460460.db2.gz FJVRVLFYMMFHCL-DHZHZOJOSA-N 2 1 258.409 3.341 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414867398 380465537 /nfs/dbraw/zinc/46/55/37/380465537.db2.gz ODFIKSHSKVHCKZ-KZNAEPCWSA-N 2 1 272.436 3.445 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414871751 380466867 /nfs/dbraw/zinc/46/68/67/380466867.db2.gz VLSSHGQHAWBYRH-INWMFGNUSA-N 2 1 278.827 3.318 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCC1 ZINC000414879511 380472922 /nfs/dbraw/zinc/47/29/22/380472922.db2.gz PRISSVGNWBBJFZ-UHFFFAOYSA-N 2 1 292.732 3.330 20 0 CGADMP Clc1cc(Cl)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414901722 380482674 /nfs/dbraw/zinc/48/26/74/380482674.db2.gz GRQDWNZGVLMDDZ-CYBMUJFWSA-N 2 1 273.207 3.225 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000645188073 380608677 /nfs/dbraw/zinc/60/86/77/380608677.db2.gz OUBYYLCSDAYGAU-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000645188073 380608679 /nfs/dbraw/zinc/60/86/79/380608679.db2.gz OUBYYLCSDAYGAU-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000645188073 380608683 /nfs/dbraw/zinc/60/86/83/380608683.db2.gz OUBYYLCSDAYGAU-IBGZPJMESA-N 2 1 286.463 3.209 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C2CC2)[C@@H](C)C1 ZINC000645503493 380694228 /nfs/dbraw/zinc/69/42/28/380694228.db2.gz MMKNNIKVSGKMKQ-DZGCQCFKSA-N 2 1 252.446 3.133 20 0 CGADMP C1=C(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000645837945 380747920 /nfs/dbraw/zinc/74/79/20/380747920.db2.gz UYGXKOBARIXMOY-NVXWUHKLSA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000645837945 380747923 /nfs/dbraw/zinc/74/79/23/380747923.db2.gz UYGXKOBARIXMOY-NVXWUHKLSA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000645837945 380747928 /nfs/dbraw/zinc/74/79/28/380747928.db2.gz UYGXKOBARIXMOY-NVXWUHKLSA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000645837945 380747931 /nfs/dbraw/zinc/74/79/31/380747931.db2.gz UYGXKOBARIXMOY-NVXWUHKLSA-N 2 1 260.425 3.045 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCCO2)C1 ZINC000249263336 296314114 /nfs/dbraw/zinc/31/41/14/296314114.db2.gz IEYNORSTSORSEM-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000249263336 296314115 /nfs/dbraw/zinc/31/41/15/296314115.db2.gz IEYNORSTSORSEM-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420311691 380848020 /nfs/dbraw/zinc/84/80/20/380848020.db2.gz RFFKYGGAJDPCGS-HZPDHXFCSA-N 2 1 276.811 3.013 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420311691 380848029 /nfs/dbraw/zinc/84/80/29/380848029.db2.gz RFFKYGGAJDPCGS-HZPDHXFCSA-N 2 1 276.811 3.013 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000249263336 296314116 /nfs/dbraw/zinc/31/41/16/296314116.db2.gz IEYNORSTSORSEM-SQNIBIBYSA-N 2 1 294.483 3.142 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000420322304 380849382 /nfs/dbraw/zinc/84/93/82/380849382.db2.gz SLDANGGYEDPQBP-NVXWUHKLSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319848 380849475 /nfs/dbraw/zinc/84/94/75/380849475.db2.gz APOVARYJEZVPAO-BMFZPTHFSA-N 2 1 276.399 3.208 20 0 CGADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000420376239 380851242 /nfs/dbraw/zinc/85/12/42/380851242.db2.gz QEUOMGQOSOWWMX-ZDUSSCGKSA-N 2 1 292.389 3.287 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)[NH+]1CCC(C)CC1 ZINC000356862394 380906163 /nfs/dbraw/zinc/90/61/63/380906163.db2.gz ZRAGUGRZXGWSKT-OKZBNKHCSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421375896 380916211 /nfs/dbraw/zinc/91/62/11/380916211.db2.gz DJUXKYFUKKNXPC-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000360029379 381418014 /nfs/dbraw/zinc/41/80/14/381418014.db2.gz MRRSMNWOHVTOGO-VFVRVIDISA-N 2 1 288.410 3.133 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000360677929 381615703 /nfs/dbraw/zinc/61/57/03/381615703.db2.gz BNMVQZVRFPHKRE-GDBMZVCRSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000360677929 381615708 /nfs/dbraw/zinc/61/57/08/381615708.db2.gz BNMVQZVRFPHKRE-GDBMZVCRSA-N 2 1 261.413 3.094 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000221276173 542288329 /nfs/dbraw/zinc/28/83/29/542288329.db2.gz LCVZCISYBQAVPO-HOTGVXAUSA-N 2 1 260.425 3.214 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000361907674 381875535 /nfs/dbraw/zinc/87/55/35/381875535.db2.gz YSRHRGNNZSSLPK-IRXDYDNUSA-N 2 1 283.419 3.363 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(C)(C)O)CC1 ZINC000362221582 381910752 /nfs/dbraw/zinc/91/07/52/381910752.db2.gz PAJKUYCMSXAZCZ-INIZCTEOSA-N 2 1 296.499 3.124 20 0 CGADMP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000226826568 542291516 /nfs/dbraw/zinc/29/15/16/542291516.db2.gz YNSOEJKDBKVXJF-MAUKXSAKSA-N 2 1 289.467 3.423 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000362584567 382069301 /nfs/dbraw/zinc/06/93/01/382069301.db2.gz WCFZBYASPXDBLU-UHFFFAOYSA-N 2 1 283.419 3.257 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000362584567 382069306 /nfs/dbraw/zinc/06/93/06/382069306.db2.gz WCFZBYASPXDBLU-UHFFFAOYSA-N 2 1 283.419 3.257 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362917939 382146417 /nfs/dbraw/zinc/14/64/17/382146417.db2.gz LYBGKCBWLLTKOD-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP CSC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000365619002 382290359 /nfs/dbraw/zinc/29/03/59/382290359.db2.gz QDJLOYZKYSJITQ-GOEBONIOSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000365619002 382290366 /nfs/dbraw/zinc/29/03/66/382290366.db2.gz QDJLOYZKYSJITQ-GOEBONIOSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000365619002 382290370 /nfs/dbraw/zinc/29/03/70/382290370.db2.gz QDJLOYZKYSJITQ-GOEBONIOSA-N 2 1 294.508 3.221 20 0 CGADMP CSC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000365619002 382290373 /nfs/dbraw/zinc/29/03/73/382290373.db2.gz QDJLOYZKYSJITQ-GOEBONIOSA-N 2 1 294.508 3.221 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(Cl)c1 ZINC000234305639 542308938 /nfs/dbraw/zinc/30/89/38/542308938.db2.gz SCMSBTHIDVEFML-UHFFFAOYSA-N 2 1 254.805 3.065 20 0 CGADMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(Cl)c1 ZINC000234305639 542308941 /nfs/dbraw/zinc/30/89/41/542308941.db2.gz SCMSBTHIDVEFML-UHFFFAOYSA-N 2 1 254.805 3.065 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246020800 542325019 /nfs/dbraw/zinc/32/50/19/542325019.db2.gz UXMYDHJLIKJQOB-KFWWJZLASA-N 2 1 292.471 3.127 20 0 CGADMP c1cncc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)c1 ZINC000366460794 382309275 /nfs/dbraw/zinc/30/92/75/382309275.db2.gz JKASOHKHTJRTJX-OKZBNKHCSA-N 2 1 285.435 3.139 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251549020 542346617 /nfs/dbraw/zinc/34/66/17/542346617.db2.gz BAHURDVINLJHMJ-CZUORRHYSA-N 2 1 296.842 3.168 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251610041 542346668 /nfs/dbraw/zinc/34/66/68/542346668.db2.gz CBZVJCKXIKEUJY-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412667 542349798 /nfs/dbraw/zinc/34/97/98/542349798.db2.gz ANGAGAUUECAOIL-FRFSOERESA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412667 542349803 /nfs/dbraw/zinc/34/98/03/542349803.db2.gz ANGAGAUUECAOIL-FRFSOERESA-N 2 1 276.399 3.351 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359201255 532984493 /nfs/dbraw/zinc/98/44/93/532984493.db2.gz ZHYMVEPDCAVFDR-KRWDZBQOSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423450451 532993762 /nfs/dbraw/zinc/99/37/62/532993762.db2.gz SYJLCIGFYSDFIJ-VWYCJHECSA-N 2 1 290.329 3.014 20 0 CGADMP C[NH2+][C@H](C)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000423401921 533002256 /nfs/dbraw/zinc/00/22/56/533002256.db2.gz WLRGEVPFUFGVHD-HZPDHXFCSA-N 2 1 282.431 3.405 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000353749271 220299892 /nfs/dbraw/zinc/29/98/92/220299892.db2.gz DQBNOSLKWYLYLI-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000353749271 220299898 /nfs/dbraw/zinc/29/98/98/220299898.db2.gz DQBNOSLKWYLYLI-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000353749271 220299903 /nfs/dbraw/zinc/29/99/03/220299903.db2.gz DQBNOSLKWYLYLI-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000353750640 220305911 /nfs/dbraw/zinc/30/59/11/220305911.db2.gz YHGBNFFQHWXBNY-CZUORRHYSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000353750640 220305914 /nfs/dbraw/zinc/30/59/14/220305914.db2.gz YHGBNFFQHWXBNY-CZUORRHYSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000353750640 220305918 /nfs/dbraw/zinc/30/59/18/220305918.db2.gz YHGBNFFQHWXBNY-CZUORRHYSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000353750640 220305922 /nfs/dbraw/zinc/30/59/22/220305922.db2.gz YHGBNFFQHWXBNY-CZUORRHYSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sccc2C)C[C@H]1C ZINC000353751951 220306256 /nfs/dbraw/zinc/30/62/56/220306256.db2.gz ZRBCHOVEZXUOKF-ZIAGYGMSSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sccc2C)C[C@H]1C ZINC000353751951 220306261 /nfs/dbraw/zinc/30/62/61/220306261.db2.gz ZRBCHOVEZXUOKF-ZIAGYGMSSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sccc2C)C[C@H]1C ZINC000353751951 220306264 /nfs/dbraw/zinc/30/62/64/220306264.db2.gz ZRBCHOVEZXUOKF-ZIAGYGMSSA-N 2 1 266.454 3.361 20 0 CGADMP CC(C)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000339076603 542485896 /nfs/dbraw/zinc/48/58/96/542485896.db2.gz UZAKKBRPOMXFBH-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348107738 542515712 /nfs/dbraw/zinc/51/57/12/542515712.db2.gz QPFCEHGHWSOEKM-DJIMGWMZSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](CCN(C)Cc1ccco1)[N@@H+](C)Cc1ccco1 ZINC000348276600 542517821 /nfs/dbraw/zinc/51/78/21/542517821.db2.gz PGMOZTSYJHMALZ-CQSZACIVSA-N 2 1 276.380 3.215 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000359643606 542580095 /nfs/dbraw/zinc/58/00/95/542580095.db2.gz PWTGDHMHHOAMFJ-MRXNPFEDSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000359643606 542580100 /nfs/dbraw/zinc/58/01/00/542580100.db2.gz PWTGDHMHHOAMFJ-MRXNPFEDSA-N 2 1 264.388 3.133 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cnc2ccsc2c1 ZINC000423532364 533385334 /nfs/dbraw/zinc/38/53/34/533385334.db2.gz VIFDNKNWTPGZIX-LLVKDONJSA-N 2 1 275.421 3.089 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2ccccc2n1 ZINC000423360322 533402121 /nfs/dbraw/zinc/40/21/21/533402121.db2.gz LGGKDBZQHWKSQR-UKRRQHHQSA-N 2 1 269.392 3.028 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-c2cccs2)cc1 ZINC000423377011 533498077 /nfs/dbraw/zinc/49/80/77/533498077.db2.gz VLXUSXCVRYDHJH-NWDGAFQWSA-N 2 1 260.406 3.413 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H](C)c1ccc(Cl)cc1 ZINC000423307667 533542620 /nfs/dbraw/zinc/54/26/20/533542620.db2.gz WHAGKOFDPPVQLB-ZOWXZIJZSA-N 2 1 266.816 3.174 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000156166096 533543887 /nfs/dbraw/zinc/54/38/87/533543887.db2.gz PMPWWEDNFZUPIF-JMSVASOKSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000156166096 533543890 /nfs/dbraw/zinc/54/38/90/533543890.db2.gz PMPWWEDNFZUPIF-JMSVASOKSA-N 2 1 266.816 3.473 20 0 CGADMP COc1ccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000359219525 533547819 /nfs/dbraw/zinc/54/78/19/533547819.db2.gz VKAZOXHTICZEAI-UHFFFAOYSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@H](C)O1 ZINC000366668573 533650592 /nfs/dbraw/zinc/65/05/92/533650592.db2.gz PGRCUKOTAZQZRZ-DFGXFYAUSA-N 2 1 294.483 3.329 20 0 CGADMP Cc1cncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000190020430 130052088 /nfs/dbraw/zinc/05/20/88/130052088.db2.gz KKBUCYZELQEFDT-WBVHZDCISA-N 2 1 287.451 3.133 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392269288 542611966 /nfs/dbraw/zinc/61/19/66/542611966.db2.gz JYCYLNIDMXMMRL-HOCLYGCPSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@@H]1[NH3+] ZINC000094339144 392241044 /nfs/dbraw/zinc/24/10/44/392241044.db2.gz LZTHQTLYIIAOML-UGSOOPFHSA-N 2 1 278.399 3.426 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000070091557 392176651 /nfs/dbraw/zinc/17/66/51/392176651.db2.gz GBZGKSGTLFLUSF-QWHCGFSZSA-N 2 1 264.438 3.191 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000070092009 392177179 /nfs/dbraw/zinc/17/71/79/392177179.db2.gz KWEGKRKOEYKMKT-OLZOCXBDSA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000070092009 392177182 /nfs/dbraw/zinc/17/71/82/392177182.db2.gz KWEGKRKOEYKMKT-OLZOCXBDSA-N 2 1 252.427 3.049 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000071376685 392189616 /nfs/dbraw/zinc/18/96/16/392189616.db2.gz QMZQSPFDTOUGHG-INIZCTEOSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000071376685 392189622 /nfs/dbraw/zinc/18/96/22/392189622.db2.gz QMZQSPFDTOUGHG-INIZCTEOSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000090721517 392230039 /nfs/dbraw/zinc/23/00/39/392230039.db2.gz RXHQAVYYUUTAHL-BXUZGUMPSA-N 2 1 286.341 3.278 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC000237548415 131040766 /nfs/dbraw/zinc/04/07/66/131040766.db2.gz WWFLEGSFPLJIFS-GFCCVEGCSA-N 2 1 277.799 3.271 20 0 CGADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000250802743 131127285 /nfs/dbraw/zinc/12/72/85/131127285.db2.gz GFPSKLLBLUTZHT-SQNIBIBYSA-N 2 1 270.420 3.354 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000250893105 131127558 /nfs/dbraw/zinc/12/75/58/131127558.db2.gz GLRSMKJSZPTJSG-XQQFMLRXSA-N 2 1 250.411 3.026 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000289326905 392420248 /nfs/dbraw/zinc/42/02/48/392420248.db2.gz UISQOLPEXVWEFS-WBVHZDCISA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000289326905 392420250 /nfs/dbraw/zinc/42/02/50/392420250.db2.gz UISQOLPEXVWEFS-WBVHZDCISA-N 2 1 289.467 3.033 20 0 CGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000365868570 392447871 /nfs/dbraw/zinc/44/78/71/392447871.db2.gz BPZWOGUZFJYTLL-IRXDYDNUSA-N 2 1 296.524 3.183 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000158607044 392571845 /nfs/dbraw/zinc/57/18/45/392571845.db2.gz CLBPLUDCTQBLEI-BBWFWOEESA-N 2 1 296.499 3.149 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158621321 392572052 /nfs/dbraw/zinc/57/20/52/392572052.db2.gz XNKAWFSMXIPZJR-YXJHDRRASA-N 2 1 288.435 3.172 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158621321 392572058 /nfs/dbraw/zinc/57/20/58/392572058.db2.gz XNKAWFSMXIPZJR-YXJHDRRASA-N 2 1 288.435 3.172 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158621321 392572062 /nfs/dbraw/zinc/57/20/62/392572062.db2.gz XNKAWFSMXIPZJR-YXJHDRRASA-N 2 1 288.435 3.172 20 0 CGADMP CCS[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000300631380 392583429 /nfs/dbraw/zinc/58/34/29/392583429.db2.gz AMXWYQGQWHPYHD-QLFBSQMISA-N 2 1 270.486 3.125 20 0 CGADMP C[NH+](C)CCC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000161943103 392589146 /nfs/dbraw/zinc/58/91/46/392589146.db2.gz ITOSIZGSYYLTAE-UHFFFAOYSA-N 2 1 293.480 3.184 20 0 CGADMP Cc1cccc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000302233207 392611858 /nfs/dbraw/zinc/61/18/58/392611858.db2.gz FRXKXZLWAURIIB-SJORKVTESA-N 2 1 287.451 3.481 20 0 CGADMP Cc1cccc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000302233207 392611862 /nfs/dbraw/zinc/61/18/62/392611862.db2.gz FRXKXZLWAURIIB-SJORKVTESA-N 2 1 287.451 3.481 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1(C)CC1 ZINC000157889665 392550561 /nfs/dbraw/zinc/55/05/61/392550561.db2.gz LGIMAGUDDSQFRQ-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000482501790 542706946 /nfs/dbraw/zinc/70/69/46/542706946.db2.gz CTMBXNJTDUMJLH-CRAIPNDOSA-N 2 1 274.452 3.328 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000334430224 392727792 /nfs/dbraw/zinc/72/77/92/392727792.db2.gz ZXBWSBRJOJJHJI-UKRRQHHQSA-N 2 1 280.362 3.209 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000334430224 392727803 /nfs/dbraw/zinc/72/78/03/392727803.db2.gz ZXBWSBRJOJJHJI-UKRRQHHQSA-N 2 1 280.362 3.209 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482522 392737040 /nfs/dbraw/zinc/73/70/40/392737040.db2.gz MAWBGXQRYPUDKG-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647497783 392740988 /nfs/dbraw/zinc/74/09/88/392740988.db2.gz VEDXBWCWXKRPJS-CZUORRHYSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647497783 392740990 /nfs/dbraw/zinc/74/09/90/392740990.db2.gz VEDXBWCWXKRPJS-CZUORRHYSA-N 2 1 280.843 3.462 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CC(OCC)C2)CC1 ZINC000509277256 392741811 /nfs/dbraw/zinc/74/18/11/392741811.db2.gz TXAFZPZLDYUHFH-UHFFFAOYSA-N 2 1 296.499 3.245 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@@H](C)F)CC1 ZINC000509278165 392742229 /nfs/dbraw/zinc/74/22/29/392742229.db2.gz XREHREPFPAUSBT-CQSZACIVSA-N 2 1 258.425 3.178 20 0 CGADMP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000647515886 392748009 /nfs/dbraw/zinc/74/80/09/392748009.db2.gz VKKYUMZTYWOVHF-NVXWUHKLSA-N 2 1 288.435 3.222 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000647537119 392756287 /nfs/dbraw/zinc/75/62/87/392756287.db2.gz ZDJLAXGNPYHXPQ-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000647537119 392756295 /nfs/dbraw/zinc/75/62/95/392756295.db2.gz ZDJLAXGNPYHXPQ-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000647545690 392762272 /nfs/dbraw/zinc/76/22/72/392762272.db2.gz DVEYZVGNCQIIJX-IAGOWNOFSA-N 2 1 284.447 3.386 20 0 CGADMP CC[NH2+]CC1CCN(c2[nH+]ccc3c(C)cccc32)CC1 ZINC000647705796 392786882 /nfs/dbraw/zinc/78/68/82/392786882.db2.gz NWIQONXEPDCBGT-UHFFFAOYSA-N 2 1 283.419 3.369 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC000647708337 392787206 /nfs/dbraw/zinc/78/72/06/392787206.db2.gz IRUZYNNPOCAZDT-UKRRQHHQSA-N 2 1 269.392 3.473 20 0 CGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335315040 392787867 /nfs/dbraw/zinc/78/78/67/392787867.db2.gz VKPDZZKLRJSKOB-CYBMUJFWSA-N 2 1 291.439 3.109 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CCCC1 ZINC000510660620 392808568 /nfs/dbraw/zinc/80/85/68/392808568.db2.gz DYEPQIGPSCJSSP-HUUCEWRRSA-N 2 1 270.436 3.369 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647879492 392821367 /nfs/dbraw/zinc/82/13/67/392821367.db2.gz ASKAWVGONPIVTO-KSSFIOAISA-N 2 1 270.420 3.138 20 0 CGADMP Clc1ccc(CCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957048 392843414 /nfs/dbraw/zinc/84/34/14/392843414.db2.gz JQUMZXMYCPJVSG-QGZVFWFLSA-N 2 1 292.854 3.348 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000647888118 392826884 /nfs/dbraw/zinc/82/68/84/392826884.db2.gz NJJKHEAWADOOBQ-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000381453118 392908652 /nfs/dbraw/zinc/90/86/52/392908652.db2.gz HJNBWHZLQNFJFR-QWHCGFSZSA-N 2 1 252.427 3.049 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC2CCC1CC2 ZINC000381574339 392910860 /nfs/dbraw/zinc/91/08/60/392910860.db2.gz ZOUSIPJICZUJDO-OQBQERNKSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1csc(Cl)c1 ZINC000336452625 392857906 /nfs/dbraw/zinc/85/79/06/392857906.db2.gz JEYPNUQDCSARFH-WCBMZHEXSA-N 2 1 281.812 3.333 20 0 CGADMP C[C@H]1COc2ccccc2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647991325 392858761 /nfs/dbraw/zinc/85/87/61/392858761.db2.gz ZQLYHEPGWDXYCC-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C[C@H]2C1 ZINC000339076651 392945301 /nfs/dbraw/zinc/94/53/01/392945301.db2.gz WIAIYIBQZCIVBL-UUAJXVIYSA-N 2 1 262.441 3.172 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000525870122 392951671 /nfs/dbraw/zinc/95/16/71/392951671.db2.gz PEKDYLPDOHBRBE-CQSZACIVSA-N 2 1 266.404 3.249 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000525870122 392951673 /nfs/dbraw/zinc/95/16/73/392951673.db2.gz PEKDYLPDOHBRBE-CQSZACIVSA-N 2 1 266.404 3.249 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000459496447 392945911 /nfs/dbraw/zinc/94/59/11/392945911.db2.gz XNGFPFKOSUMNNJ-DNVCBOLYSA-N 2 1 284.447 3.264 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000459496447 392945921 /nfs/dbraw/zinc/94/59/21/392945921.db2.gz XNGFPFKOSUMNNJ-DNVCBOLYSA-N 2 1 284.447 3.264 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000459496447 392945927 /nfs/dbraw/zinc/94/59/27/392945927.db2.gz XNGFPFKOSUMNNJ-DNVCBOLYSA-N 2 1 284.447 3.264 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C[C@H]1c1ccccc1 ZINC000340266315 392968313 /nfs/dbraw/zinc/96/83/13/392968313.db2.gz XEMLEACVUHYIIT-ULQDDVLXSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C[C@H]1c1ccccc1 ZINC000340266315 392968322 /nfs/dbraw/zinc/96/83/22/392968322.db2.gz XEMLEACVUHYIIT-ULQDDVLXSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C[C@H]1c1ccccc1 ZINC000340304409 392970562 /nfs/dbraw/zinc/97/05/62/392970562.db2.gz VCXVLUXSEZNOQW-CVEARBPZSA-N 2 1 258.409 3.212 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C[C@H]1c1ccccc1 ZINC000340304409 392970566 /nfs/dbraw/zinc/97/05/66/392970566.db2.gz VCXVLUXSEZNOQW-CVEARBPZSA-N 2 1 258.409 3.212 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000222237081 393009653 /nfs/dbraw/zinc/00/96/53/393009653.db2.gz FIYLFDAKMJFDIL-JYJNAYRXSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000222237081 393009659 /nfs/dbraw/zinc/00/96/59/393009659.db2.gz FIYLFDAKMJFDIL-JYJNAYRXSA-N 2 1 260.425 3.437 20 0 CGADMP CCCC[C@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000545949848 393019431 /nfs/dbraw/zinc/01/94/31/393019431.db2.gz WVSCQRZMXKLXDG-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)CC[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346998992 393098280 /nfs/dbraw/zinc/09/82/80/393098280.db2.gz YDCHBQKBANWORN-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000245992355 393050111 /nfs/dbraw/zinc/05/01/11/393050111.db2.gz QXGZSCJKRJWOHK-LLLHUVSDSA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000245992355 393050117 /nfs/dbraw/zinc/05/01/17/393050117.db2.gz QXGZSCJKRJWOHK-LLLHUVSDSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677499 393050152 /nfs/dbraw/zinc/05/01/52/393050152.db2.gz OXQPORLCZRKAJE-GDBMZVCRSA-N 2 1 278.415 3.424 20 0 CGADMP CC1CCC([N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C2CC2)CC1 ZINC000414713117 393052220 /nfs/dbraw/zinc/05/22/20/393052220.db2.gz VRIIITOXWCACLZ-FYRZTWFESA-N 2 1 264.457 3.418 20 0 CGADMP CCC(CC)C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000414874040 393056550 /nfs/dbraw/zinc/05/65/50/393056550.db2.gz APXUOMYDVUMRQE-ZWKOTPCHSA-N 2 1 290.451 3.167 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000414949671 393058194 /nfs/dbraw/zinc/05/81/94/393058194.db2.gz GJJLTIYSOVHWRH-HYVNUMGLSA-N 2 1 260.425 3.156 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[NH2+]1 ZINC000414961829 393067625 /nfs/dbraw/zinc/06/76/25/393067625.db2.gz ZFBVLCTZLVDJGJ-OLZOCXBDSA-N 2 1 288.366 3.316 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415049514 393112847 /nfs/dbraw/zinc/11/28/47/393112847.db2.gz AUPIJPKFAYSYMT-JZXOWHBKSA-N 2 1 274.452 3.460 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000415052359 393114499 /nfs/dbraw/zinc/11/44/99/393114499.db2.gz KTHKHPGJVFSDFN-LBPRGKRZSA-N 2 1 274.330 3.168 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648585350 393114689 /nfs/dbraw/zinc/11/46/89/393114689.db2.gz BBBWITRTGKWUSV-APWZRJJASA-N 2 1 286.463 3.254 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415058263 393120416 /nfs/dbraw/zinc/12/04/16/393120416.db2.gz VHRLQAOOVKFJDI-NVXWUHKLSA-N 2 1 284.403 3.397 20 0 CGADMP Clc1ccsc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415059553 393122349 /nfs/dbraw/zinc/12/23/49/393122349.db2.gz XDNFGNSNHPFADG-YPMHNXCESA-N 2 1 284.856 3.366 20 0 CGADMP Clc1ccsc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415059553 393122353 /nfs/dbraw/zinc/12/23/53/393122353.db2.gz XDNFGNSNHPFADG-YPMHNXCESA-N 2 1 284.856 3.366 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1cccc(Cl)c1 ZINC000415062922 393122476 /nfs/dbraw/zinc/12/24/76/393122476.db2.gz ZSDFCPRJLKTMIG-XJKCOSOUSA-N 2 1 280.843 3.360 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415087331 393138096 /nfs/dbraw/zinc/13/80/96/393138096.db2.gz SSSRDXUCJMPURZ-MLGOLLRUSA-N 2 1 282.378 3.395 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc2ccccc2c1 ZINC000258888627 393138198 /nfs/dbraw/zinc/13/81/98/393138198.db2.gz CJBGDPVBVUETNR-OAHLLOKOSA-N 2 1 268.404 3.271 20 0 CGADMP C[N@H+](CC[NH3+])CCCCc1ccc(Cl)c(Cl)c1 ZINC000415114115 393149360 /nfs/dbraw/zinc/14/93/60/393149360.db2.gz VHINGXRXUWEXTF-UHFFFAOYSA-N 2 1 275.223 3.207 20 0 CGADMP C[N@@H+](CC[NH3+])CCCCc1ccc(Cl)c(Cl)c1 ZINC000415114115 393149363 /nfs/dbraw/zinc/14/93/63/393149363.db2.gz VHINGXRXUWEXTF-UHFFFAOYSA-N 2 1 275.223 3.207 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000415124439 393150959 /nfs/dbraw/zinc/15/09/59/393150959.db2.gz KFCPDGOWVAIWSX-OCCSQVGLSA-N 2 1 274.433 3.318 20 0 CGADMP C[NH2+]CCC[N@@H+](C)C[C@@H](C)c1cccc(Br)c1 ZINC000415136821 393155340 /nfs/dbraw/zinc/15/53/40/393155340.db2.gz SKDVFXFKKKCNSO-GFCCVEGCSA-N 2 1 299.256 3.094 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000353487134 393223347 /nfs/dbraw/zinc/22/33/47/393223347.db2.gz MBLBUHMEPWZELF-GJZGRUSLSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000353487134 393223352 /nfs/dbraw/zinc/22/33/52/393223352.db2.gz MBLBUHMEPWZELF-GJZGRUSLSA-N 2 1 270.461 3.044 20 0 CGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267973341 393195201 /nfs/dbraw/zinc/19/52/01/393195201.db2.gz CNHOXACGVDSZHA-LZLYRXPVSA-N 2 1 290.451 3.054 20 0 CGADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267973341 393195206 /nfs/dbraw/zinc/19/52/06/393195206.db2.gz CNHOXACGVDSZHA-LZLYRXPVSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470968849 393270483 /nfs/dbraw/zinc/27/04/83/393270483.db2.gz SCLVZTQEXCSGIP-RDJZCZTQSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470968849 393270488 /nfs/dbraw/zinc/27/04/88/393270488.db2.gz SCLVZTQEXCSGIP-RDJZCZTQSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470968849 393270491 /nfs/dbraw/zinc/27/04/91/393270491.db2.gz SCLVZTQEXCSGIP-RDJZCZTQSA-N 2 1 272.436 3.411 20 0 CGADMP C(=C\C[N@H+]1CCCC2(CC2)C1)\C[NH+]1CCCC2(CC2)C1 ZINC000588492168 542769721 /nfs/dbraw/zinc/76/97/21/542769721.db2.gz LLHOQNDDLPBNKN-UPHRSURJSA-N 2 1 274.452 3.295 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000475362170 393395728 /nfs/dbraw/zinc/39/57/28/393395728.db2.gz UBWHKNZHLHKZAV-PMPSAXMXSA-N 2 1 262.441 3.499 20 0 CGADMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000647230280 393400589 /nfs/dbraw/zinc/40/05/89/393400589.db2.gz SSXCQMKPBNBIBT-ZJPYXAASSA-N 2 1 270.420 3.007 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356177972 393369374 /nfs/dbraw/zinc/36/93/74/393369374.db2.gz SAVGRLVKHNBNHJ-UHFFFAOYSA-N 2 1 295.789 3.206 20 0 CGADMP Fc1cc2cccnc2c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000649408956 393413789 /nfs/dbraw/zinc/41/37/89/393413789.db2.gz NBJFOLINJODXHI-UHFFFAOYSA-N 2 1 299.393 3.090 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000480609567 393435653 /nfs/dbraw/zinc/43/56/53/393435653.db2.gz LQFVHNARJFCPJW-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000481990452 393438780 /nfs/dbraw/zinc/43/87/80/393438780.db2.gz JJQMANPVCJVWDY-YIDVYQOGSA-N 2 1 252.446 3.131 20 0 CGADMP CCc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000484277170 393445181 /nfs/dbraw/zinc/44/51/81/393445181.db2.gz BXGVAPSQCARYHL-QAPCUYQASA-N 2 1 288.479 3.456 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC[N@H+]1C ZINC000484478742 393445374 /nfs/dbraw/zinc/44/53/74/393445374.db2.gz FFLUJFITNCATLX-SYQHCUMBSA-N 2 1 292.389 3.427 20 0 CGADMP C[N@@H+](CC(C)(C)C[NH3+])[C@H]1CCCc2ccc(F)cc21 ZINC000420288075 393450398 /nfs/dbraw/zinc/45/03/98/393450398.db2.gz IQBQQQYNIJNVFV-HNNXBMFYSA-N 2 1 264.388 3.120 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000420293754 393451886 /nfs/dbraw/zinc/45/18/86/393451886.db2.gz AHSYBMIYHCSGRR-SOLBZPMBSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000427690201 393458244 /nfs/dbraw/zinc/45/82/44/393458244.db2.gz MBYRSOAOSATYBZ-SZMVWBNQSA-N 2 1 274.452 3.326 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000427690201 393458252 /nfs/dbraw/zinc/45/82/52/393458252.db2.gz MBYRSOAOSATYBZ-SZMVWBNQSA-N 2 1 274.452 3.326 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420394427 393482841 /nfs/dbraw/zinc/48/28/41/393482841.db2.gz KMGHUWAMGSUMQT-ZWKOTPCHSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420314096 393461133 /nfs/dbraw/zinc/46/11/33/393461133.db2.gz YSNOLVHJDHNQKM-JFIYKMOQSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000420319451 393463161 /nfs/dbraw/zinc/46/31/61/393463161.db2.gz POGXARFGXQRUSZ-CABCVRRESA-N 2 1 276.424 3.165 20 0 CGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cocn2)C[N@H+]1Cc1ccccc1 ZINC000428869067 393465393 /nfs/dbraw/zinc/46/53/93/393465393.db2.gz CCHGOUDDNIBMGU-WBVHZDCISA-N 2 1 299.418 3.065 20 0 CGADMP Cc1csc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420322064 393466069 /nfs/dbraw/zinc/46/60/69/393466069.db2.gz RZCMTUUPPZOKLP-GJZGRUSLSA-N 2 1 293.480 3.021 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccccc2C)cc1 ZINC000420328319 393467614 /nfs/dbraw/zinc/46/76/14/393467614.db2.gz ZDTHUEBTZLKODK-GOSISDBHSA-N 2 1 298.430 3.178 20 0 CGADMP Cc1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C(C)C)s1 ZINC000420324484 393468818 /nfs/dbraw/zinc/46/88/18/393468818.db2.gz VLSUQXGCBUVLTI-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C2CCCCCC2)cc1 ZINC000420323929 393468939 /nfs/dbraw/zinc/46/89/39/393468939.db2.gz UPTRXTYQTGCENX-MRXNPFEDSA-N 2 1 290.451 3.392 20 0 CGADMP c1ccc(SCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420332520 393470431 /nfs/dbraw/zinc/47/04/31/393470431.db2.gz RTZNARIDCZMHGT-CVEARBPZSA-N 2 1 290.476 3.100 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334234 393470602 /nfs/dbraw/zinc/47/06/02/393470602.db2.gz UASLQVUTELOOCP-HZPDHXFCSA-N 2 1 294.389 3.446 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420364400 393474517 /nfs/dbraw/zinc/47/45/17/393474517.db2.gz QSBYQSQCCXDDFO-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000429534121 393475363 /nfs/dbraw/zinc/47/53/63/393475363.db2.gz COZAXWGKFPFMLT-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP c1cc(CCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420404362 393484163 /nfs/dbraw/zinc/48/41/63/393484163.db2.gz RYIYLGVYYWXFPK-HOTGVXAUSA-N 2 1 278.465 3.145 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OC1CCCCCC1 ZINC000420409982 393484376 /nfs/dbraw/zinc/48/43/76/393484376.db2.gz XUGYFRKEGOMESO-SJLPKXTDSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420408061 393484989 /nfs/dbraw/zinc/48/49/89/393484989.db2.gz OWEXPOMGAUQWQJ-YCPHGPKFSA-N 2 1 299.418 3.319 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420408061 393484993 /nfs/dbraw/zinc/48/49/93/393484993.db2.gz OWEXPOMGAUQWQJ-YCPHGPKFSA-N 2 1 299.418 3.319 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488345883 393493031 /nfs/dbraw/zinc/49/30/31/393493031.db2.gz FKWFCVODHFJYLB-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488345883 393493034 /nfs/dbraw/zinc/49/30/34/393493034.db2.gz FKWFCVODHFJYLB-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000356980356 393506238 /nfs/dbraw/zinc/50/62/38/393506238.db2.gz SQWVECWDNDYYIQ-RCCFBDPRSA-N 2 1 294.483 3.142 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(C(C)C)C2)[C@@H](C)C1 ZINC000488448972 393518574 /nfs/dbraw/zinc/51/85/74/393518574.db2.gz MMLVHIDJOXFPKS-BFWZDYSYSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000430138491 393528390 /nfs/dbraw/zinc/52/83/90/393528390.db2.gz NHKMQHHYSWHHBL-LJQANCHMSA-N 2 1 296.414 3.474 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000430138491 393528393 /nfs/dbraw/zinc/52/83/93/393528393.db2.gz NHKMQHHYSWHHBL-LJQANCHMSA-N 2 1 296.414 3.474 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000430138491 393528396 /nfs/dbraw/zinc/52/83/96/393528396.db2.gz NHKMQHHYSWHHBL-LJQANCHMSA-N 2 1 296.414 3.474 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC000430138491 393528401 /nfs/dbraw/zinc/52/84/01/393528401.db2.gz NHKMQHHYSWHHBL-LJQANCHMSA-N 2 1 296.414 3.474 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430161274 393532136 /nfs/dbraw/zinc/53/21/36/393532136.db2.gz HSHQOOXNQAVTFB-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430161274 393532139 /nfs/dbraw/zinc/53/21/39/393532139.db2.gz HSHQOOXNQAVTFB-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430161274 393532145 /nfs/dbraw/zinc/53/21/45/393532145.db2.gz HSHQOOXNQAVTFB-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430161274 393532150 /nfs/dbraw/zinc/53/21/50/393532150.db2.gz HSHQOOXNQAVTFB-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420944196 393552671 /nfs/dbraw/zinc/55/26/71/393552671.db2.gz IXHVYMQARUUTIF-ZDUSSCGKSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420944196 393552675 /nfs/dbraw/zinc/55/26/75/393552675.db2.gz IXHVYMQARUUTIF-ZDUSSCGKSA-N 2 1 289.345 3.246 20 0 CGADMP C(C[N@H+]1CC[C@@H](C2CCCC2)C1)C[NH+]1CCCCC1 ZINC000420963089 393559206 /nfs/dbraw/zinc/55/92/06/393559206.db2.gz MJYRPKNESKAANG-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568608 393576125 /nfs/dbraw/zinc/57/61/25/393576125.db2.gz HRGZGBHHYYEOFK-HNAYVOBHSA-N 2 1 282.431 3.442 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000666770865 542814761 /nfs/dbraw/zinc/81/47/61/542814761.db2.gz WHQCZAYGQQQOQR-WFASDCNBSA-N 2 1 266.816 3.175 20 0 CGADMP Clc1ccc2cccnc2c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856543 542820749 /nfs/dbraw/zinc/82/07/49/542820749.db2.gz ONAJOXFQQDMMGJ-CYBMUJFWSA-N 2 1 289.810 3.120 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360838307 393595453 /nfs/dbraw/zinc/59/54/53/393595453.db2.gz TYZXJGCKQYTBTO-YJBOKZPZSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[NH2+]1 ZINC000666873219 542823176 /nfs/dbraw/zinc/82/31/76/542823176.db2.gz HRFREWWNUVYRMV-WCQYABFASA-N 2 1 289.810 3.118 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419437 393612059 /nfs/dbraw/zinc/61/20/59/393612059.db2.gz BUFKMSGZXMCGHS-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419437 393612060 /nfs/dbraw/zinc/61/20/60/393612060.db2.gz BUFKMSGZXMCGHS-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422827967 393643689 /nfs/dbraw/zinc/64/36/89/393643689.db2.gz AHFYZOZGYMNODQ-JQFCIGGWSA-N 2 1 290.476 3.137 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)CCC2 ZINC000423257857 393656015 /nfs/dbraw/zinc/65/60/15/393656015.db2.gz AIQOSNRWGRFXMC-VXGBXAGGSA-N 2 1 281.469 3.046 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423287099 393658872 /nfs/dbraw/zinc/65/88/72/393658872.db2.gz KHAVYHAIWFYTHL-ZDUSSCGKSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497865 393671397 /nfs/dbraw/zinc/67/13/97/393671397.db2.gz HMTIHFGBRJPUMI-JLZZUVOBSA-N 2 1 258.409 3.342 20 0 CGADMP COC1CC[NH+](C2(C[NH2+]C3CC(C)(C)C3)CCCC2)CC1 ZINC000433113514 393688341 /nfs/dbraw/zinc/68/83/41/393688341.db2.gz CRJLXPBTJFROML-UHFFFAOYSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC(C)(C)C2)C1 ZINC000433172525 393693178 /nfs/dbraw/zinc/69/31/78/393693178.db2.gz CTBVLIZCOSWNRA-ZDUSSCGKSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC(C)(C)C2)C1 ZINC000433172525 393693183 /nfs/dbraw/zinc/69/31/83/393693183.db2.gz CTBVLIZCOSWNRA-ZDUSSCGKSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H]2CCC[C@@H]21 ZINC000361187030 393698288 /nfs/dbraw/zinc/69/82/88/393698288.db2.gz NSQARIBDZRRAPJ-IKGGRYGDSA-N 2 1 285.435 3.245 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H]2CCC[C@@H]21 ZINC000361187030 393698292 /nfs/dbraw/zinc/69/82/92/393698292.db2.gz NSQARIBDZRRAPJ-IKGGRYGDSA-N 2 1 285.435 3.245 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H](C)C1 ZINC000443640460 393768687 /nfs/dbraw/zinc/76/86/87/393768687.db2.gz NFFQUIBEWRROMP-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H](C)C1 ZINC000443640460 393768690 /nfs/dbraw/zinc/76/86/90/393768690.db2.gz NFFQUIBEWRROMP-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H](C)C1 ZINC000443640460 393768692 /nfs/dbraw/zinc/76/86/92/393768692.db2.gz NFFQUIBEWRROMP-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495013298 393776945 /nfs/dbraw/zinc/77/69/45/393776945.db2.gz AOYXWLSRCJMMLH-RDBSUJKOSA-N 2 1 274.399 3.132 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000445986702 393839063 /nfs/dbraw/zinc/83/90/63/393839063.db2.gz XBYWZHSMHLOIAJ-SQNIBIBYSA-N 2 1 272.436 3.397 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H]1CCOC)[NH+](C)C ZINC000502697726 393883343 /nfs/dbraw/zinc/88/33/43/393883343.db2.gz JFKIHTFEYOHYSE-ULQDDVLXSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502914828 393887827 /nfs/dbraw/zinc/88/78/27/393887827.db2.gz RDHRXSXQZQIHIB-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560378 393903753 /nfs/dbraw/zinc/90/37/53/393903753.db2.gz KDCNWGNWBHIEJX-ZCRFILTFSA-N 2 1 262.441 3.194 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000666998197 542834490 /nfs/dbraw/zinc/83/44/90/542834490.db2.gz HQWPBTCKYSYFIF-CYBMUJFWSA-N 2 1 294.826 3.113 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000666998198 542834626 /nfs/dbraw/zinc/83/46/26/542834626.db2.gz HQWPBTCKYSYFIF-ZDUSSCGKSA-N 2 1 294.826 3.113 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666998141 542835120 /nfs/dbraw/zinc/83/51/20/542835120.db2.gz FASYGNRIDGFIIL-JTQLQIEISA-N 2 1 270.829 3.166 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000453085677 394165894 /nfs/dbraw/zinc/16/58/94/394165894.db2.gz MSZKXSHXEWJXNF-MRXNPFEDSA-N 2 1 289.467 3.257 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000453398636 394232925 /nfs/dbraw/zinc/23/29/25/394232925.db2.gz KSAJBOUCPDMUIF-MRXNPFEDSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1C1CC1)C1CC1 ZINC000453400365 394233663 /nfs/dbraw/zinc/23/36/63/394233663.db2.gz LUTGFILFNIXAKI-HZPDHXFCSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453402139 394234681 /nfs/dbraw/zinc/23/46/81/394234681.db2.gz NCCWERUAHWNIAN-KRWDZBQOSA-N 2 1 293.430 3.382 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000453441967 394245953 /nfs/dbraw/zinc/24/59/53/394245953.db2.gz XRAKZFGGTBBRLZ-ZDUSSCGKSA-N 2 1 264.388 3.351 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccs1 ZINC000453442186 394246287 /nfs/dbraw/zinc/24/62/87/394246287.db2.gz YCDGVDBYYKTUIK-GFCCVEGCSA-N 2 1 252.427 3.273 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453599498 394254129 /nfs/dbraw/zinc/25/41/29/394254129.db2.gz RMIOEWHXTRAFFT-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453601695 394254275 /nfs/dbraw/zinc/25/42/75/394254275.db2.gz VGIPBOLGQCFTRS-OAHLLOKOSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667503576 542880868 /nfs/dbraw/zinc/88/08/68/542880868.db2.gz PUTKVNWBUJUYHX-QGZVFWFLSA-N 2 1 281.403 3.475 20 0 CGADMP Cc1ccc(CN(C)Cc2ccnn2-c2ccncc2)s1 ZINC000667593742 542894566 /nfs/dbraw/zinc/89/45/66/542894566.db2.gz LUXKNJXWTFCAKP-UHFFFAOYSA-N 2 1 298.415 3.269 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)[nH]c2c1 ZINC000667667639 542912852 /nfs/dbraw/zinc/91/28/52/542912852.db2.gz SCZJGQLSYSVXSJ-PBHICJAKSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)[nH]c2c1 ZINC000667667639 542912853 /nfs/dbraw/zinc/91/28/53/542912853.db2.gz SCZJGQLSYSVXSJ-PBHICJAKSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)[nH]c2c1 ZINC000667667639 542912856 /nfs/dbraw/zinc/91/28/56/542912856.db2.gz SCZJGQLSYSVXSJ-PBHICJAKSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)[nH]c2c1 ZINC000667667639 542912858 /nfs/dbraw/zinc/91/28/58/542912858.db2.gz SCZJGQLSYSVXSJ-PBHICJAKSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc21 ZINC000667705316 542919864 /nfs/dbraw/zinc/91/98/64/542919864.db2.gz AZSVEQKPAOZOIL-HNAYVOBHSA-N 2 1 297.446 3.392 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000667835435 542935254 /nfs/dbraw/zinc/93/52/54/542935254.db2.gz QCHOKQUGFFAVQR-YSTOQKLRSA-N 2 1 298.474 3.329 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000668814750 543065524 /nfs/dbraw/zinc/06/55/24/543065524.db2.gz SWGOOWUTHYOISB-HNNXBMFYSA-N 2 1 284.407 3.054 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000671770670 543188536 /nfs/dbraw/zinc/18/85/36/543188536.db2.gz WOTVKBAVMOSDSL-IRXDYDNUSA-N 2 1 292.854 3.271 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000671770670 543188539 /nfs/dbraw/zinc/18/85/39/543188539.db2.gz WOTVKBAVMOSDSL-IRXDYDNUSA-N 2 1 292.854 3.271 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334361854 397682338 /nfs/dbraw/zinc/68/23/38/397682338.db2.gz CFHZETRZBUMNSC-WFASDCNBSA-N 2 1 274.433 3.331 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334361854 397682341 /nfs/dbraw/zinc/68/23/41/397682341.db2.gz CFHZETRZBUMNSC-WFASDCNBSA-N 2 1 274.433 3.331 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000386849797 397689713 /nfs/dbraw/zinc/68/97/13/397689713.db2.gz XQBNACZACQWJQP-SJLPKXTDSA-N 2 1 295.430 3.199 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCC1 ZINC000429515088 292125886 /nfs/dbraw/zinc/12/58/86/292125886.db2.gz ARGIZJGZCBXCPQ-YESZJQIVSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)[C@@H]1CC[NH3+] ZINC000650711247 397899135 /nfs/dbraw/zinc/89/91/35/397899135.db2.gz MVKYHBMYHIFKMA-RDTXWAMCSA-N 2 1 298.434 3.026 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC2CCCCCC2)C1 ZINC000650723529 397902769 /nfs/dbraw/zinc/90/27/69/397902769.db2.gz PSSQPZNVLLBEMU-KURKYZTESA-N 2 1 294.483 3.318 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2ccccc2[nH]1 ZINC000675500430 543345176 /nfs/dbraw/zinc/34/51/76/543345176.db2.gz TYAZDMSTMPMVOL-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2ccccc2[nH]1 ZINC000675500430 543345179 /nfs/dbraw/zinc/34/51/79/543345179.db2.gz TYAZDMSTMPMVOL-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2ccccc2[nH]1 ZINC000675500430 543345181 /nfs/dbraw/zinc/34/51/81/543345181.db2.gz TYAZDMSTMPMVOL-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2ccccc2[nH]1 ZINC000675500430 543345184 /nfs/dbraw/zinc/34/51/84/543345184.db2.gz TYAZDMSTMPMVOL-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC000421824430 292146713 /nfs/dbraw/zinc/14/67/13/292146713.db2.gz IPIAPZXMNPKAAW-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000675655011 543352596 /nfs/dbraw/zinc/35/25/96/543352596.db2.gz YYWFGHPOLZMDEE-SJLPKXTDSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880069 543369187 /nfs/dbraw/zinc/36/91/87/543369187.db2.gz BAMMYSMRUNDJEV-WBVHZDCISA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880067 543369276 /nfs/dbraw/zinc/36/92/76/543369276.db2.gz BAMMYSMRUNDJEV-NVXWUHKLSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677235848 543440769 /nfs/dbraw/zinc/44/07/69/543440769.db2.gz JFHDXFFQUROAJO-MOPGFXCFSA-N 2 1 286.463 3.452 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678119863 543485124 /nfs/dbraw/zinc/48/51/24/543485124.db2.gz BAKOBSMUHHHCNB-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)nc2C)C1 ZINC000678414940 543522546 /nfs/dbraw/zinc/52/25/46/543522546.db2.gz WMICIZPODNGKIE-ZBFHGGJFSA-N 2 1 275.440 3.081 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000678604345 543542599 /nfs/dbraw/zinc/54/25/99/543542599.db2.gz IKUDQHQKMFKBJC-MSOLQXFVSA-N 2 1 286.463 3.371 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000366690442 292214460 /nfs/dbraw/zinc/21/44/60/292214460.db2.gz AMJIZGFDXSHNMD-OALUTQOASA-N 2 1 284.447 3.483 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000423258987 286355688 /nfs/dbraw/zinc/35/56/88/286355688.db2.gz CUJXUYMVIIQCMQ-KGLIPLIRSA-N 2 1 264.413 3.028 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000556235731 289379532 /nfs/dbraw/zinc/37/95/32/289379532.db2.gz GIQIDDHYICIUOE-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000556235731 289379534 /nfs/dbraw/zinc/37/95/34/289379534.db2.gz GIQIDDHYICIUOE-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP COCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183186272 292383570 /nfs/dbraw/zinc/38/35/70/292383570.db2.gz NDTIQGMJQXZLLA-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000075835723 287028944 /nfs/dbraw/zinc/02/89/44/287028944.db2.gz GOVZPSJCHHJNTE-OAHLLOKOSA-N 2 1 293.480 3.068 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000075835723 287028945 /nfs/dbraw/zinc/02/89/45/287028945.db2.gz GOVZPSJCHHJNTE-OAHLLOKOSA-N 2 1 293.480 3.068 20 0 CGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000474636511 287026939 /nfs/dbraw/zinc/02/69/39/287026939.db2.gz UXUYYGKBLRKFNG-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000474636511 287026941 /nfs/dbraw/zinc/02/69/41/287026941.db2.gz UXUYYGKBLRKFNG-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085125976 165179232 /nfs/dbraw/zinc/17/92/32/165179232.db2.gz YKUFVUNTWIKYKH-PNESKVBLSA-N 2 1 278.362 3.039 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000090585318 165241408 /nfs/dbraw/zinc/24/14/08/165241408.db2.gz QARLOJFCQCSYDR-LSDHHAIUSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000090585318 165241410 /nfs/dbraw/zinc/24/14/10/165241410.db2.gz QARLOJFCQCSYDR-LSDHHAIUSA-N 2 1 293.430 3.239 20 0 CGADMP C[N@@H+](Cc1cc2cc(F)ccc2o1)C[C@H]1CCC[NH+](C)C1 ZINC000092253401 165285410 /nfs/dbraw/zinc/28/54/10/165285410.db2.gz CPZIXWOPAOYHKC-ZDUSSCGKSA-N 2 1 290.382 3.346 20 0 CGADMP C[N@H+](Cc1cc2cc(F)ccc2o1)C[C@H]1CCC[NH+](C)C1 ZINC000092253401 165285413 /nfs/dbraw/zinc/28/54/13/165285413.db2.gz CPZIXWOPAOYHKC-ZDUSSCGKSA-N 2 1 290.382 3.346 20 0 CGADMP C[NH+](Cc1cc2cc(F)ccc2o1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253401 165285419 /nfs/dbraw/zinc/28/54/19/165285419.db2.gz CPZIXWOPAOYHKC-ZDUSSCGKSA-N 2 1 290.382 3.346 20 0 CGADMP C[NH+](Cc1cc2cc(F)ccc2o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253401 165285421 /nfs/dbraw/zinc/28/54/21/165285421.db2.gz CPZIXWOPAOYHKC-ZDUSSCGKSA-N 2 1 290.382 3.346 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000092563699 165301926 /nfs/dbraw/zinc/30/19/26/165301926.db2.gz SUPPOKJAQMTIAX-ARFHVFGLSA-N 2 1 252.446 3.134 20 0 CGADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000093464316 165330066 /nfs/dbraw/zinc/33/00/66/165330066.db2.gz AZYGUUMKIYQXKT-MBNYWOFBSA-N 2 1 280.387 3.016 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131758126 287134257 /nfs/dbraw/zinc/13/42/57/287134257.db2.gz WZJZDECFVZJJEU-GRYCIOLGSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178635682 287144041 /nfs/dbraw/zinc/14/40/41/287144041.db2.gz OVDKXOBGTUBTIE-YSVLISHTSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178635682 287144043 /nfs/dbraw/zinc/14/40/43/287144043.db2.gz OVDKXOBGTUBTIE-YSVLISHTSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178635682 287144044 /nfs/dbraw/zinc/14/40/44/287144044.db2.gz OVDKXOBGTUBTIE-YSVLISHTSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC000120913219 287189755 /nfs/dbraw/zinc/18/97/55/287189755.db2.gz NHVBSUPUTNOZIL-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ncc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1Cl ZINC000284259175 196015013 /nfs/dbraw/zinc/01/50/13/196015013.db2.gz IVWWNJYTBCHJPD-GFCCVEGCSA-N 2 1 299.846 3.125 20 0 CGADMP COc1ncc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1Cl ZINC000284259175 196015014 /nfs/dbraw/zinc/01/50/14/196015014.db2.gz IVWWNJYTBCHJPD-GFCCVEGCSA-N 2 1 299.846 3.125 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000126572090 287268019 /nfs/dbraw/zinc/26/80/19/287268019.db2.gz AAPMOPMTBHMLPC-ZDUSSCGKSA-N 2 1 280.481 3.477 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285408557 196276813 /nfs/dbraw/zinc/27/68/13/196276813.db2.gz FSDDFIQGBYWPQV-JWTNVVGKSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285408557 196276815 /nfs/dbraw/zinc/27/68/15/196276815.db2.gz FSDDFIQGBYWPQV-JWTNVVGKSA-N 2 1 272.436 3.306 20 0 CGADMP CCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285408557 196276817 /nfs/dbraw/zinc/27/68/17/196276817.db2.gz FSDDFIQGBYWPQV-JWTNVVGKSA-N 2 1 272.436 3.306 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000285416739 196279138 /nfs/dbraw/zinc/27/91/38/196279138.db2.gz JJBKWCIVALQILI-OAZXXZECSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000285416739 196279140 /nfs/dbraw/zinc/27/91/40/196279140.db2.gz JJBKWCIVALQILI-OAZXXZECSA-N 2 1 292.373 3.194 20 0 CGADMP CCC(CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515576 173246942 /nfs/dbraw/zinc/24/69/42/173246942.db2.gz IOHPTWZBOTXSQL-UHFFFAOYSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000128555322 287313753 /nfs/dbraw/zinc/31/37/53/287313753.db2.gz OTKYAYZAHSSALJ-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC1CCCCC1 ZINC000050953366 416478240 /nfs/dbraw/zinc/47/82/40/416478240.db2.gz QTTFJYVVPILZIG-UHFFFAOYSA-N 2 1 252.446 3.278 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000050953051 416479184 /nfs/dbraw/zinc/47/91/84/416479184.db2.gz RWJIVAWYWJFMKU-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130120094 287345444 /nfs/dbraw/zinc/34/54/44/287345444.db2.gz AIRCTXPSIXKWPM-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130120094 287345448 /nfs/dbraw/zinc/34/54/48/287345448.db2.gz AIRCTXPSIXKWPM-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000131363774 287377207 /nfs/dbraw/zinc/37/72/07/287377207.db2.gz WGVLJOJBQJGDKD-BPQIPLTHSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000683770726 543939996 /nfs/dbraw/zinc/93/99/96/543939996.db2.gz QZAQSCCWGSYEBQ-UHFFFAOYSA-N 2 1 294.402 3.310 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000684379008 543989385 /nfs/dbraw/zinc/98/93/85/543989385.db2.gz UFWCARRGEQMRGR-BRWVUGGUSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000684379008 543989386 /nfs/dbraw/zinc/98/93/86/543989386.db2.gz UFWCARRGEQMRGR-BRWVUGGUSA-N 2 1 296.499 3.434 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000684394105 543992624 /nfs/dbraw/zinc/99/26/24/543992624.db2.gz WYOZZFNEGOSUCF-UIBIWLFHSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000684411335 543995608 /nfs/dbraw/zinc/99/56/08/543995608.db2.gz UGMMWHIXUFPXOJ-KGLIPLIRSA-N 2 1 268.470 3.389 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCOc2ccccc21 ZINC000685462713 544074700 /nfs/dbraw/zinc/07/47/00/544074700.db2.gz PWYBQIOAPLXPEK-MRXNPFEDSA-N 2 1 290.451 3.216 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000685470470 544077437 /nfs/dbraw/zinc/07/74/37/544077437.db2.gz SURZNAWGKGEFMJ-BGTYHANMSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000685470470 544077439 /nfs/dbraw/zinc/07/74/39/544077439.db2.gz SURZNAWGKGEFMJ-BGTYHANMSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000685470470 544077440 /nfs/dbraw/zinc/07/74/40/544077440.db2.gz SURZNAWGKGEFMJ-BGTYHANMSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000685470470 544077443 /nfs/dbraw/zinc/07/74/43/544077443.db2.gz SURZNAWGKGEFMJ-BGTYHANMSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]1C[C@@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)CC[N@H+]1C ZINC000684963154 544047253 /nfs/dbraw/zinc/04/72/53/544047253.db2.gz KVYYHDXCZJUOEA-WFASDCNBSA-N 2 1 295.858 3.296 20 0 CGADMP Cc1cccc(NCC2CC[NH+](Cc3ccncc3)CC2)[nH+]1 ZINC000664283045 418934378 /nfs/dbraw/zinc/93/43/78/418934378.db2.gz MWEFLNMDZSUHIT-UHFFFAOYSA-N 2 1 296.418 3.109 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741375 418935821 /nfs/dbraw/zinc/93/58/21/418935821.db2.gz CHLRRTFDUWFNIP-QMCVQRASSA-N 2 1 274.452 3.359 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3F)CCC2)CC[N@H+]1C ZINC000652220595 418936574 /nfs/dbraw/zinc/93/65/74/418936574.db2.gz DSNYADPYAABXAS-LSDHHAIUSA-N 2 1 290.426 3.320 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)CC2 ZINC000652220748 418936939 /nfs/dbraw/zinc/93/69/39/418936939.db2.gz IMMMNHFQXGWAKM-SFHVURJKSA-N 2 1 290.451 3.250 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000652222559 418938291 /nfs/dbraw/zinc/93/82/91/418938291.db2.gz RNLDARYKOXQWNX-KRWDZBQOSA-N 2 1 295.446 3.485 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000652222559 418938294 /nfs/dbraw/zinc/93/82/94/418938294.db2.gz RNLDARYKOXQWNX-KRWDZBQOSA-N 2 1 295.446 3.485 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000652222735 418938898 /nfs/dbraw/zinc/93/88/98/418938898.db2.gz WFVBJWILSBAHRA-OAHLLOKOSA-N 2 1 263.429 3.019 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000652222735 418938903 /nfs/dbraw/zinc/93/89/03/418938903.db2.gz WFVBJWILSBAHRA-OAHLLOKOSA-N 2 1 263.429 3.019 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](CC)C1CCCCC1)[C@@H]1CCOC1 ZINC000652237303 418940499 /nfs/dbraw/zinc/94/04/99/418940499.db2.gz KQWUTJWKLDMVDE-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000652306792 418950849 /nfs/dbraw/zinc/95/08/49/418950849.db2.gz CWNGRINUFUSHCY-KZNAEPCWSA-N 2 1 272.436 3.211 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653560950 419048138 /nfs/dbraw/zinc/04/81/38/419048138.db2.gz NBJYIRNVNRROBT-OAHLLOKOSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC2 ZINC000655738967 419082988 /nfs/dbraw/zinc/08/29/88/419082988.db2.gz RSVVIIVRSSTZSM-KRWDZBQOSA-N 2 1 270.420 3.142 20 0 CGADMP Clc1ccc([C@H]2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000665241513 419089435 /nfs/dbraw/zinc/08/94/35/419089435.db2.gz OZWCGYTZHLYNBW-IMJJTQAJSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253622 419093938 /nfs/dbraw/zinc/09/39/38/419093938.db2.gz XOTITNVFEWHSOG-WBQNTZJQSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257489 419095741 /nfs/dbraw/zinc/09/57/41/419095741.db2.gz KZPJAKICHBPGDR-NKKGCODLSA-N 2 1 276.399 3.049 20 0 CGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277402 419100205 /nfs/dbraw/zinc/10/02/05/419100205.db2.gz AOTPASZQBPKDRQ-NXYGQSRBSA-N 2 1 272.436 3.424 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2sccc21 ZINC000665280342 419100628 /nfs/dbraw/zinc/10/06/28/419100628.db2.gz ZGXCIGGGAGNWQD-IOTIRUCGSA-N 2 1 262.422 3.028 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665283733 419105800 /nfs/dbraw/zinc/10/58/00/419105800.db2.gz UBGIPOQRSIYYNS-COXVUDFISA-N 2 1 258.409 3.103 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983487 419051278 /nfs/dbraw/zinc/05/12/78/419051278.db2.gz NOFGZDYQFIRYLX-SZMVWBNQSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983487 419051283 /nfs/dbraw/zinc/05/12/83/419051283.db2.gz NOFGZDYQFIRYLX-SZMVWBNQSA-N 2 1 296.499 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983487 419051288 /nfs/dbraw/zinc/05/12/88/419051288.db2.gz NOFGZDYQFIRYLX-SZMVWBNQSA-N 2 1 296.499 3.386 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](OC)C2CCCCC2)CC1 ZINC000659983990 419054718 /nfs/dbraw/zinc/05/47/18/419054718.db2.gz ZYEMPABSRPZMAU-SFHVURJKSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655690733 419066732 /nfs/dbraw/zinc/06/67/32/419066732.db2.gz JZXGPQMZMLBKPA-OAGGEKHMSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000660078281 419072987 /nfs/dbraw/zinc/07/29/87/419072987.db2.gz TYHJKCMUWRCBNI-RYUDHWBXSA-N 2 1 271.355 3.271 20 0 CGADMP C(CCC1CCCC1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655717713 419075801 /nfs/dbraw/zinc/07/58/01/419075801.db2.gz HTUYTTMVRUIXJY-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000655939064 419129249 /nfs/dbraw/zinc/12/92/49/419129249.db2.gz BBXUYSCEMYPFAJ-YOEHRIQHSA-N 2 1 290.451 3.235 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000655939060 419129822 /nfs/dbraw/zinc/12/98/22/419129822.db2.gz BBXUYSCEMYPFAJ-PBHICJAKSA-N 2 1 290.451 3.235 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000660415645 419141259 /nfs/dbraw/zinc/14/12/59/419141259.db2.gz GUVNIZWTWBDOBS-STQMWFEESA-N 2 1 262.388 3.084 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655544 419176123 /nfs/dbraw/zinc/17/61/23/419176123.db2.gz NATPAMWHOKAJDF-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655544 419176125 /nfs/dbraw/zinc/17/61/25/419176125.db2.gz NATPAMWHOKAJDF-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655544 419176127 /nfs/dbraw/zinc/17/61/27/419176127.db2.gz NATPAMWHOKAJDF-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655544 419176129 /nfs/dbraw/zinc/17/61/29/419176129.db2.gz NATPAMWHOKAJDF-RHSMWYFYSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccccc1Cl)C2 ZINC000660661295 419178648 /nfs/dbraw/zinc/17/86/48/419178648.db2.gz ZVZVABBOADNUHB-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccccc1Cl)C2 ZINC000660661295 419178651 /nfs/dbraw/zinc/17/86/51/419178651.db2.gz ZVZVABBOADNUHB-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1Cl)C2 ZINC000660661295 419178654 /nfs/dbraw/zinc/17/86/54/419178654.db2.gz ZVZVABBOADNUHB-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1Cl)C2 ZINC000660661295 419178657 /nfs/dbraw/zinc/17/86/57/419178657.db2.gz ZVZVABBOADNUHB-KRWDZBQOSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3cccnc31)C2 ZINC000660661133 419180067 /nfs/dbraw/zinc/18/00/67/419180067.db2.gz YVSPGUUYSZIUBV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3cccnc31)C2 ZINC000660661133 419180069 /nfs/dbraw/zinc/18/00/69/419180069.db2.gz YVSPGUUYSZIUBV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC000660661133 419180072 /nfs/dbraw/zinc/18/00/72/419180072.db2.gz YVSPGUUYSZIUBV-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP CCCn1nccc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000657311552 419248230 /nfs/dbraw/zinc/24/82/30/419248230.db2.gz NMIIEFCTGMUPAR-MRXNPFEDSA-N 2 1 292.471 3.037 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000657361273 419259713 /nfs/dbraw/zinc/25/97/13/419259713.db2.gz JZWGOXXYFUJSNL-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656692174 419203599 /nfs/dbraw/zinc/20/35/99/419203599.db2.gz LPWNHOYPCZXUIP-MAUKXSAKSA-N 2 1 292.467 3.162 20 0 CGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000656692174 419203602 /nfs/dbraw/zinc/20/36/02/419203602.db2.gz LPWNHOYPCZXUIP-MAUKXSAKSA-N 2 1 292.467 3.162 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000656788697 419221154 /nfs/dbraw/zinc/22/11/54/419221154.db2.gz WZSZEUUHSYVXSY-UHFFFAOYSA-N 2 1 273.207 3.355 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657559696 419303932 /nfs/dbraw/zinc/30/39/32/419303932.db2.gz PYGPEVPQKNIDAM-WBAXXEDZSA-N 2 1 290.426 3.282 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661873266 419310103 /nfs/dbraw/zinc/31/01/03/419310103.db2.gz DTBWFSXBCYJIPO-ZWKOTPCHSA-N 2 1 294.483 3.144 20 0 CGADMP COc1cccc(C2([NH2+]CCCc3c[nH+]cn3C)CCC2)c1 ZINC000662110098 419336744 /nfs/dbraw/zinc/33/67/44/419336744.db2.gz CGQRBHPEGBGJIG-UHFFFAOYSA-N 2 1 299.418 3.030 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000662243444 419370638 /nfs/dbraw/zinc/37/06/38/419370638.db2.gz BFZZCCKCNHNKLY-PBHICJAKSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000662248887 419371717 /nfs/dbraw/zinc/37/17/17/419371717.db2.gz DSKTYEPDIVYMKN-RDJZCZTQSA-N 2 1 260.425 3.070 20 0 CGADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+](C)CC1 ZINC000657824539 419371876 /nfs/dbraw/zinc/37/18/76/419371876.db2.gz UGABCDOEKYQTNF-HNNXBMFYSA-N 2 1 286.463 3.180 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657824873 419375167 /nfs/dbraw/zinc/37/51/67/419375167.db2.gz WKVQKPBPZUQYJQ-LLVKDONJSA-N 2 1 275.421 3.041 20 0 CGADMP CCC[N@@H+](C[C@@H](CC)CC(F)F)C1CC[NH2+]CC1 ZINC000662265867 419376691 /nfs/dbraw/zinc/37/66/91/419376691.db2.gz WILWHJUFEYQTHR-LBPRGKRZSA-N 2 1 262.388 3.132 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657830306 419377614 /nfs/dbraw/zinc/37/76/14/419377614.db2.gz HROCVXSZOJLVSE-ILXRZTDVSA-N 2 1 252.446 3.131 20 0 CGADMP CO[C@H](C[N@@H+](CCC[NH3+])Cc1ccccc1)C1CCCC1 ZINC000662272162 419378809 /nfs/dbraw/zinc/37/88/09/419378809.db2.gz LINUGKPJANQKAW-GOSISDBHSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267681 419378915 /nfs/dbraw/zinc/37/89/15/419378915.db2.gz XNCUKVGTKSKRGK-IDCNUPLLSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000662271519 419379982 /nfs/dbraw/zinc/37/99/82/419379982.db2.gz VOIITGOKPFVVNO-SWLSCSKDSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657838911 419381118 /nfs/dbraw/zinc/38/11/18/419381118.db2.gz HNDFFNGYFZXNCB-OKILXGFUSA-N 2 1 288.426 3.032 20 0 CGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000662294872 419383876 /nfs/dbraw/zinc/38/38/76/419383876.db2.gz FWLNIPLSCCCAKK-HOTGVXAUSA-N 2 1 258.409 3.050 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293688 419385985 /nfs/dbraw/zinc/38/59/85/419385985.db2.gz MCMROGZHTNHISF-HIFRSBDPSA-N 2 1 288.426 3.379 20 0 CGADMP [NH3+]CC[C@H]1CCCCN1c1cc[nH+]c2ccsc21 ZINC000663240144 419527825 /nfs/dbraw/zinc/52/78/25/419527825.db2.gz YGCHBRSTDWNBMA-LLVKDONJSA-N 2 1 261.394 3.004 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C)C1CC1 ZINC000658031913 419508786 /nfs/dbraw/zinc/50/87/86/419508786.db2.gz NNEZYIZNCMRZBE-PMPSAXMXSA-N 2 1 264.457 3.275 20 0 CGADMP CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663465149 419615695 /nfs/dbraw/zinc/61/56/95/419615695.db2.gz IHTFUBNKLOYNNV-AOCRQIFASA-N 2 1 294.483 3.046 20 0 CGADMP FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465211 419616772 /nfs/dbraw/zinc/61/67/72/419616772.db2.gz IQCIYYKLEUQKKO-YESZJQIVSA-N 2 1 282.447 3.226 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663466246 419617037 /nfs/dbraw/zinc/61/70/37/419617037.db2.gz PXIHHCFJUUHLDB-DOTOQJQBSA-N 2 1 287.451 3.163 20 0 CGADMP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466792 419622113 /nfs/dbraw/zinc/62/21/13/419622113.db2.gz AFWJYQKMYLASEY-GOEBONIOSA-N 2 1 292.492 3.391 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663470171 419624067 /nfs/dbraw/zinc/62/40/67/419624067.db2.gz SQVJZWCAMZHCOQ-NVXWUHKLSA-N 2 1 272.436 3.459 20 0 CGADMP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227688 419685242 /nfs/dbraw/zinc/68/52/42/419685242.db2.gz BMDQFKRMWHBWPD-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227688 419685249 /nfs/dbraw/zinc/68/52/49/419685249.db2.gz BMDQFKRMWHBWPD-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229683 419691288 /nfs/dbraw/zinc/69/12/88/419691288.db2.gz SZHUVQLHLJVJCT-JZXOWHBKSA-N 2 1 294.483 3.188 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229683 419691296 /nfs/dbraw/zinc/69/12/96/419691296.db2.gz SZHUVQLHLJVJCT-JZXOWHBKSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000222808076 260239636 /nfs/dbraw/zinc/23/96/36/260239636.db2.gz MVTQIIMITFVDBX-AVGNSLFASA-N 2 1 252.427 3.272 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000222808076 260239637 /nfs/dbraw/zinc/23/96/37/260239637.db2.gz MVTQIIMITFVDBX-AVGNSLFASA-N 2 1 252.427 3.272 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000223192416 260281078 /nfs/dbraw/zinc/28/10/78/260281078.db2.gz JCWPAMZCCDIZFO-KBPBESRZSA-N 2 1 266.404 3.077 20 0 CGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]3C2)cc1 ZINC000390811832 262348595 /nfs/dbraw/zinc/34/85/95/262348595.db2.gz WIDLFIXGXJEXNN-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC4CC4)C[C@H]3C2)cc1 ZINC000390811832 262348597 /nfs/dbraw/zinc/34/85/97/262348597.db2.gz WIDLFIXGXJEXNN-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC4CC4)C[C@H]3C2)cc1 ZINC000390811832 262348599 /nfs/dbraw/zinc/34/85/99/262348599.db2.gz WIDLFIXGXJEXNN-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000044533809 270036124 /nfs/dbraw/zinc/03/61/24/270036124.db2.gz FVMCAXWBDIWISK-RYUDHWBXSA-N 2 1 284.806 3.472 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000045692449 270038933 /nfs/dbraw/zinc/03/89/33/270038933.db2.gz WUGXBHYNVJYPEI-HOTGVXAUSA-N 2 1 292.467 3.336 20 0 CGADMP COCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103228984 270045574 /nfs/dbraw/zinc/04/55/74/270045574.db2.gz SKDIKXTXTFJRPU-SFHVURJKSA-N 2 1 296.499 3.391 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC(C)C2)c1 ZINC000184322570 270058187 /nfs/dbraw/zinc/05/81/87/270058187.db2.gz STOYMIATNXNTEY-UHFFFAOYSA-N 2 1 260.425 3.415 20 0 CGADMP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@H](c2ccco2)C1 ZINC000519175577 265351626 /nfs/dbraw/zinc/35/16/26/265351626.db2.gz PDPQUGDJGWDKMG-HOCLYGCPSA-N 2 1 287.407 3.419 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H](c2ccco2)C1 ZINC000519175577 265351630 /nfs/dbraw/zinc/35/16/30/265351630.db2.gz PDPQUGDJGWDKMG-HOCLYGCPSA-N 2 1 287.407 3.419 20 0 CGADMP c1nc(C2CCCCC2)sc1C[NH2+]C1CC[NH2+]CC1 ZINC000520368355 270098758 /nfs/dbraw/zinc/09/87/58/270098758.db2.gz RQEOEQQLBUEVEF-UHFFFAOYSA-N 2 1 279.453 3.032 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000527537759 270129279 /nfs/dbraw/zinc/12/92/79/270129279.db2.gz GBSYSYWYTIMUDW-DOTOQJQBSA-N 2 1 287.451 3.133 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC12CC2 ZINC000527844184 270139328 /nfs/dbraw/zinc/13/93/28/270139328.db2.gz GPLOOLJNMBQZON-KKUMJFAQSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527921233 270144041 /nfs/dbraw/zinc/14/40/41/270144041.db2.gz QNSZCTMHGQXQFW-CRAIPNDOSA-N 2 1 274.452 3.457 20 0 CGADMP C[C@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015457 270151459 /nfs/dbraw/zinc/15/14/59/270151459.db2.gz XNLPBLBZKFXJTH-XJKSGUPXSA-N 2 1 274.408 3.060 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529530822 270182476 /nfs/dbraw/zinc/18/24/76/270182476.db2.gz IMWQDYZNMVRXCX-CRWXNKLISA-N 2 1 288.426 3.376 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529530822 270182477 /nfs/dbraw/zinc/18/24/77/270182477.db2.gz IMWQDYZNMVRXCX-CRWXNKLISA-N 2 1 288.426 3.376 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1Cl ZINC000531689167 270208826 /nfs/dbraw/zinc/20/88/26/270208826.db2.gz HRFVEHRTJUHUSJ-LLVKDONJSA-N 2 1 282.815 3.093 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000532212811 270214262 /nfs/dbraw/zinc/21/42/62/270214262.db2.gz TZKHRLAGTOCJOF-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000532212811 270214263 /nfs/dbraw/zinc/21/42/63/270214263.db2.gz TZKHRLAGTOCJOF-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)c1 ZINC000532522941 270216749 /nfs/dbraw/zinc/21/67/49/270216749.db2.gz IBWKTZGRLNBOOL-MNEFBYGVSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)c1 ZINC000532522941 270216750 /nfs/dbraw/zinc/21/67/50/270216750.db2.gz IBWKTZGRLNBOOL-MNEFBYGVSA-N 2 1 286.463 3.388 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072643 270221271 /nfs/dbraw/zinc/22/12/71/270221271.db2.gz RVKUXSLLSBVMPS-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072643 270221272 /nfs/dbraw/zinc/22/12/72/270221272.db2.gz RVKUXSLLSBVMPS-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072643 270221273 /nfs/dbraw/zinc/22/12/73/270221273.db2.gz RVKUXSLLSBVMPS-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422876432 273562921 /nfs/dbraw/zinc/56/29/21/273562921.db2.gz FSLJQGLMPLGGMK-ZDUSSCGKSA-N 2 1 269.392 3.468 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CCC2 ZINC000221922102 274135817 /nfs/dbraw/zinc/13/58/17/274135817.db2.gz CYZZGXKPTHRYJA-GOSISDBHSA-N 2 1 290.451 3.393 20 0 CGADMP COc1cccc2c(N3CCC[C@@H]([NH+](C)C)C3)cc(C)[nH+]c12 ZINC000124241370 274149985 /nfs/dbraw/zinc/14/99/85/274149985.db2.gz DHKDUNCHESCCSZ-CQSZACIVSA-N 2 1 299.418 3.082 20 0 CGADMP CSc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000335398092 274188776 /nfs/dbraw/zinc/18/87/76/274188776.db2.gz FNDRJRXXMWRSMF-KRWDZBQOSA-N 2 1 290.476 3.470 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)[C@H](C)C[NH2+]1 ZINC000033635620 274366808 /nfs/dbraw/zinc/36/68/08/274366808.db2.gz XUTWPKJOWFCPRF-GHMZBOCLSA-N 2 1 275.783 3.075 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163732778 276042220 /nfs/dbraw/zinc/04/22/20/276042220.db2.gz RVZPGELRJNCWOZ-KBAYOESNSA-N 2 1 274.452 3.470 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163732778 276042221 /nfs/dbraw/zinc/04/22/21/276042221.db2.gz RVZPGELRJNCWOZ-KBAYOESNSA-N 2 1 274.452 3.470 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000271706319 276152149 /nfs/dbraw/zinc/15/21/49/276152149.db2.gz NMSHYAARQVGOAQ-DYVFJYSZSA-N 2 1 258.409 3.309 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000337380388 276228176 /nfs/dbraw/zinc/22/81/76/276228176.db2.gz ALLWGKSIWYAVEY-JSGCOSHPSA-N 2 1 274.399 3.132 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000338018936 276339895 /nfs/dbraw/zinc/33/98/95/276339895.db2.gz MSDVEVSMJQNUHD-RBSFLKMASA-N 2 1 258.425 3.225 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000443405666 276358553 /nfs/dbraw/zinc/35/85/53/276358553.db2.gz KLUCSTSPSVHELP-WBVHZDCISA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000443405666 276358554 /nfs/dbraw/zinc/35/85/54/276358554.db2.gz KLUCSTSPSVHELP-WBVHZDCISA-N 2 1 264.457 3.395 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(SC)CCC2)C[C@H]1C ZINC000356139516 276394290 /nfs/dbraw/zinc/39/42/90/276394290.db2.gz SPTYTLZRXAGAFE-ZIAGYGMSSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(SC)CCC2)C[C@H]1C ZINC000356139516 276394291 /nfs/dbraw/zinc/39/42/91/276394291.db2.gz SPTYTLZRXAGAFE-ZIAGYGMSSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(SC)CCC2)C[C@H]1C ZINC000356139516 276394292 /nfs/dbraw/zinc/39/42/92/276394292.db2.gz SPTYTLZRXAGAFE-ZIAGYGMSSA-N 2 1 270.486 3.077 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000414178071 277073367 /nfs/dbraw/zinc/07/33/67/277073367.db2.gz KCZILQXNZWGFBC-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009645 277160950 /nfs/dbraw/zinc/16/09/50/277160950.db2.gz OPIGJYAQYBXONO-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009645 277160951 /nfs/dbraw/zinc/16/09/51/277160951.db2.gz OPIGJYAQYBXONO-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009645 277160952 /nfs/dbraw/zinc/16/09/52/277160952.db2.gz OPIGJYAQYBXONO-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)C1 ZINC000429009645 277160953 /nfs/dbraw/zinc/16/09/53/277160953.db2.gz OPIGJYAQYBXONO-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000430598298 277275703 /nfs/dbraw/zinc/27/57/03/277275703.db2.gz CGYUOYNTQBSCSZ-PMPSAXMXSA-N 2 1 252.446 3.134 20 0 CGADMP C(C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CC1CCCCC1 ZINC000395178033 288006809 /nfs/dbraw/zinc/00/68/09/288006809.db2.gz PWTLRPUYJJNOPX-INIZCTEOSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H]1CCC[C@@](C[NH2+]C2CC(C)(C)C2)([NH+](C)C)C1 ZINC000395289787 288007948 /nfs/dbraw/zinc/00/79/48/288007948.db2.gz JJMISSJYDCREDY-XJKSGUPXSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccncn1 ZINC000395885203 288011616 /nfs/dbraw/zinc/01/16/16/288011616.db2.gz JYUKHSAPNSUPHB-OAHLLOKOSA-N 2 1 298.434 3.169 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1Cl ZINC000397239813 288022095 /nfs/dbraw/zinc/02/20/95/288022095.db2.gz LABVMEIEHOXLQK-DYEKYZERSA-N 2 1 296.842 3.154 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1Cl ZINC000397239813 288022097 /nfs/dbraw/zinc/02/20/97/288022097.db2.gz LABVMEIEHOXLQK-DYEKYZERSA-N 2 1 296.842 3.154 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000356831663 278257492 /nfs/dbraw/zinc/25/74/92/278257492.db2.gz DXMFGDHXGWDDMB-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343752749 278338353 /nfs/dbraw/zinc/33/83/53/278338353.db2.gz RTSYICBDAIHQSZ-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343752749 278338355 /nfs/dbraw/zinc/33/83/55/278338355.db2.gz RTSYICBDAIHQSZ-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1c[nH+]ccc1N ZINC000423137391 278350265 /nfs/dbraw/zinc/35/02/65/278350265.db2.gz WKBLNKCFANMWCY-VXGBXAGGSA-N 2 1 283.366 3.360 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459385172 288086825 /nfs/dbraw/zinc/08/68/25/288086825.db2.gz FZGNGUICQRTAJZ-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000459389066 288087897 /nfs/dbraw/zinc/08/78/97/288087897.db2.gz LNAKSLIYNCYSDT-UHFFFAOYSA-N 2 1 295.789 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000268785927 288106297 /nfs/dbraw/zinc/10/62/97/288106297.db2.gz VQWPESNXZAOVAL-IIDMSEBBSA-N 2 1 297.446 3.096 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450458071 279124844 /nfs/dbraw/zinc/12/48/44/279124844.db2.gz HJDASEPYLFRRAT-CGZBRXJRSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000127553038 288106949 /nfs/dbraw/zinc/10/69/49/288106949.db2.gz WSJDTJVGWLAXGS-QBPKDAKJSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H](C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414769002 279324109 /nfs/dbraw/zinc/32/41/09/279324109.db2.gz VYCLIQGQVVXXTA-SUNKGSAMSA-N 2 1 286.341 3.088 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414769002 279324111 /nfs/dbraw/zinc/32/41/11/279324111.db2.gz VYCLIQGQVVXXTA-SUNKGSAMSA-N 2 1 286.341 3.088 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300420732 279354921 /nfs/dbraw/zinc/35/49/21/279354921.db2.gz RTRBEQAHMHFMDQ-STQMWFEESA-N 2 1 280.378 3.427 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000459563379 279455272 /nfs/dbraw/zinc/45/52/72/279455272.db2.gz PZMHQSIEMGXQNL-QLFBSQMISA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000521858969 288140703 /nfs/dbraw/zinc/14/07/03/288140703.db2.gz JEGKGAGBHHRMGI-JTQLQIEISA-N 2 1 274.330 3.143 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479702700 280120128 /nfs/dbraw/zinc/12/01/28/280120128.db2.gz SQFSJTADNHCJIM-MAUKXSAKSA-N 2 1 272.436 3.254 20 0 CGADMP C/C(Cl)=C/C[N@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000528460064 288201802 /nfs/dbraw/zinc/20/18/02/288201802.db2.gz QMUSDJPEMLEHIO-VDBIKXPHSA-N 2 1 293.842 3.460 20 0 CGADMP C/C(Cl)=C/C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000528460064 288201805 /nfs/dbraw/zinc/20/18/05/288201805.db2.gz QMUSDJPEMLEHIO-VDBIKXPHSA-N 2 1 293.842 3.460 20 0 CGADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CC2 ZINC000423459673 280309180 /nfs/dbraw/zinc/30/91/80/280309180.db2.gz IGEJQFAUVOKBMU-OPQQBVKSSA-N 2 1 297.240 3.070 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423177260 281079144 /nfs/dbraw/zinc/07/91/44/281079144.db2.gz ISULJPSSPHIQDS-INIZCTEOSA-N 2 1 288.435 3.460 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000251238946 281124103 /nfs/dbraw/zinc/12/41/03/281124103.db2.gz PLGAANOOWHXOSI-SOLBZPMBSA-N 2 1 270.420 3.199 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000530407436 288305152 /nfs/dbraw/zinc/30/51/52/288305152.db2.gz HFRIHKAADYGIBZ-PKOBYXMFSA-N 2 1 297.446 3.354 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000530953000 288320350 /nfs/dbraw/zinc/32/03/50/288320350.db2.gz NBDBXFSNHFTDOX-AEFFLSMTSA-N 2 1 290.451 3.382 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000532219461 288355903 /nfs/dbraw/zinc/35/59/03/288355903.db2.gz XVGHTQDHGZFANJ-KRWDZBQOSA-N 2 1 269.392 3.323 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000532446228 288361116 /nfs/dbraw/zinc/36/11/16/288361116.db2.gz NFELLBJVMCAORS-ARFHVFGLSA-N 2 1 250.430 3.338 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000532446228 288361118 /nfs/dbraw/zinc/36/11/18/288361118.db2.gz NFELLBJVMCAORS-ARFHVFGLSA-N 2 1 250.430 3.338 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000533106260 288373770 /nfs/dbraw/zinc/37/37/70/288373770.db2.gz CBIBECFVIXHOST-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414697855 282035092 /nfs/dbraw/zinc/03/50/92/282035092.db2.gz CKTJLVNWMGCXAF-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000533531843 288385371 /nfs/dbraw/zinc/38/53/71/288385371.db2.gz KNSDOMKRHLSFES-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000533531843 288385373 /nfs/dbraw/zinc/38/53/73/288385373.db2.gz KNSDOMKRHLSFES-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000533531843 288385374 /nfs/dbraw/zinc/38/53/74/288385374.db2.gz KNSDOMKRHLSFES-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550619061 289079200 /nfs/dbraw/zinc/07/92/00/289079200.db2.gz JZECHRISUPETOI-MXASKKJJSA-N 2 1 258.409 3.068 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550619061 289079202 /nfs/dbraw/zinc/07/92/02/289079202.db2.gz JZECHRISUPETOI-MXASKKJJSA-N 2 1 258.409 3.068 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC=C(C)CC2)[C@@H](C)C1 ZINC000550887235 289088562 /nfs/dbraw/zinc/08/85/62/289088562.db2.gz XIANUQNQWJVORV-BZSNNMDCSA-N 2 1 294.483 3.212 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)o1 ZINC000552040649 289153215 /nfs/dbraw/zinc/15/32/15/289153215.db2.gz HOMLWGDRQHHGEK-GWFJUFKTSA-N 2 1 288.435 3.365 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552058050 289156011 /nfs/dbraw/zinc/15/60/11/289156011.db2.gz SSKRGILBQPNHIR-OTNNTWIISA-N 2 1 270.420 3.162 20 0 CGADMP FCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552264930 289176494 /nfs/dbraw/zinc/17/64/94/289176494.db2.gz BHEOIVXIDAWWRP-RCCFBDPRSA-N 2 1 290.426 3.236 20 0 CGADMP FCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552264928 289176501 /nfs/dbraw/zinc/17/65/01/289176501.db2.gz BHEOIVXIDAWWRP-KZNAEPCWSA-N 2 1 290.426 3.236 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000554113193 289260277 /nfs/dbraw/zinc/26/02/77/289260277.db2.gz QWUFDXDSZPYYEE-UNQWWWNPSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000093515876 289689317 /nfs/dbraw/zinc/68/93/17/289689317.db2.gz KRHXFWAPVXLXJE-SQNIBIBYSA-N 3 1 295.515 3.009 20 0 CGADMP CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)C1CCOCC1 ZINC000562785148 289734763 /nfs/dbraw/zinc/73/47/63/289734763.db2.gz FXASIRMMRIAVIU-ZWKOTPCHSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000424298468 290005844 /nfs/dbraw/zinc/00/58/44/290005844.db2.gz DGCOYGQEUIATDK-ZLKJLUDKSA-N 2 1 252.789 3.261 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCC[C@H]1C ZINC000449086252 290053463 /nfs/dbraw/zinc/05/34/63/290053463.db2.gz BLCADQFLKGAPSW-XAJHFOFHSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000514083098 290217262 /nfs/dbraw/zinc/21/72/62/290217262.db2.gz JRTGYXPBLKWRGH-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697910 290217885 /nfs/dbraw/zinc/21/78/85/290217885.db2.gz KEBVNNCGRZOULH-UTUOFQBUSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697910 290217887 /nfs/dbraw/zinc/21/78/87/290217887.db2.gz KEBVNNCGRZOULH-UTUOFQBUSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261664934 290224430 /nfs/dbraw/zinc/22/44/30/290224430.db2.gz KYDPUGIHRFAMHL-OSAQELSMSA-N 2 1 298.352 3.450 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261575940 290248192 /nfs/dbraw/zinc/24/81/92/290248192.db2.gz NKIUKDZLTURUTG-UEEZHKSASA-N 2 1 264.800 3.070 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129211294 290387479 /nfs/dbraw/zinc/38/74/79/290387479.db2.gz SLMXBDVIKALVSP-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423355942 294109756 /nfs/dbraw/zinc/10/97/56/294109756.db2.gz GATQLMSRMSTMFZ-UKRRQHHQSA-N 2 1 294.826 3.285 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218645 295146975 /nfs/dbraw/zinc/14/69/75/295146975.db2.gz SECASRVFGVEDET-AGIUHOORSA-N 2 1 296.842 3.387 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414669950 297252325 /nfs/dbraw/zinc/25/23/25/297252325.db2.gz CGKVSYYXLCVORR-KEYYUXOJSA-N 2 1 276.399 3.351 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130196447 302101989 /nfs/dbraw/zinc/10/19/89/302101989.db2.gz HXMLXLXGTLRYRP-CGTJXYLNSA-N 2 1 272.436 3.142 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346852723 302150008 /nfs/dbraw/zinc/15/00/08/302150008.db2.gz XGBZPWUQSCQDKO-WBVHZDCISA-N 2 1 258.409 3.132 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422718086 302199785 /nfs/dbraw/zinc/19/97/85/302199785.db2.gz WMIJQYSXUDHTGU-BHYGNILZSA-N 2 1 260.425 3.422 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000274118257 302294363 /nfs/dbraw/zinc/29/43/63/302294363.db2.gz AFUPZRZMEVHDDF-OAHLLOKOSA-N 2 1 275.440 3.163 20 0 CGADMP Fc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346996287 303129896 /nfs/dbraw/zinc/12/98/96/303129896.db2.gz WJZKYZOPLPXBOV-MRXNPFEDSA-N 2 1 276.399 3.037 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000388747307 328205838 /nfs/dbraw/zinc/20/58/38/328205838.db2.gz JXQIUGGKUTXEGH-JKSUJKDBSA-N 2 1 262.441 3.326 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000388747307 328205839 /nfs/dbraw/zinc/20/58/39/328205839.db2.gz JXQIUGGKUTXEGH-JKSUJKDBSA-N 2 1 262.441 3.326 20 0 CGADMP CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000158701539 321821671 /nfs/dbraw/zinc/82/16/71/321821671.db2.gz RREPXTCVWVGEQX-HOTGVXAUSA-N 2 1 275.440 3.244 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401767411 321969301 /nfs/dbraw/zinc/96/93/01/321969301.db2.gz MLYHVUYXYYBRQR-AWEZNQCLSA-N 2 1 287.407 3.102 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1nccn1-c1ccccc1 ZINC000563951085 322016516 /nfs/dbraw/zinc/01/65/16/322016516.db2.gz OKXCCEKMMBKDTP-ZMSDIMECSA-N 2 1 298.434 3.040 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000564822017 322045094 /nfs/dbraw/zinc/04/50/94/322045094.db2.gz BBPPCDRNUUHQSU-NSHDSACASA-N 2 1 256.340 3.004 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1c[nH+]ccc1N ZINC000565886240 322095449 /nfs/dbraw/zinc/09/54/49/322095449.db2.gz KVCHMLATIHVVRY-IGQOVBAYSA-N 2 1 259.397 3.114 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000565950919 322097908 /nfs/dbraw/zinc/09/79/08/322097908.db2.gz MUSXJFHMKGWJJB-ZWKOTPCHSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(C2CCCC2)c1 ZINC000566089062 322103593 /nfs/dbraw/zinc/10/35/93/322103593.db2.gz IMEWMXCOUGILHI-AWEZNQCLSA-N 2 1 290.455 3.310 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000566423871 322122295 /nfs/dbraw/zinc/12/22/95/322122295.db2.gz GOPVWBSPCNRMLS-KRWDZBQOSA-N 2 1 283.419 3.232 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000566423871 322122296 /nfs/dbraw/zinc/12/22/96/322122296.db2.gz GOPVWBSPCNRMLS-KRWDZBQOSA-N 2 1 283.419 3.232 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1 ZINC000567026492 322147209 /nfs/dbraw/zinc/14/72/09/322147209.db2.gz FMURCHYCFBQVKR-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)c1 ZINC000567026492 322147210 /nfs/dbraw/zinc/14/72/10/322147210.db2.gz FMURCHYCFBQVKR-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)c1 ZINC000567026492 322147212 /nfs/dbraw/zinc/14/72/12/322147212.db2.gz FMURCHYCFBQVKR-ROUUACIJSA-N 2 1 272.436 3.220 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000567429176 322163030 /nfs/dbraw/zinc/16/30/30/322163030.db2.gz BUURPALRNZZUSO-JYJNAYRXSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000567429176 322163031 /nfs/dbraw/zinc/16/30/31/322163031.db2.gz BUURPALRNZZUSO-JYJNAYRXSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000567429176 322163033 /nfs/dbraw/zinc/16/30/33/322163033.db2.gz BUURPALRNZZUSO-JYJNAYRXSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1ccc2ccnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000567749995 322176053 /nfs/dbraw/zinc/17/60/53/322176053.db2.gz CZBYILLBXFOUCI-SJLPKXTDSA-N 2 1 295.430 3.464 20 0 CGADMP CCC1CC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000568051353 322190060 /nfs/dbraw/zinc/19/00/60/322190060.db2.gz FHMMDEXNIXBYKJ-QQFBHYJXSA-N 2 1 252.446 3.419 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccn1 ZINC000568238441 322199934 /nfs/dbraw/zinc/19/99/34/322199934.db2.gz UYCJRWVQGQIVOM-CABCVRRESA-N 2 1 291.439 3.005 20 0 CGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccn1 ZINC000568238441 322199935 /nfs/dbraw/zinc/19/99/35/322199935.db2.gz UYCJRWVQGQIVOM-CABCVRRESA-N 2 1 291.439 3.005 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H](C)c1ccccc1 ZINC000568407738 322207967 /nfs/dbraw/zinc/20/79/67/322207967.db2.gz PGRAYTIIUSOZEP-HUUCEWRRSA-N 2 1 271.408 3.135 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000568569643 322214194 /nfs/dbraw/zinc/21/41/94/322214194.db2.gz FFMNYRAPELIDQS-HUUCEWRRSA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000568569643 322214196 /nfs/dbraw/zinc/21/41/96/322214196.db2.gz FFMNYRAPELIDQS-HUUCEWRRSA-N 2 1 280.431 3.465 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000569486203 322248689 /nfs/dbraw/zinc/24/86/89/322248689.db2.gz RMMOFZHRHXZTTQ-KRWDZBQOSA-N 2 1 260.425 3.207 20 0 CGADMP C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C[C@@H]1n1ccnc1 ZINC000569634703 322252557 /nfs/dbraw/zinc/25/25/57/322252557.db2.gz YYXOWRXGIVFVQL-KXBFYZLASA-N 2 1 295.430 3.181 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@@H](C)C[N@@H+](C)C(C)C)c2c1 ZINC000569866655 322259212 /nfs/dbraw/zinc/25/92/12/322259212.db2.gz SOFUTJIUEZGDJA-AWEZNQCLSA-N 2 1 271.408 3.106 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C/C(C)=C/c1ccccc1 ZINC000569968708 322261770 /nfs/dbraw/zinc/26/17/70/322261770.db2.gz LEOFQYYICJJNTE-JQIJEIRASA-N 2 1 260.425 3.364 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000569985322 322262353 /nfs/dbraw/zinc/26/23/53/322262353.db2.gz KEFBAVVYRBBLBZ-UHFFFAOYSA-N 2 1 283.419 3.016 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000569985322 322262355 /nfs/dbraw/zinc/26/23/55/322262355.db2.gz KEFBAVVYRBBLBZ-UHFFFAOYSA-N 2 1 283.419 3.016 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570514714 322275426 /nfs/dbraw/zinc/27/54/26/322275426.db2.gz UBPAEXAIPQWXTJ-NXHRZFHOSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570514714 322275428 /nfs/dbraw/zinc/27/54/28/322275428.db2.gz UBPAEXAIPQWXTJ-NXHRZFHOSA-N 2 1 284.447 3.429 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000570642507 322278674 /nfs/dbraw/zinc/27/86/74/322278674.db2.gz USTNMNDJSFMWLM-UHFFFAOYSA-N 2 1 289.810 3.064 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000571686509 322305233 /nfs/dbraw/zinc/30/52/33/322305233.db2.gz IVWQSTJJUBYFEY-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000571686509 322305234 /nfs/dbraw/zinc/30/52/34/322305234.db2.gz IVWQSTJJUBYFEY-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CCc1cccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000573569880 322394871 /nfs/dbraw/zinc/39/48/71/322394871.db2.gz DSQJIWUJYQZUBK-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000584121470 327044683 /nfs/dbraw/zinc/04/46/83/327044683.db2.gz MWSAQLCXGRPUBS-UHFFFAOYSA-N 2 1 261.413 3.009 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC2(CCCC2)C1 ZINC000584121470 327044684 /nfs/dbraw/zinc/04/46/84/327044684.db2.gz MWSAQLCXGRPUBS-UHFFFAOYSA-N 2 1 261.413 3.009 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000582856065 329281271 /nfs/dbraw/zinc/28/12/71/329281271.db2.gz KNPPLSZQLGSOLG-UHFFFAOYSA-N 2 1 282.391 3.243 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000035451465 329496657 /nfs/dbraw/zinc/49/66/57/329496657.db2.gz KEPGYXUSZSFAOQ-HNNXBMFYSA-N 2 1 278.440 3.455 20 0 CGADMP COC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1cccc(Cl)c1 ZINC000580421002 330128877 /nfs/dbraw/zinc/12/88/77/330128877.db2.gz YJQRGQNQLUSYLU-OAHLLOKOSA-N 2 1 284.831 3.005 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CSC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379632380 330144708 /nfs/dbraw/zinc/14/47/08/330144708.db2.gz SLEQLNZXYXQIFR-INMHGKMJSA-N 2 1 292.492 3.238 20 0 CGADMP CCc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000576880937 335259807 /nfs/dbraw/zinc/25/98/07/335259807.db2.gz XZKCSFLNTYTDBN-AWEZNQCLSA-N 2 1 271.408 3.180 20 0 CGADMP Cc1ccc(C)c([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)c1 ZINC000423308035 533714947 /nfs/dbraw/zinc/71/49/47/533714947.db2.gz XBISAJDUSJFTMO-LJQANCHMSA-N 2 1 280.415 3.202 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2Cc3ccccc3C2)C[C@H]1C ZINC000581102681 336008548 /nfs/dbraw/zinc/00/85/48/336008548.db2.gz HQKINBMZJIKOLX-BEFAXECRSA-N 2 1 286.463 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2Cc3ccccc3C2)C[C@H]1C ZINC000581102681 336008549 /nfs/dbraw/zinc/00/85/49/336008549.db2.gz HQKINBMZJIKOLX-BEFAXECRSA-N 2 1 286.463 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2Cc3ccccc3C2)C[C@H]1C ZINC000581102681 336008550 /nfs/dbraw/zinc/00/85/50/336008550.db2.gz HQKINBMZJIKOLX-BEFAXECRSA-N 2 1 286.463 3.206 20 0 CGADMP c1sc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380771704 336028363 /nfs/dbraw/zinc/02/83/63/336028363.db2.gz RWPKSRPBEJSMBJ-OKILXGFUSA-N 2 1 286.444 3.333 20 0 CGADMP CC1(C[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000581288610 336037318 /nfs/dbraw/zinc/03/73/18/336037318.db2.gz OPYAXNPVDFESNO-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380932815 336039994 /nfs/dbraw/zinc/03/99/94/336039994.db2.gz HPVBOXYAGDTRLF-NJAFHUGGSA-N 2 1 272.436 3.287 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000382131510 336082674 /nfs/dbraw/zinc/08/26/74/336082674.db2.gz OUAZANULZJLQIA-ILXRZTDVSA-N 2 1 264.438 3.416 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000382168355 336083433 /nfs/dbraw/zinc/08/34/33/336083433.db2.gz VTNQRWGYVIDMTH-YUTCNCBUSA-N 2 1 252.427 3.272 20 0 CGADMP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000382864563 336098212 /nfs/dbraw/zinc/09/82/12/336098212.db2.gz GFQRJJCYGQCFLN-MAUKXSAKSA-N 2 1 289.467 3.281 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581607940 336111539 /nfs/dbraw/zinc/11/15/39/336111539.db2.gz CXBLEMIKNZSTOT-DOTOQJQBSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383646370 336116078 /nfs/dbraw/zinc/11/60/78/336116078.db2.gz MXZHKAYPKPPLKT-SJKOYZFVSA-N 2 1 272.392 3.158 20 0 CGADMP CC/C=C\C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000384897115 336133926 /nfs/dbraw/zinc/13/39/26/336133926.db2.gz VNKXWPNZURBZRG-CLTKARDFSA-N 2 1 272.436 3.249 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000581892273 336161477 /nfs/dbraw/zinc/16/14/77/336161477.db2.gz HDKIHKMMDFBYHI-AWEZNQCLSA-N 2 1 263.429 3.111 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000581892273 336161479 /nfs/dbraw/zinc/16/14/79/336161479.db2.gz HDKIHKMMDFBYHI-AWEZNQCLSA-N 2 1 263.429 3.111 20 0 CGADMP CCC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184742971 519908500 /nfs/dbraw/zinc/90/85/00/519908500.db2.gz DWXAWZMWGSQVJJ-FKEKPDDDSA-N 2 1 260.425 3.143 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000348302438 500683448 /nfs/dbraw/zinc/68/34/48/500683448.db2.gz NKGCHKIODHDRDM-RDJZCZTQSA-N 2 1 293.430 3.211 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccc(Br)cc1 ZINC000087472213 521995131 /nfs/dbraw/zinc/99/51/31/521995131.db2.gz CMRYBMCSLMENEZ-LLVKDONJSA-N 2 1 285.229 3.051 20 0 CGADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)cc2ccccc21 ZINC000449064898 533870365 /nfs/dbraw/zinc/87/03/65/533870365.db2.gz WVEAXOISXBFGCI-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)C[NH+](C)C ZINC000425947821 534078667 /nfs/dbraw/zinc/07/86/67/534078667.db2.gz XHXSJLQSUVQHTH-SWLSCSKDSA-N 2 1 296.842 3.341 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000442797279 534081598 /nfs/dbraw/zinc/08/15/98/534081598.db2.gz WNUWEDBNSLBGJW-HOTGVXAUSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380080 534127408 /nfs/dbraw/zinc/12/74/08/534127408.db2.gz RDZBMWVZHIPJDS-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380080 534127421 /nfs/dbraw/zinc/12/74/21/534127421.db2.gz RDZBMWVZHIPJDS-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@]1(c2ccccc2)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359219146 534186940 /nfs/dbraw/zinc/18/69/40/534186940.db2.gz NEWCNOBTBMBDAO-SFHVURJKSA-N 2 1 272.436 3.040 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000084194235 534546212 /nfs/dbraw/zinc/54/62/12/534546212.db2.gz MWOMDKDBIYUVHA-MRXNPFEDSA-N 2 1 272.417 3.087 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643951 521257387 /nfs/dbraw/zinc/25/73/87/521257387.db2.gz MZSKRTNPBCLFFI-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643952 521258934 /nfs/dbraw/zinc/25/89/34/521258934.db2.gz MZSKRTNPBCLFFI-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000037643721 521717192 /nfs/dbraw/zinc/71/71/92/521717192.db2.gz NWYJPZMOWAIZCX-MRXNPFEDSA-N 2 1 268.404 3.271 20 0 CGADMP [NH3+]CCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423520570 534621776 /nfs/dbraw/zinc/62/17/76/534621776.db2.gz RLUCMIASPBAARB-FHWLQOOXSA-N 3 1 295.430 3.201 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C1CCCC1 ZINC000423516896 534677303 /nfs/dbraw/zinc/67/73/03/534677303.db2.gz YHAIFNNLVUXUON-IAGOWNOFSA-N 2 1 276.399 3.310 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000449032425 534692974 /nfs/dbraw/zinc/69/29/74/534692974.db2.gz YMBQJYPQYXAZII-LJQANCHMSA-N 2 1 286.463 3.488 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000049553230 524170063 /nfs/dbraw/zinc/17/00/63/524170063.db2.gz HQILNIFYQRMVGS-VXGBXAGGSA-N 2 1 286.366 3.279 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC12CCC2 ZINC000449163865 534768937 /nfs/dbraw/zinc/76/89/37/534768937.db2.gz NRXVONUSPOSESN-HNNXBMFYSA-N 2 1 261.413 3.284 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000163378963 525090675 /nfs/dbraw/zinc/09/06/75/525090675.db2.gz YSVOWJJZYLLVQL-MMIPBJDJSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000163378963 525090685 /nfs/dbraw/zinc/09/06/85/525090685.db2.gz YSVOWJJZYLLVQL-MMIPBJDJSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000049330291 527430960 /nfs/dbraw/zinc/43/09/60/527430960.db2.gz NQPWNGFXAVCAKR-NSHDSACASA-N 2 1 263.772 3.196 20 0 CGADMP C(CC1CCOCC1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000368635570 527477353 /nfs/dbraw/zinc/47/73/53/527477353.db2.gz ZJFSLDSYDLWISD-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCOC1 ZINC000437606880 527479736 /nfs/dbraw/zinc/47/97/36/527479736.db2.gz VREFKVZKSZFIMV-QZTJIDSGSA-N 2 1 294.483 3.001 20 0 CGADMP CC(C)C1([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423132005 527624561 /nfs/dbraw/zinc/62/45/61/527624561.db2.gz IPMRZEBMQOZMBX-HOTGVXAUSA-N 2 1 258.409 3.258 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000449025401 527754878 /nfs/dbraw/zinc/75/48/78/527754878.db2.gz BNGNLXKSRKCPAM-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000449025401 527754886 /nfs/dbraw/zinc/75/48/86/527754886.db2.gz BNGNLXKSRKCPAM-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000449025401 527754890 /nfs/dbraw/zinc/75/48/90/527754890.db2.gz BNGNLXKSRKCPAM-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000449025401 527754893 /nfs/dbraw/zinc/75/48/93/527754893.db2.gz BNGNLXKSRKCPAM-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC(C)CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccoc1 ZINC000423375089 527847619 /nfs/dbraw/zinc/84/76/19/527847619.db2.gz XKMFXUAQTCOGRZ-CVEARBPZSA-N 2 1 264.413 3.489 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H]2SC)c1 ZINC000425351589 527848256 /nfs/dbraw/zinc/84/82/56/527848256.db2.gz MCRWRLYYXWWLAN-JKSUJKDBSA-N 2 1 278.465 3.122 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000449372805 527879344 /nfs/dbraw/zinc/87/93/44/527879344.db2.gz APHROTUGEXCHMF-IEZWGBDMSA-N 2 1 286.463 3.426 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369539843 527885517 /nfs/dbraw/zinc/88/55/17/527885517.db2.gz KMTZIKWXGJGGER-IRXDYDNUSA-N 2 1 289.467 3.251 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369539843 527885522 /nfs/dbraw/zinc/88/55/22/527885522.db2.gz KMTZIKWXGJGGER-IRXDYDNUSA-N 2 1 289.467 3.251 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423265336 528163570 /nfs/dbraw/zinc/16/35/70/528163570.db2.gz CVOZRFUJOCJDBE-PBHICJAKSA-N 2 1 278.440 3.355 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2cccc(C)c2)C1 ZINC000449031760 528184809 /nfs/dbraw/zinc/18/48/09/528184809.db2.gz WDGYQSWISKMEOO-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP CCC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCC1 ZINC000449151461 528217008 /nfs/dbraw/zinc/21/70/08/528217008.db2.gz APDOHRQAGLAFJS-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423269652 528519101 /nfs/dbraw/zinc/51/91/01/528519101.db2.gz WBBRWHQHQBNJMF-USXIJHARSA-N 2 1 275.440 3.071 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423270423 528519610 /nfs/dbraw/zinc/51/96/10/528519610.db2.gz WQEPKWJBKPZNGI-IUODEOHRSA-N 2 1 284.394 3.249 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423268193 528519713 /nfs/dbraw/zinc/51/97/13/528519713.db2.gz UJYSHRICUFSJDE-GDBMZVCRSA-N 2 1 264.388 3.166 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423298531 528823899 /nfs/dbraw/zinc/82/38/99/528823899.db2.gz OKNHMWQNYVJNRZ-HOTGVXAUSA-N 2 1 264.388 3.384 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449335331 528827285 /nfs/dbraw/zinc/82/72/85/528827285.db2.gz KYYHCHGEFDMVPC-CHWSQXEVSA-N 2 1 284.394 3.387 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449335331 528827288 /nfs/dbraw/zinc/82/72/88/528827288.db2.gz KYYHCHGEFDMVPC-CHWSQXEVSA-N 2 1 284.394 3.387 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000414807253 528948807 /nfs/dbraw/zinc/94/88/07/528948807.db2.gz QWVUFPRABKRMMC-UHFFFAOYSA-N 2 1 258.768 3.086 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423302896 528954232 /nfs/dbraw/zinc/95/42/32/528954232.db2.gz WFNIOQMUIWYEMA-DZGCQCFKSA-N 2 1 274.408 3.471 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)C(C)(C)C ZINC000423475391 529012387 /nfs/dbraw/zinc/01/23/87/529012387.db2.gz KGNRGNPVGOXTHT-VXGBXAGGSA-N 2 1 262.388 3.036 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423262984 529071203 /nfs/dbraw/zinc/07/12/03/529071203.db2.gz ADGKJWXCBCPUSK-DGCLKSJQSA-N 2 1 266.454 3.261 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CCC1 ZINC000449132527 529179520 /nfs/dbraw/zinc/17/95/20/529179520.db2.gz UWBQNCPROPBPSC-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1F ZINC000423333521 529180639 /nfs/dbraw/zinc/18/06/39/529180639.db2.gz HRVLFCYCCJHXMR-HZPDHXFCSA-N 2 1 264.388 3.256 20 0 CGADMP CC[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000124119613 529217404 /nfs/dbraw/zinc/21/74/04/529217404.db2.gz VLGWYGCEIXKVPR-INIZCTEOSA-N 2 1 263.429 3.484 20 0 CGADMP CC[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000124119613 529217406 /nfs/dbraw/zinc/21/74/06/529217406.db2.gz VLGWYGCEIXKVPR-INIZCTEOSA-N 2 1 263.429 3.484 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000125993511 535066191 /nfs/dbraw/zinc/06/61/91/535066191.db2.gz NMWBCRQRFWKTBP-GDBMZVCRSA-N 2 1 294.487 3.481 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCOc2ccccc2)CC1 ZINC000263739859 535153268 /nfs/dbraw/zinc/15/32/68/535153268.db2.gz REXCZVPDQQCMQU-UHFFFAOYSA-N 2 1 290.451 3.260 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3cccnc32)C1 ZINC000459743144 536384323 /nfs/dbraw/zinc/38/43/23/536384323.db2.gz WLGGNCOWZRLWFR-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000459721829 536384450 /nfs/dbraw/zinc/38/44/50/536384450.db2.gz BCEQEVGNQOJWBO-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459729708 536384811 /nfs/dbraw/zinc/38/48/11/536384811.db2.gz DLPWPNGJDJZHKL-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@@H+](C[C@@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450983618 536421817 /nfs/dbraw/zinc/42/18/17/536421817.db2.gz RQAAESCSDQZPQS-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](C[C@@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450983618 536421818 /nfs/dbraw/zinc/42/18/18/536421818.db2.gz RQAAESCSDQZPQS-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP C[NH+](C[C@@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450983618 536421819 /nfs/dbraw/zinc/42/18/19/536421819.db2.gz RQAAESCSDQZPQS-RDGKXADDSA-N 2 1 286.410 3.369 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339183892 536797630 /nfs/dbraw/zinc/79/76/30/536797630.db2.gz WSBANSWJKZSZKC-UHFFFAOYSA-N 2 1 290.451 3.012 20 0 CGADMP CC[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](CC)C2)C1 ZINC000255371173 571672727 /nfs/dbraw/zinc/67/27/27/571672727.db2.gz XCCCAVMOUKFLLJ-HNXFAEETSA-N 2 1 250.430 3.006 20 0 CGADMP CC[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](CC)C2)C1 ZINC000255371173 571672730 /nfs/dbraw/zinc/67/27/30/571672730.db2.gz XCCCAVMOUKFLLJ-HNXFAEETSA-N 2 1 250.430 3.006 20 0 CGADMP CC[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](CC)C2)C1 ZINC000255371173 571672734 /nfs/dbraw/zinc/67/27/34/571672734.db2.gz XCCCAVMOUKFLLJ-HNXFAEETSA-N 2 1 250.430 3.006 20 0 CGADMP C[NH+](C)CCCCCCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000727469405 571749654 /nfs/dbraw/zinc/74/96/54/571749654.db2.gz YGSSSARYWLYCKE-UHFFFAOYSA-N 2 1 288.439 3.165 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000336375540 571833040 /nfs/dbraw/zinc/83/30/40/571833040.db2.gz OJWXFBAAZBCYNX-INIZCTEOSA-N 2 1 280.362 3.200 20 0 CGADMP Cc1ccccc1OCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000726072804 572560202 /nfs/dbraw/zinc/56/02/02/572560202.db2.gz XIZOJKGKKLFHOC-UHFFFAOYSA-N 2 1 290.451 3.178 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[Si](C)(C)C)C1 ZINC000733794433 572603115 /nfs/dbraw/zinc/60/31/15/572603115.db2.gz DFSPFBPIDLAWTP-CVEARBPZSA-N 2 1 282.548 3.450 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000733794433 572603118 /nfs/dbraw/zinc/60/31/18/572603118.db2.gz DFSPFBPIDLAWTP-CVEARBPZSA-N 2 1 282.548 3.450 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000733794433 572603123 /nfs/dbraw/zinc/60/31/23/572603123.db2.gz DFSPFBPIDLAWTP-CVEARBPZSA-N 2 1 282.548 3.450 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1C ZINC000933485511 618237074 /nfs/dbraw/zinc/23/70/74/618237074.db2.gz GJYUIZCRICTYOG-ZBFHGGJFSA-N 2 1 276.424 3.139 20 0 CGADMP COCCCC1(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)CCC1 ZINC000891561998 618238837 /nfs/dbraw/zinc/23/88/37/618238837.db2.gz PFVHQFCVKQBTIE-UHFFFAOYSA-N 2 1 296.499 3.388 20 0 CGADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ncccc1Cl ZINC000926206271 618244344 /nfs/dbraw/zinc/24/43/44/618244344.db2.gz IMBCUOHBJCSEND-CQSZACIVSA-N 2 1 292.814 3.142 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926455946 618692059 /nfs/dbraw/zinc/69/20/59/618692059.db2.gz HRHISRZDEHHMKF-IXDOHACOSA-N 2 1 284.488 3.028 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926455946 618692060 /nfs/dbraw/zinc/69/20/60/618692060.db2.gz HRHISRZDEHHMKF-IXDOHACOSA-N 2 1 284.488 3.028 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CCCCC1 ZINC000924561919 618835296 /nfs/dbraw/zinc/83/52/96/618835296.db2.gz YMLZPOBOAUOLQK-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CCCCC1 ZINC000924561922 618835426 /nfs/dbraw/zinc/83/54/26/618835426.db2.gz YMLZPOBOAUOLQK-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000019942781 618973775 /nfs/dbraw/zinc/97/37/75/618973775.db2.gz LXYCMVKKLJWIOY-UHFFFAOYSA-N 2 1 286.366 3.110 20 0 CGADMP CC(C)[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CC1 ZINC000093678150 619209171 /nfs/dbraw/zinc/20/91/71/619209171.db2.gz PIGZSMZEBRKHLP-MQVJKMGUSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1 ZINC000925777441 619240193 /nfs/dbraw/zinc/24/01/93/619240193.db2.gz DOXJEKKUQXZRKS-ZYHUDNBSSA-N 2 1 288.769 3.235 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000893652480 619270427 /nfs/dbraw/zinc/27/04/27/619270427.db2.gz UMKUQHCPFJCWRK-CQSZACIVSA-N 2 1 294.389 3.096 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@]34C[C@H]3CCC4)CC[NH2+]2)cc1 ZINC000925881852 619306700 /nfs/dbraw/zinc/30/67/00/619306700.db2.gz VTLJMMFRSFZAJE-OWSLCNJRSA-N 2 1 270.420 3.260 20 0 CGADMP CC[N@H+](Cc1c[nH]c2ccccc12)CC1CC[NH+](C)CC1 ZINC000893906898 619328572 /nfs/dbraw/zinc/32/85/72/619328572.db2.gz FHJHUGNJCCIXHV-UHFFFAOYSA-N 2 1 285.435 3.332 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894189801 619408654 /nfs/dbraw/zinc/40/86/54/619408654.db2.gz FBYYYDNMOGNBHK-GFCCVEGCSA-N 2 1 290.432 3.038 20 0 CGADMP C[C@H](C[NH2+]Cc1nccc2ccccc21)C[NH+]1CCCCC1 ZINC000894194775 619409451 /nfs/dbraw/zinc/40/94/51/619409451.db2.gz FGGKCZUQQGJLEF-MRXNPFEDSA-N 2 1 297.446 3.446 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000261811095 619439670 /nfs/dbraw/zinc/43/96/70/619439670.db2.gz WYLAFNIFRGMACA-AWEZNQCLSA-N 2 1 286.391 3.172 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000261811095 619439674 /nfs/dbraw/zinc/43/96/74/619439674.db2.gz WYLAFNIFRGMACA-AWEZNQCLSA-N 2 1 286.391 3.172 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000261811097 619439732 /nfs/dbraw/zinc/43/97/32/619439732.db2.gz WYLAFNIFRGMACA-CQSZACIVSA-N 2 1 286.391 3.172 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000261811097 619439735 /nfs/dbraw/zinc/43/97/35/619439735.db2.gz WYLAFNIFRGMACA-CQSZACIVSA-N 2 1 286.391 3.172 20 0 CGADMP c1c2ccccc2sc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262037115 619552891 /nfs/dbraw/zinc/55/28/91/619552891.db2.gz OSKCNBWNJYDJIQ-UHFFFAOYSA-N 2 1 286.444 3.477 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)CC1 ZINC000894517974 619561522 /nfs/dbraw/zinc/56/15/22/619561522.db2.gz TURWGTIDOHASHH-OAHLLOKOSA-N 2 1 278.465 3.473 20 0 CGADMP C/C=C\C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895670187 619869325 /nfs/dbraw/zinc/86/93/25/619869325.db2.gz BKRKLSBZHGGKFQ-JZIMQPMSSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@H](CN[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000896721053 620049708 /nfs/dbraw/zinc/04/97/08/620049708.db2.gz LUAHQXIRUZZMGV-APWZRJJASA-N 2 1 297.446 3.468 20 0 CGADMP C[C@H](C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000896721053 620049711 /nfs/dbraw/zinc/04/97/11/620049711.db2.gz LUAHQXIRUZZMGV-APWZRJJASA-N 2 1 297.446 3.468 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621772 620411410 /nfs/dbraw/zinc/41/14/10/620411410.db2.gz SFUFMVCWBBMVMK-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H](CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621772 620411414 /nfs/dbraw/zinc/41/14/14/620411414.db2.gz SFUFMVCWBBMVMK-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H](CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621772 620411419 /nfs/dbraw/zinc/41/14/19/620411419.db2.gz SFUFMVCWBBMVMK-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000898017511 620467037 /nfs/dbraw/zinc/46/70/37/620467037.db2.gz OKJSCLSZWRCEMQ-RDBSUJKOSA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CCCC2)CC[N@H+]1C ZINC000898032750 620470190 /nfs/dbraw/zinc/47/01/90/620470190.db2.gz WYMJHOVPMZGXRE-BZUAXINKSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1CCCO)[NH+]1CCCC1 ZINC000924630908 620548984 /nfs/dbraw/zinc/54/89/84/620548984.db2.gz JNKHFMBTPUHJIF-SQNIBIBYSA-N 2 1 296.499 3.028 20 0 CGADMP Cl/C=C\C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000898434019 620587223 /nfs/dbraw/zinc/58/72/23/620587223.db2.gz RLYWNNVZRRQENB-WTKPLQERSA-N 2 1 256.821 3.126 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2cccc(F)c2)CC1(C)C ZINC000898446146 620589423 /nfs/dbraw/zinc/58/94/23/620589423.db2.gz YTXRZDCNFGDZMM-HNNXBMFYSA-N 2 1 294.414 3.057 20 0 CGADMP CC(C)[N@@H+](CCC[NH2+]C1CC1)Cc1cccs1 ZINC000042519322 621086648 /nfs/dbraw/zinc/08/66/48/621086648.db2.gz ZCJDQGUUDSOOSZ-UHFFFAOYSA-N 2 1 252.427 3.101 20 0 CGADMP CCNc1ccccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000902042619 621114020 /nfs/dbraw/zinc/11/40/20/621114020.db2.gz SBEFDZXQGSQIFK-UHFFFAOYSA-N 2 1 275.440 3.081 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000902332234 621267374 /nfs/dbraw/zinc/26/73/74/621267374.db2.gz DFRJJAAMVIUQCL-CQSZACIVSA-N 2 1 293.455 3.446 20 0 CGADMP [NH3+]C1(C[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000902413327 621323033 /nfs/dbraw/zinc/32/30/33/621323033.db2.gz KJFLRKSLHMFGEF-HNNXBMFYSA-N 2 1 262.372 3.138 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902468215 621339658 /nfs/dbraw/zinc/33/96/58/621339658.db2.gz NGABANCBSPAUCR-LKPRIIMKSA-N 2 1 290.838 3.459 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471378 621341342 /nfs/dbraw/zinc/34/13/42/621341342.db2.gz OJBGHYDSURIWPT-QMCVQRASSA-N 2 1 272.436 3.225 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000902793590 621450247 /nfs/dbraw/zinc/45/02/47/621450247.db2.gz LCOUAQFJPRZEEL-BRWVUGGUSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902794476 621451918 /nfs/dbraw/zinc/45/19/18/621451918.db2.gz WMRBEUQWKIQIOD-WCXIOVBPSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1C[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000903017257 621519537 /nfs/dbraw/zinc/51/95/37/621519537.db2.gz RAJRHRVUTVLARX-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000903060088 621549519 /nfs/dbraw/zinc/54/95/19/621549519.db2.gz QPVRCCDUASEUSD-FHIRATQRSA-N 2 1 264.457 3.274 20 0 CGADMP Cc1ccsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903080589 621561872 /nfs/dbraw/zinc/56/18/72/621561872.db2.gz QLJJHTZNYYWAIP-LQDVMPOASA-N 2 1 276.449 3.304 20 0 CGADMP CCSCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903102879 621575364 /nfs/dbraw/zinc/57/53/64/621575364.db2.gz BUYWAWJNADBWMZ-WYQXTGKHSA-N 2 1 282.497 3.266 20 0 CGADMP CS[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903097405 621586004 /nfs/dbraw/zinc/58/60/04/621586004.db2.gz FPMXVEQIESWXLU-PPHJYPGKSA-N 2 1 294.508 3.408 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCC12CC2 ZINC000903210507 621630458 /nfs/dbraw/zinc/63/04/58/621630458.db2.gz YTQPHFGHQPSWQX-YTTRVJOFSA-N 2 1 274.452 3.314 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000903341325 621695745 /nfs/dbraw/zinc/69/57/45/621695745.db2.gz MXVBHRCOLGTSEA-XGUBFFRZSA-N 2 1 286.410 3.274 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381897 621723549 /nfs/dbraw/zinc/72/35/49/621723549.db2.gz AYLKORRNPGIMPS-WBVHZDCISA-N 2 1 277.456 3.489 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903437524 621746298 /nfs/dbraw/zinc/74/62/98/621746298.db2.gz JDPLAUIZEQDIAX-PVAVHDDUSA-N 2 1 260.425 3.443 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457549 621751675 /nfs/dbraw/zinc/75/16/75/621751675.db2.gz WRJAOHIISJUUSG-PWSUYJOCSA-N 2 1 270.779 3.038 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000903463428 621753226 /nfs/dbraw/zinc/75/32/26/621753226.db2.gz AWJXGMHHVHSEFH-INWMFGNUSA-N 2 1 292.398 3.099 20 0 CGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903443814 621756062 /nfs/dbraw/zinc/75/60/62/621756062.db2.gz INJLEXDPAPAGAZ-UWWQBHOKSA-N 2 1 287.451 3.017 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497271 621766938 /nfs/dbraw/zinc/76/69/38/621766938.db2.gz SNAKROUAICROPT-MBNYWOFBSA-N 2 1 298.377 3.266 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903728923 621797167 /nfs/dbraw/zinc/79/71/67/621797167.db2.gz HRROKXJDUCIUPD-UXLLHSPISA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000903730631 621797456 /nfs/dbraw/zinc/79/74/56/621797456.db2.gz YCPVNYNOYCLBBT-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903729553 621797602 /nfs/dbraw/zinc/79/76/02/621797602.db2.gz OPXVLAZZJYBLSA-UGUYLWEFSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000903730629 621797683 /nfs/dbraw/zinc/79/76/83/621797683.db2.gz YCPVNYNOYCLBBT-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903749954 621799582 /nfs/dbraw/zinc/79/95/82/621799582.db2.gz SVZDMWPNMLFMCP-SJLPKXTDSA-N 2 1 290.426 3.368 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1CF ZINC000903739933 621801068 /nfs/dbraw/zinc/80/10/68/621801068.db2.gz BJXQLLNYNSYSPI-MQVJKMGUSA-N 2 1 262.372 3.000 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H]2CCCC[NH2+]C2)s1 ZINC000903739432 621801098 /nfs/dbraw/zinc/80/10/98/621801098.db2.gz JPIOZDYKCDZERG-KBPBESRZSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CCCC[NH2+]C2)s1 ZINC000903739432 621801099 /nfs/dbraw/zinc/80/10/99/621801099.db2.gz JPIOZDYKCDZERG-KBPBESRZSA-N 2 1 295.496 3.396 20 0 CGADMP Fc1ccccc1C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903878726 621825519 /nfs/dbraw/zinc/82/55/19/621825519.db2.gz XQIXHVRODKUYLJ-VHRNVKJDSA-N 2 1 288.410 3.321 20 0 CGADMP Fc1cccc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903883863 621826067 /nfs/dbraw/zinc/82/60/67/621826067.db2.gz KWPUEWOLUKDYGO-FXANMCRTSA-N 2 1 288.410 3.493 20 0 CGADMP [NH3+][C@@H](C[NH2+]CCc1cc(Cl)cc(Cl)c1)CC(F)F ZINC000903922959 621833314 /nfs/dbraw/zinc/83/33/14/621833314.db2.gz IGNWAKQCQRGXJV-LLVKDONJSA-N 2 1 297.176 3.108 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)CC12CCCCC2 ZINC000903916490 621835900 /nfs/dbraw/zinc/83/59/00/621835900.db2.gz SPJQWESUHSPUCZ-CHWSQXEVSA-N 2 1 274.399 3.261 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)CC12CCCCC2 ZINC000903916490 621835901 /nfs/dbraw/zinc/83/59/01/621835901.db2.gz SPJQWESUHSPUCZ-CHWSQXEVSA-N 2 1 274.399 3.261 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000903941227 621838380 /nfs/dbraw/zinc/83/83/80/621838380.db2.gz RVYDSBQXDCPHEV-UHFFFAOYSA-N 2 1 293.411 3.166 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972423 621843748 /nfs/dbraw/zinc/84/37/48/621843748.db2.gz IIQMQANSAFPBCA-WBVHZDCISA-N 2 1 294.483 3.094 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903973988 621844406 /nfs/dbraw/zinc/84/44/06/621844406.db2.gz RLHPSAIPCKYRQS-JCYILVPMSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306002 621901879 /nfs/dbraw/zinc/90/18/79/621901879.db2.gz XPUUMQHINUQQSU-UTUOFQBUSA-N 2 1 275.421 3.026 20 0 CGADMP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307440 621902636 /nfs/dbraw/zinc/90/26/36/621902636.db2.gz AJSFXPDHDBHBLI-OTVXOJSOSA-N 2 1 266.816 3.288 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)C1 ZINC000904309370 621903151 /nfs/dbraw/zinc/90/31/51/621903151.db2.gz IYBQIQQMHLOPAM-QIIPPGSGSA-N 2 1 270.420 3.266 20 0 CGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313969 621904386 /nfs/dbraw/zinc/90/43/86/621904386.db2.gz OZWBPPCPHZRNET-SPUZQDLCSA-N 2 1 272.436 3.382 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000904321492 621906156 /nfs/dbraw/zinc/90/61/56/621906156.db2.gz YUWWBHBZUVKDNI-ZBFHGGJFSA-N 2 1 293.480 3.150 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000904321492 621906160 /nfs/dbraw/zinc/90/61/60/621906160.db2.gz YUWWBHBZUVKDNI-ZBFHGGJFSA-N 2 1 293.480 3.150 20 0 CGADMP CC[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000904336329 621908483 /nfs/dbraw/zinc/90/84/83/621908483.db2.gz NUWDMPXECNARKW-WMLDXEAASA-N 2 1 276.424 3.165 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346164 621910323 /nfs/dbraw/zinc/91/03/23/621910323.db2.gz PSRPIONRGZAQCR-SDDRHHMPSA-N 2 1 297.240 3.179 20 0 CGADMP CC[C@@H](C[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904346649 621910383 /nfs/dbraw/zinc/91/03/83/621910383.db2.gz XMFPCWLBCSHEBF-YQQAZPJKSA-N 2 1 260.425 3.239 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C(F)F)c(F)c1)C1CCCC1 ZINC000904358346 621913315 /nfs/dbraw/zinc/91/33/15/621913315.db2.gz LXCMKCXVOYRERX-AWEZNQCLSA-N 2 1 286.341 3.370 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000904411684 621918752 /nfs/dbraw/zinc/91/87/52/621918752.db2.gz WBXJYXJPPKZJLW-HLLBOEOZSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC000904410818 621918954 /nfs/dbraw/zinc/91/89/54/621918954.db2.gz ITFOONMOSBXWGU-GXTWGEPZSA-N 2 1 274.433 3.318 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c2ccccc12 ZINC000904412677 621919012 /nfs/dbraw/zinc/91/90/12/621919012.db2.gz WDUFCKHLYIXLJA-GJZGRUSLSA-N 2 1 298.430 3.265 20 0 CGADMP Cc1[nH+]ccn1-c1cncc(-c2ccc(C[NH+](C)C)s2)c1 ZINC000904865450 622013271 /nfs/dbraw/zinc/01/32/71/622013271.db2.gz XUFLGPPEKFNWRZ-UHFFFAOYSA-N 2 1 298.415 3.366 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000044532912 622792461 /nfs/dbraw/zinc/79/24/61/622792461.db2.gz ZZBVDGHCYXHSJT-WMLDXEAASA-N 2 1 288.435 3.004 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000156562615 622825087 /nfs/dbraw/zinc/82/50/87/622825087.db2.gz BVFGGNHATYMYNR-COXVUDFISA-N 2 1 288.435 3.145 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000156562615 622825088 /nfs/dbraw/zinc/82/50/88/622825088.db2.gz BVFGGNHATYMYNR-COXVUDFISA-N 2 1 288.435 3.145 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)SC ZINC000229622788 623150141 /nfs/dbraw/zinc/15/01/41/623150141.db2.gz ZKXWDIYJIDYGMM-ZIAGYGMSSA-N 2 1 270.486 3.125 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862374 623271237 /nfs/dbraw/zinc/27/12/37/623271237.db2.gz HUPZMCQQYOYSBU-OAHLLOKOSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862374 623271249 /nfs/dbraw/zinc/27/12/49/623271249.db2.gz HUPZMCQQYOYSBU-OAHLLOKOSA-N 2 1 266.816 3.162 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929748528 623552499 /nfs/dbraw/zinc/55/24/99/623552499.db2.gz JYACFTYLIPLQCJ-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929777775 623630925 /nfs/dbraw/zinc/63/09/25/623630925.db2.gz COAJNQRFCHQWKL-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929777775 623630930 /nfs/dbraw/zinc/63/09/30/623630930.db2.gz COAJNQRFCHQWKL-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929777775 623630934 /nfs/dbraw/zinc/63/09/34/623630934.db2.gz COAJNQRFCHQWKL-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC000921598984 625693770 /nfs/dbraw/zinc/69/37/70/625693770.db2.gz RSYVNKVLTYIBCY-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC000921598984 625693780 /nfs/dbraw/zinc/69/37/80/625693780.db2.gz RSYVNKVLTYIBCY-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1nc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925474910 624435820 /nfs/dbraw/zinc/43/58/20/624435820.db2.gz AMQXNSKPOCLANQ-TUAOUCFPSA-N 2 1 281.469 3.262 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166344424 625797586 /nfs/dbraw/zinc/79/75/86/625797586.db2.gz WUTDCWGAIDOMCI-BPQIPLTHSA-N 2 1 272.436 3.397 20 0 CGADMP [NH3+]CC[C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000923484791 626156847 /nfs/dbraw/zinc/15/68/47/626156847.db2.gz NAXPQQLEQPKVJI-AWEZNQCLSA-N 2 1 278.399 3.427 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480738 626157186 /nfs/dbraw/zinc/15/71/86/626157186.db2.gz BWYJXOHRYAGQCS-NHYWBVRUSA-N 2 1 268.351 3.087 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000923480584 626157197 /nfs/dbraw/zinc/15/71/97/626157197.db2.gz AKZXZTKOVQGVJK-LLVKDONJSA-N 2 1 293.461 3.042 20 0 CGADMP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)co2)cc1 ZINC000923496728 626158774 /nfs/dbraw/zinc/15/87/74/626158774.db2.gz CLAPIYHZOJWXIP-HOCLYGCPSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)nc1 ZINC000840809107 626191871 /nfs/dbraw/zinc/19/18/71/626191871.db2.gz OTRPUKXVXBNYEP-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000753661806 626461564 /nfs/dbraw/zinc/46/15/64/626461564.db2.gz HPTDUPSXGDVOIB-OWCLPIDISA-N 2 1 290.451 3.445 20 0 CGADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000753661806 626461565 /nfs/dbraw/zinc/46/15/65/626461565.db2.gz HPTDUPSXGDVOIB-OWCLPIDISA-N 2 1 290.451 3.445 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000020203981 634507107 /nfs/dbraw/zinc/50/71/07/634507107.db2.gz PQJLHWSQWBJEEK-OAHLLOKOSA-N 2 1 262.397 3.119 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763522159 627162947 /nfs/dbraw/zinc/16/29/47/627162947.db2.gz XHKWDOUSIJXKEO-UKTHLTGXSA-N 2 1 279.255 3.359 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000764966846 627234368 /nfs/dbraw/zinc/23/43/68/627234368.db2.gz OTTWSINLRVSLBK-JCGIZDLHSA-N 2 1 288.435 3.363 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000764966846 627234371 /nfs/dbraw/zinc/23/43/71/627234371.db2.gz OTTWSINLRVSLBK-JCGIZDLHSA-N 2 1 288.435 3.363 20 0 CGADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3cc(OC)ccc32)C[C@@H]1C ZINC000765640856 627264520 /nfs/dbraw/zinc/26/45/20/627264520.db2.gz HPERGHUKTSLCKA-UONOGXRCSA-N 2 1 299.418 3.162 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000766213393 627303450 /nfs/dbraw/zinc/30/34/50/627303450.db2.gz GFVYHLJSRGBVFF-OIISXLGYSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000766250656 627306723 /nfs/dbraw/zinc/30/67/23/627306723.db2.gz UBFVITBTXRFMTG-UHFFFAOYSA-N 2 1 287.382 3.210 20 0 CGADMP C[N@@H+](Cc1cncc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000768547888 627485968 /nfs/dbraw/zinc/48/59/68/627485968.db2.gz YVSOFMHOPGAJDL-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[N@H+](Cc1cncc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000768547888 627485970 /nfs/dbraw/zinc/48/59/70/627485970.db2.gz YVSOFMHOPGAJDL-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cncc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000768547888 627485971 /nfs/dbraw/zinc/48/59/71/627485971.db2.gz YVSOFMHOPGAJDL-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cncc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768547888 627485973 /nfs/dbraw/zinc/48/59/73/627485973.db2.gz YVSOFMHOPGAJDL-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CC(C(F)F)C2)C1 ZINC000768677623 627492151 /nfs/dbraw/zinc/49/21/51/627492151.db2.gz IPZUNNIDWGFCDY-DGKWVBSXSA-N 2 1 288.426 3.378 20 0 CGADMP C[NH+](C)CCCC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769497964 627560622 /nfs/dbraw/zinc/56/06/22/627560622.db2.gz HYQFFWWTLDVFLL-UHFFFAOYSA-N 2 1 291.439 3.106 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000770732439 627640596 /nfs/dbraw/zinc/64/05/96/627640596.db2.gz CMNHQODWNKIIJL-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000770732439 627640604 /nfs/dbraw/zinc/64/06/04/627640604.db2.gz CMNHQODWNKIIJL-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623459 628115334 /nfs/dbraw/zinc/11/53/34/628115334.db2.gz QOFSBHOOMREHFF-KGLIPLIRSA-N 2 1 283.419 3.303 20 0 CGADMP CCO[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(CC)CC ZINC000782182668 628621181 /nfs/dbraw/zinc/62/11/81/628621181.db2.gz DWCSFFUKIFAFSG-IRXDYDNUSA-N 2 1 296.499 3.244 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000783220208 628689149 /nfs/dbraw/zinc/68/91/49/628689149.db2.gz ARAHZOZILLVCFF-BZUAXINKSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000783224774 628690093 /nfs/dbraw/zinc/69/00/93/628690093.db2.gz RSPVMNQDRMIOGY-MAUKXSAKSA-N 2 1 272.436 3.348 20 0 CGADMP Cc1c(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)ccnc1F ZINC000862271662 629334247 /nfs/dbraw/zinc/33/42/47/629334247.db2.gz XAYZFJAARFQAPE-CQSZACIVSA-N 2 1 293.430 3.273 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863654307 629634272 /nfs/dbraw/zinc/63/42/72/629634272.db2.gz WHQJOROFHVCJGD-DZGCQCFKSA-N 2 1 266.816 3.290 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000795832227 629719480 /nfs/dbraw/zinc/71/94/80/629719480.db2.gz SVZUSAQPQGIQQB-KFAOIVLFSA-N 2 1 264.457 3.274 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865405202 630105687 /nfs/dbraw/zinc/10/56/87/630105687.db2.gz ZXRVALGZPNDWBL-UHFFFAOYSA-N 2 1 276.424 3.048 20 0 CGADMP CCC(C)(C)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000865679566 630348492 /nfs/dbraw/zinc/34/84/92/630348492.db2.gz XPXNCZSLXPJYNB-UHFFFAOYSA-N 2 1 269.458 3.121 20 0 CGADMP CC(C)(O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817925365 632234957 /nfs/dbraw/zinc/23/49/57/632234957.db2.gz VJGRURLZJIHJLD-ROUUACIJSA-N 2 1 296.414 3.148 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000817957772 632252039 /nfs/dbraw/zinc/25/20/39/632252039.db2.gz DTAHWTNZLRJVND-KLHDSHLOSA-N 2 1 252.446 3.308 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1Cl ZINC000817980634 632271110 /nfs/dbraw/zinc/27/11/10/632271110.db2.gz WEAIBTFTPGYXFN-MXWKQRLJSA-N 2 1 270.804 3.043 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000817981492 632271352 /nfs/dbraw/zinc/27/13/52/632271352.db2.gz LBVYPURZPJNAFX-CXAGYDPISA-N 2 1 276.424 3.253 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822654925 632999927 /nfs/dbraw/zinc/99/99/27/632999927.db2.gz UMQCKZSWYYMXLN-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822654925 632999935 /nfs/dbraw/zinc/99/99/35/632999935.db2.gz UMQCKZSWYYMXLN-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000866222144 633033776 /nfs/dbraw/zinc/03/37/76/633033776.db2.gz YUXQEAPOWDRMKL-HNNXBMFYSA-N 2 1 272.436 3.142 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000866239708 633040287 /nfs/dbraw/zinc/04/02/87/633040287.db2.gz ZZBWTZJAAGSYLW-JQHSSLGASA-N 2 1 272.436 3.142 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@@H](c1ccccn1)C(C)C ZINC000866381205 633113073 /nfs/dbraw/zinc/11/30/73/633113073.db2.gz JLNWHGMKQZRPPG-QGZVFWFLSA-N 2 1 277.456 3.346 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866381205 633113076 /nfs/dbraw/zinc/11/30/76/633113076.db2.gz JLNWHGMKQZRPPG-QGZVFWFLSA-N 2 1 277.456 3.346 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866381205 633113080 /nfs/dbraw/zinc/11/30/80/633113080.db2.gz JLNWHGMKQZRPPG-QGZVFWFLSA-N 2 1 277.456 3.346 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000872022821 633943947 /nfs/dbraw/zinc/94/39/47/633943947.db2.gz LOUSQVGTSFESSW-UPJWGTAASA-N 2 1 278.362 3.324 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000872022821 633943953 /nfs/dbraw/zinc/94/39/53/633943953.db2.gz LOUSQVGTSFESSW-UPJWGTAASA-N 2 1 278.362 3.324 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000872023684 633944548 /nfs/dbraw/zinc/94/45/48/633944548.db2.gz VKMASNDSXHQVDQ-NCOADZHNSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000872023684 633944554 /nfs/dbraw/zinc/94/45/54/633944554.db2.gz VKMASNDSXHQVDQ-NCOADZHNSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C(C)(C)CC ZINC000872032909 633952022 /nfs/dbraw/zinc/95/20/22/633952022.db2.gz BWJMJNCVSOLBJG-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872074308 633997215 /nfs/dbraw/zinc/99/72/15/633997215.db2.gz ZVPQVOADSDKSNR-PMPSAXMXSA-N 2 1 284.488 3.290 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872074308 633997218 /nfs/dbraw/zinc/99/72/18/633997218.db2.gz ZVPQVOADSDKSNR-PMPSAXMXSA-N 2 1 284.488 3.290 20 0 CGADMP COCCCCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156296 634065643 /nfs/dbraw/zinc/06/56/43/634065643.db2.gz HMIMOSQNFIZBBL-SJLPKXTDSA-N 2 1 296.499 3.423 20 0 CGADMP COCCCCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156297 634066424 /nfs/dbraw/zinc/06/64/24/634066424.db2.gz HMIMOSQNFIZBBL-WMZOPIPTSA-N 2 1 296.499 3.423 20 0 CGADMP C[N@H+](CCCCCC[NH3+])Cc1ncc(C(C)(C)C)s1 ZINC000873231323 634292303 /nfs/dbraw/zinc/29/23/03/634292303.db2.gz GAXDRBRAPFJVBN-UHFFFAOYSA-N 2 1 283.485 3.392 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ncc(C(C)(C)C)s1 ZINC000873231323 634292307 /nfs/dbraw/zinc/29/23/07/634292307.db2.gz GAXDRBRAPFJVBN-UHFFFAOYSA-N 2 1 283.485 3.392 20 0 CGADMP COc1ccc2oc(C[N@@H+](C)CCCCCC[NH3+])cc2c1 ZINC000873231308 634292351 /nfs/dbraw/zinc/29/23/51/634292351.db2.gz FAOYEUJYNOSSSV-UHFFFAOYSA-N 2 1 290.407 3.392 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1c[nH]nc1-c1cccs1 ZINC000873231549 634294443 /nfs/dbraw/zinc/29/44/43/634294443.db2.gz NWBHKFTVEWGXCH-UHFFFAOYSA-N 2 1 292.452 3.089 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876933118 634930870 /nfs/dbraw/zinc/93/08/70/634930870.db2.gz FVWUVSDTGBJWQM-OLZOCXBDSA-N 2 1 293.282 3.424 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cn1 ZINC000876951885 634934433 /nfs/dbraw/zinc/93/44/33/634934433.db2.gz QOMDXUPOKMTKOP-HYVNUMGLSA-N 2 1 296.418 3.102 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]CCc1cc(C)cc(C)c1 ZINC000877057377 634965579 /nfs/dbraw/zinc/96/55/79/634965579.db2.gz BRHJXPMKBHWQNX-UHFFFAOYSA-N 2 1 285.435 3.421 20 0 CGADMP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000841006451 635104821 /nfs/dbraw/zinc/10/48/21/635104821.db2.gz KVKMJUYSDWFTAV-CYBMUJFWSA-N 2 1 272.314 3.191 20 0 CGADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000841006451 635104823 /nfs/dbraw/zinc/10/48/23/635104823.db2.gz KVKMJUYSDWFTAV-CYBMUJFWSA-N 2 1 272.314 3.191 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841029586 635109352 /nfs/dbraw/zinc/10/93/52/635109352.db2.gz IJOYTGQFSPFZEY-GFCCVEGCSA-N 2 1 274.380 3.074 20 0 CGADMP Cc1nc(C)c(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000877767629 635194389 /nfs/dbraw/zinc/19/43/89/635194389.db2.gz QCWBSBINPMHPKG-UHFFFAOYSA-N 2 1 293.455 3.091 20 0 CGADMP FC1(F)CCC[C@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878123761 635368924 /nfs/dbraw/zinc/36/89/24/635368924.db2.gz FGLPXKYZOGOYPV-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000842472719 635378681 /nfs/dbraw/zinc/37/86/81/635378681.db2.gz JGFDXYSVYHZVLH-SJLPKXTDSA-N 2 1 290.451 3.358 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000879286063 635747420 /nfs/dbraw/zinc/74/74/20/635747420.db2.gz JCYVZHDDWRQNOR-OAHLLOKOSA-N 2 1 282.472 3.140 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCc3ccccc3)CC[C@H]21 ZINC000879580692 635816411 /nfs/dbraw/zinc/81/64/11/635816411.db2.gz JICGPGYJPYWDEL-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCc3ccccc3)CC[C@H]21 ZINC000879580692 635816417 /nfs/dbraw/zinc/81/64/17/635816417.db2.gz JICGPGYJPYWDEL-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000879580692 635816422 /nfs/dbraw/zinc/81/64/22/635816422.db2.gz JICGPGYJPYWDEL-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000879580692 635816426 /nfs/dbraw/zinc/81/64/26/635816426.db2.gz JICGPGYJPYWDEL-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(C)c1 ZINC000880473895 636007482 /nfs/dbraw/zinc/00/74/82/636007482.db2.gz CTDVVEYWFDELMZ-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)C[C@@H]1CCOC1)C1CCCCC1 ZINC000846021629 636130676 /nfs/dbraw/zinc/13/06/76/636130676.db2.gz FFAYKHGHCPGQSH-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000846109461 636145289 /nfs/dbraw/zinc/14/52/89/636145289.db2.gz JMOLCVGZJQCMSZ-AVGNSLFASA-N 2 1 293.282 3.280 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000846218056 636161063 /nfs/dbraw/zinc/16/10/63/636161063.db2.gz RTTVARFWACUSRU-CYBMUJFWSA-N 2 1 252.427 3.404 20 0 CGADMP [NH3+]CCCCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000846218757 636162158 /nfs/dbraw/zinc/16/21/58/636162158.db2.gz UMMKASCYFORRLO-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP [NH3+]CCCCCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000846220309 636162966 /nfs/dbraw/zinc/16/29/66/636162966.db2.gz FNQDNSDILSDDAO-UHFFFAOYSA-N 2 1 282.378 3.448 20 0 CGADMP [NH3+]CCCCCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000846220309 636162971 /nfs/dbraw/zinc/16/29/71/636162971.db2.gz FNQDNSDILSDDAO-UHFFFAOYSA-N 2 1 282.378 3.448 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000846221767 636163535 /nfs/dbraw/zinc/16/35/35/636163535.db2.gz NSROOWOKPBYBEI-SFHVURJKSA-N 3 1 295.515 3.094 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)[C@@H](C)C1 ZINC000883194348 636577669 /nfs/dbraw/zinc/57/76/69/636577669.db2.gz UCDHQZFKMIAAMD-ZNMIVQPWSA-N 2 1 250.430 3.029 20 0 CGADMP C1=C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000883237857 636607785 /nfs/dbraw/zinc/60/77/85/636607785.db2.gz LZDQYOHTSOVPML-GOSISDBHSA-N 2 1 284.447 3.249 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000883246357 636614972 /nfs/dbraw/zinc/61/49/72/636614972.db2.gz GYVRBASISQNZGN-ZHALLVOQSA-N 2 1 284.447 3.453 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000883246357 636614976 /nfs/dbraw/zinc/61/49/76/636614976.db2.gz GYVRBASISQNZGN-ZHALLVOQSA-N 2 1 284.447 3.453 20 0 CGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)cc1 ZINC000848996533 636709216 /nfs/dbraw/zinc/70/92/16/636709216.db2.gz CMCGUUSESYJZEM-CHWSQXEVSA-N 2 1 276.428 3.086 20 0 CGADMP CC(C)c1cccc(NC(=[NH2+])NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000849004892 636712449 /nfs/dbraw/zinc/71/24/49/636712449.db2.gz GTUKJBZWOCGLON-CQSZACIVSA-N 2 1 288.439 3.088 20 0 CGADMP CCC[N@@H+](CC[C@H]1CCCC1(F)F)C1CC[NH2+]CC1 ZINC000883424631 636752215 /nfs/dbraw/zinc/75/22/15/636752215.db2.gz YRLVWIYTUJYTTB-CYBMUJFWSA-N 2 1 274.399 3.276 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)O1 ZINC000883429466 636753702 /nfs/dbraw/zinc/75/37/02/636753702.db2.gz WKNQSMBXJOANLH-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCCC1 ZINC000885920934 637311647 /nfs/dbraw/zinc/31/16/47/637311647.db2.gz LQHDRHKBCJIJLP-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000886040725 637380678 /nfs/dbraw/zinc/38/06/78/637380678.db2.gz BTAYPKHDXPNBPU-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCc2cccnc21)C(C)(C)C ZINC000886528181 637555080 /nfs/dbraw/zinc/55/50/80/637555080.db2.gz IHFAMYNVSPGSQV-GJZGRUSLSA-N 2 1 275.440 3.025 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CC=C(Cl)Cl)C2)CC1 ZINC000852006644 637570829 /nfs/dbraw/zinc/57/08/29/637570829.db2.gz CGJDKRXFSWMZMF-UHFFFAOYSA-N 2 1 277.239 3.113 20 0 CGADMP CCC(F)(F)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886642851 637623231 /nfs/dbraw/zinc/62/32/31/637623231.db2.gz CFOJAVGQUWGZGD-UHFFFAOYSA-N 2 1 274.399 3.418 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CC[C@H]3CCCCO3)CC2)[nH+]c1C ZINC000886659612 637637315 /nfs/dbraw/zinc/63/73/15/637637315.db2.gz QSOQCSXZYFOQLN-MRXNPFEDSA-N 2 1 291.439 3.165 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3cccnc3C)CC2)[nH+]c1C ZINC000886660753 637639207 /nfs/dbraw/zinc/63/92/07/637639207.db2.gz FPIPBRPTRODTSM-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3cccc(C)n3)CC2)[nH+]c1C ZINC000886661200 637639226 /nfs/dbraw/zinc/63/92/26/637639226.db2.gz PBHZDXHRCQLPQA-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000852744215 637703810 /nfs/dbraw/zinc/70/38/10/637703810.db2.gz VOZFNQLWARTJEA-HNNXBMFYSA-N 2 1 260.425 3.155 20 0 CGADMP Cc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)c(Cl)n1 ZINC000852750076 637707007 /nfs/dbraw/zinc/70/70/07/637707007.db2.gz VBNVDGFXEKETRV-UHFFFAOYSA-N 2 1 295.858 3.384 20 0 CGADMP Cc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(Cl)n1 ZINC000852750076 637707009 /nfs/dbraw/zinc/70/70/09/637707009.db2.gz VBNVDGFXEKETRV-UHFFFAOYSA-N 2 1 295.858 3.384 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924570608 638364009 /nfs/dbraw/zinc/36/40/09/638364009.db2.gz QJXDBNGSVOAZOJ-CQSZACIVSA-N 2 1 290.451 3.049 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924571386 638364445 /nfs/dbraw/zinc/36/44/45/638364445.db2.gz FYMUGYXKLGRQIC-QAPCUYQASA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ncco1 ZINC000924686378 638388334 /nfs/dbraw/zinc/38/83/34/638388334.db2.gz SCUPRGXEEUGBSB-RBSFLKMASA-N 2 1 279.428 3.083 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688288 638388981 /nfs/dbraw/zinc/38/89/81/638388981.db2.gz SPBCIOKFHRSUOD-FGTMMUONSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H]([NH2+]CCCC[NH+](C)C)C(F)(F)c1ccccc1 ZINC000924854934 638415272 /nfs/dbraw/zinc/41/52/72/638415272.db2.gz OGQPUUPBJXOVHH-CYBMUJFWSA-N 2 1 270.367 3.098 20 0 CGADMP C[N@H+]1CCC[C@H](CN[C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012871 638436622 /nfs/dbraw/zinc/43/66/22/638436622.db2.gz XPORGJDCMNVHBX-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP CN1CCC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012871 638436629 /nfs/dbraw/zinc/43/66/29/638436629.db2.gz XPORGJDCMNVHBX-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012871 638436634 /nfs/dbraw/zinc/43/66/34/638436634.db2.gz XPORGJDCMNVHBX-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000925012871 638436636 /nfs/dbraw/zinc/43/66/36/638436636.db2.gz XPORGJDCMNVHBX-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)C12CCC2 ZINC000925586462 638537105 /nfs/dbraw/zinc/53/71/05/638537105.db2.gz TZMGSASQZOFGFB-MJBXVCDLSA-N 2 1 292.810 3.023 20 0 CGADMP C[C@H]([NH3+])[C@H](NCCC[C@@H]1CCCCO1)c1ccccc1 ZINC000925638448 638552872 /nfs/dbraw/zinc/55/28/72/638552872.db2.gz BWTFGLVWWAAGKG-XIRDDKMYSA-N 2 1 276.424 3.014 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccccc1 ZINC000925638448 638552878 /nfs/dbraw/zinc/55/28/78/638552878.db2.gz BWTFGLVWWAAGKG-XIRDDKMYSA-N 2 1 276.424 3.014 20 0 CGADMP CCCC[C@@H](C)[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752262 638596672 /nfs/dbraw/zinc/59/66/72/638596672.db2.gz UOJHIDWEBPWBLC-VXGBXAGGSA-N 2 1 281.469 3.175 20 0 CGADMP CCCC[C@@H](C)[C@@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752262 638596675 /nfs/dbraw/zinc/59/66/75/638596675.db2.gz UOJHIDWEBPWBLC-VXGBXAGGSA-N 2 1 281.469 3.175 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925800994 638615636 /nfs/dbraw/zinc/61/56/36/638615636.db2.gz HXNYONBJHXHPHF-IBWRZXHSSA-N 2 1 290.476 3.339 20 0 CGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(F)c1F ZINC000925839441 638628355 /nfs/dbraw/zinc/62/83/55/638628355.db2.gz BYUSPACVSBGRGP-DJSGYFEHSA-N 2 1 280.362 3.148 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925872041 638637467 /nfs/dbraw/zinc/63/74/67/638637467.db2.gz NSPNLOJIWSZJMF-KURKYZTESA-N 2 1 299.462 3.217 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC23CCCCC3)CC1(C)C ZINC000858193288 638655441 /nfs/dbraw/zinc/65/54/41/638655441.db2.gz BIOAQPJZPUOPFC-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000926203585 638739074 /nfs/dbraw/zinc/73/90/74/638739074.db2.gz MVNRWTLIMIQNSG-CJNGLKHVSA-N 2 1 261.413 3.077 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2ccccc2[nH]1 ZINC000926541571 638782928 /nfs/dbraw/zinc/78/29/28/638782928.db2.gz MQYVRHVAFWOXCV-WWTUQBGBSA-N 2 1 283.419 3.444 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738903 638805788 /nfs/dbraw/zinc/80/57/88/638805788.db2.gz NFMIXFTZDBLIIF-BLLLJJGKSA-N 2 1 291.439 3.064 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926738903 638805791 /nfs/dbraw/zinc/80/57/91/638805791.db2.gz NFMIXFTZDBLIIF-BLLLJJGKSA-N 2 1 291.439 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC=CCC2)[C@H](C)C1 ZINC000927122544 638845354 /nfs/dbraw/zinc/84/53/54/638845354.db2.gz JEFINDCTFULFLL-GDBMZVCRSA-N 2 1 250.430 3.053 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC3(CCC3)O2)C[C@H]1C ZINC000929780134 638950310 /nfs/dbraw/zinc/95/03/10/638950310.db2.gz LCECFWJUBVUBIR-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC3(CCC3)O2)C[C@H]1C ZINC000929780134 638950312 /nfs/dbraw/zinc/95/03/12/638950312.db2.gz LCECFWJUBVUBIR-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC3(CCC3)O2)C[C@H]1C ZINC000929780134 638950314 /nfs/dbraw/zinc/95/03/14/638950314.db2.gz LCECFWJUBVUBIR-IKGGRYGDSA-N 2 1 294.483 3.283 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCC(C)=C(c3ccco3)C2)[nH]1 ZINC000930350221 638992353 /nfs/dbraw/zinc/99/23/53/638992353.db2.gz HMJPATQAVGLXOR-UHFFFAOYSA-N 2 1 271.364 3.299 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931596838 639178257 /nfs/dbraw/zinc/17/82/57/639178257.db2.gz MKQYNCUGYXWHIG-OAHLLOKOSA-N 2 1 295.496 3.435 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931596838 639178259 /nfs/dbraw/zinc/17/82/59/639178259.db2.gz MKQYNCUGYXWHIG-OAHLLOKOSA-N 2 1 295.496 3.435 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931596838 639178264 /nfs/dbraw/zinc/17/82/64/639178264.db2.gz MKQYNCUGYXWHIG-OAHLLOKOSA-N 2 1 295.496 3.435 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091540826 640715355 /nfs/dbraw/zinc/71/53/55/640715355.db2.gz ZXUMTDJGSSRXOC-ZOWXZIJZSA-N 2 1 266.816 3.460 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC(C)(C)CC1 ZINC000093088889 640755150 /nfs/dbraw/zinc/75/51/50/640755150.db2.gz HMDPTXSOIKCOIO-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000252440188 640845005 /nfs/dbraw/zinc/84/50/05/640845005.db2.gz YBUGVETWZCQUIQ-WCXIOVBPSA-N 2 1 264.457 3.277 20 0 CGADMP [NH3+][C@H](C[NH2+]CC1CCCCCCC1)CC(F)(F)F ZINC001580133433 962693368 /nfs/dbraw/zinc/69/33/68/962693368.db2.gz YNEDHVZHOHCYKU-LBPRGKRZSA-N 2 1 266.351 3.216 20 0 CGADMP CCC[C@@H](CC)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001257249925 807070272 /nfs/dbraw/zinc/07/02/72/807070272.db2.gz FBBILRKHICOEEF-CQSZACIVSA-N 3 1 271.493 3.040 20 0 CGADMP CC1([NH+]2CCCC2)CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC001157657905 805846467 /nfs/dbraw/zinc/84/64/67/805846467.db2.gz PRJMZXFEAYQEJW-UHFFFAOYSA-N 2 1 299.462 3.415 20 0 CGADMP Cc1ccc2c(C)cc(N3CC[C@@](F)(C[NH3+])C3)[nH+]c2c1C ZINC001157816450 805878101 /nfs/dbraw/zinc/87/81/01/805878101.db2.gz IUOTYRBKVCOMAD-QGZVFWFLSA-N 2 1 287.382 3.037 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@](C)(C[NH3+])C1 ZINC001158678060 805984468 /nfs/dbraw/zinc/98/44/68/805984468.db2.gz AVAPTZFAVQTQDF-QGZVFWFLSA-N 2 1 269.392 3.108 20 0 CGADMP C(=CC1CC[NH2+]CC1)Nc1cccc2cc[nH+]cc21 ZINC001159563554 806122440 /nfs/dbraw/zinc/12/24/40/806122440.db2.gz IWCFFJCJLGUUNB-IZZDOVSWSA-N 2 1 253.349 3.160 20 0 CGADMP c1[nH]c2ccc(Nc3ccc(O[C@@H]4CC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159922318 806200347 /nfs/dbraw/zinc/20/03/47/806200347.db2.gz ILEPRCCIOVVRDP-OAHLLOKOSA-N 2 1 294.358 3.047 20 0 CGADMP CCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001253539764 806242412 /nfs/dbraw/zinc/24/24/12/806242412.db2.gz ZIXIKTXWPSVEOM-OKZBNKHCSA-N 2 1 296.499 3.266 20 0 CGADMP CCCCC[C@@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001253539764 806242417 /nfs/dbraw/zinc/24/24/17/806242417.db2.gz ZIXIKTXWPSVEOM-OKZBNKHCSA-N 2 1 296.499 3.266 20 0 CGADMP CCCCC[C@@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001253539764 806242426 /nfs/dbraw/zinc/24/24/26/806242426.db2.gz ZIXIKTXWPSVEOM-OKZBNKHCSA-N 2 1 296.499 3.266 20 0 CGADMP CCCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253540098 806243236 /nfs/dbraw/zinc/24/32/36/806243236.db2.gz CVNZHXPVNQHQGA-QGZVFWFLSA-N 2 1 284.488 3.124 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC3(CC3)CC1)C2 ZINC001254436517 806397415 /nfs/dbraw/zinc/39/74/15/806397415.db2.gz FEAXSJGYAQBGEH-PHZGNYQRSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC3(CC3)CC1)C2 ZINC001254436517 806397426 /nfs/dbraw/zinc/39/74/26/806397426.db2.gz FEAXSJGYAQBGEH-PHZGNYQRSA-N 2 1 262.441 3.314 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453586 806405977 /nfs/dbraw/zinc/40/59/77/806405977.db2.gz JWRRHKMZCIVYOY-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453586 806405980 /nfs/dbraw/zinc/40/59/80/806405980.db2.gz JWRRHKMZCIVYOY-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453586 806405982 /nfs/dbraw/zinc/40/59/82/806405982.db2.gz JWRRHKMZCIVYOY-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC001254500116 806420861 /nfs/dbraw/zinc/42/08/61/806420861.db2.gz FLGGGLYTUSHCKI-HZPDHXFCSA-N 2 1 264.388 3.351 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254506465 806424267 /nfs/dbraw/zinc/42/42/67/806424267.db2.gz SPDPTYMPCJBMMM-WBVHZDCISA-N 2 1 258.409 3.056 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254505103 806424452 /nfs/dbraw/zinc/42/44/52/806424452.db2.gz ZJVUIEKVDKFXPQ-QGZVFWFLSA-N 2 1 260.425 3.213 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254505738 806424943 /nfs/dbraw/zinc/42/49/43/806424943.db2.gz IAYWDLDFBGMOTN-QGZVFWFLSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC001254505039 806425496 /nfs/dbraw/zinc/42/54/96/806425496.db2.gz YDWRPECDCLCTNU-CYBMUJFWSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC001254505039 806425502 /nfs/dbraw/zinc/42/55/02/806425502.db2.gz YDWRPECDCLCTNU-CYBMUJFWSA-N 2 1 270.779 3.053 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC001254507237 806426913 /nfs/dbraw/zinc/42/69/13/806426913.db2.gz KLWBGIHFQIZMNN-CVEARBPZSA-N 2 1 264.388 3.351 20 0 CGADMP Cc1cccc(C(C)(C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254507589 806428531 /nfs/dbraw/zinc/42/85/31/806428531.db2.gz CNPLVNLMFQQSCO-MRXNPFEDSA-N 2 1 260.425 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CC1 ZINC001254511043 806430822 /nfs/dbraw/zinc/43/08/22/806430822.db2.gz TYSTYDOFVNNCOC-QGZVFWFLSA-N 2 1 290.426 3.365 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(Cc3ccccc3F)CCC2)CC1 ZINC001254512186 806432620 /nfs/dbraw/zinc/43/26/20/806432620.db2.gz JZLNVXHCOMOHOD-MRXNPFEDSA-N 2 1 290.426 3.365 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001254523611 806438957 /nfs/dbraw/zinc/43/89/57/806438957.db2.gz QETKAXWQIQMZTE-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001254523611 806438966 /nfs/dbraw/zinc/43/89/66/806438966.db2.gz QETKAXWQIQMZTE-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001254523611 806438975 /nfs/dbraw/zinc/43/89/75/806438975.db2.gz QETKAXWQIQMZTE-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254532809 806444459 /nfs/dbraw/zinc/44/44/59/806444459.db2.gz XHWXFGFRSRBRTC-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254532809 806444464 /nfs/dbraw/zinc/44/44/64/806444464.db2.gz XHWXFGFRSRBRTC-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532809 806444467 /nfs/dbraw/zinc/44/44/67/806444467.db2.gz XHWXFGFRSRBRTC-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP COc1cccc(C2(Nc3cc(C)cc[nH+]3)CC[NH2+]CC2)c1 ZINC001161992016 806497080 /nfs/dbraw/zinc/49/70/80/806497080.db2.gz FTINSRZENVOGTF-UHFFFAOYSA-N 2 1 297.402 3.089 20 0 CGADMP CCCC[C@H](CC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001257425729 807149299 /nfs/dbraw/zinc/14/92/99/807149299.db2.gz XUOJGRVWONHEBU-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001255016803 806526921 /nfs/dbraw/zinc/52/69/21/806526921.db2.gz WOKRIDMVFWLWES-SFHVURJKSA-N 2 1 284.447 3.008 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001255016803 806526933 /nfs/dbraw/zinc/52/69/33/806526933.db2.gz WOKRIDMVFWLWES-SFHVURJKSA-N 2 1 284.447 3.008 20 0 CGADMP [NH3+]Cc1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255129484 806550325 /nfs/dbraw/zinc/55/03/25/806550325.db2.gz ZNIJLIZCAXILPS-BWTSREIZSA-N 2 1 295.430 3.315 20 0 CGADMP CC1(C)CCC([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CC1 ZINC001255301675 806600127 /nfs/dbraw/zinc/60/01/27/806600127.db2.gz OUHOYGFDWRDWNM-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001255301675 806600131 /nfs/dbraw/zinc/60/01/31/806600131.db2.gz OUHOYGFDWRDWNM-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]CCc1cccn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388726 806630796 /nfs/dbraw/zinc/63/07/96/806630796.db2.gz GZCIYFOMFQFQAF-IBGZPJMESA-N 2 1 297.446 3.217 20 0 CGADMP CC[C@@H](COC)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388987 806631199 /nfs/dbraw/zinc/63/11/99/806631199.db2.gz BADGOXNCQAATCS-ROUUACIJSA-N 2 1 290.451 3.056 20 0 CGADMP CSCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383132 806631283 /nfs/dbraw/zinc/63/12/83/806631283.db2.gz FMKFNIUBPHVXBI-KRWDZBQOSA-N 2 1 292.492 3.384 20 0 CGADMP CC1(C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389471 806632333 /nfs/dbraw/zinc/63/23/33/806632333.db2.gz MZGUTAILXXBAHN-IRXDYDNUSA-N 2 1 272.436 3.429 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3C[C@@H]3C3CC3)CC2)cc1 ZINC001255395769 806632456 /nfs/dbraw/zinc/63/24/56/806632456.db2.gz CXOVTEUBAHQGJW-OTWHNJEPSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399394 806633254 /nfs/dbraw/zinc/63/32/54/806633254.db2.gz REFPQJJBVGICAG-NJAFHUGGSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399394 806633257 /nfs/dbraw/zinc/63/32/57/806633257.db2.gz REFPQJJBVGICAG-NJAFHUGGSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399394 806633258 /nfs/dbraw/zinc/63/32/58/806633258.db2.gz REFPQJJBVGICAG-NJAFHUGGSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399394 806633261 /nfs/dbraw/zinc/63/32/61/806633261.db2.gz REFPQJJBVGICAG-NJAFHUGGSA-N 2 1 290.426 3.331 20 0 CGADMP FC[C@H]1CCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408903 806634845 /nfs/dbraw/zinc/63/48/45/806634845.db2.gz FAGWXRKNNZLKKP-ZWKOTPCHSA-N 2 1 290.426 3.475 20 0 CGADMP FC[C@H]1CCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408903 806634851 /nfs/dbraw/zinc/63/48/51/806634851.db2.gz FAGWXRKNNZLKKP-ZWKOTPCHSA-N 2 1 290.426 3.475 20 0 CGADMP FC[C@H]1CCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408903 806634856 /nfs/dbraw/zinc/63/48/56/806634856.db2.gz FAGWXRKNNZLKKP-ZWKOTPCHSA-N 2 1 290.426 3.475 20 0 CGADMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCC(C(C)(C)C)CC1 ZINC001255496795 806652225 /nfs/dbraw/zinc/65/22/25/806652225.db2.gz CGNWXYBTQDLUCH-UHFFFAOYSA-N 3 1 297.531 3.194 20 0 CGADMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCC(C(C)(C)C)CC1 ZINC001255496795 806652230 /nfs/dbraw/zinc/65/22/30/806652230.db2.gz CGNWXYBTQDLUCH-UHFFFAOYSA-N 3 1 297.531 3.194 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCOC(C)(C)C2)CC1 ZINC001255551791 806672547 /nfs/dbraw/zinc/67/25/47/806672547.db2.gz PLHPRZSQCFMIGJ-INIZCTEOSA-N 2 1 282.472 3.140 20 0 CGADMP c1ccc2c(c1)cc[nH+]c2NC1CC2(C1)CCC[NH2+]C2 ZINC001162981110 806689065 /nfs/dbraw/zinc/68/90/65/806689065.db2.gz OGDBTMXDFKTUSZ-UHFFFAOYSA-N 2 1 267.376 3.179 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001255668905 806700371 /nfs/dbraw/zinc/70/03/71/806700371.db2.gz PAYMZQFXAWRSMI-WTXIUTQJSA-N 2 1 273.424 3.138 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1csc2ccccc12 ZINC000085622259 798942657 /nfs/dbraw/zinc/94/26/57/798942657.db2.gz PMROMLLWQKUGFE-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1csc2ccccc12 ZINC000085622259 798942661 /nfs/dbraw/zinc/94/26/61/798942661.db2.gz PMROMLLWQKUGFE-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1csc2ccccc12 ZINC000085622257 798943365 /nfs/dbraw/zinc/94/33/65/798943365.db2.gz PMROMLLWQKUGFE-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1csc2ccccc12 ZINC000085622257 798943368 /nfs/dbraw/zinc/94/33/68/798943368.db2.gz PMROMLLWQKUGFE-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000300525429 799205048 /nfs/dbraw/zinc/20/50/48/799205048.db2.gz YGDIJQXCUKVNJF-SJKOYZFVSA-N 2 1 260.425 3.029 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001255748639 806733880 /nfs/dbraw/zinc/73/38/80/806733880.db2.gz DIPCWDFGOABHOQ-LSDHHAIUSA-N 2 1 278.465 3.017 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000379679615 799353505 /nfs/dbraw/zinc/35/35/05/799353505.db2.gz XKXULJUANIZJBM-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000379679615 799353513 /nfs/dbraw/zinc/35/35/13/799353513.db2.gz XKXULJUANIZJBM-UHFFFAOYSA-N 2 1 271.408 3.055 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000382834164 799397863 /nfs/dbraw/zinc/39/78/63/799397863.db2.gz MDLKYLSOZUDBTQ-WOSRLPQWSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000382834164 799397872 /nfs/dbraw/zinc/39/78/72/799397872.db2.gz MDLKYLSOZUDBTQ-WOSRLPQWSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000382834166 799397979 /nfs/dbraw/zinc/39/79/79/799397979.db2.gz MDLKYLSOZUDBTQ-ZENOOKHLSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000382834166 799397987 /nfs/dbraw/zinc/39/79/87/799397987.db2.gz MDLKYLSOZUDBTQ-ZENOOKHLSA-N 2 1 280.843 3.201 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](Nc2ccc3c([nH+]2)CCC3)[C@H](C)C1 ZINC001163362988 806747493 /nfs/dbraw/zinc/74/74/93/806747493.db2.gz OYAOHSSTYHKGPW-HIFRSBDPSA-N 2 1 273.424 3.101 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2ccc3c([nH+]2)CCC3)[C@H](C)C1 ZINC001163362988 806747496 /nfs/dbraw/zinc/74/74/96/806747496.db2.gz OYAOHSSTYHKGPW-HIFRSBDPSA-N 2 1 273.424 3.101 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000394235713 799495736 /nfs/dbraw/zinc/49/57/36/799495736.db2.gz UVQDRPXVFJHVHT-CYBMUJFWSA-N 2 1 292.854 3.487 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400505325 799547682 /nfs/dbraw/zinc/54/76/82/799547682.db2.gz HJIQVTOWWHPJAL-TYNCELHUSA-N 2 1 266.816 3.001 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000401948712 799559302 /nfs/dbraw/zinc/55/93/02/799559302.db2.gz SUMBJEOLHJTWBY-UHFFFAOYSA-N 2 1 281.831 3.006 20 0 CGADMP Cc1ccc(C[C@H](C)[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001255796895 806756641 /nfs/dbraw/zinc/75/66/41/806756641.db2.gz MUKMBDLKXNKQHI-INIZCTEOSA-N 2 1 286.463 3.485 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[NH+]1CCCC1 ZINC000403696247 799570187 /nfs/dbraw/zinc/57/01/87/799570187.db2.gz ZRRMXOHYBSKXCX-WTXIUTQJSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CC1 ZINC000687961950 799740907 /nfs/dbraw/zinc/74/09/07/799740907.db2.gz KTYILKJUSSWOCP-UHFFFAOYSA-N 2 1 264.438 3.014 20 0 CGADMP c1c(C[N@H+]2CCC3(CCCC3)C2)sc2c1C[NH2+]CC2 ZINC000687988359 799743494 /nfs/dbraw/zinc/74/34/94/799743494.db2.gz XETXZDDBVVRIQU-UHFFFAOYSA-N 2 1 276.449 3.160 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000688809909 799756174 /nfs/dbraw/zinc/75/61/74/799756174.db2.gz SLSKZGIHBBYGCZ-QWHCGFSZSA-N 2 1 260.372 3.014 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879494 806780652 /nfs/dbraw/zinc/78/06/52/806780652.db2.gz GEIYQMJPFPARIX-OIISXLGYSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879494 806780654 /nfs/dbraw/zinc/78/06/54/806780654.db2.gz GEIYQMJPFPARIX-OIISXLGYSA-N 2 1 290.426 3.030 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879494 806780658 /nfs/dbraw/zinc/78/06/58/806780658.db2.gz GEIYQMJPFPARIX-OIISXLGYSA-N 2 1 290.426 3.030 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699305705 799858821 /nfs/dbraw/zinc/85/88/21/799858821.db2.gz PGVNAIQIOIEVOW-VHRNVKJDSA-N 2 1 278.827 3.302 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263146 799858865 /nfs/dbraw/zinc/85/88/65/799858865.db2.gz HXEOYSOYFHDYDZ-MOTUXRJWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700817570 799879457 /nfs/dbraw/zinc/87/94/57/799879457.db2.gz VQXWWLJRLUUMJN-GOEBONIOSA-N 2 1 278.415 3.078 20 0 CGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C2CCCCCC2)CC1 ZINC001255892106 806784610 /nfs/dbraw/zinc/78/46/10/806784610.db2.gz CVRXLRDTJGFZOE-SFHVURJKSA-N 2 1 294.483 3.284 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001255939756 806789428 /nfs/dbraw/zinc/78/94/28/806789428.db2.gz JFDQMFYOVHVKEP-CYBMUJFWSA-N 2 1 252.377 3.036 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001255944410 806791459 /nfs/dbraw/zinc/79/14/59/806791459.db2.gz WCUHAHZBHJFYNN-AWEZNQCLSA-N 2 1 266.404 3.344 20 0 CGADMP CS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000707278175 799977025 /nfs/dbraw/zinc/97/70/25/799977025.db2.gz FKXKYSJBSJGHPA-JKSUJKDBSA-N 2 1 290.476 3.048 20 0 CGADMP C[C@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708554308 799992735 /nfs/dbraw/zinc/99/27/35/799992735.db2.gz XHFQZNHWLMHDLJ-MVJTYMMSSA-N 2 1 272.436 3.143 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708848595 799996342 /nfs/dbraw/zinc/99/63/42/799996342.db2.gz FZYUHGDTKXQEBN-GVDBMIGSSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952363 806795841 /nfs/dbraw/zinc/79/58/41/806795841.db2.gz MGWCMOVVMHCUNQ-KZNAEPCWSA-N 3 1 297.531 3.335 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCc2sccc21 ZINC001255954435 806797008 /nfs/dbraw/zinc/79/70/08/806797008.db2.gz DLKREYQODKPHBK-OCCSQVGLSA-N 2 1 266.454 3.445 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCOc1ccccc1Cl ZINC000710836232 800040657 /nfs/dbraw/zinc/04/06/57/800040657.db2.gz GAYAYASINUHYFE-UHFFFAOYSA-N 2 1 284.831 3.170 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@](C)(F)CC1 ZINC001255957190 806797947 /nfs/dbraw/zinc/79/79/47/806797947.db2.gz PDGRQYIHGJDRKH-GJZGRUSLSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001255961542 806799636 /nfs/dbraw/zinc/79/96/36/806799636.db2.gz NSUIOHUCEBTXIU-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001255961542 806799641 /nfs/dbraw/zinc/79/96/41/806799641.db2.gz NSUIOHUCEBTXIU-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP CCC1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC000714959680 800129260 /nfs/dbraw/zinc/12/92/60/800129260.db2.gz HCCOCDPNNUIACT-KNIAUWFNSA-N 2 1 250.430 3.029 20 0 CGADMP CCC1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC000714959680 800129264 /nfs/dbraw/zinc/12/92/64/800129264.db2.gz HCCOCDPNNUIACT-KNIAUWFNSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC001256070968 806811122 /nfs/dbraw/zinc/81/11/22/806811122.db2.gz JOKRWKXUQIOYAS-QGZVFWFLSA-N 2 1 273.424 3.139 20 0 CGADMP CO[C@H]1CCC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000718800406 800223836 /nfs/dbraw/zinc/22/38/36/800223836.db2.gz LTHRZCRGPPNQTN-HOTGVXAUSA-N 2 1 270.461 3.043 20 0 CGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1(C)CCCC1 ZINC000720339002 800255923 /nfs/dbraw/zinc/25/59/23/800255923.db2.gz FWIIJOQMGWBDEN-UHFFFAOYSA-N 2 1 258.409 3.097 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC000720806182 800267555 /nfs/dbraw/zinc/26/75/55/800267555.db2.gz PERFDWAWISKQGI-OLZOCXBDSA-N 2 1 278.362 3.026 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C[C@H]1C ZINC000721500326 800290655 /nfs/dbraw/zinc/29/06/55/800290655.db2.gz DNQSAROKAPTPRH-KJWYOANISA-N 2 1 272.436 3.197 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C[C@H]1C ZINC000721500326 800290657 /nfs/dbraw/zinc/29/06/57/800290657.db2.gz DNQSAROKAPTPRH-KJWYOANISA-N 2 1 272.436 3.197 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2Cc3ccccc3C[C@@H]2CN)C1 ZINC000721525991 800292209 /nfs/dbraw/zinc/29/22/09/800292209.db2.gz TXMJICJAWQJPSX-IAGOWNOFSA-N 2 1 272.436 3.341 20 0 CGADMP CC1(C)CCC[C@@H]([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C1 ZINC000721525991 800292213 /nfs/dbraw/zinc/29/22/13/800292213.db2.gz TXMJICJAWQJPSX-IAGOWNOFSA-N 2 1 272.436 3.341 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1Cl ZINC000821988430 800458972 /nfs/dbraw/zinc/45/89/72/800458972.db2.gz IULFWBUYCPWQKP-SDDRHHMPSA-N 2 1 252.789 3.131 20 0 CGADMP COc1cccc(C[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001256164870 806839967 /nfs/dbraw/zinc/83/99/67/806839967.db2.gz OLFVAUIUSNPGFE-INIZCTEOSA-N 2 1 290.451 3.044 20 0 CGADMP C[NH+]1CCC([NH2+]CC2(Cc3ccccc3Cl)CC2)CC1 ZINC001256199634 806847222 /nfs/dbraw/zinc/84/72/22/806847222.db2.gz STXZEFTVNJROQN-UHFFFAOYSA-N 2 1 292.854 3.347 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2C2CCN(C)CC2)c1 ZINC001256207870 806848477 /nfs/dbraw/zinc/84/84/77/806848477.db2.gz XDEDWKLQZCNDAZ-SFHVURJKSA-N 2 1 288.435 3.316 20 0 CGADMP CN1CCC([N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001256207544 806849174 /nfs/dbraw/zinc/84/91/74/806849174.db2.gz MGBPIGMPBZEDLQ-INIZCTEOSA-N 2 1 262.372 3.057 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519858 806909017 /nfs/dbraw/zinc/90/90/17/806909017.db2.gz FJDXUGDUIBPVGU-HOCLYGCPSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256519858 806909021 /nfs/dbraw/zinc/90/90/21/806909021.db2.gz FJDXUGDUIBPVGU-HOCLYGCPSA-N 2 1 258.409 3.182 20 0 CGADMP Cc1c(F)cccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256561928 806916244 /nfs/dbraw/zinc/91/62/44/806916244.db2.gz KHYFVEYBYAMGND-UHFFFAOYSA-N 2 1 278.415 3.487 20 0 CGADMP Cc1cc2c(cn1)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256566159 806918088 /nfs/dbraw/zinc/91/80/88/806918088.db2.gz QJHNFFOOCJALCG-QGZVFWFLSA-N 2 1 287.451 3.230 20 0 CGADMP C[C@H]1CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC001256573761 806918807 /nfs/dbraw/zinc/91/88/07/806918807.db2.gz NNERJBVFUOXNEC-KBPBESRZSA-N 2 1 252.446 3.370 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001256571103 806919078 /nfs/dbraw/zinc/91/90/78/806919078.db2.gz CGVNBPZPVVJJJC-INIZCTEOSA-N 2 1 287.451 3.134 20 0 CGADMP C[N@H+](Cc1ccsc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573047 806919245 /nfs/dbraw/zinc/91/92/45/806919245.db2.gz BIZPRYIESLHYEL-UHFFFAOYSA-N 2 1 266.454 3.443 20 0 CGADMP C[N@@H+](Cc1ccsc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573047 806919247 /nfs/dbraw/zinc/91/92/47/806919247.db2.gz BIZPRYIESLHYEL-UHFFFAOYSA-N 2 1 266.454 3.443 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001256572870 806919568 /nfs/dbraw/zinc/91/95/68/806919568.db2.gz ZLTSIZHOKUQOQD-QGZVFWFLSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001256572870 806919573 /nfs/dbraw/zinc/91/95/73/806919573.db2.gz ZLTSIZHOKUQOQD-QGZVFWFLSA-N 2 1 287.451 3.481 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256574505 806921079 /nfs/dbraw/zinc/92/10/79/806921079.db2.gz ATFSCIMEQPEUSQ-HNNXBMFYSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncccc1C ZINC001256614823 806926241 /nfs/dbraw/zinc/92/62/41/806926241.db2.gz JYSJKXKCPZFKLP-WTXIUTQJSA-N 2 1 273.424 3.056 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001256614823 806926247 /nfs/dbraw/zinc/92/62/47/806926247.db2.gz JYSJKXKCPZFKLP-WTXIUTQJSA-N 2 1 273.424 3.056 20 0 CGADMP CCC[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256627352 806930988 /nfs/dbraw/zinc/93/09/88/806930988.db2.gz GAHXTAPIMAYXFI-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256627352 806930992 /nfs/dbraw/zinc/93/09/92/806930992.db2.gz GAHXTAPIMAYXFI-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256627352 806930994 /nfs/dbraw/zinc/93/09/94/806930994.db2.gz GAHXTAPIMAYXFI-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256627352 806930997 /nfs/dbraw/zinc/93/09/97/806930997.db2.gz GAHXTAPIMAYXFI-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001256628665 806931928 /nfs/dbraw/zinc/93/19/28/806931928.db2.gz NIPAJVMDSHSRFC-KTFSGNIMSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001256628665 806931933 /nfs/dbraw/zinc/93/19/33/806931933.db2.gz NIPAJVMDSHSRFC-KTFSGNIMSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccc([C@@H](C)[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256628665 806931938 /nfs/dbraw/zinc/93/19/38/806931938.db2.gz NIPAJVMDSHSRFC-KTFSGNIMSA-N 2 1 288.435 3.313 20 0 CGADMP Cc1cccc2cc[nH+]c(N3C[C@H](C[NH3+])CC[C@@H]3C)c12 ZINC001164474794 806951171 /nfs/dbraw/zinc/95/11/71/806951171.db2.gz VOCQFPRBNHKXHT-KBPBESRZSA-N 2 1 269.392 3.107 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC001116288247 802323359 /nfs/dbraw/zinc/32/33/59/802323359.db2.gz GEPBBEXZCZMPPA-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC001116288247 802323363 /nfs/dbraw/zinc/32/33/63/802323363.db2.gz GEPBBEXZCZMPPA-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001116293631 802325490 /nfs/dbraw/zinc/32/54/90/802325490.db2.gz VTLBJPHHXLRZBJ-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC001116509744 802368479 /nfs/dbraw/zinc/36/84/79/802368479.db2.gz ASMJAJFDFYOABQ-KRWDZBQOSA-N 2 1 292.442 3.326 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001117745832 802485423 /nfs/dbraw/zinc/48/54/23/802485423.db2.gz XWRHIRBRWCJPKX-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001117745832 802485433 /nfs/dbraw/zinc/48/54/33/802485433.db2.gz XWRHIRBRWCJPKX-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001117745832 802485437 /nfs/dbraw/zinc/48/54/37/802485437.db2.gz XWRHIRBRWCJPKX-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001117745832 802485440 /nfs/dbraw/zinc/48/54/40/802485440.db2.gz XWRHIRBRWCJPKX-ZWKOTPCHSA-N 2 1 288.410 3.231 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC001118122055 802526725 /nfs/dbraw/zinc/52/67/25/802526725.db2.gz NSJUKKXSHYWCBS-CYBMUJFWSA-N 2 1 266.454 3.447 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC001119745915 802696683 /nfs/dbraw/zinc/69/66/83/802696683.db2.gz JTVWNMZBXGULAB-QGZVFWFLSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001119938733 802710652 /nfs/dbraw/zinc/71/06/52/802710652.db2.gz MELSXDYSAXINCA-UHFFFAOYSA-N 2 1 278.827 3.040 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C(C)(C)C ZINC001256897230 807002197 /nfs/dbraw/zinc/00/21/97/807002197.db2.gz HJXCFDIMFISOKH-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C(C)(C)C ZINC001256897230 807002202 /nfs/dbraw/zinc/00/22/02/807002202.db2.gz HJXCFDIMFISOKH-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201499115 811869759 /nfs/dbraw/zinc/86/97/59/811869759.db2.gz FQOKHAGAACCHMY-YESZJQIVSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201499115 811869766 /nfs/dbraw/zinc/86/97/66/811869766.db2.gz FQOKHAGAACCHMY-YESZJQIVSA-N 2 1 264.457 3.252 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201499115 811869774 /nfs/dbraw/zinc/86/97/74/811869774.db2.gz FQOKHAGAACCHMY-YESZJQIVSA-N 2 1 264.457 3.252 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205136295 812882585 /nfs/dbraw/zinc/88/25/85/812882585.db2.gz WNLIKNDTXCGQNX-DOTOQJQBSA-N 2 1 290.451 3.282 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206014516 813166768 /nfs/dbraw/zinc/16/67/68/813166768.db2.gz XEANSGKCKRRRIL-TZMCWYRMSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206808699 813442854 /nfs/dbraw/zinc/44/28/54/813442854.db2.gz KBGXSGCYXJSOKM-OLZOCXBDSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206808699 813442857 /nfs/dbraw/zinc/44/28/57/813442857.db2.gz KBGXSGCYXJSOKM-OLZOCXBDSA-N 2 1 296.842 3.298 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001206809384 813443622 /nfs/dbraw/zinc/44/36/22/813443622.db2.gz LNZQUAMOVURCJE-GOEBONIOSA-N 2 1 290.451 3.423 20 0 CGADMP C[NH+](C)CC1(C[N@H+](C)Cc2ccsc2)CCCC1 ZINC001208186486 813735387 /nfs/dbraw/zinc/73/53/87/813735387.db2.gz RTWSKHIHQCONCK-UHFFFAOYSA-N 2 1 266.454 3.302 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)Cc2ccsc2)CCCC1 ZINC001208186486 813735390 /nfs/dbraw/zinc/73/53/90/813735390.db2.gz RTWSKHIHQCONCK-UHFFFAOYSA-N 2 1 266.454 3.302 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](Cc3ccc(F)c(F)c3F)C2)CC1 ZINC001137940361 803805761 /nfs/dbraw/zinc/80/57/61/803805761.db2.gz UJZCJUZXEPFOJU-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)CC1 ZINC001137940361 803805767 /nfs/dbraw/zinc/80/57/67/803805767.db2.gz UJZCJUZXEPFOJU-UHFFFAOYSA-N 2 1 298.352 3.022 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001138119453 803860503 /nfs/dbraw/zinc/86/05/03/803860503.db2.gz DBEPTWFANFRPEF-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP CCc1cccc2c(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c[nH]c21 ZINC001138359901 803902916 /nfs/dbraw/zinc/90/29/16/803902916.db2.gz AUIAWCAGSKRTNT-WBVHZDCISA-N 2 1 297.446 3.114 20 0 CGADMP CCc1cccc2c(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)c[nH]c21 ZINC001138359901 803902922 /nfs/dbraw/zinc/90/29/22/803902922.db2.gz AUIAWCAGSKRTNT-WBVHZDCISA-N 2 1 297.446 3.114 20 0 CGADMP CCc1cccc2c(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)c[nH]c21 ZINC001138359901 803902929 /nfs/dbraw/zinc/90/29/29/803902929.db2.gz AUIAWCAGSKRTNT-WBVHZDCISA-N 2 1 297.446 3.114 20 0 CGADMP CO[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138549071 803963704 /nfs/dbraw/zinc/96/37/04/803963704.db2.gz QANVOKGVLYHXJC-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138549071 803963709 /nfs/dbraw/zinc/96/37/09/803963709.db2.gz QANVOKGVLYHXJC-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc21 ZINC001139123973 804131373 /nfs/dbraw/zinc/13/13/73/804131373.db2.gz GUTVTKINMXPEDY-IBGZPJMESA-N 2 1 297.446 3.189 20 0 CGADMP CCn1ccc2ccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc21 ZINC001139123973 804131378 /nfs/dbraw/zinc/13/13/78/804131378.db2.gz GUTVTKINMXPEDY-IBGZPJMESA-N 2 1 297.446 3.189 20 0 CGADMP CCn1ccc2ccc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc21 ZINC001139123973 804131386 /nfs/dbraw/zinc/13/13/86/804131386.db2.gz GUTVTKINMXPEDY-IBGZPJMESA-N 2 1 297.446 3.189 20 0 CGADMP CCCCC[C@@H](CC)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113191 804144908 /nfs/dbraw/zinc/14/49/08/804144908.db2.gz NJKCWYQZNBYBIT-CABCVRRESA-N 2 1 258.425 3.417 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113853 804145109 /nfs/dbraw/zinc/14/51/09/804145109.db2.gz OBTDFZBGUDABBW-XJKSGUPXSA-N 2 1 298.833 3.342 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2cccnc2c1 ZINC001139171331 804150368 /nfs/dbraw/zinc/15/03/68/804150368.db2.gz RVMFPBQWHAFMQP-UHFFFAOYSA-N 2 1 271.408 3.008 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246159949 804176104 /nfs/dbraw/zinc/17/61/04/804176104.db2.gz LPRIHQYIEORHHC-ZJPYXAASSA-N 2 1 296.499 3.338 20 0 CGADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246160247 804177945 /nfs/dbraw/zinc/17/79/45/804177945.db2.gz DLTYHGUWNMCVMS-QGZVFWFLSA-N 2 1 295.515 3.153 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)C[NH2+]1 ZINC001246163275 804180402 /nfs/dbraw/zinc/18/04/02/804180402.db2.gz LOBOKNKCGVPNJG-DNVCBOLYSA-N 2 1 280.415 3.236 20 0 CGADMP CC[C@H]1CC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C[C@H](CC)[NH2+]1 ZINC001246186045 804196550 /nfs/dbraw/zinc/19/65/50/804196550.db2.gz HIDSADOKKQDJER-GJZGRUSLSA-N 3 1 295.515 3.276 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246192037 804200474 /nfs/dbraw/zinc/20/04/74/804200474.db2.gz YBCXDQJCIUFJIS-DLBZAZTESA-N 2 1 260.425 3.130 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246218736 804212966 /nfs/dbraw/zinc/21/29/66/804212966.db2.gz CRXDOIYUWWMOOW-MJBXVCDLSA-N 2 1 276.415 3.426 20 0 CGADMP CC(C)CC[C@H](C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246220447 804214371 /nfs/dbraw/zinc/21/43/71/804214371.db2.gz JRYDAAFYFFUHTO-STQMWFEESA-N 2 1 262.388 3.036 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)C1 ZINC001246221861 804216596 /nfs/dbraw/zinc/21/65/96/804216596.db2.gz OTRXTXIGRGMFEK-OCCSQVGLSA-N 2 1 274.399 3.180 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246228806 804221765 /nfs/dbraw/zinc/22/17/65/804221765.db2.gz JKVHPEATQUYBER-KBPBESRZSA-N 2 1 276.415 3.426 20 0 CGADMP CCCCCC(CCCCC)[NH2+]C[C@H]([NH3+])COC ZINC001246240441 804232342 /nfs/dbraw/zinc/23/23/42/804232342.db2.gz NEBFBASIQMDLAE-AWEZNQCLSA-N 2 1 258.450 3.079 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC001246239363 804232571 /nfs/dbraw/zinc/23/25/71/804232571.db2.gz NAYIQMUVUIAJHO-WFASDCNBSA-N 2 1 278.827 3.102 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1)c1ccccc1F ZINC001246263693 804244160 /nfs/dbraw/zinc/24/41/60/804244160.db2.gz KTRFLKKGEAJCKM-MKBNYLNASA-N 2 1 264.388 3.395 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CN1 ZINC001246264258 804245160 /nfs/dbraw/zinc/24/51/60/804245160.db2.gz HWCMPXANGZTSGO-YGRLFVJLSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC001246264258 804245165 /nfs/dbraw/zinc/24/51/65/804245165.db2.gz HWCMPXANGZTSGO-YGRLFVJLSA-N 2 1 287.234 3.266 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246266560 804245464 /nfs/dbraw/zinc/24/54/64/804245464.db2.gz XTGYVYBWUVXUIY-LYRGGWFBSA-N 2 1 282.378 3.392 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246265103 804245626 /nfs/dbraw/zinc/24/56/26/804245626.db2.gz IAVOHHNKCQQPGL-DOTOQJQBSA-N 2 1 262.441 3.361 20 0 CGADMP CC[NH2+]CC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246275299 804251671 /nfs/dbraw/zinc/25/16/71/804251671.db2.gz RJVNVNUKCJHMHR-UHFFFAOYSA-N 2 1 272.436 3.012 20 0 CGADMP Cc1cc(O)cc(C)c1CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001139715830 804265840 /nfs/dbraw/zinc/26/58/40/804265840.db2.gz OCGIKPGMMDIRFB-UHFFFAOYSA-N 2 1 288.435 3.068 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(C)c(C)c1 ZINC001246309797 804270727 /nfs/dbraw/zinc/27/07/27/804270727.db2.gz XUMMTOWFEKCMKN-DJIMGWMZSA-N 2 1 260.425 3.485 20 0 CGADMP CCCCCCOC(=O)CCCCC[NH2+][C@@H]1C[NH2+][C@@H](C)C1 ZINC001246342491 804294263 /nfs/dbraw/zinc/29/42/63/804294263.db2.gz PNJRRCSSQOAKSZ-HOTGVXAUSA-N 2 1 298.471 3.010 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246349795 804299463 /nfs/dbraw/zinc/29/94/63/804299463.db2.gz CJFFUEHUELMXRD-MRXNPFEDSA-N 2 1 260.425 3.259 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246356701 804300755 /nfs/dbraw/zinc/30/07/55/804300755.db2.gz PJJILUFVMIJHDT-JKIFEVAISA-N 2 1 273.424 3.054 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](COC)c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246356504 804301740 /nfs/dbraw/zinc/30/17/40/804301740.db2.gz SZQFGNXIQYGUEE-MLHJIOFPSA-N 2 1 290.451 3.273 20 0 CGADMP CCc1cc2c(cc1CC)CC([NH2+][C@H]1CCCC[NH2+]C1)C2 ZINC001246379518 804314695 /nfs/dbraw/zinc/31/46/95/804314695.db2.gz PPKFGMYSOXVARL-SFHVURJKSA-N 2 1 286.463 3.010 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC001246383981 804315946 /nfs/dbraw/zinc/31/59/46/804315946.db2.gz NBUIAASIPGIXSW-HIFRSBDPSA-N 2 1 292.854 3.393 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(C)ccc1C ZINC001246477516 804353981 /nfs/dbraw/zinc/35/39/81/804353981.db2.gz YVKDICYDLXEEGE-DOTOQJQBSA-N 2 1 260.425 3.486 20 0 CGADMP C[C@@H]1CC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)C[C@@H](C)[NH2+]1 ZINC001246495795 804360187 /nfs/dbraw/zinc/36/01/87/804360187.db2.gz BFEVORHSZVOAKN-AGKHESDQSA-N 2 1 294.389 3.461 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246495695 804361093 /nfs/dbraw/zinc/36/10/93/804361093.db2.gz ASYBGQWSYZWYKI-NSODJVPESA-N 2 1 280.362 3.072 20 0 CGADMP CC1(C)C[C@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246500937 804361693 /nfs/dbraw/zinc/36/16/93/804361693.db2.gz QOPNBQQZJSOBTB-WBMJQRKESA-N 2 1 294.389 3.462 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246518997 804371655 /nfs/dbraw/zinc/37/16/55/804371655.db2.gz KSAYGGDGKHYRPA-FVQHAEBGSA-N 2 1 272.436 3.285 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)C)CC[NH2+]1 ZINC001246520660 804373831 /nfs/dbraw/zinc/37/38/31/804373831.db2.gz USSUAZGNVCHSKX-SJORKVTESA-N 2 1 260.425 3.428 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246519675 804374448 /nfs/dbraw/zinc/37/44/48/804374448.db2.gz PILXSQJVEUYHJF-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP CCC[N@@H+](CC)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246521223 804376002 /nfs/dbraw/zinc/37/60/02/804376002.db2.gz NJOBMWGRUFWSOL-DLBZAZTESA-N 2 1 260.425 3.082 20 0 CGADMP CCC[N@@H+](CC1CC1)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246531072 804384393 /nfs/dbraw/zinc/38/43/93/804384393.db2.gz MLPJZSZSDSEBNW-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246536629 804386036 /nfs/dbraw/zinc/38/60/36/804386036.db2.gz VPVCDMPFYUROCO-HOTGVXAUSA-N 2 1 270.461 3.175 20 0 CGADMP c1ccc([C@H]2CCCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246546615 804396078 /nfs/dbraw/zinc/39/60/78/804396078.db2.gz AUAOCOJMKFUYBN-UJJTZGENSA-N 2 1 270.420 3.497 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246548989 804399147 /nfs/dbraw/zinc/39/91/47/804399147.db2.gz ORVJIOMUZHXWDO-HIFRSBDPSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246549478 804399288 /nfs/dbraw/zinc/39/92/88/804399288.db2.gz GZOBAWZNZUXYFS-VNHYZAJKSA-N 2 1 280.843 3.188 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](C(C)C)C1)CC2 ZINC001246551290 804400474 /nfs/dbraw/zinc/40/04/74/804400474.db2.gz XSKUNAJFSHWFLE-ROUUACIJSA-N 2 1 272.436 3.130 20 0 CGADMP CC1(C)CCC[N@H+]1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246549971 804401242 /nfs/dbraw/zinc/40/12/42/804401242.db2.gz MVGXJPZZCZTXJZ-IRXDYDNUSA-N 2 1 272.436 3.224 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](C(C)C)C1)CC2 ZINC001246551284 804401403 /nfs/dbraw/zinc/40/14/03/804401403.db2.gz XSKUNAJFSHWFLE-MSOLQXFVSA-N 2 1 272.436 3.130 20 0 CGADMP C[C@@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246554592 804403794 /nfs/dbraw/zinc/40/37/94/804403794.db2.gz BOTZUMUYHQLING-KLAILNCOSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H]1CC[N@H+](C2CCc3ccccc3CC2)CC[C@H]1C[NH3+] ZINC001246556564 804406645 /nfs/dbraw/zinc/40/66/45/804406645.db2.gz HVRCTAMOEQQETN-YJBOKZPZSA-N 2 1 286.463 3.241 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC(C)(C)CC2)CC[C@H]1C[NH3+] ZINC001246559296 804407835 /nfs/dbraw/zinc/40/78/35/804407835.db2.gz PDNJAYZKZBFBMQ-KBPBESRZSA-N 2 1 252.446 3.262 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246561800 804410345 /nfs/dbraw/zinc/41/03/45/804410345.db2.gz GIDAEVJDSWWZAQ-BHYGNILZSA-N 2 1 260.425 3.067 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246562694 804412349 /nfs/dbraw/zinc/41/23/49/804412349.db2.gz YVYSOCAYLRXYBR-JWTNVVGKSA-N 2 1 270.420 3.204 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246565150 804413622 /nfs/dbraw/zinc/41/36/22/804413622.db2.gz OQGAXFABQRQSTH-BPQIPLTHSA-N 2 1 274.452 3.457 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246563811 804414056 /nfs/dbraw/zinc/41/40/56/804414056.db2.gz UCGDUSDPDOWBLQ-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP C[C@H]1CCCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246564027 804414330 /nfs/dbraw/zinc/41/43/30/804414330.db2.gz YNNNFLZDTXIPRF-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(-c2nccs2)c1 ZINC001140335403 804415935 /nfs/dbraw/zinc/41/59/35/804415935.db2.gz CVNKYXBUBIIPTO-UHFFFAOYSA-N 2 1 289.448 3.194 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-c2nccs2)c1 ZINC001140335403 804415938 /nfs/dbraw/zinc/41/59/38/804415938.db2.gz CVNKYXBUBIIPTO-UHFFFAOYSA-N 2 1 289.448 3.194 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC[C@@H]1C[NH3+] ZINC001246571715 804418709 /nfs/dbraw/zinc/41/87/09/804418709.db2.gz WVZUDPTWNWUHFC-AAVRWANBSA-N 2 1 292.389 3.414 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246571433 804418728 /nfs/dbraw/zinc/41/87/28/804418728.db2.gz SBFIPXKFCZZGCF-ILXRZTDVSA-N 2 1 258.425 3.353 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246571433 804418731 /nfs/dbraw/zinc/41/87/31/804418731.db2.gz SBFIPXKFCZZGCF-ILXRZTDVSA-N 2 1 258.425 3.353 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246573470 804420179 /nfs/dbraw/zinc/42/01/79/804420179.db2.gz CVQADSRFIQOQFM-OCCSQVGLSA-N 2 1 276.465 3.060 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246573470 804420175 /nfs/dbraw/zinc/42/01/75/804420175.db2.gz CVQADSRFIQOQFM-OCCSQVGLSA-N 2 1 276.465 3.060 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC(C)(C)C1 ZINC001246579855 804423884 /nfs/dbraw/zinc/42/38/84/804423884.db2.gz LYMHNHUBSMWFLN-IIAWOOMASA-N 2 1 270.436 3.354 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC(C)(C)C1 ZINC001246579855 804423889 /nfs/dbraw/zinc/42/38/89/804423889.db2.gz LYMHNHUBSMWFLN-IIAWOOMASA-N 2 1 270.436 3.354 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246579912 804423899 /nfs/dbraw/zinc/42/38/99/804423899.db2.gz VEKBJTUKBQJNOQ-ZBFHGGJFSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246583445 804427451 /nfs/dbraw/zinc/42/74/51/804427451.db2.gz QYUTYDRQZQMDEY-UONOGXRCSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCC3(CC3)CC2)C1 ZINC001246584453 804428251 /nfs/dbraw/zinc/42/82/51/804428251.db2.gz NBEIEDKQFCTOLY-HNNXBMFYSA-N 2 1 250.430 3.160 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246585711 804429907 /nfs/dbraw/zinc/42/99/07/804429907.db2.gz QAKIRWLEKVAOIA-DZGCQCFKSA-N 2 1 272.502 3.358 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@]34CCC[NH2+]C4)C2)cc1 ZINC001246600457 804438686 /nfs/dbraw/zinc/43/86/86/804438686.db2.gz FZUBVLYYQTYLKV-KURKYZTESA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@]34CCC[NH2+]C4)C2)cc1 ZINC001246600457 804438689 /nfs/dbraw/zinc/43/86/89/804438689.db2.gz FZUBVLYYQTYLKV-KURKYZTESA-N 2 1 270.420 3.151 20 0 CGADMP C[C@H]1C[N@H+](C2C[C@H](C)[NH2+][C@@H](C)C2)Cc2ccccc21 ZINC001246598689 804438903 /nfs/dbraw/zinc/43/89/03/804438903.db2.gz OIGIEGMGOVQVNV-IHRRRGAJSA-N 2 1 258.409 3.135 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@]34CCC[NH2+]C4)C2)cc1 ZINC001246600462 804439230 /nfs/dbraw/zinc/43/92/30/804439230.db2.gz FZUBVLYYQTYLKV-SQNIBIBYSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@]34CCC[NH2+]C4)C2)cc1 ZINC001246600462 804439237 /nfs/dbraw/zinc/43/92/37/804439237.db2.gz FZUBVLYYQTYLKV-SQNIBIBYSA-N 2 1 270.420 3.151 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)C1 ZINC001246610469 804444411 /nfs/dbraw/zinc/44/44/11/804444411.db2.gz AFWFFYJNWXNJMS-PMPSAXMXSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H](CC(C)C)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246612387 804447174 /nfs/dbraw/zinc/44/71/74/804447174.db2.gz QNTOLLZFOIZYNW-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)C2)cc1 ZINC001246613879 804448510 /nfs/dbraw/zinc/44/85/10/804448510.db2.gz ZJEYLJGIXLHPLR-QYZOEREBSA-N 2 1 284.447 3.398 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614632 804448552 /nfs/dbraw/zinc/44/85/52/804448552.db2.gz OHVWTTJLPBDMIU-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP C[C@@H]1CCC[C@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246614372 804448711 /nfs/dbraw/zinc/44/87/11/804448711.db2.gz SKDPMNBWEDPPKA-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617083 804451927 /nfs/dbraw/zinc/45/19/27/804451927.db2.gz XQKVWHUXCRHJRU-PMACEKPBSA-N 2 1 298.474 3.460 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617083 804451932 /nfs/dbraw/zinc/45/19/32/804451932.db2.gz XQKVWHUXCRHJRU-PMACEKPBSA-N 2 1 298.474 3.460 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1CC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001246618523 804452241 /nfs/dbraw/zinc/45/22/41/804452241.db2.gz GYQYDNMCHKDMOP-GOEBONIOSA-N 2 1 262.441 3.173 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246624201 804456863 /nfs/dbraw/zinc/45/68/63/804456863.db2.gz COGIQNNSERCVTR-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246625525 804457136 /nfs/dbraw/zinc/45/71/36/804457136.db2.gz WHSKDPRBDYUJJF-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@]3(C1)CCCC[NH2+]3)C2 ZINC001246627020 804458301 /nfs/dbraw/zinc/45/83/01/804458301.db2.gz VYTJGAXZNWTBQT-MJGOQNOKSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@]3(C1)CCCC[NH2+]3)C2 ZINC001246627020 804458306 /nfs/dbraw/zinc/45/83/06/804458306.db2.gz VYTJGAXZNWTBQT-MJGOQNOKSA-N 2 1 284.447 3.070 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246627855 804458988 /nfs/dbraw/zinc/45/89/88/804458988.db2.gz AOZUEHCJBNRLAL-VSZNYVQBSA-N 2 1 270.420 3.149 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629240 804460345 /nfs/dbraw/zinc/46/03/45/804460345.db2.gz YGYYBACHQSQONF-YHUYYLMFSA-N 2 1 252.446 3.131 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633551 804463879 /nfs/dbraw/zinc/46/38/79/804463879.db2.gz DVJRBCGVOWKONX-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633551 804463882 /nfs/dbraw/zinc/46/38/82/804463882.db2.gz DVJRBCGVOWKONX-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246632990 804464557 /nfs/dbraw/zinc/46/45/57/804464557.db2.gz CVRPUXIZANZPTP-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246632990 804464564 /nfs/dbraw/zinc/46/45/64/804464564.db2.gz CVRPUXIZANZPTP-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246636934 804466032 /nfs/dbraw/zinc/46/60/32/804466032.db2.gz XNEKDXRRNROLHA-FGTMMUONSA-N 2 1 272.436 3.080 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246636934 804466036 /nfs/dbraw/zinc/46/60/36/804466036.db2.gz XNEKDXRRNROLHA-FGTMMUONSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@H]1CC([N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)C[C@H](C)C1 ZINC001246639779 804467154 /nfs/dbraw/zinc/46/71/54/804467154.db2.gz QTJCVDQZBGWWBD-UMVBOHGHSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246640426 804467795 /nfs/dbraw/zinc/46/77/95/804467795.db2.gz UAXTTWTYGKCTLA-AWEZNQCLSA-N 2 1 292.854 3.347 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CC3)CC2)CC[NH2+]1 ZINC001246642148 804468596 /nfs/dbraw/zinc/46/85/96/804468596.db2.gz KUDXSZGYCRHXNR-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP C1CC12CC[NH+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246642288 804468841 /nfs/dbraw/zinc/46/88/41/804468841.db2.gz LWNJIHDJLDNGJI-HNNXBMFYSA-N 2 1 262.441 3.317 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C[C@@H](C)C1 ZINC001246641762 804469242 /nfs/dbraw/zinc/46/92/42/804469242.db2.gz FLQGRPIPABXJBQ-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2C1CCC(c2ccccc2)CC1 ZINC001246643874 804470005 /nfs/dbraw/zinc/47/00/05/804470005.db2.gz FCDXYRUKYXQYAB-UHFFFAOYSA-N 2 1 270.420 3.136 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001246644975 804472105 /nfs/dbraw/zinc/47/21/05/804472105.db2.gz ZUBBCMIZMOQXAS-HNNXBMFYSA-N 2 1 290.476 3.304 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246644230 804472579 /nfs/dbraw/zinc/47/25/79/804472579.db2.gz XSQXSLLLHDLKGR-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650010 804476719 /nfs/dbraw/zinc/47/67/19/804476719.db2.gz GACAVFYSEXJTKF-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246650010 804476722 /nfs/dbraw/zinc/47/67/22/804476722.db2.gz GACAVFYSEXJTKF-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCC3(CCCC3)CC2)CC[NH2+]1 ZINC001246657714 804482361 /nfs/dbraw/zinc/48/23/61/804482361.db2.gz PTTLSTRZTUFHCZ-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246663286 804485403 /nfs/dbraw/zinc/48/54/03/804485403.db2.gz JBPMQCWDUOXKLT-QKPAOTATSA-N 2 1 252.446 3.260 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@H](C4C[NH2+]C4)C3)CC2)cc1 ZINC001246671131 804489527 /nfs/dbraw/zinc/48/95/27/804489527.db2.gz AAKFXJHICOTTBI-FDYSRKEFSA-N 2 1 298.474 3.329 20 0 CGADMP C1CCC([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246676534 804491948 /nfs/dbraw/zinc/49/19/48/804491948.db2.gz CBFJYZZLEYFGBA-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246677969 804493211 /nfs/dbraw/zinc/49/32/11/804493211.db2.gz BCUJVMVGWWYZLM-CYBMUJFWSA-N 2 1 280.843 3.202 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246678600 804493308 /nfs/dbraw/zinc/49/33/08/804493308.db2.gz YEIXKJNCVZPCNP-CHPDAQJUSA-N 2 1 284.447 3.082 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246680134 804494811 /nfs/dbraw/zinc/49/48/11/804494811.db2.gz ILVRVNQNBKMRQK-GOSISDBHSA-N 2 1 274.452 3.329 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC001246693952 804499770 /nfs/dbraw/zinc/49/97/70/804499770.db2.gz UGUBBDZAMJKJMX-SNVBAGLBSA-N 2 1 275.223 3.423 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC001246693952 804499773 /nfs/dbraw/zinc/49/97/73/804499773.db2.gz UGUBBDZAMJKJMX-SNVBAGLBSA-N 2 1 275.223 3.423 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)CC(C)(C)C1 ZINC001246688711 804497665 /nfs/dbraw/zinc/49/76/65/804497665.db2.gz HFTXLFOKSWPOJJ-JYYAWHABSA-N 2 1 282.447 3.225 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC001246696459 804499056 /nfs/dbraw/zinc/49/90/56/804499056.db2.gz QZUHTABZSIQSHV-GOSISDBHSA-N 2 1 274.452 3.472 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246692215 804499666 /nfs/dbraw/zinc/49/96/66/804499666.db2.gz NBFNJSNSPUMTGC-VGWMRTNUSA-N 2 1 270.436 3.225 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246770309 804502278 /nfs/dbraw/zinc/50/22/78/804502278.db2.gz QAOQKQOAIMQQFT-IAGOWNOFSA-N 2 1 260.425 3.203 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246771209 804502846 /nfs/dbraw/zinc/50/28/46/804502846.db2.gz WTEPGSWMOUXQMA-BZUAXINKSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC001246774642 804504511 /nfs/dbraw/zinc/50/45/11/804504511.db2.gz GBCFVQRPYGIPGM-WMLDXEAASA-N 2 1 268.404 3.412 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246779477 804506278 /nfs/dbraw/zinc/50/62/78/804506278.db2.gz HUXWDHPWTQIVER-IRXDYDNUSA-N 2 1 260.425 3.069 20 0 CGADMP c1ccc(CCC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246779791 804507734 /nfs/dbraw/zinc/50/77/34/804507734.db2.gz JAWQCAQPRLBCAR-LJQANCHMSA-N 2 1 286.463 3.473 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2CCOC)CC[NH2+]1 ZINC001246785596 804511659 /nfs/dbraw/zinc/51/16/59/804511659.db2.gz KRMPAVFJQAPHBZ-ZACQAIPSSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2CCOC)CC[NH2+]1 ZINC001246785595 804512068 /nfs/dbraw/zinc/51/20/68/804512068.db2.gz KRMPAVFJQAPHBZ-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H]1CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)[C@H]1C ZINC001246787902 804512078 /nfs/dbraw/zinc/51/20/78/804512078.db2.gz FSOSRAOTJLTPIT-JUVOFCAFSA-N 2 1 264.457 3.419 20 0 CGADMP COc1ccc(C2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246787377 804512330 /nfs/dbraw/zinc/51/23/30/804512330.db2.gz PMYGNLKVGGAARB-QGZVFWFLSA-N 2 1 288.435 3.017 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246791072 804512928 /nfs/dbraw/zinc/51/29/28/804512928.db2.gz JEELNKAYQWBSFF-JYYAWHABSA-N 2 1 288.435 3.361 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@H]1C ZINC001246788668 804513141 /nfs/dbraw/zinc/51/31/41/804513141.db2.gz HQUULZYXMGSAKF-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001246788596 804514299 /nfs/dbraw/zinc/51/42/99/804514299.db2.gz UMVGNMVJFKUFFU-LEOMRAHMSA-N 2 1 288.435 3.060 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC001246792278 804514845 /nfs/dbraw/zinc/51/48/45/804514845.db2.gz UHYZCIULRFSFGY-QKPAOTATSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791695 804515624 /nfs/dbraw/zinc/51/56/24/804515624.db2.gz LRYLKZSXDJALFU-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246792194 804516254 /nfs/dbraw/zinc/51/62/54/804516254.db2.gz OHUJYAQWOOOSAD-KJFZJZGVSA-N 2 1 286.419 3.115 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(F)cc1 ZINC001140799378 804519109 /nfs/dbraw/zinc/51/91/09/804519109.db2.gz BJVSIOBITIENPY-UHFFFAOYSA-N 2 1 269.323 3.334 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(F)cc1 ZINC001140799378 804519114 /nfs/dbraw/zinc/51/91/14/804519114.db2.gz BJVSIOBITIENPY-UHFFFAOYSA-N 2 1 269.323 3.334 20 0 CGADMP C[N@@H+](CC1CCC1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246803425 804522781 /nfs/dbraw/zinc/52/27/81/804522781.db2.gz JZCMFECCTBYYLI-ROUUACIJSA-N 2 1 272.436 3.082 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001246810145 804527038 /nfs/dbraw/zinc/52/70/38/804527038.db2.gz YGNYVILPJHDWTQ-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[C@H](C)C1 ZINC001246809850 804527655 /nfs/dbraw/zinc/52/76/55/804527655.db2.gz LDNKMQXAGKSOFD-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246814833 804531386 /nfs/dbraw/zinc/53/13/86/804531386.db2.gz SKPAXTABICILCL-LSDHHAIUSA-N 2 1 266.454 3.491 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246814833 804531389 /nfs/dbraw/zinc/53/13/89/804531389.db2.gz SKPAXTABICILCL-LSDHHAIUSA-N 2 1 266.454 3.491 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246825587 804539485 /nfs/dbraw/zinc/53/94/85/804539485.db2.gz VVIHICFFAPZNNZ-IAGOWNOFSA-N 2 1 292.442 3.467 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001246833203 804542027 /nfs/dbraw/zinc/54/20/27/804542027.db2.gz NAQTZEFNIJNYNM-CABCVRRESA-N 2 1 278.465 3.289 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246833819 804542504 /nfs/dbraw/zinc/54/25/04/804542504.db2.gz HARSHQWJZQIOTG-QLFBSQMISA-N 2 1 258.425 3.497 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246841877 804550091 /nfs/dbraw/zinc/55/00/91/804550091.db2.gz PHHVPFNXLFLUDB-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246841993 804550770 /nfs/dbraw/zinc/55/07/70/804550770.db2.gz SGVLNNWHUBMLEI-RYTJFDOTSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246843418 804552054 /nfs/dbraw/zinc/55/20/54/804552054.db2.gz CHWHOGDUFKCHFH-BBWFWOEESA-N 2 1 272.436 3.458 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246843418 804552058 /nfs/dbraw/zinc/55/20/58/804552058.db2.gz CHWHOGDUFKCHFH-BBWFWOEESA-N 2 1 272.436 3.458 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@@H]1CCC[C@H](c3ccccc3)C1)C2 ZINC001246843856 804552197 /nfs/dbraw/zinc/55/21/97/804552197.db2.gz WXLUKOAOOSYGCD-QTMHVTGLSA-N 2 1 284.447 3.382 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246848794 804558539 /nfs/dbraw/zinc/55/85/39/804558539.db2.gz ODZUUZVJVCAQAQ-UONOGXRCSA-N 2 1 296.455 3.238 20 0 CGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246849034 804559434 /nfs/dbraw/zinc/55/94/34/804559434.db2.gz YTBFOSHJNZSTOY-MDMSPXHWSA-N 2 1 294.483 3.248 20 0 CGADMP C1[C@@H]2CC[NH2+]C[C@@H]2C[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849315 804559916 /nfs/dbraw/zinc/55/99/16/804559916.db2.gz ZPWFZAZVRSCURZ-JKSUJKDBSA-N 2 1 276.468 3.421 20 0 CGADMP c1ccc(C2CCC([N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246849236 804560398 /nfs/dbraw/zinc/56/03/98/804560398.db2.gz ZCVQAWAABWKEHR-IAFLDTSXSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC[NH2+]1 ZINC001246857021 804563847 /nfs/dbraw/zinc/56/38/47/804563847.db2.gz YXMTWCWLRNSTSP-PMPSAXMXSA-N 2 1 282.447 3.367 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]1 ZINC001246875071 804575023 /nfs/dbraw/zinc/57/50/23/804575023.db2.gz MBANTTAQUSJAGS-IAQYHMDHSA-N 2 1 298.352 3.204 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]1 ZINC001246875071 804575027 /nfs/dbraw/zinc/57/50/27/804575027.db2.gz MBANTTAQUSJAGS-IAQYHMDHSA-N 2 1 298.352 3.204 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246881064 804578716 /nfs/dbraw/zinc/57/87/16/804578716.db2.gz GOZKTEZILKIQNZ-SSHXOBKSSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246887209 804581225 /nfs/dbraw/zinc/58/12/25/804581225.db2.gz KEHYYVMXNPYYIC-SOUVJXGZSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246891953 804583380 /nfs/dbraw/zinc/58/33/80/804583380.db2.gz YUXLYCPSOPXUDB-CGZBRXJRSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246894879 804584694 /nfs/dbraw/zinc/58/46/94/804584694.db2.gz QQWBSWJCJSOAKF-SFHVURJKSA-N 2 1 280.415 3.414 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001246893987 804585468 /nfs/dbraw/zinc/58/54/68/804585468.db2.gz MILXIXXGEGJBFJ-AWEZNQCLSA-N 2 1 256.393 3.270 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246896313 804586328 /nfs/dbraw/zinc/58/63/28/804586328.db2.gz WQEBUMMYNNXPCW-REPLKXPHSA-N 2 1 280.415 3.270 20 0 CGADMP CCC[N@@H+](CC(C)C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246911969 804594563 /nfs/dbraw/zinc/59/45/63/804594563.db2.gz PSYDSHVJTFLBKT-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(C[N@H+](C2CCSCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246911151 804594820 /nfs/dbraw/zinc/59/48/20/804594820.db2.gz OBXGFUCTWSGPSA-QGZVFWFLSA-N 2 1 290.476 3.136 20 0 CGADMP c1ccc(C[N@@H+](C2CCSCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246911151 804594826 /nfs/dbraw/zinc/59/48/26/804594826.db2.gz OBXGFUCTWSGPSA-QGZVFWFLSA-N 2 1 290.476 3.136 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@@H]1CN ZINC001246918094 804599501 /nfs/dbraw/zinc/59/95/01/804599501.db2.gz VBEHKBWRDHUSQP-ZIAGYGMSSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246918094 804599507 /nfs/dbraw/zinc/59/95/07/804599507.db2.gz VBEHKBWRDHUSQP-ZIAGYGMSSA-N 2 1 296.480 3.493 20 0 CGADMP C1CC2(C1)C[C@H]([N@@H+]1CC[C@H]3CCCC[C@@H]3C1)CC[NH2+]2 ZINC001246922484 804602686 /nfs/dbraw/zinc/60/26/86/804602686.db2.gz WHZPEUVRHHCURG-BZUAXINKSA-N 2 1 262.441 3.173 20 0 CGADMP C1CC2(C1)C[C@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)CC[NH2+]2 ZINC001246922484 804602689 /nfs/dbraw/zinc/60/26/89/804602689.db2.gz WHZPEUVRHHCURG-BZUAXINKSA-N 2 1 262.441 3.173 20 0 CGADMP Fc1ccc(C[N@H+](C2CCCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246933096 804606745 /nfs/dbraw/zinc/60/67/45/804606745.db2.gz GKNFROWNOKCTPX-KRWDZBQOSA-N 2 1 276.399 3.322 20 0 CGADMP Fc1ccc(C[N@@H+](C2CCCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246933096 804606748 /nfs/dbraw/zinc/60/67/48/804606748.db2.gz GKNFROWNOKCTPX-KRWDZBQOSA-N 2 1 276.399 3.322 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246933655 804607757 /nfs/dbraw/zinc/60/77/57/804607757.db2.gz ADGDYGKMZMDXGI-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246937356 804608204 /nfs/dbraw/zinc/60/82/04/804608204.db2.gz LJOLNIHVSPUSIT-HOCLYGCPSA-N 2 1 264.457 3.419 20 0 CGADMP CSCC[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246939782 804610807 /nfs/dbraw/zinc/61/08/07/804610807.db2.gz VHAQLFTYIMFMSJ-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC3(CCC3)C2)CC[NH2+]1 ZINC001246941938 804611900 /nfs/dbraw/zinc/61/19/00/804611900.db2.gz MRYLMGRVSPHQNY-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP CCCC1CCC([N@@H+](CC)C[C@H]2CC[NH2+]C2)CC1 ZINC001246941766 804612507 /nfs/dbraw/zinc/61/25/07/804612507.db2.gz LMGMIXBLGFTJEP-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001246947301 804613927 /nfs/dbraw/zinc/61/39/27/804613927.db2.gz UOJSHKZWSLEWFX-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246946331 804614355 /nfs/dbraw/zinc/61/43/55/804614355.db2.gz LLAWUBIUZFBRSM-MRXNPFEDSA-N 3 1 297.531 3.207 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246946331 804614359 /nfs/dbraw/zinc/61/43/59/804614359.db2.gz LLAWUBIUZFBRSM-MRXNPFEDSA-N 3 1 297.531 3.207 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246963323 804619760 /nfs/dbraw/zinc/61/97/60/804619760.db2.gz ABBKYROKPFMFKX-ZWKOTPCHSA-N 2 1 274.452 3.315 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246969147 804621094 /nfs/dbraw/zinc/62/10/94/804621094.db2.gz UJSZIDOFGUPIPI-IAGOWNOFSA-N 2 1 260.425 3.069 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC001246966628 804621200 /nfs/dbraw/zinc/62/12/00/804621200.db2.gz LGJGWCIMBWPIKZ-KSSFIOAISA-N 2 1 272.436 3.408 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(C)cc1 ZINC001246971398 804622764 /nfs/dbraw/zinc/62/27/64/804622764.db2.gz BAYILTNINDHJDV-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246972502 804623066 /nfs/dbraw/zinc/62/30/66/804623066.db2.gz JYQOYRBSRARPCD-KBPBESRZSA-N 2 1 284.513 3.371 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2cc(F)ccc2C1 ZINC001246978599 804625669 /nfs/dbraw/zinc/62/56/69/804625669.db2.gz WLGCYDGPQGLRQH-KDOFPFPSSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)C[C@@H]1C ZINC001246977957 804625822 /nfs/dbraw/zinc/62/58/22/804625822.db2.gz RVFYSBDTWNFKRU-JKIFEVAISA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1CC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246984559 804629254 /nfs/dbraw/zinc/62/92/54/804629254.db2.gz IZMDCVNQQHSJMC-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CSc2ccccc2C1 ZINC001246997155 804633348 /nfs/dbraw/zinc/63/33/48/804633348.db2.gz VOVFNASMBFKEPF-GOEBONIOSA-N 2 1 290.476 3.025 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccc(C)cc2C1 ZINC001246997659 804633381 /nfs/dbraw/zinc/63/33/81/804633381.db2.gz WZSNPDGLIYNABR-VQIMIIECSA-N 2 1 286.463 3.174 20 0 CGADMP C1CC2(C1)C[C@@H]([N@H+]1CCC3(C1)CCCCC3)CC[NH2+]2 ZINC001246999079 804634542 /nfs/dbraw/zinc/63/45/42/804634542.db2.gz QIVJPROYKWBVIW-HNNXBMFYSA-N 2 1 262.441 3.317 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001247002626 804635160 /nfs/dbraw/zinc/63/51/60/804635160.db2.gz NOPVKPWKNPVXIF-PBHICJAKSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001247002626 804635163 /nfs/dbraw/zinc/63/51/63/804635163.db2.gz NOPVKPWKNPVXIF-PBHICJAKSA-N 2 1 292.854 3.258 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](C)CCc1ccc(C(F)(F)F)cc1 ZINC001247003648 804635736 /nfs/dbraw/zinc/63/57/36/804635736.db2.gz XFQXNWRLIWERCN-GFCCVEGCSA-N 2 1 288.357 3.178 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC001247002172 804636159 /nfs/dbraw/zinc/63/61/59/804636159.db2.gz SBIOWFUVXSPPIM-NJAFHUGGSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC(C)(C)C1 ZINC001247012442 804639923 /nfs/dbraw/zinc/63/99/23/804639923.db2.gz DPRHRWPBXXHAPM-FXUDXRNXSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC(C)(C)C1 ZINC001247012442 804639926 /nfs/dbraw/zinc/63/99/26/804639926.db2.gz DPRHRWPBXXHAPM-FXUDXRNXSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247015252 804643753 /nfs/dbraw/zinc/64/37/53/804643753.db2.gz NQLWBJCUBVLSMJ-QXAKKESOSA-N 2 1 286.463 3.390 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247016383 804645055 /nfs/dbraw/zinc/64/50/55/804645055.db2.gz UPCFOHQFQYXCQD-HKUYNNGSSA-N 2 1 284.447 3.008 20 0 CGADMP C[N@H+](Cc1coc2ccc(F)cc12)CC1CC[NH+](C)CC1 ZINC001141852402 804673654 /nfs/dbraw/zinc/67/36/54/804673654.db2.gz BKNNHLTWTSLGFA-UHFFFAOYSA-N 2 1 290.382 3.346 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c(C)cc(OC)cc2C)CC1 ZINC001142934806 804786249 /nfs/dbraw/zinc/78/62/49/804786249.db2.gz CCYJIXBIYUBICY-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(OC)cc2C)CC1 ZINC001142934806 804786254 /nfs/dbraw/zinc/78/62/54/804786254.db2.gz CCYJIXBIYUBICY-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(F)c1F ZINC001143606479 804874304 /nfs/dbraw/zinc/87/43/04/804874304.db2.gz DNEBYGQPNWXJGW-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP Cc1cc[nH+]c(Nc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC001248403233 804929749 /nfs/dbraw/zinc/92/97/49/804929749.db2.gz HUZCUHLRBJDXRH-UHFFFAOYSA-N 2 1 285.391 3.464 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)C3CC[NH+](C)CC3)cccc2n1 ZINC001248545430 804948707 /nfs/dbraw/zinc/94/87/07/804948707.db2.gz AXKJIJKFCZKHKW-UHFFFAOYSA-N 2 1 283.419 3.069 20 0 CGADMP Cc1ccc2c(C[N@H+](C)C3CC[NH+](C)CC3)cccc2n1 ZINC001248545430 804948710 /nfs/dbraw/zinc/94/87/10/804948710.db2.gz AXKJIJKFCZKHKW-UHFFFAOYSA-N 2 1 283.419 3.069 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144252751 804961656 /nfs/dbraw/zinc/96/16/56/804961656.db2.gz WEZKSABZPGVSJA-UHFFFAOYSA-N 2 1 297.446 3.393 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144252751 804961660 /nfs/dbraw/zinc/96/16/60/804961660.db2.gz WEZKSABZPGVSJA-UHFFFAOYSA-N 2 1 297.446 3.393 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(C2CC2)cc[nH+]1 ZINC001155025358 805525095 /nfs/dbraw/zinc/52/50/95/805525095.db2.gz NNFXNFRILMIXLT-DOMZBBRYSA-N 2 1 259.397 3.007 20 0 CGADMP F[C@@]1(CNc2[nH+]ccc3ccccc32)CCCC[NH2+]C1 ZINC001155115810 805541271 /nfs/dbraw/zinc/54/12/71/805541271.db2.gz VQZHGEIERBTYBM-INIZCTEOSA-N 2 1 273.355 3.129 20 0 CGADMP c1coc(C[N@@H+](C2CC2)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001256863039 806993712 /nfs/dbraw/zinc/99/37/12/806993712.db2.gz VDXLRAQUGNSFPC-UHFFFAOYSA-N 2 1 297.402 3.308 20 0 CGADMP C[C@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC001256861838 806994214 /nfs/dbraw/zinc/99/42/14/806994214.db2.gz XFQPEMOTOXQJRU-GJZGRUSLSA-N 2 1 273.424 3.171 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ncco3)cc2)CC1 ZINC001257213224 807063441 /nfs/dbraw/zinc/06/34/41/807063441.db2.gz ICUBVBPQTKIQJR-UHFFFAOYSA-N 2 1 299.418 3.304 20 0 CGADMP CCC[C@H](CC)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001257264885 807078907 /nfs/dbraw/zinc/07/89/07/807078907.db2.gz VKBJNGXYOIMSEA-RDJZCZTQSA-N 2 1 282.472 3.140 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257295849 807090972 /nfs/dbraw/zinc/09/09/72/807090972.db2.gz CTDXHMIINOZZSL-OAHLLOKOSA-N 2 1 282.472 3.187 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](C3CCCC3)CC1)C2 ZINC001257355600 807119906 /nfs/dbraw/zinc/11/99/06/807119906.db2.gz BAPHHIWLTBCVBH-UHFFFAOYSA-N 2 1 284.447 3.452 20 0 CGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](C3CCCC3)CC1)C2 ZINC001257355600 807119910 /nfs/dbraw/zinc/11/99/10/807119910.db2.gz BAPHHIWLTBCVBH-UHFFFAOYSA-N 2 1 284.447 3.452 20 0 CGADMP CCCC[C@@H](CC)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001257412982 807143787 /nfs/dbraw/zinc/14/37/87/807143787.db2.gz PLJBMAHDFSLKMI-OAHLLOKOSA-N 3 1 285.520 3.431 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC(OC(C)C)CC1 ZINC001257870696 807232298 /nfs/dbraw/zinc/23/22/98/807232298.db2.gz RVYMUVXDFSGGOD-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(OC(C)C)CC1 ZINC001257870696 807232304 /nfs/dbraw/zinc/23/23/04/807232304.db2.gz RVYMUVXDFSGGOD-UHFFFAOYSA-N 2 1 284.488 3.434 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCNc1cccn2c[nH+]cc12 ZINC001167753106 807241824 /nfs/dbraw/zinc/24/18/24/807241824.db2.gz CTAWPHATKNNXMX-AWEZNQCLSA-N 2 1 272.396 3.011 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1cccn2c[nH+]cc12 ZINC001167753106 807241831 /nfs/dbraw/zinc/24/18/31/807241831.db2.gz CTAWPHATKNNXMX-AWEZNQCLSA-N 2 1 272.396 3.011 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001167827235 807255669 /nfs/dbraw/zinc/25/56/69/807255669.db2.gz VEASBYBRBAGXRO-DOTOQJQBSA-N 2 1 290.455 3.124 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001167824162 807255783 /nfs/dbraw/zinc/25/57/83/807255783.db2.gz CAVOCFQGIMXZHE-SJLPKXTDSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC001167837917 807259182 /nfs/dbraw/zinc/25/91/82/807259182.db2.gz NUDKTQFVTWKGBF-ZFWWWQNUSA-N 2 1 294.443 3.025 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]C2(c3ccccc3)CC2)CC1 ZINC001258002200 807262932 /nfs/dbraw/zinc/26/29/32/807262932.db2.gz AZKOWQPQUHBZEV-UHFFFAOYSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1cc(-c2ccccc2)ncc1NC(=[NH2+])SCC[NH3+] ZINC001167916564 807273643 /nfs/dbraw/zinc/27/36/43/807273643.db2.gz SSSKLXSKUJTKSZ-UHFFFAOYSA-N 2 1 286.404 3.096 20 0 CGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951820 807281819 /nfs/dbraw/zinc/28/18/19/807281819.db2.gz LLYLVBSAUFQLDB-NMLBUPMWSA-N 2 1 296.458 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951820 807281826 /nfs/dbraw/zinc/28/18/26/807281826.db2.gz LLYLVBSAUFQLDB-NMLBUPMWSA-N 2 1 296.458 3.383 20 0 CGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@H]4C[C@H]5C[C@H]5C4)C3)C2)cc1 ZINC001167951820 807281832 /nfs/dbraw/zinc/28/18/32/807281832.db2.gz LLYLVBSAUFQLDB-NMLBUPMWSA-N 2 1 296.458 3.383 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167982140 807290758 /nfs/dbraw/zinc/29/07/58/807290758.db2.gz YCRJUEKZINLUEG-YOFSQIOKSA-N 2 1 296.458 3.450 20 0 CGADMP c1ccc2c(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167982140 807290766 /nfs/dbraw/zinc/29/07/66/807290766.db2.gz YCRJUEKZINLUEG-YOFSQIOKSA-N 2 1 296.458 3.450 20 0 CGADMP C1=C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167975095 807291483 /nfs/dbraw/zinc/29/14/83/807291483.db2.gz GXDSJBIKCXPOQB-MGNMYUMUSA-N 2 1 260.425 3.090 20 0 CGADMP C[C@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258144746 807320742 /nfs/dbraw/zinc/32/07/42/807320742.db2.gz WNYZOCPVIHSTLI-INIZCTEOSA-N 2 1 272.436 3.035 20 0 CGADMP C[C@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258144746 807320750 /nfs/dbraw/zinc/32/07/50/807320750.db2.gz WNYZOCPVIHSTLI-INIZCTEOSA-N 2 1 272.436 3.035 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258170324 807337325 /nfs/dbraw/zinc/33/73/25/807337325.db2.gz JFSWIWLVXSKZRF-ZSHCYNCHSA-N 2 1 254.462 3.475 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001168324431 807383200 /nfs/dbraw/zinc/38/32/00/807383200.db2.gz OIIQCDXZJAIUQL-XNIRIUNOSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168368140 807395170 /nfs/dbraw/zinc/39/51/70/807395170.db2.gz AUYZARVANRIEBH-LJQANCHMSA-N 2 1 299.462 3.305 20 0 CGADMP C[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)CCC1(F)F ZINC001168372838 807397186 /nfs/dbraw/zinc/39/71/86/807397186.db2.gz LSMLDJYTTQQCII-CYBMUJFWSA-N 2 1 286.410 3.228 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168439445 807415976 /nfs/dbraw/zinc/41/59/76/807415976.db2.gz WKZMBHTZOYXSQU-GOSISDBHSA-N 2 1 290.426 3.099 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168439445 807415982 /nfs/dbraw/zinc/41/59/82/807415982.db2.gz WKZMBHTZOYXSQU-GOSISDBHSA-N 2 1 290.426 3.099 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)CC(C)(C)SC)CC1 ZINC001258350063 807423900 /nfs/dbraw/zinc/42/39/00/807423900.db2.gz VMBUVLCEGSQMSQ-ZDUSSCGKSA-N 2 1 272.502 3.323 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1cccc(F)c1 ZINC001168502162 807437680 /nfs/dbraw/zinc/43/76/80/807437680.db2.gz XUIIFQOCEKQPMP-OAHLLOKOSA-N 2 1 280.431 3.420 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258441863 807452934 /nfs/dbraw/zinc/45/29/34/807452934.db2.gz SYJZGVIKBQLVPP-OKZBNKHCSA-N 2 1 295.515 3.056 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H](C)CC1CC1 ZINC001258453498 807459609 /nfs/dbraw/zinc/45/96/09/807459609.db2.gz AZZBMWHERDOTRM-HUUCEWRRSA-N 2 1 260.425 3.272 20 0 CGADMP Cc1ccc[nH+]c1N([C@@H](C)CC1CC1)C1CC[NH2+]CC1 ZINC001258469725 807468047 /nfs/dbraw/zinc/46/80/47/807468047.db2.gz HNKRNNVTWKLJSC-AWEZNQCLSA-N 2 1 273.424 3.137 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001258533664 807489266 /nfs/dbraw/zinc/48/92/66/807489266.db2.gz FHJCFGNFRIRZTR-JCYILVPMSA-N 2 1 264.457 3.373 20 0 CGADMP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001168702946 807489457 /nfs/dbraw/zinc/48/94/57/807489457.db2.gz XOFTVDRJGIHSIB-CQSZACIVSA-N 2 1 290.838 3.024 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001258651250 807523090 /nfs/dbraw/zinc/52/30/90/807523090.db2.gz LSQJDSNQZGPOLV-ZWKOTPCHSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258657703 807527728 /nfs/dbraw/zinc/52/77/28/807527728.db2.gz ZOFSLVWGEHSQQR-QYZOEREBSA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258657703 807527732 /nfs/dbraw/zinc/52/77/32/807527732.db2.gz ZOFSLVWGEHSQQR-QYZOEREBSA-N 2 1 286.463 3.281 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258657703 807527736 /nfs/dbraw/zinc/52/77/36/807527736.db2.gz ZOFSLVWGEHSQQR-QYZOEREBSA-N 2 1 286.463 3.281 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C2 ZINC001169077918 807568152 /nfs/dbraw/zinc/56/81/52/807568152.db2.gz BOZGEEYORBVIEK-XYYAHUGASA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C2 ZINC001169077918 807568155 /nfs/dbraw/zinc/56/81/55/807568155.db2.gz BOZGEEYORBVIEK-XYYAHUGASA-N 2 1 282.790 3.194 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC001169091755 807572332 /nfs/dbraw/zinc/57/23/32/807572332.db2.gz UUSWFBAPFUCHNI-ZSOGYDGISA-N 2 1 294.826 3.063 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001169091755 807572336 /nfs/dbraw/zinc/57/23/36/807572336.db2.gz UUSWFBAPFUCHNI-ZSOGYDGISA-N 2 1 294.826 3.063 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095974 807574318 /nfs/dbraw/zinc/57/43/18/807574318.db2.gz TVXZAXGVTCQAOF-MXASKKJJSA-N 2 1 258.409 3.271 20 0 CGADMP Cc1ccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169098457 807575012 /nfs/dbraw/zinc/57/50/12/807575012.db2.gz IHQDYKNYFVTCBZ-BJWYYQGGSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169096917 807575070 /nfs/dbraw/zinc/57/50/70/807575070.db2.gz ZTSUHLNOGVULDS-OSYLJGHBSA-N 2 1 258.409 3.018 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099913 807575926 /nfs/dbraw/zinc/57/59/26/807575926.db2.gz WPWGBSPICNBPGO-YHUYYLMFSA-N 2 1 252.446 3.416 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1cc(F)cc3F)C2 ZINC001169100042 807575971 /nfs/dbraw/zinc/57/59/71/807575971.db2.gz FCVDQDAWJMCTNR-LKQDWFRTSA-N 2 1 292.373 3.167 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1cc(F)cc3F)C2 ZINC001169100042 807575978 /nfs/dbraw/zinc/57/59/78/807575978.db2.gz FCVDQDAWJMCTNR-LKQDWFRTSA-N 2 1 292.373 3.167 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(F)cc31)C2 ZINC001169100677 807576643 /nfs/dbraw/zinc/57/66/43/807576643.db2.gz LFKYEVPVFFKAES-IVSAIRAKSA-N 2 1 274.383 3.028 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101547 807578212 /nfs/dbraw/zinc/57/82/12/807578212.db2.gz UFIKJFKVXWAGGZ-CUSZFKRNSA-N 2 1 270.420 3.197 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCOc1ccccc1)C2 ZINC001169125036 807585015 /nfs/dbraw/zinc/58/50/15/807585015.db2.gz WJSYLYAQYWDJTC-OSYLJGHBSA-N 2 1 288.435 3.060 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001169124512 807585636 /nfs/dbraw/zinc/58/56/36/807585636.db2.gz DJAPYZDCNUWKSI-BDXSIMOUSA-N 2 1 270.420 3.101 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001169124512 807585639 /nfs/dbraw/zinc/58/56/39/807585639.db2.gz DJAPYZDCNUWKSI-BDXSIMOUSA-N 2 1 270.420 3.101 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001169124512 807585640 /nfs/dbraw/zinc/58/56/40/807585640.db2.gz DJAPYZDCNUWKSI-BDXSIMOUSA-N 2 1 270.420 3.101 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]1c1ccccc1)C2 ZINC001169147474 807592454 /nfs/dbraw/zinc/59/24/54/807592454.db2.gz UFNYIIVPDKAZNT-YVSFHVDLSA-N 2 1 256.393 3.059 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]1c1ccccc1)C2 ZINC001169147474 807592460 /nfs/dbraw/zinc/59/24/60/807592460.db2.gz UFNYIIVPDKAZNT-YVSFHVDLSA-N 2 1 256.393 3.059 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]1c1ccccc1)C2 ZINC001169147474 807592465 /nfs/dbraw/zinc/59/24/65/807592465.db2.gz UFNYIIVPDKAZNT-YVSFHVDLSA-N 2 1 256.393 3.059 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169152894 807594329 /nfs/dbraw/zinc/59/43/29/807594329.db2.gz GGWPAPUCQGDSNU-MHORFTMASA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169152894 807594334 /nfs/dbraw/zinc/59/43/34/807594334.db2.gz GGWPAPUCQGDSNU-MHORFTMASA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001169152894 807594339 /nfs/dbraw/zinc/59/43/39/807594339.db2.gz GGWPAPUCQGDSNU-MHORFTMASA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001169152894 807594342 /nfs/dbraw/zinc/59/43/42/807594342.db2.gz GGWPAPUCQGDSNU-MHORFTMASA-N 2 1 285.435 3.152 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258767856 807602719 /nfs/dbraw/zinc/60/27/19/807602719.db2.gz YFXBXVNHABYDIR-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc3ccoc3c2)CC1 ZINC001258769304 807604149 /nfs/dbraw/zinc/60/41/49/807604149.db2.gz KSLFGEVPGNHJJC-UHFFFAOYSA-N 2 1 272.392 3.397 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3sccc32)CC1 ZINC001258771132 807605502 /nfs/dbraw/zinc/60/55/02/807605502.db2.gz VYJAMSTUPQRHKW-AWEZNQCLSA-N 2 1 264.438 3.199 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2cccc(F)c2)CC1 ZINC001169241347 807613037 /nfs/dbraw/zinc/61/30/37/807613037.db2.gz VWNGUZZLKXWWCV-UHFFFAOYSA-N 2 1 278.415 3.221 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001169255892 807617117 /nfs/dbraw/zinc/61/71/17/807617117.db2.gz VPMSAAHJMALTTO-UHFFFAOYSA-N 2 1 290.426 3.489 20 0 CGADMP C[C@H]1CCC[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001258812193 807630029 /nfs/dbraw/zinc/63/00/29/807630029.db2.gz IQVMHRFEJQZXNF-NBOOPKSLSA-N 2 1 294.483 3.316 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](C)(CF)C1 ZINC001258907613 807672328 /nfs/dbraw/zinc/67/23/28/807672328.db2.gz LHZAFZXRQPEODO-GJZGRUSLSA-N 2 1 258.425 3.178 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C1 ZINC001258905346 807671408 /nfs/dbraw/zinc/67/14/08/807671408.db2.gz XXJXAFBPSIQHRI-IRXDYDNUSA-N 3 1 297.531 3.349 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C1 ZINC001258905346 807671411 /nfs/dbraw/zinc/67/14/11/807671411.db2.gz XXJXAFBPSIQHRI-IRXDYDNUSA-N 3 1 297.531 3.349 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001258909466 807672725 /nfs/dbraw/zinc/67/27/25/807672725.db2.gz DZJPGEZVPKUXEY-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001258910861 807674194 /nfs/dbraw/zinc/67/41/94/807674194.db2.gz WZNWHESPEBTJBV-SOUVJXGZSA-N 2 1 288.426 3.474 20 0 CGADMP Cn1cncc1CC[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001261297629 807734681 /nfs/dbraw/zinc/73/46/81/807734681.db2.gz INVDJJQXYQVKQO-UHFFFAOYSA-N 2 1 297.446 3.318 20 0 CGADMP CC(C)CCC[C@@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001170079954 807750447 /nfs/dbraw/zinc/75/04/47/807750447.db2.gz HGVOBHBVMPZBAK-OAHLLOKOSA-N 2 1 295.471 3.331 20 0 CGADMP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001170118190 807764058 /nfs/dbraw/zinc/76/40/58/807764058.db2.gz QBAASAZZPPEYOS-KBPBESRZSA-N 2 1 276.399 3.264 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCOCC2CC2)C1)C1CCCC1 ZINC001261890809 807798733 /nfs/dbraw/zinc/79/87/33/807798733.db2.gz POCKIOKLIPXRJH-AEFFLSMTSA-N 2 1 294.483 3.033 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2cccc(F)c2C1 ZINC001170997008 807953753 /nfs/dbraw/zinc/95/37/53/807953753.db2.gz PVPUAYXAPIGIKV-INIZCTEOSA-N 2 1 290.426 3.101 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCc2c(Cl)cccc2C1 ZINC001171014714 807960451 /nfs/dbraw/zinc/96/04/51/807960451.db2.gz VCYGDZLBZAPHPS-AWEZNQCLSA-N 2 1 280.843 3.257 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171398618 808045132 /nfs/dbraw/zinc/04/51/32/808045132.db2.gz YZHLPNBLRMAFQN-MRXNPFEDSA-N 2 1 292.442 3.395 20 0 CGADMP Cc1cc2c(cn1)C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171642779 808111585 /nfs/dbraw/zinc/11/15/85/808111585.db2.gz NBRUHOYCHIJMIZ-UHFFFAOYSA-N 2 1 287.451 3.357 20 0 CGADMP Cc1cc2c(cn1)C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171642779 808111590 /nfs/dbraw/zinc/11/15/90/808111590.db2.gz NBRUHOYCHIJMIZ-UHFFFAOYSA-N 2 1 287.451 3.357 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC001172099304 808172495 /nfs/dbraw/zinc/17/24/95/808172495.db2.gz GZQGHLXSLLSLIN-PHZGNYQRSA-N 2 1 278.827 3.445 20 0 CGADMP Cc1ccc2c(c1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172109486 808178379 /nfs/dbraw/zinc/17/83/79/808178379.db2.gz DKJGFPJHUCWARU-BWTSREIZSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172109486 808178381 /nfs/dbraw/zinc/17/83/81/808178381.db2.gz DKJGFPJHUCWARU-BWTSREIZSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172109486 808178382 /nfs/dbraw/zinc/17/83/82/808178382.db2.gz DKJGFPJHUCWARU-BWTSREIZSA-N 2 1 284.447 3.368 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)C2 ZINC001172109189 808178715 /nfs/dbraw/zinc/17/87/15/808178715.db2.gz HRRJVEIPRMVHJN-QDMKHBRRSA-N 2 1 294.389 3.112 20 0 CGADMP C[N@H+](CCc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121330 808183170 /nfs/dbraw/zinc/18/31/70/808183170.db2.gz DORVHGCJKPKJRZ-FICVDOATSA-N 2 1 278.465 3.238 20 0 CGADMP C[N@@H+](CCc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121330 808183174 /nfs/dbraw/zinc/18/31/74/808183174.db2.gz DORVHGCJKPKJRZ-FICVDOATSA-N 2 1 278.465 3.238 20 0 CGADMP C[NH+](CCc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121330 808183177 /nfs/dbraw/zinc/18/31/77/808183177.db2.gz DORVHGCJKPKJRZ-FICVDOATSA-N 2 1 278.465 3.238 20 0 CGADMP C[NH+](CCc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121330 808183180 /nfs/dbraw/zinc/18/31/80/808183180.db2.gz DORVHGCJKPKJRZ-FICVDOATSA-N 2 1 278.465 3.238 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001172121946 808183662 /nfs/dbraw/zinc/18/36/62/808183662.db2.gz NQRWALQGBJQDOV-MQYQWHSLSA-N 2 1 290.373 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001172121946 808183663 /nfs/dbraw/zinc/18/36/63/808183663.db2.gz NQRWALQGBJQDOV-MQYQWHSLSA-N 2 1 290.373 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001172121946 808183667 /nfs/dbraw/zinc/18/36/67/808183667.db2.gz NQRWALQGBJQDOV-MQYQWHSLSA-N 2 1 290.373 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001172121946 808183668 /nfs/dbraw/zinc/18/36/68/808183668.db2.gz NQRWALQGBJQDOV-MQYQWHSLSA-N 2 1 290.373 3.276 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001172126523 808185560 /nfs/dbraw/zinc/18/55/60/808185560.db2.gz WRXDMJCKWKYFTL-DGXTUMSLSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001172126523 808185562 /nfs/dbraw/zinc/18/55/62/808185562.db2.gz WRXDMJCKWKYFTL-DGXTUMSLSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001172126523 808185565 /nfs/dbraw/zinc/18/55/65/808185565.db2.gz WRXDMJCKWKYFTL-DGXTUMSLSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001172126523 808185567 /nfs/dbraw/zinc/18/55/67/808185567.db2.gz WRXDMJCKWKYFTL-DGXTUMSLSA-N 2 1 250.430 3.122 20 0 CGADMP C[N@H+](CC/C=C/c1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131226 808188102 /nfs/dbraw/zinc/18/81/02/808188102.db2.gz VHFQKLIJJSEDHD-BAESINFESA-N 2 1 299.462 3.432 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131226 808188105 /nfs/dbraw/zinc/18/81/05/808188105.db2.gz VHFQKLIJJSEDHD-BAESINFESA-N 2 1 299.462 3.432 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131226 808188108 /nfs/dbraw/zinc/18/81/08/808188108.db2.gz VHFQKLIJJSEDHD-BAESINFESA-N 2 1 299.462 3.432 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131226 808188112 /nfs/dbraw/zinc/18/81/12/808188112.db2.gz VHFQKLIJJSEDHD-BAESINFESA-N 2 1 299.462 3.432 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CSc2ccccc2C1 ZINC001172208534 808198817 /nfs/dbraw/zinc/19/88/17/808198817.db2.gz JRLNOKHPSCJHOC-MRXNPFEDSA-N 2 1 292.492 3.367 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172322091 808231502 /nfs/dbraw/zinc/23/15/02/808231502.db2.gz RQIOAXHCXLBJNB-HOTGVXAUSA-N 2 1 272.477 3.292 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172322091 808231506 /nfs/dbraw/zinc/23/15/06/808231506.db2.gz RQIOAXHCXLBJNB-HOTGVXAUSA-N 2 1 272.477 3.292 20 0 CGADMP CC[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172393393 808284221 /nfs/dbraw/zinc/28/42/21/808284221.db2.gz WJNJHAGWYYRQKW-FPCVCCKLSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172393393 808284225 /nfs/dbraw/zinc/28/42/25/808284225.db2.gz WJNJHAGWYYRQKW-FPCVCCKLSA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172463860 808333354 /nfs/dbraw/zinc/33/33/54/808333354.db2.gz UWUANPDURFOSKO-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172463860 808333364 /nfs/dbraw/zinc/33/33/64/808333364.db2.gz UWUANPDURFOSKO-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172827200 808448638 /nfs/dbraw/zinc/44/86/38/808448638.db2.gz AQZMNRAAJYQAJB-WTGUMLROSA-N 2 1 298.474 3.457 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172827200 808448641 /nfs/dbraw/zinc/44/86/41/808448641.db2.gz AQZMNRAAJYQAJB-WTGUMLROSA-N 2 1 298.474 3.457 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172860831 808466130 /nfs/dbraw/zinc/46/61/30/808466130.db2.gz HFCSQIMVGJDNFC-WFASDCNBSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+](C)C(C)(C)C[NH3+] ZINC001172881982 808474805 /nfs/dbraw/zinc/47/48/05/808474805.db2.gz KXVLGIPOWFMNPK-NSHDSACASA-N 2 1 286.872 3.490 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C)C(C)(C)C[NH3+] ZINC001172881982 808474807 /nfs/dbraw/zinc/47/48/07/808474807.db2.gz KXVLGIPOWFMNPK-NSHDSACASA-N 2 1 286.872 3.490 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001172925992 808483383 /nfs/dbraw/zinc/48/33/83/808483383.db2.gz MSONWMXUFMZYIZ-KBAYOESNSA-N 2 1 290.451 3.041 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001173110076 808513252 /nfs/dbraw/zinc/51/32/52/808513252.db2.gz NZIOIHCOJUKICG-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccncc2)CC1 ZINC001173110235 808513264 /nfs/dbraw/zinc/51/32/64/808513264.db2.gz QFWINDOXVILMLJ-UHFFFAOYSA-N 2 1 275.440 3.166 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@](C)(CO)CC2)CC1 ZINC001173110211 808513425 /nfs/dbraw/zinc/51/34/25/808513425.db2.gz PZTZFNBRYIDRDY-DAWZGUTISA-N 2 1 296.499 3.124 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cccnc3C2)CC1 ZINC001173113001 808513575 /nfs/dbraw/zinc/51/35/75/808513575.db2.gz GMFGTCMNBORFRM-UHFFFAOYSA-N 2 1 287.451 3.093 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ncsc3C2)CC1 ZINC001173113317 808513882 /nfs/dbraw/zinc/51/38/82/808513882.db2.gz NBDHTQYAXZHQHT-UHFFFAOYSA-N 2 1 279.453 3.112 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3ncsc3C2)CC1 ZINC001173113317 808513887 /nfs/dbraw/zinc/51/38/87/808513887.db2.gz NBDHTQYAXZHQHT-UHFFFAOYSA-N 2 1 279.453 3.112 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001173245003 808552441 /nfs/dbraw/zinc/55/24/41/808552441.db2.gz FXIJWLWFPPVXLI-KFKAGJAMSA-N 2 1 286.463 3.206 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280566 808582891 /nfs/dbraw/zinc/58/28/91/808582891.db2.gz UUIHXODSWMLABZ-VXIBKDFQSA-N 2 1 299.462 3.024 20 0 CGADMP [NH3+]CCc1c[nH+]cn1C1CCC2(CCc3ccccc32)CC1 ZINC001173685018 808664561 /nfs/dbraw/zinc/66/45/61/808664561.db2.gz ZTTNNIHFKWPBOS-UHFFFAOYSA-N 2 1 295.430 3.384 20 0 CGADMP CC(C)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275097134 808907643 /nfs/dbraw/zinc/90/76/43/808907643.db2.gz ZEMOGWJXNRPXKU-SFHVURJKSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275097134 808907646 /nfs/dbraw/zinc/90/76/46/808907646.db2.gz ZEMOGWJXNRPXKU-SFHVURJKSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275097134 808907651 /nfs/dbraw/zinc/90/76/51/808907651.db2.gz ZEMOGWJXNRPXKU-SFHVURJKSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275097134 808907654 /nfs/dbraw/zinc/90/76/54/808907654.db2.gz ZEMOGWJXNRPXKU-SFHVURJKSA-N 2 1 289.467 3.349 20 0 CGADMP CC(C)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275096458 808908210 /nfs/dbraw/zinc/90/82/10/808908210.db2.gz JRLWTJIDFGLMAQ-CALCHBBNSA-N 2 1 289.467 3.205 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275096458 808908216 /nfs/dbraw/zinc/90/82/16/808908216.db2.gz JRLWTJIDFGLMAQ-CALCHBBNSA-N 2 1 289.467 3.205 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275096458 808908221 /nfs/dbraw/zinc/90/82/21/808908221.db2.gz JRLWTJIDFGLMAQ-CALCHBBNSA-N 2 1 289.467 3.205 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1 ZINC001275182458 808920399 /nfs/dbraw/zinc/92/03/99/808920399.db2.gz WQKCAKAKOFCGLF-GOSISDBHSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC001275182458 808920407 /nfs/dbraw/zinc/92/04/07/808920407.db2.gz WQKCAKAKOFCGLF-GOSISDBHSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC001275182458 808920414 /nfs/dbraw/zinc/92/04/14/808920414.db2.gz WQKCAKAKOFCGLF-GOSISDBHSA-N 2 1 287.451 3.103 20 0 CGADMP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC001275182458 808920421 /nfs/dbraw/zinc/92/04/21/808920421.db2.gz WQKCAKAKOFCGLF-GOSISDBHSA-N 2 1 287.451 3.103 20 0 CGADMP Cc1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275822489 808968114 /nfs/dbraw/zinc/96/81/14/808968114.db2.gz IYFFDUOPHVKEHU-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275822489 808968119 /nfs/dbraw/zinc/96/81/19/808968119.db2.gz IYFFDUOPHVKEHU-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275822489 808968123 /nfs/dbraw/zinc/96/81/23/808968123.db2.gz IYFFDUOPHVKEHU-SFHVURJKSA-N 2 1 272.436 3.303 20 0 CGADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC001275858026 808970968 /nfs/dbraw/zinc/97/09/68/808970968.db2.gz QIDQQRJMYXMPAB-HNNXBMFYSA-N 2 1 264.438 3.056 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC001275858026 808970970 /nfs/dbraw/zinc/97/09/70/808970970.db2.gz QIDQQRJMYXMPAB-HNNXBMFYSA-N 2 1 264.438 3.056 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC001275858026 808970972 /nfs/dbraw/zinc/97/09/72/808970972.db2.gz QIDQQRJMYXMPAB-HNNXBMFYSA-N 2 1 264.438 3.056 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC001275858026 808970974 /nfs/dbraw/zinc/97/09/74/808970974.db2.gz QIDQQRJMYXMPAB-HNNXBMFYSA-N 2 1 264.438 3.056 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867195 808972134 /nfs/dbraw/zinc/97/21/34/808972134.db2.gz YBRLBBIOFHADHK-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867195 808972138 /nfs/dbraw/zinc/97/21/38/808972138.db2.gz YBRLBBIOFHADHK-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867195 808972141 /nfs/dbraw/zinc/97/21/41/808972141.db2.gz YBRLBBIOFHADHK-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP CSc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001275901866 808973670 /nfs/dbraw/zinc/97/36/70/808973670.db2.gz NCEXYPFWDHCBJD-UHFFFAOYSA-N 2 1 290.476 3.326 20 0 CGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC1CC1)Cc1ccccc12 ZINC001276514118 809014432 /nfs/dbraw/zinc/01/44/32/809014432.db2.gz XCLDWQPCRFTPHX-UHFFFAOYSA-N 2 1 284.447 3.266 20 0 CGADMP Cc1c(F)cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1F ZINC001276668418 809025367 /nfs/dbraw/zinc/02/53/67/809025367.db2.gz CZWVGWCOQMZRJM-GASCZTMLSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1c(F)cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1F ZINC001276668418 809025373 /nfs/dbraw/zinc/02/53/73/809025373.db2.gz CZWVGWCOQMZRJM-GASCZTMLSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1c(F)cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1F ZINC001276668418 809025381 /nfs/dbraw/zinc/02/53/81/809025381.db2.gz CZWVGWCOQMZRJM-GASCZTMLSA-N 2 1 294.389 3.047 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)CCCC(C)(C)O ZINC001276765677 809029095 /nfs/dbraw/zinc/02/90/95/809029095.db2.gz ZBCTWFULCJASRC-XYTVBORESA-N 2 1 296.499 3.169 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4ccoc43)C[C@H]2CC1 ZINC001276790386 809031880 /nfs/dbraw/zinc/03/18/80/809031880.db2.gz PRPQVAJHOVJJQP-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4ccoc43)C[C@H]2CC1 ZINC001276790386 809031888 /nfs/dbraw/zinc/03/18/88/809031888.db2.gz PRPQVAJHOVJJQP-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4ccoc43)C[C@H]2CC1 ZINC001276790386 809031896 /nfs/dbraw/zinc/03/18/96/809031896.db2.gz PRPQVAJHOVJJQP-IYBDPMFKSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)nc3F)(C1)CCC2 ZINC001276812585 809033861 /nfs/dbraw/zinc/03/38/61/809033861.db2.gz HNXOGFPJVKYYAV-LSDHHAIUSA-N 2 1 297.805 3.029 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1)CC(F)(F)F ZINC001278182902 809118224 /nfs/dbraw/zinc/11/82/24/809118224.db2.gz AXNQSFSXGFUNSB-KGLIPLIRSA-N 2 1 292.389 3.383 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1)CC(F)(F)F ZINC001278182902 809118227 /nfs/dbraw/zinc/11/82/27/809118227.db2.gz AXNQSFSXGFUNSB-KGLIPLIRSA-N 2 1 292.389 3.383 20 0 CGADMP C[C@@H](C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001278182902 809118233 /nfs/dbraw/zinc/11/82/33/809118233.db2.gz AXNQSFSXGFUNSB-KGLIPLIRSA-N 2 1 292.389 3.383 20 0 CGADMP Cc1[nH+]c2ccccn2c1Nc1ccc(C[NH+](C)C)cc1 ZINC001176291533 809663499 /nfs/dbraw/zinc/66/34/99/809663499.db2.gz DINRBMUINQPQTQ-UHFFFAOYSA-N 2 1 280.375 3.448 20 0 CGADMP FC(F)Oc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC001177133079 809782438 /nfs/dbraw/zinc/78/24/38/809782438.db2.gz RUVIDLDKQCMRHA-UHFFFAOYSA-N 2 1 298.377 3.254 20 0 CGADMP CC[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCC1 ZINC001177222859 809788527 /nfs/dbraw/zinc/78/85/27/809788527.db2.gz RZJUDJCTIZSFCR-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001177294044 809792504 /nfs/dbraw/zinc/79/25/04/809792504.db2.gz CPVSMFPBXBTCPV-JQHSSLGASA-N 2 1 296.499 3.292 20 0 CGADMP CS[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001178934071 809894790 /nfs/dbraw/zinc/89/47/90/809894790.db2.gz HXYWJDAJVHAXLO-KBPBESRZSA-N 2 1 270.486 3.125 20 0 CGADMP CS[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001178934071 809894796 /nfs/dbraw/zinc/89/47/96/809894796.db2.gz HXYWJDAJVHAXLO-KBPBESRZSA-N 2 1 270.486 3.125 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001179158768 809907211 /nfs/dbraw/zinc/90/72/11/809907211.db2.gz BJUDSBRXGVIOES-CQSZACIVSA-N 2 1 289.448 3.118 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001182309086 810104229 /nfs/dbraw/zinc/10/42/29/810104229.db2.gz MNQUIZUOHCRCFE-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC001182309086 810104233 /nfs/dbraw/zinc/10/42/33/810104233.db2.gz MNQUIZUOHCRCFE-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C)cc(CC[NH2+]CC[N@@H+]2CCCC2(C)C)c1 ZINC001182310469 810104438 /nfs/dbraw/zinc/10/44/38/810104438.db2.gz YPIUDWWSDLOEDR-UHFFFAOYSA-N 2 1 274.452 3.310 20 0 CGADMP Cc1cc(C)cc(CC[NH2+]CC[N@H+]2CCCC2(C)C)c1 ZINC001182310469 810104442 /nfs/dbraw/zinc/10/44/42/810104442.db2.gz YPIUDWWSDLOEDR-UHFFFAOYSA-N 2 1 274.452 3.310 20 0 CGADMP CC[N@@H+](CCC[NH2+]CC1(COC)CCC1)C1CCCCC1 ZINC001182743724 810122585 /nfs/dbraw/zinc/12/25/85/810122585.db2.gz RFZPBETWXQWRHW-UHFFFAOYSA-N 2 1 296.499 3.437 20 0 CGADMP Cc1nccn1CC[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001198704453 811537530 /nfs/dbraw/zinc/53/75/30/811537530.db2.gz AXLZPUVXWHWBRS-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1ncsc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001199320622 811572718 /nfs/dbraw/zinc/57/27/18/811572718.db2.gz OELNAFCVONHPFA-OKILXGFUSA-N 2 1 295.496 3.299 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001200356090 811680611 /nfs/dbraw/zinc/68/06/11/811680611.db2.gz POWPYGCVHUHOHO-FUHWJXTLSA-N 2 1 274.452 3.187 20 0 CGADMP CC(C)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001201479050 811857103 /nfs/dbraw/zinc/85/71/03/811857103.db2.gz YIYVIDUCSKHTMM-UHFFFAOYSA-N 2 1 274.452 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201501157 811870939 /nfs/dbraw/zinc/87/09/39/811870939.db2.gz HEIJNQOKYSZDQP-KKUMJFAQSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001201623678 811922528 /nfs/dbraw/zinc/92/25/28/811922528.db2.gz CRYPFXSQDXWWMD-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201623869 811922665 /nfs/dbraw/zinc/92/26/65/811922665.db2.gz CDOLPSSGPKSTHS-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201623869 811922673 /nfs/dbraw/zinc/92/26/73/811922673.db2.gz CDOLPSSGPKSTHS-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201623869 811922675 /nfs/dbraw/zinc/92/26/75/811922675.db2.gz CDOLPSSGPKSTHS-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)[C@@H]1OC ZINC001201760872 811962974 /nfs/dbraw/zinc/96/29/74/811962974.db2.gz JXYWUHQOPBFNKE-FPCVCCKLSA-N 2 1 296.499 3.289 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC001202610763 812134860 /nfs/dbraw/zinc/13/48/60/812134860.db2.gz BHFDYGQIDIEZSN-PMPSAXMXSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC001202610763 812134865 /nfs/dbraw/zinc/13/48/65/812134865.db2.gz BHFDYGQIDIEZSN-PMPSAXMXSA-N 2 1 270.461 3.044 20 0 CGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001202740048 812162867 /nfs/dbraw/zinc/16/28/67/812162867.db2.gz RTRQOAIBAGPOKJ-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccccc2)CC1 ZINC001203309043 812306182 /nfs/dbraw/zinc/30/61/82/812306182.db2.gz NEUNJZQRIIGIBW-UHFFFAOYSA-N 2 1 281.403 3.129 20 0 CGADMP Cc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001203892327 812482738 /nfs/dbraw/zinc/48/27/38/812482738.db2.gz HWAHIZNLCCTXLT-UHFFFAOYSA-N 2 1 272.436 3.445 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)cc1 ZINC001204168224 812563411 /nfs/dbraw/zinc/56/34/11/812563411.db2.gz KLNASFTXXMKPNR-ROUUACIJSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)c1ccc(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001204168224 812563416 /nfs/dbraw/zinc/56/34/16/812563416.db2.gz KLNASFTXXMKPNR-ROUUACIJSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)c1ccc(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001204168224 812563420 /nfs/dbraw/zinc/56/34/20/812563420.db2.gz KLNASFTXXMKPNR-ROUUACIJSA-N 2 1 272.436 3.336 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC3(CC3)C2)cc1 ZINC001204264917 812592927 /nfs/dbraw/zinc/59/29/27/812592927.db2.gz ZELMLMTXHMWKBJ-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC001204438724 812638623 /nfs/dbraw/zinc/63/86/23/812638623.db2.gz JCTPUAWJZHTALK-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(Cc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC001204564328 812679174 /nfs/dbraw/zinc/67/91/74/812679174.db2.gz IZELNEDXQUDRMP-YPMHNXCESA-N 2 1 299.245 3.377 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC001204592392 812682790 /nfs/dbraw/zinc/68/27/90/812682790.db2.gz NKUPYFCXDKIDQM-KRWDZBQOSA-N 2 1 298.515 3.347 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727584 812718786 /nfs/dbraw/zinc/71/87/86/812718786.db2.gz DIKWNMHQVSFAOX-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735527 812719939 /nfs/dbraw/zinc/71/99/39/812719939.db2.gz WWQTZVWMILPEKV-UHFFFAOYSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1C ZINC001204735599 812720104 /nfs/dbraw/zinc/72/01/04/812720104.db2.gz ZORDVFGCSDAMNK-UHFFFAOYSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c2ccccc12 ZINC001204925107 812778329 /nfs/dbraw/zinc/77/83/29/812778329.db2.gz MTUPWINXIJBUBP-MRXNPFEDSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c2ccccc12 ZINC001204925107 812778335 /nfs/dbraw/zinc/77/83/35/812778335.db2.gz MTUPWINXIJBUBP-MRXNPFEDSA-N 2 1 268.404 3.461 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001204938891 812786245 /nfs/dbraw/zinc/78/62/45/812786245.db2.gz OILJQSQYMUFWLZ-BPUTZDHNSA-N 2 1 278.827 3.257 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001204938891 812786247 /nfs/dbraw/zinc/78/62/47/812786247.db2.gz OILJQSQYMUFWLZ-BPUTZDHNSA-N 2 1 278.827 3.257 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)CCC=C(C)C)C1 ZINC001205000286 812816766 /nfs/dbraw/zinc/81/67/66/812816766.db2.gz CFHUBOFPQKKAAU-HOTGVXAUSA-N 2 1 252.446 3.300 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001205000230 812818127 /nfs/dbraw/zinc/81/81/27/812818127.db2.gz AYFNDXXNIIXVBI-JLJPHGGASA-N 2 1 292.854 3.375 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102157 812867490 /nfs/dbraw/zinc/86/74/90/812867490.db2.gz PHENXOPGDDVHMU-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102157 812867499 /nfs/dbraw/zinc/86/74/99/812867499.db2.gz PHENXOPGDDVHMU-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)s2)CC1 ZINC001205110296 812870935 /nfs/dbraw/zinc/87/09/35/812870935.db2.gz QXGFGLKUVZSNBC-ZDUSSCGKSA-N 2 1 287.432 3.123 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117103 812874904 /nfs/dbraw/zinc/87/49/04/812874904.db2.gz KRDALPGTUMILPU-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123639 812877431 /nfs/dbraw/zinc/87/74/31/812877431.db2.gz DHIDIAHTCCEVNR-CYBMUJFWSA-N 2 1 284.856 3.375 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123639 812877438 /nfs/dbraw/zinc/87/74/38/812877438.db2.gz DHIDIAHTCCEVNR-CYBMUJFWSA-N 2 1 284.856 3.375 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](CC1CC3(C1)CC[NH2+]CC3)CC2 ZINC001205164861 812895224 /nfs/dbraw/zinc/89/52/24/812895224.db2.gz TZKCLOZMRAUXBH-UHFFFAOYSA-N 2 1 284.447 3.133 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001205170732 812896911 /nfs/dbraw/zinc/89/69/11/812896911.db2.gz CCIXCPRMIRCTLM-DJIMGWMZSA-N 2 1 294.483 3.076 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001205257154 812919145 /nfs/dbraw/zinc/91/91/45/812919145.db2.gz SUKUPCJOSAKVMP-INIZCTEOSA-N 2 1 280.843 3.476 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCC[C@](C)([NH3+])CC3)cc2c1 ZINC001205263662 812920391 /nfs/dbraw/zinc/92/03/91/812920391.db2.gz BHTBLMOXNILUQD-KRWDZBQOSA-N 2 1 288.391 3.145 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2sccc2Cl)CC1 ZINC001205265692 812922199 /nfs/dbraw/zinc/92/21/99/812922199.db2.gz QTBPNWZGPVDWBA-LBPRGKRZSA-N 2 1 258.818 3.105 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001205265692 812922202 /nfs/dbraw/zinc/92/22/02/812922202.db2.gz QTBPNWZGPVDWBA-LBPRGKRZSA-N 2 1 258.818 3.105 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205295658 812936393 /nfs/dbraw/zinc/93/63/93/812936393.db2.gz AXWKVIDBNCPMSO-HNNXBMFYSA-N 2 1 284.806 3.491 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205295658 812936395 /nfs/dbraw/zinc/93/63/95/812936395.db2.gz AXWKVIDBNCPMSO-HNNXBMFYSA-N 2 1 284.806 3.491 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@](C)([NH3+])CC3)cccc2n1 ZINC001205296267 812937375 /nfs/dbraw/zinc/93/73/75/812937375.db2.gz KHKVNHPYTHGQAY-SFHVURJKSA-N 2 1 283.419 3.247 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC001205296834 812937894 /nfs/dbraw/zinc/93/78/94/812937894.db2.gz UPCYYJUODQALRN-DUFGSWQCSA-N 2 1 292.854 3.360 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C[C@@H]1C[NH3+] ZINC001205303167 812940850 /nfs/dbraw/zinc/94/08/50/812940850.db2.gz ACLYJUKKBYJGSE-ZFWWWQNUSA-N 2 1 286.394 3.396 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C[C@@H]1C[NH3+] ZINC001205304673 812942630 /nfs/dbraw/zinc/94/26/30/812942630.db2.gz OXMAWNKFYYABDW-NEPJUHHUSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205315381 812948317 /nfs/dbraw/zinc/94/83/17/812948317.db2.gz FLUNRIHYVLRWIK-WFASDCNBSA-N 2 1 280.843 3.374 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318103 812951004 /nfs/dbraw/zinc/95/10/04/812951004.db2.gz RRTHZDMFALIZSZ-KSSFIOAISA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H]1CCC[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC001205535036 812996714 /nfs/dbraw/zinc/99/67/14/812996714.db2.gz BIMMODSDGDYNRS-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205615751 813027221 /nfs/dbraw/zinc/02/72/21/813027221.db2.gz AJMYAVRXTOHIAG-CJNGLKHVSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618029 813029182 /nfs/dbraw/zinc/02/91/82/813029182.db2.gz QTMRSDLCSJVUHN-ZFWWWQNUSA-N 2 1 285.435 3.283 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Cl ZINC001205618524 813029547 /nfs/dbraw/zinc/02/95/47/813029547.db2.gz WVQKGUWBXGREBV-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)F)CC[C@@H]1C[NH3+] ZINC001205626709 813031616 /nfs/dbraw/zinc/03/16/16/813031616.db2.gz IHWZWSJLAFIFOQ-CHWSQXEVSA-N 2 1 282.378 3.431 20 0 CGADMP CCc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205625972 813032312 /nfs/dbraw/zinc/03/23/12/813032312.db2.gz DBGINIMCDUBITN-YOEHRIQHSA-N 2 1 260.425 3.056 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205626454 813032418 /nfs/dbraw/zinc/03/24/18/813032418.db2.gz GIUVEWBRZTZSSX-MAUKXSAKSA-N 2 1 274.452 3.446 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205625971 813033254 /nfs/dbraw/zinc/03/32/54/813033254.db2.gz DBGINIMCDUBITN-WMLDXEAASA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccoc32)CC[C@@H]1C[NH3+] ZINC001205651829 813041705 /nfs/dbraw/zinc/04/17/05/813041705.db2.gz KFWFJSDCVVMVPH-CHWSQXEVSA-N 2 1 290.382 3.379 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)nc1C ZINC001205654474 813044352 /nfs/dbraw/zinc/04/43/52/813044352.db2.gz WZZLPFSGEYTQGN-BXUZGUMPSA-N 2 1 295.858 3.159 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205662888 813045393 /nfs/dbraw/zinc/04/53/93/813045393.db2.gz FDIVZKHUZNXEST-JKSUJKDBSA-N 2 1 290.451 3.201 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205662887 813046173 /nfs/dbraw/zinc/04/61/73/813046173.db2.gz FDIVZKHUZNXEST-HZPDHXFCSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817835 813095647 /nfs/dbraw/zinc/09/56/47/813095647.db2.gz RNHIWJYXRNJOET-GUYCJALGSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817835 813095656 /nfs/dbraw/zinc/09/56/56/813095656.db2.gz RNHIWJYXRNJOET-GUYCJALGSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817835 813095664 /nfs/dbraw/zinc/09/56/64/813095664.db2.gz RNHIWJYXRNJOET-GUYCJALGSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205829314 813100942 /nfs/dbraw/zinc/10/09/42/813100942.db2.gz OHIGUDCYNVXFRU-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001205829314 813100943 /nfs/dbraw/zinc/10/09/43/813100943.db2.gz OHIGUDCYNVXFRU-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205832101 813102090 /nfs/dbraw/zinc/10/20/90/813102090.db2.gz ZJRVHIAHPIKSHB-YOEHRIQHSA-N 2 1 260.425 3.198 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205832101 813102091 /nfs/dbraw/zinc/10/20/91/813102091.db2.gz ZJRVHIAHPIKSHB-YOEHRIQHSA-N 2 1 260.425 3.198 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c2ccccc12 ZINC001205903647 813126335 /nfs/dbraw/zinc/12/63/35/813126335.db2.gz QNXVFXFLHCNCTR-LSDHHAIUSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCC1CCCCC1 ZINC001205904744 813127571 /nfs/dbraw/zinc/12/75/71/813127571.db2.gz XCBYCVYGUIFEIL-ZBFHGGJFSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001205913212 813129785 /nfs/dbraw/zinc/12/97/85/813129785.db2.gz HPPXZQLAYQASGO-IUODEOHRSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205915501 813131161 /nfs/dbraw/zinc/13/11/61/813131161.db2.gz PLHDCQDZKRNGQT-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205915501 813131164 /nfs/dbraw/zinc/13/11/64/813131164.db2.gz PLHDCQDZKRNGQT-OCCSQVGLSA-N 2 1 266.816 3.208 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(CC)c1O ZINC001205913714 813131213 /nfs/dbraw/zinc/13/12/13/813131213.db2.gz JFYXHAOOEIXOIY-GUYCJALGSA-N 2 1 290.451 3.076 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923902 813135325 /nfs/dbraw/zinc/13/53/25/813135325.db2.gz PWWQPNLVFVJKRY-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923902 813135331 /nfs/dbraw/zinc/13/53/31/813135331.db2.gz PWWQPNLVFVJKRY-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c2ccccc12 ZINC001205930789 813137972 /nfs/dbraw/zinc/13/79/72/813137972.db2.gz DJHSONSOHVLFPW-MRXNPFEDSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c2ccccc12 ZINC001205930789 813137974 /nfs/dbraw/zinc/13/79/74/813137974.db2.gz DJHSONSOHVLFPW-MRXNPFEDSA-N 2 1 268.404 3.461 20 0 CGADMP Cc1cc(C)c(-c2cccc(N3CC[NH2+]CC3)c2)c(C)[nH+]1 ZINC001205944290 813143323 /nfs/dbraw/zinc/14/33/23/813143323.db2.gz XENOVXCUAHRNEV-UHFFFAOYSA-N 2 1 281.403 3.083 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205984990 813152539 /nfs/dbraw/zinc/15/25/39/813152539.db2.gz UPUOVHIIYPICJG-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205984731 813153046 /nfs/dbraw/zinc/15/30/46/813153046.db2.gz UPUOVHIIYPICJG-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(C)s1 ZINC001205996155 813157102 /nfs/dbraw/zinc/15/71/02/813157102.db2.gz VMINMOUISQOZSH-BXUZGUMPSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCC[C@@H]1C[NH3+] ZINC001205995786 813157376 /nfs/dbraw/zinc/15/73/76/813157376.db2.gz QHOIEHOBSIJHLN-LSDHHAIUSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c[nH]c21 ZINC001205997014 813157751 /nfs/dbraw/zinc/15/77/51/813157751.db2.gz YRKICIOLIWREAL-LSDHHAIUSA-N 2 1 285.435 3.283 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c[nH]c21 ZINC001205997011 813157925 /nfs/dbraw/zinc/15/79/25/813157925.db2.gz YRKICIOLIWREAL-CABCVRRESA-N 2 1 285.435 3.283 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001205996344 813158203 /nfs/dbraw/zinc/15/82/03/813158203.db2.gz WHRWMKBWGLVVNB-OLZOCXBDSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)CCC[C@@H]1C[NH3+] ZINC001205996373 813158459 /nfs/dbraw/zinc/15/84/59/813158459.db2.gz WPKQGUCDMQUJCW-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206004057 813161319 /nfs/dbraw/zinc/16/13/19/813161319.db2.gz PJZVUJHKDPUISM-JKSUJKDBSA-N 2 1 290.451 3.282 20 0 CGADMP C[C@H]1C[N@@H+](Cc2nccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206013141 813165290 /nfs/dbraw/zinc/16/52/90/813165290.db2.gz POUXUQMVMKVDBL-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC001206014517 813166218 /nfs/dbraw/zinc/16/62/18/813166218.db2.gz XEAWPAVKORGSEK-CVEARBPZSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1cc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206023168 813168568 /nfs/dbraw/zinc/16/85/68/813168568.db2.gz DKVPIIXMZMUYHG-OLZOCXBDSA-N 2 1 282.378 3.080 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206022103 813169470 /nfs/dbraw/zinc/16/94/70/813169470.db2.gz BHOPTAKLYWCBDG-ZIAGYGMSSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206026915 813169860 /nfs/dbraw/zinc/16/98/60/813169860.db2.gz VAVZFEQBOOKZDT-HIFRSBDPSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)c[nH]2)CCC[C@H]1C[NH3+] ZINC001206035053 813175539 /nfs/dbraw/zinc/17/55/39/813175539.db2.gz BKCKHJRQMYIHAK-KGLIPLIRSA-N 2 1 277.456 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc3cc[nH]c32)CCC[C@@H]1C[NH3+] ZINC001206035104 813175870 /nfs/dbraw/zinc/17/58/70/813175870.db2.gz BSFXOYRPVVGZIM-TZMCWYRMSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c3cc[nH]c32)CCC[C@@H]1C[NH3+] ZINC001206036511 813176298 /nfs/dbraw/zinc/17/62/98/813176298.db2.gz KMPAYUAHLKDGNV-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156270 813217041 /nfs/dbraw/zinc/21/70/41/813217041.db2.gz PQHWSNZMTWTHEX-ZNMIVQPWSA-N 2 1 256.409 3.130 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156270 813217046 /nfs/dbraw/zinc/21/70/46/813217046.db2.gz PQHWSNZMTWTHEX-ZNMIVQPWSA-N 2 1 256.409 3.130 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc12 ZINC001206164667 813220611 /nfs/dbraw/zinc/22/06/11/813220611.db2.gz LIHKDMBZRHQWCD-ZWKOTPCHSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc12 ZINC001206164667 813220615 /nfs/dbraw/zinc/22/06/15/813220615.db2.gz LIHKDMBZRHQWCD-ZWKOTPCHSA-N 2 1 286.394 3.409 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c(Cl)[nH]c3ccccc32)CC[C@H]1F ZINC001206163521 813221309 /nfs/dbraw/zinc/22/13/09/813221309.db2.gz DCHQAFIKSSWJPQ-OLZOCXBDSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC[C@H]1F ZINC001206163521 813221312 /nfs/dbraw/zinc/22/13/12/813221312.db2.gz DCHQAFIKSSWJPQ-OLZOCXBDSA-N 2 1 295.789 3.083 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206183768 813230086 /nfs/dbraw/zinc/23/00/86/813230086.db2.gz HDCAHQDZIIOFSE-GJZGRUSLSA-N 2 1 292.423 3.471 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206183768 813230090 /nfs/dbraw/zinc/23/00/90/813230090.db2.gz HDCAHQDZIIOFSE-GJZGRUSLSA-N 2 1 292.423 3.471 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206276888 813267791 /nfs/dbraw/zinc/26/77/91/813267791.db2.gz LEGWXPODYKNFMX-OAHLLOKOSA-N 2 1 274.452 3.416 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206276888 813267797 /nfs/dbraw/zinc/26/77/97/813267797.db2.gz LEGWXPODYKNFMX-OAHLLOKOSA-N 2 1 274.452 3.416 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c(C)c1C ZINC001206278162 813268493 /nfs/dbraw/zinc/26/84/93/813268493.db2.gz ZIZUZJFWXSOZRS-GFCCVEGCSA-N 2 1 274.452 3.270 20 0 CGADMP COc1cccc(CCC[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206296905 813276761 /nfs/dbraw/zinc/27/67/61/813276761.db2.gz VKEMPXUHPDZDRJ-GOSISDBHSA-N 2 1 290.451 3.079 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cs1 ZINC001206304665 813281471 /nfs/dbraw/zinc/28/14/71/813281471.db2.gz NPBRJOLXDDXIRY-OAHLLOKOSA-N 2 1 281.469 3.217 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304860 813281883 /nfs/dbraw/zinc/28/18/83/813281883.db2.gz PUUOUXNWGXTUGX-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ncccc3c2)CC1 ZINC001206305157 813282049 /nfs/dbraw/zinc/28/20/49/813282049.db2.gz UYVLUHCYFQVOKT-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ncsc32)CC1 ZINC001206318653 813287317 /nfs/dbraw/zinc/28/73/17/813287317.db2.gz SJZCIOBMHOMIDO-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206342735 813296458 /nfs/dbraw/zinc/29/64/58/813296458.db2.gz BAYWHSGMRKCRLD-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206342735 813296463 /nfs/dbraw/zinc/29/64/63/813296463.db2.gz BAYWHSGMRKCRLD-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCc2ccc(F)cc2)C1 ZINC001206541942 813345236 /nfs/dbraw/zinc/34/52/36/813345236.db2.gz NWYLOHXUNLKOCL-KRWDZBQOSA-N 2 1 278.415 3.209 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)[nH]1 ZINC001206547734 813346460 /nfs/dbraw/zinc/34/64/60/813346460.db2.gz FSGRTGNGNDHNML-KRWDZBQOSA-N 2 1 277.456 3.263 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001206549410 813347662 /nfs/dbraw/zinc/34/76/62/813347662.db2.gz MMMRXXDAPTZVPE-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC001206549370 813347805 /nfs/dbraw/zinc/34/78/05/813347805.db2.gz MBCFDPZBIHPMKH-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC001206549859 813348756 /nfs/dbraw/zinc/34/87/56/813348756.db2.gz REYVJNDKRIQNGR-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c21 ZINC001206549666 813349065 /nfs/dbraw/zinc/34/90/65/813349065.db2.gz PSGKEMGHLSLHSK-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP Cc1sccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206573872 813358825 /nfs/dbraw/zinc/35/88/25/813358825.db2.gz ONIXHFSCDVQKSJ-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1cccc(CC[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206580873 813363232 /nfs/dbraw/zinc/36/32/32/813363232.db2.gz GIWUOUANIXHWNG-SFHVURJKSA-N 2 1 274.452 3.390 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc(C)c1O ZINC001206588513 813366210 /nfs/dbraw/zinc/36/62/10/813366210.db2.gz ACIWBIJSUGMCKJ-KRWDZBQOSA-N 2 1 290.451 3.362 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCCC[C@H](C[NH3+])C2)C1(C)C ZINC001206606247 813371833 /nfs/dbraw/zinc/37/18/33/813371833.db2.gz IBKZYNURLBKXOQ-HZPDHXFCSA-N 2 1 264.457 3.430 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001206607187 813373050 /nfs/dbraw/zinc/37/30/50/813373050.db2.gz XLRYOLFGXBHORC-SFHVURJKSA-N 2 1 290.451 3.044 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001206617037 813375002 /nfs/dbraw/zinc/37/50/02/813375002.db2.gz YPKZVPLXWBDPKI-GFCCVEGCSA-N 2 1 291.826 3.382 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206640747 813383604 /nfs/dbraw/zinc/38/36/04/813383604.db2.gz MNWXPCBDGPTZGJ-MRXNPFEDSA-N 2 1 260.425 3.371 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206648144 813387043 /nfs/dbraw/zinc/38/70/43/813387043.db2.gz MFXCPANZABIUIX-AWEZNQCLSA-N 2 1 278.465 3.278 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714206 813404826 /nfs/dbraw/zinc/40/48/26/813404826.db2.gz BJJRSNUDRGIVBE-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714206 813404833 /nfs/dbraw/zinc/40/48/33/813404833.db2.gz BJJRSNUDRGIVBE-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206717940 813407244 /nfs/dbraw/zinc/40/72/44/813407244.db2.gz HTKQLGUMDGLZEI-UHFFFAOYSA-N 2 1 285.435 3.246 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001206717920 813407268 /nfs/dbraw/zinc/40/72/68/813407268.db2.gz HEQRTQQQGRHLEZ-UHFFFAOYSA-N 2 1 284.378 3.273 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC1 ZINC001206760712 813425301 /nfs/dbraw/zinc/42/53/01/813425301.db2.gz KLPCVBWMXUACEU-JJXSEGSLSA-N 2 1 250.430 3.038 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206761323 813425744 /nfs/dbraw/zinc/42/57/44/813425744.db2.gz WWLOZTGXIVBBQY-PMPSAXMXSA-N 2 1 284.488 3.013 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206760747 813426236 /nfs/dbraw/zinc/42/62/36/813426236.db2.gz LCNKYGVRAXSDCJ-RDJZCZTQSA-N 2 1 274.452 3.412 20 0 CGADMP COc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(C)c1C ZINC001206767822 813430802 /nfs/dbraw/zinc/43/08/02/813430802.db2.gz FOJMFPVOUOGGJE-CJNGLKHVSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ncsc1C[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001206990920 813462237 /nfs/dbraw/zinc/46/22/37/813462237.db2.gz GJVUUPOVHGDLTJ-UHFFFAOYSA-N 2 1 293.480 3.290 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(C(F)F)c1 ZINC001207131848 813495140 /nfs/dbraw/zinc/49/51/40/813495140.db2.gz LWKDSLGUXANLJN-UHFFFAOYSA-N 2 1 270.367 3.398 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(F)F)c1 ZINC001207131848 813495146 /nfs/dbraw/zinc/49/51/46/813495146.db2.gz LWKDSLGUXANLJN-UHFFFAOYSA-N 2 1 270.367 3.398 20 0 CGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001207260788 813523304 /nfs/dbraw/zinc/52/33/04/813523304.db2.gz ZQWCZYFJKNZIQL-UHFFFAOYSA-N 2 1 293.455 3.087 20 0 CGADMP COc1ccccc1[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275401 813529534 /nfs/dbraw/zinc/52/95/34/813529534.db2.gz MZBOLDCMQAXPOP-HNNXBMFYSA-N 2 1 290.451 3.072 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001207283639 813533403 /nfs/dbraw/zinc/53/34/03/813533403.db2.gz BPXIREIKTAOZJW-INIZCTEOSA-N 2 1 260.425 3.194 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCSc2ccccc2C1 ZINC001207288534 813535719 /nfs/dbraw/zinc/53/57/19/813535719.db2.gz RPNLKABZGPKWRI-UHFFFAOYSA-N 2 1 278.465 3.182 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCSc2ccccc2C1 ZINC001207288534 813535722 /nfs/dbraw/zinc/53/57/22/813535722.db2.gz RPNLKABZGPKWRI-UHFFFAOYSA-N 2 1 278.465 3.182 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001207398327 813557353 /nfs/dbraw/zinc/55/73/53/813557353.db2.gz IGFSOCZTTXIKED-LJQANCHMSA-N 2 1 286.463 3.283 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C)CC2)cc1C ZINC001207487950 813573902 /nfs/dbraw/zinc/57/39/02/813573902.db2.gz ZNMBUSMRGIDINM-UHFFFAOYSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1cccc(C)c1 ZINC001207536510 813591393 /nfs/dbraw/zinc/59/13/93/813591393.db2.gz KNMZQXPSQJYCHJ-UHFFFAOYSA-N 2 1 262.441 3.201 20 0 CGADMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c(C)c1 ZINC001207738993 813643064 /nfs/dbraw/zinc/64/30/64/813643064.db2.gz TVHUOEPWADJZRV-UHFFFAOYSA-N 2 1 278.440 3.023 20 0 CGADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c(C)c1 ZINC001207738993 813643067 /nfs/dbraw/zinc/64/30/67/813643067.db2.gz TVHUOEPWADJZRV-UHFFFAOYSA-N 2 1 278.440 3.023 20 0 CGADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)Cc2ccccc21 ZINC001208106940 813692534 /nfs/dbraw/zinc/69/25/34/813692534.db2.gz HOYDYJWGYNZCMG-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCCC(F)(F)CC2)CCCC1 ZINC001208185032 813735186 /nfs/dbraw/zinc/73/51/86/813735186.db2.gz UCSPFFOGIXRTJH-UHFFFAOYSA-N 2 1 274.399 3.230 20 0 CGADMP COc1cccc(C[N@H+](C)CC2(C[NH+](C)C)CCCC2)c1 ZINC001208191103 813737001 /nfs/dbraw/zinc/73/70/01/813737001.db2.gz KPOWXBNQNNSGTA-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP COc1cccc(C[N@@H+](C)CC2(C[NH+](C)C)CCCC2)c1 ZINC001208191103 813737008 /nfs/dbraw/zinc/73/70/08/813737008.db2.gz KPOWXBNQNNSGTA-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP C[C@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)[C@H]1C ZINC001208192606 813737909 /nfs/dbraw/zinc/73/79/09/813737909.db2.gz VWWTZNNVIMGOTJ-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)[C@@H]1C ZINC001208192607 813738356 /nfs/dbraw/zinc/73/83/56/813738356.db2.gz VWWTZNNVIMGOTJ-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001208607290 813774520 /nfs/dbraw/zinc/77/45/20/813774520.db2.gz LGWMNIOEAMITMN-OALUTQOASA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001208607290 813774524 /nfs/dbraw/zinc/77/45/24/813774524.db2.gz LGWMNIOEAMITMN-OALUTQOASA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001208607290 813774529 /nfs/dbraw/zinc/77/45/29/813774529.db2.gz LGWMNIOEAMITMN-OALUTQOASA-N 2 1 286.463 3.283 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC001208608294 813775151 /nfs/dbraw/zinc/77/51/51/813775151.db2.gz PYHHFOXIXJCXRA-OAHLLOKOSA-N 2 1 290.426 3.347 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC001208929190 813903635 /nfs/dbraw/zinc/90/36/35/813903635.db2.gz PHQLAPIIMWDPGX-SFHVURJKSA-N 2 1 272.436 3.385 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929133 813903693 /nfs/dbraw/zinc/90/36/93/813903693.db2.gz OFBVQFDMIBIZKB-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929133 813903699 /nfs/dbraw/zinc/90/36/99/813903699.db2.gz OFBVQFDMIBIZKB-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929133 813903705 /nfs/dbraw/zinc/90/37/05/813903705.db2.gz OFBVQFDMIBIZKB-KRWDZBQOSA-N 2 1 260.425 3.240 20 0 CGADMP CC1(C)[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208938685 813904290 /nfs/dbraw/zinc/90/42/90/813904290.db2.gz DCOXSKONXXQPCL-QRVBRYPASA-N 2 1 298.474 3.486 20 0 CGADMP CC1(C)[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208938685 813904293 /nfs/dbraw/zinc/90/42/93/813904293.db2.gz DCOXSKONXXQPCL-QRVBRYPASA-N 2 1 298.474 3.486 20 0 CGADMP CC1(C)[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208938685 813904300 /nfs/dbraw/zinc/90/43/00/813904300.db2.gz DCOXSKONXXQPCL-QRVBRYPASA-N 2 1 298.474 3.486 20 0 CGADMP c1cn2c(n1)CC[N@@H+](CCCCCc1ccccc1)CC2 ZINC001209235826 813980343 /nfs/dbraw/zinc/98/03/43/813980343.db2.gz SRWFWLAFCPWHKL-UHFFFAOYSA-N 2 1 283.419 3.154 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+](CCCCCc1ccccc1)CC2 ZINC001209235826 813980347 /nfs/dbraw/zinc/98/03/47/813980347.db2.gz SRWFWLAFCPWHKL-UHFFFAOYSA-N 2 1 283.419 3.154 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+](CCCCCc1ccccc1)CC2 ZINC001209235826 813980350 /nfs/dbraw/zinc/98/03/50/813980350.db2.gz SRWFWLAFCPWHKL-UHFFFAOYSA-N 2 1 283.419 3.154 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209416848 814021465 /nfs/dbraw/zinc/02/14/65/814021465.db2.gz SWHVAUAJPWWXQB-WMZOPIPTSA-N 2 1 299.462 3.026 20 0 CGADMP CCC[N@@H+](CCC[NH+]1CCCCC1)CCc1ccccn1 ZINC001209451379 814046754 /nfs/dbraw/zinc/04/67/54/814046754.db2.gz WMQQVAVUQMKPAF-UHFFFAOYSA-N 2 1 289.467 3.212 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]1 ZINC001209572877 814085695 /nfs/dbraw/zinc/08/56/95/814085695.db2.gz JBVDDZUONXWMHB-QGZVFWFLSA-N 2 1 275.440 3.164 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]1 ZINC001209572877 814085701 /nfs/dbraw/zinc/08/57/01/814085701.db2.gz JBVDDZUONXWMHB-QGZVFWFLSA-N 2 1 275.440 3.164 20 0 CGADMP CN(C)c1cc(Nc2cccc3cc[nH+]cc32)cc[nH+]1 ZINC001210224329 814353171 /nfs/dbraw/zinc/35/31/71/814353171.db2.gz KDGCRYDWKMPSHH-UHFFFAOYSA-N 2 1 264.332 3.439 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001210400838 814445728 /nfs/dbraw/zinc/44/57/28/814445728.db2.gz URQFQQVTUVIKQJ-MSOLQXFVSA-N 2 1 292.467 3.119 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001210400838 814445731 /nfs/dbraw/zinc/44/57/31/814445731.db2.gz URQFQQVTUVIKQJ-MSOLQXFVSA-N 2 1 292.467 3.119 20 0 CGADMP COc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c2ccccc12 ZINC001210473338 814477890 /nfs/dbraw/zinc/47/78/90/814477890.db2.gz CTFLVWHLZYFEAS-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c2ccccc12 ZINC001210473338 814477892 /nfs/dbraw/zinc/47/78/92/814477892.db2.gz CTFLVWHLZYFEAS-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[NH2+]1 ZINC001210496496 814489586 /nfs/dbraw/zinc/48/95/86/814489586.db2.gz HSSVZAYPRQYAKP-LLVKDONJSA-N 2 1 277.799 3.005 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[NH2+]1 ZINC001210496496 814489590 /nfs/dbraw/zinc/48/95/90/814489590.db2.gz HSSVZAYPRQYAKP-LLVKDONJSA-N 2 1 277.799 3.005 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222159988 816364569 /nfs/dbraw/zinc/36/45/69/816364569.db2.gz BGOJMTVMKUEJET-KRWDZBQOSA-N 2 1 275.440 3.069 20 0 CGADMP Cc1ncc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)s1 ZINC001222162118 816366803 /nfs/dbraw/zinc/36/68/03/816366803.db2.gz YRJSVVHNHZSYCA-INIZCTEOSA-N 2 1 293.480 3.197 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)s1 ZINC001222162118 816366810 /nfs/dbraw/zinc/36/68/10/816366810.db2.gz YRJSVVHNHZSYCA-INIZCTEOSA-N 2 1 293.480 3.197 20 0 CGADMP Fc1ccc2c(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001222237006 816382184 /nfs/dbraw/zinc/38/21/84/816382184.db2.gz DADXDDXJQIJGKT-KRWDZBQOSA-N 2 1 287.382 3.025 20 0 CGADMP Fc1ccc2c(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001222237006 816382191 /nfs/dbraw/zinc/38/21/91/816382191.db2.gz DADXDDXJQIJGKT-KRWDZBQOSA-N 2 1 287.382 3.025 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)c1C ZINC001222237608 816382486 /nfs/dbraw/zinc/38/24/86/816382486.db2.gz NZLWXIIYRUQBET-GOSISDBHSA-N 2 1 288.435 3.030 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)c1C ZINC001222237608 816382494 /nfs/dbraw/zinc/38/24/94/816382494.db2.gz NZLWXIIYRUQBET-GOSISDBHSA-N 2 1 288.435 3.030 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237905 816383328 /nfs/dbraw/zinc/38/33/28/816383328.db2.gz WRSZTWARELPPFI-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237905 816383336 /nfs/dbraw/zinc/38/33/36/816383336.db2.gz WRSZTWARELPPFI-SFHVURJKSA-N 2 1 283.419 3.194 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222283457 816395081 /nfs/dbraw/zinc/39/50/81/816395081.db2.gz YXDLHGXNAIXELD-VEGHNBABSA-N 2 1 288.479 3.421 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222283457 816395089 /nfs/dbraw/zinc/39/50/89/816395089.db2.gz YXDLHGXNAIXELD-VEGHNBABSA-N 2 1 288.479 3.421 20 0 CGADMP CCc1cccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222298522 816400692 /nfs/dbraw/zinc/40/06/92/816400692.db2.gz YEJDNHVVPGOYOA-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(C)s1 ZINC001222314429 816406384 /nfs/dbraw/zinc/40/63/84/816406384.db2.gz FYKYWUBLMMKZJP-MRXNPFEDSA-N 2 1 278.465 3.473 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314048 816406417 /nfs/dbraw/zinc/40/64/17/816406417.db2.gz BBJRYSCAOPJVQN-KRWDZBQOSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222346085 816415652 /nfs/dbraw/zinc/41/56/52/816415652.db2.gz PNTPIKQKGQEADE-GOSISDBHSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222346085 816415656 /nfs/dbraw/zinc/41/56/56/816415656.db2.gz PNTPIKQKGQEADE-GOSISDBHSA-N 2 1 272.436 3.330 20 0 CGADMP FC1(F)CCC(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001222385462 816426658 /nfs/dbraw/zinc/42/66/58/816426658.db2.gz NWHJQLTVWSVZEE-OAHLLOKOSA-N 2 1 286.410 3.420 20 0 CGADMP FC1(F)CCC(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001222385462 816426661 /nfs/dbraw/zinc/42/66/61/816426661.db2.gz NWHJQLTVWSVZEE-OAHLLOKOSA-N 2 1 286.410 3.420 20 0 CGADMP [NH3+]CC1(F)CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC001222533071 816464384 /nfs/dbraw/zinc/46/43/84/816464384.db2.gz RSUPQTLMHMPOLZ-UHFFFAOYSA-N 2 1 291.197 3.256 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222620395 816479677 /nfs/dbraw/zinc/47/96/77/816479677.db2.gz QDXSJDOWGPFBKR-SWLSCSKDSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222620395 816479682 /nfs/dbraw/zinc/47/96/82/816479682.db2.gz QDXSJDOWGPFBKR-SWLSCSKDSA-N 2 1 298.352 3.198 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620596 816481312 /nfs/dbraw/zinc/48/13/12/816481312.db2.gz VSGUWTLEONXXOB-XJKSGUPXSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1F ZINC001222623840 816481927 /nfs/dbraw/zinc/48/19/27/816481927.db2.gz OAJHOPWHTAMOPZ-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC001222629792 816483556 /nfs/dbraw/zinc/48/35/56/816483556.db2.gz OWIBYZHEJDNCGA-GASCZTMLSA-N 2 1 292.854 3.388 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001232010769 818233863 /nfs/dbraw/zinc/23/38/63/818233863.db2.gz AAPNSZHVIYHOGU-CHWSQXEVSA-N 2 1 257.381 3.431 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232011040 818233931 /nfs/dbraw/zinc/23/39/31/818233931.db2.gz GZCQGMRFTJTKKL-UHFFFAOYSA-N 2 1 277.371 3.430 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232613795 818398791 /nfs/dbraw/zinc/39/87/91/818398791.db2.gz GVIYMLTZTMDMAO-HOTGVXAUSA-N 2 1 286.444 3.285 20 0 CGADMP Fc1ccc2occ(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001234991669 818969282 /nfs/dbraw/zinc/96/92/82/818969282.db2.gz HNPGQDDBBLJFBX-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2occ(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001234991669 818969286 /nfs/dbraw/zinc/96/92/86/818969286.db2.gz HNPGQDDBBLJFBX-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP CC/C=C\CCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234980448 818970806 /nfs/dbraw/zinc/97/08/06/818970806.db2.gz XLPKKESEGOVMNS-SSGMOAHOSA-N 2 1 250.430 3.054 20 0 CGADMP c1ccc(CCCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234994906 818972727 /nfs/dbraw/zinc/97/27/27/818972727.db2.gz UELVFMJLCBYERL-GOSISDBHSA-N 2 1 272.436 3.085 20 0 CGADMP C[C@H](CC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1)CC(C)(C)C ZINC001235004582 818976267 /nfs/dbraw/zinc/97/62/67/818976267.db2.gz BPIOWEWCNOOTAU-AEFFLSMTSA-N 2 1 296.499 3.151 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016845 818980750 /nfs/dbraw/zinc/98/07/50/818980750.db2.gz IUXPAFMNBNUTCR-IXDOHACOSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016845 818980753 /nfs/dbraw/zinc/98/07/53/818980753.db2.gz IUXPAFMNBNUTCR-IXDOHACOSA-N 2 1 264.457 3.443 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016863 818981058 /nfs/dbraw/zinc/98/10/58/818981058.db2.gz JFFJGYCPBXWCJX-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016863 818981066 /nfs/dbraw/zinc/98/10/66/818981066.db2.gz JFFJGYCPBXWCJX-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026293 818981750 /nfs/dbraw/zinc/98/17/50/818981750.db2.gz MNQYPZYWTQBVPL-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)o1 ZINC001235031011 818982318 /nfs/dbraw/zinc/98/23/18/818982318.db2.gz KWQGVTIQFFZSCP-DLBZAZTESA-N 2 1 282.387 3.049 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)o1 ZINC001235031011 818982323 /nfs/dbraw/zinc/98/23/23/818982323.db2.gz KWQGVTIQFFZSCP-DLBZAZTESA-N 2 1 282.387 3.049 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025458 818983120 /nfs/dbraw/zinc/98/31/20/818983120.db2.gz BJHVYTUCOCKIJN-GXTWGEPZSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025458 818983127 /nfs/dbraw/zinc/98/31/27/818983127.db2.gz BJHVYTUCOCKIJN-GXTWGEPZSA-N 2 1 272.417 3.003 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235034548 818984297 /nfs/dbraw/zinc/98/42/97/818984297.db2.gz ZYDQLKKLHZAQEN-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235034548 818984300 /nfs/dbraw/zinc/98/43/00/818984300.db2.gz ZYDQLKKLHZAQEN-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031183 818985049 /nfs/dbraw/zinc/98/50/49/818985049.db2.gz DGRQYQSMKANMJL-QGZVFWFLSA-N 2 1 286.444 3.395 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)o1 ZINC001235037116 818986756 /nfs/dbraw/zinc/98/67/56/818986756.db2.gz CHJZMMKWRVIXPR-QGZVFWFLSA-N 2 1 276.424 3.129 20 0 CGADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C1CC1 ZINC001235091596 818999112 /nfs/dbraw/zinc/99/91/12/818999112.db2.gz FRPHABITLZZNLS-UHFFFAOYSA-N 2 1 288.410 3.279 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125053 819011640 /nfs/dbraw/zinc/01/16/40/819011640.db2.gz NCSIAWVDAUWZNY-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125053 819011645 /nfs/dbraw/zinc/01/16/45/819011645.db2.gz NCSIAWVDAUWZNY-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235140904 819015103 /nfs/dbraw/zinc/01/51/03/819015103.db2.gz OYXXVXHFKAHAMO-UHFFFAOYSA-N 2 1 292.854 3.491 20 0 CGADMP Fc1cccc(CC[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235150868 819016984 /nfs/dbraw/zinc/01/69/84/819016984.db2.gz ATRXHRXCDMXWBQ-SFHVURJKSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235151686 819017565 /nfs/dbraw/zinc/01/75/65/819017565.db2.gz ADBGWFNNIINXAK-SFHVURJKSA-N 2 1 272.436 3.349 20 0 CGADMP Fc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235155501 819017628 /nfs/dbraw/zinc/01/76/28/819017628.db2.gz OWHSTAJWJUYLKR-KRWDZBQOSA-N 2 1 276.399 3.180 20 0 CGADMP C1=CC[C@H](C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001235155910 819018436 /nfs/dbraw/zinc/01/84/36/819018436.db2.gz YTXCQUZYZCHEBY-DOTOQJQBSA-N 2 1 262.441 3.197 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)cc4)cc3)C[C@H]21 ZINC001235209972 819037265 /nfs/dbraw/zinc/03/72/65/819037265.db2.gz GWRSWDURYZQENT-PIIMJCKOSA-N 2 1 298.817 3.396 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC001235210602 819037453 /nfs/dbraw/zinc/03/74/53/819037453.db2.gz OLUIYJKCVDHIDJ-BDXSIMOUSA-N 2 1 274.452 3.348 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3ccccc3Cl)C[C@H]21 ZINC001235210935 819037491 /nfs/dbraw/zinc/03/74/91/819037491.db2.gz QTKMCDOXQMRTCB-VQFNDLOPSA-N 2 1 298.817 3.396 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3ccccc3Cl)C[C@H]21 ZINC001235210935 819037496 /nfs/dbraw/zinc/03/74/96/819037496.db2.gz QTKMCDOXQMRTCB-VQFNDLOPSA-N 2 1 298.817 3.396 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1(C)C ZINC001235256015 819051839 /nfs/dbraw/zinc/05/18/39/819051839.db2.gz OTIPZVMRRNCAKO-OAGGEKHMSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1(C)C ZINC001235256015 819051847 /nfs/dbraw/zinc/05/18/47/819051847.db2.gz OTIPZVMRRNCAKO-OAGGEKHMSA-N 2 1 262.441 3.053 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235257206 819053773 /nfs/dbraw/zinc/05/37/73/819053773.db2.gz WVCDDQSEOKBJDZ-WDSOQIARSA-N 2 1 296.389 3.414 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001235342525 819072454 /nfs/dbraw/zinc/07/24/54/819072454.db2.gz WPJVVXGVTANXNY-NSHDSACASA-N 2 1 299.245 3.343 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F)CC(C)(C)C ZINC001235402344 819086136 /nfs/dbraw/zinc/08/61/36/819086136.db2.gz IYGIUFZEOUNFOZ-HLLBOEOZSA-N 2 1 284.463 3.472 20 0 CGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235406898 819088634 /nfs/dbraw/zinc/08/86/34/819088634.db2.gz RITROZPYWVXYRQ-ROUUACIJSA-N 2 1 288.410 3.088 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235429561 819094664 /nfs/dbraw/zinc/09/46/64/819094664.db2.gz ZCFOYDPMQVBWGD-SJORKVTESA-N 2 1 290.426 3.080 20 0 CGADMP C[N@H+](Cc1ccc(F)c(Cl)c1F)CC1CC[NH2+]CC1 ZINC001235433472 819095788 /nfs/dbraw/zinc/09/57/88/819095788.db2.gz IWNZPTWFGVOMRR-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP CCCCC1CC[NH+](CC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001235432110 819096355 /nfs/dbraw/zinc/09/63/55/819096355.db2.gz ILWFMWIQYRHGGC-HNNXBMFYSA-N 2 1 268.445 3.003 20 0 CGADMP C[N@H+](Cc1c(Cl)[nH]c2ccccc21)CC1CC[NH2+]CC1 ZINC001235433559 819096641 /nfs/dbraw/zinc/09/66/41/819096641.db2.gz MLASRNSEUGKCJK-UHFFFAOYSA-N 2 1 291.826 3.253 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)CCC[NH3+])cc1 ZINC001235435193 819098602 /nfs/dbraw/zinc/09/86/02/819098602.db2.gz CBZCYIAVBTXYIW-OAHLLOKOSA-N 2 1 262.441 3.269 20 0 CGADMP CCCC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001235663791 819131680 /nfs/dbraw/zinc/13/16/80/819131680.db2.gz KSWIENUMSGDBPQ-KRWDZBQOSA-N 2 1 290.451 3.403 20 0 CGADMP CCCC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001235663791 819131685 /nfs/dbraw/zinc/13/16/85/819131685.db2.gz KSWIENUMSGDBPQ-KRWDZBQOSA-N 2 1 290.451 3.403 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235672302 819133687 /nfs/dbraw/zinc/13/36/87/819133687.db2.gz ALYLHKYLZGTGEV-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP FC1(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235673159 819133758 /nfs/dbraw/zinc/13/37/58/819133758.db2.gz MCKPQEWQKIQNPZ-QGZVFWFLSA-N 2 1 290.426 3.033 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC2(F)CC[NH2+]CC2)cc1 ZINC001235677271 819137393 /nfs/dbraw/zinc/13/73/93/819137393.db2.gz GBFFMJBOTLFQCE-INIZCTEOSA-N 2 1 276.399 3.224 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CC2(C)CC[NH2+]CC2)cc1 ZINC001235680530 819140533 /nfs/dbraw/zinc/14/05/33/819140533.db2.gz TXNBBDQCWDDBPM-QGZVFWFLSA-N 2 1 288.435 3.222 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713269 819149138 /nfs/dbraw/zinc/14/91/38/819149138.db2.gz VUELFUAIEFYEFE-OCCSQVGLSA-N 2 1 286.341 3.232 20 0 CGADMP CC[C@H]([NH3+])C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713269 819149140 /nfs/dbraw/zinc/14/91/40/819149140.db2.gz VUELFUAIEFYEFE-OCCSQVGLSA-N 2 1 286.341 3.232 20 0 CGADMP Cc1ccc2c(C[N@@H+](C)CCC3CC[NH2+]CC3)c[nH]c2c1 ZINC001235714581 819150843 /nfs/dbraw/zinc/15/08/43/819150843.db2.gz OAJAVNAOPCSYKR-UHFFFAOYSA-N 2 1 285.435 3.298 20 0 CGADMP CC[NH2+]C1CC[NH+](CCc2ccc(C(C)C)cc2)CC1 ZINC001235723774 819151474 /nfs/dbraw/zinc/15/14/74/819151474.db2.gz AQLHPEWIKJEUBB-UHFFFAOYSA-N 2 1 274.452 3.426 20 0 CGADMP CCOc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1C ZINC001235718075 819152262 /nfs/dbraw/zinc/15/22/62/819152262.db2.gz UCMSGNPDAHJXDL-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]2c2ccccc2F)CC[NH2+]CC1 ZINC001235719488 819152439 /nfs/dbraw/zinc/15/24/39/819152439.db2.gz VEWZDTJZPAKUTL-MRXNPFEDSA-N 2 1 276.399 3.352 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc(C)c1OC(C)C ZINC001235840352 819181909 /nfs/dbraw/zinc/18/19/09/819181909.db2.gz LPQFTAHSHAKQLC-INIZCTEOSA-N 2 1 290.451 3.132 20 0 CGADMP c1cc2c(cc1C[N@H+]1CC[C@H]3CCCC[C@H]3C1)CC[NH2+]C2 ZINC001235852772 819186179 /nfs/dbraw/zinc/18/61/79/819186179.db2.gz FSZBZAAJIPKTBA-APWZRJJASA-N 2 1 284.447 3.344 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001235868118 819189845 /nfs/dbraw/zinc/18/98/45/819189845.db2.gz UHMWOQBLZBYDPG-BARDWOONSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001235868118 819189848 /nfs/dbraw/zinc/18/98/48/819189848.db2.gz UHMWOQBLZBYDPG-BARDWOONSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001235868118 819189854 /nfs/dbraw/zinc/18/98/54/819189854.db2.gz UHMWOQBLZBYDPG-BARDWOONSA-N 2 1 286.410 3.132 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235925151 819223293 /nfs/dbraw/zinc/22/32/93/819223293.db2.gz DHCWOMGSVDABMC-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235924920 819223751 /nfs/dbraw/zinc/22/37/51/819223751.db2.gz CFYYKZZWZGFARA-HNNXBMFYSA-N 2 1 284.403 3.162 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc(C(F)(F)F)c1 ZINC001235925303 819224537 /nfs/dbraw/zinc/22/45/37/819224537.db2.gz GOTLFYQTIODNRZ-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc(C(F)(F)F)c1 ZINC001235925303 819224539 /nfs/dbraw/zinc/22/45/39/819224539.db2.gz GOTLFYQTIODNRZ-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCc1ccc(Cl)cc1Cl ZINC001235925521 819225250 /nfs/dbraw/zinc/22/52/50/819225250.db2.gz RYNFYAIRQLEOKU-ZDUSSCGKSA-N 2 1 287.234 3.349 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235936697 819233140 /nfs/dbraw/zinc/23/31/40/819233140.db2.gz UWFWMZPASFSOLT-MRXNPFEDSA-N 2 1 284.488 3.293 20 0 CGADMP CC1(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001235949882 819240204 /nfs/dbraw/zinc/24/02/04/819240204.db2.gz WPASYYOKIDYVRX-HNNXBMFYSA-N 2 1 276.399 3.005 20 0 CGADMP C[N@@H+](CCCc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950794 819241588 /nfs/dbraw/zinc/24/15/88/819241588.db2.gz NAGBPHBJWIQNAT-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c2ccccc12 ZINC001235958253 819246023 /nfs/dbraw/zinc/24/60/23/819246023.db2.gz BVDROPREPXYWPA-CCWDJLKJSA-N 2 1 296.414 3.018 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957633 819246096 /nfs/dbraw/zinc/24/60/96/819246096.db2.gz QWLZPOJKSSMXMF-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+])CC(C)(C)C ZINC001235959417 819247599 /nfs/dbraw/zinc/24/75/99/819247599.db2.gz PQTRJOXLLMKQNT-APIJFGDWSA-N 2 1 252.446 3.118 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001235960602 819249191 /nfs/dbraw/zinc/24/91/91/819249191.db2.gz UTTPUQPVYKRNMR-GOSISDBHSA-N 2 1 283.419 3.174 20 0 CGADMP Cc1ccc(Cl)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1F ZINC001236008966 819272668 /nfs/dbraw/zinc/27/26/68/819272668.db2.gz JVFXKRHFDMQWOH-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001236040403 819281158 /nfs/dbraw/zinc/28/11/58/819281158.db2.gz CBVLQISLVMJGJD-KRWDZBQOSA-N 2 1 294.483 3.047 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)sc3ccccc32)C1 ZINC001236067175 819298174 /nfs/dbraw/zinc/29/81/74/819298174.db2.gz MXNONKKPNKAGEE-ZDUSSCGKSA-N 2 1 274.433 3.251 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236094386 819312225 /nfs/dbraw/zinc/31/22/25/819312225.db2.gz CZIDQKAMYXGAFA-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236094386 819312231 /nfs/dbraw/zinc/31/22/31/819312231.db2.gz CZIDQKAMYXGAFA-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236093179 819312352 /nfs/dbraw/zinc/31/23/52/819312352.db2.gz GBMVMRWOCRLXJI-BEFAXECRSA-N 2 1 280.415 3.441 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236093179 819312356 /nfs/dbraw/zinc/31/23/56/819312356.db2.gz GBMVMRWOCRLXJI-BEFAXECRSA-N 2 1 280.415 3.441 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)CCC[NH2+]1 ZINC001236094305 819312726 /nfs/dbraw/zinc/31/27/26/819312726.db2.gz AQUCPWUKWMWEDH-HNNXBMFYSA-N 2 1 297.446 3.090 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)CCC[NH2+]1 ZINC001236094305 819312729 /nfs/dbraw/zinc/31/27/29/819312729.db2.gz AQUCPWUKWMWEDH-HNNXBMFYSA-N 2 1 297.446 3.090 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)C2(CC2)C1 ZINC001236154239 819348467 /nfs/dbraw/zinc/34/84/67/819348467.db2.gz NRZYVQKGJIJTEJ-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)c(OCC)c1)C1CC[NH2+]CC1 ZINC001236184133 819359367 /nfs/dbraw/zinc/35/93/67/819359367.db2.gz FRSKPIOETXWBIV-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211819 819373882 /nfs/dbraw/zinc/37/38/82/819373882.db2.gz JJUYABBKCTZWLU-ZBFHGGJFSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211819 819373890 /nfs/dbraw/zinc/37/38/90/819373890.db2.gz JJUYABBKCTZWLU-ZBFHGGJFSA-N 2 1 275.371 3.009 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)C[C@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001236212641 819374106 /nfs/dbraw/zinc/37/41/06/819374106.db2.gz KCUVIPISPDOYIC-NJINODPHSA-N 2 1 264.457 3.441 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)CCc2ccc(F)cc2Cl)CC1 ZINC001236213924 819375985 /nfs/dbraw/zinc/37/59/85/819375985.db2.gz YUBOUTQLVYHSOQ-UHFFFAOYSA-N 2 1 298.833 3.484 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(F)c(C)c2)CC1 ZINC001236213322 819376049 /nfs/dbraw/zinc/37/60/49/819376049.db2.gz OHJKZQDLLCNQHX-UHFFFAOYSA-N 2 1 278.415 3.405 20 0 CGADMP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC001236214727 819378149 /nfs/dbraw/zinc/37/81/49/819378149.db2.gz UZIZTEMUYPEILL-CVEARBPZSA-N 2 1 276.424 3.014 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC001236214727 819378156 /nfs/dbraw/zinc/37/81/56/819378156.db2.gz UZIZTEMUYPEILL-CVEARBPZSA-N 2 1 276.424 3.014 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215392 819378727 /nfs/dbraw/zinc/37/87/27/819378727.db2.gz HRGCSCJFOYHKPM-MSOLQXFVSA-N 2 1 290.451 3.484 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215392 819378733 /nfs/dbraw/zinc/37/87/33/819378733.db2.gz HRGCSCJFOYHKPM-MSOLQXFVSA-N 2 1 290.451 3.484 20 0 CGADMP CCOc1cc(C[N@@H+](C)C2CCC([NH2+]C)CC2)ccc1C ZINC001236216274 819380305 /nfs/dbraw/zinc/38/03/05/819380305.db2.gz WPGHYVFGVBNYQE-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1OC(C)C ZINC001236221690 819388168 /nfs/dbraw/zinc/38/81/68/819388168.db2.gz DNBDVKJQWRXRNF-QAQDUYKDSA-N 2 1 290.451 3.484 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236222369 819389657 /nfs/dbraw/zinc/38/96/57/819389657.db2.gz IBHIZPOXXHKUCS-HNNXBMFYSA-N 2 1 252.446 3.443 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227764 819390512 /nfs/dbraw/zinc/39/05/12/819390512.db2.gz MEVACOYTRLIGAM-DVHLICQRSA-N 2 1 272.436 3.415 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224694 819390548 /nfs/dbraw/zinc/39/05/48/819390548.db2.gz VLFQJYAUIBDVOA-WKILWMFISA-N 2 1 260.425 3.259 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236225071 819391946 /nfs/dbraw/zinc/39/19/46/819391946.db2.gz ZEJQWWLXSHWAOP-JOCQHMNTSA-N 2 1 284.806 3.489 20 0 CGADMP c1ccc2c(c1)C[N@H+](CC[C@@H]1CCCC[NH2+]1)CCS2 ZINC001236238586 819398224 /nfs/dbraw/zinc/39/82/24/819398224.db2.gz BVEXJSNZDBNEQF-HNNXBMFYSA-N 2 1 276.449 3.127 20 0 CGADMP c1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCC[NH2+]1)CCS2 ZINC001236238586 819398232 /nfs/dbraw/zinc/39/82/32/819398232.db2.gz BVEXJSNZDBNEQF-HNNXBMFYSA-N 2 1 276.449 3.127 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(C[NH3+])cc1 ZINC001236303144 819416197 /nfs/dbraw/zinc/41/61/97/819416197.db2.gz MEPUKFBVKDCGAG-UHFFFAOYSA-N 2 1 298.430 3.219 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319999 819423351 /nfs/dbraw/zinc/42/33/51/819423351.db2.gz JXJQGQQZGGAXKL-GASCZTMLSA-N 2 1 278.827 3.080 20 0 CGADMP CC[N@@H+](CCC(C)(C)c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236407181 819454804 /nfs/dbraw/zinc/45/48/04/819454804.db2.gz CZGFYODCIPYWSW-INIZCTEOSA-N 2 1 274.452 3.286 20 0 CGADMP CC[N@H+](Cc1c(OC)ccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236408260 819455504 /nfs/dbraw/zinc/45/55/04/819455504.db2.gz LSTUMUIUUCCPFZ-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@@H+](C[C@H](C)CCC=C(C)C)C[C@H]1CC[NH2+]C1 ZINC001236408288 819456555 /nfs/dbraw/zinc/45/65/55/819456555.db2.gz MTNPFRHUGONPNL-CVEARBPZSA-N 2 1 252.446 3.300 20 0 CGADMP CC[N@H+](Cc1cccc(Cl)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236410666 819457458 /nfs/dbraw/zinc/45/74/58/819457458.db2.gz IVWSLXYUOLELTE-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236410783 819457942 /nfs/dbraw/zinc/45/79/42/819457942.db2.gz DKSQCKIUHNOWJB-PMOLBWCYSA-N 2 1 292.426 3.312 20 0 CGADMP Cc1ccc(-c2cccc(C[N@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001236410783 819457946 /nfs/dbraw/zinc/45/79/46/819457946.db2.gz DKSQCKIUHNOWJB-PMOLBWCYSA-N 2 1 292.426 3.312 20 0 CGADMP COc1ccc2c(c1)C[N@H+](Cc1cccc(C[NH3+])c1)CCC2 ZINC001236432823 819477007 /nfs/dbraw/zinc/47/70/07/819477007.db2.gz CKMPJVYEHRXYLN-UHFFFAOYSA-N 2 1 296.414 3.102 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236441850 819480295 /nfs/dbraw/zinc/48/02/95/819480295.db2.gz WBGLQOXYPWFOIK-OAHLLOKOSA-N 2 1 290.451 3.295 20 0 CGADMP CS[C@@H](C)CC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458678 819486116 /nfs/dbraw/zinc/48/61/16/819486116.db2.gz VKYZQVQKPBEQPM-ZDUSSCGKSA-N 2 1 272.502 3.228 20 0 CGADMP CCc1ccccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236467729 819488665 /nfs/dbraw/zinc/48/86/65/819488665.db2.gz IOVSZIDAFPBIOJ-QGZVFWFLSA-N 2 1 260.425 3.211 20 0 CGADMP CCc1ccccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236467729 819488670 /nfs/dbraw/zinc/48/86/70/819488670.db2.gz IOVSZIDAFPBIOJ-QGZVFWFLSA-N 2 1 260.425 3.211 20 0 CGADMP CC(C)[N@H+](Cc1ccc2[nH]ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468876 819490062 /nfs/dbraw/zinc/49/00/62/819490062.db2.gz NKWLBPOIMVYFMT-MRXNPFEDSA-N 2 1 271.408 3.130 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2[nH]ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468876 819490066 /nfs/dbraw/zinc/49/00/66/819490066.db2.gz NKWLBPOIMVYFMT-MRXNPFEDSA-N 2 1 271.408 3.130 20 0 CGADMP CC[C@H](C)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541917 819529973 /nfs/dbraw/zinc/52/99/73/819529973.db2.gz OVVUXOXHYSYRJV-BPUTZDHNSA-N 2 1 252.446 3.405 20 0 CGADMP CC(C)(C)CC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553536 819535484 /nfs/dbraw/zinc/53/54/84/819535484.db2.gz YZAKTLFLVWPHRL-SHTZXODSSA-N 2 1 252.446 3.405 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC001236605327 819549816 /nfs/dbraw/zinc/54/98/16/819549816.db2.gz QVEJYUFAMOSVFP-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236605355 819551088 /nfs/dbraw/zinc/55/10/88/819551088.db2.gz RGBPLLWMWHULCG-FQEVSTJZSA-N 2 1 292.426 3.429 20 0 CGADMP Fc1ccc(CCC[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236634754 819557246 /nfs/dbraw/zinc/55/72/46/819557246.db2.gz WYERYOMITVKBAW-UHFFFAOYSA-N 2 1 290.426 3.365 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(O)c2)CC1 ZINC001236706364 819576509 /nfs/dbraw/zinc/57/65/09/819576509.db2.gz VJTJETDMFUQXSG-UHFFFAOYSA-N 2 1 294.414 3.084 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCCCO)CC2CCCCC2)CC1 ZINC001236756615 819590006 /nfs/dbraw/zinc/59/00/06/819590006.db2.gz YPZVKJGTZMIEAL-IYARVYRRSA-N 2 1 296.499 3.301 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1cccc(Br)c1 ZINC001236859768 819624622 /nfs/dbraw/zinc/62/46/22/819624622.db2.gz MJTOLAXOSVTOJR-AWEZNQCLSA-N 2 1 299.256 3.051 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1cccc(Br)c1 ZINC001236859768 819624627 /nfs/dbraw/zinc/62/46/27/819624627.db2.gz MJTOLAXOSVTOJR-AWEZNQCLSA-N 2 1 299.256 3.051 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236827476 819610329 /nfs/dbraw/zinc/61/03/29/819610329.db2.gz GBBDLHAOJJUNOR-VBNZEHGJSA-N 2 1 286.444 3.379 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236832275 819611856 /nfs/dbraw/zinc/61/18/56/819611856.db2.gz TVSUWVWSXIDGOL-MJVIPROJSA-N 2 1 296.867 3.231 20 0 CGADMP CCC[N@H+](Cc1ccc(O)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236833480 819613526 /nfs/dbraw/zinc/61/35/26/819613526.db2.gz CBVBPDATHWALQR-OAHLLOKOSA-N 2 1 298.430 3.367 20 0 CGADMP CCC[N@@H+](Cc1sccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236834227 819613726 /nfs/dbraw/zinc/61/37/26/819613726.db2.gz FPRBBVOBMUCRAG-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+](Cc1sccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236834227 819613729 /nfs/dbraw/zinc/61/37/29/819613729.db2.gz FPRBBVOBMUCRAG-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+](Cc1ccc(SC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236836945 819616642 /nfs/dbraw/zinc/61/66/42/819616642.db2.gz ZMPSYEALCPRXMM-OAHLLOKOSA-N 2 1 278.465 3.230 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236842597 819618087 /nfs/dbraw/zinc/61/80/87/819618087.db2.gz FZYOPMDMHCPUBM-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2c(F)cccc12 ZINC001236884811 819630680 /nfs/dbraw/zinc/63/06/80/819630680.db2.gz UPDZHVHPCUVTQR-ZDUSSCGKSA-N 2 1 260.356 3.148 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2c(F)cccc12 ZINC001236884811 819630682 /nfs/dbraw/zinc/63/06/82/819630682.db2.gz UPDZHVHPCUVTQR-ZDUSSCGKSA-N 2 1 260.356 3.148 20 0 CGADMP C[N@H+](Cc1ccc(F)c2ccoc21)CC1CC[NH+](C)CC1 ZINC001236906166 819637384 /nfs/dbraw/zinc/63/73/84/819637384.db2.gz QACVNRAYZDYOOK-UHFFFAOYSA-N 2 1 290.382 3.346 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001237055251 819653909 /nfs/dbraw/zinc/65/39/09/819653909.db2.gz BVHLDUKJIIGVKD-MRXNPFEDSA-N 2 1 280.843 3.333 20 0 CGADMP Cc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001237147754 819680158 /nfs/dbraw/zinc/68/01/58/819680158.db2.gz XTGUDKFJNMVZGU-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001237147754 819680161 /nfs/dbraw/zinc/68/01/61/819680161.db2.gz XTGUDKFJNMVZGU-SFHVURJKSA-N 2 1 272.436 3.410 20 0 CGADMP c1cc(C[NH+]2CCC([NH+]3CCC3)CC2)c2cccccc1-2 ZINC001237185861 819692059 /nfs/dbraw/zinc/69/20/59/819692059.db2.gz SCRRPUOARVGJRS-UHFFFAOYSA-N 2 1 280.415 3.462 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@H]2Nc3ccc(Cl)cc3[C@@H]2C1 ZINC001237228802 819707060 /nfs/dbraw/zinc/70/70/60/819707060.db2.gz BEOYUEDDOCACNU-GOEBONIOSA-N 2 1 293.842 3.052 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1(C)C ZINC001237374712 819737162 /nfs/dbraw/zinc/73/71/62/819737162.db2.gz ILOQHTGCPQEUHG-GVDBMIGSSA-N 2 1 276.468 3.443 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1(C)C ZINC001237374712 819737166 /nfs/dbraw/zinc/73/71/66/819737166.db2.gz ILOQHTGCPQEUHG-GVDBMIGSSA-N 2 1 276.468 3.443 20 0 CGADMP Oc1cc2ccccc2c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412364 819747573 /nfs/dbraw/zinc/74/75/73/819747573.db2.gz IEOIPZDCHOJJLM-KXBFYZLASA-N 2 1 296.414 3.119 20 0 CGADMP Oc1cc2ccccc2c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412364 819747575 /nfs/dbraw/zinc/74/75/75/819747575.db2.gz IEOIPZDCHOJJLM-KXBFYZLASA-N 2 1 296.414 3.119 20 0 CGADMP Cc1cnc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001238428908 819995505 /nfs/dbraw/zinc/99/55/05/819995505.db2.gz KNYJBIDLOHTGTH-UHFFFAOYSA-N 2 1 289.467 3.251 20 0 CGADMP COc1ccc(C)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001239767623 820588232 /nfs/dbraw/zinc/58/82/32/820588232.db2.gz KNVUKTYHMDYXAX-UHFFFAOYSA-N 2 1 293.370 3.005 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc2[nH]cc(C[NH3+])c2c1 ZINC001241252690 821673303 /nfs/dbraw/zinc/67/33/03/821673303.db2.gz YOZMKNSGVQZLIE-UHFFFAOYSA-N 2 1 280.375 3.063 20 0 CGADMP C[N@@H+]1CC=C(c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC001241319238 821729522 /nfs/dbraw/zinc/72/95/22/821729522.db2.gz FPWVTRLYCCGZHY-UHFFFAOYSA-N 2 1 256.393 3.001 20 0 CGADMP C[N@H+]1CCC=C(c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001241571179 821957450 /nfs/dbraw/zinc/95/74/50/821957450.db2.gz VKQRILPARGMNIE-UHFFFAOYSA-N 2 1 256.393 3.001 20 0 CGADMP C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C[NH3+])cc2)nc1 ZINC001241912790 822212892 /nfs/dbraw/zinc/21/28/92/822212892.db2.gz KKWMVJAOEBOOQI-SFHVURJKSA-N 2 1 281.403 3.364 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001242096697 822351131 /nfs/dbraw/zinc/35/11/31/822351131.db2.gz ZIXTZSOQPMYWLX-HNNXBMFYSA-N 2 1 267.376 3.058 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@H]2CC[N@H+](C)C2)cc1 ZINC001242096697 822351141 /nfs/dbraw/zinc/35/11/41/822351141.db2.gz ZIXTZSOQPMYWLX-HNNXBMFYSA-N 2 1 267.376 3.058 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC001341802886 936451381 /nfs/dbraw/zinc/45/13/81/936451381.db2.gz QFLGJTRIZUQWAF-RRFJBIMHSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc1F ZINC001343335201 936495255 /nfs/dbraw/zinc/49/52/55/936495255.db2.gz VXULGQVFNWAPRZ-YESZJQIVSA-N 2 1 290.426 3.296 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)C[C@@H]2C1 ZINC001343333030 936495284 /nfs/dbraw/zinc/49/52/84/936495284.db2.gz LSQQHVSEDZILGP-HYVNUMGLSA-N 2 1 297.446 3.330 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]2C1 ZINC001343332425 936495623 /nfs/dbraw/zinc/49/56/23/936495623.db2.gz DHRXBKUKOAGWNZ-HEHGZKQESA-N 2 1 294.389 3.127 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC001348515476 936924450 /nfs/dbraw/zinc/92/44/50/936924450.db2.gz MWCZJBDVHWYFHF-LBPRGKRZSA-N 2 1 296.842 3.216 20 0 CGADMP CN(C)c1cccc(Cl)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC001349318310 936946870 /nfs/dbraw/zinc/94/68/70/936946870.db2.gz IHMWVXQOMQXFLD-UHFFFAOYSA-N 2 1 295.858 3.108 20 0 CGADMP Cc1cc(F)cc(N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC001354079475 937089354 /nfs/dbraw/zinc/08/93/54/937089354.db2.gz MOVSKYSRTBJWNF-UHFFFAOYSA-N 2 1 279.403 3.086 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@@H]2C1 ZINC001355372761 937138659 /nfs/dbraw/zinc/13/86/59/937138659.db2.gz FUPUARFCTFRIOD-VHDGCEQUSA-N 2 1 294.389 3.127 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]2C1 ZINC001355372757 937138721 /nfs/dbraw/zinc/13/87/21/937138721.db2.gz FUPUARFCTFRIOD-BPLDGKMQSA-N 2 1 294.389 3.127 20 0 CGADMP CC(C)C[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001474349872 937204106 /nfs/dbraw/zinc/20/41/06/937204106.db2.gz DLSWPBOWGYFPNO-MRXNPFEDSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H](C)c1ccccc1 ZINC001459614495 937493604 /nfs/dbraw/zinc/49/36/04/937493604.db2.gz OSYZRBFDELIESG-AEFFLSMTSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H](C)c1ccccc1 ZINC001459614495 937493605 /nfs/dbraw/zinc/49/36/05/937493605.db2.gz OSYZRBFDELIESG-AEFFLSMTSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)c1ccccc1 ZINC001459614495 937493606 /nfs/dbraw/zinc/49/36/06/937493606.db2.gz OSYZRBFDELIESG-AEFFLSMTSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1ccccc1 ZINC001459614495 937493607 /nfs/dbraw/zinc/49/36/07/937493607.db2.gz OSYZRBFDELIESG-AEFFLSMTSA-N 2 1 292.467 3.162 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC3CCC2CC3)CC[N@@H+]1C ZINC001459614316 937493630 /nfs/dbraw/zinc/49/36/30/937493630.db2.gz PSEBHSKYVRLBTN-PYVGIJRLSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC3CCC2CC3)CC[N@H+]1C ZINC001459614316 937493631 /nfs/dbraw/zinc/49/36/31/937493631.db2.gz PSEBHSKYVRLBTN-PYVGIJRLSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC3CCC2CC3)CC[NH+]1C ZINC001459614316 937493632 /nfs/dbraw/zinc/49/36/32/937493632.db2.gz PSEBHSKYVRLBTN-PYVGIJRLSA-N 2 1 264.457 3.227 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC3CCC2CC3)CC[NH+]1C ZINC001459614316 937493633 /nfs/dbraw/zinc/49/36/33/937493633.db2.gz PSEBHSKYVRLBTN-PYVGIJRLSA-N 2 1 264.457 3.227 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001460557970 937534406 /nfs/dbraw/zinc/53/44/06/937534406.db2.gz DWYAAUOIVPXLKK-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001460557970 937534408 /nfs/dbraw/zinc/53/44/08/937534408.db2.gz DWYAAUOIVPXLKK-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001460557970 937534411 /nfs/dbraw/zinc/53/44/11/937534411.db2.gz DWYAAUOIVPXLKK-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001460557970 937534414 /nfs/dbraw/zinc/53/44/14/937534414.db2.gz DWYAAUOIVPXLKK-RYQLBKOJSA-N 2 1 278.484 3.476 20 0 CGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@](F)(c2ccccc2)C1 ZINC001460647772 937538015 /nfs/dbraw/zinc/53/80/15/937538015.db2.gz AYSAZFOEUFDKAC-QZTJIDSGSA-N 2 1 290.426 3.432 20 0 CGADMP CCc1nc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000314043249 932029059 /nfs/dbraw/zinc/02/90/59/932029059.db2.gz AJXZKPKETUSACC-DYVFJYSZSA-N 2 1 290.455 3.270 20 0 CGADMP COc1cc2cc[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)c2cc1F ZINC000420235730 932034680 /nfs/dbraw/zinc/03/46/80/932034680.db2.gz IWOCSLBHBRDXEF-VXGBXAGGSA-N 2 1 289.354 3.064 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)cn1 ZINC001461071445 937561964 /nfs/dbraw/zinc/56/19/64/937561964.db2.gz GNJCPHKODLODSU-YOEHRIQHSA-N 2 1 298.434 3.492 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001461171923 937567520 /nfs/dbraw/zinc/56/75/20/937567520.db2.gz PHFCOWOSANKFGB-OEPRFQHASA-N 2 1 272.436 3.410 20 0 CGADMP CCC1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC001461166712 937567701 /nfs/dbraw/zinc/56/77/01/937567701.db2.gz MPHQZDDZZONCIE-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C)cc1C ZINC001461233570 937570975 /nfs/dbraw/zinc/57/09/75/937570975.db2.gz NIMZCQZSXZFTGL-UHFFFAOYSA-N 2 1 271.408 3.378 20 0 CGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC001461415416 937580362 /nfs/dbraw/zinc/58/03/62/937580362.db2.gz VARRLIRDAAYQRQ-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C1CCC1)C1CCC1 ZINC001461655064 937590661 /nfs/dbraw/zinc/59/06/61/937590661.db2.gz JCWLRNXEPOLXSB-UHFFFAOYSA-N 2 1 287.451 3.454 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCCC1(C)C ZINC001461660154 937591084 /nfs/dbraw/zinc/59/10/84/937591084.db2.gz IWROCRSAUDCOME-OAHLLOKOSA-N 2 1 275.440 3.454 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C)s3)[C@@H]2C1 ZINC001461828063 937600038 /nfs/dbraw/zinc/60/00/38/937600038.db2.gz HYSFUMQXSAGTNR-CFVMTHIKSA-N 2 1 292.492 3.475 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C4CCC4)CC3)[C@H]2C1 ZINC001461829505 937600244 /nfs/dbraw/zinc/60/02/44/937600244.db2.gz LBHNUQLUJCGKEJ-YKFHYGQGSA-N 2 1 276.468 3.275 20 0 CGADMP CCOc1ccc(C[NH2+][C@H](C)CC[NH+](CC)CC)cc1F ZINC001461838411 937601154 /nfs/dbraw/zinc/60/11/54/937601154.db2.gz YTOXYQPNDBYHBN-CQSZACIVSA-N 2 1 296.430 3.434 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](CC(C)C)C2CCOCC2)C1 ZINC001333148751 932755648 /nfs/dbraw/zinc/75/56/48/932755648.db2.gz AAXVJEAGFNWOCU-WMZOPIPTSA-N 2 1 296.499 3.149 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC001462263796 937628545 /nfs/dbraw/zinc/62/85/45/937628545.db2.gz HRWMYMWVQBWNIL-FGTMMUONSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1cc(C)cc(CC[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC001462435767 937641281 /nfs/dbraw/zinc/64/12/81/937641281.db2.gz IQNNJVDULQOVLJ-SFHVURJKSA-N 2 1 274.452 3.167 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001307733916 932993783 /nfs/dbraw/zinc/99/37/83/932993783.db2.gz HNGVBTAQGHNGAY-OGWHTMIXSA-N 2 1 286.463 3.485 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307733916 932993788 /nfs/dbraw/zinc/99/37/88/932993788.db2.gz HNGVBTAQGHNGAY-OGWHTMIXSA-N 2 1 286.463 3.485 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307733916 932993791 /nfs/dbraw/zinc/99/37/91/932993791.db2.gz HNGVBTAQGHNGAY-OGWHTMIXSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1C ZINC001307875137 933014073 /nfs/dbraw/zinc/01/40/73/933014073.db2.gz HGSBHOYCURQHFV-UHFFFAOYSA-N 2 1 295.430 3.411 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307987358 933030621 /nfs/dbraw/zinc/03/06/21/933030621.db2.gz KIHOGCKAAIUHCU-ZMYBRWDISA-N 2 1 284.447 3.120 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307987358 933030624 /nfs/dbraw/zinc/03/06/24/933030624.db2.gz KIHOGCKAAIUHCU-ZMYBRWDISA-N 2 1 284.447 3.120 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307987358 933030625 /nfs/dbraw/zinc/03/06/25/933030625.db2.gz KIHOGCKAAIUHCU-ZMYBRWDISA-N 2 1 284.447 3.120 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041410 933039268 /nfs/dbraw/zinc/03/92/68/933039268.db2.gz SSOUGUWVRMUNKG-HZPDHXFCSA-N 2 1 281.403 3.353 20 0 CGADMP C[C@H]1CC(CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C[C@H](C)C1 ZINC001308119789 933053304 /nfs/dbraw/zinc/05/33/04/933053304.db2.gz GQWQCPGUENQSJZ-AHCXZYCDSA-N 2 1 278.484 3.332 20 0 CGADMP C[C@H]1CC(CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C[C@H](C)C1 ZINC001308119789 933053308 /nfs/dbraw/zinc/05/33/08/933053308.db2.gz GQWQCPGUENQSJZ-AHCXZYCDSA-N 2 1 278.484 3.332 20 0 CGADMP C[C@H]1CC(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C[C@H](C)C1 ZINC001308119789 933053312 /nfs/dbraw/zinc/05/33/12/933053312.db2.gz GQWQCPGUENQSJZ-AHCXZYCDSA-N 2 1 278.484 3.332 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC001308225282 933075805 /nfs/dbraw/zinc/07/58/05/933075805.db2.gz QRODOFHWQZKMPP-HNNXBMFYSA-N 2 1 280.843 3.470 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C)CC2)C1 ZINC001308231762 933076771 /nfs/dbraw/zinc/07/67/71/933076771.db2.gz LWMIHBWZWYIORP-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC001308750172 933170537 /nfs/dbraw/zinc/17/05/37/933170537.db2.gz JNJVMAFLXUZANU-ULQDDVLXSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC001308750172 933170539 /nfs/dbraw/zinc/17/05/39/933170539.db2.gz JNJVMAFLXUZANU-ULQDDVLXSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC001329024042 933468392 /nfs/dbraw/zinc/46/83/92/933468392.db2.gz NUZJEEDDRKGUAE-WDEREUQCSA-N 2 1 283.485 3.398 20 0 CGADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH+](C)C)C1CCCCC1 ZINC001319198507 933841926 /nfs/dbraw/zinc/84/19/26/933841926.db2.gz DSSGSHWHJLHCBA-CWRNSKLLSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)nc2C)C1 ZINC001319743180 933925531 /nfs/dbraw/zinc/92/55/31/933925531.db2.gz FQOVHYXEBCAGTR-GDBMZVCRSA-N 2 1 275.440 3.081 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC)C2)s1 ZINC001319755770 933927225 /nfs/dbraw/zinc/92/72/25/933927225.db2.gz SWWYZJNQRLPGIU-GXTWGEPZSA-N 2 1 295.496 3.396 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001320290207 934024976 /nfs/dbraw/zinc/02/49/76/934024976.db2.gz UMIXNWKZSHPQDA-FHLIZLRMSA-N 2 1 290.451 3.176 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)[C@H]2CCC[C@@H]21 ZINC001322071551 934238935 /nfs/dbraw/zinc/23/89/35/934238935.db2.gz WRDRAJSIELUBDZ-QYZOEREBSA-N 2 1 284.447 3.138 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)[C@H]2CCC[C@H]21 ZINC001322071548 934239602 /nfs/dbraw/zinc/23/96/02/934239602.db2.gz WRDRAJSIELUBDZ-CEXWTWQISA-N 2 1 284.447 3.138 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC001322632137 934322318 /nfs/dbraw/zinc/32/23/18/934322318.db2.gz DRMCMXJRXZMZHD-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC001322632137 934322323 /nfs/dbraw/zinc/32/23/23/934322323.db2.gz DRMCMXJRXZMZHD-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454711 934506556 /nfs/dbraw/zinc/50/65/56/934506556.db2.gz GJBASNUSIJVFPX-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454711 934506561 /nfs/dbraw/zinc/50/65/61/934506561.db2.gz GJBASNUSIJVFPX-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454711 934506567 /nfs/dbraw/zinc/50/65/67/934506567.db2.gz GJBASNUSIJVFPX-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)CC1(C)C ZINC001328763519 935167631 /nfs/dbraw/zinc/16/76/31/935167631.db2.gz BHBPENHNGQMIOD-INIZCTEOSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001333891046 936074110 /nfs/dbraw/zinc/07/41/10/936074110.db2.gz IQEDZCYLZOROLV-RCCFBDPRSA-N 2 1 272.436 3.157 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001335583853 936153490 /nfs/dbraw/zinc/15/34/90/936153490.db2.gz SBZVXERFEFZRAW-YDZRNGNQSA-N 2 1 298.474 3.379 20 0 CGADMP CC[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CC1 ZINC001337708776 936281967 /nfs/dbraw/zinc/28/19/67/936281967.db2.gz IMGDHFYWSDXPGZ-UHFFFAOYSA-N 2 1 287.451 3.420 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1CCCCC1 ZINC001473809788 937822969 /nfs/dbraw/zinc/82/29/69/937822969.db2.gz QWPUMXFRWIMRRJ-OAHLLOKOSA-N 2 1 273.424 3.172 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1OC ZINC001473814114 937823024 /nfs/dbraw/zinc/82/30/24/937823024.db2.gz YIIYBHWWDKTEHX-GDBMZVCRSA-N 2 1 294.414 3.359 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(F)ccc1OC ZINC001473814114 937823025 /nfs/dbraw/zinc/82/30/25/937823025.db2.gz YIIYBHWWDKTEHX-GDBMZVCRSA-N 2 1 294.414 3.359 20 0 CGADMP CS[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC001473915492 937829947 /nfs/dbraw/zinc/82/99/47/937829947.db2.gz APFBPVGGKUKOPW-KGLIPLIRSA-N 2 1 270.486 3.125 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc(C)n1 ZINC001474078261 937839152 /nfs/dbraw/zinc/83/91/52/937839152.db2.gz FEAACSONNCRVAR-QGZVFWFLSA-N 2 1 289.467 3.156 20 0 CGADMP CC[C@](C)(C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339266 937852402 /nfs/dbraw/zinc/85/24/02/937852402.db2.gz HDDGLRDLKPVJTN-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC001474451334 937860320 /nfs/dbraw/zinc/86/03/20/937860320.db2.gz BXZJRDIIFGJDFU-GXTWGEPZSA-N 2 1 292.389 3.381 20 0 CGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC001550350065 938166103 /nfs/dbraw/zinc/16/61/03/938166103.db2.gz FNGARLMHORWPKH-BPLDGKMQSA-N 2 1 294.389 3.272 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542419 938167422 /nfs/dbraw/zinc/16/74/22/938167422.db2.gz QVECOKHFLKBDCI-LSDHHAIUSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542419 938167423 /nfs/dbraw/zinc/16/74/23/938167423.db2.gz QVECOKHFLKBDCI-LSDHHAIUSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542419 938167424 /nfs/dbraw/zinc/16/74/24/938167424.db2.gz QVECOKHFLKBDCI-LSDHHAIUSA-N 2 1 280.362 3.008 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539599 938167456 /nfs/dbraw/zinc/16/74/56/938167456.db2.gz DKXKSWDJGTYIRV-UONOGXRCSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539599 938167457 /nfs/dbraw/zinc/16/74/57/938167457.db2.gz DKXKSWDJGTYIRV-UONOGXRCSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539599 938167458 /nfs/dbraw/zinc/16/74/58/938167458.db2.gz DKXKSWDJGTYIRV-UONOGXRCSA-N 2 1 298.352 3.089 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542899 938167573 /nfs/dbraw/zinc/16/75/73/938167573.db2.gz AIYMNXZQYRGAHB-INQOVCNISA-N 2 1 290.838 3.237 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C/C=C\c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542899 938167574 /nfs/dbraw/zinc/16/75/74/938167574.db2.gz AIYMNXZQYRGAHB-INQOVCNISA-N 2 1 290.838 3.237 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C\c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542899 938167575 /nfs/dbraw/zinc/16/75/75/938167575.db2.gz AIYMNXZQYRGAHB-INQOVCNISA-N 2 1 290.838 3.237 20 0 CGADMP CC(C)Oc1ccc(CN[C@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001551400500 938181514 /nfs/dbraw/zinc/18/15/14/938181514.db2.gz AZBHENRVWFMMIT-RBUKOAKNSA-N 2 1 296.414 3.188 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC001552928814 938195279 /nfs/dbraw/zinc/19/52/79/938195279.db2.gz PRBJVAYQBQHQNP-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC001552928814 938195280 /nfs/dbraw/zinc/19/52/80/938195280.db2.gz PRBJVAYQBQHQNP-DLBZAZTESA-N 2 1 294.483 3.332 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC001553026304 938196159 /nfs/dbraw/zinc/19/61/59/938196159.db2.gz ROVOSESUEXMMFP-PREGVCBESA-N 2 1 288.410 3.336 20 0 CGADMP CC1(C[NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001560312408 938252602 /nfs/dbraw/zinc/25/26/02/938252602.db2.gz HEGURVFHTCGYEG-MRXNPFEDSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1cccc(O[C@@H](C)C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001560341623 938254044 /nfs/dbraw/zinc/25/40/44/938254044.db2.gz NXPUWIFRBRJMKR-HNNXBMFYSA-N 2 1 299.418 3.013 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC001560663967 938268605 /nfs/dbraw/zinc/26/86/05/938268605.db2.gz BDRJJRGWXNTGRW-GOSISDBHSA-N 2 1 272.436 3.035 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)C1CCC1 ZINC001560844851 938278971 /nfs/dbraw/zinc/27/89/71/938278971.db2.gz CDHRBLODGUCKIE-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP COC1(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCCCCC1 ZINC001462328684 958815607 /nfs/dbraw/zinc/81/56/07/958815607.db2.gz ULRZQNXGBAZGRT-INIZCTEOSA-N 2 1 282.472 3.047 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001258774789 960428587 /nfs/dbraw/zinc/42/85/87/960428587.db2.gz YWDOCQUOOZLBMW-SFHVURJKSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCCC(C)(C)C1)C2 ZINC001576426717 960479395 /nfs/dbraw/zinc/47/93/95/960479395.db2.gz MKOAWAKSFAZINB-BHYGNILZSA-N 2 1 264.457 3.134 20 0 CGADMP CC(C)[C@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001575502281 962375039 /nfs/dbraw/zinc/37/50/39/962375039.db2.gz RZTFIDDUDMCQCF-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC001575421620 962378873 /nfs/dbraw/zinc/37/88/73/962378873.db2.gz AEIMZZBXIHJBST-HZPDHXFCSA-N 2 1 260.425 3.300 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cn1 ZINC001575655209 962411325 /nfs/dbraw/zinc/41/13/25/962411325.db2.gz ICMXKAQEOPMBBP-ZOBUZTSGSA-N 2 1 289.467 3.085 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001576051431 962426607 /nfs/dbraw/zinc/42/66/07/962426607.db2.gz BTSRAFUMJNSBIS-NHYWBVRUSA-N 2 1 296.817 3.284 20 0 CGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001576380482 962449747 /nfs/dbraw/zinc/44/97/47/962449747.db2.gz SLIUDUSOKBPFGS-HOTGVXAUSA-N 2 1 288.366 3.301 20 0 CGADMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC001576391691 962456490 /nfs/dbraw/zinc/45/64/90/962456490.db2.gz VWPOEAMMOYSKGN-OIISXLGYSA-N 2 1 284.403 3.299 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(C)(C)C[NH3+])C1 ZINC001576622371 962475072 /nfs/dbraw/zinc/47/50/72/962475072.db2.gz CXQINPBDUJTMAU-DOMZBBRYSA-N 2 1 264.388 3.194 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCc3ccccc3C1)CC[NH2+]CC2 ZINC001576638307 962477638 /nfs/dbraw/zinc/47/76/38/962477638.db2.gz OWIXPQZVWPKDPF-DLBZAZTESA-N 2 1 298.474 3.256 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001576798955 962489371 /nfs/dbraw/zinc/48/93/71/962489371.db2.gz ZNWQLLOVECCUPX-LBTNJELSSA-N 2 1 272.436 3.153 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001576806260 962491802 /nfs/dbraw/zinc/49/18/02/962491802.db2.gz CRVSFCILCMQGBH-DZGCQCFKSA-N 2 1 280.843 3.189 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001576998591 962508885 /nfs/dbraw/zinc/50/88/85/962508885.db2.gz ZJQPXEWSJFLUIF-SQWLQELKSA-N 2 1 252.446 3.405 20 0 CGADMP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)C12CCC2 ZINC001578087651 962565970 /nfs/dbraw/zinc/56/59/70/962565970.db2.gz PQJRWSQBWGKLFW-HRCADAONSA-N 2 1 296.499 3.420 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)C12CCC2 ZINC001578087651 962565982 /nfs/dbraw/zinc/56/59/82/962565982.db2.gz PQJRWSQBWGKLFW-HRCADAONSA-N 2 1 296.499 3.420 20 0 CGADMP CCn1c2ccc(C)cc2[nH+]c1NC[C@H]1CC[NH2+][C@H](C)C1 ZINC001578342620 962581601 /nfs/dbraw/zinc/58/16/01/962581601.db2.gz YBKMMPJUGYFSET-KGLIPLIRSA-N 2 1 286.423 3.165 20 0 CGADMP CSCC[C@H](C)[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC001579370870 962617979 /nfs/dbraw/zinc/61/79/79/962617979.db2.gz SXCYPONJDTWZNM-QWHCGFSZSA-N 2 1 260.491 3.213 20 0 CGADMP CSCC[C@H](C)[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC001579370870 962617987 /nfs/dbraw/zinc/61/79/87/962617987.db2.gz SXCYPONJDTWZNM-QWHCGFSZSA-N 2 1 260.491 3.213 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC001579875684 962675605 /nfs/dbraw/zinc/67/56/05/962675605.db2.gz ICAFVZRKKIOCFX-RHSMWYFYSA-N 2 1 291.439 3.103 20 0 CGADMP FC(F)n1cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580024553 962685567 /nfs/dbraw/zinc/68/55/67/962685567.db2.gz ZZPNGLPMRPWIRJ-ZIAGYGMSSA-N 2 1 297.393 3.095 20 0 CGADMP [NH3+]CC1(C[N@H+]2Cc3ccccc3C3(CCC3)C2)CCC1 ZINC001580243987 962703567 /nfs/dbraw/zinc/70/35/67/962703567.db2.gz NNWLSTPQTGRDQD-UHFFFAOYSA-N 2 1 270.420 3.053 20 0 CGADMP [NH3+]CC1(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC001580243449 962709883 /nfs/dbraw/zinc/70/98/83/962709883.db2.gz HEWOFRFEBAYATD-HNNXBMFYSA-N 2 1 280.362 3.231 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC001580243449 962709893 /nfs/dbraw/zinc/70/98/93/962709893.db2.gz HEWOFRFEBAYATD-HNNXBMFYSA-N 2 1 280.362 3.231 20 0 CGADMP c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC001580892920 962742011 /nfs/dbraw/zinc/74/20/11/962742011.db2.gz MBOJQPOFDBZMKN-IPMKNSEASA-N 2 1 284.447 3.083 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001580895391 962745479 /nfs/dbraw/zinc/74/54/79/962745479.db2.gz JFNMDFHLSFGDSO-CRAIPNDOSA-N 2 1 283.419 3.132 20 0 CGADMP c1cc(CC2CCC2)cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001580887679 962745886 /nfs/dbraw/zinc/74/58/86/962745886.db2.gz CQNYHCOCXVGDKB-MOPGFXCFSA-N 2 1 284.447 3.213 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000337410338 214061877 /nfs/dbraw/zinc/06/18/77/214061877.db2.gz WOJJKNKLLUENBA-XGXHKWSGSA-N 2 1 299.462 3.324 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000337410338 214061881 /nfs/dbraw/zinc/06/18/81/214061881.db2.gz WOJJKNKLLUENBA-XGXHKWSGSA-N 2 1 299.462 3.324 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000621330002 349498045 /nfs/dbraw/zinc/49/80/45/349498045.db2.gz WDGPQHYAKDQQPY-UONOGXRCSA-N 2 1 278.465 3.417 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000124804000 187154674 /nfs/dbraw/zinc/15/46/74/187154674.db2.gz NOQUPGZGTIMOGW-QGZVFWFLSA-N 2 1 269.392 3.419 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000124804000 187154675 /nfs/dbraw/zinc/15/46/75/187154675.db2.gz NOQUPGZGTIMOGW-QGZVFWFLSA-N 2 1 269.392 3.419 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2c1CCC2 ZINC000651672559 398266559 /nfs/dbraw/zinc/26/65/59/398266559.db2.gz DSPJLECJRKVKRV-CQSZACIVSA-N 2 1 283.419 3.106 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781689 349584920 /nfs/dbraw/zinc/58/49/20/349584920.db2.gz HUODLGXIQSLYLL-FFSVYQOJSA-N 2 1 296.361 3.162 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781689 349584923 /nfs/dbraw/zinc/58/49/23/349584923.db2.gz HUODLGXIQSLYLL-FFSVYQOJSA-N 2 1 296.361 3.162 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000621784329 349586310 /nfs/dbraw/zinc/58/63/10/349586310.db2.gz NJFVVOWQAXCKAS-JQFCIGGWSA-N 2 1 274.383 3.016 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000651866964 398298698 /nfs/dbraw/zinc/29/86/98/398298698.db2.gz XKBNXUYUDOXZOW-UHFFFAOYSA-N 2 1 273.424 3.235 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2C)[C@H](C)C1 ZINC000651911410 398305358 /nfs/dbraw/zinc/30/53/58/398305358.db2.gz XNOGSVSTYLVOHW-BZZMCLGOSA-N 2 1 272.436 3.171 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)[C@H](C)C1 ZINC000651911711 398306088 /nfs/dbraw/zinc/30/60/88/398306088.db2.gz UDNLHSGTNIPCLT-CBBWQLFWSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccn1 ZINC000338006058 214355476 /nfs/dbraw/zinc/35/54/76/214355476.db2.gz DKPGUYFAXJNGEH-HNNXBMFYSA-N 2 1 272.396 3.108 20 0 CGADMP CC(C)C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000652190081 398326801 /nfs/dbraw/zinc/32/68/01/398326801.db2.gz BEKSFXFAXORTPL-KRWDZBQOSA-N 2 1 289.398 3.479 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422718149 529495525 /nfs/dbraw/zinc/49/55/25/529495525.db2.gz PFHMYVBRLJPWGK-KGLIPLIRSA-N 2 1 269.392 3.339 20 0 CGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423286506 529501089 /nfs/dbraw/zinc/50/10/89/529501089.db2.gz HSBUAYKXRMPCEC-NSHDSACASA-N 2 1 260.381 3.383 20 0 CGADMP CC[C@@H](F)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000440532924 529554107 /nfs/dbraw/zinc/55/41/07/529554107.db2.gz PURSYMNXRINYHL-ATLSCFEFSA-N 2 1 292.442 3.481 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000423458190 529568283 /nfs/dbraw/zinc/56/82/83/529568283.db2.gz GONJFZYMPYMXPN-DTWKUNHWSA-N 2 1 291.258 3.207 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1C[C@H]1C ZINC000414098635 529592522 /nfs/dbraw/zinc/59/25/22/529592522.db2.gz QIKSIHJOOYXORG-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000367602311 282204110 /nfs/dbraw/zinc/20/41/10/282204110.db2.gz IMANCZALFVTLEC-UHFFFAOYSA-N 2 1 299.418 3.175 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOc2ccc(C)cc2C1 ZINC000367602311 282204111 /nfs/dbraw/zinc/20/41/11/282204111.db2.gz IMANCZALFVTLEC-UHFFFAOYSA-N 2 1 299.418 3.175 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(OC)c1 ZINC000359645189 529597459 /nfs/dbraw/zinc/59/74/59/529597459.db2.gz RSXUPPVAEISCLG-KRWDZBQOSA-N 2 1 278.440 3.466 20 0 CGADMP CCCC1CCC(C[NH2+]CCc2c[nH+]cn2C)CC1 ZINC000623086325 349757852 /nfs/dbraw/zinc/75/78/52/349757852.db2.gz KBSBTQBJMDKIHH-UHFFFAOYSA-N 2 1 263.429 3.159 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCSc2ccccc2)CC1(C)C ZINC000623341603 349782544 /nfs/dbraw/zinc/78/25/44/349782544.db2.gz KNRSZZLOZRUTJV-CQSZACIVSA-N 2 1 278.465 3.241 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623348825 349785318 /nfs/dbraw/zinc/78/53/18/349785318.db2.gz MLVACJDTZGFSEW-CHWSQXEVSA-N 2 1 266.454 3.142 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(F)ccc1F ZINC000423394952 529658945 /nfs/dbraw/zinc/65/89/45/529658945.db2.gz MZLLVKJZWCFKSU-NZVBXONLSA-N 2 1 268.351 3.004 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(OC)c1 ZINC000423498460 529668622 /nfs/dbraw/zinc/66/86/22/529668622.db2.gz BCUPAQVMSIAGDW-DLBZAZTESA-N 2 1 276.424 3.253 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623387183 349796034 /nfs/dbraw/zinc/79/60/34/349796034.db2.gz ONLQMWKLQQDGME-UHFFFAOYSA-N 2 1 289.326 3.062 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623396230 349797576 /nfs/dbraw/zinc/79/75/76/349797576.db2.gz LCATYIROMPKSDL-MRXNPFEDSA-N 2 1 286.463 3.489 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000623417540 349803934 /nfs/dbraw/zinc/80/39/34/349803934.db2.gz BVQQFCAIRQDRTA-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)CC1(C)C ZINC000623429755 349807124 /nfs/dbraw/zinc/80/71/24/349807124.db2.gz OIJWCABGLGAAEN-AWEZNQCLSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623516356 349825448 /nfs/dbraw/zinc/82/54/48/349825448.db2.gz ONQAHAVMOIQEGH-QKPAOTATSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623493576 349819799 /nfs/dbraw/zinc/81/97/99/349819799.db2.gz KNMLQNYGMATFFI-RBSFLKMASA-N 2 1 282.472 3.041 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1(C)C ZINC000623555523 349833440 /nfs/dbraw/zinc/83/34/40/349833440.db2.gz RPZYFXSPCHAZPL-XHSDSOJGSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)CC1(C)C ZINC000623563777 349835909 /nfs/dbraw/zinc/83/59/09/349835909.db2.gz JUNWPEUVTSWDGC-HNNXBMFYSA-N 2 1 272.392 3.395 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000481037136 534950205 /nfs/dbraw/zinc/95/02/05/534950205.db2.gz OBSXQSPEEMBDOA-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000576280088 335182021 /nfs/dbraw/zinc/18/20/21/335182021.db2.gz RNGUKTWPTVZLRN-MSOLQXFVSA-N 2 1 272.436 3.256 20 0 CGADMP C/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623739785 349874484 /nfs/dbraw/zinc/87/44/84/349874484.db2.gz GIFDKLJQGFQUOE-BAHPRDJBSA-N 2 1 270.420 3.349 20 0 CGADMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000623739785 349874489 /nfs/dbraw/zinc/87/44/89/349874489.db2.gz GIFDKLJQGFQUOE-BAHPRDJBSA-N 2 1 270.420 3.349 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000128118015 187353288 /nfs/dbraw/zinc/35/32/88/187353288.db2.gz LKUDEMLBLFUTBO-AWEZNQCLSA-N 2 1 288.435 3.220 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423276436 529986058 /nfs/dbraw/zinc/98/60/58/529986058.db2.gz ONMKOODHGDSWGF-BEFAXECRSA-N 2 1 298.430 3.230 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000423284387 529999299 /nfs/dbraw/zinc/99/92/99/529999299.db2.gz YILBBZZAZWDIBG-ZFWWWQNUSA-N 2 1 252.402 3.202 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000044535333 345012612 /nfs/dbraw/zinc/01/26/12/345012612.db2.gz MAMALWCILNHNTH-CYBMUJFWSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044533031 345012853 /nfs/dbraw/zinc/01/28/53/345012853.db2.gz OQVGHKJGZHKJTH-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044533031 345012856 /nfs/dbraw/zinc/01/28/56/345012856.db2.gz OQVGHKJGZHKJTH-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534865 345013182 /nfs/dbraw/zinc/01/31/82/345013182.db2.gz ZRVRILRDMXMDEC-HOTGVXAUSA-N 2 1 290.451 3.466 20 0 CGADMP CC(C)c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000056522312 345166572 /nfs/dbraw/zinc/16/65/72/345166572.db2.gz ZJZDCLLAQBXQNS-UHFFFAOYSA-N 2 1 295.496 3.430 20 0 CGADMP Cc1ccc([C@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000067383167 345320148 /nfs/dbraw/zinc/32/01/48/345320148.db2.gz JDWROLSRWRSOCM-INIZCTEOSA-N 2 1 284.407 3.117 20 0 CGADMP Cc1cccc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]1 ZINC000077316596 345568543 /nfs/dbraw/zinc/56/85/43/345568543.db2.gz FTUKQCQEIPFGOJ-UHFFFAOYSA-N 2 1 273.424 3.457 20 0 CGADMP Cc1[nH+]ccn1CCCNc1cc[nH+]c2ccccc12 ZINC000078333575 345600899 /nfs/dbraw/zinc/60/08/99/345600899.db2.gz HUUBUZGYRZUODK-UHFFFAOYSA-N 2 1 266.348 3.242 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000086904388 345751594 /nfs/dbraw/zinc/75/15/94/345751594.db2.gz GRGDKRRFIQGPHQ-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nccs2)C1 ZINC000351646094 219160777 /nfs/dbraw/zinc/16/07/77/219160777.db2.gz ORNDORIYWPZFGQ-HUUCEWRRSA-N 2 1 293.480 3.197 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nccs2)C1 ZINC000351646094 219160778 /nfs/dbraw/zinc/16/07/78/219160778.db2.gz ORNDORIYWPZFGQ-HUUCEWRRSA-N 2 1 293.480 3.197 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000351646094 219160781 /nfs/dbraw/zinc/16/07/81/219160781.db2.gz ORNDORIYWPZFGQ-HUUCEWRRSA-N 2 1 293.480 3.197 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000351646094 219160783 /nfs/dbraw/zinc/16/07/83/219160783.db2.gz ORNDORIYWPZFGQ-HUUCEWRRSA-N 2 1 293.480 3.197 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175909636 232326858 /nfs/dbraw/zinc/32/68/58/232326858.db2.gz XOWRZAPESDHURO-GOSISDBHSA-N 2 1 286.463 3.345 20 0 CGADMP CC(C)(C)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000236618042 346341267 /nfs/dbraw/zinc/34/12/67/346341267.db2.gz IJGGRFYGIVGTSC-UHFFFAOYSA-N 2 1 260.425 3.071 20 0 CGADMP CC(C)(C)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000236618042 346341268 /nfs/dbraw/zinc/34/12/68/346341268.db2.gz IJGGRFYGIVGTSC-UHFFFAOYSA-N 2 1 260.425 3.071 20 0 CGADMP C[C@H](F)CC[N@@H+](C)[C@H]1CCC[NH+](CC[C@H](C)F)CC1 ZINC000351729056 219188192 /nfs/dbraw/zinc/18/81/92/219188192.db2.gz CFGFJYGINBKDMA-KKUMJFAQSA-N 2 1 276.415 3.269 20 0 CGADMP C[C@H](F)CC[NH+](C)[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC000351729056 219188195 /nfs/dbraw/zinc/18/81/95/219188195.db2.gz CFGFJYGINBKDMA-KKUMJFAQSA-N 2 1 276.415 3.269 20 0 CGADMP C[C@H](F)CC[NH+](C)[C@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000351729056 219188197 /nfs/dbraw/zinc/18/81/97/219188197.db2.gz CFGFJYGINBKDMA-KKUMJFAQSA-N 2 1 276.415 3.269 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000624068084 349961956 /nfs/dbraw/zinc/96/19/56/349961956.db2.gz KLMUYOOPTLGKLK-IAGOWNOFSA-N 2 1 272.436 3.253 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308614497 346468066 /nfs/dbraw/zinc/46/80/66/346468066.db2.gz OZJIVYQRVJKVLZ-GOEBONIOSA-N 2 1 264.457 3.443 20 0 CGADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000314318001 346481914 /nfs/dbraw/zinc/48/19/14/346481914.db2.gz IPMXJBOHYMBVLT-INIZCTEOSA-N 2 1 257.381 3.094 20 0 CGADMP C[C@@H](CSCCF)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000595016718 347258224 /nfs/dbraw/zinc/25/82/24/347258224.db2.gz VUSJXWIBGSZOOD-DZGCQCFKSA-N 2 1 290.492 3.178 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000600635866 347821792 /nfs/dbraw/zinc/82/17/92/347821792.db2.gz IAZZAMAMFGNOEG-HNNXBMFYSA-N 2 1 275.440 3.195 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000624120548 349976408 /nfs/dbraw/zinc/97/64/08/349976408.db2.gz BLUWSAKSZCLRES-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120508 349976992 /nfs/dbraw/zinc/97/69/92/349976992.db2.gz ARIKGBPBVVKPEL-HIFRSBDPSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H]1C ZINC000624121774 349980029 /nfs/dbraw/zinc/98/00/29/349980029.db2.gz CVIGWKKHVBMFBH-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121424 349978264 /nfs/dbraw/zinc/97/82/64/349978264.db2.gz WFZRTXMMEXLGCI-CVEARBPZSA-N 2 1 252.446 3.443 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624121789 349980386 /nfs/dbraw/zinc/98/03/86/349980386.db2.gz CXGOKBJIYDUMJF-WBVHZDCISA-N 2 1 275.440 3.244 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000339407583 215152009 /nfs/dbraw/zinc/15/20/09/215152009.db2.gz PRFMRLUOYQDQEE-XSLAGTTESA-N 2 1 272.436 3.095 20 0 CGADMP CC(C)[C@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000339407490 215153266 /nfs/dbraw/zinc/15/32/66/215153266.db2.gz NUQNFGMHZLDBIT-KRWDZBQOSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339430645 215165440 /nfs/dbraw/zinc/16/54/40/215165440.db2.gz HTTKXBBLOAPQOM-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430645 215165441 /nfs/dbraw/zinc/16/54/41/215165441.db2.gz HTTKXBBLOAPQOM-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430645 215165442 /nfs/dbraw/zinc/16/54/42/215165442.db2.gz HTTKXBBLOAPQOM-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339428665 215162388 /nfs/dbraw/zinc/16/23/88/215162388.db2.gz RRYVBEJZTZHYLL-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339428665 215162392 /nfs/dbraw/zinc/16/23/92/215162392.db2.gz RRYVBEJZTZHYLL-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339428665 215162394 /nfs/dbraw/zinc/16/23/94/215162394.db2.gz RRYVBEJZTZHYLL-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000624123323 349983413 /nfs/dbraw/zinc/98/34/13/349983413.db2.gz JWNKCBCUXUYPCD-OLZOCXBDSA-N 2 1 297.393 3.402 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000624123323 349983418 /nfs/dbraw/zinc/98/34/18/349983418.db2.gz JWNKCBCUXUYPCD-OLZOCXBDSA-N 2 1 297.393 3.402 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000624145811 349988185 /nfs/dbraw/zinc/98/81/85/349988185.db2.gz IMZBQJHODARDNA-ZJPYXAASSA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000624145811 349988188 /nfs/dbraw/zinc/98/81/88/349988188.db2.gz IMZBQJHODARDNA-ZJPYXAASSA-N 2 1 296.499 3.433 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC1CCCC1 ZINC000358102098 233058316 /nfs/dbraw/zinc/05/83/16/233058316.db2.gz VOKJYRKSZBZEHL-ZIAGYGMSSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC1 ZINC000358197356 233078129 /nfs/dbraw/zinc/07/81/29/233078129.db2.gz WZOWMKDADNRWRQ-DOTOQJQBSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC1 ZINC000358197356 233078134 /nfs/dbraw/zinc/07/81/34/233078134.db2.gz WZOWMKDADNRWRQ-DOTOQJQBSA-N 2 1 272.436 3.287 20 0 CGADMP CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000624298205 350019646 /nfs/dbraw/zinc/01/96/46/350019646.db2.gz NKYRMUOVRADPQU-SRCQZFHVSA-N 2 1 285.391 3.009 20 0 CGADMP Clc1cccc2c1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000359199806 233278261 /nfs/dbraw/zinc/27/82/61/233278261.db2.gz FRUUXWRFSDOCMB-UHFFFAOYSA-N 2 1 278.827 3.088 20 0 CGADMP Cc1csc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359229639 233283499 /nfs/dbraw/zinc/28/34/99/233283499.db2.gz YMEHJJIHAVTKJQ-HNNXBMFYSA-N 2 1 293.480 3.021 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000626164135 350274873 /nfs/dbraw/zinc/27/48/73/350274873.db2.gz XHTCOYKWVIOWNO-JNXQLMTMSA-N 2 1 250.430 3.149 20 0 CGADMP C/C=C\C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000626164135 350274875 /nfs/dbraw/zinc/27/48/75/350274875.db2.gz XHTCOYKWVIOWNO-JNXQLMTMSA-N 2 1 250.430 3.149 20 0 CGADMP C/C=C\C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000626164135 350274876 /nfs/dbraw/zinc/27/48/76/350274876.db2.gz XHTCOYKWVIOWNO-JNXQLMTMSA-N 2 1 250.430 3.149 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000628203094 350439245 /nfs/dbraw/zinc/43/92/45/350439245.db2.gz SRCFACOOIWNIKG-NJAFHUGGSA-N 2 1 272.436 3.315 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000628203094 350439248 /nfs/dbraw/zinc/43/92/48/350439248.db2.gz SRCFACOOIWNIKG-NJAFHUGGSA-N 2 1 272.436 3.315 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000629527799 350702961 /nfs/dbraw/zinc/70/29/61/350702961.db2.gz GOILKURCUSAKRW-LUKYLMHMSA-N 2 1 287.451 3.146 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000629531172 350703758 /nfs/dbraw/zinc/70/37/58/350703758.db2.gz CISZDIXPXFKZPE-INIZCTEOSA-N 2 1 275.440 3.217 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)c1ccccc1 ZINC000629542094 350707593 /nfs/dbraw/zinc/70/75/93/350707593.db2.gz YHNLHIFWSAMZSF-IIAWOOMASA-N 2 1 260.425 3.083 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)C[NH2+]1 ZINC000629415707 350690851 /nfs/dbraw/zinc/69/08/51/350690851.db2.gz RJETUOGALXTNOM-XBVQOTNRSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1ccccc1-c1cccc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000629662225 350732817 /nfs/dbraw/zinc/73/28/17/350732817.db2.gz GOZROEVJAHIBIA-UHFFFAOYSA-N 2 1 298.430 3.069 20 0 CGADMP C[C@]1(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]C1 ZINC000629665070 350733489 /nfs/dbraw/zinc/73/34/89/350733489.db2.gz NGNGAQZDDJLLDY-HNNXBMFYSA-N 2 1 298.352 3.063 20 0 CGADMP C[C@]1(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC[NH2+]C1 ZINC000629665070 350733490 /nfs/dbraw/zinc/73/34/90/350733490.db2.gz NGNGAQZDDJLLDY-HNNXBMFYSA-N 2 1 298.352 3.063 20 0 CGADMP Cc1csc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)n1 ZINC000630052356 350802453 /nfs/dbraw/zinc/80/24/53/350802453.db2.gz ITZXMVFPNLUEJL-UHFFFAOYSA-N 2 1 287.432 3.042 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1oc2ccccc2c1Cl ZINC000631179719 350981031 /nfs/dbraw/zinc/98/10/31/350981031.db2.gz HSHAHSXTUAYHFQ-UHFFFAOYSA-N 2 1 289.766 3.152 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631659523 351109179 /nfs/dbraw/zinc/10/91/79/351109179.db2.gz RPAIVYGCXBNLLG-HOCLYGCPSA-N 2 1 278.415 3.235 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)C1 ZINC000631569668 351070716 /nfs/dbraw/zinc/07/07/16/351070716.db2.gz MCBQFEPRKWSRIS-HZPDHXFCSA-N 2 1 299.462 3.420 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CCCc2ncccc21)[NH+]1CCCCC1 ZINC000631618182 351091976 /nfs/dbraw/zinc/09/19/76/351091976.db2.gz RRFXMOKSQOALGY-QAPCUYQASA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000631861331 351151087 /nfs/dbraw/zinc/15/10/87/351151087.db2.gz ZCYPJIRGIPZRIO-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000631861331 351151091 /nfs/dbraw/zinc/15/10/91/351151091.db2.gz ZCYPJIRGIPZRIO-RISCZKNCSA-N 2 1 286.341 3.060 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)o1 ZINC000119371378 186823328 /nfs/dbraw/zinc/82/33/28/186823328.db2.gz FBRNZYTWEDUGHZ-ZDUSSCGKSA-N 2 1 276.424 3.421 20 0 CGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccon2)C[N@H+]1Cc1ccccc1 ZINC000634972720 351613269 /nfs/dbraw/zinc/61/32/69/351613269.db2.gz FNUDROLORQESMS-DOTOQJQBSA-N 2 1 299.418 3.065 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(Cl)cn1 ZINC000635010185 351628732 /nfs/dbraw/zinc/62/87/32/351628732.db2.gz JCFGTNOQFWUERW-WCQYABFASA-N 2 1 281.831 3.164 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000362724711 233920615 /nfs/dbraw/zinc/92/06/15/233920615.db2.gz LHIBQIDXYREVBH-OAHLLOKOSA-N 2 1 273.380 3.054 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000362724711 233920621 /nfs/dbraw/zinc/92/06/21/233920621.db2.gz LHIBQIDXYREVBH-OAHLLOKOSA-N 2 1 273.380 3.054 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000364115348 234021305 /nfs/dbraw/zinc/02/13/05/234021305.db2.gz YTASSFIRSYVLLF-QGTPRVQTSA-N 2 1 270.420 3.030 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000366623292 234180148 /nfs/dbraw/zinc/18/01/48/234180148.db2.gz FOCVEESBMHCGEP-GZMRBYKVSA-N 2 1 290.426 3.390 20 0 CGADMP C[C@@H](CCCC[NH3+])[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000314230298 295852158 /nfs/dbraw/zinc/85/21/58/295852158.db2.gz QEMUPPKFRULKFC-KRWDZBQOSA-N 2 1 295.515 3.282 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368102005 234281005 /nfs/dbraw/zinc/28/10/05/234281005.db2.gz MHZQYHAMFVJPHD-KCQAQPDRSA-N 2 1 269.392 3.049 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795434 188162064 /nfs/dbraw/zinc/16/20/64/188162064.db2.gz SNYBEDBBHVYKRB-VYDXJSESSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795434 188162066 /nfs/dbraw/zinc/16/20/66/188162066.db2.gz SNYBEDBBHVYKRB-VYDXJSESSA-N 2 1 298.434 3.006 20 0 CGADMP COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000155427506 188205877 /nfs/dbraw/zinc/20/58/77/188205877.db2.gz PXZKHOROEKQSBI-KBPBESRZSA-N 2 1 287.407 3.114 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC000271871396 191380462 /nfs/dbraw/zinc/38/04/62/191380462.db2.gz MRVHDDVZSQPTPU-MRXNPFEDSA-N 2 1 280.362 3.267 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000414065636 235327980 /nfs/dbraw/zinc/32/79/80/235327980.db2.gz ORHJSYMURWIAGB-AWEZNQCLSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000414201170 235362871 /nfs/dbraw/zinc/36/28/71/235362871.db2.gz YFQKULXRBOROJM-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414201915 235363033 /nfs/dbraw/zinc/36/30/33/235363033.db2.gz YIYNZRZQOVEGMC-STQMWFEESA-N 2 1 282.453 3.139 20 0 CGADMP Cc1occc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000414291984 235380494 /nfs/dbraw/zinc/38/04/94/235380494.db2.gz USONEQAFZUISMW-KBPBESRZSA-N 2 1 264.413 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2ccccc2)C1 ZINC000272991119 192010910 /nfs/dbraw/zinc/01/09/10/192010910.db2.gz XEAKNWNWTXFAKE-UHFFFAOYSA-N 2 1 269.392 3.117 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414935876 235497930 /nfs/dbraw/zinc/49/79/30/235497930.db2.gz GGPQNUWGPCGGQW-XJKSGUPXSA-N 2 1 270.376 3.034 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1Br ZINC000415052467 235518300 /nfs/dbraw/zinc/51/83/00/235518300.db2.gz HPUPDXKZFWGSEK-CYBMUJFWSA-N 2 1 299.256 3.221 20 0 CGADMP Fc1cccc(F)c1C[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000420366613 235744671 /nfs/dbraw/zinc/74/46/71/235744671.db2.gz GGCIJMGRIXIMJM-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000111380494 138364022 /nfs/dbraw/zinc/36/40/22/138364022.db2.gz GEQLCXCEONAMEX-AWEZNQCLSA-N 2 1 286.341 3.409 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(C)s1 ZINC000123727742 138369824 /nfs/dbraw/zinc/36/98/24/138369824.db2.gz CNMZGYRFOFBZKN-AWEZNQCLSA-N 2 1 254.443 3.170 20 0 CGADMP C[NH2+]C[C@@H](C)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000129559826 138397397 /nfs/dbraw/zinc/39/73/97/138397397.db2.gz OAXKNVZFFSEHAJ-SNVBAGLBSA-N 2 1 263.772 3.156 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000130134914 138398869 /nfs/dbraw/zinc/39/88/69/138398869.db2.gz ROPWWZNYAFSDMY-MELADBBJSA-N 2 1 264.438 3.334 20 0 CGADMP Cc1cc([C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CC2)ccc1F ZINC000423266148 236014346 /nfs/dbraw/zinc/01/43/46/236014346.db2.gz DFIRTUUQIFWZFY-CVEARBPZSA-N 2 1 264.388 3.158 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1SC ZINC000423273364 236017259 /nfs/dbraw/zinc/01/72/59/236017259.db2.gz KKRCEFUSTBNQCE-YPMHNXCESA-N 2 1 282.453 3.051 20 0 CGADMP Cc1cc(OCCC[C@@H](C)[NH2+][C@H](C)C[NH3+])ccc1Cl ZINC000423315684 236036215 /nfs/dbraw/zinc/03/62/15/236036215.db2.gz ALHWWEIWDVZFHK-CHWSQXEVSA-N 2 1 284.831 3.133 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423325261 236039444 /nfs/dbraw/zinc/03/94/44/236039444.db2.gz JHRCQIVOIUJTMS-XHDPSFHLSA-N 2 1 268.351 3.005 20 0 CGADMP Clc1cccc([C@H]2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423353862 236048130 /nfs/dbraw/zinc/04/81/30/236048130.db2.gz FASJHPNWUMQGEP-NUEKZKHPSA-N 2 1 278.827 3.318 20 0 CGADMP Clc1ccc([C@H]2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423360246 236048853 /nfs/dbraw/zinc/04/88/53/236048853.db2.gz QDUUYUCRWCXJMB-NUEKZKHPSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423361133 236050002 /nfs/dbraw/zinc/05/00/02/236050002.db2.gz LYRYGVZJVCNIHP-QWHCGFSZSA-N 2 1 298.377 3.389 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000423404200 236065659 /nfs/dbraw/zinc/06/56/59/236065659.db2.gz ZAVQXVVSVVOWEP-JFGNBEQYSA-N 2 1 270.779 3.270 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423446139 236073487 /nfs/dbraw/zinc/07/34/87/236073487.db2.gz NZZLZTJDVYGDLP-PKFCDNJMSA-N 2 1 286.341 3.482 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(OC(F)F)c1 ZINC000423497937 236086917 /nfs/dbraw/zinc/08/69/17/236086917.db2.gz ANUMWGIWYGWITL-NHYWBVRUSA-N 2 1 298.377 3.456 20 0 CGADMP CCOc1ccc([C@H](CC)[NH2+]C[C@H]([NH3+])CC)cc1OCC ZINC000423483600 236083652 /nfs/dbraw/zinc/08/36/52/236083652.db2.gz YAJVYWGVEQKCLY-CABCVRRESA-N 2 1 294.439 3.262 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534331 236094513 /nfs/dbraw/zinc/09/45/13/236094513.db2.gz VMXWZFMLRKUCCP-FFZOFVMBSA-N 2 1 294.442 3.271 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000294383115 199019487 /nfs/dbraw/zinc/01/94/87/199019487.db2.gz INBFABSEHFDDJH-GXTWGEPZSA-N 2 1 252.427 3.131 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424373879 236158190 /nfs/dbraw/zinc/15/81/90/236158190.db2.gz HPTPGWUIKDXSJC-CQSZACIVSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(-c2ccccc2)nn1C ZINC000424379233 236158944 /nfs/dbraw/zinc/15/89/44/236158944.db2.gz VBJNRYQNFNCKGH-NUEKZKHPSA-N 2 1 298.434 3.008 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c(Cl)c1 ZINC000424269684 236139750 /nfs/dbraw/zinc/13/97/50/236139750.db2.gz MQNMIBFSXJUMHF-LLVKDONJSA-N 2 1 293.798 3.204 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCCc1ccccc1)CC[NH2+]CC2 ZINC000424288070 236142819 /nfs/dbraw/zinc/14/28/19/236142819.db2.gz KAZCJKZCLZJTAC-MRXNPFEDSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC45CC5)[C@H]3C2)cc1 ZINC000424332456 236151019 /nfs/dbraw/zinc/15/10/19/236151019.db2.gz WKMVWRQYADUFPE-CADBVGFASA-N 2 1 296.458 3.429 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000353987058 283343085 /nfs/dbraw/zinc/34/30/85/283343085.db2.gz MPSMPQOWXHOEAO-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000353987058 283343087 /nfs/dbraw/zinc/34/30/87/283343087.db2.gz MPSMPQOWXHOEAO-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccnc1 ZINC000092739334 299289388 /nfs/dbraw/zinc/28/93/88/299289388.db2.gz LYCCBXFHIPHDIQ-HOTGVXAUSA-N 2 1 275.440 3.244 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCOC1 ZINC000436299224 237077937 /nfs/dbraw/zinc/07/79/37/237077937.db2.gz RKSOLBXYHVKNCI-XYJFISCASA-N 2 1 294.483 3.188 20 0 CGADMP c1ccc(CC2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000297318425 200146774 /nfs/dbraw/zinc/14/67/74/200146774.db2.gz CDSFFMLHKFZRTQ-UHFFFAOYSA-N 2 1 284.447 3.226 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3cccc(Cl)c3)C2)C1 ZINC000297532706 200220949 /nfs/dbraw/zinc/22/09/49/200220949.db2.gz XWUIOWBXDNDGCW-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3cccc(Cl)c3)C2)C1 ZINC000297532706 200220950 /nfs/dbraw/zinc/22/09/50/200220950.db2.gz XWUIOWBXDNDGCW-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3cccc(Cl)c3)C2)C1 ZINC000297532706 200220952 /nfs/dbraw/zinc/22/09/52/200220952.db2.gz XWUIOWBXDNDGCW-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3cccc(Cl)c3)C2)C1 ZINC000297532706 200220954 /nfs/dbraw/zinc/22/09/54/200220954.db2.gz XWUIOWBXDNDGCW-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1F ZINC000298258929 200374234 /nfs/dbraw/zinc/37/42/34/200374234.db2.gz FHOLEIBRCCKCCW-MRXNPFEDSA-N 2 1 293.361 3.372 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000177271196 189041001 /nfs/dbraw/zinc/04/10/01/189041001.db2.gz LAOXERNSTGLUDR-KBPBESRZSA-N 2 1 278.465 3.348 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000177271196 189041002 /nfs/dbraw/zinc/04/10/02/189041002.db2.gz LAOXERNSTGLUDR-KBPBESRZSA-N 2 1 278.465 3.348 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000177295778 189042631 /nfs/dbraw/zinc/04/26/31/189042631.db2.gz OLKVMJGROZLLPD-KGLIPLIRSA-N 2 1 287.407 3.187 20 0 CGADMP COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178360265 189110018 /nfs/dbraw/zinc/11/00/18/189110018.db2.gz VPVMXOGQRRGBSR-KGLIPLIRSA-N 2 1 287.407 3.256 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC000178703293 189138804 /nfs/dbraw/zinc/13/88/04/189138804.db2.gz IIBQIYZUHFPBFK-HIFRSBDPSA-N 2 1 271.408 3.487 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)ccc2c1 ZINC000179631812 189208642 /nfs/dbraw/zinc/20/86/42/189208642.db2.gz RHPQAHAXHLPCIX-MRXNPFEDSA-N 2 1 298.430 3.232 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c2ccccc12 ZINC000179638666 189209207 /nfs/dbraw/zinc/20/92/07/189209207.db2.gz HHLRERAZOHPZDB-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000180188095 189242078 /nfs/dbraw/zinc/24/20/78/189242078.db2.gz YWNMUGPCEJHXFC-HNNXBMFYSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000180188095 189242079 /nfs/dbraw/zinc/24/20/79/189242079.db2.gz YWNMUGPCEJHXFC-HNNXBMFYSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000181412591 189296305 /nfs/dbraw/zinc/29/63/05/189296305.db2.gz IKTPJRQUZIBHSP-NWDGAFQWSA-N 2 1 292.814 3.227 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@H](C)C1 ZINC000119444017 370677232 /nfs/dbraw/zinc/67/72/32/370677232.db2.gz SGOPBFMQRZRBDG-CJNGLKHVSA-N 2 1 280.843 3.202 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000183232190 189351156 /nfs/dbraw/zinc/35/11/56/189351156.db2.gz LIXYJOLWKGNGDT-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000183232190 189351157 /nfs/dbraw/zinc/35/11/57/189351157.db2.gz LIXYJOLWKGNGDT-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP COc1cccc2c(NC[C@H](C3CC3)[NH+](C)C)cc(C)[nH+]c12 ZINC000301981707 201287309 /nfs/dbraw/zinc/28/73/09/201287309.db2.gz JEDZJVPFRYLBLG-MRXNPFEDSA-N 2 1 299.418 3.304 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2ccoc21 ZINC000449070178 239157474 /nfs/dbraw/zinc/15/74/74/239157474.db2.gz BMWYHAZVLMOYFK-CYBMUJFWSA-N 2 1 283.375 3.364 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)cc(F)c1 ZINC000449082898 239165616 /nfs/dbraw/zinc/16/56/16/239165616.db2.gz QOVUNAYGJNGJDI-CSMYWGQOSA-N 2 1 294.389 3.285 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc(F)c1 ZINC000449082898 239165624 /nfs/dbraw/zinc/16/56/24/239165624.db2.gz QOVUNAYGJNGJDI-CSMYWGQOSA-N 2 1 294.389 3.285 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449100832 239179100 /nfs/dbraw/zinc/17/91/00/239179100.db2.gz CKYUVDKRRJFKDC-OAGGEKHMSA-N 2 1 284.488 3.290 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449379341 239365890 /nfs/dbraw/zinc/36/58/90/239365890.db2.gz SVXWXDDRCRCBPJ-SQNIBIBYSA-N 2 1 284.447 3.323 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646963 376190564 /nfs/dbraw/zinc/19/05/64/376190564.db2.gz DYLAHCJPSCYHKF-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646963 376190567 /nfs/dbraw/zinc/19/05/67/376190567.db2.gz DYLAHCJPSCYHKF-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646963 376190570 /nfs/dbraw/zinc/19/05/70/376190570.db2.gz DYLAHCJPSCYHKF-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000120715856 370793901 /nfs/dbraw/zinc/79/39/01/370793901.db2.gz KRNYIYDDDCSXNH-HYVNUMGLSA-N 2 1 272.436 3.179 20 0 CGADMP CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000453103410 240703985 /nfs/dbraw/zinc/70/39/85/240703985.db2.gz CGMGSIZAIPKNJL-QGZVFWFLSA-N 2 1 297.531 3.064 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275728691 193114584 /nfs/dbraw/zinc/11/45/84/193114584.db2.gz ZQRVRIRQDHQGPO-WMZOPIPTSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459350561 242086163 /nfs/dbraw/zinc/08/61/63/242086163.db2.gz GBTKPBBJFMMVRI-HNNXBMFYSA-N 2 1 288.426 3.476 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459731220 242197290 /nfs/dbraw/zinc/19/72/90/242197290.db2.gz KYEPDYJJYWHRMD-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000459767144 242221130 /nfs/dbraw/zinc/22/11/30/242221130.db2.gz PNHXEKVOAZKJQW-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000459767144 242221134 /nfs/dbraw/zinc/22/11/34/242221134.db2.gz PNHXEKVOAZKJQW-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000459767144 242221139 /nfs/dbraw/zinc/22/11/39/242221139.db2.gz PNHXEKVOAZKJQW-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000459781769 242230837 /nfs/dbraw/zinc/23/08/37/242230837.db2.gz MJSGMWWGGKSPDW-ZDUSSCGKSA-N 2 1 298.833 3.343 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)cs2)C1 ZINC000459786871 242234212 /nfs/dbraw/zinc/23/42/12/242234212.db2.gz PPMBGYFUVLNAFJ-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000462802695 242364750 /nfs/dbraw/zinc/36/47/50/242364750.db2.gz MJIBBSLBDXLDTA-JKSUJKDBSA-N 2 1 292.854 3.407 20 0 CGADMP Cc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1C ZINC000121791317 370895999 /nfs/dbraw/zinc/89/59/99/370895999.db2.gz CBLHPGLJBFIOTJ-UHFFFAOYSA-N 2 1 297.446 3.492 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000479562078 243112778 /nfs/dbraw/zinc/11/27/78/243112778.db2.gz WZUPFJAAMKSKGG-MSOLQXFVSA-N 2 1 272.436 3.356 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000479562078 243112781 /nfs/dbraw/zinc/11/27/81/243112781.db2.gz WZUPFJAAMKSKGG-MSOLQXFVSA-N 2 1 272.436 3.356 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)C1 ZINC000481331011 243186220 /nfs/dbraw/zinc/18/62/20/243186220.db2.gz HBRNEAUDQBPLSU-HUUCEWRRSA-N 2 1 278.415 3.435 20 0 CGADMP C([NH2+][C@@H]1CCSC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000020095263 368802064 /nfs/dbraw/zinc/80/20/64/368802064.db2.gz SUSYXYHUCYJFKQ-OAHLLOKOSA-N 2 1 282.497 3.270 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccnc1 ZINC000019913253 368781927 /nfs/dbraw/zinc/78/19/27/368781927.db2.gz LUXIVZXSDCTPBB-INIZCTEOSA-N 2 1 283.419 3.254 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccnc1 ZINC000019913253 368781931 /nfs/dbraw/zinc/78/19/31/368781931.db2.gz LUXIVZXSDCTPBB-INIZCTEOSA-N 2 1 283.419 3.254 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000019943275 368787626 /nfs/dbraw/zinc/78/76/26/368787626.db2.gz QKUPRGKMWBCCQK-ZDUSSCGKSA-N 2 1 252.377 3.208 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000020078480 368798181 /nfs/dbraw/zinc/79/81/81/368798181.db2.gz WHAFNSGXYLJTQA-JTQLQIEISA-N 2 1 258.768 3.081 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000020090534 368799299 /nfs/dbraw/zinc/79/92/99/368799299.db2.gz LNOVTQJGOHRFGU-AWEZNQCLSA-N 2 1 291.439 3.028 20 0 CGADMP CC[N@H+]1CCC[C@@H]1CNc1cc(C)[nH+]c2ccccc12 ZINC000035206394 369000121 /nfs/dbraw/zinc/00/01/21/369000121.db2.gz XYRQOBJALHQOJP-CQSZACIVSA-N 2 1 269.392 3.439 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000037467784 369084263 /nfs/dbraw/zinc/08/42/63/369084263.db2.gz UWBGVDYIZXTEBN-HNNXBMFYSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000037467814 369084558 /nfs/dbraw/zinc/08/45/58/369084558.db2.gz UNYJMNXCBWCELM-OAHLLOKOSA-N 2 1 272.436 3.429 20 0 CGADMP CCC[N@@H+](CCCOc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000037538855 369088927 /nfs/dbraw/zinc/08/89/27/369088927.db2.gz YZRKQLYGBQRVEA-UHFFFAOYSA-N 2 1 294.414 3.059 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000037644257 369094369 /nfs/dbraw/zinc/09/43/69/369094369.db2.gz VVIKRLXOWQCFRY-QWHCGFSZSA-N 2 1 298.377 3.280 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649203 369095716 /nfs/dbraw/zinc/09/57/16/369095716.db2.gz HJJDWXMUROFLLT-HZPDHXFCSA-N 2 1 272.436 3.438 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649170 369095986 /nfs/dbraw/zinc/09/59/86/369095986.db2.gz OSAGBIACIPGEEJ-SUMWQHHRSA-N 2 1 276.399 3.351 20 0 CGADMP Cc1cc[nH+]c(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000042244069 369207736 /nfs/dbraw/zinc/20/77/36/369207736.db2.gz PVMMSHPECDVNHG-UHFFFAOYSA-N 2 1 281.403 3.467 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000495085321 244354941 /nfs/dbraw/zinc/35/49/41/244354941.db2.gz HMJLNZUEWMQRMC-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000495085321 244354946 /nfs/dbraw/zinc/35/49/46/244354946.db2.gz HMJLNZUEWMQRMC-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000495085321 244354950 /nfs/dbraw/zinc/35/49/50/244354950.db2.gz HMJLNZUEWMQRMC-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000495085321 244354956 /nfs/dbraw/zinc/35/49/56/244354956.db2.gz HMJLNZUEWMQRMC-NZSAHSFTSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000050343227 369436342 /nfs/dbraw/zinc/43/63/42/369436342.db2.gz XSEAEAFNDSODGA-NSHDSACASA-N 2 1 250.411 3.026 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)o1 ZINC000219255515 376198648 /nfs/dbraw/zinc/19/86/48/376198648.db2.gz HVKYDMFIXXKTPW-CYBMUJFWSA-N 2 1 252.402 3.277 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)o1 ZINC000219255515 376198652 /nfs/dbraw/zinc/19/86/52/376198652.db2.gz HVKYDMFIXXKTPW-CYBMUJFWSA-N 2 1 252.402 3.277 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070074095 369778895 /nfs/dbraw/zinc/77/88/95/369778895.db2.gz MPGCDTOIMFVNFX-OAHLLOKOSA-N 2 1 260.425 3.371 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3cccnc32)C1 ZINC000072858417 369842001 /nfs/dbraw/zinc/84/20/01/369842001.db2.gz KECIZFYXJNRHCV-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072858417 369842007 /nfs/dbraw/zinc/84/20/07/369842007.db2.gz KECIZFYXJNRHCV-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072858417 369842013 /nfs/dbraw/zinc/84/20/13/369842013.db2.gz KECIZFYXJNRHCV-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[N@H+](Cc1cc(Cl)ccc1F)CC1CC[NH+](C)CC1 ZINC000093089126 370108669 /nfs/dbraw/zinc/10/86/69/370108669.db2.gz IFIPOJWZNFHIKN-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP C[C@@H]([NH2+][C@@H](c1ccccc1F)C1CCCC1)[C@H](C)[NH3+] ZINC000423443955 296154283 /nfs/dbraw/zinc/15/42/83/296154283.db2.gz LEBCIDXCFOZPKU-HWWQOWPSSA-N 2 1 264.388 3.382 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564035 370143503 /nfs/dbraw/zinc/14/35/03/370143503.db2.gz QOXKTCJNFIEJEV-QGZVFWFLSA-N 2 1 288.435 3.146 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564035 370143509 /nfs/dbraw/zinc/14/35/09/370143509.db2.gz QOXKTCJNFIEJEV-QGZVFWFLSA-N 2 1 288.435 3.146 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000104095752 370337687 /nfs/dbraw/zinc/33/76/87/370337687.db2.gz CWUFJEXYOOLGOY-CQSZACIVSA-N 2 1 266.816 3.114 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000104095752 370337693 /nfs/dbraw/zinc/33/76/93/370337693.db2.gz CWUFJEXYOOLGOY-CQSZACIVSA-N 2 1 266.816 3.114 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000104095752 370337697 /nfs/dbraw/zinc/33/76/97/370337697.db2.gz CWUFJEXYOOLGOY-CQSZACIVSA-N 2 1 266.816 3.114 20 0 CGADMP C[NH+](Cc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104095752 370337699 /nfs/dbraw/zinc/33/76/99/370337699.db2.gz CWUFJEXYOOLGOY-CQSZACIVSA-N 2 1 266.816 3.114 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113512600 370476954 /nfs/dbraw/zinc/47/69/54/370476954.db2.gz ZWLJCPSSVUCPSC-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc[nH]c2)C[N@H+]1Cc1ccccc1 ZINC000513504746 245082783 /nfs/dbraw/zinc/08/27/83/245082783.db2.gz FHSJQMITXXWMEI-AEFFLSMTSA-N 2 1 297.446 3.405 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000513683604 245090355 /nfs/dbraw/zinc/09/03/55/245090355.db2.gz LOVDLSWECUXUPE-PILAGYSTSA-N 2 1 290.426 3.392 20 0 CGADMP CC(C)OCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113997858 370488481 /nfs/dbraw/zinc/48/84/81/370488481.db2.gz ZQMRWPOEHSDYBN-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)OCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113997858 370488486 /nfs/dbraw/zinc/48/84/86/370488486.db2.gz ZQMRWPOEHSDYBN-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)OCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000113997858 370488493 /nfs/dbraw/zinc/48/84/93/370488493.db2.gz ZQMRWPOEHSDYBN-QZTJIDSGSA-N 2 1 296.499 3.388 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000514094951 245105348 /nfs/dbraw/zinc/10/53/48/245105348.db2.gz NFDQANKKZPNKAC-KKUMJFAQSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000514094951 245105354 /nfs/dbraw/zinc/10/53/54/245105354.db2.gz NFDQANKKZPNKAC-KKUMJFAQSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000514094951 245105359 /nfs/dbraw/zinc/10/53/59/245105359.db2.gz NFDQANKKZPNKAC-KKUMJFAQSA-N 2 1 288.426 3.474 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000130171477 371015504 /nfs/dbraw/zinc/01/55/04/371015504.db2.gz GLRSMKJSZPTJSG-YNEHKIRRSA-N 2 1 250.411 3.026 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000130468532 371037014 /nfs/dbraw/zinc/03/70/14/371037014.db2.gz VEPFJOBFSDABSF-CGTJXYLNSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000132928158 371212924 /nfs/dbraw/zinc/21/29/24/371212924.db2.gz ACROPMGLQVIQFU-HNNXBMFYSA-N 2 1 272.436 3.082 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000132950184 371215344 /nfs/dbraw/zinc/21/53/44/371215344.db2.gz QMONEGZKPCYZIE-YESZJQIVSA-N 2 1 290.451 3.082 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000133310656 371242539 /nfs/dbraw/zinc/24/25/39/371242539.db2.gz PSIMXRHHUIFQBS-WBVHZDCISA-N 2 1 258.409 3.007 20 0 CGADMP Cc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1C ZINC000133589700 371265494 /nfs/dbraw/zinc/26/54/94/371265494.db2.gz FLGBXBZFXNWYBY-UHFFFAOYSA-N 2 1 272.436 3.267 20 0 CGADMP CCc1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133591947 371265701 /nfs/dbraw/zinc/26/57/01/371265701.db2.gz RPXPMUKCQIRZTL-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294713 371410749 /nfs/dbraw/zinc/41/07/49/371410749.db2.gz DIUWKMXRHREPPP-HWOWSKLDSA-N 2 1 266.473 3.380 20 0 CGADMP C[N@@H+](CCCCF)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000286474010 371506800 /nfs/dbraw/zinc/50/68/00/371506800.db2.gz PIZNAVBJDIVCPI-QGZVFWFLSA-N 2 1 278.415 3.190 20 0 CGADMP C[NH+](CCCCF)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286474010 371506805 /nfs/dbraw/zinc/50/68/05/371506805.db2.gz PIZNAVBJDIVCPI-QGZVFWFLSA-N 2 1 278.415 3.190 20 0 CGADMP C[NH+](CCCCF)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286474010 371506811 /nfs/dbraw/zinc/50/68/11/371506811.db2.gz PIZNAVBJDIVCPI-QGZVFWFLSA-N 2 1 278.415 3.190 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750858 371535355 /nfs/dbraw/zinc/53/53/55/371535355.db2.gz IDEXSBBIKMEHRC-VQIMIIECSA-N 2 1 284.447 3.482 20 0 CGADMP CCC(CC)[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000344036289 217020398 /nfs/dbraw/zinc/02/03/98/217020398.db2.gz SMILFDZSADKIAY-UHFFFAOYSA-N 2 1 251.418 3.482 20 0 CGADMP CCC(CC)[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000344036289 217020400 /nfs/dbraw/zinc/02/04/00/217020400.db2.gz SMILFDZSADKIAY-UHFFFAOYSA-N 2 1 251.418 3.482 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345436 214021281 /nfs/dbraw/zinc/02/12/81/214021281.db2.gz VBCQLKOYGRTHQV-LZLYRXPVSA-N 2 1 289.467 3.428 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345436 214021282 /nfs/dbraw/zinc/02/12/82/214021282.db2.gz VBCQLKOYGRTHQV-LZLYRXPVSA-N 2 1 289.467 3.428 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000422702095 371760364 /nfs/dbraw/zinc/76/03/64/371760364.db2.gz DDXIKUSSXIEGND-GFCCVEGCSA-N 2 1 287.382 3.262 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422708425 371761478 /nfs/dbraw/zinc/76/14/78/371761478.db2.gz XMZKATRUSOWKTM-ROUUACIJSA-N 2 1 268.404 3.460 20 0 CGADMP FC(F)(F)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422706290 371761800 /nfs/dbraw/zinc/76/18/00/371761800.db2.gz DURRHJJMUXQCJO-UONOGXRCSA-N 2 1 286.341 3.412 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000422755063 371786334 /nfs/dbraw/zinc/78/63/34/371786334.db2.gz FJEUSEPSRJMBMT-DOMZBBRYSA-N 2 1 268.351 3.148 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422772416 371796637 /nfs/dbraw/zinc/79/66/37/371796637.db2.gz YIMVZCZFVDEBDK-ZIAGYGMSSA-N 2 1 286.341 3.455 20 0 CGADMP COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422776242 371798598 /nfs/dbraw/zinc/79/85/98/371798598.db2.gz CJRPOGQJWSWETE-KBPBESRZSA-N 2 1 299.418 3.347 20 0 CGADMP C[C@H]([NH2+]CCc1ccccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000422777061 371799129 /nfs/dbraw/zinc/79/91/29/371799129.db2.gz FBLMMNCRTBOXHM-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422776244 371799632 /nfs/dbraw/zinc/79/96/32/371799632.db2.gz CJRPOGQJWSWETE-UONOGXRCSA-N 2 1 299.418 3.347 20 0 CGADMP CC[C@@H]1C[C@]1([NH2+]CCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000337379982 214040763 /nfs/dbraw/zinc/04/07/63/214040763.db2.gz CORAQMAKSSZPOO-SJLPKXTDSA-N 2 1 283.419 3.415 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422794990 371814123 /nfs/dbraw/zinc/81/41/23/371814123.db2.gz VDEPKESKQQKISP-IMJJTQAJSA-N 2 1 278.465 3.287 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3sccc3c2)CC[N@H+]1C ZINC000289947487 371859465 /nfs/dbraw/zinc/85/94/65/371859465.db2.gz WFOLLLABHHVTIQ-WFASDCNBSA-N 2 1 274.433 3.474 20 0 CGADMP Cc1ccc(Oc2ccccc2C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422854725 371840248 /nfs/dbraw/zinc/84/02/48/371840248.db2.gz BITLBVISLDLTLF-OAHLLOKOSA-N 2 1 296.414 3.485 20 0 CGADMP CCc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000422854453 371840823 /nfs/dbraw/zinc/84/08/23/371840823.db2.gz CUTFDMNFVHHMCD-DYVFJYSZSA-N 2 1 288.460 3.359 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C/C=C/c1ccccc1 ZINC000422975259 371897575 /nfs/dbraw/zinc/89/75/75/371897575.db2.gz GILSNOZKOPOQIY-KAHFJATQSA-N 2 1 280.415 3.248 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Nc1ccccc1 ZINC000422980244 371898880 /nfs/dbraw/zinc/89/88/80/371898880.db2.gz OYVOIOZFWJXCIM-RDTXWAMCSA-N 2 1 298.434 3.281 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](Nc1ccccc1)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422982587 371901248 /nfs/dbraw/zinc/90/12/48/371901248.db2.gz WZHDEUJUMMFDPA-FGTMMUONSA-N 2 1 289.467 3.243 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(F)c1F ZINC000423025448 371921765 /nfs/dbraw/zinc/92/17/65/371921765.db2.gz OHKMFUXDNZEXCU-SRVKXCTJSA-N 2 1 268.351 3.004 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423045995 371931293 /nfs/dbraw/zinc/93/12/93/371931293.db2.gz DSGGUIWUWHSKLJ-CVEARBPZSA-N 2 1 272.392 3.491 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423092609 371958014 /nfs/dbraw/zinc/95/80/14/371958014.db2.gz CQKVXDOGNOWWOW-DLKVLKDVSA-N 2 1 278.827 3.316 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)[C@@H]1CCC[NH2+]1 ZINC000423105721 371970349 /nfs/dbraw/zinc/97/03/49/371970349.db2.gz IOVKWLKFHSWKHQ-RDJZCZTQSA-N 2 1 271.408 3.097 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2sccc2Cl)C1 ZINC000290364866 371971874 /nfs/dbraw/zinc/97/18/74/371971874.db2.gz HDDFOXNELMYVJA-YPMHNXCESA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2sccc2Cl)C1 ZINC000290364866 371971883 /nfs/dbraw/zinc/97/18/83/371971883.db2.gz HDDFOXNELMYVJA-YPMHNXCESA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2sccc2Cl)C1 ZINC000290364866 371971893 /nfs/dbraw/zinc/97/18/93/371971893.db2.gz HDDFOXNELMYVJA-YPMHNXCESA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2sccc2Cl)C1 ZINC000290364866 371971902 /nfs/dbraw/zinc/97/19/02/371971902.db2.gz HDDFOXNELMYVJA-YPMHNXCESA-N 2 1 284.856 3.318 20 0 CGADMP CCOc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290366291 371972220 /nfs/dbraw/zinc/97/22/20/371972220.db2.gz HDRJOGCDBDMGPN-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP CCOc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290366291 371972230 /nfs/dbraw/zinc/97/22/30/371972230.db2.gz HDRJOGCDBDMGPN-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1c[nH+]ccc1N ZINC000423137390 371986860 /nfs/dbraw/zinc/98/68/60/371986860.db2.gz WKBLNKCFANMWCY-RYUDHWBXSA-N 2 1 283.366 3.360 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCc2ccccc21)c1c[nH+]ccc1N ZINC000423143639 371988013 /nfs/dbraw/zinc/98/80/13/371988013.db2.gz DNKRXHOVERTYCJ-ZFWWWQNUSA-N 2 1 281.403 3.265 20 0 CGADMP Fc1cc(F)c2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000423148599 371993084 /nfs/dbraw/zinc/99/30/84/371993084.db2.gz WCCBBKCIYSSQCO-IUMDCYBTSA-N 2 1 292.373 3.215 20 0 CGADMP Cc1csc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423159313 371995848 /nfs/dbraw/zinc/99/58/48/371995848.db2.gz XVAJXUDCWKZJKW-XJKSGUPXSA-N 2 1 274.433 3.105 20 0 CGADMP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c1 ZINC000423168877 372000251 /nfs/dbraw/zinc/00/02/51/372000251.db2.gz VDLLKWIJWFWHNV-VNQPRFMTSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423084259 371954565 /nfs/dbraw/zinc/95/45/65/371954565.db2.gz HHVOLEZWDXSWJV-OTYXRUKQSA-N 2 1 288.769 3.096 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1F ZINC000423187193 372015066 /nfs/dbraw/zinc/01/50/66/372015066.db2.gz XJYGDASEMJDCRQ-GFCCVEGCSA-N 2 1 280.387 3.147 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCC1 ZINC000423187329 372015484 /nfs/dbraw/zinc/01/54/84/372015484.db2.gz MLVOMNSMBDEQOR-KRWDZBQOSA-N 2 1 275.440 3.120 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000290575890 372021350 /nfs/dbraw/zinc/02/13/50/372021350.db2.gz UDBJAWALEFMSEB-KEYYUXOJSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000290575890 372021358 /nfs/dbraw/zinc/02/13/58/372021358.db2.gz UDBJAWALEFMSEB-KEYYUXOJSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000290575890 372021366 /nfs/dbraw/zinc/02/13/66/372021366.db2.gz UDBJAWALEFMSEB-KEYYUXOJSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000290575890 372021372 /nfs/dbraw/zinc/02/13/72/372021372.db2.gz UDBJAWALEFMSEB-KEYYUXOJSA-N 2 1 278.415 3.201 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000423277213 372046133 /nfs/dbraw/zinc/04/61/33/372046133.db2.gz NXVMWGUPVDCHCC-OLZOCXBDSA-N 2 1 285.218 3.308 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)C1CC1 ZINC000423311584 372049562 /nfs/dbraw/zinc/04/95/62/372049562.db2.gz CBIMUFKJRNJYHN-HOTGVXAUSA-N 2 1 278.827 3.434 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)C1CC1 ZINC000423311585 372049807 /nfs/dbraw/zinc/04/98/07/372049807.db2.gz CBIMUFKJRNJYHN-HZPDHXFCSA-N 2 1 278.827 3.434 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000158105111 372052368 /nfs/dbraw/zinc/05/23/68/372052368.db2.gz JKXORAHPXFRJAM-HZPDHXFCSA-N 2 1 274.452 3.284 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290515002 372007410 /nfs/dbraw/zinc/00/74/10/372007410.db2.gz PUNIKRUQUDUBQB-FXNRXUADSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290515002 372007418 /nfs/dbraw/zinc/00/74/18/372007418.db2.gz PUNIKRUQUDUBQB-FXNRXUADSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000290515002 372007432 /nfs/dbraw/zinc/00/74/32/372007432.db2.gz PUNIKRUQUDUBQB-FXNRXUADSA-N 2 1 288.410 3.255 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423182839 372010404 /nfs/dbraw/zinc/01/04/04/372010404.db2.gz FSJPTZGJAVBRJK-MRXNPFEDSA-N 2 1 275.440 3.120 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(F)cc(F)c1 ZINC000423183135 372011300 /nfs/dbraw/zinc/01/13/00/372011300.db2.gz RGRBGSDSFUXMBY-LLVKDONJSA-N 2 1 268.351 3.277 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423181417 372011531 /nfs/dbraw/zinc/01/15/31/372011531.db2.gz CQKIRBKEQSVMFX-ROUUACIJSA-N 2 1 289.467 3.366 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)CCC2 ZINC000423507414 372071165 /nfs/dbraw/zinc/07/11/65/372071165.db2.gz INADSVZNAVUXFR-ZWKOTPCHSA-N 2 1 288.435 3.180 20 0 CGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000158664270 372078927 /nfs/dbraw/zinc/07/89/27/372078927.db2.gz LAGDVTFDWVCXBQ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000158664270 372078931 /nfs/dbraw/zinc/07/89/31/372078931.db2.gz LAGDVTFDWVCXBQ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000158664270 372078937 /nfs/dbraw/zinc/07/89/37/372078937.db2.gz LAGDVTFDWVCXBQ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000158664270 372078941 /nfs/dbraw/zinc/07/89/41/372078941.db2.gz LAGDVTFDWVCXBQ-ZBFHGGJFSA-N 2 1 278.827 3.256 20 0 CGADMP Cc1ccccc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158682598 372080369 /nfs/dbraw/zinc/08/03/69/372080369.db2.gz BCZCNNWIMROLTP-MOPGFXCFSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccccc1CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158682598 372080374 /nfs/dbraw/zinc/08/03/74/372080374.db2.gz BCZCNNWIMROLTP-MOPGFXCFSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158682598 372080384 /nfs/dbraw/zinc/08/03/84/372080384.db2.gz BCZCNNWIMROLTP-MOPGFXCFSA-N 2 1 286.463 3.344 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccs1 ZINC000344292730 217135297 /nfs/dbraw/zinc/13/52/97/217135297.db2.gz GHIAGVVHSFAZRU-ZDUSSCGKSA-N 2 1 250.411 3.051 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000429039256 372308200 /nfs/dbraw/zinc/30/82/00/372308200.db2.gz HNCFYHYEFOSZPT-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000429039256 372308207 /nfs/dbraw/zinc/30/82/07/372308207.db2.gz HNCFYHYEFOSZPT-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000429039256 372308214 /nfs/dbraw/zinc/30/82/14/372308214.db2.gz HNCFYHYEFOSZPT-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161585557 372338563 /nfs/dbraw/zinc/33/85/63/372338563.db2.gz UFUYFRNCWWZREA-CJNGLKHVSA-N 2 1 292.854 3.301 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2n1)C[NH+](C)C ZINC000293309847 372351689 /nfs/dbraw/zinc/35/16/89/372351689.db2.gz FCOBWQKVDUMZQK-ZIAGYGMSSA-N 2 1 271.408 3.083 20 0 CGADMP C[C@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000430929954 372406634 /nfs/dbraw/zinc/40/66/34/372406634.db2.gz YRWSIKGZTUHTKO-GXTWGEPZSA-N 2 1 298.883 3.491 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOC2CCCCC2)[C@H](C)C1 ZINC000162987774 372438567 /nfs/dbraw/zinc/43/85/67/372438567.db2.gz BNBBQSLHYDZEFS-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CCc1nocc1C[N@@H+](C)CCCc1cnccc1C ZINC000293690616 372450803 /nfs/dbraw/zinc/45/08/03/372450803.db2.gz QQBXRUINMNFWQZ-UHFFFAOYSA-N 2 1 273.380 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccc(F)c1 ZINC000163615542 372482532 /nfs/dbraw/zinc/48/25/32/372482532.db2.gz NCRVNVOPEXBUAW-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cccc(F)c1 ZINC000163615542 372482538 /nfs/dbraw/zinc/48/25/38/372482538.db2.gz NCRVNVOPEXBUAW-UHFFFAOYSA-N 2 1 275.371 3.243 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163312913 372461914 /nfs/dbraw/zinc/46/19/14/372461914.db2.gz QNZDXYGMSZGIPD-ZWKOTPCHSA-N 2 1 287.451 3.047 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163312913 372461916 /nfs/dbraw/zinc/46/19/16/372461916.db2.gz QNZDXYGMSZGIPD-ZWKOTPCHSA-N 2 1 287.451 3.047 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163312913 372461918 /nfs/dbraw/zinc/46/19/18/372461918.db2.gz QNZDXYGMSZGIPD-ZWKOTPCHSA-N 2 1 287.451 3.047 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)[C@H](C)C1 ZINC000164460111 372519965 /nfs/dbraw/zinc/51/99/65/372519965.db2.gz FWEMJVUVOCALRL-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000165631803 372554534 /nfs/dbraw/zinc/55/45/34/372554534.db2.gz TYGCBOKTCBVECZ-CQSZACIVSA-N 2 1 287.407 3.331 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000166167897 372566497 /nfs/dbraw/zinc/56/64/97/372566497.db2.gz PNVLWMQHWFYYBH-GFCCVEGCSA-N 2 1 266.454 3.216 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000166168030 372566512 /nfs/dbraw/zinc/56/65/12/372566512.db2.gz PNVLWMQHWFYYBH-LBPRGKRZSA-N 2 1 266.454 3.216 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419374 372567617 /nfs/dbraw/zinc/56/76/17/372567617.db2.gz BGNWLQMEVLAVGH-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419374 372567623 /nfs/dbraw/zinc/56/76/23/372567623.db2.gz BGNWLQMEVLAVGH-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377646 372573057 /nfs/dbraw/zinc/57/30/57/372573057.db2.gz QQDWQEPOKLSAGF-ZOBUZTSGSA-N 2 1 298.434 3.006 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377646 372573066 /nfs/dbraw/zinc/57/30/66/372573066.db2.gz QQDWQEPOKLSAGF-ZOBUZTSGSA-N 2 1 298.434 3.006 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000433039470 372580373 /nfs/dbraw/zinc/58/03/73/372580373.db2.gz OCKCBIDJVOOXFP-DYVFJYSZSA-N 2 1 284.407 3.196 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000344489151 217208792 /nfs/dbraw/zinc/20/87/92/217208792.db2.gz XGAFGEHTOIIPTB-KBMXLJTQSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCSC(C)(C)CC1 ZINC000434691859 372702044 /nfs/dbraw/zinc/70/20/44/372702044.db2.gz BWFMHCUWIZZCNM-AWEZNQCLSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCSC(C)(C)CC1 ZINC000434691859 372702048 /nfs/dbraw/zinc/70/20/48/372702048.db2.gz BWFMHCUWIZZCNM-AWEZNQCLSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCSC(C)(C)CC1 ZINC000434691859 372702056 /nfs/dbraw/zinc/70/20/56/372702056.db2.gz BWFMHCUWIZZCNM-AWEZNQCLSA-N 2 1 270.486 3.078 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@H]12 ZINC000435391717 372757702 /nfs/dbraw/zinc/75/77/02/372757702.db2.gz XVCQTFGUHNOGIT-HYVNUMGLSA-N 2 1 282.387 3.116 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435389505 372757783 /nfs/dbraw/zinc/75/77/83/372757783.db2.gz KWGGRGIILVOWGH-OAHLLOKOSA-N 2 1 264.388 3.098 20 0 CGADMP CC[N@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435393811 372757903 /nfs/dbraw/zinc/75/79/03/372757903.db2.gz KXFXOFTZCBCTQJ-LBPRGKRZSA-N 2 1 286.341 3.068 20 0 CGADMP CC[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435393811 372757911 /nfs/dbraw/zinc/75/79/11/372757911.db2.gz KXFXOFTZCBCTQJ-LBPRGKRZSA-N 2 1 286.341 3.068 20 0 CGADMP CC[N@@H+](Cc1coc2ccccc12)[C@@H]1CCC[NH2+]CC1 ZINC000435395321 372758338 /nfs/dbraw/zinc/75/83/38/372758338.db2.gz SEUTYEZRGHKTAZ-OAHLLOKOSA-N 2 1 272.392 3.397 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)[NH+]1CCCC1 ZINC000353457490 220093566 /nfs/dbraw/zinc/09/35/66/220093566.db2.gz ZIOWHUMGBGUYAG-XHSDSOJGSA-N 2 1 270.436 3.225 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)CC[N@@H+]1C ZINC000438106894 372884745 /nfs/dbraw/zinc/88/47/45/372884745.db2.gz SYSHGONIXNKSRJ-OCCSQVGLSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3c(cccc3F)[nH]2)CC[N@H+]1C ZINC000438106894 372884754 /nfs/dbraw/zinc/88/47/54/372884754.db2.gz SYSHGONIXNKSRJ-OCCSQVGLSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)CC[NH+]1C ZINC000438106894 372884762 /nfs/dbraw/zinc/88/47/62/372884762.db2.gz SYSHGONIXNKSRJ-OCCSQVGLSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)CC[NH+]1C ZINC000438106894 372884770 /nfs/dbraw/zinc/88/47/70/372884770.db2.gz SYSHGONIXNKSRJ-OCCSQVGLSA-N 2 1 289.398 3.222 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCOc2ccccc2)CC[N@H+]1C ZINC000438182396 372906144 /nfs/dbraw/zinc/90/61/44/372906144.db2.gz HABYGPFSQXDYNC-SJORKVTESA-N 2 1 290.451 3.308 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000441452543 373019189 /nfs/dbraw/zinc/01/91/89/373019189.db2.gz WRIDOXOZUPCXQM-OAHLLOKOSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cs1 ZINC000296244968 373065821 /nfs/dbraw/zinc/06/58/21/373065821.db2.gz CTGFYRMFKWUAFO-UHFFFAOYSA-N 2 1 266.454 3.409 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCSc1ccccc1Cl ZINC000442777562 373077064 /nfs/dbraw/zinc/07/70/64/373077064.db2.gz DHRWKDOWRWGWOO-STQMWFEESA-N 2 1 298.883 3.491 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000442776732 373078464 /nfs/dbraw/zinc/07/84/64/373078464.db2.gz HULWSYFGLIEBBI-CHWSQXEVSA-N 2 1 266.454 3.399 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000353551730 220153361 /nfs/dbraw/zinc/15/33/61/220153361.db2.gz VWFJCIFVGULYQJ-JYJNAYRXSA-N 2 1 271.408 3.244 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000353551730 220153363 /nfs/dbraw/zinc/15/33/63/220153363.db2.gz VWFJCIFVGULYQJ-JYJNAYRXSA-N 2 1 271.408 3.244 20 0 CGADMP C[C@H]1C[C@@H](N(C)Cc2coc(-c3ccccc3)n2)CC[N@H+]1C ZINC000173527360 373153047 /nfs/dbraw/zinc/15/30/47/373153047.db2.gz YNLNIWRXOOTVKD-YOEHRIQHSA-N 2 1 299.418 3.256 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1c[nH]c2ccccc12 ZINC000442897187 373124936 /nfs/dbraw/zinc/12/49/36/373124936.db2.gz XTVJVWYRELZPNQ-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1c[nH]c2ccccc12 ZINC000442897187 373124951 /nfs/dbraw/zinc/12/49/51/373124951.db2.gz XTVJVWYRELZPNQ-UHFFFAOYSA-N 2 1 282.391 3.195 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CC(F)(F)F)C1 ZINC000444702298 373244704 /nfs/dbraw/zinc/24/47/04/373244704.db2.gz RDLDAPHQJSTXND-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444702298 373244709 /nfs/dbraw/zinc/24/47/09/373244709.db2.gz RDLDAPHQJSTXND-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444702298 373244713 /nfs/dbraw/zinc/24/47/13/373244713.db2.gz RDLDAPHQJSTXND-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000445207245 373297874 /nfs/dbraw/zinc/29/78/74/373297874.db2.gz IZHDMUHZOXCRLJ-BBRMVZONSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCc1ccc(Cl)cc1 ZINC000445207245 373297882 /nfs/dbraw/zinc/29/78/82/373297882.db2.gz IZHDMUHZOXCRLJ-BBRMVZONSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCc1ccc(Cl)cc1 ZINC000445207245 373297886 /nfs/dbraw/zinc/29/78/86/373297886.db2.gz IZHDMUHZOXCRLJ-BBRMVZONSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCc1ccc(Cl)cc1 ZINC000445207245 373297895 /nfs/dbraw/zinc/29/78/95/373297895.db2.gz IZHDMUHZOXCRLJ-BBRMVZONSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000445207245 373297906 /nfs/dbraw/zinc/29/79/06/373297906.db2.gz IZHDMUHZOXCRLJ-BBRMVZONSA-N 2 1 280.843 3.155 20 0 CGADMP Cc1ccc(SCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298352073 373300884 /nfs/dbraw/zinc/30/08/84/373300884.db2.gz JUXFMWPHJPEMOO-UHFFFAOYSA-N 2 1 290.476 3.304 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000298372611 373306580 /nfs/dbraw/zinc/30/65/80/373306580.db2.gz KVBTVYVKFREIKS-UHFFFAOYSA-N 2 1 283.419 3.108 20 0 CGADMP Clc1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298466118 373335920 /nfs/dbraw/zinc/33/59/20/373335920.db2.gz OQGANNNGBDOAQV-UHFFFAOYSA-N 2 1 278.827 3.099 20 0 CGADMP C[NH+](C)CC1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000448221965 373556291 /nfs/dbraw/zinc/55/62/91/373556291.db2.gz DSAQRFWNLIBAMY-UHFFFAOYSA-N 2 1 295.496 3.214 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000300239894 373621866 /nfs/dbraw/zinc/62/18/66/373621866.db2.gz NFEAOUXWIVOEMX-WCVJEAGWSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000300239894 373621871 /nfs/dbraw/zinc/62/18/71/373621871.db2.gz NFEAOUXWIVOEMX-WCVJEAGWSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000300410032 373626544 /nfs/dbraw/zinc/62/65/44/373626544.db2.gz DGPDFUPFVRYFGW-IMJJTQAJSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000300410032 373626550 /nfs/dbraw/zinc/62/65/50/373626550.db2.gz DGPDFUPFVRYFGW-IMJJTQAJSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH+]cc2Cl)C1 ZINC000176813041 373630220 /nfs/dbraw/zinc/63/02/20/373630220.db2.gz LJQOATZTMCACKT-GFCCVEGCSA-N 2 1 267.804 3.125 20 0 CGADMP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]cc2Cl)C1 ZINC000176813041 373630234 /nfs/dbraw/zinc/63/02/34/373630234.db2.gz LJQOATZTMCACKT-GFCCVEGCSA-N 2 1 267.804 3.125 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353646513 220221230 /nfs/dbraw/zinc/22/12/30/220221230.db2.gz IRMUZCPFIABJSC-QGZVFWFLSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353646513 220221233 /nfs/dbraw/zinc/22/12/33/220221233.db2.gz IRMUZCPFIABJSC-QGZVFWFLSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000353646513 220221237 /nfs/dbraw/zinc/22/12/37/220221237.db2.gz IRMUZCPFIABJSC-QGZVFWFLSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000353646513 220221242 /nfs/dbraw/zinc/22/12/42/220221242.db2.gz IRMUZCPFIABJSC-QGZVFWFLSA-N 2 1 278.415 3.440 20 0 CGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccoc1 ZINC000178401032 373774152 /nfs/dbraw/zinc/77/41/52/373774152.db2.gz GCUOLXRBLALTBS-TZMCWYRMSA-N 2 1 252.402 3.297 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccn1 ZINC000178411973 373774862 /nfs/dbraw/zinc/77/48/62/373774862.db2.gz XMFWBABZBWACAA-QGZVFWFLSA-N 2 1 275.440 3.244 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCCOC)C1 ZINC000178077489 373741390 /nfs/dbraw/zinc/74/13/90/373741390.db2.gz CUFNICZJADPWSC-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCCOC)C1 ZINC000178077489 373741397 /nfs/dbraw/zinc/74/13/97/373741397.db2.gz CUFNICZJADPWSC-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000449466218 373748003 /nfs/dbraw/zinc/74/80/03/373748003.db2.gz GEFRSIPECKKOPQ-ZNMIVQPWSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000178304742 373764972 /nfs/dbraw/zinc/76/49/72/373764972.db2.gz RIRCXEMXTCMZOI-XBFCOCLRSA-N 2 1 281.469 3.283 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)C2CCC2)s1 ZINC000449487544 373777629 /nfs/dbraw/zinc/77/76/29/373777629.db2.gz YZTKOXBKVHQSLK-UHFFFAOYSA-N 2 1 281.469 3.121 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(C)nc2C)C1 ZINC000178510950 373786383 /nfs/dbraw/zinc/78/63/83/373786383.db2.gz AWNHQARQWVLEQT-SMDDNHRTSA-N 2 1 281.469 3.142 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000178620703 373799307 /nfs/dbraw/zinc/79/93/07/373799307.db2.gz ZMNTZMLMPAESJG-SJLPKXTDSA-N 2 1 298.430 3.495 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000178620703 373799309 /nfs/dbraw/zinc/79/93/09/373799309.db2.gz ZMNTZMLMPAESJG-SJLPKXTDSA-N 2 1 298.430 3.495 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CCC(C)CC1 ZINC000179503367 373881341 /nfs/dbraw/zinc/88/13/41/373881341.db2.gz WRMTVZKCDYCSKI-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CCC(C)CC1 ZINC000179503367 373881346 /nfs/dbraw/zinc/88/13/46/373881346.db2.gz WRMTVZKCDYCSKI-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783467 373913189 /nfs/dbraw/zinc/91/31/89/373913189.db2.gz PGVFJLSTGMJPGD-NSHDSACASA-N 2 1 266.351 3.181 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783467 373913193 /nfs/dbraw/zinc/91/31/93/373913193.db2.gz PGVFJLSTGMJPGD-NSHDSACASA-N 2 1 266.351 3.181 20 0 CGADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000353668472 220240634 /nfs/dbraw/zinc/24/06/34/220240634.db2.gz GINLGYHRAQNZHH-BEAPCOKYSA-N 2 1 293.480 3.017 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2cc3ccccc3o2)CC[N@H+]1C ZINC000181089131 374078643 /nfs/dbraw/zinc/07/86/43/374078643.db2.gz RSKVMLMAVMNSOB-DZGCQCFKSA-N 2 1 272.392 3.048 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000305126000 374071988 /nfs/dbraw/zinc/07/19/88/374071988.db2.gz LFEPPSPWKIGKGA-SFHVURJKSA-N 2 1 296.499 3.172 20 0 CGADMP CCc1ccc2[nH+]ccc(N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2c1 ZINC000450431542 374125030 /nfs/dbraw/zinc/12/50/30/374125030.db2.gz ZWMKHFRWOJKNRR-KXBFYZLASA-N 2 1 295.430 3.328 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000181481163 374130286 /nfs/dbraw/zinc/13/02/86/374130286.db2.gz OHIBRBQBNILAHF-BHYGNILZSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC23CCC(CC2)C3)C1 ZINC000450456860 374141389 /nfs/dbraw/zinc/14/13/89/374141389.db2.gz ZDILQGFVEXADPG-IIIMJFFVSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000450456860 374141396 /nfs/dbraw/zinc/14/13/96/374141396.db2.gz ZDILQGFVEXADPG-IIIMJFFVSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450456860 374141402 /nfs/dbraw/zinc/14/14/02/374141402.db2.gz ZDILQGFVEXADPG-IIIMJFFVSA-N 2 1 276.468 3.230 20 0 CGADMP CCC[NH+]1CCC(N(C)C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450464682 374147961 /nfs/dbraw/zinc/14/79/61/374147961.db2.gz AXJRNKMALJVJJO-SFHVURJKSA-N 2 1 295.515 3.056 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000450595630 374162809 /nfs/dbraw/zinc/16/28/09/374162809.db2.gz FHKNWXHGDSWDSZ-DZKIICNBSA-N 2 1 298.421 3.371 20 0 CGADMP FC1(F)CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000450595630 374162820 /nfs/dbraw/zinc/16/28/20/374162820.db2.gz FHKNWXHGDSWDSZ-DZKIICNBSA-N 2 1 298.421 3.371 20 0 CGADMP FC1(F)CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000450595630 374162825 /nfs/dbraw/zinc/16/28/25/374162825.db2.gz FHKNWXHGDSWDSZ-DZKIICNBSA-N 2 1 298.421 3.371 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000181802877 374173990 /nfs/dbraw/zinc/17/39/90/374173990.db2.gz GHQREAQIQCDPKU-DOTOQJQBSA-N 2 1 274.452 3.427 20 0 CGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309973543 374204523 /nfs/dbraw/zinc/20/45/23/374204523.db2.gz PIXBVWSCSMYOLI-UHOSZYNNSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309973543 374204528 /nfs/dbraw/zinc/20/45/28/374204528.db2.gz PIXBVWSCSMYOLI-UHOSZYNNSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309973543 374204530 /nfs/dbraw/zinc/20/45/30/374204530.db2.gz PIXBVWSCSMYOLI-UHOSZYNNSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccsc2C)CC1 ZINC000310571722 374218740 /nfs/dbraw/zinc/21/87/40/374218740.db2.gz ZJCBVECKPOSJHJ-UHFFFAOYSA-N 2 1 252.427 3.021 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000452064168 374222749 /nfs/dbraw/zinc/22/27/49/374222749.db2.gz ZEXPWMNUTSZZOB-DZKIICNBSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)ccc2n1 ZINC000317788153 374342264 /nfs/dbraw/zinc/34/22/64/374342264.db2.gz DMOPIQMHOGNWJK-KRWDZBQOSA-N 2 1 297.446 3.363 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000183013808 374356320 /nfs/dbraw/zinc/35/63/20/374356320.db2.gz GRRALXYPLBZDAM-UHFFFAOYSA-N 2 1 295.496 3.430 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CCC1 ZINC000322497155 374352444 /nfs/dbraw/zinc/35/24/44/374352444.db2.gz CRBYFBDNKRQAPZ-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182999395 374353717 /nfs/dbraw/zinc/35/37/17/374353717.db2.gz UUWHAHIDNSUHEO-BZUAXINKSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1-n1cccn1 ZINC000183176310 374382661 /nfs/dbraw/zinc/38/26/61/374382661.db2.gz SHXDFJLGTCILGW-JKSUJKDBSA-N 2 1 298.434 3.007 20 0 CGADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453334918 374428054 /nfs/dbraw/zinc/42/80/54/374428054.db2.gz XLXQWSKUGGMSMI-QDBVJCLKSA-N 2 1 272.436 3.453 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1C ZINC000183740450 374448393 /nfs/dbraw/zinc/44/83/93/374448393.db2.gz MIJRRISFEGGZGI-HZPDHXFCSA-N 2 1 260.425 3.438 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000086906242 541942219 /nfs/dbraw/zinc/94/22/19/541942219.db2.gz PIKFHIRGGIEGPU-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000453407052 374474467 /nfs/dbraw/zinc/47/44/67/374474467.db2.gz RSDGXRBJOMUEEJ-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CCC1 ZINC000093608259 541982407 /nfs/dbraw/zinc/98/24/07/541982407.db2.gz RALVTBZTZGFZND-UHFFFAOYSA-N 2 1 290.451 3.390 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2coc3ccccc23)CC[N@@H+]1C ZINC000093643990 541983018 /nfs/dbraw/zinc/98/30/18/541983018.db2.gz LCTRMGVWHURMRR-ZFWWWQNUSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2coc3ccccc23)CC[N@H+]1C ZINC000093643990 541983022 /nfs/dbraw/zinc/98/30/22/541983022.db2.gz LCTRMGVWHURMRR-ZFWWWQNUSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2coc3ccccc23)CC[NH+]1C ZINC000093643990 541983025 /nfs/dbraw/zinc/98/30/25/541983025.db2.gz LCTRMGVWHURMRR-ZFWWWQNUSA-N 2 1 272.392 3.347 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2coc3ccccc23)CC[NH+]1C ZINC000093643990 541983029 /nfs/dbraw/zinc/98/30/29/541983029.db2.gz LCTRMGVWHURMRR-ZFWWWQNUSA-N 2 1 272.392 3.347 20 0 CGADMP CC(C)CCOCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665602 374707179 /nfs/dbraw/zinc/70/71/79/374707179.db2.gz YCRANBHYMBVRJJ-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000459746908 374818195 /nfs/dbraw/zinc/81/81/95/374818195.db2.gz ZHBXGYGKKIAUSB-DJIMGWMZSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000459781819 374821162 /nfs/dbraw/zinc/82/11/62/374821162.db2.gz MOQQCBVCFZSSPQ-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528254 541987877 /nfs/dbraw/zinc/98/78/77/541987877.db2.gz QADILYZGGUULHW-UKRRQHHQSA-N 2 1 258.409 3.123 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccsc2)CC1 ZINC000186935584 374941655 /nfs/dbraw/zinc/94/16/55/374941655.db2.gz XUKLKSKVZIOKOW-MRXNPFEDSA-N 2 1 278.465 3.412 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334672811 374962763 /nfs/dbraw/zinc/96/27/63/374962763.db2.gz YAKLVIQXAWXNOU-MRXNPFEDSA-N 2 1 282.497 3.078 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334672811 374962767 /nfs/dbraw/zinc/96/27/67/374962767.db2.gz YAKLVIQXAWXNOU-MRXNPFEDSA-N 2 1 282.497 3.078 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000464876950 374914023 /nfs/dbraw/zinc/91/40/23/374914023.db2.gz HUQAELDRMRWJMQ-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000464876950 374914030 /nfs/dbraw/zinc/91/40/30/374914030.db2.gz HUQAELDRMRWJMQ-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](CCc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000472747887 375031855 /nfs/dbraw/zinc/03/18/55/375031855.db2.gz JQYPWWPADRADCN-SFHVURJKSA-N 2 1 274.452 3.425 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000472748123 375032381 /nfs/dbraw/zinc/03/23/81/375032381.db2.gz ILWISOBGKBOEGX-ZWKOTPCHSA-N 2 1 272.436 3.350 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000474924682 375128851 /nfs/dbraw/zinc/12/88/51/375128851.db2.gz IOOVRYURURAJBB-FHWLQOOXSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000474924682 375128853 /nfs/dbraw/zinc/12/88/53/375128853.db2.gz IOOVRYURURAJBB-FHWLQOOXSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000474924682 375128856 /nfs/dbraw/zinc/12/88/56/375128856.db2.gz IOOVRYURURAJBB-FHWLQOOXSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000474924682 375128858 /nfs/dbraw/zinc/12/88/58/375128858.db2.gz IOOVRYURURAJBB-FHWLQOOXSA-N 2 1 286.463 3.452 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000474606490 375119592 /nfs/dbraw/zinc/11/95/92/375119592.db2.gz WGJYBWCSMQONRO-AWEZNQCLSA-N 2 1 278.415 3.210 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000474606490 375119597 /nfs/dbraw/zinc/11/95/97/375119597.db2.gz WGJYBWCSMQONRO-AWEZNQCLSA-N 2 1 278.415 3.210 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000474629745 375122901 /nfs/dbraw/zinc/12/29/01/375122901.db2.gz DIVUCDCLWASDBZ-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000474629745 375122907 /nfs/dbraw/zinc/12/29/07/375122907.db2.gz DIVUCDCLWASDBZ-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000487534151 375247940 /nfs/dbraw/zinc/24/79/40/375247940.db2.gz HFBHRTGHSSBKRB-AJNOYIKESA-N 2 1 287.451 3.052 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000487534152 375248474 /nfs/dbraw/zinc/24/84/74/375248474.db2.gz HFBHRTGHSSBKRB-LKIHTYOGSA-N 2 1 287.451 3.052 20 0 CGADMP CSCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000188714486 375258699 /nfs/dbraw/zinc/25/86/99/375258699.db2.gz XGSRQIZJZIKTLA-CZUORRHYSA-N 2 1 278.465 3.122 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)ccc2n1 ZINC000189702116 375436364 /nfs/dbraw/zinc/43/63/64/375436364.db2.gz QWTOQIGSQGQPSH-QGZVFWFLSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2cc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)ccc2n1 ZINC000189702116 375436368 /nfs/dbraw/zinc/43/63/68/375436368.db2.gz QWTOQIGSQGQPSH-QGZVFWFLSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2cc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)ccc2n1 ZINC000189702116 375436375 /nfs/dbraw/zinc/43/63/75/375436375.db2.gz QWTOQIGSQGQPSH-QGZVFWFLSA-N 2 1 297.446 3.317 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000336041228 375640313 /nfs/dbraw/zinc/64/03/13/375640313.db2.gz SYLIWASTFHJEJW-HIFRSBDPSA-N 2 1 276.399 3.146 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@H](C)C1 ZINC000336092327 375680916 /nfs/dbraw/zinc/68/09/16/375680916.db2.gz JELNMJRUHZVQEB-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3ncccc3c2)CC1 ZINC000336538533 375817111 /nfs/dbraw/zinc/81/71/11/375817111.db2.gz ZWXIDSVTGYPXNI-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192796749 375791528 /nfs/dbraw/zinc/79/15/28/375791528.db2.gz OYPVVWGGVZRLQJ-ALOPSCKCSA-N 2 1 286.463 3.487 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000519400572 375835233 /nfs/dbraw/zinc/83/52/33/375835233.db2.gz ISHNCDTYKFRTRS-IUCAKERBSA-N 2 1 261.196 3.209 20 0 CGADMP CCO[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000193430239 375875873 /nfs/dbraw/zinc/87/58/73/375875873.db2.gz KAHVDEYULQHPJM-NXHRZFHOSA-N 2 1 290.451 3.084 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193460981 375880980 /nfs/dbraw/zinc/88/09/80/375880980.db2.gz MTFIFUHBHFQBQK-AWEZNQCLSA-N 2 1 264.388 3.304 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193460981 375880985 /nfs/dbraw/zinc/88/09/85/375880985.db2.gz MTFIFUHBHFQBQK-AWEZNQCLSA-N 2 1 264.388 3.304 20 0 CGADMP CC[N@H+]1CC[C@H](CN[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000193494458 375886671 /nfs/dbraw/zinc/88/66/71/375886671.db2.gz RSSSSUAUFQNZEX-APWZRJJASA-N 2 1 295.430 3.102 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000336803621 375953449 /nfs/dbraw/zinc/95/34/49/375953449.db2.gz ZBMCICYPPJNAST-CYBMUJFWSA-N 2 1 255.365 3.158 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2[C@H]1C ZINC000336803621 375953453 /nfs/dbraw/zinc/95/34/53/375953453.db2.gz ZBMCICYPPJNAST-CYBMUJFWSA-N 2 1 255.365 3.158 20 0 CGADMP COC(C)(C)[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000336809259 375961143 /nfs/dbraw/zinc/96/11/43/375961143.db2.gz ULMXJPVQBDRJFO-CQSZACIVSA-N 2 1 270.461 3.044 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000336819268 375973785 /nfs/dbraw/zinc/97/37/85/375973785.db2.gz ZCDJUZZFKMPEJH-LBPRGKRZSA-N 2 1 278.465 3.204 20 0 CGADMP CSC[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336819149 375974072 /nfs/dbraw/zinc/97/40/72/375974072.db2.gz YNIWKNWCENJKHU-HNNXBMFYSA-N 2 1 281.469 3.047 20 0 CGADMP CSC[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336819149 375974078 /nfs/dbraw/zinc/97/40/78/375974078.db2.gz YNIWKNWCENJKHU-HNNXBMFYSA-N 2 1 281.469 3.047 20 0 CGADMP C[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336716906 375918034 /nfs/dbraw/zinc/91/80/34/375918034.db2.gz QDOYZPYCXDCJEE-YOEHRIQHSA-N 2 1 258.409 3.039 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)c1cccc(O)c1 ZINC000336838853 376000007 /nfs/dbraw/zinc/00/00/07/376000007.db2.gz RRPJRCSLNVMJBA-CQSZACIVSA-N 2 1 287.407 3.370 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)c1cccc(O)c1 ZINC000336838853 376000014 /nfs/dbraw/zinc/00/00/14/376000014.db2.gz RRPJRCSLNVMJBA-CQSZACIVSA-N 2 1 287.407 3.370 20 0 CGADMP CC(C)CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000211948054 376136111 /nfs/dbraw/zinc/13/61/11/376136111.db2.gz ZSUFFBKHNJSDGL-UHFFFAOYSA-N 2 1 272.436 3.343 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C)C1CCOCC1 ZINC000537951889 376211793 /nfs/dbraw/zinc/21/17/93/376211793.db2.gz IDPCCGHXRQNTDH-QZTJIDSGSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CC(C)C)C1CCOCC1 ZINC000537951889 376211794 /nfs/dbraw/zinc/21/17/94/376211794.db2.gz IDPCCGHXRQNTDH-QZTJIDSGSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000222771379 376240852 /nfs/dbraw/zinc/24/08/52/376240852.db2.gz SQJUPKJVEOBVJZ-CVEARBPZSA-N 2 1 278.440 3.455 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000226318276 376351331 /nfs/dbraw/zinc/35/13/31/376351331.db2.gz HLDQCROQFNKZIR-HOTGVXAUSA-N 2 1 262.441 3.328 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000226318276 376351336 /nfs/dbraw/zinc/35/13/36/376351336.db2.gz HLDQCROQFNKZIR-HOTGVXAUSA-N 2 1 262.441 3.328 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000338282013 376312502 /nfs/dbraw/zinc/31/25/02/376312502.db2.gz OZQNCCJQLYIKAX-CRAIPNDOSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000338282013 376312504 /nfs/dbraw/zinc/31/25/04/376312504.db2.gz OZQNCCJQLYIKAX-CRAIPNDOSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338306334 376326277 /nfs/dbraw/zinc/32/62/77/376326277.db2.gz NIWYEPDOWFHDBZ-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338306334 376326286 /nfs/dbraw/zinc/32/62/86/376326286.db2.gz NIWYEPDOWFHDBZ-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327175 376351261 /nfs/dbraw/zinc/35/12/61/376351261.db2.gz VJCKJRJPIFYZLG-RYUDHWBXSA-N 2 1 268.351 3.087 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccccc2)C[C@@H]1C ZINC000338547085 376421480 /nfs/dbraw/zinc/42/14/80/376421480.db2.gz QUUHFLAEXPTOJJ-RYQLBKOJSA-N 2 1 290.451 3.179 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)c2ccccc2)C[C@@H]1C ZINC000338547085 376421486 /nfs/dbraw/zinc/42/14/86/376421486.db2.gz QUUHFLAEXPTOJJ-RYQLBKOJSA-N 2 1 290.451 3.179 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)c2ccccc2)C[C@@H]1C ZINC000338547085 376421491 /nfs/dbraw/zinc/42/14/91/376421491.db2.gz QUUHFLAEXPTOJJ-RYQLBKOJSA-N 2 1 290.451 3.179 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)c2ccccc2)C[C@@H]1C ZINC000338547085 376421495 /nfs/dbraw/zinc/42/14/95/376421495.db2.gz QUUHFLAEXPTOJJ-RYQLBKOJSA-N 2 1 290.451 3.179 20 0 CGADMP CC[C@H](C)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000540070177 376356147 /nfs/dbraw/zinc/35/61/47/376356147.db2.gz ZHNCXTBZAPMWKX-HRCADAONSA-N 2 1 254.462 3.380 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000540151288 376359378 /nfs/dbraw/zinc/35/93/78/376359378.db2.gz MLFWKMKUKBWENM-GOEBONIOSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000226448355 376359652 /nfs/dbraw/zinc/35/96/52/376359652.db2.gz DWPUTTASXRYQMM-AWEZNQCLSA-N 2 1 266.816 3.222 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000226435708 376359842 /nfs/dbraw/zinc/35/98/42/376359842.db2.gz XPNOXJNJGWAFNA-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540152259 376361327 /nfs/dbraw/zinc/36/13/27/376361327.db2.gz TURJIFSWRIIBOO-IAGOWNOFSA-N 2 1 284.488 3.005 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000540181144 376361851 /nfs/dbraw/zinc/36/18/51/376361851.db2.gz MUDWNCBCBOLASK-LRDDRELGSA-N 2 1 298.833 3.342 20 0 CGADMP CCCC(CCC)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540173473 376362393 /nfs/dbraw/zinc/36/23/93/376362393.db2.gz GCWNUIAWCJHBFL-IYBDPMFKSA-N 2 1 284.488 3.434 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1(C)C ZINC000540596816 376384240 /nfs/dbraw/zinc/38/42/40/376384240.db2.gz WCPABZBDAHCTTI-LUKYLMHMSA-N 2 1 294.483 3.187 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1(C)C ZINC000540596816 376384245 /nfs/dbraw/zinc/38/42/45/376384245.db2.gz WCPABZBDAHCTTI-LUKYLMHMSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000541537884 376456143 /nfs/dbraw/zinc/45/61/43/376456143.db2.gz SVWKRUVSKHCQGU-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000541537884 376456151 /nfs/dbraw/zinc/45/61/51/376456151.db2.gz SVWKRUVSKHCQGU-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000541537884 376456161 /nfs/dbraw/zinc/45/61/61/376456161.db2.gz SVWKRUVSKHCQGU-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]21 ZINC000230126428 376485148 /nfs/dbraw/zinc/48/51/48/376485148.db2.gz QKYVVHGRVGVGPQ-OWCLPIDISA-N 2 1 250.430 3.016 20 0 CGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000230767113 376540513 /nfs/dbraw/zinc/54/05/13/376540513.db2.gz OFWSSEJIGNUJIZ-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000233460299 376596733 /nfs/dbraw/zinc/59/67/33/376596733.db2.gz DNEOBJMZHNQVNH-QGZVFWFLSA-N 2 1 276.424 3.091 20 0 CGADMP CC(C)C1CC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000232536821 376582798 /nfs/dbraw/zinc/58/27/98/376582798.db2.gz ILKZZEXJTLAQSX-FHERZECASA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000542840411 376585155 /nfs/dbraw/zinc/58/51/55/376585155.db2.gz HXFYOCCENPWEAF-JKSUJKDBSA-N 2 1 260.425 3.064 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000542840410 376586103 /nfs/dbraw/zinc/58/61/03/376586103.db2.gz HXFYOCCENPWEAF-HZPDHXFCSA-N 2 1 260.425 3.064 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC000543705245 376668144 /nfs/dbraw/zinc/66/81/44/376668144.db2.gz QRDONWNKUDGEQA-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC000543705245 376668153 /nfs/dbraw/zinc/66/81/53/376668153.db2.gz QRDONWNKUDGEQA-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC000543705245 376668160 /nfs/dbraw/zinc/66/81/60/376668160.db2.gz QRDONWNKUDGEQA-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC000543705245 376668170 /nfs/dbraw/zinc/66/81/70/376668170.db2.gz QRDONWNKUDGEQA-BZUAXINKSA-N 2 1 264.457 3.229 20 0 CGADMP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C[C@H]2C1 ZINC000339076650 376663117 /nfs/dbraw/zinc/66/31/17/376663117.db2.gz WIAIYIBQZCIVBL-NQNKBUKLSA-N 2 1 262.441 3.172 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000236919534 376712882 /nfs/dbraw/zinc/71/28/82/376712882.db2.gz TUTFMNGQXBCIDI-UHFFFAOYSA-N 2 1 274.433 3.475 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000237537737 376749428 /nfs/dbraw/zinc/74/94/28/376749428.db2.gz GVSXWOVEYGINCU-CQSZACIVSA-N 2 1 264.413 3.190 20 0 CGADMP Cc1ccc(CCC[N@@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000339407299 376750647 /nfs/dbraw/zinc/75/06/47/376750647.db2.gz JENPSHUZLNOOJO-UHFFFAOYSA-N 2 1 297.446 3.174 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000156516001 542128769 /nfs/dbraw/zinc/12/87/69/542128769.db2.gz VQRSLVGQGZHYLE-DOTOQJQBSA-N 2 1 287.451 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC=CCC2)[C@H](C)C1 ZINC000245713979 376886123 /nfs/dbraw/zinc/88/61/23/376886123.db2.gz GMVZQJFTSITUDC-OAGGEKHMSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC=CCC2)[C@H](C)C1 ZINC000245713979 376886130 /nfs/dbraw/zinc/88/61/30/376886130.db2.gz GMVZQJFTSITUDC-OAGGEKHMSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC=CCC2)[C@H](C)C1 ZINC000245713979 376886134 /nfs/dbraw/zinc/88/61/34/376886134.db2.gz GMVZQJFTSITUDC-OAGGEKHMSA-N 2 1 250.430 3.005 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H]2CCC[C@H]21 ZINC000556865766 376892321 /nfs/dbraw/zinc/89/23/21/376892321.db2.gz GHJQBONCBHRQTQ-CWRNSKLLSA-N 2 1 278.827 3.302 20 0 CGADMP Cc1ccc2oc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cc2c1 ZINC000557796508 376956526 /nfs/dbraw/zinc/95/65/26/376956526.db2.gz PZPIYCUISCJTRQ-BBRMVZONSA-N 2 1 272.392 3.171 20 0 CGADMP Cc1ccc2oc(CN[C@H]3CC[N@H+](C)C[C@H]3C)cc2c1 ZINC000557796509 376956622 /nfs/dbraw/zinc/95/66/22/376956622.db2.gz PZPIYCUISCJTRQ-CJNGLKHVSA-N 2 1 272.392 3.171 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246414405 377026435 /nfs/dbraw/zinc/02/64/35/377026435.db2.gz BTCXMKNJNRPEFQ-PKOBYXMFSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246414405 377026438 /nfs/dbraw/zinc/02/64/38/377026438.db2.gz BTCXMKNJNRPEFQ-PKOBYXMFSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246414405 377026439 /nfs/dbraw/zinc/02/64/39/377026439.db2.gz BTCXMKNJNRPEFQ-PKOBYXMFSA-N 2 1 284.447 3.444 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccc(Cl)o2)C1 ZINC000340401098 377037043 /nfs/dbraw/zinc/03/70/43/377037043.db2.gz RKHSYTWKIMUXSY-BETUJISGSA-N 2 1 284.831 3.391 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000246544706 377050298 /nfs/dbraw/zinc/05/02/98/377050298.db2.gz WEXQDJGUCOXJCZ-CABCVRRESA-N 2 1 264.413 3.298 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000246544706 377050301 /nfs/dbraw/zinc/05/03/01/377050301.db2.gz WEXQDJGUCOXJCZ-CABCVRRESA-N 2 1 264.413 3.298 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000246878821 377110453 /nfs/dbraw/zinc/11/04/53/377110453.db2.gz DWEPDTYESPDEGS-ZIFCJYIRSA-N 2 1 288.479 3.473 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000246886872 377111925 /nfs/dbraw/zinc/11/19/25/377111925.db2.gz FFUBXIHNJJPGES-BFYDXBDKSA-N 2 1 260.425 3.122 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2OC)C1 ZINC000246932440 377122354 /nfs/dbraw/zinc/12/23/54/377122354.db2.gz HFCLPQJYFFJURY-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2OC)C1 ZINC000246932440 377122364 /nfs/dbraw/zinc/12/23/64/377122364.db2.gz HFCLPQJYFFJURY-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1C ZINC000246594502 377057911 /nfs/dbraw/zinc/05/79/11/377057911.db2.gz ZRMXOJFHEYAFHJ-GVDBMIGSSA-N 2 1 290.451 3.225 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000559268537 377077098 /nfs/dbraw/zinc/07/70/98/377077098.db2.gz MPDLBOCGQIKERT-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000559268537 377077106 /nfs/dbraw/zinc/07/71/06/377077106.db2.gz MPDLBOCGQIKERT-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000247055733 377150063 /nfs/dbraw/zinc/15/00/63/377150063.db2.gz NMCBJTAUTVLGNO-YJBOKZPZSA-N 2 1 290.451 3.041 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000340659696 377196807 /nfs/dbraw/zinc/19/68/07/377196807.db2.gz KHEUKSNBPKWHIG-UHFFFAOYSA-N 2 1 291.439 3.106 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000247093694 377157611 /nfs/dbraw/zinc/15/76/11/377157611.db2.gz PNXOYXHSHLNBLV-YOEHRIQHSA-N 2 1 272.436 3.340 20 0 CGADMP COCCC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247142984 377166926 /nfs/dbraw/zinc/16/69/26/377166926.db2.gz SJPYXUWPIPJVDX-IXDOHACOSA-N 2 1 284.488 3.149 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)Cc2ccsc2)C1 ZINC000561704164 377240156 /nfs/dbraw/zinc/24/01/56/377240156.db2.gz VTJPPHITOPVZMG-ZBFHGGJFSA-N 2 1 280.481 3.343 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000247993952 377256092 /nfs/dbraw/zinc/25/60/92/377256092.db2.gz JTFKWSKFMLBWKR-YJBOKZPZSA-N 2 1 299.462 3.420 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248417502 377314804 /nfs/dbraw/zinc/31/48/04/377314804.db2.gz RHUCNPSVZWAGKP-XOYOTBSWSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248148769 377272493 /nfs/dbraw/zinc/27/24/93/377272493.db2.gz QMONEGZKPCYZIE-BRWVUGGUSA-N 2 1 290.451 3.082 20 0 CGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccoc2)[C@@H](C)C1 ZINC000248197991 377280725 /nfs/dbraw/zinc/28/07/25/377280725.db2.gz XSCWMGOCMFYXLQ-UXLLHSPISA-N 2 1 294.439 3.067 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccoc2)[C@@H](C)C1 ZINC000248197991 377280730 /nfs/dbraw/zinc/28/07/30/377280730.db2.gz XSCWMGOCMFYXLQ-UXLLHSPISA-N 2 1 294.439 3.067 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000563365837 377451408 /nfs/dbraw/zinc/45/14/08/377451408.db2.gz NYZGCCWIKXBVRJ-CVEARBPZSA-N 2 1 277.456 3.499 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000563365837 377451414 /nfs/dbraw/zinc/45/14/14/377451414.db2.gz NYZGCCWIKXBVRJ-CVEARBPZSA-N 2 1 277.456 3.499 20 0 CGADMP FCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563119675 377402671 /nfs/dbraw/zinc/40/26/71/377402671.db2.gz DCUCQXLBVWFUGP-INIZCTEOSA-N 2 1 276.399 3.133 20 0 CGADMP FCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563119675 377402678 /nfs/dbraw/zinc/40/26/78/377402678.db2.gz DCUCQXLBVWFUGP-INIZCTEOSA-N 2 1 276.399 3.133 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC(C)(C)CC2)CCOCC1 ZINC000563442044 377466249 /nfs/dbraw/zinc/46/62/49/377466249.db2.gz VYOJVTZEJFHCJW-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1nccnc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000249203571 377478190 /nfs/dbraw/zinc/47/81/90/377478190.db2.gz USKPELCAXGRDBZ-CABCVRRESA-N 2 1 290.455 3.090 20 0 CGADMP CC(C)CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000085400575 249014684 /nfs/dbraw/zinc/01/46/84/249014684.db2.gz RMYWCOAMDHNTRY-IRXDYDNUSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000090721559 249029460 /nfs/dbraw/zinc/02/94/60/249029460.db2.gz ZVGTZUQHRRNZMQ-KBXCAEBGSA-N 2 1 268.404 3.412 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000094826223 249042120 /nfs/dbraw/zinc/04/21/20/249042120.db2.gz YKRKVEWDWGSVPL-ZDUSSCGKSA-N 2 1 282.378 3.491 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166456133 542175400 /nfs/dbraw/zinc/17/54/00/542175400.db2.gz ABMZXRGWZYTHMC-IAGOWNOFSA-N 2 1 284.447 3.243 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1C ZINC000313805039 249093104 /nfs/dbraw/zinc/09/31/04/249093104.db2.gz GXYGMXHKGQIEAF-KZNAEPCWSA-N 2 1 287.451 3.099 20 0 CGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C2CC2)c1 ZINC000250075001 377548366 /nfs/dbraw/zinc/54/83/66/377548366.db2.gz JKYZYYYWNMFUQT-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459389204 249149211 /nfs/dbraw/zinc/14/92/11/249149211.db2.gz MVASUKIWUWPUME-LRVUVFPRSA-N 2 1 263.429 3.242 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000573699987 377564957 /nfs/dbraw/zinc/56/49/57/377564957.db2.gz SJNSOBCOGOCKHW-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000469860617 249160074 /nfs/dbraw/zinc/16/00/74/249160074.db2.gz GGJQFHJHZWXEPC-GDBMZVCRSA-N 2 1 276.424 3.035 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000469862267 249160219 /nfs/dbraw/zinc/16/02/19/249160219.db2.gz MXGZYZNWYHAZHY-CABCVRRESA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470020160 249165793 /nfs/dbraw/zinc/16/57/93/249165793.db2.gz XCUYQQRYYBJVMQ-YJJAZYOBSA-N 2 1 286.463 3.470 20 0 CGADMP c1ccc2cc(CC[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000428047078 249131313 /nfs/dbraw/zinc/13/13/13/249131313.db2.gz XGPCFXWAVKQMMR-MOPGFXCFSA-N 2 1 280.415 3.066 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000573741620 377568936 /nfs/dbraw/zinc/56/89/36/377568936.db2.gz RRBXJYNKSCJZGW-SFHVURJKSA-N 2 1 283.419 3.016 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000573741620 377568940 /nfs/dbraw/zinc/56/89/40/377568940.db2.gz RRBXJYNKSCJZGW-SFHVURJKSA-N 2 1 283.419 3.016 20 0 CGADMP C(C[N@H+]1CCC[C@@H]1C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000250896655 377569687 /nfs/dbraw/zinc/56/96/87/377569687.db2.gz ABKSIJKACBKIQV-GDBMZVCRSA-N 2 1 250.430 3.031 20 0 CGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250841839 377567764 /nfs/dbraw/zinc/56/77/64/377567764.db2.gz FWZNAHSMWAJWBQ-DZKIICNBSA-N 2 1 288.460 3.440 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000251481362 377584250 /nfs/dbraw/zinc/58/42/50/377584250.db2.gz ORCNUOQVAHXNFH-CHPDAQJUSA-N 2 1 284.447 3.457 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)CC(C)C ZINC000515506710 249213448 /nfs/dbraw/zinc/21/34/48/249213448.db2.gz BVPHSXOAHAXUOM-NXOAAHMSSA-N 2 1 296.499 3.146 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251599708 377590190 /nfs/dbraw/zinc/59/01/90/377590190.db2.gz YZUFKTITFLLNSR-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000518211174 249276796 /nfs/dbraw/zinc/27/67/96/249276796.db2.gz CQMLRTHFPSIGEG-LBPRGKRZSA-N 2 1 292.452 3.119 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000518211174 249276797 /nfs/dbraw/zinc/27/67/97/249276797.db2.gz CQMLRTHFPSIGEG-LBPRGKRZSA-N 2 1 292.452 3.119 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251904743 377606260 /nfs/dbraw/zinc/60/62/60/377606260.db2.gz WSDXGWFPJCARBY-JTNHKYCSSA-N 2 1 286.341 3.436 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251843627 377599826 /nfs/dbraw/zinc/59/98/26/377599826.db2.gz LVQQKPHZPJNHNB-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccnc2ccccc12 ZINC000574202281 377632751 /nfs/dbraw/zinc/63/27/51/377632751.db2.gz ZNRSHYSRUSRXMD-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccnc2ccccc12 ZINC000574202281 377632755 /nfs/dbraw/zinc/63/27/55/377632755.db2.gz ZNRSHYSRUSRXMD-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccnc2ccccc12 ZINC000574202281 377632763 /nfs/dbraw/zinc/63/27/63/377632763.db2.gz ZNRSHYSRUSRXMD-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccnc2ccccc12 ZINC000574202281 377632768 /nfs/dbraw/zinc/63/27/68/377632768.db2.gz ZNRSHYSRUSRXMD-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252673717 377650757 /nfs/dbraw/zinc/65/07/57/377650757.db2.gz LLYJREQYBFWMSV-CABCVRRESA-N 2 1 276.449 3.125 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252714891 377654133 /nfs/dbraw/zinc/65/41/33/377654133.db2.gz TZNQIYKWYSNHFS-HMDCTGQHSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252714891 377654137 /nfs/dbraw/zinc/65/41/37/377654137.db2.gz TZNQIYKWYSNHFS-HMDCTGQHSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253193870 377681007 /nfs/dbraw/zinc/68/10/07/377681007.db2.gz PEFDWVFSWCRNBI-MBNYWOFBSA-N 2 1 266.816 3.318 20 0 CGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000253296192 377683173 /nfs/dbraw/zinc/68/31/73/377683173.db2.gz OAWWJJYJQKWVGH-RBSFLKMASA-N 2 1 270.486 3.125 20 0 CGADMP CC(C)[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000574887961 377721110 /nfs/dbraw/zinc/72/11/10/377721110.db2.gz IUSWJOYMQJUQRV-HNNXBMFYSA-N 2 1 263.429 3.111 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000574887961 377721112 /nfs/dbraw/zinc/72/11/12/377721112.db2.gz IUSWJOYMQJUQRV-HNNXBMFYSA-N 2 1 263.429 3.111 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261584779 377823279 /nfs/dbraw/zinc/82/32/79/377823279.db2.gz IAIDDWVQBSIKNA-GXTWGEPZSA-N 2 1 278.465 3.229 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261584779 377823282 /nfs/dbraw/zinc/82/32/82/377823282.db2.gz IAIDDWVQBSIKNA-GXTWGEPZSA-N 2 1 278.465 3.229 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583700 377823294 /nfs/dbraw/zinc/82/32/94/377823294.db2.gz RVUXLJKJTAGACR-ZFWWWQNUSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261598169 377827043 /nfs/dbraw/zinc/82/70/43/377827043.db2.gz ATQKNVUUZCSHPW-DOMZBBRYSA-N 2 1 298.352 3.452 20 0 CGADMP Fc1ccc([C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)c(F)c1 ZINC000261638466 377830614 /nfs/dbraw/zinc/83/06/14/377830614.db2.gz AAVTWRNXBWXKNH-QGZVFWFLSA-N 2 1 294.389 3.491 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)CC[NH2+]C1 ZINC000261681805 377839352 /nfs/dbraw/zinc/83/93/52/377839352.db2.gz AHOMJCLNZLWRNG-WBVHZDCISA-N 2 1 290.476 3.100 20 0 CGADMP N[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000261981674 377875305 /nfs/dbraw/zinc/87/53/05/377875305.db2.gz OFPQOWWTVYKGEG-OTWHNJEPSA-N 2 1 296.389 3.240 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261984003 377875386 /nfs/dbraw/zinc/87/53/86/377875386.db2.gz RWJBLLCWSWGYJT-MRXNPFEDSA-N 2 1 298.430 3.279 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262010846 377878682 /nfs/dbraw/zinc/87/86/82/377878682.db2.gz MFZXANZEMCFNSY-XYPHTWIQSA-N 2 1 276.399 3.208 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262060519 377884032 /nfs/dbraw/zinc/88/40/32/377884032.db2.gz RCBMHVZDNZLMAJ-HNNXBMFYSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262134573 377888841 /nfs/dbraw/zinc/88/88/41/377888841.db2.gz YNNUPRHALFCUOM-QAPCUYQASA-N 2 1 290.426 3.395 20 0 CGADMP CCOc1ccc2c(c1)CC[N@H+](CCCn1ccnc1C)C2 ZINC000342864205 377846741 /nfs/dbraw/zinc/84/67/41/377846741.db2.gz MHFFMSCQDNEPQS-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP CCOc1ccc2c(c1)CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000342864205 377846755 /nfs/dbraw/zinc/84/67/55/377846755.db2.gz MHFFMSCQDNEPQS-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000261772144 377850990 /nfs/dbraw/zinc/85/09/90/377850990.db2.gz DSXOHPVGSFHHRW-KBPBESRZSA-N 2 1 280.843 3.375 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000261772144 377850996 /nfs/dbraw/zinc/85/09/96/377850996.db2.gz DSXOHPVGSFHHRW-KBPBESRZSA-N 2 1 280.843 3.375 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261781035 377853749 /nfs/dbraw/zinc/85/37/49/377853749.db2.gz PMUMLHFJZMULAC-LZQZEXGQSA-N 2 1 280.415 3.422 20 0 CGADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261809334 377857703 /nfs/dbraw/zinc/85/77/03/377857703.db2.gz HNYHTZUTHUPBEH-SOLBZPMBSA-N 2 1 272.436 3.172 20 0 CGADMP CC(C)c1ccc(CC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000575837593 377995149 /nfs/dbraw/zinc/99/51/49/377995149.db2.gz GHMQTJIAVMUKDC-UHFFFAOYSA-N 2 1 262.441 3.236 20 0 CGADMP CCC[C@]1(C)CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000578451035 378071752 /nfs/dbraw/zinc/07/17/52/378071752.db2.gz SBFQRAHCIUIQGL-MRXNPFEDSA-N 2 1 263.429 3.255 20 0 CGADMP CCC[C@]1(C)CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000578451035 378071755 /nfs/dbraw/zinc/07/17/55/378071755.db2.gz SBFQRAHCIUIQGL-MRXNPFEDSA-N 2 1 263.429 3.255 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000578517179 378077504 /nfs/dbraw/zinc/07/75/04/378077504.db2.gz VMAYFCGOZYOKIE-VIQHNZTISA-N 2 1 264.457 3.418 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000268799040 378114709 /nfs/dbraw/zinc/11/47/09/378114709.db2.gz ITXMAYUIKKUCMT-AWEZNQCLSA-N 2 1 287.407 3.331 20 0 CGADMP CO[C@H](C)CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000343904895 378129803 /nfs/dbraw/zinc/12/98/03/378129803.db2.gz AERIOFSMNAVWIP-MRXNPFEDSA-N 2 1 292.467 3.159 20 0 CGADMP CCS[C@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000579370291 378154184 /nfs/dbraw/zinc/15/41/84/378154184.db2.gz DBQJOXDYTOYARU-CABCVRRESA-N 2 1 281.469 3.007 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(O)CCCC2)cc1 ZINC000268868020 378136448 /nfs/dbraw/zinc/13/64/48/378136448.db2.gz HWBICNSFZWKAAU-CQSZACIVSA-N 2 1 299.418 3.136 20 0 CGADMP CC(C)[C@@H](C[NH2+]CCC[NH+]1CCC1)c1ccccc1 ZINC000579374743 378155010 /nfs/dbraw/zinc/15/50/10/378155010.db2.gz XKRPRHLXZJUWLA-QGZVFWFLSA-N 2 1 260.425 3.112 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000579353655 378152934 /nfs/dbraw/zinc/15/29/34/378152934.db2.gz GUCFIQQEAYZMCM-YOEHRIQHSA-N 2 1 276.399 3.005 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000269113053 378189389 /nfs/dbraw/zinc/18/93/89/378189389.db2.gz VZLHOAPLYREJIJ-RVKKMQEKSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000269113053 378189392 /nfs/dbraw/zinc/18/93/92/378189392.db2.gz VZLHOAPLYREJIJ-RVKKMQEKSA-N 2 1 272.436 3.428 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccc(F)cc2)CC1 ZINC000269132979 378190760 /nfs/dbraw/zinc/19/07/60/378190760.db2.gz NMBCFWDBXRHSHP-GOSISDBHSA-N 2 1 288.410 3.399 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccc(F)cc2)CC1 ZINC000269132979 378190764 /nfs/dbraw/zinc/19/07/64/378190764.db2.gz NMBCFWDBXRHSHP-GOSISDBHSA-N 2 1 288.410 3.399 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000269132979 378190767 /nfs/dbraw/zinc/19/07/67/378190767.db2.gz NMBCFWDBXRHSHP-GOSISDBHSA-N 2 1 288.410 3.399 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000269132979 378190769 /nfs/dbraw/zinc/19/07/69/378190769.db2.gz NMBCFWDBXRHSHP-GOSISDBHSA-N 2 1 288.410 3.399 20 0 CGADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000345159246 378208159 /nfs/dbraw/zinc/20/81/59/378208159.db2.gz GMATUZUTTGAFJQ-UONOGXRCSA-N 2 1 269.392 3.154 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)C1 ZINC000580037819 378218433 /nfs/dbraw/zinc/21/84/33/378218433.db2.gz SXOKJKVPAWOFAY-YVSFHVDLSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000580037819 378218436 /nfs/dbraw/zinc/21/84/36/378218436.db2.gz SXOKJKVPAWOFAY-YVSFHVDLSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000580037819 378218441 /nfs/dbraw/zinc/21/84/41/378218441.db2.gz SXOKJKVPAWOFAY-YVSFHVDLSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000580037819 378218446 /nfs/dbraw/zinc/21/84/46/378218446.db2.gz SXOKJKVPAWOFAY-YVSFHVDLSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000580037819 378218451 /nfs/dbraw/zinc/21/84/51/378218451.db2.gz SXOKJKVPAWOFAY-YVSFHVDLSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000580037816 378218654 /nfs/dbraw/zinc/21/86/54/378218654.db2.gz SXOKJKVPAWOFAY-NCOADZHNSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000580037816 378218655 /nfs/dbraw/zinc/21/86/55/378218655.db2.gz SXOKJKVPAWOFAY-NCOADZHNSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000580037816 378218656 /nfs/dbraw/zinc/21/86/56/378218656.db2.gz SXOKJKVPAWOFAY-NCOADZHNSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000580037816 378218660 /nfs/dbraw/zinc/21/86/60/378218660.db2.gz SXOKJKVPAWOFAY-NCOADZHNSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000580037816 378218664 /nfs/dbraw/zinc/21/86/64/378218664.db2.gz SXOKJKVPAWOFAY-NCOADZHNSA-N 2 1 266.473 3.475 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269031487 378176908 /nfs/dbraw/zinc/17/69/08/378176908.db2.gz DSHRCUUMDUSJLV-HPFXQQBRSA-N 2 1 290.451 3.053 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269031487 378176912 /nfs/dbraw/zinc/17/69/12/378176912.db2.gz DSHRCUUMDUSJLV-HPFXQQBRSA-N 2 1 290.451 3.053 20 0 CGADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000269856793 378273630 /nfs/dbraw/zinc/27/36/30/378273630.db2.gz HJPNBYRSLPXKCO-BZNIZROVSA-N 2 1 292.373 3.026 20 0 CGADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000269856793 378273634 /nfs/dbraw/zinc/27/36/34/378273634.db2.gz HJPNBYRSLPXKCO-BZNIZROVSA-N 2 1 292.373 3.026 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2C=CCCCCC2)CC1 ZINC000565435394 322077923 /nfs/dbraw/zinc/07/79/23/322077923.db2.gz VEARPTPRDZOOPD-CVEARBPZSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000583322520 378322780 /nfs/dbraw/zinc/32/27/80/378322780.db2.gz MTRGFZNIKBURQU-TZMCWYRMSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000583322520 378322785 /nfs/dbraw/zinc/32/27/85/378322785.db2.gz MTRGFZNIKBURQU-TZMCWYRMSA-N 2 1 293.480 3.360 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(Cl)ccc2F)C1 ZINC000583591842 378333578 /nfs/dbraw/zinc/33/35/78/378333578.db2.gz ILJMLLWRCVFPHZ-LRDDRELGSA-N 2 1 296.817 3.395 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000345672492 378339447 /nfs/dbraw/zinc/33/94/47/378339447.db2.gz DGOUCWYZQSCGCG-AWEZNQCLSA-N 2 1 292.471 3.297 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000270643938 378381018 /nfs/dbraw/zinc/38/10/18/378381018.db2.gz KBXCUEDIORXNCG-QGZVFWFLSA-N 2 1 287.382 3.462 20 0 CGADMP CC[NH2+]CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000584523721 378391389 /nfs/dbraw/zinc/39/13/89/378391389.db2.gz GYMNFUKCYGRRQE-UHFFFAOYSA-N 2 1 266.388 3.346 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000346167426 378488035 /nfs/dbraw/zinc/48/80/35/378488035.db2.gz KHYAUCQDMJIBDH-ZDUSSCGKSA-N 2 1 284.407 3.196 20 0 CGADMP C[C@@H]([NH2+]Cc1cccn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272188300 378580037 /nfs/dbraw/zinc/58/00/37/378580037.db2.gz LQDQXARFWVQFEC-AEFFLSMTSA-N 2 1 297.446 3.025 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000346276624 378530857 /nfs/dbraw/zinc/53/08/57/378530857.db2.gz LNXSHUFSRFUAAI-YJBOKZPZSA-N 2 1 283.419 3.317 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000346276624 378530862 /nfs/dbraw/zinc/53/08/62/378530862.db2.gz LNXSHUFSRFUAAI-YJBOKZPZSA-N 2 1 283.419 3.317 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346471542 378589275 /nfs/dbraw/zinc/58/92/75/378589275.db2.gz YAEYEDCYBSUQSR-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346471542 378589279 /nfs/dbraw/zinc/58/92/79/378589279.db2.gz YAEYEDCYBSUQSR-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2(C(C)C)CC2)CC1 ZINC000637888292 378616190 /nfs/dbraw/zinc/61/61/90/378616190.db2.gz GVKQEGITNBZSOM-UHFFFAOYSA-N 2 1 252.446 3.227 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1F ZINC000272513001 378654893 /nfs/dbraw/zinc/65/48/93/378654893.db2.gz XEJLVVJMLOTMHX-OAHLLOKOSA-N 2 1 261.344 3.072 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000346658322 378664420 /nfs/dbraw/zinc/66/44/20/378664420.db2.gz UJGXJSXYLWPHRV-XJKSGUPXSA-N 2 1 299.393 3.057 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000346692922 378677037 /nfs/dbraw/zinc/67/70/37/378677037.db2.gz JSPRTENFQCZPEP-GDBMZVCRSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000346966107 378699907 /nfs/dbraw/zinc/69/99/07/378699907.db2.gz CNPBOSJFKYAAHE-CPUCHLNUSA-N 2 1 276.399 3.208 20 0 CGADMP c1ccc(SC[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346975590 378701525 /nfs/dbraw/zinc/70/15/25/378701525.db2.gz JLXZTLCDIAKUBQ-HOTGVXAUSA-N 2 1 290.476 3.100 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]CC1(SC)CC1)[NH+]1CCCC1 ZINC000347931613 378732652 /nfs/dbraw/zinc/73/26/52/378732652.db2.gz CPVVLNHUUKHGJH-OAHLLOKOSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]([NH2+]CC1(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348049802 378766609 /nfs/dbraw/zinc/76/66/09/378766609.db2.gz YFWNBRVMDWCRJA-WBVHZDCISA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccncc1CCC[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000348049133 378766905 /nfs/dbraw/zinc/76/69/05/378766905.db2.gz UXWXJNGCUSCZSH-IAGOWNOFSA-N 2 1 289.467 3.175 20 0 CGADMP C([NH2+]C1CCC(=C2CCC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638359784 378777794 /nfs/dbraw/zinc/77/77/94/378777794.db2.gz RMLRDPOEHDSYMQ-CQSZACIVSA-N 2 1 274.452 3.483 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cs1 ZINC000274428723 378831464 /nfs/dbraw/zinc/83/14/64/378831464.db2.gz JOXYDODMKMOYPY-LBPRGKRZSA-N 2 1 279.453 3.179 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cs1 ZINC000274428723 378831468 /nfs/dbraw/zinc/83/14/68/378831468.db2.gz JOXYDODMKMOYPY-LBPRGKRZSA-N 2 1 279.453 3.179 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(C)n1 ZINC000346872306 218043692 /nfs/dbraw/zinc/04/36/92/218043692.db2.gz GJKHZUKELPQDDK-UONOGXRCSA-N 2 1 290.455 3.009 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@](C)(CC)OC)c1 ZINC000638563619 378836838 /nfs/dbraw/zinc/83/68/38/378836838.db2.gz QAPMNCKSJGMOIV-KRWDZBQOSA-N 2 1 278.440 3.043 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(F)nc1C ZINC000278525665 194027040 /nfs/dbraw/zinc/02/70/40/194027040.db2.gz QVSODOKETIWKQK-UHFFFAOYSA-N 2 1 281.419 3.131 20 0 CGADMP C[N@@H+](CCc1ccccc1F)CC[C@H]1CCCC[NH+]1C ZINC000346973621 218074919 /nfs/dbraw/zinc/07/49/19/218074919.db2.gz YXOTUJYDVWHJQT-MRXNPFEDSA-N 2 1 278.415 3.174 20 0 CGADMP C[N@H+](CCc1ccccc1F)CC[C@H]1CCCC[NH+]1C ZINC000346973621 218074920 /nfs/dbraw/zinc/07/49/20/218074920.db2.gz YXOTUJYDVWHJQT-MRXNPFEDSA-N 2 1 278.415 3.174 20 0 CGADMP C[NH+](CCc1ccccc1F)CC[C@H]1CCCC[N@@H+]1C ZINC000346973621 218074923 /nfs/dbraw/zinc/07/49/23/218074923.db2.gz YXOTUJYDVWHJQT-MRXNPFEDSA-N 2 1 278.415 3.174 20 0 CGADMP C[NH+](CCc1ccccc1F)CC[C@H]1CCCC[N@H+]1C ZINC000346973621 218074925 /nfs/dbraw/zinc/07/49/25/218074925.db2.gz YXOTUJYDVWHJQT-MRXNPFEDSA-N 2 1 278.415 3.174 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1C ZINC000346985500 218079958 /nfs/dbraw/zinc/07/99/58/218079958.db2.gz OTPDVJKHUJWYGX-WMZOPIPTSA-N 2 1 272.436 3.440 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000274874497 378911510 /nfs/dbraw/zinc/91/15/10/378911510.db2.gz YAULYLNATZOLQZ-UHFFFAOYSA-N 2 1 299.418 3.095 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000274874497 378911514 /nfs/dbraw/zinc/91/15/14/378911514.db2.gz YAULYLNATZOLQZ-UHFFFAOYSA-N 2 1 299.418 3.095 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)[C@@H]1C[NH3+] ZINC000346997173 218085776 /nfs/dbraw/zinc/08/57/76/218085776.db2.gz CKSISBVERXPLIP-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@@H]1C[NH3+] ZINC000346997173 218085778 /nfs/dbraw/zinc/08/57/78/218085778.db2.gz CKSISBVERXPLIP-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2cccnc12 ZINC000347106865 218123207 /nfs/dbraw/zinc/12/32/07/218123207.db2.gz NVVNOBPVZWYWBR-JWTNVVGKSA-N 2 1 295.430 3.258 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Nc2ccccc2)C1 ZINC000370394390 379014830 /nfs/dbraw/zinc/01/48/30/379014830.db2.gz JZGDPFIRUQRLBA-ROUUACIJSA-N 2 1 287.451 3.047 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347200405 218152418 /nfs/dbraw/zinc/15/24/18/218152418.db2.gz JJQJBRSBKUJPHY-CYBMUJFWSA-N 2 1 266.816 3.128 20 0 CGADMP CCCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC000639177129 379095490 /nfs/dbraw/zinc/09/54/90/379095490.db2.gz AZOPWFGIERPJCV-IMJJTQAJSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC000639177129 379095497 /nfs/dbraw/zinc/09/54/97/379095497.db2.gz AZOPWFGIERPJCV-IMJJTQAJSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277296186 379121800 /nfs/dbraw/zinc/12/18/00/379121800.db2.gz TWUXECNNDWAXJJ-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277296186 379121812 /nfs/dbraw/zinc/12/18/12/379121812.db2.gz TWUXECNNDWAXJJ-KRWDZBQOSA-N 2 1 290.451 3.390 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000639204610 379134645 /nfs/dbraw/zinc/13/46/45/379134645.db2.gz UHZCLKJDAUMYEP-QRVBRYPASA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000639204610 379134650 /nfs/dbraw/zinc/13/46/50/379134650.db2.gz UHZCLKJDAUMYEP-QRVBRYPASA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000639204610 379134659 /nfs/dbraw/zinc/13/46/59/379134659.db2.gz UHZCLKJDAUMYEP-QRVBRYPASA-N 2 1 284.447 3.208 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277350465 379138691 /nfs/dbraw/zinc/13/86/91/379138691.db2.gz WRIJPZAJUJRPDM-RDJZCZTQSA-N 2 1 260.425 3.472 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)nc1 ZINC000349198350 379187643 /nfs/dbraw/zinc/18/76/43/379187643.db2.gz WXWLSZXEMVKUHT-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)nc1 ZINC000349198350 379187649 /nfs/dbraw/zinc/18/76/49/379187649.db2.gz WXWLSZXEMVKUHT-UHFFFAOYSA-N 2 1 286.423 3.061 20 0 CGADMP CO[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000639244639 379187849 /nfs/dbraw/zinc/18/78/49/379187849.db2.gz NLOIUJZMOSVJRJ-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000373204420 379243137 /nfs/dbraw/zinc/24/31/37/379243137.db2.gz HYRWYQLINJXJQV-VYHDIPPYSA-N 2 1 291.464 3.044 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000373204420 379243141 /nfs/dbraw/zinc/24/31/41/379243141.db2.gz HYRWYQLINJXJQV-VYHDIPPYSA-N 2 1 291.464 3.044 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C)s1 ZINC000349357442 379246613 /nfs/dbraw/zinc/24/66/13/379246613.db2.gz WXTXYFBRNZOHEK-UHFFFAOYSA-N 2 1 266.454 3.364 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C)s1 ZINC000349357442 379246624 /nfs/dbraw/zinc/24/66/24/379246624.db2.gz WXTXYFBRNZOHEK-UHFFFAOYSA-N 2 1 266.454 3.364 20 0 CGADMP CCOc1cccc(C[N@H+](CC)CCC[NH+]2CCCC2)c1 ZINC000349411841 379274487 /nfs/dbraw/zinc/27/44/87/379274487.db2.gz BEXUTKCGHHPQCB-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CCOc1cccc(C[N@@H+](CC)CCC[NH+]2CCCC2)c1 ZINC000349411841 379274493 /nfs/dbraw/zinc/27/44/93/379274493.db2.gz BEXUTKCGHHPQCB-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000376739800 379597701 /nfs/dbraw/zinc/59/77/01/379597701.db2.gz MKXURZYYZABLRU-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000352536004 379846619 /nfs/dbraw/zinc/84/66/19/379846619.db2.gz YHGOHXIXNJHVQN-SFHVURJKSA-N 2 1 272.436 3.187 20 0 CGADMP COc1ccc([C@@H](C)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352535227 379846888 /nfs/dbraw/zinc/84/68/88/379846888.db2.gz OADVVVLZNWBCFG-HOCLYGCPSA-N 2 1 276.424 3.002 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000352540987 379849363 /nfs/dbraw/zinc/84/93/63/379849363.db2.gz RYPZLEFNQMFNRC-GOSISDBHSA-N 2 1 295.430 3.452 20 0 CGADMP C[C@@H](c1cccnc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530984 379818902 /nfs/dbraw/zinc/81/89/02/379818902.db2.gz KPBCDDPUUDSUJE-INIZCTEOSA-N 2 1 275.440 3.341 20 0 CGADMP Cc1nc(CC[N@@H+](C)CCCC[NH+]2CCCCC2)cs1 ZINC000640533439 379819163 /nfs/dbraw/zinc/81/91/63/379819163.db2.gz RQHYGXUJTWGFGC-UHFFFAOYSA-N 2 1 295.496 3.192 20 0 CGADMP Cc1cnccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533064 379820578 /nfs/dbraw/zinc/82/05/78/379820578.db2.gz BNYULUTWDWEGQZ-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP Cc1nsc(C)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534645 379820595 /nfs/dbraw/zinc/82/05/95/379820595.db2.gz QUXWZEJWWRYBQZ-UHFFFAOYSA-N 2 1 295.496 3.458 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)ccn1 ZINC000640534322 379820693 /nfs/dbraw/zinc/82/06/93/379820693.db2.gz PPBRIDLKCMRKNX-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716840 379920959 /nfs/dbraw/zinc/92/09/59/379920959.db2.gz HQPZSYMWCYVOIX-ZKXLYKBJSA-N 2 1 294.483 3.139 20 0 CGADMP C[NH+](C)C1(C[NH2+]C(C2CCC2)C2CCC2)CCCC1 ZINC000388011136 379880543 /nfs/dbraw/zinc/88/05/43/379880543.db2.gz RGYGEKUIKHCDGJ-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389312826 379895312 /nfs/dbraw/zinc/89/53/12/379895312.db2.gz RHJJJEWWLYWPIZ-IXDOHACOSA-N 2 1 258.409 3.069 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000352759564 379943572 /nfs/dbraw/zinc/94/35/72/379943572.db2.gz JZOATCAGOASIKI-HNNXBMFYSA-N 2 1 272.392 3.254 20 0 CGADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(F)c1 ZINC000404657502 379982170 /nfs/dbraw/zinc/98/21/70/379982170.db2.gz OKOXURPNVNUKEJ-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+]CCc3c[nH+]cn3C)oc21 ZINC000401776149 379958325 /nfs/dbraw/zinc/95/83/25/379958325.db2.gz MXZBNDMXYUVRBS-LBPRGKRZSA-N 2 1 299.374 3.068 20 0 CGADMP C[C@H](C[N@@H+](C)CC[C@H]1CCC[NH+]1C)c1ccccc1 ZINC000409445693 380033137 /nfs/dbraw/zinc/03/31/37/380033137.db2.gz HJRDQJULMOAVAL-NVXWUHKLSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@H](C[NH+](C)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000409445693 380033143 /nfs/dbraw/zinc/03/31/43/380033143.db2.gz HJRDQJULMOAVAL-NVXWUHKLSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@H](C[NH+](C)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000409445693 380033149 /nfs/dbraw/zinc/03/31/49/380033149.db2.gz HJRDQJULMOAVAL-NVXWUHKLSA-N 2 1 260.425 3.206 20 0 CGADMP Cc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000352832799 379990466 /nfs/dbraw/zinc/99/04/66/379990466.db2.gz PYUBUCPYSPMVFO-HOCLYGCPSA-N 2 1 278.827 3.174 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641774624 380090188 /nfs/dbraw/zinc/09/01/88/380090188.db2.gz RHTSVZMAGVCGGQ-CRAIPNDOSA-N 2 1 272.436 3.459 20 0 CGADMP CN1CC[C@@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931826 380045210 /nfs/dbraw/zinc/04/52/10/380045210.db2.gz OEJQDRLMNCUJPL-WBMJQRKESA-N 2 1 288.366 3.098 20 0 CGADMP CN1CC[C@@H]2CC[N@@H+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931826 380045214 /nfs/dbraw/zinc/04/52/14/380045214.db2.gz OEJQDRLMNCUJPL-WBMJQRKESA-N 2 1 288.366 3.098 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000410393876 380093744 /nfs/dbraw/zinc/09/37/44/380093744.db2.gz YTGUEYMQRFOCIB-IRXDYDNUSA-N 2 1 284.488 3.101 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000641796933 380108918 /nfs/dbraw/zinc/10/89/18/380108918.db2.gz MLWXPCICKMNOII-CJNGLKHVSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000641799050 380111617 /nfs/dbraw/zinc/11/16/17/380111617.db2.gz MMDUEKSMYXZHLF-HNNXBMFYSA-N 2 1 299.418 3.211 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000414176971 380200341 /nfs/dbraw/zinc/20/03/41/380200341.db2.gz IPRADDWXMPCJMW-BZUAXINKSA-N 2 1 270.436 3.226 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1C(C)(C)C1(C)C ZINC000353909766 380229804 /nfs/dbraw/zinc/22/98/04/380229804.db2.gz BPEZJTJSWAMKJE-QWHCGFSZSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1C(C)(C)C1(C)C ZINC000353928283 380239479 /nfs/dbraw/zinc/23/94/79/380239479.db2.gz CBQCNTDTYQSSFC-LBPRGKRZSA-N 2 1 264.457 3.274 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000643498881 380321351 /nfs/dbraw/zinc/32/13/51/380321351.db2.gz QQPDRGKYMNVAHG-AWEZNQCLSA-N 2 1 284.831 3.389 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000354108290 380328649 /nfs/dbraw/zinc/32/86/49/380328649.db2.gz UPVVDQWAWDOLCX-AWEZNQCLSA-N 2 1 294.389 3.129 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]([NH2+]CC[NH2+]C3CC3)C2)cc1 ZINC000643507324 380330789 /nfs/dbraw/zinc/33/07/89/380330789.db2.gz ZCWNXBQSRGYQTK-SJLPKXTDSA-N 2 1 272.436 3.445 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(-c2ccncc2)c1 ZINC000643512595 380333178 /nfs/dbraw/zinc/33/31/78/380333178.db2.gz HFYRSYNMWWZWFK-FZKQIMNGSA-N 2 1 281.403 3.137 20 0 CGADMP Cc1ccsc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354081943 380313440 /nfs/dbraw/zinc/31/34/40/380313440.db2.gz IPDCUENMCUHUAS-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354081943 380313443 /nfs/dbraw/zinc/31/34/43/380313443.db2.gz IPDCUENMCUHUAS-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354081943 380313449 /nfs/dbraw/zinc/31/34/49/380313449.db2.gz IPDCUENMCUHUAS-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1Cl ZINC000643467482 380315119 /nfs/dbraw/zinc/31/51/19/380315119.db2.gz KJKZAIVWHJJZMG-BZUAXINKSA-N 2 1 296.842 3.277 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)CCC2CCCCC2)CC[NH2+]1 ZINC000414703863 380381220 /nfs/dbraw/zinc/38/12/20/380381220.db2.gz YLHWFVVQEXWPCT-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](C)(c3ccccc3)C2)CC[NH2+]1 ZINC000414734316 380388937 /nfs/dbraw/zinc/38/89/37/380388937.db2.gz DNBVYKRHTUYLFG-JFIYKMOQSA-N 2 1 272.436 3.038 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414751239 380393222 /nfs/dbraw/zinc/39/32/22/380393222.db2.gz IIVVXZSDZXMBEH-HOTGVXAUSA-N 2 1 260.425 3.123 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526098 380340650 /nfs/dbraw/zinc/34/06/50/380340650.db2.gz PDUZYDMVSNLZSF-KGLIPLIRSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643529366 380346841 /nfs/dbraw/zinc/34/68/41/380346841.db2.gz YYHGLDLDDGROSQ-ZWNOBZJWSA-N 2 1 274.330 3.339 20 0 CGADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643529324 380346877 /nfs/dbraw/zinc/34/68/77/380346877.db2.gz YQDYJXBJLJDUJS-UWVGGRQHSA-N 2 1 293.411 3.255 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414652190 380352705 /nfs/dbraw/zinc/35/27/05/380352705.db2.gz GKGCSJHXWGVWOV-HXUWFJFHSA-N 2 1 294.442 3.121 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414652190 380352706 /nfs/dbraw/zinc/35/27/06/380352706.db2.gz GKGCSJHXWGVWOV-HXUWFJFHSA-N 2 1 294.442 3.121 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](Cc2cccc(F)c2)C2CC2)CC[NH2+]1 ZINC000414668530 380360289 /nfs/dbraw/zinc/36/02/89/380360289.db2.gz AEAFHWDYDDMKQI-DZGCQCFKSA-N 2 1 276.399 3.178 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414813601 380424121 /nfs/dbraw/zinc/42/41/21/380424121.db2.gz MQLHOYHMGNQUBF-HUUCEWRRSA-N 2 1 299.462 3.441 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414822419 380431815 /nfs/dbraw/zinc/43/18/15/380431815.db2.gz GSVNQYJYBJLZMC-MSOLQXFVSA-N 2 1 290.451 3.309 20 0 CGADMP CC[NH2+]CC[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000414820308 380432709 /nfs/dbraw/zinc/43/27/09/380432709.db2.gz CCKINDLHOIMNJA-UHFFFAOYSA-N 2 1 260.425 3.086 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000414855591 380457422 /nfs/dbraw/zinc/45/74/22/380457422.db2.gz XDZQXPVJDKLNNQ-RDJZCZTQSA-N 2 1 262.441 3.279 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414830110 380437789 /nfs/dbraw/zinc/43/77/89/380437789.db2.gz BUVNEJIPNLJRIX-VIFPVBQESA-N 2 1 294.748 3.304 20 0 CGADMP Cc1cc2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)oc2cc1C ZINC000414832490 380439903 /nfs/dbraw/zinc/43/99/03/380439903.db2.gz QOCAKUVLFZCYIC-AWEZNQCLSA-N 2 1 272.392 3.139 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414842195 380447830 /nfs/dbraw/zinc/44/78/30/380447830.db2.gz NZVJAJHGROZGKZ-CMPLNLGQSA-N 2 1 266.351 3.215 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414785620 380403691 /nfs/dbraw/zinc/40/36/91/380403691.db2.gz SVVJHXZQLKBBRB-CVEARBPZSA-N 2 1 290.476 3.230 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414788271 380405281 /nfs/dbraw/zinc/40/52/81/380405281.db2.gz WMUCMYUVUWLKBN-WMZOPIPTSA-N 2 1 272.436 3.125 20 0 CGADMP CC1(c2ccccc2)CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000414792220 380406456 /nfs/dbraw/zinc/40/64/56/380406456.db2.gz BYLGJRJZTOWYIW-ADKAHSJRSA-N 2 1 272.436 3.214 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414801724 380414701 /nfs/dbraw/zinc/41/47/01/380414701.db2.gz MBDDJOWTRKCBIJ-SFHVURJKSA-N 2 1 296.414 3.189 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000414808059 380419895 /nfs/dbraw/zinc/41/98/95/380419895.db2.gz SELSJTKFVLULEI-UHFFFAOYSA-N 2 1 282.453 3.024 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000414808562 380420987 /nfs/dbraw/zinc/42/09/87/380420987.db2.gz LAOUKWPGSQSMFR-UHFFFAOYSA-N 2 1 276.380 3.049 20 0 CGADMP CC1([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000414935343 380495740 /nfs/dbraw/zinc/49/57/40/380495740.db2.gz FVADKYGTYKEGHW-UHFFFAOYSA-N 2 1 273.207 3.225 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414938416 380497874 /nfs/dbraw/zinc/49/78/74/380497874.db2.gz YJZDGWJATFZASG-LERXQTSPSA-N 2 1 286.341 3.278 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1F ZINC000268791584 190433126 /nfs/dbraw/zinc/43/31/26/190433126.db2.gz GMLNYFQILYHMSC-LLVKDONJSA-N 2 1 293.411 3.403 20 0 CGADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000414947704 380501984 /nfs/dbraw/zinc/50/19/84/380501984.db2.gz VRLQHWVGEXZSIL-FZMZJTMJSA-N 2 1 299.256 3.097 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000348126866 218468551 /nfs/dbraw/zinc/46/85/51/218468551.db2.gz QCULSWJFLOMPFM-WBVHZDCISA-N 2 1 294.483 3.188 20 0 CGADMP CCCn1nc(C)c(C[NH2+]CC2([NH3+])CCCCCC2)c1C ZINC000414864612 380464951 /nfs/dbraw/zinc/46/49/51/380464951.db2.gz ZPJOFWKFMAVWIM-UHFFFAOYSA-N 2 1 292.471 3.051 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000645188074 380609364 /nfs/dbraw/zinc/60/93/64/380609364.db2.gz OUBYYLCSDAYGAU-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000645188074 380609370 /nfs/dbraw/zinc/60/93/70/380609370.db2.gz OUBYYLCSDAYGAU-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000645188074 380609377 /nfs/dbraw/zinc/60/93/77/380609377.db2.gz OUBYYLCSDAYGAU-LJQANCHMSA-N 2 1 286.463 3.209 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000420292275 380846014 /nfs/dbraw/zinc/84/60/14/380846014.db2.gz OYSBVJHTCDAQST-OZVIIMIRSA-N 2 1 278.827 3.387 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000356866131 380908428 /nfs/dbraw/zinc/90/84/28/380908428.db2.gz LTFISUZUYLJKGG-HUUCEWRRSA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226199 381341057 /nfs/dbraw/zinc/34/10/57/381341057.db2.gz VQOSMLJZBHKDQL-INIZCTEOSA-N 2 1 252.446 3.134 20 0 CGADMP COC1(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000359968647 381393327 /nfs/dbraw/zinc/39/33/27/381393327.db2.gz CWBBXINJCULWNG-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP c1ccc2ncc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000334868011 207215921 /nfs/dbraw/zinc/21/59/21/207215921.db2.gz IAAVNTHWUNCGEF-HKUYNNGSSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000360856923 381629773 /nfs/dbraw/zinc/62/97/73/381629773.db2.gz IHFUGQXDDHDPLJ-TZMCWYRMSA-N 2 1 264.413 3.223 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000361931798 381874896 /nfs/dbraw/zinc/87/48/96/381874896.db2.gz YXPRZMOZCZBXGB-PBHICJAKSA-N 2 1 288.435 3.234 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000361931798 381874903 /nfs/dbraw/zinc/87/49/03/381874903.db2.gz YXPRZMOZCZBXGB-PBHICJAKSA-N 2 1 288.435 3.234 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000366949675 382326636 /nfs/dbraw/zinc/32/66/36/382326636.db2.gz DBBJZACHQXWMKC-MRXNPFEDSA-N 2 1 262.441 3.151 20 0 CGADMP COc1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366950819 382326701 /nfs/dbraw/zinc/32/67/01/382326701.db2.gz GZKRAGYECFQCFQ-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000367116586 382332587 /nfs/dbraw/zinc/33/25/87/382332587.db2.gz FHMDFVAQQFROOZ-SFHVURJKSA-N 2 1 299.418 3.125 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000367116586 382332595 /nfs/dbraw/zinc/33/25/95/382332595.db2.gz FHMDFVAQQFROOZ-SFHVURJKSA-N 2 1 299.418 3.125 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C)cc1 ZINC000368001680 382363643 /nfs/dbraw/zinc/36/36/43/382363643.db2.gz ZJAGQQOAQQDPSU-HUUCEWRRSA-N 2 1 269.392 3.316 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)[C@@H](C)C1 ZINC000248490276 542335413 /nfs/dbraw/zinc/33/54/13/542335413.db2.gz HXGNYKYYZYAVNT-NPJQDHAYSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000250116882 542342152 /nfs/dbraw/zinc/34/21/52/542342152.db2.gz QNMAUCALANQMAP-VQHPVUNQSA-N 2 1 266.473 3.379 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000251850033 542348585 /nfs/dbraw/zinc/34/85/85/542348585.db2.gz RRSDASHWTAWQLJ-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)s1 ZINC000251055726 542345122 /nfs/dbraw/zinc/34/51/22/542345122.db2.gz BFBCJXHTNKGSRU-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)s1 ZINC000251055726 542345126 /nfs/dbraw/zinc/34/51/26/542345126.db2.gz BFBCJXHTNKGSRU-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000268784087 542360543 /nfs/dbraw/zinc/36/05/43/542360543.db2.gz DFNRMYSLCXLFBD-CQSZACIVSA-N 2 1 291.395 3.157 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1F ZINC000423333535 533004079 /nfs/dbraw/zinc/00/40/79/533004079.db2.gz RWRXWBGJBDQVGU-JTQLQIEISA-N 2 1 268.401 3.080 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000335253060 208033915 /nfs/dbraw/zinc/03/39/15/208033915.db2.gz GPNXRQGHFNALKN-DZGCQCFKSA-N 2 1 285.435 3.357 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1C ZINC000335253060 208033919 /nfs/dbraw/zinc/03/39/19/208033919.db2.gz GPNXRQGHFNALKN-DZGCQCFKSA-N 2 1 285.435 3.357 20 0 CGADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccsc3)s2)CC[C@H]1[NH3+] ZINC000335333796 208212815 /nfs/dbraw/zinc/21/28/15/208212815.db2.gz GSMNTCLGXWZVHA-GXFFZTMASA-N 2 1 293.461 3.041 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccsc3)s2)CC[C@H]1[NH3+] ZINC000335333796 208212821 /nfs/dbraw/zinc/21/28/21/208212821.db2.gz GSMNTCLGXWZVHA-GXFFZTMASA-N 2 1 293.461 3.041 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C)C[C@@H]1C ZINC000353745849 220296664 /nfs/dbraw/zinc/29/66/64/220296664.db2.gz BEVADTWXVUFKTB-RDJZCZTQSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C)C[C@@H]1C ZINC000353745849 220296666 /nfs/dbraw/zinc/29/66/66/220296666.db2.gz BEVADTWXVUFKTB-RDJZCZTQSA-N 2 1 260.425 3.300 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C)C[C@@H]1C ZINC000353745849 220296671 /nfs/dbraw/zinc/29/66/71/220296671.db2.gz BEVADTWXVUFKTB-RDJZCZTQSA-N 2 1 260.425 3.300 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000353749270 220302248 /nfs/dbraw/zinc/30/22/48/220302248.db2.gz DQBNOSLKWYLYLI-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000353749270 220302250 /nfs/dbraw/zinc/30/22/50/220302250.db2.gz DQBNOSLKWYLYLI-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000353749270 220302253 /nfs/dbraw/zinc/30/22/53/220302253.db2.gz DQBNOSLKWYLYLI-NVXWUHKLSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC=CCC2)C[C@@H]1C ZINC000353752698 220307403 /nfs/dbraw/zinc/30/74/03/220307403.db2.gz UAMLVUGDYQBMEB-JYJNAYRXSA-N 2 1 250.430 3.147 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC=CCC2)C[C@@H]1C ZINC000353752698 220307406 /nfs/dbraw/zinc/30/74/06/220307406.db2.gz UAMLVUGDYQBMEB-JYJNAYRXSA-N 2 1 250.430 3.147 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC=CCC2)C[C@@H]1C ZINC000353752698 220307408 /nfs/dbraw/zinc/30/74/08/220307408.db2.gz UAMLVUGDYQBMEB-JYJNAYRXSA-N 2 1 250.430 3.147 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c1OC ZINC000423260643 533115715 /nfs/dbraw/zinc/11/57/15/533115715.db2.gz HVFAWPBJOXTDJV-KGLIPLIRSA-N 2 1 294.439 3.036 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)CC[NH2+]1 ZINC000414763500 297399698 /nfs/dbraw/zinc/39/96/98/297399698.db2.gz XOBQLHDYFVOLHL-XQHKEYJVSA-N 2 1 278.362 3.037 20 0 CGADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074052 542486224 /nfs/dbraw/zinc/48/62/24/542486224.db2.gz IILZGNBXFZKFPM-LTIDMASMSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348077727 542514036 /nfs/dbraw/zinc/51/40/36/542514036.db2.gz DZAMDNMFNHGDKI-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348107741 542514840 /nfs/dbraw/zinc/51/48/40/542514840.db2.gz QPFCEHGHWSOEKM-PVAVHDDUSA-N 2 1 264.457 3.277 20 0 CGADMP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OCC1CCCC1 ZINC000459335543 533356890 /nfs/dbraw/zinc/35/68/90/533356890.db2.gz GTBHOGCWRWEFNA-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OCC1CCCC1 ZINC000459335543 533356895 /nfs/dbraw/zinc/35/68/95/533356895.db2.gz GTBHOGCWRWEFNA-SFHVURJKSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423333415 533424688 /nfs/dbraw/zinc/42/46/88/533424688.db2.gz PSIACNRMGXNVSY-ABAIWWIYSA-N 2 1 268.351 3.005 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1C(F)(F)F ZINC000423313327 533431859 /nfs/dbraw/zinc/43/18/59/533431859.db2.gz FNLBDZMNBFUCHP-RNCFNFMXSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cnc2ccsc2c1 ZINC000423403042 533524543 /nfs/dbraw/zinc/52/45/43/533524543.db2.gz XZCMTLNMBPZMAP-NQBHXWOUSA-N 2 1 275.421 3.087 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2c1C ZINC000365220096 533622137 /nfs/dbraw/zinc/62/21/37/533622137.db2.gz LOMZCVNTDPRXIK-ALOPSCKCSA-N 2 1 297.446 3.500 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000389087654 542607333 /nfs/dbraw/zinc/60/73/33/542607333.db2.gz MMJYMHOLFYXKPK-HOCLYGCPSA-N 2 1 278.827 3.209 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CS1 ZINC000414238176 542634354 /nfs/dbraw/zinc/63/43/54/542634354.db2.gz XEYFESWHXBRKEY-BSWAZPDLSA-N 2 1 290.476 3.306 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CS1 ZINC000414238176 542634358 /nfs/dbraw/zinc/63/43/58/542634358.db2.gz XEYFESWHXBRKEY-BSWAZPDLSA-N 2 1 290.476 3.306 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCCC2)C1 ZINC000053344076 392083765 /nfs/dbraw/zinc/08/37/65/392083765.db2.gz UKTWIAVWOWKQDV-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCCC2)C1 ZINC000053344076 392083770 /nfs/dbraw/zinc/08/37/70/392083770.db2.gz UKTWIAVWOWKQDV-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000071142359 392188685 /nfs/dbraw/zinc/18/86/85/392188685.db2.gz FAHWDGOYZCXIOZ-HUUCEWRRSA-N 2 1 260.425 3.412 20 0 CGADMP CC(C)CC1(C[NH2+]C2CC[NH+](C)CC2)CCCC1 ZINC000094874188 392243014 /nfs/dbraw/zinc/24/30/14/392243014.db2.gz SRTKPABBSBBTKW-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000361754227 392313585 /nfs/dbraw/zinc/31/35/85/392313585.db2.gz MVEJNJNQNVQSIR-DYEKYZERSA-N 2 1 278.465 3.370 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000361754227 392313589 /nfs/dbraw/zinc/31/35/89/392313589.db2.gz MVEJNJNQNVQSIR-DYEKYZERSA-N 2 1 278.465 3.370 20 0 CGADMP C(C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)C[NH+]1CCCCC1 ZINC000361256801 392268371 /nfs/dbraw/zinc/26/83/71/392268371.db2.gz DFVBMQOPJAXMSY-SFHVURJKSA-N 2 1 294.483 3.286 20 0 CGADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1C ZINC000361266324 392272663 /nfs/dbraw/zinc/27/26/63/392272663.db2.gz NCTCUYNNBSMXQX-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1C ZINC000361266324 392272671 /nfs/dbraw/zinc/27/26/71/392272671.db2.gz NCTCUYNNBSMXQX-UHFFFAOYSA-N 2 1 290.451 3.311 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000105442834 392289306 /nfs/dbraw/zinc/28/93/06/392289306.db2.gz JOUODDUPAWTKPH-PMGBHYCQSA-N 2 1 299.418 3.139 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000249383509 131120951 /nfs/dbraw/zinc/12/09/51/131120951.db2.gz VVIKRLXOWQCFRY-CHWSQXEVSA-N 2 1 298.377 3.280 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000286087447 392374407 /nfs/dbraw/zinc/37/44/07/392374407.db2.gz LXFAXXHFYSJTCD-HZPDHXFCSA-N 2 1 275.440 3.305 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC[N@@H+]1C ZINC000362305703 392413332 /nfs/dbraw/zinc/41/33/32/392413332.db2.gz VEUHERQCYCAYOM-DTZQCDIJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC[N@H+]1C ZINC000362305703 392413336 /nfs/dbraw/zinc/41/33/36/392413336.db2.gz VEUHERQCYCAYOM-DTZQCDIJSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@@H]1c1ccccc1 ZINC000125213097 392438156 /nfs/dbraw/zinc/43/81/56/392438156.db2.gz OCGQMQMXJNWCAJ-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@@H]1c1ccccc1 ZINC000125213097 392438159 /nfs/dbraw/zinc/43/81/59/392438159.db2.gz OCGQMQMXJNWCAJ-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000125213097 392438167 /nfs/dbraw/zinc/43/81/67/392438167.db2.gz OCGQMQMXJNWCAJ-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000125213097 392438172 /nfs/dbraw/zinc/43/81/72/392438172.db2.gz OCGQMQMXJNWCAJ-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP FCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367075650 392469550 /nfs/dbraw/zinc/46/95/50/392469550.db2.gz WGTVKGAJNQXDJP-GDBMZVCRSA-N 2 1 268.420 3.075 20 0 CGADMP FCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367075650 392469555 /nfs/dbraw/zinc/46/95/55/392469555.db2.gz WGTVKGAJNQXDJP-GDBMZVCRSA-N 2 1 268.420 3.075 20 0 CGADMP FCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367075650 392469559 /nfs/dbraw/zinc/46/95/59/392469559.db2.gz WGTVKGAJNQXDJP-GDBMZVCRSA-N 2 1 268.420 3.075 20 0 CGADMP FCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367075652 392469151 /nfs/dbraw/zinc/46/91/51/392469151.db2.gz WGTVKGAJNQXDJP-HOCLYGCPSA-N 2 1 268.420 3.075 20 0 CGADMP FCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367075652 392469156 /nfs/dbraw/zinc/46/91/56/392469156.db2.gz WGTVKGAJNQXDJP-HOCLYGCPSA-N 2 1 268.420 3.075 20 0 CGADMP FCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367075652 392469161 /nfs/dbraw/zinc/46/91/61/392469161.db2.gz WGTVKGAJNQXDJP-HOCLYGCPSA-N 2 1 268.420 3.075 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000155385239 392540880 /nfs/dbraw/zinc/54/08/80/392540880.db2.gz OLNDGSXYHCJLRU-CJNGLKHVSA-N 2 1 292.854 3.444 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000300316373 392581622 /nfs/dbraw/zinc/58/16/22/392581622.db2.gz PYPNPPAOOBJYOO-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000162063790 392591113 /nfs/dbraw/zinc/59/11/13/392591113.db2.gz JZZFCDXICVDPED-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000162063790 392591116 /nfs/dbraw/zinc/59/11/16/392591116.db2.gz JZZFCDXICVDPED-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)[C@H](C)C1 ZINC000156471288 392548415 /nfs/dbraw/zinc/54/84/15/392548415.db2.gz MIVHFENRJHUXIJ-GPQLOAJWSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000647343741 392693008 /nfs/dbraw/zinc/69/30/08/392693008.db2.gz BMGKRLSBMUWFRN-CEXWTWQISA-N 2 1 286.463 3.356 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000178040370 392670173 /nfs/dbraw/zinc/67/01/73/392670173.db2.gz LZFBXDRYMGDZIP-XHSDSOJGSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000647330453 392674994 /nfs/dbraw/zinc/67/49/94/392674994.db2.gz JMEOGVDKEPVFEZ-MRXNPFEDSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000647343028 392690083 /nfs/dbraw/zinc/69/00/83/392690083.db2.gz AMHBQVNORAURMU-UAGQMJEPSA-N 2 1 284.403 3.276 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000647343028 392690092 /nfs/dbraw/zinc/69/00/92/392690092.db2.gz AMHBQVNORAURMU-UAGQMJEPSA-N 2 1 284.403 3.276 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000181422640 392730094 /nfs/dbraw/zinc/73/00/94/392730094.db2.gz XERYSADKMKRDSL-DOMZBBRYSA-N 2 1 266.816 3.475 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140909 285502651 /nfs/dbraw/zinc/50/26/51/285502651.db2.gz LZXLPOYUQNLZEP-GOSISDBHSA-N 2 1 270.420 3.280 20 0 CGADMP Fc1ccc(/C=C/C[N@H+](C2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC000647482610 392737204 /nfs/dbraw/zinc/73/72/04/392737204.db2.gz SLSHKUDVRFARNM-OWOJBTEDSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C/C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC000647482610 392737206 /nfs/dbraw/zinc/73/72/06/392737206.db2.gz SLSHKUDVRFARNM-OWOJBTEDSA-N 2 1 292.373 3.194 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@H]1[NH3+] ZINC000647498415 392742077 /nfs/dbraw/zinc/74/20/77/392742077.db2.gz GWALEJXAFHYOFU-DOTOQJQBSA-N 2 1 288.435 3.035 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334871111 392756174 /nfs/dbraw/zinc/75/61/74/392756174.db2.gz YBGMJRZLMIHYIF-AEFFLSMTSA-N 2 1 295.430 3.199 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731320 392713493 /nfs/dbraw/zinc/71/34/93/392713493.db2.gz KCEISXRDGHJTGC-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731320 392713499 /nfs/dbraw/zinc/71/34/99/392713499.db2.gz KCEISXRDGHJTGC-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731320 392713505 /nfs/dbraw/zinc/71/35/05/392713505.db2.gz KCEISXRDGHJTGC-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H](C[NH+]1CCCC[C@H]1C)C[N@H+]1CCCC[C@@H]1C ZINC000510261810 392792395 /nfs/dbraw/zinc/79/23/95/392792395.db2.gz QJULSJRBKVGBMS-PHZGNYQRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000510734785 392813488 /nfs/dbraw/zinc/81/34/88/392813488.db2.gz ODGHVDJODLMZTP-RDBSUJKOSA-N 2 1 296.405 3.358 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000510734785 392813493 /nfs/dbraw/zinc/81/34/93/392813493.db2.gz ODGHVDJODLMZTP-RDBSUJKOSA-N 2 1 296.405 3.358 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647876420 392820459 /nfs/dbraw/zinc/82/04/59/392820459.db2.gz YNUSEDSTIACKEX-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647876420 392820462 /nfs/dbraw/zinc/82/04/62/392820462.db2.gz YNUSEDSTIACKEX-DOMZBBRYSA-N 2 1 264.800 3.086 20 0 CGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000647878598 392821456 /nfs/dbraw/zinc/82/14/56/392821456.db2.gz SMYVBTIYSCCLEC-MRXNPFEDSA-N 2 1 268.404 3.271 20 0 CGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)CCc1cccs1 ZINC000647879832 392823418 /nfs/dbraw/zinc/82/34/18/392823418.db2.gz GTVOVJIVNUWXKO-UHFFFAOYSA-N 2 1 280.481 3.392 20 0 CGADMP C[N@H+]1CCCC12CCN(CCSC(C)(C)C)CC2 ZINC000375875459 392835573 /nfs/dbraw/zinc/83/55/73/392835573.db2.gz OIBLNZHNWIJXFM-UHFFFAOYSA-N 2 1 270.486 3.078 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCSC(C)(C)C)CC2 ZINC000375875459 392835576 /nfs/dbraw/zinc/83/55/76/392835576.db2.gz OIBLNZHNWIJXFM-UHFFFAOYSA-N 2 1 270.486 3.078 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCSC(C)(C)C)CC2 ZINC000375875459 392835579 /nfs/dbraw/zinc/83/55/79/392835579.db2.gz OIBLNZHNWIJXFM-UHFFFAOYSA-N 2 1 270.486 3.078 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194270083 392910664 /nfs/dbraw/zinc/91/06/64/392910664.db2.gz TUNKZFLUMOZRSP-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000192508643 392852017 /nfs/dbraw/zinc/85/20/17/392852017.db2.gz BLXUVQMCJKZEQH-QAPCUYQASA-N 2 1 290.451 3.041 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647990051 392858888 /nfs/dbraw/zinc/85/88/88/392858888.db2.gz XZJYYEZRHPTHLA-OLZOCXBDSA-N 2 1 281.469 3.177 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647990051 392858890 /nfs/dbraw/zinc/85/88/90/392858890.db2.gz XZJYYEZRHPTHLA-OLZOCXBDSA-N 2 1 281.469 3.177 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2sccc2Cl)CC1 ZINC000376095669 392862544 /nfs/dbraw/zinc/86/25/44/392862544.db2.gz MPAAWFYLODVMED-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2sccc2Cl)CC1 ZINC000376095669 392862546 /nfs/dbraw/zinc/86/25/46/392862546.db2.gz MPAAWFYLODVMED-UHFFFAOYSA-N 2 1 284.856 3.462 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000516117509 392862871 /nfs/dbraw/zinc/86/28/71/392862871.db2.gz GAQWFUZNNCUFTD-FJIDUMEYSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000516117509 392862877 /nfs/dbraw/zinc/86/28/77/392862877.db2.gz GAQWFUZNNCUFTD-FJIDUMEYSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000516117509 392862880 /nfs/dbraw/zinc/86/28/80/392862880.db2.gz GAQWFUZNNCUFTD-FJIDUMEYSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000516117509 392862885 /nfs/dbraw/zinc/86/28/85/392862885.db2.gz GAQWFUZNNCUFTD-FJIDUMEYSA-N 2 1 276.468 3.395 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376409178 392877784 /nfs/dbraw/zinc/87/77/84/392877784.db2.gz MOORVPZBADEFEY-AOCRQIFASA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000401453888 392951116 /nfs/dbraw/zinc/95/11/16/392951116.db2.gz BIVVWXYNQXWVNG-BZUAXINKSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459799173 392955493 /nfs/dbraw/zinc/95/54/93/392955493.db2.gz YNXBCYVZSBGPEO-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459796696 392954982 /nfs/dbraw/zinc/95/49/82/392954982.db2.gz WFWAQYONKSUQKM-PMPSAXMXSA-N 2 1 252.446 3.134 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1CCCC1 ZINC000464060805 392973188 /nfs/dbraw/zinc/97/31/88/392973188.db2.gz FHZBAVZOZINLJX-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1CCCC1 ZINC000464060805 392973194 /nfs/dbraw/zinc/97/31/94/392973194.db2.gz FHZBAVZOZINLJX-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462104386 392967017 /nfs/dbraw/zinc/96/70/17/392967017.db2.gz JWWGYCOAJNVSGD-JQHSSLGASA-N 2 1 274.452 3.388 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462104386 392967022 /nfs/dbraw/zinc/96/70/22/392967022.db2.gz JWWGYCOAJNVSGD-JQHSSLGASA-N 2 1 274.452 3.388 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)C[C@@H]1c1ccccc1 ZINC000340258549 392968298 /nfs/dbraw/zinc/96/82/98/392968298.db2.gz WFMPODYNZAIREF-GVDBMIGSSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)C[C@@H]1c1ccccc1 ZINC000340258549 392968303 /nfs/dbraw/zinc/96/83/03/392968303.db2.gz WFMPODYNZAIREF-GVDBMIGSSA-N 2 1 290.476 3.307 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000221858171 393007913 /nfs/dbraw/zinc/00/79/13/393007913.db2.gz FYSIVPTYIZPPOJ-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000221858171 393007919 /nfs/dbraw/zinc/00/79/19/393007919.db2.gz FYSIVPTYIZPPOJ-CWVYHPPDSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000648433252 393013942 /nfs/dbraw/zinc/01/39/42/393013942.db2.gz VUMWBYRNHOPGGS-VVLHAWIVSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1ccc(COc2ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc2)cc1 ZINC000415009614 393093517 /nfs/dbraw/zinc/09/35/17/393093517.db2.gz FZVIKRHJSPOWQZ-HZPDHXFCSA-N 2 1 298.430 3.399 20 0 CGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000547279464 393101108 /nfs/dbraw/zinc/10/11/08/393101108.db2.gz QUMROTKOGRLIDZ-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2c(C)cccc2C)CC1 ZINC000546226260 393040577 /nfs/dbraw/zinc/04/05/77/393040577.db2.gz LQUYNUVBQXVWDA-OAHLLOKOSA-N 2 1 260.425 3.438 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000414193778 393044001 /nfs/dbraw/zinc/04/40/01/393044001.db2.gz UVKLIHZAOBFUJJ-BZZMCLGOSA-N 2 1 286.463 3.499 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000414690341 393051955 /nfs/dbraw/zinc/05/19/55/393051955.db2.gz AIIBDRXDRQKDQP-AEFFLSMTSA-N 2 1 289.467 3.263 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000414690341 393051962 /nfs/dbraw/zinc/05/19/62/393051962.db2.gz AIIBDRXDRQKDQP-AEFFLSMTSA-N 2 1 289.467 3.263 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246607724 393061647 /nfs/dbraw/zinc/06/16/47/393061647.db2.gz HOXNHAYISLHCHL-DLBZAZTESA-N 2 1 264.457 3.444 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000414954694 393063204 /nfs/dbraw/zinc/06/32/04/393063204.db2.gz SXXYLFNNNVJJCA-GXSJLCMTSA-N 2 1 290.304 3.075 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414961175 393066931 /nfs/dbraw/zinc/06/69/31/393066931.db2.gz RRSQWGNVZRPEQE-VXGBXAGGSA-N 2 1 299.256 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CSCCc3ccccc32)CC[N@@H+]1C ZINC000348034183 393111560 /nfs/dbraw/zinc/11/15/60/393111560.db2.gz BMAREQLAANQDQK-UNEWFSDZSA-N 2 1 290.476 3.089 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CSCCc3ccccc32)CC[N@H+]1C ZINC000348034183 393111569 /nfs/dbraw/zinc/11/15/69/393111569.db2.gz BMAREQLAANQDQK-UNEWFSDZSA-N 2 1 290.476 3.089 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250886080 393115239 /nfs/dbraw/zinc/11/52/39/393115239.db2.gz ZZOWDWKIMFMTLI-IHRRRGAJSA-N 2 1 264.438 3.334 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCCCOc1ccccc1)C1CCCC1 ZINC000415065579 393124131 /nfs/dbraw/zinc/12/41/31/393124131.db2.gz NBZZNYMNTMQTRT-SFHVURJKSA-N 2 1 290.451 3.343 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415123230 393151810 /nfs/dbraw/zinc/15/18/10/393151810.db2.gz JFZITDIORJSUBL-ZIAGYGMSSA-N 2 1 286.419 3.412 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000353578425 393225213 /nfs/dbraw/zinc/22/52/13/393225213.db2.gz RHRBOIMCLCNFPC-QWRGUYRKSA-N 2 1 254.340 3.036 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000353578425 393225217 /nfs/dbraw/zinc/22/52/17/393225217.db2.gz RHRBOIMCLCNFPC-QWRGUYRKSA-N 2 1 254.340 3.036 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000469729053 393209498 /nfs/dbraw/zinc/20/94/98/393209498.db2.gz NWTVHJCSOGILNX-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000469729053 393209506 /nfs/dbraw/zinc/20/95/06/393209506.db2.gz NWTVHJCSOGILNX-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000469729053 393209509 /nfs/dbraw/zinc/20/95/09/393209509.db2.gz NWTVHJCSOGILNX-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000469798612 393216349 /nfs/dbraw/zinc/21/63/49/393216349.db2.gz GTPPPJTYQOIEOI-WMLDXEAASA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000469798612 393216356 /nfs/dbraw/zinc/21/63/56/393216356.db2.gz GTPPPJTYQOIEOI-WMLDXEAASA-N 2 1 264.457 3.419 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC000355210348 393261281 /nfs/dbraw/zinc/26/12/81/393261281.db2.gz FIYQJBBPNIQLLN-UHFFFAOYSA-N 2 1 296.418 3.342 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000648870672 393278516 /nfs/dbraw/zinc/27/85/16/393278516.db2.gz IQDOJURCORYQMQ-CYBMUJFWSA-N 2 1 266.454 3.143 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000648870672 393278525 /nfs/dbraw/zinc/27/85/25/393278525.db2.gz IQDOJURCORYQMQ-CYBMUJFWSA-N 2 1 266.454 3.143 20 0 CGADMP Fc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000647233114 393401723 /nfs/dbraw/zinc/40/17/23/393401723.db2.gz UGFWIRKDXLJRLM-DLBZAZTESA-N 2 1 288.410 3.421 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000474822642 393351148 /nfs/dbraw/zinc/35/11/48/393351148.db2.gz PTBZCDRRFGWAHF-HUUCEWRRSA-N 2 1 278.415 3.351 20 0 CGADMP C1=CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647191861 393377400 /nfs/dbraw/zinc/37/74/00/393377400.db2.gz DOTJCFDIJSFLJA-GOSISDBHSA-N 2 1 282.431 3.492 20 0 CGADMP C1=CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647191861 393377406 /nfs/dbraw/zinc/37/74/06/393377406.db2.gz DOTJCFDIJSFLJA-GOSISDBHSA-N 2 1 282.431 3.492 20 0 CGADMP c1ccc(SCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420388403 393480817 /nfs/dbraw/zinc/48/08/17/393480817.db2.gz GVDHSOIIQQOYSD-WBVHZDCISA-N 2 1 290.476 3.243 20 0 CGADMP CC[N@@H+](C[C@@H]1C[C@@H]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488300662 393482249 /nfs/dbraw/zinc/48/22/49/393482249.db2.gz PLTJFEZFQHHRBW-WDSOQIARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[NH+](C[C@@H]1C[C@@H]1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488300662 393482257 /nfs/dbraw/zinc/48/22/57/393482257.db2.gz PLTJFEZFQHHRBW-WDSOQIARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[NH+](C[C@@H]1C[C@@H]1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488300662 393482269 /nfs/dbraw/zinc/48/22/69/393482269.db2.gz PLTJFEZFQHHRBW-WDSOQIARSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000420295017 393451429 /nfs/dbraw/zinc/45/14/29/393451429.db2.gz BTUAUXZEDJPADF-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420309926 393459610 /nfs/dbraw/zinc/45/96/10/393459610.db2.gz UJQBYMUNBYDGGU-FUHWJXTLSA-N 2 1 272.436 3.256 20 0 CGADMP C[C@@]1(c2ccccc2)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311396 393459782 /nfs/dbraw/zinc/45/97/82/393459782.db2.gz VTIXTACHEINQKB-SJLPKXTDSA-N 2 1 272.436 3.040 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420309923 393459861 /nfs/dbraw/zinc/45/98/61/393459861.db2.gz UJQBYMUNBYDGGU-AEFFLSMTSA-N 2 1 272.436 3.256 20 0 CGADMP Cc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(C)n1 ZINC000420316934 393463923 /nfs/dbraw/zinc/46/39/23/393463923.db2.gz OBEVOWIPEICYQX-UHFFFAOYSA-N 2 1 275.440 3.039 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420321356 393465725 /nfs/dbraw/zinc/46/57/25/393465725.db2.gz RAYPCWZHQUFNDE-KGLIPLIRSA-N 2 1 295.496 3.396 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1OC)C1CC[NH2+]CC1 ZINC000420326920 393467243 /nfs/dbraw/zinc/46/72/43/393467243.db2.gz XXTCPLMEJPYSQU-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)cc1OC)C1CC[NH2+]CC1 ZINC000420326920 393467246 /nfs/dbraw/zinc/46/72/46/393467246.db2.gz XXTCPLMEJPYSQU-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000420327373 393468376 /nfs/dbraw/zinc/46/83/76/393468376.db2.gz YOICQZMNPFNVON-GOSISDBHSA-N 2 1 298.430 3.178 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c2ccccc2n1 ZINC000420356319 393471632 /nfs/dbraw/zinc/47/16/32/393471632.db2.gz GDIGKAYVUCEHEW-MRXNPFEDSA-N 2 1 271.408 3.006 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354614 393473537 /nfs/dbraw/zinc/47/35/37/393473537.db2.gz BTXURMGXTASDAT-SJORKVTESA-N 2 1 290.838 3.403 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354614 393473544 /nfs/dbraw/zinc/47/35/44/393473544.db2.gz BTXURMGXTASDAT-SJORKVTESA-N 2 1 290.838 3.403 20 0 CGADMP C(C[N@H+]1CCCC2(CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420361134 393474500 /nfs/dbraw/zinc/47/45/00/393474500.db2.gz MSLCEIQZGYXEKA-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCOC1CCCCCC1)C1CCCCC1 ZINC000420361168 393475058 /nfs/dbraw/zinc/47/50/58/393475058.db2.gz HXEFGSCRFVTKCV-KRWDZBQOSA-N 2 1 282.472 3.223 20 0 CGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420367788 393476829 /nfs/dbraw/zinc/47/68/29/393476829.db2.gz WDHJHIJNHZMSAN-RHSMWYFYSA-N 2 1 278.415 3.454 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000420374978 393478202 /nfs/dbraw/zinc/47/82/02/393478202.db2.gz OLTBFZXIDHNLAM-SECBINFHSA-N 2 1 261.196 3.254 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC000420378418 393478453 /nfs/dbraw/zinc/47/84/53/393478453.db2.gz UDTRDBRQHACCQS-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420407796 393484127 /nfs/dbraw/zinc/48/41/27/393484127.db2.gz OWEXPOMGAUQWQJ-FMKPAKJESA-N 2 1 299.418 3.319 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420407796 393484133 /nfs/dbraw/zinc/48/41/33/393484133.db2.gz OWEXPOMGAUQWQJ-FMKPAKJESA-N 2 1 299.418 3.319 20 0 CGADMP CC1CCC([N@@H+](CCC2CC[NH2+]CC2)C2CC2)CC1 ZINC000359207045 393540799 /nfs/dbraw/zinc/54/07/99/393540799.db2.gz IMLWAAIQCYAAPL-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420400281 393484593 /nfs/dbraw/zinc/48/45/93/393484593.db2.gz IKDZYRLNTVZSNW-NOZJJQNGSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C[C@@H]1C[NH3+] ZINC000420414114 393486936 /nfs/dbraw/zinc/48/69/36/393486936.db2.gz UJJZOJZYRJFIOT-WQGACYEGSA-N 2 1 278.827 3.244 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000488409023 393501779 /nfs/dbraw/zinc/50/17/79/393501779.db2.gz QXPUTNAPFHDESX-QRNKSROTSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000488409023 393501782 /nfs/dbraw/zinc/50/17/82/393501782.db2.gz QXPUTNAPFHDESX-QRNKSROTSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCOC1 ZINC000356831661 393502703 /nfs/dbraw/zinc/50/27/03/393502703.db2.gz DXMFGDHXGWDDMB-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]1C ZINC000488422775 393507256 /nfs/dbraw/zinc/50/72/56/393507256.db2.gz YXSQHCRYYZNVCA-PBHICJAKSA-N 2 1 260.425 3.272 20 0 CGADMP CC(C)[NH+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420927696 393545497 /nfs/dbraw/zinc/54/54/97/393545497.db2.gz BVUWPCYOVLWODJ-UHFFFAOYSA-N 2 1 290.451 3.138 20 0 CGADMP CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000649701691 393548022 /nfs/dbraw/zinc/54/80/22/393548022.db2.gz KFPQLEFVQLYAKM-SFHVURJKSA-N 2 1 299.418 3.262 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000666640946 542804990 /nfs/dbraw/zinc/80/49/90/542804990.db2.gz IGDZWUQUVYVMGU-BFYDXBDKSA-N 2 1 290.476 3.165 20 0 CGADMP Fc1cccc(Cl)c1CCC[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770903 542814540 /nfs/dbraw/zinc/81/45/40/542814540.db2.gz ZDLHUHXDKAFMDM-GFCCVEGCSA-N 2 1 284.806 3.143 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770338 542814558 /nfs/dbraw/zinc/81/45/58/542814558.db2.gz VKSJRYJTYMYLCQ-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000432367829 393607207 /nfs/dbraw/zinc/60/72/07/393607207.db2.gz MQFFEMJNYJGZBX-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000432367829 393607213 /nfs/dbraw/zinc/60/72/13/393607213.db2.gz MQFFEMJNYJGZBX-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2c(C)cccc2C)C1 ZINC000430668348 393583824 /nfs/dbraw/zinc/58/38/24/393583824.db2.gz RDLGAAIMAYXSAT-KRWDZBQOSA-N 2 1 290.451 3.004 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000361133068 393680610 /nfs/dbraw/zinc/68/06/10/393680610.db2.gz UQUDBMYNMYKODX-HOCLYGCPSA-N 2 1 275.440 3.169 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000361133068 393680612 /nfs/dbraw/zinc/68/06/12/393680612.db2.gz UQUDBMYNMYKODX-HOCLYGCPSA-N 2 1 275.440 3.169 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432787530 393639752 /nfs/dbraw/zinc/63/97/52/393639752.db2.gz HDIMDYTXPUOUPA-WMZOPIPTSA-N 2 1 274.452 3.281 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000490799192 393655787 /nfs/dbraw/zinc/65/57/87/393655787.db2.gz UNGVHHZJZXUGLE-QGZVFWFLSA-N 2 1 286.463 3.387 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)s1 ZINC000423267573 393657875 /nfs/dbraw/zinc/65/78/75/393657875.db2.gz UAJHZXQFFDEOMC-WCQYABFASA-N 2 1 254.443 3.389 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccccc1Br ZINC000423277579 393658796 /nfs/dbraw/zinc/65/87/96/393658796.db2.gz PZPPYVJSGLCEBB-FZMZJTMJSA-N 2 1 299.256 3.345 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423299666 393660005 /nfs/dbraw/zinc/66/00/05/393660005.db2.gz QJSINLVMOJGNOR-DGCLKSJQSA-N 2 1 262.388 3.308 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CC[NH2+]1 ZINC000423377382 393663621 /nfs/dbraw/zinc/66/36/21/393663621.db2.gz LOIBXAXURXEERC-OSMZGAPFSA-N 2 1 280.412 3.093 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300978 393709092 /nfs/dbraw/zinc/70/90/92/393709092.db2.gz FBSCFDNOILJLNX-HNNXBMFYSA-N 2 1 289.810 3.334 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300978 393709096 /nfs/dbraw/zinc/70/90/96/393709096.db2.gz FBSCFDNOILJLNX-HNNXBMFYSA-N 2 1 289.810 3.334 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000445817425 393827475 /nfs/dbraw/zinc/82/74/75/393827475.db2.gz FUDRUKQGANHVBA-QGZVFWFLSA-N 2 1 286.463 3.413 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000445817425 393827479 /nfs/dbraw/zinc/82/74/79/393827479.db2.gz FUDRUKQGANHVBA-QGZVFWFLSA-N 2 1 286.463 3.413 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000445817425 393827482 /nfs/dbraw/zinc/82/74/82/393827482.db2.gz FUDRUKQGANHVBA-QGZVFWFLSA-N 2 1 286.463 3.413 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561421 393904236 /nfs/dbraw/zinc/90/42/36/393904236.db2.gz USBCNJNIEPVUAY-WZYMTQMTSA-N 2 1 250.430 3.336 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CCCC1 ZINC000666971562 542830885 /nfs/dbraw/zinc/83/08/85/542830885.db2.gz ZFGDVCAZWLWQRF-AWEZNQCLSA-N 2 1 268.351 3.231 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCc2ccccc2CC1 ZINC000453065207 394158252 /nfs/dbraw/zinc/15/82/52/394158252.db2.gz SYKUYGHPWXWQOK-UHFFFAOYSA-N 2 1 283.419 3.119 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000453067347 394159438 /nfs/dbraw/zinc/15/94/38/394159438.db2.gz AHLPHEGOGWQYHR-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1sccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453605004 394256710 /nfs/dbraw/zinc/25/67/10/394256710.db2.gz ZJNSPSIQKRLKOX-UHFFFAOYSA-N 2 1 252.427 3.021 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453390679 394228736 /nfs/dbraw/zinc/22/87/36/394228736.db2.gz DAXZERLEUBIZAR-HOTGVXAUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453419380 394240844 /nfs/dbraw/zinc/24/08/44/394240844.db2.gz ZAAIHSAFHLKNQB-OAHLLOKOSA-N 2 1 279.403 3.136 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000453592323 394252123 /nfs/dbraw/zinc/25/21/23/394252123.db2.gz DTLGRYKNXZAILS-UHFFFAOYSA-N 2 1 284.806 3.443 20 0 CGADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453590753 394252371 /nfs/dbraw/zinc/25/23/71/394252371.db2.gz BESQLAIAVDIDIU-XJKSGUPXSA-N 2 1 276.424 3.367 20 0 CGADMP C[C@H]1CC[C@@]2(CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000667964663 542951142 /nfs/dbraw/zinc/95/11/42/542951142.db2.gz NJAPCBQMGYNROQ-MAUKXSAKSA-N 2 1 296.418 3.279 20 0 CGADMP C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000667964663 542951144 /nfs/dbraw/zinc/95/11/44/542951144.db2.gz NJAPCBQMGYNROQ-MAUKXSAKSA-N 2 1 296.418 3.279 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668097035 542969257 /nfs/dbraw/zinc/96/92/57/542969257.db2.gz WTRNXCAAESSRJK-ZDUSSCGKSA-N 2 1 261.413 3.087 20 0 CGADMP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]2CCC[C@@H]21 ZINC000668196582 542987711 /nfs/dbraw/zinc/98/77/11/542987711.db2.gz PYYHVNPIFIAIAX-DLBZAZTESA-N 2 1 296.418 3.278 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]2CCC[C@@H]21 ZINC000668196582 542987714 /nfs/dbraw/zinc/98/77/14/542987714.db2.gz PYYHVNPIFIAIAX-DLBZAZTESA-N 2 1 296.418 3.278 20 0 CGADMP C[C@H]([NH2+][C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000668668464 543041239 /nfs/dbraw/zinc/04/12/39/543041239.db2.gz YCNKYWCKFODKRW-IKLKHMQRSA-N 2 1 284.447 3.285 20 0 CGADMP Cc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)cc1C ZINC000094021312 292098161 /nfs/dbraw/zinc/09/81/61/292098161.db2.gz ACTQUYTVSHUPDC-UHFFFAOYSA-N 2 1 272.436 3.267 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC1(C)C)C1CCCCC1 ZINC000551792856 289133399 /nfs/dbraw/zinc/13/33/99/289133399.db2.gz PTDOAKCOHZBQRD-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC000673885894 543257741 /nfs/dbraw/zinc/25/77/41/543257741.db2.gz AMVWPOUEINQKQJ-UHFFFAOYSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000110978737 397654687 /nfs/dbraw/zinc/65/46/87/397654687.db2.gz FKGSVSIZCOIJBZ-WBVHZDCISA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000110978737 397654688 /nfs/dbraw/zinc/65/46/88/397654688.db2.gz FKGSVSIZCOIJBZ-WBVHZDCISA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027692 397611117 /nfs/dbraw/zinc/61/11/17/397611117.db2.gz PNTPXZZIXQNRDM-HIFRSBDPSA-N 2 1 254.377 3.324 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027692 397611121 /nfs/dbraw/zinc/61/11/21/397611121.db2.gz PNTPXZZIXQNRDM-HIFRSBDPSA-N 2 1 254.377 3.324 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CCC2 ZINC000352580249 397685707 /nfs/dbraw/zinc/68/57/07/397685707.db2.gz JYNQIIKUJIKFHL-ZTFGCOKTSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CCC2 ZINC000352580249 397685708 /nfs/dbraw/zinc/68/57/08/397685708.db2.gz JYNQIIKUJIKFHL-ZTFGCOKTSA-N 2 1 272.436 3.302 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000650708567 397898152 /nfs/dbraw/zinc/89/81/52/397898152.db2.gz DUCJOBVMOSQUGJ-FPSMNIFISA-N 2 1 294.483 3.031 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000675655004 543352346 /nfs/dbraw/zinc/35/23/46/543352346.db2.gz YYWFGHPOLZMDEE-AEFFLSMTSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccco1 ZINC000552336451 289182255 /nfs/dbraw/zinc/18/22/55/289182255.db2.gz DQCWRLGJGRUDBK-CABCVRRESA-N 2 1 264.413 3.065 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccco1 ZINC000552336451 289182258 /nfs/dbraw/zinc/18/22/58/289182258.db2.gz DQCWRLGJGRUDBK-CABCVRRESA-N 2 1 264.413 3.065 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000675881801 543369857 /nfs/dbraw/zinc/36/98/57/543369857.db2.gz NNNOZQWEUBNNAR-NJAFHUGGSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)C1 ZINC000676644687 543409479 /nfs/dbraw/zinc/40/94/79/543409479.db2.gz ZFGRGTGMYRUGKC-IIDMSEBBSA-N 2 1 294.483 3.044 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676888130 543422569 /nfs/dbraw/zinc/42/25/69/543422569.db2.gz QCUFLQAYMFCMSB-LBPRGKRZSA-N 2 1 275.318 3.253 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677237931 543440449 /nfs/dbraw/zinc/44/04/49/543440449.db2.gz RBZLKMOKODUTNZ-ROUUACIJSA-N 2 1 286.463 3.489 20 0 CGADMP CC(C)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000678153638 543489373 /nfs/dbraw/zinc/48/93/73/543489373.db2.gz YQZRAGTVXCBMTH-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000678079333 543482370 /nfs/dbraw/zinc/48/23/70/543482370.db2.gz LKUJNGYQODQINI-INIZCTEOSA-N 2 1 276.399 3.279 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000152009087 292240074 /nfs/dbraw/zinc/24/00/74/292240074.db2.gz JQHNYXOVYJHVLA-MUQADHOPSA-N 2 1 274.452 3.417 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000344150486 286280474 /nfs/dbraw/zinc/28/04/74/286280474.db2.gz XNMHAPMGCAQBPT-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834452 287029014 /nfs/dbraw/zinc/02/90/14/287029014.db2.gz JAIWOGAJVMLFDS-KRWDZBQOSA-N 2 1 272.436 3.303 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000066152390 165035500 /nfs/dbraw/zinc/03/55/00/165035500.db2.gz SAIJWFGJKGNEIL-QGZVFWFLSA-N 2 1 290.451 3.426 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000084946442 165176716 /nfs/dbraw/zinc/17/67/16/165176716.db2.gz XAMIPUJPMYAHOL-CJNGLKHVSA-N 2 1 260.425 3.153 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(COC)c2)CC1 ZINC000088553501 165195470 /nfs/dbraw/zinc/19/54/70/165195470.db2.gz XGRDCAMDDGAFCZ-UHFFFAOYSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000090581508 165237827 /nfs/dbraw/zinc/23/78/27/165237827.db2.gz HSEGUCGOOUVENW-NUJGCVRESA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccccc23)CC[N@H+]1C ZINC000090795312 165244517 /nfs/dbraw/zinc/24/45/17/165244517.db2.gz RJRILGRNQPLCEA-OLZOCXBDSA-N 2 1 255.365 3.129 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000091670111 165265937 /nfs/dbraw/zinc/26/59/37/165265937.db2.gz QQAJYOONFGNFPS-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000430694971 287106546 /nfs/dbraw/zinc/10/65/46/287106546.db2.gz FYXCZKQFWSBFDX-LZWOXQAQSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccccc1[C@H]([NH2+]CCC[NH+](C)C)C1CCCC1 ZINC000091262477 287106901 /nfs/dbraw/zinc/10/69/01/287106901.db2.gz VSNZARFDCGZOLR-GOSISDBHSA-N 2 1 290.451 3.468 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccnc2)c1 ZINC000092746236 165310405 /nfs/dbraw/zinc/31/04/05/165310405.db2.gz RLANBYGSARVKKN-HNNXBMFYSA-N 2 1 283.419 3.384 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cccnc1 ZINC000092745495 165313097 /nfs/dbraw/zinc/31/30/97/165313097.db2.gz MIQRRYQCKTZHKF-HNNXBMFYSA-N 2 1 263.429 3.244 20 0 CGADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(C2CC2)c1 ZINC000094518971 165352102 /nfs/dbraw/zinc/35/21/02/165352102.db2.gz MQHZUXSYLOUNHZ-UHFFFAOYSA-N 2 1 270.420 3.280 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000094901158 165394690 /nfs/dbraw/zinc/39/46/90/165394690.db2.gz MKDNPXAXFREUKS-SFHVURJKSA-N 2 1 274.452 3.317 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000096630412 165399552 /nfs/dbraw/zinc/39/95/52/165399552.db2.gz DPYZZLSEPIZJCO-CQSZACIVSA-N 2 1 258.409 3.212 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)cc2C)C1 ZINC000093742251 287118710 /nfs/dbraw/zinc/11/87/10/287118710.db2.gz MBEOWLRQMVEGKM-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)cc2C)C1 ZINC000093742251 287118716 /nfs/dbraw/zinc/11/87/16/287118716.db2.gz MBEOWLRQMVEGKM-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000093742251 287118719 /nfs/dbraw/zinc/11/87/19/287118719.db2.gz MBEOWLRQMVEGKM-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000093742251 287118722 /nfs/dbraw/zinc/11/87/22/287118722.db2.gz MBEOWLRQMVEGKM-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683660 287118877 /nfs/dbraw/zinc/11/88/77/287118877.db2.gz WDIBOOYYCFXHDV-INIZCTEOSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683660 287118879 /nfs/dbraw/zinc/11/88/79/287118879.db2.gz WDIBOOYYCFXHDV-INIZCTEOSA-N 2 1 290.426 3.442 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217508368 287141763 /nfs/dbraw/zinc/14/17/63/287141763.db2.gz SLWZVHIYXKWBJA-RYUDHWBXSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217508368 287141768 /nfs/dbraw/zinc/14/17/68/287141768.db2.gz SLWZVHIYXKWBJA-RYUDHWBXSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H]1CC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000118968527 287162549 /nfs/dbraw/zinc/16/25/49/287162549.db2.gz KXDAKPSCZJKUFW-SJORKVTESA-N 2 1 264.457 3.375 20 0 CGADMP CCC[C@@H](C)[C@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119699142 287172717 /nfs/dbraw/zinc/17/27/17/287172717.db2.gz PGDAPVCTJMKPJA-CJNGLKHVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000120026518 287176524 /nfs/dbraw/zinc/17/65/24/287176524.db2.gz WWEUPEDQQQTLRD-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccncc2)c1)C[C@@H]1CC[NH+](C)C1 ZINC000120922284 287189726 /nfs/dbraw/zinc/18/97/26/287189726.db2.gz RXQIASIHNRUOIP-QGZVFWFLSA-N 2 1 295.430 3.132 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020128919 171016508 /nfs/dbraw/zinc/01/65/08/171016508.db2.gz LXTVRVHXJMULKO-UHFFFAOYSA-N 2 1 286.341 3.281 20 0 CGADMP CC(C)CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000021515780 171312510 /nfs/dbraw/zinc/31/25/10/171312510.db2.gz XHQMUTWCKXOBAG-UHFFFAOYSA-N 2 1 278.440 3.153 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000125965529 287253911 /nfs/dbraw/zinc/25/39/11/287253911.db2.gz VOTOTXDTYQOYTP-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000037248669 173061440 /nfs/dbraw/zinc/06/14/40/173061440.db2.gz KKQUOZVHRNBJHC-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000037267041 173077820 /nfs/dbraw/zinc/07/78/20/173077820.db2.gz ZIVOMYXFTABRHR-NSHDSACASA-N 2 1 284.350 3.033 20 0 CGADMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000037267032 173077944 /nfs/dbraw/zinc/07/79/44/173077944.db2.gz VBUVZZRNSHCQPC-OAHLLOKOSA-N 2 1 260.425 3.357 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408282 173184690 /nfs/dbraw/zinc/18/46/90/173184690.db2.gz CYZKYQUXDSAXEG-HNNXBMFYSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408282 173184693 /nfs/dbraw/zinc/18/46/93/173184693.db2.gz CYZKYQUXDSAXEG-HNNXBMFYSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515610 173246829 /nfs/dbraw/zinc/24/68/29/173246829.db2.gz CNFJXDUEADPTQV-INIZCTEOSA-N 2 1 274.452 3.328 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000038097945 174112001 /nfs/dbraw/zinc/11/20/01/174112001.db2.gz XQXRTMFQPIQIJF-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000513660325 287287472 /nfs/dbraw/zinc/28/74/72/287287472.db2.gz HKPDZGCRLWCSRX-NQNKBUKLSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527918 175192813 /nfs/dbraw/zinc/19/28/13/175192813.db2.gz GBOORGCJGUMORA-VXGBXAGGSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527918 175192815 /nfs/dbraw/zinc/19/28/15/175192815.db2.gz GBOORGCJGUMORA-VXGBXAGGSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000129273573 287327955 /nfs/dbraw/zinc/32/79/55/287327955.db2.gz ZTTYZCHUCUFYCF-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC000311084412 416531281 /nfs/dbraw/zinc/53/12/81/416531281.db2.gz GPYGWLALQICHGM-HOTGVXAUSA-N 2 1 250.430 3.018 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)s1 ZINC000404429440 416553613 /nfs/dbraw/zinc/55/36/13/416553613.db2.gz NRAXPJILXOLECQ-ABAIWWIYSA-N 2 1 266.454 3.314 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCc2ccccc2)[C@@H]1CC[NH3+] ZINC000404412392 416553751 /nfs/dbraw/zinc/55/37/51/416553751.db2.gz YQQVUUPGUVIRHF-NVXWUHKLSA-N 2 1 260.425 3.069 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000404494523 416554093 /nfs/dbraw/zinc/55/40/93/416554093.db2.gz DZZBJSNYLRBOMS-DOMZBBRYSA-N 2 1 296.842 3.298 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000404494523 416554097 /nfs/dbraw/zinc/55/40/97/416554097.db2.gz DZZBJSNYLRBOMS-DOMZBBRYSA-N 2 1 296.842 3.298 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)[C@H]1CC[NH3+] ZINC000404445193 416555353 /nfs/dbraw/zinc/55/53/53/416555353.db2.gz WYERGOMJTXWUJF-YOEHRIQHSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)[C@H]1CC[NH3+] ZINC000404445193 416555357 /nfs/dbraw/zinc/55/53/57/416555357.db2.gz WYERGOMJTXWUJF-YOEHRIQHSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)[C@H]1CC[NH3+] ZINC000404405216 416555583 /nfs/dbraw/zinc/55/55/83/416555583.db2.gz UIUWVKIRALLXAF-KSSFIOAISA-N 2 1 283.419 3.184 20 0 CGADMP CCO[C@@H]1C[N@H+]([C@H](C)c2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000405600275 416559077 /nfs/dbraw/zinc/55/90/77/416559077.db2.gz PCIOMYCBPNUCAW-IDHHARJASA-N 2 1 298.430 3.196 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000679444158 543636985 /nfs/dbraw/zinc/63/69/85/543636985.db2.gz UAYDMZNCULKWJO-NJAFHUGGSA-N 2 1 294.483 3.188 20 0 CGADMP CCC(CC)(CC)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000679997762 543674302 /nfs/dbraw/zinc/67/43/02/543674302.db2.gz STEALDBAAHOOCX-KRWDZBQOSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832434 543946700 /nfs/dbraw/zinc/94/67/00/543946700.db2.gz SSYHNNMMFWQECL-RTBURBONSA-N 2 1 295.430 3.151 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000684370160 543986894 /nfs/dbraw/zinc/98/68/94/543986894.db2.gz NMXJHWFWLPNBPR-YESZJQIVSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CCC[NH+](C)C ZINC000685452043 544072010 /nfs/dbraw/zinc/07/20/10/544072010.db2.gz HUDLBOCRXYIRBU-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CCC[NH+](C)C ZINC000685452043 544072012 /nfs/dbraw/zinc/07/20/12/544072012.db2.gz HUDLBOCRXYIRBU-UHFFFAOYSA-N 2 1 288.357 3.397 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000685470457 544076798 /nfs/dbraw/zinc/07/67/98/544076798.db2.gz QRFMDHLONFOTEG-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000685470457 544076801 /nfs/dbraw/zinc/07/68/01/544076801.db2.gz QRFMDHLONFOTEG-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000685470457 544076805 /nfs/dbraw/zinc/07/68/05/544076805.db2.gz QRFMDHLONFOTEG-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000685470457 544076807 /nfs/dbraw/zinc/07/68/07/544076807.db2.gz QRFMDHLONFOTEG-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C\c2ccc(F)cc2)C1 ZINC000685470752 544077153 /nfs/dbraw/zinc/07/71/53/544077153.db2.gz PUNIKRUQUDUBQB-QNMZXZFYSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C\c2ccc(F)cc2)C1 ZINC000685470752 544077155 /nfs/dbraw/zinc/07/71/55/544077155.db2.gz PUNIKRUQUDUBQB-QNMZXZFYSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C\c2ccc(F)cc2)C1 ZINC000685470752 544077157 /nfs/dbraw/zinc/07/71/57/544077157.db2.gz PUNIKRUQUDUBQB-QNMZXZFYSA-N 2 1 288.410 3.255 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2cnccc2c1 ZINC000685470266 544077301 /nfs/dbraw/zinc/07/73/01/544077301.db2.gz CROXAUIGOYJNFH-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2cnccc2c1 ZINC000685470266 544077304 /nfs/dbraw/zinc/07/73/04/544077304.db2.gz CROXAUIGOYJNFH-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2cnccc2c1 ZINC000685470266 544077306 /nfs/dbraw/zinc/07/73/06/544077306.db2.gz CROXAUIGOYJNFH-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000685470266 544077308 /nfs/dbraw/zinc/07/73/08/544077308.db2.gz CROXAUIGOYJNFH-KBXCAEBGSA-N 2 1 283.419 3.007 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2C2CC2)C1 ZINC000685471133 544078366 /nfs/dbraw/zinc/07/83/66/544078366.db2.gz OENQQBFXLXFPFV-PKOBYXMFSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471133 544078367 /nfs/dbraw/zinc/07/83/67/544078367.db2.gz OENQQBFXLXFPFV-PKOBYXMFSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471133 544078369 /nfs/dbraw/zinc/07/83/69/544078369.db2.gz OENQQBFXLXFPFV-PKOBYXMFSA-N 2 1 284.447 3.480 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684954450 544043229 /nfs/dbraw/zinc/04/32/29/544043229.db2.gz SSTMPWAUUSUWDQ-KRWDZBQOSA-N 2 1 287.451 3.169 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000685477622 544080829 /nfs/dbraw/zinc/08/08/29/544080829.db2.gz BDFKKOMXLKBSBN-JKSUJKDBSA-N 2 1 290.451 3.263 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000685477622 544080830 /nfs/dbraw/zinc/08/08/30/544080830.db2.gz BDFKKOMXLKBSBN-JKSUJKDBSA-N 2 1 290.451 3.263 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000685666169 544094304 /nfs/dbraw/zinc/09/43/04/544094304.db2.gz OGOOPUPZTOVLIU-HZMVEIRTSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000685666169 544094305 /nfs/dbraw/zinc/09/43/05/544094305.db2.gz OGOOPUPZTOVLIU-HZMVEIRTSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000367185537 227187389 /nfs/dbraw/zinc/18/73/89/227187389.db2.gz JEWZDAGKCFOVFK-MCPWVCTESA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000367185537 227187394 /nfs/dbraw/zinc/18/73/94/227187394.db2.gz JEWZDAGKCFOVFK-MCPWVCTESA-N 2 1 294.389 3.283 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cccs1 ZINC000652220755 418937653 /nfs/dbraw/zinc/93/76/53/418937653.db2.gz IPKXCUOCCREYPI-CYBMUJFWSA-N 2 1 254.443 3.377 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355856 418956771 /nfs/dbraw/zinc/95/67/71/418956771.db2.gz JZMKYOXPYZEIBY-ZFWWWQNUSA-N 2 1 278.465 3.358 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000659866710 419020231 /nfs/dbraw/zinc/02/02/31/419020231.db2.gz HSXYZLRIWOIWSQ-CYBMUJFWSA-N 2 1 276.415 3.472 20 0 CGADMP Cn1cncc1CCC[N@@H+](C1CC1)C1CCCCC1 ZINC000653496304 419038800 /nfs/dbraw/zinc/03/88/00/419038800.db2.gz MYGUYNLROQRYGU-UHFFFAOYSA-N 2 1 261.413 3.150 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C1CC1)C1CCCCC1 ZINC000653496304 419038802 /nfs/dbraw/zinc/03/88/02/419038802.db2.gz MYGUYNLROQRYGU-UHFFFAOYSA-N 2 1 261.413 3.150 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C1CC1)C1CCCCC1 ZINC000653496304 419038804 /nfs/dbraw/zinc/03/88/04/419038804.db2.gz MYGUYNLROQRYGU-UHFFFAOYSA-N 2 1 261.413 3.150 20 0 CGADMP CC(C)=CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659956633 419045501 /nfs/dbraw/zinc/04/55/01/419045501.db2.gz LIIHMWFISAOKNP-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP C(CC1CCC1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659955785 419045618 /nfs/dbraw/zinc/04/56/18/419045618.db2.gz DDUUBSXHZCNDMO-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP c1ccc2[nH+]c(NCC3CC[NH+](CC4CC4)CC3)[nH]c2c1 ZINC000664647245 418990409 /nfs/dbraw/zinc/99/04/09/418990409.db2.gz NBTOSXJHJIKYDS-UHFFFAOYSA-N 2 1 284.407 3.097 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000653776266 419082656 /nfs/dbraw/zinc/08/26/56/419082656.db2.gz XNIYHAZRAFXLBB-UHFFFAOYSA-N 2 1 289.810 3.285 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653813830 419090785 /nfs/dbraw/zinc/09/07/85/419090785.db2.gz FOORRXKNYCPWPS-KRWDZBQOSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653813830 419090788 /nfs/dbraw/zinc/09/07/88/419090788.db2.gz FOORRXKNYCPWPS-KRWDZBQOSA-N 2 1 291.439 3.005 20 0 CGADMP CCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251244 419093631 /nfs/dbraw/zinc/09/36/31/419093631.db2.gz KVYMYEWLKKHDEV-BRWVUGGUSA-N 2 1 260.425 3.300 20 0 CGADMP COc1c(C)cccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000655810899 419102831 /nfs/dbraw/zinc/10/28/31/419102831.db2.gz ORCYQRRKPGYXOO-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659989735 419056413 /nfs/dbraw/zinc/05/64/13/419056413.db2.gz SDAFMHQWVMZTJC-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659989735 419056416 /nfs/dbraw/zinc/05/64/16/419056416.db2.gz SDAFMHQWVMZTJC-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655684310 419064825 /nfs/dbraw/zinc/06/48/25/419064825.db2.gz NRXQEVOBXBHFFS-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)=CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660115171 419080240 /nfs/dbraw/zinc/08/02/40/419080240.db2.gz LRECEDCUQBKZDC-NVXWUHKLSA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000660115171 419080243 /nfs/dbraw/zinc/08/02/43/419080243.db2.gz LRECEDCUQBKZDC-NVXWUHKLSA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)=CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000660115171 419080247 /nfs/dbraw/zinc/08/02/47/419080247.db2.gz LRECEDCUQBKZDC-NVXWUHKLSA-N 2 1 262.441 3.291 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000655939309 419129242 /nfs/dbraw/zinc/12/92/42/419129242.db2.gz FZXQRBIOOFVEID-USXIJHARSA-N 2 1 294.483 3.031 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C1 ZINC000656197387 419148408 /nfs/dbraw/zinc/14/84/08/419148408.db2.gz FQXLOWWKNBJMRU-GHMZBOCLSA-N 2 1 295.839 3.309 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666082900 419188259 /nfs/dbraw/zinc/18/82/59/419188259.db2.gz QWILRLCLAGBUKU-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000655942402 419128909 /nfs/dbraw/zinc/12/89/09/419128909.db2.gz QRHALVDXSSTJFT-BRWVUGGUSA-N 2 1 294.483 3.174 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CO1 ZINC000657396573 419269292 /nfs/dbraw/zinc/26/92/92/419269292.db2.gz MTZHWZHAIZMUQE-RPVQJOFSSA-N 2 1 299.418 3.399 20 0 CGADMP FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000656788161 419219414 /nfs/dbraw/zinc/21/94/14/419219414.db2.gz QCZPXNYSXIGAKA-ZNMIVQPWSA-N 2 1 298.352 3.293 20 0 CGADMP Fc1cc(F)cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785539 419219951 /nfs/dbraw/zinc/21/99/51/419219951.db2.gz LQNVMWDPNYDSEM-OAHLLOKOSA-N 2 1 294.389 3.176 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CCCC1 ZINC000656788785 419221474 /nfs/dbraw/zinc/22/14/74/419221474.db2.gz ZESXCALBTHUHGI-UHFFFAOYSA-N 2 1 289.810 3.249 20 0 CGADMP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000657483528 419289681 /nfs/dbraw/zinc/28/96/81/419289681.db2.gz RUJFOTKDDDBIDK-ALOPSCKCSA-N 2 1 288.435 3.109 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@H]1CNC/C=C\c1ccc(F)cc1 ZINC000657523089 419297667 /nfs/dbraw/zinc/29/76/67/419297667.db2.gz DFOHAVFTZKZCQE-AWFCHZOYSA-N 2 1 276.399 3.301 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC/C=C\c1ccc(F)cc1 ZINC000657523089 419297669 /nfs/dbraw/zinc/29/76/69/419297669.db2.gz DFOHAVFTZKZCQE-AWFCHZOYSA-N 2 1 276.399 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661870025 419310033 /nfs/dbraw/zinc/31/00/33/419310033.db2.gz BCAOIFNRIZWRQV-MSOLQXFVSA-N 2 1 294.483 3.142 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(C[NH+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661969470 419316909 /nfs/dbraw/zinc/31/69/09/419316909.db2.gz JNFDWJCIEWDLOS-XNFNUYLZSA-N 2 1 296.458 3.370 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000662299848 419387629 /nfs/dbraw/zinc/38/76/29/419387629.db2.gz YLDGDCKQJAZTIO-OAHLLOKOSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662303809 419388721 /nfs/dbraw/zinc/38/87/21/419388721.db2.gz GZQPAXXJAVCVHE-VNSJNIRKSA-N 2 1 266.388 3.324 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000662318559 419390256 /nfs/dbraw/zinc/39/02/56/419390256.db2.gz BOWYHTRGEUDILJ-FUCXHRTASA-N 2 1 270.420 3.095 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000662243729 419369603 /nfs/dbraw/zinc/36/96/03/419369603.db2.gz JSJVGDKZJJCEQW-CZUORRHYSA-N 2 1 260.425 3.153 20 0 CGADMP COC1([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657825020 419374697 /nfs/dbraw/zinc/37/46/97/419374697.db2.gz UPGIDCKNJIYKJO-INIZCTEOSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264365 419374781 /nfs/dbraw/zinc/37/47/81/419374781.db2.gz JGRFYSUQAQETKP-UIBIWLFHSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000657836767 419380575 /nfs/dbraw/zinc/38/05/75/419380575.db2.gz BBTUFGMTHAEFMU-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCSCC2)C1 ZINC000657837955 419380735 /nfs/dbraw/zinc/38/07/35/419380735.db2.gz KXAUGCFPXCWKTR-CVEARBPZSA-N 2 1 284.513 3.374 20 0 CGADMP CC(C)=CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274818 419381740 /nfs/dbraw/zinc/38/17/40/419381740.db2.gz XIEKAQXMDNCGJR-HZPDHXFCSA-N 2 1 250.430 3.054 20 0 CGADMP c1cncc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662277972 419381930 /nfs/dbraw/zinc/38/19/30/419381930.db2.gz VPJQWSNEUSLGIF-LJQANCHMSA-N 2 1 293.414 3.064 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1nsc2ccccc21 ZINC000662273516 419382437 /nfs/dbraw/zinc/38/24/37/419382437.db2.gz NZUAIQDLAZAUMP-CYBMUJFWSA-N 2 1 289.448 3.042 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662274681 419382843 /nfs/dbraw/zinc/38/28/43/419382843.db2.gz WBQCJVPUBXZHDE-IRXDYDNUSA-N 2 1 264.457 3.278 20 0 CGADMP CC(C)c1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000663317193 419552553 /nfs/dbraw/zinc/55/25/53/419552553.db2.gz LGWGRMKYIZLNJW-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP C([NH2+]C1CCCCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347515 419567086 /nfs/dbraw/zinc/56/70/86/419567086.db2.gz MVQNKPLZHIIONH-MRXNPFEDSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000658128723 419607655 /nfs/dbraw/zinc/60/76/55/419607655.db2.gz XCCWOGGKIOBGRM-FICVDOATSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC000658229358 419688715 /nfs/dbraw/zinc/68/87/15/419688715.db2.gz QVLIEKOXSRRXHS-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC000658229358 419688721 /nfs/dbraw/zinc/68/87/21/419688721.db2.gz QVLIEKOXSRRXHS-UONOGXRCSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000394505359 261189774 /nfs/dbraw/zinc/18/97/74/261189774.db2.gz FTBBNJVBUABXMR-ZSNVMCELSA-N 2 1 264.457 3.418 20 0 CGADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCCCCC1 ZINC000394525918 263260331 /nfs/dbraw/zinc/26/03/31/263260331.db2.gz FHGCNBHXDNWNCF-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCCCCC1 ZINC000394525918 263260332 /nfs/dbraw/zinc/26/03/32/263260332.db2.gz FHGCNBHXDNWNCF-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000037318608 270029287 /nfs/dbraw/zinc/02/92/87/270029287.db2.gz DAMIWDJNXCYKSK-CYBMUJFWSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534740 270036203 /nfs/dbraw/zinc/03/62/03/270036203.db2.gz RPTCTXBJJKLELU-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044532574 270036228 /nfs/dbraw/zinc/03/62/28/270036228.db2.gz DJSRGTOUZVJHBT-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000044534292 270036910 /nfs/dbraw/zinc/03/69/10/270036910.db2.gz QUHAYZKDGFIYND-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000044534292 270036912 /nfs/dbraw/zinc/03/69/12/270036912.db2.gz QUHAYZKDGFIYND-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044535579 270036918 /nfs/dbraw/zinc/03/69/18/270036918.db2.gz DSHKQURYYKKANV-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185512940 270063205 /nfs/dbraw/zinc/06/32/05/270063205.db2.gz VVVHSTCQQMXEEP-ROKHWSDSSA-N 2 1 292.389 3.239 20 0 CGADMP CCc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000189378438 270071737 /nfs/dbraw/zinc/07/17/37/270071737.db2.gz MDNXMAZEZOCKTI-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000189378438 270071738 /nfs/dbraw/zinc/07/17/38/270071738.db2.gz MDNXMAZEZOCKTI-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000189378438 270071739 /nfs/dbraw/zinc/07/17/39/270071739.db2.gz MDNXMAZEZOCKTI-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP CC(C)C(C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000229532897 270088109 /nfs/dbraw/zinc/08/81/09/270088109.db2.gz DTEHJTQBRBUHEG-HOTGVXAUSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C(C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C(C)C ZINC000229532897 270088110 /nfs/dbraw/zinc/08/81/10/270088110.db2.gz DTEHJTQBRBUHEG-HOTGVXAUSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+](CCC[NH2+]C1Cc2ccccc2C1)Cc1ccccc1 ZINC000237078196 270089868 /nfs/dbraw/zinc/08/98/68/270089868.db2.gz XIPNBGXZAZTLCP-UHFFFAOYSA-N 2 1 294.442 3.266 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000322480437 270093494 /nfs/dbraw/zinc/09/34/94/270093494.db2.gz SYAHMOONWMINSK-PMPSAXMXSA-N 2 1 250.430 3.172 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322612875 270093794 /nfs/dbraw/zinc/09/37/94/270093794.db2.gz PEKZJDYVXJUVHE-JBNOBCIYSA-N 2 1 262.441 3.194 20 0 CGADMP CC[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000527115796 270125887 /nfs/dbraw/zinc/12/58/87/270125887.db2.gz KVDFMWAMBHTAJD-RHSMWYFYSA-N 2 1 278.415 3.393 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527864702 270140509 /nfs/dbraw/zinc/14/05/09/270140509.db2.gz KEDMUHDEDNQRJD-CGTJXYLNSA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527864702 270140510 /nfs/dbraw/zinc/14/05/10/270140510.db2.gz KEDMUHDEDNQRJD-CGTJXYLNSA-N 2 1 274.452 3.470 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527868226 270140866 /nfs/dbraw/zinc/14/08/66/270140866.db2.gz CPCZMLDFPUAXKK-XHSDSOJGSA-N 2 1 264.457 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527845131 270139267 /nfs/dbraw/zinc/13/92/67/270139267.db2.gz BXDYLXGDPJKNIU-ZBEGNZNMSA-N 2 1 296.817 3.398 20 0 CGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H]1CC12CC2 ZINC000527848857 270139468 /nfs/dbraw/zinc/13/94/68/270139468.db2.gz SWVNYUAJBVGGER-KBPBESRZSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000527854173 270139925 /nfs/dbraw/zinc/13/99/25/270139925.db2.gz VMGCCEFJROKFJL-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC(C)(C)C2)C[C@@H]1C ZINC000528398643 270164107 /nfs/dbraw/zinc/16/41/07/270164107.db2.gz UTPWXXKGNZXNBC-ZFWWWQNUSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C[C@@H]1C ZINC000528398643 270164108 /nfs/dbraw/zinc/16/41/08/270164108.db2.gz UTPWXXKGNZXNBC-ZFWWWQNUSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C[C@@H]1C ZINC000528398643 270164109 /nfs/dbraw/zinc/16/41/09/270164109.db2.gz UTPWXXKGNZXNBC-ZFWWWQNUSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)[C@@H]1CCCC[NH2+]1 ZINC000530215252 270195670 /nfs/dbraw/zinc/19/56/70/270195670.db2.gz FZEOIEPAZIJINK-FGYQRGMUSA-N 2 1 290.838 3.098 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc(C3CC3)s2)CC1 ZINC000530411786 270199523 /nfs/dbraw/zinc/19/95/23/270199523.db2.gz RULPZLSVDLRYGD-UHFFFAOYSA-N 2 1 291.464 3.081 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000530513230 270200773 /nfs/dbraw/zinc/20/07/73/270200773.db2.gz UHKVGEDHKWCDGS-INIZCTEOSA-N 2 1 289.810 3.283 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCCCC2)C[C@@H]1C ZINC000530905575 270203900 /nfs/dbraw/zinc/20/39/00/270203900.db2.gz JLCSEXQSHPTCHD-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCCCC2)C[C@@H]1C ZINC000530905575 270203901 /nfs/dbraw/zinc/20/39/01/270203901.db2.gz JLCSEXQSHPTCHD-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCCCC2)C[C@@H]1C ZINC000530905575 270203902 /nfs/dbraw/zinc/20/39/02/270203902.db2.gz JLCSEXQSHPTCHD-HOCLYGCPSA-N 2 1 252.446 3.371 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000235414392 273597774 /nfs/dbraw/zinc/59/77/74/273597774.db2.gz PFCKTBKVEHZPOW-DZGCQCFKSA-N 2 1 262.441 3.195 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000423459797 273721557 /nfs/dbraw/zinc/72/15/57/273721557.db2.gz IKALZQOTKYHTCT-OCCSQVGLSA-N 2 1 264.438 3.167 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422966611 274238309 /nfs/dbraw/zinc/23/83/09/274238309.db2.gz NWBMFSNRMXORJB-HUYLIWGRSA-N 2 1 294.442 3.481 20 0 CGADMP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C[C@@H](C)O1 ZINC000353599294 274283251 /nfs/dbraw/zinc/28/32/51/274283251.db2.gz WZSXVDBIFIDEDN-AGTSVGGPSA-N 2 1 294.483 3.043 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000271919913 274312904 /nfs/dbraw/zinc/31/29/04/274312904.db2.gz ZVWRXXARUASTHV-RDTXWAMCSA-N 2 1 270.420 3.477 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CC2)c2sccc21 ZINC000423278394 274318583 /nfs/dbraw/zinc/31/85/83/274318583.db2.gz PUJFNYXEDZHWJL-JIMOISOXSA-N 2 1 250.411 3.013 20 0 CGADMP Cc1ccc2cc[nH+]c(N3CCC[C@@H]([NH+](C)C)CC3)c2c1 ZINC000335361484 274783009 /nfs/dbraw/zinc/78/30/09/274783009.db2.gz YQQVPOIEFGRPPO-MRXNPFEDSA-N 2 1 283.419 3.464 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000248838428 287787068 /nfs/dbraw/zinc/78/70/68/287787068.db2.gz DUKSCXCIDKAZAY-UMVBOHGHSA-N 2 1 263.429 3.242 20 0 CGADMP C([NH2+]C1CC2(C1)CCCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000421332273 275394463 /nfs/dbraw/zinc/39/44/63/275394463.db2.gz LITXSVRZSDIEKW-AWEZNQCLSA-N 2 1 262.441 3.173 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCCC1 ZINC000094722683 275396279 /nfs/dbraw/zinc/39/62/79/275396279.db2.gz FJGVZPGETFZJDH-JKSUJKDBSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CS1 ZINC000365209830 276033348 /nfs/dbraw/zinc/03/33/48/276033348.db2.gz YZBVATVDKWQVRT-XRMFNRFGSA-N 2 1 282.497 3.121 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CS1 ZINC000365209830 276033349 /nfs/dbraw/zinc/03/33/49/276033349.db2.gz YZBVATVDKWQVRT-XRMFNRFGSA-N 2 1 282.497 3.121 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000123978332 276075956 /nfs/dbraw/zinc/07/59/56/276075956.db2.gz RWOZNSMMVWVXNL-AWEZNQCLSA-N 2 1 260.425 3.417 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000131451907 276097758 /nfs/dbraw/zinc/09/77/58/276097758.db2.gz YQAREQDILKLEFA-CYBMUJFWSA-N 2 1 281.469 3.150 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000344829229 276105425 /nfs/dbraw/zinc/10/54/25/276105425.db2.gz NKNSDSQJIDYUIH-GOEBONIOSA-N 2 1 264.413 3.270 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757923 276106324 /nfs/dbraw/zinc/10/63/24/276106324.db2.gz PAWDRWJKMMMPTF-CVEARBPZSA-N 2 1 250.430 3.006 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353232799 276151074 /nfs/dbraw/zinc/15/10/74/276151074.db2.gz LULXEOGLSSUGOD-LBPRGKRZSA-N 2 1 274.399 3.274 20 0 CGADMP CC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000019912899 276191044 /nfs/dbraw/zinc/19/10/44/276191044.db2.gz NSZPBQBLWOYGNO-PCKAHOCUSA-N 2 1 252.446 3.419 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483500236 276205947 /nfs/dbraw/zinc/20/59/47/276205947.db2.gz GVUFJHJPISTSNX-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483500236 276205948 /nfs/dbraw/zinc/20/59/48/276205948.db2.gz GVUFJHJPISTSNX-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483500236 276205949 /nfs/dbraw/zinc/20/59/49/276205949.db2.gz GVUFJHJPISTSNX-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000295906343 276221687 /nfs/dbraw/zinc/22/16/87/276221687.db2.gz IYGNNWSWQOEUID-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccccc2)C[C@@H]1C ZINC000338547087 276225393 /nfs/dbraw/zinc/22/53/93/276225393.db2.gz QUUHFLAEXPTOJJ-SZMVWBNQSA-N 2 1 290.451 3.179 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)c2ccccc2)C[C@@H]1C ZINC000338547087 276225394 /nfs/dbraw/zinc/22/53/94/276225394.db2.gz QUUHFLAEXPTOJJ-SZMVWBNQSA-N 2 1 290.451 3.179 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)c2ccccc2)C[C@@H]1C ZINC000338547087 276225395 /nfs/dbraw/zinc/22/53/95/276225395.db2.gz QUUHFLAEXPTOJJ-SZMVWBNQSA-N 2 1 290.451 3.179 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)c2ccccc2)C[C@@H]1C ZINC000338547087 276225396 /nfs/dbraw/zinc/22/53/96/276225396.db2.gz QUUHFLAEXPTOJJ-SZMVWBNQSA-N 2 1 290.451 3.179 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275496432 277023558 /nfs/dbraw/zinc/02/35/58/277023558.db2.gz LRDMMPYRYSOHEW-MSOLQXFVSA-N 2 1 270.420 3.174 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000351775604 277046046 /nfs/dbraw/zinc/04/60/46/277046046.db2.gz QVWNEUZAHYGYHK-HNNXBMFYSA-N 2 1 282.472 3.140 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3CCCCC3)CC[C@H]21 ZINC000483266783 277068399 /nfs/dbraw/zinc/06/83/99/277068399.db2.gz GCJVZGMOELFZBD-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@H]21 ZINC000483266783 277068400 /nfs/dbraw/zinc/06/84/00/277068400.db2.gz GCJVZGMOELFZBD-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@H]21 ZINC000483266783 277068401 /nfs/dbraw/zinc/06/84/01/277068401.db2.gz GCJVZGMOELFZBD-IAGOWNOFSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC3=CCCCC3)CC[C@@H]21 ZINC000450503162 277083677 /nfs/dbraw/zinc/08/36/77/277083677.db2.gz RGFONFHGZLEEJC-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]21 ZINC000450503162 277083680 /nfs/dbraw/zinc/08/36/80/277083680.db2.gz RGFONFHGZLEEJC-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC3=CCCCC3)CC[C@@H]21 ZINC000450503162 277083682 /nfs/dbraw/zinc/08/36/82/277083682.db2.gz RGFONFHGZLEEJC-IRXDYDNUSA-N 2 1 262.441 3.293 20 0 CGADMP CC(C)(C)C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000311163064 277132227 /nfs/dbraw/zinc/13/22/27/277132227.db2.gz MWLIJHKXHMSDQD-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000090721666 277341498 /nfs/dbraw/zinc/34/14/98/277341498.db2.gz RMISWLVNSHVBOF-LMPOIIKSSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000090721666 277341499 /nfs/dbraw/zinc/34/14/99/277341499.db2.gz RMISWLVNSHVBOF-LMPOIIKSSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000246470801 277397073 /nfs/dbraw/zinc/39/70/73/277397073.db2.gz QLBIHZHYBVGSIX-HUUCEWRRSA-N 2 1 252.446 3.133 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453392386 278036198 /nfs/dbraw/zinc/03/61/98/278036198.db2.gz FCUFAHACMPQCLG-QGZVFWFLSA-N 2 1 288.435 3.147 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CC(C)(C)C2)([NH+](C)C)C1 ZINC000395289781 288007782 /nfs/dbraw/zinc/00/77/82/288007782.db2.gz JJMISSJYDCREDY-CZUORRHYSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000395292572 288007978 /nfs/dbraw/zinc/00/79/78/288007978.db2.gz LHARGNHCWSIZID-INIZCTEOSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000269008379 278229250 /nfs/dbraw/zinc/22/92/50/278229250.db2.gz MXVKRYOIXUYQEZ-HOCLYGCPSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423357386 278251036 /nfs/dbraw/zinc/25/10/36/278251036.db2.gz AHOABZZWEPAFIT-AAEUAGOBSA-N 2 1 287.432 3.124 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC1(C)C ZINC000397654222 288026278 /nfs/dbraw/zinc/02/62/78/288026278.db2.gz MMZRDERCUGUWOR-LUGNKYPNSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397654222 288026282 /nfs/dbraw/zinc/02/62/82/288026282.db2.gz MMZRDERCUGUWOR-LUGNKYPNSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414653805 278266157 /nfs/dbraw/zinc/26/61/57/278266157.db2.gz IJAVNKCMUFJXPD-NWDGAFQWSA-N 2 1 286.341 3.090 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@]1(C)CCCO1 ZINC000340187192 278343599 /nfs/dbraw/zinc/34/35/99/278343599.db2.gz UWJTZWCVKGAYPQ-ZACQAIPSSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)c1ccccc1 ZINC000278863357 278351979 /nfs/dbraw/zinc/35/19/79/278351979.db2.gz BCJLPAQOOCCEBV-CVEARBPZSA-N 2 1 297.446 3.401 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000166020886 278884880 /nfs/dbraw/zinc/88/48/80/278884880.db2.gz HDZWJOVQQFDQMX-KRWDZBQOSA-N 2 1 258.409 3.056 20 0 CGADMP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C[C@H]1c1ccccc1 ZINC000415003948 279125363 /nfs/dbraw/zinc/12/53/63/279125363.db2.gz PPTOSEJFOLZZGM-ARLBYUKCSA-N 2 1 294.389 3.013 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000128884945 279507150 /nfs/dbraw/zinc/50/71/50/279507150.db2.gz OUIADJJAZXZNNT-NWDGAFQWSA-N 2 1 252.789 3.133 20 0 CGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2(F)CC2)CC1 ZINC000527510423 288174270 /nfs/dbraw/zinc/17/42/70/288174270.db2.gz PDHSAWOANKPPSY-UHFFFAOYSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000459738487 280010499 /nfs/dbraw/zinc/01/04/99/280010499.db2.gz RVIAARXRHPPUSJ-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[NH+]1CCCC1 ZINC000480791075 280145366 /nfs/dbraw/zinc/14/53/66/280145366.db2.gz PZJHCQHOWKQPLP-OALUTQOASA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000423467761 280166384 /nfs/dbraw/zinc/16/63/84/280166384.db2.gz OBYKFPNDTXMZIF-DZGCQCFKSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000437108077 280229819 /nfs/dbraw/zinc/22/98/19/280229819.db2.gz MCKMMBZYEQVBNU-XQQFMLRXSA-N 2 1 278.362 3.180 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1cccnc1 ZINC000247101016 280255349 /nfs/dbraw/zinc/25/53/49/280255349.db2.gz OPWRVEJIMGYUEU-CIRFHOKZSA-N 2 1 289.467 3.140 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000401683597 280261655 /nfs/dbraw/zinc/26/16/55/280261655.db2.gz AVAMXNYKCBCYIV-ZJIFWQFVSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423445223 280638870 /nfs/dbraw/zinc/63/88/70/280638870.db2.gz MMHMVRYKXBXNBV-ZENOOKHLSA-N 2 1 276.424 3.349 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423242358 280799756 /nfs/dbraw/zinc/79/97/56/280799756.db2.gz VMUJIVMSFSISQO-GOEBONIOSA-N 2 1 258.409 3.022 20 0 CGADMP Cc1ccc([C@H]2C[C@H](C)[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000261957417 281005652 /nfs/dbraw/zinc/00/56/52/281005652.db2.gz OUQLTMVZDFHWMS-YJBOKZPZSA-N 2 1 272.436 3.172 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261574933 281016425 /nfs/dbraw/zinc/01/64/25/281016425.db2.gz BJKGWFDRPQETNG-ARLBYUKCSA-N 2 1 278.827 3.460 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152387420 281273090 /nfs/dbraw/zinc/27/30/90/281273090.db2.gz ZCGSSSKDVZQKAC-KBXCAEBGSA-N 2 1 270.420 3.056 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359215117 281281332 /nfs/dbraw/zinc/28/13/32/281281332.db2.gz QGUIORNBBXSBNO-HNNXBMFYSA-N 2 1 278.465 3.447 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000189468053 281285011 /nfs/dbraw/zinc/28/50/11/281285011.db2.gz ZXYNMRGACFPDIR-INMHGKMJSA-N 2 1 286.419 3.035 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000189468053 281285012 /nfs/dbraw/zinc/28/50/12/281285012.db2.gz ZXYNMRGACFPDIR-INMHGKMJSA-N 2 1 286.419 3.035 20 0 CGADMP C[C@@H]1COCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000195118484 288360908 /nfs/dbraw/zinc/36/09/08/288360908.db2.gz ZSFQLKGJKIMMSY-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C3CCCC3)C1)CCCC2 ZINC000336139950 282020248 /nfs/dbraw/zinc/02/02/48/282020248.db2.gz IVWKGCIGHXIVCE-OAHLLOKOSA-N 2 1 273.424 3.260 20 0 CGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C3CCCC3)C1)CCCC2 ZINC000336139950 282020250 /nfs/dbraw/zinc/02/02/50/282020250.db2.gz IVWKGCIGHXIVCE-OAHLLOKOSA-N 2 1 273.424 3.260 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@H+](C)CC[C@@H]1CCC[NH+]1C)CCC2 ZINC000162986982 282028152 /nfs/dbraw/zinc/02/81/52/282028152.db2.gz NCZGVIJKZWRXSQ-ZFWWWQNUSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@@H]1CCC[NH+]1C)CCC2 ZINC000162986982 282028154 /nfs/dbraw/zinc/02/81/54/282028154.db2.gz NCZGVIJKZWRXSQ-ZFWWWQNUSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH+](C)CC[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000162986982 282028157 /nfs/dbraw/zinc/02/81/57/282028157.db2.gz NCZGVIJKZWRXSQ-ZFWWWQNUSA-N 2 1 293.480 3.245 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH+](C)CC[C@@H]1CCC[N@H+]1C)CCC2 ZINC000162986982 282028159 /nfs/dbraw/zinc/02/81/59/282028159.db2.gz NCZGVIJKZWRXSQ-ZFWWWQNUSA-N 2 1 293.480 3.245 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000548794081 289023489 /nfs/dbraw/zinc/02/34/89/289023489.db2.gz VJSSRURLAWAEOA-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000548794081 289023490 /nfs/dbraw/zinc/02/34/90/289023490.db2.gz VJSSRURLAWAEOA-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236529 289038758 /nfs/dbraw/zinc/03/87/58/289038758.db2.gz CGTCJTDFKRSWGG-LMSBXDPUSA-N 2 1 274.452 3.499 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236529 289038761 /nfs/dbraw/zinc/03/87/61/289038761.db2.gz CGTCJTDFKRSWGG-LMSBXDPUSA-N 2 1 274.452 3.499 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000551006298 289095221 /nfs/dbraw/zinc/09/52/21/289095221.db2.gz OXKLQEOCWZXFJK-JKSUJKDBSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000551006298 289095224 /nfs/dbraw/zinc/09/52/24/289095224.db2.gz OXKLQEOCWZXFJK-JKSUJKDBSA-N 2 1 260.425 3.458 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000551532912 289120587 /nfs/dbraw/zinc/12/05/87/289120587.db2.gz IOMHYEWWVZAPDH-MRXNPFEDSA-N 2 1 297.531 3.064 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000551532911 289120658 /nfs/dbraw/zinc/12/06/58/289120658.db2.gz IOMHYEWWVZAPDH-INIZCTEOSA-N 2 1 297.531 3.064 20 0 CGADMP CCC1CC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000551535572 289121020 /nfs/dbraw/zinc/12/10/20/289121020.db2.gz ZTEJFYJAURTLSR-SLTXQBBLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C(C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000551556861 289121603 /nfs/dbraw/zinc/12/16/03/289121603.db2.gz ZAYVGYKPYMGAFQ-BPQIPLTHSA-N 2 1 296.499 3.098 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000552049537 289155008 /nfs/dbraw/zinc/15/50/08/289155008.db2.gz YAZOBWCLBIPUHJ-GUDVDZBRSA-N 2 1 286.463 3.254 20 0 CGADMP C[C@@]1(C[NH+]2CCC(c3c(F)cccc3F)CC2)CC[NH2+]C1 ZINC000261921290 289163746 /nfs/dbraw/zinc/16/37/46/289163746.db2.gz BQTPFPRFOHCPPM-QGZVFWFLSA-N 2 1 294.389 3.144 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccnc4ccccc34)C2)C1 ZINC000552357890 289183167 /nfs/dbraw/zinc/18/31/67/289183167.db2.gz XEOPZWOZNIVUIE-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccnc4ccccc34)C2)C1 ZINC000552357890 289183169 /nfs/dbraw/zinc/18/31/69/289183169.db2.gz XEOPZWOZNIVUIE-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccnc4ccccc34)C2)C1 ZINC000552357890 289183171 /nfs/dbraw/zinc/18/31/71/289183171.db2.gz XEOPZWOZNIVUIE-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000554385499 289280225 /nfs/dbraw/zinc/28/02/25/289280225.db2.gz ALRKSSLAOFNRDG-HWMZRRJGSA-N 2 1 264.457 3.418 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C12CCCC2 ZINC000554992155 289322671 /nfs/dbraw/zinc/32/26/71/289322671.db2.gz XZMOOAGGWHQPOR-XHSDSOJGSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000554992155 289322672 /nfs/dbraw/zinc/32/26/72/289322672.db2.gz XZMOOAGGWHQPOR-XHSDSOJGSA-N 2 1 282.472 3.043 20 0 CGADMP COc1cccc2c1CCC[C@H]2[NH2+]CCCn1cc[nH+]c1C ZINC000558698199 289513940 /nfs/dbraw/zinc/51/39/40/289513940.db2.gz YKZILGKSVGZJCP-QGZVFWFLSA-N 2 1 299.418 3.257 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCSCC1 ZINC000423258574 290035544 /nfs/dbraw/zinc/03/55/44/290035544.db2.gz BYMFFUZZDYAJMC-SWLSCSKDSA-N 2 1 270.486 3.015 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3ccsc32)C1 ZINC000192150133 290182232 /nfs/dbraw/zinc/18/22/32/290182232.db2.gz KDIZCHXJSLGPDB-TZMCWYRMSA-N 2 1 287.432 3.217 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3ccsc32)C1 ZINC000192150133 290182234 /nfs/dbraw/zinc/18/22/34/290182234.db2.gz KDIZCHXJSLGPDB-TZMCWYRMSA-N 2 1 287.432 3.217 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261594340 290228891 /nfs/dbraw/zinc/22/88/91/290228891.db2.gz NMFHKSIEOGHVNM-CKRXIKOQSA-N 2 1 282.790 3.209 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261594340 290228898 /nfs/dbraw/zinc/22/88/98/290228898.db2.gz NMFHKSIEOGHVNM-CKRXIKOQSA-N 2 1 282.790 3.209 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169641 290238311 /nfs/dbraw/zinc/23/83/11/290238311.db2.gz BTRKZSXMTTZJCN-CHWSQXEVSA-N 2 1 298.377 3.410 20 0 CGADMP C[C@H]1CC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)C1 ZINC000358036240 290353530 /nfs/dbraw/zinc/35/35/30/290353530.db2.gz KXUNIBYQJHATGF-VQHPVUNQSA-N 2 1 296.499 3.290 20 0 CGADMP [NH3+]CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423193051 295234885 /nfs/dbraw/zinc/23/48/85/295234885.db2.gz WJACIKORWKYKQQ-KGLIPLIRSA-N 2 1 286.341 3.280 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359207021 295248977 /nfs/dbraw/zinc/24/89/77/295248977.db2.gz IIGLAVZXSVSIQL-GOSISDBHSA-N 2 1 288.435 3.222 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420327270 302150276 /nfs/dbraw/zinc/15/02/76/302150276.db2.gz YBENZHGSOYOTDY-WBVHZDCISA-N 2 1 258.409 3.132 20 0 CGADMP FC(F)(F)[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC12CCC2 ZINC000420373199 303118058 /nfs/dbraw/zinc/11/80/58/303118058.db2.gz MENFZGGMPWTSPZ-STQMWFEESA-N 2 1 290.373 3.041 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C)c1 ZINC000401725073 321969461 /nfs/dbraw/zinc/96/94/61/321969461.db2.gz LCTASZTZRDGKOY-MRXNPFEDSA-N 2 1 257.381 3.012 20 0 CGADMP CCCc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000563778764 322009726 /nfs/dbraw/zinc/00/97/26/322009726.db2.gz XRNZSQLTPWMSSO-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000563778764 322009727 /nfs/dbraw/zinc/00/97/27/322009727.db2.gz XRNZSQLTPWMSSO-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000563778764 322009728 /nfs/dbraw/zinc/00/97/28/322009728.db2.gz XRNZSQLTPWMSSO-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000563778764 322009729 /nfs/dbraw/zinc/00/97/29/322009729.db2.gz XRNZSQLTPWMSSO-QAPCUYQASA-N 2 1 274.452 3.411 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(F)cc1F ZINC000564327313 322027925 /nfs/dbraw/zinc/02/79/25/322027925.db2.gz YOGZAKAGNHINPM-RAKGJIHJSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(F)cc1F ZINC000564327313 322027927 /nfs/dbraw/zinc/02/79/27/322027927.db2.gz YOGZAKAGNHINPM-RAKGJIHJSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000564327313 322027930 /nfs/dbraw/zinc/02/79/30/322027930.db2.gz YOGZAKAGNHINPM-RAKGJIHJSA-N 2 1 294.389 3.250 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000564327313 322027932 /nfs/dbraw/zinc/02/79/32/322027932.db2.gz YOGZAKAGNHINPM-RAKGJIHJSA-N 2 1 294.389 3.250 20 0 CGADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000565159545 322063528 /nfs/dbraw/zinc/06/35/28/322063528.db2.gz ZMKARLAUSIDKLN-CHWSQXEVSA-N 2 1 283.366 3.035 20 0 CGADMP CC[C@@H](C[NH2+]CCc1ccc(F)cc1Cl)[NH+]1CCCC1 ZINC000565925367 322097135 /nfs/dbraw/zinc/09/71/35/322097135.db2.gz YZPKSSBLFOPMCB-HNNXBMFYSA-N 2 1 298.833 3.486 20 0 CGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000565992646 322099592 /nfs/dbraw/zinc/09/95/92/322099592.db2.gz FVTFJEFAEHZVHT-GJZGRUSLSA-N 2 1 263.429 3.157 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000566412239 322120356 /nfs/dbraw/zinc/12/03/56/322120356.db2.gz STPWUJMVXCZHCT-HOCLYGCPSA-N 2 1 288.435 3.320 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ncc(C)cc2C)C[C@@H]1C ZINC000566794357 322138293 /nfs/dbraw/zinc/13/82/93/322138293.db2.gz ZXDWZBHGHRVUFF-DLBZAZTESA-N 2 1 289.467 3.046 20 0 CGADMP Cc1nsc(C)c1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000567062394 322148900 /nfs/dbraw/zinc/14/89/00/322148900.db2.gz ICUJQABERCOMPL-AWEZNQCLSA-N 2 1 281.469 3.066 20 0 CGADMP CC(C)C(C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000569752681 322256359 /nfs/dbraw/zinc/25/63/59/322256359.db2.gz BYMWDNIJPIYGOM-GJZGRUSLSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000569752681 322256361 /nfs/dbraw/zinc/25/63/61/322256361.db2.gz BYMWDNIJPIYGOM-GJZGRUSLSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000569752681 322256363 /nfs/dbraw/zinc/25/63/63/322256363.db2.gz BYMWDNIJPIYGOM-GJZGRUSLSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C(C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000569752681 322256364 /nfs/dbraw/zinc/25/63/64/322256364.db2.gz BYMWDNIJPIYGOM-GJZGRUSLSA-N 2 1 254.462 3.329 20 0 CGADMP CC(C)C[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccccn1 ZINC000568748556 322220896 /nfs/dbraw/zinc/22/08/96/322220896.db2.gz FNIIZVOPFRGZLZ-INIZCTEOSA-N 2 1 263.429 3.147 20 0 CGADMP C(C[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000570403188 322272932 /nfs/dbraw/zinc/27/29/32/322272932.db2.gz OZPYUQHGRMKGRP-IRXDYDNUSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)c1ccccc1 ZINC000571222811 322293475 /nfs/dbraw/zinc/29/34/75/322293475.db2.gz ZCVHSNNMESVIAX-HNNXBMFYSA-N 2 1 285.435 3.309 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000571413819 322298177 /nfs/dbraw/zinc/29/81/77/322298177.db2.gz OGRMATLZBKAPLM-SWLSCSKDSA-N 2 1 293.480 3.278 20 0 CGADMP CCC[C@@H](C[NH2+]CCC[NH+]1CCC1)c1ccccc1 ZINC000571894739 322311040 /nfs/dbraw/zinc/31/10/40/322311040.db2.gz MIYDFSCCMVNYFM-KRWDZBQOSA-N 2 1 260.425 3.256 20 0 CGADMP CC1=CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000571902884 322311752 /nfs/dbraw/zinc/31/17/52/322311752.db2.gz SFZJMARKXAIJQM-HZPDHXFCSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000571942673 322313008 /nfs/dbraw/zinc/31/30/08/322313008.db2.gz JNLLUZRVPILJEX-MVJTYMMSSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000573344411 322383424 /nfs/dbraw/zinc/38/34/24/322383424.db2.gz WSGVNAXZICJSCL-QDSNELGPSA-N 2 1 286.463 3.499 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000582845233 329273041 /nfs/dbraw/zinc/27/30/41/329273041.db2.gz LVOMWAWDJDFSCR-NWDGAFQWSA-N 2 1 275.421 3.026 20 0 CGADMP CC[N@@H+](CC(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486150 335156945 /nfs/dbraw/zinc/15/69/45/335156945.db2.gz RWEUBQTUZRYYCM-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP CC[NH+](CC(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486150 335156946 /nfs/dbraw/zinc/15/69/46/335156946.db2.gz RWEUBQTUZRYYCM-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP CC[NH+](CC(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486150 335156947 /nfs/dbraw/zinc/15/69/47/335156947.db2.gz RWEUBQTUZRYYCM-GOSISDBHSA-N 2 1 274.452 3.486 20 0 CGADMP COc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000423270877 533713944 /nfs/dbraw/zinc/71/39/44/533713944.db2.gz XDXVJWLDYKXHCG-DYVFJYSZSA-N 2 1 276.424 3.253 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000577260863 335331068 /nfs/dbraw/zinc/33/10/68/335331068.db2.gz QLZIALGURGFYOU-HWWDLCQESA-N 2 1 290.451 3.184 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000178708378 335446413 /nfs/dbraw/zinc/44/64/13/335446413.db2.gz GFYQOOYJZOKCSZ-UKRRQHHQSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000382282195 336085259 /nfs/dbraw/zinc/08/52/59/336085259.db2.gz GAKYMBGWMMIUTQ-BFYDXBDKSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)s1 ZINC000382583761 336094620 /nfs/dbraw/zinc/09/46/20/336094620.db2.gz PQCLFAAIHFNIIR-VIFPVBQESA-N 2 1 258.818 3.194 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000581607943 336111529 /nfs/dbraw/zinc/11/15/29/336111529.db2.gz CXBLEMIKNZSTOT-WBVHZDCISA-N 2 1 258.409 3.132 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000383737269 336117251 /nfs/dbraw/zinc/11/72/51/336117251.db2.gz GWGOYGNPCKULMU-NVXWUHKLSA-N 2 1 260.425 3.287 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000386288086 336169992 /nfs/dbraw/zinc/16/99/92/336169992.db2.gz GKSIPTAQNMUADM-BPUTZDHNSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000386288086 336169993 /nfs/dbraw/zinc/16/99/93/336169993.db2.gz GKSIPTAQNMUADM-BPUTZDHNSA-N 2 1 252.446 3.297 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC000424366728 533719050 /nfs/dbraw/zinc/71/90/50/533719050.db2.gz JIUGCIOPHINCCP-ZIAGYGMSSA-N 2 1 252.789 3.008 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437344127 533727244 /nfs/dbraw/zinc/72/72/44/533727244.db2.gz LTOUNJNLDZUOJN-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311713 533900791 /nfs/dbraw/zinc/90/07/91/533900791.db2.gz UATSRIWHPCOQSV-ZFZWDLNGSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311713 533900800 /nfs/dbraw/zinc/90/08/00/533900800.db2.gz UATSRIWHPCOQSV-ZFZWDLNGSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000423269300 533995899 /nfs/dbraw/zinc/99/58/99/533995899.db2.gz FHKFQUSIYOBMJZ-SCLBCKFNSA-N 2 1 281.403 3.137 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1Cl ZINC000423373158 534007545 /nfs/dbraw/zinc/00/75/45/534007545.db2.gz IULFWBUYCPWQKP-WOPDTQHZSA-N 2 1 252.789 3.131 20 0 CGADMP C[C@H](C[NH3+])C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423301766 534048518 /nfs/dbraw/zinc/04/85/18/534048518.db2.gz GJGBWABTTAKAON-GFCCVEGCSA-N 2 1 290.357 3.239 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(Cl)c1 ZINC000427122883 534069320 /nfs/dbraw/zinc/06/93/20/534069320.db2.gz UDOZOSUFWGYMNW-INWMFGNUSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(Cl)c1 ZINC000427122883 534069330 /nfs/dbraw/zinc/06/93/30/534069330.db2.gz UDOZOSUFWGYMNW-INWMFGNUSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[N@@H+]1C ZINC000449170378 534111897 /nfs/dbraw/zinc/11/18/97/534111897.db2.gz ILFWXZRVYBUYQD-UERKLNTKSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[N@H+]1C ZINC000449170378 534111906 /nfs/dbraw/zinc/11/19/06/534111906.db2.gz ILFWXZRVYBUYQD-UERKLNTKSA-N 2 1 294.483 3.329 20 0 CGADMP Cc1ccc(SCC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000358366161 534215275 /nfs/dbraw/zinc/21/52/75/534215275.db2.gz HPIVNOLJQNCAOD-INIZCTEOSA-N 2 1 292.492 3.469 20 0 CGADMP Cc1ccoc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358480626 534448879 /nfs/dbraw/zinc/44/88/79/534448879.db2.gz GMYSORYUDBWKJA-CABCVRRESA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccoc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358480626 534448882 /nfs/dbraw/zinc/44/88/82/534448882.db2.gz GMYSORYUDBWKJA-CABCVRRESA-N 2 1 276.424 3.331 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2ccccc2)CC1 ZINC000157408155 521561233 /nfs/dbraw/zinc/56/12/33/521561233.db2.gz XRAMSLZWUSRTGC-UHFFFAOYSA-N 2 1 260.425 3.035 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccccc2)CC1 ZINC000157408155 521561237 /nfs/dbraw/zinc/56/12/37/521561237.db2.gz XRAMSLZWUSRTGC-UHFFFAOYSA-N 2 1 260.425 3.035 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000430669913 534596744 /nfs/dbraw/zinc/59/67/44/534596744.db2.gz UWRAEAMFKMZHMU-UHFFFAOYSA-N 2 1 293.480 3.362 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712517 522949203 /nfs/dbraw/zinc/94/92/03/522949203.db2.gz GGLIUTLUCSLARH-UKPHBRMFSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712517 522949216 /nfs/dbraw/zinc/94/92/16/522949216.db2.gz GGLIUTLUCSLARH-UKPHBRMFSA-N 2 1 276.424 3.219 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CCCCC1 ZINC000423260443 534678277 /nfs/dbraw/zinc/67/82/77/534678277.db2.gz HMBVKXKHJBSJNW-IAGOWNOFSA-N 2 1 276.399 3.310 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2(C)CCC2)CC1 ZINC000433199506 534712255 /nfs/dbraw/zinc/71/22/55/534712255.db2.gz COQMTAZRPFZRQY-UHFFFAOYSA-N 2 1 274.408 3.423 20 0 CGADMP C[N@H+](Cc1csc2ccccc12)CC1CC[NH2+]CC1 ZINC000094011010 523528094 /nfs/dbraw/zinc/52/80/94/523528094.db2.gz XHVIEKBZKNOTJY-UHFFFAOYSA-N 2 1 274.433 3.333 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000157809127 524237106 /nfs/dbraw/zinc/23/71/06/524237106.db2.gz AFAVWZGDUKUUEB-CCGTUFIJSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000157809127 524237113 /nfs/dbraw/zinc/23/71/13/524237113.db2.gz AFAVWZGDUKUUEB-CCGTUFIJSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000340657090 524391657 /nfs/dbraw/zinc/39/16/57/524391657.db2.gz GTMYAXSKMRLXBN-UHFFFAOYSA-N 2 1 260.425 3.221 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157463544 525337875 /nfs/dbraw/zinc/33/78/75/525337875.db2.gz QSECTBDBJLVINB-IGNZVWTISA-N 2 1 282.387 3.491 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000163368901 527400780 /nfs/dbraw/zinc/40/07/80/527400780.db2.gz HEUDQPAEEFBWAM-UHFFFAOYSA-N 2 1 287.382 3.169 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000163368901 527400784 /nfs/dbraw/zinc/40/07/84/527400784.db2.gz HEUDQPAEEFBWAM-UHFFFAOYSA-N 2 1 287.382 3.169 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C12CCCCC2 ZINC000423494253 527844032 /nfs/dbraw/zinc/84/40/32/527844032.db2.gz AJGRZSUNPDYGKW-GVDBMIGSSA-N 2 1 294.483 3.221 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2cccs2)[C@H](C)C1 ZINC000167467027 527880166 /nfs/dbraw/zinc/88/01/66/527880166.db2.gz YSUIRTDOVGYHEF-LZWOXQAQSA-N 2 1 280.481 3.247 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449188940 527954771 /nfs/dbraw/zinc/95/47/71/527954771.db2.gz SSXGUNIJZOSMDN-SOLBZPMBSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424375189 528204494 /nfs/dbraw/zinc/20/44/94/528204494.db2.gz MORNYFMHRCFDHX-KBRIMQKVSA-N 2 1 276.424 3.394 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423261613 528310078 /nfs/dbraw/zinc/31/00/78/528310078.db2.gz KGTNWKOOMGMFCS-OLZOCXBDSA-N 2 1 284.394 3.249 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H](C)c1cccc(O)c1 ZINC000359220635 528430214 /nfs/dbraw/zinc/43/02/14/528430214.db2.gz WZIYUPHWYDNYBR-AWEZNQCLSA-N 2 1 276.424 3.165 20 0 CGADMP CCN(CCC[NH+](C)C)c1cc[nH+]c2ccsc21 ZINC000425261771 528442203 /nfs/dbraw/zinc/44/22/03/528442203.db2.gz ZIJKASGLSPIKFJ-UHFFFAOYSA-N 2 1 263.410 3.074 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000423268283 528517122 /nfs/dbraw/zinc/51/71/22/528517122.db2.gz FURGCXFYFKEOPD-SMDDNHRTSA-N 2 1 254.805 3.364 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000423272138 528519890 /nfs/dbraw/zinc/51/98/90/528519890.db2.gz YRUWTWHJDJAWFQ-BRWVUGGUSA-N 2 1 260.425 3.286 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423262986 528533932 /nfs/dbraw/zinc/53/39/32/528533932.db2.gz ADGKJWXCBCPUSK-YPMHNXCESA-N 2 1 266.454 3.261 20 0 CGADMP CCCc1csc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000424369402 528660576 /nfs/dbraw/zinc/66/05/76/528660576.db2.gz BKSBBIORXXCIEC-ZDUSSCGKSA-N 2 1 293.480 3.060 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000414115138 528670933 /nfs/dbraw/zinc/67/09/33/528670933.db2.gz MPLAAZYHCBWPCC-ILOCAZANSA-N 2 1 296.499 3.148 20 0 CGADMP CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414684119 528811137 /nfs/dbraw/zinc/81/11/37/528811137.db2.gz UVWVIZCGRXYPBU-DZGCQCFKSA-N 2 1 264.388 3.036 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423299976 528821158 /nfs/dbraw/zinc/82/11/58/528821158.db2.gz QQJPYJQEMPOUHM-AETAKHFUSA-N 2 1 290.451 3.294 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000423300353 528821449 /nfs/dbraw/zinc/82/14/49/528821449.db2.gz RJHNCNJEBRANQQ-ROUUACIJSA-N 2 1 274.452 3.423 20 0 CGADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)CCc1nccs1 ZINC000162059503 528880675 /nfs/dbraw/zinc/88/06/75/528880675.db2.gz SYLFWHJQRXMQAJ-UHFFFAOYSA-N 2 1 295.496 3.272 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000423293211 528953387 /nfs/dbraw/zinc/95/33/87/528953387.db2.gz QGXBXPDISMJUGK-CQSZACIVSA-N 2 1 286.423 3.040 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000423286513 528953505 /nfs/dbraw/zinc/95/35/05/528953505.db2.gz HSGCKIPGSFITKX-LLVKDONJSA-N 2 1 286.366 3.456 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423301500 528957359 /nfs/dbraw/zinc/95/73/59/528957359.db2.gz TZVIUHJJHBCUIC-DGCLKSJQSA-N 2 1 266.454 3.405 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423304549 528958121 /nfs/dbraw/zinc/95/81/21/528958121.db2.gz YYPXIXIQVPPTNZ-BHYGNILZSA-N 2 1 275.440 3.215 20 0 CGADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436304442 528971168 /nfs/dbraw/zinc/97/11/68/528971168.db2.gz DTUUSBZQIMLZKW-HOCLYGCPSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423264328 529068780 /nfs/dbraw/zinc/06/87/80/529068780.db2.gz PXMVGEYCYRAHLS-SUMWQHHRSA-N 2 1 256.393 3.474 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423269014 529070090 /nfs/dbraw/zinc/07/00/90/529070090.db2.gz GTTOQXZMFKRPHB-ZIAGYGMSSA-N 2 1 297.240 3.009 20 0 CGADMP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423344357 529180307 /nfs/dbraw/zinc/18/03/07/529180307.db2.gz XXEWPOXCIZXDEO-HZPDHXFCSA-N 2 1 282.378 3.395 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC(F)F)cc1 ZINC000423282071 529201765 /nfs/dbraw/zinc/20/17/65/529201765.db2.gz UTTYDGZJKCOIIO-KGLIPLIRSA-N 2 1 284.350 3.066 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(Cl)c1 ZINC000423279350 529206453 /nfs/dbraw/zinc/20/64/53/529206453.db2.gz RLLPYMDQJOYDAB-ZIAGYGMSSA-N 2 1 252.789 3.118 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423439754 529257709 /nfs/dbraw/zinc/25/77/09/529257709.db2.gz IBNLCRQIURZLMT-WOPDTQHZSA-N 2 1 252.427 3.185 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423268946 529257952 /nfs/dbraw/zinc/25/79/52/529257952.db2.gz FGTYQQJXPCKASK-BXUZGUMPSA-N 2 1 264.438 3.187 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000128464283 535037751 /nfs/dbraw/zinc/03/77/51/535037751.db2.gz SIXZVGAMXCUNBC-KRWDZBQOSA-N 2 1 278.440 3.279 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000088578582 535214984 /nfs/dbraw/zinc/21/49/84/535214984.db2.gz IVONVEHNVNRDCJ-UHFFFAOYSA-N 2 1 295.496 3.395 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000453108973 535703897 /nfs/dbraw/zinc/70/38/97/535703897.db2.gz MAIKXAHCADUHDA-CVEARBPZSA-N 2 1 284.488 3.028 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000125169922 535704826 /nfs/dbraw/zinc/70/48/26/535704826.db2.gz PTMLBGAQXWWROJ-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP CCS[C@@H]1CCCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125169922 535704836 /nfs/dbraw/zinc/70/48/36/535704836.db2.gz PTMLBGAQXWWROJ-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP CCS[C@@H]1CCCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125169922 535704843 /nfs/dbraw/zinc/70/48/43/535704843.db2.gz PTMLBGAQXWWROJ-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422909091 535726088 /nfs/dbraw/zinc/72/60/88/535726088.db2.gz ZVRCCQMQIJFQRK-HNAYVOBHSA-N 2 1 298.430 3.133 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251339350 535947555 /nfs/dbraw/zinc/94/75/55/535947555.db2.gz ZGNRTDCJRGHIDR-ULQDDVLXSA-N 2 1 258.409 3.354 20 0 CGADMP CN1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000237167476 536344026 /nfs/dbraw/zinc/34/40/26/536344026.db2.gz XYQGOTLKVDXLTB-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000459736670 536383923 /nfs/dbraw/zinc/38/39/23/536383923.db2.gz QJURICNBAZMJPO-CYBMUJFWSA-N 2 1 298.377 3.110 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2coc3ccccc23)C1 ZINC000459734929 536384416 /nfs/dbraw/zinc/38/44/16/536384416.db2.gz OYMGSMQNMXGFHK-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000513237267 536390611 /nfs/dbraw/zinc/39/06/11/536390611.db2.gz XBYWZHSMHLOIAJ-OKZBNKHCSA-N 2 1 272.436 3.397 20 0 CGADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191169687 536797175 /nfs/dbraw/zinc/79/71/75/536797175.db2.gz RYKFJAXNSBNHFR-LLVKDONJSA-N 2 1 290.860 3.020 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191169687 536797184 /nfs/dbraw/zinc/79/71/84/536797184.db2.gz RYKFJAXNSBNHFR-LLVKDONJSA-N 2 1 290.860 3.020 20 0 CGADMP COc1cccc2c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc(C)[nH+]c12 ZINC000482010322 536934642 /nfs/dbraw/zinc/93/46/42/536934642.db2.gz WUBUAOLZCNQJKO-ZIAGYGMSSA-N 2 1 299.418 3.446 20 0 CGADMP COc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc(C)[nH+]c12 ZINC000482010322 536934645 /nfs/dbraw/zinc/93/46/45/536934645.db2.gz WUBUAOLZCNQJKO-ZIAGYGMSSA-N 2 1 299.418 3.446 20 0 CGADMP C[NH+](C)CCCCCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000727469387 571749620 /nfs/dbraw/zinc/74/96/20/571749620.db2.gz XPTRCQCZRJHTLF-UHFFFAOYSA-N 2 1 288.439 3.165 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000729682767 571929360 /nfs/dbraw/zinc/92/93/60/571929360.db2.gz IPYULBODZIFGGI-INIZCTEOSA-N 2 1 297.446 3.445 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCSc1ccc(F)cc1 ZINC000070150168 572351625 /nfs/dbraw/zinc/35/16/25/572351625.db2.gz OHSTVPINNGKYAP-AWEZNQCLSA-N 2 1 282.428 3.121 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C/C=C\Cl)CC1 ZINC000255058276 617889156 /nfs/dbraw/zinc/88/91/56/617889156.db2.gz NZZZMHFKILMQQO-YVMONPNESA-N 2 1 258.837 3.183 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2cccs2)C2CC2)CC[NH2+]1 ZINC000261571412 618088175 /nfs/dbraw/zinc/08/81/75/618088175.db2.gz LARVZZGTHBCSTO-CHWSQXEVSA-N 2 1 264.438 3.101 20 0 CGADMP C[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000261940869 618221229 /nfs/dbraw/zinc/22/12/29/618221229.db2.gz DRNUFHXIXBSIMQ-CQSZACIVSA-N 2 1 276.399 3.005 20 0 CGADMP CCC[N@H+](Cc1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000891655055 618244100 /nfs/dbraw/zinc/24/41/00/618244100.db2.gz ZBKBYELQQDWLPO-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000892046501 618501786 /nfs/dbraw/zinc/50/17/86/618501786.db2.gz RQQCEARVUVQCFR-KRWDZBQOSA-N 2 1 294.389 3.444 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CCCOC)CCC2)C[C@@H]1C ZINC000892105275 618534714 /nfs/dbraw/zinc/53/47/14/618534714.db2.gz YVRJMSARSDFBMP-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CCCOC)CCC2)C[C@@H]1C ZINC000892105275 618534725 /nfs/dbraw/zinc/53/47/25/618534725.db2.gz YVRJMSARSDFBMP-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CCCOC)CCC2)C[C@@H]1C ZINC000892105275 618534729 /nfs/dbraw/zinc/53/47/29/618534729.db2.gz YVRJMSARSDFBMP-DLBZAZTESA-N 2 1 296.499 3.388 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050600891 618675598 /nfs/dbraw/zinc/67/55/98/618675598.db2.gz FAQZKTPAEGEAAV-KRWDZBQOSA-N 2 1 260.425 3.385 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091844484 618737240 /nfs/dbraw/zinc/73/72/40/618737240.db2.gz CDSFHEQKIQHINF-UHFFFAOYSA-N 2 1 276.424 3.176 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000924572552 618855508 /nfs/dbraw/zinc/85/55/08/618855508.db2.gz RSSXJBKOCICXNO-NJAFHUGGSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc(C)cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000893070321 618988472 /nfs/dbraw/zinc/98/84/72/618988472.db2.gz GNACQESFGDYOKN-UXDRXVOSSA-N 2 1 286.463 3.449 20 0 CGADMP c1ccc(SC2(C[NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925566185 619065189 /nfs/dbraw/zinc/06/51/89/619065189.db2.gz FRMKMAOYNJISTF-OAHLLOKOSA-N 2 1 288.460 3.186 20 0 CGADMP CCc1ccc([C@H](COC)[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)o1 ZINC000925623497 619094191 /nfs/dbraw/zinc/09/41/91/619094191.db2.gz SBLPCUFHPAQSRT-YDHLFZDLSA-N 2 1 294.439 3.025 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000925657898 619113124 /nfs/dbraw/zinc/11/31/24/619113124.db2.gz UVPOATAJUDAZSH-SGMGOOAPSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000925678694 619127987 /nfs/dbraw/zinc/12/79/87/619127987.db2.gz WKBBEKCNKQRPHA-FCLVOEFKSA-N 2 1 280.415 3.468 20 0 CGADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000925682866 619131233 /nfs/dbraw/zinc/13/12/33/619131233.db2.gz GXJZEQXQOPONRF-LMSBXDPUSA-N 2 1 290.451 3.116 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000925756910 619220399 /nfs/dbraw/zinc/22/03/99/619220399.db2.gz BTVHBBXWOLOLTD-HNNXBMFYSA-N 2 1 290.455 3.234 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000925756956 619220517 /nfs/dbraw/zinc/22/05/17/619220517.db2.gz CJULUVCVDVMEJG-OAHLLOKOSA-N 2 1 298.434 3.137 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261930338 619225811 /nfs/dbraw/zinc/22/58/11/619225811.db2.gz JMURKNBBXRXSAU-HOCLYGCPSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000925802297 619255114 /nfs/dbraw/zinc/25/51/14/619255114.db2.gz LESDKSPOIICFGQ-VDNDLQMASA-N 2 1 258.409 3.101 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC[NH2+]1 ZINC000261565944 619289391 /nfs/dbraw/zinc/28/93/91/619289391.db2.gz GFOJVZXLCBTMON-IJLUTSLNSA-N 2 1 278.362 3.037 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000236939143 619306840 /nfs/dbraw/zinc/30/68/40/619306840.db2.gz YTYBDJKHNTUXHW-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000236939143 619306841 /nfs/dbraw/zinc/30/68/41/619306841.db2.gz YTYBDJKHNTUXHW-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(C)c1 ZINC000893855126 619323040 /nfs/dbraw/zinc/32/30/40/619323040.db2.gz DOJCLAUOGAQPOS-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP CC(C)CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894418037 619528205 /nfs/dbraw/zinc/52/82/05/619528205.db2.gz YVOZSRWWEFYWJI-XYPWUTKMSA-N 2 1 252.446 3.370 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000894773688 619627585 /nfs/dbraw/zinc/62/75/85/619627585.db2.gz WESREAJHGIQONC-KRWDZBQOSA-N 2 1 294.389 3.444 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC000894777082 619630289 /nfs/dbraw/zinc/63/02/89/619630289.db2.gz LZAOQSLSMUIFKY-DAXSKMNVSA-N 2 1 287.382 3.366 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C\c1cccc(F)c1 ZINC000894777082 619630293 /nfs/dbraw/zinc/63/02/93/619630293.db2.gz LZAOQSLSMUIFKY-DAXSKMNVSA-N 2 1 287.382 3.366 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C\c2cccc(F)c2)C1 ZINC000894781668 619633514 /nfs/dbraw/zinc/63/35/14/619633514.db2.gz HBPXYHYGOOVMDR-CDITXYPMSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C\c2cccc(F)c2)C1 ZINC000894781668 619633518 /nfs/dbraw/zinc/63/35/18/619633518.db2.gz HBPXYHYGOOVMDR-CDITXYPMSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C\c2cccc(F)c2)C1 ZINC000894781668 619633523 /nfs/dbraw/zinc/63/35/23/619633523.db2.gz HBPXYHYGOOVMDR-CDITXYPMSA-N 2 1 288.410 3.255 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cscc1C(F)(F)F)[NH+](C)C ZINC000895293081 619797185 /nfs/dbraw/zinc/79/71/85/619797185.db2.gz JJRJPRBTGVBAGP-VIFPVBQESA-N 2 1 280.359 3.197 20 0 CGADMP CC(C)n1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895379370 619816507 /nfs/dbraw/zinc/81/65/07/619816507.db2.gz VCWLUUQKPMWVNV-WBVHZDCISA-N 2 1 292.471 3.016 20 0 CGADMP CC(C)n1cc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895379370 619816510 /nfs/dbraw/zinc/81/65/10/619816510.db2.gz VCWLUUQKPMWVNV-WBVHZDCISA-N 2 1 292.471 3.016 20 0 CGADMP CC1([NH+]2CCCC2)CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000895528089 619842111 /nfs/dbraw/zinc/84/21/11/619842111.db2.gz ITMRMKLUQROAQW-UHFFFAOYSA-N 2 1 299.422 3.167 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896724640 620050162 /nfs/dbraw/zinc/05/01/62/620050162.db2.gz WMAHHKODTTYEQK-NVXWUHKLSA-N 2 1 277.456 3.346 20 0 CGADMP Cc1cc([NH+]2CCCC2)ccc1NCC1CC[NH+](C)CC1 ZINC000054241071 620085098 /nfs/dbraw/zinc/08/50/98/620085098.db2.gz ZVFSTQZTBAAEJW-UHFFFAOYSA-N 2 1 287.451 3.349 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000079342771 620382847 /nfs/dbraw/zinc/38/28/47/620382847.db2.gz LSXADDZHVBJTMC-JKSUJKDBSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000079342775 620382915 /nfs/dbraw/zinc/38/29/15/620382915.db2.gz LSXADDZHVBJTMC-HOTGVXAUSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000924665516 620558480 /nfs/dbraw/zinc/55/84/80/620558480.db2.gz MCJYVRYLMZCPQD-UHFFFAOYSA-N 2 1 266.454 3.348 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924689496 620563497 /nfs/dbraw/zinc/56/34/97/620563497.db2.gz YLWCECWSROUMGO-SJORKVTESA-N 2 1 289.467 3.114 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cncs1 ZINC000902453048 621332206 /nfs/dbraw/zinc/33/22/06/621332206.db2.gz BULARNLUZOERDL-AEGPPILISA-N 2 1 287.432 3.287 20 0 CGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000902882547 621482620 /nfs/dbraw/zinc/48/26/20/621482620.db2.gz UFQUKCIAJAHPIQ-KZNAEPCWSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccc1F ZINC000903057502 621547000 /nfs/dbraw/zinc/54/70/00/621547000.db2.gz CQQNARLRPNLVFW-ZXFUBFMLSA-N 2 1 288.410 3.382 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000903060090 621548966 /nfs/dbraw/zinc/54/89/66/621548966.db2.gz QPVRCCDUASEUSD-OEUWWYETSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H](CC[NH2+][C@H](c1ccccn1)C1CC1)[NH+]1CCCCC1 ZINC000903147679 621610076 /nfs/dbraw/zinc/61/00/76/621610076.db2.gz MGCLJVRKSJMHCT-QAPCUYQASA-N 2 1 287.451 3.387 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903166277 621610114 /nfs/dbraw/zinc/61/01/14/621610114.db2.gz AVOFWAVCGZCSFD-VGWXVEKNSA-N 2 1 262.441 3.170 20 0 CGADMP Cn1c[nH+]c2cc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)ccc21 ZINC000903147736 621610198 /nfs/dbraw/zinc/61/01/98/621610198.db2.gz SELKQWNJBUSVEB-VHRNVKJDSA-N 2 1 296.418 3.143 20 0 CGADMP Cn1c[nH+]c2cc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)ccc21 ZINC000903147736 621610201 /nfs/dbraw/zinc/61/02/01/621610201.db2.gz SELKQWNJBUSVEB-VHRNVKJDSA-N 2 1 296.418 3.143 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147715 621610682 /nfs/dbraw/zinc/61/06/82/621610682.db2.gz MULQKCVOURPMFD-CRCOGDFISA-N 2 1 276.468 3.418 20 0 CGADMP c1ccc(C2(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000903170529 621619595 /nfs/dbraw/zinc/61/95/95/621619595.db2.gz KGKKGJQCOMQZNQ-QZTJIDSGSA-N 2 1 284.447 3.325 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)[C@H]2CCC[C@@H]21 ZINC000903280598 621660154 /nfs/dbraw/zinc/66/01/54/621660154.db2.gz WALJWDRRXJLUCL-WCVJEAGWSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903384398 621726167 /nfs/dbraw/zinc/72/61/67/621726167.db2.gz RNHQENXMVVTAEP-WMLDXEAASA-N 2 1 275.440 3.243 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439343 621747822 /nfs/dbraw/zinc/74/78/22/621747822.db2.gz GRZBDYMSVUEXIC-BGTYHANMSA-N 2 1 272.436 3.067 20 0 CGADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903421577 621749990 /nfs/dbraw/zinc/74/99/90/621749990.db2.gz VUHYTTGRTNWDDP-CRAIPNDOSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440727 621750619 /nfs/dbraw/zinc/75/06/19/621750619.db2.gz APMCAEQWCPJAPU-XQQFMLRXSA-N 2 1 289.448 3.417 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000903455993 621762664 /nfs/dbraw/zinc/76/26/64/621762664.db2.gz AZVUYFBEBBONDM-DYEKYZERSA-N 2 1 293.480 3.142 20 0 CGADMP CCSc1ccccc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000903455536 621762775 /nfs/dbraw/zinc/76/27/75/621762775.db2.gz ZCLGPQSABSZHTG-HNNXBMFYSA-N 2 1 278.465 3.276 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc2[nH]1 ZINC000903481503 621765144 /nfs/dbraw/zinc/76/51/44/621765144.db2.gz DVNOJYDWPIZXLQ-GOSISDBHSA-N 2 1 283.419 3.134 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1CC[NH3+] ZINC000903499795 621766876 /nfs/dbraw/zinc/76/68/76/621766876.db2.gz OKUBDYLPLKNFQW-MRRJBJDNSA-N 2 1 276.399 3.120 20 0 CGADMP c1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]C2)cs1 ZINC000903724892 621796788 /nfs/dbraw/zinc/79/67/88/621796788.db2.gz RZODRGPPKINFMF-UKRRQHHQSA-N 2 1 264.438 3.275 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903728651 621797106 /nfs/dbraw/zinc/79/71/06/621797106.db2.gz DCIFJUQHOLVVFS-RDJZCZTQSA-N 2 1 288.435 3.222 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC000903840388 621819458 /nfs/dbraw/zinc/81/94/58/621819458.db2.gz QGSXRJPFLIULAY-QEJZJMRPSA-N 2 1 299.443 3.122 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC000903840388 621819460 /nfs/dbraw/zinc/81/94/60/621819460.db2.gz QGSXRJPFLIULAY-QEJZJMRPSA-N 2 1 299.443 3.122 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000903842916 621820068 /nfs/dbraw/zinc/82/00/68/621820068.db2.gz XQADIGXRURAEOG-CGHHPOIWSA-N 2 1 284.447 3.382 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903890024 621823086 /nfs/dbraw/zinc/82/30/86/621823086.db2.gz YEUNEOWCCXPWJY-KCBNDJSGSA-N 2 1 284.447 3.315 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903872559 621824592 /nfs/dbraw/zinc/82/45/92/621824592.db2.gz HFPOGGJJOJUJAQ-CYBMUJFWSA-N 2 1 270.367 3.270 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903897505 621829047 /nfs/dbraw/zinc/82/90/47/621829047.db2.gz FEFDUZBCKCEKTJ-WFDRTZIDSA-N 2 1 282.497 3.123 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903899926 621829875 /nfs/dbraw/zinc/82/98/75/621829875.db2.gz YURONOCZNFUUEU-DZGCQCFKSA-N 2 1 282.378 3.423 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903899926 621829876 /nfs/dbraw/zinc/82/98/76/621829876.db2.gz YURONOCZNFUUEU-DZGCQCFKSA-N 2 1 282.378 3.423 20 0 CGADMP FC(F)(F)CC[N@@H+](CC1CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903899957 621830204 /nfs/dbraw/zinc/83/02/04/621830204.db2.gz WYAVQVGPPUNOCO-AGUYFDCRSA-N 2 1 290.373 3.181 20 0 CGADMP CC(C)([NH2+]C[C@H]([NH3+])CC(F)F)c1cccc(Cl)c1 ZINC000903903520 621831295 /nfs/dbraw/zinc/83/12/95/621831295.db2.gz UXZJZTLMYUMKHF-LLVKDONJSA-N 2 1 276.758 3.147 20 0 CGADMP Cc1ccc(F)c(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903909313 621832126 /nfs/dbraw/zinc/83/21/26/621832126.db2.gz DVLRBHDFYCKTMM-VHRNVKJDSA-N 2 1 276.399 3.097 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000903932402 621834873 /nfs/dbraw/zinc/83/48/73/621834873.db2.gz QTECOGFGLQJZAY-CVGRLMLNSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1ccsc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959456 621836709 /nfs/dbraw/zinc/83/67/09/621836709.db2.gz IIIIUDBJOQOYJB-HNNXBMFYSA-N 2 1 264.438 3.022 20 0 CGADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCc2ccccc21 ZINC000904309449 621903161 /nfs/dbraw/zinc/90/31/61/621903161.db2.gz LGOHCLZCPVGDJV-UKPHBRMFSA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000904406134 621918585 /nfs/dbraw/zinc/91/85/85/621918585.db2.gz RMCDUZRLZOSYME-RDJZCZTQSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC[C@H]1C[NH3+] ZINC000904410652 621918828 /nfs/dbraw/zinc/91/88/28/621918828.db2.gz QNOACNUIPDRSDR-UWVGGRQHSA-N 2 1 292.370 3.184 20 0 CGADMP Cc1nc2ccc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cc2s1 ZINC000904409838 621918949 /nfs/dbraw/zinc/91/89/49/621918949.db2.gz JQQCXTBJERMIPZ-SMDDNHRTSA-N 2 1 289.448 3.021 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904410986 621918975 /nfs/dbraw/zinc/91/89/75/621918975.db2.gz SCMTWWAKZHHUTI-AWEZNQCLSA-N 2 1 284.403 3.019 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)ccc2c1 ZINC000904411821 621919271 /nfs/dbraw/zinc/91/92/71/621919271.db2.gz NQZCQZYIMBTQBZ-KBXCAEBGSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1C[NH3+] ZINC000904410807 621919315 /nfs/dbraw/zinc/91/93/15/621919315.db2.gz IOOUVUATRQEUGV-YJBOKZPZSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000904411686 621919558 /nfs/dbraw/zinc/91/95/58/621919558.db2.gz WBXJYXJPPKZJLW-VYDXJSESSA-N 2 1 260.425 3.097 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000904448657 621923444 /nfs/dbraw/zinc/92/34/44/621923444.db2.gz BEYDZZVJRJCBJJ-UHFFFAOYSA-N 2 1 276.380 3.135 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)C2)C1 ZINC000906589657 622251022 /nfs/dbraw/zinc/25/10/22/622251022.db2.gz LHJVZCJCBJWLFV-SQNIBIBYSA-N 2 1 288.410 3.099 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)C2)C1 ZINC000906589657 622251024 /nfs/dbraw/zinc/25/10/24/622251024.db2.gz LHJVZCJCBJWLFV-SQNIBIBYSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3C[C@@H]3c3cccc(F)c3)C2)C1 ZINC000906589657 622251025 /nfs/dbraw/zinc/25/10/25/622251025.db2.gz LHJVZCJCBJWLFV-SQNIBIBYSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3C[C@@H]3c3cccc(F)c3)C2)C1 ZINC000906589657 622251026 /nfs/dbraw/zinc/25/10/26/622251026.db2.gz LHJVZCJCBJWLFV-SQNIBIBYSA-N 2 1 288.410 3.099 20 0 CGADMP Cc1occc1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924827953 622444542 /nfs/dbraw/zinc/44/45/42/622444542.db2.gz XAMKIQXXKILAHP-UHFFFAOYSA-N 2 1 264.413 3.188 20 0 CGADMP CC[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924828318 622446297 /nfs/dbraw/zinc/44/62/97/622446297.db2.gz IIBQFWODQRPBQH-MSOLQXFVSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC000226500689 622975064 /nfs/dbraw/zinc/97/50/64/622975064.db2.gz AXNWILQCCNDEMQ-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccccc2C)C1 ZINC000174217860 623372321 /nfs/dbraw/zinc/37/23/21/623372321.db2.gz WUJSGRXPAXNIKF-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccccc2C)C1 ZINC000174217860 623372330 /nfs/dbraw/zinc/37/23/30/623372330.db2.gz WUJSGRXPAXNIKF-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000070169681 624976661 /nfs/dbraw/zinc/97/66/61/624976661.db2.gz ZVEMWTDQIVUKIM-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP CCC[C@@H](C)C[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000922627280 626022374 /nfs/dbraw/zinc/02/23/74/626022374.db2.gz HAFYCQWMFBTYOX-GDBMZVCRSA-N 2 1 263.429 3.100 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922845274 626058033 /nfs/dbraw/zinc/05/80/33/626058033.db2.gz LINYBBLRSZMECI-CQSZACIVSA-N 2 1 291.464 3.056 20 0 CGADMP CC[N@@H+](CCC[NH2+]C1CC1)[C@H](C)c1cccc(OC)c1 ZINC000923305511 626145172 /nfs/dbraw/zinc/14/51/72/626145172.db2.gz CLMXBMRTOURTBO-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP c1ccc([C@H]2CSCCC[N@@H+]2CCC[NH2+]C2CC2)cc1 ZINC000923426879 626152936 /nfs/dbraw/zinc/15/29/36/626152936.db2.gz OOKAQCTWYNSSQR-QGZVFWFLSA-N 2 1 290.476 3.309 20 0 CGADMP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)sc1C(C)(C)C ZINC000923490078 626157951 /nfs/dbraw/zinc/15/79/51/626157951.db2.gz AWBKPSYUOLIEJX-AAEUAGOBSA-N 2 1 295.496 3.166 20 0 CGADMP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923502647 626158471 /nfs/dbraw/zinc/15/84/71/626158471.db2.gz YADXLGMRHIEVHR-LSDHHAIUSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)CC[C@H]1C[NH3+] ZINC000923501362 626159719 /nfs/dbraw/zinc/15/97/19/626159719.db2.gz QWDPIVYPHYFVKC-JSGCOSHPSA-N 2 1 293.480 3.217 20 0 CGADMP c1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166082187 626171513 /nfs/dbraw/zinc/17/15/13/626171513.db2.gz QHOIXJVKBYENEN-QZTJIDSGSA-N 2 1 284.447 3.325 20 0 CGADMP C[N@@H+](C/C=C\Cl)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000754350811 626568626 /nfs/dbraw/zinc/56/86/26/626568626.db2.gz GDXVWMOQMVTLSQ-ZBKVEWDNSA-N 2 1 277.239 3.278 20 0 CGADMP CN(C/C=C\Cl)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000754350811 626568627 /nfs/dbraw/zinc/56/86/27/626568627.db2.gz GDXVWMOQMVTLSQ-ZBKVEWDNSA-N 2 1 277.239 3.278 20 0 CGADMP CN(C/C=C\Cl)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000754350811 626568630 /nfs/dbraw/zinc/56/86/30/626568630.db2.gz GDXVWMOQMVTLSQ-ZBKVEWDNSA-N 2 1 277.239 3.278 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000762650221 627119157 /nfs/dbraw/zinc/11/91/57/627119157.db2.gz QAMOGISHJNZONU-SJORKVTESA-N 2 1 284.488 3.436 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762650221 627119159 /nfs/dbraw/zinc/11/91/59/627119159.db2.gz QAMOGISHJNZONU-SJORKVTESA-N 2 1 284.488 3.436 20 0 CGADMP CCCCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000762649577 627119169 /nfs/dbraw/zinc/11/91/69/627119169.db2.gz OCNVACHSELIPQP-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762649577 627119171 /nfs/dbraw/zinc/11/91/71/627119171.db2.gz OCNVACHSELIPQP-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccnc(Cl)c1 ZINC000765141521 627241665 /nfs/dbraw/zinc/24/16/65/627241665.db2.gz KYEIHKBPCLCKHW-GFCCVEGCSA-N 2 1 293.842 3.260 20 0 CGADMP CC(C)O[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000765805197 627272105 /nfs/dbraw/zinc/27/21/05/627272105.db2.gz UXCSCSPWOXLQHO-QHEDDYRISA-N 2 1 294.483 3.183 20 0 CGADMP CC(C)O[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000765805197 627272110 /nfs/dbraw/zinc/27/21/10/627272110.db2.gz UXCSCSPWOXLQHO-QHEDDYRISA-N 2 1 294.483 3.183 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765974433 627282806 /nfs/dbraw/zinc/28/28/06/627282806.db2.gz HJTDXMQCMWUMEX-JQHSSLGASA-N 2 1 296.499 3.434 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)o1 ZINC000767361509 627401767 /nfs/dbraw/zinc/40/17/67/627401767.db2.gz OBCPWLUSKGDHNZ-KBPBESRZSA-N 2 1 278.440 3.354 20 0 CGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000768925380 627509013 /nfs/dbraw/zinc/50/90/13/627509013.db2.gz BRFKDEZHKMQXKY-UHFFFAOYSA-N 2 1 291.439 3.104 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000768925380 627509015 /nfs/dbraw/zinc/50/90/15/627509015.db2.gz BRFKDEZHKMQXKY-UHFFFAOYSA-N 2 1 291.439 3.104 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(F)(F)F)cc1 ZINC000769105130 627522435 /nfs/dbraw/zinc/52/24/35/627522435.db2.gz MSHUECKTUZYQKM-UHFFFAOYSA-N 2 1 274.330 3.132 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cncc3ccccc32)CC[N@@H+]1C ZINC000769484052 627559550 /nfs/dbraw/zinc/55/95/50/627559550.db2.gz BTUAIKZIGLYKRH-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cncc3ccccc32)CC[N@H+]1C ZINC000769484052 627559552 /nfs/dbraw/zinc/55/95/52/627559552.db2.gz BTUAIKZIGLYKRH-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cncc3ccccc32)CC[NH+]1C ZINC000769484052 627559554 /nfs/dbraw/zinc/55/95/54/627559554.db2.gz BTUAIKZIGLYKRH-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cncc3ccccc32)CC[NH+]1C ZINC000769484052 627559555 /nfs/dbraw/zinc/55/95/55/627559555.db2.gz BTUAIKZIGLYKRH-YOEHRIQHSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccccc2[nH]1 ZINC000775621515 628115223 /nfs/dbraw/zinc/11/52/23/628115223.db2.gz KWFFAFYGRNPBFD-XCRHUMRWSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccccc2[nH]1 ZINC000775621515 628115225 /nfs/dbraw/zinc/11/52/25/628115225.db2.gz KWFFAFYGRNPBFD-XCRHUMRWSA-N 2 1 283.419 3.445 20 0 CGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000779054857 628385612 /nfs/dbraw/zinc/38/56/12/628385612.db2.gz YDITXKWGXDYVQL-HNNXBMFYSA-N 2 1 292.471 3.415 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000779460500 628414627 /nfs/dbraw/zinc/41/46/27/628414627.db2.gz QIRHGHJAUOVFBG-RDJZCZTQSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)Cc2ccccc21 ZINC000779460500 628414628 /nfs/dbraw/zinc/41/46/28/628414628.db2.gz QIRHGHJAUOVFBG-RDJZCZTQSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)Cc2ccccc21 ZINC000779460500 628414630 /nfs/dbraw/zinc/41/46/30/628414630.db2.gz QIRHGHJAUOVFBG-RDJZCZTQSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@H](C1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000782180995 628620358 /nfs/dbraw/zinc/62/03/58/628620358.db2.gz NSWPFBZXQZHXLZ-OAGGEKHMSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cncc2ccccc21 ZINC000784207319 628794927 /nfs/dbraw/zinc/79/49/27/628794927.db2.gz ZAGPYROFGYXZLI-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncc2ccccc21 ZINC000784207319 628794934 /nfs/dbraw/zinc/79/49/34/628794934.db2.gz ZAGPYROFGYXZLI-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000793527172 629475647 /nfs/dbraw/zinc/47/56/47/629475647.db2.gz UDUNBGTWDWGLRZ-HZPDHXFCSA-N 2 1 292.471 3.034 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863541920 629601657 /nfs/dbraw/zinc/60/16/57/629601657.db2.gz MWOOHJVXFARAQE-OAHLLOKOSA-N 2 1 252.446 3.278 20 0 CGADMP CC[N@H+]1[C@H](C)CN(c2cc[nH+]cc2C(F)(F)F)C[C@@H]1C ZINC000864092757 629769612 /nfs/dbraw/zinc/76/96/12/629769612.db2.gz WPNICDNIYITWKC-PHIMTYICSA-N 2 1 287.329 3.019 20 0 CGADMP CC[N@@H+]1[C@H](C)CN(c2cc[nH+]cc2C(F)(F)F)C[C@@H]1C ZINC000864092757 629769622 /nfs/dbraw/zinc/76/96/22/629769622.db2.gz WPNICDNIYITWKC-PHIMTYICSA-N 2 1 287.329 3.019 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(C)(C)C ZINC000796770493 629830076 /nfs/dbraw/zinc/83/00/76/629830076.db2.gz DFVQFMNWXYHHEF-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000865437325 630123644 /nfs/dbraw/zinc/12/36/44/630123644.db2.gz HOGPQNXMBDSOTB-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000865437325 630123649 /nfs/dbraw/zinc/12/36/49/630123649.db2.gz HOGPQNXMBDSOTB-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CCC(CC)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956738 630128522 /nfs/dbraw/zinc/12/85/22/630128522.db2.gz LYFAGZPGLDFLMF-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1nc(C(C)(C)C)cs1)C1CC1 ZINC000865595170 630208128 /nfs/dbraw/zinc/20/81/28/630208128.db2.gz CYRAWJJVDFDPLO-UHFFFAOYSA-N 2 1 295.496 3.405 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806133049 630546283 /nfs/dbraw/zinc/54/62/83/630546283.db2.gz FTCDDFGEAQGIPB-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806133049 630546287 /nfs/dbraw/zinc/54/62/87/630546287.db2.gz FTCDDFGEAQGIPB-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP CCCCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)C ZINC000808679854 630663694 /nfs/dbraw/zinc/66/36/94/630663694.db2.gz CGWFYLWJIJSZTQ-KRWDZBQOSA-N 2 1 298.515 3.418 20 0 CGADMP C=C/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286304 635445168 /nfs/dbraw/zinc/44/51/68/635445168.db2.gz MVQQOMMWBCJUNY-PIXXYMSQSA-N 2 1 260.425 3.067 20 0 CGADMP C=C/C=C/CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286304 635445172 /nfs/dbraw/zinc/44/51/72/635445172.db2.gz MVQQOMMWBCJUNY-PIXXYMSQSA-N 2 1 260.425 3.067 20 0 CGADMP C=C/C=C/CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878286304 635445175 /nfs/dbraw/zinc/44/51/75/635445175.db2.gz MVQQOMMWBCJUNY-PIXXYMSQSA-N 2 1 260.425 3.067 20 0 CGADMP Cc1ccncc1CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000809582235 630754849 /nfs/dbraw/zinc/75/48/49/630754849.db2.gz VSORXXLRLXANJO-SFHVURJKSA-N 2 1 289.467 3.129 20 0 CGADMP Cc1ccncc1CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000809582235 630754853 /nfs/dbraw/zinc/75/48/53/630754853.db2.gz VSORXXLRLXANJO-SFHVURJKSA-N 2 1 289.467 3.129 20 0 CGADMP Cc1ccncc1CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000809582235 630754857 /nfs/dbraw/zinc/75/48/57/630754857.db2.gz VSORXXLRLXANJO-SFHVURJKSA-N 2 1 289.467 3.129 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2cccc(OC)c2o1 ZINC000809750551 630798870 /nfs/dbraw/zinc/79/88/70/630798870.db2.gz ZZOGOYSTPIOJKB-UHFFFAOYSA-N 2 1 290.407 3.215 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2cccc(OC)c2o1 ZINC000809750551 630798875 /nfs/dbraw/zinc/79/88/75/630798875.db2.gz ZZOGOYSTPIOJKB-UHFFFAOYSA-N 2 1 290.407 3.215 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000810260874 630861332 /nfs/dbraw/zinc/86/13/32/630861332.db2.gz HNVSXFFEGKULJG-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000810260874 630861335 /nfs/dbraw/zinc/86/13/35/630861335.db2.gz HNVSXFFEGKULJG-HUUCEWRRSA-N 2 1 280.431 3.467 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000817910350 632233857 /nfs/dbraw/zinc/23/38/57/632233857.db2.gz RZGYCMMJSPQFOE-YEWWUXTCSA-N 2 1 298.386 3.186 20 0 CGADMP CC(C)(O)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817925368 632235014 /nfs/dbraw/zinc/23/50/14/632235014.db2.gz VJGRURLZJIHJLD-ZWKOTPCHSA-N 2 1 296.414 3.148 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000817961137 632257198 /nfs/dbraw/zinc/25/71/98/632257198.db2.gz XRVITFOBDWMETA-CYBMUJFWSA-N 2 1 294.439 3.010 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000817961724 632257629 /nfs/dbraw/zinc/25/76/29/632257629.db2.gz AWGCKSQNDPWZGQ-CVEARBPZSA-N 2 1 276.424 3.180 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817970176 632263259 /nfs/dbraw/zinc/26/32/59/632263259.db2.gz NGHMTUWCYNBBMD-ZANVPECISA-N 2 1 286.391 3.316 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000817981217 632271050 /nfs/dbraw/zinc/27/10/50/632271050.db2.gz HGTKOTPQLVMONQ-IAGOWNOFSA-N 2 1 258.409 3.089 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCO2 ZINC000817982518 632272652 /nfs/dbraw/zinc/27/26/52/632272652.db2.gz UQAMZNCKLGHQBF-IRXDYDNUSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)nc1 ZINC000817984844 632274517 /nfs/dbraw/zinc/27/45/17/632274517.db2.gz ATCGWJAIPFIJPO-WCQYABFASA-N 2 1 279.815 3.060 20 0 CGADMP CSCCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704868 635839246 /nfs/dbraw/zinc/83/92/46/635839246.db2.gz WGRPFWCVYIEDTE-UHFFFAOYSA-N 2 1 272.502 3.039 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1C(F)(F)F ZINC000865800606 632893822 /nfs/dbraw/zinc/89/38/22/632893822.db2.gz KTWKNWZQGRBXAA-VXGBXAGGSA-N 2 1 299.340 3.163 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663656 633002101 /nfs/dbraw/zinc/00/21/01/633002101.db2.gz GWSPJGMOKBEYQU-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663656 633002111 /nfs/dbraw/zinc/00/21/11/633002111.db2.gz GWSPJGMOKBEYQU-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663656 633002118 /nfs/dbraw/zinc/00/21/18/633002118.db2.gz GWSPJGMOKBEYQU-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663656 633002122 /nfs/dbraw/zinc/00/21/22/633002122.db2.gz GWSPJGMOKBEYQU-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822663656 633002130 /nfs/dbraw/zinc/00/21/30/633002130.db2.gz GWSPJGMOKBEYQU-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000822750076 633015016 /nfs/dbraw/zinc/01/50/16/633015016.db2.gz HKHGJWCIWZQUHM-MNOVXSKESA-N 2 1 288.222 3.173 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000866233657 633037995 /nfs/dbraw/zinc/03/79/95/633037995.db2.gz XVNGFVIZOHERJR-IKGGRYGDSA-N 2 1 289.467 3.255 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000866233657 633038001 /nfs/dbraw/zinc/03/80/01/633038001.db2.gz XVNGFVIZOHERJR-IKGGRYGDSA-N 2 1 289.467 3.255 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866239178 633039148 /nfs/dbraw/zinc/03/91/48/633039148.db2.gz RMAYCYWUFDEZMX-HNNXBMFYSA-N 2 1 271.408 3.111 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866365222 633103845 /nfs/dbraw/zinc/10/38/45/633103845.db2.gz QYUWHMCVGWRGCH-HOTGVXAUSA-N 2 1 277.456 3.113 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866365222 633103851 /nfs/dbraw/zinc/10/38/51/633103851.db2.gz QYUWHMCVGWRGCH-HOTGVXAUSA-N 2 1 277.456 3.113 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCOC1 ZINC000866562332 633194379 /nfs/dbraw/zinc/19/43/79/633194379.db2.gz RIQMZEIGBLVBHC-LZLYRXPVSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCCOC1 ZINC000866562332 633194392 /nfs/dbraw/zinc/19/43/92/633194392.db2.gz RIQMZEIGBLVBHC-LZLYRXPVSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583656 633203715 /nfs/dbraw/zinc/20/37/15/633203715.db2.gz DECZILSMMXVGSR-QGPMSJSTSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583656 633203722 /nfs/dbraw/zinc/20/37/22/633203722.db2.gz DECZILSMMXVGSR-QGPMSJSTSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583656 633203729 /nfs/dbraw/zinc/20/37/29/633203729.db2.gz DECZILSMMXVGSR-QGPMSJSTSA-N 2 1 290.426 3.173 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000866667683 633229695 /nfs/dbraw/zinc/22/96/95/633229695.db2.gz VAFDYYZUOKEINF-NXOAAHMSSA-N 2 1 296.499 3.277 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)o1 ZINC000121178962 633231644 /nfs/dbraw/zinc/23/16/44/633231644.db2.gz FICHHRKHOXCCQX-UHFFFAOYSA-N 2 1 266.429 3.495 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000866707411 633235827 /nfs/dbraw/zinc/23/58/27/633235827.db2.gz OAHKMBSQCOHMNX-DGCLKSJQSA-N 2 1 293.282 3.267 20 0 CGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872024079 633944801 /nfs/dbraw/zinc/94/48/01/633944801.db2.gz YFHCPGRFNNKRIJ-KRWDZBQOSA-N 2 1 297.531 3.209 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872033050 633951658 /nfs/dbraw/zinc/95/16/58/633951658.db2.gz BFPFVINLNSILHA-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872033050 633951660 /nfs/dbraw/zinc/95/16/60/633951660.db2.gz BFPFVINLNSILHA-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872033052 633951754 /nfs/dbraw/zinc/95/17/54/633951754.db2.gz BFPFVINLNSILHA-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872033052 633951756 /nfs/dbraw/zinc/95/17/56/633951756.db2.gz BFPFVINLNSILHA-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000846218251 636161120 /nfs/dbraw/zinc/16/11/20/636161120.db2.gz LVQBDPZSNKKILI-QGZVFWFLSA-N 2 1 278.415 3.352 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2nccs2)C1)C1CCCC1 ZINC000872156977 634067124 /nfs/dbraw/zinc/06/71/24/634067124.db2.gz MVXPHEKXPYJTNR-ZFWWWQNUSA-N 2 1 293.480 3.263 20 0 CGADMP CC[C@H](C[NH2+]Cc1cccc2ncccc12)[NH+]1CCCC1 ZINC000873012414 634230873 /nfs/dbraw/zinc/23/08/73/634230873.db2.gz HKYKLFBUVXWPOF-MRXNPFEDSA-N 2 1 283.419 3.199 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)CCO2 ZINC000834910694 634285341 /nfs/dbraw/zinc/28/53/41/634285341.db2.gz WNAHWWMOHRFLHB-AWEZNQCLSA-N 2 1 288.435 3.147 20 0 CGADMP C[C@H]1CC(C)(C)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213557 634285873 /nfs/dbraw/zinc/28/58/73/634285873.db2.gz HMLSYCNVMKTNIO-NSHDSACASA-N 2 1 264.438 3.014 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1F)CCCCCC[NH3+] ZINC000873231708 634294483 /nfs/dbraw/zinc/29/44/83/634294483.db2.gz UUSBLYCWPGXOSG-VOTSOKGWSA-N 2 1 282.378 3.429 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000841105107 635122174 /nfs/dbraw/zinc/12/21/74/635122174.db2.gz ZSTORDRWNGTPQM-UHFFFAOYSA-N 2 1 274.380 3.043 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000841105107 635122179 /nfs/dbraw/zinc/12/21/79/635122179.db2.gz ZSTORDRWNGTPQM-UHFFFAOYSA-N 2 1 274.380 3.043 20 0 CGADMP CC(C)C[N@@H+](C[C@H]1CCSC1)CC1CC[NH+](C)CC1 ZINC000877767389 635192868 /nfs/dbraw/zinc/19/28/68/635192868.db2.gz GTSMNJKCJPFKDW-MRXNPFEDSA-N 2 1 284.513 3.039 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000842473501 635377333 /nfs/dbraw/zinc/37/73/33/635377333.db2.gz WQCSJAPYZQFEKT-CABCVRRESA-N 2 1 270.486 3.256 20 0 CGADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])[C@H](c2ccccc2)CO1 ZINC000842472721 635378613 /nfs/dbraw/zinc/37/86/13/635378613.db2.gz JGFDXYSVYHZVLH-WMZOPIPTSA-N 2 1 290.451 3.358 20 0 CGADMP C[C@@H]1COc2ccccc2C[N@H+]1CCCCCCC[NH3+] ZINC000842478742 635379129 /nfs/dbraw/zinc/37/91/29/635379129.db2.gz ODNTYUQNGVZXAH-OAHLLOKOSA-N 2 1 276.424 3.179 20 0 CGADMP C(CC1CC1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285487 635442987 /nfs/dbraw/zinc/44/29/87/635442987.db2.gz AMUBBRUEVUYWPZ-WBVHZDCISA-N 2 1 262.441 3.125 20 0 CGADMP C(CC1CC1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285487 635442988 /nfs/dbraw/zinc/44/29/88/635442988.db2.gz AMUBBRUEVUYWPZ-WBVHZDCISA-N 2 1 262.441 3.125 20 0 CGADMP C=C/C=C/CC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000878513200 635537749 /nfs/dbraw/zinc/53/77/49/635537749.db2.gz XQMJPSIVOUMPFC-VOTSOKGWSA-N 2 1 261.413 3.290 20 0 CGADMP C=C/C=C/CC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000878513200 635537757 /nfs/dbraw/zinc/53/77/57/635537757.db2.gz XQMJPSIVOUMPFC-VOTSOKGWSA-N 2 1 261.413 3.290 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878513061 635539019 /nfs/dbraw/zinc/53/90/19/635539019.db2.gz UEWXJMHJGYDFEW-UONOGXRCSA-N 2 1 274.399 3.228 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000843056942 635553947 /nfs/dbraw/zinc/55/39/47/635553947.db2.gz CVXJYNXBZTZTFU-JQWIXIFHSA-N 2 1 286.391 3.170 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)COC2 ZINC000843108776 635559978 /nfs/dbraw/zinc/55/99/78/635559978.db2.gz SRLZVDCPJFOKLB-UHFFFAOYSA-N 2 1 296.414 3.068 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCC1(F)F ZINC000878693326 635606856 /nfs/dbraw/zinc/60/68/56/635606856.db2.gz RSDDWEZWOVZEHS-CYBMUJFWSA-N 2 1 274.399 3.276 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCc1ccsc1 ZINC000843360462 635653528 /nfs/dbraw/zinc/65/35/28/635653528.db2.gz XRENJQMCRMXKHW-GOOCMWNKSA-N 2 1 264.438 3.025 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000846109462 636145402 /nfs/dbraw/zinc/14/54/02/636145402.db2.gz JMOLCVGZJQCMSZ-UPJWGTAASA-N 2 1 293.282 3.280 20 0 CGADMP Cc1cc([C@H]2C[N@H+](CCCCCC[NH3+])CCO2)ccc1F ZINC000846220097 636161881 /nfs/dbraw/zinc/16/18/81/636161881.db2.gz BKZBLARGQULPTJ-QGZVFWFLSA-N 2 1 294.414 3.027 20 0 CGADMP Cc1cc([C@H]2C[N@@H+](CCCCCC[NH3+])CCO2)ccc1F ZINC000846220097 636161882 /nfs/dbraw/zinc/16/18/82/636161882.db2.gz BKZBLARGQULPTJ-QGZVFWFLSA-N 2 1 294.414 3.027 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](c2ccsc2)O1 ZINC000846219253 636162424 /nfs/dbraw/zinc/16/24/24/636162424.db2.gz MOXLIPIPFAOMLI-HIFRSBDPSA-N 2 1 282.453 3.029 20 0 CGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC000846220641 636163506 /nfs/dbraw/zinc/16/35/06/636163506.db2.gz STFQPVOWKCRQRK-HYMNUWHNSA-N 2 1 292.854 3.411 20 0 CGADMP CC(C)CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000846816108 636249056 /nfs/dbraw/zinc/24/90/56/636249056.db2.gz CQSBZMIAYRSETL-UHFFFAOYSA-N 2 1 263.429 3.111 20 0 CGADMP CC(C)CCCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848513473 636583107 /nfs/dbraw/zinc/58/31/07/636583107.db2.gz DSMVTTNWGGESBG-SFHVURJKSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC3(CC3)C2)C[C@H](C)O1 ZINC000883203959 636583568 /nfs/dbraw/zinc/58/35/68/636583568.db2.gz PHIHGHRVMLPTOV-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000883273702 636645456 /nfs/dbraw/zinc/64/54/56/636645456.db2.gz QYFNBTYZGMKBHK-RDBSUJKOSA-N 2 1 274.399 3.132 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883428033 636752087 /nfs/dbraw/zinc/75/20/87/636752087.db2.gz JWKKTANCHMXXHH-RCCFBDPRSA-N 2 1 288.435 3.110 20 0 CGADMP CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850421462 637055276 /nfs/dbraw/zinc/05/52/76/637055276.db2.gz VXWUSLBHFJREOI-PBHICJAKSA-N 2 1 288.435 3.147 20 0 CGADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850421462 637055281 /nfs/dbraw/zinc/05/52/81/637055281.db2.gz VXWUSLBHFJREOI-PBHICJAKSA-N 2 1 288.435 3.147 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000885981822 637341978 /nfs/dbraw/zinc/34/19/78/637341978.db2.gz OIGGBOJSMKBWOT-ZACQAIPSSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000885981822 637341982 /nfs/dbraw/zinc/34/19/82/637341982.db2.gz OIGGBOJSMKBWOT-ZACQAIPSSA-N 2 1 282.472 3.188 20 0 CGADMP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000851750411 637493199 /nfs/dbraw/zinc/49/31/99/637493199.db2.gz FDEBHBFZEXPIPE-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886841656 637713470 /nfs/dbraw/zinc/71/34/70/637713470.db2.gz RNASJQKUZCSANI-CRAIPNDOSA-N 2 1 294.483 3.033 20 0 CGADMP C[NH+](CCCF)Cc1ccc(C[N@@H+](C)CCCF)cc1 ZINC000887139833 637757635 /nfs/dbraw/zinc/75/76/35/637757635.db2.gz GHVHWDDLVYYOQJ-UHFFFAOYSA-N 2 1 284.394 3.269 20 0 CGADMP Fc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925498066 638240023 /nfs/dbraw/zinc/24/00/23/638240023.db2.gz BMLDXKZEICNRKM-WBVHZDCISA-N 2 1 294.389 3.223 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000924720631 638394262 /nfs/dbraw/zinc/39/42/62/638394262.db2.gz JJMVGCUCLIOQPI-OLZOCXBDSA-N 2 1 279.428 3.064 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000924752378 638399959 /nfs/dbraw/zinc/39/99/59/638399959.db2.gz NHLXWGDDKORSRV-HIFRSBDPSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)c1 ZINC000924827173 638410380 /nfs/dbraw/zinc/41/03/80/638410380.db2.gz AJMRJUCUNVYPCL-RVKKMQEKSA-N 2 1 290.451 3.040 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924918665 638424052 /nfs/dbraw/zinc/42/40/52/638424052.db2.gz XHANGNWCUFRVKU-JZXOWHBKSA-N 2 1 289.467 3.113 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924918665 638424060 /nfs/dbraw/zinc/42/40/60/638424060.db2.gz XHANGNWCUFRVKU-JZXOWHBKSA-N 2 1 289.467 3.113 20 0 CGADMP Fc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925507647 638514148 /nfs/dbraw/zinc/51/41/48/638514148.db2.gz WQZCDIGCDQHXPM-RDJZCZTQSA-N 2 1 276.399 3.084 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+])c1cccnc1 ZINC000925538927 638522348 /nfs/dbraw/zinc/52/23/48/638522348.db2.gz WRZVRRUQPWMNHR-MNEFBYGVSA-N 2 1 297.446 3.499 20 0 CGADMP CC1(C)C[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)C[C@@H]([NH3+])C1 ZINC000925559967 638529432 /nfs/dbraw/zinc/52/94/32/638529432.db2.gz VRGYZDCWYQCXGP-CABCVRRESA-N 2 1 299.418 3.337 20 0 CGADMP COCC(C)(C)CCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925676087 638565758 /nfs/dbraw/zinc/56/57/58/638565758.db2.gz YMETVQWYSAGOGH-HOCLYGCPSA-N 2 1 278.440 3.117 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1CCC(F)CC1)c1ccccc1 ZINC000925714576 638577621 /nfs/dbraw/zinc/57/76/21/638577621.db2.gz ZWVYSAJQTKXLTM-ADNDVJRGSA-N 2 1 264.388 3.193 20 0 CGADMP COc1ccc(C2CC2)cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000925736355 638589472 /nfs/dbraw/zinc/58/94/72/638589472.db2.gz MJQKXUWTCLIAFT-CJNGLKHVSA-N 2 1 288.435 3.050 20 0 CGADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1Cl ZINC000925741435 638593505 /nfs/dbraw/zinc/59/35/05/638593505.db2.gz QTRPINCLLXSURQ-VIFPVBQESA-N 2 1 258.768 3.257 20 0 CGADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000925742503 638593732 /nfs/dbraw/zinc/59/37/32/638593732.db2.gz UXEWPPJJBJOUCL-SNVBAGLBSA-N 2 1 294.830 3.005 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917279 638605126 /nfs/dbraw/zinc/60/51/26/638605126.db2.gz UQPKIXDXGFTNQR-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917279 638605131 /nfs/dbraw/zinc/60/51/31/638605131.db2.gz UQPKIXDXGFTNQR-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775540 638608914 /nfs/dbraw/zinc/60/89/14/638608914.db2.gz GZDIHHNSFGFKBS-VXGBXAGGSA-N 2 1 286.341 3.030 20 0 CGADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846070 638630933 /nfs/dbraw/zinc/63/09/33/638630933.db2.gz OAHMOCVPDKXLPH-BFYDXBDKSA-N 2 1 292.373 3.074 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)CC1(C)C ZINC000858115910 638635457 /nfs/dbraw/zinc/63/54/57/638635457.db2.gz FZANWLQYQPUYBA-AWEZNQCLSA-N 2 1 271.408 3.130 20 0 CGADMP C1C([NH2+][C@@H]2CCOC23CCCCC3)CC1[NH+]1CCCCC1 ZINC000926338470 638764249 /nfs/dbraw/zinc/76/42/49/638764249.db2.gz DWIQSZFQFDLCCQ-OFLPRAFFSA-N 2 1 292.467 3.085 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccccn1 ZINC000926504516 638778952 /nfs/dbraw/zinc/77/89/52/638778952.db2.gz UOKPJOSZWKVBFT-WMZOPIPTSA-N 2 1 289.467 3.113 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000926572887 638787011 /nfs/dbraw/zinc/78/70/11/638787011.db2.gz ICBTXTWBOKUATD-QAPCUYQASA-N 2 1 287.451 3.244 20 0 CGADMP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926736856 638805484 /nfs/dbraw/zinc/80/54/84/638805484.db2.gz BPPQPGBHXRYLJN-DZJNRPSUSA-N 2 1 274.452 3.053 20 0 CGADMP COC/C(C)=C\CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000929644301 638936929 /nfs/dbraw/zinc/93/69/29/638936929.db2.gz PDCSFNKMKHEACJ-ZKLTYMAFSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C\C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000929644301 638936931 /nfs/dbraw/zinc/93/69/31/638936931.db2.gz PDCSFNKMKHEACJ-ZKLTYMAFSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C\C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000929644301 638936933 /nfs/dbraw/zinc/93/69/33/638936933.db2.gz PDCSFNKMKHEACJ-ZKLTYMAFSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C\C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000929644301 638936934 /nfs/dbraw/zinc/93/69/34/638936934.db2.gz PDCSFNKMKHEACJ-ZKLTYMAFSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C\C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000929644301 638936936 /nfs/dbraw/zinc/93/69/36/638936936.db2.gz PDCSFNKMKHEACJ-ZKLTYMAFSA-N 2 1 294.483 3.166 20 0 CGADMP C[C@H](c1ccc(F)nc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309768 638990099 /nfs/dbraw/zinc/99/00/99/638990099.db2.gz LWBAOZZPYCGMSC-CQSZACIVSA-N 2 1 291.414 3.090 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccc4ncccc4c3)C[C@]2(C)C1 ZINC000931310885 639132499 /nfs/dbraw/zinc/13/24/99/639132499.db2.gz JLNBTGCBQNKZAZ-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](Cc3ccc4ncccc4c3)C[C@]2(C)C1 ZINC000931310885 639132502 /nfs/dbraw/zinc/13/25/02/639132502.db2.gz JLNBTGCBQNKZAZ-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](Cc3ccc4ncccc4c3)C[C@]2(C)C1 ZINC000931310885 639132505 /nfs/dbraw/zinc/13/25/05/639132505.db2.gz JLNBTGCBQNKZAZ-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccc4ncccc4c3)C[C@]2(C)C1 ZINC000931310885 639132507 /nfs/dbraw/zinc/13/25/07/639132507.db2.gz JLNBTGCBQNKZAZ-KDURUIRLSA-N 2 1 295.430 3.008 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437277 639148438 /nfs/dbraw/zinc/14/84/38/639148438.db2.gz BBJCPAFNSRIICQ-OGHNNQOOSA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437277 639148444 /nfs/dbraw/zinc/14/84/44/639148444.db2.gz BBJCPAFNSRIICQ-OGHNNQOOSA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437277 639148448 /nfs/dbraw/zinc/14/84/48/639148448.db2.gz BBJCPAFNSRIICQ-OGHNNQOOSA-N 2 1 294.389 3.299 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931928733 639234071 /nfs/dbraw/zinc/23/40/71/639234071.db2.gz KTXYUIHDUAGRNH-IPMKNSEASA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931928733 639234076 /nfs/dbraw/zinc/23/40/76/639234076.db2.gz KTXYUIHDUAGRNH-IPMKNSEASA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931928733 639234087 /nfs/dbraw/zinc/23/40/87/639234087.db2.gz KTXYUIHDUAGRNH-IPMKNSEASA-N 2 1 284.447 3.134 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CC[C@@H](OC)C1 ZINC000859996358 639264881 /nfs/dbraw/zinc/26/48/81/639264881.db2.gz ATHKAEXNIKGMJW-ZWKOTPCHSA-N 2 1 290.451 3.138 20 0 CGADMP CC(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000932449871 639335241 /nfs/dbraw/zinc/33/52/41/639335241.db2.gz ULCXYXBITFFWRT-KRWDZBQOSA-N 2 1 275.440 3.024 20 0 CGADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000932449871 639335248 /nfs/dbraw/zinc/33/52/48/639335248.db2.gz ULCXYXBITFFWRT-KRWDZBQOSA-N 2 1 275.440 3.024 20 0 CGADMP CC(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000932449871 639335259 /nfs/dbraw/zinc/33/52/59/639335259.db2.gz ULCXYXBITFFWRT-KRWDZBQOSA-N 2 1 275.440 3.024 20 0 CGADMP CC(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000932449871 639335263 /nfs/dbraw/zinc/33/52/63/639335263.db2.gz ULCXYXBITFFWRT-KRWDZBQOSA-N 2 1 275.440 3.024 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000934289064 639571597 /nfs/dbraw/zinc/57/15/97/639571597.db2.gz KIUVHAQNCYHLGO-INIZCTEOSA-N 2 1 286.423 3.272 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000076443451 640198891 /nfs/dbraw/zinc/19/88/91/640198891.db2.gz YPEPISIAHSRPPF-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000250797743 640816764 /nfs/dbraw/zinc/81/67/64/640816764.db2.gz BXWYRCBABLGNEX-OTHOMEOQSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251007839 640820142 /nfs/dbraw/zinc/82/01/42/640820142.db2.gz SLWLGEPBTCFEQE-KBMXLJTQSA-N 2 1 292.854 3.487 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251007837 640820179 /nfs/dbraw/zinc/82/01/79/640820179.db2.gz SLWLGEPBTCFEQE-BMFZPTHFSA-N 2 1 292.854 3.487 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000251908801 640834917 /nfs/dbraw/zinc/83/49/17/640834917.db2.gz XAMIPUJPMYAHOL-CZUORRHYSA-N 2 1 260.425 3.153 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccccc2)CCC1 ZINC000096950548 640846591 /nfs/dbraw/zinc/84/65/91/640846591.db2.gz FVMSODNKPZDSHZ-INIZCTEOSA-N 2 1 258.409 3.170 20 0 CGADMP C[N@H+]1CCc2ccc(Nc3ccc4c[nH+]cn4c3)cc2C1 ZINC001250335665 805580499 /nfs/dbraw/zinc/58/04/99/805580499.db2.gz NCFFJZBYYSPOTO-UHFFFAOYSA-N 2 1 278.359 3.066 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2nccc3c4c([nH]c32)CCC4)C1 ZINC001156386056 805681358 /nfs/dbraw/zinc/68/13/58/805681358.db2.gz NSHOCLTVJONMSW-CYBMUJFWSA-N 2 1 298.434 3.195 20 0 CGADMP C[N@@H+]1CCC[C@H](CCNc2[nH+]ccc3c4c([nH]c32)CCC4)C1 ZINC001156386056 805681365 /nfs/dbraw/zinc/68/13/65/805681365.db2.gz NSHOCLTVJONMSW-CYBMUJFWSA-N 2 1 298.434 3.195 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2[nH+]ccc3c4c([nH]c32)CCC4)C1 ZINC001156386056 805681370 /nfs/dbraw/zinc/68/13/70/805681370.db2.gz NSHOCLTVJONMSW-CYBMUJFWSA-N 2 1 298.434 3.195 20 0 CGADMP C[NH+]1CCC(C)(c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)CC1 ZINC001250565344 805697295 /nfs/dbraw/zinc/69/72/95/805697295.db2.gz GPKYPMWUHVQVFN-UHFFFAOYSA-N 2 1 298.434 3.146 20 0 CGADMP COc1ccc2c(C)cc(N3CCC[C@@](C)(C[NH3+])C3)[nH+]c2c1 ZINC001158678950 805985370 /nfs/dbraw/zinc/98/53/70/805985370.db2.gz PUVZZEHJPIWRMN-SFHVURJKSA-N 2 1 299.418 3.117 20 0 CGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2ccc(C[NH3+])c2)nc1 ZINC001158767278 805999973 /nfs/dbraw/zinc/99/99/73/805999973.db2.gz QKUFWUVKCJRMFT-QGZVFWFLSA-N 2 1 298.434 3.268 20 0 CGADMP c1ccc(-c2cc(NC3=CCC[NH2+]C3)cc[nH+]2)cc1 ZINC001159198035 806057444 /nfs/dbraw/zinc/05/74/44/806057444.db2.gz LYRFBEWCZINPGX-UHFFFAOYSA-N 2 1 251.333 3.038 20 0 CGADMP CCCCC[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001253539755 806242633 /nfs/dbraw/zinc/24/26/33/806242633.db2.gz ZIXIKTXWPSVEOM-BZSNNMDCSA-N 2 1 296.499 3.266 20 0 CGADMP CCCCC[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001253539755 806242637 /nfs/dbraw/zinc/24/26/37/806242637.db2.gz ZIXIKTXWPSVEOM-BZSNNMDCSA-N 2 1 296.499 3.266 20 0 CGADMP CCCCC[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001253539755 806242644 /nfs/dbraw/zinc/24/26/44/806242644.db2.gz ZIXIKTXWPSVEOM-BZSNNMDCSA-N 2 1 296.499 3.266 20 0 CGADMP Cc1c[nH+]c(NC2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC001161104268 806351503 /nfs/dbraw/zinc/35/15/03/806351503.db2.gz PMANBIDLAHIFMI-UHFFFAOYSA-N 2 1 296.418 3.170 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001254491283 806415773 /nfs/dbraw/zinc/41/57/73/806415773.db2.gz SVTSZTGCYQKHAX-WBVHZDCISA-N 2 1 262.441 3.315 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCCOc2cccc(Cl)c2)CC1 ZINC001254500630 806420843 /nfs/dbraw/zinc/42/08/43/806420843.db2.gz WYFWZAGMVYMTEE-OAHLLOKOSA-N 2 1 296.842 3.183 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCSCc2ccc(F)cc2)CC1 ZINC001254500739 806421072 /nfs/dbraw/zinc/42/10/72/806421072.db2.gz KFWPPVVOGMBDCC-MRXNPFEDSA-N 2 1 296.455 3.133 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254506463 806425774 /nfs/dbraw/zinc/42/57/74/806425774.db2.gz SPDPTYMPCJBMMM-NVXWUHKLSA-N 2 1 258.409 3.056 20 0 CGADMP C[C@@H]([NH3+])Cc1cn([C@@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254507069 806427524 /nfs/dbraw/zinc/42/75/24/806427524.db2.gz FJTNPTYUNCFMON-GDBMZVCRSA-N 2 1 285.435 3.188 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254513371 806433133 /nfs/dbraw/zinc/43/31/33/806433133.db2.gz XFXGQMAFFHTKSF-GJZGRUSLSA-N 2 1 276.424 3.220 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254513371 806433137 /nfs/dbraw/zinc/43/31/37/806433137.db2.gz XFXGQMAFFHTKSF-GJZGRUSLSA-N 2 1 276.424 3.220 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)CC1 ZINC001254513535 806434324 /nfs/dbraw/zinc/43/43/24/806434324.db2.gz ZQKXQHWNPSQCKZ-NSHDSACASA-N 2 1 266.351 3.039 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254516016 806436123 /nfs/dbraw/zinc/43/61/23/806436123.db2.gz IOZVKMGMAIVNCG-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254516016 806436129 /nfs/dbraw/zinc/43/61/29/806436129.db2.gz IOZVKMGMAIVNCG-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1c2ccccc2CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254516016 806436133 /nfs/dbraw/zinc/43/61/33/806436133.db2.gz IOZVKMGMAIVNCG-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525466 806438144 /nfs/dbraw/zinc/43/81/44/806438144.db2.gz JHDAQFNRNMGISC-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525466 806438145 /nfs/dbraw/zinc/43/81/45/806438145.db2.gz JHDAQFNRNMGISC-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525466 806438148 /nfs/dbraw/zinc/43/81/48/806438148.db2.gz JHDAQFNRNMGISC-NVXWUHKLSA-N 2 1 276.399 3.099 20 0 CGADMP Cc1ccc2c(c1)c1c(n2[C@H]2CCC[N@H+](C)CC2)CC[NH2+]C1 ZINC001254521925 806439104 /nfs/dbraw/zinc/43/91/04/806439104.db2.gz AETSSOSKCCVFKD-HNNXBMFYSA-N 2 1 297.446 3.252 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254524372 806439331 /nfs/dbraw/zinc/43/93/31/806439331.db2.gz BBYPSSGYPISNOW-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254524372 806439336 /nfs/dbraw/zinc/43/93/36/806439336.db2.gz BBYPSSGYPISNOW-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@H]2CCC[NH+]2[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254524372 806439339 /nfs/dbraw/zinc/43/93/39/806439339.db2.gz BBYPSSGYPISNOW-SJLPKXTDSA-N 2 1 288.435 3.316 20 0 CGADMP C[N@@H+](CCCc1ccccc1)[C@H]1CCC[NH+](C)CC1 ZINC001254523944 806440070 /nfs/dbraw/zinc/44/00/70/806440070.db2.gz SHOOLNVOPJXEIX-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCCc1ccccc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254523944 806440075 /nfs/dbraw/zinc/44/00/75/806440075.db2.gz SHOOLNVOPJXEIX-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCCc1ccccc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254523944 806440080 /nfs/dbraw/zinc/44/00/80/806440080.db2.gz SHOOLNVOPJXEIX-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254522969 806440810 /nfs/dbraw/zinc/44/08/10/806440810.db2.gz LFDDJJOSRLDGOU-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254522969 806440815 /nfs/dbraw/zinc/44/08/15/806440815.db2.gz LFDDJJOSRLDGOU-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254522969 806440820 /nfs/dbraw/zinc/44/08/20/806440820.db2.gz LFDDJJOSRLDGOU-FUHWJXTLSA-N 2 1 288.435 3.316 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001254526136 806442225 /nfs/dbraw/zinc/44/22/25/806442225.db2.gz OJZKJGHRCYDGOY-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001254526136 806442230 /nfs/dbraw/zinc/44/22/30/806442230.db2.gz OJZKJGHRCYDGOY-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001254526136 806442237 /nfs/dbraw/zinc/44/22/37/806442237.db2.gz OJZKJGHRCYDGOY-IAGOWNOFSA-N 2 1 290.476 3.261 20 0 CGADMP Cc1cccc(C(=[NH2+])N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001255102888 806543558 /nfs/dbraw/zinc/54/35/58/806543558.db2.gz PXJQPLDNPOIIKA-GOSISDBHSA-N 2 1 293.414 3.184 20 0 CGADMP Cc1cccc(C(=[NH2+])N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001255102888 806543563 /nfs/dbraw/zinc/54/35/63/806543563.db2.gz PXJQPLDNPOIIKA-GOSISDBHSA-N 2 1 293.414 3.184 20 0 CGADMP C[NH2+]Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001255116733 806546886 /nfs/dbraw/zinc/54/68/86/806546886.db2.gz YYNZAYURJNFHGG-LJQANCHMSA-N 2 1 295.430 3.092 20 0 CGADMP [NH3+]Cc1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255129485 806549967 /nfs/dbraw/zinc/54/99/67/806549967.db2.gz ZNIJLIZCAXILPS-REPLKXPHSA-N 2 1 295.430 3.315 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2cc(F)ccc21 ZINC001162453352 806587824 /nfs/dbraw/zinc/58/78/24/806587824.db2.gz JRTNDBHWHGLWDJ-OCCSQVGLSA-N 2 1 287.382 3.422 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccncc3)CC2)cc1 ZINC001255378296 806628781 /nfs/dbraw/zinc/62/87/81/806628781.db2.gz NLTYPQLHRZXBGD-LJQANCHMSA-N 2 1 295.430 3.226 20 0 CGADMP FCC1([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255381989 806630724 /nfs/dbraw/zinc/63/07/24/806630724.db2.gz RFEWTVKPKRECLT-INIZCTEOSA-N 2 1 276.399 3.133 20 0 CGADMP FCC1([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255381989 806630729 /nfs/dbraw/zinc/63/07/29/806630729.db2.gz RFEWTVKPKRECLT-INIZCTEOSA-N 2 1 276.399 3.133 20 0 CGADMP C[N@H+]1CCC[C@H](n2cc(CC[NH3+])c3ccc(Cl)cc32)C1 ZINC001255476929 806647805 /nfs/dbraw/zinc/64/78/05/806647805.db2.gz IBZILALMZKPZCZ-AWEZNQCLSA-N 2 1 291.826 3.063 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CCC[N@H+](C)C2)n1 ZINC001255493234 806652199 /nfs/dbraw/zinc/65/21/99/806652199.db2.gz WABFWQNVXMJRNL-DOTOQJQBSA-N 2 1 298.434 3.001 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CCC[N@@H+](C)C2)n1 ZINC001255493234 806652203 /nfs/dbraw/zinc/65/22/03/806652203.db2.gz WABFWQNVXMJRNL-DOTOQJQBSA-N 2 1 298.434 3.001 20 0 CGADMP C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3[nH+]c(N)[nH]c3c2)c1 ZINC001162908021 806683238 /nfs/dbraw/zinc/68/32/38/806683238.db2.gz JDZNNEVSTPMNKU-JTQLQIEISA-N 2 1 291.358 3.109 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036936542 798853215 /nfs/dbraw/zinc/85/32/15/798853215.db2.gz AGJXFSBLGPPAMH-WWTUQBGBSA-N 2 1 292.854 3.486 20 0 CGADMP Cc1cc([C@H]2CCC[NH+]2C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)no1 ZINC001255674381 806702332 /nfs/dbraw/zinc/70/23/32/806702332.db2.gz RXCLJDANVKWGGD-KJFZJZGVSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@H]2CCC[NH+]2C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC001255674381 806702337 /nfs/dbraw/zinc/70/23/37/806702337.db2.gz RXCLJDANVKWGGD-KJFZJZGVSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2C2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001255674381 806702344 /nfs/dbraw/zinc/70/23/44/806702344.db2.gz RXCLJDANVKWGGD-KJFZJZGVSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@H]2CCC[N@@H+]2C2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001255674381 806702347 /nfs/dbraw/zinc/70/23/47/806702347.db2.gz RXCLJDANVKWGGD-KJFZJZGVSA-N 2 1 289.423 3.135 20 0 CGADMP CC1(C)CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000093678238 798965916 /nfs/dbraw/zinc/96/59/16/798965916.db2.gz BJPNFHUHZCNCOP-GOOCMWNKSA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(C)cc2)CC1 ZINC000159257395 799072609 /nfs/dbraw/zinc/07/26/09/799072609.db2.gz BKBHFRVZSUFILW-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001255727632 806723453 /nfs/dbraw/zinc/72/34/53/806723453.db2.gz GTQPODSJXNXWGF-DZGCQCFKSA-N 2 1 296.455 3.380 20 0 CGADMP Cc1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c2[nH+]ccn2c1 ZINC001163215789 806725327 /nfs/dbraw/zinc/72/53/27/806725327.db2.gz SKFAUJLCDMQMKX-WBVHZDCISA-N 2 1 292.386 3.158 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC000300248880 799204095 /nfs/dbraw/zinc/20/40/95/799204095.db2.gz WECDYKVYIHFLPF-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC000300248880 799204099 /nfs/dbraw/zinc/20/40/99/799204099.db2.gz WECDYKVYIHFLPF-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC001163305539 806738858 /nfs/dbraw/zinc/73/88/58/806738858.db2.gz LMYXXNIZPSVXPQ-LLVKDONJSA-N 2 1 287.329 3.021 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000382202892 799394105 /nfs/dbraw/zinc/39/41/05/799394105.db2.gz MREUVGURVAWEHD-INIZCTEOSA-N 2 1 260.425 3.371 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cs1 ZINC000384994996 799422254 /nfs/dbraw/zinc/42/22/54/799422254.db2.gz RFYVGMFXGDLYSN-HNNXBMFYSA-N 2 1 264.438 3.022 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cs1 ZINC000384994996 799422259 /nfs/dbraw/zinc/42/22/59/799422259.db2.gz RFYVGMFXGDLYSN-HNNXBMFYSA-N 2 1 264.438 3.022 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403312332 799565236 /nfs/dbraw/zinc/56/52/36/799565236.db2.gz YZCNRTMIPLXOIH-OLZOCXBDSA-N 2 1 262.388 3.119 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)[C@@H]1CC[NH3+] ZINC000404451771 799577326 /nfs/dbraw/zinc/57/73/26/799577326.db2.gz ZDHJZUBYNKOJOM-IJLUTSLNSA-N 2 1 279.255 3.020 20 0 CGADMP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687968029 799743166 /nfs/dbraw/zinc/74/31/66/799743166.db2.gz GJJGVRBNFVCMMC-WCQYABFASA-N 2 1 264.438 3.014 20 0 CGADMP C[C@H](CC[NH2+]Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000697919824 799851388 /nfs/dbraw/zinc/85/13/88/799851388.db2.gz LKHCBDKIJNEQPF-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP CC1CCC([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699265178 799859449 /nfs/dbraw/zinc/85/94/49/799859449.db2.gz XUMWBAVBKDWGLV-OZEOOWDWSA-N 2 1 250.430 3.028 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001255939758 806790088 /nfs/dbraw/zinc/79/00/88/806790088.db2.gz JFDQMFYOVHVKEP-ZDUSSCGKSA-N 2 1 252.377 3.036 20 0 CGADMP CC[NH+](CC)CC[C@H](C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001255944164 806791615 /nfs/dbraw/zinc/79/16/15/806791615.db2.gz SEFMUUAUFXFCCT-KSZLIROESA-N 2 1 297.531 3.064 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001255944164 806791618 /nfs/dbraw/zinc/79/16/18/806791618.db2.gz SEFMUUAUFXFCCT-KSZLIROESA-N 3 1 297.531 3.064 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001255944164 806791621 /nfs/dbraw/zinc/79/16/21/806791621.db2.gz SEFMUUAUFXFCCT-KSZLIROESA-N 3 1 297.531 3.064 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCCc2ncccc21 ZINC001255947653 806792375 /nfs/dbraw/zinc/79/23/75/806792375.db2.gz ULEMDALSAFIMDO-WMLDXEAASA-N 2 1 275.440 3.169 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000708235438 799983543 /nfs/dbraw/zinc/98/35/43/799983543.db2.gz GBRKOWWPKWFPRS-ZIAGYGMSSA-N 2 1 274.399 3.261 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000708235438 799983547 /nfs/dbraw/zinc/98/35/47/799983547.db2.gz GBRKOWWPKWFPRS-ZIAGYGMSSA-N 2 1 274.399 3.261 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cn1 ZINC001255947072 806793155 /nfs/dbraw/zinc/79/31/55/806793155.db2.gz NJXXPSDKWUOPKH-GJZGRUSLSA-N 2 1 263.429 3.161 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC001255950270 806793864 /nfs/dbraw/zinc/79/38/64/806793864.db2.gz GOKGGTCMVWIMGJ-PBHICJAKSA-N 2 1 275.440 3.243 20 0 CGADMP C([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708762659 799993370 /nfs/dbraw/zinc/99/33/70/799993370.db2.gz AOCMWXOQTCOLDI-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000708860944 799997429 /nfs/dbraw/zinc/99/74/29/799997429.db2.gz NGSXPOGZNWYKSL-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951808 806795763 /nfs/dbraw/zinc/79/57/63/806795763.db2.gz BBBMJSYNHNUAMI-SZMVWBNQSA-N 3 1 295.515 3.089 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C(F)(F)F ZINC000712568891 800093073 /nfs/dbraw/zinc/09/30/73/800093073.db2.gz HOQMWHJEMMNDDM-SECBINFHSA-N 2 1 294.748 3.446 20 0 CGADMP CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715570703 800139573 /nfs/dbraw/zinc/13/95/73/800139573.db2.gz FCVAAAXHWLQCNG-HZPDHXFCSA-N 2 1 276.424 3.048 20 0 CGADMP CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715570706 800139960 /nfs/dbraw/zinc/13/99/60/800139960.db2.gz FCVAAAXHWLQCNG-JKSUJKDBSA-N 2 1 276.424 3.048 20 0 CGADMP CC(C)(C)C1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072558 806811065 /nfs/dbraw/zinc/81/10/65/806811065.db2.gz DNCYXDOQXMPXSF-UHFFFAOYSA-N 2 1 264.457 3.371 20 0 CGADMP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000718594380 800217594 /nfs/dbraw/zinc/21/75/94/800217594.db2.gz XUSOYOFJECRNQO-CHWSQXEVSA-N 2 1 260.372 3.028 20 0 CGADMP CC(F)(F)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000718594380 800217601 /nfs/dbraw/zinc/21/76/01/800217601.db2.gz XUSOYOFJECRNQO-CHWSQXEVSA-N 2 1 260.372 3.028 20 0 CGADMP Cc1cccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001256073786 806812778 /nfs/dbraw/zinc/81/27/78/806812778.db2.gz DKWZJIPGNFPOEF-UHFFFAOYSA-N 2 1 270.420 3.201 20 0 CGADMP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000718754284 800222002 /nfs/dbraw/zinc/22/20/02/800222002.db2.gz QVCUBMIABLEUEK-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@@H]1C(F)(F)F ZINC000720888859 800270666 /nfs/dbraw/zinc/27/06/66/800270666.db2.gz NNSWCICKAZHSMO-KGLIPLIRSA-N 2 1 292.389 3.416 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723690970 800337528 /nfs/dbraw/zinc/33/75/28/800337528.db2.gz CTZJUNAKKSGJQU-SWLSCSKDSA-N 2 1 266.816 3.462 20 0 CGADMP CC1(C)CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903130649 800594249 /nfs/dbraw/zinc/59/42/49/800594249.db2.gz NDAMOJPNGASPBP-WYQXTGKHSA-N 2 1 262.441 3.313 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1ccccc1 ZINC000925713806 800632186 /nfs/dbraw/zinc/63/21/86/800632186.db2.gz UKXYYLBXOPXNPJ-MHEUCROKSA-N 2 1 284.806 3.369 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC001256202110 806848737 /nfs/dbraw/zinc/84/87/37/806848737.db2.gz YAOINDIMSPNDHI-OAHLLOKOSA-N 2 1 268.351 3.100 20 0 CGADMP Cc1cc[nH+]c(C)c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163912363 806848761 /nfs/dbraw/zinc/84/87/61/806848761.db2.gz WULKVPCCBSYKMV-UHFFFAOYSA-N 2 1 296.418 3.173 20 0 CGADMP C[NH+]1CCC([NH2+]CC(C)(C)Cc2ccccc2F)CC1 ZINC001256201266 806848889 /nfs/dbraw/zinc/84/88/89/806848889.db2.gz BAUOIBVSLLDGPB-UHFFFAOYSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256541685 806912605 /nfs/dbraw/zinc/91/26/05/806912605.db2.gz MPZGISDPOZMFNO-JFIYKMOQSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256541685 806912609 /nfs/dbraw/zinc/91/26/09/806912609.db2.gz MPZGISDPOZMFNO-JFIYKMOQSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256541685 806912612 /nfs/dbraw/zinc/91/26/12/806912612.db2.gz MPZGISDPOZMFNO-JFIYKMOQSA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256541685 806912614 /nfs/dbraw/zinc/91/26/14/806912614.db2.gz MPZGISDPOZMFNO-JFIYKMOQSA-N 2 1 272.436 3.381 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001256569706 806920136 /nfs/dbraw/zinc/92/01/36/806920136.db2.gz NWMCOHKMMLWOPA-CYBMUJFWSA-N 2 1 256.409 3.073 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256618246 806927336 /nfs/dbraw/zinc/92/73/36/806927336.db2.gz FVXNWZSCKXPRMF-GOOCMWNKSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccccc1C(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256618246 806927342 /nfs/dbraw/zinc/92/73/42/806927342.db2.gz FVXNWZSCKXPRMF-GOOCMWNKSA-N 2 1 288.435 3.145 20 0 CGADMP CC[N@H+]1CCCN(c2c(C)c[nH+]c3ccccc32)CC1 ZINC001116271691 802320332 /nfs/dbraw/zinc/32/03/32/802320332.db2.gz LPNBUNUXULTBKU-UHFFFAOYSA-N 2 1 269.392 3.075 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172846172 808459008 /nfs/dbraw/zinc/45/90/08/808459008.db2.gz SDTYKCCXTTXJDZ-CHWSQXEVSA-N 2 1 298.833 3.484 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@@H]2C1 ZINC001119988971 802721233 /nfs/dbraw/zinc/72/12/33/802721233.db2.gz MMAOCYYYJKGCNF-MELADBBJSA-N 2 1 294.389 3.127 20 0 CGADMP c1ccc(C[N@H+]2CC[C@]3(CCN(c4cc[nH+]cc4)C3)C2)cc1 ZINC001120779200 802776377 /nfs/dbraw/zinc/77/63/77/802776377.db2.gz BLFGJLLFPCCGKI-IBGZPJMESA-N 2 1 293.414 3.184 20 0 CGADMP C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256902415 807004463 /nfs/dbraw/zinc/00/44/63/807004463.db2.gz UIENUXOTVQMUBD-HZPDHXFCSA-N 2 1 296.499 3.313 20 0 CGADMP C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256902415 807004470 /nfs/dbraw/zinc/00/44/70/807004470.db2.gz UIENUXOTVQMUBD-HZPDHXFCSA-N 2 1 296.499 3.313 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206807956 813443722 /nfs/dbraw/zinc/44/37/22/813443722.db2.gz IYJUYVBJYUKDFF-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206807956 813443728 /nfs/dbraw/zinc/44/37/28/813443728.db2.gz IYJUYVBJYUKDFF-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206812274 813443851 /nfs/dbraw/zinc/44/38/51/813443851.db2.gz YYHNVCCFJCTLMO-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc2nc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)ccc2c1 ZINC001137217026 803699052 /nfs/dbraw/zinc/69/90/52/803699052.db2.gz HDRRQYAYBLMCKL-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2nc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)ccc2c1 ZINC001137217026 803699056 /nfs/dbraw/zinc/69/90/56/803699056.db2.gz HDRRQYAYBLMCKL-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001137217026 803699062 /nfs/dbraw/zinc/69/90/62/803699062.db2.gz HDRRQYAYBLMCKL-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc2c1 ZINC001137217026 803699064 /nfs/dbraw/zinc/69/90/64/803699064.db2.gz HDRRQYAYBLMCKL-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3cc(C)ccc3[nH]2)CC1 ZINC001138419966 803928325 /nfs/dbraw/zinc/92/83/25/803928325.db2.gz JGUFULFGLDFDSO-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3cc(C)ccc3[nH]2)CC1 ZINC001138419966 803928331 /nfs/dbraw/zinc/92/83/31/803928331.db2.gz JGUFULFGLDFDSO-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1 ZINC001138549228 803964719 /nfs/dbraw/zinc/96/47/19/803964719.db2.gz RXSMTPMRPWFEAJ-XIRDDKMYSA-N 2 1 285.366 3.113 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1 ZINC001138549228 803964726 /nfs/dbraw/zinc/96/47/26/803964726.db2.gz RXSMTPMRPWFEAJ-XIRDDKMYSA-N 2 1 285.366 3.113 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2(CC2)C1 ZINC001138771899 804035207 /nfs/dbraw/zinc/03/52/07/804035207.db2.gz JRBVSWVHYAQAOC-HNNXBMFYSA-N 2 1 288.435 3.001 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC001246070835 804109093 /nfs/dbraw/zinc/10/90/93/804109093.db2.gz GDLLZEBIVNKHQI-HZPDHXFCSA-N 2 1 264.388 3.226 20 0 CGADMP CCCCCC[C@@H](CC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246087708 804120056 /nfs/dbraw/zinc/12/00/56/804120056.db2.gz HKPNWWGMGDNSFV-QGZVFWFLSA-N 2 1 283.504 3.010 20 0 CGADMP Clc1ccc(Cl)c(CC[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246095274 804126854 /nfs/dbraw/zinc/12/68/54/804126854.db2.gz DYTOLZFRAPKZSS-ZDUSSCGKSA-N 2 1 287.234 3.268 20 0 CGADMP CCn1ccc2ccc(C[N@H+](C)CCC[NH+](C)C)cc21 ZINC001139119533 804129597 /nfs/dbraw/zinc/12/95/97/804129597.db2.gz SZAKLAHXAZTFMK-UHFFFAOYSA-N 2 1 273.424 3.045 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)CCC[NH+](C)C)cc21 ZINC001139119533 804129601 /nfs/dbraw/zinc/12/96/01/804129601.db2.gz SZAKLAHXAZTFMK-UHFFFAOYSA-N 2 1 273.424 3.045 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246102296 804135480 /nfs/dbraw/zinc/13/54/80/804135480.db2.gz CNNPBOQGRWNZJO-WWGRRREGSA-N 2 1 280.843 3.249 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246107395 804140522 /nfs/dbraw/zinc/14/05/22/804140522.db2.gz AWNVFEPWPPCSNH-IXDOHACOSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(F)CCCC[NH2+]C2)CC(C)(C)C1 ZINC001246112698 804142985 /nfs/dbraw/zinc/14/29/85/804142985.db2.gz MFEXTIHVJLHNKN-FMKPAKJESA-N 2 1 270.436 3.273 20 0 CGADMP CC[C@H]1CC([NH2+][C@@H]2CCOc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246113719 804144404 /nfs/dbraw/zinc/14/44/04/804144404.db2.gz JUOUZMRHZQVCEU-GRDNDAEWSA-N 2 1 288.435 3.409 20 0 CGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113357 804144673 /nfs/dbraw/zinc/14/46/73/804144673.db2.gz NYSSLOQTPBDXNC-HUUCEWRRSA-N 2 1 258.425 3.273 20 0 CGADMP C1CCC2(CC1)CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246126809 804154435 /nfs/dbraw/zinc/15/44/35/804154435.db2.gz JWBSTDIYHIGOSC-GJZGRUSLSA-N 2 1 250.430 3.221 20 0 CGADMP C1CCC2(CC1)CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246126808 804155025 /nfs/dbraw/zinc/15/50/25/804155025.db2.gz JWBSTDIYHIGOSC-CABCVRRESA-N 2 1 250.430 3.221 20 0 CGADMP C1CCC2(CC1)CCC([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246128771 804155845 /nfs/dbraw/zinc/15/58/45/804155845.db2.gz NLCAFJYAMWYCFA-HNNXBMFYSA-N 2 1 250.430 3.221 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246137157 804160766 /nfs/dbraw/zinc/16/07/66/804160766.db2.gz ZAXDCOPMKIPPRR-IRXDYDNUSA-N 2 1 272.436 3.130 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC001246156954 804172367 /nfs/dbraw/zinc/17/23/67/804172367.db2.gz DJBDZZDDPHLPMH-IUODEOHRSA-N 2 1 284.806 3.345 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)CC1 ZINC001246160550 804177664 /nfs/dbraw/zinc/17/76/64/804177664.db2.gz NNSMPXULTYJKMP-ZGUYJTEBSA-N 2 1 294.483 3.092 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CC[NH2+]1 ZINC001246168154 804182865 /nfs/dbraw/zinc/18/28/65/804182865.db2.gz XFHGPCZLKLJNGR-DLBZAZTESA-N 2 1 289.467 3.153 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)C[NH2+]1 ZINC001246170702 804185378 /nfs/dbraw/zinc/18/53/78/804185378.db2.gz IZZUHSQEPBDQEG-URGYJCLVSA-N 2 1 252.446 3.321 20 0 CGADMP CCCC1CCC([NH2+]C[C@]2(F)CCC[NH2+]C2)CC1 ZINC001246174391 804188892 /nfs/dbraw/zinc/18/88/92/804188892.db2.gz KOEHCKJAALIMRM-NRXISQOPSA-N 2 1 256.409 3.027 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246174681 804189515 /nfs/dbraw/zinc/18/95/15/804189515.db2.gz COFIVWUJNXVEMS-VXGBXAGGSA-N 2 1 284.806 3.142 20 0 CGADMP CC(C)(Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246179587 804194211 /nfs/dbraw/zinc/19/42/11/804194211.db2.gz NORIFYVMMYNQBW-AWEZNQCLSA-N 2 1 266.816 3.003 20 0 CGADMP C([NH2+]C1CCC2(CCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC001246180698 804194291 /nfs/dbraw/zinc/19/42/91/804194291.db2.gz RDTCTHZUIQSKHD-HNNXBMFYSA-N 2 1 250.430 3.221 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246185725 804196514 /nfs/dbraw/zinc/19/65/14/804196514.db2.gz CRVVSWNIMXGXGL-ZWNOBZJWSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246187020 804198266 /nfs/dbraw/zinc/19/82/66/804198266.db2.gz FKYZYRWVDCNWEC-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@]1([NH2+]C2CCC3(CCCC3)CC2)CCC[NH2+]C1 ZINC001246189483 804198605 /nfs/dbraw/zinc/19/86/05/804198605.db2.gz MYRXQPMMOSQFGZ-OAHLLOKOSA-N 2 1 250.430 3.221 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)CC1 ZINC001246220529 804215523 /nfs/dbraw/zinc/21/55/23/804215523.db2.gz LCJIRYPOPOIUIW-YMAMQOFZSA-N 2 1 288.426 3.426 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246231283 804223537 /nfs/dbraw/zinc/22/35/37/804223537.db2.gz PAQZDWZNJGRJET-MELADBBJSA-N 2 1 276.415 3.426 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)C)C2)c(F)c1 ZINC001246233699 804226516 /nfs/dbraw/zinc/22/65/16/804226516.db2.gz LIEOSLFOKDANRA-GDBMZVCRSA-N 2 1 264.388 3.000 20 0 CGADMP c1ccc2cc(CC[NH2+][C@@H]3CCCC[NH2+]C3)ccc2c1 ZINC001246233472 804226721 /nfs/dbraw/zinc/22/67/21/804226721.db2.gz KQNHPKOKJCECQM-GOSISDBHSA-N 2 1 268.404 3.114 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246236304 804228266 /nfs/dbraw/zinc/22/82/66/804228266.db2.gz VKRYSQIAGWCXJM-NRSFXHEJSA-N 2 1 272.436 3.443 20 0 CGADMP CC[C@H]1CC[C@H](C2CCC([NH2+]C[C@@H]([NH3+])COC)CC2)CC1 ZINC001246239980 804232641 /nfs/dbraw/zinc/23/26/41/804232641.db2.gz LENCKQUOCXFMCF-TWGIBVSRSA-N 2 1 296.499 3.325 20 0 CGADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2Cl)CC[NH2+]1 ZINC001246262041 804243591 /nfs/dbraw/zinc/24/35/91/804243591.db2.gz HGGIEPHMAQMXRT-UONOGXRCSA-N 2 1 266.816 3.269 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCCCCCCCO)C[NH2+]1 ZINC001246271415 804249822 /nfs/dbraw/zinc/24/98/22/804249822.db2.gz ILDLCAOQCRVHDH-IAGOWNOFSA-N 2 1 284.488 3.220 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246279360 804254389 /nfs/dbraw/zinc/25/43/89/804254389.db2.gz MVNXTRHHYKRUCL-CABCVRRESA-N 2 1 282.378 3.320 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CCC2)CC[NH2+]1 ZINC001246282062 804256042 /nfs/dbraw/zinc/25/60/42/804256042.db2.gz UAZPAGIAPHXYRY-DXCKQFNASA-N 2 1 276.399 3.397 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246286427 804259750 /nfs/dbraw/zinc/25/97/50/804259750.db2.gz LUVPBZBUWYCTOR-MRXNPFEDSA-N 2 1 260.425 3.259 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)c2ccccc2Cl)CC[NH2+]1 ZINC001246314495 804274876 /nfs/dbraw/zinc/27/48/76/804274876.db2.gz XSHWSWNLCQGZHE-VXGBXAGGSA-N 2 1 266.816 3.305 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246326171 804283145 /nfs/dbraw/zinc/28/31/45/804283145.db2.gz MCBIDWOZIHZXEV-UEKVPHQBSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246329003 804284463 /nfs/dbraw/zinc/28/44/63/804284463.db2.gz LCCKIIKCPVSQJK-WFASDCNBSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246331928 804287635 /nfs/dbraw/zinc/28/76/35/804287635.db2.gz OSYGAPIMXXFJFT-RXQRSOPUSA-N 2 1 286.463 3.376 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCCCCCCCCC[NH3+])C[NH2+]1 ZINC001246332037 804288183 /nfs/dbraw/zinc/28/81/83/804288183.db2.gz DAFURAKSTQKIHC-IAGOWNOFSA-N 3 1 283.504 3.186 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)C[NH2+]1 ZINC001246336991 804291164 /nfs/dbraw/zinc/29/11/64/804291164.db2.gz RVQDOZJBWQBJKH-GVLSGGHMSA-N 2 1 276.468 3.466 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246341186 804292357 /nfs/dbraw/zinc/29/23/57/804292357.db2.gz HMSCPPRQMKIUBH-JQWOWJDXSA-N 2 1 299.245 3.407 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001246347341 804297625 /nfs/dbraw/zinc/29/76/25/804297625.db2.gz TUNTYOAIAOVXSF-GJZGRUSLSA-N 2 1 280.843 3.160 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246349258 804298278 /nfs/dbraw/zinc/29/82/78/804298278.db2.gz XOUFAQCZMAAFNV-FZMZJTMJSA-N 2 1 268.832 3.234 20 0 CGADMP Fc1cccc(CC2([NH2+][C@@H]3CCCC[NH2+]C3)CCC2)c1 ZINC001246386036 804315982 /nfs/dbraw/zinc/31/59/82/804315982.db2.gz CMHBTMIYEHAVPH-MRXNPFEDSA-N 2 1 276.399 3.023 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)C[NH2+]1 ZINC001246394672 804320049 /nfs/dbraw/zinc/32/00/49/804320049.db2.gz SVROYXIRZIHSQR-CZUORRHYSA-N 2 1 276.399 3.021 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCC2)C[NH2+]1 ZINC001246433391 804332135 /nfs/dbraw/zinc/33/21/35/804332135.db2.gz JIQCANRUYMVBTP-ZFWWWQNUSA-N 2 1 276.399 3.021 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@H+](C)C(C)(C)C ZINC001140024346 804355644 /nfs/dbraw/zinc/35/56/44/804355644.db2.gz ACMUTWSSMDLKTN-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C(C)(C)C ZINC001140024346 804355651 /nfs/dbraw/zinc/35/56/51/804355651.db2.gz ACMUTWSSMDLKTN-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C(C)(C)C ZINC001140024346 804355660 /nfs/dbraw/zinc/35/56/60/804355660.db2.gz ACMUTWSSMDLKTN-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP CC[N@@H+](Cc1ccccc1-n1ccnc1C)C1CC1 ZINC001140023366 804356846 /nfs/dbraw/zinc/35/68/46/804356846.db2.gz MELRVHLYETWSLC-UHFFFAOYSA-N 2 1 255.365 3.165 20 0 CGADMP CC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CC1 ZINC001140023366 804356855 /nfs/dbraw/zinc/35/68/55/804356855.db2.gz MELRVHLYETWSLC-UHFFFAOYSA-N 2 1 255.365 3.165 20 0 CGADMP CC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CC1 ZINC001140023366 804356864 /nfs/dbraw/zinc/35/68/64/804356864.db2.gz MELRVHLYETWSLC-UHFFFAOYSA-N 2 1 255.365 3.165 20 0 CGADMP CC[N@@H+](C1CC1)[C@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246524477 804378757 /nfs/dbraw/zinc/37/87/57/804378757.db2.gz RPYOLKPKHKKTFY-RDJZCZTQSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246527379 804380747 /nfs/dbraw/zinc/38/07/47/804380747.db2.gz TZSLYIUPYWJEJJ-MSOLQXFVSA-N 2 1 272.436 3.349 20 0 CGADMP CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246533582 804382913 /nfs/dbraw/zinc/38/29/13/804382913.db2.gz VSOJGCWYBRFNDD-HZPDHXFCSA-N 2 1 252.446 3.418 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246533383 804383183 /nfs/dbraw/zinc/38/31/83/804383183.db2.gz NECBXTGIBSNFKU-YMAMQOFZSA-N 2 1 264.457 3.405 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246533383 804383191 /nfs/dbraw/zinc/38/31/91/804383191.db2.gz NECBXTGIBSNFKU-YMAMQOFZSA-N 2 1 264.457 3.405 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001246541747 804390970 /nfs/dbraw/zinc/39/09/70/804390970.db2.gz NGABVZSAOLHQMP-KLHKWILBSA-N 2 1 288.435 3.190 20 0 CGADMP CCCCCC1CCC([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246542787 804392027 /nfs/dbraw/zinc/39/20/27/804392027.db2.gz LJZJPPMLQBSPLL-ABHNRTSZSA-N 2 1 296.499 3.301 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246547032 804396124 /nfs/dbraw/zinc/39/61/24/804396124.db2.gz AICJOPKTFWKFSJ-AGIUHOORSA-N 2 1 298.833 3.327 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246547032 804396131 /nfs/dbraw/zinc/39/61/31/804396131.db2.gz AICJOPKTFWKFSJ-AGIUHOORSA-N 2 1 298.833 3.327 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001246549097 804398644 /nfs/dbraw/zinc/39/86/44/804398644.db2.gz HAPJEUANMIZYOW-JYJNAYRXSA-N 2 1 292.492 3.392 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C[C@H](C)CC(C)C)C1 ZINC001246550028 804401221 /nfs/dbraw/zinc/40/12/21/804401221.db2.gz LINKLFMMJAGOFA-OAGGEKHMSA-N 2 1 254.462 3.379 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552088 804401887 /nfs/dbraw/zinc/40/18/87/804401887.db2.gz NRWHITGZUPQZPF-GXTWGEPZSA-N 2 1 258.475 3.110 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC(C)(C)C1 ZINC001246551787 804402693 /nfs/dbraw/zinc/40/26/93/804402693.db2.gz REKLFQCQFRDOOY-IIAWOOMASA-N 2 1 270.436 3.354 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246551753 804402902 /nfs/dbraw/zinc/40/29/02/804402902.db2.gz QTBFVURRWHLAMU-HUUCEWRRSA-N 2 1 258.425 3.498 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246554492 804404839 /nfs/dbraw/zinc/40/48/39/804404839.db2.gz VJUMAYQGOGWXOT-YOEHRIQHSA-N 2 1 292.854 3.401 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246557259 804406359 /nfs/dbraw/zinc/40/63/59/804406359.db2.gz KGYKALKREVJMDX-QRQLOZEOSA-N 2 1 286.463 3.472 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246558611 804408808 /nfs/dbraw/zinc/40/88/08/804408808.db2.gz NASARJIEAYGKPQ-MELADBBJSA-N 2 1 272.502 3.213 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001246560547 804410581 /nfs/dbraw/zinc/41/05/81/804410581.db2.gz VMNBQPSSVTZQDR-ZBFHGGJFSA-N 2 1 296.405 3.232 20 0 CGADMP C[C@H]1C[N@H+](C2CCc3ccccc3CC2)CCC[C@@H]1C[NH3+] ZINC001246566532 804413947 /nfs/dbraw/zinc/41/39/47/804413947.db2.gz IZTMQQYRJRQEMY-MAUKXSAKSA-N 2 1 286.463 3.241 20 0 CGADMP C1CC2(C[C@H]1[N@@H+]1C[C@@H]3CCCC[C@@H]3C1)CC[NH2+]CC2 ZINC001246573583 804421247 /nfs/dbraw/zinc/42/12/47/804421247.db2.gz TVCWPQSMFYUGTA-XHSDSOJGSA-N 2 1 262.441 3.031 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246575709 804422292 /nfs/dbraw/zinc/42/22/92/804422292.db2.gz NMBFADQRIKNBPJ-CBBWQLFWSA-N 2 1 256.409 3.120 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246575709 804422296 /nfs/dbraw/zinc/42/22/96/804422296.db2.gz NMBFADQRIKNBPJ-CBBWQLFWSA-N 2 1 256.409 3.120 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246578751 804423771 /nfs/dbraw/zinc/42/37/71/804423771.db2.gz CARRMICEKFYXQR-CABCVRRESA-N 2 1 258.425 3.208 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246578751 804423774 /nfs/dbraw/zinc/42/37/74/804423774.db2.gz CARRMICEKFYXQR-CABCVRRESA-N 2 1 258.425 3.208 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246578853 804424372 /nfs/dbraw/zinc/42/43/72/804424372.db2.gz CARRMICEKFYXQR-HUUCEWRRSA-N 2 1 258.425 3.208 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246578853 804424375 /nfs/dbraw/zinc/42/43/75/804424375.db2.gz CARRMICEKFYXQR-HUUCEWRRSA-N 2 1 258.425 3.208 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246577335 804424814 /nfs/dbraw/zinc/42/48/14/804424814.db2.gz OONSUFNAHRNHMO-JYJNAYRXSA-N 2 1 270.461 3.031 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246580863 804426475 /nfs/dbraw/zinc/42/64/75/804426475.db2.gz IGKIOSCZTMMURC-ZFWWWQNUSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246582850 804428501 /nfs/dbraw/zinc/42/85/01/804428501.db2.gz HTKAMAFAWFVBKT-PBHICJAKSA-N 2 1 278.415 3.208 20 0 CGADMP CCCOC1CCC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246589170 804432375 /nfs/dbraw/zinc/43/23/75/804432375.db2.gz CRYMDYALGDNAOR-OFLPRAFFSA-N 2 1 282.472 3.175 20 0 CGADMP C[C@]1(F)CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1F ZINC001246591812 804434209 /nfs/dbraw/zinc/43/42/09/804434209.db2.gz XSLZFWODBCSSAO-PYBGIAKNSA-N 2 1 286.410 3.071 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246593859 804434670 /nfs/dbraw/zinc/43/46/70/804434670.db2.gz TVZDTWMTMLCDFY-QRQLOZEOSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@@H]1CC([N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246593387 804435567 /nfs/dbraw/zinc/43/55/67/804435567.db2.gz MQNMDYDODSFEPZ-ZACQAIPSSA-N 3 1 295.515 3.148 20 0 CGADMP CC[C@@H]1CC(N(C(C)C)[C@H]2CCC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246593387 804435571 /nfs/dbraw/zinc/43/55/71/804435571.db2.gz MQNMDYDODSFEPZ-ZACQAIPSSA-N 2 1 295.515 3.148 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246597565 804436735 /nfs/dbraw/zinc/43/67/35/804436735.db2.gz XMQMCJGZYDWXLZ-UONOGXRCSA-N 2 1 296.455 3.367 20 0 CGADMP CC(C)[N@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597240 804437289 /nfs/dbraw/zinc/43/72/89/804437289.db2.gz WWJJIJCNBKGKNX-BRWVUGGUSA-N 3 1 295.515 3.006 20 0 CGADMP CC(C)[N@@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597240 804437293 /nfs/dbraw/zinc/43/72/93/804437293.db2.gz WWJJIJCNBKGKNX-BRWVUGGUSA-N 3 1 295.515 3.006 20 0 CGADMP CC(C)[N@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597243 804437318 /nfs/dbraw/zinc/43/73/18/804437318.db2.gz WWJJIJCNBKGKNX-IXDOHACOSA-N 3 1 295.515 3.006 20 0 CGADMP CC(C)[N@@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597243 804437325 /nfs/dbraw/zinc/43/73/25/804437325.db2.gz WWJJIJCNBKGKNX-IXDOHACOSA-N 3 1 295.515 3.006 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246608760 804443185 /nfs/dbraw/zinc/44/31/85/804443185.db2.gz JLVNASQKDLXPOB-PKOBYXMFSA-N 2 1 284.447 3.070 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)C[C@H]1C ZINC001246611602 804444712 /nfs/dbraw/zinc/44/47/12/804444712.db2.gz GQTVJNMKWKMXNW-WCXIOVBPSA-N 2 1 264.457 3.419 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001246611620 804446837 /nfs/dbraw/zinc/44/68/37/804446837.db2.gz UTLNORJIRUKPJT-QFBILLFUSA-N 2 1 286.463 3.398 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246614339 804448735 /nfs/dbraw/zinc/44/87/35/804448735.db2.gz RUDCLFWYTSCZCX-ZBFHGGJFSA-N 2 1 284.513 3.372 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246616057 804450216 /nfs/dbraw/zinc/45/02/16/804450216.db2.gz WYZHCYUATPDRKM-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@@H](CC)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246616739 804451194 /nfs/dbraw/zinc/45/11/94/804451194.db2.gz BFJZZQKRELLQSN-SJORKVTESA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@H](CC)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246616738 804452537 /nfs/dbraw/zinc/45/25/37/804452537.db2.gz BFJZZQKRELLQSN-IRXDYDNUSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246622027 804455219 /nfs/dbraw/zinc/45/52/19/804455219.db2.gz FTZXBMHOISAEFJ-RTXFEEFZSA-N 2 1 299.245 3.076 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246622027 804455222 /nfs/dbraw/zinc/45/52/22/804455222.db2.gz FTZXBMHOISAEFJ-RTXFEEFZSA-N 2 1 299.245 3.076 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246623537 804455230 /nfs/dbraw/zinc/45/52/30/804455230.db2.gz AOZUEHCJBNRLAL-XSLAGTTESA-N 2 1 270.420 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C[C@@H](C)C1 ZINC001246626909 804458465 /nfs/dbraw/zinc/45/84/65/804458465.db2.gz VIUCJRHQFSAOPF-JJXSEGSLSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627369 804458878 /nfs/dbraw/zinc/45/88/78/804458878.db2.gz JGNYTIZAEUCLMC-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246632446 804462425 /nfs/dbraw/zinc/46/24/25/804462425.db2.gz YJFAANQTLHGBPN-WCVJEAGWSA-N 2 1 252.446 3.133 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633978 804464653 /nfs/dbraw/zinc/46/46/53/804464653.db2.gz GGSYZYVTBCASGE-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246637180 804465250 /nfs/dbraw/zinc/46/52/50/804465250.db2.gz OWJATJMKHKEUKX-SQNIBIBYSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246637180 804465253 /nfs/dbraw/zinc/46/52/53/804465253.db2.gz OWJATJMKHKEUKX-SQNIBIBYSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@@]4(CC[NH2+]4)C3)CC2)cc1 ZINC001246635248 804465648 /nfs/dbraw/zinc/46/56/48/804465648.db2.gz JMUCAMDMCRZKJW-ABHNRTSZSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@@]4(CC[NH2+]4)C3)CC2)cc1 ZINC001246635248 804465652 /nfs/dbraw/zinc/46/56/52/804465652.db2.gz JMUCAMDMCRZKJW-ABHNRTSZSA-N 2 1 270.420 3.151 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246639319 804467784 /nfs/dbraw/zinc/46/77/84/804467784.db2.gz PPXRJLYDJQMUTA-QDIHITRGSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C[C@H]1C ZINC001246641846 804468925 /nfs/dbraw/zinc/46/89/25/804468925.db2.gz GMAIXQAZBVHZOS-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@@H](CCC)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246642433 804469123 /nfs/dbraw/zinc/46/91/23/804469123.db2.gz WNVRLBHAZBOSMB-SJORKVTESA-N 2 1 282.472 3.047 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246642791 804470134 /nfs/dbraw/zinc/47/01/34/804470134.db2.gz PHVXUPMKVXWPKE-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001246642809 804470208 /nfs/dbraw/zinc/47/02/08/804470208.db2.gz PRSFIHUOCAWTJX-HNNXBMFYSA-N 2 1 272.436 3.008 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644458 804472592 /nfs/dbraw/zinc/47/25/92/804472592.db2.gz QBHRSLKRSURDKU-HOTGVXAUSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644458 804472595 /nfs/dbraw/zinc/47/25/95/804472595.db2.gz QBHRSLKRSURDKU-HOTGVXAUSA-N 2 1 250.430 3.339 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246646846 804473538 /nfs/dbraw/zinc/47/35/38/804473538.db2.gz OOOBHMZSHRROIV-LXPRWKDFSA-N 2 1 272.436 3.211 20 0 CGADMP C1[NH2+][C@H]2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)CC[C@@H]12 ZINC001246648666 804474891 /nfs/dbraw/zinc/47/48/91/804474891.db2.gz RKRIUXHLFVAAAG-XHSDSOJGSA-N 2 1 262.441 3.173 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246655251 804480717 /nfs/dbraw/zinc/48/07/17/804480717.db2.gz YSJWBMOGJSDUGP-ODZFXCKXSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH+]2CCC3(CCCC3)CC2)CC[NH2+]1 ZINC001246657722 804482196 /nfs/dbraw/zinc/48/21/96/804482196.db2.gz PTTLSTRZTUFHCZ-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246660069 804483303 /nfs/dbraw/zinc/48/33/03/804483303.db2.gz OGKPIIOJFYVEEB-QRVBRYPASA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246662753 804485297 /nfs/dbraw/zinc/48/52/97/804485297.db2.gz UQXLGTABLLFGAM-JONQDZQNSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246662753 804485298 /nfs/dbraw/zinc/48/52/98/804485298.db2.gz UQXLGTABLLFGAM-JONQDZQNSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CCC([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001246668198 804488568 /nfs/dbraw/zinc/48/85/68/804488568.db2.gz WYKZEGWLVWCDCY-GYTBAZASSA-N 2 1 250.430 3.014 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)C1 ZINC001246673925 804489373 /nfs/dbraw/zinc/48/93/73/804489373.db2.gz QPCFUFCIZHITIB-LMCOJAPRSA-N 2 1 298.474 3.428 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246671134 804489813 /nfs/dbraw/zinc/48/98/13/804489813.db2.gz ACAVTGUTMHIJLE-IEBWSBKVSA-N 2 1 286.463 3.185 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246676965 804491906 /nfs/dbraw/zinc/49/19/06/804491906.db2.gz FNQONRPRWFALCP-TWMKSMIVSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246678452 804492946 /nfs/dbraw/zinc/49/29/46/804492946.db2.gz FFZSSEDXXFXCAB-RDJZCZTQSA-N 2 1 258.409 3.274 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)CCC[NH3+] ZINC001246678406 804493078 /nfs/dbraw/zinc/49/30/78/804493078.db2.gz DMIKIZPZHNPMDF-SNVBAGLBSA-N 2 1 275.223 3.205 20 0 CGADMP C1C[NH2+]C[C@@H]([C@@H]2CCC[N@H+](C3CCCCCC3)C2)C1 ZINC001246678550 804493198 /nfs/dbraw/zinc/49/31/98/804493198.db2.gz OFPOPUVBQCHYQV-JKSUJKDBSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CCN(Cc2cc[nH]c2)CC1 ZINC001140707472 804493215 /nfs/dbraw/zinc/49/32/15/804493215.db2.gz MYWGQCVJJHIHNI-UHFFFAOYSA-N 2 1 283.419 3.111 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246678363 804493358 /nfs/dbraw/zinc/49/33/58/804493358.db2.gz MLVRARJHWJLXFQ-IEBWSBKVSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246685708 804495808 /nfs/dbraw/zinc/49/58/08/804495808.db2.gz AWPVIYJBSCYYHJ-HRCADAONSA-N 2 1 268.420 3.145 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3sccc3C2)C[C@H](CC)[NH2+]1 ZINC001246682981 804496286 /nfs/dbraw/zinc/49/62/86/804496286.db2.gz PIYDCNUWQNMJFJ-FICVDOATSA-N 2 1 278.465 3.415 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3sccc3C2)C[C@H](CC)[NH2+]1 ZINC001246682981 804496290 /nfs/dbraw/zinc/49/62/90/804496290.db2.gz PIYDCNUWQNMJFJ-FICVDOATSA-N 2 1 278.465 3.415 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1 ZINC001246683449 804496388 /nfs/dbraw/zinc/49/63/88/804496388.db2.gz JYIIWNJTSCLITO-LULLPPNCSA-N 2 1 284.447 3.254 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CC[NH2+]1 ZINC001246759499 804501208 /nfs/dbraw/zinc/50/12/08/804501208.db2.gz MGPPJFCBAIXPPR-DZVNLGKHSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC001246774637 804505291 /nfs/dbraw/zinc/50/52/91/804505291.db2.gz GBCFVQRPYGIPGM-PBHICJAKSA-N 2 1 268.404 3.412 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246779934 804507444 /nfs/dbraw/zinc/50/74/44/804507444.db2.gz JPLOPUYHTKLCNO-DEYYWGMASA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCCC[C@H]2CCOC)C[C@@H](CC)[NH2+]1 ZINC001246780961 804508708 /nfs/dbraw/zinc/50/87/08/804508708.db2.gz CZWYTCHGQCYAEN-OAGGEKHMSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784338 804509374 /nfs/dbraw/zinc/50/93/74/804509374.db2.gz FZLYRLPATCJEMA-KEYYUXOJSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784338 804509379 /nfs/dbraw/zinc/50/93/79/804509379.db2.gz FZLYRLPATCJEMA-KEYYUXOJSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784328 804510337 /nfs/dbraw/zinc/51/03/37/804510337.db2.gz FZLYRLPATCJEMA-CPUCHLNUSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784328 804510342 /nfs/dbraw/zinc/51/03/42/804510342.db2.gz FZLYRLPATCJEMA-CPUCHLNUSA-N 2 1 276.399 3.493 20 0 CGADMP C[N@H+](Cc1cccs1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246783598 804510366 /nfs/dbraw/zinc/51/03/66/804510366.db2.gz PKMXXNMYKPPJNL-OCCSQVGLSA-N 2 1 266.454 3.347 20 0 CGADMP C[N@@H+](Cc1cccs1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246783598 804510369 /nfs/dbraw/zinc/51/03/69/804510369.db2.gz PKMXXNMYKPPJNL-OCCSQVGLSA-N 2 1 266.454 3.347 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246787462 804511191 /nfs/dbraw/zinc/51/11/91/804511191.db2.gz CXOWJKZRAPHMPJ-CABCVRRESA-N 2 1 250.430 3.316 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1C ZINC001246792337 804515781 /nfs/dbraw/zinc/51/57/81/804515781.db2.gz UXPBIVAXTRYDFS-KCITZHQASA-N 2 1 286.463 3.470 20 0 CGADMP Fc1ccc(F)c([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246793725 804517887 /nfs/dbraw/zinc/51/78/87/804517887.db2.gz WPDIPXTYNAVCKX-DVJFUJMWSA-N 2 1 292.373 3.385 20 0 CGADMP Fc1ccc(F)c([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246793725 804517892 /nfs/dbraw/zinc/51/78/92/804517892.db2.gz WPDIPXTYNAVCKX-DVJFUJMWSA-N 2 1 292.373 3.385 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001246796134 804518751 /nfs/dbraw/zinc/51/87/51/804518751.db2.gz LLAKCLSMPGLDQP-GOSISDBHSA-N 2 1 290.426 3.005 20 0 CGADMP CCCC1CCC([N@@H+](CC)C2CC[NH2+]CC2)CC1 ZINC001246798410 804520058 /nfs/dbraw/zinc/52/00/58/804520058.db2.gz SVMIYMJDTVWYNS-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](C1CCCC1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246801106 804521364 /nfs/dbraw/zinc/52/13/64/804521364.db2.gz ZGTPNCHLZAVSSF-OAHLLOKOSA-N 2 1 250.430 3.316 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246814113 804530564 /nfs/dbraw/zinc/53/05/64/804530564.db2.gz NMSUZWIYBUORHB-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246815681 804531621 /nfs/dbraw/zinc/53/16/21/804531621.db2.gz ZZJOUWBSTIJIEB-CGTJXYLNSA-N 2 1 272.436 3.254 20 0 CGADMP c1ccc([C@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246815486 804532642 /nfs/dbraw/zinc/53/26/42/804532642.db2.gz DCUVPXZSMZKFCB-FHWLQOOXSA-N 2 1 284.447 3.398 20 0 CGADMP Cc1c[nH]c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001140861892 804536818 /nfs/dbraw/zinc/53/68/18/804536818.db2.gz SHXOOIMFIYFGNE-IRXDYDNUSA-N 2 1 289.467 3.470 20 0 CGADMP Cc1c[nH]c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001140861892 804536821 /nfs/dbraw/zinc/53/68/21/804536821.db2.gz SHXOOIMFIYFGNE-IRXDYDNUSA-N 2 1 289.467 3.470 20 0 CGADMP Cc1c[nH]c(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001140861892 804536825 /nfs/dbraw/zinc/53/68/25/804536825.db2.gz SHXOOIMFIYFGNE-IRXDYDNUSA-N 2 1 289.467 3.470 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246822670 804536856 /nfs/dbraw/zinc/53/68/56/804536856.db2.gz MIZQSLDOJJEIQE-QILLFSRXSA-N 2 1 288.435 3.363 20 0 CGADMP Fc1ccccc1CC1CC[NH+]([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246822844 804537201 /nfs/dbraw/zinc/53/72/01/804537201.db2.gz LUDWENQZTBSSDK-QGZVFWFLSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246831442 804540295 /nfs/dbraw/zinc/54/02/95/804540295.db2.gz FDWKABILFMIWMB-LTIDMASMSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC001246831442 804540298 /nfs/dbraw/zinc/54/02/98/804540298.db2.gz FDWKABILFMIWMB-LTIDMASMSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246832682 804543162 /nfs/dbraw/zinc/54/31/62/804543162.db2.gz KLSIBOWZSZPCBF-OCCSQVGLSA-N 2 1 282.428 3.120 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246836367 804543826 /nfs/dbraw/zinc/54/38/26/804543826.db2.gz XUJHBOXRRYDMRR-DJIMGWMZSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246839405 804547640 /nfs/dbraw/zinc/54/76/40/804547640.db2.gz AXLSTGYBVRCGGI-HUBLWGQQSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246840204 804548518 /nfs/dbraw/zinc/54/85/18/804548518.db2.gz GFSVIEKMENRWCO-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP CCC(CC)[N@@H+](CC)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246840745 804549979 /nfs/dbraw/zinc/54/99/79/804549979.db2.gz POICNPISSSLJFA-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246840804 804550811 /nfs/dbraw/zinc/55/08/11/804550811.db2.gz KTGDDZQZCLITBG-STQMWFEESA-N 2 1 298.833 3.342 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246842815 804551964 /nfs/dbraw/zinc/55/19/64/804551964.db2.gz DMRCMGMQKKSRLC-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246843390 804552025 /nfs/dbraw/zinc/55/20/25/804552025.db2.gz WALPZKQSMSITMD-FRXHMLBDSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001246845986 804554342 /nfs/dbraw/zinc/55/43/42/804554342.db2.gz OFWCXKDZZJSMMV-NVXWUHKLSA-N 2 1 260.425 3.254 20 0 CGADMP c1ccc(C[C@H]2C[C@H]([N@@H+]3C[C@@H]4CCCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246846559 804555720 /nfs/dbraw/zinc/55/57/20/804555720.db2.gz OODKEMGLRLLEGQ-ZGXWSNOMSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC001246847709 804558665 /nfs/dbraw/zinc/55/86/65/804558665.db2.gz LUYXEEMPUDIGMW-IMJJTQAJSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc2c(c1)C[N@H+](C1CCCCC1)CC21CC[NH2+]CC1 ZINC001246862060 804566523 /nfs/dbraw/zinc/56/65/23/804566523.db2.gz PRNNWZAUJUOPAX-UHFFFAOYSA-N 2 1 284.447 3.456 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001246865379 804569501 /nfs/dbraw/zinc/56/95/01/804569501.db2.gz UFYIDYKNISRRSD-ROUUACIJSA-N 2 1 274.452 3.329 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)CC2)cc1 ZINC001246870642 804572225 /nfs/dbraw/zinc/57/22/25/804572225.db2.gz YWAFAARGUZNCDT-NUVZVAJJSA-N 2 1 298.474 3.472 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246871188 804573550 /nfs/dbraw/zinc/57/35/50/804573550.db2.gz DAMQDBCRNPSIFO-LMMKCTJWSA-N 2 1 284.447 3.038 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246882795 804578409 /nfs/dbraw/zinc/57/84/09/804578409.db2.gz NZQMWIDCNITMEY-HIFRSBDPSA-N 2 1 266.454 3.347 20 0 CGADMP c1ccc(C[C@@H]2C[C@@H]([NH+]3CC4CCC(CC4)C3)CC[NH2+]2)cc1 ZINC001246886215 804581419 /nfs/dbraw/zinc/58/14/19/804581419.db2.gz YKFUBIFOCGGDRP-TUNPWDSISA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(C[C@H]2C[C@H]([NH+]3CC4CCC(CC4)C3)CC[NH2+]2)cc1 ZINC001246886212 804581596 /nfs/dbraw/zinc/58/15/96/804581596.db2.gz YKFUBIFOCGGDRP-GHBBCFCZSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C2(CC2)C1 ZINC001246892873 804583276 /nfs/dbraw/zinc/58/32/76/804583276.db2.gz JOFVMVDQYYZAJF-JQHSSLGASA-N 2 1 284.447 3.224 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH+]2CC(C)(C)OC(C)(C)C2)CC[NH2+]1 ZINC001246895081 804584488 /nfs/dbraw/zinc/58/44/88/804584488.db2.gz PBRGXDDCIFPIAW-CABCVRRESA-N 2 1 282.472 3.187 20 0 CGADMP CCC[N@@H+]([C@@H](CC)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246894673 804584654 /nfs/dbraw/zinc/58/46/54/804584654.db2.gz PJCGESYAPNQSMP-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246899753 804586448 /nfs/dbraw/zinc/58/64/48/804586448.db2.gz FZHOBFRGJUDMPY-HNNXBMFYSA-N 2 1 278.827 3.304 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246909912 804592908 /nfs/dbraw/zinc/59/29/08/804592908.db2.gz SDSQEUDNOITEBF-DOTOQJQBSA-N 2 1 260.425 3.266 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccc2F)CC[NH2+]1 ZINC001246909723 804593050 /nfs/dbraw/zinc/59/30/50/804593050.db2.gz HQNOUZQCCNMZRL-RDJZCZTQSA-N 2 1 278.415 3.077 20 0 CGADMP C(C1CC1)[N@@H+](C1CC1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246911871 804594429 /nfs/dbraw/zinc/59/44/29/804594429.db2.gz JFBLVFWJKRDTHH-MRXNPFEDSA-N 2 1 262.441 3.316 20 0 CGADMP c1ccc(C[N@H+](C2CCSCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246911149 804594835 /nfs/dbraw/zinc/59/48/35/804594835.db2.gz OBXGFUCTWSGPSA-KRWDZBQOSA-N 2 1 290.476 3.136 20 0 CGADMP c1ccc(C[N@@H+](C2CCSCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246911149 804594837 /nfs/dbraw/zinc/59/48/37/804594837.db2.gz OBXGFUCTWSGPSA-KRWDZBQOSA-N 2 1 290.476 3.136 20 0 CGADMP C(C1CC1)[N@@H+](C1CC1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246911842 804595505 /nfs/dbraw/zinc/59/55/05/804595505.db2.gz JFBLVFWJKRDTHH-INIZCTEOSA-N 2 1 262.441 3.316 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246912823 804597677 /nfs/dbraw/zinc/59/76/77/804597677.db2.gz TWJZGWLHFACRKI-DOTOQJQBSA-N 2 1 292.442 3.467 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)CC[NH2+]1 ZINC001246915926 804598007 /nfs/dbraw/zinc/59/80/07/804598007.db2.gz ZHPHRXAHDRRLDD-GDBMZVCRSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCCC3(CCC3)C2)CC[NH2+]1 ZINC001246940026 804609956 /nfs/dbraw/zinc/60/99/56/804609956.db2.gz ICJVSNBRVXBTMH-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)C[C@@H](C)CC(C)C ZINC001246944765 804612436 /nfs/dbraw/zinc/61/24/36/804612436.db2.gz VIZCVUDZGYJDOP-HRCADAONSA-N 2 1 254.462 3.379 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CSc1ccc(F)cc1 ZINC001246942181 804612960 /nfs/dbraw/zinc/61/29/60/804612960.db2.gz NIRXKTCSAUXADG-ZIAGYGMSSA-N 2 1 296.455 3.238 20 0 CGADMP CCCC[C@@H](CC)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246951680 804616059 /nfs/dbraw/zinc/61/60/59/804616059.db2.gz WKPMJDVAPLTNOC-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC001246966627 804621129 /nfs/dbraw/zinc/62/11/29/804621129.db2.gz LGJGWCIMBWPIKZ-KDOFPFPSSA-N 2 1 272.436 3.408 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246972508 804622008 /nfs/dbraw/zinc/62/20/08/804622008.db2.gz JYQOYRBSRARPCD-UONOGXRCSA-N 2 1 284.513 3.371 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246972919 804622205 /nfs/dbraw/zinc/62/22/05/804622205.db2.gz GJGJMOGUINTHSQ-IMJJTQAJSA-N 2 1 252.446 3.405 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246972505 804622337 /nfs/dbraw/zinc/62/23/37/804622337.db2.gz JYQOYRBSRARPCD-KGLIPLIRSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC001246977994 804625515 /nfs/dbraw/zinc/62/55/15/804625515.db2.gz GTQXCROGIQCHIM-NZSAHSFTSA-N 2 1 286.463 3.472 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246978650 804626255 /nfs/dbraw/zinc/62/62/55/804626255.db2.gz ITKYIBILHJWXNN-HAGHYFMRSA-N 2 1 298.474 3.329 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247017016 804644826 /nfs/dbraw/zinc/64/48/26/804644826.db2.gz ZMHVCNKCSKATNR-FRFSOERESA-N 2 1 292.854 3.345 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1coc2ccc(F)cc12 ZINC001141856949 804675694 /nfs/dbraw/zinc/67/56/94/804675694.db2.gz XWSBQWHJAZSKPU-UHFFFAOYSA-N 2 1 278.371 3.346 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001165278523 806984859 /nfs/dbraw/zinc/98/48/59/806984859.db2.gz HIIFEXPVFCAKBC-YJBOKZPZSA-N 2 1 287.451 3.255 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143257439 804829723 /nfs/dbraw/zinc/82/97/23/804829723.db2.gz UQXAYJGHZSOTSK-GASCZTMLSA-N 2 1 280.362 3.008 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143257439 804829731 /nfs/dbraw/zinc/82/97/31/804829731.db2.gz UQXAYJGHZSOTSK-GASCZTMLSA-N 2 1 280.362 3.008 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143257439 804829740 /nfs/dbraw/zinc/82/97/40/804829740.db2.gz UQXAYJGHZSOTSK-GASCZTMLSA-N 2 1 280.362 3.008 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001143257439 804829749 /nfs/dbraw/zinc/82/97/49/804829749.db2.gz UQXAYJGHZSOTSK-GASCZTMLSA-N 2 1 280.362 3.008 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3onc(C)c3c2)CC1 ZINC001248702767 804970340 /nfs/dbraw/zinc/97/03/40/804970340.db2.gz OSUYHZPCBURSKL-UHFFFAOYSA-N 2 1 287.407 3.052 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3onc(C)c3c2)CC1 ZINC001248702767 804970347 /nfs/dbraw/zinc/97/03/47/804970347.db2.gz OSUYHZPCBURSKL-UHFFFAOYSA-N 2 1 287.407 3.052 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cc(C(C)(C)C)c[nH]3)C[C@H]2C1 ZINC001249480026 805159175 /nfs/dbraw/zinc/15/91/75/805159175.db2.gz CMYZEJPVRFKSAN-GASCZTMLSA-N 2 1 289.467 3.086 20 0 CGADMP C[C@]1(F)CCCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256855152 806992528 /nfs/dbraw/zinc/99/25/28/806992528.db2.gz FZABSLPDYKZESE-KRWDZBQOSA-N 2 1 291.414 3.265 20 0 CGADMP [NH3+][C@@H]1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC001256901733 807004027 /nfs/dbraw/zinc/00/40/27/807004027.db2.gz JOTVCHAISPFJHJ-SJLPKXTDSA-N 2 1 299.462 3.304 20 0 CGADMP [NH3+]Cc1ccc2cn([C@@H]3CCC[N@H+](C4CCCC4)C3)nc2c1 ZINC001256906172 807008185 /nfs/dbraw/zinc/00/81/85/807008185.db2.gz XOLGNQRXFODPPG-QGZVFWFLSA-N 2 1 298.434 3.075 20 0 CGADMP Cc1ncccc1[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257214167 807063084 /nfs/dbraw/zinc/06/30/84/807063084.db2.gz ZLGCPWCYPJDUAY-GOSISDBHSA-N 2 1 287.451 3.304 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001257221959 807065097 /nfs/dbraw/zinc/06/50/97/807065097.db2.gz NLKYOGDPWYQHFV-QGZVFWFLSA-N 2 1 258.409 3.306 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001257221959 807065103 /nfs/dbraw/zinc/06/51/03/807065103.db2.gz NLKYOGDPWYQHFV-QGZVFWFLSA-N 2 1 258.409 3.306 20 0 CGADMP CCC[C@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001257327079 807109578 /nfs/dbraw/zinc/10/95/78/807109578.db2.gz GLBPPEHZRGZRBW-AWEZNQCLSA-N 2 1 261.413 3.137 20 0 CGADMP CC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001257443837 807159457 /nfs/dbraw/zinc/15/94/57/807159457.db2.gz DMXWOOVGWALASG-HNNXBMFYSA-N 2 1 276.424 3.366 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001257470176 807172974 /nfs/dbraw/zinc/17/29/74/807172974.db2.gz GAIBQQBMZBSTPB-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP C[N@@H+](CC/C=C\c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001167477913 807196427 /nfs/dbraw/zinc/19/64/27/807196427.db2.gz IWKFCNJUTHMAMG-HJLMUGLJSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](CC/C=C\c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001167477913 807196430 /nfs/dbraw/zinc/19/64/30/807196430.db2.gz IWKFCNJUTHMAMG-HJLMUGLJSA-N 2 1 272.436 3.364 20 0 CGADMP C[NH+](CC/C=C\c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001167477913 807196432 /nfs/dbraw/zinc/19/64/32/807196432.db2.gz IWKFCNJUTHMAMG-HJLMUGLJSA-N 2 1 272.436 3.364 20 0 CGADMP CC(C)C[N@H+](C1CCC2(COC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257904658 807248952 /nfs/dbraw/zinc/24/89/52/807248952.db2.gz YLHILRCRZWUXRA-WKILWMFISA-N 2 1 294.483 3.174 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001167838163 807259404 /nfs/dbraw/zinc/25/94/04/807259404.db2.gz QYZFZPGNCDPGFV-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167893311 807268961 /nfs/dbraw/zinc/26/89/61/807268961.db2.gz FVBOIXITJYGMNX-YRXWBPOGSA-N 2 1 284.447 3.287 20 0 CGADMP F[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167960495 807285894 /nfs/dbraw/zinc/28/58/94/807285894.db2.gz ZMEPXZMBFGCCFV-DJSILETISA-N 2 1 280.431 3.262 20 0 CGADMP CC(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959550 807286845 /nfs/dbraw/zinc/28/68/45/807286845.db2.gz QVSJXPMPEUKKPT-OHRKKDJYSA-N 2 1 250.430 3.026 20 0 CGADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068884 807287376 /nfs/dbraw/zinc/28/73/76/807287376.db2.gz GGJCWEXSWUKHAM-XLAORIBOSA-N 2 1 296.499 3.100 20 0 CGADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068884 807287381 /nfs/dbraw/zinc/28/73/81/807287381.db2.gz GGJCWEXSWUKHAM-XLAORIBOSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068884 807287385 /nfs/dbraw/zinc/28/73/85/807287385.db2.gz GGJCWEXSWUKHAM-XLAORIBOSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068884 807287390 /nfs/dbraw/zinc/28/73/90/807287390.db2.gz GGJCWEXSWUKHAM-XLAORIBOSA-N 2 1 296.499 3.100 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168092171 807309459 /nfs/dbraw/zinc/30/94/59/807309459.db2.gz FKWBOLKMLFZKMS-YHUYYLMFSA-N 2 1 282.472 3.172 20 0 CGADMP CCC[N@H+](CC)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141012 807319836 /nfs/dbraw/zinc/31/98/36/807319836.db2.gz RFKKOASYHHOTMH-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP CCC[N@@H+](CC)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141012 807319846 /nfs/dbraw/zinc/31/98/46/807319846.db2.gz RFKKOASYHHOTMH-UHFFFAOYSA-N 2 1 274.452 3.425 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CCc2ccccc2)CC1 ZINC001168315907 807379865 /nfs/dbraw/zinc/37/98/65/807379865.db2.gz QKZXZNAOTPNUJI-UHFFFAOYSA-N 2 1 260.425 3.034 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CC2CCCCC2)CC1 ZINC001168327370 807384686 /nfs/dbraw/zinc/38/46/86/807384686.db2.gz KXVPKQRYOSPFJN-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCCCCCC3)C2)C1 ZINC001258244280 807386889 /nfs/dbraw/zinc/38/68/89/807386889.db2.gz VARODXJOFRCECW-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCCCCCC3)C2)C1 ZINC001258244280 807386897 /nfs/dbraw/zinc/38/68/97/807386897.db2.gz VARODXJOFRCECW-MRXNPFEDSA-N 2 1 250.430 3.127 20 0 CGADMP CC1(C)CCC[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C1 ZINC001258279592 807391770 /nfs/dbraw/zinc/39/17/70/807391770.db2.gz KTNRPVVEDXDPOP-INIZCTEOSA-N 2 1 287.451 3.300 20 0 CGADMP c1cc2c(s1)CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168368787 807398313 /nfs/dbraw/zinc/39/83/13/807398313.db2.gz PJVPMEPJALVZSE-HNNXBMFYSA-N 2 1 276.449 3.199 20 0 CGADMP Cc1ccccc1C[N@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168380276 807399379 /nfs/dbraw/zinc/39/93/79/807399379.db2.gz QXUFTHXIWPKPPW-UHFFFAOYSA-N 2 1 272.436 3.301 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCC(C)(C)C1 ZINC001258291006 807400161 /nfs/dbraw/zinc/40/01/61/807400161.db2.gz DPSNJQVBZXZJFH-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001258345771 807421866 /nfs/dbraw/zinc/42/18/66/807421866.db2.gz QGBPONUUMHFUEW-ZDUSSCGKSA-N 2 1 284.513 3.465 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168685989 807478575 /nfs/dbraw/zinc/47/85/75/807478575.db2.gz VAPMZDDEGBLQBE-HIFRSBDPSA-N 2 1 292.854 3.129 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC001258700792 807554887 /nfs/dbraw/zinc/55/48/87/807554887.db2.gz DCEWYNCEZDZSFD-GOSISDBHSA-N 2 1 274.452 3.472 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC001169078380 807567942 /nfs/dbraw/zinc/56/79/42/807567942.db2.gz DRGXJCFWWCTNMA-QKDCVEJESA-N 2 1 298.352 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC001169078380 807567947 /nfs/dbraw/zinc/56/79/47/807567947.db2.gz DRGXJCFWWCTNMA-QKDCVEJESA-N 2 1 298.352 3.420 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001169091848 807570972 /nfs/dbraw/zinc/57/09/72/807570972.db2.gz WFKQHTBCHDSZGG-QDMKHBRRSA-N 2 1 278.827 3.363 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169091162 807571169 /nfs/dbraw/zinc/57/11/69/807571169.db2.gz OMFONSJJTSVSHT-BJWYYQGGSA-N 2 1 288.435 3.190 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC001169099636 807575651 /nfs/dbraw/zinc/57/56/51/807575651.db2.gz CZQPWEGILSUYHN-QEOTZNIISA-N 2 1 290.838 3.411 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169099096 807576109 /nfs/dbraw/zinc/57/61/09/807576109.db2.gz NDXBELWPQBDHHO-MPESAESLSA-N 2 1 262.372 3.102 20 0 CGADMP COc1ccc(C(C)(C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099929 807576775 /nfs/dbraw/zinc/57/67/75/807576775.db2.gz WXAFVWJHUXUNMO-PHZGNYQRSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001169100336 807576905 /nfs/dbraw/zinc/57/69/05/807576905.db2.gz JJCQDYDHRLPMNA-LJIZCISZSA-N 2 1 264.457 3.416 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)nc1 ZINC001169120180 807583820 /nfs/dbraw/zinc/58/38/20/807583820.db2.gz ZEDKIPWBNGPLDO-DFGXFYAUSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccc([C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001169120180 807583824 /nfs/dbraw/zinc/58/38/24/807583824.db2.gz ZEDKIPWBNGPLDO-DFGXFYAUSA-N 2 1 285.435 3.056 20 0 CGADMP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169123848 807586066 /nfs/dbraw/zinc/58/60/66/807586066.db2.gz KVKIHOKUWBMKHH-GOEBONIOSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)C[C@H](Nc2cc(Cl)cc(N)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169142262 807588202 /nfs/dbraw/zinc/58/82/02/807588202.db2.gz MDXLNQBRTJCSRW-NHYWBVRUSA-N 2 1 296.846 3.273 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H]1c1cccnc1)C2 ZINC001169139982 807588372 /nfs/dbraw/zinc/58/83/72/807588372.db2.gz HAMQASNNXGPDKQ-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H]1c1cccnc1)C2 ZINC001169139982 807588375 /nfs/dbraw/zinc/58/83/75/807588375.db2.gz HAMQASNNXGPDKQ-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H]1c1cccnc1)C2 ZINC001169139982 807588377 /nfs/dbraw/zinc/58/83/77/807588377.db2.gz HAMQASNNXGPDKQ-MHORFTMASA-N 2 1 285.435 3.234 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169138836 807589001 /nfs/dbraw/zinc/58/90/01/807589001.db2.gz KCEZARXNBUQSIE-BJWYYQGGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169138836 807589007 /nfs/dbraw/zinc/58/90/07/807589007.db2.gz KCEZARXNBUQSIE-BJWYYQGGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169138836 807589013 /nfs/dbraw/zinc/58/90/13/807589013.db2.gz KCEZARXNBUQSIE-BJWYYQGGSA-N 2 1 258.409 3.052 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142597 807590526 /nfs/dbraw/zinc/59/05/26/807590526.db2.gz DJPIIIOCCAFHHS-MUJYYYPQSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142597 807590533 /nfs/dbraw/zinc/59/05/33/807590533.db2.gz DJPIIIOCCAFHHS-MUJYYYPQSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142597 807590534 /nfs/dbraw/zinc/59/05/34/807590534.db2.gz DJPIIIOCCAFHHS-MUJYYYPQSA-N 2 1 292.854 3.440 20 0 CGADMP CNc1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c[nH+]1 ZINC001169145352 807592496 /nfs/dbraw/zinc/59/24/96/807592496.db2.gz OVIMZMCAQMNMCU-CZUORRHYSA-N 2 1 276.428 3.079 20 0 CGADMP CCCC[C@H](CCC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258756783 807596464 /nfs/dbraw/zinc/59/64/64/807596464.db2.gz VLGWSPQYJFYTIY-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001169155186 807596717 /nfs/dbraw/zinc/59/67/17/807596717.db2.gz ZLNXIIUKWOBMSI-MTSZKFMLSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001169155186 807596721 /nfs/dbraw/zinc/59/67/21/807596721.db2.gz ZLNXIIUKWOBMSI-MTSZKFMLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001169155186 807596728 /nfs/dbraw/zinc/59/67/28/807596728.db2.gz ZLNXIIUKWOBMSI-MTSZKFMLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001169155186 807596734 /nfs/dbraw/zinc/59/67/34/807596734.db2.gz ZLNXIIUKWOBMSI-MTSZKFMLSA-N 2 1 262.441 3.124 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001258772117 807605334 /nfs/dbraw/zinc/60/53/34/807605334.db2.gz JELOVOIGVPZVCN-ZDUSSCGKSA-N 2 1 296.352 3.085 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001258772117 807605336 /nfs/dbraw/zinc/60/53/36/807605336.db2.gz JELOVOIGVPZVCN-ZDUSSCGKSA-N 2 1 296.352 3.085 20 0 CGADMP CCN1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169239994 807612332 /nfs/dbraw/zinc/61/23/32/807612332.db2.gz AIURLBYFWJPNGO-WKILWMFISA-N 2 1 295.515 3.089 20 0 CGADMP CC[NH+]1CCC([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169239994 807612336 /nfs/dbraw/zinc/61/23/36/807612336.db2.gz AIURLBYFWJPNGO-WKILWMFISA-N 3 1 295.515 3.089 20 0 CGADMP CC[NH+]1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169239994 807612340 /nfs/dbraw/zinc/61/23/40/807612340.db2.gz AIURLBYFWJPNGO-WKILWMFISA-N 3 1 295.515 3.089 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001169244239 807612531 /nfs/dbraw/zinc/61/25/31/807612531.db2.gz JEYBZRYGDGKHSJ-CVEARBPZSA-N 2 1 278.827 3.270 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2C)CC1 ZINC001169239300 807613178 /nfs/dbraw/zinc/61/31/78/807613178.db2.gz YAXTYTWURIPHEP-ZDUSSCGKSA-N 2 1 264.388 3.269 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001258811903 807629988 /nfs/dbraw/zinc/62/99/88/807629988.db2.gz ACBGJSPXTWZUKR-LSDHHAIUSA-N 3 1 283.504 3.040 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001258910967 807673838 /nfs/dbraw/zinc/67/38/38/807673838.db2.gz YASKSROYFFVDTQ-IAGOWNOFSA-N 2 1 282.472 3.142 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCC2(CC2)CC1 ZINC001169761678 807705138 /nfs/dbraw/zinc/70/51/38/807705138.db2.gz MGALRUSQBPGNBX-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001170118194 807764142 /nfs/dbraw/zinc/76/41/42/807764142.db2.gz QBAASAZZPPEYOS-UONOGXRCSA-N 2 1 276.399 3.264 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C1 ZINC001170138580 807772637 /nfs/dbraw/zinc/77/26/37/807772637.db2.gz QYVHQIROJUANGX-FPCVCCKLSA-N 2 1 290.476 3.300 20 0 CGADMP CC[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CCO1 ZINC001170191877 807790674 /nfs/dbraw/zinc/79/06/74/807790674.db2.gz BZJVSWYEBSDXGJ-SQNIBIBYSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CCO1 ZINC001170191877 807790677 /nfs/dbraw/zinc/79/06/77/807790677.db2.gz BZJVSWYEBSDXGJ-SQNIBIBYSA-N 2 1 294.483 3.188 20 0 CGADMP C[NH+]1C(C)(C)CC(Nc2cc(Cl)cc(N)[nH+]2)CC1(C)C ZINC001170453055 807845353 /nfs/dbraw/zinc/84/53/53/807845353.db2.gz HPBDAAXETYFYDD-UHFFFAOYSA-N 2 1 296.846 3.381 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)[C@H](C)C1 ZINC001170742092 807896804 /nfs/dbraw/zinc/89/68/04/807896804.db2.gz YJPSHTXZZNIGEL-DGXTUMSLSA-N 2 1 264.457 3.129 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCOCC1 ZINC001170800116 807908492 /nfs/dbraw/zinc/90/84/92/807908492.db2.gz UEAPVVSMTLDWLP-DJIMGWMZSA-N 2 1 282.472 3.316 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170956892 807946201 /nfs/dbraw/zinc/94/62/01/807946201.db2.gz IOAYVRSZTMKYNY-HOCLYGCPSA-N 2 1 290.426 3.005 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171032613 807966114 /nfs/dbraw/zinc/96/61/14/807966114.db2.gz HBXJXYWEZADIND-AWEZNQCLSA-N 2 1 280.843 3.081 20 0 CGADMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138438 807995722 /nfs/dbraw/zinc/99/57/22/807995722.db2.gz DKZFPZGKCVBBOG-NSHDSACASA-N 2 1 287.234 3.178 20 0 CGADMP Fc1cccc2c1CC[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001171439884 808059442 /nfs/dbraw/zinc/05/94/42/808059442.db2.gz FAEZDCHVASJZRN-HNNXBMFYSA-N 2 1 299.393 3.219 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3ccccc31)C2 ZINC001172100703 808172873 /nfs/dbraw/zinc/17/28/73/808172873.db2.gz ROUMNWSXAJLPMU-PNBKFKSVSA-N 2 1 286.419 3.115 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3ccccc31)C2 ZINC001172100703 808172875 /nfs/dbraw/zinc/17/28/75/808172875.db2.gz ROUMNWSXAJLPMU-PNBKFKSVSA-N 2 1 286.419 3.115 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(F)c1F)C2 ZINC001172103094 808174379 /nfs/dbraw/zinc/17/43/79/808174379.db2.gz RONMLKBCDGRMNJ-XYYAHUGASA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(F)c1F)C2 ZINC001172103094 808174384 /nfs/dbraw/zinc/17/43/84/808174384.db2.gz RONMLKBCDGRMNJ-XYYAHUGASA-N 2 1 298.352 3.209 20 0 CGADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001172104708 808175125 /nfs/dbraw/zinc/17/51/25/808175125.db2.gz CKVRVVREJLKEOW-LLLHUVSDSA-N 2 1 288.435 3.101 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1ccncc1)C2 ZINC001172110939 808179251 /nfs/dbraw/zinc/17/92/51/808179251.db2.gz MCIIBXVOYPTCGR-OSYLJGHBSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)Cc1ccncc1)C2 ZINC001172110939 808179254 /nfs/dbraw/zinc/17/92/54/808179254.db2.gz MCIIBXVOYPTCGR-OSYLJGHBSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1cccnc1)C2 ZINC001172112031 808179290 /nfs/dbraw/zinc/17/92/90/808179290.db2.gz ZMYXMUWQNYIGMK-BJWYYQGGSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc1cccnc1)C2 ZINC001172112031 808179292 /nfs/dbraw/zinc/17/92/92/808179292.db2.gz ZMYXMUWQNYIGMK-BJWYYQGGSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccnc3)CC1)C2 ZINC001172112655 808179297 /nfs/dbraw/zinc/17/92/97/808179297.db2.gz YSZOKHCFXCLSQC-BCDXTJNWSA-N 2 1 299.462 3.009 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3sccc31)C2 ZINC001172110036 808179304 /nfs/dbraw/zinc/17/93/04/808179304.db2.gz ITTSOTVQVVBEAT-QVHKTLOISA-N 2 1 276.449 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3sccc31)C2 ZINC001172110036 808179308 /nfs/dbraw/zinc/17/93/08/808179308.db2.gz ITTSOTVQVVBEAT-QVHKTLOISA-N 2 1 276.449 3.340 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C)(C)CC1)C2 ZINC001172122005 808182739 /nfs/dbraw/zinc/18/27/39/808182739.db2.gz OSRZNALCNMHEOE-QDMKHBRRSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C)(C)CC1)C2 ZINC001172122005 808182745 /nfs/dbraw/zinc/18/27/45/808182745.db2.gz OSRZNALCNMHEOE-QDMKHBRRSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3CCC(CC3)C1)C2 ZINC001172128820 808186813 /nfs/dbraw/zinc/18/68/13/808186813.db2.gz UPPBTGLMXHGWNS-BOXKHOIUSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3cc(F)ccc3C1)C2 ZINC001172123334 808187279 /nfs/dbraw/zinc/18/72/79/808187279.db2.gz CIJBQRIHWHJBHF-BCDXTJNWSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3cc(F)ccc3C1)C2 ZINC001172123334 808187283 /nfs/dbraw/zinc/18/72/83/808187283.db2.gz CIJBQRIHWHJBHF-BCDXTJNWSA-N 2 1 288.410 3.199 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3cc(F)ccc3C1)C2 ZINC001172123334 808187285 /nfs/dbraw/zinc/18/72/85/808187285.db2.gz CIJBQRIHWHJBHF-BCDXTJNWSA-N 2 1 288.410 3.199 20 0 CGADMP CCC[C@H]1CCCC[N@@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172255589 808209832 /nfs/dbraw/zinc/20/98/32/808209832.db2.gz WUPQVNZUMQSSDH-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172255589 808209838 /nfs/dbraw/zinc/20/98/38/808209838.db2.gz WUPQVNZUMQSSDH-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172314836 808225255 /nfs/dbraw/zinc/22/52/55/808225255.db2.gz FFVMKTQUYVFGJT-HOTGVXAUSA-N 2 1 272.477 3.292 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCO[C@@H](C)CC)C1 ZINC001172341321 808241438 /nfs/dbraw/zinc/24/14/38/808241438.db2.gz YVLUFHYEYKFODM-PMPSAXMXSA-N 2 1 284.488 3.433 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)CCO[C@@H](C)CC)C1 ZINC001172341321 808241439 /nfs/dbraw/zinc/24/14/39/808241439.db2.gz YVLUFHYEYKFODM-PMPSAXMXSA-N 2 1 284.488 3.433 20 0 CGADMP CCCCCC[C@@H](CCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172392485 808282997 /nfs/dbraw/zinc/28/29/97/808282997.db2.gz XUGIVEBQAGUWTE-HUUCEWRRSA-N 2 1 281.444 3.057 20 0 CGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172417983 808300737 /nfs/dbraw/zinc/30/07/37/808300737.db2.gz YMVLEMQVYZZFTL-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172417983 808300744 /nfs/dbraw/zinc/30/07/44/808300744.db2.gz YMVLEMQVYZZFTL-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172551052 808379109 /nfs/dbraw/zinc/37/91/09/808379109.db2.gz DMVGPKBCKKAPKL-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172551052 808379118 /nfs/dbraw/zinc/37/91/18/808379118.db2.gz DMVGPKBCKKAPKL-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172551052 808379127 /nfs/dbraw/zinc/37/91/27/808379127.db2.gz DMVGPKBCKKAPKL-YRXWBPOGSA-N 2 1 284.447 3.206 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172552067 808381882 /nfs/dbraw/zinc/38/18/82/808381882.db2.gz VXSWXUZSPDONEM-KURKYZTESA-N 2 1 272.436 3.397 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)CC2 ZINC001172834639 808451003 /nfs/dbraw/zinc/45/10/03/808451003.db2.gz HFWDLXHFZMJYSO-QYZOEREBSA-N 2 1 286.463 3.315 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173048672 808500068 /nfs/dbraw/zinc/50/00/68/808500068.db2.gz DSQXGAOMBALUSV-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)CC2CCC2)CC1 ZINC001173112228 808513732 /nfs/dbraw/zinc/51/37/32/808513732.db2.gz SZHVOFBUKGRUDG-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]2CF)CC1 ZINC001173117616 808515888 /nfs/dbraw/zinc/51/58/88/808515888.db2.gz PIJYKJPUKZEQEQ-YMAMQOFZSA-N 2 1 256.409 3.073 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173120076 808516448 /nfs/dbraw/zinc/51/64/48/808516448.db2.gz CISDYSWASLAHJA-IYBDPMFKSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173120076 808516452 /nfs/dbraw/zinc/51/64/52/808516452.db2.gz CISDYSWASLAHJA-IYBDPMFKSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173120076 808516456 /nfs/dbraw/zinc/51/64/56/808516456.db2.gz CISDYSWASLAHJA-IYBDPMFKSA-N 2 1 276.468 3.373 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](CCC[NH3+])C(C)C)cc1 ZINC001173239279 808547396 /nfs/dbraw/zinc/54/73/96/808547396.db2.gz PTKHVWSWOZNHAR-HNNXBMFYSA-N 2 1 262.441 3.239 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001173243505 808551510 /nfs/dbraw/zinc/55/15/10/808551510.db2.gz OMVQNHHVNOTYIG-INIZCTEOSA-N 2 1 288.479 3.454 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173344265 808622758 /nfs/dbraw/zinc/62/27/58/808622758.db2.gz UHJJQTKIUTWMDL-IXDOHACOSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173344265 808622763 /nfs/dbraw/zinc/62/27/63/808622763.db2.gz UHJJQTKIUTWMDL-IXDOHACOSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173344265 808622767 /nfs/dbraw/zinc/62/27/67/808622767.db2.gz UHJJQTKIUTWMDL-IXDOHACOSA-N 2 1 276.468 3.373 20 0 CGADMP Cn1c[nH+]c2cccc(Nc3ccccc3C[NH+](C)C)c21 ZINC001173930619 808769365 /nfs/dbraw/zinc/76/93/65/808769365.db2.gz KJLWGIRAXRUWEG-UHFFFAOYSA-N 2 1 280.375 3.379 20 0 CGADMP c1ccc2c(Nc3c[nH+]ccc3N3CCCC3)cc[nH+]c2c1 ZINC001174037820 808835705 /nfs/dbraw/zinc/83/57/05/808835705.db2.gz DWEANUXZJWTOQD-UHFFFAOYSA-N 2 1 290.370 3.396 20 0 CGADMP Cc1c(O)cccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275026864 808899045 /nfs/dbraw/zinc/89/90/45/808899045.db2.gz CBWSTNRIBVADAX-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1c(O)cccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275026864 808899052 /nfs/dbraw/zinc/89/90/52/808899052.db2.gz CBWSTNRIBVADAX-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP Cc1c(O)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275026864 808899058 /nfs/dbraw/zinc/89/90/58/808899058.db2.gz CBWSTNRIBVADAX-GOSISDBHSA-N 2 1 288.435 3.008 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CC=CCC3)C2)C1 ZINC001275040630 808900328 /nfs/dbraw/zinc/90/03/28/808900328.db2.gz OYQFLKJWUJJLRL-IAGOWNOFSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001275040630 808900331 /nfs/dbraw/zinc/90/03/31/808900331.db2.gz OYQFLKJWUJJLRL-IAGOWNOFSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC001275040630 808900336 /nfs/dbraw/zinc/90/03/36/808900336.db2.gz OYQFLKJWUJJLRL-IAGOWNOFSA-N 2 1 262.441 3.151 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCc3ccccc3)C2)C1 ZINC001275089163 808905749 /nfs/dbraw/zinc/90/57/49/808905749.db2.gz SKXVJPOLTCUFJY-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001275089163 808905754 /nfs/dbraw/zinc/90/57/54/808905754.db2.gz SKXVJPOLTCUFJY-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001275089163 808905761 /nfs/dbraw/zinc/90/57/61/808905761.db2.gz SKXVJPOLTCUFJY-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C(C1CCC1)[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275181919 808919949 /nfs/dbraw/zinc/91/99/49/808919949.db2.gz DBRPBMNOJXLLER-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP C(C1CCC1)[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275181919 808919956 /nfs/dbraw/zinc/91/99/56/808919956.db2.gz DBRPBMNOJXLLER-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)s1 ZINC001275861355 808972701 /nfs/dbraw/zinc/97/27/01/808972701.db2.gz PGXTWHJNLRAKQR-INIZCTEOSA-N 2 1 278.465 3.364 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc3ccccc13)C2 ZINC001276124761 808989813 /nfs/dbraw/zinc/98/98/13/808989813.db2.gz IKPJUPGWWBSZGE-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc3ccccc13)C2 ZINC001276124761 808989816 /nfs/dbraw/zinc/98/98/16/808989816.db2.gz IKPJUPGWWBSZGE-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1coc3ccccc13)C2 ZINC001276124761 808989819 /nfs/dbraw/zinc/98/98/19/808989819.db2.gz IKPJUPGWWBSZGE-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1coc3ccccc13)C2 ZINC001276124761 808989823 /nfs/dbraw/zinc/98/98/23/808989823.db2.gz IKPJUPGWWBSZGE-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC001276161781 808991023 /nfs/dbraw/zinc/99/10/23/808991023.db2.gz RWGHWBZTFDEBGS-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(F)c3F)(C1)CCC2 ZINC001276372221 809004711 /nfs/dbraw/zinc/00/47/11/809004711.db2.gz KAZDSLNMCYBDCQ-JKSUJKDBSA-N 2 1 298.352 3.258 20 0 CGADMP Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)ccc(F)c1F ZINC001276845650 809037471 /nfs/dbraw/zinc/03/74/71/809037471.db2.gz LIMCWWZYHOMBJL-GASCZTMLSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc(F)c1F ZINC001276845650 809037479 /nfs/dbraw/zinc/03/74/79/809037479.db2.gz LIMCWWZYHOMBJL-GASCZTMLSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc(F)c1F ZINC001276845650 809037486 /nfs/dbraw/zinc/03/74/86/809037486.db2.gz LIMCWWZYHOMBJL-GASCZTMLSA-N 2 1 294.389 3.047 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1C ZINC001276887839 809042047 /nfs/dbraw/zinc/04/20/47/809042047.db2.gz PUFYWHXEHSPGPF-MQVJKMGUSA-N 2 1 278.827 3.363 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1C ZINC001276887839 809042054 /nfs/dbraw/zinc/04/20/54/809042054.db2.gz PUFYWHXEHSPGPF-MQVJKMGUSA-N 2 1 278.827 3.363 20 0 CGADMP FC(F)(F)CCCN1CC[C@]2(C1)CCC[N@H+](C1CC1)C2 ZINC001277921716 809104722 /nfs/dbraw/zinc/10/47/22/809104722.db2.gz FUBDIHTXWVLJRA-AWEZNQCLSA-N 2 1 290.373 3.279 20 0 CGADMP FC(F)(F)CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C1CC1)C2 ZINC001277921716 809104724 /nfs/dbraw/zinc/10/47/24/809104724.db2.gz FUBDIHTXWVLJRA-AWEZNQCLSA-N 2 1 290.373 3.279 20 0 CGADMP FC(F)(F)CCC[N@H+]1CC[C@]2(C1)CCC[NH+](C1CC1)C2 ZINC001277921716 809104727 /nfs/dbraw/zinc/10/47/27/809104727.db2.gz FUBDIHTXWVLJRA-AWEZNQCLSA-N 2 1 290.373 3.279 20 0 CGADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1 ZINC001175445099 809409613 /nfs/dbraw/zinc/40/96/13/809409613.db2.gz VNRUBGKGVPEWFA-SJLPKXTDSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC001175445099 809409619 /nfs/dbraw/zinc/40/96/19/809409619.db2.gz VNRUBGKGVPEWFA-SJLPKXTDSA-N 2 1 272.436 3.138 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC001175445099 809409622 /nfs/dbraw/zinc/40/96/22/809409622.db2.gz VNRUBGKGVPEWFA-SJLPKXTDSA-N 2 1 272.436 3.138 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008506 809774300 /nfs/dbraw/zinc/77/43/00/809774300.db2.gz LDPAIZXKFFCWOC-KURKYZTESA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177008506 809774304 /nfs/dbraw/zinc/77/43/04/809774304.db2.gz LDPAIZXKFFCWOC-KURKYZTESA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177008506 809774306 /nfs/dbraw/zinc/77/43/06/809774306.db2.gz LDPAIZXKFFCWOC-KURKYZTESA-N 2 1 278.484 3.476 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC001179816702 809948395 /nfs/dbraw/zinc/94/83/95/809948395.db2.gz MVIMZWAKKMAYPT-SCRDCRAPSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC001179816702 809948400 /nfs/dbraw/zinc/94/84/00/809948400.db2.gz MVIMZWAKKMAYPT-SCRDCRAPSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(CC4CCC4)c3)[C@@H]2C1 ZINC001179817923 809948502 /nfs/dbraw/zinc/94/85/02/809948502.db2.gz SJFUIPGSQVUKHU-ZCNNSNEGSA-N 2 1 298.474 3.459 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC001179931486 809959483 /nfs/dbraw/zinc/95/94/83/809959483.db2.gz LUDFKIGTFLBKSY-MRXNPFEDSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC001180238797 809985866 /nfs/dbraw/zinc/98/58/66/809985866.db2.gz BTANTIUASNRODI-AWEZNQCLSA-N 2 1 290.426 3.477 20 0 CGADMP C[C@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)c1ccccn1 ZINC001183498542 810150601 /nfs/dbraw/zinc/15/06/01/810150601.db2.gz GKEYFKDLIBUKRW-YJBOKZPZSA-N 2 1 292.386 3.370 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3CCCCCC3)CC[C@H]21 ZINC001197033780 811392152 /nfs/dbraw/zinc/39/21/52/811392152.db2.gz YDQPAUUSBAPRPJ-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCC3CCCCCC3)CC[C@H]21 ZINC001197033780 811392163 /nfs/dbraw/zinc/39/21/63/811392163.db2.gz YDQPAUUSBAPRPJ-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CCCCCC3)CC[C@H]21 ZINC001197033780 811392169 /nfs/dbraw/zinc/39/21/69/811392169.db2.gz YDQPAUUSBAPRPJ-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CCCCCC3)CC[C@H]21 ZINC001197033780 811392180 /nfs/dbraw/zinc/39/21/80/811392180.db2.gz YDQPAUUSBAPRPJ-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C[C@@H]1CCO[C@H](CC)C1)[NH+](C)C ZINC001199170176 811562548 /nfs/dbraw/zinc/56/25/48/811562548.db2.gz BYBIUGHSQJBZMP-OIISXLGYSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001199275788 811568075 /nfs/dbraw/zinc/56/80/75/811568075.db2.gz NBCDYQPOJHCASP-WBVHZDCISA-N 2 1 274.452 3.390 20 0 CGADMP CCCC1CCC(C[NH2+]CCn2cc[nH+]c2C)CC1 ZINC001199874468 811602825 /nfs/dbraw/zinc/60/28/25/811602825.db2.gz JDISUAOPCZNCBV-UHFFFAOYSA-N 2 1 263.429 3.388 20 0 CGADMP CCc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001200257403 811655890 /nfs/dbraw/zinc/65/58/90/811655890.db2.gz YUHIXUIKGDJPAK-INIZCTEOSA-N 2 1 274.452 3.459 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001200838488 811752657 /nfs/dbraw/zinc/75/26/57/811752657.db2.gz SBZBOIOBXJOUPA-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001200838488 811752662 /nfs/dbraw/zinc/75/26/62/811752662.db2.gz SBZBOIOBXJOUPA-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001200863855 811758624 /nfs/dbraw/zinc/75/86/24/811758624.db2.gz MORNVVVPFLFDCB-ZWKOTPCHSA-N 2 1 296.499 3.293 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001200863855 811758629 /nfs/dbraw/zinc/75/86/29/811758629.db2.gz MORNVVVPFLFDCB-ZWKOTPCHSA-N 2 1 296.499 3.293 20 0 CGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001201400429 811830247 /nfs/dbraw/zinc/83/02/47/811830247.db2.gz QLXXAMVFMOZXDA-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C)Cc1cccc(Nc2ccc3c(c2)C[N@H+](C)CC3)c1 ZINC001201403682 811831263 /nfs/dbraw/zinc/83/12/63/811831263.db2.gz QROWBJKJRVWNJU-UHFFFAOYSA-N 2 1 295.430 3.480 20 0 CGADMP CC(C)C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001201482024 811858578 /nfs/dbraw/zinc/85/85/78/811858578.db2.gz BFMWGGVWHQKRQZ-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001201495575 811864684 /nfs/dbraw/zinc/86/46/84/811864684.db2.gz DXQOYANOMBUWNN-IRXDYDNUSA-N 2 1 264.457 3.397 20 0 CGADMP CC(C)=CCC[C@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001201495575 811864699 /nfs/dbraw/zinc/86/46/99/811864699.db2.gz DXQOYANOMBUWNN-IRXDYDNUSA-N 2 1 264.457 3.397 20 0 CGADMP CC(C)=CCC[C@H](C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001201495575 811864704 /nfs/dbraw/zinc/86/47/04/811864704.db2.gz DXQOYANOMBUWNN-IRXDYDNUSA-N 2 1 264.457 3.397 20 0 CGADMP CSCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201696212 811939160 /nfs/dbraw/zinc/93/91/60/811939160.db2.gz HNSQMDNHDHTVSU-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP CSCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201696212 811939170 /nfs/dbraw/zinc/93/91/70/811939170.db2.gz HNSQMDNHDHTVSU-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP CSCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201696212 811939176 /nfs/dbraw/zinc/93/91/76/811939176.db2.gz HNSQMDNHDHTVSU-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001202065857 812008260 /nfs/dbraw/zinc/00/82/60/812008260.db2.gz WUFSOHJRZHIYME-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001202065857 812008270 /nfs/dbraw/zinc/00/82/70/812008270.db2.gz WUFSOHJRZHIYME-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001202065857 812008276 /nfs/dbraw/zinc/00/82/76/812008276.db2.gz WUFSOHJRZHIYME-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001202065857 812008285 /nfs/dbraw/zinc/00/82/85/812008285.db2.gz WUFSOHJRZHIYME-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001202656054 812147323 /nfs/dbraw/zinc/14/73/23/812147323.db2.gz QRWNDEUMHXPBGP-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001202656054 812147326 /nfs/dbraw/zinc/14/73/26/812147326.db2.gz QRWNDEUMHXPBGP-CAOSSQGBSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]CC(C(C)C)C(C)C ZINC001203033451 812221726 /nfs/dbraw/zinc/22/17/26/812221726.db2.gz YXZJKKSZDYSSHY-UHFFFAOYSA-N 2 1 256.478 3.482 20 0 CGADMP C[N@H+](Cc1ccc[nH]1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204010697 812518379 /nfs/dbraw/zinc/51/83/79/812518379.db2.gz NBASKXHPQMTJLS-UHFFFAOYSA-N 2 1 275.440 3.244 20 0 CGADMP C[N@@H+](Cc1ccc[nH]1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204010697 812518384 /nfs/dbraw/zinc/51/83/84/812518384.db2.gz NBASKXHPQMTJLS-UHFFFAOYSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001204174956 812566745 /nfs/dbraw/zinc/56/67/45/812566745.db2.gz IAIRHUNRUOYVCR-UHFFFAOYSA-N 2 1 272.436 3.445 20 0 CGADMP CC[N@@H+](CC1CC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC001204598527 812685386 /nfs/dbraw/zinc/68/53/86/812685386.db2.gz JRUYIEAGRYXHDD-UHFFFAOYSA-N 2 1 264.457 3.421 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001204727900 812719274 /nfs/dbraw/zinc/71/92/74/812719274.db2.gz VJBXXMCGTHZHPB-DLBZAZTESA-N 2 1 276.468 3.444 20 0 CGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)s1 ZINC001204735228 812719719 /nfs/dbraw/zinc/71/97/19/812719719.db2.gz PABHCIBPLAQOAR-UHFFFAOYSA-N 2 1 278.465 3.331 20 0 CGADMP Clc1csc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742250 812723892 /nfs/dbraw/zinc/72/38/92/812723892.db2.gz LFSZUIGVRUHOOG-UHFFFAOYSA-N 2 1 284.856 3.367 20 0 CGADMP C[C@]1([NH3+])CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001204763485 812729112 /nfs/dbraw/zinc/72/91/12/812729112.db2.gz MDQSUVZSNYLFGE-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP C[C@]1([NH3+])CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001204763485 812729114 /nfs/dbraw/zinc/72/91/14/812729114.db2.gz MDQSUVZSNYLFGE-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204938485 812787132 /nfs/dbraw/zinc/78/71/32/812787132.db2.gz LXDGWNRFPQGVBB-GOSISDBHSA-N 2 1 268.404 3.461 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H](C)c2ccc(C)o2)C1 ZINC001205001151 812819533 /nfs/dbraw/zinc/81/95/33/812819533.db2.gz ONWXYMFOJDGVQM-ZFWWWQNUSA-N 2 1 264.413 3.013 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001205009255 812823633 /nfs/dbraw/zinc/82/36/33/812823633.db2.gz LEEGEVYQSPYCOS-SFHVURJKSA-N 2 1 274.452 3.331 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205016269 812826559 /nfs/dbraw/zinc/82/65/59/812826559.db2.gz HTUZQOFQGJLNRA-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205016235 812826597 /nfs/dbraw/zinc/82/65/97/812826597.db2.gz HIGICKNMZSAESC-OAHLLOKOSA-N 2 1 268.404 3.223 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC001205018878 812828716 /nfs/dbraw/zinc/82/87/16/812828716.db2.gz ZOQSHLKNQYAUIP-GOSISDBHSA-N 2 1 274.452 3.461 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001205064227 812843626 /nfs/dbraw/zinc/84/36/26/812843626.db2.gz KUPDXCFERZDVDQ-BBRMVZONSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001205064227 812843634 /nfs/dbraw/zinc/84/36/34/812843634.db2.gz KUPDXCFERZDVDQ-BBRMVZONSA-N 2 1 260.425 3.296 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001205077612 812849843 /nfs/dbraw/zinc/84/98/43/812849843.db2.gz PURBBJJQDZETAL-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001205102415 812866409 /nfs/dbraw/zinc/86/64/09/812866409.db2.gz RRPUWIHBZKKOOQ-KRWDZBQOSA-N 2 1 281.403 3.062 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205110325 812870491 /nfs/dbraw/zinc/87/04/91/812870491.db2.gz SGRQDTUQXXOHCF-CYBMUJFWSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205110325 812870498 /nfs/dbraw/zinc/87/04/98/812870498.db2.gz SGRQDTUQXXOHCF-CYBMUJFWSA-N 2 1 286.341 3.327 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205274539 812926216 /nfs/dbraw/zinc/92/62/16/812926216.db2.gz XLRFFPSSKBNHSY-INIZCTEOSA-N 2 1 296.842 3.442 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205274539 812926218 /nfs/dbraw/zinc/92/62/18/812926218.db2.gz XLRFFPSSKBNHSY-INIZCTEOSA-N 2 1 296.842 3.442 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288025 812932103 /nfs/dbraw/zinc/93/21/03/812932103.db2.gz FSJIUOONJPZHSK-QGZVFWFLSA-N 2 1 294.414 3.318 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288025 812932108 /nfs/dbraw/zinc/93/21/08/812932108.db2.gz FSJIUOONJPZHSK-QGZVFWFLSA-N 2 1 294.414 3.318 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC001205304351 812942166 /nfs/dbraw/zinc/94/21/66/812942166.db2.gz OATJGLOZCNYJEY-YJBOKZPZSA-N 2 1 295.430 3.165 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C[C@H]1C[NH3+] ZINC001205303568 812942244 /nfs/dbraw/zinc/94/22/44/812942244.db2.gz IAWXEUUWLGHXCM-DGCLKSJQSA-N 2 1 291.826 3.238 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc21 ZINC001205303625 812942671 /nfs/dbraw/zinc/94/26/71/812942671.db2.gz ISYKQICAVKUDSE-WMLDXEAASA-N 2 1 285.435 3.078 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205306323 812943050 /nfs/dbraw/zinc/94/30/50/812943050.db2.gz VJVSUMKUFPVLKY-RDJZCZTQSA-N 2 1 290.451 3.199 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205306556 812944163 /nfs/dbraw/zinc/94/41/63/812944163.db2.gz XFLDIXVUAGLHPL-YJBOKZPZSA-N 2 1 295.430 3.165 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205324918 812954692 /nfs/dbraw/zinc/95/46/92/812954692.db2.gz HWOHHBZSXNDQJN-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205324918 812954696 /nfs/dbraw/zinc/95/46/96/812954696.db2.gz HWOHHBZSXNDQJN-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001205545590 812998976 /nfs/dbraw/zinc/99/89/76/812998976.db2.gz JRJIYIGCAZFAKH-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC001205546626 813000388 /nfs/dbraw/zinc/00/03/88/813000388.db2.gz XIQXJXGQYAPFAL-MRXNPFEDSA-N 2 1 298.833 3.426 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205560010 813003737 /nfs/dbraw/zinc/00/37/37/813003737.db2.gz YFEAPFRPRDPEMR-KRWDZBQOSA-N 2 1 294.414 3.047 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001205591322 813014463 /nfs/dbraw/zinc/01/44/63/813014463.db2.gz KKTARIRNEOQSBA-KRWDZBQOSA-N 2 1 294.389 3.356 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(C)c1 ZINC001205603576 813018930 /nfs/dbraw/zinc/01/89/30/813018930.db2.gz QMWDVYNJYMGJAR-GOEBONIOSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)CC[C@@H]1C[NH3+] ZINC001205603332 813019265 /nfs/dbraw/zinc/01/92/65/813019265.db2.gz ODJFMNCTNQQBIV-GHMZBOCLSA-N 2 1 272.845 3.208 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(C)c1C ZINC001205605367 813021888 /nfs/dbraw/zinc/02/18/88/813021888.db2.gz ZZKQKJQAEHLSAO-CZUORRHYSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205616588 813027086 /nfs/dbraw/zinc/02/70/86/813027086.db2.gz GJCDLWAKGRDBBW-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618289 813027969 /nfs/dbraw/zinc/02/79/69/813027969.db2.gz UGCICMGNKIKXRI-TZMCWYRMSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC[C@@H]1C[NH3+] ZINC001205627491 813031578 /nfs/dbraw/zinc/03/15/78/813031578.db2.gz PYTXNSZNQBMJGZ-SJLPKXTDSA-N 2 1 297.446 3.284 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)CC[C@H]1C[NH3+] ZINC001205637720 813035899 /nfs/dbraw/zinc/03/58/99/813035899.db2.gz IIALYGLWDJETRP-QWRGUYRKSA-N 2 1 272.845 3.208 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccsc2Cl)CC[C@H]1C[NH3+] ZINC001205638830 813037782 /nfs/dbraw/zinc/03/77/82/813037782.db2.gz SHYILGMECFXDQI-QWRGUYRKSA-N 2 1 272.845 3.208 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001205693736 813053083 /nfs/dbraw/zinc/05/30/83/813053083.db2.gz YVLXEGNKFXKDSQ-QZTJIDSGSA-N 2 1 274.452 3.454 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCCCc2ccccc2)CCC1(F)F ZINC001205761731 813069033 /nfs/dbraw/zinc/06/90/33/813069033.db2.gz JFLRYNBWRUDXME-INIZCTEOSA-N 2 1 296.405 3.315 20 0 CGADMP Cc1cccc2c(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205802983 813082915 /nfs/dbraw/zinc/08/29/15/813082915.db2.gz DRFNUVHVFNEHLF-DOMZBBRYSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1cccc2c(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205802983 813082926 /nfs/dbraw/zinc/08/29/26/813082926.db2.gz DRFNUVHVFNEHLF-DOMZBBRYSA-N 2 1 271.408 3.036 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205802312 813083051 /nfs/dbraw/zinc/08/30/51/813083051.db2.gz BKZNWONRLXFEPB-RHSMWYFYSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205802312 813083063 /nfs/dbraw/zinc/08/30/63/813083063.db2.gz BKZNWONRLXFEPB-RHSMWYFYSA-N 2 1 260.425 3.369 20 0 CGADMP CCn1ccc2c1cccc2CN1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205817452 813094032 /nfs/dbraw/zinc/09/40/32/813094032.db2.gz QNLRMDSSWIFWMC-GOEBONIOSA-N 2 1 285.435 3.220 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205817452 813094039 /nfs/dbraw/zinc/09/40/39/813094039.db2.gz QNLRMDSSWIFWMC-GOEBONIOSA-N 2 1 285.435 3.220 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205817452 813094047 /nfs/dbraw/zinc/09/40/47/813094047.db2.gz QNLRMDSSWIFWMC-GOEBONIOSA-N 2 1 285.435 3.220 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1C ZINC001205830017 813099653 /nfs/dbraw/zinc/09/96/53/813099653.db2.gz QRJMKFVIKIHTIS-SJCJKPOMSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1C ZINC001205830017 813099660 /nfs/dbraw/zinc/09/96/60/813099660.db2.gz QRJMKFVIKIHTIS-SJCJKPOMSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cnccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001205862680 813113124 /nfs/dbraw/zinc/11/31/24/813113124.db2.gz LVKRSELSXTYSMY-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cnccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001205862680 813113129 /nfs/dbraw/zinc/11/31/29/813113129.db2.gz LVKRSELSXTYSMY-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cnccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001205862680 813113132 /nfs/dbraw/zinc/11/31/32/813113132.db2.gz LVKRSELSXTYSMY-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c2ccccc12 ZINC001205868462 813114388 /nfs/dbraw/zinc/11/43/88/813114388.db2.gz DREALVSDFJZVDC-KDOFPFPSSA-N 2 1 268.404 3.317 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c2ccccc12 ZINC001205868462 813114391 /nfs/dbraw/zinc/11/43/91/813114391.db2.gz DREALVSDFJZVDC-KDOFPFPSSA-N 2 1 268.404 3.317 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCc1ccccc1 ZINC001205901706 813122248 /nfs/dbraw/zinc/12/22/48/813122248.db2.gz FNCUKTJYYOKAKY-RDJZCZTQSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2cccnc2)cc1 ZINC001205901979 813124264 /nfs/dbraw/zinc/12/42/64/813124264.db2.gz GPJXJNNASRLRKQ-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1csc2ccccc12 ZINC001205901968 813125112 /nfs/dbraw/zinc/12/51/12/813125112.db2.gz GNFQWYOUSRNUEY-OLZOCXBDSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205903045 813125192 /nfs/dbraw/zinc/12/51/92/813125192.db2.gz NERWUYBWYQRZID-KGLIPLIRSA-N 2 1 271.408 3.036 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)ccc2c1 ZINC001205904850 813128452 /nfs/dbraw/zinc/12/84/52/813128452.db2.gz XESOHJMSXKTPQJ-KSSFIOAISA-N 2 1 298.430 3.408 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912770 813129854 /nfs/dbraw/zinc/12/98/54/813129854.db2.gz CDKUTEUBTKNVTG-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccc(Cl)cc2[nH]1 ZINC001205914547 813131700 /nfs/dbraw/zinc/13/17/00/813131700.db2.gz MWCCISPUKZPIDF-AAEUAGOBSA-N 2 1 291.826 3.381 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205916146 813132653 /nfs/dbraw/zinc/13/26/53/813132653.db2.gz SAGYNLYWYUYIKX-YJBOKZPZSA-N 2 1 274.452 3.444 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205916099 813133095 /nfs/dbraw/zinc/13/30/95/813133095.db2.gz RTDOJPXYWJTNPA-WMLDXEAASA-N 2 1 260.425 3.369 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC001205981025 813151319 /nfs/dbraw/zinc/15/13/19/813151319.db2.gz BBCZAFBEZWYMJO-SJORKVTESA-N 2 1 274.452 3.419 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205992071 813154643 /nfs/dbraw/zinc/15/46/43/813154643.db2.gz DFYYXWWILUYKNE-HZPDHXFCSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)CCC[C@@H]1C[NH3+] ZINC001205993590 813155141 /nfs/dbraw/zinc/15/51/41/813155141.db2.gz IDUNTILFOZMJAX-QWHCGFSZSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205993095 813155511 /nfs/dbraw/zinc/15/55/11/813155511.db2.gz GXLQGDPXUYLIOJ-DGCLKSJQSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCC[C@@H]1C[NH3+] ZINC001205994673 813156459 /nfs/dbraw/zinc/15/64/59/813156459.db2.gz LSWRHKJSAZOMRJ-WMLDXEAASA-N 2 1 283.419 3.042 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c21 ZINC001206004019 813160693 /nfs/dbraw/zinc/16/06/93/813160693.db2.gz OZAGCBQNCOBTHF-GJZGRUSLSA-N 2 1 285.435 3.283 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC001206003606 813160846 /nfs/dbraw/zinc/16/08/46/813160846.db2.gz KFDDWHPNPLLGAN-NEPJUHHUSA-N 2 1 284.494 3.277 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206004751 813160955 /nfs/dbraw/zinc/16/09/55/813160955.db2.gz UXZBSNZLDNQVKG-CVEARBPZSA-N 2 1 299.462 3.468 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3cn2)CCC[C@H]1C[NH3+] ZINC001206005023 813162276 /nfs/dbraw/zinc/16/22/76/813162276.db2.gz WIRPEOGVSCMUBP-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206013540 813165549 /nfs/dbraw/zinc/16/55/49/813165549.db2.gz RZXOBAJPKQZXQZ-YPMHNXCESA-N 2 1 282.378 3.080 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206024115 813168754 /nfs/dbraw/zinc/16/87/54/813168754.db2.gz HVIPBHOIIPUOPG-KBPBESRZSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(O)cc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206024373 813168997 /nfs/dbraw/zinc/16/89/97/813168997.db2.gz JBPKTZSTGVTCKD-GDBMZVCRSA-N 2 1 298.430 3.352 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(O)cc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206024375 813169521 /nfs/dbraw/zinc/16/95/21/813169521.db2.gz JBPKTZSTGVTCKD-HOCLYGCPSA-N 2 1 298.430 3.352 20 0 CGADMP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206036543 813176139 /nfs/dbraw/zinc/17/61/39/813176139.db2.gz KTAIVPMMHBPWGZ-HOTGVXAUSA-N 2 1 290.451 3.119 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001206048914 813180845 /nfs/dbraw/zinc/18/08/45/813180845.db2.gz AINMEVYZKDQUFG-UHFFFAOYSA-N 2 1 284.378 3.103 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCc2cccc(Cl)c2)CC[C@@H]1F ZINC001206155875 813216889 /nfs/dbraw/zinc/21/68/89/813216889.db2.gz MWBFMPITNSVSLN-GJZGRUSLSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCc2cccc(Cl)c2)CC[C@@H]1F ZINC001206155875 813216890 /nfs/dbraw/zinc/21/68/90/813216890.db2.gz MWBFMPITNSVSLN-GJZGRUSLSA-N 2 1 284.806 3.034 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccnc2)CC[C@@H]1F ZINC001206174591 813226033 /nfs/dbraw/zinc/22/60/33/813226033.db2.gz OHTVTRVLTFVUDX-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccnc2)CC[C@@H]1F ZINC001206174591 813226034 /nfs/dbraw/zinc/22/60/34/813226034.db2.gz OHTVTRVLTFVUDX-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1F ZINC001206184284 813230785 /nfs/dbraw/zinc/23/07/85/813230785.db2.gz IDVLZCIKNQVVRO-JKSUJKDBSA-N 2 1 288.366 3.208 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)CC[C@@H]1F ZINC001206200978 813238267 /nfs/dbraw/zinc/23/82/67/813238267.db2.gz UWDDJFQSBQQPSL-IRXDYDNUSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC[C@@H]1F ZINC001206200978 813238271 /nfs/dbraw/zinc/23/82/71/813238271.db2.gz UWDDJFQSBQQPSL-IRXDYDNUSA-N 2 1 299.393 3.010 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206210660 813241245 /nfs/dbraw/zinc/24/12/45/813241245.db2.gz LCYUXXFRNPAJMS-DLBZAZTESA-N 2 1 294.414 3.043 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC001206246850 813253690 /nfs/dbraw/zinc/25/36/90/813253690.db2.gz AVBZWENBOPYIAY-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC001206246850 813253697 /nfs/dbraw/zinc/25/36/97/813253697.db2.gz AVBZWENBOPYIAY-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001206277281 813269161 /nfs/dbraw/zinc/26/91/61/813269161.db2.gz QMXBHTCGBXLARQ-HNNXBMFYSA-N 2 1 292.426 3.299 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001206277281 813269166 /nfs/dbraw/zinc/26/91/66/813269166.db2.gz QMXBHTCGBXLARQ-HNNXBMFYSA-N 2 1 292.426 3.299 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295835 813276872 /nfs/dbraw/zinc/27/68/72/813276872.db2.gz NZSKLFYRZBJENQ-KRWDZBQOSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001206304161 813280222 /nfs/dbraw/zinc/28/02/22/813280222.db2.gz GQAIKDHHFRSPRK-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206304728 813281739 /nfs/dbraw/zinc/28/17/39/813281739.db2.gz OSLBRCBZECSKLK-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305425 813281749 /nfs/dbraw/zinc/28/17/49/813281749.db2.gz ZDUDJLKOKBXEEH-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC001206305192 813282195 /nfs/dbraw/zinc/28/21/95/813282195.db2.gz VTFYCDRBHISPLS-QGZVFWFLSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)ccc(F)c2F)CC1 ZINC001206305383 813282351 /nfs/dbraw/zinc/28/23/51/813282351.db2.gz YEKPNWHHJLJPQU-HNNXBMFYSA-N 2 1 286.341 3.055 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2coc3ccccc23)CC1 ZINC001206311881 813284590 /nfs/dbraw/zinc/28/45/90/813284590.db2.gz WKIQQOSXJOCLBB-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ncsc3c2)CC1 ZINC001206317805 813287476 /nfs/dbraw/zinc/28/74/76/813287476.db2.gz ISVUTMCLTRZVAN-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001206336714 813294200 /nfs/dbraw/zinc/29/42/00/813294200.db2.gz NQBRDGYAZQCCIH-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)c21 ZINC001206352087 813300531 /nfs/dbraw/zinc/30/05/31/813300531.db2.gz NWDKKAOMQHCOKO-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)c21 ZINC001206352087 813300540 /nfs/dbraw/zinc/30/05/40/813300540.db2.gz NWDKKAOMQHCOKO-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206372331 813306600 /nfs/dbraw/zinc/30/66/00/813306600.db2.gz ZWWPNLHWUCFCAU-QGZVFWFLSA-N 2 1 278.415 3.210 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1C ZINC001206541004 813343514 /nfs/dbraw/zinc/34/35/14/813343514.db2.gz FEBYBAMIQIQSAV-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541387 813344109 /nfs/dbraw/zinc/34/41/09/813344109.db2.gz GYRKHNYDKRCVBF-SJLPKXTDSA-N 2 1 298.515 3.405 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC001206542059 813344148 /nfs/dbraw/zinc/34/41/48/813344148.db2.gz QGWJQGYZYHUGOU-RDJZCZTQSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)s1 ZINC001206541404 813345071 /nfs/dbraw/zinc/34/50/71/813345071.db2.gz HFGIDQMEAXQGKB-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206554513 813350368 /nfs/dbraw/zinc/35/03/68/813350368.db2.gz DJZSZPRKVHMWDN-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001206563308 813354343 /nfs/dbraw/zinc/35/43/43/813354343.db2.gz BUIBVXYEJPCCDU-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001206563458 813354664 /nfs/dbraw/zinc/35/46/64/813354664.db2.gz DAQZZHATKFEYHU-INIZCTEOSA-N 2 1 289.448 3.247 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206572092 813358052 /nfs/dbraw/zinc/35/80/52/813358052.db2.gz AQVIPECUWBXUGU-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP CC(C)[N@@H+](CC1Cc2ccccc2C1)[C@H]1CCC[NH2+]CC1 ZINC001206583378 813363824 /nfs/dbraw/zinc/36/38/24/813363824.db2.gz UFDSQRZCMSRLBW-IBGZPJMESA-N 2 1 286.463 3.254 20 0 CGADMP COc1ccc(F)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206588528 813366096 /nfs/dbraw/zinc/36/60/96/813366096.db2.gz AMMCDBPXVVOZGP-MRXNPFEDSA-N 2 1 294.414 3.187 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001206617038 813376206 /nfs/dbraw/zinc/37/62/06/813376206.db2.gz YPKZVPLXWBDPKI-LBPRGKRZSA-N 2 1 291.826 3.382 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206617014 813376613 /nfs/dbraw/zinc/37/66/13/813376613.db2.gz XTNQKJDCEFYVFX-QGZVFWFLSA-N 2 1 290.451 3.426 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001206641524 813384536 /nfs/dbraw/zinc/38/45/36/813384536.db2.gz YMUIBRQBVGMFPY-CQSZACIVSA-N 2 1 284.403 3.106 20 0 CGADMP CC(C)Oc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1F ZINC001206646866 813385004 /nfs/dbraw/zinc/38/50/04/813385004.db2.gz DVUMSLQZQIEAGM-HNNXBMFYSA-N 2 1 294.414 3.174 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cc[nH+]c(N2CCCC2)c1 ZINC001206729664 813410027 /nfs/dbraw/zinc/41/00/27/813410027.db2.gz OZAMDNUELSJNMC-UHFFFAOYSA-N 2 1 297.406 3.195 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCC(C)(C)c1ccccc1 ZINC001206761471 813427938 /nfs/dbraw/zinc/42/79/38/813427938.db2.gz ZAYDPCXHSVSRTQ-HZPDHXFCSA-N 2 1 274.452 3.414 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cccc2)cc1 ZINC001206769016 813431846 /nfs/dbraw/zinc/43/18/46/813431846.db2.gz MJFFHPCJANXHFV-RDJZCZTQSA-N 2 1 283.419 3.037 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)s1 ZINC001206769681 813431948 /nfs/dbraw/zinc/43/19/48/813431948.db2.gz PGCXDHSPFOICCQ-CHWSQXEVSA-N 2 1 266.454 3.260 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206769241 813432660 /nfs/dbraw/zinc/43/26/60/813432660.db2.gz NNPYUOUDYJXUIY-OCCSQVGLSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206769241 813432663 /nfs/dbraw/zinc/43/26/63/813432663.db2.gz NNPYUOUDYJXUIY-OCCSQVGLSA-N 2 1 296.842 3.298 20 0 CGADMP COc1cccc([C@@H]2CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)c1 ZINC001207287792 813536452 /nfs/dbraw/zinc/53/64/52/813536452.db2.gz FKNCEOZODHEMRK-MRXNPFEDSA-N 2 1 290.451 3.072 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001207285358 813537002 /nfs/dbraw/zinc/53/70/02/813537002.db2.gz HUJGQDUOIVCFDE-MRXNPFEDSA-N 2 1 260.425 3.411 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001207398426 813556790 /nfs/dbraw/zinc/55/67/90/813556790.db2.gz OMWYQQKUECHNPA-KRWDZBQOSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001207485558 813573139 /nfs/dbraw/zinc/57/31/39/813573139.db2.gz WIXVISJRWZDDTH-LJQANCHMSA-N 2 1 286.463 3.283 20 0 CGADMP C[N@H+](CCc1cccc(F)c1)CCC1CC[NH+](C)CC1 ZINC001207487897 813574306 /nfs/dbraw/zinc/57/43/06/813574306.db2.gz XTPVWFDRXXDLKP-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](CCCC3CCCCC3)C[C@H]21 ZINC001207609348 813613692 /nfs/dbraw/zinc/61/36/92/813613692.db2.gz WCVOEFDGKDPCOM-DLBZAZTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC001208115756 813696654 /nfs/dbraw/zinc/69/66/54/813696654.db2.gz MOONSMDHFQMMEU-QGZVFWFLSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C)CC1(C[NH+]2CC(c3ccccc3)C2)CCCC1 ZINC001208185642 813735212 /nfs/dbraw/zinc/73/52/12/813735212.db2.gz HCTXNNUNGDIMMJ-UHFFFAOYSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H](CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1)CC(C)(C)C ZINC001208662672 813784525 /nfs/dbraw/zinc/78/45/25/813784525.db2.gz CWHAVMSTCVSVAC-BFYDXBDKSA-N 2 1 266.473 3.332 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCC1CC1 ZINC001208688083 813797019 /nfs/dbraw/zinc/79/70/19/813797019.db2.gz KBLNXFHAJWQRAL-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP F[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208945924 813905464 /nfs/dbraw/zinc/90/54/64/813905464.db2.gz FPMXWXZDUWCNDT-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208945924 813905471 /nfs/dbraw/zinc/90/54/71/813905471.db2.gz FPMXWXZDUWCNDT-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208945924 813905478 /nfs/dbraw/zinc/90/54/78/813905478.db2.gz FPMXWXZDUWCNDT-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208955235 813909614 /nfs/dbraw/zinc/90/96/14/813909614.db2.gz YXKWMWPFFAOYEL-ZIFCJYIRSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@@H]1C[C@H](C)C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208955235 813909617 /nfs/dbraw/zinc/90/96/17/813909617.db2.gz YXKWMWPFFAOYEL-ZIFCJYIRSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@@H]1C[C@H](C)C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208955235 813909627 /nfs/dbraw/zinc/90/96/27/813909627.db2.gz YXKWMWPFFAOYEL-ZIFCJYIRSA-N 2 1 286.463 3.486 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001209405690 814015679 /nfs/dbraw/zinc/01/56/79/814015679.db2.gz YVLNNCNUQHWAME-HOTGVXAUSA-N 2 1 296.499 3.386 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209422846 814023958 /nfs/dbraw/zinc/02/39/58/814023958.db2.gz YUINEPFXBXHUJL-CRAIPNDOSA-N 2 1 284.447 3.165 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209422846 814023962 /nfs/dbraw/zinc/02/39/62/814023962.db2.gz YUINEPFXBXHUJL-CRAIPNDOSA-N 2 1 284.447 3.165 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209429206 814030439 /nfs/dbraw/zinc/03/04/39/814030439.db2.gz VRXPEAFUEATVII-LSDHHAIUSA-N 2 1 264.457 3.371 20 0 CGADMP FC1(F)CC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209449339 814047990 /nfs/dbraw/zinc/04/79/90/814047990.db2.gz GGDFEVIZYJNZCV-UHFFFAOYSA-N 2 1 286.410 3.374 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cnccc1N ZINC001209727944 814122295 /nfs/dbraw/zinc/12/22/95/814122295.db2.gz AOMWEBXLDUVPSJ-QGZVFWFLSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209727944 814122297 /nfs/dbraw/zinc/12/22/97/814122297.db2.gz AOMWEBXLDUVPSJ-QGZVFWFLSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209727944 814122298 /nfs/dbraw/zinc/12/22/98/814122298.db2.gz AOMWEBXLDUVPSJ-QGZVFWFLSA-N 2 1 267.376 3.140 20 0 CGADMP c1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c2c([nH+]1)NCC2 ZINC001242696040 823103513 /nfs/dbraw/zinc/10/35/13/823103513.db2.gz GICJKVZXAYIVMB-CQSZACIVSA-N 2 1 269.392 3.081 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c2ccccc12 ZINC001210474224 814477986 /nfs/dbraw/zinc/47/79/86/814477986.db2.gz DZPJUQSRGVDNBW-HNNXBMFYSA-N 2 1 268.404 3.332 20 0 CGADMP Cc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c2ccccc12 ZINC001210474224 814477987 /nfs/dbraw/zinc/47/79/87/814477987.db2.gz DZPJUQSRGVDNBW-HNNXBMFYSA-N 2 1 268.404 3.332 20 0 CGADMP C[NH2+]Cc1ccc(Nc2ccc3c(c2)C[N@H+](C)CC3)cc1 ZINC001211135628 814758774 /nfs/dbraw/zinc/75/87/74/814758774.db2.gz YDCJVEXBQOBANC-UHFFFAOYSA-N 2 1 281.403 3.138 20 0 CGADMP CC(C)C[C@@H](C)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218223477 816131846 /nfs/dbraw/zinc/13/18/46/816131846.db2.gz HZXOBOJBUCOIHD-OAHLLOKOSA-N 2 1 290.451 3.423 20 0 CGADMP CC[C@H](C)[C@H](C)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218317499 816165348 /nfs/dbraw/zinc/16/53/48/816165348.db2.gz NRYIVHVKYXCDNV-GJZGRUSLSA-N 2 1 290.451 3.423 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC001222149011 816359444 /nfs/dbraw/zinc/35/94/44/816359444.db2.gz UXFSLVOEDJMDIG-IBGZPJMESA-N 2 1 296.414 3.121 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148440 816359495 /nfs/dbraw/zinc/35/94/95/816359495.db2.gz OWXCERWMMFRRMS-SFHVURJKSA-N 2 1 272.436 3.386 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc21 ZINC001222148674 816360079 /nfs/dbraw/zinc/36/00/79/816360079.db2.gz PQDZWHVCKSUNQC-LJQANCHMSA-N 2 1 297.446 3.237 20 0 CGADMP CCCCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154297 816363003 /nfs/dbraw/zinc/36/30/03/816363003.db2.gz JRFWPQKPYQUUBS-MRXNPFEDSA-N 2 1 252.446 3.422 20 0 CGADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2cccccc1-2 ZINC001222154423 816363164 /nfs/dbraw/zinc/36/31/64/816363164.db2.gz LODQRUKKEJBIDF-IBGZPJMESA-N 2 1 280.415 3.367 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC001222154759 816363458 /nfs/dbraw/zinc/36/34/58/816363458.db2.gz QINCCLOZCSHCRE-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155146 816363530 /nfs/dbraw/zinc/36/35/30/816363530.db2.gz WONYIKDDKPQDRV-ZSYWTGECSA-N 2 1 288.479 3.444 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222307765 816403583 /nfs/dbraw/zinc/40/35/83/816403583.db2.gz BFIHJMLLNLHJHI-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@]12CCC[NH2+]CC2)c1ccccc1 ZINC001222308357 816403884 /nfs/dbraw/zinc/40/38/84/816403884.db2.gz IYFNRPGHNZSSFF-AEFFLSMTSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1 ZINC001222315229 816406214 /nfs/dbraw/zinc/40/62/14/816406214.db2.gz LISKLODSYBLQBD-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP Oc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222315922 816407569 /nfs/dbraw/zinc/40/75/69/816407569.db2.gz QZTIRLSHXOAXJD-INIZCTEOSA-N 2 1 294.826 3.154 20 0 CGADMP Oc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222315922 816407574 /nfs/dbraw/zinc/40/75/74/816407574.db2.gz QZTIRLSHXOAXJD-INIZCTEOSA-N 2 1 294.826 3.154 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344836 816413815 /nfs/dbraw/zinc/41/38/15/816413815.db2.gz DOWQPMMWMYKLBA-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP C(C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)C1CCCC1 ZINC001222385162 816425657 /nfs/dbraw/zinc/42/56/57/816425657.db2.gz GXHWPYGKUHBCTF-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222464871 816450309 /nfs/dbraw/zinc/45/03/09/816450309.db2.gz GMAGFZZBUDGZDB-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222464871 816450311 /nfs/dbraw/zinc/45/03/11/816450311.db2.gz GMAGFZZBUDGZDB-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+]Cc1ccc(-c2ccc3c(c2)CC[N@H+](C)C3)cc1 ZINC001242992767 823201519 /nfs/dbraw/zinc/20/15/19/823201519.db2.gz UTQDLXLOHZBAAK-UHFFFAOYSA-N 2 1 266.388 3.061 20 0 CGADMP Cc1ccsc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595724 816474128 /nfs/dbraw/zinc/47/41/28/816474128.db2.gz HRUQXAHCWULMCP-MRXNPFEDSA-N 2 1 298.455 3.246 20 0 CGADMP CCCCCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596101 816475325 /nfs/dbraw/zinc/47/53/25/816475325.db2.gz PWGQACMUUXUXRK-QGZVFWFLSA-N 2 1 272.436 3.256 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623172 816480860 /nfs/dbraw/zinc/48/08/60/816480860.db2.gz DKCWNMJYHIFSTK-IYBDPMFKSA-N 2 1 297.446 3.093 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620443 816481050 /nfs/dbraw/zinc/48/10/50/816481050.db2.gz SFLUBWLJHUOCJE-DOTOQJQBSA-N 2 1 288.435 3.048 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC001222629218 816483494 /nfs/dbraw/zinc/48/34/94/816483494.db2.gz FAFSNJJQYWNFAX-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001231789953 818176593 /nfs/dbraw/zinc/17/65/93/818176593.db2.gz MUQQXRAOWHFZMO-RTBURBONSA-N 2 1 286.463 3.411 20 0 CGADMP c1coc(C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C2CC2)c1 ZINC001232017489 818235978 /nfs/dbraw/zinc/23/59/78/818235978.db2.gz SKBRIXDJGAKBGI-UHFFFAOYSA-N 2 1 267.332 3.321 20 0 CGADMP c1coc(C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C2CC2)c1 ZINC001232017489 818235987 /nfs/dbraw/zinc/23/59/87/818235987.db2.gz SKBRIXDJGAKBGI-UHFFFAOYSA-N 2 1 267.332 3.321 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2N)CC1 ZINC001232513007 818376352 /nfs/dbraw/zinc/37/63/52/818376352.db2.gz KCDZNWCUROKGGJ-UHFFFAOYSA-N 2 1 293.430 3.104 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2N)CC1 ZINC001232513007 818376356 /nfs/dbraw/zinc/37/63/56/818376356.db2.gz KCDZNWCUROKGGJ-UHFFFAOYSA-N 2 1 293.430 3.104 20 0 CGADMP Clc1ccccc1CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234990428 818969721 /nfs/dbraw/zinc/96/97/21/818969721.db2.gz DEADLHTZBKAHMG-QGZVFWFLSA-N 2 1 292.854 3.348 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234990428 818969729 /nfs/dbraw/zinc/96/97/29/818969729.db2.gz DEADLHTZBKAHMG-QGZVFWFLSA-N 2 1 292.854 3.348 20 0 CGADMP c1ccc(CCCCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234993024 818970019 /nfs/dbraw/zinc/97/00/19/818970019.db2.gz OEQISIZUCLXKHC-IBGZPJMESA-N 2 1 286.463 3.475 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001234991992 818970448 /nfs/dbraw/zinc/97/04/48/818970448.db2.gz ICMGSSYYHVHHBZ-YESZJQIVSA-N 2 1 262.441 3.054 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234993406 818972609 /nfs/dbraw/zinc/97/26/09/818972609.db2.gz NNLNTWIORKELMM-SJORKVTESA-N 2 1 264.457 3.444 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235034465 818984835 /nfs/dbraw/zinc/98/48/35/818984835.db2.gz YYIFWHRSHAMVGC-SFHVURJKSA-N 2 1 284.378 3.164 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)o1 ZINC001235034357 818985002 /nfs/dbraw/zinc/98/50/02/818985002.db2.gz WXXYKRCFDUUSCJ-IBGZPJMESA-N 2 1 296.414 3.440 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041813 818988758 /nfs/dbraw/zinc/98/87/58/818988758.db2.gz SZHDLCPASDYTKK-QGZUEGPWSA-N 2 1 250.430 3.341 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CCC23CC[NH2+]CC3)s1 ZINC001235101823 819003016 /nfs/dbraw/zinc/00/30/16/819003016.db2.gz GPCCRSVRJGJWGS-UHFFFAOYSA-N 2 1 278.465 3.419 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC23CC[NH2+]CC3)s1 ZINC001235101823 819003019 /nfs/dbraw/zinc/00/30/19/819003019.db2.gz GPCCRSVRJGJWGS-UHFFFAOYSA-N 2 1 278.465 3.419 20 0 CGADMP C[C@@H](CC[N@H+]1CCC12CC[NH2+]CC2)CC(C)(C)C ZINC001235103037 819003024 /nfs/dbraw/zinc/00/30/24/819003024.db2.gz QGVAZVOYPCXBTB-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(C)c1 ZINC001235140204 819015748 /nfs/dbraw/zinc/01/57/48/819015748.db2.gz GLFLIKXXERDDJB-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001235186109 819027551 /nfs/dbraw/zinc/02/75/51/819027551.db2.gz CONQCSZDNAIMLY-NXHRZFHOSA-N 2 1 294.442 3.485 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235239249 819044563 /nfs/dbraw/zinc/04/45/63/819044563.db2.gz GHBDZMNCQPERTL-LZLYRXPVSA-N 2 1 296.499 3.421 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235246521 819046648 /nfs/dbraw/zinc/04/66/48/819046648.db2.gz YQNXYQBTXJHNEE-NVXWUHKLSA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235246521 819046653 /nfs/dbraw/zinc/04/66/53/819046653.db2.gz YQNXYQBTXJHNEE-NVXWUHKLSA-N 2 1 258.409 3.123 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001235241365 819046969 /nfs/dbraw/zinc/04/69/69/819046969.db2.gz SOVVRWAKJKOELT-HUUCEWRRSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001235241365 819046972 /nfs/dbraw/zinc/04/69/72/819046972.db2.gz SOVVRWAKJKOELT-HUUCEWRRSA-N 2 1 298.352 3.061 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235253092 819050215 /nfs/dbraw/zinc/05/02/15/819050215.db2.gz BUTFXASKGCYJIJ-MYIWKSEUSA-N 2 1 250.430 3.197 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235263234 819058418 /nfs/dbraw/zinc/05/84/18/819058418.db2.gz SYVJUCPBJBTTAZ-JGPFYOFESA-N 2 1 250.430 3.197 20 0 CGADMP Fc1cccc2c(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cccc12 ZINC001235271758 819060119 /nfs/dbraw/zinc/06/01/19/819060119.db2.gz OUJOQFZDIBKTQI-RDTXWAMCSA-N 2 1 284.378 3.163 20 0 CGADMP Fc1cccc2c(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cccc12 ZINC001235271758 819060126 /nfs/dbraw/zinc/06/01/26/819060126.db2.gz OUJOQFZDIBKTQI-RDTXWAMCSA-N 2 1 284.378 3.163 20 0 CGADMP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1 ZINC001235284530 819060587 /nfs/dbraw/zinc/06/05/87/819060587.db2.gz LLGAZWQDGBIXSR-OPVJXMOQSA-N 2 1 292.426 3.359 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)cc2)cc1 ZINC001235282590 819061498 /nfs/dbraw/zinc/06/14/98/819061498.db2.gz BKRGWQDZJXTAAW-REPLKXPHSA-N 2 1 278.399 3.051 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)s1 ZINC001235341610 819072402 /nfs/dbraw/zinc/07/24/02/819072402.db2.gz RMYWIPUQGOGHFH-CYBMUJFWSA-N 2 1 278.465 3.132 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)o1 ZINC001235403617 819086063 /nfs/dbraw/zinc/08/60/63/819086063.db2.gz LJUFWLFFFDICGS-XYPHTWIQSA-N 2 1 294.414 3.105 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235403730 819086657 /nfs/dbraw/zinc/08/66/57/819086657.db2.gz LGPCBQZXGJXYIF-ROUUACIJSA-N 2 1 290.426 3.334 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235403730 819086662 /nfs/dbraw/zinc/08/66/62/819086662.db2.gz LGPCBQZXGJXYIF-ROUUACIJSA-N 2 1 290.426 3.334 20 0 CGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407692 819088200 /nfs/dbraw/zinc/08/82/00/819088200.db2.gz SWRBFEGFCRDPPA-RBUKOAKNSA-N 2 1 298.405 3.363 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407695 819088540 /nfs/dbraw/zinc/08/85/40/819088540.db2.gz SWRBFEGFCRDPPA-RTBURBONSA-N 2 1 298.405 3.363 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC001235424071 819092303 /nfs/dbraw/zinc/09/23/03/819092303.db2.gz JLFOIJUOOWCULC-JKSUJKDBSA-N 2 1 297.446 3.380 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC001235426193 819092655 /nfs/dbraw/zinc/09/26/55/819092655.db2.gz NVHMBGYZHDXHAL-HZPDHXFCSA-N 2 1 276.424 3.108 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235423489 819092669 /nfs/dbraw/zinc/09/26/69/819092669.db2.gz GUGQUFJXRMVHNW-HZPDHXFCSA-N 2 1 252.446 3.134 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428628 819094286 /nfs/dbraw/zinc/09/42/86/819094286.db2.gz OQULXRVFDIMFKY-MJGOQNOKSA-N 2 1 286.463 3.461 20 0 CGADMP Cc1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1Cl ZINC001235433309 819095970 /nfs/dbraw/zinc/09/59/70/819095970.db2.gz SLAWDKRDYRWQMB-UHFFFAOYSA-N 2 1 266.816 3.080 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC001235433595 819096195 /nfs/dbraw/zinc/09/61/95/819096195.db2.gz HDPCMMBKWYDKMR-RDJZCZTQSA-N 2 1 292.854 3.375 20 0 CGADMP CCCC[N@@H+](CCC)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235663781 819131511 /nfs/dbraw/zinc/13/15/11/819131511.db2.gz UKFJCWGUKKLXFT-UHFFFAOYSA-N 2 1 289.467 3.108 20 0 CGADMP [NH3+]CCCC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713341 819148500 /nfs/dbraw/zinc/14/85/00/819148500.db2.gz XMRBAQWMWIUCGJ-ZDUSSCGKSA-N 2 1 286.341 3.234 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1coc2ccccc12 ZINC001235717339 819150086 /nfs/dbraw/zinc/15/00/86/819150086.db2.gz RKBWNNBPURPXLG-UHFFFAOYSA-N 2 1 272.392 3.254 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+](C)CCC3CC[NH2+]CC3)c2c1 ZINC001235715747 819150670 /nfs/dbraw/zinc/15/06/70/819150670.db2.gz VBNAUPABDYRUFI-UHFFFAOYSA-N 2 1 285.435 3.298 20 0 CGADMP CC[N@@H+](C[C@@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235762220 819161517 /nfs/dbraw/zinc/16/15/17/819161517.db2.gz XDQVXJMKSMUMJP-HNNXBMFYSA-N 2 1 252.446 3.443 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC001235762983 819163305 /nfs/dbraw/zinc/16/33/05/819163305.db2.gz YSUNAXMIJQNKIJ-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP C[Si](C)(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235824869 819176756 /nfs/dbraw/zinc/17/67/56/819176756.db2.gz CPQFLJJKIJLYPH-QGZVFWFLSA-N 2 1 290.527 3.366 20 0 CGADMP C[N@@H+](CC(c1ccccc1)c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001235841386 819183673 /nfs/dbraw/zinc/18/36/73/819183673.db2.gz FEOZQXVSBSCZJG-KRWDZBQOSA-N 2 1 294.442 3.360 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]3CCC[C@H]31)CC[NH2+]C2 ZINC001235894189 819204314 /nfs/dbraw/zinc/20/43/14/819204314.db2.gz VHLIXJHSBSTTMI-CRAIPNDOSA-N 2 1 270.420 3.097 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2CC[NH3+])c1Cl ZINC001235925216 819222904 /nfs/dbraw/zinc/22/29/04/819222904.db2.gz FSNJRASJKGAAOB-ZDUSSCGKSA-N 2 1 270.779 3.101 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@H]2CC[NH3+])c1Cl ZINC001235925216 819222909 /nfs/dbraw/zinc/22/29/09/819222909.db2.gz FSNJRASJKGAAOB-ZDUSSCGKSA-N 2 1 270.779 3.101 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1Br ZINC001235925546 819225422 /nfs/dbraw/zinc/22/54/22/819225422.db2.gz UMYLNXVGTMXUDP-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1Br ZINC001235925546 819225425 /nfs/dbraw/zinc/22/54/25/819225425.db2.gz UMYLNXVGTMXUDP-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235930980 819228771 /nfs/dbraw/zinc/22/87/71/819228771.db2.gz YXULMHMRTZLMDH-BBWFWOEESA-N 2 1 264.457 3.300 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)c1 ZINC001235934248 819230657 /nfs/dbraw/zinc/23/06/57/819230657.db2.gz KTFBMOLYMVPBNF-KRWDZBQOSA-N 2 1 296.389 3.418 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235937604 819232548 /nfs/dbraw/zinc/23/25/48/819232548.db2.gz JERWBVHWMKPFHB-IAGOWNOFSA-N 2 1 280.415 3.190 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)c1C ZINC001235939536 819234106 /nfs/dbraw/zinc/23/41/06/819234106.db2.gz PUBVDONAPTUDCS-ZWKOTPCHSA-N 2 1 286.463 3.270 20 0 CGADMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1C(F)(F)F ZINC001235941610 819234211 /nfs/dbraw/zinc/23/42/11/819234211.db2.gz WEIMWQPNRKOXFN-UONOGXRCSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1C(F)(F)F ZINC001235941610 819234219 /nfs/dbraw/zinc/23/42/19/819234219.db2.gz WEIMWQPNRKOXFN-UONOGXRCSA-N 2 1 298.352 3.055 20 0 CGADMP COCC[N@@H+](Cc1ccccc1C(C)C)C1CC[NH2+]CC1 ZINC001235942351 819234721 /nfs/dbraw/zinc/23/47/21/819234721.db2.gz COKYNYVEUZNNBM-UHFFFAOYSA-N 2 1 290.451 3.010 20 0 CGADMP CC(C)c1ccc(CC[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001235950682 819242187 /nfs/dbraw/zinc/24/21/87/819242187.db2.gz LQBOBRYNPVTMQB-QGZVFWFLSA-N 2 1 274.452 3.284 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959196 819247331 /nfs/dbraw/zinc/24/73/31/819247331.db2.gz HNMNDVGQSBALNO-FVCICTRLSA-N 2 1 286.444 3.379 20 0 CGADMP Cc1csc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236013067 819275603 /nfs/dbraw/zinc/27/56/03/819275603.db2.gz UVKNYZCXBVCDOJ-AEFFLSMTSA-N 2 1 298.455 3.030 20 0 CGADMP C[C@H]1C[C@H]([NH3+])C[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236044980 819281952 /nfs/dbraw/zinc/28/19/52/819281952.db2.gz QVGUGYXDLJKLSG-WMZOPIPTSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236044980 819281958 /nfs/dbraw/zinc/28/19/58/819281958.db2.gz QVGUGYXDLJKLSG-WMZOPIPTSA-N 2 1 290.451 3.043 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C1 ZINC001236066453 819298143 /nfs/dbraw/zinc/29/81/43/819298143.db2.gz JEIZUNWNZUUONJ-HOTGVXAUSA-N 2 1 284.488 3.149 20 0 CGADMP CC[N@@H+](Cc1cccs1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236088758 819309654 /nfs/dbraw/zinc/30/96/54/819309654.db2.gz IYGCNZOALOXPDD-UHFFFAOYSA-N 2 1 286.444 3.416 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(C)c1C ZINC001236092682 819311195 /nfs/dbraw/zinc/31/11/95/819311195.db2.gz AFZDRSJQAKOVOV-QGHHPUGFSA-N 2 1 260.425 3.008 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(C)c1C ZINC001236092682 819311198 /nfs/dbraw/zinc/31/11/98/819311198.db2.gz AFZDRSJQAKOVOV-QGHHPUGFSA-N 2 1 260.425 3.008 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c(F)c1 ZINC001236124936 819332714 /nfs/dbraw/zinc/33/27/14/819332714.db2.gz SJCHZYQWOAKPDJ-KRWDZBQOSA-N 2 1 294.389 3.491 20 0 CGADMP CCC[N@@H+](Cc1cn(C)c2ccccc12)C1CC[NH2+]CC1 ZINC001236180151 819358401 /nfs/dbraw/zinc/35/84/01/819358401.db2.gz BMOROINPHZYNKC-UHFFFAOYSA-N 2 1 285.435 3.142 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC(C)=C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236180211 819358720 /nfs/dbraw/zinc/35/87/20/819358720.db2.gz CPBKUUXMRHJQMX-JKSUJKDBSA-N 2 1 264.457 3.443 20 0 CGADMP C[N@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211810 819374388 /nfs/dbraw/zinc/37/43/88/819374388.db2.gz JJSKJNIZDKCORF-HUUCEWRRSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211810 819374396 /nfs/dbraw/zinc/37/43/96/819374396.db2.gz JJSKJNIZDKCORF-HUUCEWRRSA-N 2 1 275.371 3.009 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(F)cc2F)CC1 ZINC001236214881 819378203 /nfs/dbraw/zinc/37/82/03/819378203.db2.gz JKXBBIMMTDXQRU-UHFFFAOYSA-N 2 1 282.378 3.236 20 0 CGADMP CCOc1cc(F)cc(C[N@@H+](C)C2CCC([NH2+]C)CC2)c1 ZINC001236216007 819380227 /nfs/dbraw/zinc/38/02/27/819380227.db2.gz VLECCQSOHTXMHH-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226978 819390465 /nfs/dbraw/zinc/39/04/65/819390465.db2.gz VOBMXYYZASBPIR-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226978 819390469 /nfs/dbraw/zinc/39/04/69/819390469.db2.gz VOBMXYYZASBPIR-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2s1)C1(C)CC[NH2+]CC1 ZINC001236225654 819391800 /nfs/dbraw/zinc/39/18/00/819391800.db2.gz AFJVOEUJBWIFKE-UHFFFAOYSA-N 2 1 274.433 3.475 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236313997 819421140 /nfs/dbraw/zinc/42/11/40/819421140.db2.gz DNUBSJVOKMQZAK-KDURUIRLSA-N 2 1 286.463 3.284 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320457 819424847 /nfs/dbraw/zinc/42/48/47/819424847.db2.gz HJKKVVFVZWBQMM-GASCZTMLSA-N 2 1 278.827 3.080 20 0 CGADMP COc1cccc([C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)c1 ZINC001236336933 819428341 /nfs/dbraw/zinc/42/83/41/819428341.db2.gz XQCHVTLEDOHVPK-QGZVFWFLSA-N 2 1 290.451 3.394 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001236414645 819459943 /nfs/dbraw/zinc/45/99/43/819459943.db2.gz LOUGRWIIUVDVJE-SJLPKXTDSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001236414645 819459946 /nfs/dbraw/zinc/45/99/46/819459946.db2.gz LOUGRWIIUVDVJE-SJLPKXTDSA-N 2 1 290.451 3.185 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@H]2C[C@@H]2C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491924 819501887 /nfs/dbraw/zinc/50/18/87/819501887.db2.gz HWBSOWUHPCJPMM-GOEBONIOSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1ccc(C[N@H+](C[C@H]2C[C@@H]2C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491924 819501895 /nfs/dbraw/zinc/50/18/95/819501895.db2.gz HWBSOWUHPCJPMM-GOEBONIOSA-N 2 1 290.426 3.344 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236606044 819550654 /nfs/dbraw/zinc/55/06/54/819550654.db2.gz YQEPQDAZKKADIK-SFHVURJKSA-N 2 1 268.404 3.319 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236818906 819605809 /nfs/dbraw/zinc/60/58/09/819605809.db2.gz KTXUODXKNKEIOQ-CFVMTHIKSA-N 2 1 286.444 3.379 20 0 CGADMP CCC[N@H+](Cc1coc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236836255 819615419 /nfs/dbraw/zinc/61/54/19/819615419.db2.gz UELAYDHHAQVSSF-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP CCC[N@@H+](Cc1cc(Cl)ccc1F)C[C@H]1CC[NH2+]C1 ZINC001236835708 819615541 /nfs/dbraw/zinc/61/55/41/819615541.db2.gz PGAGHNTUHOUDNT-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)ccc1F)C[C@H]1CC[NH2+]C1 ZINC001236835708 819615546 /nfs/dbraw/zinc/61/55/46/819615546.db2.gz PGAGHNTUHOUDNT-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCCCC[N@@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236886317 819630072 /nfs/dbraw/zinc/63/00/72/819630072.db2.gz BYICFURZVBDXOF-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4cccccc3-4)C2)C1 ZINC001237193427 819694853 /nfs/dbraw/zinc/69/48/53/819694853.db2.gz OXYVDZOZLBKBFE-IBGZPJMESA-N 2 1 280.415 3.319 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4cccccc3-4)C2)C1 ZINC001237193427 819694855 /nfs/dbraw/zinc/69/48/55/819694855.db2.gz OXYVDZOZLBKBFE-IBGZPJMESA-N 2 1 280.415 3.319 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4cccccc3-4)C2)C1 ZINC001237193427 819694859 /nfs/dbraw/zinc/69/48/59/819694859.db2.gz OXYVDZOZLBKBFE-IBGZPJMESA-N 2 1 280.415 3.319 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237383837 819738856 /nfs/dbraw/zinc/73/88/56/819738856.db2.gz RZVWVBZELQOBIP-NXOAAHMSSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237383837 819738858 /nfs/dbraw/zinc/73/88/58/819738858.db2.gz RZVWVBZELQOBIP-NXOAAHMSSA-N 2 1 262.441 3.053 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237387944 819741224 /nfs/dbraw/zinc/74/12/24/819741224.db2.gz CHSOUWCFYJRMDS-FUHWJXTLSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237387944 819741230 /nfs/dbraw/zinc/74/12/30/819741230.db2.gz CHSOUWCFYJRMDS-FUHWJXTLSA-N 2 1 288.435 3.048 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237411288 819746183 /nfs/dbraw/zinc/74/61/83/819746183.db2.gz FFESNUYJZOOAAU-GDBMZVCRSA-N 2 1 270.376 3.007 20 0 CGADMP CC[N@@H+](CCOC)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237881829 819868282 /nfs/dbraw/zinc/86/82/82/819868282.db2.gz VUUCQRUEACWFFA-UHFFFAOYSA-N 2 1 288.435 3.156 20 0 CGADMP CC(C)n1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001239067574 820212067 /nfs/dbraw/zinc/21/20/67/820212067.db2.gz AQXDQGGNUNDFIN-UHFFFAOYSA-N 2 1 280.375 3.071 20 0 CGADMP Cc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1C ZINC001240701285 821257827 /nfs/dbraw/zinc/25/78/27/821257827.db2.gz BRBKRDOWLCPTRE-UHFFFAOYSA-N 2 1 277.371 3.305 20 0 CGADMP CC[NH+](CC)Cc1ccc(C2=CC[N@@H+](C)CC2)cc1F ZINC001241331813 821737689 /nfs/dbraw/zinc/73/76/89/821737689.db2.gz DZVNLFKKOCMNTG-UHFFFAOYSA-N 2 1 276.399 3.386 20 0 CGADMP Cc1cc(N2CCCCC2)[nH+]cc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242024168 822287289 /nfs/dbraw/zinc/28/72/89/822287289.db2.gz QUGLYBRFRDMRIB-CVEARBPZSA-N 2 1 283.419 3.288 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001242096700 822351455 /nfs/dbraw/zinc/35/14/55/822351455.db2.gz ZIXTZSOQPMYWLX-OAHLLOKOSA-N 2 1 267.376 3.058 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@@H]2CC[N@H+](C)C2)cc1 ZINC001242096700 822351466 /nfs/dbraw/zinc/35/14/66/822351466.db2.gz ZIXTZSOQPMYWLX-OAHLLOKOSA-N 2 1 267.376 3.058 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC001345945404 936830654 /nfs/dbraw/zinc/83/06/54/936830654.db2.gz UAIUWVBBUFSGTL-QWHCGFSZSA-N 2 1 260.372 3.027 20 0 CGADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001349913274 936968682 /nfs/dbraw/zinc/96/86/82/936968682.db2.gz RQBBNLILURRBMZ-JZXOWHBKSA-N 2 1 272.436 3.084 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@@H]2C1 ZINC001355373197 937138483 /nfs/dbraw/zinc/13/84/83/937138483.db2.gz KAMRRHAHBYZKNC-JKIFEVAISA-N 2 1 294.389 3.127 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(F)c1 ZINC001355372716 937138618 /nfs/dbraw/zinc/13/86/18/937138618.db2.gz FHHFTGLEWBREBX-XIRDDKMYSA-N 2 1 290.426 3.296 20 0 CGADMP C[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)CC(C)(C)C ZINC001473345857 937186510 /nfs/dbraw/zinc/18/65/10/937186510.db2.gz NKABAKAHKCJXKF-INIZCTEOSA-N 2 1 297.531 3.017 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C2CCCC2)C1 ZINC001473886755 937202365 /nfs/dbraw/zinc/20/23/65/937202365.db2.gz IONSESLNGKLNHK-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459925748 937506890 /nfs/dbraw/zinc/50/68/90/937506890.db2.gz SRXBHPAGBDNSQW-YYIAUSFCSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001460303715 937525479 /nfs/dbraw/zinc/52/54/79/937525479.db2.gz GKCSOEUQUYDJDV-UHFFFAOYSA-N 2 1 261.413 3.030 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCCCF)CC1 ZINC001460628555 937537823 /nfs/dbraw/zinc/53/78/23/937537823.db2.gz WIYHRGFHKDPUQQ-MRXNPFEDSA-N 2 1 270.436 3.323 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001460798973 937546280 /nfs/dbraw/zinc/54/62/80/937546280.db2.gz BYSDBKISPDPIGG-OAHLLOKOSA-N 2 1 299.393 3.240 20 0 CGADMP C[C@@H](C[NH2+]Cc1cc(O)cc(Cl)c1)C[NH+]1CCCCC1 ZINC001461085768 937563674 /nfs/dbraw/zinc/56/36/74/937563674.db2.gz OSDXPBBHLSDSBR-ZDUSSCGKSA-N 2 1 296.842 3.257 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001462199344 937624467 /nfs/dbraw/zinc/62/44/67/937624467.db2.gz HLQPZDPHFNENJV-MLGOLLRUSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001462199344 937624469 /nfs/dbraw/zinc/62/44/69/937624469.db2.gz HLQPZDPHFNENJV-MLGOLLRUSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC001462199344 937624471 /nfs/dbraw/zinc/62/44/71/937624471.db2.gz HLQPZDPHFNENJV-MLGOLLRUSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC001462199344 937624473 /nfs/dbraw/zinc/62/44/73/937624473.db2.gz HLQPZDPHFNENJV-MLGOLLRUSA-N 2 1 280.843 3.420 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC001462356400 937634959 /nfs/dbraw/zinc/63/49/59/937634959.db2.gz PISFDZYNMGRAEB-AWEZNQCLSA-N 2 1 292.389 3.383 20 0 CGADMP CC(C)C[C@H](C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001307498157 932961852 /nfs/dbraw/zinc/96/18/52/932961852.db2.gz GLFPUSRTSZICMW-HOTGVXAUSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[C@H](C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001307498157 932961857 /nfs/dbraw/zinc/96/18/57/932961857.db2.gz GLFPUSRTSZICMW-HOTGVXAUSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[C@H](C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001307498157 932961859 /nfs/dbraw/zinc/96/18/59/932961859.db2.gz GLFPUSRTSZICMW-HOTGVXAUSA-N 2 1 254.462 3.475 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[Si](C)(C)C)cc1 ZINC001307644168 932978285 /nfs/dbraw/zinc/97/82/85/932978285.db2.gz OPSNDIUGSDSLAS-UHFFFAOYSA-N 2 1 264.489 3.057 20 0 CGADMP CCOc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001308292852 933089383 /nfs/dbraw/zinc/08/93/83/933089383.db2.gz OPKFYLGPTQKDHA-HZPDHXFCSA-N 2 1 294.414 3.187 20 0 CGADMP CCOc1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001308292854 933089905 /nfs/dbraw/zinc/08/99/05/933089905.db2.gz OPKFYLGPTQKDHA-JKSUJKDBSA-N 2 1 294.414 3.187 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC3(CCC3)CC2)CCCO1 ZINC001308369132 933102851 /nfs/dbraw/zinc/10/28/51/933102851.db2.gz HXXILZPDSNFIHO-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC3(CCC3)CC2)CCCO1 ZINC001308369132 933102853 /nfs/dbraw/zinc/10/28/53/933102853.db2.gz HXXILZPDSNFIHO-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308554332 933131937 /nfs/dbraw/zinc/13/19/37/933131937.db2.gz OGWOHJQVQZEZOB-NXWXRZEISA-N 2 1 286.463 3.185 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC001308634278 933146101 /nfs/dbraw/zinc/14/61/01/933146101.db2.gz JZAVQPGGBRPYER-OIISXLGYSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)CCCC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC001308748320 933170162 /nfs/dbraw/zinc/17/01/62/933170162.db2.gz RDCPCHZERPQIIU-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCCC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001308748320 933170164 /nfs/dbraw/zinc/17/01/64/933170164.db2.gz RDCPCHZERPQIIU-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCCC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001308748320 933170168 /nfs/dbraw/zinc/17/01/68/933170168.db2.gz RDCPCHZERPQIIU-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC001308980670 933219981 /nfs/dbraw/zinc/21/99/81/933219981.db2.gz ATUQAUJYCRTIQL-RDJZCZTQSA-N 2 1 278.440 3.084 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001308983461 933221638 /nfs/dbraw/zinc/22/16/38/933221638.db2.gz DSHRVTSUNMJJTN-UVPYHEFZSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001319281827 933851976 /nfs/dbraw/zinc/85/19/76/933851976.db2.gz CVCBYWAGMHMWHI-JQHSSLGASA-N 2 1 272.436 3.142 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001320261054 934021360 /nfs/dbraw/zinc/02/13/60/934021360.db2.gz GGUZCIXLRZXOIR-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001320261054 934021364 /nfs/dbraw/zinc/02/13/64/934021364.db2.gz GGUZCIXLRZXOIR-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP Fc1cccc2c1CC[C@H]2[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001322271847 934266923 /nfs/dbraw/zinc/26/69/23/934266923.db2.gz IEHDTXJQVJDRPU-KBXCAEBGSA-N 2 1 288.410 3.231 20 0 CGADMP Fc1cccc2c1CC[C@H]2[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001322271847 934266931 /nfs/dbraw/zinc/26/69/31/934266931.db2.gz IEHDTXJQVJDRPU-KBXCAEBGSA-N 2 1 288.410 3.231 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC001322474267 934303862 /nfs/dbraw/zinc/30/38/62/934303862.db2.gz CJWQXROJHRHKSE-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC001322634372 934324073 /nfs/dbraw/zinc/32/40/73/934324073.db2.gz TVXSVWRLYLEUOI-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485287 934401169 /nfs/dbraw/zinc/40/11/69/934401169.db2.gz GMMMMKWQTWWGID-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485287 934401171 /nfs/dbraw/zinc/40/11/71/934401171.db2.gz GMMMMKWQTWWGID-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485287 934401177 /nfs/dbraw/zinc/40/11/77/934401177.db2.gz GMMMMKWQTWWGID-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485287 934401184 /nfs/dbraw/zinc/40/11/84/934401184.db2.gz GMMMMKWQTWWGID-DYVFJYSZSA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2F)C[C@@H]1C ZINC001323697953 934418162 /nfs/dbraw/zinc/41/81/62/934418162.db2.gz OYZQPEKGBWQVRQ-BBRMVZONSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)cc2F)C[C@@H]1C ZINC001323697953 934418169 /nfs/dbraw/zinc/41/81/69/934418169.db2.gz OYZQPEKGBWQVRQ-BBRMVZONSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)cc2F)C[C@@H]1C ZINC001323697953 934418171 /nfs/dbraw/zinc/41/81/71/934418171.db2.gz OYZQPEKGBWQVRQ-BBRMVZONSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cccn1C1CC1)[NH+]1CCCCC1 ZINC001324662311 934544684 /nfs/dbraw/zinc/54/46/84/934544684.db2.gz ZPEGHAIJSIUOLU-HNNXBMFYSA-N 2 1 275.440 3.177 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC001325724382 934924901 /nfs/dbraw/zinc/92/49/01/934924901.db2.gz WXWGZBOBVBVUMY-ABAIWWIYSA-N 2 1 270.367 3.250 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001326075891 934948852 /nfs/dbraw/zinc/94/88/52/934948852.db2.gz MRNCEZOIUYXVMO-GFCCVEGCSA-N 2 1 276.355 3.173 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccccc1SC ZINC001326473249 934982432 /nfs/dbraw/zinc/98/24/32/934982432.db2.gz HPWUQQMWGVXMEV-GFCCVEGCSA-N 2 1 252.427 3.059 20 0 CGADMP C[C@](C[NH3+])([NH2+]Cc1cnc(-c2ccccc2)s1)C1CC1 ZINC001326694692 934998691 /nfs/dbraw/zinc/99/86/91/934998691.db2.gz WWICGQWETRRUPB-MRXNPFEDSA-N 2 1 287.432 3.027 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC001327574378 935071625 /nfs/dbraw/zinc/07/16/25/935071625.db2.gz UJACCLBEHXUWIS-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC001327574378 935071632 /nfs/dbraw/zinc/07/16/32/935071632.db2.gz UJACCLBEHXUWIS-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@H](C)C[N@@H+](C)C(C)C ZINC001330039304 935263256 /nfs/dbraw/zinc/26/32/56/935263256.db2.gz CFWADKPSSDDIQG-CQSZACIVSA-N 2 1 271.408 3.106 20 0 CGADMP Oc1ccc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001331753226 935407685 /nfs/dbraw/zinc/40/76/85/935407685.db2.gz CDDIOLYADOBXAU-UHFFFAOYSA-N 2 1 294.826 3.011 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(F)(F)F)C[C@H]1C ZINC001334871533 936120015 /nfs/dbraw/zinc/12/00/15/936120015.db2.gz BFFIQRYSJFLNIV-NEPJUHHUSA-N 2 1 266.351 3.134 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(F)(F)F)C[C@H]1C ZINC001334871533 936120012 /nfs/dbraw/zinc/12/00/12/936120012.db2.gz BFFIQRYSJFLNIV-NEPJUHHUSA-N 2 1 266.351 3.134 20 0 CGADMP CCC[C@H](C)CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001473725405 937819475 /nfs/dbraw/zinc/81/94/75/937819475.db2.gz OHZSNRGEGCOEIJ-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001473725405 937819477 /nfs/dbraw/zinc/81/94/77/937819477.db2.gz OHZSNRGEGCOEIJ-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001473725405 937819479 /nfs/dbraw/zinc/81/94/79/937819479.db2.gz OHZSNRGEGCOEIJ-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001473725405 937819480 /nfs/dbraw/zinc/81/94/80/937819480.db2.gz OHZSNRGEGCOEIJ-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001473810102 937822857 /nfs/dbraw/zinc/82/28/57/937822857.db2.gz ULRMJITXFSQFIA-CABCVRRESA-N 2 1 299.393 3.492 20 0 CGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC001473939695 937831198 /nfs/dbraw/zinc/83/11/98/937831198.db2.gz SJAVRGOCCGFFKC-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC001473939695 937831200 /nfs/dbraw/zinc/83/12/00/937831200.db2.gz SJAVRGOCCGFFKC-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C)oc1C ZINC001474304230 937850070 /nfs/dbraw/zinc/85/00/70/937850070.db2.gz LOGNNFUNMFUDAY-LBPRGKRZSA-N 2 1 252.402 3.106 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1(C)C ZINC001474499160 937863187 /nfs/dbraw/zinc/86/31/87/937863187.db2.gz LWTOSNNVOMCIBI-BRWVUGGUSA-N 2 1 296.499 3.290 20 0 CGADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2)[C@H]1c1cccs1 ZINC001515203096 938004994 /nfs/dbraw/zinc/00/49/94/938004994.db2.gz BITJMGPYRYPICJ-CJNGLKHVSA-N 2 1 287.432 3.060 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC001549545577 938157738 /nfs/dbraw/zinc/15/77/38/938157738.db2.gz GMOYXQREXOEIBO-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001550511976 938166862 /nfs/dbraw/zinc/16/68/62/938166862.db2.gz OMUZDIVFHNCEER-HAYURNKSSA-N 2 1 286.463 3.356 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2conc2C2CC2)CCC1 ZINC001551389310 938181118 /nfs/dbraw/zinc/18/11/18/938181118.db2.gz LHMYWGUXOLWCJQ-HNNXBMFYSA-N 2 1 289.423 3.036 20 0 CGADMP Clc1ccc(C2CC([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC001553025454 938195990 /nfs/dbraw/zinc/19/59/90/938195990.db2.gz FRVKHSYHTADOGK-AVVWSFFYSA-N 2 1 290.838 3.460 20 0 CGADMP CCC[C@H](C)CCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001560043513 938242540 /nfs/dbraw/zinc/24/25/40/938242540.db2.gz BKVKJOXJPOQZGI-GVDBMIGSSA-N 2 1 266.473 3.476 20 0 CGADMP CO[C@@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)C1CCCC1 ZINC001560100645 938244032 /nfs/dbraw/zinc/24/40/32/938244032.db2.gz QXRGAHDWNKZXSC-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001560319015 938252722 /nfs/dbraw/zinc/25/27/22/938252722.db2.gz MCGYIKVGEVFJLY-GOEBONIOSA-N 2 1 275.440 3.452 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](CC)CC2)C1 ZINC001560676411 938269612 /nfs/dbraw/zinc/26/96/12/938269612.db2.gz CAKXKMNEGXCEKZ-CVEARBPZSA-N 2 1 284.513 3.324 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCC(C)C ZINC001560811936 938277324 /nfs/dbraw/zinc/27/73/24/938277324.db2.gz CIRQXXRYHPCKIH-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCC(C)C ZINC001560811936 938277325 /nfs/dbraw/zinc/27/73/25/938277325.db2.gz CIRQXXRYHPCKIH-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814087 938277768 /nfs/dbraw/zinc/27/77/68/938277768.db2.gz OXFAAXIKYQHVBB-IEBWSBKVSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814087 938277769 /nfs/dbraw/zinc/27/77/69/938277769.db2.gz OXFAAXIKYQHVBB-IEBWSBKVSA-N 2 1 284.447 3.091 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001560972815 938287536 /nfs/dbraw/zinc/28/75/36/938287536.db2.gz ZFKGIVSXZUFZKU-PBHICJAKSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001560972815 938287538 /nfs/dbraw/zinc/28/75/38/938287538.db2.gz ZFKGIVSXZUFZKU-PBHICJAKSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001560972815 938287540 /nfs/dbraw/zinc/28/75/40/938287540.db2.gz ZFKGIVSXZUFZKU-PBHICJAKSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001560972815 938287541 /nfs/dbraw/zinc/28/75/41/938287541.db2.gz ZFKGIVSXZUFZKU-PBHICJAKSA-N 2 1 292.854 3.483 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001575564981 960469262 /nfs/dbraw/zinc/46/92/62/960469262.db2.gz HANATZOOGOEAKG-KLHDSHLOSA-N 2 1 252.446 3.321 20 0 CGADMP COCC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001579004795 960477021 /nfs/dbraw/zinc/47/70/21/960477021.db2.gz WETAXPFZEMGPQX-MWLCHTKSSA-N 2 1 291.222 3.008 20 0 CGADMP C[C@@H]([NH3+])C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001576158707 960478879 /nfs/dbraw/zinc/47/88/79/960478879.db2.gz IDYKXROEJCPGHE-SNVBAGLBSA-N 2 1 272.314 3.021 20 0 CGADMP CCCCCC[C@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001577432925 960479076 /nfs/dbraw/zinc/47/90/76/960479076.db2.gz UOOWGWUDECDENN-DLBZAZTESA-N 2 1 296.499 3.301 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001575115303 962337837 /nfs/dbraw/zinc/33/78/37/962337837.db2.gz FEVOOBSLWXUJFF-KRWDZBQOSA-N 2 1 296.405 3.204 20 0 CGADMP CC(C)(C)OCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001575249363 962351154 /nfs/dbraw/zinc/35/11/54/962351154.db2.gz IODWJICAEPQDIY-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC001575566552 962404463 /nfs/dbraw/zinc/40/44/63/962404463.db2.gz YKQUJGWRHQMNQM-OAGGEKHMSA-N 2 1 252.446 3.323 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC001575656080 962406140 /nfs/dbraw/zinc/40/61/40/962406140.db2.gz TYZZAMYDMJMIEU-MAUKXSAKSA-N 2 1 289.467 3.229 20 0 CGADMP C[C@@](C[NH3+])([NH2+]CCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001575976224 962426497 /nfs/dbraw/zinc/42/64/97/962426497.db2.gz UXTDDYMFNOZRML-AWEZNQCLSA-N 2 1 287.234 3.253 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC1(C)C)c1nccc2ccccc21 ZINC001576239774 962453120 /nfs/dbraw/zinc/45/31/20/962453120.db2.gz QTWRNHIDTFZHRJ-XJKSGUPXSA-N 2 1 283.419 3.274 20 0 CGADMP CC1(C)C[C@H](c2ccccc2)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001576394127 962455525 /nfs/dbraw/zinc/45/55/25/962455525.db2.gz MVHZPKGXUMFUPC-VNQPRFMTSA-N 2 1 258.409 3.197 20 0 CGADMP CC1(C)CCc2cc(C[NH2+]CC3([NH3+])CCCC3)ccc2O1 ZINC001576446424 962457087 /nfs/dbraw/zinc/45/70/87/962457087.db2.gz NTNZXAVAAZZDMW-UHFFFAOYSA-N 2 1 288.435 3.151 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC001576503384 962466850 /nfs/dbraw/zinc/46/68/50/962466850.db2.gz RNGIQBDUKLUCQV-INIZCTEOSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576623996 962474291 /nfs/dbraw/zinc/47/42/91/962474291.db2.gz OAQFKLRFZHCZNB-XHHISWJOSA-N 2 1 272.436 3.380 20 0 CGADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CCc3ccccc3C1)CC[NH2+]CC2 ZINC001576638314 962476397 /nfs/dbraw/zinc/47/63/97/962476397.db2.gz OWIXPQZVWPKDPF-IRXDYDNUSA-N 2 1 298.474 3.256 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CC1(C)CCCC1)CC[NH2+]CC2 ZINC001576636649 962476934 /nfs/dbraw/zinc/47/69/34/962476934.db2.gz FFHWQDVLHRKHHD-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001576759609 962492836 /nfs/dbraw/zinc/49/28/36/962492836.db2.gz ZCZXEVHHERLAKF-HFBDOXOYSA-N 2 1 286.341 3.021 20 0 CGADMP C[C@H]([NH2+][C@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CCC(F)(F)CC1 ZINC001576747440 962493687 /nfs/dbraw/zinc/49/36/87/962493687.db2.gz ADTKVPWRZPCLNX-CZXHOFHRSA-N 2 1 274.399 3.177 20 0 CGADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C(C)(C)[NH3+])no1 ZINC001577254542 962514853 /nfs/dbraw/zinc/51/48/53/962514853.db2.gz LVKLDSXJFNGGMJ-GXTWGEPZSA-N 2 1 279.428 3.269 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(C(C)(C)[NH3+])no1 ZINC001577313301 962527554 /nfs/dbraw/zinc/52/75/54/962527554.db2.gz ZLSQOBGWNPJBPC-INIZCTEOSA-N 2 1 299.418 3.378 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C(C)(C)[NH3+])no1 ZINC001577313301 962527562 /nfs/dbraw/zinc/52/75/62/962527562.db2.gz ZLSQOBGWNPJBPC-INIZCTEOSA-N 2 1 299.418 3.378 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1nc2ccc(F)cc2s1 ZINC001578465614 962590584 /nfs/dbraw/zinc/59/05/84/962590584.db2.gz DPUNCDSNRLZKNQ-UHFFFAOYSA-N 2 1 295.427 3.386 20 0 CGADMP Cc1ccc(CC[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)cc1C ZINC001579688175 962651936 /nfs/dbraw/zinc/65/19/36/962651936.db2.gz UKSIMFUORCJSKL-RBUKOAKNSA-N 2 1 286.463 3.297 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c(Cl)c1 ZINC001579697157 962653209 /nfs/dbraw/zinc/65/32/09/962653209.db2.gz ZUUANRANJGAXDY-KGLIPLIRSA-N 2 1 264.800 3.008 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000337384044 214043847 /nfs/dbraw/zinc/04/38/47/214043847.db2.gz GFNOJPMGCGSWPJ-AWEZNQCLSA-N 2 1 292.471 3.237 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Cc2ccccc2)C1 ZINC000124354688 187133846 /nfs/dbraw/zinc/13/38/46/187133846.db2.gz WUMKMGQBZCNGIR-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124354688 187133847 /nfs/dbraw/zinc/13/38/47/187133847.db2.gz WUMKMGQBZCNGIR-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124354688 187133848 /nfs/dbraw/zinc/13/38/48/187133848.db2.gz WUMKMGQBZCNGIR-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C1CC1 ZINC000124824386 187156643 /nfs/dbraw/zinc/15/66/43/187156643.db2.gz VITZSNZSZAMYGU-UHFFFAOYSA-N 2 1 269.392 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000124824386 187156644 /nfs/dbraw/zinc/15/66/44/187156644.db2.gz VITZSNZSZAMYGU-UHFFFAOYSA-N 2 1 269.392 3.246 20 0 CGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)c1cccs1 ZINC000124949571 187162746 /nfs/dbraw/zinc/16/27/46/187162746.db2.gz MQBZYQGJFSFQIA-GFCCVEGCSA-N 2 1 263.410 3.336 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000124949571 187162747 /nfs/dbraw/zinc/16/27/47/187162747.db2.gz MQBZYQGJFSFQIA-GFCCVEGCSA-N 2 1 263.410 3.336 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cccs1 ZINC000124949571 187162748 /nfs/dbraw/zinc/16/27/48/187162748.db2.gz MQBZYQGJFSFQIA-GFCCVEGCSA-N 2 1 263.410 3.336 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000651628500 398259773 /nfs/dbraw/zinc/25/97/73/398259773.db2.gz QCDRZRNOPYZRJC-UHFFFAOYSA-N 2 1 272.436 3.138 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000337738055 214240482 /nfs/dbraw/zinc/24/04/82/214240482.db2.gz BKRLSXBFBPNVLC-SFHVURJKSA-N 2 1 290.451 3.426 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000337740235 214241757 /nfs/dbraw/zinc/24/17/57/214241757.db2.gz CMOTZQNHQICZFD-HNNXBMFYSA-N 2 1 298.883 3.493 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000622004464 349620890 /nfs/dbraw/zinc/62/08/90/349620890.db2.gz PDQIUTJDGGGFNC-RTBURBONSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000622004464 349620893 /nfs/dbraw/zinc/62/08/93/349620893.db2.gz PDQIUTJDGGGFNC-RTBURBONSA-N 2 1 293.414 3.062 20 0 CGADMP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000622043484 349623192 /nfs/dbraw/zinc/62/31/92/349623192.db2.gz BRIYHPJSWPSJMT-ZNMIVQPWSA-N 2 1 280.362 3.115 20 0 CGADMP FC1(F)C[C@@H]1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000622043483 349623255 /nfs/dbraw/zinc/62/32/55/349623255.db2.gz BRIYHPJSWPSJMT-SOUVJXGZSA-N 2 1 280.362 3.115 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000651811585 398290701 /nfs/dbraw/zinc/29/07/01/398290701.db2.gz TZKUWHFDACEENS-RHSMWYFYSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000651811585 398290702 /nfs/dbraw/zinc/29/07/02/398290702.db2.gz TZKUWHFDACEENS-RHSMWYFYSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000651811585 398290704 /nfs/dbraw/zinc/29/07/04/398290704.db2.gz TZKUWHFDACEENS-RHSMWYFYSA-N 2 1 260.425 3.021 20 0 CGADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000651811585 398290705 /nfs/dbraw/zinc/29/07/05/398290705.db2.gz TZKUWHFDACEENS-RHSMWYFYSA-N 2 1 260.425 3.021 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000651808426 398290855 /nfs/dbraw/zinc/29/08/55/398290855.db2.gz QRCQGEPDDQQFLW-BZUAXINKSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651828178 398294727 /nfs/dbraw/zinc/29/47/27/398294727.db2.gz YDYXKRGKBUTZAZ-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@]1(C)CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651828088 398294741 /nfs/dbraw/zinc/29/47/41/398294741.db2.gz VHUXGMMVRZYHFE-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)Cc1cccs1 ZINC000651866040 398298650 /nfs/dbraw/zinc/29/86/50/398298650.db2.gz RPKUTTYGKOXOTO-CQSZACIVSA-N 2 1 268.470 3.247 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337993735 214349470 /nfs/dbraw/zinc/34/94/70/214349470.db2.gz SWHLMHXWLNOIMN-ZWKOTPCHSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000338012924 214360543 /nfs/dbraw/zinc/36/05/43/214360543.db2.gz BUYAHDRARRHNSI-HZPDHXFCSA-N 2 1 293.455 3.011 20 0 CGADMP COc1cccc(F)c1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000338012656 214361023 /nfs/dbraw/zinc/36/10/23/214361023.db2.gz LINWQTUJFUGXNV-LBPRGKRZSA-N 2 1 291.370 3.080 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273122736 192050072 /nfs/dbraw/zinc/05/00/72/192050072.db2.gz YIAUSRAIHPPPQL-AWEZNQCLSA-N 2 1 276.424 3.139 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423466419 529453245 /nfs/dbraw/zinc/45/32/45/529453245.db2.gz NMNSYQVNHOVTLZ-LRDDRELGSA-N 2 1 272.392 3.236 20 0 CGADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423300426 529498931 /nfs/dbraw/zinc/49/89/31/529498931.db2.gz DQGHEAWCIUCAHL-LBPRGKRZSA-N 2 1 272.392 3.174 20 0 CGADMP Cc1[nH+]ccc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1Cl ZINC000488723262 282186945 /nfs/dbraw/zinc/18/69/45/282186945.db2.gz QMSJLUMGSCOXQB-LALPHHSUSA-N 2 1 293.842 3.210 20 0 CGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccco1 ZINC000125948534 187206982 /nfs/dbraw/zinc/20/69/82/187206982.db2.gz QJCVJMFQUOCMKG-OCCSQVGLSA-N 2 1 252.402 3.297 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142531 192056559 /nfs/dbraw/zinc/05/65/59/192056559.db2.gz FHEAETDQJVKMCW-JKSUJKDBSA-N 2 1 290.451 3.304 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cn1 ZINC000273146415 192056880 /nfs/dbraw/zinc/05/68/80/192056880.db2.gz GMOTUHYOVMRPCW-HNNXBMFYSA-N 2 1 284.407 3.244 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000423457042 529567581 /nfs/dbraw/zinc/56/75/81/529567581.db2.gz FEKKFFQKRMNOIA-OLZOCXBDSA-N 2 1 285.229 3.227 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(Cl)c1 ZINC000423337347 529591891 /nfs/dbraw/zinc/59/18/91/529591891.db2.gz VHOPUQAIBPYJOQ-ZDUSSCGKSA-N 2 1 252.789 3.262 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC ZINC000414172522 529605510 /nfs/dbraw/zinc/60/55/10/529605510.db2.gz FJYGDUYSPAOEAU-RDJZCZTQSA-N 2 1 290.451 3.468 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(F)cc1F ZINC000425951308 529610206 /nfs/dbraw/zinc/61/02/06/529610206.db2.gz MLTBYAGJWKJTDP-ABAIWWIYSA-N 2 1 270.367 3.203 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423312883 529611211 /nfs/dbraw/zinc/61/12/11/529611211.db2.gz DYMZQYQYXGKOJL-KGLIPLIRSA-N 2 1 252.789 3.118 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000126107475 187217866 /nfs/dbraw/zinc/21/78/66/187217866.db2.gz HARSLSFYMQEWOH-HZSPNIEDSA-N 2 1 280.481 3.344 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000312085777 282208992 /nfs/dbraw/zinc/20/89/92/282208992.db2.gz WMQMNHGCXMUCBC-UHFFFAOYSA-N 2 1 261.413 3.284 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1C ZINC000623336174 349780625 /nfs/dbraw/zinc/78/06/25/349780625.db2.gz ZRCAMTHBPHIMNX-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](COc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371578 349792359 /nfs/dbraw/zinc/79/23/59/349792359.db2.gz JXNBNHFOXDJAKM-HIFRSBDPSA-N 2 1 294.414 3.055 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(Br)c1 ZINC000423281283 529654383 /nfs/dbraw/zinc/65/43/83/529654383.db2.gz UCMNMDQNEYMWBM-KBPBESRZSA-N 2 1 297.240 3.227 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000423527345 529668922 /nfs/dbraw/zinc/66/89/22/529668922.db2.gz MJDOIKUFRBBKDK-JKSUJKDBSA-N 2 1 264.388 3.384 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1OC(F)F ZINC000423406774 529671692 /nfs/dbraw/zinc/67/16/92/529671692.db2.gz UZACPKHBYRIEPT-UBHSHLNASA-N 2 1 298.377 3.327 20 0 CGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCF)CC1 ZINC000126549345 187247401 /nfs/dbraw/zinc/24/74/01/187247401.db2.gz SRAMNRSAHFLRPC-UHFFFAOYSA-N 2 1 278.415 3.190 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)CC1(C)C ZINC000623423953 349804706 /nfs/dbraw/zinc/80/47/06/349804706.db2.gz XWJMDCLJXVRJPH-CRAIPNDOSA-N 2 1 286.463 3.254 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623428237 349805279 /nfs/dbraw/zinc/80/52/79/349805279.db2.gz CYROLQFXWVVTIL-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000358341450 282273601 /nfs/dbraw/zinc/27/36/01/282273601.db2.gz NTFDCHVFQNXMNL-OIISXLGYSA-N 2 1 284.488 3.148 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2cccs2)CC1(C)C ZINC000623480889 349817534 /nfs/dbraw/zinc/81/75/34/349817534.db2.gz LCIAHRPJPZWTPQ-CYBMUJFWSA-N 2 1 266.454 3.143 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)CC1(C)C ZINC000623514991 349825348 /nfs/dbraw/zinc/82/53/48/349825348.db2.gz JQTQRFMIWUTPFV-CYBMUJFWSA-N 2 1 274.399 3.274 20 0 CGADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496049 349820075 /nfs/dbraw/zinc/82/00/75/349820075.db2.gz FRPINJXQPBSKNN-JYJNAYRXSA-N 2 1 282.472 3.043 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573521 349838999 /nfs/dbraw/zinc/83/89/99/349838999.db2.gz LSAIJGBJLMCUTE-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000623656719 349858762 /nfs/dbraw/zinc/85/87/62/349858762.db2.gz AFXOITKQEKVJMV-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000623656719 349858763 /nfs/dbraw/zinc/85/87/63/349858763.db2.gz AFXOITKQEKVJMV-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000623696982 349868080 /nfs/dbraw/zinc/86/80/80/349868080.db2.gz QQJKXSRJUYGWIX-UHFFFAOYSA-N 2 1 285.382 3.309 20 0 CGADMP c1ccc(CSCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000592437252 346985910 /nfs/dbraw/zinc/98/59/10/346985910.db2.gz FCQOJUGQRUXDEP-INIZCTEOSA-N 2 1 290.476 3.184 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC23CC3)CC1(C)C ZINC000623825628 349891416 /nfs/dbraw/zinc/89/14/16/349891416.db2.gz HGTYPHUZIDMFTK-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCCO1 ZINC000623855683 349897051 /nfs/dbraw/zinc/89/70/51/349897051.db2.gz FQYLFOWJZRKZQX-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423241753 529978769 /nfs/dbraw/zinc/97/87/69/529978769.db2.gz IGJLZTJDTQMBRV-UKRRQHHQSA-N 2 1 266.816 3.175 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCSC2(CCC2)CC1 ZINC000411872619 530052743 /nfs/dbraw/zinc/05/27/43/530052743.db2.gz VXGCREALHDDJSL-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCSC2(CCC2)CC1 ZINC000411872619 530052744 /nfs/dbraw/zinc/05/27/44/530052744.db2.gz VXGCREALHDDJSL-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411872619 530052745 /nfs/dbraw/zinc/05/27/45/530052745.db2.gz VXGCREALHDDJSL-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCSC2(CCC2)CC1 ZINC000411872619 530052746 /nfs/dbraw/zinc/05/27/46/530052746.db2.gz VXGCREALHDDJSL-HNNXBMFYSA-N 2 1 282.497 3.222 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000040620834 344964239 /nfs/dbraw/zinc/96/42/39/344964239.db2.gz AWMYQHJSXCNSRR-KRWDZBQOSA-N 2 1 274.452 3.432 20 0 CGADMP CCC(CC)[C@H](C[NH2+]C(C1CC1)C1CC1)[NH+](C)C ZINC000037466819 344950732 /nfs/dbraw/zinc/95/07/32/344950732.db2.gz LQQVKFWYYCWWHH-HNNXBMFYSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000044533455 345012862 /nfs/dbraw/zinc/01/28/62/345012862.db2.gz ZDANIAGWSPWXKE-BZOOQXSSSA-N 2 1 276.399 3.003 20 0 CGADMP COc1ccc2cc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000068722679 345360253 /nfs/dbraw/zinc/36/02/53/345360253.db2.gz UQFVJMVLMXAGOF-MRXNPFEDSA-N 2 1 298.430 3.280 20 0 CGADMP Cc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000075766443 232176023 /nfs/dbraw/zinc/17/60/23/232176023.db2.gz ICZMDLXGUOHABO-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000075766443 232176029 /nfs/dbraw/zinc/17/60/29/232176029.db2.gz ICZMDLXGUOHABO-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000075766443 232176032 /nfs/dbraw/zinc/17/60/32/232176032.db2.gz ICZMDLXGUOHABO-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000075766443 232176035 /nfs/dbraw/zinc/17/60/35/232176035.db2.gz ICZMDLXGUOHABO-JKSUJKDBSA-N 2 1 260.425 3.330 20 0 CGADMP CC(C)(C)c1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1 ZINC000070188388 345389171 /nfs/dbraw/zinc/38/91/71/345389171.db2.gz SPQCKJAJCQHPGN-UHFFFAOYSA-N 2 1 281.469 3.001 20 0 CGADMP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2ccccc21 ZINC000120196264 232185281 /nfs/dbraw/zinc/18/52/81/232185281.db2.gz QNMIQAVGLLGTFQ-UHFFFAOYSA-N 2 1 280.375 3.266 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCCCO1 ZINC000623957646 349928233 /nfs/dbraw/zinc/92/82/33/349928233.db2.gz PMJIANQKIKRRQG-DFGXFYAUSA-N 2 1 294.483 3.187 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000071142311 345402361 /nfs/dbraw/zinc/40/23/61/345402361.db2.gz MHTDOIUWFDWYNU-LSDHHAIUSA-N 2 1 268.404 3.442 20 0 CGADMP CCc1cccc(OCC[N@@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000077249880 345564730 /nfs/dbraw/zinc/56/47/30/345564730.db2.gz SXQUQNWSJFUTSH-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CCc1cccc(OCC[N@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000077249880 345564735 /nfs/dbraw/zinc/56/47/35/345564735.db2.gz SXQUQNWSJFUTSH-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156569580 232228797 /nfs/dbraw/zinc/22/87/97/232228797.db2.gz RWWNWYMUSKWHND-LZLYRXPVSA-N 2 1 274.452 3.388 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156569580 232228799 /nfs/dbraw/zinc/22/87/99/232228799.db2.gz RWWNWYMUSKWHND-LZLYRXPVSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000092739338 345854815 /nfs/dbraw/zinc/85/48/15/345854815.db2.gz BWTZRLYDVVKUSC-GJZGRUSLSA-N 2 1 293.430 3.383 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Cc1cccs1 ZINC000167478010 232265122 /nfs/dbraw/zinc/26/51/22/232265122.db2.gz USTPAPXFFYJMIB-KNCOVGOOSA-N 2 1 280.481 3.245 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)ccc2c1 ZINC000156071018 346157015 /nfs/dbraw/zinc/15/70/15/346157015.db2.gz VBJNOOFYIXOOHD-GUYCJALGSA-N 2 1 284.403 3.160 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000227031807 346308019 /nfs/dbraw/zinc/30/80/19/346308019.db2.gz LEFLQAALBPKWLU-NVXWUHKLSA-N 2 1 290.451 3.033 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248376172 346375430 /nfs/dbraw/zinc/37/54/30/346375430.db2.gz ZVEIFZHGXYEMEN-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248376172 346375435 /nfs/dbraw/zinc/37/54/35/346375435.db2.gz ZVEIFZHGXYEMEN-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248376172 346375440 /nfs/dbraw/zinc/37/54/40/346375440.db2.gz ZVEIFZHGXYEMEN-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000252700391 346392297 /nfs/dbraw/zinc/39/22/97/346392297.db2.gz ZTVBCRVADKMKDF-PMPSAXMXSA-N 2 1 260.425 3.342 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300138331 346436095 /nfs/dbraw/zinc/43/60/95/346436095.db2.gz NBOHJGHOJFWTML-ILXRZTDVSA-N 2 1 252.446 3.131 20 0 CGADMP CCC1(CC)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351738376 219191988 /nfs/dbraw/zinc/19/19/88/219191988.db2.gz KKPVFNPZDCKRRQ-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CCC1(CC)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351738376 219191990 /nfs/dbraw/zinc/19/19/90/219191990.db2.gz KKPVFNPZDCKRRQ-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CCC1(CC)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351738376 219191992 /nfs/dbraw/zinc/19/19/92/219191992.db2.gz KKPVFNPZDCKRRQ-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1ccnc([C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000583508437 346679664 /nfs/dbraw/zinc/67/96/64/346679664.db2.gz KOAMXYLYMPOPNT-SJORKVTESA-N 2 1 287.451 3.054 20 0 CGADMP Cc1ccnc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000583508437 346679668 /nfs/dbraw/zinc/67/96/68/346679668.db2.gz KOAMXYLYMPOPNT-SJORKVTESA-N 2 1 287.451 3.054 20 0 CGADMP Cc1ccnc([C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000583508437 346679671 /nfs/dbraw/zinc/67/96/71/346679671.db2.gz KOAMXYLYMPOPNT-SJORKVTESA-N 2 1 287.451 3.054 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595020988 347259623 /nfs/dbraw/zinc/25/96/23/347259623.db2.gz BSHPQIWHPVZWNM-HUUCEWRRSA-N 2 1 290.492 3.035 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000624119765 349976187 /nfs/dbraw/zinc/97/61/87/349976187.db2.gz JBHQBYMFBVPJPT-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000351862494 219230682 /nfs/dbraw/zinc/23/06/82/219230682.db2.gz POIYMZOYUQNEEG-LSDHHAIUSA-N 2 1 290.451 3.032 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119918 349977435 /nfs/dbraw/zinc/97/74/35/349977435.db2.gz MEVJADJTFQFDHT-JKSUJKDBSA-N 2 1 260.425 3.378 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000624121059 349978809 /nfs/dbraw/zinc/97/88/09/349978809.db2.gz NAQIVXLIORGQKD-KBPBESRZSA-N 2 1 264.413 3.225 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000624121059 349978811 /nfs/dbraw/zinc/97/88/11/349978811.db2.gz NAQIVXLIORGQKD-KBPBESRZSA-N 2 1 264.413 3.225 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@H]1C ZINC000624121775 349979922 /nfs/dbraw/zinc/97/99/22/349979922.db2.gz CVIGWKKHVBMFBH-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121662 349980060 /nfs/dbraw/zinc/98/00/60/349980060.db2.gz ALOIKPYEBMFOIG-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000624121542 349980331 /nfs/dbraw/zinc/98/03/31/349980331.db2.gz XUIAHKYOGOYFIR-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000624121544 349980368 /nfs/dbraw/zinc/98/03/68/349980368.db2.gz XUIAHKYOGOYFIR-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000624122324 349981979 /nfs/dbraw/zinc/98/19/79/349981979.db2.gz OKVDLIIRTREZGC-CRAIPNDOSA-N 2 1 287.451 3.255 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000624123219 349983228 /nfs/dbraw/zinc/98/32/28/349983228.db2.gz IEAVBGNIEHHVEY-YOEHRIQHSA-N 2 1 288.435 3.091 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431270 215164053 /nfs/dbraw/zinc/16/40/53/215164053.db2.gz IVBFUYDDZAKGDE-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431270 215164056 /nfs/dbraw/zinc/16/40/56/215164056.db2.gz IVBFUYDDZAKGDE-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339431270 215164058 /nfs/dbraw/zinc/16/40/58/215164058.db2.gz IVBFUYDDZAKGDE-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339431270 215164061 /nfs/dbraw/zinc/16/40/61/215164061.db2.gz IVBFUYDDZAKGDE-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccco1 ZINC000359419302 233315263 /nfs/dbraw/zinc/31/52/63/233315263.db2.gz KSOTZBMOBHVILN-QFBILLFUSA-N 2 1 298.430 3.322 20 0 CGADMP CC(C)[NH+](CCCC[N@H+](C)C(C)C)C[C@H]1C[C@@H]1C ZINC000625931181 350232087 /nfs/dbraw/zinc/23/20/87/350232087.db2.gz OQNHCTPHEKHAEF-JKSUJKDBSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[NH+](C)CCCC[N@H+](C[C@H]1C[C@@H]1C)C(C)C ZINC000625931181 350232088 /nfs/dbraw/zinc/23/20/88/350232088.db2.gz OQNHCTPHEKHAEF-JKSUJKDBSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)[NH+](C)CCCC[N@@H+](C[C@H]1C[C@@H]1C)C(C)C ZINC000625931181 350232091 /nfs/dbraw/zinc/23/20/91/350232091.db2.gz OQNHCTPHEKHAEF-JKSUJKDBSA-N 2 1 254.462 3.473 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000352123210 219327394 /nfs/dbraw/zinc/32/73/94/219327394.db2.gz LKOHTMXRVSCWMQ-PMPSAXMXSA-N 2 1 290.451 3.176 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000352123210 219327397 /nfs/dbraw/zinc/32/73/97/219327397.db2.gz LKOHTMXRVSCWMQ-PMPSAXMXSA-N 2 1 290.451 3.176 20 0 CGADMP c1[nH]nc2cccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c12 ZINC000628129536 350404451 /nfs/dbraw/zinc/40/44/51/350404451.db2.gz GWDFNNSMZMUZBP-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP C[C@]1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCS1 ZINC000628190781 350433484 /nfs/dbraw/zinc/43/34/84/350433484.db2.gz QBXRVUBXJLPTHK-USXIJHARSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCS1 ZINC000628190781 350433486 /nfs/dbraw/zinc/43/34/86/350433486.db2.gz QBXRVUBXJLPTHK-USXIJHARSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCS1 ZINC000628190781 350433487 /nfs/dbraw/zinc/43/34/87/350433487.db2.gz QBXRVUBXJLPTHK-USXIJHARSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCS1 ZINC000628190781 350433488 /nfs/dbraw/zinc/43/34/88/350433488.db2.gz QBXRVUBXJLPTHK-USXIJHARSA-N 2 1 294.508 3.221 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2[nH]1 ZINC000628182057 350426090 /nfs/dbraw/zinc/42/60/90/350426090.db2.gz AZWRQUYXUZOLTC-MRXNPFEDSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3[nH]ccc3c2)CC1 ZINC000628243893 350464001 /nfs/dbraw/zinc/46/40/01/350464001.db2.gz KZUQJGYBPBCYGH-UHFFFAOYSA-N 2 1 283.419 3.228 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000629526831 350702486 /nfs/dbraw/zinc/70/24/86/350702486.db2.gz APIITRYDGWUWJJ-XMTFNYHQSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540340 350706753 /nfs/dbraw/zinc/70/67/53/350706753.db2.gz OVHVDPIEYMKSFD-TYNCELHUSA-N 2 1 282.378 3.016 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)c1ccccc1 ZINC000629542092 350707693 /nfs/dbraw/zinc/70/76/93/350707693.db2.gz YHNLHIFWSAMZSF-FMKPAKJESA-N 2 1 260.425 3.083 20 0 CGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000629580700 350713572 /nfs/dbraw/zinc/71/35/72/350713572.db2.gz DXFZUMLPNPPRJO-GFCCVEGCSA-N 2 1 298.352 3.063 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000629408665 350689112 /nfs/dbraw/zinc/68/91/12/350689112.db2.gz YFUZHELEXFMREH-SRMUXQRQSA-N 2 1 278.827 3.316 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000629514481 350699700 /nfs/dbraw/zinc/69/97/00/350699700.db2.gz MIULLZNERIBRMC-IIAWOOMASA-N 2 1 294.826 3.063 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629656766 350731520 /nfs/dbraw/zinc/73/15/20/350731520.db2.gz QHFBEXMGUSCDLE-ZOBORPQBSA-N 2 1 292.389 3.272 20 0 CGADMP FC(F)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000631054862 350938132 /nfs/dbraw/zinc/93/81/32/350938132.db2.gz YETVNRLVXKVXEV-UHFFFAOYSA-N 2 1 295.377 3.126 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccc(C(F)F)nc1)[NH+]1CCCCC1 ZINC000631112629 350957933 /nfs/dbraw/zinc/95/79/33/350957933.db2.gz WLDDIDYRQZDQLF-ZDUSSCGKSA-N 2 1 297.393 3.373 20 0 CGADMP c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000631576150 351073364 /nfs/dbraw/zinc/07/33/64/351073364.db2.gz GLSWSQFANQRCOK-GOSISDBHSA-N 2 1 285.435 3.066 20 0 CGADMP FC1(F)CC[C@@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000631829061 351148551 /nfs/dbraw/zinc/14/85/51/351148551.db2.gz GCUASBXJPUYYDS-HIFRSBDPSA-N 2 1 286.410 3.133 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352242529 219380319 /nfs/dbraw/zinc/38/03/19/219380319.db2.gz RMLVKDITYXQYPZ-ALCCZGGFSA-N 2 1 282.378 3.300 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634677848 351563947 /nfs/dbraw/zinc/56/39/47/351563947.db2.gz AHQJNRNPEQOMLQ-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679663 351565080 /nfs/dbraw/zinc/56/50/80/351565080.db2.gz BEVSXTHZWZIWAZ-HOTGVXAUSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679663 351565084 /nfs/dbraw/zinc/56/50/84/351565084.db2.gz BEVSXTHZWZIWAZ-HOTGVXAUSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000123287076 187082683 /nfs/dbraw/zinc/08/26/83/187082683.db2.gz HIRDWZZYQMXNIE-LBPRGKRZSA-N 2 1 260.381 3.171 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC1 ZINC000271480194 191163891 /nfs/dbraw/zinc/16/38/91/191163891.db2.gz KGLILEXTSASVBE-YJBOKZPZSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC1 ZINC000271480194 191163893 /nfs/dbraw/zinc/16/38/93/191163893.db2.gz KGLILEXTSASVBE-YJBOKZPZSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000271504030 191179626 /nfs/dbraw/zinc/17/96/26/191179626.db2.gz MOIMAHOCKVHBLJ-IAGOWNOFSA-N 2 1 289.467 3.409 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192390749 290339307 /nfs/dbraw/zinc/33/93/07/290339307.db2.gz RAZWQRJOTOOQRD-SWLSCSKDSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113413 198167738 /nfs/dbraw/zinc/16/77/38/198167738.db2.gz JHSZFMCRNTVZPR-RHSMWYFYSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113413 198167740 /nfs/dbraw/zinc/16/77/40/198167740.db2.gz JHSZFMCRNTVZPR-RHSMWYFYSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113413 198167742 /nfs/dbraw/zinc/16/77/42/198167742.db2.gz JHSZFMCRNTVZPR-RHSMWYFYSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113413 198167743 /nfs/dbraw/zinc/16/77/43/198167743.db2.gz JHSZFMCRNTVZPR-RHSMWYFYSA-N 2 1 292.854 3.471 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000367478888 234219137 /nfs/dbraw/zinc/21/91/37/234219137.db2.gz QBZFCNXQXWBOSP-CQSZACIVSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000367478888 234219140 /nfs/dbraw/zinc/21/91/40/234219140.db2.gz QBZFCNXQXWBOSP-CQSZACIVSA-N 2 1 261.413 3.094 20 0 CGADMP COCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000158266708 188366929 /nfs/dbraw/zinc/36/69/29/188366929.db2.gz GIJLMJOETLBTGW-CQSZACIVSA-N 2 1 287.407 3.258 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000271700859 191282787 /nfs/dbraw/zinc/28/27/87/191282787.db2.gz MMAXWYLGXYFYIS-KRWDZBQOSA-N 2 1 287.382 3.388 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000298062582 283002695 /nfs/dbraw/zinc/00/26/95/283002695.db2.gz KFBLNEANSYKQFV-SFHVURJKSA-N 2 1 288.410 3.420 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000271822334 191348830 /nfs/dbraw/zinc/34/88/30/191348830.db2.gz COYSOJHQSGFODG-QGZVFWFLSA-N 2 1 258.409 3.235 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271873296 191382373 /nfs/dbraw/zinc/38/23/73/191382373.db2.gz NIKCNIPPFQVREM-SFHVURJKSA-N 2 1 272.436 3.168 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)oc1C ZINC000414192581 235359846 /nfs/dbraw/zinc/35/98/46/235359846.db2.gz SLWCDXLQRCTXHA-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000414135605 235345194 /nfs/dbraw/zinc/34/51/94/235345194.db2.gz CPVOPWAHHJOVSU-WZYMTQMTSA-N 2 1 288.435 3.279 20 0 CGADMP Cc1cccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC000414758193 235459944 /nfs/dbraw/zinc/45/99/44/235459944.db2.gz UOYDOLUEPQDBTM-SOLBZPMBSA-N 2 1 272.436 3.172 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414786429 235463303 /nfs/dbraw/zinc/46/33/03/235463303.db2.gz BDVXMFVEUJBAOH-AWEZNQCLSA-N 2 1 260.381 3.068 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000123659115 138369560 /nfs/dbraw/zinc/36/95/60/138369560.db2.gz SWQWNHMPVHLTEH-NHYWBVRUSA-N 2 1 270.367 3.331 20 0 CGADMP COCC[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000124560997 138376395 /nfs/dbraw/zinc/37/63/95/138376395.db2.gz RVHYTVFKVPBLRR-HOTGVXAUSA-N 2 1 290.451 3.227 20 0 CGADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000124758914 138377507 /nfs/dbraw/zinc/37/75/07/138377507.db2.gz LKBXFAAZLOESJW-SNVBAGLBSA-N 2 1 258.768 3.081 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000124758914 138377509 /nfs/dbraw/zinc/37/75/09/138377509.db2.gz LKBXFAAZLOESJW-SNVBAGLBSA-N 2 1 258.768 3.081 20 0 CGADMP C[N@H+]1CCC[C@@H]1CCN(Cc1ccccc1F)C1CC1 ZINC000124734934 138377597 /nfs/dbraw/zinc/37/75/97/138377597.db2.gz HIGSMWXOEXANRY-OAHLLOKOSA-N 2 1 276.399 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC[N@H+]1C ZINC000128380613 138393334 /nfs/dbraw/zinc/39/33/34/138393334.db2.gz IBHCHTPZXUEHDZ-CRAIPNDOSA-N 2 1 295.430 3.321 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC[N@H+]1C ZINC000128381335 138393473 /nfs/dbraw/zinc/39/34/73/138393473.db2.gz IBHCHTPZXUEHDZ-YJBOKZPZSA-N 2 1 295.430 3.321 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c2ccccc2n1 ZINC000128438218 138394211 /nfs/dbraw/zinc/39/42/11/138394211.db2.gz XZUJSSNRKLKSAV-KRWDZBQOSA-N 2 1 285.435 3.348 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423260686 236012466 /nfs/dbraw/zinc/01/24/66/236012466.db2.gz ICXNIUKVVGUDDL-AAEUAGOBSA-N 2 1 282.453 3.315 20 0 CGADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CC3C[NH2+]C3)cs2)cs1 ZINC000423299764 236029425 /nfs/dbraw/zinc/02/94/25/236029425.db2.gz CIKHCCIVVUSZDW-SECBINFHSA-N 2 1 293.461 3.050 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)CCS2 ZINC000423267285 236014449 /nfs/dbraw/zinc/01/44/49/236014449.db2.gz CTQHFFXHHNGGDL-GJZGRUSLSA-N 2 1 276.449 3.167 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C1CCCCC1 ZINC000423272109 236016031 /nfs/dbraw/zinc/01/60/31/236016031.db2.gz YLOMWQXWLKYONJ-PMPSAXMXSA-N 2 1 250.430 3.062 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)C1CC1 ZINC000423313917 236034586 /nfs/dbraw/zinc/03/45/86/236034586.db2.gz GJFIKCVXSAMHNA-RTBURBONSA-N 2 1 298.405 3.436 20 0 CGADMP CC(C)C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000191701077 138474346 /nfs/dbraw/zinc/47/43/46/138474346.db2.gz MDOBAFRZRHBNLM-GOOCMWNKSA-N 2 1 252.446 3.129 20 0 CGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423410015 236066558 /nfs/dbraw/zinc/06/65/58/236066558.db2.gz ZMIDLXRPAYWGGT-ZLDLUXBVSA-N 2 1 272.392 3.390 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000423443956 236072445 /nfs/dbraw/zinc/07/24/45/236072445.db2.gz LEBCIDXCFOZPKU-MKBNYLNASA-N 2 1 264.388 3.382 20 0 CGADMP CCOc1ccc([C@H](CC)[NH2+]C[C@@H]([NH3+])CC)cc1OCC ZINC000423483601 236083883 /nfs/dbraw/zinc/08/38/83/236083883.db2.gz YAJVYWGVEQKCLY-GJZGRUSLSA-N 2 1 294.439 3.262 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423526611 236093079 /nfs/dbraw/zinc/09/30/79/236093079.db2.gz LTACLDIGDQDWNN-LBPRGKRZSA-N 2 1 298.377 3.389 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000424193168 236131693 /nfs/dbraw/zinc/13/16/93/236131693.db2.gz JWZNSJHECZSRPO-RBUKOAKNSA-N 2 1 284.447 3.429 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]3C3CCC3)CC[NH2+]2)cc1 ZINC000424373211 236158672 /nfs/dbraw/zinc/15/86/72/236158672.db2.gz JDIZWPZLABWTQZ-VSZNYVQBSA-N 2 1 270.420 3.258 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1Cl)CC[NH2+]CC2 ZINC000424301128 236144138 /nfs/dbraw/zinc/14/41/38/236144138.db2.gz XCNHKENHFNUHGE-ZDUSSCGKSA-N 2 1 278.827 3.304 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CC45CC5)[C@H]3C2)cc1 ZINC000424326832 236150613 /nfs/dbraw/zinc/15/06/13/236150613.db2.gz PIYSOCRNJPVFFE-XSLAGTTESA-N 2 1 282.431 3.039 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425949010 236275447 /nfs/dbraw/zinc/27/54/47/236275447.db2.gz DEDNDVDVOWOYLV-NEPJUHHUSA-N 2 1 284.831 3.197 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000336235377 213066611 /nfs/dbraw/zinc/06/66/11/213066611.db2.gz DFOVKMBMXUNIDT-WDEREUQCSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000336235377 213066615 /nfs/dbraw/zinc/06/66/15/213066615.db2.gz DFOVKMBMXUNIDT-WDEREUQCSA-N 2 1 278.783 3.255 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297566600 200229545 /nfs/dbraw/zinc/22/95/45/200229545.db2.gz QWFRYRVUMXKDIH-ROUUACIJSA-N 2 1 283.419 3.460 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297566600 200229547 /nfs/dbraw/zinc/22/95/47/200229547.db2.gz QWFRYRVUMXKDIH-ROUUACIJSA-N 2 1 283.419 3.460 20 0 CGADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1F ZINC000298258925 200374383 /nfs/dbraw/zinc/37/43/83/200374383.db2.gz FHOLEIBRCCKCCW-INIZCTEOSA-N 2 1 293.361 3.372 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CC2)cc1F ZINC000177251611 189039405 /nfs/dbraw/zinc/03/94/05/189039405.db2.gz PPLSKTLYJVOKLU-LLVKDONJSA-N 2 1 273.355 3.208 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc3ccccc32)CC[N@H+]1C ZINC000177984029 189083026 /nfs/dbraw/zinc/08/30/26/189083026.db2.gz GJTVQMPWQPSELI-CRAIPNDOSA-N 2 1 282.431 3.455 20 0 CGADMP COCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000178040930 189087790 /nfs/dbraw/zinc/08/77/90/189087790.db2.gz MOSJVGIKCMGSBX-MRXNPFEDSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000178440830 189117184 /nfs/dbraw/zinc/11/71/84/189117184.db2.gz OFCITWKPPFCJMQ-ZDUSSCGKSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000178440830 189117185 /nfs/dbraw/zinc/11/71/85/189117185.db2.gz OFCITWKPPFCJMQ-ZDUSSCGKSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000178622043 189132219 /nfs/dbraw/zinc/13/22/19/189132219.db2.gz VNFASELMLVJRBA-SNVBAGLBSA-N 2 1 297.324 3.035 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000178703791 189138683 /nfs/dbraw/zinc/13/86/83/189138683.db2.gz DURPOOJFKGNUOE-KSSFIOAISA-N 2 1 283.419 3.413 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000178702231 189138796 /nfs/dbraw/zinc/13/87/96/189138796.db2.gz BNHHCOFHOIRXMJ-QWRGUYRKSA-N 2 1 292.452 3.252 20 0 CGADMP CC/C=C/CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342198983 216255946 /nfs/dbraw/zinc/25/59/46/216255946.db2.gz IIZNBMNWPCKHCD-WZDWLKHJSA-N 2 1 294.483 3.164 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCc2cccc(Cl)c2)CC[N@H+]1C ZINC000180462734 189256645 /nfs/dbraw/zinc/25/66/45/189256645.db2.gz TVTPHANYPPODMY-CZUORRHYSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173886 189290052 /nfs/dbraw/zinc/29/00/52/189290052.db2.gz NYEXTTMYZKYNOU-GZBFAFLISA-N 2 1 296.842 3.180 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000183232210 189351450 /nfs/dbraw/zinc/35/14/50/189351450.db2.gz LIXYJOLWKGNGDT-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000183232210 189351451 /nfs/dbraw/zinc/35/14/51/189351451.db2.gz LIXYJOLWKGNGDT-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCc1cc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000302032875 201311466 /nfs/dbraw/zinc/31/14/66/201311466.db2.gz CYFDKBMZJUXJII-QGZVFWFLSA-N 2 1 298.434 3.371 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000449089246 239171636 /nfs/dbraw/zinc/17/16/36/239171636.db2.gz JLQZJOXKGSGHOO-JLZZUVOBSA-N 2 1 294.389 3.285 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC000450750642 240067904 /nfs/dbraw/zinc/06/79/04/240067904.db2.gz BEYBZVSLFKZIFI-WMZOPIPTSA-N 2 1 294.483 3.213 20 0 CGADMP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc[nH+]1 ZINC000450813408 240096068 /nfs/dbraw/zinc/09/60/68/240096068.db2.gz SGMXVMQAFMTZSL-INIZCTEOSA-N 2 1 295.430 3.348 20 0 CGADMP C[N@@H+](CCC1=CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984901 240181672 /nfs/dbraw/zinc/18/16/72/240181672.db2.gz YTFVJHOATSPAML-SJPCQFCGSA-N 2 1 262.441 3.434 20 0 CGADMP C[NH+](CCC1=CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984901 240181678 /nfs/dbraw/zinc/18/16/78/240181678.db2.gz YTFVJHOATSPAML-SJPCQFCGSA-N 2 1 262.441 3.434 20 0 CGADMP C[NH+](CCC1=CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984901 240181682 /nfs/dbraw/zinc/18/16/82/240181682.db2.gz YTFVJHOATSPAML-SJPCQFCGSA-N 2 1 262.441 3.434 20 0 CGADMP CC(C)C[C@@]1(C)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000451287138 240266526 /nfs/dbraw/zinc/26/65/26/240266526.db2.gz FJKUVFOQZOWKNB-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@@]1(C)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000451287138 240266534 /nfs/dbraw/zinc/26/65/34/240266534.db2.gz FJKUVFOQZOWKNB-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@@]1(C)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000451287138 240266541 /nfs/dbraw/zinc/26/65/41/240266541.db2.gz FJKUVFOQZOWKNB-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000275499543 193058992 /nfs/dbraw/zinc/05/89/92/193058992.db2.gz MBHFSVYHEXFHNS-DLBZAZTESA-N 2 1 269.392 3.117 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000275648150 193095421 /nfs/dbraw/zinc/09/54/21/193095421.db2.gz CHSPEHIIEFURMG-UWWQBHOKSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000275648150 193095423 /nfs/dbraw/zinc/09/54/23/193095423.db2.gz CHSPEHIIEFURMG-UWWQBHOKSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000275648150 193095425 /nfs/dbraw/zinc/09/54/25/193095425.db2.gz CHSPEHIIEFURMG-UWWQBHOKSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000275674685 193101791 /nfs/dbraw/zinc/10/17/91/193101791.db2.gz VVMBZMQSRKWZED-OLZOCXBDSA-N 2 1 289.810 3.450 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C1CC(OC(C)C)C1 ZINC000459422925 242103073 /nfs/dbraw/zinc/10/30/73/242103073.db2.gz JFMMUSCXILFKOO-UHFFFAOYSA-N 2 1 293.455 3.114 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C1CC(OC(C)C)C1 ZINC000459422925 242103077 /nfs/dbraw/zinc/10/30/77/242103077.db2.gz JFMMUSCXILFKOO-UHFFFAOYSA-N 2 1 293.455 3.114 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459797945 242240861 /nfs/dbraw/zinc/24/08/61/242240861.db2.gz XGSSEOPUYZAOHP-NVXWUHKLSA-N 2 1 292.442 3.468 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000459743165 242204366 /nfs/dbraw/zinc/20/43/66/242204366.db2.gz WTANZAAAOFTCJP-ZDUSSCGKSA-N 2 1 290.382 3.393 20 0 CGADMP Cc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000459746922 242207673 /nfs/dbraw/zinc/20/76/73/242207673.db2.gz ZHIXAUKAUMPDNG-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(F)ccc23)CC[N@H+]1C ZINC000462896476 242374596 /nfs/dbraw/zinc/37/45/96/242374596.db2.gz UPBYSZONGRYVKT-YPMHNXCESA-N 2 1 273.355 3.269 20 0 CGADMP COc1cccc2c(NCC3CC[NH+](C)CC3)cc(C)[nH+]c12 ZINC000302839721 201572538 /nfs/dbraw/zinc/57/25/38/201572538.db2.gz ZNPMLDBQCPROJO-UHFFFAOYSA-N 2 1 299.418 3.306 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000478009394 243064249 /nfs/dbraw/zinc/06/42/49/243064249.db2.gz IPRDLJNJPSEVJP-BZSNNMDCSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000478009394 243064253 /nfs/dbraw/zinc/06/42/53/243064253.db2.gz IPRDLJNJPSEVJP-BZSNNMDCSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000478009394 243064260 /nfs/dbraw/zinc/06/42/60/243064260.db2.gz IPRDLJNJPSEVJP-BZSNNMDCSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000478009394 243064263 /nfs/dbraw/zinc/06/42/63/243064263.db2.gz IPRDLJNJPSEVJP-BZSNNMDCSA-N 2 1 296.499 3.245 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000479379704 243100186 /nfs/dbraw/zinc/10/01/86/243100186.db2.gz HNNYJNRZSFZWHA-NVXWUHKLSA-N 2 1 281.403 3.059 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)[C@H](C)C1 ZINC000481991597 243211620 /nfs/dbraw/zinc/21/16/20/243211620.db2.gz MDECSVWPUZIRSE-BIVLZKPYSA-N 2 1 266.473 3.379 20 0 CGADMP C[N@@H+](CCC[NH2+]C/C=C\c1ccncc1)C1CCCCC1 ZINC000486925356 243378943 /nfs/dbraw/zinc/37/89/43/243378943.db2.gz FKICGMNQDPFDEX-ALCCZGGFSA-N 2 1 287.451 3.339 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@H]1CC1(C)C ZINC000486965537 243388190 /nfs/dbraw/zinc/38/81/90/243388190.db2.gz JMUAGKKNPIMTME-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000124607003 370926297 /nfs/dbraw/zinc/92/62/97/370926297.db2.gz BXMLNUZVBMDAPT-DZKIICNBSA-N 2 1 296.480 3.146 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000124607003 370926300 /nfs/dbraw/zinc/92/63/00/370926300.db2.gz BXMLNUZVBMDAPT-DZKIICNBSA-N 2 1 296.480 3.146 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126562604 370945582 /nfs/dbraw/zinc/94/55/82/370945582.db2.gz DTVWCPCIQTWDFJ-OKZBNKHCSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000019913250 368782259 /nfs/dbraw/zinc/78/22/59/368782259.db2.gz IGMCZOFRGNVRBK-INIZCTEOSA-N 2 1 283.419 3.254 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000019943134 368788277 /nfs/dbraw/zinc/78/82/77/368788277.db2.gz MRPUXRVQQLSMAV-GFCCVEGCSA-N 2 1 270.367 3.347 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000034958913 368982791 /nfs/dbraw/zinc/98/27/91/368982791.db2.gz ZWMPQVKAAFHKGD-HZTRTUMWSA-N 2 1 258.409 3.005 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996570 369047226 /nfs/dbraw/zinc/04/72/26/369047226.db2.gz VJSSOMRHRWVQMD-HUUCEWRRSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996570 369047228 /nfs/dbraw/zinc/04/72/28/369047228.db2.gz VJSSOMRHRWVQMD-HUUCEWRRSA-N 2 1 298.352 3.422 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000036908060 369036574 /nfs/dbraw/zinc/03/65/74/369036574.db2.gz PDYJGBLRGLWQFP-GLJUWKHASA-N 2 1 285.435 3.029 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000035015184 368989951 /nfs/dbraw/zinc/98/99/51/368989951.db2.gz XTBQGVDHHALZGC-AWEZNQCLSA-N 2 1 276.424 3.139 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1OC ZINC000037197123 369075529 /nfs/dbraw/zinc/07/55/29/369075529.db2.gz OXLPWJQQQWMVIE-HNNXBMFYSA-N 2 1 278.440 3.324 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000037292663 369080091 /nfs/dbraw/zinc/08/00/91/369080091.db2.gz FHYQYYRKOJBCRE-USXIJHARSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000037292663 369080097 /nfs/dbraw/zinc/08/00/97/369080097.db2.gz FHYQYYRKOJBCRE-USXIJHARSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000037467812 369084333 /nfs/dbraw/zinc/08/43/33/369084333.db2.gz UNYJMNXCBWCELM-HNNXBMFYSA-N 2 1 272.436 3.429 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000037644370 369095702 /nfs/dbraw/zinc/09/57/02/369095702.db2.gz LEQXGMDLGTZQDD-ZLPCBKJTSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648954 369096060 /nfs/dbraw/zinc/09/60/60/369096060.db2.gz XDBRXTJPSUEANG-HUUCEWRRSA-N 2 1 284.447 3.310 20 0 CGADMP CCOc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000037678181 369099608 /nfs/dbraw/zinc/09/96/08/369099608.db2.gz LZFHFVYTGNSXED-INIZCTEOSA-N 2 1 290.451 3.439 20 0 CGADMP CCOc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000037678181 369099613 /nfs/dbraw/zinc/09/96/13/369099613.db2.gz LZFHFVYTGNSXED-INIZCTEOSA-N 2 1 290.451 3.439 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000037074634 369058556 /nfs/dbraw/zinc/05/85/56/369058556.db2.gz HHDMTSJTPLGOHH-JZIBPQBNSA-N 2 1 292.398 3.110 20 0 CGADMP c1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075700 369171811 /nfs/dbraw/zinc/17/18/11/369171811.db2.gz YUJMSLGHZLJJHT-KDOFPFPSSA-N 2 1 270.420 3.212 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000040592173 369160828 /nfs/dbraw/zinc/16/08/28/369160828.db2.gz GCZDCZMCKCUNQN-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000040592173 369160837 /nfs/dbraw/zinc/16/08/37/369160837.db2.gz GCZDCZMCKCUNQN-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000276150228 193226061 /nfs/dbraw/zinc/22/60/61/193226061.db2.gz DUCOEYSRDXNQHI-UHFFFAOYSA-N 2 1 288.435 3.087 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])C(c1ccccc1)c1ccccc1 ZINC000423369305 296146272 /nfs/dbraw/zinc/14/62/72/296146272.db2.gz OFGCOSMEQXMGHC-LSDHHAIUSA-N 2 1 268.404 3.144 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000065976578 369687004 /nfs/dbraw/zinc/68/70/04/369687004.db2.gz SYPDULKHWPAXHQ-UHFFFAOYSA-N 2 1 283.419 3.212 20 0 CGADMP CCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000090721348 370066452 /nfs/dbraw/zinc/06/64/52/370066452.db2.gz GSLXWBCKZXXIJC-ZBFHGGJFSA-N 2 1 276.424 3.048 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000092066973 370093272 /nfs/dbraw/zinc/09/32/72/370093272.db2.gz LMUDJWKSVDRFNX-GDBMZVCRSA-N 2 1 276.449 3.197 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000092066973 370093280 /nfs/dbraw/zinc/09/32/80/370093280.db2.gz LMUDJWKSVDRFNX-GDBMZVCRSA-N 2 1 276.449 3.197 20 0 CGADMP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000092066973 370093285 /nfs/dbraw/zinc/09/32/85/370093285.db2.gz LMUDJWKSVDRFNX-GDBMZVCRSA-N 2 1 276.449 3.197 20 0 CGADMP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000092066973 370093292 /nfs/dbraw/zinc/09/32/92/370093292.db2.gz LMUDJWKSVDRFNX-GDBMZVCRSA-N 2 1 276.449 3.197 20 0 CGADMP C1=CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000092066243 370093804 /nfs/dbraw/zinc/09/38/04/370093804.db2.gz IKGAFDHMGLYAOG-BQFCYCMXSA-N 2 1 274.452 3.291 20 0 CGADMP C1=CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000092066243 370093809 /nfs/dbraw/zinc/09/38/09/370093809.db2.gz IKGAFDHMGLYAOG-BQFCYCMXSA-N 2 1 274.452 3.291 20 0 CGADMP C1=CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000092066243 370093811 /nfs/dbraw/zinc/09/38/11/370093811.db2.gz IKGAFDHMGLYAOG-BQFCYCMXSA-N 2 1 274.452 3.291 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000093644285 370151491 /nfs/dbraw/zinc/15/14/91/370151491.db2.gz JJXSVPXUIHRWKV-UKRRQHHQSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000093644285 370151496 /nfs/dbraw/zinc/15/14/96/370151496.db2.gz JJXSVPXUIHRWKV-UKRRQHHQSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1F ZINC000093644285 370151499 /nfs/dbraw/zinc/15/14/99/370151499.db2.gz JJXSVPXUIHRWKV-UKRRQHHQSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1F ZINC000093644285 370151504 /nfs/dbraw/zinc/15/15/04/370151504.db2.gz JJXSVPXUIHRWKV-UKRRQHHQSA-N 2 1 264.388 3.049 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021300 370165653 /nfs/dbraw/zinc/16/56/53/370165653.db2.gz KSEYDDCDLXVMJZ-SFHVURJKSA-N 2 1 270.420 3.138 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)ccc2n1 ZINC000097862702 370255886 /nfs/dbraw/zinc/25/58/86/370255886.db2.gz VIVJWMUGGDVJMT-KRWDZBQOSA-N 2 1 285.435 3.348 20 0 CGADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000103474056 370329224 /nfs/dbraw/zinc/32/92/24/370329224.db2.gz POKWRBQHZHPEQR-KRWDZBQOSA-N 2 1 281.403 3.324 20 0 CGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000103474056 370329229 /nfs/dbraw/zinc/32/92/29/370329229.db2.gz POKWRBQHZHPEQR-KRWDZBQOSA-N 2 1 281.403 3.324 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000111240455 370394679 /nfs/dbraw/zinc/39/46/79/370394679.db2.gz UQPPVAGWFWBVEQ-UHFFFAOYSA-N 2 1 264.388 3.132 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000111240455 370394685 /nfs/dbraw/zinc/39/46/85/370394685.db2.gz UQPPVAGWFWBVEQ-UHFFFAOYSA-N 2 1 264.388 3.132 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000119088188 370642954 /nfs/dbraw/zinc/64/29/54/370642954.db2.gz IRSAQFKRYBGOCA-UHFFFAOYSA-N 2 1 293.361 3.382 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000119088188 370642959 /nfs/dbraw/zinc/64/29/59/370642959.db2.gz IRSAQFKRYBGOCA-UHFFFAOYSA-N 2 1 293.361 3.382 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102095 371011664 /nfs/dbraw/zinc/01/16/64/371011664.db2.gz JAZXUNNVPGEBRD-MBNYWOFBSA-N 2 1 298.377 3.421 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130232286 371020621 /nfs/dbraw/zinc/02/06/21/371020621.db2.gz QFEOKHVJPQNRCM-ARFHVFGLSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccc([C@@H]2CCCC[N@H+]2CCn2ccnc2)cc1 ZINC000131458539 371108657 /nfs/dbraw/zinc/10/86/57/371108657.db2.gz LDHOZSOGQSGFNW-KRWDZBQOSA-N 2 1 269.392 3.419 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135199280 371400096 /nfs/dbraw/zinc/40/00/96/371400096.db2.gz VAGZOXWAFUFBLI-JZXOWHBKSA-N 2 1 270.420 3.280 20 0 CGADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CC(C)(C)C[NH3+] ZINC000220325061 376207468 /nfs/dbraw/zinc/20/74/68/376207468.db2.gz MIDVKYOAAVSHOK-UHFFFAOYSA-N 2 1 290.329 3.002 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000136187305 371466811 /nfs/dbraw/zinc/46/68/11/371466811.db2.gz AVZMYFGHHFBIMZ-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000149387507 371527840 /nfs/dbraw/zinc/52/78/40/371527840.db2.gz JZKGXKPGRJYYKH-QGZVFWFLSA-N 2 1 258.409 3.056 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000149302690 371527867 /nfs/dbraw/zinc/52/78/67/371527867.db2.gz XMXMCNHPGQRVJD-CABCVRRESA-N 2 1 276.424 3.220 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000149302690 371527868 /nfs/dbraw/zinc/52/78/68/371527868.db2.gz XMXMCNHPGQRVJD-CABCVRRESA-N 2 1 276.424 3.220 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCCCC1 ZINC000149714887 371529324 /nfs/dbraw/zinc/52/93/24/371529324.db2.gz XERRWJLAEXZRQA-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000151095507 371567595 /nfs/dbraw/zinc/56/75/95/371567595.db2.gz NCDBLVJTBYRVTA-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cccc(OC)c2)C1 ZINC000151102842 371568475 /nfs/dbraw/zinc/56/84/75/371568475.db2.gz PIWOBGAXGYRJTD-QAPCUYQASA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000287214375 371622002 /nfs/dbraw/zinc/62/20/02/371622002.db2.gz XDKDNXLHURAEGP-SOLBZPMBSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000287214375 371622006 /nfs/dbraw/zinc/62/20/06/371622006.db2.gz XDKDNXLHURAEGP-SOLBZPMBSA-N 2 1 290.451 3.054 20 0 CGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000421823955 371646765 /nfs/dbraw/zinc/64/67/65/371646765.db2.gz GEAOYDFULGZOCQ-LLVKDONJSA-N 2 1 293.798 3.204 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000152477953 371698982 /nfs/dbraw/zinc/69/89/82/371698982.db2.gz LMEIMZUVGJJDRC-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000152512887 371699905 /nfs/dbraw/zinc/69/99/05/371699905.db2.gz UGMOYNWLLNRMDR-YJBOKZPZSA-N 2 1 290.451 3.151 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422637374 371754188 /nfs/dbraw/zinc/75/41/88/371754188.db2.gz OLDPTPNBBOHBIT-GFCCVEGCSA-N 2 1 296.361 3.177 20 0 CGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422701941 371758778 /nfs/dbraw/zinc/75/87/78/371758778.db2.gz CTKQNMCUSRZJPS-DOTOQJQBSA-N 2 1 282.472 3.094 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1 ZINC000422731326 371771689 /nfs/dbraw/zinc/77/16/89/371771689.db2.gz NMQBOTFEEMGAHO-SUMWQHHRSA-N 2 1 288.822 3.388 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422731906 371772784 /nfs/dbraw/zinc/77/27/84/371772784.db2.gz OFZBZNVJKZLUEF-MSOLQXFVSA-N 2 1 284.378 3.409 20 0 CGADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1C ZINC000422741540 371779008 /nfs/dbraw/zinc/77/90/08/371779008.db2.gz OTCCGQDZMVVYBC-HZPDHXFCSA-N 2 1 271.408 3.063 20 0 CGADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422757119 371786191 /nfs/dbraw/zinc/78/61/91/371786191.db2.gz JNBNVSYBTLEIFS-CRAIPNDOSA-N 2 1 268.404 3.043 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337327656 214010320 /nfs/dbraw/zinc/01/03/20/214010320.db2.gz DKGVNOXTLDSYAR-QAPCUYQASA-N 2 1 287.451 3.182 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000337337364 214015230 /nfs/dbraw/zinc/01/52/30/214015230.db2.gz OMIDJQQPGJXLFU-UHFFFAOYSA-N 2 1 288.357 3.479 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000337337364 214015232 /nfs/dbraw/zinc/01/52/32/214015232.db2.gz OMIDJQQPGJXLFU-UHFFFAOYSA-N 2 1 288.357 3.479 20 0 CGADMP COc1ccc([C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000422779722 371800315 /nfs/dbraw/zinc/80/03/15/371800315.db2.gz GKSXGSIFPWMUOJ-KBRIMQKVSA-N 2 1 276.424 3.122 20 0 CGADMP Fc1cccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422778865 371801901 /nfs/dbraw/zinc/80/19/01/371801901.db2.gz FEVDDZYWGVBVGM-OALUTQOASA-N 2 1 298.405 3.451 20 0 CGADMP CC(C)COCCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422788263 371808906 /nfs/dbraw/zinc/80/89/06/371808906.db2.gz QWNHHRNMIFFKKA-ROUUACIJSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422791620 371810910 /nfs/dbraw/zinc/81/09/10/371810910.db2.gz QLHNDRYVRUWHGK-IIAWOOMASA-N 2 1 278.465 3.287 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422837953 371834968 /nfs/dbraw/zinc/83/49/68/371834968.db2.gz NFYOAYWTWREGME-IPYPFGDCSA-N 2 1 296.842 3.228 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccccc2)CCC1)c1c[nH+]ccc1N ZINC000422807904 371823303 /nfs/dbraw/zinc/82/33/03/371823303.db2.gz KGFNNNMDVSUCOR-AWEZNQCLSA-N 2 1 281.403 3.267 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000422860094 371843277 /nfs/dbraw/zinc/84/32/77/371843277.db2.gz HYHZBCGNUMICFT-IGEOTXOUSA-N 3 1 298.434 3.101 20 0 CGADMP CSc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422878926 371851568 /nfs/dbraw/zinc/85/15/68/371851568.db2.gz LJZPCABFYVDPFY-LLVKDONJSA-N 2 1 273.405 3.067 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](CC)[NH+]2CCCC2)C12CCCC2 ZINC000344088104 217045857 /nfs/dbraw/zinc/04/58/57/217045857.db2.gz NKYMXUWSBZTFGU-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C1CCC([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422894355 371859419 /nfs/dbraw/zinc/85/94/19/371859419.db2.gz SYJJSFGKEKLMFD-IYXRBSQSSA-N 2 1 261.413 3.360 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCn2ccc3ccccc32)[C@H](C)C1 ZINC000154585472 371859900 /nfs/dbraw/zinc/85/99/00/371859900.db2.gz SNDSBGBLWDAOJA-SJLPKXTDSA-N 2 1 299.462 3.351 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422940493 371881444 /nfs/dbraw/zinc/88/14/44/371881444.db2.gz SWJAZCBBCLHCCY-CZUORRHYSA-N 2 1 296.842 3.087 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC000154871374 371886910 /nfs/dbraw/zinc/88/69/10/371886910.db2.gz LRPXCJLBMRBAOC-CYBMUJFWSA-N 2 1 280.378 3.383 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC000154871374 371886918 /nfs/dbraw/zinc/88/69/18/371886918.db2.gz LRPXCJLBMRBAOC-CYBMUJFWSA-N 2 1 280.378 3.383 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC000154871374 371886925 /nfs/dbraw/zinc/88/69/25/371886925.db2.gz LRPXCJLBMRBAOC-CYBMUJFWSA-N 2 1 280.378 3.383 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000154871374 371886935 /nfs/dbraw/zinc/88/69/35/371886935.db2.gz LRPXCJLBMRBAOC-CYBMUJFWSA-N 2 1 280.378 3.383 20 0 CGADMP C[C@H]([NH2+]CCc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422945713 371884471 /nfs/dbraw/zinc/88/44/71/371884471.db2.gz NTKOYIXFNAIZMA-KSSFIOAISA-N 2 1 268.404 3.112 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000422953972 371890474 /nfs/dbraw/zinc/89/04/74/371890474.db2.gz GSGLOHDMNMQQMN-VWYCJHECSA-N 2 1 286.341 3.143 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)c(F)c(F)c1 ZINC000422954906 371891253 /nfs/dbraw/zinc/89/12/53/371891253.db2.gz IMWNKYXSKLBTLD-QDEIUJJKSA-N 2 1 284.325 3.038 20 0 CGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CC(c2ccccc2)C1 ZINC000422966608 371895179 /nfs/dbraw/zinc/89/51/79/371895179.db2.gz NWBMFSNRMXORJB-BTWUCOSQSA-N 2 1 294.442 3.481 20 0 CGADMP COCCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCCCC1 ZINC000423065338 371942742 /nfs/dbraw/zinc/94/27/42/371942742.db2.gz UDIOMGOVUQPPRY-CQSZACIVSA-N 2 1 291.439 3.132 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000423011461 371914366 /nfs/dbraw/zinc/91/43/66/371914366.db2.gz ZRMRLJLTEQONEU-RCCFBDPRSA-N 3 1 295.515 3.006 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1F ZINC000423028066 371924347 /nfs/dbraw/zinc/92/43/47/371924347.db2.gz FSKULPLHSRVBNT-BONVTDFDSA-N 2 1 284.806 3.374 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H]1CCCCO1 ZINC000423041549 371928720 /nfs/dbraw/zinc/92/87/20/371928720.db2.gz JKYGNGRYJQVKAG-RANZSIQMSA-N 2 1 288.435 3.027 20 0 CGADMP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000423048159 371933269 /nfs/dbraw/zinc/93/32/69/371933269.db2.gz IFEIYSRJDYRFIH-ZACQAIPSSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H]([NH2+]C1CC(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423093913 371958622 /nfs/dbraw/zinc/95/86/22/371958622.db2.gz AOTJTJUBYQUNKL-YMVOAIQMSA-N 2 1 296.817 3.455 20 0 CGADMP C[N@H+]1CC[C@@H]2CCN(C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306032 371960497 /nfs/dbraw/zinc/96/04/97/371960497.db2.gz IIJSZRPZFSYEKG-YXQAPJRESA-N 2 1 292.373 3.004 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423104129 371967277 /nfs/dbraw/zinc/96/72/77/371967277.db2.gz GSKDHUYLZJTNMW-PMPSAXMXSA-N 2 1 258.409 3.258 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000156293125 371973064 /nfs/dbraw/zinc/97/30/64/371973064.db2.gz MBCWPKOMHSPMTF-MLGOLLRUSA-N 2 1 278.827 3.259 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290432362 371987973 /nfs/dbraw/zinc/98/79/73/371987973.db2.gz LHJKCPCQYAVDQS-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290432362 371987977 /nfs/dbraw/zinc/98/79/77/371987977.db2.gz LHJKCPCQYAVDQS-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290432362 371987979 /nfs/dbraw/zinc/98/79/79/371987979.db2.gz LHJKCPCQYAVDQS-WMZOPIPTSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1c[nH+]ccc1N ZINC000423165852 371997385 /nfs/dbraw/zinc/99/73/85/371997385.db2.gz QNJSYVWRRJGKLR-STQMWFEESA-N 2 1 261.413 3.361 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000290553787 372017294 /nfs/dbraw/zinc/01/72/94/372017294.db2.gz RYPIMJGWMVLCRV-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000290553787 372017297 /nfs/dbraw/zinc/01/72/97/372017297.db2.gz RYPIMJGWMVLCRV-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccs1 ZINC000423191204 372017798 /nfs/dbraw/zinc/01/77/98/372017798.db2.gz SLTWXKNAVRFCIV-HNNXBMFYSA-N 2 1 289.448 3.364 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000290575886 372021703 /nfs/dbraw/zinc/02/17/03/372021703.db2.gz UDBJAWALEFMSEB-CPUCHLNUSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000290575886 372021711 /nfs/dbraw/zinc/02/17/11/372021711.db2.gz UDBJAWALEFMSEB-CPUCHLNUSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000290575886 372021719 /nfs/dbraw/zinc/02/17/19/372021719.db2.gz UDBJAWALEFMSEB-CPUCHLNUSA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000290575886 372021726 /nfs/dbraw/zinc/02/17/26/372021726.db2.gz UDBJAWALEFMSEB-CPUCHLNUSA-N 2 1 278.415 3.201 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1O ZINC000423198179 372022949 /nfs/dbraw/zinc/02/29/49/372022949.db2.gz DNEYHUIIDGTGEM-CYBMUJFWSA-N 2 1 292.423 3.103 20 0 CGADMP [NH3+]CC[NH2+][C@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000423176757 372006571 /nfs/dbraw/zinc/00/65/71/372006571.db2.gz CZJBRPJJAKYCAB-GOSISDBHSA-N 2 1 286.394 3.438 20 0 CGADMP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423180504 372008765 /nfs/dbraw/zinc/00/87/65/372008765.db2.gz FASJHPNWUMQGEP-FVQBIDKESA-N 2 1 278.827 3.318 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000158275974 372062447 /nfs/dbraw/zinc/06/24/47/372062447.db2.gz SBEHPWBQKMZEOR-MJGOQNOKSA-N 2 1 286.463 3.248 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000423517246 372070486 /nfs/dbraw/zinc/07/04/86/372070486.db2.gz BKSBHLHVIKCWGF-CQSZACIVSA-N 2 1 262.397 3.025 20 0 CGADMP CCOC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000159236821 372119532 /nfs/dbraw/zinc/11/95/32/372119532.db2.gz UNEPQOFCNRZQQI-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP CC(C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159027590 372100748 /nfs/dbraw/zinc/10/07/48/372100748.db2.gz HLAPITKTVASMFV-QZTJIDSGSA-N 2 1 272.436 3.381 20 0 CGADMP CC(C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159027590 372100754 /nfs/dbraw/zinc/10/07/54/372100754.db2.gz HLAPITKTVASMFV-QZTJIDSGSA-N 2 1 272.436 3.381 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000292652574 372198960 /nfs/dbraw/zinc/19/89/60/372198960.db2.gz BVMGQLRHVSFMCI-GOSISDBHSA-N 2 1 281.403 3.157 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002704 372301662 /nfs/dbraw/zinc/30/16/62/372301662.db2.gz VNXQHZLLPILHLH-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002704 372301670 /nfs/dbraw/zinc/30/16/70/372301670.db2.gz VNXQHZLLPILHLH-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002704 372301677 /nfs/dbraw/zinc/30/16/77/372301677.db2.gz VNXQHZLLPILHLH-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002704 372301684 /nfs/dbraw/zinc/30/16/84/372301684.db2.gz VNXQHZLLPILHLH-DLBZAZTESA-N 2 1 290.838 3.355 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000161673241 372345596 /nfs/dbraw/zinc/34/55/96/372345596.db2.gz MTZLTPHFDIYHNV-RLFYNMQTSA-N 2 1 290.451 3.294 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2[nH+]1 ZINC000044725805 541873661 /nfs/dbraw/zinc/87/36/61/541873661.db2.gz KGWZFVCWUYLISE-CYBMUJFWSA-N 2 1 267.376 3.192 20 0 CGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000162138487 372376329 /nfs/dbraw/zinc/37/63/29/372376329.db2.gz XGZKEQMYYSALLU-INIZCTEOSA-N 2 1 290.455 3.039 20 0 CGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000162138487 372376335 /nfs/dbraw/zinc/37/63/35/372376335.db2.gz XGZKEQMYYSALLU-INIZCTEOSA-N 2 1 290.455 3.039 20 0 CGADMP Cc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000162785140 372420344 /nfs/dbraw/zinc/42/03/44/372420344.db2.gz JFFVQDOPAKAORW-SFHVURJKSA-N 2 1 281.403 3.467 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C(C)C)CC2)oc1C ZINC000162737463 372415332 /nfs/dbraw/zinc/41/53/32/372415332.db2.gz DMAXTWXEOGSGQQ-ZDUSSCGKSA-N 2 1 293.455 3.138 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC23CCCC3)[C@@H](C)C1 ZINC000429422042 372364703 /nfs/dbraw/zinc/36/47/03/372364703.db2.gz YJBBPKVBMYTEOD-ULQDDVLXSA-N 2 1 294.483 3.046 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)oc21 ZINC000293363692 372366421 /nfs/dbraw/zinc/36/64/21/372366421.db2.gz HMKQCLLMPFBJEF-QWHCGFSZSA-N 2 1 290.407 3.290 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4cc[nH]c43)C2)C1 ZINC000293650449 372436666 /nfs/dbraw/zinc/43/66/66/372436666.db2.gz MZZANSPHSUAQRQ-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC000293650449 372436674 /nfs/dbraw/zinc/43/66/74/372436674.db2.gz MZZANSPHSUAQRQ-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000163347510 372461677 /nfs/dbraw/zinc/46/16/77/372461677.db2.gz FPDJVHSQCBAQHJ-KRWDZBQOSA-N 2 1 284.407 3.122 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000163347510 372461681 /nfs/dbraw/zinc/46/16/81/372461681.db2.gz FPDJVHSQCBAQHJ-KRWDZBQOSA-N 2 1 284.407 3.122 20 0 CGADMP CCN(CC[C@@H]1CCC[N@H+]1C)Cc1cccc(F)c1 ZINC000163668507 372485950 /nfs/dbraw/zinc/48/59/50/372485950.db2.gz KIFUNUWHAZJEIY-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(F)c1 ZINC000163668507 372485951 /nfs/dbraw/zinc/48/59/51/372485951.db2.gz KIFUNUWHAZJEIY-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(F)c1 ZINC000163668507 372485952 /nfs/dbraw/zinc/48/59/52/372485952.db2.gz KIFUNUWHAZJEIY-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(F)c1 ZINC000163668507 372485953 /nfs/dbraw/zinc/48/59/53/372485953.db2.gz KIFUNUWHAZJEIY-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(F)c1 ZINC000163668507 372485954 /nfs/dbraw/zinc/48/59/54/372485954.db2.gz KIFUNUWHAZJEIY-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000165272609 372548181 /nfs/dbraw/zinc/54/81/81/372548181.db2.gz OJKVVTSFYFRUFG-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419373 372567078 /nfs/dbraw/zinc/56/70/78/372567078.db2.gz BGNWLQMEVLAVGH-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419373 372567084 /nfs/dbraw/zinc/56/70/84/372567084.db2.gz BGNWLQMEVLAVGH-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000166284162 372569148 /nfs/dbraw/zinc/56/91/48/372569148.db2.gz UYGBQERXORCOSC-GLJUWKHASA-N 2 1 290.451 3.117 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c21 ZINC000165219952 372546106 /nfs/dbraw/zinc/54/61/06/372546106.db2.gz WFAMZYBIPDFLSE-GDBMZVCRSA-N 2 1 285.435 3.091 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CCOCC1 ZINC000168319574 372611614 /nfs/dbraw/zinc/61/16/14/372611614.db2.gz OCQCUBJDHWDUEI-JKSUJKDBSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+](Cc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435381159 372756254 /nfs/dbraw/zinc/75/62/54/372756254.db2.gz RVKRKAOHUOLNGT-AWEZNQCLSA-N 2 1 266.816 3.304 20 0 CGADMP CC[N@@H+](Cc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435381159 372756256 /nfs/dbraw/zinc/75/62/56/372756256.db2.gz RVKRKAOHUOLNGT-AWEZNQCLSA-N 2 1 266.816 3.304 20 0 CGADMP CC[N@@H+](Cc1ccc(SC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435389558 372758834 /nfs/dbraw/zinc/75/88/34/372758834.db2.gz LNPNGCMROKKGIR-OAHLLOKOSA-N 2 1 278.465 3.373 20 0 CGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435389368 372758947 /nfs/dbraw/zinc/75/89/47/372758947.db2.gz KMJBFZDZDUKFRY-JEZWAEDTSA-N 2 1 258.409 3.164 20 0 CGADMP CC[N@@H+](Cc1cccc(OC(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435392149 372759342 /nfs/dbraw/zinc/75/93/42/372759342.db2.gz GFSUTWQTJRZJJI-QGZVFWFLSA-N 2 1 290.451 3.438 20 0 CGADMP C[NH2+]CCC[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000435877076 372822546 /nfs/dbraw/zinc/82/25/46/372822546.db2.gz NDFRIOXNQRHPQH-OAHLLOKOSA-N 2 1 260.425 3.459 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000438093663 372876358 /nfs/dbraw/zinc/87/63/58/372876358.db2.gz LRHABRHEHJTAHK-IPMKNSEASA-N 2 1 286.463 3.427 20 0 CGADMP C[N@H+](Cc1cc2c(cccc2F)[nH]1)CC1CC[NH+](C)CC1 ZINC000438111670 372888711 /nfs/dbraw/zinc/88/87/11/372888711.db2.gz BACXHBLXLDVHDO-UHFFFAOYSA-N 2 1 289.398 3.081 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000438343441 372931034 /nfs/dbraw/zinc/93/10/34/372931034.db2.gz SBTDSZGARIPUCF-MRXNPFEDSA-N 2 1 298.434 3.444 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000438343240 372931079 /nfs/dbraw/zinc/93/10/79/372931079.db2.gz SBTDSZGARIPUCF-INIZCTEOSA-N 2 1 298.434 3.444 20 0 CGADMP CC[C@@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000438476391 372958986 /nfs/dbraw/zinc/95/89/86/372958986.db2.gz FSPWHWVTBJUOEZ-HZPDHXFCSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cn1 ZINC000353534647 220142529 /nfs/dbraw/zinc/14/25/29/220142529.db2.gz IKSFIQCNSPAXGF-RHSMWYFYSA-N 2 1 293.430 3.239 20 0 CGADMP Cc1cnccc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000296325294 373091253 /nfs/dbraw/zinc/09/12/53/373091253.db2.gz HIFCPZIAIAZPNT-INIZCTEOSA-N 2 1 275.440 3.134 20 0 CGADMP CC[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000442920593 373128611 /nfs/dbraw/zinc/12/86/11/373128611.db2.gz HDMHGIPNJXKQEW-HOTGVXAUSA-N 2 1 260.425 3.241 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)cc2)C1 ZINC000173904753 373213560 /nfs/dbraw/zinc/21/35/60/373213560.db2.gz LZTKLYHNIZBRSY-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)cc2)C1 ZINC000173904753 373213568 /nfs/dbraw/zinc/21/35/68/373213568.db2.gz LZTKLYHNIZBRSY-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000173904753 373213575 /nfs/dbraw/zinc/21/35/75/373213575.db2.gz LZTKLYHNIZBRSY-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000173904753 373213584 /nfs/dbraw/zinc/21/35/84/373213584.db2.gz LZTKLYHNIZBRSY-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP COC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000173923771 373215555 /nfs/dbraw/zinc/21/55/55/373215555.db2.gz MTOCJPWEERAFTE-HOTGVXAUSA-N 2 1 290.451 3.186 20 0 CGADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)CC1CCC1 ZINC000444779537 373272715 /nfs/dbraw/zinc/27/27/15/373272715.db2.gz YWTFHJDSNQSRLK-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000174221580 373270262 /nfs/dbraw/zinc/27/02/62/373270262.db2.gz PRBHAJQRUWYGHM-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000174221580 373270265 /nfs/dbraw/zinc/27/02/65/373270265.db2.gz PRBHAJQRUWYGHM-QGZVFWFLSA-N 2 1 260.425 3.159 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000445312476 373309409 /nfs/dbraw/zinc/30/94/09/373309409.db2.gz CHWPNGHDISVFIS-HUUCEWRRSA-N 2 1 272.436 3.120 20 0 CGADMP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCc2cncn2C)C1 ZINC000297799230 373281954 /nfs/dbraw/zinc/28/19/54/373281954.db2.gz XGMNPSAJIYDLNA-MAUKXSAKSA-N 2 1 283.419 3.436 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)c1ccccc1 ZINC000298466388 373336104 /nfs/dbraw/zinc/33/61/04/373336104.db2.gz OSPIDKYKPGDYOK-QGZVFWFLSA-N 2 1 285.435 3.309 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000298500929 373341901 /nfs/dbraw/zinc/34/19/01/373341901.db2.gz QKXKRZWBIPZCDV-UHFFFAOYSA-N 2 1 278.465 3.242 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000174628412 373346080 /nfs/dbraw/zinc/34/60/80/373346080.db2.gz IWDNXDAKKLDOOX-DOMZBBRYSA-N 2 1 266.816 3.160 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000174628307 373346138 /nfs/dbraw/zinc/34/61/38/373346138.db2.gz SGFNWHFWGFJJGS-DOMZBBRYSA-N 2 1 266.816 3.160 20 0 CGADMP CCS[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000300631383 373638151 /nfs/dbraw/zinc/63/81/51/373638151.db2.gz AMXWYQGQWHPYHD-RBSFLKMASA-N 2 1 270.486 3.125 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300078682 373618126 /nfs/dbraw/zinc/61/81/26/373618126.db2.gz MVKUZDYHQRIBPG-BPUTZDHNSA-N 2 1 262.441 3.053 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3ccoc32)C1 ZINC000449327857 373681165 /nfs/dbraw/zinc/68/11/65/373681165.db2.gz DCVVLVLVUQDVBX-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3ccoc32)C1 ZINC000449327857 373681173 /nfs/dbraw/zinc/68/11/73/373681173.db2.gz DCVVLVLVUQDVBX-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP Cc1cc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000302604860 373904076 /nfs/dbraw/zinc/90/40/76/373904076.db2.gz ZKNCEBKBCRHATB-YJBOKZPZSA-N 2 1 281.403 3.465 20 0 CGADMP Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000302314094 373851062 /nfs/dbraw/zinc/85/10/62/373851062.db2.gz PRVXKKZGDUYJAV-OAHLLOKOSA-N 2 1 261.413 3.457 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783521 373912858 /nfs/dbraw/zinc/91/28/58/373912858.db2.gz PPDNTXACDLUOFI-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783521 373912867 /nfs/dbraw/zinc/91/28/67/373912867.db2.gz PPDNTXACDLUOFI-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP CCc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000450252463 374022907 /nfs/dbraw/zinc/02/29/07/374022907.db2.gz IGPMYXMXTUACSC-HOTGVXAUSA-N 2 1 295.430 3.258 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc2nccn21 ZINC000180433145 374006444 /nfs/dbraw/zinc/00/64/44/374006444.db2.gz KOSIULZTERKCBT-CQSZACIVSA-N 2 1 277.371 3.281 20 0 CGADMP C[C@@H]1Cc2ccccc2CN1Cc1cccc2nccn21 ZINC000180433145 374006446 /nfs/dbraw/zinc/00/64/46/374006446.db2.gz KOSIULZTERKCBT-CQSZACIVSA-N 2 1 277.371 3.281 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000450856189 374182459 /nfs/dbraw/zinc/18/24/59/374182459.db2.gz OOLMJMGYQIDXAR-MRXNPFEDSA-N 2 1 250.430 3.293 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC/C=C/c2ccccc2)C1 ZINC000450472563 374153826 /nfs/dbraw/zinc/15/38/26/374153826.db2.gz LTPNHLBILLPFSA-DBEXCURXSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450472563 374153834 /nfs/dbraw/zinc/15/38/34/374153834.db2.gz LTPNHLBILLPFSA-DBEXCURXSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450472563 374153844 /nfs/dbraw/zinc/15/38/44/374153844.db2.gz LTPNHLBILLPFSA-DBEXCURXSA-N 2 1 272.436 3.364 20 0 CGADMP C1CC(C([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)C1 ZINC000311689018 374253374 /nfs/dbraw/zinc/25/33/74/374253374.db2.gz OICRILGQQDFCTL-HOTGVXAUSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000312018083 374266006 /nfs/dbraw/zinc/26/60/06/374266006.db2.gz VMCQPJODXXSXFA-JTQLQIEISA-N 2 1 281.762 3.335 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000079344950 541920628 /nfs/dbraw/zinc/92/06/28/541920628.db2.gz GJOZUVNVHPJRTK-MRXNPFEDSA-N 2 1 252.446 3.134 20 0 CGADMP c1ccc2c(C[NH+]3CCC([NH2+]CC4CC4)CC3)ccnc2c1 ZINC000317146849 374338644 /nfs/dbraw/zinc/33/86/44/374338644.db2.gz KWVLDUKYPJBXAS-UHFFFAOYSA-N 2 1 295.430 3.199 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183387139 374409290 /nfs/dbraw/zinc/40/92/90/374409290.db2.gz TYLNHFDHVPGMSW-ROUUACIJSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000453369572 374455487 /nfs/dbraw/zinc/45/54/87/374455487.db2.gz VDLLDSXBCZGXRM-BTFYYFJDSA-N 2 1 273.424 3.138 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC000453369572 374455493 /nfs/dbraw/zinc/45/54/93/374455493.db2.gz VDLLDSXBCZGXRM-BTFYYFJDSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1nc(C)cs1 ZINC000184424077 374522034 /nfs/dbraw/zinc/52/20/34/374522034.db2.gz UEVWOSJRCKWHGJ-AWEZNQCLSA-N 2 1 292.452 3.478 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000459490784 374808673 /nfs/dbraw/zinc/80/86/73/374808673.db2.gz YUAVANVYQSDBIW-SJORKVTESA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459728063 374817297 /nfs/dbraw/zinc/81/72/97/374817297.db2.gz COGXJJOXLKYWRC-QXSJWSMHSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000094357708 541986312 /nfs/dbraw/zinc/98/63/12/541986312.db2.gz FTEJOAJNCQHGEQ-QZTJIDSGSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000094357708 541986316 /nfs/dbraw/zinc/98/63/16/541986316.db2.gz FTEJOAJNCQHGEQ-QZTJIDSGSA-N 2 1 270.420 3.280 20 0 CGADMP Cc1ccc2ncc(CN(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000334559180 374858174 /nfs/dbraw/zinc/85/81/74/374858174.db2.gz ADYWGGMRGPCGQK-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)[C@H]3CCN(C)[C@@H](C)C3)cc2c1 ZINC000334559180 374858179 /nfs/dbraw/zinc/85/81/79/374858179.db2.gz ADYWGGMRGPCGQK-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)[C@H]3CCN(C)[C@@H](C)C3)cc2c1 ZINC000334559180 374858189 /nfs/dbraw/zinc/85/81/89/374858189.db2.gz ADYWGGMRGPCGQK-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000467543475 374975755 /nfs/dbraw/zinc/97/57/55/374975755.db2.gz OQODSUQDFVTDGJ-GOEBONIOSA-N 2 1 250.430 3.197 20 0 CGADMP CCC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000473018768 375041649 /nfs/dbraw/zinc/04/16/49/375041649.db2.gz DEHDPEOINWFNEP-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000472593151 375026320 /nfs/dbraw/zinc/02/63/20/375026320.db2.gz ZULQWWQYWAZTOG-BZUAXINKSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1F ZINC000335023406 375077218 /nfs/dbraw/zinc/07/72/18/375077218.db2.gz IGAHOJREGMTUBH-SJORKVTESA-N 2 1 270.351 3.369 20 0 CGADMP CC(C)[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000474276543 375093380 /nfs/dbraw/zinc/09/33/80/375093380.db2.gz OGIGIMHYUFJWSE-OKZBNKHCSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000474276543 375093387 /nfs/dbraw/zinc/09/33/87/375093387.db2.gz OGIGIMHYUFJWSE-OKZBNKHCSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)cc2c1C ZINC000473125206 375043333 /nfs/dbraw/zinc/04/33/33/375043333.db2.gz HFZFCCKSLJHGJN-HNNXBMFYSA-N 2 1 285.435 3.168 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)cc2c1C ZINC000473125206 375043335 /nfs/dbraw/zinc/04/33/35/375043335.db2.gz HFZFCCKSLJHGJN-HNNXBMFYSA-N 2 1 285.435 3.168 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000335149712 375176668 /nfs/dbraw/zinc/17/66/68/375176668.db2.gz VLKQKYCVFAKOCY-HIFRSBDPSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000335149712 375176672 /nfs/dbraw/zinc/17/66/72/375176672.db2.gz VLKQKYCVFAKOCY-HIFRSBDPSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000335149712 375176676 /nfs/dbraw/zinc/17/66/76/375176676.db2.gz VLKQKYCVFAKOCY-HIFRSBDPSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000335149712 375176683 /nfs/dbraw/zinc/17/66/83/375176683.db2.gz VLKQKYCVFAKOCY-HIFRSBDPSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@H](C(C)C)C2)C1 ZINC000488451106 375309962 /nfs/dbraw/zinc/30/99/62/375309962.db2.gz UIXWOEBLYUQHHZ-ZACQAIPSSA-N 2 1 298.540 3.474 20 0 CGADMP C[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1[NH3+] ZINC000335333789 375264154 /nfs/dbraw/zinc/26/41/54/375264154.db2.gz GKPUWTZSTQBSPR-NHYWBVRUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1[NH3+] ZINC000335333789 375264161 /nfs/dbraw/zinc/26/41/61/375264161.db2.gz GKPUWTZSTQBSPR-NHYWBVRUSA-N 2 1 289.810 3.057 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335355180 375265744 /nfs/dbraw/zinc/26/57/44/375265744.db2.gz DOQYRCCMKIQKFJ-OAHLLOKOSA-N 2 1 283.419 3.464 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000335688703 375347288 /nfs/dbraw/zinc/34/72/88/375347288.db2.gz HBRKEJWHIHGRMR-NEPJUHHUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCSCc2ccccc2)CCN1C ZINC000190052560 375472776 /nfs/dbraw/zinc/47/27/76/375472776.db2.gz IDSFYSZCIFVSOC-DOTOQJQBSA-N 2 1 292.492 3.334 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSCc2ccccc2)CC[N@@H+]1C ZINC000190052560 375472779 /nfs/dbraw/zinc/47/27/79/375472779.db2.gz IDSFYSZCIFVSOC-DOTOQJQBSA-N 2 1 292.492 3.334 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSCc2ccccc2)CC[N@H+]1C ZINC000190052560 375472786 /nfs/dbraw/zinc/47/27/86/375472786.db2.gz IDSFYSZCIFVSOC-DOTOQJQBSA-N 2 1 292.492 3.334 20 0 CGADMP Fc1cccc2c1CC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335830375 375466427 /nfs/dbraw/zinc/46/64/27/375466427.db2.gz JQMZFFIODJOSPZ-WTNGLUPJSA-N 2 1 288.410 3.420 20 0 CGADMP C[C@H]1CC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000190512512 375516866 /nfs/dbraw/zinc/51/68/66/375516866.db2.gz ILNSRUACOGAPAL-KSZLIROESA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000116386623 542004196 /nfs/dbraw/zinc/00/41/96/542004196.db2.gz AEAOOEWDQAUZLQ-ZWKOTPCHSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H](NC1CC[NH+](C)CC1)c1cc2cccc(F)c2o1 ZINC000336063887 375656633 /nfs/dbraw/zinc/65/66/33/375656633.db2.gz KLOAHVNTCQRYLQ-LLVKDONJSA-N 2 1 276.355 3.317 20 0 CGADMP COC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192024425 375689897 /nfs/dbraw/zinc/68/98/97/375689897.db2.gz CTQWYKCNVFHNHK-INIZCTEOSA-N 2 1 299.418 3.039 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ncccc2CC)C1 ZINC000507498917 375708857 /nfs/dbraw/zinc/70/88/57/375708857.db2.gz XKEIYQBPBUFZGC-HUUCEWRRSA-N 2 1 275.440 3.027 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ncccc2CC)C1 ZINC000507498917 375708862 /nfs/dbraw/zinc/70/88/62/375708862.db2.gz XKEIYQBPBUFZGC-HUUCEWRRSA-N 2 1 275.440 3.027 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000508534543 375749225 /nfs/dbraw/zinc/74/92/25/375749225.db2.gz PFIRVSQRAIRZDS-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000508534543 375749226 /nfs/dbraw/zinc/74/92/26/375749226.db2.gz PFIRVSQRAIRZDS-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000508534543 375749228 /nfs/dbraw/zinc/74/92/28/375749228.db2.gz PFIRVSQRAIRZDS-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179857 375753225 /nfs/dbraw/zinc/75/32/25/375753225.db2.gz JQNOLXSFKOBDSD-SJCJKPOMSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179857 375753231 /nfs/dbraw/zinc/75/32/31/375753231.db2.gz JQNOLXSFKOBDSD-SJCJKPOMSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179857 375753235 /nfs/dbraw/zinc/75/32/35/375753235.db2.gz JQNOLXSFKOBDSD-SJCJKPOMSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000336179857 375753242 /nfs/dbraw/zinc/75/32/42/375753242.db2.gz JQNOLXSFKOBDSD-SJCJKPOMSA-N 2 1 289.398 3.079 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000508979843 375766137 /nfs/dbraw/zinc/76/61/37/375766137.db2.gz SICYNQIFBFSYRJ-UIBIWLFHSA-N 2 1 292.442 3.481 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)CC1CCC1)[NH+]1CCCC1 ZINC000128905082 542053184 /nfs/dbraw/zinc/05/31/84/542053184.db2.gz WBCWXWLGCORNHG-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000192954129 375808012 /nfs/dbraw/zinc/80/80/12/375808012.db2.gz VNOJBFIBEDCASD-QGZVFWFLSA-N 2 1 296.418 3.027 20 0 CGADMP Cc1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000192954129 375808015 /nfs/dbraw/zinc/80/80/15/375808015.db2.gz VNOJBFIBEDCASD-QGZVFWFLSA-N 2 1 296.418 3.027 20 0 CGADMP C[C@H](C[NH2+]Cc1sccc1Cl)C[NH+]1CCCC1 ZINC000193012599 375815387 /nfs/dbraw/zinc/81/53/87/375815387.db2.gz FQIWCDRNKJJDRM-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000336537720 375815414 /nfs/dbraw/zinc/81/54/14/375815414.db2.gz AHHBLZIJZGYREH-NHYWBVRUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000336537720 375815419 /nfs/dbraw/zinc/81/54/19/375815419.db2.gz AHHBLZIJZGYREH-NHYWBVRUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261542133 296237689 /nfs/dbraw/zinc/23/76/89/296237689.db2.gz BVTJWGSHOPHFRE-SMDDNHRTSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261542133 296237690 /nfs/dbraw/zinc/23/76/90/296237690.db2.gz BVTJWGSHOPHFRE-SMDDNHRTSA-N 2 1 297.240 3.181 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000336791475 375941433 /nfs/dbraw/zinc/94/14/33/375941433.db2.gz NPQWNJQQPOARDE-CYBMUJFWSA-N 2 1 266.454 3.411 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000336791475 375941447 /nfs/dbraw/zinc/94/14/47/375941447.db2.gz NPQWNJQQPOARDE-CYBMUJFWSA-N 2 1 266.454 3.411 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000336847299 376009833 /nfs/dbraw/zinc/00/98/33/376009833.db2.gz DKSQDPGOWIFVQU-AWEZNQCLSA-N 2 1 287.407 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000336830588 375990696 /nfs/dbraw/zinc/99/06/96/375990696.db2.gz MNSZOQONSDAYML-GFCCVEGCSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000336830588 375990705 /nfs/dbraw/zinc/99/07/05/375990705.db2.gz MNSZOQONSDAYML-GFCCVEGCSA-N 2 1 289.345 3.244 20 0 CGADMP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211946627 376136264 /nfs/dbraw/zinc/13/62/64/376136264.db2.gz GFNUYTHTQUAAFU-KBXCAEBGSA-N 2 1 272.436 3.343 20 0 CGADMP CCCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000211947844 376136362 /nfs/dbraw/zinc/13/63/62/376136362.db2.gz OJLRDUJLAHDXAM-UHFFFAOYSA-N 2 1 258.409 3.097 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)CC2)[C@H](C)C1 ZINC000536857914 376137321 /nfs/dbraw/zinc/13/73/21/376137321.db2.gz MIVHFENRJHUXIJ-TVFCKZIOSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000536874257 376140146 /nfs/dbraw/zinc/14/01/46/376140146.db2.gz AZPNXGPYRGGJIW-ZLVKTETGSA-N 2 1 264.457 3.274 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(C)c1 ZINC000536911686 376142941 /nfs/dbraw/zinc/14/29/41/376142941.db2.gz UOFXNSNVIMWLGY-JFIYKMOQSA-N 2 1 290.451 3.082 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000536698633 376124094 /nfs/dbraw/zinc/12/40/94/376124094.db2.gz UYENZCLOFFTRPH-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000536698633 376124101 /nfs/dbraw/zinc/12/41/01/376124101.db2.gz UYENZCLOFFTRPH-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000536698633 376124109 /nfs/dbraw/zinc/12/41/09/376124109.db2.gz UYENZCLOFFTRPH-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP CC1(C)C[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000222049687 376228315 /nfs/dbraw/zinc/22/83/15/376228315.db2.gz ZCTAAUDCFSTANL-KRWDZBQOSA-N 2 1 286.463 3.329 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000538398313 376238542 /nfs/dbraw/zinc/23/85/42/376238542.db2.gz HLYUAUAZFOLHJD-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C12CCCCC2 ZINC000224164420 376271717 /nfs/dbraw/zinc/27/17/17/376271717.db2.gz HWVQKABOELEVEE-VVLHAWIVSA-N 2 1 294.483 3.187 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCCCC2 ZINC000224164420 376271725 /nfs/dbraw/zinc/27/17/25/376271725.db2.gz HWVQKABOELEVEE-VVLHAWIVSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCc2c1c(F)ccc2F)C[NH+]1CCCC1 ZINC000338179134 376275439 /nfs/dbraw/zinc/27/54/39/376275439.db2.gz AYMFCEVKAAZUAV-BLLLJJGKSA-N 2 1 294.389 3.274 20 0 CGADMP C[C@H](CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000226332090 376353436 /nfs/dbraw/zinc/35/34/36/376353436.db2.gz BVURVCWMNAWNMW-HLLBOEOZSA-N 2 1 260.425 3.239 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000226437107 376360312 /nfs/dbraw/zinc/36/03/12/376360312.db2.gz JLMNWUGQNMAHIO-QFBILLFUSA-N 2 1 286.463 3.256 20 0 CGADMP CCC[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000540505253 376378474 /nfs/dbraw/zinc/37/84/74/376378474.db2.gz QIGQXXYUJZUTQX-FGTMMUONSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000540505253 376378479 /nfs/dbraw/zinc/37/84/79/376378479.db2.gz QIGQXXYUJZUTQX-FGTMMUONSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000228476555 376438667 /nfs/dbraw/zinc/43/86/67/376438667.db2.gz VNZVBHVIHVMEOM-CGTJXYLNSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000338689122 376481911 /nfs/dbraw/zinc/48/19/11/376481911.db2.gz REHQEGNPBHUMFW-INIZCTEOSA-N 2 1 263.429 3.386 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]21 ZINC000230126848 376486847 /nfs/dbraw/zinc/48/68/47/376486847.db2.gz CSKXICPJRLZXAN-SLEUVZQESA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]21 ZINC000230126848 376486852 /nfs/dbraw/zinc/48/68/52/376486852.db2.gz CSKXICPJRLZXAN-SLEUVZQESA-N 2 1 282.790 3.038 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000542702409 376570543 /nfs/dbraw/zinc/57/05/43/376570543.db2.gz VMFZZAAHGHXHDR-WSNITJDQSA-N 2 1 294.389 3.252 20 0 CGADMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1Cl ZINC000234289203 376615445 /nfs/dbraw/zinc/61/54/45/376615445.db2.gz ZKGYISBPFYKGGP-UHFFFAOYSA-N 2 1 254.805 3.065 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000234311356 376615635 /nfs/dbraw/zinc/61/56/35/376615635.db2.gz AFGUMKSMJVHYRM-MRXNPFEDSA-N 2 1 260.425 3.186 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cccc(F)c2F)C[C@@H]1C ZINC000543208561 376619783 /nfs/dbraw/zinc/61/97/83/376619783.db2.gz UDFRBYXUMFXKCR-DZGCQCFKSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(F)c2F)C[C@@H]1C ZINC000543208561 376619790 /nfs/dbraw/zinc/61/97/90/376619790.db2.gz UDFRBYXUMFXKCR-DZGCQCFKSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(F)c2F)C[C@@H]1C ZINC000543208561 376619795 /nfs/dbraw/zinc/61/97/95/376619795.db2.gz UDFRBYXUMFXKCR-DZGCQCFKSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(F)c2F)C[C@@H]1C ZINC000543208561 376619801 /nfs/dbraw/zinc/61/98/01/376619801.db2.gz UDFRBYXUMFXKCR-DZGCQCFKSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(COC)cc2)C[C@H]1C ZINC000339009729 376628851 /nfs/dbraw/zinc/62/88/51/376628851.db2.gz HHYCYQJUTUKKKM-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(COC)cc2)C[C@H]1C ZINC000339009729 376628857 /nfs/dbraw/zinc/62/88/57/376628857.db2.gz HHYCYQJUTUKKKM-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(COC)cc2)C[C@H]1C ZINC000339009729 376628862 /nfs/dbraw/zinc/62/88/62/376628862.db2.gz HHYCYQJUTUKKKM-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1 ZINC000339068108 376658119 /nfs/dbraw/zinc/65/81/19/376658119.db2.gz NZKYKNRFMICNSP-HOTGVXAUSA-N 2 1 288.435 3.060 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1 ZINC000339068109 376658378 /nfs/dbraw/zinc/65/83/78/376658378.db2.gz NZKYKNRFMICNSP-HZPDHXFCSA-N 2 1 288.435 3.060 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000544348383 376723095 /nfs/dbraw/zinc/72/30/95/376723095.db2.gz HYHBAUQDMXMJOP-CQSZACIVSA-N 2 1 286.423 3.442 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449113 376819411 /nfs/dbraw/zinc/81/94/11/376819411.db2.gz NKGAWFQNIYFSJW-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449113 376819415 /nfs/dbraw/zinc/81/94/15/376819415.db2.gz NKGAWFQNIYFSJW-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449113 376819420 /nfs/dbraw/zinc/81/94/20/376819420.db2.gz NKGAWFQNIYFSJW-HZPDHXFCSA-N 2 1 260.425 3.330 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCCC2)[C@@H](C)C1 ZINC000245435605 376816102 /nfs/dbraw/zinc/81/61/02/376816102.db2.gz QNRNPGJJXSNXAK-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CCCC2)[C@@H](C)C1 ZINC000245435605 376816109 /nfs/dbraw/zinc/81/61/09/376816109.db2.gz QNRNPGJJXSNXAK-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CCCC2)[C@@H](C)C1 ZINC000245435605 376816115 /nfs/dbraw/zinc/81/61/15/376816115.db2.gz QNRNPGJJXSNXAK-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC000245743483 376898485 /nfs/dbraw/zinc/89/84/85/376898485.db2.gz MGJJMJBZMQNJTD-WMLDXEAASA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC000245743483 376898496 /nfs/dbraw/zinc/89/84/96/376898496.db2.gz MGJJMJBZMQNJTD-WMLDXEAASA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC000245743483 376898504 /nfs/dbraw/zinc/89/85/04/376898504.db2.gz MGJJMJBZMQNJTD-WMLDXEAASA-N 2 1 278.415 3.296 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245599704 376864826 /nfs/dbraw/zinc/86/48/26/376864826.db2.gz MDYKJHGHVIGOIS-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245599704 376864837 /nfs/dbraw/zinc/86/48/37/376864837.db2.gz MDYKJHGHVIGOIS-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245599704 376864841 /nfs/dbraw/zinc/86/48/41/376864841.db2.gz MDYKJHGHVIGOIS-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000557506621 376939880 /nfs/dbraw/zinc/93/98/80/376939880.db2.gz VIAJOQYUTGHEHZ-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000557506621 376939885 /nfs/dbraw/zinc/93/98/85/376939885.db2.gz VIAJOQYUTGHEHZ-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245942448 376941085 /nfs/dbraw/zinc/94/10/85/376941085.db2.gz AYFNRPQKKFQDLL-YJBOKZPZSA-N 2 1 290.451 3.324 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246024748 376954209 /nfs/dbraw/zinc/95/42/09/376954209.db2.gz WOWUGHGCRGNACZ-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000246046864 376956337 /nfs/dbraw/zinc/95/63/37/376956337.db2.gz XRYFCPHCBKXVPO-HDMKZQKVSA-N 2 1 272.436 3.160 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000557904950 376963400 /nfs/dbraw/zinc/96/34/00/376963400.db2.gz KWPNVELAELQZJK-HUUCEWRRSA-N 2 1 278.415 3.249 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000558501292 377014046 /nfs/dbraw/zinc/01/40/46/377014046.db2.gz KHKDEFXNZKSWBJ-JYJNAYRXSA-N 2 1 262.441 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000558501292 377014050 /nfs/dbraw/zinc/01/40/50/377014050.db2.gz KHKDEFXNZKSWBJ-JYJNAYRXSA-N 2 1 262.441 3.497 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246400216 377024291 /nfs/dbraw/zinc/02/42/91/377024291.db2.gz AGPNXRJLWIRGJM-CVEARBPZSA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246400216 377024303 /nfs/dbraw/zinc/02/43/03/377024303.db2.gz AGPNXRJLWIRGJM-CVEARBPZSA-N 2 1 288.435 3.174 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558695487 377032762 /nfs/dbraw/zinc/03/27/62/377032762.db2.gz MULQKCVOURPMFD-DTJSUFBGSA-N 2 1 276.468 3.418 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000246475660 377037428 /nfs/dbraw/zinc/03/74/28/377037428.db2.gz WODFVNPSQNEGMY-IMJJTQAJSA-N 2 1 263.429 3.386 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340309463 376995299 /nfs/dbraw/zinc/99/52/99/376995299.db2.gz JNQOFZOEEWJVMP-VNQPRFMTSA-N 2 1 278.465 3.163 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340309463 376995311 /nfs/dbraw/zinc/99/53/11/376995311.db2.gz JNQOFZOEEWJVMP-VNQPRFMTSA-N 2 1 278.465 3.163 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2)c1 ZINC000340522832 377119814 /nfs/dbraw/zinc/11/98/14/377119814.db2.gz ZHIGMCVXAXFLEL-AWEZNQCLSA-N 2 1 286.423 3.101 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000246985257 377131303 /nfs/dbraw/zinc/13/13/03/377131303.db2.gz JYYPVGHCVZSCFT-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC000246996088 377134044 /nfs/dbraw/zinc/13/40/44/377134044.db2.gz KKDUPEYKAPNAOI-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP CCOCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247009810 377139144 /nfs/dbraw/zinc/13/91/44/377139144.db2.gz QIMXYMUUOFZZNF-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247009810 377139148 /nfs/dbraw/zinc/13/91/48/377139148.db2.gz QIMXYMUUOFZZNF-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247009810 377139155 /nfs/dbraw/zinc/13/91/55/377139155.db2.gz QIMXYMUUOFZZNF-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247042150 377145575 /nfs/dbraw/zinc/14/55/75/377145575.db2.gz MTZLTPHFDIYHNV-RVKKMQEKSA-N 2 1 290.451 3.294 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2F)[C@@H](C)C1 ZINC000247048700 377147714 /nfs/dbraw/zinc/14/77/14/377147714.db2.gz ORFYXWXYRXZIPT-YOEHRIQHSA-N 2 1 292.442 3.423 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000247093644 377156614 /nfs/dbraw/zinc/15/66/14/377156614.db2.gz OFPVVFGNZOANTP-BURFUSLBSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Sc1ccccc1 ZINC000247214244 377175930 /nfs/dbraw/zinc/17/59/30/377175930.db2.gz VZJCGQFUQPMVAJ-KLZNWCGWSA-N 2 1 292.492 3.486 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000247225628 377179986 /nfs/dbraw/zinc/17/99/86/377179986.db2.gz WQTZUNJDAWPVGE-STQMWFEESA-N 2 1 281.469 3.086 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCC2)C1 ZINC000247246286 377183775 /nfs/dbraw/zinc/18/37/75/377183775.db2.gz DRPXSHYOKYJIBM-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000247246286 377183786 /nfs/dbraw/zinc/18/37/86/377183786.db2.gz DRPXSHYOKYJIBM-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000247246286 377183792 /nfs/dbraw/zinc/18/37/92/377183792.db2.gz DRPXSHYOKYJIBM-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSc3ccccc3)CC[C@H]21 ZINC000247886592 377243748 /nfs/dbraw/zinc/24/37/48/377243748.db2.gz DHCAHSVGFRNDTL-DOTOQJQBSA-N 2 1 290.476 3.195 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSc3ccccc3)CC[C@H]21 ZINC000247886592 377243756 /nfs/dbraw/zinc/24/37/56/377243756.db2.gz DHCAHSVGFRNDTL-DOTOQJQBSA-N 2 1 290.476 3.195 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSc3ccccc3)CC[C@H]21 ZINC000247886592 377243762 /nfs/dbraw/zinc/24/37/62/377243762.db2.gz DHCAHSVGFRNDTL-DOTOQJQBSA-N 2 1 290.476 3.195 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c[nH]c21 ZINC000248066134 377263935 /nfs/dbraw/zinc/26/39/35/377263935.db2.gz MGMDNSJSPCFYEU-GOEBONIOSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248155176 377272409 /nfs/dbraw/zinc/27/24/09/377272409.db2.gz RHQDHZSOXILJPM-HYVNUMGLSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248155176 377272414 /nfs/dbraw/zinc/27/24/14/377272414.db2.gz RHQDHZSOXILJPM-HYVNUMGLSA-N 2 1 258.409 3.164 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248155176 377272421 /nfs/dbraw/zinc/27/24/21/377272421.db2.gz RHQDHZSOXILJPM-HYVNUMGLSA-N 2 1 258.409 3.164 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161630053 542159857 /nfs/dbraw/zinc/15/98/57/542159857.db2.gz SYSFVUIBTJOGCO-INMHGKMJSA-N 2 1 286.419 3.117 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161630053 542159861 /nfs/dbraw/zinc/15/98/61/542159861.db2.gz SYSFVUIBTJOGCO-INMHGKMJSA-N 2 1 286.419 3.117 20 0 CGADMP C[C@H]([NH2+][C@@H]1C=CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248614673 377365285 /nfs/dbraw/zinc/36/52/85/377365285.db2.gz YOMDBWMBNXTHSF-ARFHVFGLSA-N 2 1 262.441 3.338 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000161612323 542160328 /nfs/dbraw/zinc/16/03/28/542160328.db2.gz BFBCJXHTNKGSRU-HUUCEWRRSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000161612323 542160333 /nfs/dbraw/zinc/16/03/33/542160333.db2.gz BFBCJXHTNKGSRU-HUUCEWRRSA-N 2 1 264.438 3.081 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000248567310 377350872 /nfs/dbraw/zinc/35/08/72/377350872.db2.gz NQGQLRKEZLNAJT-BBRMVZONSA-N 2 1 280.843 3.468 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000563135860 377407861 /nfs/dbraw/zinc/40/78/61/377407861.db2.gz VEIKRQDDNMPAGX-WOJBJXKFSA-N 2 1 292.426 3.395 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563136427 377408488 /nfs/dbraw/zinc/40/84/88/377408488.db2.gz VNDZJZGAMMTUPS-QGZVFWFLSA-N 2 1 286.444 3.477 20 0 CGADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000162209997 542163738 /nfs/dbraw/zinc/16/37/38/542163738.db2.gz MMXBINJEQXASRO-QGZVFWFLSA-N 2 1 293.455 3.109 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000162209997 542163743 /nfs/dbraw/zinc/16/37/43/542163743.db2.gz MMXBINJEQXASRO-QGZVFWFLSA-N 2 1 293.455 3.109 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000162209997 542163749 /nfs/dbraw/zinc/16/37/49/542163749.db2.gz MMXBINJEQXASRO-QGZVFWFLSA-N 2 1 293.455 3.109 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000563443558 377467490 /nfs/dbraw/zinc/46/74/90/377467490.db2.gz URRJPVVGXBKFDO-HOTGVXAUSA-N 2 1 264.457 3.277 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093515538 249038163 /nfs/dbraw/zinc/03/81/63/249038163.db2.gz TXJFDTJTCDXYOB-SJLPKXTDSA-N 3 1 295.515 3.151 20 0 CGADMP Fc1ccccc1C1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000037648916 249002999 /nfs/dbraw/zinc/00/29/99/249002999.db2.gz VPJRATAUOKNWAD-WLYUNCDWSA-N 2 1 288.410 3.146 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000037644399 249003157 /nfs/dbraw/zinc/00/31/57/249003157.db2.gz AMUXVXMMEHJZJV-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166685065 542175427 /nfs/dbraw/zinc/17/54/27/542175427.db2.gz NQCIDWMUFCHNSV-BPQIPLTHSA-N 2 1 272.436 3.315 20 0 CGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000275901125 249066710 /nfs/dbraw/zinc/06/67/10/249066710.db2.gz SEWSFZJXGRZDOB-MRXNPFEDSA-N 2 1 262.372 3.128 20 0 CGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312747846 249082901 /nfs/dbraw/zinc/08/29/01/249082901.db2.gz QKKKQALWFVHUPH-IONNQARKSA-N 2 1 279.236 3.272 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C(C)C ZINC000360973587 249113587 /nfs/dbraw/zinc/11/35/87/249113587.db2.gz KNSIQFAOFYRYGT-OKZBNKHCSA-N 2 1 296.499 3.290 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422909092 249127290 /nfs/dbraw/zinc/12/72/90/249127290.db2.gz ZVRCCQMQIJFQRK-KXBFYZLASA-N 2 1 298.430 3.133 20 0 CGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422908617 249127733 /nfs/dbraw/zinc/12/77/33/249127733.db2.gz DKMUQPUGCQQSGL-INIZCTEOSA-N 3 1 291.483 3.134 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CCSCC1 ZINC000250076058 377548471 /nfs/dbraw/zinc/54/84/71/377548471.db2.gz ONYFDRABGNWORE-ZBFHGGJFSA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CCSCC1 ZINC000250076058 377548477 /nfs/dbraw/zinc/54/84/77/377548477.db2.gz ONYFDRABGNWORE-ZBFHGGJFSA-N 2 1 284.513 3.372 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCc2ccc(Cl)cc2)C1 ZINC000459549061 249156051 /nfs/dbraw/zinc/15/60/51/249156051.db2.gz CIJRXKPCMNKBFB-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000469862272 249160639 /nfs/dbraw/zinc/16/06/39/249160639.db2.gz MXGZYZNWYHAZHY-LSDHHAIUSA-N 2 1 276.424 3.035 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000250566980 377562649 /nfs/dbraw/zinc/56/26/49/377562649.db2.gz FAHWDGOYZCXIOZ-CABCVRRESA-N 2 1 260.425 3.412 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000515357080 249208826 /nfs/dbraw/zinc/20/88/26/249208826.db2.gz STMSCSJJPOKBLU-BCDXTJNWSA-N 2 1 270.420 3.039 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000514760689 249187525 /nfs/dbraw/zinc/18/75/25/249187525.db2.gz UADKSNGBFLYBKR-OIISXLGYSA-N 2 1 264.457 3.300 20 0 CGADMP COC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000518359917 249279018 /nfs/dbraw/zinc/27/90/18/249279018.db2.gz ARHGPMAHEPRMJR-HNNXBMFYSA-N 2 1 284.831 3.005 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251702576 377596342 /nfs/dbraw/zinc/59/63/42/377596342.db2.gz OEWXPBDYBFGQLX-TUAOUCFPSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251702576 377596347 /nfs/dbraw/zinc/59/63/47/377596347.db2.gz OEWXPBDYBFGQLX-TUAOUCFPSA-N 2 1 268.351 3.085 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000251778692 377597502 /nfs/dbraw/zinc/59/75/02/377597502.db2.gz RZTPLXACWULQIW-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(Cl)cc2)C1 ZINC000251778692 377597511 /nfs/dbraw/zinc/59/75/11/377597511.db2.gz RZTPLXACWULQIW-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP C[C@H]1CCC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251859882 377600852 /nfs/dbraw/zinc/60/08/52/377600852.db2.gz PTMSPQZMIRBYLN-WDFJATGCSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000251861848 377601032 /nfs/dbraw/zinc/60/10/32/377601032.db2.gz SXCFFKOZARWNDY-MGLUKCQKSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252169294 377617378 /nfs/dbraw/zinc/61/73/78/377617378.db2.gz QYFBBOKDQUPUAO-WCVJEAGWSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252169294 377617380 /nfs/dbraw/zinc/61/73/80/377617380.db2.gz QYFBBOKDQUPUAO-WCVJEAGWSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000252195454 377617432 /nfs/dbraw/zinc/61/74/32/377617432.db2.gz VLJANJCVZDVPPY-SWCHFVSRSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000252712678 377655084 /nfs/dbraw/zinc/65/50/84/377655084.db2.gz NBMKWJLTDUTXJW-KCPJHIHWSA-N 2 1 294.439 3.292 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000252712678 377655094 /nfs/dbraw/zinc/65/50/94/377655094.db2.gz NBMKWJLTDUTXJW-KCPJHIHWSA-N 2 1 294.439 3.292 20 0 CGADMP CCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252872984 377666769 /nfs/dbraw/zinc/66/67/69/377666769.db2.gz UKHWHEZEZJEBLL-SZMVWBNQSA-N 2 1 288.435 3.035 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000574845458 377717458 /nfs/dbraw/zinc/71/74/58/377717458.db2.gz DKNAQZWOHDJULE-CQSZACIVSA-N 2 1 278.415 3.208 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000574845458 377717464 /nfs/dbraw/zinc/71/74/64/377717464.db2.gz DKNAQZWOHDJULE-CQSZACIVSA-N 2 1 278.415 3.208 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000254968781 377719061 /nfs/dbraw/zinc/71/90/61/377719061.db2.gz NERBCXKZYAIKRN-NQHOJNORSA-N 2 1 287.382 3.270 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000342811492 377812221 /nfs/dbraw/zinc/81/22/21/377812221.db2.gz UQRRMNVIPRDNHG-TZMCWYRMSA-N 2 1 296.842 3.311 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000342811492 377812228 /nfs/dbraw/zinc/81/22/28/377812228.db2.gz UQRRMNVIPRDNHG-TZMCWYRMSA-N 2 1 296.842 3.311 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261615014 377828676 /nfs/dbraw/zinc/82/86/76/377828676.db2.gz FNDHTALWBMYKOS-SFHVURJKSA-N 2 1 284.403 3.019 20 0 CGADMP CC[N@@H+](CCSCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262032147 377880648 /nfs/dbraw/zinc/88/06/48/377880648.db2.gz XFJLIFSCDOJCLV-QGZVFWFLSA-N 2 1 292.492 3.384 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C12CCCCC2 ZINC000262033415 377881519 /nfs/dbraw/zinc/88/15/19/377881519.db2.gz OGZZFUWLTOEPDZ-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000262045905 377881549 /nfs/dbraw/zinc/88/15/49/377881549.db2.gz PQSWGWIRORVEHV-RHSMWYFYSA-N 2 1 276.424 3.078 20 0 CGADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)Cc1ccsc1 ZINC000262037094 377882734 /nfs/dbraw/zinc/88/27/34/377882734.db2.gz XVOFWQUSLQERTP-HIFRSBDPSA-N 2 1 266.454 3.001 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000262097160 377886914 /nfs/dbraw/zinc/88/69/14/377886914.db2.gz VICGYWKGQYJYJQ-ROUUACIJSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262137846 377887916 /nfs/dbraw/zinc/88/79/16/377887916.db2.gz YVRSZWJOVXFUAM-KBAYOESNSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262134574 377888558 /nfs/dbraw/zinc/88/85/58/377888558.db2.gz YNNUPRHALFCUOM-YJBOKZPZSA-N 2 1 290.426 3.395 20 0 CGADMP c1ccc2c(c1)CCC[C@]21CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262281313 377892569 /nfs/dbraw/zinc/89/25/69/377892569.db2.gz USIAMAKGYHXWPI-HXUWFJFHSA-N 2 1 298.474 3.356 20 0 CGADMP Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261797860 377855724 /nfs/dbraw/zinc/85/57/24/377855724.db2.gz OXXLSEOKXAREOJ-QGZVFWFLSA-N 2 1 294.389 3.004 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000261796742 377855849 /nfs/dbraw/zinc/85/58/49/377855849.db2.gz NWONLAXWRGLXAI-GOSISDBHSA-N 2 1 297.402 3.045 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000261796742 377855853 /nfs/dbraw/zinc/85/58/53/377855853.db2.gz NWONLAXWRGLXAI-GOSISDBHSA-N 2 1 297.402 3.045 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261827376 377859031 /nfs/dbraw/zinc/85/90/31/377859031.db2.gz ITSCGKQZLWWIRK-RYUDHWBXSA-N 2 1 266.816 3.072 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](CC1CC[NH2+]CC1)[C@@H]2C ZINC000261829499 377859818 /nfs/dbraw/zinc/85/98/18/377859818.db2.gz IXTUTAXCOJCNRK-ZIAGYGMSSA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)c1 ZINC000576027170 378007832 /nfs/dbraw/zinc/00/78/32/378007832.db2.gz PFRXDBJCXCGZJI-BEFAXECRSA-N 2 1 298.430 3.052 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000577870426 378019289 /nfs/dbraw/zinc/01/92/89/378019289.db2.gz DXSAMVOQWOAOFF-UWVGGRQHSA-N 2 1 266.772 3.302 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578533349 378078870 /nfs/dbraw/zinc/07/88/70/378078870.db2.gz AWMKNFGUDHVHPQ-NHZBNJEXSA-N 2 1 294.389 3.298 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000268838471 378127272 /nfs/dbraw/zinc/12/72/72/378127272.db2.gz VCZNWPKFGFSEBK-GOSISDBHSA-N 2 1 283.419 3.111 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1C ZINC000268843233 378129031 /nfs/dbraw/zinc/12/90/31/378129031.db2.gz IOLVBOCLTBOWMV-SFHVURJKSA-N 2 1 299.418 3.257 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C12CCCCC2 ZINC000344010293 378151599 /nfs/dbraw/zinc/15/15/99/378151599.db2.gz HNLGPVUVJBPDFT-IXDOHACOSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+](CC[NH2+]C[C@@H]1CC=CCC1)C1CCCCC1 ZINC000343785168 378092479 /nfs/dbraw/zinc/09/24/79/378092479.db2.gz RHAVGRLLNVKUKI-OAHLLOKOSA-N 2 1 250.430 3.197 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@@H]1CC=CCC1)C1CCCCC1 ZINC000343785168 378092488 /nfs/dbraw/zinc/09/24/88/378092488.db2.gz RHAVGRLLNVKUKI-OAHLLOKOSA-N 2 1 250.430 3.197 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000268918871 378152911 /nfs/dbraw/zinc/15/29/11/378152911.db2.gz PVKJBXKKQRUMRS-CPUCHLNUSA-N 2 1 278.415 3.249 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccncc2)CC1 ZINC000266046218 190226038 /nfs/dbraw/zinc/22/60/38/190226038.db2.gz XQGBRDXRORQDMR-UHFFFAOYSA-N 2 1 275.440 3.026 20 0 CGADMP Cc1cc2cc(C[NH2+]CC3=CC[N@@H+](C)CC3)oc2cc1C ZINC000345168510 378212113 /nfs/dbraw/zinc/21/21/13/378212113.db2.gz FNANJJCHWBDJMY-UHFFFAOYSA-N 2 1 284.403 3.401 20 0 CGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345185610 378217377 /nfs/dbraw/zinc/21/73/77/378217377.db2.gz DBXJDQLLTVOEKC-KRWDZBQOSA-N 2 1 260.425 3.267 20 0 CGADMP COCCC[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000268991619 378167775 /nfs/dbraw/zinc/16/77/75/378167775.db2.gz RJAFWIBRCWHLCY-IAGOWNOFSA-N 2 1 292.467 3.302 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000579563936 378172427 /nfs/dbraw/zinc/17/24/27/378172427.db2.gz GXLJYKNWETYAAA-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000269861943 378274237 /nfs/dbraw/zinc/27/42/37/378274237.db2.gz JJLKHRIZMBNUDP-WBMJQRKESA-N 2 1 294.389 3.274 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000269861943 378274241 /nfs/dbraw/zinc/27/42/41/378274241.db2.gz JJLKHRIZMBNUDP-WBMJQRKESA-N 2 1 294.389 3.274 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000582327897 378305081 /nfs/dbraw/zinc/30/50/81/378305081.db2.gz CDMVSAHLXKFIEB-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000582327897 378305087 /nfs/dbraw/zinc/30/50/87/378305087.db2.gz CDMVSAHLXKFIEB-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000582327897 378305090 /nfs/dbraw/zinc/30/50/90/378305090.db2.gz CDMVSAHLXKFIEB-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000582327897 378305093 /nfs/dbraw/zinc/30/50/93/378305093.db2.gz CDMVSAHLXKFIEB-XJKSGUPXSA-N 2 1 280.843 3.420 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000584433965 378383231 /nfs/dbraw/zinc/38/32/31/378383231.db2.gz XSRSKYRHUCNLAE-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000584433965 378383237 /nfs/dbraw/zinc/38/32/37/378383237.db2.gz XSRSKYRHUCNLAE-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000584433965 378383241 /nfs/dbraw/zinc/38/32/41/378383241.db2.gz XSRSKYRHUCNLAE-GJZGRUSLSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000270668988 378384445 /nfs/dbraw/zinc/38/44/45/378384445.db2.gz RTLARYJYTPHLOE-YOEHRIQHSA-N 2 1 269.392 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000270668988 378384449 /nfs/dbraw/zinc/38/44/49/378384449.db2.gz RTLARYJYTPHLOE-YOEHRIQHSA-N 2 1 269.392 3.275 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)CC1 ZINC000584447488 378385224 /nfs/dbraw/zinc/38/52/24/378385224.db2.gz XFRODSPQVNJRAD-MRXNPFEDSA-N 2 1 283.419 3.151 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000565618233 322084446 /nfs/dbraw/zinc/08/44/46/322084446.db2.gz BDHDNEKOFWITPZ-YHUYYLMFSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000565618233 322084448 /nfs/dbraw/zinc/08/44/48/322084448.db2.gz BDHDNEKOFWITPZ-YHUYYLMFSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000271069009 378446923 /nfs/dbraw/zinc/44/69/23/378446923.db2.gz DRWFLSZWCGBWID-ZDUSSCGKSA-N 2 1 289.448 3.446 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000271069009 378446928 /nfs/dbraw/zinc/44/69/28/378446928.db2.gz DRWFLSZWCGBWID-ZDUSSCGKSA-N 2 1 289.448 3.446 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC000271172649 378470247 /nfs/dbraw/zinc/47/02/47/378470247.db2.gz FVVXJGCDOYKIHF-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC000271172649 378470249 /nfs/dbraw/zinc/47/02/49/378470249.db2.gz FVVXJGCDOYKIHF-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000271172649 378470252 /nfs/dbraw/zinc/47/02/52/378470252.db2.gz FVVXJGCDOYKIHF-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000271172649 378470256 /nfs/dbraw/zinc/47/02/56/378470256.db2.gz FVVXJGCDOYKIHF-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181770 378474238 /nfs/dbraw/zinc/47/42/38/378474238.db2.gz HXWJPZBGFYRCAR-RHSMWYFYSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181770 378474239 /nfs/dbraw/zinc/47/42/39/378474239.db2.gz HXWJPZBGFYRCAR-RHSMWYFYSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181770 378474246 /nfs/dbraw/zinc/47/42/46/378474246.db2.gz HXWJPZBGFYRCAR-RHSMWYFYSA-N 2 1 285.435 3.330 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000346146207 378479965 /nfs/dbraw/zinc/47/99/65/378479965.db2.gz HNVZBDFLKBDOJL-AWEZNQCLSA-N 2 1 284.407 3.198 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1C ZINC000271811109 378506840 /nfs/dbraw/zinc/50/68/40/378506840.db2.gz AURMGRXDZNXLLL-HNNXBMFYSA-N 2 1 258.409 3.216 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000272192741 378581637 /nfs/dbraw/zinc/58/16/37/378581637.db2.gz VWUPSVRBRDZYEC-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000271952744 378529093 /nfs/dbraw/zinc/52/90/93/378529093.db2.gz DYCXYUVXUXGJEW-RRENTHDGSA-N 2 1 284.447 3.323 20 0 CGADMP C[C@H]([NH2+]CC1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272435668 378637280 /nfs/dbraw/zinc/63/72/80/378637280.db2.gz IBQZILVBRNSPGU-YJBOKZPZSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000272284520 378603958 /nfs/dbraw/zinc/60/39/58/378603958.db2.gz NEIHQKMFEYMTSA-RDTXWAMCSA-N 2 1 283.419 3.413 20 0 CGADMP CSCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272535353 378660144 /nfs/dbraw/zinc/66/01/44/378660144.db2.gz REHWSHCWIVCLBH-DOTOQJQBSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000346647177 378660747 /nfs/dbraw/zinc/66/07/47/378660747.db2.gz FVFPRVGWKDFQEV-KGLIPLIRSA-N 2 1 299.393 3.057 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346648255 378661173 /nfs/dbraw/zinc/66/11/73/378661173.db2.gz PDEIPAINBYCVKU-NVXWUHKLSA-N 2 1 290.451 3.281 20 0 CGADMP C[NH2+]CCC1CC[NH+](Cc2ncc(C(C)C)s2)CC1 ZINC000346694559 378678351 /nfs/dbraw/zinc/67/83/51/378678351.db2.gz UWWULQJYEYHIRY-UHFFFAOYSA-N 2 1 281.469 3.088 20 0 CGADMP COc1ccc([C@@H](C)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346693749 378678487 /nfs/dbraw/zinc/67/84/87/378678487.db2.gz PKSPOXKADWFNSE-YOEHRIQHSA-N 2 1 278.440 3.104 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346849980 378695164 /nfs/dbraw/zinc/69/51/64/378695164.db2.gz HIOSRQXLPQAOPN-RDJZCZTQSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000347999285 378749018 /nfs/dbraw/zinc/74/90/18/378749018.db2.gz CYCIJXQIEULXTJ-NSHDSACASA-N 2 1 292.452 3.296 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000638116198 378705404 /nfs/dbraw/zinc/70/54/04/378705404.db2.gz HXEKPOPDXCBWQV-HOCLYGCPSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3n2C)CC[N@H+]1C ZINC000638116198 378705410 /nfs/dbraw/zinc/70/54/10/378705410.db2.gz HXEKPOPDXCBWQV-HOCLYGCPSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)CC[NH+]1C ZINC000638116198 378705413 /nfs/dbraw/zinc/70/54/13/378705413.db2.gz HXEKPOPDXCBWQV-HOCLYGCPSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)CC[NH+]1C ZINC000638116198 378705419 /nfs/dbraw/zinc/70/54/19/378705419.db2.gz HXEKPOPDXCBWQV-HOCLYGCPSA-N 2 1 285.435 3.093 20 0 CGADMP CO[C@@](C)(C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000638365758 378779220 /nfs/dbraw/zinc/77/92/20/378779220.db2.gz HNBGGGKNKZNFTI-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP Clc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346840490 218031761 /nfs/dbraw/zinc/03/17/61/218031761.db2.gz ZZHATUNTSKJTDA-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000348135957 378808322 /nfs/dbraw/zinc/80/83/22/378808322.db2.gz MTCMVZFBGRFROF-KRWDZBQOSA-N 2 1 292.492 3.339 20 0 CGADMP CCC1CCC([N@@H+](C)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000348198580 378834976 /nfs/dbraw/zinc/83/49/76/378834976.db2.gz AWBXHJVSFBEEKS-PCKAHOCUSA-N 2 1 252.446 3.371 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@](C)(OC)C2CC2)c1 ZINC000638562440 378835344 /nfs/dbraw/zinc/83/53/44/378835344.db2.gz DYDRPLMUXPZQSD-GOSISDBHSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000346894763 218051191 /nfs/dbraw/zinc/05/11/91/218051191.db2.gz ZAAOIPHKOIYULD-HZPDHXFCSA-N 2 1 275.440 3.305 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000274543660 378849541 /nfs/dbraw/zinc/84/95/41/378849541.db2.gz VEGNCAKGCSWYIY-OALUTQOASA-N 2 1 284.447 3.493 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000348259885 378870230 /nfs/dbraw/zinc/87/02/30/378870230.db2.gz MXCRQEZNHNDSTP-OWSLCNJRSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000348259885 378870235 /nfs/dbraw/zinc/87/02/35/378870235.db2.gz MXCRQEZNHNDSTP-OWSLCNJRSA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638566154 378837220 /nfs/dbraw/zinc/83/72/20/378837220.db2.gz CABMGVOAHSHWJQ-VQHPVUNQSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278522567 194025984 /nfs/dbraw/zinc/02/59/84/194025984.db2.gz MYELPIZGKJFIFA-SJORKVTESA-N 2 1 290.451 3.147 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000135612284 284724680 /nfs/dbraw/zinc/72/46/80/284724680.db2.gz UJDHJOHMKAGDPG-BHYGNILZSA-N 2 1 260.425 3.110 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346990768 218080923 /nfs/dbraw/zinc/08/09/23/218080923.db2.gz SPXQCTCMXRLQAL-UKRRQHHQSA-N 2 1 278.827 3.129 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192390742 296284848 /nfs/dbraw/zinc/28/48/48/296284848.db2.gz RAZWQRJOTOOQRD-DOMZBBRYSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347014899 218092596 /nfs/dbraw/zinc/09/25/96/218092596.db2.gz ANLJHDGWHHASJW-KXBFYZLASA-N 2 1 295.430 3.450 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347014899 218092598 /nfs/dbraw/zinc/09/25/98/218092598.db2.gz ANLJHDGWHHASJW-KXBFYZLASA-N 2 1 295.430 3.450 20 0 CGADMP Cc1cc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)oc1C ZINC000370306624 379005375 /nfs/dbraw/zinc/00/53/75/379005375.db2.gz WOTBHZHFVWONCR-QEJZJMRPSA-N 2 1 262.397 3.174 20 0 CGADMP COc1ccccc1CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277037976 379050098 /nfs/dbraw/zinc/05/00/98/379050098.db2.gz BOPOGYMNSXRDMY-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688354 379199591 /nfs/dbraw/zinc/19/95/91/379199591.db2.gz DJHNWZIQNYXBNH-MRLCAUJQSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688354 379199602 /nfs/dbraw/zinc/19/96/02/379199602.db2.gz DJHNWZIQNYXBNH-MRLCAUJQSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CC=CCC1 ZINC000349355373 379244526 /nfs/dbraw/zinc/24/45/26/379244526.db2.gz UZJMJAOUDHZBLU-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP Fc1ccc([C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)cc1 ZINC000278901560 194204510 /nfs/dbraw/zinc/20/45/10/194204510.db2.gz FVKSOZAHHMGKLB-SCLBCKFNSA-N 2 1 299.393 3.326 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Cl)cn3)C2)CC1 ZINC000374074526 379371316 /nfs/dbraw/zinc/37/13/16/379371316.db2.gz LGONQRUBMMJIRQ-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639505692 379440115 /nfs/dbraw/zinc/44/01/15/379440115.db2.gz RPJMMHNBAFSPKT-QGZVFWFLSA-N 2 1 289.467 3.171 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639505692 379440119 /nfs/dbraw/zinc/44/01/19/379440119.db2.gz RPJMMHNBAFSPKT-QGZVFWFLSA-N 2 1 289.467 3.171 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000374481669 379446192 /nfs/dbraw/zinc/44/61/92/379446192.db2.gz OLEJBZBUAHWRJQ-LAVFITLUSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000374481669 379446195 /nfs/dbraw/zinc/44/61/95/379446195.db2.gz OLEJBZBUAHWRJQ-LAVFITLUSA-N 2 1 272.436 3.395 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000374318468 379419983 /nfs/dbraw/zinc/41/99/83/379419983.db2.gz XYZYMEDIMADQPS-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000279851674 379534385 /nfs/dbraw/zinc/53/43/85/379534385.db2.gz RVZDCWZZOOCCTN-KRWDZBQOSA-N 2 1 276.399 3.277 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2F)[C@@H](C)C1 ZINC000280154378 379622256 /nfs/dbraw/zinc/62/22/56/379622256.db2.gz DXDCEJGBVDCRJZ-WMLDXEAASA-N 2 1 278.415 3.078 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000639986999 379677491 /nfs/dbraw/zinc/67/74/91/379677491.db2.gz DKSDHHLNOBEQTN-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@@H+](Cc1ccccc1F)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377697681 379725653 /nfs/dbraw/zinc/72/56/53/379725653.db2.gz OOPHNUYOCSMJBG-UHFFFAOYSA-N 2 1 299.393 3.322 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)CCc1ccc(F)cc1 ZINC000351606629 379728700 /nfs/dbraw/zinc/72/87/00/379728700.db2.gz DPBHJVPFBRBACX-UHFFFAOYSA-N 2 1 266.404 3.032 20 0 CGADMP CCC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000347730117 218336861 /nfs/dbraw/zinc/33/68/61/218336861.db2.gz CCLRWDAYDYZMSK-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000347730117 218336863 /nfs/dbraw/zinc/33/68/63/218336863.db2.gz CCLRWDAYDYZMSK-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000347730117 218336864 /nfs/dbraw/zinc/33/68/64/218336864.db2.gz CCLRWDAYDYZMSK-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000347730117 218336865 /nfs/dbraw/zinc/33/68/65/218336865.db2.gz CCLRWDAYDYZMSK-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000352526703 379844625 /nfs/dbraw/zinc/84/46/25/379844625.db2.gz QUNAXCXQLWWWCD-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352535228 379846381 /nfs/dbraw/zinc/84/63/81/379846381.db2.gz OADVVVLZNWBCFG-ZBFHGGJFSA-N 2 1 276.424 3.002 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1F ZINC000352541083 379849255 /nfs/dbraw/zinc/84/92/55/379849255.db2.gz TYVFOJWBURGRDY-JZIMQPMSSA-N 2 1 280.362 3.181 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1F ZINC000352541083 379849264 /nfs/dbraw/zinc/84/92/64/379849264.db2.gz TYVFOJWBURGRDY-JZIMQPMSSA-N 2 1 280.362 3.181 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000392204295 379910382 /nfs/dbraw/zinc/91/03/82/379910382.db2.gz LSGZMSMORVTKKU-OAHLLOKOSA-N 2 1 258.409 3.216 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389199793 379895293 /nfs/dbraw/zinc/89/52/93/379895293.db2.gz REPSQBUIWYIPKU-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000389583717 379900161 /nfs/dbraw/zinc/90/01/61/379900161.db2.gz MLWUWKQXMPUTAB-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(O)c1 ZINC000282333495 379901040 /nfs/dbraw/zinc/90/10/40/379901040.db2.gz OGQNXBHGMFHGAA-AWEZNQCLSA-N 2 1 276.424 3.165 20 0 CGADMP c1cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)ccc2o1 ZINC000352793409 379963668 /nfs/dbraw/zinc/96/36/68/379963668.db2.gz PJUIIJCDWDPFBJ-JKSUJKDBSA-N 2 1 270.376 3.149 20 0 CGADMP c1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)ccc2o1 ZINC000352793409 379963670 /nfs/dbraw/zinc/96/36/70/379963670.db2.gz PJUIIJCDWDPFBJ-JKSUJKDBSA-N 2 1 270.376 3.149 20 0 CGADMP c1cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2o1 ZINC000352793407 379964615 /nfs/dbraw/zinc/96/46/15/379964615.db2.gz PJUIIJCDWDPFBJ-HOTGVXAUSA-N 2 1 270.376 3.149 20 0 CGADMP c1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)ccc2o1 ZINC000352793407 379964621 /nfs/dbraw/zinc/96/46/21/379964621.db2.gz PJUIIJCDWDPFBJ-HOTGVXAUSA-N 2 1 270.376 3.149 20 0 CGADMP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)C(C)C ZINC000347843216 218374349 /nfs/dbraw/zinc/37/43/49/218374349.db2.gz FYHNBGFHFXBLLV-LBPRGKRZSA-N 2 1 269.458 3.071 20 0 CGADMP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)C(C)C ZINC000347843216 218374351 /nfs/dbraw/zinc/37/43/51/218374351.db2.gz FYHNBGFHFXBLLV-LBPRGKRZSA-N 2 1 269.458 3.071 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000352757941 379941853 /nfs/dbraw/zinc/94/18/53/379941853.db2.gz WEMQKHAVARBSJW-QGZVFWFLSA-N 2 1 289.467 3.102 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000352757941 379941856 /nfs/dbraw/zinc/94/18/56/379941856.db2.gz WEMQKHAVARBSJW-QGZVFWFLSA-N 2 1 289.467 3.102 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)s1 ZINC000352760946 379943923 /nfs/dbraw/zinc/94/39/23/379943923.db2.gz BTSANFNQBNKVOD-HZSPNIEDSA-N 2 1 293.480 3.263 20 0 CGADMP CCc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000352774917 379952241 /nfs/dbraw/zinc/95/22/41/379952241.db2.gz YNSBCZGMMHUDRR-IYBDPMFKSA-N 2 1 289.467 3.102 20 0 CGADMP CCc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000352774917 379952245 /nfs/dbraw/zinc/95/22/45/379952245.db2.gz YNSBCZGMMHUDRR-IYBDPMFKSA-N 2 1 289.467 3.102 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000401831153 379959322 /nfs/dbraw/zinc/95/93/22/379959322.db2.gz GDLXHKZEGNGDRG-VIFPVBQESA-N 2 1 269.801 3.028 20 0 CGADMP COCCC[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000352838487 379993096 /nfs/dbraw/zinc/99/30/96/379993096.db2.gz KIDGSRYGYPMQGD-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP COCCC[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000352838487 379993100 /nfs/dbraw/zinc/99/31/00/379993100.db2.gz KIDGSRYGYPMQGD-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP COCCC[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000352838487 379993105 /nfs/dbraw/zinc/99/31/05/379993105.db2.gz KIDGSRYGYPMQGD-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP COCCC[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352838487 379993110 /nfs/dbraw/zinc/99/31/10/379993110.db2.gz KIDGSRYGYPMQGD-UHFFFAOYSA-N 2 1 292.467 3.113 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000642631042 380182502 /nfs/dbraw/zinc/18/25/02/380182502.db2.gz ZJVNAXFIPQCWPC-MSOLQXFVSA-N 2 1 272.436 3.356 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C12CCCC2 ZINC000414198182 380202278 /nfs/dbraw/zinc/20/22/78/380202278.db2.gz WFYQQOYKHPXNFZ-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccc(N(C)CC[C@@H]2CCCC[N@H+]2C)c1Cl ZINC000353168107 380151163 /nfs/dbraw/zinc/15/11/63/380151163.db2.gz AUNLBXGLVOGKFA-ZDUSSCGKSA-N 2 1 281.831 3.354 20 0 CGADMP Cc1occc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000414417912 380227962 /nfs/dbraw/zinc/22/79/62/380227962.db2.gz YCXWVWFNFFVVOC-RDJZCZTQSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000414417912 380227970 /nfs/dbraw/zinc/22/79/70/380227970.db2.gz YCXWVWFNFFVVOC-RDJZCZTQSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000414417912 380227973 /nfs/dbraw/zinc/22/79/73/380227973.db2.gz YCXWVWFNFFVVOC-RDJZCZTQSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414417912 380227982 /nfs/dbraw/zinc/22/79/82/380227982.db2.gz YCXWVWFNFFVVOC-RDJZCZTQSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000643502851 380326456 /nfs/dbraw/zinc/32/64/56/380326456.db2.gz TYWGLJAJPHWHND-IKGGRYGDSA-N 2 1 287.451 3.148 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+]CCC[NH2+]C(C)C)oc21 ZINC000643508347 380331667 /nfs/dbraw/zinc/33/16/67/380331667.db2.gz PZQGNHMCIURZAV-ZDUSSCGKSA-N 2 1 290.407 3.480 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000643511269 380334161 /nfs/dbraw/zinc/33/41/61/380334161.db2.gz KBZCKEALCULOHQ-IUODEOHRSA-N 2 1 266.454 3.176 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414674258 380366054 /nfs/dbraw/zinc/36/60/54/380366054.db2.gz DKTVEUOQOWTSLW-ZIAGYGMSSA-N 2 1 296.842 3.039 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414690362 380377177 /nfs/dbraw/zinc/37/71/77/380377177.db2.gz AMJMXKZAZBXZJH-FZKCQIBNSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](CCc2ccc(F)cc2)C2CC2)CC[NH2+]1 ZINC000414696497 380377950 /nfs/dbraw/zinc/37/79/50/380377950.db2.gz PKZULEWPTZNBIY-GDBMZVCRSA-N 2 1 290.426 3.221 20 0 CGADMP CC[N@@H+](CCc1cccs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414698868 380379657 /nfs/dbraw/zinc/37/96/57/380379657.db2.gz IENCMNYXPWALFO-ZIAGYGMSSA-N 2 1 266.454 3.001 20 0 CGADMP CCCOc1cccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000414708396 380383564 /nfs/dbraw/zinc/38/35/64/380383564.db2.gz CRNBZWYEYAJKJS-QGZVFWFLSA-N 2 1 290.451 3.439 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000643521735 380338028 /nfs/dbraw/zinc/33/80/28/380338028.db2.gz AKCSUZOYEFSBEE-UKRRQHHQSA-N 2 1 269.392 3.028 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000643526685 380342284 /nfs/dbraw/zinc/34/22/84/380342284.db2.gz DRZWMJMQJSCSRL-DYVFJYSZSA-N 2 1 272.367 3.046 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000643527536 380342448 /nfs/dbraw/zinc/34/24/48/380342448.db2.gz OFJFLHFDKWPKBJ-IAQYHMDHSA-N 2 1 260.381 3.457 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643529179 380346508 /nfs/dbraw/zinc/34/65/08/380346508.db2.gz WMZOGAGFIJBSMJ-MFKMUULPSA-N 2 1 274.330 3.483 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CCC1 ZINC000354183324 380357000 /nfs/dbraw/zinc/35/70/00/380357000.db2.gz ZJSGYCRMUGKKHW-XGUBFFRZSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CCC1 ZINC000354183324 380357005 /nfs/dbraw/zinc/35/70/05/380357005.db2.gz ZJSGYCRMUGKKHW-XGUBFFRZSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1C(F)(F)F ZINC000414664342 380358082 /nfs/dbraw/zinc/35/80/82/380358082.db2.gz SKFHUJOKYCWTJA-DGCLKSJQSA-N 2 1 286.341 3.183 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1F ZINC000643547092 380362015 /nfs/dbraw/zinc/36/20/15/380362015.db2.gz ZPYJXWXCZNLZQQ-CHWSQXEVSA-N 2 1 262.372 3.151 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414669901 380362010 /nfs/dbraw/zinc/36/20/10/380362010.db2.gz CDWYGWKREIRFPZ-PMPSAXMXSA-N 2 1 260.425 3.376 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414668577 380362143 /nfs/dbraw/zinc/36/21/43/380362143.db2.gz AHPFPRIKFNGGMG-LSDHHAIUSA-N 2 1 278.415 3.424 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000414813550 380423522 /nfs/dbraw/zinc/42/35/22/380423522.db2.gz MPENDXHVDCXYTN-HIFRSBDPSA-N 2 1 296.430 3.120 20 0 CGADMP c1ccc(N2CCCCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414816399 380428191 /nfs/dbraw/zinc/42/81/91/380428191.db2.gz PTOISUHBYSOTRQ-JWTNVVGKSA-N 2 1 299.462 3.050 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414832501 380440008 /nfs/dbraw/zinc/44/00/08/380440008.db2.gz DPXSKUYEFCDKAL-RCCFBDPRSA-N 2 1 274.452 3.460 20 0 CGADMP Cc1ccc2cc(C[NH2+]CC3([NH3+])CCCCC3)ccc2n1 ZINC000414833362 380442044 /nfs/dbraw/zinc/44/20/44/380442044.db2.gz ANAXMLKUEDLTHI-UHFFFAOYSA-N 2 1 283.419 3.294 20 0 CGADMP CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000414838973 380445467 /nfs/dbraw/zinc/44/54/67/380445467.db2.gz LDTFETZMAOVPOM-QGZVFWFLSA-N 2 1 276.424 3.083 20 0 CGADMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C1CCCCC1 ZINC000414839509 380445496 /nfs/dbraw/zinc/44/54/96/380445496.db2.gz LJONPDMKUHFDGC-CHYADLBTSA-N 2 1 276.399 3.336 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414837718 380446311 /nfs/dbraw/zinc/44/63/11/380446311.db2.gz JPOHUAXCOSKCDS-CQSZACIVSA-N 2 1 254.805 3.111 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(F)cc(Cl)c2)CCCCC1 ZINC000414839847 380447088 /nfs/dbraw/zinc/44/70/88/380447088.db2.gz JSQQILDXXQZNIU-UHFFFAOYSA-N 2 1 270.779 3.230 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)CC[NH2+]1 ZINC000414768395 380397380 /nfs/dbraw/zinc/39/73/80/380397380.db2.gz UYSWIXODGVYJKI-CPUCHLNUSA-N 2 1 294.389 3.084 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414776807 380398889 /nfs/dbraw/zinc/39/88/89/380398889.db2.gz HTRDNIONMJLONP-GOEBONIOSA-N 2 1 292.854 3.470 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414780897 380401044 /nfs/dbraw/zinc/40/10/44/380401044.db2.gz MCZMDDWBTHGKPK-MSOLQXFVSA-N 2 1 272.436 3.125 20 0 CGADMP FC(F)(F)c1cc(C[NH2+]C2CC[NH2+]CC2)ccc1Cl ZINC000414782499 380403305 /nfs/dbraw/zinc/40/33/05/380403305.db2.gz DVPHNMAXVPSTCV-UHFFFAOYSA-N 2 1 292.732 3.200 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1nccc3ccccc31)CC[NH2+]CC2 ZINC000643973774 380403927 /nfs/dbraw/zinc/40/39/27/380403927.db2.gz MIJRDIVDMXXLHW-HNNXBMFYSA-N 2 1 295.430 3.199 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccccn2)c1)C1(C[NH3+])CCC1 ZINC000414787343 380405329 /nfs/dbraw/zinc/40/53/29/380405329.db2.gz LRBDYTVEIDDFNA-UHFFFAOYSA-N 2 1 281.403 3.062 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)C1(C[NH3+])CCC1 ZINC000414787343 380405338 /nfs/dbraw/zinc/40/53/38/380405338.db2.gz LRBDYTVEIDDFNA-UHFFFAOYSA-N 2 1 281.403 3.062 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414791672 380407023 /nfs/dbraw/zinc/40/70/23/380407023.db2.gz IEOGSQTVRPZRCV-GFCCVEGCSA-N 2 1 254.443 3.119 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414794734 380408463 /nfs/dbraw/zinc/40/84/63/380408463.db2.gz MBJUROYVDRICFB-LBPRGKRZSA-N 2 1 261.196 3.066 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414802247 380414713 /nfs/dbraw/zinc/41/47/13/380414713.db2.gz VIJLRFYWKRXKKA-GFCCVEGCSA-N 2 1 294.748 3.432 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414802362 380414804 /nfs/dbraw/zinc/41/48/04/380414804.db2.gz BHUOBEJMKLOTOW-WAYWQWQTSA-N 2 1 268.351 3.085 20 0 CGADMP CCC(C)(C)C1CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000414804806 380418988 /nfs/dbraw/zinc/41/89/88/380418988.db2.gz PBUKANKTNLDNJP-YMAMQOFZSA-N 2 1 252.446 3.308 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414810903 380422116 /nfs/dbraw/zinc/42/21/16/380422116.db2.gz YERAEAOWAVSNCN-UHFFFAOYSA-N 2 1 260.406 3.242 20 0 CGADMP C[N@@H+]1CC=C(CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000354589112 380496932 /nfs/dbraw/zinc/49/69/32/380496932.db2.gz SDTQTTHPYMRRSJ-UHFFFAOYSA-N 2 1 271.339 3.048 20 0 CGADMP C[C@@H](C[NH3+])[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414942373 380500443 /nfs/dbraw/zinc/50/04/43/380500443.db2.gz KELVSJNNCBVJOD-INIZCTEOSA-N 2 1 282.431 3.025 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[NH2+]1 ZINC000414942966 380500711 /nfs/dbraw/zinc/50/07/11/380500711.db2.gz DXHOIJYBDCJDPT-AAEUAGOBSA-N 2 1 279.453 3.031 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H](C)C[NH+]2CCCCCC2)cn1 ZINC000354647382 380513332 /nfs/dbraw/zinc/51/33/32/380513332.db2.gz LAGSWUAVKMNWQW-KRWDZBQOSA-N 2 1 289.467 3.177 20 0 CGADMP CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000414862271 380463028 /nfs/dbraw/zinc/46/30/28/380463028.db2.gz HGIWIEAZPNZXDF-LXPRWKDFSA-N 2 1 272.436 3.229 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414868849 380466788 /nfs/dbraw/zinc/46/67/88/380466788.db2.gz KRGOUYLNJKXFPA-LBPRGKRZSA-N 2 1 288.357 3.226 20 0 CGADMP c1ccc(CC(Cc2ccccc2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414867867 380466823 /nfs/dbraw/zinc/46/68/23/380466823.db2.gz OVPMIVHUZSKFRF-IBGZPJMESA-N 2 1 294.442 3.182 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414870099 380467266 /nfs/dbraw/zinc/46/72/66/380467266.db2.gz CCDJPMADOMGQFP-HNNXBMFYSA-N 2 1 275.440 3.120 20 0 CGADMP c1ccc(CC[C@H]2CCC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414881586 380472352 /nfs/dbraw/zinc/47/23/52/380472352.db2.gz AQIAVYLTAKPWOJ-FGTMMUONSA-N 2 1 272.436 3.130 20 0 CGADMP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414886613 380474301 /nfs/dbraw/zinc/47/43/01/380474301.db2.gz QCZPXNYSXIGAKA-SOUVJXGZSA-N 2 1 298.352 3.293 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC000644843040 380528327 /nfs/dbraw/zinc/52/83/27/380528327.db2.gz GBCFGSZCDDKPQE-GOSISDBHSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000644843040 380528330 /nfs/dbraw/zinc/52/83/30/380528330.db2.gz GBCFGSZCDDKPQE-GOSISDBHSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000644843040 380528335 /nfs/dbraw/zinc/52/83/35/380528335.db2.gz GBCFGSZCDDKPQE-GOSISDBHSA-N 2 1 270.420 3.092 20 0 CGADMP CC[C@@H]1CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000644843477 380529693 /nfs/dbraw/zinc/52/96/93/380529693.db2.gz RCQVERKSODPCGQ-QGZVFWFLSA-N 2 1 288.435 3.146 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417301931 380588209 /nfs/dbraw/zinc/58/82/09/380588209.db2.gz AWEQRHSCZVBIHM-ZQDZILKHSA-N 2 1 278.465 3.172 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC12CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417345242 380602224 /nfs/dbraw/zinc/60/22/24/380602224.db2.gz XILSXCNDSDBGIE-JQHSSLGASA-N 2 1 284.447 3.287 20 0 CGADMP CCn1cncc1CNCc1oc2ccc(F)cc2c1C ZINC000417885280 380685755 /nfs/dbraw/zinc/68/57/55/380685755.db2.gz YEGZEDSWOTTYLB-UHFFFAOYSA-N 2 1 287.338 3.387 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420313918 380848798 /nfs/dbraw/zinc/84/87/98/380848798.db2.gz KJDVCKROQAGLOH-UVBJJODRSA-N 2 1 276.811 3.011 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420313918 380848807 /nfs/dbraw/zinc/84/88/07/380848807.db2.gz KJDVCKROQAGLOH-UVBJJODRSA-N 2 1 276.811 3.011 20 0 CGADMP FC(F)(F)[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CC12CCC2 ZINC000420373191 380851821 /nfs/dbraw/zinc/85/18/21/380851821.db2.gz MENFZGGMPWTSPZ-CHWSQXEVSA-N 2 1 290.373 3.041 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)[NH+]1CCC(C)CC1 ZINC000356862395 380906857 /nfs/dbraw/zinc/90/68/57/380906857.db2.gz ZRAGUGRZXGWSKT-RCCFBDPRSA-N 2 1 296.499 3.148 20 0 CGADMP COC1(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000359972681 381395164 /nfs/dbraw/zinc/39/51/64/381395164.db2.gz XCBVNCHBXGYHAL-KRWDZBQOSA-N 2 1 296.499 3.437 20 0 CGADMP Cc1sc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361344975 381708978 /nfs/dbraw/zinc/70/89/78/381708978.db2.gz HHSNVEVFFCZKHS-OUCADQQQSA-N 2 1 295.496 3.393 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000362572927 382061514 /nfs/dbraw/zinc/06/15/14/382061514.db2.gz NIKJEEDHPYHLEI-LLVKDONJSA-N 2 1 286.404 3.152 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC[C@H]1[NH3+] ZINC000251608110 542346633 /nfs/dbraw/zinc/34/66/33/542346633.db2.gz DLBLWDMVISAEDZ-RHSMWYFYSA-N 2 1 258.409 3.123 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412690 542349830 /nfs/dbraw/zinc/34/98/30/542349830.db2.gz ASQRGZWJYMNDCI-NVXWUHKLSA-N 2 1 288.435 3.049 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412690 542349833 /nfs/dbraw/zinc/34/98/33/542349833.db2.gz ASQRGZWJYMNDCI-NVXWUHKLSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252107713 296338983 /nfs/dbraw/zinc/33/89/83/296338983.db2.gz HHBLBTSXKQOFHM-SDKNFDLMSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252107713 296338985 /nfs/dbraw/zinc/33/89/85/296338985.db2.gz HHBLBTSXKQOFHM-SDKNFDLMSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413130 296343199 /nfs/dbraw/zinc/34/31/99/296343199.db2.gz ZVHMEDQUSDQQMN-OWSLCNJRSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000261650812 285023324 /nfs/dbraw/zinc/02/33/24/285023324.db2.gz RIIPNCPADKUHKS-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000280880500 195013231 /nfs/dbraw/zinc/01/32/31/195013231.db2.gz PCRKTASPYFIKEP-TWPTVVAISA-N 2 1 272.436 3.251 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335359424 208270661 /nfs/dbraw/zinc/27/06/61/208270661.db2.gz ISGVOWWVRVSSSI-ZIAGYGMSSA-N 2 1 269.392 3.107 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425930522 533060827 /nfs/dbraw/zinc/06/08/27/533060827.db2.gz IMGORZKOPKAGCK-STQMWFEESA-N 2 1 266.454 3.257 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423382758 533061375 /nfs/dbraw/zinc/06/13/75/533061375.db2.gz OOJGTQWUSXCGNP-RWMBFGLXSA-N 2 1 264.438 3.200 20 0 CGADMP CC[N@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420317774 285112332 /nfs/dbraw/zinc/11/23/32/285112332.db2.gz NYKKTMVIOFPMNL-SFHVURJKSA-N 2 1 298.430 3.260 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000353747286 220301199 /nfs/dbraw/zinc/30/11/99/220301199.db2.gz FNNMTLMVIQDFML-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000353747286 220301202 /nfs/dbraw/zinc/30/12/02/220301202.db2.gz FNNMTLMVIQDFML-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000353747286 220301207 /nfs/dbraw/zinc/30/12/07/220301207.db2.gz FNNMTLMVIQDFML-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)s2)C[C@@H]1C ZINC000353756545 220308101 /nfs/dbraw/zinc/30/81/01/220308101.db2.gz VTQVKAPNRKPSTN-JSGCOSHPSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)s2)C[C@@H]1C ZINC000353756545 220308106 /nfs/dbraw/zinc/30/81/06/220308106.db2.gz VTQVKAPNRKPSTN-JSGCOSHPSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)s2)C[C@@H]1C ZINC000353756545 220308109 /nfs/dbraw/zinc/30/81/09/220308109.db2.gz VTQVKAPNRKPSTN-JSGCOSHPSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)s2)C[C@@H]1C ZINC000353756545 220308113 /nfs/dbraw/zinc/30/81/13/220308113.db2.gz VTQVKAPNRKPSTN-JSGCOSHPSA-N 2 1 266.454 3.361 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289185216 197256878 /nfs/dbraw/zinc/25/68/78/197256878.db2.gz IOLYCBLAGDOLHD-KRWDZBQOSA-N 2 1 294.402 3.340 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@H]2c2ccncc2)CC[NH2+]1 ZINC000414679357 297399316 /nfs/dbraw/zinc/39/93/16/297399316.db2.gz ZOSLZHATQUVBEF-NUJGCVRESA-N 2 1 287.451 3.387 20 0 CGADMP Clc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066545 542486218 /nfs/dbraw/zinc/48/62/18/542486218.db2.gz FUTTZHYREVBKNA-GJZGRUSLSA-N 2 1 278.827 3.099 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000353947522 542562168 /nfs/dbraw/zinc/56/21/68/542562168.db2.gz YVYNNSKBJAMIMQ-PNESKVBLSA-N 2 1 292.389 3.427 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000414185497 533289574 /nfs/dbraw/zinc/28/95/74/533289574.db2.gz OSPXQOOCTXMKNE-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)ccc2c1 ZINC000423339186 533336057 /nfs/dbraw/zinc/33/60/57/533336057.db2.gz ZIJPTTKDUHYAGJ-KZULUSFZSA-N 2 1 284.403 3.236 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+]CC(C)(C)[NH3+])c(C)c2c1 ZINC000423287344 533358246 /nfs/dbraw/zinc/35/82/46/533358246.db2.gz LPWUQLJSFPOHOZ-NSHDSACASA-N 2 1 276.380 3.138 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1C(C)(C)C ZINC000423322707 533411288 /nfs/dbraw/zinc/41/12/88/533411288.db2.gz OGWNFLFTMBZOPW-MLGOLLRUSA-N 2 1 260.425 3.372 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1csc(Cl)c1 ZINC000423345523 533438365 /nfs/dbraw/zinc/43/83/65/533438365.db2.gz PBNDBDNJXJIBSK-ZWNOBZJWSA-N 2 1 272.845 3.442 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423326388 533438715 /nfs/dbraw/zinc/43/87/15/533438715.db2.gz KLGQEOOQKOOUPL-IAQYHMDHSA-N 2 1 268.351 3.005 20 0 CGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Oc2ccccc2)cc1 ZINC000423441141 533531812 /nfs/dbraw/zinc/53/18/12/533531812.db2.gz UINBGBZADFZCSV-BPQTVZERSA-N 2 1 294.398 3.347 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423285448 533510083 /nfs/dbraw/zinc/51/00/83/533510083.db2.gz YCAGAEDDPNHVCL-WBMJQRKESA-N 2 1 260.425 3.372 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423510001 533537394 /nfs/dbraw/zinc/53/73/94/533537394.db2.gz RUXIXEVKSLMAPE-XFKAJCMBSA-N 2 1 272.436 3.286 20 0 CGADMP C[N@@H+](CCC(C)(C)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000405983286 542627517 /nfs/dbraw/zinc/62/75/17/542627517.db2.gz BHCOKKMDNCACTO-YIONKMFJSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)c1ccc(C[C@H]2CC[N@@H+](CCC[NH3+])C2)cc1 ZINC000414761021 542638321 /nfs/dbraw/zinc/63/83/21/542638321.db2.gz ZTZNQVPIJIHFQG-MRXNPFEDSA-N 2 1 260.425 3.023 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000070092012 392177429 /nfs/dbraw/zinc/17/74/29/392177429.db2.gz KWEGKRKOEYKMKT-QWHCGFSZSA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000070092012 392177432 /nfs/dbraw/zinc/17/74/32/392177432.db2.gz KWEGKRKOEYKMKT-QWHCGFSZSA-N 2 1 252.427 3.049 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000285931240 392350537 /nfs/dbraw/zinc/35/05/37/392350537.db2.gz FHCJUVKCFXQJSC-HZPDHXFCSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000285931240 392350542 /nfs/dbraw/zinc/35/05/42/392350542.db2.gz FHCJUVKCFXQJSC-HZPDHXFCSA-N 2 1 275.440 3.161 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2(C)CCC2)C1 ZINC000434757569 542655569 /nfs/dbraw/zinc/65/55/69/542655569.db2.gz QASAUYNYFKDIPE-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2(C)CCC2)C1 ZINC000434757569 542655573 /nfs/dbraw/zinc/65/55/73/542655573.db2.gz QASAUYNYFKDIPE-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000246858332 131097904 /nfs/dbraw/zinc/09/79/04/131097904.db2.gz CKADZIAHNRZWTG-BQFCYCMXSA-N 2 1 290.451 3.082 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000252440404 131134555 /nfs/dbraw/zinc/13/45/55/131134555.db2.gz DQKOMGOZEFGIEE-MUQADHOPSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000252674899 131136452 /nfs/dbraw/zinc/13/64/52/131136452.db2.gz VLBJEEBTNZNTEA-PVAVHDDUSA-N 2 1 258.409 3.007 20 0 CGADMP CC[C@H](C[NH2+]Cc1cccc2[nH]ccc21)[NH+]1CCCC1 ZINC000261911562 131176344 /nfs/dbraw/zinc/17/63/44/131176344.db2.gz WMCCLKFCIXBXQB-OAHLLOKOSA-N 2 1 271.408 3.132 20 0 CGADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453337766 542681654 /nfs/dbraw/zinc/68/16/54/542681654.db2.gz ZYFVHHMXOXLSRX-RTBURBONSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453337766 542681656 /nfs/dbraw/zinc/68/16/56/542681656.db2.gz ZYFVHHMXOXLSRX-RTBURBONSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000287134085 392392538 /nfs/dbraw/zinc/39/25/38/392392538.db2.gz AJAFSJVBZXTZJQ-LESCRADOSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000287134085 392392541 /nfs/dbraw/zinc/39/25/41/392392541.db2.gz AJAFSJVBZXTZJQ-LESCRADOSA-N 2 1 272.436 3.445 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1OC ZINC000130021463 392453070 /nfs/dbraw/zinc/45/30/70/392453070.db2.gz IMIFSGDFQHWTBD-YCPHGPKFSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1OC ZINC000130021463 392453075 /nfs/dbraw/zinc/45/30/75/392453075.db2.gz IMIFSGDFQHWTBD-YCPHGPKFSA-N 2 1 276.424 3.219 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000362086498 392403834 /nfs/dbraw/zinc/40/38/34/392403834.db2.gz LZDISCJIZIALQN-OAHLLOKOSA-N 2 1 288.435 3.015 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CCCCCC1 ZINC000371466663 392526514 /nfs/dbraw/zinc/52/65/14/392526514.db2.gz QXMNXYNLCDOCPI-SQNIBIBYSA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000302380996 392615265 /nfs/dbraw/zinc/61/52/65/392615265.db2.gz IHIDUNZUMDJHSF-STQMWFEESA-N 2 1 262.388 3.117 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000161879048 392587895 /nfs/dbraw/zinc/58/78/95/392587895.db2.gz XWYRQYUQTYMVLA-GDBMZVCRSA-N 2 1 293.430 3.383 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163661092 392604841 /nfs/dbraw/zinc/60/48/41/392604841.db2.gz DBPSMYUCNBEFBO-DJIMGWMZSA-N 2 1 260.425 3.080 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163661092 392604848 /nfs/dbraw/zinc/60/48/48/392604848.db2.gz DBPSMYUCNBEFBO-DJIMGWMZSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374335686 392675742 /nfs/dbraw/zinc/67/57/42/392675742.db2.gz YLTYNIKLDXXGQB-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374335686 392675754 /nfs/dbraw/zinc/67/57/54/392675754.db2.gz YLTYNIKLDXXGQB-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC[N@@H+]1C ZINC000647331320 392675930 /nfs/dbraw/zinc/67/59/30/392675930.db2.gz YJVPONATBUSANO-XJKSGUPXSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC[N@H+]1C ZINC000647331320 392675940 /nfs/dbraw/zinc/67/59/40/392675940.db2.gz YJVPONATBUSANO-XJKSGUPXSA-N 2 1 276.399 3.277 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000647289966 392640569 /nfs/dbraw/zinc/64/05/69/392640569.db2.gz RCDZTGUZWSOBBJ-XIRDDKMYSA-N 2 1 275.440 3.241 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000647289966 392640576 /nfs/dbraw/zinc/64/05/76/392640576.db2.gz RCDZTGUZWSOBBJ-XIRDDKMYSA-N 2 1 275.440 3.241 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000311082252 392659811 /nfs/dbraw/zinc/65/98/11/392659811.db2.gz NVPLEWLPPZCKPX-VXGBXAGGSA-N 2 1 268.367 3.426 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000311082252 392659820 /nfs/dbraw/zinc/65/98/20/392659820.db2.gz NVPLEWLPPZCKPX-VXGBXAGGSA-N 2 1 268.367 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000311082250 392660036 /nfs/dbraw/zinc/66/00/36/392660036.db2.gz NVPLEWLPPZCKPX-RYUDHWBXSA-N 2 1 268.367 3.426 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000311082250 392660040 /nfs/dbraw/zinc/66/00/40/392660040.db2.gz NVPLEWLPPZCKPX-RYUDHWBXSA-N 2 1 268.367 3.426 20 0 CGADMP CCCc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482507 392736843 /nfs/dbraw/zinc/73/68/43/392736843.db2.gz KNGKOXJKZINDCC-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP C[N@@H+](CC(C)(C)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487233 392738920 /nfs/dbraw/zinc/73/89/20/392738920.db2.gz NGBJQJZACPCUAS-SJPCQFCGSA-N 2 1 272.436 3.179 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000647485289 392739060 /nfs/dbraw/zinc/73/90/60/392739060.db2.gz MEWOGGZGXGSIFF-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP c1c2ccccc2[nH]c1[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000647514053 392746462 /nfs/dbraw/zinc/74/64/62/392746462.db2.gz DSGSUEQLZMNRSO-QGZVFWFLSA-N 2 1 297.446 3.347 20 0 CGADMP Clc1cscc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545741 392762479 /nfs/dbraw/zinc/76/24/79/392762479.db2.gz LBYHAQVCMJPCLW-NEPJUHHUSA-N 2 1 284.856 3.223 20 0 CGADMP CC1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000334349880 392721994 /nfs/dbraw/zinc/72/19/94/392721994.db2.gz FDJIHRHLSHNISC-LRSKPHEKSA-N 2 1 258.409 3.210 20 0 CGADMP CC1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000334349880 392722002 /nfs/dbraw/zinc/72/20/02/392722002.db2.gz FDJIHRHLSHNISC-LRSKPHEKSA-N 2 1 258.409 3.210 20 0 CGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000187802903 392792181 /nfs/dbraw/zinc/79/21/81/392792181.db2.gz OTKVVIIQCONFDD-GOSISDBHSA-N 2 1 272.436 3.481 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000510698952 392809847 /nfs/dbraw/zinc/80/98/47/392809847.db2.gz ANHNYXKMLSDCTR-OAGGEKHMSA-N 2 1 270.436 3.226 20 0 CGADMP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647876878 392821034 /nfs/dbraw/zinc/82/10/34/392821034.db2.gz BWDARIOCZBUXPY-AWEZNQCLSA-N 2 1 266.816 3.160 20 0 CGADMP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647876879 392821074 /nfs/dbraw/zinc/82/10/74/392821074.db2.gz BWDARIOCZBUXPY-CQSZACIVSA-N 2 1 266.816 3.160 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647874636 392821311 /nfs/dbraw/zinc/82/13/11/392821311.db2.gz IMHLDXWVOKSQSX-OLZOCXBDSA-N 2 1 258.365 3.035 20 0 CGADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000647884331 392824427 /nfs/dbraw/zinc/82/44/27/392824427.db2.gz BPRHVDBVVXKZKA-QGZVFWFLSA-N 2 1 282.472 3.047 20 0 CGADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647884603 392826839 /nfs/dbraw/zinc/82/68/39/392826839.db2.gz MVUIPCPEBIJIMA-AWEZNQCLSA-N 2 1 276.424 3.165 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000647890050 392828811 /nfs/dbraw/zinc/82/88/11/392828811.db2.gz KBYORWLKERAGAY-AEFFLSMTSA-N 2 1 292.442 3.324 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000647890053 392829265 /nfs/dbraw/zinc/82/92/65/392829265.db2.gz KBYORWLKERAGAY-WMZOPIPTSA-N 2 1 292.442 3.324 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000337495917 392888201 /nfs/dbraw/zinc/88/82/01/392888201.db2.gz FJFQDLBJNJBMDO-YRGRVCCFSA-N 2 1 274.399 3.130 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000375999329 392851570 /nfs/dbraw/zinc/85/15/70/392851570.db2.gz KGZVOQRFIILHGB-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977064 392855188 /nfs/dbraw/zinc/85/51/88/392855188.db2.gz XPTNESCMPDCYOJ-KBAYOESNSA-N 2 1 272.436 3.459 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC000515251621 392859897 /nfs/dbraw/zinc/85/98/97/392859897.db2.gz AKELXFIIDOLQTQ-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000647992171 392860297 /nfs/dbraw/zinc/86/02/97/392860297.db2.gz NLRYZWFRCWHIMG-NHYWBVRUSA-N 2 1 282.378 3.251 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194543123 392927153 /nfs/dbraw/zinc/92/71/53/392927153.db2.gz YUTSTKBDHHNFLH-OKILXGFUSA-N 2 1 298.352 3.007 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000401493077 392951486 /nfs/dbraw/zinc/95/14/86/392951486.db2.gz ZQVHQUFSFWMRHN-HZPDHXFCSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000339440078 392956088 /nfs/dbraw/zinc/95/60/88/392956088.db2.gz XKAZXYWXHCZKQE-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000339440078 392956091 /nfs/dbraw/zinc/95/60/91/392956091.db2.gz XKAZXYWXHCZKQE-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000339440078 392956095 /nfs/dbraw/zinc/95/60/95/392956095.db2.gz XKAZXYWXHCZKQE-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000403264209 392957239 /nfs/dbraw/zinc/95/72/39/392957239.db2.gz YQRKDWKXJUBSCO-ZHALLVOQSA-N 2 1 284.447 3.429 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccncc2)C[C@@H]1c1ccccc1 ZINC000340266803 392968077 /nfs/dbraw/zinc/96/80/77/392968077.db2.gz WUEIKWXUZVRDPD-RBUKOAKNSA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)C[C@@H]1c1ccccc1 ZINC000340266803 392968086 /nfs/dbraw/zinc/96/80/86/392968086.db2.gz WUEIKWXUZVRDPD-RBUKOAKNSA-N 2 1 295.430 3.049 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340389922 392972242 /nfs/dbraw/zinc/97/22/42/392972242.db2.gz HSNXPJVTIJQGFT-BSWAZPDLSA-N 2 1 290.476 3.163 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340389922 392972247 /nfs/dbraw/zinc/97/22/47/392972247.db2.gz HSNXPJVTIJQGFT-BSWAZPDLSA-N 2 1 290.476 3.163 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224110692 393010462 /nfs/dbraw/zinc/01/04/62/393010462.db2.gz HFIFBXQSNJZNCS-AVGNSLFASA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224110692 393010468 /nfs/dbraw/zinc/01/04/68/393010468.db2.gz HFIFBXQSNJZNCS-AVGNSLFASA-N 2 1 252.427 3.190 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000648426643 393012628 /nfs/dbraw/zinc/01/26/28/393012628.db2.gz KVDLBIPXLHDGRY-BRWVUGGUSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)s1)[C@H](C)[NH3+] ZINC000415003348 393087545 /nfs/dbraw/zinc/08/75/45/393087545.db2.gz FVMJXYQKSGIDSS-NWDGAFQWSA-N 2 1 260.406 3.240 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000415002572 393087931 /nfs/dbraw/zinc/08/79/31/393087931.db2.gz DWCGMBGIXSKCKQ-HUUCEWRRSA-N 2 1 268.404 3.487 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346834900 393096793 /nfs/dbraw/zinc/09/67/93/393096793.db2.gz NIXIBBVBEVWRIL-YJBOKZPZSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415017315 393098251 /nfs/dbraw/zinc/09/82/51/393098251.db2.gz POUWZWZIGGGCOC-STQMWFEESA-N 2 1 288.366 3.443 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344295324 393041348 /nfs/dbraw/zinc/04/13/48/393041348.db2.gz JVKVPCLYNOSAJA-NUEKZKHPSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000414677737 393050370 /nfs/dbraw/zinc/05/03/70/393050370.db2.gz JMAWTSVAPUEHTK-OLZOCXBDSA-N 2 1 252.427 3.258 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccs1 ZINC000414677737 393050375 /nfs/dbraw/zinc/05/03/75/393050375.db2.gz JMAWTSVAPUEHTK-OLZOCXBDSA-N 2 1 252.427 3.258 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414831281 393054788 /nfs/dbraw/zinc/05/47/88/393054788.db2.gz CGCVSOMPSJAXPU-DOMZBBRYSA-N 2 1 268.832 3.234 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C[NH3+])CC(C)C)CC3 ZINC000414853706 393056319 /nfs/dbraw/zinc/05/63/19/393056319.db2.gz SUTCOXRKBXQZKW-CABCVRRESA-N 2 1 299.462 3.297 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038129 393106667 /nfs/dbraw/zinc/10/66/67/393106667.db2.gz HJVCADZVKZRLHZ-NVXWUHKLSA-N 2 1 290.476 3.373 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000414949668 393058678 /nfs/dbraw/zinc/05/86/78/393058678.db2.gz GJJLTIYSOVHWRH-BHYGNILZSA-N 2 1 260.425 3.156 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414951691 393060975 /nfs/dbraw/zinc/06/09/75/393060975.db2.gz PYRJVZDEPZLSFK-AAEUAGOBSA-N 2 1 266.816 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000414954697 393063054 /nfs/dbraw/zinc/06/30/54/393063054.db2.gz SXXYLFNNNVJJCA-MWLCHTKSSA-N 2 1 290.304 3.075 20 0 CGADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000414958456 393064484 /nfs/dbraw/zinc/06/44/84/393064484.db2.gz DDPDUMRNRRMAQL-MOPGFXCFSA-N 2 1 295.430 3.160 20 0 CGADMP COCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)c1ccccc1 ZINC000348079036 393111881 /nfs/dbraw/zinc/11/18/81/393111881.db2.gz PYZLRZRTTMYIKI-SJLPKXTDSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)c1ccccc1 ZINC000348079036 393111890 /nfs/dbraw/zinc/11/18/90/393111890.db2.gz PYZLRZRTTMYIKI-SJLPKXTDSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)c1ccccc1 ZINC000348079036 393111895 /nfs/dbraw/zinc/11/18/95/393111895.db2.gz PYZLRZRTTMYIKI-SJLPKXTDSA-N 2 1 290.451 3.180 20 0 CGADMP COCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)c1ccccc1 ZINC000348079036 393111900 /nfs/dbraw/zinc/11/19/00/393111900.db2.gz PYZLRZRTTMYIKI-SJLPKXTDSA-N 2 1 290.451 3.180 20 0 CGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415056524 393116597 /nfs/dbraw/zinc/11/65/97/393116597.db2.gz SDNIAGLZFUDXHM-BHYGNILZSA-N 2 1 260.425 3.014 20 0 CGADMP Clc1csc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054144 393117050 /nfs/dbraw/zinc/11/70/50/393117050.db2.gz PLNYORBVEGHYJR-RISCZKNCSA-N 2 1 284.856 3.366 20 0 CGADMP Clc1csc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054144 393117056 /nfs/dbraw/zinc/11/70/56/393117056.db2.gz PLNYORBVEGHYJR-RISCZKNCSA-N 2 1 284.856 3.366 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058780 393119208 /nfs/dbraw/zinc/11/92/08/393119208.db2.gz WFBPYDWQIFFUIT-CMDLKFMISA-N 2 1 288.410 3.303 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415059481 393120146 /nfs/dbraw/zinc/12/01/46/393120146.db2.gz YEPLCGUSKHVADP-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058784 393120549 /nfs/dbraw/zinc/12/05/49/393120549.db2.gz WFBPYDWQIFFUIT-NDIJEHHESA-N 2 1 288.410 3.303 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000415060169 393122085 /nfs/dbraw/zinc/12/20/85/393122085.db2.gz YHNRHKWBLPOROJ-KYJSFNMBSA-N 2 1 290.426 3.393 20 0 CGADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415063839 393124548 /nfs/dbraw/zinc/12/45/48/393124548.db2.gz BELPGWQIHYGBBF-UHFFFAOYSA-N 2 1 299.393 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000252893653 393127958 /nfs/dbraw/zinc/12/79/58/393127958.db2.gz RFVZMEFQLGEEDO-BXUZGUMPSA-N 2 1 286.341 3.135 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415072342 393130343 /nfs/dbraw/zinc/13/03/43/393130343.db2.gz XWMJZXVICALDFR-KSSFIOAISA-N 2 1 290.451 3.123 20 0 CGADMP c1csc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415083900 393136348 /nfs/dbraw/zinc/13/63/48/393136348.db2.gz GCCXVZIRNLTFNR-GDBMZVCRSA-N 2 1 272.417 3.331 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415087329 393138363 /nfs/dbraw/zinc/13/83/63/393138363.db2.gz SSSRDXUCJMPURZ-LRDDRELGSA-N 2 1 282.378 3.395 20 0 CGADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1OC1CCC1 ZINC000415085109 393138669 /nfs/dbraw/zinc/13/86/69/393138669.db2.gz HWXGHSNUWZQMKD-GDBMZVCRSA-N 2 1 288.435 3.238 20 0 CGADMP c1ccc(C(C[NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415090966 393142720 /nfs/dbraw/zinc/14/27/20/393142720.db2.gz ZZZPCJAMFJGNIX-GOSISDBHSA-N 2 1 280.415 3.160 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415136005 393155308 /nfs/dbraw/zinc/15/53/08/393155308.db2.gz WXQLHVMPAVQPRV-DOTOQJQBSA-N 2 1 290.451 3.138 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000151934276 292010110 /nfs/dbraw/zinc/01/01/10/292010110.db2.gz FERNGQIDGBSPTI-MRXNPFEDSA-N 2 1 276.424 3.058 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)CCCO2 ZINC000423382300 292010375 /nfs/dbraw/zinc/01/03/75/292010375.db2.gz OVCOJJRIGYHOKS-ZMSDIMECSA-N 2 1 288.435 3.247 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000475348632 393394971 /nfs/dbraw/zinc/39/49/71/393394971.db2.gz FKANFEHATCIWCT-JOCBIADPSA-N 2 1 274.452 3.499 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000474615379 393341480 /nfs/dbraw/zinc/34/14/80/393341480.db2.gz JGSBBHOEXFGZBH-OAGGEKHMSA-N 2 1 252.446 3.131 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000474822033 393351654 /nfs/dbraw/zinc/35/16/54/393351654.db2.gz NPYGTTYDUBKNBB-AIANPOQGSA-N 2 1 290.451 3.260 20 0 CGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000474822033 393351658 /nfs/dbraw/zinc/35/16/58/393351658.db2.gz NPYGTTYDUBKNBB-AIANPOQGSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)C1CCCC1 ZINC000474927033 393358538 /nfs/dbraw/zinc/35/85/38/393358538.db2.gz QDFZIZNGSXGCSR-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420388803 393479814 /nfs/dbraw/zinc/47/98/14/393479814.db2.gz WZEXAPUOIATSMU-IRXDYDNUSA-N 2 1 276.399 3.352 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420380438 393479846 /nfs/dbraw/zinc/47/98/46/393479846.db2.gz WQZGNZLTZCQFLQ-VNQPRFMTSA-N 2 1 276.424 3.000 20 0 CGADMP CC1=C(C)C[NH+](CCOCC[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483382336 393443054 /nfs/dbraw/zinc/44/30/54/393443054.db2.gz KRPPKUZHOXXAGT-UHFFFAOYSA-N 2 1 292.467 3.087 20 0 CGADMP Cc1c(Br)cccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000420287555 393449558 /nfs/dbraw/zinc/44/95/58/393449558.db2.gz IFHZIPCILQPERQ-UHFFFAOYSA-N 2 1 299.256 3.174 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294943 393451551 /nfs/dbraw/zinc/45/15/51/393451551.db2.gz BOFUIUKPEXWANU-INMHGKMJSA-N 2 1 290.426 3.393 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294944 393451609 /nfs/dbraw/zinc/45/16/09/393451609.db2.gz BOFUIUKPEXWANU-VYDXJSESSA-N 2 1 290.426 3.393 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCc1cccc(F)c1 ZINC000420295986 393453084 /nfs/dbraw/zinc/45/30/84/393453084.db2.gz WKBIUZNQCXCSIX-MRXNPFEDSA-N 2 1 266.404 3.064 20 0 CGADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(F)c1 ZINC000420301776 393455373 /nfs/dbraw/zinc/45/53/73/393455373.db2.gz JDBOGGQSXATCJP-CQSZACIVSA-N 2 1 264.388 3.036 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420305715 393457338 /nfs/dbraw/zinc/45/73/38/393457338.db2.gz QARPGFVFLLWMRB-OALUTQOASA-N 2 1 286.463 3.392 20 0 CGADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000420318761 393463445 /nfs/dbraw/zinc/46/34/45/393463445.db2.gz OUPPGNGTTDMNBQ-DYVFJYSZSA-N 2 1 254.377 3.324 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000420320548 393465342 /nfs/dbraw/zinc/46/53/42/393465342.db2.gz QOTKNSUMWOJMCG-QFBILLFUSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420324406 393467601 /nfs/dbraw/zinc/46/76/01/393467601.db2.gz VGMWVEHKTKFGPL-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420369250 393476416 /nfs/dbraw/zinc/47/64/16/393476416.db2.gz OGGCNMWQQMEHMQ-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000429554380 393476635 /nfs/dbraw/zinc/47/66/35/393476635.db2.gz JEVLBPZRVNJUDV-VQIMIIECSA-N 2 1 286.463 3.208 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000420373623 393477966 /nfs/dbraw/zinc/47/79/66/393477966.db2.gz MRLWSFPMKBFRML-UWVGGRQHSA-N 2 1 273.207 3.254 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488290687 393479502 /nfs/dbraw/zinc/47/95/02/393479502.db2.gz HIUKTPNZOZNGQV-KBAYOESNSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488290687 393479507 /nfs/dbraw/zinc/47/95/07/393479507.db2.gz HIUKTPNZOZNGQV-KBAYOESNSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488290687 393479513 /nfs/dbraw/zinc/47/95/13/393479513.db2.gz HIUKTPNZOZNGQV-KBAYOESNSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248904 393412310 /nfs/dbraw/zinc/41/23/10/393412310.db2.gz NQVHNIIHEFBTGN-XOYOTBSWSA-N 2 1 272.436 3.110 20 0 CGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)C12CCCC2 ZINC000359214371 393540652 /nfs/dbraw/zinc/54/06/52/393540652.db2.gz IRZUCKMPSZBIDJ-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420407214 393484561 /nfs/dbraw/zinc/48/45/61/393484561.db2.gz OFSCRJHOIHDYSN-CJNGLKHVSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420407214 393484567 /nfs/dbraw/zinc/48/45/67/393484567.db2.gz OFSCRJHOIHDYSN-CJNGLKHVSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420400294 393484905 /nfs/dbraw/zinc/48/49/05/393484905.db2.gz IKDZYRLNTVZSNW-TVQRCGJNSA-N 2 1 272.314 3.093 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000488416062 393504417 /nfs/dbraw/zinc/50/44/17/393504417.db2.gz ULWUHHZGYPZJGT-YOEHRIQHSA-N 2 1 260.425 3.272 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000488438173 393512650 /nfs/dbraw/zinc/51/26/50/393512650.db2.gz FUTVCJKZSSLMFM-FXQLRMTLSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C1CC([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000488438173 393512655 /nfs/dbraw/zinc/51/26/55/393512655.db2.gz FUTVCJKZSSLMFM-FXQLRMTLSA-N 2 1 252.446 3.274 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000430023058 393513251 /nfs/dbraw/zinc/51/32/51/393513251.db2.gz NGGQFXWGFLKAEU-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000430023058 393513256 /nfs/dbraw/zinc/51/32/56/393513256.db2.gz NGGQFXWGFLKAEU-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)[C@@H](C)C1 ZINC000358084233 393519324 /nfs/dbraw/zinc/51/93/24/393519324.db2.gz MIVHFENRJHUXIJ-IKJBURDNSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cccc(N2CCC([NH2+]C3CC(C(C)C)C3)CC2)[nH+]1 ZINC000488459172 393522767 /nfs/dbraw/zinc/52/27/67/393522767.db2.gz NRVQHZBXIPJZQV-UHFFFAOYSA-N 2 1 287.451 3.383 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC000488468460 393525091 /nfs/dbraw/zinc/52/50/91/393525091.db2.gz RWXIDFWTZNPJRS-OAGGEKHMSA-N 2 1 284.513 3.227 20 0 CGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146681 393529772 /nfs/dbraw/zinc/52/97/72/393529772.db2.gz HMMHWLAYDGLUIR-QGZVFWFLSA-N 2 1 288.366 3.100 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146681 393529774 /nfs/dbraw/zinc/52/97/74/393529774.db2.gz HMMHWLAYDGLUIR-QGZVFWFLSA-N 2 1 288.366 3.100 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146681 393529777 /nfs/dbraw/zinc/52/97/77/393529777.db2.gz HMMHWLAYDGLUIR-QGZVFWFLSA-N 2 1 288.366 3.100 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663142 393532132 /nfs/dbraw/zinc/53/21/32/393532132.db2.gz ZEMVDFAKXPMUBO-MSOLQXFVSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663142 393532137 /nfs/dbraw/zinc/53/21/37/393532137.db2.gz ZEMVDFAKXPMUBO-MSOLQXFVSA-N 2 1 290.426 3.273 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663142 393532142 /nfs/dbraw/zinc/53/21/42/393532142.db2.gz ZEMVDFAKXPMUBO-MSOLQXFVSA-N 2 1 290.426 3.273 20 0 CGADMP CC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000359026904 393533228 /nfs/dbraw/zinc/53/32/28/393533228.db2.gz GBWMTICJDVGPNI-LVDPKSTMSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C)cc(OCCC[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000430569474 393576157 /nfs/dbraw/zinc/57/61/57/393576157.db2.gz IWBCWLBDYSNKBW-KRWDZBQOSA-N 2 1 278.440 3.035 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCOc1cccc2ccccc21 ZINC000430562421 393577249 /nfs/dbraw/zinc/57/72/49/393577249.db2.gz DLVBTNMACLYTLI-MRXNPFEDSA-N 2 1 284.403 3.032 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1CCCOc1cccc2ccccc21 ZINC000430562421 393577253 /nfs/dbraw/zinc/57/72/53/393577253.db2.gz DLVBTNMACLYTLI-MRXNPFEDSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430579233 393577930 /nfs/dbraw/zinc/57/79/30/393577930.db2.gz YHQHKWVGCDAWRQ-KGLIPLIRSA-N 2 1 296.842 3.168 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000430754161 393593690 /nfs/dbraw/zinc/59/36/90/393593690.db2.gz MTZAGWVZCWIFTQ-MLHJIOFPSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000360835377 393594564 /nfs/dbraw/zinc/59/45/64/393594564.db2.gz KSMCMGQRMLMJJV-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000360835377 393594567 /nfs/dbraw/zinc/59/45/67/393594567.db2.gz KSMCMGQRMLMJJV-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CCC2 ZINC000360861687 393601432 /nfs/dbraw/zinc/60/14/32/393601432.db2.gz SXMJZAWJNYQTII-NEPJUHHUSA-N 2 1 281.469 3.013 20 0 CGADMP CCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432367288 393605741 /nfs/dbraw/zinc/60/57/41/393605741.db2.gz JXGRHLNZDMGZMQ-GTPINHCMSA-N 2 1 282.472 3.046 20 0 CGADMP CCC1CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432367288 393605744 /nfs/dbraw/zinc/60/57/44/393605744.db2.gz JXGRHLNZDMGZMQ-GTPINHCMSA-N 2 1 282.472 3.046 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000430637005 393582677 /nfs/dbraw/zinc/58/26/77/393582677.db2.gz BTUBYGUVVBBNCW-CYBMUJFWSA-N 2 1 298.883 3.493 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000432367831 393607301 /nfs/dbraw/zinc/60/73/01/393607301.db2.gz MQFFEMJNYJGZBX-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000432367831 393607304 /nfs/dbraw/zinc/60/73/04/393607304.db2.gz MQFFEMJNYJGZBX-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC(CCC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432426557 393613120 /nfs/dbraw/zinc/61/31/20/393613120.db2.gz SEKNWZDCMRPYKT-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC(CCC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432426557 393613122 /nfs/dbraw/zinc/61/31/22/393613122.db2.gz SEKNWZDCMRPYKT-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000360921768 393615836 /nfs/dbraw/zinc/61/58/36/393615836.db2.gz JCJLCUWVJQSYBW-BSXFFOKHSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000360921768 393615838 /nfs/dbraw/zinc/61/58/38/393615838.db2.gz JCJLCUWVJQSYBW-BSXFFOKHSA-N 2 1 290.426 3.392 20 0 CGADMP C[N@@H+](CCc1ccc(F)c(F)c1)CC[C@H]1CCCC[NH+]1C ZINC000489877510 393618940 /nfs/dbraw/zinc/61/89/40/393618940.db2.gz XPJUZXNKAWXPFZ-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP C[N@H+](CCc1ccc(F)c(F)c1)CC[C@H]1CCCC[NH+]1C ZINC000489877510 393618945 /nfs/dbraw/zinc/61/89/45/393618945.db2.gz XPJUZXNKAWXPFZ-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](CCc1ccc(F)c(F)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000489877510 393618949 /nfs/dbraw/zinc/61/89/49/393618949.db2.gz XPJUZXNKAWXPFZ-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](CCc1ccc(F)c(F)c1)CC[C@H]1CCCC[N@H+]1C ZINC000489877510 393618953 /nfs/dbraw/zinc/61/89/53/393618953.db2.gz XPJUZXNKAWXPFZ-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccc(F)c(F)c2)CC1 ZINC000490062670 393629442 /nfs/dbraw/zinc/62/94/42/393629442.db2.gz QNXMEWRFDIPUDJ-UHFFFAOYSA-N 2 1 296.405 3.312 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432787528 393639906 /nfs/dbraw/zinc/63/99/06/393639906.db2.gz HDIMDYTXPUOUPA-SJLPKXTDSA-N 2 1 274.452 3.281 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422829933 393644770 /nfs/dbraw/zinc/64/47/70/393644770.db2.gz CHZSTNNWTZKWSZ-ULQDDVLXSA-N 2 1 290.476 3.137 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000423142660 393651549 /nfs/dbraw/zinc/65/15/49/393651549.db2.gz BAGVFLBEUHWXEC-KXUCPTDWSA-N 2 1 258.768 3.256 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cn1 ZINC000423175359 393653321 /nfs/dbraw/zinc/65/33/21/393653321.db2.gz DTVPFTKAQGPIDC-OAHLLOKOSA-N 2 1 279.403 3.169 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423262193 393657567 /nfs/dbraw/zinc/65/75/67/393657567.db2.gz LYSWCYKTVGPVQT-ZFWWWQNUSA-N 2 1 266.816 3.290 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CC(C)(C)[NH3+])CCS2 ZINC000423286781 393658985 /nfs/dbraw/zinc/65/89/85/393658985.db2.gz ITKMCQGJKFNEJW-CYBMUJFWSA-N 2 1 264.438 3.167 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CCC2)C2CCCC2)o1 ZINC000423321335 393661431 /nfs/dbraw/zinc/66/14/31/393661431.db2.gz HFHCGLYAPCHKIR-HNNXBMFYSA-N 2 1 262.397 3.290 20 0 CGADMP C[C@@]1(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423345352 393662536 /nfs/dbraw/zinc/66/25/36/393662536.db2.gz YVQNVDKIGRMNTN-NVXWUHKLSA-N 2 1 292.398 3.019 20 0 CGADMP Cc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c(C)c[nH+]c12 ZINC000443428423 393756406 /nfs/dbraw/zinc/75/64/06/393756406.db2.gz ONWJDWYEDVAEHZ-CVEARBPZSA-N 2 1 295.430 3.312 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361173929 393692862 /nfs/dbraw/zinc/69/28/62/393692862.db2.gz OZARKUMVBZXWCG-FVQHAEBGSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H](C)C1 ZINC000361181995 393696035 /nfs/dbraw/zinc/69/60/35/393696035.db2.gz UMVRVAYOBNMEPP-CZUORRHYSA-N 2 1 273.424 3.103 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCCC3)[C@H](C)C1 ZINC000361181995 393696039 /nfs/dbraw/zinc/69/60/39/393696039.db2.gz UMVRVAYOBNMEPP-CZUORRHYSA-N 2 1 273.424 3.103 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449204883 393876860 /nfs/dbraw/zinc/87/68/60/393876860.db2.gz JWXJGVOSPFGNJL-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502914827 393887863 /nfs/dbraw/zinc/88/78/63/393887863.db2.gz RDHRXSXQZQIHIB-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1C(C)(C)C1(C)C ZINC000449560479 393903640 /nfs/dbraw/zinc/90/36/40/393903640.db2.gz LRCBPQDXWSHKPD-FUDCBSFHSA-N 2 1 264.457 3.272 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560376 393903746 /nfs/dbraw/zinc/90/37/46/393903746.db2.gz KDCNWGNWBHIEJX-MKXAEBJUSA-N 2 1 262.441 3.194 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 ZINC000449620854 393923988 /nfs/dbraw/zinc/92/39/88/393923988.db2.gz XHSTZIRCFAGJMY-JCNLHEQBSA-N 2 1 288.435 3.015 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCC1 ZINC000453390132 394228551 /nfs/dbraw/zinc/22/85/51/394228551.db2.gz CXZOQGYRQWXIOT-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)o1 ZINC000453393768 394230881 /nfs/dbraw/zinc/23/08/81/394230881.db2.gz GHGDFCMFMBCZOD-CYBMUJFWSA-N 2 1 264.413 3.421 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453403155 394235381 /nfs/dbraw/zinc/23/53/81/394235381.db2.gz AQGKFBLDLSQZAQ-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP CC(C)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccnc1 ZINC000453411468 394238395 /nfs/dbraw/zinc/23/83/95/394238395.db2.gz VOMXUUXHIMARSK-KRWDZBQOSA-N 2 1 275.440 3.243 20 0 CGADMP c1nc2n(c1CN1CCS[C@H](c3ccccc3)C1)CCC2 ZINC000667643108 542902258 /nfs/dbraw/zinc/90/22/58/542902258.db2.gz UWKCVPQGUGJOEB-INIZCTEOSA-N 2 1 299.443 3.119 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12CCC2 ZINC000667953160 542949664 /nfs/dbraw/zinc/94/96/64/542949664.db2.gz SETBXJPXCPNKLU-HNNXBMFYSA-N 2 1 296.418 3.279 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12CCC2 ZINC000667953160 542949666 /nfs/dbraw/zinc/94/96/66/542949666.db2.gz SETBXJPXCPNKLU-HNNXBMFYSA-N 2 1 296.418 3.279 20 0 CGADMP CCCC[C@@H](C)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668181606 542982912 /nfs/dbraw/zinc/98/29/12/542982912.db2.gz NNDXMCXGLLHVTK-CQSZACIVSA-N 2 1 272.396 3.278 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CS1 ZINC000668818753 543066471 /nfs/dbraw/zinc/06/64/71/543066471.db2.gz KSTMLWKBWSAMHS-BBWFWOEESA-N 2 1 296.524 3.228 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)[C@H]1CC1(C)C ZINC000669419994 543104430 /nfs/dbraw/zinc/10/44/30/543104430.db2.gz ABGJVDPQELCSAT-MJBXVCDLSA-N 2 1 261.413 3.002 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000037916580 397609696 /nfs/dbraw/zinc/60/96/96/397609696.db2.gz AVDQIMNXCFRGRU-MSOLQXFVSA-N 2 1 272.436 3.267 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000037916579 397609893 /nfs/dbraw/zinc/60/98/93/397609893.db2.gz AVDQIMNXCFRGRU-ROUUACIJSA-N 2 1 272.436 3.267 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062078770 397638197 /nfs/dbraw/zinc/63/81/97/397638197.db2.gz XJSXPMDSBDOPCA-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062077737 397638434 /nfs/dbraw/zinc/63/84/34/397638434.db2.gz QTHIHHPLXTXYJZ-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000302318636 397676475 /nfs/dbraw/zinc/67/64/75/397676475.db2.gz QDZQAYQDHFMLLG-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1=CCCC1 ZINC000308767063 397681794 /nfs/dbraw/zinc/68/17/94/397681794.db2.gz GAOWNEWIZWZQNJ-CVEARBPZSA-N 2 1 262.441 3.339 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC2CCC1CC2 ZINC000392260350 397693122 /nfs/dbraw/zinc/69/31/22/397693122.db2.gz PSSNDIWDQFQIPL-RKHAHWSXSA-N 2 1 262.441 3.053 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3c1CCC3)CC[NH2+]CC2 ZINC000650704240 397897633 /nfs/dbraw/zinc/89/76/33/397897633.db2.gz OTSKMYZLWOXKEC-HNNXBMFYSA-N 2 1 284.447 3.139 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)[C@H]1CC[NH3+] ZINC000650711414 397898710 /nfs/dbraw/zinc/89/87/10/397898710.db2.gz SYZMGEZVLMPKMS-PBHICJAKSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)[C@H]1CC[NH3+] ZINC000650711414 397898711 /nfs/dbraw/zinc/89/87/11/397898711.db2.gz SYZMGEZVLMPKMS-PBHICJAKSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)[C@H]1CC[NH3+] ZINC000650711414 397898713 /nfs/dbraw/zinc/89/87/13/397898713.db2.gz SYZMGEZVLMPKMS-PBHICJAKSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)[C@H]1CC[NH3+] ZINC000650711414 397898715 /nfs/dbraw/zinc/89/87/15/397898715.db2.gz SYZMGEZVLMPKMS-PBHICJAKSA-N 2 1 298.434 3.026 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)[C@@H]1CC[NH3+] ZINC000650712252 397899635 /nfs/dbraw/zinc/89/96/35/397899635.db2.gz XTIXLJBKTIUVNN-RDTXWAMCSA-N 2 1 283.419 3.184 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724600 397902493 /nfs/dbraw/zinc/90/24/93/397902493.db2.gz IZRVPTFMJCXXLY-NXOAAHMSSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cc1F ZINC000650751946 397908783 /nfs/dbraw/zinc/90/87/83/397908783.db2.gz GCZJULJSEIZQMR-SNVBAGLBSA-N 2 1 294.320 3.413 20 0 CGADMP CS[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(C)(C)C ZINC000552066893 289157918 /nfs/dbraw/zinc/15/79/18/289157918.db2.gz TVHNQVAWWZGAOB-LJISPDSOSA-N 2 1 284.513 3.227 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccs1 ZINC000675883111 543370034 /nfs/dbraw/zinc/37/00/34/543370034.db2.gz WLLKTKMEYVWPQO-UKRRQHHQSA-N 2 1 294.464 3.042 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)C1 ZINC000676644688 543409693 /nfs/dbraw/zinc/40/96/93/543409693.db2.gz ZFGRGTGMYRUGKC-MXSMSXNCSA-N 2 1 294.483 3.044 20 0 CGADMP C(=C\C[N@H+]1CC[C@H](C2CC2)C1)\C[NH+]1CC[C@H](C2CC2)C1 ZINC000677905354 543471886 /nfs/dbraw/zinc/47/18/86/543471886.db2.gz SZQQATVIWYYYAB-QHNPVBQMSA-N 2 1 274.452 3.006 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCc2sccc2C1 ZINC000678075617 543481905 /nfs/dbraw/zinc/48/19/05/543481905.db2.gz GEUGIWHWRWYMSB-UHFFFAOYSA-N 2 1 289.448 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCc2sccc2C1 ZINC000678075617 543481906 /nfs/dbraw/zinc/48/19/06/543481906.db2.gz GEUGIWHWRWYMSB-UHFFFAOYSA-N 2 1 289.448 3.482 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340320 543516211 /nfs/dbraw/zinc/51/62/11/543516211.db2.gz SXYRXZPSDLSSAU-HKUYNNGSSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340320 543516212 /nfs/dbraw/zinc/51/62/12/543516212.db2.gz SXYRXZPSDLSSAU-HKUYNNGSSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340320 543516215 /nfs/dbraw/zinc/51/62/15/543516215.db2.gz SXYRXZPSDLSSAU-HKUYNNGSSA-N 2 1 284.447 3.480 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678425376 543524587 /nfs/dbraw/zinc/52/45/87/543524587.db2.gz ZMALZPIHCPFBEC-OCCSQVGLSA-N 2 1 286.423 3.190 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678429482 543526010 /nfs/dbraw/zinc/52/60/10/543526010.db2.gz WUZXBQWMPKEYOQ-CQSZACIVSA-N 2 1 286.423 3.334 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000678590106 543538296 /nfs/dbraw/zinc/53/82/96/543538296.db2.gz ZADSRUNETHEBFG-MSOLQXFVSA-N 2 1 286.463 3.472 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCCCC2)[C@H](C)C1 ZINC000678597903 543540899 /nfs/dbraw/zinc/54/08/99/543540899.db2.gz JUYURTCIMVZCMB-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423389826 297108148 /nfs/dbraw/zinc/10/81/48/297108148.db2.gz JUAJEBSXIJWRFK-UGFHNGPFSA-N 2 1 294.826 3.141 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000152002122 292240035 /nfs/dbraw/zinc/24/00/35/292240035.db2.gz ASTRFRKPQDDTJL-INMHGKMJSA-N 2 1 260.425 3.171 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1(CC)CC ZINC000422836930 286288252 /nfs/dbraw/zinc/28/82/52/286288252.db2.gz LABBUWUJOGCYQQ-APHBMKBZSA-N 2 1 291.439 3.129 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C12CCCC2 ZINC000353580841 286291661 /nfs/dbraw/zinc/29/16/61/286291661.db2.gz XZMOOAGGWHQPOR-BZUAXINKSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000353580841 286291662 /nfs/dbraw/zinc/29/16/62/286291662.db2.gz XZMOOAGGWHQPOR-BZUAXINKSA-N 2 1 282.472 3.043 20 0 CGADMP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000272035614 286359164 /nfs/dbraw/zinc/35/91/64/286359164.db2.gz NVJLEEVFOVXUMK-AEFFLSMTSA-N 2 1 288.435 3.220 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C12CCC2 ZINC000087708920 286538943 /nfs/dbraw/zinc/53/89/43/286538943.db2.gz ZCKOVWKMTYSENB-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1F ZINC000423333517 286911188 /nfs/dbraw/zinc/91/11/88/286911188.db2.gz HRVLFCYCCJHXMR-CVEARBPZSA-N 2 1 264.388 3.256 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000270930052 287022463 /nfs/dbraw/zinc/02/24/63/287022463.db2.gz PUHOHMALWHEWTP-HZPDHXFCSA-N 2 1 275.440 3.387 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC000081567844 287074385 /nfs/dbraw/zinc/07/43/85/287074385.db2.gz QGADSMWUPGBTRA-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000081567844 287074388 /nfs/dbraw/zinc/07/43/88/287074388.db2.gz QGADSMWUPGBTRA-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000086254375 165183219 /nfs/dbraw/zinc/18/32/19/165183219.db2.gz QVCYSILJMKSGKR-OAHLLOKOSA-N 2 1 283.419 3.330 20 0 CGADMP [NH3+]C[C@H]1CCC[C@@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000089106122 165199900 /nfs/dbraw/zinc/19/99/00/165199900.db2.gz JOHJGUMAMNWNGH-MFKMUULPSA-N 2 1 275.783 3.428 20 0 CGADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000089424959 165204995 /nfs/dbraw/zinc/20/49/95/165204995.db2.gz COBKFWHRDVVHHR-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000089424959 165204996 /nfs/dbraw/zinc/20/49/96/165204996.db2.gz COBKFWHRDVVHHR-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Cl)cc1 ZINC000089424959 165205000 /nfs/dbraw/zinc/20/50/00/165205000.db2.gz COBKFWHRDVVHHR-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(Cl)cc1 ZINC000089424959 165205002 /nfs/dbraw/zinc/20/50/02/165205002.db2.gz COBKFWHRDVVHHR-HNNXBMFYSA-N 2 1 266.816 3.256 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000090340187 165231625 /nfs/dbraw/zinc/23/16/25/165231625.db2.gz UPHAWYWFKYQQRF-ZBFHGGJFSA-N 2 1 276.424 3.220 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090469148 165236331 /nfs/dbraw/zinc/23/63/31/165236331.db2.gz GLYIVTAEYDYJSC-BQFCYCMXSA-N 2 1 274.452 3.164 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000090581208 165241392 /nfs/dbraw/zinc/24/13/92/165241392.db2.gz XLFDGKISEKVDKI-SJLPKXTDSA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(C)C)[C@H](C)C1 ZINC000090228116 287100345 /nfs/dbraw/zinc/10/03/45/287100345.db2.gz RUSKEPSPIIXTHU-HUUCEWRRSA-N 2 1 254.462 3.379 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000430711969 287107122 /nfs/dbraw/zinc/10/71/22/287107122.db2.gz GLWTURACUIBROD-LQKXBSAESA-N 2 1 252.446 3.131 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000092165375 165283154 /nfs/dbraw/zinc/28/31/54/165283154.db2.gz GMRMVIDGHSEIJJ-OAHLLOKOSA-N 2 1 250.430 3.149 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376675271 287107536 /nfs/dbraw/zinc/10/75/36/287107536.db2.gz XYSZENXFSNATSV-BIVLZKPYSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c2ccccc2n1 ZINC000092346005 165290326 /nfs/dbraw/zinc/29/03/26/165290326.db2.gz ZPLOKPQUDRJJLS-OAHLLOKOSA-N 2 1 283.419 3.104 20 0 CGADMP C[C@@H](CNc1cc[nH+]cc1Cl)C[NH+]1CCCCC1 ZINC000094272514 165345909 /nfs/dbraw/zinc/34/59/09/165345909.db2.gz GEKCKOLVCHLPLI-LBPRGKRZSA-N 2 1 267.804 3.269 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[NH+]1CCCC1 ZINC000094422859 165350406 /nfs/dbraw/zinc/35/04/06/165350406.db2.gz MBGINQKWESJCIW-GJZGRUSLSA-N 2 1 282.472 3.043 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)c2C)C1 ZINC000093742148 287118672 /nfs/dbraw/zinc/11/86/72/287118672.db2.gz JQXRPWLLIAPSRV-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000093742148 287118675 /nfs/dbraw/zinc/11/86/75/287118675.db2.gz JQXRPWLLIAPSRV-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000093742148 287118678 /nfs/dbraw/zinc/11/86/78/287118678.db2.gz JQXRPWLLIAPSRV-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCCOc2ccccc2)CC1 ZINC000109787050 287129810 /nfs/dbraw/zinc/12/98/10/287129810.db2.gz VXLJWKWSDHARJK-UHFFFAOYSA-N 2 1 290.451 3.262 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261602988 287139496 /nfs/dbraw/zinc/13/94/96/287139496.db2.gz CBWMRKOOAOGUMI-LRDDRELGSA-N 2 1 296.361 3.034 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000121204294 287194484 /nfs/dbraw/zinc/19/44/84/287194484.db2.gz QHWGXRKHENLXEB-LZLYRXPVSA-N 2 1 274.452 3.430 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124470738 287233888 /nfs/dbraw/zinc/23/38/88/287233888.db2.gz XQMPITAYCQMKDI-FUHWJXTLSA-N 2 1 297.531 3.064 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125220793 287241374 /nfs/dbraw/zinc/24/13/74/287241374.db2.gz OPJOSYGZTYTNLC-UGUYLWEFSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccn1 ZINC000020143253 171028922 /nfs/dbraw/zinc/02/89/22/171028922.db2.gz WISIRAROOQQQPM-LBPRGKRZSA-N 2 1 261.413 3.041 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000020189311 171054346 /nfs/dbraw/zinc/05/43/46/171054346.db2.gz FSROVXNEZKNTCH-UHFFFAOYSA-N 2 1 266.816 3.302 20 0 CGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523974 171236380 /nfs/dbraw/zinc/23/63/80/171236380.db2.gz RNRPOTBGWBRQDZ-HNSVSWJLSA-N 2 1 252.446 3.418 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000285569639 196330095 /nfs/dbraw/zinc/33/00/95/196330095.db2.gz GMMZDDRXIFCKSP-JJRVBVJISA-N 2 1 292.492 3.368 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037318579 173118872 /nfs/dbraw/zinc/11/88/72/173118872.db2.gz CFBBSYNBFJFLGY-UHFFFAOYSA-N 2 1 288.435 3.190 20 0 CGADMP FC(F)(F)c1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408277 173184301 /nfs/dbraw/zinc/18/43/01/173184301.db2.gz DOCSCFQRZRDFBC-CYBMUJFWSA-N 2 1 298.352 3.279 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037408245 173184652 /nfs/dbraw/zinc/18/46/52/173184652.db2.gz MZMSKCLLYIPQJV-MRXNPFEDSA-N 2 1 272.436 3.186 20 0 CGADMP CCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037408442 173185290 /nfs/dbraw/zinc/18/52/90/173185290.db2.gz RFQHMVHNEHTOEM-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP CCC[N@@H+](Cc1ccc2ccccc2n1)C1CC[NH2+]CC1 ZINC000037539279 173260130 /nfs/dbraw/zinc/26/01/30/173260130.db2.gz SWRPGFNULIUWJI-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000038098083 174112779 /nfs/dbraw/zinc/11/27/79/174112779.db2.gz SJBUMMDCCHWDDR-UHFFFAOYSA-N 2 1 276.399 3.146 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000127589266 287291609 /nfs/dbraw/zinc/29/16/09/287291609.db2.gz RMIUORDQCOCNNW-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527986 175192549 /nfs/dbraw/zinc/19/25/49/175192549.db2.gz GLCPLRIIBRRZSK-NWDGAFQWSA-N 2 1 284.350 3.020 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129234898 287327316 /nfs/dbraw/zinc/32/73/16/287327316.db2.gz VLVFLTVURPKEIW-AGIUHOORSA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000228922135 416523037 /nfs/dbraw/zinc/52/30/37/416523037.db2.gz HGQNCUWDWMWDSA-BBWFWOEESA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000314850074 416538412 /nfs/dbraw/zinc/53/84/12/416538412.db2.gz HZKBEPZJXCTXSJ-MRXNPFEDSA-N 2 1 263.429 3.301 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404403294 416553507 /nfs/dbraw/zinc/55/35/07/416553507.db2.gz SOFIWBUKWJYHNF-BBRMVZONSA-N 2 1 264.388 3.083 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1CCC2 ZINC000070499595 416491938 /nfs/dbraw/zinc/49/19/38/416491938.db2.gz YIGPJBOHRKHRFR-OALUTQOASA-N 2 1 284.447 3.139 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070358787 416492457 /nfs/dbraw/zinc/49/24/57/416492457.db2.gz KKTSOLMRNBTQAI-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC[C@@H]1[NH3+] ZINC000122378375 416503615 /nfs/dbraw/zinc/50/36/15/416503615.db2.gz CVTHUKVAXURZNT-PBHICJAKSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679438953 543637040 /nfs/dbraw/zinc/63/70/40/543637040.db2.gz OFYSUPCTMDSBLY-CQSZACIVSA-N 2 1 285.366 3.104 20 0 CGADMP Cc1nn(-c2ccncc2)cc1CN(C)Cc1ccsc1 ZINC000680326037 543697538 /nfs/dbraw/zinc/69/75/38/543697538.db2.gz AAUUHLJIQJQTLP-UHFFFAOYSA-N 2 1 298.415 3.269 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC000682076091 543822095 /nfs/dbraw/zinc/82/20/95/543822095.db2.gz STMIXJPGFLKIRZ-VQIMIIECSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682076091 543822098 /nfs/dbraw/zinc/82/20/98/543822098.db2.gz STMIXJPGFLKIRZ-VQIMIIECSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682076091 543822101 /nfs/dbraw/zinc/82/21/01/543822101.db2.gz STMIXJPGFLKIRZ-VQIMIIECSA-N 2 1 284.447 3.338 20 0 CGADMP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000683227870 543905604 /nfs/dbraw/zinc/90/56/04/543905604.db2.gz ABGDJYJHRVULCO-KRWDZBQOSA-N 2 1 290.451 3.098 20 0 CGADMP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000683227870 543905605 /nfs/dbraw/zinc/90/56/05/543905605.db2.gz ABGDJYJHRVULCO-KRWDZBQOSA-N 2 1 290.451 3.098 20 0 CGADMP CC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000683767032 543940093 /nfs/dbraw/zinc/94/00/93/543940093.db2.gz FYNCJCKATSKUHD-KRWDZBQOSA-N 2 1 272.436 3.288 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)c1 ZINC000684377340 543988357 /nfs/dbraw/zinc/98/83/57/543988357.db2.gz KOWRTWIACZFYSS-ZWKOTPCHSA-N 2 1 290.451 3.186 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C1CC1 ZINC000685459982 544075154 /nfs/dbraw/zinc/07/51/54/544075154.db2.gz QZTDELGFKRYATK-UHFFFAOYSA-N 2 1 260.425 3.338 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000685909873 544107054 /nfs/dbraw/zinc/10/70/54/544107054.db2.gz IJBPZQPPFBQRHO-DGCLKSJQSA-N 2 1 285.366 3.411 20 0 CGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000685909873 544107057 /nfs/dbraw/zinc/10/70/57/544107057.db2.gz IJBPZQPPFBQRHO-DGCLKSJQSA-N 2 1 285.366 3.411 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)s1 ZINC000652222000 418936737 /nfs/dbraw/zinc/93/67/37/418936737.db2.gz CAZKSRHSNPZISP-LBPRGKRZSA-N 2 1 269.458 3.080 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)s1 ZINC000652222000 418936739 /nfs/dbraw/zinc/93/67/39/418936739.db2.gz CAZKSRHSNPZISP-LBPRGKRZSA-N 2 1 269.458 3.080 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000652222187 418936985 /nfs/dbraw/zinc/93/69/85/418936985.db2.gz HFFULRJEUXXETQ-HNNXBMFYSA-N 2 1 290.451 3.345 20 0 CGADMP C[C@]1(c2cccc(F)c2)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000652350218 418956329 /nfs/dbraw/zinc/95/63/29/418956329.db2.gz MIXDNYGRIIHYQT-SFHVURJKSA-N 2 1 290.426 3.179 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC000149718037 287497555 /nfs/dbraw/zinc/49/75/55/287497555.db2.gz OPDKMRGMKYPYJX-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP c1cc2c(cc[nH+]c2NC[C@@H]2CC[N@H+]2Cc2ccccc2)[nH]1 ZINC000664632366 418988604 /nfs/dbraw/zinc/98/86/04/418988604.db2.gz RHZLWDUIEDUXBO-HNNXBMFYSA-N 2 1 292.386 3.249 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1C(F)(F)F ZINC000655753791 419087714 /nfs/dbraw/zinc/08/77/14/419087714.db2.gz FFYULWQEHSCYMF-UHFFFAOYSA-N 2 1 286.341 3.199 20 0 CGADMP C[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(C)(C)C ZINC000655757715 419088905 /nfs/dbraw/zinc/08/89/05/419088905.db2.gz JRWDWRKDSGQFMW-WBVHZDCISA-N 2 1 296.499 3.292 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000665248776 419092422 /nfs/dbraw/zinc/09/24/22/419092422.db2.gz CCIMOSULCRQNHA-ZDUSSCGKSA-N 2 1 262.397 3.154 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(OC)c(OC)c1 ZINC000665249572 419093039 /nfs/dbraw/zinc/09/30/39/419093039.db2.gz SXABOKHKPKZMAI-CQSZACIVSA-N 2 1 292.423 3.016 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253613 419093601 /nfs/dbraw/zinc/09/36/01/419093601.db2.gz XKLCBFGANAFUKH-WRFANHODSA-N 2 1 278.415 3.295 20 0 CGADMP CCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256347 419094282 /nfs/dbraw/zinc/09/42/82/419094282.db2.gz XCMPTMNFCRJUHT-KBAYOESNSA-N 2 1 290.451 3.309 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253610 419094386 /nfs/dbraw/zinc/09/43/86/419094386.db2.gz XKLCBFGANAFUKH-BQGCOEIASA-N 2 1 278.415 3.295 20 0 CGADMP COCc1csc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000665263493 419094941 /nfs/dbraw/zinc/09/49/41/419094941.db2.gz NDEPFZZOCSQRLR-HZPDHXFCSA-N 2 1 288.416 3.129 20 0 CGADMP C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1c[nH+]ccc1N ZINC000665273662 419098363 /nfs/dbraw/zinc/09/83/63/419098363.db2.gz BAGHMKIVTHJMME-CDWSIMAYSA-N 2 1 281.350 3.113 20 0 CGADMP CC(C)C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccs1 ZINC000665278040 419099997 /nfs/dbraw/zinc/09/99/97/419099997.db2.gz TXQDUXZGUSMVDZ-OWYJLGKBSA-N 2 1 264.438 3.177 20 0 CGADMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)c2ccccc21 ZINC000665279946 419100890 /nfs/dbraw/zinc/10/08/90/419100890.db2.gz PVNNDMPVIKSJSL-ZVLZOBCMSA-N 2 1 284.378 3.382 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000665298329 419110085 /nfs/dbraw/zinc/11/00/85/419110085.db2.gz UZGNTVXJDKOAAG-GJZGRUSLSA-N 2 1 260.425 3.084 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CS1 ZINC000655695353 419067288 /nfs/dbraw/zinc/06/72/88/419067288.db2.gz KFVCPQNQACNFPW-NVXWUHKLSA-N 2 1 292.492 3.382 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655716865 419076187 /nfs/dbraw/zinc/07/61/87/419076187.db2.gz ZEYAQNOCRGJIPY-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]1C[N@H+](Cc2cc(C(C)C)ccc2OC)CC[C@@H]1[NH3+] ZINC000655938738 419129226 /nfs/dbraw/zinc/12/92/26/419129226.db2.gz DQSZKLNMSQCTGR-YOEHRIQHSA-N 2 1 290.451 3.378 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(C(C)C)ccc2OC)CC[C@@H]1[NH3+] ZINC000655938738 419129230 /nfs/dbraw/zinc/12/92/30/419129230.db2.gz DQSZKLNMSQCTGR-YOEHRIQHSA-N 2 1 290.451 3.378 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000655942702 419129689 /nfs/dbraw/zinc/12/96/89/419129689.db2.gz XNXMFHUTNUHAAO-BBRMVZONSA-N 2 1 276.424 3.130 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000655942702 419129694 /nfs/dbraw/zinc/12/96/94/419129694.db2.gz XNXMFHUTNUHAAO-BBRMVZONSA-N 2 1 276.424 3.130 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CC1 ZINC000655941234 419129866 /nfs/dbraw/zinc/12/98/66/419129866.db2.gz OKCNYBPWXJCZOX-GDBMZVCRSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccccc1CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660122 419176594 /nfs/dbraw/zinc/17/65/94/419176594.db2.gz ULJHUYGROIRDNU-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660122 419176597 /nfs/dbraw/zinc/17/65/97/419176597.db2.gz ULJHUYGROIRDNU-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccccc1CCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660122 419176599 /nfs/dbraw/zinc/17/65/99/419176599.db2.gz ULJHUYGROIRDNU-LJQANCHMSA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660988 419177497 /nfs/dbraw/zinc/17/74/97/419177497.db2.gz YEOKUDQJMDCSCX-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCSc1ccccc1)C2 ZINC000660660131 419177720 /nfs/dbraw/zinc/17/77/20/419177720.db2.gz UPBIPSKJEUAJBW-QGZVFWFLSA-N 2 1 290.476 3.196 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCSc1ccccc1)C2 ZINC000660660131 419177723 /nfs/dbraw/zinc/17/77/23/419177723.db2.gz UPBIPSKJEUAJBW-QGZVFWFLSA-N 2 1 290.476 3.196 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCSc1ccccc1)C2 ZINC000660660131 419177724 /nfs/dbraw/zinc/17/77/24/419177724.db2.gz UPBIPSKJEUAJBW-QGZVFWFLSA-N 2 1 290.476 3.196 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCSc1ccccc1)C2 ZINC000660660131 419177727 /nfs/dbraw/zinc/17/77/27/419177727.db2.gz UPBIPSKJEUAJBW-QGZVFWFLSA-N 2 1 290.476 3.196 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656617944 419187356 /nfs/dbraw/zinc/18/73/56/419187356.db2.gz RMLALINSJRQQGI-HNNXBMFYSA-N 2 1 280.843 3.202 20 0 CGADMP C(C1CCCC1)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000655936670 419128464 /nfs/dbraw/zinc/12/84/64/419128464.db2.gz KPZJLXGBHOXLIY-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CCC[C@H]1CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000655949355 419128688 /nfs/dbraw/zinc/12/86/88/419128688.db2.gz UTGDLEZKDGDOGG-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941349 419128805 /nfs/dbraw/zinc/12/88/05/419128805.db2.gz RBOPIOJMMXWADS-HUUCEWRRSA-N 2 1 292.854 3.470 20 0 CGADMP CCc1cccc2cc(CNC[C@H]3CC[N@H+](CC)C3)oc21 ZINC000657314790 419248138 /nfs/dbraw/zinc/24/81/38/419248138.db2.gz ADAHMPUEFUWYRT-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@H]3CC[N@@H+](CC)C3)oc21 ZINC000657314790 419248139 /nfs/dbraw/zinc/24/81/39/419248139.db2.gz ADAHMPUEFUWYRT-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP CCc1cccc2cc(C[NH2+]C[C@H]3CC[N@H+](CC)C3)oc21 ZINC000657314790 419248141 /nfs/dbraw/zinc/24/81/41/419248141.db2.gz ADAHMPUEFUWYRT-CQSZACIVSA-N 2 1 286.419 3.427 20 0 CGADMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000657355487 419258494 /nfs/dbraw/zinc/25/84/94/419258494.db2.gz QAUDLVQIMHWCQP-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656692176 419203069 /nfs/dbraw/zinc/20/30/69/419203069.db2.gz LPWNHOYPCZXUIP-YJBOKZPZSA-N 2 1 292.467 3.162 20 0 CGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000656692176 419203073 /nfs/dbraw/zinc/20/30/73/419203073.db2.gz LPWNHOYPCZXUIP-YJBOKZPZSA-N 2 1 292.467 3.162 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1F ZINC000656785979 419219560 /nfs/dbraw/zinc/21/95/60/419219560.db2.gz OSGZQVQTIUZBLI-CQSZACIVSA-N 2 1 294.389 3.176 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1cccc2ncccc12 ZINC000661130081 419233117 /nfs/dbraw/zinc/23/31/17/419233117.db2.gz BUVLXSXQRNMJKK-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2ncccc12 ZINC000661130081 419233119 /nfs/dbraw/zinc/23/31/19/419233119.db2.gz BUVLXSXQRNMJKK-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2ncccc12 ZINC000661130081 419233122 /nfs/dbraw/zinc/23/31/22/419233122.db2.gz BUVLXSXQRNMJKK-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]CCCC[N@H+](C)C3CC3)cc21 ZINC000657488075 419291951 /nfs/dbraw/zinc/29/19/51/419291951.db2.gz OKFNPFUVNSMXNR-UHFFFAOYSA-N 2 1 285.435 3.440 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661873263 419309817 /nfs/dbraw/zinc/30/98/17/419309817.db2.gz DTBWFSXBCYJIPO-MSOLQXFVSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000657590235 419311626 /nfs/dbraw/zinc/31/16/26/419311626.db2.gz YHGDYALTTMLQLS-JZAWBGDQSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)[C@H](C)C2 ZINC000657698761 419329580 /nfs/dbraw/zinc/32/95/80/419329580.db2.gz YLSCNKICACSFBR-MYZZLAAOSA-N 2 1 284.447 3.445 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751933 419337044 /nfs/dbraw/zinc/33/70/44/419337044.db2.gz WIPYXCYMBOQBJP-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000657753460 419337433 /nfs/dbraw/zinc/33/74/33/419337433.db2.gz WKLCCWQFUXMVKD-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]CC3CC3)C3(CCC3)C2)cc1 ZINC000657773639 419343124 /nfs/dbraw/zinc/34/31/24/419343124.db2.gz UKHDEXWLMWROIA-GOSISDBHSA-N 2 1 284.447 3.288 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccn1 ZINC000179460647 287538393 /nfs/dbraw/zinc/53/83/93/287538393.db2.gz HPVKNZPUWPLWFM-INIZCTEOSA-N 2 1 275.440 3.388 20 0 CGADMP CC(C)(C[NH2+][C@H]1CCCSCC1)[NH+]1CCCCC1 ZINC000657819264 419368212 /nfs/dbraw/zinc/36/82/12/419368212.db2.gz WQJOTMNSSKBPNB-AWEZNQCLSA-N 2 1 270.486 3.126 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662236541 419369403 /nfs/dbraw/zinc/36/94/03/419369403.db2.gz FDKJKDXHEVGDDW-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662257784 419372762 /nfs/dbraw/zinc/37/27/62/419372762.db2.gz PWZACBJUPMBPDG-UHFFFAOYSA-N 2 1 286.444 3.334 20 0 CGADMP Fc1cccc([C@@H]2CC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662257663 419374069 /nfs/dbraw/zinc/37/40/69/419374069.db2.gz RCZGCHKOOHXCSI-IBGZPJMESA-N 2 1 296.389 3.418 20 0 CGADMP c1cc2c(s1)CCC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662258797 419375692 /nfs/dbraw/zinc/37/56/92/419375692.db2.gz XSQWKQRROSNAAU-UHFFFAOYSA-N 2 1 298.455 3.342 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662264762 419377379 /nfs/dbraw/zinc/37/73/79/419377379.db2.gz LBFPLNANMJIGQD-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCCSCC1)[NH+](C)C ZINC000657835559 419378340 /nfs/dbraw/zinc/37/83/40/419378340.db2.gz YABRARYEDZVKEO-LSDHHAIUSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(C(F)F)nc1)C[NH+]1CCCC1 ZINC000657842549 419382945 /nfs/dbraw/zinc/38/29/45/419382945.db2.gz CNOUMRTUHCKSGX-OLZOCXBDSA-N 2 1 297.393 3.402 20 0 CGADMP FC1(F)CCCC[C@@H]1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662277517 419383163 /nfs/dbraw/zinc/38/31/63/419383163.db2.gz VOBFUMFVHAQLQM-KFWWJZLASA-N 2 1 286.410 3.276 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000662283152 419383770 /nfs/dbraw/zinc/38/37/70/419383770.db2.gz LVQNYKQXWCJEBS-OLZOCXBDSA-N 2 1 274.399 3.132 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+]1CCc2ccccc2[C@@H]1CN ZINC000662285228 419384240 /nfs/dbraw/zinc/38/42/40/419384240.db2.gz HWRAPEYAIBWHHY-DOMZBBRYSA-N 2 1 282.378 3.226 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292753 419384417 /nfs/dbraw/zinc/38/44/17/419384417.db2.gz KZDRMSJODUCRQJ-CYBMUJFWSA-N 2 1 254.805 3.460 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292753 419384418 /nfs/dbraw/zinc/38/44/18/419384418.db2.gz KZDRMSJODUCRQJ-CYBMUJFWSA-N 2 1 254.805 3.460 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000662283153 419385220 /nfs/dbraw/zinc/38/52/20/419385220.db2.gz LVQNYKQXWCJEBS-QWHCGFSZSA-N 2 1 274.399 3.132 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1Cl ZINC000662286606 419385377 /nfs/dbraw/zinc/38/53/77/419385377.db2.gz RQEKXEUWXUATHC-TZMCWYRMSA-N 2 1 296.842 3.298 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1Cl ZINC000662286606 419385382 /nfs/dbraw/zinc/38/53/82/419385382.db2.gz RQEKXEUWXUATHC-TZMCWYRMSA-N 2 1 296.842 3.298 20 0 CGADMP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347050 419568320 /nfs/dbraw/zinc/56/83/20/419568320.db2.gz GTPUBIZIKUFFDR-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2C)CC1 ZINC000658088574 419557035 /nfs/dbraw/zinc/55/70/35/419557035.db2.gz ARXQSIQWXNXKBJ-CQSZACIVSA-N 2 1 278.415 3.139 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000663477574 419632476 /nfs/dbraw/zinc/63/24/76/419632476.db2.gz GTVOKLNQCQUHIG-RWMBFGLXSA-N 2 1 292.389 3.427 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464589 419614684 /nfs/dbraw/zinc/61/46/84/419614684.db2.gz DTUMHDLRUBVINW-WMLDXEAASA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCC2)[C@H]2CCC[C@@H]21 ZINC000658224337 419682050 /nfs/dbraw/zinc/68/20/50/419682050.db2.gz SOWKFUPNXCZZQD-PMPSAXMXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC000658227738 419686111 /nfs/dbraw/zinc/68/61/11/419686111.db2.gz CCFJUFBKCWSLNQ-HOSILWTGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC000658227738 419686119 /nfs/dbraw/zinc/68/61/19/419686119.db2.gz CCFJUFBKCWSLNQ-HOSILWTGSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228742 419686431 /nfs/dbraw/zinc/68/64/31/419686431.db2.gz LTLSJROIIULTNT-GDBMZVCRSA-N 2 1 276.424 3.207 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228742 419686435 /nfs/dbraw/zinc/68/64/35/419686435.db2.gz LTLSJROIIULTNT-GDBMZVCRSA-N 2 1 276.424 3.207 20 0 CGADMP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227459 419687117 /nfs/dbraw/zinc/68/71/17/419687117.db2.gz BMDQFKRMWHBWPD-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227459 419687122 /nfs/dbraw/zinc/68/71/22/419687122.db2.gz BMDQFKRMWHBWPD-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cnn1C(C)C ZINC000191189235 287589164 /nfs/dbraw/zinc/58/91/64/287589164.db2.gz DZZKLHDGWKQBGE-LSDHHAIUSA-N 2 1 292.471 3.155 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000223090673 260269622 /nfs/dbraw/zinc/26/96/22/260269622.db2.gz RYJASKXOXVYWSC-HOTGVXAUSA-N 2 1 292.467 3.336 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000223090673 260269623 /nfs/dbraw/zinc/26/96/23/260269623.db2.gz RYJASKXOXVYWSC-HOTGVXAUSA-N 2 1 292.467 3.336 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394527034 261383094 /nfs/dbraw/zinc/38/30/94/261383094.db2.gz GCORARDQFLQHBF-GOEBONIOSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000423402672 274216797 /nfs/dbraw/zinc/21/67/97/274216797.db2.gz RPEWZBIPMNIIET-HZMBPMFUSA-N 2 1 297.240 3.153 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221835908 262304297 /nfs/dbraw/zinc/30/42/97/262304297.db2.gz JTWLKOHHJOLUCX-UAGQMJEPSA-N 2 1 260.425 3.456 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221835908 262304299 /nfs/dbraw/zinc/30/42/99/262304299.db2.gz JTWLKOHHJOLUCX-UAGQMJEPSA-N 2 1 260.425 3.456 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)ccc2c1 ZINC000319643485 262345677 /nfs/dbraw/zinc/34/56/77/262345677.db2.gz OVPQRNKMZPDPBF-AUUYWEPGSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000062077722 262409558 /nfs/dbraw/zinc/40/95/58/262409558.db2.gz YTCAMJVBQNTABQ-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996747 270028566 /nfs/dbraw/zinc/02/85/66/270028566.db2.gz SYKFBRHREMIHMV-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996747 270028567 /nfs/dbraw/zinc/02/85/67/270028567.db2.gz SYKFBRHREMIHMV-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000045690606 270038888 /nfs/dbraw/zinc/03/88/88/270038888.db2.gz RVWHNZBBURIAPZ-CVEARBPZSA-N 2 1 262.441 3.328 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCOC)CCCCC2)[C@H](C)C1 ZINC000186881403 270067388 /nfs/dbraw/zinc/06/73/88/270067388.db2.gz NXEWZTRDRHRNJE-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181212 270067941 /nfs/dbraw/zinc/06/79/41/270067941.db2.gz YJIHWDSOQFSJPK-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181212 270067942 /nfs/dbraw/zinc/06/79/42/270067942.db2.gz YJIHWDSOQFSJPK-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181212 270067943 /nfs/dbraw/zinc/06/79/43/270067943.db2.gz YJIHWDSOQFSJPK-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC000227419109 270086921 /nfs/dbraw/zinc/08/69/21/270086921.db2.gz PWWKXQLCRGWCFG-DQYPLSBCSA-N 2 1 276.399 3.349 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC[N@H+]1C ZINC000227419109 270086922 /nfs/dbraw/zinc/08/69/22/270086922.db2.gz PWWKXQLCRGWCFG-DQYPLSBCSA-N 2 1 276.399 3.349 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000227375138 270087086 /nfs/dbraw/zinc/08/70/86/270087086.db2.gz ZPIUUHBMDRVFMH-DOTOQJQBSA-N 2 1 290.451 3.438 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000526106453 270123037 /nfs/dbraw/zinc/12/30/37/270123037.db2.gz WGVLJOJBQJGDKD-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000527115720 270125705 /nfs/dbraw/zinc/12/57/05/270125705.db2.gz KYDFQNOSMXYETA-NXOAAHMSSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000527115720 270125706 /nfs/dbraw/zinc/12/57/06/270125706.db2.gz KYDFQNOSMXYETA-NXOAAHMSSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000527115720 270125707 /nfs/dbraw/zinc/12/57/07/270125707.db2.gz KYDFQNOSMXYETA-NXOAAHMSSA-N 2 1 266.473 3.475 20 0 CGADMP Clc1cccc(CNC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810566 270137678 /nfs/dbraw/zinc/13/76/78/270137678.db2.gz RQBNEQBHKFVMRL-MRXNPFEDSA-N 2 1 278.827 3.447 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000527896041 270142809 /nfs/dbraw/zinc/14/28/09/270142809.db2.gz BOKMLMCRWHTTII-HOTGVXAUSA-N 2 1 283.419 3.268 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000527933932 270145473 /nfs/dbraw/zinc/14/54/73/270145473.db2.gz UPUBIVLEUBGXFD-DNVCBOLYSA-N 2 1 286.463 3.111 20 0 CGADMP c1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CCC2)nc1 ZINC000527968686 270147328 /nfs/dbraw/zinc/14/73/28/270147328.db2.gz OSNNGJKLUNCXKA-IBGZPJMESA-N 2 1 299.462 3.387 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000527967164 270147476 /nfs/dbraw/zinc/14/74/76/270147476.db2.gz MMEMRLHGQVMPFV-GOSISDBHSA-N 2 1 287.451 3.387 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000527983133 270148176 /nfs/dbraw/zinc/14/81/76/270148176.db2.gz SSZIMPYOEXQQJK-FRRDWIJNSA-N 2 1 276.415 3.376 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC=CCC2)[C@H](C)C1 ZINC000527978615 270148206 /nfs/dbraw/zinc/14/82/06/270148206.db2.gz DGHTZLONZCWDDS-PMPSAXMXSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015452 270151380 /nfs/dbraw/zinc/15/13/80/270151380.db2.gz XNLPBLBZKFXJTH-BBRMVZONSA-N 2 1 274.408 3.060 20 0 CGADMP CC1(C)CC(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000528385489 270163164 /nfs/dbraw/zinc/16/31/64/270163164.db2.gz ADHNVMCRWSGCME-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530363 270182448 /nfs/dbraw/zinc/18/24/48/270182448.db2.gz DYRJSDYJDNTIHW-MJBXVCDLSA-N 2 1 288.426 3.378 20 0 CGADMP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C[C@H]1c1ccccc1 ZINC000530215752 270195792 /nfs/dbraw/zinc/19/57/92/270195792.db2.gz INEWZEUGJDILIK-YESZJQIVSA-N 2 1 284.447 3.443 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCCO2 ZINC000530355037 270199311 /nfs/dbraw/zinc/19/93/11/270199311.db2.gz XMLABHHEYQNPGM-KRWDZBQOSA-N 2 1 299.418 3.083 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCCC2)C[C@H]1C ZINC000530663073 270201761 /nfs/dbraw/zinc/20/17/61/270201761.db2.gz GJFSFMYOYGCHJW-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CCCC2)C[C@H]1C ZINC000530663073 270201762 /nfs/dbraw/zinc/20/17/62/270201762.db2.gz GJFSFMYOYGCHJW-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CCCC2)C[C@H]1C ZINC000530663073 270201763 /nfs/dbraw/zinc/20/17/63/270201763.db2.gz GJFSFMYOYGCHJW-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000531753202 270209118 /nfs/dbraw/zinc/20/91/18/270209118.db2.gz ZEJZGYJNEDNYRO-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H](C)C1 ZINC000531955032 270211155 /nfs/dbraw/zinc/21/11/55/270211155.db2.gz RBKSXIONOCVIHP-UGQVUOCMSA-N 2 1 276.424 3.223 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072641 270221469 /nfs/dbraw/zinc/22/14/69/270221469.db2.gz RVKUXSLLSBVMPS-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072641 270221470 /nfs/dbraw/zinc/22/14/70/270221470.db2.gz RVKUXSLLSBVMPS-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072641 270221471 /nfs/dbraw/zinc/22/14/71/270221471.db2.gz RVKUXSLLSBVMPS-FUHWJXTLSA-N 2 1 274.452 3.466 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422876431 273563126 /nfs/dbraw/zinc/56/31/26/273563126.db2.gz FSLJQGLMPLGGMK-CYBMUJFWSA-N 2 1 269.392 3.468 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000087816187 273869829 /nfs/dbraw/zinc/86/98/29/273869829.db2.gz VHEPJXVGTNJAGR-QGZVFWFLSA-N 2 1 283.419 3.229 20 0 CGADMP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCC1 ZINC000362367058 274251301 /nfs/dbraw/zinc/25/13/01/274251301.db2.gz YYBFAIWTUYEHMC-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)CC[N@@H+]1C ZINC000348034182 274393914 /nfs/dbraw/zinc/39/39/14/274393914.db2.gz BMAREQLAANQDQK-UKPHBRMFSA-N 2 1 290.476 3.089 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)CC[N@H+]1C ZINC000348034182 274393915 /nfs/dbraw/zinc/39/39/15/274393915.db2.gz BMAREQLAANQDQK-UKPHBRMFSA-N 2 1 290.476 3.089 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC000414953711 274624444 /nfs/dbraw/zinc/62/44/44/274624444.db2.gz RUIGQLYCOFLMPC-JOYOIKCWSA-N 2 1 290.304 3.075 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000268794186 274861735 /nfs/dbraw/zinc/86/17/35/274861735.db2.gz HJGWYFQOMGACEE-CXAGYDPISA-N 2 1 269.392 3.420 20 0 CGADMP [NH3+]CCC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423195986 274945469 /nfs/dbraw/zinc/94/54/69/274945469.db2.gz UEPGCSBUTLMJFI-QMMMGPOBSA-N 2 1 279.236 3.371 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCCc3sccc31)C2 ZINC000279014139 275073013 /nfs/dbraw/zinc/07/30/13/275073013.db2.gz UADZIUGIOBKOMX-TZMCWYRMSA-N 2 1 287.432 3.174 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000251189516 287832117 /nfs/dbraw/zinc/83/21/17/287832117.db2.gz ZNXGCJXTKVHZPM-SOUVJXGZSA-N 2 1 276.424 3.185 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423269651 275595928 /nfs/dbraw/zinc/59/59/28/275595928.db2.gz WBBRWHQHQBNJMF-HYVNUMGLSA-N 2 1 275.440 3.071 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000353970314 276009274 /nfs/dbraw/zinc/00/92/74/276009274.db2.gz CRVOWSZKTVLOQV-BZUAXINKSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000353970314 276009275 /nfs/dbraw/zinc/00/92/75/276009275.db2.gz CRVOWSZKTVLOQV-BZUAXINKSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423307512 276017537 /nfs/dbraw/zinc/01/75/37/276017537.db2.gz GUUVTNHAPQQRKE-JKSUJKDBSA-N 2 1 260.425 3.158 20 0 CGADMP CCC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000473018765 276028492 /nfs/dbraw/zinc/02/84/92/276028492.db2.gz DEHDPEOINWFNEP-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000473018765 276028494 /nfs/dbraw/zinc/02/84/94/276028494.db2.gz DEHDPEOINWFNEP-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000473018765 276028496 /nfs/dbraw/zinc/02/84/96/276028496.db2.gz DEHDPEOINWFNEP-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP CC1(C)CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000163603323 276101861 /nfs/dbraw/zinc/10/18/61/276101861.db2.gz BJQZBJSCHJUVRH-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCC1 ZINC000342836379 276143332 /nfs/dbraw/zinc/14/33/32/276143332.db2.gz HTNGYEAJCBALLP-UHFFFAOYSA-N 2 1 284.407 3.340 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000178412692 276152175 /nfs/dbraw/zinc/15/21/75/276152175.db2.gz ISOAASGAOQKTJC-HNNXBMFYSA-N 2 1 276.424 3.369 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000450562075 276225510 /nfs/dbraw/zinc/22/55/10/276225510.db2.gz HKVPDNRMKICPOM-IHRRRGAJSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000450562075 276225511 /nfs/dbraw/zinc/22/55/11/276225511.db2.gz HKVPDNRMKICPOM-IHRRRGAJSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000450562075 276225512 /nfs/dbraw/zinc/22/55/12/276225512.db2.gz HKVPDNRMKICPOM-IHRRRGAJSA-N 2 1 274.399 3.084 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)[C@H](C)C1 ZINC000336092328 276395825 /nfs/dbraw/zinc/39/58/25/276395825.db2.gz JELNMJRUHZVQEB-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP C(C[NH+](C1CCC1)C1CCC1)C[NH+]1CCCCC1 ZINC000429122803 276803591 /nfs/dbraw/zinc/80/35/91/276803591.db2.gz NCJWWLGJLYFAIP-UHFFFAOYSA-N 2 1 250.430 3.269 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000503052110 277062303 /nfs/dbraw/zinc/06/23/03/277062303.db2.gz JRZWHNJEGAAABS-SJLPKXTDSA-N 2 1 272.436 3.312 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000414178072 277073601 /nfs/dbraw/zinc/07/36/01/277073601.db2.gz KCZILQXNZWGFBC-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2C(C)(C)C1 ZINC000348301828 277078871 /nfs/dbraw/zinc/07/88/71/277078871.db2.gz JKTZWUDDPXWKLT-INIZCTEOSA-N 2 1 272.436 3.264 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348301828 277078872 /nfs/dbraw/zinc/07/88/72/277078872.db2.gz JKTZWUDDPXWKLT-INIZCTEOSA-N 2 1 272.436 3.264 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348301828 277078873 /nfs/dbraw/zinc/07/88/73/277078873.db2.gz JKTZWUDDPXWKLT-INIZCTEOSA-N 2 1 272.436 3.264 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCC2)[C@H]2CCC[C@@H]21 ZINC000513682991 277170477 /nfs/dbraw/zinc/17/04/77/277170477.db2.gz DTHSHQOGQNGBNW-PMPSAXMXSA-N 2 1 250.430 3.029 20 0 CGADMP COC(C)(C)[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340473703 277177868 /nfs/dbraw/zinc/17/78/68/277177868.db2.gz KWOGBEXMZRRGGV-OWCLPIDISA-N 2 1 284.488 3.148 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415130990 277267456 /nfs/dbraw/zinc/26/74/56/277267456.db2.gz YGJRYTPREZFDOC-SJORKVTESA-N 2 1 260.425 3.038 20 0 CGADMP CC(C)(C[NH2+][C@H]1CCCc2occc21)C[NH+]1CCCC1 ZINC000447591126 277303606 /nfs/dbraw/zinc/30/36/06/277303606.db2.gz BVSKJZVBYOFJLJ-HNNXBMFYSA-N 2 1 276.424 3.369 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453395337 277333772 /nfs/dbraw/zinc/33/37/72/277333772.db2.gz HTWAVCABKKLNMV-QAPCUYQASA-N 2 1 290.451 3.227 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000429057935 277350920 /nfs/dbraw/zinc/35/09/20/277350920.db2.gz BYNQTXPPRJBRQU-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422777707 277761409 /nfs/dbraw/zinc/76/14/09/277761409.db2.gz CTJLTHPGXJNLFO-DAXOMENPSA-N 2 1 264.388 3.253 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000397433569 288023775 /nfs/dbraw/zinc/02/37/75/288023775.db2.gz FYWDNIYKKNJJMZ-IJEWVQPXSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000397433569 288023776 /nfs/dbraw/zinc/02/37/76/288023776.db2.gz FYWDNIYKKNJJMZ-IJEWVQPXSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@]1(C)CCCO1 ZINC000340469790 278257457 /nfs/dbraw/zinc/25/74/57/278257457.db2.gz LSIRANZQIHCTMS-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)Cc1ccccc1 ZINC000414851800 278284699 /nfs/dbraw/zinc/28/46/99/278284699.db2.gz PRPQCNGMIHWRJX-QAPCUYQASA-N 2 1 274.452 3.362 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC1(C)C ZINC000397789783 288030627 /nfs/dbraw/zinc/03/06/27/288030627.db2.gz ZDFRYRYNZRBERP-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449081819 278342135 /nfs/dbraw/zinc/34/21/35/278342135.db2.gz IEZSYYLRTBODLI-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000423534728 278379686 /nfs/dbraw/zinc/37/96/86/278379686.db2.gz WPXGRPORCREGAM-RDTXWAMCSA-N 2 1 298.434 3.040 20 0 CGADMP CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CCC1 ZINC000453106358 288075421 /nfs/dbraw/zinc/07/54/21/288075421.db2.gz IXLVGFLFIAUXNJ-CJNGLKHVSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H](C)C1 ZINC000488733391 279008122 /nfs/dbraw/zinc/00/81/22/279008122.db2.gz PBQAQHUQOPCOOP-SPYBWZPUSA-N 2 1 295.430 3.401 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358142976 279022718 /nfs/dbraw/zinc/02/27/18/279022718.db2.gz SMVYHLSRVCVCFQ-NOVWEMISSA-N 2 1 270.420 3.136 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175768296 279040143 /nfs/dbraw/zinc/04/01/43/279040143.db2.gz QDVRGLWDNPPNKL-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175768296 279040145 /nfs/dbraw/zinc/04/01/45/279040145.db2.gz QDVRGLWDNPPNKL-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175768296 279040147 /nfs/dbraw/zinc/04/01/47/279040147.db2.gz QDVRGLWDNPPNKL-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175768296 279040150 /nfs/dbraw/zinc/04/01/50/279040150.db2.gz QDVRGLWDNPPNKL-LSDHHAIUSA-N 2 1 276.424 3.030 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCC2(CCCCC2)O1 ZINC000459510172 288094802 /nfs/dbraw/zinc/09/48/02/288094802.db2.gz CIKQDIBYGPUZQA-KRWDZBQOSA-N 2 1 292.467 3.085 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000250963064 279079455 /nfs/dbraw/zinc/07/94/55/279079455.db2.gz TYYKGRVVWLLSRN-UBHSHLNASA-N 2 1 279.453 3.037 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000250963064 279079457 /nfs/dbraw/zinc/07/94/57/279079457.db2.gz TYYKGRVVWLLSRN-UBHSHLNASA-N 2 1 279.453 3.037 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000157252806 279101649 /nfs/dbraw/zinc/10/16/49/279101649.db2.gz WDZHDMXBFLZQAO-JCGIZDLHSA-N 2 1 289.467 3.231 20 0 CGADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261681831 279157694 /nfs/dbraw/zinc/15/76/94/279157694.db2.gz AHSJNKCIGYSYDF-MOPGFXCFSA-N 2 1 286.463 3.331 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000269008371 279257870 /nfs/dbraw/zinc/25/78/70/279257870.db2.gz MXVKRYOIXUYQEZ-GDBMZVCRSA-N 2 1 288.435 3.363 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000526119450 288150266 /nfs/dbraw/zinc/15/02/66/288150266.db2.gz HQPLXKVKGKBBQT-CQSZACIVSA-N 2 1 266.404 3.251 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000526119450 288150268 /nfs/dbraw/zinc/15/02/68/288150268.db2.gz HQPLXKVKGKBBQT-CQSZACIVSA-N 2 1 266.404 3.251 20 0 CGADMP FC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000527229642 288158098 /nfs/dbraw/zinc/15/80/98/288158098.db2.gz XTVWGAWCMASHTH-ZDUSSCGKSA-N 2 1 282.428 3.052 20 0 CGADMP FC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000527229642 288158100 /nfs/dbraw/zinc/15/81/00/288158100.db2.gz XTVWGAWCMASHTH-ZDUSSCGKSA-N 2 1 282.428 3.052 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2C2CC2)C[C@H](C)O1 ZINC000359317429 288160611 /nfs/dbraw/zinc/16/06/11/288160611.db2.gz WBHQPAOUYHJLRJ-CIRFHOKZSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)[C@@H](C)C1 ZINC000527665002 288185585 /nfs/dbraw/zinc/18/55/85/288185585.db2.gz FCEKWUACJNIMTA-QWHCGFSZSA-N 2 1 276.415 3.378 20 0 CGADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119672513 280033786 /nfs/dbraw/zinc/03/37/86/280033786.db2.gz QVDJHMITMXMPAR-SCLBCKFNSA-N 2 1 270.420 3.136 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1(CCOC)CCCCC1 ZINC000189124425 280101315 /nfs/dbraw/zinc/10/13/15/280101315.db2.gz LGNIDYGTTFANIJ-MRXNPFEDSA-N 2 1 284.488 3.293 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1(CCOC)CCCCC1 ZINC000189124425 280101316 /nfs/dbraw/zinc/10/13/16/280101316.db2.gz LGNIDYGTTFANIJ-MRXNPFEDSA-N 2 1 284.488 3.293 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000414777743 280173824 /nfs/dbraw/zinc/17/38/24/280173824.db2.gz YHUORCRRSNYSHL-WNHJNPCNSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000414775952 280174120 /nfs/dbraw/zinc/17/41/20/280174120.db2.gz WHWWLILXAHWVOE-NBMJBFSESA-N 2 1 284.447 3.038 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423399203 280997082 /nfs/dbraw/zinc/99/70/82/280997082.db2.gz WCYTTZHELFKESG-SOUVJXGZSA-N 2 1 270.436 3.273 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278896555 281092525 /nfs/dbraw/zinc/09/25/25/281092525.db2.gz FHOUIQVVYGVKAR-YJBOKZPZSA-N 2 1 295.430 3.421 20 0 CGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000548488574 289009063 /nfs/dbraw/zinc/00/90/63/289009063.db2.gz PFBNASNQCXSQML-BZUAXINKSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884485 289027418 /nfs/dbraw/zinc/02/74/18/289027418.db2.gz LOHJHJLCJZFMRE-QKPAOTATSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884485 289027420 /nfs/dbraw/zinc/02/74/20/289027420.db2.gz LOHJHJLCJZFMRE-QKPAOTATSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000551790347 289133304 /nfs/dbraw/zinc/13/33/04/289133304.db2.gz ZZZKIYDWTXCCMU-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000552063207 289157580 /nfs/dbraw/zinc/15/75/80/289157580.db2.gz SIAJDVSUYZDDJR-GBESFXJTSA-N 2 1 298.474 3.472 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000552276023 289177508 /nfs/dbraw/zinc/17/75/08/289177508.db2.gz IEVNPIVZBVVFAZ-UYTYNIKBSA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000552282096 289178546 /nfs/dbraw/zinc/17/85/46/289178546.db2.gz VVBLDPUDFLZGRM-KFWWJZLASA-N 2 1 252.446 3.131 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CCCC1 ZINC000554349875 289273583 /nfs/dbraw/zinc/27/35/83/289273583.db2.gz RKYPKNBEWAFVPU-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000554880198 289316629 /nfs/dbraw/zinc/31/66/29/289316629.db2.gz CGMGERWNBBMPFS-OAHLLOKOSA-N 2 1 292.492 3.474 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000555234307 289334937 /nfs/dbraw/zinc/33/49/37/289334937.db2.gz MWGHHCOQVMGRKJ-OBHHBEAMSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423316210 289551927 /nfs/dbraw/zinc/55/19/27/289551927.db2.gz ASXBIYCXAIOSIV-LERXQTSPSA-N 2 1 286.341 3.278 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000353610883 290222724 /nfs/dbraw/zinc/22/27/24/290222724.db2.gz BEUULRFHVBKCOV-APIJFGDWSA-N 2 1 250.430 3.028 20 0 CGADMP COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512331881 293092855 /nfs/dbraw/zinc/09/28/55/293092855.db2.gz LVUYNFDRFPOIPO-ULQDDVLXSA-N 2 1 296.499 3.290 20 0 CGADMP COc1ccc([C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000422779728 295217230 /nfs/dbraw/zinc/21/72/30/295217230.db2.gz GKSXGSIFPWMUOJ-XYPHTWIQSA-N 2 1 276.424 3.122 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261985321 295258531 /nfs/dbraw/zinc/25/85/31/295258531.db2.gz JRMXENBKVYKHII-ZWKOTPCHSA-N 2 1 288.435 3.004 20 0 CGADMP COc1ccccc1C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414669467 295361634 /nfs/dbraw/zinc/36/16/34/295361634.db2.gz BKQUBVFWTPSKPB-LSDHHAIUSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]1 ZINC000423374330 297287518 /nfs/dbraw/zinc/28/75/18/297287518.db2.gz JTZMJYLLXZXATJ-ZLDLUXBVSA-N 2 1 294.826 3.284 20 0 CGADMP C[C@]1(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423345353 300806418 /nfs/dbraw/zinc/80/64/18/300806418.db2.gz YVQNVDKIGRMNTN-RDJZCZTQSA-N 2 1 292.398 3.019 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830607 302102000 /nfs/dbraw/zinc/10/20/00/302102000.db2.gz BCCPFXFGLOKCIQ-YJBOKZPZSA-N 2 1 274.452 3.423 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000125208539 302247047 /nfs/dbraw/zinc/24/70/47/302247047.db2.gz UGSSXOFGIYJQHX-JKSUJKDBSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000125208539 302247051 /nfs/dbraw/zinc/24/70/51/302247051.db2.gz UGSSXOFGIYJQHX-JKSUJKDBSA-N 2 1 275.440 3.161 20 0 CGADMP FC(F)(F)[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CC12CCC2 ZINC000420373194 303117889 /nfs/dbraw/zinc/11/78/89/303117889.db2.gz MENFZGGMPWTSPZ-OLZOCXBDSA-N 2 1 290.373 3.041 20 0 CGADMP CC(C)(C)OCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000157252176 321792344 /nfs/dbraw/zinc/79/23/44/321792344.db2.gz NMIYRKBYAKGNTI-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000313973668 321959530 /nfs/dbraw/zinc/95/95/30/321959530.db2.gz KYGABGYMYREGRY-GFCCVEGCSA-N 2 1 277.799 3.357 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314922754 321959786 /nfs/dbraw/zinc/95/97/86/321959786.db2.gz PQCAFFBYPIYOLG-HOTGVXAUSA-N 2 1 263.429 3.157 20 0 CGADMP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000563324753 321990261 /nfs/dbraw/zinc/99/02/61/321990261.db2.gz YXRDEXXVNXRPTD-WMZOPIPTSA-N 2 1 272.436 3.429 20 0 CGADMP CC(C)C1CCC(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000564299662 322026022 /nfs/dbraw/zinc/02/60/22/322026022.db2.gz RSXVCMFVVGWNGJ-OPQOLIRYSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000564299662 322026025 /nfs/dbraw/zinc/02/60/25/322026025.db2.gz RSXVCMFVVGWNGJ-OPQOLIRYSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000564299662 322026026 /nfs/dbraw/zinc/02/60/26/322026026.db2.gz RSXVCMFVVGWNGJ-OPQOLIRYSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000564299662 322026029 /nfs/dbraw/zinc/02/60/29/322026029.db2.gz RSXVCMFVVGWNGJ-OPQOLIRYSA-N 2 1 278.484 3.475 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000564328506 322027939 /nfs/dbraw/zinc/02/79/39/322027939.db2.gz FPLHRPMJUMTJKK-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000564328506 322027941 /nfs/dbraw/zinc/02/79/41/322027941.db2.gz FPLHRPMJUMTJKK-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP CC(C)c1cnc(C[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000564970458 322051800 /nfs/dbraw/zinc/05/18/00/322051800.db2.gz KZHFJGBBHFJYLE-UHFFFAOYSA-N 2 1 275.421 3.015 20 0 CGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000565768865 322090441 /nfs/dbraw/zinc/09/04/41/322090441.db2.gz LKEPJATXEOWOFU-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000565768865 322090443 /nfs/dbraw/zinc/09/04/43/322090443.db2.gz LKEPJATXEOWOFU-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000566229877 322110350 /nfs/dbraw/zinc/11/03/50/322110350.db2.gz QZCLAGILAWSCIL-IPMKNSEASA-N 2 1 286.463 3.358 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C[C@H](C)O1 ZINC000566355612 322117251 /nfs/dbraw/zinc/11/72/51/322117251.db2.gz HPDCRJDFKNASRR-VVLHAWIVSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000566706551 322134816 /nfs/dbraw/zinc/13/48/16/322134816.db2.gz YLPLLQYVXCJYDK-NUJGCVRESA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000566961394 322144775 /nfs/dbraw/zinc/14/47/75/322144775.db2.gz HUIZHRPRTJADGM-JSGCOSHPSA-N 2 1 266.454 3.047 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000567528598 322167001 /nfs/dbraw/zinc/16/70/01/322167001.db2.gz GSPKDTNKZDKGRN-XIRDDKMYSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000567528598 322167003 /nfs/dbraw/zinc/16/70/03/322167003.db2.gz GSPKDTNKZDKGRN-XIRDDKMYSA-N 2 1 264.457 3.252 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000567528598 322167004 /nfs/dbraw/zinc/16/70/04/322167004.db2.gz GSPKDTNKZDKGRN-XIRDDKMYSA-N 2 1 264.457 3.252 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000568051405 322190001 /nfs/dbraw/zinc/19/00/01/322190001.db2.gz JARLJRKIJXXWAY-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000569235722 322240383 /nfs/dbraw/zinc/24/03/83/322240383.db2.gz XIWTYNRMJONIDM-KRWDZBQOSA-N 2 1 271.408 3.340 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000569352125 322244523 /nfs/dbraw/zinc/24/45/23/322244523.db2.gz VGTPZWDOIWULPR-LBPRGKRZSA-N 2 1 289.345 3.017 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000569352125 322244527 /nfs/dbraw/zinc/24/45/27/322244527.db2.gz VGTPZWDOIWULPR-LBPRGKRZSA-N 2 1 289.345 3.017 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2Cc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000569442933 322247370 /nfs/dbraw/zinc/24/73/70/322247370.db2.gz CHGDIUGOGHQMNR-AABGKKOBSA-N 2 1 298.474 3.254 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@@H](C)C[NH+](C)C)c2c1 ZINC000570797339 322282470 /nfs/dbraw/zinc/28/24/70/322282470.db2.gz ZILWZMVCACJASN-CYBMUJFWSA-N 2 1 257.381 3.153 20 0 CGADMP CC1=CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000571902885 322311819 /nfs/dbraw/zinc/31/18/19/322311819.db2.gz SFZJMARKXAIJQM-JKSUJKDBSA-N 2 1 250.430 3.195 20 0 CGADMP CCCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CCC1 ZINC000572409371 322336194 /nfs/dbraw/zinc/33/61/94/322336194.db2.gz KRSMDEPPGNXKRN-KRWDZBQOSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1Cc2ccccc2C1 ZINC000573028890 322367129 /nfs/dbraw/zinc/36/71/29/322367129.db2.gz NBHDQPAYBWXQMY-LJQANCHMSA-N 2 1 286.463 3.208 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1Cc2ccccc2C1 ZINC000573028890 322367131 /nfs/dbraw/zinc/36/71/31/322367131.db2.gz NBHDQPAYBWXQMY-LJQANCHMSA-N 2 1 286.463 3.208 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1Cc2ccccc2C1 ZINC000573028890 322367134 /nfs/dbraw/zinc/36/71/34/322367134.db2.gz NBHDQPAYBWXQMY-LJQANCHMSA-N 2 1 286.463 3.208 20 0 CGADMP CCCC1CCC(C[NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000573137083 322372076 /nfs/dbraw/zinc/37/20/76/322372076.db2.gz DGMVJCWEWDNNNO-UHFFFAOYSA-N 2 1 296.499 3.029 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000573366676 322384498 /nfs/dbraw/zinc/38/44/98/322384498.db2.gz UHPICNNMBKUMPV-WBVHZDCISA-N 2 1 290.451 3.177 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000573366676 322384501 /nfs/dbraw/zinc/38/45/01/322384501.db2.gz UHPICNNMBKUMPV-WBVHZDCISA-N 2 1 290.451 3.177 20 0 CGADMP CCC[C@@H](C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000582573841 329109935 /nfs/dbraw/zinc/10/99/35/329109935.db2.gz VNHSHFCTQMORJI-KRWDZBQOSA-N 2 1 262.441 3.454 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000177370640 533710772 /nfs/dbraw/zinc/71/07/72/533710772.db2.gz SVBAHOVFKMVOEG-CQSZACIVSA-N 2 1 287.407 3.331 20 0 CGADMP CC[N@@H+](CC(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486134 335156741 /nfs/dbraw/zinc/15/67/41/335156741.db2.gz RWEUBQTUZRYYCM-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC[NH+](CC(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486134 335156742 /nfs/dbraw/zinc/15/67/42/335156742.db2.gz RWEUBQTUZRYYCM-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC[NH+](CC(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486134 335156744 /nfs/dbraw/zinc/15/67/44/335156744.db2.gz RWEUBQTUZRYYCM-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CCc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000576880942 335259639 /nfs/dbraw/zinc/25/96/39/335259639.db2.gz XZKCSFLNTYTDBN-CQSZACIVSA-N 2 1 271.408 3.180 20 0 CGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(C)cc1 ZINC000577594581 335375416 /nfs/dbraw/zinc/37/54/16/335375416.db2.gz DQAJUUUDWXUWFE-MRXNPFEDSA-N 2 1 260.425 3.207 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)oc2cc1C ZINC000581198623 336023606 /nfs/dbraw/zinc/02/36/06/336023606.db2.gz JOXOWVUEVMGIJU-UKRRQHHQSA-N 2 1 272.392 3.361 20 0 CGADMP c1ccc(CCC[C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000581671843 336126121 /nfs/dbraw/zinc/12/61/21/336126121.db2.gz LCNLAHKXCAOYQT-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP COc1ccc2cc(C[N@H+](C)C3(C[NH3+])CCC3)ccc2c1 ZINC000385312593 336143992 /nfs/dbraw/zinc/14/39/92/336143992.db2.gz GVFCPAQIKAYXDR-UHFFFAOYSA-N 2 1 284.403 3.162 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C3(C[NH3+])CCC3)ccc2c1 ZINC000385312593 336143993 /nfs/dbraw/zinc/14/39/93/336143993.db2.gz GVFCPAQIKAYXDR-UHFFFAOYSA-N 2 1 284.403 3.162 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423258099 533868743 /nfs/dbraw/zinc/86/87/43/533868743.db2.gz AZMQTUDCLCQDLN-IRXDYDNUSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449251173 534162361 /nfs/dbraw/zinc/16/23/61/534162361.db2.gz NNLBXFNUAXSPBV-CQSZACIVSA-N 2 1 284.403 3.215 20 0 CGADMP C[N@@H+](CCC1CCCCC1)CC1CC[NH+](C)CC1 ZINC000483273003 536322401 /nfs/dbraw/zinc/32/24/01/536322401.db2.gz WSXUTZKAZBGIRE-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)C[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000339413424 519776559 /nfs/dbraw/zinc/77/65/59/519776559.db2.gz NBGFLQLPWQPQKN-RDJZCZTQSA-N 2 1 260.425 3.097 20 0 CGADMP c1cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2o1 ZINC000449087684 534477176 /nfs/dbraw/zinc/47/71/76/534477176.db2.gz GLKZMEHMPIKQHC-CVEARBPZSA-N 2 1 270.376 3.149 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)cs2)CCCCC1 ZINC000414839129 534548900 /nfs/dbraw/zinc/54/89/00/534548900.db2.gz IZAIAGBQLGOCPU-UHFFFAOYSA-N 2 1 258.818 3.153 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3ccccc3n2)C1 ZINC000081533403 521498874 /nfs/dbraw/zinc/49/88/74/521498874.db2.gz FQSHSLZZIZWFQP-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3ccccc3n2)C1 ZINC000081533403 521498880 /nfs/dbraw/zinc/49/88/80/521498880.db2.gz FQSHSLZZIZWFQP-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000081533403 521498884 /nfs/dbraw/zinc/49/88/84/521498884.db2.gz FQSHSLZZIZWFQP-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000081533403 521498890 /nfs/dbraw/zinc/49/88/90/521498890.db2.gz FQSHSLZZIZWFQP-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000156586920 524046757 /nfs/dbraw/zinc/04/67/57/524046757.db2.gz CQFROLIRZRFFTA-FRRDWIJNSA-N 2 1 266.454 3.444 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000156586920 524046759 /nfs/dbraw/zinc/04/67/59/524046759.db2.gz CQFROLIRZRFFTA-FRRDWIJNSA-N 2 1 266.454 3.444 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000049553537 524476783 /nfs/dbraw/zinc/47/67/83/524476783.db2.gz NUBJXPWAEGIDAD-QWRGUYRKSA-N 2 1 272.795 3.470 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)n1 ZINC000161610723 524894679 /nfs/dbraw/zinc/89/46/79/524894679.db2.gz UTRFMEQRMKVTFU-GOSISDBHSA-N 2 1 287.451 3.403 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)n1 ZINC000161610723 524894695 /nfs/dbraw/zinc/89/46/95/524894695.db2.gz UTRFMEQRMKVTFU-GOSISDBHSA-N 2 1 287.451 3.403 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608815 525457397 /nfs/dbraw/zinc/45/73/97/525457397.db2.gz FYQYMEWAJNVZIL-NVXWUHKLSA-N 2 1 298.434 3.007 20 0 CGADMP Cc1ccsc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289537502 525839727 /nfs/dbraw/zinc/83/97/27/525839727.db2.gz HWHTZLWUBUVDTA-PBWFPOADSA-N 2 1 264.438 3.114 20 0 CGADMP Cc1ccsc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289537502 525839733 /nfs/dbraw/zinc/83/97/33/525839733.db2.gz HWHTZLWUBUVDTA-PBWFPOADSA-N 2 1 264.438 3.114 20 0 CGADMP Cc1ccsc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289537502 525839743 /nfs/dbraw/zinc/83/97/43/525839743.db2.gz HWHTZLWUBUVDTA-PBWFPOADSA-N 2 1 264.438 3.114 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1C ZINC000424331985 527170851 /nfs/dbraw/zinc/17/08/51/527170851.db2.gz KFBADZUMRIDLIT-IAGOWNOFSA-N 2 1 288.435 3.174 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000161551783 527397886 /nfs/dbraw/zinc/39/78/86/527397886.db2.gz WGFJKQSKONJXAP-GOSISDBHSA-N 2 1 298.434 3.158 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000161551783 527397889 /nfs/dbraw/zinc/39/78/89/527397889.db2.gz WGFJKQSKONJXAP-GOSISDBHSA-N 2 1 298.434 3.158 20 0 CGADMP C(=C/C[N@H+]1CC[C@@H]2CCC[C@@H]21)\C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000426462777 527465583 /nfs/dbraw/zinc/46/55/83/527465583.db2.gz UJUAHRZZFIMFRQ-SEAFZMDBSA-N 2 1 274.452 3.291 20 0 CGADMP CC(C)(C)C[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359227293 527698353 /nfs/dbraw/zinc/69/83/53/527698353.db2.gz WBWKCNDEAAINEX-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cncs2)C1 ZINC000358344089 527987176 /nfs/dbraw/zinc/98/71/76/527987176.db2.gz IZFHYDOGQIEJLS-ZIAGYGMSSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cncs2)C1 ZINC000358344089 527987181 /nfs/dbraw/zinc/98/71/81/527987181.db2.gz IZFHYDOGQIEJLS-ZIAGYGMSSA-N 2 1 281.469 3.162 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422701353 528058547 /nfs/dbraw/zinc/05/85/47/528058547.db2.gz BSCMHQBEKJTVRQ-KSZLIROESA-N 3 1 295.515 3.009 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)[C@H]2CC2(C)C)C1 ZINC000414069920 528261652 /nfs/dbraw/zinc/26/16/52/528261652.db2.gz KSWXMUHVUXWXLE-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000423263803 528310058 /nfs/dbraw/zinc/31/00/58/528310058.db2.gz OXJYRVGHIGMFSW-YPMHNXCESA-N 2 1 286.366 3.312 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc(Br)c1 ZINC000423390668 528572459 /nfs/dbraw/zinc/57/24/59/528572459.db2.gz KBYNEWPFOLGKNJ-FZMZJTMJSA-N 2 1 299.256 3.473 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423263597 528720179 /nfs/dbraw/zinc/72/01/79/528720179.db2.gz BDMHMVWKZXVEAY-CZUORRHYSA-N 2 1 264.413 3.109 20 0 CGADMP CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367620943 528732312 /nfs/dbraw/zinc/73/23/12/528732312.db2.gz ZBKMPYCNSBMCRG-ZACQAIPSSA-N 2 1 288.435 3.048 20 0 CGADMP CCCc1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424290558 528744743 /nfs/dbraw/zinc/74/47/43/528744743.db2.gz MVKDMLQDABNUDD-CYBMUJFWSA-N 2 1 293.480 3.060 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000423295518 528823088 /nfs/dbraw/zinc/82/30/88/528823088.db2.gz DYSGJBUTFVPFLC-LSDHHAIUSA-N 2 1 294.439 3.262 20 0 CGADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000437106051 528853356 /nfs/dbraw/zinc/85/33/56/528853356.db2.gz FVMHHPDMZWOFCK-DOTOQJQBSA-N 2 1 289.467 3.104 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000423290391 528952626 /nfs/dbraw/zinc/95/26/26/528952626.db2.gz ZYCODJPQBLCUHY-CYBMUJFWSA-N 2 1 271.408 3.403 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437593327 528972799 /nfs/dbraw/zinc/97/27/99/528972799.db2.gz UCVLRKVJUVIKNG-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437593327 528972804 /nfs/dbraw/zinc/97/28/04/528972804.db2.gz UCVLRKVJUVIKNG-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000423360623 528987335 /nfs/dbraw/zinc/98/73/35/528987335.db2.gz FYPPLMHZGROSRY-WFASDCNBSA-N 2 1 268.832 3.234 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC000424370159 529020150 /nfs/dbraw/zinc/02/01/50/529020150.db2.gz DDISZCKURCOJST-MGPQQGTHSA-N 2 1 252.427 3.449 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423268568 529072402 /nfs/dbraw/zinc/07/24/02/529072402.db2.gz GOIPQBSVFZITSV-OLZOCXBDSA-N 2 1 284.856 3.450 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423279038 529206209 /nfs/dbraw/zinc/20/62/09/529206209.db2.gz QXJAJQPKOHOBFV-NXEZZACHSA-N 2 1 258.818 3.180 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423313713 529257839 /nfs/dbraw/zinc/25/78/39/529257839.db2.gz GBMPJMXDJQZCDI-FZMZJTMJSA-N 2 1 264.438 3.187 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000123658906 535064717 /nfs/dbraw/zinc/06/47/17/535064717.db2.gz SWQWNHMPVHLTEH-XHDPSFHLSA-N 2 1 270.367 3.331 20 0 CGADMP CCCc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000481910044 535431048 /nfs/dbraw/zinc/43/10/48/535431048.db2.gz QBLBRDXMAYLVMM-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000481910044 535431051 /nfs/dbraw/zinc/43/10/51/535431051.db2.gz QBLBRDXMAYLVMM-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000481910044 535431058 /nfs/dbraw/zinc/43/10/58/535431058.db2.gz QBLBRDXMAYLVMM-SFHVURJKSA-N 2 1 274.452 3.413 20 0 CGADMP C[N@@H+](CCCC[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC000459600186 536339165 /nfs/dbraw/zinc/33/91/65/536339165.db2.gz SOJNGOZNDZFGFG-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450980241 536409653 /nfs/dbraw/zinc/40/96/53/536409653.db2.gz DRSKQWRIBOLRMO-SJPCQFCGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450980241 536409655 /nfs/dbraw/zinc/40/96/55/536409655.db2.gz DRSKQWRIBOLRMO-SJPCQFCGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450980241 536409657 /nfs/dbraw/zinc/40/96/57/536409657.db2.gz DRSKQWRIBOLRMO-SJPCQFCGSA-N 2 1 292.854 3.440 20 0 CGADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000459744065 536890888 /nfs/dbraw/zinc/89/08/88/536890888.db2.gz XQCADOAJVBEDDQ-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccoc1 ZINC000727465930 571748683 /nfs/dbraw/zinc/74/86/83/571748683.db2.gz POIXIFMRNSTTKC-AWEZNQCLSA-N 2 1 250.386 3.024 20 0 CGADMP C[C@H]1SCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000220530353 572425732 /nfs/dbraw/zinc/42/57/32/572425732.db2.gz YORBBUNDWZEILE-PBHICJAKSA-N 2 1 290.476 3.135 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166421228 572815611 /nfs/dbraw/zinc/81/56/11/572815611.db2.gz DPDUWLTZBJKGPE-HUUCEWRRSA-N 2 1 290.426 3.320 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000841075518 621604295 /nfs/dbraw/zinc/60/42/95/621604295.db2.gz RUVDNKDNOCUOAU-CHWSQXEVSA-N 2 1 262.388 3.180 20 0 CGADMP [NH3+]C[C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000050245072 618081780 /nfs/dbraw/zinc/08/17/80/618081780.db2.gz YCYQRXLPFCPVEG-CYBMUJFWSA-N 2 1 264.372 3.037 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000050245305 618083104 /nfs/dbraw/zinc/08/31/04/618083104.db2.gz JGPICVNCGZYEMZ-LLVKDONJSA-N 2 1 290.354 3.079 20 0 CGADMP C[C@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)C[C@H]1[NH3+] ZINC000261635878 618102818 /nfs/dbraw/zinc/10/28/18/618102818.db2.gz FXPXFSDLBXZWQP-YVEFUNNKSA-N 2 1 264.372 3.035 20 0 CGADMP C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)C[C@H]1[NH3+] ZINC000261635878 618102822 /nfs/dbraw/zinc/10/28/22/618102822.db2.gz FXPXFSDLBXZWQP-YVEFUNNKSA-N 2 1 264.372 3.035 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1F ZINC000050544698 618119266 /nfs/dbraw/zinc/11/92/66/618119266.db2.gz JTOCIHRKAMTXJB-UHFFFAOYSA-N 2 1 264.388 3.100 20 0 CGADMP CC(C)C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000093678148 618404357 /nfs/dbraw/zinc/40/43/57/618404357.db2.gz FNQMXCDGLUGBTA-GOOCMWNKSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000121831513 618497644 /nfs/dbraw/zinc/49/76/44/618497644.db2.gz JTDLNZSZXVPBQT-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CC(C)C)nc2)C1 ZINC000892745127 618930084 /nfs/dbraw/zinc/93/00/84/618930084.db2.gz KRZYICXWROBEAX-KRWDZBQOSA-N 2 1 289.467 3.102 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CC(C)C)nc2)C1 ZINC000892745127 618930089 /nfs/dbraw/zinc/93/00/89/618930089.db2.gz KRZYICXWROBEAX-KRWDZBQOSA-N 2 1 289.467 3.102 20 0 CGADMP CC(C)CCCC[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000892929222 618955455 /nfs/dbraw/zinc/95/54/55/618955455.db2.gz MZIAYLFXBAWASO-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925661905 619116752 /nfs/dbraw/zinc/11/67/52/619116752.db2.gz FEXOJRCKHHBPCQ-YDHLFZDLSA-N 2 1 282.378 3.490 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000149625005 619120554 /nfs/dbraw/zinc/12/05/54/619120554.db2.gz GJWMOZHTXFQMEG-KRWDZBQOSA-N 2 1 296.414 3.046 20 0 CGADMP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000925737603 619211209 /nfs/dbraw/zinc/21/12/09/619211209.db2.gz RTZWCXDQXXNNMZ-SJORKVTESA-N 2 1 288.435 3.322 20 0 CGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000925779856 619242166 /nfs/dbraw/zinc/24/21/66/619242166.db2.gz PTCIWFVFVNFRJU-AAEUAGOBSA-N 2 1 298.402 3.058 20 0 CGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000925779862 619242388 /nfs/dbraw/zinc/24/23/88/619242388.db2.gz PTCIWFVFVNFRJU-DGCLKSJQSA-N 2 1 298.402 3.058 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C1CCC1)C1CCCC1)C2 ZINC000925814843 619261337 /nfs/dbraw/zinc/26/13/37/619261337.db2.gz REYJRTBHKAQVMK-NVXWUHKLSA-N 2 1 273.424 3.146 20 0 CGADMP CC[NH+]1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894150413 619393933 /nfs/dbraw/zinc/39/39/33/619393933.db2.gz KNQHQRPPXCNUEW-UHFFFAOYSA-N 2 1 290.432 3.181 20 0 CGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ocnc1C ZINC000894158140 619395710 /nfs/dbraw/zinc/39/57/10/619395710.db2.gz OQUZQFQLSJHHTK-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3O)s2)CC[N@@H+]1C ZINC000894312315 619485730 /nfs/dbraw/zinc/48/57/30/619485730.db2.gz HKYXBFUCLMFGTD-RYUDHWBXSA-N 2 1 290.432 3.179 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3O)s2)CC[N@H+]1C ZINC000894312315 619485733 /nfs/dbraw/zinc/48/57/33/619485733.db2.gz HKYXBFUCLMFGTD-RYUDHWBXSA-N 2 1 290.432 3.179 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C/c2cccc(F)c2)CC1 ZINC000894564782 619577133 /nfs/dbraw/zinc/57/71/33/619577133.db2.gz AADVYXKKHVFAEJ-BBOMDTFKSA-N 2 1 276.399 3.255 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C/c2cccc(F)c2)CC1 ZINC000894564782 619577139 /nfs/dbraw/zinc/57/71/39/619577139.db2.gz AADVYXKKHVFAEJ-BBOMDTFKSA-N 2 1 276.399 3.255 20 0 CGADMP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262053994 619629998 /nfs/dbraw/zinc/62/99/98/619629998.db2.gz ZWZXMUODVJPPHQ-ZDUSSCGKSA-N 2 1 296.842 3.300 20 0 CGADMP CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895379368 619816770 /nfs/dbraw/zinc/81/67/70/619816770.db2.gz VCWLUUQKPMWVNV-NVXWUHKLSA-N 2 1 292.471 3.016 20 0 CGADMP CC(C)n1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895379368 619816771 /nfs/dbraw/zinc/81/67/71/619816771.db2.gz VCWLUUQKPMWVNV-NVXWUHKLSA-N 2 1 292.471 3.016 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019905681 620141953 /nfs/dbraw/zinc/14/19/53/620141953.db2.gz JRPHQSSDFJIYDC-UHFFFAOYSA-N 2 1 288.357 3.383 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797592042 620216708 /nfs/dbraw/zinc/21/67/08/620216708.db2.gz LHOKPBUONWFCEV-SWLSCSKDSA-N 2 1 295.858 3.206 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797592042 620216710 /nfs/dbraw/zinc/21/67/10/620216710.db2.gz LHOKPBUONWFCEV-SWLSCSKDSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797592042 620216713 /nfs/dbraw/zinc/21/67/13/620216713.db2.gz LHOKPBUONWFCEV-SWLSCSKDSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797592042 620216715 /nfs/dbraw/zinc/21/67/15/620216715.db2.gz LHOKPBUONWFCEV-SWLSCSKDSA-N 2 1 295.858 3.206 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)c(C)o1 ZINC000163283924 620225923 /nfs/dbraw/zinc/22/59/23/620225923.db2.gz SENWUSQBKSPGNQ-UHFFFAOYSA-N 2 1 264.413 3.108 20 0 CGADMP CC[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621674 620410824 /nfs/dbraw/zinc/41/08/24/620410824.db2.gz NFPOYKFBNGHPHY-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP CC[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621674 620410831 /nfs/dbraw/zinc/41/08/31/620410831.db2.gz NFPOYKFBNGHPHY-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP CC[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000897621674 620410835 /nfs/dbraw/zinc/41/08/35/620410835.db2.gz NFPOYKFBNGHPHY-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621756 620411605 /nfs/dbraw/zinc/41/16/05/620411605.db2.gz REKPVKWNLXUWON-ZRNYENFQSA-N 2 1 298.474 3.380 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621756 620411607 /nfs/dbraw/zinc/41/16/07/620411607.db2.gz REKPVKWNLXUWON-ZRNYENFQSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621756 620411610 /nfs/dbraw/zinc/41/16/10/620411610.db2.gz REKPVKWNLXUWON-ZRNYENFQSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621756 620411611 /nfs/dbraw/zinc/41/16/11/620411611.db2.gz REKPVKWNLXUWON-ZRNYENFQSA-N 2 1 298.474 3.380 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000924656087 620556682 /nfs/dbraw/zinc/55/66/82/620556682.db2.gz OJQYYHWGZUFZSM-AWEZNQCLSA-N 2 1 290.407 3.052 20 0 CGADMP C[C@H]1CC2(CC([NH2+]CC(C)(C)[N@@H+]3CCC[C@H](C)C3)C2)CO1 ZINC000924750651 620621576 /nfs/dbraw/zinc/62/15/76/620621576.db2.gz HAEAHYJAMRZTPE-WMTDPASSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1CC2(CC([NH2+]CC(C)(C)[N@H+]3CCC[C@H](C)C3)C2)CO1 ZINC000924750651 620621578 /nfs/dbraw/zinc/62/15/78/620621578.db2.gz HAEAHYJAMRZTPE-WMTDPASSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902408087 621294622 /nfs/dbraw/zinc/29/46/22/621294622.db2.gz WROIICAVSAEWHV-LLVKDONJSA-N 2 1 286.341 3.107 20 0 CGADMP CC(C)[C@H]([NH2+]CC1([NH3+])CC1)c1cc2ccccc2o1 ZINC000902413882 621323509 /nfs/dbraw/zinc/32/35/09/621323509.db2.gz PFFKBLBQSGJCRY-HNNXBMFYSA-N 2 1 258.365 3.211 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903057167 621546746 /nfs/dbraw/zinc/54/67/46/621546746.db2.gz CWHVFWJFQQNIOS-ZNXRZULTSA-N 2 1 270.420 3.242 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903069678 621568459 /nfs/dbraw/zinc/56/84/59/621568459.db2.gz YJYIQAZNVSISES-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903111813 621584783 /nfs/dbraw/zinc/58/47/83/621584783.db2.gz XBQSBOGXCLIFRF-SMMMKCNCSA-N 2 1 262.441 3.313 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903111843 621585300 /nfs/dbraw/zinc/58/53/00/621585300.db2.gz CWIJRGDBEXNZEL-ZBSSRIJBSA-N 2 1 285.435 3.198 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC13CCCC3)C2 ZINC000903158403 621603671 /nfs/dbraw/zinc/60/36/71/621603671.db2.gz AHGNROXGRNGCES-WDVRLDOZSA-N 2 1 260.425 3.067 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000903201314 621624666 /nfs/dbraw/zinc/62/46/66/621624666.db2.gz WXWSNSIVNCLVAQ-APNXOTQPSA-N 2 1 274.452 3.170 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCS1 ZINC000903228540 621638016 /nfs/dbraw/zinc/63/80/16/621638016.db2.gz VKHQYRAKABNCBM-BBQCCYIRSA-N 2 1 280.481 3.018 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)(C)C)c1cccnc1 ZINC000903380134 621722376 /nfs/dbraw/zinc/72/23/76/621722376.db2.gz KPSNVOKCKSSAFH-YESZJQIVSA-N 2 1 289.467 3.489 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC000903434541 621745023 /nfs/dbraw/zinc/74/50/23/621745023.db2.gz HQWOHHIHHQCXHC-OKZBNKHCSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441264 621750384 /nfs/dbraw/zinc/75/03/84/621750384.db2.gz KEYNIXYMOBEBMR-LOWVWBTDSA-N 2 1 280.362 3.011 20 0 CGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903565742 621767363 /nfs/dbraw/zinc/76/73/63/621767363.db2.gz CYBPANOOHLBEHN-RYRKJORJSA-N 2 1 272.436 3.254 20 0 CGADMP c1ccc([C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCS2)cc1 ZINC000903728874 621796750 /nfs/dbraw/zinc/79/67/50/621796750.db2.gz GPJDLAPZGABNBZ-NVXWUHKLSA-N 2 1 290.476 3.166 20 0 CGADMP FCc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903752009 621800396 /nfs/dbraw/zinc/80/03/96/621800396.db2.gz OEOYUPIXLBHSGV-RDJZCZTQSA-N 2 1 276.399 3.120 20 0 CGADMP FCc1ccccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903784701 621808209 /nfs/dbraw/zinc/80/82/09/621808209.db2.gz QJMNXZSALWKKBN-KRWDZBQOSA-N 2 1 276.399 3.122 20 0 CGADMP c1ccc2cc(CC[N@@H+]3CCC[C@]34CC[NH2+]C4)ccc2c1 ZINC000903865134 621822585 /nfs/dbraw/zinc/82/25/85/621822585.db2.gz AWDFFSIDCRFKCN-LJQANCHMSA-N 2 1 280.415 3.210 20 0 CGADMP c1ccc2cc(CC[N@H+]3CCC[C@]34CC[NH2+]C4)ccc2c1 ZINC000903865134 621822588 /nfs/dbraw/zinc/82/25/88/621822588.db2.gz AWDFFSIDCRFKCN-LJQANCHMSA-N 2 1 280.415 3.210 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000903888560 621823216 /nfs/dbraw/zinc/82/32/16/621823216.db2.gz GAYKBADPENYDDJ-ZIAGYGMSSA-N 2 1 274.399 3.404 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903879256 621825158 /nfs/dbraw/zinc/82/51/58/621825158.db2.gz WKEKVFYRQYRHEE-YPRXJGMQSA-N 2 1 294.389 3.488 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879259 621825454 /nfs/dbraw/zinc/82/54/54/621825454.db2.gz WPQAFEGSNRGATF-NXCDMZCRSA-N 2 1 270.420 3.354 20 0 CGADMP CC(C)(Cc1ccccc1Cl)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903897849 621829362 /nfs/dbraw/zinc/82/93/62/621829362.db2.gz HMZDCBMIJSKUSM-LLVKDONJSA-N 2 1 290.785 3.233 20 0 CGADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCc2ccccc21 ZINC000903932026 621834927 /nfs/dbraw/zinc/83/49/27/621834927.db2.gz LISKYHLVXSCIGY-UNPWZGGWSA-N 2 1 284.447 3.179 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000903946634 621839771 /nfs/dbraw/zinc/83/97/71/621839771.db2.gz XTGYCFSZCSTYHC-UHFFFAOYSA-N 2 1 276.355 3.275 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2cc3cccc(OC)c3o2)CC1 ZINC000903946117 621839903 /nfs/dbraw/zinc/83/99/03/621839903.db2.gz KHCSQDCQCPAWPG-UHFFFAOYSA-N 2 1 288.391 3.145 20 0 CGADMP Fc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1C(F)F ZINC000904299972 621901282 /nfs/dbraw/zinc/90/12/82/621901282.db2.gz SQYQSEYABDUOCA-UHFFFAOYSA-N 2 1 298.352 3.480 20 0 CGADMP Fc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1C(F)F ZINC000904299972 621901286 /nfs/dbraw/zinc/90/12/86/621901286.db2.gz SQYQSEYABDUOCA-UHFFFAOYSA-N 2 1 298.352 3.480 20 0 CGADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308565 621903155 /nfs/dbraw/zinc/90/31/55/621903155.db2.gz RWZRTWYUNSZWPM-GYSYKLTISA-N 2 1 286.341 3.436 20 0 CGADMP C[C@@]1(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000904322563 621905820 /nfs/dbraw/zinc/90/58/20/621905820.db2.gz ZUELYYFGXCQLKA-IAGOWNOFSA-N 2 1 290.476 3.166 20 0 CGADMP C[C@@]1(C[N@H+]2CCS[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000904322563 621905825 /nfs/dbraw/zinc/90/58/25/621905825.db2.gz ZUELYYFGXCQLKA-IAGOWNOFSA-N 2 1 290.476 3.166 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904340960 621909248 /nfs/dbraw/zinc/90/92/48/621909248.db2.gz GPRYCHBFERFOAO-ROUUACIJSA-N 2 1 272.436 3.174 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)C1 ZINC000904345678 621910124 /nfs/dbraw/zinc/91/01/24/621910124.db2.gz INQWJFWKDHGPTO-IKLKHMQRSA-N 2 1 284.447 3.382 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000904345844 621910492 /nfs/dbraw/zinc/91/04/92/621910492.db2.gz KACIYEHBFFUWBG-CVEARBPZSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCc2ccc(Cl)cc21 ZINC000904376858 621916690 /nfs/dbraw/zinc/91/66/90/621916690.db2.gz XUGCEVLZFMYTSS-SLEUVZQESA-N 2 1 278.827 3.039 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406985 621919147 /nfs/dbraw/zinc/91/91/47/621919147.db2.gz ZNWVNAYJXRAVCY-ZDUSSCGKSA-N 2 1 272.392 3.166 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@H]1C[NH3+] ZINC000904409725 621919222 /nfs/dbraw/zinc/91/92/22/621919222.db2.gz HDQCYWAONZNCBX-JQWIXIFHSA-N 2 1 286.341 3.180 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)cc1C ZINC000904446014 621923989 /nfs/dbraw/zinc/92/39/89/621923989.db2.gz WIQIBCJBKDGEAH-HIFRSBDPSA-N 2 1 264.413 3.028 20 0 CGADMP C[N@H+](CC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C1CCCCC1 ZINC000924802879 622057501 /nfs/dbraw/zinc/05/75/01/622057501.db2.gz OZKGKNCINFGOAL-WMZOPIPTSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C1CCCCC1 ZINC000924802879 622057504 /nfs/dbraw/zinc/05/75/04/622057504.db2.gz OZKGKNCINFGOAL-WMZOPIPTSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906593392 622249796 /nfs/dbraw/zinc/24/97/96/622249796.db2.gz VHZWBQIOWRZKRQ-BMGDILEWSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906593392 622249799 /nfs/dbraw/zinc/24/97/99/622249799.db2.gz VHZWBQIOWRZKRQ-BMGDILEWSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906593392 622249802 /nfs/dbraw/zinc/24/98/02/622249802.db2.gz VHZWBQIOWRZKRQ-BMGDILEWSA-N 2 1 290.426 3.345 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906593392 622249805 /nfs/dbraw/zinc/24/98/05/622249805.db2.gz VHZWBQIOWRZKRQ-BMGDILEWSA-N 2 1 290.426 3.345 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590380 622251755 /nfs/dbraw/zinc/25/17/55/622251755.db2.gz PYQUWQRLNFCKKI-FGTMMUONSA-N 2 1 288.410 3.099 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590380 622251757 /nfs/dbraw/zinc/25/17/57/622251757.db2.gz PYQUWQRLNFCKKI-FGTMMUONSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590380 622251763 /nfs/dbraw/zinc/25/17/63/622251763.db2.gz PYQUWQRLNFCKKI-FGTMMUONSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1C[C@@H]1c1cccc(F)c1)C2 ZINC000906590380 622251766 /nfs/dbraw/zinc/25/17/66/622251766.db2.gz PYQUWQRLNFCKKI-FGTMMUONSA-N 2 1 288.410 3.099 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000224410567 622876344 /nfs/dbraw/zinc/87/63/44/622876344.db2.gz JMRNEPXSTYVFMR-AWEZNQCLSA-N 2 1 266.404 3.078 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000224410567 622876346 /nfs/dbraw/zinc/87/63/46/622876346.db2.gz JMRNEPXSTYVFMR-AWEZNQCLSA-N 2 1 266.404 3.078 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000312975700 623623558 /nfs/dbraw/zinc/62/35/58/623623558.db2.gz VSUFATOFFNEOIM-HOTGVXAUSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000312975700 623623564 /nfs/dbraw/zinc/62/35/64/623623564.db2.gz VSUFATOFFNEOIM-HOTGVXAUSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[NH+]1CCCCC1 ZINC000921475513 624598493 /nfs/dbraw/zinc/59/84/93/624598493.db2.gz AFBDLJXLILVKMI-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000237761642 624682853 /nfs/dbraw/zinc/68/28/53/624682853.db2.gz QAOMOFRGWIKWNF-UHFFFAOYSA-N 2 1 276.399 3.098 20 0 CGADMP CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000923272226 626141997 /nfs/dbraw/zinc/14/19/97/626141997.db2.gz DYLUTXOWLPJGPG-QGZVFWFLSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923316578 626144986 /nfs/dbraw/zinc/14/49/86/626144986.db2.gz KRNJIAOMYDNGMD-WMLDXEAASA-N 2 1 258.409 3.007 20 0 CGADMP CCc1csc([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923323221 626145784 /nfs/dbraw/zinc/14/57/84/626145784.db2.gz GNNRBPXVXLBOJP-ZDUSSCGKSA-N 2 1 293.480 3.027 20 0 CGADMP CCc1csc([C@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923323221 626145787 /nfs/dbraw/zinc/14/57/87/626145787.db2.gz GNNRBPXVXLBOJP-ZDUSSCGKSA-N 2 1 293.480 3.027 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000923491743 626157707 /nfs/dbraw/zinc/15/77/07/626157707.db2.gz MODNLSMWKIDUSG-GFCCVEGCSA-N 2 1 286.391 3.172 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923502714 626158653 /nfs/dbraw/zinc/15/86/53/626158653.db2.gz DPAKMUJYSCFYSC-VXGBXAGGSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)CC[C@@H]1C[NH3+] ZINC000923501361 626159578 /nfs/dbraw/zinc/15/95/78/626159578.db2.gz QWDPIVYPHYFVKC-GXTWGEPZSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923501741 626159743 /nfs/dbraw/zinc/15/97/43/626159743.db2.gz UXTXZDLTVBRMKV-AAEUAGOBSA-N 2 1 286.341 3.122 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522295 626161135 /nfs/dbraw/zinc/16/11/35/626161135.db2.gz RTLOJUVPKQTYCT-FPMFFAJLSA-N 2 1 298.352 3.308 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000840808299 626179580 /nfs/dbraw/zinc/17/95/80/626179580.db2.gz BAHWHYHDDBUQLZ-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCc2c(C)cccc2C1 ZINC000755002836 626596163 /nfs/dbraw/zinc/59/61/63/626596163.db2.gz AWXKFYXJQBWHEX-UHFFFAOYSA-N 2 1 260.425 3.085 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCc2c(C)cccc2C1 ZINC000755002836 626596165 /nfs/dbraw/zinc/59/61/65/626596165.db2.gz AWXKFYXJQBWHEX-UHFFFAOYSA-N 2 1 260.425 3.085 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000757877175 626812140 /nfs/dbraw/zinc/81/21/40/626812140.db2.gz WWMJSNFSUQNTAG-OAHLLOKOSA-N 2 1 283.419 3.336 20 0 CGADMP CCCCC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121410421 634534965 /nfs/dbraw/zinc/53/49/65/634534965.db2.gz LUCNXMPICMQWEZ-UONOGXRCSA-N 2 1 251.418 3.386 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc[nH]1 ZINC000764613316 627214739 /nfs/dbraw/zinc/21/47/39/627214739.db2.gz CNVYOOPCSCQHCC-INIZCTEOSA-N 2 1 297.446 3.372 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccnc(Cl)c1 ZINC000764661088 627216569 /nfs/dbraw/zinc/21/65/69/627216569.db2.gz BNKDVLDBUUTDCH-CYBMUJFWSA-N 2 1 281.831 3.262 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000764967657 627234313 /nfs/dbraw/zinc/23/43/13/627234313.db2.gz WYCPPOJDPWMRIH-RDBSUJKOSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000764967657 627234315 /nfs/dbraw/zinc/23/43/15/627234315.db2.gz WYCPPOJDPWMRIH-RDBSUJKOSA-N 2 1 270.486 3.123 20 0 CGADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3cc(OC)ccc32)C[C@H]1C ZINC000765640857 627264647 /nfs/dbraw/zinc/26/46/47/627264647.db2.gz HPERGHUKTSLCKA-ZIAGYGMSSA-N 2 1 299.418 3.162 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000765758589 627269288 /nfs/dbraw/zinc/26/92/88/627269288.db2.gz NLYMXJDPZAYKCH-RDTXWAMCSA-N 2 1 283.419 3.413 20 0 CGADMP C[C@H]([NH2+]C1CC(C(F)F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000769550715 627565244 /nfs/dbraw/zinc/56/52/44/627565244.db2.gz DPJVSYCSGBVELD-MRFVTOPCSA-N 2 1 286.410 3.273 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000769870266 627585306 /nfs/dbraw/zinc/58/53/06/627585306.db2.gz FQGHVKZMRCPCLN-ZFWWWQNUSA-N 2 1 293.455 3.316 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000769870266 627585307 /nfs/dbraw/zinc/58/53/07/627585307.db2.gz FQGHVKZMRCPCLN-ZFWWWQNUSA-N 2 1 293.455 3.316 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000769870226 627585420 /nfs/dbraw/zinc/58/54/20/627585420.db2.gz FNNUSGLSEZKWIM-NEPJUHHUSA-N 2 1 290.411 3.037 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776045926 628160974 /nfs/dbraw/zinc/16/09/74/628160974.db2.gz UVVQVZVZAZBBPO-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776045926 628160976 /nfs/dbraw/zinc/16/09/76/628160976.db2.gz UVVQVZVZAZBBPO-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CF)cc2)C[C@@H]1C ZINC000777596558 628287055 /nfs/dbraw/zinc/28/70/55/628287055.db2.gz SFXYIKURIAVDFX-WMLDXEAASA-N 2 1 278.415 3.461 20 0 CGADMP CCC(CC)(C[NH2+][C@@H](C)CCO)[NH2+][C@@H](C)c1ccccc1 ZINC000779349058 628409544 /nfs/dbraw/zinc/40/95/44/628409544.db2.gz VEZZDQMSMPRQBO-HOTGVXAUSA-N 2 1 292.467 3.257 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782182331 628621227 /nfs/dbraw/zinc/62/12/27/628621227.db2.gz BNLVRKBPUNMFSG-INIZCTEOSA-N 2 1 274.452 3.200 20 0 CGADMP COCC[NH+]1CCC([NH2+]Cc2ccccc2C(C)C)CC1 ZINC000783315660 628703068 /nfs/dbraw/zinc/70/30/68/628703068.db2.gz FXWWVXVHOCJYOL-UHFFFAOYSA-N 2 1 290.451 3.010 20 0 CGADMP C[NH+]1CCC(C[N@@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000788481766 629057852 /nfs/dbraw/zinc/05/78/52/629057852.db2.gz TZVIZGHJZRLYJO-UHFFFAOYSA-N 2 1 290.426 3.174 20 0 CGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)C ZINC000788487855 629058895 /nfs/dbraw/zinc/05/88/95/629058895.db2.gz JHOZORGPHBUYOZ-UHFFFAOYSA-N 2 1 254.462 3.332 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC000863541602 629602054 /nfs/dbraw/zinc/60/20/54/629602054.db2.gz JZKIWCRBGKHOHF-UHFFFAOYSA-N 2 1 295.430 3.119 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000863652209 629632887 /nfs/dbraw/zinc/63/28/87/629632887.db2.gz PLWZQERKRNZVQY-ZDMKNRLGSA-N 2 1 284.447 3.110 20 0 CGADMP C[N@H+]1CCN(c2ccncc2C(F)(F)F)CCC1(C)C ZINC000864088742 629765735 /nfs/dbraw/zinc/76/57/35/629765735.db2.gz GRBFBZROBJIVLI-UHFFFAOYSA-N 2 1 287.329 3.021 20 0 CGADMP C[N@@H+]1CCN(c2cc[nH+]cc2C(F)(F)F)CCC1(C)C ZINC000864088742 629765747 /nfs/dbraw/zinc/76/57/47/629765747.db2.gz GRBFBZROBJIVLI-UHFFFAOYSA-N 2 1 287.329 3.021 20 0 CGADMP C[N@H+]1CCN(c2cc[nH+]cc2C(F)(F)F)CCC1(C)C ZINC000864088742 629765752 /nfs/dbraw/zinc/76/57/52/629765752.db2.gz GRBFBZROBJIVLI-UHFFFAOYSA-N 2 1 287.329 3.021 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)cn1 ZINC000796694316 629815964 /nfs/dbraw/zinc/81/59/64/629815964.db2.gz LFMARJRIQXHOJR-JKSUJKDBSA-N 2 1 284.407 3.100 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000796774435 629831192 /nfs/dbraw/zinc/83/11/92/629831192.db2.gz FEZJMMYXNCKVSQ-XYPHTWIQSA-N 2 1 276.399 3.097 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)SC ZINC000796784473 629833320 /nfs/dbraw/zinc/83/33/20/629833320.db2.gz VTLUNSGPJLILDJ-RBSFLKMASA-N 2 1 284.513 3.371 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cn1 ZINC000800968905 630314176 /nfs/dbraw/zinc/31/41/76/630314176.db2.gz XSIYZRVRHQDPJX-IRXDYDNUSA-N 2 1 296.418 3.244 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCSC(C)(C)C)C1 ZINC000801923808 630368020 /nfs/dbraw/zinc/36/80/20/630368020.db2.gz FOYAGMABUWADLB-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCSC(C)(C)C)C1 ZINC000801923808 630368024 /nfs/dbraw/zinc/36/80/24/630368024.db2.gz FOYAGMABUWADLB-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000801923808 630368026 /nfs/dbraw/zinc/36/80/26/630368026.db2.gz FOYAGMABUWADLB-AWEZNQCLSA-N 2 1 272.502 3.182 20 0 CGADMP Clc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000843386447 635656549 /nfs/dbraw/zinc/65/65/49/635656549.db2.gz IGEYUWNUGLQDSO-NEPJUHHUSA-N 2 1 299.871 3.008 20 0 CGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817931389 632236353 /nfs/dbraw/zinc/23/63/53/632236353.db2.gz RTOCBGQEHCPQLD-RRFJBIMHSA-N 2 1 293.842 3.054 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000817961727 632257845 /nfs/dbraw/zinc/25/78/45/632257845.db2.gz AWGCKSQNDPWZGQ-JKSUJKDBSA-N 2 1 276.424 3.180 20 0 CGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1SC(C)(C)C ZINC000817977850 632268678 /nfs/dbraw/zinc/26/86/78/632268678.db2.gz QPESILFODZIAER-UYHMYPTGSA-N 2 1 290.476 3.446 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000817979896 632270515 /nfs/dbraw/zinc/27/05/15/632270515.db2.gz PZKXCHVIFLGAQK-PWSUYJOCSA-N 2 1 270.804 3.045 20 0 CGADMP CN(c1cc[nH+]cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000865800366 632893475 /nfs/dbraw/zinc/89/34/75/632893475.db2.gz YCTAOAADHLMRID-FOSCPWQOSA-N 2 1 299.340 3.162 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822751165 633015739 /nfs/dbraw/zinc/01/57/39/633015739.db2.gz UFTIJOXNMVWMGA-AVGNSLFASA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822751165 633015740 /nfs/dbraw/zinc/01/57/40/633015740.db2.gz UFTIJOXNMVWMGA-AVGNSLFASA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822751165 633015741 /nfs/dbraw/zinc/01/57/41/633015741.db2.gz UFTIJOXNMVWMGA-AVGNSLFASA-N 2 1 293.282 3.232 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccn1 ZINC000866282141 633064834 /nfs/dbraw/zinc/06/48/34/633064834.db2.gz MIHICFQUZVRAMM-ZOBUZTSGSA-N 2 1 275.440 3.241 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866360446 633099869 /nfs/dbraw/zinc/09/98/69/633099869.db2.gz WEDKANSGHSFVMD-CVEARBPZSA-N 2 1 277.456 3.113 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866360446 633099871 /nfs/dbraw/zinc/09/98/71/633099871.db2.gz WEDKANSGHSFVMD-CVEARBPZSA-N 2 1 277.456 3.113 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000866396643 633122204 /nfs/dbraw/zinc/12/22/04/633122204.db2.gz AUPNJYJGOBGWQG-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(F)(F)F ZINC000866505514 633165785 /nfs/dbraw/zinc/16/57/85/633165785.db2.gz NPTDAXIBTMWOKY-RYUDHWBXSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000122051594 633305031 /nfs/dbraw/zinc/30/50/31/633305031.db2.gz JYVJUHVMRCRCKL-TZUVLKIQSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000122051594 633305038 /nfs/dbraw/zinc/30/50/38/633305038.db2.gz JYVJUHVMRCRCKL-TZUVLKIQSA-N 2 1 290.426 3.362 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000872020749 633941003 /nfs/dbraw/zinc/94/10/03/633941003.db2.gz JYVGJRKRJCSMIZ-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000872023276 633943323 /nfs/dbraw/zinc/94/33/23/633943323.db2.gz DVNCFPXDCHEIDE-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000872023276 633943326 /nfs/dbraw/zinc/94/33/26/633943326.db2.gz DVNCFPXDCHEIDE-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCOC1 ZINC000872025747 633946325 /nfs/dbraw/zinc/94/63/25/633946325.db2.gz SMSNTJMMTFCJLR-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872031174 633950060 /nfs/dbraw/zinc/95/00/60/633950060.db2.gz GWTAWOJQDLPYJE-VXGBXAGGSA-N 2 1 291.370 3.023 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872031572 633950520 /nfs/dbraw/zinc/95/05/20/633950520.db2.gz KXVLSBGSECLYGO-NEPJUHHUSA-N 2 1 291.370 3.023 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000846218797 636161478 /nfs/dbraw/zinc/16/14/78/636161478.db2.gz WZYZKSFCPUVPQR-QZTJIDSGSA-N 2 1 290.451 3.094 20 0 CGADMP Cc1cnc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156656 634068170 /nfs/dbraw/zinc/06/81/70/634068170.db2.gz KXZIIRUNNYTBJP-ZBFHGGJFSA-N 2 1 291.439 3.103 20 0 CGADMP CC(C)[C@H](C)[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873200885 634284859 /nfs/dbraw/zinc/28/48/59/634284859.db2.gz MAXICYQWCDODAL-LBPRGKRZSA-N 2 1 278.465 3.403 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cnc1Cl ZINC000835063181 634343407 /nfs/dbraw/zinc/34/34/07/634343407.db2.gz VNONBUQRTOEZRN-UHFFFAOYSA-N 2 1 281.831 3.007 20 0 CGADMP Cc1cc(C)cc(CC[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000876662120 634877617 /nfs/dbraw/zinc/87/76/17/634877617.db2.gz LTADOWCYLXKHNC-UHFFFAOYSA-N 2 1 274.452 3.308 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000840809167 635055747 /nfs/dbraw/zinc/05/57/47/635055747.db2.gz PSWGMSGYHMEBMD-HUUCEWRRSA-N 2 1 288.435 3.004 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000841009831 635106390 /nfs/dbraw/zinc/10/63/90/635106390.db2.gz HTEJLUPFHHDLPR-AWEZNQCLSA-N 2 1 252.377 3.024 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cnc1Cl ZINC000841039114 635112085 /nfs/dbraw/zinc/11/20/85/635112085.db2.gz ATROHINIDJEDBQ-CQSZACIVSA-N 2 1 281.831 3.041 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841086984 635119625 /nfs/dbraw/zinc/11/96/25/635119625.db2.gz GWLPQIFMZOQYCC-WWDZGPRUSA-N 2 1 295.515 3.151 20 0 CGADMP Clc1csc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841090385 635120988 /nfs/dbraw/zinc/12/09/88/635120988.db2.gz ONKNTFLONGVCAX-NSHDSACASA-N 2 1 270.829 3.166 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743392 635179921 /nfs/dbraw/zinc/17/99/21/635179921.db2.gz VLUMOIDXUWKFQE-ZSYWTGECSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743392 635179927 /nfs/dbraw/zinc/17/99/27/635179927.db2.gz VLUMOIDXUWKFQE-ZSYWTGECSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743392 635179932 /nfs/dbraw/zinc/17/99/32/635179932.db2.gz VLUMOIDXUWKFQE-ZSYWTGECSA-N 2 1 284.447 3.206 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877744201 635180699 /nfs/dbraw/zinc/18/06/99/635180699.db2.gz PUMDAAGVAWJLAM-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877744201 635180705 /nfs/dbraw/zinc/18/07/05/635180705.db2.gz PUMDAAGVAWJLAM-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877744201 635180708 /nfs/dbraw/zinc/18/07/08/635180708.db2.gz PUMDAAGVAWJLAM-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877744201 635180715 /nfs/dbraw/zinc/18/07/15/635180715.db2.gz PUMDAAGVAWJLAM-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000842472707 635378358 /nfs/dbraw/zinc/37/83/58/635378358.db2.gz ITNDZJINXWPOSM-MRXNPFEDSA-N 2 1 288.435 3.004 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843047197 635549614 /nfs/dbraw/zinc/54/96/14/635549614.db2.gz JLURFKACTPDZDF-LBPRGKRZSA-N 2 1 286.391 3.172 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843047197 635549619 /nfs/dbraw/zinc/54/96/19/635549619.db2.gz JLURFKACTPDZDF-LBPRGKRZSA-N 2 1 286.391 3.172 20 0 CGADMP CC(C)([NH3+])C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000843060061 635555567 /nfs/dbraw/zinc/55/55/67/635555567.db2.gz BBSZLCWWXLFDJN-UHFFFAOYSA-N 2 1 271.408 3.085 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[C@H]1CCCC1(F)F)C2 ZINC000878663495 635595468 /nfs/dbraw/zinc/59/54/68/635595468.db2.gz ZYXQUDOTMVYWKQ-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000878663495 635595472 /nfs/dbraw/zinc/59/54/72/635595472.db2.gz ZYXQUDOTMVYWKQ-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000878663495 635595474 /nfs/dbraw/zinc/59/54/74/635595474.db2.gz ZYXQUDOTMVYWKQ-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C(F)F)c1 ZINC000843360119 635653878 /nfs/dbraw/zinc/65/38/78/635653878.db2.gz ABKIBFODLQOPLQ-GOOCMWNKSA-N 2 1 280.362 3.468 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)F)c1 ZINC000843360119 635653882 /nfs/dbraw/zinc/65/38/82/635653882.db2.gz ABKIBFODLQOPLQ-GOOCMWNKSA-N 2 1 280.362 3.468 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000879286062 635746760 /nfs/dbraw/zinc/74/67/60/635746760.db2.gz JCYVZHDDWRQNOR-HNNXBMFYSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@@H](CF)C1)[NH+]1CCC[C@@H](CF)C1 ZINC000880233912 635946214 /nfs/dbraw/zinc/94/62/14/635946214.db2.gz AORPDEXHMZSZEU-PMPSAXMXSA-N 2 1 288.426 3.128 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@@H](CF)C1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880233912 635946225 /nfs/dbraw/zinc/94/62/25/635946225.db2.gz AORPDEXHMZSZEU-PMPSAXMXSA-N 2 1 288.426 3.128 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@@H](CF)C1)[N@H+]1CCC[C@@H](CF)C1 ZINC000880233912 635946229 /nfs/dbraw/zinc/94/62/29/635946229.db2.gz AORPDEXHMZSZEU-PMPSAXMXSA-N 2 1 288.426 3.128 20 0 CGADMP C[C@@H]1C[C@H](Nc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000128834346 636079652 /nfs/dbraw/zinc/07/96/52/636079652.db2.gz VISLPKCKOGFFFO-GDBMZVCRSA-N 2 1 273.424 3.181 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCCCC[NH3+] ZINC000846218987 636161908 /nfs/dbraw/zinc/16/19/08/636161908.db2.gz BFPCBEGMZKWPKH-NVXWUHKLSA-N 2 1 260.425 3.384 20 0 CGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCCCC[NH3+] ZINC000846219309 636162181 /nfs/dbraw/zinc/16/21/81/636162181.db2.gz NUVSHFJJIZYZQG-AEFFLSMTSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCCCC[NH3+] ZINC000846219311 636162471 /nfs/dbraw/zinc/16/24/71/636162471.db2.gz NUVSHFJJIZYZQG-SJLPKXTDSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCC2)cc(C)c1OC(F)F ZINC000848545886 636600138 /nfs/dbraw/zinc/60/01/38/636600138.db2.gz MQBTYYQLFBOGON-UHFFFAOYSA-N 2 1 298.377 3.090 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000131442812 636656068 /nfs/dbraw/zinc/65/60/68/636656068.db2.gz WUDHQZYUGDVZRY-LBPRGKRZSA-N 2 1 269.820 3.118 20 0 CGADMP [NH3+][C@H]1CCCCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883437845 636756670 /nfs/dbraw/zinc/75/66/70/636756670.db2.gz CJJLGKAMROHITN-OLZOCXBDSA-N 2 1 260.372 3.015 20 0 CGADMP CCc1ccc(C)[nH+]c1NCc1ncc(C[NH+](C)C)s1 ZINC000849347526 636816747 /nfs/dbraw/zinc/81/67/47/636816747.db2.gz NGLFCAUUESEICG-UHFFFAOYSA-N 2 1 290.436 3.083 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850425045 637056779 /nfs/dbraw/zinc/05/67/79/637056779.db2.gz JAYYNQFBVNNOHW-AWEZNQCLSA-N 2 1 299.418 3.257 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000850539574 637113437 /nfs/dbraw/zinc/11/34/37/637113437.db2.gz DIEMFOBJDPPYPM-ZWKOTPCHSA-N 2 1 274.452 3.328 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000885922950 637312818 /nfs/dbraw/zinc/31/28/18/637312818.db2.gz MEJOLYYPDFEPGH-LUKYLMHMSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000885922950 637312822 /nfs/dbraw/zinc/31/28/22/637312822.db2.gz MEJOLYYPDFEPGH-LUKYLMHMSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000885923234 637312998 /nfs/dbraw/zinc/31/29/98/637312998.db2.gz UIUGONVWEAXKKA-KZNAEPCWSA-N 2 1 296.499 3.436 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000885923235 637313586 /nfs/dbraw/zinc/31/35/86/637313586.db2.gz UIUGONVWEAXKKA-OKZBNKHCSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000886041132 637382861 /nfs/dbraw/zinc/38/28/61/637382861.db2.gz KNRQPCMECFQUDE-CQSZACIVSA-N 2 1 295.858 3.193 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000886041132 637382864 /nfs/dbraw/zinc/38/28/64/637382864.db2.gz KNRQPCMECFQUDE-CQSZACIVSA-N 2 1 295.858 3.193 20 0 CGADMP Fc1cccc(/C=C\C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000886102268 637412568 /nfs/dbraw/zinc/41/25/68/637412568.db2.gz CDIASMCTQLKDLW-ALCCZGGFSA-N 2 1 288.410 3.445 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886169882 637446724 /nfs/dbraw/zinc/44/67/24/637446724.db2.gz KQLJYJAQHPPYRO-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000219625446 637536479 /nfs/dbraw/zinc/53/64/79/637536479.db2.gz IJJKSTDQHREEQW-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000219625446 637536486 /nfs/dbraw/zinc/53/64/86/637536486.db2.gz IJJKSTDQHREEQW-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP c1cnc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000886517871 637548899 /nfs/dbraw/zinc/54/88/99/637548899.db2.gz VKGAQBWZTCJJDM-GOSISDBHSA-N 2 1 299.462 3.313 20 0 CGADMP C[N@@H+](CC[C@H]1CCc2ccccc21)C1CCC([NH3+])CC1 ZINC000852740984 637703170 /nfs/dbraw/zinc/70/31/70/637703170.db2.gz NMDXAHZFFZZZFA-KLAILNCOSA-N 2 1 272.436 3.308 20 0 CGADMP Cc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000852759242 637707650 /nfs/dbraw/zinc/70/76/50/637707650.db2.gz LYIHCJWGYLRKQD-SJLPKXTDSA-N 2 1 290.451 3.213 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)Cc1cccc(F)c1)[NH+]1CCCC1 ZINC000221975233 637771518 /nfs/dbraw/zinc/77/15/18/637771518.db2.gz RVHQNKCHCRIZKS-QAPCUYQASA-N 2 1 292.442 3.467 20 0 CGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000300570110 637845010 /nfs/dbraw/zinc/84/50/10/637845010.db2.gz JXFSLVLXNRMAJL-ZIAGYGMSSA-N 2 1 270.486 3.125 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000854223506 638026403 /nfs/dbraw/zinc/02/64/03/638026403.db2.gz QNBWIAFLYHCUIZ-ZDUSSCGKSA-N 2 1 262.397 3.007 20 0 CGADMP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(OC)n1 ZINC000924577926 638365828 /nfs/dbraw/zinc/36/58/28/638365828.db2.gz JVXBGVLGUPXZEH-HNNXBMFYSA-N 2 1 291.439 3.007 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924651643 638383995 /nfs/dbraw/zinc/38/39/95/638383995.db2.gz ZOYHNILPHUNMSS-FVQBIDKESA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccns1 ZINC000924684748 638388517 /nfs/dbraw/zinc/38/85/17/638388517.db2.gz FPBMVCPRMKLBOG-KGLIPLIRSA-N 2 1 281.469 3.306 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]C[C@@H](C3CCCCC3)[NH+](C)C)C2)CO1 ZINC000924693749 638389939 /nfs/dbraw/zinc/38/99/39/638389939.db2.gz HVNNSAYDBJXLEK-YKWDICOMSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]Cc1nccs1)c1cccc(C[NH+](C)C)c1 ZINC000924731430 638395843 /nfs/dbraw/zinc/39/58/43/638395843.db2.gz XUDNVDHYUNAGOU-LBPRGKRZSA-N 2 1 275.421 3.056 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000924738622 638396756 /nfs/dbraw/zinc/39/67/56/638396756.db2.gz NDGNQMYFNUPGGV-NUJGCVRESA-N 2 1 289.467 3.113 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@H](C)C(C(C)C)C(C)C)CC1 ZINC000924788891 638404303 /nfs/dbraw/zinc/40/43/03/638404303.db2.gz QLGCSDDSNAVVGV-OAHLLOKOSA-N 2 1 284.488 3.004 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccns2)c1 ZINC000924961527 638431648 /nfs/dbraw/zinc/43/16/48/638431648.db2.gz WLGSSVXZAPQLFV-ZDUSSCGKSA-N 2 1 289.448 3.446 20 0 CGADMP Cc1csc(C2([NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CCC2)n1 ZINC000925592439 638540401 /nfs/dbraw/zinc/54/04/01/638540401.db2.gz GXNORQZCSPKQNQ-QWHCGFSZSA-N 2 1 293.480 3.326 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCC(F)(F)F)c1ccccc1 ZINC000925604299 638542735 /nfs/dbraw/zinc/54/27/35/638542735.db2.gz IVRRZRYIGVWAGP-PWSUYJOCSA-N 2 1 260.303 3.007 20 0 CGADMP Clc1cccc(CC2([NH2+][C@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925687660 638569004 /nfs/dbraw/zinc/56/90/04/638569004.db2.gz LRORZVFFWDBOBM-HNNXBMFYSA-N 2 1 290.838 3.289 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925720825 638580598 /nfs/dbraw/zinc/58/05/98/638580598.db2.gz UVPRWTJFCPVWAT-QAETUUGQSA-N 2 1 282.472 3.090 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(C(F)(F)F)nc1 ZINC000925729673 638585826 /nfs/dbraw/zinc/58/58/26/638585826.db2.gz KSCAIQAWVBCGPN-SUZMYJTESA-N 2 1 299.340 3.021 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917195 638604392 /nfs/dbraw/zinc/60/43/92/638604392.db2.gz WPMVDGPIBYYOOK-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C2CCC2)o1 ZINC000925779026 638610203 /nfs/dbraw/zinc/61/02/03/638610203.db2.gz VZPJZFCGYWLBQP-DZGCQCFKSA-N 2 1 298.377 3.264 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1OC ZINC000925826272 638624537 /nfs/dbraw/zinc/62/45/37/638624537.db2.gz GOVLWFSFBVIFJK-XEZPLFJOSA-N 2 1 294.414 3.263 20 0 CGADMP CCC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccn1 ZINC000925839855 638628864 /nfs/dbraw/zinc/62/88/64/638628864.db2.gz FABCXPAMQAVSEZ-DJIMGWMZSA-N 2 1 273.424 3.045 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925872038 638637282 /nfs/dbraw/zinc/63/72/82/638637282.db2.gz NSPNLOJIWSZJMF-BZSNNMDCSA-N 2 1 299.462 3.217 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1(C)C ZINC000858162171 638647039 /nfs/dbraw/zinc/64/70/39/638647039.db2.gz RBHOSNHGXPEUJC-CVEARBPZSA-N 2 1 292.854 3.270 20 0 CGADMP C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119888 638713511 /nfs/dbraw/zinc/71/35/11/638713511.db2.gz RKOAFUYVGCZRLR-IHRRRGAJSA-N 2 1 284.875 3.389 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1coc2ccccc12 ZINC000926207619 638740535 /nfs/dbraw/zinc/74/05/35/638740535.db2.gz UBWGDJCCVRWJQY-GFCCVEGCSA-N 2 1 269.348 3.060 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000929747549 638946545 /nfs/dbraw/zinc/94/65/45/638946545.db2.gz FNTSKXXJVHBIIQ-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000929747549 638946549 /nfs/dbraw/zinc/94/65/49/638946549.db2.gz FNTSKXXJVHBIIQ-MRXNPFEDSA-N 2 1 278.415 3.032 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2CF)CC1 ZINC000929778047 638949790 /nfs/dbraw/zinc/94/97/90/638949790.db2.gz HBISHZXOEZNWLV-UHFFFAOYSA-N 2 1 264.388 3.072 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2CF)CC1 ZINC000929778047 638949792 /nfs/dbraw/zinc/94/97/92/638949792.db2.gz HBISHZXOEZNWLV-UHFFFAOYSA-N 2 1 264.388 3.072 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930557600 639025088 /nfs/dbraw/zinc/02/50/88/639025088.db2.gz GTMQFMLJXCAUBL-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930557600 639025096 /nfs/dbraw/zinc/02/50/96/639025096.db2.gz GTMQFMLJXCAUBL-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000930557600 639025101 /nfs/dbraw/zinc/02/51/01/639025101.db2.gz GTMQFMLJXCAUBL-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CCSc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930557600 639025104 /nfs/dbraw/zinc/02/51/04/639025104.db2.gz GTMQFMLJXCAUBL-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP C(CC1CCCC1)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288818 639130380 /nfs/dbraw/zinc/13/03/80/639130380.db2.gz VABGKARACKRIDW-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C(CC1CCCC1)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288818 639130384 /nfs/dbraw/zinc/13/03/84/639130384.db2.gz VABGKARACKRIDW-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP CC(C)CSCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310340 639132735 /nfs/dbraw/zinc/13/27/35/639132735.db2.gz DGVKHYQVIDFMLX-HZPDHXFCSA-N 2 1 284.513 3.039 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CCCSC(C)(C)C)C[C@]2(C)C1 ZINC000931316536 639132845 /nfs/dbraw/zinc/13/28/45/639132845.db2.gz JAMVOSLEEJOTQK-HOTGVXAUSA-N 2 1 284.513 3.182 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](CCOC2CCCCCC2)CC1 ZINC000931351010 639138640 /nfs/dbraw/zinc/13/86/40/639138640.db2.gz DSHXBCBHXHRJDJ-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP Cc1cc(C)nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000931704848 639192973 /nfs/dbraw/zinc/19/29/73/639192973.db2.gz ZJULQSSTNYCEEW-UHFFFAOYSA-N 2 1 289.467 3.396 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCCc3cccnc3)CC2)[nH+]c1C ZINC000931749377 639200079 /nfs/dbraw/zinc/20/00/79/639200079.db2.gz SAFNSAGIPDCKRB-UHFFFAOYSA-N 2 1 298.434 3.234 20 0 CGADMP Cc1cc(NC2CCC([NH+]3CCCCC3)CC2)nc(C)[nH+]1 ZINC000080247746 640458313 /nfs/dbraw/zinc/45/83/13/640458313.db2.gz QKXSTZBUJAXWSP-UHFFFAOYSA-N 2 1 288.439 3.302 20 0 CGADMP C[N@@H+](Cc1ccccc1C1CC1)C1CCC([NH3+])CC1 ZINC000094528318 640797442 /nfs/dbraw/zinc/79/74/42/640797442.db2.gz CAVFPKVNDDUXNY-UHFFFAOYSA-N 2 1 258.409 3.266 20 0 CGADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251742623 640831316 /nfs/dbraw/zinc/83/13/16/640831316.db2.gz UABXBROCDKJKTJ-NIOBXDJOSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251936642 640835970 /nfs/dbraw/zinc/83/59/70/640835970.db2.gz VTAZZRWNGJWPDD-FVPDABNVSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000252431395 640844986 /nfs/dbraw/zinc/84/49/86/640844986.db2.gz IKWSLUFYBODTAR-RBSFLKMASA-N 2 1 264.457 3.275 20 0 CGADMP COc1ccc2c(C)cc(N(CCC[NH3+])C(C)C)[nH+]c2c1 ZINC001156118036 805654980 /nfs/dbraw/zinc/65/49/80/805654980.db2.gz OMAVZVMESHBZJZ-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2nccc3c4c([nH]c32)CCC4)C1 ZINC001156386057 805681336 /nfs/dbraw/zinc/68/13/36/805681336.db2.gz NSHOCLTVJONMSW-ZDUSSCGKSA-N 2 1 298.434 3.195 20 0 CGADMP C[N@@H+]1CCC[C@@H](CCNc2[nH+]ccc3c4c([nH]c32)CCC4)C1 ZINC001156386057 805681340 /nfs/dbraw/zinc/68/13/40/805681340.db2.gz NSHOCLTVJONMSW-ZDUSSCGKSA-N 2 1 298.434 3.195 20 0 CGADMP C[N@H+]1CCC[C@@H](CCNc2[nH+]ccc3c4c([nH]c32)CCC4)C1 ZINC001156386057 805681347 /nfs/dbraw/zinc/68/13/47/805681347.db2.gz NSHOCLTVJONMSW-ZDUSSCGKSA-N 2 1 298.434 3.195 20 0 CGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2cccc2C[NH3+])nc1 ZINC001156730877 805729182 /nfs/dbraw/zinc/72/91/82/805729182.db2.gz RSHFCXUYMWEDDX-QGZVFWFLSA-N 2 1 298.434 3.268 20 0 CGADMP COc1ccc2c(C)cc(N3CCC[C@](C)(C[NH3+])C3)[nH+]c2c1 ZINC001158678949 805985599 /nfs/dbraw/zinc/98/55/99/805985599.db2.gz PUVZZEHJPIWRMN-GOSISDBHSA-N 2 1 299.418 3.117 20 0 CGADMP Cc1cc[nH+]c(N2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001159009211 806031757 /nfs/dbraw/zinc/03/17/57/806031757.db2.gz PEHDZOJSYSHASI-UHFFFAOYSA-N 2 1 293.414 3.031 20 0 CGADMP CCCC(CCC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257336942 807113090 /nfs/dbraw/zinc/11/30/90/807113090.db2.gz OFWZFQVSPXTYTN-UHFFFAOYSA-N 2 1 281.444 3.085 20 0 CGADMP C[N@@H+](C[C@H](O)C(C)(C)C)C1CC[NH+](C2CCCCC2)CC1 ZINC001253732324 806288136 /nfs/dbraw/zinc/28/81/36/806288136.db2.gz JUMMHGMMQMLKPS-KRWDZBQOSA-N 2 1 296.499 3.122 20 0 CGADMP CCc1cc(NC2CC[NH+](CC(C)(C)C)CC2)nc(C)[nH+]1 ZINC001161208886 806358305 /nfs/dbraw/zinc/35/83/05/806358305.db2.gz OZIHLTLTCBDGKD-UHFFFAOYSA-N 2 1 290.455 3.270 20 0 CGADMP COc1ccc([C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C2CC2)cc1 ZINC001254506218 806425216 /nfs/dbraw/zinc/42/52/16/806425216.db2.gz PJJHXRGDBSSRBG-AEFFLSMTSA-N 2 1 288.435 3.220 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505920 806425881 /nfs/dbraw/zinc/42/58/81/806425881.db2.gz LXIAVQDUUJKWHL-GDBMZVCRSA-N 2 1 278.827 3.401 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2cccc(F)c2)CC1 ZINC001254506089 806425993 /nfs/dbraw/zinc/42/59/93/806425993.db2.gz PBDNDHQHNFCCEE-OAHLLOKOSA-N 2 1 264.388 3.135 20 0 CGADMP COc1ccccc1C1([NH2+][C@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254510686 806429789 /nfs/dbraw/zinc/42/97/89/806429789.db2.gz PJZYLDLSBSXCKE-HNNXBMFYSA-N 2 1 288.435 3.148 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)CC2CCC2)CC1 ZINC001254509808 806431537 /nfs/dbraw/zinc/43/15/37/806431537.db2.gz JBYLINWCPOMTEG-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2cccc(Cl)c2F)CC1 ZINC001254512858 806432809 /nfs/dbraw/zinc/43/28/09/806432809.db2.gz SOTHTMMERUIOJP-CYBMUJFWSA-N 2 1 284.806 3.096 20 0 CGADMP Cc1ccc2cccc(C[NH2+][C@H]3CCC[N@H+](C)CC3)c2n1 ZINC001254514876 806434625 /nfs/dbraw/zinc/43/46/25/806434625.db2.gz PDWFBLOTYTVZQN-KRWDZBQOSA-N 2 1 283.419 3.117 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+](Cc2ccccc2)C2CC2)CC1 ZINC001254528836 806443808 /nfs/dbraw/zinc/44/38/08/806443808.db2.gz IIYKTQRFVSIIMM-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC001254528836 806443814 /nfs/dbraw/zinc/44/38/14/806443814.db2.gz IIYKTQRFVSIIMM-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC001254528836 806443819 /nfs/dbraw/zinc/44/38/19/806443819.db2.gz IIYKTQRFVSIIMM-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001254523335 806439676 /nfs/dbraw/zinc/43/96/76/806439676.db2.gz OHJIUQAARUKZSK-ZWKOTPCHSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001254523335 806439680 /nfs/dbraw/zinc/43/96/80/806439680.db2.gz OHJIUQAARUKZSK-ZWKOTPCHSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001254523335 806439681 /nfs/dbraw/zinc/43/96/81/806439681.db2.gz OHJIUQAARUKZSK-ZWKOTPCHSA-N 2 1 272.436 3.350 20 0 CGADMP CCCC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001255327090 806613608 /nfs/dbraw/zinc/61/36/08/806613608.db2.gz XMMLTPFEIQAFPO-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001255327090 806613612 /nfs/dbraw/zinc/61/36/12/806613612.db2.gz XMMLTPFEIQAFPO-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001255327090 806613617 /nfs/dbraw/zinc/61/36/17/806613617.db2.gz XMMLTPFEIQAFPO-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001255327090 806613623 /nfs/dbraw/zinc/61/36/23/806613623.db2.gz XMMLTPFEIQAFPO-ROUUACIJSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001255330186 806617014 /nfs/dbraw/zinc/61/70/14/806617014.db2.gz RONQSAAVUKBZBR-DOTOQJQBSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399510 806632782 /nfs/dbraw/zinc/63/27/82/806632782.db2.gz TYLCXRYAPYEUJF-KBAYOESNSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399510 806632790 /nfs/dbraw/zinc/63/27/90/806632790.db2.gz TYLCXRYAPYEUJF-KBAYOESNSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399510 806632795 /nfs/dbraw/zinc/63/27/95/806632795.db2.gz TYLCXRYAPYEUJF-KBAYOESNSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399510 806632799 /nfs/dbraw/zinc/63/27/99/806632799.db2.gz TYLCXRYAPYEUJF-KBAYOESNSA-N 2 1 290.426 3.473 20 0 CGADMP CC(C)(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255374622 806629135 /nfs/dbraw/zinc/62/91/35/806629135.db2.gz BJGCGXDDJYCICP-INIZCTEOSA-N 2 1 260.425 3.429 20 0 CGADMP FC1(F)CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381066 806629965 /nfs/dbraw/zinc/62/99/65/806629965.db2.gz OXXPRJPZUXRLJS-OAHLLOKOSA-N 2 1 294.389 3.428 20 0 CGADMP F[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403867 806631998 /nfs/dbraw/zinc/63/19/98/806631998.db2.gz QMSLGFCWLFESOA-QZTJIDSGSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403867 806632004 /nfs/dbraw/zinc/63/20/04/806632004.db2.gz QMSLGFCWLFESOA-QZTJIDSGSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403867 806632008 /nfs/dbraw/zinc/63/20/08/806632008.db2.gz QMSLGFCWLFESOA-QZTJIDSGSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403867 806632011 /nfs/dbraw/zinc/63/20/11/806632011.db2.gz QMSLGFCWLFESOA-QZTJIDSGSA-N 2 1 290.426 3.475 20 0 CGADMP C[N@H+]1CCC[C@H](n2cc(CC[NH3+])c3c2cccc3Cl)C1 ZINC001255478836 806648666 /nfs/dbraw/zinc/64/86/66/806648666.db2.gz YRKNPZHWPJOFDA-ZDUSSCGKSA-N 2 1 291.826 3.063 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC001255533234 806666397 /nfs/dbraw/zinc/66/63/97/806666397.db2.gz XQBKZVCSIZWMGV-WBVHZDCISA-N 2 1 290.451 3.041 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255667636 806699891 /nfs/dbraw/zinc/69/98/91/806699891.db2.gz NOCAQMTVSLWGCZ-RGPMPMONSA-N 2 1 299.462 3.446 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000086890113 798945486 /nfs/dbraw/zinc/94/54/86/798945486.db2.gz CJYYRPVLIMWLLV-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000086890113 798945494 /nfs/dbraw/zinc/94/54/94/798945494.db2.gz CJYYRPVLIMWLLV-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+](CCc1ccccc1F)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681672 806703225 /nfs/dbraw/zinc/70/32/25/806703225.db2.gz APSNNTLJWOBJGL-SJPCQFCGSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@@H+](CCc1ccccc1F)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681672 806703231 /nfs/dbraw/zinc/70/32/31/806703231.db2.gz APSNNTLJWOBJGL-SJPCQFCGSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccccc1F)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681672 806703241 /nfs/dbraw/zinc/70/32/41/806703241.db2.gz APSNNTLJWOBJGL-SJPCQFCGSA-N 2 1 290.426 3.315 20 0 CGADMP C[NH+](CCc1ccccc1F)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681672 806703246 /nfs/dbraw/zinc/70/32/46/806703246.db2.gz APSNNTLJWOBJGL-SJPCQFCGSA-N 2 1 290.426 3.315 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001255680203 806704739 /nfs/dbraw/zinc/70/47/39/806704739.db2.gz JRMGCGPJHVAAMA-YFVFXCHESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001255680203 806704749 /nfs/dbraw/zinc/70/47/49/806704749.db2.gz JRMGCGPJHVAAMA-YFVFXCHESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC001255680203 806704752 /nfs/dbraw/zinc/70/47/52/806704752.db2.gz JRMGCGPJHVAAMA-YFVFXCHESA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC001255680203 806704759 /nfs/dbraw/zinc/70/47/59/806704759.db2.gz JRMGCGPJHVAAMA-YFVFXCHESA-N 2 1 250.430 3.122 20 0 CGADMP CN1[C@@H]2CCC[C@H]1CC([N@@H+](C)CC/C=C/c1cccnc1)C2 ZINC001255684732 806705933 /nfs/dbraw/zinc/70/59/33/806705933.db2.gz VHFQKLIJJSEDHD-DXMMKHOUSA-N 2 1 299.462 3.432 20 0 CGADMP C[N@H+](CC/C=C/c1cccnc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684732 806705939 /nfs/dbraw/zinc/70/59/39/806705939.db2.gz VHFQKLIJJSEDHD-DXMMKHOUSA-N 2 1 299.462 3.432 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684732 806705943 /nfs/dbraw/zinc/70/59/43/806705943.db2.gz VHFQKLIJJSEDHD-DXMMKHOUSA-N 2 1 299.462 3.432 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255684732 806705950 /nfs/dbraw/zinc/70/59/50/806705950.db2.gz VHFQKLIJJSEDHD-DXMMKHOUSA-N 2 1 299.462 3.432 20 0 CGADMP C[NH+](CC/C=C/c1cccnc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255684732 806705956 /nfs/dbraw/zinc/70/59/56/806705956.db2.gz VHFQKLIJJSEDHD-DXMMKHOUSA-N 2 1 299.462 3.432 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CCC(C)(C)CC2)CC[NH2+]1 ZINC000235364229 799144549 /nfs/dbraw/zinc/14/45/49/799144549.db2.gz YQHVKVWQSOWJIE-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000312102521 799226686 /nfs/dbraw/zinc/22/66/86/799226686.db2.gz IIPKLKZFPCNKQX-CYBMUJFWSA-N 2 1 274.433 3.462 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000313455539 799231857 /nfs/dbraw/zinc/23/18/57/799231857.db2.gz SVXFYWUZMZMDDB-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC000315751900 799238422 /nfs/dbraw/zinc/23/84/22/799238422.db2.gz GRUJXUHSEIHOHH-HUUCEWRRSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001255773692 806744772 /nfs/dbraw/zinc/74/47/72/806744772.db2.gz OVLXCTQVTSFIET-QGZVFWFLSA-N 2 1 282.431 3.387 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001255773692 806744781 /nfs/dbraw/zinc/74/47/81/806744781.db2.gz OVLXCTQVTSFIET-QGZVFWFLSA-N 2 1 282.431 3.387 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000381951869 799391069 /nfs/dbraw/zinc/39/10/69/799391069.db2.gz CWVRRDKVHOXYDA-VXLLPVPCSA-N 2 1 264.457 3.419 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC34CC5CC(CC(C5)C3)C4)C[C@H]12 ZINC000385802173 799429501 /nfs/dbraw/zinc/42/95/01/799429501.db2.gz LUSCHNLWUZZJEB-ATOGSCFCSA-N 2 1 288.479 3.262 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](Nc2ccc3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC001163362381 806748157 /nfs/dbraw/zinc/74/81/57/806748157.db2.gz MZAFFSOOUKKTNY-HOCLYGCPSA-N 2 1 287.451 3.491 20 0 CGADMP CC(C)[N@H+]1CC[C@H](Nc2ccc3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC001163362381 806748160 /nfs/dbraw/zinc/74/81/60/806748160.db2.gz MZAFFSOOUKKTNY-HOCLYGCPSA-N 2 1 287.451 3.491 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc3[nH]ccc3c[nH+]2)[C@@H](C)C1 ZINC001163363373 806748246 /nfs/dbraw/zinc/74/82/46/806748246.db2.gz QMHLWLYRUDNVCD-GXTWGEPZSA-N 2 1 272.396 3.094 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000392290753 799480949 /nfs/dbraw/zinc/48/09/49/799480949.db2.gz KKPOYZMTGCVHKG-GVDBMIGSSA-N 2 1 262.441 3.197 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CCCCC1 ZINC000403551580 799567888 /nfs/dbraw/zinc/56/78/88/799567888.db2.gz GOCODMFBRCCEJR-GOOCMWNKSA-N 2 1 282.497 3.267 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C12CCC2 ZINC000405213922 799582420 /nfs/dbraw/zinc/58/24/20/799582420.db2.gz FBZDBVRMNSSWCE-NWANDNLSSA-N 2 1 292.423 3.222 20 0 CGADMP CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687950647 799741692 /nfs/dbraw/zinc/74/16/92/799741692.db2.gz YWQASWCPPYKBCS-RISCZKNCSA-N 2 1 264.438 3.014 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc(F)c1 ZINC000688009274 799742989 /nfs/dbraw/zinc/74/29/89/799742989.db2.gz BMBWHXCODKTYGN-UHFFFAOYSA-N 2 1 290.407 3.165 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001255878100 806779796 /nfs/dbraw/zinc/77/97/96/806779796.db2.gz AKQHTSODEIGRRG-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001255878100 806779799 /nfs/dbraw/zinc/77/97/99/806779799.db2.gz AKQHTSODEIGRRG-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000700679794 799877836 /nfs/dbraw/zinc/87/78/36/799877836.db2.gz YVNXMNRPXTYZMM-JTQLQIEISA-N 2 1 273.207 3.164 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC001255942100 806789967 /nfs/dbraw/zinc/78/99/67/806789967.db2.gz DJHYQTNMOISPII-AWEZNQCLSA-N 2 1 266.404 3.344 20 0 CGADMP CS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000707278172 799976839 /nfs/dbraw/zinc/97/68/39/799976839.db2.gz FKXKYSJBSJGHPA-CVEARBPZSA-N 2 1 290.476 3.048 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCCc2ncccc21 ZINC001255947652 806792773 /nfs/dbraw/zinc/79/27/73/806792773.db2.gz ULEMDALSAFIMDO-RHSMWYFYSA-N 2 1 275.440 3.169 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](C3CCCCC3)C2)C1 ZINC000708293988 799985564 /nfs/dbraw/zinc/98/55/64/799985564.db2.gz GNSJNUHXYHYAHK-CWRNSKLLSA-N 2 1 250.430 3.016 20 0 CGADMP C1C[N@H+]([C@@H]2CCC[NH2+]CC2)C[C@H]1C1CCCCC1 ZINC000708837743 799996620 /nfs/dbraw/zinc/99/66/20/799996620.db2.gz QILYVBUSGVMSKR-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CCOc1cc(C[NH2+][C@@H](C)CC[NH+](CC)CC)ccc1O ZINC001255952540 806794929 /nfs/dbraw/zinc/79/49/29/806794929.db2.gz UTJPWANNPMZSJS-AWEZNQCLSA-N 2 1 294.439 3.001 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000709828620 800020868 /nfs/dbraw/zinc/02/08/68/800020868.db2.gz PGUHMBSNPZJQNZ-OFLPRAFFSA-N 2 1 264.457 3.277 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709872025 800021809 /nfs/dbraw/zinc/02/18/09/800021809.db2.gz WXXQOTBVEOBKDZ-GOSISDBHSA-N 2 1 270.420 3.140 20 0 CGADMP CC1(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCCCC1 ZINC000709889651 800022376 /nfs/dbraw/zinc/02/23/76/800022376.db2.gz CVPCLKURPHXDSL-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255953864 806796580 /nfs/dbraw/zinc/79/65/80/806796580.db2.gz PZXRWXCMASXCTO-JFIYKMOQSA-N 3 1 295.515 3.231 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(F)cc1Cl ZINC000710800281 800040986 /nfs/dbraw/zinc/04/09/86/800040986.db2.gz UYYNPJSEAIABDW-UHFFFAOYSA-N 2 1 272.795 3.430 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCCC1 ZINC000711088192 800046988 /nfs/dbraw/zinc/04/69/88/800046988.db2.gz BJOPHWHIDQVLKK-YVSFHVDLSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]1c2sccc2CC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000711815071 800073188 /nfs/dbraw/zinc/07/31/88/800073188.db2.gz HFCYZIVZTFIHPU-QWHCGFSZSA-N 2 1 264.438 3.057 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CC2(C1)CCCCC2 ZINC001255966013 806802539 /nfs/dbraw/zinc/80/25/39/806802539.db2.gz JAOCOVSZYZTSAC-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000713026419 800103483 /nfs/dbraw/zinc/10/34/83/800103483.db2.gz LJFYYHGFXUYMIM-HIFRSBDPSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H](F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716654748 800177051 /nfs/dbraw/zinc/17/70/51/800177051.db2.gz KTRMPGVXUGCKJO-SPUZQDLCSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H](F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716654747 800177088 /nfs/dbraw/zinc/17/70/88/800177088.db2.gz KTRMPGVXUGCKJO-OWLYRPNTSA-N 2 1 290.426 3.377 20 0 CGADMP Cc1cnccc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256071678 806810434 /nfs/dbraw/zinc/81/04/34/806810434.db2.gz KPYVSPBXYCPDEI-GOSISDBHSA-N 2 1 285.435 3.058 20 0 CGADMP FC1(F)CCC2(C[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072122 806811884 /nfs/dbraw/zinc/81/18/84/806811884.db2.gz ILOACCICIHVOOV-AWEZNQCLSA-N 2 1 284.394 3.171 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000718800410 800223979 /nfs/dbraw/zinc/22/39/79/800223979.db2.gz LTHRZCRGPPNQTN-HZPDHXFCSA-N 2 1 270.461 3.043 20 0 CGADMP c1ccc([C@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256077767 806814737 /nfs/dbraw/zinc/81/47/37/806814737.db2.gz RHKOTJPDRXGAFS-GOSISDBHSA-N 2 1 270.420 3.450 20 0 CGADMP c1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256077767 806814744 /nfs/dbraw/zinc/81/47/44/806814744.db2.gz RHKOTJPDRXGAFS-GOSISDBHSA-N 2 1 270.420 3.450 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256080566 806815324 /nfs/dbraw/zinc/81/53/24/806815324.db2.gz YQHFVLCOQVWNMX-OAHLLOKOSA-N 2 1 288.410 3.242 20 0 CGADMP Fc1cccc([C@@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256080566 806815333 /nfs/dbraw/zinc/81/53/33/806815333.db2.gz YQHFVLCOQVWNMX-OAHLLOKOSA-N 2 1 288.410 3.242 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000720870508 800269552 /nfs/dbraw/zinc/26/95/52/800269552.db2.gz IYVWMIBWQDSMSL-FPMFFAJLSA-N 2 1 286.341 3.125 20 0 CGADMP Cc1c(C)n(-c2cccn3c[nH+]cc23)c2ccc(C[NH3+])cc12 ZINC001163762144 806819256 /nfs/dbraw/zinc/81/92/56/806819256.db2.gz ZTQRVXLPUGEVBO-UHFFFAOYSA-N 2 1 290.370 3.354 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CCCC1 ZINC000721620393 800298562 /nfs/dbraw/zinc/29/85/62/800298562.db2.gz QCENQZKIXAIWCW-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723670732 800336215 /nfs/dbraw/zinc/33/62/15/800336215.db2.gz JEJVRUVQTPGRQM-RYUDHWBXSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723674885 800336988 /nfs/dbraw/zinc/33/69/88/800336988.db2.gz GBPGDNJDSYRLTL-VXGBXAGGSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924572661 800626023 /nfs/dbraw/zinc/62/60/23/800626023.db2.gz SJLCNNXMMAXUBD-HJOIGYKYSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1ccccc1 ZINC000925713807 800632346 /nfs/dbraw/zinc/63/23/46/800632346.db2.gz UKXYYLBXOPXNPJ-MXAVVETBSA-N 2 1 284.806 3.369 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C1CCN(C)CC1 ZINC001256208302 806849071 /nfs/dbraw/zinc/84/90/71/806849071.db2.gz DOXMDCBZNVBXBX-GFCCVEGCSA-N 2 1 266.816 3.427 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CC3CC(C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556720 806915034 /nfs/dbraw/zinc/91/50/34/806915034.db2.gz GLPRJBAEYSFSCX-GWFLUQINSA-N 2 1 284.447 3.381 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001256558186 806915662 /nfs/dbraw/zinc/91/56/62/806915662.db2.gz JSMLETRBTWIEHD-UHFFFAOYSA-N 3 1 295.515 3.233 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001256558186 806915664 /nfs/dbraw/zinc/91/56/64/806915664.db2.gz JSMLETRBTWIEHD-UHFFFAOYSA-N 3 1 295.515 3.233 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256574506 806921154 /nfs/dbraw/zinc/92/11/54/806921154.db2.gz ATFSCIMEQPEUSQ-OAHLLOKOSA-N 2 1 252.446 3.370 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC001116293981 802326063 /nfs/dbraw/zinc/32/60/63/802326063.db2.gz NUFYGQBLVYZKAJ-WCXIOVBPSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001118180329 802533934 /nfs/dbraw/zinc/53/39/34/802533934.db2.gz HCGCBDOOQLBECJ-INIZCTEOSA-N 2 1 272.436 3.256 20 0 CGADMP CCS[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001120030684 802727181 /nfs/dbraw/zinc/72/71/81/802727181.db2.gz HBCUASLDTMQCBF-BMRXWSCTSA-N 2 1 282.497 3.266 20 0 CGADMP F[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895273 807000020 /nfs/dbraw/zinc/00/00/20/807000020.db2.gz TUWCRHMDBCFRFE-SQWLQELKSA-N 2 1 268.420 3.121 20 0 CGADMP F[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895273 807000023 /nfs/dbraw/zinc/00/00/23/807000023.db2.gz TUWCRHMDBCFRFE-SQWLQELKSA-N 2 1 268.420 3.121 20 0 CGADMP CCCCOCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901179 807002596 /nfs/dbraw/zinc/00/25/96/807002596.db2.gz DUBQBZHYJRNPRQ-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CCCCOCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901179 807002602 /nfs/dbraw/zinc/00/26/02/807002602.db2.gz DUBQBZHYJRNPRQ-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP C1CCC([N@@H+]2CCC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)C2)C1 ZINC001256899819 807003607 /nfs/dbraw/zinc/00/36/07/807003607.db2.gz IIKKPEZALWALJO-QSJFSLAZSA-N 2 1 262.441 3.172 20 0 CGADMP C1CCC([N@H+]2CCC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)C2)C1 ZINC001256899819 807003612 /nfs/dbraw/zinc/00/36/12/807003612.db2.gz IIKKPEZALWALJO-QSJFSLAZSA-N 2 1 262.441 3.172 20 0 CGADMP [NH3+]Cc1cccc2c1cnn2[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256902214 807005334 /nfs/dbraw/zinc/00/53/34/807005334.db2.gz RFMGYTTVIIWYNT-INIZCTEOSA-N 2 1 298.434 3.075 20 0 CGADMP [NH3+]Cc1ccc2cn([C@H]3CCC[N@H+](C4CCCC4)C3)nc2c1 ZINC001256906171 807006422 /nfs/dbraw/zinc/00/64/22/807006422.db2.gz XOLGNQRXFODPPG-KRWDZBQOSA-N 2 1 298.434 3.075 20 0 CGADMP FC(F)(F)CCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256905884 807006485 /nfs/dbraw/zinc/00/64/85/807006485.db2.gz VNFJVVQKQLVHOJ-GFCCVEGCSA-N 2 1 278.362 3.326 20 0 CGADMP FC(F)(F)CCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256905884 807006493 /nfs/dbraw/zinc/00/64/93/807006493.db2.gz VNFJVVQKQLVHOJ-GFCCVEGCSA-N 2 1 278.362 3.326 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC001256907487 807006821 /nfs/dbraw/zinc/00/68/21/807006821.db2.gz CKCXYHZJEZRRPT-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1CCC1 ZINC001256907487 807006829 /nfs/dbraw/zinc/00/68/29/807006829.db2.gz CKCXYHZJEZRRPT-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001205280509 812928575 /nfs/dbraw/zinc/92/85/75/812928575.db2.gz AYUYIFVJSIGYHR-GOSISDBHSA-N 2 1 283.419 3.181 20 0 CGADMP Fc1cc(C2=C[NH2+]CCC2)cc(F)c1C[NH+]1CCCC1 ZINC001243952477 803097272 /nfs/dbraw/zinc/09/72/72/803097272.db2.gz QTXZTGTZJWQKRV-UHFFFAOYSA-N 2 1 278.346 3.285 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206811890 813442792 /nfs/dbraw/zinc/44/27/92/813442792.db2.gz WOZVGGNYGAUDMM-HOTGVXAUSA-N 2 1 290.451 3.341 20 0 CGADMP Oc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)c2ccccc12 ZINC001138063792 803844821 /nfs/dbraw/zinc/84/48/21/803844821.db2.gz HTMOHONJEHTVEI-UHFFFAOYSA-N 2 1 296.414 3.216 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC(C)(C)C2)cc1 ZINC001138547780 803963274 /nfs/dbraw/zinc/96/32/74/803963274.db2.gz VDXXMGPCEJLUCA-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC(C)(C)C2)cc1 ZINC001138547780 803963281 /nfs/dbraw/zinc/96/32/81/803963281.db2.gz VDXXMGPCEJLUCA-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2cccc(F)c2)C[C@@H](CC)[NH2+]1 ZINC001246071999 804110006 /nfs/dbraw/zinc/11/00/06/804110006.db2.gz NMRBQCZFLHJTGW-HUUCEWRRSA-N 2 1 264.388 3.225 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246072025 804111019 /nfs/dbraw/zinc/11/10/19/804111019.db2.gz OEEQRYXOSIEWBS-RTBURBONSA-N 2 1 298.405 3.279 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2ccccc2F)C[C@@H](CC)[NH2+]1 ZINC001246073309 804111931 /nfs/dbraw/zinc/11/19/31/804111931.db2.gz XCJWXZSPIUCFDW-ZIAGYGMSSA-N 2 1 264.388 3.225 20 0 CGADMP CC1(C)C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246074780 804114743 /nfs/dbraw/zinc/11/47/43/804114743.db2.gz FMAZVMPIGSYLBE-CQSZACIVSA-N 2 1 278.827 3.449 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)c(Cl)cc1Cl ZINC001246077129 804115832 /nfs/dbraw/zinc/11/58/32/804115832.db2.gz QSPQDLKMLDDGSV-JTQLQIEISA-N 2 1 291.197 3.364 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246093810 804125505 /nfs/dbraw/zinc/12/55/05/804125505.db2.gz YBFGIMHZWDPXEV-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246094879 804126616 /nfs/dbraw/zinc/12/66/16/804126616.db2.gz GRUCNWRIZHZHQD-PMPSAXMXSA-N 2 1 264.457 3.467 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246099711 804132322 /nfs/dbraw/zinc/13/23/22/804132322.db2.gz YNSKCYOGROJVCY-HZMBPMFUSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246102297 804134729 /nfs/dbraw/zinc/13/47/29/804134729.db2.gz CNNPBOQGRWNZJO-XJKCOSOUSA-N 2 1 280.843 3.249 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+](C)C1CC[NH+](C)CC1 ZINC001139151557 804139108 /nfs/dbraw/zinc/13/91/08/804139108.db2.gz FRPPAZBBKPHAGY-UHFFFAOYSA-N 2 1 285.435 3.187 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001139151557 804139112 /nfs/dbraw/zinc/13/91/12/804139112.db2.gz FRPPAZBBKPHAGY-UHFFFAOYSA-N 2 1 285.435 3.187 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246112900 804144717 /nfs/dbraw/zinc/14/47/17/804144717.db2.gz VDOFYEBUCFYFAV-ZIAGYGMSSA-N 2 1 296.480 3.412 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C[C@]2(F)CCCC[NH2+]C2)C1 ZINC001246116165 804148038 /nfs/dbraw/zinc/14/80/38/804148038.db2.gz VBPSDECQVMIDIJ-ZFWWWQNUSA-N 2 1 256.409 3.027 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)C2 ZINC001246132770 804158040 /nfs/dbraw/zinc/15/80/40/804158040.db2.gz HSRTUVINCDXXAO-IXDOHACOSA-N 2 1 290.838 3.072 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC001246156956 804172533 /nfs/dbraw/zinc/17/25/33/804172533.db2.gz DJBDZZDDPHLPMH-WFASDCNBSA-N 2 1 284.806 3.345 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)NC[C@]1(F)CCC[NH2+]C1 ZINC001246168593 804182821 /nfs/dbraw/zinc/18/28/21/804182821.db2.gz DYJMOCSABNNIEU-ROUUACIJSA-N 2 1 292.442 3.469 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246168593 804182825 /nfs/dbraw/zinc/18/28/25/804182825.db2.gz DYJMOCSABNNIEU-ROUUACIJSA-N 2 1 292.442 3.469 20 0 CGADMP C[C@H](C[NH3+])[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246198325 804205690 /nfs/dbraw/zinc/20/56/90/804205690.db2.gz FMCLPAXIXZDLHG-NUYPLMSZSA-N 2 1 266.816 3.303 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCSCc2ccccc2Cl)CN1 ZINC001246205492 804207290 /nfs/dbraw/zinc/20/72/90/804207290.db2.gz ULYODTBLOBCVEM-GXTWGEPZSA-N 2 1 298.883 3.303 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCSCc2ccccc2Cl)C[NH2+]1 ZINC001246205492 804207299 /nfs/dbraw/zinc/20/72/99/804207299.db2.gz ULYODTBLOBCVEM-GXTWGEPZSA-N 2 1 298.883 3.303 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246210175 804208035 /nfs/dbraw/zinc/20/80/35/804208035.db2.gz CJRTXZYJYJFSKA-ZWKOTPCHSA-N 3 1 297.531 3.399 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246220546 804214552 /nfs/dbraw/zinc/21/45/52/804214552.db2.gz LHXOSXUHMYNNST-CVEARBPZSA-N 2 1 296.405 3.232 20 0 CGADMP CCC1CCC([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)CC1 ZINC001246220026 804215179 /nfs/dbraw/zinc/21/51/79/804215179.db2.gz IQVQRNUQMZJFIV-JXQTWKCFSA-N 2 1 274.399 3.180 20 0 CGADMP COc1cc(F)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246262055 804244389 /nfs/dbraw/zinc/24/43/89/804244389.db2.gz HKTMANWHPHHUIG-GDBMZVCRSA-N 2 1 294.414 3.091 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])Cc2ccccc2)CC(C)(C)C1 ZINC001246269350 804247722 /nfs/dbraw/zinc/24/77/22/804247722.db2.gz RICZQZQYXUKAIP-DJIMGWMZSA-N 2 1 274.452 3.361 20 0 CGADMP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246274479 804251524 /nfs/dbraw/zinc/25/15/24/804251524.db2.gz UYKRIQNMITUQHH-RRFJBIMHSA-N 2 1 268.445 3.035 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+][C@H](c1ccccc1F)C1CCC1 ZINC001246284178 804259293 /nfs/dbraw/zinc/25/92/93/804259293.db2.gz ZNUYATFNXRXBQZ-WBMJQRKESA-N 2 1 264.388 3.255 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1(C[NH3+])CCCC1 ZINC001246285203 804259532 /nfs/dbraw/zinc/25/95/32/804259532.db2.gz FZTWYHMDRLOVRW-LLVKDONJSA-N 2 1 284.806 3.271 20 0 CGADMP c1ccc([C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C2CCC2)cc1 ZINC001246286969 804260531 /nfs/dbraw/zinc/26/05/31/804260531.db2.gz JBMCMQNHPOHJRG-DLBZAZTESA-N 2 1 258.409 3.260 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C1(C[NH3+])CCCC1 ZINC001246287235 804260835 /nfs/dbraw/zinc/26/08/35/804260835.db2.gz NVJDMZGIAXCJJH-GFCCVEGCSA-N 2 1 266.816 3.132 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001246300703 804265732 /nfs/dbraw/zinc/26/57/32/804265732.db2.gz UIWIWKPQQFSJQR-HOTGVXAUSA-N 2 1 260.425 3.115 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299343 804265825 /nfs/dbraw/zinc/26/58/25/804265825.db2.gz JJDRTSMAAMAZMD-XIRDDKMYSA-N 2 1 262.441 3.361 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246327929 804283770 /nfs/dbraw/zinc/28/37/70/804283770.db2.gz VGANSJSPKUHJGM-DDBAPUKQSA-N 2 1 272.436 3.443 20 0 CGADMP CCCCCCOC(=O)CCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246338902 804292973 /nfs/dbraw/zinc/29/29/73/804292973.db2.gz DEOBWSKTXFQBFS-MRXNPFEDSA-N 2 1 298.471 3.012 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2ccc(OC)cc2F)C[C@H](CC)[NH2+]1 ZINC001246355249 804301419 /nfs/dbraw/zinc/30/14/19/804301419.db2.gz YSBOUVMGDHVRLB-KBPBESRZSA-N 2 1 294.414 3.233 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2cccc(OC)c2F)C[C@H](CC)[NH2+]1 ZINC001246355970 804302429 /nfs/dbraw/zinc/30/24/29/804302429.db2.gz RAGKIFSRTANLSG-KBPBESRZSA-N 2 1 294.414 3.233 20 0 CGADMP CCc1cc2c(cc1CC)CC([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246377226 804311026 /nfs/dbraw/zinc/31/10/26/804311026.db2.gz FOIAULFBPGXPDG-UGSOOPFHSA-N 2 1 286.463 3.009 20 0 CGADMP Cc1ccc(CC(C)(C)C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246382808 804313106 /nfs/dbraw/zinc/31/31/06/804313106.db2.gz FXDYRQUSCYEZIO-DOTOQJQBSA-N 2 1 274.452 3.294 20 0 CGADMP FC1(F)CCC(CC2CCC2)([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246407011 804323122 /nfs/dbraw/zinc/32/31/22/804323122.db2.gz RBGAIQLVKLZJLC-CQSZACIVSA-N 2 1 286.410 3.466 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[NH2+]C3(C[NH3+])CC3)ccc2c1 ZINC001246444536 804333136 /nfs/dbraw/zinc/33/31/36/804333136.db2.gz CLNRQYOLBOABAO-AWEZNQCLSA-N 2 1 298.430 3.250 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[NH2+]1 ZINC001246486593 804356434 /nfs/dbraw/zinc/35/64/34/804356434.db2.gz COUPTIQGVJHWDC-XZJROXQQSA-N 2 1 294.389 3.318 20 0 CGADMP CNc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246505011 804365907 /nfs/dbraw/zinc/36/59/07/804365907.db2.gz KBWGURONKFCURK-RBUKOAKNSA-N 2 1 295.430 3.311 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1c(F)cccc1Cl ZINC001246507711 804365999 /nfs/dbraw/zinc/36/59/99/804365999.db2.gz ZCMIHFIQURIZAL-RYUDHWBXSA-N 2 1 286.822 3.373 20 0 CGADMP CCC[N@@H+](CC1CC1)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246531073 804384112 /nfs/dbraw/zinc/38/41/12/804384112.db2.gz MLPJZSZSDSEBNW-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001246537370 804385720 /nfs/dbraw/zinc/38/57/20/804385720.db2.gz VZEHVNFPZQTRGX-KGLIPLIRSA-N 2 1 296.480 3.493 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538467 804387148 /nfs/dbraw/zinc/38/71/48/804387148.db2.gz CEKALLUNCBAGMU-RYUDHWBXSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538467 804387154 /nfs/dbraw/zinc/38/71/54/804387154.db2.gz CEKALLUNCBAGMU-RYUDHWBXSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246538886 804389359 /nfs/dbraw/zinc/38/93/59/804389359.db2.gz QKWCOWXGBSMPKX-SCRDCRAPSA-N 2 1 282.428 3.118 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246538886 804389365 /nfs/dbraw/zinc/38/93/65/804389365.db2.gz QKWCOWXGBSMPKX-SCRDCRAPSA-N 2 1 282.428 3.118 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001246546825 804396192 /nfs/dbraw/zinc/39/61/92/804396192.db2.gz APYRDFQRFURXFQ-PBHICJAKSA-N 2 1 294.389 3.025 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246549583 804398718 /nfs/dbraw/zinc/39/87/18/804398718.db2.gz JDYDVICPUOTEKT-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1cccc2c1CC[N@H+]([C@H]1CC[NH2+][C@@H](C(C)C)C1)C2 ZINC001246549511 804399629 /nfs/dbraw/zinc/39/96/29/804399629.db2.gz SJQWNVVMZAFKSM-FUHWJXTLSA-N 2 1 272.436 3.130 20 0 CGADMP CC(C)OC1CCC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246557363 804405697 /nfs/dbraw/zinc/40/56/97/804405697.db2.gz KXOCBVGCNAILEH-NUWOQIAWSA-N 2 1 282.472 3.029 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@](C)([NH3+])CC1)CC2 ZINC001246556430 804406689 /nfs/dbraw/zinc/40/66/89/804406689.db2.gz ZSTZYTVLDRBHCA-MSOLQXFVSA-N 2 1 272.436 3.056 20 0 CGADMP C[N@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246558857 804407779 /nfs/dbraw/zinc/40/77/79/804407779.db2.gz ABRIFYNPCWXRQX-JKSUJKDBSA-N 2 1 278.415 3.424 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246558857 804407785 /nfs/dbraw/zinc/40/77/85/804407785.db2.gz ABRIFYNPCWXRQX-JKSUJKDBSA-N 2 1 278.415 3.424 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246558317 804408423 /nfs/dbraw/zinc/40/84/23/804408423.db2.gz KYMNNIBAKCDCSG-BCDXTJNWSA-N 2 1 272.436 3.143 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246560351 804409277 /nfs/dbraw/zinc/40/92/77/804409277.db2.gz CWLLRMKFFAVORQ-MBNYWOFBSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246560362 804409707 /nfs/dbraw/zinc/40/97/07/804409707.db2.gz CXHWZQIWGISOPQ-YUELXQCFSA-N 2 1 292.854 3.257 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC3(CCOCC3)CC2)CCC[C@H]1C[NH3+] ZINC001246560396 804409745 /nfs/dbraw/zinc/40/97/45/804409745.db2.gz FYWWITANCJHWPX-CVEARBPZSA-N 2 1 294.483 3.033 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246560583 804409984 /nfs/dbraw/zinc/40/99/84/804409984.db2.gz HQWGNWZWUQLOLD-DAXOMENPSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246562115 804411682 /nfs/dbraw/zinc/41/16/82/804411682.db2.gz VUQKPPWLPHOPMD-YCPHGPKFSA-N 2 1 278.415 3.064 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CCC[C@@H]1C[NH3+] ZINC001246563843 804413209 /nfs/dbraw/zinc/41/32/09/804413209.db2.gz VGPJWYVLMDGCIU-SUYBPPKGSA-N 2 1 292.854 3.114 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246563821 804413551 /nfs/dbraw/zinc/41/35/51/804413551.db2.gz UYSSKCKIRZZVOC-CVEARBPZSA-N 2 1 276.399 3.493 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246563824 804414111 /nfs/dbraw/zinc/41/41/11/804414111.db2.gz UYSSKCKIRZZVOC-HZPDHXFCSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H]1C[N@H+](C2CCC(C)(C)CC2)CCC[C@@H]1C[NH3+] ZINC001246567690 804414922 /nfs/dbraw/zinc/41/49/22/804414922.db2.gz MMRXEUKFMRNEIV-UONOGXRCSA-N 2 1 252.446 3.262 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246568083 804415593 /nfs/dbraw/zinc/41/55/93/804415593.db2.gz PUWIADWEFOJGSY-APIJFGDWSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568409 804415637 /nfs/dbraw/zinc/41/56/37/804415637.db2.gz SDUDTTGXFHKUOG-UMVBOHGHSA-N 2 1 296.480 3.349 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CCC[C@H]1C[NH3+] ZINC001246570154 804416909 /nfs/dbraw/zinc/41/69/09/804416909.db2.gz SYWWZRLGBBUWDX-SNPRPXQTSA-N 2 1 292.854 3.114 20 0 CGADMP C1CC2(C[NH2+]1)CCC([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)CC2 ZINC001246568760 804417864 /nfs/dbraw/zinc/41/78/64/804417864.db2.gz AUZWMIHDFOSZOL-RYTJFDOTSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@]1(F)CCCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246571634 804419038 /nfs/dbraw/zinc/41/90/38/804419038.db2.gz FARMXKGETCPWRW-HRCADAONSA-N 2 1 268.420 3.123 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCC3(CC3)CC2)CC1 ZINC001246573090 804421356 /nfs/dbraw/zinc/42/13/56/804421356.db2.gz FOEOAOXXKIGYMT-OAHLLOKOSA-N 2 1 250.430 3.160 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246580334 804426148 /nfs/dbraw/zinc/42/61/48/804426148.db2.gz DBAFZXHOBMZLOT-ZNMIVQPWSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246580334 804426152 /nfs/dbraw/zinc/42/61/52/804426152.db2.gz DBAFZXHOBMZLOT-ZNMIVQPWSA-N 2 1 258.425 3.497 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246589246 804432230 /nfs/dbraw/zinc/43/22/30/804432230.db2.gz DQBUBSFWKMAULB-KURKYZTESA-N 3 1 295.515 3.150 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246589246 804432232 /nfs/dbraw/zinc/43/22/32/804432232.db2.gz DQBUBSFWKMAULB-KURKYZTESA-N 3 1 295.515 3.150 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)CC[C@H]1F ZINC001246591900 804433840 /nfs/dbraw/zinc/43/38/40/804433840.db2.gz VNYKOHTXMOWMSF-BSDSXHPESA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)CC[C@H]1F ZINC001246591900 804433846 /nfs/dbraw/zinc/43/38/46/804433846.db2.gz VNYKOHTXMOWMSF-BSDSXHPESA-N 2 1 290.426 3.474 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246596148 804436430 /nfs/dbraw/zinc/43/64/30/804436430.db2.gz PBRHLVNEAOTPGN-KRWDZBQOSA-N 2 1 295.515 3.153 20 0 CGADMP CCC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246600967 804438563 /nfs/dbraw/zinc/43/85/63/804438563.db2.gz FOJOBIMAAFCSOZ-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246600258 804438860 /nfs/dbraw/zinc/43/88/60/804438860.db2.gz DOZUUJQCTYWJLC-QFBILLFUSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246602047 804440142 /nfs/dbraw/zinc/44/01/42/804440142.db2.gz BUYKVSDVNNHPLH-MAUKXSAKSA-N 2 1 290.426 3.365 20 0 CGADMP CCSC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246602129 804440289 /nfs/dbraw/zinc/44/02/89/804440289.db2.gz KDXHFWOBNCHASN-JKSUJKDBSA-N 2 1 284.513 3.374 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C1 ZINC001246607244 804441262 /nfs/dbraw/zinc/44/12/62/804441262.db2.gz OXHUUYZPOGGSDH-OWCLPIDISA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C[C@@H](C)C1 ZINC001246606252 804441417 /nfs/dbraw/zinc/44/14/17/804441417.db2.gz DJDFKLRVHHASLF-JJXSEGSLSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246609334 804442542 /nfs/dbraw/zinc/44/25/42/804442542.db2.gz MLXMWCLTPCRGJV-MSOLQXFVSA-N 2 1 296.499 3.436 20 0 CGADMP c1ccc2c(c1)CCC([N@@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246612070 804446346 /nfs/dbraw/zinc/44/63/46/804446346.db2.gz WRLCDSAZPSORBL-LJQANCHMSA-N 2 1 284.447 3.152 20 0 CGADMP C1CC2(CCCCC2)[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246613535 804447338 /nfs/dbraw/zinc/44/73/38/804447338.db2.gz LKGUXUFVJAKACT-JKSUJKDBSA-N 2 1 262.441 3.317 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246611991 804447421 /nfs/dbraw/zinc/44/74/21/804447421.db2.gz VXWWPJWRDOIRPJ-HOTGVXAUSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246614237 804448764 /nfs/dbraw/zinc/44/87/64/804448764.db2.gz NEOBXJADHNCAFP-IAGOWNOFSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)COCC[C@@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246614237 804448770 /nfs/dbraw/zinc/44/87/70/804448770.db2.gz NEOBXJADHNCAFP-IAGOWNOFSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1CCC[C@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246614374 804449076 /nfs/dbraw/zinc/44/90/76/804449076.db2.gz SKDPMNBWEDPPKA-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246616296 804449805 /nfs/dbraw/zinc/44/98/05/804449805.db2.gz GXWIWDSOUSYWLI-YOEHRIQHSA-N 2 1 292.854 3.489 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246616296 804449808 /nfs/dbraw/zinc/44/98/08/804449808.db2.gz GXWIWDSOUSYWLI-YOEHRIQHSA-N 2 1 292.854 3.489 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246620493 804453893 /nfs/dbraw/zinc/45/38/93/804453893.db2.gz JUWKKGPEGWPJQD-QFBILLFUSA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246620493 804453897 /nfs/dbraw/zinc/45/38/97/804453897.db2.gz JUWKKGPEGWPJQD-QFBILLFUSA-N 2 1 286.463 3.398 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246619927 804454051 /nfs/dbraw/zinc/45/40/51/804454051.db2.gz MTUNAJWKGPXHJE-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246620492 804454117 /nfs/dbraw/zinc/45/41/17/804454117.db2.gz JUWKKGPEGWPJQD-LPHOPBHVSA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001246620492 804454120 /nfs/dbraw/zinc/45/41/20/804454120.db2.gz JUWKKGPEGWPJQD-LPHOPBHVSA-N 2 1 286.463 3.398 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246622896 804454926 /nfs/dbraw/zinc/45/49/26/804454926.db2.gz KKYQHDIRXCIULP-MHORFTMASA-N 2 1 296.458 3.110 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246623714 804455725 /nfs/dbraw/zinc/45/57/25/804455725.db2.gz MODBZJNEQPQALO-IPMKNSEASA-N 2 1 286.463 3.328 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001246625539 804456963 /nfs/dbraw/zinc/45/69/63/804456963.db2.gz WKTUQBJDFNMGMZ-HTWSVDAQSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001246625539 804456970 /nfs/dbraw/zinc/45/69/70/804456970.db2.gz WKTUQBJDFNMGMZ-HTWSVDAQSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246625555 804457185 /nfs/dbraw/zinc/45/71/85/804457185.db2.gz WRCSQTQKCJRSLZ-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246625023 804457608 /nfs/dbraw/zinc/45/76/08/804457608.db2.gz QSJPGBPGQDKSIT-NJAFHUGGSA-N 2 1 284.447 3.254 20 0 CGADMP CCCCCC[C@H](CCCC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246628377 804458335 /nfs/dbraw/zinc/45/83/35/804458335.db2.gz LEAKCUSFSGSCOB-ROUUACIJSA-N 2 1 295.515 3.153 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246628863 804461091 /nfs/dbraw/zinc/46/10/91/804461091.db2.gz FBRRQRBWYWWZLK-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+]1CCC2(C[NH+](Cc3cccc(F)c3Cl)C2)CC1 ZINC001140567816 804461814 /nfs/dbraw/zinc/46/18/14/804461814.db2.gz JOVRLUXHXHANPL-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246631766 804462019 /nfs/dbraw/zinc/46/20/19/804462019.db2.gz RWTHUTNHLULPOK-QRVBRYPASA-N 2 1 284.447 3.398 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632202 804462432 /nfs/dbraw/zinc/46/24/32/804462432.db2.gz UYLGOAUAKZLBHY-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246633321 804463647 /nfs/dbraw/zinc/46/36/47/804463647.db2.gz CDBRUZKPDAHDDL-UUKMXZOPSA-N 2 1 296.458 3.251 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246633321 804463651 /nfs/dbraw/zinc/46/36/51/804463651.db2.gz CDBRUZKPDAHDDL-UUKMXZOPSA-N 2 1 296.458 3.251 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633402 804464213 /nfs/dbraw/zinc/46/42/13/804464213.db2.gz DVJRBCGVOWKONX-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633402 804464214 /nfs/dbraw/zinc/46/42/14/804464214.db2.gz DVJRBCGVOWKONX-MSOLQXFVSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246636802 804465630 /nfs/dbraw/zinc/46/56/30/804465630.db2.gz WZDCZKZOLLCSPO-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637753 804466162 /nfs/dbraw/zinc/46/61/62/804466162.db2.gz JEWOWCHNVYRROY-KZNAEPCWSA-N 2 1 272.436 3.224 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637753 804466166 /nfs/dbraw/zinc/46/61/66/804466166.db2.gz JEWOWCHNVYRROY-KZNAEPCWSA-N 2 1 272.436 3.224 20 0 CGADMP C1C[C@@]2(CC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C2)[NH2+]1 ZINC001246638445 804467279 /nfs/dbraw/zinc/46/72/79/804467279.db2.gz SFLHXXXSUMJFRY-RDJZCZTQSA-N 2 1 262.441 3.317 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246643086 804470660 /nfs/dbraw/zinc/47/06/60/804470660.db2.gz QEIZARIIUZCVEZ-SFHVURJKSA-N 2 1 286.463 3.472 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001246644976 804472455 /nfs/dbraw/zinc/47/24/55/804472455.db2.gz ZUBBCMIZMOQXAS-OAHLLOKOSA-N 2 1 290.476 3.304 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246646348 804473336 /nfs/dbraw/zinc/47/33/36/804473336.db2.gz YPRIIOQYRZQRSW-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246646348 804473340 /nfs/dbraw/zinc/47/33/40/804473340.db2.gz YPRIIOQYRZQRSW-QZTJIDSGSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246646350 804474184 /nfs/dbraw/zinc/47/41/84/804474184.db2.gz YPRIIOQYRZQRSW-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246646350 804474186 /nfs/dbraw/zinc/47/41/86/804474186.db2.gz YPRIIOQYRZQRSW-ZWKOTPCHSA-N 2 1 272.436 3.226 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647695 804474824 /nfs/dbraw/zinc/47/48/24/804474824.db2.gz MNJYBAKAHQOFED-CEXWTWQISA-N 2 1 286.463 3.185 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246648023 804475988 /nfs/dbraw/zinc/47/59/88/804475988.db2.gz JYRGXANJFQKROF-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246648023 804475991 /nfs/dbraw/zinc/47/59/91/804475991.db2.gz JYRGXANJFQKROF-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP CCCC1CCC([NH+]2CCC3(CC[NH2+]3)CC2)CC1 ZINC001246649015 804476782 /nfs/dbraw/zinc/47/67/82/804476782.db2.gz ODROOZGHPNOQSM-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001246654731 804481091 /nfs/dbraw/zinc/48/10/91/804481091.db2.gz NNDUSUDOUMGLDD-INIZCTEOSA-N 2 1 272.436 3.144 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)C1 ZINC001246663001 804485621 /nfs/dbraw/zinc/48/56/21/804485621.db2.gz WQJXLTMGCZYMBA-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246664180 804486799 /nfs/dbraw/zinc/48/67/99/804486799.db2.gz FDCIRMBBDPBMJN-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246664180 804486802 /nfs/dbraw/zinc/48/68/02/804486802.db2.gz FDCIRMBBDPBMJN-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP C1CC2(C1)C[C@@H]([NH+]1CCC3(CCCC3)CC1)CC[NH2+]2 ZINC001246664305 804487288 /nfs/dbraw/zinc/48/72/88/804487288.db2.gz YLWKPANKPYTSMT-HNNXBMFYSA-N 2 1 262.441 3.317 20 0 CGADMP C1[NH2+]CC1[C@H]1CC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246671396 804489343 /nfs/dbraw/zinc/48/93/43/804489343.db2.gz BKVAKXSITPSVAC-HNNXBMFYSA-N 2 1 276.468 3.421 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001246677648 804491322 /nfs/dbraw/zinc/49/13/22/804491322.db2.gz KQRQPMDDXUCNND-HNNXBMFYSA-N 2 1 292.492 3.407 20 0 CGADMP C1[C@H]2C[NH2+]CC[C@H]2[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246678739 804492537 /nfs/dbraw/zinc/49/25/37/804492537.db2.gz YLRAJXKEDHBTAP-OWCLPIDISA-N 2 1 262.441 3.173 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246678603 804493059 /nfs/dbraw/zinc/49/30/59/804493059.db2.gz YEIXKJNCVZPCNP-JEVOJNTISA-N 2 1 284.447 3.082 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246681687 804494361 /nfs/dbraw/zinc/49/43/61/804494361.db2.gz PPNRSRYYKNYQHY-CYBMUJFWSA-N 2 1 280.843 3.202 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246679255 804494597 /nfs/dbraw/zinc/49/45/97/804494597.db2.gz SAEKADAWQQETQS-OAGGEKHMSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246682142 804495368 /nfs/dbraw/zinc/49/53/68/804495368.db2.gz SRFAWAMOCVJPNS-UXLLHSPISA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246682142 804495371 /nfs/dbraw/zinc/49/53/71/804495371.db2.gz SRFAWAMOCVJPNS-UXLLHSPISA-N 2 1 258.409 3.272 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC001246684880 804495906 /nfs/dbraw/zinc/49/59/06/804495906.db2.gz XZRILYUIJPVRLY-LSDHHAIUSA-N 2 1 278.465 3.417 20 0 CGADMP CCCC[C@H]1C[C@H]([N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC001246684880 804495911 /nfs/dbraw/zinc/49/59/11/804495911.db2.gz XZRILYUIJPVRLY-LSDHHAIUSA-N 2 1 278.465 3.417 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246767935 804501396 /nfs/dbraw/zinc/50/13/96/804501396.db2.gz DJLISHBJDAFMMI-RBSFLKMASA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccccc1C[N@H+](C)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246770706 804502864 /nfs/dbraw/zinc/50/28/64/804502864.db2.gz RKTKSICMDNQDHE-DLBZAZTESA-N 2 1 260.425 3.203 20 0 CGADMP C[N@@H+](CCCc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246774172 804504364 /nfs/dbraw/zinc/50/43/64/804504364.db2.gz DMOPBRSYPIARGT-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246771287 804505080 /nfs/dbraw/zinc/50/50/80/804505080.db2.gz XWIZBVUERVJOOD-WBVHZDCISA-N 2 1 260.425 3.429 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246777727 804506846 /nfs/dbraw/zinc/50/68/46/804506846.db2.gz TVJIHWRNISZOIY-ZWKOTPCHSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246780413 804507549 /nfs/dbraw/zinc/50/75/49/804507549.db2.gz VNIQRLBQJGXXMA-DJIMGWMZSA-N 2 1 258.409 3.007 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2cccs2)CC[NH2+]1 ZINC001246780338 804508627 /nfs/dbraw/zinc/50/86/27/804508627.db2.gz BXXSUUUZYWKVRW-KGLIPLIRSA-N 2 1 266.454 3.491 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccs2)CC[NH2+]1 ZINC001246780338 804508629 /nfs/dbraw/zinc/50/86/29/804508629.db2.gz BXXSUUUZYWKVRW-KGLIPLIRSA-N 2 1 266.454 3.491 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246787896 804511903 /nfs/dbraw/zinc/51/19/03/804511903.db2.gz FNIRZAKUCQBOEP-HUUCEWRRSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@@H](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246791847 804515200 /nfs/dbraw/zinc/51/52/00/804515200.db2.gz MUFXNWDEBBQAQG-INMHGKMJSA-N 2 1 272.436 3.080 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001246793280 804516870 /nfs/dbraw/zinc/51/68/70/804516870.db2.gz UPEFTADFMQPAJV-MRXNPFEDSA-N 2 1 272.436 3.002 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794107 804516934 /nfs/dbraw/zinc/51/69/34/804516934.db2.gz YXVXAJVWDIMWHZ-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246795505 804517088 /nfs/dbraw/zinc/51/70/88/804517088.db2.gz FLFISQUZHUYMBC-GOSISDBHSA-N 2 1 274.452 3.472 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246795188 804517286 /nfs/dbraw/zinc/51/72/86/804517286.db2.gz IMZVNFHANUERLZ-OAHLLOKOSA-N 2 1 278.827 3.447 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001246794737 804517351 /nfs/dbraw/zinc/51/73/51/804517351.db2.gz GXZLKHHIZKOOLO-KRWDZBQOSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+](CC(C)(C)C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246797975 804519557 /nfs/dbraw/zinc/51/95/57/804519557.db2.gz MGDASJNRNXHAEH-HOTGVXAUSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246797975 804519559 /nfs/dbraw/zinc/51/95/59/804519559.db2.gz MGDASJNRNXHAEH-HOTGVXAUSA-N 2 1 260.425 3.458 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246798438 804519770 /nfs/dbraw/zinc/51/97/70/804519770.db2.gz UGRKVJHNXNIPMN-QGZVFWFLSA-N 2 1 292.854 3.271 20 0 CGADMP CCCCCC1CCC([N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC001246800437 804522118 /nfs/dbraw/zinc/52/21/18/804522118.db2.gz ZPEZVYALIQLCGP-PCKAHOCUSA-N 2 1 252.446 3.406 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001140806037 804523334 /nfs/dbraw/zinc/52/33/34/804523334.db2.gz UXHQWSSKYNZMOZ-GOSISDBHSA-N 2 1 299.418 3.344 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001140806037 804523340 /nfs/dbraw/zinc/52/33/40/804523340.db2.gz UXHQWSSKYNZMOZ-GOSISDBHSA-N 2 1 299.418 3.344 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2[C@H](C)CC[NH2+]C)cc1 ZINC001246824077 804536694 /nfs/dbraw/zinc/53/66/94/804536694.db2.gz PIBUGZHQKIGJKN-PBHICJAKSA-N 2 1 276.424 3.220 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828124 804538913 /nfs/dbraw/zinc/53/89/13/804538913.db2.gz XMBSRPNCFSLDQW-RNJOBUHISA-N 2 1 280.378 3.413 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828124 804538916 /nfs/dbraw/zinc/53/89/16/804538916.db2.gz XMBSRPNCFSLDQW-RNJOBUHISA-N 2 1 280.378 3.413 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246833820 804542114 /nfs/dbraw/zinc/54/21/14/804542114.db2.gz HARSHQWJZQIOTG-SOUVJXGZSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246834828 804542580 /nfs/dbraw/zinc/54/25/80/804542580.db2.gz HGMFZTZLBCUGSK-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP CCCC1CCC([N@@H+](CCCOC)C2CC[NH2+]CC2)CC1 ZINC001246834807 804542903 /nfs/dbraw/zinc/54/29/03/804542903.db2.gz HCCJXBMBEREOGO-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP CCCCC[C@@H](C)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835592 804544256 /nfs/dbraw/zinc/54/42/56/804544256.db2.gz JOHMPNLBANXXMK-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246842632 804549832 /nfs/dbraw/zinc/54/98/32/804549832.db2.gz UIYRZHUHAVOQFM-ATLSCFEFSA-N 2 1 272.436 3.458 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246842632 804549836 /nfs/dbraw/zinc/54/98/36/804549836.db2.gz UIYRZHUHAVOQFM-ATLSCFEFSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246840711 804550911 /nfs/dbraw/zinc/55/09/11/804550911.db2.gz JKFHBBFUZAKUJX-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+](Cc1ccccc1F)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246847556 804555489 /nfs/dbraw/zinc/55/54/89/804555489.db2.gz UGAULSTWRBFHLU-CQSZACIVSA-N 2 1 264.388 3.178 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246847556 804555493 /nfs/dbraw/zinc/55/54/93/804555493.db2.gz UGAULSTWRBFHLU-CQSZACIVSA-N 2 1 264.388 3.178 20 0 CGADMP C1[NH2+]CC12CC[C@H]([N@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001246847198 804555525 /nfs/dbraw/zinc/55/55/25/804555525.db2.gz JMFRTSTWOFASLO-CVEARBPZSA-N 2 1 262.441 3.031 20 0 CGADMP Clc1cccc2c1CC[N@H+](C1CCC3(C[NH2+]C3)CC1)C2 ZINC001246847655 804557471 /nfs/dbraw/zinc/55/74/71/804557471.db2.gz JYVZIFXXCXVREN-UHFFFAOYSA-N 2 1 290.838 3.230 20 0 CGADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246848605 804558782 /nfs/dbraw/zinc/55/87/82/804558782.db2.gz XAWCPOZWUNBZFI-BRWVUGGUSA-N 2 1 294.483 3.392 20 0 CGADMP C[N@@H+](C1CCC(C(C)(C)C)CC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246854998 804564221 /nfs/dbraw/zinc/56/42/21/804564221.db2.gz SJZQWMMKYHBOKB-GPANFISMSA-N 2 1 294.483 3.044 20 0 CGADMP CC1(C)C[C@H]([N@@H+]2CC=C(c3ccccc3)CC2)CC[NH2+]1 ZINC001246859320 804565579 /nfs/dbraw/zinc/56/55/79/804565579.db2.gz NDJFZDYJYHGHBX-QGZVFWFLSA-N 2 1 270.420 3.306 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867556 804570458 /nfs/dbraw/zinc/57/04/58/804570458.db2.gz OYEZTMJOKFCJGD-FHWLQOOXSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2ccc(OC)cc2)CC[NH2+]1 ZINC001246879429 804576594 /nfs/dbraw/zinc/57/65/94/804576594.db2.gz NMYLGSBTJIPJRO-HOTGVXAUSA-N 2 1 276.424 3.048 20 0 CGADMP Fc1ccc2c(c1)CC[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246883588 804579224 /nfs/dbraw/zinc/57/92/24/804579224.db2.gz XBKCAPYKKWIAQP-ROUUACIJSA-N 2 1 288.410 3.106 20 0 CGADMP c1ccc(C[C@H]2C[C@@H]([NH+]3CC4CCC(CC4)C3)CC[NH2+]2)cc1 ZINC001246886213 804581980 /nfs/dbraw/zinc/58/19/80/804581980.db2.gz YKFUBIFOCGGDRP-GUMHCPJTSA-N 2 1 298.474 3.472 20 0 CGADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246905624 804589474 /nfs/dbraw/zinc/58/94/74/804589474.db2.gz DKWAEOXYPQSMQY-RBSFLKMASA-N 2 1 292.854 3.399 20 0 CGADMP CCCC1CCC([N@@H+](C)C2(C)CC[NH2+]CC2)CC1 ZINC001246912760 804597225 /nfs/dbraw/zinc/59/72/25/804597225.db2.gz VJFOCQMYOFQUKL-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246913290 804597343 /nfs/dbraw/zinc/59/73/43/804597343.db2.gz WCZRLKGCJHBELD-WMZOPIPTSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H](Cc1ccco1)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246912753 804597640 /nfs/dbraw/zinc/59/76/40/804597640.db2.gz FUENGJGGOPLYNJ-MRXNPFEDSA-N 2 1 298.430 3.465 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)CC[NH2+]1 ZINC001246915928 804598621 /nfs/dbraw/zinc/59/86/21/804598621.db2.gz ZHPHRXAHDRRLDD-HOCLYGCPSA-N 2 1 250.430 3.172 20 0 CGADMP C(C1CC1)[N@@H+](C1CC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246915777 804599273 /nfs/dbraw/zinc/59/92/73/804599273.db2.gz YPXNPQWOABSTGA-UHFFFAOYSA-N 2 1 262.441 3.173 20 0 CGADMP CSCC[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924586 804603847 /nfs/dbraw/zinc/60/38/47/804603847.db2.gz NAGUPGRPFJNLGX-WBVHZDCISA-N 2 1 292.492 3.382 20 0 CGADMP CSCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924586 804603849 /nfs/dbraw/zinc/60/38/49/804603849.db2.gz NAGUPGRPFJNLGX-WBVHZDCISA-N 2 1 292.492 3.382 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(C(C)C)CC1 ZINC001246933686 804606645 /nfs/dbraw/zinc/60/66/45/804606645.db2.gz ATHHIWOSSJQJJK-QQFBHYJXSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937881 804609021 /nfs/dbraw/zinc/60/90/21/804609021.db2.gz NIILJJDFPUMWQQ-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP CCC(CC)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938957 804611121 /nfs/dbraw/zinc/61/11/21/804611121.db2.gz QMGQVRSPXOFBGX-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246971441 804623250 /nfs/dbraw/zinc/62/32/50/804623250.db2.gz BJBVPSRGUYRORY-RFBLXINOSA-N 2 1 252.446 3.116 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(C)(C)CC1 ZINC001246974549 804624549 /nfs/dbraw/zinc/62/45/49/804624549.db2.gz KAWYSKKRCDFDIA-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246978630 804625182 /nfs/dbraw/zinc/62/51/82/804625182.db2.gz VEPHAAVQMACIEB-CQSZACIVSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246978627 804626162 /nfs/dbraw/zinc/62/61/62/804626162.db2.gz VEPHAAVQMACIEB-AWEZNQCLSA-N 2 1 290.426 3.363 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1cccc(F)c1 ZINC001246979629 804627341 /nfs/dbraw/zinc/62/73/41/804627341.db2.gz ZZQSVMLLBHJICI-GOEBONIOSA-N 2 1 278.415 3.078 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246981328 804627659 /nfs/dbraw/zinc/62/76/59/804627659.db2.gz QDDCNCLLLJPDNP-GWCFXTLKSA-N 2 1 272.795 3.079 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246981328 804627662 /nfs/dbraw/zinc/62/76/62/804627662.db2.gz QDDCNCLLLJPDNP-GWCFXTLKSA-N 2 1 272.795 3.079 20 0 CGADMP C[C@H]1CC([N@H+]2CCc3ccccc3[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246984326 804628929 /nfs/dbraw/zinc/62/89/29/804628929.db2.gz LDQNZIMOALCSEC-IHRRRGAJSA-N 2 1 258.409 3.135 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246986064 804629107 /nfs/dbraw/zinc/62/91/07/804629107.db2.gz JOHVUIZLUIAOKS-FUHWJXTLSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246986064 804629109 /nfs/dbraw/zinc/62/91/09/804629109.db2.gz JOHVUIZLUIAOKS-FUHWJXTLSA-N 2 1 295.515 3.103 20 0 CGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246985692 804629225 /nfs/dbraw/zinc/62/92/25/804629225.db2.gz ITJMJLRKMMMGNU-JYAVWHMHSA-N 2 1 299.245 3.423 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001246997295 804633133 /nfs/dbraw/zinc/63/31/33/804633133.db2.gz LVLRVZUEIOCDOF-KSSFIOAISA-N 2 1 290.426 3.104 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247001806 804635573 /nfs/dbraw/zinc/63/55/73/804635573.db2.gz LJDYQDOLVZHDKX-CZUORRHYSA-N 2 1 296.455 3.367 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC[NH2+]1 ZINC001247002876 804635875 /nfs/dbraw/zinc/63/58/75/804635875.db2.gz LZAKHDNJKNIEOI-KLHDSHLOSA-N 2 1 252.446 3.274 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001247003724 804636084 /nfs/dbraw/zinc/63/60/84/804636084.db2.gz PSJMLTQNBPYBSV-CRAIPNDOSA-N 2 1 274.452 3.241 20 0 CGADMP CC(C)C1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014813 804642790 /nfs/dbraw/zinc/64/27/90/804642790.db2.gz LKNQAZQYIYGDNE-MNAZLIDISA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014813 804642795 /nfs/dbraw/zinc/64/27/95/804642795.db2.gz LKNQAZQYIYGDNE-MNAZLIDISA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256829994 806988802 /nfs/dbraw/zinc/98/88/02/806988802.db2.gz MRBAVUVGSUGBLH-QZTJIDSGSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cc[nH+]c(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001165301392 806990215 /nfs/dbraw/zinc/99/02/15/806990215.db2.gz VWPWRPMRDLNVDZ-GFCCVEGCSA-N 2 1 299.340 3.043 20 0 CGADMP Cc1ccc2c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cccc2n1 ZINC001248572960 804956041 /nfs/dbraw/zinc/95/60/41/804956041.db2.gz CFMYHCTVAISPSP-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cccc2n1 ZINC001248572960 804956047 /nfs/dbraw/zinc/95/60/47/804956047.db2.gz CFMYHCTVAISPSP-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cccc2n1 ZINC001248572960 804956051 /nfs/dbraw/zinc/95/60/51/804956051.db2.gz CFMYHCTVAISPSP-LJQANCHMSA-N 2 1 295.430 3.071 20 0 CGADMP C[N@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH+](C)CC1 ZINC001144238260 804958479 /nfs/dbraw/zinc/95/84/79/804958479.db2.gz JELHOJOOUUNEJW-UHFFFAOYSA-N 2 1 283.419 3.003 20 0 CGADMP C[N@@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH+](C)CC1 ZINC001144238260 804958482 /nfs/dbraw/zinc/95/84/82/804958482.db2.gz JELHOJOOUUNEJW-UHFFFAOYSA-N 2 1 283.419 3.003 20 0 CGADMP c1cc2c(c(C[NH+]3CCC([NH+]4CCCC4)CC3)c1)CCC2 ZINC001249456447 805152533 /nfs/dbraw/zinc/15/25/33/805152533.db2.gz QYZLRFZZPJDEQL-UHFFFAOYSA-N 2 1 284.447 3.236 20 0 CGADMP COc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]c2ccccc21 ZINC001155028934 805526325 /nfs/dbraw/zinc/52/63/25/805526325.db2.gz DVRKBQHXRFOKDX-ZIAGYGMSSA-N 2 1 299.418 3.291 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2cc(OCC3CC3)cc[nH+]2)C1 ZINC001165273272 806983782 /nfs/dbraw/zinc/98/37/82/806983782.db2.gz PNIPNNGGCNDUIV-CQSZACIVSA-N 2 1 289.423 3.014 20 0 CGADMP C[N@@H+](Cc1ccc(NC(=[NH2+])C(C)(C)C)nc1)C1CC1 ZINC001155181590 805552714 /nfs/dbraw/zinc/55/27/14/805552714.db2.gz MHKISFGTMIAROD-UHFFFAOYSA-N 2 1 260.385 3.111 20 0 CGADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)nc1 ZINC001257212774 807061613 /nfs/dbraw/zinc/06/16/13/807061613.db2.gz ACMOTJBLLUXGLR-GOSISDBHSA-N 2 1 287.451 3.304 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC/C=C/c2cccnc2)CC1 ZINC001257223772 807065259 /nfs/dbraw/zinc/06/52/59/807065259.db2.gz BHLHATPHFVJFTQ-QPJJXVBHSA-N 2 1 287.451 3.290 20 0 CGADMP CC(C)[NH+]1CCC(CNc2[nH+]ccc3ccn(C)c32)CC1 ZINC001166615725 807069497 /nfs/dbraw/zinc/06/94/97/807069497.db2.gz JJTKAUAQCYNQSL-UHFFFAOYSA-N 2 1 286.423 3.106 20 0 CGADMP CCC(CC)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001257295710 807091056 /nfs/dbraw/zinc/09/10/56/807091056.db2.gz CZYITBRCMJYFBY-ZIAGYGMSSA-N 2 1 278.465 3.300 20 0 CGADMP CCC[C@@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257312899 807101010 /nfs/dbraw/zinc/10/10/10/807101010.db2.gz IALCNSXPWYVVRE-DJIMGWMZSA-N 2 1 275.440 3.342 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cc2[nH+]c[nH]c2cc1F ZINC001167753091 807242521 /nfs/dbraw/zinc/24/25/21/807242521.db2.gz CGMNOPUAAAXQSV-GFCCVEGCSA-N 2 1 290.386 3.378 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc2[nH+]c[nH]c2cc1F ZINC001167753091 807242525 /nfs/dbraw/zinc/24/25/25/807242525.db2.gz CGMNOPUAAAXQSV-GFCCVEGCSA-N 2 1 290.386 3.378 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001167826815 807255980 /nfs/dbraw/zinc/25/59/80/807255980.db2.gz RKCQGZCOBROTFA-UONOGXRCSA-N 2 1 274.399 3.228 20 0 CGADMP [NH2+]=CNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001167867211 807265052 /nfs/dbraw/zinc/26/50/52/807265052.db2.gz ILYGOUGSEPIWLU-UHFFFAOYSA-N 2 1 251.333 3.221 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001258013057 807266187 /nfs/dbraw/zinc/26/61/87/807266187.db2.gz LVGBTNFPNOSZKP-UHFFFAOYSA-N 2 1 288.426 3.474 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(C)C)CC1 ZINC001258016618 807267181 /nfs/dbraw/zinc/26/71/81/807267181.db2.gz AYZHUQVTOTWZNX-MRXNPFEDSA-N 2 1 252.446 3.227 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167939809 807278682 /nfs/dbraw/zinc/27/86/82/807278682.db2.gz NHXWNXMTEDWUDL-IZZQQSIFSA-N 2 1 284.447 3.381 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167952810 807283191 /nfs/dbraw/zinc/28/31/91/807283191.db2.gz QOFXEUBEMCBIDI-DMRKSPOLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167952810 807283195 /nfs/dbraw/zinc/28/31/95/807283195.db2.gz QOFXEUBEMCBIDI-DMRKSPOLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167952810 807283197 /nfs/dbraw/zinc/28/31/97/807283197.db2.gz QOFXEUBEMCBIDI-DMRKSPOLSA-N 2 1 262.441 3.124 20 0 CGADMP CC(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959897 807286990 /nfs/dbraw/zinc/28/69/90/807286990.db2.gz UMQSWZVAPRCNDJ-MQVJKMGUSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)[C@@H](C)C1 ZINC001168209573 807350346 /nfs/dbraw/zinc/35/03/46/807350346.db2.gz XQHHXQGJOOTWFZ-BHDPWAOGSA-N 2 1 252.446 3.274 20 0 CGADMP CSCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258199600 807360158 /nfs/dbraw/zinc/36/01/58/807360158.db2.gz IQULGNVUUMMGRZ-RDJZCZTQSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]1C ZINC001168315537 807380113 /nfs/dbraw/zinc/38/01/13/807380113.db2.gz YBOAQXYBYKAEMR-WXLSXGNJSA-N 2 1 252.446 3.227 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001168313765 807380749 /nfs/dbraw/zinc/38/07/49/807380749.db2.gz GTMWQISUZVCLAU-YMAMQOFZSA-N 2 1 256.409 3.073 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)CCc2cccs2)CC1 ZINC001168324603 807383464 /nfs/dbraw/zinc/38/34/64/807383464.db2.gz RAPMAYWNYYAACT-UHFFFAOYSA-N 2 1 266.454 3.095 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C2CCC([NH+](C)C)CC2)CC1 ZINC001168330268 807386835 /nfs/dbraw/zinc/38/68/35/807386835.db2.gz OKWPOUUYRCCJJW-UHFFFAOYSA-N 3 1 295.515 3.056 20 0 CGADMP CCCCN1CCC([N@H+](C)C2CCC([NH+](C)C)CC2)CC1 ZINC001168330268 807386843 /nfs/dbraw/zinc/38/68/43/807386843.db2.gz OKWPOUUYRCCJJW-UHFFFAOYSA-N 2 1 295.515 3.056 20 0 CGADMP CCCCN1CCC([N@@H+](C)C2CCC([NH+](C)C)CC2)CC1 ZINC001168330268 807386852 /nfs/dbraw/zinc/38/68/52/807386852.db2.gz OKWPOUUYRCCJJW-UHFFFAOYSA-N 2 1 295.515 3.056 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001168467709 807426788 /nfs/dbraw/zinc/42/67/88/807426788.db2.gz JZGUYAWELCFGLI-RHSMWYFYSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001168467709 807426794 /nfs/dbraw/zinc/42/67/94/807426794.db2.gz JZGUYAWELCFGLI-RHSMWYFYSA-N 2 1 290.426 3.363 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168695240 807485621 /nfs/dbraw/zinc/48/56/21/807485621.db2.gz YECFNYOVWPOKEH-JQFCIGGWSA-N 2 1 292.854 3.270 20 0 CGADMP CCCC1CCC([N@@H+](C)C2CCN(C)CC2)CC1 ZINC001258530904 807486998 /nfs/dbraw/zinc/48/69/98/807486998.db2.gz OOIXOLIORYGMIZ-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001258689708 807545808 /nfs/dbraw/zinc/54/58/08/807545808.db2.gz IVLYNQATKKPGFW-FPCVCCKLSA-N 2 1 294.483 3.172 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)CC(C)(C)C1 ZINC001258704645 807560316 /nfs/dbraw/zinc/56/03/16/807560316.db2.gz SPLRGFMOIVUCNL-GOEBONIOSA-N 2 1 264.457 3.371 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CCC[NH3+])c3ccccc31)C2 ZINC001169089336 807571706 /nfs/dbraw/zinc/57/17/06/807571706.db2.gz BSJDKTMEAKXYFF-FVQHAEBGSA-N 2 1 297.446 3.330 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169096916 807573526 /nfs/dbraw/zinc/57/35/26/807573526.db2.gz ZTSUHLNOGVULDS-BJWYYQGGSA-N 2 1 258.409 3.018 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001169099330 807576226 /nfs/dbraw/zinc/57/62/26/807576226.db2.gz PYNOWXYHVRWECN-KYHPRHEASA-N 2 1 285.435 3.056 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169099330 807576231 /nfs/dbraw/zinc/57/62/31/807576231.db2.gz PYNOWXYHVRWECN-KYHPRHEASA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccc(F)cc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169112725 807580715 /nfs/dbraw/zinc/58/07/15/807580715.db2.gz SBAGFDDQJCHEBF-HNKHHVNMSA-N 2 1 276.399 3.410 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccccc3)C1)C2 ZINC001169124514 807585563 /nfs/dbraw/zinc/58/55/63/807585563.db2.gz DJAPYZDCNUWKSI-WNRNVDISSA-N 2 1 270.420 3.101 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC001169124514 807585569 /nfs/dbraw/zinc/58/55/69/807585569.db2.gz DJAPYZDCNUWKSI-WNRNVDISSA-N 2 1 270.420 3.101 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC001169124514 807585571 /nfs/dbraw/zinc/58/55/71/807585571.db2.gz DJAPYZDCNUWKSI-WNRNVDISSA-N 2 1 270.420 3.101 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169156421 807595858 /nfs/dbraw/zinc/59/58/58/807595858.db2.gz XXNYQGVJQWRSGF-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169156421 807595860 /nfs/dbraw/zinc/59/58/60/807595860.db2.gz XXNYQGVJQWRSGF-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169156421 807595864 /nfs/dbraw/zinc/59/58/64/807595864.db2.gz XXNYQGVJQWRSGF-BJWYYQGGSA-N 2 1 276.399 3.273 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCCCCCC1)C2 ZINC001169154236 807597023 /nfs/dbraw/zinc/59/70/23/807597023.db2.gz OVIDVVLMMBUHDU-MUJYYYPQSA-N 2 1 250.430 3.268 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)CC1 ZINC001169244447 807612635 /nfs/dbraw/zinc/61/26/35/807612635.db2.gz OTWGYSCMCZJXNL-HAQNSBGRSA-N 2 1 278.362 3.181 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](c2cccc(OC)c2)C2CC2)CC1 ZINC001169241186 807613075 /nfs/dbraw/zinc/61/30/75/807613075.db2.gz JCMMQMOJESVCQL-GOSISDBHSA-N 2 1 288.435 3.220 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001169258776 807616365 /nfs/dbraw/zinc/61/63/65/807616365.db2.gz RQJYKOVHQCUILT-AWEZNQCLSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001169258776 807616369 /nfs/dbraw/zinc/61/63/69/807616369.db2.gz RQJYKOVHQCUILT-AWEZNQCLSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001169262172 807618453 /nfs/dbraw/zinc/61/84/53/807618453.db2.gz USMYQDFSSMUHRD-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001169262172 807618455 /nfs/dbraw/zinc/61/84/55/807618455.db2.gz USMYQDFSSMUHRD-OAHLLOKOSA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001258909406 807672484 /nfs/dbraw/zinc/67/24/84/807672484.db2.gz DOPUULWSLVLFOS-SOUVJXGZSA-N 2 1 288.426 3.474 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001170088172 807751989 /nfs/dbraw/zinc/75/19/89/807751989.db2.gz OTJXCLBSPCZHAD-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001170088172 807751990 /nfs/dbraw/zinc/75/19/90/807751990.db2.gz OTJXCLBSPCZHAD-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001170088172 807751996 /nfs/dbraw/zinc/75/19/96/807751996.db2.gz OTJXCLBSPCZHAD-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[N@@H+]([C@H]1CC[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170125010 807768555 /nfs/dbraw/zinc/76/85/55/807768555.db2.gz ZOIXVWFLMNEBOZ-FPCVCCKLSA-N 2 1 252.446 3.403 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCO1 ZINC001170222666 807796925 /nfs/dbraw/zinc/79/69/25/807796925.db2.gz OPRRZZDFTPMNAL-FGTMMUONSA-N 2 1 294.483 3.284 20 0 CGADMP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014511 807960151 /nfs/dbraw/zinc/96/01/51/807960151.db2.gz ZEACETCMNWBAQZ-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014511 807960157 /nfs/dbraw/zinc/96/01/57/807960157.db2.gz ZEACETCMNWBAQZ-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3ncccc32)CC1(C)C ZINC001171624797 808106642 /nfs/dbraw/zinc/10/66/42/808106642.db2.gz XVXQVFNRVVRUAZ-MRXNPFEDSA-N 2 1 287.451 3.310 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC2)C3)cc1 ZINC001172080062 808170322 /nfs/dbraw/zinc/17/03/22/808170322.db2.gz SMHPFAJEDYEXJE-PIIMJCKOSA-N 2 1 270.420 3.278 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172101441 808171866 /nfs/dbraw/zinc/17/18/66/808171866.db2.gz YGQNKJNEAYHSLZ-JKJDWNRSSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172101441 808171870 /nfs/dbraw/zinc/17/18/70/808171870.db2.gz YGQNKJNEAYHSLZ-JKJDWNRSSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1Cl)C2 ZINC001172101015 808171986 /nfs/dbraw/zinc/17/19/86/808171986.db2.gz VGDLRPKPXPCWOB-QKDCVEJESA-N 2 1 278.827 3.445 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1Cl)C2 ZINC001172101015 808171988 /nfs/dbraw/zinc/17/19/88/808171988.db2.gz VGDLRPKPXPCWOB-QKDCVEJESA-N 2 1 278.827 3.445 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099432 808172096 /nfs/dbraw/zinc/17/20/96/808172096.db2.gz HHBLBTSXKQOFHM-SUJAAXHWSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099432 808172098 /nfs/dbraw/zinc/17/20/98/808172098.db2.gz HHBLBTSXKQOFHM-SUJAAXHWSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C2 ZINC001172099045 808172420 /nfs/dbraw/zinc/17/24/20/808172420.db2.gz HXDJDOQMMNZXQR-XDQVBPFNSA-N 2 1 272.383 3.027 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100561 808172483 /nfs/dbraw/zinc/17/24/83/808172483.db2.gz FDILXTQILYRNOU-LDLYASANSA-N 2 1 286.463 3.396 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3ncccc3c1)C2 ZINC001172101990 808173049 /nfs/dbraw/zinc/17/30/49/808173049.db2.gz ITVLPCQISSKJAE-BCDXTJNWSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3)CC1)C2 ZINC001172102631 808173980 /nfs/dbraw/zinc/17/39/80/808173980.db2.gz NRFBHFDYAORXQM-OSYLJGHBSA-N 2 1 270.420 3.281 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3)CC1)C2 ZINC001172102631 808173982 /nfs/dbraw/zinc/17/39/82/808173982.db2.gz NRFBHFDYAORXQM-OSYLJGHBSA-N 2 1 270.420 3.281 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172103468 808174747 /nfs/dbraw/zinc/17/47/47/808174747.db2.gz USKPAPNLOAZLRL-NNZMDNLPSA-N 2 1 272.436 3.408 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nccc3ccccc31)C2 ZINC001172104360 808174982 /nfs/dbraw/zinc/17/49/82/808174982.db2.gz FCFIGSVTFVPERH-BJWYYQGGSA-N 2 1 295.430 3.340 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172107196 808176858 /nfs/dbraw/zinc/17/68/58/808176858.db2.gz UNQZLSOLYDWLNU-XMTFNYHQSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172107196 808176862 /nfs/dbraw/zinc/17/68/62/808176862.db2.gz UNQZLSOLYDWLNU-XMTFNYHQSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)C([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC001172106518 808177342 /nfs/dbraw/zinc/17/73/42/808177342.db2.gz PWKHSJCUQZHULQ-QDMKHBRRSA-N 2 1 252.446 3.272 20 0 CGADMP CC(C)C([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001172106518 808177344 /nfs/dbraw/zinc/17/73/44/808177344.db2.gz PWKHSJCUQZHULQ-QDMKHBRRSA-N 2 1 252.446 3.272 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3sccc31)C2 ZINC001172110038 808178517 /nfs/dbraw/zinc/17/85/17/808178517.db2.gz ITTSOTVQVVBEAT-XPCVCDNBSA-N 2 1 276.449 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3sccc31)C2 ZINC001172110038 808178521 /nfs/dbraw/zinc/17/85/21/808178521.db2.gz ITTSOTVQVVBEAT-XPCVCDNBSA-N 2 1 276.449 3.340 20 0 CGADMP Cc1cccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001172112309 808179338 /nfs/dbraw/zinc/17/93/38/808179338.db2.gz UMTNCLYGBRNVFB-BJWYYQGGSA-N 2 1 299.462 3.027 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3cccc(C[NH3+])c31)C2 ZINC001172117564 808181197 /nfs/dbraw/zinc/18/11/97/808181197.db2.gz MLUBESOFWITDNM-FVQHAEBGSA-N 2 1 283.419 3.288 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC3(C1)CC(F)(F)C3)C2 ZINC001172117537 808181309 /nfs/dbraw/zinc/18/13/09/808181309.db2.gz MCUSHMGNFUOFMD-UBSAEIQESA-N 2 1 284.394 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC3(C1)CC(F)(F)C3)C2 ZINC001172117537 808181311 /nfs/dbraw/zinc/18/13/11/808181311.db2.gz MCUSHMGNFUOFMD-UBSAEIQESA-N 2 1 284.394 3.169 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001172121945 808182677 /nfs/dbraw/zinc/18/26/77/808182677.db2.gz NQRWALQGBJQDOV-IGQOVBAYSA-N 2 1 290.373 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001172121945 808182682 /nfs/dbraw/zinc/18/26/82/808182682.db2.gz NQRWALQGBJQDOV-IGQOVBAYSA-N 2 1 290.373 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001172121945 808182685 /nfs/dbraw/zinc/18/26/85/808182685.db2.gz NQRWALQGBJQDOV-IGQOVBAYSA-N 2 1 290.373 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001172121945 808182687 /nfs/dbraw/zinc/18/26/87/808182687.db2.gz NQRWALQGBJQDOV-IGQOVBAYSA-N 2 1 290.373 3.276 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@](C)(F)C1)C2 ZINC001172120017 808182955 /nfs/dbraw/zinc/18/29/55/808182955.db2.gz IWROTHQQJITQLE-FXUDXRNXSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@](C)(F)C1)C2 ZINC001172120017 808182959 /nfs/dbraw/zinc/18/29/59/808182959.db2.gz IWROTHQQJITQLE-FXUDXRNXSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@](C)(F)C1)C2 ZINC001172120017 808182963 /nfs/dbraw/zinc/18/29/63/808182963.db2.gz IWROTHQQJITQLE-FXUDXRNXSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@](C)(F)C1)C2 ZINC001172120017 808182968 /nfs/dbraw/zinc/18/29/68/808182968.db2.gz IWROTHQQJITQLE-FXUDXRNXSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@](C)(F)C1)C2 ZINC001172120018 808183110 /nfs/dbraw/zinc/18/31/10/808183110.db2.gz IWROTHQQJITQLE-FZKCQIBNSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@](C)(F)C1)C2 ZINC001172120018 808183113 /nfs/dbraw/zinc/18/31/13/808183113.db2.gz IWROTHQQJITQLE-FZKCQIBNSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@](C)(F)C1)C2 ZINC001172120018 808183117 /nfs/dbraw/zinc/18/31/17/808183117.db2.gz IWROTHQQJITQLE-FZKCQIBNSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@](C)(F)C1)C2 ZINC001172120018 808183120 /nfs/dbraw/zinc/18/31/20/808183120.db2.gz IWROTHQQJITQLE-FZKCQIBNSA-N 2 1 268.420 3.216 20 0 CGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124588 808185620 /nfs/dbraw/zinc/18/56/20/808185620.db2.gz LSCBFJCXMZWZTJ-FJIDUMEYSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124588 808185622 /nfs/dbraw/zinc/18/56/22/808185622.db2.gz LSCBFJCXMZWZTJ-FJIDUMEYSA-N 2 1 299.462 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124588 808185623 /nfs/dbraw/zinc/18/56/23/808185623.db2.gz LSCBFJCXMZWZTJ-FJIDUMEYSA-N 2 1 299.462 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124588 808185625 /nfs/dbraw/zinc/18/56/25/808185625.db2.gz LSCBFJCXMZWZTJ-FJIDUMEYSA-N 2 1 299.462 3.276 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001172124588 808185627 /nfs/dbraw/zinc/18/56/27/808185627.db2.gz LSCBFJCXMZWZTJ-FJIDUMEYSA-N 2 1 299.462 3.276 20 0 CGADMP C[NH+](CC1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128256 808187041 /nfs/dbraw/zinc/18/70/41/808187041.db2.gz QICOMFDQBPTZEU-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@H+](CC1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128256 808187036 /nfs/dbraw/zinc/18/70/36/808187036.db2.gz QICOMFDQBPTZEU-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128256 808187038 /nfs/dbraw/zinc/18/70/38/808187038.db2.gz QICOMFDQBPTZEU-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128256 808187044 /nfs/dbraw/zinc/18/70/44/808187044.db2.gz QICOMFDQBPTZEU-ZSHCYNCHSA-N 2 1 250.430 3.124 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172341526 808241935 /nfs/dbraw/zinc/24/19/35/808241935.db2.gz GVEZHEDIMBSZLT-JJTUDDRGSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172341526 808241939 /nfs/dbraw/zinc/24/19/39/808241939.db2.gz GVEZHEDIMBSZLT-JJTUDDRGSA-N 2 1 282.472 3.185 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@@H]1C ZINC001172367803 808263502 /nfs/dbraw/zinc/26/35/02/808263502.db2.gz NHTKWCLQOIMLNT-PMPSAXMXSA-N 3 1 297.531 3.286 20 0 CGADMP CC(C)OCC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436271 808312915 /nfs/dbraw/zinc/31/29/15/808312915.db2.gz BYEQUPRDGIEPOU-XIRDDKMYSA-N 2 1 282.472 3.172 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172464087 808334362 /nfs/dbraw/zinc/33/43/62/808334362.db2.gz ZIAOTBYDBVGYSD-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172464087 808334371 /nfs/dbraw/zinc/33/43/71/808334371.db2.gz ZIAOTBYDBVGYSD-HZPDHXFCSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+](C)C1CCC([NH3+])CC1)CC2 ZINC001172833961 808451122 /nfs/dbraw/zinc/45/11/22/808451122.db2.gz DEDXPVKICDOVHJ-ABHNRTSZSA-N 2 1 272.436 3.054 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001173109372 808512342 /nfs/dbraw/zinc/51/23/42/808512342.db2.gz HNWAWBRFTMMEHE-UYSNPLJNSA-N 2 1 270.436 3.321 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001173114422 808513699 /nfs/dbraw/zinc/51/36/99/808513699.db2.gz JISGDCUWVVQJCC-STONLHKKSA-N 2 1 264.457 3.227 20 0 CGADMP CCN(CC)[C@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173114453 808513764 /nfs/dbraw/zinc/51/37/64/808513764.db2.gz KVFIAYYXRQYTRY-ABHNRTSZSA-N 2 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)[C@H]1CCN(C2CCC([NH+](CC)CC)CC2)C1 ZINC001173114453 808513766 /nfs/dbraw/zinc/51/37/66/808513766.db2.gz KVFIAYYXRQYTRY-ABHNRTSZSA-N 2 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC(C)(C)C[C@]2(C)CO)CC1 ZINC001173110046 808513873 /nfs/dbraw/zinc/51/38/73/808513873.db2.gz NMUFOSBKWYNUJK-LEOMRAHMSA-N 2 1 296.499 3.122 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001173236400 808546162 /nfs/dbraw/zinc/54/61/62/808546162.db2.gz WDGOVSYPXGCQPW-CRAIPNDOSA-N 2 1 274.452 3.254 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC001173239521 808547284 /nfs/dbraw/zinc/54/72/84/808547284.db2.gz QTVDAPBTFQQDBE-OAHLLOKOSA-N 2 1 274.452 3.254 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](CCC[NH3+])C(C)C)cc1 ZINC001173239280 808547575 /nfs/dbraw/zinc/54/75/75/808547575.db2.gz PTKHVWSWOZNHAR-OAHLLOKOSA-N 2 1 262.441 3.239 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH2+]CCn1cc[nH+]c1C ZINC001173246954 808555583 /nfs/dbraw/zinc/55/55/83/808555583.db2.gz TYNWYDGBFMZFEI-HNNXBMFYSA-N 2 1 251.418 3.386 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001173259870 808566474 /nfs/dbraw/zinc/56/64/74/808566474.db2.gz MRJBTPVLGXNDHZ-HNNXBMFYSA-N 2 1 263.429 3.346 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001173259870 808566481 /nfs/dbraw/zinc/56/64/81/808566481.db2.gz MRJBTPVLGXNDHZ-HNNXBMFYSA-N 2 1 263.429 3.346 20 0 CGADMP CC[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001173288219 808588683 /nfs/dbraw/zinc/58/86/83/808588683.db2.gz MIIKGOAUNUUFIT-QAPCUYQASA-N 2 1 294.483 3.140 20 0 CGADMP CC[N@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3ccccc32)C1 ZINC001173363335 808630064 /nfs/dbraw/zinc/63/00/64/808630064.db2.gz NUTHINBUJCFRKV-INIZCTEOSA-N 2 1 297.446 3.375 20 0 CGADMP CC[N@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3ccccc32)C1 ZINC001173363336 808632373 /nfs/dbraw/zinc/63/23/73/808632373.db2.gz NUTHINBUJCFRKV-MRXNPFEDSA-N 2 1 297.446 3.375 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001275040958 808900123 /nfs/dbraw/zinc/90/01/23/808900123.db2.gz XICSRPDQSHFCDP-MRXNPFEDSA-N 2 1 262.441 3.151 20 0 CGADMP CC(C)C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275056399 808901485 /nfs/dbraw/zinc/90/14/85/808901485.db2.gz RYPDUGMIAKBOIU-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275056399 808901488 /nfs/dbraw/zinc/90/14/88/808901488.db2.gz RYPDUGMIAKBOIU-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275056399 808901492 /nfs/dbraw/zinc/90/14/92/808901492.db2.gz RYPDUGMIAKBOIU-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP CC[C@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275061039 808902765 /nfs/dbraw/zinc/90/27/65/808902765.db2.gz AKZGRFKXOWZPPN-INIZCTEOSA-N 2 1 289.467 3.349 20 0 CGADMP CC[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001275084739 808905080 /nfs/dbraw/zinc/90/50/80/808905080.db2.gz DBOCPGWBPLQKRP-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP CC[N@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001275084739 808905086 /nfs/dbraw/zinc/90/50/86/808905086.db2.gz DBOCPGWBPLQKRP-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP CC[NH+]1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275084739 808905091 /nfs/dbraw/zinc/90/50/91/808905091.db2.gz DBOCPGWBPLQKRP-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP CC[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275084739 808905097 /nfs/dbraw/zinc/90/50/97/808905097.db2.gz DBOCPGWBPLQKRP-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP Cc1ccc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001275287627 808926776 /nfs/dbraw/zinc/92/67/76/808926776.db2.gz UEMXOZABZGZDHG-CALCHBBNSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001275287627 808926781 /nfs/dbraw/zinc/92/67/81/808926781.db2.gz UEMXOZABZGZDHG-CALCHBBNSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001275287627 808926785 /nfs/dbraw/zinc/92/67/85/808926785.db2.gz UEMXOZABZGZDHG-CALCHBBNSA-N 2 1 272.436 3.077 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)cnc3Cl)(C1)CCC2 ZINC001275340885 808930968 /nfs/dbraw/zinc/93/09/68/808930968.db2.gz SBNMIPGFJCYWNY-JKSUJKDBSA-N 2 1 293.842 3.198 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc(C)c1F ZINC001275830167 808969916 /nfs/dbraw/zinc/96/99/16/808969916.db2.gz OADJZVXHDOPJSE-GOSISDBHSA-N 2 1 290.426 3.360 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc(C)c1F ZINC001275830167 808969921 /nfs/dbraw/zinc/96/99/21/808969921.db2.gz OADJZVXHDOPJSE-GOSISDBHSA-N 2 1 290.426 3.360 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc(C)c1F ZINC001275830167 808969922 /nfs/dbraw/zinc/96/99/22/808969922.db2.gz OADJZVXHDOPJSE-GOSISDBHSA-N 2 1 290.426 3.360 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc(C)c1F ZINC001275830167 808969925 /nfs/dbraw/zinc/96/99/25/808969925.db2.gz OADJZVXHDOPJSE-GOSISDBHSA-N 2 1 290.426 3.360 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC001275866786 808972201 /nfs/dbraw/zinc/97/22/01/808972201.db2.gz UAXJRTSGUHBFNW-OAHLLOKOSA-N 2 1 264.438 3.056 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC001275866786 808972205 /nfs/dbraw/zinc/97/22/05/808972205.db2.gz UAXJRTSGUHBFNW-OAHLLOKOSA-N 2 1 264.438 3.056 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC001275866786 808972208 /nfs/dbraw/zinc/97/22/08/808972208.db2.gz UAXJRTSGUHBFNW-OAHLLOKOSA-N 2 1 264.438 3.056 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC001275866786 808972211 /nfs/dbraw/zinc/97/22/11/808972211.db2.gz UAXJRTSGUHBFNW-OAHLLOKOSA-N 2 1 264.438 3.056 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)ccc1F ZINC001276229821 808994211 /nfs/dbraw/zinc/99/42/11/808994211.db2.gz FSRQYCSBOBPPMN-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)ccc1F ZINC001276229821 808994214 /nfs/dbraw/zinc/99/42/14/808994214.db2.gz FSRQYCSBOBPPMN-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1F ZINC001276229821 808994216 /nfs/dbraw/zinc/99/42/16/808994216.db2.gz FSRQYCSBOBPPMN-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1F ZINC001276229821 808994219 /nfs/dbraw/zinc/99/42/19/808994219.db2.gz FSRQYCSBOBPPMN-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC(C)=C[C@H]1C ZINC001276472145 809012232 /nfs/dbraw/zinc/01/22/32/809012232.db2.gz IZQVASHYIXSFKR-DQIHPLBOSA-N 2 1 262.441 3.194 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001276534272 809015007 /nfs/dbraw/zinc/01/50/07/809015007.db2.gz XDTKDCFNOBEXDI-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001276534272 809015016 /nfs/dbraw/zinc/01/50/16/809015016.db2.gz XDTKDCFNOBEXDI-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001276534272 809015023 /nfs/dbraw/zinc/01/50/23/809015023.db2.gz XDTKDCFNOBEXDI-IYBDPMFKSA-N 2 1 292.854 3.156 20 0 CGADMP Cc1c2ccccc2[nH]c1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276593884 809019265 /nfs/dbraw/zinc/01/92/65/809019265.db2.gz NMADCFFUOWSJQY-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@H]2CC1 ZINC001276668319 809024949 /nfs/dbraw/zinc/02/49/49/809024949.db2.gz BUWOLEAHZSFKNQ-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2CC1 ZINC001276668319 809024955 /nfs/dbraw/zinc/02/49/55/809024955.db2.gz BUWOLEAHZSFKNQ-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@H]2CC1 ZINC001276668319 809024962 /nfs/dbraw/zinc/02/49/62/809024962.db2.gz BUWOLEAHZSFKNQ-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(C(C)(C)C)c[nH]3)C[C@H]2CC1 ZINC001276882104 809040359 /nfs/dbraw/zinc/04/03/59/809040359.db2.gz LNMDXGMZMOBYOI-GASCZTMLSA-N 2 1 289.467 3.086 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)c[nH]3)C[C@H]2CC1 ZINC001276882104 809040365 /nfs/dbraw/zinc/04/03/65/809040365.db2.gz LNMDXGMZMOBYOI-GASCZTMLSA-N 2 1 289.467 3.086 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)c[nH]3)C[C@H]2CC1 ZINC001276882104 809040372 /nfs/dbraw/zinc/04/03/72/809040372.db2.gz LNMDXGMZMOBYOI-GASCZTMLSA-N 2 1 289.467 3.086 20 0 CGADMP Cc1cccc(N2CCCC3(C[NH+](C4CCCC4)C3)C2)[nH+]1 ZINC001276980722 809051585 /nfs/dbraw/zinc/05/15/85/809051585.db2.gz GAPRPZDNUNKBNV-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP Cc1cc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)cs1 ZINC001277310826 809069335 /nfs/dbraw/zinc/06/93/35/809069335.db2.gz VIZVMFXFDFKVDC-INIZCTEOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cs1 ZINC001277310826 809069341 /nfs/dbraw/zinc/06/93/41/809069341.db2.gz VIZVMFXFDFKVDC-INIZCTEOSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cs1 ZINC001277310826 809069347 /nfs/dbraw/zinc/06/93/47/809069347.db2.gz VIZVMFXFDFKVDC-INIZCTEOSA-N 2 1 278.465 3.364 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc4c3CCC4)CC2)C1 ZINC001277478367 809077414 /nfs/dbraw/zinc/07/74/14/809077414.db2.gz HEUBGSZAAFDKMD-UHFFFAOYSA-N 2 1 298.474 3.483 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001177303082 809792309 /nfs/dbraw/zinc/79/23/09/809792309.db2.gz BHVVRWTXDRDKTP-NEWSRXKRSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001177303082 809792311 /nfs/dbraw/zinc/79/23/11/809792311.db2.gz BHVVRWTXDRDKTP-NEWSRXKRSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C(C)C)C(C)C ZINC001178661105 809880575 /nfs/dbraw/zinc/88/05/75/809880575.db2.gz HXXZWCHNLDYHTB-HNNXBMFYSA-N 2 1 254.462 3.379 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC(C(C)C)C(C)C ZINC001178661105 809880581 /nfs/dbraw/zinc/88/05/81/809880581.db2.gz HXXZWCHNLDYHTB-HNNXBMFYSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@H]1CC(C[NH2+]Cc2c[nH+]ccc2N(C)C)C[C@H](C)C1 ZINC001179110936 809905368 /nfs/dbraw/zinc/90/53/68/809905368.db2.gz PVKYKNQFLLSOLZ-ZIAGYGMSSA-N 2 1 275.440 3.310 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001179158767 809907730 /nfs/dbraw/zinc/90/77/30/809907730.db2.gz BJUDSBRXGVIOES-AWEZNQCLSA-N 2 1 289.448 3.118 20 0 CGADMP Cc1ccc(CC[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1C ZINC001182909934 810130644 /nfs/dbraw/zinc/13/06/44/810130644.db2.gz LPVPRYRJJNNICX-SFHVURJKSA-N 2 1 274.452 3.167 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)s1 ZINC001183372258 810147191 /nfs/dbraw/zinc/14/71/91/810147191.db2.gz ZWGBKKZCBFVHMM-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)s1 ZINC001183372258 810147194 /nfs/dbraw/zinc/14/71/94/810147194.db2.gz ZWGBKKZCBFVHMM-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)s1 ZINC001183372258 810147198 /nfs/dbraw/zinc/14/71/98/810147198.db2.gz ZWGBKKZCBFVHMM-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)s1 ZINC001183372258 810147200 /nfs/dbraw/zinc/14/72/00/810147200.db2.gz ZWGBKKZCBFVHMM-BBRMVZONSA-N 2 1 278.465 3.227 20 0 CGADMP COC1(C[N@@H+](C)CCCC[NH+]2CCCCC2)CCCC1 ZINC001183510068 810150483 /nfs/dbraw/zinc/15/04/83/810150483.db2.gz CBGJGNHRCXKANA-UHFFFAOYSA-N 2 1 282.472 3.144 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccccc1 ZINC001184336551 810193584 /nfs/dbraw/zinc/19/35/84/810193584.db2.gz ARRNHIURTZWEPG-BQFCYCMXSA-N 2 1 292.467 3.473 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)[C@H]2C1 ZINC001184389584 810197670 /nfs/dbraw/zinc/19/76/70/810197670.db2.gz YLEPPIMBDSOGNZ-CXQPBAHBSA-N 2 1 298.474 3.328 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CC2(CCC2)C1 ZINC001191259043 810693820 /nfs/dbraw/zinc/69/38/20/810693820.db2.gz RXFCFWCPKQSYKL-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CC2(CCC2)C1 ZINC001191259043 810693828 /nfs/dbraw/zinc/69/38/28/810693828.db2.gz RXFCFWCPKQSYKL-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CC2(CCC2)C1 ZINC001191259043 810693834 /nfs/dbraw/zinc/69/38/34/810693834.db2.gz RXFCFWCPKQSYKL-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC4(CC4)CC3)CC[C@H]21 ZINC001191521332 810722356 /nfs/dbraw/zinc/72/23/56/810722356.db2.gz PROQKXFRGOPOFF-IAGOWNOFSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)CC[C@H]21 ZINC001191521332 810722362 /nfs/dbraw/zinc/72/23/62/810722362.db2.gz PROQKXFRGOPOFF-IAGOWNOFSA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)CC[C@H]21 ZINC001191521332 810722368 /nfs/dbraw/zinc/72/23/68/810722368.db2.gz PROQKXFRGOPOFF-IAGOWNOFSA-N 2 1 276.468 3.373 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C)c1 ZINC001197497369 811426037 /nfs/dbraw/zinc/42/60/37/811426037.db2.gz RGTRCPQETFBREG-QZTJIDSGSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)c1cccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC001197497369 811426040 /nfs/dbraw/zinc/42/60/40/811426040.db2.gz RGTRCPQETFBREG-QZTJIDSGSA-N 2 1 272.436 3.479 20 0 CGADMP CC(C)c1cccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC001197497369 811426045 /nfs/dbraw/zinc/42/60/45/811426045.db2.gz RGTRCPQETFBREG-QZTJIDSGSA-N 2 1 272.436 3.479 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001200232283 811646172 /nfs/dbraw/zinc/64/61/72/811646172.db2.gz JSTPFGVILULBAM-OWCLPIDISA-N 2 1 252.446 3.299 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001200232278 811646906 /nfs/dbraw/zinc/64/69/06/811646906.db2.gz JSTPFGVILULBAM-HRCADAONSA-N 2 1 252.446 3.299 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001200838487 811752516 /nfs/dbraw/zinc/75/25/16/811752516.db2.gz SBZBOIOBXJOUPA-KZNAEPCWSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001200838487 811752520 /nfs/dbraw/zinc/75/25/20/811752520.db2.gz SBZBOIOBXJOUPA-KZNAEPCWSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001201411609 811834894 /nfs/dbraw/zinc/83/48/94/811834894.db2.gz RAKXWHRGKNAYJB-MRXNPFEDSA-N 2 1 285.435 3.285 20 0 CGADMP CC(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201478492 811855598 /nfs/dbraw/zinc/85/55/98/811855598.db2.gz MYIPPBJMSUUDDX-MSOLQXFVSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201478492 811855605 /nfs/dbraw/zinc/85/56/05/811855605.db2.gz MYIPPBJMSUUDDX-MSOLQXFVSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201478432 811856616 /nfs/dbraw/zinc/85/66/16/811856616.db2.gz IXDUVUMZEIBMDM-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201478432 811856623 /nfs/dbraw/zinc/85/66/23/811856623.db2.gz IXDUVUMZEIBMDM-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CC[C@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201501159 811872344 /nfs/dbraw/zinc/87/23/44/811872344.db2.gz HEIJNQOKYSZDQP-SOUVJXGZSA-N 2 1 278.465 3.158 20 0 CGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201501159 811872355 /nfs/dbraw/zinc/87/23/55/811872355.db2.gz HEIJNQOKYSZDQP-SOUVJXGZSA-N 2 1 278.465 3.158 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201501159 811872363 /nfs/dbraw/zinc/87/23/63/811872363.db2.gz HEIJNQOKYSZDQP-SOUVJXGZSA-N 2 1 278.465 3.158 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201501159 811872369 /nfs/dbraw/zinc/87/23/69/811872369.db2.gz HEIJNQOKYSZDQP-SOUVJXGZSA-N 2 1 278.465 3.158 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201559607 811903649 /nfs/dbraw/zinc/90/36/49/811903649.db2.gz MAIFZMSJHHVVPJ-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201559607 811903652 /nfs/dbraw/zinc/90/36/52/811903652.db2.gz MAIFZMSJHHVVPJ-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201559607 811903655 /nfs/dbraw/zinc/90/36/55/811903655.db2.gz MAIFZMSJHHVVPJ-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)CC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001201614222 811921477 /nfs/dbraw/zinc/92/14/77/811921477.db2.gz FYVWNLAPHBFATI-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001201623679 811922500 /nfs/dbraw/zinc/92/25/00/811922500.db2.gz CRYPFXSQDXWWMD-MRXNPFEDSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201641064 811929034 /nfs/dbraw/zinc/92/90/34/811929034.db2.gz IXIUDVMGLOSNIH-UHFFFAOYSA-N 2 1 299.418 3.075 20 0 CGADMP CCC[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201641064 811929037 /nfs/dbraw/zinc/92/90/37/811929037.db2.gz IXIUDVMGLOSNIH-UHFFFAOYSA-N 2 1 299.418 3.075 20 0 CGADMP CCC[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001201641064 811929042 /nfs/dbraw/zinc/92/90/42/811929042.db2.gz IXIUDVMGLOSNIH-UHFFFAOYSA-N 2 1 299.418 3.075 20 0 CGADMP CCC[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001201641064 811929046 /nfs/dbraw/zinc/92/90/46/811929046.db2.gz IXIUDVMGLOSNIH-UHFFFAOYSA-N 2 1 299.418 3.075 20 0 CGADMP CCCCCCN1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001201753934 811959598 /nfs/dbraw/zinc/95/95/98/811959598.db2.gz GBUARLCVEYZPJD-KRWDZBQOSA-N 2 1 282.472 3.142 20 0 CGADMP CCCCCC[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001201753934 811959602 /nfs/dbraw/zinc/95/96/02/811959602.db2.gz GBUARLCVEYZPJD-KRWDZBQOSA-N 2 1 282.472 3.142 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC001203269661 812285828 /nfs/dbraw/zinc/28/58/28/812285828.db2.gz AJOUOKOVVYTSIC-UHFFFAOYSA-N 2 1 281.359 3.012 20 0 CGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccco1 ZINC001203285382 812291329 /nfs/dbraw/zinc/29/13/29/812291329.db2.gz JKMYWTUDOBGVIQ-LSDHHAIUSA-N 2 1 262.397 3.118 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccco1 ZINC001203285382 812291336 /nfs/dbraw/zinc/29/13/36/812291336.db2.gz JKMYWTUDOBGVIQ-LSDHHAIUSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccco1 ZINC001203285382 812291340 /nfs/dbraw/zinc/29/13/40/812291340.db2.gz JKMYWTUDOBGVIQ-LSDHHAIUSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccco1 ZINC001203285382 812291350 /nfs/dbraw/zinc/29/13/50/812291350.db2.gz JKMYWTUDOBGVIQ-LSDHHAIUSA-N 2 1 262.397 3.118 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001203709072 812436167 /nfs/dbraw/zinc/43/61/67/812436167.db2.gz ZLESKZCWYNLQNE-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001203709072 812436170 /nfs/dbraw/zinc/43/61/70/812436170.db2.gz ZLESKZCWYNLQNE-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001204089874 812547570 /nfs/dbraw/zinc/54/75/70/812547570.db2.gz SEGCLEKQLDIHKC-CGTJXYLNSA-N 2 1 272.436 3.240 20 0 CGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccoc1 ZINC001204244245 812586303 /nfs/dbraw/zinc/58/63/03/812586303.db2.gz VCQFIWOGJHLOBG-HOTGVXAUSA-N 2 1 262.397 3.118 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccoc1 ZINC001204244245 812586308 /nfs/dbraw/zinc/58/63/08/812586308.db2.gz VCQFIWOGJHLOBG-HOTGVXAUSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC001204244245 812586314 /nfs/dbraw/zinc/58/63/14/812586314.db2.gz VCQFIWOGJHLOBG-HOTGVXAUSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccoc1 ZINC001204244245 812586317 /nfs/dbraw/zinc/58/63/17/812586317.db2.gz VCQFIWOGJHLOBG-HOTGVXAUSA-N 2 1 262.397 3.118 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)cc1 ZINC001204272127 812592287 /nfs/dbraw/zinc/59/22/87/812592287.db2.gz WUZBLCTZOBTWLW-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CC[NH+](CC)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC001204321610 812612338 /nfs/dbraw/zinc/61/23/38/812612338.db2.gz RJEYLESCHRMADQ-UHFFFAOYSA-N 2 1 299.462 3.485 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC001204506450 812659050 /nfs/dbraw/zinc/65/90/50/812659050.db2.gz CLCSFPMGYFDPGM-IRXDYDNUSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1c(F)cccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001204511335 812660744 /nfs/dbraw/zinc/66/07/44/812660744.db2.gz VBXDVRHLNHPZNA-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(-c2ccc(C[NH+](C)C)cc2)cn2cc[nH+]c12 ZINC001204638804 812697477 /nfs/dbraw/zinc/69/74/77/812697477.db2.gz PRYBWSZLSRRWGR-UHFFFAOYSA-N 2 1 265.360 3.371 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204937356 812784674 /nfs/dbraw/zinc/78/46/74/812784674.db2.gz COFKETNTYDAGGP-DOTOQJQBSA-N 2 1 284.488 3.421 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205001689 812819209 /nfs/dbraw/zinc/81/92/09/812819209.db2.gz WHBNNZNDXSYIQQ-YIEVGGLXSA-N 2 1 252.446 3.444 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2cccccc1-2 ZINC001205082160 812851806 /nfs/dbraw/zinc/85/18/06/812851806.db2.gz ARBPNNUOHBUACB-BBRMVZONSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2cccccc1-2 ZINC001205082160 812851821 /nfs/dbraw/zinc/85/18/21/812851821.db2.gz ARBPNNUOHBUACB-BBRMVZONSA-N 2 1 254.377 3.103 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001205095490 812862226 /nfs/dbraw/zinc/86/22/26/812862226.db2.gz YFIZSDQKQNNMNJ-CYBMUJFWSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCc2ccccc2C(F)(F)F)CC1 ZINC001205095490 812862232 /nfs/dbraw/zinc/86/22/32/812862232.db2.gz YFIZSDQKQNNMNJ-CYBMUJFWSA-N 2 1 286.341 3.061 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205101667 812864256 /nfs/dbraw/zinc/86/42/56/812864256.db2.gz IRRDKEJZZMZEAI-GFCCVEGCSA-N 2 1 252.427 3.014 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccncc2)CC1 ZINC001205117758 812874101 /nfs/dbraw/zinc/87/41/01/812874101.db2.gz UKBUVXHCCWPUIH-QGZVFWFLSA-N 2 1 281.403 3.062 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001205117832 812874519 /nfs/dbraw/zinc/87/45/19/812874519.db2.gz WSEUIUAIRODRKG-QGZVFWFLSA-N 2 1 299.393 3.201 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117123 812874689 /nfs/dbraw/zinc/87/46/89/812874689.db2.gz LEQWKPUYCBQTJO-INIZCTEOSA-N 2 1 276.424 3.095 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001205124205 812876564 /nfs/dbraw/zinc/87/65/64/812876564.db2.gz LKIXLYWRDVHWGC-OAHLLOKOSA-N 2 1 299.393 3.201 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(C)c1OC(C)C ZINC001205124755 812877820 /nfs/dbraw/zinc/87/78/20/812877820.db2.gz ZRSAAPNLDMZPQY-QGZVFWFLSA-N 2 1 290.451 3.404 20 0 CGADMP Cc1ccc(-c2cncc(C[N@H+]3CCC[C@H]([NH3+])CC3)c2)cc1 ZINC001205124486 812878113 /nfs/dbraw/zinc/87/81/13/812878113.db2.gz SICMTHCBAZFHIX-IBGZPJMESA-N 2 1 295.430 3.370 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)Cc2ccccc21 ZINC001205164986 812894374 /nfs/dbraw/zinc/89/43/74/812894374.db2.gz ZDXCDQDUYFIEDN-OAHLLOKOSA-N 2 1 292.426 3.452 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265654 812922344 /nfs/dbraw/zinc/92/23/44/812922344.db2.gz QMSGYFQUWJXVMG-KRWDZBQOSA-N 2 1 271.408 3.180 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3cccnc3cc2F)CC1 ZINC001205273903 812926052 /nfs/dbraw/zinc/92/60/52/812926052.db2.gz RDXQVJZJWYOZNV-QGZVFWFLSA-N 2 1 287.382 3.077 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001205288981 812933128 /nfs/dbraw/zinc/93/31/28/812933128.db2.gz QVZGNQNEJXYYRD-KRWDZBQOSA-N 2 1 285.391 3.045 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC001205289142 812933536 /nfs/dbraw/zinc/93/35/36/812933536.db2.gz TUILHDGMWXJBPK-QGZVFWFLSA-N 2 1 258.409 3.267 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001205288683 812933714 /nfs/dbraw/zinc/93/37/14/812933714.db2.gz NIQAFRDOWUXWRV-INIZCTEOSA-N 2 1 275.371 3.010 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001205288683 812933719 /nfs/dbraw/zinc/93/37/19/812933719.db2.gz NIQAFRDOWUXWRV-INIZCTEOSA-N 2 1 275.371 3.010 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205296401 812937394 /nfs/dbraw/zinc/93/73/94/812937394.db2.gz OJBWLNGECPEVMQ-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205296401 812937398 /nfs/dbraw/zinc/93/73/98/812937398.db2.gz OJBWLNGECPEVMQ-QGZVFWFLSA-N 2 1 294.414 3.316 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C[C@H]1C[NH3+] ZINC001205303164 812940800 /nfs/dbraw/zinc/94/08/00/812940800.db2.gz ACLYJUKKBYJGSE-DZGCQCFKSA-N 2 1 286.394 3.396 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3sccc32)C[C@@H]1C[NH3+] ZINC001205318547 812950225 /nfs/dbraw/zinc/95/02/25/812950225.db2.gz VWLNGTJRPVJFQO-OCCSQVGLSA-N 2 1 274.433 3.318 20 0 CGADMP COc1ccc2cc(C[N@@H+]3CC[NH2+]CC[C@H]3C)ccc2c1 ZINC001205326052 812956532 /nfs/dbraw/zinc/95/65/32/812956532.db2.gz UCZGQHRZEAAWNH-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[NH2+]CC[C@H]3C)ccc2c1 ZINC001205326052 812956534 /nfs/dbraw/zinc/95/65/34/812956534.db2.gz UCZGQHRZEAAWNH-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1CCCCCOCc1ccccc1 ZINC001205325970 812956646 /nfs/dbraw/zinc/95/66/46/812956646.db2.gz SJJYQAGTMSUBRO-KRWDZBQOSA-N 2 1 290.451 3.057 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001205539071 812996297 /nfs/dbraw/zinc/99/62/97/812996297.db2.gz SBXSRXSEXRVPFB-HNNXBMFYSA-N 2 1 256.409 3.110 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205560062 813003156 /nfs/dbraw/zinc/00/31/56/813003156.db2.gz YSDXJLFEFWDIND-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(C)c1 ZINC001205603575 813019935 /nfs/dbraw/zinc/01/99/35/813019935.db2.gz QMWDVYNJYMGJAR-GDBMZVCRSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC[C@H]1C[NH3+] ZINC001205617148 813025630 /nfs/dbraw/zinc/02/56/30/813025630.db2.gz HTZVCVIYBKJYBV-KSSFIOAISA-N 2 1 298.430 3.352 20 0 CGADMP Cc1cccc2c(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c[nH]c21 ZINC001205615773 813026907 /nfs/dbraw/zinc/02/69/07/813026907.db2.gz AVSVAVWIEPKYNZ-ZFWWWQNUSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)CC[C@@H]1C[NH3+] ZINC001205616592 813027274 /nfs/dbraw/zinc/02/72/74/813027274.db2.gz GJCDLWAKGRDBBW-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@@H]1C[NH3+] ZINC001205627545 813032151 /nfs/dbraw/zinc/03/21/51/813032151.db2.gz QKVZLCLCRGGOLL-SWLSCSKDSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)CC[C@@H]1C[NH3+] ZINC001205626862 813032850 /nfs/dbraw/zinc/03/28/50/813032850.db2.gz JXVRXEPLHCKTQB-GOEBONIOSA-N 2 1 272.436 3.371 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)CC[C@H]1C[NH3+] ZINC001205627161 813033280 /nfs/dbraw/zinc/03/32/80/813033280.db2.gz NISMYSRSJMVHPO-CABCVRRESA-N 2 1 283.419 3.042 20 0 CGADMP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(C)c1 ZINC001205628900 813033608 /nfs/dbraw/zinc/03/36/08/813033608.db2.gz XNKWIKYOIDLYFF-XJKSGUPXSA-N 2 1 290.451 3.119 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205628457 813034126 /nfs/dbraw/zinc/03/41/26/813034126.db2.gz VGJADMRLDQUVDK-ZBFHGGJFSA-N 2 1 260.425 3.056 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205628884 813034843 /nfs/dbraw/zinc/03/48/43/813034843.db2.gz XLUBLKSWCYZFHO-YPMHNXCESA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3ncsc32)CC[C@@H]1C[NH3+] ZINC001205639002 813037396 /nfs/dbraw/zinc/03/73/96/813037396.db2.gz UNOXQJMAGBSXEH-QWHCGFSZSA-N 2 1 289.448 3.103 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205639176 813037481 /nfs/dbraw/zinc/03/74/81/813037481.db2.gz XAJDLXCFCUWIFO-DZGCQCFKSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1C[NH3+] ZINC001205638710 813037893 /nfs/dbraw/zinc/03/78/93/813037893.db2.gz RGTWCUXMLZMCEJ-KSSFIOAISA-N 2 1 272.436 3.371 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)sc1C ZINC001205638938 813039120 /nfs/dbraw/zinc/03/91/20/813039120.db2.gz TVFASCKOYNEOGQ-RISCZKNCSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ncsc3c2)CC[C@H]1C[NH3+] ZINC001205638865 813039355 /nfs/dbraw/zinc/03/93/55/813039355.db2.gz SRKCRRPQKLOFMG-JSGCOSHPSA-N 2 1 289.448 3.103 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205653703 813042348 /nfs/dbraw/zinc/04/23/48/813042348.db2.gz UKQYDYXVKFUDTN-PBHICJAKSA-N 2 1 274.452 3.364 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c1 ZINC001205651250 813042442 /nfs/dbraw/zinc/04/24/42/813042442.db2.gz BQGIQBURRABZEP-KGLIPLIRSA-N 2 1 294.414 3.031 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3s2)CCC1(F)F ZINC001205763861 813069793 /nfs/dbraw/zinc/06/97/93/813069793.db2.gz SHRIXTMHPCQRNK-LBPRGKRZSA-N 2 1 296.386 3.317 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCC1(F)F ZINC001205763861 813069796 /nfs/dbraw/zinc/06/97/96/813069796.db2.gz SHRIXTMHPCQRNK-LBPRGKRZSA-N 2 1 296.386 3.317 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3ccsc3c2)CCC1(F)F ZINC001205789068 813078183 /nfs/dbraw/zinc/07/81/83/813078183.db2.gz VHNYMNQYYWDJQA-CYBMUJFWSA-N 2 1 296.386 3.317 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ccsc3c2)CCC1(F)F ZINC001205789068 813078191 /nfs/dbraw/zinc/07/81/91/813078191.db2.gz VHNYMNQYYWDJQA-CYBMUJFWSA-N 2 1 296.386 3.317 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205794832 813079477 /nfs/dbraw/zinc/07/94/77/813079477.db2.gz BRCITFWRCXCCPS-HNNXBMFYSA-N 2 1 282.378 3.226 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205794832 813079484 /nfs/dbraw/zinc/07/94/84/813079484.db2.gz BRCITFWRCXCCPS-HNNXBMFYSA-N 2 1 282.378 3.226 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205803313 813083636 /nfs/dbraw/zinc/08/36/36/813083636.db2.gz FYPGHMBUVQRKTR-ZFWWWQNUSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205803313 813083644 /nfs/dbraw/zinc/08/36/44/813083644.db2.gz FYPGHMBUVQRKTR-ZFWWWQNUSA-N 2 1 271.408 3.036 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205802321 813084299 /nfs/dbraw/zinc/08/42/99/813084299.db2.gz BKZNWONRLXFEPB-WMLDXEAASA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205802321 813084309 /nfs/dbraw/zinc/08/43/09/813084309.db2.gz BKZNWONRLXFEPB-WMLDXEAASA-N 2 1 260.425 3.369 20 0 CGADMP C[C@]1(F)CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001205851935 813108392 /nfs/dbraw/zinc/10/83/92/813108392.db2.gz DCLCLZCDKQBUDJ-HNNXBMFYSA-N 2 1 282.428 3.108 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)c[nH]c2c1 ZINC001205900988 813123512 /nfs/dbraw/zinc/12/35/12/813123512.db2.gz AHBDXLWMAVLBAL-ZIAGYGMSSA-N 2 1 271.408 3.036 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901959 813124344 /nfs/dbraw/zinc/12/43/44/813124344.db2.gz GLGWDZWGJJGREJ-GDBMZVCRSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901962 813125070 /nfs/dbraw/zinc/12/50/70/813125070.db2.gz GLGWDZWGJJGREJ-ZBFHGGJFSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1C(C)C ZINC001205903597 813125953 /nfs/dbraw/zinc/12/59/53/813125953.db2.gz QGRYPVNQHOVTIL-ZBFHGGJFSA-N 2 1 290.451 3.378 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)s1 ZINC001205903765 813126343 /nfs/dbraw/zinc/12/63/43/813126343.db2.gz QZIMNULYHNDRFT-OLZOCXBDSA-N 2 1 266.454 3.260 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H]3C)cc21 ZINC001205905229 813128193 /nfs/dbraw/zinc/12/81/93/813128193.db2.gz ZKRFZJFXENCRLB-PBHICJAKSA-N 2 1 285.435 3.220 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCc1ccc(F)cc1Cl ZINC001205904921 813128318 /nfs/dbraw/zinc/12/83/18/813128318.db2.gz YMXBTTLBUDGOCZ-AAEUAGOBSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205912626 813129408 /nfs/dbraw/zinc/12/94/08/813129408.db2.gz BFWJSHUINMAGIZ-NWDGAFQWSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2c1CCCC2 ZINC001205915620 813130807 /nfs/dbraw/zinc/13/08/07/813130807.db2.gz QAVRBEZVMPRILM-ZBFHGGJFSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-n2cccc2)cc1 ZINC001205916159 813132532 /nfs/dbraw/zinc/13/25/32/813132532.db2.gz SCZRMJPOULXLPW-DOTOQJQBSA-N 2 1 283.419 3.037 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC001205982603 813151262 /nfs/dbraw/zinc/15/12/62/813151262.db2.gz MOGGEKKSNAKGDN-HLLBOEOZSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)CCC[C@H]1C[NH3+] ZINC001205983183 813152031 /nfs/dbraw/zinc/15/20/31/813152031.db2.gz OGPIBHBGIMEPJW-HIFRSBDPSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1C[N@@H+](CCCCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205980816 813152039 /nfs/dbraw/zinc/15/20/39/813152039.db2.gz AFQACISXHWIXJX-FUHWJXTLSA-N 2 1 274.452 3.316 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1C ZINC001205984618 813152533 /nfs/dbraw/zinc/15/25/33/813152533.db2.gz SOCZEGQWWOKAJT-BBRMVZONSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC001205994374 813154633 /nfs/dbraw/zinc/15/46/33/813154633.db2.gz LEFAREHYUHZEFD-GDBMZVCRSA-N 2 1 260.425 3.110 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205994435 813157055 /nfs/dbraw/zinc/15/70/55/813157055.db2.gz LMVWBUYAMOGRDW-WBVHZDCISA-N 2 1 290.451 3.282 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206004055 813161394 /nfs/dbraw/zinc/16/13/94/813161394.db2.gz PJZVUJHKDPUISM-HOTGVXAUSA-N 2 1 290.451 3.282 20 0 CGADMP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206024394 813169405 /nfs/dbraw/zinc/16/94/05/813169405.db2.gz JIVBGOXWFYHIJX-HIFRSBDPSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053348 813183416 /nfs/dbraw/zinc/18/34/16/813183416.db2.gz SMWBGNFUACPDIQ-IIDMSEBBSA-N 2 1 288.479 3.442 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccnc2)CC[C@H]1F ZINC001206174585 813225704 /nfs/dbraw/zinc/22/57/04/813225704.db2.gz OHTVTRVLTFVUDX-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccnc2)CC[C@H]1F ZINC001206174585 813225705 /nfs/dbraw/zinc/22/57/05/813225705.db2.gz OHTVTRVLTFVUDX-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206199703 813236419 /nfs/dbraw/zinc/23/64/19/813236419.db2.gz PCMNYDNXSQCOBH-GJZGRUSLSA-N 2 1 294.414 3.125 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206199703 813236422 /nfs/dbraw/zinc/23/64/22/813236422.db2.gz PCMNYDNXSQCOBH-GJZGRUSLSA-N 2 1 294.414 3.125 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc3sccc32)CC[C@@H]1F ZINC001206200142 813236943 /nfs/dbraw/zinc/23/69/43/813236943.db2.gz QQFNCAXFTSRYPL-KBPBESRZSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3sccc32)CC[C@@H]1F ZINC001206200142 813236949 /nfs/dbraw/zinc/23/69/49/813236949.db2.gz QQFNCAXFTSRYPL-KBPBESRZSA-N 2 1 278.396 3.163 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206210666 813241774 /nfs/dbraw/zinc/24/17/74/813241774.db2.gz LCYUXXFRNPAJMS-IRXDYDNUSA-N 2 1 294.414 3.043 20 0 CGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001206276109 813266912 /nfs/dbraw/zinc/26/69/12/813266912.db2.gz BZPMINYWKXIABL-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001206276109 813266916 /nfs/dbraw/zinc/26/69/16/813266916.db2.gz BZPMINYWKXIABL-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ncccc3c2)CC1 ZINC001206305158 813281283 /nfs/dbraw/zinc/28/12/83/813281283.db2.gz UYVLUHCYFQVOKT-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206310911 813284863 /nfs/dbraw/zinc/28/48/63/813284863.db2.gz FFOSOJIAIGJPMB-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)s1 ZINC001206319001 813287574 /nfs/dbraw/zinc/28/75/74/813287574.db2.gz XGQRQPNGLXJRRV-HNNXBMFYSA-N 2 1 266.454 3.261 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318699 813287607 /nfs/dbraw/zinc/28/76/07/813287607.db2.gz STUHXSOURFUCGV-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206337257 813293872 /nfs/dbraw/zinc/29/38/72/813293872.db2.gz RAANLWIRUZGFNU-QGZVFWFLSA-N 2 1 277.456 3.263 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206337153 813294194 /nfs/dbraw/zinc/29/41/94/813294194.db2.gz RAANLWIRUZGFNU-KRWDZBQOSA-N 2 1 277.456 3.263 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2Cl)C1 ZINC001206540116 813342988 /nfs/dbraw/zinc/34/29/88/813342988.db2.gz AFEAFCLARHIZPE-OAHLLOKOSA-N 2 1 266.816 3.291 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206541966 813343564 /nfs/dbraw/zinc/34/35/64/813343564.db2.gz OJSUOWWBMAQJSK-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1C ZINC001206541006 813343885 /nfs/dbraw/zinc/34/38/85/813343885.db2.gz FEBYBAMIQIQSAV-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001206550118 813348999 /nfs/dbraw/zinc/34/89/99/813348999.db2.gz VKNZOKPZULQKJR-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c12 ZINC001206574205 813359346 /nfs/dbraw/zinc/35/93/46/813359346.db2.gz QLXGZHHLOFGDMZ-LJQANCHMSA-N 2 1 297.446 3.494 20 0 CGADMP Cc1ccc(F)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206582703 813362893 /nfs/dbraw/zinc/36/28/93/813362893.db2.gz ONHBCAZBIHAZBL-MRXNPFEDSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206583038 813364129 /nfs/dbraw/zinc/36/41/29/813364129.db2.gz RXNPMYYGMRAVGJ-MRXNPFEDSA-N 2 1 282.378 3.317 20 0 CGADMP COc1ccc(F)cc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206588527 813366250 /nfs/dbraw/zinc/36/62/50/813366250.db2.gz AMMCDBPXVVOZGP-INIZCTEOSA-N 2 1 294.414 3.187 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001206606308 813372198 /nfs/dbraw/zinc/37/21/98/813372198.db2.gz KCWGODMASAERIF-HRCADAONSA-N 2 1 250.430 3.040 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@H](C[NH3+])C2)o1 ZINC001206606141 813372551 /nfs/dbraw/zinc/37/25/51/813372551.db2.gz FMIPFBHNMNHTDJ-DZGCQCFKSA-N 2 1 264.413 3.142 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206615112 813375980 /nfs/dbraw/zinc/37/59/80/813375980.db2.gz CMPIXLMFVSVTNO-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206615112 813375985 /nfs/dbraw/zinc/37/59/85/813375985.db2.gz CMPIXLMFVSVTNO-LBPRGKRZSA-N 2 1 284.806 3.348 20 0 CGADMP CCCc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)s1 ZINC001206616040 813376342 /nfs/dbraw/zinc/37/63/42/813376342.db2.gz LSVCCJDKQCJTJI-CYBMUJFWSA-N 2 1 266.454 3.261 20 0 CGADMP CCc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1Cl ZINC001206640668 813384149 /nfs/dbraw/zinc/38/41/49/813384149.db2.gz KOCLZVXSWSFOKT-CQSZACIVSA-N 2 1 280.843 3.463 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206761059 813425879 /nfs/dbraw/zinc/42/58/79/813425879.db2.gz SIISTWDTUGEBMC-HRCADAONSA-N 2 1 252.446 3.428 20 0 CGADMP CCCc1cccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001207175240 813503988 /nfs/dbraw/zinc/50/39/88/813503988.db2.gz RVNGJWKCOYEFJE-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001207175240 813503991 /nfs/dbraw/zinc/50/39/91/813503991.db2.gz RVNGJWKCOYEFJE-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001207175240 813503998 /nfs/dbraw/zinc/50/39/98/813503998.db2.gz RVNGJWKCOYEFJE-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001207175240 813504006 /nfs/dbraw/zinc/50/40/06/813504006.db2.gz RVNGJWKCOYEFJE-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001207175240 813504012 /nfs/dbraw/zinc/50/40/12/813504012.db2.gz RVNGJWKCOYEFJE-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](Cc1ccccc1)C1CC1 ZINC001207282633 813533636 /nfs/dbraw/zinc/53/36/36/813533636.db2.gz MNMLLKYZQABGPV-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP CSCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294990 813538000 /nfs/dbraw/zinc/53/80/00/813538000.db2.gz YOLURTZXLZFJGJ-UHFFFAOYSA-N 2 1 292.492 3.193 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001207350081 813547455 /nfs/dbraw/zinc/54/74/55/813547455.db2.gz ZHUQCSPYYAOZKG-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001207350081 813547463 /nfs/dbraw/zinc/54/74/63/813547463.db2.gz ZHUQCSPYYAOZKG-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001207350081 813547470 /nfs/dbraw/zinc/54/74/70/813547470.db2.gz ZHUQCSPYYAOZKG-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001207399064 813556444 /nfs/dbraw/zinc/55/64/44/813556444.db2.gz XRQIQURJEZMRQW-KRWDZBQOSA-N 2 1 264.457 3.230 20 0 CGADMP Clc1ccccc1[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207438231 813565227 /nfs/dbraw/zinc/56/52/27/813565227.db2.gz ZQLBZJVTSAGTAX-AWEZNQCLSA-N 2 1 278.827 3.129 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207596663 813606910 /nfs/dbraw/zinc/60/69/10/813606910.db2.gz CDMNKSKJPGBCSI-NVXWUHKLSA-N 2 1 292.854 3.156 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001208091670 813692038 /nfs/dbraw/zinc/69/20/38/813692038.db2.gz RCUFKJHBPULSIF-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001208113182 813695777 /nfs/dbraw/zinc/69/57/77/813695777.db2.gz DWLNVZRKNOCFGT-GOSISDBHSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001208115760 813696312 /nfs/dbraw/zinc/69/63/12/813696312.db2.gz MWLBRRUTWBMYAY-UHFFFAOYSA-N 2 1 294.389 3.055 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001208170953 813723417 /nfs/dbraw/zinc/72/34/17/813723417.db2.gz VGOQONONVOHNID-JKSUJKDBSA-N 2 1 262.441 3.149 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001208195896 813741716 /nfs/dbraw/zinc/74/17/16/813741716.db2.gz HQUVVTRYCSKENF-YKZUCCNHSA-N 2 1 264.457 3.397 20 0 CGADMP CC/C=C\CCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001208195896 813741720 /nfs/dbraw/zinc/74/17/20/813741720.db2.gz HQUVVTRYCSKENF-YKZUCCNHSA-N 2 1 264.457 3.397 20 0 CGADMP CC/C=C\CCCCC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001208195896 813741725 /nfs/dbraw/zinc/74/17/25/813741725.db2.gz HQUVVTRYCSKENF-YKZUCCNHSA-N 2 1 264.457 3.397 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)CC1 ZINC001208603861 813770885 /nfs/dbraw/zinc/77/08/85/813770885.db2.gz HLBZGNBYOPDSIQ-KOMQPUFPSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001208598557 813771516 /nfs/dbraw/zinc/77/15/16/813771516.db2.gz SIBUCWGDEHSBPA-KRWDZBQOSA-N 2 1 290.426 3.347 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C(C)(C)Cc1ccccc1 ZINC001208618291 813777637 /nfs/dbraw/zinc/77/76/37/813777637.db2.gz VKQCASNOOCBZBW-QGZVFWFLSA-N 2 1 274.452 3.281 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C(C)(C)Cc1ccccc1 ZINC001208618291 813777641 /nfs/dbraw/zinc/77/76/41/813777641.db2.gz VKQCASNOOCBZBW-QGZVFWFLSA-N 2 1 274.452 3.281 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C(C)(C)Cc1ccccc1 ZINC001208618291 813777645 /nfs/dbraw/zinc/77/76/45/813777645.db2.gz VKQCASNOOCBZBW-QGZVFWFLSA-N 2 1 274.452 3.281 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)Cc1ccccc1 ZINC001208618291 813777650 /nfs/dbraw/zinc/77/76/50/813777650.db2.gz VKQCASNOOCBZBW-QGZVFWFLSA-N 2 1 274.452 3.281 20 0 CGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001208697819 813802610 /nfs/dbraw/zinc/80/26/10/813802610.db2.gz AJNURPUWPSZAST-MRXNPFEDSA-N 2 1 274.408 3.423 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2ccc(F)cc2)CC1 ZINC001208770084 813837286 /nfs/dbraw/zinc/83/72/86/813837286.db2.gz JBDJKEPLCRTBLP-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccc(F)cc2)CC1 ZINC001208770084 813837295 /nfs/dbraw/zinc/83/72/95/813837295.db2.gz JBDJKEPLCRTBLP-UHFFFAOYSA-N 2 1 278.415 3.174 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208780631 813844231 /nfs/dbraw/zinc/84/42/31/813844231.db2.gz RMBFXAKJUIKETI-HDICACEKSA-N 2 1 298.474 3.382 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208780631 813844239 /nfs/dbraw/zinc/84/42/39/813844239.db2.gz RMBFXAKJUIKETI-HDICACEKSA-N 2 1 298.474 3.382 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208780631 813844247 /nfs/dbraw/zinc/84/42/47/813844247.db2.gz RMBFXAKJUIKETI-HDICACEKSA-N 2 1 298.474 3.382 20 0 CGADMP C1=CO[C@H](C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001208881038 813879547 /nfs/dbraw/zinc/87/95/47/813879547.db2.gz TXTVXLRAEDWKJW-SJORKVTESA-N 2 1 278.440 3.020 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3C[C@H]4CC[C@@H]3C4)C2)cc1 ZINC001208940451 813903078 /nfs/dbraw/zinc/90/30/78/813903078.db2.gz RVZUTGJXBDTWTB-GBESFXJTSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@H]4CC[C@@H]3C4)C2)cc1 ZINC001208940451 813903086 /nfs/dbraw/zinc/90/30/86/813903086.db2.gz RVZUTGJXBDTWTB-GBESFXJTSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3C[C@H]4CC[C@@H]3C4)C2)cc1 ZINC001208940451 813903091 /nfs/dbraw/zinc/90/30/91/813903091.db2.gz RVZUTGJXBDTWTB-GBESFXJTSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3C[C@H]4CC[C@@H]3C4)C2)cc1 ZINC001208940451 813903098 /nfs/dbraw/zinc/90/30/98/813903098.db2.gz RVZUTGJXBDTWTB-GBESFXJTSA-N 2 1 284.447 3.383 20 0 CGADMP FC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208946529 813906934 /nfs/dbraw/zinc/90/69/34/813906934.db2.gz HSOVTUCJONQEKJ-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP FC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208946529 813906942 /nfs/dbraw/zinc/90/69/42/813906942.db2.gz HSOVTUCJONQEKJ-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP FC[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208946529 813906949 /nfs/dbraw/zinc/90/69/49/813906949.db2.gz HSOVTUCJONQEKJ-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP FC[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208946529 813906957 /nfs/dbraw/zinc/90/69/57/813906957.db2.gz HSOVTUCJONQEKJ-ZWKOTPCHSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H]1C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957874 813910901 /nfs/dbraw/zinc/91/09/01/813910901.db2.gz MMFRMTKUOCTMSL-SJLPKXTDSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957874 813910906 /nfs/dbraw/zinc/91/09/06/813910906.db2.gz MMFRMTKUOCTMSL-SJLPKXTDSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957874 813910909 /nfs/dbraw/zinc/91/09/09/813910909.db2.gz MMFRMTKUOCTMSL-SJLPKXTDSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957874 813910912 /nfs/dbraw/zinc/91/09/12/813910912.db2.gz MMFRMTKUOCTMSL-SJLPKXTDSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1C ZINC001209448087 814045969 /nfs/dbraw/zinc/04/59/69/814045969.db2.gz MLZIYBAPXVWBGE-JKSUJKDBSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC001209448023 814046318 /nfs/dbraw/zinc/04/63/18/814046318.db2.gz LBQUJLLUTACBBF-OAHLLOKOSA-N 2 1 256.409 3.077 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(OC)c1 ZINC001209450791 814048525 /nfs/dbraw/zinc/04/85/25/814048525.db2.gz LUHZQFLWFGJTDK-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(OC)c1 ZINC001209450791 814048527 /nfs/dbraw/zinc/04/85/27/814048527.db2.gz LUHZQFLWFGJTDK-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP Cc1ccc2[nH]cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC001209500184 814065572 /nfs/dbraw/zinc/06/55/72/814065572.db2.gz SRSDJUSLZIOFKM-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)c2c1 ZINC001209500184 814065575 /nfs/dbraw/zinc/06/55/75/814065575.db2.gz SRSDJUSLZIOFKM-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)c2c1 ZINC001209500184 814065580 /nfs/dbraw/zinc/06/55/80/814065580.db2.gz SRSDJUSLZIOFKM-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(C)cc34)C[C@@H]2C1 ZINC001209500225 814065723 /nfs/dbraw/zinc/06/57/23/814065723.db2.gz UYXDYDKOTKTNNI-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(C)cc34)C[C@@H]2C1 ZINC001209500225 814065725 /nfs/dbraw/zinc/06/57/25/814065725.db2.gz UYXDYDKOTKTNNI-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C)cc34)C[C@@H]2C1 ZINC001209500225 814065730 /nfs/dbraw/zinc/06/57/30/814065730.db2.gz UYXDYDKOTKTNNI-CALCHBBNSA-N 2 1 297.446 3.250 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH+]ccc1N ZINC001209735993 814124494 /nfs/dbraw/zinc/12/44/94/814124494.db2.gz BZRUPRXVHDQMGE-KRWDZBQOSA-N 2 1 267.376 3.004 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209735993 814124500 /nfs/dbraw/zinc/12/45/00/814124500.db2.gz BZRUPRXVHDQMGE-KRWDZBQOSA-N 2 1 267.376 3.004 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476683 814479174 /nfs/dbraw/zinc/47/91/74/814479174.db2.gz XMAFDLDKLUWNLA-JKSUJKDBSA-N 2 1 284.488 3.292 20 0 CGADMP C[NH2+]Cc1cccc(Nc2cccc3[nH+]cn(C)c32)c1F ZINC001216226627 815745589 /nfs/dbraw/zinc/74/55/89/815745589.db2.gz UBNFXFKULPXJGF-UHFFFAOYSA-N 2 1 284.338 3.175 20 0 CGADMP c1coc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222159943 816364037 /nfs/dbraw/zinc/36/40/37/816364037.db2.gz AIBFKDGHNGFHGQ-MRXNPFEDSA-N 2 1 262.397 3.025 20 0 CGADMP c1coc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222159943 816364044 /nfs/dbraw/zinc/36/40/44/816364044.db2.gz AIBFKDGHNGFHGQ-MRXNPFEDSA-N 2 1 262.397 3.025 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001222238047 816383538 /nfs/dbraw/zinc/38/35/38/816383538.db2.gz ZDCJNWUZXPXSJA-GOSISDBHSA-N 2 1 272.436 3.330 20 0 CGADMP c1cc2c(cccc2C[N@@H+]2CCC[C@]23CCC[NH2+]C3)o1 ZINC001222253969 816387752 /nfs/dbraw/zinc/38/77/52/816387752.db2.gz UEKZDPKYUPMMIX-KRWDZBQOSA-N 2 1 270.376 3.151 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@]23CCC[NH2+]C3)o1 ZINC001222253969 816387759 /nfs/dbraw/zinc/38/77/59/816387759.db2.gz UEKZDPKYUPMMIX-KRWDZBQOSA-N 2 1 270.376 3.151 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222278035 816393411 /nfs/dbraw/zinc/39/34/11/816393411.db2.gz WFURUKWGRMPOIT-XIRDDKMYSA-N 2 1 290.838 3.271 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222278035 816393419 /nfs/dbraw/zinc/39/34/19/816393419.db2.gz WFURUKWGRMPOIT-XIRDDKMYSA-N 2 1 290.838 3.271 20 0 CGADMP c1cc2c(cc1C[NH+]1CCC3(CCCC[NH2+]3)CC1)CCCN2 ZINC001222297307 816400201 /nfs/dbraw/zinc/40/02/01/816400201.db2.gz CSFYGWXBPZUTOX-UHFFFAOYSA-N 2 1 299.462 3.153 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308549 816403761 /nfs/dbraw/zinc/40/37/61/816403761.db2.gz JOVKFMYLOHONAT-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222315304 816406311 /nfs/dbraw/zinc/40/63/11/816406311.db2.gz MTJZJHSUEJAQAC-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP Cn1ccc2cc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)ccc21 ZINC001222314238 816406479 /nfs/dbraw/zinc/40/64/79/816406479.db2.gz DGGLPRXNWBYJSO-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1F ZINC001222316839 816407638 /nfs/dbraw/zinc/40/76/38/816407638.db2.gz ZHUJZCLOEPCEDY-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1F ZINC001222316839 816407640 /nfs/dbraw/zinc/40/76/40/816407640.db2.gz ZHUJZCLOEPCEDY-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(C)c(C)c(C[NH+]2CC3(C2)CCC[NH2+]C3)c(C)c1C ZINC001222340443 816413155 /nfs/dbraw/zinc/41/31/55/816413155.db2.gz OXJFZDJIPPAZMF-UHFFFAOYSA-N 2 1 286.463 3.414 20 0 CGADMP c1ccn(-c2ccccc2C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222355267 816417757 /nfs/dbraw/zinc/41/77/57/816417757.db2.gz RIFACHOIPPBOHN-IBGZPJMESA-N 2 1 295.430 3.195 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222355267 816417764 /nfs/dbraw/zinc/41/77/64/816417764.db2.gz RIFACHOIPPBOHN-IBGZPJMESA-N 2 1 295.430 3.195 20 0 CGADMP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC23CCCCC3)c1 ZINC001222400848 816434293 /nfs/dbraw/zinc/43/42/93/816434293.db2.gz KNDPNKRLUXTNDI-UHFFFAOYSA-N 2 1 299.462 3.005 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422376 816440291 /nfs/dbraw/zinc/44/02/91/816440291.db2.gz UOJGEEVUVZJWOC-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP Clc1ccccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001222431840 816443607 /nfs/dbraw/zinc/44/36/07/816443607.db2.gz UDEUXIAMHRVRPD-UHFFFAOYSA-N 2 1 283.762 3.342 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620231 816479767 /nfs/dbraw/zinc/47/97/67/816479767.db2.gz HXLGXNMSJNTWHW-QFBILLFUSA-N 2 1 280.415 3.332 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ccccc12 ZINC001222623158 816481106 /nfs/dbraw/zinc/48/11/06/816481106.db2.gz DABQGQVMILRUNQ-GASCZTMLSA-N 2 1 298.405 3.410 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629798 816483873 /nfs/dbraw/zinc/48/38/73/816483873.db2.gz PGQBRIKXPIZJLE-IYBDPMFKSA-N 2 1 272.436 3.241 20 0 CGADMP C[NH+](C)CC[C@@H](OC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001224703486 816857914 /nfs/dbraw/zinc/85/79/14/816857914.db2.gz TXFCEYWMFNCJCJ-ZWKOTPCHSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cnc(F)c(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001243167970 823271143 /nfs/dbraw/zinc/27/11/43/823271143.db2.gz ZUBZADGNQSYLIA-UHFFFAOYSA-N 2 1 299.393 3.119 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)cc1 ZINC001231789949 818177249 /nfs/dbraw/zinc/17/72/49/818177249.db2.gz MUQQXRAOWHFZMO-OALUTQOASA-N 2 1 286.463 3.411 20 0 CGADMP COc1ccccc1C[N@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015332 818234100 /nfs/dbraw/zinc/23/41/00/818234100.db2.gz VPWURNNPBZBCAX-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP COc1ccccc1C[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015332 818234105 /nfs/dbraw/zinc/23/41/05/818234105.db2.gz VPWURNNPBZBCAX-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC001232248898 818293614 /nfs/dbraw/zinc/29/36/14/818293614.db2.gz CZZHDAPMVKCMCL-IRXDYDNUSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1cccc(F)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001232484190 818366692 /nfs/dbraw/zinc/36/66/92/818366692.db2.gz XEMXTCYZNQRYPB-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@@H]2C1 ZINC001232639768 818408758 /nfs/dbraw/zinc/40/87/58/818408758.db2.gz FXHQEWGFAVROPQ-KDURUIRLSA-N 2 1 298.474 3.339 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@@H]2C1 ZINC001232639768 818408761 /nfs/dbraw/zinc/40/87/61/818408761.db2.gz FXHQEWGFAVROPQ-KDURUIRLSA-N 2 1 298.474 3.339 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@@H]2C1 ZINC001232639768 818408766 /nfs/dbraw/zinc/40/87/66/818408766.db2.gz FXHQEWGFAVROPQ-KDURUIRLSA-N 2 1 298.474 3.339 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978625 818967709 /nfs/dbraw/zinc/96/77/09/818967709.db2.gz IIJHLRWMRUGLRZ-GASCZTMLSA-N 2 1 292.382 3.237 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001234978981 818970238 /nfs/dbraw/zinc/97/02/38/818970238.db2.gz MQCSRBRHUAZFQA-BHYGNILZSA-N 2 1 280.415 3.095 20 0 CGADMP Oc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001234993839 818971243 /nfs/dbraw/zinc/97/12/43/818971243.db2.gz RYJYHOPGCYRIAN-LJQANCHMSA-N 2 1 296.414 3.121 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001235001076 818974818 /nfs/dbraw/zinc/97/48/18/818974818.db2.gz SEXLGCJVOLLJFB-KRWDZBQOSA-N 2 1 286.444 3.477 20 0 CGADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCc1ccc(Cl)c(Cl)c1 ZINC001235008365 818978794 /nfs/dbraw/zinc/97/87/94/818978794.db2.gz UNZAEXHCQOEBOA-UHFFFAOYSA-N 2 1 299.245 3.349 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2CCCc1ccc(Cl)c(Cl)c1 ZINC001235008365 818978800 /nfs/dbraw/zinc/97/88/00/818978800.db2.gz UNZAEXHCQOEBOA-UHFFFAOYSA-N 2 1 299.245 3.349 20 0 CGADMP c1ccc(Cc2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235033593 818984310 /nfs/dbraw/zinc/98/43/10/818984310.db2.gz ZPHYRDRPMLLOHU-VQTJNVASSA-N 2 1 292.426 3.071 20 0 CGADMP c1ccc(Cc2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235033593 818984313 /nfs/dbraw/zinc/98/43/13/818984313.db2.gz ZPHYRDRPMLLOHU-VQTJNVASSA-N 2 1 292.426 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1C ZINC001235042571 818988182 /nfs/dbraw/zinc/98/81/82/818988182.db2.gz XQZSDYBAPFYKFX-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1F ZINC001235040337 818988586 /nfs/dbraw/zinc/98/85/86/818988586.db2.gz KQEZVOWGSVQQCD-QGZVFWFLSA-N 2 1 294.389 3.115 20 0 CGADMP Cc1cccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042647 818989173 /nfs/dbraw/zinc/98/91/73/818989173.db2.gz ZIZOVGGKYBMKSD-GOSISDBHSA-N 2 1 272.436 3.146 20 0 CGADMP Cc1csc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC001235092341 818999088 /nfs/dbraw/zinc/99/90/88/818999088.db2.gz IMUVPTOQNWBREB-UHFFFAOYSA-N 2 1 284.856 3.285 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091782 818999820 /nfs/dbraw/zinc/99/98/20/818999820.db2.gz BXPSXGFLVQLEQX-MRXNPFEDSA-N 2 1 264.457 3.444 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235103008 819002565 /nfs/dbraw/zinc/00/25/65/819002565.db2.gz PWACOOMFLBCTTN-OAHLLOKOSA-N 2 1 250.430 3.197 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110132 819006084 /nfs/dbraw/zinc/00/60/84/819006084.db2.gz JMOVGTDAQDLQFU-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP CCc1cccc(C)c1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235128836 819013773 /nfs/dbraw/zinc/01/37/73/819013773.db2.gz HWVKRLADJVAFAO-GOSISDBHSA-N 2 1 272.436 3.275 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235128836 819013781 /nfs/dbraw/zinc/01/37/81/819013781.db2.gz HWVKRLADJVAFAO-GOSISDBHSA-N 2 1 272.436 3.275 20 0 CGADMP Cc1cccc(CC[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235151980 819018199 /nfs/dbraw/zinc/01/81/99/819018199.db2.gz LBDGERBOSFZOKG-LJQANCHMSA-N 2 1 286.463 3.392 20 0 CGADMP Fc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235155504 819018802 /nfs/dbraw/zinc/01/88/02/819018802.db2.gz OWHSTAJWJUYLKR-QGZVFWFLSA-N 2 1 276.399 3.180 20 0 CGADMP CCc1ccccc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167725 819021166 /nfs/dbraw/zinc/02/11/66/819021166.db2.gz OCGGGQWSFZROFR-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167725 819021172 /nfs/dbraw/zinc/02/11/72/819021172.db2.gz OCGGGQWSFZROFR-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP Fc1cccc(CCC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235175952 819023726 /nfs/dbraw/zinc/02/37/26/819023726.db2.gz YHKZPYMALKOWHI-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235175952 819023738 /nfs/dbraw/zinc/02/37/38/819023738.db2.gz YHKZPYMALKOWHI-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCCCC13CC[NH2+]CC3)CCCN2 ZINC001235190637 819030316 /nfs/dbraw/zinc/03/03/16/819030316.db2.gz YIWOWFXIJPZOHG-UHFFFAOYSA-N 2 1 299.462 3.153 20 0 CGADMP c1ccc(C2(C[N@H+]3CCCCC34CC[NH2+]CC4)CC2)cc1 ZINC001235189870 819030369 /nfs/dbraw/zinc/03/03/69/819030369.db2.gz GCGLSDRNQNVMAQ-UHFFFAOYSA-N 2 1 284.447 3.326 20 0 CGADMP Cc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)sc1C ZINC001235191608 819032293 /nfs/dbraw/zinc/03/22/93/819032293.db2.gz SOLRIYMOTBGHQD-UHFFFAOYSA-N 2 1 278.465 3.473 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(/C=C/c4ccccc4)cc3)C[C@H]21 ZINC001235211452 819036974 /nfs/dbraw/zinc/03/69/74/819036974.db2.gz VKONIGXXKCQXSA-JEWYTVGHSA-N 2 1 290.410 3.246 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c(C)c1C ZINC001235217605 819039317 /nfs/dbraw/zinc/03/93/17/819039317.db2.gz CXXABAXRJGYTCA-MJGOQNOKSA-N 2 1 286.463 3.413 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c(C)c1C ZINC001235217605 819039323 /nfs/dbraw/zinc/03/93/23/819039323.db2.gz CXXABAXRJGYTCA-MJGOQNOKSA-N 2 1 286.463 3.413 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235253206 819049159 /nfs/dbraw/zinc/04/91/59/819049159.db2.gz CLFCROJYXAJSJG-HDEZJCGLSA-N 2 1 290.838 3.127 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235253086 819049504 /nfs/dbraw/zinc/04/95/04/819049504.db2.gz BUTFXASKGCYJIJ-HFZJXRFXSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc(C)c1OC(C)C ZINC001235256998 819053484 /nfs/dbraw/zinc/05/34/84/819053484.db2.gz VXLOQRHTAGTUEN-ULQDDVLXSA-N 2 1 288.435 3.012 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235273341 819059047 /nfs/dbraw/zinc/05/90/47/819059047.db2.gz RHVXDVXXHMQNTJ-LPHOPBHVSA-N 2 1 280.415 3.332 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235272864 819059290 /nfs/dbraw/zinc/05/92/90/819059290.db2.gz RCLDISNREYIPNZ-ROUUACIJSA-N 2 1 272.436 3.213 20 0 CGADMP C1=CC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001235422314 819093397 /nfs/dbraw/zinc/09/33/97/819093397.db2.gz BEVDNONKNSTQOP-YESZJQIVSA-N 2 1 262.441 3.054 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001235435239 819098074 /nfs/dbraw/zinc/09/80/74/819098074.db2.gz DRBHVBGLQKFSQR-UHFFFAOYSA-N 2 1 290.357 3.412 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001235679851 819139478 /nfs/dbraw/zinc/13/94/78/819139478.db2.gz OKTRJSCHIVVBKX-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001235679851 819139480 /nfs/dbraw/zinc/13/94/80/819139480.db2.gz OKTRJSCHIVVBKX-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]CC1 ZINC001235713587 819148823 /nfs/dbraw/zinc/14/88/23/819148823.db2.gz CYRHSFGQFFAECL-MRXNPFEDSA-N 2 1 276.399 3.352 20 0 CGADMP CSc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235715752 819149747 /nfs/dbraw/zinc/14/97/47/819149747.db2.gz VEGJMNJXHGMAIZ-UHFFFAOYSA-N 2 1 278.465 3.230 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC001235716947 819150692 /nfs/dbraw/zinc/15/06/92/819150692.db2.gz ONALHQUSWUWVLC-UHFFFAOYSA-N 2 1 266.454 3.132 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(C(C)(C)C)[nH]1 ZINC001235715814 819150867 /nfs/dbraw/zinc/15/08/67/819150867.db2.gz YDSAPTWWXIJJSE-UHFFFAOYSA-N 2 1 277.456 3.134 20 0 CGADMP CC1(C[N@H+]2CC[C@@H](c3ccccc3F)C2)CC[NH2+]CC1 ZINC001235724230 819153806 /nfs/dbraw/zinc/15/38/06/819153806.db2.gz DYKBQNAJIFBFGT-CQSZACIVSA-N 2 1 276.399 3.005 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001235727659 819155343 /nfs/dbraw/zinc/15/53/43/819155343.db2.gz VRIPOFBBTSWUQV-INIZCTEOSA-N 2 1 284.378 3.274 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001235749116 819160715 /nfs/dbraw/zinc/16/07/15/819160715.db2.gz HMFCKTKXINSQND-HNNXBMFYSA-N 2 1 284.378 3.273 20 0 CGADMP C[N@@H+](CCCC[NH3+])Cc1cccc(Cl)c1Cl ZINC001235791418 819169783 /nfs/dbraw/zinc/16/97/83/819169783.db2.gz QUNAHPWCLJGCEO-UHFFFAOYSA-N 2 1 261.196 3.164 20 0 CGADMP c1ccc([C@@H]2CSCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235808357 819172953 /nfs/dbraw/zinc/17/29/53/819172953.db2.gz BGHQJOAAIHMXAP-SJORKVTESA-N 2 1 290.476 3.309 20 0 CGADMP c1ccc([C@@H]2CSCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235808357 819172955 /nfs/dbraw/zinc/17/29/55/819172955.db2.gz BGHQJOAAIHMXAP-SJORKVTESA-N 2 1 290.476 3.309 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235840880 819182631 /nfs/dbraw/zinc/18/26/31/819182631.db2.gz CHPAQGYZYLUXKU-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235840880 819182637 /nfs/dbraw/zinc/18/26/37/819182637.db2.gz CHPAQGYZYLUXKU-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841875 819183802 /nfs/dbraw/zinc/18/38/02/819183802.db2.gz JGVMPEMFZKKFKV-CYBMUJFWSA-N 2 1 274.433 3.251 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]3CCCC[C@@H]31)CC[NH2+]C2 ZINC001235868150 819189405 /nfs/dbraw/zinc/18/94/05/819189405.db2.gz VBRJWNFLEZESHH-APWZRJJASA-N 2 1 284.447 3.487 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001235892242 819201530 /nfs/dbraw/zinc/20/15/30/819201530.db2.gz NIZRETJIWWZOIO-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001235892242 819201533 /nfs/dbraw/zinc/20/15/33/819201533.db2.gz NIZRETJIWWZOIO-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929317 819228107 /nfs/dbraw/zinc/22/81/07/819228107.db2.gz LPJLBUJWTOPQEH-BBWFWOEESA-N 2 1 296.499 3.149 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929115 819228220 /nfs/dbraw/zinc/22/82/20/819228220.db2.gz IFTGXLLVMVDFFA-WTFUZHRASA-N 2 1 288.479 3.134 20 0 CGADMP Cc1c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cccc1C(F)(F)F ZINC001235941611 819234840 /nfs/dbraw/zinc/23/48/40/819234840.db2.gz WEIMWQPNRKOXFN-ZIAGYGMSSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cccc1C(F)(F)F ZINC001235941611 819234847 /nfs/dbraw/zinc/23/48/47/819234847.db2.gz WEIMWQPNRKOXFN-ZIAGYGMSSA-N 2 1 298.352 3.055 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@H](C3CCCCC3)C2)CO1 ZINC001235949414 819239009 /nfs/dbraw/zinc/23/90/09/819239009.db2.gz JPDSGNCRXZIQIS-HOTGVXAUSA-N 2 1 280.456 3.003 20 0 CGADMP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@H](C3CCCCC3)C2)CO1 ZINC001235949414 819239016 /nfs/dbraw/zinc/23/90/16/819239016.db2.gz JPDSGNCRXZIQIS-HOTGVXAUSA-N 2 1 280.456 3.003 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235950189 819239062 /nfs/dbraw/zinc/23/90/62/819239062.db2.gz UHVABTIWMBPRAH-AWEZNQCLSA-N 2 1 296.414 3.491 20 0 CGADMP CC1=CC[C@H](CC[N@H+](C)C[C@H]2CCC[NH2+]C2)C1(C)C ZINC001235951399 819241990 /nfs/dbraw/zinc/24/19/90/819241990.db2.gz RUVCJRJKIKLVRM-JKSUJKDBSA-N 2 1 264.457 3.300 20 0 CGADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001235960030 819246816 /nfs/dbraw/zinc/24/68/16/819246816.db2.gz SQIXMUZMBKVTBP-ALXJQNPVSA-N 2 1 284.447 3.168 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)C/C=C/c1ccccc1 ZINC001235960249 819247388 /nfs/dbraw/zinc/24/73/88/819247388.db2.gz QFQMPNGDBJETGN-NZJBMZQBSA-N 2 1 294.389 3.122 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001235960249 819247395 /nfs/dbraw/zinc/24/73/95/819247395.db2.gz QFQMPNGDBJETGN-NZJBMZQBSA-N 2 1 294.389 3.122 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960724 819248962 /nfs/dbraw/zinc/24/89/62/819248962.db2.gz XSMBGVBYDSDIEX-JJLQDPRZSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960724 819248967 /nfs/dbraw/zinc/24/89/67/819248967.db2.gz XSMBGVBYDSDIEX-JJLQDPRZSA-N 2 1 298.352 3.183 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001235961491 819249847 /nfs/dbraw/zinc/24/98/47/819249847.db2.gz GJWZBGGTUFEBTQ-VMPITWQZSA-N 2 1 266.388 3.291 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)CC[C@@H]1CCCC[NH2+]1 ZINC001235963846 819252841 /nfs/dbraw/zinc/25/28/41/819252841.db2.gz WLCYDLRKZLHIIQ-JEJOPICUSA-N 2 1 258.409 3.164 20 0 CGADMP C[N@H+](C/C=C/c1ccccc1)CC[C@@H]1CCCC[NH2+]1 ZINC001235963846 819252848 /nfs/dbraw/zinc/25/28/48/819252848.db2.gz WLCYDLRKZLHIIQ-JEJOPICUSA-N 2 1 258.409 3.164 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235981556 819258148 /nfs/dbraw/zinc/25/81/48/819258148.db2.gz WTPDZPQUKULVBJ-IUODEOHRSA-N 2 1 299.245 3.349 20 0 CGADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235981556 819258155 /nfs/dbraw/zinc/25/81/55/819258155.db2.gz WTPDZPQUKULVBJ-IUODEOHRSA-N 2 1 299.245 3.349 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(C)c1C ZINC001235996923 819265118 /nfs/dbraw/zinc/26/51/18/819265118.db2.gz YROFFBZEQLLVGX-SJLPKXTDSA-N 2 1 272.436 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(C)c1C ZINC001235996923 819265124 /nfs/dbraw/zinc/26/51/24/819265124.db2.gz YROFFBZEQLLVGX-SJLPKXTDSA-N 2 1 272.436 3.152 20 0 CGADMP CC[N@H+](Cc1cccc2nc(C)ccc12)[C@H]1CCC[NH2+]C1 ZINC001236007737 819271843 /nfs/dbraw/zinc/27/18/43/819271843.db2.gz BAZFPJMJRINJIZ-INIZCTEOSA-N 2 1 283.419 3.117 20 0 CGADMP CC[N@@H+](Cc1cccc2nc(C)ccc12)[C@H]1CCC[NH2+]C1 ZINC001236007737 819271848 /nfs/dbraw/zinc/27/18/48/819271848.db2.gz BAZFPJMJRINJIZ-INIZCTEOSA-N 2 1 283.419 3.117 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236066807 819298465 /nfs/dbraw/zinc/29/84/65/819298465.db2.gz KWNAAVMLMSYONF-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C)o3)cc2)C1 ZINC001236068952 819300001 /nfs/dbraw/zinc/30/00/01/819300001.db2.gz ZHOIHKMYFJAJDW-INIZCTEOSA-N 2 1 284.403 3.296 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236072904 819301683 /nfs/dbraw/zinc/30/16/83/819301683.db2.gz YOXDTTHWFRAJQC-CQSZACIVSA-N 2 1 278.399 3.237 20 0 CGADMP Fc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001236093286 819311593 /nfs/dbraw/zinc/31/15/93/819311593.db2.gz JURJWSVPSHYSPX-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236169831 819354076 /nfs/dbraw/zinc/35/40/76/819354076.db2.gz PMCAMFKBFPFIQJ-IAGOWNOFSA-N 2 1 262.441 3.492 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236169831 819354079 /nfs/dbraw/zinc/35/40/79/819354079.db2.gz PMCAMFKBFPFIQJ-IAGOWNOFSA-N 2 1 262.441 3.492 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(F)cc1OC)C1CC[NH2+]CC1 ZINC001236184372 819360445 /nfs/dbraw/zinc/36/04/45/819360445.db2.gz PBUPZXZFHHJDCV-UHFFFAOYSA-N 2 1 294.414 3.107 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(F)cc1OC)C1CC[NH2+]CC1 ZINC001236184372 819360453 /nfs/dbraw/zinc/36/04/53/819360453.db2.gz PBUPZXZFHHJDCV-UHFFFAOYSA-N 2 1 294.414 3.107 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236188674 819361635 /nfs/dbraw/zinc/36/16/35/819361635.db2.gz CDMHWVOXGVOODX-SUMWQHHRSA-N 2 1 269.392 3.057 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236188674 819361640 /nfs/dbraw/zinc/36/16/40/819361640.db2.gz CDMHWVOXGVOODX-SUMWQHHRSA-N 2 1 269.392 3.057 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001236188666 819362159 /nfs/dbraw/zinc/36/21/59/819362159.db2.gz CDMHWVOXGVOODX-DYVFJYSZSA-N 2 1 269.392 3.057 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001236188666 819362165 /nfs/dbraw/zinc/36/21/65/819362165.db2.gz CDMHWVOXGVOODX-DYVFJYSZSA-N 2 1 269.392 3.057 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236213851 819375559 /nfs/dbraw/zinc/37/55/59/819375559.db2.gz PCFANOCGSOWACN-NVXWUHKLSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236213851 819375564 /nfs/dbraw/zinc/37/55/64/819375564.db2.gz PCFANOCGSOWACN-NVXWUHKLSA-N 2 1 271.408 3.178 20 0 CGADMP CCc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(CC)c1O ZINC001236214786 819378438 /nfs/dbraw/zinc/37/84/38/819378438.db2.gz FFBBHHCHSRYXCE-IAGOWNOFSA-N 2 1 290.451 3.219 20 0 CGADMP CCc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(CC)c1O ZINC001236214786 819378446 /nfs/dbraw/zinc/37/84/46/819378446.db2.gz FFBBHHCHSRYXCE-IAGOWNOFSA-N 2 1 290.451 3.219 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216445 819380150 /nfs/dbraw/zinc/38/01/50/819380150.db2.gz KVHUUTPQJVYGIN-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216445 819380156 /nfs/dbraw/zinc/38/01/56/819380156.db2.gz KVHUUTPQJVYGIN-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP C[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218498 819383775 /nfs/dbraw/zinc/38/37/75/819383775.db2.gz SINUQJPPLJSUJY-DLBZAZTESA-N 2 1 258.409 3.266 20 0 CGADMP C[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218498 819383779 /nfs/dbraw/zinc/38/37/79/819383779.db2.gz SINUQJPPLJSUJY-DLBZAZTESA-N 2 1 258.409 3.266 20 0 CGADMP CCn1ccc2ccc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc21 ZINC001236218669 819383827 /nfs/dbraw/zinc/38/38/27/819383827.db2.gz SUEQLBIPWGEQLP-DLBZAZTESA-N 2 1 285.435 3.363 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc21 ZINC001236218669 819383831 /nfs/dbraw/zinc/38/38/31/819383831.db2.gz SUEQLBIPWGEQLP-DLBZAZTESA-N 2 1 285.435 3.363 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217892 819384018 /nfs/dbraw/zinc/38/40/18/819384018.db2.gz QPUVKVSDWWMZRG-RTBURBONSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217892 819384023 /nfs/dbraw/zinc/38/40/23/819384023.db2.gz QPUVKVSDWWMZRG-RTBURBONSA-N 2 1 295.430 3.450 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(F)c1F ZINC001236241473 819401088 /nfs/dbraw/zinc/40/10/88/819401088.db2.gz RQXMFNQUDFHVNA-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP c1c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001236309008 819418539 /nfs/dbraw/zinc/41/85/39/819418539.db2.gz ZSSTVGGTTXIQBL-UKRRQHHQSA-N 2 1 290.476 3.406 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1C ZINC001236321354 819424979 /nfs/dbraw/zinc/42/49/79/819424979.db2.gz IRHQZGXLMRLJRJ-CALCHBBNSA-N 2 1 272.436 3.043 20 0 CGADMP COCC[N@H+](C[C@@H](C)CCC=C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236328330 819426851 /nfs/dbraw/zinc/42/68/51/819426851.db2.gz PESBCMRBXZTCMC-IRXDYDNUSA-N 2 1 282.472 3.069 20 0 CGADMP COCC[N@@H+](C[C@@H](C)CCC=C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236328330 819426855 /nfs/dbraw/zinc/42/68/55/819426855.db2.gz PESBCMRBXZTCMC-IRXDYDNUSA-N 2 1 282.472 3.069 20 0 CGADMP CCC(=O)C(C)(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371270 819439969 /nfs/dbraw/zinc/43/99/69/819439969.db2.gz JNAOWZCYAPBZPH-HNNXBMFYSA-N 2 1 294.483 3.236 20 0 CGADMP CS[C@H](C)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372605 819441397 /nfs/dbraw/zinc/44/13/97/819441397.db2.gz QWZGXVUYZYDYSY-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP S=C1C=COC1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236377212 819443199 /nfs/dbraw/zinc/44/31/99/819443199.db2.gz YJIRLDMUHGGMNA-ZDUSSCGKSA-N 2 1 294.464 3.313 20 0 CGADMP Fc1ccc(C[N@@H+](CCC2CC2)CC2CC[NH2+]CC2)cc1 ZINC001236382685 819444128 /nfs/dbraw/zinc/44/41/28/819444128.db2.gz PGCKRVGQYLKYKJ-UHFFFAOYSA-N 2 1 290.426 3.427 20 0 CGADMP CC[N@@H+](CCCC1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC001236407547 819455035 /nfs/dbraw/zinc/45/50/35/819455035.db2.gz GNRWVIRXADXQAJ-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CC(C)(C)C[N@@H+](CCc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001236454349 819485219 /nfs/dbraw/zinc/48/52/19/819485219.db2.gz KDNZLYGYDHDEAF-UHFFFAOYSA-N 2 1 292.442 3.468 20 0 CGADMP Cc1cc(F)cc(C[N@@H+](CCC2CC2)C2CC[NH2+]CC2)c1 ZINC001236481053 819496692 /nfs/dbraw/zinc/49/66/92/819496692.db2.gz NLDUPPFMBWZDDU-UHFFFAOYSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C[C@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236510087 819508617 /nfs/dbraw/zinc/50/86/17/819508617.db2.gz YDQXVFSYFKMUTR-LSDHHAIUSA-N 2 1 290.426 3.344 20 0 CGADMP CCC[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554875 819535298 /nfs/dbraw/zinc/53/52/98/819535298.db2.gz ZPQYUOSZHFLZMO-QAQDUYKDSA-N 2 1 260.425 3.477 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2ccc(F)cc2)CC2CC2)CC1 ZINC001236551760 819535591 /nfs/dbraw/zinc/53/55/91/819535591.db2.gz MZBFKUNUMFUGHU-IYARVYRRSA-N 2 1 290.426 3.350 20 0 CGADMP Cn1c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc2ccccc21 ZINC001236599840 819548900 /nfs/dbraw/zinc/54/89/00/819548900.db2.gz WLFOCPYOVIJRCW-OAHLLOKOSA-N 2 1 297.446 3.142 20 0 CGADMP Cn1c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc2ccccc21 ZINC001236599840 819548904 /nfs/dbraw/zinc/54/89/04/819548904.db2.gz WLFOCPYOVIJRCW-OAHLLOKOSA-N 2 1 297.446 3.142 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001236605980 819549751 /nfs/dbraw/zinc/54/97/51/819549751.db2.gz QXZQDKJJFGFWMU-UHFFFAOYSA-N 2 1 298.455 3.261 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCCc2ccccc2)C1 ZINC001236603688 819551038 /nfs/dbraw/zinc/55/10/38/819551038.db2.gz CJTUKHALCHMHPJ-KRWDZBQOSA-N 2 1 260.425 3.070 20 0 CGADMP c1cc2c(cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1)CCCN2 ZINC001236638289 819556392 /nfs/dbraw/zinc/55/63/92/819556392.db2.gz YBJSNROWJGYEQR-UHFFFAOYSA-N 2 1 299.462 3.151 20 0 CGADMP c1cc2c(c(C[N@@H+](C3CCC3)C3CC[NH2+]CC3)c1)CCC2 ZINC001236647121 819559607 /nfs/dbraw/zinc/55/96/07/819559607.db2.gz KGLGJKWSIUJNQG-UHFFFAOYSA-N 2 1 284.447 3.282 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c4ccccc34)C[C@@H]12 ZINC001236819809 819605571 /nfs/dbraw/zinc/60/55/71/819605571.db2.gz OLHWCTUEQIDSRR-FDQGKXFDSA-N 2 1 284.378 3.148 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3c(Cl)cccc3Cl)C[C@@H]12 ZINC001236821953 819607914 /nfs/dbraw/zinc/60/79/14/819607914.db2.gz WTQZKNBTRVLEDX-JVLSTEMRSA-N 2 1 299.245 3.205 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3c(Cl)cccc3Cl)C[C@@H]12 ZINC001236821953 819607919 /nfs/dbraw/zinc/60/79/19/819607919.db2.gz WTQZKNBTRVLEDX-JVLSTEMRSA-N 2 1 299.245 3.205 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC001236827299 819610077 /nfs/dbraw/zinc/61/00/77/819610077.db2.gz FIPKIVFXLFYXMN-WDMOLILDSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC001236827299 819610079 /nfs/dbraw/zinc/61/00/79/819610079.db2.gz FIPKIVFXLFYXMN-WDMOLILDSA-N 2 1 299.245 3.471 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236833858 819612811 /nfs/dbraw/zinc/61/28/11/819612811.db2.gz CTPPFBCNJZCNFL-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236833858 819612814 /nfs/dbraw/zinc/61/28/14/819612814.db2.gz CTPPFBCNJZCNFL-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1cc(F)cc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236835576 819615680 /nfs/dbraw/zinc/61/56/80/819615680.db2.gz NKBVGLIQXRNHSA-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@@H+](Cc1cccc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236842264 819618550 /nfs/dbraw/zinc/61/85/50/819618550.db2.gz DBSSVMCDYQRMDV-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@H+](Cc1cccc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236842264 819618552 /nfs/dbraw/zinc/61/85/52/819618552.db2.gz DBSSVMCDYQRMDV-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP CCC[N@@H+](Cc1ccc(OCC)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236842210 819618883 /nfs/dbraw/zinc/61/88/83/819618883.db2.gz BZPOIKWICCEYJM-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@H+](Cc1ccc(OCC)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236842210 819618886 /nfs/dbraw/zinc/61/88/86/819618886.db2.gz BZPOIKWICCEYJM-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP C[N@@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)C1CC1 ZINC001236902547 819634741 /nfs/dbraw/zinc/63/47/41/819634741.db2.gz HBXFSTXYAYIKMM-UHFFFAOYSA-N 2 1 261.756 3.120 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c2ccccc12 ZINC001237058727 819657304 /nfs/dbraw/zinc/65/73/04/819657304.db2.gz RPXCQSKPVUZLEX-IBGZPJMESA-N 2 1 298.430 3.409 20 0 CGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(Cl)cc1 ZINC001237080593 819662513 /nfs/dbraw/zinc/66/25/13/819662513.db2.gz GWJXQGKRFRWTIH-ZXFUBFMLSA-N 2 1 292.854 3.474 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237083227 819663579 /nfs/dbraw/zinc/66/35/79/819663579.db2.gz XSMMJAXEKPYETK-INIZCTEOSA-N 2 1 278.465 3.278 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237082933 819663789 /nfs/dbraw/zinc/66/37/89/819663789.db2.gz VHTVZFUCTSMIKT-INIZCTEOSA-N 2 1 278.465 3.359 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001237352084 819733900 /nfs/dbraw/zinc/73/39/00/819733900.db2.gz DTDZIWVQDKBCQG-UHFFFAOYSA-N 2 1 280.843 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001237352084 819733904 /nfs/dbraw/zinc/73/39/04/819733904.db2.gz DTDZIWVQDKBCQG-UHFFFAOYSA-N 2 1 280.843 3.483 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384176 819739586 /nfs/dbraw/zinc/73/95/86/819739586.db2.gz VFMUOJVFZKNARL-SJORKVTESA-N 2 1 264.457 3.421 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384176 819739590 /nfs/dbraw/zinc/73/95/90/819739590.db2.gz VFMUOJVFZKNARL-SJORKVTESA-N 2 1 264.457 3.421 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237413952 819746839 /nfs/dbraw/zinc/74/68/39/819746839.db2.gz JYEBCOJXCIGBCM-SJLPKXTDSA-N 2 1 295.430 3.051 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412391 819747584 /nfs/dbraw/zinc/74/75/84/819747584.db2.gz IHNLXKRCJLBTLN-DOTOQJQBSA-N 2 1 290.476 3.291 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237412391 819747586 /nfs/dbraw/zinc/74/75/86/819747586.db2.gz IHNLXKRCJLBTLN-DOTOQJQBSA-N 2 1 290.476 3.291 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415456 819749341 /nfs/dbraw/zinc/74/93/41/819749341.db2.gz OAYMWTINNWXNAS-CJNGLKHVSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415456 819749345 /nfs/dbraw/zinc/74/93/45/819749345.db2.gz OAYMWTINNWXNAS-CJNGLKHVSA-N 2 1 278.827 3.222 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460079 819755203 /nfs/dbraw/zinc/75/52/03/819755203.db2.gz HDFXTSKABIYRIK-HDICACEKSA-N 2 1 272.436 3.194 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460079 819755207 /nfs/dbraw/zinc/75/52/07/819755207.db2.gz HDFXTSKABIYRIK-HDICACEKSA-N 2 1 272.436 3.194 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460079 819755213 /nfs/dbraw/zinc/75/52/13/819755213.db2.gz HDFXTSKABIYRIK-HDICACEKSA-N 2 1 272.436 3.194 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460079 819755215 /nfs/dbraw/zinc/75/52/15/819755215.db2.gz HDFXTSKABIYRIK-HDICACEKSA-N 2 1 272.436 3.194 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237662579 819801409 /nfs/dbraw/zinc/80/14/09/819801409.db2.gz OQFOUOILZCIQCP-UHFFFAOYSA-N 2 1 298.430 3.443 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237662579 819801415 /nfs/dbraw/zinc/80/14/15/819801415.db2.gz OQFOUOILZCIQCP-UHFFFAOYSA-N 2 1 298.430 3.443 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001238104034 819934506 /nfs/dbraw/zinc/93/45/06/819934506.db2.gz QSQZICDZCPYISK-INIZCTEOSA-N 2 1 277.371 3.324 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001238104034 819934515 /nfs/dbraw/zinc/93/45/15/819934515.db2.gz QSQZICDZCPYISK-INIZCTEOSA-N 2 1 277.371 3.324 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1cccc2c[nH+]cn21 ZINC001238111984 819936367 /nfs/dbraw/zinc/93/63/67/819936367.db2.gz ACRSPDXMFQQRKR-UHFFFAOYSA-N 2 1 283.350 3.148 20 0 CGADMP COc1ccc(CC[N@@H+](C)Cc2cccc3cncn32)cc1 ZINC001238119979 819938612 /nfs/dbraw/zinc/93/86/12/819938612.db2.gz RKUNOXKETVQHCL-UHFFFAOYSA-N 2 1 295.386 3.017 20 0 CGADMP COc1ccc(CC[N@H+](C)Cc2cccc3c[nH+]cn32)cc1 ZINC001238119979 819938620 /nfs/dbraw/zinc/93/86/20/819938620.db2.gz RKUNOXKETVQHCL-UHFFFAOYSA-N 2 1 295.386 3.017 20 0 CGADMP COc1ccc(CC[N@@H+](C)Cc2cccc3c[nH+]cn32)cc1 ZINC001238119979 819938626 /nfs/dbraw/zinc/93/86/26/819938626.db2.gz RKUNOXKETVQHCL-UHFFFAOYSA-N 2 1 295.386 3.017 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](Cc3cccc4cncn43)C2)c1 ZINC001238119704 819939526 /nfs/dbraw/zinc/93/95/26/819939526.db2.gz QKZCZVSRDYJZMZ-HNNXBMFYSA-N 2 1 295.361 3.463 20 0 CGADMP Fc1cccc([C@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238119704 819939532 /nfs/dbraw/zinc/93/95/32/819939532.db2.gz QKZCZVSRDYJZMZ-HNNXBMFYSA-N 2 1 295.361 3.463 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238119704 819939537 /nfs/dbraw/zinc/93/95/37/819939537.db2.gz QKZCZVSRDYJZMZ-HNNXBMFYSA-N 2 1 295.361 3.463 20 0 CGADMP C[N@H+](Cc1ccc(F)c(C2CC2)c1)CC1CC[NH+](C)CC1 ZINC001238501491 820030656 /nfs/dbraw/zinc/03/06/56/820030656.db2.gz MKSKQHMEKLTQOA-UHFFFAOYSA-N 2 1 290.426 3.477 20 0 CGADMP Cc1cc(F)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001240594197 821175622 /nfs/dbraw/zinc/17/56/22/821175622.db2.gz DWLUGDHWIKYJAJ-UHFFFAOYSA-N 2 1 281.334 3.136 20 0 CGADMP C[NH+]1CCC(c2cccc(C3=CC[N@@H+](C)CC3)c2)CC1 ZINC001241333224 821739075 /nfs/dbraw/zinc/73/90/75/821739075.db2.gz TYMLGWULTWVKBD-UHFFFAOYSA-N 2 1 270.420 3.215 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1cccc2c1C1(CC2)CC[NH2+]CC1 ZINC001242084019 822340694 /nfs/dbraw/zinc/34/06/94/822340694.db2.gz KXLSNVGYFNKFKY-UHFFFAOYSA-N 2 1 293.414 3.207 20 0 CGADMP CC[N@@H+]1CCc2cc(-c3c[nH+]c(N)cc3C)ccc2C1 ZINC001242084860 822342608 /nfs/dbraw/zinc/34/26/08/822342608.db2.gz XWJKYBSTHHKYLN-UHFFFAOYSA-N 2 1 267.376 3.017 20 0 CGADMP CC[N@H+]1CCc2cc(-c3c[nH+]c(N)cc3C)ccc2C1 ZINC001242084860 822342618 /nfs/dbraw/zinc/34/26/18/822342618.db2.gz XWJKYBSTHHKYLN-UHFFFAOYSA-N 2 1 267.376 3.017 20 0 CGADMP Cc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1F ZINC001242240082 822922894 /nfs/dbraw/zinc/92/28/94/822922894.db2.gz WBFRJDXQXSDHGI-UHFFFAOYSA-N 2 1 281.334 3.136 20 0 CGADMP CCOc1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1C)CC2 ZINC001341309225 936433643 /nfs/dbraw/zinc/43/36/43/936433643.db2.gz JVAMVIGMHLXBEN-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP CCOc1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC001341309225 936433645 /nfs/dbraw/zinc/43/36/45/936433645.db2.gz JVAMVIGMHLXBEN-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001349390690 936947928 /nfs/dbraw/zinc/94/79/28/936947928.db2.gz YYMAXSBZEGWYOZ-JWTNVVGKSA-N 2 1 272.436 3.354 20 0 CGADMP CCCc1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001349487174 936950264 /nfs/dbraw/zinc/95/02/64/936950264.db2.gz QOMMDOHMDGIMJB-UHFFFAOYSA-N 2 1 293.480 3.061 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001352084984 937035648 /nfs/dbraw/zinc/03/56/48/937035648.db2.gz SQQRRWWLUXGHMS-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C)o1 ZINC001352112287 937037147 /nfs/dbraw/zinc/03/71/47/937037147.db2.gz MDZPHCYUWAHPTQ-USXIJHARSA-N 2 1 276.424 3.059 20 0 CGADMP CCc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275439156 928522961 /nfs/dbraw/zinc/52/29/61/928522961.db2.gz NKFMPCUPPWSDLA-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275439156 928522965 /nfs/dbraw/zinc/52/29/65/928522965.db2.gz NKFMPCUPPWSDLA-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275439156 928522975 /nfs/dbraw/zinc/52/29/75/928522975.db2.gz NKFMPCUPPWSDLA-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001308203253 928817358 /nfs/dbraw/zinc/81/73/58/928817358.db2.gz NMWUYSIWMQSTMQ-OKZBNKHCSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC001459537239 937491054 /nfs/dbraw/zinc/49/10/54/937491054.db2.gz FFBCLHWVOZLPMB-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC001459537239 937491056 /nfs/dbraw/zinc/49/10/56/937491056.db2.gz FFBCLHWVOZLPMB-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC001459537239 937491058 /nfs/dbraw/zinc/49/10/58/937491058.db2.gz FFBCLHWVOZLPMB-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP CCCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614497 937494270 /nfs/dbraw/zinc/49/42/70/937494270.db2.gz OSYZRBFDELIESG-FUHWJXTLSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614497 937494271 /nfs/dbraw/zinc/49/42/71/937494271.db2.gz OSYZRBFDELIESG-FUHWJXTLSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614497 937494272 /nfs/dbraw/zinc/49/42/72/937494272.db2.gz OSYZRBFDELIESG-FUHWJXTLSA-N 2 1 292.467 3.162 20 0 CGADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614497 937494273 /nfs/dbraw/zinc/49/42/73/937494273.db2.gz OSYZRBFDELIESG-FUHWJXTLSA-N 2 1 292.467 3.162 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC12CCC(CC1)C2 ZINC001460491244 937533503 /nfs/dbraw/zinc/53/35/03/937533503.db2.gz RTIQFSXRLQJPOW-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC12CCC(CC1)C2 ZINC001460491244 937533505 /nfs/dbraw/zinc/53/35/05/937533505.db2.gz RTIQFSXRLQJPOW-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@](F)(c2ccccc2)C1 ZINC001460647776 937537998 /nfs/dbraw/zinc/53/79/98/937537998.db2.gz AYSAZFOEUFDKAC-ZWKOTPCHSA-N 2 1 290.426 3.432 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648165 937538369 /nfs/dbraw/zinc/53/83/69/937538369.db2.gz CAZGFLQKVDWUFT-PMPSAXMXSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648165 937538370 /nfs/dbraw/zinc/53/83/70/937538370.db2.gz CAZGFLQKVDWUFT-PMPSAXMXSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648165 937538371 /nfs/dbraw/zinc/53/83/71/937538371.db2.gz CAZGFLQKVDWUFT-PMPSAXMXSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648165 937538373 /nfs/dbraw/zinc/53/83/73/937538373.db2.gz CAZGFLQKVDWUFT-PMPSAXMXSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(C)C)CC[C@@H]21 ZINC001460648165 937538375 /nfs/dbraw/zinc/53/83/75/937538375.db2.gz CAZGFLQKVDWUFT-PMPSAXMXSA-N 2 1 264.457 3.229 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001461049551 937561593 /nfs/dbraw/zinc/56/15/93/937561593.db2.gz FWFXQYWPQCWGFI-YRLOJYSSSA-N 2 1 274.383 3.055 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC001461049551 937561595 /nfs/dbraw/zinc/56/15/95/937561595.db2.gz FWFXQYWPQCWGFI-YRLOJYSSSA-N 2 1 274.383 3.055 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC001461069382 937561730 /nfs/dbraw/zinc/56/17/30/937561730.db2.gz WOZLUBRFOWYUGC-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC001461149603 937566464 /nfs/dbraw/zinc/56/64/64/937566464.db2.gz ZYBLOLCCNGBUDL-RBUKOAKNSA-N 2 1 286.463 3.396 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC001461149604 937566524 /nfs/dbraw/zinc/56/65/24/937566524.db2.gz ZYBLOLCCNGBUDL-RTBURBONSA-N 2 1 286.463 3.396 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001461171929 937567659 /nfs/dbraw/zinc/56/76/59/937567659.db2.gz PHFCOWOSANKFGB-TWVNLXSWSA-N 2 1 272.436 3.410 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2(C(C)C)CC2)CC1 ZINC001461936109 937607831 /nfs/dbraw/zinc/60/78/31/937607831.db2.gz OKVCKTSRUWCCNU-UHFFFAOYSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235891172 932690949 /nfs/dbraw/zinc/69/09/49/932690949.db2.gz CTKKZRAOAGHNDA-XTBFLFJDSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235891172 932690952 /nfs/dbraw/zinc/69/09/52/932690952.db2.gz CTKKZRAOAGHNDA-XTBFLFJDSA-N 2 1 278.827 3.255 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)o1 ZINC001462471294 937643753 /nfs/dbraw/zinc/64/37/53/937643753.db2.gz LRQLQLWQOGPTPW-GDBMZVCRSA-N 2 1 294.439 3.231 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)o1 ZINC001462471294 937643756 /nfs/dbraw/zinc/64/37/56/937643756.db2.gz LRQLQLWQOGPTPW-GDBMZVCRSA-N 2 1 294.439 3.231 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC001307676369 932985018 /nfs/dbraw/zinc/98/50/18/932985018.db2.gz XSLOVUZVDUACRE-MRXNPFEDSA-N 2 1 274.452 3.269 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CC[C@@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001307978466 933029081 /nfs/dbraw/zinc/02/90/81/933029081.db2.gz PEUJWLWNTUILRH-DFQSSKMNSA-N 2 1 298.474 3.380 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011949 933033633 /nfs/dbraw/zinc/03/36/33/933033633.db2.gz UPJGWCHZKJWWLN-MJGOQNOKSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011949 933033638 /nfs/dbraw/zinc/03/36/38/933033638.db2.gz UPJGWCHZKJWWLN-MJGOQNOKSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011949 933033644 /nfs/dbraw/zinc/03/36/44/933033644.db2.gz UPJGWCHZKJWWLN-MJGOQNOKSA-N 2 1 280.415 3.366 20 0 CGADMP CCc1ccccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001308035936 933039743 /nfs/dbraw/zinc/03/97/43/933039743.db2.gz XVAXLLJRWAEGDA-UHFFFAOYSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001308121741 933053258 /nfs/dbraw/zinc/05/32/58/933053258.db2.gz RIDGVTOYTMUXQG-VQHPVUNQSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001308121741 933053261 /nfs/dbraw/zinc/05/32/61/933053261.db2.gz RIDGVTOYTMUXQG-VQHPVUNQSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC001308121741 933053265 /nfs/dbraw/zinc/05/32/65/933053265.db2.gz RIDGVTOYTMUXQG-VQHPVUNQSA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001308202504 933071946 /nfs/dbraw/zinc/07/19/46/933071946.db2.gz FMVMOMPCQZMISC-KSZLIROESA-N 2 1 296.499 3.290 20 0 CGADMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001462656441 937657060 /nfs/dbraw/zinc/65/70/60/937657060.db2.gz XFGWJQNWKYAWOB-OTWHNJEPSA-N 2 1 286.463 3.411 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC001308419472 933108843 /nfs/dbraw/zinc/10/88/43/933108843.db2.gz VEYPVOAFYZPMLE-GFCCVEGCSA-N 2 1 266.429 3.173 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568261 933134908 /nfs/dbraw/zinc/13/49/08/933134908.db2.gz CPJUNJXYVBSCDV-NVXWUHKLSA-N 2 1 299.462 3.483 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568261 933134910 /nfs/dbraw/zinc/13/49/10/933134910.db2.gz CPJUNJXYVBSCDV-NVXWUHKLSA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568261 933134915 /nfs/dbraw/zinc/13/49/15/933134915.db2.gz CPJUNJXYVBSCDV-NVXWUHKLSA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568261 933134919 /nfs/dbraw/zinc/13/49/19/933134919.db2.gz CPJUNJXYVBSCDV-NVXWUHKLSA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC001308671564 933153314 /nfs/dbraw/zinc/15/33/14/933153314.db2.gz XVYZNOUSIJBEJP-QAPCUYQASA-N 2 1 287.451 3.196 20 0 CGADMP CC(C)CCCC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC001308748322 933169657 /nfs/dbraw/zinc/16/96/57/933169657.db2.gz RDCPCHZERPQIIU-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCCC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001308748322 933169660 /nfs/dbraw/zinc/16/96/60/933169660.db2.gz RDCPCHZERPQIIU-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCCC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001308748322 933169663 /nfs/dbraw/zinc/16/96/63/933169663.db2.gz RDCPCHZERPQIIU-JKSUJKDBSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCCC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC001308748319 933170079 /nfs/dbraw/zinc/17/00/79/933170079.db2.gz RDCPCHZERPQIIU-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001308748319 933170083 /nfs/dbraw/zinc/17/00/83/933170083.db2.gz RDCPCHZERPQIIU-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCCC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001308748319 933170085 /nfs/dbraw/zinc/17/00/85/933170085.db2.gz RDCPCHZERPQIIU-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC001308756044 933171288 /nfs/dbraw/zinc/17/12/88/933171288.db2.gz XHMOJBJDSYLNCR-ZBFHGGJFSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1c(Cl)cccc1CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001308904790 933200590 /nfs/dbraw/zinc/20/05/90/933200590.db2.gz UQNBPVITLCODMQ-GOEBONIOSA-N 2 1 278.827 3.174 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C12CCCC2 ZINC001319830920 933940281 /nfs/dbraw/zinc/94/02/81/933940281.db2.gz DQGOCSFDYGNRHV-VVLHAWIVSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](C[NH2+]CCc1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001319912347 933956310 /nfs/dbraw/zinc/95/63/10/933956310.db2.gz DRHLIOCXMZQOOR-CABCVRRESA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H](C[NH2+]CCc1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001319912347 933956313 /nfs/dbraw/zinc/95/63/13/933956313.db2.gz DRHLIOCXMZQOOR-CABCVRRESA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)[C@@H](C)C1 ZINC001320217267 934016832 /nfs/dbraw/zinc/01/68/32/934016832.db2.gz BVNNHVPWCILKOD-LYYZXLFJSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC001325743593 934926265 /nfs/dbraw/zinc/92/62/65/934926265.db2.gz PMOQGLZTMNAAER-UWVGGRQHSA-N 2 1 258.768 3.128 20 0 CGADMP CC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC001326190688 934957522 /nfs/dbraw/zinc/95/75/22/934957522.db2.gz XWVJDOQXIUZRDV-MRXNPFEDSA-N 2 1 270.420 3.326 20 0 CGADMP CC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC001326190688 934957529 /nfs/dbraw/zinc/95/75/29/934957529.db2.gz XWVJDOQXIUZRDV-MRXNPFEDSA-N 2 1 270.420 3.326 20 0 CGADMP c1ccc([C@]23CCCC[C@@H]2C[N@@H+]3CC2CC[NH2+]CC2)cc1 ZINC001326230691 934961146 /nfs/dbraw/zinc/96/11/46/934961146.db2.gz DMGFHKJHZMYKEG-RTBURBONSA-N 2 1 284.447 3.387 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001473678298 937817280 /nfs/dbraw/zinc/81/72/80/937817280.db2.gz WELQFYYDKMKJCP-SJORKVTESA-N 2 1 284.488 3.245 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001329364099 935208931 /nfs/dbraw/zinc/20/89/31/935208931.db2.gz PIMWRFJCULZCBM-WMLDXEAASA-N 2 1 281.403 3.074 20 0 CGADMP C(C1CCC1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001329925716 935254467 /nfs/dbraw/zinc/25/44/67/935254467.db2.gz NJLINPLWDLTQKL-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP FC12C[C@@H]3C[C@H](C1)CC([NH2+][C@H]1CC[N@H+]4CCC[C@H]4C1)(C3)C2 ZINC001334326277 936097418 /nfs/dbraw/zinc/09/74/18/936097418.db2.gz AUGXLIIKBQEEMM-XYSPWKNWSA-N 2 1 292.442 3.264 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)c1 ZINC001334738467 936110459 /nfs/dbraw/zinc/11/04/59/936110459.db2.gz PEZMFBKWQVFITA-YJBOKZPZSA-N 2 1 288.435 3.222 20 0 CGADMP CO[C@@H](C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccc(F)cc1 ZINC001337838337 936293969 /nfs/dbraw/zinc/29/39/69/936293969.db2.gz NWFQXRSNXXVBEX-CVEARBPZSA-N 2 1 296.430 3.256 20 0 CGADMP CCCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001473759418 937820579 /nfs/dbraw/zinc/82/05/79/937820579.db2.gz FYXLOGMMLOBGQX-HNNXBMFYSA-N 2 1 261.413 3.172 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1OC ZINC001473814119 937822828 /nfs/dbraw/zinc/82/28/28/937822828.db2.gz YIIYBHWWDKTEHX-HOCLYGCPSA-N 2 1 294.414 3.359 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1OC ZINC001473814119 937822829 /nfs/dbraw/zinc/82/28/29/937822829.db2.gz YIIYBHWWDKTEHX-HOCLYGCPSA-N 2 1 294.414 3.359 20 0 CGADMP CC[C@H](C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)[NH+]1CCCC1 ZINC001473926939 937830533 /nfs/dbraw/zinc/83/05/33/937830533.db2.gz QACBCHGGFKIMRE-GVDBMIGSSA-N 2 1 264.457 3.443 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001473957960 937832396 /nfs/dbraw/zinc/83/23/96/937832396.db2.gz YLCAACLPAHKTAU-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001473957960 937832398 /nfs/dbraw/zinc/83/23/98/937832398.db2.gz YLCAACLPAHKTAU-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC001473968224 937832885 /nfs/dbraw/zinc/83/28/85/937832885.db2.gz OFOWAAXICSFBRG-LLVKDONJSA-N 2 1 288.407 3.431 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001473979537 937833890 /nfs/dbraw/zinc/83/38/90/937833890.db2.gz WZVSDDHQTMRQNW-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1cccnc1 ZINC001474039517 937837044 /nfs/dbraw/zinc/83/70/44/937837044.db2.gz GFEYOYTUJJAJSC-QGZVFWFLSA-N 2 1 298.434 3.072 20 0 CGADMP COc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)ccc1F ZINC001474105760 937840472 /nfs/dbraw/zinc/84/04/72/937840472.db2.gz ABYKJVGDQWOOGZ-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2NC)C[C@@H]1C ZINC001474317981 937851452 /nfs/dbraw/zinc/85/14/52/937851452.db2.gz QZDDFUZUHAPTEP-RDJZCZTQSA-N 2 1 289.467 3.341 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2NC)C[C@@H]1C ZINC001474317981 937851454 /nfs/dbraw/zinc/85/14/54/937851454.db2.gz QZDDFUZUHAPTEP-RDJZCZTQSA-N 2 1 289.467 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2NC)C[C@@H]1C ZINC001474317981 937851456 /nfs/dbraw/zinc/85/14/56/937851456.db2.gz QZDDFUZUHAPTEP-RDJZCZTQSA-N 2 1 289.467 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2NC)C[C@@H]1C ZINC001474317981 937851458 /nfs/dbraw/zinc/85/14/58/937851458.db2.gz QZDDFUZUHAPTEP-RDJZCZTQSA-N 2 1 289.467 3.341 20 0 CGADMP CC(C)CCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001474347994 937853363 /nfs/dbraw/zinc/85/33/63/937853363.db2.gz AHGYCBWKBSNQBJ-QGZVFWFLSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)CCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001474347994 937853365 /nfs/dbraw/zinc/85/33/65/937853365.db2.gz AHGYCBWKBSNQBJ-QGZVFWFLSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)CCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001474347994 937853367 /nfs/dbraw/zinc/85/33/67/937853367.db2.gz AHGYCBWKBSNQBJ-QGZVFWFLSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)sc1C ZINC001549776734 938159548 /nfs/dbraw/zinc/15/95/48/938159548.db2.gz UCZFJHCGIZVOMJ-HNNXBMFYSA-N 2 1 293.480 3.287 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC34CCC4)CC[NH2+]2)cc1 ZINC001551379398 938180802 /nfs/dbraw/zinc/18/08/02/938180802.db2.gz NVIPIHMYQMMSJY-PMPSAXMXSA-N 2 1 256.393 3.012 20 0 CGADMP CC(C)OC1CC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001552080883 938190045 /nfs/dbraw/zinc/19/00/45/938190045.db2.gz WSXBTLGWZMSEIO-FCCDEINASA-N 2 1 288.435 3.025 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)ccc1F ZINC001559681392 938232817 /nfs/dbraw/zinc/23/28/17/938232817.db2.gz GZHOVNDRTQFVQA-SNVBAGLBSA-N 2 1 281.762 3.106 20 0 CGADMP C[N@@H+](CCCSC(C)(C)C)CCC[NH+]1CCCC1 ZINC001559791311 938235657 /nfs/dbraw/zinc/23/56/57/938235657.db2.gz YQLUNUVUDVJKTR-UHFFFAOYSA-N 2 1 272.502 3.326 20 0 CGADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1F ZINC001560109059 938244305 /nfs/dbraw/zinc/24/43/05/938244305.db2.gz RZSFQQNTYSSZLN-HNNXBMFYSA-N 2 1 299.393 3.240 20 0 CGADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1F ZINC001560109059 938244306 /nfs/dbraw/zinc/24/43/06/938244306.db2.gz RZSFQQNTYSSZLN-HNNXBMFYSA-N 2 1 299.393 3.240 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCc2ccccc21 ZINC001560155617 938245480 /nfs/dbraw/zinc/24/54/80/938245480.db2.gz PTTJUWCBDSUYHT-KXBFYZLASA-N 2 1 293.414 3.280 20 0 CGADMP C[N@H+]1C[C@]23C[NH+](CCCC(C)(F)F)C[C@@]2(C1)CCCC3 ZINC001560237643 938248353 /nfs/dbraw/zinc/24/83/53/938248353.db2.gz CGPUHVNOSLQLTN-IYBDPMFKSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1C[C@]23C[N@H+](CCCC(C)(F)F)C[C@@]2(C1)CCCC3 ZINC001560237643 938248354 /nfs/dbraw/zinc/24/83/54/938248354.db2.gz CGPUHVNOSLQLTN-IYBDPMFKSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1C[C@]23C[N@@H+](CCCC(C)(F)F)C[C@@]2(C1)CCCC3 ZINC001560237643 938248355 /nfs/dbraw/zinc/24/83/55/938248355.db2.gz CGPUHVNOSLQLTN-IYBDPMFKSA-N 2 1 286.410 3.230 20 0 CGADMP Cc1cccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1F ZINC001560436895 938258618 /nfs/dbraw/zinc/25/86/18/938258618.db2.gz WBBVJTDTHPKLCP-HNNXBMFYSA-N 2 1 278.415 3.488 20 0 CGADMP CCCCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1(C)C ZINC001560866366 938280624 /nfs/dbraw/zinc/28/06/24/938280624.db2.gz DKPFPJRTEMUXIJ-XHSDSOJGSA-N 2 1 284.488 3.289 20 0 CGADMP CCCCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1(C)C ZINC001560866366 938280625 /nfs/dbraw/zinc/28/06/25/938280625.db2.gz DKPFPJRTEMUXIJ-XHSDSOJGSA-N 2 1 284.488 3.289 20 0 CGADMP CC(C)C1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001560937337 938285047 /nfs/dbraw/zinc/28/50/47/938285047.db2.gz BIXVWWJQYCZLIC-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001560937337 938285049 /nfs/dbraw/zinc/28/50/49/938285049.db2.gz BIXVWWJQYCZLIC-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001560951119 938286039 /nfs/dbraw/zinc/28/60/39/938286039.db2.gz YIAWGUFZUZBXLH-PKOBYXMFSA-N 2 1 298.474 3.428 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CCC3CCCCCC3)[C@H]2C1 ZINC001561052676 938292392 /nfs/dbraw/zinc/29/23/92/938292392.db2.gz IGRVBUNQWGBXKF-YESZJQIVSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC001575422218 962373854 /nfs/dbraw/zinc/37/38/54/962373854.db2.gz GAQBUOCNNBGITJ-INIZCTEOSA-N 2 1 285.435 3.078 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC001575422218 962373872 /nfs/dbraw/zinc/37/38/72/962373872.db2.gz GAQBUOCNNBGITJ-INIZCTEOSA-N 2 1 285.435 3.078 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001575912709 962423972 /nfs/dbraw/zinc/42/39/72/962423972.db2.gz OSQHDQMCBFORMH-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001576058178 962431435 /nfs/dbraw/zinc/43/14/35/962431435.db2.gz VDNRLOFPBPEXKJ-MWLCHTKSSA-N 2 1 294.748 3.140 20 0 CGADMP C[C@H](c1ccccc1)[N@H+](C[C@H]([NH3+])CC(F)F)C1CC1 ZINC001576310956 962448525 /nfs/dbraw/zinc/44/85/25/962448525.db2.gz ONDCNQOCLCBDMK-DGCLKSJQSA-N 2 1 268.351 3.195 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+](C[C@H]([NH3+])CC(F)F)C1CC1 ZINC001576310956 962448531 /nfs/dbraw/zinc/44/85/31/962448531.db2.gz ONDCNQOCLCBDMK-DGCLKSJQSA-N 2 1 268.351 3.195 20 0 CGADMP C[C@]1(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001576502639 962468870 /nfs/dbraw/zinc/46/88/70/962468870.db2.gz DNGIJYBMPIYSDJ-ROUUACIJSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCC[NH2+]C1 ZINC001576503099 962471010 /nfs/dbraw/zinc/47/10/10/962471010.db2.gz LSSBMXKZJWKUPP-ZWKOTPCHSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCC2)C1 ZINC001576849417 962488225 /nfs/dbraw/zinc/48/82/25/962488225.db2.gz FUEYMSGPFYGKMQ-BBRMVZONSA-N 2 1 292.854 3.349 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001577096621 962509240 /nfs/dbraw/zinc/50/92/40/962509240.db2.gz SFWYZHQMCVPUMN-DFBGVHRSSA-N 2 1 266.816 3.001 20 0 CGADMP CC[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H]1C ZINC001577262600 962515873 /nfs/dbraw/zinc/51/58/73/962515873.db2.gz KAFHAMZVVYOQNQ-NWDGAFQWSA-N 2 1 264.438 3.014 20 0 CGADMP CCOc1cc(F)cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC001578168346 962576368 /nfs/dbraw/zinc/57/63/68/962576368.db2.gz IAWIQROVHCXAAR-QGZVFWFLSA-N 2 1 294.414 3.222 20 0 CGADMP CCc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001578255471 962587221 /nfs/dbraw/zinc/58/72/21/962587221.db2.gz TVMREMZDLDOUEZ-FUHWJXTLSA-N 2 1 272.436 3.038 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1Cl)C1CCC([NH3+])CC1 ZINC001578478482 962596168 /nfs/dbraw/zinc/59/61/68/962596168.db2.gz JJPWPXMRYVCUAV-UHFFFAOYSA-N 2 1 284.806 3.223 20 0 CGADMP C[N@@H+](Cc1cc2nc(Cl)ccc2s1)CC(C)(C)C[NH3+] ZINC001578486177 962597890 /nfs/dbraw/zinc/59/78/90/962597890.db2.gz WMDQELBIKNFZAV-UHFFFAOYSA-N 2 1 297.855 3.366 20 0 CGADMP COCCCCC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001579011922 962612965 /nfs/dbraw/zinc/61/29/65/962612965.db2.gz HYRFTYPVHBELKA-SFHVURJKSA-N 2 1 290.451 3.057 20 0 CGADMP COCCCCC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001579011922 962612974 /nfs/dbraw/zinc/61/29/74/962612974.db2.gz HYRFTYPVHBELKA-SFHVURJKSA-N 2 1 290.451 3.057 20 0 CGADMP Cc1cc(C)cc(CC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001579580170 962633883 /nfs/dbraw/zinc/63/38/83/962633883.db2.gz RRYHWBRAYZUQHK-IBGZPJMESA-N 2 1 286.463 3.312 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC2(C[NH3+])CC2)c1 ZINC001579671693 962650975 /nfs/dbraw/zinc/65/09/75/962650975.db2.gz KURPBTLDMLQWIU-INIZCTEOSA-N 2 1 258.409 3.179 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H](C[NH3+])C(C)C)cc1 ZINC001579684508 962654227 /nfs/dbraw/zinc/65/42/27/962654227.db2.gz HIFJTWASXBNHNN-ROUUACIJSA-N 2 1 274.452 3.233 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC001579685106 962658082 /nfs/dbraw/zinc/65/80/82/962658082.db2.gz CXYUIEGJANLQPL-KRWDZBQOSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1ccc([C@H]2CC[N@H+](C[C@H](C[NH3+])C(C)C)C2)cc1 ZINC001579678227 962658299 /nfs/dbraw/zinc/65/82/99/962658299.db2.gz IVSZIEKWUWGIQZ-IRXDYDNUSA-N 2 1 260.425 3.015 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001579795337 962674925 /nfs/dbraw/zinc/67/49/25/962674925.db2.gz NPYWMHAQYQIBIC-JKSUJKDBSA-N 2 1 260.425 3.015 20 0 CGADMP Cc1scc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1C ZINC001579936900 962681478 /nfs/dbraw/zinc/68/14/78/962681478.db2.gz CYMWXFWXPINNSM-XHDPSFHLSA-N 2 1 266.454 3.314 20 0 CGADMP Fc1cccc(C(F)(F)C[NH2+]C2CC3(C2)CC[NH2+]CC3)c1 ZINC001580033280 962685969 /nfs/dbraw/zinc/68/59/69/962685969.db2.gz GFKPZERQYJNNPP-UHFFFAOYSA-N 2 1 298.352 3.039 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(CC3CCC3)c2)C1 ZINC001580262907 962706553 /nfs/dbraw/zinc/70/65/53/962706553.db2.gz CKHZKMCUDDMNKM-GOSISDBHSA-N 2 1 272.436 3.200 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)oc1C ZINC000337485658 214114026 /nfs/dbraw/zinc/11/40/26/214114026.db2.gz SHJLIBPFCYGZAZ-CABCVRRESA-N 2 1 294.439 3.048 20 0 CGADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000651218736 398217691 /nfs/dbraw/zinc/21/76/91/398217691.db2.gz JTDHPMZQXLQBMO-OLZOCXBDSA-N 2 1 251.418 3.242 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000337524705 214137664 /nfs/dbraw/zinc/13/76/64/214137664.db2.gz RJPFCGVNZCGYQG-SQNIBIBYSA-N 2 1 296.499 3.436 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1cccs1)C1CC1 ZINC000124861541 187158554 /nfs/dbraw/zinc/15/85/54/187158554.db2.gz MJZLFTAHCQZLJH-CYBMUJFWSA-N 2 1 264.438 3.197 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccs1)C1CC1 ZINC000124861541 187158555 /nfs/dbraw/zinc/15/85/55/187158555.db2.gz MJZLFTAHCQZLJH-CYBMUJFWSA-N 2 1 264.438 3.197 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1cccs1)C1CC1 ZINC000124861541 187158556 /nfs/dbraw/zinc/15/85/56/187158556.db2.gz MJZLFTAHCQZLJH-CYBMUJFWSA-N 2 1 264.438 3.197 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1cccs1)C1CC1 ZINC000124861541 187158557 /nfs/dbraw/zinc/15/85/57/187158557.db2.gz MJZLFTAHCQZLJH-CYBMUJFWSA-N 2 1 264.438 3.197 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000651646069 398261670 /nfs/dbraw/zinc/26/16/70/398261670.db2.gz NIDRHGWFDSEHMV-MRXNPFEDSA-N 2 1 286.463 3.339 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705074 398271882 /nfs/dbraw/zinc/27/18/82/398271882.db2.gz HAHHADNIVXBMEB-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC000651864779 398298235 /nfs/dbraw/zinc/29/82/35/398298235.db2.gz DKVHOAKKEKPHMT-UHFFFAOYSA-N 2 1 262.388 3.132 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000651865630 398299102 /nfs/dbraw/zinc/29/91/02/398299102.db2.gz BFMGMMHWRXXZRA-CABCVRRESA-N 2 1 272.502 3.084 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000651866119 398299219 /nfs/dbraw/zinc/29/92/19/398299219.db2.gz VSZQWGAYYZDCFR-AWEZNQCLSA-N 2 1 268.470 3.247 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2C)[C@@H](C)C1 ZINC000651911413 398305210 /nfs/dbraw/zinc/30/52/10/398305210.db2.gz XNOGSVSTYLVOHW-LEUOFYLZSA-N 2 1 272.436 3.171 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000338017602 214362644 /nfs/dbraw/zinc/36/26/44/214362644.db2.gz NZNOXVSJRDRVJD-SJCJKPOMSA-N 2 1 287.382 3.244 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423475655 529453114 /nfs/dbraw/zinc/45/31/14/529453114.db2.gz RTSWVEVFDCRFKR-TVQRCGJNSA-N 2 1 273.207 3.308 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423499643 529545763 /nfs/dbraw/zinc/54/57/63/529545763.db2.gz CHWGEVWTRSJDFX-SLFFLAALSA-N 2 1 294.442 3.353 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000414201078 529605541 /nfs/dbraw/zinc/60/55/41/529605541.db2.gz YBMNBMAVSAQHCH-YJBOKZPZSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000312112108 282209774 /nfs/dbraw/zinc/20/97/74/282209774.db2.gz MXMDGXWUXPTHRO-GXFFZTMASA-N 2 1 293.461 3.468 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000134154390 282210410 /nfs/dbraw/zinc/21/04/10/282210410.db2.gz VLZIYIZLLCKARV-LXZKKBNFSA-N 2 1 275.440 3.410 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)CC1(C)C ZINC000623336449 349780633 /nfs/dbraw/zinc/78/06/33/349780633.db2.gz OYZGNZCYHKAUBH-HNNXBMFYSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCSc2ccccc2)CC1(C)C ZINC000623341602 349782395 /nfs/dbraw/zinc/78/23/95/349782395.db2.gz KNRSZZLOZRUTJV-AWEZNQCLSA-N 2 1 278.465 3.241 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC[C@H](C)[C@H](C)C1 ZINC000129430368 282211233 /nfs/dbraw/zinc/21/12/33/282211233.db2.gz BUHCLAICOPXEIN-AYDFFVQHSA-N 2 1 263.429 3.242 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000423527343 529654602 /nfs/dbraw/zinc/65/46/02/529654602.db2.gz MJDOIKUFRBBKDK-HOTGVXAUSA-N 2 1 264.388 3.384 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)CC1(C)C ZINC000623347239 349784940 /nfs/dbraw/zinc/78/49/40/349784940.db2.gz UDDRMWYWQWQTHJ-SNVBAGLBSA-N 2 1 272.845 3.364 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)CC1(C)C ZINC000623347239 349784942 /nfs/dbraw/zinc/78/49/42/349784942.db2.gz UDDRMWYWQWQTHJ-SNVBAGLBSA-N 2 1 272.845 3.364 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCCC2)CC1(C)C ZINC000623348166 349785536 /nfs/dbraw/zinc/78/55/36/349785536.db2.gz UNTPGGHBDYNSPU-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1OC(F)F ZINC000423385508 529659934 /nfs/dbraw/zinc/65/99/34/529659934.db2.gz QVGNWZIDNQNCLO-SCRDCRAPSA-N 2 1 298.377 3.469 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378774 349794053 /nfs/dbraw/zinc/79/40/53/349794053.db2.gz QADDAHLGKHSTJV-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP C[N@H+]1CC[C@H](N[C@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411958 349801815 /nfs/dbraw/zinc/80/18/15/349801815.db2.gz ROKQJWYWEHDCPM-ZFWWWQNUSA-N 2 1 292.398 3.112 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000127874686 187337858 /nfs/dbraw/zinc/33/78/58/187337858.db2.gz ANKAPMPCDLXMLV-KBPBESRZSA-N 2 1 289.398 3.360 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000418128283 282251650 /nfs/dbraw/zinc/25/16/50/282251650.db2.gz SFULSALGZIGWGR-GUTXKFCHSA-N 2 1 284.407 3.052 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccnc1 ZINC000623442468 349810739 /nfs/dbraw/zinc/81/07/39/349810739.db2.gz PCSIPYSIUJVSLU-IRXDYDNUSA-N 2 1 289.467 3.284 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCCC2)CC1(C)C ZINC000623445427 349811649 /nfs/dbraw/zinc/81/16/49/349811649.db2.gz QXWUPYFMZGQFMR-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](F)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000351751875 136381062 /nfs/dbraw/zinc/38/10/62/136381062.db2.gz DOWVBRQLHLUCHS-OAHLLOKOSA-N 2 1 293.430 3.368 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)s1 ZINC000359633972 529729088 /nfs/dbraw/zinc/72/90/88/529729088.db2.gz DEUVAQXWLCCZHI-GFCCVEGCSA-N 2 1 283.485 3.395 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)s1 ZINC000359633972 529729090 /nfs/dbraw/zinc/72/90/90/529729090.db2.gz DEUVAQXWLCCZHI-GFCCVEGCSA-N 2 1 283.485 3.395 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)CC1(C)C ZINC000623535213 349828628 /nfs/dbraw/zinc/82/86/28/349828628.db2.gz QFTLRINKEDQFIE-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623542193 349830181 /nfs/dbraw/zinc/83/01/81/349830181.db2.gz QNBOZUIXDMZZNB-GJZGRUSLSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560140 349835048 /nfs/dbraw/zinc/83/50/48/349835048.db2.gz WNGRZLYKDMOQEN-HYVNUMGLSA-N 2 1 272.436 3.313 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)CC1(C)C ZINC000623563778 349835818 /nfs/dbraw/zinc/83/58/18/349835818.db2.gz JUNWPEUVTSWDGC-OAHLLOKOSA-N 2 1 272.392 3.395 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)[C@@H]2CCC[C@H]21 ZINC000367597720 529806318 /nfs/dbraw/zinc/80/63/18/529806318.db2.gz CEEWJQMFHMYDPV-HRCADAONSA-N 2 1 262.441 3.029 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000623657794 349859238 /nfs/dbraw/zinc/85/92/38/349859238.db2.gz ZCUWNBZWIZPQJB-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CC[C@H](N[C@@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638531 349852745 /nfs/dbraw/zinc/85/27/45/349852745.db2.gz IRNVOCOVCRCLJT-DOTOQJQBSA-N 2 1 287.451 3.385 20 0 CGADMP CN1CC[C@H]([NH2+][C@@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638531 349852750 /nfs/dbraw/zinc/85/27/50/349852750.db2.gz IRNVOCOVCRCLJT-DOTOQJQBSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638531 349852751 /nfs/dbraw/zinc/85/27/51/349852751.db2.gz IRNVOCOVCRCLJT-DOTOQJQBSA-N 2 1 287.451 3.385 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccn2)C2CCC2)CC1(C)C ZINC000623638531 349852753 /nfs/dbraw/zinc/85/27/53/349852753.db2.gz IRNVOCOVCRCLJT-DOTOQJQBSA-N 2 1 287.451 3.385 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656028 349856958 /nfs/dbraw/zinc/85/69/58/349856958.db2.gz LGTVPRVLSZJCIU-QIPRVMPFSA-N 2 1 272.436 3.411 20 0 CGADMP COc1ccccc1CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351549045 219123031 /nfs/dbraw/zinc/12/30/31/219123031.db2.gz XHRBTEHTZIIUCH-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccccc1CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351549045 219123034 /nfs/dbraw/zinc/12/30/34/219123034.db2.gz XHRBTEHTZIIUCH-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccccc1CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000351549045 219123035 /nfs/dbraw/zinc/12/30/35/219123035.db2.gz XHRBTEHTZIIUCH-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccccc1CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000351549045 219123037 /nfs/dbraw/zinc/12/30/37/219123037.db2.gz XHRBTEHTZIIUCH-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623853744 349896887 /nfs/dbraw/zinc/89/68/87/349896887.db2.gz GIMUGANANXONFN-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCCO1 ZINC000623864525 349899599 /nfs/dbraw/zinc/89/95/99/349899599.db2.gz RGABPCJPAMNLPV-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423241752 529979289 /nfs/dbraw/zinc/97/92/89/529979289.db2.gz IGJLZTJDTQMBRV-HIFRSBDPSA-N 2 1 266.816 3.175 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccnc3Cl)C2)CC1 ZINC000369721137 530051061 /nfs/dbraw/zinc/05/10/61/530051061.db2.gz LWAQVVHRLMJOII-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCCC3CCOCC3)C2)CC1 ZINC000369704513 530051107 /nfs/dbraw/zinc/05/11/07/530051107.db2.gz QEQUBFVTQWBZDS-UHFFFAOYSA-N 2 1 294.483 3.001 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000040622192 344964067 /nfs/dbraw/zinc/96/40/67/344964067.db2.gz FDFFPLXVIIHZTI-HZPDHXFCSA-N 2 1 260.425 3.110 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000040622770 344964382 /nfs/dbraw/zinc/96/43/82/344964382.db2.gz CCUSJHNWQMLADD-QQFBHYJXSA-N 2 1 290.426 3.392 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000040620837 344964427 /nfs/dbraw/zinc/96/44/27/344964427.db2.gz AWMYQHJSXCNSRR-QGZVFWFLSA-N 2 1 274.452 3.432 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040622724 344964464 /nfs/dbraw/zinc/96/44/64/344964464.db2.gz RUQUJBRCYZJHLF-MXWWQKGMSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295091290 199341029 /nfs/dbraw/zinc/34/10/29/199341029.db2.gz TVPOYMBHHFGVED-TZUVLKIQSA-N 2 1 290.426 3.362 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000044534849 345012878 /nfs/dbraw/zinc/01/28/78/345012878.db2.gz ZWEVSYUYKZRIKU-WMLDXEAASA-N 2 1 276.424 3.078 20 0 CGADMP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623944728 349924355 /nfs/dbraw/zinc/92/43/55/349924355.db2.gz PAYDTJYYDPYORW-INIZCTEOSA-N 2 1 289.467 3.341 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1CCC(C)(C)CC1 ZINC000513713766 282393827 /nfs/dbraw/zinc/39/38/27/282393827.db2.gz SWWKJUVGTOOHKW-UHFFFAOYSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000069173060 345374309 /nfs/dbraw/zinc/37/43/09/345374309.db2.gz LTOONIQNISGEJE-UHFFFAOYSA-N 2 1 293.455 3.235 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000069173060 345374310 /nfs/dbraw/zinc/37/43/10/345374310.db2.gz LTOONIQNISGEJE-UHFFFAOYSA-N 2 1 293.455 3.235 20 0 CGADMP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000091457449 345815000 /nfs/dbraw/zinc/81/50/00/345815000.db2.gz ZSMSBDPAFZNOAX-GFCCVEGCSA-N 2 1 275.421 3.440 20 0 CGADMP CCC[N@H+]1CC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000091457449 345815001 /nfs/dbraw/zinc/81/50/01/345815001.db2.gz ZSMSBDPAFZNOAX-GFCCVEGCSA-N 2 1 275.421 3.440 20 0 CGADMP Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c2cc(F)ccc2[nH+]1 ZINC000091482684 345816763 /nfs/dbraw/zinc/81/67/63/345816763.db2.gz NSYQDCKPXMQDAB-CYBMUJFWSA-N 2 1 287.382 3.436 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090106334 345783452 /nfs/dbraw/zinc/78/34/52/345783452.db2.gz DPVHSIZKNABHCK-MAURAIGZSA-N 2 1 264.457 3.274 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2Cc3ccccc3C2)[C@H](C)C1 ZINC000090853747 345796328 /nfs/dbraw/zinc/79/63/28/345796328.db2.gz UTFCWLCCKKFQPE-BEFAXECRSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H](OCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000163357188 232256529 /nfs/dbraw/zinc/25/65/29/232256529.db2.gz QXXUCZJLENPDJA-BQFCYCMXSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CCC1 ZINC000092821589 345859532 /nfs/dbraw/zinc/85/95/32/345859532.db2.gz JDXRNZXDRQXXLC-UHFFFAOYSA-N 2 1 287.451 3.420 20 0 CGADMP Cc1c[nH+]ccc1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000306584164 201847996 /nfs/dbraw/zinc/84/79/96/201847996.db2.gz QAZCUHOJHTYWRC-DOTOQJQBSA-N 2 1 281.403 3.465 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000351643308 219161100 /nfs/dbraw/zinc/16/11/00/219161100.db2.gz IMWLWHKDWVDLHV-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000351643308 219161101 /nfs/dbraw/zinc/16/11/01/219161101.db2.gz IMWLWHKDWVDLHV-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000351643308 219161104 /nfs/dbraw/zinc/16/11/04/219161104.db2.gz IMWLWHKDWVDLHV-KRWDZBQOSA-N 2 1 290.451 3.392 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000121417606 346002362 /nfs/dbraw/zinc/00/23/62/346002362.db2.gz MBOKGPSXGHDDDK-CHWSQXEVSA-N 2 1 277.437 3.110 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125462449 346017843 /nfs/dbraw/zinc/01/78/43/346017843.db2.gz UTFPCQRXRQURPC-CQSZACIVSA-N 2 1 280.843 3.340 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125462449 346017844 /nfs/dbraw/zinc/01/78/44/346017844.db2.gz UTFPCQRXRQURPC-CQSZACIVSA-N 2 1 280.843 3.340 20 0 CGADMP CC(C)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151771097 346139025 /nfs/dbraw/zinc/13/90/25/346139025.db2.gz KFHZMPWPEALVJS-UHFFFAOYSA-N 2 1 292.442 3.468 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000158141481 346163860 /nfs/dbraw/zinc/16/38/60/346163860.db2.gz PLDOAJXNIRJYAN-MLGOLLRUSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000158141481 346163863 /nfs/dbraw/zinc/16/38/63/346163863.db2.gz PLDOAJXNIRJYAN-MLGOLLRUSA-N 2 1 282.378 3.347 20 0 CGADMP C[N@@H+](CCCOc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000351691110 219176656 /nfs/dbraw/zinc/17/66/56/219176656.db2.gz IAJZRPOMYKQUTR-QGZVFWFLSA-N 2 1 290.451 3.262 20 0 CGADMP C[NH+](CCCOc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000351691110 219176658 /nfs/dbraw/zinc/17/66/58/219176658.db2.gz IAJZRPOMYKQUTR-QGZVFWFLSA-N 2 1 290.451 3.262 20 0 CGADMP C[NH+](CCCOc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000351691110 219176661 /nfs/dbraw/zinc/17/66/61/219176661.db2.gz IAJZRPOMYKQUTR-QGZVFWFLSA-N 2 1 290.451 3.262 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000251528471 346388953 /nfs/dbraw/zinc/38/89/53/346388953.db2.gz MHTDOIUWFDWYNU-CABCVRRESA-N 2 1 268.404 3.442 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000313404743 346479772 /nfs/dbraw/zinc/47/97/72/346479772.db2.gz ZDCIULKFPUPILR-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589633518 346803515 /nfs/dbraw/zinc/80/35/15/346803515.db2.gz LJVIITSMEHUASE-CQSZACIVSA-N 2 1 288.439 3.163 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261758711 282521380 /nfs/dbraw/zinc/52/13/80/282521380.db2.gz NMWUPUVLVQKLBT-FZMZJTMJSA-N 2 1 287.794 3.076 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000339278774 215060767 /nfs/dbraw/zinc/06/07/67/215060767.db2.gz CEHDJJWPRVAIHN-DOMZBBRYSA-N 2 1 266.816 3.221 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000351852273 219226210 /nfs/dbraw/zinc/22/62/10/219226210.db2.gz MHMDJICSMHYCNV-CABCVRRESA-N 2 1 278.465 3.065 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120317 349976269 /nfs/dbraw/zinc/97/62/69/349976269.db2.gz WCOUUYKSMYPOAN-SJLPKXTDSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000624120579 349976544 /nfs/dbraw/zinc/97/65/44/349976544.db2.gz BWHCIPJMOJVSDS-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000624120579 349976546 /nfs/dbraw/zinc/97/65/46/349976546.db2.gz BWHCIPJMOJVSDS-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120509 349977158 /nfs/dbraw/zinc/97/71/58/349977158.db2.gz ARIKGBPBVVKPEL-UKRRQHHQSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000624121431 349979022 /nfs/dbraw/zinc/97/90/22/349979022.db2.gz WHIHHVGYWJONSB-HUUCEWRRSA-N 2 1 288.435 3.099 20 0 CGADMP CC(C)[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000624122686 349981128 /nfs/dbraw/zinc/98/11/28/349981128.db2.gz YOVIDPRPURFPAS-WMLDXEAASA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000624122686 349981131 /nfs/dbraw/zinc/98/11/31/349981131.db2.gz YOVIDPRPURFPAS-WMLDXEAASA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000624122686 349981135 /nfs/dbraw/zinc/98/11/35/349981135.db2.gz YOVIDPRPURFPAS-WMLDXEAASA-N 2 1 293.430 3.239 20 0 CGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccncc1Cl ZINC000624123075 349981074 /nfs/dbraw/zinc/98/10/74/349981074.db2.gz FLPFBQXXXXCAEO-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000624123053 349982140 /nfs/dbraw/zinc/98/21/40/349982140.db2.gz DVBCLHFYWJNLJT-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC[NH+](CC)C[C@H](C)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000607144188 348223098 /nfs/dbraw/zinc/22/30/98/348223098.db2.gz YBZFYZUBLXSOTA-LBPRGKRZSA-N 2 1 291.826 3.452 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339409213 215151444 /nfs/dbraw/zinc/15/14/44/215151444.db2.gz XWQAONBULKUUKA-ZDUSSCGKSA-N 2 1 298.833 3.473 20 0 CGADMP C[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000339408139 215152794 /nfs/dbraw/zinc/15/27/94/215152794.db2.gz QKGHCXGTTSHGSR-XHDPSFHLSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000339408139 215152795 /nfs/dbraw/zinc/15/27/95/215152795.db2.gz QKGHCXGTTSHGSR-XHDPSFHLSA-N 2 1 284.806 3.081 20 0 CGADMP CC[N@@H+](CCCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000339409832 215153965 /nfs/dbraw/zinc/15/39/65/215153965.db2.gz NZJMPEABPXWHGC-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccnc1 ZINC000273403694 192139286 /nfs/dbraw/zinc/13/92/86/192139286.db2.gz NXGDXLMMHHNMFB-INIZCTEOSA-N 2 1 263.429 3.243 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccnc1 ZINC000273403694 192139288 /nfs/dbraw/zinc/13/92/88/192139288.db2.gz NXGDXLMMHHNMFB-INIZCTEOSA-N 2 1 263.429 3.243 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000128904917 187398478 /nfs/dbraw/zinc/39/84/78/187398478.db2.gz BMJHJKOOEVZPQF-CYBMUJFWSA-N 2 1 278.827 3.222 20 0 CGADMP C[C@@H]1C[C@H](C)C[NH+](C/C=C/C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000613319807 348589624 /nfs/dbraw/zinc/58/96/24/348589624.db2.gz PKWYBTQGFIMSOI-OKCGKKNSSA-N 2 1 278.484 3.498 20 0 CGADMP C[C@@H](F)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000352006108 219285353 /nfs/dbraw/zinc/28/53/53/219285353.db2.gz SRLLIDOZJYWOBL-HZPDHXFCSA-N 2 1 270.436 3.323 20 0 CGADMP COCC[N@@H+](CCC1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000359185537 233277488 /nfs/dbraw/zinc/27/74/88/233277488.db2.gz FQVOJCMZDPXJBX-INIZCTEOSA-N 2 1 290.451 3.086 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625785446 350213129 /nfs/dbraw/zinc/21/31/29/350213129.db2.gz CKHUHUOCRYXIPZ-QGZVFWFLSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000359630802 233349334 /nfs/dbraw/zinc/34/93/34/233349334.db2.gz HWJCOYLTKONJAF-KRWDZBQOSA-N 2 1 260.425 3.302 20 0 CGADMP CC[N@@H+](CCC(C)(C)OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063112 350254722 /nfs/dbraw/zinc/25/47/22/350254722.db2.gz RKDLUBXVWSEBNS-UHFFFAOYSA-N 2 1 292.467 3.385 20 0 CGADMP Cc1nccn1[C@@H]1CCC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000628166936 350418910 /nfs/dbraw/zinc/41/89/10/350418910.db2.gz YPCYYBJZIDOTAM-CABCVRRESA-N 2 1 279.453 3.114 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000628217087 350445261 /nfs/dbraw/zinc/44/52/61/350445261.db2.gz KHHNUBHDLNQAAW-KURKYZTESA-N 2 1 296.499 3.029 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000628308647 350491881 /nfs/dbraw/zinc/49/18/81/350491881.db2.gz BNJXXEMCYONDFA-DLBZAZTESA-N 2 1 274.452 3.420 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@]1(C)CCCS1 ZINC000628280066 350475224 /nfs/dbraw/zinc/47/52/24/350475224.db2.gz OFVVIYOIIQMBLJ-MRXNPFEDSA-N 2 1 295.496 3.443 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@]1(C)CCCS1 ZINC000628280066 350475227 /nfs/dbraw/zinc/47/52/27/350475227.db2.gz OFVVIYOIIQMBLJ-MRXNPFEDSA-N 2 1 295.496 3.443 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000628280721 350476232 /nfs/dbraw/zinc/47/62/32/350476232.db2.gz DTPJWHBXVJIQDW-NUJGCVRESA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000628280721 350476234 /nfs/dbraw/zinc/47/62/34/350476234.db2.gz DTPJWHBXVJIQDW-NUJGCVRESA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000628280721 350476237 /nfs/dbraw/zinc/47/62/37/350476237.db2.gz DTPJWHBXVJIQDW-NUJGCVRESA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000628280721 350476240 /nfs/dbraw/zinc/47/62/40/350476240.db2.gz DTPJWHBXVJIQDW-NUJGCVRESA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000628280720 350476859 /nfs/dbraw/zinc/47/68/59/350476859.db2.gz DTPJWHBXVJIQDW-JFIYKMOQSA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000628280720 350476861 /nfs/dbraw/zinc/47/68/61/350476861.db2.gz DTPJWHBXVJIQDW-JFIYKMOQSA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000628280720 350476863 /nfs/dbraw/zinc/47/68/63/350476863.db2.gz DTPJWHBXVJIQDW-JFIYKMOQSA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000628280720 350476864 /nfs/dbraw/zinc/47/68/64/350476864.db2.gz DTPJWHBXVJIQDW-JFIYKMOQSA-N 2 1 274.452 3.371 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000628425944 350536503 /nfs/dbraw/zinc/53/65/03/350536503.db2.gz ZYGNOUOWQPEDGG-RBSFLKMASA-N 2 1 284.513 3.228 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000628425517 350536985 /nfs/dbraw/zinc/53/69/85/350536985.db2.gz NVJZFSFJUOMDLL-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CCc1nc(C(C)C)ccc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000629535505 350704723 /nfs/dbraw/zinc/70/47/23/350704723.db2.gz GJOMPOABNVPDNP-KRWDZBQOSA-N 2 1 289.467 3.245 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629538723 350706831 /nfs/dbraw/zinc/70/68/31/350706831.db2.gz KXSOJDLDRAKULB-IPYPFGDCSA-N 2 1 272.392 3.094 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000629547246 350710374 /nfs/dbraw/zinc/71/03/74/350710374.db2.gz SHTVVXRHXZHMGR-DDUYRFODSA-N 2 1 278.827 3.316 20 0 CGADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000629550181 350711079 /nfs/dbraw/zinc/71/10/79/350711079.db2.gz NARFGKOOAYLDRW-GASCZTMLSA-N 2 1 292.373 3.094 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000629556440 350713015 /nfs/dbraw/zinc/71/30/15/350713015.db2.gz PRXNUIKTWZYWGA-QWRGUYRKSA-N 2 1 268.351 3.059 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1csc3ccccc13)C2 ZINC000629585263 350714500 /nfs/dbraw/zinc/71/45/00/350714500.db2.gz PAILDPPNFPLBPS-CALCHBBNSA-N 2 1 286.444 3.333 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1csc3ccccc13)C2 ZINC000629585263 350714504 /nfs/dbraw/zinc/71/45/04/350714504.db2.gz PAILDPPNFPLBPS-CALCHBBNSA-N 2 1 286.444 3.333 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000629518487 350700619 /nfs/dbraw/zinc/70/06/19/350700619.db2.gz MPYYLFIUUANCOX-MRXNPFEDSA-N 2 1 275.440 3.087 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000629518487 350700620 /nfs/dbraw/zinc/70/06/20/350700620.db2.gz MPYYLFIUUANCOX-MRXNPFEDSA-N 2 1 275.440 3.087 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629653743 350731499 /nfs/dbraw/zinc/73/14/99/350731499.db2.gz GADLTRHLZXKRKW-DGPIVGRDSA-N 2 1 298.352 3.159 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629653743 350731504 /nfs/dbraw/zinc/73/15/04/350731504.db2.gz GADLTRHLZXKRKW-DGPIVGRDSA-N 2 1 298.352 3.159 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629656763 350731616 /nfs/dbraw/zinc/73/16/16/350731616.db2.gz QHFBEXMGUSCDLE-RFGFWPKPSA-N 2 1 292.389 3.272 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(C(F)F)nc1)C[NH+]1CCCCC1 ZINC000631048228 350936202 /nfs/dbraw/zinc/93/62/02/350936202.db2.gz ZFFLAZBTMAQRMN-CYBMUJFWSA-N 2 1 297.393 3.231 20 0 CGADMP Cc1scc(C[NH2+]CCCC[N@H+](C)C2CC2)c1C ZINC000631156257 350972618 /nfs/dbraw/zinc/97/26/18/350972618.db2.gz YXBFOUKHMPCIGY-UHFFFAOYSA-N 2 1 266.454 3.329 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(C)ccn1 ZINC000631583342 351078017 /nfs/dbraw/zinc/07/80/17/351078017.db2.gz WRYRTNHVICOFKZ-JKSUJKDBSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631583342 351078020 /nfs/dbraw/zinc/07/80/20/351078020.db2.gz WRYRTNHVICOFKZ-JKSUJKDBSA-N 2 1 275.440 3.163 20 0 CGADMP Cc1cc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000631833666 351149474 /nfs/dbraw/zinc/14/94/74/351149474.db2.gz FSZPBPXXYSZCAP-MRXNPFEDSA-N 2 1 283.419 3.247 20 0 CGADMP Cc1cc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000631833666 351149478 /nfs/dbraw/zinc/14/94/78/351149478.db2.gz FSZPBPXXYSZCAP-MRXNPFEDSA-N 2 1 283.419 3.247 20 0 CGADMP FC(F)(F)c1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000631834568 351149955 /nfs/dbraw/zinc/14/99/55/351149955.db2.gz ADKVQZFRERZSLX-LBPRGKRZSA-N 2 1 298.352 3.063 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634679763 351566094 /nfs/dbraw/zinc/56/60/94/351566094.db2.gz CSHVJWXWSXRYIA-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634679763 351566096 /nfs/dbraw/zinc/56/60/96/351566096.db2.gz CSHVJWXWSXRYIA-JKSUJKDBSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000634957493 351609644 /nfs/dbraw/zinc/60/96/44/351609644.db2.gz OLKGOYVAPUHJKA-MRXNPFEDSA-N 2 1 286.463 3.254 20 0 CGADMP FC(F)(F)c1sccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635003151 351621698 /nfs/dbraw/zinc/62/16/98/351621698.db2.gz GQWSMDQOQHWCSI-ZACCUICWSA-N 2 1 290.354 3.140 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000339845079 215361017 /nfs/dbraw/zinc/36/10/17/215361017.db2.gz IHCONUWHRGQIIQ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000339845079 215361019 /nfs/dbraw/zinc/36/10/19/215361019.db2.gz IHCONUWHRGQIIQ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000339845079 215361022 /nfs/dbraw/zinc/36/10/22/215361022.db2.gz IHCONUWHRGQIIQ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000339845079 215361025 /nfs/dbraw/zinc/36/10/25/215361025.db2.gz IHCONUWHRGQIIQ-GDBMZVCRSA-N 2 1 278.827 3.256 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000123081827 187069878 /nfs/dbraw/zinc/06/98/78/187069878.db2.gz LCUURNSOFAPDFL-VYDXJSESSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000123081827 187069879 /nfs/dbraw/zinc/06/98/79/187069879.db2.gz LCUURNSOFAPDFL-VYDXJSESSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123081827 187069880 /nfs/dbraw/zinc/06/98/80/187069880.db2.gz LCUURNSOFAPDFL-VYDXJSESSA-N 2 1 260.425 3.205 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123081827 187069881 /nfs/dbraw/zinc/06/98/81/187069881.db2.gz LCUURNSOFAPDFL-VYDXJSESSA-N 2 1 260.425 3.205 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000122832016 187054174 /nfs/dbraw/zinc/05/41/74/187054174.db2.gz CIXJQDVFGCMCEG-OSMZGAPFSA-N 2 1 266.454 3.498 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000122832016 187054175 /nfs/dbraw/zinc/05/41/75/187054175.db2.gz CIXJQDVFGCMCEG-OSMZGAPFSA-N 2 1 266.454 3.498 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000123582972 187099820 /nfs/dbraw/zinc/09/98/20/187099820.db2.gz AKPXQXNRXQWNBF-AWEZNQCLSA-N 2 1 272.392 3.445 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000364052880 234016145 /nfs/dbraw/zinc/01/61/45/234016145.db2.gz DACZVFFAMIVPOQ-SFHVURJKSA-N 2 1 299.418 3.125 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000364052880 234016147 /nfs/dbraw/zinc/01/61/47/234016147.db2.gz DACZVFFAMIVPOQ-SFHVURJKSA-N 2 1 299.418 3.125 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000271506854 191181822 /nfs/dbraw/zinc/18/18/22/191181822.db2.gz MTMBSGLWQDJSFR-STQMWFEESA-N 2 1 295.390 3.316 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000364681597 234060246 /nfs/dbraw/zinc/06/02/46/234060246.db2.gz JCAXZCLNCBPFPF-WBVHZDCISA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000364681597 234060249 /nfs/dbraw/zinc/06/02/49/234060249.db2.gz JCAXZCLNCBPFPF-WBVHZDCISA-N 2 1 275.440 3.484 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000292053973 198147572 /nfs/dbraw/zinc/14/75/72/198147572.db2.gz BUXVOGDMLIVSPD-MSOLQXFVSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000292053973 198147573 /nfs/dbraw/zinc/14/75/73/198147573.db2.gz BUXVOGDMLIVSPD-MSOLQXFVSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC000292053973 198147574 /nfs/dbraw/zinc/14/75/74/198147574.db2.gz BUXVOGDMLIVSPD-MSOLQXFVSA-N 2 1 270.420 3.092 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113415 198167621 /nfs/dbraw/zinc/16/76/21/198167621.db2.gz JHSZFMCRNTVZPR-WMLDXEAASA-N 2 1 292.854 3.471 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113415 198167622 /nfs/dbraw/zinc/16/76/22/198167622.db2.gz JHSZFMCRNTVZPR-WMLDXEAASA-N 2 1 292.854 3.471 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113415 198167623 /nfs/dbraw/zinc/16/76/23/198167623.db2.gz JHSZFMCRNTVZPR-WMLDXEAASA-N 2 1 292.854 3.471 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1cccc(Cl)c1 ZINC000292113415 198167624 /nfs/dbraw/zinc/16/76/24/198167624.db2.gz JHSZFMCRNTVZPR-WMLDXEAASA-N 2 1 292.854 3.471 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnccc1C ZINC000271580359 191225149 /nfs/dbraw/zinc/22/51/49/191225149.db2.gz RFWWCZWXBLBSIB-AWEZNQCLSA-N 2 1 272.396 3.026 20 0 CGADMP CC1CC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000271574556 191221344 /nfs/dbraw/zinc/22/13/44/191221344.db2.gz ZPJRFBFBXNLQRX-UHFFFAOYSA-N 2 1 290.426 3.221 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000367983806 234267750 /nfs/dbraw/zinc/26/77/50/234267750.db2.gz QICXVYKPHZIVFC-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000367983806 234267752 /nfs/dbraw/zinc/26/77/52/234267752.db2.gz QICXVYKPHZIVFC-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152928397 188053543 /nfs/dbraw/zinc/05/35/43/188053543.db2.gz OARWJHVMPIFUFC-BBRMVZONSA-N 2 1 287.407 3.256 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000153249862 188072742 /nfs/dbraw/zinc/07/27/42/188072742.db2.gz JXPFRYMYYGXGJP-HZPDHXFCSA-N 2 1 274.452 3.345 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C2CC2)CC1 ZINC000368333315 234299984 /nfs/dbraw/zinc/29/99/84/234299984.db2.gz SVTWAPKJMVJZNF-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP COC[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000155427273 188205523 /nfs/dbraw/zinc/20/55/23/188205523.db2.gz PXZKHOROEKQSBI-KGLIPLIRSA-N 2 1 287.407 3.114 20 0 CGADMP CCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000156287495 188252970 /nfs/dbraw/zinc/25/29/70/188252970.db2.gz HFVDUPDQEWJNIB-ZOWXZIJZSA-N 2 1 266.454 3.129 20 0 CGADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000369544016 234383609 /nfs/dbraw/zinc/38/36/09/234383609.db2.gz OXJCUXBZYQGIMM-GOSISDBHSA-N 2 1 297.446 3.027 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCSCc2ccccc2F)CC[N@H+]1C ZINC000158769532 188392809 /nfs/dbraw/zinc/39/28/09/188392809.db2.gz CTRRUTJTSIVPCI-UKRRQHHQSA-N 2 1 296.455 3.131 20 0 CGADMP Cc1nccn1C[C@H]1CCC[N@H+]1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411339735 235049622 /nfs/dbraw/zinc/04/96/22/235049622.db2.gz ZBDUZUJWCZPOAM-SQNIBIBYSA-N 2 1 299.393 3.351 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271833294 191355331 /nfs/dbraw/zinc/35/53/31/191355331.db2.gz FHGKPKBALGGGPK-INIZCTEOSA-N 2 1 272.436 3.168 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1F ZINC000414076390 235330274 /nfs/dbraw/zinc/33/02/74/235330274.db2.gz QAPUUQRSODSQME-JMSVASOKSA-N 2 1 287.382 3.454 20 0 CGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC12CCC2 ZINC000337458804 295910469 /nfs/dbraw/zinc/91/04/69/295910469.db2.gz JTHDMWBCPUMPQC-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000353623865 283139662 /nfs/dbraw/zinc/13/96/62/283139662.db2.gz SGUZOKVORYBQOX-MQYQWHSLSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415102643 235530446 /nfs/dbraw/zinc/53/04/46/235530446.db2.gz BHYSEBXJIWCFLS-DVOMOZLQSA-N 2 1 279.403 3.182 20 0 CGADMP CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000273806990 192314988 /nfs/dbraw/zinc/31/49/88/192314988.db2.gz WFDCNIUPEGQYDC-WBVHZDCISA-N 2 1 292.492 3.240 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000091268702 138343952 /nfs/dbraw/zinc/34/39/52/138343952.db2.gz DLQSYOMNWUNUQY-CYBMUJFWSA-N 2 1 292.854 3.487 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC000105442828 138351762 /nfs/dbraw/zinc/35/17/62/138351762.db2.gz VOTFGSMJVHGWTK-RZIFZGNASA-N 2 1 269.392 3.131 20 0 CGADMP c1ccc(C([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000107785759 138358646 /nfs/dbraw/zinc/35/86/46/138358646.db2.gz GBGVSNAVDKKFGZ-INIZCTEOSA-N 2 1 280.415 3.365 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000106868635 138355848 /nfs/dbraw/zinc/35/58/48/138355848.db2.gz JMJBBAINDXJZFT-ZWKOTPCHSA-N 2 1 272.436 3.328 20 0 CGADMP CC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124627924 138376746 /nfs/dbraw/zinc/37/67/46/138376746.db2.gz KOHMUDDXPNVFOI-HRCADAONSA-N 2 1 290.451 3.184 20 0 CGADMP Cc1cc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000128019825 138392285 /nfs/dbraw/zinc/39/22/85/138392285.db2.gz JKYZBZNMRDOWFK-AEGPPILISA-N 2 1 262.397 3.174 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000128019825 138392286 /nfs/dbraw/zinc/39/22/86/138392286.db2.gz JKYZBZNMRDOWFK-AEGPPILISA-N 2 1 262.397 3.174 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000128019825 138392287 /nfs/dbraw/zinc/39/22/87/138392287.db2.gz JKYZBZNMRDOWFK-AEGPPILISA-N 2 1 262.397 3.174 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccccc32)CCCCC1 ZINC000423175922 235987143 /nfs/dbraw/zinc/98/71/43/235987143.db2.gz FQELKVOSNWEZFT-CQSZACIVSA-N 2 1 276.449 3.475 20 0 CGADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423224540 236000777 /nfs/dbraw/zinc/00/07/77/236000777.db2.gz CJKOIAJEEDYNED-IUCAKERBSA-N 2 1 261.196 3.381 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C1 ZINC000423261834 236013258 /nfs/dbraw/zinc/01/32/58/236013258.db2.gz LAOFPXRMNUBORQ-ZACQAIPSSA-N 2 1 289.467 3.379 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423320269 236036653 /nfs/dbraw/zinc/03/66/53/236036653.db2.gz MGNFAOALZFADAU-JOYOIKCWSA-N 2 1 281.469 3.137 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1)C1CC1 ZINC000423317875 236037035 /nfs/dbraw/zinc/03/70/35/236037035.db2.gz KTYUGNIEVRAILX-OALUTQOASA-N 2 1 298.405 3.436 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000423329639 236041333 /nfs/dbraw/zinc/04/13/33/236041333.db2.gz TVNFXZOTCDJEAL-QWHCGFSZSA-N 2 1 282.840 3.204 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423334065 236041993 /nfs/dbraw/zinc/04/19/93/236041993.db2.gz SGMXEFFPMDDUFF-UTLUCORTSA-N 2 1 291.222 3.086 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423401313 236064773 /nfs/dbraw/zinc/06/47/73/236064773.db2.gz XDNOZUBIWJEGAH-GVXVVHGQSA-N 2 1 282.815 3.140 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(-c2ccccc2)c1 ZINC000423435538 236070582 /nfs/dbraw/zinc/07/05/82/236070582.db2.gz OUHSMQKLWFMXJP-NOENWEJRSA-N 2 1 278.399 3.222 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000423497534 236087484 /nfs/dbraw/zinc/08/74/84/236087484.db2.gz ACGYOLBPNTWHRY-BBWFWOEESA-N 2 1 270.420 3.054 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)no1 ZINC000423503237 236088042 /nfs/dbraw/zinc/08/80/42/236088042.db2.gz FXABNCDNWPCIDY-ZFWWWQNUSA-N 2 1 273.380 3.114 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)ccc1Cl)CC[NH2+]CC2 ZINC000424289595 236143070 /nfs/dbraw/zinc/14/30/70/236143070.db2.gz MBUGDRWDEHMIRN-LBPRGKRZSA-N 2 1 296.817 3.443 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424350973 236155688 /nfs/dbraw/zinc/15/56/88/236155688.db2.gz MZQXJEZQZHNUCN-IQZDNPOKSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424350973 236155692 /nfs/dbraw/zinc/15/56/92/236155692.db2.gz MZQXJEZQZHNUCN-IQZDNPOKSA-N 2 1 284.447 3.285 20 0 CGADMP Cc1nc(C(C)C)oc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000428237890 236383683 /nfs/dbraw/zinc/38/36/83/236383683.db2.gz NSJKNJHRCCFISH-UHFFFAOYSA-N 2 1 288.395 3.209 20 0 CGADMP Cc1cnccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000294938667 199260337 /nfs/dbraw/zinc/26/03/37/199260337.db2.gz BPFYHMVKNZEWBM-UHFFFAOYSA-N 2 1 287.451 3.277 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436305535 237078238 /nfs/dbraw/zinc/07/82/38/237078238.db2.gz NKVFEFCLXAPEDL-MCPWVCTESA-N 2 1 294.389 3.141 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436305535 237078242 /nfs/dbraw/zinc/07/82/42/237078242.db2.gz NKVFEFCLXAPEDL-MCPWVCTESA-N 2 1 294.389 3.141 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000298221537 200364450 /nfs/dbraw/zinc/36/44/50/200364450.db2.gz ALLPBKBEKCFQBB-IVMQYODDSA-N 2 1 286.463 3.428 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000178380390 189111968 /nfs/dbraw/zinc/11/19/68/189111968.db2.gz PZTXMZXJIWLLOJ-ZMSDIMECSA-N 2 1 292.492 3.405 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000178698118 189138438 /nfs/dbraw/zinc/13/84/38/189138438.db2.gz ASSTXRDXSIZFIR-SUMWQHHRSA-N 2 1 269.392 3.105 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000178703778 189138701 /nfs/dbraw/zinc/13/87/01/189138701.db2.gz DURPOOJFKGNUOE-KBXCAEBGSA-N 2 1 283.419 3.413 20 0 CGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000179318289 189185765 /nfs/dbraw/zinc/18/57/65/189185765.db2.gz MKDTVFLYSRNRGC-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000179491786 189198008 /nfs/dbraw/zinc/19/80/08/189198008.db2.gz CKBOYSHPTBHHSH-QGZVFWFLSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000179491786 189198009 /nfs/dbraw/zinc/19/80/09/189198009.db2.gz CKBOYSHPTBHHSH-QGZVFWFLSA-N 2 1 287.382 3.340 20 0 CGADMP Cc1nc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c(C)[nH+]1 ZINC000301794477 201202453 /nfs/dbraw/zinc/20/24/53/201202453.db2.gz SJATVKYISMYYOV-MRXNPFEDSA-N 2 1 290.455 3.182 20 0 CGADMP Cc1nc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c(C)[nH+]1 ZINC000301794477 201202456 /nfs/dbraw/zinc/20/24/56/201202456.db2.gz SJATVKYISMYYOV-MRXNPFEDSA-N 2 1 290.455 3.182 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000449082080 239167008 /nfs/dbraw/zinc/16/70/08/239167008.db2.gz KFTHZJHZWKDEKA-HZPDHXFCSA-N 2 1 278.440 3.312 20 0 CGADMP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000450728711 240058786 /nfs/dbraw/zinc/05/87/86/240058786.db2.gz PSYJSAUSTMWWEU-JKSUJKDBSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000450728711 240058790 /nfs/dbraw/zinc/05/87/90/240058790.db2.gz PSYJSAUSTMWWEU-JKSUJKDBSA-N 2 1 287.451 3.133 20 0 CGADMP CC(C)C[C@]1(C)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000451287137 240265365 /nfs/dbraw/zinc/26/53/65/240265365.db2.gz FJKUVFOQZOWKNB-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@]1(C)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000451287137 240265371 /nfs/dbraw/zinc/26/53/71/240265371.db2.gz FJKUVFOQZOWKNB-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[C@]1(C)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000451287137 240265374 /nfs/dbraw/zinc/26/53/74/240265374.db2.gz FJKUVFOQZOWKNB-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275367313 193011419 /nfs/dbraw/zinc/01/14/19/193011419.db2.gz BUCVMEKZPXWAMX-ZWKOTPCHSA-N 2 1 297.446 3.365 20 0 CGADMP CCc1ccc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000120819846 370803459 /nfs/dbraw/zinc/80/34/59/370803459.db2.gz GDGZFFFVNHOZEF-HNNXBMFYSA-N 2 1 278.440 3.300 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000120819846 370803463 /nfs/dbraw/zinc/80/34/63/370803463.db2.gz GDGZFFFVNHOZEF-HNNXBMFYSA-N 2 1 278.440 3.300 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000120819846 370803468 /nfs/dbraw/zinc/80/34/68/370803468.db2.gz GDGZFFFVNHOZEF-HNNXBMFYSA-N 2 1 278.440 3.300 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3ccccc3o2)C1 ZINC000459729348 242195474 /nfs/dbraw/zinc/19/54/74/242195474.db2.gz JCMBIUBWTFWLKO-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000459747089 242208101 /nfs/dbraw/zinc/20/81/01/242208101.db2.gz ZTGBZNAFBYRGRO-ZDUSSCGKSA-N 2 1 295.496 3.262 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459784609 242232361 /nfs/dbraw/zinc/23/23/61/242232361.db2.gz OCINTDRHFZHGMT-DOTOQJQBSA-N 2 1 290.451 3.035 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c2c1 ZINC000460947790 242286679 /nfs/dbraw/zinc/28/66/79/242286679.db2.gz IHGPBLLXGDCXSH-LSDHHAIUSA-N 2 1 283.419 3.168 20 0 CGADMP Cc1ccc2c(C)cc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c2c1 ZINC000460947790 242286685 /nfs/dbraw/zinc/28/66/85/242286685.db2.gz IHGPBLLXGDCXSH-LSDHHAIUSA-N 2 1 283.419 3.168 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000462747258 242360376 /nfs/dbraw/zinc/36/03/76/242360376.db2.gz CLSRILJBJYUFTB-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000462747258 242360381 /nfs/dbraw/zinc/36/03/81/242360381.db2.gz CLSRILJBJYUFTB-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000462803091 242364598 /nfs/dbraw/zinc/36/45/98/242364598.db2.gz NCLCDIGAKPCRTL-YJBOKZPZSA-N 2 1 272.436 3.192 20 0 CGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)CC[N@@H+]1C ZINC000462881189 242372199 /nfs/dbraw/zinc/37/21/99/242372199.db2.gz LQOQGAPULRCOQX-DGCLKSJQSA-N 2 1 289.810 3.205 20 0 CGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)CC[N@H+]1C ZINC000462881189 242372204 /nfs/dbraw/zinc/37/22/04/242372204.db2.gz LQOQGAPULRCOQX-DGCLKSJQSA-N 2 1 289.810 3.205 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H]1CC=CCC1 ZINC000479611534 243116192 /nfs/dbraw/zinc/11/61/92/243116192.db2.gz WUVUOQWASMVSBN-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000486975005 243391401 /nfs/dbraw/zinc/39/14/01/243391401.db2.gz XPAYXSWYZXUNFX-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000486975005 243391405 /nfs/dbraw/zinc/39/14/05/243391405.db2.gz XPAYXSWYZXUNFX-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@H]2CC=CCC2)CCCCC1 ZINC000019231894 368745799 /nfs/dbraw/zinc/74/57/99/368745799.db2.gz PNRKVRCBVIEXSP-HNNXBMFYSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000019912881 368781777 /nfs/dbraw/zinc/78/17/77/368781777.db2.gz YYBANPIGWAXPNB-MRXNPFEDSA-N 2 1 260.425 3.349 20 0 CGADMP C[NH+](C)CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000019958403 368789464 /nfs/dbraw/zinc/78/94/64/368789464.db2.gz YDVBDKJFYJCLFO-UHFFFAOYSA-N 2 1 266.388 3.298 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000037099637 369061458 /nfs/dbraw/zinc/06/14/58/369061458.db2.gz VSFNUFGODWATAL-QWHCGFSZSA-N 2 1 278.362 3.181 20 0 CGADMP COc1ccc(C)cc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000037997603 369136252 /nfs/dbraw/zinc/13/62/52/369136252.db2.gz OXSMNRTXFDYYDM-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000495085322 244355187 /nfs/dbraw/zinc/35/51/87/244355187.db2.gz HMJLNZUEWMQRMC-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000495085322 244355192 /nfs/dbraw/zinc/35/51/92/244355192.db2.gz HMJLNZUEWMQRMC-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000495085322 244355197 /nfs/dbraw/zinc/35/51/97/244355197.db2.gz HMJLNZUEWMQRMC-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495085322 244355199 /nfs/dbraw/zinc/35/51/99/244355199.db2.gz HMJLNZUEWMQRMC-QRQLOZEOSA-N 2 1 286.463 3.281 20 0 CGADMP Cc1cc(Cl)cc(C)c1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000495107682 244357614 /nfs/dbraw/zinc/35/76/14/244357614.db2.gz JWOUKBFDDUKPSG-RHSMWYFYSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000495107682 244357615 /nfs/dbraw/zinc/35/76/15/244357615.db2.gz JWOUKBFDDUKPSG-RHSMWYFYSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000495107682 244357619 /nfs/dbraw/zinc/35/76/19/244357619.db2.gz JWOUKBFDDUKPSG-RHSMWYFYSA-N 2 1 292.854 3.483 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000049329717 369398400 /nfs/dbraw/zinc/39/84/00/369398400.db2.gz GCOBCCFZAJGLTO-MZHSRFCDSA-N 2 1 287.451 3.386 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553321 369408764 /nfs/dbraw/zinc/40/87/64/369408764.db2.gz DVZFTNWUJIGQJZ-UONOGXRCSA-N 2 1 264.413 3.076 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2sccc21 ZINC000061324672 369598660 /nfs/dbraw/zinc/59/86/60/369598660.db2.gz HIGVMUCMLSUWGM-AWEZNQCLSA-N 2 1 266.454 3.447 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(C)s1 ZINC000063192210 369643815 /nfs/dbraw/zinc/64/38/15/369643815.db2.gz HCAIKWUZDBEDNT-RISCZKNCSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(C)s1 ZINC000063192210 369643819 /nfs/dbraw/zinc/64/38/19/369643819.db2.gz HCAIKWUZDBEDNT-RISCZKNCSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1Cl ZINC000069753962 369769558 /nfs/dbraw/zinc/76/95/58/369769558.db2.gz FYBRBDLXZSMKMI-UHFFFAOYSA-N 2 1 263.772 3.025 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000070148815 369781590 /nfs/dbraw/zinc/78/15/90/369781590.db2.gz HQJVGOCTKMXNJD-CQSZACIVSA-N 2 1 297.240 3.152 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1 ZINC000070148815 369781592 /nfs/dbraw/zinc/78/15/92/369781592.db2.gz HQJVGOCTKMXNJD-CQSZACIVSA-N 2 1 297.240 3.152 20 0 CGADMP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070170583 369786233 /nfs/dbraw/zinc/78/62/33/369786233.db2.gz NDRKYGFESSLRRJ-QGZVFWFLSA-N 2 1 290.451 3.133 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000086115716 370019102 /nfs/dbraw/zinc/01/91/02/370019102.db2.gz WKMZDIZHSIVJFC-GOSISDBHSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000089607685 370044361 /nfs/dbraw/zinc/04/43/61/370044361.db2.gz IEGQZQJNWAIBJY-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CC[N@H+]1C ZINC000090721200 370066364 /nfs/dbraw/zinc/06/63/64/370066364.db2.gz CNSBBWBBFIWYBW-RHSMWYFYSA-N 2 1 268.404 3.412 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cs1 ZINC000093564144 370142625 /nfs/dbraw/zinc/14/26/25/370142625.db2.gz MDTKMKXJNHCCNC-OAHLLOKOSA-N 2 1 264.438 3.198 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cs1 ZINC000093564144 370142629 /nfs/dbraw/zinc/14/26/29/370142629.db2.gz MDTKMKXJNHCCNC-OAHLLOKOSA-N 2 1 264.438 3.198 20 0 CGADMP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093596860 370144711 /nfs/dbraw/zinc/14/47/11/370144711.db2.gz HRQGKZVFEXUZOB-QGZVFWFLSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093596860 370144717 /nfs/dbraw/zinc/14/47/17/370144717.db2.gz HRQGKZVFEXUZOB-QGZVFWFLSA-N 2 1 288.435 3.003 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)o1 ZINC000093639075 370150757 /nfs/dbraw/zinc/15/07/57/370150757.db2.gz VFLHHPMNNVMBJQ-XJKSGUPXSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)o1 ZINC000093639075 370150759 /nfs/dbraw/zinc/15/07/59/370150759.db2.gz VFLHHPMNNVMBJQ-XJKSGUPXSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)o1 ZINC000093639075 370150761 /nfs/dbraw/zinc/15/07/61/370150761.db2.gz VFLHHPMNNVMBJQ-XJKSGUPXSA-N 2 1 264.413 3.004 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)o1 ZINC000093639075 370150764 /nfs/dbraw/zinc/15/07/64/370150764.db2.gz VFLHHPMNNVMBJQ-XJKSGUPXSA-N 2 1 264.413 3.004 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000512147059 245021674 /nfs/dbraw/zinc/02/16/74/245021674.db2.gz JJBKWCIVALQILI-DSLCMKTCSA-N 2 1 292.373 3.194 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000512147059 245021678 /nfs/dbraw/zinc/02/16/78/245021678.db2.gz JJBKWCIVALQILI-DSLCMKTCSA-N 2 1 292.373 3.194 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C[C@H](C)O1 ZINC000512278717 245030585 /nfs/dbraw/zinc/03/05/85/245030585.db2.gz KLIOIHYBUAHFFH-QXDIGNSFSA-N 2 1 296.499 3.290 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000113513310 370476629 /nfs/dbraw/zinc/47/66/29/370476629.db2.gz ONNZVTSSTIVDSZ-INIZCTEOSA-N 2 1 298.430 3.102 20 0 CGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cc[nH]c2)C[N@H+]1Cc1ccccc1 ZINC000513504749 245082720 /nfs/dbraw/zinc/08/27/20/245082720.db2.gz FHSJQMITXXWMEI-WMZOPIPTSA-N 2 1 297.446 3.405 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000513683605 245089956 /nfs/dbraw/zinc/08/99/56/245089956.db2.gz LOVDLSWECUXUPE-RNJTYBCJSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198452 370492943 /nfs/dbraw/zinc/49/29/43/370492943.db2.gz WWWZFLIVPJHKEB-QWHCGFSZSA-N 2 1 266.816 3.285 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198452 370492947 /nfs/dbraw/zinc/49/29/47/370492947.db2.gz WWWZFLIVPJHKEB-QWHCGFSZSA-N 2 1 266.816 3.285 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131978091 371143266 /nfs/dbraw/zinc/14/32/66/371143266.db2.gz SIMTWRNEUHPZTR-YIONKMFJSA-N 2 1 280.362 3.339 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131503656 371112490 /nfs/dbraw/zinc/11/24/90/371112490.db2.gz FTFZUKQOOXQHFX-WOPDTQHZSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)CC[N@H+]1C ZINC000132085133 371149665 /nfs/dbraw/zinc/14/96/65/371149665.db2.gz LTOMBYUONDJUON-PBHICJAKSA-N 2 1 290.426 3.320 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000132081425 371150865 /nfs/dbraw/zinc/15/08/65/371150865.db2.gz WOHJKWDIXTUTQN-CABCVRRESA-N 2 1 258.390 3.291 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000132161839 371156339 /nfs/dbraw/zinc/15/63/39/371156339.db2.gz LUBPKJWWKOPAEW-ZDUSSCGKSA-N 2 1 295.446 3.130 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132229255 371159359 /nfs/dbraw/zinc/15/93/59/371159359.db2.gz HCZZDDZMSMVNOU-HIFRSBDPSA-N 2 1 284.403 3.018 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CCOCC1)CC(C)C ZINC000132944719 371213378 /nfs/dbraw/zinc/21/33/78/371213378.db2.gz XEMPMLLMKBJBIV-WBVHZDCISA-N 2 1 284.488 3.148 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000331841441 204221675 /nfs/dbraw/zinc/22/16/75/204221675.db2.gz TYQODXRNVJTRDM-MCIONIFRSA-N 2 1 262.397 3.153 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150750018 371536240 /nfs/dbraw/zinc/53/62/40/371536240.db2.gz SMYPEJISSQXWNL-KRWDZBQOSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000152010104 371664006 /nfs/dbraw/zinc/66/40/06/371664006.db2.gz DKQTXKPUBIUIIS-HLLBOEOZSA-N 2 1 260.425 3.028 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCCCC1 ZINC000421825765 371646920 /nfs/dbraw/zinc/64/69/20/371646920.db2.gz PFTPZJJHKHHIBT-CABCVRRESA-N 2 1 293.455 3.155 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccncc1Cl ZINC000421863719 371686605 /nfs/dbraw/zinc/68/66/05/371686605.db2.gz XNZGKTCKFRXVBV-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccc(C)cc2)[C@H](C)C1 ZINC000152947659 371738245 /nfs/dbraw/zinc/73/82/45/371738245.db2.gz XHWIXUNILSSNNN-SJLPKXTDSA-N 2 1 290.451 3.084 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000153262358 371758983 /nfs/dbraw/zinc/75/89/83/371758983.db2.gz QRQHXVOOGWHYFH-DOTOQJQBSA-N 2 1 274.452 3.202 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422718089 371765759 /nfs/dbraw/zinc/76/57/59/371765759.db2.gz WMIJQYSXUDHTGU-HYVNUMGLSA-N 2 1 260.425 3.422 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)c21 ZINC000422723193 371770671 /nfs/dbraw/zinc/77/06/71/371770671.db2.gz ZVHBSIISKDBXNN-ZDUSSCGKSA-N 2 1 294.402 3.177 20 0 CGADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000422735939 371774542 /nfs/dbraw/zinc/77/45/42/371774542.db2.gz FPLKIHWOONPQTG-HOCLYGCPSA-N 2 1 287.432 3.034 20 0 CGADMP C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1c[nH+]ccc1N ZINC000422739678 371778294 /nfs/dbraw/zinc/77/82/94/371778294.db2.gz LVTFRIDFRYZCMU-OAHLLOKOSA-N 2 1 298.434 3.061 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000422749354 371782791 /nfs/dbraw/zinc/78/27/91/371782791.db2.gz YTNUVPCLXDRLMQ-GRYCIOLGSA-N 2 1 268.351 3.004 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2ccccc2o1 ZINC000422758426 371789348 /nfs/dbraw/zinc/78/93/48/371789348.db2.gz DRYGAXMGZDGPCG-YXQSOJMXSA-N 2 1 270.376 3.366 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000337339266 214017129 /nfs/dbraw/zinc/01/71/29/214017129.db2.gz RHDJHYDKJDJSSA-UHFFFAOYSA-N 2 1 256.393 3.223 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000337339266 214017133 /nfs/dbraw/zinc/01/71/33/214017133.db2.gz RHDJHYDKJDJSSA-UHFFFAOYSA-N 2 1 256.393 3.223 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422798439 371816367 /nfs/dbraw/zinc/81/63/67/371816367.db2.gz RBYABKQZUCEGOA-MQIPJXDCSA-N 2 1 282.378 3.189 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000422806059 371820336 /nfs/dbraw/zinc/82/03/36/371820336.db2.gz HRNZEYBIXVZENZ-SDDRHHMPSA-N 2 1 268.351 3.004 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000422806563 371823286 /nfs/dbraw/zinc/82/32/86/371823286.db2.gz NQFFEWHGLBZXOL-UKRRQHHQSA-N 2 1 281.403 3.265 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](CC)[NH+]2CCCC2)C12CCCC2 ZINC000344088107 217043693 /nfs/dbraw/zinc/04/36/93/217043693.db2.gz NKYMXUWSBZTFGU-GVDBMIGSSA-N 2 1 294.483 3.188 20 0 CGADMP Fc1ccccc1[C@H]([NH2+]C1CC[NH2+]CC1)C1CCCC1 ZINC000422874958 371848648 /nfs/dbraw/zinc/84/86/48/371848648.db2.gz OHPYHPVTMDFOHQ-QGZVFWFLSA-N 2 1 276.399 3.399 20 0 CGADMP C[C@@H]([NH2+]CCCOc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422884935 371853285 /nfs/dbraw/zinc/85/32/85/371853285.db2.gz GAZNOZSOGJTWPF-BEFAXECRSA-N 2 1 298.430 3.339 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422890203 371855652 /nfs/dbraw/zinc/85/56/52/371855652.db2.gz HWVMTSATQKEXLK-MOPGFXCFSA-N 2 1 296.414 3.235 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422901874 371860468 /nfs/dbraw/zinc/86/04/68/371860468.db2.gz SPNSVYYVZCYYBX-HNNXBMFYSA-N 2 1 299.418 3.312 20 0 CGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422900587 371860549 /nfs/dbraw/zinc/86/05/49/371860549.db2.gz JRXQXYSIYUKTRQ-UBDQQSCGSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422909728 371863579 /nfs/dbraw/zinc/86/35/79/371863579.db2.gz OWRBGNSZXWYTLT-HOCLYGCPSA-N 2 1 290.476 3.432 20 0 CGADMP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423060480 371939588 /nfs/dbraw/zinc/93/95/88/371939588.db2.gz OMUNGDWXDPEAGX-SJORKVTESA-N 2 1 289.467 3.281 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCC(F)(F)F)CC[N@@H+]1C ZINC000154959972 371892478 /nfs/dbraw/zinc/89/24/78/371892478.db2.gz MLTUQUWHMBMMBM-NEPJUHHUSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCC(F)(F)F)CC[N@H+]1C ZINC000154959972 371892483 /nfs/dbraw/zinc/89/24/83/371892483.db2.gz MLTUQUWHMBMMBM-NEPJUHHUSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCC(F)(F)F)CC[NH+]1C ZINC000154959972 371892488 /nfs/dbraw/zinc/89/24/88/371892488.db2.gz MLTUQUWHMBMMBM-NEPJUHHUSA-N 2 1 266.351 3.134 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCC(F)(F)F)CC[NH+]1C ZINC000154959972 371892491 /nfs/dbraw/zinc/89/24/91/371892491.db2.gz MLTUQUWHMBMMBM-NEPJUHHUSA-N 2 1 266.351 3.134 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422999928 371907550 /nfs/dbraw/zinc/90/75/50/371907550.db2.gz GAKUHHSTQYPKGE-ZDUSSCGKSA-N 2 1 299.418 3.131 20 0 CGADMP COc1cc(C)cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423004730 371910430 /nfs/dbraw/zinc/91/04/30/371910430.db2.gz PYTHJFRDRRNNBO-MSOLQXFVSA-N 2 1 282.387 3.238 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2cc(C3CC3)ccn2)[C@@H](C)C1 ZINC000290184618 371927673 /nfs/dbraw/zinc/92/76/73/371927673.db2.gz NUZUVVDFBZTEGI-SWLSCSKDSA-N 2 1 259.397 3.101 20 0 CGADMP CC[N@@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H](C)C1 ZINC000290184618 371927680 /nfs/dbraw/zinc/92/76/80/371927680.db2.gz NUZUVVDFBZTEGI-SWLSCSKDSA-N 2 1 259.397 3.101 20 0 CGADMP CC[N@H+]1CC[C@@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H](C)C1 ZINC000290184618 371927688 /nfs/dbraw/zinc/92/76/88/371927688.db2.gz NUZUVVDFBZTEGI-SWLSCSKDSA-N 2 1 259.397 3.101 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423094518 371961121 /nfs/dbraw/zinc/96/11/21/371961121.db2.gz KGXRBRXTLNGRIN-DLKVLKDVSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423096702 371961720 /nfs/dbraw/zinc/96/17/20/371961720.db2.gz IDGSVOXYUYTGIM-CCGTUFIJSA-N 2 1 272.436 3.227 20 0 CGADMP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000423112104 371972119 /nfs/dbraw/zinc/97/21/19/371972119.db2.gz XCBGFSBTEPZPMX-KKUMJFAQSA-N 2 1 298.352 3.293 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cs2)C1 ZINC000290368243 371973908 /nfs/dbraw/zinc/97/39/08/371973908.db2.gz HGOIJMJCYBZBLV-FZMZJTMJSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cs2)C1 ZINC000290368243 371973914 /nfs/dbraw/zinc/97/39/14/371973914.db2.gz HGOIJMJCYBZBLV-FZMZJTMJSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cs2)C1 ZINC000290368243 371973921 /nfs/dbraw/zinc/97/39/21/371973921.db2.gz HGOIJMJCYBZBLV-FZMZJTMJSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cs2)C1 ZINC000290368243 371973929 /nfs/dbraw/zinc/97/39/29/371973929.db2.gz HGOIJMJCYBZBLV-FZMZJTMJSA-N 2 1 284.856 3.318 20 0 CGADMP FC1(F)CC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423127806 371980310 /nfs/dbraw/zinc/98/03/10/371980310.db2.gz KDRBTZWYKUIPEI-HUUCEWRRSA-N 2 1 280.362 3.115 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CSCc3ccccc32)CC1 ZINC000037236838 541863709 /nfs/dbraw/zinc/86/37/09/541863709.db2.gz BLQDBARGOGIDOY-KRWDZBQOSA-N 2 1 290.476 3.437 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CSCc3ccccc32)CC1 ZINC000037236836 541863754 /nfs/dbraw/zinc/86/37/54/541863754.db2.gz BLQDBARGOGIDOY-QGZVFWFLSA-N 2 1 290.476 3.437 20 0 CGADMP Fc1cc(C2CC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423133618 371984985 /nfs/dbraw/zinc/98/49/85/371984985.db2.gz QQTNCYBNJLJLFQ-XYPWUTKMSA-N 2 1 274.383 3.076 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000156623792 371988042 /nfs/dbraw/zinc/98/80/42/371988042.db2.gz UDOYNXCWBOAJDV-FZKCQIBNSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000423162474 371998464 /nfs/dbraw/zinc/99/84/64/371998464.db2.gz PLBGECJXEKRKIJ-MOPGFXCFSA-N 2 1 295.430 3.281 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1ccc(F)cc1 ZINC000290488534 372000388 /nfs/dbraw/zinc/00/03/88/372000388.db2.gz OLCWDUQMECIYCA-KYJSFNMBSA-N 2 1 290.426 3.345 20 0 CGADMP CCCNc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423070809 371947978 /nfs/dbraw/zinc/94/79/78/371947978.db2.gz DNSJZSQABIFZSK-CYBMUJFWSA-N 2 1 284.407 3.167 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)o1 ZINC000423174823 372003665 /nfs/dbraw/zinc/00/36/65/372003665.db2.gz CCGINNOUAFSQEJ-LBPRGKRZSA-N 2 1 250.386 3.209 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423083920 371954534 /nfs/dbraw/zinc/95/45/34/371954534.db2.gz ZNHDZARXYRALMN-SJORKVTESA-N 2 1 258.409 3.184 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@H](C2CC2)C2CCCC2)c1 ZINC000423189331 372016481 /nfs/dbraw/zinc/01/64/81/372016481.db2.gz PFCDFQHQCJSWRO-SFHVURJKSA-N 2 1 287.451 3.120 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000290553799 372017061 /nfs/dbraw/zinc/01/70/61/372017061.db2.gz RYPIMJGWMVLCRV-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000290553799 372017063 /nfs/dbraw/zinc/01/70/63/372017063.db2.gz RYPIMJGWMVLCRV-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CC(C)C[C@H]([NH2+]CC[NH3+])c1cccc(Br)c1 ZINC000423194309 372019759 /nfs/dbraw/zinc/01/97/59/372019759.db2.gz XRGYPOXVFCDMFL-ZDUSSCGKSA-N 2 1 285.229 3.085 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423202513 372026875 /nfs/dbraw/zinc/02/68/75/372026875.db2.gz QTLIAZVUXLNTHU-KRWDZBQOSA-N 2 1 272.367 3.114 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423205660 372028778 /nfs/dbraw/zinc/02/87/78/372028778.db2.gz FKQRXADHLUIMJG-IAQYHMDHSA-N 2 1 268.351 3.005 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000423277214 372045759 /nfs/dbraw/zinc/04/57/59/372045759.db2.gz NXVMWGUPVDCHCC-QWHCGFSZSA-N 2 1 285.218 3.308 20 0 CGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)CCCO2 ZINC000423277436 372046620 /nfs/dbraw/zinc/04/66/20/372046620.db2.gz PPJSHUOKZWCQRU-HOTGVXAUSA-N 2 1 276.424 3.090 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000423331235 372054087 /nfs/dbraw/zinc/05/40/87/372054087.db2.gz PYJOGNITPAQSQT-QAPCUYQASA-N 2 1 268.404 3.297 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000158163536 372055588 /nfs/dbraw/zinc/05/55/88/372055588.db2.gz PFAMVXAPHLCVSZ-QWRGUYRKSA-N 2 1 286.341 3.096 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)c(F)c(F)c1 ZINC000158163536 372055594 /nfs/dbraw/zinc/05/55/94/372055594.db2.gz PFAMVXAPHLCVSZ-QWRGUYRKSA-N 2 1 286.341 3.096 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158133125 372056220 /nfs/dbraw/zinc/05/62/20/372056220.db2.gz HZRHZMDVBMOADX-WBVHZDCISA-N 2 1 288.435 3.140 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000158152478 372056343 /nfs/dbraw/zinc/05/63/43/372056343.db2.gz IGVBEFSUAWOVST-DZGCQCFKSA-N 2 1 276.424 3.225 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000158152478 372056351 /nfs/dbraw/zinc/05/63/51/372056351.db2.gz IGVBEFSUAWOVST-DZGCQCFKSA-N 2 1 276.424 3.225 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)CC[NH2+]1 ZINC000423364896 372056782 /nfs/dbraw/zinc/05/67/82/372056782.db2.gz BMLFUMTXUPJWRY-BLFANLJRSA-N 2 1 282.478 3.404 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185991 372058059 /nfs/dbraw/zinc/05/80/59/372058059.db2.gz RWZHTOPEBZIWFH-QWHCGFSZSA-N 2 1 278.465 3.229 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185991 372058064 /nfs/dbraw/zinc/05/80/64/372058064.db2.gz RWZHTOPEBZIWFH-QWHCGFSZSA-N 2 1 278.465 3.229 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cccc3F)CCCCC1 ZINC000423176835 372007378 /nfs/dbraw/zinc/00/73/78/372007378.db2.gz IBSJDFNDQXOSKU-OAHLLOKOSA-N 2 1 262.372 3.064 20 0 CGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423180506 372008844 /nfs/dbraw/zinc/00/88/44/372008844.db2.gz FASJHPNWUMQGEP-VNQPRFMTSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423179000 372009615 /nfs/dbraw/zinc/00/96/15/372009615.db2.gz CQLWAJQRMJKRRC-NOOOWODRSA-N 2 1 284.856 3.235 20 0 CGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184481 372013134 /nfs/dbraw/zinc/01/31/34/372013134.db2.gz IDJLPCKBMKCFBE-DNVCBOLYSA-N 2 1 295.430 3.084 20 0 CGADMP CCC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccn1 ZINC000423185025 372013298 /nfs/dbraw/zinc/01/32/98/372013298.db2.gz UNCKWBOPPPBINP-CQSZACIVSA-N 2 1 261.413 3.174 20 0 CGADMP Cc1cccc(C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)c1 ZINC000158251289 372062558 /nfs/dbraw/zinc/06/25/58/372062558.db2.gz XIHLYRMWJAAICS-MJGOQNOKSA-N 2 1 286.463 3.248 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)C1CCCC1 ZINC000423497973 372070939 /nfs/dbraw/zinc/07/09/39/372070939.db2.gz ASBIKUDBAUFTRV-HZPDHXFCSA-N 2 1 278.827 3.434 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CC1CCCCCC1)CC[NH2+]CC2 ZINC000424293031 372081193 /nfs/dbraw/zinc/08/11/93/372081193.db2.gz PGNZOVUIPOHTIM-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000291353060 372166519 /nfs/dbraw/zinc/16/65/19/372166519.db2.gz XMNCUCUKZJLNOE-IIDMSEBBSA-N 2 1 272.436 3.190 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000159312454 372131118 /nfs/dbraw/zinc/13/11/18/372131118.db2.gz ZHWNFJCGYBPBLG-QGZVFWFLSA-N 2 1 290.476 3.091 20 0 CGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cocn2)C[N@H+]1Cc1ccccc1 ZINC000428869065 372275125 /nfs/dbraw/zinc/27/51/25/372275125.db2.gz CCHGOUDDNIBMGU-NVXWUHKLSA-N 2 1 299.418 3.065 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000429039258 372307695 /nfs/dbraw/zinc/30/76/95/372307695.db2.gz HNCFYHYEFOSZPT-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000429039258 372307702 /nfs/dbraw/zinc/30/77/02/372307702.db2.gz HNCFYHYEFOSZPT-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000429039258 372307707 /nfs/dbraw/zinc/30/77/07/372307707.db2.gz HNCFYHYEFOSZPT-ZACQAIPSSA-N 2 1 264.457 3.230 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000161511550 372330564 /nfs/dbraw/zinc/33/05/64/372330564.db2.gz KUBRRTUYHVDOHJ-LLVKDONJSA-N 2 1 282.815 3.093 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000161511435 372331600 /nfs/dbraw/zinc/33/16/00/372331600.db2.gz KUBRRTUYHVDOHJ-NSHDSACASA-N 2 1 282.815 3.093 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000293239223 372333784 /nfs/dbraw/zinc/33/37/84/372333784.db2.gz BBBPHWPKKDQAPH-KRWDZBQOSA-N 2 1 290.451 3.184 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000429296216 372346274 /nfs/dbraw/zinc/34/62/74/372346274.db2.gz RKYJVRRFWONWBT-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000429296216 372346277 /nfs/dbraw/zinc/34/62/77/372346277.db2.gz RKYJVRRFWONWBT-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)c1 ZINC000429296216 372346282 /nfs/dbraw/zinc/34/62/82/372346282.db2.gz RKYJVRRFWONWBT-KRWDZBQOSA-N 2 1 260.425 3.220 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000429523166 372373446 /nfs/dbraw/zinc/37/34/46/372373446.db2.gz RFLDBYIGRKUNPQ-JYJNAYRXSA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000429523166 372373455 /nfs/dbraw/zinc/37/34/55/372373455.db2.gz RFLDBYIGRKUNPQ-JYJNAYRXSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCCc2ccccc2)CC[N@H+]1C ZINC000162434260 372395390 /nfs/dbraw/zinc/39/53/90/372395390.db2.gz CZBSISJELLQYBE-WMZOPIPTSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000430972508 372411380 /nfs/dbraw/zinc/41/13/80/372411380.db2.gz QCZJAKLAGJTUGU-RDTXWAMCSA-N 2 1 268.404 3.051 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000162956257 372437293 /nfs/dbraw/zinc/43/72/93/372437293.db2.gz OUNSJRZFVQBMJE-OCCSQVGLSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000162956257 372437300 /nfs/dbraw/zinc/43/73/00/372437300.db2.gz OUNSJRZFVQBMJE-OCCSQVGLSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC000162956257 372437308 /nfs/dbraw/zinc/43/73/08/372437308.db2.gz OUNSJRZFVQBMJE-OCCSQVGLSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)s1 ZINC000162956257 372437313 /nfs/dbraw/zinc/43/73/13/372437313.db2.gz OUNSJRZFVQBMJE-OCCSQVGLSA-N 2 1 281.469 3.237 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1C)CC2 ZINC000164617609 372526365 /nfs/dbraw/zinc/52/63/65/372526365.db2.gz VKOXGRDLNREGRR-GOSISDBHSA-N 2 1 299.418 3.257 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000165322738 372550133 /nfs/dbraw/zinc/55/01/33/372550133.db2.gz SNVPPHCZDKFNCS-AEFFLSMTSA-N 2 1 298.430 3.495 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000165322738 372550143 /nfs/dbraw/zinc/55/01/43/372550143.db2.gz SNVPPHCZDKFNCS-AEFFLSMTSA-N 2 1 298.430 3.495 20 0 CGADMP CCCOc1cc(C)ccc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167676246 372599025 /nfs/dbraw/zinc/59/90/25/372599025.db2.gz YPDHDCHOYWPDFT-RDJZCZTQSA-N 2 1 290.451 3.214 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000167676246 372599033 /nfs/dbraw/zinc/59/90/33/372599033.db2.gz YPDHDCHOYWPDFT-RDJZCZTQSA-N 2 1 290.451 3.214 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000167676246 372599042 /nfs/dbraw/zinc/59/90/42/372599042.db2.gz YPDHDCHOYWPDFT-RDJZCZTQSA-N 2 1 290.451 3.214 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167676246 372599050 /nfs/dbraw/zinc/59/90/50/372599050.db2.gz YPDHDCHOYWPDFT-RDJZCZTQSA-N 2 1 290.451 3.214 20 0 CGADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165301344 372547174 /nfs/dbraw/zinc/54/71/74/372547174.db2.gz LFYKHEVFJAQYGR-AEFFLSMTSA-N 2 1 274.452 3.185 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000168758072 372619828 /nfs/dbraw/zinc/61/98/28/372619828.db2.gz HXIHQSSXLHBYQN-CPUCHLNUSA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000168758072 372619832 /nfs/dbraw/zinc/61/98/32/372619832.db2.gz HXIHQSSXLHBYQN-CPUCHLNUSA-N 2 1 276.399 3.493 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000294236491 372622904 /nfs/dbraw/zinc/62/29/04/372622904.db2.gz OSMJLXRVTHFNRU-STQMWFEESA-N 2 1 252.427 3.049 20 0 CGADMP C[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000294671096 372666318 /nfs/dbraw/zinc/66/63/18/372666318.db2.gz CRKOOTVCCJVDCQ-CYBMUJFWSA-N 2 1 296.405 3.342 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)no1 ZINC000353380354 220052427 /nfs/dbraw/zinc/05/24/27/220052427.db2.gz BBAGBBKERXNVPA-UKRRQHHQSA-N 2 1 279.428 3.288 20 0 CGADMP C[N@H+](Cc1cnc(C2CCCC2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435439025 372765149 /nfs/dbraw/zinc/76/51/49/372765149.db2.gz SNWRAMWDYJYFGN-CQSZACIVSA-N 2 1 293.480 3.375 20 0 CGADMP C[N@@H+](Cc1cnc(C2CCCC2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435439025 372765162 /nfs/dbraw/zinc/76/51/62/372765162.db2.gz SNWRAMWDYJYFGN-CQSZACIVSA-N 2 1 293.480 3.375 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000435374879 372753193 /nfs/dbraw/zinc/75/31/93/372753193.db2.gz RXCDNXUHHJGGOP-KBPBESRZSA-N 2 1 270.376 3.116 20 0 CGADMP CCOc1cccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435373125 372753692 /nfs/dbraw/zinc/75/36/92/372753692.db2.gz UAQWLVCSKLJUPB-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435618023 372784488 /nfs/dbraw/zinc/78/44/88/372784488.db2.gz PCKXWFMUYRPXTD-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000438093669 372876572 /nfs/dbraw/zinc/87/65/72/372876572.db2.gz LRHABRHEHJTAHK-QRVBRYPASA-N 2 1 286.463 3.427 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000438114200 372888304 /nfs/dbraw/zinc/88/83/04/372888304.db2.gz DJJBLBFDAKANBC-JKSUJKDBSA-N 2 1 290.426 3.347 20 0 CGADMP C(C[C@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000438209759 372913941 /nfs/dbraw/zinc/91/39/41/372913941.db2.gz SVULVLQVTAYYBA-ROUUACIJSA-N 2 1 294.483 3.047 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccccc1F)C(C)C ZINC000438217038 372914117 /nfs/dbraw/zinc/91/41/17/372914117.db2.gz SFCOAOXICZTZJF-AWEZNQCLSA-N 2 1 266.404 3.077 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccccc1F)C(C)C ZINC000438217038 372914125 /nfs/dbraw/zinc/91/41/25/372914125.db2.gz SFCOAOXICZTZJF-AWEZNQCLSA-N 2 1 266.404 3.077 20 0 CGADMP CCc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000295971253 372979399 /nfs/dbraw/zinc/97/93/99/372979399.db2.gz NXYZUCQYCQKYHI-RLAWYHOSSA-N 2 1 262.397 3.118 20 0 CGADMP Clc1c[nH+]ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000296153687 373038429 /nfs/dbraw/zinc/03/84/29/373038429.db2.gz YGBUGUDKIVIKKG-UHFFFAOYSA-N 2 1 265.788 3.164 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1scnc1C ZINC000344817956 217321048 /nfs/dbraw/zinc/32/10/48/217321048.db2.gz KSEBLIYJMISEOC-CABCVRRESA-N 2 1 295.496 3.442 20 0 CGADMP CCc1ccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442781714 373079952 /nfs/dbraw/zinc/07/99/52/373079952.db2.gz OSCNOCMMFZMHOL-JWTNVVGKSA-N 2 1 272.436 3.006 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442790041 373081545 /nfs/dbraw/zinc/08/15/45/373081545.db2.gz ZWTGWOKZZPKFOS-FIXISWKDSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442790041 373081550 /nfs/dbraw/zinc/08/15/50/373081550.db2.gz ZWTGWOKZZPKFOS-FIXISWKDSA-N 2 1 268.351 3.085 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000296363973 373104996 /nfs/dbraw/zinc/10/49/96/373104996.db2.gz RBSXIDFWNVBKIS-IRXDYDNUSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000296363973 373105004 /nfs/dbraw/zinc/10/50/04/373105004.db2.gz RBSXIDFWNVBKIS-IRXDYDNUSA-N 2 1 288.435 3.014 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000443652335 373160564 /nfs/dbraw/zinc/16/05/64/373160564.db2.gz GDIZRZREWPSDHY-BZSNNMDCSA-N 2 1 276.468 3.397 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442927591 373128161 /nfs/dbraw/zinc/12/81/61/373128161.db2.gz OGERJDILAPSIMU-CQSZACIVSA-N 2 1 278.465 3.359 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918280 373216015 /nfs/dbraw/zinc/21/60/15/373216015.db2.gz OBKFDVINGAWUTB-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918280 373216024 /nfs/dbraw/zinc/21/60/24/373216024.db2.gz OBKFDVINGAWUTB-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918280 373216029 /nfs/dbraw/zinc/21/60/29/373216029.db2.gz OBKFDVINGAWUTB-MAUKXSAKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(OC)cc1 ZINC000444570653 373203923 /nfs/dbraw/zinc/20/39/23/373203923.db2.gz IEEMIHHMJMRLDK-UHFFFAOYSA-N 2 1 290.451 3.393 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444596786 373205788 /nfs/dbraw/zinc/20/57/88/373205788.db2.gz NWQNYPTVRMHCHM-INIZCTEOSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444596786 373205795 /nfs/dbraw/zinc/20/57/95/373205795.db2.gz NWQNYPTVRMHCHM-INIZCTEOSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000445312471 373309753 /nfs/dbraw/zinc/30/97/53/373309753.db2.gz CHWPNGHDISVFIS-CABCVRRESA-N 2 1 272.436 3.120 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000300316109 373623898 /nfs/dbraw/zinc/62/38/98/373623898.db2.gz NMXKFXBMNFSYMV-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300417429 373634419 /nfs/dbraw/zinc/63/44/19/373634419.db2.gz UENNZTAFRPPONI-HOTGVXAUSA-N 2 1 278.827 3.365 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300078710 373617819 /nfs/dbraw/zinc/61/78/19/373617819.db2.gz NBGFAEDRGYDVFD-UKMLZYKCSA-N 2 1 250.430 3.051 20 0 CGADMP COCC1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000449383460 373687306 /nfs/dbraw/zinc/68/73/06/373687306.db2.gz HLGYCANGVANBJF-ABHNRTSZSA-N 2 1 296.499 3.292 20 0 CGADMP CC/C=C\C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449451873 373733996 /nfs/dbraw/zinc/73/39/96/373733996.db2.gz DQSICBUBBVPWMU-QDBVJCLKSA-N 2 1 272.436 3.453 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000178704597 373806035 /nfs/dbraw/zinc/80/60/35/373806035.db2.gz XORICYRDSASNNN-XOKHGSTOSA-N 2 1 275.440 3.386 20 0 CGADMP c1ccc(CC[C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178957683 373820711 /nfs/dbraw/zinc/82/07/11/373820711.db2.gz JBKPXZDIRXTASD-SFHVURJKSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1cccc(C(C)(C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c1 ZINC000179598159 373892606 /nfs/dbraw/zinc/89/26/06/373892606.db2.gz VBULLHOYSBWBNU-MRXNPFEDSA-N 2 1 260.425 3.304 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179633932 373895437 /nfs/dbraw/zinc/89/54/37/373895437.db2.gz AADMJBQMHMAHNC-CQSZACIVSA-N 2 1 286.419 3.379 20 0 CGADMP CN(CC[N@H+](C)C1CC1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000302305641 373851130 /nfs/dbraw/zinc/85/11/30/373851130.db2.gz ZLLPXTRHZYKMIC-UHFFFAOYSA-N 2 1 289.810 3.419 20 0 CGADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000302305641 373851136 /nfs/dbraw/zinc/85/11/36/373851136.db2.gz ZLLPXTRHZYKMIC-UHFFFAOYSA-N 2 1 289.810 3.419 20 0 CGADMP Cc1cc(NCCc2[nH+]ccn2Cc2ccccc2)cc[nH+]1 ZINC000302319047 373851643 /nfs/dbraw/zinc/85/16/43/373851643.db2.gz QVFOPCHHEAAZMB-UHFFFAOYSA-N 2 1 292.386 3.289 20 0 CGADMP Cc1cc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000302326192 373853495 /nfs/dbraw/zinc/85/34/95/373853495.db2.gz SOFQIBMQHKKONX-HNNXBMFYSA-N 2 1 281.403 3.249 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783520 373912470 /nfs/dbraw/zinc/91/24/70/373912470.db2.gz PPDNTXACDLUOFI-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783520 373912477 /nfs/dbraw/zinc/91/24/77/373912477.db2.gz PPDNTXACDLUOFI-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP Clc1ccc(CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000450268253 374029435 /nfs/dbraw/zinc/02/94/35/374029435.db2.gz ZJPIADNLPDOZAF-UHFFFAOYSA-N 2 1 292.854 3.443 20 0 CGADMP CC[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1F ZINC000180737327 374040849 /nfs/dbraw/zinc/04/08/49/374040849.db2.gz DUTSVPRKNANJIO-DCGLDWPTSA-N 2 1 276.399 3.492 20 0 CGADMP CC[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000180737327 374040854 /nfs/dbraw/zinc/04/08/54/374040854.db2.gz DUTSVPRKNANJIO-DCGLDWPTSA-N 2 1 276.399 3.492 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(CC)CC ZINC000181480978 374131608 /nfs/dbraw/zinc/13/16/08/374131608.db2.gz VNUGTSBDKWJZCT-BHYGNILZSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]Cc1ccn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309748480 374194672 /nfs/dbraw/zinc/19/46/72/374194672.db2.gz YQISBGBCXQMUHD-QFBILLFUSA-N 2 1 297.446 3.025 20 0 CGADMP FCCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309952025 374204806 /nfs/dbraw/zinc/20/48/06/374204806.db2.gz GRJYGWQLOSMXRD-MSOLQXFVSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309952025 374204810 /nfs/dbraw/zinc/20/48/10/374204810.db2.gz GRJYGWQLOSMXRD-MSOLQXFVSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309952025 374204814 /nfs/dbraw/zinc/20/48/14/374204814.db2.gz GRJYGWQLOSMXRD-MSOLQXFVSA-N 2 1 290.426 3.190 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000182055525 374211428 /nfs/dbraw/zinc/21/14/28/374211428.db2.gz PUHJIUDCXUXTNG-WMZOPIPTSA-N 2 1 274.452 3.187 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000311805554 374257964 /nfs/dbraw/zinc/25/79/64/374257964.db2.gz AJYOTZHRJXRIBP-ZIAGYGMSSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000311805554 374257969 /nfs/dbraw/zinc/25/79/69/374257969.db2.gz AJYOTZHRJXRIBP-ZIAGYGMSSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000311879963 374259644 /nfs/dbraw/zinc/25/96/44/374259644.db2.gz MVUIWAPAKUOOJU-ZIAGYGMSSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000311879963 374259653 /nfs/dbraw/zinc/25/96/53/374259653.db2.gz MVUIWAPAKUOOJU-ZIAGYGMSSA-N 2 1 266.404 3.075 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000312011982 374265835 /nfs/dbraw/zinc/26/58/35/374265835.db2.gz WRLJFUCSVXFQQD-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182496217 374282012 /nfs/dbraw/zinc/28/20/12/374282012.db2.gz VUABJIJGTFIGID-UAGQMJEPSA-N 2 1 275.440 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182496217 374282022 /nfs/dbraw/zinc/28/20/22/374282022.db2.gz VUABJIJGTFIGID-UAGQMJEPSA-N 2 1 275.440 3.482 20 0 CGADMP C[N@H+](CC[NH2+][C@@H](C1CC1)C1CCC1)C1CCCC1 ZINC000453100012 374365340 /nfs/dbraw/zinc/36/53/40/374365340.db2.gz MAHXBSMMELVABR-MRXNPFEDSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H](C1CC1)C1CCC1)C1CCCC1 ZINC000453100012 374365352 /nfs/dbraw/zinc/36/53/52/374365352.db2.gz MAHXBSMMELVABR-MRXNPFEDSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCCCCC2)CC[N@H+]1C ZINC000183329387 374401520 /nfs/dbraw/zinc/40/15/20/374401520.db2.gz KBFRYALWDGKMSP-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000087778295 541944478 /nfs/dbraw/zinc/94/44/78/541944478.db2.gz SOBLIGOLBAHESG-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP FC(F)(F)[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000088432619 541948186 /nfs/dbraw/zinc/94/81/86/541948186.db2.gz JKFHTCNALQSRMG-ZDUSSCGKSA-N 2 1 278.362 3.041 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCc2cccnc21)C[NH+]1CCCCC1 ZINC000091661221 541968301 /nfs/dbraw/zinc/96/83/01/541968301.db2.gz JAQWJHQWHGGNFT-NVXWUHKLSA-N 2 1 287.451 3.171 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCSCC2)C[C@H]1c1ccccc1 ZINC000334220497 206211439 /nfs/dbraw/zinc/21/14/39/206211439.db2.gz RRBPIJVOFRPQRM-SJORKVTESA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCSCC2)C[C@H]1c1ccccc1 ZINC000334220497 206211441 /nfs/dbraw/zinc/21/14/41/206211441.db2.gz RRBPIJVOFRPQRM-SJORKVTESA-N 2 1 290.476 3.307 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459728062 374817629 /nfs/dbraw/zinc/81/76/29/374817629.db2.gz COGXJJOXLKYWRC-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000459780923 374821401 /nfs/dbraw/zinc/82/14/01/374821401.db2.gz LXKVZMHNYQXYBK-YJBOKZPZSA-N 2 1 287.451 3.255 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000334588798 374887693 /nfs/dbraw/zinc/88/76/93/374887693.db2.gz YHTPCYNXVVAQDJ-UHFFFAOYSA-N 2 1 298.352 3.342 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466356646 374964743 /nfs/dbraw/zinc/96/47/43/374964743.db2.gz QIYGDIVNIKGJFE-ABXWRUBCSA-N 2 1 292.389 3.285 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000187226655 374989167 /nfs/dbraw/zinc/98/91/67/374989167.db2.gz KNFLQBLJBTZCFF-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000472593158 375026985 /nfs/dbraw/zinc/02/69/85/375026985.db2.gz ZULQWWQYWAZTOG-PMPSAXMXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000187737732 375083910 /nfs/dbraw/zinc/08/39/10/375083910.db2.gz GNKOUUAJUBKZAS-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP Cc1ccc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc2n1 ZINC000187639993 375062278 /nfs/dbraw/zinc/06/22/78/375062278.db2.gz HSHZQYUGSRJMFA-UHFFFAOYSA-N 2 1 295.430 3.260 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000187961724 375125469 /nfs/dbraw/zinc/12/54/69/375125469.db2.gz OJYOLCDVSAMAGI-HNNXBMFYSA-N 2 1 298.434 3.088 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000187961724 375125477 /nfs/dbraw/zinc/12/54/77/375125477.db2.gz OJYOLCDVSAMAGI-HNNXBMFYSA-N 2 1 298.434 3.088 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)[C@H](C)C1 ZINC000487268155 375215081 /nfs/dbraw/zinc/21/50/81/375215081.db2.gz FZSDFLVZJRHBHG-NCOADZHNSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CN)ccc2n1 ZINC000097862649 541995388 /nfs/dbraw/zinc/99/53/88/541995388.db2.gz FOAYLLNRTYSYBH-ACJLOTCBSA-N 2 1 283.419 3.102 20 0 CGADMP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000495015296 375495562 /nfs/dbraw/zinc/49/55/62/375495562.db2.gz FYFAPZJBPQKHNS-RRFJBIMHSA-N 2 1 286.410 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000335999329 375604940 /nfs/dbraw/zinc/60/49/40/375604940.db2.gz JEWZDAGKCFOVFK-OWWUSRRYSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000335999329 375604948 /nfs/dbraw/zinc/60/49/48/375604948.db2.gz JEWZDAGKCFOVFK-OWWUSRRYSA-N 2 1 294.389 3.283 20 0 CGADMP COc1ccc(C)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000336068467 375661032 /nfs/dbraw/zinc/66/10/32/375661032.db2.gz NZHYYNURJAMVET-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000507357184 375697893 /nfs/dbraw/zinc/69/78/93/375697893.db2.gz IDGSFPQWEZKNNY-SJLPKXTDSA-N 2 1 296.499 3.386 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000507948459 375730313 /nfs/dbraw/zinc/73/03/13/375730313.db2.gz BNCFCUPWYVVXGE-PMPSAXMXSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000507948459 375730317 /nfs/dbraw/zinc/73/03/17/375730317.db2.gz BNCFCUPWYVVXGE-PMPSAXMXSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1c[nH+]ccc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192957617 375808271 /nfs/dbraw/zinc/80/82/71/375808271.db2.gz TWSZPUBYDNDUGI-QGZVFWFLSA-N 2 1 281.403 3.324 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000515666341 375814597 /nfs/dbraw/zinc/81/45/97/375814597.db2.gz ZZTWTNJSIPTZIA-QGZVFWFLSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000515666341 375814601 /nfs/dbraw/zinc/81/46/01/375814601.db2.gz ZZTWTNJSIPTZIA-QGZVFWFLSA-N 2 1 275.440 3.397 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CC[C@H]1C1CCC1)C1CCCCC1 ZINC000510739743 375788040 /nfs/dbraw/zinc/78/80/40/375788040.db2.gz YFTPEVJVALAILH-IRXDYDNUSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@H]1C1CCC1)C1CCCCC1 ZINC000510739743 375788045 /nfs/dbraw/zinc/78/80/45/375788045.db2.gz YFTPEVJVALAILH-IRXDYDNUSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000193139045 375832366 /nfs/dbraw/zinc/83/23/66/375832366.db2.gz JODLCTZEEOISJH-VXGBXAGGSA-N 2 1 272.845 3.364 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)s1 ZINC000534333844 375975981 /nfs/dbraw/zinc/97/59/81/375975981.db2.gz UMMGOOWYRXYVOH-UHFFFAOYSA-N 2 1 266.454 3.227 20 0 CGADMP CCc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)s1 ZINC000534333844 375975987 /nfs/dbraw/zinc/97/59/87/375975987.db2.gz UMMGOOWYRXYVOH-UHFFFAOYSA-N 2 1 266.454 3.227 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000193733601 375916117 /nfs/dbraw/zinc/91/61/17/375916117.db2.gz MFPMYTZGJOGHQZ-CQSZACIVSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000336842764 376005107 /nfs/dbraw/zinc/00/51/07/376005107.db2.gz VIURYLQHQAHAMW-UHFFFAOYSA-N 2 1 289.810 3.381 20 0 CGADMP CC(C)COCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336845021 376007753 /nfs/dbraw/zinc/00/77/53/376007753.db2.gz MEBWZLWUATYPRU-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336845021 376007759 /nfs/dbraw/zinc/00/77/59/376007759.db2.gz MEBWZLWUATYPRU-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336845021 376007763 /nfs/dbraw/zinc/00/77/63/376007763.db2.gz MEBWZLWUATYPRU-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)COCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336845021 376007768 /nfs/dbraw/zinc/00/77/68/376007768.db2.gz MEBWZLWUATYPRU-ZWKOTPCHSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)C[NH+](C)C ZINC000336828797 375988205 /nfs/dbraw/zinc/98/82/05/375988205.db2.gz ANHMTOKEOVCRJB-SNVBAGLBSA-N 2 1 292.320 3.132 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000336830590 375990875 /nfs/dbraw/zinc/99/08/75/375990875.db2.gz MNSZOQONSDAYML-LBPRGKRZSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000336830590 375990883 /nfs/dbraw/zinc/99/08/83/375990883.db2.gz MNSZOQONSDAYML-LBPRGKRZSA-N 2 1 289.345 3.244 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000536652101 376108854 /nfs/dbraw/zinc/10/88/54/376108854.db2.gz GSKYHEFDJIGDNZ-INIZCTEOSA-N 2 1 264.457 3.395 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194934113 376062481 /nfs/dbraw/zinc/06/24/81/376062481.db2.gz NTAVXKNMAGJYKG-HOTGVXAUSA-N 2 1 290.451 3.411 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194934113 376062487 /nfs/dbraw/zinc/06/24/87/376062487.db2.gz NTAVXKNMAGJYKG-HOTGVXAUSA-N 2 1 290.451 3.411 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)ccc2c1 ZINC000215977093 376153800 /nfs/dbraw/zinc/15/38/00/376153800.db2.gz DKIPQNIHRMVCEG-UKRRQHHQSA-N 2 1 284.403 3.018 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000537309590 376162282 /nfs/dbraw/zinc/16/22/82/376162282.db2.gz ODSHACXKMAEDHF-RYRKJORJSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217509743 376173907 /nfs/dbraw/zinc/17/39/07/376173907.db2.gz BKDLLBGUXLKYRP-WFASDCNBSA-N 2 1 266.816 3.462 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618594 376183054 /nfs/dbraw/zinc/18/30/54/376183054.db2.gz FGLBEXVFHJFSHC-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618594 376183061 /nfs/dbraw/zinc/18/30/61/376183061.db2.gz FGLBEXVFHJFSHC-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618594 376183065 /nfs/dbraw/zinc/18/30/65/376183065.db2.gz FGLBEXVFHJFSHC-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000537977563 376214420 /nfs/dbraw/zinc/21/44/20/376214420.db2.gz MLUYBYXVYRBZGL-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000221782844 376221089 /nfs/dbraw/zinc/22/10/89/376221089.db2.gz FRPRKFGCKMXNHG-UHFFFAOYSA-N 2 1 254.805 3.160 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000221782844 376221092 /nfs/dbraw/zinc/22/10/92/376221092.db2.gz FRPRKFGCKMXNHG-UHFFFAOYSA-N 2 1 254.805 3.160 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000221781637 376221974 /nfs/dbraw/zinc/22/19/74/376221974.db2.gz YXPVXEVQZCDTRA-UHFFFAOYSA-N 2 1 286.366 3.108 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000221781637 376221977 /nfs/dbraw/zinc/22/19/77/376221977.db2.gz YXPVXEVQZCDTRA-UHFFFAOYSA-N 2 1 286.366 3.108 20 0 CGADMP COc1ccc([C@H](C)NCCC[N@@H+](C)C(C)C)c(F)c1 ZINC000221910387 376223196 /nfs/dbraw/zinc/22/31/96/376223196.db2.gz UJQUNTTWRTWIJG-ZDUSSCGKSA-N 2 1 282.403 3.215 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000538396804 376239074 /nfs/dbraw/zinc/23/90/74/376239074.db2.gz CDMVTKBNNFXUNZ-BBWFWOEESA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000538396804 376239081 /nfs/dbraw/zinc/23/90/81/376239081.db2.gz CDMVTKBNNFXUNZ-BBWFWOEESA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000223753187 376262077 /nfs/dbraw/zinc/26/20/77/376262077.db2.gz ATWCRRQSGUZFCC-SGMGOOAPSA-N 2 1 266.454 3.060 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000223753187 376262082 /nfs/dbraw/zinc/26/20/82/376262082.db2.gz ATWCRRQSGUZFCC-SGMGOOAPSA-N 2 1 266.454 3.060 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000338189900 376277271 /nfs/dbraw/zinc/27/72/71/376277271.db2.gz PLPTWBYHSQMQEK-HSMVNMDESA-N 2 1 294.389 3.415 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCC(F)(F)C3)CC[C@@H]21 ZINC000338279026 376310734 /nfs/dbraw/zinc/31/07/34/376310734.db2.gz IGVUAAUBCTUBRE-KFWWJZLASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@@H]21 ZINC000338279026 376310743 /nfs/dbraw/zinc/31/07/43/376310743.db2.gz IGVUAAUBCTUBRE-KFWWJZLASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@@H]21 ZINC000338279026 376310747 /nfs/dbraw/zinc/31/07/47/376310747.db2.gz IGVUAAUBCTUBRE-KFWWJZLASA-N 2 1 286.410 3.228 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)cc1 ZINC000539510339 376316167 /nfs/dbraw/zinc/31/61/67/376316167.db2.gz WULZAEPNZGPHKH-IBGZPJMESA-N 2 1 286.463 3.414 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226327491 376352281 /nfs/dbraw/zinc/35/22/81/376352281.db2.gz UAYNGKXGNXWITN-HLLBOEOZSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226327491 376352290 /nfs/dbraw/zinc/35/22/90/376352290.db2.gz UAYNGKXGNXWITN-HLLBOEOZSA-N 2 1 260.425 3.080 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000539059406 376290354 /nfs/dbraw/zinc/29/03/54/376290354.db2.gz CIGARLRNVQRQGW-FUHWJXTLSA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccno2)CC1)CC(C)C ZINC000539096164 376294642 /nfs/dbraw/zinc/29/46/42/376294642.db2.gz ALPZXXZTMHNBQX-UHFFFAOYSA-N 2 1 293.455 3.255 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1coc2ccccc12 ZINC000227760710 376409888 /nfs/dbraw/zinc/40/98/88/376409888.db2.gz IHKLXIULBPYPDR-UHFFFAOYSA-N 2 1 260.381 3.253 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1coc2ccccc12 ZINC000227760710 376409895 /nfs/dbraw/zinc/40/98/95/376409895.db2.gz IHKLXIULBPYPDR-UHFFFAOYSA-N 2 1 260.381 3.253 20 0 CGADMP CCC(CC)(CC)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000541091016 376420344 /nfs/dbraw/zinc/42/03/44/376420344.db2.gz TXWJMSXGTPYNKI-INIZCTEOSA-N 2 1 298.515 3.227 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435411 376359516 /nfs/dbraw/zinc/35/95/16/376359516.db2.gz ZYHZLFPNTUMSDR-UONOGXRCSA-N 2 1 272.392 3.425 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000226434489 376359774 /nfs/dbraw/zinc/35/97/74/376359774.db2.gz ZPBMKNCDDPPZGF-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000226436697 376360568 /nfs/dbraw/zinc/36/05/68/376360568.db2.gz WEIAPWBSQPCNCQ-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cccs2)[C@H](C)C1 ZINC000540161478 376362909 /nfs/dbraw/zinc/36/29/09/376362909.db2.gz WABHKJIUFHSJAN-UKRRQHHQSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1csc(Cl)c1 ZINC000230408928 376514371 /nfs/dbraw/zinc/51/43/71/376514371.db2.gz UWEFXGUTBJLKLR-VHSXEESVSA-N 2 1 260.834 3.392 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231463566 376560123 /nfs/dbraw/zinc/56/01/23/376560123.db2.gz UIGAMRPGLPWNRR-GFCCVEGCSA-N 2 1 270.779 3.053 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000542469125 376545194 /nfs/dbraw/zinc/54/51/94/376545194.db2.gz MKKYPJTURWYBMO-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@@H+](CC1CCC1)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000338939931 376586440 /nfs/dbraw/zinc/58/64/40/376586440.db2.gz HIMDQALGZLZLOR-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC1CCC1)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000338939931 376586447 /nfs/dbraw/zinc/58/64/47/376586447.db2.gz HIMDQALGZLZLOR-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC1CCC1)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000338939931 376586449 /nfs/dbraw/zinc/58/64/49/376586449.db2.gz HIMDQALGZLZLOR-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339070418 376659803 /nfs/dbraw/zinc/65/98/03/376659803.db2.gz NMCLYTFUTQMNPQ-LSDHHAIUSA-N 2 1 294.439 3.264 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339070418 376659819 /nfs/dbraw/zinc/65/98/19/376659819.db2.gz NMCLYTFUTQMNPQ-LSDHHAIUSA-N 2 1 294.439 3.264 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CCO1 ZINC000543744433 376673231 /nfs/dbraw/zinc/67/32/31/376673231.db2.gz ICUIEXXYFAHUCT-ZWKOTPCHSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000135710627 542089587 /nfs/dbraw/zinc/08/95/87/542089587.db2.gz YTWRXLGJTMJOFT-OAHLLOKOSA-N 2 1 262.441 3.284 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000544895524 376768565 /nfs/dbraw/zinc/76/85/65/376768565.db2.gz YOFKXYRSSMNGSP-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000544895524 376768573 /nfs/dbraw/zinc/76/85/73/376768573.db2.gz YOFKXYRSSMNGSP-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000544895524 376768580 /nfs/dbraw/zinc/76/85/80/376768580.db2.gz YOFKXYRSSMNGSP-JKSUJKDBSA-N 2 1 254.462 3.476 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@@H]1[NH3+] ZINC000150303043 542098882 /nfs/dbraw/zinc/09/88/82/542098882.db2.gz NFYUXBHJXCMZCA-OCCSQVGLSA-N 2 1 268.351 3.183 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000151120540 542100571 /nfs/dbraw/zinc/10/05/71/542100571.db2.gz AUCGYDBGAHYXNP-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000545518357 376828143 /nfs/dbraw/zinc/82/81/43/376828143.db2.gz IVJSQIBKARHDQC-HZPDHXFCSA-N 2 1 260.425 3.438 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000545322396 376811797 /nfs/dbraw/zinc/81/17/97/376811797.db2.gz BOJHRKCNLSZRRO-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000545322396 376811801 /nfs/dbraw/zinc/81/18/01/376811801.db2.gz BOJHRKCNLSZRRO-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000245425020 376813353 /nfs/dbraw/zinc/81/33/53/376813353.db2.gz KJZFYMPRYZPMMZ-RDJZCZTQSA-N 2 1 260.425 3.157 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000556879723 376898197 /nfs/dbraw/zinc/89/81/97/376898197.db2.gz SMIGVZHPYPBZLK-CBBWQLFWSA-N 2 1 286.410 3.274 20 0 CGADMP FC1(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558493247 377014493 /nfs/dbraw/zinc/01/44/93/377014493.db2.gz LEWOWWUNCUMNCD-QGZVFWFLSA-N 2 1 290.426 3.380 20 0 CGADMP FC1(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000558493247 377014501 /nfs/dbraw/zinc/01/45/01/377014501.db2.gz LEWOWWUNCUMNCD-QGZVFWFLSA-N 2 1 290.426 3.380 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000558611247 377025084 /nfs/dbraw/zinc/02/50/84/377025084.db2.gz YMBSKYCCEVZDOL-NUJGCVRESA-N 2 1 287.451 3.039 20 0 CGADMP C[N@H+](CCOc1cccc(Cl)c1)CC[C@H]1CCC[NH+]1C ZINC000340370248 377025635 /nfs/dbraw/zinc/02/56/35/377025635.db2.gz CKBOAZHKGOWTLL-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[N@@H+](CCOc1cccc(Cl)c1)CC[C@H]1CCC[NH+]1C ZINC000340370248 377025638 /nfs/dbraw/zinc/02/56/38/377025638.db2.gz CKBOAZHKGOWTLL-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1cccc(Cl)c1)CC[C@H]1CCC[N@@H+]1C ZINC000340370248 377025643 /nfs/dbraw/zinc/02/56/43/377025643.db2.gz CKBOAZHKGOWTLL-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](CCOc1cccc(Cl)c1)CC[C@H]1CCC[N@H+]1C ZINC000340370248 377025647 /nfs/dbraw/zinc/02/56/47/377025647.db2.gz CKBOAZHKGOWTLL-OAHLLOKOSA-N 2 1 296.842 3.135 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479549 377039069 /nfs/dbraw/zinc/03/90/69/377039069.db2.gz OUKXBYZYVIQATM-XJKSGUPXSA-N 2 1 296.817 3.395 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000558419102 377006632 /nfs/dbraw/zinc/00/66/32/377006632.db2.gz HRXVRMYDYRVEKK-QGZUEGPWSA-N 2 1 276.399 3.159 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC000246898133 377113773 /nfs/dbraw/zinc/11/37/73/377113773.db2.gz JMKUJIKXWWBAOV-RDJZCZTQSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000246898133 377113778 /nfs/dbraw/zinc/11/37/78/377113778.db2.gz JMKUJIKXWWBAOV-RDJZCZTQSA-N 2 1 258.409 3.090 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC000246898133 377113788 /nfs/dbraw/zinc/11/37/88/377113788.db2.gz JMKUJIKXWWBAOV-RDJZCZTQSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000560058372 377116629 /nfs/dbraw/zinc/11/66/29/377116629.db2.gz SRTYSDJBCRPJSI-PBHICJAKSA-N 2 1 281.403 3.060 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1Cl ZINC000246561692 377053654 /nfs/dbraw/zinc/05/36/54/377053654.db2.gz XEGXUMWIIHOYCX-YWPYICTPSA-N 2 1 296.842 3.167 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000246561692 377053663 /nfs/dbraw/zinc/05/36/63/377053663.db2.gz XEGXUMWIIHOYCX-YWPYICTPSA-N 2 1 296.842 3.167 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000559268538 377077894 /nfs/dbraw/zinc/07/78/94/377077894.db2.gz MPDLBOCGQIKERT-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000559268538 377077903 /nfs/dbraw/zinc/07/79/03/377077903.db2.gz MPDLBOCGQIKERT-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(OC)cc2)C1 ZINC000246848882 377101789 /nfs/dbraw/zinc/10/17/89/377101789.db2.gz CNOHVCDNHUZSTR-MAUKXSAKSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(OC)cc2)C1 ZINC000246848858 377102917 /nfs/dbraw/zinc/10/29/17/377102917.db2.gz CNOHVCDNHUZSTR-CRAIPNDOSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000246987367 377135039 /nfs/dbraw/zinc/13/50/39/377135039.db2.gz JZUFSIXKVBFNIX-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000246987367 377135043 /nfs/dbraw/zinc/13/50/43/377135043.db2.gz JZUFSIXKVBFNIX-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1ccccc1CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246998391 377136005 /nfs/dbraw/zinc/13/60/05/377136005.db2.gz QZPYHDRGTFPUQD-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246998391 377136009 /nfs/dbraw/zinc/13/60/09/377136009.db2.gz QZPYHDRGTFPUQD-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246998391 377136016 /nfs/dbraw/zinc/13/60/16/377136016.db2.gz QZPYHDRGTFPUQD-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246998391 377136022 /nfs/dbraw/zinc/13/60/22/377136022.db2.gz QZPYHDRGTFPUQD-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000247004607 377136183 /nfs/dbraw/zinc/13/61/83/377136183.db2.gz KCGSHYNYFGIKEL-QKPAOTATSA-N 2 1 284.513 3.371 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000247096510 377159965 /nfs/dbraw/zinc/15/99/65/377159965.db2.gz PSTXRBAAAAZEDI-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2c(C)cccc2C)[C@@H](C)C1 ZINC000247098363 377160066 /nfs/dbraw/zinc/16/00/66/377160066.db2.gz SCXJAPWCJANXDD-IRXDYDNUSA-N 2 1 290.451 3.002 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000560537854 377166100 /nfs/dbraw/zinc/16/61/00/377166100.db2.gz UJXULMPFBGBRLN-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP Oc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000560906804 377198568 /nfs/dbraw/zinc/19/85/68/377198568.db2.gz HZFZOTAXCZBTOY-UHFFFAOYSA-N 2 1 288.435 3.279 20 0 CGADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccoc1 ZINC000161547462 542158950 /nfs/dbraw/zinc/15/89/50/542158950.db2.gz XEGLPGBETRMUEL-UHFFFAOYSA-N 2 1 261.369 3.087 20 0 CGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccoc1 ZINC000161547462 542158952 /nfs/dbraw/zinc/15/89/52/542158952.db2.gz XEGLPGBETRMUEL-UHFFFAOYSA-N 2 1 261.369 3.087 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000562040157 377268194 /nfs/dbraw/zinc/26/81/94/377268194.db2.gz MPLPYRHQJDREQJ-QRVBRYPASA-N 2 1 286.463 3.329 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(C)c2)[C@@H](C)C1 ZINC000247935521 377245539 /nfs/dbraw/zinc/24/55/39/377245539.db2.gz CKUXTHJMXFFYMQ-BQFCYCMXSA-N 2 1 274.452 3.418 20 0 CGADMP C[C@H](c1c(F)cccc1F)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247936602 377247407 /nfs/dbraw/zinc/24/74/07/377247407.db2.gz COIMPLCDQYZPQV-WWGRRREGSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000561981687 377259599 /nfs/dbraw/zinc/25/95/99/377259599.db2.gz CXQMZAUWKMFVQA-GOEBONIOSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CCC(C)(C)CC1 ZINC000561981687 377259605 /nfs/dbraw/zinc/25/96/05/377259605.db2.gz CXQMZAUWKMFVQA-GOEBONIOSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CCC(C)(C)CC1 ZINC000561981687 377259610 /nfs/dbraw/zinc/25/96/10/377259610.db2.gz CXQMZAUWKMFVQA-GOEBONIOSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CCC(C)(C)CC1 ZINC000561981687 377259616 /nfs/dbraw/zinc/25/96/16/377259616.db2.gz CXQMZAUWKMFVQA-GOEBONIOSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000561981687 377259620 /nfs/dbraw/zinc/25/96/20/377259620.db2.gz CXQMZAUWKMFVQA-GOEBONIOSA-N 2 1 266.473 3.475 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000248064453 377263886 /nfs/dbraw/zinc/26/38/86/377263886.db2.gz MBCWPKOMHSPMTF-WBMJQRKESA-N 2 1 278.827 3.259 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000562020518 377265808 /nfs/dbraw/zinc/26/58/08/377265808.db2.gz XPGHDVOQWAHGGV-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562019148 377266274 /nfs/dbraw/zinc/26/62/74/377266274.db2.gz HCUISOJMBUMISQ-NPJQDHAYSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562019148 377266281 /nfs/dbraw/zinc/26/62/81/377266281.db2.gz HCUISOJMBUMISQ-NPJQDHAYSA-N 2 1 252.446 3.131 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000161613331 542159520 /nfs/dbraw/zinc/15/95/20/542159520.db2.gz PSMIEKVTCBKMPE-BHYGNILZSA-N 2 1 288.435 3.363 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248186818 377275854 /nfs/dbraw/zinc/27/58/54/377275854.db2.gz XNKAWFSMXIPZJR-QILLFSRXSA-N 2 1 288.435 3.172 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248186818 377275863 /nfs/dbraw/zinc/27/58/63/377275863.db2.gz XNKAWFSMXIPZJR-QILLFSRXSA-N 2 1 288.435 3.172 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248176139 377275978 /nfs/dbraw/zinc/27/59/78/377275978.db2.gz VPZVTGCOAOBLQQ-JQHSSLGASA-N 2 1 272.436 3.472 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248176139 377275988 /nfs/dbraw/zinc/27/59/88/377275988.db2.gz VPZVTGCOAOBLQQ-JQHSSLGASA-N 2 1 272.436 3.472 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCc2ccccc21 ZINC000562187006 377282783 /nfs/dbraw/zinc/28/27/83/377282783.db2.gz QRSGFZMCTMBFTH-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCc2ccccc21 ZINC000562187006 377282788 /nfs/dbraw/zinc/28/27/88/377282788.db2.gz QRSGFZMCTMBFTH-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCc2ccccc21 ZINC000562187006 377282793 /nfs/dbraw/zinc/28/27/93/377282793.db2.gz QRSGFZMCTMBFTH-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCc2ccccc21 ZINC000562187006 377282801 /nfs/dbraw/zinc/28/28/01/377282801.db2.gz QRSGFZMCTMBFTH-CRAIPNDOSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000562958913 377379350 /nfs/dbraw/zinc/37/93/50/377379350.db2.gz XFDFQLVADMLKJE-HLLBOEOZSA-N 2 1 292.471 3.425 20 0 CGADMP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000563135043 377406905 /nfs/dbraw/zinc/40/69/05/377406905.db2.gz CLMMORMQVIRSEO-UHFFFAOYSA-N 2 1 289.448 3.189 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)oc2cc1C ZINC000563134958 377407023 /nfs/dbraw/zinc/40/70/23/377407023.db2.gz AWVUZGIQXVEGNQ-GDBMZVCRSA-N 2 1 284.403 3.091 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)oc2cc1C ZINC000563134958 377407031 /nfs/dbraw/zinc/40/70/31/377407031.db2.gz AWVUZGIQXVEGNQ-GDBMZVCRSA-N 2 1 284.403 3.091 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC12CC2 ZINC000563444008 377467768 /nfs/dbraw/zinc/46/77/68/377467768.db2.gz XVIWVWMTWSJRGK-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249146853 377470516 /nfs/dbraw/zinc/47/05/16/377470516.db2.gz WZGPKHOLAGDISO-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249174357 377474179 /nfs/dbraw/zinc/47/41/79/377474179.db2.gz DIVUBBBUVYWHOA-NZSAHSFTSA-N 2 1 286.463 3.428 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cn(C)c2c1 ZINC000249207486 377479016 /nfs/dbraw/zinc/47/90/16/377479016.db2.gz WTDLLDMAWDYLST-RDJZCZTQSA-N 2 1 299.462 3.102 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000275901123 249066678 /nfs/dbraw/zinc/06/66/78/249066678.db2.gz SEWSFZJXGRZDOB-INIZCTEOSA-N 2 1 262.372 3.128 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422905840 249127683 /nfs/dbraw/zinc/12/76/83/249127683.db2.gz SXGMDDURWKEELK-BDAKNGLRSA-N 2 1 283.828 3.165 20 0 CGADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C2CC2)c1 ZINC000250075003 377548151 /nfs/dbraw/zinc/54/81/51/377548151.db2.gz JKYZYYYWNMFUQT-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000469988605 249165002 /nfs/dbraw/zinc/16/50/02/249165002.db2.gz CXELRTBYRQXTJY-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251154452 377574264 /nfs/dbraw/zinc/57/42/64/377574264.db2.gz IXYBPMTUZNBUKL-IKJBURDNSA-N 2 1 284.447 3.457 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000251101247 377574440 /nfs/dbraw/zinc/57/44/40/377574440.db2.gz RHPNUFKTWOKEPR-ULQDDVLXSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000516759998 249243343 /nfs/dbraw/zinc/24/33/43/249243343.db2.gz ISLSGFPHEPGGTF-ACJLOTCBSA-N 2 1 281.403 3.137 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000515573844 249216546 /nfs/dbraw/zinc/21/65/46/249216546.db2.gz MGMFIQSELXDWLJ-LJQANCHMSA-N 2 1 286.463 3.459 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000515573844 249216548 /nfs/dbraw/zinc/21/65/48/249216548.db2.gz MGMFIQSELXDWLJ-LJQANCHMSA-N 2 1 286.463 3.459 20 0 CGADMP Clc1cc(Cl)cc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000517171878 249258743 /nfs/dbraw/zinc/25/87/43/249258743.db2.gz ARZLQLZCSUOJSG-UHFFFAOYSA-N 2 1 273.207 3.179 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251931411 377605769 /nfs/dbraw/zinc/60/57/69/377605769.db2.gz VIDOGPMONQRURJ-QXSJWSMHSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000180700114 542213518 /nfs/dbraw/zinc/21/35/18/542213518.db2.gz VEEHNBDGPNHRDZ-CYBMUJFWSA-N 2 1 290.455 3.166 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674926 377650475 /nfs/dbraw/zinc/65/04/75/377650475.db2.gz VTBWZULORUNNIZ-GJZGRUSLSA-N 2 1 264.800 3.056 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674926 377650481 /nfs/dbraw/zinc/65/04/81/377650481.db2.gz VTBWZULORUNNIZ-GJZGRUSLSA-N 2 1 264.800 3.056 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000574333027 377650404 /nfs/dbraw/zinc/65/04/04/377650404.db2.gz ZKOXFTFWBUAPRI-KRWDZBQOSA-N 2 1 260.425 3.083 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCCC1(C)C)C1CC1 ZINC000574401909 377659581 /nfs/dbraw/zinc/65/95/81/377659581.db2.gz BNRPLBGNUBSFSJ-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252870853 377666873 /nfs/dbraw/zinc/66/68/73/377666873.db2.gz SPBICJDPSXDMIG-RRQGHBQHSA-N 2 1 284.403 3.300 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H](C)c2ccccc2)C1 ZINC000253354741 377684504 /nfs/dbraw/zinc/68/45/04/377684504.db2.gz IBHXBZCTPRWSIJ-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000253354741 377684510 /nfs/dbraw/zinc/68/45/10/377684510.db2.gz IBHXBZCTPRWSIJ-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000253354741 377684521 /nfs/dbraw/zinc/68/45/21/377684521.db2.gz IBHXBZCTPRWSIJ-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CC(C)[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000564569778 322034409 /nfs/dbraw/zinc/03/44/09/322034409.db2.gz CLWLGGLEGPVZQK-ZOBUZTSGSA-N 2 1 260.425 3.095 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000574812437 377712585 /nfs/dbraw/zinc/71/25/85/377712585.db2.gz DIALULPUDPJBOD-WMZOPIPTSA-N 2 1 272.436 3.256 20 0 CGADMP CC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000575185441 377759991 /nfs/dbraw/zinc/75/99/91/377759991.db2.gz FPIZQEYBPHQDOC-CQSZACIVSA-N 2 1 278.465 3.350 20 0 CGADMP CC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000575185441 377759996 /nfs/dbraw/zinc/75/99/96/377759996.db2.gz FPIZQEYBPHQDOC-CQSZACIVSA-N 2 1 278.465 3.350 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261546345 377815556 /nfs/dbraw/zinc/81/55/56/377815556.db2.gz KWOCDNTZPKRSRK-CABCVRRESA-N 2 1 284.403 3.091 20 0 CGADMP Cc1nc2ccc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cc2s1 ZINC000261640337 377830570 /nfs/dbraw/zinc/83/05/70/377830570.db2.gz ADYYKJKCQNYXPC-CQSZACIVSA-N 2 1 289.448 3.179 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261652335 377833993 /nfs/dbraw/zinc/83/39/93/377833993.db2.gz BDOKPZWENXNHIY-IAQYHMDHSA-N 2 1 266.816 3.072 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261652335 377834000 /nfs/dbraw/zinc/83/40/00/377834000.db2.gz BDOKPZWENXNHIY-IAQYHMDHSA-N 2 1 266.816 3.072 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1cccc(Cl)c1 ZINC000261650277 377835028 /nfs/dbraw/zinc/83/50/28/377835028.db2.gz AYAHGHMIARIMQV-DOMZBBRYSA-N 2 1 266.816 3.114 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261957201 377873140 /nfs/dbraw/zinc/87/31/40/377873140.db2.gz GVJSFLRVNAVRSE-MRXNPFEDSA-N 2 1 264.388 3.037 20 0 CGADMP N[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000261981668 377875669 /nfs/dbraw/zinc/87/56/69/377875669.db2.gz OFPQOWWTVYKGEG-IPMKNSEASA-N 2 1 296.389 3.240 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000262097157 377886860 /nfs/dbraw/zinc/88/68/60/377886860.db2.gz VICGYWKGQYJYJQ-MSOLQXFVSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261799152 377854597 /nfs/dbraw/zinc/85/45/97/377854597.db2.gz QSEBGGWBZKGWPL-RBUKOAKNSA-N 2 1 280.415 3.230 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261799152 377854604 /nfs/dbraw/zinc/85/46/04/377854604.db2.gz QSEBGGWBZKGWPL-RBUKOAKNSA-N 2 1 280.415 3.230 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000261794817 377854797 /nfs/dbraw/zinc/85/47/97/377854797.db2.gz QKAFEBAKYFHXKE-MSOLQXFVSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000343421987 377975864 /nfs/dbraw/zinc/97/58/64/377975864.db2.gz OVHQHRHOSVOZJM-BZUAXINKSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000343421987 377975868 /nfs/dbraw/zinc/97/58/68/377975868.db2.gz OVHQHRHOSVOZJM-BZUAXINKSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c[nH]c2c1 ZINC000268817237 378121488 /nfs/dbraw/zinc/12/14/88/378121488.db2.gz NYXCCASNBIMNAD-HOCLYGCPSA-N 2 1 285.435 3.091 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(Cl)c1 ZINC000343915330 378132696 /nfs/dbraw/zinc/13/26/96/378132696.db2.gz NZWOJYSYNXKXEZ-INIZCTEOSA-N 2 1 298.858 3.349 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000344011550 378151957 /nfs/dbraw/zinc/15/19/57/378151957.db2.gz DSVMXJQVZRRLNH-CVEARBPZSA-N 2 1 294.487 3.105 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000344011550 378151966 /nfs/dbraw/zinc/15/19/66/378151966.db2.gz DSVMXJQVZRRLNH-CVEARBPZSA-N 2 1 294.487 3.105 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(OC)cc1 ZINC000268776102 378107218 /nfs/dbraw/zinc/10/72/18/378107218.db2.gz BHJAXPSAFAMBMS-QGZVFWFLSA-N 2 1 287.407 3.331 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1F ZINC000268783991 378109557 /nfs/dbraw/zinc/10/95/57/378109557.db2.gz DANGECIFESYPBP-OAHLLOKOSA-N 2 1 279.334 3.211 20 0 CGADMP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000269131686 378190423 /nfs/dbraw/zinc/19/04/23/378190423.db2.gz LLKOWOQWIVQCMK-UHFFFAOYSA-N 2 1 299.418 3.255 20 0 CGADMP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000269131686 378190428 /nfs/dbraw/zinc/19/04/28/378190428.db2.gz LLKOWOQWIVQCMK-UHFFFAOYSA-N 2 1 299.418 3.255 20 0 CGADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3ccccc32)C[C@H]1C ZINC000345159241 378208515 /nfs/dbraw/zinc/20/85/15/378208515.db2.gz GMATUZUTTGAFJQ-KGLIPLIRSA-N 2 1 269.392 3.154 20 0 CGADMP COC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000345182372 378216168 /nfs/dbraw/zinc/21/61/68/378216168.db2.gz VWYZGKVXIXDCEV-CVEARBPZSA-N 2 1 290.451 3.186 20 0 CGADMP Cc1nc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cs1 ZINC000269470648 378225997 /nfs/dbraw/zinc/22/59/97/378225997.db2.gz ZZZOIISXQFJAOI-LBPRGKRZSA-N 2 1 289.448 3.364 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000582432580 378313587 /nfs/dbraw/zinc/31/35/87/378313587.db2.gz DUBFDDQVTHWCLQ-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000583257493 378315577 /nfs/dbraw/zinc/31/55/77/378315577.db2.gz QFESTCXMWCCLFD-RTBURBONSA-N 2 1 295.430 3.498 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000583508079 378327666 /nfs/dbraw/zinc/32/76/66/378327666.db2.gz ZNXVFTOUSMCHGG-LSDHHAIUSA-N 2 1 278.465 3.207 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000583663446 378339057 /nfs/dbraw/zinc/33/90/57/378339057.db2.gz FFMNYRAPELIDQS-CABCVRRESA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000583663446 378339060 /nfs/dbraw/zinc/33/90/60/378339060.db2.gz FFMNYRAPELIDQS-CABCVRRESA-N 2 1 280.431 3.465 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH2+]C(C)C ZINC000583928642 378359950 /nfs/dbraw/zinc/35/99/50/378359950.db2.gz NDEHLYHMIUGDPL-INIZCTEOSA-N 2 1 276.424 3.186 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000271175550 378470966 /nfs/dbraw/zinc/47/09/66/378470966.db2.gz FTZFMBDZFKFALK-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3cc[nH]c32)CC[N@H+]1C ZINC000271175550 378470969 /nfs/dbraw/zinc/47/09/69/378470969.db2.gz FTZFMBDZFKFALK-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3cc[nH]c32)CC[NH+]1C ZINC000271175550 378470973 /nfs/dbraw/zinc/47/09/73/378470973.db2.gz FTZFMBDZFKFALK-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3cc[nH]c32)CC[NH+]1C ZINC000271175550 378470975 /nfs/dbraw/zinc/47/09/75/378470975.db2.gz FTZFMBDZFKFALK-CJNGLKHVSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2ccccc2n1 ZINC000271810888 378506410 /nfs/dbraw/zinc/50/64/10/378506410.db2.gz ARAPJONZEXCLBJ-AWEZNQCLSA-N 2 1 281.403 3.147 20 0 CGADMP C[C@@H]([NH2+]Cc1cc[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134338 378569929 /nfs/dbraw/zinc/56/99/29/378569929.db2.gz AAXHNMYZLOSNDT-QAPCUYQASA-N 2 1 283.419 3.015 20 0 CGADMP C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272179397 378578999 /nfs/dbraw/zinc/57/89/99/378578999.db2.gz KANZQIUMKMQFOU-CRAIPNDOSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272179397 378579000 /nfs/dbraw/zinc/57/90/00/378579000.db2.gz KANZQIUMKMQFOU-CRAIPNDOSA-N 2 1 284.403 3.280 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346574055 378630192 /nfs/dbraw/zinc/63/01/92/378630192.db2.gz ZFUUVXJOGMHWFQ-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+](Cc1cccc2ncccc12)C[C@H]1CCC[NH+](C)C1 ZINC000637928665 378635414 /nfs/dbraw/zinc/63/54/14/378635414.db2.gz CPTYOGDPTXLOAA-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2ncccc12)C[C@H]1CCC[N@H+](C)C1 ZINC000637928665 378635417 /nfs/dbraw/zinc/63/54/17/378635417.db2.gz CPTYOGDPTXLOAA-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2ncccc12)C[C@H]1CCC[N@@H+](C)C1 ZINC000637928665 378635423 /nfs/dbraw/zinc/63/54/23/378635423.db2.gz CPTYOGDPTXLOAA-HNNXBMFYSA-N 2 1 283.419 3.008 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000346667850 378668946 /nfs/dbraw/zinc/66/89/46/378668946.db2.gz ZEIRGFXZKTZPIC-GXTWGEPZSA-N 2 1 298.377 3.074 20 0 CGADMP CS[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272706180 378691731 /nfs/dbraw/zinc/69/17/31/378691731.db2.gz BSBXAAAFMFMVQH-BFYDXBDKSA-N 2 1 292.492 3.238 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1CCC[NH2+]C1)CCC2 ZINC000347012242 378703137 /nfs/dbraw/zinc/70/31/37/378703137.db2.gz VSBZOOGTENNJJH-JSGCOSHPSA-N 2 1 293.480 3.014 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638123150 378709910 /nfs/dbraw/zinc/70/99/10/378709910.db2.gz OPGBPLSWOPYUFI-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CC(C)N(CC[C@H]1CCC[N@H+]1C)CC[NH+]1CCCCCC1 ZINC000347378947 378717963 /nfs/dbraw/zinc/71/79/63/378717963.db2.gz RIHVYJSGTCTGHP-GOSISDBHSA-N 2 1 295.515 3.057 20 0 CGADMP CSC1(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000347840882 378726955 /nfs/dbraw/zinc/72/69/55/378726955.db2.gz FIXQTDLGOTYVIU-INIZCTEOSA-N 2 1 296.524 3.326 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638318915 378769210 /nfs/dbraw/zinc/76/92/10/378769210.db2.gz XQISOPZYYMNROE-RDJZCZTQSA-N 2 1 256.393 3.107 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638318915 378769214 /nfs/dbraw/zinc/76/92/14/378769214.db2.gz XQISOPZYYMNROE-RDJZCZTQSA-N 2 1 256.393 3.107 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000348054197 378769766 /nfs/dbraw/zinc/76/97/66/378769766.db2.gz WOEVSPPBZBJLIS-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000348054197 378769770 /nfs/dbraw/zinc/76/97/70/378769770.db2.gz WOEVSPPBZBJLIS-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000638371311 378782067 /nfs/dbraw/zinc/78/20/67/378782067.db2.gz QOLGWUZMUINCNF-XUWVNRHRSA-N 2 1 284.513 3.228 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348099281 378792265 /nfs/dbraw/zinc/79/22/65/378792265.db2.gz BAZULKAZVAHHQE-TUVASFSCSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000278483881 194004870 /nfs/dbraw/zinc/00/48/70/194004870.db2.gz KOVHOUMZOWOVTJ-FUHWJXTLSA-N 2 1 290.451 3.228 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000348126863 378803976 /nfs/dbraw/zinc/80/39/76/378803976.db2.gz QCULSWJFLOMPFM-NVXWUHKLSA-N 2 1 294.483 3.188 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)oc4ccccc43)C[C@H]12 ZINC000346830914 218028521 /nfs/dbraw/zinc/02/85/21/218028521.db2.gz PPTJOZNTFSDQRV-VHRBIJSZSA-N 2 1 290.794 3.255 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348238777 378857428 /nfs/dbraw/zinc/85/74/28/378857428.db2.gz FUOGSWARXTZDBX-ZTFGCOKTSA-N 2 1 283.419 3.221 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCC(C)(C)CC1 ZINC000348258030 378868989 /nfs/dbraw/zinc/86/89/89/378868989.db2.gz UZSFDJSPOUCUJW-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCC(C)(C)CC1 ZINC000348258030 378868996 /nfs/dbraw/zinc/86/89/96/378868996.db2.gz UZSFDJSPOUCUJW-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCC(C)(C)CC1 ZINC000348258030 378869002 /nfs/dbraw/zinc/86/90/02/378869002.db2.gz UZSFDJSPOUCUJW-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000638674293 378869494 /nfs/dbraw/zinc/86/94/94/378869494.db2.gz ICEPNISKBWUEET-KRWDZBQOSA-N 2 1 297.446 3.366 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)CC[N@@H+]1C ZINC000638706635 378882955 /nfs/dbraw/zinc/88/29/55/378882955.db2.gz HJZFUOQHDNIEBO-DYVFJYSZSA-N 2 1 262.441 3.482 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)CC[N@H+]1C ZINC000638706635 378882958 /nfs/dbraw/zinc/88/29/58/378882958.db2.gz HJZFUOQHDNIEBO-DYVFJYSZSA-N 2 1 262.441 3.482 20 0 CGADMP CSC1(C[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000348284842 378885439 /nfs/dbraw/zinc/88/54/39/378885439.db2.gz LCCGNEGISHUXPL-OAHLLOKOSA-N 2 1 282.497 3.269 20 0 CGADMP CSC1(C[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000348284842 378885448 /nfs/dbraw/zinc/88/54/48/378885448.db2.gz LCCGNEGISHUXPL-OAHLLOKOSA-N 2 1 282.497 3.269 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000274826590 378903329 /nfs/dbraw/zinc/90/33/29/378903329.db2.gz CHOVEXNGHFFNPY-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000274826590 378903333 /nfs/dbraw/zinc/90/33/33/378903333.db2.gz CHOVEXNGHFFNPY-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000346986963 218079469 /nfs/dbraw/zinc/07/94/69/218079469.db2.gz QDMJDDRIVPKHOV-INIZCTEOSA-N 2 1 278.415 3.080 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccn1 ZINC000346983237 218079908 /nfs/dbraw/zinc/07/99/08/218079908.db2.gz FVVHHYLHKKBWKM-OAHLLOKOSA-N 2 1 263.429 3.243 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccn1 ZINC000346983237 218079910 /nfs/dbraw/zinc/07/99/10/218079910.db2.gz FVVHHYLHKKBWKM-OAHLLOKOSA-N 2 1 263.429 3.243 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(C)c1OC(F)F ZINC000347051866 218106577 /nfs/dbraw/zinc/10/65/77/218106577.db2.gz RQCIGXDXORHSKJ-JSGCOSHPSA-N 2 1 298.377 3.074 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000275666381 378959253 /nfs/dbraw/zinc/95/92/53/378959253.db2.gz YNEHQDLRKRCKJC-NJAFHUGGSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638968498 378960888 /nfs/dbraw/zinc/96/08/88/378960888.db2.gz AXEXMBOZDQBPLX-ZMSDIMECSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638971932 378962827 /nfs/dbraw/zinc/96/28/27/378962827.db2.gz RTTHSUFWBFLLRY-KBXIAJHMSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276611302 378965578 /nfs/dbraw/zinc/96/55/78/378965578.db2.gz GQRRISHARZJLRN-CQSZACIVSA-N 2 1 287.407 3.101 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347081282 218115683 /nfs/dbraw/zinc/11/56/83/218115683.db2.gz XSOSWIRWFPPGER-CQSZACIVSA-N 2 1 299.393 3.058 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000347081282 218115687 /nfs/dbraw/zinc/11/56/87/218115687.db2.gz XSOSWIRWFPPGER-CQSZACIVSA-N 2 1 299.393 3.058 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347084391 218117795 /nfs/dbraw/zinc/11/77/95/218117795.db2.gz AGUFVBVDKDBLIQ-SJPCQFCGSA-N 2 1 288.435 3.189 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347084391 218117798 /nfs/dbraw/zinc/11/77/98/218117798.db2.gz AGUFVBVDKDBLIQ-SJPCQFCGSA-N 2 1 288.435 3.189 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000347096508 218118527 /nfs/dbraw/zinc/11/85/27/218118527.db2.gz IAERDOULNIZUIK-ZDUSSCGKSA-N 2 1 272.392 3.037 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000347098916 218121624 /nfs/dbraw/zinc/12/16/24/218121624.db2.gz IXJAZVOLRNLDQA-CYBMUJFWSA-N 2 1 272.417 3.196 20 0 CGADMP COCCCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278598059 194061534 /nfs/dbraw/zinc/06/15/34/194061534.db2.gz LPWKNARLTNSZKG-UHFFFAOYSA-N 2 1 292.423 3.050 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000639169583 379089231 /nfs/dbraw/zinc/08/92/31/379089231.db2.gz GALSOBNURDNFEI-SJORKVTESA-N 2 1 286.463 3.111 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347399905 218220674 /nfs/dbraw/zinc/22/06/74/218220674.db2.gz LTGUBYWOZDJXIP-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCOCc2ccccc2)CC1 ZINC000347444380 218237209 /nfs/dbraw/zinc/23/72/09/218237209.db2.gz SNNJNEPLXDOPNI-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCOCc2ccccc2)CC1 ZINC000347444380 218237212 /nfs/dbraw/zinc/23/72/12/218237212.db2.gz SNNJNEPLXDOPNI-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000277241471 379107953 /nfs/dbraw/zinc/10/79/53/379107953.db2.gz PLLREYXAZDXFES-CQSZACIVSA-N 2 1 298.377 3.204 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000277241471 379107958 /nfs/dbraw/zinc/10/79/58/379107958.db2.gz PLLREYXAZDXFES-CQSZACIVSA-N 2 1 298.377 3.204 20 0 CGADMP c1ccc2c(c1)C=C(CNC[C@@H]1CCCC[N@@H+]1C1CC1)CO2 ZINC000277519844 379180790 /nfs/dbraw/zinc/18/07/90/379180790.db2.gz SMEGCEFDRYVWDI-SFHVURJKSA-N 2 1 298.430 3.069 20 0 CGADMP c1ccc2c(c1)C=C(CNC[C@@H]1CCCC[N@H+]1C1CC1)CO2 ZINC000277519844 379180800 /nfs/dbraw/zinc/18/08/00/379180800.db2.gz SMEGCEFDRYVWDI-SFHVURJKSA-N 2 1 298.430 3.069 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000349342938 379238073 /nfs/dbraw/zinc/23/80/73/379238073.db2.gz FKPLPKDQHUFBNE-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2ncccc2c1 ZINC000349342938 379238076 /nfs/dbraw/zinc/23/80/76/379238076.db2.gz FKPLPKDQHUFBNE-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000349379217 379259641 /nfs/dbraw/zinc/25/96/41/379259641.db2.gz BMNWTODYOSODLG-MSOLQXFVSA-N 2 1 283.419 3.317 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000349379217 379259647 /nfs/dbraw/zinc/25/96/47/379259647.db2.gz BMNWTODYOSODLG-MSOLQXFVSA-N 2 1 283.419 3.317 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C)c1 ZINC000349413365 379273875 /nfs/dbraw/zinc/27/38/75/379273875.db2.gz DQGNHGPRMNXUIN-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(F)c1F ZINC000278916511 194210393 /nfs/dbraw/zinc/21/03/93/194210393.db2.gz HJGWPYSRVJSXFN-NWDGAFQWSA-N 2 1 291.345 3.075 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000278397580 379372890 /nfs/dbraw/zinc/37/28/90/379372890.db2.gz FIQJYUADCJSSOY-FCLXEUQJSA-N 2 1 276.399 3.144 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000278330617 379350137 /nfs/dbraw/zinc/35/01/37/379350137.db2.gz DLZPSVHCOJOLHO-MRXNPFEDSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)CCC3)CC1 ZINC000349988566 379470522 /nfs/dbraw/zinc/47/05/22/379470522.db2.gz FEKOHGBKEIDLLW-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)CCC3)CC1 ZINC000349988566 379470533 /nfs/dbraw/zinc/47/05/33/379470533.db2.gz FEKOHGBKEIDLLW-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP C([C@H]1CCSC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000375749184 379508037 /nfs/dbraw/zinc/50/80/37/379508037.db2.gz MXXGDJKSAYKQGC-DLBZAZTESA-N 2 1 296.524 3.328 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+](C)C ZINC000376584914 379584417 /nfs/dbraw/zinc/58/44/17/379584417.db2.gz DGBQIRMEGVJBGN-SJORKVTESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266917023 190290808 /nfs/dbraw/zinc/29/08/08/190290808.db2.gz KUZRDKYHEKGDSF-CHWSQXEVSA-N 2 1 273.355 3.489 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639760437 379572153 /nfs/dbraw/zinc/57/21/53/379572153.db2.gz YBDXKIMJHPWKEJ-UHFFFAOYSA-N 2 1 293.480 3.184 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000377549579 379694997 /nfs/dbraw/zinc/69/49/97/379694997.db2.gz LRQNJBYREARZQP-UHFFFAOYSA-N 2 1 292.373 3.062 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CCC(C)C)CC1 ZINC000639985969 379676071 /nfs/dbraw/zinc/67/60/71/379676071.db2.gz GUJJMZSVGARZJB-KRWDZBQOSA-N 2 1 296.499 3.124 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]1Cc1ccccc1 ZINC000351473469 379721823 /nfs/dbraw/zinc/72/18/23/379721823.db2.gz UYVUUVGITKTTTI-ROUUACIJSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000351473469 379721829 /nfs/dbraw/zinc/72/18/29/379721829.db2.gz UYVUUVGITKTTTI-ROUUACIJSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000351473469 379721835 /nfs/dbraw/zinc/72/18/35/379721835.db2.gz UYVUUVGITKTTTI-ROUUACIJSA-N 2 1 272.436 3.178 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000280687927 379764538 /nfs/dbraw/zinc/76/45/38/379764538.db2.gz ATCZOFCBAGQQNO-VDHUWJSZSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H](C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000352527337 379844807 /nfs/dbraw/zinc/84/48/07/379844807.db2.gz ZBNKTMDHKOAMOU-BBRMVZONSA-N 2 1 264.388 3.133 20 0 CGADMP CCSc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352540899 379848385 /nfs/dbraw/zinc/84/83/85/379848385.db2.gz RCIZFGDVQCCSKV-QGZVFWFLSA-N 2 1 290.476 3.374 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352540899 379848391 /nfs/dbraw/zinc/84/83/91/379848391.db2.gz RCIZFGDVQCCSKV-QGZVFWFLSA-N 2 1 290.476 3.374 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352541220 379849237 /nfs/dbraw/zinc/84/92/37/379849237.db2.gz VFFLTDXNUNMHBO-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352541220 379849241 /nfs/dbraw/zinc/84/92/41/379849241.db2.gz VFFLTDXNUNMHBO-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)oc1C ZINC000282162850 379864938 /nfs/dbraw/zinc/86/49/38/379864938.db2.gz LUQVLMHFIBGKRZ-WCQYABFASA-N 2 1 275.396 3.388 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000352468213 379828250 /nfs/dbraw/zinc/82/82/50/379828250.db2.gz PNRZORKMMLMQIC-PMPSAXMXSA-N 2 1 290.451 3.176 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)C[C@@]1(C)C[NH3+] ZINC000388555835 379887692 /nfs/dbraw/zinc/88/76/92/379887692.db2.gz XZGAVUAIPCXAJZ-MLGOLLRUSA-N 2 1 274.433 3.318 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000402536628 379967450 /nfs/dbraw/zinc/96/74/50/379967450.db2.gz YHXOSPPTYWPIRC-AVGNSLFASA-N 2 1 278.362 3.181 20 0 CGADMP CC1CCC(C)([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352758444 379942174 /nfs/dbraw/zinc/94/21/74/379942174.db2.gz XVHCOBXSNDLCJB-UHFFFAOYSA-N 2 1 281.469 3.263 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352769920 379950848 /nfs/dbraw/zinc/95/08/48/379950848.db2.gz IZAYRXWUKLHRKI-XQRVVYSFSA-N 2 1 282.378 3.298 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352769920 379950852 /nfs/dbraw/zinc/95/08/52/379950852.db2.gz IZAYRXWUKLHRKI-XQRVVYSFSA-N 2 1 282.378 3.298 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000352776537 379952581 /nfs/dbraw/zinc/95/25/81/379952581.db2.gz SVHWMEBZCDSDGF-WQZXPNJLSA-N 2 1 280.362 3.050 20 0 CGADMP CCCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000401833874 379958196 /nfs/dbraw/zinc/95/81/96/379958196.db2.gz HGBRDFWKRUAFCP-QGZVFWFLSA-N 2 1 271.408 3.484 20 0 CGADMP Cc1cc(C)c([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1C ZINC000401876266 379958276 /nfs/dbraw/zinc/95/82/76/379958276.db2.gz NKYOIDLSJAKQQM-HNNXBMFYSA-N 2 1 271.408 3.239 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2CC2)C1 ZINC000409446018 380033751 /nfs/dbraw/zinc/03/37/51/380033751.db2.gz AWZCKYLSKAQCNW-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC000409446018 380033757 /nfs/dbraw/zinc/03/37/57/380033757.db2.gz AWZCKYLSKAQCNW-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000409446018 380033761 /nfs/dbraw/zinc/03/37/61/380033761.db2.gz AWZCKYLSKAQCNW-RDJZCZTQSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CC(c3ccccc3)C2)CC[N@H+]1C ZINC000283382650 380058450 /nfs/dbraw/zinc/05/84/50/380058450.db2.gz OUOWMZOXWYCBFX-VSVYTNTFSA-N 2 1 272.436 3.253 20 0 CGADMP C[NH+](C)[C@H]1C[C@@H](CNc2cc(C(C)(C)C)cc[nH+]2)C1 ZINC000641655637 380038071 /nfs/dbraw/zinc/03/80/71/380038071.db2.gz SYALVYHEECGOLY-XBXGTLAGSA-N 2 1 261.413 3.131 20 0 CGADMP CSc1ccccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353152275 380142384 /nfs/dbraw/zinc/14/23/84/380142384.db2.gz IGLMSTRTMNQNDW-XYPWUTKMSA-N 2 1 290.476 3.466 20 0 CGADMP CSc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353152275 380142390 /nfs/dbraw/zinc/14/23/90/380142390.db2.gz IGLMSTRTMNQNDW-XYPWUTKMSA-N 2 1 290.476 3.466 20 0 CGADMP CSc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353152275 380142398 /nfs/dbraw/zinc/14/23/98/380142398.db2.gz IGLMSTRTMNQNDW-XYPWUTKMSA-N 2 1 290.476 3.466 20 0 CGADMP CSc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353152275 380142407 /nfs/dbraw/zinc/14/24/07/380142407.db2.gz IGLMSTRTMNQNDW-XYPWUTKMSA-N 2 1 290.476 3.466 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC000410406080 380092767 /nfs/dbraw/zinc/09/27/67/380092767.db2.gz TXALWRHEEUGILA-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000641798677 380110898 /nfs/dbraw/zinc/11/08/98/380110898.db2.gz GOGDUTWMJQYPRM-MRXNPFEDSA-N 2 1 299.418 3.128 20 0 CGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000641801623 380111034 /nfs/dbraw/zinc/11/10/34/380111034.db2.gz CZIMHWGXTSJAPN-IRXDYDNUSA-N 2 1 297.402 3.089 20 0 CGADMP CC[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)OC ZINC000353095324 380112012 /nfs/dbraw/zinc/11/20/12/380112012.db2.gz PHNSQRCXSHJPCX-KRWDZBQOSA-N 2 1 292.467 3.159 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)CC(F)(F)F ZINC000414261844 380205590 /nfs/dbraw/zinc/20/55/90/380205590.db2.gz IXVYDCWBUWELKE-AVGNSLFASA-N 2 1 280.378 3.285 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000414191351 380199682 /nfs/dbraw/zinc/19/96/82/380199682.db2.gz RVVRNBAOHZZFNZ-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP Clc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC000643249842 380244445 /nfs/dbraw/zinc/24/44/45/380244445.db2.gz PRUFOZVGZVQXTO-ZIAGYGMSSA-N 2 1 286.806 3.144 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)CC(C)C ZINC000507471256 284823941 /nfs/dbraw/zinc/82/39/41/284823941.db2.gz OTWVAYBPCJKAKO-ULQDDVLXSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1occc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000414288381 380207646 /nfs/dbraw/zinc/20/76/46/380207646.db2.gz PVBSJDHEGPYJEA-AWEZNQCLSA-N 2 1 264.413 3.190 20 0 CGADMP c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCS2)cc1 ZINC000643057915 380209332 /nfs/dbraw/zinc/20/93/32/380209332.db2.gz ZTTHGZKMSUTIDD-RDJZCZTQSA-N 2 1 290.476 3.166 20 0 CGADMP Cc1occc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000414394793 380221144 /nfs/dbraw/zinc/22/11/44/380221144.db2.gz PVPPXWMNAAVKEI-AWEZNQCLSA-N 2 1 252.402 3.044 20 0 CGADMP Cc1ccccc1C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000643502414 380326640 /nfs/dbraw/zinc/32/66/40/380326640.db2.gz FQUWQQGYDIVECP-QZTJIDSGSA-N 2 1 272.436 3.048 20 0 CGADMP Clc1cccc([C@H]2CC[C@@H]([NH2+]CC[NH2+]C3CC3)C2)c1 ZINC000643508240 380331578 /nfs/dbraw/zinc/33/15/78/380331578.db2.gz VYQLPDRKVFEGCY-XJKSGUPXSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354078320 380311759 /nfs/dbraw/zinc/31/17/59/380311759.db2.gz PYKXODSNOBVJIV-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354078320 380311764 /nfs/dbraw/zinc/31/17/64/380311764.db2.gz PYKXODSNOBVJIV-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354078320 380311768 /nfs/dbraw/zinc/31/17/68/380311768.db2.gz PYKXODSNOBVJIV-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354078320 380311772 /nfs/dbraw/zinc/31/17/72/380311772.db2.gz PYKXODSNOBVJIV-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221593 380367858 /nfs/dbraw/zinc/36/78/58/380367858.db2.gz HLEZUBNKZSXNBW-ZBFHGGJFSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221593 380367863 /nfs/dbraw/zinc/36/78/63/380367863.db2.gz HLEZUBNKZSXNBW-ZBFHGGJFSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221593 380367866 /nfs/dbraw/zinc/36/78/66/380367866.db2.gz HLEZUBNKZSXNBW-ZBFHGGJFSA-N 2 1 294.414 3.009 20 0 CGADMP CCSc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000414679444 380368795 /nfs/dbraw/zinc/36/87/95/380368795.db2.gz ZWGLVCQILXQPGS-BHYGNILZSA-N 2 1 290.476 3.358 20 0 CGADMP CC[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000414767831 380396315 /nfs/dbraw/zinc/39/63/15/380396315.db2.gz KMYSTOOUVHWIHI-RYQLBKOJSA-N 2 1 272.436 3.112 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000414700700 380380301 /nfs/dbraw/zinc/38/03/01/380380301.db2.gz VBALWYNYFQGAPG-CVEARBPZSA-N 2 1 290.451 3.132 20 0 CGADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000414717477 380385102 /nfs/dbraw/zinc/38/51/02/380385102.db2.gz ZNJCLHGHIMYHQN-YESZJQIVSA-N 2 1 290.451 3.084 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](Cc2c(F)cccc2F)C2CC2)CC[NH2+]1 ZINC000414741717 380391087 /nfs/dbraw/zinc/39/10/87/380391087.db2.gz FOZABRIVPJIANK-QWHCGFSZSA-N 2 1 294.389 3.317 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1OCCC ZINC000643526236 380342350 /nfs/dbraw/zinc/34/23/50/380342350.db2.gz VUZXQCLUQSSCAZ-KBPBESRZSA-N 2 1 294.439 3.262 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000643527752 380342519 /nfs/dbraw/zinc/34/25/19/380342519.db2.gz RVPKOFMPWXDGMH-TVQRCGJNSA-N 2 1 297.240 3.108 20 0 CGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528315 380344386 /nfs/dbraw/zinc/34/43/86/380344386.db2.gz GYOMUJSUJDYYQX-VHSXEESVSA-N 2 1 293.411 3.255 20 0 CGADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643529325 380346465 /nfs/dbraw/zinc/34/64/65/380346465.db2.gz YQDYJXBJLJDUJS-VHSXEESVSA-N 2 1 293.411 3.255 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414669899 380362116 /nfs/dbraw/zinc/36/21/16/380362116.db2.gz CDWYGWKREIRFPZ-OWCLPIDISA-N 2 1 260.425 3.376 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000414812747 380424575 /nfs/dbraw/zinc/42/45/75/380424575.db2.gz LLCYUUWHJHHFFE-MWQQHZPXSA-N 2 1 260.425 3.286 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000414815389 380425421 /nfs/dbraw/zinc/42/54/21/380425421.db2.gz XKQIDCSMCXYLCC-UHFFFAOYSA-N 2 1 258.768 3.086 20 0 CGADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000414813982 380425976 /nfs/dbraw/zinc/42/59/76/380425976.db2.gz UYHQYNXCPWWXPX-NSHDSACASA-N 2 1 287.432 3.330 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000414816840 380427443 /nfs/dbraw/zinc/42/74/43/380427443.db2.gz YCWWCBREHDAHLB-JFUPDXTOSA-N 2 1 272.436 3.287 20 0 CGADMP c1ccc2c(c1)CC([NH2+]CC[NH2+]C1CCCCCC1)C2 ZINC000414816158 380427684 /nfs/dbraw/zinc/42/76/84/380427684.db2.gz WJSGLEBWCSIDNU-UHFFFAOYSA-N 2 1 272.436 3.056 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1c(C)oc2ccccc21 ZINC000414819141 380430043 /nfs/dbraw/zinc/43/00/43/380430043.db2.gz XZCFVDCDQTXSQT-CYBMUJFWSA-N 2 1 260.381 3.348 20 0 CGADMP C[C@H](C[NH2+]Cc1c(Cl)ccc2cccnc21)C[NH+](C)C ZINC000644411913 380433238 /nfs/dbraw/zinc/43/32/38/380433238.db2.gz KXZVQSFLQHSBFU-GFCCVEGCSA-N 2 1 291.826 3.176 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1F ZINC000414830636 380439811 /nfs/dbraw/zinc/43/98/11/380439811.db2.gz BGJQRNUGSCKZKA-HIFRSBDPSA-N 2 1 266.404 3.110 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000414830706 380440100 /nfs/dbraw/zinc/44/01/00/380440100.db2.gz BJVCNSOGYTYQJY-YOEHRIQHSA-N 2 1 260.425 3.287 20 0 CGADMP COc1ccccc1/C=C/C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414831549 380440289 /nfs/dbraw/zinc/44/02/89/380440289.db2.gz CLCDDKIBTIFEGK-ZBZNSMLMSA-N 2 1 288.435 3.206 20 0 CGADMP CSc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414849081 380452383 /nfs/dbraw/zinc/45/23/83/380452383.db2.gz XBVJZHOUKVXDSN-UHFFFAOYSA-N 2 1 264.438 3.160 20 0 CGADMP C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414850843 380454291 /nfs/dbraw/zinc/45/42/91/380454291.db2.gz IOEBKGSBCRDVBG-GHMZBOCLSA-N 2 1 287.234 3.471 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414772869 380398130 /nfs/dbraw/zinc/39/81/30/380398130.db2.gz VPVKDVOQRVPGIG-KDURUIRLSA-N 2 1 286.463 3.284 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414790435 380406791 /nfs/dbraw/zinc/40/67/91/380406791.db2.gz ZUUDYPZNSRYFPM-HZPDHXFCSA-N 2 1 290.426 3.210 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414793560 380408606 /nfs/dbraw/zinc/40/86/06/380408606.db2.gz KOSMAZTXIHOVNH-CYBMUJFWSA-N 2 1 274.330 3.087 20 0 CGADMP Cc1ccc2[nH+]ccc(NCCNc3cccc(C)[nH+]3)c2c1 ZINC000354558195 380486088 /nfs/dbraw/zinc/48/60/88/380486088.db2.gz ANDKXUXITGYRMW-UHFFFAOYSA-N 2 1 292.386 3.193 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000417339570 380598196 /nfs/dbraw/zinc/59/81/96/380598196.db2.gz OISNMJWFQYQHPA-NXHRZFHOSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000417339570 380598204 /nfs/dbraw/zinc/59/82/04/380598204.db2.gz OISNMJWFQYQHPA-NXHRZFHOSA-N 2 1 284.447 3.429 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCCCOC(C)(C)C)CC2 ZINC000355285239 380628973 /nfs/dbraw/zinc/62/89/73/380628973.db2.gz GODDLZLUHYYSJW-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCCCOC(C)(C)C)CC2 ZINC000355285239 380628979 /nfs/dbraw/zinc/62/89/79/380628979.db2.gz GODDLZLUHYYSJW-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000417871890 380685185 /nfs/dbraw/zinc/68/51/85/380685185.db2.gz MXCRQEZNHNDSTP-XSLAGTTESA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000417871890 380685190 /nfs/dbraw/zinc/68/51/90/380685190.db2.gz MXCRQEZNHNDSTP-XSLAGTTESA-N 2 1 270.420 3.007 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1c(F)cccc1F ZINC000645813326 380740268 /nfs/dbraw/zinc/74/02/68/380740268.db2.gz HFEHDJNUPLLXTR-KGLIPLIRSA-N 2 1 294.389 3.066 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1c(F)cccc1F ZINC000645837803 380746924 /nfs/dbraw/zinc/74/69/24/380746924.db2.gz DMSKSMUGCGEEFV-UHFFFAOYSA-N 2 1 293.361 3.034 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1c(F)cccc1F ZINC000645837803 380746927 /nfs/dbraw/zinc/74/69/27/380746927.db2.gz DMSKSMUGCGEEFV-UHFFFAOYSA-N 2 1 293.361 3.034 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318917 380873878 /nfs/dbraw/zinc/87/38/78/380873878.db2.gz IZDZXHAYTIUGRJ-OALUTQOASA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318917 380873891 /nfs/dbraw/zinc/87/38/91/380873891.db2.gz IZDZXHAYTIUGRJ-OALUTQOASA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318917 380873903 /nfs/dbraw/zinc/87/39/03/380873903.db2.gz IZDZXHAYTIUGRJ-OALUTQOASA-N 2 1 284.447 3.480 20 0 CGADMP Clc1ccc2c(c1Cl)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000420310010 380848694 /nfs/dbraw/zinc/84/86/94/380848694.db2.gz URXVDVZIOBFVAP-LLVKDONJSA-N 2 1 299.245 3.351 20 0 CGADMP Fc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333390 380852549 /nfs/dbraw/zinc/85/25/49/380852549.db2.gz SSZKSGQWRDTVGW-QWHCGFSZSA-N 2 1 296.817 3.301 20 0 CGADMP Cc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405053 380852656 /nfs/dbraw/zinc/85/26/56/380852656.db2.gz SOKRFWOBCPXKIB-QZTJIDSGSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000356840668 380896840 /nfs/dbraw/zinc/89/68/40/380896840.db2.gz FVFDGDOMBHRVLL-YOEHRIQHSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000356840668 380896849 /nfs/dbraw/zinc/89/68/49/380896849.db2.gz FVFDGDOMBHRVLL-YOEHRIQHSA-N 2 1 258.409 3.182 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421375897 380915725 /nfs/dbraw/zinc/91/57/25/380915725.db2.gz DJUXKYFUKKNXPC-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Cl)cc1 ZINC000360044623 381423786 /nfs/dbraw/zinc/42/37/86/381423786.db2.gz GNRVTHPQYSPHCA-MRXNPFEDSA-N 2 1 298.858 3.349 20 0 CGADMP Cc1sc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)nc1C(C)C ZINC000361346504 381709587 /nfs/dbraw/zinc/70/95/87/381709587.db2.gz OXULIUCVDGWIDJ-YPMHNXCESA-N 2 1 281.469 3.005 20 0 CGADMP COCC[N@@H+](CCCCn1ccnc1C)[C@H]1CC[C@@H](C)C1 ZINC000362163504 381894025 /nfs/dbraw/zinc/89/40/25/381894025.db2.gz OPJKVOGEJKUNEQ-WBVHZDCISA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CC[C@@H](C)C1 ZINC000362163504 381894033 /nfs/dbraw/zinc/89/40/33/381894033.db2.gz OPJKVOGEJKUNEQ-WBVHZDCISA-N 2 1 293.455 3.109 20 0 CGADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CC[C@@H](C)C1 ZINC000362163504 381894040 /nfs/dbraw/zinc/89/40/40/381894040.db2.gz OPJKVOGEJKUNEQ-WBVHZDCISA-N 2 1 293.455 3.109 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCC[C@H](C)C1 ZINC000573218082 322376201 /nfs/dbraw/zinc/37/62/01/322376201.db2.gz ZLBAHUSZQHJMRZ-KKUMJFAQSA-N 2 1 263.429 3.157 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364611094 382273139 /nfs/dbraw/zinc/27/31/39/382273139.db2.gz YNGYYODRHAJAGA-RBSFLKMASA-N 2 1 275.440 3.250 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366485000 382311178 /nfs/dbraw/zinc/31/11/78/382311178.db2.gz UXLFEBDCYSNAHO-OAHLLOKOSA-N 2 1 298.352 3.233 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366485000 382311185 /nfs/dbraw/zinc/31/11/85/382311185.db2.gz UXLFEBDCYSNAHO-OAHLLOKOSA-N 2 1 298.352 3.233 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366485000 382311189 /nfs/dbraw/zinc/31/11/89/382311189.db2.gz UXLFEBDCYSNAHO-OAHLLOKOSA-N 2 1 298.352 3.233 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366485000 382311196 /nfs/dbraw/zinc/31/11/96/382311196.db2.gz UXLFEBDCYSNAHO-OAHLLOKOSA-N 2 1 298.352 3.233 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@H+](CCCCC3CCOCC3)C2)n1 ZINC000366844295 382319792 /nfs/dbraw/zinc/31/97/92/382319792.db2.gz IOWBYUSGZSVIKH-MRXNPFEDSA-N 2 1 291.439 3.186 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)[C@H](C)C1 ZINC000248490277 542335284 /nfs/dbraw/zinc/33/52/84/542335284.db2.gz HXGNYKYYZYAVNT-RBZJEDDUSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000042489354 184554109 /nfs/dbraw/zinc/55/41/09/184554109.db2.gz RSRUVLBGEDFKCX-UHFFFAOYSA-N 2 1 272.845 3.223 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251741300 542347862 /nfs/dbraw/zinc/34/78/62/542347862.db2.gz KWUPTUXLCTXGGK-YWPYICTPSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251741300 542347864 /nfs/dbraw/zinc/34/78/64/542347864.db2.gz KWUPTUXLCTXGGK-YWPYICTPSA-N 2 1 266.816 3.460 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250272506 542342573 /nfs/dbraw/zinc/34/25/73/542342573.db2.gz SDJGVTHCICPYLD-ZWKOTPCHSA-N 2 1 272.436 3.213 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424371698 533000738 /nfs/dbraw/zinc/00/07/38/533000738.db2.gz GEQNVBFDJLMXNL-KCPJHIHWSA-N 2 1 264.438 3.329 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@H](C)C1 ZINC000280963591 195047493 /nfs/dbraw/zinc/04/74/93/195047493.db2.gz ZFBIIJUSAPLCFF-UWIFEVILSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000335335053 208215518 /nfs/dbraw/zinc/21/55/18/208215518.db2.gz MNLGAJDDSQSHIS-GWCFXTLKSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000335335053 208215520 /nfs/dbraw/zinc/21/55/20/208215520.db2.gz MNLGAJDDSQSHIS-GWCFXTLKSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@@H]([NH2+]CCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586293 542367435 /nfs/dbraw/zinc/36/74/35/542367435.db2.gz WVCSYRJWVFHCLU-QAPCUYQASA-N 2 1 272.436 3.287 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000353743423 220292799 /nfs/dbraw/zinc/29/27/99/220292799.db2.gz BTPYDULQQVZBMA-KXBFYZLASA-N 2 1 286.463 3.480 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000353743423 220292801 /nfs/dbraw/zinc/29/28/01/220292801.db2.gz BTPYDULQQVZBMA-KXBFYZLASA-N 2 1 286.463 3.480 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000353743423 220292802 /nfs/dbraw/zinc/29/28/02/220292802.db2.gz BTPYDULQQVZBMA-KXBFYZLASA-N 2 1 286.463 3.480 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000289322558 197296809 /nfs/dbraw/zinc/29/68/09/197296809.db2.gz UUPIOBNOQWHWTH-SUMWQHHRSA-N 2 1 269.392 3.420 20 0 CGADMP CO[C@H](C)C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411726597 533080524 /nfs/dbraw/zinc/08/05/24/533080524.db2.gz PUGGNCVIDZTTKK-MRXNPFEDSA-N 2 1 290.451 3.139 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1 ZINC000289186193 197256710 /nfs/dbraw/zinc/25/67/10/197256710.db2.gz AYHCBZVPZYLYGF-UHFFFAOYSA-N 2 1 283.419 3.165 20 0 CGADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(C)c1O ZINC000289179052 197255268 /nfs/dbraw/zinc/25/52/68/197255268.db2.gz AEWQONHHAUFHHV-SJPCQFCGSA-N 2 1 288.435 3.066 20 0 CGADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1O ZINC000289179052 197255270 /nfs/dbraw/zinc/25/52/70/197255270.db2.gz AEWQONHHAUFHHV-SJPCQFCGSA-N 2 1 288.435 3.066 20 0 CGADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1O ZINC000289179052 197255271 /nfs/dbraw/zinc/25/52/71/197255271.db2.gz AEWQONHHAUFHHV-SJPCQFCGSA-N 2 1 288.435 3.066 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000449065573 285192023 /nfs/dbraw/zinc/19/20/23/285192023.db2.gz UOMMHJMESUUUIJ-SQWLQELKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337989747 542483215 /nfs/dbraw/zinc/48/32/15/542483215.db2.gz NLEMBUCZULKYEM-ZNMIVQPWSA-N 2 1 258.425 3.225 20 0 CGADMP Clc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068416 542486079 /nfs/dbraw/zinc/48/60/79/542486079.db2.gz PJPJBJRBCURSBE-HOTGVXAUSA-N 2 1 278.827 3.099 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339066087 542486208 /nfs/dbraw/zinc/48/62/08/542486208.db2.gz ATTCAZNUUWFJLN-YESZJQIVSA-N 2 1 287.451 3.304 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000339066087 542486209 /nfs/dbraw/zinc/48/62/09/542486209.db2.gz ATTCAZNUUWFJLN-YESZJQIVSA-N 2 1 287.451 3.304 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339075005 542486302 /nfs/dbraw/zinc/48/63/02/542486302.db2.gz OXNNZSOTKNBNAM-SJORKVTESA-N 2 1 288.435 3.110 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339075005 542486305 /nfs/dbraw/zinc/48/63/05/542486305.db2.gz OXNNZSOTKNBNAM-SJORKVTESA-N 2 1 288.435 3.110 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCCCCC1 ZINC000542477412 288753964 /nfs/dbraw/zinc/75/39/64/288753964.db2.gz ILRRZMCWWRPOQU-CJNGLKHVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423373731 296453105 /nfs/dbraw/zinc/45/31/05/296453105.db2.gz SDSHXEFXUWASQB-AQMVCYDESA-N 2 1 294.389 3.189 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCC[NH+]2C(C)C)C[C@H]1C ZINC000450466852 285397178 /nfs/dbraw/zinc/39/71/78/285397178.db2.gz JYTRGEJJQPAHPJ-FGTMMUONSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC000450466852 285397180 /nfs/dbraw/zinc/39/71/80/285397180.db2.gz JYTRGEJJQPAHPJ-FGTMMUONSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC000450466852 285397181 /nfs/dbraw/zinc/39/71/81/285397181.db2.gz JYTRGEJJQPAHPJ-FGTMMUONSA-N 2 1 295.515 3.054 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc2c1 ZINC000423437104 533336891 /nfs/dbraw/zinc/33/68/91/533336891.db2.gz FYFZNEBWJWJZKW-AGIUHOORSA-N 2 1 272.392 3.235 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423317571 533425054 /nfs/dbraw/zinc/42/50/54/533425054.db2.gz BULJVTSFIRCMRI-DYVFJYSZSA-N 2 1 272.392 3.473 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423330313 533438308 /nfs/dbraw/zinc/43/83/08/533438308.db2.gz FTBDDBPTEYMLNC-RHSMWYFYSA-N 2 1 290.455 3.039 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423496833 533658471 /nfs/dbraw/zinc/65/84/71/533658471.db2.gz FMVGYCFHTJJMRB-SJCJKPOMSA-N 2 1 296.405 3.393 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccsc1 ZINC000191222225 130204760 /nfs/dbraw/zinc/20/47/60/130204760.db2.gz SXWXGJPGMLFPCV-MRXNPFEDSA-N 2 1 296.480 3.290 20 0 CGADMP c1cc2[nH+]ccc(N3CCC([C@H]4CC[NH2+]C4)CC3)c2s1 ZINC000420270456 285463630 /nfs/dbraw/zinc/46/36/30/285463630.db2.gz YXNXNXPSIQUZPI-ZDUSSCGKSA-N 2 1 287.432 3.122 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000036908065 391978911 /nfs/dbraw/zinc/97/89/11/391978911.db2.gz SGZXQPCDUADTLV-XJKCOSOUSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000052336928 392077546 /nfs/dbraw/zinc/07/75/46/392077546.db2.gz GIOBJTNXUBGYOL-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061329112 392127569 /nfs/dbraw/zinc/12/75/69/392127569.db2.gz LEGGIUXQRSYDTC-TZMCWYRMSA-N 2 1 264.438 3.057 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000361767466 392318423 /nfs/dbraw/zinc/31/84/23/392318423.db2.gz BPKCISCKFFPKOS-JHJVBQTASA-N 2 1 293.480 3.155 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000361767466 392318427 /nfs/dbraw/zinc/31/84/27/392318427.db2.gz BPKCISCKFFPKOS-JHJVBQTASA-N 2 1 293.480 3.155 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000237495635 131036484 /nfs/dbraw/zinc/03/64/84/131036484.db2.gz GVSXWOVEYGINCU-AWEZNQCLSA-N 2 1 264.413 3.190 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1C(F)(F)F ZINC000361798883 392325239 /nfs/dbraw/zinc/32/52/39/392325239.db2.gz NQWGWOITAGDLTB-NSHDSACASA-N 2 1 297.324 3.332 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441351470 542664886 /nfs/dbraw/zinc/66/48/86/542664886.db2.gz JCKNEMDHYHIZPP-QGZVFWFLSA-N 2 1 297.531 3.209 20 0 CGADMP c1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250526691 131126964 /nfs/dbraw/zinc/12/69/64/131126964.db2.gz HWKKJOLHRCADBP-GJZGRUSLSA-N 2 1 270.376 3.149 20 0 CGADMP c1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250526691 131126965 /nfs/dbraw/zinc/12/69/65/131126965.db2.gz HWKKJOLHRCADBP-GJZGRUSLSA-N 2 1 270.376 3.149 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000111380492 392380208 /nfs/dbraw/zinc/38/02/08/392380208.db2.gz GEQLCXCEONAMEX-CQSZACIVSA-N 2 1 286.341 3.409 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000123649388 392429789 /nfs/dbraw/zinc/42/97/89/392429789.db2.gz XCTBAWCIDBYLPG-CQSZACIVSA-N 2 1 254.805 3.145 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292050545 392497670 /nfs/dbraw/zinc/49/76/70/392497670.db2.gz BNHXYZYNLZSIPU-DLBZAZTESA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292050545 392497677 /nfs/dbraw/zinc/49/76/77/392497677.db2.gz BNHXYZYNLZSIPU-DLBZAZTESA-N 2 1 276.399 3.304 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292050545 392497683 /nfs/dbraw/zinc/49/76/83/392497683.db2.gz BNHXYZYNLZSIPU-DLBZAZTESA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000156150455 392546198 /nfs/dbraw/zinc/54/61/98/392546198.db2.gz KKBAOVDVSGDLKW-HZUKXOBISA-N 2 1 278.827 3.400 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000156150455 392546206 /nfs/dbraw/zinc/54/62/06/392546206.db2.gz KKBAOVDVSGDLKW-HZUKXOBISA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157673479 392550789 /nfs/dbraw/zinc/55/07/89/392550789.db2.gz DUZMEQFDWVPRQW-VXGBXAGGSA-N 2 1 289.810 3.057 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647288712 392639513 /nfs/dbraw/zinc/63/95/13/392639513.db2.gz LTDRHQPSTKUDDP-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000308770009 392656529 /nfs/dbraw/zinc/65/65/29/392656529.db2.gz MJKHCFNIBYZTCZ-YCPHGPKFSA-N 2 1 264.457 3.441 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@H](c2ccccc2)C1 ZINC000647343794 392692739 /nfs/dbraw/zinc/69/27/39/392692739.db2.gz CEUSYBJLAAZBCK-BRIYLRKRSA-N 2 1 284.447 3.110 20 0 CGADMP Cc1ccccc1C1([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000647316127 392661527 /nfs/dbraw/zinc/66/15/27/392661527.db2.gz RAKLHUPWEPONJA-UHFFFAOYSA-N 2 1 272.436 3.447 20 0 CGADMP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482864 392736400 /nfs/dbraw/zinc/73/64/00/392736400.db2.gz DUEVSSCBQQJUOK-UHFFFAOYSA-N 2 1 294.826 3.065 20 0 CGADMP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482864 392736403 /nfs/dbraw/zinc/73/64/03/392736403.db2.gz DUEVSSCBQQJUOK-UHFFFAOYSA-N 2 1 294.826 3.065 20 0 CGADMP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482654 392737089 /nfs/dbraw/zinc/73/70/89/392737089.db2.gz WAJDBNTZGLXNPB-UHFFFAOYSA-N 2 1 278.827 3.365 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496572 392740846 /nfs/dbraw/zinc/74/08/46/392740846.db2.gz YZYYTCZRDSXNCX-GJZGRUSLSA-N 2 1 260.425 3.023 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647498429 392742777 /nfs/dbraw/zinc/74/27/77/392742777.db2.gz GXKQFNLAONBPAP-SJLPKXTDSA-N 2 1 290.451 3.425 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647499101 392742839 /nfs/dbraw/zinc/74/28/39/392742839.db2.gz ZLRARPYHVRDYBO-BFYDXBDKSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccccc2OC(C)C)CC[C@H]1[NH3+] ZINC000647498424 392742892 /nfs/dbraw/zinc/74/28/92/392742892.db2.gz GWVHVLGBHOJOAI-GOEBONIOSA-N 2 1 276.424 3.033 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OC(C)C)CC[C@H]1[NH3+] ZINC000647498424 392742896 /nfs/dbraw/zinc/74/28/96/392742896.db2.gz GWVHVLGBHOJOAI-GOEBONIOSA-N 2 1 276.424 3.033 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000647531320 392751486 /nfs/dbraw/zinc/75/14/86/392751486.db2.gz OGONGYSKHPLAKQ-UHFFFAOYSA-N 2 1 289.810 3.201 20 0 CGADMP Fc1ccc2oc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000647536970 392756660 /nfs/dbraw/zinc/75/66/60/392756660.db2.gz REPDHFRNMBTODM-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2oc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000647536970 392756665 /nfs/dbraw/zinc/75/66/65/392756665.db2.gz REPDHFRNMBTODM-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543040 392760372 /nfs/dbraw/zinc/76/03/72/392760372.db2.gz GXBQEMXDKIKFTH-ZWKOTPCHSA-N 2 1 272.436 3.207 20 0 CGADMP Fc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543783 392760891 /nfs/dbraw/zinc/76/08/91/392760891.db2.gz RYUNEGRGAHEIQR-HUUCEWRRSA-N 2 1 294.389 3.176 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000647552738 392765445 /nfs/dbraw/zinc/76/54/45/392765445.db2.gz UJAXDYRLXBVOJQ-RYUDHWBXSA-N 2 1 275.421 3.026 20 0 CGADMP CC[C@@H]1C[N@@H+](CCSc2ccc(C)c(C)c2)CC[C@@H]1[NH3+] ZINC000647936795 392837647 /nfs/dbraw/zinc/83/76/47/392837647.db2.gz LMGQLHROUVSZGJ-WBVHZDCISA-N 2 1 292.492 3.455 20 0 CGADMP CC[C@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647936813 392837772 /nfs/dbraw/zinc/83/77/72/392837772.db2.gz LSKSJRHKVSAMNO-MAUKXSAKSA-N 2 1 298.430 3.278 20 0 CGADMP CC[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647936758 392837791 /nfs/dbraw/zinc/83/77/91/392837791.db2.gz KTKGWYXOSHRGCY-SWLSCSKDSA-N 2 1 298.883 3.491 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1cccs1 ZINC000375897336 392839146 /nfs/dbraw/zinc/83/91/46/392839146.db2.gz GUKDYBMPDMIGPG-SVGFKBNWSA-N 2 1 292.492 3.389 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000509964864 392777969 /nfs/dbraw/zinc/77/79/69/392777969.db2.gz XZTGJKSRCGDEJG-JKSUJKDBSA-N 2 1 263.429 3.386 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000375705402 392807335 /nfs/dbraw/zinc/80/73/35/392807335.db2.gz QCHOKQUGFFAVQR-VNTMZGSJSA-N 2 1 298.474 3.329 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000510734783 392813134 /nfs/dbraw/zinc/81/31/34/392813134.db2.gz ODGHVDJODLMZTP-MCIONIFRSA-N 2 1 296.405 3.358 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000510734783 392813143 /nfs/dbraw/zinc/81/31/43/392813143.db2.gz ODGHVDJODLMZTP-MCIONIFRSA-N 2 1 296.405 3.358 20 0 CGADMP Clc1ccc(CCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957047 392843071 /nfs/dbraw/zinc/84/30/71/392843071.db2.gz JQUMZXMYCPJVSG-KRWDZBQOSA-N 2 1 292.854 3.348 20 0 CGADMP c1ccc([C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000647874651 392820786 /nfs/dbraw/zinc/82/07/86/392820786.db2.gz JUKXDZDLLNBYKC-OXJNMPFZSA-N 2 1 292.426 3.244 20 0 CGADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647875490 392821110 /nfs/dbraw/zinc/82/11/10/392821110.db2.gz DSMNISVGJRTESI-VXGBXAGGSA-N 2 1 286.341 3.308 20 0 CGADMP Cc1c[nH+]ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000335874554 392822118 /nfs/dbraw/zinc/82/21/18/392822118.db2.gz ZUOKZQGWNNFBEG-UHFFFAOYSA-N 2 1 296.418 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000513658970 392854336 /nfs/dbraw/zinc/85/43/36/392854336.db2.gz ADURBPUFVPUGIM-XWSJACJDSA-N 2 1 284.447 3.006 20 0 CGADMP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647992135 392860400 /nfs/dbraw/zinc/86/04/00/392860400.db2.gz HLPRPNGONODPMS-QFBILLFUSA-N 2 1 298.405 3.309 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCCc1cncn1C ZINC000519648927 392877968 /nfs/dbraw/zinc/87/79/68/392877968.db2.gz RYFHNANTUJOFTJ-GDBMZVCRSA-N 2 1 263.429 3.253 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCc1c[nH+]cn1C ZINC000519648927 392877973 /nfs/dbraw/zinc/87/79/73/392877973.db2.gz RYFHNANTUJOFTJ-GDBMZVCRSA-N 2 1 263.429 3.253 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCCc1c[nH+]cn1C ZINC000519648927 392877983 /nfs/dbraw/zinc/87/79/83/392877983.db2.gz RYFHNANTUJOFTJ-GDBMZVCRSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338780580 392927013 /nfs/dbraw/zinc/92/70/13/392927013.db2.gz ZCJKZKLNWHXJLH-QKGUJMCYSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338780580 392927023 /nfs/dbraw/zinc/92/70/23/392927023.db2.gz ZCJKZKLNWHXJLH-QKGUJMCYSA-N 2 1 272.436 3.251 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340258797 392968560 /nfs/dbraw/zinc/96/85/60/392968560.db2.gz UWZJMWIQUUVADK-OKZBNKHCSA-N 2 1 290.451 3.083 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000340258797 392968566 /nfs/dbraw/zinc/96/85/66/392968566.db2.gz UWZJMWIQUUVADK-OKZBNKHCSA-N 2 1 290.451 3.083 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000559269725 542757553 /nfs/dbraw/zinc/75/75/53/542757553.db2.gz MVSDUVDUGXSPCY-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000570760684 542761779 /nfs/dbraw/zinc/76/17/79/542761779.db2.gz NJNROOMMPHJMCU-OAUYIBNBSA-N 2 1 285.391 3.009 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969364 392989097 /nfs/dbraw/zinc/98/90/97/392989097.db2.gz VJLFLMJEMLEPAO-ZIAGYGMSSA-N 2 1 278.399 3.426 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000216091032 392989147 /nfs/dbraw/zinc/98/91/47/392989147.db2.gz JWEBZHUVLNADNC-OWCLPIDISA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc2c(c1)CCC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000648410341 393004372 /nfs/dbraw/zinc/00/43/72/393004372.db2.gz ZWPJTXSTGZWSHG-SFHVURJKSA-N 2 1 284.447 3.150 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648413265 393004419 /nfs/dbraw/zinc/00/44/19/393004419.db2.gz PMWOCLCHTRJBEQ-HNAYVOBHSA-N 2 1 297.446 3.365 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000221922932 393007508 /nfs/dbraw/zinc/00/75/08/393007508.db2.gz NQYZOFQTPZRAEU-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC[N@H+]2C1 ZINC000226869610 393015486 /nfs/dbraw/zinc/01/54/86/393015486.db2.gz CCDYGIJDJUPNKJ-ZACQAIPSSA-N 2 1 292.467 3.085 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227531642 393015781 /nfs/dbraw/zinc/01/57/81/393015781.db2.gz ZHPFUYQPLORXAM-ZFWWWQNUSA-N 2 1 285.435 3.059 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227531642 393015789 /nfs/dbraw/zinc/01/57/89/393015789.db2.gz ZHPFUYQPLORXAM-ZFWWWQNUSA-N 2 1 285.435 3.059 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346849179 393096391 /nfs/dbraw/zinc/09/63/91/393096391.db2.gz RSVOWTRQOASZDP-GDBMZVCRSA-N 2 1 250.430 3.031 20 0 CGADMP CC1CCC([N@@H+](C[C@H]2CCCO2)C[C@H]2CCC[NH2+]C2)CC1 ZINC000347001755 393098539 /nfs/dbraw/zinc/09/85/39/393098539.db2.gz HSNZXVYCSUDGQZ-JYSRZZCRSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000414193780 393044093 /nfs/dbraw/zinc/04/40/93/393044093.db2.gz UVKLIHZAOBFUJJ-DZJNRPSUSA-N 2 1 286.463 3.499 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000648566530 393105816 /nfs/dbraw/zinc/10/58/16/393105816.db2.gz WSCYUIFWQXKWQH-CGTJXYLNSA-N 2 1 294.483 3.331 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCCC23CCCCC3)CC[NH2+]1 ZINC000414736976 393052551 /nfs/dbraw/zinc/05/25/51/393052551.db2.gz GYACSVIHVTWQNO-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415037654 393106353 /nfs/dbraw/zinc/10/63/53/393106353.db2.gz GZRQIWSKJRDULV-SJLPKXTDSA-N 2 1 288.435 3.049 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000414835124 393056375 /nfs/dbraw/zinc/05/63/75/393056375.db2.gz HBUULRSNPNCECS-CQSZACIVSA-N 2 1 266.454 3.262 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000246376862 393057019 /nfs/dbraw/zinc/05/70/19/393057019.db2.gz JURMZCLMZVZVLJ-SOUVJXGZSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414952732 393061027 /nfs/dbraw/zinc/06/10/27/393061027.db2.gz IVBYJVYHTMBTDP-NOZJJQNGSA-N 2 1 273.207 3.081 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000414961404 393067884 /nfs/dbraw/zinc/06/78/84/393067884.db2.gz VTTPFGJTEOWIDS-NHYWBVRUSA-N 2 1 284.806 3.142 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057501 393119992 /nfs/dbraw/zinc/11/99/92/393119992.db2.gz UPPWAJRJPIPEAY-PBHICJAKSA-N 2 1 284.403 3.397 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251702574 393120203 /nfs/dbraw/zinc/12/02/03/393120203.db2.gz OEWXPBDYBFGQLX-QJPTWQEYSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251702574 393120206 /nfs/dbraw/zinc/12/02/06/393120206.db2.gz OEWXPBDYBFGQLX-QJPTWQEYSA-N 2 1 268.351 3.085 20 0 CGADMP Clc1ccsc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415059547 393121526 /nfs/dbraw/zinc/12/15/26/393121526.db2.gz XDNFGNSNHPFADG-AAEUAGOBSA-N 2 1 284.856 3.366 20 0 CGADMP Clc1ccsc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415059547 393121531 /nfs/dbraw/zinc/12/15/31/393121531.db2.gz XDNFGNSNHPFADG-AAEUAGOBSA-N 2 1 284.856 3.366 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415061524 393121939 /nfs/dbraw/zinc/12/19/39/393121939.db2.gz CVVJEOZGMUNUGA-RHSMWYFYSA-N 2 1 260.425 3.033 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC(C)(C)C1 ZINC000252674098 393125712 /nfs/dbraw/zinc/12/57/12/393125712.db2.gz OSJKIPMXQHZNPH-UGUYLWEFSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261548031 393140672 /nfs/dbraw/zinc/14/06/72/393140672.db2.gz IZNBBYNWASVMRF-BXUZGUMPSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261548031 393140677 /nfs/dbraw/zinc/14/06/77/393140677.db2.gz IZNBBYNWASVMRF-BXUZGUMPSA-N 2 1 252.789 3.072 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCSc2ccccc21 ZINC000415095915 393142838 /nfs/dbraw/zinc/14/28/38/393142838.db2.gz AAUMVAOTLKMQMQ-GXTWGEPZSA-N 2 1 264.438 3.187 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415119690 393150672 /nfs/dbraw/zinc/15/06/72/393150672.db2.gz ZNXGCJXTKVHZPM-RBSFLKMASA-N 2 1 276.424 3.185 20 0 CGADMP C[C@@]1(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)CC[NH2+]C1 ZINC000415124121 393150873 /nfs/dbraw/zinc/15/08/73/393150873.db2.gz NXLDSDJAFLQTNJ-QZTJIDSGSA-N 2 1 284.447 3.256 20 0 CGADMP COc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000353652196 393230198 /nfs/dbraw/zinc/23/01/98/393230198.db2.gz IGUOTLNCEDRYJU-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000353652196 393230205 /nfs/dbraw/zinc/23/02/05/393230205.db2.gz IGUOTLNCEDRYJU-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000353652196 393230208 /nfs/dbraw/zinc/23/02/08/393230208.db2.gz IGUOTLNCEDRYJU-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000353652196 393230214 /nfs/dbraw/zinc/23/02/14/393230214.db2.gz IGUOTLNCEDRYJU-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000353652196 393230219 /nfs/dbraw/zinc/23/02/19/393230219.db2.gz IGUOTLNCEDRYJU-KRWDZBQOSA-N 2 1 290.451 3.310 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(C)(C)C ZINC000646243258 393245811 /nfs/dbraw/zinc/24/58/11/393245811.db2.gz QCIFJLAPDQGNGY-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C(C)(C)C ZINC000646243258 393245817 /nfs/dbraw/zinc/24/58/17/393245817.db2.gz QCIFJLAPDQGNGY-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C(C)(C)C ZINC000646243258 393245821 /nfs/dbraw/zinc/24/58/21/393245821.db2.gz QCIFJLAPDQGNGY-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000268857975 393206547 /nfs/dbraw/zinc/20/65/47/393206547.db2.gz ZTAMCSDRTGXWHR-QGZVFWFLSA-N 2 1 289.398 3.188 20 0 CGADMP COCCCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000355280174 393288983 /nfs/dbraw/zinc/28/89/83/393288983.db2.gz MGMXJXIHCSLXNJ-SFHVURJKSA-N 2 1 290.451 3.228 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2c1C ZINC000472058740 393329663 /nfs/dbraw/zinc/32/96/63/393329663.db2.gz QZCYTXVYIMKSJX-OAHLLOKOSA-N 2 1 297.446 3.359 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H](C)C2 ZINC000272587511 393262896 /nfs/dbraw/zinc/26/28/96/393262896.db2.gz HKSPYOXXRYIBJL-KBXCAEBGSA-N 2 1 270.420 3.080 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000647216271 393393578 /nfs/dbraw/zinc/39/35/78/393393578.db2.gz AZRUMDMERNXPDB-UHFFFAOYSA-N 2 1 260.372 3.028 20 0 CGADMP CC(C)C[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000355912982 393345743 /nfs/dbraw/zinc/34/57/43/393345743.db2.gz MJSYPYVNHSBCDV-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CSC1(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000356181925 393370177 /nfs/dbraw/zinc/37/01/77/393370177.db2.gz CLVYFHUGSCCLRT-HNNXBMFYSA-N 2 1 284.513 3.374 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647280021 393422141 /nfs/dbraw/zinc/42/21/41/393422141.db2.gz NUCVEXRTIYORQC-KRWDZBQOSA-N 2 1 277.456 3.490 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000481990526 393438818 /nfs/dbraw/zinc/43/88/18/393438818.db2.gz JLZHDENEDMFROO-VBYGDGQVSA-N 2 1 266.473 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000484293424 393445152 /nfs/dbraw/zinc/44/51/52/393445152.db2.gz KTRWEYCRCTYVNH-MQYQWHSLSA-N 2 1 292.389 3.285 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000484478743 393445466 /nfs/dbraw/zinc/44/54/66/393445466.db2.gz FFLUJFITNCATLX-XJFOESAGSA-N 2 1 292.389 3.427 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420294152 393451973 /nfs/dbraw/zinc/45/19/73/393451973.db2.gz ARTNRDXSIILVSL-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CC(C)C)C(C)C)cc1 ZINC000420298685 393453418 /nfs/dbraw/zinc/45/34/18/393453418.db2.gz FREQDSOODGCAOY-MRXNPFEDSA-N 2 1 278.440 3.104 20 0 CGADMP c1ccc(SC[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420295992 393453911 /nfs/dbraw/zinc/45/39/11/393453911.db2.gz CUJYLYKKRNKZPY-JKSUJKDBSA-N 2 1 290.476 3.100 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420296070 393454064 /nfs/dbraw/zinc/45/40/64/393454064.db2.gz CZGXMRQRNRWGJW-WMZOPIPTSA-N 2 1 272.436 3.040 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000488296558 393482474 /nfs/dbraw/zinc/48/24/74/393482474.db2.gz JTNWNXQYMKPDAC-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000488296558 393482478 /nfs/dbraw/zinc/48/24/78/393482478.db2.gz JTNWNXQYMKPDAC-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000488296558 393482485 /nfs/dbraw/zinc/48/24/85/393482485.db2.gz JTNWNXQYMKPDAC-QBPKDAKJSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420300064 393456222 /nfs/dbraw/zinc/45/62/22/393456222.db2.gz HALLWOCRRLHOBL-TZMCWYRMSA-N 2 1 264.438 3.057 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000420317064 393463599 /nfs/dbraw/zinc/46/35/99/393463599.db2.gz MXNLIRXWOYYLMG-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325572 393467233 /nfs/dbraw/zinc/46/72/33/393467233.db2.gz IVQSFYLECSOTET-GJZGRUSLSA-N 2 1 290.476 3.230 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330575 393469346 /nfs/dbraw/zinc/46/93/46/393469346.db2.gz QEIHQPSHFQYEPK-FVQBIDKESA-N 2 1 276.399 3.208 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330579 393469635 /nfs/dbraw/zinc/46/96/35/393469635.db2.gz QEIHQPSHFQYEPK-VNQPRFMTSA-N 2 1 276.399 3.208 20 0 CGADMP Clc1cccc2c1CC[C@H]2[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420339678 393470309 /nfs/dbraw/zinc/47/03/09/393470309.db2.gz OTOWTJIXHQNKKG-IIYDPXPESA-N 2 1 290.838 3.259 20 0 CGADMP c1ccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420332525 393470665 /nfs/dbraw/zinc/47/06/65/393470665.db2.gz RTZNARIDCZMHGT-HZPDHXFCSA-N 2 1 290.476 3.100 20 0 CGADMP COC1(C[C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000429507971 393472301 /nfs/dbraw/zinc/47/23/01/393472301.db2.gz ASQVKXXDJCYBKW-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420359811 393474300 /nfs/dbraw/zinc/47/43/00/393474300.db2.gz KVRNGFQTQBDRLN-SJLPKXTDSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420365514 393474787 /nfs/dbraw/zinc/47/47/87/393474787.db2.gz LFLFTYSZZNGQMV-DJIMGWMZSA-N 2 1 282.472 3.079 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCCc1ccsc1)C1CCCCC1 ZINC000420379686 393478211 /nfs/dbraw/zinc/47/82/11/393478211.db2.gz XYHIMZPTPRKISN-HNNXBMFYSA-N 2 1 266.454 3.178 20 0 CGADMP [NH3+]CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000420377506 393478254 /nfs/dbraw/zinc/47/82/54/393478254.db2.gz SDACVHSQXOAULM-INIZCTEOSA-N 2 1 274.795 3.172 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000420412746 393486794 /nfs/dbraw/zinc/48/67/94/393486794.db2.gz SPTHZGQJDQWAON-MRRJBJDNSA-N 2 1 276.399 3.120 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2C[C@@H]2C)C1 ZINC000488465029 393523688 /nfs/dbraw/zinc/52/36/88/393523688.db2.gz UAYKEWSDRMYYEQ-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2C[C@@H]2C)C1 ZINC000488465029 393523693 /nfs/dbraw/zinc/52/36/93/393523693.db2.gz UAYKEWSDRMYYEQ-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C1CC([NH2+][C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000488490917 393527219 /nfs/dbraw/zinc/52/72/19/393527219.db2.gz VDKHYKRCQABUBA-FHERZECASA-N 2 1 252.446 3.275 20 0 CGADMP CC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000359033245 393533178 /nfs/dbraw/zinc/53/31/78/393533178.db2.gz HMYCQOJHYBKJEX-PWUWZPNHSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420996685 393568497 /nfs/dbraw/zinc/56/84/97/393568497.db2.gz QUZOUCPNFQHAJG-CQSZACIVSA-N 2 1 279.334 3.178 20 0 CGADMP C[N@@H+](Cc1ccccc1Oc1cccnc1)CC(C)(C)C[NH3+] ZINC000430587941 393578121 /nfs/dbraw/zinc/57/81/21/393578121.db2.gz BPFULHZVURZNEM-UHFFFAOYSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430579235 393578204 /nfs/dbraw/zinc/57/82/04/393578204.db2.gz YHQHKWVGCDAWRQ-UONOGXRCSA-N 2 1 296.842 3.168 20 0 CGADMP C[C@](C[NH3+])([NH2+]Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000430565630 393575955 /nfs/dbraw/zinc/57/59/55/393575955.db2.gz APADPCYWGYYEQY-CYBMUJFWSA-N 2 1 273.207 3.210 20 0 CGADMP Clc1ccc2cccnc2c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856544 542820844 /nfs/dbraw/zinc/82/08/44/542820844.db2.gz ONAJOXFQQDMMGJ-ZDUSSCGKSA-N 2 1 289.810 3.120 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421319205 393603563 /nfs/dbraw/zinc/60/35/63/393603563.db2.gz LBBDZBBEHCPTBX-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421319205 393603567 /nfs/dbraw/zinc/60/35/67/393603567.db2.gz LBBDZBBEHCPTBX-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421319205 393603571 /nfs/dbraw/zinc/60/35/71/393603571.db2.gz LBBDZBBEHCPTBX-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421319205 393603574 /nfs/dbraw/zinc/60/35/74/393603574.db2.gz LBBDZBBEHCPTBX-INIZCTEOSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1nn(C(C)C)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000360964546 393626108 /nfs/dbraw/zinc/62/61/08/393626108.db2.gz ULHVBDOYTVLAJE-UHFFFAOYSA-N 2 1 292.471 3.171 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)[NH+]1CCCC1 ZINC000360998317 393634519 /nfs/dbraw/zinc/63/45/19/393634519.db2.gz PEQSOJZMRSGUJI-BZUAXINKSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423259700 393655855 /nfs/dbraw/zinc/65/58/55/393655855.db2.gz FQEBDXVQUIJPLU-AAEUAGOBSA-N 2 1 266.454 3.261 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C[NH3+])C1CC1)CCS2 ZINC000423267586 393657822 /nfs/dbraw/zinc/65/78/22/393657822.db2.gz CTQHFFXHHNGGDL-HUUCEWRRSA-N 2 1 276.449 3.167 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CC(C)(C)C ZINC000443204840 393748629 /nfs/dbraw/zinc/74/86/29/393748629.db2.gz QVNDSXCJNZYOJZ-QLFBSQMISA-N 2 1 254.462 3.379 20 0 CGADMP Cc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000443433051 393757542 /nfs/dbraw/zinc/75/75/42/393757542.db2.gz UUMCCZLKEDVHTI-GJZGRUSLSA-N 2 1 281.403 3.004 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000494927192 393777134 /nfs/dbraw/zinc/77/71/34/393777134.db2.gz YWNTUSFPINDTNZ-ZHCJQAHYSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444592064 393790247 /nfs/dbraw/zinc/79/02/47/393790247.db2.gz FREXRLIMVZYSHN-CVEARBPZSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@H+](CCCc1cccc(F)c1)CCC[NH+]1CCCC1 ZINC000499948587 393812071 /nfs/dbraw/zinc/81/20/71/393812071.db2.gz CBBCLNFRLHHMEU-UHFFFAOYSA-N 2 1 278.415 3.176 20 0 CGADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)SC1CCCCC1 ZINC000500102514 393817389 /nfs/dbraw/zinc/81/73/89/393817389.db2.gz DBQYVFVUHYIRAC-MRXNPFEDSA-N 2 1 296.524 3.470 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000502425493 393875019 /nfs/dbraw/zinc/87/50/19/393875019.db2.gz CSMNOGVVTJWFSZ-RCCFBDPRSA-N 2 1 294.483 3.046 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000502425493 393875022 /nfs/dbraw/zinc/87/50/22/393875022.db2.gz CSMNOGVVTJWFSZ-RCCFBDPRSA-N 2 1 294.483 3.046 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000502700502 393882563 /nfs/dbraw/zinc/88/25/63/393882563.db2.gz WTMVYZVMPIDPLN-VSZNYVQBSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560450 393903841 /nfs/dbraw/zinc/90/38/41/393903841.db2.gz LIOFWKINIQNFDD-FVPDABNVSA-N 2 1 252.446 3.416 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc2cn1 ZINC000666969005 542830984 /nfs/dbraw/zinc/83/09/84/542830984.db2.gz UKRFSHJPKXBVGP-RBUKOAKNSA-N 2 1 295.430 3.199 20 0 CGADMP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1Cl ZINC000666998509 542834536 /nfs/dbraw/zinc/83/45/36/542834536.db2.gz XRBJRBDGYPRLRU-GFCCVEGCSA-N 2 1 282.790 3.243 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555352 394016766 /nfs/dbraw/zinc/01/67/66/394016766.db2.gz AQXQUBODERRPOP-HOCLYGCPSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555352 394016770 /nfs/dbraw/zinc/01/67/70/394016770.db2.gz AQXQUBODERRPOP-HOCLYGCPSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555352 394016774 /nfs/dbraw/zinc/01/67/74/394016774.db2.gz AQXQUBODERRPOP-HOCLYGCPSA-N 2 1 250.430 3.149 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453091235 394167728 /nfs/dbraw/zinc/16/77/28/394167728.db2.gz QVTDUJLCDMANCG-RISCZKNCSA-N 2 1 275.421 3.481 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCC1 ZINC000453224879 394210894 /nfs/dbraw/zinc/21/08/94/394210894.db2.gz XEKPTYZMDQXPCY-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCC1 ZINC000453224879 394210899 /nfs/dbraw/zinc/21/08/99/394210899.db2.gz XEKPTYZMDQXPCY-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1C ZINC000453609040 394257418 /nfs/dbraw/zinc/25/74/18/394257418.db2.gz ZNBCINPUXFMIIJ-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453395338 394230470 /nfs/dbraw/zinc/23/04/70/394230470.db2.gz HTWAVCABKKLNMV-YJBOKZPZSA-N 2 1 290.451 3.227 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cnn1C(C)C ZINC000453407476 394236874 /nfs/dbraw/zinc/23/68/74/394236874.db2.gz RXXFEJNYAGPTMR-CQSZACIVSA-N 2 1 292.471 3.297 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC[N@@H+]1C ZINC000453424067 394242825 /nfs/dbraw/zinc/24/28/25/394242825.db2.gz MXLWBWAXRHPVFE-GBJTYRQASA-N 2 1 294.464 3.041 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC[N@H+]1C ZINC000453424067 394242827 /nfs/dbraw/zinc/24/28/27/394242827.db2.gz MXLWBWAXRHPVFE-GBJTYRQASA-N 2 1 294.464 3.041 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)[nH]c2c1 ZINC000667517854 542883114 /nfs/dbraw/zinc/88/31/14/542883114.db2.gz HPMGSRPHCLABNR-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)[nH]c2c1 ZINC000667517854 542883116 /nfs/dbraw/zinc/88/31/16/542883116.db2.gz HPMGSRPHCLABNR-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1ccc2cc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)[nH]c2c1 ZINC000667517854 542883119 /nfs/dbraw/zinc/88/31/19/542883119.db2.gz HPMGSRPHCLABNR-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1ccc2cc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)[nH]c2c1 ZINC000667517854 542883121 /nfs/dbraw/zinc/88/31/21/542883121.db2.gz HPMGSRPHCLABNR-OAHLLOKOSA-N 2 1 285.435 3.250 20 0 CGADMP CC[C@@]1(C)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667645548 542904300 /nfs/dbraw/zinc/90/43/00/542904300.db2.gz SLCKQLMCAWZDNF-KRWDZBQOSA-N 2 1 284.407 3.279 20 0 CGADMP CC[C@@]1(C)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667645548 542904302 /nfs/dbraw/zinc/90/43/02/542904302.db2.gz SLCKQLMCAWZDNF-KRWDZBQOSA-N 2 1 284.407 3.279 20 0 CGADMP c1cc(C[N@@H+]2CCC3(C2)CCCCC3)n(-c2cc[nH+]cc2)n1 ZINC000667670444 542911968 /nfs/dbraw/zinc/91/19/68/542911968.db2.gz OTTUFIXKIGEVJY-UHFFFAOYSA-N 2 1 296.418 3.424 20 0 CGADMP c1cc(C[N@H+]2CCC3(C2)CCCCC3)n(-c2cc[nH+]cc2)n1 ZINC000667670444 542911971 /nfs/dbraw/zinc/91/19/71/542911971.db2.gz OTTUFIXKIGEVJY-UHFFFAOYSA-N 2 1 296.418 3.424 20 0 CGADMP C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)C1 ZINC000667695116 542919358 /nfs/dbraw/zinc/91/93/58/542919358.db2.gz KDQISFNFGISVCY-LSDHHAIUSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)C1 ZINC000667695116 542919361 /nfs/dbraw/zinc/91/93/61/542919361.db2.gz KDQISFNFGISVCY-LSDHHAIUSA-N 2 1 284.407 3.135 20 0 CGADMP Cc1ccc2cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000667705526 542920141 /nfs/dbraw/zinc/92/01/41/542920141.db2.gz FUYQUSKACWIHSJ-QFBILLFUSA-N 2 1 297.446 3.392 20 0 CGADMP CC(C)[C@H]1[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12CCC2 ZINC000668184605 542984148 /nfs/dbraw/zinc/98/41/48/542984148.db2.gz KPWKHKFCKAXHKK-QGZVFWFLSA-N 2 1 296.418 3.278 20 0 CGADMP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000668459442 543014983 /nfs/dbraw/zinc/01/49/83/543014983.db2.gz UTKLDFPYYYRXCB-MRXNPFEDSA-N 2 1 290.451 3.308 20 0 CGADMP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000668459442 543014986 /nfs/dbraw/zinc/01/49/86/543014986.db2.gz UTKLDFPYYYRXCB-MRXNPFEDSA-N 2 1 290.451 3.308 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000549845502 289056371 /nfs/dbraw/zinc/05/63/71/289056371.db2.gz LTJWAMZQRHKDTH-HUUCEWRRSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000668748370 543055585 /nfs/dbraw/zinc/05/55/85/543055585.db2.gz VCHPTHGGMMGEQB-ZDUSSCGKSA-N 2 1 268.470 3.389 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000668748370 543055587 /nfs/dbraw/zinc/05/55/87/543055587.db2.gz VCHPTHGGMMGEQB-ZDUSSCGKSA-N 2 1 268.470 3.389 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000670267337 543148752 /nfs/dbraw/zinc/14/87/52/543148752.db2.gz AKAQPBZPWAZUBP-CYBMUJFWSA-N 2 1 251.418 3.244 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)(C)c1ccccc1 ZINC000671246814 543165489 /nfs/dbraw/zinc/16/54/89/543165489.db2.gz OMMJMVVFXFVWLO-INIZCTEOSA-N 2 1 260.425 3.338 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)(C)c1ccccc1 ZINC000671246814 543165490 /nfs/dbraw/zinc/16/54/90/543165490.db2.gz OMMJMVVFXFVWLO-INIZCTEOSA-N 2 1 260.425 3.338 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000671246814 543165493 /nfs/dbraw/zinc/16/54/93/543165493.db2.gz OMMJMVVFXFVWLO-INIZCTEOSA-N 2 1 260.425 3.338 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[C@H]1C(C)C)[NH+]1CCCC1 ZINC000671740320 543184360 /nfs/dbraw/zinc/18/43/60/543184360.db2.gz KGQWJNLZQBUSAB-JYJNAYRXSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000674049758 543265526 /nfs/dbraw/zinc/26/55/26/543265526.db2.gz ZBAZWFWZVJJFJF-QAPCUYQASA-N 2 1 294.483 3.188 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916239 397609929 /nfs/dbraw/zinc/60/99/29/397609929.db2.gz ASQRGZWJYMNDCI-RDJZCZTQSA-N 2 1 288.435 3.049 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916239 397609931 /nfs/dbraw/zinc/60/99/31/397609931.db2.gz ASQRGZWJYMNDCI-RDJZCZTQSA-N 2 1 288.435 3.049 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070977952 397639260 /nfs/dbraw/zinc/63/92/60/397639260.db2.gz QNGICDKYBXKUGN-LZWOXQAQSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C)CC[C@H]1[NH3+] ZINC000300417009 397673388 /nfs/dbraw/zinc/67/33/88/397673388.db2.gz GMWBAAMVCKYQDZ-IUODEOHRSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C)CC[C@H]1[NH3+] ZINC000300417009 397673390 /nfs/dbraw/zinc/67/33/90/397673390.db2.gz GMWBAAMVCKYQDZ-IUODEOHRSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c3ccccc23)CC[C@@H]1[NH3+] ZINC000387515893 397690442 /nfs/dbraw/zinc/69/04/42/397690442.db2.gz OVJNUUUDAUHQGX-KDOFPFPSSA-N 2 1 298.430 3.408 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429514855 292126853 /nfs/dbraw/zinc/12/68/53/292126853.db2.gz MPTVPEOABHJRKQ-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429514855 292126854 /nfs/dbraw/zinc/12/68/54/292126854.db2.gz MPTVPEOABHJRKQ-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708871 397898073 /nfs/dbraw/zinc/89/80/73/397898073.db2.gz RNYRXVBSQQBXBV-WMZOPIPTSA-N 2 1 288.435 3.035 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC000650707626 397898080 /nfs/dbraw/zinc/89/80/80/397898080.db2.gz JVPPEMHSTWSBAV-KZNAEPCWSA-N 2 1 294.483 3.175 20 0 CGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000650711112 397898846 /nfs/dbraw/zinc/89/88/46/397898846.db2.gz IWOLWWCTAHFMOT-DZGCQCFKSA-N 2 1 295.496 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1CC[NH3+] ZINC000650711968 397899320 /nfs/dbraw/zinc/89/93/20/397899320.db2.gz LDALYAPEMOAZMM-LEUOFYLZSA-N 2 1 272.436 3.239 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000650720016 397902205 /nfs/dbraw/zinc/90/22/05/397902205.db2.gz CAJMPSLXKJGFMH-SFHVURJKSA-N 2 1 286.419 3.481 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650724871 397902593 /nfs/dbraw/zinc/90/25/93/397902593.db2.gz NVDCJFRCJUCVJJ-ICUGJSFKSA-N 2 1 294.483 3.174 20 0 CGADMP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)N2 ZINC000650761396 397911861 /nfs/dbraw/zinc/91/18/61/397911861.db2.gz ZBLPMCQKNXOPKT-KURKYZTESA-N 2 1 299.462 3.020 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000675732908 543358346 /nfs/dbraw/zinc/35/83/46/543358346.db2.gz NPNQNVCSXZCFNO-AEFFLSMTSA-N 2 1 274.452 3.308 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000675883477 543370245 /nfs/dbraw/zinc/37/02/45/543370245.db2.gz CGMCIGHVUVXMJE-BBWFWOEESA-N 2 1 298.515 3.395 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000676211695 543386998 /nfs/dbraw/zinc/38/69/98/543386998.db2.gz MWHFUJZCTSBYFG-LSDHHAIUSA-N 2 1 299.462 3.345 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000676211695 543387000 /nfs/dbraw/zinc/38/70/00/543387000.db2.gz MWHFUJZCTSBYFG-LSDHHAIUSA-N 2 1 299.462 3.345 20 0 CGADMP CC(C)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678132741 543486860 /nfs/dbraw/zinc/48/68/60/543486860.db2.gz MXNKISDAPGKUCX-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP C[C@H]([N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)C(C)(C)C ZINC000678154109 543489197 /nfs/dbraw/zinc/48/91/97/543489197.db2.gz ZIRUCPKPCWRPKG-HNNXBMFYSA-N 2 1 292.467 3.493 20 0 CGADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CCCC1 ZINC000247093585 286050295 /nfs/dbraw/zinc/05/02/95/286050295.db2.gz OFLMHVSJKGFYTG-IRXDYDNUSA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000678605554 543543500 /nfs/dbraw/zinc/54/35/00/543543500.db2.gz QGQNSTOHVZFKJU-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554049838 289253431 /nfs/dbraw/zinc/25/34/31/289253431.db2.gz CVSCYVGOVUIRAY-HZPDHXFCSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554049838 289253434 /nfs/dbraw/zinc/25/34/34/289253434.db2.gz CVSCYVGOVUIRAY-HZPDHXFCSA-N 2 1 250.430 3.029 20 0 CGADMP COCC1CCC([NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000449095887 292266098 /nfs/dbraw/zinc/26/60/98/292266098.db2.gz CGYJMNSMOIXSJB-VBWXLCSBSA-N 2 1 296.499 3.148 20 0 CGADMP COCC1CCC([NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000449095887 292266100 /nfs/dbraw/zinc/26/61/00/292266100.db2.gz CGYJMNSMOIXSJB-VBWXLCSBSA-N 2 1 296.499 3.148 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000420304255 286372343 /nfs/dbraw/zinc/37/23/43/286372343.db2.gz LJNNLRQLXTVARW-NUJGCVRESA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000272035615 286375595 /nfs/dbraw/zinc/37/55/95/286375595.db2.gz NVJLEEVFOVXUMK-FUHWJXTLSA-N 2 1 288.435 3.220 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261985315 286393673 /nfs/dbraw/zinc/39/36/73/286393673.db2.gz JRMXENBKVYKHII-MSOLQXFVSA-N 2 1 288.435 3.004 20 0 CGADMP c1coc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000069673433 286984452 /nfs/dbraw/zinc/98/44/52/286984452.db2.gz AZTUAQWUPBSZJB-UHFFFAOYSA-N 2 1 270.376 3.165 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)(C)C ZINC000089594406 287018742 /nfs/dbraw/zinc/01/87/42/287018742.db2.gz YAYJMQMUXUYPSO-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)C1CCCCCC1 ZINC000423489506 287033315 /nfs/dbraw/zinc/03/33/15/287033315.db2.gz XGVVMMQSNINEGS-OCCSQVGLSA-N 2 1 274.399 3.180 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000088296651 287086105 /nfs/dbraw/zinc/08/61/05/287086105.db2.gz ZAFPOATWGBATKZ-GOSISDBHSA-N 2 1 274.452 3.317 20 0 CGADMP CC(C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000070280637 165060159 /nfs/dbraw/zinc/06/01/59/165060159.db2.gz SIZOWXQJWZXVOO-JSGCOSHPSA-N 2 1 252.427 3.129 20 0 CGADMP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000070280637 165060160 /nfs/dbraw/zinc/06/01/60/165060160.db2.gz SIZOWXQJWZXVOO-JSGCOSHPSA-N 2 1 252.427 3.129 20 0 CGADMP CCSCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000078031293 165126125 /nfs/dbraw/zinc/12/61/25/165126125.db2.gz ZHIRYEXFYZZHGN-MRXNPFEDSA-N 2 1 284.513 3.328 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C)[C@H](C)C1 ZINC000081096944 165162129 /nfs/dbraw/zinc/16/21/29/165162129.db2.gz QSTYGVKIHKERKG-WBVHZDCISA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C)[C@H](C)C1 ZINC000081096944 165162136 /nfs/dbraw/zinc/16/21/36/165162136.db2.gz QSTYGVKIHKERKG-WBVHZDCISA-N 2 1 260.425 3.157 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000091957374 165277456 /nfs/dbraw/zinc/27/74/56/165277456.db2.gz SOVQROBWRDGQRM-FPMFFAJLSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000091957374 165277459 /nfs/dbraw/zinc/27/74/59/165277459.db2.gz SOVQROBWRDGQRM-FPMFFAJLSA-N 2 1 280.362 3.242 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376675273 287107955 /nfs/dbraw/zinc/10/79/55/287107955.db2.gz XYSZENXFSNATSV-QEOTZNIISA-N 2 1 264.457 3.418 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cccnc1 ZINC000092745496 165313585 /nfs/dbraw/zinc/31/35/85/165313585.db2.gz MIQRRYQCKTZHKF-OAHLLOKOSA-N 2 1 263.429 3.244 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000094622373 165352914 /nfs/dbraw/zinc/35/29/14/165352914.db2.gz ZATLLMKRLHCMLY-UHFFFAOYSA-N 2 1 268.351 3.058 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000094622373 165352918 /nfs/dbraw/zinc/35/29/18/165352918.db2.gz ZATLLMKRLHCMLY-UHFFFAOYSA-N 2 1 268.351 3.058 20 0 CGADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc(C2CC2)c1 ZINC000094518622 165353765 /nfs/dbraw/zinc/35/37/65/165353765.db2.gz QKIRQRNQQHKOCM-ZWKOTPCHSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc(C2CC2)c1 ZINC000094518622 165353770 /nfs/dbraw/zinc/35/37/70/165353770.db2.gz QKIRQRNQQHKOCM-ZWKOTPCHSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(F)cc(F)c1 ZINC000094825951 165391512 /nfs/dbraw/zinc/39/15/12/165391512.db2.gz RFWHCPPACWKBQE-NSHDSACASA-N 2 1 270.367 3.203 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000093741975 287118615 /nfs/dbraw/zinc/11/86/15/287118615.db2.gz PAXRSIVEYHCAHN-HOTGVXAUSA-N 2 1 250.430 3.006 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000093741975 287118616 /nfs/dbraw/zinc/11/86/16/287118616.db2.gz PAXRSIVEYHCAHN-HOTGVXAUSA-N 2 1 250.430 3.006 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000093741975 287118617 /nfs/dbraw/zinc/11/86/17/287118617.db2.gz PAXRSIVEYHCAHN-HOTGVXAUSA-N 2 1 250.430 3.006 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000093693224 287118930 /nfs/dbraw/zinc/11/89/30/287118930.db2.gz CELNOESHCAMHFQ-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(C)(C)C)CC2)C[C@H](C)O1 ZINC000093844466 287119725 /nfs/dbraw/zinc/11/97/25/287119725.db2.gz HVDIKOGWKKFEIY-IYBDPMFKSA-N 2 1 296.499 3.244 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000093941744 287120577 /nfs/dbraw/zinc/12/05/77/287120577.db2.gz JHYMLDKUOVQMHO-CPUCHLNUSA-N 2 1 264.457 3.418 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000109787520 287129566 /nfs/dbraw/zinc/12/95/66/287129566.db2.gz NNJIBWWQDSRTJC-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@H](C[N@H+](C)CCC[NH+]1CCCCC1)c1nccs1 ZINC000119072061 287164623 /nfs/dbraw/zinc/16/46/23/287164623.db2.gz SUYDGJKKNNNOEY-CQSZACIVSA-N 2 1 281.469 3.054 20 0 CGADMP C[C@H](C[N@@H+](C)CCC[NH+]1CCCCC1)c1nccs1 ZINC000119072061 287164627 /nfs/dbraw/zinc/16/46/27/287164627.db2.gz SUYDGJKKNNNOEY-CQSZACIVSA-N 2 1 281.469 3.054 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)C[C@H](OC)c2ccccc2)CC1 ZINC000284335374 196032290 /nfs/dbraw/zinc/03/22/90/196032290.db2.gz JAAITBVRYMQCKU-SFHVURJKSA-N 2 1 290.451 3.180 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](OC)c2ccccc2)CC1 ZINC000284335374 196032292 /nfs/dbraw/zinc/03/22/92/196032292.db2.gz JAAITBVRYMQCKU-SFHVURJKSA-N 2 1 290.451 3.180 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCC[NH2+]C ZINC000124738415 287236503 /nfs/dbraw/zinc/23/65/03/287236503.db2.gz PKKSHIIDVLRZCW-AWEZNQCLSA-N 2 1 299.256 3.442 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000125644114 287248324 /nfs/dbraw/zinc/24/83/24/287248324.db2.gz BDJFYISGASVHNJ-CVEARBPZSA-N 2 1 292.471 3.237 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000125742259 287249781 /nfs/dbraw/zinc/24/97/81/287249781.db2.gz JPYVXXHJBVYNJN-DLBZAZTESA-N 2 1 264.457 3.300 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000020189852 171056544 /nfs/dbraw/zinc/05/65/44/171056544.db2.gz DBMCVNKZDOCWRX-GFCCVEGCSA-N 2 1 282.378 3.490 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)C1(C[NH3+])CCCCC1 ZINC000020226857 171091535 /nfs/dbraw/zinc/09/15/35/171091535.db2.gz VQUJNBAQPVYLHN-UHFFFAOYSA-N 2 1 266.816 3.433 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1(C[NH3+])CCCCC1 ZINC000020226857 171091538 /nfs/dbraw/zinc/09/15/38/171091538.db2.gz VQUJNBAQPVYLHN-UHFFFAOYSA-N 2 1 266.816 3.433 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000020439337 171203500 /nfs/dbraw/zinc/20/35/00/171203500.db2.gz WFRUYBFZSTXNNJ-CYBMUJFWSA-N 2 1 264.413 3.421 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000125974966 287254161 /nfs/dbraw/zinc/25/41/61/287254161.db2.gz OBYZWQJEVJJLQQ-HOCLYGCPSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000246467080 287268687 /nfs/dbraw/zinc/26/86/87/287268687.db2.gz KAHDOHGXOFXVEV-CABCVRRESA-N 2 1 282.472 3.187 20 0 CGADMP Cc1cc(C)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037408339 173184817 /nfs/dbraw/zinc/18/48/17/173184817.db2.gz QMZZBNCSNXQPDK-MRXNPFEDSA-N 2 1 272.436 3.186 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000037536878 173255592 /nfs/dbraw/zinc/25/55/92/173255592.db2.gz NJJBKTWHIXONEX-UHFFFAOYSA-N 2 1 260.425 3.168 20 0 CGADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000356980354 287282044 /nfs/dbraw/zinc/28/20/44/287282044.db2.gz SQWVECWDNDYYIQ-OKZBNKHCSA-N 2 1 294.483 3.142 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000038097944 174111877 /nfs/dbraw/zinc/11/18/77/174111877.db2.gz XQXRTMFQPIQIJF-AWEZNQCLSA-N 2 1 276.424 3.220 20 0 CGADMP CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000040493065 174293055 /nfs/dbraw/zinc/29/30/55/174293055.db2.gz DPYJMJNJHAGHGS-UHFFFAOYSA-N 2 1 274.452 3.329 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000040591723 174347063 /nfs/dbraw/zinc/34/70/63/174347063.db2.gz HYBFYFWHJXSPJP-MRXNPFEDSA-N 2 1 268.404 3.271 20 0 CGADMP C[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000043533851 175063076 /nfs/dbraw/zinc/06/30/76/175063076.db2.gz VPSLKSGFMKUMNZ-HNNXBMFYSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000071376728 176141442 /nfs/dbraw/zinc/14/14/42/176141442.db2.gz QOFWNLZVMGIHNL-HNNXBMFYSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000071376728 176141443 /nfs/dbraw/zinc/14/14/43/176141443.db2.gz QOFWNLZVMGIHNL-HNNXBMFYSA-N 2 1 290.451 3.177 20 0 CGADMP Clc1ccc2c(N[C@H]3CCC[NH2+]C3)cc[nH+]c2c1 ZINC000071397717 176151484 /nfs/dbraw/zinc/15/14/84/176151484.db2.gz VASODSQATBAKTA-NSHDSACASA-N 2 1 261.756 3.052 20 0 CGADMP CC[C@@H]1C[N@@H+](CCOc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000316770467 416539234 /nfs/dbraw/zinc/53/92/34/416539234.db2.gz DWIMGMLSWGXQBN-DNVCBOLYSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)[C@@H]1CC[NH3+] ZINC000404382753 416555368 /nfs/dbraw/zinc/55/53/68/416555368.db2.gz NDUBHOUNGPXMAT-HLLBOEOZSA-N 2 1 288.435 3.002 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)[C@H]1CC[NH3+] ZINC000404451824 416555675 /nfs/dbraw/zinc/55/56/75/416555675.db2.gz ZFHAYIWWIUBSCY-YOEHRIQHSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)[C@H]1CC[NH3+] ZINC000404451824 416555678 /nfs/dbraw/zinc/55/56/78/416555678.db2.gz ZFHAYIWWIUBSCY-YOEHRIQHSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000367056979 287347789 /nfs/dbraw/zinc/34/77/89/287347789.db2.gz DSAJVNCFJJWVEA-IAGOWNOFSA-N 2 1 294.483 3.047 20 0 CGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)n1 ZINC000679393909 543633264 /nfs/dbraw/zinc/63/32/64/543633264.db2.gz XQESEPPRDRHCMX-MRXNPFEDSA-N 2 1 297.402 3.030 20 0 CGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)[nH+]1 ZINC000679393909 543633270 /nfs/dbraw/zinc/63/32/70/543633270.db2.gz XQESEPPRDRHCMX-MRXNPFEDSA-N 2 1 297.402 3.030 20 0 CGADMP Oc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000682028667 543817403 /nfs/dbraw/zinc/81/74/03/543817403.db2.gz AQUQEXHPNMDUAR-SFHVURJKSA-N 2 1 288.435 3.405 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)CC[N@@H+]1C ZINC000682070648 543820081 /nfs/dbraw/zinc/82/00/81/543820081.db2.gz DWUFLMVHXNYTIL-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3[nH]2)CC[N@H+]1C ZINC000682070648 543820084 /nfs/dbraw/zinc/82/00/84/543820084.db2.gz DWUFLMVHXNYTIL-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)CC[NH+]1C ZINC000682070648 543820087 /nfs/dbraw/zinc/82/00/87/543820087.db2.gz DWUFLMVHXNYTIL-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)CC[NH+]1C ZINC000682070648 543820089 /nfs/dbraw/zinc/82/00/89/543820089.db2.gz DWUFLMVHXNYTIL-BBRMVZONSA-N 2 1 271.408 3.082 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCc2ccccc2)C[C@@H]1C ZINC000682078014 543822923 /nfs/dbraw/zinc/82/29/23/543822923.db2.gz UHTSWZRZVLCUMA-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCc2ccccc2)C[C@@H]1C ZINC000682078014 543822927 /nfs/dbraw/zinc/82/29/27/543822927.db2.gz UHTSWZRZVLCUMA-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCc2ccccc2)C[C@@H]1C ZINC000682078014 543822930 /nfs/dbraw/zinc/82/29/30/543822930.db2.gz UHTSWZRZVLCUMA-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(O)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000682406574 543841861 /nfs/dbraw/zinc/84/18/61/543841861.db2.gz HMWRAXPSZLQGIR-GOEBONIOSA-N 2 1 288.435 3.135 20 0 CGADMP CC(C)(C)OCCCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000682759660 543865340 /nfs/dbraw/zinc/86/53/40/543865340.db2.gz SFBUCOYLULCNOO-HNNXBMFYSA-N 2 1 279.428 3.115 20 0 CGADMP Cc1ccc(CCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cn1 ZINC000684360414 543985064 /nfs/dbraw/zinc/98/50/64/543985064.db2.gz FRPOVZSPZUKDOG-GOSISDBHSA-N 2 1 289.467 3.129 20 0 CGADMP Cc1ccc(CCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000684360414 543985066 /nfs/dbraw/zinc/98/50/66/543985066.db2.gz FRPOVZSPZUKDOG-GOSISDBHSA-N 2 1 289.467 3.129 20 0 CGADMP Cc1ccc(CCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000684360414 543985067 /nfs/dbraw/zinc/98/50/67/543985067.db2.gz FRPOVZSPZUKDOG-GOSISDBHSA-N 2 1 289.467 3.129 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000684369199 543987049 /nfs/dbraw/zinc/98/70/49/543987049.db2.gz JWCQSHHBOPJVGX-KURKYZTESA-N 2 1 296.499 3.290 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000685470456 544077213 /nfs/dbraw/zinc/07/72/13/544077213.db2.gz QRFMDHLONFOTEG-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000685470456 544077215 /nfs/dbraw/zinc/07/72/15/544077215.db2.gz QRFMDHLONFOTEG-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000685470456 544077217 /nfs/dbraw/zinc/07/72/17/544077217.db2.gz QRFMDHLONFOTEG-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000685470456 544077219 /nfs/dbraw/zinc/07/72/19/544077219.db2.gz QRFMDHLONFOTEG-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCc2cccnc21)C(C)(C)C ZINC000684956887 544044028 /nfs/dbraw/zinc/04/40/28/544044028.db2.gz KCXGVQAEZYZNCH-JKSUJKDBSA-N 2 1 289.467 3.415 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684955680 544044546 /nfs/dbraw/zinc/04/45/46/544044546.db2.gz SMWWUARLMASVDY-DOTOQJQBSA-N 2 1 287.451 3.169 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000684955680 544044548 /nfs/dbraw/zinc/04/45/48/544044548.db2.gz SMWWUARLMASVDY-DOTOQJQBSA-N 2 1 287.451 3.169 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1CCCc2cccnc21)[NH+]1CCCCC1 ZINC000684961361 544045967 /nfs/dbraw/zinc/04/59/67/544045967.db2.gz IAHGTYZCYRAABI-RDJZCZTQSA-N 2 1 287.451 3.313 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000685658283 544093391 /nfs/dbraw/zinc/09/33/91/544093391.db2.gz CIORAYBZFYMXFC-KBPBESRZSA-N 2 1 268.470 3.388 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000685658283 544093392 /nfs/dbraw/zinc/09/33/92/544093392.db2.gz CIORAYBZFYMXFC-KBPBESRZSA-N 2 1 268.470 3.388 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3F)CCC2)CC[N@H+]1C ZINC000652220594 418936978 /nfs/dbraw/zinc/93/69/78/418936978.db2.gz DSNYADPYAABXAS-HUUCEWRRSA-N 2 1 290.426 3.320 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000652221167 418937057 /nfs/dbraw/zinc/93/70/57/418937057.db2.gz SMUAPVNTZFHGMS-HNNXBMFYSA-N 2 1 278.440 3.324 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000652221167 418937060 /nfs/dbraw/zinc/93/70/60/418937060.db2.gz SMUAPVNTZFHGMS-HNNXBMFYSA-N 2 1 278.440 3.324 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000659859661 419016662 /nfs/dbraw/zinc/01/66/62/419016662.db2.gz LTTMRMJXRCITEA-ZWKOTPCHSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659859661 419016665 /nfs/dbraw/zinc/01/66/65/419016665.db2.gz LTTMRMJXRCITEA-ZWKOTPCHSA-N 2 1 292.467 3.161 20 0 CGADMP CC[C@H](c1ccccc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659859661 419016668 /nfs/dbraw/zinc/01/66/68/419016668.db2.gz LTTMRMJXRCITEA-ZWKOTPCHSA-N 2 1 292.467 3.161 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCOc1ccccc1 ZINC000653279962 419022660 /nfs/dbraw/zinc/02/26/60/419022660.db2.gz PHMYBRPIILZKGT-JKSUJKDBSA-N 2 1 276.424 3.047 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000659974675 419049981 /nfs/dbraw/zinc/04/99/81/419049981.db2.gz OVTAIOAEIPQSLW-HIFRSBDPSA-N 2 1 288.426 3.332 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000659974675 419049986 /nfs/dbraw/zinc/04/99/86/419049986.db2.gz OVTAIOAEIPQSLW-HIFRSBDPSA-N 2 1 288.426 3.332 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974675 419049990 /nfs/dbraw/zinc/04/99/90/419049990.db2.gz OVTAIOAEIPQSLW-HIFRSBDPSA-N 2 1 288.426 3.332 20 0 CGADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000659943353 419040292 /nfs/dbraw/zinc/04/02/92/419040292.db2.gz BLOCZPWNUBHBAY-MSOLQXFVSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659976673 419050516 /nfs/dbraw/zinc/05/05/16/419050516.db2.gz UMNXWMSFQZKKCI-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC000659973999 419049252 /nfs/dbraw/zinc/04/92/52/419049252.db2.gz JGMLMOBOPCLQCC-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659973999 419049253 /nfs/dbraw/zinc/04/92/53/419049253.db2.gz JGMLMOBOPCLQCC-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659973999 419049254 /nfs/dbraw/zinc/04/92/54/419049254.db2.gz JGMLMOBOPCLQCC-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP c1c2ccccc2sc1C[NH2+]CCC[NH+]1CCC1 ZINC000655754301 419087632 /nfs/dbraw/zinc/08/76/32/419087632.db2.gz SBSLSTULTVYGBP-UHFFFAOYSA-N 2 1 260.406 3.087 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1([NH3+])CCCC1)CCCO2 ZINC000665247480 419089772 /nfs/dbraw/zinc/08/97/72/419089772.db2.gz COPVCUDSKVKFBD-INIZCTEOSA-N 2 1 288.435 3.378 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665248029 419090620 /nfs/dbraw/zinc/09/06/20/419090620.db2.gz NSIUVFNZDKIKNG-HNNXBMFYSA-N 2 1 274.408 3.070 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257283 419095641 /nfs/dbraw/zinc/09/56/41/419095641.db2.gz FFSUFFLPZGDILD-CSMYWGQOSA-N 2 1 276.399 3.049 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000655797459 419099180 /nfs/dbraw/zinc/09/91/80/419099180.db2.gz HXIHQSSXLHBYQN-GRDNDAEWSA-N 2 1 276.399 3.493 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000655797459 419099185 /nfs/dbraw/zinc/09/91/85/419099185.db2.gz HXIHQSSXLHBYQN-GRDNDAEWSA-N 2 1 276.399 3.493 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280138 419101571 /nfs/dbraw/zinc/10/15/71/419101571.db2.gz ULWHHUKVMNZXBE-IUNXBHMESA-N 2 1 295.430 3.195 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000665295219 419109033 /nfs/dbraw/zinc/10/90/33/419109033.db2.gz AJCHOIVOEQBGAM-JKSUJKDBSA-N 2 1 282.431 3.405 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](CC)CC(F)F)CC1 ZINC000659983408 419053137 /nfs/dbraw/zinc/05/31/37/419053137.db2.gz LMEQDCNYDIXWLF-ZDUSSCGKSA-N 2 1 276.415 3.474 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655690735 419066546 /nfs/dbraw/zinc/06/65/46/419066546.db2.gz JZXGPQMZMLBKPA-PMPSAXMXSA-N 2 1 284.513 3.372 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000660617314 419170096 /nfs/dbraw/zinc/17/00/96/419170096.db2.gz WZALVFFLUDLFHS-PKOBYXMFSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000660617314 419170099 /nfs/dbraw/zinc/17/00/99/419170099.db2.gz WZALVFFLUDLFHS-PKOBYXMFSA-N 2 1 284.447 3.134 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000660617314 419170102 /nfs/dbraw/zinc/17/01/02/419170102.db2.gz WZALVFFLUDLFHS-PKOBYXMFSA-N 2 1 284.447 3.134 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666088908 419189080 /nfs/dbraw/zinc/18/90/80/419189080.db2.gz RYTUEOOFRUNXTQ-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP CC[C@@H]1[C@@H](C)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660318024 419126384 /nfs/dbraw/zinc/12/63/84/419126384.db2.gz UTCJYXGXWHPWAZ-XUWVNRHRSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H]1[C@@H](C)CCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660318024 419126386 /nfs/dbraw/zinc/12/63/86/419126386.db2.gz UTCJYXGXWHPWAZ-XUWVNRHRSA-N 2 1 252.446 3.085 20 0 CGADMP COCc1csc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000657293907 419244878 /nfs/dbraw/zinc/24/48/78/419244878.db2.gz WVXKBGOAFIOWJI-AWEZNQCLSA-N 2 1 296.480 3.249 20 0 CGADMP COCc1csc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000657293907 419244879 /nfs/dbraw/zinc/24/48/79/419244879.db2.gz WVXKBGOAFIOWJI-AWEZNQCLSA-N 2 1 296.480 3.249 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cccc3C)[nH]2)C1 ZINC000657325984 419250564 /nfs/dbraw/zinc/25/05/64/419250564.db2.gz QOLXYXMSIKRUGI-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000657361272 419259848 /nfs/dbraw/zinc/25/98/48/419259848.db2.gz JZWGOXXYFUJSNL-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cccnc1[C@@H](NCc1cnc2n1CCC2)C(C)C ZINC000657364674 419260198 /nfs/dbraw/zinc/26/01/98/419260198.db2.gz YTTDPVRKVBANLK-INIZCTEOSA-N 2 1 284.407 3.020 20 0 CGADMP CC(C)[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1F ZINC000661485349 419264235 /nfs/dbraw/zinc/26/42/35/419264235.db2.gz PBYPFVDMJFLMJC-KRWDZBQOSA-N 2 1 289.398 3.479 20 0 CGADMP C[N@H+](CCCc1c(F)cccc1Cl)CC(C)(C)[NH3+] ZINC000656785824 419220086 /nfs/dbraw/zinc/22/00/86/419220086.db2.gz RAXKVYFUZNFTGL-UHFFFAOYSA-N 2 1 272.795 3.081 20 0 CGADMP C[N@@H+](CCCc1c(F)cccc1Cl)CC(C)(C)[NH3+] ZINC000656785824 419220088 /nfs/dbraw/zinc/22/00/88/419220088.db2.gz RAXKVYFUZNFTGL-UHFFFAOYSA-N 2 1 272.795 3.081 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000661860856 419307061 /nfs/dbraw/zinc/30/70/61/419307061.db2.gz IZFQSUZVHVNQLV-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000661860856 419307063 /nfs/dbraw/zinc/30/70/63/419307063.db2.gz IZFQSUZVHVNQLV-GDBMZVCRSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000661524078 419270004 /nfs/dbraw/zinc/27/00/04/419270004.db2.gz WSUGESIRPTUNAY-QILLFSRXSA-N 2 1 272.436 3.179 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC000336209843 228214157 /nfs/dbraw/zinc/21/41/57/228214157.db2.gz GREBMGWXOUPVFC-INIZCTEOSA-N 2 1 272.392 3.349 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657847769 419388418 /nfs/dbraw/zinc/38/84/18/419388418.db2.gz ZUVFAFFOJKHYIU-GFCCVEGCSA-N 2 1 284.363 3.074 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000662314864 419389046 /nfs/dbraw/zinc/38/90/46/419389046.db2.gz PYABJMBVBWHXEP-QZTJIDSGSA-N 2 1 294.483 3.047 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)on2)[C@@H]1CCC[NH3+] ZINC000662318326 419389566 /nfs/dbraw/zinc/38/95/66/419389566.db2.gz XZGGEJGDJPPQBL-UKRRQHHQSA-N 2 1 293.455 3.312 20 0 CGADMP CCCc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662314764 419390800 /nfs/dbraw/zinc/39/08/00/419390800.db2.gz PZOBPHSSMWCDMS-UKRRQHHQSA-N 2 1 295.496 3.435 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C(F)F)nc1 ZINC000657816223 419365131 /nfs/dbraw/zinc/36/51/31/419365131.db2.gz KAOLGGHRDYASKM-LLVKDONJSA-N 2 1 285.382 3.258 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1nsc2ccccc21 ZINC000662248289 419372652 /nfs/dbraw/zinc/37/26/52/419372652.db2.gz YEBOKZKLWBDTRF-CQSZACIVSA-N 2 1 291.464 3.144 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662266774 419374998 /nfs/dbraw/zinc/37/49/98/419374998.db2.gz OXDVKAHEEIJZJF-NEPJUHHUSA-N 2 1 284.856 3.101 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657831485 419377051 /nfs/dbraw/zinc/37/70/51/419377051.db2.gz ZKBWEYPRIMJDQA-CYBMUJFWSA-N 2 1 275.396 3.209 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657831485 419377056 /nfs/dbraw/zinc/37/70/56/419377056.db2.gz ZKBWEYPRIMJDQA-CYBMUJFWSA-N 2 1 275.396 3.209 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(C(C)C)c2)CC[C@@H]1[NH3+] ZINC000662269625 419378970 /nfs/dbraw/zinc/37/89/70/419378970.db2.gz BKQGJMARONGRAW-RDJZCZTQSA-N 2 1 260.425 3.369 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000657839727 419380897 /nfs/dbraw/zinc/38/08/97/419380897.db2.gz DYWLWXJNQMVYNI-DGXTUMSLSA-N 2 1 262.441 3.028 20 0 CGADMP c1cncc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662277967 419383189 /nfs/dbraw/zinc/38/31/89/419383189.db2.gz VPJQWSNEUSLGIF-IBGZPJMESA-N 2 1 293.414 3.064 20 0 CGADMP Clc1cccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662272987 419383329 /nfs/dbraw/zinc/38/33/29/419383329.db2.gz JEFUOEXTVJVRAX-SWLSCSKDSA-N 2 1 296.867 3.116 20 0 CGADMP Clc1cccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662272987 419383333 /nfs/dbraw/zinc/38/33/33/419383333.db2.gz JEFUOEXTVJVRAX-SWLSCSKDSA-N 2 1 296.867 3.116 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCSc1cccc(Cl)c1 ZINC000662283299 419383745 /nfs/dbraw/zinc/38/37/45/419383745.db2.gz HEUFZFCHUNRYPV-DGCLKSJQSA-N 2 1 284.856 3.244 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc2cnccc2o1 ZINC000657843158 419383965 /nfs/dbraw/zinc/38/39/65/419383965.db2.gz CTGGJRHCKQRSES-ZDUSSCGKSA-N 2 1 299.418 3.353 20 0 CGADMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1Cl ZINC000662282336 419384082 /nfs/dbraw/zinc/38/40/82/419384082.db2.gz GIHVSIRQVHEFET-OBJOEFQTSA-N 2 1 296.842 3.154 20 0 CGADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1Cl ZINC000662282336 419384088 /nfs/dbraw/zinc/38/40/88/419384088.db2.gz GIHVSIRQVHEFET-OBJOEFQTSA-N 2 1 296.842 3.154 20 0 CGADMP CCOC1CCC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000657840054 419384606 /nfs/dbraw/zinc/38/46/06/419384606.db2.gz LHLOKYKHYAUVCR-DAWZGUTISA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cnccc2o1 ZINC000657840255 419384659 /nfs/dbraw/zinc/38/46/59/419384659.db2.gz OORGOAVQBZUXOK-NWANDNLSSA-N 2 1 285.391 3.105 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2cnccc2o1 ZINC000657840255 419384663 /nfs/dbraw/zinc/38/46/63/419384663.db2.gz OORGOAVQBZUXOK-NWANDNLSSA-N 2 1 285.391 3.105 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297244 419386123 /nfs/dbraw/zinc/38/61/23/419386123.db2.gz OTIFNNOSYSAZAU-QAPCUYQASA-N 2 1 272.436 3.459 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCCSCC1 ZINC000657848267 419387196 /nfs/dbraw/zinc/38/71/96/419387196.db2.gz MBPSXDHRRPOTJV-XUWVNRHRSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCCSCC1 ZINC000657848267 419387202 /nfs/dbraw/zinc/38/72/02/419387202.db2.gz MBPSXDHRRPOTJV-XUWVNRHRSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc2ccncc2s1 ZINC000657945851 419459794 /nfs/dbraw/zinc/45/97/94/419459794.db2.gz MUGHICZKGKKNCY-YPMHNXCESA-N 2 1 298.415 3.158 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(C(C)C)c1 ZINC000663316190 419553178 /nfs/dbraw/zinc/55/31/78/419553178.db2.gz CBXJUCAXBWAWCM-UHFFFAOYSA-N 2 1 271.408 3.495 20 0 CGADMP C1=CC[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663346615 419565557 /nfs/dbraw/zinc/56/55/57/419565557.db2.gz AUNYIEJYGDRDTO-WBVHZDCISA-N 2 1 262.441 3.054 20 0 CGADMP c1cc2cccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c2[nH]1 ZINC000663345543 419569930 /nfs/dbraw/zinc/56/99/30/419569930.db2.gz KOEWNWJVJPDEQU-INIZCTEOSA-N 2 1 297.446 3.380 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663471764 419625637 /nfs/dbraw/zinc/62/56/37/419625637.db2.gz XVQHAOKCUVVEHQ-IUODEOHRSA-N 2 1 293.480 3.224 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663471764 419625645 /nfs/dbraw/zinc/62/56/45/419625645.db2.gz XVQHAOKCUVVEHQ-IUODEOHRSA-N 2 1 293.480 3.224 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1C ZINC000658227740 419686348 /nfs/dbraw/zinc/68/63/48/419686348.db2.gz CCFJUFBKCWSLNQ-NYTXWWLZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1C ZINC000658227740 419686355 /nfs/dbraw/zinc/68/63/55/419686355.db2.gz CCFJUFBKCWSLNQ-NYTXWWLZSA-N 2 1 250.430 3.028 20 0 CGADMP FCC1(CF)CC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229600 419689494 /nfs/dbraw/zinc/68/94/94/419689494.db2.gz FLRJFLQPJVWYQE-CYBMUJFWSA-N 2 1 286.410 3.071 20 0 CGADMP FCC1(CF)CC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229600 419689502 /nfs/dbraw/zinc/68/95/02/419689502.db2.gz FLRJFLQPJVWYQE-CYBMUJFWSA-N 2 1 286.410 3.071 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC[N@@H+]1C ZINC000658252250 419707576 /nfs/dbraw/zinc/70/75/76/419707576.db2.gz IIOLKDSKMOJYIH-FPCVCCKLSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC[N@H+]1C ZINC000658252250 419707583 /nfs/dbraw/zinc/70/75/83/419707583.db2.gz IIOLKDSKMOJYIH-FPCVCCKLSA-N 2 1 294.483 3.185 20 0 CGADMP Cc1[nH+]c2c(n1C[C@@H]1CCCC[N@H+]1C(C)C)CCCC2 ZINC000664048654 419811086 /nfs/dbraw/zinc/81/10/86/419811086.db2.gz MDFLEPMLPRBRKW-HNNXBMFYSA-N 2 1 275.440 3.333 20 0 CGADMP Cc1[nH+]c2c(n1C[C@@H]1CCCC[N@@H+]1C(C)C)CCCC2 ZINC000664048654 419811091 /nfs/dbraw/zinc/81/10/91/419811091.db2.gz MDFLEPMLPRBRKW-HNNXBMFYSA-N 2 1 275.440 3.333 20 0 CGADMP CCCCOc1ccc(CNC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000019988669 262183901 /nfs/dbraw/zinc/18/39/01/262183901.db2.gz PENRPIJZWGZOBN-QGZVFWFLSA-N 2 1 290.451 3.439 20 0 CGADMP CCCCOc1ccc(CNC[C@H]2CCC[N@H+]2CC)cc1 ZINC000019988669 262183902 /nfs/dbraw/zinc/18/39/02/262183902.db2.gz PENRPIJZWGZOBN-QGZVFWFLSA-N 2 1 290.451 3.439 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533791 270035840 /nfs/dbraw/zinc/03/58/40/270035840.db2.gz HGNABTTUYJSSMH-HUUCEWRRSA-N 2 1 272.436 3.168 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000044535851 270036310 /nfs/dbraw/zinc/03/63/10/270036310.db2.gz SQARSMFYVNMTTO-GFCCVEGCSA-N 2 1 287.234 3.425 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000044534584 270036796 /nfs/dbraw/zinc/03/67/96/270036796.db2.gz CWXJTLXAWJUXOI-XJKSGUPXSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@@H](c2ccco2)C1 ZINC000519175575 265350798 /nfs/dbraw/zinc/35/07/98/265350798.db2.gz PDPQUGDJGWDKMG-GDBMZVCRSA-N 2 1 287.407 3.419 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@@H](c2ccco2)C1 ZINC000519175575 265350799 /nfs/dbraw/zinc/35/07/99/265350799.db2.gz PDPQUGDJGWDKMG-GDBMZVCRSA-N 2 1 287.407 3.419 20 0 CGADMP CCc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000189201320 270070786 /nfs/dbraw/zinc/07/07/86/270070786.db2.gz MZZDWUHKCJGSKS-UHFFFAOYSA-N 2 1 297.446 3.437 20 0 CGADMP CCc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000189378462 270071536 /nfs/dbraw/zinc/07/15/36/270071536.db2.gz MDNXMAZEZOCKTI-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000189378462 270071537 /nfs/dbraw/zinc/07/15/37/270071537.db2.gz MDNXMAZEZOCKTI-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000189378462 270071538 /nfs/dbraw/zinc/07/15/38/270071538.db2.gz MDNXMAZEZOCKTI-KRWDZBQOSA-N 2 1 260.425 3.023 20 0 CGADMP Oc1cccc2c1CCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000192364000 270077305 /nfs/dbraw/zinc/07/73/05/270077305.db2.gz LWWNZLJXAABCOA-QGZVFWFLSA-N 2 1 288.435 3.235 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000219173242 270085778 /nfs/dbraw/zinc/08/57/78/270085778.db2.gz VTXGJRDRXMLNCO-CQSZACIVSA-N 2 1 266.404 3.078 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000219173242 270085779 /nfs/dbraw/zinc/08/57/79/270085779.db2.gz VTXGJRDRXMLNCO-CQSZACIVSA-N 2 1 266.404 3.078 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000223119034 270086163 /nfs/dbraw/zinc/08/61/63/270086163.db2.gz MBKMIBOPAOQLBH-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000227375513 270086962 /nfs/dbraw/zinc/08/69/62/270086962.db2.gz LGTQCPPIZGIQKA-SLTXQBBLSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000227375513 270086963 /nfs/dbraw/zinc/08/69/63/270086963.db2.gz LGTQCPPIZGIQKA-SLTXQBBLSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C(C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)C(C)C ZINC000519562963 270097664 /nfs/dbraw/zinc/09/76/64/270097664.db2.gz FMOKNNNAWJRQJD-RDJZCZTQSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C(C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C(C)C ZINC000519562963 270097665 /nfs/dbraw/zinc/09/76/65/270097665.db2.gz FMOKNNNAWJRQJD-RDJZCZTQSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C(C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C(C)C ZINC000519562963 270097666 /nfs/dbraw/zinc/09/76/66/270097666.db2.gz FMOKNNNAWJRQJD-RDJZCZTQSA-N 2 1 266.473 3.331 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)CCCc2cncn2C)c1 ZINC000520832997 270099395 /nfs/dbraw/zinc/09/93/95/270099395.db2.gz CCIHBPOCKPWSDM-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000520832997 270099396 /nfs/dbraw/zinc/09/93/96/270099396.db2.gz CCIHBPOCKPWSDM-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000520832997 270099397 /nfs/dbraw/zinc/09/93/97/270099397.db2.gz CCIHBPOCKPWSDM-UHFFFAOYSA-N 2 1 271.408 3.102 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000527843555 270139130 /nfs/dbraw/zinc/13/91/30/270139130.db2.gz BTRBFRJDMXMRIN-QGZVFWFLSA-N 2 1 260.425 3.438 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527846915 270139447 /nfs/dbraw/zinc/13/94/47/270139447.db2.gz NNZHFSQYLSEZBY-HNNXBMFYSA-N 2 1 282.790 3.150 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527855917 270139874 /nfs/dbraw/zinc/13/98/74/270139874.db2.gz XBDKFFDBNUHQTK-RBSFLKMASA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527855917 270139875 /nfs/dbraw/zinc/13/98/75/270139875.db2.gz XBDKFFDBNUHQTK-RBSFLKMASA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527356 270182603 /nfs/dbraw/zinc/18/26/03/270182603.db2.gz DASLJUAZJYRACF-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527356 270182604 /nfs/dbraw/zinc/18/26/04/270182604.db2.gz DASLJUAZJYRACF-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527356 270182605 /nfs/dbraw/zinc/18/26/05/270182605.db2.gz DASLJUAZJYRACF-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000530232099 270196761 /nfs/dbraw/zinc/19/67/61/270196761.db2.gz NDZOWUZBBZGCEQ-PBHICJAKSA-N 2 1 290.426 3.393 20 0 CGADMP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530245512 270197245 /nfs/dbraw/zinc/19/72/45/270197245.db2.gz YOQXXUNILMLFNY-HNNXBMFYSA-N 2 1 296.817 3.286 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C[C@H]1C ZINC000530460276 270200087 /nfs/dbraw/zinc/20/00/87/270200087.db2.gz GOWRWHKJKDAVGG-FMKPAKJESA-N 2 1 263.429 3.013 20 0 CGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCc1c[nH+]cn1C ZINC000530460332 270200397 /nfs/dbraw/zinc/20/03/97/270200397.db2.gz MGTCJLWWLXAQDE-CZUORRHYSA-N 2 1 269.392 3.109 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531438228 270206823 /nfs/dbraw/zinc/20/68/23/270206823.db2.gz AGMNMMUFYFRGLL-XDNAFOTISA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000531957095 270211800 /nfs/dbraw/zinc/21/18/00/270211800.db2.gz GVWWLRJRJUGPKQ-NVXWUHKLSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000531957095 270211801 /nfs/dbraw/zinc/21/18/01/270211801.db2.gz GVWWLRJRJUGPKQ-NVXWUHKLSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422729720 273752896 /nfs/dbraw/zinc/75/28/96/273752896.db2.gz IMBIPEPBTMATDY-ULQDDVLXSA-N 2 1 258.409 3.184 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000049554230 274209147 /nfs/dbraw/zinc/20/91/47/274209147.db2.gz YXVNSVDDKWTOOF-FZMZJTMJSA-N 2 1 282.428 3.292 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854313 274230852 /nfs/dbraw/zinc/23/08/52/274230852.db2.gz UUHAYJIAWDDJSY-GUYCJALGSA-N 2 1 278.415 3.254 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000340446216 274334786 /nfs/dbraw/zinc/33/47/86/274334786.db2.gz YSVPUPHPRUPKPV-NRSFXHEJSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000252709228 274335627 /nfs/dbraw/zinc/33/56/27/274335627.db2.gz CIXKQOKLYUTQRJ-UWWQBHOKSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000036908421 274340508 /nfs/dbraw/zinc/34/05/08/274340508.db2.gz XHBSLYKDROAQHJ-LALPHHSUSA-N 2 1 266.816 3.158 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000414654627 274359007 /nfs/dbraw/zinc/35/90/07/274359007.db2.gz GHUUIQXYSQWGED-DDBAPUKQSA-N 2 1 272.436 3.166 20 0 CGADMP C[C@@]1(C[NH3+])CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000235416449 274450320 /nfs/dbraw/zinc/45/03/20/274450320.db2.gz FDHHHBQVFJUZAW-HNNXBMFYSA-N 2 1 275.783 3.063 20 0 CGADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000126482693 274882126 /nfs/dbraw/zinc/88/21/26/274882126.db2.gz OXRUKHSXDSVFDB-INIZCTEOSA-N 2 1 290.838 3.024 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000423310665 274961189 /nfs/dbraw/zinc/96/11/89/274961189.db2.gz AQGVDLIPVVMTQX-CHWSQXEVSA-N 2 1 285.218 3.308 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262080972 275389909 /nfs/dbraw/zinc/38/99/09/275389909.db2.gz TVYRDLTYQVWPOZ-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[C@H]1C1CC1 ZINC000414184462 275395554 /nfs/dbraw/zinc/39/55/54/275395554.db2.gz FUUVJKXYVHILKC-VQHPVUNQSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439984 276000585 /nfs/dbraw/zinc/00/05/85/276000585.db2.gz ABRZKCQCVOPNRY-TWMKSMIVSA-N 2 1 298.540 3.474 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000437109104 276015492 /nfs/dbraw/zinc/01/54/92/276015492.db2.gz WBJLMBDAJFWZJK-TUAOUCFPSA-N 2 1 266.351 3.036 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000437109104 276015493 /nfs/dbraw/zinc/01/54/93/276015493.db2.gz WBJLMBDAJFWZJK-TUAOUCFPSA-N 2 1 266.351 3.036 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000338018919 276118293 /nfs/dbraw/zinc/11/82/93/276118293.db2.gz MSDVEVSMJQNUHD-ILXRZTDVSA-N 2 1 258.425 3.225 20 0 CGADMP CC(C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528291 276093473 /nfs/dbraw/zinc/09/34/73/276093473.db2.gz YUQKIOVSWBJODW-XSLAGTTESA-N 2 1 276.468 3.371 20 0 CGADMP CCC1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000261580014 276222014 /nfs/dbraw/zinc/22/20/14/276222014.db2.gz PWLWJIWLFWFPKJ-CIDNJEQPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572572 276225109 /nfs/dbraw/zinc/22/51/09/276225109.db2.gz UZWYOUDUBFMRKG-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572572 276225112 /nfs/dbraw/zinc/22/51/12/276225112.db2.gz UZWYOUDUBFMRKG-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572572 276225114 /nfs/dbraw/zinc/22/51/14/276225114.db2.gz UZWYOUDUBFMRKG-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(C)cccc32)[C@H](C)C1 ZINC000189460434 276231476 /nfs/dbraw/zinc/23/14/76/276231476.db2.gz BPWRIXQIIWJVKN-PVAVHDDUSA-N 2 1 288.435 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(C)cccc32)[C@H](C)C1 ZINC000189460434 276231477 /nfs/dbraw/zinc/23/14/77/276231477.db2.gz BPWRIXQIIWJVKN-PVAVHDDUSA-N 2 1 288.435 3.139 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000353145192 276260328 /nfs/dbraw/zinc/26/03/28/276260328.db2.gz WGAMVMQPBYRNCR-KURKYZTESA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000353145192 276260330 /nfs/dbraw/zinc/26/03/30/276260330.db2.gz WGAMVMQPBYRNCR-KURKYZTESA-N 2 1 272.436 3.254 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(C)C)[C@H](C)C1 ZINC000499551712 276399000 /nfs/dbraw/zinc/39/90/00/276399000.db2.gz ZUKSRUKXBFZTQP-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)(C)C)[C@H](C)C1 ZINC000499551712 276399002 /nfs/dbraw/zinc/39/90/02/276399002.db2.gz ZUKSRUKXBFZTQP-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)(C)C)[C@H](C)C1 ZINC000499551712 276399004 /nfs/dbraw/zinc/39/90/04/276399004.db2.gz ZUKSRUKXBFZTQP-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000414185663 277053453 /nfs/dbraw/zinc/05/34/53/277053453.db2.gz OOILYNZLOFCTHD-YOEHRIQHSA-N 2 1 288.435 3.091 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(F)cc1)C1CC1 ZINC000124744202 277059718 /nfs/dbraw/zinc/05/97/18/277059718.db2.gz CNVUELGCHXGBES-MRXNPFEDSA-N 2 1 276.399 3.274 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(F)cc1)C1CC1 ZINC000124744202 277059719 /nfs/dbraw/zinc/05/97/19/277059719.db2.gz CNVUELGCHXGBES-MRXNPFEDSA-N 2 1 276.399 3.274 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000124744202 277059720 /nfs/dbraw/zinc/05/97/20/277059720.db2.gz CNVUELGCHXGBES-MRXNPFEDSA-N 2 1 276.399 3.274 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000124744202 277059721 /nfs/dbraw/zinc/05/97/21/277059721.db2.gz CNVUELGCHXGBES-MRXNPFEDSA-N 2 1 276.399 3.274 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000459785659 277073413 /nfs/dbraw/zinc/07/34/13/277073413.db2.gz PAJWJFALOHHTPK-MCIONIFRSA-N 2 1 292.389 3.429 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1Cc2sccc2CC1(C)C ZINC000459590679 277078881 /nfs/dbraw/zinc/07/88/81/277078881.db2.gz YTTKUIKYAFMHPJ-AWEZNQCLSA-N 2 1 278.465 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459590679 277078882 /nfs/dbraw/zinc/07/88/82/277078882.db2.gz YTTKUIKYAFMHPJ-AWEZNQCLSA-N 2 1 278.465 3.369 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1Cc2sccc2CC1(C)C ZINC000459590679 277078883 /nfs/dbraw/zinc/07/88/83/277078883.db2.gz YTTKUIKYAFMHPJ-AWEZNQCLSA-N 2 1 278.465 3.369 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000415001246 277133710 /nfs/dbraw/zinc/13/37/10/277133710.db2.gz MDURRMKWJNJVRY-ROKHWSDSSA-N 2 1 288.426 3.426 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000513658972 277173157 /nfs/dbraw/zinc/17/31/57/277173157.db2.gz ADURBPUFVPUGIM-YDZRNGNQSA-N 2 1 284.447 3.006 20 0 CGADMP CO[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284946826 277324785 /nfs/dbraw/zinc/32/47/85/277324785.db2.gz FAKIULXODIWQCT-FAEJEUNOSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000261564329 277381000 /nfs/dbraw/zinc/38/10/00/277381000.db2.gz HGINADXHGUJKKC-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422817587 277386076 /nfs/dbraw/zinc/38/60/76/277386076.db2.gz HXMFVQIOGARIQR-WMZOPIPTSA-N 3 1 295.515 3.007 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414831506 277483702 /nfs/dbraw/zinc/48/37/02/277483702.db2.gz CGCVSOMPSJAXPU-SWLSCSKDSA-N 2 1 268.832 3.234 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1C ZINC000494964385 278026790 /nfs/dbraw/zinc/02/67/90/278026790.db2.gz OVGARTSIBVIQKQ-SRABZTEZSA-N 2 1 264.457 3.418 20 0 CGADMP CC(CC[NH+]1CCC[C@H]1C)CC[N@H+]1CCC[C@H]1C ZINC000411293090 278155584 /nfs/dbraw/zinc/15/55/84/278155584.db2.gz GDPAOLNZKNNVHK-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000449784486 278220165 /nfs/dbraw/zinc/22/01/65/278220165.db2.gz XIZUJMPKMUJBFH-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000449784486 278220167 /nfs/dbraw/zinc/22/01/67/278220167.db2.gz XIZUJMPKMUJBFH-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297544407 278229073 /nfs/dbraw/zinc/22/90/73/278229073.db2.gz FETPRIUUBJWRFW-WCQYABFASA-N 2 1 281.831 3.042 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423393217 278250583 /nfs/dbraw/zinc/25/05/83/278250583.db2.gz MAZJQJDVJHECPQ-VHRBIJSZSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415103951 278297874 /nfs/dbraw/zinc/29/78/74/278297874.db2.gz DGRKJXYUZFKLOA-IJEWVQPXSA-N 2 1 278.415 3.077 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261598171 278306886 /nfs/dbraw/zinc/30/68/86/278306886.db2.gz ATQKNVUUZCSHPW-IUODEOHRSA-N 2 1 298.352 3.452 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398017425 288037471 /nfs/dbraw/zinc/03/74/71/288037471.db2.gz HZZNIXLTOFOMCD-LPHOPBHVSA-N 2 1 295.430 3.134 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000453107345 288075834 /nfs/dbraw/zinc/07/58/34/288075834.db2.gz IRTUFCMJWOGVLS-HZPDHXFCSA-N 2 1 296.480 3.026 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000459563378 288097682 /nfs/dbraw/zinc/09/76/82/288097682.db2.gz PZMHQSIEMGXQNL-KKUMJFAQSA-N 2 1 264.457 3.418 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129764 279132795 /nfs/dbraw/zinc/13/27/95/279132795.db2.gz MYGBZKCTBZOMBC-RWMBFGLXSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000061910060 279267554 /nfs/dbraw/zinc/26/75/54/279267554.db2.gz DQKOMGOZEFGIEE-YFHUEUNASA-N 2 1 274.452 3.499 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3o2)C1 ZINC000519168924 288133853 /nfs/dbraw/zinc/13/38/53/288133853.db2.gz UTCBYNDHNVWCIS-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168924 288133856 /nfs/dbraw/zinc/13/38/56/288133856.db2.gz UTCBYNDHNVWCIS-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168924 288133858 /nfs/dbraw/zinc/13/38/58/288133858.db2.gz UTCBYNDHNVWCIS-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000422689270 279497570 /nfs/dbraw/zinc/49/75/70/279497570.db2.gz FAQUWIMFJJCDAQ-AVGNSLFASA-N 2 1 266.816 3.379 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(C)(C)CC2)C[C@H](C)O1 ZINC000237666995 288159242 /nfs/dbraw/zinc/15/92/42/288159242.db2.gz ZCWZYKLVZYTTEM-IYBDPMFKSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC3(CC3)CC2)C[C@H](C)O1 ZINC000362923558 288159701 /nfs/dbraw/zinc/15/97/01/288159701.db2.gz KINKEKQOLLNONW-IYBDPMFKSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000178038600 288161610 /nfs/dbraw/zinc/16/16/10/288161610.db2.gz BPVIOYJZTISAJQ-NXOAAHMSSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000414170681 280325693 /nfs/dbraw/zinc/32/56/93/280325693.db2.gz CCGDHDYOPQBROE-YOEHRIQHSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423358565 280332339 /nfs/dbraw/zinc/33/23/39/280332339.db2.gz BSTPMHFWTFKAEU-GWCFXTLKSA-N 2 1 274.330 3.339 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537789 288260180 /nfs/dbraw/zinc/26/01/80/288260180.db2.gz VIZWWWARSOCHPS-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537789 288260183 /nfs/dbraw/zinc/26/01/83/288260183.db2.gz VIZWWWARSOCHPS-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537789 288260186 /nfs/dbraw/zinc/26/01/86/288260186.db2.gz VIZWWWARSOCHPS-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)[C@H](C)C2 ZINC000180029180 281090808 /nfs/dbraw/zinc/09/08/08/281090808.db2.gz BQQKGTTZRRBQPO-KUHUBIRLSA-N 2 1 284.447 3.445 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C4CC4)C[C@H](C)C3)c2c1 ZINC000450546434 281169513 /nfs/dbraw/zinc/16/95/13/281169513.db2.gz HTHCURSCBHZGRY-HNNXBMFYSA-N 2 1 295.430 3.464 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000530407435 288305135 /nfs/dbraw/zinc/30/51/35/288305135.db2.gz HFRIHKAADYGIBZ-MJGOQNOKSA-N 2 1 297.446 3.354 20 0 CGADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000420376235 281235273 /nfs/dbraw/zinc/23/52/73/281235273.db2.gz QEUOMGQOSOWWMX-CYBMUJFWSA-N 2 1 292.389 3.287 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000532449508 288361494 /nfs/dbraw/zinc/36/14/94/288361494.db2.gz KXPVQLWJPMNCFU-SJCJKPOMSA-N 2 1 290.838 3.401 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C(C)C)C1CC1)[NH+](C)C ZINC000532458856 288362051 /nfs/dbraw/zinc/36/20/51/288362051.db2.gz RLIJWXMTWGCEDI-HOTGVXAUSA-N 2 1 254.462 3.377 20 0 CGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]3C[C@H]31)C2 ZINC000549035031 289032607 /nfs/dbraw/zinc/03/26/07/289032607.db2.gz QDJQXAFRHKAIIK-QXAKKESOSA-N 2 1 284.447 3.213 20 0 CGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@H]3C[C@H]31)C2 ZINC000549035031 289032608 /nfs/dbraw/zinc/03/26/08/289032608.db2.gz QDJQXAFRHKAIIK-QXAKKESOSA-N 2 1 284.447 3.213 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000549035058 289032675 /nfs/dbraw/zinc/03/26/75/289032675.db2.gz VJOOUNDAUGAWMW-NUEKZKHPSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000549035058 289032679 /nfs/dbraw/zinc/03/26/79/289032679.db2.gz VJOOUNDAUGAWMW-NUEKZKHPSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000549860880 289057195 /nfs/dbraw/zinc/05/71/95/289057195.db2.gz SVSAOVRMCWONFW-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000549860880 289057198 /nfs/dbraw/zinc/05/71/98/289057198.db2.gz SVSAOVRMCWONFW-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000549860880 289057201 /nfs/dbraw/zinc/05/72/01/289057201.db2.gz SVSAOVRMCWONFW-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCCC3)CCCC1 ZINC000353249443 289059912 /nfs/dbraw/zinc/05/99/12/289059912.db2.gz MPRIAFSCOMFVKU-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000550883259 289087899 /nfs/dbraw/zinc/08/78/99/289087899.db2.gz XECXOCMKMDOFLR-CJNGLKHVSA-N 2 1 288.460 3.374 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCCN2C(C)C)C1 ZINC000551069988 289098064 /nfs/dbraw/zinc/09/80/64/289098064.db2.gz PPTBEXWLTZUVOA-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CC(C(C)C)C(C)C ZINC000551576942 289123380 /nfs/dbraw/zinc/12/33/80/289123380.db2.gz XFJJKADHONMSBB-UHFFFAOYSA-N 2 1 251.418 3.099 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000552100675 289163364 /nfs/dbraw/zinc/16/33/64/289163364.db2.gz QPOKMBFVMXMAJB-JYJNAYRXSA-N 2 1 270.436 3.369 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000552100675 289163369 /nfs/dbraw/zinc/16/33/69/289163369.db2.gz QPOKMBFVMXMAJB-JYJNAYRXSA-N 2 1 270.436 3.369 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000554742037 289307544 /nfs/dbraw/zinc/30/75/44/289307544.db2.gz SSBGIYDXKMMJTO-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000554742037 289307547 /nfs/dbraw/zinc/30/75/47/289307547.db2.gz SSBGIYDXKMMJTO-CWRNSKLLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000554875171 289315966 /nfs/dbraw/zinc/31/59/66/289315966.db2.gz VHGZTHFREHOBLA-OIISXLGYSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555228372 289334395 /nfs/dbraw/zinc/33/43/95/289334395.db2.gz ZCJKZKLNWHXJLH-ABJHKEKUSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555228372 289334396 /nfs/dbraw/zinc/33/43/96/289334396.db2.gz ZCJKZKLNWHXJLH-ABJHKEKUSA-N 2 1 272.436 3.251 20 0 CGADMP CC(C)[NH+](CC[NH2+]CC1Cc2ccccc2C1)C(C)C ZINC000558567391 289503925 /nfs/dbraw/zinc/50/39/25/289503925.db2.gz BMHFODJMFTYAJU-UHFFFAOYSA-N 2 1 274.452 3.110 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854311 289744232 /nfs/dbraw/zinc/74/42/32/289744232.db2.gz UUHAYJIAWDDJSY-CXAGYDPISA-N 2 1 278.415 3.254 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2c(s1)CCCC2 ZINC000423284219 290035465 /nfs/dbraw/zinc/03/54/65/290035465.db2.gz WRISGUGUJYINHL-GXFFZTMASA-N 2 1 264.438 3.015 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000423276159 290035612 /nfs/dbraw/zinc/03/56/12/290035612.db2.gz MLJUMZKKIQEJRB-WIUHASLOSA-N 2 1 278.362 3.071 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245170 290224850 /nfs/dbraw/zinc/22/48/50/290224850.db2.gz NRRPSGBCPCNJRP-GHMZBOCLSA-N 2 1 272.314 3.047 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252881471 290248211 /nfs/dbraw/zinc/24/82/11/290248211.db2.gz YSTFKWFSSWBTEG-SHPPOPEUSA-N 2 1 278.827 3.460 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC12CCC2 ZINC000337411592 290388154 /nfs/dbraw/zinc/38/81/54/290388154.db2.gz WGNWIRDEWCRXBZ-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C(C)C)C2CCCC2)cc1 ZINC000420300156 295212204 /nfs/dbraw/zinc/21/22/04/295212204.db2.gz HJDRSYWIKORFFR-INIZCTEOSA-N 2 1 290.451 3.391 20 0 CGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]CCC(C)(C)C)cc1 ZINC000414877435 295225441 /nfs/dbraw/zinc/22/54/41/295225441.db2.gz FXESEEWWVPXIOL-DLBZAZTESA-N 2 1 290.451 3.167 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000037074633 295236258 /nfs/dbraw/zinc/23/62/58/295236258.db2.gz HHDMTSJTPLGOHH-PRTUASRFSA-N 2 1 292.398 3.110 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000469864613 301286749 /nfs/dbraw/zinc/28/67/49/301286749.db2.gz WCRKYCWLAIJMAX-STQMWFEESA-N 2 1 266.816 3.126 20 0 CGADMP FC(F)(F)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CCC2 ZINC000261630880 303118074 /nfs/dbraw/zinc/11/80/74/303118074.db2.gz CMKGCAOCRZCWEZ-OLZOCXBDSA-N 2 1 290.373 3.041 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CSCCc3ccccc32)CCCCC1 ZINC000423181697 303359592 /nfs/dbraw/zinc/35/95/92/303359592.db2.gz PHKRXBCLSOMBKN-MRXNPFEDSA-N 2 1 290.476 3.268 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000566748476 322137117 /nfs/dbraw/zinc/13/71/17/322137117.db2.gz KUJJVAVGYFDDGG-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000567363379 322160466 /nfs/dbraw/zinc/16/04/66/322160466.db2.gz CQXXVQVATPNMSP-GXTWGEPZSA-N 2 1 264.438 3.110 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000567363379 322160468 /nfs/dbraw/zinc/16/04/68/322160468.db2.gz CQXXVQVATPNMSP-GXTWGEPZSA-N 2 1 264.438 3.110 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000567409987 322162182 /nfs/dbraw/zinc/16/21/82/322162182.db2.gz MMACXCKMLVWSTK-PHPOFCCKSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000567409987 322162183 /nfs/dbraw/zinc/16/21/83/322162183.db2.gz MMACXCKMLVWSTK-PHPOFCCKSA-N 2 1 264.457 3.131 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000567429177 322162829 /nfs/dbraw/zinc/16/28/29/322162829.db2.gz BUURPALRNZZUSO-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000567429177 322162831 /nfs/dbraw/zinc/16/28/31/322162831.db2.gz BUURPALRNZZUSO-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000567429177 322162834 /nfs/dbraw/zinc/16/28/34/322162834.db2.gz BUURPALRNZZUSO-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCCCCn1ccnc1 ZINC000567750340 322175983 /nfs/dbraw/zinc/17/59/83/322175983.db2.gz RVBCBJCOEYOETF-UHFFFAOYSA-N 2 1 280.375 3.054 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCCCC1 ZINC000568677349 322217967 /nfs/dbraw/zinc/21/79/67/322217967.db2.gz USINLHWKLOJLGC-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccccn1 ZINC000568748558 322220913 /nfs/dbraw/zinc/22/09/13/322220913.db2.gz FNIIZVOPFRGZLZ-MRXNPFEDSA-N 2 1 263.429 3.147 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000570035524 322263356 /nfs/dbraw/zinc/26/33/56/322263356.db2.gz IHCFKTQCPBLZFB-NSHDSACASA-N 2 1 269.458 3.225 20 0 CGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CCC2CCCC2)C(C)(C)C)C1 ZINC000570975927 322287081 /nfs/dbraw/zinc/28/70/81/322287081.db2.gz NFSJCFHVJFMHKT-FUHWJXTLSA-N 2 1 296.499 3.028 20 0 CGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CCC2CCCC2)C(C)(C)C)C1 ZINC000570975927 322287082 /nfs/dbraw/zinc/28/70/82/322287082.db2.gz NFSJCFHVJFMHKT-FUHWJXTLSA-N 2 1 296.499 3.028 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000572558443 322343583 /nfs/dbraw/zinc/34/35/83/322343583.db2.gz AUEHKLFKZZKBRV-YESZJQIVSA-N 2 1 284.488 3.292 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000572558443 322343586 /nfs/dbraw/zinc/34/35/86/322343586.db2.gz AUEHKLFKZZKBRV-YESZJQIVSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCC[C@@H](C)C1 ZINC000573218083 322376216 /nfs/dbraw/zinc/37/62/16/322376216.db2.gz ZLBAHUSZQHJMRZ-QLFBSQMISA-N 2 1 263.429 3.157 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000582695370 329128846 /nfs/dbraw/zinc/12/88/46/329128846.db2.gz LVAKGBYGNHUQHO-CABCVRRESA-N 2 1 266.429 3.311 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000582695370 329128847 /nfs/dbraw/zinc/12/88/47/329128847.db2.gz LVAKGBYGNHUQHO-CABCVRRESA-N 2 1 266.429 3.311 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000582753740 329144427 /nfs/dbraw/zinc/14/44/27/329144427.db2.gz FKPLKOWIZPWUSJ-CVEARBPZSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000582753740 329144428 /nfs/dbraw/zinc/14/44/28/329144428.db2.gz FKPLKOWIZPWUSJ-CVEARBPZSA-N 2 1 262.441 3.244 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000395167381 329278038 /nfs/dbraw/zinc/27/80/38/329278038.db2.gz XLBBZVSTFILALN-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000582861624 329278083 /nfs/dbraw/zinc/27/80/83/329278083.db2.gz PFQQFDUQKZRKNV-OWCLPIDISA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1CSC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379632383 330144669 /nfs/dbraw/zinc/14/46/69/330144669.db2.gz SLEQLNZXYXQIFR-VYDXJSESSA-N 2 1 292.492 3.238 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000580483876 330256797 /nfs/dbraw/zinc/25/67/97/330256797.db2.gz VCFVYBUMCRMHMN-SKHUITFRSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000580483876 330256798 /nfs/dbraw/zinc/25/67/98/330256798.db2.gz VCFVYBUMCRMHMN-SKHUITFRSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000580483876 330256799 /nfs/dbraw/zinc/25/67/99/330256799.db2.gz VCFVYBUMCRMHMN-SKHUITFRSA-N 2 1 272.436 3.362 20 0 CGADMP C/C(=C/c1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000580483876 330256800 /nfs/dbraw/zinc/25/68/00/330256800.db2.gz VCFVYBUMCRMHMN-SKHUITFRSA-N 2 1 272.436 3.362 20 0 CGADMP C[C@H](C[NH2+]CC1Cc2ccccc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000576392638 335197653 /nfs/dbraw/zinc/19/76/53/335197653.db2.gz UBQJSSVSOZDHHP-JKSUJKDBSA-N 2 1 286.463 3.111 20 0 CGADMP C[C@H](C[NH2+]CC1Cc2ccccc2C1)[N@H+]1CCC[C@H](C)C1 ZINC000576392638 335197654 /nfs/dbraw/zinc/19/76/54/335197654.db2.gz UBQJSSVSOZDHHP-JKSUJKDBSA-N 2 1 286.463 3.111 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000577106879 335301154 /nfs/dbraw/zinc/30/11/54/335301154.db2.gz KGRVSRYJTUEPMK-CRAIPNDOSA-N 2 1 274.452 3.254 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000577106879 335301156 /nfs/dbraw/zinc/30/11/56/335301156.db2.gz KGRVSRYJTUEPMK-CRAIPNDOSA-N 2 1 274.452 3.254 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000178412888 335430397 /nfs/dbraw/zinc/43/03/97/335430397.db2.gz MRLLLHKOYYYNBI-NSHDSACASA-N 2 1 286.341 3.240 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000581142719 336015420 /nfs/dbraw/zinc/01/54/20/336015420.db2.gz BTORCGIBSJJKRZ-INIZCTEOSA-N 2 1 292.467 3.290 20 0 CGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000383554122 336113808 /nfs/dbraw/zinc/11/38/08/336113808.db2.gz IBBRWDUGCOEVSW-MRXNPFEDSA-N 2 1 260.425 3.288 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000385717766 336154926 /nfs/dbraw/zinc/15/49/26/336154926.db2.gz MHERPHXDSYWVPA-VNQPRFMTSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000385717766 336154927 /nfs/dbraw/zinc/15/49/27/336154927.db2.gz MHERPHXDSYWVPA-VNQPRFMTSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000386506074 336175845 /nfs/dbraw/zinc/17/58/45/336175845.db2.gz WNGFGTOVLMTKHX-CHWSQXEVSA-N 2 1 266.454 3.146 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000339413423 519345967 /nfs/dbraw/zinc/34/59/67/519345967.db2.gz NBGFLQLPWQPQKN-NVXWUHKLSA-N 2 1 260.425 3.097 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC000424366118 533719398 /nfs/dbraw/zinc/71/93/98/533719398.db2.gz IJDWIKAWWVYFGM-ZIAGYGMSSA-N 2 1 297.240 3.117 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc2ccccc2o1 ZINC000423518916 533852470 /nfs/dbraw/zinc/85/24/70/533852470.db2.gz CSJLVEIKHJTYLT-LBPRGKRZSA-N 2 1 258.365 3.226 20 0 CGADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C ZINC000424302428 533913085 /nfs/dbraw/zinc/91/30/85/533913085.db2.gz ZMHHVSMLLVBHAG-MRXNPFEDSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000414176064 533964726 /nfs/dbraw/zinc/96/47/26/533964726.db2.gz HJCSRQIQLKGCIZ-RTWAVKEYSA-N 2 1 296.817 3.407 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@H+]1C ZINC000414176064 533964734 /nfs/dbraw/zinc/96/47/34/533964734.db2.gz HJCSRQIQLKGCIZ-RTWAVKEYSA-N 2 1 296.817 3.407 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000102424098 519862410 /nfs/dbraw/zinc/86/24/10/519862410.db2.gz XJUZWYAZGXWOLQ-QIPRVMPFSA-N 2 1 272.436 3.411 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000163873364 521647062 /nfs/dbraw/zinc/64/70/62/521647062.db2.gz GHOHOQPQNVGKSF-CQSZACIVSA-N 2 1 292.471 3.256 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000037643759 521717486 /nfs/dbraw/zinc/71/74/86/521717486.db2.gz VNMUJCVNCNYMGA-CYBMUJFWSA-N 2 1 286.341 3.137 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712028 522927898 /nfs/dbraw/zinc/92/78/98/522927898.db2.gz GGLIUTLUCSLARH-FRFSOERESA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712028 522927907 /nfs/dbraw/zinc/92/79/07/522927907.db2.gz GGLIUTLUCSLARH-FRFSOERESA-N 2 1 276.424 3.219 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)C1CCCC1 ZINC000423505840 534677973 /nfs/dbraw/zinc/67/79/73/534677973.db2.gz HJVQCLKOIVSADT-HUUCEWRRSA-N 2 1 294.439 3.470 20 0 CGADMP Cc1cccc(CC[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000449263122 534692039 /nfs/dbraw/zinc/69/20/39/534692039.db2.gz GTNBUCCEZLXSKU-UHFFFAOYSA-N 2 1 272.436 3.098 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000041203293 524023706 /nfs/dbraw/zinc/02/37/06/524023706.db2.gz FVNIAPDOIUYRBN-LLVKDONJSA-N 2 1 252.427 3.055 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)oc21 ZINC000049553735 524261599 /nfs/dbraw/zinc/26/15/99/524261599.db2.gz ZCRNVACBBGWXQZ-OLZOCXBDSA-N 2 1 290.407 3.432 20 0 CGADMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1Br ZINC000157107056 524391754 /nfs/dbraw/zinc/39/17/54/524391754.db2.gz ZUABHYCZJWHBNY-UHFFFAOYSA-N 2 1 299.256 3.174 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277538429 524613435 /nfs/dbraw/zinc/61/34/35/524613435.db2.gz QFIFGFIHEGKWDQ-WMLDXEAASA-N 2 1 278.415 3.345 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)c1C ZINC000261744273 524850264 /nfs/dbraw/zinc/85/02/64/524850264.db2.gz IZJBZTPEQKLLNX-ROUUACIJSA-N 2 1 272.436 3.440 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157575739 526417126 /nfs/dbraw/zinc/41/71/26/526417126.db2.gz FVOURYPDFUAHAK-ZWKOTPCHSA-N 2 1 270.420 3.280 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000161616109 527396447 /nfs/dbraw/zinc/39/64/47/527396447.db2.gz PIZNRQUBDMLXBI-INIZCTEOSA-N 2 1 261.413 3.236 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C1CCC1 ZINC000161616109 527396454 /nfs/dbraw/zinc/39/64/54/527396454.db2.gz PIZNRQUBDMLXBI-INIZCTEOSA-N 2 1 261.413 3.236 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@H](C)C1 ZINC000366671978 527809396 /nfs/dbraw/zinc/80/93/96/527809396.db2.gz KIMWECVTORROHE-ATNYBXOESA-N 2 1 290.426 3.392 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2SC)C1 ZINC000358036601 527819152 /nfs/dbraw/zinc/81/91/52/527819152.db2.gz PGUGKNFEJWTLNG-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2SC)C1 ZINC000358036601 527819157 /nfs/dbraw/zinc/81/91/57/527819157.db2.gz PGUGKNFEJWTLNG-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC000358036601 527819163 /nfs/dbraw/zinc/81/91/63/527819163.db2.gz PGUGKNFEJWTLNG-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000358036601 527819168 /nfs/dbraw/zinc/81/91/68/527819168.db2.gz PGUGKNFEJWTLNG-AWEZNQCLSA-N 2 1 278.465 3.182 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2ccccc2)C1 ZINC000176283481 527847791 /nfs/dbraw/zinc/84/77/91/527847791.db2.gz CEVFCDRLMMKMOA-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000176283481 527847793 /nfs/dbraw/zinc/84/77/93/527847793.db2.gz CEVFCDRLMMKMOA-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000176283481 527847796 /nfs/dbraw/zinc/84/77/96/527847796.db2.gz CEVFCDRLMMKMOA-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423279304 528163084 /nfs/dbraw/zinc/16/30/84/528163084.db2.gz RFDFJWSZUZPRNW-CXAGYDPISA-N 2 1 276.424 3.109 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423259703 528310097 /nfs/dbraw/zinc/31/00/97/528310097.db2.gz FQEBDXVQUIJPLU-YPMHNXCESA-N 2 1 266.454 3.261 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423246655 528332932 /nfs/dbraw/zinc/33/29/32/528332932.db2.gz ZQJVEYUJCDHJCU-UKRRQHHQSA-N 2 1 266.816 3.175 20 0 CGADMP CCN(CCC[NH+]1CCCC1)c1cc[nH+]cc1Cl ZINC000425258257 528449468 /nfs/dbraw/zinc/44/94/68/528449468.db2.gz SFHDAKQOOOHURJ-UHFFFAOYSA-N 2 1 267.804 3.047 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(F)ccc1F ZINC000425938502 528588133 /nfs/dbraw/zinc/58/81/33/528588133.db2.gz XLDNDHUHHFKAGY-BLLLJJGKSA-N 2 1 284.394 3.449 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CC([NH3+])(CC)CC)cc1 ZINC000423290397 528593093 /nfs/dbraw/zinc/59/30/93/528593093.db2.gz ZYWTWEMESRLFTO-CYBMUJFWSA-N 2 1 264.413 3.253 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)C)[C@@H](C)C1 ZINC000437076629 528668674 /nfs/dbraw/zinc/66/86/74/528668674.db2.gz OVVXANVLZATGLO-IRXDYDNUSA-N 2 1 298.515 3.395 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000414115140 528670611 /nfs/dbraw/zinc/67/06/11/528670611.db2.gz MPLAAZYHCBWPCC-ZKXLYKBJSA-N 2 1 296.499 3.148 20 0 CGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[NH2+]C)oc21 ZINC000423199376 528698170 /nfs/dbraw/zinc/69/81/70/528698170.db2.gz JYPWBMNWZFJWLU-GFCCVEGCSA-N 2 1 276.380 3.092 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423302899 528820562 /nfs/dbraw/zinc/82/05/62/528820562.db2.gz WFNIOQMUIWYEMA-ZFWWWQNUSA-N 2 1 274.408 3.471 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000423297507 528823151 /nfs/dbraw/zinc/82/31/51/528823151.db2.gz KOFVLSMMMHLULX-HIFRSBDPSA-N 2 1 264.413 3.253 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000423286373 528953510 /nfs/dbraw/zinc/95/35/10/528953510.db2.gz GVXSNRBLFSNALU-CYBMUJFWSA-N 2 1 294.439 3.180 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000423297101 528955825 /nfs/dbraw/zinc/95/58/25/528955825.db2.gz ITPXDXDZJDKLMI-NWDGAFQWSA-N 2 1 294.468 3.111 20 0 CGADMP CC(C)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cc2ccccc2o1 ZINC000423452452 529126165 /nfs/dbraw/zinc/12/61/65/529126165.db2.gz WJMHSFHWKMENQK-HSMVNMDESA-N 2 1 260.381 3.455 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccccc1Br ZINC000423277581 529172382 /nfs/dbraw/zinc/17/23/82/529172382.db2.gz PZPPYVJSGLCEBB-SMDDNHRTSA-N 2 1 299.256 3.345 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423263590 529257067 /nfs/dbraw/zinc/25/70/67/529257067.db2.gz BDKKBCCRCXPIKS-TZMCWYRMSA-N 2 1 266.454 3.433 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC000459499122 535076602 /nfs/dbraw/zinc/07/66/02/535076602.db2.gz AMLORNGYLZPSKZ-UHFFFAOYSA-N 2 1 274.399 3.276 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@@H](C)C1 ZINC000459415371 535519613 /nfs/dbraw/zinc/51/96/13/535519613.db2.gz PHECWXIZLKYSDA-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)cc1F ZINC000486963487 535724716 /nfs/dbraw/zinc/72/47/16/535724716.db2.gz GOIOJHZJSBWEPW-HNNXBMFYSA-N 2 1 294.414 3.046 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc1F ZINC000486963487 535724720 /nfs/dbraw/zinc/72/47/20/535724720.db2.gz GOIOJHZJSBWEPW-HNNXBMFYSA-N 2 1 294.414 3.046 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000483494016 536170034 /nfs/dbraw/zinc/17/00/34/536170034.db2.gz TURGONXKWIICHT-RBUKOAKNSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000483494016 536170035 /nfs/dbraw/zinc/17/00/35/536170035.db2.gz TURGONXKWIICHT-RBUKOAKNSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000483494016 536170041 /nfs/dbraw/zinc/17/00/41/536170041.db2.gz TURGONXKWIICHT-RBUKOAKNSA-N 2 1 286.463 3.208 20 0 CGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccoc3)C2)c1 ZINC000727469768 571749906 /nfs/dbraw/zinc/74/99/06/571749906.db2.gz GGBYWUVXTQITCC-AWEZNQCLSA-N 2 1 290.432 3.343 20 0 CGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccoc3)C2)c1 ZINC000727469768 571749910 /nfs/dbraw/zinc/74/99/10/571749910.db2.gz GGBYWUVXTQITCC-AWEZNQCLSA-N 2 1 290.432 3.343 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc2ccccc2c1 ZINC000729681266 571928835 /nfs/dbraw/zinc/92/88/35/571928835.db2.gz LKZSGAYWDOJWQY-CQSZACIVSA-N 2 1 294.402 3.166 20 0 CGADMP C[NH+](C/C=C\C[N@@H+](C)CCC1CC1)CCC1CC1 ZINC000255223038 572434578 /nfs/dbraw/zinc/43/45/78/572434578.db2.gz BJRWDBFUSOPBND-ARJAWSKDSA-N 2 1 250.430 3.006 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)cn1 ZINC000806131565 617835437 /nfs/dbraw/zinc/83/54/37/617835437.db2.gz MBMLMKZLGYKLDN-HZPDHXFCSA-N 2 1 298.434 3.490 20 0 CGADMP C=C(Cl)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564108 618051420 /nfs/dbraw/zinc/05/14/20/618051420.db2.gz XBZSORBVVQDYEI-UHFFFAOYSA-N 2 1 270.848 3.327 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589469 618089443 /nfs/dbraw/zinc/08/94/43/618089443.db2.gz KUJJUICFSMEGIU-HZPDHXFCSA-N 2 1 278.827 3.477 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589469 618089445 /nfs/dbraw/zinc/08/94/45/618089445.db2.gz KUJJUICFSMEGIU-HZPDHXFCSA-N 2 1 278.827 3.477 20 0 CGADMP CSC1CC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000926118741 618106274 /nfs/dbraw/zinc/10/62/74/618106274.db2.gz BSURXEZMSHBUEX-RNDNHVFHSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891525874 618235969 /nfs/dbraw/zinc/23/59/69/618235969.db2.gz YUKBEOWZXPGPQW-GFCCVEGCSA-N 2 1 264.438 3.009 20 0 CGADMP COCCCC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000892098830 618528712 /nfs/dbraw/zinc/52/87/12/618528712.db2.gz RFHZIWWACLTDMU-QGZVFWFLSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC000235379771 618673981 /nfs/dbraw/zinc/67/39/81/618673981.db2.gz LVNKRYAABURFCW-OLZOCXBDSA-N 2 1 266.816 3.160 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Cl)s2)CC[NH2+]1 ZINC000235697677 618748618 /nfs/dbraw/zinc/74/86/18/618748618.db2.gz ULVFHPXTGVXGOK-QWRGUYRKSA-N 2 1 272.845 3.221 20 0 CGADMP Clc1csc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000093093295 618756624 /nfs/dbraw/zinc/75/66/24/618756624.db2.gz ZHXQZEQDJVMPHY-UHFFFAOYSA-N 2 1 272.845 3.367 20 0 CGADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000892460455 618790925 /nfs/dbraw/zinc/79/09/25/618790925.db2.gz CRWBELZIKBYSTD-UHFFFAOYSA-N 2 1 292.471 3.046 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000892510830 618825196 /nfs/dbraw/zinc/82/51/96/618825196.db2.gz VPAXMGOPTQROKB-YOEHRIQHSA-N 2 1 283.419 3.147 20 0 CGADMP COC1CCC(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000892584791 618867951 /nfs/dbraw/zinc/86/79/51/618867951.db2.gz NRWAWKYKTIMTAP-WWDZGPRUSA-N 2 1 296.499 3.293 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCCSC1)[NH+]1CCCC1 ZINC000783535658 618912604 /nfs/dbraw/zinc/91/26/04/618912604.db2.gz HBBWNVJKEPGGBZ-JKSUJKDBSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892758440 618932319 /nfs/dbraw/zinc/93/23/19/618932319.db2.gz OPKYWMSYMWRAPG-UHFFFAOYSA-N 2 1 291.345 3.006 20 0 CGADMP C[C@H]([NH2+]C[Si](C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750711 619065044 /nfs/dbraw/zinc/06/50/44/619065044.db2.gz HBHPPNIJVOGPHJ-UONOGXRCSA-N 2 1 268.521 3.106 20 0 CGADMP CCc1ccc([C@H](COC)[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)o1 ZINC000925623496 619093976 /nfs/dbraw/zinc/09/39/76/619093976.db2.gz SBLPCUFHPAQSRT-NFAWXSAZSA-N 2 1 294.439 3.025 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccccc1 ZINC000925624591 619094577 /nfs/dbraw/zinc/09/45/77/619094577.db2.gz ZZICHRLVOVBTDG-CJNGLKHVSA-N 2 1 258.409 3.245 20 0 CGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925783960 619246547 /nfs/dbraw/zinc/24/65/47/619246547.db2.gz QAQITVOGULYGAB-WFASDCNBSA-N 2 1 298.352 3.038 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccn1 ZINC000925786614 619247700 /nfs/dbraw/zinc/24/77/00/619247700.db2.gz XDOUOFSDDRPHAF-ZFWWWQNUSA-N 2 1 297.393 3.003 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925810489 619258683 /nfs/dbraw/zinc/25/86/83/619258683.db2.gz ALGIBOWTQCHMBU-IJEWVQPXSA-N 2 1 273.424 3.313 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)ccc1OC ZINC000925825919 619274211 /nfs/dbraw/zinc/27/42/11/619274211.db2.gz CBNAYCPYNKUYSA-ZFWWWQNUSA-N 2 1 280.387 3.017 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)oc1C ZINC000925841973 619291391 /nfs/dbraw/zinc/29/13/91/619291391.db2.gz VLORKMRDBDUPOQ-DAXOMENPSA-N 2 1 262.397 3.079 20 0 CGADMP CC[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251693537 619389324 /nfs/dbraw/zinc/38/93/24/619389324.db2.gz IMXIRZXVWMJABE-WZYMTQMTSA-N 2 1 250.430 3.029 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000895823165 619891039 /nfs/dbraw/zinc/89/10/39/619891039.db2.gz USFPQYOJXNUKNB-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000262382357 620091444 /nfs/dbraw/zinc/09/14/44/620091444.db2.gz YWQUTVYPSVTLAR-MOPGFXCFSA-N 2 1 296.414 3.458 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000925143987 620179833 /nfs/dbraw/zinc/17/98/33/620179833.db2.gz RWRLQTMWXFUVFV-YDHLFZDLSA-N 2 1 271.408 3.301 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000925143987 620179836 /nfs/dbraw/zinc/17/98/36/620179836.db2.gz RWRLQTMWXFUVFV-YDHLFZDLSA-N 2 1 271.408 3.301 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000897414479 620295928 /nfs/dbraw/zinc/29/59/28/620295928.db2.gz CYAQHXXCEKLBDE-IIAWOOMASA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000897414479 620295934 /nfs/dbraw/zinc/29/59/34/620295934.db2.gz CYAQHXXCEKLBDE-IIAWOOMASA-N 2 1 276.424 3.137 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000924688840 620563670 /nfs/dbraw/zinc/56/36/70/620563670.db2.gz VXFOWASZLCCCOO-UONOGXRCSA-N 2 1 293.455 3.454 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCOCC1 ZINC000903017249 621519353 /nfs/dbraw/zinc/51/93/53/621519353.db2.gz QOWMAGTXQSGSPB-GOSISDBHSA-N 2 1 296.499 3.292 20 0 CGADMP FC1(F)CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903167627 621617854 /nfs/dbraw/zinc/61/78/54/621617854.db2.gz MXUKLXDNZJXMJO-IKKMQULASA-N 2 1 284.394 3.169 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC(F)(F)F ZINC000903186596 621627474 /nfs/dbraw/zinc/62/74/74/621627474.db2.gz SAYYAMAEGPPKLR-WDFAYWTNSA-N 2 1 290.373 3.322 20 0 CGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1C[C@H]1C1CC1 ZINC000903379576 621722241 /nfs/dbraw/zinc/72/22/41/621722241.db2.gz YIKOCMSQAFWMSI-QCSYZSNVSA-N 2 1 287.451 3.099 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903427308 621741572 /nfs/dbraw/zinc/74/15/72/621741572.db2.gz VJSJHJAYWWHCKS-UWWQBHOKSA-N 2 1 288.435 3.078 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439024 621747878 /nfs/dbraw/zinc/74/78/78/621747878.db2.gz BLIQPITTWGSIJW-WVZRYYJFSA-N 2 1 276.399 3.064 20 0 CGADMP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439723 621749098 /nfs/dbraw/zinc/74/90/98/621749098.db2.gz MZQOLJSAFMNIIX-UWWPHRKUSA-N 2 1 276.399 3.336 20 0 CGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441265 621749828 /nfs/dbraw/zinc/74/98/28/621749828.db2.gz KEYNIXYMOBEBMR-WZRBSPASSA-N 2 1 280.362 3.011 20 0 CGADMP CCC[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC[NH2+]CC1 ZINC000903444550 621756308 /nfs/dbraw/zinc/75/63/08/621756308.db2.gz CACIZOHIWPDFMA-UHFFFAOYSA-N 2 1 271.408 3.132 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2[nH]1 ZINC000903445526 621757410 /nfs/dbraw/zinc/75/74/10/621757410.db2.gz LDCVLSXTLPSNQE-IAGOWNOFSA-N 2 1 283.419 3.132 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903450644 621760535 /nfs/dbraw/zinc/76/05/35/621760535.db2.gz ZDQQFOUGTNGICX-MUJYYYPQSA-N 2 1 294.389 3.129 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2[nH]1 ZINC000903454371 621761813 /nfs/dbraw/zinc/76/18/13/621761813.db2.gz ZCOYZZKLQRGLDN-FUHWJXTLSA-N 2 1 283.419 3.132 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC000903476689 621764355 /nfs/dbraw/zinc/76/43/55/621764355.db2.gz GHFJXMJFDVFMHI-XHDPSFHLSA-N 2 1 298.352 3.191 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903728649 621796662 /nfs/dbraw/zinc/79/66/62/621796662.db2.gz DCIFJUQHOLVVFS-DOTOQJQBSA-N 2 1 288.435 3.222 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1cc(F)ccc1F ZINC000903760182 621802681 /nfs/dbraw/zinc/80/26/81/621802681.db2.gz VXNQGTSPWQZALO-BLLLJJGKSA-N 2 1 282.378 3.395 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903763443 621803136 /nfs/dbraw/zinc/80/31/36/621803136.db2.gz JYUAKXWTZSBLDW-ULQDDVLXSA-N 2 1 294.483 3.046 20 0 CGADMP CCCCC[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764536 621803355 /nfs/dbraw/zinc/80/33/55/621803355.db2.gz URIQQZNAOKEDIV-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CC1(C)CCC(C)(C)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769814 621803539 /nfs/dbraw/zinc/80/35/39/621803539.db2.gz OONOFOYOZHOSKO-OAHLLOKOSA-N 2 1 294.483 3.046 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903768218 621803852 /nfs/dbraw/zinc/80/38/52/621803852.db2.gz MCETUMBJIDOXFP-KRWDZBQOSA-N 2 1 290.426 3.368 20 0 CGADMP CC(C)(C)c1cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)no1 ZINC000903791104 621804345 /nfs/dbraw/zinc/80/43/45/621804345.db2.gz MTLSOOOWETXHIT-UHFFFAOYSA-N 2 1 293.455 3.169 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[NH2+]CCC23CCOCC3)C1 ZINC000903818109 621810769 /nfs/dbraw/zinc/81/07/69/621810769.db2.gz WVYXUDJSOKEPLW-SJORKVTESA-N 2 1 294.483 3.047 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCc2ccccc2)CCC1 ZINC000903810323 621813393 /nfs/dbraw/zinc/81/33/93/621813393.db2.gz AXPQJZOKQSAVCR-QGZVFWFLSA-N 2 1 272.436 3.213 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccc3ccccc3c1)C2 ZINC000903843352 621819838 /nfs/dbraw/zinc/81/98/38/621819838.db2.gz JFTUPZXYUCHEGQ-IPELMVKDSA-N 2 1 280.415 3.194 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC000903847105 621820609 /nfs/dbraw/zinc/82/06/09/621820609.db2.gz SUFTZYMTFXJMDY-IMJJTQAJSA-N 2 1 278.827 3.084 20 0 CGADMP Clc1ccc(CCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903863649 621822017 /nfs/dbraw/zinc/82/20/17/621822017.db2.gz DCMZABPNWUZUPI-INIZCTEOSA-N 2 1 278.827 3.101 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903863649 621822020 /nfs/dbraw/zinc/82/20/20/621822020.db2.gz DCMZABPNWUZUPI-INIZCTEOSA-N 2 1 278.827 3.101 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903875940 621825339 /nfs/dbraw/zinc/82/53/39/621825339.db2.gz UJSOYYYMIZBPNX-IRXDYDNUSA-N 2 1 282.472 3.034 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879234 621825382 /nfs/dbraw/zinc/82/53/82/621825382.db2.gz WDVXIHSEPMAKKU-ZBSSRIJBSA-N 2 1 288.435 3.219 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000903898845 621829911 /nfs/dbraw/zinc/82/99/11/621829911.db2.gz QLIBJTYGQFSZPA-ZDUSSCGKSA-N 2 1 274.399 3.405 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000903898845 621829913 /nfs/dbraw/zinc/82/99/13/621829913.db2.gz QLIBJTYGQFSZPA-ZDUSSCGKSA-N 2 1 274.399 3.405 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000903938873 621834495 /nfs/dbraw/zinc/83/44/95/621834495.db2.gz OCNCTUVEGKOWTH-UHFFFAOYSA-N 2 1 295.858 3.157 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000903931648 621834622 /nfs/dbraw/zinc/83/46/22/621834622.db2.gz HGICCDZTLPXEEM-STQMWFEESA-N 2 1 260.372 3.014 20 0 CGADMP C/C=C\C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903935521 621835345 /nfs/dbraw/zinc/83/53/45/621835345.db2.gz QYANORXQZLJNLR-SONWMNPISA-N 2 1 262.441 3.195 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000903946630 621839836 /nfs/dbraw/zinc/83/98/36/621839836.db2.gz XKXHNXYMBCUNOD-UHFFFAOYSA-N 2 1 288.435 3.103 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC[NH2+]1 ZINC000903953399 621842729 /nfs/dbraw/zinc/84/27/29/621842729.db2.gz FEWHDVGSDUQTAS-XUXIUFHCSA-N 2 1 290.373 3.039 20 0 CGADMP C(C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)CC1CCCCC1 ZINC000903970458 621843881 /nfs/dbraw/zinc/84/38/81/621843881.db2.gz XKZQGQTUHWESTM-KRWDZBQOSA-N 2 1 294.483 3.095 20 0 CGADMP CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974277 621844246 /nfs/dbraw/zinc/84/42/46/621844246.db2.gz SVUDBOXJDLAGQN-BRWVUGGUSA-N 2 1 294.483 3.094 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304272 621901785 /nfs/dbraw/zinc/90/17/85/621901785.db2.gz XPAAAKLPMCFPCG-WVSHTKLVSA-N 2 1 273.207 3.163 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000904307655 621903143 /nfs/dbraw/zinc/90/31/43/621903143.db2.gz DFMNQWAZBHHVHZ-BYCMXARLSA-N 2 1 264.800 3.214 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000904311513 621903285 /nfs/dbraw/zinc/90/32/85/621903285.db2.gz DSRIXTILTUADAS-BMFZPTHFSA-N 2 1 283.419 3.085 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(OC(F)F)cc1C ZINC000904405134 621918452 /nfs/dbraw/zinc/91/84/52/621918452.db2.gz FIFQBEPHJSBKGS-CYBMUJFWSA-N 2 1 298.377 3.076 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000904406738 621918548 /nfs/dbraw/zinc/91/85/48/621918548.db2.gz YYUWNBVPHVGUOE-SECBINFHSA-N 2 1 291.197 3.303 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000904406738 621918549 /nfs/dbraw/zinc/91/85/49/621918549.db2.gz YYUWNBVPHVGUOE-SECBINFHSA-N 2 1 291.197 3.303 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000904411683 621918970 /nfs/dbraw/zinc/91/89/70/621918970.db2.gz WBXJYXJPPKZJLW-BFYDXBDKSA-N 2 1 260.425 3.097 20 0 CGADMP [NH3+]C1(C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000904443174 621922757 /nfs/dbraw/zinc/92/27/57/621922757.db2.gz HXHWZTWPDYKPTI-UHFFFAOYSA-N 2 1 287.234 3.397 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000904470521 621925930 /nfs/dbraw/zinc/92/59/30/621925930.db2.gz ZBVODNACKMNNPF-VXGBXAGGSA-N 2 1 264.800 3.044 20 0 CGADMP C[N@H+](CC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C1CCCCC1 ZINC000924802877 622057583 /nfs/dbraw/zinc/05/75/83/622057583.db2.gz OZKGKNCINFGOAL-SJLPKXTDSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C1CCCCC1 ZINC000924802877 622057588 /nfs/dbraw/zinc/05/75/88/622057588.db2.gz OZKGKNCINFGOAL-SJLPKXTDSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000152649967 623698417 /nfs/dbraw/zinc/69/84/17/623698417.db2.gz VKAITMNHHGRCMA-QGZVFWFLSA-N 2 1 288.435 3.147 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232934775 624454917 /nfs/dbraw/zinc/45/49/17/624454917.db2.gz ALUJBDKJTFVNFI-RDJZCZTQSA-N 2 1 260.425 3.285 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166344207 625797692 /nfs/dbraw/zinc/79/76/92/625797692.db2.gz WUTDCWGAIDOMCI-KBAYOESNSA-N 2 1 272.436 3.397 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)CCC[NH2+]C2CC2)c1 ZINC000923373554 626149527 /nfs/dbraw/zinc/14/95/27/626149527.db2.gz ORRISRRWNCOEFA-UHFFFAOYSA-N 2 1 276.424 3.048 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CCC[NH2+]C2CC2)c1 ZINC000923373554 626149528 /nfs/dbraw/zinc/14/95/28/626149528.db2.gz ORRISRRWNCOEFA-UHFFFAOYSA-N 2 1 276.424 3.048 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495667 626157988 /nfs/dbraw/zinc/15/79/88/626157988.db2.gz DRPMNDDZINVANT-XHBSWPGZSA-N 2 1 282.378 3.333 20 0 CGADMP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)o2)cc1 ZINC000923496821 626158481 /nfs/dbraw/zinc/15/84/81/626158481.db2.gz BQCMANGAJNVKEZ-ZBFHGGJFSA-N 2 1 299.418 3.067 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839182207 626326134 /nfs/dbraw/zinc/32/61/34/626326134.db2.gz LJTHNOYHHMHKCJ-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCOC2CCCCC2)CC1 ZINC000886307281 626358804 /nfs/dbraw/zinc/35/88/04/626358804.db2.gz OFRFQKLJNCIJJP-UHFFFAOYSA-N 2 1 282.472 3.142 20 0 CGADMP c1cc(C[N@H+]2CC[C@H]3C[C@H]32)cc(C[NH+]2CCCCC2)c1 ZINC000839533461 626757324 /nfs/dbraw/zinc/75/73/24/626757324.db2.gz UCJPYHGUEJLZBY-ZWKOTPCHSA-N 2 1 270.420 3.267 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000765358995 627246633 /nfs/dbraw/zinc/24/66/33/627246633.db2.gz JNOCWIBWAZXERF-WWGRRREGSA-N 2 1 264.388 3.002 20 0 CGADMP CCCCC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000765406749 627248460 /nfs/dbraw/zinc/24/84/60/627248460.db2.gz UPFUFUFYUOYCHK-ZACQAIPSSA-N 2 1 284.488 3.434 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000766248623 627306899 /nfs/dbraw/zinc/30/68/99/627306899.db2.gz LLFLPNKLLBCREG-UHFFFAOYSA-N 2 1 287.382 3.210 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000769486678 627559596 /nfs/dbraw/zinc/55/95/96/627559596.db2.gz VGFSZFMDVMZTKE-ZFWWWQNUSA-N 2 1 295.858 3.206 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000769486678 627559598 /nfs/dbraw/zinc/55/95/98/627559598.db2.gz VGFSZFMDVMZTKE-ZFWWWQNUSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000769486678 627559600 /nfs/dbraw/zinc/55/96/00/627559600.db2.gz VGFSZFMDVMZTKE-ZFWWWQNUSA-N 2 1 295.858 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)[C@@H](C)C1 ZINC000769486678 627559602 /nfs/dbraw/zinc/55/96/02/627559602.db2.gz VGFSZFMDVMZTKE-ZFWWWQNUSA-N 2 1 295.858 3.206 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000769870230 627585259 /nfs/dbraw/zinc/58/52/59/627585259.db2.gz FNNUSGLSEZKWIM-VXGBXAGGSA-N 2 1 290.411 3.037 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623461 628115373 /nfs/dbraw/zinc/11/53/73/628115373.db2.gz QOFSBHOOMREHFF-ZIAGYGMSSA-N 2 1 283.419 3.303 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CF)cc2)CCN1C ZINC000777596754 628288021 /nfs/dbraw/zinc/28/80/21/628288021.db2.gz YGXOAMNBYMAHAU-XJKSGUPXSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC000777596754 628288023 /nfs/dbraw/zinc/28/80/23/628288023.db2.gz YGXOAMNBYMAHAU-XJKSGUPXSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CF)cc2)CC[N@H+]1C ZINC000777596754 628288025 /nfs/dbraw/zinc/28/80/25/628288025.db2.gz YGXOAMNBYMAHAU-XJKSGUPXSA-N 2 1 264.388 3.071 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCc3ccccc32)C1 ZINC000780292933 628479131 /nfs/dbraw/zinc/47/91/31/628479131.db2.gz OJFWNXMSOVUHGD-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292933 628479136 /nfs/dbraw/zinc/47/91/36/628479136.db2.gz OJFWNXMSOVUHGD-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292933 628479139 /nfs/dbraw/zinc/47/91/39/628479139.db2.gz OJFWNXMSOVUHGD-SJLPKXTDSA-N 2 1 286.463 3.380 20 0 CGADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782182343 628621092 /nfs/dbraw/zinc/62/10/92/628621092.db2.gz BNLVRKBPUNMFSG-MRXNPFEDSA-N 2 1 274.452 3.200 20 0 CGADMP CC(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000783315216 628702928 /nfs/dbraw/zinc/70/29/28/628702928.db2.gz AETKUIPPPYNUPA-GDBMZVCRSA-N 2 1 260.425 3.382 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CC2(C)C)cn1 ZINC000785423502 628861052 /nfs/dbraw/zinc/86/10/52/628861052.db2.gz LKEORQNYNINTID-DOMZBBRYSA-N 2 1 284.407 3.100 20 0 CGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000788482920 629058240 /nfs/dbraw/zinc/05/82/40/629058240.db2.gz YYQBYWAIGILVJB-IAGOWNOFSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cnc1Cl ZINC000789559311 629145190 /nfs/dbraw/zinc/14/51/90/629145190.db2.gz KRLWNFGVSMHYNC-UHFFFAOYSA-N 2 1 293.842 3.104 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cnc1Cl ZINC000789559311 629145191 /nfs/dbraw/zinc/14/51/91/629145191.db2.gz KRLWNFGVSMHYNC-UHFFFAOYSA-N 2 1 293.842 3.104 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334709 629661771 /nfs/dbraw/zinc/66/17/71/629661771.db2.gz DTXFXKRKFRMHJZ-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334709 629661773 /nfs/dbraw/zinc/66/17/73/629661773.db2.gz DTXFXKRKFRMHJZ-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334709 629661776 /nfs/dbraw/zinc/66/17/76/629661776.db2.gz DTXFXKRKFRMHJZ-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334709 629661780 /nfs/dbraw/zinc/66/17/80/629661780.db2.gz DTXFXKRKFRMHJZ-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796774431 629830997 /nfs/dbraw/zinc/83/09/97/629830997.db2.gz FEZJMMYXNCKVSQ-KBRIMQKVSA-N 2 1 276.399 3.097 20 0 CGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002692 630014151 /nfs/dbraw/zinc/01/41/51/630014151.db2.gz PGFDHNONXVEICG-NUJGCVRESA-N 2 1 294.483 3.188 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000865436170 630123583 /nfs/dbraw/zinc/12/35/83/630123583.db2.gz WPUAFFFSWBOFCJ-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000865436170 630123589 /nfs/dbraw/zinc/12/35/89/630123589.db2.gz WPUAFFFSWBOFCJ-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000865476151 630141853 /nfs/dbraw/zinc/14/18/53/630141853.db2.gz UQTDRJMDTDGKKK-RISCZKNCSA-N 2 1 266.816 3.221 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2C)C1 ZINC000815560279 631795044 /nfs/dbraw/zinc/79/50/44/631795044.db2.gz CNCIEFSHILVUMD-KGLIPLIRSA-N 2 1 264.388 3.127 20 0 CGADMP CCC(CC)(C[NH2+][C@@H](C)c1c[nH+]ccc1N)SC ZINC000817897918 632231652 /nfs/dbraw/zinc/23/16/52/632231652.db2.gz ASESIJOBQBENCM-NSHDSACASA-N 2 1 267.442 3.067 20 0 CGADMP N[C@@H]1CCCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900263 632232060 /nfs/dbraw/zinc/23/20/60/632232060.db2.gz LTJDYLDQROVVRZ-OPQOLIRYSA-N 2 1 293.499 3.033 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc2c(c1)CCO2 ZINC000817958691 632253255 /nfs/dbraw/zinc/25/32/55/632253255.db2.gz LRIZUPICKRFDAW-HOTGVXAUSA-N 2 1 276.424 3.036 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc2c(c1)CCO2 ZINC000817958690 632253973 /nfs/dbraw/zinc/25/39/73/632253973.db2.gz LRIZUPICKRFDAW-CVEARBPZSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccnc1Cl ZINC000817969247 632262762 /nfs/dbraw/zinc/26/27/62/632262762.db2.gz SPOYHTQDKDMQOT-LLVKDONJSA-N 2 1 287.794 3.189 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820811390 632680750 /nfs/dbraw/zinc/68/07/50/632680750.db2.gz PONTVGLPVVZKGF-PLGXSJHXSA-N 2 1 289.423 3.100 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820811390 632680757 /nfs/dbraw/zinc/68/07/57/632680757.db2.gz PONTVGLPVVZKGF-PLGXSJHXSA-N 2 1 289.423 3.100 20 0 CGADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000821372886 632759588 /nfs/dbraw/zinc/75/95/88/632759588.db2.gz AUGFQYFDIQZITK-ZJPYXAASSA-N 2 1 294.483 3.140 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CC2(Cl)Cl)C[C@@H]1C ZINC000822664556 633002161 /nfs/dbraw/zinc/00/21/61/633002161.db2.gz TXJCNBOYUBVRHI-XQQFMLRXSA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CC2(Cl)Cl)C[C@@H]1C ZINC000822664556 633002170 /nfs/dbraw/zinc/00/21/70/633002170.db2.gz TXJCNBOYUBVRHI-XQQFMLRXSA-N 2 1 293.282 3.375 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000866372171 633108474 /nfs/dbraw/zinc/10/84/74/633108474.db2.gz DVOKIKNENDGOBJ-IAGOWNOFSA-N 2 1 274.452 3.248 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561592 633191840 /nfs/dbraw/zinc/19/18/40/633191840.db2.gz HUEZCGQTICELMM-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561592 633191843 /nfs/dbraw/zinc/19/18/43/633191843.db2.gz HUEZCGQTICELMM-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)CC(C)(C)C ZINC000866668705 633229736 /nfs/dbraw/zinc/22/97/36/633229736.db2.gz IQFOHYAZIMLFGE-MWDXBVQZSA-N 2 1 296.499 3.420 20 0 CGADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697128 633232712 /nfs/dbraw/zinc/23/27/12/633232712.db2.gz GMLGESHILAFTBT-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000872020721 633941466 /nfs/dbraw/zinc/94/14/66/633941466.db2.gz JQZFJTXJXIKFRF-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000872068416 633990999 /nfs/dbraw/zinc/99/09/99/633990999.db2.gz HIFUWKATQZIZIO-NEPJUHHUSA-N 2 1 268.367 3.427 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000872078872 634001680 /nfs/dbraw/zinc/00/16/80/634001680.db2.gz TVUPQKXTHVYGRV-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000872078872 634001686 /nfs/dbraw/zinc/00/16/86/634001686.db2.gz TVUPQKXTHVYGRV-HUUCEWRRSA-N 2 1 282.472 3.044 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000872156445 634068101 /nfs/dbraw/zinc/06/81/01/634068101.db2.gz JWOVSJOAQUOYKU-ZBFHGGJFSA-N 2 1 250.430 3.016 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000872158222 634069332 /nfs/dbraw/zinc/06/93/32/634069332.db2.gz UCVHITWHEVDHMZ-CRAIPNDOSA-N 2 1 287.451 3.201 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278902 634098374 /nfs/dbraw/zinc/09/83/74/634098374.db2.gz BFFGDZRKMNCKCP-GOSISDBHSA-N 2 1 294.483 3.286 20 0 CGADMP c1c[nH+]c([C@@H]2CCCN(c3cc[nH+]cc3C3CC3)C2)[nH]1 ZINC000872440920 634146038 /nfs/dbraw/zinc/14/60/38/634146038.db2.gz CFASSPNYUBISRW-CYBMUJFWSA-N 2 1 268.364 3.066 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cscc1Cl ZINC000873231420 634293505 /nfs/dbraw/zinc/29/35/05/634293505.db2.gz IIMLFSXSQLTICR-UHFFFAOYSA-N 2 1 260.834 3.352 20 0 CGADMP Cn1ccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232660 634293732 /nfs/dbraw/zinc/29/37/32/634293732.db2.gz VCYCHSPVWBGWRM-CRAIPNDOSA-N 2 1 289.467 3.145 20 0 CGADMP Cn1ccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232663 634294086 /nfs/dbraw/zinc/29/40/86/634294086.db2.gz VCYCHSPVWBGWRM-YJBOKZPZSA-N 2 1 289.467 3.145 20 0 CGADMP CCC(CC)(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000873249174 634299534 /nfs/dbraw/zinc/29/95/34/634299534.db2.gz LJHXCSAKKZIREU-WDEREUQCSA-N 2 1 266.351 3.085 20 0 CGADMP COc1c(C)cc(C[NH2+]CC2([NH3+])CCCCC2)cc1C ZINC000841039390 635112052 /nfs/dbraw/zinc/11/20/52/635112052.db2.gz NKEIWRZYNGTUDF-UHFFFAOYSA-N 2 1 276.424 3.063 20 0 CGADMP Clc1csc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841090371 635120777 /nfs/dbraw/zinc/12/07/77/635120777.db2.gz ONKNTFLONGVCAX-LLVKDONJSA-N 2 1 270.829 3.166 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@H]21 ZINC000877738851 635172700 /nfs/dbraw/zinc/17/27/00/635172700.db2.gz DHIYJXUDMNZEGC-HUUCEWRRSA-N 2 1 280.362 3.150 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@H]21 ZINC000877738851 635172705 /nfs/dbraw/zinc/17/27/05/635172705.db2.gz DHIYJXUDMNZEGC-HUUCEWRRSA-N 2 1 280.362 3.150 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)CC[C@H]21 ZINC000877738851 635172710 /nfs/dbraw/zinc/17/27/10/635172710.db2.gz DHIYJXUDMNZEGC-HUUCEWRRSA-N 2 1 280.362 3.150 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)CC[C@H]21 ZINC000877738851 635172714 /nfs/dbraw/zinc/17/27/14/635172714.db2.gz DHIYJXUDMNZEGC-HUUCEWRRSA-N 2 1 280.362 3.150 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000877743126 635179574 /nfs/dbraw/zinc/17/95/74/635179574.db2.gz ILDKLKJQPMTZBW-DZGCQCFKSA-N 2 1 298.352 3.231 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000877743126 635179577 /nfs/dbraw/zinc/17/95/77/635179577.db2.gz ILDKLKJQPMTZBW-DZGCQCFKSA-N 2 1 298.352 3.231 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000877743126 635179580 /nfs/dbraw/zinc/17/95/80/635179580.db2.gz ILDKLKJQPMTZBW-DZGCQCFKSA-N 2 1 298.352 3.231 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000877743126 635179584 /nfs/dbraw/zinc/17/95/84/635179584.db2.gz ILDKLKJQPMTZBW-DZGCQCFKSA-N 2 1 298.352 3.231 20 0 CGADMP Cc1ccncc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767219 635193167 /nfs/dbraw/zinc/19/31/67/635193167.db2.gz CLOLLNPPGFAHCQ-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC(C)(C)O2)C[C@H]1C ZINC000878164032 635387509 /nfs/dbraw/zinc/38/75/09/635387509.db2.gz ZIDJWCJDTBZOHZ-OWCLPIDISA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCC(C)(C)O2)C[C@H]1C ZINC000878164032 635387515 /nfs/dbraw/zinc/38/75/15/635387515.db2.gz ZIDJWCJDTBZOHZ-OWCLPIDISA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCC(C)(C)O2)C[C@H]1C ZINC000878164032 635387524 /nfs/dbraw/zinc/38/75/24/635387524.db2.gz ZIDJWCJDTBZOHZ-OWCLPIDISA-N 2 1 282.472 3.139 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843047196 635550223 /nfs/dbraw/zinc/55/02/23/635550223.db2.gz JLURFKACTPDZDF-GFCCVEGCSA-N 2 1 286.391 3.172 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843047196 635550235 /nfs/dbraw/zinc/55/02/35/635550235.db2.gz JLURFKACTPDZDF-GFCCVEGCSA-N 2 1 286.391 3.172 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1C1CC1 ZINC000843054218 635551233 /nfs/dbraw/zinc/55/12/33/635551233.db2.gz SKUZEDZTVIMJCA-ALOPSCKCSA-N 2 1 270.420 3.408 20 0 CGADMP C[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608304 635567251 /nfs/dbraw/zinc/56/72/51/635567251.db2.gz OEKGGMZTSAXEMC-JZWPEALZSA-N 2 1 294.483 3.137 20 0 CGADMP C[NH+](C[C@H]1CC(C)(C)OC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608304 635567259 /nfs/dbraw/zinc/56/72/59/635567259.db2.gz OEKGGMZTSAXEMC-JZWPEALZSA-N 2 1 294.483 3.137 20 0 CGADMP C[NH+](C[C@H]1CC(C)(C)OC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608304 635567266 /nfs/dbraw/zinc/56/72/66/635567266.db2.gz OEKGGMZTSAXEMC-JZWPEALZSA-N 2 1 294.483 3.137 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCSC3CCCCC3)CC[C@@H]21 ZINC000879579871 635816545 /nfs/dbraw/zinc/81/65/45/635816545.db2.gz CKZCEXBGGJGENT-HOCLYGCPSA-N 2 1 282.497 3.078 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCSC3CCCCC3)CC[C@@H]21 ZINC000879579871 635816549 /nfs/dbraw/zinc/81/65/49/635816549.db2.gz CKZCEXBGGJGENT-HOCLYGCPSA-N 2 1 282.497 3.078 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCSC3CCCCC3)CC[C@@H]21 ZINC000879579871 635816556 /nfs/dbraw/zinc/81/65/56/635816556.db2.gz CKZCEXBGGJGENT-HOCLYGCPSA-N 2 1 282.497 3.078 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCSC3CCCCC3)CC[C@@H]21 ZINC000879579871 635816561 /nfs/dbraw/zinc/81/65/61/635816561.db2.gz CKZCEXBGGJGENT-HOCLYGCPSA-N 2 1 282.497 3.078 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000844222051 635833228 /nfs/dbraw/zinc/83/32/28/635833228.db2.gz RNPYXQNHPPMTEE-INIZCTEOSA-N 2 1 261.413 3.128 20 0 CGADMP Cc1cncc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000879749749 635852690 /nfs/dbraw/zinc/85/26/90/635852690.db2.gz KYCNBXLUCWEOKG-SJORKVTESA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000879749749 635852695 /nfs/dbraw/zinc/85/26/95/635852695.db2.gz KYCNBXLUCWEOKG-SJORKVTESA-N 2 1 273.424 3.011 20 0 CGADMP Cc1cncc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000879749749 635852700 /nfs/dbraw/zinc/85/27/00/635852700.db2.gz KYCNBXLUCWEOKG-SJORKVTESA-N 2 1 273.424 3.011 20 0 CGADMP CC1(C)CC[C@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)O1 ZINC000879950957 635885920 /nfs/dbraw/zinc/88/59/20/635885920.db2.gz FLLANZPCJRPZPG-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442769 635903225 /nfs/dbraw/zinc/90/32/25/635903225.db2.gz ZSAXHXKQPQDDDZ-AWEZNQCLSA-N 2 1 283.366 3.093 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442769 635903229 /nfs/dbraw/zinc/90/32/29/635903229.db2.gz ZSAXHXKQPQDDDZ-AWEZNQCLSA-N 2 1 283.366 3.093 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442769 635903233 /nfs/dbraw/zinc/90/32/33/635903233.db2.gz ZSAXHXKQPQDDDZ-AWEZNQCLSA-N 2 1 283.366 3.093 20 0 CGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC000846220643 636162956 /nfs/dbraw/zinc/16/29/56/636162956.db2.gz STFQPVOWKCRQRK-NFXOHUDVSA-N 2 1 292.854 3.411 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(SC(F)F)cc1 ZINC000846701447 636219362 /nfs/dbraw/zinc/21/93/62/636219362.db2.gz ALOPLRJCDMSQKF-JQWIXIFHSA-N 2 1 286.391 3.313 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000846701447 636219364 /nfs/dbraw/zinc/21/93/64/636219364.db2.gz ALOPLRJCDMSQKF-JQWIXIFHSA-N 2 1 286.391 3.313 20 0 CGADMP FC(F)Sc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000848546131 636599635 /nfs/dbraw/zinc/59/96/35/636599635.db2.gz SUANYVSBRWGBHP-UHFFFAOYSA-N 2 1 286.391 3.187 20 0 CGADMP CCC[C@H](C)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883257582 636626779 /nfs/dbraw/zinc/62/67/79/636626779.db2.gz FWXGEOQRWODLJR-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)cc1 ZINC000848996535 636709543 /nfs/dbraw/zinc/70/95/43/636709543.db2.gz CMCGUUSESYJZEM-QWHCGFSZSA-N 2 1 276.428 3.086 20 0 CGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000849063846 636737615 /nfs/dbraw/zinc/73/76/15/636737615.db2.gz QUIZKNREIJLCSR-HZPDHXFCSA-N 2 1 296.503 3.047 20 0 CGADMP CC1(C)C[C@@H](C[NH2+][C@@H](C[NH3+])C2CCCCC2)C(C)(C)O1 ZINC000883430371 636753969 /nfs/dbraw/zinc/75/39/69/636753969.db2.gz UABHKTNFINLIIX-GJZGRUSLSA-N 2 1 282.472 3.077 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000883439559 636756851 /nfs/dbraw/zinc/75/68/51/636756851.db2.gz VEJKECQVGRRRJS-KDOFPFPSSA-N 2 1 296.499 3.277 20 0 CGADMP CC(C)[NH+](CCSCCCc1c[nH+]cn1C)C(C)C ZINC000849889478 636900490 /nfs/dbraw/zinc/90/04/90/636900490.db2.gz HEXIHIBIPICGAC-UHFFFAOYSA-N 2 1 283.485 3.205 20 0 CGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3C=CCC3)CC2)cc1 ZINC000850359536 637027644 /nfs/dbraw/zinc/02/76/44/637027644.db2.gz KGLABYBPOIXBTP-KRWDZBQOSA-N 2 1 288.410 3.141 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C=CCC1 ZINC000850511647 637097300 /nfs/dbraw/zinc/09/73/00/637097300.db2.gz KJXIGOINNDEGLC-NJAFHUGGSA-N 2 1 270.420 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C=CCC1 ZINC000850511647 637097306 /nfs/dbraw/zinc/09/73/06/637097306.db2.gz KJXIGOINNDEGLC-NJAFHUGGSA-N 2 1 270.420 3.205 20 0 CGADMP Fc1cccc(/C=C/C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000885924085 637314836 /nfs/dbraw/zinc/31/48/36/637314836.db2.gz GVGNYVFUICBTAC-UPXOEVQQSA-N 2 1 274.383 3.055 20 0 CGADMP Fc1cccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000885924085 637314840 /nfs/dbraw/zinc/31/48/40/637314840.db2.gz GVGNYVFUICBTAC-UPXOEVQQSA-N 2 1 274.383 3.055 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1cnn(C)c1 ZINC000886534322 637560096 /nfs/dbraw/zinc/56/00/96/637560096.db2.gz GBIRIUMJMCASRD-KRWDZBQOSA-N 2 1 294.487 3.216 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCCCCCCO)CC2)[nH+]c1C ZINC000886665576 637641058 /nfs/dbraw/zinc/64/10/58/637641058.db2.gz BETCLCUJBUQVOR-UHFFFAOYSA-N 2 1 293.455 3.149 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCc2ccccc21 ZINC000852760939 637708335 /nfs/dbraw/zinc/70/83/35/637708335.db2.gz OWTZFCRXQXQGMX-INIZCTEOSA-N 2 1 260.425 3.167 20 0 CGADMP c1ccc(CCC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886867447 637715492 /nfs/dbraw/zinc/71/54/92/637715492.db2.gz FLSVAYWXPOOXPI-GOSISDBHSA-N 2 1 272.436 3.085 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000853248410 637794140 /nfs/dbraw/zinc/79/41/40/637794140.db2.gz GACMFEJKBSRRMW-CJNGLKHVSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000854229434 638028962 /nfs/dbraw/zinc/02/89/62/638028962.db2.gz NPUYGZDALDQZEP-BODMPHMZSA-N 2 1 288.435 3.065 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924526823 638350389 /nfs/dbraw/zinc/35/03/89/638350389.db2.gz HFBFRELJCRZLEF-INIZCTEOSA-N 3 1 291.483 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924766280 638400743 /nfs/dbraw/zinc/40/07/43/638400743.db2.gz PAJXNCJNHNBHPQ-WMTDPASSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924766280 638400750 /nfs/dbraw/zinc/40/07/50/638400750.db2.gz PAJXNCJNHNBHPQ-WMTDPASSSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C1CC1)C(C)(C)C ZINC000924953206 638429195 /nfs/dbraw/zinc/42/91/95/638429195.db2.gz QIROARBCBLSZFA-IUODEOHRSA-N 2 1 263.429 3.242 20 0 CGADMP Clc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000857087288 638456728 /nfs/dbraw/zinc/45/67/28/638456728.db2.gz RVOVHRDBRSMOTB-NWDGAFQWSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000857087288 638456733 /nfs/dbraw/zinc/45/67/33/638456733.db2.gz RVOVHRDBRSMOTB-NWDGAFQWSA-N 2 1 299.871 3.008 20 0 CGADMP c1ccc(C([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000034112549 638484614 /nfs/dbraw/zinc/48/46/14/638484614.db2.gz HYFUTPVLSHUORX-UHFFFAOYSA-N 2 1 266.388 3.118 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925517328 638516677 /nfs/dbraw/zinc/51/66/77/638516677.db2.gz NQFFHOWSSQIOPN-PBHICJAKSA-N 2 1 288.435 3.063 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925553366 638527195 /nfs/dbraw/zinc/52/71/95/638527195.db2.gz PJAVLAQPDCSBGR-IKGGRYGDSA-N 3 1 295.515 3.137 20 0 CGADMP CCOCCC1(C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CCC1 ZINC000925582452 638537443 /nfs/dbraw/zinc/53/74/43/638537443.db2.gz FHQFJFWJHCWBBX-NVXWUHKLSA-N 2 1 290.451 3.261 20 0 CGADMP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cccc(C2CC2)c1 ZINC000925676687 638566021 /nfs/dbraw/zinc/56/60/21/638566021.db2.gz SMDBDHSFNFIRRA-WDTHFRHYSA-N 2 1 282.431 3.211 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(C(F)(F)F)nc1 ZINC000925729674 638585758 /nfs/dbraw/zinc/58/57/58/638585758.db2.gz KSCAIQAWVBCGPN-XWIASGKRSA-N 2 1 299.340 3.021 20 0 CGADMP CCC(CC)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(F)(F)F ZINC000925735795 638589489 /nfs/dbraw/zinc/58/94/89/638589489.db2.gz XWPYUNDJUFUALL-LLVKDONJSA-N 2 1 278.362 3.229 20 0 CGADMP CCC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCC1 ZINC000925789599 638614938 /nfs/dbraw/zinc/61/49/38/638614938.db2.gz ALACINVFZHGGFI-IAGOWNOFSA-N 2 1 294.483 3.094 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2F)CC1(C)C ZINC000858089109 638624414 /nfs/dbraw/zinc/62/44/14/638624414.db2.gz FVOSAJKDLPPDGM-AWEZNQCLSA-N 2 1 294.414 3.057 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1OC ZINC000925826271 638624777 /nfs/dbraw/zinc/62/47/77/638624777.db2.gz GOVLWFSFBVIFJK-WWGRRREGSA-N 2 1 294.414 3.263 20 0 CGADMP FCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926347852 638764884 /nfs/dbraw/zinc/76/48/84/638764884.db2.gz KCLSAWHIFQLNHE-ALOPSCKCSA-N 2 1 276.399 3.131 20 0 CGADMP FCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926347852 638764885 /nfs/dbraw/zinc/76/48/85/638764885.db2.gz KCLSAWHIFQLNHE-ALOPSCKCSA-N 2 1 276.399 3.131 20 0 CGADMP FCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926347852 638764887 /nfs/dbraw/zinc/76/48/87/638764887.db2.gz KCLSAWHIFQLNHE-ALOPSCKCSA-N 2 1 276.399 3.131 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(CCc2cccc(F)c2)C1 ZINC000929779747 638950083 /nfs/dbraw/zinc/95/00/83/638950083.db2.gz OASPBWLNCDSVRM-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(F)c2)C1 ZINC000929779747 638950085 /nfs/dbraw/zinc/95/00/85/638950085.db2.gz OASPBWLNCDSVRM-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(F)c2)C1 ZINC000929779747 638950087 /nfs/dbraw/zinc/95/00/87/638950087.db2.gz OASPBWLNCDSVRM-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC000929779747 638950089 /nfs/dbraw/zinc/95/00/89/638950089.db2.gz OASPBWLNCDSVRM-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000929779747 638950091 /nfs/dbraw/zinc/95/00/91/638950091.db2.gz OASPBWLNCDSVRM-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2CF)C1 ZINC000929780536 638950291 /nfs/dbraw/zinc/95/02/91/638950291.db2.gz OHMOSOWLQNBLBJ-OAHLLOKOSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2CF)C1 ZINC000929780536 638950293 /nfs/dbraw/zinc/95/02/93/638950293.db2.gz OHMOSOWLQNBLBJ-OAHLLOKOSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2CF)C1 ZINC000929780536 638950294 /nfs/dbraw/zinc/95/02/94/638950294.db2.gz OHMOSOWLQNBLBJ-OAHLLOKOSA-N 2 1 278.415 3.320 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000929780536 638950296 /nfs/dbraw/zinc/95/02/96/638950296.db2.gz OHMOSOWLQNBLBJ-OAHLLOKOSA-N 2 1 278.415 3.320 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3CF)CC[C@@H]21 ZINC000929846167 638956340 /nfs/dbraw/zinc/95/63/40/638956340.db2.gz HCNPDWDVZAABMO-SJORKVTESA-N 2 1 276.399 3.072 20 0 CGADMP C[C@H](C1CC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000930266129 638986809 /nfs/dbraw/zinc/98/68/09/638986809.db2.gz IWKKPWOCNOWQAI-CYBMUJFWSA-N 2 1 273.424 3.197 20 0 CGADMP C[N@@H+](C[C@H]1CCCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930458634 639003132 /nfs/dbraw/zinc/00/31/32/639003132.db2.gz BQHGXHSKAFQYPD-FCLJQHQZSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+](C[C@H]1CCCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930458634 639003137 /nfs/dbraw/zinc/00/31/37/639003137.db2.gz BQHGXHSKAFQYPD-FCLJQHQZSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+](C[C@H]1CCCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930458634 639003140 /nfs/dbraw/zinc/00/31/40/639003140.db2.gz BQHGXHSKAFQYPD-FCLJQHQZSA-N 2 1 292.467 3.035 20 0 CGADMP CCCC[N@@H+](CCCCO)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033559 639101289 /nfs/dbraw/zinc/10/12/89/639101289.db2.gz IGHJZBQAMZVMGW-UHFFFAOYSA-N 2 1 284.488 3.170 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@H]2C=CCCC2)cc1 ZINC000859214839 639110997 /nfs/dbraw/zinc/11/09/97/639110997.db2.gz PHJMOTXXIYQVHP-KRWDZBQOSA-N 2 1 258.409 3.289 20 0 CGADMP C(C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC000931286054 639130732 /nfs/dbraw/zinc/13/07/32/639130732.db2.gz HNHQSSRZVIOKRD-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C(C[NH+]1CCC([N@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC000931286054 639130739 /nfs/dbraw/zinc/13/07/39/639130739.db2.gz HNHQSSRZVIOKRD-UHFFFAOYSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CCSc3ccccc3)C[C@@]2(C)C1 ZINC000931312157 639132603 /nfs/dbraw/zinc/13/26/03/639132603.db2.gz VNUAYQBCHRPESH-IAGOWNOFSA-N 2 1 290.476 3.052 20 0 CGADMP C[NH+](C)C1(C)CC[NH+](CCSC2CCCCC2)CC1 ZINC000931352180 639139573 /nfs/dbraw/zinc/13/95/73/639139573.db2.gz FZYZEKMICNMTLD-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000041665728 639906098 /nfs/dbraw/zinc/90/60/98/639906098.db2.gz ITLCCAQJDDERMZ-ZDUSSCGKSA-N 2 1 264.372 3.180 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000041665728 639906107 /nfs/dbraw/zinc/90/61/07/639906107.db2.gz ITLCCAQJDDERMZ-ZDUSSCGKSA-N 2 1 264.372 3.180 20 0 CGADMP C[C@@H]([N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000251029426 640820103 /nfs/dbraw/zinc/82/01/03/640820103.db2.gz HUNQVCKVLKTPQA-FFHGMXDLSA-N 2 1 252.446 3.274 20 0 CGADMP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000252431518 640845285 /nfs/dbraw/zinc/84/52/85/640845285.db2.gz KOJJBPRPTWVPEV-YYIAUSFCSA-N 2 1 276.468 3.419 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000415142064 640859818 /nfs/dbraw/zinc/85/98/18/640859818.db2.gz QRCSPVFMABHWBJ-GBESFXJTSA-N 2 1 284.447 3.325 20 0 CGADMP CCCc1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)nc(C)[nH+]1 ZINC001155549515 805591146 /nfs/dbraw/zinc/59/11/46/805591146.db2.gz NBQJXBXHMPKFLY-AEFFLSMTSA-N 2 1 296.418 3.253 20 0 CGADMP CC(C)N1CCC([N@H+]2CCC3(CCCC3)C2)CC1 ZINC001257216674 807063713 /nfs/dbraw/zinc/06/37/13/807063713.db2.gz HAOWVQSJSWVJEM-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCC3(CCCC3)C2)CC1 ZINC001257216674 807063719 /nfs/dbraw/zinc/06/37/19/807063719.db2.gz HAOWVQSJSWVJEM-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC3(CCCC3)C2)CC1 ZINC001257216674 807063725 /nfs/dbraw/zinc/06/37/25/807063725.db2.gz HAOWVQSJSWVJEM-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC2(CCN(c3cc(C4CC4)cc[nH+]3)CC2)CC1 ZINC001156576858 805715962 /nfs/dbraw/zinc/71/59/62/805715962.db2.gz YPUYHLLOBLUTOP-UHFFFAOYSA-N 2 1 285.435 3.271 20 0 CGADMP Cc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001158259690 805929033 /nfs/dbraw/zinc/92/90/33/805929033.db2.gz QQHVFYKFLWPZMB-XJKSGUPXSA-N 2 1 261.413 3.346 20 0 CGADMP COc1ccc2[nH+]c(NCC[C@H]3CCC[NH2+]3)cc(C)c2c1 ZINC001158627634 805979058 /nfs/dbraw/zinc/97/90/58/805979058.db2.gz MBHQRUMKKCFQSR-CYBMUJFWSA-N 2 1 285.391 3.106 20 0 CGADMP C[NH+](C)CCC(C)(C)Nc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001158759777 805998864 /nfs/dbraw/zinc/99/88/64/805998864.db2.gz BAKZCWDUCOPRRW-UHFFFAOYSA-N 2 1 286.423 3.194 20 0 CGADMP c1ccc2c(c1)cc[nH+]c2NCC12CC[NH+](CC1)CC2 ZINC001158824577 806008848 /nfs/dbraw/zinc/00/88/48/806008848.db2.gz QCZPLUPVZNVUBA-UHFFFAOYSA-N 2 1 267.376 3.133 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001159776110 806170592 /nfs/dbraw/zinc/17/05/92/806170592.db2.gz QRZKNUHCSJOBRN-OAHLLOKOSA-N 2 1 296.418 3.277 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1cc(C)ccc1C ZINC001253213152 806182489 /nfs/dbraw/zinc/18/24/89/806182489.db2.gz KRCNXRMCLZCRLZ-SJLPKXTDSA-N 2 1 292.467 3.047 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1ccc(Cl)cc1 ZINC001253203420 806182558 /nfs/dbraw/zinc/18/25/58/806182558.db2.gz GYVYDCCGQUHRJK-HOTGVXAUSA-N 2 1 298.858 3.083 20 0 CGADMP CC(C)(C)C[NH+]1CCC(Nc2ccc3c([nH+]2)CCC3)CC1 ZINC001161207376 806358602 /nfs/dbraw/zinc/35/86/02/806358602.db2.gz OHNZEQKJSWNYKY-UHFFFAOYSA-N 2 1 287.451 3.493 20 0 CGADMP CCC[NH+](CCC)CC[NH2+]C1CCC(F)(F)CC1 ZINC001254208170 806365043 /nfs/dbraw/zinc/36/50/43/806365043.db2.gz WRJCMJDGNQVRDB-UHFFFAOYSA-N 2 1 262.388 3.276 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC001254211462 806366529 /nfs/dbraw/zinc/36/65/29/806366529.db2.gz UAIUWVBBUFSGTL-STQMWFEESA-N 2 1 260.372 3.027 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC001254214115 806367958 /nfs/dbraw/zinc/36/79/58/806367958.db2.gz ZEGKYLUVRPTKOQ-ZDUSSCGKSA-N 2 1 274.399 3.417 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC001254214115 806367966 /nfs/dbraw/zinc/36/79/66/806367966.db2.gz ZEGKYLUVRPTKOQ-ZDUSSCGKSA-N 2 1 274.399 3.417 20 0 CGADMP Cc1cc2[nH]ccc2c(NCc2[nH+]cn3ccccc23)[nH+]1 ZINC001161684547 806419240 /nfs/dbraw/zinc/41/92/40/806419240.db2.gz VGGNONNLCCBDSX-UHFFFAOYSA-N 2 1 277.331 3.131 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC001254500027 806421001 /nfs/dbraw/zinc/42/10/01/806421001.db2.gz SLRZYCAJPOEHFI-ZDUSSCGKSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC001254500027 806421003 /nfs/dbraw/zinc/42/10/03/806421003.db2.gz SLRZYCAJPOEHFI-ZDUSSCGKSA-N 2 1 270.779 3.053 20 0 CGADMP Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CCC[N@H+](C)CC1 ZINC001254499344 806421633 /nfs/dbraw/zinc/42/16/33/806421633.db2.gz DNJVKGURPZJZIH-MRXNPFEDSA-N 2 1 285.435 3.108 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254508424 806427919 /nfs/dbraw/zinc/42/79/19/806427919.db2.gz QWAKGAIMYWWVKO-IAGOWNOFSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001254510358 806430108 /nfs/dbraw/zinc/43/01/08/806430108.db2.gz NLXMPUJYBLPMNW-QGZVFWFLSA-N 2 1 290.426 3.222 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)CC1 ZINC001254509956 806430995 /nfs/dbraw/zinc/43/09/95/806430995.db2.gz KPRBYWSGCBAGPX-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1ccc2cccc(C[NH2+][C@@H]3CCC[N@H+](C)CC3)c2n1 ZINC001254514877 806434695 /nfs/dbraw/zinc/43/46/95/806434695.db2.gz PDWFBLOTYTVZQN-QGZVFWFLSA-N 2 1 283.419 3.117 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524618 806437865 /nfs/dbraw/zinc/43/78/65/806437865.db2.gz XXJZKVNRSKWOTB-SJLPKXTDSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524618 806437868 /nfs/dbraw/zinc/43/78/68/806437868.db2.gz XXJZKVNRSKWOTB-SJLPKXTDSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524618 806437872 /nfs/dbraw/zinc/43/78/72/806437872.db2.gz XXJZKVNRSKWOTB-SJLPKXTDSA-N 2 1 288.435 3.014 20 0 CGADMP C[N@@H+]([C@@H]1CCC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001254522418 806439772 /nfs/dbraw/zinc/43/97/72/806439772.db2.gz FZEZIIUIJWQSIK-AWDGRILASA-N 2 1 276.468 3.371 20 0 CGADMP C[NH+]([C@@H]1CCC[N@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001254522418 806439775 /nfs/dbraw/zinc/43/97/75/806439775.db2.gz FZEZIIUIJWQSIK-AWDGRILASA-N 2 1 276.468 3.371 20 0 CGADMP C[NH+]([C@@H]1CCC[N@@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001254522418 806439778 /nfs/dbraw/zinc/43/97/78/806439778.db2.gz FZEZIIUIJWQSIK-AWDGRILASA-N 2 1 276.468 3.371 20 0 CGADMP C1=CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136228 806552492 /nfs/dbraw/zinc/55/24/92/806552492.db2.gz JKXOJSMOXSNZAP-BCDXTJNWSA-N 2 1 268.404 3.054 20 0 CGADMP CC(C)c1cccc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001162581152 806623317 /nfs/dbraw/zinc/62/33/17/806623317.db2.gz ZQQMSPFOLUYQOX-HNNXBMFYSA-N 2 1 265.376 3.099 20 0 CGADMP C[N@@H+](CC1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399267 806633904 /nfs/dbraw/zinc/63/39/04/806633904.db2.gz QAOHSMOVJHXLGC-GOSISDBHSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+](CC1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399267 806633912 /nfs/dbraw/zinc/63/39/12/806633912.db2.gz QAOHSMOVJHXLGC-GOSISDBHSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+](CC1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399267 806633916 /nfs/dbraw/zinc/63/39/16/806633916.db2.gz QAOHSMOVJHXLGC-GOSISDBHSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCO1 ZINC001255542887 806670019 /nfs/dbraw/zinc/67/00/19/806670019.db2.gz NFSAWAYFFDZGIH-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001255638744 806687209 /nfs/dbraw/zinc/68/72/09/806687209.db2.gz OWVQAXNLNAELLB-RZFFKMDDSA-N 2 1 298.352 3.047 20 0 CGADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001255638744 806687214 /nfs/dbraw/zinc/68/72/14/806687214.db2.gz OWVQAXNLNAELLB-RZFFKMDDSA-N 2 1 298.352 3.047 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000037644521 798872071 /nfs/dbraw/zinc/87/20/71/798872071.db2.gz YBUGVETWZCQUIQ-YYIAUSFCSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001255667258 806700627 /nfs/dbraw/zinc/70/06/27/806700627.db2.gz CKVRVVREJLKEOW-HZTRTUMWSA-N 2 1 288.435 3.101 20 0 CGADMP Cc1cccc2c1CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255674127 806702579 /nfs/dbraw/zinc/70/25/79/806702579.db2.gz LFENZVUHFVQKTG-JWTNVVGKSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1cccc2c1CC[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255674127 806702584 /nfs/dbraw/zinc/70/25/84/806702584.db2.gz LFENZVUHFVQKTG-JWTNVVGKSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1cccc2c1CC[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255674127 806702592 /nfs/dbraw/zinc/70/25/92/806702592.db2.gz LFENZVUHFVQKTG-JWTNVVGKSA-N 2 1 284.447 3.368 20 0 CGADMP C[C@@H]1CCCCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680541 806704098 /nfs/dbraw/zinc/70/40/98/806704098.db2.gz ZFHOVKQDOOCRHG-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680541 806704100 /nfs/dbraw/zinc/70/41/00/806704100.db2.gz ZFHOVKQDOOCRHG-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CCCCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680541 806704103 /nfs/dbraw/zinc/70/41/03/806704103.db2.gz ZFHOVKQDOOCRHG-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CCCCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680541 806704107 /nfs/dbraw/zinc/70/41/07/806704107.db2.gz ZFHOVKQDOOCRHG-JZWPEALZSA-N 2 1 250.430 3.266 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255688547 806707271 /nfs/dbraw/zinc/70/72/71/806707271.db2.gz BFCUJAZVGMSCBG-VJTDZRGJSA-N 2 1 290.373 3.322 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+](C)C3CCC([NH3+])CC3)on2)cc1 ZINC000316780794 799243390 /nfs/dbraw/zinc/24/33/90/799243390.db2.gz LGPHSCQMJXYDIU-UHFFFAOYSA-N 2 1 299.418 3.352 20 0 CGADMP CCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379642431 799350902 /nfs/dbraw/zinc/35/09/02/799350902.db2.gz DXBUUUUNBJTWPJ-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP CCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379642431 799350907 /nfs/dbraw/zinc/35/09/07/799350907.db2.gz DXBUUUUNBJTWPJ-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000380958892 799369899 /nfs/dbraw/zinc/36/98/99/799369899.db2.gz VUVWDHCKKKGIAC-UHFFFAOYSA-N 2 1 295.430 3.144 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC2CCC1CC2)[NH+]1CCCC1 ZINC000381939928 799390115 /nfs/dbraw/zinc/39/01/15/799390115.db2.gz APVAPIKDXKJWDD-BACDZXNISA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+]CC2(C)CCC2)([NH+](C)C)C1 ZINC000386751305 799440120 /nfs/dbraw/zinc/44/01/20/799440120.db2.gz FJDNRMCMHJLXFS-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396706013 799510052 /nfs/dbraw/zinc/51/00/52/799510052.db2.gz NATMSHSOFUCMJF-JMSVASOKSA-N 2 1 266.816 3.001 20 0 CGADMP CCN1CCC([N@@H+](C)[C@@H](C)Cc2ccccc2F)CC1 ZINC001255851594 806767336 /nfs/dbraw/zinc/76/73/36/806767336.db2.gz RVAOGBBCZLUGEA-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccccc2F)CC1 ZINC001255851594 806767342 /nfs/dbraw/zinc/76/73/42/806767342.db2.gz RVAOGBBCZLUGEA-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccccc2F)CC1 ZINC001255851594 806767348 /nfs/dbraw/zinc/76/73/48/806767348.db2.gz RVAOGBBCZLUGEA-AWEZNQCLSA-N 2 1 278.415 3.173 20 0 CGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CC3)C[C@@H]21 ZINC000503732483 799658319 /nfs/dbraw/zinc/65/83/19/799658319.db2.gz WDQYGYKLAFGFEI-YTQUADARSA-N 2 1 299.462 3.024 20 0 CGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CC3)C[C@@H]21 ZINC000503732483 799658323 /nfs/dbraw/zinc/65/83/23/799658323.db2.gz WDQYGYKLAFGFEI-YTQUADARSA-N 2 1 299.462 3.024 20 0 CGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000503732483 799658329 /nfs/dbraw/zinc/65/83/29/799658329.db2.gz WDQYGYKLAFGFEI-YTQUADARSA-N 2 1 299.462 3.024 20 0 CGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000503732483 799658332 /nfs/dbraw/zinc/65/83/32/799658332.db2.gz WDQYGYKLAFGFEI-YTQUADARSA-N 2 1 299.462 3.024 20 0 CGADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1F ZINC000688011177 799743389 /nfs/dbraw/zinc/74/33/89/799743389.db2.gz JMQBJXKTLRVIDZ-UHFFFAOYSA-N 2 1 290.407 3.165 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1F ZINC000688011177 799743396 /nfs/dbraw/zinc/74/33/96/799743396.db2.gz JMQBJXKTLRVIDZ-UHFFFAOYSA-N 2 1 290.407 3.165 20 0 CGADMP Cc1ccccc1C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688005537 799743858 /nfs/dbraw/zinc/74/38/58/799743858.db2.gz FCEJLZBYFPFVNP-UHFFFAOYSA-N 2 1 286.444 3.334 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000692927195 799802696 /nfs/dbraw/zinc/80/26/96/799802696.db2.gz LCYJTABXNXLYTC-DBPPKFAGSA-N 2 1 262.441 3.170 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(Cl)CC1 ZINC000695648026 799830504 /nfs/dbraw/zinc/83/05/04/799830504.db2.gz LGAQMNXEYJJRGA-AWEZNQCLSA-N 2 1 292.854 3.401 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC001255866229 806775593 /nfs/dbraw/zinc/77/55/93/806775593.db2.gz NMNMOEPOZZJCDK-RKVPGOIHSA-N 2 1 292.442 3.465 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccc(C(F)F)cc1)[NH+](C)C ZINC000697885821 799849738 /nfs/dbraw/zinc/84/97/38/799849738.db2.gz BBTUGDXKBCDFJE-LLVKDONJSA-N 2 1 256.340 3.054 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699313138 799859192 /nfs/dbraw/zinc/85/91/92/799859192.db2.gz UTAKGWJLPKYMSV-AYHJJNSGSA-N 2 1 272.436 3.428 20 0 CGADMP CCc1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700830269 799881021 /nfs/dbraw/zinc/88/10/21/799881021.db2.gz HQCPLSGDQINCDS-OAHLLOKOSA-N 2 1 260.425 3.071 20 0 CGADMP C(C[N@H+]1CCCC2(CC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000702511449 799909209 /nfs/dbraw/zinc/90/92/09/799909209.db2.gz URBCWBJOHMVZSW-MQVJKMGUSA-N 2 1 262.441 3.173 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708815892 799995269 /nfs/dbraw/zinc/99/52/69/799995269.db2.gz RYNVYNJUQNEELS-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP C1C[C@H]2CC([N@H+]3CC[C@H](C4CCCCC4)C3)C[C@@H]1[NH2+]2 ZINC000708834792 799996897 /nfs/dbraw/zinc/99/68/97/799996897.db2.gz FVQGFZNFNSTFSV-PMRDEQMMSA-N 2 1 262.441 3.172 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708861780 799997655 /nfs/dbraw/zinc/99/76/55/799997655.db2.gz JRALDBKVHMACRH-MRXNPFEDSA-N 2 1 252.446 3.408 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC001255954189 806796881 /nfs/dbraw/zinc/79/68/81/806796881.db2.gz ASYVBIFUSVRRGP-XJKSGUPXSA-N 2 1 276.424 3.090 20 0 CGADMP C1CC12CCC([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC000710174650 800029876 /nfs/dbraw/zinc/02/98/76/800029876.db2.gz ZYWWAQBNQSBYNX-KRWDZBQOSA-N 2 1 262.441 3.175 20 0 CGADMP NCc1nc2c(s1)CCN(CCC1CCCCCC1)C2 ZINC000710278175 800032156 /nfs/dbraw/zinc/03/21/56/800032156.db2.gz LJRZMGJMGDZBMW-UHFFFAOYSA-N 2 1 293.480 3.320 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710833817 800040826 /nfs/dbraw/zinc/04/08/26/800040826.db2.gz MPJJPRRWROGMLD-CQSZACIVSA-N 2 1 264.413 3.207 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001255955585 806798181 /nfs/dbraw/zinc/79/81/81/806798181.db2.gz CLMLPXKRBVDNAC-STQMWFEESA-N 2 1 298.368 3.331 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001255955585 806798187 /nfs/dbraw/zinc/79/81/87/806798187.db2.gz CLMLPXKRBVDNAC-STQMWFEESA-N 2 1 298.368 3.331 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001255955582 806798682 /nfs/dbraw/zinc/79/86/82/806798682.db2.gz CLMLPXKRBVDNAC-CHWSQXEVSA-N 2 1 298.368 3.331 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001255955582 806798685 /nfs/dbraw/zinc/79/86/85/806798685.db2.gz CLMLPXKRBVDNAC-CHWSQXEVSA-N 2 1 298.368 3.331 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001255961539 806799705 /nfs/dbraw/zinc/79/97/05/806799705.db2.gz NSUIOHUCEBTXIU-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001255961539 806799709 /nfs/dbraw/zinc/79/97/09/806799709.db2.gz NSUIOHUCEBTXIU-CHWSQXEVSA-N 2 1 280.378 3.381 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001256067326 806809591 /nfs/dbraw/zinc/80/95/91/806809591.db2.gz KQGPBBVYERXXOH-UHFFFAOYSA-N 2 1 288.479 3.419 20 0 CGADMP c1ccc([C@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256072917 806810211 /nfs/dbraw/zinc/81/02/11/806810211.db2.gz IIZAAYLGVVWJBG-INIZCTEOSA-N 2 1 270.420 3.103 20 0 CGADMP c1ccc([C@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256072917 806810221 /nfs/dbraw/zinc/81/02/21/806810221.db2.gz IIZAAYLGVVWJBG-INIZCTEOSA-N 2 1 270.420 3.103 20 0 CGADMP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000717462653 800201601 /nfs/dbraw/zinc/20/16/01/800201601.db2.gz IWJOTFJULMGPTF-XJKSGUPXSA-N 2 1 264.457 3.418 20 0 CGADMP Fc1cccc(CC2([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001256072812 806811081 /nfs/dbraw/zinc/81/10/81/806811081.db2.gz XXIGSAUXLCCWPP-UHFFFAOYSA-N 2 1 288.410 3.117 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000718755709 800222058 /nfs/dbraw/zinc/22/20/58/800222058.db2.gz VLZHIYSBMUSTEU-ZACQAIPSSA-N 2 1 282.472 3.044 20 0 CGADMP CC1(C)CCC(N2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC000721524656 800291754 /nfs/dbraw/zinc/29/17/54/800291754.db2.gz QEIVERTVJZCCBM-KRWDZBQOSA-N 2 1 272.436 3.341 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723701822 800338232 /nfs/dbraw/zinc/33/82/32/800338232.db2.gz RKSPVUHLYCWGDT-VXGBXAGGSA-N 2 1 286.341 3.437 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723701381 800338709 /nfs/dbraw/zinc/33/87/09/800338709.db2.gz AADGGSBLZGLLJO-NWDGAFQWSA-N 2 1 284.350 3.020 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1CC[NH3+] ZINC000723883269 800343138 /nfs/dbraw/zinc/34/31/38/800343138.db2.gz NTSZAKGTRQCZRV-RDTXWAMCSA-N 2 1 268.404 3.257 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000828339259 800481964 /nfs/dbraw/zinc/48/19/64/800481964.db2.gz ZWLPDRUMYUIGDC-RWMBFGLXSA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000828339259 800481969 /nfs/dbraw/zinc/48/19/69/800481969.db2.gz ZWLPDRUMYUIGDC-RWMBFGLXSA-N 2 1 293.282 3.232 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000828339259 800481973 /nfs/dbraw/zinc/48/19/73/800481973.db2.gz ZWLPDRUMYUIGDC-RWMBFGLXSA-N 2 1 293.282 3.232 20 0 CGADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892048047 800565682 /nfs/dbraw/zinc/56/56/82/800565682.db2.gz GNPNUOXTBYKZNB-CYBMUJFWSA-N 2 1 276.399 3.087 20 0 CGADMP CN1CCC([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001256207100 806849325 /nfs/dbraw/zinc/84/93/25/806849325.db2.gz CBIGWYAJTGSLJE-QGZVFWFLSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001256207100 806849333 /nfs/dbraw/zinc/84/93/33/806849333.db2.gz CBIGWYAJTGSLJE-QGZVFWFLSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001256207100 806849339 /nfs/dbraw/zinc/84/93/39/806849339.db2.gz CBIGWYAJTGSLJE-QGZVFWFLSA-N 2 1 272.436 3.035 20 0 CGADMP CN1CCC([N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001256208248 806850348 /nfs/dbraw/zinc/85/03/48/806850348.db2.gz AUAMUQWLLQJBRZ-MRXNPFEDSA-N 2 1 250.430 3.125 20 0 CGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)CCC(C)C)CC1 ZINC001256370484 806871978 /nfs/dbraw/zinc/87/19/78/806871978.db2.gz IRVQWPICJDXRNW-WMZOPIPTSA-N 2 1 296.499 3.386 20 0 CGADMP CCOC1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256433105 806897076 /nfs/dbraw/zinc/89/70/76/806897076.db2.gz IVOSHFKHAITSHC-MJYONLJCSA-N 2 1 294.483 3.316 20 0 CGADMP CC[N@H+](Cc1ccncc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256568858 806917784 /nfs/dbraw/zinc/91/77/84/806917784.db2.gz IGIHMYSVKGLPSD-UHFFFAOYSA-N 2 1 275.440 3.166 20 0 CGADMP CC[N@@H+](Cc1ccncc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256568858 806917788 /nfs/dbraw/zinc/91/77/88/806917788.db2.gz IGIHMYSVKGLPSD-UHFFFAOYSA-N 2 1 275.440 3.166 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001256571104 806920061 /nfs/dbraw/zinc/92/00/61/806920061.db2.gz CGVNBPZPVVJJJC-MRXNPFEDSA-N 2 1 287.451 3.134 20 0 CGADMP CC(C)(C)N1CCC([N@@H+](C2CCC2)C2CCOCC2)CC1 ZINC001256577148 806921475 /nfs/dbraw/zinc/92/14/75/806921475.db2.gz CRTQMPVVTNEDQN-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+](C2CCC2)C2CCOCC2)CC1 ZINC001256577148 806921480 /nfs/dbraw/zinc/92/14/80/806921480.db2.gz CRTQMPVVTNEDQN-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+](C2CCC2)C2CCOCC2)CC1 ZINC001256577148 806921484 /nfs/dbraw/zinc/92/14/84/806921484.db2.gz CRTQMPVVTNEDQN-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001258061118 807283133 /nfs/dbraw/zinc/28/31/33/807283133.db2.gz FXOHZRYOPGKCQS-YHUYYLMFSA-N 2 1 254.462 3.377 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001258061118 807283137 /nfs/dbraw/zinc/28/31/37/807283137.db2.gz FXOHZRYOPGKCQS-YHUYYLMFSA-N 2 1 254.462 3.377 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2ccncc2)CC1 ZINC001256740181 806967020 /nfs/dbraw/zinc/96/70/20/806967020.db2.gz FLLGGTNBWOFMTE-INIZCTEOSA-N 2 1 289.467 3.065 20 0 CGADMP CC[NH+]1CCC(N(C)c2[nH+]c(C)cc3ccccc32)CC1 ZINC001165068934 806968058 /nfs/dbraw/zinc/96/80/58/806968058.db2.gz ZRZGFPRSPURAJQ-UHFFFAOYSA-N 2 1 283.419 3.464 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001116292718 802325412 /nfs/dbraw/zinc/32/54/12/802325412.db2.gz BWJHAFIIDQMCNB-SUMWQHHRSA-N 2 1 276.399 3.135 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC001116292823 802326562 /nfs/dbraw/zinc/32/65/62/802326562.db2.gz FQFNOGRAIBUZGN-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC001116296422 802328469 /nfs/dbraw/zinc/32/84/69/802328469.db2.gz UCOCWKHLGLPSON-FGTMMUONSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172845071 808459031 /nfs/dbraw/zinc/45/90/31/808459031.db2.gz KTOLRVDJWTVVJI-OLZOCXBDSA-N 2 1 298.833 3.342 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC001117953488 802513160 /nfs/dbraw/zinc/51/31/60/802513160.db2.gz IQGCKXPFGDUXAA-ZDUSSCGKSA-N 2 1 258.365 3.034 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC001118122239 802527132 /nfs/dbraw/zinc/52/71/32/802527132.db2.gz RVMBUTYOWWRYQY-NHYWBVRUSA-N 2 1 250.386 3.017 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198807 802537793 /nfs/dbraw/zinc/53/77/93/802537793.db2.gz SROSAGKXRQCWPH-AWEZNQCLSA-N 2 1 276.399 3.352 20 0 CGADMP CCOc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118242805 802541008 /nfs/dbraw/zinc/54/10/08/802541008.db2.gz JTUWAZQSHKPDCT-UHFFFAOYSA-N 2 1 288.435 3.051 20 0 CGADMP FC1CCC([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256894884 806999995 /nfs/dbraw/zinc/99/99/95/806999995.db2.gz NPAVAKLJOJEXMW-NRXISQOPSA-N 2 1 268.420 3.264 20 0 CGADMP FC1CCC([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256894884 806999998 /nfs/dbraw/zinc/99/99/98/806999998.db2.gz NPAVAKLJOJEXMW-NRXISQOPSA-N 2 1 268.420 3.264 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(F)c1 ZINC001206808790 813443933 /nfs/dbraw/zinc/44/39/33/813443933.db2.gz KMCWGABSKYVATN-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(F)c1 ZINC001206808790 813443934 /nfs/dbraw/zinc/44/39/34/813443934.db2.gz KMCWGABSKYVATN-KGLIPLIRSA-N 2 1 294.414 3.172 20 0 CGADMP C[NH+](C)Cc1cccc(-c2c[nH+]cc3cc[nH]c32)c1F ZINC001244864121 803554378 /nfs/dbraw/zinc/55/43/78/803554378.db2.gz JKCWQUCYDWLKLC-UHFFFAOYSA-N 2 1 269.323 3.431 20 0 CGADMP Cc1csc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC001137158421 803691523 /nfs/dbraw/zinc/69/15/23/803691523.db2.gz ROXLFTGTUQWILQ-CQSZACIVSA-N 2 1 274.389 3.105 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC001137166992 803692766 /nfs/dbraw/zinc/69/27/66/803692766.db2.gz QFHHAQKJWGPEIC-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]1 ZINC001137327985 803714721 /nfs/dbraw/zinc/71/47/21/803714721.db2.gz NWPBTBVJMLEUKK-QGZVFWFLSA-N 2 1 289.467 3.472 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]1 ZINC001137327985 803714726 /nfs/dbraw/zinc/71/47/26/803714726.db2.gz NWPBTBVJMLEUKK-QGZVFWFLSA-N 2 1 289.467 3.472 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC001138548009 803964030 /nfs/dbraw/zinc/96/40/30/803964030.db2.gz ZKQYYLPCENMZMS-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC001138548009 803964037 /nfs/dbraw/zinc/96/40/37/803964037.db2.gz ZKQYYLPCENMZMS-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP CCCC[C@H](O)C[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246063767 804107155 /nfs/dbraw/zinc/10/71/55/804107155.db2.gz CCUGSQMKCNQQJE-XIRDDKMYSA-N 2 1 284.488 3.298 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC001246070516 804108246 /nfs/dbraw/zinc/10/82/46/804108246.db2.gz CEAJIYUTNGVLFJ-DZGCQCFKSA-N 2 1 264.388 3.082 20 0 CGADMP CCCC[C@H](O)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246070647 804108658 /nfs/dbraw/zinc/10/86/58/804108658.db2.gz OVJNEXXRNOJYGM-SZMVWBNQSA-N 2 1 296.499 3.442 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC001246070658 804108694 /nfs/dbraw/zinc/10/86/94/804108694.db2.gz DGDYPCLFCDJQHU-HUUCEWRRSA-N 2 1 264.388 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246074401 804111622 /nfs/dbraw/zinc/11/16/22/804111622.db2.gz DTCQYIRQWFTLQG-BXUZGUMPSA-N 2 1 264.800 3.059 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246077800 804116161 /nfs/dbraw/zinc/11/61/61/804116161.db2.gz ABHSETWIXZOEMJ-SCRDCRAPSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246100455 804133672 /nfs/dbraw/zinc/13/36/72/804133672.db2.gz DHZHBAHJKMRUOZ-MURWCNHISA-N 2 1 299.245 3.191 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113388 804144564 /nfs/dbraw/zinc/14/45/64/804144564.db2.gz NZTZIVVYKGTWAH-ZWKOTPCHSA-N 2 1 292.442 3.469 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113385 804144779 /nfs/dbraw/zinc/14/47/79/804144779.db2.gz NZTZIVVYKGTWAH-ROUUACIJSA-N 2 1 292.442 3.469 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[NH2+]C1 ZINC001246117581 804149137 /nfs/dbraw/zinc/14/91/37/804149137.db2.gz QVUCTUWLZWTMOF-PWSUYJOCSA-N 2 1 287.234 3.266 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246158657 804174423 /nfs/dbraw/zinc/17/44/23/804174423.db2.gz GKPWGYXIDLNDGF-GVDBMIGSSA-N 2 1 280.456 3.012 20 0 CGADMP Clc1ccc(CC[NH2+][C@@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC001246159342 804176177 /nfs/dbraw/zinc/17/61/77/804176177.db2.gz OHZYTQMZEXRMNN-CYBMUJFWSA-N 2 1 287.234 3.268 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246172485 804187852 /nfs/dbraw/zinc/18/78/52/804187852.db2.gz HJOZLHSFQFGOQY-QZTJIDSGSA-N 2 1 292.442 3.469 20 0 CGADMP CCCCC(CCCC)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246174451 804189441 /nfs/dbraw/zinc/18/94/41/804189441.db2.gz LKVGWGWJFSXCAL-HNNXBMFYSA-N 2 1 258.425 3.417 20 0 CGADMP CCCC[C@H](CC(C)C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246176523 804191368 /nfs/dbraw/zinc/19/13/68/804191368.db2.gz LNLGWESLZFCPSP-HUUCEWRRSA-N 2 1 258.425 3.273 20 0 CGADMP CCCCC[C@@H](CCC)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246180157 804193885 /nfs/dbraw/zinc/19/38/85/804193885.db2.gz QDMGOSAEBVOGSR-CABCVRRESA-N 2 1 258.425 3.417 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[NH2+]C[C@@H]3CC[NH2+]3)ccc2c1 ZINC001246197783 804203019 /nfs/dbraw/zinc/20/30/19/804203019.db2.gz ANZIPXJRBXSTOP-KSSFIOAISA-N 2 1 298.430 3.121 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001246198192 804205350 /nfs/dbraw/zinc/20/53/50/804205350.db2.gz DNIXVLADDOVDCS-UWVGGRQHSA-N 2 1 275.223 3.251 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)CC[NH2+]2)cc1 ZINC001246223196 804217460 /nfs/dbraw/zinc/21/74/60/804217460.db2.gz QDYFFOQDDGQQBJ-SRVCANOKSA-N 2 1 270.420 3.258 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(F)c2)CC[NH2+]1 ZINC001246225469 804218893 /nfs/dbraw/zinc/21/88/93/804218893.db2.gz MZSXQZPRWIGSKJ-HUUCEWRRSA-N 2 1 294.414 3.235 20 0 CGADMP CC[C@H]1CC[C@H](C2CCC([NH2+]C[C@H]([NH3+])COC)CC2)CC1 ZINC001246239976 804231826 /nfs/dbraw/zinc/23/18/26/804231826.db2.gz LENCKQUOCXFMCF-IBRUTMJSSA-N 2 1 296.499 3.325 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C(C)C)C2)c(F)c1 ZINC001246260863 804241942 /nfs/dbraw/zinc/24/19/42/804241942.db2.gz BPTWPYGAKLKQPM-GDZNZVCISA-N 2 1 294.414 3.262 20 0 CGADMP CC[C@H](C[NH3+])[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246310597 804273344 /nfs/dbraw/zinc/27/33/44/804273344.db2.gz DSWGHSLCVHGDAS-AQFXKWCLSA-N 2 1 260.425 3.115 20 0 CGADMP CC(C)([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC001246314540 804274904 /nfs/dbraw/zinc/27/49/04/804274904.db2.gz XTJYEOJKGNPKOF-LBPRGKRZSA-N 2 1 266.816 3.307 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C)CC[NH2+]C)c1ccc(F)cc1F ZINC001246317745 804277373 /nfs/dbraw/zinc/27/73/73/804277373.db2.gz ONZMWKDXJZOWOZ-IINYFYTJSA-N 2 1 256.340 3.004 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246329002 804284918 /nfs/dbraw/zinc/28/49/18/804284918.db2.gz LCCKIIKCPVSQJK-SWLSCSKDSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246330137 804286181 /nfs/dbraw/zinc/28/61/81/804286181.db2.gz VGANSJSPKUHJGM-NRSFXHEJSA-N 2 1 272.436 3.443 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246345862 804296190 /nfs/dbraw/zinc/29/61/90/804296190.db2.gz OYISLGZLUWCXCO-HZMBPMFUSA-N 2 1 286.822 3.373 20 0 CGADMP [NH3+]CC1([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001246354573 804302552 /nfs/dbraw/zinc/30/25/52/804302552.db2.gz GTGMOKZWTWRNAX-LBPRGKRZSA-N 2 1 299.245 3.322 20 0 CGADMP CCCC[C@H](C)[NH2+]C1(c2ccccc2OC)CC[NH2+]CC1 ZINC001246377920 804312373 /nfs/dbraw/zinc/31/23/73/804312373.db2.gz SGEKXRCWZUNJAK-HNNXBMFYSA-N 2 1 290.451 3.442 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+][C@H](CC1CC1)c1ccccc1F ZINC001246396746 804321396 /nfs/dbraw/zinc/32/13/96/804321396.db2.gz QYLNBQKJQSBTPA-MLGOLLRUSA-N 2 1 264.388 3.255 20 0 CGADMP CCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411342 804326748 /nfs/dbraw/zinc/32/67/48/804326748.db2.gz CCZRQHGMEUUBKT-LSDHHAIUSA-N 2 1 270.461 3.092 20 0 CGADMP Cc1ccccc1CC(C)(C)C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246432212 804330467 /nfs/dbraw/zinc/33/04/67/804330467.db2.gz DIESJKMNTAAUQM-DOTOQJQBSA-N 2 1 274.452 3.294 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1(CC2CCC2)CC[NH2+]CC1 ZINC001246446061 804333664 /nfs/dbraw/zinc/33/36/64/804333664.db2.gz KIVHWVYCELPEFC-INIZCTEOSA-N 3 1 295.515 3.009 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+](C)Cc1cccnc1 ZINC001140023565 804354277 /nfs/dbraw/zinc/35/42/77/804354277.db2.gz QUDBJEPHQJODEC-UHFFFAOYSA-N 2 1 292.386 3.208 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)Cc1cccnc1 ZINC001140023565 804354292 /nfs/dbraw/zinc/35/42/92/804354292.db2.gz QUDBJEPHQJODEC-UHFFFAOYSA-N 2 1 292.386 3.208 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(C)ccc1C ZINC001246477517 804354508 /nfs/dbraw/zinc/35/45/08/804354508.db2.gz YVKDICYDLXEEGE-NVXWUHKLSA-N 2 1 260.425 3.486 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC001140025992 804354835 /nfs/dbraw/zinc/35/48/35/804354835.db2.gz HWHVVRDTTUUBMI-QGZVFWFLSA-N 2 1 299.418 3.180 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC001246487259 804357742 /nfs/dbraw/zinc/35/77/42/804357742.db2.gz KTDQGFBVUVDDPE-HZSPNIEDSA-N 2 1 288.426 3.426 20 0 CGADMP CC(C)(C)[N@@H+](Cc1ccccc1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246519684 804374816 /nfs/dbraw/zinc/37/48/16/804374816.db2.gz PKEIUVXLOKECJU-OAHLLOKOSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246521906 804376967 /nfs/dbraw/zinc/37/69/67/804376967.db2.gz GYBFNRQDEKMYOS-HNNXBMFYSA-N 2 1 290.426 3.222 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246521014 804376978 /nfs/dbraw/zinc/37/69/78/804376978.db2.gz BSDULJNMNCFUBP-CQSZACIVSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246521150 804377030 /nfs/dbraw/zinc/37/70/30/804377030.db2.gz WRABIGQTPCEQFA-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530033 804380310 /nfs/dbraw/zinc/38/03/10/804380310.db2.gz MMYREVAOTDPCES-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530033 804380319 /nfs/dbraw/zinc/38/03/19/804380319.db2.gz MMYREVAOTDPCES-SMDDNHRTSA-N 2 1 286.341 3.060 20 0 CGADMP CCC[N@@H+](CC1CC1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246530259 804380628 /nfs/dbraw/zinc/38/06/28/804380628.db2.gz KVZAZVWLYHLJPO-RTBURBONSA-N 2 1 286.463 3.472 20 0 CGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246537347 804385112 /nfs/dbraw/zinc/38/51/12/804385112.db2.gz VJZOVYJEOAPMFM-INMHGKMJSA-N 2 1 290.451 3.089 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545278 804393770 /nfs/dbraw/zinc/39/37/70/804393770.db2.gz ARNIYWJNPGUSAQ-GXTWGEPZSA-N 2 1 276.465 3.060 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246547465 804395811 /nfs/dbraw/zinc/39/58/11/804395811.db2.gz PUYLRFZDPXSDFY-IAGOWNOFSA-N 2 1 260.425 3.211 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246547405 804396147 /nfs/dbraw/zinc/39/61/47/804396147.db2.gz IAHXSUFIROAOEP-CJNGLKHVSA-N 2 1 298.833 3.424 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246549143 804398628 /nfs/dbraw/zinc/39/86/28/804398628.db2.gz HLIORTFPOMNHGC-UYSNPLJNSA-N 2 1 252.446 3.405 20 0 CGADMP CC1(C)CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246550242 804400488 /nfs/dbraw/zinc/40/04/88/804400488.db2.gz OALANOWQYLGFDW-HNNXBMFYSA-N 2 1 256.409 3.108 20 0 CGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246551026 804400501 /nfs/dbraw/zinc/40/05/01/804400501.db2.gz JWYLGOFRNUSLDJ-MAUKXSAKSA-N 2 1 290.451 3.220 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246551261 804400738 /nfs/dbraw/zinc/40/07/38/804400738.db2.gz LRXVSHICJWPZSU-RVKKMQEKSA-N 2 1 274.452 3.097 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552092 804402853 /nfs/dbraw/zinc/40/28/53/804402853.db2.gz NRWHITGZUPQZPF-TZMCWYRMSA-N 2 1 258.475 3.110 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001246557238 804405741 /nfs/dbraw/zinc/40/57/41/804405741.db2.gz GSDMGZRPXVYJJN-CABCVRRESA-N 2 1 278.465 3.289 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001246557238 804405745 /nfs/dbraw/zinc/40/57/45/804405745.db2.gz GSDMGZRPXVYJJN-CABCVRRESA-N 2 1 278.465 3.289 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC(C)(C)CC2)CC[C@@H]1C[NH3+] ZINC001246559906 804408572 /nfs/dbraw/zinc/40/85/72/804408572.db2.gz PDNJAYZKZBFBMQ-ZIAGYGMSSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246562035 804412113 /nfs/dbraw/zinc/41/21/13/804412113.db2.gz HONYSSMVOGMCRK-UMVBOHGHSA-N 2 1 280.843 3.330 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(Cc3ccccc3)CC2)C[C@H]1F ZINC001246562943 804412275 /nfs/dbraw/zinc/41/22/75/804412275.db2.gz IMEHAWRYDYLACB-OPQOLIRYSA-N 2 1 290.426 3.159 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C2CCC(Cc3ccccc3)CC2)C[C@H]1F ZINC001246562943 804412279 /nfs/dbraw/zinc/41/22/79/804412279.db2.gz IMEHAWRYDYLACB-OPQOLIRYSA-N 2 1 290.426 3.159 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246565157 804414464 /nfs/dbraw/zinc/41/44/64/804414464.db2.gz OQGAXFABQRQSTH-RYQLBKOJSA-N 2 1 274.452 3.457 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246569126 804416756 /nfs/dbraw/zinc/41/67/56/804416756.db2.gz QGXKCIFKEBNHQJ-IJEWVQPXSA-N 2 1 278.415 3.064 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001246569346 804417341 /nfs/dbraw/zinc/41/73/41/804417341.db2.gz CCEKMFXNEGLFQG-GJZGRUSLSA-N 2 1 278.465 3.159 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001246569346 804417345 /nfs/dbraw/zinc/41/73/45/804417345.db2.gz CCEKMFXNEGLFQG-GJZGRUSLSA-N 2 1 278.465 3.159 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCCC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246571817 804419291 /nfs/dbraw/zinc/41/92/91/804419291.db2.gz XANHQACOYRJUCR-ILXRZTDVSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC001246573781 804420743 /nfs/dbraw/zinc/42/07/43/804420743.db2.gz MEFFIAOGBFLVTF-SUJAAXHWSA-N 2 1 250.430 3.028 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](C2CCC3(CCCC3)CC2)CC[C@H]1F ZINC001246574482 804420775 /nfs/dbraw/zinc/42/07/75/804420775.db2.gz YFEGDZXFYXYDGB-CABCVRRESA-N 2 1 268.420 3.251 20 0 CGADMP [NH3+][C@H]1CC[N@H+](C2CCC3(CCCC3)CC2)CC[C@H]1F ZINC001246574482 804420778 /nfs/dbraw/zinc/42/07/78/804420778.db2.gz YFEGDZXFYXYDGB-CABCVRRESA-N 2 1 268.420 3.251 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246577334 804423931 /nfs/dbraw/zinc/42/39/31/804423931.db2.gz OONSUFNAHRNHMO-HRCADAONSA-N 2 1 270.461 3.031 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)CC2)C[C@H](CC)[NH2+]1 ZINC001246584426 804427702 /nfs/dbraw/zinc/42/77/02/804427702.db2.gz AMHHWUKPUXPYBD-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246585748 804429764 /nfs/dbraw/zinc/42/97/64/804429764.db2.gz QINKHDDGOJVABT-PBHICJAKSA-N 2 1 278.415 3.208 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246589277 804431807 /nfs/dbraw/zinc/43/18/07/804431807.db2.gz DXSNPXXYUZNMIJ-HRCADAONSA-N 2 1 270.461 3.031 20 0 CGADMP CC(C)[N@@H+]([C@H]1Cc2cccc(F)c2C1)[C@H]1CCC[NH2+]CC1 ZINC001246590579 804433231 /nfs/dbraw/zinc/43/32/31/804433231.db2.gz HDSRRDGYIVWMJC-HOTGVXAUSA-N 2 1 290.426 3.145 20 0 CGADMP C[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246591069 804433655 /nfs/dbraw/zinc/43/36/55/804433655.db2.gz LEUVVWBGIUMSBQ-FHERZECASA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246593856 804435919 /nfs/dbraw/zinc/43/59/19/804435919.db2.gz TVZDTWMTMLCDFY-BHIYHBOVSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)[N@@H+]([C@H]1CCC(C)(C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246597607 804437210 /nfs/dbraw/zinc/43/72/10/804437210.db2.gz XSAZPJHJVMBJQJ-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246599206 804438844 /nfs/dbraw/zinc/43/88/44/804438844.db2.gz BCYOMFNNZKLTHU-WMZOPIPTSA-N 2 1 290.451 3.456 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001246607604 804443454 /nfs/dbraw/zinc/44/34/54/804443454.db2.gz UGSHGAJGRKFJKI-DQPZFDDXSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@]23CCC[NH2+]C3)CC1 ZINC001246607604 804443458 /nfs/dbraw/zinc/44/34/58/804443458.db2.gz UGSHGAJGRKFJKI-DQPZFDDXSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246618368 804451639 /nfs/dbraw/zinc/45/16/39/804451639.db2.gz KHFPSWZBOKUIND-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246618368 804451641 /nfs/dbraw/zinc/45/16/41/804451641.db2.gz KHFPSWZBOKUIND-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC(CCCCC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246620463 804454174 /nfs/dbraw/zinc/45/41/74/804454174.db2.gz CAVPBQMCKVAUBX-SJLPKXTDSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246622699 804455377 /nfs/dbraw/zinc/45/53/77/804455377.db2.gz RSEVWWJTMSVXTN-MJGOQNOKSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246622699 804455381 /nfs/dbraw/zinc/45/53/81/804455381.db2.gz RSEVWWJTMSVXTN-MJGOQNOKSA-N 2 1 284.447 3.070 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246623709 804455998 /nfs/dbraw/zinc/45/59/98/804455998.db2.gz MODBZJNEQPQALO-GBESFXJTSA-N 2 1 286.463 3.328 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246624292 804457437 /nfs/dbraw/zinc/45/74/37/804457437.db2.gz DBFPXLWRPCFXSI-OAGGEKHMSA-N 2 1 250.430 3.053 20 0 CGADMP c1ccc(C[C@H]2C[C@H]([N@H+]3CCC34CCCC4)CC[NH2+]2)cc1 ZINC001246626900 804458896 /nfs/dbraw/zinc/45/88/96/804458896.db2.gz UFEQXJDNEWGTMM-ZWKOTPCHSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@]3(C1)CCCC[NH2+]3)CC2 ZINC001246629075 804460594 /nfs/dbraw/zinc/46/05/94/804460594.db2.gz ZLMHBVSCQCBGDW-RBUKOAKNSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]3(C1)CCCC[NH2+]3)CC2 ZINC001246629075 804460596 /nfs/dbraw/zinc/46/05/96/804460596.db2.gz ZLMHBVSCQCBGDW-RBUKOAKNSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)C2 ZINC001246634534 804464358 /nfs/dbraw/zinc/46/43/58/804464358.db2.gz ODGDUIPOHOLOLR-AZUAARDMSA-N 2 1 298.474 3.460 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634174 804464636 /nfs/dbraw/zinc/46/46/36/804464636.db2.gz ASJIZJQFKPLQGN-DLBZAZTESA-N 2 1 282.472 3.047 20 0 CGADMP CCCCCC[C@H](CCCC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246640371 804467246 /nfs/dbraw/zinc/46/72/46/804467246.db2.gz GFBLZJBKYQJVIX-ZWKOTPCHSA-N 2 1 295.515 3.153 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC13CC[NH2+]CC3)CC2 ZINC001246644034 804470065 /nfs/dbraw/zinc/47/00/65/804470065.db2.gz ITDWYUZLMOTBRG-GOSISDBHSA-N 2 1 284.447 3.070 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246644232 804472339 /nfs/dbraw/zinc/47/23/39/804472339.db2.gz XSQXSLLLHDLKGR-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C1C[N@H+](C2CCC3(CCCCC3)CC2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246648400 804474850 /nfs/dbraw/zinc/47/48/50/804474850.db2.gz YDABOEKDRMBFNB-GOEBONIOSA-N 2 1 262.441 3.173 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647608 804475940 /nfs/dbraw/zinc/47/59/40/804475940.db2.gz LVXBGKSEOGXUHW-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647608 804475942 /nfs/dbraw/zinc/47/59/42/804475942.db2.gz LVXBGKSEOGXUHW-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246650615 804478991 /nfs/dbraw/zinc/47/89/91/804478991.db2.gz AVRVURDGPAVTJH-FUHWJXTLSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653376 804479306 /nfs/dbraw/zinc/47/93/06/804479306.db2.gz SOPAJNQAATVOFV-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP C1C[C@@H]2CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]2C1 ZINC001246655052 804480574 /nfs/dbraw/zinc/48/05/74/804480574.db2.gz JGWSWQXEAJWSKZ-VEZWFGLTSA-N 2 1 276.468 3.421 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC1 ZINC001246658416 804481751 /nfs/dbraw/zinc/48/17/51/804481751.db2.gz KIBXRVLOQWFTSK-WVTZPBJPSA-N 2 1 264.457 3.403 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657499 804482710 /nfs/dbraw/zinc/48/27/10/804482710.db2.gz MSZVQGHJBKERJT-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4ccncc43)C[C@@H]2C1 ZINC001140648566 804484551 /nfs/dbraw/zinc/48/45/51/804484551.db2.gz FSMDDSCWXZZLKW-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4ccncc43)C[C@@H]2C1 ZINC001140648566 804484552 /nfs/dbraw/zinc/48/45/52/804484552.db2.gz FSMDDSCWXZZLKW-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246664749 804486985 /nfs/dbraw/zinc/48/69/85/804486985.db2.gz OREUZBXGGNIVKY-XNRPHZJLSA-N 2 1 278.827 3.084 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001246668932 804487716 /nfs/dbraw/zinc/48/77/16/804487716.db2.gz QGQGOGSJMYYXLM-ARFHVFGLSA-N 2 1 290.476 3.017 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246676317 804491407 /nfs/dbraw/zinc/49/14/07/804491407.db2.gz DCVUQCDWDQDVTD-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677552 804491630 /nfs/dbraw/zinc/49/16/30/804491630.db2.gz JALJSHZIFBSEDP-FJIDUMEYSA-N 2 1 296.499 3.292 20 0 CGADMP C1[NH2+]CC1[C@@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246678284 804492481 /nfs/dbraw/zinc/49/24/81/804492481.db2.gz LHTJOMPMKNKIBJ-WBVHZDCISA-N 2 1 276.468 3.421 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246678364 804493189 /nfs/dbraw/zinc/49/31/89/804493189.db2.gz MLVRARJHWJLXFQ-MJGOQNOKSA-N 2 1 286.463 3.329 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246686750 804495645 /nfs/dbraw/zinc/49/56/45/804495645.db2.gz SNEFPXABIJKCQH-BSDSXHPESA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC001246684872 804495823 /nfs/dbraw/zinc/49/58/23/804495823.db2.gz XZRILYUIJPVRLY-CABCVRRESA-N 2 1 278.465 3.417 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC001246684872 804495824 /nfs/dbraw/zinc/49/58/24/804495824.db2.gz XZRILYUIJPVRLY-CABCVRRESA-N 2 1 278.465 3.417 20 0 CGADMP CCCC[N@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246770240 804502204 /nfs/dbraw/zinc/50/22/04/804502204.db2.gz OCADHZRHCVYYQB-QGZVFWFLSA-N 2 1 260.425 3.431 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246770240 804502207 /nfs/dbraw/zinc/50/22/07/804502207.db2.gz OCADHZRHCVYYQB-QGZVFWFLSA-N 2 1 260.425 3.431 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@@H](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246773592 804504898 /nfs/dbraw/zinc/50/48/98/804504898.db2.gz BEBBTTANSKWWJR-NUJGCVRESA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@H](Oc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246781276 804507916 /nfs/dbraw/zinc/50/79/16/804507916.db2.gz FAUBBLLRWMDFRE-RKVPGOIHSA-N 2 1 288.435 3.059 20 0 CGADMP CC[C@H]1CC([N@H+](C)Cc2cccs2)C[C@H](CC)[NH2+]1 ZINC001246783612 804509779 /nfs/dbraw/zinc/50/97/79/804509779.db2.gz PMESBNDDQLWEFL-STQMWFEESA-N 2 1 266.454 3.489 20 0 CGADMP CC[C@H]1CC([N@@H+](C)Cc2cccs2)C[C@H](CC)[NH2+]1 ZINC001246783612 804509783 /nfs/dbraw/zinc/50/97/83/804509783.db2.gz PMESBNDDQLWEFL-STQMWFEESA-N 2 1 266.454 3.489 20 0 CGADMP COCC[C@@H]1CCCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246785752 804512106 /nfs/dbraw/zinc/51/21/06/804512106.db2.gz MONOLNUDDWZCSU-AOCRQIFASA-N 2 1 294.483 3.190 20 0 CGADMP Fc1ccccc1[C@H]1CCCC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246791975 804515821 /nfs/dbraw/zinc/51/58/21/804515821.db2.gz ZLJXZBBXPNVDMU-RHSMWYFYSA-N 2 1 276.399 3.495 20 0 CGADMP C[N@H+](CCOc1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140802862 804520429 /nfs/dbraw/zinc/52/04/29/804520429.db2.gz HCRWQCCMFVJGCK-UHFFFAOYSA-N 2 1 281.359 3.074 20 0 CGADMP C[N@@H+](CCOc1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140802862 804520435 /nfs/dbraw/zinc/52/04/35/804520435.db2.gz HCRWQCCMFVJGCK-UHFFFAOYSA-N 2 1 281.359 3.074 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC001246801237 804521666 /nfs/dbraw/zinc/52/16/66/804521666.db2.gz GICTXJDHGCFUEN-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC1CCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246800374 804522057 /nfs/dbraw/zinc/52/20/57/804522057.db2.gz DIEJENCMAXZTNN-UHFFFAOYSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246799949 804522156 /nfs/dbraw/zinc/52/21/56/804522156.db2.gz PMVLCRFUTQEKGD-KCXAZCMYSA-N 2 1 262.372 3.103 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246799744 804522328 /nfs/dbraw/zinc/52/23/28/804522328.db2.gz ATPNONWXJJUHDS-YXJHDRRASA-N 2 1 288.435 3.363 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246803393 804523870 /nfs/dbraw/zinc/52/38/70/804523870.db2.gz JTKCXIBDMBQOCE-KGLIPLIRSA-N 2 1 276.399 3.146 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC[C@@H]1c1cccc(OC)c1 ZINC001246810157 804526213 /nfs/dbraw/zinc/52/62/13/804526213.db2.gz YMLYVPQSEMVNQC-RHSMWYFYSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@@H](C)C1 ZINC001246809230 804527103 /nfs/dbraw/zinc/52/71/03/804527103.db2.gz GEPNTBKMGQKDFV-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](C)C[C@@H]2C)CC[NH2+]1 ZINC001246811108 804528435 /nfs/dbraw/zinc/52/84/35/804528435.db2.gz SEJFUKXZQHQHBM-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)(C)OC)C[C@H](CC)[NH2+]1 ZINC001246811742 804529025 /nfs/dbraw/zinc/52/90/25/804529025.db2.gz WCODAHIXYVUUGF-FXUDXRNXSA-N 2 1 282.472 3.185 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246814453 804530876 /nfs/dbraw/zinc/53/08/76/804530876.db2.gz PJIRQJSLLIJRTD-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246815685 804532632 /nfs/dbraw/zinc/53/26/32/804532632.db2.gz ZZJOUWBSTIJIEB-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(F)cc2)CC[NH2+]1 ZINC001246820501 804535012 /nfs/dbraw/zinc/53/50/12/804535012.db2.gz GNJJAHYACQWXSX-SJORKVTESA-N 2 1 278.415 3.077 20 0 CGADMP C1CC2(C[C@H]1[N@H+]1CC[C@H]3CCCC[C@H]3C1)CC[NH2+]CC2 ZINC001246833670 804541767 /nfs/dbraw/zinc/54/17/67/804541767.db2.gz ICHWWIJLIMEENZ-IKGGRYGDSA-N 2 1 276.468 3.421 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246835500 804544810 /nfs/dbraw/zinc/54/48/10/804544810.db2.gz TXMHMNOHEANJLC-HOCLYGCPSA-N 2 1 276.399 3.146 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246838613 804546053 /nfs/dbraw/zinc/54/60/53/804546053.db2.gz YVSFVWWFZWEJIM-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246842638 804549533 /nfs/dbraw/zinc/54/95/33/804549533.db2.gz UIYRZHUHAVOQFM-MVJTYMMSSA-N 2 1 272.436 3.458 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246842638 804549539 /nfs/dbraw/zinc/54/95/39/804549539.db2.gz UIYRZHUHAVOQFM-MVJTYMMSSA-N 2 1 272.436 3.458 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001246844583 804553654 /nfs/dbraw/zinc/55/36/54/804553654.db2.gz ZJQYUJFPYIZOQI-MAUKXSAKSA-N 2 1 274.452 3.111 20 0 CGADMP c1ccc(C[N@@H+](C2CCCCC2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001246846091 804554430 /nfs/dbraw/zinc/55/44/30/804554430.db2.gz MWRHZNSQSXOHCT-MCPYQZEQSA-N 2 1 299.462 3.499 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246845821 804554564 /nfs/dbraw/zinc/55/45/64/804554564.db2.gz MCPWMSFQMPXMGX-DLBZAZTESA-N 2 1 260.425 3.211 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001246848693 804557730 /nfs/dbraw/zinc/55/77/30/804557730.db2.gz CNCWZVXPJVVFFQ-OCCSQVGLSA-N 2 1 266.816 3.127 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246847728 804558979 /nfs/dbraw/zinc/55/89/79/804558979.db2.gz MADPSBIVKLIBOF-DLBZAZTESA-N 2 1 272.436 3.253 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001246853367 804561655 /nfs/dbraw/zinc/56/16/55/804561655.db2.gz JSIYTLYLIUIZJK-HOCLYGCPSA-N 2 1 278.415 3.078 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246858109 804563370 /nfs/dbraw/zinc/56/33/70/804563370.db2.gz BDUIBWJBFHNPOS-DLBZAZTESA-N 2 1 278.415 3.424 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246864311 804567870 /nfs/dbraw/zinc/56/78/70/804567870.db2.gz OCWJRVKYNPJXQG-JLAWEPINSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246867666 804569803 /nfs/dbraw/zinc/56/98/03/804569803.db2.gz IKTQJEUSQRMFKT-NKGKWGDASA-N 2 1 270.420 3.106 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C2)cc1 ZINC001246870676 804571108 /nfs/dbraw/zinc/57/11/08/804571108.db2.gz YWPWSOCCBKIDGT-WZGPROSRSA-N 2 1 284.447 3.397 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246867804 804571565 /nfs/dbraw/zinc/57/15/65/804571565.db2.gz JRXGZYYSBBJPQM-OAHLLOKOSA-N 2 1 294.389 3.319 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246875441 804575532 /nfs/dbraw/zinc/57/55/32/804575532.db2.gz VXFQPBBSTQIMBY-MSOLQXFVSA-N 2 1 295.515 3.090 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246887207 804581164 /nfs/dbraw/zinc/58/11/64/804581164.db2.gz KEHYYVMXNPYYIC-KKUMJFAQSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCCC(C)(C)C1 ZINC001246892298 804582650 /nfs/dbraw/zinc/58/26/50/804582650.db2.gz AGHXTZYTIHHRMR-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C2(CC2)C1 ZINC001246892877 804583078 /nfs/dbraw/zinc/58/30/78/804583078.db2.gz JOFVMVDQYYZAJF-SZMVWBNQSA-N 2 1 284.447 3.224 20 0 CGADMP Nc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246889344 804583556 /nfs/dbraw/zinc/58/35/56/804583556.db2.gz PYEQFSYPOMSUQR-GOSISDBHSA-N 2 1 299.462 3.082 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+](C)CCCC[NH3+] ZINC001246896160 804585589 /nfs/dbraw/zinc/58/55/89/804585589.db2.gz XWRGRIDYFXATNS-QGZVFWFLSA-N 2 1 262.441 3.459 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH2+]1 ZINC001246901353 804587859 /nfs/dbraw/zinc/58/78/59/804587859.db2.gz MNDHCVIKQISGAR-DEYYWGMASA-N 2 1 283.419 3.445 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246902746 804588624 /nfs/dbraw/zinc/58/86/24/804588624.db2.gz UGUKTPPWLFSPMR-NXEZDXNNSA-N 2 1 295.430 3.303 20 0 CGADMP C[N@@H+]([C@@H]1CCc2cc(Cl)ccc2C1)C1(C)CC[NH2+]CC1 ZINC001246912319 804594804 /nfs/dbraw/zinc/59/48/04/804594804.db2.gz ROMIBVORIVPTSC-MRXNPFEDSA-N 2 1 292.854 3.271 20 0 CGADMP CCOCC[N@@H+]([C@H](CC)C[C@H](C)CC)C1CC[NH2+]CC1 ZINC001246950020 804615842 /nfs/dbraw/zinc/61/58/42/804615842.db2.gz OIUHFVYZBJFKSB-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246969149 804620312 /nfs/dbraw/zinc/62/03/12/804620312.db2.gz UJSZIDOFGUPIPI-SJORKVTESA-N 2 1 260.425 3.069 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246967993 804620805 /nfs/dbraw/zinc/62/08/05/804620805.db2.gz QFCPDIOYWSQUSH-ZWKOTPCHSA-N 2 1 274.452 3.459 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CCC=C(C)C ZINC001246978990 804625603 /nfs/dbraw/zinc/62/56/03/804625603.db2.gz YEYIDXRLSCPUBD-CVEARBPZSA-N 2 1 252.446 3.443 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC001246982204 804627294 /nfs/dbraw/zinc/62/72/94/804627294.db2.gz AZJAMLLOOSDVBY-BPUTZDHNSA-N 2 1 258.409 3.136 20 0 CGADMP CC[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246984065 804628952 /nfs/dbraw/zinc/62/89/52/804628952.db2.gz HFKDPOPSXDWRKW-KBAYOESNSA-N 2 1 272.436 3.082 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH+]1CCC(c2ccc(F)cc2F)CC1 ZINC001246999050 804634129 /nfs/dbraw/zinc/63/41/29/804634129.db2.gz QCKFCNWCOMQXNM-GFCCVEGCSA-N 2 1 282.378 3.142 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247001561 804634269 /nfs/dbraw/zinc/63/42/69/804634269.db2.gz JLEAMBAMMYJPPQ-WBVHZDCISA-N 2 1 284.447 3.312 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247005019 804637010 /nfs/dbraw/zinc/63/70/10/804637010.db2.gz SWSLDBJVONUPFH-MSOLQXFVSA-N 2 1 274.452 3.459 20 0 CGADMP CCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012199 804640672 /nfs/dbraw/zinc/64/06/72/804640672.db2.gz CUONBFTXPLYHDU-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012199 804640675 /nfs/dbraw/zinc/64/06/75/804640675.db2.gz CUONBFTXPLYHDU-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccn(-c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)c1 ZINC001144253500 804962612 /nfs/dbraw/zinc/96/26/12/804962612.db2.gz ZRAGMACAZPBVOY-UHFFFAOYSA-N 2 1 295.430 3.147 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC001256861840 806994298 /nfs/dbraw/zinc/99/42/98/806994298.db2.gz XFQPEMOTOXQJRU-HUUCEWRRSA-N 2 1 273.424 3.171 20 0 CGADMP COC(=[NH2+])c1cccc(NCC2CC[NH+](C(C)C)CC2)c1 ZINC001166623803 807071936 /nfs/dbraw/zinc/07/19/36/807071936.db2.gz XITYUXQZRRBSJK-UHFFFAOYSA-N 2 1 289.423 3.191 20 0 CGADMP [NH3+]C1(c2cccc(F)c2)CC[NH+](C2CCCC2)CC1 ZINC001257346814 807117472 /nfs/dbraw/zinc/11/74/72/807117472.db2.gz ZGYUPVFRMGVAFI-UHFFFAOYSA-N 2 1 262.372 3.018 20 0 CGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCSC1 ZINC001257665623 807208460 /nfs/dbraw/zinc/20/84/60/807208460.db2.gz DXBVTSHTJPTREN-KKUMJFAQSA-N 2 1 270.486 3.110 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C(F)F)C1 ZINC001167824742 807255929 /nfs/dbraw/zinc/25/59/29/807255929.db2.gz GESCLSLMHRMPMO-KBPBESRZSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2nc(C)sc2C1 ZINC001167826597 807255997 /nfs/dbraw/zinc/25/59/97/807255997.db2.gz RCLIWZMTWXSCST-CYBMUJFWSA-N 2 1 295.496 3.320 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001167827500 807256306 /nfs/dbraw/zinc/25/63/06/807256306.db2.gz XAONWYKEDRZYKW-ROUUACIJSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001167827500 807256310 /nfs/dbraw/zinc/25/63/10/807256310.db2.gz XAONWYKEDRZYKW-ROUUACIJSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001167835232 807259313 /nfs/dbraw/zinc/25/93/13/807259313.db2.gz PIPNSXFKVPOFNE-HZPDHXFCSA-N 2 1 290.455 3.124 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cccnc1C ZINC001167840062 807260299 /nfs/dbraw/zinc/26/02/99/807260299.db2.gz DMZBHAMSTIFVBT-OAHLLOKOSA-N 2 1 277.456 3.332 20 0 CGADMP CC(C)(C)C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167916112 807273689 /nfs/dbraw/zinc/27/36/89/807273689.db2.gz FQOBKPWMENJLAT-HCAJQNDMSA-N 2 1 264.457 3.403 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167952811 807282486 /nfs/dbraw/zinc/28/24/86/807282486.db2.gz QOFXEUBEMCBIDI-NNXHMXCWSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167952811 807282491 /nfs/dbraw/zinc/28/24/91/807282491.db2.gz QOFXEUBEMCBIDI-NNXHMXCWSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167952811 807282496 /nfs/dbraw/zinc/28/24/96/807282496.db2.gz QOFXEUBEMCBIDI-NNXHMXCWSA-N 2 1 262.441 3.124 20 0 CGADMP F[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167959459 807285814 /nfs/dbraw/zinc/28/58/14/807285814.db2.gz PUJDISRYKRBLCM-DQIHPLBOSA-N 2 1 280.431 3.262 20 0 CGADMP c1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167958042 807286537 /nfs/dbraw/zinc/28/65/37/807286537.db2.gz BKAUBOZMCWRZBG-GOOCMWNKSA-N 2 1 276.449 3.243 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167969069 807288037 /nfs/dbraw/zinc/28/80/37/807288037.db2.gz ZFCSRLQZTXNWNC-CCNLRDMRSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167969069 807288042 /nfs/dbraw/zinc/28/80/42/807288042.db2.gz ZFCSRLQZTXNWNC-CCNLRDMRSA-N 2 1 299.462 3.446 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167981825 807290248 /nfs/dbraw/zinc/29/02/48/807290248.db2.gz LWENDHCZNQMGGW-KTFSGNIMSA-N 2 1 262.441 3.124 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167981825 807290251 /nfs/dbraw/zinc/29/02/51/807290251.db2.gz LWENDHCZNQMGGW-KTFSGNIMSA-N 2 1 262.441 3.124 20 0 CGADMP F[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167982870 807291051 /nfs/dbraw/zinc/29/10/51/807291051.db2.gz CYELMWPAEYEMMK-VPSFDDGASA-N 2 1 280.431 3.216 20 0 CGADMP F[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167982870 807291055 /nfs/dbraw/zinc/29/10/55/807291055.db2.gz CYELMWPAEYEMMK-VPSFDDGASA-N 2 1 280.431 3.216 20 0 CGADMP C[C@@H]1C[C@H](C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995110 807293774 /nfs/dbraw/zinc/29/37/74/807293774.db2.gz WQMRIBGOUXJCTH-SSAZZLEASA-N 2 1 276.468 3.370 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001258084648 807297814 /nfs/dbraw/zinc/29/78/14/807297814.db2.gz YQCHERRXTXUNDV-JJXSEGSLSA-N 2 1 250.430 3.194 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258098542 807308410 /nfs/dbraw/zinc/30/84/10/807308410.db2.gz YIUBTRDFOWEIDN-HRCADAONSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258098542 807308417 /nfs/dbraw/zinc/30/84/17/807308417.db2.gz YIUBTRDFOWEIDN-HRCADAONSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258098542 807308424 /nfs/dbraw/zinc/30/84/24/807308424.db2.gz YIUBTRDFOWEIDN-HRCADAONSA-N 2 1 250.430 3.005 20 0 CGADMP C[C@@H]1CC([NH+]2CCC([N@@H+](C)C3CC3)CC2)C[C@@H](C)C1 ZINC001258171262 807338320 /nfs/dbraw/zinc/33/83/20/807338320.db2.gz PQORRHTVCGKTDE-KBPBESRZSA-N 2 1 264.457 3.370 20 0 CGADMP CSCC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258222593 807372077 /nfs/dbraw/zinc/37/20/77/807372077.db2.gz CAPODGGRJWKOKV-HRCADAONSA-N 2 1 284.513 3.467 20 0 CGADMP CSCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258222593 807372084 /nfs/dbraw/zinc/37/20/84/807372084.db2.gz CAPODGGRJWKOKV-HRCADAONSA-N 2 1 284.513 3.467 20 0 CGADMP CSCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258222593 807372089 /nfs/dbraw/zinc/37/20/89/807372089.db2.gz CAPODGGRJWKOKV-HRCADAONSA-N 2 1 284.513 3.467 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001168315784 807379543 /nfs/dbraw/zinc/37/95/43/807379543.db2.gz OWEKEMWZTKLJNQ-JCYILVPMSA-N 2 1 273.424 3.091 20 0 CGADMP C(C1CCOCC1)[N@@H+]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC001258236154 807381341 /nfs/dbraw/zinc/38/13/41/807381341.db2.gz QESRQJFRMPWDHI-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP C(C1CCOCC1)[N@H+]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC001258236154 807381352 /nfs/dbraw/zinc/38/13/52/807381352.db2.gz QESRQJFRMPWDHI-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168368236 807395488 /nfs/dbraw/zinc/39/54/88/807395488.db2.gz DHICDKPDXBJENF-UHFFFAOYSA-N 2 1 284.447 3.448 20 0 CGADMP CC1(C)CCC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001258298889 807403210 /nfs/dbraw/zinc/40/32/10/807403210.db2.gz VVTFZAOMKOWKBC-HNNXBMFYSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168402810 807406527 /nfs/dbraw/zinc/40/65/27/807406527.db2.gz GZEHQIQDOJDTPI-KBXCAEBGSA-N 2 1 290.426 3.005 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258321723 807409669 /nfs/dbraw/zinc/40/96/69/807409669.db2.gz PGUBVYOURUQRRU-FQUUOJAGSA-N 2 1 270.486 3.121 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001258323405 807409830 /nfs/dbraw/zinc/40/98/30/807409830.db2.gz GIAVUUNURKSEKD-GFCCVEGCSA-N 2 1 270.486 3.123 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccc(F)c2)[C@@H](C)C1 ZINC001168473749 807429546 /nfs/dbraw/zinc/42/95/46/807429546.db2.gz HJZMRZHQOFBINH-DAYGRLMNSA-N 2 1 292.442 3.465 20 0 CGADMP CCCCC(CCCC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258383653 807434183 /nfs/dbraw/zinc/43/41/83/807434183.db2.gz SVLRFZUVWZVSGD-UHFFFAOYSA-N 2 1 284.488 3.436 20 0 CGADMP C[C@H](CC1CC1)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001258453500 807459548 /nfs/dbraw/zinc/45/95/48/807459548.db2.gz AZZBMWHERDOTRM-LSDHHAIUSA-N 2 1 260.425 3.272 20 0 CGADMP C[C@H](CC1CC1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258453323 807459775 /nfs/dbraw/zinc/45/97/75/807459775.db2.gz OTRBNVYKEFLHDS-ZTFGCOKTSA-N 2 1 287.451 3.342 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168695229 807486259 /nfs/dbraw/zinc/48/62/59/807486259.db2.gz YECFNYOVWPOKEH-COXVUDFISA-N 2 1 292.854 3.270 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC13CC4CC(CC(C4)C1)C3)C2 ZINC001169096856 807573406 /nfs/dbraw/zinc/57/34/06/807573406.db2.gz ZCWGFTMOQOTRCF-NAKGGRRYSA-N 2 1 288.479 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCSCc1ccccc1)C2 ZINC001169099118 807575278 /nfs/dbraw/zinc/57/52/78/807575278.db2.gz NNMHACVVQUAPPE-OSYLJGHBSA-N 2 1 290.476 3.135 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001169098069 807576684 /nfs/dbraw/zinc/57/66/84/807576684.db2.gz FJKMEQIABAAYFO-MIGQKNRLSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(F)ccc31)C2 ZINC001169108968 807579540 /nfs/dbraw/zinc/57/95/40/807579540.db2.gz XHCRPKGGAKVGMC-MPTYRVRUSA-N 2 1 274.383 3.028 20 0 CGADMP COc1cccc(C(C)(C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169115296 807580826 /nfs/dbraw/zinc/58/08/26/807580826.db2.gz IHTFYRWGBNABFQ-MUJYYYPQSA-N 2 1 288.435 3.145 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(F)cc1Cl)C2 ZINC001169110506 807581397 /nfs/dbraw/zinc/58/13/97/807581397.db2.gz LVTDUUFGOQQYKP-QKDCVEJESA-N 2 1 296.817 3.236 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3c(F)cccc31)C2 ZINC001169117122 807582723 /nfs/dbraw/zinc/58/27/23/807582723.db2.gz VVQMJUYSYZRIEI-ZUMXRPEOSA-N 2 1 288.410 3.418 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144629 807590621 /nfs/dbraw/zinc/59/06/21/807590621.db2.gz KVUGHSAIPHPPLE-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144629 807590624 /nfs/dbraw/zinc/59/06/24/807590624.db2.gz KVUGHSAIPHPPLE-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144629 807590630 /nfs/dbraw/zinc/59/06/30/807590630.db2.gz KVUGHSAIPHPPLE-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001169142807 807590852 /nfs/dbraw/zinc/59/08/52/807590852.db2.gz WCQKTKWUCLXRBS-INDMIFKZSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001169142807 807590856 /nfs/dbraw/zinc/59/08/56/807590856.db2.gz WCQKTKWUCLXRBS-INDMIFKZSA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001169142807 807590858 /nfs/dbraw/zinc/59/08/58/807590858.db2.gz WCQKTKWUCLXRBS-INDMIFKZSA-N 2 1 284.447 3.491 20 0 CGADMP CC1(C)C[C@@H](Nc2cccn3cc[nH+]c23)C[C@](C)(C[NH3+])C1 ZINC001169149124 807594318 /nfs/dbraw/zinc/59/43/18/807594318.db2.gz YCWXGWPKHXXYGB-DYVFJYSZSA-N 2 1 286.423 3.290 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152179 807595091 /nfs/dbraw/zinc/59/50/91/807595091.db2.gz AAOIFFJUCUWTQM-NKGKWGDASA-N 2 1 270.420 3.058 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152179 807595095 /nfs/dbraw/zinc/59/50/95/807595095.db2.gz AAOIFFJUCUWTQM-NKGKWGDASA-N 2 1 270.420 3.058 20 0 CGADMP C[C@@H]1Cc2ccccc2C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152179 807595102 /nfs/dbraw/zinc/59/51/02/807595102.db2.gz AAOIFFJUCUWTQM-NKGKWGDASA-N 2 1 270.420 3.058 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3sccc32)CC1 ZINC001258771133 807604887 /nfs/dbraw/zinc/60/48/87/807604887.db2.gz VYJAMSTUPQRHKW-CQSZACIVSA-N 2 1 264.438 3.199 20 0 CGADMP CCCN1CCC([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001258777390 807606345 /nfs/dbraw/zinc/60/63/45/807606345.db2.gz SXLRTVVWECGUGK-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CCCN1CCC([N@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001258777390 807606350 /nfs/dbraw/zinc/60/63/50/807606350.db2.gz SXLRTVVWECGUGK-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001258777390 807606352 /nfs/dbraw/zinc/60/63/52/807606352.db2.gz SXLRTVVWECGUGK-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001258777390 807606357 /nfs/dbraw/zinc/60/63/57/807606357.db2.gz SXLRTVVWECGUGK-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258789714 807614638 /nfs/dbraw/zinc/61/46/38/807614638.db2.gz DFHYGASUYVKIAI-XUWVNRHRSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258789714 807614640 /nfs/dbraw/zinc/61/46/40/807614640.db2.gz DFHYGASUYVKIAI-XUWVNRHRSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258789714 807614644 /nfs/dbraw/zinc/61/46/44/807614644.db2.gz DFHYGASUYVKIAI-XUWVNRHRSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC(c3cccs3)CC2)CC1 ZINC001169258980 807616846 /nfs/dbraw/zinc/61/68/46/807616846.db2.gz XCJVMEMILACESB-UHFFFAOYSA-N 2 1 278.465 3.412 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001258907143 807672362 /nfs/dbraw/zinc/67/23/62/807672362.db2.gz GMWCYDVUQFNDLO-YESZJQIVSA-N 2 1 294.483 3.331 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n(C2CC2)c1 ZINC001261255154 807722334 /nfs/dbraw/zinc/72/23/34/807722334.db2.gz ORUMCCHXEMHNCK-INIZCTEOSA-N 2 1 287.451 3.131 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n(C2CC2)c1 ZINC001261255154 807722342 /nfs/dbraw/zinc/72/23/42/807722342.db2.gz ORUMCCHXEMHNCK-INIZCTEOSA-N 2 1 287.451 3.131 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001170088170 807752365 /nfs/dbraw/zinc/75/23/65/807752365.db2.gz OTJXCLBSPCZHAD-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001170088170 807752369 /nfs/dbraw/zinc/75/23/69/807752369.db2.gz OTJXCLBSPCZHAD-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001170088170 807752370 /nfs/dbraw/zinc/75/23/70/807752370.db2.gz OTJXCLBSPCZHAD-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001170117831 807764108 /nfs/dbraw/zinc/76/41/08/807764108.db2.gz NWXGQNDBCMDKGR-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001170117831 807764110 /nfs/dbraw/zinc/76/41/10/807764110.db2.gz NWXGQNDBCMDKGR-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C1 ZINC001170141106 807774107 /nfs/dbraw/zinc/77/41/07/807774107.db2.gz YJEOMLYOCUFXPZ-PMPSAXMXSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170196127 807792543 /nfs/dbraw/zinc/79/25/43/807792543.db2.gz RXAMVFAYKIPCPP-VDHUWJSZSA-N 2 1 294.483 3.459 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCO1 ZINC001170222672 807796578 /nfs/dbraw/zinc/79/65/78/807796578.db2.gz OPRRZZDFTPMNAL-RCCFBDPRSA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CCc3ccc(F)cc3)C[C@@H]2C1 ZINC001262379379 807863020 /nfs/dbraw/zinc/86/30/20/807863020.db2.gz YQLVHQZOVLYXHE-XYJFISCASA-N 2 1 290.426 3.030 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001170600831 807863363 /nfs/dbraw/zinc/86/33/63/807863363.db2.gz FMTPYVJYRMEYJA-HNNXBMFYSA-N 2 1 263.429 3.490 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001170600831 807863371 /nfs/dbraw/zinc/86/33/71/807863371.db2.gz FMTPYVJYRMEYJA-HNNXBMFYSA-N 2 1 263.429 3.490 20 0 CGADMP CC(C)[N@@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170738158 807895548 /nfs/dbraw/zinc/89/55/48/807895548.db2.gz KQXUQGPZPWZQDQ-JHJNDJDLSA-N 2 1 264.457 3.401 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170903186 807929383 /nfs/dbraw/zinc/92/93/83/807929383.db2.gz UCDOWDKFHYYJMZ-LSDHHAIUSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170903183 807929951 /nfs/dbraw/zinc/92/99/51/807929951.db2.gz UCDOWDKFHYYJMZ-CABCVRRESA-N 2 1 292.854 3.271 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170956889 807946062 /nfs/dbraw/zinc/94/60/62/807946062.db2.gz IOAYVRSZTMKYNY-GOEBONIOSA-N 2 1 290.426 3.005 20 0 CGADMP Cc1[nH+]ccc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1F ZINC001171099306 807983921 /nfs/dbraw/zinc/98/39/21/807983921.db2.gz MJQKMWQCDRKEJA-GFCCVEGCSA-N 2 1 295.361 3.289 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@](C)(F)[C@H](F)C2)CC1(C)C ZINC001171630823 808107418 /nfs/dbraw/zinc/10/74/18/808107418.db2.gz CUARFSLTBLMWEW-CZUORRHYSA-N 2 1 288.426 3.410 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@](C)(F)[C@H](F)C2)CC1(C)C ZINC001171630823 808107419 /nfs/dbraw/zinc/10/74/19/808107419.db2.gz CUARFSLTBLMWEW-CZUORRHYSA-N 2 1 288.426 3.410 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@](C)(CO)CC2)CC1(C)C ZINC001171632130 808109652 /nfs/dbraw/zinc/10/96/52/808109652.db2.gz VRETXBPHYKLWDH-GOSISDBHSA-N 2 1 296.499 3.122 20 0 CGADMP C[N@@H+](C[C@@H]1CCCCO1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638454 808111708 /nfs/dbraw/zinc/11/17/08/808111708.db2.gz YJDXUEJNFPKCPC-HNNXBMFYSA-N 2 1 282.472 3.139 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCc1ccccc1)C2 ZINC001172098839 808169949 /nfs/dbraw/zinc/16/99/49/808169949.db2.gz CIGCOPMGNPXFFC-BCDXTJNWSA-N 2 1 272.436 3.224 20 0 CGADMP Cn1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172099974 808171498 /nfs/dbraw/zinc/17/14/98/808171498.db2.gz NYOJNNKKOHHNSM-BJWYYQGGSA-N 2 1 297.446 3.283 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C2 ZINC001172099044 808172348 /nfs/dbraw/zinc/17/23/48/808172348.db2.gz HXDJDOQMMNZXQR-SYQHCUMBSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC001172101139 808172860 /nfs/dbraw/zinc/17/28/60/808172860.db2.gz WHESFQYMXBCSST-BTTYYORXSA-N 2 1 264.438 3.161 20 0 CGADMP Cc1cccnc1C1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172109883 808177711 /nfs/dbraw/zinc/17/77/11/808177711.db2.gz GLKGZLUUMUZIDX-BJWYYQGGSA-N 2 1 299.462 3.027 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccc(F)cc3C1)C2 ZINC001172121058 808182896 /nfs/dbraw/zinc/18/28/96/808182896.db2.gz BVZHCVNZOLGCNH-FVQHAEBGSA-N 2 1 274.383 3.157 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccc(F)cc3C1)C2 ZINC001172121058 808182898 /nfs/dbraw/zinc/18/28/98/808182898.db2.gz BVZHCVNZOLGCNH-FVQHAEBGSA-N 2 1 274.383 3.157 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccc(F)cc3C1)C2 ZINC001172121058 808182905 /nfs/dbraw/zinc/18/29/05/808182905.db2.gz BVZHCVNZOLGCNH-FVQHAEBGSA-N 2 1 274.383 3.157 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)C2 ZINC001172119291 808182977 /nfs/dbraw/zinc/18/29/77/808182977.db2.gz YBFOOYKNNMYQEP-ZJPYXAASSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)C2 ZINC001172119291 808182981 /nfs/dbraw/zinc/18/29/81/808182981.db2.gz YBFOOYKNNMYQEP-ZJPYXAASSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC3(CCCCC3)C1)C2 ZINC001172129164 808184754 /nfs/dbraw/zinc/18/47/54/808184754.db2.gz XGUVWDXGMPIHHK-BJWYYQGGSA-N 2 1 292.467 3.037 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCOC3(CCCCC3)C1)C2 ZINC001172129164 808184761 /nfs/dbraw/zinc/18/47/61/808184761.db2.gz XGUVWDXGMPIHHK-BJWYYQGGSA-N 2 1 292.467 3.037 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCOC3(CCCCC3)C1)C2 ZINC001172129164 808184766 /nfs/dbraw/zinc/18/47/66/808184766.db2.gz XGUVWDXGMPIHHK-BJWYYQGGSA-N 2 1 292.467 3.037 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001172367256 808262386 /nfs/dbraw/zinc/26/23/86/808262386.db2.gz KVEACMOBCXWVTB-YTLBIWTGSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172367256 808262388 /nfs/dbraw/zinc/26/23/88/808262388.db2.gz KVEACMOBCXWVTB-YTLBIWTGSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@@H]1C ZINC001172373691 808268248 /nfs/dbraw/zinc/26/82/48/808268248.db2.gz MXDHRQUTUSKBBS-VYDXJSESSA-N 2 1 276.468 3.229 20 0 CGADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172441390 808317011 /nfs/dbraw/zinc/31/70/11/808317011.db2.gz MORASYCALRIJEK-WBVHZDCISA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172441390 808317018 /nfs/dbraw/zinc/31/70/18/808317018.db2.gz MORASYCALRIJEK-WBVHZDCISA-N 2 1 282.472 3.044 20 0 CGADMP CC[NH+](CC)C1CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172471219 808339119 /nfs/dbraw/zinc/33/91/19/808339119.db2.gz RIHZTYMYMLHZAO-MRXNPFEDSA-N 2 1 284.488 3.244 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172559128 808387572 /nfs/dbraw/zinc/38/75/72/808387572.db2.gz XEUYRXKCILWHJI-IAGOWNOFSA-N 2 1 260.425 3.206 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1c(F)cccc1Cl ZINC001172840537 808454711 /nfs/dbraw/zinc/45/47/11/808454711.db2.gz DORDBUJIKNVLAN-SNVBAGLBSA-N 2 1 295.789 3.289 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([N@@H+](C)C3CC3)CC1)CC2 ZINC001172841675 808456259 /nfs/dbraw/zinc/45/62/59/808456259.db2.gz HFDLOLFMCJLVEO-FQEVSTJZSA-N 2 1 298.474 3.411 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001173109371 808511947 /nfs/dbraw/zinc/51/19/47/808511947.db2.gz HNWAWBRFTMMEHE-GPANFISMSA-N 2 1 270.436 3.321 20 0 CGADMP CC[NH+](CC)C1CCC(N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001173114396 808513661 /nfs/dbraw/zinc/51/36/61/808513661.db2.gz IOJMHBVUUNIMIK-UHFFFAOYSA-N 2 1 295.515 3.056 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001173252127 808559153 /nfs/dbraw/zinc/55/91/53/808559153.db2.gz IDHRDLQTDVQSLP-MPGHIAIKSA-N 2 1 274.452 3.110 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001173252127 808559155 /nfs/dbraw/zinc/55/91/55/808559155.db2.gz IDHRDLQTDVQSLP-MPGHIAIKSA-N 2 1 274.452 3.110 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001173297082 808596775 /nfs/dbraw/zinc/59/67/75/808596775.db2.gz BGAZZMKAUSMALH-CQSZACIVSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cccc2)cc1 ZINC001275040913 808901078 /nfs/dbraw/zinc/90/10/78/808901078.db2.gz WKZBEHWUPDJELX-JLYLLQBASA-N 2 1 295.430 3.192 20 0 CGADMP CC(C)CC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275102279 808907614 /nfs/dbraw/zinc/90/76/14/808907614.db2.gz JZUHTSKBUQYUQC-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)CC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275102279 808907619 /nfs/dbraw/zinc/90/76/19/808907619.db2.gz JZUHTSKBUQYUQC-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CCOc1cccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001276394877 809005390 /nfs/dbraw/zinc/00/53/90/809005390.db2.gz LZYWDAOCUMXSOK-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276465330 809011232 /nfs/dbraw/zinc/01/12/32/809011232.db2.gz GPNAUTNNRLBGRI-AWFCHZOYSA-N 2 1 250.430 3.151 20 0 CGADMP CC/C=C\CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276465330 809011238 /nfs/dbraw/zinc/01/12/38/809011238.db2.gz GPNAUTNNRLBGRI-AWFCHZOYSA-N 2 1 250.430 3.151 20 0 CGADMP CC/C=C\CCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276465330 809011248 /nfs/dbraw/zinc/01/12/48/809011248.db2.gz GPNAUTNNRLBGRI-AWFCHZOYSA-N 2 1 250.430 3.151 20 0 CGADMP Cc1ccc([C@H](C)CC[NH+]2CCC3(CC[N@@H+](C)C3)CC2)o1 ZINC001276470408 809011393 /nfs/dbraw/zinc/01/13/93/809011393.db2.gz OBAUKFZWZFSORP-OAHLLOKOSA-N 2 1 290.451 3.499 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C3CC3)cc1)C2 ZINC001276819870 809033717 /nfs/dbraw/zinc/03/37/17/809033717.db2.gz ZUVPPIIZHRSBCZ-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001276819870 809033724 /nfs/dbraw/zinc/03/37/24/809033724.db2.gz ZUVPPIIZHRSBCZ-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001276819870 809033730 /nfs/dbraw/zinc/03/37/30/809033730.db2.gz ZUVPPIIZHRSBCZ-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP FC(F)(F)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1 ZINC001277695296 809089146 /nfs/dbraw/zinc/08/91/46/809089146.db2.gz XUVZGCSXPUMLOE-OKILXGFUSA-N 2 1 299.340 3.077 20 0 CGADMP FCCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001278205635 809119527 /nfs/dbraw/zinc/11/95/27/809119527.db2.gz PWPAQSGGKBYFRL-QGZVFWFLSA-N 2 1 293.430 3.052 20 0 CGADMP FCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001278205635 809119530 /nfs/dbraw/zinc/11/95/30/809119530.db2.gz PWPAQSGGKBYFRL-QGZVFWFLSA-N 2 1 293.430 3.052 20 0 CGADMP FCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001278205635 809119532 /nfs/dbraw/zinc/11/95/32/809119532.db2.gz PWPAQSGGKBYFRL-QGZVFWFLSA-N 2 1 293.430 3.052 20 0 CGADMP FCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001278205635 809119537 /nfs/dbraw/zinc/11/95/37/809119537.db2.gz PWPAQSGGKBYFRL-QGZVFWFLSA-N 2 1 293.430 3.052 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCc1ccccc1 ZINC001175690245 809505671 /nfs/dbraw/zinc/50/56/71/809505671.db2.gz WQSYBBGUIQAFAJ-UHFFFAOYSA-N 2 1 274.452 3.427 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC001177092891 809780178 /nfs/dbraw/zinc/78/01/78/809780178.db2.gz MHOUORYVLMJBQP-UHFFFAOYSA-N 2 1 294.487 3.076 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc(C)n1 ZINC001177299518 809792408 /nfs/dbraw/zinc/79/24/08/809792408.db2.gz TZWAJPRKGVPIRC-KRWDZBQOSA-N 2 1 289.467 3.443 20 0 CGADMP CC(C)Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC001177328366 809794223 /nfs/dbraw/zinc/79/42/23/809794223.db2.gz LIIKTFOQEYKHEM-MRXNPFEDSA-N 2 1 289.467 3.102 20 0 CGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1F ZINC001177337339 809795101 /nfs/dbraw/zinc/79/51/01/809795101.db2.gz DYIXLIKRCZRKHK-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP COc1ccccc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC001177943415 809834505 /nfs/dbraw/zinc/83/45/05/809834505.db2.gz QWOPHKWKCRUEIV-UHFFFAOYSA-N 2 1 278.440 3.294 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001179824470 809948791 /nfs/dbraw/zinc/94/87/91/809948791.db2.gz AYPZILXVMJSYIX-CYBMUJFWSA-N 2 1 252.377 3.036 20 0 CGADMP CNc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001180149006 809978927 /nfs/dbraw/zinc/97/89/27/809978927.db2.gz SHRFPQLLYBMDPL-KRWDZBQOSA-N 2 1 287.451 3.179 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001182716027 810121341 /nfs/dbraw/zinc/12/13/41/810121341.db2.gz SWUDNURPBRMNMK-JYJNAYRXSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc(C[C@@H]2C[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001184339728 810194351 /nfs/dbraw/zinc/19/43/51/810194351.db2.gz SARXQLXGDNMBRJ-IAGOWNOFSA-N 2 1 284.447 3.082 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCc3ccccc3CC2)CCCC1 ZINC001199028072 811554938 /nfs/dbraw/zinc/55/49/38/811554938.db2.gz OLBNEUOZBKUUHV-UHFFFAOYSA-N 2 1 286.463 3.398 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CC(C)(C)C)C[C@H]3C2)cc1 ZINC001201434106 811844824 /nfs/dbraw/zinc/84/48/24/811844824.db2.gz BTIMFLRKIFCBNW-HDICACEKSA-N 2 1 286.463 3.405 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CC(C)(C)C)C[C@H]3C2)cc1 ZINC001201434106 811844835 /nfs/dbraw/zinc/84/48/35/811844835.db2.gz BTIMFLRKIFCBNW-HDICACEKSA-N 2 1 286.463 3.405 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC(C)(C)C)C[C@H]3C2)cc1 ZINC001201434106 811844841 /nfs/dbraw/zinc/84/48/41/811844841.db2.gz BTIMFLRKIFCBNW-HDICACEKSA-N 2 1 286.463 3.405 20 0 CGADMP CC(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201478493 811856798 /nfs/dbraw/zinc/85/67/98/811856798.db2.gz MYIPPBJMSUUDDX-QZTJIDSGSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201478493 811856808 /nfs/dbraw/zinc/85/68/08/811856808.db2.gz MYIPPBJMSUUDDX-QZTJIDSGSA-N 2 1 272.436 3.096 20 0 CGADMP COCC[N@@H+](C[C@H](C)CCC=C(C)C)C1CCN(C)CC1 ZINC001201489877 811862894 /nfs/dbraw/zinc/86/28/94/811862894.db2.gz HRFJBACHAQLGQA-QGZVFWFLSA-N 2 1 296.499 3.412 20 0 CGADMP CC[C@H](C)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201503304 811872182 /nfs/dbraw/zinc/87/21/82/811872182.db2.gz OFFSGBAPLQBUFX-GJZGRUSLSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@H](C)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201503304 811872186 /nfs/dbraw/zinc/87/21/86/811872186.db2.gz OFFSGBAPLQBUFX-GJZGRUSLSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@H](C)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201503304 811872197 /nfs/dbraw/zinc/87/21/97/811872197.db2.gz OFFSGBAPLQBUFX-GJZGRUSLSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@H](C)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201503304 811872208 /nfs/dbraw/zinc/87/22/08/811872208.db2.gz OFFSGBAPLQBUFX-GJZGRUSLSA-N 2 1 292.471 3.146 20 0 CGADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201515478 811877830 /nfs/dbraw/zinc/87/78/30/811877830.db2.gz NJWGTHJBQICVAX-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201515478 811877840 /nfs/dbraw/zinc/87/78/40/811877840.db2.gz NJWGTHJBQICVAX-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201515478 811877848 /nfs/dbraw/zinc/87/78/48/811877848.db2.gz NJWGTHJBQICVAX-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CCC2)CC1 ZINC001202740196 812162405 /nfs/dbraw/zinc/16/24/05/812162405.db2.gz WYONZKJKTYTYTD-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC001204045335 812532218 /nfs/dbraw/zinc/53/22/18/812532218.db2.gz PGAUTQNCAMISGZ-UHFFFAOYSA-N 2 1 266.454 3.444 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC001204045335 812532220 /nfs/dbraw/zinc/53/22/20/812532220.db2.gz PGAUTQNCAMISGZ-UHFFFAOYSA-N 2 1 266.454 3.444 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)cc1 ZINC001204168219 812563159 /nfs/dbraw/zinc/56/31/59/812563159.db2.gz KLNASFTXXMKPNR-MSOLQXFVSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)c1ccc(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001204168219 812563164 /nfs/dbraw/zinc/56/31/64/812563164.db2.gz KLNASFTXXMKPNR-MSOLQXFVSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)c1ccc(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001204168219 812563171 /nfs/dbraw/zinc/56/31/71/812563171.db2.gz KLNASFTXXMKPNR-MSOLQXFVSA-N 2 1 272.436 3.336 20 0 CGADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c2ccccc21 ZINC001204326946 812614729 /nfs/dbraw/zinc/61/47/29/812614729.db2.gz ZKWLKLVJXYOYIR-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(C)c3)C[C@@H]2C1 ZINC001204524175 812666712 /nfs/dbraw/zinc/66/67/12/812666712.db2.gz MIHYRKUTHGMRIA-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@H]2C1 ZINC001204524175 812666717 /nfs/dbraw/zinc/66/67/17/812666717.db2.gz MIHYRKUTHGMRIA-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2C1 ZINC001204524175 812666719 /nfs/dbraw/zinc/66/67/19/812666719.db2.gz MIHYRKUTHGMRIA-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)oc1C ZINC001204541992 812674173 /nfs/dbraw/zinc/67/41/73/812674173.db2.gz QWZGXDYPOFXVPO-OAHLLOKOSA-N 2 1 286.375 3.253 20 0 CGADMP C[NH+](C)Cc1ccc(-c2ccc3c(c2)CC[N@H+](C)C3)cc1 ZINC001204642449 812699410 /nfs/dbraw/zinc/69/94/10/812699410.db2.gz TUMNFOYLUYDQJI-UHFFFAOYSA-N 2 1 280.415 3.403 20 0 CGADMP CC(C)[N@@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC001204697992 812710572 /nfs/dbraw/zinc/71/05/72/812710572.db2.gz YQQUGQVVTAVZGA-UHFFFAOYSA-N 2 1 274.452 3.281 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001204727903 812718661 /nfs/dbraw/zinc/71/86/61/812718661.db2.gz VJBXXMCGTHZHPB-SJORKVTESA-N 2 1 276.468 3.444 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@@](C)([NH3+])C1)c1cccc2ccccc21 ZINC001204763427 812729460 /nfs/dbraw/zinc/72/94/60/812729460.db2.gz JYLLLUUAPLNDFM-KBXCAEBGSA-N 2 1 268.404 3.366 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@](C)([NH3+])C1)c1cccc2ccccc21 ZINC001204763427 812729463 /nfs/dbraw/zinc/72/94/63/812729463.db2.gz JYLLLUUAPLNDFM-KBXCAEBGSA-N 2 1 268.404 3.366 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001204848820 812752901 /nfs/dbraw/zinc/75/29/01/812752901.db2.gz UVQOQYNOSGXVLC-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001204848820 812752905 /nfs/dbraw/zinc/75/29/05/812752905.db2.gz UVQOQYNOSGXVLC-DLBZAZTESA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)cc2)c1 ZINC001204918869 812775363 /nfs/dbraw/zinc/77/53/63/812775363.db2.gz OHRCTXRYBNELRL-OWZKRDHZSA-N 2 1 292.426 3.299 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(F)cccc32)CC1 ZINC001204999707 812816532 /nfs/dbraw/zinc/81/65/32/812816532.db2.gz DZDQZKSXEASQKK-INIZCTEOSA-N 2 1 292.398 3.113 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H]2CC=C(C)C2(C)C)C1 ZINC001205000798 812817460 /nfs/dbraw/zinc/81/74/60/812817460.db2.gz KSWMZTNJBKFVNJ-CVEARBPZSA-N 2 1 264.457 3.300 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@H](C[NH2+]C)C3)cc21 ZINC001205009552 812821865 /nfs/dbraw/zinc/82/18/65/812821865.db2.gz WXPGGFFWISFPLZ-INIZCTEOSA-N 2 1 285.435 3.093 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)ccc2OC(C)C)C1 ZINC001205017949 812828175 /nfs/dbraw/zinc/82/81/75/812828175.db2.gz QDGGWLBRVUXBOJ-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2OC(C)C)C1 ZINC001205017949 812828184 /nfs/dbraw/zinc/82/81/84/812828184.db2.gz QDGGWLBRVUXBOJ-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205018701 812828430 /nfs/dbraw/zinc/82/84/30/812828430.db2.gz YGLYIDIPBJOHRP-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205018701 812828442 /nfs/dbraw/zinc/82/84/42/812828442.db2.gz YGLYIDIPBJOHRP-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001205088357 812854767 /nfs/dbraw/zinc/85/47/67/812854767.db2.gz OLWXLIPNGZFROB-NUEKZKHPSA-N 2 1 278.827 3.257 20 0 CGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109949 812870987 /nfs/dbraw/zinc/87/09/87/812870987.db2.gz NQJOWGNLGNXELI-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109949 812870995 /nfs/dbraw/zinc/87/09/95/812870995.db2.gz NQJOWGNLGNXELI-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001205117831 812875265 /nfs/dbraw/zinc/87/52/65/812875265.db2.gz WSEUIUAIRODRKG-KRWDZBQOSA-N 2 1 299.393 3.201 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001205124417 812879281 /nfs/dbraw/zinc/87/92/81/812879281.db2.gz QVEHANDDSQYCKO-QGZVFWFLSA-N 2 1 258.409 3.267 20 0 CGADMP Cc1ccc(-c2cncc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC001205151536 812889151 /nfs/dbraw/zinc/88/91/51/812889151.db2.gz WMECIZQYIKAYSP-HNAYVOBHSA-N 2 1 295.430 3.084 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC001205257423 812918536 /nfs/dbraw/zinc/91/85/36/812918536.db2.gz VIUJETIPHNXFEA-MRXNPFEDSA-N 2 1 280.843 3.476 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c[nH]c2c1 ZINC001205266489 812922002 /nfs/dbraw/zinc/92/20/02/812922002.db2.gz VGEIVXYMTVYKEB-QGZVFWFLSA-N 2 1 271.408 3.180 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@](C)([NH3+])CC3)cc2c1 ZINC001205264043 812922181 /nfs/dbraw/zinc/92/21/81/812922181.db2.gz HAFNXPQDICUVSM-KRWDZBQOSA-N 2 1 271.408 3.180 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC001205273418 812925176 /nfs/dbraw/zinc/92/51/76/812925176.db2.gz KNROMSUCAMBJGE-INIZCTEOSA-N 2 1 258.365 3.136 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288910 812932920 /nfs/dbraw/zinc/93/29/20/812932920.db2.gz PZBJNTFJDGYHNH-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C[C@@H]1C[NH3+] ZINC001205304048 812942616 /nfs/dbraw/zinc/94/26/16/812942616.db2.gz NGQNDSVMEVCROH-NEPJUHHUSA-N 2 1 291.826 3.238 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1CC ZINC001205305548 812943699 /nfs/dbraw/zinc/94/36/99/812943699.db2.gz SLIARCAEEJOVJR-PBHICJAKSA-N 2 1 290.451 3.064 20 0 CGADMP Cc1nc2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)ccc2s1 ZINC001205317349 812951406 /nfs/dbraw/zinc/95/14/06/812951406.db2.gz OCORHVFVHGSXDO-FZMZJTMJSA-N 2 1 289.448 3.021 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(F)c1 ZINC001205319072 812952524 /nfs/dbraw/zinc/95/25/24/812952524.db2.gz YFUJCJMLRLYRSP-HIFRSBDPSA-N 2 1 294.414 3.030 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(F)c1 ZINC001205319072 812952526 /nfs/dbraw/zinc/95/25/26/812952526.db2.gz YFUJCJMLRLYRSP-HIFRSBDPSA-N 2 1 294.414 3.030 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC001205326458 812955908 /nfs/dbraw/zinc/95/59/08/812955908.db2.gz ZMKDOAUEYLNHEW-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ccccc2c1 ZINC001205326458 812955914 /nfs/dbraw/zinc/95/59/14/812955914.db2.gz ZMKDOAUEYLNHEW-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205332324 812959371 /nfs/dbraw/zinc/95/93/71/812959371.db2.gz OMTYALFYCLFDLV-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205332324 812959376 /nfs/dbraw/zinc/95/93/76/812959376.db2.gz OMTYALFYCLFDLV-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC001205545730 812999730 /nfs/dbraw/zinc/99/97/30/812999730.db2.gz MSKAISGCOQHIFB-HNNXBMFYSA-N 2 1 284.806 3.035 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001205546773 812999798 /nfs/dbraw/zinc/99/97/98/812999798.db2.gz YQVRZEKTMPHJNT-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2coc3ccc(F)cc23)CC1 ZINC001205570010 813006310 /nfs/dbraw/zinc/00/63/10/813006310.db2.gz CKYNZGFLEUPTMP-INIZCTEOSA-N 2 1 294.345 3.225 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc3c2CCCC3)CC1 ZINC001205580198 813010876 /nfs/dbraw/zinc/01/08/76/813010876.db2.gz RKPARLOLCSRKGJ-GOSISDBHSA-N 2 1 290.426 3.218 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Cl)nc1C ZINC001205592576 813014249 /nfs/dbraw/zinc/01/42/49/813014249.db2.gz WPRQREDDCNZLJV-HNNXBMFYSA-N 2 1 299.821 3.005 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205592023 813015208 /nfs/dbraw/zinc/01/52/08/813015208.db2.gz QACMPBDCXIVCDM-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC001205600078 813017670 /nfs/dbraw/zinc/01/76/70/813017670.db2.gz WUTVEIOCTCYFLP-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205602664 813019376 /nfs/dbraw/zinc/01/93/76/813019376.db2.gz LDYQIQFKFHQVLW-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205602665 813019458 /nfs/dbraw/zinc/01/94/58/813019458.db2.gz LDYQIQFKFHQVLW-VXGBXAGGSA-N 2 1 284.806 3.286 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(C)c1 ZINC001205617902 813028510 /nfs/dbraw/zinc/02/85/10/813028510.db2.gz PAIJUZYXKOLCIP-GDBMZVCRSA-N 2 1 290.451 3.201 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)cc21 ZINC001205618006 813029596 /nfs/dbraw/zinc/02/95/96/813029596.db2.gz QOOJNVNUGSOJAB-CRAIPNDOSA-N 2 1 299.462 3.468 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)CC[C@@H]1C[NH3+] ZINC001205618276 813029649 /nfs/dbraw/zinc/02/96/49/813029649.db2.gz UAWQFMMPCDZVDB-UKRRQHHQSA-N 2 1 272.392 3.240 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205628816 813034508 /nfs/dbraw/zinc/03/45/08/813034508.db2.gz XBDKEPFMKVRHMZ-QWHCGFSZSA-N 2 1 296.842 3.155 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205628807 813034895 /nfs/dbraw/zinc/03/48/95/813034895.db2.gz XBDKEPFMKVRHMZ-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1C ZINC001205777998 813075103 /nfs/dbraw/zinc/07/51/03/813075103.db2.gz FZAXRUVOKOKSLE-HNNXBMFYSA-N 2 1 282.378 3.028 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1C ZINC001205777998 813075114 /nfs/dbraw/zinc/07/51/14/813075114.db2.gz FZAXRUVOKOKSLE-HNNXBMFYSA-N 2 1 282.378 3.028 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205780096 813075973 /nfs/dbraw/zinc/07/59/73/813075973.db2.gz ONORHQDCNRAZFP-OAHLLOKOSA-N 2 1 296.405 3.400 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205780096 813075981 /nfs/dbraw/zinc/07/59/81/813075981.db2.gz ONORHQDCNRAZFP-OAHLLOKOSA-N 2 1 296.405 3.400 20 0 CGADMP COc1ccc2cc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])ccc2c1 ZINC001205805798 813085812 /nfs/dbraw/zinc/08/58/12/813085812.db2.gz RWBAPPOFLUXIFN-KBXCAEBGSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])ccc2c1 ZINC001205805798 813085822 /nfs/dbraw/zinc/08/58/22/813085822.db2.gz RWBAPPOFLUXIFN-KBXCAEBGSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2cc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205805802 813086156 /nfs/dbraw/zinc/08/61/56/813086156.db2.gz RWBAPPOFLUXIFN-KSSFIOAISA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205805802 813086161 /nfs/dbraw/zinc/08/61/61/813086161.db2.gz RWBAPPOFLUXIFN-KSSFIOAISA-N 2 1 298.430 3.408 20 0 CGADMP CCn1ccc2c1cccc2CN1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205817457 813093877 /nfs/dbraw/zinc/09/38/77/813093877.db2.gz QNLRMDSSWIFWMC-ZBFHGGJFSA-N 2 1 285.435 3.220 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205817457 813093887 /nfs/dbraw/zinc/09/38/87/813093887.db2.gz QNLRMDSSWIFWMC-ZBFHGGJFSA-N 2 1 285.435 3.220 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205817457 813093896 /nfs/dbraw/zinc/09/38/96/813093896.db2.gz QNLRMDSSWIFWMC-ZBFHGGJFSA-N 2 1 285.435 3.220 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc3sccc32)C1 ZINC001205839724 813103900 /nfs/dbraw/zinc/10/39/00/813103900.db2.gz FYTAQRUQHNTYPQ-GXTWGEPZSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc3sccc32)C1 ZINC001205839724 813103905 /nfs/dbraw/zinc/10/39/05/813103905.db2.gz FYTAQRUQHNTYPQ-GXTWGEPZSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205841431 813104393 /nfs/dbraw/zinc/10/43/93/813104393.db2.gz JYUDQQXESYGIGF-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001205841431 813104395 /nfs/dbraw/zinc/10/43/95/813104395.db2.gz JYUDQQXESYGIGF-QAPCUYQASA-N 2 1 295.430 3.308 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c12 ZINC001205855885 813109882 /nfs/dbraw/zinc/10/98/82/813109882.db2.gz QGIVNLDBYYXBDK-CZUORRHYSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c12 ZINC001205855885 813109887 /nfs/dbraw/zinc/10/98/87/813109887.db2.gz QGIVNLDBYYXBDK-CZUORRHYSA-N 2 1 283.419 3.102 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205901069 813123354 /nfs/dbraw/zinc/12/33/54/813123354.db2.gz BASSNYFGLCIWER-WBVHZDCISA-N 2 1 290.451 3.425 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCC(C)(C)c1ccccc1 ZINC001205901003 813123409 /nfs/dbraw/zinc/12/34/09/813123409.db2.gz AJGSCLDMYZCNAH-JKSUJKDBSA-N 2 1 274.452 3.414 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205901067 813123500 /nfs/dbraw/zinc/12/35/00/813123500.db2.gz BASSNYFGLCIWER-NVXWUHKLSA-N 2 1 290.451 3.425 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205903439 813125293 /nfs/dbraw/zinc/12/52/93/813125293.db2.gz OYRWFENUIQZCQM-GXTWGEPZSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205903439 813125297 /nfs/dbraw/zinc/12/52/97/813125297.db2.gz OYRWFENUIQZCQM-GXTWGEPZSA-N 2 1 296.842 3.298 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205903599 813126269 /nfs/dbraw/zinc/12/62/69/813126269.db2.gz QGVYXUYZHGVCGX-DZGCQCFKSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)n1 ZINC001205915813 813130816 /nfs/dbraw/zinc/13/08/16/813130816.db2.gz QQSCRDQEHXKBAH-RDJZCZTQSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)CCC[C@@H]1C[NH3+] ZINC001205983189 813151951 /nfs/dbraw/zinc/15/19/51/813151951.db2.gz OGPIBHBGIMEPJW-UKRRQHHQSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2F)CCC[C@H]1C[NH3+] ZINC001205995809 813156447 /nfs/dbraw/zinc/15/64/47/813156447.db2.gz QPIXIJUKBQILNC-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CCC[C@@H]1C[NH3+] ZINC001205995726 813157433 /nfs/dbraw/zinc/15/74/33/813157433.db2.gz PRMWDVLQHQZLGT-TZMCWYRMSA-N 2 1 298.377 3.095 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ccncc32)CCC[C@@H]1C[NH3+] ZINC001206002778 813160865 /nfs/dbraw/zinc/16/08/65/813160865.db2.gz AUJQWILKJQABHD-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)CCC[C@H]1C[NH3+] ZINC001206012043 813165364 /nfs/dbraw/zinc/16/53/64/813165364.db2.gz IDTNVTVCTHKBON-HOCLYGCPSA-N 2 1 299.418 3.148 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)CCC[C@H]1C[NH3+] ZINC001206012062 813165531 /nfs/dbraw/zinc/16/55/31/813165531.db2.gz IPFFCLQVQKTFLX-MNOVXSKESA-N 2 1 272.845 3.208 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001206013138 813165611 /nfs/dbraw/zinc/16/56/11/813165611.db2.gz POUXUQMVMKVDBL-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3occc32)CCC[C@@H]1C[NH3+] ZINC001206025310 813169836 /nfs/dbraw/zinc/16/98/36/813169836.db2.gz NLQSZTHURYEALL-ZIAGYGMSSA-N 2 1 272.392 3.240 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206027924 813170697 /nfs/dbraw/zinc/17/06/97/813170697.db2.gz XFMRDJAEWKPYNY-HUUCEWRRSA-N 2 1 278.415 3.249 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)cccc2n1 ZINC001206036385 813176409 /nfs/dbraw/zinc/17/64/09/813176409.db2.gz JAMIFDMZIXXLPS-GDBMZVCRSA-N 2 1 297.446 3.350 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206053014 813183369 /nfs/dbraw/zinc/18/33/69/813183369.db2.gz DWHZUMLXEFGNSF-IIDMSEBBSA-N 2 1 274.452 3.268 20 0 CGADMP N[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153705 813215592 /nfs/dbraw/zinc/21/55/92/813215592.db2.gz FDLQTANCFOYSDC-DRPJVOAASA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153705 813215595 /nfs/dbraw/zinc/21/55/95/813215595.db2.gz FDLQTANCFOYSDC-DRPJVOAASA-N 2 1 296.817 3.205 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206153705 813215600 /nfs/dbraw/zinc/21/56/00/813215600.db2.gz FDLQTANCFOYSDC-DRPJVOAASA-N 2 1 296.817 3.205 20 0 CGADMP Cc1ccc(/C=C/c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001206161200 813219719 /nfs/dbraw/zinc/21/97/19/813219719.db2.gz ROZAFAAKSTVUTH-VOTSOKGWSA-N 2 1 289.382 3.500 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c(Cl)[nH]c3ccccc32)CC[C@H]1F ZINC001206163520 813221485 /nfs/dbraw/zinc/22/14/85/813221485.db2.gz DCHQAFIKSSWJPQ-CHWSQXEVSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC[C@H]1F ZINC001206163520 813221490 /nfs/dbraw/zinc/22/14/90/813221490.db2.gz DCHQAFIKSSWJPQ-CHWSQXEVSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC[C@@H]1F ZINC001206184969 813229875 /nfs/dbraw/zinc/22/98/75/813229875.db2.gz KEYDRYXQOQGESO-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC[C@@H]1F ZINC001206184969 813229880 /nfs/dbraw/zinc/22/98/80/813229880.db2.gz KEYDRYXQOQGESO-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206197998 813235869 /nfs/dbraw/zinc/23/58/69/813235869.db2.gz KSHZCIXTTFKAAQ-GJZGRUSLSA-N 2 1 284.806 3.164 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206197998 813235872 /nfs/dbraw/zinc/23/58/72/813235872.db2.gz KSHZCIXTTFKAAQ-GJZGRUSLSA-N 2 1 284.806 3.164 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206277542 813268403 /nfs/dbraw/zinc/26/84/03/813268403.db2.gz ULCSIJRVUDODCD-OAHLLOKOSA-N 2 1 260.425 3.071 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206277542 813268408 /nfs/dbraw/zinc/26/84/08/813268408.db2.gz ULCSIJRVUDODCD-OAHLLOKOSA-N 2 1 260.425 3.071 20 0 CGADMP COc1ccccc1CCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206297643 813276631 /nfs/dbraw/zinc/27/66/31/813276631.db2.gz ZCVZDUFDLOLBMJ-SFHVURJKSA-N 2 1 290.451 3.079 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC001206296961 813277068 /nfs/dbraw/zinc/27/70/68/813277068.db2.gz VSEIRSVZEPWINT-HNNXBMFYSA-N 2 1 266.816 3.291 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001206304780 813281897 /nfs/dbraw/zinc/28/18/97/813281897.db2.gz PQIYQEXPHMSPAM-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001206305120 813282024 /nfs/dbraw/zinc/28/20/24/813282024.db2.gz UBRXHEVMUDKPMJ-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304914 813282137 /nfs/dbraw/zinc/28/21/37/813282137.db2.gz RHFDGWMHDMIFQQ-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001206327288 813289970 /nfs/dbraw/zinc/28/99/70/813289970.db2.gz UWNBBKWGFHEBND-SFHVURJKSA-N 2 1 298.434 3.028 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001206327287 813290560 /nfs/dbraw/zinc/29/05/60/813290560.db2.gz UWNBBKWGFHEBND-GOSISDBHSA-N 2 1 298.434 3.028 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001206336093 813293676 /nfs/dbraw/zinc/29/36/76/813293676.db2.gz JZDRJTOYXBOGPS-HRCADAONSA-N 2 1 268.420 3.132 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001206336093 813293678 /nfs/dbraw/zinc/29/36/78/813293678.db2.gz JZDRJTOYXBOGPS-HRCADAONSA-N 2 1 268.420 3.132 20 0 CGADMP C[C@]1(F)CCCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC001206405168 813315080 /nfs/dbraw/zinc/31/50/80/813315080.db2.gz OXISPQKJSKSQHT-HNNXBMFYSA-N 2 1 282.428 3.108 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001206540730 813344316 /nfs/dbraw/zinc/34/43/16/813344316.db2.gz CTOKVGANIJYGDF-INIZCTEOSA-N 2 1 252.446 3.408 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001206550251 813347754 /nfs/dbraw/zinc/34/77/54/813347754.db2.gz YKXQQPUMAMCTSK-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1ccc(CCC[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)o1 ZINC001206579864 813361776 /nfs/dbraw/zinc/36/17/76/813361776.db2.gz AJBCPVOOPSFPAT-MRXNPFEDSA-N 2 1 278.440 3.373 20 0 CGADMP COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC001206583054 813364688 /nfs/dbraw/zinc/36/46/88/813364688.db2.gz SGLBDWJKQVJOIB-QGZVFWFLSA-N 2 1 290.451 3.356 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206622923 813377361 /nfs/dbraw/zinc/37/73/61/813377361.db2.gz JCHQDQNRUDEMQQ-HNNXBMFYSA-N 2 1 285.435 3.222 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001206632822 813380792 /nfs/dbraw/zinc/38/07/92/813380792.db2.gz OMNLXLXMZOULHQ-HNNXBMFYSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640428 813384383 /nfs/dbraw/zinc/38/43/83/813384383.db2.gz JQUUEOQHLRRTOK-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714203 813405151 /nfs/dbraw/zinc/40/51/51/813405151.db2.gz BJJRSNUDRGIVBE-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714203 813405153 /nfs/dbraw/zinc/40/51/53/813405153.db2.gz BJJRSNUDRGIVBE-CABCVRRESA-N 2 1 252.446 3.418 20 0 CGADMP CC1(C[NH3+])C[NH+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001206718182 813406505 /nfs/dbraw/zinc/40/65/05/813406505.db2.gz LEEXQIMGNKLWPN-UHFFFAOYSA-N 2 1 284.378 3.273 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1-n1cccc1 ZINC001206807255 813441861 /nfs/dbraw/zinc/44/18/61/813441861.db2.gz IAWUELCHCZLUKG-JKSUJKDBSA-N 2 1 283.419 3.037 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC/C=C/c1cccnc1 ZINC001207287413 813537075 /nfs/dbraw/zinc/53/70/75/813537075.db2.gz DJOBVBNLMKHHEV-RMKNXTFCSA-N 2 1 275.440 3.005 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001207399715 813556551 /nfs/dbraw/zinc/55/65/51/813556551.db2.gz RPTLZBJKXYFLOA-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP FC1(F)C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC001207442315 813565931 /nfs/dbraw/zinc/56/59/31/813565931.db2.gz YBMMRJUBVYRAJP-MRXNPFEDSA-N 2 1 294.389 3.111 20 0 CGADMP FC1(F)C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC001207442315 813565935 /nfs/dbraw/zinc/56/59/35/813565935.db2.gz YBMMRJUBVYRAJP-MRXNPFEDSA-N 2 1 294.389 3.111 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)CCC1CC[NH+](C)CC1 ZINC001207487766 813574114 /nfs/dbraw/zinc/57/41/14/813574114.db2.gz QYSAYJYPRGSKGQ-ZZXKWVIFSA-N 2 1 287.451 3.149 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207523687 813586726 /nfs/dbraw/zinc/58/67/26/813586726.db2.gz JZEUZQBCPNQMBQ-UHFFFAOYSA-N 2 1 283.419 3.107 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207523687 813586730 /nfs/dbraw/zinc/58/67/30/813586730.db2.gz JZEUZQBCPNQMBQ-UHFFFAOYSA-N 2 1 283.419 3.107 20 0 CGADMP C[C@@H](C[NH+]1CCC([N@@H+](C)C2CC2)CC1)c1ccccc1 ZINC001207911698 813670646 /nfs/dbraw/zinc/67/06/46/813670646.db2.gz IFKURUKQGZQWOD-HNNXBMFYSA-N 2 1 272.436 3.349 20 0 CGADMP CC/C=C\CCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001208135583 813701130 /nfs/dbraw/zinc/70/11/30/813701130.db2.gz IKNWTYKEYHZRQT-OOFWQKGWSA-N 2 1 294.483 3.308 20 0 CGADMP CC/C=C\CCC[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001208135583 813701133 /nfs/dbraw/zinc/70/11/33/813701133.db2.gz IKNWTYKEYHZRQT-OOFWQKGWSA-N 2 1 294.483 3.308 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCc2ccc(C)cc2)CC1 ZINC001208598583 813771103 /nfs/dbraw/zinc/77/11/03/813771103.db2.gz TZOHBRQTIVIHFT-UHFFFAOYSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001208597991 813771366 /nfs/dbraw/zinc/77/13/66/813771366.db2.gz PAXHUKOQBVCVJB-KRWDZBQOSA-N 2 1 290.426 3.347 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2C2CCCCC2)C1 ZINC001208617440 813776314 /nfs/dbraw/zinc/77/63/14/813776314.db2.gz PGCRPXMXYZAXBV-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2C2CCCCC2)C1 ZINC001208617440 813776321 /nfs/dbraw/zinc/77/63/21/813776321.db2.gz PGCRPXMXYZAXBV-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC001208617440 813776326 /nfs/dbraw/zinc/77/63/26/813776326.db2.gz PGCRPXMXYZAXBV-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC001208617440 813776330 /nfs/dbraw/zinc/77/63/30/813776330.db2.gz PGCRPXMXYZAXBV-WBVHZDCISA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCC1CC1 ZINC001208688082 813796958 /nfs/dbraw/zinc/79/69/58/813796958.db2.gz KBLNXFHAJWQRAL-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP Cc1cnccc1O[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001208697818 813802995 /nfs/dbraw/zinc/80/29/95/813802995.db2.gz AJNURPUWPSZAST-INIZCTEOSA-N 2 1 274.408 3.423 20 0 CGADMP C[NH+]1CCC(c2ccc(NC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC001208838823 813861887 /nfs/dbraw/zinc/86/18/87/813861887.db2.gz TUELEPXBWPUMBY-UHFFFAOYSA-N 2 1 285.435 3.127 20 0 CGADMP C[C@@]1(CF)CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940354 813903432 /nfs/dbraw/zinc/90/34/32/813903432.db2.gz BUVIOLMYCUWZJX-MSOLQXFVSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@@]1(CF)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940354 813903440 /nfs/dbraw/zinc/90/34/40/813903440.db2.gz BUVIOLMYCUWZJX-MSOLQXFVSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@@]1(CF)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940354 813903445 /nfs/dbraw/zinc/90/34/45/813903445.db2.gz BUVIOLMYCUWZJX-MSOLQXFVSA-N 2 1 290.426 3.190 20 0 CGADMP CSCC[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208944989 813905976 /nfs/dbraw/zinc/90/59/76/813905976.db2.gz QKFYVVGOOIRQBZ-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP CSCC[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208944989 813905981 /nfs/dbraw/zinc/90/59/81/813905981.db2.gz QKFYVVGOOIRQBZ-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP CSCC[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208944989 813905987 /nfs/dbraw/zinc/90/59/87/813905987.db2.gz QKFYVVGOOIRQBZ-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP COCCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209218382 813971511 /nfs/dbraw/zinc/97/15/11/813971511.db2.gz HNUKVSPJDQAVDA-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP CC/C=C\CCCCCC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001209288107 813994609 /nfs/dbraw/zinc/99/46/09/813994609.db2.gz CLBFGTDUNDORNK-WAYWQWQTSA-N 2 1 295.515 3.082 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+](C)Cc1c[nH+]ccc1N ZINC001209737565 814125926 /nfs/dbraw/zinc/12/59/26/814125926.db2.gz ORVHEARQSRBSBI-INIZCTEOSA-N 2 1 255.365 3.077 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209737565 814125931 /nfs/dbraw/zinc/12/59/31/814125931.db2.gz ORVHEARQSRBSBI-INIZCTEOSA-N 2 1 255.365 3.077 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001209846708 814164455 /nfs/dbraw/zinc/16/44/55/814164455.db2.gz VRLKFZFCMYHWRQ-LBPRGKRZSA-N 2 1 264.438 3.016 20 0 CGADMP CC(C)C[C@H](C)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218223474 816131335 /nfs/dbraw/zinc/13/13/35/816131335.db2.gz HZXOBOJBUCOIHD-HNNXBMFYSA-N 2 1 290.451 3.423 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2o1 ZINC001222148750 816359476 /nfs/dbraw/zinc/35/94/76/816359476.db2.gz SHSSDQIYFIYVIC-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP c1cc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2o1 ZINC001222148750 816359484 /nfs/dbraw/zinc/35/94/84/816359484.db2.gz SHSSDQIYFIYVIC-QGZVFWFLSA-N 2 1 270.376 3.008 20 0 CGADMP CC1(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCOCC1 ZINC001222154270 816361840 /nfs/dbraw/zinc/36/18/40/816361840.db2.gz JLCJZLHBUDKYNM-GOSISDBHSA-N 2 1 294.483 3.049 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222249261 816386155 /nfs/dbraw/zinc/38/61/55/816386155.db2.gz RMDJINXMPAECPX-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222249261 816386163 /nfs/dbraw/zinc/38/61/63/816386163.db2.gz RMDJINXMPAECPX-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP Fc1ccccc1CCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222258698 816388506 /nfs/dbraw/zinc/38/85/06/816388506.db2.gz FQELJKPHFWTADR-GOSISDBHSA-N 2 1 290.426 3.224 20 0 CGADMP C[C@@H](CC[N@@H+]1CCC[C@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001222283386 816394389 /nfs/dbraw/zinc/39/43/89/816394389.db2.gz XMUXHBCYNITPMB-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001222283386 816394399 /nfs/dbraw/zinc/39/43/99/816394399.db2.gz XMUXHBCYNITPMB-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1cc(F)cc(CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222309798 816404786 /nfs/dbraw/zinc/40/47/86/816404786.db2.gz SKTUFXIUWWCYHM-QGZVFWFLSA-N 2 1 294.389 3.115 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222310866 816405039 /nfs/dbraw/zinc/40/50/39/816405039.db2.gz WXDRASRRBREVON-SFHVURJKSA-N 2 1 288.435 3.193 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@]13CCC[NH2+]CC3)CCCN2 ZINC001222314267 816405880 /nfs/dbraw/zinc/40/58/80/816405880.db2.gz DXHHTETZYRCGPH-LJQANCHMSA-N 2 1 299.462 3.153 20 0 CGADMP Oc1cc(Cl)cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316768 816407426 /nfs/dbraw/zinc/40/74/26/816407426.db2.gz YGWWYVPFZHCHGN-INIZCTEOSA-N 2 1 294.826 3.154 20 0 CGADMP Oc1cc(Cl)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316768 816407430 /nfs/dbraw/zinc/40/74/30/816407430.db2.gz YGWWYVPFZHCHGN-INIZCTEOSA-N 2 1 294.826 3.154 20 0 CGADMP CC(C)(CC[NH+]1CC2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001222335475 816410489 /nfs/dbraw/zinc/41/04/89/816410489.db2.gz PXGGIUMUVNAIGH-UHFFFAOYSA-N 2 1 272.436 3.040 20 0 CGADMP Cc1ccc2ccccc2c1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335280 816411023 /nfs/dbraw/zinc/41/10/23/816411023.db2.gz CYGYOKLYWUJVLM-UHFFFAOYSA-N 2 1 280.415 3.334 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1)c1ccccc1 ZINC001222385754 816427608 /nfs/dbraw/zinc/42/76/08/816427608.db2.gz VXPPFVXNMLOKNF-SJLPKXTDSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1)c1ccccc1 ZINC001222385754 816427614 /nfs/dbraw/zinc/42/76/14/816427614.db2.gz VXPPFVXNMLOKNF-SJLPKXTDSA-N 2 1 272.436 3.398 20 0 CGADMP [NH3+]CC1(F)CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001222531960 816462883 /nfs/dbraw/zinc/46/28/83/816462883.db2.gz HCFTZOSLXQJNPZ-UHFFFAOYSA-N 2 1 291.197 3.256 20 0 CGADMP CC(C)c1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c(Cl)n1 ZINC001222553035 816466931 /nfs/dbraw/zinc/46/69/31/816466931.db2.gz OXSVQBNJQPSMNC-UHFFFAOYSA-N 2 1 299.821 3.121 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c(C)c1C ZINC001222620784 816481341 /nfs/dbraw/zinc/48/13/41/816481341.db2.gz ZSDPEFZCTVRMKA-PKOBYXMFSA-N 2 1 286.463 3.413 20 0 CGADMP COc1c(C)cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1C ZINC001226785336 817462644 /nfs/dbraw/zinc/46/26/44/817462644.db2.gz QGKQWNVSTQTVRU-UHFFFAOYSA-N 2 1 288.435 3.030 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001232011198 818232081 /nfs/dbraw/zinc/23/20/81/818232081.db2.gz JANJPHWUNHMNQH-BETUJISGSA-N 2 1 255.365 3.185 20 0 CGADMP COc1ccc2c(c1)C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232011912 818232892 /nfs/dbraw/zinc/23/28/92/818232892.db2.gz PGVICNOHKNLEGT-UHFFFAOYSA-N 2 1 293.370 3.130 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232613804 818398529 /nfs/dbraw/zinc/39/85/29/818398529.db2.gz GVIYMLTZTMDMAO-IYBDPMFKSA-N 2 1 286.444 3.285 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232613804 818398535 /nfs/dbraw/zinc/39/85/35/818398535.db2.gz GVIYMLTZTMDMAO-IYBDPMFKSA-N 2 1 286.444 3.285 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232613804 818398542 /nfs/dbraw/zinc/39/85/42/818398542.db2.gz GVIYMLTZTMDMAO-IYBDPMFKSA-N 2 1 286.444 3.285 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232613804 818398547 /nfs/dbraw/zinc/39/85/47/818398547.db2.gz GVIYMLTZTMDMAO-IYBDPMFKSA-N 2 1 286.444 3.285 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(O)cc12 ZINC001232869221 818459539 /nfs/dbraw/zinc/45/95/39/818459539.db2.gz PDVOODCMQQPMBA-UHFFFAOYSA-N 2 1 289.423 3.037 20 0 CGADMP CC[NH+](CC)Cc1ccccc1-c1ccc(N)[nH+]c1C ZINC001243334980 823350357 /nfs/dbraw/zinc/35/03/57/823350357.db2.gz AZQYJCZXEOLCHD-UHFFFAOYSA-N 2 1 269.392 3.481 20 0 CGADMP C[NH+](C)CC[C@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001233748096 818696591 /nfs/dbraw/zinc/69/65/91/818696591.db2.gz FKXAALVCJLUQBB-KRWDZBQOSA-N 2 1 295.386 3.406 20 0 CGADMP CC1(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCCCC1 ZINC001234995794 818973215 /nfs/dbraw/zinc/97/32/15/818973215.db2.gz ZSFXXPPVNJKMAA-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235005731 818976464 /nfs/dbraw/zinc/97/64/64/818976464.db2.gz YFXIZOCASAIDQC-PMPSAXMXSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235005731 818976469 /nfs/dbraw/zinc/97/64/69/818976469.db2.gz YFXIZOCASAIDQC-PMPSAXMXSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031043 818982634 /nfs/dbraw/zinc/98/26/34/818982634.db2.gz LMEPILWUAOIARR-HOTGVXAUSA-N 2 1 250.430 3.054 20 0 CGADMP CCCCOc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235031358 818984942 /nfs/dbraw/zinc/98/49/42/818984942.db2.gz FTARMEHIHSALCE-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235031358 818984947 /nfs/dbraw/zinc/98/49/47/818984947.db2.gz FTARMEHIHSALCE-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001235063446 818993372 /nfs/dbraw/zinc/99/33/72/818993372.db2.gz FHKYSYXSFLBWPP-HNAYVOBHSA-N 2 1 280.415 3.381 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001235063446 818993375 /nfs/dbraw/zinc/99/33/75/818993375.db2.gz FHKYSYXSFLBWPP-HNAYVOBHSA-N 2 1 280.415 3.381 20 0 CGADMP c1ccc(C2(C[N@@H+]3CCC[C@]34CC[NH2+]C4)CCCC2)cc1 ZINC001235110045 819005427 /nfs/dbraw/zinc/00/54/27/819005427.db2.gz HVEQDQMMAGGIKE-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@]34CC[NH2+]C4)CCCC2)cc1 ZINC001235110045 819005429 /nfs/dbraw/zinc/00/54/29/819005429.db2.gz HVEQDQMMAGGIKE-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125263 819011824 /nfs/dbraw/zinc/01/18/24/819011824.db2.gz OKAHPJSQDVLGTI-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125263 819011830 /nfs/dbraw/zinc/01/18/30/819011830.db2.gz OKAHPJSQDVLGTI-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235147345 819017105 /nfs/dbraw/zinc/01/71/05/819017105.db2.gz RVFXKEQLCPJMIZ-SQNIBIBYSA-N 2 1 274.452 3.492 20 0 CGADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235147345 819017113 /nfs/dbraw/zinc/01/71/13/819017113.db2.gz RVFXKEQLCPJMIZ-SQNIBIBYSA-N 2 1 274.452 3.492 20 0 CGADMP C(C1CCCC1)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155492 819018540 /nfs/dbraw/zinc/01/85/40/819018540.db2.gz YKGMMZFWBQJWPG-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP CC/C=C\CCCCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235164980 819019210 /nfs/dbraw/zinc/01/92/10/819019210.db2.gz FMPLFWALCATUHK-MYIWKSEUSA-N 2 1 250.430 3.326 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235164980 819019216 /nfs/dbraw/zinc/01/92/16/819019216.db2.gz FMPLFWALCATUHK-MYIWKSEUSA-N 2 1 250.430 3.326 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235167424 819020461 /nfs/dbraw/zinc/02/04/61/819020461.db2.gz IUJNNWXZKWDRIH-GOSISDBHSA-N 2 1 288.435 3.117 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235167424 819020469 /nfs/dbraw/zinc/02/04/69/819020469.db2.gz IUJNNWXZKWDRIH-GOSISDBHSA-N 2 1 288.435 3.117 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(C)c1C ZINC001235171445 819022257 /nfs/dbraw/zinc/02/22/57/819022257.db2.gz NAMRQZKNJDHWGN-FUHWJXTLSA-N 2 1 272.436 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(C)c1C ZINC001235171445 819022263 /nfs/dbraw/zinc/02/22/63/819022263.db2.gz NAMRQZKNJDHWGN-FUHWJXTLSA-N 2 1 272.436 3.152 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235185428 819028308 /nfs/dbraw/zinc/02/83/08/819028308.db2.gz UHTLXWBOEKRVDS-CVEARBPZSA-N 2 1 272.436 3.025 20 0 CGADMP COc1ccc(C)c(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191575 819031251 /nfs/dbraw/zinc/03/12/51/819031251.db2.gz RTQYXRVBQAQMPW-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3cccc4c5ccccc5sc43)C[C@H]21 ZINC001235210005 819036705 /nfs/dbraw/zinc/03/67/05/819036705.db2.gz IGMDXVXUZMEJFB-QLPKVWCKSA-N 2 1 294.423 3.443 20 0 CGADMP c1ccc(CCCCC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209039 819037365 /nfs/dbraw/zinc/03/73/65/819037365.db2.gz HWMUZXFWPCZZHP-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(CCCCC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209039 819037369 /nfs/dbraw/zinc/03/73/69/819037369.db2.gz HWMUZXFWPCZZHP-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CCCC2)cc1 ZINC001235256284 819050903 /nfs/dbraw/zinc/05/09/03/819050903.db2.gz RJSLHWFGDFOIOR-AEFFLSMTSA-N 2 1 284.447 3.182 20 0 CGADMP Fc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235262447 819055776 /nfs/dbraw/zinc/05/57/76/819055776.db2.gz REDQSTXPPCMNJW-IEBWSBKVSA-N 2 1 296.389 3.286 20 0 CGADMP Fc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235262447 819055783 /nfs/dbraw/zinc/05/57/83/819055783.db2.gz REDQSTXPPCMNJW-IEBWSBKVSA-N 2 1 296.389 3.286 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC001235263817 819056969 /nfs/dbraw/zinc/05/69/69/819056969.db2.gz VHUCQNXZYRTASZ-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC001235263817 819056975 /nfs/dbraw/zinc/05/69/75/819056975.db2.gz VHUCQNXZYRTASZ-VQTJNVASSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cccc1-c1ccccc1 ZINC001235264136 819058098 /nfs/dbraw/zinc/05/80/98/819058098.db2.gz WGEWXUFGIDVETH-AZUAARDMSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cccc1-c1ccccc1 ZINC001235264136 819058107 /nfs/dbraw/zinc/05/81/07/819058107.db2.gz WGEWXUFGIDVETH-AZUAARDMSA-N 2 1 292.426 3.456 20 0 CGADMP Fc1cccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cccc12 ZINC001235271750 819059518 /nfs/dbraw/zinc/05/95/18/819059518.db2.gz OUJOQFZDIBKTQI-KDOFPFPSSA-N 2 1 284.378 3.163 20 0 CGADMP Fc1cccc2c(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cccc12 ZINC001235271750 819059525 /nfs/dbraw/zinc/05/95/25/819059525.db2.gz OUJOQFZDIBKTQI-KDOFPFPSSA-N 2 1 284.378 3.163 20 0 CGADMP CCCCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC001235276544 819061278 /nfs/dbraw/zinc/06/12/78/819061278.db2.gz ZHTCMHRXLRDYIB-CZUORRHYSA-N 2 1 278.465 3.275 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC001235276544 819061283 /nfs/dbraw/zinc/06/12/83/819061283.db2.gz ZHTCMHRXLRDYIB-CZUORRHYSA-N 2 1 278.465 3.275 20 0 CGADMP CC/C=C\CC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378731 819081704 /nfs/dbraw/zinc/08/17/04/819081704.db2.gz JBQBUPVHMANXQF-QVOQXLMASA-N 2 1 284.447 3.422 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406473 819087536 /nfs/dbraw/zinc/08/75/36/819087536.db2.gz PUWIRBAGKNJQDL-MOPGFXCFSA-N 2 1 298.405 3.315 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235420686 819091869 /nfs/dbraw/zinc/09/18/69/819091869.db2.gz AGFKPHUEHBHBQI-JKSUJKDBSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235425191 819093404 /nfs/dbraw/zinc/09/34/04/819093404.db2.gz ILWQXZUVIPGEQG-SJORKVTESA-N 2 1 290.426 3.346 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)CC2)cc1 ZINC001235427886 819094515 /nfs/dbraw/zinc/09/45/15/819094515.db2.gz UFNPQXGKPAFXLJ-MSOLQXFVSA-N 2 1 298.474 3.430 20 0 CGADMP C[N@H+](Cc1cccc2c(F)cccc12)CC1CC[NH2+]CC1 ZINC001235432107 819095905 /nfs/dbraw/zinc/09/59/05/819095905.db2.gz IKUQNTYAOLVDBR-UHFFFAOYSA-N 2 1 286.394 3.410 20 0 CGADMP C[C@H](CC[N@@H+](C)CC1CC[NH2+]CC1)CC(C)(C)C ZINC001235433578 819096108 /nfs/dbraw/zinc/09/61/08/819096108.db2.gz BAQWLLGRCLAYQQ-CQSZACIVSA-N 2 1 254.462 3.380 20 0 CGADMP C[N@H+](Cc1cc2ccc(Cl)cc2[nH]1)CC1CC[NH2+]CC1 ZINC001235433778 819096148 /nfs/dbraw/zinc/09/61/48/819096148.db2.gz PYKPJKOSXWOPMT-UHFFFAOYSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC001235433593 819096170 /nfs/dbraw/zinc/09/61/70/819096170.db2.gz HDPCMMBKWYDKMR-DOTOQJQBSA-N 2 1 292.854 3.375 20 0 CGADMP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)CC1CC[NH2+]CC1 ZINC001235432973 819096296 /nfs/dbraw/zinc/09/62/96/819096296.db2.gz BZJVKTKNOBQORF-UHFFFAOYSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235435140 819098029 /nfs/dbraw/zinc/09/80/29/819098029.db2.gz BETGWDZPWYWFDP-UHFFFAOYSA-N 2 1 272.367 3.273 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001235435265 819098141 /nfs/dbraw/zinc/09/81/41/819098141.db2.gz FXYGCFDGJMEPIK-UHFFFAOYSA-N 2 1 280.721 3.139 20 0 CGADMP CC(C)c1cc(C[N@@H+](C)CCC[NH3+])ccc1Cl ZINC001235435530 819098381 /nfs/dbraw/zinc/09/83/81/819098381.db2.gz NKRKDZOQCKOUDF-UHFFFAOYSA-N 2 1 254.805 3.244 20 0 CGADMP C[N@@H+](CCCCC[NH3+])Cc1cccc2ccccc21 ZINC001235663718 819131435 /nfs/dbraw/zinc/13/14/35/819131435.db2.gz SLYNVVXTDPEILP-UHFFFAOYSA-N 2 1 256.393 3.401 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001235673997 819135081 /nfs/dbraw/zinc/13/50/81/819135081.db2.gz KIFOMMOWNXETQW-VNQPRFMTSA-N 2 1 294.389 3.314 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001235673997 819135082 /nfs/dbraw/zinc/13/50/82/819135082.db2.gz KIFOMMOWNXETQW-VNQPRFMTSA-N 2 1 294.389 3.314 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001235674553 819135750 /nfs/dbraw/zinc/13/57/50/819135750.db2.gz UIWDPCSEOLCCCC-NSHDSACASA-N 2 1 287.234 3.207 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001235674553 819135754 /nfs/dbraw/zinc/13/57/54/819135754.db2.gz UIWDPCSEOLCCCC-NSHDSACASA-N 2 1 287.234 3.207 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)cc1 ZINC001235678057 819138446 /nfs/dbraw/zinc/13/84/46/819138446.db2.gz KRVJGNUFKKWUIE-IBGZPJMESA-N 2 1 295.430 3.237 20 0 CGADMP c1ccc(O[C@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235689834 819142104 /nfs/dbraw/zinc/14/21/04/819142104.db2.gz DFZUGVGCYJLYKY-AEFFLSMTSA-N 2 1 288.435 3.062 20 0 CGADMP CCC[C@@H]1CCCC[N@@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235693818 819143743 /nfs/dbraw/zinc/14/37/43/819143743.db2.gz HNOGTWXCBREQLU-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235693818 819143748 /nfs/dbraw/zinc/14/37/48/819143748.db2.gz HNOGTWXCBREQLU-MCIONIFRSA-N 2 1 274.399 3.132 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711243 819148591 /nfs/dbraw/zinc/14/85/91/819148591.db2.gz OJBKRYQHRDADAS-UHFFFAOYSA-N 2 1 296.414 3.034 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711243 819148596 /nfs/dbraw/zinc/14/85/96/819148596.db2.gz OJBKRYQHRDADAS-UHFFFAOYSA-N 2 1 296.414 3.034 20 0 CGADMP Fc1ccccc1[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001235718171 819151435 /nfs/dbraw/zinc/15/14/35/819151435.db2.gz FPUZOQJMNCOSOX-QGZVFWFLSA-N 2 1 276.399 3.352 20 0 CGADMP Fc1ccccc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235719099 819151951 /nfs/dbraw/zinc/15/19/51/819151951.db2.gz RYIPOMCRLPBQKN-YOEHRIQHSA-N 2 1 276.399 3.495 20 0 CGADMP Fc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235719099 819151957 /nfs/dbraw/zinc/15/19/57/819151957.db2.gz RYIPOMCRLPBQKN-YOEHRIQHSA-N 2 1 276.399 3.495 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235726426 819155557 /nfs/dbraw/zinc/15/55/57/819155557.db2.gz YLXMOAYTVJRSBD-SFHVURJKSA-N 2 1 284.378 3.416 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235726426 819155560 /nfs/dbraw/zinc/15/55/60/819155560.db2.gz YLXMOAYTVJRSBD-SFHVURJKSA-N 2 1 284.378 3.416 20 0 CGADMP CC[N@@H+](Cc1cccc2sccc21)C1CC[NH2+]CC1 ZINC001235764426 819163330 /nfs/dbraw/zinc/16/33/30/819163330.db2.gz CCEBWLDAEJUIJY-UHFFFAOYSA-N 2 1 274.433 3.475 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001235925032 819223806 /nfs/dbraw/zinc/22/38/06/819223806.db2.gz GVZKAJZRWYSEQO-NSHDSACASA-N 2 1 290.304 3.158 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC001235925032 819223811 /nfs/dbraw/zinc/22/38/11/819223811.db2.gz GVZKAJZRWYSEQO-NSHDSACASA-N 2 1 290.304 3.158 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001235950144 819240055 /nfs/dbraw/zinc/24/00/55/819240055.db2.gz RKHBTMCKQKELOY-WMZOPIPTSA-N 2 1 288.435 3.364 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC001235951836 819241146 /nfs/dbraw/zinc/24/11/46/819241146.db2.gz UJKOBZOOWDXQGL-CQSZACIVSA-N 2 1 297.240 3.325 20 0 CGADMP C[N@H+](Cc1cc2ccccc2s1)C[C@@H]1CCC[NH2+]C1 ZINC001235951956 819241229 /nfs/dbraw/zinc/24/12/29/819241229.db2.gz WJYAEOIYQIJNCS-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)C[C@H]1CCC[NH2+]C1 ZINC001235957866 819245055 /nfs/dbraw/zinc/24/50/55/819245055.db2.gz VJDRKVJZEFGYBT-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CCCCC1)C[C@H]1CC1(C)C ZINC001235959106 819247927 /nfs/dbraw/zinc/24/79/27/819247927.db2.gz SUVHAHDTARHPMM-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+](Cc1cc2c(s1)C[NH2+]CC2)CC1CCCCC1 ZINC001235959791 819247999 /nfs/dbraw/zinc/24/79/99/819247999.db2.gz CKBKQLDVRDDCSA-UHFFFAOYSA-N 2 1 278.465 3.406 20 0 CGADMP c1ccc(C2=CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235962016 819249491 /nfs/dbraw/zinc/24/94/91/819249491.db2.gz HDOLDZDHYNWCLU-INIZCTEOSA-N 2 1 270.420 3.165 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC001235960804 819250299 /nfs/dbraw/zinc/25/02/99/819250299.db2.gz ORBXTEYEMOHRFM-AWEZNQCLSA-N 2 1 264.388 3.037 20 0 CGADMP CCC(CC)[N@@H+](CC)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235961460 819250347 /nfs/dbraw/zinc/25/03/47/819250347.db2.gz BBFKSVQAIMHSDB-UHFFFAOYSA-N 2 1 289.467 3.107 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235982811 819258193 /nfs/dbraw/zinc/25/81/93/819258193.db2.gz WYYIMIQDKOIHTC-YJYMSZOUSA-N 2 1 297.446 3.389 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235982811 819258197 /nfs/dbraw/zinc/25/81/97/819258197.db2.gz WYYIMIQDKOIHTC-YJYMSZOUSA-N 2 1 297.446 3.389 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235982810 819258602 /nfs/dbraw/zinc/25/86/02/819258602.db2.gz WYYIMIQDKOIHTC-ORAYPTAESA-N 2 1 297.446 3.389 20 0 CGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235982810 819258608 /nfs/dbraw/zinc/25/86/08/819258608.db2.gz WYYIMIQDKOIHTC-ORAYPTAESA-N 2 1 297.446 3.389 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235981560 819258858 /nfs/dbraw/zinc/25/88/58/819258858.db2.gz WTPDZPQUKULVBJ-WFASDCNBSA-N 2 1 299.245 3.349 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235981560 819258864 /nfs/dbraw/zinc/25/88/64/819258864.db2.gz WTPDZPQUKULVBJ-WFASDCNBSA-N 2 1 299.245 3.349 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236072287 819301137 /nfs/dbraw/zinc/30/11/37/819301137.db2.gz QZJLUEOQSWOHTA-OAHLLOKOSA-N 2 1 292.426 3.279 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCC[NH3+])c(Cl)c1Cl ZINC001236141903 819341980 /nfs/dbraw/zinc/34/19/80/819341980.db2.gz OHABTIBOJLPWPG-UHFFFAOYSA-N 2 1 275.223 3.473 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC001236125307 819332768 /nfs/dbraw/zinc/33/27/68/819332768.db2.gz VXWZUPDLGUSQHW-GUYCJALGSA-N 2 1 294.389 3.491 20 0 CGADMP C[N@H+](Cc1cccc2ccoc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236205578 819367564 /nfs/dbraw/zinc/36/75/64/819367564.db2.gz HSLVAVZTQSKXCR-INIZCTEOSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@@H+](Cc1cccc2ccoc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236205578 819367566 /nfs/dbraw/zinc/36/75/66/819367566.db2.gz HSLVAVZTQSKXCR-INIZCTEOSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@H+](Cc1ccccc1-c1ccncc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207047 819368977 /nfs/dbraw/zinc/36/89/77/819368977.db2.gz NNRVXIQRIBDFAJ-IBGZPJMESA-N 2 1 295.430 3.323 20 0 CGADMP C[N@@H+](Cc1ccccc1-c1ccncc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207047 819368981 /nfs/dbraw/zinc/36/89/81/819368981.db2.gz NNRVXIQRIBDFAJ-IBGZPJMESA-N 2 1 295.430 3.323 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236210331 819371694 /nfs/dbraw/zinc/37/16/94/819371694.db2.gz BNLABUBATIUOBB-NVXWUHKLSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236210331 819371702 /nfs/dbraw/zinc/37/17/02/819371702.db2.gz BNLABUBATIUOBB-NVXWUHKLSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215393 819378818 /nfs/dbraw/zinc/37/88/18/819378818.db2.gz HRGCSCJFOYHKPM-QZTJIDSGSA-N 2 1 290.451 3.484 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215393 819378821 /nfs/dbraw/zinc/37/88/21/819378821.db2.gz HRGCSCJFOYHKPM-QZTJIDSGSA-N 2 1 290.451 3.484 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236216167 819380830 /nfs/dbraw/zinc/38/08/30/819380830.db2.gz ILENKUQRBRCKAF-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236216167 819380837 /nfs/dbraw/zinc/38/08/37/819380837.db2.gz ILENKUQRBRCKAF-GJZGRUSLSA-N 2 1 266.816 3.350 20 0 CGADMP C[N@H+](Cc1cccc2occc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217229 819382705 /nfs/dbraw/zinc/38/27/05/819382705.db2.gz OFZCKXWBYQGXOG-LSDHHAIUSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1cccc2occc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217229 819382712 /nfs/dbraw/zinc/38/27/12/819382712.db2.gz OFZCKXWBYQGXOG-LSDHHAIUSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218074 819383732 /nfs/dbraw/zinc/38/37/32/819383732.db2.gz RIRXAVFFSWVGFX-HUUCEWRRSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218074 819383737 /nfs/dbraw/zinc/38/37/37/819383737.db2.gz RIRXAVFFSWVGFX-HUUCEWRRSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@H+](Cc1cccc2c1CCCC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218789 819384057 /nfs/dbraw/zinc/38/40/57/819384057.db2.gz UCKVUILERKUHPO-MSOLQXFVSA-N 2 1 272.436 3.267 20 0 CGADMP C[N@@H+](Cc1cccc2c1CCCC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218789 819384060 /nfs/dbraw/zinc/38/40/60/819384060.db2.gz UCKVUILERKUHPO-MSOLQXFVSA-N 2 1 272.436 3.267 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1(C)CC[NH2+]CC1 ZINC001236228097 819390632 /nfs/dbraw/zinc/39/06/32/819390632.db2.gz PQDKIFZNVSHWPG-UHFFFAOYSA-N 2 1 276.399 3.277 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227091 819390756 /nfs/dbraw/zinc/39/07/56/819390756.db2.gz ZNOTYJRTWNKIMX-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP COc1cc2ccccc2cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227091 819390760 /nfs/dbraw/zinc/39/07/60/819390760.db2.gz ZNOTYJRTWNKIMX-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236226074 819391120 /nfs/dbraw/zinc/39/11/20/819391120.db2.gz HCEYFBHUSABQAB-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP Cc1ccc([C@@H]2CCCC[N@H+]2CC2C[NH2+]C2)cc1C ZINC001236245702 819402937 /nfs/dbraw/zinc/40/29/37/819402937.db2.gz UWNIXYDBHAZUSU-KRWDZBQOSA-N 2 1 258.409 3.050 20 0 CGADMP CCn1ccc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc21 ZINC001236316281 819422431 /nfs/dbraw/zinc/42/24/31/819422431.db2.gz QROVGSOWNVTXMI-HDICACEKSA-N 2 1 297.446 3.093 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236319518 819423315 /nfs/dbraw/zinc/42/33/15/819423315.db2.gz BCNJKWWGOPYRLV-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP CC[N@H+](Cc1cccc2c(F)cccc12)C[C@@H]1CC[NH2+]C1 ZINC001236410193 819457569 /nfs/dbraw/zinc/45/75/69/819457569.db2.gz FZQUSBLWRGEPFJ-CQSZACIVSA-N 2 1 286.394 3.410 20 0 CGADMP C[N@H+](Cc1cc(-c2ccsc2)cs1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409993 819457774 /nfs/dbraw/zinc/45/77/74/819457774.db2.gz BJMPWIMQLUUDSK-FICVDOATSA-N 2 1 290.457 3.126 20 0 CGADMP C[N@@H+](Cc1cc(-c2ccsc2)cs1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409993 819457779 /nfs/dbraw/zinc/45/77/79/819457779.db2.gz BJMPWIMQLUUDSK-FICVDOATSA-N 2 1 290.457 3.126 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)c(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236412524 819458721 /nfs/dbraw/zinc/45/87/21/819458721.db2.gz WHWSZMMNEUVWND-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236415665 819461460 /nfs/dbraw/zinc/46/14/60/819461460.db2.gz PHJSTDUNOGOZBV-SHPPOPEUSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236415665 819461465 /nfs/dbraw/zinc/46/14/65/819461465.db2.gz PHJSTDUNOGOZBV-SHPPOPEUSA-N 2 1 278.827 3.255 20 0 CGADMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC001236422299 819468829 /nfs/dbraw/zinc/46/88/29/819468829.db2.gz FOBVBQJUYINFMW-QGZVFWFLSA-N 2 1 290.451 3.489 20 0 CGADMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)o1 ZINC001236457000 819485240 /nfs/dbraw/zinc/48/52/40/819485240.db2.gz IPTCUCHCBXPMSD-UHFFFAOYSA-N 2 1 264.413 3.188 20 0 CGADMP Cc1ccc(C[N@H+](CC2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236492545 819501638 /nfs/dbraw/zinc/50/16/38/819501638.db2.gz KWAUPDFYWNBXCK-UHFFFAOYSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(C[N@@H+](CC2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236492545 819501640 /nfs/dbraw/zinc/50/16/40/819501640.db2.gz KWAUPDFYWNBXCK-UHFFFAOYSA-N 2 1 276.399 3.098 20 0 CGADMP CC(C)C[N@@H+](CCOc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550029 819534300 /nfs/dbraw/zinc/53/43/00/819534300.db2.gz FTENAXRYKRLRTN-QAQDUYKDSA-N 2 1 290.451 3.293 20 0 CGADMP C(CC1CCCC1)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584544 819545599 /nfs/dbraw/zinc/54/55/99/819545599.db2.gz LLUMGDPBXUTTRM-INIZCTEOSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c21 ZINC001236597231 819547587 /nfs/dbraw/zinc/54/75/87/819547587.db2.gz ABPHBJZSXHOQTA-HNNXBMFYSA-N 2 1 297.446 3.440 20 0 CGADMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc(C)c1F ZINC001236597878 819548921 /nfs/dbraw/zinc/54/89/21/819548921.db2.gz GPTFUFZNNSSUCJ-OAHLLOKOSA-N 2 1 290.426 3.407 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)c1C ZINC001236603654 819549918 /nfs/dbraw/zinc/54/99/18/819549918.db2.gz BNMZHECBQMZSOW-SFHVURJKSA-N 2 1 274.452 3.399 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236680739 819569774 /nfs/dbraw/zinc/56/97/74/819569774.db2.gz BYCMMMBAADAIDB-GASCZTMLSA-N 2 1 286.444 3.285 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236680739 819569778 /nfs/dbraw/zinc/56/97/78/819569778.db2.gz BYCMMMBAADAIDB-GASCZTMLSA-N 2 1 286.444 3.285 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236680739 819569784 /nfs/dbraw/zinc/56/97/84/819569784.db2.gz BYCMMMBAADAIDB-GASCZTMLSA-N 2 1 286.444 3.285 20 0 CGADMP COCCC[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754071 819590334 /nfs/dbraw/zinc/59/03/34/819590334.db2.gz BONGIAZXTUWLMJ-QAQDUYKDSA-N 2 1 282.472 3.175 20 0 CGADMP CCC(CC)[N@@H+](Cc1c(C)n[nH]c1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782993 819592861 /nfs/dbraw/zinc/59/28/61/819592861.db2.gz WIUMIVFBASQWNZ-KOMQPUFPSA-N 2 1 292.471 3.287 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236818903 819606758 /nfs/dbraw/zinc/60/67/58/819606758.db2.gz KTXUODXKNKEIOQ-AEGPPILISA-N 2 1 286.444 3.379 20 0 CGADMP CCC[N@@H+](CCC1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC001236826881 819609968 /nfs/dbraw/zinc/60/99/68/819609968.db2.gz CWUUKVOSKZDDFZ-MRXNPFEDSA-N 2 1 252.446 3.278 20 0 CGADMP CCC[N@@H+](CCc1ccc(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236827341 819610728 /nfs/dbraw/zinc/61/07/28/819610728.db2.gz FXZWUKGGUHSYDY-CYBMUJFWSA-N 2 1 298.833 3.343 20 0 CGADMP CCC[N@@H+](Cc1sccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236834228 819613102 /nfs/dbraw/zinc/61/31/02/819613102.db2.gz FPRBBVOBMUCRAG-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+](Cc1sccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236834228 819613107 /nfs/dbraw/zinc/61/31/07/819613107.db2.gz FPRBBVOBMUCRAG-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+]C1 ZINC001236833912 819613842 /nfs/dbraw/zinc/61/38/42/819613842.db2.gz DIMZUELARALOPN-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP CCCOc1ccc(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236836268 819615044 /nfs/dbraw/zinc/61/50/44/819615044.db2.gz UMELIQMNSSBLNG-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CCC[N@H+](Cc1ccc2occc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236835649 819615461 /nfs/dbraw/zinc/61/54/61/819615461.db2.gz OIPSFLUICKEXKY-OAHLLOKOSA-N 2 1 272.392 3.254 20 0 CGADMP CCC[N@H+](Cc1[nH]c2ccccc2c1C)C[C@H]1CC[NH2+]C1 ZINC001236836451 819617174 /nfs/dbraw/zinc/61/71/74/819617174.db2.gz VJBPMXJCRUYKOS-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP CCC(CC)[N@@H+](C[C@H]1CNCCO1)[C@H](C)c1ccccc1 ZINC001236858962 819624969 /nfs/dbraw/zinc/62/49/69/819624969.db2.gz FXPJFEALGRVURR-CRAIPNDOSA-N 2 1 290.451 3.227 20 0 CGADMP Cc1cccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1Cl ZINC001236859542 819625234 /nfs/dbraw/zinc/62/52/34/819625234.db2.gz VKEBKVHZMYEBII-INIZCTEOSA-N 2 1 278.827 3.176 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC001237058020 819657066 /nfs/dbraw/zinc/65/70/66/819657066.db2.gz OYGUBQNZOUSGOE-OAHLLOKOSA-N 2 1 284.806 3.082 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC001237058020 819657068 /nfs/dbraw/zinc/65/70/68/819657068.db2.gz OYGUBQNZOUSGOE-OAHLLOKOSA-N 2 1 284.806 3.082 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237080683 819661786 /nfs/dbraw/zinc/66/17/86/819661786.db2.gz HWZAQZWEFMPNCR-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237080683 819661790 /nfs/dbraw/zinc/66/17/90/819661790.db2.gz HWZAQZWEFMPNCR-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CCCC2 ZINC001237082926 819663877 /nfs/dbraw/zinc/66/38/77/819663877.db2.gz YZALKVZXVWGREM-DODVFSASSA-N 2 1 284.447 3.267 20 0 CGADMP CO[C@@H]1CN(C[C@H]2CC=C(CCC=C(C)C)CC2)C[C@@H]1[NH3+] ZINC001237101317 819666721 /nfs/dbraw/zinc/66/67/21/819666721.db2.gz BMXARLIXAFQKCX-OKZBNKHCSA-N 2 1 292.467 3.117 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@H]2Nc3ccc(Cl)cc3[C@H]2C1 ZINC001237228800 819706959 /nfs/dbraw/zinc/70/69/59/819706959.db2.gz BEOYUEDDOCACNU-GDBMZVCRSA-N 2 1 293.842 3.052 20 0 CGADMP C[N@H+](C[C@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001237259394 819709651 /nfs/dbraw/zinc/70/96/51/819709651.db2.gz WAKWLKRNRTWBNX-IEBWSBKVSA-N 2 1 280.415 3.176 20 0 CGADMP C[N@@H+](C[C@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001237259394 819709657 /nfs/dbraw/zinc/70/96/57/819709657.db2.gz WAKWLKRNRTWBNX-IEBWSBKVSA-N 2 1 280.415 3.176 20 0 CGADMP CCc1cccc(C)c1C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001237328958 819729548 /nfs/dbraw/zinc/72/95/48/819729548.db2.gz FGPMXPLWSQBQLT-UHFFFAOYSA-N 2 1 274.452 3.474 20 0 CGADMP CCc1cccc(C)c1C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001237328958 819729551 /nfs/dbraw/zinc/72/95/51/819729551.db2.gz FGPMXPLWSQBQLT-UHFFFAOYSA-N 2 1 274.452 3.474 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)C1CCN(C)CC1 ZINC001237334567 819730379 /nfs/dbraw/zinc/73/03/79/819730379.db2.gz PGKVUTYEWYNICB-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP CCc1cccc(C)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001237334567 819730383 /nfs/dbraw/zinc/73/03/83/819730383.db2.gz PGKVUTYEWYNICB-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001237334567 819730386 /nfs/dbraw/zinc/73/03/86/819730386.db2.gz PGKVUTYEWYNICB-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP Clc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237379366 819738441 /nfs/dbraw/zinc/73/84/41/819738441.db2.gz BBRCSKXOSQAGEG-DOTOQJQBSA-N 2 1 292.854 3.347 20 0 CGADMP Clc1ccccc1CCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237379366 819738448 /nfs/dbraw/zinc/73/84/48/819738448.db2.gz BBRCSKXOSQAGEG-DOTOQJQBSA-N 2 1 292.854 3.347 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384174 819740350 /nfs/dbraw/zinc/74/03/50/819740350.db2.gz VFMUOJVFZKNARL-IAGOWNOFSA-N 2 1 264.457 3.421 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384174 819740354 /nfs/dbraw/zinc/74/03/54/819740354.db2.gz VFMUOJVFZKNARL-IAGOWNOFSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1c(Cl)cccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001237737061 819825668 /nfs/dbraw/zinc/82/56/68/819825668.db2.gz XHOYMKCIHHJPGB-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001237737061 819825674 /nfs/dbraw/zinc/82/56/74/819825674.db2.gz XHOYMKCIHHJPGB-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001237737061 819825679 /nfs/dbraw/zinc/82/56/79/819825679.db2.gz XHOYMKCIHHJPGB-CABCVRRESA-N 2 1 278.827 3.032 20 0 CGADMP CC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237889883 819873167 /nfs/dbraw/zinc/87/31/67/819873167.db2.gz PMPPDJIYXFEXLZ-QGZVFWFLSA-N 2 1 298.430 3.099 20 0 CGADMP C[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)CCC1(F)F ZINC001238104623 819936334 /nfs/dbraw/zinc/93/63/34/819936334.db2.gz YGMITCBFQZINPW-LBPRGKRZSA-N 2 1 279.334 3.202 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)CCC1(F)F ZINC001238104623 819936338 /nfs/dbraw/zinc/93/63/38/819936338.db2.gz YGMITCBFQZINPW-LBPRGKRZSA-N 2 1 279.334 3.202 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+](C)CCC[NH+](C)C ZINC001238667534 820072660 /nfs/dbraw/zinc/07/26/60/820072660.db2.gz NEJUAAOMPVBRNY-UHFFFAOYSA-N 2 1 292.467 3.474 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+](C)CCC[NH+](C)C ZINC001238667534 820072671 /nfs/dbraw/zinc/07/26/71/820072671.db2.gz NEJUAAOMPVBRNY-UHFFFAOYSA-N 2 1 292.467 3.474 20 0 CGADMP CC[N@H+]1CCc2cc(-c3ccc4c(c3)CC[NH2+]C4)ccc2C1 ZINC001240455358 821066809 /nfs/dbraw/zinc/06/68/09/821066809.db2.gz LDVYTSORAHYABR-UHFFFAOYSA-N 2 1 292.426 3.377 20 0 CGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240656755 821221169 /nfs/dbraw/zinc/22/11/69/821221169.db2.gz LBMNHEDHTJQJTN-QGZVFWFLSA-N 2 1 271.408 3.005 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001242021482 822285111 /nfs/dbraw/zinc/28/51/11/822285111.db2.gz CNPBRCQCOPWMPC-QGTPRVQTSA-N 2 1 297.446 3.364 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(c2c(C)c[nH+]c3ccccc32)C1 ZINC001340375244 936404048 /nfs/dbraw/zinc/40/40/48/936404048.db2.gz HRAHWIFTHBQPPD-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1CCCC1 ZINC001474509830 937864101 /nfs/dbraw/zinc/86/41/01/937864101.db2.gz XZECTVJSKFFUJY-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1CCCC1 ZINC001474509830 937864103 /nfs/dbraw/zinc/86/41/03/937864103.db2.gz XZECTVJSKFFUJY-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccn1C1CC1 ZINC001347791261 936896352 /nfs/dbraw/zinc/89/63/52/936896352.db2.gz BFGQHQUZTLATDA-UHFFFAOYSA-N 2 1 275.440 3.131 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccn1C1CC1 ZINC001347791261 936896355 /nfs/dbraw/zinc/89/63/55/936896355.db2.gz BFGQHQUZTLATDA-UHFFFAOYSA-N 2 1 275.440 3.131 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC001348516923 936924683 /nfs/dbraw/zinc/92/46/83/936924683.db2.gz XETKMDDBYLSLHD-VIFPVBQESA-N 2 1 261.196 3.081 20 0 CGADMP Cc1cc(C)c([C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC001349764366 936962003 /nfs/dbraw/zinc/96/20/03/936962003.db2.gz BXDWOHAMAAFTPA-MRXNPFEDSA-N 2 1 298.434 3.218 20 0 CGADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001349913271 936968632 /nfs/dbraw/zinc/96/86/32/936968632.db2.gz RQBBNLILURRBMZ-BQFCYCMXSA-N 2 1 272.436 3.084 20 0 CGADMP CSc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC001350319835 936987467 /nfs/dbraw/zinc/98/74/67/936987467.db2.gz OVHWYJNRHCLUBS-UHFFFAOYSA-N 2 1 280.437 3.062 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC001350319835 936987470 /nfs/dbraw/zinc/98/74/70/936987470.db2.gz OVHWYJNRHCLUBS-UHFFFAOYSA-N 2 1 280.437 3.062 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CC3CCC(F)(F)CC3)C[C@]2(C)C1 ZINC001351556949 937019293 /nfs/dbraw/zinc/01/92/93/937019293.db2.gz BJUAGHMOSADUFR-GJZGRUSLSA-N 2 1 286.410 3.086 20 0 CGADMP C[N@H+](Cc1cc2ccccc2[nH]1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001353945126 937084377 /nfs/dbraw/zinc/08/43/77/937084377.db2.gz XNEARMKAKHNFAF-VHRNVKJDSA-N 2 1 283.419 3.130 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001560652645 937229770 /nfs/dbraw/zinc/22/97/70/937229770.db2.gz FOGAXGOUCSDCEN-GVDBMIGSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001560652645 937229772 /nfs/dbraw/zinc/22/97/72/937229772.db2.gz FOGAXGOUCSDCEN-GVDBMIGSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001560652645 937229776 /nfs/dbraw/zinc/22/97/76/937229776.db2.gz FOGAXGOUCSDCEN-GVDBMIGSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2C)C1 ZINC001560665566 937231168 /nfs/dbraw/zinc/23/11/68/937231168.db2.gz CULYWWARUGPACD-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2C)C1 ZINC001560665566 937231170 /nfs/dbraw/zinc/23/11/70/937231170.db2.gz CULYWWARUGPACD-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C)C1 ZINC001560665566 937231173 /nfs/dbraw/zinc/23/11/73/937231173.db2.gz CULYWWARUGPACD-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C)C1 ZINC001560665566 937231175 /nfs/dbraw/zinc/23/11/75/937231175.db2.gz CULYWWARUGPACD-AWEZNQCLSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1Cl ZINC001560972070 937238906 /nfs/dbraw/zinc/23/89/06/937238906.db2.gz BXMJCDVXAWIXOG-ZBFHGGJFSA-N 2 1 278.827 3.174 20 0 CGADMP C=Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC001257207647 928604202 /nfs/dbraw/zinc/60/42/02/928604202.db2.gz ABMIZUIKPDWFND-UHFFFAOYSA-N 2 1 258.409 3.292 20 0 CGADMP C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]12 ZINC001462440969 928791991 /nfs/dbraw/zinc/79/19/91/928791991.db2.gz MLCIWLSADJPASU-TXCZRRACSA-N 2 1 262.441 3.172 20 0 CGADMP C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]12 ZINC001462440969 928791997 /nfs/dbraw/zinc/79/19/97/928791997.db2.gz MLCIWLSADJPASU-TXCZRRACSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC001460701882 937541278 /nfs/dbraw/zinc/54/12/78/937541278.db2.gz BQVCNXHWMXFVAH-BRWVUGGUSA-N 2 1 287.451 3.418 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001460720107 937541726 /nfs/dbraw/zinc/54/17/26/937541726.db2.gz KFAYOZLXISSUKW-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001460720107 937541728 /nfs/dbraw/zinc/54/17/28/937541728.db2.gz KFAYOZLXISSUKW-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001460800756 937546004 /nfs/dbraw/zinc/54/60/04/937546004.db2.gz KDABKVJVFVAPBX-HZPDHXFCSA-N 2 1 275.440 3.274 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccccn1)CC(C)C ZINC001460835553 937548001 /nfs/dbraw/zinc/54/80/01/937548001.db2.gz VJYKZZSTARAMQL-UHFFFAOYSA-N 2 1 277.456 3.272 20 0 CGADMP CC[NH+](CC)CCC[N@H+](Cc1ccccn1)CC(C)C ZINC001460835553 937548002 /nfs/dbraw/zinc/54/80/02/937548002.db2.gz VJYKZZSTARAMQL-UHFFFAOYSA-N 2 1 277.456 3.272 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163485586 932003272 /nfs/dbraw/zinc/00/32/72/932003272.db2.gz ZLKOUUIITVGBER-ZBFHGGJFSA-N 2 1 274.452 3.401 20 0 CGADMP CNc1ccccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC001460990700 937558131 /nfs/dbraw/zinc/55/81/31/937558131.db2.gz WBLCQGLOFFHRRE-UHFFFAOYSA-N 2 1 289.467 3.473 20 0 CGADMP CNc1ccccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC001460990700 937558132 /nfs/dbraw/zinc/55/81/32/937558132.db2.gz WBLCQGLOFFHRRE-UHFFFAOYSA-N 2 1 289.467 3.473 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001460997878 937558548 /nfs/dbraw/zinc/55/85/48/937558548.db2.gz VIYHELITRWWLHJ-CQSZACIVSA-N 2 1 263.429 3.454 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1CCCCC1 ZINC001461036584 937561013 /nfs/dbraw/zinc/56/10/13/937561013.db2.gz DJUHAFYREMZSMA-UHFFFAOYSA-N 2 1 261.413 3.208 20 0 CGADMP Cc1nc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001461050646 937561510 /nfs/dbraw/zinc/56/15/10/937561510.db2.gz LXCKYKHAKSOYSS-CYBMUJFWSA-N 2 1 281.469 3.196 20 0 CGADMP C([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001461263546 937572565 /nfs/dbraw/zinc/57/25/65/937572565.db2.gz JNPQIZLFXDHPQC-KRWDZBQOSA-N 2 1 264.457 3.421 20 0 CGADMP C([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001461263546 937572566 /nfs/dbraw/zinc/57/25/66/937572566.db2.gz JNPQIZLFXDHPQC-KRWDZBQOSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccsc2)CC1(C)C ZINC001461833207 937599375 /nfs/dbraw/zinc/59/93/75/937599375.db2.gz XWQOZCQOTZXOAX-CQSZACIVSA-N 2 1 266.454 3.143 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC001462333471 937633200 /nfs/dbraw/zinc/63/32/00/937633200.db2.gz IXTMUOGOMNOZNH-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC001462333471 937633203 /nfs/dbraw/zinc/63/32/03/937633203.db2.gz IXTMUOGOMNOZNH-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC001462333479 937633289 /nfs/dbraw/zinc/63/32/89/937633289.db2.gz IXTMUOGOMNOZNH-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC001462333479 937633290 /nfs/dbraw/zinc/63/32/90/937633290.db2.gz IXTMUOGOMNOZNH-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C12CCCC2 ZINC001462407355 937638784 /nfs/dbraw/zinc/63/87/84/937638784.db2.gz WINOYFQGBPBKKI-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP CCO[C@@H](C[NH2+][C@@H](C)CCC1CCCCC1)C[NH+](C)C ZINC001462575232 937651265 /nfs/dbraw/zinc/65/12/65/937651265.db2.gz YWZIZFSJRKDKQD-RDJZCZTQSA-N 2 1 284.488 3.292 20 0 CGADMP CCc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1 ZINC001308088825 933046267 /nfs/dbraw/zinc/04/62/67/933046267.db2.gz JBCRURNNZOYBMX-MRXNPFEDSA-N 2 1 295.430 3.355 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1C=CCCCCC1 ZINC001308089160 933046616 /nfs/dbraw/zinc/04/66/16/933046616.db2.gz KSOURKATZGYUEX-AEFFLSMTSA-N 2 1 285.435 3.481 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(C2CCCCC2)CC1 ZINC001308143192 933057120 /nfs/dbraw/zinc/05/71/20/933057120.db2.gz NDGXDGLFHINXPT-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP CCc1ccccc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001308458037 933113941 /nfs/dbraw/zinc/11/39/41/933113941.db2.gz RACHRSQQUDITQG-UHFFFAOYSA-N 2 1 262.441 3.317 20 0 CGADMP CC[N@@H+](CCc1cccs1)CC1CC[NH+](CC)CC1 ZINC001308619870 933144871 /nfs/dbraw/zinc/14/48/71/933144871.db2.gz PLKRPCGBZZITFA-UHFFFAOYSA-N 2 1 280.481 3.344 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001308976730 933218986 /nfs/dbraw/zinc/21/89/86/933218986.db2.gz BIHXHAYGJREJRR-UYTYNIKBSA-N 2 1 278.484 3.475 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001319127596 933829735 /nfs/dbraw/zinc/82/97/35/933829735.db2.gz KCURFJCSHVZILH-HUUCEWRRSA-N 2 1 281.403 3.004 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319212557 933842962 /nfs/dbraw/zinc/84/29/62/933842962.db2.gz XHDIARSUCOGLJQ-VHDGCEQUSA-N 2 1 266.454 3.142 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC001320174887 934013688 /nfs/dbraw/zinc/01/36/88/934013688.db2.gz PGEKWYBNVKQFKU-SFHVURJKSA-N 2 1 290.426 3.319 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)[C@H](C)C1 ZINC001320217266 934016862 /nfs/dbraw/zinc/01/68/62/934016862.db2.gz BVNNHVPWCILKOD-LJIZCISZSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC001320442098 934048308 /nfs/dbraw/zinc/04/83/08/934048308.db2.gz VJKLNYYJLNYRLB-VSZNYVQBSA-N 2 1 272.436 3.253 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001322271848 934267908 /nfs/dbraw/zinc/26/79/08/934267908.db2.gz IEHDTXJQVJDRPU-KDOFPFPSSA-N 2 1 288.410 3.231 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001322271848 934267914 /nfs/dbraw/zinc/26/79/14/934267914.db2.gz IEHDTXJQVJDRPU-KDOFPFPSSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001324427584 934503455 /nfs/dbraw/zinc/50/34/55/934503455.db2.gz VUJBZBNSBGMGCU-XYPWUTKMSA-N 2 1 294.389 3.064 20 0 CGADMP C[NH+](CCc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001324427584 934503461 /nfs/dbraw/zinc/50/34/61/934503461.db2.gz VUJBZBNSBGMGCU-XYPWUTKMSA-N 2 1 294.389 3.064 20 0 CGADMP C[NH+](CCc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001324427584 934503469 /nfs/dbraw/zinc/50/34/69/934503469.db2.gz VUJBZBNSBGMGCU-XYPWUTKMSA-N 2 1 294.389 3.064 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC3(CCC3)C2)C[C@H]1C ZINC001473211343 937797575 /nfs/dbraw/zinc/79/75/75/937797575.db2.gz XVXLMTWDXFQNIQ-ZBFHGGJFSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326276466 934965156 /nfs/dbraw/zinc/96/51/56/934965156.db2.gz AZBBUXHZIPGRNN-CYBMUJFWSA-N 2 1 294.389 3.491 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC001326603966 934994288 /nfs/dbraw/zinc/99/42/88/934994288.db2.gz BJYZZWWXQUEJPP-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC001326603966 934994289 /nfs/dbraw/zinc/99/42/89/934994289.db2.gz BJYZZWWXQUEJPP-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@@](C[NH3+])([NH2+]Cc1cnc(-c2ccccc2)s1)C1CC1 ZINC001326694691 934998928 /nfs/dbraw/zinc/99/89/28/934998928.db2.gz WWICGQWETRRUPB-INIZCTEOSA-N 2 1 287.432 3.027 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC001327089849 935027950 /nfs/dbraw/zinc/02/79/50/935027950.db2.gz PDBIQKPYLFNHBX-MRXNPFEDSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1c[nH+]c2ccccc2c1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001329364098 935208785 /nfs/dbraw/zinc/20/87/85/935208785.db2.gz PIMWRFJCULZCBM-RHSMWYFYSA-N 2 1 281.403 3.074 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](Cc2cccc3ccoc32)CC1 ZINC001332022168 935435262 /nfs/dbraw/zinc/43/52/62/935435262.db2.gz TUBYBTPWVIGVFF-UHFFFAOYSA-N 2 1 284.403 3.493 20 0 CGADMP FC(F)(F)CCC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001333837125 936069772 /nfs/dbraw/zinc/06/97/72/936069772.db2.gz ATZWSHHUNKCQQS-CYBMUJFWSA-N 2 1 278.362 3.041 20 0 CGADMP c1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC001333924500 936075470 /nfs/dbraw/zinc/07/54/70/936075470.db2.gz PWMURWLHNKMVDH-HZPDHXFCSA-N 2 1 296.418 3.279 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)CC[N@@H+]1C ZINC001334185833 936090190 /nfs/dbraw/zinc/09/01/90/936090190.db2.gz FFOXVSFWLNHQSR-PWSUYJOCSA-N 2 1 286.341 3.336 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)CC[N@H+]1C ZINC001334185833 936090195 /nfs/dbraw/zinc/09/01/95/936090195.db2.gz FFOXVSFWLNHQSR-PWSUYJOCSA-N 2 1 286.341 3.336 20 0 CGADMP C[C@@H]1C[C@@H](CCNc2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC001336391623 936191670 /nfs/dbraw/zinc/19/16/70/936191670.db2.gz LBLPNNBGUHPYOO-SJLPKXTDSA-N 2 1 295.430 3.216 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2C1 ZINC001336887588 936225092 /nfs/dbraw/zinc/22/50/92/936225092.db2.gz DDZPNTHADOSKFC-KZNAEPCWSA-N 2 1 297.446 3.330 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[N@H+](C)C1CCCC1 ZINC001473993137 937834017 /nfs/dbraw/zinc/83/40/17/937834017.db2.gz SZAOALNVVHJASN-NVXWUHKLSA-N 2 1 264.457 3.443 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC001473993137 937834019 /nfs/dbraw/zinc/83/40/19/937834019.db2.gz SZAOALNVVHJASN-NVXWUHKLSA-N 2 1 264.457 3.443 20 0 CGADMP COc1ccccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001474038107 937837305 /nfs/dbraw/zinc/83/73/05/937837305.db2.gz LNRSLGMFLRWLLN-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1(C)C ZINC001474499161 937863243 /nfs/dbraw/zinc/86/32/43/937863243.db2.gz LWTOSNNVOMCIBI-GVDBMIGSSA-N 2 1 296.499 3.290 20 0 CGADMP C([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001474644864 937872388 /nfs/dbraw/zinc/87/23/88/937872388.db2.gz DMTLPOWBTLVBIA-OWSLCNJRSA-N 2 1 276.468 3.277 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549709889 938158923 /nfs/dbraw/zinc/15/89/23/938158923.db2.gz CFWVOMRMHUKHQT-AEFFLSMTSA-N 2 1 287.451 3.074 20 0 CGADMP c1cc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)ccn1 ZINC001550242616 938164551 /nfs/dbraw/zinc/16/45/51/938164551.db2.gz IWPZWIGOEIUJQW-FGTMMUONSA-N 2 1 285.435 3.139 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001550542417 938167776 /nfs/dbraw/zinc/16/77/76/938167776.db2.gz QVECOKHFLKBDCI-GJZGRUSLSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001550542417 938167777 /nfs/dbraw/zinc/16/77/77/938167777.db2.gz QVECOKHFLKBDCI-GJZGRUSLSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001550542417 938167778 /nfs/dbraw/zinc/16/77/78/938167778.db2.gz QVECOKHFLKBDCI-GJZGRUSLSA-N 2 1 280.362 3.008 20 0 CGADMP CCc1ccc(CN[C@H]2Cc3ccccc3[C@H]2[NH3+])s1 ZINC001551401155 938181634 /nfs/dbraw/zinc/18/16/34/938181634.db2.gz HKEQVBFGMUNHAS-JKSUJKDBSA-N 2 1 272.417 3.025 20 0 CGADMP CC(C)[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552080899 938189940 /nfs/dbraw/zinc/18/99/40/938189940.db2.gz ZVYACOGTVQWDIC-BDXSIMOUSA-N 2 1 272.436 3.361 20 0 CGADMP Cn1cncc1[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001553815236 938200995 /nfs/dbraw/zinc/20/09/95/938200995.db2.gz BFHJUSXXWSFWFK-INIZCTEOSA-N 2 1 294.402 3.281 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001560419806 938257756 /nfs/dbraw/zinc/25/77/56/938257756.db2.gz IRHBUGBFYVFEIV-HNNXBMFYSA-N 2 1 295.430 3.042 20 0 CGADMP Cc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cnc1Cl ZINC001560433980 938258364 /nfs/dbraw/zinc/25/83/64/938258364.db2.gz GGQBURQCDSWTBP-UHFFFAOYSA-N 2 1 295.858 3.255 20 0 CGADMP Cc1cccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1F ZINC001560434416 938258478 /nfs/dbraw/zinc/25/84/78/938258478.db2.gz WGAWFEPSEKLEBW-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC001560706049 938271365 /nfs/dbraw/zinc/27/13/65/938271365.db2.gz ZLJKGKFOCCXSOS-UAGQMJEPSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001560809774 938277159 /nfs/dbraw/zinc/27/71/59/938277159.db2.gz XZMFECJNHYAXRG-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cccc(C)c2C)CC1 ZINC001560851102 938279373 /nfs/dbraw/zinc/27/93/73/938279373.db2.gz OZMOGJXKGZIWAK-UHFFFAOYSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001560882236 938281590 /nfs/dbraw/zinc/28/15/90/938281590.db2.gz FHNPHSUJEAWFAA-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001560882236 938281592 /nfs/dbraw/zinc/28/15/92/938281592.db2.gz FHNPHSUJEAWFAA-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001560987326 938288062 /nfs/dbraw/zinc/28/80/62/938288062.db2.gz VYRUFFPIHWTERC-MRXNPFEDSA-N 2 1 281.403 3.101 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2N(C)C)CC1 ZINC001561055475 938292238 /nfs/dbraw/zinc/29/22/38/938292238.db2.gz NLPUCBKCJPRDPM-ZDUSSCGKSA-N 2 1 293.430 3.027 20 0 CGADMP COC1(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCCCCC1 ZINC001462328698 958816528 /nfs/dbraw/zinc/81/65/28/958816528.db2.gz ULRZQNXGBAZGRT-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001258774788 960428869 /nfs/dbraw/zinc/42/88/69/960428869.db2.gz YWDOCQUOOZLBMW-GOSISDBHSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1F ZINC001460798909 960498317 /nfs/dbraw/zinc/49/83/17/960498317.db2.gz BGAVZTYXUYAVQP-OAHLLOKOSA-N 2 1 299.393 3.240 20 0 CGADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1F ZINC001460798909 960498332 /nfs/dbraw/zinc/49/83/32/960498332.db2.gz BGAVZTYXUYAVQP-OAHLLOKOSA-N 2 1 299.393 3.240 20 0 CGADMP CC(C)C[C@H]1CCCCC[N@H+]1CC1(C[NH3+])CCC1 ZINC001575550622 962383708 /nfs/dbraw/zinc/38/37/08/962383708.db2.gz XMAGBJOOQLHZCT-OAHLLOKOSA-N 2 1 252.446 3.406 20 0 CGADMP CC(C)CSCCC[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575616526 962404230 /nfs/dbraw/zinc/40/42/30/962404230.db2.gz APWFWYOQJOZBJD-HZPDHXFCSA-N 2 1 284.513 3.217 20 0 CGADMP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC001576050599 962427085 /nfs/dbraw/zinc/42/70/85/962427085.db2.gz VAUJERYPFGXCSB-HNAYVOBHSA-N 2 1 280.415 3.236 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1cc(F)cc(F)c1 ZINC001576033812 962431168 /nfs/dbraw/zinc/43/11/68/962431168.db2.gz WPQZJFWFFLHVKG-BLLLJJGKSA-N 2 1 294.389 3.333 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccc(C(C)(C)C)cc1 ZINC001576033106 962431880 /nfs/dbraw/zinc/43/18/80/962431880.db2.gz MSGITAYWYPJFOX-WMLDXEAASA-N 2 1 274.452 3.114 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)C(C)(C)c1ccccc1 ZINC001576237825 962447109 /nfs/dbraw/zinc/44/71/09/962447109.db2.gz ABBFNJHSMLLWGY-WCQYABFASA-N 2 1 288.357 3.222 20 0 CGADMP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC001576458028 962455694 /nfs/dbraw/zinc/45/56/94/962455694.db2.gz VHOOBQDMMSVEQF-OCCSQVGLSA-N 2 1 264.438 3.131 20 0 CGADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC001576458028 962455703 /nfs/dbraw/zinc/45/57/03/962455703.db2.gz VHOOBQDMMSVEQF-OCCSQVGLSA-N 2 1 264.438 3.131 20 0 CGADMP CC1(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)CCCCCC1 ZINC001576518672 962469455 /nfs/dbraw/zinc/46/94/55/962469455.db2.gz DEVUUZPQMASCOH-NSHDSACASA-N 2 1 266.351 3.216 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(C)C)C[NH2+]1 ZINC001576671325 962483300 /nfs/dbraw/zinc/48/33/00/962483300.db2.gz YELJWBUGABJSNS-HJWJTTGWSA-N 2 1 272.436 3.156 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001576747834 962490205 /nfs/dbraw/zinc/49/02/05/962490205.db2.gz GHSRHAUCSBJXNH-IIAWOOMASA-N 2 1 252.446 3.323 20 0 CGADMP C[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@H]1C[NH3+] ZINC001576806484 962491950 /nfs/dbraw/zinc/49/19/50/962491950.db2.gz FHNPATJIKICRBH-WBVHZDCISA-N 2 1 298.430 3.135 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC001577096632 962510458 /nfs/dbraw/zinc/51/04/58/962510458.db2.gz SKJZXXMBMOIUCA-LSDHHAIUSA-N 2 1 280.843 3.249 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001577374785 962531526 /nfs/dbraw/zinc/53/15/26/962531526.db2.gz GCPHFHUSIDBHHC-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001578216849 962573958 /nfs/dbraw/zinc/57/39/58/962573958.db2.gz UNOGWJUYZMZRQC-MRXNPFEDSA-N 2 1 278.465 3.253 20 0 CGADMP CCc1ccc(C2=CC[N@@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001578253750 962575846 /nfs/dbraw/zinc/57/58/46/962575846.db2.gz LDIOMABAHAGAHG-KRWDZBQOSA-N 2 1 284.447 3.338 20 0 CGADMP C[N@H+](Cc1cc2ccccc2[nH]1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578485596 962597956 /nfs/dbraw/zinc/59/79/56/962597956.db2.gz MCYPQLBENUDPBI-SHTZXODSSA-N 2 1 285.435 3.365 20 0 CGADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001579267767 962620371 /nfs/dbraw/zinc/62/03/71/962620371.db2.gz WMLGJJVFNCBTEF-KKBFJZEXSA-N 2 1 288.435 3.206 20 0 CGADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]([NH3+])C(C)C)cc1C ZINC001579571452 962635648 /nfs/dbraw/zinc/63/56/48/962635648.db2.gz GFNRVGXNGIAOSJ-DKRLNXSXSA-N 2 1 260.425 3.198 20 0 CGADMP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc1 ZINC001579677732 962652226 /nfs/dbraw/zinc/65/22/26/962652226.db2.gz BHOKHBNNHIGFLQ-AHCXZYCDSA-N 2 1 272.436 3.028 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H](C[NH3+])C(C)C)cc1 ZINC001579684506 962653405 /nfs/dbraw/zinc/65/34/05/962653405.db2.gz HIFJTWASXBNHNN-MSOLQXFVSA-N 2 1 274.452 3.233 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H]3C[NH2+]C[C@H](C)C3)CCC2)cc1C ZINC001579678328 962654642 /nfs/dbraw/zinc/65/46/42/962654642.db2.gz QSCPBYAGRWKJQI-KDOFPFPSSA-N 2 1 286.463 3.313 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC001579875683 962680879 /nfs/dbraw/zinc/68/08/79/962680879.db2.gz ICAFVZRKKIOCFX-PBHICJAKSA-N 2 1 291.439 3.103 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@H]2c2cccc(F)c2)CCC1 ZINC001580244466 962704955 /nfs/dbraw/zinc/70/49/55/962704955.db2.gz YAIWBTLCZPNJIF-HNNXBMFYSA-N 2 1 262.372 3.092 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2CC2(O)CCCCC2)C1 ZINC001580387034 962716814 /nfs/dbraw/zinc/71/68/14/962716814.db2.gz GJBFBZRJSUHUHN-GVDBMIGSSA-N 2 1 294.483 3.054 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000337444477 214084792 /nfs/dbraw/zinc/08/47/92/214084792.db2.gz ZNKULZPLYZZFAL-INIZCTEOSA-N 2 1 275.371 3.318 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc2ccccc2[nH]1)C1CC1 ZINC000651599761 398257451 /nfs/dbraw/zinc/25/74/51/398257451.db2.gz KUYRGFBVGREXBO-UHFFFAOYSA-N 2 1 271.408 3.132 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CCC3)CCN1C ZINC000651644384 398261459 /nfs/dbraw/zinc/26/14/59/398261459.db2.gz PSSOVKFLUSFBRI-PBHICJAKSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2CCC3)CC[N@@H+]1C ZINC000651644384 398261461 /nfs/dbraw/zinc/26/14/61/398261461.db2.gz PSSOVKFLUSFBRI-PBHICJAKSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2CCC3)CC[N@H+]1C ZINC000651644384 398261463 /nfs/dbraw/zinc/26/14/63/398261463.db2.gz PSSOVKFLUSFBRI-PBHICJAKSA-N 2 1 272.436 3.090 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000621728126 349569647 /nfs/dbraw/zinc/56/96/47/349569647.db2.gz BZEGJOVJRJLBTD-CZUORRHYSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000621728126 349569651 /nfs/dbraw/zinc/56/96/51/349569651.db2.gz BZEGJOVJRJLBTD-CZUORRHYSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000621728126 349569657 /nfs/dbraw/zinc/56/96/57/349569657.db2.gz BZEGJOVJRJLBTD-CZUORRHYSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000621728126 349569662 /nfs/dbraw/zinc/56/96/62/349569662.db2.gz BZEGJOVJRJLBTD-CZUORRHYSA-N 2 1 280.481 3.473 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622005380 349620988 /nfs/dbraw/zinc/62/09/88/349620988.db2.gz CQZNHFFPKFXLCH-KXBFYZLASA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622005380 349620992 /nfs/dbraw/zinc/62/09/92/349620992.db2.gz CQZNHFFPKFXLCH-KXBFYZLASA-N 2 1 296.414 3.162 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc2c1CCC2)C1CC1 ZINC000651827970 398294923 /nfs/dbraw/zinc/29/49/23/398294923.db2.gz SFCIUCXEWMZZHU-UHFFFAOYSA-N 2 1 272.436 3.139 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000651866080 398299083 /nfs/dbraw/zinc/29/90/83/398299083.db2.gz UBMBOZZACOBAIB-MRXNPFEDSA-N 2 1 292.467 3.281 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337987654 214345978 /nfs/dbraw/zinc/34/59/78/214345978.db2.gz GMFNZDNSRNKVRJ-CVEARBPZSA-N 2 1 261.413 3.140 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338006935 214356908 /nfs/dbraw/zinc/35/69/08/214356908.db2.gz DNOBYKJXMMLYER-FVQBIDKESA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000338016185 214363097 /nfs/dbraw/zinc/36/30/97/214363097.db2.gz JCUNTCYQCCKDML-HZPDHXFCSA-N 2 1 261.413 3.140 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000338025794 214367355 /nfs/dbraw/zinc/36/73/55/214367355.db2.gz IZQLKEBLVDUOBJ-UHFFFAOYSA-N 2 1 289.345 3.292 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423468475 529567657 /nfs/dbraw/zinc/56/76/57/529567657.db2.gz OKFNMXKUUKOZBX-MJGOQNOKSA-N 2 1 298.430 3.306 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423456126 529569465 /nfs/dbraw/zinc/56/94/65/529569465.db2.gz DFRGADVOEFVEBI-SJLPKXTDSA-N 2 1 286.394 3.436 20 0 CGADMP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(F)cn1 ZINC000355036493 529591432 /nfs/dbraw/zinc/59/14/32/529591432.db2.gz JSCIAYQXNYADJF-HNNXBMFYSA-N 2 1 293.430 3.383 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)[C@H]1C[C@H]1C ZINC000414112446 529585983 /nfs/dbraw/zinc/58/59/83/529585983.db2.gz JUZJNBDXJFHFOH-PVAVHDDUSA-N 2 1 287.451 3.383 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000336803254 282205419 /nfs/dbraw/zinc/20/54/19/282205419.db2.gz XQLITQNJFXTVOM-LBPRGKRZSA-N 2 1 275.421 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2sccc2[C@@H]1C ZINC000336803254 282205421 /nfs/dbraw/zinc/20/54/21/282205421.db2.gz XQLITQNJFXTVOM-LBPRGKRZSA-N 2 1 275.421 3.262 20 0 CGADMP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423324715 529622140 /nfs/dbraw/zinc/62/21/40/529622140.db2.gz IWRAPFRWTNEIGB-JKSUJKDBSA-N 2 1 282.378 3.395 20 0 CGADMP COc1cc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1Cl ZINC000623358470 349788053 /nfs/dbraw/zinc/78/80/53/349788053.db2.gz BJHVKTGBEHCKBY-LSDHHAIUSA-N 2 1 294.826 3.065 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423366082 529650567 /nfs/dbraw/zinc/65/05/67/529650567.db2.gz LFUBJFKEUPCCPF-UFBFGSQYSA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000423453466 529650712 /nfs/dbraw/zinc/65/07/12/529650712.db2.gz XQYGEHRLAKYGRB-KWBADKCTSA-N 2 1 272.339 3.064 20 0 CGADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1Cl ZINC000623363337 349789900 /nfs/dbraw/zinc/78/99/00/349789900.db2.gz OFRSMOGSTCBAPY-UHFFFAOYSA-N 2 1 293.798 3.033 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)CC1(C)C ZINC000623350726 349786162 /nfs/dbraw/zinc/78/61/62/349786162.db2.gz QNMCOMPKKYRQCW-MRXNPFEDSA-N 2 1 272.436 3.181 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623374359 349793412 /nfs/dbraw/zinc/79/34/12/349793412.db2.gz BHKZVCSXQNOILV-CQSZACIVSA-N 2 1 278.465 3.371 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623374359 349793416 /nfs/dbraw/zinc/79/34/16/349793416.db2.gz BHKZVCSXQNOILV-CQSZACIVSA-N 2 1 278.465 3.371 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000623425717 349805984 /nfs/dbraw/zinc/80/59/84/349805984.db2.gz KNDNPFOECMPION-ZWKOTPCHSA-N 2 1 286.463 3.470 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC3CCC2CC3)CC1(C)C ZINC000623453376 349812933 /nfs/dbraw/zinc/81/29/33/349812933.db2.gz LZALFEFKPBCCTP-WUCCLRPBSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478211 349816847 /nfs/dbraw/zinc/81/68/47/349816847.db2.gz DDAIWOKNGHZLOV-RYUDHWBXSA-N 2 1 282.378 3.488 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414185512 529729703 /nfs/dbraw/zinc/72/97/03/529729703.db2.gz OUHOPLOQYFTUSV-GXTWGEPZSA-N 2 1 295.496 3.396 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNc2ccccc2F)CC1(C)C ZINC000623490827 349818996 /nfs/dbraw/zinc/81/89/96/349818996.db2.gz ZEADJRAZOHYDLY-CQSZACIVSA-N 2 1 293.430 3.090 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)CC1(C)C ZINC000623514992 349825459 /nfs/dbraw/zinc/82/54/59/349825459.db2.gz JQTQRFMIWUTPFV-ZDUSSCGKSA-N 2 1 274.399 3.274 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC2(C)C)CC1(C)C ZINC000623533991 349828415 /nfs/dbraw/zinc/82/84/15/349828415.db2.gz RDCOPLQXLCYGHT-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(C)C)CC1(C)C ZINC000623533990 349828559 /nfs/dbraw/zinc/82/85/59/349828559.db2.gz RDCOPLQXLCYGHT-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)[C@@H]2CCC[C@@H]21 ZINC000367629380 529806760 /nfs/dbraw/zinc/80/67/60/529806760.db2.gz YDGQXYVEDYFUKL-WDSOQIARSA-N 2 1 295.430 3.197 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3ccoc32)C1 ZINC000449327859 529808626 /nfs/dbraw/zinc/80/86/26/529808626.db2.gz DCVVLVLVUQDVBX-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3ccoc32)C1 ZINC000449327859 529808627 /nfs/dbraw/zinc/80/86/27/529808627.db2.gz DCVVLVLVUQDVBX-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3ccoc32)C1 ZINC000449327859 529808628 /nfs/dbraw/zinc/80/86/28/529808628.db2.gz DCVVLVLVUQDVBX-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000623656805 349858720 /nfs/dbraw/zinc/85/87/20/349858720.db2.gz CGAMYTJHHYOIHC-CYBMUJFWSA-N 2 1 289.448 3.118 20 0 CGADMP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657514 349860210 /nfs/dbraw/zinc/86/02/10/349860210.db2.gz SLHCRHQFFNCXPB-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623655757 349856850 /nfs/dbraw/zinc/85/68/50/349856850.db2.gz DSCKRLVXAQWFJB-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623655723 349857145 /nfs/dbraw/zinc/85/71/45/349857145.db2.gz CTVJCAPSYMTEKO-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP Cc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1C ZINC000623655431 349857328 /nfs/dbraw/zinc/85/73/28/349857328.db2.gz XLRLGGLHGFNBDY-MRXNPFEDSA-N 2 1 260.425 3.125 20 0 CGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(Cl)c1 ZINC000623656531 349857784 /nfs/dbraw/zinc/85/77/84/349857784.db2.gz WHZDBTDMSIWAFF-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(Cl)c1 ZINC000623656531 349857787 /nfs/dbraw/zinc/85/77/87/349857787.db2.gz WHZDBTDMSIWAFF-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCSCC[C@H](C)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000592476455 346992726 /nfs/dbraw/zinc/99/27/26/346992726.db2.gz VIUWYZPMGQFOPF-AWEZNQCLSA-N 2 1 272.502 3.230 20 0 CGADMP C[N@@H+](CCSCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000192585994 529929017 /nfs/dbraw/zinc/92/90/17/529929017.db2.gz ZROSTKSQKZDCRM-UHFFFAOYSA-N 2 1 292.492 3.193 20 0 CGADMP C[N@H+](CCc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000173636583 529934288 /nfs/dbraw/zinc/93/42/88/529934288.db2.gz AYONJJGCMFEOTB-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000173636583 529934289 /nfs/dbraw/zinc/93/42/89/529934289.db2.gz AYONJJGCMFEOTB-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH+](CCc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000173636583 529934291 /nfs/dbraw/zinc/93/42/91/529934291.db2.gz AYONJJGCMFEOTB-KRWDZBQOSA-N 2 1 260.425 3.035 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423235368 529979168 /nfs/dbraw/zinc/97/91/68/529979168.db2.gz APIMOEUQEWJYTE-KGLIPLIRSA-N 2 1 286.341 3.151 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423277872 529985426 /nfs/dbraw/zinc/98/54/26/529985426.db2.gz QHQTYDNRWWKTQV-CYBMUJFWSA-N 2 1 266.388 3.202 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423276437 529986390 /nfs/dbraw/zinc/98/63/90/529986390.db2.gz ONMKOODHGDSWGF-DNVCBOLYSA-N 2 1 298.430 3.230 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000040599444 344964084 /nfs/dbraw/zinc/96/40/84/344964084.db2.gz OQUFOUUFLITUNJ-AWEZNQCLSA-N 2 1 296.842 3.040 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000037229563 344948788 /nfs/dbraw/zinc/94/87/88/344948788.db2.gz QIALDQJLMGDVJW-OAHLLOKOSA-N 2 1 276.424 3.140 20 0 CGADMP C[N@@H+](CCC[NH2+]C(C1CC1)C1CC1)Cc1ccccc1 ZINC000037466558 344950434 /nfs/dbraw/zinc/95/04/34/344950434.db2.gz VDVJZEUVBCQUSJ-UHFFFAOYSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000295112066 199350562 /nfs/dbraw/zinc/35/05/62/199350562.db2.gz WFKQHTBCHDSZGG-GOOCMWNKSA-N 2 1 278.827 3.363 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156569819 232229027 /nfs/dbraw/zinc/22/90/27/232229027.db2.gz RWWNWYMUSKWHND-JZXOWHBKSA-N 2 1 274.452 3.388 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156569819 232229029 /nfs/dbraw/zinc/22/90/29/232229029.db2.gz RWWNWYMUSKWHND-JZXOWHBKSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090106338 345783171 /nfs/dbraw/zinc/78/31/71/345783171.db2.gz DPVHSIZKNABHCK-PNDGYWDASA-N 2 1 264.457 3.274 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cn2)C1 ZINC000090586215 345790461 /nfs/dbraw/zinc/79/04/61/345790461.db2.gz XTTHCMLQYXJONG-GJZGRUSLSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cn2)C1 ZINC000090586215 345790464 /nfs/dbraw/zinc/79/04/64/345790464.db2.gz XTTHCMLQYXJONG-GJZGRUSLSA-N 2 1 293.430 3.239 20 0 CGADMP C[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000095694609 345900231 /nfs/dbraw/zinc/90/02/31/345900231.db2.gz BVLBMMOUOUHEPQ-IYBDPMFKSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000095694609 345900235 /nfs/dbraw/zinc/90/02/35/345900235.db2.gz BVLBMMOUOUHEPQ-IYBDPMFKSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000095694609 345900237 /nfs/dbraw/zinc/90/02/37/345900237.db2.gz BVLBMMOUOUHEPQ-IYBDPMFKSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)c1ccc(CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000127371459 346031087 /nfs/dbraw/zinc/03/10/87/346031087.db2.gz MSYZNKONQPECBB-KRWDZBQOSA-N 2 1 286.463 3.426 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])Cc1ccc(OC)cc1 ZINC000138558639 346096649 /nfs/dbraw/zinc/09/66/49/346096649.db2.gz HZJFAJXUEAQYCL-UHFFFAOYSA-N 2 1 264.413 3.036 20 0 CGADMP CC1(C)CCC[C@@H]1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624027427 349950003 /nfs/dbraw/zinc/95/00/03/349950003.db2.gz UCDCKCSQQMYWEE-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000250487097 346385512 /nfs/dbraw/zinc/38/55/12/346385512.db2.gz FDHQRQKVQQUVGN-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000252217287 346390674 /nfs/dbraw/zinc/39/06/74/346390674.db2.gz YARNCZLORWOIST-UGUYLWEFSA-N 2 1 252.446 3.131 20 0 CGADMP c1ccc([C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000316993675 346485895 /nfs/dbraw/zinc/48/58/95/346485895.db2.gz UMHNCROIBCEHHB-IBGZPJMESA-N 2 1 292.426 3.322 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000313404741 346479824 /nfs/dbraw/zinc/47/98/24/346479824.db2.gz ZDCIULKFPUPILR-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000351851437 219226379 /nfs/dbraw/zinc/22/63/79/219226379.db2.gz AFXIRWMFFXQUBK-JKSUJKDBSA-N 2 1 270.436 3.178 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000598964789 347701514 /nfs/dbraw/zinc/70/15/14/347701514.db2.gz RKYHBKULCMMEHG-MGPQQGTHSA-N 2 1 270.486 3.123 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120807 349978757 /nfs/dbraw/zinc/97/87/57/349978757.db2.gz HHBKXCWQPOJCBZ-WMLDXEAASA-N 2 1 288.435 3.004 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CC2 ZINC000624121005 349978913 /nfs/dbraw/zinc/97/89/13/349978913.db2.gz LMJOSCUWXYEBMI-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000624121355 349978465 /nfs/dbraw/zinc/97/84/65/349978465.db2.gz ULZFMXJQAVHLTQ-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccncc1Cl ZINC000624123072 349981258 /nfs/dbraw/zinc/98/12/58/349981258.db2.gz FLPFBQXXXXCAEO-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624122145 349980307 /nfs/dbraw/zinc/98/03/07/349980307.db2.gz KTWYWANWYOWOBY-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCC1 ZINC000624123027 349981765 /nfs/dbraw/zinc/98/17/65/349981765.db2.gz DKABVFPDIXUALX-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCCCOc1ccccc1 ZINC000339406871 215151426 /nfs/dbraw/zinc/15/14/26/215151426.db2.gz GVUMAKZMHPGKAN-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCCCOc1ccccc1 ZINC000339406871 215151428 /nfs/dbraw/zinc/15/14/28/215151428.db2.gz GVUMAKZMHPGKAN-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000339409416 215151909 /nfs/dbraw/zinc/15/19/09/215151909.db2.gz MFDBWHBIEZVGAN-NVXWUHKLSA-N 2 1 275.440 3.072 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000339409770 215155219 /nfs/dbraw/zinc/15/52/19/215155219.db2.gz NNZMQCKZHQODSS-CZUORRHYSA-N 2 1 266.404 3.234 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339430765 215164958 /nfs/dbraw/zinc/16/49/58/215164958.db2.gz MUBUKWLSGUZKDB-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339430765 215164961 /nfs/dbraw/zinc/16/49/61/215164961.db2.gz MUBUKWLSGUZKDB-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339430765 215164963 /nfs/dbraw/zinc/16/49/63/215164963.db2.gz MUBUKWLSGUZKDB-GOSISDBHSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000359079784 233256085 /nfs/dbraw/zinc/25/60/85/233256085.db2.gz NMESLKMQLXLBAI-UHFFFAOYSA-N 2 1 282.391 3.079 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@@H](C)C1 ZINC000624272648 350017024 /nfs/dbraw/zinc/01/70/24/350017024.db2.gz NOVGXTWHNUZOFO-QWHCGFSZSA-N 2 1 292.389 3.429 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccsc1Cl ZINC000359723281 233365694 /nfs/dbraw/zinc/36/56/94/233365694.db2.gz RSFZAMRCNLPTAT-JTQLQIEISA-N 2 1 283.828 3.332 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC2(CC2)CC1 ZINC000626113751 350262721 /nfs/dbraw/zinc/26/27/21/350262721.db2.gz FCJPTGKRABHPEQ-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCC2(CC2)CC1 ZINC000626113751 350262726 /nfs/dbraw/zinc/26/27/26/350262726.db2.gz FCJPTGKRABHPEQ-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCC2(CC2)CC1 ZINC000626113751 350262729 /nfs/dbraw/zinc/26/27/29/350262729.db2.gz FCJPTGKRABHPEQ-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628202846 350439553 /nfs/dbraw/zinc/43/95/53/350439553.db2.gz JZNSHSXIURNOGM-HZPDHXFCSA-N 2 1 284.513 3.374 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000628173673 350422473 /nfs/dbraw/zinc/42/24/73/350422473.db2.gz GKTVYWWFHFPAKJ-ARFHVFGLSA-N 2 1 252.446 3.086 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000628183132 350427523 /nfs/dbraw/zinc/42/75/23/350427523.db2.gz RONCNSXGLCOIRE-KDOFPFPSSA-N 2 1 285.435 3.330 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628202639 350439393 /nfs/dbraw/zinc/43/93/93/350439393.db2.gz BRTNKOLXVAJXBE-AWEZNQCLSA-N 2 1 291.439 3.296 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000628217089 350445852 /nfs/dbraw/zinc/44/58/52/350445852.db2.gz KHHNUBHDLNQAAW-SQNIBIBYSA-N 2 1 296.499 3.029 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2[nH]ccc2c1 ZINC000628279952 350474899 /nfs/dbraw/zinc/47/48/99/350474899.db2.gz IYLALFQEIMDXBF-UHFFFAOYSA-N 2 1 273.424 3.332 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC(F)(F)C1 ZINC000628353286 350514193 /nfs/dbraw/zinc/51/41/93/350514193.db2.gz PMLMULMXQRBYDT-TZMCWYRMSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)Cc1ccccc1 ZINC000628425379 350535713 /nfs/dbraw/zinc/53/57/13/350535713.db2.gz IYOAVKWDZRCRAM-WMZOPIPTSA-N 2 1 274.452 3.187 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628425562 350536589 /nfs/dbraw/zinc/53/65/89/350536589.db2.gz ORAWUWXPKPGKOK-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2c1 ZINC000629528833 350703302 /nfs/dbraw/zinc/70/33/02/350703302.db2.gz KQZOOVOWNVWJGT-HNNXBMFYSA-N 2 1 283.419 3.104 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cc2c1 ZINC000629537842 350705891 /nfs/dbraw/zinc/70/58/91/350705891.db2.gz LSQIGFKMPIUOCJ-DNVCBOLYSA-N 2 1 297.446 3.493 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629537027 350706116 /nfs/dbraw/zinc/70/61/16/350706116.db2.gz INGGPMSTIGSESZ-OLMNPRSZSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)[C@H]1CCCC[NH2+]1 ZINC000629550888 350711170 /nfs/dbraw/zinc/71/11/70/350711170.db2.gz PPUYPUDSDLIBHJ-VXGBXAGGSA-N 2 1 278.362 3.229 20 0 CGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000629500811 350697508 /nfs/dbraw/zinc/69/75/08/350697508.db2.gz GWZDBBSDXGPXEY-UHFFFAOYSA-N 2 1 298.352 3.063 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C[NH2+]1 ZINC000629659850 350732085 /nfs/dbraw/zinc/73/20/85/350732085.db2.gz IXEXWWLQKVYXHP-NEPJUHHUSA-N 2 1 284.806 3.142 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)CC1(C)C ZINC000631246037 351004528 /nfs/dbraw/zinc/00/45/28/351004528.db2.gz WSHIXKMEWAPWEO-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(C)ccn1 ZINC000631570970 351070662 /nfs/dbraw/zinc/07/06/62/351070662.db2.gz ZHAIUOVWWMZMLX-MRXNPFEDSA-N 2 1 286.423 3.416 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000634683485 351569864 /nfs/dbraw/zinc/56/98/64/351569864.db2.gz SHMWQQFKRLNLID-NVXWUHKLSA-N 2 1 294.483 3.331 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc2ncccc12 ZINC000634687735 351573696 /nfs/dbraw/zinc/57/36/96/351573696.db2.gz XRPAODXBHAJWCS-INIZCTEOSA-N 2 1 271.408 3.040 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)c2ccccc21 ZINC000635003129 351621964 /nfs/dbraw/zinc/62/19/64/351621964.db2.gz GMKISBMHMZEZOU-MANSERQUSA-N 2 1 294.398 3.251 20 0 CGADMP Cc1ncc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000635005534 351623933 /nfs/dbraw/zinc/62/39/33/351623933.db2.gz JDTCKWYDWHUWLC-DYEKYZERSA-N 2 1 281.469 3.413 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000635007824 351625417 /nfs/dbraw/zinc/62/54/17/351625417.db2.gz GRYWUNDRLDMXHN-QMMMGPOBSA-N 2 1 292.732 3.056 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000635011899 351630012 /nfs/dbraw/zinc/63/00/12/351630012.db2.gz QAXKZEDEIULSML-IAQYHMDHSA-N 2 1 294.389 3.320 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCC2CCCC2)CC[N@@H+]1C ZINC000122077262 187013981 /nfs/dbraw/zinc/01/39/81/187013981.db2.gz PEDYGBWCYSKUOI-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCC2CCCC2)CC[N@H+]1C ZINC000122077262 187013982 /nfs/dbraw/zinc/01/39/82/187013982.db2.gz PEDYGBWCYSKUOI-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCC2CCCC2)CC[NH+]1C ZINC000122077262 187013983 /nfs/dbraw/zinc/01/39/83/187013983.db2.gz PEDYGBWCYSKUOI-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC2CCCC2)CC[NH+]1C ZINC000122077262 187013984 /nfs/dbraw/zinc/01/39/84/187013984.db2.gz PEDYGBWCYSKUOI-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP COC[C@H](C)[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000352285473 219392779 /nfs/dbraw/zinc/39/27/79/219392779.db2.gz FWTVQLIIULEKDI-INIZCTEOSA-N 2 1 292.467 3.111 20 0 CGADMP COC[C@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000352285473 219392783 /nfs/dbraw/zinc/39/27/83/219392783.db2.gz FWTVQLIIULEKDI-INIZCTEOSA-N 2 1 292.467 3.111 20 0 CGADMP COC[C@H](C)[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000352285473 219392787 /nfs/dbraw/zinc/39/27/87/219392787.db2.gz FWTVQLIIULEKDI-INIZCTEOSA-N 2 1 292.467 3.111 20 0 CGADMP COC[C@H](C)[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352285473 219392789 /nfs/dbraw/zinc/39/27/89/219392789.db2.gz FWTVQLIIULEKDI-INIZCTEOSA-N 2 1 292.467 3.111 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000271534883 191198114 /nfs/dbraw/zinc/19/81/14/191198114.db2.gz KXCOGXZJHUMTSL-YOEHRIQHSA-N 2 1 290.426 3.221 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365629101 234117803 /nfs/dbraw/zinc/11/78/03/234117803.db2.gz MKCYYGARHNBMQC-HNNXBMFYSA-N 2 1 287.382 3.247 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271577010 191223529 /nfs/dbraw/zinc/22/35/29/191223529.db2.gz ZTNHQWHRDNOFOS-ZMSDIMECSA-N 2 1 292.492 3.238 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000271658622 191264933 /nfs/dbraw/zinc/26/49/33/191264933.db2.gz GJNYQWYKKQQBBI-STQMWFEESA-N 2 1 298.377 3.423 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1OC(F)F ZINC000271658622 191264934 /nfs/dbraw/zinc/26/49/34/191264934.db2.gz GJNYQWYKKQQBBI-STQMWFEESA-N 2 1 298.377 3.423 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000152490469 188023783 /nfs/dbraw/zinc/02/37/83/188023783.db2.gz SHHPBMUCXBCHEO-FXAWDEMLSA-N 2 1 298.474 3.390 20 0 CGADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000152651620 188034628 /nfs/dbraw/zinc/03/46/28/188034628.db2.gz BAGCEMFGRXPNLX-XJKSGUPXSA-N 2 1 258.409 3.227 20 0 CGADMP c1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157129977 188298894 /nfs/dbraw/zinc/29/88/94/188298894.db2.gz RVSTXRGNEYPVOT-SFHVURJKSA-N 2 1 272.436 3.179 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292535749 198323548 /nfs/dbraw/zinc/32/35/48/198323548.db2.gz XIQZMJGKZVBDQH-BBRMVZONSA-N 2 1 296.480 3.072 20 0 CGADMP Fc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459558426 283018522 /nfs/dbraw/zinc/01/85/22/283018522.db2.gz ACXGEFRIDNQWEB-GOSISDBHSA-N 2 1 288.410 3.420 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000271771945 191317545 /nfs/dbraw/zinc/31/75/45/191317545.db2.gz JYDNWALAXDOBES-UHFFFAOYSA-N 2 1 275.783 3.124 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000271900962 191398110 /nfs/dbraw/zinc/39/81/10/191398110.db2.gz YEAASPKBUQJKRB-KRWDZBQOSA-N 2 1 287.382 3.462 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000271897306 191397325 /nfs/dbraw/zinc/39/73/25/191397325.db2.gz XLIOSUAYCVOQRD-CYBMUJFWSA-N 2 1 291.826 3.456 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@H]3C[C@@H]3C)CCCC2)CC1 ZINC000414129515 235342653 /nfs/dbraw/zinc/34/26/53/235342653.db2.gz VBNDYEMHGBUVTG-UXLLHSPISA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414805140 235468828 /nfs/dbraw/zinc/46/88/28/235468828.db2.gz ACLWRLJHFROHKS-VKJFTORMSA-N 2 1 289.467 3.107 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC000293773813 198767044 /nfs/dbraw/zinc/76/70/44/198767044.db2.gz SJBUMMDCCHWDDR-CZIWCDLHSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1nccs1 ZINC000106249958 138354238 /nfs/dbraw/zinc/35/42/38/138354238.db2.gz YKWWUYLZUYZTNS-LBPRGKRZSA-N 2 1 275.421 3.056 20 0 CGADMP CCC(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472448726 535350628 /nfs/dbraw/zinc/35/06/28/535350628.db2.gz PUTYTFACGXZGQV-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472448726 535350634 /nfs/dbraw/zinc/35/06/34/535350634.db2.gz PUTYTFACGXZGQV-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP CCC(C)(C)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472448726 535350636 /nfs/dbraw/zinc/35/06/36/535350636.db2.gz PUTYTFACGXZGQV-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000127721865 138390245 /nfs/dbraw/zinc/39/02/45/138390245.db2.gz ASMUUCQCHMFIRZ-QAPCUYQASA-N 2 1 295.430 3.178 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000129429919 138396719 /nfs/dbraw/zinc/39/67/19/138396719.db2.gz BUHCLAICOPXEIN-TTZDDIAXSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423279553 236020568 /nfs/dbraw/zinc/02/05/68/236020568.db2.gz RLQJKGFCFMJUJE-AMIZOPFISA-N 2 1 273.207 3.381 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287791 236024405 /nfs/dbraw/zinc/02/44/05/236024405.db2.gz OOPREMQDKWEXKF-VIFPVBQESA-N 2 1 269.458 3.137 20 0 CGADMP Cc1cc2cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])oc2cc1C ZINC000423287542 236024881 /nfs/dbraw/zinc/02/48/81/236024881.db2.gz MWENSEHNKWSAAG-GFCCVEGCSA-N 2 1 260.381 3.438 20 0 CGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423339238 236043226 /nfs/dbraw/zinc/04/32/26/236043226.db2.gz WSOSIYGGMRDIKB-SNVBAGLBSA-N 2 1 281.469 3.281 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357884 236048869 /nfs/dbraw/zinc/04/88/69/236048869.db2.gz IUUFEKOOQFJDFC-WCQYABFASA-N 2 1 282.815 3.141 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000262037128 283290030 /nfs/dbraw/zinc/29/00/30/283290030.db2.gz XWCQCYQGLJYSOG-RDJZCZTQSA-N 2 1 287.451 3.171 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423497928 236087455 /nfs/dbraw/zinc/08/74/55/236087455.db2.gz AMGFGWNROVFZJB-MDASCCDHSA-N 2 1 298.405 3.102 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000424381511 236159193 /nfs/dbraw/zinc/15/91/93/236159193.db2.gz QXGSWGKRUFJLQF-QZTJIDSGSA-N 2 1 288.435 3.368 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCSc1ccccc1)CC[NH2+]CC2 ZINC000424297559 236143887 /nfs/dbraw/zinc/14/38/87/236143887.db2.gz SXRIHTIRLYKEMF-HNNXBMFYSA-N 2 1 290.476 3.243 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC000261561615 291122659 /nfs/dbraw/zinc/12/26/59/291122659.db2.gz GACKSLNGLNBOMX-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCCO2 ZINC000425944510 236275354 /nfs/dbraw/zinc/27/53/54/236275354.db2.gz NNPJRNDYCPJPIZ-PBHICJAKSA-N 2 1 290.451 3.304 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCOC1 ZINC000356831660 299288786 /nfs/dbraw/zinc/28/87/86/299288786.db2.gz DXMFGDHXGWDDMB-IKGGRYGDSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000274919477 192841425 /nfs/dbraw/zinc/84/14/25/192841425.db2.gz IUIOCXGRIMGROP-HNNXBMFYSA-N 2 1 277.799 3.357 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCc1cccc(Cl)c1 ZINC000297542114 200223201 /nfs/dbraw/zinc/22/32/01/200223201.db2.gz YSLYVVKIWRTWQC-CJNGLKHVSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCc1cccc(Cl)c1 ZINC000297542114 200223202 /nfs/dbraw/zinc/22/32/02/200223202.db2.gz YSLYVVKIWRTWQC-CJNGLKHVSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCc1cccc(Cl)c1 ZINC000297542114 200223203 /nfs/dbraw/zinc/22/32/03/200223203.db2.gz YSLYVVKIWRTWQC-CJNGLKHVSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCc1cccc(Cl)c1 ZINC000297542114 200223204 /nfs/dbraw/zinc/22/32/04/200223204.db2.gz YSLYVVKIWRTWQC-CJNGLKHVSA-N 2 1 280.843 3.155 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000341866042 216131969 /nfs/dbraw/zinc/13/19/69/216131969.db2.gz OZFYEILYTBPNRL-OAHLLOKOSA-N 2 1 278.827 3.403 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000341866042 216131971 /nfs/dbraw/zinc/13/19/71/216131971.db2.gz OZFYEILYTBPNRL-OAHLLOKOSA-N 2 1 278.827 3.403 20 0 CGADMP Cc1ccnc(NC[C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000439118112 238230655 /nfs/dbraw/zinc/23/06/55/238230655.db2.gz UYQOOCYREIHWLG-OAHLLOKOSA-N 2 1 261.413 3.312 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1 ZINC000180719084 189271845 /nfs/dbraw/zinc/27/18/45/189271845.db2.gz GYIXUKVYSFTEAX-GOEBONIOSA-N 2 1 276.424 3.220 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240435 189291727 /nfs/dbraw/zinc/29/17/27/189291727.db2.gz OOLXYAUBXAAGPR-BRWVUGGUSA-N 2 1 290.451 3.225 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000181290511 189293335 /nfs/dbraw/zinc/29/33/35/189293335.db2.gz DVJUVUBKPXFTLY-SJLPKXTDSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000181844443 189308236 /nfs/dbraw/zinc/30/82/36/189308236.db2.gz ZZRABSRIHXAALL-WBVHZDCISA-N 2 1 276.424 3.220 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850595 189337174 /nfs/dbraw/zinc/33/71/74/189337174.db2.gz LHHROMZZNUGNMK-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850595 189337175 /nfs/dbraw/zinc/33/71/75/189337175.db2.gz LHHROMZZNUGNMK-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850595 189337176 /nfs/dbraw/zinc/33/71/76/189337176.db2.gz LHHROMZZNUGNMK-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP Cc1cc[nH+]c(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000301619569 201098693 /nfs/dbraw/zinc/09/86/93/201098693.db2.gz CCVYKMLUVAGLSY-GASCZTMLSA-N 2 1 261.413 3.170 20 0 CGADMP Cc1cc[nH+]c(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000301619569 201098696 /nfs/dbraw/zinc/09/86/96/201098696.db2.gz CCVYKMLUVAGLSY-GASCZTMLSA-N 2 1 261.413 3.170 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000183092538 189346066 /nfs/dbraw/zinc/34/60/66/189346066.db2.gz UZNOZBLKDQWAGX-DOTOQJQBSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000183092538 189346067 /nfs/dbraw/zinc/34/60/67/189346067.db2.gz UZNOZBLKDQWAGX-DOTOQJQBSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000183092538 189346068 /nfs/dbraw/zinc/34/60/68/189346068.db2.gz UZNOZBLKDQWAGX-DOTOQJQBSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000183092538 189346069 /nfs/dbraw/zinc/34/60/69/189346069.db2.gz UZNOZBLKDQWAGX-DOTOQJQBSA-N 2 1 292.442 3.420 20 0 CGADMP Cc1nc(NCCCC[N@H+]2CCCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000301676449 201130942 /nfs/dbraw/zinc/13/09/42/201130942.db2.gz HSPZCGWMQRWGKY-CYBMUJFWSA-N 2 1 290.455 3.468 20 0 CGADMP Cc1nc(NCCCC[N@@H+]2CCCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000301676449 201130946 /nfs/dbraw/zinc/13/09/46/201130946.db2.gz HSPZCGWMQRWGKY-CYBMUJFWSA-N 2 1 290.455 3.468 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000449084207 239165546 /nfs/dbraw/zinc/16/55/46/239165546.db2.gz WWXVBQGHCIEHSK-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000449085018 239169232 /nfs/dbraw/zinc/16/92/32/239169232.db2.gz ZSGXVDZSABPWPH-HZPDHXFCSA-N 2 1 278.440 3.455 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449094633 239174525 /nfs/dbraw/zinc/17/45/25/239174525.db2.gz SQDWKTYXLKSTQN-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449094633 239174530 /nfs/dbraw/zinc/17/45/30/239174530.db2.gz SQDWKTYXLKSTQN-JKSUJKDBSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119737436 370704419 /nfs/dbraw/zinc/70/44/19/370704419.db2.gz QFWBSMNLXJWQBY-CJNGLKHVSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1CC(C)C ZINC000120138657 370741245 /nfs/dbraw/zinc/74/12/45/370741245.db2.gz DNTFWARZTOKMDL-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1CC(C)C ZINC000120138657 370741252 /nfs/dbraw/zinc/74/12/52/370741252.db2.gz DNTFWARZTOKMDL-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc2cc(Cl)ccc2o1 ZINC000335593412 212306166 /nfs/dbraw/zinc/30/61/66/212306166.db2.gz AGLNPJLIKWNDQJ-JTQLQIEISA-N 2 1 278.783 3.489 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000275648148 193095882 /nfs/dbraw/zinc/09/58/82/193095882.db2.gz CHSPEHIIEFURMG-QGPMSJSTSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000275648148 193095884 /nfs/dbraw/zinc/09/58/84/193095884.db2.gz CHSPEHIIEFURMG-QGPMSJSTSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000275648148 193095886 /nfs/dbraw/zinc/09/58/86/193095886.db2.gz CHSPEHIIEFURMG-QGPMSJSTSA-N 2 1 290.426 3.345 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000275707393 193110370 /nfs/dbraw/zinc/11/03/70/193110370.db2.gz KKOFJZAHWXQPGU-XOKHGSTOSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000275707393 193110372 /nfs/dbraw/zinc/11/03/72/193110372.db2.gz KKOFJZAHWXQPGU-XOKHGSTOSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@]1(C[N@H+]2CCCC3(CCCCC3)C2)CC[NH2+]C1 ZINC000262107527 291380112 /nfs/dbraw/zinc/38/01/12/291380112.db2.gz WBKBZIOFIFCABS-HNNXBMFYSA-N 2 1 250.430 3.032 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000121445580 370861519 /nfs/dbraw/zinc/86/15/19/370861519.db2.gz LMHIZEJYWFKEBE-NEPJUHHUSA-N 2 1 292.814 3.227 20 0 CGADMP CCCOC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000459551494 242129303 /nfs/dbraw/zinc/12/93/03/242129303.db2.gz ONCFCWRYBRNBQC-UHFFFAOYSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000459373666 242094173 /nfs/dbraw/zinc/09/41/73/242094173.db2.gz LEUFFJSFYZCAMC-KBXCAEBGSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000459373666 242094175 /nfs/dbraw/zinc/09/41/75/242094175.db2.gz LEUFFJSFYZCAMC-KBXCAEBGSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)CC[NH+]1C ZINC000459373666 242094180 /nfs/dbraw/zinc/09/41/80/242094180.db2.gz LEUFFJSFYZCAMC-KBXCAEBGSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)CC[NH+]1C ZINC000459373666 242094183 /nfs/dbraw/zinc/09/41/83/242094183.db2.gz LEUFFJSFYZCAMC-KBXCAEBGSA-N 2 1 272.436 3.479 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000459726984 242194163 /nfs/dbraw/zinc/19/41/63/242194163.db2.gz GVNJMHDSLOGJEL-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000459733182 242195689 /nfs/dbraw/zinc/19/56/89/242195689.db2.gz NFHMTGZGLNYLLM-ICTCPBKTSA-N 2 1 276.399 3.160 20 0 CGADMP C[C@H](CCc1ccccc1F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459792510 242236523 /nfs/dbraw/zinc/23/65/23/242236523.db2.gz SEMCEJJPSLRIHS-HZPDHXFCSA-N 2 1 292.442 3.468 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000121607480 370878197 /nfs/dbraw/zinc/87/81/97/370878197.db2.gz RHWIOOWMIPITOB-OGHNNQOOSA-N 2 1 285.391 3.009 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275903046 193159334 /nfs/dbraw/zinc/15/93/34/193159334.db2.gz SMYFVZKUDHIUGE-MSOLQXFVSA-N 2 1 283.419 3.292 20 0 CGADMP CC[N@H+](CC[NH2+][C@@H](Cc1ccccc1)C1CC1)C(C)C ZINC000482098553 243216281 /nfs/dbraw/zinc/21/62/81/243216281.db2.gz TYPDXNIFKQBDHX-SFHVURJKSA-N 2 1 274.452 3.328 20 0 CGADMP CC[N@@H+](CC[NH2+][C@@H](Cc1ccccc1)C1CC1)C(C)C ZINC000482098553 243216287 /nfs/dbraw/zinc/21/62/87/243216287.db2.gz TYPDXNIFKQBDHX-SFHVURJKSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C/C=C\c1ccncc1 ZINC000486937081 243381480 /nfs/dbraw/zinc/38/14/80/243381480.db2.gz GRYZYSUMGXKVAE-QLBOMPFWSA-N 2 1 287.451 3.339 20 0 CGADMP C[N@@H+](CCC[NH2+]C/C=C\c1ccncc1)Cc1ccccc1 ZINC000486966285 243388667 /nfs/dbraw/zinc/38/86/67/243388667.db2.gz FUUYKBXWPVKITK-UITAMQMPSA-N 2 1 295.430 3.207 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000037140985 369067858 /nfs/dbraw/zinc/06/78/58/369067858.db2.gz FAHZUPPCIWBFFZ-LBPRGKRZSA-N 2 1 262.372 3.103 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140868 369068110 /nfs/dbraw/zinc/06/81/10/369068110.db2.gz ISHAGNKKKYFLQG-CQSZACIVSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000037740012 369102782 /nfs/dbraw/zinc/10/27/82/369102782.db2.gz CKQZBVIFBMKXRZ-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cccc(NC2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000037670555 369098988 /nfs/dbraw/zinc/09/89/88/369098988.db2.gz QVQQIQDFPWCCNE-UHFFFAOYSA-N 2 1 281.403 3.467 20 0 CGADMP COc1ccccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000037860289 369120928 /nfs/dbraw/zinc/12/09/28/369120928.db2.gz CSOIJCYMQJKVJL-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP COc1ccccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037860289 369120935 /nfs/dbraw/zinc/12/09/35/369120935.db2.gz CSOIJCYMQJKVJL-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075692 369171878 /nfs/dbraw/zinc/17/18/78/369171878.db2.gz URWPDKCRHUZWIF-PBHICJAKSA-N 2 1 258.409 3.069 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000040517530 369159716 /nfs/dbraw/zinc/15/97/16/369159716.db2.gz NFCBKPPBNHAFDK-LBPRGKRZSA-N 2 1 281.469 3.285 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000042858557 369235956 /nfs/dbraw/zinc/23/59/56/369235956.db2.gz DNPHTEBJROYAFR-LYYZXLFJSA-N 2 1 252.446 3.131 20 0 CGADMP C(=C/c1ccncc1)\C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000494970885 244339293 /nfs/dbraw/zinc/33/92/93/244339293.db2.gz IEGIJKPZVGCMIW-PXZIRBJMSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C/c1ccncc1)\C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000494970885 244339297 /nfs/dbraw/zinc/33/92/97/244339297.db2.gz IEGIJKPZVGCMIW-PXZIRBJMSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C/c1ccncc1)\C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000494970885 244339298 /nfs/dbraw/zinc/33/92/98/244339298.db2.gz IEGIJKPZVGCMIW-PXZIRBJMSA-N 2 1 297.446 3.044 20 0 CGADMP C(=C/c1ccncc1)\C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000494970885 244339300 /nfs/dbraw/zinc/33/93/00/244339300.db2.gz IEGIJKPZVGCMIW-PXZIRBJMSA-N 2 1 297.446 3.044 20 0 CGADMP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccccc1OC ZINC000049554029 369408737 /nfs/dbraw/zinc/40/87/37/369408737.db2.gz YFVHIKJMGFSNRB-HIFRSBDPSA-N 2 1 264.413 3.076 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000062018056 369615152 /nfs/dbraw/zinc/61/51/52/369615152.db2.gz XFOSNRLQPYKEDM-NSHDSACASA-N 2 1 254.805 3.318 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000062018056 369615156 /nfs/dbraw/zinc/61/51/56/369615156.db2.gz XFOSNRLQPYKEDM-NSHDSACASA-N 2 1 254.805 3.318 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000062018265 369615418 /nfs/dbraw/zinc/61/54/18/369615418.db2.gz FBDRLFCMKOEARW-LLVKDONJSA-N 2 1 254.805 3.318 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062077584 369618334 /nfs/dbraw/zinc/61/83/34/369618334.db2.gz WVSNEVSRQNPOCO-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP c1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000063221610 369645175 /nfs/dbraw/zinc/64/51/75/369645175.db2.gz RMXUDRNGZKRTFV-RDJZCZTQSA-N 2 1 258.409 3.213 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000067121829 369713158 /nfs/dbraw/zinc/71/31/58/369713158.db2.gz DXWXODKXLOBLHA-LBPRGKRZSA-N 2 1 275.371 3.065 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000070074101 369779606 /nfs/dbraw/zinc/77/96/06/369779606.db2.gz PESCGOBHOYBVJN-GFCCVEGCSA-N 2 1 286.341 3.266 20 0 CGADMP C[C@@H](CC[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000070169526 369786731 /nfs/dbraw/zinc/78/67/31/369786731.db2.gz SSWDRLJEQOZHKD-JKSUJKDBSA-N 2 1 260.425 3.241 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000070169453 369786834 /nfs/dbraw/zinc/78/68/34/369786834.db2.gz IPHUVCOLXYNARI-HNNXBMFYSA-N 2 1 268.404 3.401 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091284895 370074710 /nfs/dbraw/zinc/07/47/10/370074710.db2.gz RYPJUPXPSCTFRX-GOSISDBHSA-N 2 1 290.451 3.004 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000093089096 370108357 /nfs/dbraw/zinc/10/83/57/370108357.db2.gz DXCTYNHNPDKSRB-ONEGZZNKSA-N 2 1 276.399 3.113 20 0 CGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nccs2)c1 ZINC000093405301 370123273 /nfs/dbraw/zinc/12/32/73/370123273.db2.gz XQCLBAPHPPPDHS-CYBMUJFWSA-N 2 1 289.448 3.446 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nccs2)c1 ZINC000093405301 370123277 /nfs/dbraw/zinc/12/32/77/370123277.db2.gz XQCLBAPHPPPDHS-CYBMUJFWSA-N 2 1 289.448 3.446 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1F ZINC000093597512 370144414 /nfs/dbraw/zinc/14/44/14/370144414.db2.gz UFMHLLMMFRPNRN-INIZCTEOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1F ZINC000093597512 370144420 /nfs/dbraw/zinc/14/44/20/370144420.db2.gz UFMHLLMMFRPNRN-INIZCTEOSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597675 370144913 /nfs/dbraw/zinc/14/49/13/370144913.db2.gz XLWJWGRKBYDATR-HNNXBMFYSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597675 370144918 /nfs/dbraw/zinc/14/49/18/370144918.db2.gz XLWJWGRKBYDATR-HNNXBMFYSA-N 2 1 276.399 3.052 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCCC2)[C@H]2CCC[C@@H]21 ZINC000513684042 245089306 /nfs/dbraw/zinc/08/93/06/245089306.db2.gz OHGFMUZFYNUOOC-IKGGRYGDSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000129578657 370993555 /nfs/dbraw/zinc/99/35/55/370993555.db2.gz OPGYLELBNDOWBX-HUBLWGQQSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000129578657 370993558 /nfs/dbraw/zinc/99/35/58/370993558.db2.gz OPGYLELBNDOWBX-HUBLWGQQSA-N 2 1 266.816 3.473 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000132081239 371150822 /nfs/dbraw/zinc/15/08/22/371150822.db2.gz WOHJKWDIXTUTQN-HUUCEWRRSA-N 2 1 258.390 3.291 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000537851127 376203872 /nfs/dbraw/zinc/20/38/72/376203872.db2.gz IKPGJEHVQWKSLA-IKGGRYGDSA-N 2 1 266.473 3.476 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000132832573 371205981 /nfs/dbraw/zinc/20/59/81/371205981.db2.gz IVUAUPMDEUCGSL-AWEZNQCLSA-N 2 1 264.413 3.052 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000132832573 371205986 /nfs/dbraw/zinc/20/59/86/371205986.db2.gz IVUAUPMDEUCGSL-AWEZNQCLSA-N 2 1 264.413 3.052 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000537852089 376203942 /nfs/dbraw/zinc/20/39/42/376203942.db2.gz UMLHTOPBCOOWFJ-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](Cc1ccsc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000133033858 371222126 /nfs/dbraw/zinc/22/21/26/371222126.db2.gz ZLBISEQAWUCSBN-ZBFHGGJFSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000133033858 371222129 /nfs/dbraw/zinc/22/21/29/371222129.db2.gz ZLBISEQAWUCSBN-ZBFHGGJFSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000133033858 371222133 /nfs/dbraw/zinc/22/21/33/371222133.db2.gz ZLBISEQAWUCSBN-ZBFHGGJFSA-N 2 1 280.481 3.485 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134919067 371375252 /nfs/dbraw/zinc/37/52/52/371375252.db2.gz VYGRODUMUMAURC-AEFFLSMTSA-N 2 1 270.420 3.135 20 0 CGADMP c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134919067 371375260 /nfs/dbraw/zinc/37/52/60/371375260.db2.gz VYGRODUMUMAURC-AEFFLSMTSA-N 2 1 270.420 3.135 20 0 CGADMP c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134919067 371375267 /nfs/dbraw/zinc/37/52/67/371375267.db2.gz VYGRODUMUMAURC-AEFFLSMTSA-N 2 1 270.420 3.135 20 0 CGADMP Cc1ccc(F)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000135872545 371451127 /nfs/dbraw/zinc/45/11/27/371451127.db2.gz GPKPJIZAQAEKSV-UHFFFAOYSA-N 2 1 264.388 3.100 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2occc2c1 ZINC000286532049 371516036 /nfs/dbraw/zinc/51/60/36/371516036.db2.gz NSJNJRLUASMOCD-ZDUSSCGKSA-N 2 1 283.375 3.364 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150058344 371530561 /nfs/dbraw/zinc/53/05/61/371530561.db2.gz FTZOHRMUJGKYQP-UHFFFAOYSA-N 2 1 270.367 3.446 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000151104927 371570363 /nfs/dbraw/zinc/57/03/63/371570363.db2.gz XYRUAIILNXITKM-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCF)CC[N@@H+]1Cc1ccccc1 ZINC000151559064 371613804 /nfs/dbraw/zinc/61/38/04/371613804.db2.gz DJAPIAHQQXCWMJ-NVXWUHKLSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCCF)CC[N@H+]1Cc1ccccc1 ZINC000151559064 371613809 /nfs/dbraw/zinc/61/38/09/371613809.db2.gz DJAPIAHQQXCWMJ-NVXWUHKLSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCCF)CC[NH+]1Cc1ccccc1 ZINC000151559064 371613814 /nfs/dbraw/zinc/61/38/14/371613814.db2.gz DJAPIAHQQXCWMJ-NVXWUHKLSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCF)CC[NH+]1Cc1ccccc1 ZINC000151559064 371613818 /nfs/dbraw/zinc/61/38/18/371613818.db2.gz DJAPIAHQQXCWMJ-NVXWUHKLSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCF)CC[N@@H+]1Cc1ccccc1 ZINC000151559208 371614234 /nfs/dbraw/zinc/61/42/34/371614234.db2.gz DJAPIAHQQXCWMJ-WBVHZDCISA-N 2 1 278.415 3.331 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCF)CC[N@H+]1Cc1ccccc1 ZINC000151559208 371614236 /nfs/dbraw/zinc/61/42/36/371614236.db2.gz DJAPIAHQQXCWMJ-WBVHZDCISA-N 2 1 278.415 3.331 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCF)CC[NH+]1Cc1ccccc1 ZINC000151559208 371614240 /nfs/dbraw/zinc/61/42/40/371614240.db2.gz DJAPIAHQQXCWMJ-WBVHZDCISA-N 2 1 278.415 3.331 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCF)CC[NH+]1Cc1ccccc1 ZINC000151559208 371614244 /nfs/dbraw/zinc/61/42/44/371614244.db2.gz DJAPIAHQQXCWMJ-WBVHZDCISA-N 2 1 278.415 3.331 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000421828997 371651512 /nfs/dbraw/zinc/65/15/12/371651512.db2.gz GJIKFEIGHHOZKL-TYNCELHUSA-N 2 1 298.833 3.482 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000421828997 371651516 /nfs/dbraw/zinc/65/15/16/371651516.db2.gz GJIKFEIGHHOZKL-TYNCELHUSA-N 2 1 298.833 3.482 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000422564336 371753137 /nfs/dbraw/zinc/75/31/37/371753137.db2.gz VRCWFJGTDYEUOG-ZACQAIPSSA-N 2 1 290.451 3.151 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccccc2)cc1 ZINC000422727478 371769934 /nfs/dbraw/zinc/76/99/34/371769934.db2.gz CPEJRTMUXZTYPH-HNAYVOBHSA-N 2 1 280.415 3.282 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422747335 371781317 /nfs/dbraw/zinc/78/13/17/371781317.db2.gz PWHMESXXKODHRR-HUUCEWRRSA-N 2 1 272.392 3.491 20 0 CGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422831388 371833231 /nfs/dbraw/zinc/83/32/31/371833231.db2.gz SOKRNBYUDBJEKA-IAGOWNOFSA-N 2 1 276.424 3.223 20 0 CGADMP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1C ZINC000422771146 371795394 /nfs/dbraw/zinc/79/53/94/371795394.db2.gz XUDQHTXBINPZOL-IAGOWNOFSA-N 2 1 282.387 3.238 20 0 CGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422782023 371804418 /nfs/dbraw/zinc/80/44/18/371804418.db2.gz MLRIKSRIHVCZFC-HZMBPMFUSA-N 2 1 270.779 3.086 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1(CC)CC ZINC000422836933 371835302 /nfs/dbraw/zinc/83/53/02/371835302.db2.gz LABBUWUJOGCYQQ-VBNZEHGJSA-N 2 1 291.439 3.129 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867345 371844588 /nfs/dbraw/zinc/84/45/88/371844588.db2.gz RYIAMIOMVKVFOV-ZWKOTPCHSA-N 2 1 282.387 3.448 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000422888960 371855114 /nfs/dbraw/zinc/85/51/14/371855114.db2.gz FAXBQYFAGWFIIU-CJNGLKHVSA-N 2 1 274.433 3.105 20 0 CGADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422900584 371860929 /nfs/dbraw/zinc/86/09/29/371860929.db2.gz JRXQXYSIYUKTRQ-BGTYHANMSA-N 2 1 288.435 3.027 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CCCC3)CC[NH2+]2)cc1 ZINC000422899056 371861023 /nfs/dbraw/zinc/86/10/23/371861023.db2.gz NMBXSKPETVGZJP-IRXDYDNUSA-N 2 1 258.409 3.260 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1Cl ZINC000422948097 371886044 /nfs/dbraw/zinc/88/60/44/371886044.db2.gz ZQYWIZABIRQJQT-KGLIPLIRSA-N 2 1 282.815 3.098 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422847655 371839287 /nfs/dbraw/zinc/83/92/87/371839287.db2.gz IPPSEKRLNGZHMY-ROUUACIJSA-N 2 1 288.435 3.368 20 0 CGADMP C1=C(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000423053033 371935773 /nfs/dbraw/zinc/93/57/73/371935773.db2.gz RVGLFCMRJVTZFE-KSZLIROESA-N 2 1 292.467 3.014 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)s1 ZINC000422947744 371887361 /nfs/dbraw/zinc/88/73/61/371887361.db2.gz YSSZGCHJVMVJME-RISCZKNCSA-N 2 1 294.851 3.450 20 0 CGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000422949507 371889218 /nfs/dbraw/zinc/88/92/18/371889218.db2.gz VKCGGICILLFHJA-CYBMUJFWSA-N 2 1 299.393 3.328 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCNc2cccc(F)c2)c2ccccc21 ZINC000423031956 371923966 /nfs/dbraw/zinc/92/39/66/371923966.db2.gz LUUQJSNVQMOMNK-ZWKOTPCHSA-N 2 1 299.393 3.362 20 0 CGADMP Cn1c2ccc(N[C@@H]3CCC[C@H]3[NH3+])cc2[nH+]c1C(C)(C)C ZINC000423037121 371928390 /nfs/dbraw/zinc/92/83/90/371928390.db2.gz BCHHWYQQZYJAJA-CHWSQXEVSA-N 2 1 286.423 3.163 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290342331 371968005 /nfs/dbraw/zinc/96/80/05/371968005.db2.gz FMBJLYPOAMQSKK-WBVHZDCISA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290342331 371968014 /nfs/dbraw/zinc/96/80/14/371968014.db2.gz FMBJLYPOAMQSKK-WBVHZDCISA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290342331 371968016 /nfs/dbraw/zinc/96/80/16/371968016.db2.gz FMBJLYPOAMQSKK-WBVHZDCISA-N 2 1 290.476 3.325 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCC[NH2+]1 ZINC000423129694 371982218 /nfs/dbraw/zinc/98/22/18/371982218.db2.gz XQSYHFFRULWMHC-ZJPYXAASSA-N 2 1 288.435 3.027 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290409224 371984142 /nfs/dbraw/zinc/98/41/42/371984142.db2.gz JXNKEWUUWBICGM-SOLBZPMBSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290409224 371984149 /nfs/dbraw/zinc/98/41/49/371984149.db2.gz JXNKEWUUWBICGM-SOLBZPMBSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000290409224 371984155 /nfs/dbraw/zinc/98/41/55/371984155.db2.gz JXNKEWUUWBICGM-SOLBZPMBSA-N 2 1 274.452 3.137 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290409224 371984161 /nfs/dbraw/zinc/98/41/61/371984161.db2.gz JXNKEWUUWBICGM-SOLBZPMBSA-N 2 1 274.452 3.137 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000423171819 372002696 /nfs/dbraw/zinc/00/26/96/372002696.db2.gz QBZGZOQPNDNWHL-KSSFIOAISA-N 2 1 268.404 3.378 20 0 CGADMP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccc(F)cc2)s1 ZINC000423193724 372018711 /nfs/dbraw/zinc/01/87/11/372018711.db2.gz WATARCMHOMSMAY-JTQLQIEISA-N 2 1 264.369 3.164 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cccc(F)c2C1 ZINC000157974123 372045258 /nfs/dbraw/zinc/04/52/58/372045258.db2.gz IAEQFHIOWVUBAO-UHFFFAOYSA-N 2 1 287.382 3.169 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cccc(F)c2C1 ZINC000157974123 372045260 /nfs/dbraw/zinc/04/52/60/372045260.db2.gz IAEQFHIOWVUBAO-UHFFFAOYSA-N 2 1 287.382 3.169 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)CCCS2 ZINC000423282726 372048392 /nfs/dbraw/zinc/04/83/92/372048392.db2.gz WDCKPTFOOFCAQI-GJZGRUSLSA-N 2 1 294.464 3.195 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CCC1 ZINC000423339020 372054239 /nfs/dbraw/zinc/05/42/39/372054239.db2.gz WGISDGUPAFHGBW-LBPRGKRZSA-N 2 1 285.218 3.452 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccccn1 ZINC000158107700 372054439 /nfs/dbraw/zinc/05/44/39/372054439.db2.gz XVERGWHDZGBBJM-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000158107700 372054446 /nfs/dbraw/zinc/05/44/46/372054446.db2.gz XVERGWHDZGBBJM-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000158107700 372054451 /nfs/dbraw/zinc/05/44/51/372054451.db2.gz XVERGWHDZGBBJM-WBVHZDCISA-N 2 1 275.440 3.100 20 0 CGADMP CCC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccnc1 ZINC000423175059 372003864 /nfs/dbraw/zinc/00/38/64/372003864.db2.gz CSBFBUCSPSUSML-OAHLLOKOSA-N 2 1 261.413 3.174 20 0 CGADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423181115 372008564 /nfs/dbraw/zinc/00/85/64/372008564.db2.gz FNNIAGFMGJRZDI-ULQDDVLXSA-N 2 1 258.409 3.054 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183710 372011430 /nfs/dbraw/zinc/01/14/30/372011430.db2.gz GRISMMMFJYOWFP-AWEZNQCLSA-N 2 1 289.448 3.282 20 0 CGADMP Cc1cc(NCc2cc(C)[nH+]c(N3CCCC3)c2)cc[nH+]1 ZINC000291100013 372115432 /nfs/dbraw/zinc/11/54/32/372115432.db2.gz KLHPSKLJDOUVSC-UHFFFAOYSA-N 2 1 282.391 3.306 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000423501433 372071256 /nfs/dbraw/zinc/07/12/56/372071256.db2.gz DMLJQCCWOBCXBW-BXUZGUMPSA-N 2 1 266.454 3.479 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425363498 372122725 /nfs/dbraw/zinc/12/27/25/372122725.db2.gz WLAZWCDJQGFCTR-LQKXBSAESA-N 2 1 282.497 3.123 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002712 372301094 /nfs/dbraw/zinc/30/10/94/372301094.db2.gz VNXQHZLLPILHLH-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002712 372301099 /nfs/dbraw/zinc/30/10/99/372301099.db2.gz VNXQHZLLPILHLH-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002712 372301105 /nfs/dbraw/zinc/30/11/05/372301105.db2.gz VNXQHZLLPILHLH-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002712 372301109 /nfs/dbraw/zinc/30/11/09/372301109.db2.gz VNXQHZLLPILHLH-IRXDYDNUSA-N 2 1 290.838 3.355 20 0 CGADMP COc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000293421586 372380447 /nfs/dbraw/zinc/38/04/47/372380447.db2.gz ALBYQWIJJOSMAU-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000293421586 372380451 /nfs/dbraw/zinc/38/04/51/372380451.db2.gz ALBYQWIJJOSMAU-AWEZNQCLSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1[NH3+] ZINC000430921344 372405627 /nfs/dbraw/zinc/40/56/27/372405627.db2.gz XTYBHZBHYSTQQD-WMLDXEAASA-N 2 1 297.402 3.043 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@H]1[NH3+] ZINC000430921344 372405633 /nfs/dbraw/zinc/40/56/33/372405633.db2.gz XTYBHZBHYSTQQD-WMLDXEAASA-N 2 1 297.402 3.043 20 0 CGADMP C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000430972505 372412519 /nfs/dbraw/zinc/41/25/19/372412519.db2.gz QCZJAKLAGJTUGU-KBXCAEBGSA-N 2 1 268.404 3.051 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000162801481 372423006 /nfs/dbraw/zinc/42/30/06/372423006.db2.gz FIRNJBRAFRVVQW-MRXNPFEDSA-N 2 1 272.396 3.137 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000162801481 372423014 /nfs/dbraw/zinc/42/30/14/372423014.db2.gz FIRNJBRAFRVVQW-MRXNPFEDSA-N 2 1 272.396 3.137 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000163222368 372455996 /nfs/dbraw/zinc/45/59/96/372455996.db2.gz OJEFQPPSRHQFSU-JKSUJKDBSA-N 2 1 274.452 3.284 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000163604018 372482878 /nfs/dbraw/zinc/48/28/78/372482878.db2.gz SSXCQMKPBNBIBT-TVFCKZIOSA-N 2 1 270.420 3.007 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163656519 372486969 /nfs/dbraw/zinc/48/69/69/372486969.db2.gz WTQASAOEVABJKU-MAUKXSAKSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc2ccccc2o1 ZINC000293827225 372493668 /nfs/dbraw/zinc/49/36/68/372493668.db2.gz WJAKRMCVAINXAD-QWHCGFSZSA-N 2 1 260.381 3.281 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c[nH]c21 ZINC000164403393 372515155 /nfs/dbraw/zinc/51/51/55/372515155.db2.gz MGMDNSJSPCFYEU-GDBMZVCRSA-N 2 1 285.435 3.091 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000165639006 372554713 /nfs/dbraw/zinc/55/47/13/372554713.db2.gz UOJCNZWJPBMNPD-ZFWWWQNUSA-N 2 1 263.429 3.386 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166166419 372565496 /nfs/dbraw/zinc/56/54/96/372565496.db2.gz JUAWRTYDPMMRQW-ZDUSSCGKSA-N 2 1 280.481 3.477 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166166419 372565499 /nfs/dbraw/zinc/56/54/99/372565499.db2.gz JUAWRTYDPMMRQW-ZDUSSCGKSA-N 2 1 280.481 3.477 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(OC(C)C)c1 ZINC000167694383 372601380 /nfs/dbraw/zinc/60/13/80/372601380.db2.gz VWTPXWHCOBHJTP-RDJZCZTQSA-N 2 1 290.451 3.212 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(OC(C)C)c1 ZINC000167694383 372601384 /nfs/dbraw/zinc/60/13/84/372601384.db2.gz VWTPXWHCOBHJTP-RDJZCZTQSA-N 2 1 290.451 3.212 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cs1 ZINC000294083539 372575446 /nfs/dbraw/zinc/57/54/46/372575446.db2.gz ALQSNPUXOGCQJC-GFCCVEGCSA-N 2 1 254.443 3.295 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000166537714 372576819 /nfs/dbraw/zinc/57/68/19/372576819.db2.gz AHYQRAFCPRPCOH-INIZCTEOSA-N 2 1 264.388 3.351 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000294176803 372604599 /nfs/dbraw/zinc/60/45/99/372604599.db2.gz JVDHPNXAGLRZFC-QWHCGFSZSA-N 2 1 264.438 3.191 20 0 CGADMP CC[N@@H+](C/C=C/c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435378900 372753680 /nfs/dbraw/zinc/75/36/80/372753680.db2.gz ACPYKQMQSGPJGU-BDUNBXCCSA-N 2 1 276.399 3.303 20 0 CGADMP c1ccc(C[N@H+](CC2CCCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435390846 372758025 /nfs/dbraw/zinc/75/80/25/372758025.db2.gz CFEDVIVVLBKGLU-GOSISDBHSA-N 2 1 287.451 3.216 20 0 CGADMP CCC(CC)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435392736 372758230 /nfs/dbraw/zinc/75/82/30/372758230.db2.gz HRCFMCJUIHOTMR-GOSISDBHSA-N 2 1 289.467 3.462 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435397025 372760506 /nfs/dbraw/zinc/76/05/06/372760506.db2.gz BUMMXZSHOUJYLA-CQSZACIVSA-N 2 1 270.376 3.117 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435447483 372765806 /nfs/dbraw/zinc/76/58/06/372765806.db2.gz PJLWSUYEHAYTCC-GOSISDBHSA-N 2 1 295.430 3.323 20 0 CGADMP C[N@@H+](CCc1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435609865 372784921 /nfs/dbraw/zinc/78/49/21/372784921.db2.gz CQUIQLJPAOQRNY-IBGZPJMESA-N 2 1 282.431 3.456 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)O[C@@H]1C ZINC000295507195 372807865 /nfs/dbraw/zinc/80/78/65/372807865.db2.gz UPHIOHCWTBHDQK-RKVPGOIHSA-N 2 1 290.451 3.182 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595029 372840868 /nfs/dbraw/zinc/84/08/68/372840868.db2.gz CJRTZTCBMJWVCQ-DYVFJYSZSA-N 2 1 294.389 3.096 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595029 372840876 /nfs/dbraw/zinc/84/08/76/372840876.db2.gz CJRTZTCBMJWVCQ-DYVFJYSZSA-N 2 1 294.389 3.096 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595029 372840881 /nfs/dbraw/zinc/84/08/81/372840881.db2.gz CJRTZTCBMJWVCQ-DYVFJYSZSA-N 2 1 294.389 3.096 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1cc(F)cc(F)c1 ZINC000295595029 372840886 /nfs/dbraw/zinc/84/08/86/372840886.db2.gz CJRTZTCBMJWVCQ-DYVFJYSZSA-N 2 1 294.389 3.096 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccoc1 ZINC000353445883 220087554 /nfs/dbraw/zinc/08/75/54/220087554.db2.gz JJHLGMYKNGZKLD-OAHLLOKOSA-N 2 1 252.402 3.298 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000438123112 372893804 /nfs/dbraw/zinc/89/38/04/372893804.db2.gz CIYBJPABXQKXDV-GDAAHCPNSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172350130 372947915 /nfs/dbraw/zinc/94/79/15/372947915.db2.gz ROAZWRVFYGEGDD-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172350130 372947920 /nfs/dbraw/zinc/94/79/20/372947920.db2.gz ROAZWRVFYGEGDD-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172350130 372947926 /nfs/dbraw/zinc/94/79/26/372947926.db2.gz ROAZWRVFYGEGDD-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000172851236 373048635 /nfs/dbraw/zinc/04/86/35/373048635.db2.gz RSYABDRHAJTAMU-OLZOCXBDSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2c(F)cccc2Cl)CC[N@H+]1C ZINC000172851236 373048639 /nfs/dbraw/zinc/04/86/39/373048639.db2.gz RSYABDRHAJTAMU-OLZOCXBDSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2c(F)cccc2Cl)CC[NH+]1C ZINC000172851236 373048643 /nfs/dbraw/zinc/04/86/43/373048643.db2.gz RSYABDRHAJTAMU-OLZOCXBDSA-N 2 1 298.833 3.436 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2c(F)cccc2Cl)CC[NH+]1C ZINC000172851236 373048648 /nfs/dbraw/zinc/04/86/48/373048648.db2.gz RSYABDRHAJTAMU-OLZOCXBDSA-N 2 1 298.833 3.436 20 0 CGADMP C[NH+](C)C1(C[NH2+]C2CCC(C(F)F)CC2)CCCC1 ZINC000442638708 373061785 /nfs/dbraw/zinc/06/17/85/373061785.db2.gz TYDINLLUJAENCH-UHFFFAOYSA-N 2 1 274.399 3.274 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172843053 373046191 /nfs/dbraw/zinc/04/61/91/373046191.db2.gz QYONCABRSFKXIL-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172843053 373046195 /nfs/dbraw/zinc/04/61/95/373046195.db2.gz QYONCABRSFKXIL-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172843053 373046200 /nfs/dbraw/zinc/04/62/00/373046200.db2.gz QYONCABRSFKXIL-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172843053 373046203 /nfs/dbraw/zinc/04/62/03/373046203.db2.gz QYONCABRSFKXIL-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1cccc2ccccc21 ZINC000442767002 373074969 /nfs/dbraw/zinc/07/49/69/373074969.db2.gz PNJMNZWMBGKIFE-JKSUJKDBSA-N 2 1 298.430 3.278 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(F)cn1 ZINC000353547078 220150387 /nfs/dbraw/zinc/15/03/87/220150387.db2.gz YEDGKTYWWYMZFX-INIZCTEOSA-N 2 1 281.419 3.238 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(F)cn1 ZINC000353547078 220150390 /nfs/dbraw/zinc/15/03/90/220150390.db2.gz YEDGKTYWWYMZFX-INIZCTEOSA-N 2 1 281.419 3.238 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000443652342 373161983 /nfs/dbraw/zinc/16/19/83/373161983.db2.gz GDIZRZREWPSDHY-OKZBNKHCSA-N 2 1 276.468 3.397 20 0 CGADMP CC[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000442920598 373126697 /nfs/dbraw/zinc/12/66/97/373126697.db2.gz HDMHGIPNJXKQEW-JKSUJKDBSA-N 2 1 260.425 3.241 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000442918072 373127903 /nfs/dbraw/zinc/12/79/03/373127903.db2.gz BWBPDUVLNJNUEW-GFCCVEGCSA-N 2 1 276.355 3.133 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CC=CCC1 ZINC000444609963 373211212 /nfs/dbraw/zinc/21/12/12/373211212.db2.gz OWFGLMNBKYSXJZ-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000444662923 373224199 /nfs/dbraw/zinc/22/41/99/373224199.db2.gz JQWSZQYZLSSYNT-LPHOPBHVSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000444662923 373224209 /nfs/dbraw/zinc/22/42/09/373224209.db2.gz JQWSZQYZLSSYNT-LPHOPBHVSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccccc1CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000444662923 373224213 /nfs/dbraw/zinc/22/42/13/373224213.db2.gz JQWSZQYZLSSYNT-LPHOPBHVSA-N 2 1 288.479 3.454 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448066357 373545860 /nfs/dbraw/zinc/54/58/60/373545860.db2.gz KPHCUPFCFUINQX-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448066357 373545868 /nfs/dbraw/zinc/54/58/68/373545868.db2.gz KPHCUPFCFUINQX-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@H+](C)Cc1cccc(CNc2[nH+]cnc3[nH]ccc32)c1 ZINC000299705915 373601613 /nfs/dbraw/zinc/60/16/13/373601613.db2.gz ZOPPIDWIGGNCJE-UHFFFAOYSA-N 2 1 295.390 3.022 20 0 CGADMP CC[N@@H+](C)Cc1cccc(CNc2[nH+]cnc3[nH]ccc32)c1 ZINC000299705915 373601625 /nfs/dbraw/zinc/60/16/25/373601625.db2.gz ZOPPIDWIGGNCJE-UHFFFAOYSA-N 2 1 295.390 3.022 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449133562 373663134 /nfs/dbraw/zinc/66/31/34/373663134.db2.gz YXKGXIRFXKKCBX-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449178669 373667635 /nfs/dbraw/zinc/66/76/35/373667635.db2.gz XXVBZHLNZGQEPP-YXMSTPNBSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449178669 373667640 /nfs/dbraw/zinc/66/76/40/373667640.db2.gz XXVBZHLNZGQEPP-YXMSTPNBSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449209056 373669553 /nfs/dbraw/zinc/66/95/53/373669553.db2.gz RQYYNDOWYLFVKQ-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449209056 373669565 /nfs/dbraw/zinc/66/95/65/373669565.db2.gz RQYYNDOWYLFVKQ-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CCCC[C@H]1C ZINC000449284449 373676172 /nfs/dbraw/zinc/67/61/72/373676172.db2.gz PEVXVAPOWLTTFK-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CCCC[C@H]1C ZINC000449284449 373676185 /nfs/dbraw/zinc/67/61/85/373676185.db2.gz PEVXVAPOWLTTFK-BRSBDYLESA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000449379770 373684892 /nfs/dbraw/zinc/68/48/92/373684892.db2.gz UOSRPZPTVGWTLQ-IHRRRGAJSA-N 2 1 274.399 3.132 20 0 CGADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2[nH+]1 ZINC000301348048 373754802 /nfs/dbraw/zinc/75/48/02/373754802.db2.gz KLALUSQUWQHIRQ-OAHLLOKOSA-N 2 1 283.419 3.321 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000178702780 373806397 /nfs/dbraw/zinc/80/63/97/373806397.db2.gz TVMGLSGSOKFOEZ-ZNUWXHPXSA-N 2 1 263.429 3.242 20 0 CGADMP CCO[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCCCC2 ZINC000178975177 373823281 /nfs/dbraw/zinc/82/32/81/373823281.db2.gz FVGOGWGACXXLFF-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000179536044 373882938 /nfs/dbraw/zinc/88/29/38/373882938.db2.gz KRIMKEXKXKGOEZ-QWHCGFSZSA-N 2 1 295.496 3.055 20 0 CGADMP C[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000449766741 373894151 /nfs/dbraw/zinc/89/41/51/373894151.db2.gz CAXLJMHFFUZMLE-CQSZACIVSA-N 2 1 278.415 3.393 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000179632486 373896566 /nfs/dbraw/zinc/89/65/66/373896566.db2.gz RYXPYIQKXMLRJL-NHZBNJEXSA-N 2 1 278.827 3.237 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000179632486 373896572 /nfs/dbraw/zinc/89/65/72/373896572.db2.gz RYXPYIQKXMLRJL-NHZBNJEXSA-N 2 1 278.827 3.237 20 0 CGADMP CC(C)COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179633339 373896700 /nfs/dbraw/zinc/89/67/00/373896700.db2.gz WLTNGBMBZOPVNH-KRWDZBQOSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179633339 373896706 /nfs/dbraw/zinc/89/67/06/373896706.db2.gz WLTNGBMBZOPVNH-KRWDZBQOSA-N 2 1 290.451 3.105 20 0 CGADMP CC[C@@H]1CN(c2cc[nH+]c(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000302395657 373861865 /nfs/dbraw/zinc/86/18/65/373861865.db2.gz GIZKNPYNRXHTGC-GOSISDBHSA-N 2 1 295.430 3.491 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000449742485 373873392 /nfs/dbraw/zinc/87/33/92/373873392.db2.gz ORCUAXSUZIEFTJ-ICSRJNTNSA-N 2 1 298.474 3.329 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCCCOc1ccccc1 ZINC000449784651 373915736 /nfs/dbraw/zinc/91/57/36/373915736.db2.gz XXIMMVNHSJYWHC-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]CCCCOc1ccccc1 ZINC000449784651 373915743 /nfs/dbraw/zinc/91/57/43/373915743.db2.gz XXIMMVNHSJYWHC-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[NH+](C)C ZINC000302704157 373934037 /nfs/dbraw/zinc/93/40/37/373934037.db2.gz WLYNBSDOQHTXGK-XUWVNRHRSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](c1cccc(O)c1)N(C)Cc1cccc2nccn21 ZINC000180178828 373974466 /nfs/dbraw/zinc/97/44/66/373974466.db2.gz FRYVAGDWKVZWCS-CYBMUJFWSA-N 2 1 281.359 3.233 20 0 CGADMP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353676275 220246844 /nfs/dbraw/zinc/24/68/44/220246844.db2.gz WKNJZWWJCZHDEF-ILEACXBISA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(F)(F)C2)C[C@@H]1C ZINC000450466229 374149212 /nfs/dbraw/zinc/14/92/12/374149212.db2.gz IGOBIJKIEPFSMC-IHRRRGAJSA-N 2 1 274.399 3.226 20 0 CGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973545 374203366 /nfs/dbraw/zinc/20/33/66/374203366.db2.gz PIXBVWSCSMYOLI-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973545 374203376 /nfs/dbraw/zinc/20/33/76/374203376.db2.gz PIXBVWSCSMYOLI-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973545 374203384 /nfs/dbraw/zinc/20/33/84/374203384.db2.gz PIXBVWSCSMYOLI-YTQUADARSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000310898472 374226849 /nfs/dbraw/zinc/22/68/49/374226849.db2.gz BEQVAPSKGWDNDW-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000310898450 374227589 /nfs/dbraw/zinc/22/75/89/374227589.db2.gz BEQVAPSKGWDNDW-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCC1(C)C)Cc1ccccc1 ZINC000309652651 374190498 /nfs/dbraw/zinc/19/04/98/374190498.db2.gz APCXUZIMEFPRDS-INIZCTEOSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000311879934 374259729 /nfs/dbraw/zinc/25/97/29/374259729.db2.gz MVUIWAPAKUOOJU-KBPBESRZSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000311879934 374259738 /nfs/dbraw/zinc/25/97/38/374259738.db2.gz MVUIWAPAKUOOJU-KBPBESRZSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc2ccccc2c1 ZINC000312171942 374272178 /nfs/dbraw/zinc/27/21/78/374272178.db2.gz XBLXINLAZNXDAQ-MRXNPFEDSA-N 2 1 271.408 3.040 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000312171942 374272186 /nfs/dbraw/zinc/27/21/86/374272186.db2.gz XBLXINLAZNXDAQ-MRXNPFEDSA-N 2 1 271.408 3.040 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC000311425249 374241553 /nfs/dbraw/zinc/24/15/53/374241553.db2.gz PGABOCQNLGPYMK-AQFXKWCLSA-N 2 1 266.473 3.380 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000183047297 374361861 /nfs/dbraw/zinc/36/18/61/374361861.db2.gz PNCOAPHDAWNNMC-GDBMZVCRSA-N 2 1 252.446 3.086 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453075868 374363454 /nfs/dbraw/zinc/36/34/54/374363454.db2.gz IRDDSWNSXGXCFE-QYZOEREBSA-N 2 1 284.447 3.429 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cs1 ZINC000328556231 374365803 /nfs/dbraw/zinc/36/58/03/374365803.db2.gz ZWEGDMQOKDLUHT-UHFFFAOYSA-N 2 1 266.454 3.268 20 0 CGADMP Cc1[nH+]ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Cl ZINC000322545716 374352649 /nfs/dbraw/zinc/35/26/49/374352649.db2.gz AGWOYVJPBSVMPX-YOGCLGLASA-N 2 1 265.788 3.081 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000453358000 374445936 /nfs/dbraw/zinc/44/59/36/374445936.db2.gz JPTNLYTUIQAJFX-CZUORRHYSA-N 2 1 292.854 3.487 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000453358000 374445945 /nfs/dbraw/zinc/44/59/45/374445945.db2.gz JPTNLYTUIQAJFX-CZUORRHYSA-N 2 1 292.854 3.487 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)[C@H]1OC ZINC000453361181 374450283 /nfs/dbraw/zinc/45/02/83/374450283.db2.gz QSKRHNYJWWHUGB-ZUBGHJNLSA-N 2 1 294.483 3.041 20 0 CGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1nccs1 ZINC000185113340 374590173 /nfs/dbraw/zinc/59/01/73/374590173.db2.gz IDBJMKTUJOECGG-CYBMUJFWSA-N 2 1 278.425 3.169 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000185526249 374681612 /nfs/dbraw/zinc/68/16/12/374681612.db2.gz FZLOGEAVAIWCJJ-HNNXBMFYSA-N 2 1 278.465 3.230 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c(C)s1 ZINC000334432187 374745331 /nfs/dbraw/zinc/74/53/31/374745331.db2.gz WRXPIBRYYYHLOW-ABAIWWIYSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)s1 ZINC000334432187 374745337 /nfs/dbraw/zinc/74/53/37/374745337.db2.gz WRXPIBRYYYHLOW-ABAIWWIYSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(C)s1 ZINC000334432187 374745361 /nfs/dbraw/zinc/74/53/61/374745361.db2.gz WRXPIBRYYYHLOW-ABAIWWIYSA-N 2 1 266.454 3.137 20 0 CGADMP Cc1cnc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185700776 374717699 /nfs/dbraw/zinc/71/76/99/374717699.db2.gz KRUVTTIJQYYLGZ-UONOGXRCSA-N 2 1 293.480 3.194 20 0 CGADMP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000462821025 374834938 /nfs/dbraw/zinc/83/49/38/374834938.db2.gz ZNJGUMCYEVSMKE-IPMKNSEASA-N 2 1 284.447 3.335 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000464876951 374914236 /nfs/dbraw/zinc/91/42/36/374914236.db2.gz HUQAELDRMRWJMQ-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000464876951 374914241 /nfs/dbraw/zinc/91/42/41/374914241.db2.gz HUQAELDRMRWJMQ-IXDOHACOSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Cc2ccccc2)C1 ZINC000472576017 375024959 /nfs/dbraw/zinc/02/49/59/375024959.db2.gz YLWZYKAHLLNURO-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000472576017 375024962 /nfs/dbraw/zinc/02/49/62/375024962.db2.gz YLWZYKAHLLNURO-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000472576017 375024969 /nfs/dbraw/zinc/02/49/69/375024969.db2.gz YLWZYKAHLLNURO-MOPGFXCFSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1ccc(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000472850817 375037350 /nfs/dbraw/zinc/03/73/50/375037350.db2.gz GOVBUEVHNHSMMH-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccc(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000472850817 375037357 /nfs/dbraw/zinc/03/73/57/375037357.db2.gz GOVBUEVHNHSMMH-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000472850817 375037364 /nfs/dbraw/zinc/03/73/64/375037364.db2.gz GOVBUEVHNHSMMH-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000472850817 375037375 /nfs/dbraw/zinc/03/73/75/375037375.db2.gz GOVBUEVHNHSMMH-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)C1CCCC1 ZINC000474927027 375128961 /nfs/dbraw/zinc/12/89/61/375128961.db2.gz QDFZIZNGSXGCSR-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@@H](C[N@H+]2CCCC23CC[NH+](C)CC3)C1 ZINC000475126016 375130477 /nfs/dbraw/zinc/13/04/77/375130477.db2.gz YXUUYAYHKKBSOP-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C12CCCC2 ZINC000479473719 375153283 /nfs/dbraw/zinc/15/32/83/375153283.db2.gz XJCPVUGTFLRTMO-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000480620085 375160748 /nfs/dbraw/zinc/16/07/48/375160748.db2.gz ZSPZHTOYZDWIQE-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000480620085 375160750 /nfs/dbraw/zinc/16/07/50/375160750.db2.gz ZSPZHTOYZDWIQE-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc2cccnc12 ZINC000335149095 375176488 /nfs/dbraw/zinc/17/64/88/375176488.db2.gz BIYFWKPSKKRDSN-YJBOKZPZSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc2cccnc12 ZINC000335149095 375176494 /nfs/dbraw/zinc/17/64/94/375176494.db2.gz BIYFWKPSKKRDSN-YJBOKZPZSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc2cccnc12 ZINC000335149095 375176498 /nfs/dbraw/zinc/17/64/98/375176498.db2.gz BIYFWKPSKKRDSN-YJBOKZPZSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc2cccnc12 ZINC000335149095 375176500 /nfs/dbraw/zinc/17/65/00/375176500.db2.gz BIYFWKPSKKRDSN-YJBOKZPZSA-N 2 1 297.446 3.315 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2CC)C1 ZINC000474631767 375123313 /nfs/dbraw/zinc/12/33/13/375123313.db2.gz OXWLODPXWZBCMT-CQSZACIVSA-N 2 1 278.415 3.210 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2CC)C1 ZINC000474631767 375123317 /nfs/dbraw/zinc/12/33/17/375123317.db2.gz OXWLODPXWZBCMT-CQSZACIVSA-N 2 1 278.415 3.210 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3CC3(C)C)CC2)[nH+]c1 ZINC000487307293 375224620 /nfs/dbraw/zinc/22/46/20/375224620.db2.gz YLOBITJOJFYIPA-ZBFHGGJFSA-N 2 1 287.451 3.383 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000488437989 375308825 /nfs/dbraw/zinc/30/88/25/375308825.db2.gz LREYCRLTXIVETQ-PMPSAXMXSA-N 2 1 284.513 3.371 20 0 CGADMP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000189037982 375314547 /nfs/dbraw/zinc/31/45/47/375314547.db2.gz SSTHBJKPHFHZLX-GBESFXJTSA-N 2 1 298.474 3.472 20 0 CGADMP C[N@@H+](CC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335945421 375561331 /nfs/dbraw/zinc/56/13/31/375561331.db2.gz OZRWCDBRIUMSCO-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335945421 375561335 /nfs/dbraw/zinc/56/13/35/375561335.db2.gz OZRWCDBRIUMSCO-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335945421 375561340 /nfs/dbraw/zinc/56/13/40/375561340.db2.gz OZRWCDBRIUMSCO-XYPWUTKMSA-N 2 1 250.430 3.124 20 0 CGADMP Fc1ccc(C2(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000335960526 375572924 /nfs/dbraw/zinc/57/29/24/375572924.db2.gz MKOVZPGIWUWYEG-HZPDHXFCSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000335960526 375572928 /nfs/dbraw/zinc/57/29/28/375572928.db2.gz MKOVZPGIWUWYEG-HZPDHXFCSA-N 2 1 274.383 3.031 20 0 CGADMP Fc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000335960526 375572931 /nfs/dbraw/zinc/57/29/31/375572931.db2.gz MKOVZPGIWUWYEG-HZPDHXFCSA-N 2 1 274.383 3.031 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507486773 375707029 /nfs/dbraw/zinc/70/70/29/375707029.db2.gz PEHKPTJKNQTOKU-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507486773 375707032 /nfs/dbraw/zinc/70/70/32/375707032.db2.gz PEHKPTJKNQTOKU-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192720678 375782011 /nfs/dbraw/zinc/78/20/11/375782011.db2.gz NWVCKQVOJBVKJY-CRAIPNDOSA-N 2 1 287.451 3.255 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000519484258 375840478 /nfs/dbraw/zinc/84/04/78/375840478.db2.gz CFTFJZRSTGUSQJ-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000519484258 375840484 /nfs/dbraw/zinc/84/04/84/375840484.db2.gz CFTFJZRSTGUSQJ-JKSUJKDBSA-N 2 1 292.467 3.336 20 0 CGADMP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000193308868 375857314 /nfs/dbraw/zinc/85/73/14/375857314.db2.gz BCCKMGZRQIUMLO-ALOPSCKCSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000336613162 375874908 /nfs/dbraw/zinc/87/49/08/375874908.db2.gz SNHSOMBYGOMVLO-ZFWWWQNUSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000336613162 375874910 /nfs/dbraw/zinc/87/49/10/375874910.db2.gz SNHSOMBYGOMVLO-ZFWWWQNUSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000336613162 375874915 /nfs/dbraw/zinc/87/49/15/375874915.db2.gz SNHSOMBYGOMVLO-ZFWWWQNUSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000336613162 375874919 /nfs/dbraw/zinc/87/49/19/375874919.db2.gz SNHSOMBYGOMVLO-ZFWWWQNUSA-N 2 1 293.480 3.183 20 0 CGADMP CC[N@H+]1CC[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000193494471 375887034 /nfs/dbraw/zinc/88/70/34/375887034.db2.gz RSSSSUAUFQNZEX-LPHOPBHVSA-N 2 1 295.430 3.102 20 0 CGADMP CSC1(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCC1 ZINC000336715161 375915399 /nfs/dbraw/zinc/91/53/99/375915399.db2.gz ORQJNGGDVPFJOL-UHFFFAOYSA-N 2 1 292.492 3.384 20 0 CGADMP COc1ccc(CC[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000336722097 375921322 /nfs/dbraw/zinc/92/13/22/375921322.db2.gz VMPFGZAVJKIUPC-UHFFFAOYSA-N 2 1 298.430 3.089 20 0 CGADMP COc1ccc(F)cc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000336847863 376009562 /nfs/dbraw/zinc/00/95/62/376009562.db2.gz GNGRGJCUGGAHJX-AWEZNQCLSA-N 2 1 294.414 3.046 20 0 CGADMP CC[C@@](C)(NCCCCn1cc[nH+]c1C)C(F)(F)F ZINC000535051621 376016759 /nfs/dbraw/zinc/01/67/59/376016759.db2.gz QYXHAXYRVJMWDA-GFCCVEGCSA-N 2 1 277.334 3.292 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000535765583 376056424 /nfs/dbraw/zinc/05/64/24/376056424.db2.gz MAAIHFATZKJVAY-CYBMUJFWSA-N 2 1 251.418 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)C(C)(C)C ZINC000535765583 376056428 /nfs/dbraw/zinc/05/64/28/376056428.db2.gz MAAIHFATZKJVAY-CYBMUJFWSA-N 2 1 251.418 3.338 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000195139479 376083259 /nfs/dbraw/zinc/08/32/59/376083259.db2.gz WPUNREOGJZGVLW-WBVHZDCISA-N 2 1 284.403 3.452 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000195139479 376083265 /nfs/dbraw/zinc/08/32/65/376083265.db2.gz WPUNREOGJZGVLW-WBVHZDCISA-N 2 1 284.403 3.452 20 0 CGADMP C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211951298 376136196 /nfs/dbraw/zinc/13/61/96/376136196.db2.gz CNBGJBHMGCRXJP-KSSFIOAISA-N 2 1 272.436 3.343 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCC2)[C@@H](C)C1 ZINC000536851850 376136549 /nfs/dbraw/zinc/13/65/49/376136549.db2.gz LAEVIALYMHWXGU-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212816537 376138783 /nfs/dbraw/zinc/13/87/83/376138783.db2.gz HXFVICJSEZLGPM-NEPJUHHUSA-N 2 1 284.806 3.472 20 0 CGADMP COCC[C@H](c1ccccc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337267420 376179006 /nfs/dbraw/zinc/17/90/06/376179006.db2.gz IVZIEIRRRISAIL-GOSISDBHSA-N 2 1 290.451 3.182 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(CC)s2)C1 ZINC000537619375 376183940 /nfs/dbraw/zinc/18/39/40/376183940.db2.gz DGAACRLVMUNOOF-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CC)s2)C1 ZINC000537619375 376183945 /nfs/dbraw/zinc/18/39/45/376183945.db2.gz DGAACRLVMUNOOF-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CC)s2)C1 ZINC000537619375 376183951 /nfs/dbraw/zinc/18/39/51/376183951.db2.gz DGAACRLVMUNOOF-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CC)s2)C1 ZINC000537619375 376183955 /nfs/dbraw/zinc/18/39/55/376183955.db2.gz DGAACRLVMUNOOF-CQSZACIVSA-N 2 1 280.481 3.474 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000536697941 376123942 /nfs/dbraw/zinc/12/39/42/376123942.db2.gz JUPUBWMCPPTIRM-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000536697941 376123948 /nfs/dbraw/zinc/12/39/48/376123948.db2.gz JUPUBWMCPPTIRM-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000536697941 376123955 /nfs/dbraw/zinc/12/39/55/376123955.db2.gz JUPUBWMCPPTIRM-SFHVURJKSA-N 2 1 286.463 3.467 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C1CCCC1 ZINC000337377357 376215687 /nfs/dbraw/zinc/21/56/87/376215687.db2.gz HHMJSTDUNDSGAZ-NUEKZKHPSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C1CCCC1 ZINC000337377357 376215696 /nfs/dbraw/zinc/21/56/96/376215696.db2.gz HHMJSTDUNDSGAZ-NUEKZKHPSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCC34CCC4)CC2)[nH+]c1 ZINC000337396012 376218990 /nfs/dbraw/zinc/21/89/90/376218990.db2.gz BUOHLIOAOQNBCU-MRXNPFEDSA-N 2 1 285.435 3.281 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000222022347 376228254 /nfs/dbraw/zinc/22/82/54/376228254.db2.gz APIYYRQPOMSGKQ-ZACQAIPSSA-N 2 1 290.838 3.024 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000222022347 376228260 /nfs/dbraw/zinc/22/82/60/376228260.db2.gz APIYYRQPOMSGKQ-ZACQAIPSSA-N 2 1 290.838 3.024 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc3ccccc23)CC[N@@H+]1C ZINC000538720099 376258152 /nfs/dbraw/zinc/25/81/52/376258152.db2.gz GTEHPRDKTGALML-GDBMZVCRSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc3ccccc23)CC[N@H+]1C ZINC000538720099 376258160 /nfs/dbraw/zinc/25/81/60/376258160.db2.gz GTEHPRDKTGALML-GDBMZVCRSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccnc3ccccc23)CC[NH+]1C ZINC000538720099 376258170 /nfs/dbraw/zinc/25/81/70/376258170.db2.gz GTEHPRDKTGALML-GDBMZVCRSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc3ccccc23)CC[NH+]1C ZINC000538720099 376258178 /nfs/dbraw/zinc/25/81/78/376258178.db2.gz GTEHPRDKTGALML-GDBMZVCRSA-N 2 1 283.419 3.149 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000539506931 376316115 /nfs/dbraw/zinc/31/61/15/376316115.db2.gz HWRDFKAYZGFCOO-GOSISDBHSA-N 2 1 290.426 3.244 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC000338305264 376325766 /nfs/dbraw/zinc/32/57/66/376325766.db2.gz LJCFVEQAFAHQJK-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCC(F)(F)C2)CC[N@H+]1C ZINC000338305264 376325770 /nfs/dbraw/zinc/32/57/70/376325770.db2.gz LJCFVEQAFAHQJK-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)CC[NH+]1C ZINC000338305264 376325775 /nfs/dbraw/zinc/32/57/75/376325775.db2.gz LJCFVEQAFAHQJK-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)CC[NH+]1C ZINC000338305264 376325777 /nfs/dbraw/zinc/32/57/77/376325777.db2.gz LJCFVEQAFAHQJK-RDBSUJKOSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000226330860 376353587 /nfs/dbraw/zinc/35/35/87/376353587.db2.gz HVDXEKLOAKMFRZ-OBJOEFQTSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000540194966 376366267 /nfs/dbraw/zinc/36/62/67/376366267.db2.gz MRPVLVDHWMNZBT-DNVCBOLYSA-N 2 1 298.430 3.148 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000226867364 376375369 /nfs/dbraw/zinc/37/53/69/376375369.db2.gz AFAVWZGDUKUUEB-FQXVJMBOSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000226867364 376375379 /nfs/dbraw/zinc/37/53/79/376375379.db2.gz AFAVWZGDUKUUEB-FQXVJMBOSA-N 2 1 272.436 3.313 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000540505199 376378050 /nfs/dbraw/zinc/37/80/50/376378050.db2.gz VPJLSWOEXRKUDY-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@@H](C)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000540505199 376378061 /nfs/dbraw/zinc/37/80/61/376378061.db2.gz VPJLSWOEXRKUDY-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[C@@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000540505199 376378070 /nfs/dbraw/zinc/37/80/70/376378070.db2.gz VPJLSWOEXRKUDY-ZBFHGGJFSA-N 2 1 252.446 3.086 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227056745 376379004 /nfs/dbraw/zinc/37/90/04/376379004.db2.gz GUFSNFWLXDFJEL-SUMWQHHRSA-N 2 1 284.403 3.018 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000228496869 376438683 /nfs/dbraw/zinc/43/86/83/376438683.db2.gz FLIAAZXVYYZVLV-OAHLLOKOSA-N 2 1 296.842 3.080 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000228496869 376438685 /nfs/dbraw/zinc/43/86/85/376438685.db2.gz FLIAAZXVYYZVLV-OAHLLOKOSA-N 2 1 296.842 3.080 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCCCCC2)C1 ZINC000541552944 376458464 /nfs/dbraw/zinc/45/84/64/376458464.db2.gz XQXAQOKIKJFTQG-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@@H]21 ZINC000230049539 376482155 /nfs/dbraw/zinc/48/21/55/376482155.db2.gz ONOULKJNOXWILT-JRPNMDOOSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@@H]21 ZINC000230049539 376482160 /nfs/dbraw/zinc/48/21/60/376482160.db2.gz ONOULKJNOXWILT-JRPNMDOOSA-N 2 1 282.790 3.038 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000542517488 376552159 /nfs/dbraw/zinc/55/21/59/376552159.db2.gz CTVBXCMPPCYASG-HOTGVXAUSA-N 2 1 262.441 3.185 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000542517488 376552166 /nfs/dbraw/zinc/55/21/66/376552166.db2.gz CTVBXCMPPCYASG-HOTGVXAUSA-N 2 1 262.441 3.185 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccc(F)cc2F)CCN1C ZINC000542702442 376569093 /nfs/dbraw/zinc/56/90/93/376569093.db2.gz GUNDTPGGOBRQFG-LVQRLBQTSA-N 2 1 294.389 3.393 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccc(F)cc2F)CCN1C ZINC000542702442 376569098 /nfs/dbraw/zinc/56/90/98/376569098.db2.gz GUNDTPGGOBRQFG-LVQRLBQTSA-N 2 1 294.389 3.393 20 0 CGADMP C[N@@H+](CC1CCC1)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000338939930 376586711 /nfs/dbraw/zinc/58/67/11/376586711.db2.gz HIMDQALGZLZLOR-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC1CCC1)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000338939930 376586717 /nfs/dbraw/zinc/58/67/17/376586717.db2.gz HIMDQALGZLZLOR-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC1CCC1)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000338939930 376586725 /nfs/dbraw/zinc/58/67/25/376586725.db2.gz HIMDQALGZLZLOR-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccc([C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000543253307 376624886 /nfs/dbraw/zinc/62/48/86/376624886.db2.gz OVVFXXMZLDPISI-QZTJIDSGSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000543253307 376624891 /nfs/dbraw/zinc/62/48/91/376624891.db2.gz OVVFXXMZLDPISI-QZTJIDSGSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000543253307 376624895 /nfs/dbraw/zinc/62/48/95/376624895.db2.gz OVVFXXMZLDPISI-QZTJIDSGSA-N 2 1 272.436 3.269 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000543394837 376634632 /nfs/dbraw/zinc/63/46/32/376634632.db2.gz OJLSGVJNDOHTKL-KBAYOESNSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000235735079 376650790 /nfs/dbraw/zinc/65/07/90/376650790.db2.gz VHROXPLDDZWQLK-OAHLLOKOSA-N 2 1 260.406 3.072 20 0 CGADMP C[C@@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC000544129490 376707762 /nfs/dbraw/zinc/70/77/62/376707762.db2.gz MHCRUFJURCQHES-INIZCTEOSA-N 2 1 272.436 3.350 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC(C)(C)C1CC1 ZINC000339564350 376762509 /nfs/dbraw/zinc/76/25/09/376762509.db2.gz UQDGWEDUXZGKHW-UHFFFAOYSA-N 2 1 261.413 3.064 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156128186 542126500 /nfs/dbraw/zinc/12/65/00/542126500.db2.gz CBZVJCKXIKEUJY-FPCVCCKLSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[C@@H](Nc2cccc3cc[nH+]cc32)CC[N@@H+]1C ZINC000156156500 542126998 /nfs/dbraw/zinc/12/69/98/542126998.db2.gz PUJVZZCSOUNJJU-JSGCOSHPSA-N 2 1 255.365 3.129 20 0 CGADMP C[C@H]1C[C@@H](Nc2cccc3cc[nH+]cc32)CC[N@H+]1C ZINC000156156500 542127002 /nfs/dbraw/zinc/12/70/02/542127002.db2.gz PUJVZZCSOUNJJU-JSGCOSHPSA-N 2 1 255.365 3.129 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556883022 376898655 /nfs/dbraw/zinc/89/86/55/376898655.db2.gz AIZKDGCCRHLLJT-GUDVDZBRSA-N 2 1 286.463 3.308 20 0 CGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000245506618 376834014 /nfs/dbraw/zinc/83/40/14/376834014.db2.gz OFRMAVAHKZWZLL-INMHGKMJSA-N 2 1 272.436 3.475 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000245713976 376887375 /nfs/dbraw/zinc/88/73/75/376887375.db2.gz GMVZQJFTSITUDC-JYJNAYRXSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000245713976 376887381 /nfs/dbraw/zinc/88/73/81/376887381.db2.gz GMVZQJFTSITUDC-JYJNAYRXSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000245713976 376887388 /nfs/dbraw/zinc/88/73/88/376887388.db2.gz GMVZQJFTSITUDC-JYJNAYRXSA-N 2 1 250.430 3.005 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000556873264 376895859 /nfs/dbraw/zinc/89/58/59/376895859.db2.gz WWDFJMPFCZZRKB-DRRXZNNHSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc2oc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2c1 ZINC000557796510 376956897 /nfs/dbraw/zinc/95/68/97/376956897.db2.gz PZPIYCUISCJTRQ-CZUORRHYSA-N 2 1 272.392 3.171 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246407005 377024397 /nfs/dbraw/zinc/02/43/97/377024397.db2.gz AWHXLLDYEJNJDU-RDJZCZTQSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246407005 377024410 /nfs/dbraw/zinc/02/44/10/377024410.db2.gz AWHXLLDYEJNJDU-RDJZCZTQSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246407005 377024417 /nfs/dbraw/zinc/02/44/17/377024417.db2.gz AWHXLLDYEJNJDU-RDJZCZTQSA-N 2 1 260.425 3.157 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246417525 377025693 /nfs/dbraw/zinc/02/56/93/377025693.db2.gz BWHBJRRJHXZJOW-HKUYNNGSSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246417525 377025698 /nfs/dbraw/zinc/02/56/98/377025698.db2.gz BWHBJRRJHXZJOW-HKUYNNGSSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246417525 377025702 /nfs/dbraw/zinc/02/57/02/377025702.db2.gz BWHBJRRJHXZJOW-HKUYNNGSSA-N 2 1 284.447 3.444 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000558419100 377007644 /nfs/dbraw/zinc/00/76/44/377007644.db2.gz HRXVRMYDYRVEKK-MJSXRHKHSA-N 2 1 276.399 3.159 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000246878805 377110518 /nfs/dbraw/zinc/11/05/18/377110518.db2.gz DWEPDTYESPDEGS-ZHALLVOQSA-N 2 1 288.479 3.473 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn[nH]c2)c1 ZINC000340522833 377119597 /nfs/dbraw/zinc/11/95/97/377119597.db2.gz ZHIGMCVXAXFLEL-CQSZACIVSA-N 2 1 286.423 3.101 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSCC(C)C)[C@@H](C)C1 ZINC000246721327 377077385 /nfs/dbraw/zinc/07/73/85/377077385.db2.gz OCRRTHANUFOYRP-JKSUJKDBSA-N 2 1 286.529 3.428 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSCC(C)C)[C@@H](C)C1 ZINC000246721327 377077390 /nfs/dbraw/zinc/07/73/90/377077390.db2.gz OCRRTHANUFOYRP-JKSUJKDBSA-N 2 1 286.529 3.428 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSCC(C)C)[C@@H](C)C1 ZINC000246721327 377077396 /nfs/dbraw/zinc/07/73/96/377077396.db2.gz OCRRTHANUFOYRP-JKSUJKDBSA-N 2 1 286.529 3.428 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246800857 377091358 /nfs/dbraw/zinc/09/13/58/377091358.db2.gz AAFJHBHQZXNPME-IRXDYDNUSA-N 2 1 290.451 3.226 20 0 CGADMP C1=C[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000559792662 377098481 /nfs/dbraw/zinc/09/84/81/377098481.db2.gz DXPYUMQOVATTKA-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000247288394 377190963 /nfs/dbraw/zinc/19/09/63/377190963.db2.gz GRYRPWCPJDBRMR-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP Cc1cccc(C)c1OCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247311060 377192585 /nfs/dbraw/zinc/19/25/85/377192585.db2.gz JVWDNMUYLKFQHM-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247311060 377192591 /nfs/dbraw/zinc/19/25/91/377192591.db2.gz JVWDNMUYLKFQHM-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247311060 377192598 /nfs/dbraw/zinc/19/25/98/377192598.db2.gz JVWDNMUYLKFQHM-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cccc(C)c1OCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247311060 377192604 /nfs/dbraw/zinc/19/26/04/377192604.db2.gz JVWDNMUYLKFQHM-IRXDYDNUSA-N 2 1 290.451 3.097 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247321881 377193751 /nfs/dbraw/zinc/19/37/51/377193751.db2.gz SNGRBTILUPDXEN-GXTWGEPZSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247321881 377193755 /nfs/dbraw/zinc/19/37/55/377193755.db2.gz SNGRBTILUPDXEN-GXTWGEPZSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000247321881 377193756 /nfs/dbraw/zinc/19/37/56/377193756.db2.gz SNGRBTILUPDXEN-GXTWGEPZSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000247321881 377193762 /nfs/dbraw/zinc/19/37/62/377193762.db2.gz SNGRBTILUPDXEN-GXTWGEPZSA-N 2 1 282.378 3.442 20 0 CGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000246984939 377130871 /nfs/dbraw/zinc/13/08/71/377130871.db2.gz JXUFPWPCDYNUOD-HUUCEWRRSA-N 2 1 292.471 3.034 20 0 CGADMP COC(C)(C)[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340536832 377132447 /nfs/dbraw/zinc/13/24/47/377132447.db2.gz SSVAKVNNWWNNIJ-CVEARBPZSA-N 2 1 292.467 3.300 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000247029917 377143018 /nfs/dbraw/zinc/14/30/18/377143018.db2.gz MEALFQPCYBOEHG-PMUMKWKESA-N 2 1 299.418 3.399 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000560525862 377164368 /nfs/dbraw/zinc/16/43/68/377164368.db2.gz BNHNYYZANUFLOZ-RCBQFDQVSA-N 2 1 296.817 3.442 20 0 CGADMP CC(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000247137804 377167893 /nfs/dbraw/zinc/16/78/93/377167893.db2.gz SDETUGKIFQRKBZ-HZPDHXFCSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000247137804 377167906 /nfs/dbraw/zinc/16/79/06/377167906.db2.gz SDETUGKIFQRKBZ-HZPDHXFCSA-N 2 1 290.451 3.041 20 0 CGADMP CCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247196130 377174148 /nfs/dbraw/zinc/17/41/48/377174148.db2.gz WAXIVDROTWTWQK-RDJZCZTQSA-N 2 1 290.451 3.438 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000247202490 377176054 /nfs/dbraw/zinc/17/60/54/377176054.db2.gz WLXAEYKGBRTJOA-LRDDRELGSA-N 2 1 278.827 3.259 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000247233856 377183296 /nfs/dbraw/zinc/18/32/96/377183296.db2.gz YLOKERBQQGDDAB-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000247233856 377183302 /nfs/dbraw/zinc/18/33/02/377183302.db2.gz YLOKERBQQGDDAB-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@H](C[NH+]1C[C@@H]2CCC[C@H]2C1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000247470211 377210012 /nfs/dbraw/zinc/21/00/12/377210012.db2.gz VEJXTSKZGCWXLA-JCECYMMASA-N 2 1 276.468 3.086 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c[nH]c21 ZINC000248066139 377262579 /nfs/dbraw/zinc/26/25/79/377262579.db2.gz MGMDNSJSPCFYEU-HOCLYGCPSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000248143486 377271199 /nfs/dbraw/zinc/27/11/99/377271199.db2.gz PWTMKRFQBFFEQS-LULLPPNCSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC[N@H+]1C ZINC000248143486 377271208 /nfs/dbraw/zinc/27/12/08/377271208.db2.gz PWTMKRFQBFFEQS-LULLPPNCSA-N 2 1 286.463 3.470 20 0 CGADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248186815 377276627 /nfs/dbraw/zinc/27/66/27/377276627.db2.gz XNKAWFSMXIPZJR-LESCRADOSA-N 2 1 288.435 3.172 20 0 CGADMP COc1cccc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248186815 377276631 /nfs/dbraw/zinc/27/66/31/377276631.db2.gz XNKAWFSMXIPZJR-LESCRADOSA-N 2 1 288.435 3.172 20 0 CGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCc2ccccc21 ZINC000562187008 377282122 /nfs/dbraw/zinc/28/21/22/377282122.db2.gz QRSGFZMCTMBFTH-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCc2ccccc21 ZINC000562187008 377282129 /nfs/dbraw/zinc/28/21/29/377282129.db2.gz QRSGFZMCTMBFTH-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCc2ccccc21 ZINC000562187008 377282135 /nfs/dbraw/zinc/28/21/35/377282135.db2.gz QRSGFZMCTMBFTH-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCc2ccccc21 ZINC000562187008 377282141 /nfs/dbraw/zinc/28/21/41/377282141.db2.gz QRSGFZMCTMBFTH-QAPCUYQASA-N 2 1 272.436 3.338 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000248612143 377364977 /nfs/dbraw/zinc/36/49/77/377364977.db2.gz XXMIPRVDUDFGRZ-HLLBOEOZSA-N 2 1 260.425 3.253 20 0 CGADMP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000248553309 377345606 /nfs/dbraw/zinc/34/56/06/377345606.db2.gz JNTMOIXGZPJSNB-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249111110 377465218 /nfs/dbraw/zinc/46/52/18/377465218.db2.gz QYKAGKKTNCOWIA-KBAYOESNSA-N 2 1 272.436 3.287 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)C1CCCC1 ZINC000313399533 249091399 /nfs/dbraw/zinc/09/13/99/249091399.db2.gz RVVPBHKSKTUCQS-INIZCTEOSA-N 2 1 252.446 3.419 20 0 CGADMP N[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000313902822 249094702 /nfs/dbraw/zinc/09/47/02/249094702.db2.gz PRVPUMBDYYJGGB-CWRNSKLLSA-N 2 1 294.389 3.239 20 0 CGADMP N[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000313902822 249094705 /nfs/dbraw/zinc/09/47/05/249094705.db2.gz PRVPUMBDYYJGGB-CWRNSKLLSA-N 2 1 294.389 3.239 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250098515 377550558 /nfs/dbraw/zinc/55/05/58/377550558.db2.gz DYCATMNNKBJIIA-IGCXYCKISA-N 2 1 274.383 3.029 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(C)c1OC(F)F ZINC000469865562 249161012 /nfs/dbraw/zinc/16/10/12/249161012.db2.gz VVYUSIPPZDMXNZ-TZMCWYRMSA-N 2 1 298.377 3.074 20 0 CGADMP Fc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250256175 377557359 /nfs/dbraw/zinc/55/73/59/377557359.db2.gz QIVKZTRLOJDDSY-STCOUPBVSA-N 2 1 288.410 3.288 20 0 CGADMP CC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470002416 249166142 /nfs/dbraw/zinc/16/61/42/249166142.db2.gz JEDSURLAQNCPKH-QTXGHNMQSA-N 2 1 272.436 3.395 20 0 CGADMP Fc1ccc2c(cc[nH+]c2NCC[C@H]2CCC[NH2+]C2)c1 ZINC000514603398 249182244 /nfs/dbraw/zinc/18/22/44/249182244.db2.gz LUOZQOATOVXNMQ-GFCCVEGCSA-N 2 1 273.355 3.176 20 0 CGADMP c1ncc(C[N@H+]2CCC23CCC3)cc1C[NH+]1CCC12CCC2 ZINC000514839903 249191482 /nfs/dbraw/zinc/19/14/82/249191482.db2.gz BOHNQPVPPWFRRI-UHFFFAOYSA-N 2 1 297.446 3.338 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251424119 377582525 /nfs/dbraw/zinc/58/25/25/377582525.db2.gz HVDXEKLOAKMFRZ-OUCADQQQSA-N 2 1 266.816 3.460 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000515666340 249218216 /nfs/dbraw/zinc/21/82/16/249218216.db2.gz ZZTWTNJSIPTZIA-KRWDZBQOSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000515666340 249218220 /nfs/dbraw/zinc/21/82/20/249218220.db2.gz ZZTWTNJSIPTZIA-KRWDZBQOSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000515666340 249218224 /nfs/dbraw/zinc/21/82/24/249218224.db2.gz ZZTWTNJSIPTZIA-KRWDZBQOSA-N 2 1 275.440 3.397 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000251792773 377597289 /nfs/dbraw/zinc/59/72/89/377597289.db2.gz WICNMZDMPFOGNP-XZJROXQQSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000251792773 377597297 /nfs/dbraw/zinc/59/72/97/377597297.db2.gz WICNMZDMPFOGNP-XZJROXQQSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000251769701 377598858 /nfs/dbraw/zinc/59/88/58/377598858.db2.gz DZOLVKUBGKPJSX-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000252141476 377615467 /nfs/dbraw/zinc/61/54/67/377615467.db2.gz NGSXPOGZNWYKSL-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000252169293 377617949 /nfs/dbraw/zinc/61/79/49/377617949.db2.gz QYFBBOKDQUPUAO-VGWMRTNUSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000252169293 377617958 /nfs/dbraw/zinc/61/79/58/377617958.db2.gz QYFBBOKDQUPUAO-VGWMRTNUSA-N 2 1 252.446 3.274 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000574235943 377637014 /nfs/dbraw/zinc/63/70/14/377637014.db2.gz PFHJASKONNSTGF-GJZGRUSLSA-N 2 1 266.429 3.311 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000574235943 377637016 /nfs/dbraw/zinc/63/70/16/377637016.db2.gz PFHJASKONNSTGF-GJZGRUSLSA-N 2 1 266.429 3.311 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H](C)C1 ZINC000574225137 377637043 /nfs/dbraw/zinc/63/70/43/377637043.db2.gz WBSUKELSBRRLMI-KGLIPLIRSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000252708555 377652563 /nfs/dbraw/zinc/65/25/63/377652563.db2.gz AKHCFVFSJCELSN-BMFZPTHFSA-N 2 1 288.435 3.219 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000252708555 377652570 /nfs/dbraw/zinc/65/25/70/377652570.db2.gz AKHCFVFSJCELSN-BMFZPTHFSA-N 2 1 288.435 3.219 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000252712677 377654639 /nfs/dbraw/zinc/65/46/39/377654639.db2.gz NBMKWJLTDUTXJW-DFBGVHRSSA-N 2 1 294.439 3.292 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000252712677 377654653 /nfs/dbraw/zinc/65/46/53/377654653.db2.gz NBMKWJLTDUTXJW-DFBGVHRSSA-N 2 1 294.439 3.292 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC000574365808 377654894 /nfs/dbraw/zinc/65/48/94/377654894.db2.gz HZLBLPRTGWOEKP-IXDOHACOSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1cscn1 ZINC000252789289 377664119 /nfs/dbraw/zinc/66/41/19/377664119.db2.gz YTSMVOYTTRNBOF-CHWSQXEVSA-N 2 1 267.442 3.058 20 0 CGADMP CCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252872982 377666476 /nfs/dbraw/zinc/66/64/76/377666476.db2.gz UKHWHEZEZJEBLL-RYQLBKOJSA-N 2 1 288.435 3.035 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252877340 377666729 /nfs/dbraw/zinc/66/67/29/377666729.db2.gz WRDRCQHNHBDGLN-DSPQJCBJSA-N 2 1 278.827 3.460 20 0 CGADMP CCC1CC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000342617501 377692229 /nfs/dbraw/zinc/69/22/29/377692229.db2.gz RVGFYJSYSBECJY-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP CCC1CC([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000342617501 377692238 /nfs/dbraw/zinc/69/22/38/377692238.db2.gz RVGFYJSYSBECJY-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000342701673 377742953 /nfs/dbraw/zinc/74/29/53/377742953.db2.gz FSKOPVVHZFCDAM-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000342701673 377742959 /nfs/dbraw/zinc/74/29/59/377742959.db2.gz FSKOPVVHZFCDAM-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000342701673 377742964 /nfs/dbraw/zinc/74/29/64/377742964.db2.gz FSKOPVVHZFCDAM-INIZCTEOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC000261574302 377821226 /nfs/dbraw/zinc/82/12/26/377821226.db2.gz WYJQVWFXOYHXAC-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261612054 377826477 /nfs/dbraw/zinc/82/64/77/377826477.db2.gz FCRHOWXWYIVOJK-QAPCUYQASA-N 2 1 280.415 3.364 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000261651881 377834354 /nfs/dbraw/zinc/83/43/54/377834354.db2.gz HKXKDVDLBVUWNJ-SFHVURJKSA-N 2 1 268.404 3.053 20 0 CGADMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000262045906 377882145 /nfs/dbraw/zinc/88/21/45/377882145.db2.gz PQSWGWIRORVEHV-WMLDXEAASA-N 2 1 276.424 3.078 20 0 CGADMP CC1CCC([N@@H+](C[C@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262043200 377882702 /nfs/dbraw/zinc/88/27/02/377882702.db2.gz PJCJDKBHPXRKSW-HIEASXQVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262134571 377888026 /nfs/dbraw/zinc/88/80/26/377888026.db2.gz YNNUPRHALFCUOM-CRAIPNDOSA-N 2 1 290.426 3.395 20 0 CGADMP C[N@@H+](Cc1ccc(OCC2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000261760709 377851439 /nfs/dbraw/zinc/85/14/39/377851439.db2.gz CXGPCIFWKKHDFS-QGZVFWFLSA-N 2 1 288.435 3.049 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261772154 377852152 /nfs/dbraw/zinc/85/21/52/377852152.db2.gz DSXOHPVGSFHHRW-ZIAGYGMSSA-N 2 1 280.843 3.375 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261772154 377852159 /nfs/dbraw/zinc/85/21/59/377852159.db2.gz DSXOHPVGSFHHRW-ZIAGYGMSSA-N 2 1 280.843 3.375 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CC1CC[NH2+]CC1)[C@H]2C ZINC000261829482 377859648 /nfs/dbraw/zinc/85/96/48/377859648.db2.gz IXTUTAXCOJCNRK-KBPBESRZSA-N 2 1 288.435 3.002 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]12 ZINC000261866985 377860546 /nfs/dbraw/zinc/86/05/46/377860546.db2.gz YMKSDGSCHZHKMP-RYQLBKOJSA-N 2 1 266.388 3.009 20 0 CGADMP COc1ccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000575411480 377906751 /nfs/dbraw/zinc/90/67/51/377906751.db2.gz OGOIVMCNIUDMFN-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC000575411480 377906754 /nfs/dbraw/zinc/90/67/54/377906754.db2.gz OGOIVMCNIUDMFN-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000575411480 377906759 /nfs/dbraw/zinc/90/67/59/377906759.db2.gz OGOIVMCNIUDMFN-CQSZACIVSA-N 2 1 294.414 3.044 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000578401703 378066911 /nfs/dbraw/zinc/06/69/11/378066911.db2.gz WMLZEPWEEZPCHR-NVXWUHKLSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000578401703 378066917 /nfs/dbraw/zinc/06/69/17/378066917.db2.gz WMLZEPWEEZPCHR-NVXWUHKLSA-N 2 1 272.436 3.239 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578533347 378078307 /nfs/dbraw/zinc/07/83/07/378078307.db2.gz AWMKNFGUDHVHPQ-BWPKMQGJSA-N 2 1 294.389 3.298 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000268824409 378122766 /nfs/dbraw/zinc/12/27/66/378122766.db2.gz AUROLESZPRTKDQ-YVEFUNNKSA-N 2 1 287.382 3.244 20 0 CGADMP CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268838845 378126822 /nfs/dbraw/zinc/12/68/22/378126822.db2.gz MECKSTKETZNVRC-KBPBESRZSA-N 2 1 287.407 3.256 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000268834097 378126887 /nfs/dbraw/zinc/12/68/87/378126887.db2.gz RNZVNOLRTGHEQW-LSDHHAIUSA-N 2 1 278.440 3.040 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000579095723 378129504 /nfs/dbraw/zinc/12/95/04/378129504.db2.gz IJYGRSSTRZVVCU-WNRNVDISSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000579095723 378129508 /nfs/dbraw/zinc/12/95/08/378129508.db2.gz IJYGRSSTRZVVCU-WNRNVDISSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)CC[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000343799024 378095576 /nfs/dbraw/zinc/09/55/76/378095576.db2.gz QGZSNTCSESIRLQ-OAHLLOKOSA-N 2 1 265.445 3.403 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000268932996 378156546 /nfs/dbraw/zinc/15/65/46/378156546.db2.gz SXUZLBHSJJEPLH-DYVFJYSZSA-N 2 1 299.418 3.113 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1OC ZINC000344098285 378158632 /nfs/dbraw/zinc/15/86/32/378158632.db2.gz JCLZAZZWNSLYLY-GVDBMIGSSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000184507913 542235728 /nfs/dbraw/zinc/23/57/28/542235728.db2.gz AIZKWHOEHOIDJK-OLZOCXBDSA-N 2 1 281.469 3.367 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000582030431 378280649 /nfs/dbraw/zinc/28/06/49/378280649.db2.gz RFZKAAVQNXKNOD-RDJZCZTQSA-N 2 1 260.425 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000582030431 378280657 /nfs/dbraw/zinc/28/06/57/378280657.db2.gz RFZKAAVQNXKNOD-RDJZCZTQSA-N 2 1 260.425 3.254 20 0 CGADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000580097495 378224857 /nfs/dbraw/zinc/22/48/57/378224857.db2.gz PHYPCSYYJVXNSY-ARFHVFGLSA-N 2 1 296.499 3.026 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000270633294 378379560 /nfs/dbraw/zinc/37/95/60/378379560.db2.gz HGTJAKPPBIONQC-CYBMUJFWSA-N 2 1 291.826 3.408 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000270633294 378379562 /nfs/dbraw/zinc/37/95/62/378379562.db2.gz HGTJAKPPBIONQC-CYBMUJFWSA-N 2 1 291.826 3.408 20 0 CGADMP Cc1nccn1CC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000270660603 378384462 /nfs/dbraw/zinc/38/44/62/378384462.db2.gz OSLKREKXWAKONW-AWEZNQCLSA-N 2 1 257.381 3.193 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000270660603 378384464 /nfs/dbraw/zinc/38/44/64/378384464.db2.gz OSLKREKXWAKONW-AWEZNQCLSA-N 2 1 257.381 3.193 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000270660603 378384465 /nfs/dbraw/zinc/38/44/65/378384465.db2.gz OSLKREKXWAKONW-AWEZNQCLSA-N 2 1 257.381 3.193 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000346330590 378547538 /nfs/dbraw/zinc/54/75/38/378547538.db2.gz NOVVTVWQUGBBCQ-AWEZNQCLSA-N 2 1 298.434 3.444 20 0 CGADMP C[C@H]([NH2+]Cc1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272241273 378592367 /nfs/dbraw/zinc/59/23/67/378592367.db2.gz WOVBHQFRFZPWBC-QFBILLFUSA-N 2 1 295.430 3.082 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000566229889 322110332 /nfs/dbraw/zinc/11/03/32/322110332.db2.gz RIWHLXUTNBRFGW-DTWKUNHWSA-N 2 1 278.293 3.060 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000346692526 378677092 /nfs/dbraw/zinc/67/70/92/378677092.db2.gz ZRQVTEWKBKFAKY-AWEZNQCLSA-N 2 1 286.366 3.093 20 0 CGADMP C(C1CCSCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104297 378700205 /nfs/dbraw/zinc/70/02/05/378700205.db2.gz GIMWTRFJKZAOLO-MRXNPFEDSA-N 2 1 282.497 3.080 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346994610 378703714 /nfs/dbraw/zinc/70/37/14/378703714.db2.gz UPJAPCDNUCGRGC-CKEIUWERSA-N 2 1 276.399 3.208 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000272802382 378706147 /nfs/dbraw/zinc/70/61/47/378706147.db2.gz BPPILFUDIBTFCP-CQSZACIVSA-N 2 1 290.476 3.191 20 0 CGADMP C[C@H]([NH2+]CC1(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348049793 378766089 /nfs/dbraw/zinc/76/60/89/378766089.db2.gz YFWNBRVMDWCRJA-DOTOQJQBSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638368540 378780512 /nfs/dbraw/zinc/78/05/12/378780512.db2.gz AHIYSXXASCDZGM-XGUBFFRZSA-N 2 1 288.426 3.378 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000348087924 378785138 /nfs/dbraw/zinc/78/51/38/378785138.db2.gz XCMZEHOKQWTDJG-KKUMJFAQSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@H](C)[C@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000348087924 378785140 /nfs/dbraw/zinc/78/51/40/378785140.db2.gz XCMZEHOKQWTDJG-KKUMJFAQSA-N 2 1 252.446 3.370 20 0 CGADMP CC[C@H](C)[C@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000348087924 378785143 /nfs/dbraw/zinc/78/51/43/378785143.db2.gz XCMZEHOKQWTDJG-KKUMJFAQSA-N 2 1 252.446 3.370 20 0 CGADMP Clc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346827986 218026533 /nfs/dbraw/zinc/02/65/33/218026533.db2.gz NDKKALDZFPANLB-CJNGLKHVSA-N 2 1 278.827 3.477 20 0 CGADMP C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348174053 378822220 /nfs/dbraw/zinc/82/22/20/378822220.db2.gz OMLVXDRTOVBBHV-AYUWKEHRSA-N 2 1 299.418 3.158 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)C[C@H]21 ZINC000346837518 218030843 /nfs/dbraw/zinc/03/08/43/218030843.db2.gz WEJRWLBRCKKFED-HFBAOOFYSA-N 2 1 288.366 3.131 20 0 CGADMP COc1cccc(C)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000638675278 378869299 /nfs/dbraw/zinc/86/92/99/378869299.db2.gz SLMAXEMAZNTRHU-UHFFFAOYSA-N 2 1 287.407 3.079 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638566911 378837853 /nfs/dbraw/zinc/83/78/53/378837853.db2.gz RPGYABNQZBFGEE-INIZCTEOSA-N 2 1 299.462 3.388 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348265829 378873674 /nfs/dbraw/zinc/87/36/74/378873674.db2.gz XDHGVXNBMCDFNB-ROUUACIJSA-N 2 1 283.419 3.365 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000278509807 194019589 /nfs/dbraw/zinc/01/95/89/194019589.db2.gz PMLRKTMVGOAHEJ-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000278509807 194019590 /nfs/dbraw/zinc/01/95/90/194019590.db2.gz PMLRKTMVGOAHEJ-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000278509807 194019592 /nfs/dbraw/zinc/01/95/92/194019592.db2.gz PMLRKTMVGOAHEJ-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000278509807 194019593 /nfs/dbraw/zinc/01/95/93/194019593.db2.gz PMLRKTMVGOAHEJ-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000347037784 218099995 /nfs/dbraw/zinc/09/99/95/218099995.db2.gz HSXSVHWPBBTGSM-KSSFIOAISA-N 2 1 288.435 3.177 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000347046523 218103625 /nfs/dbraw/zinc/10/36/25/218103625.db2.gz ONQWAYKHBZHTBZ-QGZVFWFLSA-N 2 1 295.430 3.180 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000276717355 378984787 /nfs/dbraw/zinc/98/47/87/378984787.db2.gz DTFPLMXKGCESMO-CXAGYDPISA-N 2 1 299.418 3.200 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000300131751 296285556 /nfs/dbraw/zinc/28/55/56/296285556.db2.gz FSDGKRUKJQJXBV-QPSCCSFWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000300131751 296285557 /nfs/dbraw/zinc/28/55/57/296285557.db2.gz FSDGKRUKJQJXBV-QPSCCSFWSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[N@@H+](CCCc1ccc(C)nc1)CCN1CCCC1 ZINC000348556095 378993225 /nfs/dbraw/zinc/99/32/25/378993225.db2.gz OVVWOGAYDQYLRM-UHFFFAOYSA-N 2 1 289.467 3.130 20 0 CGADMP CCCN(CCCc1ccc(C)nc1)CC[NH+]1CCCC1 ZINC000348556095 378993233 /nfs/dbraw/zinc/99/32/33/378993233.db2.gz OVVWOGAYDQYLRM-UHFFFAOYSA-N 2 1 289.467 3.130 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)c(F)c1 ZINC000567652889 322172127 /nfs/dbraw/zinc/17/21/27/322172127.db2.gz GEOSTXWTTVTCKE-SNVBAGLBSA-N 2 1 270.779 3.272 20 0 CGADMP Cc1ccccc1OCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277070800 379059958 /nfs/dbraw/zinc/05/99/58/379059958.db2.gz DQZWFCNNOJXSMJ-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC000277023660 379047638 /nfs/dbraw/zinc/04/76/38/379047638.db2.gz APXSIRBVHDAJLF-SFHVURJKSA-N 2 1 272.436 3.091 20 0 CGADMP COc1ccccc1CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277037980 379050042 /nfs/dbraw/zinc/05/00/42/379050042.db2.gz BOPOGYMNSXRDMY-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277048478 379053898 /nfs/dbraw/zinc/05/38/98/379053898.db2.gz CIQUAOBKAMZORR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277048478 379053902 /nfs/dbraw/zinc/05/39/02/379053902.db2.gz CIQUAOBKAMZORR-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(C)c1C ZINC000639174796 379091367 /nfs/dbraw/zinc/09/13/67/379091367.db2.gz GTTBVUXTCJXGOW-UHFFFAOYSA-N 2 1 277.437 3.392 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(C)c1C ZINC000639174796 379091384 /nfs/dbraw/zinc/09/13/84/379091384.db2.gz GTTBVUXTCJXGOW-UHFFFAOYSA-N 2 1 277.437 3.392 20 0 CGADMP CC[C@H]1C[C@H](C[N@@H+](CC)CCC[NH+](CC)CC)CCO1 ZINC000349410947 379269487 /nfs/dbraw/zinc/26/94/87/379269487.db2.gz VFWVMDIPJVLOAE-SJORKVTESA-N 2 1 284.488 3.245 20 0 CGADMP CC[C@@H]1C[C@H](C[N@@H+](CC)CCC[NH+](CC)CC)CCO1 ZINC000349410943 379270878 /nfs/dbraw/zinc/27/08/78/379270878.db2.gz VFWVMDIPJVLOAE-IAGOWNOFSA-N 2 1 284.488 3.245 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1F ZINC000278999425 194245910 /nfs/dbraw/zinc/24/59/10/194245910.db2.gz RFUJCKUZNUMNIK-BBRMVZONSA-N 2 1 287.382 3.326 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC000639756619 379569192 /nfs/dbraw/zinc/56/91/92/379569192.db2.gz ZETSWTYXGLQZJW-UHFFFAOYSA-N 2 1 262.441 3.295 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CCC(C)C)CC1 ZINC000639985972 379675888 /nfs/dbraw/zinc/67/58/88/379675888.db2.gz GUJJMZSVGARZJB-QGZVFWFLSA-N 2 1 296.499 3.124 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C2CC2)c1 ZINC000377803784 379744563 /nfs/dbraw/zinc/74/45/63/379744563.db2.gz ZUQVLCRETUSGJA-SJLPKXTDSA-N 2 1 295.430 3.186 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(SC)cc2)[C@@H](C)C1 ZINC000280793677 379791763 /nfs/dbraw/zinc/79/17/63/379791763.db2.gz JVMVDENFIHFKBT-WMLDXEAASA-N 2 1 292.492 3.271 20 0 CGADMP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000000020013 169507255 /nfs/dbraw/zinc/50/72/55/169507255.db2.gz HHTXEBGMKQOVCU-JTQLQIEISA-N 2 1 263.772 3.250 20 0 CGADMP CCc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000352245132 379756597 /nfs/dbraw/zinc/75/65/97/379756597.db2.gz CXGPSWVOOJWMPI-UHFFFAOYSA-N 2 1 275.440 3.043 20 0 CGADMP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352517600 379841138 /nfs/dbraw/zinc/84/11/38/379841138.db2.gz DYFMRFHVKGBAEM-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352517600 379841146 /nfs/dbraw/zinc/84/11/46/379841146.db2.gz DYFMRFHVKGBAEM-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1C ZINC000352534286 379846198 /nfs/dbraw/zinc/84/61/98/379846198.db2.gz FAQRGKDXYFMQDE-MRXNPFEDSA-N 2 1 276.424 3.015 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000282189669 379870193 /nfs/dbraw/zinc/87/01/93/379870193.db2.gz NGAGKYWTWZLNPL-MOPGFXCFSA-N 2 1 298.474 3.473 20 0 CGADMP C[C@H](F)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352447869 379818461 /nfs/dbraw/zinc/81/84/61/379818461.db2.gz OYNREKHAHKSAAN-CGTJXYLNSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H](F)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352447869 379818465 /nfs/dbraw/zinc/81/84/65/379818465.db2.gz OYNREKHAHKSAAN-CGTJXYLNSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H](F)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352447869 379818468 /nfs/dbraw/zinc/81/84/68/379818468.db2.gz OYNREKHAHKSAAN-CGTJXYLNSA-N 2 1 290.426 3.188 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC[C@@H]1CCOC1 ZINC000640534105 379819119 /nfs/dbraw/zinc/81/91/19/379819119.db2.gz LRWHBFMZPPLPSI-QGZVFWFLSA-N 2 1 282.472 3.001 20 0 CGADMP Cc1ccnc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640534638 379820662 /nfs/dbraw/zinc/82/06/62/379820662.db2.gz QRPVVNFGGTYAGZ-UHFFFAOYSA-N 2 1 275.440 3.088 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CC(F)(F)F ZINC000402648820 379970264 /nfs/dbraw/zinc/97/02/64/379970264.db2.gz GBIKXQUXRGEFDX-MROQNXINSA-N 2 1 280.378 3.283 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000401758124 379958388 /nfs/dbraw/zinc/95/83/88/379958388.db2.gz GECUMEZALKVUOC-HNNXBMFYSA-N 2 1 285.435 3.309 20 0 CGADMP CCCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000401833871 379959232 /nfs/dbraw/zinc/95/92/32/379959232.db2.gz HGBRDFWKRUAFCP-KRWDZBQOSA-N 2 1 271.408 3.484 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410378003 380091018 /nfs/dbraw/zinc/09/10/18/380091018.db2.gz JSFFHZUPXAQGRT-JKSUJKDBSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccncc1CCC[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000347904700 218395203 /nfs/dbraw/zinc/39/52/03/218395203.db2.gz MVXAFOPGCNALAW-UHFFFAOYSA-N 2 1 289.467 3.177 20 0 CGADMP Cc1ccncc1CCC[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000347904700 218395205 /nfs/dbraw/zinc/39/52/05/218395205.db2.gz MVXAFOPGCNALAW-UHFFFAOYSA-N 2 1 289.467 3.177 20 0 CGADMP CN1CC[C@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931824 380044984 /nfs/dbraw/zinc/04/49/84/380044984.db2.gz OEJQDRLMNCUJPL-LRDDRELGSA-N 2 1 288.366 3.098 20 0 CGADMP CN1CC[C@H]2CC[N@@H+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931824 380044991 /nfs/dbraw/zinc/04/49/91/380044991.db2.gz OEJQDRLMNCUJPL-LRDDRELGSA-N 2 1 288.366 3.098 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000414182077 380199858 /nfs/dbraw/zinc/19/98/58/380199858.db2.gz MRCKGVQHQSOGJV-OWCLPIDISA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCF ZINC000285652976 380153328 /nfs/dbraw/zinc/15/33/28/380153328.db2.gz ORBJJCLHOJQULY-VQFNDLOPSA-N 2 1 292.442 3.482 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000643057867 380209266 /nfs/dbraw/zinc/20/92/66/380209266.db2.gz NYTPLNQPHVLQMW-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3cccnc32)CCCCCC1 ZINC000643498761 380320970 /nfs/dbraw/zinc/32/09/70/380320970.db2.gz RBDSAMNPFKYDGJ-OAHLLOKOSA-N 2 1 273.424 3.100 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507211 380330381 /nfs/dbraw/zinc/33/03/81/380330381.db2.gz VYWPEYCCJVAKEB-AWEZNQCLSA-N 2 1 260.425 3.084 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000414672446 380364398 /nfs/dbraw/zinc/36/43/98/380364398.db2.gz PELYMKPUNYBCTA-TZMCWYRMSA-N 2 1 298.377 3.108 20 0 CGADMP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1C(C)C ZINC000643548795 380364979 /nfs/dbraw/zinc/36/49/79/380364979.db2.gz VHEIQRJYQIPPEV-UKRRQHHQSA-N 2 1 290.455 3.098 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccsc2)CC[NH2+]1 ZINC000414676591 380367657 /nfs/dbraw/zinc/36/76/57/380367657.db2.gz NXUBSWVENDMFHT-NFAWXSAZSA-N 2 1 264.438 3.273 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000414767070 380396036 /nfs/dbraw/zinc/39/60/36/380396036.db2.gz JFRRQMZMFIAYBJ-OTWHNJEPSA-N 2 1 286.463 3.358 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000414688376 380375312 /nfs/dbraw/zinc/37/53/12/380375312.db2.gz DCMDZIBNEROYIM-NWDGAFQWSA-N 2 1 284.806 3.299 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414710666 380383601 /nfs/dbraw/zinc/38/36/01/380383601.db2.gz GYAPLSWNAMVWDW-QGZVFWFLSA-N 2 1 260.425 3.267 20 0 CGADMP CC[N@@H+](Cc1cccc(C)c1C)[C@H]1CCC[NH2+]CC1 ZINC000414717570 380384987 /nfs/dbraw/zinc/38/49/87/380384987.db2.gz PVBFVSWUSXJCNX-KRWDZBQOSA-N 2 1 260.425 3.267 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000643526885 380342975 /nfs/dbraw/zinc/34/29/75/380342975.db2.gz HAKVFRYKHYOSRM-SUMWQHHRSA-N 2 1 272.367 3.046 20 0 CGADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643529291 380346603 /nfs/dbraw/zinc/34/66/03/380346603.db2.gz YFMQQEYMVXZHLL-GHMZBOCLSA-N 2 1 275.421 3.116 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000643529109 380346892 /nfs/dbraw/zinc/34/68/92/380346892.db2.gz VIFBWBINBCOMBO-CRAIPNDOSA-N 2 1 268.404 3.297 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000414652002 380352265 /nfs/dbraw/zinc/35/22/65/380352265.db2.gz CTAVCJKMMWMVPC-MAUKXSAKSA-N 2 1 274.452 3.412 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414670316 380362363 /nfs/dbraw/zinc/36/23/63/380362363.db2.gz CYLAKOBGAYFBPC-UPJWGTAASA-N 2 1 282.378 3.346 20 0 CGADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547451 380362635 /nfs/dbraw/zinc/36/26/35/380362635.db2.gz FRLDBCIGKPDHOY-XHDPSFHLSA-N 2 1 292.373 3.216 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414813742 380425629 /nfs/dbraw/zinc/42/56/29/380425629.db2.gz YQJCZUFZQQSZCA-IBGZPJMESA-N 2 1 280.415 3.489 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414814503 380426833 /nfs/dbraw/zinc/42/68/33/380426833.db2.gz NXYFOODFVRNFMF-HNNXBMFYSA-N 2 1 291.826 3.495 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414818846 380429841 /nfs/dbraw/zinc/42/98/41/380429841.db2.gz WVHFXXWNJZBLNA-IUODEOHRSA-N 2 1 252.377 3.036 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000414818576 380430552 /nfs/dbraw/zinc/43/05/52/380430552.db2.gz WCXMCFHSQXDQFZ-HOCLYGCPSA-N 2 1 278.440 3.123 20 0 CGADMP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414825356 380433410 /nfs/dbraw/zinc/43/34/10/380433410.db2.gz SHYHRJQVCNZHCD-CYBMUJFWSA-N 2 1 272.367 3.320 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414824304 380434175 /nfs/dbraw/zinc/43/41/75/380434175.db2.gz JZSPSBZNVCEGOW-SJORKVTESA-N 2 1 260.425 3.302 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856937 380457753 /nfs/dbraw/zinc/45/77/53/380457753.db2.gz ZSLYGARTQYEDHO-GUYCJALGSA-N 2 1 278.415 3.254 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCSCc1ccccc1)C1CCCCC1 ZINC000414832833 380441434 /nfs/dbraw/zinc/44/14/34/380441434.db2.gz DZBBWYFCUGFUMX-QGZVFWFLSA-N 2 1 292.492 3.417 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000414832970 380441562 /nfs/dbraw/zinc/44/15/62/380441562.db2.gz RRTKVIXUNMTQDZ-DJIMGWMZSA-N 2 1 260.425 3.158 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000414832968 380441911 /nfs/dbraw/zinc/44/19/11/380441911.db2.gz RRTKVIXUNMTQDZ-BHYGNILZSA-N 2 1 260.425 3.158 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000414832974 380442789 /nfs/dbraw/zinc/44/27/89/380442789.db2.gz RRTKVIXUNMTQDZ-USXIJHARSA-N 2 1 260.425 3.158 20 0 CGADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(F)cc2)CCCCC1 ZINC000414836028 380444432 /nfs/dbraw/zinc/44/44/32/380444432.db2.gz FCBMVVBOMYTYFW-PLNGDYQASA-N 2 1 262.372 3.090 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414841166 380447270 /nfs/dbraw/zinc/44/72/70/380447270.db2.gz NBAJRVIEKOAKHS-CJNGLKHVSA-N 2 1 266.404 3.110 20 0 CGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414772787 380398261 /nfs/dbraw/zinc/39/82/61/380398261.db2.gz CLCUYRAIVLYIOK-UONOGXRCSA-N 2 1 296.817 3.301 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414854777 380455510 /nfs/dbraw/zinc/45/55/10/380455510.db2.gz VLXNEMAEWQVRGV-DLBZAZTESA-N 2 1 262.441 3.279 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000414778981 380401260 /nfs/dbraw/zinc/40/12/60/380401260.db2.gz JXZTYMUTKNLXQR-HUUCEWRRSA-N 2 1 278.465 3.186 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000414854062 380455678 /nfs/dbraw/zinc/45/56/78/380455678.db2.gz UEWFGGPVLLLMJT-LBPRGKRZSA-N 2 1 286.822 3.375 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414853770 380455745 /nfs/dbraw/zinc/45/57/45/380455745.db2.gz TVXDWGWXBAONKB-GFCCVEGCSA-N 2 1 290.329 3.048 20 0 CGADMP CCCOc1ccc(C[NH2+]CC([NH3+])(CC)CC)cc1OC ZINC000414803210 380416014 /nfs/dbraw/zinc/41/60/14/380416014.db2.gz MAECCGWKVHHDKD-UHFFFAOYSA-N 2 1 294.439 3.091 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414806827 380420598 /nfs/dbraw/zinc/42/05/98/380420598.db2.gz QLKYUAQQFIIEMO-UHFFFAOYSA-N 2 1 278.396 3.381 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414939718 380498215 /nfs/dbraw/zinc/49/82/15/380498215.db2.gz ZXPOVLFCTKJRSL-NWDGAFQWSA-N 2 1 280.378 3.475 20 0 CGADMP CC1([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000414938270 380498227 /nfs/dbraw/zinc/49/82/27/380498227.db2.gz IGESLCTXPDWBPW-UHFFFAOYSA-N 2 1 290.304 3.076 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000414898404 380480184 /nfs/dbraw/zinc/48/01/84/380480184.db2.gz SZHVEDODUHLKSH-OAHLLOKOSA-N 2 1 290.407 3.381 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417301144 380588232 /nfs/dbraw/zinc/58/82/32/380588232.db2.gz ACGVJXMWVCUFMJ-VBNZEHGJSA-N 2 1 290.476 3.457 20 0 CGADMP c1ccc(C[C@@H]2CCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420309083 380848214 /nfs/dbraw/zinc/84/82/14/380848214.db2.gz SXVIXZQOOMVSDL-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357104022 381030692 /nfs/dbraw/zinc/03/06/92/381030692.db2.gz KVIWEEFEEDOBNA-KBPBESRZSA-N 2 1 284.403 3.037 20 0 CGADMP CC[C@H]1CN(c2cc[nH+]cc2C)CC[N@H+]1Cc1ccccc1 ZINC000359584225 381354593 /nfs/dbraw/zinc/35/45/93/381354593.db2.gz RDTGOVXBDCEADT-SFHVURJKSA-N 2 1 295.430 3.491 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc(OC)c2)C1 ZINC000360242567 381494611 /nfs/dbraw/zinc/49/46/11/381494611.db2.gz PIWOBGAXGYRJTD-CRAIPNDOSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000360981344 381642047 /nfs/dbraw/zinc/64/20/47/381642047.db2.gz KCLRYCUCXAOTAJ-RYQLBKOJSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc(C2CC2)c(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227123036 542292562 /nfs/dbraw/zinc/29/25/62/542292562.db2.gz FTEJOAJNCQHGEQ-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000227123036 542292565 /nfs/dbraw/zinc/29/25/65/542292565.db2.gz FTEJOAJNCQHGEQ-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227123036 542292567 /nfs/dbraw/zinc/29/25/67/542292567.db2.gz FTEJOAJNCQHGEQ-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227123036 542292569 /nfs/dbraw/zinc/29/25/69/542292569.db2.gz FTEJOAJNCQHGEQ-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000362912852 382145398 /nfs/dbraw/zinc/14/53/98/382145398.db2.gz JAZTXMVRPHEUBP-ZDUSSCGKSA-N 2 1 261.413 3.140 20 0 CGADMP Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000235977420 542313583 /nfs/dbraw/zinc/31/35/83/542313583.db2.gz JVFWXDCARNVMTG-HUUCEWRRSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1C(C)C ZINC000364958441 382279259 /nfs/dbraw/zinc/27/92/59/382279259.db2.gz XNMANSFSEGBZFW-CWRNSKLLSA-N 2 1 290.455 3.050 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1C(C)C ZINC000364958441 382279266 /nfs/dbraw/zinc/27/92/66/382279266.db2.gz XNMANSFSEGBZFW-CWRNSKLLSA-N 2 1 290.455 3.050 20 0 CGADMP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000249017559 542338323 /nfs/dbraw/zinc/33/83/23/542338323.db2.gz JOCIPKPABYIMQM-FDQGKXFDSA-N 2 1 299.418 3.399 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000251854486 542348684 /nfs/dbraw/zinc/34/86/84/542348684.db2.gz SDGLHKBUJIHJHU-NVXWUHKLSA-N 2 1 260.425 3.369 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000251902393 542348964 /nfs/dbraw/zinc/34/89/64/542348964.db2.gz WYUAWVNYYMYRKA-FZKCQIBNSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000251902393 542348969 /nfs/dbraw/zinc/34/89/69/542348969.db2.gz WYUAWVNYYMYRKA-FZKCQIBNSA-N 2 1 252.446 3.418 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419112 542349469 /nfs/dbraw/zinc/34/94/69/542349469.db2.gz YDLMWXINGKCZNX-MXDAGHGGSA-N 2 1 270.420 3.164 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000280884487 195014374 /nfs/dbraw/zinc/01/43/74/195014374.db2.gz PMTJPXUTWUEELP-LLLHUVSDSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000280884487 195014376 /nfs/dbraw/zinc/01/43/76/195014376.db2.gz PMTJPXUTWUEELP-LLLHUVSDSA-N 2 1 258.409 3.005 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423271351 533061399 /nfs/dbraw/zinc/06/13/99/533061399.db2.gz IZHPMWNPUHTGGE-AAEUAGOBSA-N 2 1 252.427 3.042 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743214 220291053 /nfs/dbraw/zinc/29/10/53/220291053.db2.gz BOGOFHHWTYOZHZ-RHSMWYFYSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743214 220291054 /nfs/dbraw/zinc/29/10/54/220291054.db2.gz BOGOFHHWTYOZHZ-RHSMWYFYSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743214 220291056 /nfs/dbraw/zinc/29/10/56/220291056.db2.gz BOGOFHHWTYOZHZ-RHSMWYFYSA-N 2 1 285.435 3.473 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000337416822 285151724 /nfs/dbraw/zinc/15/17/24/285151724.db2.gz PNWRUJBRJDSYJL-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c2ccccc12 ZINC000423279031 533112457 /nfs/dbraw/zinc/11/24/57/533112457.db2.gz QVTZTFUQWKMPLM-PXAZEXFGSA-N 2 1 284.403 3.236 20 0 CGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CCC1CCCCCC1 ZINC000347995184 285289955 /nfs/dbraw/zinc/28/99/55/285289955.db2.gz FBEWVABNTIOMKZ-GOSISDBHSA-N 2 1 296.499 3.173 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414186893 533415181 /nfs/dbraw/zinc/41/51/81/533415181.db2.gz PPOGFZQBFCDFDV-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423339466 533423995 /nfs/dbraw/zinc/42/39/95/533423995.db2.gz VDISDYXZXYFOOU-WBMJQRKESA-N 2 1 298.377 3.328 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1C(C)(C)C ZINC000423322708 533431668 /nfs/dbraw/zinc/43/16/68/533431668.db2.gz OGWNFLFTMBZOPW-WBMJQRKESA-N 2 1 260.425 3.372 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1OC(F)F ZINC000423400159 533525077 /nfs/dbraw/zinc/52/50/77/533525077.db2.gz WMCCTPUIBZJLQG-IJLUTSLNSA-N 2 1 284.350 3.079 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC000156291085 533658853 /nfs/dbraw/zinc/65/88/53/533658853.db2.gz PWWKXQLCRGWCFG-OAUYIBNBSA-N 2 1 276.399 3.349 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC[N@H+]1C ZINC000156291085 533658864 /nfs/dbraw/zinc/65/88/64/533658864.db2.gz PWWKXQLCRGWCFG-OAUYIBNBSA-N 2 1 276.399 3.349 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000037649078 391982177 /nfs/dbraw/zinc/98/21/77/391982177.db2.gz PABFNJJTWTUKEK-JSGCOSHPSA-N 2 1 278.465 3.500 20 0 CGADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)s1 ZINC000049687874 392056662 /nfs/dbraw/zinc/05/66/62/392056662.db2.gz WTFOBYXYGOJFBG-YIONKMFJSA-N 2 1 264.438 3.080 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000058396419 392114396 /nfs/dbraw/zinc/11/43/96/392114396.db2.gz RVMUQKGQQYCKSQ-UHFFFAOYSA-N 2 1 284.488 3.245 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000059639704 392119932 /nfs/dbraw/zinc/11/99/32/392119932.db2.gz BCYADONWLLVIGR-ZDUSSCGKSA-N 2 1 295.496 3.261 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000059639704 392119944 /nfs/dbraw/zinc/11/99/44/392119944.db2.gz BCYADONWLLVIGR-ZDUSSCGKSA-N 2 1 295.496 3.261 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000071141863 392188284 /nfs/dbraw/zinc/18/82/84/392188284.db2.gz XVUOFGYVOGGMPW-HUUCEWRRSA-N 2 1 268.404 3.442 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000071122052 392188317 /nfs/dbraw/zinc/18/83/17/392188317.db2.gz CASRKBJUFODVAX-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000071122052 392188323 /nfs/dbraw/zinc/18/83/23/392188323.db2.gz CASRKBJUFODVAX-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821152 392232471 /nfs/dbraw/zinc/23/24/71/392232471.db2.gz NYPAIDJEGGLPKO-UHFFFAOYSA-N 2 1 275.440 3.276 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)oc1C ZINC000281963438 392263959 /nfs/dbraw/zinc/26/39/59/392263959.db2.gz BCBMXKNEFYTQCC-GXTWGEPZSA-N 2 1 262.397 3.031 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)oc1C ZINC000281963438 392263965 /nfs/dbraw/zinc/26/39/65/392263965.db2.gz BCBMXKNEFYTQCC-GXTWGEPZSA-N 2 1 262.397 3.031 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000105443614 392289094 /nfs/dbraw/zinc/28/90/94/392289094.db2.gz UMZKNXWJPHJKNA-CQSZACIVSA-N 2 1 271.408 3.180 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000432836438 542653749 /nfs/dbraw/zinc/65/37/49/542653749.db2.gz UWQKEVVHCANVEK-OAHLLOKOSA-N 2 1 250.430 3.127 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000249373080 131121502 /nfs/dbraw/zinc/12/15/02/131121502.db2.gz FDWMMHKDZXPBSN-OLZOCXBDSA-N 2 1 298.377 3.280 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000249373080 131121504 /nfs/dbraw/zinc/12/15/04/131121504.db2.gz FDWMMHKDZXPBSN-OLZOCXBDSA-N 2 1 298.377 3.280 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712281 392452422 /nfs/dbraw/zinc/45/24/22/392452422.db2.gz GGLIUTLUCSLARH-KMFMINBZSA-N 2 1 276.424 3.219 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712281 392452426 /nfs/dbraw/zinc/45/24/26/392452426.db2.gz GGLIUTLUCSLARH-KMFMINBZSA-N 2 1 276.424 3.219 20 0 CGADMP CCOCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120351731 392400059 /nfs/dbraw/zinc/40/00/59/392400059.db2.gz UNKWEHFDRQVINN-QGZVFWFLSA-N 2 1 282.472 3.001 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCCC1 ZINC000149433119 392480665 /nfs/dbraw/zinc/48/06/65/392480665.db2.gz BHUPJIYFDRRVQL-MRXNPFEDSA-N 2 1 292.854 3.271 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367999232 392485117 /nfs/dbraw/zinc/48/51/17/392485117.db2.gz UAXLLOQIXLHCER-YHUYYLMFSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000151934187 392489825 /nfs/dbraw/zinc/48/98/25/392489825.db2.gz FERNGQIDGBSPTI-INIZCTEOSA-N 2 1 276.424 3.058 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC000302702469 392619234 /nfs/dbraw/zinc/61/92/34/392619234.db2.gz BMQRXFXAWLQHGG-CRAIPNDOSA-N 2 1 295.430 3.464 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000157887879 392550438 /nfs/dbraw/zinc/55/04/38/392550438.db2.gz UEFMYAQYVXTLIX-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000647284569 392637443 /nfs/dbraw/zinc/63/74/43/392637443.db2.gz WIYSPEMVNRDQCE-WMZOPIPTSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000306584166 392641097 /nfs/dbraw/zinc/64/10/97/392641097.db2.gz QAZCUHOJHTYWRC-RDJZCZTQSA-N 2 1 281.403 3.465 20 0 CGADMP CCCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506567211 392728291 /nfs/dbraw/zinc/72/82/91/392728291.db2.gz QJMZPOFQNOIQFB-ZWKOTPCHSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506567211 392728298 /nfs/dbraw/zinc/72/82/98/392728298.db2.gz QJMZPOFQNOIQFB-ZWKOTPCHSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506567211 392728303 /nfs/dbraw/zinc/72/83/03/392728303.db2.gz QJMZPOFQNOIQFB-ZWKOTPCHSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506567211 392728307 /nfs/dbraw/zinc/72/83/07/392728307.db2.gz QJMZPOFQNOIQFB-ZWKOTPCHSA-N 2 1 296.499 3.390 20 0 CGADMP CC1(C)CCC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482408 392736379 /nfs/dbraw/zinc/73/63/79/392736379.db2.gz CTNSOSWFXAVFGF-AWEZNQCLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496571 392740874 /nfs/dbraw/zinc/74/08/74/392740874.db2.gz YZYYTCZRDSXNCX-CABCVRRESA-N 2 1 260.425 3.023 20 0 CGADMP CC(C)(C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000647511761 392744543 /nfs/dbraw/zinc/74/45/43/392744543.db2.gz AORWEHCURLACLL-XIRDDKMYSA-N 2 1 272.436 3.023 20 0 CGADMP CC(C)(C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000647511760 392744593 /nfs/dbraw/zinc/74/45/93/392744593.db2.gz AORWEHCURLACLL-USXIJHARSA-N 2 1 272.436 3.023 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000334721576 392748676 /nfs/dbraw/zinc/74/86/76/392748676.db2.gz OHBSQZAHOUTYTM-MRXNPFEDSA-N 2 1 292.467 3.085 20 0 CGADMP Fc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542835 392759600 /nfs/dbraw/zinc/75/96/00/392759600.db2.gz COKGDFHPNRDVOW-HZPDHXFCSA-N 2 1 276.399 3.037 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543100 392760097 /nfs/dbraw/zinc/76/00/97/392760097.db2.gz HNTSZOZLGZUUBH-SJORKVTESA-N 2 1 290.426 3.346 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000647545697 392762888 /nfs/dbraw/zinc/76/28/88/392762888.db2.gz GEWHTVZVWQCBNW-DOTOQJQBSA-N 2 1 295.430 3.056 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2csc3ccccc23)C1 ZINC000647550171 392764306 /nfs/dbraw/zinc/76/43/06/392764306.db2.gz DHJIVYYVUZAQKD-OCCSQVGLSA-N 2 1 274.433 3.031 20 0 CGADMP Cc1cccc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000181118498 392720048 /nfs/dbraw/zinc/72/00/48/392720048.db2.gz MEQOYQICOLSGHB-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000375508732 392787251 /nfs/dbraw/zinc/78/72/51/392787251.db2.gz UUOZXHSVXAYLTL-ZBFHGGJFSA-N 2 1 288.435 3.463 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779421 392792294 /nfs/dbraw/zinc/79/22/94/392792294.db2.gz WQGKOJWUXWAGPR-HOCLYGCPSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779421 392792303 /nfs/dbraw/zinc/79/23/03/392792303.db2.gz WQGKOJWUXWAGPR-HOCLYGCPSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779421 392792308 /nfs/dbraw/zinc/79/23/08/392792308.db2.gz WQGKOJWUXWAGPR-HOCLYGCPSA-N 2 1 280.481 3.485 20 0 CGADMP c1ccc2cc(C[N@H+](C[C@H]3CC[NH2+]C3)C3CC3)ccc2c1 ZINC000647875122 392821255 /nfs/dbraw/zinc/82/12/55/392821255.db2.gz XHPWVMRNPSQPCB-INIZCTEOSA-N 2 1 280.415 3.414 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000375791637 392821412 /nfs/dbraw/zinc/82/14/12/392821412.db2.gz YQMUXIZKSYDJIL-GZBFAFLISA-N 2 1 293.480 3.229 20 0 CGADMP CC(C)c1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000375791637 392821415 /nfs/dbraw/zinc/82/14/15/392821415.db2.gz YQMUXIZKSYDJIL-GZBFAFLISA-N 2 1 293.480 3.229 20 0 CGADMP C([C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647882651 392824639 /nfs/dbraw/zinc/82/46/39/392824639.db2.gz JTFJAZSBPLJCCO-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647885016 392826714 /nfs/dbraw/zinc/82/67/14/392826714.db2.gz YAALMQFBBWSXOZ-DJIMGWMZSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc([C@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647884938 392827437 /nfs/dbraw/zinc/82/74/37/392827437.db2.gz OFPZVMJLNUQYRI-DOTOQJQBSA-N 2 1 258.409 3.132 20 0 CGADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337998524 392895418 /nfs/dbraw/zinc/89/54/18/392895418.db2.gz NVAPBMKLCFLBLG-JONQDZQNSA-N 2 1 268.420 3.121 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000381453111 392909345 /nfs/dbraw/zinc/90/93/45/392909345.db2.gz HJNBWHZLQNFJFR-CHWSQXEVSA-N 2 1 252.427 3.049 20 0 CGADMP CC[NH+](CC1(C[N@H+](CC)C2CC2)CCC1)C1CC1 ZINC000647958771 392846189 /nfs/dbraw/zinc/84/61/89/392846189.db2.gz ARXNZTYRRNKVTH-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CCC1CCC([N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CC2)CC1 ZINC000647959884 392846308 /nfs/dbraw/zinc/84/63/08/392846308.db2.gz SUZQMXIRBSGAIM-HTWSVDAQSA-N 2 1 296.499 3.121 20 0 CGADMP CCC1CCC([NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2CC2)CC1 ZINC000647959884 392846313 /nfs/dbraw/zinc/84/63/13/392846313.db2.gz SUZQMXIRBSGAIM-HTWSVDAQSA-N 2 1 296.499 3.121 20 0 CGADMP CCC1CCC([NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2CC2)CC1 ZINC000647959884 392846319 /nfs/dbraw/zinc/84/63/19/392846319.db2.gz SUZQMXIRBSGAIM-HTWSVDAQSA-N 2 1 296.499 3.121 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977014 392854094 /nfs/dbraw/zinc/85/40/94/392854094.db2.gz XAECISCVBHVPKO-MOPGFXCFSA-N 2 1 286.463 3.331 20 0 CGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647989160 392858317 /nfs/dbraw/zinc/85/83/17/392858317.db2.gz RMZDPJIGRZSCLU-DOTOQJQBSA-N 2 1 258.409 3.050 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647990050 392859249 /nfs/dbraw/zinc/85/92/49/392859249.db2.gz XZJYYEZRHPTHLA-CHWSQXEVSA-N 2 1 281.469 3.177 20 0 CGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647990050 392859254 /nfs/dbraw/zinc/85/92/54/392859254.db2.gz XZJYYEZRHPTHLA-CHWSQXEVSA-N 2 1 281.469 3.177 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000518623583 392871578 /nfs/dbraw/zinc/87/15/78/392871578.db2.gz NZIDNCXRNWAXBI-KLAILNCOSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000518623583 392871583 /nfs/dbraw/zinc/87/15/83/392871583.db2.gz NZIDNCXRNWAXBI-KLAILNCOSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccn2)C[C@H]1c1ccccc1 ZINC000340169124 392965593 /nfs/dbraw/zinc/96/55/93/392965593.db2.gz ZFANQXIHDLGADN-OALUTQOASA-N 2 1 295.430 3.049 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccn2)C[C@H]1c1ccccc1 ZINC000340169124 392965600 /nfs/dbraw/zinc/96/56/00/392965600.db2.gz ZFANQXIHDLGADN-OALUTQOASA-N 2 1 295.430 3.049 20 0 CGADMP Cc1cccc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000211328538 392984853 /nfs/dbraw/zinc/98/48/53/392984853.db2.gz AGENEPLIHKMYHH-UHFFFAOYSA-N 2 1 280.415 3.273 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648433225 393013662 /nfs/dbraw/zinc/01/36/62/393013662.db2.gz MTLRCDFJRMJAMJ-APWZRJJASA-N 2 1 286.463 3.256 20 0 CGADMP C[C@@H]1C[C@H](NCc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648465002 393035323 /nfs/dbraw/zinc/03/53/23/393035323.db2.gz NJNIVFKZUFYGPF-ZWNOBZJWSA-N 2 1 293.798 3.054 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CCN1C ZINC000648465002 393035333 /nfs/dbraw/zinc/03/53/33/393035333.db2.gz NJNIVFKZUFYGPF-ZWNOBZJWSA-N 2 1 293.798 3.054 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414338092 393047475 /nfs/dbraw/zinc/04/74/75/393047475.db2.gz QYKUFVRVGQYISZ-JKJDWNRSSA-N 2 1 296.499 3.287 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414654691 393050385 /nfs/dbraw/zinc/05/03/85/393050385.db2.gz CJYCYZHDCMPBLY-LMSBXDPUSA-N 2 1 272.436 3.166 20 0 CGADMP C[C@@H](C[NH3+])[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414948910 393058149 /nfs/dbraw/zinc/05/81/49/393058149.db2.gz YMFOAMZIZRPERQ-JTQLQIEISA-N 2 1 275.223 3.253 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@]2(C)CCCc3ccccc32)CC1 ZINC000546606273 393060621 /nfs/dbraw/zinc/06/06/21/393060621.db2.gz MSXIBMITBOWCHP-SFHVURJKSA-N 2 1 272.436 3.312 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000414973718 393074354 /nfs/dbraw/zinc/07/43/54/393074354.db2.gz CMCUCMSYZYJJHU-KRWDZBQOSA-N 2 1 284.403 3.093 20 0 CGADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1Cl ZINC000266186298 393177012 /nfs/dbraw/zinc/17/70/12/393177012.db2.gz HECKNIBCNHGWJX-UHFFFAOYSA-N 2 1 293.798 3.033 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415049866 393112122 /nfs/dbraw/zinc/11/21/22/393112122.db2.gz BQDAKTVXIWHUPT-CYBMUJFWSA-N 2 1 288.357 3.477 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415054477 393117341 /nfs/dbraw/zinc/11/73/41/393117341.db2.gz MCRAQSCVGMWDPZ-HOCLYGCPSA-N 2 1 262.441 3.218 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415058261 393120488 /nfs/dbraw/zinc/12/04/88/393120488.db2.gz VHRLQAOOVKFJDI-DOTOQJQBSA-N 2 1 284.403 3.397 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415060837 393122226 /nfs/dbraw/zinc/12/22/26/393122226.db2.gz ZAFPUIVQCNBOLP-PBHICJAKSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@H](CC[NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000415063713 393123986 /nfs/dbraw/zinc/12/39/86/393123986.db2.gz IWQSCXHYQHSCNX-RHSMWYFYSA-N 2 1 260.425 3.287 20 0 CGADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083340 393136173 /nfs/dbraw/zinc/13/61/73/393136173.db2.gz PTPDGVCQQGTYQA-XLAORIBOSA-N 2 1 288.435 3.027 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415123223 393151064 /nfs/dbraw/zinc/15/10/64/393151064.db2.gz JFZITDIORJSUBL-KGLIPLIRSA-N 2 1 286.419 3.412 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415132419 393155067 /nfs/dbraw/zinc/15/50/67/393155067.db2.gz UEJUXZDLZGIBBZ-INMHGKMJSA-N 2 1 260.425 3.097 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000271193908 393246335 /nfs/dbraw/zinc/24/63/35/393246335.db2.gz RORVRGZAEMTZBL-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccccc3c2)C1 ZINC000271193908 393246340 /nfs/dbraw/zinc/24/63/40/393246340.db2.gz RORVRGZAEMTZBL-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000271193908 393246344 /nfs/dbraw/zinc/24/63/44/393246344.db2.gz RORVRGZAEMTZBL-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000271193908 393246352 /nfs/dbraw/zinc/24/63/52/393246352.db2.gz RORVRGZAEMTZBL-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278917809 393328967 /nfs/dbraw/zinc/32/89/67/393328967.db2.gz HLCWXPVVDMRQSR-OLZOCXBDSA-N 2 1 275.421 3.166 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(OC)c2)CC1 ZINC000648816720 393261389 /nfs/dbraw/zinc/26/13/89/393261389.db2.gz CQZQMXZOMRHGDB-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000471221311 393277555 /nfs/dbraw/zinc/27/75/55/393277555.db2.gz SWYCSBDLASCFCH-APWZRJJASA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000471221311 393277561 /nfs/dbraw/zinc/27/75/61/393277561.db2.gz SWYCSBDLASCFCH-APWZRJJASA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccc(CC[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000471221311 393277565 /nfs/dbraw/zinc/27/75/65/393277565.db2.gz SWYCSBDLASCFCH-APWZRJJASA-N 2 1 288.479 3.454 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000474708483 393342441 /nfs/dbraw/zinc/34/24/41/393342441.db2.gz LOMOWIFEAYZLBE-CVEARBPZSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000474708483 393342445 /nfs/dbraw/zinc/34/24/45/393342445.db2.gz LOMOWIFEAYZLBE-CVEARBPZSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000474807250 393350191 /nfs/dbraw/zinc/35/01/91/393350191.db2.gz HSCHMVXEXLMBGV-IAGOWNOFSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1C ZINC000487105341 393449663 /nfs/dbraw/zinc/44/96/63/393449663.db2.gz UMUMGSDYQCKKAX-QGZVFWFLSA-N 2 1 269.392 3.011 20 0 CGADMP Fc1cccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420295829 393451514 /nfs/dbraw/zinc/45/15/14/393451514.db2.gz AXHHVJQMTDTBEZ-YJBOKZPZSA-N 2 1 290.426 3.222 20 0 CGADMP CC1CCC([N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)CC1 ZINC000420294524 393451622 /nfs/dbraw/zinc/45/16/22/393451622.db2.gz AZDQXGYFGQDVBZ-IKJBURDNSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccccc1C1CC([N@H+](C[C@H](C)[NH3+])C2CC2)C1 ZINC000420298498 393453335 /nfs/dbraw/zinc/45/33/35/393453335.db2.gz HHMRANNNUBVKNT-HLIUYOAVSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1ccccc1C1CC([N@@H+](C[C@H](C)[NH3+])C2CC2)C1 ZINC000420298498 393453339 /nfs/dbraw/zinc/45/33/39/393453339.db2.gz HHMRANNNUBVKNT-HLIUYOAVSA-N 2 1 258.409 3.053 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420306011 393458041 /nfs/dbraw/zinc/45/80/41/393458041.db2.gz QGDRAKCPKRMVKL-MSOLQXFVSA-N 2 1 274.452 3.248 20 0 CGADMP C[C@H]([NH3+])C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000420307112 393458189 /nfs/dbraw/zinc/45/81/89/393458189.db2.gz RBPSSPQQZQVYCE-QMMMGPOBSA-N 2 1 261.196 3.165 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420309929 393459136 /nfs/dbraw/zinc/45/91/36/393459136.db2.gz UJQBYMUNBYDGGU-SJLPKXTDSA-N 2 1 272.436 3.256 20 0 CGADMP c1ccc(CC[N@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000420308910 393459258 /nfs/dbraw/zinc/45/92/58/393459258.db2.gz SNKLWDJHJBOPHY-SFHVURJKSA-N 2 1 286.463 3.473 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420309381 393459541 /nfs/dbraw/zinc/45/95/41/393459541.db2.gz SZWIWRUXYPQYKV-AEFFLSMTSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420314703 393461922 /nfs/dbraw/zinc/46/19/22/393461922.db2.gz ZJGCHGDARAYPPB-OLZOCXBDSA-N 2 1 289.448 3.289 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420318751 393464113 /nfs/dbraw/zinc/46/41/13/393464113.db2.gz OSWOAASNRQTYML-RDJZCZTQSA-N 2 1 258.409 3.132 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323638 393466042 /nfs/dbraw/zinc/46/60/42/393466042.db2.gz GMYGBVUKTGUSQY-MCIONIFRSA-N 2 1 294.389 3.347 20 0 CGADMP Fc1cccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420320034 393466112 /nfs/dbraw/zinc/46/61/12/393466112.db2.gz QCWJRZVTNFOKKQ-CQSZACIVSA-N 2 1 276.399 3.180 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328664 393467165 /nfs/dbraw/zinc/46/71/65/393467165.db2.gz MRPZCTATSDNPPI-KZNAEPCWSA-N 2 1 272.436 3.459 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)c(Cl)c1 ZINC000420371189 393476796 /nfs/dbraw/zinc/47/67/96/393476796.db2.gz ZWQLBBFGOXXLEL-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249019 393412331 /nfs/dbraw/zinc/41/23/31/393412331.db2.gz XNJLPRGGOBSNSD-NXHRZFHOSA-N 2 1 274.452 3.356 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000488357012 393496376 /nfs/dbraw/zinc/49/63/76/393496376.db2.gz OQJNARQTTTUJGN-VQIMIIECSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000488357008 393496383 /nfs/dbraw/zinc/49/63/83/393496383.db2.gz OQJNARQTTTUJGN-APWZRJJASA-N 2 1 286.463 3.486 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(C(C)C)C2)[C@H](C)C1 ZINC000488448973 393518453 /nfs/dbraw/zinc/51/84/53/393518453.db2.gz MMLVHIDJOXFPKS-CPFNUKBASA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430125666 393526830 /nfs/dbraw/zinc/52/68/30/393526830.db2.gz CLQMYPYAVVESJI-PKOBYXMFSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430125666 393526834 /nfs/dbraw/zinc/52/68/34/393526834.db2.gz CLQMYPYAVVESJI-PKOBYXMFSA-N 2 1 286.463 3.283 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430125666 393526837 /nfs/dbraw/zinc/52/68/37/393526837.db2.gz CLQMYPYAVVESJI-PKOBYXMFSA-N 2 1 286.463 3.283 20 0 CGADMP CCc1cccc(Cl)c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430151911 393530492 /nfs/dbraw/zinc/53/04/92/393530492.db2.gz VVHUTPZMHIPFAL-QGZVFWFLSA-N 2 1 292.854 3.430 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430151911 393530494 /nfs/dbraw/zinc/53/04/94/393530494.db2.gz VVHUTPZMHIPFAL-QGZVFWFLSA-N 2 1 292.854 3.430 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430151911 393530497 /nfs/dbraw/zinc/53/04/97/393530497.db2.gz VVHUTPZMHIPFAL-QGZVFWFLSA-N 2 1 292.854 3.430 20 0 CGADMP CCc1cccc(Cl)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430151911 393530503 /nfs/dbraw/zinc/53/05/03/393530503.db2.gz VVHUTPZMHIPFAL-QGZVFWFLSA-N 2 1 292.854 3.430 20 0 CGADMP CCc1cccc(Cl)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430151911 393530509 /nfs/dbraw/zinc/53/05/09/393530509.db2.gz VVHUTPZMHIPFAL-QGZVFWFLSA-N 2 1 292.854 3.430 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000430552823 393574780 /nfs/dbraw/zinc/57/47/80/393574780.db2.gz BUUUHIYTDBQACH-HOTGVXAUSA-N 2 1 292.492 3.455 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666770298 542814690 /nfs/dbraw/zinc/81/46/90/542814690.db2.gz RTOSOYRCWPWQOW-WBVHZDCISA-N 2 1 260.425 3.048 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC2(C)C)([NH+](C)C)C1 ZINC000310931667 296494196 /nfs/dbraw/zinc/49/41/96/296494196.db2.gz LTMYPBICSPQRHG-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP Clc1oc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856441 542821049 /nfs/dbraw/zinc/82/10/49/542821049.db2.gz ILWJPEUBLPGFID-LLVKDONJSA-N 2 1 278.783 3.318 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000421320611 393604110 /nfs/dbraw/zinc/60/41/10/393604110.db2.gz AOWRVUSWFVODFM-CQSZACIVSA-N 2 1 283.419 3.495 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432366670 393605893 /nfs/dbraw/zinc/60/58/93/393605893.db2.gz GHEWFIHPOGBCQE-RCCFBDPRSA-N 2 1 294.483 3.069 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000432368294 393607409 /nfs/dbraw/zinc/60/74/09/393607409.db2.gz PKDQGVUBNODTLP-RCCFBDPRSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000430707470 393589161 /nfs/dbraw/zinc/58/91/61/393589161.db2.gz GONVLDYIIRGNBS-IMJJTQAJSA-N 2 1 250.430 3.053 20 0 CGADMP C[N@@H+](CCSCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000430745657 393591526 /nfs/dbraw/zinc/59/15/26/393591526.db2.gz YSVHIDJYROJUKL-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP C[NH+](CCSCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000430745657 393591531 /nfs/dbraw/zinc/59/15/31/393591531.db2.gz YSVHIDJYROJUKL-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP C[NH+](CCSCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000430745657 393591533 /nfs/dbraw/zinc/59/15/33/393591533.db2.gz YSVHIDJYROJUKL-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP CCCC[C@@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414308 393610998 /nfs/dbraw/zinc/61/09/98/393610998.db2.gz KORDFYKYGWUWOL-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[C@@H](CC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414308 393611000 /nfs/dbraw/zinc/61/10/00/393611000.db2.gz KORDFYKYGWUWOL-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418708 393612001 /nfs/dbraw/zinc/61/20/01/393612001.db2.gz UUGGZNBGFBUOTQ-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418708 393612003 /nfs/dbraw/zinc/61/20/03/393612003.db2.gz UUGGZNBGFBUOTQ-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000360921770 393615799 /nfs/dbraw/zinc/61/57/99/393615799.db2.gz JCJLCUWVJQSYBW-LLDVTBCESA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000360921770 393615801 /nfs/dbraw/zinc/61/58/01/393615801.db2.gz JCJLCUWVJQSYBW-LLDVTBCESA-N 2 1 290.426 3.392 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C1CCCCC1 ZINC000423272110 393657713 /nfs/dbraw/zinc/65/77/13/393657713.db2.gz YLOMWQXWLKYONJ-XHSDSOJGSA-N 2 1 250.430 3.062 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CCS2 ZINC000423313356 393661103 /nfs/dbraw/zinc/66/11/03/393661103.db2.gz FOYIUTCFMRAKNM-GJZGRUSLSA-N 2 1 276.449 3.167 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCS2 ZINC000423313355 393661440 /nfs/dbraw/zinc/66/14/40/393661440.db2.gz FOYIUTCFMRAKNM-CABCVRRESA-N 2 1 276.449 3.167 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC[NH2+]1 ZINC000423364899 393663576 /nfs/dbraw/zinc/66/35/76/393663576.db2.gz BMLFUMTXUPJWRY-LSCVPOLPSA-N 2 1 282.478 3.404 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423477632 393670225 /nfs/dbraw/zinc/67/02/25/393670225.db2.gz MKTKZNSUXDSUIJ-CVEARBPZSA-N 2 1 296.405 3.088 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000423507844 393671549 /nfs/dbraw/zinc/67/15/49/393671549.db2.gz IPPCSWFPXZRADS-HZPDHXFCSA-N 2 1 252.446 3.452 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000423507842 393672110 /nfs/dbraw/zinc/67/21/10/393672110.db2.gz IPPCSWFPXZRADS-CVEARBPZSA-N 2 1 252.446 3.452 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423529571 393672437 /nfs/dbraw/zinc/67/24/37/393672437.db2.gz OPYHEGLOTLWSEE-AAEUAGOBSA-N 2 1 252.427 3.225 20 0 CGADMP CC(C[NH+]1CC[C@H](C2CC2)C1)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000491232908 393674298 /nfs/dbraw/zinc/67/42/98/393674298.db2.gz UTVIFXVFDAIYFI-ROUUACIJSA-N 2 1 276.468 3.086 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000443079100 393742968 /nfs/dbraw/zinc/74/29/68/393742968.db2.gz YRIRKIADXAWTHO-INIZCTEOSA-N 2 1 298.430 3.279 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361173931 393693123 /nfs/dbraw/zinc/69/31/23/393693123.db2.gz OZARKUMVBZXWCG-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cc2c(c[nH+]1)CCCC2 ZINC000361185620 393696915 /nfs/dbraw/zinc/69/69/15/393696915.db2.gz HKUHCNDIZPLQRL-DVOMOZLQSA-N 2 1 273.424 3.101 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cc2c(c[nH+]1)CCCC2 ZINC000361185620 393696918 /nfs/dbraw/zinc/69/69/18/393696918.db2.gz HKUHCNDIZPLQRL-DVOMOZLQSA-N 2 1 273.424 3.101 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCSC2CCCCC2)CC1 ZINC000500142366 393819045 /nfs/dbraw/zinc/81/90/45/393819045.db2.gz WKWPMQKSOLCWFZ-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCSC2CCCCC2)CC1 ZINC000500142366 393819052 /nfs/dbraw/zinc/81/90/52/393819052.db2.gz WKWPMQKSOLCWFZ-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]c2ccccc12 ZINC000500410096 393826487 /nfs/dbraw/zinc/82/64/87/393826487.db2.gz QYHOEELXYZWKJR-OAHLLOKOSA-N 2 1 283.419 3.333 20 0 CGADMP Clc1ccsc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995181 542832268 /nfs/dbraw/zinc/83/22/68/542832268.db2.gz FLOQVGWTKFXYCO-SNVBAGLBSA-N 2 1 270.829 3.166 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000502697694 393883204 /nfs/dbraw/zinc/88/32/04/393883204.db2.gz PYLPCOBOEZEQSB-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H](CCc1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561654 393903738 /nfs/dbraw/zinc/90/37/38/393903738.db2.gz WQTYMPZMQJMTMM-UXDRXVOSSA-N 2 1 286.463 3.470 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560377 393903881 /nfs/dbraw/zinc/90/38/81/393903881.db2.gz KDCNWGNWBHIEJX-UCHQMPSGSA-N 2 1 262.441 3.194 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560968 393904048 /nfs/dbraw/zinc/90/40/48/393904048.db2.gz REOXUESBSKWYFN-AQBKWJQSSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561420 393904064 /nfs/dbraw/zinc/90/40/64/393904064.db2.gz USBCNJNIEPVUAY-HNSVSWJLSA-N 2 1 250.430 3.336 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000501421841 393851945 /nfs/dbraw/zinc/85/19/45/393851945.db2.gz JSANLGPEZUYLSV-ZWOQHNGQSA-N 2 1 270.420 3.306 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000501421841 393851949 /nfs/dbraw/zinc/85/19/49/393851949.db2.gz JSANLGPEZUYLSV-ZWOQHNGQSA-N 2 1 270.420 3.306 20 0 CGADMP CCC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C(C)(C)C ZINC000453092568 394168678 /nfs/dbraw/zinc/16/86/78/394168678.db2.gz DULUJRBGZLYHKL-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453416352 394240247 /nfs/dbraw/zinc/24/02/47/394240247.db2.gz XIFROECGRQNKNZ-CYBMUJFWSA-N 2 1 264.413 3.367 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453590846 394252672 /nfs/dbraw/zinc/25/26/72/394252672.db2.gz BZBSDKMUEZUXAO-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP CC[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667655263 542907422 /nfs/dbraw/zinc/90/74/22/542907422.db2.gz AFDCCQGXSSNBJZ-HNNXBMFYSA-N 2 1 284.407 3.279 20 0 CGADMP CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667655263 542907425 /nfs/dbraw/zinc/90/74/25/542907425.db2.gz AFDCCQGXSSNBJZ-HNNXBMFYSA-N 2 1 284.407 3.279 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)n1C ZINC000667960319 542950308 /nfs/dbraw/zinc/95/03/08/542950308.db2.gz JVQYTAMUNNGUQJ-DVQDXYAYSA-N 2 1 281.403 3.406 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000670262771 543146403 /nfs/dbraw/zinc/14/64/03/543146403.db2.gz JODPMDMXKSPDFQ-CQSZACIVSA-N 2 1 254.462 3.475 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423242363 292088711 /nfs/dbraw/zinc/08/87/11/292088711.db2.gz VMUJIVMSFSISQO-ZBFHGGJFSA-N 2 1 258.409 3.022 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)(C)c1ccccc1 ZINC000671246815 543164989 /nfs/dbraw/zinc/16/49/89/543164989.db2.gz OMMJMVVFXFVWLO-MRXNPFEDSA-N 2 1 260.425 3.338 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)(C)c1ccccc1 ZINC000671246815 543164990 /nfs/dbraw/zinc/16/49/90/543164990.db2.gz OMMJMVVFXFVWLO-MRXNPFEDSA-N 2 1 260.425 3.338 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000671246815 543164992 /nfs/dbraw/zinc/16/49/92/543164992.db2.gz OMMJMVVFXFVWLO-MRXNPFEDSA-N 2 1 260.425 3.338 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000106868495 397652024 /nfs/dbraw/zinc/65/20/24/397652024.db2.gz RUOIUHCAOYUBMG-IAGOWNOFSA-N 2 1 258.409 3.020 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@H+](C)CCc1cncn1C ZINC000649820229 397728384 /nfs/dbraw/zinc/72/83/84/397728384.db2.gz WTKRQDIVHRJLPY-UHFFFAOYSA-N 2 1 297.402 3.458 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000187887716 397662017 /nfs/dbraw/zinc/66/20/17/397662017.db2.gz RSYXHSHCVRIYAV-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@@H](CC1CCOCC1)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352541358 397685310 /nfs/dbraw/zinc/68/53/10/397685310.db2.gz WZSHFCQALRVMML-INIZCTEOSA-N 2 1 296.499 3.280 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000394893304 397696516 /nfs/dbraw/zinc/69/65/16/397696516.db2.gz ZBUDIPFWNMYWBJ-OAHLLOKOSA-N 2 1 260.425 3.459 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)CC)[C@H](C)C1 ZINC000674305648 543280513 /nfs/dbraw/zinc/28/05/13/543280513.db2.gz NBMDWSTZMJOCOG-CABCVRRESA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000650710281 397898058 /nfs/dbraw/zinc/89/80/58/397898058.db2.gz KXIWIGMVTFDRII-KBPBESRZSA-N 2 1 292.854 3.301 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc2cccnc12 ZINC000650711117 397898765 /nfs/dbraw/zinc/89/87/65/397898765.db2.gz JFIOAQBRTHPYIJ-KBXCAEBGSA-N 2 1 297.446 3.493 20 0 CGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCC2CCCCC2)C1 ZINC000650724134 397902599 /nfs/dbraw/zinc/90/25/99/397902599.db2.gz YPROEEFAFLLPLA-KZNAEPCWSA-N 2 1 294.483 3.318 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCc2sccc2C1 ZINC000675495643 543344163 /nfs/dbraw/zinc/34/41/63/543344163.db2.gz HWUZLTUGIHPHGK-HNNXBMFYSA-N 2 1 278.465 3.371 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882565 543370270 /nfs/dbraw/zinc/37/02/70/543370270.db2.gz RTXQCOKUNIQIRB-WMZOPIPTSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1nc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(C)s1 ZINC000676491644 543400055 /nfs/dbraw/zinc/40/00/55/543400055.db2.gz IAYAHIKPDHBYFG-NSHDSACASA-N 2 1 292.452 3.396 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1C2CC3CC(C2)CC1C3 ZINC000677237958 543440862 /nfs/dbraw/zinc/44/08/62/543440862.db2.gz RYIRXXFVSYPSMZ-WKZQYRDASA-N 2 1 288.479 3.275 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677128920 543434446 /nfs/dbraw/zinc/43/44/46/543434446.db2.gz BQSMIKQKCDCOAU-MRXNPFEDSA-N 2 1 282.378 3.272 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677128920 543434448 /nfs/dbraw/zinc/43/44/48/543434448.db2.gz BQSMIKQKCDCOAU-MRXNPFEDSA-N 2 1 282.378 3.272 20 0 CGADMP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678271130 543507135 /nfs/dbraw/zinc/50/71/35/543507135.db2.gz OREGHIHWWPMZKS-WBVHZDCISA-N 2 1 290.451 3.247 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)C)[C@@H](C)C1 ZINC000483133214 286064390 /nfs/dbraw/zinc/06/43/90/286064390.db2.gz HLJHXNREKCEVOK-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C12CCCCC2 ZINC000423494252 286292515 /nfs/dbraw/zinc/29/25/15/286292515.db2.gz AJGRZSUNPDYGKW-BRWVUGGUSA-N 2 1 294.483 3.221 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000555002684 289323876 /nfs/dbraw/zinc/32/38/76/289323876.db2.gz KHKDEFXNZKSWBJ-OAGGEKHMSA-N 2 1 262.441 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000555002684 289323877 /nfs/dbraw/zinc/32/38/77/289323877.db2.gz KHKDEFXNZKSWBJ-OAGGEKHMSA-N 2 1 262.441 3.497 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)s1 ZINC000346827154 292267144 /nfs/dbraw/zinc/26/71/44/292267144.db2.gz FXNJHBPEKBZKAD-ZIAGYGMSSA-N 2 1 264.438 3.193 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C12CCCC2 ZINC000246982034 286398678 /nfs/dbraw/zinc/39/86/78/286398678.db2.gz IXFVDDRMBXFCHH-VVLHAWIVSA-N 2 1 294.483 3.044 20 0 CGADMP CSCC1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000423261523 286662232 /nfs/dbraw/zinc/66/22/32/286662232.db2.gz JZUWECHIBRHTBE-AVVWSFFYSA-N 2 1 284.513 3.405 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc2c(s1)CCC2 ZINC000423501062 287064454 /nfs/dbraw/zinc/06/44/54/287064454.db2.gz KXBSWUIINGXMSP-BXUZGUMPSA-N 2 1 278.465 3.405 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423192625 287067607 /nfs/dbraw/zinc/06/76/07/287067607.db2.gz PVXSONWMXHHZRI-XVSSEFHLSA-N 2 1 278.362 3.085 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cccc2C)C1 ZINC000081516664 287073688 /nfs/dbraw/zinc/07/36/88/287073688.db2.gz BYSOEWBMDUMSSZ-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000081516664 287073692 /nfs/dbraw/zinc/07/36/92/287073692.db2.gz BYSOEWBMDUMSSZ-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000081516664 287073693 /nfs/dbraw/zinc/07/36/93/287073693.db2.gz BYSOEWBMDUMSSZ-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)cc1 ZINC000072957063 165076028 /nfs/dbraw/zinc/07/60/28/165076028.db2.gz GQHFMINIHQMRQY-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)cc1 ZINC000072957063 165076031 /nfs/dbraw/zinc/07/60/31/165076031.db2.gz GQHFMINIHQMRQY-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000072957063 165076034 /nfs/dbraw/zinc/07/60/34/165076034.db2.gz GQHFMINIHQMRQY-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1 ZINC000072957063 165076038 /nfs/dbraw/zinc/07/60/38/165076038.db2.gz GQHFMINIHQMRQY-MRXNPFEDSA-N 2 1 264.388 3.132 20 0 CGADMP CSCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109895 165112383 /nfs/dbraw/zinc/11/23/83/165112383.db2.gz SLOYLJYCJNZYJH-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP CSCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109895 165112385 /nfs/dbraw/zinc/11/23/85/165112385.db2.gz SLOYLJYCJNZYJH-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP CSCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109895 165112386 /nfs/dbraw/zinc/11/23/86/165112386.db2.gz SLOYLJYCJNZYJH-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc3ccccc3o2)[C@H](C)C1 ZINC000090076549 165224626 /nfs/dbraw/zinc/22/46/26/165224626.db2.gz MQXXVMKZBXEECA-PBHICJAKSA-N 2 1 286.419 3.295 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000091670691 165265108 /nfs/dbraw/zinc/26/51/08/165265108.db2.gz IHJWJCZLIKOLNR-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CC=CCC1 ZINC000093659929 165333461 /nfs/dbraw/zinc/33/34/61/165333461.db2.gz PIYWDKANDVVIIP-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CC=CCC1 ZINC000093659929 165333464 /nfs/dbraw/zinc/33/34/64/165333464.db2.gz PIYWDKANDVVIIP-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CC=CCC1 ZINC000093659929 165333467 /nfs/dbraw/zinc/33/34/67/165333467.db2.gz PIYWDKANDVVIIP-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336604403 287128536 /nfs/dbraw/zinc/12/85/36/287128536.db2.gz XAVMZJSBMGHXEQ-LBPRGKRZSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131757317 287135003 /nfs/dbraw/zinc/13/50/03/287135003.db2.gz MWXJWOKGMVFBMO-OUAUKWLOSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131757317 287135004 /nfs/dbraw/zinc/13/50/04/287135004.db2.gz MWXJWOKGMVFBMO-OUAUKWLOSA-N 2 1 270.779 3.209 20 0 CGADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCC[NH+](C)C ZINC000121766671 287203145 /nfs/dbraw/zinc/20/31/45/287203145.db2.gz PYXXZGUPJWEYQK-OAHLLOKOSA-N 2 1 296.842 3.403 20 0 CGADMP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000284522704 196076466 /nfs/dbraw/zinc/07/64/66/196076466.db2.gz WRHDSPLDCWAABO-GOSISDBHSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([NH3+])CC1 ZINC000020521460 171234973 /nfs/dbraw/zinc/23/49/73/171234973.db2.gz GTEQPNFVORADGZ-AWEZNQCLSA-N 2 1 252.789 3.214 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000035054384 171956474 /nfs/dbraw/zinc/95/64/74/171956474.db2.gz UWQBSOGKCYEAQQ-CQSZACIVSA-N 2 1 258.409 3.007 20 0 CGADMP Fc1cccc2c1SCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000037229546 173050472 /nfs/dbraw/zinc/05/04/72/173050472.db2.gz YZLQIYRLUGSKQA-OAHLLOKOSA-N 2 1 294.439 3.438 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)ccc2[nH]1 ZINC000285720266 196378002 /nfs/dbraw/zinc/37/80/02/196378002.db2.gz QCCYRWVXYOEZGI-WPKBUWHJSA-N 2 1 285.435 3.295 20 0 CGADMP FCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285741955 196384242 /nfs/dbraw/zinc/38/42/42/196384242.db2.gz YDUXNFUZLJOJTL-GOSISDBHSA-N 2 1 290.426 3.334 20 0 CGADMP FCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285741955 196384243 /nfs/dbraw/zinc/38/42/43/196384243.db2.gz YDUXNFUZLJOJTL-GOSISDBHSA-N 2 1 290.426 3.334 20 0 CGADMP FCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285741955 196384245 /nfs/dbraw/zinc/38/42/45/196384245.db2.gz YDUXNFUZLJOJTL-GOSISDBHSA-N 2 1 290.426 3.334 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408187 173183849 /nfs/dbraw/zinc/18/38/49/173183849.db2.gz BNPKCEAACWUZKH-GFCCVEGCSA-N 2 1 298.352 3.279 20 0 CGADMP CC(C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037408443 173184286 /nfs/dbraw/zinc/18/42/86/173184286.db2.gz RYQKFGBFRJLOQQ-UHFFFAOYSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@H+](Cc1ccccc1OC(F)F)C1CC[NH2+]CC1 ZINC000037539111 173259730 /nfs/dbraw/zinc/25/97/30/173259730.db2.gz VXPLUGBWBGBOPL-UHFFFAOYSA-N 2 1 298.377 3.252 20 0 CGADMP CCC[N@@H+](Cc1ccccc1OC(F)F)C1CC[NH2+]CC1 ZINC000037539111 173259732 /nfs/dbraw/zinc/25/97/32/173259732.db2.gz VXPLUGBWBGBOPL-UHFFFAOYSA-N 2 1 298.377 3.252 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000038098116 174113186 /nfs/dbraw/zinc/11/31/86/174113186.db2.gz IUPBKDHRTQHQFO-OAHLLOKOSA-N 2 1 290.451 3.090 20 0 CGADMP Cc1cc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)ccc1C(C)C ZINC000044531038 175195864 /nfs/dbraw/zinc/19/58/64/175195864.db2.gz WXWDIBBTWATSCH-MRXNPFEDSA-N 2 1 290.451 3.168 20 0 CGADMP CC[C@@H]1C[C@H](C[N@@H+](CCC[NH3+])CC2CCCC2)CCO1 ZINC000352525659 287302763 /nfs/dbraw/zinc/30/27/63/287302763.db2.gz HYIYGWLXMWDZPI-IAGOWNOFSA-N 2 1 282.472 3.033 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(C(C)C)c(C)c2)C1 ZINC000071145271 176041788 /nfs/dbraw/zinc/04/17/88/176041788.db2.gz WHDMHFNTQFQBNJ-MRXNPFEDSA-N 2 1 290.451 3.039 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCCC2CCOCC2)[C@H]1CC[NH3+] ZINC000404258717 416552949 /nfs/dbraw/zinc/55/29/49/416552949.db2.gz CJAQKKDCXDGYBR-RDJZCZTQSA-N 2 1 282.472 3.033 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404309922 416552987 /nfs/dbraw/zinc/55/29/87/416552987.db2.gz JXPHUUVEHFUOEQ-WMLDXEAASA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2sccc2Cl)[C@H]1CC[NH3+] ZINC000404306967 416553079 /nfs/dbraw/zinc/55/30/79/416553079.db2.gz SOJRCUXHVDYFBI-PWSUYJOCSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2sccc2Cl)[C@H]1CC[NH3+] ZINC000404306967 416553081 /nfs/dbraw/zinc/55/30/81/416553081.db2.gz SOJRCUXHVDYFBI-PWSUYJOCSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)[C@@H]1CC[NH3+] ZINC000404426031 416554946 /nfs/dbraw/zinc/55/49/46/416554946.db2.gz LTNCBUUCHZBVBM-GDBMZVCRSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@@H]1CC[NH3+] ZINC000404426031 416554952 /nfs/dbraw/zinc/55/49/52/416554952.db2.gz LTNCBUUCHZBVBM-GDBMZVCRSA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCc2ccccc21 ZINC000404885949 416559529 /nfs/dbraw/zinc/55/95/29/416559529.db2.gz INUTUHXFBUJIPT-OAHLLOKOSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000129639585 287336857 /nfs/dbraw/zinc/33/68/57/287336857.db2.gz YNNZRHIKLBSZKB-LBDPXKHJSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000129639585 287336858 /nfs/dbraw/zinc/33/68/58/287336858.db2.gz YNNZRHIKLBSZKB-LBDPXKHJSA-N 2 1 252.446 3.131 20 0 CGADMP C[NH2+]CCC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000129783696 287339259 /nfs/dbraw/zinc/33/92/59/287339259.db2.gz AVBNDDVRXZMLPH-UHFFFAOYSA-N 2 1 266.388 3.298 20 0 CGADMP Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721122 543657501 /nfs/dbraw/zinc/65/75/01/543657501.db2.gz IJLHIENGNNFPBT-DOTOQJQBSA-N 2 1 287.451 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC000130916955 287366108 /nfs/dbraw/zinc/36/61/08/287366108.db2.gz IQIIKHBFDJIGLX-GDBMZVCRSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000132130830 287397809 /nfs/dbraw/zinc/39/78/09/287397809.db2.gz OQBXMRCROYVWPR-JTQLQIEISA-N 2 1 288.357 3.342 20 0 CGADMP CC(C)(C)[N@H+]1CCCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684572393 544015094 /nfs/dbraw/zinc/01/50/94/544015094.db2.gz YBHFCANJZKLPOI-UHFFFAOYSA-N 2 1 299.418 3.251 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684376468 543988258 /nfs/dbraw/zinc/98/82/58/543988258.db2.gz ARTJSAVCBFMIOW-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684376468 543988259 /nfs/dbraw/zinc/98/82/59/543988259.db2.gz ARTJSAVCBFMIOW-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(C)C)C2)s1 ZINC000685412633 544065709 /nfs/dbraw/zinc/06/57/09/544065709.db2.gz UJKGNXAEBKWENB-HNNXBMFYSA-N 2 1 280.481 3.466 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(C)C)C2)s1 ZINC000685412633 544065711 /nfs/dbraw/zinc/06/57/11/544065711.db2.gz UJKGNXAEBKWENB-HNNXBMFYSA-N 2 1 280.481 3.466 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(C)C)C2)s1 ZINC000685412633 544065714 /nfs/dbraw/zinc/06/57/14/544065714.db2.gz UJKGNXAEBKWENB-HNNXBMFYSA-N 2 1 280.481 3.466 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(C)C)C2)s1 ZINC000685412633 544065717 /nfs/dbraw/zinc/06/57/17/544065717.db2.gz UJKGNXAEBKWENB-HNNXBMFYSA-N 2 1 280.481 3.466 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000685462825 544076352 /nfs/dbraw/zinc/07/63/52/544076352.db2.gz NWCUSFDJZZBNCH-GOEBONIOSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2cnccc2c1 ZINC000685470268 544077700 /nfs/dbraw/zinc/07/77/00/544077700.db2.gz CROXAUIGOYJNFH-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2cnccc2c1 ZINC000685470268 544077703 /nfs/dbraw/zinc/07/77/03/544077703.db2.gz CROXAUIGOYJNFH-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2cnccc2c1 ZINC000685470268 544077704 /nfs/dbraw/zinc/07/77/04/544077704.db2.gz CROXAUIGOYJNFH-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000685470268 544077707 /nfs/dbraw/zinc/07/77/07/544077707.db2.gz CROXAUIGOYJNFH-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000685666066 544094012 /nfs/dbraw/zinc/09/40/12/544094012.db2.gz QVIASFADZJAORC-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000685666066 544094013 /nfs/dbraw/zinc/09/40/13/544094013.db2.gz QVIASFADZJAORC-VNQPRFMTSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000685849254 544102501 /nfs/dbraw/zinc/10/25/01/544102501.db2.gz BDFKKOMXLKBSBN-HZPDHXFCSA-N 2 1 290.451 3.263 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000685849254 544102502 /nfs/dbraw/zinc/10/25/02/544102502.db2.gz BDFKKOMXLKBSBN-HZPDHXFCSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000251645675 287489179 /nfs/dbraw/zinc/48/91/79/287489179.db2.gz FIPXNIJANOHMJL-WWGRRREGSA-N 2 1 250.430 3.028 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3cccc(OC)c3)CCC2)CC1 ZINC000658323911 418935194 /nfs/dbraw/zinc/93/51/94/418935194.db2.gz UBXBUHFCCBUBCZ-UHFFFAOYSA-N 2 1 288.435 3.148 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000652220452 418936633 /nfs/dbraw/zinc/93/66/33/418936633.db2.gz AODUDYIDGCONNR-CQSZACIVSA-N 2 1 292.423 3.044 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000652220452 418936634 /nfs/dbraw/zinc/93/66/34/418936634.db2.gz AODUDYIDGCONNR-CQSZACIVSA-N 2 1 292.423 3.044 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000652221958 418936669 /nfs/dbraw/zinc/93/66/69/418936669.db2.gz AUBYDZFVBGXHFR-QGZVFWFLSA-N 2 1 290.451 3.337 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000652221958 418936671 /nfs/dbraw/zinc/93/66/71/418936671.db2.gz AUBYDZFVBGXHFR-QGZVFWFLSA-N 2 1 290.451 3.337 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000652222765 418938235 /nfs/dbraw/zinc/93/82/35/418938235.db2.gz XCHFYSCNVNXWEA-MRXNPFEDSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000652238176 418939817 /nfs/dbraw/zinc/93/98/17/418939817.db2.gz WFNLJRTZLASCIU-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCc2ccsc2)[C@H]1CC[NH3+] ZINC000652356017 418955959 /nfs/dbraw/zinc/95/59/59/418955959.db2.gz QFXRZDSUBDVVOI-HIFRSBDPSA-N 2 1 266.454 3.130 20 0 CGADMP Fc1ccccc1C[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000652358576 418956093 /nfs/dbraw/zinc/95/60/93/418956093.db2.gz SZJSRYYIOULESP-RDJZCZTQSA-N 2 1 290.426 3.222 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000652352803 418956338 /nfs/dbraw/zinc/95/63/38/418956338.db2.gz YHIGAKLZITZNKV-ZLIFDBKOSA-N 2 1 290.838 3.388 20 0 CGADMP CSc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000659945425 419041446 /nfs/dbraw/zinc/04/14/46/419041446.db2.gz BXPSUFBGOAVYHF-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000659945425 419041450 /nfs/dbraw/zinc/04/14/50/419041450.db2.gz BXPSUFBGOAVYHF-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000659945425 419041454 /nfs/dbraw/zinc/04/14/54/419041454.db2.gz BXPSUFBGOAVYHF-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000653558597 419047498 /nfs/dbraw/zinc/04/74/98/419047498.db2.gz LHYJSLXSOXVACG-OAHLLOKOSA-N 2 1 264.457 3.230 20 0 CGADMP c1ccc2c(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)cc[nH+]c2c1 ZINC000664678313 418993023 /nfs/dbraw/zinc/99/30/23/418993023.db2.gz HBWJCERCEIXQRZ-INIZCTEOSA-N 2 1 295.430 3.191 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1C ZINC000665245824 419089857 /nfs/dbraw/zinc/08/98/57/419089857.db2.gz RZCOPZDOUJCRLS-AWEZNQCLSA-N 2 1 269.392 3.004 20 0 CGADMP C[C@@H](CC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253164 419094172 /nfs/dbraw/zinc/09/41/72/419094172.db2.gz IOMCQZFVZUFBPW-FABXCBLPSA-N 2 1 294.389 3.189 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253621 419094439 /nfs/dbraw/zinc/09/44/39/419094439.db2.gz XOTITNVFEWHSOG-VJUNAUMWSA-N 2 1 276.399 3.049 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258914 419095110 /nfs/dbraw/zinc/09/51/10/419095110.db2.gz OZPBMEFLAOQLKV-BASLNEPJSA-N 2 1 276.399 3.049 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c2ccccc12 ZINC000665277205 419099157 /nfs/dbraw/zinc/09/91/57/419099157.db2.gz WOCLMXUWYZPKLF-VFPJAPOESA-N 2 1 296.414 3.251 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280283 419101445 /nfs/dbraw/zinc/10/14/45/419101445.db2.gz XVBAGBJTTVFUTA-KJFXSAIASA-N 2 1 270.420 3.213 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000665282076 419103567 /nfs/dbraw/zinc/10/35/67/419103567.db2.gz QDFNCEVCEMETIC-SJLPKXTDSA-N 2 1 283.419 3.134 20 0 CGADMP C[C@H]([NH2+]CC1CC=CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220977 419104910 /nfs/dbraw/zinc/10/49/10/419104910.db2.gz NSLYHTRTUALEMI-LPHOPBHVSA-N 2 1 284.447 3.453 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000665298658 419110481 /nfs/dbraw/zinc/11/04/81/419110481.db2.gz ZLWQQWSGNIICRX-KGLIPLIRSA-N 2 1 287.451 3.422 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659975451 419050875 /nfs/dbraw/zinc/05/08/75/419050875.db2.gz LOOXXPABHIBOIR-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000660084300 419074702 /nfs/dbraw/zinc/07/47/02/419074702.db2.gz YCGMYHCVXCKAFV-SZMVWBNQSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000660084300 419074705 /nfs/dbraw/zinc/07/47/05/419074705.db2.gz YCGMYHCVXCKAFV-SZMVWBNQSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000660084300 419074708 /nfs/dbraw/zinc/07/47/08/419074708.db2.gz YCGMYHCVXCKAFV-SZMVWBNQSA-N 2 1 296.499 3.244 20 0 CGADMP CSc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000660642534 419173550 /nfs/dbraw/zinc/17/35/50/419173550.db2.gz SJNIPLGWKCYDBS-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000660642534 419173553 /nfs/dbraw/zinc/17/35/53/419173553.db2.gz SJNIPLGWKCYDBS-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000660642534 419173555 /nfs/dbraw/zinc/17/35/55/419173555.db2.gz SJNIPLGWKCYDBS-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000660642534 419173557 /nfs/dbraw/zinc/17/35/57/419173557.db2.gz SJNIPLGWKCYDBS-QGZVFWFLSA-N 2 1 290.476 3.326 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C/C=C\c1ccccc1)C2 ZINC000660657144 419176401 /nfs/dbraw/zinc/17/64/01/419176401.db2.gz WAZJBBKFBXPPIB-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C/C=C\c1ccccc1)C2 ZINC000660657144 419176402 /nfs/dbraw/zinc/17/64/02/419176402.db2.gz WAZJBBKFBXPPIB-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C/C=C\c1ccccc1)C2 ZINC000660657144 419176405 /nfs/dbraw/zinc/17/64/05/419176405.db2.gz WAZJBBKFBXPPIB-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C/C=C\c1ccccc1)C2 ZINC000660657144 419176407 /nfs/dbraw/zinc/17/64/07/419176407.db2.gz WAZJBBKFBXPPIB-JIGZGPPQSA-N 2 1 270.420 3.118 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654773 419177464 /nfs/dbraw/zinc/17/74/64/419177464.db2.gz CRMBMKGRWDZOOZ-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654773 419177466 /nfs/dbraw/zinc/17/74/66/419177466.db2.gz CRMBMKGRWDZOOZ-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654773 419177469 /nfs/dbraw/zinc/17/74/69/419177469.db2.gz CRMBMKGRWDZOOZ-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP CC(C)(C)C1CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000656499684 419177490 /nfs/dbraw/zinc/17/74/90/419177490.db2.gz WHSJMKPLEBWIJV-PREGVCBESA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cnc3ccccc3c1)C2 ZINC000660663634 419179286 /nfs/dbraw/zinc/17/92/86/419179286.db2.gz ONRVPGICAZDNLC-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cnc3ccccc3c1)C2 ZINC000660663634 419179289 /nfs/dbraw/zinc/17/92/89/419179289.db2.gz ONRVPGICAZDNLC-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000660663634 419179293 /nfs/dbraw/zinc/17/92/93/419179293.db2.gz ONRVPGICAZDNLC-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cnc3ccccc3c1)C2 ZINC000660663634 419179295 /nfs/dbraw/zinc/17/92/95/419179295.db2.gz ONRVPGICAZDNLC-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666082901 419188097 /nfs/dbraw/zinc/18/80/97/419188097.db2.gz QWILRLCLAGBUKU-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666082898 419188373 /nfs/dbraw/zinc/18/83/73/419188373.db2.gz QWILRLCLAGBUKU-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666088900 419189222 /nfs/dbraw/zinc/18/92/22/419189222.db2.gz RYTUEOOFRUNXTQ-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)[nH]c2c1 ZINC000657374971 419263665 /nfs/dbraw/zinc/26/36/65/419263665.db2.gz BDEAJCJWNYZUOF-UKRRQHHQSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)[nH]c2c1 ZINC000657374971 419263666 /nfs/dbraw/zinc/26/36/66/419263666.db2.gz BDEAJCJWNYZUOF-UKRRQHHQSA-N 2 1 271.408 3.049 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccccc2C(F)(F)F)CCCC1 ZINC000656788738 419220474 /nfs/dbraw/zinc/22/04/74/419220474.db2.gz YIRUKRFSFDRAGC-UHFFFAOYSA-N 2 1 272.314 3.067 20 0 CGADMP CC[C@H](C)[N@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661102892 419228229 /nfs/dbraw/zinc/22/82/29/419228229.db2.gz BSMDEDKIFMZNHM-INIZCTEOSA-N 2 1 290.451 3.139 20 0 CGADMP CC[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661102892 419228232 /nfs/dbraw/zinc/22/82/32/419228232.db2.gz BSMDEDKIFMZNHM-INIZCTEOSA-N 2 1 290.451 3.139 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000657179329 419229767 /nfs/dbraw/zinc/22/97/67/419229767.db2.gz BBNOADWLHZGBKD-HUUCEWRRSA-N 2 1 280.481 3.391 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000657182624 419229834 /nfs/dbraw/zinc/22/98/34/419229834.db2.gz FRESPANHAWGCLS-INIZCTEOSA-N 2 1 274.452 3.286 20 0 CGADMP CCC1(CC)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000661674030 419285156 /nfs/dbraw/zinc/28/51/56/419285156.db2.gz YGYGYBJDMQWWPN-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CCC1(CC)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000661674030 419285157 /nfs/dbraw/zinc/28/51/57/419285157.db2.gz YGYGYBJDMQWWPN-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CCC1(CC)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000661674030 419285160 /nfs/dbraw/zinc/28/51/60/419285160.db2.gz YGYGYBJDMQWWPN-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](CC)C2CCCCC2)CO1 ZINC000657499514 419295112 /nfs/dbraw/zinc/29/51/12/419295112.db2.gz AVSVPIZLRYELJG-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657500236 419295190 /nfs/dbraw/zinc/29/51/90/419295190.db2.gz JRQVMNLHBAMJAC-UHFFFAOYSA-N 2 1 291.464 3.364 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662201504 419358570 /nfs/dbraw/zinc/35/85/70/419358570.db2.gz MJLXYKASKZKLFO-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662201504 419358574 /nfs/dbraw/zinc/35/85/74/419358574.db2.gz MJLXYKASKZKLFO-KRWDZBQOSA-N 2 1 275.440 3.484 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCOc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313008 419389537 /nfs/dbraw/zinc/38/95/37/419389537.db2.gz JGTWWCNXRWNCOP-SJLPKXTDSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)[C@@H]1CCC[NH3+] ZINC000662314057 419390659 /nfs/dbraw/zinc/39/06/59/419390659.db2.gz LXDLYUUKPRVXOS-MLGOLLRUSA-N 2 1 282.378 3.304 20 0 CGADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887172 419407185 /nfs/dbraw/zinc/40/71/85/419407185.db2.gz FMMKYPCHJAAWCS-GMXVVIOVSA-N 2 1 283.366 3.153 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887172 419407195 /nfs/dbraw/zinc/40/71/95/419407195.db2.gz FMMKYPCHJAAWCS-GMXVVIOVSA-N 2 1 283.366 3.153 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000662246906 419372214 /nfs/dbraw/zinc/37/22/14/419372214.db2.gz VJUGOQVKLOWZNX-OWYHZJEWSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000662246906 419372220 /nfs/dbraw/zinc/37/22/20/419372220.db2.gz VJUGOQVKLOWZNX-OWYHZJEWSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662266417 419374917 /nfs/dbraw/zinc/37/49/17/419374917.db2.gz YHLAXCLGRXQWPP-DZGCQCFKSA-N 2 1 260.425 3.153 20 0 CGADMP CC[N@@H+](C[C@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000662263158 419376029 /nfs/dbraw/zinc/37/60/29/419376029.db2.gz IBFUQVWBTRCKAX-KGLIPLIRSA-N 2 1 274.399 3.276 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CC[C@H]1[NH3+] ZINC000662271266 419379242 /nfs/dbraw/zinc/37/92/42/419379242.db2.gz UTHCSDDIPUXNNH-QLFBSQMISA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+]1CCCC1 ZINC000657834297 419379324 /nfs/dbraw/zinc/37/93/24/419379324.db2.gz RHRAUPWDCQMHAU-STQMWFEESA-N 2 1 276.415 3.376 20 0 CGADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000657837439 419381833 /nfs/dbraw/zinc/38/18/33/419381833.db2.gz FXNNUTNFCGZHJP-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C[C@@H]1C[NH3+] ZINC000662280132 419382076 /nfs/dbraw/zinc/38/20/76/419382076.db2.gz CTZOBAXAHPIZMF-OIISXLGYSA-N 2 1 272.436 3.023 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662294266 419384684 /nfs/dbraw/zinc/38/46/84/419384684.db2.gz JYHGHBPJKXRFAS-SNVBAGLBSA-N 2 1 285.229 3.179 20 0 CGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294266 419384691 /nfs/dbraw/zinc/38/46/91/419384691.db2.gz JYHGHBPJKXRFAS-SNVBAGLBSA-N 2 1 285.229 3.179 20 0 CGADMP CO[C@@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000662283119 419384877 /nfs/dbraw/zinc/38/48/77/419384877.db2.gz LHOFKTQGXLUCTC-WBVHZDCISA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662303810 419387432 /nfs/dbraw/zinc/38/74/32/419387432.db2.gz GZQPAXXJAVCVHE-WRSVWVKZSA-N 2 1 266.388 3.324 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCCC23CC3)[C@H](c2ccccc2)C1 ZINC000658041350 419518664 /nfs/dbraw/zinc/51/86/64/419518664.db2.gz BQGUJJPTZPELNA-FGTMMUONSA-N 2 1 284.447 3.254 20 0 CGADMP [NH3+]CC[C@@H]1CCCCN1c1cc[nH+]c2ccsc21 ZINC000663240145 419527024 /nfs/dbraw/zinc/52/70/24/419527024.db2.gz YGCHBRSTDWNBMA-NSHDSACASA-N 2 1 261.394 3.004 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2cnccc2o1 ZINC000658030451 419505444 /nfs/dbraw/zinc/50/54/44/419505444.db2.gz ZFLVEBFWSGULGT-JZIBPQBNSA-N 2 1 285.391 3.104 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2cnccc2o1 ZINC000658030451 419505453 /nfs/dbraw/zinc/50/54/53/419505453.db2.gz ZFLVEBFWSGULGT-JZIBPQBNSA-N 2 1 285.391 3.104 20 0 CGADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C(C)(C)C(F)F ZINC000658031081 419508989 /nfs/dbraw/zinc/50/89/89/419508989.db2.gz JDGIQPAOFFPONE-LLVKDONJSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C(C)(C)C(F)F ZINC000658031081 419508995 /nfs/dbraw/zinc/50/89/95/419508995.db2.gz JDGIQPAOFFPONE-LLVKDONJSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccoc1 ZINC000663467713 419620324 /nfs/dbraw/zinc/62/03/24/419620324.db2.gz HKKHRNKJANECDE-UKRRQHHQSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccoc1 ZINC000663467713 419620332 /nfs/dbraw/zinc/62/03/32/419620332.db2.gz HKKHRNKJANECDE-UKRRQHHQSA-N 2 1 262.397 3.052 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000663470670 419626149 /nfs/dbraw/zinc/62/61/49/419626149.db2.gz WGMXPNVBUCNNHC-DZGCQCFKSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(F)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000663504491 419641246 /nfs/dbraw/zinc/64/12/46/419641246.db2.gz YXRBRDVKEOSDBE-CQSZACIVSA-N 2 1 272.795 3.251 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(c3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000663476214 419629857 /nfs/dbraw/zinc/62/98/57/419629857.db2.gz YXOXHYNUCGQHPR-SUMDDJOVSA-N 2 1 286.463 3.427 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658229472 419691793 /nfs/dbraw/zinc/69/17/93/419691793.db2.gz DLVHNKBDDWNPEH-PQUAAJSLSA-N 2 1 294.483 3.331 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658229472 419691809 /nfs/dbraw/zinc/69/18/09/419691809.db2.gz DLVHNKBDDWNPEH-PQUAAJSLSA-N 2 1 294.483 3.331 20 0 CGADMP CCc1[nH+]ccn1[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663563814 419649068 /nfs/dbraw/zinc/64/90/68/419649068.db2.gz BPNLCYRPNYYWDI-ZDUSSCGKSA-N 2 1 295.390 3.163 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccoc1 ZINC000658201097 419655852 /nfs/dbraw/zinc/65/58/52/419655852.db2.gz QOGXKMWMVSYDKE-LPHOPBHVSA-N 2 1 298.430 3.322 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000658314096 419753677 /nfs/dbraw/zinc/75/36/77/419753677.db2.gz CLJIQHZFTKXTFX-AWEZNQCLSA-N 2 1 296.405 3.407 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191102593 287587319 /nfs/dbraw/zinc/58/73/19/287587319.db2.gz JEQLAJKLXWIKAZ-CQSZACIVSA-N 2 1 294.487 3.329 20 0 CGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCC4CC4)C[C@@H]3C2)cc1 ZINC000390811831 262348583 /nfs/dbraw/zinc/34/85/83/262348583.db2.gz WIDLFIXGXJEXNN-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC4CC4)C[C@@H]3C2)cc1 ZINC000390811831 262348584 /nfs/dbraw/zinc/34/85/84/262348584.db2.gz WIDLFIXGXJEXNN-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC4CC4)C[C@@H]3C2)cc1 ZINC000390811831 262348586 /nfs/dbraw/zinc/34/85/86/262348586.db2.gz WIDLFIXGXJEXNN-OALUTQOASA-N 2 1 284.447 3.240 20 0 CGADMP C[C@H]1CCC[C@](C[NH2+]C2CCCCC2)([NH+](C)C)C1 ZINC000040668504 270030076 /nfs/dbraw/zinc/03/00/76/270030076.db2.gz LGZLOQGYPNJPLV-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000045692169 270038785 /nfs/dbraw/zinc/03/87/85/270038785.db2.gz AHAGVLKIEKTBIY-BZOOQXSSSA-N 2 1 278.415 3.392 20 0 CGADMP C1C[C@@H]2C[C@@H]([NH2+]C3C4CC5CC(C4)CC3C5)CC[N@H+]2C1 ZINC000106868898 270049328 /nfs/dbraw/zinc/04/93/28/270049328.db2.gz VJOLCHNHPKZXQB-PBNGXKPNSA-N 2 1 274.452 3.028 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000184281761 270057872 /nfs/dbraw/zinc/05/78/72/270057872.db2.gz DWRZDTWBDHTFHZ-ULQDDVLXSA-N 2 1 289.467 3.409 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190177354 270073037 /nfs/dbraw/zinc/07/30/37/270073037.db2.gz DWALWTXDRMGIQJ-STQMWFEESA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190177354 270073038 /nfs/dbraw/zinc/07/30/38/270073038.db2.gz DWALWTXDRMGIQJ-STQMWFEESA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190177354 270073039 /nfs/dbraw/zinc/07/30/39/270073039.db2.gz DWALWTXDRMGIQJ-STQMWFEESA-N 2 1 292.389 3.381 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000218124079 270085388 /nfs/dbraw/zinc/08/53/88/270085388.db2.gz SSZUZROOOBZWFU-BPUTZDHNSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000218124079 270085389 /nfs/dbraw/zinc/08/53/89/270085389.db2.gz SSZUZROOOBZWFU-BPUTZDHNSA-N 2 1 250.430 3.172 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000223192470 270086222 /nfs/dbraw/zinc/08/62/22/270086222.db2.gz JCWPAMZCCDIZFO-ZIAGYGMSSA-N 2 1 266.404 3.077 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000223192533 270086333 /nfs/dbraw/zinc/08/63/33/270086333.db2.gz JCWPAMZCCDIZFO-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000228828247 270087979 /nfs/dbraw/zinc/08/79/79/270087979.db2.gz XLMWLYCEKOMESY-UHFFFAOYSA-N 2 1 260.425 3.254 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000228828247 270087980 /nfs/dbraw/zinc/08/79/80/270087980.db2.gz XLMWLYCEKOMESY-UHFFFAOYSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCc2sc(Cl)cc21 ZINC000229596457 270088508 /nfs/dbraw/zinc/08/85/08/270088508.db2.gz YXBNAHFWZMOBGC-ADEWGFFLSA-N 2 1 284.856 3.319 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000321963890 270093350 /nfs/dbraw/zinc/09/33/50/270093350.db2.gz ZAPZEJAJXPRFJW-LMSBXDPUSA-N 2 1 272.436 3.143 20 0 CGADMP C[C@H](CNc1cc[nH+]c2ccccc12)[N@H+]1CCC[C@@H](C)C1 ZINC000521090915 270100439 /nfs/dbraw/zinc/10/04/39/270100439.db2.gz ZTTLHDPYVCYUIJ-HUUCEWRRSA-N 2 1 283.419 3.189 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000521257565 270101433 /nfs/dbraw/zinc/10/14/33/270101433.db2.gz MHERPHXDSYWVPA-IMJJTQAJSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000521257565 270101434 /nfs/dbraw/zinc/10/14/34/270101434.db2.gz MHERPHXDSYWVPA-IMJJTQAJSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@@H](C[NH2+]C1CCC(CC)CC1)[NH+]1CCCC1 ZINC000525181055 270117646 /nfs/dbraw/zinc/11/76/46/270117646.db2.gz GTAWAMQGGWJHBU-GPANFISMSA-N 2 1 252.446 3.419 20 0 CGADMP FC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000525986152 270121682 /nfs/dbraw/zinc/12/16/82/270121682.db2.gz SBVAWSTZQVXBJV-ALOPSCKCSA-N 2 1 288.410 3.274 20 0 CGADMP FC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000525986152 270121683 /nfs/dbraw/zinc/12/16/83/270121683.db2.gz SBVAWSTZQVXBJV-ALOPSCKCSA-N 2 1 288.410 3.274 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000526106454 270123065 /nfs/dbraw/zinc/12/30/65/270123065.db2.gz WGVLJOJBQJGDKD-NJAFHUGGSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC1(F)CC1 ZINC000527219798 270126856 /nfs/dbraw/zinc/12/68/56/270126856.db2.gz MRIZDBCZGYGLBO-CQSZACIVSA-N 2 1 287.382 3.311 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CC23CC3)c1 ZINC000527859921 270140194 /nfs/dbraw/zinc/14/01/94/270140194.db2.gz SCEMDPNPDVUSBL-RHSMWYFYSA-N 2 1 272.436 3.417 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527921237 270144046 /nfs/dbraw/zinc/14/40/46/270144046.db2.gz QNSZCTMHGQXQFW-QAPCUYQASA-N 2 1 274.452 3.457 20 0 CGADMP CC(C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000527921772 270144358 /nfs/dbraw/zinc/14/43/58/270144358.db2.gz UYAINYOKHDIUSA-CRAIPNDOSA-N 2 1 274.452 3.315 20 0 CGADMP C[C@H](C[N@@H+](C)CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000530235549 270197054 /nfs/dbraw/zinc/19/70/54/270197054.db2.gz ZLBNHQYSANUVDT-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C[C@@H]1C ZINC000530460275 270200108 /nfs/dbraw/zinc/20/01/08/270200108.db2.gz GOWRWHKJKDAVGG-DZKIICNBSA-N 2 1 263.429 3.013 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1Cl ZINC000531962217 270211725 /nfs/dbraw/zinc/21/17/25/270211725.db2.gz ALHKXSYLZWXTQQ-NWDGAFQWSA-N 2 1 284.831 3.339 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)c1 ZINC000532522936 270216787 /nfs/dbraw/zinc/21/67/87/270216787.db2.gz IBWKTZGRLNBOOL-IPELMVKDSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)c1 ZINC000532522936 270216788 /nfs/dbraw/zinc/21/67/88/270216788.db2.gz IBWKTZGRLNBOOL-IPELMVKDSA-N 2 1 286.463 3.388 20 0 CGADMP C[C@H]1CC[N@H+](CCNCc2cccc(-c3ccccn3)c2)C1 ZINC000533038949 270221109 /nfs/dbraw/zinc/22/11/09/270221109.db2.gz WEDFJEQYFZBEJX-INIZCTEOSA-N 2 1 295.430 3.180 20 0 CGADMP C[C@H]1CC[N@@H+](CCNCc2cccc(-c3ccccn3)c2)C1 ZINC000533038949 270221110 /nfs/dbraw/zinc/22/11/10/270221110.db2.gz WEDFJEQYFZBEJX-INIZCTEOSA-N 2 1 295.430 3.180 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000037498296 273636046 /nfs/dbraw/zinc/63/60/46/273636046.db2.gz YROWNVYMOZGXKQ-ZDUSSCGKSA-N 2 1 274.412 3.485 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423359977 274216474 /nfs/dbraw/zinc/21/64/74/274216474.db2.gz DWKZIYLUUAZEAO-KBPBESRZSA-N 2 1 254.377 3.351 20 0 CGADMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[C@H]1[NH3+] ZINC000251718269 274596785 /nfs/dbraw/zinc/59/67/85/274596785.db2.gz JTYCUFYEHLRFFB-GXFFZTMASA-N 2 1 275.783 3.062 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000126482476 274882321 /nfs/dbraw/zinc/88/23/21/274882321.db2.gz OXRUKHSXDSVFDB-MRXNPFEDSA-N 2 1 290.838 3.024 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000415059107 275064333 /nfs/dbraw/zinc/06/43/33/275064333.db2.gz WPDKCPRJHBCSBC-MOPGFXCFSA-N 2 1 284.447 3.139 20 0 CGADMP C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CC1CCOCC1 ZINC000369204505 275390678 /nfs/dbraw/zinc/39/06/78/275390678.db2.gz OSCVVCDDZSJSEJ-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CC1CCOCC1 ZINC000449387501 275901502 /nfs/dbraw/zinc/90/15/02/275901502.db2.gz XNACKECUAXXTAC-WMZOPIPTSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453056001 276018219 /nfs/dbraw/zinc/01/82/19/276018219.db2.gz KGOVYPJXNWDAHR-KSZLIROESA-N 2 1 272.436 3.429 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000032558438 276149727 /nfs/dbraw/zinc/14/97/27/276149727.db2.gz WWTLBPSWIQDDHC-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000032558438 276149730 /nfs/dbraw/zinc/14/97/30/276149730.db2.gz WWTLBPSWIQDDHC-MRXNPFEDSA-N 2 1 264.457 3.373 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000449597872 276151105 /nfs/dbraw/zinc/15/11/05/276151105.db2.gz ZYUPZVKAOZWLJD-UHFFFAOYSA-N 2 1 272.436 3.008 20 0 CGADMP CC1CCC(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000093645104 276188656 /nfs/dbraw/zinc/18/86/56/276188656.db2.gz VDPIBNKAVUYPOG-KNIAUWFNSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000093645104 276188658 /nfs/dbraw/zinc/18/86/58/276188658.db2.gz VDPIBNKAVUYPOG-KNIAUWFNSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000093645104 276188659 /nfs/dbraw/zinc/18/86/59/276188659.db2.gz VDPIBNKAVUYPOG-KNIAUWFNSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000093645104 276188660 /nfs/dbraw/zinc/18/86/60/276188660.db2.gz VDPIBNKAVUYPOG-KNIAUWFNSA-N 2 1 252.446 3.227 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000353136110 276260251 /nfs/dbraw/zinc/26/02/51/276260251.db2.gz JUSMCHLYHHDQND-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000353136110 276260253 /nfs/dbraw/zinc/26/02/53/276260253.db2.gz JUSMCHLYHHDQND-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414824300 276266612 /nfs/dbraw/zinc/26/66/12/276266612.db2.gz JZSPSBZNVCEGOW-IAGOWNOFSA-N 2 1 260.425 3.302 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H](CC)C1)[NH+]1CCCC1 ZINC000462679898 276569637 /nfs/dbraw/zinc/56/96/37/276569637.db2.gz LRSFKCPJKIHQFS-OWCLPIDISA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000422922020 276638211 /nfs/dbraw/zinc/63/82/11/276638211.db2.gz PKHIVQTZMRHRSB-OZVIIMIRSA-N 2 1 282.378 3.394 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1C[C@H]1c1ccccc1)CC2 ZINC000361349159 277042321 /nfs/dbraw/zinc/04/23/21/277042321.db2.gz RYXBUDVKWIRZCV-MSOLQXFVSA-N 2 1 284.447 3.350 20 0 CGADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3ccsc32)C1 ZINC000192150138 277183425 /nfs/dbraw/zinc/18/34/25/277183425.db2.gz KDIZCHXJSLGPDB-OCCSQVGLSA-N 2 1 287.432 3.217 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3ccsc32)C1 ZINC000192150138 277183427 /nfs/dbraw/zinc/18/34/27/277183427.db2.gz KDIZCHXJSLGPDB-OCCSQVGLSA-N 2 1 287.432 3.217 20 0 CGADMP COC[C@]1(C[NH2+][C@@H]2CC[C@H](C)c3ccsc32)CCC[NH2+]1 ZINC000423411576 277609837 /nfs/dbraw/zinc/60/98/37/277609837.db2.gz GAFZTMYRYAEQBI-JGGQBBKZSA-N 2 1 294.464 3.045 20 0 CGADMP CC/C=C\CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000342251820 278165684 /nfs/dbraw/zinc/16/56/84/278165684.db2.gz RGLUCESEJSEPGG-AWFCHZOYSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C\CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000342251820 278165685 /nfs/dbraw/zinc/16/56/85/278165685.db2.gz RGLUCESEJSEPGG-AWFCHZOYSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C\CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000342251820 278165687 /nfs/dbraw/zinc/16/56/87/278165687.db2.gz RGLUCESEJSEPGG-AWFCHZOYSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528285 278195240 /nfs/dbraw/zinc/19/52/40/278195240.db2.gz YUQKIOVSWBJODW-JCECYMMASA-N 2 1 276.468 3.371 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528285 278195241 /nfs/dbraw/zinc/19/52/41/278195241.db2.gz YUQKIOVSWBJODW-JCECYMMASA-N 2 1 276.468 3.371 20 0 CGADMP C[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528285 278195242 /nfs/dbraw/zinc/19/52/42/278195242.db2.gz YUQKIOVSWBJODW-JCECYMMASA-N 2 1 276.468 3.371 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000397258914 288022185 /nfs/dbraw/zinc/02/21/85/288022185.db2.gz JHEJDPZSKOSZAL-XUJVJEKNSA-N 2 1 282.378 3.429 20 0 CGADMP C[C@H](C[NH2+][C@H](C)C1CCSCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249952057 278210093 /nfs/dbraw/zinc/21/00/93/278210093.db2.gz IVOMHDHCEJZTGC-RBSFLKMASA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H](C[NH2+][C@H](C)C1CCSCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000249952057 278210094 /nfs/dbraw/zinc/21/00/94/278210094.db2.gz IVOMHDHCEJZTGC-RBSFLKMASA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000397353287 288023089 /nfs/dbraw/zinc/02/30/89/288023089.db2.gz VFQGZJAQWGDIGG-DYEKYZERSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1Cc2ccccc2C1 ZINC000480665771 278255623 /nfs/dbraw/zinc/25/56/23/278255623.db2.gz OHAOTKPJVSZQBR-HNNXBMFYSA-N 2 1 272.436 3.008 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000435748706 278264669 /nfs/dbraw/zinc/26/46/69/278264669.db2.gz PNNOYVCDQYHUJX-XJKSGUPXSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCCCCC1 ZINC000423496175 278279391 /nfs/dbraw/zinc/27/93/91/278279391.db2.gz DNMGZSPOKGYKOK-XJKSGUPXSA-N 2 1 252.446 3.452 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC1(C)C ZINC000397759792 288029466 /nfs/dbraw/zinc/02/94/66/288029466.db2.gz KTWGXYNHRBBDDG-CVEARBPZSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1Br ZINC000128976772 278369963 /nfs/dbraw/zinc/36/99/63/278369963.db2.gz LDDKWPKFPTYGAN-VXGBXAGGSA-N 2 1 297.240 3.242 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595210 278466086 /nfs/dbraw/zinc/46/60/86/278466086.db2.gz NEPFNRSIGOSSHP-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCCCC1 ZINC000481299436 288047620 /nfs/dbraw/zinc/04/76/20/288047620.db2.gz MLNUNGPVKOOTPV-JKSUJKDBSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000459410941 288091072 /nfs/dbraw/zinc/09/10/72/288091072.db2.gz DIKXXHSLELVOLD-GFCCVEGCSA-N 2 1 294.389 3.285 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289519 279093982 /nfs/dbraw/zinc/09/39/82/279093982.db2.gz LTQQTLQCUVASDG-LSDHHAIUSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433136 279096311 /nfs/dbraw/zinc/09/63/11/279096311.db2.gz JUJLWKUATIUMDC-JKSUJKDBSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433136 279096313 /nfs/dbraw/zinc/09/63/13/279096313.db2.gz JUJLWKUATIUMDC-JKSUJKDBSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433136 279096314 /nfs/dbraw/zinc/09/63/14/279096314.db2.gz JUJLWKUATIUMDC-JKSUJKDBSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)C[C@H]1c1ccccc1 ZINC000340441790 288104217 /nfs/dbraw/zinc/10/42/17/288104217.db2.gz WSGVNAXZICJSCL-VKSUQKOCSA-N 2 1 286.463 3.499 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261911092 279159337 /nfs/dbraw/zinc/15/93/37/279159337.db2.gz YEFOQYKJPLSPQR-JKSUJKDBSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261911092 279159340 /nfs/dbraw/zinc/15/93/40/279159340.db2.gz YEFOQYKJPLSPQR-JKSUJKDBSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCC12CCCC2 ZINC000189111768 279171824 /nfs/dbraw/zinc/17/18/24/279171824.db2.gz UWIWOBBMDCSZCM-ZFWWWQNUSA-N 2 1 261.413 3.140 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337993490 279173129 /nfs/dbraw/zinc/17/31/29/279173129.db2.gz HUMDDIAOXJVCIK-FVQBIDKESA-N 2 1 281.419 3.336 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000127296147 279408903 /nfs/dbraw/zinc/40/89/03/279408903.db2.gz YYDLCBNAGBBINB-WDEREUQCSA-N 2 1 275.783 3.062 20 0 CGADMP C[C@H]1C[C@H](CC[NH2+][C@](C)(C[NH3+])C2CC2)C[C@@H](C)C1 ZINC000430586108 279991646 /nfs/dbraw/zinc/99/16/46/279991646.db2.gz XZXDRGHEAVKTLK-ORIJERBGSA-N 2 1 252.446 3.166 20 0 CGADMP CCSCC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000372458519 280038147 /nfs/dbraw/zinc/03/81/47/280038147.db2.gz RDCSDYNGGZGEEW-HIFRSBDPSA-N 2 1 298.521 3.474 20 0 CGADMP CCSCC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000372458519 280038148 /nfs/dbraw/zinc/03/81/48/280038148.db2.gz RDCSDYNGGZGEEW-HIFRSBDPSA-N 2 1 298.521 3.474 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125157913 280120599 /nfs/dbraw/zinc/12/05/99/280120599.db2.gz XITCONNGJNIAKC-RYQLBKOJSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125157913 280120601 /nfs/dbraw/zinc/12/06/01/280120601.db2.gz XITCONNGJNIAKC-RYQLBKOJSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125157913 280120602 /nfs/dbraw/zinc/12/06/02/280120602.db2.gz XITCONNGJNIAKC-RYQLBKOJSA-N 2 1 272.436 3.349 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)C1CCCCC1)[NH+]1CCCC1 ZINC000474471406 280838618 /nfs/dbraw/zinc/83/86/18/280838618.db2.gz BJHDDOGYSBTTPT-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)CC3 ZINC000414936406 281035536 /nfs/dbraw/zinc/03/55/36/281035536.db2.gz CTAIVKPRJJQSAL-JJRVBVJISA-N 2 1 297.446 3.064 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CCC2 ZINC000352580247 281125616 /nfs/dbraw/zinc/12/56/16/281125616.db2.gz JYNQIIKUJIKFHL-FHLIZLRMSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CCC2 ZINC000352580247 281125619 /nfs/dbraw/zinc/12/56/19/281125619.db2.gz JYNQIIKUJIKFHL-FHLIZLRMSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1cccc2c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c[nH+]c12 ZINC000462481322 281306975 /nfs/dbraw/zinc/30/69/75/281306975.db2.gz RSMMCKVLHJJRSF-CABCVRRESA-N 2 1 283.419 3.168 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422897077 281334456 /nfs/dbraw/zinc/33/44/56/281334456.db2.gz BKCHBKVGIPLHTH-RDJZCZTQSA-N 2 1 272.436 3.147 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420294206 281366081 /nfs/dbraw/zinc/36/60/81/281366081.db2.gz AXJDYONOWSEFCQ-DLBZAZTESA-N 2 1 272.436 3.174 20 0 CGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000531339958 288334515 /nfs/dbraw/zinc/33/45/15/288334515.db2.gz KPNQJENZZQAFQL-MEQKGCOVSA-N 2 1 284.447 3.364 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000531339958 288334517 /nfs/dbraw/zinc/33/45/17/288334517.db2.gz KPNQJENZZQAFQL-MEQKGCOVSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000531339958 288334518 /nfs/dbraw/zinc/33/45/18/288334518.db2.gz KPNQJENZZQAFQL-MEQKGCOVSA-N 2 1 284.447 3.364 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000531339958 288334520 /nfs/dbraw/zinc/33/45/20/288334520.db2.gz KPNQJENZZQAFQL-MEQKGCOVSA-N 2 1 284.447 3.364 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532463479 288362724 /nfs/dbraw/zinc/36/27/24/288362724.db2.gz BDTFWIXEMPDUID-WMZOPIPTSA-N 2 1 274.452 3.432 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532463475 288362870 /nfs/dbraw/zinc/36/28/70/288362870.db2.gz BDTFWIXEMPDUID-AEFFLSMTSA-N 2 1 274.452 3.432 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000533106262 288373779 /nfs/dbraw/zinc/37/37/79/288373779.db2.gz CBIBECFVIXHOST-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](C[NH2+]C[C@@H](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000543446432 288804109 /nfs/dbraw/zinc/80/41/09/288804109.db2.gz HODYKJWAOHNKGN-WMZOPIPTSA-N 2 1 274.452 3.329 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624957 289049070 /nfs/dbraw/zinc/04/90/70/289049070.db2.gz LUOFGIFVSNTWRQ-FZCLSBEQSA-N 2 1 274.452 3.499 20 0 CGADMP C[NH+](C)CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000151919406 289117865 /nfs/dbraw/zinc/11/78/65/289117865.db2.gz IHENADROPUKDAZ-AWEZNQCLSA-N 2 1 282.815 3.095 20 0 CGADMP CCC1CC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000551778764 289130705 /nfs/dbraw/zinc/13/07/05/289130705.db2.gz IKFJSQQHTHLZPG-UIDBIOKJSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccccc1C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000551793733 289133187 /nfs/dbraw/zinc/13/31/87/289133187.db2.gz GYDUGRCGAMZINB-RTBURBONSA-N 2 1 286.463 3.246 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552111346 289164343 /nfs/dbraw/zinc/16/43/43/289164343.db2.gz YOIMUVZVIRXQAM-GOEBONIOSA-N 2 1 278.465 3.097 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552111346 289164344 /nfs/dbraw/zinc/16/43/44/289164344.db2.gz YOIMUVZVIRXQAM-GOEBONIOSA-N 2 1 278.465 3.097 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552111346 289164345 /nfs/dbraw/zinc/16/43/45/289164345.db2.gz YOIMUVZVIRXQAM-GOEBONIOSA-N 2 1 278.465 3.097 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000552276020 289177518 /nfs/dbraw/zinc/17/75/18/289177518.db2.gz IEVNPIVZBVVFAZ-IGKNDFSCSA-N 2 1 276.468 3.418 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000554385500 289280181 /nfs/dbraw/zinc/28/01/81/289280181.db2.gz ALRKSSLAOFNRDG-IVSAIRAKSA-N 2 1 264.457 3.418 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000562264005 289686707 /nfs/dbraw/zinc/68/67/07/289686707.db2.gz YZEWJUUVDSIYSN-UHFFFAOYSA-N 2 1 295.858 3.289 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)[C@@H]2CCC[C@H]21 ZINC000414192048 290213638 /nfs/dbraw/zinc/21/36/38/290213638.db2.gz SHGCMMVPDBVQEU-QXRZNBQRSA-N 2 1 286.410 3.273 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCC2)[C@@H]2CCC[C@H]21 ZINC000453310504 290215470 /nfs/dbraw/zinc/21/54/70/290215470.db2.gz RJNGAGYSPKKCGX-HRCADAONSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261688739 290243764 /nfs/dbraw/zinc/24/37/64/290243764.db2.gz NDNWVMHIGJWROP-ZMYBRWDISA-N 2 1 280.415 3.442 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119658200 290258477 /nfs/dbraw/zinc/25/84/77/290258477.db2.gz ATIZDRUUABCADJ-GJZGRUSLSA-N 2 1 272.436 3.395 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000178304727 293244975 /nfs/dbraw/zinc/24/49/75/293244975.db2.gz RIRCXEMXTCMZOI-YUTCNCBUSA-N 2 1 281.469 3.283 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C3C[NH2+]C3)c(C)c2c1 ZINC000422858173 295280616 /nfs/dbraw/zinc/28/06/16/295280616.db2.gz HXENHDDCVCAZPI-NWDGAFQWSA-N 2 1 288.391 3.008 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)C[C@@H]21 ZINC000420316070 295309880 /nfs/dbraw/zinc/30/98/80/295309880.db2.gz XQDQERPZMYAZPP-IPALMDDQSA-N 2 1 290.838 3.387 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459790155 302100525 /nfs/dbraw/zinc/10/05/25/302100525.db2.gz RAKFGFKDECPYQI-IAGOWNOFSA-N 2 1 274.452 3.248 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359211659 302106866 /nfs/dbraw/zinc/10/68/66/302106866.db2.gz DIHISAXMIJYJNA-UHFFFAOYSA-N 2 1 290.451 3.085 20 0 CGADMP FC(F)(F)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC12CCC2 ZINC000261608772 303117568 /nfs/dbraw/zinc/11/75/68/303117568.db2.gz AMSPABGCJUEKMT-ZDUSSCGKSA-N 2 1 290.373 3.041 20 0 CGADMP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000423112106 303118764 /nfs/dbraw/zinc/11/87/64/303118764.db2.gz XCBGFSBTEPZPMX-SOUVJXGZSA-N 2 1 298.352 3.293 20 0 CGADMP [NH3+]C1CCC([NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000094074679 303361839 /nfs/dbraw/zinc/36/18/39/303361839.db2.gz IWVDAMTWAQSVIN-UHFFFAOYSA-N 2 1 293.499 3.035 20 0 CGADMP c1cc2nccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2s1 ZINC000563491048 322000153 /nfs/dbraw/zinc/00/01/53/322000153.db2.gz ZOUYTHOBMJTEDA-NSHDSACASA-N 2 1 273.405 3.193 20 0 CGADMP c1cc2[nH+]ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2s1 ZINC000563491048 322000155 /nfs/dbraw/zinc/00/01/55/322000155.db2.gz ZOUYTHOBMJTEDA-NSHDSACASA-N 2 1 273.405 3.193 20 0 CGADMP c1cc2[nH+]ccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2s1 ZINC000563491048 322000157 /nfs/dbraw/zinc/00/01/57/322000157.db2.gz ZOUYTHOBMJTEDA-NSHDSACASA-N 2 1 273.405 3.193 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000563665867 322005944 /nfs/dbraw/zinc/00/59/44/322005944.db2.gz FGDBWIPZDMZCPM-YYIAUSFCSA-N 2 1 264.457 3.277 20 0 CGADMP CCCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000563778763 322009744 /nfs/dbraw/zinc/00/97/44/322009744.db2.gz XRNZSQLTPWMSSO-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000563778763 322009745 /nfs/dbraw/zinc/00/97/45/322009745.db2.gz XRNZSQLTPWMSSO-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000563778763 322009746 /nfs/dbraw/zinc/00/97/46/322009746.db2.gz XRNZSQLTPWMSSO-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000563778763 322009748 /nfs/dbraw/zinc/00/97/48/322009748.db2.gz XRNZSQLTPWMSSO-MAUKXSAKSA-N 2 1 274.452 3.411 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCC1(C)CC[NH2+]CC1 ZINC000564656977 322037767 /nfs/dbraw/zinc/03/77/67/322037767.db2.gz OWBMPCFXYYTTDP-UHFFFAOYSA-N 2 1 269.392 3.345 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccncc1C ZINC000565344457 322074099 /nfs/dbraw/zinc/07/40/99/322074099.db2.gz IGXFQVKNXZSEOU-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000566417313 322121355 /nfs/dbraw/zinc/12/13/55/322121355.db2.gz PCFPANQJFSWMBX-UHFFFAOYSA-N 2 1 283.828 3.200 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000566417313 322121357 /nfs/dbraw/zinc/12/13/57/322121357.db2.gz PCFPANQJFSWMBX-UHFFFAOYSA-N 2 1 283.828 3.200 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000568566982 322213984 /nfs/dbraw/zinc/21/39/84/322213984.db2.gz ZLIZCIMTMLXLSG-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000568566982 322213986 /nfs/dbraw/zinc/21/39/86/322213986.db2.gz ZLIZCIMTMLXLSG-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1Cl ZINC000568566982 322213988 /nfs/dbraw/zinc/21/39/88/322213988.db2.gz ZLIZCIMTMLXLSG-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1Cl ZINC000568566982 322213990 /nfs/dbraw/zinc/21/39/90/322213990.db2.gz ZLIZCIMTMLXLSG-CJNGLKHVSA-N 2 1 280.843 3.420 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569605404 322251677 /nfs/dbraw/zinc/25/16/77/322251677.db2.gz MBZKCDSHHFBUET-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569605404 322251679 /nfs/dbraw/zinc/25/16/79/322251679.db2.gz MBZKCDSHHFBUET-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C[C@@H]1n1ccnc1 ZINC000569634700 322252628 /nfs/dbraw/zinc/25/26/28/322252628.db2.gz YYXOWRXGIVFVQL-BEFAXECRSA-N 2 1 295.430 3.181 20 0 CGADMP COCC[NH+]1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC000569968337 322261567 /nfs/dbraw/zinc/26/15/67/322261567.db2.gz FSPWTPLKHUGICX-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000570536267 322276248 /nfs/dbraw/zinc/27/62/48/322276248.db2.gz HMNJRHMRNQNUKN-HRCADAONSA-N 2 1 278.827 3.302 20 0 CGADMP Cc1cccc2c1ccnc2NCC[N@H+](C)C1CC1 ZINC000570797162 322282519 /nfs/dbraw/zinc/28/25/19/322282519.db2.gz PVQRGDVQFDLQIY-UHFFFAOYSA-N 2 1 255.365 3.049 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000571823181 322308800 /nfs/dbraw/zinc/30/88/00/322308800.db2.gz AKHLOPGLDHIRSU-QKIRZYONSA-N 2 1 288.435 3.028 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000572653057 322348640 /nfs/dbraw/zinc/34/86/40/322348640.db2.gz ZXRVOXCBVUMUSU-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000572653057 322348641 /nfs/dbraw/zinc/34/86/41/322348641.db2.gz ZXRVOXCBVUMUSU-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000572842073 322357411 /nfs/dbraw/zinc/35/74/11/322357411.db2.gz PNDZKSKWZPKTQN-KRWDZBQOSA-N 2 1 278.415 3.427 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000572842073 322357414 /nfs/dbraw/zinc/35/74/14/322357414.db2.gz PNDZKSKWZPKTQN-KRWDZBQOSA-N 2 1 278.415 3.427 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000584219564 327066203 /nfs/dbraw/zinc/06/62/03/327066203.db2.gz FPJWASBJCKTPCR-KRWDZBQOSA-N 2 1 276.424 3.083 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582467085 329088768 /nfs/dbraw/zinc/08/87/68/329088768.db2.gz YZYNUKZUZHRGTD-HZMVEIRTSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582467085 329088770 /nfs/dbraw/zinc/08/87/70/329088770.db2.gz YZYNUKZUZHRGTD-HZMVEIRTSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000394878248 329163599 /nfs/dbraw/zinc/16/35/99/329163599.db2.gz GPZQBYNVVDPMHL-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000582913492 329287679 /nfs/dbraw/zinc/28/76/79/329287679.db2.gz KPJYHKKJPDUGDO-HNNXBMFYSA-N 2 1 293.361 3.339 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000576824325 335252324 /nfs/dbraw/zinc/25/23/24/335252324.db2.gz XFAIGJKGWPPNCJ-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000577029430 335284497 /nfs/dbraw/zinc/28/44/97/335284497.db2.gz QVIASFADZJAORC-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000577029430 335284499 /nfs/dbraw/zinc/28/44/99/335284499.db2.gz QVIASFADZJAORC-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccncc1CCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000577396915 335348165 /nfs/dbraw/zinc/34/81/65/335348165.db2.gz PYSBIOPFAPHOGC-IBGZPJMESA-N 2 1 296.414 3.476 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000577493182 335358884 /nfs/dbraw/zinc/35/88/84/335358884.db2.gz WPGFIKGTRQNDCT-KBPBESRZSA-N 2 1 269.392 3.343 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000581397279 336068091 /nfs/dbraw/zinc/06/80/91/336068091.db2.gz ODNHMZSVQWNNLF-RDFMZFSFSA-N 2 1 294.389 3.298 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581489275 336088311 /nfs/dbraw/zinc/08/83/11/336088311.db2.gz SSJJTVFYNPNTHR-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000581488472 336088408 /nfs/dbraw/zinc/08/84/08/336088408.db2.gz JKUGNAKRNQTHTF-NXHRZFHOSA-N 2 1 274.452 3.485 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000581488471 336088450 /nfs/dbraw/zinc/08/84/50/336088450.db2.gz JKUGNAKRNQTHTF-KBAYOESNSA-N 2 1 274.452 3.485 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000384148234 336122227 /nfs/dbraw/zinc/12/22/27/336122227.db2.gz GKATUHLWXPSETM-QGZVFWFLSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H](C[N@@H+](C)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000384318033 336123736 /nfs/dbraw/zinc/12/37/36/336123736.db2.gz NLAQJLLQMAANPI-OAHLLOKOSA-N 2 1 260.425 3.112 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000385429914 336146306 /nfs/dbraw/zinc/14/63/06/336146306.db2.gz LWUKVXKGOFWEER-GDBMZVCRSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000339413737 519794291 /nfs/dbraw/zinc/79/42/91/519794291.db2.gz OCYSYRBXLGTFDA-IAGOWNOFSA-N 2 1 260.425 3.097 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(Br)cs1 ZINC000086814846 521650856 /nfs/dbraw/zinc/65/08/56/521650856.db2.gz ANWQLYZOCAULSR-UHFFFAOYSA-N 2 1 291.258 3.118 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cnc2ccsc2c1 ZINC000423356890 533866883 /nfs/dbraw/zinc/86/68/83/533866883.db2.gz HLAIQEKOOIKDQJ-WCQYABFASA-N 2 1 275.421 3.089 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423220175 533884256 /nfs/dbraw/zinc/88/42/56/533884256.db2.gz XQRSSCSECPZUMB-BKQLOGFTSA-N 2 1 294.826 3.282 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423328869 533897643 /nfs/dbraw/zinc/89/76/43/533897643.db2.gz SNBMNGLUXWZDFG-ZANVPECISA-N 2 1 272.314 3.093 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000358057339 533899373 /nfs/dbraw/zinc/89/93/73/533899373.db2.gz FWOASVVQOYUKNB-GOEBONIOSA-N 2 1 278.465 3.099 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)oc21 ZINC000423408074 533911889 /nfs/dbraw/zinc/91/18/89/533911889.db2.gz WTORYIPNYPXMHM-SGMGOOAPSA-N 2 1 288.391 3.090 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1Cl ZINC000423390191 534006808 /nfs/dbraw/zinc/00/68/08/534006808.db2.gz JVKKOPUIKGETFK-BFVZDQMLSA-N 2 1 270.779 3.128 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000449130465 534230177 /nfs/dbraw/zinc/23/01/77/534230177.db2.gz GPOCMXPHPGMTIX-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423521206 534428180 /nfs/dbraw/zinc/42/81/80/534428180.db2.gz GBHSXZPCPIUGOF-IHXKFAGKSA-N 2 1 299.462 3.194 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc2c1 ZINC000411283670 534513192 /nfs/dbraw/zinc/51/31/92/534513192.db2.gz LNMFOFFTVSJIDH-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc2c1 ZINC000411283670 534513198 /nfs/dbraw/zinc/51/31/98/534513198.db2.gz LNMFOFFTVSJIDH-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2ncc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc2c1 ZINC000411283670 534513204 /nfs/dbraw/zinc/51/32/04/534513204.db2.gz LNMFOFFTVSJIDH-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1ccc2ncc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc2c1 ZINC000411283670 534513206 /nfs/dbraw/zinc/51/32/06/534513206.db2.gz LNMFOFFTVSJIDH-INIZCTEOSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cnc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000449081677 534555758 /nfs/dbraw/zinc/55/57/58/534555758.db2.gz HCTDUIQCDIVMKC-CYBMUJFWSA-N 2 1 281.469 3.196 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000037643692 521711628 /nfs/dbraw/zinc/71/16/28/521711628.db2.gz LKYWXHUFCHKFAR-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP CCc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157455075 521841673 /nfs/dbraw/zinc/84/16/73/521841673.db2.gz UCBPKMCGSKWJHL-ZWKOTPCHSA-N 2 1 266.388 3.483 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1F ZINC000449044412 534712217 /nfs/dbraw/zinc/71/22/17/534712217.db2.gz DNOKCRYIKJZPLQ-HOCLYGCPSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1F ZINC000449044412 534712223 /nfs/dbraw/zinc/71/22/23/534712223.db2.gz DNOKCRYIKJZPLQ-HOCLYGCPSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1F ZINC000449044412 534712227 /nfs/dbraw/zinc/71/22/27/534712227.db2.gz DNOKCRYIKJZPLQ-HOCLYGCPSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1F ZINC000449044412 534712230 /nfs/dbraw/zinc/71/22/30/534712230.db2.gz DNOKCRYIKJZPLQ-HOCLYGCPSA-N 2 1 276.399 3.050 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4cc[nH]c43)C2)CC1 ZINC000290484636 523784016 /nfs/dbraw/zinc/78/40/16/523784016.db2.gz OEWBANXVWKTBAY-QGZVFWFLSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4cc[nH]c43)C2)CC1 ZINC000290484632 523784700 /nfs/dbraw/zinc/78/47/00/523784700.db2.gz OEWBANXVWKTBAY-KRWDZBQOSA-N 2 1 297.446 3.332 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccc(O)c1)CC1CC1 ZINC000161514399 523820060 /nfs/dbraw/zinc/82/00/60/523820060.db2.gz QKUMEACEYVXFBI-QGZVFWFLSA-N 2 1 288.435 3.089 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000161514399 523820067 /nfs/dbraw/zinc/82/00/67/523820067.db2.gz QKUMEACEYVXFBI-QGZVFWFLSA-N 2 1 288.435 3.089 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000161514399 523820072 /nfs/dbraw/zinc/82/00/72/523820072.db2.gz QKUMEACEYVXFBI-QGZVFWFLSA-N 2 1 288.435 3.089 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)C[NH+]1CCCC1 ZINC000163672873 524741014 /nfs/dbraw/zinc/74/10/14/524741014.db2.gz RYZVIPCARGZRFO-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1F ZINC000050545586 524752757 /nfs/dbraw/zinc/75/27/57/524752757.db2.gz UIPILKNMYQLBCA-UHFFFAOYSA-N 2 1 278.415 3.487 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157431454 525089151 /nfs/dbraw/zinc/08/91/51/525089151.db2.gz IXYBPMTUZNBUKL-GPQLOAJWSA-N 2 1 284.447 3.457 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000094826952 525503891 /nfs/dbraw/zinc/50/38/91/525503891.db2.gz AHJLSZITUQMVTN-VXGBXAGGSA-N 2 1 280.362 3.100 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000513077971 534910914 /nfs/dbraw/zinc/91/09/14/534910914.db2.gz WGAMVMQPBYRNCR-SQNIBIBYSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000513077971 534910919 /nfs/dbraw/zinc/91/09/19/534910919.db2.gz WGAMVMQPBYRNCR-SQNIBIBYSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414290628 526661830 /nfs/dbraw/zinc/66/18/30/526661830.db2.gz AFJVSVUAIQXDKS-FPCVCCKLSA-N 2 1 264.457 3.418 20 0 CGADMP CCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)COC1 ZINC000449605106 527753521 /nfs/dbraw/zinc/75/35/21/527753521.db2.gz MBIOPIUTEIVSMQ-CQSZACIVSA-N 2 1 299.418 3.258 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(C)c2)[C@H](C)C1 ZINC000174779518 527753494 /nfs/dbraw/zinc/75/34/94/527753494.db2.gz WUPYDGOTOIEHRR-SJLPKXTDSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(C)c2)[C@H](C)C1 ZINC000174779518 527753500 /nfs/dbraw/zinc/75/35/00/527753500.db2.gz WUPYDGOTOIEHRR-SJLPKXTDSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(C)c2)[C@H](C)C1 ZINC000174779518 527753504 /nfs/dbraw/zinc/75/35/04/527753504.db2.gz WUPYDGOTOIEHRR-SJLPKXTDSA-N 2 1 290.451 3.036 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423282938 527782724 /nfs/dbraw/zinc/78/27/24/527782724.db2.gz VLUPQXYTRWSZNI-KSSFIOAISA-N 2 1 290.451 3.499 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2OC)C1 ZINC000449035890 527838133 /nfs/dbraw/zinc/83/81/33/527838133.db2.gz INPUGBKPBQHIHH-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2OC)C1 ZINC000449035890 527838142 /nfs/dbraw/zinc/83/81/42/527838142.db2.gz INPUGBKPBQHIHH-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2OC)C1 ZINC000449035890 527838148 /nfs/dbraw/zinc/83/81/48/527838148.db2.gz INPUGBKPBQHIHH-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2OC)C1 ZINC000449035890 527838152 /nfs/dbraw/zinc/83/81/52/527838152.db2.gz INPUGBKPBQHIHH-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000359187785 528063880 /nfs/dbraw/zinc/06/38/80/528063880.db2.gz JXWRSMUVISKPGG-UHFFFAOYSA-N 2 1 278.415 3.427 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423440940 528166153 /nfs/dbraw/zinc/16/61/53/528166153.db2.gz ITKLMOTYLZWYKR-MCIONIFRSA-N 2 1 264.413 3.108 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152653725 528204523 /nfs/dbraw/zinc/20/45/23/528204523.db2.gz NYTRZNXAKZWGHU-ZDUSSCGKSA-N 2 1 294.414 3.359 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)C(C)(C)C ZINC000423475385 528225971 /nfs/dbraw/zinc/22/59/71/528225971.db2.gz KGNRGNPVGOXTHT-NEPJUHHUSA-N 2 1 262.388 3.036 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423268194 528310998 /nfs/dbraw/zinc/31/09/98/528310998.db2.gz UJYSHRICUFSJDE-GOEBONIOSA-N 2 1 264.388 3.166 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1 ZINC000423422066 528361579 /nfs/dbraw/zinc/36/15/79/528361579.db2.gz COSKXGRWJOKNDM-QXSJWSMHSA-N 2 1 278.827 3.235 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000423285538 528534554 /nfs/dbraw/zinc/53/45/54/528534554.db2.gz ZILAWSDRNKSBJX-SCZZXKLOSA-N 2 1 291.258 3.145 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423331302 528574604 /nfs/dbraw/zinc/57/46/04/528574604.db2.gz QEAOXBIXYUHDEN-RISCZKNCSA-N 2 1 254.805 3.364 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414181740 528595275 /nfs/dbraw/zinc/59/52/75/528595275.db2.gz MTCZNYCDZONHQU-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2CC(C)C)[C@H](C)C1 ZINC000414189501 528671782 /nfs/dbraw/zinc/67/17/82/528671782.db2.gz SGZDPVITZGIKIX-ZJPYXAASSA-N 2 1 296.499 3.148 20 0 CGADMP CCOc1cccc2cc([C@H](C)[NH2+]CC(C)(C)[NH3+])oc21 ZINC000423281475 528699765 /nfs/dbraw/zinc/69/97/65/528699765.db2.gz BJRROSJNKNZOAQ-NSHDSACASA-N 2 1 276.380 3.219 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000449100782 528835270 /nfs/dbraw/zinc/83/52/70/528835270.db2.gz SLUPPJMVTVEUTB-VKJFTORMSA-N 2 1 290.451 3.182 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423302566 528955407 /nfs/dbraw/zinc/95/54/07/528955407.db2.gz VSKSCAORUNEGBK-HZPDHXFCSA-N 2 1 261.413 3.030 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000423300544 528955874 /nfs/dbraw/zinc/95/58/74/528955874.db2.gz RSZTXFJBVYBNPQ-ZBFHGGJFSA-N 2 1 264.413 3.253 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423294478 528955933 /nfs/dbraw/zinc/95/59/33/528955933.db2.gz CDDUKUVOVRLWFK-GOEBONIOSA-N 2 1 286.423 3.040 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423271829 529072100 /nfs/dbraw/zinc/07/21/00/529072100.db2.gz JLEAXNXGZZZLRT-CABCVRRESA-N 2 1 266.816 3.290 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C(C)C ZINC000361216294 529157162 /nfs/dbraw/zinc/15/71/62/529157162.db2.gz LUPUXXVCFWVSAE-QGZVFWFLSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486693228 534955805 /nfs/dbraw/zinc/95/58/05/534955805.db2.gz IQZDUORLQGGHDO-CYBMUJFWSA-N 2 1 289.398 3.129 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000125286954 535459170 /nfs/dbraw/zinc/45/91/70/535459170.db2.gz RNVUWAKBZYWRIU-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000125286954 535459173 /nfs/dbraw/zinc/45/91/73/535459173.db2.gz RNVUWAKBZYWRIU-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CCc1cccc(F)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459800276 535889910 /nfs/dbraw/zinc/88/99/10/535889910.db2.gz ZLUCHAFPBOIHNG-AWEZNQCLSA-N 2 1 278.415 3.210 20 0 CGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C1CC1 ZINC000123996754 535919840 /nfs/dbraw/zinc/91/98/40/535919840.db2.gz UBPACQVSJROUDW-KRWDZBQOSA-N 2 1 260.425 3.417 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000451174388 536893761 /nfs/dbraw/zinc/89/37/61/536893761.db2.gz WVPNVUVGVAUZSV-CQSZACIVSA-N 2 1 286.419 3.136 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC000733309486 572553511 /nfs/dbraw/zinc/55/35/11/572553511.db2.gz QPMOMYXRHGDFOJ-UHFFFAOYSA-N 2 1 293.455 3.352 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(C)C)c2)[C@H](C)C1 ZINC000742385853 572573720 /nfs/dbraw/zinc/57/37/20/572573720.db2.gz YMCFDEHUJARLLF-QAPCUYQASA-N 2 1 290.451 3.294 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[Si](C)(C)C)CC1 ZINC000733610825 572591325 /nfs/dbraw/zinc/59/13/25/572591325.db2.gz YTEPFJCCOPCTPP-UHFFFAOYSA-N 2 1 270.537 3.308 20 0 CGADMP Cc1ccc(OCC[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000749394349 572998440 /nfs/dbraw/zinc/99/84/40/572998440.db2.gz PVTWQWZMMJMBCS-UHFFFAOYSA-N 2 1 290.451 3.178 20 0 CGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924768524 620737441 /nfs/dbraw/zinc/73/74/41/620737441.db2.gz GOKXVGPQOLEQQH-NLYLCNNHSA-N 2 1 296.524 3.369 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000250767691 618743858 /nfs/dbraw/zinc/74/38/58/618743858.db2.gz SZCATPNXYOXTFN-DJIMGWMZSA-N 2 1 294.389 3.365 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1CC2(C1)CCCC2)C1CC1 ZINC000926561438 618744278 /nfs/dbraw/zinc/74/42/78/618744278.db2.gz YKJBDYQVRVFZIA-UHFFFAOYSA-N 2 1 250.430 3.173 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CCCCC1 ZINC000924559615 618832221 /nfs/dbraw/zinc/83/22/21/618832221.db2.gz LRKOEKSDPGYJIG-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP CCCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000892944559 618959569 /nfs/dbraw/zinc/95/95/69/618959569.db2.gz RZQFYUHBPVMQHR-CABCVRRESA-N 2 1 272.502 3.228 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC[C@H]2C(C)C)C1 ZINC000925587247 619075433 /nfs/dbraw/zinc/07/54/33/619075433.db2.gz HLNRCTSKIJUBDF-SQNIBIBYSA-N 2 1 296.499 3.005 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccs1 ZINC000093678060 619209283 /nfs/dbraw/zinc/20/92/83/619209283.db2.gz DOXWMLBCEKFMBP-AGUYFDCRSA-N 2 1 264.438 3.101 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000925757505 619221038 /nfs/dbraw/zinc/22/10/38/619221038.db2.gz HVVUVMAYKGLBQJ-OAHLLOKOSA-N 2 1 292.398 3.243 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000925757943 619221602 /nfs/dbraw/zinc/22/16/02/619221602.db2.gz XGAPAHBRZKUUME-LBPRGKRZSA-N 2 1 280.387 3.099 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(Cl)n1 ZINC000925765567 619226569 /nfs/dbraw/zinc/22/65/69/619226569.db2.gz KXBOEIUXKCJDBS-QWHCGFSZSA-N 2 1 281.831 3.039 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)s1 ZINC000925778529 619241147 /nfs/dbraw/zinc/24/11/47/619241147.db2.gz JUVJPUFGVFBQNL-IUCAKERBSA-N 2 1 294.798 3.297 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1OC ZINC000925825917 619274092 /nfs/dbraw/zinc/27/40/92/619274092.db2.gz CBNAYCPYNKUYSA-HIFRSBDPSA-N 2 1 280.387 3.017 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261756972 619400724 /nfs/dbraw/zinc/40/07/24/619400724.db2.gz UNZDQHHWPTXUGZ-LJQANCHMSA-N 2 1 278.399 3.427 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894189804 619408460 /nfs/dbraw/zinc/40/84/60/619408460.db2.gz FBYYYDNMOGNBHK-LBPRGKRZSA-N 2 1 290.432 3.038 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261930335 619484213 /nfs/dbraw/zinc/48/42/13/619484213.db2.gz JMURKNBBXRXSAU-GOEBONIOSA-N 2 1 298.430 3.408 20 0 CGADMP Fc1c(Cl)cccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262038143 619559082 /nfs/dbraw/zinc/55/90/82/619559082.db2.gz OVEWNENYBULQPU-UHFFFAOYSA-N 2 1 282.790 3.055 20 0 CGADMP COc1cccc(C[N@@H+](C)CCCCCCC[NH3+])c1 ZINC000048895077 619651538 /nfs/dbraw/zinc/65/15/38/619651538.db2.gz MNKKDQWLGVZAJV-UHFFFAOYSA-N 2 1 264.413 3.036 20 0 CGADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000262082448 619691556 /nfs/dbraw/zinc/69/15/56/619691556.db2.gz TWFCYTCIQQFPKR-UHFFFAOYSA-N 2 1 282.790 3.055 20 0 CGADMP Cc1cc(F)ccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895314362 619804542 /nfs/dbraw/zinc/80/45/42/619804542.db2.gz UGORHVAGNHDDMP-DXJOGWAWSA-N 2 1 290.426 3.280 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000035011906 620223872 /nfs/dbraw/zinc/22/38/72/620223872.db2.gz CWAKRCZDVSVGGY-MRXNPFEDSA-N 2 1 278.827 3.475 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000897417258 620296868 /nfs/dbraw/zinc/29/68/68/620296868.db2.gz GVXMSNDSTMNJPR-HYVNUMGLSA-N 2 1 288.435 3.281 20 0 CGADMP CN(C)c1cc[nH+]cc1CNc1ccc(C2CC2)c[nH+]1 ZINC000897715220 620421980 /nfs/dbraw/zinc/42/19/80/620421980.db2.gz GMKCXISCONVYPK-UHFFFAOYSA-N 2 1 268.364 3.032 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)CC1(C)C ZINC000898013771 620466020 /nfs/dbraw/zinc/46/60/20/620466020.db2.gz HWTZRKWLOZGNQE-QWHCGFSZSA-N 2 1 274.399 3.274 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924708711 620570643 /nfs/dbraw/zinc/57/06/43/620570643.db2.gz ZIQDKHLRQRGKMR-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924708711 620570646 /nfs/dbraw/zinc/57/06/46/620570646.db2.gz ZIQDKHLRQRGKMR-DOMZBBRYSA-N 2 1 293.842 3.044 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902126174 621164445 /nfs/dbraw/zinc/16/44/45/621164445.db2.gz GNTBTXHXWFKZTB-UHFFFAOYSA-N 2 1 289.467 3.391 20 0 CGADMP COCC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C)o1 ZINC000902370534 621276090 /nfs/dbraw/zinc/27/60/90/621276090.db2.gz OZLAITDGNKKMDQ-GJZGRUSLSA-N 2 1 294.439 3.033 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)c2cccc(Br)c21 ZINC000902418029 621310733 /nfs/dbraw/zinc/31/07/33/621310733.db2.gz ULRJFWZKOQEEOE-JOYOIKCWSA-N 2 1 295.224 3.078 20 0 CGADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902477346 621326752 /nfs/dbraw/zinc/32/67/52/621326752.db2.gz SOAJTFSLHTWSNZ-HSFUPAIVSA-N 2 1 270.420 3.114 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC=CCCC1)c1c[nH+]ccc1N ZINC000902458441 621334934 /nfs/dbraw/zinc/33/49/34/621334934.db2.gz XDLPNCHUIVWEMK-KBPBESRZSA-N 2 1 259.397 3.281 20 0 CGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468308 621339411 /nfs/dbraw/zinc/33/94/11/621339411.db2.gz UULSLXNHCIBODX-MMMKDXCPSA-N 2 1 298.352 3.119 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H](C)c1ccc(Cl)cc1 ZINC000902469376 621340416 /nfs/dbraw/zinc/34/04/16/621340416.db2.gz PUEJXSWZKAASND-GRIRQICOSA-N 2 1 278.827 3.315 20 0 CGADMP C[NH+](C)CCC[NH2+][C@@H](CCc1ccccc1)c1cccnc1 ZINC000902720378 621408777 /nfs/dbraw/zinc/40/87/77/621408777.db2.gz ITMABJQCYUGHMI-IBGZPJMESA-N 2 1 297.446 3.297 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902736515 621419705 /nfs/dbraw/zinc/41/97/05/621419705.db2.gz UFEDGVONOVORHJ-QZTJIDSGSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902975043 621517921 /nfs/dbraw/zinc/51/79/21/621517921.db2.gz BWVYZAVSQMBODY-WBVHZDCISA-N 2 1 284.488 3.148 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CC1(C)C ZINC000903156485 621602131 /nfs/dbraw/zinc/60/21/31/621602131.db2.gz JMHOOCFTZILYAV-WIGRTHMWSA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccn1 ZINC000903177939 621614210 /nfs/dbraw/zinc/61/42/10/621614210.db2.gz SEVPNQVHMVLZLN-ZXFUBFMLSA-N 2 1 299.462 3.107 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC2(c3ccccc3)CC2)CC[N@H+]1C ZINC000903170073 621619043 /nfs/dbraw/zinc/61/90/43/621619043.db2.gz CSLHWYVGCLQUAH-RDJZCZTQSA-N 2 1 272.436 3.181 20 0 CGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CC1(C)C ZINC000903379768 621722412 /nfs/dbraw/zinc/72/24/12/621722412.db2.gz ILKCKCCPQYJNHW-IMJJTQAJSA-N 2 1 275.440 3.099 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431719 621744088 /nfs/dbraw/zinc/74/40/88/621744088.db2.gz WLFJEXCXSDEYSC-OCCSQVGLSA-N 2 1 266.816 3.017 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431576 621744508 /nfs/dbraw/zinc/74/45/08/621744508.db2.gz QHOWEIBNMVWLAB-ZBFHGGJFSA-N 2 1 264.388 3.164 20 0 CGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430922 621744596 /nfs/dbraw/zinc/74/45/96/621744596.db2.gz IPSGTFRWIFASQP-OCCSQVGLSA-N 2 1 286.341 3.265 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC3(CCCCC3)C2)C1 ZINC000903438463 621747157 /nfs/dbraw/zinc/74/71/57/621747157.db2.gz VPZCOAKIWPYMTP-LSDHHAIUSA-N 2 1 250.430 3.160 20 0 CGADMP C[C@H]1SCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000903439103 621748315 /nfs/dbraw/zinc/74/83/15/621748315.db2.gz DHZBRALIWPAHHD-TXCZRRACSA-N 2 1 290.476 3.292 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc3cc[nH]c3c1)CC[NH2+]CC2 ZINC000903460054 621752095 /nfs/dbraw/zinc/75/20/95/621752095.db2.gz VVZQWFICVNMOFV-AWEZNQCLSA-N 2 1 283.419 3.132 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903719314 621796338 /nfs/dbraw/zinc/79/63/38/621796338.db2.gz XZDLGXTWCWBIII-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP CCCCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000903725001 621796758 /nfs/dbraw/zinc/79/67/58/621796758.db2.gz UIFKKHBNZHYCIA-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc([C@@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCS2)cc1 ZINC000903728876 621797205 /nfs/dbraw/zinc/79/72/05/621797205.db2.gz GPJDLAPZGABNBZ-WBVHZDCISA-N 2 1 290.476 3.166 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H]2CCCC[NH2+]C2)s1 ZINC000903739103 621800905 /nfs/dbraw/zinc/80/09/05/621800905.db2.gz BYFYOCUMUVSADE-JSGCOSHPSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CCCC[NH2+]C2)s1 ZINC000903739103 621800906 /nfs/dbraw/zinc/80/09/06/621800906.db2.gz BYFYOCUMUVSADE-JSGCOSHPSA-N 2 1 281.469 3.142 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1cc(F)ccc1F ZINC000903760184 621802466 /nfs/dbraw/zinc/80/24/66/621802466.db2.gz VXNQGTSPWQZALO-MLGOLLRUSA-N 2 1 282.378 3.395 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903899235 621829861 /nfs/dbraw/zinc/82/98/61/621829861.db2.gz RFPPZFQNJCTUNR-QWHCGFSZSA-N 2 1 262.388 3.260 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903899235 621829866 /nfs/dbraw/zinc/82/98/66/621829866.db2.gz RFPPZFQNJCTUNR-QWHCGFSZSA-N 2 1 262.388 3.260 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818376 621814626 /nfs/dbraw/zinc/81/46/26/621814626.db2.gz JCZHSERITRHMKA-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCCCC1)C2 ZINC000903842226 621819179 /nfs/dbraw/zinc/81/91/79/621819179.db2.gz MKROWCXWLXZFSY-JYJNAYRXSA-N 2 1 250.430 3.159 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccc3ccccc3c1)C2 ZINC000903843353 621820056 /nfs/dbraw/zinc/82/00/56/621820056.db2.gz JFTUPZXYUCHEGQ-SNRMKQJTSA-N 2 1 280.415 3.194 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903872560 621824883 /nfs/dbraw/zinc/82/48/83/621824883.db2.gz HFPOGGJJOJUJAQ-ZDUSSCGKSA-N 2 1 270.367 3.270 20 0 CGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903897503 621829472 /nfs/dbraw/zinc/82/94/72/621829472.db2.gz FEFDUZBCKCEKTJ-BMRXWSCTSA-N 2 1 282.497 3.123 20 0 CGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC(C)(C)C1 ZINC000903916510 621836036 /nfs/dbraw/zinc/83/60/36/621836036.db2.gz HEJYONNAHLVSPZ-DKUMPPAJSA-N 2 1 250.430 3.028 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959085 621836687 /nfs/dbraw/zinc/83/66/87/621836687.db2.gz ABRUBCFSOJULHP-IBGZPJMESA-N 2 1 295.430 3.200 20 0 CGADMP COc1ccccc1C[N@H+](C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904307252 621902505 /nfs/dbraw/zinc/90/25/05/621902505.db2.gz MZGNVXYVWHDQRA-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP COc1ccccc1C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904307252 621902509 /nfs/dbraw/zinc/90/25/09/621902509.db2.gz MZGNVXYVWHDQRA-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000904306848 621902767 /nfs/dbraw/zinc/90/27/67/621902767.db2.gz FNCKDMNRNJPYBB-BJHJDKERSA-N 2 1 298.352 3.407 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000904307656 621902924 /nfs/dbraw/zinc/90/29/24/621902924.db2.gz DFMNQWAZBHHVHZ-GLQYFDAESA-N 2 1 264.800 3.214 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904325366 621907594 /nfs/dbraw/zinc/90/75/94/621907594.db2.gz XPBFDGHAPANKKK-NJAFHUGGSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@H+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C2(CCCCC2)C1 ZINC000904326068 621907699 /nfs/dbraw/zinc/90/76/99/621907699.db2.gz DEUWKHPQITTZBL-INIZCTEOSA-N 2 1 295.515 3.090 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C[C@H]([NH3+])CCC(C)(C)C)CCOCC2 ZINC000904373594 621913678 /nfs/dbraw/zinc/91/36/78/621913678.db2.gz GBLFRTODFBZDIW-HUUCEWRRSA-N 2 1 282.472 3.031 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000904372024 621913838 /nfs/dbraw/zinc/91/38/38/621913838.db2.gz WIGYDYFYUWNUTB-IXDOHACOSA-N 2 1 296.499 3.013 20 0 CGADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000904372024 621913842 /nfs/dbraw/zinc/91/38/42/621913842.db2.gz WIGYDYFYUWNUTB-IXDOHACOSA-N 2 1 296.499 3.013 20 0 CGADMP C[C@]1(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCC[NH2+]C1 ZINC000904380830 621916367 /nfs/dbraw/zinc/91/63/67/621916367.db2.gz HRRUWKBJANLTBV-OKYOBFRVSA-N 2 1 284.447 3.112 20 0 CGADMP C[C@@H]1C[N@H+](Cc2csc(Cl)c2Cl)CC[C@@H]1C[NH3+] ZINC000904411009 621919366 /nfs/dbraw/zinc/91/93/66/621919366.db2.gz SLXIYDXKXNDLNA-RKDXNWHRSA-N 2 1 293.263 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc(Cl)c2Cl)CC[C@@H]1C[NH3+] ZINC000904411009 621919372 /nfs/dbraw/zinc/91/93/72/621919372.db2.gz SLXIYDXKXNDLNA-RKDXNWHRSA-N 2 1 293.263 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@H]1C[NH3+] ZINC000904409726 621919422 /nfs/dbraw/zinc/91/94/22/621919422.db2.gz HDQCYWAONZNCBX-PWSUYJOCSA-N 2 1 286.341 3.180 20 0 CGADMP [NH3+]C1(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000904442528 621922829 /nfs/dbraw/zinc/92/28/29/621922829.db2.gz DQQORYCLRYRELH-UHFFFAOYSA-N 2 1 286.341 3.109 20 0 CGADMP Cc1[nH+]c(N)ccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000904770247 621982356 /nfs/dbraw/zinc/98/23/56/621982356.db2.gz ZHPATODKIVHQAK-UHFFFAOYSA-N 2 1 267.376 3.235 20 0 CGADMP CC[C@H]1COC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924828323 622445857 /nfs/dbraw/zinc/44/58/57/622445857.db2.gz IIBQFWODQRPBQH-ZWKOTPCHSA-N 2 1 290.451 3.041 20 0 CGADMP CC[C@H]1COC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924828322 622446309 /nfs/dbraw/zinc/44/63/09/622446309.db2.gz IIBQFWODQRPBQH-ROUUACIJSA-N 2 1 290.451 3.041 20 0 CGADMP CCCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000920410769 624491270 /nfs/dbraw/zinc/49/12/70/624491270.db2.gz CUGIINTZERGKFP-UHFFFAOYSA-N 2 1 261.344 3.210 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000922269333 625992077 /nfs/dbraw/zinc/99/20/77/625992077.db2.gz MPMKFHYQWGWOHF-IXDOHACOSA-N 2 1 296.524 3.372 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCC[NH2+]C1CC1 ZINC000923301060 626144167 /nfs/dbraw/zinc/14/41/67/626144167.db2.gz OKYKFBDIXQAGKL-LLVKDONJSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923301060 626144169 /nfs/dbraw/zinc/14/41/69/626144169.db2.gz OKYKFBDIXQAGKL-LLVKDONJSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923316577 626144700 /nfs/dbraw/zinc/14/47/00/626144700.db2.gz KRNJIAOMYDNGMD-RHSMWYFYSA-N 2 1 258.409 3.007 20 0 CGADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923432677 626154001 /nfs/dbraw/zinc/15/40/01/626154001.db2.gz PHAPEZROHZUDRV-NPYXIHBLSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482911 626157137 /nfs/dbraw/zinc/15/71/37/626157137.db2.gz IRZZZGPLLULSKA-UONOGXRCSA-N 2 1 285.391 3.073 20 0 CGADMP C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923526027 626161119 /nfs/dbraw/zinc/16/11/19/626161119.db2.gz NIGIZHRHJRYCHY-SWLSCSKDSA-N 2 1 298.883 3.408 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(CF)cc2)CC1 ZINC000759968081 626933374 /nfs/dbraw/zinc/93/33/74/626933374.db2.gz VAYPFBAIKBBOIF-MRXNPFEDSA-N 2 1 264.388 3.072 20 0 CGADMP COc1ccc2c(NC[C@@H]3CC[N@H+](C(C)C)C3)cc[nH+]c2c1 ZINC000765490879 627253294 /nfs/dbraw/zinc/25/32/94/627253294.db2.gz YPWFOPLUEXXZBJ-AWEZNQCLSA-N 2 1 299.418 3.386 20 0 CGADMP CC[N@H+](CC[NH2+][C@H](C)CCc1ccc(OC)cc1)C(C)C ZINC000765629195 627263715 /nfs/dbraw/zinc/26/37/15/627263715.db2.gz WOKWWGUPAWQZDQ-MRXNPFEDSA-N 2 1 292.467 3.336 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H](C)CCc1ccc(OC)cc1)C(C)C ZINC000765629195 627263718 /nfs/dbraw/zinc/26/37/18/627263718.db2.gz WOKWWGUPAWQZDQ-MRXNPFEDSA-N 2 1 292.467 3.336 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccsc2)cc1 ZINC000768204454 627468972 /nfs/dbraw/zinc/46/89/72/627468972.db2.gz ZRROGRQDQDRKJL-UHFFFAOYSA-N 2 1 274.433 3.442 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000769870259 627585341 /nfs/dbraw/zinc/58/53/41/627585341.db2.gz FQGHVKZMRCPCLN-DZGCQCFKSA-N 2 1 293.455 3.316 20 0 CGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000769870259 627585343 /nfs/dbraw/zinc/58/53/43/627585343.db2.gz FQGHVKZMRCPCLN-DZGCQCFKSA-N 2 1 293.455 3.316 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C1(CC)CC ZINC000776158980 628171637 /nfs/dbraw/zinc/17/16/37/628171637.db2.gz GQLZEGPTWBJKPA-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CF)cc1 ZINC000777591463 628285886 /nfs/dbraw/zinc/28/58/86/628285886.db2.gz XXDWOQZEIXMXSY-KRWDZBQOSA-N 2 1 278.415 3.462 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CF)cc1 ZINC000777591463 628285888 /nfs/dbraw/zinc/28/58/88/628285888.db2.gz XXDWOQZEIXMXSY-KRWDZBQOSA-N 2 1 278.415 3.462 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(CF)cc1 ZINC000777591463 628285894 /nfs/dbraw/zinc/28/58/94/628285894.db2.gz XXDWOQZEIXMXSY-KRWDZBQOSA-N 2 1 278.415 3.462 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(CF)cc1 ZINC000777591463 628285899 /nfs/dbraw/zinc/28/58/99/628285899.db2.gz XXDWOQZEIXMXSY-KRWDZBQOSA-N 2 1 278.415 3.462 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000779460498 628414509 /nfs/dbraw/zinc/41/45/09/628414509.db2.gz QIRHGHJAUOVFBG-DOTOQJQBSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)Cc2ccccc21 ZINC000779460498 628414511 /nfs/dbraw/zinc/41/45/11/628414511.db2.gz QIRHGHJAUOVFBG-DOTOQJQBSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)Cc2ccccc21 ZINC000779460498 628414513 /nfs/dbraw/zinc/41/45/13/628414513.db2.gz QIRHGHJAUOVFBG-DOTOQJQBSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782185627 628622003 /nfs/dbraw/zinc/62/20/03/628622003.db2.gz ZUHYXUWMWZBLJO-AWEZNQCLSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000788480601 628663660 /nfs/dbraw/zinc/66/36/60/628663660.db2.gz ARKZGNFWIZAPSP-WMLDXEAASA-N 2 1 258.409 3.021 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783222533 628689576 /nfs/dbraw/zinc/68/95/76/628689576.db2.gz MKFMHARMMSUTFD-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000783222533 628689578 /nfs/dbraw/zinc/68/95/78/628689578.db2.gz MKFMHARMMSUTFD-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCCSC1)[NH+]1CCCC1 ZINC000783535655 628723060 /nfs/dbraw/zinc/72/30/60/628723060.db2.gz HBBWNVJKEPGGBZ-CVEARBPZSA-N 2 1 284.513 3.372 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(CF)cc1)CC2 ZINC000784251548 628798862 /nfs/dbraw/zinc/79/88/62/628798862.db2.gz HBESQUALNHZXNL-UHFFFAOYSA-N 2 1 276.399 3.216 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](Cc1ccc(CF)cc1)CC2 ZINC000784251548 628798866 /nfs/dbraw/zinc/79/88/66/628798866.db2.gz HBESQUALNHZXNL-UHFFFAOYSA-N 2 1 276.399 3.216 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790049563 629180540 /nfs/dbraw/zinc/18/05/40/629180540.db2.gz NZAVOWGEJDQDKK-ZBFHGGJFSA-N 2 1 260.425 3.036 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790049563 629180544 /nfs/dbraw/zinc/18/05/44/629180544.db2.gz NZAVOWGEJDQDKK-ZBFHGGJFSA-N 2 1 260.425 3.036 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790055714 629181191 /nfs/dbraw/zinc/18/11/91/629181191.db2.gz QQJULKPSJJLBKL-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP Cc1c(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)ccnc1F ZINC000862271234 629334715 /nfs/dbraw/zinc/33/47/15/629334715.db2.gz HQDNHYBZBJLYRZ-CQSZACIVSA-N 2 1 293.430 3.131 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334712 629661099 /nfs/dbraw/zinc/66/10/99/629661099.db2.gz DTXFXKRKFRMHJZ-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334712 629661102 /nfs/dbraw/zinc/66/11/02/629661102.db2.gz DTXFXKRKFRMHJZ-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334712 629661111 /nfs/dbraw/zinc/66/11/11/629661111.db2.gz DTXFXKRKFRMHJZ-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334712 629661115 /nfs/dbraw/zinc/66/11/15/629661115.db2.gz DTXFXKRKFRMHJZ-SJORKVTESA-N 2 1 290.838 3.355 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cc(F)cc(OCC)c2)CC1 ZINC000865404102 630105551 /nfs/dbraw/zinc/10/55/51/630105551.db2.gz CCUAQVKBRHDUCC-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957404 630128610 /nfs/dbraw/zinc/12/86/10/630128610.db2.gz WBYYEPSPMBBFNR-HNNXBMFYSA-N 2 1 292.492 3.487 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC000865456707 630131482 /nfs/dbraw/zinc/13/14/82/630131482.db2.gz QDLMJUDDLXQULM-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cn1 ZINC000800968907 630314302 /nfs/dbraw/zinc/31/43/02/630314302.db2.gz XSIYZRVRHQDPJX-SJORKVTESA-N 2 1 296.418 3.244 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000809754845 630800341 /nfs/dbraw/zinc/80/03/41/630800341.db2.gz CASKTQQGFSIUJI-INIZCTEOSA-N 2 1 276.424 3.060 20 0 CGADMP CCC[NH+]1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC000810258616 630861265 /nfs/dbraw/zinc/86/12/65/630861265.db2.gz SMONFPVNCKMAAF-UHFFFAOYSA-N 2 1 259.397 3.245 20 0 CGADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817904911 632232875 /nfs/dbraw/zinc/23/28/75/632232875.db2.gz HIRLRBSGZXZYIT-BPQTVZERSA-N 2 1 296.414 3.233 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817957347 632252179 /nfs/dbraw/zinc/25/21/79/632252179.db2.gz BBPKKPCTAJPJND-UFBFGSQYSA-N 2 1 290.238 3.210 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000817959153 632255083 /nfs/dbraw/zinc/25/50/83/632255083.db2.gz PUFKEAOTPOSIRE-ZFWWWQNUSA-N 2 1 264.413 3.109 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000817961736 632257364 /nfs/dbraw/zinc/25/73/64/632257364.db2.gz BHYVVBHSUAUKKQ-HIFRSBDPSA-N 2 1 264.413 3.253 20 0 CGADMP CCCCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000818984389 632359624 /nfs/dbraw/zinc/35/96/24/632359624.db2.gz GKBWYEGFZSRGSU-SJORKVTESA-N 2 1 284.488 3.028 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)CCc1cccnc1)[NH+]1CCCC1 ZINC000866226520 633035328 /nfs/dbraw/zinc/03/53/28/633035328.db2.gz LYHOLVOMBCEMIB-AEFFLSMTSA-N 2 1 289.467 3.113 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1F ZINC000823602422 633125507 /nfs/dbraw/zinc/12/55/07/633125507.db2.gz MVYVYBBMRJNRDU-INIZCTEOSA-N 2 1 280.362 3.101 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866582430 633202837 /nfs/dbraw/zinc/20/28/37/633202837.db2.gz FMTGZRMOZANMQE-USXIJHARSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866582430 633202839 /nfs/dbraw/zinc/20/28/39/633202839.db2.gz FMTGZRMOZANMQE-USXIJHARSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866582430 633202844 /nfs/dbraw/zinc/20/28/44/633202844.db2.gz FMTGZRMOZANMQE-USXIJHARSA-N 2 1 276.399 3.303 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866582430 633202849 /nfs/dbraw/zinc/20/28/49/633202849.db2.gz FMTGZRMOZANMQE-USXIJHARSA-N 2 1 276.399 3.303 20 0 CGADMP Cc1cncc([C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000866720010 633235523 /nfs/dbraw/zinc/23/55/23/633235523.db2.gz GPIDFYWJMUDYIZ-GOSISDBHSA-N 2 1 287.451 3.307 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872031574 633950986 /nfs/dbraw/zinc/95/09/86/633950986.db2.gz KXVLSBGSECLYGO-RYUDHWBXSA-N 2 1 291.370 3.023 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872072656 633994347 /nfs/dbraw/zinc/99/43/47/633994347.db2.gz IEYHHSZIKSUVTP-HRCADAONSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872072656 633994352 /nfs/dbraw/zinc/99/43/52/633994352.db2.gz IEYHHSZIKSUVTP-HRCADAONSA-N 2 1 284.488 3.290 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000872076420 633999635 /nfs/dbraw/zinc/99/96/35/633999635.db2.gz LFAPUGXJJBBGQD-ODWCKFRGSA-N 2 1 278.362 3.322 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)[C@@H]2CCC[C@@H]21 ZINC000846185195 636155488 /nfs/dbraw/zinc/15/54/88/636155488.db2.gz QOKGMVXQSYWQNN-BTFPBAQTSA-N 2 1 288.838 3.154 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)CC[N@H+]1C ZINC000846211344 636159418 /nfs/dbraw/zinc/15/94/18/636159418.db2.gz BFKBFJZXNNKWPI-WOPDTQHZSA-N 2 1 279.255 3.033 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@H]1C(F)(F)F ZINC000872150473 634065856 /nfs/dbraw/zinc/06/58/56/634065856.db2.gz QTVGOYUETDGGPG-BPLDGKMQSA-N 2 1 298.352 3.133 20 0 CGADMP Cc1csc([C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000872148734 634065982 /nfs/dbraw/zinc/06/59/82/634065982.db2.gz QNYGCRBZVZIKQI-OAHLLOKOSA-N 2 1 293.480 3.021 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C(F)(F)F ZINC000872152523 634066615 /nfs/dbraw/zinc/06/66/15/634066615.db2.gz SPILGFUHXYCKFJ-QWHCGFSZSA-N 2 1 278.362 3.026 20 0 CGADMP C[N@H+](CCCCCC[NH3+])Cc1ncc(Cl)cc1Cl ZINC000872155055 634066764 /nfs/dbraw/zinc/06/67/64/634066764.db2.gz AWJMPRZRGCBIPH-UHFFFAOYSA-N 2 1 290.238 3.339 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ncc(Cl)cc1Cl ZINC000872155055 634066767 /nfs/dbraw/zinc/06/67/67/634066767.db2.gz AWJMPRZRGCBIPH-UHFFFAOYSA-N 2 1 290.238 3.339 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872157722 634068065 /nfs/dbraw/zinc/06/80/65/634068065.db2.gz PWYLTJVQDSCQCI-WMLDXEAASA-N 2 1 291.439 3.103 20 0 CGADMP CCOCCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158281 634069203 /nfs/dbraw/zinc/06/92/03/634069203.db2.gz UQDFCTCERIKBFJ-RDJZCZTQSA-N 2 1 282.472 3.033 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223450 634291646 /nfs/dbraw/zinc/29/16/46/634291646.db2.gz NPXJSIYWFBMHEN-HNNXBMFYSA-N 2 1 266.454 3.253 20 0 CGADMP CCn1nc(C[N@@H+](C)CCCCCC[NH3+])c2ccccc21 ZINC000873231551 634293843 /nfs/dbraw/zinc/29/38/43/634293843.db2.gz NZFYUOBPKYGBIM-UHFFFAOYSA-N 2 1 288.439 3.007 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1)C1CCCC1 ZINC000873232479 634294255 /nfs/dbraw/zinc/29/42/55/634294255.db2.gz RDFYHBPJJAJMHL-JFIYKMOQSA-N 2 1 294.483 3.033 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1Cl ZINC000873244740 634297987 /nfs/dbraw/zinc/29/79/87/634297987.db2.gz JKIBKQZNAXKOKH-VXGBXAGGSA-N 2 1 281.831 3.164 20 0 CGADMP COc1ccccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000019912875 634376394 /nfs/dbraw/zinc/37/63/94/634376394.db2.gz NPFMXIUGYFZIJY-OAHLLOKOSA-N 2 1 276.424 3.049 20 0 CGADMP COc1ccccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000019912875 634376400 /nfs/dbraw/zinc/37/64/00/634376400.db2.gz NPFMXIUGYFZIJY-OAHLLOKOSA-N 2 1 276.424 3.049 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](OC(C)C)c2ccccc2)C1 ZINC000876943285 634934103 /nfs/dbraw/zinc/93/41/03/634934103.db2.gz OQARNPLYZGVAFV-WMZOPIPTSA-N 2 1 290.451 3.084 20 0 CGADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000877046300 634962371 /nfs/dbraw/zinc/96/23/71/634962371.db2.gz LJQIAQASOIPGQJ-SJORKVTESA-N 2 1 294.483 3.212 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000842471918 635376704 /nfs/dbraw/zinc/37/67/04/635376704.db2.gz GZLVHWXOYSTLBT-QGZVFWFLSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000842471918 635376709 /nfs/dbraw/zinc/37/67/09/635376709.db2.gz GZLVHWXOYSTLBT-QGZVFWFLSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000842473502 635377716 /nfs/dbraw/zinc/37/77/16/635377716.db2.gz WQCSJAPYZQFEKT-GJZGRUSLSA-N 2 1 270.486 3.256 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC(C)(C)O2)C[C@@H]1C ZINC000878164031 635387150 /nfs/dbraw/zinc/38/71/50/635387150.db2.gz ZIDJWCJDTBZOHZ-JYJNAYRXSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC(C)(C)O2)C[C@@H]1C ZINC000878164031 635387154 /nfs/dbraw/zinc/38/71/54/635387154.db2.gz ZIDJWCJDTBZOHZ-JYJNAYRXSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC(C)(C)O2)C[C@@H]1C ZINC000878164031 635387158 /nfs/dbraw/zinc/38/71/58/635387158.db2.gz ZIDJWCJDTBZOHZ-JYJNAYRXSA-N 2 1 282.472 3.139 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(OC(F)F)c1 ZINC000843053955 635551756 /nfs/dbraw/zinc/55/17/56/635551756.db2.gz NBTDXYXJRCAQQL-AGUYFDCRSA-N 2 1 296.361 3.132 20 0 CGADMP C[N@@H+](CCCc1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000843354967 635652705 /nfs/dbraw/zinc/65/27/05/635652705.db2.gz HHLVJXSXZKQMNX-UHFFFAOYSA-N 2 1 280.843 3.474 20 0 CGADMP C[C@]1(C(F)(F)F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000880002828 635895192 /nfs/dbraw/zinc/89/51/92/635895192.db2.gz RPPVJLYRUPSKMY-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[C@]1(C(F)(F)F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000880002828 635895195 /nfs/dbraw/zinc/89/51/95/635895195.db2.gz RPPVJLYRUPSKMY-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000988 635895748 /nfs/dbraw/zinc/89/57/48/635895748.db2.gz ORKRMNGRBDXGJR-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000988 635895750 /nfs/dbraw/zinc/89/57/50/635895750.db2.gz ORKRMNGRBDXGJR-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000988 635895754 /nfs/dbraw/zinc/89/57/54/635895754.db2.gz ORKRMNGRBDXGJR-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCSC2)C1 ZINC000131152468 636563456 /nfs/dbraw/zinc/56/34/56/636563456.db2.gz MIYUNKTZUKQKHG-OWCLPIDISA-N 2 1 284.513 3.230 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883228380 636599001 /nfs/dbraw/zinc/59/90/01/636599001.db2.gz MATUJLCJJZHOBO-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(F)F)CC1(C)C ZINC000883251520 636623337 /nfs/dbraw/zinc/62/33/37/636623337.db2.gz SIWYEDVJGXQAQM-LLVKDONJSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[C@H](C)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883257580 636626890 /nfs/dbraw/zinc/62/68/90/636626890.db2.gz FWXGEOQRWODLJR-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)CC1(C)C ZINC000883264968 636635211 /nfs/dbraw/zinc/63/52/11/636635211.db2.gz OOIGEDFQRQTKKC-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP CCc1ccc(NC(=[NH2+])NCCC[N@@H+](C)CC(C)C)cc1 ZINC000849047070 636731403 /nfs/dbraw/zinc/73/14/03/636731403.db2.gz OXDMVIXZXSRQCU-UHFFFAOYSA-N 2 1 290.455 3.163 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000131740690 636744303 /nfs/dbraw/zinc/74/43/03/636744303.db2.gz XFDRRDQXWLPCEO-NEPJUHHUSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000131740690 636744311 /nfs/dbraw/zinc/74/43/11/636744311.db2.gz XFDRRDQXWLPCEO-NEPJUHHUSA-N 2 1 289.810 3.057 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429269 636752333 /nfs/dbraw/zinc/75/23/33/636752333.db2.gz QWZLSJUEJDFFEU-RBSFLKMASA-N 2 1 286.410 3.133 20 0 CGADMP C1=C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000850509675 637096218 /nfs/dbraw/zinc/09/62/18/637096218.db2.gz PKXAOBBTWBUZIP-MKXGPGLRSA-N 2 1 282.431 3.490 20 0 CGADMP C1=C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000850509677 637096273 /nfs/dbraw/zinc/09/62/73/637096273.db2.gz PKXAOBBTWBUZIP-OKYOBFRVSA-N 2 1 282.431 3.490 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886138322 637431215 /nfs/dbraw/zinc/43/12/15/637431215.db2.gz HQEPEWRFEZSSAU-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886138322 637431216 /nfs/dbraw/zinc/43/12/16/637431216.db2.gz HQEPEWRFEZSSAU-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886320041 637499783 /nfs/dbraw/zinc/49/97/83/637499783.db2.gz YUXKBOXZQLVJDZ-ZWKOTPCHSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(CF)cc1)C2 ZINC000852104650 637597377 /nfs/dbraw/zinc/59/73/77/637597377.db2.gz DTPDGGNGPDQMHK-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(CF)cc1)C2 ZINC000852104650 637597381 /nfs/dbraw/zinc/59/73/81/637597381.db2.gz DTPDGGNGPDQMHK-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(CF)cc1)C2 ZINC000852104650 637597387 /nfs/dbraw/zinc/59/73/87/637597387.db2.gz DTPDGGNGPDQMHK-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000886858005 637716145 /nfs/dbraw/zinc/71/61/45/637716145.db2.gz JIQPUKBSXKGPDW-IHRRRGAJSA-N 2 1 290.373 3.041 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134457 637755824 /nfs/dbraw/zinc/75/58/24/637755824.db2.gz KAKQDTMFMABDRY-UONOGXRCSA-N 2 1 297.393 3.274 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000854222543 638026325 /nfs/dbraw/zinc/02/63/25/638026325.db2.gz ILRGMHXAHDIIBY-BSDSXHPESA-N 2 1 272.436 3.156 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccns1 ZINC000924684749 638388915 /nfs/dbraw/zinc/38/89/15/638388915.db2.gz FPBMVCPRMKLBOG-UONOGXRCSA-N 2 1 281.469 3.306 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000924694213 638389907 /nfs/dbraw/zinc/38/99/07/638389907.db2.gz KXHAIIXRKMMWHK-QAPCUYQASA-N 2 1 289.467 3.113 20 0 CGADMP CC(C)(C)c1csc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925499773 638511810 /nfs/dbraw/zinc/51/18/10/638511810.db2.gz UDLVEMVPWPKXMM-VXGBXAGGSA-N 2 1 295.496 3.436 20 0 CGADMP CC(C)(C)c1csc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925499771 638512067 /nfs/dbraw/zinc/51/20/67/638512067.db2.gz UDLVEMVPWPKXMM-NWDGAFQWSA-N 2 1 295.496 3.436 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1 ZINC000925652266 638557891 /nfs/dbraw/zinc/55/78/91/638557891.db2.gz PGBONXOSIATVMP-BBRMVZONSA-N 2 1 258.409 3.387 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccccc1 ZINC000925660313 638560435 /nfs/dbraw/zinc/56/04/35/638560435.db2.gz KXVZKPMIZUAONX-LIRRHRJNSA-N 2 1 293.414 3.389 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)CC(F)F)c1ccccc1 ZINC000925734318 638588264 /nfs/dbraw/zinc/58/82/64/638588264.db2.gz QLVJPXQNHFJVDD-FZMZJTMJSA-N 2 1 270.367 3.346 20 0 CGADMP Clc1cscc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925770623 638605144 /nfs/dbraw/zinc/60/51/44/638605144.db2.gz JMQAJNJULAUYKT-MRVWCRGKSA-N 2 1 284.856 3.412 20 0 CGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1F ZINC000925840161 638629851 /nfs/dbraw/zinc/62/98/51/638629851.db2.gz HIDKUIQHCJWAMP-DAXOMENPSA-N 2 1 262.372 3.009 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1(C)C ZINC000858184113 638651803 /nfs/dbraw/zinc/65/18/03/638651803.db2.gz HOCSYHJYBNERSD-UBHSHLNASA-N 2 1 276.827 3.154 20 0 CGADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000926203515 638739415 /nfs/dbraw/zinc/73/94/15/638739415.db2.gz LJTVWJLYUXFCLO-GFCCVEGCSA-N 2 1 283.375 3.368 20 0 CGADMP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926736859 638805195 /nfs/dbraw/zinc/80/51/95/638805195.db2.gz BPPQPGBHXRYLJN-HPBDAGMYSA-N 2 1 274.452 3.053 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738905 638805588 /nfs/dbraw/zinc/80/55/88/638805588.db2.gz NFMIXFTZDBLIIF-LRDDRELGSA-N 2 1 291.439 3.064 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926738905 638805590 /nfs/dbraw/zinc/80/55/90/638805590.db2.gz NFMIXFTZDBLIIF-LRDDRELGSA-N 2 1 291.439 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnc3ccccc3c2)[C@H](C)C1 ZINC000926922149 638825951 /nfs/dbraw/zinc/82/59/51/638825951.db2.gz ZIQJYTVPGHLNER-CRAIPNDOSA-N 2 1 297.446 3.097 20 0 CGADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C[C@@H]21 ZINC000929719314 638944598 /nfs/dbraw/zinc/94/45/98/638944598.db2.gz NJOBQWHKKMSBNT-FPCVCCKLSA-N 2 1 298.421 3.086 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC000929792265 638952258 /nfs/dbraw/zinc/95/22/58/638952258.db2.gz YQBLVPHTFMEMHX-MRXNPFEDSA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000929792265 638952260 /nfs/dbraw/zinc/95/22/60/638952260.db2.gz YQBLVPHTFMEMHX-MRXNPFEDSA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000929792265 638952262 /nfs/dbraw/zinc/95/22/62/638952262.db2.gz YQBLVPHTFMEMHX-MRXNPFEDSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccccc3CF)C2)CC1 ZINC000930309091 638989607 /nfs/dbraw/zinc/98/96/07/638989607.db2.gz GEFUCEIFEUZTEN-UHFFFAOYSA-N 2 1 290.426 3.464 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](CCSc3ccccc3)C[C@]2(C)C1 ZINC000931312158 639133630 /nfs/dbraw/zinc/13/36/30/639133630.db2.gz VNUAYQBCHRPESH-IRXDYDNUSA-N 2 1 290.476 3.052 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931349447 639138607 /nfs/dbraw/zinc/13/86/07/639138607.db2.gz YWABYNYLCQLTGU-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP Nc1ccnc2c1C[N@H+](CC/C=C/c1ccccc1)CC2 ZINC000931515273 639163619 /nfs/dbraw/zinc/16/36/19/639163619.db2.gz CUTDCZOGSKMHHJ-XBXARRHUSA-N 2 1 279.387 3.125 20 0 CGADMP Cc1nccn1CCC[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931596263 639178220 /nfs/dbraw/zinc/17/82/20/639178220.db2.gz JDECFJPXJNYNLF-CQSZACIVSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931596263 639178224 /nfs/dbraw/zinc/17/82/24/639178224.db2.gz JDECFJPXJNYNLF-CQSZACIVSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931596263 639178229 /nfs/dbraw/zinc/17/82/29/639178229.db2.gz JDECFJPXJNYNLF-CQSZACIVSA-N 2 1 281.469 3.045 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931923751 639233602 /nfs/dbraw/zinc/23/36/02/639233602.db2.gz ABCNWMFBTZHWRG-RBUKOAKNSA-N 2 1 295.430 3.245 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931923751 639233607 /nfs/dbraw/zinc/23/36/07/639233607.db2.gz ABCNWMFBTZHWRG-RBUKOAKNSA-N 2 1 295.430 3.245 20 0 CGADMP CCC[C@@](C)([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000934179353 639552734 /nfs/dbraw/zinc/55/27/34/639552734.db2.gz DASVBVMMPJEYBA-QGZVFWFLSA-N 2 1 271.408 3.497 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)s1 ZINC000042489346 639917735 /nfs/dbraw/zinc/91/77/35/639917735.db2.gz CEBUWEBBTJKSSE-UHFFFAOYSA-N 2 1 260.834 3.352 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CCCC1 ZINC000093678225 640780490 /nfs/dbraw/zinc/78/04/90/640780490.db2.gz PNWOXKNXXIAAHD-MQVJKMGUSA-N 2 1 250.430 3.029 20 0 CGADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000250888070 640817912 /nfs/dbraw/zinc/81/79/12/640817912.db2.gz WXMQSEGDJCAYGJ-IKGGRYGDSA-N 2 1 292.467 3.085 20 0 CGADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000250888070 640817916 /nfs/dbraw/zinc/81/79/16/640817916.db2.gz WXMQSEGDJCAYGJ-IKGGRYGDSA-N 2 1 292.467 3.085 20 0 CGADMP C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000252092028 640837564 /nfs/dbraw/zinc/83/75/64/640837564.db2.gz DUQVHJHVKJUJPA-HNSVSWJLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415134415 640858488 /nfs/dbraw/zinc/85/84/88/640858488.db2.gz DTXPSPFBGQZPJS-WMZOPIPTSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415134415 640858493 /nfs/dbraw/zinc/85/84/93/640858493.db2.gz DTXPSPFBGQZPJS-WMZOPIPTSA-N 2 1 272.436 3.083 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252846159 640864331 /nfs/dbraw/zinc/86/43/31/640864331.db2.gz FKOVVGDDSMISLT-QOFRNUMZSA-N 2 1 280.362 3.085 20 0 CGADMP Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)nc(C(C)(C)C)n1 ZINC001156385365 805681132 /nfs/dbraw/zinc/68/11/32/805681132.db2.gz DTFHMKVEIMUAJX-CQSZACIVSA-N 2 1 290.455 3.226 20 0 CGADMP c1cn(C2CCCC2)c2nc[nH+]c(NCC[C@H]3CCC[NH2+]3)c12 ZINC001158627401 805979733 /nfs/dbraw/zinc/97/97/33/805979733.db2.gz ITIYZVAEPWXJKR-CYBMUJFWSA-N 2 1 299.422 3.100 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@](C)(C[NH3+])C1 ZINC001158678059 805984007 /nfs/dbraw/zinc/98/40/07/805984007.db2.gz AVAPTZFAVQTQDF-KRWDZBQOSA-N 2 1 269.392 3.108 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001159776108 806170575 /nfs/dbraw/zinc/17/05/75/806170575.db2.gz QRZKNUHCSJOBRN-HNNXBMFYSA-N 2 1 296.418 3.277 20 0 CGADMP Cc1[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc2[nH]ccc21 ZINC001160472809 806277833 /nfs/dbraw/zinc/27/78/33/806277833.db2.gz PRZVUAYABQQXMV-ZSOGYDGISA-N 2 1 284.407 3.299 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC1 ZINC001254505457 806424319 /nfs/dbraw/zinc/42/43/19/806424319.db2.gz GIYGYZHRGLMZCR-HNNXBMFYSA-N 2 1 282.378 3.274 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254505737 806425344 /nfs/dbraw/zinc/42/53/44/806425344.db2.gz IAYWDLDFBGMOTN-KRWDZBQOSA-N 2 1 290.451 3.090 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254509065 806427075 /nfs/dbraw/zinc/42/70/75/806427075.db2.gz VDDTYPVKMWTSAB-NVXWUHKLSA-N 2 1 260.425 3.438 20 0 CGADMP CC(C)[PH+](CC[NH2+][C@H]1CCC[N@@H+](C)CC1)C(C)C ZINC001254512080 806432250 /nfs/dbraw/zinc/43/22/50/806432250.db2.gz JCJREQWAYOAUML-HNNXBMFYSA-N 3 1 272.417 3.359 20 0 CGADMP CC(C)P(CC[NH2+][C@H]1CCC[N@H+](C)CC1)C(C)C ZINC001254512080 806432253 /nfs/dbraw/zinc/43/22/53/806432253.db2.gz JCJREQWAYOAUML-HNNXBMFYSA-N 2 1 272.417 3.359 20 0 CGADMP CC(C)P(CC[NH2+][C@H]1CCC[N@@H+](C)CC1)C(C)C ZINC001254512080 806432254 /nfs/dbraw/zinc/43/22/54/806432254.db2.gz JCJREQWAYOAUML-HNNXBMFYSA-N 2 1 272.417 3.359 20 0 CGADMP Cc1cccc(C2([NH2+][C@@H]3CCC[N@H+](C)CC3)CC2)c1 ZINC001254515257 806435919 /nfs/dbraw/zinc/43/59/19/806435919.db2.gz USDGYSHUXDMYMM-MRXNPFEDSA-N 2 1 258.409 3.058 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)Cc2ccccc21 ZINC001254516141 806436250 /nfs/dbraw/zinc/43/62/50/806436250.db2.gz IWSUNDKMWVMQGC-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)Cc2ccccc21 ZINC001254516141 806436255 /nfs/dbraw/zinc/43/62/55/806436255.db2.gz IWSUNDKMWVMQGC-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)Cc2ccccc21 ZINC001254516141 806436258 /nfs/dbraw/zinc/43/62/58/806436258.db2.gz IWSUNDKMWVMQGC-GOEBONIOSA-N 2 1 258.409 3.090 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001254521970 806437711 /nfs/dbraw/zinc/43/77/11/806437711.db2.gz ANHJKJZPEUPUEP-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001254521970 806437717 /nfs/dbraw/zinc/43/77/17/806437717.db2.gz ANHJKJZPEUPUEP-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001254521970 806437719 /nfs/dbraw/zinc/43/77/19/806437719.db2.gz ANHJKJZPEUPUEP-DLBZAZTESA-N 2 1 258.409 3.308 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(c3cccs3)CC2)CC1 ZINC001254523523 806437923 /nfs/dbraw/zinc/43/79/23/806437923.db2.gz OUEYEFSTOWHJCW-OAHLLOKOSA-N 2 1 278.465 3.412 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254523782 806438261 /nfs/dbraw/zinc/43/82/61/806438261.db2.gz ROQRBKZWESQNCG-NVXWUHKLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254523782 806438266 /nfs/dbraw/zinc/43/82/66/806438266.db2.gz ROQRBKZWESQNCG-NVXWUHKLSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523782 806438268 /nfs/dbraw/zinc/43/82/68/806438268.db2.gz ROQRBKZWESQNCG-NVXWUHKLSA-N 2 1 288.435 3.316 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525452 806438308 /nfs/dbraw/zinc/43/83/08/806438308.db2.gz IXZKUYSMIDKRKV-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525452 806438314 /nfs/dbraw/zinc/43/83/14/806438314.db2.gz IXZKUYSMIDKRKV-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP CC[NH+](Cc1cccc(OC)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525452 806438316 /nfs/dbraw/zinc/43/83/16/806438316.db2.gz IXZKUYSMIDKRKV-MRXNPFEDSA-N 2 1 276.424 3.001 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001254524905 806440097 /nfs/dbraw/zinc/44/00/97/806440097.db2.gz DQKRDKCGJVWXBM-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001254524905 806440102 /nfs/dbraw/zinc/44/01/02/806440102.db2.gz DQKRDKCGJVWXBM-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001254524905 806440107 /nfs/dbraw/zinc/44/01/07/806440107.db2.gz DQKRDKCGJVWXBM-RDJZCZTQSA-N 2 1 276.399 3.099 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530051 806442626 /nfs/dbraw/zinc/44/26/26/806442626.db2.gz UFAIJLKINNXYOU-MRXNPFEDSA-N 2 1 272.436 3.264 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530051 806442629 /nfs/dbraw/zinc/44/26/29/806442629.db2.gz UFAIJLKINNXYOU-MRXNPFEDSA-N 2 1 272.436 3.264 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530051 806442633 /nfs/dbraw/zinc/44/26/33/806442633.db2.gz UFAIJLKINNXYOU-MRXNPFEDSA-N 2 1 272.436 3.264 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C2Cc3ccccc3C2)CC1 ZINC001255015851 806527692 /nfs/dbraw/zinc/52/76/92/806527692.db2.gz LHSOTVDNRHJJTR-IYARVYRRSA-N 2 1 284.447 3.136 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CCSC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255275644 806590545 /nfs/dbraw/zinc/59/05/45/806590545.db2.gz MEOYNTQLACALRT-QEJZJMRPSA-N 2 1 270.486 3.252 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CCSC2)CC1 ZINC001255278171 806591124 /nfs/dbraw/zinc/59/11/24/806591124.db2.gz BWLCHDFZZUVEGM-JYJNAYRXSA-N 2 1 282.497 3.254 20 0 CGADMP C[N@@H+]([C@H]1CCSC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001255296698 806599684 /nfs/dbraw/zinc/59/96/84/806599684.db2.gz VEUZULBFUGNTLW-INIZCTEOSA-N 2 1 282.497 3.221 20 0 CGADMP CCCC[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001255317613 806609191 /nfs/dbraw/zinc/60/91/91/806609191.db2.gz PFQIVSVMKGWESY-CQSZACIVSA-N 3 1 271.493 3.040 20 0 CGADMP Cc1c[nH+]c(NC[C@]2(F)CCCC[NH2+]C2)c2ccccc12 ZINC001162580299 806623695 /nfs/dbraw/zinc/62/36/95/806623695.db2.gz UJHLSQDWCLUGHD-KRWDZBQOSA-N 2 1 287.382 3.437 20 0 CGADMP CCOCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255378826 806628257 /nfs/dbraw/zinc/62/82/57/806628257.db2.gz PNWVPBHBJCGGTE-GOSISDBHSA-N 2 1 290.451 3.057 20 0 CGADMP CC[C@H](COC)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388985 806630868 /nfs/dbraw/zinc/63/08/68/806630868.db2.gz BADGOXNCQAATCS-MSOLQXFVSA-N 2 1 290.451 3.056 20 0 CGADMP COC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001255452848 806642204 /nfs/dbraw/zinc/64/22/04/806642204.db2.gz VBCGYXDIQCXYQU-ADKAHSJRSA-N 2 1 294.483 3.188 20 0 CGADMP COC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001255452848 806642209 /nfs/dbraw/zinc/64/22/09/806642209.db2.gz VBCGYXDIQCXYQU-ADKAHSJRSA-N 2 1 294.483 3.188 20 0 CGADMP COC1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255454366 806643171 /nfs/dbraw/zinc/64/31/71/806643171.db2.gz UXUWCYSDNLLIBJ-FFXHRGSVSA-N 2 1 280.456 3.068 20 0 CGADMP C[N@H+]1CCC[C@@H](n2cc(CC[NH3+])c3c2cccc3Cl)C1 ZINC001255478835 806648389 /nfs/dbraw/zinc/64/83/89/806648389.db2.gz YRKNPZHWPJOFDA-CYBMUJFWSA-N 2 1 291.826 3.063 20 0 CGADMP C[N@H+]1CCC[C@@H](n2c([C@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001255488078 806650923 /nfs/dbraw/zinc/65/09/23/806650923.db2.gz XNDQHIBGXZGGKO-HZPDHXFCSA-N 2 1 283.419 3.333 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001255501943 806654602 /nfs/dbraw/zinc/65/46/02/806654602.db2.gz NMQAXQVTJVMSCZ-UHFFFAOYSA-N 2 1 275.440 3.346 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001255501943 806654605 /nfs/dbraw/zinc/65/46/05/806654605.db2.gz NMQAXQVTJVMSCZ-UHFFFAOYSA-N 2 1 275.440 3.346 20 0 CGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CCO1 ZINC001255532819 806666305 /nfs/dbraw/zinc/66/63/05/806666305.db2.gz KKSTVCDAQJZOCQ-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CCO1 ZINC001255532819 806666309 /nfs/dbraw/zinc/66/63/09/806666309.db2.gz KKSTVCDAQJZOCQ-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CCOC(C)(C)C1 ZINC001255545579 806670269 /nfs/dbraw/zinc/67/02/69/806670269.db2.gz HGKYQUSCWJNOHP-ULQDDVLXSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCOC(C)(C)C1 ZINC001255545579 806670272 /nfs/dbraw/zinc/67/02/72/806670272.db2.gz HGKYQUSCWJNOHP-ULQDDVLXSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCOC(C)(C)C1 ZINC001255545579 806670276 /nfs/dbraw/zinc/67/02/76/806670276.db2.gz HGKYQUSCWJNOHP-ULQDDVLXSA-N 2 1 294.483 3.283 20 0 CGADMP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649504 798872125 /nfs/dbraw/zinc/87/21/25/798872125.db2.gz CFEXMPIRNFYGRI-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CCCOc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000037996791 798883564 /nfs/dbraw/zinc/88/35/64/798883564.db2.gz XIIGSIKWDHIREB-UHFFFAOYSA-N 2 1 276.424 3.051 20 0 CGADMP C[C@H]1CC[C@H](C)C1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255675770 806702829 /nfs/dbraw/zinc/70/28/29/806702829.db2.gz HHMDTMHXCUHGKM-UUQIVFDPSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]1CC[C@H](C)C1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255675770 806702833 /nfs/dbraw/zinc/70/28/33/806702833.db2.gz HHMDTMHXCUHGKM-UUQIVFDPSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000218608681 799135475 /nfs/dbraw/zinc/13/54/75/799135475.db2.gz OYYURBNGNNYOQQ-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1cccnc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309918721 799220145 /nfs/dbraw/zinc/22/01/45/799220145.db2.gz VDLKAVUIVKZNJT-SFHVURJKSA-N 2 1 295.430 3.002 20 0 CGADMP Cc1cccnc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309918721 799220152 /nfs/dbraw/zinc/22/01/52/799220152.db2.gz VDLKAVUIVKZNJT-SFHVURJKSA-N 2 1 295.430 3.002 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000312595799 799228908 /nfs/dbraw/zinc/22/89/08/799228908.db2.gz DIQPNSHDNJKMBL-GFCCVEGCSA-N 2 1 286.341 3.266 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC3(C2)CCCCC3)C[C@@H](C)[NH2+]1 ZINC000381112916 799372479 /nfs/dbraw/zinc/37/24/79/799372479.db2.gz VAYBCRLSJILUGI-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000387372936 799445888 /nfs/dbraw/zinc/44/58/88/799445888.db2.gz ZEVPNMSLQNFXNN-ROIMYGTQSA-N 2 1 288.479 3.134 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000387372936 799445890 /nfs/dbraw/zinc/44/58/90/799445890.db2.gz ZEVPNMSLQNFXNN-ROIMYGTQSA-N 2 1 288.479 3.134 20 0 CGADMP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000388226208 799451564 /nfs/dbraw/zinc/45/15/64/799451564.db2.gz IOFSUJVRETWTMW-HNNXBMFYSA-N 2 1 298.430 3.217 20 0 CGADMP Cc1ccc(C[C@@H](C)n2c[nH+]cc2C2CC[NH2+]CC2)cc1 ZINC001255795537 806757523 /nfs/dbraw/zinc/75/75/23/806757523.db2.gz JDFLJWQXFKRWQG-OAHLLOKOSA-N 2 1 283.419 3.462 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)[C@H]1CC[NH3+] ZINC000404416477 799577395 /nfs/dbraw/zinc/57/73/95/799577395.db2.gz GOAIJMKJYBCNDM-GWCFXTLKSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc(Cl)cs2)[C@H]1CC[NH3+] ZINC000404416477 799577396 /nfs/dbraw/zinc/57/73/96/799577396.db2.gz GOAIJMKJYBCNDM-GWCFXTLKSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255840565 806764287 /nfs/dbraw/zinc/76/42/87/806764287.db2.gz FXILNUIVLLIVAT-QSPRXWTASA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255840565 806764290 /nfs/dbraw/zinc/76/42/90/806764290.db2.gz FXILNUIVLLIVAT-QSPRXWTASA-N 2 1 290.426 3.362 20 0 CGADMP c1c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)sc2c1C[NH2+]CC2 ZINC000687987072 799743120 /nfs/dbraw/zinc/74/31/20/799743120.db2.gz KVNVSOREKWZNHY-SWLSCSKDSA-N 2 1 276.449 3.158 20 0 CGADMP CC[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687964768 799743443 /nfs/dbraw/zinc/74/34/43/799743443.db2.gz XWBUMGONAGAHGK-ZDUSSCGKSA-N 2 1 264.438 3.158 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1(Cl)CC1 ZINC000695634705 799829946 /nfs/dbraw/zinc/82/99/46/799829946.db2.gz BGIRCOHNGVIJAR-OLZOCXBDSA-N 2 1 258.837 3.000 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697088021 799842732 /nfs/dbraw/zinc/84/27/32/799842732.db2.gz RSIODRYGUCDQDX-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000700817621 799880113 /nfs/dbraw/zinc/88/01/13/799880113.db2.gz SREXCXLFQSEBIB-VXGBXAGGSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000700817621 799880120 /nfs/dbraw/zinc/88/01/20/799880120.db2.gz SREXCXLFQSEBIB-VXGBXAGGSA-N 2 1 292.370 3.016 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cn1 ZINC001255947073 806793089 /nfs/dbraw/zinc/79/30/89/806793089.db2.gz NJXXPSDKWUOPKH-HUUCEWRRSA-N 2 1 263.429 3.161 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C3CCCCC3)C2)C1 ZINC000708293987 799985722 /nfs/dbraw/zinc/98/57/22/799985722.db2.gz GNSJNUHXYHYAHK-BMFZPTHFSA-N 2 1 250.430 3.016 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](CC)CC)c1ccccn1 ZINC001255947823 806793452 /nfs/dbraw/zinc/79/34/52/806793452.db2.gz XDROVQNCYYBPHO-LSDHHAIUSA-N 2 1 263.429 3.243 20 0 CGADMP CCCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708544226 799992772 /nfs/dbraw/zinc/99/27/72/799992772.db2.gz PINGJNNTRNPLIL-RDJZCZTQSA-N 2 1 260.425 3.144 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000708822587 799995310 /nfs/dbraw/zinc/99/53/10/799995310.db2.gz OQPIXKHATVWVQG-NUEKZKHPSA-N 2 1 250.430 3.016 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(C(C)(C)C)cs1 ZINC000710836293 800039924 /nfs/dbraw/zinc/03/99/24/800039924.db2.gz HXXOVHIDGIXLAG-UHFFFAOYSA-N 2 1 283.485 3.392 20 0 CGADMP C[N@H+](CCCCCC[NH3+])Cc1c(F)cccc1Cl ZINC000710799444 800040139 /nfs/dbraw/zinc/04/01/39/800040139.db2.gz PFRXOWGMBCIIKE-UHFFFAOYSA-N 2 1 272.795 3.430 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1c(F)cccc1Cl ZINC000710799444 800040142 /nfs/dbraw/zinc/04/01/42/800040142.db2.gz PFRXOWGMBCIIKE-UHFFFAOYSA-N 2 1 272.795 3.430 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCCC1 ZINC000711088190 800047007 /nfs/dbraw/zinc/04/70/07/800047007.db2.gz BJOPHWHIDQVLKK-LTIDMASMSA-N 2 1 264.457 3.275 20 0 CGADMP C1=C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000711711828 800069571 /nfs/dbraw/zinc/06/95/71/800069571.db2.gz RRYOGWQYBPWDEB-MRXNPFEDSA-N 2 1 270.420 3.207 20 0 CGADMP CCCc1nc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cs1 ZINC000714501950 800123920 /nfs/dbraw/zinc/12/39/20/800123920.db2.gz WLNWTPHJWFRPOA-UHFFFAOYSA-N 2 1 295.496 3.293 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716720976 800178120 /nfs/dbraw/zinc/17/81/20/800178120.db2.gz ZDMHTRKGAJWCDY-HYEGPXJVSA-N 2 1 284.447 3.428 20 0 CGADMP Fc1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC001256071540 806811303 /nfs/dbraw/zinc/81/13/03/806811303.db2.gz CTVPFZAAJXRLPI-SFHVURJKSA-N 2 1 288.410 3.493 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCCC2)C[C@@H]1C(F)(F)F ZINC000720888857 800271233 /nfs/dbraw/zinc/27/12/33/800271233.db2.gz NNSWCICKAZHSMO-KBPBESRZSA-N 2 1 292.389 3.416 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723574442 800329568 /nfs/dbraw/zinc/32/95/68/800329568.db2.gz RBOMERWQJXZEES-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723563945 800329908 /nfs/dbraw/zinc/32/99/08/800329908.db2.gz BQACMUXEYAXBAI-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723574440 800330346 /nfs/dbraw/zinc/33/03/46/800330346.db2.gz RBOMERWQJXZEES-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CSCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000725112287 800373620 /nfs/dbraw/zinc/37/36/20/800373620.db2.gz IAFBZUQQAGUECV-QGZVFWFLSA-N 2 1 292.492 3.370 20 0 CGADMP COc1cccc(C[C@H](C)n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001256169502 806842779 /nfs/dbraw/zinc/84/27/79/806842779.db2.gz LGFLYDYKAPXSJZ-AWEZNQCLSA-N 2 1 299.418 3.162 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C2CCN(C)CC2)cc1 ZINC001256207536 806848758 /nfs/dbraw/zinc/84/87/58/806848758.db2.gz LORKCXYNERPSHD-KRWDZBQOSA-N 2 1 258.409 3.226 20 0 CGADMP Cc1ccc[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001163988346 806869992 /nfs/dbraw/zinc/86/99/92/806869992.db2.gz MNWPVBCXFDHJTP-UHFFFAOYSA-N 2 1 255.365 3.064 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001256437536 806897839 /nfs/dbraw/zinc/89/78/39/806897839.db2.gz SMHRPTNDQUBNBY-OTBWCIGPSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C23CC(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256523479 806908823 /nfs/dbraw/zinc/90/88/23/806908823.db2.gz OWZFBLJCEHCSSI-VNCIIQTRSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C23CC(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256523479 806908827 /nfs/dbraw/zinc/90/88/27/806908827.db2.gz OWZFBLJCEHCSSI-VNCIIQTRSA-N 2 1 270.420 3.182 20 0 CGADMP FC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC001256600359 806923621 /nfs/dbraw/zinc/92/36/21/806923621.db2.gz DQMCQVPBOLSEBJ-UHFFFAOYSA-N 2 1 276.399 3.133 20 0 CGADMP FC[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256611099 806925263 /nfs/dbraw/zinc/92/52/63/806925263.db2.gz NORVDXNDNRESOJ-KRWDZBQOSA-N 2 1 290.426 3.333 20 0 CGADMP FC[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256611099 806925266 /nfs/dbraw/zinc/92/52/66/806925266.db2.gz NORVDXNDNRESOJ-KRWDZBQOSA-N 2 1 290.426 3.333 20 0 CGADMP CC(C)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001256621174 806928862 /nfs/dbraw/zinc/92/88/62/806928862.db2.gz LVWULVGIKRPBMA-ALOPSCKCSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC001116289709 802326820 /nfs/dbraw/zinc/32/68/20/802326820.db2.gz ZFGNRJGTFOWKFJ-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC001116289709 802326829 /nfs/dbraw/zinc/32/68/29/802326829.db2.gz ZFGNRJGTFOWKFJ-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)Cc1c(F)cccc1Cl ZINC001172845443 808458808 /nfs/dbraw/zinc/45/88/08/808458808.db2.gz LVSRPWNEMWAWMG-LBPRGKRZSA-N 2 1 286.822 3.469 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)c1cc(F)ccc1F ZINC001118057277 802520686 /nfs/dbraw/zinc/52/06/86/802520686.db2.gz CBTHLBURJYURFL-IINYFYTJSA-N 2 1 256.340 3.004 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC001118121193 802527166 /nfs/dbraw/zinc/52/71/66/802527166.db2.gz BIGATHUJFHAJFG-NEPJUHHUSA-N 2 1 286.366 3.245 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC001118121926 802527352 /nfs/dbraw/zinc/52/73/52/802527352.db2.gz KYOQZCABBTZIMR-JFGNBEQYSA-N 2 1 270.467 3.261 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118180701 802534618 /nfs/dbraw/zinc/53/46/18/802534618.db2.gz LUFWQUQXNRNXSN-UHFFFAOYSA-N 2 1 284.403 3.398 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118198572 802536457 /nfs/dbraw/zinc/53/64/57/802536457.db2.gz PLHNMUZRJUVWSX-UHFFFAOYSA-N 2 1 272.436 3.215 20 0 CGADMP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC001119683827 802691294 /nfs/dbraw/zinc/69/12/94/802691294.db2.gz HUSPVNWCJWMOLG-RLAWYHOSSA-N 2 1 290.373 3.181 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001120071859 802733159 /nfs/dbraw/zinc/73/31/59/802733159.db2.gz OBAJPBIXLYHVRH-RBSFLKMASA-N 2 1 294.389 3.127 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256905027 807007139 /nfs/dbraw/zinc/00/71/39/807007139.db2.gz MWAGOSJSQNHXEM-PQUAAJSLSA-N 2 1 294.483 3.331 20 0 CGADMP CCOC1CCC([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256905027 807007147 /nfs/dbraw/zinc/00/71/47/807007147.db2.gz MWAGOSJSQNHXEM-PQUAAJSLSA-N 2 1 294.483 3.331 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)s1 ZINC001205280902 812928609 /nfs/dbraw/zinc/92/86/09/812928609.db2.gz LKGFYLOVMCUXAI-CQSZACIVSA-N 2 1 252.427 3.014 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001206809386 813443376 /nfs/dbraw/zinc/44/33/76/813443376.db2.gz LNZQUAMOVURCJE-ZBFHGGJFSA-N 2 1 290.451 3.423 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208185538 813735773 /nfs/dbraw/zinc/73/57/73/813735773.db2.gz FMZRKPKIUASLLR-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CCCC1 ZINC001208186526 813735955 /nfs/dbraw/zinc/73/59/55/813735955.db2.gz SYKMFYVLVMSJSK-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2[nH]c(C)cc2C)CC1 ZINC001137332161 803717693 /nfs/dbraw/zinc/71/76/93/803717693.db2.gz JCMRRCVONVUZSX-UHFFFAOYSA-N 2 1 277.456 3.328 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2[nH]c(C)cc2C)CC1 ZINC001137332161 803717697 /nfs/dbraw/zinc/71/76/97/803717697.db2.gz JCMRRCVONVUZSX-UHFFFAOYSA-N 2 1 277.456 3.328 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137631929 803747994 /nfs/dbraw/zinc/74/79/94/803747994.db2.gz IFNHYCOEWGCATQ-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137631929 803747996 /nfs/dbraw/zinc/74/79/96/803747996.db2.gz IFNHYCOEWGCATQ-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc(F)nc1 ZINC001137741635 803766808 /nfs/dbraw/zinc/76/68/08/803766808.db2.gz MACAEQMLARHQQG-JKSUJKDBSA-N 2 1 291.414 3.060 20 0 CGADMP C[N@H+](Cc1ccc(O)c2ccccc12)CC1CC[NH+](C)CC1 ZINC001138059406 803844293 /nfs/dbraw/zinc/84/42/93/803844293.db2.gz CWEMBQVGNSAVDY-UHFFFAOYSA-N 2 1 298.430 3.319 20 0 CGADMP CCc1cccc2c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001138365587 803907381 /nfs/dbraw/zinc/90/73/81/803907381.db2.gz KGYVIXPTYRLBBD-LJQANCHMSA-N 2 1 297.446 3.258 20 0 CGADMP COC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138544755 803965089 /nfs/dbraw/zinc/96/50/89/803965089.db2.gz OHXWBICITZKUJA-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP COC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138544755 803965094 /nfs/dbraw/zinc/96/50/94/803965094.db2.gz OHXWBICITZKUJA-GOSISDBHSA-N 2 1 299.418 3.182 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138768847 804036006 /nfs/dbraw/zinc/03/60/06/804036006.db2.gz DMZZUAKHQQUBJH-IYBDPMFKSA-N 2 1 290.451 3.390 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC001246073487 804112780 /nfs/dbraw/zinc/11/27/80/804112780.db2.gz ZGIQZJHIEDMEAM-CABCVRRESA-N 2 1 264.388 3.082 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246098205 804129510 /nfs/dbraw/zinc/12/95/10/804129510.db2.gz PZGMFAIAMORMBZ-JMSVASOKSA-N 2 1 298.883 3.408 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)cc1 ZINC001246101583 804135852 /nfs/dbraw/zinc/13/58/52/804135852.db2.gz ADJVCNHNSJCROV-RVKKMQEKSA-N 2 1 274.452 3.158 20 0 CGADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c(Cl)cccc3C2)[NH2+]C1 ZINC001246107644 804140162 /nfs/dbraw/zinc/14/01/62/804140162.db2.gz STJGINAYMBQOSU-VHDGCEQUSA-N 2 1 292.854 3.175 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1C[NH2+]C[C@@H]1C ZINC001246110898 804142550 /nfs/dbraw/zinc/14/25/50/804142550.db2.gz WDULAWHOGNTMDO-RBZYPMLTSA-N 2 1 287.234 3.122 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246118042 804149322 /nfs/dbraw/zinc/14/93/22/804149322.db2.gz UZGBQKWGQPQVLS-UAKXVISKSA-N 2 1 299.245 3.048 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C[NH2+]1 ZINC001246157232 804173788 /nfs/dbraw/zinc/17/37/88/804173788.db2.gz BEWDPICFZXKXIO-WBVHZDCISA-N 2 1 296.414 3.361 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)CN1 ZINC001246161444 804177432 /nfs/dbraw/zinc/17/74/32/804177432.db2.gz YMCFSGVDDSNOSD-GHMZBOCLSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)C[NH2+]1 ZINC001246161444 804177435 /nfs/dbraw/zinc/17/74/35/804177435.db2.gz YMCFSGVDDSNOSD-GHMZBOCLSA-N 2 1 287.234 3.266 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)C)C2)cc1Cl ZINC001246171839 804186664 /nfs/dbraw/zinc/18/66/64/804186664.db2.gz FIQUSLMAEMJJBG-DZGCQCFKSA-N 2 1 296.842 3.215 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175911 804190597 /nfs/dbraw/zinc/19/05/97/804190597.db2.gz IVTZRNWFCAUYOC-SJLPKXTDSA-N 3 1 295.515 3.281 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CC[NH2+]1 ZINC001246175911 804190601 /nfs/dbraw/zinc/19/06/01/804190601.db2.gz IVTZRNWFCAUYOC-SJLPKXTDSA-N 3 1 295.515 3.281 20 0 CGADMP F[C@]1(C[NH2+]C2CCC3(CCCC3)CC2)CCC[NH2+]C1 ZINC001246187391 804198528 /nfs/dbraw/zinc/19/85/28/804198528.db2.gz ZJLANMYNXVGZOV-MRXNPFEDSA-N 2 1 268.420 3.171 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC001246221356 804216238 /nfs/dbraw/zinc/21/62/38/804216238.db2.gz NUXHWAVYESMMDK-IPYPFGDCSA-N 2 1 288.426 3.426 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246231288 804223589 /nfs/dbraw/zinc/22/35/89/804223589.db2.gz PAQZDWZNJGRJET-MJBXVCDLSA-N 2 1 276.415 3.426 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCC2CCCCCCC2)C[NH2+]1 ZINC001246240750 804231840 /nfs/dbraw/zinc/23/18/40/804231840.db2.gz WTOGAXGKYKDDAV-ZBFHGGJFSA-N 2 1 252.446 3.467 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)c(Cl)c1 ZINC001246261387 804243082 /nfs/dbraw/zinc/24/30/82/804243082.db2.gz CYUVQIOWHOTISP-ZDUSSCGKSA-N 2 1 266.816 3.269 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246265055 804245836 /nfs/dbraw/zinc/24/58/36/804245836.db2.gz HOMBUGOQHJEBCW-NWDGAFQWSA-N 2 1 298.352 3.425 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246279366 804255483 /nfs/dbraw/zinc/25/54/83/804255483.db2.gz MVNXTRHHYKRUCL-GJZGRUSLSA-N 2 1 282.378 3.320 20 0 CGADMP Cc1cc(O)cc(C)c1C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001139715704 804264526 /nfs/dbraw/zinc/26/45/26/804264526.db2.gz COMANKZMHSOJNL-UHFFFAOYSA-N 2 1 290.451 3.314 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299342 804266870 /nfs/dbraw/zinc/26/68/70/804266870.db2.gz JJDRTSMAAMAZMD-PVAVHDDUSA-N 2 1 262.441 3.361 20 0 CGADMP CC/C=C/[NH2+][C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246301123 804267654 /nfs/dbraw/zinc/26/76/54/804267654.db2.gz VMQFMBHERHVBLL-SLMWNZGVSA-N 2 1 262.372 3.441 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246318024 804276856 /nfs/dbraw/zinc/27/68/56/804276856.db2.gz OSLNFJIMEOVTNH-STQMWFEESA-N 2 1 284.469 3.397 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246316826 804277050 /nfs/dbraw/zinc/27/70/50/804277050.db2.gz JHSBLMJLZCSCLT-GXSJLCMTSA-N 2 1 290.785 3.266 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246320619 804278390 /nfs/dbraw/zinc/27/83/90/804278390.db2.gz ZLTBUDUTMZQUOE-SKDRFNHKSA-N 2 1 275.223 3.251 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(OC)c2)CC[NH2+]1 ZINC001246319479 804278538 /nfs/dbraw/zinc/27/85/38/804278538.db2.gz WTNLPCGSUSTAOE-CVEARBPZSA-N 2 1 294.414 3.235 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246319939 804279415 /nfs/dbraw/zinc/27/94/15/804279415.db2.gz XKYGGNGLUUGYHE-FICVDOATSA-N 2 1 294.414 3.233 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1C(F)F ZINC001139803093 804287204 /nfs/dbraw/zinc/28/72/04/804287204.db2.gz YYMGWCWXSCQJMB-UHFFFAOYSA-N 2 1 270.367 3.398 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C(F)F ZINC001139803093 804287214 /nfs/dbraw/zinc/28/72/14/804287214.db2.gz YYMGWCWXSCQJMB-UHFFFAOYSA-N 2 1 270.367 3.398 20 0 CGADMP CC[C@H](C)C1CCC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246332780 804287282 /nfs/dbraw/zinc/28/72/82/804287282.db2.gz IGFFOQQOQRWHNF-RKVQBDSKSA-N 2 1 252.446 3.321 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCCCCCCCCCC[NH3+])C[NH2+]1 ZINC001246332039 804288539 /nfs/dbraw/zinc/28/85/39/804288539.db2.gz DAFURAKSTQKIHC-IRXDYDNUSA-N 3 1 283.504 3.186 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC(C)(C)C1 ZINC001246340749 804292346 /nfs/dbraw/zinc/29/23/46/804292346.db2.gz KNXULCLKOGGRQS-YVECIDJPSA-N 2 1 292.389 3.331 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246357528 804303880 /nfs/dbraw/zinc/30/38/80/804303880.db2.gz VXMYUEHDXUDRFD-CFAJVAMVSA-N 2 1 273.424 3.052 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2F)C[C@H](CC)[NH2+]1 ZINC001246358506 804303962 /nfs/dbraw/zinc/30/39/62/804303962.db2.gz QMHWVICBZWCLMC-QDMKHBRRSA-N 2 1 294.414 3.233 20 0 CGADMP C[C@H]1CC([NH2+]C2(c3ccccc3F)CCC2)C[C@H](C)[NH2+]1 ZINC001246365476 804306291 /nfs/dbraw/zinc/30/62/91/804306291.db2.gz KQVHMWCDOQUKFQ-STQMWFEESA-N 2 1 276.399 3.324 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3F)CCC2)C[NH2+]1 ZINC001246396155 804319729 /nfs/dbraw/zinc/31/97/29/804319729.db2.gz XMCDOBFNZLLQBO-ZBFHGGJFSA-N 2 1 290.426 3.269 20 0 CGADMP Clc1cncc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC001246400221 804322237 /nfs/dbraw/zinc/32/22/37/804322237.db2.gz NLOLXSZGHOREOP-VFSICIBPSA-N 2 1 291.826 3.059 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246407029 804323800 /nfs/dbraw/zinc/32/38/00/804323800.db2.gz SKORCHSCFHBRAV-JOCBIADPSA-N 2 1 293.499 3.032 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246408887 804324642 /nfs/dbraw/zinc/32/46/42/804324642.db2.gz XRKUCAIIGRWCDE-AHCXZYCDSA-N 3 1 293.499 3.032 20 0 CGADMP COc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001246469437 804347126 /nfs/dbraw/zinc/34/71/26/804347126.db2.gz QHSHVBBVYFTMDI-DPXCBNATSA-N 2 1 286.419 3.019 20 0 CGADMP CCC1CCC([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC001246478791 804354400 /nfs/dbraw/zinc/35/44/00/804354400.db2.gz BODXATTWXALXGL-ROKHWSDSSA-N 2 1 274.399 3.180 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246498121 804361894 /nfs/dbraw/zinc/36/18/94/804361894.db2.gz IMBSZHLUTGTYJF-PBFPGSCMSA-N 2 1 294.389 3.462 20 0 CGADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCCCCC1 ZINC001246505192 804365618 /nfs/dbraw/zinc/36/56/18/804365618.db2.gz RDXRNJQTXVBZAI-HNNXBMFYSA-N 2 1 298.471 3.138 20 0 CGADMP Clc1ccc([C@H](C[NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246514128 804370130 /nfs/dbraw/zinc/37/01/30/804370130.db2.gz HFPDVFSJAQXIEZ-JKSUJKDBSA-N 2 1 278.827 3.175 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CC[NH2+]1 ZINC001246521230 804375280 /nfs/dbraw/zinc/37/52/80/804375280.db2.gz YHXHADOSRDQKLD-HOCLYGCPSA-N 2 1 260.425 3.428 20 0 CGADMP FC1(F)CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246528284 804382067 /nfs/dbraw/zinc/38/20/67/804382067.db2.gz PFDPUGMIILBSII-UHFFFAOYSA-N 2 1 272.383 3.030 20 0 CGADMP FC1(F)CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246528284 804382075 /nfs/dbraw/zinc/38/20/75/804382075.db2.gz PFDPUGMIILBSII-UHFFFAOYSA-N 2 1 272.383 3.030 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246540651 804390648 /nfs/dbraw/zinc/39/06/48/804390648.db2.gz BWTKKHRQJAKGRH-HOCLYGCPSA-N 2 1 270.420 3.280 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246544796 804394224 /nfs/dbraw/zinc/39/42/24/804394224.db2.gz ZEUKZMBQCVQKSW-KGLIPLIRSA-N 2 1 278.827 3.011 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246550166 804400729 /nfs/dbraw/zinc/40/07/29/804400729.db2.gz UUNLGYQECPCAAX-RBUKOAKNSA-N 2 1 284.447 3.275 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246551105 804400873 /nfs/dbraw/zinc/40/08/73/804400873.db2.gz KREDBJWQCDONFB-RHSMWYFYSA-N 2 1 294.389 3.025 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC001246551231 804400923 /nfs/dbraw/zinc/40/09/23/804400923.db2.gz XNQRTXWXFDQULR-NUEKZKHPSA-N 2 1 258.409 3.136 20 0 CGADMP COc1ccc(CC[C@H](C)[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246551028 804400970 /nfs/dbraw/zinc/40/09/70/804400970.db2.gz JWYLGOFRNUSLDJ-YJBOKZPZSA-N 2 1 290.451 3.220 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246554937 804404093 /nfs/dbraw/zinc/40/40/93/804404093.db2.gz CZXWODVEVOEIEM-JONQDZQNSA-N 2 1 252.446 3.418 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001246555250 804404135 /nfs/dbraw/zinc/40/41/35/804404135.db2.gz GBELVBVNISQAFM-CZUORRHYSA-N 2 1 296.405 3.096 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246554527 804404288 /nfs/dbraw/zinc/40/42/88/804404288.db2.gz VZJGPHFCKHJTGC-MGPQQGTHSA-N 2 1 296.455 3.223 20 0 CGADMP F[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246557188 804405684 /nfs/dbraw/zinc/40/56/84/804405684.db2.gz FTFVXUHSSWWSJH-SQNIBIBYSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559417 804407611 /nfs/dbraw/zinc/40/76/11/804407611.db2.gz BCZTWGKNJNCMCB-BGTYHANMSA-N 2 1 272.436 3.382 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246559720 804408047 /nfs/dbraw/zinc/40/80/47/804408047.db2.gz PPXSYPWEGSHXGA-DOTOQJQBSA-N 2 1 260.425 3.285 20 0 CGADMP CCCC1CCC([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246558334 804408255 /nfs/dbraw/zinc/40/82/55/804408255.db2.gz PDESOOQMNIKCSZ-ROKHWSDSSA-N 2 1 274.399 3.261 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246563766 804411125 /nfs/dbraw/zinc/41/11/25/804411125.db2.gz LTECQEWKQGDRFU-RDBSUJKOSA-N 2 1 296.455 3.366 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246565152 804413154 /nfs/dbraw/zinc/41/31/54/804413154.db2.gz OQGAXFABQRQSTH-CGTJXYLNSA-N 2 1 274.452 3.457 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246563823 804413607 /nfs/dbraw/zinc/41/36/07/804413607.db2.gz UYSSKCKIRZZVOC-HOTGVXAUSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C[C@@H](C)C1 ZINC001246566663 804413958 /nfs/dbraw/zinc/41/39/58/804413958.db2.gz JIWPTZVYAZUKOU-LEOABGAYSA-N 2 1 252.446 3.118 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C[C@@H](C)C1 ZINC001246566698 804415813 /nfs/dbraw/zinc/41/58/13/804415813.db2.gz JIWPTZVYAZUKOU-ZVDSWSACSA-N 2 1 252.446 3.118 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CCC[C@@H]1C[NH3+] ZINC001246570153 804416955 /nfs/dbraw/zinc/41/69/55/804416955.db2.gz SYWWZRLGBBUWDX-BPLDGKMQSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC3(CC3)CC2)CCC[C@H]1C[NH3+] ZINC001246570174 804417527 /nfs/dbraw/zinc/41/75/27/804417527.db2.gz TZZLAKWAPJMUOK-KGLIPLIRSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@H]1C[N@H+](C2CCC(C(F)(F)F)CC2)CCC[C@@H]1C[NH3+] ZINC001246573077 804420766 /nfs/dbraw/zinc/42/07/66/804420766.db2.gz YYLMVYVHRXZAER-MRFVTOPCSA-N 2 1 292.389 3.414 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@H]1C ZINC001246573042 804420895 /nfs/dbraw/zinc/42/08/95/804420895.db2.gz DZXQYBRQCRGEEG-LVQVYYBASA-N 2 1 252.446 3.262 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)CC2)C[C@H](CC)[NH2+]1 ZINC001246584428 804428127 /nfs/dbraw/zinc/42/81/27/804428127.db2.gz AMHHWUKPUXPYBD-LVQVYYBASA-N 2 1 252.446 3.418 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584825 804428230 /nfs/dbraw/zinc/42/82/30/804428230.db2.gz VBPUUXDCGBMXIQ-JQHSSLGASA-N 2 1 272.436 3.384 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246585467 804430005 /nfs/dbraw/zinc/43/00/05/804430005.db2.gz KYIROCUKMJWMBM-XQLPTFJDSA-N 2 1 258.425 3.208 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246585467 804430009 /nfs/dbraw/zinc/43/00/09/804430009.db2.gz KYIROCUKMJWMBM-XQLPTFJDSA-N 2 1 258.425 3.208 20 0 CGADMP COc1ccccc1C[C@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246587243 804430328 /nfs/dbraw/zinc/43/03/28/804430328.db2.gz WJLBDHMKQYAMPJ-YJBOKZPZSA-N 2 1 290.451 3.077 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001246585644 804430386 /nfs/dbraw/zinc/43/03/86/804430386.db2.gz YNNRSMMRBDYLKA-WMZOPIPTSA-N 2 1 274.452 3.377 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@](C)(C[NH3+])C1)CC2 ZINC001246589886 804432078 /nfs/dbraw/zinc/43/20/78/804432078.db2.gz GDQKLRDKOYGIRP-RTBURBONSA-N 2 1 286.463 3.303 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591956 804434255 /nfs/dbraw/zinc/43/42/55/804434255.db2.gz JYICUDLPVUFBEX-SJORKVTESA-N 2 1 292.854 3.258 20 0 CGADMP CC(C)COCC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246594294 804435806 /nfs/dbraw/zinc/43/58/06/804435806.db2.gz PUUIJEGDYCPDHQ-DLBZAZTESA-N 2 1 284.488 3.290 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246599040 804438471 /nfs/dbraw/zinc/43/84/71/804438471.db2.gz AFGQXSXLGPBOQE-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]23CCC[NH2+]C3)CC(C)(C)C1 ZINC001246602085 804440441 /nfs/dbraw/zinc/44/04/41/804440441.db2.gz IYOAKHDLFZFADL-FMKPAKJESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C[C@H]1C ZINC001246605483 804441392 /nfs/dbraw/zinc/44/13/92/804441392.db2.gz KFHPRXYUMZTBEI-NCOADZHNSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246606806 804441466 /nfs/dbraw/zinc/44/14/66/804441466.db2.gz BXUJUPNVSXJARF-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246608907 804443136 /nfs/dbraw/zinc/44/31/36/804443136.db2.gz VZCDDDWBPKRHPU-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)CC(C)(C)C1 ZINC001246611534 804445642 /nfs/dbraw/zinc/44/56/42/804445642.db2.gz UHUBIIMOMNDMPC-INMHGKMJSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246611990 804446184 /nfs/dbraw/zinc/44/61/84/804446184.db2.gz VXWWPJWRDOIRPJ-CVEARBPZSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246612244 804446858 /nfs/dbraw/zinc/44/68/58/804446858.db2.gz HXVWOLWIORRZDR-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC(C)(C)C1 ZINC001246613853 804448566 /nfs/dbraw/zinc/44/85/66/804448566.db2.gz RAXNEDXHNBOYIY-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246614333 804448752 /nfs/dbraw/zinc/44/87/52/804448752.db2.gz RRVWRYWAHWIVFO-HNNXBMFYSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246617937 804451519 /nfs/dbraw/zinc/45/15/19/804451519.db2.gz DXEBTSBWGSDEJL-KBAYOESNSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001246618312 804452272 /nfs/dbraw/zinc/45/22/72/804452272.db2.gz JWQVMEUVLICLSL-JCYILVPMSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCC34CCCC4)CC[NH2+]2)cc1 ZINC001246626890 804458722 /nfs/dbraw/zinc/45/87/22/804458722.db2.gz UFEQXJDNEWGTMM-QZTJIDSGSA-N 2 1 284.447 3.368 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246627051 804459140 /nfs/dbraw/zinc/45/91/40/804459140.db2.gz WPHQOQLHFBTSNL-CQSZACIVSA-N 2 1 292.854 3.489 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246631497 804462027 /nfs/dbraw/zinc/46/20/27/804462027.db2.gz UDOZCCCXUOLTNO-LUKYLMHMSA-N 2 1 266.473 3.379 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246631240 804462055 /nfs/dbraw/zinc/46/20/55/804462055.db2.gz BXMWZOSXSLUNBS-SLTXQBBLSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246631240 804462059 /nfs/dbraw/zinc/46/20/59/804462059.db2.gz BXMWZOSXSLUNBS-SLTXQBBLSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246631501 804462349 /nfs/dbraw/zinc/46/23/49/804462349.db2.gz UDOZCCCXUOLTNO-VQHPVUNQSA-N 2 1 266.473 3.379 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246633553 804464537 /nfs/dbraw/zinc/46/45/37/804464537.db2.gz DXJUGLKERGKESP-KZNAEPCWSA-N 2 1 272.436 3.224 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246633553 804464543 /nfs/dbraw/zinc/46/45/43/804464543.db2.gz DXJUGLKERGKESP-KZNAEPCWSA-N 2 1 272.436 3.224 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246636673 804465725 /nfs/dbraw/zinc/46/57/25/804465725.db2.gz DNTAKJOYSAYCSG-QGZVFWFLSA-N 2 1 286.463 3.392 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246636671 804465798 /nfs/dbraw/zinc/46/57/98/804465798.db2.gz DNTAKJOYSAYCSG-KRWDZBQOSA-N 2 1 286.463 3.392 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246636800 804466261 /nfs/dbraw/zinc/46/62/61/804466261.db2.gz WZDCZKZOLLCSPO-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246640771 804467029 /nfs/dbraw/zinc/46/70/29/804467029.db2.gz RZXWBQFLJMTINW-BSDSXHPESA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246640771 804467032 /nfs/dbraw/zinc/46/70/32/804467032.db2.gz RZXWBQFLJMTINW-BSDSXHPESA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640122 804467876 /nfs/dbraw/zinc/46/78/76/804467876.db2.gz BEKVOECWZOFBQY-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246646712 804473999 /nfs/dbraw/zinc/47/39/99/804473999.db2.gz HLIVHHXLXSFGHU-KSZLIROESA-N 2 1 272.436 3.082 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246646712 804474001 /nfs/dbraw/zinc/47/40/01/804474001.db2.gz HLIVHHXLXSFGHU-KSZLIROESA-N 2 1 272.436 3.082 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246648016 804475778 /nfs/dbraw/zinc/47/57/78/804475778.db2.gz JYRGXANJFQKROF-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246648016 804475781 /nfs/dbraw/zinc/47/57/81/804475781.db2.gz JYRGXANJFQKROF-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246648013 804475933 /nfs/dbraw/zinc/47/59/33/804475933.db2.gz JYRGXANJFQKROF-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246648013 804475935 /nfs/dbraw/zinc/47/59/35/804475935.db2.gz JYRGXANJFQKROF-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650018 804476430 /nfs/dbraw/zinc/47/64/30/804476430.db2.gz GBHJBDULSUWTDH-IXDOHACOSA-N 2 1 282.472 3.188 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@H]4C[NH2+][C@H]4C3)C2)cc1 ZINC001246649268 804476883 /nfs/dbraw/zinc/47/68/83/804476883.db2.gz XDEWTIJCSJDTHG-XDNAFOTISA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@H]4C[NH2+][C@H]4C3)C2)cc1 ZINC001246649268 804476886 /nfs/dbraw/zinc/47/68/86/804476886.db2.gz XDEWTIJCSJDTHG-XDNAFOTISA-N 2 1 270.420 3.007 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246651681 804479065 /nfs/dbraw/zinc/47/90/65/804479065.db2.gz YBJUQYFSISWLEN-MRXNPFEDSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246650619 804479235 /nfs/dbraw/zinc/47/92/35/804479235.db2.gz AVRVURDGPAVTJH-WMZOPIPTSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656164 804480052 /nfs/dbraw/zinc/48/00/52/804480052.db2.gz MPOQDXQVBHMSSM-FQUUOJAGSA-N 2 1 292.389 3.285 20 0 CGADMP C1C[C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)CC[C@@H]2C1 ZINC001246655053 804480260 /nfs/dbraw/zinc/48/02/60/804480260.db2.gz JGWSWQXEAJWSKZ-VYMRPNJYSA-N 2 1 276.468 3.421 20 0 CGADMP c1ccc(C[C@H]2C[C@@H]([N@H+]3C[C@@H]4CCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246658684 804482274 /nfs/dbraw/zinc/48/22/74/804482274.db2.gz DCBILAINZOABLA-RDGPPVDQSA-N 2 1 284.447 3.082 20 0 CGADMP C1C[C@H]2[C@@H](CC[N@H+]2C2CCC3(CCCCC3)CC2)[NH2+]1 ZINC001246661461 804485431 /nfs/dbraw/zinc/48/54/31/804485431.db2.gz FQXAXEIHAOCVEK-CVEARBPZSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246669971 804487775 /nfs/dbraw/zinc/48/77/75/804487775.db2.gz AVZWARCFXINJRD-UXPWSPDFSA-N 2 1 298.474 3.428 20 0 CGADMP c1ccc(C2CCC([N@H+]3C[C@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC001246671744 804489518 /nfs/dbraw/zinc/48/95/18/804489518.db2.gz HQUHOAUHKGWPKZ-GPQLOAJWSA-N 2 1 270.420 3.007 20 0 CGADMP C1CCC([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246676539 804491869 /nfs/dbraw/zinc/49/18/69/804491869.db2.gz CBFJYZZLEYFGBA-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c[nH]1 ZINC001140706610 804492968 /nfs/dbraw/zinc/49/29/68/804492968.db2.gz WBFLKNXHWCUULA-UHFFFAOYSA-N 2 1 299.418 3.096 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C[C@@H]21 ZINC001246679057 804493918 /nfs/dbraw/zinc/49/39/18/804493918.db2.gz RIGUJHWTGIAHOW-HHARLNAUSA-N 2 1 276.468 3.133 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001246690373 804497161 /nfs/dbraw/zinc/49/71/61/804497161.db2.gz KLEPRGPRGAVYRH-BACDZXNISA-N 2 1 282.447 3.225 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246769067 804502617 /nfs/dbraw/zinc/50/26/17/804502617.db2.gz HUQPKJPTLLPZGK-MRXNPFEDSA-N 2 1 290.476 3.136 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246771214 804502628 /nfs/dbraw/zinc/50/26/28/804502628.db2.gz WTEPGSWMOUXQMA-PMPSAXMXSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246771176 804502670 /nfs/dbraw/zinc/50/26/70/804502670.db2.gz VVXZBDRWWKFJKU-BCDXTJNWSA-N 2 1 272.436 3.287 20 0 CGADMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246769058 804502973 /nfs/dbraw/zinc/50/29/73/804502973.db2.gz HSKBKEDKWVFORX-DOTOQJQBSA-N 2 1 290.451 3.294 20 0 CGADMP c1ccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246778444 804505951 /nfs/dbraw/zinc/50/59/51/804505951.db2.gz WHKHFWKNKQHADQ-HTUJPFKRSA-N 2 1 284.447 3.224 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2CCCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784333 804509311 /nfs/dbraw/zinc/50/93/11/804509311.db2.gz FZLYRLPATCJEMA-JJRVBVJISA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784333 804509315 /nfs/dbraw/zinc/50/93/15/804509315.db2.gz FZLYRLPATCJEMA-JJRVBVJISA-N 2 1 276.399 3.493 20 0 CGADMP c1csc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246785657 804511173 /nfs/dbraw/zinc/51/11/73/804511173.db2.gz KUAUMEFVTKXTPR-QNMSZWNNSA-N 2 1 262.422 3.168 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC001246787030 804511797 /nfs/dbraw/zinc/51/17/97/804511797.db2.gz PHQDOJAKBBCDIU-NVXWUHKLSA-N 2 1 288.435 3.060 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246790784 804513327 /nfs/dbraw/zinc/51/33/27/804513327.db2.gz MXOWWROFEQTDJO-BZUAXINKSA-N 2 1 252.446 3.418 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001246791255 804516339 /nfs/dbraw/zinc/51/63/39/804516339.db2.gz OCCOLRBCSJIYFJ-SWLSCSKDSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001246791255 804516342 /nfs/dbraw/zinc/51/63/42/804516342.db2.gz OCCOLRBCSJIYFJ-SWLSCSKDSA-N 2 1 266.816 3.475 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246796478 804518704 /nfs/dbraw/zinc/51/87/04/804518704.db2.gz LMNUZSHCFRTBFE-OAHLLOKOSA-N 2 1 292.854 3.271 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246795944 804519604 /nfs/dbraw/zinc/51/96/04/804519604.db2.gz KJHGHZSSQWWCLG-OAHLLOKOSA-N 2 1 292.854 3.271 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001140803256 804522560 /nfs/dbraw/zinc/52/25/60/804522560.db2.gz MIUPMQDLHWSSHC-MRXNPFEDSA-N 2 1 293.370 3.216 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001140803256 804522562 /nfs/dbraw/zinc/52/25/62/804522562.db2.gz MIUPMQDLHWSSHC-MRXNPFEDSA-N 2 1 293.370 3.216 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001140807262 804524441 /nfs/dbraw/zinc/52/44/41/804524441.db2.gz SRRGJDUQCRGUBY-INIZCTEOSA-N 2 1 292.386 3.165 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001140807262 804524446 /nfs/dbraw/zinc/52/44/46/804524446.db2.gz SRRGJDUQCRGUBY-INIZCTEOSA-N 2 1 292.386 3.165 20 0 CGADMP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246807648 804525168 /nfs/dbraw/zinc/52/51/68/804525168.db2.gz OOIXWJXLQKQDLK-RCCFBDPRSA-N 2 1 272.436 3.224 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246815810 804531812 /nfs/dbraw/zinc/53/18/12/804531812.db2.gz BAQNSXBNBTZYSO-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(c2ccccc2)CC1 ZINC001246815138 804532048 /nfs/dbraw/zinc/53/20/48/804532048.db2.gz WSIIQVOJVNLPDN-FAEJEUNOSA-N 2 1 272.436 3.254 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C1 ZINC001246828195 804539352 /nfs/dbraw/zinc/53/93/52/804539352.db2.gz ZRWRLVWXIZPJCI-GRYCIOLGSA-N 2 1 278.362 3.167 20 0 CGADMP CC1(C)CCC[C@@H]([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C1 ZINC001246828195 804539357 /nfs/dbraw/zinc/53/93/57/804539357.db2.gz ZRWRLVWXIZPJCI-GRYCIOLGSA-N 2 1 278.362 3.167 20 0 CGADMP C1CC2(C1)CC[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246829542 804540688 /nfs/dbraw/zinc/54/06/88/804540688.db2.gz LGDOXCSHLDJTKD-OAHLLOKOSA-N 2 1 262.441 3.317 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CCC[C@H]3CCCC[C@H]31)CC2 ZINC001246832403 804541186 /nfs/dbraw/zinc/54/11/86/804541186.db2.gz GPIPVIFKECOIRL-GDBMZVCRSA-N 2 1 262.441 3.173 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246840660 804547647 /nfs/dbraw/zinc/54/76/47/804547647.db2.gz PGGODZJQKUPNOM-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001246840285 804548109 /nfs/dbraw/zinc/54/81/09/804548109.db2.gz WBDRTEKZBPNJFH-XDNAFOTISA-N 2 1 276.468 3.421 20 0 CGADMP CCCC[C@H]1C[C@H]([N@@H+](C)CC2CCCC2)CC[NH2+]1 ZINC001246841629 804549654 /nfs/dbraw/zinc/54/96/54/804549654.db2.gz NPLXNLUQFLMZJZ-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246842733 804550255 /nfs/dbraw/zinc/55/02/55/804550255.db2.gz DDFAPFDROPIZEG-INIZCTEOSA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246844188 804552281 /nfs/dbraw/zinc/55/22/81/804552281.db2.gz XVARZRKIJPIHQA-DGADGQDISA-N 2 1 252.446 3.116 20 0 CGADMP C1C[C@H]2C[C@@H]([N@H+]3CC[C@H](C4CCCCC4)C3)C[C@@H]1[NH2+]2 ZINC001246845382 804553814 /nfs/dbraw/zinc/55/38/14/804553814.db2.gz FVQGFZNFNSTFSV-MWDXBVQZSA-N 2 1 262.441 3.172 20 0 CGADMP C1C[C@H]2C[C@H]([N@H+]3CC[C@H](C4CCCCC4)C3)C[C@@H]1[NH2+]2 ZINC001246845391 804554035 /nfs/dbraw/zinc/55/40/35/804554035.db2.gz FVQGFZNFNSTFSV-NXOAAHMSSA-N 2 1 262.441 3.172 20 0 CGADMP CC[C@H]1CC([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246845376 804554153 /nfs/dbraw/zinc/55/41/53/804554153.db2.gz LLOSPHXQNUHDQD-FZKCQIBNSA-N 2 1 264.457 3.418 20 0 CGADMP c1ccc(CC2CCC([N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246847160 804556988 /nfs/dbraw/zinc/55/69/88/804556988.db2.gz QDKGFHLUCJPHBL-NUVZVAJJSA-N 2 1 298.474 3.329 20 0 CGADMP c1ccc(C2CCC([N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246849240 804560474 /nfs/dbraw/zinc/56/04/74/804560474.db2.gz ZCVQAWAABWKEHR-YBXZHIRMSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC[NH2+]1 ZINC001246857020 804562956 /nfs/dbraw/zinc/56/29/56/804562956.db2.gz YXMTWCWLRNSTSP-OAGGEKHMSA-N 2 1 282.447 3.367 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001246854692 804562973 /nfs/dbraw/zinc/56/29/73/804562973.db2.gz QQHNXBZYYIWFMC-PBHICJAKSA-N 2 1 262.441 3.303 20 0 CGADMP Clc1cccc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001246856075 804563332 /nfs/dbraw/zinc/56/33/32/804563332.db2.gz YSZOVNJUQMPQIV-KTFSGNIMSA-N 2 1 290.838 3.412 20 0 CGADMP C[C@H]1CC([N@@H+](Cc2ccccc2)C2CC2)C[C@H](C)[NH2+]1 ZINC001246860410 804565932 /nfs/dbraw/zinc/56/59/32/804565932.db2.gz ODYKHUDHUCQGFL-KBPBESRZSA-N 2 1 258.409 3.180 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC001246859943 804565975 /nfs/dbraw/zinc/56/59/75/804565975.db2.gz MVUQIBMMZSDUDA-MSOLQXFVSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1CC([N@@H+](Cc2ccccc2)C2CC2)C[C@@H](C)[NH2+]1 ZINC001246860416 804566311 /nfs/dbraw/zinc/56/63/11/804566311.db2.gz ODYKHUDHUCQGFL-ZIAGYGMSSA-N 2 1 258.409 3.180 20 0 CGADMP CCC[C@H](C)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246863924 804568286 /nfs/dbraw/zinc/56/82/86/804568286.db2.gz STLHROUKSFJWED-HNNXBMFYSA-N 2 1 272.436 3.312 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246865948 804570040 /nfs/dbraw/zinc/57/00/40/804570040.db2.gz DLGBLWPZSLUXSC-GYTBAZASSA-N 2 1 250.430 3.159 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246865948 804570044 /nfs/dbraw/zinc/57/00/44/804570044.db2.gz DLGBLWPZSLUXSC-GYTBAZASSA-N 2 1 250.430 3.159 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC001246870533 804571454 /nfs/dbraw/zinc/57/14/54/804571454.db2.gz LUHQXUOJFNOFCV-MIFYACCESA-N 2 1 272.436 3.309 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246868104 804572046 /nfs/dbraw/zinc/57/20/46/804572046.db2.gz QLVCLKYHPSGGKV-UGUYLWEFSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246868104 804572053 /nfs/dbraw/zinc/57/20/53/804572053.db2.gz QLVCLKYHPSGGKV-UGUYLWEFSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870605 804572168 /nfs/dbraw/zinc/57/21/68/804572168.db2.gz YSZHKJCBGWPHOY-FZKCQIBNSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870605 804572172 /nfs/dbraw/zinc/57/21/72/804572172.db2.gz YSZHKJCBGWPHOY-FZKCQIBNSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246873997 804573347 /nfs/dbraw/zinc/57/33/47/804573347.db2.gz UUKMKQHCEGHBTC-CRAIPNDOSA-N 2 1 284.447 3.356 20 0 CGADMP C[C@@H]1CC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@@H](C)C1 ZINC001246876793 804574809 /nfs/dbraw/zinc/57/48/09/804574809.db2.gz IECRDYFIVBOUIM-YTXYEVPYSA-N 2 1 298.474 3.284 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001246877671 804576439 /nfs/dbraw/zinc/57/64/39/804576439.db2.gz XSZUMFXDJOISGU-NSHDSACASA-N 2 1 286.341 3.062 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001246877671 804576443 /nfs/dbraw/zinc/57/64/43/804576443.db2.gz XSZUMFXDJOISGU-NSHDSACASA-N 2 1 286.341 3.062 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246877810 804576542 /nfs/dbraw/zinc/57/65/42/804576542.db2.gz GRCNRNHZWGITCA-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001246892509 804583115 /nfs/dbraw/zinc/58/31/15/804583115.db2.gz DOEVAZPFRASXHX-INIZCTEOSA-N 2 1 290.426 3.147 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3-c3cccs3)C[C@@H]2C1 ZINC001141096955 804588770 /nfs/dbraw/zinc/58/87/70/804588770.db2.gz WLQOSEDLESTAMS-IYBDPMFKSA-N 2 1 298.455 3.409 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3-c3cccs3)C[C@@H]2C1 ZINC001141096955 804588775 /nfs/dbraw/zinc/58/87/75/804588775.db2.gz WLQOSEDLESTAMS-IYBDPMFKSA-N 2 1 298.455 3.409 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2ccc(C)cc2)CC[NH2+]1 ZINC001246906268 804591863 /nfs/dbraw/zinc/59/18/63/804591863.db2.gz DLWXMBPPLXTLJG-IAGOWNOFSA-N 2 1 260.425 3.348 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CCc1ccc(C)cc1 ZINC001246935288 804607405 /nfs/dbraw/zinc/60/74/05/804607405.db2.gz GORNAETXXVZEBU-FUHWJXTLSA-N 2 1 274.452 3.248 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)[C@@H]1CCCSC1 ZINC001246937381 804608927 /nfs/dbraw/zinc/60/89/27/804608927.db2.gz LZYQEIHZVBGREL-GDBMZVCRSA-N 2 1 282.497 3.126 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945910 804614054 /nfs/dbraw/zinc/61/40/54/804614054.db2.gz MKZSXQGZQPNQTB-FGTMMUONSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCOC[C@@H]2C2CCCCC2)CC[NH2+]1 ZINC001246945910 804614057 /nfs/dbraw/zinc/61/40/57/804614057.db2.gz MKZSXQGZQPNQTB-FGTMMUONSA-N 2 1 294.483 3.044 20 0 CGADMP COc1ccc(C2=CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246946174 804614422 /nfs/dbraw/zinc/61/44/22/804614422.db2.gz GPXCNMJGMWFRSD-JWTNVVGKSA-N 2 1 298.430 3.067 20 0 CGADMP CCOCC[N@@H+]([C@@H](CC)C[C@@H](C)CC)C1CC[NH2+]CC1 ZINC001246950019 804615401 /nfs/dbraw/zinc/61/54/01/804615401.db2.gz OIUHFVYZBJFKSB-HOTGVXAUSA-N 2 1 284.488 3.292 20 0 CGADMP CCCCC[C@@H](C)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246952014 804616094 /nfs/dbraw/zinc/61/60/94/804616094.db2.gz XJNSFYZMICZHGY-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC001246968889 804621139 /nfs/dbraw/zinc/62/11/39/804621139.db2.gz RGWMCDXYSOLQPH-DZFIZOCASA-N 2 1 284.447 3.266 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC001246966629 804621153 /nfs/dbraw/zinc/62/11/53/804621153.db2.gz LGJGWCIMBWPIKZ-RDTXWAMCSA-N 2 1 272.436 3.408 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970648 804622072 /nfs/dbraw/zinc/62/20/72/804622072.db2.gz ANIWVZCAQFPRAN-APWZRJJASA-N 2 1 298.474 3.316 20 0 CGADMP C[C@@H]1CC([N@@H+](C2CCC2)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246973597 804623747 /nfs/dbraw/zinc/62/37/47/804623747.db2.gz GTQUYBINWJJVNU-KBPBESRZSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246990004 804630804 /nfs/dbraw/zinc/63/08/04/804630804.db2.gz SRFAWAMOCVJPNS-ZMSDIMECSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246990004 804630806 /nfs/dbraw/zinc/63/08/06/804630806.db2.gz SRFAWAMOCVJPNS-ZMSDIMECSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC001246998077 804633038 /nfs/dbraw/zinc/63/30/38/804633038.db2.gz ABOAZQURDPUBPJ-CPUCHLNUSA-N 2 1 290.426 3.362 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC001247002173 804635593 /nfs/dbraw/zinc/63/55/93/804635593.db2.gz SBIOWFUVXSPPIM-RYQLBKOJSA-N 2 1 272.436 3.382 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3nc(C)ccc23)CC1 ZINC001248577920 804957720 /nfs/dbraw/zinc/95/77/20/804957720.db2.gz VCFBGPTVQAKAPS-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3nc(C)ccc23)CC1 ZINC001248577920 804957725 /nfs/dbraw/zinc/95/77/25/804957725.db2.gz VCFBGPTVQAKAPS-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(OC)c1 ZINC001144489423 804994371 /nfs/dbraw/zinc/99/43/71/804994371.db2.gz HMJALFKMKBPZKM-UHFFFAOYSA-N 2 1 284.831 3.122 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(OC)c1 ZINC001144489423 804994378 /nfs/dbraw/zinc/99/43/78/804994378.db2.gz HMJALFKMKBPZKM-UHFFFAOYSA-N 2 1 284.831 3.122 20 0 CGADMP C[N@H+](Cc1ccc2scnc2c1)CC1CC[NH+](C)CC1 ZINC001144736959 805048722 /nfs/dbraw/zinc/04/87/22/805048722.db2.gz IBYUBBREPROKDP-UHFFFAOYSA-N 2 1 289.448 3.070 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(C2CC2)cc[nH+]1 ZINC001155025360 805526319 /nfs/dbraw/zinc/52/63/19/805526319.db2.gz NNFXNFRILMIXLT-SWLSCSKDSA-N 2 1 259.397 3.007 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@]1(F)CCCC[NH2+]C1 ZINC001155116966 805541306 /nfs/dbraw/zinc/54/13/06/805541306.db2.gz NJUHPOZBSMMRQQ-KRWDZBQOSA-N 2 1 287.382 3.437 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256862858 806993826 /nfs/dbraw/zinc/99/38/26/806993826.db2.gz RFQHJRZQWWXQHK-QGZVFWFLSA-N 2 1 273.424 3.171 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001257214939 807061879 /nfs/dbraw/zinc/06/18/79/807061879.db2.gz OMDOBQDIXJJUNU-OAHLLOKOSA-N 2 1 256.409 3.073 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001257214939 807061885 /nfs/dbraw/zinc/06/18/85/807061885.db2.gz OMDOBQDIXJJUNU-OAHLLOKOSA-N 2 1 256.409 3.073 20 0 CGADMP CC(C)[NH+]1CCC([NH+]2CCC3(CCC(=O)CC3)CC2)CC1 ZINC001257223796 807065181 /nfs/dbraw/zinc/06/51/81/807065181.db2.gz CGAIMXQPFMUORX-UHFFFAOYSA-N 2 1 292.467 3.085 20 0 CGADMP CCC[C@@H](CC)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001257265715 807080443 /nfs/dbraw/zinc/08/04/43/807080443.db2.gz ICVSWSVSOSJXHX-OAHLLOKOSA-N 2 1 282.472 3.140 20 0 CGADMP CCC(CC)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257291422 807088864 /nfs/dbraw/zinc/08/88/64/807088864.db2.gz PTKRFXJTHQGWED-JCNLHEQBSA-N 2 1 275.440 3.342 20 0 CGADMP Cc1ccc(C[NH+]2CCCCC2)cc1N[C@H]1CC[N@H+](C)C1 ZINC001167281392 807175398 /nfs/dbraw/zinc/17/53/98/807175398.db2.gz YRMMTQNXDOPMTJ-KRWDZBQOSA-N 2 1 287.451 3.097 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)CC(C)(C)C ZINC001167457956 807193727 /nfs/dbraw/zinc/19/37/27/807193727.db2.gz NQFATXHINJAZNH-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP Cc1cc[nH+]c(C)c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167624549 807218103 /nfs/dbraw/zinc/21/81/03/807218103.db2.gz AOSBXKWEQREBTD-UHFFFAOYSA-N 2 1 261.413 3.183 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001257877403 807233793 /nfs/dbraw/zinc/23/37/93/807233793.db2.gz GFHHWESOFZLFRT-FCCDEINASA-N 2 1 296.499 3.431 20 0 CGADMP CCc1cccc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC001167751982 807240226 /nfs/dbraw/zinc/24/02/26/807240226.db2.gz AHXCHCYDAOPUDC-CQSZACIVSA-N 2 1 261.413 3.320 20 0 CGADMP CCc1cccc(NCCC[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC001167751982 807240231 /nfs/dbraw/zinc/24/02/31/807240231.db2.gz AHXCHCYDAOPUDC-CQSZACIVSA-N 2 1 261.413 3.320 20 0 CGADMP Cc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001167752687 807242701 /nfs/dbraw/zinc/24/27/01/807242701.db2.gz XANIXWDYGRKWSV-AWEZNQCLSA-N 2 1 261.413 3.375 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001167827499 807255840 /nfs/dbraw/zinc/25/58/40/807255840.db2.gz XAONWYKEDRZYKW-QZTJIDSGSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001167827499 807255845 /nfs/dbraw/zinc/25/58/45/807255845.db2.gz XAONWYKEDRZYKW-QZTJIDSGSA-N 2 1 295.515 3.057 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC(=O)c1ccccc1 ZINC001167842437 807260870 /nfs/dbraw/zinc/26/08/70/807260870.db2.gz XIDVEVQMYWRZMB-MRXNPFEDSA-N 2 1 290.451 3.312 20 0 CGADMP CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1CCOCC1 ZINC001167842779 807261265 /nfs/dbraw/zinc/26/12/65/807261265.db2.gz YPRTVQNYDYIGLG-INIZCTEOSA-N 2 1 284.488 3.388 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167940372 807277742 /nfs/dbraw/zinc/27/77/42/807277742.db2.gz XJJHSQWXKWITCP-KJFMYELZSA-N 2 1 296.458 3.157 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167940372 807277747 /nfs/dbraw/zinc/27/77/47/807277747.db2.gz XJJHSQWXKWITCP-KJFMYELZSA-N 2 1 296.458 3.157 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167940372 807277754 /nfs/dbraw/zinc/27/77/54/807277754.db2.gz XJJHSQWXKWITCP-KJFMYELZSA-N 2 1 296.458 3.157 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167940372 807277759 /nfs/dbraw/zinc/27/77/59/807277759.db2.gz XJJHSQWXKWITCP-KJFMYELZSA-N 2 1 296.458 3.157 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258062567 807283313 /nfs/dbraw/zinc/28/33/13/807283313.db2.gz KLYPQMRGKBHKDW-KGLIPLIRSA-N 2 1 251.418 3.408 20 0 CGADMP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167960093 807286427 /nfs/dbraw/zinc/28/64/27/807286427.db2.gz WCBXCXRZEMGCQP-YQQQUEKLSA-N 2 1 284.447 3.490 20 0 CGADMP CCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959016 807286957 /nfs/dbraw/zinc/28/69/57/807286957.db2.gz MWUFDWQNPKZDCC-GOOCMWNKSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H](C)C1 ZINC001258155805 807324264 /nfs/dbraw/zinc/32/42/64/807324264.db2.gz IOKXXBNIQNZNNJ-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)C1 ZINC001258155805 807324272 /nfs/dbraw/zinc/32/42/72/807324272.db2.gz IOKXXBNIQNZNNJ-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C[C@@H](C)C1 ZINC001258171261 807338032 /nfs/dbraw/zinc/33/80/32/807338032.db2.gz PQORRHTVCGKTDE-HALDLXJZSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258181221 807345121 /nfs/dbraw/zinc/34/51/21/807345121.db2.gz KOYLHZZVNYOUHX-LSDHHAIUSA-N 2 1 276.424 3.207 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258181221 807345129 /nfs/dbraw/zinc/34/51/29/807345129.db2.gz KOYLHZZVNYOUHX-LSDHHAIUSA-N 2 1 276.424 3.207 20 0 CGADMP CC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001168204381 807347732 /nfs/dbraw/zinc/34/77/32/807347732.db2.gz PADQPSRNLTUBHE-PREGVCBESA-N 2 1 264.457 3.419 20 0 CGADMP CC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001168204381 807347742 /nfs/dbraw/zinc/34/77/42/807347742.db2.gz PADQPSRNLTUBHE-PREGVCBESA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](Cc1ccco1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001258186160 807349166 /nfs/dbraw/zinc/34/91/66/807349166.db2.gz WZRRZEKKTDACIQ-HNNXBMFYSA-N 2 1 276.424 3.161 20 0 CGADMP CC(C)[N@@H+](C1CCC(C)CC1)C1CCN(C)CC1 ZINC001168225179 807356788 /nfs/dbraw/zinc/35/67/88/807356788.db2.gz UNGDTYLNTRZZJK-UHFFFAOYSA-N 2 1 252.446 3.370 20 0 CGADMP CSCC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258210555 807365812 /nfs/dbraw/zinc/36/58/12/807365812.db2.gz AAKKOLUGPSWBLV-KKUMJFAQSA-N 2 1 272.502 3.356 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315490 807379651 /nfs/dbraw/zinc/37/96/51/807379651.db2.gz WMTKRRGXCRCEKD-ODIFPOPNSA-N 2 1 272.436 3.479 20 0 CGADMP CN1CCC[C@@H]2C[N@H+](C3CCCCCCC3)C[C@@H]21 ZINC001258242990 807385079 /nfs/dbraw/zinc/38/50/79/807385079.db2.gz CWEUFYXSRFXERN-ZBFHGGJFSA-N 2 1 250.430 3.125 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001258389397 807437619 /nfs/dbraw/zinc/43/76/19/807437619.db2.gz MVXWHJACEWKFNJ-DOTOQJQBSA-N 2 1 290.451 3.090 20 0 CGADMP CC1(C)CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001258598442 807498555 /nfs/dbraw/zinc/49/85/55/807498555.db2.gz SLCDDYWSDJNPSE-ZOBUZTSGSA-N 2 1 294.483 3.316 20 0 CGADMP CCC1CCC(C2CCC([NH2+][C@@H]3C[C@H]3[NH3+])CC2)CC1 ZINC001258631277 807518147 /nfs/dbraw/zinc/51/81/47/807518147.db2.gz GAJHJGZRAKYHQU-YOENJENRSA-N 2 1 264.457 3.451 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](C)CCC[NH+](C)C ZINC001258657138 807526943 /nfs/dbraw/zinc/52/69/43/807526943.db2.gz NNVXDWZDIMXDTQ-KRWDZBQOSA-N 2 1 262.441 3.281 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001258686749 807544075 /nfs/dbraw/zinc/54/40/75/807544075.db2.gz JJCQDYDHRLPMNA-RBZJEDDUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081619 807569329 /nfs/dbraw/zinc/56/93/29/807569329.db2.gz UKWITCBNQOYLFU-LEUOFYLZSA-N 2 1 272.436 3.223 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC001169079804 807570085 /nfs/dbraw/zinc/57/00/85/807570085.db2.gz LQSBGQYWOBKYQB-QDMKHBRRSA-N 2 1 264.800 3.055 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC001169079804 807570086 /nfs/dbraw/zinc/57/00/86/807570086.db2.gz LQSBGQYWOBKYQB-QDMKHBRRSA-N 2 1 264.800 3.055 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169092890 807570620 /nfs/dbraw/zinc/57/06/20/807570620.db2.gz DOAMXANXNHDNAS-BJWYYQGGSA-N 2 1 258.409 3.018 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001169092668 807571669 /nfs/dbraw/zinc/57/16/69/807571669.db2.gz CEQJZKFRHZADRW-LPWJVIDDSA-N 2 1 250.411 3.024 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC001169093793 807573201 /nfs/dbraw/zinc/57/32/01/807573201.db2.gz JDKYYIPVUWSGKU-QDMKHBRRSA-N 2 1 278.465 3.204 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169093885 807573343 /nfs/dbraw/zinc/57/33/43/807573343.db2.gz JRHZGBCRZBPFHO-LLLHUVSDSA-N 2 1 258.409 3.271 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCCCCCC1)C2 ZINC001169101120 807574947 /nfs/dbraw/zinc/57/49/47/807574947.db2.gz OQEHVJHLKPCESA-PHZGNYQRSA-N 2 1 250.430 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)CC(C)(C)C)C2 ZINC001169097858 807576136 /nfs/dbraw/zinc/57/61/36/807576136.db2.gz CRUOSBJDLHSESK-ZSOGYDGISA-N 2 1 252.446 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1coc3ccccc13)C2 ZINC001169101915 807579294 /nfs/dbraw/zinc/57/92/94/807579294.db2.gz WHACVJGKNYNRSQ-PHZGNYQRSA-N 2 1 284.403 3.190 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC13CCC(F)(F)CC3)C2 ZINC001169115016 807580323 /nfs/dbraw/zinc/58/03/23/807580323.db2.gz GUZCAXSAPJXYAL-CRWXNKLISA-N 2 1 284.394 3.169 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ncco3)cc1)C2 ZINC001169118224 807582939 /nfs/dbraw/zinc/58/29/39/807582939.db2.gz FPDNTIOJRHGVKF-BJWYYQGGSA-N 2 1 297.402 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ncco3)cc1)C2 ZINC001169118224 807582940 /nfs/dbraw/zinc/58/29/40/807582940.db2.gz FPDNTIOJRHGVKF-BJWYYQGGSA-N 2 1 297.402 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001169124516 807585884 /nfs/dbraw/zinc/58/58/84/807585884.db2.gz DJAPYZDCNUWKSI-ZJPYXAASSA-N 2 1 270.420 3.101 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001169124516 807585886 /nfs/dbraw/zinc/58/58/86/807585886.db2.gz DJAPYZDCNUWKSI-ZJPYXAASSA-N 2 1 270.420 3.101 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC001169124516 807585893 /nfs/dbraw/zinc/58/58/93/807585893.db2.gz DJAPYZDCNUWKSI-ZJPYXAASSA-N 2 1 270.420 3.101 20 0 CGADMP CC1(C)C[C@H](Nc2cc(Cl)cc(N)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169142264 807588820 /nfs/dbraw/zinc/58/88/20/807588820.db2.gz MDXLNQBRTJCSRW-XHDPSFHLSA-N 2 1 296.846 3.273 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3cccc(Cl)c3)C[C@H]2C1 ZINC001258753633 807594250 /nfs/dbraw/zinc/59/42/50/807594250.db2.gz OJNHKXSCAUDTLG-FVQBIDKESA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001258753631 807594423 /nfs/dbraw/zinc/59/44/23/807594423.db2.gz OJNHKXSCAUDTLG-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001258753631 807594426 /nfs/dbraw/zinc/59/44/26/807594426.db2.gz OJNHKXSCAUDTLG-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001258753631 807594430 /nfs/dbraw/zinc/59/44/30/807594430.db2.gz OJNHKXSCAUDTLG-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001258753631 807594432 /nfs/dbraw/zinc/59/44/32/807594432.db2.gz OJNHKXSCAUDTLG-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153939 807596581 /nfs/dbraw/zinc/59/65/81/807596581.db2.gz MQXUJQQYUGSTND-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153939 807596584 /nfs/dbraw/zinc/59/65/84/807596584.db2.gz MQXUJQQYUGSTND-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153939 807596588 /nfs/dbraw/zinc/59/65/88/807596588.db2.gz MQXUJQQYUGSTND-BCDXTJNWSA-N 2 1 272.436 3.442 20 0 CGADMP CCCC[C@H](CCC)[N@@H+](CCOC)C1CCN(C)CC1 ZINC001258763353 807600499 /nfs/dbraw/zinc/60/04/99/807600499.db2.gz OIFSHDBCKGTVBH-INIZCTEOSA-N 2 1 284.488 3.388 20 0 CGADMP CCC(CC)[N@H+](C1CCN(CC)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169240106 807612845 /nfs/dbraw/zinc/61/28/45/807612845.db2.gz DTYSROYHJVKNNC-JCNLHEQBSA-N 2 1 295.515 3.231 20 0 CGADMP CCC(CC)[N@@H+](C1CC[NH+](CC)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169240106 807612848 /nfs/dbraw/zinc/61/28/48/807612848.db2.gz DTYSROYHJVKNNC-JCNLHEQBSA-N 3 1 295.515 3.231 20 0 CGADMP CCC(CC)[N@H+](C1CC[NH+](CC)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169240106 807612852 /nfs/dbraw/zinc/61/28/52/807612852.db2.gz DTYSROYHJVKNNC-JCNLHEQBSA-N 3 1 295.515 3.231 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001258817316 807634449 /nfs/dbraw/zinc/63/44/49/807634449.db2.gz RFLDNGJMRYFKIZ-LVQVYYBASA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001258848410 807657727 /nfs/dbraw/zinc/65/77/27/807657727.db2.gz NSOSVTNDYWKJNX-LJQANCHMSA-N 2 1 298.474 3.425 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001258848410 807657730 /nfs/dbraw/zinc/65/77/30/807657730.db2.gz NSOSVTNDYWKJNX-LJQANCHMSA-N 2 1 298.474 3.425 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001258908093 807672270 /nfs/dbraw/zinc/67/22/70/807672270.db2.gz RCGRXVMSWMTJPD-KBPBESRZSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001258909405 807672956 /nfs/dbraw/zinc/67/29/56/807672956.db2.gz DOPUULWSLVLFOS-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492823 807751131 /nfs/dbraw/zinc/75/11/31/807751131.db2.gz VQXWJVVDEHGSIZ-ZDUSSCGKSA-N 2 1 294.389 3.491 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170117359 807764101 /nfs/dbraw/zinc/76/41/01/807764101.db2.gz KPTXMUFIHJOFIA-SDADXPQNSA-N 2 1 250.430 3.299 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170118474 807765457 /nfs/dbraw/zinc/76/54/57/807765457.db2.gz SNYKQPOBOGBMST-QCEMKRCNSA-N 2 1 250.430 3.157 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CC[C@H](C)C2)CC1 ZINC001170137329 807772537 /nfs/dbraw/zinc/77/25/37/807772537.db2.gz OALKEVLCFBMZBC-ZFWWWQNUSA-N 2 1 273.424 3.117 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCO1 ZINC001170222668 807796611 /nfs/dbraw/zinc/79/66/11/807796611.db2.gz OPRRZZDFTPMNAL-KZNAEPCWSA-N 2 1 294.483 3.284 20 0 CGADMP c1ccc2c(c1)C[N@@H+](CCC[NH2+]C1CC1)CC21CCC1 ZINC001262195385 807835752 /nfs/dbraw/zinc/83/57/52/807835752.db2.gz YQZWTOFJDBCOIA-UHFFFAOYSA-N 2 1 270.420 3.066 20 0 CGADMP c1ccc2c(c1)C[N@H+](CCC[NH2+]C1CC1)CC21CCC1 ZINC001262195385 807835760 /nfs/dbraw/zinc/83/57/60/807835760.db2.gz YQZWTOFJDBCOIA-UHFFFAOYSA-N 2 1 270.420 3.066 20 0 CGADMP CC(C)CCC[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001262379270 807863035 /nfs/dbraw/zinc/86/30/35/807863035.db2.gz WIUOGWKHXOYLGD-JYJNAYRXSA-N 2 1 252.446 3.085 20 0 CGADMP CSC(C)(C)CC[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001262379274 807863640 /nfs/dbraw/zinc/86/36/40/807863640.db2.gz WJFBCSOXVMBICS-KKUMJFAQSA-N 2 1 284.513 3.180 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171381868 808041320 /nfs/dbraw/zinc/04/13/20/808041320.db2.gz HLSHHJFAQHBWOK-HNNXBMFYSA-N 2 1 296.405 3.096 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171434062 808055241 /nfs/dbraw/zinc/05/52/41/808055241.db2.gz QKJZJRLDNKTAES-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171434062 808055248 /nfs/dbraw/zinc/05/52/48/808055248.db2.gz QKJZJRLDNKTAES-INIZCTEOSA-N 2 1 290.426 3.099 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@H]3CC[C@@H]2C3)CC1(C)C ZINC001171639620 808111801 /nfs/dbraw/zinc/11/18/01/808111801.db2.gz QRPRFHOKSFXDOT-QWHCGFSZSA-N 2 1 250.430 3.122 20 0 CGADMP CC1(C)C[C@H]([NH+]2C[C@@H]3C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171978646 808163250 /nfs/dbraw/zinc/16/32/50/808163250.db2.gz AQZIEMXEJXWITE-FGTMMUONSA-N 2 1 284.447 3.381 20 0 CGADMP CC1(C)C[C@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171978646 808163257 /nfs/dbraw/zinc/16/32/57/808163257.db2.gz AQZIEMXEJXWITE-FGTMMUONSA-N 2 1 284.447 3.381 20 0 CGADMP CC1(C)C[C@H]([N@H+]2C[C@@H]3C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171978646 808163260 /nfs/dbraw/zinc/16/32/60/808163260.db2.gz AQZIEMXEJXWITE-FGTMMUONSA-N 2 1 284.447 3.381 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCc1ccccc1F)C2 ZINC001172104299 808174220 /nfs/dbraw/zinc/17/42/20/808174220.db2.gz CBSCZEOBSRLBSD-BJWYYQGGSA-N 2 1 290.426 3.363 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCc1cccs1)C2 ZINC001172103997 808174769 /nfs/dbraw/zinc/17/47/69/808174769.db2.gz YPRAIMPPCOPRMZ-QKDCVEJESA-N 2 1 278.465 3.286 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC001172105958 808176229 /nfs/dbraw/zinc/17/62/29/808176229.db2.gz LPAMCDAWWVNHDL-ZSOGYDGISA-N 2 1 280.362 3.070 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC001172105958 808176232 /nfs/dbraw/zinc/17/62/32/808176232.db2.gz LPAMCDAWWVNHDL-ZSOGYDGISA-N 2 1 280.362 3.070 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107134 808176320 /nfs/dbraw/zinc/17/63/20/808176320.db2.gz SOZMVTFZBOTXFA-LVQVYYBASA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107134 808176325 /nfs/dbraw/zinc/17/63/25/808176325.db2.gz SOZMVTFZBOTXFA-LVQVYYBASA-N 2 1 252.446 3.416 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)C2 ZINC001172109232 808177694 /nfs/dbraw/zinc/17/76/94/808177694.db2.gz IPZAGGMWWWKLGI-DFGXFYAUSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC1(C)C)C2 ZINC001172112460 808178144 /nfs/dbraw/zinc/17/81/44/808178144.db2.gz XDEMUNHKICQMPV-XGUBFFRZSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC1(C)C)C2 ZINC001172112460 808178145 /nfs/dbraw/zinc/17/81/45/808178145.db2.gz XDEMUNHKICQMPV-XGUBFFRZSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)C2 ZINC001172110788 808178325 /nfs/dbraw/zinc/17/83/25/808178325.db2.gz PECRUPUIWWTKII-XMTFNYHQSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)C2 ZINC001172110788 808178328 /nfs/dbraw/zinc/17/83/28/808178328.db2.gz PECRUPUIWWTKII-XMTFNYHQSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncc3ccccc31)C2 ZINC001172108964 808179018 /nfs/dbraw/zinc/17/90/18/808179018.db2.gz FYARCHLFKILVII-NNZMDNLPSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCc3ccccc3C1)C2 ZINC001172111307 808179176 /nfs/dbraw/zinc/17/91/76/808179176.db2.gz PVBFJIIQYIMSKN-MVJPYGJCSA-N 2 1 298.474 3.396 20 0 CGADMP C[N@H+](CC1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128254 808185233 /nfs/dbraw/zinc/18/52/33/808185233.db2.gz QICOMFDQBPTZEU-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128254 808185236 /nfs/dbraw/zinc/18/52/36/808185236.db2.gz QICOMFDQBPTZEU-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128254 808185239 /nfs/dbraw/zinc/18/52/39/808185239.db2.gz QICOMFDQBPTZEU-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](CC1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128254 808185240 /nfs/dbraw/zinc/18/52/40/808185240.db2.gz QICOMFDQBPTZEU-MUJYYYPQSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172183391 808190852 /nfs/dbraw/zinc/19/08/52/808190852.db2.gz DKVQQAAVZQZULO-GDBMZVCRSA-N 2 1 290.476 3.025 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172223442 808201994 /nfs/dbraw/zinc/20/19/94/808201994.db2.gz VSULICLGHNAPGJ-MHDJUUOISA-N 2 1 292.467 3.211 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCO[C@H](C)CC)C1 ZINC001172341323 808241410 /nfs/dbraw/zinc/24/14/10/808241410.db2.gz YVLUFHYEYKFODM-XHSDSOJGSA-N 2 1 284.488 3.433 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)CCO[C@H](C)CC)C1 ZINC001172341323 808241413 /nfs/dbraw/zinc/24/14/13/808241413.db2.gz YVLUFHYEYKFODM-XHSDSOJGSA-N 2 1 284.488 3.433 20 0 CGADMP CC(C)OCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172434611 808311670 /nfs/dbraw/zinc/31/16/70/808311670.db2.gz QMEYXKJDPZJUNQ-IXDOHACOSA-N 2 1 284.488 3.148 20 0 CGADMP CO[C@H]1CCC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929933 808486243 /nfs/dbraw/zinc/48/62/43/808486243.db2.gz PFEYIHVSARXOAU-DKIMLUQUSA-N 2 1 294.483 3.459 20 0 CGADMP CCCOC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001173089396 808504800 /nfs/dbraw/zinc/50/48/00/808504800.db2.gz LHLSSQQWUVPVRA-UHQQODTQSA-N 2 1 294.483 3.329 20 0 CGADMP CCCOC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001173089396 808504805 /nfs/dbraw/zinc/50/48/05/808504805.db2.gz LHLSSQQWUVPVRA-UHQQODTQSA-N 2 1 294.483 3.329 20 0 CGADMP CC[NH+](CC)C1CCC([NH+]2CC(F)(C3CC3)C2)CC1 ZINC001173108540 808512408 /nfs/dbraw/zinc/51/24/08/808512408.db2.gz MMNHSCZJPNCZTD-UHFFFAOYSA-N 2 1 268.420 3.073 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC001173113256 808513469 /nfs/dbraw/zinc/51/34/69/808513469.db2.gz LWKOAZHJCXPJBC-ABHNRTSZSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3occc3C2)CC1 ZINC001173113557 808514008 /nfs/dbraw/zinc/51/40/08/808514008.db2.gz UTIBUMMCOQDEHD-UHFFFAOYSA-N 2 1 276.424 3.291 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001173236401 808546494 /nfs/dbraw/zinc/54/64/94/808546494.db2.gz WDGOVSYPXGCQPW-MAUKXSAKSA-N 2 1 274.452 3.254 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001173304476 808601592 /nfs/dbraw/zinc/60/15/92/808601592.db2.gz OOLWZCSCHNRZFP-CQSZACIVSA-N 2 1 293.480 3.070 20 0 CGADMP CC[N@H+]1CC[C@@H](n2cc(C[NH3+])c3cc(Cl)ccc32)C1 ZINC001173351350 808626829 /nfs/dbraw/zinc/62/68/29/808626829.db2.gz XDGRVJCFIUHEAC-CYBMUJFWSA-N 2 1 277.799 3.020 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001275045624 808899934 /nfs/dbraw/zinc/89/99/34/808899934.db2.gz QMURGUIBAOJIQY-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001275045624 808899941 /nfs/dbraw/zinc/89/99/41/808899941.db2.gz QMURGUIBAOJIQY-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275045624 808899949 /nfs/dbraw/zinc/89/99/49/808899949.db2.gz QMURGUIBAOJIQY-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275045624 808899952 /nfs/dbraw/zinc/89/99/52/808899952.db2.gz QMURGUIBAOJIQY-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275121540 808913058 /nfs/dbraw/zinc/91/30/58/808913058.db2.gz ZAZMCPIXANJILX-GOSISDBHSA-N 2 1 289.467 3.493 20 0 CGADMP CCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275121540 808913063 /nfs/dbraw/zinc/91/30/63/808913063.db2.gz ZAZMCPIXANJILX-GOSISDBHSA-N 2 1 289.467 3.493 20 0 CGADMP CCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275121540 808913070 /nfs/dbraw/zinc/91/30/70/808913070.db2.gz ZAZMCPIXANJILX-GOSISDBHSA-N 2 1 289.467 3.493 20 0 CGADMP CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275121540 808913072 /nfs/dbraw/zinc/91/30/72/808913072.db2.gz ZAZMCPIXANJILX-GOSISDBHSA-N 2 1 289.467 3.493 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccccc3Cl)(C1)CCC2 ZINC001275249854 808924161 /nfs/dbraw/zinc/92/41/61/808924161.db2.gz WKRHIYQZLBFGEX-JKSUJKDBSA-N 2 1 278.827 3.494 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3ccncc31)C2 ZINC001275313967 808928755 /nfs/dbraw/zinc/92/87/55/808928755.db2.gz JDSBIWPEOUVOEP-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3ccncc31)C2 ZINC001275313967 808928771 /nfs/dbraw/zinc/92/87/71/808928771.db2.gz JDSBIWPEOUVOEP-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3ccncc31)C2 ZINC001275313967 808928778 /nfs/dbraw/zinc/92/87/78/808928778.db2.gz JDSBIWPEOUVOEP-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc(F)ccc2n1 ZINC001275472106 808939129 /nfs/dbraw/zinc/93/91/29/808939129.db2.gz QRJDDXFTHMMJAF-ALOPSCKCSA-N 2 1 299.393 3.089 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(F)ccc2n1 ZINC001275472106 808939135 /nfs/dbraw/zinc/93/91/35/808939135.db2.gz QRJDDXFTHMMJAF-ALOPSCKCSA-N 2 1 299.393 3.089 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc(C)c1F ZINC001275829903 808969736 /nfs/dbraw/zinc/96/97/36/808969736.db2.gz GOOSZAIIGIGLHK-UHFFFAOYSA-N 2 1 290.426 3.360 20 0 CGADMP CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)s1 ZINC001276042933 808986049 /nfs/dbraw/zinc/98/60/49/808986049.db2.gz MCSYBPOIMCJVQN-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)s1 ZINC001276042933 808986051 /nfs/dbraw/zinc/98/60/51/808986051.db2.gz MCSYBPOIMCJVQN-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)s1 ZINC001276042933 808986052 /nfs/dbraw/zinc/98/60/52/808986052.db2.gz MCSYBPOIMCJVQN-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc3ccccc13)C2 ZINC001276124760 808989637 /nfs/dbraw/zinc/98/96/37/808989637.db2.gz IKPJUPGWWBSZGE-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc3ccccc13)C2 ZINC001276124760 808989643 /nfs/dbraw/zinc/98/96/43/808989643.db2.gz IKPJUPGWWBSZGE-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1coc3ccccc13)C2 ZINC001276124760 808989649 /nfs/dbraw/zinc/98/96/49/808989649.db2.gz IKPJUPGWWBSZGE-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1coc3ccccc13)C2 ZINC001276124760 808989651 /nfs/dbraw/zinc/98/96/51/808989651.db2.gz IKPJUPGWWBSZGE-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)ccc3F)(C1)CCC2 ZINC001276244652 808995478 /nfs/dbraw/zinc/99/54/78/808995478.db2.gz ZXCSASHAWPWFSZ-DLBZAZTESA-N 2 1 276.399 3.289 20 0 CGADMP Cc1cccc(C)c1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276362512 809003829 /nfs/dbraw/zinc/00/38/29/809003829.db2.gz DUPAEGGWTSORJH-CALCHBBNSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276362512 809003834 /nfs/dbraw/zinc/00/38/34/809003834.db2.gz DUPAEGGWTSORJH-CALCHBBNSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276362512 809003838 /nfs/dbraw/zinc/00/38/38/809003838.db2.gz DUPAEGGWTSORJH-CALCHBBNSA-N 2 1 272.436 3.077 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)CC1 ZINC001276472442 809012577 /nfs/dbraw/zinc/01/25/77/809012577.db2.gz MTFZNCHTXKMGBU-XLAORIBOSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)CC1 ZINC001276472442 809012583 /nfs/dbraw/zinc/01/25/83/809012583.db2.gz MTFZNCHTXKMGBU-XLAORIBOSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)CC1 ZINC001276472442 809012591 /nfs/dbraw/zinc/01/25/91/809012591.db2.gz MTFZNCHTXKMGBU-XLAORIBOSA-N 2 1 276.468 3.252 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)sc1C ZINC001276527104 809013670 /nfs/dbraw/zinc/01/36/70/809013670.db2.gz FDKFDOQZNXJTGK-UHFFFAOYSA-N 2 1 278.465 3.283 20 0 CGADMP c1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](CCC2CC2)CC3)c1 ZINC001276513667 809014757 /nfs/dbraw/zinc/01/47/57/809014757.db2.gz RIPUDXUQYYLSLA-UHFFFAOYSA-N 2 1 287.451 3.103 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C2CC2)cc1 ZINC001276819168 809033350 /nfs/dbraw/zinc/03/33/50/809033350.db2.gz PIXVITCYWIAPSX-AYHJJNSGSA-N 2 1 270.420 3.279 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc2cc[nH]c21 ZINC001276942897 809048485 /nfs/dbraw/zinc/04/84/85/809048485.db2.gz DIMUCROSYPTDDP-MQVJKMGUSA-N 2 1 287.382 3.022 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc2cc[nH]c21 ZINC001276942897 809048489 /nfs/dbraw/zinc/04/84/89/809048489.db2.gz DIMUCROSYPTDDP-MQVJKMGUSA-N 2 1 287.382 3.022 20 0 CGADMP COC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277584993 809082198 /nfs/dbraw/zinc/08/21/98/809082198.db2.gz YKTIBAPRRKBNTQ-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP COC(C)(C)C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277584993 809082205 /nfs/dbraw/zinc/08/22/05/809082205.db2.gz YKTIBAPRRKBNTQ-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP COC(C)(C)C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277584993 809082210 /nfs/dbraw/zinc/08/22/10/809082210.db2.gz YKTIBAPRRKBNTQ-GOSISDBHSA-N 2 1 294.483 3.142 20 0 CGADMP COC(C)(C)C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277584994 809082831 /nfs/dbraw/zinc/08/28/31/809082831.db2.gz YKTIBAPRRKBNTQ-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP COC(C)(C)C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277584994 809082838 /nfs/dbraw/zinc/08/28/38/809082838.db2.gz YKTIBAPRRKBNTQ-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP COC(C)(C)C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277584994 809082845 /nfs/dbraw/zinc/08/28/45/809082845.db2.gz YKTIBAPRRKBNTQ-SFHVURJKSA-N 2 1 294.483 3.142 20 0 CGADMP CCSCC[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277916213 809105468 /nfs/dbraw/zinc/10/54/68/809105468.db2.gz HAFSDFRXNBPSSA-IYBDPMFKSA-N 2 1 296.524 3.326 20 0 CGADMP CCSCC[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277916213 809105471 /nfs/dbraw/zinc/10/54/71/809105471.db2.gz HAFSDFRXNBPSSA-IYBDPMFKSA-N 2 1 296.524 3.326 20 0 CGADMP CCSCC[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277916213 809105476 /nfs/dbraw/zinc/10/54/76/809105476.db2.gz HAFSDFRXNBPSSA-IYBDPMFKSA-N 2 1 296.524 3.326 20 0 CGADMP C[N@H+]1C[C@@H]2CN(Cc3cccc(C(C)(C)C)c3)C[C@]2(C)C1 ZINC001176641125 809735509 /nfs/dbraw/zinc/73/55/09/809735509.db2.gz OZSHIBICBMIPIS-MJGOQNOKSA-N 2 1 286.463 3.368 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)C[C@]2(C)C1 ZINC001176641125 809735518 /nfs/dbraw/zinc/73/55/18/809735518.db2.gz OZSHIBICBMIPIS-MJGOQNOKSA-N 2 1 286.463 3.368 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3)C[C@]2(C)C1 ZINC001176641125 809735521 /nfs/dbraw/zinc/73/55/21/809735521.db2.gz OZSHIBICBMIPIS-MJGOQNOKSA-N 2 1 286.463 3.368 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001178916862 809893782 /nfs/dbraw/zinc/89/37/82/809893782.db2.gz PRIFPAAFSRMQRZ-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP CNc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179924497 809958808 /nfs/dbraw/zinc/95/88/08/809958808.db2.gz INNOPPQWWVDCRT-APWZRJJASA-N 2 1 299.462 3.177 20 0 CGADMP CNc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924497 809958812 /nfs/dbraw/zinc/95/88/12/809958812.db2.gz INNOPPQWWVDCRT-APWZRJJASA-N 2 1 299.462 3.177 20 0 CGADMP CNc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179924497 809958816 /nfs/dbraw/zinc/95/88/16/809958816.db2.gz INNOPPQWWVDCRT-APWZRJJASA-N 2 1 299.462 3.177 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001180540238 810009478 /nfs/dbraw/zinc/00/94/78/810009478.db2.gz JCLILBBGTPWRHO-SFHVURJKSA-N 2 1 272.436 3.474 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3C[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001181349929 810048311 /nfs/dbraw/zinc/04/83/11/810048311.db2.gz OAYQLWHONYLMGJ-VJANTYMQSA-N 2 1 284.447 3.287 20 0 CGADMP Cc1ccc(CC[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1C ZINC001182909933 810130964 /nfs/dbraw/zinc/13/09/64/810130964.db2.gz LPVPRYRJJNNICX-GOSISDBHSA-N 2 1 274.452 3.167 20 0 CGADMP COc1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)ccc1Cl ZINC001184197716 810181408 /nfs/dbraw/zinc/18/14/08/810181408.db2.gz RQHGFZYEWRMZBC-UHFFFAOYSA-N 2 1 298.858 3.368 20 0 CGADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)ccc1Cl ZINC001184197716 810181411 /nfs/dbraw/zinc/18/14/11/810181411.db2.gz RQHGFZYEWRMZBC-UHFFFAOYSA-N 2 1 298.858 3.368 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001184387445 810197046 /nfs/dbraw/zinc/19/70/46/810197046.db2.gz JYRCHDUUWBTYIH-XUWVNRHRSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ncccc1C ZINC001198640980 811527986 /nfs/dbraw/zinc/52/79/86/811527986.db2.gz KVVIOLWVZFZVEO-CQSZACIVSA-N 2 1 272.396 3.026 20 0 CGADMP CN(C)c1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001199420106 811576637 /nfs/dbraw/zinc/57/66/37/811576637.db2.gz HYHQILUUVCLZLR-UHFFFAOYSA-N 2 1 289.467 3.105 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001199842427 811602982 /nfs/dbraw/zinc/60/29/82/811602982.db2.gz JANODDPPSXAUND-KLHDSHLOSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001200356088 811680650 /nfs/dbraw/zinc/68/06/50/811680650.db2.gz POWPYGCVHUHOHO-AEFFLSMTSA-N 2 1 274.452 3.187 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CC[N@@H+]2CCCC[C@H]2CC)CCO1 ZINC001200355537 811681201 /nfs/dbraw/zinc/68/12/01/811681201.db2.gz KNJJJDAOXRLPDH-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+]CC[N@H+]2CCCC[C@H]2CC)CCO1 ZINC001200355537 811681206 /nfs/dbraw/zinc/68/12/06/811681206.db2.gz KNJJJDAOXRLPDH-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC(C)(C)C1 ZINC001200526113 811710239 /nfs/dbraw/zinc/71/02/39/811710239.db2.gz MLLVRLNLAYFTAO-YESZJQIVSA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)(C)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201433159 811845024 /nfs/dbraw/zinc/84/50/24/811845024.db2.gz TZHHKSSZDOOKOJ-ZIAGYGMSSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)(C)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001201433156 811845275 /nfs/dbraw/zinc/84/52/75/811845275.db2.gz TZHHKSSZDOOKOJ-KBPBESRZSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201497269 811867320 /nfs/dbraw/zinc/86/73/20/811867320.db2.gz VAWVYTZYGQLGEV-OAHLLOKOSA-N 2 1 261.413 3.124 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201497269 811867328 /nfs/dbraw/zinc/86/73/28/811867328.db2.gz VAWVYTZYGQLGEV-OAHLLOKOSA-N 2 1 261.413 3.124 20 0 CGADMP CCC[N@H+](CCCc1ccccc1)CCC[NH+](C)C ZINC001201671331 811935010 /nfs/dbraw/zinc/93/50/10/811935010.db2.gz GSUARAZZCHNFFG-UHFFFAOYSA-N 2 1 262.441 3.283 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001202242409 812049987 /nfs/dbraw/zinc/04/99/87/812049987.db2.gz MGTKYSRSUCUXBK-UHFFFAOYSA-N 2 1 289.467 3.248 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC001202722950 812159295 /nfs/dbraw/zinc/15/92/95/812159295.db2.gz XOCUTWKEPQECBT-KDURUIRLSA-N 2 1 284.447 3.159 20 0 CGADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001203360140 812322837 /nfs/dbraw/zinc/32/28/37/812322837.db2.gz SLEBAJRFBXSTRQ-HNNXBMFYSA-N 2 1 286.350 3.182 20 0 CGADMP Cc1cnccc1O[C@H]1CCN(Cc2ccccc2F)C1 ZINC001203360140 812322848 /nfs/dbraw/zinc/32/28/48/812322848.db2.gz SLEBAJRFBXSTRQ-HNNXBMFYSA-N 2 1 286.350 3.182 20 0 CGADMP Cc1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001203707949 812435826 /nfs/dbraw/zinc/43/58/26/812435826.db2.gz AODAKMDHNQYNOQ-UHFFFAOYSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001203744444 812449868 /nfs/dbraw/zinc/44/98/68/812449868.db2.gz DVKTUKGMHKSDEZ-UHFFFAOYSA-N 2 1 260.425 3.138 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001203744444 812449872 /nfs/dbraw/zinc/44/98/72/812449872.db2.gz DVKTUKGMHKSDEZ-UHFFFAOYSA-N 2 1 260.425 3.138 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001203752567 812455063 /nfs/dbraw/zinc/45/50/63/812455063.db2.gz XWSYQZWXUWVCFR-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001203752567 812455065 /nfs/dbraw/zinc/45/50/65/812455065.db2.gz XWSYQZWXUWVCFR-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP Oc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203860314 812474978 /nfs/dbraw/zinc/47/49/78/812474978.db2.gz KWGWFHBCLLDBQL-QGZVFWFLSA-N 2 1 288.435 3.233 20 0 CGADMP Oc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203860314 812474980 /nfs/dbraw/zinc/47/49/80/812474980.db2.gz KWGWFHBCLLDBQL-QGZVFWFLSA-N 2 1 288.435 3.233 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]2C1 ZINC001203987630 812510000 /nfs/dbraw/zinc/51/00/00/812510000.db2.gz ACTRNSBIQIATAC-HDICACEKSA-N 2 1 280.415 3.223 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]2C1 ZINC001203987630 812510004 /nfs/dbraw/zinc/51/00/04/812510004.db2.gz ACTRNSBIQIATAC-HDICACEKSA-N 2 1 280.415 3.223 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@@H]2C1 ZINC001203987630 812510007 /nfs/dbraw/zinc/51/00/07/812510007.db2.gz ACTRNSBIQIATAC-HDICACEKSA-N 2 1 280.415 3.223 20 0 CGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC001204016782 812520642 /nfs/dbraw/zinc/52/06/42/812520642.db2.gz IZGAMMBRRJJUGF-CYBMUJFWSA-N 2 1 274.389 3.105 20 0 CGADMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC001204016782 812520648 /nfs/dbraw/zinc/52/06/48/812520648.db2.gz IZGAMMBRRJJUGF-CYBMUJFWSA-N 2 1 274.389 3.105 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001204272126 812592164 /nfs/dbraw/zinc/59/21/64/812592164.db2.gz WUZBLCTZOBTWLW-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP C[N@@H+](CCC1CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC001204441729 812640025 /nfs/dbraw/zinc/64/00/25/812640025.db2.gz RCVHWHDDAXLAMT-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC001204441729 812640029 /nfs/dbraw/zinc/64/00/29/812640029.db2.gz RCVHWHDDAXLAMT-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC001204441729 812640031 /nfs/dbraw/zinc/64/00/31/812640031.db2.gz RCVHWHDDAXLAMT-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC001204591571 812682571 /nfs/dbraw/zinc/68/25/71/812682571.db2.gz GSJNSNBONAHGQN-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccccc1 ZINC001204611151 812690165 /nfs/dbraw/zinc/69/01/65/812690165.db2.gz BHPFJOIFNJSDAJ-UHFFFAOYSA-N 2 1 286.444 3.416 20 0 CGADMP CCC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)[C@H](C)CC ZINC001204630799 812695178 /nfs/dbraw/zinc/69/51/78/812695178.db2.gz XDFHGCCLOLWJRS-GFCCVEGCSA-N 2 1 266.454 3.404 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727565 812719196 /nfs/dbraw/zinc/71/91/96/812719196.db2.gz DBZISWVCSRKWIU-UHFFFAOYSA-N 2 1 290.476 3.374 20 0 CGADMP C[C@]1([NH3+])CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204782284 812735502 /nfs/dbraw/zinc/73/55/02/812735502.db2.gz CLTFNLCKUNVHGT-SFHVURJKSA-N 2 1 266.388 3.277 20 0 CGADMP C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204782284 812735506 /nfs/dbraw/zinc/73/55/06/812735506.db2.gz CLTFNLCKUNVHGT-SFHVURJKSA-N 2 1 266.388 3.277 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC001204876382 812759981 /nfs/dbraw/zinc/75/99/81/812759981.db2.gz ZDGQLUNPMOKCCA-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904678 812771374 /nfs/dbraw/zinc/77/13/74/812771374.db2.gz WTZPCRCBWQHXCW-LSDHHAIUSA-N 2 1 250.430 3.182 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904678 812771377 /nfs/dbraw/zinc/77/13/77/812771377.db2.gz WTZPCRCBWQHXCW-LSDHHAIUSA-N 2 1 250.430 3.182 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1 ZINC001205001914 812818662 /nfs/dbraw/zinc/81/86/62/812818662.db2.gz XLCJZIATGZTQBU-HUUCEWRRSA-N 2 1 254.462 3.380 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1CC ZINC001205009307 812822859 /nfs/dbraw/zinc/82/28/59/812822859.db2.gz NDUVCEMSKSFYAS-MRXNPFEDSA-N 2 1 290.451 3.079 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1CC ZINC001205009307 812822867 /nfs/dbraw/zinc/82/28/67/812822867.db2.gz NDUVCEMSKSFYAS-MRXNPFEDSA-N 2 1 290.451 3.079 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2OC)C1 ZINC001205015376 812826623 /nfs/dbraw/zinc/82/66/23/812826623.db2.gz CHVMSYALNHOGGY-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2OC)C1 ZINC001205015376 812826634 /nfs/dbraw/zinc/82/66/34/812826634.db2.gz CHVMSYALNHOGGY-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001205017528 812828592 /nfs/dbraw/zinc/82/85/92/812828592.db2.gz PJOXVJGAELWHRO-CYBMUJFWSA-N 2 1 274.433 3.333 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC001205093558 812859680 /nfs/dbraw/zinc/85/96/80/812859680.db2.gz BPPZBUPDIXUKPJ-AWDGRILASA-N 2 1 276.468 3.406 20 0 CGADMP Cc1cc(N2CC[NH+](Cc3ccc(C)c(F)c3)CC2)cc[nH+]1 ZINC001205251134 812918050 /nfs/dbraw/zinc/91/80/50/812918050.db2.gz HGNXHOKUHADFMD-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Br)cc2)CC1 ZINC001205266324 812922267 /nfs/dbraw/zinc/92/22/67/812922267.db2.gz TUALVDDXHFQRIT-CQSZACIVSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC001205266324 812922270 /nfs/dbraw/zinc/92/22/70/812922270.db2.gz TUALVDDXHFQRIT-CQSZACIVSA-N 2 1 297.240 3.152 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cc21 ZINC001205273126 812924247 /nfs/dbraw/zinc/92/42/47/812924247.db2.gz FNVLHRCSPNQEEI-GOSISDBHSA-N 2 1 285.435 3.365 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273664 812925768 /nfs/dbraw/zinc/92/57/68/812925768.db2.gz NYSVMOQWWYVVHR-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001205274040 812925841 /nfs/dbraw/zinc/92/58/41/812925841.db2.gz SIQFOHVNUUVFBX-KRWDZBQOSA-N 2 1 287.382 3.077 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273705 812926427 /nfs/dbraw/zinc/92/64/27/812926427.db2.gz PDDRHUQLPDAQMT-SFHVURJKSA-N 2 1 285.435 3.365 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205289469 812933159 /nfs/dbraw/zinc/93/31/59/812933159.db2.gz YCADKJFIGLPQSH-MRXNPFEDSA-N 2 1 264.388 3.146 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001205297131 812937716 /nfs/dbraw/zinc/93/77/16/812937716.db2.gz ZPUFJWPLWFUZDM-KFWWJZLASA-N 2 1 254.462 3.366 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC(C)C ZINC001205303265 812940784 /nfs/dbraw/zinc/94/07/84/812940784.db2.gz BSRZAILACGCITN-RHSMWYFYSA-N 2 1 290.451 3.199 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205304251 812941760 /nfs/dbraw/zinc/94/17/60/812941760.db2.gz NHMYXIFPTGAIPI-WBVHZDCISA-N 2 1 290.451 3.282 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205315379 812947752 /nfs/dbraw/zinc/94/77/52/812947752.db2.gz FLUNRIHYVLRWIK-IUODEOHRSA-N 2 1 280.843 3.374 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205315422 812947852 /nfs/dbraw/zinc/94/78/52/812947852.db2.gz GQNDVSNMKCZRFE-RYUDHWBXSA-N 2 1 298.883 3.479 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205315422 812947856 /nfs/dbraw/zinc/94/78/56/812947856.db2.gz GQNDVSNMKCZRFE-RYUDHWBXSA-N 2 1 298.883 3.479 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c2c1 ZINC001205545332 813000329 /nfs/dbraw/zinc/00/03/29/813000329.db2.gz DJKCRJZVJOVSCH-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Cl ZINC001205570056 813005577 /nfs/dbraw/zinc/00/55/77/813005577.db2.gz DNKKZAJUFYFIMQ-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570066 813006521 /nfs/dbraw/zinc/00/65/21/813006521.db2.gz DVNJWKUZTVAKOV-KRWDZBQOSA-N 2 1 278.415 3.463 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Cl ZINC001205578897 813010973 /nfs/dbraw/zinc/01/09/73/813010973.db2.gz JTGLVRJVZDAWEN-HNNXBMFYSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001205602278 813019177 /nfs/dbraw/zinc/01/91/77/813019177.db2.gz IGOBBAQOKTVAQE-DZGCQCFKSA-N 2 1 280.843 3.189 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1C ZINC001205605018 813020741 /nfs/dbraw/zinc/02/07/41/813020741.db2.gz YOFUXULYKAVFKN-GDBMZVCRSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC001205604745 813021124 /nfs/dbraw/zinc/02/11/24/813021124.db2.gz WONGTLNHBJRBJV-OLZOCXBDSA-N 2 1 266.816 3.147 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cccc(F)c23)CC[C@H]1C[NH3+] ZINC001205616965 813025885 /nfs/dbraw/zinc/02/58/85/813025885.db2.gz HTFMOGUPZZDWPG-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(C)s1 ZINC001205615780 813026553 /nfs/dbraw/zinc/02/65/53/813026553.db2.gz AZBOWZBHEJLPSN-RISCZKNCSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3cccnc32)CC[C@H]1C[NH3+] ZINC001205618628 813029615 /nfs/dbraw/zinc/02/96/15/813029615.db2.gz XUPDWHBBLWVTJT-HOCLYGCPSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-n2cccc2)CC[C@H]1C[NH3+] ZINC001205637509 813035623 /nfs/dbraw/zinc/03/56/23/813035623.db2.gz HQLWIMZKBGWRHT-SJORKVTESA-N 2 1 297.446 3.284 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3c2CCCC3)CC[C@H]1C[NH3+] ZINC001205639114 813039019 /nfs/dbraw/zinc/03/90/19/813039019.db2.gz VXQZHQRRZPXNMO-RDJZCZTQSA-N 2 1 286.463 3.372 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c12 ZINC001205651853 813041422 /nfs/dbraw/zinc/04/14/22/813041422.db2.gz KSKJSWSGPFVDOZ-GDBMZVCRSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(O)cc3ccccc32)CC[C@H]1C[NH3+] ZINC001205654913 813044216 /nfs/dbraw/zinc/04/42/16/813044216.db2.gz YCWAVRJPCYEDHW-ZBFHGGJFSA-N 2 1 298.430 3.352 20 0 CGADMP C[C@H](CC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001205736487 813064287 /nfs/dbraw/zinc/06/42/87/813064287.db2.gz ZLGGLWZPVQWVAG-OLZOCXBDSA-N 2 1 276.415 3.365 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CCC1(F)F ZINC001205779416 813075249 /nfs/dbraw/zinc/07/52/49/813075249.db2.gz KSWGVMSYSUALGL-GFCCVEGCSA-N 2 1 290.304 3.040 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCC1(F)F ZINC001205779416 813075260 /nfs/dbraw/zinc/07/52/60/813075260.db2.gz KSWGVMSYSUALGL-GFCCVEGCSA-N 2 1 290.304 3.040 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205803992 813085462 /nfs/dbraw/zinc/08/54/62/813085462.db2.gz LFCANOWAVJNIAW-GDBMZVCRSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205803992 813085472 /nfs/dbraw/zinc/08/54/72/813085472.db2.gz LFCANOWAVJNIAW-GDBMZVCRSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817834 813094203 /nfs/dbraw/zinc/09/42/03/813094203.db2.gz RNHIWJYXRNJOET-DYVFJYSZSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817834 813094213 /nfs/dbraw/zinc/09/42/13/813094213.db2.gz RNHIWJYXRNJOET-DYVFJYSZSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001205817834 813094221 /nfs/dbraw/zinc/09/42/21/813094221.db2.gz RNHIWJYXRNJOET-DYVFJYSZSA-N 2 1 284.403 3.105 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])c[nH]c2c1 ZINC001205818951 813095947 /nfs/dbraw/zinc/09/59/47/813095947.db2.gz VJWCDNCOWQXORO-HIFRSBDPSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])c[nH]c2c1 ZINC001205818951 813095957 /nfs/dbraw/zinc/09/59/57/813095957.db2.gz VJWCDNCOWQXORO-HIFRSBDPSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205829999 813099915 /nfs/dbraw/zinc/09/99/15/813099915.db2.gz QNKFIWNTWZPLDR-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001205829999 813099923 /nfs/dbraw/zinc/09/99/23/813099923.db2.gz QNKFIWNTWZPLDR-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205832095 813101794 /nfs/dbraw/zinc/10/17/94/813101794.db2.gz ZJRVHIAHPIKSHB-WMLDXEAASA-N 2 1 260.425 3.198 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205832095 813101801 /nfs/dbraw/zinc/10/18/01/813101801.db2.gz ZJRVHIAHPIKSHB-WMLDXEAASA-N 2 1 260.425 3.198 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205839085 813103023 /nfs/dbraw/zinc/10/30/23/813103023.db2.gz DOKZIUTXBQKHAE-HOCLYGCPSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205839085 813103026 /nfs/dbraw/zinc/10/30/26/813103026.db2.gz DOKZIUTXBQKHAE-HOCLYGCPSA-N 2 1 260.425 3.369 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001205844351 813105896 /nfs/dbraw/zinc/10/58/96/813105896.db2.gz WOCXSCPNONBDGC-WMLDXEAASA-N 2 1 272.436 3.125 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001205844351 813105898 /nfs/dbraw/zinc/10/58/98/813105898.db2.gz WOCXSCPNONBDGC-WMLDXEAASA-N 2 1 272.436 3.125 20 0 CGADMP CCc1cccc(C)c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205851786 813108260 /nfs/dbraw/zinc/10/82/60/813108260.db2.gz BTLNHAAKSMZPDE-CZUORRHYSA-N 2 1 260.425 3.117 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205851786 813108264 /nfs/dbraw/zinc/10/82/64/813108264.db2.gz BTLNHAAKSMZPDE-CZUORRHYSA-N 2 1 260.425 3.117 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCC(C)(C)c1ccccc1 ZINC001205900999 813122943 /nfs/dbraw/zinc/12/29/43/813122943.db2.gz AJGSCLDMYZCNAH-HOTGVXAUSA-N 2 1 274.452 3.414 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2cccnc2)cc1 ZINC001205901974 813124624 /nfs/dbraw/zinc/12/46/24/813124624.db2.gz GPJXJNNASRLRKQ-CRAIPNDOSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205904377 813126613 /nfs/dbraw/zinc/12/66/13/813126613.db2.gz URZXUCKKWLENRF-UONOGXRCSA-N 2 1 271.408 3.036 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)C1(C)C ZINC001205904139 813126811 /nfs/dbraw/zinc/12/68/11/813126811.db2.gz SHSFXMKHINFBBT-OWCLPIDISA-N 2 1 264.457 3.428 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)ccc2n1 ZINC001205912934 813129316 /nfs/dbraw/zinc/12/93/16/813129316.db2.gz DYAZYWCHXWMMJZ-YOEHRIQHSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1C ZINC001205912744 813129371 /nfs/dbraw/zinc/12/93/71/813129371.db2.gz BXKGGKXIVQCDBI-HOTGVXAUSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205914823 813131639 /nfs/dbraw/zinc/13/16/39/813131639.db2.gz ODXMHCDBYYVIGM-GDBMZVCRSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1Cl ZINC001205916652 813132496 /nfs/dbraw/zinc/13/24/96/813132496.db2.gz VPNCZXOYKGCMDV-TZMCWYRMSA-N 2 1 266.816 3.208 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(F)c1 ZINC001205923236 813136066 /nfs/dbraw/zinc/13/60/66/813136066.db2.gz LJWAEHKFOBVPSJ-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(F)c1 ZINC001205923236 813136068 /nfs/dbraw/zinc/13/60/68/813136068.db2.gz LJWAEHKFOBVPSJ-ZIAGYGMSSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001205923188 813136285 /nfs/dbraw/zinc/13/62/85/813136285.db2.gz KMPUSFKBWGXGEX-WFASDCNBSA-N 2 1 276.399 3.262 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205939915 813141993 /nfs/dbraw/zinc/14/19/93/813141993.db2.gz VWWPMCGQBYGMRG-SFHVURJKSA-N 2 1 296.414 3.372 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205939915 813141997 /nfs/dbraw/zinc/14/19/97/813141997.db2.gz VWWPMCGQBYGMRG-SFHVURJKSA-N 2 1 296.414 3.372 20 0 CGADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001205940030 813142988 /nfs/dbraw/zinc/14/29/88/813142988.db2.gz YZFKTMWONSYGBD-INIZCTEOSA-N 2 1 254.377 3.105 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205940030 813142990 /nfs/dbraw/zinc/14/29/90/813142990.db2.gz YZFKTMWONSYGBD-INIZCTEOSA-N 2 1 254.377 3.105 20 0 CGADMP C[C@@H]1C[N@@H+](CC2(c3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001205983081 813151390 /nfs/dbraw/zinc/15/13/90/813151390.db2.gz NHAQSMLGVXILHO-HZPDHXFCSA-N 2 1 272.436 3.025 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001205985800 813152654 /nfs/dbraw/zinc/15/26/54/813152654.db2.gz ZZCPCTWJCXRHRD-QAETUUGQSA-N 2 1 264.457 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205995331 813156749 /nfs/dbraw/zinc/15/67/49/813156749.db2.gz NQMNZPDWSYAQJA-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc(F)ccc23)CCC[C@H]1C[NH3+] ZINC001205996006 813156868 /nfs/dbraw/zinc/15/68/68/813156868.db2.gz SYGPPIUBSZEJPY-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001205996012 813157112 /nfs/dbraw/zinc/15/71/12/813157112.db2.gz TURADNKYDZJGRK-GJZGRUSLSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2sccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205996731 813158491 /nfs/dbraw/zinc/15/84/91/813158491.db2.gz XZLMAKNGZNASBS-GHMZBOCLSA-N 2 1 272.845 3.208 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c21 ZINC001206004021 813161138 /nfs/dbraw/zinc/16/11/38/813161138.db2.gz OZAGCBQNCOBTHF-LSDHHAIUSA-N 2 1 285.435 3.283 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206012266 813164819 /nfs/dbraw/zinc/16/48/19/813164819.db2.gz JLZIJISNLMLRHO-MAUKXSAKSA-N 2 1 274.452 3.446 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc(F)c1F ZINC001206026226 813170392 /nfs/dbraw/zinc/17/03/92/813170392.db2.gz QYVABJJVELVEBK-WCQYABFASA-N 2 1 282.378 3.080 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1C ZINC001206028214 813171486 /nfs/dbraw/zinc/17/14/86/813171486.db2.gz XTQMSKPFLXBJGZ-NVXWUHKLSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@@H]1CC[N@H+](CCCCCc2ccccc2)C[C@H]1[NH3+] ZINC001206035715 813175594 /nfs/dbraw/zinc/17/55/94/813175594.db2.gz DBKDZGMONWVWHZ-NVXWUHKLSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@H]1[NH3+] ZINC001206035715 813175600 /nfs/dbraw/zinc/17/56/00/813175600.db2.gz DBKDZGMONWVWHZ-NVXWUHKLSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206036687 813176017 /nfs/dbraw/zinc/17/60/17/813176017.db2.gz NWYJMHFLWAGROW-BZUAXINKSA-N 2 1 252.446 3.428 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c(C)c1C ZINC001206043403 813179997 /nfs/dbraw/zinc/17/99/97/813179997.db2.gz CRSRWADXSSEZEB-ADLMAVQZSA-N 2 1 274.452 3.398 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c(C)c1C ZINC001206043403 813180001 /nfs/dbraw/zinc/18/00/01/813180001.db2.gz CRSRWADXSSEZEB-ADLMAVQZSA-N 2 1 274.452 3.398 20 0 CGADMP C[C@@H]1C[N@H+](Cc2cccc3c4ccccc4oc32)C[C@H]1[NH3+] ZINC001206058632 813186132 /nfs/dbraw/zinc/18/61/32/813186132.db2.gz KKJCXXDFLGNPMX-MLGOLLRUSA-N 2 1 280.371 3.365 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@H]1[NH3+] ZINC001206058632 813186134 /nfs/dbraw/zinc/18/61/34/813186134.db2.gz KKJCXXDFLGNPMX-MLGOLLRUSA-N 2 1 280.371 3.365 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]C3)CCC[C@@H]1C ZINC001206109543 813202222 /nfs/dbraw/zinc/20/22/22/813202222.db2.gz BIZLAXSGRMSNSX-KBPBESRZSA-N 2 1 258.409 3.158 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1F ZINC001206188927 813233498 /nfs/dbraw/zinc/23/34/98/813233498.db2.gz WGJLOQXGKNUNFB-IRXDYDNUSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)CC[C@H]1F ZINC001206200980 813237766 /nfs/dbraw/zinc/23/77/66/813237766.db2.gz UWDDJFQSBQQPSL-SJORKVTESA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC[C@H]1F ZINC001206200980 813237770 /nfs/dbraw/zinc/23/77/70/813237770.db2.gz UWDDJFQSBQQPSL-SJORKVTESA-N 2 1 299.393 3.010 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C)c1Cl ZINC001206212518 813243023 /nfs/dbraw/zinc/24/30/23/813243023.db2.gz RWVWSZWNKYGSEG-ZIAGYGMSSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C)c1Cl ZINC001206212518 813243027 /nfs/dbraw/zinc/24/30/27/813243027.db2.gz RWVWSZWNKYGSEG-ZIAGYGMSSA-N 2 1 284.806 3.218 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC001206246843 813253906 /nfs/dbraw/zinc/25/39/06/813253906.db2.gz AVBZWENBOPYIAY-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC001206246843 813253912 /nfs/dbraw/zinc/25/39/12/813253912.db2.gz AVBZWENBOPYIAY-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC001206257666 813258788 /nfs/dbraw/zinc/25/87/88/813258788.db2.gz HCUICKFRDSGAHM-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC001206257666 813258795 /nfs/dbraw/zinc/25/87/95/813258795.db2.gz HCUICKFRDSGAHM-AWEZNQCLSA-N 2 1 254.377 3.024 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC001206258364 813259875 /nfs/dbraw/zinc/25/98/75/813259875.db2.gz XGLCFQFVYQVSHW-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001206258364 813259880 /nfs/dbraw/zinc/25/98/80/813259880.db2.gz XGLCFQFVYQVSHW-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001206263296 813262284 /nfs/dbraw/zinc/26/22/84/813262284.db2.gz UMTGEEPFEQOAEZ-NSHDSACASA-N 2 1 277.799 3.005 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC001206263296 813262289 /nfs/dbraw/zinc/26/22/89/813262289.db2.gz UMTGEEPFEQOAEZ-NSHDSACASA-N 2 1 277.799 3.005 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001206277282 813268826 /nfs/dbraw/zinc/26/88/26/813268826.db2.gz QMXBHTCGBXLARQ-OAHLLOKOSA-N 2 1 292.426 3.299 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001206277282 813268834 /nfs/dbraw/zinc/26/88/34/813268834.db2.gz QMXBHTCGBXLARQ-OAHLLOKOSA-N 2 1 292.426 3.299 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC001206292909 813274588 /nfs/dbraw/zinc/27/45/88/813274588.db2.gz FPJSGJUKVSWYEM-GOSISDBHSA-N 2 1 272.436 3.126 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2cccc(F)c2)CC1 ZINC001206293108 813275272 /nfs/dbraw/zinc/27/52/72/813275272.db2.gz GHTIZAKVTTVKHN-QGZVFWFLSA-N 2 1 278.415 3.209 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)s1 ZINC001206292810 813275764 /nfs/dbraw/zinc/27/57/64/813275764.db2.gz DOVWFUZMGQOKMC-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(C)s1 ZINC001206305168 813281597 /nfs/dbraw/zinc/28/15/97/813281597.db2.gz VDMGECGBPUVLNE-OAHLLOKOSA-N 2 1 266.454 3.316 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1Cl ZINC001206311846 813283877 /nfs/dbraw/zinc/28/38/77/813283877.db2.gz VVNDRPRRMRFJSR-MRXNPFEDSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC001206318694 813287062 /nfs/dbraw/zinc/28/70/62/813287062.db2.gz SRIOEYIKLKRQSG-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1F ZINC001206327434 813290047 /nfs/dbraw/zinc/29/00/47/813290047.db2.gz WKLUXJXATPDHHR-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001206326826 813290429 /nfs/dbraw/zinc/29/04/29/813290429.db2.gz PMJLVUSSZLWLFK-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206327780 813291312 /nfs/dbraw/zinc/29/13/12/813291312.db2.gz XQDUDUIHTQFPQO-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206363456 813304098 /nfs/dbraw/zinc/30/40/98/813304098.db2.gz XHFIBLOXXZGTAH-KRWDZBQOSA-N 2 1 276.399 3.217 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206363456 813304104 /nfs/dbraw/zinc/30/41/04/813304104.db2.gz XHFIBLOXXZGTAH-KRWDZBQOSA-N 2 1 276.399 3.217 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc3ccoc32)C1 ZINC001206369602 813306143 /nfs/dbraw/zinc/30/61/43/813306143.db2.gz GHHKANKRWRKSJQ-INIZCTEOSA-N 2 1 276.355 3.086 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001206369602 813306151 /nfs/dbraw/zinc/30/61/51/813306151.db2.gz GHHKANKRWRKSJQ-INIZCTEOSA-N 2 1 276.355 3.086 20 0 CGADMP C[C@@]1(F)CCCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001206401875 813315226 /nfs/dbraw/zinc/31/52/26/813315226.db2.gz AVBFNRFMIAQQRQ-OAHLLOKOSA-N 2 1 282.428 3.108 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C[C@H]1OC ZINC001206538438 813342535 /nfs/dbraw/zinc/34/25/35/813342535.db2.gz YMDNZYBFAXHANT-HZPDHXFCSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541390 813344575 /nfs/dbraw/zinc/34/45/75/813344575.db2.gz GYRKHNYDKRCVBF-WMZOPIPTSA-N 2 1 298.515 3.405 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001206540466 813344956 /nfs/dbraw/zinc/34/49/56/813344956.db2.gz BRXVYIBHZPXLTR-HNNXBMFYSA-N 2 1 266.816 3.291 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CC2(c3ccccc3)CC2)C1 ZINC001206540802 813345027 /nfs/dbraw/zinc/34/50/27/813345027.db2.gz DAVMITYPKNBVML-QGZVFWFLSA-N 2 1 272.436 3.169 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549960 813348715 /nfs/dbraw/zinc/34/87/15/813348715.db2.gz RZPCGWISNPMLQL-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206616056 813375167 /nfs/dbraw/zinc/37/51/67/813375167.db2.gz MYGKUGFPPUSYTK-CYBMUJFWSA-N 2 1 296.842 3.300 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206616056 813375172 /nfs/dbraw/zinc/37/51/72/813375172.db2.gz MYGKUGFPPUSYTK-CYBMUJFWSA-N 2 1 296.842 3.300 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001206616941 813375248 /nfs/dbraw/zinc/37/52/48/813375248.db2.gz UVYWYXKVUMYSHX-GFCCVEGCSA-N 2 1 291.826 3.382 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639218 813382309 /nfs/dbraw/zinc/38/23/09/813382309.db2.gz CHMYLDRYDMDDNH-CQSZACIVSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639218 813382317 /nfs/dbraw/zinc/38/23/17/813382317.db2.gz CHMYLDRYDMDDNH-CQSZACIVSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206640746 813383408 /nfs/dbraw/zinc/38/34/08/813383408.db2.gz MNWXPCBDGPTZGJ-INIZCTEOSA-N 2 1 260.425 3.371 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206646702 813385104 /nfs/dbraw/zinc/38/51/04/813385104.db2.gz DNAXYVKEPSFEPB-CQSZACIVSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206646702 813385110 /nfs/dbraw/zinc/38/51/10/813385110.db2.gz DNAXYVKEPSFEPB-CQSZACIVSA-N 2 1 294.414 3.174 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001206646952 813385277 /nfs/dbraw/zinc/38/52/77/813385277.db2.gz FLIDASRCHYQVOR-CQSZACIVSA-N 2 1 276.399 3.264 20 0 CGADMP Cc1c(C[NH+]2CC(C)(C[NH3+])C2)cccc1-c1ccccc1 ZINC001206737852 813414180 /nfs/dbraw/zinc/41/41/80/813414180.db2.gz SWVQZYKPKRGRIW-UHFFFAOYSA-N 2 1 280.415 3.443 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cccc(Cl)c12 ZINC001206772194 813433786 /nfs/dbraw/zinc/43/37/86/813433786.db2.gz ZBSIBDMGIMEZDP-NEPJUHHUSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1-n1cccc1 ZINC001206807252 813442343 /nfs/dbraw/zinc/44/23/43/813442343.db2.gz IAWUELCHCZLUKG-HOTGVXAUSA-N 2 1 283.419 3.037 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)C1(C)C ZINC001207275422 813529934 /nfs/dbraw/zinc/52/99/34/813529934.db2.gz IVXFQEDCSPVGJG-BRWVUGGUSA-N 2 1 276.468 3.395 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCCc1ccccc1 ZINC001207285467 813535831 /nfs/dbraw/zinc/53/58/31/813535831.db2.gz LELKNDQRCJPZRO-UHFFFAOYSA-N 2 1 262.441 3.139 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCOC(C)(C)C2)CC1 ZINC001207370367 813553393 /nfs/dbraw/zinc/55/33/93/813553393.db2.gz HYUXITGBBIWXRG-MRXNPFEDSA-N 2 1 296.499 3.388 20 0 CGADMP Fc1cccc(F)c1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207440919 813565544 /nfs/dbraw/zinc/56/55/44/813565544.db2.gz MAGSNLPGGWAEHE-OAHLLOKOSA-N 2 1 280.362 3.101 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCc3cccc(Cl)c3)C2)C1 ZINC001207593898 813603552 /nfs/dbraw/zinc/60/35/52/813603552.db2.gz OHRAJKFBNMHTPH-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCc3cccc(Cl)c3)C2)C1 ZINC001207593898 813603556 /nfs/dbraw/zinc/60/35/56/813603556.db2.gz OHRAJKFBNMHTPH-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCc3cccc(Cl)c3)C2)C1 ZINC001207593898 813603560 /nfs/dbraw/zinc/60/35/60/813603560.db2.gz OHRAJKFBNMHTPH-QGZVFWFLSA-N 2 1 292.854 3.300 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001207862034 813663644 /nfs/dbraw/zinc/66/36/44/813663644.db2.gz PHPLWCZTJHJRTQ-KRWDZBQOSA-N 3 1 297.531 3.207 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1(C)CCOCC1 ZINC001208077497 813688907 /nfs/dbraw/zinc/68/89/07/813688907.db2.gz VHILNKVPLRGCGP-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1(C)CCOCC1 ZINC001208077497 813688910 /nfs/dbraw/zinc/68/89/10/813688910.db2.gz VHILNKVPLRGCGP-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1(C)CCOCC1 ZINC001208077497 813688913 /nfs/dbraw/zinc/68/89/13/813688913.db2.gz VHILNKVPLRGCGP-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CC[N@@H+](CC1(C)CC[NH+](C)CC1)C1CCCCC1 ZINC001208104343 813693432 /nfs/dbraw/zinc/69/34/32/813693432.db2.gz MBAAVACURWHAPT-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208109602 813694287 /nfs/dbraw/zinc/69/42/87/813694287.db2.gz QDAVMTMLGYYPEB-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP C[N@@H+](CCc1ccccc1F)CC1(C)CC[NH+](C)CC1 ZINC001208110353 813695074 /nfs/dbraw/zinc/69/50/74/813695074.db2.gz BKQWQWKSPGVKAM-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP Cc1ccc([C@H](C)CC[NH+]2CCC([NH+]3CCC3)CC2)o1 ZINC001208166139 813720469 /nfs/dbraw/zinc/72/04/69/813720469.db2.gz WACRSJWVPHFQLL-CQSZACIVSA-N 2 1 276.424 3.252 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208195436 813739073 /nfs/dbraw/zinc/73/90/73/813739073.db2.gz XQBQCPHTOUSOQV-RLPXRCBWSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C\CCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001208195436 813739077 /nfs/dbraw/zinc/73/90/77/813739077.db2.gz XQBQCPHTOUSOQV-RLPXRCBWSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C\CCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001208195436 813739084 /nfs/dbraw/zinc/73/90/84/813739084.db2.gz XQBQCPHTOUSOQV-RLPXRCBWSA-N 2 1 250.430 3.006 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2nccs2)CC1 ZINC001208597761 813770929 /nfs/dbraw/zinc/77/09/29/813770929.db2.gz NIQKRNLNHMCWSQ-CQSZACIVSA-N 2 1 279.453 3.012 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC001208611430 813773531 /nfs/dbraw/zinc/77/35/31/813773531.db2.gz VSASLNQJXRVXOA-INIZCTEOSA-N 2 1 272.436 3.208 20 0 CGADMP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208608790 813775023 /nfs/dbraw/zinc/77/50/23/813775023.db2.gz SJHZLTSQQMUVRF-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208608790 813775027 /nfs/dbraw/zinc/77/50/27/813775027.db2.gz SJHZLTSQQMUVRF-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208608790 813775029 /nfs/dbraw/zinc/77/50/29/813775029.db2.gz SJHZLTSQQMUVRF-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP COc1ccc([C@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208608790 813775041 /nfs/dbraw/zinc/77/50/41/813775041.db2.gz SJHZLTSQQMUVRF-CRAIPNDOSA-N 2 1 288.435 3.174 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC001208929189 813904346 /nfs/dbraw/zinc/90/43/46/813904346.db2.gz PHQLAPIIMWDPGX-GOSISDBHSA-N 2 1 272.436 3.385 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209426992 814028674 /nfs/dbraw/zinc/02/86/74/814028674.db2.gz NLVRNFVDLRZZKI-VBSBHUPXSA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209426992 814028680 /nfs/dbraw/zinc/02/86/80/814028680.db2.gz NLVRNFVDLRZZKI-VBSBHUPXSA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209426992 814028687 /nfs/dbraw/zinc/02/86/87/814028687.db2.gz NLVRNFVDLRZZKI-VBSBHUPXSA-N 2 1 298.474 3.486 20 0 CGADMP C[C@@]1(F)CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449348 814048502 /nfs/dbraw/zinc/04/85/02/814048502.db2.gz GSVIITNHMUZNJY-OAHLLOKOSA-N 2 1 256.409 3.077 20 0 CGADMP C[C@@]1(F)CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449348 814048505 /nfs/dbraw/zinc/04/85/05/814048505.db2.gz GSVIITNHMUZNJY-OAHLLOKOSA-N 2 1 256.409 3.077 20 0 CGADMP Cc1ccc2[nH]cc(C[NH+]3CCC([NH+]4CCC4)CC3)c2c1 ZINC001209500071 814065505 /nfs/dbraw/zinc/06/55/05/814065505.db2.gz QGZLRMGLIPMUFW-UHFFFAOYSA-N 2 1 283.419 3.146 20 0 CGADMP Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001209573841 814087097 /nfs/dbraw/zinc/08/70/97/814087097.db2.gz BMFQMIMFVYTNQC-SFHVURJKSA-N 2 1 297.446 3.277 20 0 CGADMP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)[nH]1 ZINC001209573841 814087105 /nfs/dbraw/zinc/08/71/05/814087105.db2.gz BMFQMIMFVYTNQC-SFHVURJKSA-N 2 1 297.446 3.277 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)[nH]1 ZINC001209573841 814087114 /nfs/dbraw/zinc/08/71/14/814087114.db2.gz BMFQMIMFVYTNQC-SFHVURJKSA-N 2 1 297.446 3.277 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001209573841 814087122 /nfs/dbraw/zinc/08/71/22/814087122.db2.gz BMFQMIMFVYTNQC-SFHVURJKSA-N 2 1 297.446 3.277 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001209573841 814087131 /nfs/dbraw/zinc/08/71/31/814087131.db2.gz BMFQMIMFVYTNQC-SFHVURJKSA-N 2 1 297.446 3.277 20 0 CGADMP Nc1cc[nH+]cc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC001209731844 814124911 /nfs/dbraw/zinc/12/49/11/814124911.db2.gz VAGAUWUUFZRTLK-UHFFFAOYSA-N 2 1 299.393 3.088 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001209846702 814164191 /nfs/dbraw/zinc/16/41/91/814164191.db2.gz VRLKFZFCMYHWRQ-GFCCVEGCSA-N 2 1 264.438 3.016 20 0 CGADMP CNc1cc(Nc2ccc3c[nH+]ccc3c2)cc[nH+]1 ZINC001216334351 815788444 /nfs/dbraw/zinc/78/84/44/815788444.db2.gz AUHWYKNPFJQGGX-UHFFFAOYSA-N 2 1 250.305 3.415 20 0 CGADMP CCCCCCc1nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o1 ZINC001217752082 815953992 /nfs/dbraw/zinc/95/39/92/815953992.db2.gz LGZMPKPSCQWMEH-AWEZNQCLSA-N 2 1 296.459 3.361 20 0 CGADMP CC[C@@H](C)[C@@H](C)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218317500 816165112 /nfs/dbraw/zinc/16/51/12/816165112.db2.gz NRYIVHVKYXCDNV-HUUCEWRRSA-N 2 1 290.451 3.423 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222154477 816362833 /nfs/dbraw/zinc/36/28/33/816362833.db2.gz NMUUUZIJBRSPEF-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222154477 816362840 /nfs/dbraw/zinc/36/28/40/816362840.db2.gz NMUUUZIJBRSPEF-INIZCTEOSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ncc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)s1 ZINC001222162119 816366101 /nfs/dbraw/zinc/36/61/01/816366101.db2.gz YRJSVVHNHZSYCA-MRXNPFEDSA-N 2 1 293.480 3.197 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)s1 ZINC001222162119 816366111 /nfs/dbraw/zinc/36/61/11/816366111.db2.gz YRJSVVHNHZSYCA-MRXNPFEDSA-N 2 1 293.480 3.197 20 0 CGADMP CCC(=O)C(C)(C)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161441 816366537 /nfs/dbraw/zinc/36/65/37/816366537.db2.gz OLSYTWUHHVMYGU-SFHVURJKSA-N 2 1 294.483 3.238 20 0 CGADMP FC1(F)CCC(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001222232575 816380117 /nfs/dbraw/zinc/38/01/17/816380117.db2.gz WLSMHJVPJLYCJB-CQSZACIVSA-N 2 1 272.383 3.030 20 0 CGADMP Clc1cccc(CC[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222259394 816388739 /nfs/dbraw/zinc/38/87/39/816388739.db2.gz OTDSDPBYMVFUDK-KRWDZBQOSA-N 2 1 292.854 3.348 20 0 CGADMP Clc1cccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222259394 816388748 /nfs/dbraw/zinc/38/87/48/816388748.db2.gz OTDSDPBYMVFUDK-KRWDZBQOSA-N 2 1 292.854 3.348 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)[nH]1 ZINC001222265793 816391892 /nfs/dbraw/zinc/39/18/92/816391892.db2.gz ZDIBEDNRPTVCBQ-GOSISDBHSA-N 2 1 283.419 3.134 20 0 CGADMP Cn1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c2ccccc21 ZINC001222307998 816403825 /nfs/dbraw/zinc/40/38/25/816403825.db2.gz DQMBNYBJTFPPGQ-IBGZPJMESA-N 2 1 297.446 3.286 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222310290 816405118 /nfs/dbraw/zinc/40/51/18/816405118.db2.gz STIWYWKGIYKRIL-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)sc1C ZINC001222321546 816408441 /nfs/dbraw/zinc/40/84/41/816408441.db2.gz YOTGFWSEPPEYCS-MRXNPFEDSA-N 2 1 278.465 3.473 20 0 CGADMP c1ccn(-c2ccccc2C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222355268 816417842 /nfs/dbraw/zinc/41/78/42/816417842.db2.gz RIFACHOIPPBOHN-LJQANCHMSA-N 2 1 295.430 3.195 20 0 CGADMP c1ccn(-c2ccccc2C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222355268 816417850 /nfs/dbraw/zinc/41/78/50/816417850.db2.gz RIFACHOIPPBOHN-LJQANCHMSA-N 2 1 295.430 3.195 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465675 816451189 /nfs/dbraw/zinc/45/11/89/816451189.db2.gz XFMNDLILSSJJHO-PHDXLQKJSA-N 2 1 288.479 3.421 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465675 816451194 /nfs/dbraw/zinc/45/11/94/816451194.db2.gz XFMNDLILSSJJHO-PHDXLQKJSA-N 2 1 288.479 3.421 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465276 816451424 /nfs/dbraw/zinc/45/14/24/816451424.db2.gz MLKJUCLUERBOHU-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP c1ccc2c(c1)CCCC21CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC001222615428 816478822 /nfs/dbraw/zinc/47/88/22/816478822.db2.gz PYUMCCDZZLRYAB-GOSISDBHSA-N 2 1 298.474 3.499 20 0 CGADMP C[NH2+]Cc1cccc(-c2ccc(C[N@@H+](C)C3CC3)cn2)c1 ZINC001242996166 823203850 /nfs/dbraw/zinc/20/38/50/823203850.db2.gz IULRMIZQBWJGGT-UHFFFAOYSA-N 2 1 281.403 3.062 20 0 CGADMP C[NH+](C)CC[C@@H](O[C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001224133920 816738571 /nfs/dbraw/zinc/73/85/71/816738571.db2.gz OJUXHIVHOHIXFF-ZWKOTPCHSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)cc1C ZINC001231485018 818109206 /nfs/dbraw/zinc/10/92/06/818109206.db2.gz GLOUBXTZYJRWLZ-SJLPKXTDSA-N 2 1 272.436 3.138 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3SC)C[C@H]2C1 ZINC001231787552 818176736 /nfs/dbraw/zinc/17/67/36/818176736.db2.gz OIIVZIZXXDFEQX-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3SC)C[C@@H]2C1 ZINC001231787552 818176737 /nfs/dbraw/zinc/17/67/37/818176737.db2.gz OIIVZIZXXDFEQX-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3SC)C[C@@H]2C1 ZINC001231787552 818176740 /nfs/dbraw/zinc/17/67/40/818176740.db2.gz OIIVZIZXXDFEQX-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3SC)C[C@@H]2C1 ZINC001231787552 818176741 /nfs/dbraw/zinc/17/67/41/818176741.db2.gz OIIVZIZXXDFEQX-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3SC)C[C@@H]2C1 ZINC001231787552 818176742 /nfs/dbraw/zinc/17/67/42/818176742.db2.gz OIIVZIZXXDFEQX-IYBDPMFKSA-N 2 1 290.476 3.182 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001232012869 818233854 /nfs/dbraw/zinc/23/38/54/818233854.db2.gz VFHVUFDJJLWDKP-STQMWFEESA-N 2 1 255.365 3.185 20 0 CGADMP CC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C(C)C ZINC001232145641 818263297 /nfs/dbraw/zinc/26/32/97/818263297.db2.gz WJZHVBIUDNRHME-UHFFFAOYSA-N 2 1 252.377 3.118 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c(C)cccc1OC ZINC001232623289 818403656 /nfs/dbraw/zinc/40/36/56/818403656.db2.gz MVBOEUMYNRFQLJ-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)cccc1OC ZINC001232623289 818403661 /nfs/dbraw/zinc/40/36/61/818403661.db2.gz MVBOEUMYNRFQLJ-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2c1CCCC2 ZINC001232641088 818409829 /nfs/dbraw/zinc/40/98/29/818409829.db2.gz WIIWSHIBOOYYCW-UHFFFAOYSA-N 2 1 274.452 3.339 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccccc2-n2cccc2)CC1 ZINC001232908896 818469770 /nfs/dbraw/zinc/46/97/70/818469770.db2.gz ZLHUZWXZEIXDKK-UHFFFAOYSA-N 2 1 283.419 3.003 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2cccnc2s1 ZINC001233348227 818592701 /nfs/dbraw/zinc/59/27/01/818592701.db2.gz SOALLWAKOGLNJO-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2cccnc2s1 ZINC001233348227 818592707 /nfs/dbraw/zinc/59/27/07/818592707.db2.gz SOALLWAKOGLNJO-UHFFFAOYSA-N 2 1 289.448 3.214 20 0 CGADMP C[NH+](C)CC[C@@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001233748098 818696930 /nfs/dbraw/zinc/69/69/30/818696930.db2.gz FKXAALVCJLUQBB-QGZVFWFLSA-N 2 1 295.386 3.406 20 0 CGADMP Fc1ccc2occ(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001234991668 818969214 /nfs/dbraw/zinc/96/92/14/818969214.db2.gz HNPGQDDBBLJFBX-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2occ(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001234991668 818969219 /nfs/dbraw/zinc/96/92/19/818969219.db2.gz HNPGQDDBBLJFBX-KRWDZBQOSA-N 2 1 288.366 3.147 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234994624 818971503 /nfs/dbraw/zinc/97/15/03/818971503.db2.gz VAYQIVPDOLGTLO-SFHVURJKSA-N 2 1 272.436 3.215 20 0 CGADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994818 818972233 /nfs/dbraw/zinc/97/22/33/818972233.db2.gz SWKRYPIZDJGBRT-FUHWJXTLSA-N 2 1 296.499 3.029 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC001235007230 818978317 /nfs/dbraw/zinc/97/83/17/818978317.db2.gz KHZSWJONYAVDAO-DMKPSLHHSA-N 2 1 286.463 3.412 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001235032570 818984498 /nfs/dbraw/zinc/98/44/98/818984498.db2.gz RGLBLOHHUJMGQF-GDBMZVCRSA-N 2 1 252.446 3.134 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001235093139 818999039 /nfs/dbraw/zinc/99/90/39/818999039.db2.gz PPHDIPKJHKNBDH-JKSUJKDBSA-N 2 1 262.441 3.054 20 0 CGADMP CCc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Cl ZINC001235093175 818999060 /nfs/dbraw/zinc/99/90/60/818999060.db2.gz QAEBWJGZPMDVAY-UHFFFAOYSA-N 2 1 292.854 3.478 20 0 CGADMP CC(C)(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001235093910 818999665 /nfs/dbraw/zinc/99/96/65/818999665.db2.gz VGIUPLWXIIYLNC-UHFFFAOYSA-N 2 1 286.463 3.430 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091926 818999811 /nfs/dbraw/zinc/99/98/11/818999811.db2.gz FKDQOEIHCWXAIQ-UHFFFAOYSA-N 2 1 288.435 3.051 20 0 CGADMP c1ccc(CCCCC[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235102064 819002904 /nfs/dbraw/zinc/00/29/04/819002904.db2.gz LBCPRISFRZAHOI-UHFFFAOYSA-N 2 1 272.436 3.227 20 0 CGADMP CCc1cccc(C)c1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235128837 819013296 /nfs/dbraw/zinc/01/32/96/819013296.db2.gz HWVKRLADJVAFAO-SFHVURJKSA-N 2 1 272.436 3.275 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235128837 819013300 /nfs/dbraw/zinc/01/33/00/819013300.db2.gz HWVKRLADJVAFAO-SFHVURJKSA-N 2 1 272.436 3.275 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC23CC[NH2+]CC3)c(C)c1 ZINC001235141692 819015137 /nfs/dbraw/zinc/01/51/37/819015137.db2.gz WCJYBFBHHGOUFF-UHFFFAOYSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235154475 819018349 /nfs/dbraw/zinc/01/83/49/819018349.db2.gz LWVAHJAXERXKPU-GOSISDBHSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1csc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235151709 819018376 /nfs/dbraw/zinc/01/83/76/819018376.db2.gz AJXVVELHMAYMEY-MRXNPFEDSA-N 2 1 278.465 3.411 20 0 CGADMP Cc1cc(O)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235154957 819018627 /nfs/dbraw/zinc/01/86/27/819018627.db2.gz BVJDGEKDRLPEMG-GOSISDBHSA-N 2 1 288.435 3.055 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235157323 819019370 /nfs/dbraw/zinc/01/93/70/819019370.db2.gz ILSLIRHTYUGTQB-SFHVURJKSA-N 2 1 290.426 3.488 20 0 CGADMP CC(C)(C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1)Sc1ccc(Cl)cc1 ZINC001235210511 819037104 /nfs/dbraw/zinc/03/71/04/819037104.db2.gz LBXVEBVTLQMEQT-WDNDVIMCSA-N 2 1 296.867 3.100 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1(C)C ZINC001235210378 819037430 /nfs/dbraw/zinc/03/74/30/819037430.db2.gz ZMVNCKGIEOANNE-PMPSAXMXSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1(C)C ZINC001235210378 819037434 /nfs/dbraw/zinc/03/74/34/819037434.db2.gz ZMVNCKGIEOANNE-PMPSAXMXSA-N 2 1 262.441 3.053 20 0 CGADMP C[C@H](CC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)CC(C)(C)C ZINC001235210275 819037714 /nfs/dbraw/zinc/03/77/14/819037714.db2.gz VJOBDXVTABPJIL-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)CC(C)(C)C ZINC001235210275 819037721 /nfs/dbraw/zinc/03/77/21/819037721.db2.gz VJOBDXVTABPJIL-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP c1c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001235225879 819040797 /nfs/dbraw/zinc/04/07/97/819040797.db2.gz VYCFUHHYESHKBS-QWHCGFSZSA-N 2 1 276.449 3.016 20 0 CGADMP C[C@H](CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)CC(C)(C)C ZINC001235241572 819046187 /nfs/dbraw/zinc/04/61/87/819046187.db2.gz YCDGRLSJPCLSQF-IIAWOOMASA-N 2 1 252.446 3.262 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235245514 819046994 /nfs/dbraw/zinc/04/69/94/819046994.db2.gz QAFNQDXQHMEXFV-VQIMIIECSA-N 2 1 280.415 3.461 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1(C)C ZINC001235256006 819051479 /nfs/dbraw/zinc/05/14/79/819051479.db2.gz OTIPZVMRRNCAKO-ARFHVFGLSA-N 2 1 262.441 3.053 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1(C)C ZINC001235256006 819051482 /nfs/dbraw/zinc/05/14/82/819051482.db2.gz OTIPZVMRRNCAKO-ARFHVFGLSA-N 2 1 262.441 3.053 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235254155 819051544 /nfs/dbraw/zinc/05/15/44/819051544.db2.gz BCVPZEHRVANVMJ-WOJBJXKFSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235254155 819051548 /nfs/dbraw/zinc/05/15/48/819051548.db2.gz BCVPZEHRVANVMJ-WOJBJXKFSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc12 ZINC001235274034 819061108 /nfs/dbraw/zinc/06/11/08/819061108.db2.gz UAERYQSZRMQFER-LPHOPBHVSA-N 2 1 280.415 3.332 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccccc4Cl)cc3)C[C@@H]12 ZINC001235284264 819061363 /nfs/dbraw/zinc/06/13/63/819061363.db2.gz KHOSWSCCPUJFCC-ALXJQNPVSA-N 2 1 298.817 3.396 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235420652 819091656 /nfs/dbraw/zinc/09/16/56/819091656.db2.gz AGFKPHUEHBHBQI-CVEARBPZSA-N 2 1 290.426 3.346 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC001235429593 819094328 /nfs/dbraw/zinc/09/43/28/819094328.db2.gz ZFYMOJRWNRHCJT-IAGOWNOFSA-N 2 1 264.457 3.278 20 0 CGADMP C[C@@H](CC[N@@H+](C)CC1CC[NH2+]CC1)CC(C)(C)C ZINC001235433577 819096060 /nfs/dbraw/zinc/09/60/60/819096060.db2.gz BAQWLLGRCLAYQQ-AWEZNQCLSA-N 2 1 254.462 3.380 20 0 CGADMP C[N@H+](Cc1c(F)cc(F)cc1Cl)CC1CC[NH2+]CC1 ZINC001235432994 819096233 /nfs/dbraw/zinc/09/62/33/819096233.db2.gz CSPPXJULGVPAMS-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001235435263 819097679 /nfs/dbraw/zinc/09/76/79/819097679.db2.gz FXLGGABJSAAYBO-UHFFFAOYSA-N 2 1 278.783 3.381 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001235435263 819097682 /nfs/dbraw/zinc/09/76/82/819097682.db2.gz FXLGGABJSAAYBO-UHFFFAOYSA-N 2 1 278.783 3.381 20 0 CGADMP COc1ccc(-c2ccccc2)c(C[N@@H+](C)CCC[NH3+])c1 ZINC001235435676 819100389 /nfs/dbraw/zinc/10/03/89/819100389.db2.gz UKBQIMDIEQLOFM-UHFFFAOYSA-N 2 1 284.403 3.143 20 0 CGADMP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(C)c1OC(C)C ZINC001235467286 819106311 /nfs/dbraw/zinc/10/63/11/819106311.db2.gz XVIRJAHIRYAAAW-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235667219 819133290 /nfs/dbraw/zinc/13/32/90/819133290.db2.gz WGLJXGMUAIHZQE-QZTJIDSGSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1C ZINC001235673491 819133642 /nfs/dbraw/zinc/13/36/42/819133642.db2.gz AGQCCYSKZOIPHG-KRWDZBQOSA-N 2 1 274.452 3.399 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(Cl)c1 ZINC001235716886 819149879 /nfs/dbraw/zinc/14/98/79/819149879.db2.gz LJBWZNORZCOCPW-UHFFFAOYSA-N 2 1 280.843 3.470 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235715233 819150728 /nfs/dbraw/zinc/15/07/28/819150728.db2.gz OAHPWHRHUMQDJX-VQTJNVASSA-N 2 1 294.442 3.121 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235715233 819150733 /nfs/dbraw/zinc/15/07/33/819150733.db2.gz OAHPWHRHUMQDJX-VQTJNVASSA-N 2 1 294.442 3.121 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC001235748869 819160733 /nfs/dbraw/zinc/16/07/33/819160733.db2.gz DTJATHNUINSSTL-QGZVFWFLSA-N 2 1 280.415 3.443 20 0 CGADMP CC[N@@H+](Cc1cccc(C(C)C)c1)C1CC[NH2+]CC1 ZINC001235764920 819162957 /nfs/dbraw/zinc/16/29/57/819162957.db2.gz QQFBGNAIRPWYGJ-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)CC1(C)CC[NH2+]CC1 ZINC001235839014 819181636 /nfs/dbraw/zinc/18/16/36/819181636.db2.gz GUZJYUGKKCWMNJ-UHFFFAOYSA-N 2 1 280.843 3.204 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)Cc1cccc(C[NH3+])c1 ZINC001235839242 819182477 /nfs/dbraw/zinc/18/24/77/819182477.db2.gz OTVGTNDQSUUBCI-UHFFFAOYSA-N 2 1 288.822 3.473 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001235843556 819184338 /nfs/dbraw/zinc/18/43/38/819184338.db2.gz YTAYQMXYMFAJLE-QGZVFWFLSA-N 2 1 280.415 3.395 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235924995 819223589 /nfs/dbraw/zinc/22/35/89/819223589.db2.gz FARBQVHZZMCQSK-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235924995 819223597 /nfs/dbraw/zinc/22/35/97/819223597.db2.gz FARBQVHZZMCQSK-AWEZNQCLSA-N 2 1 286.341 3.327 20 0 CGADMP c1cc(-c2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)cs1 ZINC001235934651 819230709 /nfs/dbraw/zinc/23/07/09/819230709.db2.gz CHIFJVWHGCDSKT-FUHWJXTLSA-N 2 1 298.455 3.456 20 0 CGADMP Fc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235949511 819238856 /nfs/dbraw/zinc/23/88/56/819238856.db2.gz NEZAURKKTLYCRC-ZBFHGGJFSA-N 2 1 276.399 3.005 20 0 CGADMP C[C@H](CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1)CC(C)(C)C ZINC001235950664 819241667 /nfs/dbraw/zinc/24/16/67/819241667.db2.gz KYPKMDOAPGFIPU-HUUCEWRRSA-N 2 1 254.462 3.380 20 0 CGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950610 819242126 /nfs/dbraw/zinc/24/21/26/819242126.db2.gz INZBXURJYBTOPS-KMFMINBZSA-N 2 1 292.854 3.375 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc(C)c1Cl ZINC001235957452 819245323 /nfs/dbraw/zinc/24/53/23/819245323.db2.gz OOBDVBVHJMOKNO-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(C(F)(F)F)c1 ZINC001235958659 819246449 /nfs/dbraw/zinc/24/64/49/819246449.db2.gz AHVNWOLKBKZDIE-AGGWBTHJSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(C(F)(F)F)c1 ZINC001235958659 819246454 /nfs/dbraw/zinc/24/64/54/819246454.db2.gz AHVNWOLKBKZDIE-AGGWBTHJSA-N 2 1 298.352 3.183 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235958749 819246937 /nfs/dbraw/zinc/24/69/37/819246937.db2.gz DDTAWEDVVVXCKU-SCAQPMJSSA-N 2 1 288.435 3.033 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235959385 819247171 /nfs/dbraw/zinc/24/71/71/819247171.db2.gz PFIWTUZLPQVFDM-CQSZACIVSA-N 2 1 278.465 3.148 20 0 CGADMP c1csc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235973679 819255496 /nfs/dbraw/zinc/25/54/96/819255496.db2.gz IXRFQYVLIOWZSR-UHFFFAOYSA-N 2 1 298.455 3.385 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(C)c1C ZINC001235996919 819265600 /nfs/dbraw/zinc/26/56/00/819265600.db2.gz YROFFBZEQLLVGX-AEFFLSMTSA-N 2 1 272.436 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(C)c1C ZINC001235996919 819265603 /nfs/dbraw/zinc/26/56/03/819265603.db2.gz YROFFBZEQLLVGX-AEFFLSMTSA-N 2 1 272.436 3.152 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235996610 819266369 /nfs/dbraw/zinc/26/63/69/819266369.db2.gz YLBRZCZWZUSQFO-CRAIPNDOSA-N 2 1 266.388 3.071 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236044836 819282563 /nfs/dbraw/zinc/28/25/63/819282563.db2.gz AMLITGNTVQYKBY-CZUORRHYSA-N 2 1 268.404 3.317 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)c(OC(C)C)c(C)c2)C1 ZINC001236068433 819299651 /nfs/dbraw/zinc/29/96/51/819299651.db2.gz SQCWNBKHNXOKMX-INIZCTEOSA-N 2 1 290.451 3.132 20 0 CGADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001236085734 819308200 /nfs/dbraw/zinc/30/82/00/819308200.db2.gz VJTQREFHEUAIFX-HNNXBMFYSA-N 2 1 272.436 3.170 20 0 CGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCCCC[NH3+])C2)cc1 ZINC001236093641 819312170 /nfs/dbraw/zinc/31/21/70/819312170.db2.gz VLAQYKGNCNZYOB-KRWDZBQOSA-N 2 1 290.451 3.079 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCC[NH3+])c2ccccc12 ZINC001236141539 819341855 /nfs/dbraw/zinc/34/18/55/819341855.db2.gz HWVNNSQBRLJVCL-UHFFFAOYSA-N 2 1 256.393 3.319 20 0 CGADMP CC[N@H+](CC[NH3+])Cc1ccccc1-c1ccc(F)cc1 ZINC001236143469 819343577 /nfs/dbraw/zinc/34/35/77/819343577.db2.gz JTKOSMUCQPNXKL-UHFFFAOYSA-N 2 1 272.367 3.273 20 0 CGADMP CC[N@@H+](CC[NH3+])Cc1ccccc1-c1ccc(F)cc1 ZINC001236143469 819343581 /nfs/dbraw/zinc/34/35/81/819343581.db2.gz JTKOSMUCQPNXKL-UHFFFAOYSA-N 2 1 272.367 3.273 20 0 CGADMP CCC[N@@H+](C[C@H](C)OCc1ccccc1)C1CC[NH2+]CC1 ZINC001236180130 819357814 /nfs/dbraw/zinc/35/78/14/819357814.db2.gz BDRYEFCVCGNTAL-INIZCTEOSA-N 2 1 290.451 3.056 20 0 CGADMP CCC[N@H+](Cc1ccc(OCC)cc1F)C1CC[NH2+]CC1 ZINC001236185171 819359291 /nfs/dbraw/zinc/35/92/91/819359291.db2.gz ZBJRRLLSSVHMPX-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP CCC[N@@H+](Cc1ccc(OCC)cc1F)C1CC[NH2+]CC1 ZINC001236185171 819359299 /nfs/dbraw/zinc/35/92/99/819359299.db2.gz ZBJRRLLSSVHMPX-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccc2ccccc2c1 ZINC001236184441 819359474 /nfs/dbraw/zinc/35/94/74/819359474.db2.gz QTVVZASBDDKRLK-SFHVURJKSA-N 2 1 298.430 3.386 20 0 CGADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccc2ccccc2c1 ZINC001236184441 819359478 /nfs/dbraw/zinc/35/94/78/819359478.db2.gz QTVVZASBDDKRLK-SFHVURJKSA-N 2 1 298.430 3.386 20 0 CGADMP C[N@H+](Cc1ccc(O)c2ccccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236207362 819370231 /nfs/dbraw/zinc/37/02/31/819370231.db2.gz NJSXAYXRSZYRMM-SFHVURJKSA-N 2 1 284.403 3.119 20 0 CGADMP C[N@@H+](Cc1ccc(O)c2ccccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236207362 819370241 /nfs/dbraw/zinc/37/02/41/819370241.db2.gz NJSXAYXRSZYRMM-SFHVURJKSA-N 2 1 284.403 3.119 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210275 819371394 /nfs/dbraw/zinc/37/13/94/819371394.db2.gz AKRRRXHJEWYQIQ-IRXDYDNUSA-N 2 1 276.424 3.177 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210275 819371396 /nfs/dbraw/zinc/37/13/96/819371396.db2.gz AKRRRXHJEWYQIQ-IRXDYDNUSA-N 2 1 276.424 3.177 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC001236217594 819381845 /nfs/dbraw/zinc/38/18/45/819381845.db2.gz PJHCJEQKLLANHC-ZIAGYGMSSA-N 2 1 252.427 3.012 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC001236217594 819381847 /nfs/dbraw/zinc/38/18/47/819381847.db2.gz PJHCJEQKLLANHC-ZIAGYGMSSA-N 2 1 252.427 3.012 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236220909 819388145 /nfs/dbraw/zinc/38/81/45/819388145.db2.gz ADJCZNDBRWTNFQ-WKILWMFISA-N 2 1 294.414 3.316 20 0 CGADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1cccc(F)c1F ZINC001236242166 819401334 /nfs/dbraw/zinc/40/13/34/819401334.db2.gz XSDMYNHGTDMBGG-UHFFFAOYSA-N 2 1 288.341 3.200 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1cccc(F)c1F ZINC001236242166 819401337 /nfs/dbraw/zinc/40/13/37/819401337.db2.gz XSDMYNHGTDMBGG-UHFFFAOYSA-N 2 1 288.341 3.200 20 0 CGADMP CC(C)(C)c1cccc(C[NH+]2CCC[NH2+]CCC2)c1 ZINC001236241250 819401425 /nfs/dbraw/zinc/40/14/25/819401425.db2.gz WZHHQAPLXIIOIX-UHFFFAOYSA-N 2 1 260.425 3.170 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236245308 819403072 /nfs/dbraw/zinc/40/30/72/819403072.db2.gz SJIFBFRPPBRGSC-ZBFHGGJFSA-N 2 1 296.405 3.308 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236245308 819403076 /nfs/dbraw/zinc/40/30/76/819403076.db2.gz SJIFBFRPPBRGSC-ZBFHGGJFSA-N 2 1 296.405 3.308 20 0 CGADMP CC[N@H+](CCc1ccc(OC)cc1)CC[C@H]1CCCC[NH2+]1 ZINC001236303373 819417220 /nfs/dbraw/zinc/41/72/20/819417220.db2.gz QHCJCYYCPIDIBC-QGZVFWFLSA-N 2 1 290.451 3.092 20 0 CGADMP Clc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236314149 819420577 /nfs/dbraw/zinc/42/05/77/819420577.db2.gz HWHWQVXLUJNERN-TXEJJXNPSA-N 2 1 299.245 3.425 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314142 819420706 /nfs/dbraw/zinc/42/07/06/819420706.db2.gz HLZBTQBVLBCIQO-HRCADAONSA-N 2 1 252.446 3.134 20 0 CGADMP c1sc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320581 819424375 /nfs/dbraw/zinc/42/43/75/819424375.db2.gz QVPVONJQJVLDNY-OKILXGFUSA-N 2 1 286.444 3.333 20 0 CGADMP COCC[N@H+](CC[C@@H](C)CCC=C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236328278 819427072 /nfs/dbraw/zinc/42/70/72/819427072.db2.gz OGPRFASRVUPXGQ-ROUUACIJSA-N 2 1 296.499 3.459 20 0 CGADMP COCC[N@@H+](CC[C@@H](C)CCC=C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236328278 819427077 /nfs/dbraw/zinc/42/70/77/819427077.db2.gz OGPRFASRVUPXGQ-ROUUACIJSA-N 2 1 296.499 3.459 20 0 CGADMP CC[C@@H](C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236370360 819439160 /nfs/dbraw/zinc/43/91/60/819439160.db2.gz DRIIPMBVPMOMDP-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401585 819451501 /nfs/dbraw/zinc/45/15/01/819451501.db2.gz PGKFJCJFDZUGHV-ZFWWWQNUSA-N 2 1 276.399 3.036 20 0 CGADMP CC[N@H+](Cc1cc(Cl)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236410409 819457476 /nfs/dbraw/zinc/45/74/76/819457476.db2.gz ZWOAWLVTSALTBW-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](Cc1cccc(C)c1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236409846 819457665 /nfs/dbraw/zinc/45/76/65/819457665.db2.gz XRHOQOCJOCWGDV-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+](Cc1cccc(C)c1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236409846 819457668 /nfs/dbraw/zinc/45/76/68/819457668.db2.gz XRHOQOCJOCWGDV-MRXNPFEDSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+](Cc1c(C)cc(Cl)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236411658 819458137 /nfs/dbraw/zinc/45/81/37/819458137.db2.gz NTMPBGGHRQEFPA-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP CC[N@H+](Cc1ccc(C2CCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236412485 819458976 /nfs/dbraw/zinc/45/89/76/819458976.db2.gz VLUGVBNEHBGAFG-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001236414641 819460127 /nfs/dbraw/zinc/46/01/27/819460127.db2.gz LOUGRWIIUVDVJE-AEFFLSMTSA-N 2 1 290.451 3.185 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001236414641 819460129 /nfs/dbraw/zinc/46/01/29/819460129.db2.gz LOUGRWIIUVDVJE-AEFFLSMTSA-N 2 1 290.451 3.185 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236415553 819460765 /nfs/dbraw/zinc/46/07/65/819460765.db2.gz OOUOCGKFBGWPRQ-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236415553 819460766 /nfs/dbraw/zinc/46/07/66/819460766.db2.gz OOUOCGKFBGWPRQ-RHSMWYFYSA-N 2 1 260.425 3.164 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236417629 819464036 /nfs/dbraw/zinc/46/40/36/819464036.db2.gz CKFKHXJAZLHFHH-KSSFIOAISA-N 2 1 268.404 3.460 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@](F)(C[NH3+])C2)cc1 ZINC001236433716 819476961 /nfs/dbraw/zinc/47/69/61/819476961.db2.gz HNTRPXOTVMTWJT-YJBOKZPZSA-N 2 1 292.442 3.361 20 0 CGADMP CCC[C@H](C)C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551712 819535437 /nfs/dbraw/zinc/53/54/37/819535437.db2.gz LDBKGNHUCXZYKE-BPUTZDHNSA-N 2 1 252.446 3.405 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c21 ZINC001236597232 819547087 /nfs/dbraw/zinc/54/70/87/819547087.db2.gz ABPHBJZSXHOQTA-OAHLLOKOSA-N 2 1 297.446 3.440 20 0 CGADMP c1cc2cc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CC3)ccc2o1 ZINC001236597714 819548524 /nfs/dbraw/zinc/54/85/24/819548524.db2.gz CWFRJAMPXGBUNB-HNNXBMFYSA-N 2 1 284.403 3.397 20 0 CGADMP Cc1c(F)cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236600759 819548588 /nfs/dbraw/zinc/54/85/88/819548588.db2.gz JALHUEXZLATWFB-ZDUSSCGKSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1c(F)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236600759 819548593 /nfs/dbraw/zinc/54/85/93/819548593.db2.gz JALHUEXZLATWFB-ZDUSSCGKSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](Cc1cccc(C[NH3+])c1)C2 ZINC001236606235 819551024 /nfs/dbraw/zinc/55/10/24/819551024.db2.gz SAFCEDUGZULBBP-UHFFFAOYSA-N 2 1 266.388 3.012 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636385 819556082 /nfs/dbraw/zinc/55/60/82/819556082.db2.gz FDFDAXQJNALNEN-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236818910 819606703 /nfs/dbraw/zinc/60/67/03/819606703.db2.gz KTXUODXKNKEIOQ-QEJZJMRPSA-N 2 1 286.444 3.379 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236826390 819607328 /nfs/dbraw/zinc/60/73/28/819607328.db2.gz CMPIFGZNDWTFKO-LEWSCRJBSA-N 2 1 296.867 3.231 20 0 CGADMP CCC[N@@H+](CCCC1CCCC1)C[C@H]1CC[NH2+]C1 ZINC001236833730 819613020 /nfs/dbraw/zinc/61/30/20/819613020.db2.gz ZOGXGRIDEHYPSX-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CCC[N@H+](Cc1ccc(O)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236833479 819613462 /nfs/dbraw/zinc/61/34/62/819613462.db2.gz CBVBPDATHWALQR-HNNXBMFYSA-N 2 1 298.430 3.367 20 0 CGADMP CCCc1ccc(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236836974 819616898 /nfs/dbraw/zinc/61/68/98/819616898.db2.gz ZTXUFAWVDRYUJP-GOSISDBHSA-N 2 1 274.452 3.461 20 0 CGADMP CCC[N@H+](Cc1cc(OCC)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236843258 819618694 /nfs/dbraw/zinc/61/86/94/819618694.db2.gz GHKYSTAYXAKMQX-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP CCC[N@H+](Cc1cc(Cl)cc(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236841905 819618989 /nfs/dbraw/zinc/61/89/89/819618989.db2.gz ASSXBEBGLBTGBT-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cc(F)cc(F)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236842588 819619292 /nfs/dbraw/zinc/61/92/92/819619292.db2.gz FTUNYRBULKIEQO-CYBMUJFWSA-N 2 1 282.378 3.095 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1OCC)C[C@H]1CC[NH2+]C1 ZINC001236844851 819619925 /nfs/dbraw/zinc/61/99/25/819619925.db2.gz WLLKNZUKMBYNBI-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP CCC[N@@H+](Cc1cccc(OC)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236845064 819620253 /nfs/dbraw/zinc/62/02/53/819620253.db2.gz YMKYULMKIDJFEI-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cccc(OC)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236845064 819620256 /nfs/dbraw/zinc/62/02/56/819620256.db2.gz YMKYULMKIDJFEI-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237379945 819738227 /nfs/dbraw/zinc/73/82/27/819738227.db2.gz DWUGXATUXGORTH-RBUKOAKNSA-N 2 1 280.415 3.414 20 0 CGADMP Clc1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384369 819739998 /nfs/dbraw/zinc/73/99/98/819739998.db2.gz VVJWPQFCXFGDJL-NVXWUHKLSA-N 2 1 292.854 3.347 20 0 CGADMP Cc1ccnc2cccc(C[NH+]3CCC([NH+](C)C)CC3)c12 ZINC001237624616 819788772 /nfs/dbraw/zinc/78/87/72/819788772.db2.gz WMZUDTSEWOUTBA-UHFFFAOYSA-N 2 1 283.419 3.069 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+](C)C3CC[NH+](C)CC3)c12 ZINC001237623811 819788779 /nfs/dbraw/zinc/78/87/79/819788779.db2.gz LBBUYRZGTCMOLB-UHFFFAOYSA-N 2 1 283.419 3.069 20 0 CGADMP Cc1ccnc2cccc(C[N@H+](C)C3CC[NH+](C)CC3)c12 ZINC001237623811 819788782 /nfs/dbraw/zinc/78/87/82/819788782.db2.gz LBBUYRZGTCMOLB-UHFFFAOYSA-N 2 1 283.419 3.069 20 0 CGADMP CCOc1cc(C[N@H+](CC)CCC[NH+](C)C)ccc1C ZINC001238073236 819925546 /nfs/dbraw/zinc/92/55/46/819925546.db2.gz DJQFKNCHGZNVSP-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP CCOc1cc(C[N@@H+](CC)CCC[NH+](C)C)ccc1C ZINC001238073236 819925551 /nfs/dbraw/zinc/92/55/51/819925551.db2.gz DJQFKNCHGZNVSP-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC12CCCCC2 ZINC001238107807 819935359 /nfs/dbraw/zinc/93/53/59/819935359.db2.gz RWKPNYPCEFPJNY-UHFFFAOYSA-N 2 1 255.365 3.243 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC12CCCCC2 ZINC001238107807 819935365 /nfs/dbraw/zinc/93/53/65/819935365.db2.gz RWKPNYPCEFPJNY-UHFFFAOYSA-N 2 1 255.365 3.243 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(F)c(C2CC2)c1 ZINC001238503812 820028423 /nfs/dbraw/zinc/02/84/23/820028423.db2.gz OUAKVWMQIVPCHY-UHFFFAOYSA-N 2 1 264.388 3.087 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(F)c(C2CC2)c1 ZINC001238503812 820028433 /nfs/dbraw/zinc/02/84/33/820028433.db2.gz OUAKVWMQIVPCHY-UHFFFAOYSA-N 2 1 264.388 3.087 20 0 CGADMP COc1cc(C)c(C)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001238761348 820109477 /nfs/dbraw/zinc/10/94/77/820109477.db2.gz CJSLZPDVFAEMPA-UHFFFAOYSA-N 2 1 290.451 3.086 20 0 CGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(C2=CCC[NH2+]CC2)nc1 ZINC001238940018 820161225 /nfs/dbraw/zinc/16/12/25/820161225.db2.gz HPWAAESZFQFNEX-GOSISDBHSA-N 2 1 285.435 3.395 20 0 CGADMP C[NH+]1CCC(c2ccc(-c3cc[nH+]c(N)c3)cc2)CC1 ZINC001241175864 821618785 /nfs/dbraw/zinc/61/87/85/821618785.db2.gz OQFOGXCJDBZQQX-UHFFFAOYSA-N 2 1 267.376 3.140 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1[C@@H](C)[NH3+] ZINC001241258023 821677891 /nfs/dbraw/zinc/67/78/91/821677891.db2.gz RZOWLSSSFOVGAJ-GFCCVEGCSA-N 2 1 255.365 3.143 20 0 CGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(C2=CC[NH+](C)CC2)nc1 ZINC001241317433 821727789 /nfs/dbraw/zinc/72/77/89/821727789.db2.gz OTYYQWXXCZVRNY-GOSISDBHSA-N 2 1 285.435 3.347 20 0 CGADMP CC[NH+]1CCCC[C@@H]1c1ccc(C2=CC[N@H+](C)CC2)nc1 ZINC001241317433 821727791 /nfs/dbraw/zinc/72/77/91/821727791.db2.gz OTYYQWXXCZVRNY-GOSISDBHSA-N 2 1 285.435 3.347 20 0 CGADMP CC[NH+]1CCCC[C@@H]1c1ccc(C2=CC[N@@H+](C)CC2)nc1 ZINC001241317433 821727792 /nfs/dbraw/zinc/72/77/92/821727792.db2.gz OTYYQWXXCZVRNY-GOSISDBHSA-N 2 1 285.435 3.347 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001242090125 822346277 /nfs/dbraw/zinc/34/62/77/822346277.db2.gz NDAYIHZVYBHPPU-UHFFFAOYSA-N 2 1 267.376 3.235 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC001343497069 936503962 /nfs/dbraw/zinc/50/39/62/936503962.db2.gz UIZIMEYDFDXSLS-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001348515931 936924435 /nfs/dbraw/zinc/92/44/35/936924435.db2.gz QWIAKWBVNVKORW-SECBINFHSA-N 2 1 294.748 3.446 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC001350144366 936980623 /nfs/dbraw/zinc/98/06/23/936980623.db2.gz DBSUGCFKXVFBRA-FZKCQIBNSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001350399619 936990846 /nfs/dbraw/zinc/99/08/46/936990846.db2.gz XDKWXMNSBBVMNK-DLBZAZTESA-N 2 1 272.436 3.440 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC001351288901 937013964 /nfs/dbraw/zinc/01/39/64/937013964.db2.gz RMKAPVIBBHAEPM-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC001351288901 937013966 /nfs/dbraw/zinc/01/39/66/937013966.db2.gz RMKAPVIBBHAEPM-JSGCOSHPSA-N 2 1 293.842 3.044 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2C[C@@]2(C)CCC[NH2+]C2)c1 ZINC001352788310 937049611 /nfs/dbraw/zinc/04/96/11/937049611.db2.gz OKIMXNZZRJNNGJ-MSOLQXFVSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C(C)(C)C)CC1 ZINC000150152469 937220848 /nfs/dbraw/zinc/22/08/48/937220848.db2.gz HGZZISQFWKDWLQ-UHFFFAOYSA-N 2 1 260.425 3.381 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001308555034 928532711 /nfs/dbraw/zinc/53/27/11/928532711.db2.gz UHRNGXROPWNZQP-ZHCJQAHYSA-N 2 1 264.457 3.133 20 0 CGADMP COCC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001459541108 937490880 /nfs/dbraw/zinc/49/08/80/937490880.db2.gz KGIBUEVJGUJDMH-SJLPKXTDSA-N 2 1 290.451 3.038 20 0 CGADMP COCC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001459541108 937490883 /nfs/dbraw/zinc/49/08/83/937490883.db2.gz KGIBUEVJGUJDMH-SJLPKXTDSA-N 2 1 290.451 3.038 20 0 CGADMP COCC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001459541108 937490886 /nfs/dbraw/zinc/49/08/86/937490886.db2.gz KGIBUEVJGUJDMH-SJLPKXTDSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001474139555 937841665 /nfs/dbraw/zinc/84/16/65/937841665.db2.gz LZMMYGZIAOSLPN-DZKIICNBSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCCC[C@H](O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC001460577208 937535322 /nfs/dbraw/zinc/53/53/22/937535322.db2.gz KXXQCFONFQMJIQ-INIZCTEOSA-N 2 1 284.488 3.124 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(C)c1 ZINC001461617007 937588494 /nfs/dbraw/zinc/58/84/94/937588494.db2.gz IEUBVKIPJVFDQZ-UHFFFAOYSA-N 2 1 292.467 3.461 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)[C@@H]2C1 ZINC001461826090 937599834 /nfs/dbraw/zinc/59/98/34/937599834.db2.gz CXHXFGDHBBQRMM-NLNMYJFZSA-N 2 1 299.462 3.038 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC001461832098 937600623 /nfs/dbraw/zinc/60/06/23/937600623.db2.gz RXBRAYRBPCYRMV-CADBVGFASA-N 2 1 286.463 3.356 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001462302724 937631155 /nfs/dbraw/zinc/63/11/55/937631155.db2.gz AWDPIPHFFSTZJV-XHSDSOJGSA-N 2 1 284.488 3.289 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001462302724 937631158 /nfs/dbraw/zinc/63/11/58/937631158.db2.gz AWDPIPHFFSTZJV-XHSDSOJGSA-N 2 1 284.488 3.289 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC001462423977 937639821 /nfs/dbraw/zinc/63/98/21/937639821.db2.gz CDLRYVUZZGJMJB-KRWDZBQOSA-N 2 1 274.452 3.308 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC001462423977 937639825 /nfs/dbraw/zinc/63/98/25/937639825.db2.gz CDLRYVUZZGJMJB-KRWDZBQOSA-N 2 1 274.452 3.308 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001307733918 932993910 /nfs/dbraw/zinc/99/39/10/932993910.db2.gz HNGVBTAQGHNGAY-RWQQGDIJSA-N 2 1 286.463 3.485 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307733918 932993914 /nfs/dbraw/zinc/99/39/14/932993914.db2.gz HNGVBTAQGHNGAY-RWQQGDIJSA-N 2 1 286.463 3.485 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307733918 932993915 /nfs/dbraw/zinc/99/39/15/932993915.db2.gz HNGVBTAQGHNGAY-RWQQGDIJSA-N 2 1 286.463 3.485 20 0 CGADMP C[C@@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC001307874928 933011843 /nfs/dbraw/zinc/01/18/43/933011843.db2.gz DTFGRCQJYCPVDQ-HNNXBMFYSA-N 2 1 275.440 3.276 20 0 CGADMP CCO[C@@H](C[NH2+][C@H](C)CCC1CCCCC1)C[NH+](C)C ZINC001462575234 937651601 /nfs/dbraw/zinc/65/16/01/937651601.db2.gz YWZIZFSJRKDKQD-WBVHZDCISA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CCN1c1cc[nH+]cc1 ZINC001308041406 933038683 /nfs/dbraw/zinc/03/86/83/933038683.db2.gz SRTOQTDGMPSSKK-HNNXBMFYSA-N 2 1 287.451 3.418 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC001308231761 933077552 /nfs/dbraw/zinc/07/75/52/933077552.db2.gz LWMIHBWZWYIORP-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ncsc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001308360614 933101556 /nfs/dbraw/zinc/10/15/56/933101556.db2.gz OTLVHFBCXRZPMO-UHFFFAOYSA-N 2 1 293.480 3.196 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001462673648 937659284 /nfs/dbraw/zinc/65/92/84/937659284.db2.gz XULMIXQNDNLSES-LJIZCISZSA-N 2 1 264.457 3.131 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC001308554606 933131657 /nfs/dbraw/zinc/13/16/57/933131657.db2.gz QBYFWOIVAOUASE-ARFHVFGLSA-N 2 1 264.457 3.133 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC(CC)(CC)C2)CC1 ZINC001308630129 933146377 /nfs/dbraw/zinc/14/63/77/933146377.db2.gz WWVUFVFOLMFEQL-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001308870116 933193903 /nfs/dbraw/zinc/19/39/03/933193903.db2.gz WCZOILNJSMMOSX-NCOADZHNSA-N 2 1 276.468 3.419 20 0 CGADMP C([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001308870116 933193905 /nfs/dbraw/zinc/19/39/05/933193905.db2.gz WCZOILNJSMMOSX-NCOADZHNSA-N 2 1 276.468 3.419 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308983615 933221196 /nfs/dbraw/zinc/22/11/96/933221196.db2.gz GFDZIALCOZCHDX-FIDHJVLJSA-N 2 1 266.473 3.377 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[C@H]2C1 ZINC001308985244 933223138 /nfs/dbraw/zinc/22/31/38/933223138.db2.gz YQKWLMBMUYYLNK-RFSXOUPVSA-N 2 1 276.468 3.275 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001320290210 934024657 /nfs/dbraw/zinc/02/46/57/934024657.db2.gz UMIXNWKZSHPQDA-ZTFGCOKTSA-N 2 1 290.451 3.176 20 0 CGADMP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc2ccccc12 ZINC001322045436 934233663 /nfs/dbraw/zinc/23/36/63/934233663.db2.gz PQNBSOXAFRKSJH-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC001322626369 934321075 /nfs/dbraw/zinc/32/10/75/934321075.db2.gz OMOKXFAZSYZWAA-NWINJMCUSA-N 2 1 274.399 3.273 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)cc2)[C@H](C)C1 ZINC001323567590 934408876 /nfs/dbraw/zinc/40/88/76/934408876.db2.gz LZFOJGNSUNMCHE-PBHICJAKSA-N 2 1 278.415 3.030 20 0 CGADMP Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001325014778 934882450 /nfs/dbraw/zinc/88/24/50/934882450.db2.gz ISLTVBANGGQOOS-UHFFFAOYSA-N 2 1 295.430 3.411 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCc3c1cccc3F)CC2 ZINC001325223850 934896872 /nfs/dbraw/zinc/89/68/72/934896872.db2.gz UKUCQPGQEAMLNR-QGZVFWFLSA-N 2 1 288.410 3.373 20 0 CGADMP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCc3c1cccc3F)CC2 ZINC001325223850 934896876 /nfs/dbraw/zinc/89/68/76/934896876.db2.gz UKUCQPGQEAMLNR-QGZVFWFLSA-N 2 1 288.410 3.373 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCC1CCCC1 ZINC001473557802 937810763 /nfs/dbraw/zinc/81/07/63/937810763.db2.gz IJPIGEYQGBFXHU-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC001325724485 934924494 /nfs/dbraw/zinc/92/44/94/934924494.db2.gz WXWGZBOBVBVUMY-XHDPSFHLSA-N 2 1 270.367 3.250 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC001325743595 934926165 /nfs/dbraw/zinc/92/61/65/934926165.db2.gz PMOQGLZTMNAAER-ZJUUUORDSA-N 2 1 258.768 3.128 20 0 CGADMP Clc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC001326278449 934965311 /nfs/dbraw/zinc/96/53/11/934965311.db2.gz WEEKPKZRNNQMQO-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001473717488 937818865 /nfs/dbraw/zinc/81/88/65/937818865.db2.gz XOUHEMJAJSEWGA-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001328413290 935136034 /nfs/dbraw/zinc/13/60/34/935136034.db2.gz XJZHJWPVJZLPDY-UHFFFAOYSA-N 2 1 295.430 3.200 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001328687692 935159035 /nfs/dbraw/zinc/15/90/35/935159035.db2.gz BLUTXXPUPMJSMS-OAHLLOKOSA-N 2 1 260.425 3.266 20 0 CGADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328764601 935167717 /nfs/dbraw/zinc/16/77/17/935167717.db2.gz OMJOAERUURJCCX-MGPQQGTHSA-N 2 1 296.480 3.023 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC001329025134 935180089 /nfs/dbraw/zinc/18/00/89/935180089.db2.gz ZCBSEVFWXCALGO-DOMZBBRYSA-N 2 1 296.842 3.450 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC001332362397 935462146 /nfs/dbraw/zinc/46/21/46/935462146.db2.gz WSZYDWSBKURKRM-HIFRSBDPSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cccnc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001332999708 935503308 /nfs/dbraw/zinc/50/33/08/935503308.db2.gz GTRALPOJYZGAHB-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001333651338 935555786 /nfs/dbraw/zinc/55/57/86/935555786.db2.gz UNAPPYMLPMXOQO-LNRIEFBSSA-N 2 1 288.435 3.361 20 0 CGADMP CSc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001333841116 936070578 /nfs/dbraw/zinc/07/05/78/936070578.db2.gz KOVMLXLXADXWDQ-MJBXVCDLSA-N 2 1 294.464 3.164 20 0 CGADMP C[C@H](C[NH2+]CCCC(F)(F)F)[N@@H+]1CCCC[C@H]1C ZINC001334152708 936087043 /nfs/dbraw/zinc/08/70/43/936087043.db2.gz AXLKXSHMSCNHPN-VXGBXAGGSA-N 2 1 266.351 3.181 20 0 CGADMP C[C@H](C[NH2+]CCCC(F)(F)F)[N@H+]1CCCC[C@H]1C ZINC001334152708 936087048 /nfs/dbraw/zinc/08/70/48/936087048.db2.gz AXLKXSHMSCNHPN-VXGBXAGGSA-N 2 1 266.351 3.181 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CCc3ccc(F)cc3)C2)CC1 ZINC001334287763 936095356 /nfs/dbraw/zinc/09/53/56/936095356.db2.gz PGCPOEXEWWWRDT-KRWDZBQOSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2C1 ZINC001336887591 936225479 /nfs/dbraw/zinc/22/54/79/936225479.db2.gz DDZPNTHADOSKFC-RCCFBDPRSA-N 2 1 297.446 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=CC12CCCCC2 ZINC001473897436 937828112 /nfs/dbraw/zinc/82/81/12/937828112.db2.gz MXGDVMCEGOXGJG-UHFFFAOYSA-N 2 1 259.397 3.156 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC=CC12CCCCC2 ZINC001473897436 937828113 /nfs/dbraw/zinc/82/81/13/937828113.db2.gz MXGDVMCEGOXGJG-UHFFFAOYSA-N 2 1 259.397 3.156 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(C)c(C)cc3o2)C1 ZINC001473939711 937831470 /nfs/dbraw/zinc/83/14/70/937831470.db2.gz UJQYRVDBEJPTBJ-HNNXBMFYSA-N 2 1 286.419 3.481 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(C)c(C)cc3o2)C1 ZINC001473939711 937831472 /nfs/dbraw/zinc/83/14/72/937831472.db2.gz UJQYRVDBEJPTBJ-HNNXBMFYSA-N 2 1 286.419 3.481 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001473952639 937832021 /nfs/dbraw/zinc/83/20/21/937832021.db2.gz LFGFHHVTKISGTL-WNRNVDISSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001474139555 937841663 /nfs/dbraw/zinc/84/16/63/937841663.db2.gz LZMMYGZIAOSLPN-DZKIICNBSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C/C=C/c1ccccc1 ZINC001474199680 937843826 /nfs/dbraw/zinc/84/38/26/937843826.db2.gz KFHCAZGEYQANAI-YRNVUSSQSA-N 2 1 260.425 3.267 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1C[C@H]1C1CCCC1 ZINC001474301374 937849245 /nfs/dbraw/zinc/84/92/45/937849245.db2.gz KEENPBGIZAKXSO-QZWWFDLISA-N 2 1 262.441 3.029 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001474301334 937849372 /nfs/dbraw/zinc/84/93/72/937849372.db2.gz JRZXSLBURKFRBS-GOEBONIOSA-N 2 1 273.424 3.064 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2C2CCCC2)CC1(C)C ZINC001474301186 937849569 /nfs/dbraw/zinc/84/95/69/937849569.db2.gz HAPUONJDIMMIHC-OWCLPIDISA-N 2 1 264.457 3.275 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001474302057 937849845 /nfs/dbraw/zinc/84/98/45/937849845.db2.gz RWKYEXBFGRTYNE-DSIITGHMSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccccc1[C@@]1(F)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001474473940 937861833 /nfs/dbraw/zinc/86/18/33/937861833.db2.gz GIXDDVGMZUUQSS-GOSISDBHSA-N 2 1 290.426 3.207 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)nc2c1CCCC2 ZINC001474501061 937863257 /nfs/dbraw/zinc/86/32/57/937863257.db2.gz OSQIAVOAPSPKLW-UHFFFAOYSA-N 2 1 289.467 3.042 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)nc2c1CCCC2 ZINC001474501061 937863258 /nfs/dbraw/zinc/86/32/58/937863258.db2.gz OSQIAVOAPSPKLW-UHFFFAOYSA-N 2 1 289.467 3.042 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001549037195 938154529 /nfs/dbraw/zinc/15/45/29/938154529.db2.gz VJBHSUIEAIAJFS-UBDQQSCGSA-N 2 1 272.436 3.110 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001549039163 938154562 /nfs/dbraw/zinc/15/45/62/938154562.db2.gz RKZPRVMMNMYNCD-MKXGPGLRSA-N 2 1 284.447 3.112 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001549034291 938154573 /nfs/dbraw/zinc/15/45/73/938154573.db2.gz NQVHNIIHEFBTGN-DDBAPUKQSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H](c2ccccc2)C1(C)C)c1c[nH+]ccc1N ZINC001549711811 938158899 /nfs/dbraw/zinc/15/88/99/938158899.db2.gz RENGAMTUXBWKNW-AFAVFJNCSA-N 2 1 281.403 3.337 20 0 CGADMP [NH3+][C@H]1CC[C@H](C[N@H+]2CCCC3(CCCC3)CC2)C1 ZINC001550350631 938166170 /nfs/dbraw/zinc/16/61/70/938166170.db2.gz YERGUCVLSYEBRJ-GJZGRUSLSA-N 2 1 250.430 3.160 20 0 CGADMP CC[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552080781 938189986 /nfs/dbraw/zinc/18/99/86/938189986.db2.gz CVDHWPSONKPZEL-DZUCGIPZSA-N 2 1 258.409 3.115 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001552414410 938192123 /nfs/dbraw/zinc/19/21/23/938192123.db2.gz YCKZWRLYDVNMCK-AITUJVMLSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001552414410 938192124 /nfs/dbraw/zinc/19/21/24/938192124.db2.gz YCKZWRLYDVNMCK-AITUJVMLSA-N 2 1 284.447 3.254 20 0 CGADMP Clc1ccccc1C1CC([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC001553027807 938196002 /nfs/dbraw/zinc/19/60/02/938196002.db2.gz OOQAMBQYUABVGC-SEEARECTSA-N 2 1 290.838 3.460 20 0 CGADMP CC[C@H](C)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001560155926 938245602 /nfs/dbraw/zinc/24/56/02/938245602.db2.gz YCHNZZQKKKUNJD-KKUMJFAQSA-N 2 1 261.413 3.027 20 0 CGADMP Cc1ccsc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001560370638 938255697 /nfs/dbraw/zinc/25/56/97/938255697.db2.gz RMIIBRMMTIYTGS-UHFFFAOYSA-N 2 1 296.480 3.036 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1(C)C ZINC001560866364 938280809 /nfs/dbraw/zinc/28/08/09/938280809.db2.gz DKPFPJRTEMUXIJ-HRCADAONSA-N 2 1 284.488 3.289 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1(C)C ZINC001560866364 938280810 /nfs/dbraw/zinc/28/08/10/938280810.db2.gz DKPFPJRTEMUXIJ-HRCADAONSA-N 2 1 284.488 3.289 20 0 CGADMP Cc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1F ZINC001560987646 938288140 /nfs/dbraw/zinc/28/81/40/938288140.db2.gz SJZPMEWJIMCZPA-OAHLLOKOSA-N 2 1 299.393 3.240 20 0 CGADMP Cc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1F ZINC001560987646 938288141 /nfs/dbraw/zinc/28/81/41/938288141.db2.gz SJZPMEWJIMCZPA-OAHLLOKOSA-N 2 1 299.393 3.240 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c3CCC4)C[C@H]2C1 ZINC001561045393 938291158 /nfs/dbraw/zinc/29/11/58/938291158.db2.gz INBBIPSSEBHCMV-QXAKKESOSA-N 2 1 298.474 3.337 20 0 CGADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCC2(CCCCCC2)O1 ZINC001574800648 962324117 /nfs/dbraw/zinc/32/41/17/962324117.db2.gz KLURDLWTTZTLSR-CVEARBPZSA-N 2 1 292.467 3.133 20 0 CGADMP CC(C)(C)c1ccc2c(c1)CC[N@H+](CC(C)(C)C[NH3+])C2 ZINC001575315359 962364733 /nfs/dbraw/zinc/36/47/33/962364733.db2.gz OSBLYNYXFYNIBN-UHFFFAOYSA-N 2 1 274.452 3.327 20 0 CGADMP CC(C)[N@@H+](CCC1([NH3+])CCOCC1)[C@H](C)c1ccsc1 ZINC001575690361 962412230 /nfs/dbraw/zinc/41/22/30/962412230.db2.gz JVOJEQOJJHBVBL-CQSZACIVSA-N 2 1 296.480 3.418 20 0 CGADMP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001576435030 962457034 /nfs/dbraw/zinc/45/70/34/962457034.db2.gz OHVJGBJXUNUNNE-HOCLYGCPSA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1c1cccnc1 ZINC001576457818 962465422 /nfs/dbraw/zinc/46/54/22/962465422.db2.gz OXWGTVRUDKMYQP-QGZVFWFLSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001576584049 962477034 /nfs/dbraw/zinc/47/70/34/962477034.db2.gz SRTBVCOSQRHDEF-RISCZKNCSA-N 2 1 286.341 3.308 20 0 CGADMP CC[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H]1C ZINC001577262601 962518522 /nfs/dbraw/zinc/51/85/22/962518522.db2.gz KAFHAMZVVYOQNQ-RYUDHWBXSA-N 2 1 264.438 3.014 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](N)CC(F)(F)F ZINC001577526863 962552949 /nfs/dbraw/zinc/55/29/49/962552949.db2.gz HQDPUUNGQIFFKK-ZDUSSCGKSA-N 2 1 292.320 3.317 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H](N)CC(F)(F)F ZINC001577526863 962552960 /nfs/dbraw/zinc/55/29/60/962552960.db2.gz HQDPUUNGQIFFKK-ZDUSSCGKSA-N 2 1 292.320 3.317 20 0 CGADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC1CCCCC1 ZINC001577516081 962559107 /nfs/dbraw/zinc/55/91/07/962559107.db2.gz BHZNTSMINAXKPX-ZBFHGGJFSA-N 2 1 252.446 3.134 20 0 CGADMP CCCc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001577608445 962559316 /nfs/dbraw/zinc/55/93/16/962559316.db2.gz DDOMBVUPFYXAFW-RCCFBDPRSA-N 2 1 272.436 3.198 20 0 CGADMP CCn1c2ccc(C)cc2[nH+]c1NC[C@H]1CC[NH2+][C@@H](C)C1 ZINC001578342619 962580515 /nfs/dbraw/zinc/58/05/15/962580515.db2.gz YBKMMPJUGYFSET-KBPBESRZSA-N 2 1 286.423 3.165 20 0 CGADMP CCc1nc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cs1 ZINC001578289966 962584158 /nfs/dbraw/zinc/58/41/58/962584158.db2.gz KOPHSIGOIQXTLL-LLVKDONJSA-N 2 1 275.421 3.015 20 0 CGADMP C[NH2+]CCC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001578687282 962593815 /nfs/dbraw/zinc/59/38/15/962593815.db2.gz UVTPSLDANIULFF-UHFFFAOYSA-N 2 1 287.382 3.006 20 0 CGADMP C[NH2+]CCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001578687282 962593826 /nfs/dbraw/zinc/59/38/26/962593826.db2.gz UVTPSLDANIULFF-UHFFFAOYSA-N 2 1 287.382 3.006 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001578486543 962596703 /nfs/dbraw/zinc/59/67/03/962596703.db2.gz PISIWLGYYANFRS-SPUZQDLCSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)[C@@H]1CCC[NH3+] ZINC001579422867 962625801 /nfs/dbraw/zinc/62/58/01/962625801.db2.gz IEYWIJVMKYXDRY-GDBMZVCRSA-N 2 1 264.457 3.406 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC001579454434 962631539 /nfs/dbraw/zinc/63/15/39/962631539.db2.gz BXELMODLDLAAKF-ZBFHGGJFSA-N 2 1 260.425 3.143 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@H]3C[NH2+]C[C@H](C)C3)CCC2)cc1C ZINC001579678335 962653804 /nfs/dbraw/zinc/65/38/04/962653804.db2.gz QSCPBYAGRWKJQI-RDTXWAMCSA-N 2 1 286.463 3.313 20 0 CGADMP Cc1ccc(C[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)C2CC2)o1 ZINC001579691198 962657496 /nfs/dbraw/zinc/65/74/96/962657496.db2.gz QDVPFDFXYOZJQA-SHTZXODSSA-N 2 1 276.424 3.318 20 0 CGADMP Cc1sccc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001579937196 962677403 /nfs/dbraw/zinc/67/74/03/962677403.db2.gz NIGARUHDYULUMP-OAHLLOKOSA-N 2 1 266.454 3.253 20 0 CGADMP Clc1ccc(CCC[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC001579937978 962679332 /nfs/dbraw/zinc/67/93/32/962679332.db2.gz IPPQZSONTJAEJQ-CVEARBPZSA-N 2 1 278.827 3.147 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)C12CCC2 ZINC001580162865 962697377 /nfs/dbraw/zinc/69/73/77/962697377.db2.gz HDIITPZDEXMUNM-QWHCGFSZSA-N 2 1 285.218 3.353 20 0 CGADMP [NH3+]CC1([NH2+]CCc2ccc(Cl)cc2)CCCCC1 ZINC001580245209 962707985 /nfs/dbraw/zinc/70/79/85/962707985.db2.gz DVVPSQBQQYYYDS-UHFFFAOYSA-N 2 1 266.816 3.134 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)C1 ZINC001580418847 962727648 /nfs/dbraw/zinc/72/76/48/962727648.db2.gz HIDGVJYHLRQQBN-MOXGXCLJSA-N 2 1 292.426 3.371 20 0 CGADMP c1ccc(CSCCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001580893240 962739697 /nfs/dbraw/zinc/73/96/97/962739697.db2.gz YLVYTMAXKMSWIS-KRWDZBQOSA-N 2 1 290.476 3.138 20 0 CGADMP c1ccc(CSCCC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001580893240 962739706 /nfs/dbraw/zinc/73/97/06/962739706.db2.gz YLVYTMAXKMSWIS-KRWDZBQOSA-N 2 1 290.476 3.138 20 0 CGADMP c1c2ccccc2[nH]c1[C@@H]1CCCC[N@@H+]1CCC1C[NH2+]C1 ZINC001580895986 962743092 /nfs/dbraw/zinc/74/30/92/962743092.db2.gz WDVSKSJMROGURX-SFHVURJKSA-N 2 1 283.419 3.304 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C)c2)[C@H](C)C1 ZINC000294951245 199266784 /nfs/dbraw/zinc/26/67/84/199266784.db2.gz VOGJLNVOPGPGCE-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C)c2)[C@H](C)C1 ZINC000294951245 199266786 /nfs/dbraw/zinc/26/67/86/199266786.db2.gz VOGJLNVOPGPGCE-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C)c2)[C@H](C)C1 ZINC000294951245 199266788 /nfs/dbraw/zinc/26/67/88/199266788.db2.gz VOGJLNVOPGPGCE-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C)c2)[C@H](C)C1 ZINC000294951245 199266789 /nfs/dbraw/zinc/26/67/89/199266789.db2.gz VOGJLNVOPGPGCE-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)oc1C ZINC000337390008 214047724 /nfs/dbraw/zinc/04/77/24/214047724.db2.gz KESSDUZARWDBLD-JSGCOSHPSA-N 2 1 264.413 3.279 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000589838143 346813457 /nfs/dbraw/zinc/81/34/57/346813457.db2.gz UQDNNFLSQKXUTG-QZTJIDSGSA-N 2 1 272.436 3.356 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000589838143 346813461 /nfs/dbraw/zinc/81/34/61/346813461.db2.gz UQDNNFLSQKXUTG-QZTJIDSGSA-N 2 1 272.436 3.356 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000337754573 214247406 /nfs/dbraw/zinc/24/74/06/214247406.db2.gz KXKIKXLWHYADOP-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651693528 398270174 /nfs/dbraw/zinc/27/01/74/398270174.db2.gz RYXKDOPQWPVCIG-CYBMUJFWSA-N 2 1 293.773 3.261 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622005015 349621182 /nfs/dbraw/zinc/62/11/82/349621182.db2.gz XTBAKZBCEXYOMF-GUYCJALGSA-N 2 1 270.376 3.054 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622005015 349621184 /nfs/dbraw/zinc/62/11/84/349621184.db2.gz XTBAKZBCEXYOMF-GUYCJALGSA-N 2 1 270.376 3.054 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000651786582 398287906 /nfs/dbraw/zinc/28/79/06/398287906.db2.gz BITGHEYCRNBUSQ-OFQRWUPVSA-N 2 1 261.413 3.004 20 0 CGADMP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000622043482 349622934 /nfs/dbraw/zinc/62/29/34/349622934.db2.gz BRIYHPJSWPSJMT-RRFJBIMHSA-N 2 1 280.362 3.115 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(CC)CC ZINC000338013986 214360522 /nfs/dbraw/zinc/36/05/22/214360522.db2.gz CRBHTWNZGSSWEP-HOTGVXAUSA-N 2 1 293.455 3.155 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@H]1CCSC1)C1CCCCC1 ZINC000651910573 398305462 /nfs/dbraw/zinc/30/54/62/398305462.db2.gz ZMSBDOZGVGJYKK-OAHLLOKOSA-N 2 1 284.513 3.374 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CCSC1)C1CCCCC1 ZINC000651910586 398305487 /nfs/dbraw/zinc/30/54/87/398305487.db2.gz ZTBCZJOKWRUVRH-AWEZNQCLSA-N 2 1 270.486 3.126 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423459032 529453958 /nfs/dbraw/zinc/45/39/58/529453958.db2.gz HLRGSHYUQNVSNT-PWSUYJOCSA-N 2 1 288.407 3.432 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423466422 529454037 /nfs/dbraw/zinc/45/40/37/529454037.db2.gz NMNSYQVNHOVTLZ-WBMJQRKESA-N 2 1 272.392 3.236 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000125787551 187200340 /nfs/dbraw/zinc/20/03/40/187200340.db2.gz WCGYZLMVIVQTOH-MAUKXSAKSA-N 2 1 272.436 3.384 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473175 529568623 /nfs/dbraw/zinc/56/86/23/529568623.db2.gz QOMGZYXLOOQDLT-KGLIPLIRSA-N 2 1 252.789 3.118 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000423475877 529568693 /nfs/dbraw/zinc/56/86/93/529568693.db2.gz SEVAFNPYRGSZPY-QZTJIDSGSA-N 2 1 268.404 3.297 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423459414 529568981 /nfs/dbraw/zinc/56/89/81/529568981.db2.gz HZABVGUIWSWKFV-ZIAGYGMSSA-N 2 1 286.341 3.483 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423475802 529569259 /nfs/dbraw/zinc/56/92/59/529569259.db2.gz SDNAONBFPIDCKV-BXKDBHETSA-N 2 1 260.303 3.093 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1(C)C ZINC000623335682 349780604 /nfs/dbraw/zinc/78/06/04/349780604.db2.gz ZLAWBTQQJYIKIX-HNNXBMFYSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccs1 ZINC000423535938 529654196 /nfs/dbraw/zinc/65/41/96/529654196.db2.gz YPLINRFGWDXYSJ-STQMWFEESA-N 2 1 252.427 3.306 20 0 CGADMP Cc1cnc([C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431950 349807950 /nfs/dbraw/zinc/80/79/50/349807950.db2.gz YOJJHVZHGMYYSG-KBPBESRZSA-N 2 1 293.480 3.365 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)CC1(C)C ZINC000623454184 349812670 /nfs/dbraw/zinc/81/26/70/349812670.db2.gz XISKGAOGXCKUAK-RYUDHWBXSA-N 2 1 260.372 3.027 20 0 CGADMP CCO[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623439156 349809928 /nfs/dbraw/zinc/80/99/28/349809928.db2.gz XZIOLXZZNFAXKU-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1OC ZINC000623452596 349813024 /nfs/dbraw/zinc/81/30/24/349813024.db2.gz JCLUFZFVCLAXQW-KFWWJZLASA-N 2 1 282.472 3.043 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020354 199303239 /nfs/dbraw/zinc/30/32/39/199303239.db2.gz ZYYHVYGBAPMXIP-UONOGXRCSA-N 2 1 296.405 3.342 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020354 199303241 /nfs/dbraw/zinc/30/32/41/199303241.db2.gz ZYYHVYGBAPMXIP-UONOGXRCSA-N 2 1 296.405 3.342 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020354 199303242 /nfs/dbraw/zinc/30/32/42/199303242.db2.gz ZYYHVYGBAPMXIP-UONOGXRCSA-N 2 1 296.405 3.342 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000295020354 199303244 /nfs/dbraw/zinc/30/32/44/199303244.db2.gz ZYYHVYGBAPMXIP-UONOGXRCSA-N 2 1 296.405 3.342 20 0 CGADMP CCc1cnccc1[C@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623482890 349817585 /nfs/dbraw/zinc/81/75/85/349817585.db2.gz KVDPMTYGZPSZGL-ZFWWWQNUSA-N 2 1 275.440 3.167 20 0 CGADMP CCc1cnccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623482890 349817593 /nfs/dbraw/zinc/81/75/93/349817593.db2.gz KVDPMTYGZPSZGL-ZFWWWQNUSA-N 2 1 275.440 3.167 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126849324 187266005 /nfs/dbraw/zinc/26/60/05/187266005.db2.gz NBKVGOVQFALEKU-ZIAGYGMSSA-N 2 1 266.454 3.348 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126849324 187266007 /nfs/dbraw/zinc/26/60/07/187266007.db2.gz NBKVGOVQFALEKU-ZIAGYGMSSA-N 2 1 266.454 3.348 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc3[nH]ccc32)CC1(C)C ZINC000623515330 349824980 /nfs/dbraw/zinc/82/49/80/349824980.db2.gz YFYZXYVHQKSVRJ-HNNXBMFYSA-N 2 1 285.435 3.173 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3ccoc32)C1 ZINC000449327860 529808486 /nfs/dbraw/zinc/80/84/86/529808486.db2.gz DCVVLVLVUQDVBX-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3ccoc32)C1 ZINC000449327860 529808487 /nfs/dbraw/zinc/80/84/87/529808487.db2.gz DCVVLVLVUQDVBX-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3ccoc32)C1 ZINC000449327860 529808488 /nfs/dbraw/zinc/80/84/88/529808488.db2.gz DCVVLVLVUQDVBX-WBVHZDCISA-N 2 1 284.403 3.349 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623607074 349848296 /nfs/dbraw/zinc/84/82/96/349848296.db2.gz VSSCMRAMPIZSRW-XSLAGTTESA-N 2 1 284.447 3.395 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000623657784 349859744 /nfs/dbraw/zinc/85/97/44/349859744.db2.gz YZDFJGWRJPNOGA-VOKGJARPSA-N 2 1 294.389 3.300 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657666 349860120 /nfs/dbraw/zinc/86/01/20/349860120.db2.gz WHPRDXBNXPLNKE-AWEZNQCLSA-N 2 1 278.415 3.210 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657666 349860124 /nfs/dbraw/zinc/86/01/24/349860124.db2.gz WHPRDXBNXPLNKE-AWEZNQCLSA-N 2 1 278.415 3.210 20 0 CGADMP CCS[C@@H]1CCCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000592476612 346993048 /nfs/dbraw/zinc/99/30/48/346993048.db2.gz ISQGXSJJLTYUKC-MRXNPFEDSA-N 2 1 284.513 3.374 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367600998 529934757 /nfs/dbraw/zinc/93/47/57/529934757.db2.gz DJPIIIOCCAFHHS-XYPWUTKMSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367600998 529934759 /nfs/dbraw/zinc/93/47/59/529934759.db2.gz DJPIIIOCCAFHHS-XYPWUTKMSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367600998 529934761 /nfs/dbraw/zinc/93/47/61/529934761.db2.gz DJPIIIOCCAFHHS-XYPWUTKMSA-N 2 1 292.854 3.440 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459466467 534957269 /nfs/dbraw/zinc/95/72/69/534957269.db2.gz JQAWEVTUFHKJQZ-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000351569517 219129679 /nfs/dbraw/zinc/12/96/79/219129679.db2.gz ULYRQGMYQBLVAW-JQHSSLGASA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@H]1C[C@H]1c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000351569517 219129681 /nfs/dbraw/zinc/12/96/81/219129681.db2.gz ULYRQGMYQBLVAW-JQHSSLGASA-N 2 1 272.436 3.064 20 0 CGADMP C[NH+](C[C@H]1C[C@H]1c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351569517 219129684 /nfs/dbraw/zinc/12/96/84/219129684.db2.gz ULYRQGMYQBLVAW-JQHSSLGASA-N 2 1 272.436 3.064 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423237478 529978722 /nfs/dbraw/zinc/97/87/22/529978722.db2.gz DJKOOKSELDBTNM-TZMCWYRMSA-N 2 1 286.341 3.151 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000034429804 344939568 /nfs/dbraw/zinc/93/95/68/344939568.db2.gz RBXXJIZKPRAZQT-MRXNPFEDSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000051951911 345094182 /nfs/dbraw/zinc/09/41/82/345094182.db2.gz XWIJFKDADHJHEL-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000076726889 345548829 /nfs/dbraw/zinc/54/88/29/345548829.db2.gz UOGHLIHTHZGJNL-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC000076726889 345548833 /nfs/dbraw/zinc/54/88/33/345548833.db2.gz UOGHLIHTHZGJNL-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000084946365 345743815 /nfs/dbraw/zinc/74/38/15/345743815.db2.gz OISMQVDQSGVMQH-XJKSGUPXSA-N 2 1 260.425 3.296 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000089214462 345766730 /nfs/dbraw/zinc/76/67/30/345766730.db2.gz QCSZUYSORNKSDE-JZXOWHBKSA-N 2 1 288.410 3.420 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027382 345778111 /nfs/dbraw/zinc/77/81/11/345778111.db2.gz BKKWYZVGWNRHNB-YOEHRIQHSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000090027382 345778115 /nfs/dbraw/zinc/77/81/15/345778115.db2.gz BKKWYZVGWNRHNB-YOEHRIQHSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cn2)C1 ZINC000090586212 345790846 /nfs/dbraw/zinc/79/08/46/345790846.db2.gz XTTHCMLQYXJONG-LSDHHAIUSA-N 2 1 293.430 3.239 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cn2)C1 ZINC000090586212 345790847 /nfs/dbraw/zinc/79/08/47/345790847.db2.gz XTTHCMLQYXJONG-LSDHHAIUSA-N 2 1 293.430 3.239 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000127559024 187316288 /nfs/dbraw/zinc/31/62/88/187316288.db2.gz JPYZEKMLNZECGS-CYBMUJFWSA-N 2 1 276.399 3.146 20 0 CGADMP CC[C@@H](C)[NH2+][C@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000165997585 346185678 /nfs/dbraw/zinc/18/56/78/346185678.db2.gz HZQYVYAXQZSILW-NVXWUHKLSA-N 2 1 278.440 3.084 20 0 CGADMP CC[C@@H](C)[NH2+][C@H](CC[N@@H+](C)CCOC)c1ccccc1 ZINC000165997585 346185680 /nfs/dbraw/zinc/18/56/80/346185680.db2.gz HZQYVYAXQZSILW-NVXWUHKLSA-N 2 1 278.440 3.084 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000233501552 346329738 /nfs/dbraw/zinc/32/97/38/346329738.db2.gz OABIADUDSHXDFX-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000233501552 346329740 /nfs/dbraw/zinc/32/97/40/346329740.db2.gz OABIADUDSHXDFX-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300138336 346436192 /nfs/dbraw/zinc/43/61/92/346436192.db2.gz NBOHJGHOJFWTML-RBSFLKMASA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000311466000 346473604 /nfs/dbraw/zinc/47/36/04/346473604.db2.gz XDCYMLZKKZPPML-CKEIUWERSA-N 2 1 258.409 3.166 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)sc1Cl ZINC000401688781 346593029 /nfs/dbraw/zinc/59/30/29/346593029.db2.gz ZCXJPEHOKIWVSQ-UHFFFAOYSA-N 2 1 290.219 3.121 20 0 CGADMP CCn1cncc1CNCc1cc2cc(C)ccc2o1 ZINC000584851605 346718718 /nfs/dbraw/zinc/71/87/18/346718718.db2.gz XUOLUBPEMJRLQK-UHFFFAOYSA-N 2 1 269.348 3.247 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000598981174 347703159 /nfs/dbraw/zinc/70/31/59/347703159.db2.gz TVGCJRCPXGGWEU-YMAMQOFZSA-N 2 1 284.513 3.371 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCCF)CC1 ZINC000351856272 219228703 /nfs/dbraw/zinc/22/87/03/219228703.db2.gz QZKGQPDMAONFTG-UHFFFAOYSA-N 2 1 258.425 3.180 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCCCC1 ZINC000624120243 349976451 /nfs/dbraw/zinc/97/64/51/349976451.db2.gz UTDWASASFYAJHW-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121911 349980076 /nfs/dbraw/zinc/98/00/76/349980076.db2.gz FWJXLVDGQHGPTM-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122742 349981214 /nfs/dbraw/zinc/98/12/14/349981214.db2.gz ZULFXRYUESZALC-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121686 349980720 /nfs/dbraw/zinc/98/07/20/349980720.db2.gz BBGAXYDRHDINCL-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000624122564 349982144 /nfs/dbraw/zinc/98/21/44/349982144.db2.gz VELXFOBPMRZDBP-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000624122564 349982145 /nfs/dbraw/zinc/98/21/45/349982145.db2.gz VELXFOBPMRZDBP-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339412508 215157249 /nfs/dbraw/zinc/15/72/49/215157249.db2.gz OTYADVZAQQRXBT-STQMWFEESA-N 2 1 298.833 3.471 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000624123180 349983173 /nfs/dbraw/zinc/98/31/73/349983173.db2.gz HIIQYEIYLYWLBH-HSBZDZAISA-N 2 1 274.399 3.132 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000607358155 348235287 /nfs/dbraw/zinc/23/52/87/348235287.db2.gz IUMYEPCNXXZUJW-AWEZNQCLSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1ccccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000607358155 348235289 /nfs/dbraw/zinc/23/52/89/348235289.db2.gz IUMYEPCNXXZUJW-AWEZNQCLSA-N 2 1 280.843 3.156 20 0 CGADMP C[NH+](CCc1ccccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358155 348235291 /nfs/dbraw/zinc/23/52/91/348235291.db2.gz IUMYEPCNXXZUJW-AWEZNQCLSA-N 2 1 280.843 3.156 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNCc1nc2ccccc2o1 ZINC000607426664 348237803 /nfs/dbraw/zinc/23/78/03/348237803.db2.gz XMKOGSSYOOQINO-CQSZACIVSA-N 2 1 287.407 3.182 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC000339440744 215173061 /nfs/dbraw/zinc/17/30/61/215173061.db2.gz YRXRFORLVGEQRE-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC000339440744 215173062 /nfs/dbraw/zinc/17/30/62/215173062.db2.gz YRXRFORLVGEQRE-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000339440744 215173066 /nfs/dbraw/zinc/17/30/66/215173066.db2.gz YRXRFORLVGEQRE-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCC3CCOCC3)C2)C1 ZINC000339441170 215173694 /nfs/dbraw/zinc/17/36/94/215173694.db2.gz VUODFWNMRYXANA-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCC3CCOCC3)C2)C1 ZINC000339441170 215173698 /nfs/dbraw/zinc/17/36/98/215173698.db2.gz VUODFWNMRYXANA-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCC3CCOCC3)C2)C1 ZINC000339441170 215173700 /nfs/dbraw/zinc/17/37/00/215173700.db2.gz VUODFWNMRYXANA-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP CSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000611526287 348458817 /nfs/dbraw/zinc/45/88/17/348458817.db2.gz GTGZBRRKGRXSPU-BJWYYQGGSA-N 2 1 290.476 3.135 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000625453813 350174069 /nfs/dbraw/zinc/17/40/69/350174069.db2.gz VNGHIPSOJIURHF-MRXNPFEDSA-N 2 1 284.488 3.028 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000626164136 350275119 /nfs/dbraw/zinc/27/51/19/350275119.db2.gz XHTCOYKWVIOWNO-OBMMGQTPSA-N 2 1 250.430 3.149 20 0 CGADMP C/C=C/C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000626164136 350275122 /nfs/dbraw/zinc/27/51/22/350275122.db2.gz XHTCOYKWVIOWNO-OBMMGQTPSA-N 2 1 250.430 3.149 20 0 CGADMP C/C=C/C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000626164136 350275125 /nfs/dbraw/zinc/27/51/25/350275125.db2.gz XHTCOYKWVIOWNO-OBMMGQTPSA-N 2 1 250.430 3.149 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000336538028 213423316 /nfs/dbraw/zinc/42/33/16/213423316.db2.gz OXIMVFQMOUHYHZ-VXGBXAGGSA-N 2 1 276.355 3.131 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H](C)C1CC(F)(F)C1)C(C)C ZINC000628198897 350436094 /nfs/dbraw/zinc/43/60/94/350436094.db2.gz QGNWZMCJLGUWOA-GFCCVEGCSA-N 2 1 262.388 3.129 20 0 CGADMP Cc1nccn1[C@H]1CCC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000628166937 350418938 /nfs/dbraw/zinc/41/89/38/350418938.db2.gz YPCYYBJZIDOTAM-GJZGRUSLSA-N 2 1 279.453 3.114 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628210059 350441152 /nfs/dbraw/zinc/44/11/52/350441152.db2.gz FOODHFTZYXQUBJ-IAGOWNOFSA-N 2 1 274.452 3.420 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628425138 350535748 /nfs/dbraw/zinc/53/57/48/350535748.db2.gz BJIMKRBYLVFIDB-IRXDYDNUSA-N 2 1 274.452 3.420 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000628425696 350537061 /nfs/dbraw/zinc/53/70/61/350537061.db2.gz SHAJADLNRUQLLK-WBVHZDCISA-N 2 1 290.451 3.035 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000629536868 350705863 /nfs/dbraw/zinc/70/58/63/350705863.db2.gz GRSVUFJKTCXSOE-QGTPRVQTSA-N 2 1 272.436 3.046 20 0 CGADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cc2c1 ZINC000629537847 350705980 /nfs/dbraw/zinc/70/59/80/350705980.db2.gz LSQIGFKMPIUOCJ-KXBFYZLASA-N 2 1 297.446 3.493 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc2c1 ZINC000629540483 350706818 /nfs/dbraw/zinc/70/68/18/350706818.db2.gz PNGZIJSUAQVZJI-MPGHIAIKSA-N 2 1 297.446 3.348 20 0 CGADMP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629553328 350711782 /nfs/dbraw/zinc/71/17/82/350711782.db2.gz VYIMROSNLQHQPG-AEGPPILISA-N 2 1 298.352 3.293 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397230 350688415 /nfs/dbraw/zinc/68/84/15/350688415.db2.gz UFWKVJFTQMPIJT-DJIMGWMZSA-N 2 1 260.425 3.128 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000629652696 350731509 /nfs/dbraw/zinc/73/15/09/350731509.db2.gz CTIQVAMGFQDKAZ-BYCMXARLSA-N 2 1 266.816 3.174 20 0 CGADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000631263939 351011918 /nfs/dbraw/zinc/01/19/18/351011918.db2.gz WIKJBGURPQKSDU-HUUCEWRRSA-N 2 1 298.352 3.191 20 0 CGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)F)CC2)C1 ZINC000631658263 351107527 /nfs/dbraw/zinc/10/75/27/351107527.db2.gz JYSJDLDMZLGTRT-ZFWWWQNUSA-N 2 1 270.436 3.367 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)F)CC2)C1 ZINC000631658262 351108070 /nfs/dbraw/zinc/10/80/70/351108070.db2.gz JYSJDLDMZLGTRT-UKRRQHHQSA-N 2 1 270.436 3.367 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000631826469 351148903 /nfs/dbraw/zinc/14/89/03/351148903.db2.gz ODGIPKLCKJMDSO-SOUVJXGZSA-N 2 1 286.410 3.133 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(N)c2)CC1 ZINC000631838025 351150726 /nfs/dbraw/zinc/15/07/26/351150726.db2.gz YTVKAUXLHDLTEV-UHFFFAOYSA-N 2 1 287.451 3.109 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631890606 351152825 /nfs/dbraw/zinc/15/28/25/351152825.db2.gz TURHWQCSPMMTQD-HUUCEWRRSA-N 2 1 280.362 3.198 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2c1 ZINC000634687939 351573712 /nfs/dbraw/zinc/57/37/12/351573712.db2.gz DEPLHYPUFIFZMP-DNVCBOLYSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1C ZINC000635020126 351632983 /nfs/dbraw/zinc/63/29/83/351632983.db2.gz JVUDVZXJOFIPQA-ZIAGYGMSSA-N 2 1 252.427 3.115 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000635020123 351633088 /nfs/dbraw/zinc/63/30/88/351633088.db2.gz JVUDVZXJOFIPQA-KBPBESRZSA-N 2 1 252.427 3.115 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000635011898 351629248 /nfs/dbraw/zinc/62/92/48/351629248.db2.gz QAXKZEDEIULSML-ABAIWWIYSA-N 2 1 294.389 3.320 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000271492472 191170402 /nfs/dbraw/zinc/17/04/02/191170402.db2.gz PCRKTASPYFIKEP-OCLKOUHBSA-N 2 1 272.436 3.251 20 0 CGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000271621674 191246473 /nfs/dbraw/zinc/24/64/73/191246473.db2.gz YPNARRYBNLUBCL-HOTGVXAUSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292141275 198179548 /nfs/dbraw/zinc/17/95/48/198179548.db2.gz MKSCYZVNZXWXSH-RDJZCZTQSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292141275 198179549 /nfs/dbraw/zinc/17/95/49/198179549.db2.gz MKSCYZVNZXWXSH-RDJZCZTQSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292141275 198179551 /nfs/dbraw/zinc/17/95/51/198179551.db2.gz MKSCYZVNZXWXSH-RDJZCZTQSA-N 2 1 258.409 3.084 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000152397334 188015273 /nfs/dbraw/zinc/01/52/73/188015273.db2.gz NIIZQDZXRJGAIB-HZPDHXFCSA-N 2 1 272.436 3.438 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H](C)c1ccccc1 ZINC000271891772 191393331 /nfs/dbraw/zinc/39/33/31/191393331.db2.gz SCYWINWGEGUFMZ-HUUCEWRRSA-N 2 1 258.409 3.030 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000271850074 191367119 /nfs/dbraw/zinc/36/71/19/191367119.db2.gz INRALJCQDXCQDW-LLVKDONJSA-N 2 1 282.790 3.392 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1Cl ZINC000271848527 191367305 /nfs/dbraw/zinc/36/73/05/191367305.db2.gz ICXQRADEBHCLPS-GFCCVEGCSA-N 2 1 264.800 3.253 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191358 235359187 /nfs/dbraw/zinc/35/91/87/235359187.db2.gz SKLVSIFFRAWFAO-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414169650 235352885 /nfs/dbraw/zinc/35/28/85/235352885.db2.gz BGNQPURUZXWOOD-KBPBESRZSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)c2ccccc12 ZINC000414215895 235366158 /nfs/dbraw/zinc/36/61/58/235366158.db2.gz YRRDILMIWRTZGU-UHFFFAOYSA-N 2 1 268.404 3.332 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000414853151 235482171 /nfs/dbraw/zinc/48/21/71/235482171.db2.gz RYOCMXWILUXFGW-MSOLQXFVSA-N 2 1 272.436 3.041 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106869025 138356205 /nfs/dbraw/zinc/35/62/05/138356205.db2.gz WJEOHKWCLQOBSS-LSDHHAIUSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106869025 138356206 /nfs/dbraw/zinc/35/62/06/138356206.db2.gz WJEOHKWCLQOBSS-LSDHHAIUSA-N 2 1 298.352 3.422 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCOc2ccccc2)CC[N@@H+]1C ZINC000123956694 138371602 /nfs/dbraw/zinc/37/16/02/138371602.db2.gz JYGYOINCUADPCO-SJORKVTESA-N 2 1 290.451 3.260 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCCOc2ccccc2)CC[N@H+]1C ZINC000123956694 138371603 /nfs/dbraw/zinc/37/16/03/138371603.db2.gz JYGYOINCUADPCO-SJORKVTESA-N 2 1 290.451 3.260 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCOc2ccccc2)CC[NH+]1C ZINC000123956694 138371604 /nfs/dbraw/zinc/37/16/04/138371604.db2.gz JYGYOINCUADPCO-SJORKVTESA-N 2 1 290.451 3.260 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCOc2ccccc2)CC[NH+]1C ZINC000123956694 138371605 /nfs/dbraw/zinc/37/16/05/138371605.db2.gz JYGYOINCUADPCO-SJORKVTESA-N 2 1 290.451 3.260 20 0 CGADMP CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccn1 ZINC000125385122 138382214 /nfs/dbraw/zinc/38/22/14/138382214.db2.gz YWVYCXIOBBMKOK-UHFFFAOYSA-N 2 1 292.386 3.289 20 0 CGADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423225180 236000933 /nfs/dbraw/zinc/00/09/33/236000933.db2.gz LPVCYTWZMPIVNQ-RYUDHWBXSA-N 2 1 275.421 3.198 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423342198 236044444 /nfs/dbraw/zinc/04/44/44/236044444.db2.gz YLXZFHNHAZWOCU-YGRLFVJLSA-N 2 1 252.789 3.118 20 0 CGADMP Clc1ccc([C@H]2CC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423305247 236031751 /nfs/dbraw/zinc/03/17/51/236031751.db2.gz QDUUYUCRWCXJMB-IMJJTQAJSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000423393912 236062136 /nfs/dbraw/zinc/06/21/36/236062136.db2.gz MKECPIMQVSGMGH-DYEKYZERSA-N 2 1 298.377 3.245 20 0 CGADMP CCC[N@@H+](C[C@H](C)c1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000470004570 283282865 /nfs/dbraw/zinc/28/28/65/283282865.db2.gz ZLMRAWVAQFQXIN-HNNXBMFYSA-N 2 1 290.451 3.263 20 0 CGADMP FC(F)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423502855 236088445 /nfs/dbraw/zinc/08/84/45/236088445.db2.gz FGJGUMYWIBMSOA-SSHXOBKSSA-N 2 1 294.389 3.156 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423509391 236089600 /nfs/dbraw/zinc/08/96/00/236089600.db2.gz JPNLSRNVEPCWAC-GUYCJALGSA-N 2 1 276.424 3.253 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)s1 ZINC000424204502 236133535 /nfs/dbraw/zinc/13/35/35/236133535.db2.gz MDSPVDUGVCSWNZ-UONOGXRCSA-N 2 1 293.480 3.263 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000294795655 199187467 /nfs/dbraw/zinc/18/74/67/199187467.db2.gz MKOMUHSGPUEDPY-AEFFLSMTSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000119297087 370664656 /nfs/dbraw/zinc/66/46/56/370664656.db2.gz IXEFLSSDZHBCGB-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303694 237075915 /nfs/dbraw/zinc/07/59/15/237075915.db2.gz CGUISWXYUXEEEM-WBOJAVRRSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303694 237075921 /nfs/dbraw/zinc/07/59/21/237075921.db2.gz CGUISWXYUXEEEM-WBOJAVRRSA-N 2 1 276.399 3.002 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCc2ccccc2CC1)C1CCCC1 ZINC000423497867 283453569 /nfs/dbraw/zinc/45/35/69/283453569.db2.gz HNBXQSGLCDNVIT-GOSISDBHSA-N 2 1 272.436 3.041 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000298209979 200361632 /nfs/dbraw/zinc/36/16/32/200361632.db2.gz YYLKPBAUZVSYKQ-SJPCQFCGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000298209979 200361633 /nfs/dbraw/zinc/36/16/33/200361633.db2.gz YYLKPBAUZVSYKQ-SJPCQFCGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000298209979 200361634 /nfs/dbraw/zinc/36/16/34/200361634.db2.gz YYLKPBAUZVSYKQ-SJPCQFCGSA-N 2 1 292.854 3.440 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000177819229 189071746 /nfs/dbraw/zinc/07/17/46/189071746.db2.gz PNGATHWWDAZYIU-OVWQWFNUSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc3ccccc32)CC[N@H+]1C ZINC000177984052 189082700 /nfs/dbraw/zinc/08/27/00/189082700.db2.gz GJTVQMPWQPSELI-QAPCUYQASA-N 2 1 282.431 3.455 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2ccccc2n1 ZINC000178038831 189087588 /nfs/dbraw/zinc/08/75/88/189087588.db2.gz MCPCCNHFGHJNSO-CQSZACIVSA-N 2 1 285.435 3.473 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000178440837 189116780 /nfs/dbraw/zinc/11/67/80/189116780.db2.gz OFCITWKPPFCJMQ-CYBMUJFWSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000178440837 189116781 /nfs/dbraw/zinc/11/67/81/189116781.db2.gz OFCITWKPPFCJMQ-CYBMUJFWSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000178700698 189138287 /nfs/dbraw/zinc/13/82/87/189138287.db2.gz BNZOTAMPIGOEAV-KGLIPLIRSA-N 2 1 299.418 3.113 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)o1 ZINC000178707117 189138811 /nfs/dbraw/zinc/13/88/11/189138811.db2.gz MTYJOPSFHQZQJV-WCQYABFASA-N 2 1 261.369 3.080 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000178707414 189138961 /nfs/dbraw/zinc/13/89/61/189138961.db2.gz SNVOUGSHSGWSBK-HUUCEWRRSA-N 2 1 271.408 3.487 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000178786949 189146144 /nfs/dbraw/zinc/14/61/44/189146144.db2.gz JAMVDJUKWNPYRF-CYBMUJFWSA-N 2 1 275.371 3.462 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974204 189158927 /nfs/dbraw/zinc/15/89/27/189158927.db2.gz HUMBZCLCLSUWFA-CXAGYDPISA-N 2 1 276.399 3.208 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1c1cccc(F)c1 ZINC000178975902 189159081 /nfs/dbraw/zinc/15/90/81/189159081.db2.gz PZYQGYUAWMCZEQ-GUYCJALGSA-N 2 1 276.399 3.208 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173868 189290229 /nfs/dbraw/zinc/29/02/29/189290229.db2.gz NYEXTTMYZKYNOU-UMVBOHGHSA-N 2 1 296.842 3.180 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000181290548 189293112 /nfs/dbraw/zinc/29/31/12/189293112.db2.gz DVJUVUBKPXFTLY-AEFFLSMTSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000301511874 201038506 /nfs/dbraw/zinc/03/85/06/201038506.db2.gz KSPFNZGDGCZUDK-UHFFFAOYSA-N 2 1 267.804 3.411 20 0 CGADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Cl)Cc1ccccc1 ZINC000301519173 201042744 /nfs/dbraw/zinc/04/27/44/201042744.db2.gz HFYMEXIWRBNLRY-CQSZACIVSA-N 2 1 289.810 3.320 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cs1 ZINC000449030313 239127763 /nfs/dbraw/zinc/12/77/63/239127763.db2.gz RFURHOXCIXMDFR-HNNXBMFYSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cs1 ZINC000449030313 239127769 /nfs/dbraw/zinc/12/77/69/239127769.db2.gz RFURHOXCIXMDFR-HNNXBMFYSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000449030313 239127772 /nfs/dbraw/zinc/12/77/72/239127772.db2.gz RFURHOXCIXMDFR-HNNXBMFYSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cs1 ZINC000449030313 239127777 /nfs/dbraw/zinc/12/77/77/239127777.db2.gz RFURHOXCIXMDFR-HNNXBMFYSA-N 2 1 266.454 3.363 20 0 CGADMP CC[N@H+]1CCCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302063265 201326738 /nfs/dbraw/zinc/32/67/38/201326738.db2.gz DCPWYKUFAUGAIE-UHFFFAOYSA-N 2 1 283.419 3.384 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000449065899 239154535 /nfs/dbraw/zinc/15/45/35/239154535.db2.gz XIEOEOWSEFXCKR-CQSZACIVSA-N 2 1 264.413 3.065 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1OCC(C)C ZINC000449107639 239183333 /nfs/dbraw/zinc/18/33/33/239183333.db2.gz NITVIBMZFBQDHF-UHFFFAOYSA-N 2 1 287.407 3.016 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449169669 239219585 /nfs/dbraw/zinc/21/95/85/239219585.db2.gz HIXUHGSXDFNWTF-XHBSWPGZSA-N 2 1 282.378 3.141 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000449222752 239251778 /nfs/dbraw/zinc/25/17/78/239251778.db2.gz INAIUDXPQYBWNB-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2ccccc2OC(F)F)[C@H](C)C1 ZINC000119771126 370707485 /nfs/dbraw/zinc/70/74/85/370707485.db2.gz WZSKDGWMBUQAFN-OCCSQVGLSA-N 2 1 298.377 3.108 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000119771126 370707491 /nfs/dbraw/zinc/70/74/91/370707491.db2.gz WZSKDGWMBUQAFN-OCCSQVGLSA-N 2 1 298.377 3.108 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000119771126 370707495 /nfs/dbraw/zinc/70/74/95/370707495.db2.gz WZSKDGWMBUQAFN-OCCSQVGLSA-N 2 1 298.377 3.108 20 0 CGADMP COc1cc(C)ccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000119808844 370711844 /nfs/dbraw/zinc/71/18/44/370711844.db2.gz BPZHTQKYDZIBTL-UHFFFAOYSA-N 2 1 290.451 3.214 20 0 CGADMP CC[C@@H](C)C[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000120492598 370772530 /nfs/dbraw/zinc/77/25/30/370772530.db2.gz KWZBPARRXIECGU-CQSZACIVSA-N 2 1 251.418 3.340 20 0 CGADMP CC[C@@H](C)C[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000120492598 370772537 /nfs/dbraw/zinc/77/25/37/370772537.db2.gz KWZBPARRXIECGU-CQSZACIVSA-N 2 1 251.418 3.340 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC000450855110 240121890 /nfs/dbraw/zinc/12/18/90/240121890.db2.gz LOTVDPQGOJSTON-MRXNPFEDSA-N 2 1 280.843 3.299 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000275401225 193024084 /nfs/dbraw/zinc/02/40/84/193024084.db2.gz ZVIGXQAYYOPTRB-KRWDZBQOSA-N 2 1 271.408 3.048 20 0 CGADMP CC[C@H](NCCC[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000120761966 370797122 /nfs/dbraw/zinc/79/71/22/370797122.db2.gz JSDDFLSPFZVNDA-KRWDZBQOSA-N 2 1 292.471 3.115 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000120761966 370797127 /nfs/dbraw/zinc/79/71/27/370797127.db2.gz JSDDFLSPFZVNDA-KRWDZBQOSA-N 2 1 292.471 3.115 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000120761966 370797129 /nfs/dbraw/zinc/79/71/29/370797129.db2.gz JSDDFLSPFZVNDA-KRWDZBQOSA-N 2 1 292.471 3.115 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000275493158 193058002 /nfs/dbraw/zinc/05/80/02/193058002.db2.gz JCRRMESJSHYUGX-CJNGLKHVSA-N 2 1 287.382 3.326 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275460659 193048465 /nfs/dbraw/zinc/04/84/65/193048465.db2.gz HDAUXIQOFZPKFB-JYJNAYRXSA-N 2 1 283.419 3.227 20 0 CGADMP Cn1cncc1CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000459348366 242083567 /nfs/dbraw/zinc/08/35/67/242083567.db2.gz HCLKBNOQANPUJH-GOSISDBHSA-N 2 1 281.403 3.115 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459724185 242191383 /nfs/dbraw/zinc/19/13/83/242191383.db2.gz AJBRLAPMSJEOIS-HNNXBMFYSA-N 2 1 290.451 3.079 20 0 CGADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000459727994 242193505 /nfs/dbraw/zinc/19/35/05/242193505.db2.gz HWRSCAWZRWNPHK-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1cccc(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459725962 242194064 /nfs/dbraw/zinc/19/40/64/242194064.db2.gz FTLPSOXDSLOIAP-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798396 242239567 /nfs/dbraw/zinc/23/95/67/242239567.db2.gz XOTPNQHNYKPGBA-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3ccoc32)C1 ZINC000459799158 242240687 /nfs/dbraw/zinc/24/06/87/242240687.db2.gz YNIZCULUGIDTRH-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459741219 242204842 /nfs/dbraw/zinc/20/48/42/242204842.db2.gz VFCCKMALFUCMIH-GEZBDVBVSA-N 2 1 288.435 3.030 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459777229 242227836 /nfs/dbraw/zinc/22/78/36/242227836.db2.gz KIQMTZSXJZRNLZ-HUUCEWRRSA-N 2 1 280.481 3.391 20 0 CGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(F)ccc23)CC[N@H+]1C ZINC000462896473 242374865 /nfs/dbraw/zinc/37/48/65/242374865.db2.gz UPBYSZONGRYVKT-AAEUAGOBSA-N 2 1 273.355 3.269 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479120700 243094438 /nfs/dbraw/zinc/09/44/38/243094438.db2.gz UCGXLPMAMUNPCS-MLGOLLRUSA-N 2 1 278.827 3.259 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1Cc2ccccc2C1 ZINC000480665773 243160563 /nfs/dbraw/zinc/16/05/63/243160563.db2.gz OHAOTKPJVSZQBR-OAHLLOKOSA-N 2 1 272.436 3.008 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479702701 243120774 /nfs/dbraw/zinc/12/07/74/243120774.db2.gz SQFSJTADNHCJIM-QAPCUYQASA-N 2 1 272.436 3.254 20 0 CGADMP CCCC[C@H](CCC)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484839401 243321082 /nfs/dbraw/zinc/32/10/82/243321082.db2.gz YOOCSTOBGSZUMG-FJIDUMEYSA-N 2 1 296.499 3.340 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000485256598 243329575 /nfs/dbraw/zinc/32/95/75/243329575.db2.gz YCEBHVOJICQVHA-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256598 243329578 /nfs/dbraw/zinc/32/95/78/243329578.db2.gz YCEBHVOJICQVHA-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256598 243329581 /nfs/dbraw/zinc/32/95/81/243329581.db2.gz YCEBHVOJICQVHA-OAHLLOKOSA-N 2 1 280.843 3.156 20 0 CGADMP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CCSC1)CC(C)C ZINC000486987624 243392494 /nfs/dbraw/zinc/39/24/94/243392494.db2.gz MRCCVSANPMXROB-CABCVRRESA-N 2 1 272.502 3.086 20 0 CGADMP CC(C)Oc1cccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000036997312 369049096 /nfs/dbraw/zinc/04/90/96/369049096.db2.gz SIMIPRXBNHEBSO-AWEZNQCLSA-N 2 1 276.424 3.219 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036961218 369043140 /nfs/dbraw/zinc/04/31/40/369043140.db2.gz QTNBSNOMEBKZGT-WZYMTQMTSA-N 2 1 288.435 3.279 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036961218 369043143 /nfs/dbraw/zinc/04/31/43/369043143.db2.gz QTNBSNOMEBKZGT-WZYMTQMTSA-N 2 1 288.435 3.279 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000037107924 369063116 /nfs/dbraw/zinc/06/31/16/369063116.db2.gz CHROIXHAZUWLLI-HZTRTUMWSA-N 2 1 288.435 3.361 20 0 CGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649222 369095472 /nfs/dbraw/zinc/09/54/72/369095472.db2.gz HFIOMNXHUKDJQJ-BBRMVZONSA-N 2 1 288.460 3.297 20 0 CGADMP Fc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000037648900 369095841 /nfs/dbraw/zinc/09/58/41/369095841.db2.gz ZSYHRYMFCMBRSG-BZOOQXSSSA-N 2 1 288.410 3.146 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649443 369097352 /nfs/dbraw/zinc/09/73/52/369097352.db2.gz ICBBUUQHUYBJLY-CRAIPNDOSA-N 2 1 272.436 3.458 20 0 CGADMP COc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1 ZINC000037860282 369120898 /nfs/dbraw/zinc/12/08/98/369120898.db2.gz JWULADWDFJOTMA-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP COc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000037860282 369120904 /nfs/dbraw/zinc/12/09/04/369120904.db2.gz JWULADWDFJOTMA-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccncc1 ZINC000037901097 369123434 /nfs/dbraw/zinc/12/34/34/369123434.db2.gz ZOHWFVZWBJYKII-HNNXBMFYSA-N 2 1 275.440 3.387 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccncc1 ZINC000037901097 369123441 /nfs/dbraw/zinc/12/34/41/369123441.db2.gz ZOHWFVZWBJYKII-HNNXBMFYSA-N 2 1 275.440 3.387 20 0 CGADMP CCCC1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000037977197 369130080 /nfs/dbraw/zinc/13/00/80/369130080.db2.gz KMTICGZJEBRHCE-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(F)c2)CC1 ZINC000037758148 369104504 /nfs/dbraw/zinc/10/45/04/369104504.db2.gz YBBLMWRJCPGQJT-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000037786369 369113613 /nfs/dbraw/zinc/11/36/13/369113613.db2.gz MNYACOJASANNDD-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000041631613 369193499 /nfs/dbraw/zinc/19/34/99/369193499.db2.gz HFHGDZLDQSYRBX-STQMWFEESA-N 2 1 278.465 3.445 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)s1 ZINC000041632157 369194543 /nfs/dbraw/zinc/19/45/43/369194543.db2.gz CRSTXOCVFVWKAT-LBPRGKRZSA-N 2 1 266.454 3.445 20 0 CGADMP c1csc(C[N@H+](CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000042516943 369224020 /nfs/dbraw/zinc/22/40/20/369224020.db2.gz UNEWTXBSWRGILS-UHFFFAOYSA-N 2 1 264.438 3.102 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@H](C)[C@H]3C)CCCC2)CC1 ZINC000495090312 244355281 /nfs/dbraw/zinc/35/52/81/244355281.db2.gz HVTRCMJHCUNWKE-ZMSDIMECSA-N 2 1 294.483 3.044 20 0 CGADMP c1sc2ccccc2c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000047892368 369329724 /nfs/dbraw/zinc/32/97/24/369329724.db2.gz IDZRGARLZYLXKG-CYBMUJFWSA-N 2 1 286.444 3.475 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000050343230 369436327 /nfs/dbraw/zinc/43/63/27/369436327.db2.gz XSEAEAFNDSODGA-LLVKDONJSA-N 2 1 250.411 3.026 20 0 CGADMP CC(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000053657785 369488031 /nfs/dbraw/zinc/48/80/31/369488031.db2.gz WJPKUDXYXMHQOC-QGZVFWFLSA-N 2 1 260.425 3.144 20 0 CGADMP C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)C1CC1 ZINC000062010348 369613560 /nfs/dbraw/zinc/61/35/60/369613560.db2.gz IGRSHIZNCYBJJQ-UHFFFAOYSA-N 2 1 275.783 3.394 20 0 CGADMP C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)C1CC1 ZINC000062010348 369613564 /nfs/dbraw/zinc/61/35/64/369613564.db2.gz IGRSHIZNCYBJJQ-UHFFFAOYSA-N 2 1 275.783 3.394 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(C)o1 ZINC000062078289 369619514 /nfs/dbraw/zinc/61/95/14/369619514.db2.gz NCZOKRVMWDGEHP-OCCSQVGLSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000070101455 369780583 /nfs/dbraw/zinc/78/05/83/369780583.db2.gz ZYEGNFVOAAAKPS-OAHLLOKOSA-N 2 1 272.436 3.429 20 0 CGADMP C[NH2+]CCC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000070189847 369788772 /nfs/dbraw/zinc/78/87/72/369788772.db2.gz UQUBXXRDVBGIOJ-UHFFFAOYSA-N 2 1 295.496 3.262 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000076003607 369925212 /nfs/dbraw/zinc/92/52/12/369925212.db2.gz BDAYQQBYKANYME-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000076003607 369925215 /nfs/dbraw/zinc/92/52/15/369925215.db2.gz BDAYQQBYKANYME-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000090720536 370065374 /nfs/dbraw/zinc/06/53/74/370065374.db2.gz SOFFHQBGACKZMS-GOEBONIOSA-N 2 1 276.424 3.046 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000090714590 370065534 /nfs/dbraw/zinc/06/55/34/370065534.db2.gz VLXVUKBGONWZNK-ZIAGYGMSSA-N 2 1 294.826 3.065 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000090714590 370065536 /nfs/dbraw/zinc/06/55/36/370065536.db2.gz VLXVUKBGONWZNK-ZIAGYGMSSA-N 2 1 294.826 3.065 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000093093414 370108132 /nfs/dbraw/zinc/10/81/32/370108132.db2.gz XSXPUFWVNGBLPB-UHFFFAOYSA-N 2 1 272.845 3.364 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000093643771 370150877 /nfs/dbraw/zinc/15/08/77/370150877.db2.gz QZZYBYPRISVFCX-IUODEOHRSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3cc(F)ccc3o2)CC[N@H+]1C ZINC000093643771 370150879 /nfs/dbraw/zinc/15/08/79/370150879.db2.gz QZZYBYPRISVFCX-IUODEOHRSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3cc(F)ccc3o2)CC[NH+]1C ZINC000093643771 370150883 /nfs/dbraw/zinc/15/08/83/370150883.db2.gz QZZYBYPRISVFCX-IUODEOHRSA-N 2 1 290.382 3.486 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3cc(F)ccc3o2)CC[NH+]1C ZINC000093643771 370150886 /nfs/dbraw/zinc/15/08/86/370150886.db2.gz QZZYBYPRISVFCX-IUODEOHRSA-N 2 1 290.382 3.486 20 0 CGADMP COc1c(C)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644144 370151321 /nfs/dbraw/zinc/15/13/21/370151321.db2.gz RQQIDZFNXKVMGK-WBVHZDCISA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644144 370151323 /nfs/dbraw/zinc/15/13/23/370151323.db2.gz RQQIDZFNXKVMGK-WBVHZDCISA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093644144 370151327 /nfs/dbraw/zinc/15/13/27/370151327.db2.gz RQQIDZFNXKVMGK-WBVHZDCISA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093644144 370151333 /nfs/dbraw/zinc/15/13/33/370151333.db2.gz RQQIDZFNXKVMGK-WBVHZDCISA-N 2 1 290.451 3.227 20 0 CGADMP C[C@H]1C[C@@H](CC[NH2+]CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000513511546 245083283 /nfs/dbraw/zinc/08/32/83/245083283.db2.gz JQLSYHRBJSKIOJ-MAUKXSAKSA-N 2 1 272.436 3.287 20 0 CGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000114538144 370505955 /nfs/dbraw/zinc/50/59/55/370505955.db2.gz JZQVXVRUMZBRAH-HNNXBMFYSA-N 2 1 298.434 3.169 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000116379575 370558685 /nfs/dbraw/zinc/55/86/85/370558685.db2.gz DQKKHPMEPRBDDR-AWEZNQCLSA-N 2 1 252.402 3.044 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000129829020 371002937 /nfs/dbraw/zinc/00/29/37/371002937.db2.gz JTWLKOHHJOLUCX-USXIJHARSA-N 2 1 260.425 3.456 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000129829020 371002942 /nfs/dbraw/zinc/00/29/42/371002942.db2.gz JTWLKOHHJOLUCX-USXIJHARSA-N 2 1 260.425 3.456 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000132119951 371152861 /nfs/dbraw/zinc/15/28/61/371152861.db2.gz NNOIVAYOMCBNLQ-MRXNPFEDSA-N 2 1 290.451 3.386 20 0 CGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000421819873 371643225 /nfs/dbraw/zinc/64/32/25/371643225.db2.gz JKSFUFPYPLRZEO-ZDUSSCGKSA-N 2 1 296.842 3.485 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422564693 371752552 /nfs/dbraw/zinc/75/25/52/371752552.db2.gz WRFBWSJNVMLKHJ-AVGNSLFASA-N 2 1 281.469 3.072 20 0 CGADMP CC(C)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422564693 371752559 /nfs/dbraw/zinc/75/25/59/371752559.db2.gz WRFBWSJNVMLKHJ-AVGNSLFASA-N 2 1 281.469 3.072 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000422564155 371752995 /nfs/dbraw/zinc/75/29/95/371752995.db2.gz VOLDZJSFVUPTPI-SRIISGBFSA-N 2 1 272.436 3.095 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000289580809 371766029 /nfs/dbraw/zinc/76/60/29/371766029.db2.gz HJBHSQLTOHFFBC-MJGOQNOKSA-N 2 1 297.446 3.354 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422729719 371769526 /nfs/dbraw/zinc/76/95/26/371769526.db2.gz IMBIPEPBTMATDY-IKGGRYGDSA-N 2 1 258.409 3.184 20 0 CGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1ccccc1 ZINC000422736106 371774936 /nfs/dbraw/zinc/77/49/36/371774936.db2.gz XFTYNGDQJDLRSC-QFBILLFUSA-N 2 1 282.431 3.167 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422747336 371782853 /nfs/dbraw/zinc/78/28/53/371782853.db2.gz PWHMESXXKODHRR-LSDHHAIUSA-N 2 1 272.392 3.491 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC)cc1 ZINC000337321672 214006312 /nfs/dbraw/zinc/00/63/12/214006312.db2.gz CDPOKCKALNMXSM-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNc2ccccc2)c2ccccc21 ZINC000422757434 371788016 /nfs/dbraw/zinc/78/80/16/371788016.db2.gz MUABPIBQPRKMPJ-QZTJIDSGSA-N 2 1 281.403 3.223 20 0 CGADMP C[C@@H]([NH2+]CCCCOCc1ccccc1)c1c[nH+]ccc1N ZINC000422836892 371831767 /nfs/dbraw/zinc/83/17/67/371831767.db2.gz KWRVNXIQTDEUSZ-OAHLLOKOSA-N 2 1 299.418 3.142 20 0 CGADMP CC(C)[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422777708 371800713 /nfs/dbraw/zinc/80/07/13/371800713.db2.gz CTJLTHPGXJNLFO-UHOFOFEASA-N 2 1 264.388 3.253 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018310 371810107 /nfs/dbraw/zinc/81/01/07/371810107.db2.gz QJIUNUJISQWLOK-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018310 371810112 /nfs/dbraw/zinc/81/01/12/371810112.db2.gz QJIUNUJISQWLOK-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018310 371810123 /nfs/dbraw/zinc/81/01/23/371810123.db2.gz QJIUNUJISQWLOK-DYVFJYSZSA-N 2 1 296.405 3.169 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422868969 371846842 /nfs/dbraw/zinc/84/68/42/371846842.db2.gz WKDMHCSSWKOYFH-INIZCTEOSA-N 3 1 291.483 3.134 20 0 CGADMP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000422925422 371873780 /nfs/dbraw/zinc/87/37/80/371873780.db2.gz VCXZYYAWEKNRRQ-OALUTQOASA-N 2 1 296.414 3.332 20 0 CGADMP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423050088 371934598 /nfs/dbraw/zinc/93/45/98/371934598.db2.gz LGLOLCMKWJGRDL-OWLYRPNTSA-N 2 1 288.435 3.027 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCC(F)(F)F)CC[C@@H]21 ZINC000155780578 371945005 /nfs/dbraw/zinc/94/50/05/371945005.db2.gz YTSLYVPOQGLSQW-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCC(F)(F)F)CC[C@@H]21 ZINC000155780578 371945008 /nfs/dbraw/zinc/94/50/08/371945008.db2.gz YTSLYVPOQGLSQW-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCC(F)(F)F)CC[C@@H]21 ZINC000155780578 371945009 /nfs/dbraw/zinc/94/50/09/371945009.db2.gz YTSLYVPOQGLSQW-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Nc1ccccc1 ZINC000422980241 371898707 /nfs/dbraw/zinc/89/87/07/371898707.db2.gz OYVOIOZFWJXCIM-KBXCAEBGSA-N 2 1 298.434 3.281 20 0 CGADMP COc1cc(C)cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423004732 371909983 /nfs/dbraw/zinc/90/99/83/371909983.db2.gz PYTHJFRDRRNNBO-ROUUACIJSA-N 2 1 282.387 3.238 20 0 CGADMP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423006010 371912961 /nfs/dbraw/zinc/91/29/61/371912961.db2.gz UBNGRMRHEGQDFN-DOMZBBRYSA-N 2 1 296.842 3.216 20 0 CGADMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCCCC1 ZINC000423032080 371925066 /nfs/dbraw/zinc/92/50/66/371925066.db2.gz VOBOEFQBTGYNGA-GVDBMIGSSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423100544 371962551 /nfs/dbraw/zinc/96/25/51/371962551.db2.gz MXVUNQVEQYMNSH-VHBSBENZSA-N 2 1 296.817 3.313 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290348605 371969521 /nfs/dbraw/zinc/96/95/21/371969521.db2.gz FXCAECDXHVUQOX-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000290348605 371969526 /nfs/dbraw/zinc/96/95/26/371969526.db2.gz FXCAECDXHVUQOX-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000290348605 371969530 /nfs/dbraw/zinc/96/95/30/371969530.db2.gz FXCAECDXHVUQOX-FUHWJXTLSA-N 2 1 288.435 3.001 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353130 371970823 /nfs/dbraw/zinc/97/08/23/371970823.db2.gz GETOCYGKABTDJD-CRAIPNDOSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353130 371970830 /nfs/dbraw/zinc/97/08/30/371970830.db2.gz GETOCYGKABTDJD-CRAIPNDOSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353130 371970838 /nfs/dbraw/zinc/97/08/38/371970838.db2.gz GETOCYGKABTDJD-CRAIPNDOSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccc(C[N@@H+](CCO)CCCc2cnccc2C)cc1 ZINC000290389160 371979476 /nfs/dbraw/zinc/97/94/76/371979476.db2.gz OMRKOVKUAZAAMT-UHFFFAOYSA-N 2 1 298.430 3.126 20 0 CGADMP Clc1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000423162294 371996355 /nfs/dbraw/zinc/99/63/55/371996355.db2.gz OZWCGYTZHLYNBW-FVQBIDKESA-N 2 1 278.827 3.318 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188222 372015205 /nfs/dbraw/zinc/01/52/05/372015205.db2.gz NGTJGMPOVOSWCT-SJORKVTESA-N 2 1 275.440 3.120 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581932 372023050 /nfs/dbraw/zinc/02/30/50/372023050.db2.gz UPYFFEBHUKGHRQ-NHYWBVRUSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581932 372023052 /nfs/dbraw/zinc/02/30/52/372023052.db2.gz UPYFFEBHUKGHRQ-NHYWBVRUSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581932 372023055 /nfs/dbraw/zinc/02/30/55/372023055.db2.gz UPYFFEBHUKGHRQ-NHYWBVRUSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581932 372023058 /nfs/dbraw/zinc/02/30/58/372023058.db2.gz UPYFFEBHUKGHRQ-NHYWBVRUSA-N 2 1 284.806 3.251 20 0 CGADMP C[NH2+]CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423200751 372025041 /nfs/dbraw/zinc/02/50/41/372025041.db2.gz NBJXGFLXJNAYBF-LBPRGKRZSA-N 2 1 273.207 3.180 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CCCCCC1 ZINC000423205475 372028451 /nfs/dbraw/zinc/02/84/51/372028451.db2.gz VUMYFOMXTCIEKD-KRWDZBQOSA-N 2 1 288.435 3.411 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2c(c1)OCO2 ZINC000423205471 372028907 /nfs/dbraw/zinc/02/89/07/372028907.db2.gz VTGRRATZZNZOBG-CYBMUJFWSA-N 2 1 290.407 3.118 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(F)(F)F)[C@H](C)C1 ZINC000157674336 372033080 /nfs/dbraw/zinc/03/30/80/372033080.db2.gz AUMHSKSKEGMYQQ-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(F)(F)F)[C@H](C)C1 ZINC000157674336 372033081 /nfs/dbraw/zinc/03/30/81/372033081.db2.gz AUMHSKSKEGMYQQ-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)[C@H](C)C1 ZINC000157674336 372033082 /nfs/dbraw/zinc/03/30/82/372033082.db2.gz AUMHSKSKEGMYQQ-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c2ccccc12 ZINC000423279033 372046796 /nfs/dbraw/zinc/04/67/96/372046796.db2.gz QVTZTFUQWKMPLM-SJKOYZFVSA-N 2 1 284.403 3.236 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423285445 372048196 /nfs/dbraw/zinc/04/81/96/372048196.db2.gz YCAGAEDDPNHVCL-BLLLJJGKSA-N 2 1 260.425 3.372 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])c2cccc(Br)c21 ZINC000423281489 372048245 /nfs/dbraw/zinc/04/82/45/372048245.db2.gz BJYVTQVEDIBTEC-JOYOIKCWSA-N 2 1 297.240 3.324 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423281994 372048261 /nfs/dbraw/zinc/04/82/61/372048261.db2.gz WAYIGAUAIMHMHL-SCVCMEIPSA-N 2 1 270.467 3.119 20 0 CGADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423378747 372058810 /nfs/dbraw/zinc/05/88/10/372058810.db2.gz ZSQZOXFXZGZAOT-CEXWTWQISA-N 2 1 293.414 3.381 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000423178508 372007000 /nfs/dbraw/zinc/00/70/00/372007000.db2.gz KRTUHBSRDGAIIR-ZDUSSCGKSA-N 2 1 262.397 3.007 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180643 372008833 /nfs/dbraw/zinc/00/88/33/372008833.db2.gz BKDXUWUMBDVHHL-JQHSSLGASA-N 2 1 289.467 3.366 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCSCc1ccccc1 ZINC000290542267 372013132 /nfs/dbraw/zinc/01/31/32/372013132.db2.gz RHKXCVNVQJVODD-DOTOQJQBSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCSCc1ccccc1 ZINC000290542267 372013137 /nfs/dbraw/zinc/01/31/37/372013137.db2.gz RHKXCVNVQJVODD-DOTOQJQBSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCSCc1ccccc1 ZINC000290542267 372013142 /nfs/dbraw/zinc/01/31/42/372013142.db2.gz RHKXCVNVQJVODD-DOTOQJQBSA-N 2 1 292.492 3.192 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCSCc1ccccc1 ZINC000290542267 372013146 /nfs/dbraw/zinc/01/31/46/372013146.db2.gz RHKXCVNVQJVODD-DOTOQJQBSA-N 2 1 292.492 3.192 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccsc1 ZINC000423187315 372014570 /nfs/dbraw/zinc/01/45/70/372014570.db2.gz MJFLRIYGTNSDAW-INIZCTEOSA-N 2 1 289.448 3.364 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000423517996 372069864 /nfs/dbraw/zinc/06/98/64/372069864.db2.gz YZLRYNYTWPQJLH-BZUAXINKSA-N 2 1 252.446 3.308 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCC1CCCC1)CC[NH2+]CC2 ZINC000424302389 372082257 /nfs/dbraw/zinc/08/22/57/372082257.db2.gz ZJIFEXFXCCWVQF-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000424337844 372083274 /nfs/dbraw/zinc/08/32/74/372083274.db2.gz SIPDHTOXKRGCJB-CHWSQXEVSA-N 2 1 272.314 3.065 20 0 CGADMP CCC[C@@H](NC[C@@H]1CC[N@@H+](CCC)C1)c1ccccn1 ZINC000158770085 372084728 /nfs/dbraw/zinc/08/47/28/372084728.db2.gz OKVWHZBEXXHEOS-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1ccccn1 ZINC000158770085 372084732 /nfs/dbraw/zinc/08/47/32/372084732.db2.gz OKVWHZBEXXHEOS-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ccccn1 ZINC000158770085 372084738 /nfs/dbraw/zinc/08/47/38/372084738.db2.gz OKVWHZBEXXHEOS-JKSUJKDBSA-N 2 1 275.440 3.244 20 0 CGADMP FCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159014272 372098705 /nfs/dbraw/zinc/09/87/05/372098705.db2.gz YOFJTUHOJPDPMK-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP FCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159014272 372098709 /nfs/dbraw/zinc/09/87/09/372098709.db2.gz YOFJTUHOJPDPMK-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP FCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159014272 372098714 /nfs/dbraw/zinc/09/87/14/372098714.db2.gz YOFJTUHOJPDPMK-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@H](c1cccc(F)c1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292991137 372271325 /nfs/dbraw/zinc/27/13/25/372271325.db2.gz OALMDUGCEIMLKG-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292991137 372271330 /nfs/dbraw/zinc/27/13/30/372271330.db2.gz OALMDUGCEIMLKG-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292991137 372271336 /nfs/dbraw/zinc/27/13/36/372271336.db2.gz OALMDUGCEIMLKG-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292991137 372271342 /nfs/dbraw/zinc/27/13/42/372271342.db2.gz OALMDUGCEIMLKG-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292991137 372271347 /nfs/dbraw/zinc/27/13/47/372271347.db2.gz OALMDUGCEIMLKG-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292991137 372271351 /nfs/dbraw/zinc/27/13/51/372271351.db2.gz OALMDUGCEIMLKG-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292991137 372271355 /nfs/dbraw/zinc/27/13/55/372271355.db2.gz OALMDUGCEIMLKG-YOEHRIQHSA-N 2 1 276.399 3.304 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430601428 372391790 /nfs/dbraw/zinc/39/17/90/372391790.db2.gz UEEVABDVLBNZIW-CZUORRHYSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430601428 372391799 /nfs/dbraw/zinc/39/17/99/372391799.db2.gz UEEVABDVLBNZIW-CZUORRHYSA-N 2 1 299.418 3.209 20 0 CGADMP CCC[N@@H+](CCc1ccc(CC)cc1)C1CC[NH2+]CC1 ZINC000431081306 372424352 /nfs/dbraw/zinc/42/43/52/372424352.db2.gz DTJHTTDGRHFVKR-UHFFFAOYSA-N 2 1 274.452 3.256 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000163305457 372460219 /nfs/dbraw/zinc/46/02/19/372460219.db2.gz CCYGPIRQENUEGR-OALUTQOASA-N 2 1 288.479 3.494 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000164685917 372529228 /nfs/dbraw/zinc/52/92/28/372529228.db2.gz PKOLASIUWBONBT-CYBMUJFWSA-N 2 1 275.371 3.462 20 0 CGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000166283918 372570433 /nfs/dbraw/zinc/57/04/33/372570433.db2.gz UYGBQERXORCOSC-LBTNJELSSA-N 2 1 290.451 3.117 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166458797 372574350 /nfs/dbraw/zinc/57/43/50/372574350.db2.gz JRBBCTHWIGTMSZ-HZPDHXFCSA-N 2 1 297.446 3.235 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000167107630 372590329 /nfs/dbraw/zinc/59/03/29/372590329.db2.gz YIFWDZLWPLEGIL-MLGOLLRUSA-N 2 1 296.455 3.261 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000167107630 372590333 /nfs/dbraw/zinc/59/03/33/372590333.db2.gz YIFWDZLWPLEGIL-MLGOLLRUSA-N 2 1 296.455 3.261 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)[NH+]1CCCC1 ZINC000434784949 372709738 /nfs/dbraw/zinc/70/97/38/372709738.db2.gz OIOGHXHSZDIUPC-RRFJBIMHSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+](Cc1cnc(C(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435386858 372756029 /nfs/dbraw/zinc/75/60/29/372756029.db2.gz VRZIJRBGIQNUBZ-ZDUSSCGKSA-N 2 1 281.469 3.231 20 0 CGADMP CC[N@@H+](Cc1cnc(C(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435386858 372756034 /nfs/dbraw/zinc/75/60/34/372756034.db2.gz VRZIJRBGIQNUBZ-ZDUSSCGKSA-N 2 1 281.469 3.231 20 0 CGADMP CCC[C@H](C)C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435427383 372762582 /nfs/dbraw/zinc/76/25/82/372762582.db2.gz LQGPJTDEEXINQZ-ZFWWWQNUSA-N 2 1 295.496 3.299 20 0 CGADMP CC[N@@H+](CCc1ccc(C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611678 372783689 /nfs/dbraw/zinc/78/36/89/372783689.db2.gz BTJVJAZIILLBQJ-QGZVFWFLSA-N 2 1 260.425 3.002 20 0 CGADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000435878393 372824500 /nfs/dbraw/zinc/82/45/00/372824500.db2.gz BIOBBGLHITXIKY-AWEZNQCLSA-N 2 1 252.789 3.086 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000435878393 372824506 /nfs/dbraw/zinc/82/45/06/372824506.db2.gz BIOBBGLHITXIKY-AWEZNQCLSA-N 2 1 252.789 3.086 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CSC[C@H]1C ZINC000295514492 372812366 /nfs/dbraw/zinc/81/23/66/372812366.db2.gz VCJNDEGYTIYYQJ-RHSMWYFYSA-N 2 1 292.492 3.368 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000344624555 217253290 /nfs/dbraw/zinc/25/32/90/217253290.db2.gz JDZKOKNIBUVGNW-HNAYVOBHSA-N 2 1 295.430 3.321 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437344128 372846543 /nfs/dbraw/zinc/84/65/43/372846543.db2.gz LTOUNJNLDZUOJN-IJEWVQPXSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000353462805 220098149 /nfs/dbraw/zinc/09/81/49/220098149.db2.gz PIAHMSWPJKOFRC-OIISXLGYSA-N 2 1 276.399 3.097 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344646945 217259907 /nfs/dbraw/zinc/25/99/07/217259907.db2.gz WDXXYDODHYMCAB-JKSUJKDBSA-N 2 1 277.456 3.107 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344646945 217259908 /nfs/dbraw/zinc/25/99/08/217259908.db2.gz WDXXYDODHYMCAB-JKSUJKDBSA-N 2 1 277.456 3.107 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000438085032 372873171 /nfs/dbraw/zinc/87/31/71/372873171.db2.gz LYLOXEJMKIQZKX-PMPSAXMXSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000438085032 372873176 /nfs/dbraw/zinc/87/31/76/372873176.db2.gz LYLOXEJMKIQZKX-PMPSAXMXSA-N 2 1 292.442 3.467 20 0 CGADMP CCc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000172247163 372930514 /nfs/dbraw/zinc/93/05/14/372930514.db2.gz LWBVFWHNPGPDOR-UHFFFAOYSA-N 2 1 260.425 3.211 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1CCC2 ZINC000172646706 373001259 /nfs/dbraw/zinc/00/12/59/373001259.db2.gz VVNJPMSVAYIWNM-KRWDZBQOSA-N 2 1 284.447 3.093 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CC(C)(C)C)cn1 ZINC000296493046 373153786 /nfs/dbraw/zinc/15/37/86/373153786.db2.gz QNZCWJPLLFTBRQ-CYBMUJFWSA-N 2 1 286.423 3.490 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442889762 373122102 /nfs/dbraw/zinc/12/21/02/373122102.db2.gz LMHGUMJKWDHALX-IRXDYDNUSA-N 2 1 297.531 3.063 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442919045 373128461 /nfs/dbraw/zinc/12/84/61/373128461.db2.gz ILSLDQAMBGPPEM-INIZCTEOSA-N 2 1 290.451 3.426 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000173388902 373135802 /nfs/dbraw/zinc/13/58/02/373135802.db2.gz UAOXXKQRVXXCQU-JKSUJKDBSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CC=CCC1 ZINC000444609931 373212453 /nfs/dbraw/zinc/21/24/53/373212453.db2.gz OWFGLMNBKYSXJZ-INIZCTEOSA-N 2 1 250.430 3.151 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccccc2C)C1 ZINC000173902449 373212983 /nfs/dbraw/zinc/21/29/83/373212983.db2.gz XLXDDCDURDPJLM-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC000173902449 373212986 /nfs/dbraw/zinc/21/29/86/373212986.db2.gz XLXDDCDURDPJLM-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000173902449 373212989 /nfs/dbraw/zinc/21/29/89/373212989.db2.gz XLXDDCDURDPJLM-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCCC1)CCc1cccs1 ZINC000444567970 373203454 /nfs/dbraw/zinc/20/34/54/373203454.db2.gz AYOIDNLIPDNTHM-UHFFFAOYSA-N 2 1 280.481 3.489 20 0 CGADMP COCC[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000444585210 373204398 /nfs/dbraw/zinc/20/43/98/373204398.db2.gz XYFYQTYDVLIOGR-UHFFFAOYSA-N 2 1 290.451 3.011 20 0 CGADMP COCC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000444585210 373204403 /nfs/dbraw/zinc/20/44/03/373204403.db2.gz XYFYQTYDVLIOGR-UHFFFAOYSA-N 2 1 290.451 3.011 20 0 CGADMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444681197 373233034 /nfs/dbraw/zinc/23/30/34/373233034.db2.gz YTBLYDOCLITNRJ-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000445207247 373296722 /nfs/dbraw/zinc/29/67/22/373296722.db2.gz IZHDMUHZOXCRLJ-CZUORRHYSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCc1ccc(Cl)cc1 ZINC000445207247 373296728 /nfs/dbraw/zinc/29/67/28/373296728.db2.gz IZHDMUHZOXCRLJ-CZUORRHYSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCc1ccc(Cl)cc1 ZINC000445207247 373296735 /nfs/dbraw/zinc/29/67/35/373296735.db2.gz IZHDMUHZOXCRLJ-CZUORRHYSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCc1ccc(Cl)cc1 ZINC000445207247 373296740 /nfs/dbraw/zinc/29/67/40/373296740.db2.gz IZHDMUHZOXCRLJ-CZUORRHYSA-N 2 1 280.843 3.155 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000445207247 373296746 /nfs/dbraw/zinc/29/67/46/373296746.db2.gz IZHDMUHZOXCRLJ-CZUORRHYSA-N 2 1 280.843 3.155 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000174350417 373297479 /nfs/dbraw/zinc/29/74/79/373297479.db2.gz QIASINFRVQBZPT-ZDUSSCGKSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298360455 373302279 /nfs/dbraw/zinc/30/22/79/373302279.db2.gz KERVKDFVPKNPIH-UHFFFAOYSA-N 2 1 286.463 3.489 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000445904335 373317345 /nfs/dbraw/zinc/31/73/45/373317345.db2.gz PSQILVOGKXJTHE-RYUDHWBXSA-N 2 1 266.351 3.037 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000300244178 373621987 /nfs/dbraw/zinc/62/19/87/373621987.db2.gz VKJBMFYBHKKMFX-OCCSQVGLSA-N 2 1 266.816 3.221 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300239259 373622377 /nfs/dbraw/zinc/62/23/77/373622377.db2.gz QKBUUOIATWZZPT-TWMKSMIVSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000300409953 373626665 /nfs/dbraw/zinc/62/66/65/373626665.db2.gz CSZDACNCHCBHDM-WBMJQRKESA-N 2 1 280.843 3.127 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000300409953 373626674 /nfs/dbraw/zinc/62/66/74/373626674.db2.gz CSZDACNCHCBHDM-WBMJQRKESA-N 2 1 280.843 3.127 20 0 CGADMP C[N@@H+](CCNc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 ZINC000301058695 373643211 /nfs/dbraw/zinc/64/32/11/373643211.db2.gz DCGORIWZHWKFFP-UHFFFAOYSA-N 2 1 298.365 3.246 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccc(F)cc2)CC[N@@H+]1C ZINC000177060966 373654122 /nfs/dbraw/zinc/65/41/22/373654122.db2.gz WZYYPLHMRYTBKD-DZGCQCFKSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccc(F)cc2)CC[N@H+]1C ZINC000177060966 373654126 /nfs/dbraw/zinc/65/41/26/373654126.db2.gz WZYYPLHMRYTBKD-DZGCQCFKSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCSc2ccc(F)cc2)CC[NH+]1C ZINC000177060966 373654133 /nfs/dbraw/zinc/65/41/33/373654133.db2.gz WZYYPLHMRYTBKD-DZGCQCFKSA-N 2 1 296.455 3.332 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCSc2ccc(F)cc2)CC[NH+]1C ZINC000177060966 373654139 /nfs/dbraw/zinc/65/41/39/373654139.db2.gz WZYYPLHMRYTBKD-DZGCQCFKSA-N 2 1 296.455 3.332 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300078576 373618151 /nfs/dbraw/zinc/61/81/51/373618151.db2.gz MBLWCMUHBLLFKB-HJWJTTGWSA-N 2 1 262.441 3.195 20 0 CGADMP C[C@H]1CSC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449085052 373660554 /nfs/dbraw/zinc/66/05/54/373660554.db2.gz ZYBJQZOARZSDQW-FZKCQIBNSA-N 2 1 284.513 3.086 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449209053 373670886 /nfs/dbraw/zinc/67/08/86/373670886.db2.gz RQYYNDOWYLFVKQ-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449209053 373670892 /nfs/dbraw/zinc/67/08/92/373670892.db2.gz RQYYNDOWYLFVKQ-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP Cc1cc(NC[C@H](C2CCCCC2)[NH+](C)C)nc(C)[nH+]1 ZINC000301130120 373672119 /nfs/dbraw/zinc/67/21/19/373672119.db2.gz ZUKZNWADLCYUAQ-OAHLLOKOSA-N 2 1 276.428 3.016 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000449285041 373676049 /nfs/dbraw/zinc/67/60/49/373676049.db2.gz QNIBVIYYSCXLHJ-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000449285041 373676057 /nfs/dbraw/zinc/67/60/57/373676057.db2.gz QNIBVIYYSCXLHJ-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000301278897 373727005 /nfs/dbraw/zinc/72/70/05/373727005.db2.gz LQXDUSOFAZAZOO-ZDUSSCGKSA-N 2 1 289.810 3.419 20 0 CGADMP COC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C(C)C ZINC000177979304 373732690 /nfs/dbraw/zinc/73/26/90/373732690.db2.gz YMYUVWKYSZQZTJ-SFHVURJKSA-N 2 1 292.467 3.287 20 0 CGADMP CCC[N@@H+](CCc1cccc(F)c1)CC1CC[NH2+]CC1 ZINC000178973624 373823731 /nfs/dbraw/zinc/82/37/31/373823731.db2.gz BHRWUDVZKJVCSH-UHFFFAOYSA-N 2 1 278.415 3.080 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000179536034 373882756 /nfs/dbraw/zinc/88/27/56/373882756.db2.gz KRIMKEXKXKGOEZ-CHWSQXEVSA-N 2 1 295.496 3.055 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000450437547 374128901 /nfs/dbraw/zinc/12/89/01/374128901.db2.gz LBQPKCUEUYLTJU-LSDHHAIUSA-N 2 1 286.410 3.230 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450458840 374144886 /nfs/dbraw/zinc/14/48/86/374144886.db2.gz YVXFDMSXKODQGX-QGZVFWFLSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450458840 374144893 /nfs/dbraw/zinc/14/48/93/374144893.db2.gz YVXFDMSXKODQGX-QGZVFWFLSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450458840 374144899 /nfs/dbraw/zinc/14/48/99/374144899.db2.gz YVXFDMSXKODQGX-QGZVFWFLSA-N 2 1 262.441 3.151 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC(=O)c2ccccc2)CCN1C ZINC000450465078 374148111 /nfs/dbraw/zinc/14/81/11/374148111.db2.gz DBKRTGIUXYTPJW-WBVHZDCISA-N 2 1 288.435 3.064 20 0 CGADMP C1=C(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450605215 374165310 /nfs/dbraw/zinc/16/53/10/374165310.db2.gz YUONRRHPSJPHHY-FUHWJXTLSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450605215 374165318 /nfs/dbraw/zinc/16/53/18/374165318.db2.gz YUONRRHPSJPHHY-FUHWJXTLSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000450605215 374165323 /nfs/dbraw/zinc/16/53/23/374165323.db2.gz YUONRRHPSJPHHY-FUHWJXTLSA-N 2 1 274.452 3.436 20 0 CGADMP C1=C(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000450605215 374165329 /nfs/dbraw/zinc/16/53/29/374165329.db2.gz YUONRRHPSJPHHY-FUHWJXTLSA-N 2 1 274.452 3.436 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000308635473 374174327 /nfs/dbraw/zinc/17/43/27/374174327.db2.gz OBIKTTZDMGWGIK-ZDUSSCGKSA-N 2 1 274.399 3.276 20 0 CGADMP CCSCC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309705770 374193302 /nfs/dbraw/zinc/19/33/02/374193302.db2.gz HQOGKJHLRVEHOB-QGZVFWFLSA-N 2 1 292.492 3.241 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]c(C)c1Cl ZINC000310548064 374218581 /nfs/dbraw/zinc/21/85/81/374218581.db2.gz SXXQBGSQYBBMND-JTQLQIEISA-N 2 1 255.793 3.186 20 0 CGADMP Cc1[nH+]ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000311062525 374230936 /nfs/dbraw/zinc/23/09/36/374230936.db2.gz SSSNTLGCTVORRJ-RYUDHWBXSA-N 2 1 265.788 3.082 20 0 CGADMP CCc1ccc([C@@H](CC)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000312483704 374280215 /nfs/dbraw/zinc/28/02/15/374280215.db2.gz USMBETDUHZRIDS-QGZVFWFLSA-N 2 1 271.408 3.495 20 0 CGADMP CC[C@@H](F)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452126272 374242918 /nfs/dbraw/zinc/24/29/18/374242918.db2.gz ZUERDDXNTVCHDQ-LLVKDONJSA-N 2 1 284.341 3.083 20 0 CGADMP CC[C@@H](F)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452126272 374242921 /nfs/dbraw/zinc/24/29/21/374242921.db2.gz ZUERDDXNTVCHDQ-LLVKDONJSA-N 2 1 284.341 3.083 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000312512060 374282104 /nfs/dbraw/zinc/28/21/04/374282104.db2.gz JUNJFQHKGIIWLQ-GVDBMIGSSA-N 2 1 272.436 3.214 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802640 374332918 /nfs/dbraw/zinc/33/29/18/374332918.db2.gz BCPYFMHWAJEZMQ-RDTXWAMCSA-N 2 1 297.446 3.477 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000453060785 374362921 /nfs/dbraw/zinc/36/29/21/374362921.db2.gz OGWQQNPSRQFVGR-RTBURBONSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000453060785 374362929 /nfs/dbraw/zinc/36/29/29/374362929.db2.gz OGWQQNPSRQFVGR-RTBURBONSA-N 2 1 284.447 3.150 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CCC1 ZINC000322497146 374352718 /nfs/dbraw/zinc/35/27/18/374352718.db2.gz CRBYFBDNKRQAPZ-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000183339874 374403539 /nfs/dbraw/zinc/40/35/39/374403539.db2.gz XXMIPRVDUDFGRZ-VYDXJSESSA-N 2 1 260.425 3.253 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086904454 541940339 /nfs/dbraw/zinc/94/03/39/541940339.db2.gz KAEZTXTXOYKGNC-PMPSAXMXSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000086907447 541942376 /nfs/dbraw/zinc/94/23/76/541942376.db2.gz RGEIPQFWBHRIFL-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000453376050 374460770 /nfs/dbraw/zinc/46/07/70/374460770.db2.gz PJXLVXJKHLPGCT-MWQQHZPXSA-N 2 1 288.435 3.014 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000453376050 374460777 /nfs/dbraw/zinc/46/07/77/374460777.db2.gz PJXLVXJKHLPGCT-MWQQHZPXSA-N 2 1 288.435 3.014 20 0 CGADMP CSCC1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453399219 374472434 /nfs/dbraw/zinc/47/24/34/374472434.db2.gz LCQJUBMWXPYIBA-UHFFFAOYSA-N 2 1 284.513 3.372 20 0 CGADMP CCn1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000185159648 374600154 /nfs/dbraw/zinc/60/01/54/374600154.db2.gz NEQSZGCLFLPKDV-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccnc1 ZINC000185074736 374584519 /nfs/dbraw/zinc/58/45/19/374584519.db2.gz NBLVXYOGQWPVRP-GOSISDBHSA-N 2 1 287.451 3.387 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185218854 374613332 /nfs/dbraw/zinc/61/33/32/374613332.db2.gz BWQUZRONXHNNEN-IMJJTQAJSA-N 2 1 293.455 3.009 20 0 CGADMP C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687203 374715362 /nfs/dbraw/zinc/71/53/62/374715362.db2.gz XTYRGLQPXJELKS-AEFFLSMTSA-N 2 1 286.463 3.472 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000186225731 374819204 /nfs/dbraw/zinc/81/92/04/374819204.db2.gz PXBAZMXPNPMUNZ-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000186225731 374819211 /nfs/dbraw/zinc/81/92/11/374819211.db2.gz PXBAZMXPNPMUNZ-HNNXBMFYSA-N 2 1 278.465 3.182 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000459781821 374820690 /nfs/dbraw/zinc/82/06/90/374820690.db2.gz MOQQCBVCFZSSPQ-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000459783949 374820800 /nfs/dbraw/zinc/82/08/00/374820800.db2.gz NNMUBPXFBAAGTP-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000186470146 374857816 /nfs/dbraw/zinc/85/78/16/374857816.db2.gz MBDMEWPCTOCPHE-CQSZACIVSA-N 2 1 278.465 3.159 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000334671125 374959225 /nfs/dbraw/zinc/95/92/25/374959225.db2.gz NPTRCWSQRBPPRA-INIZCTEOSA-N 2 1 282.497 3.080 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1CCSCC1 ZINC000187246101 374992500 /nfs/dbraw/zinc/99/25/00/374992500.db2.gz AACJXUSATHPMGQ-ZDUSSCGKSA-N 2 1 281.469 3.093 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938614 375039195 /nfs/dbraw/zinc/03/91/95/375039195.db2.gz KQWMCWPRHCMPQE-SJLPKXTDSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938614 375039205 /nfs/dbraw/zinc/03/92/05/375039205.db2.gz KQWMCWPRHCMPQE-SJLPKXTDSA-N 2 1 290.426 3.489 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938614 375039209 /nfs/dbraw/zinc/03/92/09/375039209.db2.gz KQWMCWPRHCMPQE-SJLPKXTDSA-N 2 1 290.426 3.489 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000187737696 375083184 /nfs/dbraw/zinc/08/31/84/375083184.db2.gz GNKOUUAJUBKZAS-KBPBESRZSA-N 2 1 266.404 3.077 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000474344086 375098576 /nfs/dbraw/zinc/09/85/76/375098576.db2.gz GFJRYCHFFOMLEE-CYBMUJFWSA-N 2 1 292.854 3.476 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000474344086 375098586 /nfs/dbraw/zinc/09/85/86/375098586.db2.gz GFJRYCHFFOMLEE-CYBMUJFWSA-N 2 1 292.854 3.476 20 0 CGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000111149309 296226326 /nfs/dbraw/zinc/22/63/26/296226326.db2.gz HWBRLYNVZRXNCM-CWRNSKLLSA-N 2 1 272.436 3.196 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131670364 296226541 /nfs/dbraw/zinc/22/65/41/296226541.db2.gz UHXRLOGLVKCSQJ-GRYCIOLGSA-N 2 1 286.341 3.436 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000474483377 375115570 /nfs/dbraw/zinc/11/55/70/375115570.db2.gz VYSBDYDHGTUYKL-JKSUJKDBSA-N 2 1 284.488 3.149 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000335805205 375444787 /nfs/dbraw/zinc/44/47/87/375444787.db2.gz QXXXYKIZIAOTCR-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000335805205 375444791 /nfs/dbraw/zinc/44/47/91/375444791.db2.gz QXXXYKIZIAOTCR-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP Clc1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000336004163 375609709 /nfs/dbraw/zinc/60/97/09/375609709.db2.gz GPLYEICYFVUUSS-VIFPVBQESA-N 2 1 296.201 3.364 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)C[NH+]1CCCC1 ZINC000121100632 542015230 /nfs/dbraw/zinc/01/52/30/542015230.db2.gz GJAXXDUJIKQDJM-SJKOYZFVSA-N 2 1 294.389 3.274 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000502415239 375644695 /nfs/dbraw/zinc/64/46/95/375644695.db2.gz LWFKMVDBXSJIQF-FGTMMUONSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccsc1 ZINC000122565653 542023799 /nfs/dbraw/zinc/02/37/99/542023799.db2.gz SPOYTYQIBSNKPI-UHFFFAOYSA-N 2 1 263.410 3.165 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccsc1 ZINC000122565653 542023801 /nfs/dbraw/zinc/02/38/01/542023801.db2.gz SPOYTYQIBSNKPI-UHFFFAOYSA-N 2 1 263.410 3.165 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000507509505 375710747 /nfs/dbraw/zinc/71/07/47/375710747.db2.gz LDKPBLMPJJAURO-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000507509505 375710756 /nfs/dbraw/zinc/71/07/56/375710756.db2.gz LDKPBLMPJJAURO-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000507524704 375712083 /nfs/dbraw/zinc/71/20/83/375712083.db2.gz JSWFPWAKWBRCDX-CABCVRRESA-N 2 1 252.446 3.299 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCC1 ZINC000129002732 542055121 /nfs/dbraw/zinc/05/51/21/542055121.db2.gz VSTGMOZAKJJKHW-MRXNPFEDSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H](C[NH2+]Cc1sccc1Cl)C[NH+]1CCCC1 ZINC000193012590 375815950 /nfs/dbraw/zinc/81/59/50/375815950.db2.gz FQIWCDRNKJJDRM-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000193139032 375832393 /nfs/dbraw/zinc/83/23/93/375832393.db2.gz JODLCTZEEOISJH-RYUDHWBXSA-N 2 1 272.845 3.364 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)CCC1CCCCC1 ZINC000520598943 375865884 /nfs/dbraw/zinc/86/58/84/375865884.db2.gz VXPRPZIXROPCBP-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC1CCCCC1 ZINC000520598943 375865888 /nfs/dbraw/zinc/86/58/88/375865888.db2.gz VXPRPZIXROPCBP-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC1CCCCC1 ZINC000520598943 375865895 /nfs/dbraw/zinc/86/58/95/375865895.db2.gz VXPRPZIXROPCBP-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC1CCCCC1 ZINC000520598943 375865899 /nfs/dbraw/zinc/86/58/99/375865899.db2.gz VXPRPZIXROPCBP-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC1CCCCC1 ZINC000520598943 375865902 /nfs/dbraw/zinc/86/59/02/375865902.db2.gz VXPRPZIXROPCBP-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)C[NH+](C)C ZINC000336715287 375916206 /nfs/dbraw/zinc/91/62/06/375916206.db2.gz PLXXBNBZSVTPHZ-RYUDHWBXSA-N 2 1 254.805 3.188 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)C[NH+](C)C ZINC000336715283 375916573 /nfs/dbraw/zinc/91/65/73/375916573.db2.gz PLXXBNBZSVTPHZ-NEPJUHHUSA-N 2 1 254.805 3.188 20 0 CGADMP Cc1sccc1CNCCC[N@@H+]1CCCC[C@@H]1C ZINC000336788442 375938607 /nfs/dbraw/zinc/93/86/07/375938607.db2.gz HCIFVISPLYCIDL-ZDUSSCGKSA-N 2 1 266.454 3.411 20 0 CGADMP Cc1sccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000336788442 375938609 /nfs/dbraw/zinc/93/86/09/375938609.db2.gz HCIFVISPLYCIDL-ZDUSSCGKSA-N 2 1 266.454 3.411 20 0 CGADMP Cc1sccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000336788442 375938613 /nfs/dbraw/zinc/93/86/13/375938613.db2.gz HCIFVISPLYCIDL-ZDUSSCGKSA-N 2 1 266.454 3.411 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336844998 376007580 /nfs/dbraw/zinc/00/75/80/376007580.db2.gz LLQWOAKHNVUYAV-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336844998 376007584 /nfs/dbraw/zinc/00/75/84/376007584.db2.gz LLQWOAKHNVUYAV-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP COC(C)(C)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336844998 376007588 /nfs/dbraw/zinc/00/75/88/376007588.db2.gz LLQWOAKHNVUYAV-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000535051618 376016090 /nfs/dbraw/zinc/01/60/90/376016090.db2.gz JHAZJROSCUCUNQ-QGZVFWFLSA-N 2 1 284.407 3.204 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000535051618 376016096 /nfs/dbraw/zinc/01/60/96/376016096.db2.gz JHAZJROSCUCUNQ-QGZVFWFLSA-N 2 1 284.407 3.204 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000535051618 376016102 /nfs/dbraw/zinc/01/61/02/376016102.db2.gz JHAZJROSCUCUNQ-QGZVFWFLSA-N 2 1 284.407 3.204 20 0 CGADMP CCc1ccc(CC[N@H+]2CC[C@H](c3nccn3C)C2)cc1 ZINC000535307011 376032458 /nfs/dbraw/zinc/03/24/58/376032458.db2.gz FEQBTYOCIPOAIT-KRWDZBQOSA-N 2 1 283.419 3.015 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000535468157 376038684 /nfs/dbraw/zinc/03/86/84/376038684.db2.gz HTYNGEXWEJWRDY-ZWKOTPCHSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000535468157 376038695 /nfs/dbraw/zinc/03/86/95/376038695.db2.gz HTYNGEXWEJWRDY-ZWKOTPCHSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000535468157 376038701 /nfs/dbraw/zinc/03/87/01/376038701.db2.gz HTYNGEXWEJWRDY-ZWKOTPCHSA-N 2 1 274.452 3.424 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261548034 296239113 /nfs/dbraw/zinc/23/91/13/296239113.db2.gz IZNBBYNWASVMRF-SMDDNHRTSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261548034 296239115 /nfs/dbraw/zinc/23/91/15/296239115.db2.gz IZNBBYNWASVMRF-SMDDNHRTSA-N 2 1 252.789 3.072 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000337217542 376145926 /nfs/dbraw/zinc/14/59/26/376145926.db2.gz IMSNGFSCALGQQE-KRWDZBQOSA-N 2 1 294.483 3.286 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000337217542 376145932 /nfs/dbraw/zinc/14/59/32/376145932.db2.gz IMSNGFSCALGQQE-KRWDZBQOSA-N 2 1 294.483 3.286 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000218123921 376184250 /nfs/dbraw/zinc/18/42/50/376184250.db2.gz SSZUZROOOBZWFU-IMJJTQAJSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000218123921 376184261 /nfs/dbraw/zinc/18/42/61/376184261.db2.gz SSZUZROOOBZWFU-IMJJTQAJSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCCC3)CC[N@@H+]1C ZINC000537965722 376214472 /nfs/dbraw/zinc/21/44/72/376214472.db2.gz AKAXVIOKDXFMCJ-TZMCWYRMSA-N 2 1 278.465 3.199 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCCC3)CC[N@H+]1C ZINC000537965722 376214477 /nfs/dbraw/zinc/21/44/77/376214477.db2.gz AKAXVIOKDXFMCJ-TZMCWYRMSA-N 2 1 278.465 3.199 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000222661835 376241123 /nfs/dbraw/zinc/24/11/23/376241123.db2.gz VXDVRDQVVSTMGD-DRZSPHRISA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000222661835 376241127 /nfs/dbraw/zinc/24/11/27/376241127.db2.gz VXDVRDQVVSTMGD-DRZSPHRISA-N 2 1 252.427 3.190 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc3ccccc23)CC[N@@H+]1C ZINC000538720101 376261568 /nfs/dbraw/zinc/26/15/68/376261568.db2.gz GTEHPRDKTGALML-HOCLYGCPSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc3ccccc23)CC[N@H+]1C ZINC000538720101 376261572 /nfs/dbraw/zinc/26/15/72/376261572.db2.gz GTEHPRDKTGALML-HOCLYGCPSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccnc3ccccc23)CC[NH+]1C ZINC000538720101 376261575 /nfs/dbraw/zinc/26/15/75/376261575.db2.gz GTEHPRDKTGALML-HOCLYGCPSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc3ccccc23)CC[NH+]1C ZINC000538720101 376261580 /nfs/dbraw/zinc/26/15/80/376261580.db2.gz GTEHPRDKTGALML-HOCLYGCPSA-N 2 1 283.419 3.149 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000538737611 376266185 /nfs/dbraw/zinc/26/61/85/376266185.db2.gz PRJJPVGKNJZHAD-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000538737611 376266194 /nfs/dbraw/zinc/26/61/94/376266194.db2.gz PRJJPVGKNJZHAD-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000538737611 376266199 /nfs/dbraw/zinc/26/61/99/376266199.db2.gz PRJJPVGKNJZHAD-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000538737611 376266206 /nfs/dbraw/zinc/26/62/06/376266206.db2.gz PRJJPVGKNJZHAD-NVXWUHKLSA-N 2 1 290.451 3.390 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000224117687 376272727 /nfs/dbraw/zinc/27/27/27/376272727.db2.gz CQFROLIRZRFFTA-AVGNSLFASA-N 2 1 266.454 3.444 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000224117687 376272732 /nfs/dbraw/zinc/27/27/32/376272732.db2.gz CQFROLIRZRFFTA-AVGNSLFASA-N 2 1 266.454 3.444 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000226330389 376353223 /nfs/dbraw/zinc/35/32/23/376353223.db2.gz FCARIEHHJGKARB-UHFFFAOYSA-N 2 1 260.425 3.384 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000539039265 376286520 /nfs/dbraw/zinc/28/65/20/376286520.db2.gz BOIZQZMDIJLGGW-SDEQNOSCSA-N 2 1 276.468 3.131 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCOCC1 ZINC000539049817 376288555 /nfs/dbraw/zinc/28/85/55/376288555.db2.gz ZDDQNKQWCIZOKQ-SJLPKXTDSA-N 2 1 296.499 3.149 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000540181147 376361957 /nfs/dbraw/zinc/36/19/57/376361957.db2.gz MUDWNCBCBOLASK-WBMJQRKESA-N 2 1 298.833 3.342 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccsc2)[C@@H](C)C1 ZINC000541174335 376425071 /nfs/dbraw/zinc/42/50/71/376425071.db2.gz ACIFAZAWLGIJLV-GOEBONIOSA-N 2 1 280.481 3.343 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccsc2)[C@@H](C)C1 ZINC000541174335 376425075 /nfs/dbraw/zinc/42/50/75/376425075.db2.gz ACIFAZAWLGIJLV-GOEBONIOSA-N 2 1 280.481 3.343 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccsc2)[C@@H](C)C1 ZINC000541174335 376425080 /nfs/dbraw/zinc/42/50/80/376425080.db2.gz ACIFAZAWLGIJLV-GOEBONIOSA-N 2 1 280.481 3.343 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1C(C)C ZINC000227074888 376380841 /nfs/dbraw/zinc/38/08/41/376380841.db2.gz SNCJOVHGQHCWBJ-MAUKXSAKSA-N 2 1 290.451 3.166 20 0 CGADMP Cc1cc(OCC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1C(C)C ZINC000228207731 376432461 /nfs/dbraw/zinc/43/24/61/376432461.db2.gz GMZSWVOOKLRXSO-HOTGVXAUSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@H]([NH2+]C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599734 376466092 /nfs/dbraw/zinc/46/60/92/376466092.db2.gz OWRLHYBVVFNCHZ-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000542152839 376512315 /nfs/dbraw/zinc/51/23/15/376512315.db2.gz USPNSZAFSDCJMA-CQSZACIVSA-N 2 1 280.481 3.485 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000542152839 376512328 /nfs/dbraw/zinc/51/23/28/376512328.db2.gz USPNSZAFSDCJMA-CQSZACIVSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338692863 376484131 /nfs/dbraw/zinc/48/41/31/376484131.db2.gz JZRTZTJKNBBUOA-ZTFGCOKTSA-N 2 1 272.436 3.253 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231459384 376557642 /nfs/dbraw/zinc/55/76/42/376557642.db2.gz UPWIEXUSFZGGPR-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000230991848 376548466 /nfs/dbraw/zinc/54/84/66/376548466.db2.gz XMPPGKAJJQOHJT-ARFHVFGLSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231746223 376568419 /nfs/dbraw/zinc/56/84/19/376568419.db2.gz UENNZTAFRPPONI-HZPDHXFCSA-N 2 1 278.827 3.365 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCc3ccccc3C1)CC2 ZINC000543186076 376616812 /nfs/dbraw/zinc/61/68/12/376616812.db2.gz DPZKMFIUWLBZPQ-KRWDZBQOSA-N 2 1 298.474 3.352 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cccc(F)c2F)C[C@H]1C ZINC000543208564 376619670 /nfs/dbraw/zinc/61/96/70/376619670.db2.gz UDFRBYXUMFXKCR-UKRRQHHQSA-N 2 1 296.405 3.312 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(F)c2F)C[C@H]1C ZINC000543208564 376619673 /nfs/dbraw/zinc/61/96/73/376619673.db2.gz UDFRBYXUMFXKCR-UKRRQHHQSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(F)c2F)C[C@H]1C ZINC000543208564 376619682 /nfs/dbraw/zinc/61/96/82/376619682.db2.gz UDFRBYXUMFXKCR-UKRRQHHQSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(F)c2F)C[C@H]1C ZINC000543208564 376619686 /nfs/dbraw/zinc/61/96/86/376619686.db2.gz UDFRBYXUMFXKCR-UKRRQHHQSA-N 2 1 296.405 3.312 20 0 CGADMP Cc1ccc([C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000543253310 376624718 /nfs/dbraw/zinc/62/47/18/376624718.db2.gz OVVFXXMZLDPISI-ZWKOTPCHSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000543253310 376624727 /nfs/dbraw/zinc/62/47/27/376624727.db2.gz OVVFXXMZLDPISI-ZWKOTPCHSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccc([C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000543253310 376624735 /nfs/dbraw/zinc/62/47/35/376624735.db2.gz OVVFXXMZLDPISI-ZWKOTPCHSA-N 2 1 272.436 3.269 20 0 CGADMP CCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000339042838 376643439 /nfs/dbraw/zinc/64/34/39/376643439.db2.gz BWFCBVGGFHQYRW-QFBILLFUSA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000339042838 376643453 /nfs/dbraw/zinc/64/34/53/376643453.db2.gz BWFCBVGGFHQYRW-QFBILLFUSA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000339042838 376643460 /nfs/dbraw/zinc/64/34/60/376643460.db2.gz BWFCBVGGFHQYRW-QFBILLFUSA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000339042838 376643464 /nfs/dbraw/zinc/64/34/64/376643464.db2.gz BWFCBVGGFHQYRW-QFBILLFUSA-N 2 1 299.462 3.093 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000235786084 376650881 /nfs/dbraw/zinc/65/08/81/376650881.db2.gz YPZMQVIQLWLWNG-ZDUSSCGKSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1[nH+]c2ccccc2c(NC[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000544069211 376700373 /nfs/dbraw/zinc/70/03/73/376700373.db2.gz PQEFNEHZFNNKEY-INIZCTEOSA-N 2 1 297.446 3.416 20 0 CGADMP Cc1ncccc1CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000151281109 542101517 /nfs/dbraw/zinc/10/15/17/542101517.db2.gz KVDVBJCIRJYKPW-KXBFYZLASA-N 2 1 295.430 3.143 20 0 CGADMP Cc1ncccc1CN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000151281109 542101523 /nfs/dbraw/zinc/10/15/23/542101523.db2.gz KVDVBJCIRJYKPW-KXBFYZLASA-N 2 1 295.430 3.143 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000544894823 376769807 /nfs/dbraw/zinc/76/98/07/376769807.db2.gz WUKUKFMKLWNYFH-WNRNVDISSA-N 2 1 296.499 3.386 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339683149 376809121 /nfs/dbraw/zinc/80/91/21/376809121.db2.gz NDPWULOOLICUHL-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339683149 376809134 /nfs/dbraw/zinc/80/91/34/376809134.db2.gz NDPWULOOLICUHL-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245443027 376817328 /nfs/dbraw/zinc/81/73/28/376817328.db2.gz WUPYDGOTOIEHRR-FUHWJXTLSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245443027 376817335 /nfs/dbraw/zinc/81/73/35/376817335.db2.gz WUPYDGOTOIEHRR-FUHWJXTLSA-N 2 1 290.451 3.036 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000245533455 376845019 /nfs/dbraw/zinc/84/50/19/376845019.db2.gz ISLOBOSJSUXELB-UONOGXRCSA-N 2 1 281.469 3.306 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000245538222 376845072 /nfs/dbraw/zinc/84/50/72/376845072.db2.gz MSNQLKFUAQWSJW-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000245538222 376845079 /nfs/dbraw/zinc/84/50/79/376845079.db2.gz MSNQLKFUAQWSJW-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000245538222 376845083 /nfs/dbraw/zinc/84/50/83/376845083.db2.gz MSNQLKFUAQWSJW-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000245713983 376886755 /nfs/dbraw/zinc/88/67/55/376886755.db2.gz GMVZQJFTSITUDC-XHSDSOJGSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000245713983 376886767 /nfs/dbraw/zinc/88/67/67/376886767.db2.gz GMVZQJFTSITUDC-XHSDSOJGSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000245713983 376886773 /nfs/dbraw/zinc/88/67/73/376886773.db2.gz GMVZQJFTSITUDC-XHSDSOJGSA-N 2 1 250.430 3.005 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000557794967 376957294 /nfs/dbraw/zinc/95/72/94/376957294.db2.gz FSIJRYVXJLTYJO-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)CC[C@H]1CCCC[NH+]1C ZINC000340281635 376979327 /nfs/dbraw/zinc/97/93/27/376979327.db2.gz WTRSPSXSKFHQEN-QZTJIDSGSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000340281635 376979332 /nfs/dbraw/zinc/97/93/32/376979332.db2.gz WTRSPSXSKFHQEN-QZTJIDSGSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000340281635 376979341 /nfs/dbraw/zinc/97/93/41/376979341.db2.gz WTRSPSXSKFHQEN-QZTJIDSGSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000558501291 377014346 /nfs/dbraw/zinc/01/43/46/377014346.db2.gz KHKDEFXNZKSWBJ-HRCADAONSA-N 2 1 262.441 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000558501291 377014354 /nfs/dbraw/zinc/01/43/54/377014354.db2.gz KHKDEFXNZKSWBJ-HRCADAONSA-N 2 1 262.441 3.497 20 0 CGADMP COc1c(C)cc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1C ZINC000340371475 377025721 /nfs/dbraw/zinc/02/57/21/377025721.db2.gz MJWPLRISRSFZGZ-QGZVFWFLSA-N 2 1 290.451 3.228 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1C ZINC000340371475 377025727 /nfs/dbraw/zinc/02/57/27/377025727.db2.gz MJWPLRISRSFZGZ-QGZVFWFLSA-N 2 1 290.451 3.228 20 0 CGADMP COc1c(C)cc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1C ZINC000340371475 377025730 /nfs/dbraw/zinc/02/57/30/377025730.db2.gz MJWPLRISRSFZGZ-QGZVFWFLSA-N 2 1 290.451 3.228 20 0 CGADMP COc1c(C)cc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1C ZINC000340371475 377025735 /nfs/dbraw/zinc/02/57/35/377025735.db2.gz MJWPLRISRSFZGZ-QGZVFWFLSA-N 2 1 290.451 3.228 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000246440363 377030073 /nfs/dbraw/zinc/03/00/73/377030073.db2.gz NHTRAKCCAHFKNM-BRSBDYLESA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H](C[NH+]1[C@H](C)CC[C@H]1C)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246460304 377034977 /nfs/dbraw/zinc/03/49/77/377034977.db2.gz FWDSHMKXJVAMFU-QCODTGAPSA-N 2 1 252.446 3.368 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000558226696 376985529 /nfs/dbraw/zinc/98/55/29/376985529.db2.gz QXAKSVSGPIYWEW-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293383 376990822 /nfs/dbraw/zinc/99/08/22/376990822.db2.gz WTARXLWDBFXITI-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293383 376990830 /nfs/dbraw/zinc/99/08/30/376990830.db2.gz WTARXLWDBFXITI-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293383 376990838 /nfs/dbraw/zinc/99/08/38/376990838.db2.gz WTARXLWDBFXITI-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000246220781 376991033 /nfs/dbraw/zinc/99/10/33/376991033.db2.gz PZQSKJFDNHQWHL-MAUKXSAKSA-N 2 1 290.451 3.294 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000246946657 377125933 /nfs/dbraw/zinc/12/59/33/377125933.db2.gz HVRDHBIGCQTBKD-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000246946657 377125942 /nfs/dbraw/zinc/12/59/42/377125942.db2.gz HVRDHBIGCQTBKD-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[NH+](C)C ZINC000246772571 377085176 /nfs/dbraw/zinc/08/51/76/377085176.db2.gz BMWUOVMHMPWAEV-MWDXBVQZSA-N 2 1 296.499 3.146 20 0 CGADMP CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246940628 377125437 /nfs/dbraw/zinc/12/54/37/377125437.db2.gz DZUFQGNCFNLORV-DOTOQJQBSA-N 2 1 260.425 3.381 20 0 CGADMP CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246940628 377125448 /nfs/dbraw/zinc/12/54/48/377125448.db2.gz DZUFQGNCFNLORV-DOTOQJQBSA-N 2 1 260.425 3.381 20 0 CGADMP CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246940628 377125456 /nfs/dbraw/zinc/12/54/56/377125456.db2.gz DZUFQGNCFNLORV-DOTOQJQBSA-N 2 1 260.425 3.381 20 0 CGADMP CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246940628 377125469 /nfs/dbraw/zinc/12/54/69/377125469.db2.gz DZUFQGNCFNLORV-DOTOQJQBSA-N 2 1 260.425 3.381 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccccc32)CC[N@@H+]1C ZINC000247046144 377148148 /nfs/dbraw/zinc/14/81/48/377148148.db2.gz MZULWBYKCPZSLT-NFAWXSAZSA-N 2 1 276.449 3.296 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccccc32)CC[N@H+]1C ZINC000247046144 377148155 /nfs/dbraw/zinc/14/81/55/377148155.db2.gz MZULWBYKCPZSLT-NFAWXSAZSA-N 2 1 276.449 3.296 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000560514064 377160847 /nfs/dbraw/zinc/16/08/47/377160847.db2.gz CPCVENUBKIXCQA-SQNIBIBYSA-N 2 1 272.436 3.082 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2C)[C@@H](C)C1 ZINC000247119569 377161661 /nfs/dbraw/zinc/16/16/61/377161661.db2.gz PPJLZHNGBOLENX-BBWFWOEESA-N 2 1 290.451 3.082 20 0 CGADMP Cc1csc(CCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000247112045 377161954 /nfs/dbraw/zinc/16/19/54/377161954.db2.gz TWJWHUUWELFZTQ-BPLDGKMQSA-N 2 1 295.496 3.093 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCCC2)C1 ZINC000247132323 377164829 /nfs/dbraw/zinc/16/48/29/377164829.db2.gz VOTOTXDTYQOYTP-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cccc(C)c23)[C@@H](C)C1 ZINC000247142244 377167967 /nfs/dbraw/zinc/16/79/67/377167967.db2.gz WGKBJDWQTKGYSJ-RDJZCZTQSA-N 2 1 299.462 3.339 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000247158684 377169715 /nfs/dbraw/zinc/16/97/15/377169715.db2.gz XORICYRDSASNNN-KBRIMQKVSA-N 2 1 275.440 3.386 20 0 CGADMP CC1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000247271355 377188599 /nfs/dbraw/zinc/18/85/99/377188599.db2.gz YBXQOMJAEQWDLG-SJJHQCBESA-N 2 1 264.457 3.229 20 0 CGADMP CC1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000247271355 377188605 /nfs/dbraw/zinc/18/86/05/377188605.db2.gz YBXQOMJAEQWDLG-SJJHQCBESA-N 2 1 264.457 3.229 20 0 CGADMP CC1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000247271355 377188609 /nfs/dbraw/zinc/18/86/09/377188609.db2.gz YBXQOMJAEQWDLG-SJJHQCBESA-N 2 1 264.457 3.229 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000561314762 377220134 /nfs/dbraw/zinc/22/01/34/377220134.db2.gz ONECWNCCUIXQID-SWHNLWLKSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000247979942 377252132 /nfs/dbraw/zinc/25/21/32/377252132.db2.gz HFARAUQJVGFUDC-DLBZAZTESA-N 2 1 262.441 3.293 20 0 CGADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000561981681 377260203 /nfs/dbraw/zinc/26/02/03/377260203.db2.gz CXQMZAUWKMFVQA-GDBMZVCRSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CCC(C)(C)CC1 ZINC000561981681 377260212 /nfs/dbraw/zinc/26/02/12/377260212.db2.gz CXQMZAUWKMFVQA-GDBMZVCRSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CCC(C)(C)CC1 ZINC000561981681 377260221 /nfs/dbraw/zinc/26/02/21/377260221.db2.gz CXQMZAUWKMFVQA-GDBMZVCRSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CCC(C)(C)CC1 ZINC000561981681 377260230 /nfs/dbraw/zinc/26/02/30/377260230.db2.gz CXQMZAUWKMFVQA-GDBMZVCRSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000561981681 377260238 /nfs/dbraw/zinc/26/02/38/377260238.db2.gz CXQMZAUWKMFVQA-GDBMZVCRSA-N 2 1 266.473 3.475 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000248049236 377261276 /nfs/dbraw/zinc/26/12/76/377261276.db2.gz VVMAUMKMZDADRR-WMLDXEAASA-N 2 1 285.435 3.030 20 0 CGADMP CCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000561981969 377261306 /nfs/dbraw/zinc/26/13/06/377261306.db2.gz HPFOCYIHYZYXMV-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000561981969 377261311 /nfs/dbraw/zinc/26/13/11/377261311.db2.gz HPFOCYIHYZYXMV-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000561981969 377261314 /nfs/dbraw/zinc/26/13/14/377261314.db2.gz HPFOCYIHYZYXMV-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000561981969 377261319 /nfs/dbraw/zinc/26/13/19/377261319.db2.gz HPFOCYIHYZYXMV-CRAIPNDOSA-N 2 1 290.451 3.247 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000247369439 377199432 /nfs/dbraw/zinc/19/94/32/377199432.db2.gz RRJRFTCJFLIUBS-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC000562090044 377275918 /nfs/dbraw/zinc/27/59/18/377275918.db2.gz ODQMXAKZVNDSHT-CABCVRRESA-N 2 1 280.431 3.465 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC000562090044 377275922 /nfs/dbraw/zinc/27/59/22/377275922.db2.gz ODQMXAKZVNDSHT-CABCVRRESA-N 2 1 280.431 3.465 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)[C@@H](C)C1 ZINC000248174352 377278007 /nfs/dbraw/zinc/27/80/07/377278007.db2.gz VIDJQPXWJXOTMT-YOEHRIQHSA-N 2 1 290.426 3.177 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248384511 377300425 /nfs/dbraw/zinc/30/04/25/377300425.db2.gz FCFNRCKBOJGWKX-ZBFHGGJFSA-N 2 1 278.415 3.030 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387708 377303572 /nfs/dbraw/zinc/30/35/72/377303572.db2.gz PPVZCJVDVDQFKZ-WBVHZDCISA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387708 377303583 /nfs/dbraw/zinc/30/35/83/377303583.db2.gz PPVZCJVDVDQFKZ-WBVHZDCISA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387708 377303593 /nfs/dbraw/zinc/30/35/93/377303593.db2.gz PPVZCJVDVDQFKZ-WBVHZDCISA-N 2 1 292.442 3.420 20 0 CGADMP CC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404211 377308668 /nfs/dbraw/zinc/30/86/68/377308668.db2.gz PRKGSEUSSDITCS-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000248619373 377367091 /nfs/dbraw/zinc/36/70/91/377367091.db2.gz BUHCLAICOPXEIN-IXYNUQLISA-N 2 1 263.429 3.242 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000562962760 377381067 /nfs/dbraw/zinc/38/10/67/377381067.db2.gz YASZMYZMOPWWOD-CJNGLKHVSA-N 2 1 276.424 3.172 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)c(F)c1 ZINC000562980982 377384075 /nfs/dbraw/zinc/38/40/75/377384075.db2.gz RQOJIIOLJXZLLW-OWYVNGRQSA-N 2 1 270.779 3.400 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000248745481 377393464 /nfs/dbraw/zinc/39/34/64/377393464.db2.gz RYCRHGQEVHJEHC-CVEARBPZSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000248745481 377393471 /nfs/dbraw/zinc/39/34/71/377393471.db2.gz RYCRHGQEVHJEHC-CVEARBPZSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000563366573 377451373 /nfs/dbraw/zinc/45/13/73/377451373.db2.gz JCZPUUCRUZWCRY-QGZVFWFLSA-N 2 1 298.434 3.165 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000563366573 377451378 /nfs/dbraw/zinc/45/13/78/377451378.db2.gz JCZPUUCRUZWCRY-QGZVFWFLSA-N 2 1 298.434 3.165 20 0 CGADMP CCO[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000248878359 377418937 /nfs/dbraw/zinc/41/89/37/377418937.db2.gz KAHVDEYULQHPJM-KBAYOESNSA-N 2 1 290.451 3.084 20 0 CGADMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000249281814 377487316 /nfs/dbraw/zinc/48/73/16/377487316.db2.gz LAEJSENUDITVLB-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000249281814 377487322 /nfs/dbraw/zinc/48/73/22/377487322.db2.gz LAEJSENUDITVLB-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249281814 377487326 /nfs/dbraw/zinc/48/73/26/377487326.db2.gz LAEJSENUDITVLB-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000249281814 377487328 /nfs/dbraw/zinc/48/73/28/377487328.db2.gz LAEJSENUDITVLB-YOEHRIQHSA-N 2 1 260.425 3.164 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249416174 377500496 /nfs/dbraw/zinc/50/04/96/377500496.db2.gz ZGAGXDUJQZFSBO-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249416174 377500504 /nfs/dbraw/zinc/50/05/04/377500504.db2.gz ZGAGXDUJQZFSBO-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249416174 377500512 /nfs/dbraw/zinc/50/05/12/377500512.db2.gz ZGAGXDUJQZFSBO-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000250110416 377552517 /nfs/dbraw/zinc/55/25/17/377552517.db2.gz SSMJXHHSLDWILK-FZKCQIBNSA-N 2 1 298.540 3.474 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CCSCC1 ZINC000250110416 377552525 /nfs/dbraw/zinc/55/25/25/377552525.db2.gz SSMJXHHSLDWILK-FZKCQIBNSA-N 2 1 298.540 3.474 20 0 CGADMP C[C@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400318193 249122553 /nfs/dbraw/zinc/12/25/53/249122553.db2.gz AFGFMQAPAOYWMW-GUYCJALGSA-N 2 1 254.377 3.070 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000414902989 249124155 /nfs/dbraw/zinc/12/41/55/249124155.db2.gz ZEAVEBVSAAGXRR-SFHVURJKSA-N 2 1 266.388 3.181 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000250081505 377550449 /nfs/dbraw/zinc/55/04/49/377550449.db2.gz PCZSCVWVMAQLRO-OWCLPIDISA-N 2 1 298.540 3.476 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459389203 249149217 /nfs/dbraw/zinc/14/92/17/249149217.db2.gz MVASUKIWUWPUME-GRTSSRMGSA-N 2 1 263.429 3.242 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000469862993 249160122 /nfs/dbraw/zinc/16/01/22/249160122.db2.gz PKMKJWICOJNRFE-LSDHHAIUSA-N 2 1 288.435 3.177 20 0 CGADMP C[C@@H](CC1CCCCC1)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000470000851 249166404 /nfs/dbraw/zinc/16/64/04/249166404.db2.gz VEQKKXHVLUQZPC-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000515071016 249200752 /nfs/dbraw/zinc/20/07/52/249200752.db2.gz AXLAEXSIPZKFAN-CYBMUJFWSA-N 2 1 282.391 3.099 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000515093024 249201658 /nfs/dbraw/zinc/20/16/58/249201658.db2.gz BVIQNGRKLBLCDO-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000251353262 377580233 /nfs/dbraw/zinc/58/02/33/377580233.db2.gz SWQWNHMPVHLTEH-IAQYHMDHSA-N 2 1 270.367 3.331 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000251373874 377581013 /nfs/dbraw/zinc/58/10/13/377581013.db2.gz XVJSLQQDCSPGKV-CJNGLKHVSA-N 2 1 264.413 3.061 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC000178410424 542197376 /nfs/dbraw/zinc/19/73/76/542197376.db2.gz UQSJYHHATAECHX-QGZVFWFLSA-N 2 1 276.399 3.279 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000517730989 249269857 /nfs/dbraw/zinc/26/98/57/249269857.db2.gz WMFGFMTVDDDVGL-LBPRGKRZSA-N 2 1 286.366 3.327 20 0 CGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135517 542205955 /nfs/dbraw/zinc/20/59/55/542205955.db2.gz UXMYDHJLIKJQOB-QLFBSQMISA-N 2 1 292.471 3.127 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135517 542205959 /nfs/dbraw/zinc/20/59/59/542205959.db2.gz UXMYDHJLIKJQOB-QLFBSQMISA-N 2 1 292.471 3.127 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135517 542205961 /nfs/dbraw/zinc/20/59/61/542205961.db2.gz UXMYDHJLIKJQOB-QLFBSQMISA-N 2 1 292.471 3.127 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000252134988 377616105 /nfs/dbraw/zinc/61/61/05/377616105.db2.gz MLJBINOZNBKSOB-ICAOIODUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000252134988 377616116 /nfs/dbraw/zinc/61/61/16/377616116.db2.gz MLJBINOZNBKSOB-ICAOIODUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000252195452 377618011 /nfs/dbraw/zinc/61/80/11/377618011.db2.gz VLJANJCVZDVPPY-KNABHZPTSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252173337 377617316 /nfs/dbraw/zinc/61/73/16/377617316.db2.gz OLEPUPMWEUYMOK-FPCVCCKLSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC(C)(C)c2ccccc2)CC[N@@H+]1C ZINC000180423424 542210408 /nfs/dbraw/zinc/21/04/08/542210408.db2.gz RCEPGXUKMWPSNO-RDJZCZTQSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000180423424 542210412 /nfs/dbraw/zinc/21/04/12/542210412.db2.gz RCEPGXUKMWPSNO-RDJZCZTQSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CC(C)(C)c2ccccc2)CC[NH+]1C ZINC000180423424 542210414 /nfs/dbraw/zinc/21/04/14/542210414.db2.gz RCEPGXUKMWPSNO-RDJZCZTQSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)c2ccccc2)CC[NH+]1C ZINC000180423424 542210419 /nfs/dbraw/zinc/21/04/19/542210419.db2.gz RCEPGXUKMWPSNO-RDJZCZTQSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC[N@@H+]1C ZINC000252141986 377615073 /nfs/dbraw/zinc/61/50/73/377615073.db2.gz NIOKCKRUWWBRGM-DRRXZNNHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC[N@H+]1C ZINC000252141986 377615078 /nfs/dbraw/zinc/61/50/78/377615078.db2.gz NIOKCKRUWWBRGM-DRRXZNNHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252107712 377615093 /nfs/dbraw/zinc/61/50/93/377615093.db2.gz HHBLBTSXKQOFHM-NIOBXDJOSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252107712 377615095 /nfs/dbraw/zinc/61/50/95/377615095.db2.gz HHBLBTSXKQOFHM-NIOBXDJOSA-N 2 1 250.430 3.170 20 0 CGADMP CC(C)C[C@H]1CCCC[N@H+]1CCCc1cncn1C ZINC000574168956 377631043 /nfs/dbraw/zinc/63/10/43/377631043.db2.gz ROVWLYMWVMSFCO-OAHLLOKOSA-N 2 1 263.429 3.253 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC000574365806 377654253 /nfs/dbraw/zinc/65/42/53/377654253.db2.gz HZLBLPRTGWOEKP-IKGGRYGDSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000252711468 377655433 /nfs/dbraw/zinc/65/54/33/377655433.db2.gz JPVALISJLUJRDR-MRVWCRGKSA-N 2 1 264.438 3.055 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000252711468 377655438 /nfs/dbraw/zinc/65/54/38/377655438.db2.gz JPVALISJLUJRDR-MRVWCRGKSA-N 2 1 264.438 3.055 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000342560482 377659467 /nfs/dbraw/zinc/65/94/67/377659467.db2.gz ZAYMXRJWTQCMMX-QGZVFWFLSA-N 2 1 287.382 3.038 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000342560482 377659473 /nfs/dbraw/zinc/65/94/73/377659473.db2.gz ZAYMXRJWTQCMMX-QGZVFWFLSA-N 2 1 287.382 3.038 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000574486606 377671514 /nfs/dbraw/zinc/67/15/14/377671514.db2.gz KXICGAKNGOFXKG-KRWDZBQOSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000574647740 377689657 /nfs/dbraw/zinc/68/96/57/377689657.db2.gz WNIQLNSBBCTJRA-QWHCGFSZSA-N 2 1 288.366 3.397 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000574647740 377689666 /nfs/dbraw/zinc/68/96/66/377689666.db2.gz WNIQLNSBBCTJRA-QWHCGFSZSA-N 2 1 288.366 3.397 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000574647738 377690203 /nfs/dbraw/zinc/69/02/03/377690203.db2.gz WNIQLNSBBCTJRA-CHWSQXEVSA-N 2 1 288.366 3.397 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000574647738 377690210 /nfs/dbraw/zinc/69/02/10/377690210.db2.gz WNIQLNSBBCTJRA-CHWSQXEVSA-N 2 1 288.366 3.397 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000574545135 377679659 /nfs/dbraw/zinc/67/96/59/377679659.db2.gz GACNJADCGGPUAE-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C1CCCCC1 ZINC000574545135 377679669 /nfs/dbraw/zinc/67/96/69/377679669.db2.gz GACNJADCGGPUAE-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP C[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C1CCCCC1 ZINC000574545135 377679681 /nfs/dbraw/zinc/67/96/81/377679681.db2.gz GACNJADCGGPUAE-WBVHZDCISA-N 2 1 264.457 3.230 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574998023 377735852 /nfs/dbraw/zinc/73/58/52/377735852.db2.gz WTWFEQXJFAGYBI-LTIDMASMSA-N 2 1 282.472 3.187 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574998023 377735858 /nfs/dbraw/zinc/73/58/58/377735858.db2.gz WTWFEQXJFAGYBI-LTIDMASMSA-N 2 1 282.472 3.187 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342699823 377742489 /nfs/dbraw/zinc/74/24/89/377742489.db2.gz PXKWXEPTDRQUDR-SJORKVTESA-N 2 1 299.418 3.027 20 0 CGADMP C[C@@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@@H]1C ZINC000255275923 377745750 /nfs/dbraw/zinc/74/57/50/377745750.db2.gz DYQIWAYNOSOMIZ-CMKSSICZSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C/C=C\C[NH+]1CCCC[C@@H]1C ZINC000255275923 377745754 /nfs/dbraw/zinc/74/57/54/377745754.db2.gz DYQIWAYNOSOMIZ-CMKSSICZSA-N 2 1 250.430 3.291 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1C/C=C\C[NH+]1CCCC[C@@H]1C ZINC000255275923 377745759 /nfs/dbraw/zinc/74/57/59/377745759.db2.gz DYQIWAYNOSOMIZ-CMKSSICZSA-N 2 1 250.430 3.291 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261554089 377816341 /nfs/dbraw/zinc/81/63/41/377816341.db2.gz ARGMAUSWASQUSU-OAHLLOKOSA-N 2 1 266.454 3.216 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261569869 377818433 /nfs/dbraw/zinc/81/84/33/377818433.db2.gz NRLDGTMBZTZWRC-LZWOXQAQSA-N 2 1 278.827 3.208 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261569833 377818674 /nfs/dbraw/zinc/81/86/74/377818674.db2.gz KBLJPDMNLCBTEL-GJZGRUSLSA-N 2 1 266.816 3.462 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000261582990 377823407 /nfs/dbraw/zinc/82/34/07/377823407.db2.gz HBHMADMDFUHGGI-INIZCTEOSA-N 2 1 278.465 3.231 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000261582990 377823412 /nfs/dbraw/zinc/82/34/12/377823412.db2.gz HBHMADMDFUHGGI-INIZCTEOSA-N 2 1 278.465 3.231 20 0 CGADMP c1ccc2oc([C@H]3CCCC[N@@H+]3CC3CC[NH2+]CC3)nc2c1 ZINC000261648457 377834491 /nfs/dbraw/zinc/83/44/91/377834491.db2.gz AXLMVPPZQUIHTC-MRXNPFEDSA-N 2 1 299.418 3.354 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000261651877 377834715 /nfs/dbraw/zinc/83/47/15/377834715.db2.gz HKXKDVDLBVUWNJ-GOSISDBHSA-N 2 1 268.404 3.053 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000261657395 377836291 /nfs/dbraw/zinc/83/62/91/377836291.db2.gz XSSUTPQBMGHCDI-SZMVWBNQSA-N 2 1 272.436 3.171 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257738681 377799281 /nfs/dbraw/zinc/79/92/81/377799281.db2.gz SDMOEZXORXIIAF-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257738681 377799285 /nfs/dbraw/zinc/79/92/85/377799285.db2.gz SDMOEZXORXIIAF-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000261982384 377875898 /nfs/dbraw/zinc/87/58/98/377875898.db2.gz RNUKLBOBAGKFAG-ZBFHGGJFSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000261982384 377875903 /nfs/dbraw/zinc/87/59/03/377875903.db2.gz RNUKLBOBAGKFAG-ZBFHGGJFSA-N 2 1 299.418 3.209 20 0 CGADMP CC[N@@H+](C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000261994125 377876559 /nfs/dbraw/zinc/87/65/59/377876559.db2.gz SSIRUBKUGQTDGG-RHSMWYFYSA-N 2 1 278.415 3.393 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)oc2cc1C ZINC000261998275 377877358 /nfs/dbraw/zinc/87/73/58/377877358.db2.gz LCHDDAPHLRIBAV-GOSISDBHSA-N 2 1 284.403 3.235 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)oc2cc1C ZINC000261998275 377877365 /nfs/dbraw/zinc/87/73/65/377877365.db2.gz LCHDDAPHLRIBAV-GOSISDBHSA-N 2 1 284.403 3.235 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262089396 377885727 /nfs/dbraw/zinc/88/57/27/377885727.db2.gz URVIEDNTNWUJFA-KBRIMQKVSA-N 2 1 276.399 3.208 20 0 CGADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262137844 377887766 /nfs/dbraw/zinc/88/77/66/377887766.db2.gz YVRSZWJOVXFUAM-CGTJXYLNSA-N 2 1 272.436 3.172 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC000262405589 377897128 /nfs/dbraw/zinc/89/71/28/377897128.db2.gz CRBSJWLWMNDRKQ-HOCLYGCPSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261819693 377857028 /nfs/dbraw/zinc/85/70/28/377857028.db2.gz APQDTDZCBDUCFY-MAUKXSAKSA-N 2 1 298.430 3.278 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000264390263 377982442 /nfs/dbraw/zinc/98/24/42/377982442.db2.gz RSEXIQBFMJUSSU-UHFFFAOYSA-N 2 1 299.418 3.085 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2cc(F)ccc2o1 ZINC000343624532 378043931 /nfs/dbraw/zinc/04/39/31/378043931.db2.gz PVYAWNVJHNUBOV-UHFFFAOYSA-N 2 1 290.382 3.490 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2cc(F)ccc2o1 ZINC000343624532 378043934 /nfs/dbraw/zinc/04/39/34/378043934.db2.gz PVYAWNVJHNUBOV-UHFFFAOYSA-N 2 1 290.382 3.490 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000268813827 378119000 /nfs/dbraw/zinc/11/90/00/378119000.db2.gz FPTLHKBNAJYSEO-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCCn1cc[nH+]c1C)CCC2 ZINC000268859968 378131989 /nfs/dbraw/zinc/13/19/89/378131989.db2.gz MFXSAJDDHZSCAR-ZDUSSCGKSA-N 2 1 290.436 3.014 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000268865533 378134820 /nfs/dbraw/zinc/13/48/20/378134820.db2.gz TVGPUNRAQREARS-ZFWWWQNUSA-N 2 1 278.465 3.447 20 0 CGADMP COc1cccc2c1CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1C ZINC000268871875 378138160 /nfs/dbraw/zinc/13/81/60/378138160.db2.gz HWCCXVUSXWPGEQ-KRWDZBQOSA-N 2 1 299.418 3.257 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268778376 378108254 /nfs/dbraw/zinc/10/82/54/378108254.db2.gz SHQMHSLMPAERHC-AWEZNQCLSA-N 2 1 276.424 3.098 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268778376 378108262 /nfs/dbraw/zinc/10/82/62/378108262.db2.gz SHQMHSLMPAERHC-AWEZNQCLSA-N 2 1 276.424 3.098 20 0 CGADMP CC[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000345178737 378214863 /nfs/dbraw/zinc/21/48/63/378214863.db2.gz VEGLZXCPGQYGHQ-MRXNPFEDSA-N 2 1 258.409 3.032 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268974964 378164829 /nfs/dbraw/zinc/16/48/29/378164829.db2.gz BHYHWZDEPMLBND-HLLBOEOZSA-N 2 1 292.492 3.238 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268974964 378164832 /nfs/dbraw/zinc/16/48/32/378164832.db2.gz BHYHWZDEPMLBND-HLLBOEOZSA-N 2 1 292.492 3.238 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000269000006 378171305 /nfs/dbraw/zinc/17/13/05/378171305.db2.gz ZIRKIFMFBJFTKQ-UHFFFAOYSA-N 2 1 281.762 3.164 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000579563937 378172823 /nfs/dbraw/zinc/17/28/23/378172823.db2.gz GXLJYKNWETYAAA-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP c1cc(C[NH2+]CCC[NH+]2CCC2)cc(OC2CCCC2)c1 ZINC000580962815 378273177 /nfs/dbraw/zinc/27/31/77/378273177.db2.gz KRPMPWCIRCFIMJ-UHFFFAOYSA-N 2 1 288.435 3.193 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c2c1 ZINC000269997292 378292107 /nfs/dbraw/zinc/29/21/07/378292107.db2.gz WYPGTBQTHLZNQY-IRXDYDNUSA-N 2 1 297.446 3.235 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cnn1C(C)(C)C ZINC000345678959 378341989 /nfs/dbraw/zinc/34/19/89/378341989.db2.gz AITGIWDNUAAUTJ-CQSZACIVSA-N 2 1 294.487 3.327 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cnn1C(C)(C)C ZINC000345678959 378341995 /nfs/dbraw/zinc/34/19/95/378341995.db2.gz AITGIWDNUAAUTJ-CQSZACIVSA-N 2 1 294.487 3.327 20 0 CGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)c(N)c(Cl)c1 ZINC000270420762 378348595 /nfs/dbraw/zinc/34/85/95/378348595.db2.gz FOXPACZTMCAFCJ-VIFPVBQESA-N 2 1 290.238 3.178 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)CCn2cc[nH+]c2C)s1 ZINC000270619537 378376681 /nfs/dbraw/zinc/37/66/81/378376681.db2.gz DCIXLJLYGPLEAC-GFCCVEGCSA-N 2 1 292.452 3.212 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CCn2cc[nH+]c2C)s1 ZINC000270619537 378376688 /nfs/dbraw/zinc/37/66/88/378376688.db2.gz DCIXLJLYGPLEAC-GFCCVEGCSA-N 2 1 292.452 3.212 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000270658590 378382169 /nfs/dbraw/zinc/38/21/69/378382169.db2.gz ODPDCUPXRZKVPA-UKRRQHHQSA-N 2 1 273.380 3.258 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000270658590 378382175 /nfs/dbraw/zinc/38/21/75/378382175.db2.gz ODPDCUPXRZKVPA-UKRRQHHQSA-N 2 1 273.380 3.258 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)CCc1cccs1 ZINC000270671343 378386159 /nfs/dbraw/zinc/38/61/59/378386159.db2.gz SEIDBOGEYIEYOS-UHFFFAOYSA-N 2 1 277.437 3.208 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)CCc1cccs1 ZINC000270671343 378386162 /nfs/dbraw/zinc/38/61/62/378386162.db2.gz SEIDBOGEYIEYOS-UHFFFAOYSA-N 2 1 277.437 3.208 20 0 CGADMP Cc1ccsc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271023254 378430228 /nfs/dbraw/zinc/43/02/28/378430228.db2.gz CIZPCIXLIHQSOI-UHFFFAOYSA-N 2 1 266.454 3.361 20 0 CGADMP Cc1ccsc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271023254 378430236 /nfs/dbraw/zinc/43/02/36/378430236.db2.gz CIZPCIXLIHQSOI-UHFFFAOYSA-N 2 1 266.454 3.361 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2cc(C)c3ncccc3c2)CC1 ZINC000346160343 378484079 /nfs/dbraw/zinc/48/40/79/378484079.db2.gz WGBFIGPVQMVLNV-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c3ncccc3c2)CC1 ZINC000346160343 378484085 /nfs/dbraw/zinc/48/40/85/378484085.db2.gz WGBFIGPVQMVLNV-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000346165711 378486416 /nfs/dbraw/zinc/48/64/16/378486416.db2.gz IRUBTGGWCBFZKD-ZIAGYGMSSA-N 2 1 284.407 3.054 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000271912250 378514288 /nfs/dbraw/zinc/51/42/88/378514288.db2.gz YCTJJKJFWRKREW-QZTJIDSGSA-N 2 1 288.410 3.313 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000346400390 378568506 /nfs/dbraw/zinc/56/85/06/378568506.db2.gz ZTPZTVIYROXZGY-MRXNPFEDSA-N 2 1 298.434 3.444 20 0 CGADMP CCc1cccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000346416411 378573418 /nfs/dbraw/zinc/57/34/18/378573418.db2.gz RRWNOYUMLJMPSC-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP CCc1cccc(C[N@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000346416411 378573423 /nfs/dbraw/zinc/57/34/23/378573423.db2.gz RRWNOYUMLJMPSC-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)sn1 ZINC000637905613 378626110 /nfs/dbraw/zinc/62/61/10/378626110.db2.gz LWBMSCRFMJZLHU-UHFFFAOYSA-N 2 1 293.480 3.231 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000346570347 378626480 /nfs/dbraw/zinc/62/64/80/378626480.db2.gz VQKJCZRDUWUIFO-OIISXLGYSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000346570347 378626482 /nfs/dbraw/zinc/62/64/82/378626482.db2.gz VQKJCZRDUWUIFO-OIISXLGYSA-N 2 1 272.436 3.428 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346574056 378629793 /nfs/dbraw/zinc/62/97/93/378629793.db2.gz ZFUUVXJOGMHWFQ-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000346882017 378696839 /nfs/dbraw/zinc/69/68/39/378696839.db2.gz ADEVVLYEQNLSMR-RDJZCZTQSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000346882017 378696843 /nfs/dbraw/zinc/69/68/43/378696843.db2.gz ADEVVLYEQNLSMR-RDJZCZTQSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000346654063 378662896 /nfs/dbraw/zinc/66/28/96/378662896.db2.gz RDMBZVWUEVFQJO-MNOVXSKESA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000346654063 378662903 /nfs/dbraw/zinc/66/29/03/378662903.db2.gz RDMBZVWUEVFQJO-MNOVXSKESA-N 2 1 293.461 3.041 20 0 CGADMP C[C@@H]([NH2+]C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272574686 378668891 /nfs/dbraw/zinc/66/88/91/378668891.db2.gz VNRBNCWWTPWJAD-WBVHZDCISA-N 2 1 272.436 3.429 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346677822 378672442 /nfs/dbraw/zinc/67/24/42/378672442.db2.gz LREPEBPZDHRRLS-CHWSQXEVSA-N 2 1 272.392 3.164 20 0 CGADMP COc1ccccc1/C=C\C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346686611 378675365 /nfs/dbraw/zinc/67/53/65/378675365.db2.gz RPLASAXQSJSCHM-DZFYGRHCSA-N 2 1 276.424 3.014 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000346694493 378678399 /nfs/dbraw/zinc/67/83/99/378678399.db2.gz UPHZHQVIVWSQIW-AWFCHZOYSA-N 2 1 282.378 3.283 20 0 CGADMP CC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000272715398 378694147 /nfs/dbraw/zinc/69/41/47/378694147.db2.gz AKCJLNJRJVXDNH-UHFFFAOYSA-N 2 1 290.426 3.365 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346850046 378694515 /nfs/dbraw/zinc/69/45/15/378694515.db2.gz PFUWVNBTNLOVRF-QZTJIDSGSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346846226 378694731 /nfs/dbraw/zinc/69/47/31/378694731.db2.gz NNTTZVPXNQJEDD-NVXWUHKLSA-N 2 1 258.409 3.132 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3ncccc23)C1 ZINC000638134240 378712805 /nfs/dbraw/zinc/71/28/05/378712805.db2.gz MXSWONWNNKBOCD-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638134240 378712809 /nfs/dbraw/zinc/71/28/09/378712809.db2.gz MXSWONWNNKBOCD-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638134240 378712812 /nfs/dbraw/zinc/71/28/12/378712812.db2.gz MXSWONWNNKBOCD-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[C@H]([NH2+]CC1(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348049798 378766298 /nfs/dbraw/zinc/76/62/98/378766298.db2.gz YFWNBRVMDWCRJA-RDJZCZTQSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000638335901 378771925 /nfs/dbraw/zinc/77/19/25/378771925.db2.gz XPWGIYXWUNCCNK-NVXWUHKLSA-N 2 1 297.446 3.222 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000638346444 378774890 /nfs/dbraw/zinc/77/48/90/378774890.db2.gz XAFLVHVDEFHMDS-REPLKXPHSA-N 2 1 298.474 3.329 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000348081957 378781771 /nfs/dbraw/zinc/78/17/71/378781771.db2.gz SEMFYLUWLVZPEK-OAHLLOKOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000348081957 378781775 /nfs/dbraw/zinc/78/17/75/378781775.db2.gz SEMFYLUWLVZPEK-OAHLLOKOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000348107093 378795116 /nfs/dbraw/zinc/79/51/16/378795116.db2.gz IQBAOQZBZRPVEO-LSDHHAIUSA-N 2 1 263.429 3.386 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346843253 218032546 /nfs/dbraw/zinc/03/25/46/218032546.db2.gz XSDLOVUFWBKDSB-SJLPKXTDSA-N 2 1 272.436 3.256 20 0 CGADMP CO[C@H](C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C1CC1 ZINC000638435673 378802772 /nfs/dbraw/zinc/80/27/72/378802772.db2.gz VRRITXIYYCTGIT-GOSISDBHSA-N 2 1 290.451 3.041 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)C[C@@H]21 ZINC000346837522 218029912 /nfs/dbraw/zinc/02/99/12/218029912.db2.gz WEJRWLBRCKKFED-XFBWCDHKSA-N 2 1 288.366 3.131 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC000638587208 378842879 /nfs/dbraw/zinc/84/28/79/378842879.db2.gz BXEWQMVQOHWJRC-BZUAXINKSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC000638587210 378843621 /nfs/dbraw/zinc/84/36/21/378843621.db2.gz BXEWQMVQOHWJRC-OWCLPIDISA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346851142 218035798 /nfs/dbraw/zinc/03/57/98/218035798.db2.gz QOALTKPADLMXIQ-FUHWJXTLSA-N 2 1 272.436 3.002 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC000274790190 378895020 /nfs/dbraw/zinc/89/50/20/378895020.db2.gz BTNOBMYJLUCVPD-VUNQMSRZSA-N 2 1 278.827 3.239 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278509252 194018840 /nfs/dbraw/zinc/01/88/40/194018840.db2.gz MBHUJSJIKCRRDB-CABCVRRESA-N 2 1 296.480 3.208 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278509252 194018841 /nfs/dbraw/zinc/01/88/41/194018841.db2.gz MBHUJSJIKCRRDB-CABCVRRESA-N 2 1 296.480 3.208 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C3CC[NH2+]CC3)ccc2c1 ZINC000347016715 218092448 /nfs/dbraw/zinc/09/24/48/218092448.db2.gz JYFQZNOCEYGTHL-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP F[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000348387226 378936394 /nfs/dbraw/zinc/93/63/94/378936394.db2.gz GBRFXFPYXMYAFT-AEFFLSMTSA-N 2 1 290.426 3.174 20 0 CGADMP CC(C)C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000276631141 378970126 /nfs/dbraw/zinc/97/01/26/378970126.db2.gz JJSNUFOHEYYVJR-KRWDZBQOSA-N 2 1 271.408 3.340 20 0 CGADMP CCc1oc2ccccc2c1C[NH+]1CCC([NH2+]C)CC1 ZINC000347104947 218122580 /nfs/dbraw/zinc/12/25/80/218122580.db2.gz LJDIQXPIGLHKMO-UHFFFAOYSA-N 2 1 272.392 3.179 20 0 CGADMP CCC[N@@H+](Cc1cccc(OC(C)C)c1)C1CC[NH2+]CC1 ZINC000347107583 218125007 /nfs/dbraw/zinc/12/50/07/218125007.db2.gz OFTSZWPMBMHTDO-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP CC(C)c1nc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cs1 ZINC000370167760 378990009 /nfs/dbraw/zinc/99/00/09/378990009.db2.gz URFUIDWDKMDKLM-LBPRGKRZSA-N 2 1 290.436 3.369 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cs1 ZINC000370167760 378990018 /nfs/dbraw/zinc/99/00/18/378990018.db2.gz URFUIDWDKMDKLM-LBPRGKRZSA-N 2 1 290.436 3.369 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495558 379025143 /nfs/dbraw/zinc/02/51/43/379025143.db2.gz YYDJKCLQJGFDJT-WMZOPIPTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495558 379025150 /nfs/dbraw/zinc/02/51/50/379025150.db2.gz YYDJKCLQJGFDJT-WMZOPIPTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495558 379025156 /nfs/dbraw/zinc/02/51/56/379025156.db2.gz YYDJKCLQJGFDJT-WMZOPIPTSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347211860 218156916 /nfs/dbraw/zinc/15/69/16/218156916.db2.gz PGZXLDTVHXUKPB-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C(CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133647 379057420 /nfs/dbraw/zinc/05/74/20/379057420.db2.gz UFUVSSDUEDURCA-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP Cn1c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc2ccccc21 ZINC000639164142 379082199 /nfs/dbraw/zinc/08/21/99/379082199.db2.gz ZWFRMYTTYCRYNU-SJPCQFCGSA-N 2 1 297.446 3.235 20 0 CGADMP Cn1c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc2ccccc21 ZINC000639164142 379082206 /nfs/dbraw/zinc/08/22/06/379082206.db2.gz ZWFRMYTTYCRYNU-SJPCQFCGSA-N 2 1 297.446 3.235 20 0 CGADMP Cn1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc2ccccc21 ZINC000639164142 379082212 /nfs/dbraw/zinc/08/22/12/379082212.db2.gz ZWFRMYTTYCRYNU-SJPCQFCGSA-N 2 1 297.446 3.235 20 0 CGADMP Cn1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc2ccccc21 ZINC000639164142 379082215 /nfs/dbraw/zinc/08/22/15/379082215.db2.gz ZWFRMYTTYCRYNU-SJPCQFCGSA-N 2 1 297.446 3.235 20 0 CGADMP Cc1ccccc1CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277173429 379089546 /nfs/dbraw/zinc/08/95/46/379089546.db2.gz KVYRZQSIGUGRIK-SFHVURJKSA-N 2 1 274.452 3.344 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000639170776 379089651 /nfs/dbraw/zinc/08/96/51/379089651.db2.gz XVJXSHXSURAZRM-BQFCYCMXSA-N 2 1 290.451 3.083 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177440 379096475 /nfs/dbraw/zinc/09/64/75/379096475.db2.gz DENFTDAQQAPOFJ-WZGPROSRSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177440 379096478 /nfs/dbraw/zinc/09/64/78/379096478.db2.gz DENFTDAQQAPOFJ-WZGPROSRSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177440 379096480 /nfs/dbraw/zinc/09/64/80/379096480.db2.gz DENFTDAQQAPOFJ-WZGPROSRSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177440 379096482 /nfs/dbraw/zinc/09/64/82/379096482.db2.gz DENFTDAQQAPOFJ-WZGPROSRSA-N 2 1 286.463 3.452 20 0 CGADMP CCSCC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000349001161 379130470 /nfs/dbraw/zinc/13/04/70/379130470.db2.gz GXUBTLKQCATHOD-UHFFFAOYSA-N 2 1 280.481 3.323 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277639602 379205821 /nfs/dbraw/zinc/20/58/21/379205821.db2.gz YHPIXPJLVVOIJP-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000569155382 322237380 /nfs/dbraw/zinc/23/73/80/322237380.db2.gz CWRJWLXINLBYTM-LVQVYYBASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000569155382 322237382 /nfs/dbraw/zinc/23/73/82/322237382.db2.gz CWRJWLXINLBYTM-LVQVYYBASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000569155382 322237384 /nfs/dbraw/zinc/23/73/84/322237384.db2.gz CWRJWLXINLBYTM-LVQVYYBASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000569155382 322237385 /nfs/dbraw/zinc/23/73/85/322237385.db2.gz CWRJWLXINLBYTM-LVQVYYBASA-N 2 1 252.446 3.085 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC000278983438 194240002 /nfs/dbraw/zinc/24/00/02/194240002.db2.gz PCMSNPXQFFUFEJ-RDTXWAMCSA-N 2 1 281.403 3.186 20 0 CGADMP c1ccc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000375252970 379491453 /nfs/dbraw/zinc/49/14/53/379491453.db2.gz PFEBBHSENMFZQR-UHFFFAOYSA-N 2 1 287.451 3.137 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC000639756607 379570530 /nfs/dbraw/zinc/57/05/30/379570530.db2.gz YNJHYMVLFUPECH-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758029 379572046 /nfs/dbraw/zinc/57/20/46/379572046.db2.gz ONVWLEIQBAOGIW-MRXNPFEDSA-N 2 1 272.436 3.474 20 0 CGADMP CC[C@@](C)([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000639927271 379650898 /nfs/dbraw/zinc/65/08/98/379650898.db2.gz FEOAJXOKRVEHRJ-QGZVFWFLSA-N 2 1 289.398 3.407 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000280103940 379606182 /nfs/dbraw/zinc/60/61/82/379606182.db2.gz APJYFEGZHNSJAK-RHSMWYFYSA-N 2 1 276.399 3.146 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000639986801 379677342 /nfs/dbraw/zinc/67/73/42/379677342.db2.gz SKERKPYGXHXTDF-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCCO1 ZINC000351595439 379728932 /nfs/dbraw/zinc/72/89/32/379728932.db2.gz KSVPQSKQGCZIIZ-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCCO1 ZINC000351595439 379728935 /nfs/dbraw/zinc/72/89/35/379728935.db2.gz KSVPQSKQGCZIIZ-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCCO1 ZINC000351595439 379728943 /nfs/dbraw/zinc/72/89/43/379728943.db2.gz KSVPQSKQGCZIIZ-DLBZAZTESA-N 2 1 282.472 3.142 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640155150 379735968 /nfs/dbraw/zinc/73/59/68/379735968.db2.gz QVKDTTZBCDYGEA-HNNXBMFYSA-N 2 1 279.334 3.021 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000352214512 379753972 /nfs/dbraw/zinc/75/39/72/379753972.db2.gz ZSVHRNHWSGISOH-BZUAXINKSA-N 2 1 290.451 3.033 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000352214512 379753978 /nfs/dbraw/zinc/75/39/78/379753978.db2.gz ZSVHRNHWSGISOH-BZUAXINKSA-N 2 1 290.451 3.033 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000377977926 379762252 /nfs/dbraw/zinc/76/22/52/379762252.db2.gz PVBIKIIYYHGHJY-HNNXBMFYSA-N 2 1 261.413 3.284 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1c(F)cccc1Cl ZINC000352503753 379838344 /nfs/dbraw/zinc/83/83/44/379838344.db2.gz JRTYUKUCAQMODN-GFCCVEGCSA-N 2 1 284.806 3.225 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1c(F)cccc1Cl ZINC000352503753 379838348 /nfs/dbraw/zinc/83/83/48/379838348.db2.gz JRTYUKUCAQMODN-GFCCVEGCSA-N 2 1 284.806 3.225 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352540135 379848218 /nfs/dbraw/zinc/84/82/18/379848218.db2.gz HNZRSYZOGUGHNL-DOTOQJQBSA-N 2 1 260.425 3.069 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000352544947 379851144 /nfs/dbraw/zinc/85/11/44/379851144.db2.gz DZPVEDOMUAESGT-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP C[C@H](F)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352447871 379818783 /nfs/dbraw/zinc/81/87/83/379818783.db2.gz OYNREKHAHKSAAN-RYQLBKOJSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H](F)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352447871 379818790 /nfs/dbraw/zinc/81/87/90/379818790.db2.gz OYNREKHAHKSAAN-RYQLBKOJSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@H](F)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352447871 379818791 /nfs/dbraw/zinc/81/87/91/379818791.db2.gz OYNREKHAHKSAAN-RYQLBKOJSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@@H](c1ccccn1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532960 379820018 /nfs/dbraw/zinc/82/00/18/379820018.db2.gz LQDHRRZZNKGMLB-INIZCTEOSA-N 2 1 275.440 3.341 20 0 CGADMP Cc1cnc([C@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000640532965 379820193 /nfs/dbraw/zinc/82/01/93/379820193.db2.gz LRBYIFAKNKBWMG-HNNXBMFYSA-N 2 1 279.428 3.242 20 0 CGADMP Cc1cnc([C@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000640532965 379820203 /nfs/dbraw/zinc/82/02/03/379820203.db2.gz LRBYIFAKNKBWMG-HNNXBMFYSA-N 2 1 279.428 3.242 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000387660108 379878816 /nfs/dbraw/zinc/87/88/16/379878816.db2.gz MXMPHCFLIGTZOQ-MRXNPFEDSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000282720348 379975866 /nfs/dbraw/zinc/97/58/66/379975866.db2.gz RQXQKOKGCQBFRF-GFCCVEGCSA-N 2 1 277.799 3.066 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000401792537 379958897 /nfs/dbraw/zinc/95/88/97/379958897.db2.gz XGBFFAAFPVJATI-ROUUACIJSA-N 2 1 283.419 3.279 20 0 CGADMP Cc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)cc1 ZINC000401869702 379959213 /nfs/dbraw/zinc/95/92/13/379959213.db2.gz JUIJSEUQUJSPHL-KRWDZBQOSA-N 2 1 269.392 3.012 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000352838914 379994822 /nfs/dbraw/zinc/99/48/22/379994822.db2.gz HBXVVLCCRVFVSW-VXGBXAGGSA-N 2 1 282.478 3.186 20 0 CGADMP CSc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000352838914 379994826 /nfs/dbraw/zinc/99/48/26/379994826.db2.gz HBXVVLCCRVFVSW-VXGBXAGGSA-N 2 1 282.478 3.186 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641774626 380090880 /nfs/dbraw/zinc/09/08/80/380090880.db2.gz RHTSVZMAGVCGGQ-QAPCUYQASA-N 2 1 272.436 3.459 20 0 CGADMP CC(C)C[C@H](C)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000410345713 380088038 /nfs/dbraw/zinc/08/80/38/380088038.db2.gz SGWOQBWWCGQVOS-HNNXBMFYSA-N 2 1 254.462 3.473 20 0 CGADMP C[N@@H+](CCCc1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353150518 380140442 /nfs/dbraw/zinc/14/04/42/380140442.db2.gz CXIRORONKGVMOE-XYPWUTKMSA-N 2 1 278.465 3.238 20 0 CGADMP C[NH+](CCCc1ccsc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353150518 380140451 /nfs/dbraw/zinc/14/04/51/380140451.db2.gz CXIRORONKGVMOE-XYPWUTKMSA-N 2 1 278.465 3.238 20 0 CGADMP C[NH+](CCCc1ccsc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353150518 380140458 /nfs/dbraw/zinc/14/04/58/380140458.db2.gz CXIRORONKGVMOE-XYPWUTKMSA-N 2 1 278.465 3.238 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000353077156 380104189 /nfs/dbraw/zinc/10/41/89/380104189.db2.gz DGUUZGCTRXVOMM-UHFFFAOYSA-N 2 1 295.430 3.358 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2[C@H](C)CCC2(C)C)cc1 ZINC000641801588 380110717 /nfs/dbraw/zinc/11/07/17/380110717.db2.gz SVMQPWXITZPLSX-UKRRQHHQSA-N 2 1 276.424 3.000 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000641799653 380111900 /nfs/dbraw/zinc/11/19/00/380111900.db2.gz OPNYRJFMMPDALK-CZUORRHYSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3s2)CC[N@@H+]1C ZINC000268180677 190384126 /nfs/dbraw/zinc/38/41/26/190384126.db2.gz IQKBSYNKXLMKDI-TZMCWYRMSA-N 2 1 274.433 3.474 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3s2)CC[N@H+]1C ZINC000268180677 190384127 /nfs/dbraw/zinc/38/41/27/190384127.db2.gz IQKBSYNKXLMKDI-TZMCWYRMSA-N 2 1 274.433 3.474 20 0 CGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643033874 380207011 /nfs/dbraw/zinc/20/70/11/380207011.db2.gz QUZJDQSHYZVDHT-IAQYHMDHSA-N 2 1 287.794 3.076 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000285998392 380156435 /nfs/dbraw/zinc/15/64/35/380156435.db2.gz ILKDEYTZLVKLGX-HOTGVXAUSA-N 2 1 275.440 3.163 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000643499096 380321044 /nfs/dbraw/zinc/32/10/44/380321044.db2.gz SNPNFBRHQPGTTC-OAHLLOKOSA-N 2 1 252.402 3.346 20 0 CGADMP Cc1cccc(C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)c1 ZINC000643501630 380323105 /nfs/dbraw/zinc/32/31/05/380323105.db2.gz MRIKQLRHOCNYOI-ROUUACIJSA-N 2 1 272.436 3.048 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000643521733 380337574 /nfs/dbraw/zinc/33/75/74/380337574.db2.gz AKCSUZOYEFSBEE-DZGCQCFKSA-N 2 1 269.392 3.028 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000643521736 380337248 /nfs/dbraw/zinc/33/72/48/380337248.db2.gz AKCSUZOYEFSBEE-ZFWWWQNUSA-N 2 1 269.392 3.028 20 0 CGADMP C[C@H]([NH2+]CC[NH2+]C1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000643507907 380329929 /nfs/dbraw/zinc/32/99/29/380329929.db2.gz VYKFXACUOHSZKH-NEPJUHHUSA-N 2 1 266.816 3.174 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507257 380330295 /nfs/dbraw/zinc/33/02/95/380330295.db2.gz XJKPYWWBQHCKEB-DLBZAZTESA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000354085973 380314880 /nfs/dbraw/zinc/31/48/80/380314880.db2.gz LMBZCEYBGJZZBN-INMHGKMJSA-N 2 1 293.430 3.380 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000414671333 380364005 /nfs/dbraw/zinc/36/40/05/380364005.db2.gz NXJSNXDVOCTRAX-GBBGEASQSA-N 2 1 284.447 3.166 20 0 CGADMP COc1ccc(C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)cc1 ZINC000414683077 380370357 /nfs/dbraw/zinc/37/03/57/380370357.db2.gz SMLUSAXHXIQOBV-HOCLYGCPSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](CCc2ccc(F)cc2)C2CC2)CC[NH2+]1 ZINC000414696498 380378334 /nfs/dbraw/zinc/37/83/34/380378334.db2.gz PKZULEWPTZNBIY-GOEBONIOSA-N 2 1 290.426 3.221 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1cccc(OC)c1 ZINC000414704682 380382123 /nfs/dbraw/zinc/38/21/23/380382123.db2.gz MRADQVNFWXGAPY-BZUAXINKSA-N 2 1 290.451 3.466 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC000414733221 380389687 /nfs/dbraw/zinc/38/96/87/380389687.db2.gz DIWNXAYYENAQFG-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP COc1ccc(C2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414739212 380391059 /nfs/dbraw/zinc/39/10/59/380391059.db2.gz KCISEZOVYMZXGZ-QGZVFWFLSA-N 2 1 290.451 3.248 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000643525960 380340761 /nfs/dbraw/zinc/34/07/61/380340761.db2.gz KINXAGORNJEXLP-HUUCEWRRSA-N 2 1 284.403 3.263 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000643526295 380342616 /nfs/dbraw/zinc/34/26/16/380342616.db2.gz XVUVFYHSMGGLPY-KGLIPLIRSA-N 2 1 254.377 3.351 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000643526871 380342682 /nfs/dbraw/zinc/34/26/82/380342682.db2.gz BCZMSFCCGKICSN-AMIZOPFISA-N 2 1 273.207 3.381 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643529364 380346327 /nfs/dbraw/zinc/34/63/27/380346327.db2.gz YYHGLDLDDGROSQ-GXFFZTMASA-N 2 1 274.330 3.339 20 0 CGADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643529326 380346915 /nfs/dbraw/zinc/34/69/15/380346915.db2.gz YQDYJXBJLJDUJS-ZJUUUORDSA-N 2 1 293.411 3.255 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414761620 380395022 /nfs/dbraw/zinc/39/50/22/380395022.db2.gz UHJCRYDRWDFZBN-CVEARBPZSA-N 2 1 272.436 3.050 20 0 CGADMP CCCc1cccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c1 ZINC000414651106 380352664 /nfs/dbraw/zinc/35/26/64/380352664.db2.gz DZZRNYIEMSIFRB-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000414812724 380423808 /nfs/dbraw/zinc/42/38/08/380423808.db2.gz LJORLOIXFKAFHT-OAHLLOKOSA-N 2 1 294.439 3.090 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414814026 380426246 /nfs/dbraw/zinc/42/62/46/380426246.db2.gz VBLSJNIYBIWMET-UHFFFAOYSA-N 2 1 292.320 3.452 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414819665 380430510 /nfs/dbraw/zinc/43/05/10/380430510.db2.gz ZHHWHEUVTGABMY-ZRUQZJFASA-N 2 1 268.351 3.085 20 0 CGADMP CC(C)CC[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000644522414 380439218 /nfs/dbraw/zinc/43/92/18/380439218.db2.gz VSNVNPZXROBQBG-IAGOWNOFSA-N 2 1 284.488 3.028 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414832499 380439792 /nfs/dbraw/zinc/43/97/92/380439792.db2.gz DPXSKUYEFCDKAL-KZNAEPCWSA-N 2 1 274.452 3.460 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc2cccnc12 ZINC000414831533 380440159 /nfs/dbraw/zinc/44/01/59/380440159.db2.gz CJLJNLWOCFBLPA-MRXNPFEDSA-N 2 1 271.408 3.006 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414832104 380440433 /nfs/dbraw/zinc/44/04/33/380440433.db2.gz DGRLZGVIHMOEFN-HTAVTVPLSA-N 2 1 266.351 3.071 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc2s1 ZINC000414842238 380447968 /nfs/dbraw/zinc/44/79/68/380447968.db2.gz ODLVMJQTQWWVSW-ZDUSSCGKSA-N 2 1 277.437 3.068 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414801723 380414597 /nfs/dbraw/zinc/41/45/97/380414597.db2.gz MBDDJOWTRKCBIJ-GOSISDBHSA-N 2 1 296.414 3.189 20 0 CGADMP Clc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000414919920 380489300 /nfs/dbraw/zinc/48/93/00/380489300.db2.gz WCFMJHGWAUOECD-LBPRGKRZSA-N 2 1 273.207 3.225 20 0 CGADMP c1ccc([C@H]2CCCC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414926900 380490922 /nfs/dbraw/zinc/49/09/22/380490922.db2.gz ODFIKSHSKVHCKZ-RCCFBDPRSA-N 2 1 272.436 3.445 20 0 CGADMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C[NH3+] ZINC000414935684 380495330 /nfs/dbraw/zinc/49/53/30/380495330.db2.gz BFORNCKTSLUGLU-CABZTGNLSA-N 2 1 275.223 3.251 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414940486 380498203 /nfs/dbraw/zinc/49/82/03/380498203.db2.gz BOQDEGGQPILPNT-UKRRQHHQSA-N 2 1 284.403 3.079 20 0 CGADMP CC1([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414945114 380499600 /nfs/dbraw/zinc/49/96/00/380499600.db2.gz QYLUUFGGJJPJDS-UHFFFAOYSA-N 2 1 290.304 3.076 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[NH2+]1 ZINC000414943962 380500140 /nfs/dbraw/zinc/50/01/40/380500140.db2.gz FZNMTVQTFPZCMJ-ZBFHGGJFSA-N 2 1 288.435 3.238 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)C1CCCC1 ZINC000415065497 380507513 /nfs/dbraw/zinc/50/75/13/380507513.db2.gz MXTWIBTVEVEAQX-QQNRWZHASA-N 2 1 280.362 3.085 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875298 380470716 /nfs/dbraw/zinc/47/07/16/380470716.db2.gz JDFGPCWWJZONET-KRWDZBQOSA-N 2 1 297.446 3.172 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000414895194 380478594 /nfs/dbraw/zinc/47/85/94/380478594.db2.gz MVGMONHSIYXKAH-HNNXBMFYSA-N 2 1 272.417 3.242 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCOC(C)(C)C ZINC000354739581 380546127 /nfs/dbraw/zinc/54/61/27/380546127.db2.gz VHTNCEJTAZZCIK-UHFFFAOYSA-N 2 1 281.444 3.109 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCOC(C)(C)C ZINC000354739581 380546132 /nfs/dbraw/zinc/54/61/32/380546132.db2.gz VHTNCEJTAZZCIK-UHFFFAOYSA-N 2 1 281.444 3.109 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302930 380588311 /nfs/dbraw/zinc/58/83/11/380588311.db2.gz CFFKOKOTZXZZBU-FAAHXZRKSA-N 2 1 278.465 3.170 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000417308125 380589072 /nfs/dbraw/zinc/58/90/72/380589072.db2.gz FIUDYPWDXKHVOE-QMHWVQJVSA-N 2 1 290.476 3.457 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000417308125 380589074 /nfs/dbraw/zinc/58/90/74/380589074.db2.gz FIUDYPWDXKHVOE-QMHWVQJVSA-N 2 1 290.476 3.457 20 0 CGADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CC1(C)C ZINC000417332302 380595958 /nfs/dbraw/zinc/59/59/58/380595958.db2.gz XALASJDPXGFALL-CABCVRRESA-N 2 1 263.429 3.386 20 0 CGADMP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000355161624 380604507 /nfs/dbraw/zinc/60/45/07/380604507.db2.gz WENMOKNAYWSVRJ-OAHLLOKOSA-N 2 1 278.415 3.304 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000355161624 380604512 /nfs/dbraw/zinc/60/45/12/380604512.db2.gz WENMOKNAYWSVRJ-OAHLLOKOSA-N 2 1 278.415 3.304 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000355746965 380766864 /nfs/dbraw/zinc/76/68/64/380766864.db2.gz OTTSQUURWDBHKI-NSHDSACASA-N 2 1 287.338 3.428 20 0 CGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)[C@H]1OC ZINC000356706399 380831707 /nfs/dbraw/zinc/83/17/07/380831707.db2.gz XFMKZIMIBYKDRW-MZBWOGCUSA-N 2 1 294.483 3.043 20 0 CGADMP Fc1ccc([C@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420310454 380848126 /nfs/dbraw/zinc/84/81/26/380848126.db2.gz UZKHJCBWESGHNP-WMLDXEAASA-N 2 1 276.399 3.352 20 0 CGADMP CC(C)C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420321220 380849034 /nfs/dbraw/zinc/84/90/34/380849034.db2.gz QXXZIUPWXJCKJS-MRXNPFEDSA-N 2 1 260.425 3.144 20 0 CGADMP C[NH2+]CCC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420363924 380851126 /nfs/dbraw/zinc/85/11/26/380851126.db2.gz CEBWDBHIEWGPDU-HXUWFJFHSA-N 2 1 294.442 3.438 20 0 CGADMP C[C@H](C1CCC1)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000357021981 380991014 /nfs/dbraw/zinc/99/10/14/380991014.db2.gz JBCYCSPWDXOGML-CQSZACIVSA-N 2 1 269.392 3.493 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000357309876 381098553 /nfs/dbraw/zinc/09/85/53/381098553.db2.gz QGRSIIXXOZZVFC-UHFFFAOYSA-N 2 1 281.469 3.005 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504841 381313371 /nfs/dbraw/zinc/31/33/71/381313371.db2.gz IUYBVDGLNOOKBB-CYBMUJFWSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@H]3C)ccc2n1 ZINC000334834662 207160136 /nfs/dbraw/zinc/16/01/36/207160136.db2.gz YMXSGGTYONRBPY-KUHUBIRLSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@H]3C)ccc2n1 ZINC000334834662 207160139 /nfs/dbraw/zinc/16/01/39/207160139.db2.gz YMXSGGTYONRBPY-KUHUBIRLSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)ccc2n1 ZINC000334834662 207160142 /nfs/dbraw/zinc/16/01/42/207160142.db2.gz YMXSGGTYONRBPY-KUHUBIRLSA-N 2 1 297.446 3.315 20 0 CGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)ccc2n1 ZINC000334834662 207160144 /nfs/dbraw/zinc/16/01/44/207160144.db2.gz YMXSGGTYONRBPY-KUHUBIRLSA-N 2 1 297.446 3.315 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000360981342 381642005 /nfs/dbraw/zinc/64/20/05/381642005.db2.gz KCLRYCUCXAOTAJ-CGTJXYLNSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)CC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361315614 381689028 /nfs/dbraw/zinc/68/90/28/381689028.db2.gz LOYMVFBWVZSXHL-NUJGCVRESA-N 2 1 296.499 3.026 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000361317885 381691341 /nfs/dbraw/zinc/69/13/41/381691341.db2.gz DSCKPLUERCEIHH-QXAKKESOSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000361317885 381691348 /nfs/dbraw/zinc/69/13/48/381691348.db2.gz DSCKPLUERCEIHH-QXAKKESOSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000361317885 381691355 /nfs/dbraw/zinc/69/13/55/381691355.db2.gz DSCKPLUERCEIHH-QXAKKESOSA-N 2 1 284.447 3.206 20 0 CGADMP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000361496955 381775231 /nfs/dbraw/zinc/77/52/31/381775231.db2.gz ODAVQQJYIPNBLP-BZUAXINKSA-N 2 1 290.451 3.225 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000226541658 542291611 /nfs/dbraw/zinc/29/16/11/542291611.db2.gz GRTIFBVPBYIWQK-NVXWUHKLSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000334964799 207376227 /nfs/dbraw/zinc/37/62/27/207376227.db2.gz XJLSFSUZPVWESW-CYBMUJFWSA-N 2 1 261.413 3.197 20 0 CGADMP CC[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000334964800 207376751 /nfs/dbraw/zinc/37/67/51/207376751.db2.gz XJLSFSUZPVWESW-ZDUSSCGKSA-N 2 1 261.413 3.197 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251610038 542346782 /nfs/dbraw/zinc/34/67/82/542346782.db2.gz CBZVJCKXIKEUJY-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413526 542349451 /nfs/dbraw/zinc/34/94/51/542349451.db2.gz DPILZLPNGPPYMI-HYVNUMGLSA-N 2 1 258.409 3.212 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000280928406 195033779 /nfs/dbraw/zinc/03/37/79/195033779.db2.gz UVLAVEOWJFNCEV-HZPDHXFCSA-N 2 1 290.476 3.167 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(COC)c2)C[C@H]1C ZINC000353745281 220295013 /nfs/dbraw/zinc/29/50/13/220295013.db2.gz IJHWVFSDXZHUMN-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(COC)c2)C[C@H]1C ZINC000353745281 220295015 /nfs/dbraw/zinc/29/50/15/220295015.db2.gz IJHWVFSDXZHUMN-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(COC)c2)C[C@H]1C ZINC000353745281 220295017 /nfs/dbraw/zinc/29/50/17/220295017.db2.gz IJHWVFSDXZHUMN-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)ccc1F ZINC000423513667 533120558 /nfs/dbraw/zinc/12/05/58/533120558.db2.gz VNXHNRNNLRPHDA-IAQYHMDHSA-N 2 1 280.387 3.002 20 0 CGADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)ccc1SC ZINC000423259520 533121887 /nfs/dbraw/zinc/12/18/87/533121887.db2.gz FDSMVQODODXCDN-TZMCWYRMSA-N 2 1 296.480 3.441 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000576703598 335237280 /nfs/dbraw/zinc/23/72/80/335237280.db2.gz XYHDUVIESBZLEF-DOTOQJQBSA-N 2 1 260.425 3.097 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000290162631 542401280 /nfs/dbraw/zinc/40/12/80/542401280.db2.gz XREWBZISWHUGGY-MRXNPFEDSA-N 2 1 289.398 3.479 20 0 CGADMP COC[C@@H](CC(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000359935841 285218321 /nfs/dbraw/zinc/21/83/21/285218321.db2.gz QMEJVFQOBQDOLG-IAGOWNOFSA-N 2 1 284.488 3.149 20 0 CGADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000306473751 542420842 /nfs/dbraw/zinc/42/08/42/542420842.db2.gz VFYAAIOKKUSPKX-INIZCTEOSA-N 2 1 267.376 3.076 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2cccnc12 ZINC000335400368 542468335 /nfs/dbraw/zinc/46/83/35/542468335.db2.gz NFCBFBJISGOPCV-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348107740 542514683 /nfs/dbraw/zinc/51/46/83/542514683.db2.gz QPFCEHGHWSOEKM-OIISXLGYSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1nccc2ccccc21 ZINC000423549134 533385079 /nfs/dbraw/zinc/38/50/79/533385079.db2.gz HKJDVJJNUGWLME-CYBMUJFWSA-N 2 1 269.392 3.028 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000423353730 533402553 /nfs/dbraw/zinc/40/25/53/533402553.db2.gz CDTZVJZPOCHBPU-VXGBXAGGSA-N 2 1 252.789 3.133 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423263464 533567639 /nfs/dbraw/zinc/56/76/39/533567639.db2.gz OKJTVXHSTGAWRR-YJBOKZPZSA-N 2 1 289.467 3.290 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cc2cccnc2o1)[NH+]1CCCCC1 ZINC000449239115 533607778 /nfs/dbraw/zinc/60/77/78/533607778.db2.gz ICIJWKQEYYCLHL-AWEZNQCLSA-N 2 1 287.407 3.182 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cs1 ZINC000449038022 533621795 /nfs/dbraw/zinc/62/17/95/533621795.db2.gz QXUIFLPCDSDNOE-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cs1 ZINC000449038022 533621804 /nfs/dbraw/zinc/62/18/04/533621804.db2.gz QXUIFLPCDSDNOE-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cs1 ZINC000449038022 533621808 /nfs/dbraw/zinc/62/18/08/533621808.db2.gz QXUIFLPCDSDNOE-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cs1 ZINC000449038022 533621814 /nfs/dbraw/zinc/62/18/14/533621814.db2.gz QXUIFLPCDSDNOE-HNNXBMFYSA-N 2 1 278.465 3.220 20 0 CGADMP COc1cc(C)ccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000449283647 533665016 /nfs/dbraw/zinc/66/50/16/533665016.db2.gz LRXYYWZBARZBEI-UHFFFAOYSA-N 2 1 290.451 3.215 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000406133075 542628134 /nfs/dbraw/zinc/62/81/34/542628134.db2.gz XYEZSWHVRZOERN-GOEBONIOSA-N 2 1 264.457 3.277 20 0 CGADMP C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000048784581 392016031 /nfs/dbraw/zinc/01/60/31/392016031.db2.gz LSOYGIRXTVOKQF-UHFFFAOYSA-N 2 1 268.404 3.298 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC000417346431 542644339 /nfs/dbraw/zinc/64/43/39/542644339.db2.gz ZKTVVCMTFVZXDC-ULQDDVLXSA-N 2 1 270.420 3.212 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC000417346431 542644343 /nfs/dbraw/zinc/64/43/43/542644343.db2.gz ZKTVVCMTFVZXDC-ULQDDVLXSA-N 2 1 270.420 3.212 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000036908191 391979022 /nfs/dbraw/zinc/97/90/22/391979022.db2.gz MDDHMGGSIYYYCE-DTDBQYNISA-N 2 1 272.436 3.382 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000285846497 392338854 /nfs/dbraw/zinc/33/88/54/392338854.db2.gz XQXQHNFYMIYXQB-ZDUSSCGKSA-N 2 1 275.440 3.350 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000108372023 392341660 /nfs/dbraw/zinc/34/16/60/392341660.db2.gz UHQRUHPJIACWEH-UHFFFAOYSA-N 2 1 283.419 3.197 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(C)CCC2)c1 ZINC000434764205 542655417 /nfs/dbraw/zinc/65/54/17/542655417.db2.gz HXTRPUPPQJXLSL-UHFFFAOYSA-N 2 1 260.425 3.418 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000249383713 131121427 /nfs/dbraw/zinc/12/14/27/131121427.db2.gz WLBPQJMIMZQERT-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000249383713 131121428 /nfs/dbraw/zinc/12/14/28/131121428.db2.gz WLBPQJMIMZQERT-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000249379513 131121799 /nfs/dbraw/zinc/12/17/99/131121799.db2.gz PFELLGLQWJVJTP-HZPDHXFCSA-N 2 1 290.451 3.466 20 0 CGADMP CCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252668141 131135598 /nfs/dbraw/zinc/13/55/98/131135598.db2.gz SKSNSSHLHKHLBP-STQMWFEESA-N 2 1 264.438 3.027 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453108453 542679504 /nfs/dbraw/zinc/67/95/04/542679504.db2.gz NUCCNLXLRZZUMN-JKSUJKDBSA-N 2 1 277.456 3.113 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453314163 542681055 /nfs/dbraw/zinc/68/10/55/542681055.db2.gz XSCWTRSPPZKYSD-SPUZQDLCSA-N 2 1 272.436 3.458 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453314163 542681059 /nfs/dbraw/zinc/68/10/59/542681059.db2.gz XSCWTRSPPZKYSD-SPUZQDLCSA-N 2 1 272.436 3.458 20 0 CGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453294411 542681411 /nfs/dbraw/zinc/68/14/11/542681411.db2.gz FNAGGLZERYNCKC-RCCFBDPRSA-N 2 1 290.451 3.227 20 0 CGADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453294411 542681416 /nfs/dbraw/zinc/68/14/16/542681416.db2.gz FNAGGLZERYNCKC-RCCFBDPRSA-N 2 1 290.451 3.227 20 0 CGADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129105909 392451939 /nfs/dbraw/zinc/45/19/39/392451939.db2.gz JIMJLIPHKYEQKL-UXLLHSPISA-N 2 1 274.383 3.029 20 0 CGADMP CC(C)SCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367275162 392475153 /nfs/dbraw/zinc/47/51/53/392475153.db2.gz RZBGOTAHYPRPAU-GOEBONIOSA-N 2 1 282.497 3.077 20 0 CGADMP CC(C)SCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367275162 392475156 /nfs/dbraw/zinc/47/51/56/392475156.db2.gz RZBGOTAHYPRPAU-GOEBONIOSA-N 2 1 282.497 3.077 20 0 CGADMP CC(C)SCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367275162 392475162 /nfs/dbraw/zinc/47/51/62/392475162.db2.gz RZBGOTAHYPRPAU-GOEBONIOSA-N 2 1 282.497 3.077 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000152105407 392497160 /nfs/dbraw/zinc/49/71/60/392497160.db2.gz XHIFLJMMJMYWEQ-OLMNGRFOSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000156575857 392547822 /nfs/dbraw/zinc/54/78/22/392547822.db2.gz YDGYQYSEHDJGFS-MBNYWOFBSA-N 2 1 264.438 3.198 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)CC[N@H+]1C ZINC000156575857 392547828 /nfs/dbraw/zinc/54/78/28/392547828.db2.gz YDGYQYSEHDJGFS-MBNYWOFBSA-N 2 1 264.438 3.198 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173908375 392630191 /nfs/dbraw/zinc/63/01/91/392630191.db2.gz JCDWWSZJBRWNAL-NVXWUHKLSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173908375 392630197 /nfs/dbraw/zinc/63/01/97/392630197.db2.gz JCDWWSZJBRWNAL-NVXWUHKLSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173908375 392630199 /nfs/dbraw/zinc/63/01/99/392630199.db2.gz JCDWWSZJBRWNAL-NVXWUHKLSA-N 2 1 260.425 3.411 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000647283780 392635438 /nfs/dbraw/zinc/63/54/38/392635438.db2.gz MVDNYZGTKBKHRE-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479360 392735255 /nfs/dbraw/zinc/73/52/55/392735255.db2.gz DITLJAFGLPEFLG-WMZOPIPTSA-N 2 1 286.463 3.428 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482418 392736991 /nfs/dbraw/zinc/73/69/91/392736991.db2.gz DMNHENKNHDTFBA-HNNXBMFYSA-N 2 1 272.436 3.082 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000647497557 392740475 /nfs/dbraw/zinc/74/04/75/392740475.db2.gz MBVJPRXNNMKWDY-SJORKVTESA-N 2 1 260.425 3.198 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1[NH3+] ZINC000647498418 392742932 /nfs/dbraw/zinc/74/29/32/392742932.db2.gz GWALEJXAFHYOFU-WBVHZDCISA-N 2 1 288.435 3.035 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543675 392759553 /nfs/dbraw/zinc/75/95/53/392759553.db2.gz RALQEFGAWQWIPC-HZPDHXFCSA-N 2 1 290.426 3.346 20 0 CGADMP Clc1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543026 392760307 /nfs/dbraw/zinc/76/03/07/392760307.db2.gz GTXLZDVZUYMSJR-NWDGAFQWSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543026 392760320 /nfs/dbraw/zinc/76/03/20/392760320.db2.gz GTXLZDVZUYMSJR-NWDGAFQWSA-N 2 1 299.871 3.008 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543098 392760928 /nfs/dbraw/zinc/76/09/28/392760928.db2.gz HNTSZOZLGZUUBH-IAGOWNOFSA-N 2 1 290.426 3.346 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000184912977 392765545 /nfs/dbraw/zinc/76/55/45/392765545.db2.gz BHIDHSYSVBOREJ-KRWDZBQOSA-N 2 1 273.424 3.139 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000375637806 392797297 /nfs/dbraw/zinc/79/72/97/392797297.db2.gz DEPBDRJDZPYTIM-QAPCUYQASA-N 2 1 272.436 3.287 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510734071 392811420 /nfs/dbraw/zinc/81/14/20/392811420.db2.gz MZPRELBYFKSQQY-ZDUSSCGKSA-N 2 1 296.405 3.360 20 0 CGADMP Clc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647876421 392820192 /nfs/dbraw/zinc/82/01/92/392820192.db2.gz YNUSEDSTIACKEX-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP Clc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647876421 392820198 /nfs/dbraw/zinc/82/01/98/392820198.db2.gz YNUSEDSTIACKEX-IUODEOHRSA-N 2 1 264.800 3.086 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000647885750 392826754 /nfs/dbraw/zinc/82/67/54/392826754.db2.gz LZAOBFYHZBDPDJ-GOSISDBHSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1cc(NCCCC[N@H+]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000193986041 392892431 /nfs/dbraw/zinc/89/24/31/392892431.db2.gz FRGFUDZCKXRRAJ-CYBMUJFWSA-N 2 1 276.428 3.017 20 0 CGADMP Cc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000193986041 392892439 /nfs/dbraw/zinc/89/24/39/392892439.db2.gz FRGFUDZCKXRRAJ-CYBMUJFWSA-N 2 1 276.428 3.017 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000380835264 392905880 /nfs/dbraw/zinc/90/58/80/392905880.db2.gz LSFJHJYATKITJO-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000381453112 392908846 /nfs/dbraw/zinc/90/88/46/392908846.db2.gz HJNBWHZLQNFJFR-OLZOCXBDSA-N 2 1 252.427 3.049 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000401568496 392950558 /nfs/dbraw/zinc/95/05/58/392950558.db2.gz CORHBPTYLFOTRC-OAGGEKHMSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccc(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000195445588 392968464 /nfs/dbraw/zinc/96/84/64/392968464.db2.gz KXRNTCHPDHSLOQ-JSGCOSHPSA-N 2 1 278.827 3.363 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000648433217 393014113 /nfs/dbraw/zinc/01/41/13/393014113.db2.gz MQMKQKKFVRHDGN-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000648433217 393014118 /nfs/dbraw/zinc/01/41/18/393014118.db2.gz MQMKQKKFVRHDGN-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000343122262 393020135 /nfs/dbraw/zinc/02/01/35/393020135.db2.gz TYLJAJIUTDVUBZ-XFJVYGCCSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000343122262 393020142 /nfs/dbraw/zinc/02/01/42/393020142.db2.gz TYLJAJIUTDVUBZ-XFJVYGCCSA-N 2 1 278.827 3.400 20 0 CGADMP CCCC1CCC([N@@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000232913728 393026372 /nfs/dbraw/zinc/02/63/72/393026372.db2.gz FMQWYKQYLFUTEZ-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)[C@H](C)[NH3+] ZINC000415016164 393098624 /nfs/dbraw/zinc/09/86/24/393098624.db2.gz ZXLXQIUOHZEEQM-WDEREUQCSA-N 2 1 278.396 3.380 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000245547646 393042589 /nfs/dbraw/zinc/04/25/89/393042589.db2.gz XRUAFYADRIKAJC-FXUDXRNXSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000245547646 393042593 /nfs/dbraw/zinc/04/25/93/393042593.db2.gz XRUAFYADRIKAJC-FXUDXRNXSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000245547646 393042597 /nfs/dbraw/zinc/04/25/97/393042597.db2.gz XRUAFYADRIKAJC-FXUDXRNXSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000245547646 393042602 /nfs/dbraw/zinc/04/26/02/393042602.db2.gz XRUAFYADRIKAJC-FXUDXRNXSA-N 2 1 252.446 3.227 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414196901 393043957 /nfs/dbraw/zinc/04/39/57/393043957.db2.gz VNXGQKWJKZHBAI-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414710904 393053113 /nfs/dbraw/zinc/05/31/13/393053113.db2.gz SVPHOYZYVIAYOG-VNHYZAJKSA-N 2 1 278.465 3.445 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778504 393054831 /nfs/dbraw/zinc/05/48/31/393054831.db2.gz IYLHTZICZOTSRO-GJZGRUSLSA-N 2 1 278.827 3.162 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[NH2+]1 ZINC000414949109 393058729 /nfs/dbraw/zinc/05/87/29/393058729.db2.gz NAGJZLAUSLQCAR-GXTWGEPZSA-N 2 1 287.432 3.040 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000246885117 393066602 /nfs/dbraw/zinc/06/66/02/393066602.db2.gz IILPCDPAGKTXJS-DOTOQJQBSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccc([C@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000246885117 393066606 /nfs/dbraw/zinc/06/66/06/393066606.db2.gz IILPCDPAGKTXJS-DOTOQJQBSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccc([C@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000246885117 393066612 /nfs/dbraw/zinc/06/66/12/393066612.db2.gz IILPCDPAGKTXJS-DOTOQJQBSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)oc2cc1C ZINC000414959184 393067717 /nfs/dbraw/zinc/06/77/17/393067717.db2.gz PVDQYOFIWHGDJD-XJKSGUPXSA-N 2 1 272.392 3.137 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[NH2+]1 ZINC000414961430 393067735 /nfs/dbraw/zinc/06/77/35/393067735.db2.gz ZBGXVHQTKGOBJK-WDEREUQCSA-N 2 1 293.461 3.102 20 0 CGADMP C[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000246965625 393067932 /nfs/dbraw/zinc/06/79/32/393067932.db2.gz LLCMVKQCVVQQSS-ZSNVMCELSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050039 393112192 /nfs/dbraw/zinc/11/21/92/393112192.db2.gz IDBUKTLJVRMQMW-MRLCAUJQSA-N 2 1 295.515 3.007 20 0 CGADMP COc1ccc2cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc2c1 ZINC000415051927 393114310 /nfs/dbraw/zinc/11/43/10/393114310.db2.gz JZSUSKBPNHYFBU-KRWDZBQOSA-N 2 1 286.419 3.311 20 0 CGADMP Cc1cc(Br)ccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415054216 393117449 /nfs/dbraw/zinc/11/74/49/393117449.db2.gz LKTKXEWAPFUPTR-ZDUSSCGKSA-N 2 1 299.256 3.221 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000415057210 393120220 /nfs/dbraw/zinc/12/02/20/393120220.db2.gz RKNJGJFZMPHPCA-LBPRGKRZSA-N 2 1 274.330 3.168 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+]CCOc1ccc2ccccc2c1 ZINC000415079485 393134668 /nfs/dbraw/zinc/13/46/68/393134668.db2.gz HUWXISNGIXTKFC-KRWDZBQOSA-N 2 1 286.419 3.182 20 0 CGADMP CCc1noc(CC)c1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415089321 393140701 /nfs/dbraw/zinc/14/07/01/393140701.db2.gz WERJUXULMKKQPE-KGLIPLIRSA-N 2 1 293.455 3.200 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000415108455 393147003 /nfs/dbraw/zinc/14/70/03/393147003.db2.gz KTMKKKLSUQFCSN-QZTJIDSGSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000415108457 393147262 /nfs/dbraw/zinc/14/72/62/393147262.db2.gz KTMKKKLSUQFCSN-ZWKOTPCHSA-N 2 1 272.436 3.254 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415129706 393153828 /nfs/dbraw/zinc/15/38/28/393153828.db2.gz PLOBGKDDRHYJCD-WBVHZDCISA-N 2 1 290.451 3.282 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415136007 393155114 /nfs/dbraw/zinc/15/51/14/393155114.db2.gz WXQLHVMPAVQPRV-NVXWUHKLSA-N 2 1 290.451 3.138 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C[C@H]1C[NH3+] ZINC000415134938 393155481 /nfs/dbraw/zinc/15/54/81/393155481.db2.gz WLVODSZWWGFYPN-TZMCWYRMSA-N 2 1 293.480 3.217 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C[C@H]1C[NH3+] ZINC000415134938 393155491 /nfs/dbraw/zinc/15/54/91/393155491.db2.gz WLVODSZWWGFYPN-TZMCWYRMSA-N 2 1 293.480 3.217 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000353562969 393225766 /nfs/dbraw/zinc/22/57/66/393225766.db2.gz CYLZSDBUVXWOQX-HIFPTAJRSA-N 2 1 262.388 3.129 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000353562969 393225774 /nfs/dbraw/zinc/22/57/74/393225774.db2.gz CYLZSDBUVXWOQX-HIFPTAJRSA-N 2 1 262.388 3.129 20 0 CGADMP CCc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC000649287340 393391971 /nfs/dbraw/zinc/39/19/71/393391971.db2.gz SPVPZPPMZBVBFZ-IBGZPJMESA-N 2 1 295.430 3.355 20 0 CGADMP c1ccc(SCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420388000 393480948 /nfs/dbraw/zinc/48/09/48/393480948.db2.gz GVDHSOIIQQOYSD-DOTOQJQBSA-N 2 1 290.476 3.243 20 0 CGADMP CC[N@@H+](C[C@@H]1C[C@H]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488300657 393481138 /nfs/dbraw/zinc/48/11/38/393481138.db2.gz PLTJFEZFQHHRBW-NEWSRXKRSA-N 2 1 286.463 3.486 20 0 CGADMP CC[NH+](C[C@@H]1C[C@H]1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488300657 393481142 /nfs/dbraw/zinc/48/11/42/393481142.db2.gz PLTJFEZFQHHRBW-NEWSRXKRSA-N 2 1 286.463 3.486 20 0 CGADMP CC[NH+](C[C@@H]1C[C@H]1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488300657 393481144 /nfs/dbraw/zinc/48/11/44/393481144.db2.gz PLTJFEZFQHHRBW-NEWSRXKRSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)[C@@H]([NH3+])CCN(C)c1cc[nH+]c2ccsc21 ZINC000420209575 393437449 /nfs/dbraw/zinc/43/74/49/393437449.db2.gz TXWJGNMJTLDUFH-NSHDSACASA-N 2 1 263.410 3.106 20 0 CGADMP CC[C@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420298172 393453100 /nfs/dbraw/zinc/45/31/00/393453100.db2.gz GYBZYBFIZGANBL-RDJZCZTQSA-N 2 1 290.451 3.250 20 0 CGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000420297391 393453381 /nfs/dbraw/zinc/45/33/81/393453381.db2.gz DCBKRVZFPHWYSL-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420298174 393454138 /nfs/dbraw/zinc/45/41/38/393454138.db2.gz GYBZYBFIZGANBL-WBVHZDCISA-N 2 1 290.451 3.250 20 0 CGADMP C[C@H](C[N@@H+](C)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420296014 393454170 /nfs/dbraw/zinc/45/41/70/393454170.db2.gz CVTHAQSOUCPXEE-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420300690 393455735 /nfs/dbraw/zinc/45/57/35/393455735.db2.gz KJEYFKXWSXIRTD-AEFFLSMTSA-N 2 1 292.442 3.324 20 0 CGADMP C[C@@H]([NH3+])C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000420302037 393456262 /nfs/dbraw/zinc/45/62/62/393456262.db2.gz LUWWSCJTRGBLML-CQSZACIVSA-N 2 1 268.404 3.366 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420302830 393457171 /nfs/dbraw/zinc/45/71/71/393457171.db2.gz CCSNZMUJWRUERK-SUMWQHHRSA-N 2 1 276.399 3.264 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1c(F)cccc1F ZINC000420307136 393458302 /nfs/dbraw/zinc/45/83/02/393458302.db2.gz RFHBSPSGCWZRQK-ZDUSSCGKSA-N 2 1 282.378 3.176 20 0 CGADMP Clc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420315930 393460561 /nfs/dbraw/zinc/46/05/61/393460561.db2.gz LYEQSWQDKJEHNV-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc2ccccc2o1 ZINC000420311955 393461429 /nfs/dbraw/zinc/46/14/29/393461429.db2.gz WLHDLMSPGIJZQC-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(F)c1 ZINC000420317085 393464152 /nfs/dbraw/zinc/46/41/52/393464152.db2.gz NAFAUTVQUJDAFY-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000420315998 393464180 /nfs/dbraw/zinc/46/41/80/393464180.db2.gz MCNILAQNXMDCNB-DOTOQJQBSA-N 2 1 260.425 3.459 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000420321333 393464966 /nfs/dbraw/zinc/46/49/66/393464966.db2.gz RHDWLELFGKAAQL-ZDUSSCGKSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319852 393465054 /nfs/dbraw/zinc/46/50/54/393465054.db2.gz APOVARYJEZVPAO-VNQPRFMTSA-N 2 1 276.399 3.208 20 0 CGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(Cl)cc(Cl)c1 ZINC000420321123 393465366 /nfs/dbraw/zinc/46/53/66/393465366.db2.gz QTXXBCIAAKJERP-NSHDSACASA-N 2 1 287.234 3.425 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321087 393466553 /nfs/dbraw/zinc/46/65/53/393466553.db2.gz CHKKJMSHUWRDEC-MOPGFXCFSA-N 2 1 286.463 3.249 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326054 393468648 /nfs/dbraw/zinc/46/86/48/393468648.db2.gz JBPLPAPXHKTVOD-HUUCEWRRSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328914 393470203 /nfs/dbraw/zinc/47/02/03/393470203.db2.gz NLIRBTNHNXRGSJ-RBSFLKMASA-N 2 1 276.399 3.208 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000420358972 393471669 /nfs/dbraw/zinc/47/16/69/393471669.db2.gz JYHJABGCOJRBEM-HNNXBMFYSA-N 2 1 252.377 3.064 20 0 CGADMP Cc1ccccc1OCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420353792 393472935 /nfs/dbraw/zinc/47/29/35/393472935.db2.gz ATEOUXYKQVPJHW-QGZVFWFLSA-N 2 1 290.451 3.261 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000420357441 393473084 /nfs/dbraw/zinc/47/30/84/393473084.db2.gz HVFZOGQTXBDYOS-IBGZPJMESA-N 2 1 286.463 3.348 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000420375477 393477985 /nfs/dbraw/zinc/47/79/85/393477985.db2.gz PMLGXNWXXYXJDJ-IINYFYTJSA-N 2 1 297.240 3.227 20 0 CGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000647248716 393411315 /nfs/dbraw/zinc/41/13/15/393411315.db2.gz VVIIOHDTOGZQNE-MSOLQXFVSA-N 2 1 298.405 3.261 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000647248716 393411317 /nfs/dbraw/zinc/41/13/17/393411317.db2.gz VVIIOHDTOGZQNE-MSOLQXFVSA-N 2 1 298.405 3.261 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2C[C@H]2C)CC1)CC1CC1 ZINC000488332610 393489465 /nfs/dbraw/zinc/48/94/65/393489465.db2.gz LYEQUJKHWZWFBZ-CRAIPNDOSA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CS1 ZINC000488452836 393521040 /nfs/dbraw/zinc/52/10/40/393521040.db2.gz YNKFMEKTGQMAOM-OAGGEKHMSA-N 2 1 284.513 3.227 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000488465027 393523384 /nfs/dbraw/zinc/52/33/84/393523384.db2.gz UAYKEWSDRMYYEQ-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000488465027 393523390 /nfs/dbraw/zinc/52/33/90/393523390.db2.gz UAYKEWSDRMYYEQ-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430127216 393526973 /nfs/dbraw/zinc/52/69/73/393526973.db2.gz OVLOUQLIRTYYSN-MOPGFXCFSA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430127216 393526977 /nfs/dbraw/zinc/52/69/77/393526977.db2.gz OVLOUQLIRTYYSN-MOPGFXCFSA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430127216 393526978 /nfs/dbraw/zinc/52/69/78/393526978.db2.gz OVLOUQLIRTYYSN-MOPGFXCFSA-N 2 1 286.463 3.454 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC000649665606 393533010 /nfs/dbraw/zinc/53/30/10/393533010.db2.gz QBPVQAVOZMGYOG-CQSZACIVSA-N 2 1 289.448 3.304 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)CSc1ccccc1 ZINC000649665606 393533014 /nfs/dbraw/zinc/53/30/14/393533014.db2.gz QBPVQAVOZMGYOG-CQSZACIVSA-N 2 1 289.448 3.304 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420990785 393566407 /nfs/dbraw/zinc/56/64/07/393566407.db2.gz GQUPFESCHLOUIY-CABCVRRESA-N 2 1 282.378 3.457 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420990785 393566410 /nfs/dbraw/zinc/56/64/10/393566410.db2.gz GQUPFESCHLOUIY-CABCVRRESA-N 2 1 282.378 3.457 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccc2ccccc2c1 ZINC000430564662 393575897 /nfs/dbraw/zinc/57/58/97/393575897.db2.gz BZCQEQTVNRGLOI-SFHVURJKSA-N 2 1 268.404 3.066 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccc2ccccc2c1 ZINC000430564662 393575902 /nfs/dbraw/zinc/57/59/02/393575902.db2.gz BZCQEQTVNRGLOI-SFHVURJKSA-N 2 1 268.404 3.066 20 0 CGADMP Clc1oc2ccccc2c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856442 542820741 /nfs/dbraw/zinc/82/07/41/542820741.db2.gz ILWJPEUBLPGFID-NSHDSACASA-N 2 1 278.783 3.318 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000430707469 393589112 /nfs/dbraw/zinc/58/91/12/393589112.db2.gz GONVLDYIIRGNBS-FVQBIDKESA-N 2 1 250.430 3.053 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000430707468 393589334 /nfs/dbraw/zinc/58/93/34/393589334.db2.gz GONVLDYIIRGNBS-BMFZPTHFSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432414456 393611021 /nfs/dbraw/zinc/61/10/21/393611021.db2.gz KTEWITBHUBRWBC-IRXDYDNUSA-N 2 1 290.451 3.147 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432414456 393611023 /nfs/dbraw/zinc/61/10/23/393611023.db2.gz KTEWITBHUBRWBC-IRXDYDNUSA-N 2 1 290.451 3.147 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCCO1 ZINC000432416121 393612066 /nfs/dbraw/zinc/61/20/66/393612066.db2.gz FWDWJQXADNJYIB-NXHRZFHOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCCO1 ZINC000432416121 393612067 /nfs/dbraw/zinc/61/20/67/393612067.db2.gz FWDWJQXADNJYIB-NXHRZFHOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC(C)(C)C ZINC000361023093 393647203 /nfs/dbraw/zinc/64/72/03/393647203.db2.gz SDMHTYAJGBGKEV-UHFFFAOYSA-N 2 1 286.423 3.444 20 0 CGADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCCC2 ZINC000490603763 393648455 /nfs/dbraw/zinc/64/84/55/393648455.db2.gz SKCYVMDFCNVIJE-OALUTQOASA-N 2 1 284.447 3.282 20 0 CGADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCCC2 ZINC000490603763 393648460 /nfs/dbraw/zinc/64/84/60/393648460.db2.gz SKCYVMDFCNVIJE-OALUTQOASA-N 2 1 284.447 3.282 20 0 CGADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCCC2 ZINC000490603764 393648606 /nfs/dbraw/zinc/64/86/06/393648606.db2.gz SKCYVMDFCNVIJE-RBUKOAKNSA-N 2 1 284.447 3.282 20 0 CGADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCCC2 ZINC000490603764 393648608 /nfs/dbraw/zinc/64/86/08/393648608.db2.gz SKCYVMDFCNVIJE-RBUKOAKNSA-N 2 1 284.447 3.282 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CCC2 ZINC000423137628 393652307 /nfs/dbraw/zinc/65/23/07/393652307.db2.gz WNNRAAVPWPFUFD-IAOVAPTHSA-N 2 1 258.409 3.103 20 0 CGADMP C[C@H]([NH2+]CCC1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000432856932 393653665 /nfs/dbraw/zinc/65/36/65/393653665.db2.gz BZRKZRUOJMTSNM-DOTOQJQBSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2sccc21 ZINC000423258773 393656463 /nfs/dbraw/zinc/65/64/63/393656463.db2.gz CIUAPSOMYXJDSX-AAEUAGOBSA-N 2 1 252.427 3.089 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])c2cccc(Br)c21 ZINC000423281483 393659068 /nfs/dbraw/zinc/65/90/68/393659068.db2.gz BJYVTQVEDIBTEC-BXKDBHETSA-N 2 1 297.240 3.324 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)CC[NH2+]1 ZINC000423364903 393663587 /nfs/dbraw/zinc/66/35/87/393663587.db2.gz BMLFUMTXUPJWRY-XZUYRWCXSA-N 2 1 282.478 3.404 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423484167 393669817 /nfs/dbraw/zinc/66/98/17/393669817.db2.gz YIYZDJRPIJLUDX-WBMJQRKESA-N 2 1 271.408 3.181 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423499637 393672254 /nfs/dbraw/zinc/67/22/54/393672254.db2.gz CHWGEVWTRSJDFX-HSALFYBXSA-N 2 1 294.442 3.353 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccs1 ZINC000423535936 393673402 /nfs/dbraw/zinc/67/34/02/393673402.db2.gz YPLINRFGWDXYSJ-OLZOCXBDSA-N 2 1 252.427 3.306 20 0 CGADMP CC(C[NH+]1CC[C@@H](C2CC2)C1)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491232907 393674279 /nfs/dbraw/zinc/67/42/79/393674279.db2.gz UTVIFXVFDAIYFI-QZTJIDSGSA-N 2 1 276.468 3.086 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(C)(C)C1 ZINC000433139094 393689636 /nfs/dbraw/zinc/68/96/36/393689636.db2.gz VORSZVGRJOQLAN-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCOC1 ZINC000436285577 393716507 /nfs/dbraw/zinc/71/65/07/393716507.db2.gz OVMLCVWNGISRJB-NXHRZFHOSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000444608132 393790017 /nfs/dbraw/zinc/79/00/17/393790017.db2.gz KODYQERXXFISFC-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP Cc1ccc(C)c(OCC[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000499926931 393811722 /nfs/dbraw/zinc/81/17/22/393811722.db2.gz HONWHKRVQNZIIW-UHFFFAOYSA-N 2 1 290.451 3.100 20 0 CGADMP Cc1ccc(C)c(OCC[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000499926931 393811727 /nfs/dbraw/zinc/81/17/27/393811727.db2.gz HONWHKRVQNZIIW-UHFFFAOYSA-N 2 1 290.451 3.100 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1F ZINC000449264193 393877837 /nfs/dbraw/zinc/87/78/37/393877837.db2.gz LFWLZBOOHQUDKO-UHFFFAOYSA-N 2 1 276.399 3.194 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC12CCC2)C1CCCCC1 ZINC000502709244 393883235 /nfs/dbraw/zinc/88/32/35/393883235.db2.gz UVUHOUKYDYIYMA-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)COCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000501165981 393848202 /nfs/dbraw/zinc/84/82/02/393848202.db2.gz XLJNAFZERSHPOA-SFHVURJKSA-N 2 1 296.499 3.247 20 0 CGADMP CC(C)COCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000501165981 393848205 /nfs/dbraw/zinc/84/82/05/393848205.db2.gz XLJNAFZERSHPOA-SFHVURJKSA-N 2 1 296.499 3.247 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc2c1 ZINC000666996858 542833825 /nfs/dbraw/zinc/83/38/25/542833825.db2.gz IUJOYRAFEOEPCP-CQSZACIVSA-N 2 1 288.366 3.336 20 0 CGADMP CCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)COC1 ZINC000449605104 393917965 /nfs/dbraw/zinc/91/79/65/393917965.db2.gz MBIOPIUTEIVSMQ-AWEZNQCLSA-N 2 1 299.418 3.258 20 0 CGADMP Cc1ncc(C[N@H+]2CCCCC[C@H]2c2ccncc2)n1C ZINC000667470934 542872280 /nfs/dbraw/zinc/87/22/80/542872280.db2.gz QVKSVUQRSAPBAN-KRWDZBQOSA-N 2 1 284.407 3.241 20 0 CGADMP Cc1ncc(CN2CCCCC[C@H]2c2ccncc2)n1C ZINC000667470934 542872282 /nfs/dbraw/zinc/87/22/82/542872282.db2.gz QVKSVUQRSAPBAN-KRWDZBQOSA-N 2 1 284.407 3.241 20 0 CGADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C(C)(C)C ZINC000453062952 394157091 /nfs/dbraw/zinc/15/70/91/394157091.db2.gz RGOQJLLRLBIMFM-QGZVFWFLSA-N 2 1 297.531 3.209 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)c2nccn21 ZINC000453061435 394157419 /nfs/dbraw/zinc/15/74/19/394157419.db2.gz PIVHITOFROOCCP-OAGGEKHMSA-N 2 1 290.455 3.133 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453389354 394228142 /nfs/dbraw/zinc/22/81/42/394228142.db2.gz CEQRSEANTMUECQ-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(C2CCC2)CCC1 ZINC000453395454 394231715 /nfs/dbraw/zinc/23/17/15/394231715.db2.gz JUEHZLLZNJLTJJ-CVEARBPZSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000453404715 394235009 /nfs/dbraw/zinc/23/50/09/394235009.db2.gz BQBRUTHMDHHCGQ-TUVASFSCSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000453590078 394251371 /nfs/dbraw/zinc/25/13/71/394251371.db2.gz AHDSEEVVGHMGLS-UHFFFAOYSA-N 2 1 252.427 3.021 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453596977 394253533 /nfs/dbraw/zinc/25/35/33/394253533.db2.gz MQOWEAJRCPZFDV-ZBFHGGJFSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@H](c1ccco1)N(C)Cc1ccnn1-c1ccncc1 ZINC000667499411 542879035 /nfs/dbraw/zinc/87/90/35/542879035.db2.gz JIKVZSROLVJAOY-CYBMUJFWSA-N 2 1 282.347 3.053 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@H]2C2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000667569341 542891513 /nfs/dbraw/zinc/89/15/13/542891513.db2.gz IBLURZMKGDTYIR-KRWDZBQOSA-N 2 1 282.391 3.032 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]2C2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000667569341 542891515 /nfs/dbraw/zinc/89/15/15/542891515.db2.gz IBLURZMKGDTYIR-KRWDZBQOSA-N 2 1 282.391 3.032 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc21 ZINC000667667709 542911529 /nfs/dbraw/zinc/91/15/29/542911529.db2.gz UIAIOROVPAFTAJ-GDBMZVCRSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc21 ZINC000667667709 542911532 /nfs/dbraw/zinc/91/15/32/542911532.db2.gz UIAIOROVPAFTAJ-GDBMZVCRSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc21 ZINC000667667709 542911533 /nfs/dbraw/zinc/91/15/33/542911533.db2.gz UIAIOROVPAFTAJ-GDBMZVCRSA-N 2 1 285.435 3.391 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc21 ZINC000667667709 542911536 /nfs/dbraw/zinc/91/15/36/542911536.db2.gz UIAIOROVPAFTAJ-GDBMZVCRSA-N 2 1 285.435 3.391 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccncc3s2)CC[N@@H+]1C ZINC000667667946 542912312 /nfs/dbraw/zinc/91/23/12/542912312.db2.gz ZKYUEASJVWCFEQ-GXTWGEPZSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccncc3s2)CC[N@H+]1C ZINC000667667946 542912316 /nfs/dbraw/zinc/91/23/16/542912316.db2.gz ZKYUEASJVWCFEQ-GXTWGEPZSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccncc3s2)CC[NH+]1C ZINC000667667946 542912318 /nfs/dbraw/zinc/91/23/18/542912318.db2.gz ZKYUEASJVWCFEQ-GXTWGEPZSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccncc3s2)CC[NH+]1C ZINC000667667946 542912320 /nfs/dbraw/zinc/91/23/20/542912320.db2.gz ZKYUEASJVWCFEQ-GXTWGEPZSA-N 2 1 289.448 3.211 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@H+](Cc1cnc3n1CCC3)CC2 ZINC000668008582 542957872 /nfs/dbraw/zinc/95/78/72/542957872.db2.gz ZUUZQVVYZUDVQG-UHFFFAOYSA-N 2 1 281.403 3.004 20 0 CGADMP Cc1cc(C)c2c(c1)CN(Cc1cnc3n1CCC3)CC2 ZINC000668008582 542957873 /nfs/dbraw/zinc/95/78/73/542957873.db2.gz ZUUZQVVYZUDVQG-UHFFFAOYSA-N 2 1 281.403 3.004 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc21 ZINC000668063434 542964537 /nfs/dbraw/zinc/96/45/37/542964537.db2.gz MJRPHFOCBZDYPE-INIZCTEOSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc21 ZINC000668063434 542964540 /nfs/dbraw/zinc/96/45/40/542964540.db2.gz MJRPHFOCBZDYPE-INIZCTEOSA-N 2 1 285.435 3.392 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000469597880 292054704 /nfs/dbraw/zinc/05/47/04/292054704.db2.gz ZVJMQULOANJPHH-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(C)(C)C ZINC000670264875 543146669 /nfs/dbraw/zinc/14/66/69/543146669.db2.gz MDYHRUCAAFJJRN-GJZGRUSLSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC000670264914 543146752 /nfs/dbraw/zinc/14/67/52/543146752.db2.gz RAUWGTDDRRZWNM-CVEARBPZSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)C(C)(C)C)C1 ZINC000670265135 543148379 /nfs/dbraw/zinc/14/83/79/543148379.db2.gz QYQOKALLJXKYHY-LSDHHAIUSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265135 543148382 /nfs/dbraw/zinc/14/83/82/543148382.db2.gz QYQOKALLJXKYHY-LSDHHAIUSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265135 543148385 /nfs/dbraw/zinc/14/83/85/543148385.db2.gz QYQOKALLJXKYHY-LSDHHAIUSA-N 2 1 254.462 3.332 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H]2CCC[C@@H]21 ZINC000671738773 543183703 /nfs/dbraw/zinc/18/37/03/543183703.db2.gz OTXCBWKQYWHPBJ-IKGGRYGDSA-N 2 1 262.441 3.339 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916242 397609532 /nfs/dbraw/zinc/60/95/32/397609532.db2.gz LFNBXQUEVYINQP-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000302441641 397676463 /nfs/dbraw/zinc/67/64/63/397676463.db2.gz WLGBJGTVHLHRLU-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCc2ccc(F)cc21 ZINC000649894855 397746680 /nfs/dbraw/zinc/74/66/80/397746680.db2.gz WOIWOXYSDVKJIV-WMLDXEAASA-N 2 1 290.426 3.272 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCc2ccc(F)cc21 ZINC000649894855 397746682 /nfs/dbraw/zinc/74/66/82/397746682.db2.gz WOIWOXYSDVKJIV-WMLDXEAASA-N 2 1 290.426 3.272 20 0 CGADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCc2ccc(F)cc21 ZINC000649894855 397746686 /nfs/dbraw/zinc/74/66/86/397746686.db2.gz WOIWOXYSDVKJIV-WMLDXEAASA-N 2 1 290.426 3.272 20 0 CGADMP C[C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000650711568 397898724 /nfs/dbraw/zinc/89/87/24/397898724.db2.gz XOGOAGUFZHVFRI-DKJXMLAJSA-N 2 1 276.399 3.288 20 0 CGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000650711115 397899001 /nfs/dbraw/zinc/89/90/01/397899001.db2.gz IWOLWWCTAHFMOT-ZFWWWQNUSA-N 2 1 295.496 3.291 20 0 CGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000650711114 397899125 /nfs/dbraw/zinc/89/91/25/397899125.db2.gz IWOLWWCTAHFMOT-UKRRQHHQSA-N 2 1 295.496 3.291 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724153 397902782 /nfs/dbraw/zinc/90/27/82/397902782.db2.gz ZDIIKQGOSVTTCH-UYTYNIKBSA-N 2 1 294.483 3.174 20 0 CGADMP CC[N@@H+](CCCN[C@@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000650742433 397904874 /nfs/dbraw/zinc/90/48/74/397904874.db2.gz XWYKKIOUSVSKRW-ZWKOTPCHSA-N 2 1 295.515 3.281 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000675655009 543352386 /nfs/dbraw/zinc/35/23/86/543352386.db2.gz YYWFGHPOLZMDEE-FUHWJXTLSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000675816777 543367057 /nfs/dbraw/zinc/36/70/57/543367057.db2.gz KVIOEPQFYFTKQO-STQMWFEESA-N 2 1 277.437 3.110 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677241217 543441117 /nfs/dbraw/zinc/44/11/17/543441117.db2.gz NQCIDWMUFCHNSV-NJAFHUGGSA-N 2 1 272.436 3.315 20 0 CGADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000678138059 543487063 /nfs/dbraw/zinc/48/70/63/543487063.db2.gz ARSPBNPDFWPMJZ-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678139671 543487435 /nfs/dbraw/zinc/48/74/35/543487435.db2.gz BZONSHMWMCEQKF-GOSISDBHSA-N 2 1 290.451 3.247 20 0 CGADMP C[NH+](C)CCOc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000678240142 543499890 /nfs/dbraw/zinc/49/98/90/543499890.db2.gz FIZDDXADMPZPDE-UHFFFAOYSA-N 2 1 296.414 3.143 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000678771890 543555615 /nfs/dbraw/zinc/55/56/15/543555615.db2.gz RMPPWQQIVCBMRW-RVKKMQEKSA-N 2 1 272.436 3.241 20 0 CGADMP Cc1ccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420305999 292225502 /nfs/dbraw/zinc/22/55/02/292225502.db2.gz QFTLJZACNNRAMW-RDJZCZTQSA-N 2 1 290.476 3.085 20 0 CGADMP COCCC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000246916139 292377543 /nfs/dbraw/zinc/37/75/43/292377543.db2.gz GMLXPWPKKAIOBD-HZPDHXFCSA-N 2 1 270.461 3.046 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076453967 287033820 /nfs/dbraw/zinc/03/38/20/287033820.db2.gz WBQSFBRLYKDVFY-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248392086 287051825 /nfs/dbraw/zinc/05/18/25/287051825.db2.gz CUXZBFIFSQLQPD-UXLLHSPISA-N 2 1 287.451 3.385 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248403354 287052330 /nfs/dbraw/zinc/05/23/30/287052330.db2.gz OPPLLRFPRDQTMF-UXLLHSPISA-N 2 1 287.451 3.385 20 0 CGADMP Cn1cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016870 165321612 /nfs/dbraw/zinc/32/16/12/165321612.db2.gz FMNUWSJDCLOJSP-QGZVFWFLSA-N 2 1 289.467 3.113 20 0 CGADMP Cn1cccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016870 165321614 /nfs/dbraw/zinc/32/16/14/165321614.db2.gz FMNUWSJDCLOJSP-QGZVFWFLSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000094470713 165350363 /nfs/dbraw/zinc/35/03/63/165350363.db2.gz LGGGFHNSQCVBSB-WMLDXEAASA-N 2 1 290.476 3.135 20 0 CGADMP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000093067050 287114746 /nfs/dbraw/zinc/11/47/46/287114746.db2.gz PZZUGLBGEDLWAN-SJLPKXTDSA-N 2 1 274.452 3.187 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000094837350 165391058 /nfs/dbraw/zinc/39/10/58/165391058.db2.gz BLOCQONZBIKIAY-ZDUSSCGKSA-N 2 1 276.399 3.412 20 0 CGADMP CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000094278218 287122167 /nfs/dbraw/zinc/12/21/67/287122167.db2.gz HUVFJDXYERLNRC-UKRRQHHQSA-N 2 1 250.430 3.029 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000119237501 287166885 /nfs/dbraw/zinc/16/68/85/287166885.db2.gz MGEAGKCBIOIYJA-NVXWUHKLSA-N 2 1 290.451 3.214 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000119237501 287166887 /nfs/dbraw/zinc/16/68/87/287166887.db2.gz MGEAGKCBIOIYJA-NVXWUHKLSA-N 2 1 290.451 3.214 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000119237378 287167099 /nfs/dbraw/zinc/16/70/99/287167099.db2.gz MGEAGKCBIOIYJA-WBVHZDCISA-N 2 1 290.451 3.214 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000119237378 287167100 /nfs/dbraw/zinc/16/71/00/287167100.db2.gz MGEAGKCBIOIYJA-WBVHZDCISA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC000120908047 287189310 /nfs/dbraw/zinc/18/93/10/287189310.db2.gz AXQSUQAFHXRTSV-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124470533 287233881 /nfs/dbraw/zinc/23/38/81/287233881.db2.gz XQMPITAYCQMKDI-SJLPKXTDSA-N 2 1 297.531 3.064 20 0 CGADMP Cc1nccn1CCC[N@@H+](Cc1ccccc1)C(C)C ZINC000124779587 287236790 /nfs/dbraw/zinc/23/67/90/287236790.db2.gz FRSLWMRTZFDBKU-UHFFFAOYSA-N 2 1 271.408 3.492 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C(C)C ZINC000124779587 287236793 /nfs/dbraw/zinc/23/67/93/287236793.db2.gz FRSLWMRTZFDBKU-UHFFFAOYSA-N 2 1 271.408 3.492 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C(C)C ZINC000124779587 287236795 /nfs/dbraw/zinc/23/67/95/287236795.db2.gz FRSLWMRTZFDBKU-UHFFFAOYSA-N 2 1 271.408 3.492 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000020138270 171026126 /nfs/dbraw/zinc/02/61/26/171026126.db2.gz RVSKLEISMARMGU-OAHLLOKOSA-N 2 1 260.425 3.082 20 0 CGADMP CSc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000020189435 171055317 /nfs/dbraw/zinc/05/53/17/171055317.db2.gz AUNWNJGUSIWTAF-UHFFFAOYSA-N 2 1 278.465 3.371 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(SC)cc2)CC1 ZINC000020190087 171056992 /nfs/dbraw/zinc/05/69/92/171056992.db2.gz HPJBPYJDHKIFIS-UHFFFAOYSA-N 2 1 278.465 3.373 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC12CCC2 ZINC000337411593 287268310 /nfs/dbraw/zinc/26/83/10/287268310.db2.gz WGNWIRDEWCRXBZ-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP CSCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000285509247 196308189 /nfs/dbraw/zinc/30/81/89/196308189.db2.gz AZSXYYCCXBUMLJ-BBRMVZONSA-N 2 1 278.465 3.122 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285541972 196320734 /nfs/dbraw/zinc/32/07/34/196320734.db2.gz QASHUGHXJGXKNI-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccccc1CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285541972 196320736 /nfs/dbraw/zinc/32/07/36/196320736.db2.gz QASHUGHXJGXKNI-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccccc1CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285541972 196320737 /nfs/dbraw/zinc/32/07/37/196320737.db2.gz QASHUGHXJGXKNI-DFNIBXOVSA-N 2 1 286.463 3.485 20 0 CGADMP CCC[N@@H+](Cc1cc(C)cc(C)c1)C1CC[NH2+]CC1 ZINC000037539205 173260303 /nfs/dbraw/zinc/26/03/03/173260303.db2.gz FXBWEQATSVEKDA-UHFFFAOYSA-N 2 1 260.425 3.267 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000040591735 174347007 /nfs/dbraw/zinc/34/70/07/174347007.db2.gz QYWGBGZLCSHJRT-OAHLLOKOSA-N 2 1 268.404 3.271 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCCCCCC2)C1 ZINC000040620900 174355173 /nfs/dbraw/zinc/35/51/73/174355173.db2.gz YWYSKNHQABYOPU-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000040640485 174364558 /nfs/dbraw/zinc/36/45/58/174364558.db2.gz PCTUUWONHBJBDM-UHFFFAOYSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127993273 287300796 /nfs/dbraw/zinc/30/07/96/287300796.db2.gz UZPQDRDHEVLTOQ-DLBZAZTESA-N 2 1 272.436 3.181 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432817795 287306860 /nfs/dbraw/zinc/30/68/60/287306860.db2.gz UCKSAJJDGYZPON-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000071376976 176141823 /nfs/dbraw/zinc/14/18/23/176141823.db2.gz QMPXBGHUVUDZMQ-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000071376976 176141824 /nfs/dbraw/zinc/14/18/24/176141824.db2.gz QMPXBGHUVUDZMQ-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188365 416487886 /nfs/dbraw/zinc/48/78/86/416487886.db2.gz YIGILWALFJXUSB-DLBZAZTESA-N 2 1 258.409 3.102 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188365 416487890 /nfs/dbraw/zinc/48/78/90/416487890.db2.gz YIGILWALFJXUSB-DLBZAZTESA-N 2 1 258.409 3.102 20 0 CGADMP CC[C@@H]1C[N@@H+](CCOc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000316770466 416539833 /nfs/dbraw/zinc/53/98/33/416539833.db2.gz DWIMGMLSWGXQBN-BEFAXECRSA-N 2 1 298.430 3.278 20 0 CGADMP c1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)ccnc2c1 ZINC000316274315 416540102 /nfs/dbraw/zinc/54/01/02/416540102.db2.gz JCCPNZCDRXOQRH-AEFFLSMTSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2coc3ccccc23)[C@@H]1CC[NH3+] ZINC000404267813 416552709 /nfs/dbraw/zinc/55/27/09/416552709.db2.gz IPAYQLGLMGSFRW-XJKSGUPXSA-N 2 1 272.392 3.382 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)[C@H]1CC[NH3+] ZINC000404330063 416552802 /nfs/dbraw/zinc/55/28/02/416552802.db2.gz YLUOAALQVXZPRI-DOMZBBRYSA-N 2 1 298.377 3.237 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404403297 416554391 /nfs/dbraw/zinc/55/43/91/416554391.db2.gz SOFIWBUKWJYHNF-XJKSGUPXSA-N 2 1 264.388 3.083 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404403296 416554626 /nfs/dbraw/zinc/55/46/26/416554626.db2.gz SOFIWBUKWJYHNF-CZUORRHYSA-N 2 1 264.388 3.083 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070358786 416492649 /nfs/dbraw/zinc/49/26/49/416492649.db2.gz KKTSOLMRNBTQAI-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000122327852 416503788 /nfs/dbraw/zinc/50/37/88/416503788.db2.gz FKYGUGAMZSXCKS-WBVHZDCISA-N 2 1 276.424 3.035 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000133354810 416516995 /nfs/dbraw/zinc/51/69/95/416516995.db2.gz DZAYTVCYIUDAMQ-CQSZACIVSA-N 2 1 254.443 3.116 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCSCC(C)C ZINC000130321747 287352116 /nfs/dbraw/zinc/35/21/16/287352116.db2.gz GAISDEXSAFDQQK-UHFFFAOYSA-N 2 1 283.485 3.293 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCSCC(C)C ZINC000130321747 287352120 /nfs/dbraw/zinc/35/21/20/287352120.db2.gz GAISDEXSAFDQQK-UHFFFAOYSA-N 2 1 283.485 3.293 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000683141748 543898696 /nfs/dbraw/zinc/89/86/96/543898696.db2.gz NVNQZGRDDFWJIR-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000683141748 543898699 /nfs/dbraw/zinc/89/86/99/543898699.db2.gz NVNQZGRDDFWJIR-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021302 543960503 /nfs/dbraw/zinc/96/05/03/543960503.db2.gz NIRBXQSJCTWWSJ-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021302 543960505 /nfs/dbraw/zinc/96/05/05/543960505.db2.gz NIRBXQSJCTWWSJ-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021302 543960507 /nfs/dbraw/zinc/96/05/07/543960507.db2.gz NIRBXQSJCTWWSJ-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021302 543960510 /nfs/dbraw/zinc/96/05/10/543960510.db2.gz NIRBXQSJCTWWSJ-HNNXBMFYSA-N 2 1 285.435 3.332 20 0 CGADMP CC1=C[C@H](C)C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684682831 544025265 /nfs/dbraw/zinc/02/52/65/544025265.db2.gz FPFFJXWRJHRFHM-HNNXBMFYSA-N 2 1 288.435 3.025 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000684370313 543986921 /nfs/dbraw/zinc/98/69/21/543986921.db2.gz SILBYSDZABRXHK-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccccc2F)C1 ZINC000685455187 544073408 /nfs/dbraw/zinc/07/34/08/544073408.db2.gz CQRVSIDFWPSTBX-HZPDHXFCSA-N 2 1 292.442 3.467 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2coc3ccccc23)C1 ZINC000685470766 544077240 /nfs/dbraw/zinc/07/72/40/544077240.db2.gz QNAXHBFDRQXUFX-RHSMWYFYSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2coc3ccccc23)C1 ZINC000685470766 544077242 /nfs/dbraw/zinc/07/72/42/544077242.db2.gz QNAXHBFDRQXUFX-RHSMWYFYSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000685470766 544077243 /nfs/dbraw/zinc/07/72/43/544077243.db2.gz QNAXHBFDRQXUFX-RHSMWYFYSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+](C)CC1(C[NH2+][C@H]2CCCc3cccnc32)CCCC1 ZINC000684962235 544046718 /nfs/dbraw/zinc/04/67/18/544046718.db2.gz PUSKBMFVRJWUND-INIZCTEOSA-N 2 1 287.451 3.171 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC3(CC3)CC2)s1 ZINC000352706642 227173315 /nfs/dbraw/zinc/17/33/15/227173315.db2.gz PCZIBJOMXFSCPX-UHFFFAOYSA-N 2 1 279.453 3.017 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CCCCC1 ZINC000658326400 418935743 /nfs/dbraw/zinc/93/57/43/418935743.db2.gz DSWVLSFGKYUYMX-ZJPYXAASSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@@H+](CCCN[C@@H]1CC[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000650741903 418936198 /nfs/dbraw/zinc/93/61/98/418936198.db2.gz NUUSQHODZMTDBX-FUHWJXTLSA-N 2 1 295.515 3.009 20 0 CGADMP CC[N@H+](CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000650741903 418936203 /nfs/dbraw/zinc/93/62/03/418936203.db2.gz NUUSQHODZMTDBX-FUHWJXTLSA-N 3 1 295.515 3.009 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000650741903 418936206 /nfs/dbraw/zinc/93/62/06/418936206.db2.gz NUUSQHODZMTDBX-FUHWJXTLSA-N 3 1 295.515 3.009 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000652240489 418939979 /nfs/dbraw/zinc/93/99/79/418939979.db2.gz CXYKFCJRXCTLGN-QTMHVTGLSA-N 2 1 284.447 3.313 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](CC)C1CCCCC1)[C@H]1CCOC1 ZINC000652237302 418940096 /nfs/dbraw/zinc/94/00/96/418940096.db2.gz KQWUTJWKLDMVDE-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP c1cc2c(s1)CCC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000652337825 418954367 /nfs/dbraw/zinc/95/43/67/418954367.db2.gz MCACGFHUCVQPIO-UHFFFAOYSA-N 2 1 298.455 3.342 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC000652336868 418955171 /nfs/dbraw/zinc/95/51/71/418955171.db2.gz ITCSVGWTTIRPCA-HXUWFJFHSA-N 2 1 292.426 3.452 20 0 CGADMP C[C@@]1(c2cccc(F)c2)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000652350076 418957130 /nfs/dbraw/zinc/95/71/30/418957130.db2.gz FBGDQHNVJZQKIH-MAUKXSAKSA-N 2 1 290.426 3.179 20 0 CGADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCc1cncn1C ZINC000653558695 419047511 /nfs/dbraw/zinc/04/75/11/419047511.db2.gz PEQSBVIWJOGJAT-ZDUSSCGKSA-N 2 1 287.382 3.111 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC000659846726 419009579 /nfs/dbraw/zinc/00/95/79/419009579.db2.gz IMBCQVYHPVHSRC-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655734637 419081035 /nfs/dbraw/zinc/08/10/35/419081035.db2.gz LHKSAEYIDKWWJF-BZUAXINKSA-N 2 1 284.513 3.228 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000653777250 419083561 /nfs/dbraw/zinc/08/35/61/419083561.db2.gz YPXAKCQMGCMXQJ-INIZCTEOSA-N 2 1 261.413 3.007 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000653791515 419085818 /nfs/dbraw/zinc/08/58/18/419085818.db2.gz ZHPRGEVIFCKOCV-XJKSGUPXSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1F ZINC000653791515 419085820 /nfs/dbraw/zinc/08/58/20/419085820.db2.gz ZHPRGEVIFCKOCV-XJKSGUPXSA-N 2 1 264.388 3.351 20 0 CGADMP C1=C(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000655754762 419087527 /nfs/dbraw/zinc/08/75/27/419087527.db2.gz HBGQHUSWROMHLS-GOSISDBHSA-N 2 1 292.467 3.110 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237436 419088624 /nfs/dbraw/zinc/08/86/24/419088624.db2.gz AUTSWJKFUOVVCM-GJZGRUSLSA-N 2 1 272.417 3.385 20 0 CGADMP C[C@H](CCCC[NH3+])[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000665237425 419088803 /nfs/dbraw/zinc/08/88/03/419088803.db2.gz ANWGDTUCNWSJSK-LLVKDONJSA-N 2 1 274.330 3.025 20 0 CGADMP FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000665242393 419088868 /nfs/dbraw/zinc/08/88/68/419088868.db2.gz VYIMROSNLQHQPG-CFVMTHIKSA-N 2 1 298.352 3.293 20 0 CGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000665241730 419089461 /nfs/dbraw/zinc/08/94/61/419089461.db2.gz XCILDWJHTWZAMH-DVJFUJMWSA-N 2 1 276.399 3.395 20 0 CGADMP C[C@H]1CCCC[C@H]1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000660167214 419093308 /nfs/dbraw/zinc/09/33/08/419093308.db2.gz MRKHYKUUVNRAOK-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000660167214 419093312 /nfs/dbraw/zinc/09/33/12/419093312.db2.gz MRKHYKUUVNRAOK-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000660167214 419093315 /nfs/dbraw/zinc/09/33/15/419093315.db2.gz MRKHYKUUVNRAOK-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253486 419093667 /nfs/dbraw/zinc/09/36/67/419093667.db2.gz SDSHXEFXUWASQB-OUENDJJVSA-N 2 1 294.389 3.189 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCCC1 ZINC000665251611 419094164 /nfs/dbraw/zinc/09/41/64/419094164.db2.gz UHTFPIKBUWFGQE-BMGDILEWSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H](CC1CCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251278 419094307 /nfs/dbraw/zinc/09/43/07/419094307.db2.gz LNPYEPUOECCFSN-BMGDILEWSA-N 2 1 272.436 3.300 20 0 CGADMP c1ccc([C@@H](CC2CCC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278700 419101737 /nfs/dbraw/zinc/10/17/37/419101737.db2.gz MSHYTBLITACETM-IIIMJFFVSA-N 2 1 270.420 3.260 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000665297398 419110030 /nfs/dbraw/zinc/11/00/30/419110030.db2.gz FJSMAZYXYRPHST-WHOFXGATSA-N 2 1 266.816 3.174 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](OC)C2CCCCC2)CC1 ZINC000659983989 419055334 /nfs/dbraw/zinc/05/53/34/419055334.db2.gz ZYEMPABSRPZMAU-GOSISDBHSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@H](CC)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655683925 419063081 /nfs/dbraw/zinc/06/30/81/419063081.db2.gz JAFAUTMKEBTMBS-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655688284 419064843 /nfs/dbraw/zinc/06/48/43/419064843.db2.gz UZTMHKFXOYSGEU-YJBOKZPZSA-N 2 1 284.447 3.365 20 0 CGADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC1CCCCC1 ZINC000655689058 419066258 /nfs/dbraw/zinc/06/62/58/419066258.db2.gz URFQSGXKFWLFIO-GOSISDBHSA-N 2 1 294.483 3.190 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000660084299 419074868 /nfs/dbraw/zinc/07/48/68/419074868.db2.gz YCGMYHCVXCKAFV-RYQLBKOJSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000660084299 419074872 /nfs/dbraw/zinc/07/48/72/419074872.db2.gz YCGMYHCVXCKAFV-RYQLBKOJSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000660084299 419074876 /nfs/dbraw/zinc/07/48/76/419074876.db2.gz YCGMYHCVXCKAFV-RYQLBKOJSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(Cl)c1 ZINC000655941628 419129113 /nfs/dbraw/zinc/12/91/13/419129113.db2.gz XZLWUBAZXUPRNU-AWEZNQCLSA-N 2 1 266.816 3.126 20 0 CGADMP C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000655948707 419129593 /nfs/dbraw/zinc/12/95/93/419129593.db2.gz AGFLKZUVHCSBFO-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000656211643 419151763 /nfs/dbraw/zinc/15/17/63/419151763.db2.gz ILXLCGJRRQYMKZ-PHIMTYICSA-N 2 1 261.394 3.048 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656088 419176945 /nfs/dbraw/zinc/17/69/45/419176945.db2.gz PRBUSNYZFPJBAT-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656088 419176949 /nfs/dbraw/zinc/17/69/49/419176949.db2.gz PRBUSNYZFPJBAT-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656088 419176954 /nfs/dbraw/zinc/17/69/54/419176954.db2.gz PRBUSNYZFPJBAT-NVXWUHKLSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660665746 419178565 /nfs/dbraw/zinc/17/85/65/419178565.db2.gz XQZRSKQQRREEQL-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000660665746 419178568 /nfs/dbraw/zinc/17/85/68/419178568.db2.gz XQZRSKQQRREEQL-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660665746 419178569 /nfs/dbraw/zinc/17/85/69/419178569.db2.gz XQZRSKQQRREEQL-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP CSc1ccccc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665066 419180284 /nfs/dbraw/zinc/18/02/84/419180284.db2.gz TZFHEBUAYVCYBO-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665066 419180287 /nfs/dbraw/zinc/18/02/87/419180287.db2.gz TZFHEBUAYVCYBO-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665066 419180290 /nfs/dbraw/zinc/18/02/90/419180290.db2.gz TZFHEBUAYVCYBO-KRWDZBQOSA-N 2 1 290.476 3.326 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660665748 419180307 /nfs/dbraw/zinc/18/03/07/419180307.db2.gz XQZRSKQQRREEQL-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000660665748 419180309 /nfs/dbraw/zinc/18/03/09/419180309.db2.gz XQZRSKQQRREEQL-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660665748 419180310 /nfs/dbraw/zinc/18/03/10/419180310.db2.gz XQZRSKQQRREEQL-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1cccc(C2CCCC2)c1)C1CC1 ZINC000656786678 419219393 /nfs/dbraw/zinc/21/93/93/419219393.db2.gz OTHJFYMRNNXMPJ-QGZVFWFLSA-N 2 1 258.409 3.171 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000657179346 419229588 /nfs/dbraw/zinc/22/95/88/419229588.db2.gz JLEGXYPDDAXGAS-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2nccc3ccccc32)C1 ZINC000657182827 419229843 /nfs/dbraw/zinc/22/98/43/419229843.db2.gz GMUAZIKGTFJKCF-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678963 419326722 /nfs/dbraw/zinc/32/67/22/419326722.db2.gz XIZJYERNWXXIQJ-IJEWVQPXSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657678963 419326723 /nfs/dbraw/zinc/32/67/23/419326723.db2.gz XIZJYERNWXXIQJ-IJEWVQPXSA-N 2 1 250.430 3.172 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662157941 419345481 /nfs/dbraw/zinc/34/54/81/419345481.db2.gz QYGIVBQFUZIYOX-INIZCTEOSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662157941 419345485 /nfs/dbraw/zinc/34/54/85/419345485.db2.gz QYGIVBQFUZIYOX-INIZCTEOSA-N 2 1 275.440 3.397 20 0 CGADMP C(C[N@H+]1CC[C@H](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662306257 419388392 /nfs/dbraw/zinc/38/83/92/419388392.db2.gz PPZPJLKRRMTYFB-WBVHZDCISA-N 2 1 264.457 3.278 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc2ccncc2s1 ZINC000657891620 419412934 /nfs/dbraw/zinc/41/29/34/419412934.db2.gz TWULZJDABRBNLM-DYEKYZERSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2ccncc2s1 ZINC000657891620 419412944 /nfs/dbraw/zinc/41/29/44/419412944.db2.gz TWULZJDABRBNLM-DYEKYZERSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCSCC1 ZINC000657822797 419372681 /nfs/dbraw/zinc/37/26/81/419372681.db2.gz BGQBTHWLVXRMEQ-GJZGRUSLSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657839033 419380588 /nfs/dbraw/zinc/38/05/88/419380588.db2.gz KCUYLYAPCQOAHL-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP COc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1Cl ZINC000662273256 419381522 /nfs/dbraw/zinc/38/15/22/419381522.db2.gz NDANYJGFJMYKAY-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1Cl ZINC000662273256 419381527 /nfs/dbraw/zinc/38/15/27/419381527.db2.gz NDANYJGFJMYKAY-CYBMUJFWSA-N 2 1 282.815 3.052 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274375 419382413 /nfs/dbraw/zinc/38/24/13/419382413.db2.gz SOTKRTFKPGOXDN-DOTOQJQBSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274375 419382416 /nfs/dbraw/zinc/38/24/16/419382416.db2.gz SOTKRTFKPGOXDN-DOTOQJQBSA-N 2 1 272.436 3.168 20 0 CGADMP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1Cl ZINC000662286603 419384000 /nfs/dbraw/zinc/38/40/00/419384000.db2.gz RQEKXEUWXUATHC-GXTWGEPZSA-N 2 1 296.842 3.298 20 0 CGADMP COc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1Cl ZINC000662286603 419384007 /nfs/dbraw/zinc/38/40/07/419384007.db2.gz RQEKXEUWXUATHC-GXTWGEPZSA-N 2 1 296.842 3.298 20 0 CGADMP CC(C)(C)c1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000662283703 419384065 /nfs/dbraw/zinc/38/40/65/419384065.db2.gz PCCVSNSIYXXXRW-UHFFFAOYSA-N 2 1 272.436 3.312 20 0 CGADMP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347239 419567917 /nfs/dbraw/zinc/56/79/17/419567917.db2.gz HVCSDMCEZLRSSX-KYLNKMBASA-N 2 1 284.447 3.411 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC(CF)(CF)C1 ZINC000658026669 419501691 /nfs/dbraw/zinc/50/16/91/419501691.db2.gz WCWYOIRJCSKKQI-AWEZNQCLSA-N 2 1 288.426 3.174 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1F ZINC000663344598 419567035 /nfs/dbraw/zinc/56/70/35/419567035.db2.gz BTOGGDUJQKWUIE-KRWDZBQOSA-N 2 1 290.426 3.346 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000663477573 419633348 /nfs/dbraw/zinc/63/33/48/419633348.db2.gz GTVOKLNQCQUHIG-FRRDWIJNSA-N 2 1 292.389 3.427 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663347312 419570095 /nfs/dbraw/zinc/57/00/95/419570095.db2.gz KAPWNKUTPNBXMK-HNNXBMFYSA-N 2 1 278.465 3.268 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1F ZINC000663344599 419570189 /nfs/dbraw/zinc/57/01/89/419570189.db2.gz BTOGGDUJQKWUIE-QGZVFWFLSA-N 2 1 290.426 3.346 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465221 419615334 /nfs/dbraw/zinc/61/53/34/419615334.db2.gz IQDMIIBITJYKIP-SJLPKXTDSA-N 2 1 299.462 3.171 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465221 419615343 /nfs/dbraw/zinc/61/53/43/419615343.db2.gz IQDMIIBITJYKIP-SJLPKXTDSA-N 2 1 299.462 3.171 20 0 CGADMP C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466054 419616040 /nfs/dbraw/zinc/61/60/40/419616040.db2.gz NORSTSBFSWZJOZ-DLBZAZTESA-N 2 1 276.468 3.421 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCSCC1 ZINC000663464678 419617918 /nfs/dbraw/zinc/61/79/18/419617918.db2.gz FYKLFNCLQSBQTM-GOEBONIOSA-N 2 1 296.524 3.230 20 0 CGADMP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468868 419622532 /nfs/dbraw/zinc/62/25/32/419622532.db2.gz NBSWXPPKSVWXNQ-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC000658227737 419686931 /nfs/dbraw/zinc/68/69/31/419686931.db2.gz CCFJUFBKCWSLNQ-CTASWTNQSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC000658227737 419686936 /nfs/dbraw/zinc/68/69/36/419686936.db2.gz CCFJUFBKCWSLNQ-CTASWTNQSA-N 2 1 250.430 3.028 20 0 CGADMP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228781 419687410 /nfs/dbraw/zinc/68/74/10/419687410.db2.gz MLCIWLSADJPASU-XOSAIJSUSA-N 2 1 262.441 3.172 20 0 CGADMP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228781 419687419 /nfs/dbraw/zinc/68/74/19/419687419.db2.gz MLCIWLSADJPASU-XOSAIJSUSA-N 2 1 262.441 3.172 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000663510055 419641949 /nfs/dbraw/zinc/64/19/49/419641949.db2.gz OLEUBVSYGIVALI-ODIFPOPNSA-N 2 1 260.425 3.084 20 0 CGADMP C[NH+]1CCC([NH2+]CCc2cccc(Cl)c2Cl)CC1 ZINC000536881657 288509517 /nfs/dbraw/zinc/50/95/17/288509517.db2.gz IPVCTZLXGDIILF-UHFFFAOYSA-N 2 1 287.234 3.220 20 0 CGADMP C[C@H](CC1CC1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000222570392 260226174 /nfs/dbraw/zinc/22/61/74/260226174.db2.gz ZTTYZCHUCUFYCF-FMKPAKJESA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000222807947 260239563 /nfs/dbraw/zinc/23/95/63/260239563.db2.gz MVTQIIMITFVDBX-XQQFMLRXSA-N 2 1 252.427 3.272 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000222807947 260239565 /nfs/dbraw/zinc/23/95/65/260239565.db2.gz MVTQIIMITFVDBX-XQQFMLRXSA-N 2 1 252.427 3.272 20 0 CGADMP CCc1[nH+]c2ccccc2c(NCC2=CC[N@@H+](C)CC2)c1C ZINC000521486607 262302917 /nfs/dbraw/zinc/30/29/17/262302917.db2.gz QYHMPZDQRFGOEV-UHFFFAOYSA-N 2 1 295.430 3.201 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000040599016 270029863 /nfs/dbraw/zinc/02/98/63/270029863.db2.gz LMWHSBJZEMGMQU-QGZVFWFLSA-N 2 1 290.451 3.004 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000044532544 270036567 /nfs/dbraw/zinc/03/65/67/270036567.db2.gz DWCCRTQRYIFQCY-QWHCGFSZSA-N 2 1 266.454 3.303 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044532544 270036569 /nfs/dbraw/zinc/03/65/69/270036569.db2.gz DWCCRTQRYIFQCY-QWHCGFSZSA-N 2 1 266.454 3.303 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534654 270036741 /nfs/dbraw/zinc/03/67/41/270036741.db2.gz VBKVLOJGHHGVIE-KBPBESRZSA-N 2 1 278.465 3.401 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000044534103 270036889 /nfs/dbraw/zinc/03/68/89/270036889.db2.gz GRKNFSAQTWKHHY-ZIAGYGMSSA-N 2 1 272.392 3.425 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000044534103 270036891 /nfs/dbraw/zinc/03/68/91/270036891.db2.gz GRKNFSAQTWKHHY-ZIAGYGMSSA-N 2 1 272.392 3.425 20 0 CGADMP COc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)ccc2c1 ZINC000105480839 270047680 /nfs/dbraw/zinc/04/76/80/270047680.db2.gz SOJGQQIRUVORKB-LIRRHRJNSA-N 2 1 298.430 3.278 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190177378 270073066 /nfs/dbraw/zinc/07/30/66/270073066.db2.gz DWALWTXDRMGIQJ-QWHCGFSZSA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190177378 270073067 /nfs/dbraw/zinc/07/30/67/270073067.db2.gz DWALWTXDRMGIQJ-QWHCGFSZSA-N 2 1 292.389 3.381 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190177378 270073068 /nfs/dbraw/zinc/07/30/68/270073068.db2.gz DWALWTXDRMGIQJ-QWHCGFSZSA-N 2 1 292.389 3.381 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227872416 270087571 /nfs/dbraw/zinc/08/75/71/270087571.db2.gz DPTKHEMANDMTQZ-IMJJTQAJSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322849981 270094181 /nfs/dbraw/zinc/09/41/81/270094181.db2.gz OUUICVVXEMDVPM-MLQJFRMTSA-N 2 1 250.430 3.026 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)COC)CC1)CC(C)C ZINC000522036049 270104100 /nfs/dbraw/zinc/10/41/00/270104100.db2.gz LEKIRFZIQYBHRF-QGZVFWFLSA-N 2 1 298.515 3.349 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000527844542 270139107 /nfs/dbraw/zinc/13/91/07/270139107.db2.gz BJEGMCZFQHLFHI-QZTJIDSGSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000527850490 270139717 /nfs/dbraw/zinc/13/97/17/270139717.db2.gz XFEXFEVEVTUYLR-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(C)C)CC[N@H+]1C ZINC000527919011 270143871 /nfs/dbraw/zinc/14/38/71/270143871.db2.gz QIDRCHORCKSZCP-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C1=CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000527949588 270146492 /nfs/dbraw/zinc/14/64/92/270146492.db2.gz OGTKRVBMWNRLIE-HSALFYBXSA-N 2 1 296.458 3.453 20 0 CGADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000527972443 270147798 /nfs/dbraw/zinc/14/77/98/270147798.db2.gz ACHBQMONADNCBJ-XWIAVFTESA-N 2 1 299.418 3.399 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@H]2CCC[C@H]21 ZINC000527981783 270148277 /nfs/dbraw/zinc/14/82/77/270148277.db2.gz RSCCSSCRMWXFRF-WCXIOVBPSA-N 2 1 262.441 3.195 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC(C)(C)C2)C[C@H]1C ZINC000528398638 270163878 /nfs/dbraw/zinc/16/38/78/270163878.db2.gz UTPWXXKGNZXNBC-HIFRSBDPSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C[C@H]1C ZINC000528398638 270163879 /nfs/dbraw/zinc/16/38/79/270163879.db2.gz UTPWXXKGNZXNBC-HIFRSBDPSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C[C@H]1C ZINC000528398638 270163880 /nfs/dbraw/zinc/16/38/80/270163880.db2.gz UTPWXXKGNZXNBC-HIFRSBDPSA-N 2 1 252.446 3.227 20 0 CGADMP C/C(Cl)=C\C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528441731 270165869 /nfs/dbraw/zinc/16/58/69/270165869.db2.gz QWLIRDKWCISEEL-YJPQANQASA-N 2 1 270.848 3.372 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)[C@H]1CCCC[NH2+]1 ZINC000530215257 270195831 /nfs/dbraw/zinc/19/58/31/270195831.db2.gz FZEOIEPAZIJINK-SKPIDZIXSA-N 2 1 290.838 3.098 20 0 CGADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000530232100 270196924 /nfs/dbraw/zinc/19/69/24/270196924.db2.gz NDZOWUZBBZGCEQ-RHSMWYFYSA-N 2 1 290.426 3.393 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000530354992 270199364 /nfs/dbraw/zinc/19/93/64/270199364.db2.gz QIOUYKTUACRHSN-GOSISDBHSA-N 2 1 285.435 3.128 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000414253152 533688048 /nfs/dbraw/zinc/68/80/48/533688048.db2.gz ICYGIGIUYPHLBA-UHFFFAOYSA-N 2 1 286.341 3.198 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000181007245 273870252 /nfs/dbraw/zinc/87/02/52/273870252.db2.gz ROIJSRLMIQZEEG-IRXDYDNUSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1cccc2Br)[C@H](C)[NH3+] ZINC000423449496 274263936 /nfs/dbraw/zinc/26/39/36/274263936.db2.gz RRQBZENIXHYSBA-COMAGPEQSA-N 2 1 297.240 3.323 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000358339284 274294307 /nfs/dbraw/zinc/29/43/07/274294307.db2.gz XSNOVKVRZZZCKF-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000453253405 274340650 /nfs/dbraw/zinc/34/06/50/274340650.db2.gz POWUUMOFICUKFM-IIHSZXCVSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000134154595 274862554 /nfs/dbraw/zinc/86/25/54/274862554.db2.gz VLZIYIZLLCKARV-UNEWFSDZSA-N 2 1 275.440 3.410 20 0 CGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCS2 ZINC000038041201 274882386 /nfs/dbraw/zinc/88/23/86/274882386.db2.gz LYLIHJXPRMURGO-ZDUSSCGKSA-N 2 1 282.840 3.219 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CCCc3ccccc31)C2 ZINC000275502669 275073029 /nfs/dbraw/zinc/07/30/29/275073029.db2.gz JRBGBHYIGWHNGR-YOEHRIQHSA-N 2 1 281.403 3.113 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249401975 287813515 /nfs/dbraw/zinc/81/35/15/287813515.db2.gz VLVFLTVURPKEIW-UPJWGTAASA-N 2 1 280.378 3.427 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CCCCC1 ZINC000251197602 287832463 /nfs/dbraw/zinc/83/24/63/287832463.db2.gz UOLNWNYAKXBCLE-BZUAXINKSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)O[C@@H](C[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000428464829 275661125 /nfs/dbraw/zinc/66/11/25/275661125.db2.gz VXKIMOVZBMZLKL-SFHVURJKSA-N 2 1 290.451 3.179 20 0 CGADMP CC1CCC(C)(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459531582 275927388 /nfs/dbraw/zinc/92/73/88/275927388.db2.gz QOHUPFVANAXNNX-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000469330103 276018537 /nfs/dbraw/zinc/01/85/37/276018537.db2.gz OVPHNQMRMPBMCZ-WDSOQIARSA-N 2 1 288.479 3.431 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CCSC1)CC(C)C ZINC000486987633 276113882 /nfs/dbraw/zinc/11/38/82/276113882.db2.gz MRCCVSANPMXROB-HUUCEWRRSA-N 2 1 272.502 3.086 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000226339329 276184153 /nfs/dbraw/zinc/18/41/53/276184153.db2.gz HFHKMMPPWWQGIH-ZBFHGGJFSA-N 2 1 252.446 3.299 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCCC1 ZINC000313402840 276271608 /nfs/dbraw/zinc/27/16/08/276271608.db2.gz WOURSTKKZLHZRX-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000507458995 276681207 /nfs/dbraw/zinc/68/12/07/276681207.db2.gz FEDRHWLZFFYDTB-HOTGVXAUSA-N 2 1 289.467 3.417 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000271866921 277023506 /nfs/dbraw/zinc/02/35/06/277023506.db2.gz LPFAEONRHYPZQW-INIZCTEOSA-N 2 1 276.811 3.179 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3=CCCCC3)CC[C@@H]21 ZINC000450503163 277068113 /nfs/dbraw/zinc/06/81/13/277068113.db2.gz RGFONFHGZLEEJC-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]21 ZINC000450503163 277068114 /nfs/dbraw/zinc/06/81/14/277068114.db2.gz RGFONFHGZLEEJC-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3=CCCCC3)CC[C@@H]21 ZINC000450503163 277068115 /nfs/dbraw/zinc/06/81/15/277068115.db2.gz RGFONFHGZLEEJC-SJORKVTESA-N 2 1 262.441 3.293 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000513656582 277170193 /nfs/dbraw/zinc/17/01/93/277170193.db2.gz VMRHHKSWJOWRPT-HRCADAONSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000424325701 277173365 /nfs/dbraw/zinc/17/33/65/277173365.db2.gz OHLJBSNYEKQWRX-ICUGJSFKSA-N 2 1 288.410 3.086 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000424325701 277173366 /nfs/dbraw/zinc/17/33/66/277173366.db2.gz OHLJBSNYEKQWRX-ICUGJSFKSA-N 2 1 288.410 3.086 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334997202 277275581 /nfs/dbraw/zinc/27/55/81/277275581.db2.gz BBFFVDXPLDNVNP-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000358337929 277388841 /nfs/dbraw/zinc/38/88/41/277388841.db2.gz GCLOZMGVWKTBCI-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000358337929 277388843 /nfs/dbraw/zinc/38/88/43/277388843.db2.gz GCLOZMGVWKTBCI-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000409445177 277390114 /nfs/dbraw/zinc/39/01/14/277390114.db2.gz HTAOVYYIVQVVTP-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000409445177 277390115 /nfs/dbraw/zinc/39/01/15/277390115.db2.gz HTAOVYYIVQVVTP-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000409445177 277390116 /nfs/dbraw/zinc/39/01/16/277390116.db2.gz HTAOVYYIVQVVTP-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000409445176 277395027 /nfs/dbraw/zinc/39/50/27/277395027.db2.gz HTAOVYYIVQVVTP-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000409445176 277395028 /nfs/dbraw/zinc/39/50/28/277395028.db2.gz HTAOVYYIVQVVTP-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000409445176 277395029 /nfs/dbraw/zinc/39/50/29/277395029.db2.gz HTAOVYYIVQVVTP-HOTGVXAUSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000085098368 277730128 /nfs/dbraw/zinc/73/01/28/277730128.db2.gz FIPXNIJANOHMJL-IOASZLSFSA-N 2 1 250.430 3.028 20 0 CGADMP CSC1(C[NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCC1 ZINC000311361868 278125197 /nfs/dbraw/zinc/12/51/97/278125197.db2.gz BELOCWAARMSYTG-HUUCEWRRSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000447582003 278225008 /nfs/dbraw/zinc/22/50/08/278225008.db2.gz VSUDJICWVGUJHA-SQWLQELKSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000447582003 278225010 /nfs/dbraw/zinc/22/50/10/278225010.db2.gz VSUDJICWVGUJHA-SQWLQELKSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423286184 278279302 /nfs/dbraw/zinc/27/93/02/278279302.db2.gz ZUCYQIPFUSKYAN-OHBODLIOSA-N 2 1 284.856 3.220 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)[NH+]1CCCC1 ZINC000397753898 288029516 /nfs/dbraw/zinc/02/95/16/288029516.db2.gz PZWYLKCYCTUZAF-KFWWJZLASA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000364669219 278332119 /nfs/dbraw/zinc/33/21/19/278332119.db2.gz DSSWSKLTZZXSKM-AOCRQIFASA-N 2 1 294.483 3.332 20 0 CGADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000469984652 278334495 /nfs/dbraw/zinc/33/44/95/278334495.db2.gz UIQSCNFAHNBEJV-WBVHZDCISA-N 2 1 272.436 3.112 20 0 CGADMP CC1(C)Cc2cccc(C[N@H+]3CCCC[C@H]3CC[NH3+])c2O1 ZINC000080510058 278396535 /nfs/dbraw/zinc/39/65/35/278396535.db2.gz FZASXYBMQPONOO-INIZCTEOSA-N 2 1 288.435 3.103 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC(C)(C)C1 ZINC000415009972 278920832 /nfs/dbraw/zinc/92/08/32/278920832.db2.gz XXJJUOYFPFUWNA-JHJVBQTASA-N 2 1 274.399 3.036 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000449388066 278982430 /nfs/dbraw/zinc/98/24/30/278982430.db2.gz ZAAPYLSOTACYJS-SQNIBIBYSA-N 2 1 296.499 3.290 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1(C2CCC2)CCC1 ZINC000459595502 288099262 /nfs/dbraw/zinc/09/92/62/288099262.db2.gz NDLHBRJQTVFXAY-UHFFFAOYSA-N 2 1 262.441 3.173 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000338300272 279095983 /nfs/dbraw/zinc/09/59/83/279095983.db2.gz ZMUSECACNHYOBI-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000338300268 279096074 /nfs/dbraw/zinc/09/60/74/279096074.db2.gz ZMUSECACNHYOBI-CVEARBPZSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000362455211 288107633 /nfs/dbraw/zinc/10/76/33/288107633.db2.gz WSJDTJVGWLAXGS-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000275720013 279284997 /nfs/dbraw/zinc/28/49/97/279284997.db2.gz SLSJQYJFQSEZLN-BFYDXBDKSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccccc1 ZINC000275720013 279284998 /nfs/dbraw/zinc/28/49/98/279284998.db2.gz SLSJQYJFQSEZLN-BFYDXBDKSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000275720013 279284999 /nfs/dbraw/zinc/28/49/99/279284999.db2.gz SLSJQYJFQSEZLN-BFYDXBDKSA-N 2 1 260.425 3.062 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000275720013 279285000 /nfs/dbraw/zinc/28/50/00/279285000.db2.gz SLSJQYJFQSEZLN-BFYDXBDKSA-N 2 1 260.425 3.062 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000271246564 279354613 /nfs/dbraw/zinc/35/46/13/279354613.db2.gz JNIFGTAEMJAWSW-HNNXBMFYSA-N 2 1 277.456 3.134 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000271246564 279354616 /nfs/dbraw/zinc/35/46/16/279354616.db2.gz JNIFGTAEMJAWSW-HNNXBMFYSA-N 2 1 277.456 3.134 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000278306121 279355046 /nfs/dbraw/zinc/35/50/46/279355046.db2.gz SKYOWWWQUAXRPT-KRWDZBQOSA-N 2 1 275.440 3.253 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000520618936 288135184 /nfs/dbraw/zinc/13/51/84/288135184.db2.gz CAOOHPRHGHETQM-ZXYDQQDNSA-N 2 1 284.447 3.364 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000247032719 280186575 /nfs/dbraw/zinc/18/65/75/280186575.db2.gz MGNKKCIKHZXIHO-NVXWUHKLSA-N 2 1 292.471 3.115 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCCCC1 ZINC000481299435 280189980 /nfs/dbraw/zinc/18/99/80/280189980.db2.gz MLNUNGPVKOOTPV-HZPDHXFCSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449433754 280295997 /nfs/dbraw/zinc/29/59/97/280295997.db2.gz NRUSUZSMFHCKFF-KLHDSHLOSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000037140933 280976359 /nfs/dbraw/zinc/97/63/59/280976359.db2.gz UTVTWMYDBNGZFP-LBPRGKRZSA-N 2 1 264.438 3.334 20 0 CGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000423381158 281001723 /nfs/dbraw/zinc/00/17/23/281001723.db2.gz HTJFEMVHCBSERU-KGLIPLIRSA-N 2 1 250.430 3.077 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC000302702473 281168984 /nfs/dbraw/zinc/16/89/84/281168984.db2.gz BMQRXFXAWLQHGG-QAPCUYQASA-N 2 1 295.430 3.464 20 0 CGADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000530407472 288305706 /nfs/dbraw/zinc/30/57/06/288305706.db2.gz LGJKTVKLJBBVDK-MRXNPFEDSA-N 2 1 293.361 3.228 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000453453649 281305420 /nfs/dbraw/zinc/30/54/20/281305420.db2.gz SYDLKPRTUWCQIL-ARKGTOAJSA-N 2 1 252.446 3.129 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2C)[C@H](C)C1 ZINC000532471384 288363152 /nfs/dbraw/zinc/36/31/52/288363152.db2.gz XNQFKYRYUBQHST-SJORKVTESA-N 2 1 290.451 3.002 20 0 CGADMP CC(C[NH+]1C[C@H](C)C[C@@H]1C)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533432394 288381156 /nfs/dbraw/zinc/38/11/56/288381156.db2.gz ZKGBWZMRRKFEMM-VDERGJSUSA-N 2 1 252.446 3.083 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000414690229 282039515 /nfs/dbraw/zinc/03/95/15/282039515.db2.gz HKVWLJMUEBGBKD-UXIGCNINSA-N 2 1 293.480 3.149 20 0 CGADMP CC1=CC[NH+](CCCCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000533764873 288394230 /nfs/dbraw/zinc/39/42/30/288394230.db2.gz XIIJNBMHJUIRJC-UHFFFAOYSA-N 2 1 262.441 3.461 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000549139238 289035850 /nfs/dbraw/zinc/03/58/50/289035850.db2.gz URYZRUGNXVNYKM-INIZCTEOSA-N 2 1 262.441 3.454 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@H](C)C1 ZINC000550858031 289087257 /nfs/dbraw/zinc/08/72/57/289087257.db2.gz HECBRXRHVGAYBY-URGYJCLVSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000551006016 289094651 /nfs/dbraw/zinc/09/46/51/289094651.db2.gz OXKLQEOCWZXFJK-HOTGVXAUSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)C[C@H]1c1ccccc1 ZINC000551006016 289094655 /nfs/dbraw/zinc/09/46/55/289094655.db2.gz OXKLQEOCWZXFJK-HOTGVXAUSA-N 2 1 260.425 3.458 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CCCCN2C(C)C)C1 ZINC000551069990 289098136 /nfs/dbraw/zinc/09/81/36/289098136.db2.gz PPTBEXWLTZUVOA-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000552048517 289155094 /nfs/dbraw/zinc/15/50/94/289155094.db2.gz VUDJVIFUNMCYON-CVEARBPZSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000552048517 289155096 /nfs/dbraw/zinc/15/50/96/289155096.db2.gz VUDJVIFUNMCYON-CVEARBPZSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000552281254 289178542 /nfs/dbraw/zinc/17/85/42/289178542.db2.gz NWQZOQJOBAOPSK-HZPDHXFCSA-N 2 1 252.446 3.229 20 0 CGADMP CCc1[nH+]c2ccccc2c(NC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000554475780 289284369 /nfs/dbraw/zinc/28/43/69/289284369.db2.gz KBFCSSCRTGMZGU-HNNXBMFYSA-N 2 1 297.446 3.281 20 0 CGADMP CCc1[nH+]c2ccccc2c(NC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000554475783 289284385 /nfs/dbraw/zinc/28/43/85/289284385.db2.gz KBFCSSCRTGMZGU-OAHLLOKOSA-N 2 1 297.446 3.281 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168156 289331511 /nfs/dbraw/zinc/33/15/11/289331511.db2.gz PXXSPKFXCJAUKY-HZZCBIDNSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168156 289331512 /nfs/dbraw/zinc/33/15/12/289331512.db2.gz PXXSPKFXCJAUKY-HZZCBIDNSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168154 289331545 /nfs/dbraw/zinc/33/15/45/289331545.db2.gz PXXSPKFXCJAUKY-GPFWEFOESA-N 2 1 284.447 3.395 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168154 289331546 /nfs/dbraw/zinc/33/15/46/289331546.db2.gz PXXSPKFXCJAUKY-GPFWEFOESA-N 2 1 284.447 3.395 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000558241481 289480922 /nfs/dbraw/zinc/48/09/22/289480922.db2.gz QNJZWQWSZTYQSM-LVQVYYBASA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC(C(C)C)C(C)C ZINC000560050093 289568525 /nfs/dbraw/zinc/56/85/25/289568525.db2.gz ZAMDPJCTDBWAIG-AWEZNQCLSA-N 2 1 265.445 3.345 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449178667 290017248 /nfs/dbraw/zinc/01/72/48/290017248.db2.gz XXVBZHLNZGQEPP-LJIZCISZSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCC[C@H]1C ZINC000449178667 290017251 /nfs/dbraw/zinc/01/72/51/290017251.db2.gz XXVBZHLNZGQEPP-LJIZCISZSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000423356896 290060162 /nfs/dbraw/zinc/06/01/62/290060162.db2.gz HLQGGTOBIROAFK-CJQNXBEJSA-N 2 1 292.389 3.331 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697378 290264332 /nfs/dbraw/zinc/26/43/32/290264332.db2.gz HABDRGKYPNWZDS-UTUOFQBUSA-N 2 1 252.789 3.070 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CCCCC1 ZINC000423268856 295264213 /nfs/dbraw/zinc/26/42/13/295264213.db2.gz VESSASYBVGUQID-RUXDESIVSA-N 2 1 274.399 3.308 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000423310404 295295250 /nfs/dbraw/zinc/29/52/50/295295250.db2.gz AIWOGZYSISPEMY-DLBZAZTESA-N 2 1 276.399 3.384 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423365099 297109713 /nfs/dbraw/zinc/10/97/13/297109713.db2.gz CVGOZXQBWJIIFK-KCPJHIHWSA-N 2 1 294.826 3.141 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414684817 297251919 /nfs/dbraw/zinc/25/19/19/297251919.db2.gz WXMCTLVWZPRKAX-HLLBOEOZSA-N 2 1 258.409 3.212 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856936 298918532 /nfs/dbraw/zinc/91/85/32/298918532.db2.gz ZSLYGARTQYEDHO-DYVFJYSZSA-N 2 1 278.415 3.254 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3cccc(F)c3[C@H]2C)CC[NH2+]1 ZINC000563796195 322010347 /nfs/dbraw/zinc/01/03/47/322010347.db2.gz UQFKTKWZUBQLFI-MCIONIFRSA-N 2 1 276.399 3.133 20 0 CGADMP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(F)cc1F ZINC000564822919 322044855 /nfs/dbraw/zinc/04/48/55/322044855.db2.gz QAXAMTNUOJTXTA-OAHLLOKOSA-N 2 1 270.367 3.394 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000564844120 322045710 /nfs/dbraw/zinc/04/57/10/322045710.db2.gz IVWUOWACWNJDDZ-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP CC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000565866517 322094567 /nfs/dbraw/zinc/09/45/67/322094567.db2.gz VWUDBVHUHJTZIU-QZTJIDSGSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566416370 322121463 /nfs/dbraw/zinc/12/14/63/322121463.db2.gz LEDXQDVHKCHBQD-YPMHNXCESA-N 2 1 289.345 3.016 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000566416370 322121464 /nfs/dbraw/zinc/12/14/64/322121464.db2.gz LEDXQDVHKCHBQD-YPMHNXCESA-N 2 1 289.345 3.016 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000566423877 322122604 /nfs/dbraw/zinc/12/26/04/322122604.db2.gz GOPVWBSPCNRMLS-QGZVFWFLSA-N 2 1 283.419 3.232 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000566423877 322122606 /nfs/dbraw/zinc/12/26/06/322122606.db2.gz GOPVWBSPCNRMLS-QGZVFWFLSA-N 2 1 283.419 3.232 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CC[C@H]2C2CC2)([NH+](C)C)C1 ZINC000567261401 322156558 /nfs/dbraw/zinc/15/65/58/322156558.db2.gz JMQBKPHUYWOLBV-IWCQGFGOSA-N 2 1 264.457 3.275 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000567269482 322157011 /nfs/dbraw/zinc/15/70/11/322157011.db2.gz HLBCRUZSRPLRRQ-ZIAGYGMSSA-N 2 1 278.465 3.132 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000567638961 322171832 /nfs/dbraw/zinc/17/18/32/322171832.db2.gz ALPKVGJLHHYQRC-LBPRGKRZSA-N 2 1 284.831 3.387 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000567868185 322180748 /nfs/dbraw/zinc/18/07/48/322180748.db2.gz VVSGEMHFNWTVBZ-BQJWPVKWSA-N 2 1 294.483 3.185 20 0 CGADMP CCCC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CCC1 ZINC000568643144 322217365 /nfs/dbraw/zinc/21/73/65/322217365.db2.gz CIOVALKYPJSBIN-MRXNPFEDSA-N 2 1 263.429 3.301 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]2CCCC[C@H]12 ZINC000568748687 322220938 /nfs/dbraw/zinc/22/09/38/322220938.db2.gz AOIQBPBZRYZOKG-DJIMGWMZSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000568768401 322222146 /nfs/dbraw/zinc/22/21/46/322222146.db2.gz RHJJMEOOCGBLMJ-IAGOWNOFSA-N 2 1 296.499 3.028 20 0 CGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000569469085 322248209 /nfs/dbraw/zinc/24/82/09/322248209.db2.gz MWZHWJHHDSDGHT-GDBMZVCRSA-N 2 1 263.429 3.301 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCc1cncn1C ZINC000569706732 322254900 /nfs/dbraw/zinc/25/49/00/322254900.db2.gz SBEYBQNDYGIOIG-GDBMZVCRSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(-c2ccncc2)c1 ZINC000570271900 322269359 /nfs/dbraw/zinc/26/93/59/322269359.db2.gz NHGUZYJSWMDXQM-SCLBCKFNSA-N 2 1 281.403 3.137 20 0 CGADMP FCC1([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000570279468 322269548 /nfs/dbraw/zinc/26/95/48/322269548.db2.gz PQTFTYSHMWXZLJ-UHFFFAOYSA-N 2 1 268.420 3.265 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2C=CCCCCC2)C1 ZINC000570502638 322275032 /nfs/dbraw/zinc/27/50/32/322275032.db2.gz HOGSHRXCCKSWIN-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000570502638 322275034 /nfs/dbraw/zinc/27/50/34/322275034.db2.gz HOGSHRXCCKSWIN-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000570502638 322275035 /nfs/dbraw/zinc/27/50/35/322275035.db2.gz HOGSHRXCCKSWIN-HOTGVXAUSA-N 2 1 250.430 3.149 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000570736168 322281155 /nfs/dbraw/zinc/28/11/55/322281155.db2.gz JGTPFVZNFAQWTD-UHFFFAOYSA-N 2 1 286.463 3.378 20 0 CGADMP CCCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CCC1 ZINC000572409372 322336026 /nfs/dbraw/zinc/33/60/26/322336026.db2.gz KRSMDEPPGNXKRN-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000572494008 322340134 /nfs/dbraw/zinc/34/01/34/322340134.db2.gz HNPGWYIFBXNZNB-MRXNPFEDSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000572494008 322340137 /nfs/dbraw/zinc/34/01/37/322340137.db2.gz HNPGWYIFBXNZNB-MRXNPFEDSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccccc1[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000572494008 322340140 /nfs/dbraw/zinc/34/01/40/322340140.db2.gz HNPGWYIFBXNZNB-MRXNPFEDSA-N 2 1 283.419 3.151 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000572924463 322361272 /nfs/dbraw/zinc/36/12/72/322361272.db2.gz SSBGIYDXKMMJTO-BMFZPTHFSA-N 2 1 252.446 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000572924463 322361274 /nfs/dbraw/zinc/36/12/74/322361274.db2.gz SSBGIYDXKMMJTO-BMFZPTHFSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000584299050 327229363 /nfs/dbraw/zinc/22/93/63/327229363.db2.gz OGOOPUPZTOVLIU-YLFCFFPRSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000584299050 327229364 /nfs/dbraw/zinc/22/93/64/327229364.db2.gz OGOOPUPZTOVLIU-YLFCFFPRSA-N 2 1 294.483 3.044 20 0 CGADMP CCSc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000583381692 327335035 /nfs/dbraw/zinc/33/50/35/327335035.db2.gz WTVCGSOLSDIJKS-KRWDZBQOSA-N 2 1 290.476 3.374 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000583381692 327335036 /nfs/dbraw/zinc/33/50/36/327335036.db2.gz WTVCGSOLSDIJKS-KRWDZBQOSA-N 2 1 290.476 3.374 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000582428452 328987920 /nfs/dbraw/zinc/98/79/20/328987920.db2.gz NWWJSDBTRYBFAZ-UHFFFAOYSA-N 2 1 289.810 3.285 20 0 CGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582467028 329088613 /nfs/dbraw/zinc/08/86/13/329088613.db2.gz JLGRSPXQHCNRST-YVSFHVDLSA-N 2 1 296.499 3.433 20 0 CGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582467028 329088614 /nfs/dbraw/zinc/08/86/14/329088614.db2.gz JLGRSPXQHCNRST-YVSFHVDLSA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582467088 329088701 /nfs/dbraw/zinc/08/87/01/329088701.db2.gz YZYNUKZUZHRGTD-YYIAUSFCSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582467088 329088703 /nfs/dbraw/zinc/08/87/03/329088703.db2.gz YZYNUKZUZHRGTD-YYIAUSFCSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCC3CCCCC3)[C@H]2C1 ZINC000582513809 329099527 /nfs/dbraw/zinc/09/95/27/329099527.db2.gz QPHJWICWARFTNP-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCC3CCCCC3)[C@H]2C1 ZINC000582513809 329099529 /nfs/dbraw/zinc/09/95/29/329099529.db2.gz QPHJWICWARFTNP-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCC3CCCCC3)[C@H]2C1 ZINC000582513809 329099530 /nfs/dbraw/zinc/09/95/30/329099530.db2.gz QPHJWICWARFTNP-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCC3CCCCC3)[C@H]2C1 ZINC000582513809 329099531 /nfs/dbraw/zinc/09/95/31/329099531.db2.gz QPHJWICWARFTNP-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000582514934 329099758 /nfs/dbraw/zinc/09/97/58/329099758.db2.gz ZJUHUNWIQLMHEK-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000582514934 329099760 /nfs/dbraw/zinc/09/97/60/329099760.db2.gz ZJUHUNWIQLMHEK-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000582514934 329099761 /nfs/dbraw/zinc/09/97/61/329099761.db2.gz ZJUHUNWIQLMHEK-CZUORRHYSA-N 2 1 280.843 3.420 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000395125174 329276928 /nfs/dbraw/zinc/27/69/28/329276928.db2.gz BOZSQUFMCNZODI-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000582885993 329285492 /nfs/dbraw/zinc/28/54/92/329285492.db2.gz VYIVSCMIZRMCOD-VSZNYVQBSA-N 2 1 296.499 3.289 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414191422 533709586 /nfs/dbraw/zinc/70/95/86/533709586.db2.gz SLXRYOKBBCMMDY-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643228 330144949 /nfs/dbraw/zinc/14/49/49/330144949.db2.gz FPWNJPSURHKALT-DOTOQJQBSA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643228 330144950 /nfs/dbraw/zinc/14/49/50/330144950.db2.gz FPWNJPSURHKALT-DOTOQJQBSA-N 2 1 260.425 3.429 20 0 CGADMP CC(C)[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000576703601 335237177 /nfs/dbraw/zinc/23/71/77/335237177.db2.gz XYHDUVIESBZLEF-WBVHZDCISA-N 2 1 260.425 3.097 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(SC)CC2)CC1 ZINC000577071353 335295245 /nfs/dbraw/zinc/29/52/45/335295245.db2.gz KPKWHQGGZIMPDS-UHFFFAOYSA-N 2 1 284.513 3.326 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192824016 335307572 /nfs/dbraw/zinc/30/75/72/335307572.db2.gz YDAHDFLEXYSHDO-KSSFIOAISA-N 2 1 298.434 3.364 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577280639 335334689 /nfs/dbraw/zinc/33/46/89/335334689.db2.gz BSZYAQKLGDDEME-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577280639 335334691 /nfs/dbraw/zinc/33/46/91/335334691.db2.gz BSZYAQKLGDDEME-BBRMVZONSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000581191196 336021949 /nfs/dbraw/zinc/02/19/49/336021949.db2.gz PKFBNWCJPWLCFI-NXHRZFHOSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC000383598888 336115038 /nfs/dbraw/zinc/11/50/38/336115038.db2.gz UNFXJXBYRFWEJS-GOEBONIOSA-N 2 1 258.409 3.039 20 0 CGADMP Cc1ccsc1C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000383615878 336115525 /nfs/dbraw/zinc/11/55/25/336115525.db2.gz GTAOMBJCUYOXQS-UHFFFAOYSA-N 2 1 286.444 3.334 20 0 CGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000582011038 336191528 /nfs/dbraw/zinc/19/15/28/336191528.db2.gz NRQMXOLOVZXSPJ-SJORKVTESA-N 2 1 292.467 3.066 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000037643904 521711018 /nfs/dbraw/zinc/71/10/18/521711018.db2.gz XCLDRHAMHUKFBP-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[C@@H](C[NH3+])C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423306059 533772479 /nfs/dbraw/zinc/77/24/79/533772479.db2.gz LCRMEYWXGHCVFM-SCLBCKFNSA-N 2 1 295.386 3.102 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000423270879 533777173 /nfs/dbraw/zinc/77/71/73/533777173.db2.gz XDXVJWLDYKXHCG-SUMWQHHRSA-N 2 1 276.424 3.253 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423373737 533793297 /nfs/dbraw/zinc/79/32/97/533793297.db2.gz SDSHXEFXUWASQB-NYUZSIGZSA-N 2 1 294.389 3.189 20 0 CGADMP C[C@@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424379371 533808843 /nfs/dbraw/zinc/80/88/43/533808843.db2.gz ONRZCGGNVMODNX-LSDHHAIUSA-N 2 1 290.426 3.393 20 0 CGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc2ccccc21 ZINC000449034962 533818758 /nfs/dbraw/zinc/81/87/58/533818758.db2.gz LQWLLEHCEFLHKM-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc2ccccc21 ZINC000449034962 533818764 /nfs/dbraw/zinc/81/87/64/533818764.db2.gz LQWLLEHCEFLHKM-HNNXBMFYSA-N 2 1 298.430 3.232 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(F)c1 ZINC000423259505 533996061 /nfs/dbraw/zinc/99/60/61/533996061.db2.gz FBBHVPZLAGCOKK-BLLLJJGKSA-N 2 1 264.388 3.384 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)C[NH+](C)C ZINC000425943173 534080448 /nfs/dbraw/zinc/08/04/48/534080448.db2.gz IHNKKJBDTMTWHJ-SWLSCSKDSA-N 2 1 296.842 3.341 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424373411 534246326 /nfs/dbraw/zinc/24/63/26/534246326.db2.gz GTSBEVRMYPAFFM-IRXDYDNUSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449177438 534259747 /nfs/dbraw/zinc/25/97/47/534259747.db2.gz VOBZJMVNZOJAAE-WMLDXEAASA-N 2 1 276.424 3.065 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000449177438 534259750 /nfs/dbraw/zinc/25/97/50/534259750.db2.gz VOBZJMVNZOJAAE-WMLDXEAASA-N 2 1 276.424 3.065 20 0 CGADMP FC(F)(F)CC[N@@H+](CCC1CC[NH2+]CC1)CC1CC1 ZINC000359223812 534382787 /nfs/dbraw/zinc/38/27/87/534382787.db2.gz ZZGLGAQFULQKFM-UHFFFAOYSA-N 2 1 278.362 3.041 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2n1 ZINC000368736013 534469947 /nfs/dbraw/zinc/46/99/47/534469947.db2.gz LGHHFPCHTAHELR-MSOLQXFVSA-N 2 1 295.430 3.260 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643973 520414577 /nfs/dbraw/zinc/41/45/77/520414577.db2.gz WCBKFVHBUJBOFI-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccs1 ZINC000049540912 520771507 /nfs/dbraw/zinc/77/15/07/520771507.db2.gz MLCCDSWBNHKYHV-CYBMUJFWSA-N 2 1 252.427 3.273 20 0 CGADMP CCC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccnc1 ZINC000184899399 521157251 /nfs/dbraw/zinc/15/72/51/521157251.db2.gz QZFGHQIIOIRGEE-KRWDZBQOSA-N 2 1 275.440 3.388 20 0 CGADMP CCOc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157386967 521374590 /nfs/dbraw/zinc/37/45/90/521374590.db2.gz YWPYLSBIRARYGV-ZWKOTPCHSA-N 2 1 282.387 3.320 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414776273 534664260 /nfs/dbraw/zinc/66/42/60/534664260.db2.gz GWYABFDHTYGACH-DLBZAZTESA-N 2 1 272.436 3.125 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1CCCC1 ZINC000423509938 534677517 /nfs/dbraw/zinc/67/75/17/534677517.db2.gz RSDZJTWREPAEJS-DLBZAZTESA-N 2 1 276.399 3.310 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000423277212 534677588 /nfs/dbraw/zinc/67/75/88/534677588.db2.gz NXVMWGUPVDCHCC-CHWSQXEVSA-N 2 1 285.218 3.308 20 0 CGADMP Cc1cccc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000449319013 534690331 /nfs/dbraw/zinc/69/03/31/534690331.db2.gz FKJKXTURGZOHHM-JWTNVVGKSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1cccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000449319013 534690337 /nfs/dbraw/zinc/69/03/37/534690337.db2.gz FKJKXTURGZOHHM-JWTNVVGKSA-N 2 1 272.436 3.095 20 0 CGADMP Cc1cccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000449319013 534690346 /nfs/dbraw/zinc/69/03/46/534690346.db2.gz FKJKXTURGZOHHM-JWTNVVGKSA-N 2 1 272.436 3.095 20 0 CGADMP C[NH+](C)C1(CNc2cc[nH+]cc2Br)CCCC1 ZINC000163923431 524038142 /nfs/dbraw/zinc/03/81/42/524038142.db2.gz FBNAGQUZXZFDLT-UHFFFAOYSA-N 2 1 298.228 3.130 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157481504 524156694 /nfs/dbraw/zinc/15/66/94/524156694.db2.gz KDQFSFXPHAMLKE-JBBXEZCESA-N 2 1 282.387 3.491 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000163448348 524177264 /nfs/dbraw/zinc/17/72/64/524177264.db2.gz TYUNRBKWPGKCIE-INMHGKMJSA-N 2 1 260.425 3.097 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)cc1 ZINC000290337091 524562085 /nfs/dbraw/zinc/56/20/85/524562085.db2.gz FENYCGOTPVOWGC-PCLVQLBSSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(F)cc1 ZINC000290337091 524562099 /nfs/dbraw/zinc/56/20/99/524562099.db2.gz FENYCGOTPVOWGC-PCLVQLBSSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290337091 524562105 /nfs/dbraw/zinc/56/21/05/524562105.db2.gz FENYCGOTPVOWGC-PCLVQLBSSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000290337091 524562114 /nfs/dbraw/zinc/56/21/14/524562114.db2.gz FENYCGOTPVOWGC-PCLVQLBSSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000157696174 524920205 /nfs/dbraw/zinc/92/02/05/524920205.db2.gz MQISVUWMNVEFET-DUFSDNGMSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000157696174 524920214 /nfs/dbraw/zinc/92/02/14/524920214.db2.gz MQISVUWMNVEFET-DUFSDNGMSA-N 2 1 276.399 3.144 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000052206167 525461793 /nfs/dbraw/zinc/46/17/93/525461793.db2.gz OOBNSMVONBGRDL-HIFRSBDPSA-N 2 1 264.413 3.421 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)c(C)o1 ZINC000052206167 525461798 /nfs/dbraw/zinc/46/17/98/525461798.db2.gz OOBNSMVONBGRDL-HIFRSBDPSA-N 2 1 264.413 3.421 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261918473 525483113 /nfs/dbraw/zinc/48/31/13/525483113.db2.gz KDWVHLLJLKLIAS-VNQPRFMTSA-N 2 1 290.476 3.348 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)c(C)s1 ZINC000049506796 525518224 /nfs/dbraw/zinc/51/82/24/525518224.db2.gz GOTYKZJBIRCEJX-NSHDSACASA-N 2 1 263.410 3.221 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000155871758 525945774 /nfs/dbraw/zinc/94/57/74/525945774.db2.gz VXDVRDQVVSTMGD-WXHSDQCUSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000155871758 525945785 /nfs/dbraw/zinc/94/57/85/525945785.db2.gz VXDVRDQVVSTMGD-WXHSDQCUSA-N 2 1 252.427 3.190 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000513094172 534910806 /nfs/dbraw/zinc/91/08/06/534910806.db2.gz GZZMSWJMSIGWTL-MSOLQXFVSA-N 2 1 272.436 3.008 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000513094172 534910812 /nfs/dbraw/zinc/91/08/12/534910812.db2.gz GZZMSWJMSIGWTL-MSOLQXFVSA-N 2 1 272.436 3.008 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000184396699 526210088 /nfs/dbraw/zinc/21/00/88/526210088.db2.gz MSQVBQNWNNOISH-CQSZACIVSA-N 2 1 275.440 3.304 20 0 CGADMP c1csc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)c1 ZINC000157554890 526588646 /nfs/dbraw/zinc/58/86/46/526588646.db2.gz TVPOKNXNMYLOGZ-SQWLQELKSA-N 2 1 276.449 3.416 20 0 CGADMP CC(C)(C)C1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000436469008 527629282 /nfs/dbraw/zinc/62/92/82/527629282.db2.gz OZDZHLOJZUYRCW-UHFFFAOYSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423365556 527782371 /nfs/dbraw/zinc/78/23/71/527782371.db2.gz KJWRKYVVVCIJBU-KBPBESRZSA-N 2 1 264.413 3.109 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414235060 527805366 /nfs/dbraw/zinc/80/53/66/527805366.db2.gz TXKYQBGHBPQWBY-WMLDXEAASA-N 2 1 289.467 3.199 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414235060 527805373 /nfs/dbraw/zinc/80/53/73/527805373.db2.gz TXKYQBGHBPQWBY-WMLDXEAASA-N 2 1 289.467 3.199 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3cc2OC)C1 ZINC000449092535 527814121 /nfs/dbraw/zinc/81/41/21/527814121.db2.gz UHKCWKOEBBRAHC-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3cc2OC)C1 ZINC000449092535 527814122 /nfs/dbraw/zinc/81/41/22/527814122.db2.gz UHKCWKOEBBRAHC-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(C)c2)C1 ZINC000174962749 527837795 /nfs/dbraw/zinc/83/77/95/527837795.db2.gz IHMITFCDMVZJST-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(C)c2)C1 ZINC000174962749 527837796 /nfs/dbraw/zinc/83/77/96/527837796.db2.gz IHMITFCDMVZJST-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(C)c2)C1 ZINC000174962749 527837797 /nfs/dbraw/zinc/83/77/97/527837797.db2.gz IHMITFCDMVZJST-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000174962749 527837798 /nfs/dbraw/zinc/83/77/98/527837798.db2.gz IHMITFCDMVZJST-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CC(C)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376146498 528064395 /nfs/dbraw/zinc/06/43/95/528064395.db2.gz DYLOSPAGZJWNCN-QGZVFWFLSA-N 2 1 260.425 3.144 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000365189546 528105507 /nfs/dbraw/zinc/10/55/07/528105507.db2.gz CUIHEPPWDXYLPA-KRWDZBQOSA-N 2 1 276.424 3.261 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000365189546 528105516 /nfs/dbraw/zinc/10/55/16/528105516.db2.gz CUIHEPPWDXYLPA-KRWDZBQOSA-N 2 1 276.424 3.261 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423265350 528164655 /nfs/dbraw/zinc/16/46/55/528164655.db2.gz CVOZRFUJOCJDBE-YOEHRIQHSA-N 2 1 278.440 3.355 20 0 CGADMP CC(C)SCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367275164 528314290 /nfs/dbraw/zinc/31/42/90/528314290.db2.gz RZBGOTAHYPRPAU-ZBFHGGJFSA-N 2 1 282.497 3.077 20 0 CGADMP CC(C)SCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367275164 528314292 /nfs/dbraw/zinc/31/42/92/528314292.db2.gz RZBGOTAHYPRPAU-ZBFHGGJFSA-N 2 1 282.497 3.077 20 0 CGADMP CC(C)SCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367275164 528314295 /nfs/dbraw/zinc/31/42/95/528314295.db2.gz RZBGOTAHYPRPAU-ZBFHGGJFSA-N 2 1 282.497 3.077 20 0 CGADMP CC(C)C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(Br)c1 ZINC000423390669 528361984 /nfs/dbraw/zinc/36/19/84/528361984.db2.gz KBYNEWPFOLGKNJ-SMDDNHRTSA-N 2 1 299.256 3.473 20 0 CGADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000359874840 528373307 /nfs/dbraw/zinc/37/33/07/528373307.db2.gz MXULGIJTBSFQKM-CYBMUJFWSA-N 2 1 290.436 3.128 20 0 CGADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000359874840 528373312 /nfs/dbraw/zinc/37/33/12/528373312.db2.gz MXULGIJTBSFQKM-CYBMUJFWSA-N 2 1 290.436 3.128 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423261519 528533823 /nfs/dbraw/zinc/53/38/23/528533823.db2.gz JZMLHQCKRFSASI-GWCFXTLKSA-N 2 1 274.330 3.339 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423259687 528534704 /nfs/dbraw/zinc/53/47/04/528534704.db2.gz FNTXMTVTFPIGTQ-MFKMUULPSA-N 2 1 285.229 3.083 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414181737 528594142 /nfs/dbraw/zinc/59/41/42/528594142.db2.gz MTCZNYCDZONHQU-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427101765 528673253 /nfs/dbraw/zinc/67/32/53/528673253.db2.gz QDHYVSSKPAZQHU-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427101765 528673255 /nfs/dbraw/zinc/67/32/55/528673255.db2.gz QDHYVSSKPAZQHU-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000423433325 528690599 /nfs/dbraw/zinc/69/05/99/528690599.db2.gz CCGWWVURXZYHTL-IHRRRGAJSA-N 2 1 294.439 3.260 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423463173 528691475 /nfs/dbraw/zinc/69/14/75/528691475.db2.gz LFMJNALBLHKJCL-MJBXVCDLSA-N 2 1 264.413 3.252 20 0 CGADMP CC(F)(F)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000357710405 528730687 /nfs/dbraw/zinc/73/06/87/528730687.db2.gz OUVMZYIIJLSUFB-UHFFFAOYSA-N 2 1 282.378 3.286 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000359646058 528818397 /nfs/dbraw/zinc/81/83/97/528818397.db2.gz TXLTUFATTNRLCA-PBHICJAKSA-N 2 1 260.425 3.240 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000423298247 528823793 /nfs/dbraw/zinc/82/37/93/528823793.db2.gz NUECEJSEHXYYAC-ZWKOTPCHSA-N 2 1 274.452 3.423 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000449100780 528835550 /nfs/dbraw/zinc/83/55/50/528835550.db2.gz SLUPPJMVTVEUTB-RKVPGOIHSA-N 2 1 290.451 3.182 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000423298245 528957642 /nfs/dbraw/zinc/95/76/42/528957642.db2.gz NUECEJSEHXYYAC-QZTJIDSGSA-N 2 1 274.452 3.423 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423293590 528958104 /nfs/dbraw/zinc/95/81/04/528958104.db2.gz AFYLVBYKJUXKRO-SGIREYDYSA-N 2 1 264.388 3.166 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000414292181 528988784 /nfs/dbraw/zinc/98/87/84/528988784.db2.gz BSNDMSPWKULMPK-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H](C)C3)sc2C1 ZINC000436404330 529084134 /nfs/dbraw/zinc/08/41/34/529084134.db2.gz LOZBMHISCHJHKE-QWHCGFSZSA-N 2 1 293.480 3.188 20 0 CGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H](C)C3)sc2C1 ZINC000436404330 529084141 /nfs/dbraw/zinc/08/41/41/529084141.db2.gz LOZBMHISCHJHKE-QWHCGFSZSA-N 2 1 293.480 3.188 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359219749 529203040 /nfs/dbraw/zinc/20/30/40/529203040.db2.gz VSMOPDDXIHOCIM-UONOGXRCSA-N 2 1 252.446 3.275 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423330653 529257690 /nfs/dbraw/zinc/25/76/90/529257690.db2.gz PNEAWBYVSLRKSZ-LBPRGKRZSA-N 2 1 264.438 3.331 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000093693050 535596785 /nfs/dbraw/zinc/59/67/85/535596785.db2.gz LEXBXJHWGUNQMY-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000093693050 535596789 /nfs/dbraw/zinc/59/67/89/535596789.db2.gz LEXBXJHWGUNQMY-CQSZACIVSA-N 2 1 266.454 3.220 20 0 CGADMP CC[C@@H](C[N@H+]1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470020528 535745300 /nfs/dbraw/zinc/74/53/00/535745300.db2.gz JDTNUZQAVKUYPG-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2[nH+]1 ZINC000450828635 536089461 /nfs/dbraw/zinc/08/94/61/536089461.db2.gz NMFJFUXLRADMNB-MQVJKMGUSA-N 2 1 295.430 3.256 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCCC(=O)c2ccccc2)CC1 ZINC000450859315 536138718 /nfs/dbraw/zinc/13/87/18/536138718.db2.gz UUAOXWBBYNLBRP-KRWDZBQOSA-N 2 1 288.435 3.066 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCC(=O)c2ccccc2)CC1 ZINC000450859315 536138723 /nfs/dbraw/zinc/13/87/23/536138723.db2.gz UUAOXWBBYNLBRP-KRWDZBQOSA-N 2 1 288.435 3.066 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459741228 536981006 /nfs/dbraw/zinc/98/10/06/536981006.db2.gz VFCCKMALFUCMIH-RDTXFTJFSA-N 2 1 288.435 3.030 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000226013510 572343998 /nfs/dbraw/zinc/34/39/98/572343998.db2.gz FKYGUGAMZSXCKS-DOTOQJQBSA-N 2 1 276.424 3.035 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)[C@H](C)C1 ZINC000186682098 572352171 /nfs/dbraw/zinc/35/21/71/572352171.db2.gz HXGNYKYYZYAVNT-GCSSGZNBSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000189601826 572353415 /nfs/dbraw/zinc/35/34/15/572353415.db2.gz SDDREWHXLUFASJ-DZGCQCFKSA-N 2 1 288.439 3.158 20 0 CGADMP Cc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000189601826 572353422 /nfs/dbraw/zinc/35/34/22/572353422.db2.gz SDDREWHXLUFASJ-DZGCQCFKSA-N 2 1 288.439 3.158 20 0 CGADMP Cc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000189601826 572353426 /nfs/dbraw/zinc/35/34/26/572353426.db2.gz SDDREWHXLUFASJ-DZGCQCFKSA-N 2 1 288.439 3.158 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715049 618145920 /nfs/dbraw/zinc/14/59/20/618145920.db2.gz ABTWUGGVMTVVPG-BACDZXNISA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715049 618145923 /nfs/dbraw/zinc/14/59/23/618145923.db2.gz ABTWUGGVMTVVPG-BACDZXNISA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(O)c(F)c2)CC1 ZINC000891746598 618273715 /nfs/dbraw/zinc/27/37/15/618273715.db2.gz WUIRCAKKVSMQHR-UHFFFAOYSA-N 2 1 294.414 3.084 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000062014471 618298732 /nfs/dbraw/zinc/29/87/32/618298732.db2.gz YLKCDXYSGNYUGO-QWHCGFSZSA-N 2 1 266.816 3.332 20 0 CGADMP CCCC1CCC([N@@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262134566 618645065 /nfs/dbraw/zinc/64/50/65/618645065.db2.gz YNAMTXODGQTJAB-UYSNPLJNSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000235189772 618662412 /nfs/dbraw/zinc/66/24/12/618662412.db2.gz ZROJDDPJVSFWPG-HIFRSBDPSA-N 2 1 254.377 3.242 20 0 CGADMP COCCCC1(C[NH2+]CC2([NH+](C)C)CCCC2)CCC1 ZINC000892458188 618790813 /nfs/dbraw/zinc/79/08/13/618790813.db2.gz VPHALINJMMQPSZ-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP Fc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C(F)F ZINC000892606471 618872569 /nfs/dbraw/zinc/87/25/69/618872569.db2.gz AVBKHGMENUWTGM-QWHCGFSZSA-N 2 1 298.352 3.480 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C(F)F ZINC000892606471 618872571 /nfs/dbraw/zinc/87/25/71/618872571.db2.gz AVBKHGMENUWTGM-QWHCGFSZSA-N 2 1 298.352 3.480 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C(F)F ZINC000892606471 618872574 /nfs/dbraw/zinc/87/25/74/618872574.db2.gz AVBKHGMENUWTGM-QWHCGFSZSA-N 2 1 298.352 3.480 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](CNCc2cc(O)cc(Cl)c2)C1 ZINC000892944773 618959788 /nfs/dbraw/zinc/95/97/88/618959788.db2.gz VUQGEBPNPWADEP-CYBMUJFWSA-N 2 1 296.842 3.256 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892944773 618959789 /nfs/dbraw/zinc/95/97/89/618959789.db2.gz VUQGEBPNPWADEP-CYBMUJFWSA-N 2 1 296.842 3.256 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892944773 618959791 /nfs/dbraw/zinc/95/97/91/618959791.db2.gz VUQGEBPNPWADEP-CYBMUJFWSA-N 2 1 296.842 3.256 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccccc1 ZINC000925624592 619095320 /nfs/dbraw/zinc/09/53/20/619095320.db2.gz ZZICHRLVOVBTDG-CZUORRHYSA-N 2 1 258.409 3.245 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CCC(C)(C)C3CC3)C[C@@]2(C)C1 ZINC000931318440 619144049 /nfs/dbraw/zinc/14/40/49/619144049.db2.gz TXAQNKJNSNPAHX-IAGOWNOFSA-N 2 1 264.457 3.086 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000931472528 619177282 /nfs/dbraw/zinc/17/72/82/619177282.db2.gz UBHMUMUSZIMCDS-MRXNPFEDSA-N 2 1 294.483 3.284 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@@H](CF)c2ccc(F)cc2)C[C@@H]([NH3+])C1 ZINC000925729433 619196626 /nfs/dbraw/zinc/19/66/26/619196626.db2.gz QCHVOFDPSNSYOI-ILXRZTDVSA-N 2 1 282.378 3.332 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)s1 ZINC000314078685 619213100 /nfs/dbraw/zinc/21/31/00/619213100.db2.gz DAPGPAXNMAZODL-LBPRGKRZSA-N 2 1 263.410 3.073 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000925780065 619242795 /nfs/dbraw/zinc/24/27/95/619242795.db2.gz RKKOYYSWAPFAGP-OCCSQVGLSA-N 2 1 286.341 3.111 20 0 CGADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094370516 619249677 /nfs/dbraw/zinc/24/96/77/619249677.db2.gz WXMQSEGDJCAYGJ-IXDOHACOSA-N 2 1 292.467 3.085 20 0 CGADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094370516 619249681 /nfs/dbraw/zinc/24/96/81/619249681.db2.gz WXMQSEGDJCAYGJ-IXDOHACOSA-N 2 1 292.467 3.085 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2cccnc21 ZINC000925872674 619302100 /nfs/dbraw/zinc/30/21/00/619302100.db2.gz WZABUQMEEBXHJH-UAGQMJEPSA-N 2 1 287.451 3.359 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@H]2CCc3ccccc32)CC1 ZINC000893860280 619323681 /nfs/dbraw/zinc/32/36/81/619323681.db2.gz ZKNUDSVJQDQVIZ-QGZVFWFLSA-N 2 1 284.447 3.277 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC[NH2+]C1 ZINC000261703615 619375290 /nfs/dbraw/zinc/37/52/90/619375290.db2.gz CSVZDTIHNGHORM-QZTJIDSGSA-N 2 1 272.436 3.256 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)C(C)C ZINC000924907004 619433094 /nfs/dbraw/zinc/43/30/94/619433094.db2.gz AKRNEXYQHYYXJR-AEFFLSMTSA-N 2 1 289.467 3.113 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)C(C)C ZINC000924907004 619433099 /nfs/dbraw/zinc/43/30/99/619433099.db2.gz AKRNEXYQHYYXJR-AEFFLSMTSA-N 2 1 289.467 3.113 20 0 CGADMP c1ncc(CNCc2ccccc2C[NH+]2CCCCCC2)[nH]1 ZINC000894258918 619447546 /nfs/dbraw/zinc/44/75/46/619447546.db2.gz KZMGFJSZIAPRKE-UHFFFAOYSA-N 2 1 298.434 3.076 20 0 CGADMP C[C@@H](CC[NH2+]Cc1cc2cc(F)ccc2o1)[NH+](C)C ZINC000895298440 619798844 /nfs/dbraw/zinc/79/88/44/619798844.db2.gz VZMQIGUQDSTJEA-NSHDSACASA-N 2 1 264.344 3.002 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC(F)CC1 ZINC000895438320 619829415 /nfs/dbraw/zinc/82/94/15/619829415.db2.gz OCPQNWATGYZUJG-WSFUHELOSA-N 2 1 268.420 3.118 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895670183 619869174 /nfs/dbraw/zinc/86/91/74/619869174.db2.gz BKRKLSBZHGGKFQ-ABCZVMIZSA-N 2 1 250.430 3.006 20 0 CGADMP CC1=CC[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000896724214 620050107 /nfs/dbraw/zinc/05/01/07/620050107.db2.gz VVDZYNQDGMKQHC-IRXDYDNUSA-N 2 1 273.424 3.163 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000163259057 620205220 /nfs/dbraw/zinc/20/52/20/620205220.db2.gz VLWRLWBPMQTPDB-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000925223507 620241680 /nfs/dbraw/zinc/24/16/80/620241680.db2.gz WCBPFLGDARLDPH-LZLYRXPVSA-N 2 1 287.451 3.385 20 0 CGADMP c1ccc2c(C[NH+]3CCC([NH2+]C4CCC4)CC3)ccnc2c1 ZINC000897981164 620461656 /nfs/dbraw/zinc/46/16/56/620461656.db2.gz IUQALPJPTHZNHK-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP Cl/C=C/C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000898429689 620586583 /nfs/dbraw/zinc/58/65/83/620586583.db2.gz XGHGEFFYAOAAPA-KQZVVDFMSA-N 2 1 290.838 3.382 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2COc3c2cccc3Cl)C1 ZINC000902352317 621284924 /nfs/dbraw/zinc/28/49/24/621284924.db2.gz KNTWWQOKKYXKGX-SMDDNHRTSA-N 2 1 294.826 3.141 20 0 CGADMP Cc1cc(OCCC[C@@H](C)[NH2+]CC2([NH3+])CC2)ccc1Cl ZINC000902407090 621292862 /nfs/dbraw/zinc/29/28/62/621292862.db2.gz PGEGEKPSDKNGDH-CYBMUJFWSA-N 2 1 296.842 3.277 20 0 CGADMP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415568 621308888 /nfs/dbraw/zinc/30/88/88/621308888.db2.gz ISUSXOUDTAUYLT-ABCZVMIZSA-N 2 1 288.435 3.044 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902475307 621325835 /nfs/dbraw/zinc/32/58/35/621325835.db2.gz HWJUYVRAHPJMQQ-QPKOPYBWSA-N 2 1 298.352 3.119 20 0 CGADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902471791 621342108 /nfs/dbraw/zinc/34/21/08/621342108.db2.gz SOAJTFSLHTWSNZ-YYWYGQEZSA-N 2 1 270.420 3.114 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]CCn1cc[nH+]c1C ZINC000902783123 621439400 /nfs/dbraw/zinc/43/94/00/621439400.db2.gz YASZJDRFFBVWJZ-ACJLOTCBSA-N 2 1 299.418 3.113 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902895821 621489146 /nfs/dbraw/zinc/48/91/46/621489146.db2.gz CVGKRUOGQDSBHR-NSHDSACASA-N 2 1 299.340 3.013 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1C[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000903017259 621519593 /nfs/dbraw/zinc/51/95/93/621519593.db2.gz RAJRHRVUTVLARX-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCOCC1 ZINC000903069817 621568252 /nfs/dbraw/zinc/56/82/52/621568252.db2.gz JWSUFIYQVDIABX-FUHWJXTLSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C ZINC000903099323 621571774 /nfs/dbraw/zinc/57/17/74/621571774.db2.gz DXWZPAQRXRMEJL-GEONZQJFSA-N 2 1 252.446 3.129 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C ZINC000903099323 621571775 /nfs/dbraw/zinc/57/17/75/621571775.db2.gz DXWZPAQRXRMEJL-GEONZQJFSA-N 2 1 252.446 3.129 20 0 CGADMP CCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903099744 621573448 /nfs/dbraw/zinc/57/34/48/621573448.db2.gz MFYIMDFYEGDADM-JLYLLQBASA-N 2 1 284.447 3.496 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903097406 621585764 /nfs/dbraw/zinc/58/57/64/621585764.db2.gz FPMXVEQIESWXLU-SMMMKCNCSA-N 2 1 294.508 3.408 20 0 CGADMP c1ccc(C[C@H]2C[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903122373 621589584 /nfs/dbraw/zinc/58/95/84/621589584.db2.gz YSJDGDMKPFJCKO-MWDBYQCVSA-N 2 1 296.458 3.365 20 0 CGADMP CCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903158567 621603741 /nfs/dbraw/zinc/60/37/41/621603741.db2.gz BPAIBMNRYZKCBP-LQDVMPOASA-N 2 1 250.430 3.170 20 0 CGADMP FC1(F)CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178920 621614590 /nfs/dbraw/zinc/61/45/90/621614590.db2.gz JZWZIEQBRXGACU-IKKMQULASA-N 2 1 284.394 3.169 20 0 CGADMP C[C@@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1(F)F ZINC000903201121 621624507 /nfs/dbraw/zinc/62/45/07/621624507.db2.gz VPUPOZDVKRSZKX-CHEQUFIKSA-N 2 1 284.394 3.169 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@]12C[C@@H]1CCCC2 ZINC000903220289 621633767 /nfs/dbraw/zinc/63/37/67/621633767.db2.gz KVBKHNLNPHXWBO-HJYMDDGLSA-N 2 1 274.452 3.314 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000903431660 621743698 /nfs/dbraw/zinc/74/36/98/621743698.db2.gz UOVCDJGUMLLSOZ-DZGCQCFKSA-N 2 1 278.827 3.432 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439720 621748867 /nfs/dbraw/zinc/74/88/67/621748867.db2.gz MZQOLJSAFMNIIX-OMNBBPDLSA-N 2 1 276.399 3.336 20 0 CGADMP CCSc1ccccc1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000903421412 621750443 /nfs/dbraw/zinc/75/04/43/621750443.db2.gz OJCNYFSMYXHITF-AWEZNQCLSA-N 2 1 278.465 3.230 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000903421412 621750446 /nfs/dbraw/zinc/75/04/46/621750446.db2.gz OJCNYFSMYXHITF-AWEZNQCLSA-N 2 1 278.465 3.230 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1F ZINC000903459390 621752669 /nfs/dbraw/zinc/75/26/69/621752669.db2.gz IEXCJJCELINCJK-CYBMUJFWSA-N 2 1 294.389 3.237 20 0 CGADMP c1csc([C@@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]C2)c1 ZINC000903718659 621796411 /nfs/dbraw/zinc/79/64/11/621796411.db2.gz QLNYECWKWLXNLF-KBPBESRZSA-N 2 1 264.438 3.275 20 0 CGADMP FCc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903752010 621800381 /nfs/dbraw/zinc/80/03/81/621800381.db2.gz OEOYUPIXLBHSGV-WBVHZDCISA-N 2 1 276.399 3.120 20 0 CGADMP Clc1cccc2c1C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000903829878 621818264 /nfs/dbraw/zinc/81/82/64/621818264.db2.gz NICVHGJFJJFQTR-UHFFFAOYSA-N 2 1 278.827 3.435 20 0 CGADMP Clc1cccc2c1C[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000903829878 621818267 /nfs/dbraw/zinc/81/82/67/621818267.db2.gz NICVHGJFJJFQTR-UHFFFAOYSA-N 2 1 278.827 3.435 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]CCC[NH2+]C1CC1)C(C)(C)C ZINC000903829815 621818367 /nfs/dbraw/zinc/81/83/67/621818367.db2.gz LNAXVNUTGFFHOU-INIZCTEOSA-N 2 1 275.440 3.209 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000903938739 621836361 /nfs/dbraw/zinc/83/63/61/621836361.db2.gz IURILLVLIAPZKD-UHFFFAOYSA-N 2 1 266.772 3.303 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000903959602 621836979 /nfs/dbraw/zinc/83/69/79/621836979.db2.gz KPQRDYKFWATCHN-MRXNPFEDSA-N 2 1 293.480 3.232 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000903959602 621836980 /nfs/dbraw/zinc/83/69/80/621836980.db2.gz KPQRDYKFWATCHN-MRXNPFEDSA-N 2 1 293.480 3.232 20 0 CGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312085 621903409 /nfs/dbraw/zinc/90/34/09/621903409.db2.gz LEUXSGPEKMGRHG-GSJFWJNXSA-N 2 1 273.207 3.163 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)ccc2c1 ZINC000904411824 621919038 /nfs/dbraw/zinc/91/90/38/621919038.db2.gz NQZCQZYIMBTQBZ-RDTXWAMCSA-N 2 1 298.430 3.265 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904411718 621919568 /nfs/dbraw/zinc/91/95/68/621919568.db2.gz WYHHJQWSIJPTJC-HIFRSBDPSA-N 2 1 278.465 3.215 20 0 CGADMP CCCC[NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000906530040 622243301 /nfs/dbraw/zinc/24/33/01/622243301.db2.gz WGTVBUHJJXFQEH-UHFFFAOYSA-N 2 1 295.496 3.307 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC)c2)C1 ZINC000151115790 622731712 /nfs/dbraw/zinc/73/17/12/622731712.db2.gz GGNFPHJGMZXVKI-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC000229060720 623095993 /nfs/dbraw/zinc/09/59/93/623095993.db2.gz VOCJGBUMLBHPIP-ZKYQVNSYSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]21 ZINC000229060720 623096005 /nfs/dbraw/zinc/09/60/05/623096005.db2.gz VOCJGBUMLBHPIP-ZKYQVNSYSA-N 2 1 282.790 3.038 20 0 CGADMP CCc1nc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925474907 624435910 /nfs/dbraw/zinc/43/59/10/624435910.db2.gz AMQXNSKPOCLANQ-SRVKXCTJSA-N 2 1 281.469 3.262 20 0 CGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3CCCC3)C2)c1 ZINC000064616111 624636607 /nfs/dbraw/zinc/63/66/07/624636607.db2.gz KNLUZFKZRPGDOW-CQSZACIVSA-N 2 1 278.465 3.492 20 0 CGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCCC3)C2)c1 ZINC000064616111 624636610 /nfs/dbraw/zinc/63/66/10/624636610.db2.gz KNLUZFKZRPGDOW-CQSZACIVSA-N 2 1 278.465 3.492 20 0 CGADMP CCC[C@H](C)C[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000922627281 626022180 /nfs/dbraw/zinc/02/21/80/626022180.db2.gz HAFYCQWMFBTYOX-GOEBONIOSA-N 2 1 263.429 3.100 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSC3(CCC3)C2)CC1(C)C ZINC000922843230 626056271 /nfs/dbraw/zinc/05/62/71/626056271.db2.gz QRKYRUJTQJZSQM-ZIAGYGMSSA-N 2 1 282.497 3.267 20 0 CGADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000020088819 634481362 /nfs/dbraw/zinc/48/13/62/634481362.db2.gz FPUGQZCQJBGNJJ-ZDUSSCGKSA-N 2 1 266.454 3.411 20 0 CGADMP Fc1cccc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923303368 626143966 /nfs/dbraw/zinc/14/39/66/626143966.db2.gz CVIKNEOQGWYGED-INIZCTEOSA-N 2 1 262.372 3.105 20 0 CGADMP Fc1cccc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)c1 ZINC000923303368 626143968 /nfs/dbraw/zinc/14/39/68/626143968.db2.gz CVIKNEOQGWYGED-INIZCTEOSA-N 2 1 262.372 3.105 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC[NH2+]C1CC1 ZINC000923317771 626145087 /nfs/dbraw/zinc/14/50/87/626145087.db2.gz WDMAYPAJDQINQY-HIFRSBDPSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495383 626157461 /nfs/dbraw/zinc/15/74/61/626157461.db2.gz BNRBTSWKRYXKNG-MDZLAQPJSA-N 2 1 284.806 3.457 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC[C@@H]1C[NH3+] ZINC000923492240 626158026 /nfs/dbraw/zinc/15/80/26/626158026.db2.gz APZXREZXOPVYIA-HSMVNMDESA-N 2 1 278.827 3.244 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493279 626158469 /nfs/dbraw/zinc/15/84/69/626158469.db2.gz RDXFFTXQKMETAH-ZIAGYGMSSA-N 2 1 278.465 3.215 20 0 CGADMP COc1c(C)cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000839179956 626326369 /nfs/dbraw/zinc/32/63/69/626326369.db2.gz BDTYDKPOBKWQEB-MRXNPFEDSA-N 2 1 290.451 3.134 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCCCCCC2)C1 ZINC000839183493 626327192 /nfs/dbraw/zinc/32/71/92/626327192.db2.gz XIFYJMBURFGKGK-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000765036558 627237947 /nfs/dbraw/zinc/23/79/47/627237947.db2.gz HTSGBXUHQQYGCJ-UMVBOHGHSA-N 2 1 291.464 3.045 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000765036558 627237949 /nfs/dbraw/zinc/23/79/49/627237949.db2.gz HTSGBXUHQQYGCJ-UMVBOHGHSA-N 2 1 291.464 3.045 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(F)c2)[C@@H](C)C1 ZINC000765358498 627246545 /nfs/dbraw/zinc/24/65/45/627246545.db2.gz GSAGPFUBFBASIM-KEYYUXOJSA-N 2 1 278.415 3.249 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000768666190 627492078 /nfs/dbraw/zinc/49/20/78/627492078.db2.gz BFLDQOJGRASWHH-UHFFFAOYSA-N 2 1 274.399 3.274 20 0 CGADMP CC[N@@H+](Cc1ccoc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000769298985 627537703 /nfs/dbraw/zinc/53/77/03/627537703.db2.gz NJLODCFTXLBSRJ-UHFFFAOYSA-N 2 1 272.392 3.363 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292935 628479410 /nfs/dbraw/zinc/47/94/10/628479410.db2.gz OJFWNXMSOVUHGD-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292935 628479414 /nfs/dbraw/zinc/47/94/14/628479414.db2.gz OJFWNXMSOVUHGD-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292935 628479416 /nfs/dbraw/zinc/47/94/16/628479416.db2.gz OJFWNXMSOVUHGD-WMZOPIPTSA-N 2 1 286.463 3.380 20 0 CGADMP C[C@@H](C1CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000782185493 628622144 /nfs/dbraw/zinc/62/21/44/628622144.db2.gz XRMHFHSUZQVTCF-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1F ZINC000783224423 628690380 /nfs/dbraw/zinc/69/03/80/628690380.db2.gz NVFDEIQVKOCVDB-ABAIWWIYSA-N 2 1 273.355 3.208 20 0 CGADMP C[N@@H+](C[C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796460702 629784077 /nfs/dbraw/zinc/78/40/77/629784077.db2.gz ATMPUKUSUOTKLJ-XNHLSEOASA-N 2 1 284.447 3.273 20 0 CGADMP C[NH+](C[C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796460702 629784079 /nfs/dbraw/zinc/78/40/79/629784079.db2.gz ATMPUKUSUOTKLJ-XNHLSEOASA-N 2 1 284.447 3.273 20 0 CGADMP C[NH+](C[C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796460702 629784080 /nfs/dbraw/zinc/78/40/80/629784080.db2.gz ATMPUKUSUOTKLJ-XNHLSEOASA-N 2 1 284.447 3.273 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000797116757 629891076 /nfs/dbraw/zinc/89/10/76/629891076.db2.gz YQJVBAATYGLKIZ-YOEHRIQHSA-N 2 1 278.415 3.221 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000797116757 629891080 /nfs/dbraw/zinc/89/10/80/629891080.db2.gz YQJVBAATYGLKIZ-YOEHRIQHSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000865418592 630112584 /nfs/dbraw/zinc/11/25/84/630112584.db2.gz IPIZSGBAWCPBBD-UHFFFAOYSA-N 2 1 292.452 3.125 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC(C)(C)C)c2)CC[N@H+]1C ZINC000865475335 630140318 /nfs/dbraw/zinc/14/03/18/630140318.db2.gz LBAHPLQVMCCNBK-GOEBONIOSA-N 2 1 290.451 3.436 20 0 CGADMP Cc1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)o1 ZINC000120717992 630454580 /nfs/dbraw/zinc/45/45/80/630454580.db2.gz RQFVFRZOHILSQD-OAHLLOKOSA-N 2 1 266.429 3.352 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2(C)CCC2)cc1 ZINC000809738508 630795267 /nfs/dbraw/zinc/79/52/67/630795267.db2.gz XWMWOGKBMDZDSJ-UHFFFAOYSA-N 2 1 260.425 3.370 20 0 CGADMP [NH3+]CCC[N@@H+](CC[C@H]1CC1(Cl)Cl)CC1CCCC1 ZINC000843384969 635656807 /nfs/dbraw/zinc/65/68/07/635656807.db2.gz MJPHTZOPILQSLH-ZDUSSCGKSA-N 2 1 293.282 3.411 20 0 CGADMP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)[C@@H]1CCCCN1 ZINC000817914123 632235056 /nfs/dbraw/zinc/23/50/56/632235056.db2.gz QYNJCMFNWIEVIZ-ROUUACIJSA-N 2 1 295.515 3.153 20 0 CGADMP C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1c[nH+]ccc1N ZINC000817936740 632237584 /nfs/dbraw/zinc/23/75/84/632237584.db2.gz MHRDCTVTXFHCSB-SKDRFNHKSA-N 2 1 288.222 3.119 20 0 CGADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1SC(C)(C)C ZINC000817965801 632260330 /nfs/dbraw/zinc/26/03/30/632260330.db2.gz VRFZBVYBHWLXMJ-LBPRGKRZSA-N 2 1 278.465 3.447 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000817981243 632272052 /nfs/dbraw/zinc/27/20/52/632272052.db2.gz HVXNFIAJHROGMO-WBMJQRKESA-N 2 1 264.388 3.302 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CC[C@H]1CC1(Cl)Cl)CC[NH2+]CC2 ZINC000818339511 632309775 /nfs/dbraw/zinc/30/97/75/632309775.db2.gz ARQCBTGSMZHUCW-RYUDHWBXSA-N 2 1 291.266 3.034 20 0 CGADMP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000866217874 633033291 /nfs/dbraw/zinc/03/32/91/633033291.db2.gz ITEYRSYFPSYRNT-PXAZEXFGSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000866233658 633038283 /nfs/dbraw/zinc/03/82/83/633038283.db2.gz XVNGFVIZOHERJR-IXDOHACOSA-N 2 1 289.467 3.255 20 0 CGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000866233658 633038291 /nfs/dbraw/zinc/03/82/91/633038291.db2.gz XVNGFVIZOHERJR-IXDOHACOSA-N 2 1 289.467 3.255 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866259352 633047947 /nfs/dbraw/zinc/04/79/47/633047947.db2.gz APESSIQYLJRXQD-SJLPKXTDSA-N 2 1 289.467 3.113 20 0 CGADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000823121107 633063527 /nfs/dbraw/zinc/06/35/27/633063527.db2.gz FNNUADBLROZFIN-ACJTYDJDSA-N 2 1 291.266 3.127 20 0 CGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000823121107 633063534 /nfs/dbraw/zinc/06/35/34/633063534.db2.gz FNNUADBLROZFIN-ACJTYDJDSA-N 2 1 291.266 3.127 20 0 CGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000823121107 633063540 /nfs/dbraw/zinc/06/35/40/633063540.db2.gz FNNUADBLROZFIN-ACJTYDJDSA-N 2 1 291.266 3.127 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC23CCC3)cn1 ZINC000823677557 633135809 /nfs/dbraw/zinc/13/58/09/633135809.db2.gz XIEJLWBXZZTBDT-INIZCTEOSA-N 2 1 296.418 3.388 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827641271 633506179 /nfs/dbraw/zinc/50/61/79/633506179.db2.gz LUFIDGKXECHERC-ZDUSSCGKSA-N 2 1 293.282 3.375 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827641271 633506182 /nfs/dbraw/zinc/50/61/82/633506182.db2.gz LUFIDGKXECHERC-ZDUSSCGKSA-N 2 1 293.282 3.375 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CCCCC1 ZINC000872017979 633937800 /nfs/dbraw/zinc/93/78/00/633937800.db2.gz GKLNYSUQIDTJQT-CVEARBPZSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000872020724 633940683 /nfs/dbraw/zinc/94/06/83/633940683.db2.gz JRYMDBGVJYSSCU-IXDOHACOSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000872025748 633945774 /nfs/dbraw/zinc/94/57/74/633945774.db2.gz SMSNTJMMTFCJLR-SQNIBIBYSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCOC1 ZINC000872025745 633945793 /nfs/dbraw/zinc/94/57/93/633945793.db2.gz SMSNTJMMTFCJLR-BZSNNMDCSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCOC2(CCCC2)C1)C1CCCCC1 ZINC000872026725 633946092 /nfs/dbraw/zinc/94/60/92/633946092.db2.gz FGQKJRHSDPYTAC-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCOC2(CCCC2)C1)C1CCCCC1 ZINC000872026725 633946096 /nfs/dbraw/zinc/94/60/96/633946096.db2.gz FGQKJRHSDPYTAC-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872031172 633950588 /nfs/dbraw/zinc/95/05/88/633950588.db2.gz GWTAWOJQDLPYJE-NWDGAFQWSA-N 2 1 291.370 3.023 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872040650 633961696 /nfs/dbraw/zinc/96/16/96/633961696.db2.gz ZOJFXTRKGGWTNW-CVEARBPZSA-N 2 1 293.455 3.155 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872071781 633993265 /nfs/dbraw/zinc/99/32/65/633993265.db2.gz XLFFWIAEDNDYCY-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872071781 633993270 /nfs/dbraw/zinc/99/32/70/633993270.db2.gz XLFFWIAEDNDYCY-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872072659 633994672 /nfs/dbraw/zinc/99/46/72/633994672.db2.gz IEYHHSZIKSUVTP-OWCLPIDISA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872072659 633994677 /nfs/dbraw/zinc/99/46/77/633994677.db2.gz IEYHHSZIKSUVTP-OWCLPIDISA-N 2 1 284.488 3.290 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000872144644 634064460 /nfs/dbraw/zinc/06/44/60/634064460.db2.gz CQJYNSFCFCPIKC-LJQANCHMSA-N 2 1 297.446 3.432 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1C(F)(F)F ZINC000872149103 634065466 /nfs/dbraw/zinc/06/54/66/634065466.db2.gz KHQGJAJQTYJXPA-DZGCQCFKSA-N 2 1 298.352 3.133 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)CCCCCC[NH3+])cc2c1 ZINC000872156272 634065632 /nfs/dbraw/zinc/06/56/32/634065632.db2.gz HESBAALHZFNAPW-UHFFFAOYSA-N 2 1 285.435 3.494 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1)C1CCCC1 ZINC000872157041 634067199 /nfs/dbraw/zinc/06/71/99/634067199.db2.gz NCYYFRLDUUIHAH-KBAYOESNSA-N 2 1 294.483 3.175 20 0 CGADMP Cc1nocc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158301 634069100 /nfs/dbraw/zinc/06/91/00/634069100.db2.gz UUKRWRVIVCRFPB-WMLDXEAASA-N 2 1 291.439 3.103 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2C2CC2)CC[N@H+](C2CCC2)C1 ZINC000872552211 634167512 /nfs/dbraw/zinc/16/75/12/634167512.db2.gz UGXMADHYDPWADW-CQSZACIVSA-N 2 1 285.435 3.270 20 0 CGADMP c1c(C[N@@H+](C2CC2)C2CCCC2)sc2c1C[NH2+]CC2 ZINC000873202684 634284975 /nfs/dbraw/zinc/28/49/75/634284975.db2.gz YFNBUMHVTLNDOG-UHFFFAOYSA-N 2 1 276.449 3.301 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000873224689 634290502 /nfs/dbraw/zinc/29/05/02/634290502.db2.gz GDTKSRQWEOQJIM-AWEZNQCLSA-N 2 1 276.424 3.002 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000873224689 634290505 /nfs/dbraw/zinc/29/05/05/634290505.db2.gz GDTKSRQWEOQJIM-AWEZNQCLSA-N 2 1 276.424 3.002 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]CCc1cc(C)cc(C)c1 ZINC000876945872 634933746 /nfs/dbraw/zinc/93/37/46/634933746.db2.gz LCFWNTWYYCBGNY-UHFFFAOYSA-N 2 1 271.408 3.031 20 0 CGADMP C[C@H](CC[NH2+]Cc1cccc(Cl)c1N)[NH+]1CCCCC1 ZINC000877315541 635024205 /nfs/dbraw/zinc/02/42/05/635024205.db2.gz YEZFVULWLKTNAT-CYBMUJFWSA-N 2 1 295.858 3.276 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C(C)C)C2CC2)cn1 ZINC000126485452 635032379 /nfs/dbraw/zinc/03/23/79/635032379.db2.gz SXFWTYPTINDKJP-QGZVFWFLSA-N 2 1 284.407 3.100 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841029588 635109432 /nfs/dbraw/zinc/10/94/32/635109432.db2.gz IJOYTGQFSPFZEY-LBPRGKRZSA-N 2 1 274.380 3.074 20 0 CGADMP Cc1oc2ccccc2c1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877739457 635172729 /nfs/dbraw/zinc/17/27/29/635172729.db2.gz GHAHFGZYLJYRQV-PBHICJAKSA-N 2 1 284.403 3.267 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877739457 635172736 /nfs/dbraw/zinc/17/27/36/635172736.db2.gz GHAHFGZYLJYRQV-PBHICJAKSA-N 2 1 284.403 3.267 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877739457 635172738 /nfs/dbraw/zinc/17/27/38/635172738.db2.gz GHAHFGZYLJYRQV-PBHICJAKSA-N 2 1 284.403 3.267 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741099 635178089 /nfs/dbraw/zinc/17/80/89/635178089.db2.gz UYPUKTFKFXFNPE-NJAFHUGGSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877741099 635178094 /nfs/dbraw/zinc/17/80/94/635178094.db2.gz UYPUKTFKFXFNPE-NJAFHUGGSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877741099 635178098 /nfs/dbraw/zinc/17/80/98/635178098.db2.gz UYPUKTFKFXFNPE-NJAFHUGGSA-N 2 1 272.436 3.125 20 0 CGADMP CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000842473251 635377164 /nfs/dbraw/zinc/37/71/64/635377164.db2.gz RZRMNVYEFXTRAI-BRWVUGGUSA-N 2 1 296.499 3.421 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000878162731 635388187 /nfs/dbraw/zinc/38/81/87/635388187.db2.gz IWNRLPXZXWVDCX-JYJNAYRXSA-N 2 1 296.499 3.385 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000878162731 635388190 /nfs/dbraw/zinc/38/81/90/635388190.db2.gz IWNRLPXZXWVDCX-JYJNAYRXSA-N 2 1 296.499 3.385 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000878162731 635388194 /nfs/dbraw/zinc/38/81/94/635388194.db2.gz IWNRLPXZXWVDCX-JYJNAYRXSA-N 2 1 296.499 3.385 20 0 CGADMP CCC[N@H+](Cc1cnc(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC000843044099 635548009 /nfs/dbraw/zinc/54/80/09/635548009.db2.gz CVPPIHCVXPTJIE-UHFFFAOYSA-N 2 1 281.831 3.007 20 0 CGADMP CCC[N@@H+](Cc1cnc(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC000843044099 635548015 /nfs/dbraw/zinc/54/80/15/635548015.db2.gz CVPPIHCVXPTJIE-UHFFFAOYSA-N 2 1 281.831 3.007 20 0 CGADMP Clc1csc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843044193 635548041 /nfs/dbraw/zinc/54/80/41/635548041.db2.gz XZRLOLWSQGNAFK-UHFFFAOYSA-N 2 1 270.829 3.118 20 0 CGADMP Clc1csc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843044193 635548046 /nfs/dbraw/zinc/54/80/46/635548046.db2.gz XZRLOLWSQGNAFK-UHFFFAOYSA-N 2 1 270.829 3.118 20 0 CGADMP C[N@@H+](CCSCc1ccccc1)C1CCC([NH3+])CC1 ZINC000843055269 635551731 /nfs/dbraw/zinc/55/17/31/635551731.db2.gz UYWZHYZQQSYGFE-UHFFFAOYSA-N 2 1 278.465 3.122 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1F ZINC000843062220 635555345 /nfs/dbraw/zinc/55/53/45/635555345.db2.gz NLBIULBIFOIFOO-MLGOLLRUSA-N 2 1 280.362 3.101 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1F ZINC000843062220 635555349 /nfs/dbraw/zinc/55/53/49/635555349.db2.gz NLBIULBIFOIFOO-MLGOLLRUSA-N 2 1 280.362 3.101 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000878653183 635592209 /nfs/dbraw/zinc/59/22/09/635592209.db2.gz ZYYZTQRAROPODP-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000878653183 635592213 /nfs/dbraw/zinc/59/22/13/635592213.db2.gz ZYYZTQRAROPODP-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000878653183 635592219 /nfs/dbraw/zinc/59/22/19/635592219.db2.gz ZYYZTQRAROPODP-GJZGRUSLSA-N 2 1 286.410 3.230 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879573474 635813857 /nfs/dbraw/zinc/81/38/57/635813857.db2.gz OPHCYQFFTPKKQO-UXHICEINSA-N 2 1 294.442 3.408 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880002258 635895324 /nfs/dbraw/zinc/89/53/24/635895324.db2.gz IOMFBOWCAKNSMR-ZDUSSCGKSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880002258 635895325 /nfs/dbraw/zinc/89/53/25/635895325.db2.gz IOMFBOWCAKNSMR-ZDUSSCGKSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1csc([C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000880009365 635897626 /nfs/dbraw/zinc/89/76/26/635897626.db2.gz NBMCYMMCNHLRTG-HUUCEWRRSA-N 2 1 293.480 3.115 20 0 CGADMP Cc1csc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000880009365 635897627 /nfs/dbraw/zinc/89/76/27/635897627.db2.gz NBMCYMMCNHLRTG-HUUCEWRRSA-N 2 1 293.480 3.115 20 0 CGADMP Cc1csc([C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000880009365 635897629 /nfs/dbraw/zinc/89/76/29/635897629.db2.gz NBMCYMMCNHLRTG-HUUCEWRRSA-N 2 1 293.480 3.115 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880204213 635936571 /nfs/dbraw/zinc/93/65/71/635936571.db2.gz SAHSWJAGKMULTB-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880204213 635936573 /nfs/dbraw/zinc/93/65/73/635936573.db2.gz SAHSWJAGKMULTB-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccnc(Cl)c1 ZINC000844922328 635985195 /nfs/dbraw/zinc/98/51/95/635985195.db2.gz AVUQUFPBRKJUDE-SNVBAGLBSA-N 2 1 293.773 3.184 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000845996586 636127684 /nfs/dbraw/zinc/12/76/84/636127684.db2.gz QHKVIKTYSSZTQX-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000845996586 636127685 /nfs/dbraw/zinc/12/76/85/636127685.db2.gz QHKVIKTYSSZTQX-UHFFFAOYSA-N 2 1 285.435 3.302 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)[C@@H](C)C1 ZINC000883194347 636578252 /nfs/dbraw/zinc/57/82/52/636578252.db2.gz UCDHQZFKMIAAMD-KKUMJFAQSA-N 2 1 250.430 3.029 20 0 CGADMP CCSc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000883245120 636613888 /nfs/dbraw/zinc/61/38/88/636613888.db2.gz DUGKZGFLTIJSFX-ZFWWWQNUSA-N 2 1 278.465 3.371 20 0 CGADMP FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883264942 636634716 /nfs/dbraw/zinc/63/47/16/636634716.db2.gz NWUNKOJFYZWYGR-RDBSUJKOSA-N 2 1 272.383 3.028 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883416001 636748528 /nfs/dbraw/zinc/74/85/28/636748528.db2.gz JJJSOGIADSZJDW-LEUOFYLZSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883416001 636748536 /nfs/dbraw/zinc/74/85/36/636748536.db2.gz JJJSOGIADSZJDW-LEUOFYLZSA-N 2 1 288.435 3.108 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CC[C@@H]1CCCC1(F)F)CC[NH2+]CC2 ZINC000883434549 636755731 /nfs/dbraw/zinc/75/57/31/636755731.db2.gz UTZRPYGGTGNXDP-KBPBESRZSA-N 2 1 286.410 3.276 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000883439375 636756029 /nfs/dbraw/zinc/75/60/29/636756029.db2.gz PUYZQVCBMWVXSL-WBVHZDCISA-N 2 1 294.483 3.175 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2ccns2)C1)C1CCCC1 ZINC000883440891 636758874 /nfs/dbraw/zinc/75/88/74/636758874.db2.gz BYVYMCXIMMLXBQ-CZUORRHYSA-N 2 1 293.480 3.263 20 0 CGADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000883461867 636761624 /nfs/dbraw/zinc/76/16/24/636761624.db2.gz FIVFGMVIWHKNOT-YJBOKZPZSA-N 2 1 270.420 3.310 20 0 CGADMP Cc1cscc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132182302 636789893 /nfs/dbraw/zinc/78/98/93/636789893.db2.gz DXXQUHYNYXUZKV-LSDHHAIUSA-N 2 1 258.390 3.291 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCCC1 ZINC000885920932 637312025 /nfs/dbraw/zinc/31/20/25/637312025.db2.gz LQHDRHKBCJIJLP-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCCCC2)C[C@H]1C ZINC000886032542 637374996 /nfs/dbraw/zinc/37/49/96/637374996.db2.gz IPGUHNSXABXJRT-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CCCCC2)C[C@H]1C ZINC000886032542 637375002 /nfs/dbraw/zinc/37/50/02/637375002.db2.gz IPGUHNSXABXJRT-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CCCCC2)C[C@H]1C ZINC000886032542 637375010 /nfs/dbraw/zinc/37/50/10/637375010.db2.gz IPGUHNSXABXJRT-CVEARBPZSA-N 2 1 282.472 3.140 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886307595 637492555 /nfs/dbraw/zinc/49/25/55/637492555.db2.gz WVBJQNJGLZKPBH-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886498436 637543152 /nfs/dbraw/zinc/54/31/52/637543152.db2.gz AIHOZCSHAFPUMV-UHFFFAOYSA-N 2 1 295.515 3.103 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000886511185 637547816 /nfs/dbraw/zinc/54/78/16/637547816.db2.gz LQIVXLLBYSBMCT-LUKYLMHMSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000886511185 637547825 /nfs/dbraw/zinc/54/78/25/637547825.db2.gz LQIVXLLBYSBMCT-LUKYLMHMSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1C[NH2+][C@@H](C)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000003716188 637656478 /nfs/dbraw/zinc/65/64/78/637656478.db2.gz XUTWPKJOWFCPRF-WDEREUQCSA-N 2 1 275.783 3.075 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@@H]21 ZINC000220348338 637658549 /nfs/dbraw/zinc/65/85/49/637658549.db2.gz VOCJGBUMLBHPIP-VHRBIJSZSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@@H]21 ZINC000220348338 637658564 /nfs/dbraw/zinc/65/85/64/637658564.db2.gz VOCJGBUMLBHPIP-VHRBIJSZSA-N 2 1 282.790 3.038 20 0 CGADMP C[N@@H+](C[C@@H]1CCCCC1(C)C)C1CCC([NH3+])CC1 ZINC000852741573 637703765 /nfs/dbraw/zinc/70/37/65/637703765.db2.gz VZLDURJJSBFVGC-NFOMZHRRSA-N 2 1 252.446 3.405 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924577332 638365636 /nfs/dbraw/zinc/36/56/36/638365636.db2.gz JCGMBMFHYCQTSR-AWEZNQCLSA-N 2 1 290.455 3.133 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924616365 638376240 /nfs/dbraw/zinc/37/62/40/638376240.db2.gz BZGKDDDOXHHDDL-HNNXBMFYSA-N 2 1 292.467 3.295 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@@H+]1CCC[C@H](C)C1 ZINC000924667264 638385334 /nfs/dbraw/zinc/38/53/34/638385334.db2.gz KRXMJOVEUSAYOU-MGLUKCQKSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@H+]1CCC[C@H](C)C1 ZINC000924667264 638385338 /nfs/dbraw/zinc/38/53/38/638385338.db2.gz KRXMJOVEUSAYOU-MGLUKCQKSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ncco1 ZINC000924686379 638388996 /nfs/dbraw/zinc/38/89/96/638388996.db2.gz SCUPRGXEEUGBSB-ZNMIVQPWSA-N 2 1 279.428 3.083 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ncco1 ZINC000924686379 638388998 /nfs/dbraw/zinc/38/89/98/638388998.db2.gz SCUPRGXEEUGBSB-ZNMIVQPWSA-N 2 1 279.428 3.083 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)C1 ZINC000924704978 638392280 /nfs/dbraw/zinc/39/22/80/638392280.db2.gz JKRLEGXJXHVSFE-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]([NH2+]Cc1nccs1)c1cccc(C[NH+](C)C)c1 ZINC000924731429 638395910 /nfs/dbraw/zinc/39/59/10/638395910.db2.gz XUDNVDHYUNAGOU-GFCCVEGCSA-N 2 1 275.421 3.056 20 0 CGADMP Cc1nc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cs1 ZINC000924723443 638395926 /nfs/dbraw/zinc/39/59/26/638395926.db2.gz RABNGQGEPBHSKZ-GFCCVEGCSA-N 2 1 289.448 3.364 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924749020 638397765 /nfs/dbraw/zinc/39/77/65/638397765.db2.gz DQOJYEKFWLPWMM-UYVKZUBASA-N 2 1 296.499 3.004 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924749020 638397775 /nfs/dbraw/zinc/39/77/75/638397775.db2.gz DQOJYEKFWLPWMM-UYVKZUBASA-N 2 1 296.499 3.004 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000924949512 638429170 /nfs/dbraw/zinc/42/91/70/638429170.db2.gz GPTLCHABVJKZBT-RYUDHWBXSA-N 2 1 291.370 3.023 20 0 CGADMP CC[NH+](CC)C[C@H](C)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924956281 638431225 /nfs/dbraw/zinc/43/12/25/638431225.db2.gz XZKGUKDRZIXUER-HOTGVXAUSA-N 2 1 291.483 3.129 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC2(C1)CCCC2 ZINC000925133642 638459167 /nfs/dbraw/zinc/45/91/67/638459167.db2.gz MTFASCBOIXRCBI-UHFFFAOYSA-N 2 1 261.413 3.284 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000925495297 638511665 /nfs/dbraw/zinc/51/16/65/638511665.db2.gz NUYONXPMWMJVAK-LIRRHRJNSA-N 2 1 293.414 3.389 20 0 CGADMP CC1(C)C[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C[C@@H]([NH3+])C1 ZINC000925514433 638515104 /nfs/dbraw/zinc/51/51/04/638515104.db2.gz OKKRQBFVLHEFLS-CABCVRRESA-N 2 1 299.418 3.337 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C2CC2)cc1 ZINC000925534309 638521586 /nfs/dbraw/zinc/52/15/86/638521586.db2.gz VALUTPKEWZQJHQ-XREYTECCSA-N 2 1 282.431 3.032 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000925566359 638531679 /nfs/dbraw/zinc/53/16/79/638531679.db2.gz HFUNIGHKWJPDOE-HIFRSBDPSA-N 2 1 276.449 3.041 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)c[nH]c21 ZINC000925570998 638533545 /nfs/dbraw/zinc/53/35/45/638533545.db2.gz CPCAISOFRHZHKS-QGZVFWFLSA-N 2 1 297.446 3.147 20 0 CGADMP CCOCCC1(C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000925582453 638536894 /nfs/dbraw/zinc/53/68/94/638536894.db2.gz FHQFJFWJHCWBBX-RDJZCZTQSA-N 2 1 290.451 3.261 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1 ZINC000925652267 638558055 /nfs/dbraw/zinc/55/80/55/638558055.db2.gz PGBONXOSIATVMP-CJNGLKHVSA-N 2 1 258.409 3.387 20 0 CGADMP Clc1cscc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925770617 638604243 /nfs/dbraw/zinc/60/42/43/638604243.db2.gz JMQAJNJULAUYKT-FPMFFAJLSA-N 2 1 284.856 3.412 20 0 CGADMP c1cnc2ccc(CC[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000925810417 638619769 /nfs/dbraw/zinc/61/97/69/638619769.db2.gz AEEGRNFNYQFHGF-SFHVURJKSA-N 2 1 295.430 3.042 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(C)o1 ZINC000925839383 638628941 /nfs/dbraw/zinc/62/89/41/638628941.db2.gz BKNFEWHJBUUCEU-APHBMKBZSA-N 2 1 262.397 3.079 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000858111743 638632009 /nfs/dbraw/zinc/63/20/09/638632009.db2.gz RDLSTIAFHNPMAU-XJKSGUPXSA-N 2 1 278.415 3.392 20 0 CGADMP c1cnc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925872043 638636530 /nfs/dbraw/zinc/63/65/30/638636530.db2.gz NSPNLOJIWSZJMF-OKZBNKHCSA-N 2 1 299.462 3.217 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC1(C)C ZINC000858172091 638650015 /nfs/dbraw/zinc/65/00/15/638650015.db2.gz JLVHHRMGGKUIQW-YPMHNXCESA-N 2 1 293.282 3.423 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)nc1 ZINC000858490488 638741073 /nfs/dbraw/zinc/74/10/73/638741073.db2.gz ILMXOODDQOLALN-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)nc1 ZINC000858490488 638741077 /nfs/dbraw/zinc/74/10/77/638741077.db2.gz ILMXOODDQOLALN-QWHCGFSZSA-N 2 1 281.831 3.118 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000926330027 638763457 /nfs/dbraw/zinc/76/34/57/638763457.db2.gz JOLNKSKOWUQOFE-SOLBZPMBSA-N 2 1 289.467 3.113 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C1CCCC1 ZINC000926540916 638783097 /nfs/dbraw/zinc/78/30/97/638783097.db2.gz HFGYQDKNBVJVLJ-HQSKLWIPSA-N 2 1 294.483 3.187 20 0 CGADMP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926736858 638805376 /nfs/dbraw/zinc/80/53/76/638805376.db2.gz BPPQPGBHXRYLJN-DZOHQFGASA-N 2 1 274.452 3.053 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2C)[C@H](C)C1 ZINC000930000022 638967376 /nfs/dbraw/zinc/96/73/76/638967376.db2.gz LQWQDZWEGRLLPA-RHSMWYFYSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@@H](c1ccc(F)nc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309766 638989918 /nfs/dbraw/zinc/98/99/18/638989918.db2.gz LWBAOZZPYCGMSC-AWEZNQCLSA-N 2 1 291.414 3.090 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859080223 639073646 /nfs/dbraw/zinc/07/36/46/639073646.db2.gz GSJFSMNXMDPVLT-UHFFFAOYSA-N 2 1 293.430 3.165 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CC[C@@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000931316799 639134317 /nfs/dbraw/zinc/13/43/17/639134317.db2.gz KMVPRLCICGTFJG-SOUVJXGZSA-N 2 1 286.410 3.086 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CC[C@@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000931316799 639134319 /nfs/dbraw/zinc/13/43/19/639134319.db2.gz KMVPRLCICGTFJG-SOUVJXGZSA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CC[C@@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000931316799 639134324 /nfs/dbraw/zinc/13/43/24/639134324.db2.gz KMVPRLCICGTFJG-SOUVJXGZSA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000931316799 639134326 /nfs/dbraw/zinc/13/43/26/639134326.db2.gz KMVPRLCICGTFJG-SOUVJXGZSA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC000931316797 639134484 /nfs/dbraw/zinc/13/44/84/639134484.db2.gz KMVPRLCICGTFJG-RBSFLKMASA-N 2 1 286.410 3.086 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000931700323 639192017 /nfs/dbraw/zinc/19/20/17/639192017.db2.gz NMWJEMRDHDBECF-INIZCTEOSA-N 2 1 292.467 3.038 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1(C2CCCCC2)CC1 ZINC000934788800 639676022 /nfs/dbraw/zinc/67/60/22/639676022.db2.gz VGMJXRFEBZLVSP-UHFFFAOYSA-N 2 1 261.413 3.284 20 0 CGADMP C[N@@H+](CCSc1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000091846561 640725054 /nfs/dbraw/zinc/72/50/54/640725054.db2.gz BBEVUOBLTMXDBX-UHFFFAOYSA-N 2 1 282.428 3.120 20 0 CGADMP CC[C@H]1CC[C@@H](C)[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251742628 640831887 /nfs/dbraw/zinc/83/18/87/640831887.db2.gz UABXBROCDKJKTJ-SDKNFDLMSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C[C@H]1C[NH3+] ZINC000253194598 640874572 /nfs/dbraw/zinc/87/45/72/640874572.db2.gz QJCOAPUXAGGHGR-CHWSQXEVSA-N 2 1 274.433 3.318 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1cccc(C)c1 ZINC001253214826 806182734 /nfs/dbraw/zinc/18/27/34/806182734.db2.gz SWBTZHXNQGEXIV-QZTJIDSGSA-N 2 1 292.467 3.129 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1cccc(C)c1 ZINC001253214828 806183245 /nfs/dbraw/zinc/18/32/45/806183245.db2.gz SWBTZHXNQGEXIV-ZWKOTPCHSA-N 2 1 292.467 3.129 20 0 CGADMP CC[NH2+]Cc1cccc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001159956018 806204501 /nfs/dbraw/zinc/20/45/01/806204501.db2.gz CWBPWHLDKPLQQC-UHFFFAOYSA-N 2 1 266.348 3.416 20 0 CGADMP CCCCC[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001253546798 806247388 /nfs/dbraw/zinc/24/73/88/806247388.db2.gz AGDRIEXKEFTTNQ-MSOLQXFVSA-N 2 1 292.467 3.210 20 0 CGADMP C[C@H](C[NH3+])CN(Cc1ccccc1)c1ccc2c([nH+]1)CCC2 ZINC001160662159 806292254 /nfs/dbraw/zinc/29/22/54/806292254.db2.gz PPKQJBOAOAQEMQ-OAHLLOKOSA-N 2 1 295.430 3.172 20 0 CGADMP CC(C)Oc1cc[nH+]c(NCc2[nH+]cn3ccccc23)c1 ZINC001161684054 806416860 /nfs/dbraw/zinc/41/68/60/806416860.db2.gz BKWYVMGIMRFBQY-UHFFFAOYSA-N 2 1 282.347 3.129 20 0 CGADMP Cc1cc(C)cc(OC[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254499361 806420941 /nfs/dbraw/zinc/42/09/41/806420941.db2.gz FKBKLDINYQZBDB-DLBZAZTESA-N 2 1 290.451 3.145 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001254505862 806424552 /nfs/dbraw/zinc/42/45/52/806424552.db2.gz KEQMPWJZUHKIRH-HOCLYGCPSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCCc2cccc(Cl)c2)CC1 ZINC001254505947 806424828 /nfs/dbraw/zinc/42/48/28/806424828.db2.gz MEMKGVSOHXAVBG-MRXNPFEDSA-N 2 1 280.843 3.347 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@H]1CCC[N@H+](C)CC1 ZINC001254506076 806425031 /nfs/dbraw/zinc/42/50/31/806425031.db2.gz OTLYGLBQOPCPFD-DOTOQJQBSA-N 2 1 287.451 3.079 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001254511098 806429694 /nfs/dbraw/zinc/42/96/94/806429694.db2.gz VHCMLWZBVNDTCX-CVEARBPZSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001254507537 806426636 /nfs/dbraw/zinc/42/66/36/806426636.db2.gz MGENGPIZOLVAMJ-LJQANCHMSA-N 2 1 295.430 3.323 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507333 806427244 /nfs/dbraw/zinc/42/72/44/806427244.db2.gz AUXFWXVFFMKHRP-CJNGLKHVSA-N 2 1 293.842 3.260 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507333 806427251 /nfs/dbraw/zinc/42/72/51/806427251.db2.gz AUXFWXVFFMKHRP-CJNGLKHVSA-N 2 1 293.842 3.260 20 0 CGADMP Cc1ccc(CC2(C[NH2+][C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254510699 806430778 /nfs/dbraw/zinc/43/07/78/806430778.db2.gz PKISIBCKKUURMN-SFHVURJKSA-N 2 1 286.463 3.392 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(CC3CCC3)CC2)CC1 ZINC001254510781 806431428 /nfs/dbraw/zinc/43/14/28/806431428.db2.gz QKZRKYIHWAXFMR-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(C)CCC(F)(F)CC2)CC1 ZINC001254512766 806433211 /nfs/dbraw/zinc/43/32/11/806433211.db2.gz RHRODXHYUMYGKE-ZDUSSCGKSA-N 2 1 274.399 3.276 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515579 806436177 /nfs/dbraw/zinc/43/61/77/806436177.db2.gz YRGPWCWCLRUICA-ZFWWWQNUSA-N 2 1 294.826 3.238 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515579 806436182 /nfs/dbraw/zinc/43/61/82/806436182.db2.gz YRGPWCWCLRUICA-ZFWWWQNUSA-N 2 1 294.826 3.238 20 0 CGADMP C[C@H]([NH3+])c1cn([C@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254515550 806436963 /nfs/dbraw/zinc/43/69/63/806436963.db2.gz YGEFBLSOAFTXBN-KBPBESRZSA-N 2 1 271.408 3.318 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(c3ccccc3)CC2)CC1 ZINC001254519108 806436419 /nfs/dbraw/zinc/43/64/19/806436419.db2.gz GRFFIYCKULPMGQ-SFHVURJKSA-N 2 1 272.436 3.350 20 0 CGADMP Cc1cc[nH+]c(N2CCC([NH3+])(Cc3ccccc3F)CC2)c1 ZINC001161985562 806497621 /nfs/dbraw/zinc/49/76/21/806497621.db2.gz ISHNWSMJFJYJAI-UHFFFAOYSA-N 2 1 299.393 3.070 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCCC2)C3)cc1 ZINC001255137647 806551703 /nfs/dbraw/zinc/55/17/03/806551703.db2.gz VKQIXQAIYXYDHO-PIIMJCKOSA-N 2 1 270.420 3.278 20 0 CGADMP CC(C)(C)C[N@@H+]([C@@H]1CCSC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255275380 806590163 /nfs/dbraw/zinc/59/01/63/806590163.db2.gz JNDQRHGBGLWTLK-MGPQQGTHSA-N 2 1 270.486 3.110 20 0 CGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](C1CCC(C)(C)CC1)CC2 ZINC001255308473 806603455 /nfs/dbraw/zinc/60/34/55/806603455.db2.gz ZXCQOZRYSDNFJK-UHFFFAOYSA-N 2 1 293.455 3.085 20 0 CGADMP CCCC[C@@H](C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001255326491 806613940 /nfs/dbraw/zinc/61/39/40/806613940.db2.gz RHWPVRVXKLUYMT-CQSZACIVSA-N 2 1 292.471 3.120 20 0 CGADMP CCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377057 806628182 /nfs/dbraw/zinc/62/81/82/806628182.db2.gz DXFPOPYGRDKRKB-KRWDZBQOSA-N 2 1 260.425 3.431 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382159 806630076 /nfs/dbraw/zinc/63/00/76/806630076.db2.gz SIUPZYKUJIXARS-HYVNUMGLSA-N 2 1 258.409 3.039 20 0 CGADMP CCC[N@@H+](C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255398617 806633093 /nfs/dbraw/zinc/63/30/93/806633093.db2.gz LDWPMAYDICGQEH-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255398617 806633095 /nfs/dbraw/zinc/63/30/95/806633095.db2.gz LDWPMAYDICGQEH-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP CCC[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255398617 806633098 /nfs/dbraw/zinc/63/30/98/806633098.db2.gz LDWPMAYDICGQEH-QGZVFWFLSA-N 2 1 260.425 3.383 20 0 CGADMP COC[C@H](C)[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255565548 806675504 /nfs/dbraw/zinc/67/55/04/806675504.db2.gz SSCOFXQKHNKGGW-SZMVWBNQSA-N 2 1 290.451 3.102 20 0 CGADMP CCCc1cc(NC(C[NH3+])(CCC)CCC)nc(C)[nH+]1 ZINC001163038935 806695538 /nfs/dbraw/zinc/69/55/38/806695538.db2.gz VHTYSWWPZUIYOA-UHFFFAOYSA-N 2 1 278.444 3.447 20 0 CGADMP Cc1ccc(C2(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC001255671488 806700914 /nfs/dbraw/zinc/70/09/14/806700914.db2.gz MABRGCRCRFOEQG-ALOPSCKCSA-N 2 1 299.462 3.027 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255684887 806705742 /nfs/dbraw/zinc/70/57/42/806705742.db2.gz VNURUXNKRLHUSU-VFSICIBPSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684887 806705746 /nfs/dbraw/zinc/70/57/46/806705746.db2.gz VNURUXNKRLHUSU-VFSICIBPSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255684887 806705748 /nfs/dbraw/zinc/70/57/48/806705748.db2.gz VNURUXNKRLHUSU-VFSICIBPSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255684887 806705754 /nfs/dbraw/zinc/70/57/54/806705754.db2.gz VNURUXNKRLHUSU-VFSICIBPSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255684887 806705758 /nfs/dbraw/zinc/70/57/58/806705758.db2.gz VNURUXNKRLHUSU-VFSICIBPSA-N 2 1 250.430 3.122 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255714275 806715086 /nfs/dbraw/zinc/71/50/86/806715086.db2.gz RMOZTUSBTXQEEF-KBPBESRZSA-N 2 1 292.389 3.381 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001255727453 806722294 /nfs/dbraw/zinc/72/22/94/806722294.db2.gz DZGQQDBIXQGTSZ-DZGCQCFKSA-N 2 1 296.455 3.380 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379647129 799352030 /nfs/dbraw/zinc/35/20/30/799352030.db2.gz JWGLBKIFMUBBOB-BFYDXBDKSA-N 2 1 260.425 3.285 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000381451583 799380582 /nfs/dbraw/zinc/38/05/82/799380582.db2.gz GZWYOEYCBRKULK-GUYCJALGSA-N 2 1 254.377 3.151 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2ccccc21 ZINC000381451583 799380587 /nfs/dbraw/zinc/38/05/87/799380587.db2.gz GZWYOEYCBRKULK-GUYCJALGSA-N 2 1 254.377 3.151 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@H]12 ZINC000381944676 799390082 /nfs/dbraw/zinc/39/00/82/799390082.db2.gz ZUDWBJDQWCQSKA-CWRNSKLLSA-N 2 1 262.441 3.159 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC2CCC1CC2)[NH+]1CCCC1 ZINC000381939931 799390334 /nfs/dbraw/zinc/39/03/34/799390334.db2.gz APVAPIKDXKJWDD-GQGLESIBSA-N 2 1 264.457 3.275 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC3CCC2CC3)CCCC1 ZINC000382155331 799394259 /nfs/dbraw/zinc/39/42/59/799394259.db2.gz SDAXHQULVCNAMQ-YMAMQOFZSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001255776078 806745882 /nfs/dbraw/zinc/74/58/82/806745882.db2.gz FEWAJBHUUCDJKR-NJAFHUGGSA-N 2 1 274.452 3.388 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000383950106 799410463 /nfs/dbraw/zinc/41/04/63/799410463.db2.gz ZTJMVVSIRWPUII-ZDUSSCGKSA-N 2 1 286.341 3.266 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000383950106 799410465 /nfs/dbraw/zinc/41/04/65/799410465.db2.gz ZTJMVVSIRWPUII-ZDUSSCGKSA-N 2 1 286.341 3.266 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cs1 ZINC000384994998 799421416 /nfs/dbraw/zinc/42/14/16/799421416.db2.gz RFYVGMFXGDLYSN-OAHLLOKOSA-N 2 1 264.438 3.022 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cs1 ZINC000384994998 799421424 /nfs/dbraw/zinc/42/14/24/799421424.db2.gz RFYVGMFXGDLYSN-OAHLLOKOSA-N 2 1 264.438 3.022 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000385458427 799426489 /nfs/dbraw/zinc/42/64/89/799426489.db2.gz GKHNKERHQJNMCR-QDMKHBRRSA-N 2 1 250.430 3.172 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000385944620 799430550 /nfs/dbraw/zinc/43/05/50/799430550.db2.gz MPDXGUXNPCTCEH-LBPRGKRZSA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000385944620 799430553 /nfs/dbraw/zinc/43/05/53/799430553.db2.gz MPDXGUXNPCTCEH-LBPRGKRZSA-N 2 1 270.779 3.040 20 0 CGADMP CCOc1cc[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001163365220 806749479 /nfs/dbraw/zinc/74/94/79/806749479.db2.gz YOJIAFJLQNLVBO-UKRRQHHQSA-N 2 1 277.412 3.011 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000392290752 799481322 /nfs/dbraw/zinc/48/13/22/799481322.db2.gz KKPOYZMTGCVHKG-BRWVUGGUSA-N 2 1 262.441 3.197 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000687964335 799743730 /nfs/dbraw/zinc/74/37/30/799743730.db2.gz XMWWSQDVLVHCRA-LBPRGKRZSA-N 2 1 264.438 3.016 20 0 CGADMP C[C@H]([N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2)C1(C)CC1 ZINC000688047709 799744437 /nfs/dbraw/zinc/74/44/37/799744437.db2.gz HOCIKPFSPBFNHF-NSHDSACASA-N 2 1 264.438 3.014 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001255860143 806773378 /nfs/dbraw/zinc/77/33/78/806773378.db2.gz AWAJRYZBXBYJDF-JQFCIGGWSA-N 2 1 278.415 3.219 20 0 CGADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC2(C1)CCCCC2 ZINC000697087383 799843377 /nfs/dbraw/zinc/84/33/77/799843377.db2.gz IDDIGRZWXLOJCM-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP CC[C@@H]1CCCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699264066 799859862 /nfs/dbraw/zinc/85/98/62/799859862.db2.gz PZMUOKKXLCJYCU-WTXIUTQJSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000703807476 799930183 /nfs/dbraw/zinc/93/01/83/799930183.db2.gz OJRAERQZQGOELF-GOOCMWNKSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)C(C)C ZINC000706466327 799961719 /nfs/dbraw/zinc/96/17/19/799961719.db2.gz FPHBJZPGZGLBTH-HNSVSWJLSA-N 2 1 252.446 3.274 20 0 CGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707271614 799976776 /nfs/dbraw/zinc/97/67/76/799976776.db2.gz SOTOMCSWYUWUKU-WFDRTZIDSA-N 2 1 282.497 3.123 20 0 CGADMP C1C[N@H+]([C@@H]2CCCC[NH2+]C2)C[C@@H]1C1CCCCC1 ZINC000708832936 799995201 /nfs/dbraw/zinc/99/52/01/799995201.db2.gz UKESGGHZXSEAQJ-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[N@H+](C2CCC(C(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000708834572 799996637 /nfs/dbraw/zinc/99/66/37/799996637.db2.gz FSKOYJKBDCXHDY-ZUJMUWTESA-N 2 1 252.446 3.118 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC(C)(C)C1 ZINC000708844879 799996860 /nfs/dbraw/zinc/99/68/60/799996860.db2.gz OSJKIPMXQHZNPH-VGWMRTNUSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1coc2ccccc12 ZINC000710757329 800038533 /nfs/dbraw/zinc/03/85/33/800038533.db2.gz DTXFOUWNLMDWQT-UHFFFAOYSA-N 2 1 260.381 3.384 20 0 CGADMP CCCc1nc(C[N@H+](C)CCCCCC[NH3+])cs1 ZINC000710799536 800039949 /nfs/dbraw/zinc/03/99/49/800039949.db2.gz QLDTWKWDNJIQHZ-UHFFFAOYSA-N 2 1 269.458 3.047 20 0 CGADMP CCCc1nc(C[N@@H+](C)CCCCCC[NH3+])cs1 ZINC000710799536 800039957 /nfs/dbraw/zinc/03/99/57/800039957.db2.gz QLDTWKWDNJIQHZ-UHFFFAOYSA-N 2 1 269.458 3.047 20 0 CGADMP C[NH+](C)C1(C)CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000715499827 800136288 /nfs/dbraw/zinc/13/62/88/800136288.db2.gz HYRQSDMCMCZBND-UHFFFAOYSA-N 2 1 272.396 3.238 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000715493132 800136574 /nfs/dbraw/zinc/13/65/74/800136574.db2.gz WXXJAKVTAAAHCV-GHMZBOCLSA-N 2 1 272.845 3.364 20 0 CGADMP Cc1ccc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC001256066910 806809929 /nfs/dbraw/zinc/80/99/29/806809929.db2.gz XQDDQJDDHUBLHK-UHFFFAOYSA-N 2 1 278.465 3.206 20 0 CGADMP CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717933167 800208529 /nfs/dbraw/zinc/20/85/29/800208529.db2.gz AXLPDXIDCZJWGU-OIISXLGYSA-N 2 1 260.425 3.415 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723671017 800336873 /nfs/dbraw/zinc/33/68/73/800336873.db2.gz XVHHBPKOCIABOE-NEPJUHHUSA-N 2 1 252.789 3.072 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000723694794 800338296 /nfs/dbraw/zinc/33/82/96/800338296.db2.gz IJKXOBZULREFEH-JKSUJKDBSA-N 2 1 260.425 3.344 20 0 CGADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000723878404 800343339 /nfs/dbraw/zinc/34/33/39/800343339.db2.gz AUESATQYQMKIGR-RHSMWYFYSA-N 2 1 275.440 3.038 20 0 CGADMP CN1CCC([N@H+]2CCC[C@H](CCc3ccccc3)C2)CC1 ZINC001256209925 806848396 /nfs/dbraw/zinc/84/83/96/806848396.db2.gz XIVUDNGEFKSXNJ-GOSISDBHSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC([N@@H+]2CCC[C@H](CCc3ccccc3)C2)CC1 ZINC001256209925 806848406 /nfs/dbraw/zinc/84/84/06/806848406.db2.gz XIVUDNGEFKSXNJ-GOSISDBHSA-N 2 1 286.463 3.425 20 0 CGADMP C[NH+]1CCC([N@H+]2CCC[C@H](CCc3ccccc3)C2)CC1 ZINC001256209925 806848411 /nfs/dbraw/zinc/84/84/11/806848411.db2.gz XIVUDNGEFKSXNJ-GOSISDBHSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)C2CCN(C)CC2)c1C ZINC001256209951 806850869 /nfs/dbraw/zinc/85/08/69/806850869.db2.gz YETHHQJXUCVIJJ-UHFFFAOYSA-N 2 1 272.436 3.362 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001256569707 806919640 /nfs/dbraw/zinc/91/96/40/806919640.db2.gz NWMCOHKMMLWOPA-ZDUSSCGKSA-N 2 1 256.409 3.073 20 0 CGADMP CS[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC001116708842 802400045 /nfs/dbraw/zinc/40/00/45/802400045.db2.gz BGHZKEQCXBTKEV-LSDHHAIUSA-N 2 1 270.486 3.078 20 0 CGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172755518 808432043 /nfs/dbraw/zinc/43/20/43/808432043.db2.gz IGXPYAITWXODQK-OAHLLOKOSA-N 2 1 298.471 3.090 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001117748290 802486790 /nfs/dbraw/zinc/48/67/90/802486790.db2.gz VCQHOAUVONHFOB-MIGBEJBISA-N 2 1 272.436 3.141 20 0 CGADMP FC1(F)CC[C@H](C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256894486 807000893 /nfs/dbraw/zinc/00/08/93/807000893.db2.gz KSEUBSRHIFEYCQ-KBPBESRZSA-N 2 1 286.410 3.418 20 0 CGADMP FC1(F)CC[C@H](C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256894486 807000901 /nfs/dbraw/zinc/00/09/01/807000901.db2.gz KSEUBSRHIFEYCQ-KBPBESRZSA-N 2 1 286.410 3.418 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C[C@H]1C[NH3+] ZINC001205306680 812945702 /nfs/dbraw/zinc/94/57/02/812945702.db2.gz YVIIIZPDLQEWME-WCQYABFASA-N 2 1 291.826 3.238 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2-n2cccc2)CC1 ZINC001205280837 812928905 /nfs/dbraw/zinc/92/89/05/812928905.db2.gz JYDPQPMZTTWZJO-GOSISDBHSA-N 2 1 283.419 3.181 20 0 CGADMP CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Cl ZINC001206810584 813443525 /nfs/dbraw/zinc/44/35/25/813443525.db2.gz ORTPLNXYFJLCQJ-GXTWGEPZSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Cl ZINC001206810584 813443529 /nfs/dbraw/zinc/44/35/29/813443529.db2.gz ORTPLNXYFJLCQJ-GXTWGEPZSA-N 2 1 280.843 3.462 20 0 CGADMP Cc1csc(CN2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001137159587 803691270 /nfs/dbraw/zinc/69/12/70/803691270.db2.gz GBXMTWTXVYOXMD-UHFFFAOYSA-N 2 1 264.438 3.115 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137687845 803758699 /nfs/dbraw/zinc/75/86/99/803758699.db2.gz FWZGBFMPUOLWTG-GASCZTMLSA-N 2 1 286.444 3.285 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137687845 803758702 /nfs/dbraw/zinc/75/87/02/803758702.db2.gz FWZGBFMPUOLWTG-GASCZTMLSA-N 2 1 286.444 3.285 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137687845 803758705 /nfs/dbraw/zinc/75/87/05/803758705.db2.gz FWZGBFMPUOLWTG-GASCZTMLSA-N 2 1 286.444 3.285 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137687845 803758707 /nfs/dbraw/zinc/75/87/07/803758707.db2.gz FWZGBFMPUOLWTG-GASCZTMLSA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC001138773047 804036108 /nfs/dbraw/zinc/03/61/08/804036108.db2.gz NGYHWSWLZFTSNZ-INIZCTEOSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[NH2+]1 ZINC001246070517 804108395 /nfs/dbraw/zinc/10/83/95/804108395.db2.gz CEAJIYUTNGVLFJ-HIFRSBDPSA-N 2 1 264.388 3.082 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246070533 804108454 /nfs/dbraw/zinc/10/84/54/804108454.db2.gz CJEWLESMHYKAGF-GJZGRUSLSA-N 2 1 276.424 3.094 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246073578 804112204 /nfs/dbraw/zinc/11/22/04/804112204.db2.gz HPGFTEOEEWWWJN-CABCVRRESA-N 2 1 282.378 3.221 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246076099 804113815 /nfs/dbraw/zinc/11/38/15/804113815.db2.gz WEZYRYKFLZBYEF-ZSHCYNCHSA-N 2 1 282.378 3.364 20 0 CGADMP CCn1ccc2ccc(C[N@@H+](C)CC3CC[NH+](C)CC3)cc21 ZINC001139121148 804131448 /nfs/dbraw/zinc/13/14/48/804131448.db2.gz AHCSDKPQFKFOQU-UHFFFAOYSA-N 2 1 299.462 3.435 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)cc1 ZINC001246101585 804135325 /nfs/dbraw/zinc/13/53/25/804135325.db2.gz ADJVCNHNSJCROV-VKJFTORMSA-N 2 1 274.452 3.158 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001139152967 804140714 /nfs/dbraw/zinc/14/07/14/804140714.db2.gz AHENQDWJZQBLFB-UHFFFAOYSA-N 2 1 299.462 3.435 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246117018 804149490 /nfs/dbraw/zinc/14/94/90/804149490.db2.gz YUGNVCMVRUXGKJ-ZNMIVQPWSA-N 2 1 258.425 3.273 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246137813 804162417 /nfs/dbraw/zinc/16/24/17/804162417.db2.gz XRBIPDZUAMECCH-XFBWCDHKSA-N 2 1 296.817 3.284 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246162351 804179703 /nfs/dbraw/zinc/17/97/03/804179703.db2.gz OYAOFDFFVZVPCB-UHFFFAOYSA-N 3 1 295.515 3.010 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246162351 804179711 /nfs/dbraw/zinc/17/97/11/804179711.db2.gz OYAOFDFFVZVPCB-UHFFFAOYSA-N 3 1 295.515 3.010 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246173590 804187779 /nfs/dbraw/zinc/18/77/79/804187779.db2.gz BGYGWUFHFCGLIB-HOTGVXAUSA-N 2 1 272.436 3.432 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246180369 804193644 /nfs/dbraw/zinc/19/36/44/804193644.db2.gz JDZJNNIIBFXRMB-GJZGRUSLSA-N 2 1 296.842 3.215 20 0 CGADMP CCCC[N@@H+](C)CCCNC1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246185921 804196918 /nfs/dbraw/zinc/19/69/18/804196918.db2.gz WQISWULLKODIIR-HZPDHXFCSA-N 3 1 283.504 3.007 20 0 CGADMP CCCC[N@H+](C)CCC[NH2+]C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246185921 804196921 /nfs/dbraw/zinc/19/69/21/804196921.db2.gz WQISWULLKODIIR-HZPDHXFCSA-N 3 1 283.504 3.007 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+]C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246185921 804196926 /nfs/dbraw/zinc/19/69/26/804196926.db2.gz WQISWULLKODIIR-HZPDHXFCSA-N 3 1 283.504 3.007 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246189615 804200165 /nfs/dbraw/zinc/20/01/65/804200165.db2.gz OKZPFRIAQDQTTA-ABAIWWIYSA-N 2 1 284.806 3.142 20 0 CGADMP [NH3+]C1(C[NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001246209353 804208555 /nfs/dbraw/zinc/20/85/55/804208555.db2.gz HDMYPLHJFZIMON-UHFFFAOYSA-N 2 1 278.827 3.447 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)C1 ZINC001246221859 804216508 /nfs/dbraw/zinc/21/65/08/804216508.db2.gz OTRXTXIGRGMFEK-GXTWGEPZSA-N 2 1 274.399 3.180 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(F)c2)CC[NH2+]1 ZINC001246225470 804218467 /nfs/dbraw/zinc/21/84/67/804218467.db2.gz MZSXQZPRWIGSKJ-LSDHHAIUSA-N 2 1 294.414 3.235 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246231276 804222926 /nfs/dbraw/zinc/22/29/26/804222926.db2.gz PAQZDWZNJGRJET-BFHYXJOUSA-N 2 1 276.415 3.426 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2cccnc2)cc1 ZINC001139640483 804240601 /nfs/dbraw/zinc/24/06/01/804240601.db2.gz UPWCLIHDAIXWFX-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2cccnc2)cc1 ZINC001139640483 804240606 /nfs/dbraw/zinc/24/06/06/804240606.db2.gz UPWCLIHDAIXWFX-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246265126 804246833 /nfs/dbraw/zinc/24/68/33/804246833.db2.gz IELKDWXGYQLFNC-DOTOQJQBSA-N 2 1 260.425 3.281 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+][C@H](c1ccccc1F)C1CCC1 ZINC001246284176 804258701 /nfs/dbraw/zinc/25/87/01/804258701.db2.gz ZNUYATFNXRXBQZ-LRDDRELGSA-N 2 1 264.388 3.255 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]C2(C[NH3+])CCCC2)cc1 ZINC001246285644 804261146 /nfs/dbraw/zinc/26/11/46/804261146.db2.gz IPDZAZWXAINWRZ-CQSZACIVSA-N 2 1 260.425 3.041 20 0 CGADMP CCC1CCC(C2CCC(N[C@@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299194 804265758 /nfs/dbraw/zinc/26/57/58/804265758.db2.gz GMFJXEKZHSTLAY-ARUCBAPRSA-N 3 1 295.515 3.375 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246299640 804266406 /nfs/dbraw/zinc/26/64/06/804266406.db2.gz IYNFEAQLJSXFJK-RISCZKNCSA-N 2 1 298.352 3.425 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246301472 804268378 /nfs/dbraw/zinc/26/83/78/804268378.db2.gz XQFIIPXXJBHNFT-ZFWWWQNUSA-N 2 1 280.481 3.066 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246327928 804284799 /nfs/dbraw/zinc/28/47/99/804284799.db2.gz VGANSJSPKUHJGM-BGTYHANMSA-N 2 1 272.436 3.443 20 0 CGADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246339012 804292432 /nfs/dbraw/zinc/29/24/32/804292432.db2.gz BRLFUOYNYDFFNT-AVGNSLFASA-N 2 1 280.378 3.475 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2Cl)CC[NH2+]1 ZINC001246342722 804295135 /nfs/dbraw/zinc/29/51/35/804295135.db2.gz JGYBUUJBLPINMZ-KGLIPLIRSA-N 2 1 266.816 3.269 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246347336 804298111 /nfs/dbraw/zinc/29/81/11/804298111.db2.gz TUNTYOAIAOVXSF-CABCVRRESA-N 2 1 280.843 3.160 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(F)c1 ZINC001246347378 804298230 /nfs/dbraw/zinc/29/82/30/804298230.db2.gz KIJMLDJAPPTMMF-BBRMVZONSA-N 2 1 294.414 3.091 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+][C@@H](COC)c2ccccc2)CC[NH2+]1 ZINC001246357106 804301112 /nfs/dbraw/zinc/30/11/12/804301112.db2.gz VZFSNIZWLPTVCI-KSZLIROESA-N 2 1 290.451 3.275 20 0 CGADMP [NH3+]CC1([NH2+]C2CCC(c3ccccc3)CC2)CCC1 ZINC001246357474 804304345 /nfs/dbraw/zinc/30/43/45/804304345.db2.gz VADIRGZHINZWLV-UHFFFAOYSA-N 2 1 258.409 3.184 20 0 CGADMP C[N@H+](Cc1ccccc1C1CC1)C1CC[NH+](C)CC1 ZINC001139879291 804307807 /nfs/dbraw/zinc/30/78/07/804307807.db2.gz IYUIXNGRWGPDLP-UHFFFAOYSA-N 2 1 258.409 3.090 20 0 CGADMP C[N@@H+](Cc1ccccc1C1CC1)C1CC[NH+](C)CC1 ZINC001139879291 804307816 /nfs/dbraw/zinc/30/78/16/804307816.db2.gz IYUIXNGRWGPDLP-UHFFFAOYSA-N 2 1 258.409 3.090 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(F)c4ccccc34)C[C@H]2C1 ZINC001139893851 804319497 /nfs/dbraw/zinc/31/94/97/804319497.db2.gz WWXBCIBXARHOFF-HZPDHXFCSA-N 2 1 298.405 3.362 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246402221 804321975 /nfs/dbraw/zinc/32/19/75/804321975.db2.gz KTLQGOSBCUOOEL-SZMVWBNQSA-N 3 1 295.515 3.137 20 0 CGADMP CCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411341 804324992 /nfs/dbraw/zinc/32/49/92/804324992.db2.gz CCZRQHGMEUUBKT-HUUCEWRRSA-N 2 1 270.461 3.092 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3F)CCC2)C[NH2+]1 ZINC001246433389 804331212 /nfs/dbraw/zinc/33/12/12/804331212.db2.gz JIQCANRUYMVBTP-UKRRQHHQSA-N 2 1 276.399 3.021 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC[NH2+]C(C)C ZINC001246452622 804336747 /nfs/dbraw/zinc/33/67/47/804336747.db2.gz KRLOZGSLUGDEAO-QGZVFWFLSA-N 2 1 262.441 3.231 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cc(F)cc(F)c1 ZINC001246460732 804341610 /nfs/dbraw/zinc/34/16/10/804341610.db2.gz HXQLMBWLSMNJIL-NZVBXONLSA-N 2 1 268.351 3.146 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246463017 804343326 /nfs/dbraw/zinc/34/33/26/804343326.db2.gz UMEBJUWNHZRGQI-KBXCAEBGSA-N 2 1 290.426 3.269 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)C[NH2+]1 ZINC001246488697 804357498 /nfs/dbraw/zinc/35/74/98/804357498.db2.gz IZZUHSQEPBDQEG-KBXIAJHMSA-N 2 1 252.446 3.321 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246498971 804362423 /nfs/dbraw/zinc/36/24/23/804362423.db2.gz VSCQLCDSVVSMCL-BDXSIMOUSA-N 3 1 295.515 3.137 20 0 CGADMP c1ccc2c(c1)CCC21CCC([NH2+][C@@H]2C[NH2+]C[C@H]3C[C@H]32)CC1 ZINC001246502259 804364308 /nfs/dbraw/zinc/36/43/08/804364308.db2.gz GUQFLWWZEIKYPN-VTOWRESLSA-N 2 1 296.458 3.011 20 0 CGADMP Clc1ccc([C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246514125 804369365 /nfs/dbraw/zinc/36/93/65/804369365.db2.gz HFPDVFSJAQXIEZ-CVEARBPZSA-N 2 1 278.827 3.175 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)C2CC2)C[NH2+]1 ZINC001246516270 804370101 /nfs/dbraw/zinc/37/01/01/804370101.db2.gz REPHIWMPOSUEQN-LYRGGWFBSA-N 2 1 278.827 3.174 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)C2CC2)C[NH2+]1 ZINC001246516274 804370320 /nfs/dbraw/zinc/37/03/20/804370320.db2.gz REPHIWMPOSUEQN-XFBWCDHKSA-N 2 1 278.827 3.174 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246521653 804376836 /nfs/dbraw/zinc/37/68/36/804376836.db2.gz PNPRKVKUUBZGLY-QZTJIDSGSA-N 2 1 272.436 3.431 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246546469 804395338 /nfs/dbraw/zinc/39/53/38/804395338.db2.gz MZPSXEOILMFJID-WFASDCNBSA-N 2 1 266.816 3.084 20 0 CGADMP C[NH2+]C1CCC([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC001246549009 804397519 /nfs/dbraw/zinc/39/75/19/804397519.db2.gz OXWGGRKEOVKIEL-JEYLPNPQSA-N 2 1 258.409 3.136 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001246550277 804401093 /nfs/dbraw/zinc/40/10/93/804401093.db2.gz JGBVQJNETXSHHC-RYQLBKOJSA-N 2 1 274.452 3.315 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246552048 804402704 /nfs/dbraw/zinc/40/27/04/804402704.db2.gz NPOXJQOZBOLMBZ-BBRMVZONSA-N 2 1 278.827 3.011 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246553400 804402744 /nfs/dbraw/zinc/40/27/44/804402744.db2.gz RMJYCMDFSZIAFX-WMLDXEAASA-N 2 1 292.854 3.401 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554158 804404168 /nfs/dbraw/zinc/40/41/68/804404168.db2.gz CSBXLLVQRIFFJE-XQQFMLRXSA-N 2 1 262.388 3.117 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001246556528 804406121 /nfs/dbraw/zinc/40/61/21/804406121.db2.gz HNRHVVSAWXKEAQ-YJBOKZPZSA-N 2 1 292.442 3.333 20 0 CGADMP CCC1CCC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246562641 804411276 /nfs/dbraw/zinc/41/12/76/804411276.db2.gz VWBLNDKKMHBZFF-YHNBSYBMSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C[C@@H](C)C1 ZINC001246566658 804413364 /nfs/dbraw/zinc/41/33/64/804413364.db2.gz JIWPTZVYAZUKOU-JKJDWNRSSA-N 2 1 252.446 3.118 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246567504 804415954 /nfs/dbraw/zinc/41/59/54/804415954.db2.gz LHAICGZQYGSWJP-IIAWOOMASA-N 2 1 278.415 3.064 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1F ZINC001246569342 804417778 /nfs/dbraw/zinc/41/77/78/804417778.db2.gz BZJGGCNFCMYKIV-RBSFLKMASA-N 2 1 268.420 3.121 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1F ZINC001246569342 804417783 /nfs/dbraw/zinc/41/77/83/804417783.db2.gz BZJGGCNFCMYKIV-RBSFLKMASA-N 2 1 268.420 3.121 20 0 CGADMP C1CC2(C[C@@H]1[N@@H+]1C[C@@H]3CCCC[C@@H]3C1)CC[NH2+]CC2 ZINC001246573582 804420539 /nfs/dbraw/zinc/42/05/39/804420539.db2.gz TVCWPQSMFYUGTA-OWCLPIDISA-N 2 1 262.441 3.031 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576410 804422386 /nfs/dbraw/zinc/42/23/86/804422386.db2.gz KDYTYEFIKKGUTL-FGTMMUONSA-N 2 1 290.426 3.476 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576410 804422389 /nfs/dbraw/zinc/42/23/89/804422389.db2.gz KDYTYEFIKKGUTL-FGTMMUONSA-N 2 1 290.426 3.476 20 0 CGADMP CC(C)[N@@H+]([C@@H]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]CC1 ZINC001246590614 804433214 /nfs/dbraw/zinc/43/32/14/804433214.db2.gz HJHRJGDMFRTWPB-OWCLPIDISA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[N@@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246593352 804435451 /nfs/dbraw/zinc/43/54/51/804435451.db2.gz MLIWREJFNAXJOE-FPCVCCKLSA-N 2 1 264.457 3.274 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246599050 804439084 /nfs/dbraw/zinc/43/90/84/804439084.db2.gz AFGQXSXLGPBOQE-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001246607280 804441531 /nfs/dbraw/zinc/44/15/31/804441531.db2.gz GJDSELYQLBZJML-AEFFLSMTSA-N 2 1 272.436 3.144 20 0 CGADMP CSCC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246609360 804443124 /nfs/dbraw/zinc/44/31/24/804443124.db2.gz MRJCSXJIRNWLOM-HOTGVXAUSA-N 2 1 284.513 3.374 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246610807 804445347 /nfs/dbraw/zinc/44/53/47/804445347.db2.gz NZYIRCSNJFBDAR-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP C1CSC[C@@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001246611648 804446360 /nfs/dbraw/zinc/44/63/60/804446360.db2.gz VBLUMFATGWFWKZ-JKSUJKDBSA-N 2 1 282.497 3.128 20 0 CGADMP C1CSC[C@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001246611636 804446827 /nfs/dbraw/zinc/44/68/27/804446827.db2.gz VBLUMFATGWFWKZ-CVEARBPZSA-N 2 1 282.497 3.128 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@]4(C3)CCC[NH2+]C4)C2)cc1 ZINC001246613875 804448086 /nfs/dbraw/zinc/44/80/86/804448086.db2.gz ZJEYLJGIXLHPLR-CEXWTWQISA-N 2 1 284.447 3.398 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246615125 804448404 /nfs/dbraw/zinc/44/84/04/804448404.db2.gz CRLWAMYKTGRQFP-DZGCQCFKSA-N 2 1 270.486 3.125 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614695 804449282 /nfs/dbraw/zinc/44/92/82/804449282.db2.gz PHUURWUVYXQQGQ-QGZVFWFLSA-N 2 1 296.499 3.437 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCC23CCCCC3)CC[NH2+]1 ZINC001246615212 804449748 /nfs/dbraw/zinc/44/97/48/804449748.db2.gz QVFFUARCFLLGFN-HUUCEWRRSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)C2 ZINC001246615571 804449991 /nfs/dbraw/zinc/44/99/91/804449991.db2.gz XAYNJECFHXNHBR-ICSRJNTNSA-N 2 1 298.474 3.318 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC23CCCCC3)CC[NH2+]1 ZINC001246615210 804450445 /nfs/dbraw/zinc/45/04/45/804450445.db2.gz QVFFUARCFLLGFN-GJZGRUSLSA-N 2 1 250.430 3.172 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246615691 804450457 /nfs/dbraw/zinc/45/04/57/804450457.db2.gz FKJYZYNEEQHJQV-IBGZPJMESA-N 2 1 284.447 3.152 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC23CCCCC3)CC[NH2+]1 ZINC001246615209 804450644 /nfs/dbraw/zinc/45/06/44/804450644.db2.gz QVFFUARCFLLGFN-CABCVRRESA-N 2 1 250.430 3.172 20 0 CGADMP C1C[NH2+][C@@]2(C1)CCC[N@H+](C1CCCCCCC1)C2 ZINC001246621520 804453642 /nfs/dbraw/zinc/45/36/42/804453642.db2.gz OXAFETVMIONDTA-INIZCTEOSA-N 2 1 250.430 3.317 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([NH+]3CC4(C3)CCC[NH2+]C4)C2)cc1 ZINC001246619922 804454128 /nfs/dbraw/zinc/45/41/28/804454128.db2.gz MSDMMMAQFLPATR-SJORKVTESA-N 2 1 270.420 3.008 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246625561 804457540 /nfs/dbraw/zinc/45/75/40/804457540.db2.gz WRCSQTQKCJRSLZ-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627364 804458423 /nfs/dbraw/zinc/45/84/23/804458423.db2.gz JGNYTIZAEUCLMC-ARFHVFGLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246627050 804459049 /nfs/dbraw/zinc/45/90/49/804459049.db2.gz WPHQOQLHFBTSNL-AWEZNQCLSA-N 2 1 292.854 3.489 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246627294 804459118 /nfs/dbraw/zinc/45/91/18/804459118.db2.gz IYAUAUKODYEHLY-QRVBRYPASA-N 2 1 284.447 3.398 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631611 804462131 /nfs/dbraw/zinc/46/21/31/804462131.db2.gz RJHYUKHSCJMXFC-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632275 804462588 /nfs/dbraw/zinc/46/25/88/804462588.db2.gz WMILCPURZQSEAH-OALUTQOASA-N 2 1 286.463 3.473 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634710 804463914 /nfs/dbraw/zinc/46/39/14/804463914.db2.gz HAFNXHPAWYSYGG-GOSISDBHSA-N 2 1 296.499 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C[C@@H](C)C1 ZINC001246634768 804464021 /nfs/dbraw/zinc/46/40/21/804464021.db2.gz PGIXLPPVZPRIDS-HZMVEIRTSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C[C@@H](C)C1 ZINC001246634768 804464023 /nfs/dbraw/zinc/46/40/23/804464023.db2.gz PGIXLPPVZPRIDS-HZMVEIRTSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246633060 804464151 /nfs/dbraw/zinc/46/41/51/804464151.db2.gz JEWOWCHNVYRROY-FGTMMUONSA-N 2 1 272.436 3.224 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246633060 804464156 /nfs/dbraw/zinc/46/41/56/804464156.db2.gz JEWOWCHNVYRROY-FGTMMUONSA-N 2 1 272.436 3.224 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634040 804464266 /nfs/dbraw/zinc/46/42/66/804464266.db2.gz GUBOJCTVXRJUHH-ROUUACIJSA-N 2 1 296.499 3.437 20 0 CGADMP CCCCC(CCCC)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246633905 804464471 /nfs/dbraw/zinc/46/44/71/804464471.db2.gz FCYNGOFZGHQGFD-SFHVURJKSA-N 2 1 296.499 3.437 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246634885 804465942 /nfs/dbraw/zinc/46/59/42/804465942.db2.gz PKYMHVCGMKBNDJ-OWCLPIDISA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C[C@@H](C)C1 ZINC001246634771 804466056 /nfs/dbraw/zinc/46/60/56/804466056.db2.gz PGIXLPPVZPRIDS-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C[C@@H](C)C1 ZINC001246634771 804466058 /nfs/dbraw/zinc/46/60/58/804466058.db2.gz PGIXLPPVZPRIDS-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)C[C@@H]1C ZINC001246634824 804466081 /nfs/dbraw/zinc/46/60/81/804466081.db2.gz AXRPOINIUVSKIH-QPSCCSFWSA-N 2 1 286.410 3.132 20 0 CGADMP C1C[C@@]2(CC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)[NH2+]1 ZINC001246638449 804467380 /nfs/dbraw/zinc/46/73/80/804467380.db2.gz SFLHXXXSUMJFRY-WBVHZDCISA-N 2 1 262.441 3.317 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246638511 804467976 /nfs/dbraw/zinc/46/79/76/804467976.db2.gz SSLJPRQLMDOFCG-DQPZFDDXSA-N 2 1 264.457 3.419 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246638511 804467978 /nfs/dbraw/zinc/46/79/78/804467978.db2.gz SSLJPRQLMDOFCG-DQPZFDDXSA-N 2 1 264.457 3.419 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246642527 804470448 /nfs/dbraw/zinc/47/04/48/804470448.db2.gz WSPBHNKEYCZZQA-QZTJIDSGSA-N 2 1 296.499 3.437 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC13CC[NH2+]CC3)C2 ZINC001246646935 804473316 /nfs/dbraw/zinc/47/33/16/804473316.db2.gz RBZCFYXWHICXMM-QGZVFWFLSA-N 2 1 284.447 3.070 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647658 804475500 /nfs/dbraw/zinc/47/55/00/804475500.db2.gz MIKDJHAHRIFYKY-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246652022 804479348 /nfs/dbraw/zinc/47/93/48/804479348.db2.gz NTNCVYKDRJVUDY-QUCCMNQESA-N 2 1 298.474 3.460 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661405 804483352 /nfs/dbraw/zinc/48/33/52/804483352.db2.gz WVDJCPVWBIECKP-JJXSEGSLSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661405 804483355 /nfs/dbraw/zinc/48/33/55/804483355.db2.gz WVDJCPVWBIECKP-JJXSEGSLSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246660630 804483464 /nfs/dbraw/zinc/48/34/64/804483464.db2.gz DXJUGLKERGKESP-KURKYZTESA-N 2 1 272.436 3.224 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246660630 804483468 /nfs/dbraw/zinc/48/34/68/804483468.db2.gz DXJUGLKERGKESP-KURKYZTESA-N 2 1 272.436 3.224 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CCC2(CCCCC2)CC1 ZINC001246660864 804483742 /nfs/dbraw/zinc/48/37/42/804483742.db2.gz PITLRYLQGDBHGV-BPUTZDHNSA-N 2 1 262.441 3.301 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CC[C@@H]3CCC[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246659251 804484106 /nfs/dbraw/zinc/48/41/06/804484106.db2.gz WQBPAYNDYHBCIF-CAOSSQGBSA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1CC([N@H+]2CC[C@@H]3CCC[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246659251 804484111 /nfs/dbraw/zinc/48/41/11/804484111.db2.gz WQBPAYNDYHBCIF-CAOSSQGBSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246662476 804485317 /nfs/dbraw/zinc/48/53/17/804485317.db2.gz HNHSBLPNASUHJE-CEXWTWQISA-N 2 1 286.463 3.457 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246664914 804486464 /nfs/dbraw/zinc/48/64/64/804486464.db2.gz YNRABVBVANMBQN-KZNAEPCWSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246669959 804488244 /nfs/dbraw/zinc/48/82/44/804488244.db2.gz DCNZOUCQYADLNF-PYXOFJJQSA-N 2 1 296.458 3.107 20 0 CGADMP CCC(CC)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246674634 804490716 /nfs/dbraw/zinc/49/07/16/804490716.db2.gz VIZMXXBMWPCYET-HKUYNNGSSA-N 2 1 286.463 3.428 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246678456 804492824 /nfs/dbraw/zinc/49/28/24/804492824.db2.gz FFZSSEDXXFXCAB-WBVHZDCISA-N 2 1 258.409 3.274 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246680780 804493968 /nfs/dbraw/zinc/49/39/68/804493968.db2.gz LFNOGNJVSJIVHA-INMHGKMJSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246680782 804494254 /nfs/dbraw/zinc/49/42/54/804494254.db2.gz LFNOGNJVSJIVHA-VYDXJSESSA-N 2 1 258.409 3.272 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246686795 804496226 /nfs/dbraw/zinc/49/62/26/804496226.db2.gz SZWPVHWFQUCTRD-JQHSSLGASA-N 2 1 272.436 3.254 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001246693738 804499610 /nfs/dbraw/zinc/49/96/10/804499610.db2.gz QKVWOOPUJJQJIY-GQGLESIBSA-N 2 1 282.447 3.369 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2)CC[NH2+]1 ZINC001246767284 804500899 /nfs/dbraw/zinc/50/08/99/804500899.db2.gz BHYNCUVRDGZMNI-IAGOWNOFSA-N 2 1 290.451 3.438 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC001246749728 804501015 /nfs/dbraw/zinc/50/10/15/804501015.db2.gz SUHKLKZJXHYSGJ-QGZVFWFLSA-N 2 1 284.447 3.027 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246767844 804501292 /nfs/dbraw/zinc/50/12/92/804501292.db2.gz CKXJLBNYQXKFMR-MSOLQXFVSA-N 2 1 272.436 3.349 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC001246769119 804502128 /nfs/dbraw/zinc/50/21/28/804502128.db2.gz IGXNGUIJQVQKHD-KRWDZBQOSA-N 2 1 260.425 3.431 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001246774424 804505173 /nfs/dbraw/zinc/50/51/73/804505173.db2.gz FEGMZTIFYNVJHY-LMDPOFIKSA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[N@@H+](CCC)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246773386 804505405 /nfs/dbraw/zinc/50/54/05/804505405.db2.gz CAUJOPVGZGNXDB-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC001246777683 804505859 /nfs/dbraw/zinc/50/58/59/804505859.db2.gz RYHPUKVHQYDNTD-DLBZAZTESA-N 2 1 260.425 3.082 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246782593 804507845 /nfs/dbraw/zinc/50/78/45/804507845.db2.gz SZUCMZHVKVOGGZ-OIISXLGYSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246782593 804507851 /nfs/dbraw/zinc/50/78/51/804507851.db2.gz SZUCMZHVKVOGGZ-OIISXLGYSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CC[NH2+]1 ZINC001246781591 804508073 /nfs/dbraw/zinc/50/80/73/804508073.db2.gz HNDCGGGABBHUDP-BWAJOPIQSA-N 2 1 262.441 3.028 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246780715 804508139 /nfs/dbraw/zinc/50/81/39/804508139.db2.gz WGKDSFDAOKKKPA-PIIMJCKOSA-N 2 1 280.415 3.270 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CCCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246791561 804514750 /nfs/dbraw/zinc/51/47/50/804514750.db2.gz LJIQGKIFXJLMIR-SJORKVTESA-N 2 1 270.420 3.008 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCCC3(C[NH2+]C3)C2)CC1 ZINC001246791925 804516378 /nfs/dbraw/zinc/51/63/78/804516378.db2.gz NHVULKBRDIGAHH-UHFFFAOYSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246793331 804516925 /nfs/dbraw/zinc/51/69/25/804516925.db2.gz CQENQMXKSDEUPF-UHFFFAOYSA-N 2 1 278.827 3.304 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246794749 804517108 /nfs/dbraw/zinc/51/71/08/804517108.db2.gz GXZLKHHIZKOOLO-QGZVFWFLSA-N 2 1 292.854 3.129 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001140803238 804520937 /nfs/dbraw/zinc/52/09/37/804520937.db2.gz MDDUDSVFBCJMLH-KRWDZBQOSA-N 2 1 278.359 3.295 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001140803238 804520941 /nfs/dbraw/zinc/52/09/41/804520941.db2.gz MDDUDSVFBCJMLH-KRWDZBQOSA-N 2 1 278.359 3.295 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC001246803388 804523081 /nfs/dbraw/zinc/52/30/81/804523081.db2.gz JTGCZKAXGIAVPR-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(c2cccnc2)CC1 ZINC001140804908 804524055 /nfs/dbraw/zinc/52/40/55/804524055.db2.gz JXZKJBVVXWZMEI-UHFFFAOYSA-N 2 1 292.386 3.338 20 0 CGADMP C[NH2+]C1CC[NH+]([C@H](C)CSc2ccc(C)cc2)CC1 ZINC001246808428 804525870 /nfs/dbraw/zinc/52/58/70/804525870.db2.gz XBPITKZRZZVPPL-CQSZACIVSA-N 2 1 278.465 3.159 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC001246808784 804527575 /nfs/dbraw/zinc/52/75/75/804527575.db2.gz DEINGAZSNXWNBF-FXQLRMTLSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)C[C@H]2C)CC[NH2+]1 ZINC001246811109 804528933 /nfs/dbraw/zinc/52/89/33/804528933.db2.gz SEJFUKXZQHQHBM-KLHDSHLOSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246814458 804529667 /nfs/dbraw/zinc/52/96/67/804529667.db2.gz PJIRQJSLLIJRTD-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246814717 804530068 /nfs/dbraw/zinc/53/00/68/804530068.db2.gz RIZPLVFYRXJOGJ-ROUUACIJSA-N 2 1 274.452 3.185 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246814933 804531410 /nfs/dbraw/zinc/53/14/10/804531410.db2.gz AJIXMUOKGISMMA-UHFFFAOYSA-N 2 1 288.410 3.454 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246814877 804531431 /nfs/dbraw/zinc/53/14/31/804531431.db2.gz SYQSHKCEPFXFIX-FVQHAEBGSA-N 2 1 292.854 3.487 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246824703 804537499 /nfs/dbraw/zinc/53/74/99/804537499.db2.gz RFFSHYXLBGMOKA-ZSHCYNCHSA-N 2 1 292.854 3.487 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828123 804539033 /nfs/dbraw/zinc/53/90/33/804539033.db2.gz XMBSRPNCFSLDQW-QNWHQSFQSA-N 2 1 280.378 3.413 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246828123 804539038 /nfs/dbraw/zinc/53/90/38/804539038.db2.gz XMBSRPNCFSLDQW-QNWHQSFQSA-N 2 1 280.378 3.413 20 0 CGADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001246840283 804548926 /nfs/dbraw/zinc/54/89/26/804548926.db2.gz WBDRTEKZBPNJFH-OWSLCNJRSA-N 2 1 276.468 3.421 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246841101 804549600 /nfs/dbraw/zinc/54/96/00/804549600.db2.gz SXGUWJCDQSYTDC-BJWYYQGGSA-N 2 1 276.399 3.321 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246841137 804550193 /nfs/dbraw/zinc/55/01/93/804550193.db2.gz TXWASROWEYWFBH-HNNXBMFYSA-N 2 1 264.388 3.178 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246840791 804550619 /nfs/dbraw/zinc/55/06/19/804550619.db2.gz QABRKUCNWIQXIA-FOLVSLTJSA-N 2 1 278.827 3.160 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246840792 804550795 /nfs/dbraw/zinc/55/07/95/804550795.db2.gz QABRKUCNWIQXIA-MIFYACCESA-N 2 1 278.827 3.160 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246843675 804552737 /nfs/dbraw/zinc/55/27/37/804552737.db2.gz VQCQOMONOVHGTI-MIFYACCESA-N 2 1 252.446 3.116 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246844633 804554134 /nfs/dbraw/zinc/55/41/34/804554134.db2.gz ZTJNUXHEACYEFP-SUMWQHHRSA-N 2 1 292.854 3.129 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246848812 804558692 /nfs/dbraw/zinc/55/86/92/804558692.db2.gz OILUNXLMEFVVJJ-OWCLPIDISA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)C1CCC([NH2+]C)CC1 ZINC001246858115 804563323 /nfs/dbraw/zinc/56/33/23/804563323.db2.gz BIAIDLNECAQIHV-UHFFFAOYSA-N 2 1 264.388 3.178 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CSc2ccc(C)cc2)C1 ZINC001246860927 804565376 /nfs/dbraw/zinc/56/53/76/804565376.db2.gz CEKLHTJOWKTIEQ-LSDHHAIUSA-N 2 1 278.465 3.017 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246863780 804567713 /nfs/dbraw/zinc/56/77/13/804567713.db2.gz NDUMLVCSOJBANV-HOTGVXAUSA-N 2 1 264.388 3.178 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867038 804569253 /nfs/dbraw/zinc/56/92/53/804569253.db2.gz MZKJZGJBNYPYDM-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001246865380 804569673 /nfs/dbraw/zinc/56/96/73/804569673.db2.gz UFYIDYKNISRRSD-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246869118 804571162 /nfs/dbraw/zinc/57/11/62/804571162.db2.gz TYUQUCUMTIVTRX-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246870059 804571703 /nfs/dbraw/zinc/57/17/03/804571703.db2.gz YHXQGALQECVKBT-WBVHZDCISA-N 2 1 258.409 3.138 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246870059 804571708 /nfs/dbraw/zinc/57/17/08/804571708.db2.gz YHXQGALQECVKBT-WBVHZDCISA-N 2 1 258.409 3.138 20 0 CGADMP CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246876152 804575361 /nfs/dbraw/zinc/57/53/61/804575361.db2.gz AWJKWSWFTIEKDX-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@H+](Cc2ccco2)C2CC2)CC[NH2+]1 ZINC001246879700 804576291 /nfs/dbraw/zinc/57/62/91/804576291.db2.gz CJEDYBGTJKBNDP-GDBMZVCRSA-N 2 1 276.424 3.411 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([N@@H+](Cc2ccco2)C2CC2)CC[NH2+]1 ZINC001246879700 804576294 /nfs/dbraw/zinc/57/62/94/804576294.db2.gz CJEDYBGTJKBNDP-GDBMZVCRSA-N 2 1 276.424 3.411 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246899350 804586132 /nfs/dbraw/zinc/58/61/32/804586132.db2.gz DPTRBLJHGDZXNF-RDTXWAMCSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246899350 804586139 /nfs/dbraw/zinc/58/61/39/804586139.db2.gz DPTRBLJHGDZXNF-RDTXWAMCSA-N 2 1 283.419 3.447 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CCC3(C[NH2+]C3)CC2)cc1C ZINC001246906651 804591673 /nfs/dbraw/zinc/59/16/73/804591673.db2.gz FLUQYXFRIJHOLT-UHFFFAOYSA-N 2 1 272.436 3.267 20 0 CGADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246911518 804594766 /nfs/dbraw/zinc/59/47/66/804594766.db2.gz PQZRWHXKMIPRGQ-BRWVUGGUSA-N 2 1 292.854 3.399 20 0 CGADMP CCSC[C@@H](C)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246911789 804595353 /nfs/dbraw/zinc/59/53/53/804595353.db2.gz CIZBZXRMOYUDFI-OAHLLOKOSA-N 2 1 292.492 3.382 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932001 804606587 /nfs/dbraw/zinc/60/65/87/804606587.db2.gz OKOGAQMDTMXULN-RQJABVFESA-N 2 1 290.373 3.039 20 0 CGADMP CC[C@@H](C)[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246934442 804607470 /nfs/dbraw/zinc/60/74/70/804607470.db2.gz FEHSUQMHIRMICC-CYBMUJFWSA-N 2 1 264.388 3.178 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246943745 804611875 /nfs/dbraw/zinc/61/18/75/804611875.db2.gz SOAQEZONCBZBLL-CXAGYDPISA-N 2 1 292.854 3.129 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001246947299 804614456 /nfs/dbraw/zinc/61/44/56/804614456.db2.gz UOJSHKZWSLEWFX-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(Cl)c(C)c3)C[C@H]2C1 ZINC001141237416 804621091 /nfs/dbraw/zinc/62/10/91/804621091.db2.gz SPRULPBENXHGAW-IYBDPMFKSA-N 2 1 292.854 3.422 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001246967834 804621286 /nfs/dbraw/zinc/62/12/86/804621286.db2.gz ONKKPQBNWVUIDD-QZTJIDSGSA-N 2 1 274.452 3.459 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246977225 804623637 /nfs/dbraw/zinc/62/36/37/804623637.db2.gz SAUONMYGJBBROP-BSDSXHPESA-N 2 1 272.436 3.067 20 0 CGADMP C[C@H]1CCC[C@@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)C1 ZINC001246979249 804626175 /nfs/dbraw/zinc/62/61/75/804626175.db2.gz XZQIKDPPBVPHPN-XJKSGUPXSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246988444 804630479 /nfs/dbraw/zinc/63/04/79/804630479.db2.gz PDZAYGYDDXZDET-QQFBHYJXSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247013068 804641989 /nfs/dbraw/zinc/64/19/89/804641989.db2.gz FKEMLENBEMZSIF-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001143253281 804829091 /nfs/dbraw/zinc/82/90/91/804829091.db2.gz OZVMOWUNELUTBP-HZPDHXFCSA-N 2 1 294.389 3.398 20 0 CGADMP Cc1c(O)cccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001144116356 804938501 /nfs/dbraw/zinc/93/85/01/804938501.db2.gz LFGODYFIWRXUNL-UHFFFAOYSA-N 2 1 290.451 3.253 20 0 CGADMP CCc1cc(Nc2cc[nH+]cc2C(F)(F)F)cc[nH+]1 ZINC001249585944 805182199 /nfs/dbraw/zinc/18/21/99/805182199.db2.gz HGYWORIURIXKOQ-UHFFFAOYSA-N 2 1 267.254 3.223 20 0 CGADMP C[C@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC1(F)F ZINC001256855568 806992607 /nfs/dbraw/zinc/99/26/07/806992607.db2.gz PEGUDWOAWYXHSD-ZDUSSCGKSA-N 2 1 295.377 3.028 20 0 CGADMP c1cc(N2CCC([N@H+]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC001256856335 806992817 /nfs/dbraw/zinc/99/28/17/806992817.db2.gz FQZJVJHIDMJGRT-JKSUJKDBSA-N 2 1 285.435 3.172 20 0 CGADMP FC1(F)CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256855770 806993066 /nfs/dbraw/zinc/99/30/66/806993066.db2.gz VMDIHBKDANWEDC-UHFFFAOYSA-N 2 1 295.377 3.172 20 0 CGADMP C1[C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C12CCCC2 ZINC001256908869 807006299 /nfs/dbraw/zinc/00/62/99/807006299.db2.gz QVORQJZZBQILMU-GDBMZVCRSA-N 2 1 262.441 3.316 20 0 CGADMP C1[C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C12CCCC2 ZINC001256908869 807006304 /nfs/dbraw/zinc/00/63/04/807006304.db2.gz QVORQJZZBQILMU-GDBMZVCRSA-N 2 1 262.441 3.316 20 0 CGADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCN(C(C)C)CC2)CC1 ZINC001257213735 807063626 /nfs/dbraw/zinc/06/36/26/807063626.db2.gz UIVVXSCHDNRWLD-SAABIXHNSA-N 2 1 295.515 3.102 20 0 CGADMP CC(C)[NH+]1CCC(CNc2[nH+]ccc3cc[nH]c32)CC1 ZINC001166622896 807072014 /nfs/dbraw/zinc/07/20/14/807072014.db2.gz KHLQXWXPMZVCEK-UHFFFAOYSA-N 2 1 272.396 3.095 20 0 CGADMP CC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2Cl)CC1 ZINC001257436076 807154696 /nfs/dbraw/zinc/15/46/96/807154696.db2.gz PXNYMKWTQWRGCT-LBPRGKRZSA-N 2 1 266.816 3.388 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001257486568 807181086 /nfs/dbraw/zinc/18/10/86/807181086.db2.gz YAFPLECJSAIJNI-HUUCEWRRSA-N 2 1 263.429 3.346 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001257486568 807181088 /nfs/dbraw/zinc/18/10/88/807181088.db2.gz YAFPLECJSAIJNI-HUUCEWRRSA-N 2 1 263.429 3.346 20 0 CGADMP CCCCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001257514348 807189131 /nfs/dbraw/zinc/18/91/31/807189131.db2.gz CUDFSPHEHVIJSZ-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001167824744 807256176 /nfs/dbraw/zinc/25/61/76/807256176.db2.gz GESCLSLMHRMPMO-UONOGXRCSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OC ZINC001167828005 807257699 /nfs/dbraw/zinc/25/76/99/807257699.db2.gz VISRWHXLVZOQFL-BDXSIMOUSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1c1ncccn1 ZINC001167835231 807258421 /nfs/dbraw/zinc/25/84/21/807258421.db2.gz PIPNSXFKVPOFNE-HOTGVXAUSA-N 2 1 290.455 3.124 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001167834917 807258957 /nfs/dbraw/zinc/25/89/57/807258957.db2.gz NUSBFFUXXPDFIV-KRWDZBQOSA-N 2 1 297.531 3.302 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccccn1 ZINC001258003651 807262470 /nfs/dbraw/zinc/26/24/70/807262470.db2.gz PYRCSYIASAYPOM-INIZCTEOSA-N 2 1 275.440 3.243 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167952813 807283067 /nfs/dbraw/zinc/28/30/67/807283067.db2.gz QOFXEUBEMCBIDI-QEOTZNIISA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167952813 807283071 /nfs/dbraw/zinc/28/30/71/807283071.db2.gz QOFXEUBEMCBIDI-QEOTZNIISA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167952813 807283076 /nfs/dbraw/zinc/28/30/76/807283076.db2.gz QOFXEUBEMCBIDI-QEOTZNIISA-N 2 1 262.441 3.124 20 0 CGADMP FC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167960498 807285733 /nfs/dbraw/zinc/28/57/33/807285733.db2.gz ZMEPXZMBFGCCFV-QLQQRZLESA-N 2 1 280.431 3.262 20 0 CGADMP CC1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167959576 807286343 /nfs/dbraw/zinc/28/63/43/807286343.db2.gz RAKFOWVGCQMAAN-CQVKHZRASA-N 2 1 262.441 3.028 20 0 CGADMP CC(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959560 807287060 /nfs/dbraw/zinc/28/70/60/807287060.db2.gz QVSJXPMPEUKKPT-WWTUQBGBSA-N 2 1 250.430 3.026 20 0 CGADMP F[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961938 807288896 /nfs/dbraw/zinc/28/88/96/807288896.db2.gz QROZVOAMSHBECW-UCHQMPSGSA-N 2 1 280.431 3.120 20 0 CGADMP C[C@@]1(F)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1F ZINC001167985128 807291449 /nfs/dbraw/zinc/29/14/49/807291449.db2.gz VYWKCUFJWXWGDV-BFZKSOEOSA-N 2 1 298.421 3.164 20 0 CGADMP C[N@H+](CC1CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140828 807320571 /nfs/dbraw/zinc/32/05/71/807320571.db2.gz KHGVLJVDKUZNAW-UHFFFAOYSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@@H+](CC1CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140828 807320579 /nfs/dbraw/zinc/32/05/79/807320579.db2.gz KHGVLJVDKUZNAW-UHFFFAOYSA-N 2 1 272.436 3.035 20 0 CGADMP CC1CCC([NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001168222115 807355202 /nfs/dbraw/zinc/35/52/02/807355202.db2.gz XXOPQAFTYLUHES-UHFFFAOYSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC001168324232 807383805 /nfs/dbraw/zinc/38/38/05/807383805.db2.gz LHLXDINSMLADIU-GTPINHCMSA-N 2 1 287.451 3.134 20 0 CGADMP Cc1cccc(CC[N@H+](C)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168393139 807402574 /nfs/dbraw/zinc/40/25/74/807402574.db2.gz XDEUTZVGWNTBJB-UHFFFAOYSA-N 2 1 286.463 3.344 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168436916 807414407 /nfs/dbraw/zinc/41/44/07/807414407.db2.gz GSYDUTBJSXTHJJ-SFHVURJKSA-N 2 1 290.426 3.101 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)CC(C)(C)SC)CC1 ZINC001258342373 807418449 /nfs/dbraw/zinc/41/84/49/807418449.db2.gz WEVAIVZBDORBLH-CYBMUJFWSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)CC(C)(C)SC)CC1 ZINC001258342373 807418454 /nfs/dbraw/zinc/41/84/54/807418454.db2.gz WEVAIVZBDORBLH-CYBMUJFWSA-N 2 1 272.502 3.323 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258435473 807449093 /nfs/dbraw/zinc/44/90/93/807449093.db2.gz VYNPMJIPTYWTLX-BZUAXINKSA-N 2 1 282.472 3.316 20 0 CGADMP C[C@H](CC1CC1)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258461874 807465503 /nfs/dbraw/zinc/46/55/03/807465503.db2.gz QCSAVEWMOQIPFE-KBMXLJTQSA-N 2 1 290.476 3.300 20 0 CGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258598729 807498331 /nfs/dbraw/zinc/49/83/31/807498331.db2.gz KQBOMKBNWVDQBG-CQSZACIVSA-N 3 1 283.504 3.040 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258674213 807539163 /nfs/dbraw/zinc/53/91/63/807539163.db2.gz SGZXMARDZWLGNN-OAHLLOKOSA-N 2 1 263.429 3.490 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258674213 807539169 /nfs/dbraw/zinc/53/91/69/807539169.db2.gz SGZXMARDZWLGNN-OAHLLOKOSA-N 2 1 263.429 3.490 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(C)(C)CC1)C2 ZINC001169108648 807578996 /nfs/dbraw/zinc/57/89/96/807578996.db2.gz UNHIAEMNWPCAGG-QKDCVEJESA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101551 807579192 /nfs/dbraw/zinc/57/91/92/807579192.db2.gz UFIKJFKVXWAGGZ-DFGXFYAUSA-N 2 1 270.420 3.197 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1OC ZINC001169108628 807579358 /nfs/dbraw/zinc/57/93/58/807579358.db2.gz UERCZFWDJUZPET-MPTYRVRUSA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1OC ZINC001169108628 807579361 /nfs/dbraw/zinc/57/93/61/807579361.db2.gz UERCZFWDJUZPET-MPTYRVRUSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3)CCC1)C2 ZINC001169110509 807580475 /nfs/dbraw/zinc/58/04/75/807580475.db2.gz LXMKWPQQXLKGSH-BJWYYQGGSA-N 2 1 288.410 3.420 20 0 CGADMP CC[N@H+](C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123044 807582581 /nfs/dbraw/zinc/58/25/81/807582581.db2.gz IDJQUEHWTLMACV-MUJYYYPQSA-N 2 1 250.430 3.266 20 0 CGADMP CC[N@@H+](C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123044 807582586 /nfs/dbraw/zinc/58/25/86/807582586.db2.gz IDJQUEHWTLMACV-MUJYYYPQSA-N 2 1 250.430 3.266 20 0 CGADMP CC[NH+](C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123044 807582595 /nfs/dbraw/zinc/58/25/95/807582595.db2.gz IDJQUEHWTLMACV-MUJYYYPQSA-N 2 1 250.430 3.266 20 0 CGADMP CC[NH+](C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123044 807582600 /nfs/dbraw/zinc/58/26/00/807582600.db2.gz IDJQUEHWTLMACV-MUJYYYPQSA-N 2 1 250.430 3.266 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001169118612 807583019 /nfs/dbraw/zinc/58/30/19/807583019.db2.gz LVWULVGIKRPBMA-OSYLJGHBSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH3+])c1cn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169123678 807585666 /nfs/dbraw/zinc/58/56/66/807585666.db2.gz MBGFVXVXSVAYJT-BYNSBNAKSA-N 2 1 283.419 3.459 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccc(F)cc3)C1)C2 ZINC001169143463 807590784 /nfs/dbraw/zinc/59/07/84/807590784.db2.gz FPNAIHVUOXFRLU-DZJNRPSUSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3ccc(F)cc3)C1)C2 ZINC001169143463 807590789 /nfs/dbraw/zinc/59/07/89/807590789.db2.gz FPNAIHVUOXFRLU-DZJNRPSUSA-N 2 1 288.410 3.240 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3ccc(F)cc3)C1)C2 ZINC001169143463 807590794 /nfs/dbraw/zinc/59/07/94/807590794.db2.gz FPNAIHVUOXFRLU-DZJNRPSUSA-N 2 1 288.410 3.240 20 0 CGADMP COc1ccccc1[C@H](C)[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147015 807592147 /nfs/dbraw/zinc/59/21/47/807592147.db2.gz REVOPDFTJIGJIF-JONQDZQNSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147015 807592153 /nfs/dbraw/zinc/59/21/53/807592153.db2.gz REVOPDFTJIGJIF-JONQDZQNSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147015 807592156 /nfs/dbraw/zinc/59/21/56/807592156.db2.gz REVOPDFTJIGJIF-JONQDZQNSA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147015 807592162 /nfs/dbraw/zinc/59/21/62/807592162.db2.gz REVOPDFTJIGJIF-JONQDZQNSA-N 2 1 288.435 3.313 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCCCCCC1)C2 ZINC001169154237 807596829 /nfs/dbraw/zinc/59/68/29/807596829.db2.gz OVIDVVLMMBUHDU-ZSHCYNCHSA-N 2 1 250.430 3.268 20 0 CGADMP CCCC[C@H](CCC)[NH2+][C@@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001258757267 807596769 /nfs/dbraw/zinc/59/67/69/807596769.db2.gz LGQYXESFDGEODN-LVQVYYBASA-N 2 1 252.446 3.418 20 0 CGADMP CCC[NH+]1CCC([NH2+]C(C)(C)c2ccccc2OC)CC1 ZINC001258769786 807604089 /nfs/dbraw/zinc/60/40/89/807604089.db2.gz ITUIDEFPWSHPRZ-UHFFFAOYSA-N 2 1 290.451 3.394 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(C)ccc32)CC1 ZINC001169229583 807610028 /nfs/dbraw/zinc/61/00/28/807610028.db2.gz CGZOQITZUHDANE-QGZVFWFLSA-N 2 1 258.409 3.056 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001258786067 807611804 /nfs/dbraw/zinc/61/18/04/807611804.db2.gz YRVJCBDTGYPFEY-CQJMVSDSSA-N 2 1 252.446 3.274 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2OC)C2CC2)CC1 ZINC001169240787 807612589 /nfs/dbraw/zinc/61/25/89/807612589.db2.gz DJBWZEXPXGWXHD-SFHVURJKSA-N 2 1 288.435 3.220 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC001169268610 807619606 /nfs/dbraw/zinc/61/96/06/807619606.db2.gz MTIZEIKWVBCCNY-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001169268610 807619608 /nfs/dbraw/zinc/61/96/08/807619608.db2.gz MTIZEIKWVBCCNY-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258800208 807621406 /nfs/dbraw/zinc/62/14/06/807621406.db2.gz MFMOTYWUTWRABT-CABCVRRESA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001258812505 807631172 /nfs/dbraw/zinc/63/11/72/807631172.db2.gz FMZYHHKMZWZLOX-XIRDDKMYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001258812505 807631179 /nfs/dbraw/zinc/63/11/79/807631179.db2.gz FMZYHHKMZWZLOX-XIRDDKMYSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258835786 807649300 /nfs/dbraw/zinc/64/93/00/807649300.db2.gz BHZMYQNLPPJVKF-NVXWUHKLSA-N 2 1 266.473 3.331 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258839122 807652642 /nfs/dbraw/zinc/65/26/42/807652642.db2.gz QVUKIFQLVANTAI-IAGOWNOFSA-N 2 1 260.425 3.082 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cc(O)ccc2C1 ZINC001258910763 807673967 /nfs/dbraw/zinc/67/39/67/807673967.db2.gz UQXCVYDORUUDHT-OAHLLOKOSA-N 2 1 290.451 3.261 20 0 CGADMP CC(C)CCC[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001170089711 807754245 /nfs/dbraw/zinc/75/42/45/807754245.db2.gz BAMDNQVMGYFPNE-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C1 ZINC001170141104 807774042 /nfs/dbraw/zinc/77/40/42/807774042.db2.gz YJEOMLYOCUFXPZ-OAGGEKHMSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)n1cc[nH+]c1CCC[NH3+] ZINC001170266401 807808786 /nfs/dbraw/zinc/80/87/86/807808786.db2.gz NXRGMYYQWZNCKG-LBPRGKRZSA-N 2 1 277.799 3.232 20 0 CGADMP c1ccc2c(c1)CCC[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001170342223 807827867 /nfs/dbraw/zinc/82/78/67/807827867.db2.gz JHWRAAMJVPOJEZ-UHFFFAOYSA-N 2 1 286.463 3.353 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001262374313 807860289 /nfs/dbraw/zinc/86/02/89/807860289.db2.gz ANFWADDMRMDYKY-UHFFFAOYSA-N 2 1 290.426 3.319 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170714851 807882767 /nfs/dbraw/zinc/88/27/67/807882767.db2.gz BWENJUNMKVFVTG-QKDCVEJESA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170714851 807882774 /nfs/dbraw/zinc/88/27/74/807882774.db2.gz BWENJUNMKVFVTG-QKDCVEJESA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171116013 807989402 /nfs/dbraw/zinc/98/94/02/807989402.db2.gz JAENXYXKFWDSFF-HNNXBMFYSA-N 2 1 289.810 3.158 20 0 CGADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(C)c(N)[nH+]3)c2c1 ZINC001171167228 807998878 /nfs/dbraw/zinc/99/88/78/807998878.db2.gz PFMKZZHQQDLGPL-CYBMUJFWSA-N 2 1 294.402 3.114 20 0 CGADMP Cc1[nH+]c2ccc(NC[C@H]3CCCC[NH2+]3)cc2n1C(C)C ZINC001171335219 808030574 /nfs/dbraw/zinc/03/05/74/808030574.db2.gz SPFAFMZCLSIPGC-OAHLLOKOSA-N 2 1 286.423 3.480 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171434063 808055091 /nfs/dbraw/zinc/05/50/91/808055091.db2.gz QKJZJRLDNKTAES-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171434063 808055095 /nfs/dbraw/zinc/05/50/95/808055095.db2.gz QKJZJRLDNKTAES-MRXNPFEDSA-N 2 1 290.426 3.099 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccncc1 ZINC001171613821 808105550 /nfs/dbraw/zinc/10/55/50/808105550.db2.gz QQDYASAHEAXLFD-ZDUSSCGKSA-N 2 1 275.440 3.384 20 0 CGADMP C[NH+]1C(C)(C)CC([NH+]2CC3(C2)CC(F)(F)C3)CC1(C)C ZINC001171629445 808107567 /nfs/dbraw/zinc/10/75/67/808107567.db2.gz RKTYCFFMNZALCR-UHFFFAOYSA-N 2 1 286.410 3.369 20 0 CGADMP C[N@H+](C1CC(F)(F)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629148 808107887 /nfs/dbraw/zinc/10/78/87/808107887.db2.gz NSRAFJRUKYFYNX-UHFFFAOYSA-N 2 1 274.399 3.367 20 0 CGADMP C[N@@H+](C1CC(F)(F)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629148 808107889 /nfs/dbraw/zinc/10/78/89/808107889.db2.gz NSRAFJRUKYFYNX-UHFFFAOYSA-N 2 1 274.399 3.367 20 0 CGADMP CC1(C)C[C@H]([NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171964218 808161313 /nfs/dbraw/zinc/16/13/13/808161313.db2.gz KZACYXJSBMZJGP-MRXNPFEDSA-N 2 1 258.409 3.182 20 0 CGADMP C[C@@H]([NH3+])c1nc2ccccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098661 808170637 /nfs/dbraw/zinc/17/06/37/808170637.db2.gz GMOQZPJBHOAGRT-APIJFGDWSA-N 2 1 298.434 3.244 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172099970 808171593 /nfs/dbraw/zinc/17/15/93/808171593.db2.gz LECUTUOAHDWXLR-NNZMDNLPSA-N 2 1 272.436 3.142 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098998 808172912 /nfs/dbraw/zinc/17/29/12/808172912.db2.gz HSQFKTZSDLXZLZ-OVYGPGRDSA-N 2 1 264.457 3.418 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC001172104047 808173447 /nfs/dbraw/zinc/17/34/47/808173447.db2.gz ZBRMTIFWSDEVPZ-MUJYYYPQSA-N 2 1 276.399 3.239 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104137 808174068 /nfs/dbraw/zinc/17/40/68/808174068.db2.gz DCRCYUNOTHOULT-TVFCKZIOSA-N 3 1 295.515 3.102 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104137 808174071 /nfs/dbraw/zinc/17/40/71/808174071.db2.gz DCRCYUNOTHOULT-TVFCKZIOSA-N 3 1 295.515 3.102 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(F)c1F)C2 ZINC001172103093 808174285 /nfs/dbraw/zinc/17/42/85/808174285.db2.gz RONMLKBCDGRMNJ-CLLJXQQHSA-N 2 1 298.352 3.209 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(F)c1F)C2 ZINC001172103093 808174290 /nfs/dbraw/zinc/17/42/90/808174290.db2.gz RONMLKBCDGRMNJ-CLLJXQQHSA-N 2 1 298.352 3.209 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102819 808174815 /nfs/dbraw/zinc/17/48/15/808174815.db2.gz PDOZUUSZWOFLSB-LLLHUVSDSA-N 2 1 288.435 3.361 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102819 808174820 /nfs/dbraw/zinc/17/48/20/808174820.db2.gz PDOZUUSZWOFLSB-LLLHUVSDSA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172106522 808176418 /nfs/dbraw/zinc/17/64/18/808176418.db2.gz PWYBHZFWSZDURN-YVSFHVDLSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172106522 808176420 /nfs/dbraw/zinc/17/64/20/808176420.db2.gz PWYBHZFWSZDURN-YVSFHVDLSA-N 2 1 273.424 3.138 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)C2 ZINC001172107198 808176928 /nfs/dbraw/zinc/17/69/28/808176928.db2.gz UOIRWQGQPAFLBQ-LTAJLKHCSA-N 2 1 262.441 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)C2 ZINC001172107198 808176931 /nfs/dbraw/zinc/17/69/31/808176931.db2.gz UOIRWQGQPAFLBQ-LTAJLKHCSA-N 2 1 262.441 3.170 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3cnccc31)C2 ZINC001172110520 808178126 /nfs/dbraw/zinc/17/81/26/808178126.db2.gz OARBBTGSMLXFCI-XLMAVXFVSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3cnccc31)C2 ZINC001172110520 808178129 /nfs/dbraw/zinc/17/81/29/808178129.db2.gz OARBBTGSMLXFCI-XLMAVXFVSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C2 ZINC001172112171 808178931 /nfs/dbraw/zinc/17/89/31/808178931.db2.gz SXQAGSKNIRXJJB-ZQDZILKHSA-N 2 1 286.410 3.417 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc3cccnc31)C2 ZINC001172109051 808179128 /nfs/dbraw/zinc/17/91/28/808179128.db2.gz GKJXRYAIJISJMO-BCDXTJNWSA-N 2 1 295.430 3.340 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(F)(F)F)CC1)C2 ZINC001172120051 808184210 /nfs/dbraw/zinc/18/42/10/808184210.db2.gz JIEOSUCSYUQUQM-BTTYYORXSA-N 2 1 290.373 3.276 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(F)(F)F)CC1)C2 ZINC001172120051 808184215 /nfs/dbraw/zinc/18/42/15/808184215.db2.gz JIEOSUCSYUQUQM-BTTYYORXSA-N 2 1 290.373 3.276 20 0 CGADMP C[C@@H]1CCCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123284 808185785 /nfs/dbraw/zinc/18/57/85/808185785.db2.gz ZFHOVKQDOOCRHG-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CCCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123284 808185789 /nfs/dbraw/zinc/18/57/89/808185789.db2.gz ZFHOVKQDOOCRHG-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CCCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123284 808185792 /nfs/dbraw/zinc/18/57/92/808185792.db2.gz ZFHOVKQDOOCRHG-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP C[C@@H]1CCCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123284 808185795 /nfs/dbraw/zinc/18/57/95/808185795.db2.gz ZFHOVKQDOOCRHG-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124214 808187115 /nfs/dbraw/zinc/18/71/15/808187115.db2.gz JNHFHPPGNSZMNF-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124214 808187119 /nfs/dbraw/zinc/18/71/19/808187119.db2.gz JNHFHPPGNSZMNF-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124214 808187113 /nfs/dbraw/zinc/18/71/13/808187113.db2.gz JNHFHPPGNSZMNF-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124214 808187120 /nfs/dbraw/zinc/18/71/20/808187120.db2.gz JNHFHPPGNSZMNF-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172320700 808230985 /nfs/dbraw/zinc/23/09/85/808230985.db2.gz ZNAGEJJRHSKKBT-ULQDDVLXSA-N 2 1 284.488 3.434 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172373459 808268554 /nfs/dbraw/zinc/26/85/54/808268554.db2.gz MKTQDFIFCYEESJ-SQWLQELKSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172373459 808268560 /nfs/dbraw/zinc/26/85/60/808268560.db2.gz MKTQDFIFCYEESJ-SQWLQELKSA-N 2 1 252.446 3.227 20 0 CGADMP CCOCC[C@@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172415444 808300632 /nfs/dbraw/zinc/30/06/32/808300632.db2.gz ZMRSEUCXBZUSIL-BZUAXINKSA-N 2 1 284.488 3.420 20 0 CGADMP CC(C)OCC[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172441122 808316420 /nfs/dbraw/zinc/31/64/20/808316420.db2.gz SLZPDFXMPSCUNV-HOTGVXAUSA-N 2 1 270.461 3.031 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC001173108594 808511862 /nfs/dbraw/zinc/51/18/62/808511862.db2.gz OQZYSMFMAKJONG-AQEOSJORSA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([NH+]2CCC([N@H+](C)CC)CC2)CC1 ZINC001173112679 808513743 /nfs/dbraw/zinc/51/37/43/808513743.db2.gz BQJCPXWLHSBPGH-UHFFFAOYSA-N 3 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)C1CCC(N2CCC([N@@H+](C)CC)CC2)CC1 ZINC001173112679 808513744 /nfs/dbraw/zinc/51/37/44/808513744.db2.gz BQJCPXWLHSBPGH-UHFFFAOYSA-N 2 1 295.515 3.056 20 0 CGADMP CC[NH+](CC)C1CCC(N2CCC([N@H+](C)CC)CC2)CC1 ZINC001173112679 808513745 /nfs/dbraw/zinc/51/37/45/808513745.db2.gz BQJCPXWLHSBPGH-UHFFFAOYSA-N 2 1 295.515 3.056 20 0 CGADMP COC(=O)CCCC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001173437036 808634514 /nfs/dbraw/zinc/63/45/14/808634514.db2.gz HVYXNJOWXGFSRX-OAHLLOKOSA-N 2 1 298.471 3.092 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCc3ccc(F)cc3)C[C@H]2CC1 ZINC001274879708 808890290 /nfs/dbraw/zinc/89/02/90/808890290.db2.gz VGJCMUHWEHJXNH-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3ccc(F)cc3)C[C@H]2CC1 ZINC001274879708 808890294 /nfs/dbraw/zinc/89/02/94/808890294.db2.gz VGJCMUHWEHJXNH-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3ccc(F)cc3)C[C@H]2CC1 ZINC001274879708 808890299 /nfs/dbraw/zinc/89/02/99/808890299.db2.gz VGJCMUHWEHJXNH-CALCHBBNSA-N 2 1 290.426 3.032 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](CC3CCCCC3)C2)C1 ZINC001275038627 808898821 /nfs/dbraw/zinc/89/88/21/808898821.db2.gz FIJCSIZIMDOKKN-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001275038627 808898828 /nfs/dbraw/zinc/89/88/28/808898828.db2.gz FIJCSIZIMDOKKN-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001275038627 808898836 /nfs/dbraw/zinc/89/88/36/808898836.db2.gz FIJCSIZIMDOKKN-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC2(C1)CCC[N@H+](C)C2 ZINC001275045570 808900296 /nfs/dbraw/zinc/90/02/96/808900296.db2.gz PLYLIDZJOBMDBR-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](C)C2 ZINC001275045570 808900302 /nfs/dbraw/zinc/90/03/02/808900302.db2.gz PLYLIDZJOBMDBR-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP COc1ccccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275252614 808923743 /nfs/dbraw/zinc/92/37/43/808923743.db2.gz DGYUPCNYMBOJJC-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(F)c3Cl)C[C@H]2CC1 ZINC001275305686 808928375 /nfs/dbraw/zinc/92/83/75/808928375.db2.gz MKDWTQFXYAGJMI-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3Cl)C[C@H]2CC1 ZINC001275305686 808928384 /nfs/dbraw/zinc/92/83/84/808928384.db2.gz MKDWTQFXYAGJMI-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(F)c3Cl)C[C@H]2CC1 ZINC001275305686 808928395 /nfs/dbraw/zinc/92/83/95/808928395.db2.gz MKDWTQFXYAGJMI-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP CC(=O)Nc1cc(Nc2cc[nH+]c(C(C)(C)C)c2)cc[nH+]1 ZINC001213162708 815247937 /nfs/dbraw/zinc/24/79/37/815247937.db2.gz JLRABRKYPQRYFO-UHFFFAOYSA-N 2 1 284.363 3.476 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ncsc2c1 ZINC001275561342 808949140 /nfs/dbraw/zinc/94/91/40/808949140.db2.gz YHVGZNATZIJXNP-AGUYFDCRSA-N 2 1 287.432 3.011 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ncsc2c1 ZINC001275561342 808949147 /nfs/dbraw/zinc/94/91/47/808949147.db2.gz YHVGZNATZIJXNP-AGUYFDCRSA-N 2 1 287.432 3.011 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2ncsc21 ZINC001275559078 808949371 /nfs/dbraw/zinc/94/93/71/808949371.db2.gz TYCNBHKVMSZWCJ-AGUYFDCRSA-N 2 1 287.432 3.011 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC001275865932 808972250 /nfs/dbraw/zinc/97/22/50/808972250.db2.gz JBKJBXPZSBTXKN-UHFFFAOYSA-N 2 1 264.438 3.056 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1coc3ccccc13)CC2 ZINC001276124693 808989856 /nfs/dbraw/zinc/98/98/56/808989856.db2.gz FLSFOKNZMPPHAJ-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1cccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1F ZINC001276304751 809000588 /nfs/dbraw/zinc/00/05/88/809000588.db2.gz KFPNJOQZKGPQLG-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP CC/C=C\CCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276465606 809010966 /nfs/dbraw/zinc/01/09/66/809010966.db2.gz MDLAZCRJIQNMRV-PLNGDYQASA-N 2 1 250.430 3.151 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(Cl)c1 ZINC001276745062 809028079 /nfs/dbraw/zinc/02/80/79/809028079.db2.gz MWLJHWXUZFOPRT-ALOPSCKCSA-N 2 1 292.854 3.487 20 0 CGADMP Cc1cccc2[nH]cc(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)c21 ZINC001276840111 809035374 /nfs/dbraw/zinc/03/53/74/809035374.db2.gz JGFIMDLSNVHYFW-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4cccnc4c3)C[C@H]2CC1 ZINC001276833342 809035710 /nfs/dbraw/zinc/03/57/10/809035710.db2.gz LXNBRRABYGWZPV-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4cccnc4c3)C[C@H]2CC1 ZINC001276833342 809035716 /nfs/dbraw/zinc/03/57/16/809035716.db2.gz LXNBRRABYGWZPV-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4cccnc4c3)C[C@H]2CC1 ZINC001276833342 809035724 /nfs/dbraw/zinc/03/57/24/809035724.db2.gz LXNBRRABYGWZPV-HDICACEKSA-N 2 1 295.430 3.008 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(C3CC3)C2)C1 ZINC001277921447 809105178 /nfs/dbraw/zinc/10/51/78/809105178.db2.gz DDONSVHUQHIFAG-OAHLLOKOSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC2(CC1)C[N@H+](C1CCCC1)Cc1ccccc12 ZINC001277929491 809106060 /nfs/dbraw/zinc/10/60/60/809106060.db2.gz VEHYBIXZKGTHOJ-UHFFFAOYSA-N 2 1 284.447 3.408 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc(C)n1 ZINC001177299519 809791848 /nfs/dbraw/zinc/79/18/48/809791848.db2.gz TZWAJPRKGVPIRC-QGZVFWFLSA-N 2 1 289.467 3.443 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001179816055 809948698 /nfs/dbraw/zinc/94/86/98/809948698.db2.gz KLPIROYSEBBIHM-XOKHGSTOSA-N 2 1 292.854 3.387 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC001179830350 809948832 /nfs/dbraw/zinc/94/88/32/809948832.db2.gz OZNRPUHMGBRKIV-CYBMUJFWSA-N 2 1 275.396 3.038 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001179932235 809959689 /nfs/dbraw/zinc/95/96/89/809959689.db2.gz ZMSKWVHPRCJIGO-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001180219992 809984823 /nfs/dbraw/zinc/98/48/23/809984823.db2.gz XAZZLKLMPIFCCZ-UHFFFAOYSA-N 2 1 294.389 3.055 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC001182152668 810095984 /nfs/dbraw/zinc/09/59/84/810095984.db2.gz QWEBJJDTPOLNPQ-HRCADAONSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC001182152668 810095989 /nfs/dbraw/zinc/09/59/89/810095989.db2.gz QWEBJJDTPOLNPQ-HRCADAONSA-N 2 1 270.461 3.044 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)s1 ZINC001183372260 810147671 /nfs/dbraw/zinc/14/76/71/810147671.db2.gz ZWGBKKZCBFVHMM-CZUORRHYSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)s1 ZINC001183372260 810147674 /nfs/dbraw/zinc/14/76/74/810147674.db2.gz ZWGBKKZCBFVHMM-CZUORRHYSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)s1 ZINC001183372260 810147677 /nfs/dbraw/zinc/14/76/77/810147677.db2.gz ZWGBKKZCBFVHMM-CZUORRHYSA-N 2 1 278.465 3.227 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)s1 ZINC001183372260 810147680 /nfs/dbraw/zinc/14/76/80/810147680.db2.gz ZWGBKKZCBFVHMM-CZUORRHYSA-N 2 1 278.465 3.227 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(OC)c2)CC1 ZINC001199783367 811597093 /nfs/dbraw/zinc/59/70/93/811597093.db2.gz CNGZXBGEGKMZCO-UHFFFAOYSA-N 2 1 294.414 3.188 20 0 CGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC001200244856 811652101 /nfs/dbraw/zinc/65/21/01/811652101.db2.gz ZWBHAKJRJPMJJS-OAHLLOKOSA-N 2 1 294.414 3.044 20 0 CGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1F ZINC001200244856 811652106 /nfs/dbraw/zinc/65/21/06/811652106.db2.gz ZWBHAKJRJPMJJS-OAHLLOKOSA-N 2 1 294.414 3.044 20 0 CGADMP C[N@@H+](CC1CC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001201942849 811979603 /nfs/dbraw/zinc/97/96/03/811979603.db2.gz RAIBEDGOYBUAOJ-UHFFFAOYSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001203297650 812299028 /nfs/dbraw/zinc/29/90/28/812299028.db2.gz QIJJOWGGEFALJO-HOTGVXAUSA-N 2 1 276.424 3.427 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001203297650 812299037 /nfs/dbraw/zinc/29/90/37/812299037.db2.gz QIJJOWGGEFALJO-HOTGVXAUSA-N 2 1 276.424 3.427 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001203297650 812299046 /nfs/dbraw/zinc/29/90/46/812299046.db2.gz QIJJOWGGEFALJO-HOTGVXAUSA-N 2 1 276.424 3.427 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001203297650 812299053 /nfs/dbraw/zinc/29/90/53/812299053.db2.gz QIJJOWGGEFALJO-HOTGVXAUSA-N 2 1 276.424 3.427 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(F)c2)CC1 ZINC001203784906 812461217 /nfs/dbraw/zinc/46/12/17/812461217.db2.gz PVSICRQDFVGBEG-UHFFFAOYSA-N 2 1 299.393 3.268 20 0 CGADMP Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC001204029189 812524653 /nfs/dbraw/zinc/52/46/53/812524653.db2.gz WPGKPYCQAXFJJU-IRXDYDNUSA-N 2 1 297.446 3.235 20 0 CGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccnc4ccccc34)C[C@H]2C1 ZINC001204089460 812546565 /nfs/dbraw/zinc/54/65/65/812546565.db2.gz CTISTMZXUJTHDN-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccnc4ccccc34)C[C@@H]2C1 ZINC001204089460 812546569 /nfs/dbraw/zinc/54/65/69/812546569.db2.gz CTISTMZXUJTHDN-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc4ccccc34)C[C@@H]2C1 ZINC001204089460 812546574 /nfs/dbraw/zinc/54/65/74/812546574.db2.gz CTISTMZXUJTHDN-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@@H]2C1 ZINC001204089460 812546581 /nfs/dbraw/zinc/54/65/81/812546581.db2.gz CTISTMZXUJTHDN-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@@H]2C1 ZINC001204089460 812546586 /nfs/dbraw/zinc/54/65/86/812546586.db2.gz CTISTMZXUJTHDN-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268988 812592086 /nfs/dbraw/zinc/59/20/86/812592086.db2.gz RPZYGFTUTXDCJH-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(C)c3)C[C@@H]2C1 ZINC001204357157 812619962 /nfs/dbraw/zinc/61/99/62/812619962.db2.gz QNGHZGIWNZKTMC-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@H]2C1 ZINC001204357157 812619966 /nfs/dbraw/zinc/61/99/66/812619966.db2.gz QNGHZGIWNZKTMC-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@H]2C1 ZINC001204357157 812619974 /nfs/dbraw/zinc/61/99/74/812619974.db2.gz QNGHZGIWNZKTMC-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001204598715 812685425 /nfs/dbraw/zinc/68/54/25/812685425.db2.gz NSVXYXOEJIRDIP-OKILXGFUSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001204604175 812686826 /nfs/dbraw/zinc/68/68/26/812686826.db2.gz CMOKJKJKGPBRJH-INIZCTEOSA-N 2 1 276.424 3.012 20 0 CGADMP CC(C)[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001204604175 812686828 /nfs/dbraw/zinc/68/68/28/812686828.db2.gz CMOKJKJKGPBRJH-INIZCTEOSA-N 2 1 276.424 3.012 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204604631 812686993 /nfs/dbraw/zinc/68/69/93/812686993.db2.gz TZVVOUPZPAQVDX-GOEBONIOSA-N 2 1 296.405 3.388 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204604631 812686996 /nfs/dbraw/zinc/68/69/96/812686996.db2.gz TZVVOUPZPAQVDX-GOEBONIOSA-N 2 1 296.405 3.388 20 0 CGADMP C[NH+](C)Cc1ccc(-c2ccc(C[N@@H+](C)C3CC3)cn2)cc1 ZINC001204625143 812694147 /nfs/dbraw/zinc/69/41/47/812694147.db2.gz BITLUVVDCFAZEV-UHFFFAOYSA-N 2 1 295.430 3.404 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(C)n1 ZINC001204689519 812708153 /nfs/dbraw/zinc/70/81/53/812708153.db2.gz DNFFYMADJLBHSU-SFHVURJKSA-N 2 1 287.451 3.149 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(C)n1 ZINC001204689519 812708155 /nfs/dbraw/zinc/70/81/55/812708155.db2.gz DNFFYMADJLBHSU-SFHVURJKSA-N 2 1 287.451 3.149 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2NC)CC1 ZINC001204714492 812715114 /nfs/dbraw/zinc/71/51/14/812715114.db2.gz RYPHZQRPYZFCDR-UHFFFAOYSA-N 2 1 275.440 3.035 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2NC)CC1 ZINC001204714492 812715120 /nfs/dbraw/zinc/71/51/20/812715120.db2.gz RYPHZQRPYZFCDR-UHFFFAOYSA-N 2 1 275.440 3.035 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001204727902 812719266 /nfs/dbraw/zinc/71/92/66/812719266.db2.gz VJBXXMCGTHZHPB-IRXDYDNUSA-N 2 1 276.468 3.444 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC2(F)CC[NH2+]CC2)c1 ZINC001204847810 812753046 /nfs/dbraw/zinc/75/30/46/812753046.db2.gz GZROXDJOXPNKNG-MRXNPFEDSA-N 2 1 276.399 3.224 20 0 CGADMP CC[C@H]([NH3+])C[NH+]1CCC(CCCc2ccccc2)CC1 ZINC001204885421 812763513 /nfs/dbraw/zinc/76/35/13/812763513.db2.gz UWMFZNCQPONNJO-SFHVURJKSA-N 2 1 274.452 3.459 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)cc1 ZINC001204918521 812775677 /nfs/dbraw/zinc/77/56/77/812775677.db2.gz GMQKVIHPTMBAFI-OSYLJGHBSA-N 2 1 272.436 3.011 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095585 812860754 /nfs/dbraw/zinc/86/07/54/812860754.db2.gz ZQTWIFDYWPMNNM-HOTGVXAUSA-N 2 1 284.488 3.421 20 0 CGADMP Cc1csc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205102583 812866454 /nfs/dbraw/zinc/86/64/54/812866454.db2.gz TXGHSAGBVFIQAI-SNVBAGLBSA-N 2 1 258.818 3.023 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205102583 812866466 /nfs/dbraw/zinc/86/64/66/812866466.db2.gz TXGHSAGBVFIQAI-SNVBAGLBSA-N 2 1 258.818 3.023 20 0 CGADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164752 812894434 /nfs/dbraw/zinc/89/44/34/812894434.db2.gz RXGZWIXLKQTNCM-GOEBONIOSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)Cc2ccccc21 ZINC001205164746 812894511 /nfs/dbraw/zinc/89/45/11/812894511.db2.gz RUWPKDWCEBQSFV-CQSZACIVSA-N 2 1 266.388 3.265 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001205164951 812895250 /nfs/dbraw/zinc/89/52/50/812895250.db2.gz XSWCSJWGPJHZMT-ZENOOKHLSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC001205164951 812895256 /nfs/dbraw/zinc/89/52/56/812895256.db2.gz XSWCSJWGPJHZMT-ZENOOKHLSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2cccc(Cl)c2)CC1 ZINC001205256914 812918812 /nfs/dbraw/zinc/91/88/12/812918812.db2.gz SHMDNKXZCXWRIT-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC001205257470 812919529 /nfs/dbraw/zinc/91/95/29/812919529.db2.gz VRLJTWYLYVGWPH-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2C(F)F)CC1 ZINC001205274406 812925857 /nfs/dbraw/zinc/92/58/57/812925857.db2.gz XDQBERZXMCGUEG-HNNXBMFYSA-N 2 1 268.351 3.328 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3c2CCCC3)CC1 ZINC001205281524 812929760 /nfs/dbraw/zinc/92/97/60/812929760.db2.gz ULIQPHVTBKSEIK-GOSISDBHSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)c12 ZINC001205287808 812931608 /nfs/dbraw/zinc/93/16/08/812931608.db2.gz CPZPJZXIAXPQDU-SFHVURJKSA-N 2 1 283.419 3.247 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001205340670 812963065 /nfs/dbraw/zinc/96/30/65/812963065.db2.gz YKJYXEKLKXRSQE-GOSISDBHSA-N 2 1 284.447 3.256 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Cl ZINC001205545405 812999981 /nfs/dbraw/zinc/99/99/81/812999981.db2.gz GPWDESGPEAOEOM-CYBMUJFWSA-N 2 1 290.835 3.363 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001205559871 813002533 /nfs/dbraw/zinc/00/25/33/813002533.db2.gz WDSAQVPRGMSVRG-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205602072 813017004 /nfs/dbraw/zinc/01/70/04/813017004.db2.gz HSGDXHHTOOGPCS-DOTOQJQBSA-N 2 1 290.451 3.282 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)CC[C@@H]1C[NH3+] ZINC001205601960 813018487 /nfs/dbraw/zinc/01/84/87/813018487.db2.gz HEROAGWYNRFSMC-GDBMZVCRSA-N 2 1 299.418 3.148 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618028 813028408 /nfs/dbraw/zinc/02/84/08/813028408.db2.gz QTMRSDLCSJVUHN-UKRRQHHQSA-N 2 1 285.435 3.283 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)cc21 ZINC001205618008 813029339 /nfs/dbraw/zinc/02/93/39/813029339.db2.gz QOOJNVNUGSOJAB-QAPCUYQASA-N 2 1 299.462 3.468 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205625969 813032299 /nfs/dbraw/zinc/03/22/99/813032299.db2.gz DBGINIMCDUBITN-PBHICJAKSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3scnc3c2)CC[C@@H]1C[NH3+] ZINC001205626845 813032997 /nfs/dbraw/zinc/03/29/97/813032997.db2.gz JUNRXNOBRBOEMQ-GXTWGEPZSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)F)CC[C@H]1C[NH3+] ZINC001205626710 813033042 /nfs/dbraw/zinc/03/30/42/813033042.db2.gz IHWZWSJLAFIFOQ-OLZOCXBDSA-N 2 1 282.378 3.431 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccnc(C(C)(C)C)c2)CC[C@@H]1C[NH3+] ZINC001205636863 813036119 /nfs/dbraw/zinc/03/61/19/813036119.db2.gz FQEYVIDFIJFMQQ-GOEBONIOSA-N 2 1 289.467 3.186 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205637812 813036748 /nfs/dbraw/zinc/03/67/48/813036748.db2.gz IYCIUDOGKLLULP-KGLIPLIRSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1c(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1F ZINC001205638736 813037675 /nfs/dbraw/zinc/03/76/75/813037675.db2.gz RLBVLDNSGTUGOG-BXUZGUMPSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccsc2Cl)CC[C@H]1C[NH3+] ZINC001205638829 813038023 /nfs/dbraw/zinc/03/80/23/813038023.db2.gz SHYILGMECFXDQI-MNOVXSKESA-N 2 1 272.845 3.208 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205653708 813042097 /nfs/dbraw/zinc/04/20/97/813042097.db2.gz UKQYDYXVKFUDTN-RHSMWYFYSA-N 2 1 274.452 3.364 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1F ZINC001205651769 813042876 /nfs/dbraw/zinc/04/28/76/813042876.db2.gz JTBQCQQIJVNFQK-DZGCQCFKSA-N 2 1 294.414 3.031 20 0 CGADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Cl ZINC001205652320 813043038 /nfs/dbraw/zinc/04/30/38/813043038.db2.gz PGAUPZNFHINOMS-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)nc1C ZINC001205654484 813045166 /nfs/dbraw/zinc/04/51/66/813045166.db2.gz WZZLPFSGEYTQGN-FZMZJTMJSA-N 2 1 295.858 3.159 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205763978 813069648 /nfs/dbraw/zinc/06/96/48/813069648.db2.gz SVHLPSAVTCWJEK-HNNXBMFYSA-N 2 1 296.405 3.400 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205763978 813069658 /nfs/dbraw/zinc/06/96/58/813069658.db2.gz SVHLPSAVTCWJEK-HNNXBMFYSA-N 2 1 296.405 3.400 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3cccccc2-3)CCC1(F)F ZINC001205786999 813078557 /nfs/dbraw/zinc/07/85/57/813078557.db2.gz DBSWXRIBEVYSSI-HNNXBMFYSA-N 2 1 290.357 3.207 20 0 CGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccsc3c2)CCC1(F)F ZINC001205789069 813079079 /nfs/dbraw/zinc/07/90/79/813079079.db2.gz VHNYMNQYYWDJQA-ZDUSSCGKSA-N 2 1 296.386 3.317 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccsc3c2)CCC1(F)F ZINC001205789069 813079087 /nfs/dbraw/zinc/07/90/87/813079087.db2.gz VHNYMNQYYWDJQA-ZDUSSCGKSA-N 2 1 296.386 3.317 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205839086 813102915 /nfs/dbraw/zinc/10/29/15/813102915.db2.gz DOKZIUTXBQKHAE-ZBFHGGJFSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205839086 813102919 /nfs/dbraw/zinc/10/29/19/813102919.db2.gz DOKZIUTXBQKHAE-ZBFHGGJFSA-N 2 1 260.425 3.369 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001205851751 813108433 /nfs/dbraw/zinc/10/84/33/813108433.db2.gz BILHGNMYSLIDLG-OAHLLOKOSA-N 2 1 282.428 3.108 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cccc(Cl)c12 ZINC001205903049 813124411 /nfs/dbraw/zinc/12/44/11/813124411.db2.gz NFEANQQIIDYVJG-NWDGAFQWSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1csc2ccccc12 ZINC001205901967 813124421 /nfs/dbraw/zinc/12/44/21/813124421.db2.gz GNFQWYOUSRNUEY-CHWSQXEVSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001205903014 813125171 /nfs/dbraw/zinc/12/51/71/813125171.db2.gz MTIQCFLBBRIHMM-OCCSQVGLSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1C1CC1 ZINC001205903888 813125760 /nfs/dbraw/zinc/12/57/60/813125760.db2.gz RVSLSXMBIOQBHP-UKRRQHHQSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001205904428 813126671 /nfs/dbraw/zinc/12/66/71/813126671.db2.gz VDNJPQZTSOKJSW-DGCLKSJQSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC001205904428 813126672 /nfs/dbraw/zinc/12/66/72/813126672.db2.gz VDNJPQZTSOKJSW-DGCLKSJQSA-N 2 1 286.341 3.265 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205905199 813127665 /nfs/dbraw/zinc/12/76/65/813127665.db2.gz ZIQHLKPYZKUDND-QWHCGFSZSA-N 2 1 289.398 3.175 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001205905205 813128041 /nfs/dbraw/zinc/12/80/41/813128041.db2.gz ZIWXAYZQNZDRKW-NWDGAFQWSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001205905205 813128046 /nfs/dbraw/zinc/12/80/46/813128046.db2.gz ZIWXAYZQNZDRKW-NWDGAFQWSA-N 2 1 286.341 3.265 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1OC(C)(C)C ZINC001205912818 813129112 /nfs/dbraw/zinc/12/91/12/813129112.db2.gz CVDLIGYPWBZSDZ-LSDHHAIUSA-N 2 1 290.451 3.423 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC001205912738 813129453 /nfs/dbraw/zinc/12/94/53/813129453.db2.gz BWMMFIFMWTVPBL-SUMWQHHRSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC001205912737 813129651 /nfs/dbraw/zinc/12/96/51/813129651.db2.gz BWMMFIFMWTVPBL-GUYCJALGSA-N 2 1 258.409 3.123 20 0 CGADMP Cc1nc2cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)ccc2s1 ZINC001205914742 813130973 /nfs/dbraw/zinc/13/09/73/813130973.db2.gz NDFJMZDZHKZXTC-SMDDNHRTSA-N 2 1 289.448 3.164 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1OC(C)C ZINC001205916169 813132392 /nfs/dbraw/zinc/13/23/92/813132392.db2.gz SGMHDKUCEAPHHI-HZPDHXFCSA-N 2 1 290.451 3.341 20 0 CGADMP [NH3+][C@H]1CCCC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001205923949 813135496 /nfs/dbraw/zinc/13/54/96/813135496.db2.gz QYQMEFNFHPDSCI-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205982531 813151911 /nfs/dbraw/zinc/15/19/11/813151911.db2.gz MGRYUCJBQRVIKQ-QWHCGFSZSA-N 2 1 266.816 3.147 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC001205985599 813153241 /nfs/dbraw/zinc/15/32/41/813153241.db2.gz YSZOQTOAULLINE-HZPDHXFCSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205992008 813155257 /nfs/dbraw/zinc/15/52/57/813155257.db2.gz CUSDLZQKQLLBKQ-ZIAGYGMSSA-N 2 1 280.843 3.455 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205994432 813157318 /nfs/dbraw/zinc/15/73/18/813157318.db2.gz LMVWBUYAMOGRDW-RDJZCZTQSA-N 2 1 290.451 3.282 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206004011 813161052 /nfs/dbraw/zinc/16/10/52/813161052.db2.gz OTMTZRUDUXZQOJ-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206003760 813161640 /nfs/dbraw/zinc/16/16/40/813161640.db2.gz MHKDKJODKPCMRN-UONOGXRCSA-N 2 1 280.843 3.455 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206004053 813161731 /nfs/dbraw/zinc/16/17/31/813161731.db2.gz PHWSDKCPHNLOSO-WBVHZDCISA-N 2 1 290.451 3.281 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)cccc2n1 ZINC001206036390 813175679 /nfs/dbraw/zinc/17/56/79/813175679.db2.gz JAMIFDMZIXXLPS-HOCLYGCPSA-N 2 1 297.446 3.350 20 0 CGADMP C[C@@H]1CC[N@H+](CCCCCOCc2ccccc2)C[C@H]1[NH3+] ZINC001206036561 813175743 /nfs/dbraw/zinc/17/57/43/813175743.db2.gz LBLBLGUPQFWENN-SJLPKXTDSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)C[C@H]1[NH3+] ZINC001206036561 813175747 /nfs/dbraw/zinc/17/57/47/813175747.db2.gz LBLBLGUPQFWENN-SJLPKXTDSA-N 2 1 290.451 3.043 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)nc1C ZINC001206036367 813176038 /nfs/dbraw/zinc/17/60/38/813176038.db2.gz IWXRUHQGOCQJLI-JSGCOSHPSA-N 2 1 295.858 3.159 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001206049357 813181635 /nfs/dbraw/zinc/18/16/35/813181635.db2.gz JQWMJEZBVIZHLY-DLBZAZTESA-N 2 1 276.399 3.495 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C[C@H]1C ZINC001206109547 813201475 /nfs/dbraw/zinc/20/14/75/813201475.db2.gz BJEPEELRKDCKLM-CHWSQXEVSA-N 2 1 278.465 3.262 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C ZINC001206110458 813203493 /nfs/dbraw/zinc/20/34/93/813203493.db2.gz XYPGKEJIDAOFNU-QWHCGFSZSA-N 2 1 278.465 3.262 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC[C@H]1F ZINC001206163985 813220870 /nfs/dbraw/zinc/22/08/70/813220870.db2.gz ILABWTSIWHWMHP-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC[C@H]1F ZINC001206163985 813220872 /nfs/dbraw/zinc/22/08/72/813220872.db2.gz ILABWTSIWHWMHP-KGLIPLIRSA-N 2 1 295.789 3.083 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc12 ZINC001206164666 813221556 /nfs/dbraw/zinc/22/15/56/813221556.db2.gz LIHKDMBZRHQWCD-ROUUACIJSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc12 ZINC001206164666 813221562 /nfs/dbraw/zinc/22/15/62/813221562.db2.gz LIHKDMBZRHQWCD-ROUUACIJSA-N 2 1 286.394 3.409 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c2ccccc12 ZINC001206257735 813260346 /nfs/dbraw/zinc/26/03/46/813260346.db2.gz IYYSKONFSMSCPK-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)c2ccccc12 ZINC001206257735 813260351 /nfs/dbraw/zinc/26/03/51/813260351.db2.gz IYYSKONFSMSCPK-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206276077 813267062 /nfs/dbraw/zinc/26/70/62/813267062.db2.gz BHALUSZPYGVLBS-AWEZNQCLSA-N 2 1 268.404 3.190 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001206285985 813272824 /nfs/dbraw/zinc/27/28/24/813272824.db2.gz QJCFYWUXENBKTF-OAHLLOKOSA-N 2 1 296.414 3.101 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001206285985 813272828 /nfs/dbraw/zinc/27/28/28/813272828.db2.gz QJCFYWUXENBKTF-OAHLLOKOSA-N 2 1 296.414 3.101 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccnc3ccccc23)CC1 ZINC001206294210 813275392 /nfs/dbraw/zinc/27/53/92/813275392.db2.gz JRESKNIHACDUDQ-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@](C)(C[NH3+])CC1)OCc1ccccc1 ZINC001206292897 813275550 /nfs/dbraw/zinc/27/55/50/813275550.db2.gz FLOXNEGDRDTVAK-FUHWJXTLSA-N 2 1 290.451 3.043 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304751 813281455 /nfs/dbraw/zinc/28/14/55/813281455.db2.gz OZDAAPJABGUPDV-GOSISDBHSA-N 2 1 290.451 3.426 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001206305106 813281502 /nfs/dbraw/zinc/28/15/02/813281502.db2.gz SZEAEYJIGSSPPG-OAHLLOKOSA-N 2 1 284.806 3.430 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ccncc32)CC1 ZINC001206310751 813283968 /nfs/dbraw/zinc/28/39/68/813283968.db2.gz BPHOZXNJBQTPTP-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206311740 813284386 /nfs/dbraw/zinc/28/43/86/813284386.db2.gz UBIRVXSTPNNLMQ-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2nccc3ccccc32)CC1 ZINC001206317221 813287129 /nfs/dbraw/zinc/28/71/29/813287129.db2.gz DBONVHSZLQJAHH-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c12 ZINC001206326240 813290090 /nfs/dbraw/zinc/29/00/90/813290090.db2.gz LZUUTAUEICTMLR-IBGZPJMESA-N 2 1 297.446 3.494 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206338024 813294721 /nfs/dbraw/zinc/29/47/21/813294721.db2.gz XZDOBWZKKJIDAC-GJZGRUSLSA-N 2 1 258.425 3.356 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206338024 813294724 /nfs/dbraw/zinc/29/47/24/813294724.db2.gz XZDOBWZKKJIDAC-GJZGRUSLSA-N 2 1 258.425 3.356 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001206542022 813343754 /nfs/dbraw/zinc/34/37/54/813343754.db2.gz PGPDGPYQYGJWOI-INIZCTEOSA-N 2 1 252.446 3.408 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001206542023 813344170 /nfs/dbraw/zinc/34/41/70/813344170.db2.gz PGPDGPYQYGJWOI-MRXNPFEDSA-N 2 1 252.446 3.408 20 0 CGADMP COc1ccccc1CCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541201 813344435 /nfs/dbraw/zinc/34/44/35/813344435.db2.gz FVIKMMZATJYVSE-GOSISDBHSA-N 2 1 290.451 3.079 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC001206542193 813345153 /nfs/dbraw/zinc/34/51/53/813345153.db2.gz UQIKATFXOXOGDH-MRXNPFEDSA-N 2 1 298.833 3.473 20 0 CGADMP Cc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1C ZINC001206550194 813347999 /nfs/dbraw/zinc/34/79/99/813347999.db2.gz XJBLRXOVEGYYSL-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc(C)c1F ZINC001206554911 813351933 /nfs/dbraw/zinc/35/19/33/813351933.db2.gz IHMVEPUEHABRLQ-QGZVFWFLSA-N 2 1 278.415 3.393 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556895 813352318 /nfs/dbraw/zinc/35/23/18/813352318.db2.gz ZKJSINASVGRNFG-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc(C)c1F ZINC001206554910 813352393 /nfs/dbraw/zinc/35/23/93/813352393.db2.gz IHMVEPUEHABRLQ-KRWDZBQOSA-N 2 1 278.415 3.393 20 0 CGADMP CSc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)s1 ZINC001206556270 813352477 /nfs/dbraw/zinc/35/24/77/813352477.db2.gz PZLVFEFQACREAQ-AWEZNQCLSA-N 2 1 284.494 3.421 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC001206556223 813352876 /nfs/dbraw/zinc/35/28/76/813352876.db2.gz OTYNSWLLAJTVHX-SFHVURJKSA-N 2 1 290.451 3.263 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001206563858 813354278 /nfs/dbraw/zinc/35/42/78/813354278.db2.gz IUZYICJCPBANPU-IBGZPJMESA-N 2 1 297.446 3.428 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1F ZINC001206563528 813354574 /nfs/dbraw/zinc/35/45/74/813354574.db2.gz FTIIAOMZMLWDGF-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1F ZINC001206563528 813354581 /nfs/dbraw/zinc/35/45/81/813354581.db2.gz FTIIAOMZMLWDGF-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001206574689 813359004 /nfs/dbraw/zinc/35/90/04/813359004.db2.gz UHEISRJEMZZGNM-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(C)cc1O ZINC001206590012 813367894 /nfs/dbraw/zinc/36/78/94/813367894.db2.gz KKTXPXHUQHNJEC-QGZVFWFLSA-N 2 1 290.451 3.362 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001206607186 813372031 /nfs/dbraw/zinc/37/20/31/813372031.db2.gz XLRYOLFGXBHORC-GOSISDBHSA-N 2 1 290.451 3.044 20 0 CGADMP CCCc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC001206616043 813375106 /nfs/dbraw/zinc/37/51/06/813375106.db2.gz LSVCCJDKQCJTJI-ZDUSSCGKSA-N 2 1 266.454 3.261 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206641271 813383941 /nfs/dbraw/zinc/38/39/41/813383941.db2.gz VNORUYGLTDUVGU-OAHLLOKOSA-N 2 1 268.404 3.352 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206648088 813384978 /nfs/dbraw/zinc/38/49/78/813384978.db2.gz LTMYKGKLZSDCGA-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001206646947 813385545 /nfs/dbraw/zinc/38/55/45/813385545.db2.gz FLIDASRCHYQVOR-AWEZNQCLSA-N 2 1 276.399 3.264 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206647171 813386705 /nfs/dbraw/zinc/38/67/05/813386705.db2.gz GENIQIXAPPFMLR-ZDUSSCGKSA-N 2 1 296.842 3.300 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206647171 813386714 /nfs/dbraw/zinc/38/67/14/813386714.db2.gz GENIQIXAPPFMLR-ZDUSSCGKSA-N 2 1 296.842 3.300 20 0 CGADMP CCCCC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206673642 813396240 /nfs/dbraw/zinc/39/62/40/813396240.db2.gz ITGFYEDWBIMQIE-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CCCCC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206673642 813396249 /nfs/dbraw/zinc/39/62/49/813396249.db2.gz ITGFYEDWBIMQIE-UHFFFAOYSA-N 2 1 290.451 3.141 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206761058 813426320 /nfs/dbraw/zinc/42/63/20/813426320.db2.gz SIISTWDTUGEBMC-ARFHVFGLSA-N 2 1 252.446 3.428 20 0 CGADMP COc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(C)c1C ZINC001206767823 813430576 /nfs/dbraw/zinc/43/05/76/813430576.db2.gz FOJMFPVOUOGGJE-CZUORRHYSA-N 2 1 290.451 3.180 20 0 CGADMP COc1ccccc1[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275402 813530637 /nfs/dbraw/zinc/53/06/37/813530637.db2.gz MZBOLDCMQAXPOP-OAHLLOKOSA-N 2 1 290.451 3.072 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001207283513 813534030 /nfs/dbraw/zinc/53/40/30/813534030.db2.gz ZTJRITFFQOGEBO-AWEZNQCLSA-N 2 1 278.440 3.276 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001207285222 813535662 /nfs/dbraw/zinc/53/56/62/813535662.db2.gz DIGKVFXPGNPBJN-QGZVFWFLSA-N 2 1 274.452 3.139 20 0 CGADMP C[C@@H]1C[C@H](F)C[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286772 813536170 /nfs/dbraw/zinc/53/61/70/813536170.db2.gz MCHXUVWTSBREIG-QAPCUYQASA-N 2 1 290.426 3.331 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c(F)c1 ZINC001207440844 813565906 /nfs/dbraw/zinc/56/59/06/813565906.db2.gz HBOVAOFRDTVJAZ-MRXNPFEDSA-N 2 1 280.362 3.101 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCCc3ccccc3)C[C@@H]2C1 ZINC001207614901 813614474 /nfs/dbraw/zinc/61/44/74/813614474.db2.gz JAHHYLKPEDFEIS-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207839176 813658157 /nfs/dbraw/zinc/65/81/57/813658157.db2.gz IEGLQROZMLKEDX-UHFFFAOYSA-N 2 1 284.447 3.277 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207839176 813658163 /nfs/dbraw/zinc/65/81/63/813658163.db2.gz IEGLQROZMLKEDX-UHFFFAOYSA-N 2 1 284.447 3.277 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001208114175 813695865 /nfs/dbraw/zinc/69/58/65/813695865.db2.gz SZNNMIVHPKNODW-HNNXBMFYSA-N 2 1 290.426 3.347 20 0 CGADMP CS[C@@H](C)CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001208140219 813705405 /nfs/dbraw/zinc/70/54/05/813705405.db2.gz DVEKGPGUPUYDFT-HOTGVXAUSA-N 2 1 284.513 3.468 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCC(C)=C[C@H]1C ZINC001208171384 813725484 /nfs/dbraw/zinc/72/54/84/813725484.db2.gz WNNFAZIMADPOHE-CVEARBPZSA-N 2 1 252.446 3.252 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001208599765 813771160 /nfs/dbraw/zinc/77/11/60/813771160.db2.gz LYESCTLXEGBGRC-LJQANCHMSA-N 2 1 286.463 3.283 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C=Cc4ccccc43)CC2)C1 ZINC001208606474 813771233 /nfs/dbraw/zinc/77/12/33/813771233.db2.gz GSGKBNHBSFOMCX-KRWDZBQOSA-N 2 1 296.458 3.389 20 0 CGADMP CCc1ccc(C[N@H+](C)CC2CC[NH+](CC)CC2)cc1 ZINC001208600980 813771256 /nfs/dbraw/zinc/77/12/56/813771256.db2.gz IMKZOCNNKMXEHV-UHFFFAOYSA-N 2 1 274.452 3.413 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001208605510 813771416 /nfs/dbraw/zinc/77/14/16/813771416.db2.gz AYCUKADBRBOVOS-NUVRTYOOSA-N 2 1 276.468 3.229 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001208605510 813771418 /nfs/dbraw/zinc/77/14/18/813771418.db2.gz AYCUKADBRBOVOS-NUVRTYOOSA-N 2 1 276.468 3.229 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001208605510 813771420 /nfs/dbraw/zinc/77/14/20/813771420.db2.gz AYCUKADBRBOVOS-NUVRTYOOSA-N 2 1 276.468 3.229 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001208605510 813771423 /nfs/dbraw/zinc/77/14/23/813771423.db2.gz AYCUKADBRBOVOS-NUVRTYOOSA-N 2 1 276.468 3.229 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001208605079 813771986 /nfs/dbraw/zinc/77/19/86/813771986.db2.gz YGOWFWCCLBSUJX-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606945 813774251 /nfs/dbraw/zinc/77/42/51/813774251.db2.gz JNLAGBAQLQUTEA-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606945 813774252 /nfs/dbraw/zinc/77/42/52/813774252.db2.gz JNLAGBAQLQUTEA-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606945 813774256 /nfs/dbraw/zinc/77/42/56/813774256.db2.gz JNLAGBAQLQUTEA-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606945 813774258 /nfs/dbraw/zinc/77/42/58/813774258.db2.gz JNLAGBAQLQUTEA-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607633 813774633 /nfs/dbraw/zinc/77/46/33/813774633.db2.gz DRDDBLKUDWRCTN-GDBMZVCRSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607633 813774638 /nfs/dbraw/zinc/77/46/38/813774638.db2.gz DRDDBLKUDWRCTN-GDBMZVCRSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607633 813774640 /nfs/dbraw/zinc/77/46/40/813774640.db2.gz DRDDBLKUDWRCTN-GDBMZVCRSA-N 2 1 292.854 3.471 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1)CC(C)(C)C ZINC001208662675 813784147 /nfs/dbraw/zinc/78/41/47/813784147.db2.gz CWHAVMSTCVSVAC-ZMSDIMECSA-N 2 1 266.473 3.332 20 0 CGADMP CC/C=C\CC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208728477 813817749 /nfs/dbraw/zinc/81/77/49/813817749.db2.gz BJKBXZVPSSYNNQ-SREVYHEPSA-N 2 1 252.446 3.395 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001208733770 813823294 /nfs/dbraw/zinc/82/32/94/813823294.db2.gz HDIBLRUNVWNMTH-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)CCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001208733770 813823305 /nfs/dbraw/zinc/82/33/05/813823305.db2.gz HDIBLRUNVWNMTH-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001208733770 813823316 /nfs/dbraw/zinc/82/33/16/813823316.db2.gz HDIBLRUNVWNMTH-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)CCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001208733770 813823325 /nfs/dbraw/zinc/82/33/25/813823325.db2.gz HDIBLRUNVWNMTH-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)CCC[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001208733770 813823334 /nfs/dbraw/zinc/82/33/34/813823334.db2.gz HDIBLRUNVWNMTH-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208773683 813840969 /nfs/dbraw/zinc/84/09/69/813840969.db2.gz COJSUYKWWNQCKD-MSOLQXFVSA-N 2 1 298.474 3.382 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208773683 813840976 /nfs/dbraw/zinc/84/09/76/813840976.db2.gz COJSUYKWWNQCKD-MSOLQXFVSA-N 2 1 298.474 3.382 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208773683 813840985 /nfs/dbraw/zinc/84/09/85/813840985.db2.gz COJSUYKWWNQCKD-MSOLQXFVSA-N 2 1 298.474 3.382 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](CCCc3ccccc3Cl)C[C@@H]2C1 ZINC001208873564 813877808 /nfs/dbraw/zinc/87/78/08/813877808.db2.gz GYJZQLZXGRJQPK-HOTGVXAUSA-N 2 1 292.854 3.156 20 0 CGADMP CC[C@H]1CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947823 813906444 /nfs/dbraw/zinc/90/64/44/813906444.db2.gz DILJLBRHHIBODW-ROUUACIJSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@H]1CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947823 813906450 /nfs/dbraw/zinc/90/64/50/813906450.db2.gz DILJLBRHHIBODW-ROUUACIJSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@H]1CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947823 813906457 /nfs/dbraw/zinc/90/64/57/813906457.db2.gz DILJLBRHHIBODW-ROUUACIJSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947822 813908532 /nfs/dbraw/zinc/90/85/32/813908532.db2.gz DILJLBRHHIBODW-QZTJIDSGSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H]1CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947822 813908537 /nfs/dbraw/zinc/90/85/37/813908537.db2.gz DILJLBRHHIBODW-QZTJIDSGSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H]1CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947822 813908545 /nfs/dbraw/zinc/90/85/45/813908545.db2.gz DILJLBRHHIBODW-QZTJIDSGSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208952884 813911315 /nfs/dbraw/zinc/91/13/15/813911315.db2.gz WPCJEPXMIWEWJH-INIZCTEOSA-N 2 1 260.425 3.239 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208952884 813911323 /nfs/dbraw/zinc/91/13/23/813911323.db2.gz WPCJEPXMIWEWJH-INIZCTEOSA-N 2 1 260.425 3.239 20 0 CGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208952884 813911330 /nfs/dbraw/zinc/91/13/30/813911330.db2.gz WPCJEPXMIWEWJH-INIZCTEOSA-N 2 1 260.425 3.239 20 0 CGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208952884 813911337 /nfs/dbraw/zinc/91/13/37/813911337.db2.gz WPCJEPXMIWEWJH-INIZCTEOSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCc2ccncc2)CC1 ZINC001209187782 813959842 /nfs/dbraw/zinc/95/98/42/813959842.db2.gz BDLSXVZYRTWZKY-UHFFFAOYSA-N 2 1 289.467 3.066 20 0 CGADMP COC(C)(C)CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209407609 814015556 /nfs/dbraw/zinc/01/55/56/814015556.db2.gz MAFHMUUPBLEXKW-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP COC(C)(C)CC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209409037 814015813 /nfs/dbraw/zinc/01/58/13/814015813.db2.gz OLHAUMSPVUWYGF-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP COC(C)(C)CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209409037 814015819 /nfs/dbraw/zinc/01/58/19/814015819.db2.gz OLHAUMSPVUWYGF-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP COC(C)(C)CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001209409037 814015826 /nfs/dbraw/zinc/01/58/26/814015826.db2.gz OLHAUMSPVUWYGF-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP Cc1cccc2c(C[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001209483676 814056563 /nfs/dbraw/zinc/05/65/63/814056563.db2.gz BMWTZHWVRYWEHS-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Cc1cccc2c(C[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001209483676 814056567 /nfs/dbraw/zinc/05/65/67/814056567.db2.gz BMWTZHWVRYWEHS-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Nc1cc[nH+]cc1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001209731541 814125070 /nfs/dbraw/zinc/12/50/70/814125070.db2.gz DKZFLCDSAORWCL-UHFFFAOYSA-N 2 1 267.376 3.049 20 0 CGADMP Nc1cc[nH+]cc1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001209731541 814125076 /nfs/dbraw/zinc/12/50/76/814125076.db2.gz DKZFLCDSAORWCL-UHFFFAOYSA-N 2 1 267.376 3.049 20 0 CGADMP C[NH+](C)CCOc1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1 ZINC001209847000 814164535 /nfs/dbraw/zinc/16/45/35/814164535.db2.gz LHFMYKUFPKGTFP-UHFFFAOYSA-N 2 1 296.374 3.247 20 0 CGADMP C[NH2+]CC1C[NH+](C[C@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001210560880 814526477 /nfs/dbraw/zinc/52/64/77/814526477.db2.gz BMEFIKPECZCSSF-OAHLLOKOSA-N 2 1 288.479 3.314 20 0 CGADMP Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001222141690 816357273 /nfs/dbraw/zinc/35/72/73/816357273.db2.gz QSDVOTXDPFAXGF-LJQANCHMSA-N 2 1 296.414 3.121 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222147860 816359234 /nfs/dbraw/zinc/35/92/34/816359234.db2.gz CKWMBZDWJWSTHC-LJQANCHMSA-N 2 1 286.463 3.461 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222160768 816366777 /nfs/dbraw/zinc/36/67/77/816366777.db2.gz INCJEGDLUMMUNP-SFHVURJKSA-N 2 1 289.467 3.377 20 0 CGADMP c1ccc(C2(C[N@@H+]3CCC[C@]4(CC[NH2+]4)C3)CCCC2)cc1 ZINC001222282671 816394573 /nfs/dbraw/zinc/39/45/73/816394573.db2.gz MCEYOXNFBVMRTN-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@]4(CC[NH2+]4)C3)CCCC2)cc1 ZINC001222282671 816394580 /nfs/dbraw/zinc/39/45/80/816394580.db2.gz MCEYOXNFBVMRTN-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222308241 816403933 /nfs/dbraw/zinc/40/39/33/816403933.db2.gz IEJYQCWHDXTVEB-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1C ZINC001222310359 816404900 /nfs/dbraw/zinc/40/49/00/816404900.db2.gz UGXRHCBHOXHOLD-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1C ZINC001222315275 816406306 /nfs/dbraw/zinc/40/63/06/816406306.db2.gz MDVKSOIGEPYNBF-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335500 816410605 /nfs/dbraw/zinc/41/06/05/816410605.db2.gz RJARLOMOGWGAEP-INIZCTEOSA-N 2 1 264.457 3.444 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401158 816433916 /nfs/dbraw/zinc/43/39/16/816433916.db2.gz SIFWSISFFREIRC-KRWDZBQOSA-N 2 1 294.483 3.071 20 0 CGADMP c1ccc([C@@H]2C[N@H+](CC3CCCCC3)CC23C[NH2+]C3)cc1 ZINC001222595508 816475359 /nfs/dbraw/zinc/47/53/59/816475359.db2.gz BTDGHAJLDSDOAR-SFHVURJKSA-N 2 1 284.447 3.256 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222620617 816481387 /nfs/dbraw/zinc/48/13/87/816481387.db2.gz WBKIBOSTHZZASW-DOTOQJQBSA-N 2 1 288.435 3.048 20 0 CGADMP C[NH+](C)CC[C@@H](OC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001224703484 816858263 /nfs/dbraw/zinc/85/82/63/816858263.db2.gz TXFCEYWMFNCJCJ-QZTJIDSGSA-N 2 1 290.451 3.180 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786357 817464828 /nfs/dbraw/zinc/46/48/28/817464828.db2.gz ZVKSSHJSMBASCQ-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)cc1C ZINC001231485011 818109695 /nfs/dbraw/zinc/10/96/95/818109695.db2.gz GLOUBXTZYJRWLZ-AEFFLSMTSA-N 2 1 272.436 3.138 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015098 818233220 /nfs/dbraw/zinc/23/32/20/818233220.db2.gz ATSAGAIKUGAEQI-UHFFFAOYSA-N 2 1 294.402 3.413 20 0 CGADMP C[N@@H+](CCC(=O)c1cccs1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016594 818235024 /nfs/dbraw/zinc/23/50/24/818235024.db2.gz DBLLJGQBMIJUKE-UHFFFAOYSA-N 2 1 299.399 3.329 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232018384 818236197 /nfs/dbraw/zinc/23/61/97/818236197.db2.gz KEKCTFQSLJNTSR-UHFFFAOYSA-N 2 1 277.371 3.430 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2o1 ZINC001234998259 818973317 /nfs/dbraw/zinc/97/33/17/818973317.db2.gz GYZOBUINNCRPFF-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024951 818980564 /nfs/dbraw/zinc/98/05/64/818980564.db2.gz UKHBZSLKGOHVEU-UHFFFAOYSA-N 2 1 292.426 3.457 20 0 CGADMP c1ccc2c(c1)oc1ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc12 ZINC001235026814 818982715 /nfs/dbraw/zinc/98/27/15/818982715.db2.gz SVSXERYORMDBRD-WMLDXEAASA-N 2 1 292.382 3.380 20 0 CGADMP c1ccc2c(c1)oc1ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc12 ZINC001235026814 818982720 /nfs/dbraw/zinc/98/27/20/818982720.db2.gz SVSXERYORMDBRD-WMLDXEAASA-N 2 1 292.382 3.380 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC001235034499 818983965 /nfs/dbraw/zinc/98/39/65/818983965.db2.gz ZMNNDIKISPHLPO-INIZCTEOSA-N 2 1 278.465 3.276 20 0 CGADMP Clc1ccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235036966 818986218 /nfs/dbraw/zinc/98/62/18/818986218.db2.gz AMSTWDBMLYPVSZ-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093144 818999522 /nfs/dbraw/zinc/99/95/22/818999522.db2.gz PSGCFJKMXRXSGU-UHFFFAOYSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235118557 819009866 /nfs/dbraw/zinc/00/98/66/819009866.db2.gz VYYSCONOZFTKKP-QGZVFWFLSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235118557 819009870 /nfs/dbraw/zinc/00/98/70/819009870.db2.gz VYYSCONOZFTKKP-QGZVFWFLSA-N 2 1 258.409 3.021 20 0 CGADMP CCOc1ccc(C)cc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235140366 819014702 /nfs/dbraw/zinc/01/47/02/819014702.db2.gz JWBZDIWUVXBUIB-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1cc(C[N@H+]2CCCC23CC[NH2+]CC3)cc(C)c1F ZINC001235143516 819015362 /nfs/dbraw/zinc/01/53/62/819015362.db2.gz DHAXTHLOGJHEMU-UHFFFAOYSA-N 2 1 276.399 3.161 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCCCC13CC[NH2+]CC3)C2 ZINC001235189871 819030561 /nfs/dbraw/zinc/03/05/61/819030561.db2.gz GECIEXCLLJPJCL-UHFFFAOYSA-N 2 1 284.447 3.010 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235253095 819050278 /nfs/dbraw/zinc/05/02/78/819050278.db2.gz BUWIFPVMGMIVBM-ARFHVFGLSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c(C)c1C ZINC001235264500 819056757 /nfs/dbraw/zinc/05/67/57/819056757.db2.gz YJLFETYRYDTQCM-WMZOPIPTSA-N 2 1 272.436 3.022 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c(C)c1C ZINC001235264500 819056766 /nfs/dbraw/zinc/05/67/66/819056766.db2.gz YJLFETYRYDTQCM-WMZOPIPTSA-N 2 1 272.436 3.022 20 0 CGADMP Cc1ncc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)s1 ZINC001243382181 823382869 /nfs/dbraw/zinc/38/28/69/823382869.db2.gz ZLXKTOSRNQGXML-UHFFFAOYSA-N 2 1 287.432 3.042 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)cc4)cc3)C[C@@H]12 ZINC001235283831 819061655 /nfs/dbraw/zinc/06/16/55/819061655.db2.gz GWRSWDURYZQENT-BCDXTJNWSA-N 2 1 298.817 3.396 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349665 819077011 /nfs/dbraw/zinc/07/70/11/819077011.db2.gz SXTGQVGBPKEIBO-CGTJXYLNSA-N 2 1 272.436 3.112 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001235401724 819086310 /nfs/dbraw/zinc/08/63/10/819086310.db2.gz HJDDOOSWYXXQNV-QAETUUGQSA-N 2 1 280.431 3.002 20 0 CGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235401426 819086704 /nfs/dbraw/zinc/08/67/04/819086704.db2.gz GOKYVKNJUVVXFY-ROUUACIJSA-N 2 1 288.410 3.088 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235407483 819088365 /nfs/dbraw/zinc/08/83/65/819088365.db2.gz SMTCHYMUOGQDOG-BBWFWOEESA-N 2 1 282.447 3.392 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235420684 819091378 /nfs/dbraw/zinc/09/13/78/819091378.db2.gz AGFKPHUEHBHBQI-HZPDHXFCSA-N 2 1 290.426 3.346 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C2 ZINC001235426298 819092336 /nfs/dbraw/zinc/09/23/36/819092336.db2.gz OQRMXXNCBGJRMH-PMACEKPBSA-N 2 1 298.474 3.113 20 0 CGADMP Fc1cccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235428227 819094945 /nfs/dbraw/zinc/09/49/45/819094945.db2.gz UODXNGHXSOVPCY-IAGOWNOFSA-N 2 1 290.426 3.080 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1Cl ZINC001235433823 819096670 /nfs/dbraw/zinc/09/66/70/819096670.db2.gz RWNUZIPKDAZELT-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1F ZINC001235432629 819096698 /nfs/dbraw/zinc/09/66/98/819096698.db2.gz OMLRALXKFCCZSX-UHFFFAOYSA-N 2 1 284.806 3.219 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001235445676 819101121 /nfs/dbraw/zinc/10/11/21/819101121.db2.gz SUFHUQUDWWBLFB-INIZCTEOSA-N 2 1 276.399 3.224 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663110 819131569 /nfs/dbraw/zinc/13/15/69/819131569.db2.gz QRYSGYGCTBECRQ-HOCLYGCPSA-N 2 1 296.405 3.389 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663110 819131571 /nfs/dbraw/zinc/13/15/71/819131571.db2.gz QRYSGYGCTBECRQ-HOCLYGCPSA-N 2 1 296.405 3.389 20 0 CGADMP CCCC[N@@H+](CCC)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235663092 819131898 /nfs/dbraw/zinc/13/18/98/819131898.db2.gz QKKBDMMCAMXIGA-UHFFFAOYSA-N 2 1 289.467 3.108 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001235673191 819133702 /nfs/dbraw/zinc/13/37/02/819133702.db2.gz CWGYNCJXORRFLA-MOPGFXCFSA-N 2 1 280.415 3.394 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001235673191 819133704 /nfs/dbraw/zinc/13/37/04/819133704.db2.gz CWGYNCJXORRFLA-MOPGFXCFSA-N 2 1 280.415 3.394 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@H]1C ZINC001235694793 819143727 /nfs/dbraw/zinc/14/37/27/819143727.db2.gz KKPDBASONBFQKE-CABCVRRESA-N 2 1 297.446 3.365 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235712343 819149023 /nfs/dbraw/zinc/14/90/23/819149023.db2.gz AJYDFNXHFWHIJJ-MRXNPFEDSA-N 2 1 298.515 3.275 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235715948 819150182 /nfs/dbraw/zinc/15/01/82/819150182.db2.gz ZCKUBOVMDRYCDM-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)Cc1ccc(C[NH3+])cc1 ZINC001235838875 819180817 /nfs/dbraw/zinc/18/08/17/819180817.db2.gz DALQRWKSOVLBPE-UHFFFAOYSA-N 2 1 288.822 3.473 20 0 CGADMP Cc1ccc(CC[N@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235840269 819182228 /nfs/dbraw/zinc/18/22/28/819182228.db2.gz HKNYROYCSHPTAJ-UHFFFAOYSA-N 2 1 294.442 3.315 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCc1ccccc1Cl ZINC001235925756 819225127 /nfs/dbraw/zinc/22/51/27/819225127.db2.gz ZNWNEQBQUXRYST-AWEZNQCLSA-N 2 1 266.816 3.086 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235930983 819229060 /nfs/dbraw/zinc/22/90/60/819229060.db2.gz YXULMHMRTZLMDH-YESZJQIVSA-N 2 1 264.457 3.300 20 0 CGADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235934525 819231429 /nfs/dbraw/zinc/23/14/29/819231429.db2.gz BJLGRKUJKVWKAY-NWDGAFQWSA-N 2 1 296.867 3.103 20 0 CGADMP CSc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235934525 819231434 /nfs/dbraw/zinc/23/14/34/819231434.db2.gz BJLGRKUJKVWKAY-NWDGAFQWSA-N 2 1 296.867 3.103 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)o1 ZINC001235937495 819232923 /nfs/dbraw/zinc/23/29/23/819232923.db2.gz IFIZVNZQENBHBX-ROUUACIJSA-N 2 1 296.414 3.296 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001235950131 819239473 /nfs/dbraw/zinc/23/94/73/819239473.db2.gz RATASFVVYVOBIM-CQSZACIVSA-N 2 1 266.816 3.258 20 0 CGADMP c1ccc([C@@H]2CC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235950063 819240604 /nfs/dbraw/zinc/24/06/04/819240604.db2.gz ZLDJGLSLFLZTMS-IBGZPJMESA-N 2 1 278.399 3.279 20 0 CGADMP C[N@@H+](CC1CC2(C1)CC[NH2+]CC2)CC1CCCCC1 ZINC001235960149 819247489 /nfs/dbraw/zinc/24/74/89/819247489.db2.gz GUSORLCCMXPQPY-UHFFFAOYSA-N 2 1 264.457 3.278 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001235958846 819248172 /nfs/dbraw/zinc/24/81/72/819248172.db2.gz BFXHTVPWOUCLCS-RDJZCZTQSA-N 2 1 260.425 3.459 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001236009425 819274291 /nfs/dbraw/zinc/27/42/91/819274291.db2.gz YRASXYVLXHWCHL-MRXNPFEDSA-N 2 1 285.435 3.235 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001236009425 819274296 /nfs/dbraw/zinc/27/42/96/819274296.db2.gz YRASXYVLXHWCHL-MRXNPFEDSA-N 2 1 285.435 3.235 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)Cc1cccc(C[NH3+])c1 ZINC001236042597 819280742 /nfs/dbraw/zinc/28/07/42/819280742.db2.gz QCLYKCDYPWENAT-UHFFFAOYSA-N 2 1 272.367 3.307 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001236045052 819282441 /nfs/dbraw/zinc/28/24/41/819282441.db2.gz RVUGKJUXEXYZKO-SHPPOPEUSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001236045052 819282448 /nfs/dbraw/zinc/28/24/48/819282448.db2.gz RVUGKJUXEXYZKO-SHPPOPEUSA-N 2 1 278.827 3.113 20 0 CGADMP Clc1cccc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC001236078694 819304764 /nfs/dbraw/zinc/30/47/64/819304764.db2.gz LHGCNBCYDRJSNB-CYBMUJFWSA-N 2 1 278.827 3.088 20 0 CGADMP CCC[N@@H+](CC1(C)CCCCC1)C1CC[NH2+]CC1 ZINC001236180542 819360044 /nfs/dbraw/zinc/36/00/44/819360044.db2.gz LZQKAAUBNNPIJA-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001236190342 819363564 /nfs/dbraw/zinc/36/35/64/819363564.db2.gz VZYYXGHBWREJGM-KBXCAEBGSA-N 2 1 283.419 3.304 20 0 CGADMP CC[N@@H+](CCCCC[NH3+])Cc1cccc(Cl)c1 ZINC001236193468 819363956 /nfs/dbraw/zinc/36/39/56/819363956.db2.gz KZRHTZWESPVXEZ-UHFFFAOYSA-N 2 1 254.805 3.291 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC001236200019 819366549 /nfs/dbraw/zinc/36/65/49/819366549.db2.gz HMZNATAJTMDZDT-QGZVFWFLSA-N 2 1 260.425 3.186 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC001236200019 819366553 /nfs/dbraw/zinc/36/65/53/819366553.db2.gz HMZNATAJTMDZDT-QGZVFWFLSA-N 2 1 260.425 3.186 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211817 819373998 /nfs/dbraw/zinc/37/39/98/819373998.db2.gz JJUYABBKCTZWLU-GOEBONIOSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211817 819374006 /nfs/dbraw/zinc/37/40/06/819374006.db2.gz JJUYABBKCTZWLU-GOEBONIOSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1ccc2cccccc1-2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213645 819376808 /nfs/dbraw/zinc/37/68/08/819376808.db2.gz CQDBYUUUKVLZIM-ZWKOTPCHSA-N 2 1 268.404 3.493 20 0 CGADMP CCOc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1C ZINC001236215423 819377638 /nfs/dbraw/zinc/37/76/38/819377638.db2.gz HYDQQUCZFAXBSY-HOTGVXAUSA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1C ZINC001236215423 819377645 /nfs/dbraw/zinc/37/76/45/819377645.db2.gz HYDQQUCZFAXBSY-HOTGVXAUSA-N 2 1 276.424 3.095 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220167 819386475 /nfs/dbraw/zinc/38/64/75/819386475.db2.gz YLULBIQXZPUQCE-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220167 819386482 /nfs/dbraw/zinc/38/64/82/819386482.db2.gz YLULBIQXZPUQCE-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP C[N@@H+](Cc1cccc2c1CCCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223789 819389107 /nfs/dbraw/zinc/38/91/07/819389107.db2.gz PCCWISYGHFDLIX-QAQDUYKDSA-N 2 1 272.436 3.267 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001236242618 819401482 /nfs/dbraw/zinc/40/14/82/819401482.db2.gz BJAMVIHNVYGKGC-CYBMUJFWSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001236242618 819401486 /nfs/dbraw/zinc/40/14/86/819401486.db2.gz BJAMVIHNVYGKGC-CYBMUJFWSA-N 2 1 286.341 3.061 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236244266 819402854 /nfs/dbraw/zinc/40/28/54/819402854.db2.gz JLFBEGFEQZVJLE-CRAIPNDOSA-N 2 1 274.452 3.412 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236244266 819402857 /nfs/dbraw/zinc/40/28/57/819402857.db2.gz JLFBEGFEQZVJLE-CRAIPNDOSA-N 2 1 274.452 3.412 20 0 CGADMP c1ccc(C[N@H+](CC2CCCC2)C2CC[NH2+]CC2)cc1 ZINC001236288203 819413638 /nfs/dbraw/zinc/41/36/38/819413638.db2.gz XNSWMPMEGLIYSZ-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP COc1cccc(C[C@H]2CCC[N@@H+](CCCCC[NH3+])C2)c1 ZINC001236303686 819417243 /nfs/dbraw/zinc/41/72/43/819417243.db2.gz DRMGICGBIITYSF-QGZVFWFLSA-N 2 1 290.451 3.079 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236316331 819421685 /nfs/dbraw/zinc/42/16/85/819421685.db2.gz QZUXKVSCQHKSRI-BETUJISGSA-N 2 1 296.817 3.219 20 0 CGADMP Fc1ccc2occ(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236319471 819423482 /nfs/dbraw/zinc/42/34/82/819423482.db2.gz AQBPLSJULIPUOS-BETUJISGSA-N 2 1 288.366 3.003 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321733 819424387 /nfs/dbraw/zinc/42/43/87/819424387.db2.gz LXHVCKWDYPTULE-IYBDPMFKSA-N 2 1 272.436 3.241 20 0 CGADMP FC(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236321115 819424608 /nfs/dbraw/zinc/42/46/08/819424608.db2.gz WLRCNRPLXJHGPQ-GASCZTMLSA-N 2 1 280.362 3.056 20 0 CGADMP CC(C)C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236379533 819442607 /nfs/dbraw/zinc/44/26/07/819442607.db2.gz BPKFSDPKZNFBPR-UHFFFAOYSA-N 2 1 278.415 3.283 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236409439 819456087 /nfs/dbraw/zinc/45/60/87/819456087.db2.gz UVKWFVAYNUBRFX-OAHLLOKOSA-N 2 1 285.435 3.093 20 0 CGADMP CC[N@@H+](Cc1cc(C)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236410637 819457696 /nfs/dbraw/zinc/45/76/96/819457696.db2.gz ILKWNUPYKNAKDF-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1cc(C)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236410637 819457698 /nfs/dbraw/zinc/45/76/98/819457698.db2.gz ILKWNUPYKNAKDF-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP COc1cccc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236411895 819459044 /nfs/dbraw/zinc/45/90/44/819459044.db2.gz QDOPPUXIOOKPOP-IAGOWNOFSA-N 2 1 288.435 3.017 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@](F)(C[NH3+])C2)cc1 ZINC001236433715 819477145 /nfs/dbraw/zinc/47/71/45/819477145.db2.gz HNTRPXOTVMTWJT-QAPCUYQASA-N 2 1 292.442 3.361 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236441849 819480699 /nfs/dbraw/zinc/48/06/99/819480699.db2.gz WBGLQOXYPWFOIK-HNNXBMFYSA-N 2 1 290.451 3.295 20 0 CGADMP COc1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457477 819486146 /nfs/dbraw/zinc/48/61/46/819486146.db2.gz LLBSOJBSMUHHRH-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP Cc1c(O)cccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458562 819486576 /nfs/dbraw/zinc/48/65/76/819486576.db2.gz WZNRLFUCOWVJCT-UHFFFAOYSA-N 2 1 290.451 3.301 20 0 CGADMP CCCC[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236489167 819500871 /nfs/dbraw/zinc/50/08/71/819500871.db2.gz JHPPMSBPFGHGRF-UHFFFAOYSA-N 2 1 278.415 3.488 20 0 CGADMP CCCC[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236489167 819500873 /nfs/dbraw/zinc/50/08/73/819500873.db2.gz JHPPMSBPFGHGRF-UHFFFAOYSA-N 2 1 278.415 3.488 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236500126 819506253 /nfs/dbraw/zinc/50/62/53/819506253.db2.gz VUGGUTNBWVASFN-TZMCWYRMSA-N 2 1 294.389 3.175 20 0 CGADMP c1ccc(C2(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)CC2)cc1 ZINC001236584730 819546140 /nfs/dbraw/zinc/54/61/40/819546140.db2.gz RIDDIYMAZLDBTB-MRXNPFEDSA-N 2 1 284.447 3.182 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599272 819548800 /nfs/dbraw/zinc/54/88/00/819548800.db2.gz BDNYERBZPVNTGR-ZDUSSCGKSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599272 819548804 /nfs/dbraw/zinc/54/88/04/819548804.db2.gz BDNYERBZPVNTGR-ZDUSSCGKSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)c1OC(C)C ZINC001236615412 819554046 /nfs/dbraw/zinc/55/40/46/819554046.db2.gz HNJYLEVCYRYQNH-SFHVURJKSA-N 2 1 290.451 3.261 20 0 CGADMP CC/C=C\CCC[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634796 819557090 /nfs/dbraw/zinc/55/70/90/819557090.db2.gz XWYKKOGWTWRYET-ARJAWSKDSA-N 2 1 250.430 3.339 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C(F)(F)F)c1 ZINC001236832722 819611493 /nfs/dbraw/zinc/61/14/93/819611493.db2.gz XFZMKKIDSYHVKB-AEGPPILISA-N 2 1 298.352 3.183 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C(F)(F)F)c1 ZINC001236832722 819611497 /nfs/dbraw/zinc/61/14/97/819611497.db2.gz XFZMKKIDSYHVKB-AEGPPILISA-N 2 1 298.352 3.183 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237057401 819656673 /nfs/dbraw/zinc/65/66/73/819656673.db2.gz MCULZENFKPSREK-GOSISDBHSA-N 2 1 285.435 3.222 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237060337 819657214 /nfs/dbraw/zinc/65/72/14/819657214.db2.gz ZYDPHBFDFAJIKT-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083157 819663331 /nfs/dbraw/zinc/66/33/31/819663331.db2.gz WKCZKZSSMVDFME-IBGZPJMESA-N 2 1 298.430 3.409 20 0 CGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001237082820 819664204 /nfs/dbraw/zinc/66/42/04/819664204.db2.gz TXRHZVQBRVYLSC-MQVJKMGUSA-N 2 1 250.430 3.159 20 0 CGADMP c1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc2c1CCC2 ZINC001237146465 819678711 /nfs/dbraw/zinc/67/87/11/819678711.db2.gz RPPDTNWGWUXJNU-LJQANCHMSA-N 2 1 284.447 3.282 20 0 CGADMP c1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc2c1CCC2 ZINC001237146465 819678714 /nfs/dbraw/zinc/67/87/14/819678714.db2.gz RPPDTNWGWUXJNU-LJQANCHMSA-N 2 1 284.447 3.282 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001237186956 819690788 /nfs/dbraw/zinc/69/07/88/819690788.db2.gz AGKTVPFBCSLLFT-MQMHXKEQSA-N 2 1 278.465 3.404 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237194663 819696278 /nfs/dbraw/zinc/69/62/78/819696278.db2.gz OGFAUNPFLLDVLC-AEFFLSMTSA-N 2 1 280.415 3.175 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237194663 819696281 /nfs/dbraw/zinc/69/62/81/819696281.db2.gz OGFAUNPFLLDVLC-AEFFLSMTSA-N 2 1 280.415 3.175 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237194663 819696287 /nfs/dbraw/zinc/69/62/87/819696287.db2.gz OGFAUNPFLLDVLC-AEFFLSMTSA-N 2 1 280.415 3.175 20 0 CGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC001237258069 819710227 /nfs/dbraw/zinc/71/02/27/819710227.db2.gz KAZPDAJQPPVEHN-LJQANCHMSA-N 2 1 278.399 3.409 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1(C)C ZINC001237374711 819736334 /nfs/dbraw/zinc/73/63/34/819736334.db2.gz ILOQHTGCPQEUHG-BRWVUGGUSA-N 2 1 276.468 3.443 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1(C)C ZINC001237374711 819736337 /nfs/dbraw/zinc/73/63/37/819736337.db2.gz ILOQHTGCPQEUHG-BRWVUGGUSA-N 2 1 276.468 3.443 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381609 819738020 /nfs/dbraw/zinc/73/80/20/819738020.db2.gz JFJPANNYVYTFEQ-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2n1 ZINC001237404300 819745109 /nfs/dbraw/zinc/74/51/09/819745109.db2.gz NWPRQCYBKJHDFT-MSOLQXFVSA-N 2 1 295.430 3.117 20 0 CGADMP c1cc(C2CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237412122 819747417 /nfs/dbraw/zinc/74/74/17/819747417.db2.gz FYEJEYDVMHBBAQ-ZWKOTPCHSA-N 2 1 270.420 3.138 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C(C)C)c3)C[C@H]2C1 ZINC001237460080 819755588 /nfs/dbraw/zinc/75/55/88/819755588.db2.gz HDFXTSKABIYRIK-QZTJIDSGSA-N 2 1 272.436 3.194 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+](C)CCC[NH+]3CCCC3)c12 ZINC001237634173 819793352 /nfs/dbraw/zinc/79/33/52/819793352.db2.gz UFGOFHGUGSOZTQ-UHFFFAOYSA-N 2 1 297.446 3.461 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+](C)CC3CC[NH+](C)CC3)c12 ZINC001237634814 819794179 /nfs/dbraw/zinc/79/41/79/819794179.db2.gz XSEHBPQMZHZXFC-UHFFFAOYSA-N 2 1 297.446 3.317 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112106 819935337 /nfs/dbraw/zinc/93/53/37/819935337.db2.gz BKFYLBKRKOBDDJ-CQSZACIVSA-N 2 1 295.361 3.463 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112106 819935342 /nfs/dbraw/zinc/93/53/42/819935342.db2.gz BKFYLBKRKOBDDJ-CQSZACIVSA-N 2 1 295.361 3.463 20 0 CGADMP Cc1cc(N2CCCCC2)[nH+]cc1C1=CCC[NH2+]CC1 ZINC001238941140 820162897 /nfs/dbraw/zinc/16/28/97/820162897.db2.gz ICSIUXUAYVDBSG-UHFFFAOYSA-N 2 1 271.408 3.147 20 0 CGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(C2=CC[NH2+]CC2)nc1 ZINC001240466534 821075099 /nfs/dbraw/zinc/07/50/99/821075099.db2.gz NOBMDGJLGKCXOQ-QGZVFWFLSA-N 2 1 271.408 3.005 20 0 CGADMP CSc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241314612 821724686 /nfs/dbraw/zinc/72/46/86/821724686.db2.gz RXCZXDXLABCNRP-UHFFFAOYSA-N 2 1 295.411 3.410 20 0 CGADMP C[C@H]([NH3+])c1cccc(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001241994104 822263211 /nfs/dbraw/zinc/26/32/11/822263211.db2.gz QHNAXAMYLHRQBS-HNNXBMFYSA-N 2 1 296.414 3.206 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccccc1C1CC[NH2+]CC1 ZINC001242095732 822351518 /nfs/dbraw/zinc/35/15/18/822351518.db2.gz NLBLNXOPFOARDO-UHFFFAOYSA-N 2 1 267.376 3.106 20 0 CGADMP C[N@@H+](CCCC(F)(F)F)CC[C@@H]1CCCC[NH+]1C ZINC001342780245 936479009 /nfs/dbraw/zinc/47/90/09/936479009.db2.gz UDAJEDOXWOEEAI-LBPRGKRZSA-N 2 1 266.351 3.135 20 0 CGADMP C[NH+](CCCC(F)(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC001342780245 936479011 /nfs/dbraw/zinc/47/90/11/936479011.db2.gz UDAJEDOXWOEEAI-LBPRGKRZSA-N 2 1 266.351 3.135 20 0 CGADMP C[NH+](CCCC(F)(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC001342780245 936479013 /nfs/dbraw/zinc/47/90/13/936479013.db2.gz UDAJEDOXWOEEAI-LBPRGKRZSA-N 2 1 266.351 3.135 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC001343904702 936517999 /nfs/dbraw/zinc/51/79/99/936517999.db2.gz GRBQMWUIOVGCIG-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC001343904702 936518001 /nfs/dbraw/zinc/51/80/01/936518001.db2.gz GRBQMWUIOVGCIG-ZFWWWQNUSA-N 2 1 264.413 3.279 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccccc2N2CCCC2)CCCCC1 ZINC001348514744 936924341 /nfs/dbraw/zinc/92/43/41/936924341.db2.gz GQCOVBNJRKMSTR-UHFFFAOYSA-N 2 1 287.451 3.038 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC001351288905 937013938 /nfs/dbraw/zinc/01/39/38/937013938.db2.gz RMKAPVIBBHAEPM-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC001351288905 937013941 /nfs/dbraw/zinc/01/39/41/937013941.db2.gz RMKAPVIBBHAEPM-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC001351288893 937014419 /nfs/dbraw/zinc/01/44/19/937014419.db2.gz RMKAPVIBBHAEPM-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC001351288893 937014422 /nfs/dbraw/zinc/01/44/22/937014422.db2.gz RMKAPVIBBHAEPM-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001354019885 937086502 /nfs/dbraw/zinc/08/65/02/937086502.db2.gz XIAVOVSAYFWVSL-JKSUJKDBSA-N 2 1 273.424 3.172 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001355263273 937132836 /nfs/dbraw/zinc/13/28/36/937132836.db2.gz JMFGRVVUZPFBMT-CNFGXJBXSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001355263273 937132840 /nfs/dbraw/zinc/13/28/40/937132840.db2.gz JMFGRVVUZPFBMT-CNFGXJBXSA-N 2 1 294.389 3.283 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@@H]2C1 ZINC001355372755 937138548 /nfs/dbraw/zinc/13/85/48/937138548.db2.gz FUPUARFCTFRIOD-AEGPPILISA-N 2 1 294.389 3.127 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H]2CCCC[C@@H]12 ZINC001474382586 937204994 /nfs/dbraw/zinc/20/49/94/937204994.db2.gz FOPLDSPDTKRVGZ-PVAVHDDUSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCC2(CCC2)O1 ZINC001459580666 937492511 /nfs/dbraw/zinc/49/25/11/937492511.db2.gz NVIXTVDPUMBTOG-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCC2(CCC2)O1 ZINC001459580666 937492513 /nfs/dbraw/zinc/49/25/13/937492513.db2.gz NVIXTVDPUMBTOG-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCC2(CCC2)O1 ZINC001459580666 937492515 /nfs/dbraw/zinc/49/25/15/937492515.db2.gz NVIXTVDPUMBTOG-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCC2(CCC2)O1 ZINC001459580666 937492517 /nfs/dbraw/zinc/49/25/17/937492517.db2.gz NVIXTVDPUMBTOG-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)CC1CCCC1 ZINC001460694016 937540456 /nfs/dbraw/zinc/54/04/56/937540456.db2.gz TXKNATYQPJMRPP-GOSISDBHSA-N 2 1 296.499 3.126 20 0 CGADMP CN1C[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862772 937549950 /nfs/dbraw/zinc/54/99/50/937549950.db2.gz IKLWUDOCEZVFKF-JLZZUVOBSA-N 2 1 290.838 3.211 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862772 937549951 /nfs/dbraw/zinc/54/99/51/937549951.db2.gz IKLWUDOCEZVFKF-JLZZUVOBSA-N 2 1 290.838 3.211 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862772 937549954 /nfs/dbraw/zinc/54/99/54/937549954.db2.gz IKLWUDOCEZVFKF-JLZZUVOBSA-N 2 1 290.838 3.211 20 0 CGADMP C[N@H+]1C[C@]23C[NH+](CCC4CCCC4)C[C@@]2(C1)CCCC3 ZINC001460981520 937558068 /nfs/dbraw/zinc/55/80/68/937558068.db2.gz XRFHQVKPXGCZRX-HDICACEKSA-N 2 1 276.468 3.375 20 0 CGADMP C[NH+]1C[C@]23C[N@H+](CCC4CCCC4)C[C@@]2(C1)CCCC3 ZINC001460981520 937558069 /nfs/dbraw/zinc/55/80/69/937558069.db2.gz XRFHQVKPXGCZRX-HDICACEKSA-N 2 1 276.468 3.375 20 0 CGADMP C[NH+]1C[C@]23C[N@@H+](CCC4CCCC4)C[C@@]2(C1)CCCC3 ZINC001460981520 937558070 /nfs/dbraw/zinc/55/80/70/937558070.db2.gz XRFHQVKPXGCZRX-HDICACEKSA-N 2 1 276.468 3.375 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001461122916 937565372 /nfs/dbraw/zinc/56/53/72/937565372.db2.gz UHOJNTLCPJYBGG-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001461261180 937572662 /nfs/dbraw/zinc/57/26/62/937572662.db2.gz WXIBSNWAHBTVSJ-RCCFBDPRSA-N 2 1 294.483 3.188 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001461261180 937572665 /nfs/dbraw/zinc/57/26/65/937572665.db2.gz WXIBSNWAHBTVSJ-RCCFBDPRSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@H+]1CCC[C@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC001229622059 932180321 /nfs/dbraw/zinc/18/03/21/932180321.db2.gz LFOHMAQGVXNXKY-PBHICJAKSA-N 2 1 276.424 3.172 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC001461365874 937578062 /nfs/dbraw/zinc/57/80/62/937578062.db2.gz SYNPVZRYBQXDSG-ARFHVFGLSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)[C@@H]2C1 ZINC001461826093 937599909 /nfs/dbraw/zinc/59/99/09/937599909.db2.gz CXHXFGDHBBQRMM-QTUASDBPSA-N 2 1 299.462 3.038 20 0 CGADMP CCC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC ZINC001461955199 937608569 /nfs/dbraw/zinc/60/85/69/937608569.db2.gz IFEJSKLAWNGDMP-MSOLQXFVSA-N 2 1 296.499 3.390 20 0 CGADMP CS[C@@H]1CC[C@H]([N@@H+](C)CCCCn2ccnc2C)C1 ZINC001335286895 932775307 /nfs/dbraw/zinc/77/53/07/932775307.db2.gz TVLXIUHVKSLWGB-LSDHHAIUSA-N 2 1 281.469 3.188 20 0 CGADMP CS[C@@H]1CC[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC001335286895 932775311 /nfs/dbraw/zinc/77/53/11/932775311.db2.gz TVLXIUHVKSLWGB-LSDHHAIUSA-N 2 1 281.469 3.188 20 0 CGADMP CS[C@@H]1CC[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC001335286895 932775316 /nfs/dbraw/zinc/77/53/16/932775316.db2.gz TVLXIUHVKSLWGB-LSDHHAIUSA-N 2 1 281.469 3.188 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001308195545 933070309 /nfs/dbraw/zinc/07/03/09/933070309.db2.gz KQEFHEZBIXDLED-UHFFFAOYSA-N 2 1 274.452 3.385 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001308202503 933073072 /nfs/dbraw/zinc/07/30/72/933073072.db2.gz FMVMOMPCQZMISC-BZSNNMDCSA-N 2 1 296.499 3.290 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC001308232305 933076741 /nfs/dbraw/zinc/07/67/41/933076741.db2.gz RLKGJHDETPKBFK-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CCCC1CCC(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001308256400 933082662 /nfs/dbraw/zinc/08/26/62/933082662.db2.gz NEOJRJYMVYVKMN-ZGUYJTEBSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC1CCC(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001308256400 933082668 /nfs/dbraw/zinc/08/26/68/933082668.db2.gz NEOJRJYMVYVKMN-ZGUYJTEBSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ncc(C(C)C)s1 ZINC001308283403 933088086 /nfs/dbraw/zinc/08/80/86/933088086.db2.gz XLFGXPJQNIJXTE-UHFFFAOYSA-N 2 1 292.452 3.341 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)[C@H]2C1 ZINC001308554608 933132031 /nfs/dbraw/zinc/13/20/31/933132031.db2.gz QBYFWOIVAOUASE-HRCADAONSA-N 2 1 264.457 3.133 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC001308671562 933153840 /nfs/dbraw/zinc/15/38/40/933153840.db2.gz XVYZNOUSIJBEJP-MAUKXSAKSA-N 2 1 287.451 3.196 20 0 CGADMP Cc1ccc(CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC001308690081 933159084 /nfs/dbraw/zinc/15/90/84/933159084.db2.gz ZXHHGIQUYYRHID-SFHVURJKSA-N 2 1 274.452 3.262 20 0 CGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H](C)C(C)(C)C ZINC001308741724 933168251 /nfs/dbraw/zinc/16/82/51/933168251.db2.gz XBDHAQAGWKFNCU-SJORKVTESA-N 2 1 297.531 3.017 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001308815927 933182844 /nfs/dbraw/zinc/18/28/44/933182844.db2.gz RYBFVFJHODMNTI-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001308815927 933182848 /nfs/dbraw/zinc/18/28/48/933182848.db2.gz RYBFVFJHODMNTI-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)[C@H](C)C1 ZINC001319377242 933866448 /nfs/dbraw/zinc/86/64/48/933866448.db2.gz LLARNZPTPXZTGT-SJLPKXTDSA-N 2 1 290.451 3.166 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccccc1 ZINC001320901644 934121945 /nfs/dbraw/zinc/12/19/45/934121945.db2.gz XNOWFYHBVSFHBG-OIISXLGYSA-N 2 1 260.425 3.253 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323534108 934405332 /nfs/dbraw/zinc/40/53/32/934405332.db2.gz ISFVJBCEZCTBFV-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323534108 934405334 /nfs/dbraw/zinc/40/53/34/934405334.db2.gz ISFVJBCEZCTBFV-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323534108 934405338 /nfs/dbraw/zinc/40/53/38/934405338.db2.gz ISFVJBCEZCTBFV-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323534108 934405342 /nfs/dbraw/zinc/40/53/42/934405342.db2.gz ISFVJBCEZCTBFV-KBXCAEBGSA-N 2 1 290.426 3.477 20 0 CGADMP CCC[C@H](C)CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001473725404 937819385 /nfs/dbraw/zinc/81/93/85/937819385.db2.gz OHZSNRGEGCOEIJ-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001473725404 937819387 /nfs/dbraw/zinc/81/93/87/937819387.db2.gz OHZSNRGEGCOEIJ-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001473725404 937819389 /nfs/dbraw/zinc/81/93/89/937819389.db2.gz OHZSNRGEGCOEIJ-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001473725404 937819391 /nfs/dbraw/zinc/81/93/91/937819391.db2.gz OHZSNRGEGCOEIJ-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC001327841343 935089718 /nfs/dbraw/zinc/08/97/18/935089718.db2.gz VXGYXEOBSBIDQC-NXEZZACHSA-N 2 1 290.329 3.076 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@@H](C)[NH2+]C ZINC001329023009 935179765 /nfs/dbraw/zinc/17/97/65/935179765.db2.gz JBBKXYKPAOFOPT-NEPJUHHUSA-N 2 1 284.831 3.387 20 0 CGADMP c1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC001333924498 936075743 /nfs/dbraw/zinc/07/57/43/936075743.db2.gz PWMURWLHNKMVDH-CVEARBPZSA-N 2 1 296.418 3.279 20 0 CGADMP C[C@H]([NH2+]CC1CC(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001334765987 936111989 /nfs/dbraw/zinc/11/19/89/936111989.db2.gz FJGVIUDGLWBRAO-BHDPWAOGSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]([NH2+]CC1CC(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001334765988 936112027 /nfs/dbraw/zinc/11/20/27/936112027.db2.gz FJGVIUDGLWBRAO-GRAKBVBRSA-N 2 1 264.457 3.275 20 0 CGADMP CO[C@H](C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccc(F)cc1 ZINC001337838341 936293425 /nfs/dbraw/zinc/29/34/25/936293425.db2.gz NWFQXRSNXXVBEX-HZPDHXFCSA-N 2 1 296.430 3.256 20 0 CGADMP CCc1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)[nH+]c1 ZINC001337920473 936298494 /nfs/dbraw/zinc/29/84/94/936298494.db2.gz JVOGRWSJEOMWPG-UHFFFAOYSA-N 2 1 296.418 3.368 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2Cl)C1 ZINC001473957423 937832133 /nfs/dbraw/zinc/83/21/33/937832133.db2.gz OPKWUBFDZDVUBQ-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2Cl)C1 ZINC001473957423 937832134 /nfs/dbraw/zinc/83/21/34/937832134.db2.gz OPKWUBFDZDVUBQ-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C)CC1CCCCC1 ZINC001473966591 937832645 /nfs/dbraw/zinc/83/26/45/937832645.db2.gz OUGISSXRYJDUEJ-CQSZACIVSA-N 2 1 263.429 3.388 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C1 ZINC001473964589 937832806 /nfs/dbraw/zinc/83/28/06/937832806.db2.gz FQNWYURVPFONPO-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC001473964864 937832931 /nfs/dbraw/zinc/83/29/31/937832931.db2.gz OWPCISCNPJBMME-CQSZACIVSA-N 2 1 266.454 3.186 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C2CCCC2)CC1(C)C ZINC001474301184 937849227 /nfs/dbraw/zinc/84/92/27/937849227.db2.gz HAPUONJDIMMIHC-HRCADAONSA-N 2 1 264.457 3.275 20 0 CGADMP CCCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001474302060 937849747 /nfs/dbraw/zinc/84/97/47/937849747.db2.gz RWKYEXBFGRTYNE-SSNHOHEISA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@@](C)(C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339265 937852413 /nfs/dbraw/zinc/85/24/13/937852413.db2.gz HDDGLRDLKPVJTN-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001474360843 937854032 /nfs/dbraw/zinc/85/40/32/937854032.db2.gz GOFQRBRXUFENOG-HOCLYGCPSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC001474612208 937870304 /nfs/dbraw/zinc/87/03/04/937870304.db2.gz CNWNETQTLOMIBJ-HZPDHXFCSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001549037752 938154642 /nfs/dbraw/zinc/15/46/42/938154642.db2.gz ZZJIKRRPIHBWQB-VJANTYMQSA-N 2 1 286.463 3.356 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001550354220 938165650 /nfs/dbraw/zinc/16/56/50/938165650.db2.gz YQVNMPKQUNVOLI-SQWLQELKSA-N 2 1 270.436 3.354 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC001550353773 938166180 /nfs/dbraw/zinc/16/61/80/938166180.db2.gz RLFCGGQQWIEIOE-SRABZTEZSA-N 2 1 258.409 3.197 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542900 938167432 /nfs/dbraw/zinc/16/74/32/938167432.db2.gz AIYMNXZQYRGAHB-REUDQUMMSA-N 2 1 290.838 3.237 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](C/C=C/c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542900 938167433 /nfs/dbraw/zinc/16/74/33/938167433.db2.gz AIYMNXZQYRGAHB-REUDQUMMSA-N 2 1 290.838 3.237 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C/c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542900 938167434 /nfs/dbraw/zinc/16/74/34/938167434.db2.gz AIYMNXZQYRGAHB-REUDQUMMSA-N 2 1 290.838 3.237 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543230 938167786 /nfs/dbraw/zinc/16/77/86/938167786.db2.gz JTQIPVKGPIPZHA-AGIUHOORSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543230 938167787 /nfs/dbraw/zinc/16/77/87/938167787.db2.gz JTQIPVKGPIPZHA-AGIUHOORSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550543230 938167788 /nfs/dbraw/zinc/16/77/88/938167788.db2.gz JTQIPVKGPIPZHA-AGIUHOORSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550543230 938167789 /nfs/dbraw/zinc/16/77/89/938167789.db2.gz JTQIPVKGPIPZHA-AGIUHOORSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)CC[C@H]1[NH3+] ZINC001552411997 938192005 /nfs/dbraw/zinc/19/20/05/938192005.db2.gz AMQJNEAXGOQMKL-XYVMCAHJSA-N 2 1 272.436 3.239 20 0 CGADMP CCCC[C@H](CC)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043956 938242395 /nfs/dbraw/zinc/24/23/95/938242395.db2.gz PHYYPHKDVULEDL-ULQDDVLXSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001560155681 938245474 /nfs/dbraw/zinc/24/54/74/938245474.db2.gz RPPDLLAABOZZLU-OAHLLOKOSA-N 2 1 261.413 3.028 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC001560298035 938251806 /nfs/dbraw/zinc/25/18/06/938251806.db2.gz WUMGPEMRZCKNFP-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC(C)(C)C1 ZINC001560621833 938266006 /nfs/dbraw/zinc/26/60/06/938266006.db2.gz BLGDNMCXFSJJQD-XFIYOXNOSA-N 2 1 264.457 3.131 20 0 CGADMP CNc1ccccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001560680752 938269805 /nfs/dbraw/zinc/26/98/05/938269805.db2.gz NFJINTAQDGIAHK-UHFFFAOYSA-N 2 1 289.467 3.281 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001560706479 938271449 /nfs/dbraw/zinc/27/14/49/938271449.db2.gz KZRKDYTVKXQZHO-CQSZACIVSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001560809773 938277260 /nfs/dbraw/zinc/27/72/60/938277260.db2.gz XZMFECJNHYAXRG-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001560882235 938281604 /nfs/dbraw/zinc/28/16/04/938281604.db2.gz FHNPHSUJEAWFAA-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001560882235 938281605 /nfs/dbraw/zinc/28/16/05/938281605.db2.gz FHNPHSUJEAWFAA-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001561053569 938292351 /nfs/dbraw/zinc/29/23/51/938292351.db2.gz XFCUFCURQBZHOO-RFBLXINOSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccsc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001576809336 960480343 /nfs/dbraw/zinc/48/03/43/960480343.db2.gz UDGWQPDQAPJBMY-VHSXEESVSA-N 2 1 292.370 3.184 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576435321 960480671 /nfs/dbraw/zinc/48/06/71/960480671.db2.gz XBKDZVFWCHIARL-ZNMIVQPWSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001575115242 962342804 /nfs/dbraw/zinc/34/28/04/962342804.db2.gz CSGUGQIYQXYHTP-QGZVFWFLSA-N 2 1 275.440 3.020 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001575423101 962381555 /nfs/dbraw/zinc/38/15/55/962381555.db2.gz PKBKMZRGYHXCEA-JKSUJKDBSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001575549413 962385809 /nfs/dbraw/zinc/38/58/09/962385809.db2.gz GXZRWWQEWGTUPA-MGNMYUMUSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)CC[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)(F)F ZINC001575565804 962400588 /nfs/dbraw/zinc/40/05/88/962400588.db2.gz PVLTWBWEHKWAPE-VXGBXAGGSA-N 2 1 266.351 3.167 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)(F)F ZINC001575565804 962400599 /nfs/dbraw/zinc/40/05/99/962400599.db2.gz PVLTWBWEHKWAPE-VXGBXAGGSA-N 2 1 266.351 3.167 20 0 CGADMP CC(C)COc1ccc(C[NH2+]C2(C[NH3+])CCCC2)cc1 ZINC001575615333 962400681 /nfs/dbraw/zinc/40/06/81/962400681.db2.gz SUBQNHIDKRVZMH-UHFFFAOYSA-N 2 1 276.424 3.083 20 0 CGADMP CC(C)c1ccc2c(c1)CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC001575859001 962416336 /nfs/dbraw/zinc/41/63/36/962416336.db2.gz WSRRZEHHKSVKBS-KBXCAEBGSA-N 2 1 272.436 3.296 20 0 CGADMP CC(C)c1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC001575858784 962423937 /nfs/dbraw/zinc/42/39/37/962423937.db2.gz OTLJUGGGOVJRTR-OAHLLOKOSA-N 2 1 272.436 3.168 20 0 CGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC001576392145 962455228 /nfs/dbraw/zinc/45/52/28/962455228.db2.gz XTWJAWJOZPPJTO-UAGQMJEPSA-N 2 1 284.403 3.299 20 0 CGADMP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC001576458029 962457757 /nfs/dbraw/zinc/45/77/57/962457757.db2.gz VHOOBQDMMSVEQF-TZMCWYRMSA-N 2 1 264.438 3.131 20 0 CGADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC001576458029 962457779 /nfs/dbraw/zinc/45/77/79/962457779.db2.gz VHOOBQDMMSVEQF-TZMCWYRMSA-N 2 1 264.438 3.131 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3c(cccc3O)s2)C[C@@H]1C[NH3+] ZINC001576731209 962488301 /nfs/dbraw/zinc/48/83/01/962488301.db2.gz GMKDOSOAKFYMKK-RYUDHWBXSA-N 2 1 290.432 3.024 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001576850874 962493896 /nfs/dbraw/zinc/49/38/96/962493896.db2.gz WXPXEMUAMYALBW-XOYOTBSWSA-N 2 1 272.436 3.300 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC001577687671 962568388 /nfs/dbraw/zinc/56/83/88/962568388.db2.gz ORKMQBYUYALBQX-GVDBMIGSSA-N 3 1 283.504 3.007 20 0 CGADMP CCc1ccc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC001578255469 962575416 /nfs/dbraw/zinc/57/54/16/962575416.db2.gz TVMREMZDLDOUEZ-AEFFLSMTSA-N 2 1 272.436 3.038 20 0 CGADMP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc2ccccc21 ZINC001579150390 962610514 /nfs/dbraw/zinc/61/05/14/962610514.db2.gz JBFMBFOEBVJVAC-CJNGLKHVSA-N 2 1 284.403 3.018 20 0 CGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001579267768 962621046 /nfs/dbraw/zinc/62/10/46/962621046.db2.gz WMLGJJVFNCBTEF-KMCQBPLKSA-N 2 1 288.435 3.206 20 0 CGADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@H](C)[NH3+])cc2)c1 ZINC001579576680 962636526 /nfs/dbraw/zinc/63/65/26/962636526.db2.gz HHGKUXOQROZBLY-OAHLLOKOSA-N 2 1 268.404 3.407 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c1 ZINC001579759815 962668817 /nfs/dbraw/zinc/66/88/17/962668817.db2.gz YQDUFGWSGGSAHN-RDJZCZTQSA-N 2 1 260.425 3.048 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C)Cc1cc(C(C)(C)[NH3+])no1 ZINC001579754163 962672750 /nfs/dbraw/zinc/67/27/50/962672750.db2.gz BADLOSPXLPTYDC-UHFFFAOYSA-N 2 1 287.407 3.117 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)Cc1cc(C(C)(C)[NH3+])no1 ZINC001579754163 962672761 /nfs/dbraw/zinc/67/27/61/962672761.db2.gz BADLOSPXLPTYDC-UHFFFAOYSA-N 2 1 287.407 3.117 20 0 CGADMP Cc1ccccc1OCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC001579804872 962679120 /nfs/dbraw/zinc/67/91/20/962679120.db2.gz PMIKBWUAGGLNKB-IKGGRYGDSA-N 2 1 290.451 3.069 20 0 CGADMP c1c2cccnc2oc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580896743 962745426 /nfs/dbraw/zinc/74/54/26/962745426.db2.gz PKBYFJJFMXOCLN-HOTGVXAUSA-N 2 1 299.418 3.039 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1cc(F)cc2F)C1CC1 ZINC000651492013 398253309 /nfs/dbraw/zinc/25/33/09/398253309.db2.gz RXOMQAQOWPMOJF-KRWDZBQOSA-N 2 1 294.389 3.416 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2ccccc2C1)C1CC1 ZINC000651491423 398253637 /nfs/dbraw/zinc/25/36/37/398253637.db2.gz ACWKJWAAZJXHDY-GOSISDBHSA-N 2 1 286.463 3.398 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2c1CCC2 ZINC000651672558 398266367 /nfs/dbraw/zinc/26/63/67/398266367.db2.gz DSPJLECJRKVKRV-AWEZNQCLSA-N 2 1 283.419 3.106 20 0 CGADMP CCC1(CC)CCC([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000651686238 398268963 /nfs/dbraw/zinc/26/89/63/398268963.db2.gz VITDFKVQDVKZAW-UHFFFAOYSA-N 2 1 296.499 3.172 20 0 CGADMP Cc1[nH+]ccn1CCCNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000337814639 214273864 /nfs/dbraw/zinc/27/38/64/214273864.db2.gz NYGTZKZXXRKDMO-UHFFFAOYSA-N 2 1 298.365 3.111 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651828175 398294904 /nfs/dbraw/zinc/29/49/04/398294904.db2.gz YDYXKRGKBUTZAZ-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000651829456 398295400 /nfs/dbraw/zinc/29/54/00/398295400.db2.gz COTGCAAEOVLGRW-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@H]1CCOC1)C1CCCCC1 ZINC000651910493 398304906 /nfs/dbraw/zinc/30/49/06/398304906.db2.gz VXUHXWMGFLZULI-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@@H]1CCCOC1)C1CCCCC1 ZINC000651910575 398305648 /nfs/dbraw/zinc/30/56/48/398305648.db2.gz ZNQXOFAWDLULFD-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccs1 ZINC000338025440 214368261 /nfs/dbraw/zinc/36/82/61/214368261.db2.gz HQHUYXSDMJMTSX-ZDUSSCGKSA-N 2 1 263.410 3.384 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000359130220 529442710 /nfs/dbraw/zinc/44/27/10/529442710.db2.gz SABHDLDSJBAKBM-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423477950 529453350 /nfs/dbraw/zinc/45/33/50/529453350.db2.gz UHVNDMCZXAXHJL-UFBFGSQYSA-N 2 1 261.196 3.381 20 0 CGADMP Cc1[nH+]ccc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1Cl ZINC000488759188 282186894 /nfs/dbraw/zinc/18/68/94/282186894.db2.gz BBHXHQAXBHHGNJ-LBPRGKRZSA-N 2 1 293.842 3.354 20 0 CGADMP CC[C@@H](F)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000440792858 529550444 /nfs/dbraw/zinc/55/04/44/529550444.db2.gz AZGVJKDBABPUIT-MRXNPFEDSA-N 2 1 293.430 3.368 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(O)CCCC2)cc1 ZINC000268868018 282198875 /nfs/dbraw/zinc/19/88/75/282198875.db2.gz HWBICNSFZWKAAU-AWEZNQCLSA-N 2 1 299.418 3.136 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(OC(F)F)cc1 ZINC000423460537 529569274 /nfs/dbraw/zinc/56/92/74/529569274.db2.gz IZYFXGHQLVLCEV-DGCLKSJQSA-N 2 1 272.339 3.066 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000270687411 282205370 /nfs/dbraw/zinc/20/53/70/282205370.db2.gz VMFCTOHSERXWIC-AWEZNQCLSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@@H]1C ZINC000270687411 282205374 /nfs/dbraw/zinc/20/53/74/282205374.db2.gz VMFCTOHSERXWIC-AWEZNQCLSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420957935 282205517 /nfs/dbraw/zinc/20/55/17/282205517.db2.gz BLSNIPWHHJBKGU-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420957935 282205518 /nfs/dbraw/zinc/20/55/18/282205518.db2.gz BLSNIPWHHJBKGU-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2sccc21 ZINC000268778727 282206190 /nfs/dbraw/zinc/20/61/90/282206190.db2.gz CHEDUNZPRLOYNP-AWEZNQCLSA-N 2 1 275.421 3.310 20 0 CGADMP Cc1[nH+]ccn1CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434495595 282206676 /nfs/dbraw/zinc/20/66/76/282206676.db2.gz XKZWGIJASNBSRP-UHFFFAOYSA-N 2 1 287.382 3.152 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCc2ccccc2)CC1(C)C ZINC000623344952 349783772 /nfs/dbraw/zinc/78/37/72/349783772.db2.gz KCKZQPSGDBZNTK-QGZVFWFLSA-N 2 1 274.452 3.472 20 0 CGADMP Cc1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623341827 349782344 /nfs/dbraw/zinc/78/23/44/349782344.db2.gz SWXHNLHEXKVDKB-MRXNPFEDSA-N 2 1 290.451 3.145 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(F)cc1 ZINC000423262963 529654257 /nfs/dbraw/zinc/65/42/57/529654257.db2.gz NXIZMNPHIWKTFN-CABCVRRESA-N 2 1 252.377 3.240 20 0 CGADMP COc1cc(CNCCC[N@@H+](C)C(C)C)ccc1Cl ZINC000623351467 349786173 /nfs/dbraw/zinc/78/61/73/349786173.db2.gz RMQQRFQZUCJIQD-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)ccc1Cl ZINC000623351467 349786177 /nfs/dbraw/zinc/78/61/77/349786177.db2.gz RMQQRFQZUCJIQD-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)ccc1Cl ZINC000623351467 349786180 /nfs/dbraw/zinc/78/61/80/349786180.db2.gz RMQQRFQZUCJIQD-UHFFFAOYSA-N 2 1 284.831 3.169 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CCCC1 ZINC000449189007 529681582 /nfs/dbraw/zinc/68/15/82/529681582.db2.gz TWNQRLWGEMDOOQ-GOSISDBHSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)c[nH]c2c1 ZINC000623387594 349797097 /nfs/dbraw/zinc/79/70/97/349797097.db2.gz KEEMQIZIYULUST-INIZCTEOSA-N 2 1 299.462 3.481 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623404252 349799977 /nfs/dbraw/zinc/79/99/77/349799977.db2.gz VPVOOZVMMSYPNB-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404252 349799980 /nfs/dbraw/zinc/79/99/80/349799980.db2.gz VPVOOZVMMSYPNB-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404252 349799982 /nfs/dbraw/zinc/79/99/82/349799982.db2.gz VPVOOZVMMSYPNB-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623404253 349799594 /nfs/dbraw/zinc/79/95/94/349799594.db2.gz VPVOOZVMMSYPNB-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623404253 349799599 /nfs/dbraw/zinc/79/95/99/349799599.db2.gz VPVOOZVMMSYPNB-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP CCCC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404253 349799604 /nfs/dbraw/zinc/79/96/04/349799604.db2.gz VPVOOZVMMSYPNB-IAGOWNOFSA-N 2 1 295.515 3.103 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC000623477675 349816821 /nfs/dbraw/zinc/81/68/21/349816821.db2.gz ONHIJUFVGXUVMU-KKUMJFAQSA-N 2 1 282.472 3.043 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000366258081 529730056 /nfs/dbraw/zinc/73/00/56/529730056.db2.gz GQDZBPGEVPMCPF-FPMFFAJLSA-N 2 1 293.480 3.291 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000366258081 529730057 /nfs/dbraw/zinc/73/00/57/529730057.db2.gz GQDZBPGEVPMCPF-FPMFFAJLSA-N 2 1 293.480 3.291 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)CC1(C)C ZINC000623514457 349825379 /nfs/dbraw/zinc/82/53/79/349825379.db2.gz OMFDASFXFVLGBW-MRXNPFEDSA-N 2 1 285.435 3.173 20 0 CGADMP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623491561 349819870 /nfs/dbraw/zinc/81/98/70/349819870.db2.gz ZUAMMYLYJXQMNQ-HWOWSKLDSA-N 2 1 282.472 3.044 20 0 CGADMP COC1CCC(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623491562 349819891 /nfs/dbraw/zinc/81/98/91/349819891.db2.gz ZUAMMYLYJXQMNQ-PCKAHOCUSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623492881 349820295 /nfs/dbraw/zinc/82/02/95/349820295.db2.gz MYIUIKZZGDXLHX-QWRGUYRKSA-N 2 1 266.351 3.180 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623542195 349830016 /nfs/dbraw/zinc/83/00/16/349830016.db2.gz QNBOZUIXDMZZNB-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623550409 349832139 /nfs/dbraw/zinc/83/21/39/349832139.db2.gz NJGSEZTZIDKKGL-MNOVXSKESA-N 2 1 266.351 3.037 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H]2CCC[C@H]21 ZINC000367620838 529806768 /nfs/dbraw/zinc/80/67/68/529806768.db2.gz YOEVMAJIIFDGKW-NZSAHSFTSA-N 2 1 297.446 3.173 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)CC1 ZINC000623572809 349838351 /nfs/dbraw/zinc/83/83/51/349838351.db2.gz ODCAFBLEJUGODR-PPWQZUPISA-N 2 1 270.436 3.366 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623570444 349838599 /nfs/dbraw/zinc/83/85/99/349838599.db2.gz SHGJZBHFEPPKMA-WCZJQEMASA-N 2 1 276.468 3.418 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623570444 349838602 /nfs/dbraw/zinc/83/86/02/349838602.db2.gz SHGJZBHFEPPKMA-WCZJQEMASA-N 2 1 276.468 3.418 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000623657709 349859511 /nfs/dbraw/zinc/85/95/11/349859511.db2.gz XBKZEOWHVCLFNA-OAHLLOKOSA-N 2 1 280.843 3.470 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000623657582 349859580 /nfs/dbraw/zinc/85/95/80/349859580.db2.gz VAPDRHHLFXFQRE-MRXNPFEDSA-N 2 1 283.419 3.056 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1F ZINC000623657649 349859635 /nfs/dbraw/zinc/85/96/35/349859635.db2.gz VXUMXEHXSJATKF-HNNXBMFYSA-N 2 1 294.414 3.046 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1F ZINC000623657649 349859637 /nfs/dbraw/zinc/85/96/37/349859637.db2.gz VXUMXEHXSJATKF-HNNXBMFYSA-N 2 1 294.414 3.046 20 0 CGADMP c1ccc(CSCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000592437253 346986156 /nfs/dbraw/zinc/98/61/56/346986156.db2.gz FCQOJUGQRUXDEP-MRXNPFEDSA-N 2 1 290.476 3.184 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2scnc21 ZINC000623898188 349909503 /nfs/dbraw/zinc/90/95/03/349909503.db2.gz BQAOHCKXFZTXOQ-ZDUSSCGKSA-N 2 1 290.436 3.095 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000423284385 529986027 /nfs/dbraw/zinc/98/60/27/529986027.db2.gz YILBBZZAZWDIBG-HIFRSBDPSA-N 2 1 252.402 3.202 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000367681888 530050976 /nfs/dbraw/zinc/05/09/76/530050976.db2.gz DLJYKENUBPCBLY-CQSZACIVSA-N 2 1 294.389 3.129 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000040622749 344963988 /nfs/dbraw/zinc/96/39/88/344963988.db2.gz GTZWTEYGDCLFRK-NXVRBGIVSA-N 2 1 290.426 3.392 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040620828 344964220 /nfs/dbraw/zinc/96/42/20/344964220.db2.gz WFGTVNMUCALSRJ-KRWDZBQOSA-N 2 1 260.425 3.069 20 0 CGADMP Cc1ccc(C[NH+](C)C)cc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623954554 349926612 /nfs/dbraw/zinc/92/66/12/349926612.db2.gz RWAWQOCIDHNRET-INIZCTEOSA-N 2 1 289.467 3.341 20 0 CGADMP C[NH+](C)CCc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623952531 349926233 /nfs/dbraw/zinc/92/62/33/349926233.db2.gz WARMTDHGVSUFJK-KRWDZBQOSA-N 2 1 289.467 3.075 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCOCc2ccccc2)CC[N@H+]1C ZINC000127443037 187307039 /nfs/dbraw/zinc/30/70/39/187307039.db2.gz IKAWKCOATQZPGH-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC000081094859 345699850 /nfs/dbraw/zinc/69/98/50/345699850.db2.gz SUCCGHAXTIDINZ-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC000081094859 345699853 /nfs/dbraw/zinc/69/98/53/345699853.db2.gz SUCCGHAXTIDINZ-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC000081094859 345699855 /nfs/dbraw/zinc/69/98/55/345699855.db2.gz SUCCGHAXTIDINZ-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC000081094859 345699857 /nfs/dbraw/zinc/69/98/57/345699857.db2.gz SUCCGHAXTIDINZ-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CC1 ZINC000089595266 345771325 /nfs/dbraw/zinc/77/13/25/345771325.db2.gz MGAGGWRYCJBART-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc2ccccc12 ZINC000124493872 346012602 /nfs/dbraw/zinc/01/26/02/346012602.db2.gz XCCQXXVGKPFHIS-DGCLKSJQSA-N 2 1 260.406 3.213 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000147530158 346126503 /nfs/dbraw/zinc/12/65/03/346126503.db2.gz FIVBIDNTYLITPF-UHFFFAOYSA-N 2 1 254.377 3.024 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150796224 346133907 /nfs/dbraw/zinc/13/39/07/346133907.db2.gz YNSFMLPCMNEVJZ-KRWDZBQOSA-N 2 1 272.436 3.221 20 0 CGADMP Cc1csc([C@@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)n1 ZINC000273279021 192097864 /nfs/dbraw/zinc/09/78/64/192097864.db2.gz KWMMBMMQBVPSOU-AWEZNQCLSA-N 2 1 290.436 3.087 20 0 CGADMP Cc1c[nH+]ccc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000192564222 346268227 /nfs/dbraw/zinc/26/82/27/346268227.db2.gz GQKDHQQCUHJHQG-SFHVURJKSA-N 2 1 295.430 3.367 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000236007041 346338695 /nfs/dbraw/zinc/33/86/95/346338695.db2.gz HUKFLWKNCZOVDI-CYBMUJFWSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000236007041 346338699 /nfs/dbraw/zinc/33/86/99/346338699.db2.gz HUKFLWKNCZOVDI-CYBMUJFWSA-N 2 1 278.827 3.222 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000250235482 346384736 /nfs/dbraw/zinc/38/47/36/346384736.db2.gz GRGDKRRFIQGPHQ-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257667432 346401012 /nfs/dbraw/zinc/40/10/12/346401012.db2.gz HPYREZRKBXRPSZ-GOSISDBHSA-N 2 1 272.436 3.003 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000311698335 346474761 /nfs/dbraw/zinc/47/47/61/346474761.db2.gz LUBBTAAQERIOOX-NVXWUHKLSA-N 2 1 262.441 3.326 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000311698335 346474762 /nfs/dbraw/zinc/47/47/62/346474762.db2.gz LUBBTAAQERIOOX-NVXWUHKLSA-N 2 1 262.441 3.326 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000401771754 346592657 /nfs/dbraw/zinc/59/26/57/346592657.db2.gz JUQNVLBNXTVSON-UHFFFAOYSA-N 2 1 283.419 3.279 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1c[nH+]ccc1N ZINC000584714626 346709588 /nfs/dbraw/zinc/70/95/88/346709588.db2.gz UFHQCPJEGZFRJE-PIGZYNQJSA-N 2 1 285.366 3.361 20 0 CGADMP C[C@H](CSCCF)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000595016721 347257868 /nfs/dbraw/zinc/25/78/68/347257868.db2.gz VUSJXWIBGSZOOD-UKRRQHHQSA-N 2 1 290.492 3.178 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CSCCF)c1 ZINC000595015607 347257938 /nfs/dbraw/zinc/25/79/38/347257938.db2.gz ZFQYIUFDPHIRCI-AWEZNQCLSA-N 2 1 298.471 3.319 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120472 349976931 /nfs/dbraw/zinc/97/69/31/349976931.db2.gz ZYGPQFPGDXDGKX-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624121234 349978887 /nfs/dbraw/zinc/97/88/87/349978887.db2.gz QPPGBFXBJJTYLV-RISCZKNCSA-N 2 1 281.469 3.142 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000624122528 349982111 /nfs/dbraw/zinc/98/21/11/349982111.db2.gz UBONHGIWYAFMBF-HYVNUMGLSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCCC1 ZINC000624123176 349982282 /nfs/dbraw/zinc/98/22/82/349982282.db2.gz HFSOYBSKCQEZOX-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc2oc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000606911941 348207381 /nfs/dbraw/zinc/20/73/81/348207381.db2.gz OFVLOEPIXGSDRM-JKSUJKDBSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1ccc2oc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000606911941 348207383 /nfs/dbraw/zinc/20/73/83/348207383.db2.gz OFVLOEPIXGSDRM-JKSUJKDBSA-N 2 1 284.403 3.458 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339431182 215164646 /nfs/dbraw/zinc/16/46/46/215164646.db2.gz VVYODMKSNCBVDC-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339431182 215164649 /nfs/dbraw/zinc/16/46/49/215164649.db2.gz VVYODMKSNCBVDC-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339431182 215164652 /nfs/dbraw/zinc/16/46/52/215164652.db2.gz VVYODMKSNCBVDC-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339431182 215164654 /nfs/dbraw/zinc/16/46/54/215164654.db2.gz VVYODMKSNCBVDC-PBHICJAKSA-N 2 1 276.399 3.304 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCSC3CCCCC3)C2)C1 ZINC000339440050 215172331 /nfs/dbraw/zinc/17/23/31/215172331.db2.gz VXBNYSYVXMQROE-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCSC3CCCCC3)C2)C1 ZINC000339440050 215172335 /nfs/dbraw/zinc/17/23/35/215172335.db2.gz VXBNYSYVXMQROE-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCSC3CCCCC3)C2)C1 ZINC000339440050 215172337 /nfs/dbraw/zinc/17/23/37/215172337.db2.gz VXBNYSYVXMQROE-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP CC(C)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273383283 192134233 /nfs/dbraw/zinc/13/42/33/192134233.db2.gz CIVPRBVSAOANGB-AEFFLSMTSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273383283 192134234 /nfs/dbraw/zinc/13/42/34/192134234.db2.gz CIVPRBVSAOANGB-AEFFLSMTSA-N 2 1 290.451 3.054 20 0 CGADMP C/C=C\C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624198754 349999927 /nfs/dbraw/zinc/99/99/27/349999927.db2.gz XAUYOBMTRPPEFA-VLEPGRHQSA-N 2 1 270.420 3.348 20 0 CGADMP CC[N@H+](CCc1cccs1)CC[C@@H]1CCC[NH+]1C ZINC000271222164 191011213 /nfs/dbraw/zinc/01/12/13/191011213.db2.gz KLPNOKJXWWRPCZ-AWEZNQCLSA-N 2 1 266.454 3.097 20 0 CGADMP CC[NH+](CCc1cccs1)CC[C@@H]1CCC[N@@H+]1C ZINC000271222164 191011216 /nfs/dbraw/zinc/01/12/16/191011216.db2.gz KLPNOKJXWWRPCZ-AWEZNQCLSA-N 2 1 266.454 3.097 20 0 CGADMP CC[NH+](CCc1cccs1)CC[C@@H]1CCC[N@H+]1C ZINC000271222164 191011219 /nfs/dbraw/zinc/01/12/19/191011219.db2.gz KLPNOKJXWWRPCZ-AWEZNQCLSA-N 2 1 266.454 3.097 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H]([N@H+](C)C[C@H]2C[C@@H]2C)CC1 ZINC000625271024 350150965 /nfs/dbraw/zinc/15/09/65/350150965.db2.gz UPNBVXMQXSJIBS-UTSKFRMZSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([NH+](C)C[C@H]2C[C@@H]2C)CC1 ZINC000625271024 350150967 /nfs/dbraw/zinc/15/09/67/350150967.db2.gz UPNBVXMQXSJIBS-UTSKFRMZSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]([NH+](C)C[C@H]2C[C@@H]2C)CC1 ZINC000625271024 350150968 /nfs/dbraw/zinc/15/09/68/350150968.db2.gz UPNBVXMQXSJIBS-UTSKFRMZSA-N 2 1 264.457 3.085 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000625445638 350173331 /nfs/dbraw/zinc/17/33/31/350173331.db2.gz GFSLRUGQXYRBAG-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000625445638 350173333 /nfs/dbraw/zinc/17/33/33/350173333.db2.gz GFSLRUGQXYRBAG-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[C@H](C)CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000625445638 350173338 /nfs/dbraw/zinc/17/33/38/350173338.db2.gz GFSLRUGQXYRBAG-HOTGVXAUSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H](C)C1(F)F ZINC000625648189 350188437 /nfs/dbraw/zinc/18/84/37/350188437.db2.gz PDTJUVXKKOZBBN-HZSPNIEDSA-N 2 1 274.399 3.084 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H](C)C1(F)F ZINC000625648189 350188440 /nfs/dbraw/zinc/18/84/40/350188440.db2.gz PDTJUVXKKOZBBN-HZSPNIEDSA-N 2 1 274.399 3.084 20 0 CGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H](C)C1(F)F ZINC000625648189 350188444 /nfs/dbraw/zinc/18/84/44/350188444.db2.gz PDTJUVXKKOZBBN-HZSPNIEDSA-N 2 1 274.399 3.084 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC(F)(F)CC1 ZINC000625770923 350210676 /nfs/dbraw/zinc/21/06/76/350210676.db2.gz YHXMQRLKBSIKDB-UHFFFAOYSA-N 2 1 271.355 3.093 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC(F)(F)CC1 ZINC000625770923 350210677 /nfs/dbraw/zinc/21/06/77/350210677.db2.gz YHXMQRLKBSIKDB-UHFFFAOYSA-N 2 1 271.355 3.093 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000626164134 350274806 /nfs/dbraw/zinc/27/48/06/350274806.db2.gz XHTCOYKWVIOWNO-JGPFYOFESA-N 2 1 250.430 3.149 20 0 CGADMP C/C=C\C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000626164134 350274809 /nfs/dbraw/zinc/27/48/09/350274809.db2.gz XHTCOYKWVIOWNO-JGPFYOFESA-N 2 1 250.430 3.149 20 0 CGADMP C/C=C\C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000626164134 350274811 /nfs/dbraw/zinc/27/48/11/350274811.db2.gz XHTCOYKWVIOWNO-JGPFYOFESA-N 2 1 250.430 3.149 20 0 CGADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C[NH+](C)C)c1 ZINC000628196755 350436419 /nfs/dbraw/zinc/43/64/19/350436419.db2.gz BJGLDYIKLUTNHH-MRXNPFEDSA-N 2 1 289.467 3.341 20 0 CGADMP Cc1ccc([C@@H](C)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000628292739 350481615 /nfs/dbraw/zinc/48/16/15/350481615.db2.gz RCOVNPODGGJZHO-WMZOPIPTSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc([C@@H](C)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000628292739 350481619 /nfs/dbraw/zinc/48/16/19/350481619.db2.gz RCOVNPODGGJZHO-WMZOPIPTSA-N 2 1 272.436 3.126 20 0 CGADMP Cc1ccc([C@@H](C)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000628292739 350481623 /nfs/dbraw/zinc/48/16/23/350481623.db2.gz RCOVNPODGGJZHO-WMZOPIPTSA-N 2 1 272.436 3.126 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000628425941 350536939 /nfs/dbraw/zinc/53/69/39/350536939.db2.gz ZYGNOUOWQPEDGG-ILXRZTDVSA-N 2 1 284.513 3.228 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cnc3ccc(C)cc3c2)CC[C@H]1[NH3+] ZINC000629528145 350703250 /nfs/dbraw/zinc/70/32/50/350703250.db2.gz QJHKRPZNFLWRLV-NVXWUHKLSA-N 2 1 283.419 3.102 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cnc3ccc(C)cc3c2)CC[C@H]1[NH3+] ZINC000629528144 350703381 /nfs/dbraw/zinc/70/33/81/350703381.db2.gz QJHKRPZNFLWRLV-DOTOQJQBSA-N 2 1 283.419 3.102 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629550058 350711019 /nfs/dbraw/zinc/71/10/19/350711019.db2.gz XIPBXPLQSTWCBO-ILXRZTDVSA-N 2 1 264.800 3.187 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000629549077 350711136 /nfs/dbraw/zinc/71/11/36/350711136.db2.gz PZURNCGPPAAULV-HIFRSBDPSA-N 2 1 275.440 3.079 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000629549077 350711139 /nfs/dbraw/zinc/71/11/39/350711139.db2.gz PZURNCGPPAAULV-HIFRSBDPSA-N 2 1 275.440 3.079 20 0 CGADMP Clc1cccc([C@H]2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)c1 ZINC000629555351 350712985 /nfs/dbraw/zinc/71/29/85/350712985.db2.gz VDLLKWIJWFWHNV-NUEKZKHPSA-N 2 1 278.827 3.318 20 0 CGADMP FC(F)(F)c1ccc2c(c1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000629581039 350714864 /nfs/dbraw/zinc/71/48/64/350714864.db2.gz KNAKWAQQTBXWST-LBPRGKRZSA-N 2 1 298.352 3.063 20 0 CGADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000629581039 350714869 /nfs/dbraw/zinc/71/48/69/350714869.db2.gz KNAKWAQQTBXWST-LBPRGKRZSA-N 2 1 298.352 3.063 20 0 CGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC[C@@H]1CCc3ccccc31)C2 ZINC000629595341 350717076 /nfs/dbraw/zinc/71/70/76/350717076.db2.gz QDRDQLOKHAFDKE-YTQUADARSA-N 2 1 284.447 3.038 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656226 350731405 /nfs/dbraw/zinc/73/14/05/350731405.db2.gz NCMSXUQJRZZSSY-WDEREUQCSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656226 350731407 /nfs/dbraw/zinc/73/14/07/350731407.db2.gz NCMSXUQJRZZSSY-WDEREUQCSA-N 2 1 292.370 3.016 20 0 CGADMP CC(C)(C[NH2+]Cc1ccc(C(F)F)nc1)C[NH+]1CCCC1 ZINC000631120755 350961705 /nfs/dbraw/zinc/96/17/05/350961705.db2.gz LDYVHPYNEBHRBX-UHFFFAOYSA-N 2 1 297.393 3.231 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC1(C)C ZINC000631246022 351004288 /nfs/dbraw/zinc/00/42/88/351004288.db2.gz WSHIXKMEWAPWEO-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000631636820 351101449 /nfs/dbraw/zinc/10/14/49/351101449.db2.gz IMKCZIRAUVJBKX-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000631651530 351106153 /nfs/dbraw/zinc/10/61/53/351106153.db2.gz KTUCEEDWIFCKCS-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634678599 351563460 /nfs/dbraw/zinc/56/34/60/351563460.db2.gz ZCZVDHRWJKTYQB-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000634678408 351563552 /nfs/dbraw/zinc/56/35/52/351563552.db2.gz SBYAUSFKCSGTNR-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP c1cnc2cccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000634688091 351573386 /nfs/dbraw/zinc/57/33/86/351573386.db2.gz IDGADFWADIWSSK-MOPGFXCFSA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000634688091 351573393 /nfs/dbraw/zinc/57/33/93/351573393.db2.gz IDGADFWADIWSSK-MOPGFXCFSA-N 2 1 295.430 3.341 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000634732735 351578314 /nfs/dbraw/zinc/57/83/14/351578314.db2.gz NLUFUJOWGHPCLE-CYBMUJFWSA-N 2 1 266.816 3.208 20 0 CGADMP FC(F)(F)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC12CCC2 ZINC000261608770 303117014 /nfs/dbraw/zinc/11/70/14/303117014.db2.gz AMSPABGCJUEKMT-CYBMUJFWSA-N 2 1 290.373 3.041 20 0 CGADMP CC(C)[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000122768161 187050508 /nfs/dbraw/zinc/05/05/08/187050508.db2.gz VPZQOXKFSQBACP-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP CC(C)[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000122768161 187050509 /nfs/dbraw/zinc/05/05/09/187050509.db2.gz VPZQOXKFSQBACP-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3cc(OC)ccc3c2)C1 ZINC000124145427 187124029 /nfs/dbraw/zinc/12/40/29/187124029.db2.gz FTJGWIIDPXAZBY-MRXNPFEDSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccccc2)CC[N@@H+]1C ZINC000123681642 187104429 /nfs/dbraw/zinc/10/44/29/187104429.db2.gz JSWTZKZHXDGYTI-CABCVRRESA-N 2 1 278.465 3.193 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccccc2)CC[N@H+]1C ZINC000123681642 187104430 /nfs/dbraw/zinc/10/44/30/187104430.db2.gz JSWTZKZHXDGYTI-CABCVRRESA-N 2 1 278.465 3.193 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCSc2ccccc2)CC[NH+]1C ZINC000123681642 187104431 /nfs/dbraw/zinc/10/44/31/187104431.db2.gz JSWTZKZHXDGYTI-CABCVRRESA-N 2 1 278.465 3.193 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCSc2ccccc2)CC[NH+]1C ZINC000123681642 187104432 /nfs/dbraw/zinc/10/44/32/187104432.db2.gz JSWTZKZHXDGYTI-CABCVRRESA-N 2 1 278.465 3.193 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000271497844 191174618 /nfs/dbraw/zinc/17/46/18/191174618.db2.gz QGXGHPLBWLAVMW-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000367478258 234219346 /nfs/dbraw/zinc/21/93/46/234219346.db2.gz BCCFNHDRJFCEQD-OAHLLOKOSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000367478258 234219349 /nfs/dbraw/zinc/21/93/49/234219349.db2.gz BCCFNHDRJFCEQD-OAHLLOKOSA-N 2 1 275.440 3.484 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292256969 198220866 /nfs/dbraw/zinc/22/08/66/198220866.db2.gz YECHHHWMKNBCDL-SJORKVTESA-N 2 1 258.409 3.165 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292256969 198220868 /nfs/dbraw/zinc/22/08/68/198220868.db2.gz YECHHHWMKNBCDL-SJORKVTESA-N 2 1 258.409 3.165 20 0 CGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292256969 198220869 /nfs/dbraw/zinc/22/08/69/198220869.db2.gz YECHHHWMKNBCDL-SJORKVTESA-N 2 1 258.409 3.165 20 0 CGADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc2ccccc2n1 ZINC000367999667 234266451 /nfs/dbraw/zinc/26/64/51/234266451.db2.gz XEMJBNUAMGEKOY-JSGCOSHPSA-N 2 1 292.386 3.166 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000154670589 188156970 /nfs/dbraw/zinc/15/69/70/188156970.db2.gz KAKCLAPSPZBRNH-UHFFFAOYSA-N 2 1 260.425 3.266 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCOC)CC2)s1 ZINC000154887255 188167755 /nfs/dbraw/zinc/16/77/55/188167755.db2.gz RSDDLPOKNOKSAX-CYBMUJFWSA-N 2 1 296.480 3.072 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)CC[N@H+]1C ZINC000156319339 188254627 /nfs/dbraw/zinc/25/46/27/188254627.db2.gz DZAUXWPRDCIICH-ZBFHGGJFSA-N 2 1 285.435 3.173 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)CC[N@H+]1C ZINC000156338466 188256562 /nfs/dbraw/zinc/25/65/62/188256562.db2.gz RJYCANXSTSHNOS-CHWSQXEVSA-N 2 1 266.454 3.098 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)CC[N@H+]1C ZINC000156338588 188257013 /nfs/dbraw/zinc/25/70/13/188257013.db2.gz RJYCANXSTSHNOS-QWHCGFSZSA-N 2 1 266.454 3.098 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000157080846 188296278 /nfs/dbraw/zinc/29/62/78/188296278.db2.gz YJLSBHKCGMFNOZ-WWGRRREGSA-N 2 1 280.843 3.201 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000369721339 234394849 /nfs/dbraw/zinc/39/48/49/234394849.db2.gz MTTRSNPLOVTDRD-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158584017 188383151 /nfs/dbraw/zinc/38/31/51/188383151.db2.gz BSJSCFAZPFPLPX-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158584017 188383153 /nfs/dbraw/zinc/38/31/53/188383153.db2.gz BSJSCFAZPFPLPX-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158584017 188383154 /nfs/dbraw/zinc/38/31/54/188383154.db2.gz BSJSCFAZPFPLPX-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000271790017 191328812 /nfs/dbraw/zinc/32/88/12/191328812.db2.gz GOVUKGOAOYMTIX-UHFFFAOYSA-N 2 1 266.388 3.191 20 0 CGADMP CC(C)COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271791335 191330338 /nfs/dbraw/zinc/33/03/38/191330338.db2.gz GRXYSRFGKJGGMB-UHFFFAOYSA-N 2 1 288.435 3.073 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc3ccccc23)CC1 ZINC000271834386 191355655 /nfs/dbraw/zinc/35/56/55/191355655.db2.gz PKUZNTQSFICQTJ-UHFFFAOYSA-N 2 1 272.417 3.253 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000271828796 191351616 /nfs/dbraw/zinc/35/16/16/191351616.db2.gz DPJYNWMBFLUXIA-GFCCVEGCSA-N 2 1 296.361 3.201 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000271897495 191396528 /nfs/dbraw/zinc/39/65/28/191396528.db2.gz UOZCLBIKMQMSRG-LBPRGKRZSA-N 2 1 264.800 3.253 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414171292 235352820 /nfs/dbraw/zinc/35/28/20/235352820.db2.gz DCMJSHWDWMIXNC-OLZOCXBDSA-N 2 1 252.427 3.131 20 0 CGADMP Clc1oc2ccccc2c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414837940 235478391 /nfs/dbraw/zinc/47/83/91/235478391.db2.gz WNNBVPWQBLTYNS-NSHDSACASA-N 2 1 278.783 3.175 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868671 138356191 /nfs/dbraw/zinc/35/61/91/138356191.db2.gz VTBWZULORUNNIZ-HUUCEWRRSA-N 2 1 264.800 3.056 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868671 138356192 /nfs/dbraw/zinc/35/61/92/138356192.db2.gz VTBWZULORUNNIZ-HUUCEWRRSA-N 2 1 264.800 3.056 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccccc1C ZINC000125423750 138381851 /nfs/dbraw/zinc/38/18/51/138381851.db2.gz MVRCPKDPYBTYNQ-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccc1C ZINC000125423750 138381852 /nfs/dbraw/zinc/38/18/52/138381852.db2.gz MVRCPKDPYBTYNQ-UHFFFAOYSA-N 2 1 271.408 3.412 20 0 CGADMP CCC[C@@H](CC)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000125867831 138384480 /nfs/dbraw/zinc/38/44/80/138384480.db2.gz NCWILBMWFFRHIL-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccs2)C2CC2)CC[N@@H+]1C ZINC000129874242 138398168 /nfs/dbraw/zinc/39/81/68/138398168.db2.gz MWOJOAAXLGFILK-UXIGCNINSA-N 2 1 264.438 3.272 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccs2)C2CC2)CC[N@H+]1C ZINC000129874242 138398169 /nfs/dbraw/zinc/39/81/69/138398169.db2.gz MWOJOAAXLGFILK-UXIGCNINSA-N 2 1 264.438 3.272 20 0 CGADMP Oc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422997961 235955029 /nfs/dbraw/zinc/95/50/29/235955029.db2.gz VSZSHAUDZIVDMJ-MJGOQNOKSA-N 2 1 296.414 3.018 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423279556 236021082 /nfs/dbraw/zinc/02/10/82/236021082.db2.gz RLQJKGFCFMJUJE-SDBXPKJASA-N 2 1 273.207 3.381 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423286182 236023154 /nfs/dbraw/zinc/02/31/54/236023154.db2.gz ZUCYQIPFUSKYAN-IXLVHKGHSA-N 2 1 284.856 3.220 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000423310666 236033737 /nfs/dbraw/zinc/03/37/37/236033737.db2.gz AQGVDLIPVVMTQX-OLZOCXBDSA-N 2 1 285.218 3.308 20 0 CGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1Cl ZINC000423319735 236036851 /nfs/dbraw/zinc/03/68/51/236036851.db2.gz DUQUQRKUOPMJGX-SWLSCSKDSA-N 2 1 266.816 3.380 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423318861 236037206 /nfs/dbraw/zinc/03/72/06/236037206.db2.gz DWKZIYLUUAZEAO-KGLIPLIRSA-N 2 1 254.377 3.351 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000470010110 283280213 /nfs/dbraw/zinc/28/02/13/283280213.db2.gz XCCPVRQOUPRBHL-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424373931 236158375 /nfs/dbraw/zinc/15/83/75/236158375.db2.gz KHDXVKUIEKVROK-VHSSKADRSA-N 2 1 299.393 3.137 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1)CC[NH2+]CC2 ZINC000424377647 236158796 /nfs/dbraw/zinc/15/87/96/236158796.db2.gz MKSMYMBXQVCDNI-NJAFHUGGSA-N 2 1 284.447 3.254 20 0 CGADMP CCOc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424381506 236158812 /nfs/dbraw/zinc/15/88/12/236158812.db2.gz QWYVNKZHMWTGCW-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000336235376 213066231 /nfs/dbraw/zinc/06/62/31/213066231.db2.gz DFOVKMBMXUNIDT-QWRGUYRKSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000336235376 213066233 /nfs/dbraw/zinc/06/62/33/213066233.db2.gz DFOVKMBMXUNIDT-QWRGUYRKSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000129970135 291145353 /nfs/dbraw/zinc/14/53/53/291145353.db2.gz MAGUPCKKMXSEIQ-YWPUVAFDSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000129970135 291145354 /nfs/dbraw/zinc/14/53/54/291145354.db2.gz MAGUPCKKMXSEIQ-YWPUVAFDSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(O)c1 ZINC000194959456 299279940 /nfs/dbraw/zinc/27/99/40/299279940.db2.gz NLNBCYGAPOUXSW-AWEZNQCLSA-N 2 1 276.424 3.165 20 0 CGADMP [NH3+]C[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000044531802 283469261 /nfs/dbraw/zinc/46/92/61/283469261.db2.gz UKRBDQBRODLSKN-NSHDSACASA-N 2 1 275.783 3.063 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000298221536 200364189 /nfs/dbraw/zinc/36/41/89/200364189.db2.gz ALLPBKBEKCFQBB-IPJUCJBFSA-N 2 1 286.463 3.428 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298251421 200372464 /nfs/dbraw/zinc/37/24/64/200372464.db2.gz DMJVDWUDJBRTCA-UHFFFAOYSA-N 2 1 297.446 3.235 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC)cc2)C1 ZINC000177033674 189022713 /nfs/dbraw/zinc/02/27/13/189022713.db2.gz PJRPBONCYBDBSP-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC)cc2)C1 ZINC000177033674 189022714 /nfs/dbraw/zinc/02/27/14/189022714.db2.gz PJRPBONCYBDBSP-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC)cc2)C1 ZINC000177033674 189022715 /nfs/dbraw/zinc/02/27/15/189022715.db2.gz PJRPBONCYBDBSP-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC)cc2)C1 ZINC000177033674 189022716 /nfs/dbraw/zinc/02/27/16/189022716.db2.gz PJRPBONCYBDBSP-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000177295813 189042712 /nfs/dbraw/zinc/04/27/12/189042712.db2.gz OLKVMJGROZLLPD-ZIAGYGMSSA-N 2 1 287.407 3.187 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000177295501 189042778 /nfs/dbraw/zinc/04/27/78/189042778.db2.gz NXNGESDJQHJXGE-CVEARBPZSA-N 2 1 285.435 3.439 20 0 CGADMP Cc1ccccc1C(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298549990 200466790 /nfs/dbraw/zinc/46/67/90/200466790.db2.gz UPWHCUOPGLJVLQ-UHFFFAOYSA-N 2 1 286.463 3.489 20 0 CGADMP COCC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178360230 189110214 /nfs/dbraw/zinc/11/02/14/189110214.db2.gz VPVMXOGQRRGBSR-UONOGXRCSA-N 2 1 287.407 3.256 20 0 CGADMP Cc1ccc(SCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000178380144 189111928 /nfs/dbraw/zinc/11/19/28/189111928.db2.gz KRXLGKRJNBQIAO-CABCVRRESA-N 2 1 278.465 3.159 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000178697065 189138517 /nfs/dbraw/zinc/13/85/17/189138517.db2.gz XGUCLFQZQFWTNY-RYUDHWBXSA-N 2 1 293.361 3.457 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178705394 189138791 /nfs/dbraw/zinc/13/87/91/189138791.db2.gz OEMZXMFETWTIPG-KGLIPLIRSA-N 2 1 287.407 3.187 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-n2cccn2)cc1 ZINC000180855397 189280268 /nfs/dbraw/zinc/28/02/68/189280268.db2.gz KIOWFWMMDBCMSN-RDJZCZTQSA-N 2 1 298.434 3.007 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181481826 189297764 /nfs/dbraw/zinc/29/77/64/189297764.db2.gz QKEMARAUXYOCPM-WBVHZDCISA-N 2 1 290.451 3.090 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)ccc1F ZINC000342319670 216308662 /nfs/dbraw/zinc/30/86/62/216308662.db2.gz NKHPQNDBYWLJSK-UKRRQHHQSA-N 2 1 264.388 3.269 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182518717 189326780 /nfs/dbraw/zinc/32/67/80/189326780.db2.gz VHHKHYXNGAFNBJ-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449087613 239169270 /nfs/dbraw/zinc/16/92/70/239169270.db2.gz GONASADNMTUSDX-LZWOXQAQSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1F ZINC000449373406 239360260 /nfs/dbraw/zinc/36/02/60/239360260.db2.gz RDIIBDVQKCSGRJ-VNQPRFMTSA-N 2 1 276.399 3.412 20 0 CGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119702152 370699958 /nfs/dbraw/zinc/69/99/58/370699958.db2.gz PMNRABIWCDPNCG-KRWDZBQOSA-N 2 1 286.419 3.117 20 0 CGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450631974 240010227 /nfs/dbraw/zinc/01/02/27/240010227.db2.gz JKTCMXZXLQNWIR-ZIAGYGMSSA-N 2 1 297.393 3.110 20 0 CGADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH2+]CC3)oc2c1 ZINC000335568424 212278609 /nfs/dbraw/zinc/27/86/09/212278609.db2.gz LLYAUEJIZKWNMS-LBPRGKRZSA-N 2 1 258.365 3.144 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675486 193102492 /nfs/dbraw/zinc/10/24/92/193102492.db2.gz GOWDRGYWVMYACG-GJZGRUSLSA-N 2 1 278.415 3.203 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675486 193102494 /nfs/dbraw/zinc/10/24/94/193102494.db2.gz GOWDRGYWVMYACG-GJZGRUSLSA-N 2 1 278.415 3.203 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675486 193102496 /nfs/dbraw/zinc/10/24/96/193102496.db2.gz GOWDRGYWVMYACG-GJZGRUSLSA-N 2 1 278.415 3.203 20 0 CGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCc2cncn2C)c1 ZINC000459323663 242070828 /nfs/dbraw/zinc/07/08/28/242070828.db2.gz JCPNMPGOKGUZGA-HNNXBMFYSA-N 2 1 271.408 3.272 20 0 CGADMP C[C@@H]1C[C@@]1([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000459430511 242105895 /nfs/dbraw/zinc/10/58/95/242105895.db2.gz IVHGPNPFTYGCLF-WBMJQRKESA-N 2 1 289.810 3.141 20 0 CGADMP CC[C@H]1C[C@]1([NH2+]CCc1c[nH+]cn1C)c1cccc(C)c1 ZINC000459449967 242111934 /nfs/dbraw/zinc/11/19/34/242111934.db2.gz NRXYCJBABGFHGI-MAUKXSAKSA-N 2 1 283.419 3.186 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459721089 242192103 /nfs/dbraw/zinc/19/21/03/242192103.db2.gz AMZLHTWMBFBPAU-KRWDZBQOSA-N 2 1 291.483 3.356 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459793111 242238495 /nfs/dbraw/zinc/23/84/95/242238495.db2.gz SUHVUKYLAULFJH-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000462687871 242357678 /nfs/dbraw/zinc/35/76/78/242357678.db2.gz RZKDUQNTFDSLNF-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000462687871 242357680 /nfs/dbraw/zinc/35/76/80/242357680.db2.gz RZKDUQNTFDSLNF-UGUYLWEFSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Cl ZINC000462820423 242367156 /nfs/dbraw/zinc/36/71/56/242367156.db2.gz VNQQLGDRTXYQHR-DZGCQCFKSA-N 2 1 280.843 3.263 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCSc1ccccc1 ZINC000337285275 376192150 /nfs/dbraw/zinc/19/21/50/376192150.db2.gz ZRHOJTZIMXAYJD-UHFFFAOYSA-N 2 1 278.465 3.196 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCSc1ccccc1 ZINC000337285275 376192153 /nfs/dbraw/zinc/19/21/53/376192153.db2.gz ZRHOJTZIMXAYJD-UHFFFAOYSA-N 2 1 278.465 3.196 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000537649514 376192557 /nfs/dbraw/zinc/19/25/57/376192557.db2.gz XNNWTXXEFDNWHI-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000537649514 376192564 /nfs/dbraw/zinc/19/25/64/376192564.db2.gz XNNWTXXEFDNWHI-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000480242908 243142987 /nfs/dbraw/zinc/14/29/87/243142987.db2.gz RTRNRNBRYRZBBZ-OAHLLOKOSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000480242908 243142990 /nfs/dbraw/zinc/14/29/90/243142990.db2.gz RTRNRNBRYRZBBZ-OAHLLOKOSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000271278487 296121942 /nfs/dbraw/zinc/12/19/42/296121942.db2.gz BWTZRLYDVVKUSC-HUUCEWRRSA-N 2 1 293.430 3.383 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000019958998 368789412 /nfs/dbraw/zinc/78/94/12/368789412.db2.gz PXSYMOXUYWXYAH-CQSZACIVSA-N 2 1 264.413 3.078 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000019959407 368790534 /nfs/dbraw/zinc/79/05/34/368790534.db2.gz LHEHNOPWLTWJFI-GFCCVEGCSA-N 2 1 252.427 3.011 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)c(F)c1 ZINC000036953151 369041448 /nfs/dbraw/zinc/04/14/48/369041448.db2.gz IRDMUNOWASNKOL-NDNKKMJESA-N 2 1 280.362 3.241 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC000036953151 369041454 /nfs/dbraw/zinc/04/14/54/369041454.db2.gz IRDMUNOWASNKOL-NDNKKMJESA-N 2 1 280.362 3.241 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000035016050 368989318 /nfs/dbraw/zinc/98/93/18/368989318.db2.gz LKSQXAGSBRGNPR-KRWDZBQOSA-N 2 1 260.425 3.458 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000037644372 369094246 /nfs/dbraw/zinc/09/42/46/369094246.db2.gz AVGATAKEBBVTGY-KTAKPFMOSA-N 2 1 276.399 3.003 20 0 CGADMP Cc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000037648910 369095956 /nfs/dbraw/zinc/09/59/56/369095956.db2.gz RCXJTMQQIOFHSX-FAEJEUNOSA-N 2 1 284.447 3.315 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649511 369097405 /nfs/dbraw/zinc/09/74/05/369097405.db2.gz AHOJUSPEAVFHJY-GOEBONIOSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]1C ZINC000495084778 244355711 /nfs/dbraw/zinc/35/57/11/244355711.db2.gz NCNGGHOKQNJONY-RWQQGDIJSA-N 2 1 286.463 3.185 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000049553852 369409124 /nfs/dbraw/zinc/40/91/24/369409124.db2.gz FTIXDWXXVRNROT-VHSXEESVSA-N 2 1 260.834 3.392 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000051919478 369455967 /nfs/dbraw/zinc/45/59/67/369455967.db2.gz BKYKTYQOAVEASN-LLVKDONJSA-N 2 1 272.845 3.223 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000052062050 369463289 /nfs/dbraw/zinc/46/32/89/369463289.db2.gz XEKIYBROZADAQJ-GUYCJALGSA-N 2 1 254.377 3.009 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000052209594 369467715 /nfs/dbraw/zinc/46/77/15/369467715.db2.gz URNOTTLGAADIDL-UHFFFAOYSA-N 2 1 293.455 3.235 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC(C)C)cc1F ZINC000059181177 369579145 /nfs/dbraw/zinc/57/91/45/369579145.db2.gz OWEXBMWZUSYWMK-UHFFFAOYSA-N 2 1 261.344 3.065 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000066057163 369688689 /nfs/dbraw/zinc/68/86/89/369688689.db2.gz KUWGDGQMWJDOPD-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000068691280 369746522 /nfs/dbraw/zinc/74/65/22/369746522.db2.gz UYUFBDSYDWGQJD-STQMWFEESA-N 2 1 289.448 3.289 20 0 CGADMP CSc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000069754046 369771292 /nfs/dbraw/zinc/77/12/92/369771292.db2.gz DAQOYHPSIYKEPJ-UHFFFAOYSA-N 2 1 275.421 3.093 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000069754342 369771307 /nfs/dbraw/zinc/77/13/07/369771307.db2.gz BFOSNCOOMZEJGE-SWLSCSKDSA-N 2 1 273.380 3.088 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858012 369840462 /nfs/dbraw/zinc/84/04/62/369840462.db2.gz OWJCOAGIOGKMOV-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858012 369840467 /nfs/dbraw/zinc/84/04/67/369840467.db2.gz OWJCOAGIOGKMOV-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858012 369840471 /nfs/dbraw/zinc/84/04/71/369840471.db2.gz OWJCOAGIOGKMOV-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC000072858470 369841178 /nfs/dbraw/zinc/84/11/78/369841178.db2.gz DWJRSVPKKJCICG-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC000072858470 369841182 /nfs/dbraw/zinc/84/11/82/369841182.db2.gz DWJRSVPKKJCICG-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000072858470 369841188 /nfs/dbraw/zinc/84/11/88/369841188.db2.gz DWJRSVPKKJCICG-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000072858470 369841194 /nfs/dbraw/zinc/84/11/94/369841194.db2.gz DWJRSVPKKJCICG-QGZVFWFLSA-N 2 1 290.451 3.247 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070169556 369786471 /nfs/dbraw/zinc/78/64/71/369786471.db2.gz IURRWDXEDMJFLM-OAHLLOKOSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000070174971 369787682 /nfs/dbraw/zinc/78/76/82/369787682.db2.gz IGKPRMCTFWLCHJ-RYUDHWBXSA-N 2 1 289.810 3.452 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043403 370089343 /nfs/dbraw/zinc/08/93/43/370089343.db2.gz UQVBHHTUZSSFKN-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043403 370089346 /nfs/dbraw/zinc/08/93/46/370089346.db2.gz UQVBHHTUZSSFKN-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043403 370089349 /nfs/dbraw/zinc/08/93/49/370089349.db2.gz UQVBHHTUZSSFKN-NVXWUHKLSA-N 2 1 276.399 3.050 20 0 CGADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093089021 370108545 /nfs/dbraw/zinc/10/85/45/370108545.db2.gz LFHMEIXUWWGGKU-CZUORRHYSA-N 2 1 276.424 3.177 20 0 CGADMP Cc1ccoc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564037 370143554 /nfs/dbraw/zinc/14/35/54/370143554.db2.gz OWYBNMNSFUCKGG-OAHLLOKOSA-N 2 1 262.397 3.038 20 0 CGADMP Cc1ccoc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564037 370143560 /nfs/dbraw/zinc/14/35/60/370143560.db2.gz OWYBNMNSFUCKGG-OAHLLOKOSA-N 2 1 262.397 3.038 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638628 370151551 /nfs/dbraw/zinc/15/15/51/370151551.db2.gz FSBLQJZRGGVIOG-MLGOLLRUSA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638628 370151556 /nfs/dbraw/zinc/15/15/56/370151556.db2.gz FSBLQJZRGGVIOG-MLGOLLRUSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638628 370151560 /nfs/dbraw/zinc/15/15/60/370151560.db2.gz FSBLQJZRGGVIOG-MLGOLLRUSA-N 2 1 282.378 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638628 370151564 /nfs/dbraw/zinc/15/15/64/370151564.db2.gz FSBLQJZRGGVIOG-MLGOLLRUSA-N 2 1 282.378 3.127 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc3ccccc23)C1 ZINC000093770121 370158065 /nfs/dbraw/zinc/15/80/65/370158065.db2.gz QIYYZXPIXQCHRI-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc3ccccc23)C1 ZINC000093770121 370158068 /nfs/dbraw/zinc/15/80/68/370158068.db2.gz QIYYZXPIXQCHRI-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000093770121 370158075 /nfs/dbraw/zinc/15/80/75/370158075.db2.gz QIYYZXPIXQCHRI-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000093770121 370158078 /nfs/dbraw/zinc/15/80/78/370158078.db2.gz QIYYZXPIXQCHRI-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP CC(C)C(C[NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000511976296 245015078 /nfs/dbraw/zinc/01/50/78/245015078.db2.gz AUNMXGXKSMSPHE-UHFFFAOYSA-N 2 1 283.485 3.223 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512050560 245017424 /nfs/dbraw/zinc/01/74/24/245017424.db2.gz CVYZHASGUJENSQ-SJDLMVEWSA-N 2 1 294.389 3.300 20 0 CGADMP Cn1cc[nH+]c1CC1CC[NH+](CCC(C)(C)C)CC1 ZINC000112697897 370442150 /nfs/dbraw/zinc/44/21/50/370442150.db2.gz GOZCGVGRCAVXMZ-UHFFFAOYSA-N 2 1 263.429 3.111 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000113516412 370476124 /nfs/dbraw/zinc/47/61/24/370476124.db2.gz VYKAJJKPZJETEU-MRXNPFEDSA-N 2 1 268.404 3.223 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCn2ccc3ccccc32)CC[N@H+]1C ZINC000129636969 370996060 /nfs/dbraw/zinc/99/60/60/370996060.db2.gz SJSXFXDNGBKKHI-RDJZCZTQSA-N 2 1 285.435 3.104 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)c2ccsc2S1 ZINC000130174878 371016993 /nfs/dbraw/zinc/01/69/93/371016993.db2.gz NRMNBJCJYDDTPV-CMPLNLGQSA-N 2 1 270.467 3.215 20 0 CGADMP C[N@H+](CCc1cccc2ccccc21)CCn1ccnc1 ZINC000131397872 371104714 /nfs/dbraw/zinc/10/47/14/371104714.db2.gz JLJMPWPNQBNWMI-UHFFFAOYSA-N 2 1 279.387 3.211 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)ccc2c1 ZINC000132216364 371158789 /nfs/dbraw/zinc/15/87/89/371158789.db2.gz LCGHGIMHCCOKCO-DYVFJYSZSA-N 2 1 284.403 3.018 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000133638920 371267954 /nfs/dbraw/zinc/26/79/54/371267954.db2.gz OKDNIKYVSFDDCV-JMSVASOKSA-N 2 1 298.377 3.106 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135199241 371399372 /nfs/dbraw/zinc/39/93/72/371399372.db2.gz VAGZOXWAFUFBLI-NUJGCVRESA-N 2 1 270.420 3.280 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000151126955 371573741 /nfs/dbraw/zinc/57/37/41/371573741.db2.gz TVGPUNRAQREARS-DZGCQCFKSA-N 2 1 278.465 3.447 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000152029616 371665979 /nfs/dbraw/zinc/66/59/79/371665979.db2.gz YOUOSDUJJQUKSZ-WBVHZDCISA-N 2 1 274.452 3.284 20 0 CGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000421852296 371674098 /nfs/dbraw/zinc/67/40/98/371674098.db2.gz GXOGVBQSGMCWLM-VXGBXAGGSA-N 2 1 284.831 3.197 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353316342 220023024 /nfs/dbraw/zinc/02/30/24/220023024.db2.gz SNBZDNPKFKZQHV-STQMWFEESA-N 2 1 274.399 3.132 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(C2CC2)c1 ZINC000422556484 371748283 /nfs/dbraw/zinc/74/82/83/371748283.db2.gz SZVCBGFNAFGKCJ-OALUTQOASA-N 2 1 284.447 3.386 20 0 CGADMP CSC1(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000289654254 371783764 /nfs/dbraw/zinc/78/37/64/371783764.db2.gz LRODFHXUZJKFCS-UHFFFAOYSA-N 2 1 292.448 3.129 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337327655 214009839 /nfs/dbraw/zinc/00/98/39/214009839.db2.gz DKGVNOXTLDSYAR-MAUKXSAKSA-N 2 1 287.451 3.182 20 0 CGADMP C[C@H]([NH2+]CCSCc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000422775002 371799261 /nfs/dbraw/zinc/79/92/61/371799261.db2.gz ZJOOCVLCHPJYLA-BBRMVZONSA-N 2 1 296.455 3.179 20 0 CGADMP CC(C)[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000422880643 371852100 /nfs/dbraw/zinc/85/21/00/371852100.db2.gz XIWJUABPQDPRDB-HNNXBMFYSA-N 2 1 268.351 3.004 20 0 CGADMP C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422900312 371861760 /nfs/dbraw/zinc/86/17/60/371861760.db2.gz AMVQYPRCZSUFDB-HIFRSBDPSA-N 2 1 276.449 3.041 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1F ZINC000422915017 371865479 /nfs/dbraw/zinc/86/54/79/371865479.db2.gz AGYJBMPRCCLECB-TUURBPCVSA-N 2 1 280.362 3.289 20 0 CGADMP CC[C@@H]([NH2+]CCc1cc2ccccc2o1)[C@@H]1CCC[NH2+]1 ZINC000422919706 371869491 /nfs/dbraw/zinc/86/94/91/371869491.db2.gz KXSBPLWENAOSDA-CVEARBPZSA-N 2 1 272.392 3.096 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422850360 371840123 /nfs/dbraw/zinc/84/01/23/371840123.db2.gz CZUOZJOMBANSNT-HOTGVXAUSA-N 2 1 296.455 3.438 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422966615 371895864 /nfs/dbraw/zinc/89/58/64/371895864.db2.gz NWBMFSNRMXORJB-XLNTUCKNSA-N 2 1 294.442 3.481 20 0 CGADMP Cc1cc(C)c(CC[NH2+][C@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000422997770 371907299 /nfs/dbraw/zinc/90/72/99/371907299.db2.gz BWSDUEDOEAKUSI-OAHLLOKOSA-N 2 1 283.419 3.313 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422999927 371908139 /nfs/dbraw/zinc/90/81/39/371908139.db2.gz GAKUHHSTQYPKGE-CYBMUJFWSA-N 2 1 299.418 3.131 20 0 CGADMP CSc1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)ccn1 ZINC000422996564 371908386 /nfs/dbraw/zinc/90/83/86/371908386.db2.gz TULGVYSNMQXJLK-DZGCQCFKSA-N 2 1 293.480 3.204 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000290318933 371961865 /nfs/dbraw/zinc/96/18/65/371961865.db2.gz CVOYRFCANVHLQT-RHSMWYFYSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000290318933 371961866 /nfs/dbraw/zinc/96/18/66/371961866.db2.gz CVOYRFCANVHLQT-RHSMWYFYSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000290318933 371961867 /nfs/dbraw/zinc/96/18/67/371961867.db2.gz CVOYRFCANVHLQT-RHSMWYFYSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000290318933 371961868 /nfs/dbraw/zinc/96/18/68/371961868.db2.gz CVOYRFCANVHLQT-RHSMWYFYSA-N 2 1 260.425 3.075 20 0 CGADMP C[C@H]([NH2+]CCn1ccc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000423100760 371965343 /nfs/dbraw/zinc/96/53/43/371965343.db2.gz HJSDLHLGGMVUGD-SWLSCSKDSA-N 2 1 291.826 3.025 20 0 CGADMP CSc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423101919 371965679 /nfs/dbraw/zinc/96/56/79/371965679.db2.gz WMKUMTJASNOFDH-CZUORRHYSA-N 2 1 278.465 3.071 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000156293266 371972009 /nfs/dbraw/zinc/97/20/09/371972009.db2.gz MBCWPKOMHSPMTF-BLLLJJGKSA-N 2 1 278.827 3.259 20 0 CGADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423124987 371979337 /nfs/dbraw/zinc/97/93/37/371979337.db2.gz PSINTTACBSAXNR-SJORKVTESA-N 2 1 290.451 3.132 20 0 CGADMP Cc1cc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1Cl ZINC000423133861 371985095 /nfs/dbraw/zinc/98/50/95/371985095.db2.gz DJBCSZXXTRWSAU-GFCCVEGCSA-N 2 1 289.810 3.349 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000156575638 371987072 /nfs/dbraw/zinc/98/70/72/371987072.db2.gz YDGYQYSEHDJGFS-YRGRVCCFSA-N 2 1 264.438 3.198 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)CC[N@H+]1C ZINC000156575638 371987077 /nfs/dbraw/zinc/98/70/77/371987077.db2.gz YDGYQYSEHDJGFS-YRGRVCCFSA-N 2 1 264.438 3.198 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1c[nH+]ccc1N ZINC000423137389 371987341 /nfs/dbraw/zinc/98/73/41/371987341.db2.gz WKBLNKCFANMWCY-NWDGAFQWSA-N 2 1 283.366 3.360 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1c[nH+]ccc1N ZINC000423165850 371997657 /nfs/dbraw/zinc/99/76/57/371997657.db2.gz QNJSYVWRRJGKLR-OLZOCXBDSA-N 2 1 261.413 3.361 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000423162476 371998346 /nfs/dbraw/zinc/99/83/46/371998346.db2.gz PLBGECJXEKRKIJ-RBUKOAKNSA-N 2 1 295.430 3.281 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3sccc32)CCCCC1 ZINC000423187901 372014757 /nfs/dbraw/zinc/01/47/57/372014757.db2.gz YLNIOKQFSZPORH-ZDUSSCGKSA-N 2 1 264.438 3.377 20 0 CGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259901 372043948 /nfs/dbraw/zinc/04/39/48/372043948.db2.gz FYQRPSQVOJLVNZ-WBAXXEDZSA-N 2 1 290.451 3.260 20 0 CGADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000423359226 372056146 /nfs/dbraw/zinc/05/61/46/372056146.db2.gz CYYSWAFRUPYVPG-KHYVRNETSA-N 2 1 294.389 3.044 20 0 CGADMP CC(C)[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cn1 ZINC000423175358 372004457 /nfs/dbraw/zinc/00/44/57/372004457.db2.gz DTVPFTKAQGPIDC-HNNXBMFYSA-N 2 1 279.403 3.169 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000423435913 372063754 /nfs/dbraw/zinc/06/37/54/372063754.db2.gz DUPVZPNNHCSEHL-PGUXBMHVSA-N 2 1 266.816 3.433 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000423534725 372072243 /nfs/dbraw/zinc/07/22/43/372072243.db2.gz WPXGRPORCREGAM-KDOFPFPSSA-N 2 1 298.434 3.040 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000159271414 372125226 /nfs/dbraw/zinc/12/52/26/372125226.db2.gz ODMASQLOTXMGMX-QGZVFWFLSA-N 2 1 276.424 3.220 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002709 372301722 /nfs/dbraw/zinc/30/17/22/372301722.db2.gz VNXQHZLLPILHLH-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002709 372301726 /nfs/dbraw/zinc/30/17/26/372301726.db2.gz VNXQHZLLPILHLH-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002709 372301731 /nfs/dbraw/zinc/30/17/31/372301731.db2.gz VNXQHZLLPILHLH-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)C1 ZINC000429002709 372301738 /nfs/dbraw/zinc/30/17/38/372301738.db2.gz VNXQHZLLPILHLH-IAGOWNOFSA-N 2 1 290.838 3.355 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)CCC1 ZINC000429349927 372354251 /nfs/dbraw/zinc/35/42/51/372354251.db2.gz AWXVLJQQTXJZPK-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000344336754 217156492 /nfs/dbraw/zinc/15/64/92/217156492.db2.gz VMPICOJVIBFBIZ-GFCCVEGCSA-N 2 1 294.439 3.460 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccsc2C)CC1 ZINC000293527954 372402994 /nfs/dbraw/zinc/40/29/94/372402994.db2.gz JCLSKANGEBQMSK-UHFFFAOYSA-N 2 1 266.454 3.411 20 0 CGADMP C[C@H](CN)[N@H+](C)CCCSc1ccccc1Cl ZINC000430919209 372404677 /nfs/dbraw/zinc/40/46/77/372404677.db2.gz KIQLVGLFHXKOIW-LLVKDONJSA-N 2 1 272.845 3.101 20 0 CGADMP C[C@H](CN)[N@@H+](C)CCCSc1ccccc1Cl ZINC000430919209 372404681 /nfs/dbraw/zinc/40/46/81/372404681.db2.gz KIQLVGLFHXKOIW-LLVKDONJSA-N 2 1 272.845 3.101 20 0 CGADMP C[C@H](C[NH3+])[N@H+](C)CCCSc1ccccc1Cl ZINC000430919209 372404688 /nfs/dbraw/zinc/40/46/88/372404688.db2.gz KIQLVGLFHXKOIW-LLVKDONJSA-N 2 1 272.845 3.101 20 0 CGADMP C[C@H](C[NH3+])[N@@H+](C)CCCSc1ccccc1Cl ZINC000430919209 372404692 /nfs/dbraw/zinc/40/46/92/372404692.db2.gz KIQLVGLFHXKOIW-LLVKDONJSA-N 2 1 272.845 3.101 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000293770829 372475929 /nfs/dbraw/zinc/47/59/29/372475929.db2.gz SEKYREFMTDWEEG-CSFVBSKPSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000293770829 372475932 /nfs/dbraw/zinc/47/59/32/372475932.db2.gz SEKYREFMTDWEEG-CSFVBSKPSA-N 2 1 276.399 3.144 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684072 372449057 /nfs/dbraw/zinc/44/90/57/372449057.db2.gz PZAWVDLLBZKOQV-BWDYHRDRSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684072 372449060 /nfs/dbraw/zinc/44/90/60/372449060.db2.gz PZAWVDLLBZKOQV-BWDYHRDRSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684072 372449062 /nfs/dbraw/zinc/44/90/62/372449062.db2.gz PZAWVDLLBZKOQV-BWDYHRDRSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684072 372449064 /nfs/dbraw/zinc/44/90/64/372449064.db2.gz PZAWVDLLBZKOQV-BWDYHRDRSA-N 2 1 288.410 3.257 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(F)ccc1F ZINC000163239705 372455428 /nfs/dbraw/zinc/45/54/28/372455428.db2.gz YRKBKAOOAQOBMK-MLGOLLRUSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(F)ccc1F ZINC000163239705 372455434 /nfs/dbraw/zinc/45/54/34/372455434.db2.gz YRKBKAOOAQOBMK-MLGOLLRUSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1C=CCCCCC1 ZINC000293902585 372517351 /nfs/dbraw/zinc/51/73/51/372517351.db2.gz WGQPFKIVVXLFHW-MRXNPFEDSA-N 2 1 261.413 3.402 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1C=CCCCCC1 ZINC000293902585 372517361 /nfs/dbraw/zinc/51/73/61/372517361.db2.gz WGQPFKIVVXLFHW-MRXNPFEDSA-N 2 1 261.413 3.402 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000164701503 372530130 /nfs/dbraw/zinc/53/01/30/372530130.db2.gz LZSMCOGHJPROCD-ZDUSSCGKSA-N 2 1 261.369 3.224 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000169041147 372625029 /nfs/dbraw/zinc/62/50/29/372625029.db2.gz SFVOGFLYWSTHQO-XOKHGSTOSA-N 2 1 292.854 3.487 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccsc2C)C1 ZINC000295363389 372750048 /nfs/dbraw/zinc/75/00/48/372750048.db2.gz NYSPSSZSIAFTDA-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccsc2C)C1 ZINC000295363389 372750058 /nfs/dbraw/zinc/75/00/58/372750058.db2.gz NYSPSSZSIAFTDA-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCSc1cccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c1 ZINC000435375741 372753476 /nfs/dbraw/zinc/75/34/76/372753476.db2.gz OIRSPFMEOXILFE-HNNXBMFYSA-N 2 1 278.465 3.230 20 0 CGADMP CCSc1cccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c1 ZINC000435375741 372753477 /nfs/dbraw/zinc/75/34/77/372753477.db2.gz OIRSPFMEOXILFE-HNNXBMFYSA-N 2 1 278.465 3.230 20 0 CGADMP CCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435391819 372758617 /nfs/dbraw/zinc/75/86/17/372758617.db2.gz ULVZVXRVORJAKK-MRXNPFEDSA-N 2 1 276.424 3.049 20 0 CGADMP CC(C)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435424771 372763156 /nfs/dbraw/zinc/76/31/56/372763156.db2.gz AOINXOOJXXTGQG-HNNXBMFYSA-N 2 1 278.465 3.348 20 0 CGADMP Cn1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000344612316 217247752 /nfs/dbraw/zinc/24/77/52/217247752.db2.gz CQYUERXFLOYBGP-UHFFFAOYSA-N 2 1 299.462 3.273 20 0 CGADMP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435743395 372800999 /nfs/dbraw/zinc/80/09/99/372800999.db2.gz RNNKALDXAGWKHQ-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435749954 372803842 /nfs/dbraw/zinc/80/38/42/372803842.db2.gz VYMIHIDTTZTXBC-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000344769374 217305646 /nfs/dbraw/zinc/30/56/46/217305646.db2.gz KLHCNMKOYYAERW-DOTOQJQBSA-N 2 1 275.440 3.072 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1scnc1C ZINC000344817957 217320593 /nfs/dbraw/zinc/32/05/93/217320593.db2.gz KSEBLIYJMISEOC-GJZGRUSLSA-N 2 1 295.496 3.442 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000172841763 373046374 /nfs/dbraw/zinc/04/63/74/373046374.db2.gz MDYDOEJYXUMHRK-IUODEOHRSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000172841763 373046376 /nfs/dbraw/zinc/04/63/76/373046376.db2.gz MDYDOEJYXUMHRK-IUODEOHRSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000172841763 373046381 /nfs/dbraw/zinc/04/63/81/373046381.db2.gz MDYDOEJYXUMHRK-IUODEOHRSA-N 2 1 266.816 3.255 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000172841763 373046385 /nfs/dbraw/zinc/04/63/85/373046385.db2.gz MDYDOEJYXUMHRK-IUODEOHRSA-N 2 1 266.816 3.255 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000296327459 373091621 /nfs/dbraw/zinc/09/16/21/373091621.db2.gz HCNHQYSPLUKFHK-DKUMPPAJSA-N 2 1 264.438 3.414 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000296360507 373103614 /nfs/dbraw/zinc/10/36/14/373103614.db2.gz HYUUMEWDPNPTBK-QWHCGFSZSA-N 2 1 275.421 3.166 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000442856176 373105511 /nfs/dbraw/zinc/10/55/11/373105511.db2.gz OCQSGMSSQOLTPE-CYBMUJFWSA-N 2 1 276.449 3.321 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442920370 373127389 /nfs/dbraw/zinc/12/73/89/373127389.db2.gz KZPUJQAGDOHDND-HNNXBMFYSA-N 2 1 276.424 3.035 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000442918083 373128631 /nfs/dbraw/zinc/12/86/31/373128631.db2.gz FSBJUXVFIVCQCI-CXLRFSCWSA-N 2 1 280.362 3.039 20 0 CGADMP CCc1ccccc1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000444638536 373216814 /nfs/dbraw/zinc/21/68/14/373216814.db2.gz JEAFCLHRAXGDGE-RTBURBONSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000444638536 373216822 /nfs/dbraw/zinc/21/68/22/373216822.db2.gz JEAFCLHRAXGDGE-RTBURBONSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccccc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000444638536 373216830 /nfs/dbraw/zinc/21/68/30/373216830.db2.gz JEAFCLHRAXGDGE-RTBURBONSA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000444662924 373224284 /nfs/dbraw/zinc/22/42/84/373224284.db2.gz JQWSZQYZLSSYNT-QFBILLFUSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000444662924 373224289 /nfs/dbraw/zinc/22/42/89/373224289.db2.gz JQWSZQYZLSSYNT-QFBILLFUSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccccc1CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000444662924 373224296 /nfs/dbraw/zinc/22/42/96/373224296.db2.gz JQWSZQYZLSSYNT-QFBILLFUSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000444662925 373224978 /nfs/dbraw/zinc/22/49/78/373224978.db2.gz JQWSZQYZLSSYNT-VQIMIIECSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000444662925 373224980 /nfs/dbraw/zinc/22/49/80/373224980.db2.gz JQWSZQYZLSSYNT-VQIMIIECSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccccc1CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000444662925 373224982 /nfs/dbraw/zinc/22/49/82/373224982.db2.gz JQWSZQYZLSSYNT-VQIMIIECSA-N 2 1 288.479 3.454 20 0 CGADMP FC(F)(F)C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444698360 373242144 /nfs/dbraw/zinc/24/21/44/373242144.db2.gz CDAYNYMGVYZULT-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP FC(F)(F)C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444698360 373242147 /nfs/dbraw/zinc/24/21/47/373242147.db2.gz CDAYNYMGVYZULT-ZDUSSCGKSA-N 2 1 278.362 3.137 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1F ZINC000444739411 373256774 /nfs/dbraw/zinc/25/67/74/373256774.db2.gz AIHVGKAZIOAGND-HNNXBMFYSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1F ZINC000444739411 373256778 /nfs/dbraw/zinc/25/67/78/373256778.db2.gz AIHVGKAZIOAGND-HNNXBMFYSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)ccc1F ZINC000444739411 373256782 /nfs/dbraw/zinc/25/67/82/373256782.db2.gz AIHVGKAZIOAGND-HNNXBMFYSA-N 2 1 264.388 3.050 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)ccc1F ZINC000444739411 373256787 /nfs/dbraw/zinc/25/67/87/373256787.db2.gz AIHVGKAZIOAGND-HNNXBMFYSA-N 2 1 264.388 3.050 20 0 CGADMP c1cc(N2CCC(Nc3cc(C4CC4)cc[nH+]3)CC2)cc[nH+]1 ZINC000297439107 373270759 /nfs/dbraw/zinc/27/07/59/373270759.db2.gz OAOPSKZLZUXCFE-UHFFFAOYSA-N 2 1 294.402 3.435 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CC(C)(C)C)C1 ZINC000448555785 373590930 /nfs/dbraw/zinc/59/09/30/373590930.db2.gz VHXJAOHXIVWCLC-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000448555785 373590934 /nfs/dbraw/zinc/59/09/34/373590934.db2.gz VHXJAOHXIVWCLC-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000448555785 373590937 /nfs/dbraw/zinc/59/09/37/373590937.db2.gz VHXJAOHXIVWCLC-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CC2(CCC2)C1)Cc1ccccc1 ZINC000448057513 373543881 /nfs/dbraw/zinc/54/38/81/373543881.db2.gz CSCKWNUKBLRCBL-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP COCC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000449083989 373660801 /nfs/dbraw/zinc/66/08/01/373660801.db2.gz VZSLTWJNXWEVGP-WWDZGPRUSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1F ZINC000353657194 220230741 /nfs/dbraw/zinc/23/07/41/220230741.db2.gz UHDRKRDJXXHIHH-MRXNPFEDSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1F ZINC000353657194 220230743 /nfs/dbraw/zinc/23/07/43/220230743.db2.gz UHDRKRDJXXHIHH-MRXNPFEDSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1F ZINC000353657194 220230746 /nfs/dbraw/zinc/23/07/46/220230746.db2.gz UHDRKRDJXXHIHH-MRXNPFEDSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1F ZINC000353657194 220230747 /nfs/dbraw/zinc/23/07/47/220230747.db2.gz UHDRKRDJXXHIHH-MRXNPFEDSA-N 2 1 278.415 3.440 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449443948 373719644 /nfs/dbraw/zinc/71/96/44/373719644.db2.gz XCXVQNQGQBRSAR-CYBMUJFWSA-N 2 1 281.469 3.429 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000177931820 373727473 /nfs/dbraw/zinc/72/74/73/373727473.db2.gz QRJNESYVPXJQEM-GDBMZVCRSA-N 2 1 294.414 3.057 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)nc2)C[C@@H]1C ZINC000353657761 220231020 /nfs/dbraw/zinc/23/10/20/220231020.db2.gz HICDXNPFMJNYBP-WMZOPIPTSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc(C)nc2)C[C@@H]1C ZINC000353657761 220231021 /nfs/dbraw/zinc/23/10/21/220231021.db2.gz HICDXNPFMJNYBP-WMZOPIPTSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc(C)nc2)C[C@@H]1C ZINC000353657761 220231023 /nfs/dbraw/zinc/23/10/23/220231023.db2.gz HICDXNPFMJNYBP-WMZOPIPTSA-N 2 1 289.467 3.127 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000178751101 373808403 /nfs/dbraw/zinc/80/84/03/373808403.db2.gz SZPVAQPOXNZJPU-UONOGXRCSA-N 2 1 250.386 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000178751101 373808407 /nfs/dbraw/zinc/80/84/07/373808407.db2.gz SZPVAQPOXNZJPU-UONOGXRCSA-N 2 1 250.386 3.051 20 0 CGADMP c1ccc(C[N@@H+](CC2CCC2)CC2CC[NH2+]CC2)cc1 ZINC000178965826 373821675 /nfs/dbraw/zinc/82/16/75/373821675.db2.gz JHFFWQNLJJLHTL-UHFFFAOYSA-N 2 1 272.436 3.288 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCCCCC2)s1 ZINC000449487284 373777365 /nfs/dbraw/zinc/77/73/65/373777365.db2.gz XNDYNMMJFGVQRQ-UHFFFAOYSA-N 2 1 281.469 3.265 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000449742689 373873857 /nfs/dbraw/zinc/87/38/57/373873857.db2.gz QIVVGCYMLQMSJC-HKUYNNGSSA-N 2 1 284.447 3.287 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC000180041793 373957364 /nfs/dbraw/zinc/95/73/64/373957364.db2.gz VOIZTZPAXCCXRW-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000180041793 373957368 /nfs/dbraw/zinc/95/73/68/373957368.db2.gz VOIZTZPAXCCXRW-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000180041793 373957371 /nfs/dbraw/zinc/95/73/71/373957371.db2.gz VOIZTZPAXCCXRW-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000289523091 197388595 /nfs/dbraw/zinc/38/85/95/197388595.db2.gz GCWAYLNGLQXIRD-UHFFFAOYSA-N 2 1 277.799 3.141 20 0 CGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3nccn32)C12CCC2 ZINC000180749078 374041278 /nfs/dbraw/zinc/04/12/78/374041278.db2.gz CGWJSDXOJFALSU-HZPDHXFCSA-N 2 1 299.418 3.114 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1cccc(C)c1 ZINC000181186126 374090895 /nfs/dbraw/zinc/09/08/95/374090895.db2.gz HCVZTKRUCLNLPG-UHFFFAOYSA-N 2 1 285.435 3.455 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1cccc(C)c1 ZINC000181186126 374090900 /nfs/dbraw/zinc/09/09/00/374090900.db2.gz HCVZTKRUCLNLPG-UHFFFAOYSA-N 2 1 285.435 3.455 20 0 CGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000451405758 374199865 /nfs/dbraw/zinc/19/98/65/374199865.db2.gz ISQIWSIKDJSDFD-AGIUHOORSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000451405758 374199870 /nfs/dbraw/zinc/19/98/70/374199870.db2.gz ISQIWSIKDJSDFD-AGIUHOORSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000451405758 374199880 /nfs/dbraw/zinc/19/98/80/374199880.db2.gz ISQIWSIKDJSDFD-AGIUHOORSA-N 2 1 278.362 3.134 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC(F)(F)C1 ZINC000309823290 374200066 /nfs/dbraw/zinc/20/00/66/374200066.db2.gz GTYVFZAWBPWUBF-OAHLLOKOSA-N 2 1 282.378 3.273 20 0 CGADMP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000182059931 374210674 /nfs/dbraw/zinc/21/06/74/374210674.db2.gz YALFEIJAUUFAIQ-SJLPKXTDSA-N 2 1 290.451 3.466 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452064171 374222058 /nfs/dbraw/zinc/22/20/58/374222058.db2.gz ZEXPWMNUTSZZOB-YCPHGPKFSA-N 2 1 263.429 3.386 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181907274 374190337 /nfs/dbraw/zinc/19/03/37/374190337.db2.gz DEGHLFZGFPZSGX-OAHLLOKOSA-N 2 1 294.414 3.217 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000312015707 374265457 /nfs/dbraw/zinc/26/54/57/374265457.db2.gz VEHNCGJWLJZSOT-HUUCEWRRSA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183192391 374383950 /nfs/dbraw/zinc/38/39/50/374383950.db2.gz CPORKUXKBBVSLK-QLFBSQMISA-N 2 1 252.446 3.274 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453344938 374436352 /nfs/dbraw/zinc/43/63/52/374436352.db2.gz JLXPKAACGYPYTR-KRWWSPQJSA-N 2 1 270.420 3.197 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC12CCCC2)C1CC1 ZINC000453399853 374472708 /nfs/dbraw/zinc/47/27/08/374472708.db2.gz LSWHNWZNEACBHC-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000453407049 374475004 /nfs/dbraw/zinc/47/50/04/374475004.db2.gz RSDGXRBJOMUEEJ-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000090408304 541961073 /nfs/dbraw/zinc/96/10/73/541961073.db2.gz VQZDKAWCFCFQFL-GXTWGEPZSA-N 2 1 281.469 3.223 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000090408304 541961079 /nfs/dbraw/zinc/96/10/79/541961079.db2.gz VQZDKAWCFCFQFL-GXTWGEPZSA-N 2 1 281.469 3.223 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000090586944 541962004 /nfs/dbraw/zinc/96/20/04/541962004.db2.gz JZOPYUZQNAHVIL-UKRRQHHQSA-N 2 1 295.496 3.470 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000090586944 541962010 /nfs/dbraw/zinc/96/20/10/541962010.db2.gz JZOPYUZQNAHVIL-UKRRQHHQSA-N 2 1 295.496 3.470 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185230326 374614915 /nfs/dbraw/zinc/61/49/15/374614915.db2.gz SLTDLUOZAOGHFH-HZPDHXFCSA-N 2 1 293.455 3.153 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000334222536 374660119 /nfs/dbraw/zinc/66/01/19/374660119.db2.gz VPKDVOMROJBMGB-VNCIIQTRSA-N 2 1 272.436 3.037 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000334222536 374660124 /nfs/dbraw/zinc/66/01/24/374660124.db2.gz VPKDVOMROJBMGB-VNCIIQTRSA-N 2 1 272.436 3.037 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccnc1 ZINC000185881257 374759962 /nfs/dbraw/zinc/75/99/62/374759962.db2.gz DOZIQTYOBWXTCY-KRWDZBQOSA-N 2 1 275.440 3.385 20 0 CGADMP COCCCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681300 374713822 /nfs/dbraw/zinc/71/38/22/374713822.db2.gz JEMUYHOFNJYLNJ-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Cl)c(F)c1 ZINC000334413097 374729086 /nfs/dbraw/zinc/72/90/86/374729086.db2.gz MHZJUYTWWUDHBU-MWLCHTKSSA-N 2 1 293.773 3.410 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000186087533 374796284 /nfs/dbraw/zinc/79/62/84/374796284.db2.gz VMGIWUYCXQUHQM-ZDUSSCGKSA-N 2 1 282.453 3.283 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000459739534 374817204 /nfs/dbraw/zinc/81/72/04/374817204.db2.gz SUBPNDYJIAUTLE-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459724961 374817361 /nfs/dbraw/zinc/81/73/61/374817361.db2.gz AVFRLAYVRBGRLM-FXUDXRNXSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000186402776 374844046 /nfs/dbraw/zinc/84/40/46/374844046.db2.gz RSGVETLZFKVGQZ-INIZCTEOSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[NH+](C)C)CCS2 ZINC000186913500 374937944 /nfs/dbraw/zinc/93/79/44/374937944.db2.gz MLXCPCBCDLVLQO-OAHLLOKOSA-N 2 1 278.465 3.382 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H](C)C1CCSCC1)C(C)C ZINC000186927781 374940260 /nfs/dbraw/zinc/94/02/60/374940260.db2.gz SFYHNUFPSLNZQI-AWEZNQCLSA-N 2 1 272.502 3.227 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000187754976 375089702 /nfs/dbraw/zinc/08/97/02/375089702.db2.gz LZVYHZLVPZCAIN-GOEBONIOSA-N 2 1 278.415 3.221 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000474354080 375100917 /nfs/dbraw/zinc/10/09/17/375100917.db2.gz ONNIPCWJBAEMLJ-CYBMUJFWSA-N 2 1 280.843 3.334 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000474354080 375100923 /nfs/dbraw/zinc/10/09/23/375100923.db2.gz ONNIPCWJBAEMLJ-CYBMUJFWSA-N 2 1 280.843 3.334 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C1CCCC1 ZINC000474710449 375127378 /nfs/dbraw/zinc/12/73/78/375127378.db2.gz PSPFBISOJMDIPW-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C1CCCC1 ZINC000474710449 375127387 /nfs/dbraw/zinc/12/73/87/375127387.db2.gz PSPFBISOJMDIPW-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP COCCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000189011616 375311533 /nfs/dbraw/zinc/31/15/33/375311533.db2.gz LSJJSJZMYMFVKQ-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP CCc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000189078526 375319747 /nfs/dbraw/zinc/31/97/47/375319747.db2.gz LSZFAHFGXZMQHS-OAHLLOKOSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000189078526 375319754 /nfs/dbraw/zinc/31/97/54/375319754.db2.gz LSZFAHFGXZMQHS-OAHLLOKOSA-N 2 1 260.425 3.023 20 0 CGADMP CCc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000189078526 375319759 /nfs/dbraw/zinc/31/97/59/375319759.db2.gz LSZFAHFGXZMQHS-OAHLLOKOSA-N 2 1 260.425 3.023 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000502440007 375645634 /nfs/dbraw/zinc/64/56/34/375645634.db2.gz CKRJQJWMBVEVOV-KSZLIROESA-N 2 1 296.499 3.292 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000502440007 375645642 /nfs/dbraw/zinc/64/56/42/375645642.db2.gz CKRJQJWMBVEVOV-KSZLIROESA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3ccccc32)C1 ZINC000192150104 375703010 /nfs/dbraw/zinc/70/30/10/375703010.db2.gz JSBHADACAAQLIV-PBHICJAKSA-N 2 1 281.403 3.155 20 0 CGADMP Cc1cc(C)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000192697538 375780733 /nfs/dbraw/zinc/78/07/33/375780733.db2.gz WVLVYBUCVYQJEF-AYHJJNSGSA-N 2 1 286.463 3.369 20 0 CGADMP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336253517 375765064 /nfs/dbraw/zinc/76/50/64/375765064.db2.gz WXMZLDHJZGITSS-MRXNPFEDSA-N 2 1 274.408 3.264 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3cccnc32)CC1 ZINC000336514080 375801658 /nfs/dbraw/zinc/80/16/58/375801658.db2.gz RXGWGZCSJHPBJQ-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP FC(F)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336406192 375791579 /nfs/dbraw/zinc/79/15/79/375791579.db2.gz FDIBUJVCQIQLMP-PQAZSJQKSA-N 2 1 272.383 3.027 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000193341343 375863706 /nfs/dbraw/zinc/86/37/06/375863706.db2.gz NAGRHEQBZCQBCR-GDBMZVCRSA-N 2 1 254.462 3.235 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000336613161 375874496 /nfs/dbraw/zinc/87/44/96/375874496.db2.gz SNHSOMBYGOMVLO-DZGCQCFKSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000336613161 375874501 /nfs/dbraw/zinc/87/45/01/375874501.db2.gz SNHSOMBYGOMVLO-DZGCQCFKSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000336613161 375874506 /nfs/dbraw/zinc/87/45/06/375874506.db2.gz SNHSOMBYGOMVLO-DZGCQCFKSA-N 2 1 293.480 3.183 20 0 CGADMP CC(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000336613161 375874511 /nfs/dbraw/zinc/87/45/11/375874511.db2.gz SNHSOMBYGOMVLO-DZGCQCFKSA-N 2 1 293.480 3.183 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193463715 375880724 /nfs/dbraw/zinc/88/07/24/375880724.db2.gz DZUCJUIFEOYYBV-ZDUSSCGKSA-N 2 1 282.378 3.444 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193463715 375880729 /nfs/dbraw/zinc/88/07/29/375880729.db2.gz DZUCJUIFEOYYBV-ZDUSSCGKSA-N 2 1 282.378 3.444 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2ccccc21 ZINC000193463798 375881069 /nfs/dbraw/zinc/88/10/69/375881069.db2.gz KZRVTXXPHUWETM-QGZVFWFLSA-N 2 1 258.409 3.092 20 0 CGADMP FCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000336657326 375896921 /nfs/dbraw/zinc/89/69/21/375896921.db2.gz QAICRMCYWPZYHG-KZNAEPCWSA-N 2 1 290.426 3.236 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1ccccc1Cl)C[NH+](C)C ZINC000336715288 375916187 /nfs/dbraw/zinc/91/61/87/375916187.db2.gz PLXXBNBZSVTPHZ-VXGBXAGGSA-N 2 1 254.805 3.188 20 0 CGADMP Cc1sccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000336722764 375921140 /nfs/dbraw/zinc/92/11/40/375921140.db2.gz TVDKQWHAFJSGPN-UHFFFAOYSA-N 2 1 252.427 3.022 20 0 CGADMP CC[N@H+](CCCCn1cc[nH+]c1C)CC(C)(C)C ZINC000336789131 375940394 /nfs/dbraw/zinc/94/03/94/375940394.db2.gz IKAYYOGDUAAIEN-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(C)(C)C ZINC000336789131 375940399 /nfs/dbraw/zinc/94/03/99/375940399.db2.gz IKAYYOGDUAAIEN-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000336845003 376007198 /nfs/dbraw/zinc/00/71/98/376007198.db2.gz LUXIRGORQDDRRR-KRWDZBQOSA-N 2 1 294.483 3.284 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000336845003 376007201 /nfs/dbraw/zinc/00/72/01/376007201.db2.gz LUXIRGORQDDRRR-KRWDZBQOSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1c2c(F)cccc2CCN1CC[C@@H]1CCC[N@H+]1C ZINC000535050726 376017371 /nfs/dbraw/zinc/01/73/71/376017371.db2.gz NBGLKVJRLMFBBJ-HIFRSBDPSA-N 2 1 276.399 3.229 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000536875955 376140126 /nfs/dbraw/zinc/14/01/26/376140126.db2.gz JNWMPGNSMDJMEO-UMVBOHGHSA-N 2 1 296.842 3.037 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1 ZINC000537105593 376147557 /nfs/dbraw/zinc/14/75/57/376147557.db2.gz OCMKMSOEHSKUSV-RDJZCZTQSA-N 2 1 260.425 3.438 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)ccc2c1 ZINC000215977138 376154035 /nfs/dbraw/zinc/15/40/35/376154035.db2.gz DKIPQNIHRMVCEG-DZGCQCFKSA-N 2 1 284.403 3.018 20 0 CGADMP Cc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000536697939 376123231 /nfs/dbraw/zinc/12/32/31/376123231.db2.gz JUPUBWMCPPTIRM-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000536697939 376123233 /nfs/dbraw/zinc/12/32/33/376123233.db2.gz JUPUBWMCPPTIRM-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000536697939 376123236 /nfs/dbraw/zinc/12/32/36/376123236.db2.gz JUPUBWMCPPTIRM-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000337343732 376214345 /nfs/dbraw/zinc/21/43/45/376214345.db2.gz SOUWXWUBJKQVMH-MRXNPFEDSA-N 2 1 292.467 3.430 20 0 CGADMP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000222067490 376228032 /nfs/dbraw/zinc/22/80/32/376228032.db2.gz LNVYXWBKTQJOSP-QGZVFWFLSA-N 2 1 290.451 3.227 20 0 CGADMP CCc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000132348964 542076162 /nfs/dbraw/zinc/07/61/62/542076162.db2.gz FVSPVANBTWKBNW-HDMKZQKVSA-N 2 1 274.452 3.110 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223930041 376268315 /nfs/dbraw/zinc/26/83/15/376268315.db2.gz LDQAOGASGCEPME-BZSNNMDCSA-N 2 1 270.420 3.280 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000223930041 376268321 /nfs/dbraw/zinc/26/83/21/376268321.db2.gz LDQAOGASGCEPME-BZSNNMDCSA-N 2 1 270.420 3.280 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000224117569 376272378 /nfs/dbraw/zinc/27/23/78/376272378.db2.gz CQFROLIRZRFFTA-RWMBFGLXSA-N 2 1 266.454 3.444 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000224117569 376272388 /nfs/dbraw/zinc/27/23/88/376272388.db2.gz CQFROLIRZRFFTA-RWMBFGLXSA-N 2 1 266.454 3.444 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCC(F)(F)C1 ZINC000338302200 376324240 /nfs/dbraw/zinc/32/42/40/376324240.db2.gz BPLKMDFCLUYATA-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CCCC(F)(F)C1 ZINC000338302200 376324246 /nfs/dbraw/zinc/32/42/46/376324246.db2.gz BPLKMDFCLUYATA-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCC(F)(F)C1 ZINC000338302200 376324250 /nfs/dbraw/zinc/32/42/50/376324250.db2.gz BPLKMDFCLUYATA-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000338306629 376327228 /nfs/dbraw/zinc/32/72/28/376327228.db2.gz NNMNGIXHYIHSHO-GJZGRUSLSA-N 2 1 297.393 3.481 20 0 CGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000338306629 376327231 /nfs/dbraw/zinc/32/72/31/376327231.db2.gz NNMNGIXHYIHSHO-GJZGRUSLSA-N 2 1 297.393 3.481 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000539077054 376291812 /nfs/dbraw/zinc/29/18/12/376291812.db2.gz OSTNZBWOJNVIRM-WQGACYEGSA-N 2 1 298.833 3.340 20 0 CGADMP CO[C@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000338545829 376420212 /nfs/dbraw/zinc/42/02/12/376420212.db2.gz HYVDWRHDAYABQZ-ZWKOTPCHSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000338545829 376420218 /nfs/dbraw/zinc/42/02/18/376420218.db2.gz HYVDWRHDAYABQZ-ZWKOTPCHSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000338545829 376420223 /nfs/dbraw/zinc/42/02/23/376420223.db2.gz HYVDWRHDAYABQZ-ZWKOTPCHSA-N 2 1 290.451 3.180 20 0 CGADMP CO[C@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000338545829 376420227 /nfs/dbraw/zinc/42/02/27/376420227.db2.gz HYVDWRHDAYABQZ-ZWKOTPCHSA-N 2 1 290.451 3.180 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000230005867 376479466 /nfs/dbraw/zinc/47/94/66/376479466.db2.gz ZDGPVPHERCWSIO-UHFFFAOYSA-N 2 1 290.357 3.316 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000230005867 376479470 /nfs/dbraw/zinc/47/94/70/376479470.db2.gz ZDGPVPHERCWSIO-UHFFFAOYSA-N 2 1 290.357 3.316 20 0 CGADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000338677112 376474661 /nfs/dbraw/zinc/47/46/61/376474661.db2.gz YZGRNGFCNCULQD-CQSZACIVSA-N 2 1 299.393 3.296 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000542144167 376512252 /nfs/dbraw/zinc/51/22/52/376512252.db2.gz YQJPCKIHXLSNBZ-JKSUJKDBSA-N 2 1 252.446 3.443 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000541909006 376496064 /nfs/dbraw/zinc/49/60/64/376496064.db2.gz JONDVIGELCGHBB-WMZOPIPTSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000045690970 572357681 /nfs/dbraw/zinc/35/76/81/572357681.db2.gz CYEYVNUBKILGCB-LSDHHAIUSA-N 2 1 278.440 3.033 20 0 CGADMP C[N@@H+](CCC1CC1)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000338938786 376586647 /nfs/dbraw/zinc/58/66/47/376586647.db2.gz LXRINCSALCJRBB-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CCC1CC1)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000338938786 376586654 /nfs/dbraw/zinc/58/66/54/376586654.db2.gz LXRINCSALCJRBB-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CCC1CC1)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000338938786 376586657 /nfs/dbraw/zinc/58/66/57/376586657.db2.gz LXRINCSALCJRBB-KRWDZBQOSA-N 2 1 264.457 3.373 20 0 CGADMP COC1(CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000339085118 376670159 /nfs/dbraw/zinc/67/01/59/376670159.db2.gz PBYXMZDRWHOLEY-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000235977439 376654976 /nfs/dbraw/zinc/65/49/76/376654976.db2.gz KHOLEXJBFRZWBU-HUUCEWRRSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000235977439 376654981 /nfs/dbraw/zinc/65/49/81/376654981.db2.gz KHOLEXJBFRZWBU-HUUCEWRRSA-N 2 1 278.827 3.365 20 0 CGADMP c1ccc(SCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069864 376661036 /nfs/dbraw/zinc/66/10/36/376661036.db2.gz YAXQOGONAVRDMZ-HZPDHXFCSA-N 2 1 290.476 3.385 20 0 CGADMP CCC(C)(C)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000544124040 376707324 /nfs/dbraw/zinc/70/73/24/376707324.db2.gz TWQANUFJQSZUEZ-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CCC(C)(C)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000544124040 376707330 /nfs/dbraw/zinc/70/73/30/376707330.db2.gz TWQANUFJQSZUEZ-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433135 376756151 /nfs/dbraw/zinc/75/61/51/376756151.db2.gz JUJLWKUATIUMDC-HZPDHXFCSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433135 376756159 /nfs/dbraw/zinc/75/61/59/376756159.db2.gz JUJLWKUATIUMDC-HZPDHXFCSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433135 376756171 /nfs/dbraw/zinc/75/61/71/376756171.db2.gz JUJLWKUATIUMDC-HZPDHXFCSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000544894818 376769853 /nfs/dbraw/zinc/76/98/53/376769853.db2.gz WUKUKFMKLWNYFH-BSDSXHPESA-N 2 1 296.499 3.386 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000339680779 376806010 /nfs/dbraw/zinc/80/60/10/376806010.db2.gz JHVVSBNZRQNEPL-CYBMUJFWSA-N 2 1 266.454 3.401 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)CCc2ccccc2)C1 ZINC000245433061 376814969 /nfs/dbraw/zinc/81/49/69/376814969.db2.gz BPGYMCLWCKIAMF-SJLPKXTDSA-N 2 1 274.452 3.281 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC000245893260 376926784 /nfs/dbraw/zinc/92/67/84/376926784.db2.gz CNIZEQDVQGCQMD-WMLDXEAASA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC000245893260 376926790 /nfs/dbraw/zinc/92/67/90/376926790.db2.gz CNIZEQDVQGCQMD-WMLDXEAASA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC000245893260 376926796 /nfs/dbraw/zinc/92/67/96/376926796.db2.gz CNIZEQDVQGCQMD-WMLDXEAASA-N 2 1 278.415 3.296 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)C1 ZINC000245935650 376938263 /nfs/dbraw/zinc/93/82/63/376938263.db2.gz TXPILVMUFXIMHP-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246306449 377008391 /nfs/dbraw/zinc/00/83/91/377008391.db2.gz DLVIPVJULYSJBT-HOTGVXAUSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)C[C@@H]1c1ccccc1 ZINC000340446214 377062229 /nfs/dbraw/zinc/06/22/29/377062229.db2.gz YSVPUPHPRUPKPV-BGTYHANMSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246731976 377078516 /nfs/dbraw/zinc/07/85/16/377078516.db2.gz MEFGOJRIDPMJFZ-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246731976 377078521 /nfs/dbraw/zinc/07/85/21/377078521.db2.gz MEFGOJRIDPMJFZ-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246731976 377078528 /nfs/dbraw/zinc/07/85/28/377078528.db2.gz MEFGOJRIDPMJFZ-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246731976 377078534 /nfs/dbraw/zinc/07/85/34/377078534.db2.gz MEFGOJRIDPMJFZ-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246724670 377078569 /nfs/dbraw/zinc/07/85/69/377078569.db2.gz DHMSSDOHHCSLBQ-CVEARBPZSA-N 2 1 260.425 3.064 20 0 CGADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000246724670 377078575 /nfs/dbraw/zinc/07/85/75/377078575.db2.gz DHMSSDOHHCSLBQ-CVEARBPZSA-N 2 1 260.425 3.064 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246939866 377124020 /nfs/dbraw/zinc/12/40/20/377124020.db2.gz HPEVQKMFMMOKSM-WMLDXEAASA-N 2 1 290.426 3.177 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000246772585 377084753 /nfs/dbraw/zinc/08/47/53/377084753.db2.gz BMWUOVMHMPWAEV-TWMKSMIVSA-N 2 1 296.499 3.146 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@]1(C)CCCO1 ZINC000340474496 377085276 /nfs/dbraw/zinc/08/52/76/377085276.db2.gz SLJWDUFPVUCIPM-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000246819981 377096582 /nfs/dbraw/zinc/09/65/82/377096582.db2.gz BCTVFHQATLAVTD-PKOBYXMFSA-N 2 1 286.463 3.248 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000247019426 377140371 /nfs/dbraw/zinc/14/03/71/377140371.db2.gz MTMKKPAJVSBCBM-AAEUAGOBSA-N 2 1 286.872 3.264 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000247093662 377157216 /nfs/dbraw/zinc/15/72/16/377157216.db2.gz OFPVVFGNZOANTP-CYGHRXIMSA-N 2 1 296.499 3.290 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCSc2ccccc2)[C@H]2CCC[C@H]21 ZINC000560521385 377163627 /nfs/dbraw/zinc/16/36/27/377163627.db2.gz KPGFFNAHAHQIMS-IXDOHACOSA-N 2 1 290.476 3.241 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000247208525 377176590 /nfs/dbraw/zinc/17/65/90/377176590.db2.gz VOKWHUBYCHUZIT-MELADBBJSA-N 2 1 264.413 3.365 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000560594369 377177211 /nfs/dbraw/zinc/17/72/11/377177211.db2.gz HGDUOYAHHJKCQC-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000560594369 377177215 /nfs/dbraw/zinc/17/72/15/377177215.db2.gz HGDUOYAHHJKCQC-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000560594369 377177221 /nfs/dbraw/zinc/17/72/21/377177221.db2.gz HGDUOYAHHJKCQC-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000247253813 377185429 /nfs/dbraw/zinc/18/54/29/377185429.db2.gz YNINTOZDQVTZKB-XUWVNRHRSA-N 2 1 282.472 3.043 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000247253813 377185433 /nfs/dbraw/zinc/18/54/33/377185433.db2.gz YNINTOZDQVTZKB-XUWVNRHRSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247966779 377248978 /nfs/dbraw/zinc/24/89/78/377248978.db2.gz GXEZYYJHLBLWGM-KEYYUXOJSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247966779 377248984 /nfs/dbraw/zinc/24/89/84/377248984.db2.gz GXEZYYJHLBLWGM-KEYYUXOJSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247966779 377248993 /nfs/dbraw/zinc/24/89/93/377248993.db2.gz GXEZYYJHLBLWGM-KEYYUXOJSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247966779 377249002 /nfs/dbraw/zinc/24/90/02/377249002.db2.gz GXEZYYJHLBLWGM-KEYYUXOJSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247983900 377252600 /nfs/dbraw/zinc/25/26/00/377252600.db2.gz IQQKWOYMQXWLAJ-UKPHBRMFSA-N 2 1 276.399 3.303 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000248043605 377260797 /nfs/dbraw/zinc/26/07/97/377260797.db2.gz UKCAZMIVZRROSJ-FJIDUMEYSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1Cl ZINC000248500049 377333325 /nfs/dbraw/zinc/33/33/25/377333325.db2.gz NBJCCTJYEZQSIM-DVOMOZLQSA-N 2 1 280.843 3.467 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000248140176 377272941 /nfs/dbraw/zinc/27/29/41/377272941.db2.gz PNQCOINVQSHCMY-ZVZYQTTQSA-N 2 1 272.436 3.036 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000563135944 377406625 /nfs/dbraw/zinc/40/66/25/377406625.db2.gz WACYLNGQJVOUTA-SFYZADRCSA-N 2 1 279.186 3.348 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000563443543 377468347 /nfs/dbraw/zinc/46/83/47/377468347.db2.gz URRJPVVGXBKFDO-CVEARBPZSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC12CC2 ZINC000563444011 377468423 /nfs/dbraw/zinc/46/84/23/377468423.db2.gz XVIWVWMTWSJRGK-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249174355 377474538 /nfs/dbraw/zinc/47/45/38/377474538.db2.gz DIVUBBBUVYWHOA-NEWSRXKRSA-N 2 1 286.463 3.428 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000249317380 377491094 /nfs/dbraw/zinc/49/10/94/377491094.db2.gz PULRJTUVQQYZBA-QWQRMKEZSA-N 2 1 299.418 3.256 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cccs1 ZINC000166706179 542175626 /nfs/dbraw/zinc/17/56/26/542175626.db2.gz AEQWBBHDBYSHFD-SOUVJXGZSA-N 2 1 278.465 3.143 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2ccccc2c1 ZINC000274957484 249066283 /nfs/dbraw/zinc/06/62/83/249066283.db2.gz PBQDDLSHRMMHDP-AWEZNQCLSA-N 2 1 279.387 3.467 20 0 CGADMP Fc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166665833 542174628 /nfs/dbraw/zinc/17/46/28/542174628.db2.gz NCWYLZYAPIZDPL-IAGOWNOFSA-N 2 1 288.410 3.074 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000312780709 249083007 /nfs/dbraw/zinc/08/30/07/249083007.db2.gz HROKZEAJSMIZHL-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H](CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000312780711 249083014 /nfs/dbraw/zinc/08/30/14/249083014.db2.gz HROKZEAJSMIZHL-RYQLBKOJSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000341393094 377544790 /nfs/dbraw/zinc/54/47/90/377544790.db2.gz ZJLBOWWRWBNVMR-UHFFFAOYSA-N 2 1 289.345 3.150 20 0 CGADMP Cc1cccc(C[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C2CC2)c1 ZINC000481296876 249170275 /nfs/dbraw/zinc/17/02/75/249170275.db2.gz UXJFXZJOLTUGID-MOPGFXCFSA-N 2 1 286.463 3.246 20 0 CGADMP Cc1cccc(CCC[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000515068990 249200228 /nfs/dbraw/zinc/20/02/28/249200228.db2.gz FVCLWXHRVWJNEJ-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1cccc(CCC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000515068990 249200231 /nfs/dbraw/zinc/20/02/31/249200231.db2.gz FVCLWXHRVWJNEJ-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1cccc(CCC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000515068990 249200234 /nfs/dbraw/zinc/20/02/34/249200234.db2.gz FVCLWXHRVWJNEJ-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1cccc(CCC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000515068990 249200235 /nfs/dbraw/zinc/20/02/35/249200235.db2.gz FVCLWXHRVWJNEJ-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1cccc(CCC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000515068990 249200238 /nfs/dbraw/zinc/20/02/38/249200238.db2.gz FVCLWXHRVWJNEJ-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@H](CC[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000251239495 377578603 /nfs/dbraw/zinc/57/86/03/377578603.db2.gz RXRLIYTVQZFIMY-WBVHZDCISA-N 2 1 260.425 3.384 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000251307895 377580315 /nfs/dbraw/zinc/58/03/15/377580315.db2.gz JMRREZWSVLPALW-OWCLPIDISA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000251575848 377588175 /nfs/dbraw/zinc/58/81/75/377588175.db2.gz BVICGQPSJPJQDX-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251706495 377596380 /nfs/dbraw/zinc/59/63/80/377596380.db2.gz JEEXAWGKNBSYKS-GYSYKLTISA-N 2 1 284.350 3.018 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C(C)C)CCS2 ZINC000574069903 377613381 /nfs/dbraw/zinc/61/33/81/377613381.db2.gz BIOPXMAEZVXJDF-HNNXBMFYSA-N 2 1 294.464 3.210 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC(C)(C)c2ccccc2)CC[N@@H+]1C ZINC000180423387 542210291 /nfs/dbraw/zinc/21/02/91/542210291.db2.gz RCEPGXUKMWPSNO-DOTOQJQBSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000180423387 542210294 /nfs/dbraw/zinc/21/02/94/542210294.db2.gz RCEPGXUKMWPSNO-DOTOQJQBSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CC(C)(C)c2ccccc2)CC[NH+]1C ZINC000180423387 542210299 /nfs/dbraw/zinc/21/02/99/542210299.db2.gz RCEPGXUKMWPSNO-DOTOQJQBSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CC(C)(C)c2ccccc2)CC[NH+]1C ZINC000180423387 542210302 /nfs/dbraw/zinc/21/03/02/542210302.db2.gz RCEPGXUKMWPSNO-DOTOQJQBSA-N 2 1 274.452 3.379 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252214724 377618850 /nfs/dbraw/zinc/61/88/50/377618850.db2.gz YXSTYKIGYBFNHX-IOASZLSFSA-N 2 1 280.843 3.343 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252214724 377618858 /nfs/dbraw/zinc/61/88/58/377618858.db2.gz YXSTYKIGYBFNHX-IOASZLSFSA-N 2 1 280.843 3.343 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252513573 377636294 /nfs/dbraw/zinc/63/62/94/377636294.db2.gz YSOXSKPVBMOHDK-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000252666895 377647310 /nfs/dbraw/zinc/64/73/10/377647310.db2.gz CJDPGCXGUZLCIP-STQMWFEESA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000252666895 377647319 /nfs/dbraw/zinc/64/73/19/377647319.db2.gz CJDPGCXGUZLCIP-STQMWFEESA-N 2 1 282.790 3.196 20 0 CGADMP CCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674877 377649914 /nfs/dbraw/zinc/64/99/14/377649914.db2.gz VBGCCAHCHWXAMS-SJORKVTESA-N 2 1 288.435 3.192 20 0 CGADMP CCCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674877 377649919 /nfs/dbraw/zinc/64/99/19/377649919.db2.gz VBGCCAHCHWXAMS-SJORKVTESA-N 2 1 288.435 3.192 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252675304 377650386 /nfs/dbraw/zinc/65/03/86/377650386.db2.gz ZMHZIJXQROOESX-KBPBESRZSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252675304 377650396 /nfs/dbraw/zinc/65/03/96/377650396.db2.gz ZMHZIJXQROOESX-KBPBESRZSA-N 2 1 296.361 3.004 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698404 377651966 /nfs/dbraw/zinc/65/19/66/377651966.db2.gz MWXJWOKGMVFBMO-GMTAPVOTSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698404 377651971 /nfs/dbraw/zinc/65/19/71/377651971.db2.gz MWXJWOKGMVFBMO-GMTAPVOTSA-N 2 1 270.779 3.209 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000252716226 377654500 /nfs/dbraw/zinc/65/45/00/377654500.db2.gz XYQDMUVCWYDRLA-YUELXQCFSA-N 2 1 276.449 3.153 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000252716226 377654509 /nfs/dbraw/zinc/65/45/09/377654509.db2.gz XYQDMUVCWYDRLA-YUELXQCFSA-N 2 1 276.449 3.153 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252870852 377667465 /nfs/dbraw/zinc/66/74/65/377667465.db2.gz SPBICJDPSXDMIG-JQFCIGGWSA-N 2 1 284.403 3.300 20 0 CGADMP Fc1cc(Cl)cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000253157573 377680155 /nfs/dbraw/zinc/68/01/55/377680155.db2.gz QCXWSTHHNPPGKM-CABCVRRESA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000253157573 377680162 /nfs/dbraw/zinc/68/01/62/377680162.db2.gz QCXWSTHHNPPGKM-CABCVRRESA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000253157573 377680168 /nfs/dbraw/zinc/68/01/68/377680168.db2.gz QCXWSTHHNPPGKM-CABCVRRESA-N 2 1 282.790 3.196 20 0 CGADMP CCC1CC([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000342709646 377748985 /nfs/dbraw/zinc/74/89/85/377748985.db2.gz MZACLPRXLNLSIE-UHFFFAOYSA-N 2 1 273.424 3.137 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C\c1ccccc1 ZINC000255501637 377761599 /nfs/dbraw/zinc/76/15/99/377761599.db2.gz PQISBAGKOYSNPL-UVFSVYEVSA-N 2 1 270.420 3.258 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000255515567 377762928 /nfs/dbraw/zinc/76/29/28/377762928.db2.gz WMLUSDHTHBBVFI-SSZFMOIBSA-N 2 1 272.436 3.364 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC(C)(C)c1ccccc1 ZINC000181759786 542221560 /nfs/dbraw/zinc/22/15/60/542221560.db2.gz CUMQBTVGEBNBDY-HNNXBMFYSA-N 2 1 285.435 3.395 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261569868 377818696 /nfs/dbraw/zinc/81/86/96/377818696.db2.gz NRLDGTMBZTZWRC-DZKIICNBSA-N 2 1 278.827 3.208 20 0 CGADMP CC(C)[N@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261566521 377818985 /nfs/dbraw/zinc/81/89/85/377818985.db2.gz IFYBALCIDSTIBC-KGLIPLIRSA-N 2 1 266.454 3.347 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000342859363 377840768 /nfs/dbraw/zinc/84/07/68/377840768.db2.gz JFOFRAMXDOZUAM-AWEZNQCLSA-N 2 1 269.392 3.028 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000342859363 377840772 /nfs/dbraw/zinc/84/07/72/377840772.db2.gz JFOFRAMXDOZUAM-AWEZNQCLSA-N 2 1 269.392 3.028 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000261607293 377827130 /nfs/dbraw/zinc/82/71/30/377827130.db2.gz RQXALFPAIWXFSF-CHWSQXEVSA-N 2 1 278.465 3.087 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000261607293 377827136 /nfs/dbraw/zinc/82/71/36/377827136.db2.gz RQXALFPAIWXFSF-CHWSQXEVSA-N 2 1 278.465 3.087 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc4ccccc34)C[C@H]12 ZINC000261631277 377828381 /nfs/dbraw/zinc/82/83/81/377828381.db2.gz WAKUGTJNCITBMJ-BYCMXARLSA-N 2 1 272.417 3.070 20 0 CGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261686213 377838337 /nfs/dbraw/zinc/83/83/37/377838337.db2.gz ARFNXLKBWQONLF-DLBZAZTESA-N 2 1 278.415 3.454 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000261879770 377862931 /nfs/dbraw/zinc/86/29/31/377862931.db2.gz UNQRYKJPVUXKHK-GOSISDBHSA-N 2 1 288.435 3.179 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000261879770 377862936 /nfs/dbraw/zinc/86/29/36/377862936.db2.gz UNQRYKJPVUXKHK-GOSISDBHSA-N 2 1 288.435 3.179 20 0 CGADMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000261888360 377862974 /nfs/dbraw/zinc/86/29/74/377862974.db2.gz SJEIEDVSYRVXPX-CZUORRHYSA-N 2 1 264.388 3.208 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@]2(C)CC[NH2+]C2)s1 ZINC000261906039 377865543 /nfs/dbraw/zinc/86/55/43/377865543.db2.gz WYHRNPKALHDMBC-DOMZBBRYSA-N 2 1 281.469 3.006 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)s1 ZINC000261906039 377865546 /nfs/dbraw/zinc/86/55/46/377865546.db2.gz WYHRNPKALHDMBC-DOMZBBRYSA-N 2 1 281.469 3.006 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)C[C@]1(C)CC[NH2+]C1 ZINC000261968562 377874081 /nfs/dbraw/zinc/87/40/81/377874081.db2.gz HYSOBPJRESNPAX-GOSISDBHSA-N 2 1 268.404 3.271 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000342863292 377843725 /nfs/dbraw/zinc/84/37/25/377843725.db2.gz HKLRDWLWVRVOSJ-GOSISDBHSA-N 2 1 283.419 3.423 20 0 CGADMP CCN(CCCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000342863950 377846973 /nfs/dbraw/zinc/84/69/73/377846973.db2.gz KZAQJVGEYPCOQA-UHFFFAOYSA-N 2 1 257.381 3.417 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261734693 377847801 /nfs/dbraw/zinc/84/78/01/377847801.db2.gz LODHVWAUZWDSDP-BHYGNILZSA-N 2 1 272.436 3.153 20 0 CGADMP C[C@]1(C[N@H+]2CCCC[C@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261751357 377849908 /nfs/dbraw/zinc/84/99/08/377849908.db2.gz JWEGKZWNGNXXPO-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261772147 377852176 /nfs/dbraw/zinc/85/21/76/377852176.db2.gz DSXOHPVGSFHHRW-KGLIPLIRSA-N 2 1 280.843 3.375 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261772147 377852182 /nfs/dbraw/zinc/85/21/82/377852182.db2.gz DSXOHPVGSFHHRW-KGLIPLIRSA-N 2 1 280.843 3.375 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]C1 ZINC000261778768 377853491 /nfs/dbraw/zinc/85/34/91/377853491.db2.gz NQUASGYBEOSAPG-JKSUJKDBSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]C1 ZINC000261778768 377853497 /nfs/dbraw/zinc/85/34/97/377853497.db2.gz NQUASGYBEOSAPG-JKSUJKDBSA-N 2 1 278.827 3.477 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000261815095 377856779 /nfs/dbraw/zinc/85/67/79/377856779.db2.gz HYIKDULBAYYIHE-CQSZACIVSA-N 2 1 289.448 3.036 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000261815095 377856786 /nfs/dbraw/zinc/85/67/86/377856786.db2.gz HYIKDULBAYYIHE-CQSZACIVSA-N 2 1 289.448 3.036 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261809371 377857182 /nfs/dbraw/zinc/85/71/82/377857182.db2.gz HOCFOQXDVZZOPK-YPMHNXCESA-N 2 1 266.816 3.072 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261827377 377859310 /nfs/dbraw/zinc/85/93/10/377859310.db2.gz ITSCGKQZLWWIRK-VXGBXAGGSA-N 2 1 266.816 3.072 20 0 CGADMP c1ccc2cc(CC[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000575749410 377987712 /nfs/dbraw/zinc/98/77/12/377987712.db2.gz ROSDOHKYNACFII-FQEVSTJZSA-N 2 1 294.442 3.458 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccn2)cc1 ZINC000578082873 378036063 /nfs/dbraw/zinc/03/60/63/378036063.db2.gz BPYQTQQZKWOIFO-LNLFQRSKSA-N 2 1 295.430 3.339 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1coc2ccccc12 ZINC000343610745 378039186 /nfs/dbraw/zinc/03/91/86/378039186.db2.gz ZGGXZGIMOURPIJ-UHFFFAOYSA-N 2 1 272.392 3.351 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1coc2ccccc12 ZINC000343610745 378039195 /nfs/dbraw/zinc/03/91/95/378039195.db2.gz ZGGXZGIMOURPIJ-UHFFFAOYSA-N 2 1 272.392 3.351 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000268800480 378114120 /nfs/dbraw/zinc/11/41/20/378114120.db2.gz JFOHCKMKDZNWDC-AWEZNQCLSA-N 2 1 257.381 3.159 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CC1 ZINC000578951192 378116295 /nfs/dbraw/zinc/11/62/95/378116295.db2.gz ROLXKDAZGCQOMI-QGZVFWFLSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)CC1 ZINC000578951192 378116301 /nfs/dbraw/zinc/11/63/01/378116301.db2.gz ROLXKDAZGCQOMI-QGZVFWFLSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)CC1 ZINC000578951192 378116304 /nfs/dbraw/zinc/11/63/04/378116304.db2.gz ROLXKDAZGCQOMI-QGZVFWFLSA-N 2 1 272.436 3.240 20 0 CGADMP COCC[N@H+](C)CC[C@@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000579185512 378138174 /nfs/dbraw/zinc/13/81/74/378138174.db2.gz YQMOMJULAPDQCC-QGZVFWFLSA-N 2 1 290.451 3.086 20 0 CGADMP COCC[N@@H+](C)CC[C@@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000579185512 378138182 /nfs/dbraw/zinc/13/81/82/378138182.db2.gz YQMOMJULAPDQCC-QGZVFWFLSA-N 2 1 290.451 3.086 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000268780568 378109772 /nfs/dbraw/zinc/10/97/72/378109772.db2.gz BYUWJAARIJUXDE-INIZCTEOSA-N 2 1 285.391 3.003 20 0 CGADMP CCc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000579807203 378197638 /nfs/dbraw/zinc/19/76/38/378197638.db2.gz OBMCEJQBOHLGSJ-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000345156857 378208455 /nfs/dbraw/zinc/20/84/55/378208455.db2.gz CLCMDADENLWLJL-UHFFFAOYSA-N 2 1 299.443 3.162 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000345156857 378208460 /nfs/dbraw/zinc/20/84/60/378208460.db2.gz CLCMDADENLWLJL-UHFFFAOYSA-N 2 1 299.443 3.162 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)OC ZINC000579574481 378172683 /nfs/dbraw/zinc/17/26/83/378172683.db2.gz HXHFMFCCYZNKDK-MLHJIOFPSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1 ZINC000269065836 378183254 /nfs/dbraw/zinc/18/32/54/378183254.db2.gz YXLNJDRYJIEANZ-ZDUSSCGKSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000583733624 378341688 /nfs/dbraw/zinc/34/16/88/378341688.db2.gz OHCGQILFIAUQCS-AWEZNQCLSA-N 2 1 264.413 3.065 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000583733624 378341691 /nfs/dbraw/zinc/34/16/91/378341691.db2.gz OHCGQILFIAUQCS-AWEZNQCLSA-N 2 1 264.413 3.065 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cc(-c2ccccc2)cs1 ZINC000583934442 378359595 /nfs/dbraw/zinc/35/95/95/378359595.db2.gz GKCHDXXHHVHJMY-UHFFFAOYSA-N 2 1 260.406 3.196 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000271031246 378434469 /nfs/dbraw/zinc/43/44/69/378434469.db2.gz HHDKLFXDXIYKTG-UHFFFAOYSA-N 2 1 285.435 3.473 20 0 CGADMP Cc1cccc(C[N@@H+](C)Cc2cc(-n3ccnc3)cs2)n1 ZINC000346164274 378486496 /nfs/dbraw/zinc/48/64/96/378486496.db2.gz HWXHQVQHSQBYBR-UHFFFAOYSA-N 2 1 298.415 3.269 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCCC[C@H]1C ZINC000346172354 378489501 /nfs/dbraw/zinc/48/95/01/378489501.db2.gz OSENWFKPVLLAFI-CQSZACIVSA-N 2 1 284.407 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1F)CC(C)C ZINC000346307982 378538898 /nfs/dbraw/zinc/53/88/98/378538898.db2.gz KIUWRTMKVUJRLU-UHFFFAOYSA-N 2 1 289.398 3.489 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1F)CC(C)C ZINC000346307982 378538900 /nfs/dbraw/zinc/53/89/00/378538900.db2.gz KIUWRTMKVUJRLU-UHFFFAOYSA-N 2 1 289.398 3.489 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000272383158 378625774 /nfs/dbraw/zinc/62/57/74/378625774.db2.gz HYPAUOQVUWSANG-SUMWQHHRSA-N 2 1 269.392 3.023 20 0 CGADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc1SC ZINC000346650445 378660931 /nfs/dbraw/zinc/66/09/31/378660931.db2.gz CHOZQMAEXDBIHF-AWEZNQCLSA-N 2 1 296.480 3.222 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000346658321 378664340 /nfs/dbraw/zinc/66/43/40/378664340.db2.gz UJGXJSXYLWPHRV-CZUORRHYSA-N 2 1 299.393 3.057 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2ccccc2C)C1 ZINC000273003608 378732115 /nfs/dbraw/zinc/73/21/15/378732115.db2.gz ZUXRSZSTBHFHRE-UHFFFAOYSA-N 2 1 283.419 3.426 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000348054198 378770047 /nfs/dbraw/zinc/77/00/47/378770047.db2.gz WOEVSPPBZBJLIS-HUUCEWRRSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000348054198 378770050 /nfs/dbraw/zinc/77/00/50/378770050.db2.gz WOEVSPPBZBJLIS-HUUCEWRRSA-N 2 1 252.446 3.371 20 0 CGADMP CCOC1CC(C[NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000638362217 378779353 /nfs/dbraw/zinc/77/93/53/378779353.db2.gz XFDIKEUGYKZLSP-DAWZGUTISA-N 2 1 296.499 3.148 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)sn1 ZINC000638367364 378780806 /nfs/dbraw/zinc/78/08/06/378780806.db2.gz UOZNTSOHQMHFIW-CQSZACIVSA-N 2 1 281.469 3.196 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638380649 378786406 /nfs/dbraw/zinc/78/64/06/378786406.db2.gz DJFNNHYWRDXXQH-CQSZACIVSA-N 2 1 262.441 3.341 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000348113121 378797395 /nfs/dbraw/zinc/79/73/95/378797395.db2.gz FBGQMGAZUDYVOX-ZBFHGGJFSA-N 2 1 273.424 3.137 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158040 378817655 /nfs/dbraw/zinc/81/76/55/378817655.db2.gz HAZIMZBZXKNERC-AEFFLSMTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158040 378817663 /nfs/dbraw/zinc/81/76/63/378817663.db2.gz HAZIMZBZXKNERC-AEFFLSMTSA-N 2 1 288.435 3.014 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158040 378817669 /nfs/dbraw/zinc/81/76/69/378817669.db2.gz HAZIMZBZXKNERC-AEFFLSMTSA-N 2 1 288.435 3.014 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)s1 ZINC000346827139 218026679 /nfs/dbraw/zinc/02/66/79/218026679.db2.gz FXNJHBPEKBZKAD-KBPBESRZSA-N 2 1 264.438 3.193 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346846228 218034890 /nfs/dbraw/zinc/03/48/90/218034890.db2.gz NNTTZVPXNQJEDD-RDJZCZTQSA-N 2 1 258.409 3.132 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000274824343 378903615 /nfs/dbraw/zinc/90/36/15/378903615.db2.gz HOYLCOLXKJTORC-OAHLLOKOSA-N 2 1 271.408 3.050 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274943856 378921559 /nfs/dbraw/zinc/92/15/59/378921559.db2.gz UASOQSWFZDQTAK-NEPJUHHUSA-N 2 1 292.814 3.227 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347031225 218098418 /nfs/dbraw/zinc/09/84/18/218098418.db2.gz YOJUIEAGNCCFPC-QGZVFWFLSA-N 2 1 295.430 3.180 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347089713 218117107 /nfs/dbraw/zinc/11/71/07/218117107.db2.gz FMVNLSIGTCRORB-LLVKDONJSA-N 2 1 293.461 3.042 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347089713 218117110 /nfs/dbraw/zinc/11/71/10/218117110.db2.gz FMVNLSIGTCRORB-LLVKDONJSA-N 2 1 293.461 3.042 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000278584398 194055198 /nfs/dbraw/zinc/05/51/98/194055198.db2.gz QEUIAFDRUDMISM-UKRRQHHQSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000278584398 194055200 /nfs/dbraw/zinc/05/52/00/194055200.db2.gz QEUIAFDRUDMISM-UKRRQHHQSA-N 2 1 296.480 3.208 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347183464 218147935 /nfs/dbraw/zinc/14/79/35/218147935.db2.gz XEHOKZHKPNTALY-BISSQIIJSA-N 2 1 292.373 3.193 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347183464 218147936 /nfs/dbraw/zinc/14/79/36/218147936.db2.gz XEHOKZHKPNTALY-BISSQIIJSA-N 2 1 292.373 3.193 20 0 CGADMP Cc1cc(C)c(/C=C/CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1C ZINC000639113211 379036638 /nfs/dbraw/zinc/03/66/38/379036638.db2.gz KYYNLNOPNMBGQJ-QCUQMOABSA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000639113211 379036648 /nfs/dbraw/zinc/03/66/48/379036648.db2.gz KYYNLNOPNMBGQJ-QCUQMOABSA-N 2 1 284.447 3.118 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000639113211 379036652 /nfs/dbraw/zinc/03/66/52/379036652.db2.gz KYYNLNOPNMBGQJ-QCUQMOABSA-N 2 1 284.447 3.118 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277065582 379057561 /nfs/dbraw/zinc/05/75/61/379057561.db2.gz DJEDKLWSPGNQCS-QGZVFWFLSA-N 2 1 260.425 3.165 20 0 CGADMP Cc1[nH+]ccn1CC1CCC(Cn2cc[nH+]c2C)CC1 ZINC000278683151 194101613 /nfs/dbraw/zinc/10/16/13/194101613.db2.gz HXFRCHCUNRNQAB-UHFFFAOYSA-N 2 1 272.396 3.203 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000277240480 379108194 /nfs/dbraw/zinc/10/81/94/379108194.db2.gz ZSKJMIOXEVZSRN-HIFRSBDPSA-N 2 1 294.389 3.427 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000277240480 379108200 /nfs/dbraw/zinc/10/82/00/379108200.db2.gz ZSKJMIOXEVZSRN-HIFRSBDPSA-N 2 1 294.389 3.427 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277303279 379125360 /nfs/dbraw/zinc/12/53/60/379125360.db2.gz UHFPZDIOCSFESL-GOSISDBHSA-N 2 1 274.452 3.344 20 0 CGADMP CCc1ccccc1CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000277561183 379189015 /nfs/dbraw/zinc/18/90/15/379189015.db2.gz AIINAFPWMAISKP-YJBOKZPZSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000277561183 379189023 /nfs/dbraw/zinc/18/90/23/379189023.db2.gz AIINAFPWMAISKP-YJBOKZPZSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000277561183 379189028 /nfs/dbraw/zinc/18/90/28/379189028.db2.gz AIINAFPWMAISKP-YJBOKZPZSA-N 2 1 274.452 3.206 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000277561183 379189035 /nfs/dbraw/zinc/18/90/35/379189035.db2.gz AIINAFPWMAISKP-YJBOKZPZSA-N 2 1 274.452 3.206 20 0 CGADMP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1C ZINC000373471607 379284697 /nfs/dbraw/zinc/28/46/97/379284697.db2.gz WONWBRNHBCQBSJ-UHFFFAOYSA-N 2 1 288.435 3.110 20 0 CGADMP C[NH+](C)CCCC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000347562918 218274147 /nfs/dbraw/zinc/27/41/47/218274147.db2.gz GFXVEHFDVUDQRL-UHFFFAOYSA-N 2 1 291.439 3.106 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000639379571 379339371 /nfs/dbraw/zinc/33/93/71/379339371.db2.gz QNEOZZGNVNHCDF-UHFFFAOYSA-N 2 1 266.454 3.363 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2sccc2C)CC1 ZINC000639379913 379340101 /nfs/dbraw/zinc/34/01/01/379340101.db2.gz TZQNTUUZDGPASK-UHFFFAOYSA-N 2 1 266.454 3.363 20 0 CGADMP C[C@@H](CC[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000278465711 379396761 /nfs/dbraw/zinc/39/67/61/379396761.db2.gz GFXYPUWWVDAXAF-HNNXBMFYSA-N 2 1 258.409 3.032 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000569566684 322250326 /nfs/dbraw/zinc/25/03/26/322250326.db2.gz QJHRLJHEPZXHQP-WMLDXEAASA-N 2 1 260.425 3.083 20 0 CGADMP CSc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639755127 379569411 /nfs/dbraw/zinc/56/94/11/379569411.db2.gz GPSWXOFIPNQPMF-UHFFFAOYSA-N 2 1 290.476 3.326 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755495 379570282 /nfs/dbraw/zinc/57/02/82/379570282.db2.gz MHPGMINROYUXMM-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000639986799 379677001 /nfs/dbraw/zinc/67/70/01/379677001.db2.gz SKERKPYGXHXTDF-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377700607 379726409 /nfs/dbraw/zinc/72/64/09/379726409.db2.gz NRXUOFJQVGBYRW-UHFFFAOYSA-N 2 1 295.430 3.491 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)n1 ZINC000267466655 190332244 /nfs/dbraw/zinc/33/22/44/190332244.db2.gz WMYBNOOPOWYYGT-KRWDZBQOSA-N 2 1 281.403 3.278 20 0 CGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cccnc3C)C2)c1 ZINC000378349616 379808892 /nfs/dbraw/zinc/80/88/92/379808892.db2.gz KSQLFFMYBWDQAG-INIZCTEOSA-N 2 1 296.418 3.027 20 0 CGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cccnc3C)C2)c1 ZINC000378349616 379808899 /nfs/dbraw/zinc/80/88/99/379808899.db2.gz KSQLFFMYBWDQAG-INIZCTEOSA-N 2 1 296.418 3.027 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000267441051 190330902 /nfs/dbraw/zinc/33/09/02/190330902.db2.gz PDVIDDHCDAECRL-MRXNPFEDSA-N 2 1 269.392 3.406 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000352541393 379848063 /nfs/dbraw/zinc/84/80/63/379848063.db2.gz XJFKRWAPRSIMOE-CWDCEQMOSA-N 2 1 262.372 3.042 20 0 CGADMP CC(C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000382037749 379869524 /nfs/dbraw/zinc/86/95/24/379869524.db2.gz HADJYBMLPYQVTL-ROUUACIJSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382037749 379869529 /nfs/dbraw/zinc/86/95/29/379869529.db2.gz HADJYBMLPYQVTL-ROUUACIJSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382037749 379869533 /nfs/dbraw/zinc/86/95/33/379869533.db2.gz HADJYBMLPYQVTL-ROUUACIJSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@H](c1cccnc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530985 379819685 /nfs/dbraw/zinc/81/96/85/379819685.db2.gz KPBCDDPUUDSUJE-MRXNPFEDSA-N 2 1 275.440 3.341 20 0 CGADMP Cc1cnccc1CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534050 379819809 /nfs/dbraw/zinc/81/98/09/379819809.db2.gz JWQHADWNKLQHOK-UHFFFAOYSA-N 2 1 289.467 3.130 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(Cl)cn1 ZINC000640532936 379819973 /nfs/dbraw/zinc/81/99/73/379819973.db2.gz LMYPKDDNYWQGEU-UHFFFAOYSA-N 2 1 295.858 3.433 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2CCCCC2)s1 ZINC000352813033 379977076 /nfs/dbraw/zinc/97/70/76/379977076.db2.gz IPUHFRNIFAIGHO-UHFFFAOYSA-N 2 1 281.469 3.265 20 0 CGADMP CC[C@@H](C)C[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749093 379938635 /nfs/dbraw/zinc/93/86/35/379938635.db2.gz LONSPOFFEQAEIZ-NEPJUHHUSA-N 2 1 269.458 3.119 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352771512 379952183 /nfs/dbraw/zinc/95/21/83/379952183.db2.gz NPHUZINNPCAZBL-JSGCOSHPSA-N 2 1 281.469 3.263 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000401585432 379956352 /nfs/dbraw/zinc/95/63/52/379956352.db2.gz MQONKJZPRVGMET-VQHPVUNQSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352785442 379958600 /nfs/dbraw/zinc/95/86/00/379958600.db2.gz GLWSHNGQNSIISE-CHWSQXEVSA-N 2 1 281.469 3.263 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000401718203 379959373 /nfs/dbraw/zinc/95/93/73/379959373.db2.gz CIDINSAVPGIZFW-GJZGRUSLSA-N 2 1 263.429 3.157 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000410067412 380072785 /nfs/dbraw/zinc/07/27/85/380072785.db2.gz QYUNMVVDLAAVQR-SFHVURJKSA-N 2 1 292.442 3.324 20 0 CGADMP C[N@@H+](CCCCC1CCOCC1)CC[C@H]1CCCC[NH+]1C ZINC000410393083 380093755 /nfs/dbraw/zinc/09/37/55/380093755.db2.gz SORXRYGRALMYED-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2oc(-c3ccccc3)nc2C)CC[C@H]1[NH3+] ZINC000641800388 380111139 /nfs/dbraw/zinc/11/11/39/380111139.db2.gz ZRZVJFLNTXJEST-GOEBONIOSA-N 2 1 299.418 3.209 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000641798525 380111285 /nfs/dbraw/zinc/11/12/85/380111285.db2.gz JLNWUEXXPBELSR-MRXNPFEDSA-N 2 1 299.418 3.353 20 0 CGADMP C[NH+]1CCC([NH2+]CCCCc2ccc(Cl)s2)CC1 ZINC000284014728 380116582 /nfs/dbraw/zinc/11/65/82/380116582.db2.gz QCQZOYYIJCUVLP-UHFFFAOYSA-N 2 1 286.872 3.408 20 0 CGADMP c1ccc(CC2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000414103557 380191900 /nfs/dbraw/zinc/19/19/00/380191900.db2.gz XGKQOCDKOWEBEU-UHFFFAOYSA-N 2 1 284.447 3.368 20 0 CGADMP Cc1ccnc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000285952630 380155194 /nfs/dbraw/zinc/15/51/94/380155194.db2.gz FALOSYKUQHHXNO-HNNXBMFYSA-N 2 1 275.440 3.163 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)s1 ZINC000414483969 380260734 /nfs/dbraw/zinc/26/07/34/380260734.db2.gz NJMYHUKGKZSJNF-DZGCQCFKSA-N 2 1 293.480 3.121 20 0 CGADMP c1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCS2)cc1 ZINC000643057916 380210835 /nfs/dbraw/zinc/21/08/35/380210835.db2.gz ZTTHGZKMSUTIDD-WBVHZDCISA-N 2 1 290.476 3.166 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1C(C)(C)C1(C)C ZINC000353928772 380241227 /nfs/dbraw/zinc/24/12/27/380241227.db2.gz LNCLLZVBZRYTSX-BFHYXJOUSA-N 2 1 264.457 3.274 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000643498993 380320489 /nfs/dbraw/zinc/32/04/89/380320489.db2.gz ITKOIPZODAILPG-CQSZACIVSA-N 2 1 282.815 3.143 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502953 380326445 /nfs/dbraw/zinc/32/64/45/380326445.db2.gz VYHQSRLPNDDNAG-UKRRQHHQSA-N 2 1 272.392 3.096 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000643502415 380326998 /nfs/dbraw/zinc/32/69/98/380326998.db2.gz FQUWQQGYDIVECP-ROUUACIJSA-N 2 1 272.436 3.048 20 0 CGADMP c1ccc(C2CCC([NH2+]CC[NH2+]C3CC3)CC2)cc1 ZINC000643506380 380328173 /nfs/dbraw/zinc/32/81/73/380328173.db2.gz UNGXHPPPXUNWJS-UHFFFAOYSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cscc2Cl)C[C@H]1C[NH3+] ZINC000643427663 380305458 /nfs/dbraw/zinc/30/54/58/380305458.db2.gz SWENSPXZLBLNEC-GMTAPVOTSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cscc2Cl)C[C@H]1C[NH3+] ZINC000643427663 380305464 /nfs/dbraw/zinc/30/54/64/380305464.db2.gz SWENSPXZLBLNEC-GMTAPVOTSA-N 2 1 272.845 3.207 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000643457612 380309738 /nfs/dbraw/zinc/30/97/38/380309738.db2.gz PXKCGISHVGKMDX-ZBFHGGJFSA-N 2 1 290.451 3.093 20 0 CGADMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000643467479 380315212 /nfs/dbraw/zinc/31/52/12/380315212.db2.gz KCYZXAVLFUQCTL-ROUUACIJSA-N 2 1 282.387 3.238 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cn1 ZINC000643548713 380365428 /nfs/dbraw/zinc/36/54/28/380365428.db2.gz UCKUUKXJKKADCO-WCQYABFASA-N 2 1 279.815 3.060 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414673148 380365824 /nfs/dbraw/zinc/36/58/24/380365824.db2.gz BVWSYZYPWRGVKB-QWHCGFSZSA-N 2 1 296.842 3.169 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225696 380369702 /nfs/dbraw/zinc/36/97/02/380369702.db2.gz SXGFCPCRZUXQEI-KBPBESRZSA-N 2 1 287.407 3.132 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414692618 380376946 /nfs/dbraw/zinc/37/69/46/380376946.db2.gz CVBXVPVWLSNYOJ-SOLBZPMBSA-N 2 1 274.452 3.246 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414700799 380379768 /nfs/dbraw/zinc/37/97/68/380379768.db2.gz VNULRKVNJRTUOP-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414700850 380380111 /nfs/dbraw/zinc/38/01/11/380380111.db2.gz GQGVGXUXJQOMHY-OLZOCXBDSA-N 2 1 278.827 3.086 20 0 CGADMP COc1ccc2c(c1)C[N@@H+](CCC[NH3+])[C@@H](c1ccccc1)C2 ZINC000414707357 380381663 /nfs/dbraw/zinc/38/16/63/380381663.db2.gz NRWGJKGBZAHXLX-LJQANCHMSA-N 2 1 296.414 3.143 20 0 CGADMP COc1ccc2c(c1)C[N@H+](CCC[NH3+])[C@@H](c1ccccc1)C2 ZINC000414707357 380381668 /nfs/dbraw/zinc/38/16/68/380381668.db2.gz NRWGJKGBZAHXLX-LJQANCHMSA-N 2 1 296.414 3.143 20 0 CGADMP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414730230 380389671 /nfs/dbraw/zinc/38/96/71/380389671.db2.gz AJOMIGWSEXWBFH-IOASZLSFSA-N 2 1 298.858 3.379 20 0 CGADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414742109 380390759 /nfs/dbraw/zinc/39/07/59/380390759.db2.gz NEYQWHZIIIEETL-KKUMJFAQSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643526100 380340678 /nfs/dbraw/zinc/34/06/78/380340678.db2.gz PDUZYDMVSNLZSF-ZIAGYGMSSA-N 2 1 264.413 3.109 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-c2ccccc2)s1 ZINC000643526619 380342328 /nfs/dbraw/zinc/34/23/28/380342328.db2.gz CMGJOMUOLYPZAU-NWDGAFQWSA-N 2 1 260.406 3.413 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000643546583 380359710 /nfs/dbraw/zinc/35/97/10/380359710.db2.gz RIRUMVXLXOGLBM-WCQYABFASA-N 2 1 280.362 3.290 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)CC[NH2+]1 ZINC000414763498 380395399 /nfs/dbraw/zinc/39/53/99/380395399.db2.gz XOBQLHDYFVOLHL-LPWJVIDDSA-N 2 1 278.362 3.037 20 0 CGADMP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000414670770 380362428 /nfs/dbraw/zinc/36/24/28/380362428.db2.gz MSIVUZQVONDJQX-HWWQOWPSSA-N 2 1 296.817 3.347 20 0 CGADMP Cc1cc(F)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000414670770 380362434 /nfs/dbraw/zinc/36/24/34/380362434.db2.gz MSIVUZQVONDJQX-HWWQOWPSSA-N 2 1 296.817 3.347 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000414812676 380424381 /nfs/dbraw/zinc/42/43/81/380424381.db2.gz LHWZMPKXDDQDQS-INIZCTEOSA-N 2 1 271.408 3.150 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000414817868 380427967 /nfs/dbraw/zinc/42/79/67/380427967.db2.gz UAORTKFXIZQXHM-RDJZCZTQSA-N 2 1 262.441 3.423 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772473 380398717 /nfs/dbraw/zinc/39/87/17/380398717.db2.gz BUQLWKFSLZTLPS-HOTGVXAUSA-N 2 1 284.403 3.254 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000414790329 380406868 /nfs/dbraw/zinc/40/68/68/380406868.db2.gz ZPVRXWUDQVDQAY-FUHWJXTLSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414793561 380409507 /nfs/dbraw/zinc/40/95/07/380409507.db2.gz KOSMAZTXIHOVNH-ZDUSSCGKSA-N 2 1 274.330 3.087 20 0 CGADMP CC(C)(C)c1cnc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414795765 380410184 /nfs/dbraw/zinc/41/01/84/380410184.db2.gz HDMTWGQTOIFKEU-NEPJUHHUSA-N 2 1 281.469 3.048 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])co2)cc1 ZINC000414796317 380410801 /nfs/dbraw/zinc/41/08/01/380410801.db2.gz HMOAFWCNBSGVDO-RDJZCZTQSA-N 2 1 299.418 3.257 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000414803792 380415921 /nfs/dbraw/zinc/41/59/21/380415921.db2.gz OBGMLRFYDLMHKM-HNNXBMFYSA-N 2 1 272.417 3.242 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(OCCC)c1 ZINC000414806347 380417979 /nfs/dbraw/zinc/41/79/79/380417979.db2.gz BNNUEYPKICEMEP-HNNXBMFYSA-N 2 1 264.413 3.083 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000414805779 380418743 /nfs/dbraw/zinc/41/87/43/380418743.db2.gz AUTVZODYSFYCRY-DOTOQJQBSA-N 2 1 262.441 3.423 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414810973 380421722 /nfs/dbraw/zinc/42/17/22/380421722.db2.gz YSXSEVFQCVZJFL-UHFFFAOYSA-N 2 1 280.721 3.186 20 0 CGADMP CCc1cnc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000414809316 380422646 /nfs/dbraw/zinc/42/26/46/380422646.db2.gz MAWZKHULLZXLDN-LLVKDONJSA-N 2 1 275.421 3.015 20 0 CGADMP c1ccc(CC[C@H]2CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414907597 380484622 /nfs/dbraw/zinc/48/46/22/380484622.db2.gz AQIAVYLTAKPWOJ-KZNAEPCWSA-N 2 1 272.436 3.130 20 0 CGADMP Cc1ccc(-c2cccc(C[NH2+][C@H](C)C[NH3+])c2)cc1 ZINC000414921751 380489970 /nfs/dbraw/zinc/48/99/70/380489970.db2.gz BQIBEAOSVYLQBH-CQSZACIVSA-N 2 1 254.377 3.099 20 0 CGADMP C[C@H](C[NH3+])[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414926370 380491098 /nfs/dbraw/zinc/49/10/98/380491098.db2.gz KELVSJNNCBVJOD-MRXNPFEDSA-N 2 1 282.431 3.025 20 0 CGADMP C[C@H](C[NH3+])[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414927932 380491611 /nfs/dbraw/zinc/49/16/11/380491611.db2.gz MRBDNBHEPDILOT-GFCCVEGCSA-N 2 1 290.357 3.034 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(Cl)c1 ZINC000414942030 380500123 /nfs/dbraw/zinc/50/01/23/380500123.db2.gz ZDENMRCNOXWAKW-LALPHHSUSA-N 2 1 266.816 3.031 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(Cl)c1 ZINC000414942031 380500153 /nfs/dbraw/zinc/50/01/53/380500153.db2.gz ZDENMRCNOXWAKW-YWPYICTPSA-N 2 1 266.816 3.031 20 0 CGADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000414947706 380501522 /nfs/dbraw/zinc/50/15/22/380501522.db2.gz VRLQHWVGEXZSIL-SMDDNHRTSA-N 2 1 299.256 3.097 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CCCCCC1 ZINC000414858773 380459656 /nfs/dbraw/zinc/45/96/56/380459656.db2.gz LGVKRNLEFQQMEC-UHFFFAOYSA-N 2 1 298.434 3.218 20 0 CGADMP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(Cl)c1Cl ZINC000414857467 380460426 /nfs/dbraw/zinc/46/04/26/380460426.db2.gz PNQXORZMJPPZCB-VIFPVBQESA-N 2 1 291.197 3.222 20 0 CGADMP CC1(C)CCC(C[NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414870661 380466918 /nfs/dbraw/zinc/46/69/18/380466918.db2.gz CNVUOOHGMRNQIF-UHFFFAOYSA-N 2 1 289.467 3.367 20 0 CGADMP C[C@@H](C[NH2+]CCC[NH2+]Cc1cccnc1)Cc1ccccc1 ZINC000414871886 380467004 /nfs/dbraw/zinc/46/70/04/380467004.db2.gz FENIOAOOJZWCCR-QGZVFWFLSA-N 2 1 297.446 3.030 20 0 CGADMP Clc1ccc(CCCC[NH2+][C@H]2CC[NH2+]C2)cc1Cl ZINC000414889108 380476120 /nfs/dbraw/zinc/47/61/20/380476120.db2.gz STWPGSIUJFPYKQ-LBPRGKRZSA-N 2 1 287.234 3.268 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000355110128 380578502 /nfs/dbraw/zinc/57/85/02/380578502.db2.gz BGZUXWMZQMHSTB-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000355110128 380578503 /nfs/dbraw/zinc/57/85/03/380578503.db2.gz BGZUXWMZQMHSTB-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@H]1c1ccccc1 ZINC000355128627 380588511 /nfs/dbraw/zinc/58/85/11/380588511.db2.gz CXXIAALFOQESEV-YRXWBPOGSA-N 2 1 284.447 3.349 20 0 CGADMP FC(F)C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000355158223 380603110 /nfs/dbraw/zinc/60/31/10/380603110.db2.gz SUPYHUCFAKBOJB-UHFFFAOYSA-N 2 1 294.389 3.286 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201516 380621711 /nfs/dbraw/zinc/62/17/11/380621711.db2.gz BDQRYQOSQXAMHY-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201516 380621717 /nfs/dbraw/zinc/62/17/17/380621717.db2.gz BDQRYQOSQXAMHY-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201516 380621721 /nfs/dbraw/zinc/62/17/21/380621721.db2.gz BDQRYQOSQXAMHY-RTBURBONSA-N 2 1 284.447 3.091 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201514 380622100 /nfs/dbraw/zinc/62/21/00/380622100.db2.gz BDQRYQOSQXAMHY-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201514 380622106 /nfs/dbraw/zinc/62/21/06/380622106.db2.gz BDQRYQOSQXAMHY-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201514 380622110 /nfs/dbraw/zinc/62/21/10/380622110.db2.gz BDQRYQOSQXAMHY-RBUKOAKNSA-N 2 1 284.447 3.091 20 0 CGADMP COc1ccc(CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000355347803 380651759 /nfs/dbraw/zinc/65/17/59/380651759.db2.gz XZYLXBHNGMCLCU-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccc(CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000355347803 380651766 /nfs/dbraw/zinc/65/17/66/380651766.db2.gz XZYLXBHNGMCLCU-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP COc1ccc(CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000355347803 380651772 /nfs/dbraw/zinc/65/17/72/380651772.db2.gz XZYLXBHNGMCLCU-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2=CCCC2)CC1 ZINC000645792109 380733806 /nfs/dbraw/zinc/73/38/06/380733806.db2.gz RXSBUYZHUJFSGW-UHFFFAOYSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355792409 380779594 /nfs/dbraw/zinc/77/95/94/380779594.db2.gz ZGYRIRZASNSMNE-SFHVURJKSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355792409 380779600 /nfs/dbraw/zinc/77/96/00/380779600.db2.gz ZGYRIRZASNSMNE-SFHVURJKSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355792409 380779607 /nfs/dbraw/zinc/77/96/07/380779607.db2.gz ZGYRIRZASNSMNE-SFHVURJKSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355792409 380779611 /nfs/dbraw/zinc/77/96/11/380779611.db2.gz ZGYRIRZASNSMNE-SFHVURJKSA-N 2 1 272.436 3.383 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419375804 380819648 /nfs/dbraw/zinc/81/96/48/380819648.db2.gz RFTHLPRDDJGAKN-INIZCTEOSA-N 2 1 293.480 3.189 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419375804 380819657 /nfs/dbraw/zinc/81/96/57/380819657.db2.gz RFTHLPRDDJGAKN-INIZCTEOSA-N 2 1 293.480 3.189 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000420321132 380847616 /nfs/dbraw/zinc/84/76/16/380847616.db2.gz QUFRIKLBPFZIBS-DJIMGWMZSA-N 2 1 290.451 3.248 20 0 CGADMP C[NH2+]CCC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420363921 380851869 /nfs/dbraw/zinc/85/18/69/380851869.db2.gz CEBWDBHIEWGPDU-FQEVSTJZSA-N 2 1 294.442 3.438 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357664 380852217 /nfs/dbraw/zinc/85/22/17/380852217.db2.gz DUTBTUGJENZNJQ-QZTJIDSGSA-N 2 1 270.420 3.140 20 0 CGADMP c1c2cccnc2oc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334760066 207030991 /nfs/dbraw/zinc/03/09/91/207030991.db2.gz BENWLJWYQJDOAV-INIZCTEOSA-N 2 1 299.418 3.278 20 0 CGADMP c1c2cccnc2oc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334760066 207030996 /nfs/dbraw/zinc/03/09/96/207030996.db2.gz BENWLJWYQJDOAV-INIZCTEOSA-N 2 1 299.418 3.278 20 0 CGADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000356844289 380898833 /nfs/dbraw/zinc/89/88/33/380898833.db2.gz HQDBHRQXOXNECE-FJIDUMEYSA-N 2 1 284.447 3.285 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000359994335 381402122 /nfs/dbraw/zinc/40/21/22/381402122.db2.gz MOYDCVGNYKLMSH-YYIAUSFCSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCCCC3)CC[NH2+]2)cc1 ZINC000334843491 207174931 /nfs/dbraw/zinc/17/49/31/207174931.db2.gz QKLUFFGQKVTWCM-IAGOWNOFSA-N 2 1 258.409 3.402 20 0 CGADMP c1ccc2cc(CC[N@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000360543373 381575810 /nfs/dbraw/zinc/57/58/10/381575810.db2.gz HHIYMSHYMLXDDA-IBGZPJMESA-N 2 1 280.415 3.068 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000334862281 207205222 /nfs/dbraw/zinc/20/52/22/207205222.db2.gz JTBDSZNMWNQSEW-ONGXEEELSA-N 2 1 273.207 3.224 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC(C)(C)C1 ZINC000361468946 381761160 /nfs/dbraw/zinc/76/11/60/381761160.db2.gz KIIFLNJSAWRRSO-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC000362393655 381973249 /nfs/dbraw/zinc/97/32/49/381973249.db2.gz UQCKSUWAXWGANU-KRWDZBQOSA-N 2 1 290.451 3.119 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000362393655 381973252 /nfs/dbraw/zinc/97/32/52/381973252.db2.gz UQCKSUWAXWGANU-KRWDZBQOSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)nc1 ZINC000362344311 381949327 /nfs/dbraw/zinc/94/93/27/381949327.db2.gz YLNXQLIVDDPBPU-FPMFFAJLSA-N 2 1 279.815 3.012 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)nc1 ZINC000362344311 381949334 /nfs/dbraw/zinc/94/93/34/381949334.db2.gz YLNXQLIVDDPBPU-FPMFFAJLSA-N 2 1 279.815 3.012 20 0 CGADMP CCC1(CC)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000362596944 382072285 /nfs/dbraw/zinc/07/22/85/382072285.db2.gz RYCXQMSRTZHPDG-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]21 ZINC000228536728 542299209 /nfs/dbraw/zinc/29/92/09/542299209.db2.gz XGEUXKGHNUJECE-KBAYOESNSA-N 2 1 270.420 3.123 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250086189 542341795 /nfs/dbraw/zinc/34/17/95/542341795.db2.gz PDGCQNAVCBGRLN-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250086189 542341799 /nfs/dbraw/zinc/34/17/99/542341799.db2.gz PDGCQNAVCBGRLN-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@H]1[NH3+] ZINC000251609540 542346551 /nfs/dbraw/zinc/34/65/51/542346551.db2.gz DNFFFDHTWQVQQH-IUODEOHRSA-N 2 1 274.433 3.461 20 0 CGADMP CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435394424 285076503 /nfs/dbraw/zinc/07/65/03/285076503.db2.gz NGWJSTGEWZYUGZ-DOTOQJQBSA-N 2 1 290.451 3.263 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2)C[C@H]1C ZINC000353749632 220302503 /nfs/dbraw/zinc/30/25/03/220302503.db2.gz WFVNDZAVXXBYPI-CZUORRHYSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2)C[C@H]1C ZINC000353749632 220302505 /nfs/dbraw/zinc/30/25/05/220302505.db2.gz WFVNDZAVXXBYPI-CZUORRHYSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2)C[C@H]1C ZINC000353749632 220302507 /nfs/dbraw/zinc/30/25/07/220302507.db2.gz WFVNDZAVXXBYPI-CZUORRHYSA-N 2 1 264.388 3.130 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C[C@H]1C ZINC000353749632 220302508 /nfs/dbraw/zinc/30/25/08/220302508.db2.gz WFVNDZAVXXBYPI-CZUORRHYSA-N 2 1 264.388 3.130 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)s2)C[C@H]1C ZINC000353756546 220309884 /nfs/dbraw/zinc/30/98/84/220309884.db2.gz VTQVKAPNRKPSTN-OCCSQVGLSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)s2)C[C@H]1C ZINC000353756546 220309888 /nfs/dbraw/zinc/30/98/88/220309888.db2.gz VTQVKAPNRKPSTN-OCCSQVGLSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)s2)C[C@H]1C ZINC000353756546 220309891 /nfs/dbraw/zinc/30/98/91/220309891.db2.gz VTQVKAPNRKPSTN-OCCSQVGLSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)s2)C[C@H]1C ZINC000353756546 220309895 /nfs/dbraw/zinc/30/98/95/220309895.db2.gz VTQVKAPNRKPSTN-OCCSQVGLSA-N 2 1 266.454 3.361 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353773835 220321147 /nfs/dbraw/zinc/32/11/47/220321147.db2.gz FEFDTGIKWMHZNN-AHCXZYCDSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353773835 220321150 /nfs/dbraw/zinc/32/11/50/220321150.db2.gz FEFDTGIKWMHZNN-AHCXZYCDSA-N 2 1 272.436 3.428 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)ccc2[nH]1 ZINC000353816857 220347391 /nfs/dbraw/zinc/34/73/91/220347391.db2.gz MVSQWMHKOFPUPO-UHOSZYNNSA-N 2 1 297.446 3.439 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000289141121 197245025 /nfs/dbraw/zinc/24/50/25/197245025.db2.gz YPGGZZGVCYZQQK-UHFFFAOYSA-N 2 1 299.418 3.255 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000289141121 197245026 /nfs/dbraw/zinc/24/50/26/197245026.db2.gz YPGGZZGVCYZQQK-UHFFFAOYSA-N 2 1 299.418 3.255 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1SC ZINC000423273362 533117397 /nfs/dbraw/zinc/11/73/97/533117397.db2.gz KKRCEFUSTBNQCE-DGCLKSJQSA-N 2 1 282.453 3.051 20 0 CGADMP CCc1cccc(F)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000354510574 220776752 /nfs/dbraw/zinc/77/67/52/220776752.db2.gz VMIVUUQUQGHEAY-UHFFFAOYSA-N 2 1 289.398 3.463 20 0 CGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423457104 533189626 /nfs/dbraw/zinc/18/96/26/533189626.db2.gz FJBJXSMSLQVEKR-KHYOSLBOSA-N 2 1 298.430 3.304 20 0 CGADMP Fc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339067415 542486100 /nfs/dbraw/zinc/48/61/00/542486100.db2.gz HRJPMFOVOPRUHX-IRXDYDNUSA-N 2 1 288.410 3.074 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337336280 542480232 /nfs/dbraw/zinc/48/02/32/542480232.db2.gz LZRBOMKRJUWLON-LZLYRXPVSA-N 2 1 289.467 3.428 20 0 CGADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)[C@H](C)[NH3+] ZINC000423454948 533513614 /nfs/dbraw/zinc/51/36/14/533513614.db2.gz ZRWUNHKSWCEENS-IMSIIYSGSA-N 2 1 252.789 3.116 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414216996 533539642 /nfs/dbraw/zinc/53/96/42/533539642.db2.gz BKSWWPHGXHCZAN-PVAVHDDUSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1cncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000190020385 130052110 /nfs/dbraw/zinc/05/21/10/130052110.db2.gz KKBUCYZELQEFDT-NVXWUHKLSA-N 2 1 287.451 3.133 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000383695828 542601396 /nfs/dbraw/zinc/60/13/96/542601396.db2.gz ZPFUHIKAANRDOU-CYBMUJFWSA-N 2 1 290.329 3.048 20 0 CGADMP Cc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccc2n1 ZINC000390456558 542609588 /nfs/dbraw/zinc/60/95/88/542609588.db2.gz DUWNGDMQLMCJGN-HKUYNNGSSA-N 2 1 295.430 3.104 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191185353 130198451 /nfs/dbraw/zinc/19/84/51/130198451.db2.gz SLNBGXSIUAPEDY-WDEREUQCSA-N 2 1 272.845 3.394 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191185353 130198452 /nfs/dbraw/zinc/19/84/52/130198452.db2.gz SLNBGXSIUAPEDY-WDEREUQCSA-N 2 1 272.845 3.394 20 0 CGADMP C[N@@H+](CCC(C)(C)C)Cc1cccc2c1CC[NH2+]C2 ZINC000399903754 542621159 /nfs/dbraw/zinc/62/11/59/542621159.db2.gz VILZBIKWYXJRIU-UHFFFAOYSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000090795099 392229621 /nfs/dbraw/zinc/22/96/21/392229621.db2.gz BSSYTQZEIWEAQH-KGLIPLIRSA-N 2 1 269.392 3.438 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000361766500 392318689 /nfs/dbraw/zinc/31/86/89/392318689.db2.gz SZQZXNWUDLMIPU-FQLMCAECSA-N 2 1 296.480 3.144 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000361766500 392318694 /nfs/dbraw/zinc/31/86/94/392318694.db2.gz SZQZXNWUDLMIPU-FQLMCAECSA-N 2 1 296.480 3.144 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000105442611 392289666 /nfs/dbraw/zinc/28/96/66/392289666.db2.gz XBHJIFKDKHALSP-SNVBAGLBSA-N 2 1 297.324 3.035 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000250263831 131125153 /nfs/dbraw/zinc/12/51/53/131125153.db2.gz KDDOJSWUNNMYKW-OLZOCXBDSA-N 2 1 252.427 3.049 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000361984208 392380291 /nfs/dbraw/zinc/38/02/91/392380291.db2.gz YHRFABHFQWOMAE-HUUCEWRRSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2cc(F)ccc2[nH+]1 ZINC000128121164 392449137 /nfs/dbraw/zinc/44/91/37/392449137.db2.gz USQRPVGVERYDFN-CABCVRRESA-N 2 1 299.393 3.355 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000128885381 392450642 /nfs/dbraw/zinc/45/06/42/392450642.db2.gz OUIADJJAZXZNNT-RYUDHWBXSA-N 2 1 252.789 3.133 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000130048174 392453678 /nfs/dbraw/zinc/45/36/78/392453678.db2.gz DJSYLCCXOMGRJQ-SJCJKPOMSA-N 2 1 290.838 3.401 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000291645816 392476692 /nfs/dbraw/zinc/47/66/92/392476692.db2.gz UDSCENCKKFTWBP-LSDHHAIUSA-N 2 1 278.440 3.032 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000291645816 392476699 /nfs/dbraw/zinc/47/66/99/392476699.db2.gz UDSCENCKKFTWBP-LSDHHAIUSA-N 2 1 278.440 3.032 20 0 CGADMP C[N@H+]1CCC[C@]2(CCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000292652579 392508249 /nfs/dbraw/zinc/50/82/49/392508249.db2.gz BVMGQLRHVSFMCI-SFHVURJKSA-N 2 1 281.403 3.157 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000302380990 392614799 /nfs/dbraw/zinc/61/47/99/392614799.db2.gz IHIDUNZUMDJHSF-OLZOCXBDSA-N 2 1 262.388 3.117 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000296084050 392554457 /nfs/dbraw/zinc/55/44/57/392554457.db2.gz STGYWIMVVKNCGE-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000301712302 392596687 /nfs/dbraw/zinc/59/66/87/392596687.db2.gz LEFULFYKDNENOB-QAPCUYQASA-N 2 1 295.430 3.464 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC12CCCCC2 ZINC000372312944 392598511 /nfs/dbraw/zinc/59/85/11/392598511.db2.gz FPBBSGHEBGCORA-UHFFFAOYSA-N 2 1 261.413 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC12CCCCC2 ZINC000372312944 392598513 /nfs/dbraw/zinc/59/85/13/392598513.db2.gz FPBBSGHEBGCORA-UHFFFAOYSA-N 2 1 261.413 3.380 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000314510114 392667980 /nfs/dbraw/zinc/66/79/80/392667980.db2.gz FHHXPSRRRTZKPI-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344611 392693254 /nfs/dbraw/zinc/69/32/54/392693254.db2.gz VJBHSUIEAIAJFS-BGTYHANMSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccncc1 ZINC000647283157 392635103 /nfs/dbraw/zinc/63/51/03/392635103.db2.gz NJTHKFVCCNKNTN-SQNIBIBYSA-N 2 1 287.451 3.385 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccncc1 ZINC000647283154 392635238 /nfs/dbraw/zinc/63/52/38/392635238.db2.gz NJTHKFVCCNKNTN-BZSNNMDCSA-N 2 1 287.451 3.385 20 0 CGADMP CCC[NH+]1CCC([NH2+]C2(c3ccccc3C)CC2)CC1 ZINC000647316027 392660163 /nfs/dbraw/zinc/66/01/63/392660163.db2.gz LRXKZFVUAFXOEW-UHFFFAOYSA-N 2 1 272.436 3.448 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1[NH3+] ZINC000647497415 392740864 /nfs/dbraw/zinc/74/08/64/392740864.db2.gz GTMQNZCGVAHNLT-WMZOPIPTSA-N 2 1 288.435 3.035 20 0 CGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000647514280 392745788 /nfs/dbraw/zinc/74/57/88/392745788.db2.gz XRCHSZUNKSDJEG-INIZCTEOSA-N 2 1 296.842 3.040 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC000334704934 392747800 /nfs/dbraw/zinc/74/78/00/392747800.db2.gz CVHJHGWBJYPNPF-TZMCWYRMSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC000334704934 392747804 /nfs/dbraw/zinc/74/78/04/392747804.db2.gz CVHJHGWBJYPNPF-TZMCWYRMSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CC2CCC(F)(F)CC2)CC[NH+]1C ZINC000334704934 392747808 /nfs/dbraw/zinc/74/78/08/392747808.db2.gz CVHJHGWBJYPNPF-TZMCWYRMSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)CC[NH+]1C ZINC000334704934 392747811 /nfs/dbraw/zinc/74/78/11/392747811.db2.gz CVHJHGWBJYPNPF-TZMCWYRMSA-N 2 1 274.399 3.226 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543945 392760838 /nfs/dbraw/zinc/76/08/38/392760838.db2.gz USSISITWMOSUFD-CABCVRRESA-N 2 1 278.465 3.268 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543038 392761069 /nfs/dbraw/zinc/76/10/69/392761069.db2.gz GXBQEMXDKIKFTH-QZTJIDSGSA-N 2 1 272.436 3.207 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000647545698 392762516 /nfs/dbraw/zinc/76/25/16/392762516.db2.gz GEWHTVZVWQCBNW-NVXWUHKLSA-N 2 1 295.430 3.056 20 0 CGADMP CC(C)[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000505868020 392702764 /nfs/dbraw/zinc/70/27/64/392702764.db2.gz KBRPNIRXLKAEMC-UHFFFAOYSA-N 2 1 262.441 3.485 20 0 CGADMP CC(C)[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000505868020 392702770 /nfs/dbraw/zinc/70/27/70/392702770.db2.gz KBRPNIRXLKAEMC-UHFFFAOYSA-N 2 1 262.441 3.485 20 0 CGADMP CC(C)[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000505868020 392702776 /nfs/dbraw/zinc/70/27/76/392702776.db2.gz KBRPNIRXLKAEMC-UHFFFAOYSA-N 2 1 262.441 3.485 20 0 CGADMP CC(C)[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000505868020 392702781 /nfs/dbraw/zinc/70/27/81/392702781.db2.gz KBRPNIRXLKAEMC-UHFFFAOYSA-N 2 1 262.441 3.485 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1ccccc1Oc1ccccc1 ZINC000647847147 392813504 /nfs/dbraw/zinc/81/35/04/392813504.db2.gz BRKFVXNOMIZYEU-UHFFFAOYSA-N 2 1 270.376 3.260 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccccc1Oc1ccccc1 ZINC000647847147 392813507 /nfs/dbraw/zinc/81/35/07/392813507.db2.gz BRKFVXNOMIZYEU-UHFFFAOYSA-N 2 1 270.376 3.260 20 0 CGADMP COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647873530 392818494 /nfs/dbraw/zinc/81/84/94/392818494.db2.gz WPALZODPWWAILF-CRAIPNDOSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000647874839 392820340 /nfs/dbraw/zinc/82/03/40/392820340.db2.gz CGRBALHHSUJIGO-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647875489 392821270 /nfs/dbraw/zinc/82/12/70/392821270.db2.gz DSMNISVGJRTESI-RYUDHWBXSA-N 2 1 286.341 3.308 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1C ZINC000647881219 392822540 /nfs/dbraw/zinc/82/25/40/392822540.db2.gz VIILFGNLIMDDHC-NVXWUHKLSA-N 2 1 258.409 3.050 20 0 CGADMP C([C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647882653 392824405 /nfs/dbraw/zinc/82/44/05/392824405.db2.gz JTFJAZSBPLJCCO-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647885018 392826107 /nfs/dbraw/zinc/82/61/07/392826107.db2.gz YAALMQFBBWSXOZ-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647885017 392826203 /nfs/dbraw/zinc/82/62/03/392826203.db2.gz YAALMQFBBWSXOZ-HYVNUMGLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@H]1CC[NH2+]C1 ZINC000647888057 392826528 /nfs/dbraw/zinc/82/65/28/392826528.db2.gz GIDSPSCKCYZFEI-RDJZCZTQSA-N 2 1 272.436 3.459 20 0 CGADMP c1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCS2)cc1 ZINC000647885684 392826669 /nfs/dbraw/zinc/82/66/69/392826669.db2.gz FINKCZGEEYXOGB-QGZVFWFLSA-N 2 1 290.476 3.166 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000647888121 392827346 /nfs/dbraw/zinc/82/73/46/392827346.db2.gz NJJKHEAWADOOBQ-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000647903562 392828450 /nfs/dbraw/zinc/82/84/50/392828450.db2.gz LWJHSXRWEPTYMB-JKSUJKDBSA-N 2 1 278.465 3.145 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000380835261 392905793 /nfs/dbraw/zinc/90/57/93/392905793.db2.gz LSFJHJYATKITJO-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647990196 392859031 /nfs/dbraw/zinc/85/90/31/392859031.db2.gz FAFROCONCXZGIY-INMHGKMJSA-N 2 1 288.435 3.078 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392282173 392929316 /nfs/dbraw/zinc/92/93/16/392929316.db2.gz RYGWJUIHQRCBLH-HZPDHXFCSA-N 2 1 250.430 3.053 20 0 CGADMP CCC1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459721764 392952406 /nfs/dbraw/zinc/95/24/06/392952406.db2.gz AUITZQHUPZFKFX-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOC(F)F)C[C@@H]1c1ccccc1 ZINC000340385605 392972592 /nfs/dbraw/zinc/97/25/92/392972592.db2.gz XCYLGDMRDTZUJA-HUUCEWRRSA-N 2 1 298.377 3.041 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOC(F)F)C[C@@H]1c1ccccc1 ZINC000340385605 392972596 /nfs/dbraw/zinc/97/25/96/392972596.db2.gz XCYLGDMRDTZUJA-HUUCEWRRSA-N 2 1 298.377 3.041 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462104384 392967220 /nfs/dbraw/zinc/96/72/20/392967220.db2.gz JWWGYCOAJNVSGD-CGTJXYLNSA-N 2 1 274.452 3.388 20 0 CGADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462104384 392967223 /nfs/dbraw/zinc/96/72/23/392967223.db2.gz JWWGYCOAJNVSGD-CGTJXYLNSA-N 2 1 274.452 3.388 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000559269724 542757662 /nfs/dbraw/zinc/75/76/62/542757662.db2.gz MVSDUVDUGXSPCY-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000221909050 393007637 /nfs/dbraw/zinc/00/76/37/393007637.db2.gz ADHAGJYRWMUDQS-INIZCTEOSA-N 2 1 264.388 3.133 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000221909050 393007647 /nfs/dbraw/zinc/00/76/47/393007647.db2.gz ADHAGJYRWMUDQS-INIZCTEOSA-N 2 1 264.388 3.133 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000648424315 393012884 /nfs/dbraw/zinc/01/28/84/393012884.db2.gz XLMCTJRHVQFSAD-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](CC)C2)C1 ZINC000648452033 393024156 /nfs/dbraw/zinc/02/41/56/393024156.db2.gz BQDPPAHLDZZQNI-BRWVUGGUSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](CC)C2)C1 ZINC000648452033 393024162 /nfs/dbraw/zinc/02/41/62/393024162.db2.gz BQDPPAHLDZZQNI-BRWVUGGUSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](CC)C2)C1 ZINC000648452036 393024177 /nfs/dbraw/zinc/02/41/77/393024177.db2.gz BQDPPAHLDZZQNI-ZACQAIPSSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](CC)C2)C1 ZINC000648452036 393024182 /nfs/dbraw/zinc/02/41/82/393024182.db2.gz BQDPPAHLDZZQNI-ZACQAIPSSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000546035027 393026594 /nfs/dbraw/zinc/02/65/94/393026594.db2.gz BJFUTVAIVSDPHU-UHFFFAOYSA-N 2 1 294.414 3.084 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)s1)[C@H](C)[NH3+] ZINC000415004285 393089540 /nfs/dbraw/zinc/08/95/40/393089540.db2.gz HKPYVESQIXFASU-WDEREUQCSA-N 2 1 278.396 3.380 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)CC[N@@H+]1C ZINC000648464997 393034884 /nfs/dbraw/zinc/03/48/84/393034884.db2.gz NIXFMHXHIPWRIB-OLMNPRSZSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)CC[N@H+]1C ZINC000648464997 393034888 /nfs/dbraw/zinc/03/48/88/393034888.db2.gz NIXFMHXHIPWRIB-OLMNPRSZSA-N 2 1 272.436 3.006 20 0 CGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414710900 393052509 /nfs/dbraw/zinc/05/25/09/393052509.db2.gz SVPHOYZYVIAYOG-KCQAQPDRSA-N 2 1 278.465 3.445 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)CC[NH2+]1 ZINC000414708363 393052632 /nfs/dbraw/zinc/05/26/32/393052632.db2.gz NSZUBWSADXGODJ-FRRDWIJNSA-N 2 1 294.389 3.272 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695686 393052982 /nfs/dbraw/zinc/05/29/82/393052982.db2.gz GYYCMUSGNSXHDX-RYQLBKOJSA-N 2 1 274.452 3.328 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414818313 393054721 /nfs/dbraw/zinc/05/47/21/393054721.db2.gz VGNCZBCKOZQDCD-MCIGGMRASA-N 2 1 266.351 3.215 20 0 CGADMP CCCCOc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414954939 393063571 /nfs/dbraw/zinc/06/35/71/393063571.db2.gz SYXSJTVFXTUXSM-GDBMZVCRSA-N 2 1 276.424 3.096 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)oc2cc1C ZINC000414959182 393067582 /nfs/dbraw/zinc/06/75/82/393067582.db2.gz PVDQYOFIWHGDJD-CZUORRHYSA-N 2 1 272.392 3.137 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000414980506 393077850 /nfs/dbraw/zinc/07/78/50/393077850.db2.gz PNKAXEBNIQYVRN-KRWDZBQOSA-N 2 1 284.403 3.093 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000414988270 393081285 /nfs/dbraw/zinc/08/12/85/393081285.db2.gz ZMULKQTUELGUMN-QGZVFWFLSA-N 2 1 254.377 3.181 20 0 CGADMP CC(C)=CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000548099713 393174315 /nfs/dbraw/zinc/17/43/15/393174315.db2.gz SDIIZOLOEFDMPR-HDICACEKSA-N 2 1 270.420 3.016 20 0 CGADMP CC(C)=CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000548099713 393174322 /nfs/dbraw/zinc/17/43/22/393174322.db2.gz SDIIZOLOEFDMPR-HDICACEKSA-N 2 1 270.420 3.016 20 0 CGADMP CC(C)=CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000548099713 393174329 /nfs/dbraw/zinc/17/43/29/393174329.db2.gz SDIIZOLOEFDMPR-HDICACEKSA-N 2 1 270.420 3.016 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000415050421 393112501 /nfs/dbraw/zinc/11/25/01/393112501.db2.gz CLIOYYSUBCQOEH-MRXNPFEDSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000415059505 393120404 /nfs/dbraw/zinc/12/04/04/393120404.db2.gz XAUNELWGPBOFEA-MDASCCDHSA-N 2 1 298.405 3.274 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415073902 393129473 /nfs/dbraw/zinc/12/94/73/393129473.db2.gz ZZWFSXKDMOLAFD-ZYHUDNBSSA-N 2 1 266.351 3.215 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CCCC1 ZINC000415071908 393130400 /nfs/dbraw/zinc/13/04/00/393130400.db2.gz XAHGSRPGMYCFMC-QGZVFWFLSA-N 2 1 258.409 3.171 20 0 CGADMP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415078253 393132355 /nfs/dbraw/zinc/13/23/55/393132355.db2.gz GFLPKUDJCRLFMZ-MSOLQXFVSA-N 2 1 284.378 3.409 20 0 CGADMP Fc1ccccc1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415081874 393134154 /nfs/dbraw/zinc/13/41/54/393134154.db2.gz CNGATTXTPYCQGP-MJGOQNOKSA-N 2 1 298.405 3.451 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000261542690 393141208 /nfs/dbraw/zinc/14/12/08/393141208.db2.gz CHJKFBLHJFWVDD-ZDUSSCGKSA-N 2 1 275.223 3.456 20 0 CGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261701332 393141286 /nfs/dbraw/zinc/14/12/86/393141286.db2.gz ILJVQUFFWGASCU-JCGIZDLHSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261809326 393143284 /nfs/dbraw/zinc/14/32/84/393143284.db2.gz HNYHTZUTHUPBEH-JFIYKMOQSA-N 2 1 272.436 3.172 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415102648 393144541 /nfs/dbraw/zinc/14/45/41/393144541.db2.gz BHYSEBXJIWCFLS-WWGRRREGSA-N 2 1 279.403 3.182 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2ccccc21 ZINC000415095921 393145619 /nfs/dbraw/zinc/14/56/19/393145619.db2.gz AAUMVAOTLKMQMQ-TZMCWYRMSA-N 2 1 264.438 3.187 20 0 CGADMP Cc1nc2ccc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc2s1 ZINC000415128522 393152850 /nfs/dbraw/zinc/15/28/50/393152850.db2.gz OFOLQLLZHVBXCW-BXUZGUMPSA-N 2 1 289.448 3.021 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CCO1 ZINC000648639393 393157741 /nfs/dbraw/zinc/15/77/41/393157741.db2.gz WYTDOGFAWSKNST-ULQDDVLXSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC000646243311 393245445 /nfs/dbraw/zinc/24/54/45/393245445.db2.gz HYPBYQNFMUEEAX-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000646243311 393245447 /nfs/dbraw/zinc/24/54/47/393245447.db2.gz HYPBYQNFMUEEAX-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000646243311 393245454 /nfs/dbraw/zinc/24/54/54/393245454.db2.gz HYPBYQNFMUEEAX-IBGZPJMESA-N 2 1 284.447 3.482 20 0 CGADMP Cc1ccc2[nH]c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2c1C ZINC000472058739 393330029 /nfs/dbraw/zinc/33/00/29/393330029.db2.gz QZCYTXVYIMKSJX-HNNXBMFYSA-N 2 1 297.446 3.359 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCCCC1 ZINC000475191386 393380688 /nfs/dbraw/zinc/38/06/88/393380688.db2.gz CSYCFDXPZMRJSG-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCCC1 ZINC000475191386 393380694 /nfs/dbraw/zinc/38/06/94/393380694.db2.gz CSYCFDXPZMRJSG-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCCCCC1 ZINC000475191389 393381303 /nfs/dbraw/zinc/38/13/03/393381303.db2.gz CSYCFDXPZMRJSG-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCCC1 ZINC000475191389 393381306 /nfs/dbraw/zinc/38/13/06/393381306.db2.gz CSYCFDXPZMRJSG-SJORKVTESA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000475197873 393381491 /nfs/dbraw/zinc/38/14/91/393381491.db2.gz ZCQDUWJUJVHKJJ-KURKYZTESA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000475197873 393381498 /nfs/dbraw/zinc/38/14/98/393381498.db2.gz ZCQDUWJUJVHKJJ-KURKYZTESA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647212382 393390802 /nfs/dbraw/zinc/39/08/02/393390802.db2.gz QZMXOCFEVAPDSS-LBPRGKRZSA-N 2 1 262.388 3.274 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647212382 393390809 /nfs/dbraw/zinc/39/08/09/393390809.db2.gz QZMXOCFEVAPDSS-LBPRGKRZSA-N 2 1 262.388 3.274 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000475352335 393395593 /nfs/dbraw/zinc/39/55/93/393395593.db2.gz NKAHDMJQDDHOOH-JKSUJKDBSA-N 2 1 262.441 3.246 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000417878186 393356466 /nfs/dbraw/zinc/35/64/66/393356466.db2.gz DPLDUWVNMDLSOZ-QGZVFWFLSA-N 2 1 290.451 3.184 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000417949502 393357471 /nfs/dbraw/zinc/35/74/71/393357471.db2.gz KLIOUWLSIVMCKC-CZUORRHYSA-N 2 1 299.418 3.399 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cscc1C(F)(F)F ZINC000356156092 393362583 /nfs/dbraw/zinc/36/25/83/393362583.db2.gz AHPTWOWOMCOGSP-VIFPVBQESA-N 2 1 280.359 3.197 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cscc1C(F)(F)F ZINC000356156090 393363017 /nfs/dbraw/zinc/36/30/17/393363017.db2.gz AHPTWOWOMCOGSP-SECBINFHSA-N 2 1 280.359 3.197 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC000647170816 393367444 /nfs/dbraw/zinc/36/74/44/393367444.db2.gz PKZUOSRLZNIQTH-CQSZACIVSA-N 2 1 274.399 3.274 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647179575 393373297 /nfs/dbraw/zinc/37/32/97/393373297.db2.gz FLSCRUVIQRUGPK-ZDUSSCGKSA-N 2 1 274.399 3.274 20 0 CGADMP COc1cccc2c(N[C@@H](C)CCC[NH3+])cc(C)[nH+]c12 ZINC000420260539 393444901 /nfs/dbraw/zinc/44/49/01/393444901.db2.gz IXZZNEQVEFQVCE-NSHDSACASA-N 2 1 273.380 3.091 20 0 CGADMP CC(C)Oc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1Cl ZINC000420267275 393446171 /nfs/dbraw/zinc/44/61/71/393446171.db2.gz FJAYKBHQXJMFTP-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1Cl ZINC000420267275 393446177 /nfs/dbraw/zinc/44/61/77/393446177.db2.gz FJAYKBHQXJMFTP-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420394426 393482142 /nfs/dbraw/zinc/48/21/42/393482142.db2.gz KMGHUWAMGSUMQT-ROUUACIJSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420288501 393449839 /nfs/dbraw/zinc/44/98/39/393449839.db2.gz IYBORDFEYURFCZ-RVSPLBMKSA-N 2 1 276.399 3.262 20 0 CGADMP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CCCc2ccc(F)cc21 ZINC000420288076 393450473 /nfs/dbraw/zinc/45/04/73/393450473.db2.gz IQBQQQYNIJNVFV-OAHLLOKOSA-N 2 1 264.388 3.120 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420297521 393452981 /nfs/dbraw/zinc/45/29/81/393452981.db2.gz GBXXYQFLJNQDLL-MSOLQXFVSA-N 2 1 272.436 3.002 20 0 CGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000420300145 393455014 /nfs/dbraw/zinc/45/50/14/393455014.db2.gz HIUHJBGQTWDWGC-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2C(C)C)cc1 ZINC000420300755 393455927 /nfs/dbraw/zinc/45/59/27/393455927.db2.gz KLJKDGGGYHKLRN-FUHWJXTLSA-N 2 1 290.451 3.248 20 0 CGADMP CSc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420392627 393482630 /nfs/dbraw/zinc/48/26/30/393482630.db2.gz IZVSOCGRSVOULW-GOEBONIOSA-N 2 1 290.476 3.373 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1C ZINC000420302866 393457844 /nfs/dbraw/zinc/45/78/44/393457844.db2.gz JTZKAFBSRFPCEM-SJLPKXTDSA-N 2 1 272.436 3.440 20 0 CGADMP Fc1cccc(CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420304447 393457857 /nfs/dbraw/zinc/45/78/57/393457857.db2.gz OMSYUYBZMPCRJJ-INIZCTEOSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000420310357 393459309 /nfs/dbraw/zinc/45/93/09/393459309.db2.gz PRJOICBYTWPSLS-GXTWGEPZSA-N 2 1 296.842 3.296 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000420310357 393459316 /nfs/dbraw/zinc/45/93/16/393459316.db2.gz PRJOICBYTWPSLS-GXTWGEPZSA-N 2 1 296.842 3.296 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc2ccccc2s1 ZINC000420308955 393459592 /nfs/dbraw/zinc/45/95/92/393459592.db2.gz SPDAXNMHCRJWLF-ZDUSSCGKSA-N 2 1 289.448 3.118 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000420312378 393461322 /nfs/dbraw/zinc/46/13/22/393461322.db2.gz WVPCMNCQMKQGTE-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420314579 393461370 /nfs/dbraw/zinc/46/13/70/393461370.db2.gz ZBAWBJHKFDATHE-UKRRQHHQSA-N 2 1 278.827 3.129 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1C(F)(F)F ZINC000420315971 393461502 /nfs/dbraw/zinc/46/15/02/393461502.db2.gz MAYWOKPEPROITR-GFCCVEGCSA-N 2 1 286.341 3.137 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420317627 393462847 /nfs/dbraw/zinc/46/28/47/393462847.db2.gz NNHPXDWYKALGGF-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP COc1ccccc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420316621 393463333 /nfs/dbraw/zinc/46/33/33/393463333.db2.gz MTPNJJYDJGBCRG-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420318321 393463494 /nfs/dbraw/zinc/46/34/94/393463494.db2.gz OMELWOCVKNZPGD-NVXWUHKLSA-N 2 1 258.409 3.132 20 0 CGADMP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1c(Cl)cccc1Cl ZINC000420318281 393463626 /nfs/dbraw/zinc/46/36/26/393463626.db2.gz OHUCOQSXGMGKLR-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1c(Cl)cccc1Cl ZINC000420318281 393463629 /nfs/dbraw/zinc/46/36/29/393463629.db2.gz OHUCOQSXGMGKLR-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP CC[N@@H+](CCCCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000420319592 393464195 /nfs/dbraw/zinc/46/41/95/393464195.db2.gz XVZHYDPZDYVMDG-GFCCVEGCSA-N 2 1 266.351 3.183 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321099 393465115 /nfs/dbraw/zinc/46/51/15/393465115.db2.gz CHKKJMSHUWRDEC-RBUKOAKNSA-N 2 1 286.463 3.249 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320234 393465561 /nfs/dbraw/zinc/46/55/61/393465561.db2.gz BBMKMADDYRUMRK-BPLDGKMQSA-N 2 1 294.389 3.347 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328663 393468353 /nfs/dbraw/zinc/46/83/53/393468353.db2.gz MRPZCTATSDNPPI-FGTMMUONSA-N 2 1 272.436 3.459 20 0 CGADMP CCCC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420328567 393468791 /nfs/dbraw/zinc/46/87/91/393468791.db2.gz ZYWCSUJBALURSH-OAHLLOKOSA-N 2 1 276.424 3.002 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332697 393469230 /nfs/dbraw/zinc/46/92/30/393469230.db2.gz DQIWOWHMVSXFLM-HYVNUMGLSA-N 2 1 258.409 3.069 20 0 CGADMP CCC(C)(C)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420363200 393474676 /nfs/dbraw/zinc/47/46/76/393474676.db2.gz BJBGTLOUURXNQD-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1C ZINC000420360755 393475388 /nfs/dbraw/zinc/47/53/88/393475388.db2.gz LKBBIKJXPVVOEH-HNNXBMFYSA-N 2 1 280.481 3.359 20 0 CGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420359805 393475684 /nfs/dbraw/zinc/47/56/84/393475684.db2.gz KVRNGFQTQBDRLN-AEFFLSMTSA-N 2 1 272.436 3.440 20 0 CGADMP CC1CCC(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000429541207 393477007 /nfs/dbraw/zinc/47/70/07/393477007.db2.gz VMMHCCPXKFETCT-UYSNPLJNSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488357615 393496365 /nfs/dbraw/zinc/49/63/65/393496365.db2.gz VWAXLTSGVRZEQS-WBVHZDCISA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488357615 393496369 /nfs/dbraw/zinc/49/63/69/393496369.db2.gz VWAXLTSGVRZEQS-WBVHZDCISA-N 2 1 272.436 3.239 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488416887 393504527 /nfs/dbraw/zinc/50/45/27/393504527.db2.gz QZKSVLPXEVGLNX-ILXRZTDVSA-N 2 1 284.513 3.228 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2C[C@@H]2C)cc1F ZINC000488432690 393511138 /nfs/dbraw/zinc/51/11/38/393511138.db2.gz HAEUVDMYIZHXRC-SMDDNHRTSA-N 2 1 273.355 3.065 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCOC1 ZINC000358440350 393525377 /nfs/dbraw/zinc/52/53/77/393525377.db2.gz ACMGFIMCFZRIKB-KONPQCLYSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000359556582 393551743 /nfs/dbraw/zinc/55/17/43/393551743.db2.gz MGCZXGMGSHRSQR-IXDOHACOSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[C@@]2(CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000359556582 393551746 /nfs/dbraw/zinc/55/17/46/393551746.db2.gz MGCZXGMGSHRSQR-IXDOHACOSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)C1 ZINC000359556580 393552070 /nfs/dbraw/zinc/55/20/70/393552070.db2.gz MGCZXGMGSHRSQR-BRWVUGGUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[C@@]2(CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000359556580 393552071 /nfs/dbraw/zinc/55/20/71/393552071.db2.gz MGCZXGMGSHRSQR-BRWVUGGUSA-N 2 1 264.457 3.373 20 0 CGADMP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855502 542820942 /nfs/dbraw/zinc/82/09/42/542820942.db2.gz WOUYWJJISZEOGH-GFCCVEGCSA-N 2 1 290.304 3.076 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318918 393602838 /nfs/dbraw/zinc/60/28/38/393602838.db2.gz IZDZXHAYTIUGRJ-RBUKOAKNSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318918 393602843 /nfs/dbraw/zinc/60/28/43/393602843.db2.gz IZDZXHAYTIUGRJ-RBUKOAKNSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318918 393602845 /nfs/dbraw/zinc/60/28/45/393602845.db2.gz IZDZXHAYTIUGRJ-RBUKOAKNSA-N 2 1 284.447 3.480 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000360887060 393607139 /nfs/dbraw/zinc/60/71/39/393607139.db2.gz VERYRQQZIMUPSK-QFBILLFUSA-N 2 1 296.414 3.414 20 0 CGADMP C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422827969 393643424 /nfs/dbraw/zinc/64/34/24/393643424.db2.gz AHFYZOZGYMNODQ-RRQGHBQHSA-N 2 1 290.476 3.137 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083709 393650511 /nfs/dbraw/zinc/65/05/11/393650511.db2.gz GKYINBFCYNMUKV-IRWJRLHMSA-N 2 1 276.399 3.049 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423265523 393657365 /nfs/dbraw/zinc/65/73/65/393657365.db2.gz BCNJSINKFXVXTP-SJORKVTESA-N 2 1 283.419 3.181 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423266464 393657406 /nfs/dbraw/zinc/65/74/06/393657406.db2.gz SCLKXRSAVWOABP-HOCLYGCPSA-N 2 1 264.388 3.166 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423288917 393659478 /nfs/dbraw/zinc/65/94/78/393659478.db2.gz VRQWOKPUASUQDC-ZDUSSCGKSA-N 2 1 297.240 3.153 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)s1 ZINC000361084690 393668472 /nfs/dbraw/zinc/66/84/72/393668472.db2.gz LVRONCLWDDOKQV-ZJUUUORDSA-N 2 1 281.812 3.264 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cc2c(c[nH+]1)CCCC2 ZINC000361185623 393696562 /nfs/dbraw/zinc/69/65/62/393696562.db2.gz HKUHCNDIZPLQRL-XJKCOSOUSA-N 2 1 273.424 3.101 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cc2c(c[nH+]1)CCCC2 ZINC000361185623 393696566 /nfs/dbraw/zinc/69/65/66/393696566.db2.gz HKUHCNDIZPLQRL-XJKCOSOUSA-N 2 1 273.424 3.101 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSC3CCCCC3)CC[C@@H]21 ZINC000500118946 393817405 /nfs/dbraw/zinc/81/74/05/393817405.db2.gz UGXJIRNTQBBNSK-RDJZCZTQSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSC3CCCCC3)CC[C@@H]21 ZINC000500118946 393817411 /nfs/dbraw/zinc/81/74/11/393817411.db2.gz UGXJIRNTQBBNSK-RDJZCZTQSA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSC3CCCCC3)CC[C@@H]21 ZINC000500118946 393817413 /nfs/dbraw/zinc/81/74/13/393817413.db2.gz UGXJIRNTQBBNSK-RDJZCZTQSA-N 2 1 296.524 3.468 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448057459 393867948 /nfs/dbraw/zinc/86/79/48/393867948.db2.gz XZYRWFHONKIEHR-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000502425490 393874959 /nfs/dbraw/zinc/87/49/59/393874959.db2.gz CSMNOGVVTJWFSZ-BZSNNMDCSA-N 2 1 294.483 3.046 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000502425490 393874962 /nfs/dbraw/zinc/87/49/62/393874962.db2.gz CSMNOGVVTJWFSZ-BZSNNMDCSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@H](C)C2 ZINC000449560462 393903816 /nfs/dbraw/zinc/90/38/16/393903816.db2.gz LLGKWWVZCIFVSV-JJQWWUTCSA-N 2 1 284.447 3.443 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560972 393904197 /nfs/dbraw/zinc/90/41/97/393904197.db2.gz REOXUESBSKWYFN-GWONACJQSA-N 2 1 250.430 3.026 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3=CCCCC3)CC[C@H]21 ZINC000450503161 394007097 /nfs/dbraw/zinc/00/70/97/394007097.db2.gz RGFONFHGZLEEJC-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@H]21 ZINC000450503161 394007098 /nfs/dbraw/zinc/00/70/98/394007098.db2.gz RGFONFHGZLEEJC-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3=CCCCC3)CC[C@H]21 ZINC000450503161 394007100 /nfs/dbraw/zinc/00/71/00/394007100.db2.gz RGFONFHGZLEEJC-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453104357 394172954 /nfs/dbraw/zinc/17/29/54/394172954.db2.gz ZIGPCIOBZQGOLW-RHSMWYFYSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000453604294 394256558 /nfs/dbraw/zinc/25/65/58/394256558.db2.gz YXMIAECVBROSJU-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP CSc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453605532 394256593 /nfs/dbraw/zinc/25/65/93/394256593.db2.gz UAKDROPIUUWJEA-UHFFFAOYSA-N 2 1 278.465 3.373 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000453245135 394218170 /nfs/dbraw/zinc/21/81/70/394218170.db2.gz HYKJMCSEBDWMGK-CCGTUFIJSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000453245135 394218174 /nfs/dbraw/zinc/21/81/74/394218174.db2.gz HYKJMCSEBDWMGK-CCGTUFIJSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(F)c1F ZINC000453390075 394227762 /nfs/dbraw/zinc/22/77/62/394227762.db2.gz CWABHUUKSXGRFP-GFCCVEGCSA-N 2 1 282.378 3.490 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000453398016 394232306 /nfs/dbraw/zinc/23/23/06/394232306.db2.gz KFYZGRVFBKBLSN-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000453398631 394232453 /nfs/dbraw/zinc/23/24/53/394232453.db2.gz KSAJBOUCPDMUIF-INIZCTEOSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000453410090 394237438 /nfs/dbraw/zinc/23/74/38/394237438.db2.gz UXSBXDLOQGFVML-LJQANCHMSA-N 2 1 286.463 3.472 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000453453653 394246845 /nfs/dbraw/zinc/24/68/45/394246845.db2.gz SYDLKPRTUWCQIL-DGADGQDISA-N 2 1 252.446 3.129 20 0 CGADMP CCOc1ccccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453597508 394253328 /nfs/dbraw/zinc/25/33/28/394253328.db2.gz NWHOTAGTTMGVFM-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP CC(C)Cc1ncc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453595030 394253371 /nfs/dbraw/zinc/25/33/71/394253371.db2.gz JWYJXVCEQIZSCR-UHFFFAOYSA-N 2 1 295.496 3.306 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667502966 542879801 /nfs/dbraw/zinc/87/98/01/542879801.db2.gz VQWQMIZKYZBQKY-INIZCTEOSA-N 2 1 284.407 3.278 20 0 CGADMP CC(C)C[C@@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667502966 542879804 /nfs/dbraw/zinc/87/98/04/542879804.db2.gz VQWQMIZKYZBQKY-INIZCTEOSA-N 2 1 284.407 3.278 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(COC)cs2)[C@H](C)C1 ZINC000667666789 542911819 /nfs/dbraw/zinc/91/18/19/542911819.db2.gz YBWDZNKRFBGPLQ-CZUORRHYSA-N 2 1 296.480 3.057 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(COC)cs2)[C@H](C)C1 ZINC000667666789 542911823 /nfs/dbraw/zinc/91/18/23/542911823.db2.gz YBWDZNKRFBGPLQ-CZUORRHYSA-N 2 1 296.480 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(COC)cs2)[C@H](C)C1 ZINC000667666789 542911827 /nfs/dbraw/zinc/91/18/27/542911827.db2.gz YBWDZNKRFBGPLQ-CZUORRHYSA-N 2 1 296.480 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(COC)cs2)[C@H](C)C1 ZINC000667666789 542911831 /nfs/dbraw/zinc/91/18/31/542911831.db2.gz YBWDZNKRFBGPLQ-CZUORRHYSA-N 2 1 296.480 3.057 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccncc3s2)CC[N@@H+]1C ZINC000667667947 542912425 /nfs/dbraw/zinc/91/24/25/542912425.db2.gz ZKYUEASJVWCFEQ-JSGCOSHPSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccncc3s2)CC[N@H+]1C ZINC000667667947 542912429 /nfs/dbraw/zinc/91/24/29/542912429.db2.gz ZKYUEASJVWCFEQ-JSGCOSHPSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccncc3s2)CC[NH+]1C ZINC000667667947 542912431 /nfs/dbraw/zinc/91/24/31/542912431.db2.gz ZKYUEASJVWCFEQ-JSGCOSHPSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccncc3s2)CC[NH+]1C ZINC000667667947 542912434 /nfs/dbraw/zinc/91/24/34/542912434.db2.gz ZKYUEASJVWCFEQ-JSGCOSHPSA-N 2 1 289.448 3.211 20 0 CGADMP CCC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000667673592 542913665 /nfs/dbraw/zinc/91/36/65/542913665.db2.gz GCQGMWBJDGIRNT-OAHLLOKOSA-N 2 1 284.407 3.279 20 0 CGADMP CCC[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667673592 542913667 /nfs/dbraw/zinc/91/36/67/542913667.db2.gz GCQGMWBJDGIRNT-OAHLLOKOSA-N 2 1 284.407 3.279 20 0 CGADMP CCC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667673592 542913669 /nfs/dbraw/zinc/91/36/69/542913669.db2.gz GCQGMWBJDGIRNT-OAHLLOKOSA-N 2 1 284.407 3.279 20 0 CGADMP Cc1cccc2[nH]c(CN3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc21 ZINC000668172985 542980837 /nfs/dbraw/zinc/98/08/37/542980837.db2.gz YULPCONRDQVFNS-DNVCBOLYSA-N 2 1 297.446 3.392 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC3(CCCC3)CC2)n1C ZINC000668479320 543018919 /nfs/dbraw/zinc/01/89/19/543018919.db2.gz WSQDUUADDONPNJ-UHFFFAOYSA-N 2 1 261.413 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(C)(C)C ZINC000670264917 543147166 /nfs/dbraw/zinc/14/71/66/543147166.db2.gz RAUWGTDDRRZWNM-JKSUJKDBSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670264868 543147177 /nfs/dbraw/zinc/14/71/77/543147177.db2.gz KTWKGJQKIPNZKJ-LSDHHAIUSA-N 2 1 254.462 3.332 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)C(C)(C)C)C[C@@H]1C ZINC000670264906 543147264 /nfs/dbraw/zinc/14/72/64/543147264.db2.gz QEMIDYGDQUOQHU-KKUMJFAQSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)C(C)(C)C)C[C@@H]1C ZINC000670264906 543147265 /nfs/dbraw/zinc/14/72/65/543147265.db2.gz QEMIDYGDQUOQHU-KKUMJFAQSA-N 2 1 254.462 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)C(C)(C)C)C[C@@H]1C ZINC000670264906 543147267 /nfs/dbraw/zinc/14/72/67/543147267.db2.gz QEMIDYGDQUOQHU-KKUMJFAQSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000671753808 543185622 /nfs/dbraw/zinc/18/56/22/543185622.db2.gz UKDRBNMENOZUEU-BRWVUGGUSA-N 2 1 266.473 3.379 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916269 397609964 /nfs/dbraw/zinc/60/99/64/397609964.db2.gz AQIVOTDAHBWTMS-ROUUACIJSA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)C[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301622683 397674764 /nfs/dbraw/zinc/67/47/64/397674764.db2.gz DZLWTAWXMMFTSV-UHFFFAOYSA-N 2 1 287.382 3.152 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC2CCC1CC2 ZINC000392260351 397693097 /nfs/dbraw/zinc/69/30/97/397693097.db2.gz PSSNDIWDQFQIPL-VFNXUKNFSA-N 2 1 262.441 3.053 20 0 CGADMP CC[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000650709308 397898061 /nfs/dbraw/zinc/89/80/61/397898061.db2.gz QEJHFZFBKHQKBG-NJAFHUGGSA-N 2 1 272.436 3.241 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1F ZINC000650712198 397899430 /nfs/dbraw/zinc/89/94/30/397899430.db2.gz WAIFVMOKOARTRA-CZUORRHYSA-N 2 1 294.414 3.174 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C(C)(C)C ZINC000650724438 397902530 /nfs/dbraw/zinc/90/25/30/397902530.db2.gz GGMOLYVGVURHKG-QKPAOTATSA-N 2 1 282.472 3.029 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccccc2F)CCC1)c1c[nH+]ccc1N ZINC000650740298 397904430 /nfs/dbraw/zinc/90/44/30/397904430.db2.gz KIIWDAOLNVWKJR-ZDUSSCGKSA-N 2 1 299.393 3.406 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000675795208 543365944 /nfs/dbraw/zinc/36/59/44/543365944.db2.gz ONTDMESOVRLDDZ-HOTGVXAUSA-N 2 1 263.429 3.386 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000675812133 543366848 /nfs/dbraw/zinc/36/68/48/543366848.db2.gz IKIJSKQXJYYWSO-GOSISDBHSA-N 2 1 287.451 3.387 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000675883210 543370384 /nfs/dbraw/zinc/37/03/84/543370384.db2.gz XZGSVXVDSYCHGD-XJKSGUPXSA-N 2 1 294.464 3.042 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000676644509 543409758 /nfs/dbraw/zinc/40/97/58/543409758.db2.gz WQDGVCPMCZOJNM-NYTNPOERSA-N 2 1 274.383 3.055 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000676901209 543423464 /nfs/dbraw/zinc/42/34/64/543423464.db2.gz UERQBKMQAPJJGC-JYJNAYRXSA-N 2 1 264.457 3.419 20 0 CGADMP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422741312 286014722 /nfs/dbraw/zinc/01/47/22/286014722.db2.gz PLTDFRHYYPBPQY-FGTMMUONSA-N 2 1 282.387 3.109 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2cccnc2)CC1 ZINC000678169381 543490887 /nfs/dbraw/zinc/49/08/87/543490887.db2.gz OJUVOVCXOLXUNI-SFHVURJKSA-N 2 1 287.451 3.135 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678077544 543481712 /nfs/dbraw/zinc/48/17/12/543481712.db2.gz UQZBGHKKPSVCRD-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678077544 543481715 /nfs/dbraw/zinc/48/17/15/543481715.db2.gz UQZBGHKKPSVCRD-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678077544 543481717 /nfs/dbraw/zinc/48/17/17/543481717.db2.gz UQZBGHKKPSVCRD-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2cccnc2)CC1 ZINC000678170949 543490766 /nfs/dbraw/zinc/49/07/66/543490766.db2.gz ZILHXBJSSSGABU-UHFFFAOYSA-N 2 1 298.434 3.246 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nccc3ccccc32)[C@H](C)C1 ZINC000678277857 543509893 /nfs/dbraw/zinc/50/98/93/543509893.db2.gz PKQGLIUHOMFEOI-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nccc3ccccc32)[C@H](C)C1 ZINC000678277857 543509896 /nfs/dbraw/zinc/50/98/96/543509896.db2.gz PKQGLIUHOMFEOI-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nccc3ccccc32)[C@H](C)C1 ZINC000678277857 543509900 /nfs/dbraw/zinc/50/99/00/543509900.db2.gz PKQGLIUHOMFEOI-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP COCCC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000178097743 292382138 /nfs/dbraw/zinc/38/21/38/292382138.db2.gz GMLXPWPKKAIOBD-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccccc1Br ZINC000423277578 286911371 /nfs/dbraw/zinc/91/13/71/286911371.db2.gz PZPPYVJSGLCEBB-BXUZGUMPSA-N 2 1 299.256 3.345 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000247007557 287022862 /nfs/dbraw/zinc/02/28/62/287022862.db2.gz LZFBXDRYMGDZIP-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CC(C)=CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110114 287031933 /nfs/dbraw/zinc/03/19/33/287031933.db2.gz DIRBZKJWEPYLOR-GOSISDBHSA-N 2 1 272.436 3.407 20 0 CGADMP CC(C)=CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110114 287031935 /nfs/dbraw/zinc/03/19/35/287031935.db2.gz DIRBZKJWEPYLOR-GOSISDBHSA-N 2 1 272.436 3.407 20 0 CGADMP CC(C)=CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110114 287031937 /nfs/dbraw/zinc/03/19/37/287031937.db2.gz DIRBZKJWEPYLOR-GOSISDBHSA-N 2 1 272.436 3.407 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000076000908 287030642 /nfs/dbraw/zinc/03/06/42/287030642.db2.gz CCMTVMRRNHDRIY-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358468366 287050380 /nfs/dbraw/zinc/05/03/80/287050380.db2.gz NFUMJABGLCCTJY-YYIAUSFCSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC000081571113 287074322 /nfs/dbraw/zinc/07/43/22/287074322.db2.gz HMKCCZQIAYZRAQ-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000081571113 287074325 /nfs/dbraw/zinc/07/43/25/287074325.db2.gz HMKCCZQIAYZRAQ-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+](CCc1cccs1)CC[C@@H]1CCCC[NH+]1C ZINC000075860648 165102919 /nfs/dbraw/zinc/10/29/19/165102919.db2.gz QNAPRAWNENXBBX-AWEZNQCLSA-N 2 1 266.454 3.097 20 0 CGADMP C[NH+](CCc1cccs1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860648 165102924 /nfs/dbraw/zinc/10/29/24/165102924.db2.gz QNAPRAWNENXBBX-AWEZNQCLSA-N 2 1 266.454 3.097 20 0 CGADMP C[NH+](CCc1cccs1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860648 165102930 /nfs/dbraw/zinc/10/29/30/165102930.db2.gz QNAPRAWNENXBBX-AWEZNQCLSA-N 2 1 266.454 3.097 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426275 165204832 /nfs/dbraw/zinc/20/48/32/165204832.db2.gz MIUAUZHKHOYABL-ZWKOTPCHSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426275 165204833 /nfs/dbraw/zinc/20/48/33/165204833.db2.gz MIUAUZHKHOYABL-ZWKOTPCHSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426275 165204834 /nfs/dbraw/zinc/20/48/34/165204834.db2.gz MIUAUZHKHOYABL-ZWKOTPCHSA-N 2 1 290.426 3.317 20 0 CGADMP CC(C)CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090228238 287100462 /nfs/dbraw/zinc/10/04/62/287100462.db2.gz IOCYKHYDBWBUCA-QLFBSQMISA-N 2 1 254.462 3.377 20 0 CGADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093464313 165330752 /nfs/dbraw/zinc/33/07/52/165330752.db2.gz AZYGUUMKIYQXKT-OBJOEFQTSA-N 2 1 280.387 3.016 20 0 CGADMP COc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683768 165334912 /nfs/dbraw/zinc/33/49/12/165334912.db2.gz GXOMRFMEHXXTDY-MRXNPFEDSA-N 2 1 288.435 3.003 20 0 CGADMP COc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683768 165334915 /nfs/dbraw/zinc/33/49/15/165334915.db2.gz GXOMRFMEHXXTDY-MRXNPFEDSA-N 2 1 288.435 3.003 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522093 165351813 /nfs/dbraw/zinc/35/18/13/165351813.db2.gz OWUUQOGHPLSPLT-GUYCJALGSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522093 165351816 /nfs/dbraw/zinc/35/18/16/165351816.db2.gz OWUUQOGHPLSPLT-GUYCJALGSA-N 2 1 258.409 3.266 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000113516401 287147901 /nfs/dbraw/zinc/14/79/01/287147901.db2.gz GLRAPNGGLRFNON-INIZCTEOSA-N 2 1 298.430 3.102 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000113516401 287147902 /nfs/dbraw/zinc/14/79/02/287147902.db2.gz GLRAPNGGLRFNON-INIZCTEOSA-N 2 1 298.430 3.102 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261548032 287150223 /nfs/dbraw/zinc/15/02/23/287150223.db2.gz IZNBBYNWASVMRF-FZMZJTMJSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261548032 287150227 /nfs/dbraw/zinc/15/02/27/287150227.db2.gz IZNBBYNWASVMRF-FZMZJTMJSA-N 2 1 252.789 3.072 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000120724359 287185959 /nfs/dbraw/zinc/18/59/59/287185959.db2.gz YPNBUYDCZCIOIT-HOTGVXAUSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000120724359 287185963 /nfs/dbraw/zinc/18/59/63/287185963.db2.gz YPNBUYDCZCIOIT-HOTGVXAUSA-N 2 1 263.429 3.482 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000284522707 196077076 /nfs/dbraw/zinc/07/70/76/196077076.db2.gz WRHDSPLDCWAABO-SFHVURJKSA-N 2 1 286.463 3.472 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1F ZINC000020128858 171015965 /nfs/dbraw/zinc/01/59/65/171015965.db2.gz JGGNZHCQKJCIDJ-CQSZACIVSA-N 2 1 294.414 3.361 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337990863 287268816 /nfs/dbraw/zinc/26/88/16/287268816.db2.gz FGNYQPLRIUCYJY-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@@H+](CCOc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000037539180 173259861 /nfs/dbraw/zinc/25/98/61/173259861.db2.gz RYOADPCRMFAYOJ-UHFFFAOYSA-N 2 1 296.842 3.183 20 0 CGADMP CCC[N@@H+](Cc1ccc2ncccc2c1)C1CC[NH2+]CC1 ZINC000037539291 173260163 /nfs/dbraw/zinc/26/01/63/173260163.db2.gz WYBIWQLGABJEMD-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000038098081 174112185 /nfs/dbraw/zinc/11/21/85/174112185.db2.gz MVNKQSGHSSBVMR-UHFFFAOYSA-N 2 1 258.409 3.007 20 0 CGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000040421176 174258118 /nfs/dbraw/zinc/25/81/18/174258118.db2.gz UOFTYPYAYUTTNZ-UHFFFAOYSA-N 2 1 289.448 3.275 20 0 CGADMP CCC[N@@H+](C)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000127544582 287290251 /nfs/dbraw/zinc/29/02/51/287290251.db2.gz RZHLBAGSOMJXLW-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP CCCCOCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000040506002 174301940 /nfs/dbraw/zinc/30/19/40/174301940.db2.gz HAFNGPYCIJVENG-UHFFFAOYSA-N 2 1 290.451 3.057 20 0 CGADMP Cc1cc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000040669922 174368372 /nfs/dbraw/zinc/36/83/72/174368372.db2.gz VNMWAOWJWVHMIK-WBMJQRKESA-N 2 1 276.428 3.016 20 0 CGADMP CC1(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000044371479 175168399 /nfs/dbraw/zinc/16/83/99/175168399.db2.gz IIPVNDWYJNQNOC-MRXNPFEDSA-N 2 1 258.409 3.039 20 0 CGADMP CC[C@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)CC[C@@H]1[NH3+] ZINC000317263217 416539896 /nfs/dbraw/zinc/53/98/96/416539896.db2.gz QQCXQIHNKDDHPA-YOEHRIQHSA-N 2 1 299.418 3.209 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)CC[C@@H]1[NH3+] ZINC000317263217 416539897 /nfs/dbraw/zinc/53/98/97/416539897.db2.gz QQCXQIHNKDDHPA-YOEHRIQHSA-N 2 1 299.418 3.209 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)[C@H]1CC[NH3+] ZINC000404291860 416552138 /nfs/dbraw/zinc/55/21/38/416552138.db2.gz LMSAZWNOVNYGET-JQWIXIFHSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)[C@H]1CC[NH3+] ZINC000404291860 416552140 /nfs/dbraw/zinc/55/21/40/416552140.db2.gz LMSAZWNOVNYGET-JQWIXIFHSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)[C@@H]1CC[NH3+] ZINC000404330065 416552404 /nfs/dbraw/zinc/55/24/04/416552404.db2.gz YLUOAALQVXZPRI-SWLSCSKDSA-N 2 1 298.377 3.237 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000122344836 416503723 /nfs/dbraw/zinc/50/37/23/416503723.db2.gz BHJYPNVJEQLRNY-NVXWUHKLSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(s1)CCCC2 ZINC000129789544 287339299 /nfs/dbraw/zinc/33/92/99/287339299.db2.gz RNITVEMUFAVDHQ-LBPRGKRZSA-N 2 1 278.465 3.372 20 0 CGADMP C[C@H]1C[C@H](NCc2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000130448975 287355820 /nfs/dbraw/zinc/35/58/20/287355820.db2.gz FXWPUDHEJJAVHR-JQWIXIFHSA-N 2 1 282.790 3.194 20 0 CGADMP C[C@H]1C[C@H](NCc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000130448975 287355824 /nfs/dbraw/zinc/35/58/24/287355824.db2.gz FXWPUDHEJJAVHR-JQWIXIFHSA-N 2 1 282.790 3.194 20 0 CGADMP C[C@@H](Cc1ccccc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680368906 543705242 /nfs/dbraw/zinc/70/52/42/543705242.db2.gz QWUBKVVFXUOPTH-PKOBYXMFSA-N 2 1 286.463 3.425 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000130817526 287364297 /nfs/dbraw/zinc/36/42/97/287364297.db2.gz DGUTWAHDQMYMDM-RDJZCZTQSA-N 2 1 290.451 3.151 20 0 CGADMP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000130817526 287364300 /nfs/dbraw/zinc/36/43/00/287364300.db2.gz DGUTWAHDQMYMDM-RDJZCZTQSA-N 2 1 290.451 3.151 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000131542348 287383222 /nfs/dbraw/zinc/38/32/22/287383222.db2.gz WVSVKUSZQPGDBT-RYUDHWBXSA-N 2 1 266.454 3.357 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000131542348 287383224 /nfs/dbraw/zinc/38/32/24/287383224.db2.gz WVSVKUSZQPGDBT-RYUDHWBXSA-N 2 1 266.454 3.357 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOC2CCCCCC2)[C@H](C)C1 ZINC000131563305 287383562 /nfs/dbraw/zinc/38/35/62/287383562.db2.gz UQEHNINKMWOMLW-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000683108885 543895297 /nfs/dbraw/zinc/89/52/97/543895297.db2.gz AEOFSGSPVRXWGU-RDJZCZTQSA-N 2 1 287.451 3.276 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2(C)CCCC2)cc1 ZINC000683847972 543948346 /nfs/dbraw/zinc/94/83/46/543948346.db2.gz WGJKKNPVSUXEMD-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000683889041 543950575 /nfs/dbraw/zinc/95/05/75/543950575.db2.gz TYOXVEVLWITVAI-KBPBESRZSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000683889041 543950577 /nfs/dbraw/zinc/95/05/77/543950577.db2.gz TYOXVEVLWITVAI-KBPBESRZSA-N 2 1 293.480 3.194 20 0 CGADMP CC1=C(C)C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000684614452 544019992 /nfs/dbraw/zinc/01/99/92/544019992.db2.gz NSOOCZQVKGKEIV-UHFFFAOYSA-N 2 1 288.435 3.169 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000684411345 543995377 /nfs/dbraw/zinc/99/53/77/543995377.db2.gz UGMMWHIXUFPXOJ-ZIAGYGMSSA-N 2 1 268.470 3.389 20 0 CGADMP c1c2ccccc2[nH]c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684425728 543998569 /nfs/dbraw/zinc/99/85/69/543998569.db2.gz MGAPSUVNVQIOFP-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000685470471 544077963 /nfs/dbraw/zinc/07/79/63/544077963.db2.gz SURZNAWGKGEFMJ-DDBAPUKQSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000685470471 544077964 /nfs/dbraw/zinc/07/79/64/544077964.db2.gz SURZNAWGKGEFMJ-DDBAPUKQSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000685470471 544077966 /nfs/dbraw/zinc/07/79/66/544077966.db2.gz SURZNAWGKGEFMJ-DDBAPUKQSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000685470471 544077968 /nfs/dbraw/zinc/07/79/68/544077968.db2.gz SURZNAWGKGEFMJ-DDBAPUKQSA-N 2 1 272.436 3.062 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000685662241 544093438 /nfs/dbraw/zinc/09/34/38/544093438.db2.gz WXZGXQQWBYJBDZ-MXSMSXNCSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000685662241 544093442 /nfs/dbraw/zinc/09/34/42/544093442.db2.gz WXZGXQQWBYJBDZ-MXSMSXNCSA-N 2 1 274.452 3.497 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000685657948 544093585 /nfs/dbraw/zinc/09/35/85/544093585.db2.gz VIAJOQYUTGHEHZ-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000685657948 544093589 /nfs/dbraw/zinc/09/35/89/544093589.db2.gz VIAJOQYUTGHEHZ-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2Cc3ccccc3C2)C1 ZINC000685839453 544100617 /nfs/dbraw/zinc/10/06/17/544100617.db2.gz KOJONYFXIUWSKW-KRWDZBQOSA-N 2 1 298.474 3.065 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000685839453 544100622 /nfs/dbraw/zinc/10/06/22/544100622.db2.gz KOJONYFXIUWSKW-KRWDZBQOSA-N 2 1 298.474 3.065 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685839453 544100625 /nfs/dbraw/zinc/10/06/25/544100625.db2.gz KOJONYFXIUWSKW-KRWDZBQOSA-N 2 1 298.474 3.065 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000367185531 227188892 /nfs/dbraw/zinc/18/88/92/227188892.db2.gz JEWZDAGKCFOVFK-BHADISHBSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000367185531 227188896 /nfs/dbraw/zinc/18/88/96/227188896.db2.gz JEWZDAGKCFOVFK-BHADISHBSA-N 2 1 294.389 3.283 20 0 CGADMP CC[N@@H+](CCCN[C@@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000650741305 418936019 /nfs/dbraw/zinc/93/60/19/418936019.db2.gz APQVHZDSPKYSJN-FUHWJXTLSA-N 2 1 295.515 3.138 20 0 CGADMP CC[N@H+](CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000650741305 418936022 /nfs/dbraw/zinc/93/60/22/418936022.db2.gz APQVHZDSPKYSJN-FUHWJXTLSA-N 3 1 295.515 3.138 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000650741305 418936025 /nfs/dbraw/zinc/93/60/25/418936025.db2.gz APQVHZDSPKYSJN-FUHWJXTLSA-N 3 1 295.515 3.138 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)s1 ZINC000652222021 418937096 /nfs/dbraw/zinc/93/70/96/418937096.db2.gz CRLDATVGVUJVKX-GFCCVEGCSA-N 2 1 283.485 3.388 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)s1 ZINC000652222021 418937098 /nfs/dbraw/zinc/93/70/98/418937098.db2.gz CRLDATVGVUJVKX-GFCCVEGCSA-N 2 1 283.485 3.388 20 0 CGADMP Cc1cc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc[nH+]1 ZINC000664364471 418943689 /nfs/dbraw/zinc/94/36/89/418943689.db2.gz QXALZIXWNXQLNP-LJQANCHMSA-N 2 1 295.430 3.143 20 0 CGADMP C(C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000652344277 418956555 /nfs/dbraw/zinc/95/65/55/418956555.db2.gz DPSRYGITSJIYSV-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000652343519 418956881 /nfs/dbraw/zinc/95/68/81/418956881.db2.gz PMSYWVYGOKPYJV-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652364339 418958439 /nfs/dbraw/zinc/95/84/39/418958439.db2.gz IMEDMYHYHXZZKP-HUUCEWRRSA-N 2 1 290.426 3.177 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCOc1ccccc1 ZINC000653279961 419023095 /nfs/dbraw/zinc/02/30/95/419023095.db2.gz PHMYBRPIILZKGT-HZPDHXFCSA-N 2 1 276.424 3.047 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659876770 419026007 /nfs/dbraw/zinc/02/60/07/419026007.db2.gz OFMPRFBDPFTVKW-BJWYYQGGSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2)CC[N@H+]1C ZINC000653464649 419030611 /nfs/dbraw/zinc/03/06/11/419030611.db2.gz FVGUYJFOORVPMR-LRDDRELGSA-N 2 1 255.365 3.129 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2c(F)cccc2F)C1 ZINC000653565597 419050400 /nfs/dbraw/zinc/05/04/00/419050400.db2.gz UYWBJKNOYUZNGM-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2c(F)cccc2F)C1 ZINC000653565597 419050401 /nfs/dbraw/zinc/05/04/01/419050401.db2.gz UYWBJKNOYUZNGM-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000653565597 419050404 /nfs/dbraw/zinc/05/04/04/419050404.db2.gz UYWBJKNOYUZNGM-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000653565597 419050407 /nfs/dbraw/zinc/05/04/07/419050407.db2.gz UYWBJKNOYUZNGM-AWEZNQCLSA-N 2 1 296.405 3.171 20 0 CGADMP CSc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000659947739 419041645 /nfs/dbraw/zinc/04/16/45/419041645.db2.gz MRBTZFFSKPWUGI-INIZCTEOSA-N 2 1 290.476 3.326 20 0 CGADMP CSc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000659947739 419041649 /nfs/dbraw/zinc/04/16/49/419041649.db2.gz MRBTZFFSKPWUGI-INIZCTEOSA-N 2 1 290.476 3.326 20 0 CGADMP CCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000655755332 419087679 /nfs/dbraw/zinc/08/76/79/419087679.db2.gz YPIXLWVOVZBOOU-KRWDZBQOSA-N 2 1 294.483 3.190 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237438 419088744 /nfs/dbraw/zinc/08/87/44/419088744.db2.gz AUTSWJKFUOVVCM-LSDHHAIUSA-N 2 1 272.417 3.385 20 0 CGADMP C[N@H+]1CCCC12CCN(CCCC1CCC1)CC2 ZINC000660167330 419092014 /nfs/dbraw/zinc/09/20/14/419092014.db2.gz PFBFHTGUFYDKAD-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CCCC1CCC1)CC2 ZINC000660167330 419092019 /nfs/dbraw/zinc/09/20/19/419092019.db2.gz PFBFHTGUFYDKAD-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CCCC1CCC1)CC2 ZINC000660167330 419092020 /nfs/dbraw/zinc/09/20/20/419092020.db2.gz PFBFHTGUFYDKAD-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655770412 419092265 /nfs/dbraw/zinc/09/22/65/419092265.db2.gz JUOWUFJLYZESFL-BQFCYCMXSA-N 2 1 294.483 3.188 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249099 419092413 /nfs/dbraw/zinc/09/24/13/419092413.db2.gz JSPXWZOHQSDQRF-ZDUSSCGKSA-N 2 1 262.397 3.007 20 0 CGADMP CC[C@H](CC(F)F)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000660166732 419092809 /nfs/dbraw/zinc/09/28/09/419092809.db2.gz DYKRJSRUOWCOAN-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000660166732 419092814 /nfs/dbraw/zinc/09/28/14/419092814.db2.gz DYKRJSRUOWCOAN-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CC[C@H](CC(F)F)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000660166732 419092817 /nfs/dbraw/zinc/09/28/17/419092817.db2.gz DYKRJSRUOWCOAN-CYBMUJFWSA-N 2 1 274.399 3.228 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253611 419094234 /nfs/dbraw/zinc/09/42/34/419094234.db2.gz XKLCBFGANAFUKH-DLTLXFJOSA-N 2 1 278.415 3.295 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665278027 419099143 /nfs/dbraw/zinc/09/91/43/419099143.db2.gz STHTVIUYQURSBQ-ARWYELJZSA-N 2 1 258.409 3.115 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](CC)CC(F)F)C1 ZINC000659982730 419052037 /nfs/dbraw/zinc/05/20/37/419052037.db2.gz VQAQRMCJLVODTC-UONOGXRCSA-N 2 1 276.415 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](CC)CC(F)F)C1 ZINC000659982730 419052040 /nfs/dbraw/zinc/05/20/40/419052040.db2.gz VQAQRMCJLVODTC-UONOGXRCSA-N 2 1 276.415 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000659982730 419052041 /nfs/dbraw/zinc/05/20/41/419052041.db2.gz VQAQRMCJLVODTC-UONOGXRCSA-N 2 1 276.415 3.332 20 0 CGADMP C1=C(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000655679854 419063102 /nfs/dbraw/zinc/06/31/02/419063102.db2.gz GFXINNHNXPUVMI-SFHVURJKSA-N 2 1 292.467 3.110 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000653642669 419064510 /nfs/dbraw/zinc/06/45/10/419064510.db2.gz OZTXJKGCNMDYFY-UHFFFAOYSA-N 2 1 295.789 3.277 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000653642669 419064512 /nfs/dbraw/zinc/06/45/12/419064512.db2.gz OZTXJKGCNMDYFY-UHFFFAOYSA-N 2 1 295.789 3.277 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CS1 ZINC000655690320 419065972 /nfs/dbraw/zinc/06/59/72/419065972.db2.gz LTWYVRYDFVDTQU-UONOGXRCSA-N 2 1 270.486 3.125 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000660082974 419072579 /nfs/dbraw/zinc/07/25/79/419072579.db2.gz PLIHCTSPTIQOCF-MJBXVCDLSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000660082974 419072583 /nfs/dbraw/zinc/07/25/83/419072583.db2.gz PLIHCTSPTIQOCF-MJBXVCDLSA-N 2 1 276.415 3.330 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000660082974 419072587 /nfs/dbraw/zinc/07/25/87/419072587.db2.gz PLIHCTSPTIQOCF-MJBXVCDLSA-N 2 1 276.415 3.330 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000655715568 419073886 /nfs/dbraw/zinc/07/38/86/419073886.db2.gz LHKNZJRQEUGSHV-XIRDDKMYSA-N 2 1 272.436 3.363 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000655715568 419073891 /nfs/dbraw/zinc/07/38/91/419073891.db2.gz LHKNZJRQEUGSHV-XIRDDKMYSA-N 2 1 272.436 3.363 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655943607 419129020 /nfs/dbraw/zinc/12/90/20/419129020.db2.gz RMDAGYCDMLMTBI-ARWYELJZSA-N 2 1 258.409 3.341 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C1 ZINC000656197390 419148144 /nfs/dbraw/zinc/14/81/44/419148144.db2.gz FQXLOWWKNBJMRU-WDEREUQCSA-N 2 1 295.839 3.309 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC000656200573 419149974 /nfs/dbraw/zinc/14/99/74/419149974.db2.gz RSMLIGSCGJQJHW-RYUDHWBXSA-N 2 1 264.800 3.189 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000660659813 419176173 /nfs/dbraw/zinc/17/61/73/419176173.db2.gz ROCPVQKNSPCIOJ-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000660659813 419176175 /nfs/dbraw/zinc/17/61/75/419176175.db2.gz ROCPVQKNSPCIOJ-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000660659813 419176177 /nfs/dbraw/zinc/17/61/77/419176177.db2.gz ROCPVQKNSPCIOJ-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000660659813 419176179 /nfs/dbraw/zinc/17/61/79/419176179.db2.gz ROCPVQKNSPCIOJ-ROUUACIJSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCc1cccc(F)c1)C2 ZINC000660662016 419180221 /nfs/dbraw/zinc/18/02/21/419180221.db2.gz GVDZEDINLVAJQM-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCc1cccc(F)c1)C2 ZINC000660662016 419180223 /nfs/dbraw/zinc/18/02/23/419180223.db2.gz GVDZEDINLVAJQM-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCc1cccc(F)c1)C2 ZINC000660662016 419180226 /nfs/dbraw/zinc/18/02/26/419180226.db2.gz GVDZEDINLVAJQM-SFHVURJKSA-N 2 1 290.426 3.176 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC000660665517 419180247 /nfs/dbraw/zinc/18/02/47/419180247.db2.gz WLYXUNLNIZDHOR-OAHLLOKOSA-N 2 1 286.410 3.230 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC1(C)C ZINC000666090016 419188762 /nfs/dbraw/zinc/18/87/62/419188762.db2.gz HDQODRGWWGOFPF-BBWFWOEESA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](CCCc1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655938179 419128568 /nfs/dbraw/zinc/12/85/68/419128568.db2.gz OMIANRVODBYPGY-PBWFPOADSA-N 2 1 294.389 3.112 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000657335456 419253899 /nfs/dbraw/zinc/25/38/99/419253899.db2.gz QQMBZFVGSZIQGY-INIZCTEOSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)c(F)c1F ZINC000657346560 419256877 /nfs/dbraw/zinc/25/68/77/419256877.db2.gz GOOYNBAAJYKLMN-JTQLQIEISA-N 2 1 297.324 3.035 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1F ZINC000656787011 419219340 /nfs/dbraw/zinc/21/93/40/419219340.db2.gz ZLGQKGNCPKUZHQ-KRWDZBQOSA-N 2 1 290.426 3.346 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCCC1 ZINC000656788084 419219672 /nfs/dbraw/zinc/21/96/72/419219672.db2.gz ATICQLGBANTKGV-UHFFFAOYSA-N 2 1 272.314 3.067 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(C2CCCC2)c1)C1CC1 ZINC000656787244 419219820 /nfs/dbraw/zinc/21/98/20/419219820.db2.gz VDNROTZBCBMOHE-KRWDZBQOSA-N 2 1 258.409 3.171 20 0 CGADMP Cc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1C(F)(F)F ZINC000656789474 419220367 /nfs/dbraw/zinc/22/03/67/419220367.db2.gz OMWIJHKOSHDOQH-UHFFFAOYSA-N 2 1 286.341 3.375 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000657182604 419229820 /nfs/dbraw/zinc/22/98/20/419229820.db2.gz BFSNIZKDQOYZGE-RISCZKNCSA-N 2 1 281.469 3.142 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838498 419303091 /nfs/dbraw/zinc/30/30/91/419303091.db2.gz GFLFXOIAXVRIJQ-BZUAXINKSA-N 2 1 294.483 3.187 20 0 CGADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657716776 419332363 /nfs/dbraw/zinc/33/23/63/419332363.db2.gz STAJCDXOYOQIEU-XMTFNYHQSA-N 2 1 270.420 3.149 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751932 419336876 /nfs/dbraw/zinc/33/68/76/419336876.db2.gz WIPYXCYMBOQBJP-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CCCCC[C@@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662319006 419389182 /nfs/dbraw/zinc/38/91/82/419389182.db2.gz IVWRDVWFGWAXBK-CYBMUJFWSA-N 2 1 294.443 3.198 20 0 CGADMP CCCCC[C@@H]1CCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662319006 419389187 /nfs/dbraw/zinc/38/91/87/419389187.db2.gz IVWRDVWFGWAXBK-CYBMUJFWSA-N 2 1 294.443 3.198 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC2CC1(c1ccccc1)C2 ZINC000662331589 419393574 /nfs/dbraw/zinc/39/35/74/419393574.db2.gz NYRAUHNIGGEWSP-NXYGQSRBSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331589 419393579 /nfs/dbraw/zinc/39/35/79/419393579.db2.gz NYRAUHNIGGEWSP-NXYGQSRBSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331589 419393583 /nfs/dbraw/zinc/39/35/83/419393583.db2.gz NYRAUHNIGGEWSP-NXYGQSRBSA-N 2 1 270.420 3.092 20 0 CGADMP CCOC1CCC([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000657818529 419367830 /nfs/dbraw/zinc/36/78/30/419367830.db2.gz BXASEGBGBBQEST-UHFFFAOYSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662246183 419373253 /nfs/dbraw/zinc/37/32/53/419373253.db2.gz PGPBJCTYDSGZOI-SOUVJXGZSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCC1 ZINC000662254830 419373756 /nfs/dbraw/zinc/37/37/56/419373756.db2.gz AROWAJWTBCNZOW-UHFFFAOYSA-N 2 1 258.409 3.095 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+]1CCCC1 ZINC000657834057 419378669 /nfs/dbraw/zinc/37/86/69/419378669.db2.gz YWYJNDSIUNSIMR-NEPJUHHUSA-N 2 1 262.388 3.130 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272013 419380350 /nfs/dbraw/zinc/38/03/50/419380350.db2.gz BFUMZWQYEKILCK-KFWWJZLASA-N 2 1 288.426 3.379 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCSc1ccc(F)cc1F ZINC000662275591 419381239 /nfs/dbraw/zinc/38/12/39/419381239.db2.gz CJADWUUSZMTNDW-ZDUSSCGKSA-N 2 1 288.407 3.020 20 0 CGADMP FC1(F)CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662277519 419382914 /nfs/dbraw/zinc/38/29/14/419382914.db2.gz VOBFUMFVHAQLQM-RRFJBIMHSA-N 2 1 286.410 3.276 20 0 CGADMP CCOC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000657845583 419386362 /nfs/dbraw/zinc/38/63/62/419386362.db2.gz SDDMDKGOEASULK-AQEOSJORSA-N 2 1 296.499 3.434 20 0 CGADMP C(C[N@H+]1CC[C@@H](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662306003 419386817 /nfs/dbraw/zinc/38/68/17/419386817.db2.gz NFSFZJXDXHDLAM-QGZVFWFLSA-N 2 1 264.457 3.278 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663344131 419565303 /nfs/dbraw/zinc/56/53/03/419565303.db2.gz OQXBNZYEHPNAES-HNNXBMFYSA-N 2 1 278.465 3.268 20 0 CGADMP C([NH2+]C1CCCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346972 419565505 /nfs/dbraw/zinc/56/55/05/419565505.db2.gz DMHMXGAPSFDLNQ-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP CCC(CC)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347497 419566253 /nfs/dbraw/zinc/56/62/53/419566253.db2.gz MDZVBZRPAVXEEQ-MRXNPFEDSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000658036844 419515458 /nfs/dbraw/zinc/51/54/58/419515458.db2.gz ZCBVANWKYNJBCO-KBPBESRZSA-N 2 1 287.407 3.210 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)CC)[C@@H](C)C1 ZINC000658120881 419599357 /nfs/dbraw/zinc/59/93/57/419599357.db2.gz MKBXVCVAHJRLCP-ULQDDVLXSA-N 2 1 284.488 3.149 20 0 CGADMP FCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465207 419616503 /nfs/dbraw/zinc/61/65/03/419616503.db2.gz IQCIYYKLEUQKKO-IXDOHACOSA-N 2 1 282.447 3.226 20 0 CGADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663471304 419626256 /nfs/dbraw/zinc/62/62/56/419626256.db2.gz XKFOTGHXCAEYSA-HOTGVXAUSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227462 419687919 /nfs/dbraw/zinc/68/79/19/419687919.db2.gz BMDQFKRMWHBWPD-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227462 419687926 /nfs/dbraw/zinc/68/79/26/419687926.db2.gz BMDQFKRMWHBWPD-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000658263485 419718555 /nfs/dbraw/zinc/71/85/55/419718555.db2.gz KGHFZOFPJPIVQV-XLNGHYISSA-N 2 1 258.409 3.005 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000658263485 419718560 /nfs/dbraw/zinc/71/85/60/419718560.db2.gz KGHFZOFPJPIVQV-XLNGHYISSA-N 2 1 258.409 3.005 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CCC3(CC3(F)F)CC2)CC1 ZINC000658265261 419719959 /nfs/dbraw/zinc/71/99/59/419719959.db2.gz RAGGBFXQUBQIIB-UHFFFAOYSA-N 2 1 272.383 3.028 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(Cl)c(C)c2)C1 ZINC000180448950 260102399 /nfs/dbraw/zinc/10/23/99/260102399.db2.gz YUSWRPCCKSQZGO-HNNXBMFYSA-N 2 1 280.843 3.422 20 0 CGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC4CCC4)C[C@H]3C2)cc1 ZINC000390795035 262346575 /nfs/dbraw/zinc/34/65/75/262346575.db2.gz IOGGTEPNCBMXEJ-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC000390795035 262346576 /nfs/dbraw/zinc/34/65/76/262346576.db2.gz IOGGTEPNCBMXEJ-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC000390795035 262346577 /nfs/dbraw/zinc/34/65/77/262346577.db2.gz IOGGTEPNCBMXEJ-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000320011852 262383181 /nfs/dbraw/zinc/38/31/81/262383181.db2.gz GMLSMRWGBRPWMA-AUUYWEPGSA-N 2 1 298.430 3.265 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533785 270036050 /nfs/dbraw/zinc/03/60/50/270036050.db2.gz HGNABTTUYJSSMH-GJZGRUSLSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000044534632 270036176 /nfs/dbraw/zinc/03/61/76/270036176.db2.gz ADBPFJUGUNAKMW-OLZOCXBDSA-N 2 1 298.377 3.280 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)F ZINC000044534632 270036178 /nfs/dbraw/zinc/03/61/78/270036178.db2.gz ADBPFJUGUNAKMW-OLZOCXBDSA-N 2 1 298.377 3.280 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533789 270036558 /nfs/dbraw/zinc/03/65/58/270036558.db2.gz HGNABTTUYJSSMH-LSDHHAIUSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000105480817 270047563 /nfs/dbraw/zinc/04/75/63/270047563.db2.gz JDTBKFNTSCXPBX-KSSFIOAISA-N 2 1 268.404 3.270 20 0 CGADMP Fc1cccc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000182805771 270054434 /nfs/dbraw/zinc/05/44/34/270054434.db2.gz HDHFYKPEASGNES-KRWDZBQOSA-N 2 1 290.426 3.176 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC2=CCCCCC2)CC[N@H+]1C ZINC000184576808 270059193 /nfs/dbraw/zinc/05/91/93/270059193.db2.gz HBJSNRPQUGEZPX-GOEBONIOSA-N 2 1 250.430 3.339 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000191779910 270076162 /nfs/dbraw/zinc/07/61/62/270076162.db2.gz AHWBMFSWIYJADJ-QGZVFWFLSA-N 2 1 290.451 3.216 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000237547956 270090646 /nfs/dbraw/zinc/09/06/46/270090646.db2.gz CPGQEMIVTXQYCV-MCIONIFRSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000322480434 270093731 /nfs/dbraw/zinc/09/37/31/270093731.db2.gz SYAHMOONWMINSK-JYJNAYRXSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322849979 270094261 /nfs/dbraw/zinc/09/42/61/270094261.db2.gz OUUICVVXEMDVPM-GNLMYTDNSA-N 2 1 250.430 3.026 20 0 CGADMP CCc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)cc[nH+]1 ZINC000519801648 270097903 /nfs/dbraw/zinc/09/79/03/270097903.db2.gz YRZDVHXHRLVTSR-UHFFFAOYSA-N 2 1 275.440 3.201 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2(F)CC2)C1 ZINC000525977516 270121491 /nfs/dbraw/zinc/12/14/91/270121491.db2.gz PFQROWIMLGVNBB-GJZGRUSLSA-N 2 1 268.420 3.075 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000527876392 270141405 /nfs/dbraw/zinc/14/14/05/270141405.db2.gz MYJCDLBLWBGIRL-GOSISDBHSA-N 2 1 272.436 3.249 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527855916 270139870 /nfs/dbraw/zinc/13/98/70/270139870.db2.gz XBDKFFDBNUHQTK-QLFBSQMISA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527855916 270139871 /nfs/dbraw/zinc/13/98/71/270139871.db2.gz XBDKFFDBNUHQTK-QLFBSQMISA-N 2 1 264.457 3.275 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000529566768 270185355 /nfs/dbraw/zinc/18/53/55/270185355.db2.gz GLWHEQMABODKHF-SFHVURJKSA-N 2 1 297.446 3.332 20 0 CGADMP CC(C)([NH2+]C[C@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000530223578 270196391 /nfs/dbraw/zinc/19/63/91/270196391.db2.gz NSRIEWVMQPMIPX-LBPRGKRZSA-N 2 1 289.448 3.121 20 0 CGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000530232102 270196902 /nfs/dbraw/zinc/19/69/02/270196902.db2.gz NDZOWUZBBZGCEQ-YOEHRIQHSA-N 2 1 290.426 3.393 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000530242742 270197304 /nfs/dbraw/zinc/19/73/04/270197304.db2.gz CXFSDMIHMRMDIP-UKRRQHHQSA-N 2 1 266.816 3.290 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530355028 270199372 /nfs/dbraw/zinc/19/93/72/270199372.db2.gz VROCAWOXRRAOEA-CYBMUJFWSA-N 2 1 289.448 3.425 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000530460269 270200012 /nfs/dbraw/zinc/20/00/12/270200012.db2.gz FVRLMRXPCZTYRS-KRWDZBQOSA-N 2 1 285.435 3.354 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000531932289 270210871 /nfs/dbraw/zinc/21/08/71/270210871.db2.gz ZXYVZTPMJXHCHW-YJBOKZPZSA-N 2 1 274.452 3.282 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072640 270221371 /nfs/dbraw/zinc/22/13/71/270221371.db2.gz RVKUXSLLSBVMPS-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072640 270221372 /nfs/dbraw/zinc/22/13/72/270221372.db2.gz RVKUXSLLSBVMPS-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072640 270221373 /nfs/dbraw/zinc/22/13/73/270221373.db2.gz RVKUXSLLSBVMPS-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)CCC2 ZINC000423507410 274138617 /nfs/dbraw/zinc/13/86/17/274138617.db2.gz INADSVZNAVUXFR-QZTJIDSGSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000261559545 274237154 /nfs/dbraw/zinc/23/71/54/274237154.db2.gz DRSOZXUJUWDONS-BBBLOLIVSA-N 2 1 260.303 3.092 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)[C@@H](C)C2 ZINC000180029210 274773468 /nfs/dbraw/zinc/77/34/68/274773468.db2.gz BQQKGTTZRRBQPO-LIRRHRJNSA-N 2 1 284.447 3.445 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262541287 275068976 /nfs/dbraw/zinc/06/89/76/275068976.db2.gz RCXDDGIBKBMZCC-KUHUBIRLSA-N 2 1 290.410 3.440 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(O)c1 ZINC000249369052 287812019 /nfs/dbraw/zinc/81/20/19/287812019.db2.gz APQBUXQSYSWRDO-BZUAXINKSA-N 2 1 290.451 3.411 20 0 CGADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@H]1C1CC1 ZINC000414207651 275394649 /nfs/dbraw/zinc/39/46/49/275394649.db2.gz ZPVQHJKICCPWLN-YOEHRIQHSA-N 2 1 262.441 3.029 20 0 CGADMP CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248612515 276094972 /nfs/dbraw/zinc/09/49/72/276094972.db2.gz IPANNRDBMFBGAW-PIXXYMSQSA-N 2 1 262.441 3.291 20 0 CGADMP CC/C=C/CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248612515 276094973 /nfs/dbraw/zinc/09/49/73/276094973.db2.gz IPANNRDBMFBGAW-PIXXYMSQSA-N 2 1 262.441 3.291 20 0 CGADMP CC/C=C/CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248612515 276094974 /nfs/dbraw/zinc/09/49/74/276094974.db2.gz IPANNRDBMFBGAW-PIXXYMSQSA-N 2 1 262.441 3.291 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000423381160 276106685 /nfs/dbraw/zinc/10/66/85/276106685.db2.gz HTJFEMVHCBSERU-UONOGXRCSA-N 2 1 250.430 3.077 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000481991599 276229468 /nfs/dbraw/zinc/22/94/68/276229468.db2.gz MDECSVWPUZIRSE-QEOTZNIISA-N 2 1 266.473 3.379 20 0 CGADMP CCCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420328565 276233703 /nfs/dbraw/zinc/23/37/03/276233703.db2.gz ZYWCSUJBALURSH-HNNXBMFYSA-N 2 1 276.424 3.002 20 0 CGADMP CCCC[C@H](CCC)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484839404 276242410 /nfs/dbraw/zinc/24/24/10/276242410.db2.gz YOOCSTOBGSZUMG-WNRNVDISSA-N 2 1 296.499 3.340 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414824298 276266616 /nfs/dbraw/zinc/26/66/16/276266616.db2.gz JZSPSBZNVCEGOW-DLBZAZTESA-N 2 1 260.425 3.302 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000514081488 276324487 /nfs/dbraw/zinc/32/44/87/276324487.db2.gz BPMULURURKYEFF-SFHVURJKSA-N 2 1 289.467 3.295 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000514081488 276324489 /nfs/dbraw/zinc/32/44/89/276324489.db2.gz BPMULURURKYEFF-SFHVURJKSA-N 2 1 289.467 3.295 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCCC1 ZINC000337991184 276770975 /nfs/dbraw/zinc/77/09/75/276770975.db2.gz VBWXZKSIHAVKST-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(C2CCC2)CCC1 ZINC000453581878 276809023 /nfs/dbraw/zinc/80/90/23/276809023.db2.gz IHAROGUTUHEHMI-UHFFFAOYSA-N 2 1 273.424 3.208 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000414489922 276892239 /nfs/dbraw/zinc/89/22/39/276892239.db2.gz WLAZMCXNHGXHJC-ZBFHGGJFSA-N 2 1 273.424 3.064 20 0 CGADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000349194152 277034719 /nfs/dbraw/zinc/03/47/19/277034719.db2.gz RFICZPLGTPMYHX-WBVHZDCISA-N 2 1 262.441 3.006 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)[C@H]2CCC[C@@H]21 ZINC000513691197 277171333 /nfs/dbraw/zinc/17/13/33/277171333.db2.gz SLHWCPVSCNDXDX-RDBSUJKOSA-N 2 1 298.883 3.406 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000353623866 277172816 /nfs/dbraw/zinc/17/28/16/277172816.db2.gz SGUZOKVORYBQOX-RFGFWPKPSA-N 2 1 272.383 3.027 20 0 CGADMP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353676765 277192838 /nfs/dbraw/zinc/19/28/38/277192838.db2.gz WKNJZWWJCZHDEF-YXYCDRMUSA-N 2 1 294.483 3.044 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415130984 277267494 /nfs/dbraw/zinc/26/74/94/277267494.db2.gz YGJRYTPREZFDOC-DLBZAZTESA-N 2 1 260.425 3.038 20 0 CGADMP CC(C)(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000328458518 277297525 /nfs/dbraw/zinc/29/75/25/277297525.db2.gz SSCCYYOUHOOCNF-HUUCEWRRSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H](C)C[NH3+])cc1 ZINC000414932068 277702180 /nfs/dbraw/zinc/70/21/80/277702180.db2.gz SFWJWNCIRCSPJO-XOKHGSTOSA-N 2 1 276.424 3.047 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCC3CCCCC3)C[C@H]12 ZINC000395105048 288005646 /nfs/dbraw/zinc/00/56/46/288005646.db2.gz KPFSTGGUXXRNCQ-OWCLPIDISA-N 2 1 250.430 3.016 20 0 CGADMP C[N@@H+](CCC[NH2+]C1CC(C)(C)C1)C1CCCCC1 ZINC000395303350 288007819 /nfs/dbraw/zinc/00/78/19/288007819.db2.gz SHPHJQYZQQLYMY-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000453266492 278127247 /nfs/dbraw/zinc/12/72/47/278127247.db2.gz FPHWIPHGMGLTQQ-IRKLFDGPSA-N 2 1 296.524 3.371 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000396713142 288015807 /nfs/dbraw/zinc/01/58/07/288015807.db2.gz MZBBZYNRLXIHFE-AGERRDQYSA-N 2 1 272.436 3.443 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1COC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000396853018 288017070 /nfs/dbraw/zinc/01/70/70/288017070.db2.gz NCZOOKVBLLKSCR-WBVHZDCISA-N 2 1 290.451 3.054 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000397305235 288022525 /nfs/dbraw/zinc/02/25/25/288022525.db2.gz MGSWLPIRSAXRBO-MXWKQRLJSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000397305235 288022527 /nfs/dbraw/zinc/02/25/27/288022527.db2.gz MGSWLPIRSAXRBO-MXWKQRLJSA-N 2 1 272.845 3.207 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[NH+]1CCCC1 ZINC000397753903 288029459 /nfs/dbraw/zinc/02/94/59/288029459.db2.gz PZWYLKCYCTUZAF-KKUMJFAQSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCOC1 ZINC000481041922 288036472 /nfs/dbraw/zinc/03/64/72/288036472.db2.gz BJHQRXQFCNOFAD-VQHPVUNQSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000422910817 278365649 /nfs/dbraw/zinc/36/56/49/278365649.db2.gz JKSHNJXDXSZONH-FRRDWIJNSA-N 2 1 293.480 3.061 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)c2ccccc21 ZINC000423273792 278379566 /nfs/dbraw/zinc/37/95/66/278379566.db2.gz JJVWNKZRCXPLRO-PIGZYNQJSA-N 2 1 272.367 3.367 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1OC(F)F ZINC000423406773 288070558 /nfs/dbraw/zinc/07/05/58/288070558.db2.gz UZACPKHBYRIEPT-KWCYVHTRSA-N 2 1 298.377 3.327 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000422785185 288073802 /nfs/dbraw/zinc/07/38/02/288073802.db2.gz PDTMLBQWSMFIEU-IXDOHACOSA-N 2 1 267.376 3.267 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCOC1 ZINC000358440342 288079839 /nfs/dbraw/zinc/07/98/39/288079839.db2.gz ACMGFIMCFZRIKB-CVYDXHPNSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459385832 288087171 /nfs/dbraw/zinc/08/71/71/288087171.db2.gz GKXNHVQRNICGNA-IVMQYODDSA-N 2 1 286.463 3.428 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000191809120 279094596 /nfs/dbraw/zinc/09/45/96/279094596.db2.gz LGNMUWUJYKMSAC-QGZVFWFLSA-N 2 1 275.440 3.259 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000191809120 279094598 /nfs/dbraw/zinc/09/45/98/279094598.db2.gz LGNMUWUJYKMSAC-QGZVFWFLSA-N 2 1 275.440 3.259 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCC1CC[NH2+]CC1)CCC2 ZINC000359200648 279115996 /nfs/dbraw/zinc/11/59/96/279115996.db2.gz GMVBUJZTUWQYSC-HNNXBMFYSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226126344 279254407 /nfs/dbraw/zinc/25/44/07/279254407.db2.gz BDGFDKBCHMJKFA-AGIUHOORSA-N 2 1 278.362 3.324 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226126344 279254409 /nfs/dbraw/zinc/25/44/09/279254409.db2.gz BDGFDKBCHMJKFA-AGIUHOORSA-N 2 1 278.362 3.324 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000527233002 288158886 /nfs/dbraw/zinc/15/88/86/288158886.db2.gz WQDZBVXNVOCFLK-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C/C(Cl)=C/C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000528460013 288201662 /nfs/dbraw/zinc/20/16/62/288201662.db2.gz QHEWCJWXWUSMCQ-MVXISAMASA-N 2 1 279.815 3.151 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000414768416 280173706 /nfs/dbraw/zinc/17/37/06/280173706.db2.gz VAPPQUXJLDEGAI-CEXWTWQISA-N 2 1 284.447 3.182 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccncc1 ZINC000423262233 280197044 /nfs/dbraw/zinc/19/70/44/280197044.db2.gz MBGFPIDSNRDHOD-HZPDHXFCSA-N 2 1 261.413 3.030 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459571549 280296047 /nfs/dbraw/zinc/29/60/47/280296047.db2.gz GOJITQBSOBRMIC-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252871740 281021795 /nfs/dbraw/zinc/02/17/95/281021795.db2.gz SZIHNFPCEOPYPA-LUKYLMHMSA-N 2 1 258.409 3.197 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268738164 281064309 /nfs/dbraw/zinc/06/43/09/281064309.db2.gz FIGXVCVTWYJLIY-GOSISDBHSA-N 2 1 270.420 3.199 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000251238949 281126518 /nfs/dbraw/zinc/12/65/18/281126518.db2.gz PLGAANOOWHXOSI-XYJFISCASA-N 2 1 270.420 3.199 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000530389593 288303417 /nfs/dbraw/zinc/30/34/17/288303417.db2.gz QWWQRZMZIZXLHO-AWEZNQCLSA-N 2 1 278.465 3.239 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000532442739 288361003 /nfs/dbraw/zinc/36/10/03/288361003.db2.gz IFUJRZAHBRPZIA-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000414690225 282039402 /nfs/dbraw/zinc/03/94/02/282039402.db2.gz HKVWLJMUEBGBKD-NJZAAPMLSA-N 2 1 293.480 3.149 20 0 CGADMP C[C@@H]([NH2+]C1(C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483696 289008459 /nfs/dbraw/zinc/00/84/59/289008459.db2.gz PURWXCCPOGLTTP-NVXWUHKLSA-N 2 1 284.447 3.429 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000548790569 289022556 /nfs/dbraw/zinc/02/25/56/289022556.db2.gz MHTAMYNPTFXVBP-MGPQQGTHSA-N 2 1 290.398 3.001 20 0 CGADMP CC1=CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000550930850 289091764 /nfs/dbraw/zinc/09/17/64/289091764.db2.gz KPVZWBNZASPCQJ-DLBZAZTESA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)C(C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000551556863 289121784 /nfs/dbraw/zinc/12/17/84/289121784.db2.gz ZAYVGYKPYMGAFQ-KBAYOESNSA-N 2 1 296.499 3.098 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2C2CCCCC2)CC[NH2+]C1 ZINC000261899427 289164658 /nfs/dbraw/zinc/16/46/58/289164658.db2.gz VSYULQWNTCZKGU-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)C[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552560260 289192730 /nfs/dbraw/zinc/19/27/30/289192730.db2.gz QLTBUGDBTJRZJB-ZACQAIPSSA-N 2 1 296.499 3.242 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000554385498 289280241 /nfs/dbraw/zinc/28/02/41/289280241.db2.gz ALRKSSLAOFNRDG-ANQUJSFKSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)CC[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000555162836 289330949 /nfs/dbraw/zinc/33/09/49/289330949.db2.gz DWWQREXAEJSNHE-HZPDHXFCSA-N 2 1 252.446 3.131 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119306 289374506 /nfs/dbraw/zinc/37/45/06/289374506.db2.gz BPFVSVHUDSEWON-DLBZAZTESA-N 2 1 294.483 3.284 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000277301020 289374901 /nfs/dbraw/zinc/37/49/01/289374901.db2.gz UFBLCKJBXZFFRC-DOTOQJQBSA-N 2 1 276.399 3.229 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000277301020 289374904 /nfs/dbraw/zinc/37/49/04/289374904.db2.gz UFBLCKJBXZFFRC-DOTOQJQBSA-N 2 1 276.399 3.229 20 0 CGADMP CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)C1CCOCC1 ZINC000562785147 289734569 /nfs/dbraw/zinc/73/45/69/289734569.db2.gz FXASIRMMRIAVIU-ROUUACIJSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253193705 290263959 /nfs/dbraw/zinc/26/39/59/290263959.db2.gz PABSBTAJUOBGBH-JHJVBQTASA-N 2 1 266.816 3.318 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423216945 294109740 /nfs/dbraw/zinc/10/97/40/294109740.db2.gz SRWSQTRBYDWWPJ-IUODEOHRSA-N 2 1 294.826 3.143 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784685 295332804 /nfs/dbraw/zinc/33/28/04/295332804.db2.gz QCXAYRJJUZPIMG-KBPBESRZSA-N 2 1 286.341 3.455 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)c2ccsc2S1 ZINC000335570111 300520874 /nfs/dbraw/zinc/52/08/74/300520874.db2.gz ZPFNAEGAOPAADF-CABZTGNLSA-N 2 1 268.451 3.015 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262028301 302168569 /nfs/dbraw/zinc/16/85/69/302168569.db2.gz NSNBRVBRSHTTGY-JZXOWHBKSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000125208711 302243282 /nfs/dbraw/zinc/24/32/82/302243282.db2.gz UGSSXOFGIYJQHX-HOTGVXAUSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000125208711 302243284 /nfs/dbraw/zinc/24/32/84/302243284.db2.gz UGSSXOFGIYJQHX-HOTGVXAUSA-N 2 1 275.440 3.161 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CCC(C)(C)CC1 ZINC000582912729 329287454 /nfs/dbraw/zinc/28/74/54/329287454.db2.gz GKZXKDCPPZEXFP-UHFFFAOYSA-N 2 1 263.429 3.253 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000582912729 329287456 /nfs/dbraw/zinc/28/74/56/329287456.db2.gz GKZXKDCPPZEXFP-UHFFFAOYSA-N 2 1 263.429 3.253 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000564416817 322030448 /nfs/dbraw/zinc/03/04/48/322030448.db2.gz FKPLKOWIZPWUSJ-HZPDHXFCSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000564416817 322030450 /nfs/dbraw/zinc/03/04/50/322030450.db2.gz FKPLKOWIZPWUSJ-HZPDHXFCSA-N 2 1 262.441 3.244 20 0 CGADMP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000565157249 322062869 /nfs/dbraw/zinc/06/28/69/322062869.db2.gz NDUGPXLRUNBWJA-APWZRJJASA-N 2 1 297.446 3.478 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000565157249 322062871 /nfs/dbraw/zinc/06/28/71/322062871.db2.gz NDUGPXLRUNBWJA-APWZRJJASA-N 2 1 297.446 3.478 20 0 CGADMP C[C@@H](CCc1ccco1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000565592714 322082998 /nfs/dbraw/zinc/08/29/98/322082998.db2.gz NCFHJDMVAMQSFQ-XJKSGUPXSA-N 2 1 264.413 3.098 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000566037141 322101464 /nfs/dbraw/zinc/10/14/64/322101464.db2.gz LQLMLNXGRDELDT-ROUUACIJSA-N 2 1 274.452 3.454 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCC(F)(F)F)C1 ZINC000567429732 322162984 /nfs/dbraw/zinc/16/29/84/322162984.db2.gz ZTNCJDWPIZPTRQ-NWDGAFQWSA-N 2 1 266.351 3.037 20 0 CGADMP Cc1cnc(CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000567496066 322165597 /nfs/dbraw/zinc/16/55/97/322165597.db2.gz MATIRUDUZOURMW-UHFFFAOYSA-N 2 1 289.467 3.046 20 0 CGADMP Cc1cnc(CC[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000567496066 322165600 /nfs/dbraw/zinc/16/56/00/322165600.db2.gz MATIRUDUZOURMW-UHFFFAOYSA-N 2 1 289.467 3.046 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000567864855 322180521 /nfs/dbraw/zinc/18/05/21/322180521.db2.gz VSDSFDBWGMKXBB-UHFFFAOYSA-N 2 1 280.721 3.139 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000568162388 322195450 /nfs/dbraw/zinc/19/54/50/322195450.db2.gz WENDCZNJQNWPGQ-ZYHUDNBSSA-N 2 1 293.461 3.183 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000568162388 322195452 /nfs/dbraw/zinc/19/54/52/322195452.db2.gz WENDCZNJQNWPGQ-ZYHUDNBSSA-N 2 1 293.461 3.183 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000568166202 322195655 /nfs/dbraw/zinc/19/56/55/322195655.db2.gz FYGUVZMGOYCYTI-QGZVFWFLSA-N 2 1 269.392 3.094 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000568269474 322201993 /nfs/dbraw/zinc/20/19/93/322201993.db2.gz MFJSCNCHRGQDHQ-SJORKVTESA-N 2 1 296.499 3.172 20 0 CGADMP CO[C@@H](CC(C)C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000569087175 322234253 /nfs/dbraw/zinc/23/42/53/322234253.db2.gz SZGYYFIPARTXPH-KRWDZBQOSA-N 2 1 284.488 3.100 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000569544261 322249823 /nfs/dbraw/zinc/24/98/23/322249823.db2.gz WRZTUABMXRLMJC-KRWDZBQOSA-N 2 1 286.463 3.385 20 0 CGADMP C[C@H](CC[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000570262136 322269076 /nfs/dbraw/zinc/26/90/76/322269076.db2.gz IKLCXKNQWHVARH-SNVBAGLBSA-N 2 1 295.839 3.290 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(-c2ccncc2)c1 ZINC000570271899 322269337 /nfs/dbraw/zinc/26/93/37/322269337.db2.gz NHGUZYJSWMDXQM-FZKQIMNGSA-N 2 1 281.403 3.137 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000570489050 322274841 /nfs/dbraw/zinc/27/48/41/322274841.db2.gz IJYGRSSTRZVVCU-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000570489050 322274843 /nfs/dbraw/zinc/27/48/43/322274843.db2.gz IJYGRSSTRZVVCU-XMTFNYHQSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000570536270 322276187 /nfs/dbraw/zinc/27/61/87/322276187.db2.gz HMNJRHMRNQNUKN-JYJNAYRXSA-N 2 1 278.827 3.302 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCCc1ccccc1 ZINC000572614135 322346711 /nfs/dbraw/zinc/34/67/11/322346711.db2.gz XWZYTOFFURGUAI-UHFFFAOYSA-N 2 1 285.435 3.307 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCCc1ccccc1 ZINC000572614135 322346713 /nfs/dbraw/zinc/34/67/13/322346713.db2.gz XWZYTOFFURGUAI-UHFFFAOYSA-N 2 1 285.435 3.307 20 0 CGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000573108368 322370861 /nfs/dbraw/zinc/37/08/61/322370861.db2.gz XTFGDSXWHJOIKZ-ZANVPECISA-N 2 1 258.768 3.113 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000584299049 327229287 /nfs/dbraw/zinc/22/92/87/327229287.db2.gz OGOOPUPZTOVLIU-VVLHAWIVSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000584299049 327229289 /nfs/dbraw/zinc/22/92/89/327229289.db2.gz OGOOPUPZTOVLIU-VVLHAWIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000582845234 329272861 /nfs/dbraw/zinc/27/28/61/329272861.db2.gz LVOMWAWDJDFSCR-RYUDHWBXSA-N 2 1 275.421 3.026 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000580493513 330349304 /nfs/dbraw/zinc/34/93/04/330349304.db2.gz LERNRZONSRFZJS-WNRNVDISSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000580493513 330349305 /nfs/dbraw/zinc/34/93/05/330349305.db2.gz LERNRZONSRFZJS-WNRNVDISSA-N 2 1 296.499 3.292 20 0 CGADMP COc1cccc2c(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)ccnc12 ZINC000576201644 335168753 /nfs/dbraw/zinc/16/87/53/335168753.db2.gz IMPLNDBGNZDQRO-CHWSQXEVSA-N 2 1 297.402 3.281 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)C1CC1 ZINC000163533073 334869711 /nfs/dbraw/zinc/86/97/11/334869711.db2.gz BNFQARCWEYEJRJ-INIZCTEOSA-N 2 1 273.424 3.137 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1 ZINC000576605819 335225711 /nfs/dbraw/zinc/22/57/11/335225711.db2.gz WUQZITLTFNEPQN-AEFFLSMTSA-N 2 1 274.452 3.472 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1 ZINC000576605819 335225713 /nfs/dbraw/zinc/22/57/13/335225713.db2.gz WUQZITLTFNEPQN-AEFFLSMTSA-N 2 1 274.452 3.472 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000581162780 336017084 /nfs/dbraw/zinc/01/70/84/336017084.db2.gz CQFYUVGEAKOSNO-HNAYVOBHSA-N 2 1 286.463 3.064 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000581162780 336017086 /nfs/dbraw/zinc/01/70/86/336017086.db2.gz CQFYUVGEAKOSNO-HNAYVOBHSA-N 2 1 286.463 3.064 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC2CCC1CC2 ZINC000381516241 336067190 /nfs/dbraw/zinc/06/71/90/336067190.db2.gz LSSLUTARWLCOIU-KTTYKNQRSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC2CCC1CC2 ZINC000381516241 336067191 /nfs/dbraw/zinc/06/71/91/336067191.db2.gz LSSLUTARWLCOIU-KTTYKNQRSA-N 2 1 264.457 3.274 20 0 CGADMP CC[N@H+]1CCN(c2ccnc3c(Cl)cccc23)[C@H](C)C1 ZINC000581420552 336074106 /nfs/dbraw/zinc/07/41/06/336074106.db2.gz HITNDASTFKFQNT-GFCCVEGCSA-N 2 1 289.810 3.419 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000581607942 336111424 /nfs/dbraw/zinc/11/14/24/336111424.db2.gz CXBLEMIKNZSTOT-RDJZCZTQSA-N 2 1 258.409 3.132 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000386382944 336171977 /nfs/dbraw/zinc/17/19/77/336171977.db2.gz RYMSFLVKHNVZNI-FFHGMXDLSA-N 2 1 252.446 3.416 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000581982252 336184191 /nfs/dbraw/zinc/18/41/91/336184191.db2.gz SXLKDPDXPDUVKF-QGZVFWFLSA-N 2 1 288.435 3.147 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582003224 336189104 /nfs/dbraw/zinc/18/91/04/336189104.db2.gz BEXWJWZNHYXFRC-MOPGFXCFSA-N 2 1 294.442 3.314 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1Br ZINC000415058770 533734438 /nfs/dbraw/zinc/73/44/38/533734438.db2.gz WQYZUKVTOMBHSA-CYBMUJFWSA-N 2 1 299.256 3.221 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427103673 533769303 /nfs/dbraw/zinc/76/93/03/533769303.db2.gz WOAOTBQPGXHBQL-CZUORRHYSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427103673 533769311 /nfs/dbraw/zinc/76/93/11/533769311.db2.gz WOAOTBQPGXHBQL-CZUORRHYSA-N 2 1 278.827 3.141 20 0 CGADMP C[C@H]([NH2+]CCc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]1 ZINC000422938544 533873762 /nfs/dbraw/zinc/87/37/62/533873762.db2.gz HBTIIJNSRVAKTL-GXFFZTMASA-N 2 1 287.234 3.266 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000425366406 533985329 /nfs/dbraw/zinc/98/53/29/533985329.db2.gz ZZEXCRPVZOGJSF-BHYGNILZSA-N 2 1 292.492 3.381 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000423359228 533993448 /nfs/dbraw/zinc/99/34/48/533993448.db2.gz CYYSWAFRUPYVPG-KKVJTYSWSA-N 2 1 294.389 3.044 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2ccccc2c1 ZINC000423281660 533994583 /nfs/dbraw/zinc/99/45/83/533994583.db2.gz UIJHTIXAJYLKKQ-YVEFUNNKSA-N 2 1 254.377 3.228 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000156677821 519796294 /nfs/dbraw/zinc/79/62/94/519796294.db2.gz GWUGTNMCBULVAB-INIZCTEOSA-N 2 1 271.408 3.040 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2n1 ZINC000368736015 534470981 /nfs/dbraw/zinc/47/09/81/534470981.db2.gz LGHHFPCHTAHELR-ROUUACIJSA-N 2 1 295.430 3.260 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000049554403 524166141 /nfs/dbraw/zinc/16/61/41/524166141.db2.gz CZSPSDVFIPWYEB-SNVBAGLBSA-N 2 1 275.223 3.423 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000157807548 524920639 /nfs/dbraw/zinc/92/06/39/524920639.db2.gz SEKYREFMTDWEEG-DUFSDNGMSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000157807548 524920650 /nfs/dbraw/zinc/92/06/50/524920650.db2.gz SEKYREFMTDWEEG-DUFSDNGMSA-N 2 1 276.399 3.144 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423382356 534879548 /nfs/dbraw/zinc/87/95/48/534879548.db2.gz OVRFZFHDGJUPKM-NTZNESFSSA-N 2 1 281.469 3.366 20 0 CGADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010961 526180359 /nfs/dbraw/zinc/18/03/59/526180359.db2.gz ULWYXBIWNXBDHG-GFCCVEGCSA-N 2 1 289.448 3.289 20 0 CGADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000184418417 526215296 /nfs/dbraw/zinc/21/52/96/526215296.db2.gz HRUGODSYWXMHCY-IRXDYDNUSA-N 2 1 289.467 3.409 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000037786344 526286524 /nfs/dbraw/zinc/28/65/24/526286524.db2.gz BJBDBBDLZCHFCR-UHFFFAOYSA-N 2 1 252.427 3.101 20 0 CGADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157966474 526512960 /nfs/dbraw/zinc/51/29/60/526512960.db2.gz YVMWLOWSJUGABT-SOUVJXGZSA-N 2 1 288.460 3.092 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150292254 527191948 /nfs/dbraw/zinc/19/19/48/527191948.db2.gz ZBGUSKDMJAUFCQ-LBPRGKRZSA-N 2 1 268.351 3.185 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049330421 527433169 /nfs/dbraw/zinc/43/31/69/527433169.db2.gz CAHGRCQIVZACOY-SECBINFHSA-N 2 1 269.801 3.257 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2Cl)C1 ZINC000424262791 527744943 /nfs/dbraw/zinc/74/49/43/527744943.db2.gz GQMAWHDOLAVQAB-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2Cl)C1 ZINC000424262791 527744945 /nfs/dbraw/zinc/74/49/45/527744945.db2.gz GQMAWHDOLAVQAB-OLZOCXBDSA-N 2 1 296.842 3.341 20 0 CGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000449246246 527860761 /nfs/dbraw/zinc/86/07/61/527860761.db2.gz DAWVPDFLQZOBME-RDJZCZTQSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cncs2)C1 ZINC000358344086 527974817 /nfs/dbraw/zinc/97/48/17/527974817.db2.gz IZFHYDOGQIEJLS-KBPBESRZSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cncs2)C1 ZINC000358344086 527974822 /nfs/dbraw/zinc/97/48/22/527974822.db2.gz IZFHYDOGQIEJLS-KBPBESRZSA-N 2 1 281.469 3.162 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423315561 528164513 /nfs/dbraw/zinc/16/45/13/528164513.db2.gz IZIBTEYTXJTBEG-GUYCJALGSA-N 2 1 276.424 3.109 20 0 CGADMP CCCCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423378274 528237941 /nfs/dbraw/zinc/23/79/41/528237941.db2.gz WKWLSGPGLOQEOJ-KBPBESRZSA-N 2 1 264.413 3.253 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000423268279 528310276 /nfs/dbraw/zinc/31/02/76/528310276.db2.gz FURGCXFYFKEOPD-FZMZJTMJSA-N 2 1 254.805 3.364 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC2CCOCC2)CC1 ZINC000432935793 528338853 /nfs/dbraw/zinc/33/88/53/528338853.db2.gz FNDOIRKHWNOAAR-UHFFFAOYSA-N 2 1 296.499 3.247 20 0 CGADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436304444 528419249 /nfs/dbraw/zinc/41/92/49/528419249.db2.gz DTUUSBZQIMLZKW-ZBFHGGJFSA-N 2 1 252.446 3.418 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423266345 528691211 /nfs/dbraw/zinc/69/12/11/528691211.db2.gz BSINOAPFHKPCFA-GUYCJALGSA-N 2 1 276.424 3.253 20 0 CGADMP CCCC[C@@H](C)[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507204 528763886 /nfs/dbraw/zinc/76/38/86/528763886.db2.gz JJVOYMWQYSBTSA-VEZWFGLTSA-N 2 1 295.515 3.007 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000423297102 528820419 /nfs/dbraw/zinc/82/04/19/528820419.db2.gz ITPXDXDZJDKLMI-RYUDHWBXSA-N 2 1 294.468 3.111 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423298533 528821705 /nfs/dbraw/zinc/82/17/05/528821705.db2.gz OKNHMWQNYVJNRZ-JKSUJKDBSA-N 2 1 264.388 3.384 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000423287611 528953337 /nfs/dbraw/zinc/95/33/37/528953337.db2.gz NJVREDAOKSQWCJ-LLVKDONJSA-N 2 1 286.366 3.456 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423288588 528954951 /nfs/dbraw/zinc/95/49/51/528954951.db2.gz TVOPHNWNFWWTMS-ZDUSSCGKSA-N 2 1 264.413 3.400 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](CC(F)(F)F)C(C)C)CC1 ZINC000437091949 528988566 /nfs/dbraw/zinc/98/85/66/528988566.db2.gz RKWXRKYVTSEREH-GFCCVEGCSA-N 2 1 266.351 3.037 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449065379 528988590 /nfs/dbraw/zinc/98/85/90/528988590.db2.gz UCJZYEVNHMANIS-CQSZACIVSA-N 2 1 286.419 3.438 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423271364 529070225 /nfs/dbraw/zinc/07/02/25/529070225.db2.gz IZZLEWZLYYRBIA-HUUCEWRRSA-N 2 1 266.816 3.364 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449106661 529085681 /nfs/dbraw/zinc/08/56/81/529085681.db2.gz NBGAHKMVPWCHAJ-CQSZACIVSA-N 2 1 272.392 3.254 20 0 CGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CC1(C)C ZINC000414068238 529160667 /nfs/dbraw/zinc/16/06/67/529160667.db2.gz AZCYBBFACIIESE-HUUCEWRRSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000423257927 529172921 /nfs/dbraw/zinc/17/29/21/529172921.db2.gz ASQIDMQYGZGHAK-ZIAGYGMSSA-N 2 1 254.805 3.364 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(OC(F)(F)F)cc1 ZINC000423456600 529173789 /nfs/dbraw/zinc/17/37/89/529173789.db2.gz DRYYFXRVMMAAMD-WCQYABFASA-N 2 1 290.329 3.363 20 0 CGADMP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1cccc(Cl)c1F ZINC000423278471 529178280 /nfs/dbraw/zinc/17/82/80/529178280.db2.gz QYTBAGHOUDCJNX-ZWNOBZJWSA-N 2 1 272.795 3.375 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Cl)c1 ZINC000423313565 529178659 /nfs/dbraw/zinc/17/86/59/529178659.db2.gz FWBVNNLQPCOFHQ-UONOGXRCSA-N 2 1 252.789 3.118 20 0 CGADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CC1(C)C ZINC000418100566 529190339 /nfs/dbraw/zinc/19/03/39/529190339.db2.gz DQRWKTNBABPKPJ-QWHCGFSZSA-N 2 1 281.469 3.119 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449139989 529202506 /nfs/dbraw/zinc/20/25/06/529202506.db2.gz BONUISGQOJTDMR-HOCLYGCPSA-N 2 1 264.413 3.065 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449139989 529202508 /nfs/dbraw/zinc/20/25/08/529202508.db2.gz BONUISGQOJTDMR-HOCLYGCPSA-N 2 1 264.413 3.065 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423290350 529246267 /nfs/dbraw/zinc/24/62/67/529246267.db2.gz ZTFZTMOHXBYPMA-LLVKDONJSA-N 2 1 252.427 3.187 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000423472840 529247807 /nfs/dbraw/zinc/24/78/07/529247807.db2.gz QJOSUJPVKVUVJM-WCQYABFASA-N 2 1 252.427 3.187 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459476470 534955433 /nfs/dbraw/zinc/95/54/33/534955433.db2.gz QZNDZSSKHWXPAS-WLYUNCDWSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000480184371 535526403 /nfs/dbraw/zinc/52/64/03/535526403.db2.gz SJRBBLGCSYKATG-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000459746880 536384466 /nfs/dbraw/zinc/38/44/66/536384466.db2.gz ZEBNBJZSYJSISQ-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000480760777 536796571 /nfs/dbraw/zinc/79/65/71/536796571.db2.gz IFIFSMZDJQREGS-KRWDZBQOSA-N 2 1 292.467 3.231 20 0 CGADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191169670 536798158 /nfs/dbraw/zinc/79/81/58/536798158.db2.gz RYKFJAXNSBNHFR-NSHDSACASA-N 2 1 290.860 3.020 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191169670 536798161 /nfs/dbraw/zinc/79/81/61/536798161.db2.gz RYKFJAXNSBNHFR-NSHDSACASA-N 2 1 290.860 3.020 20 0 CGADMP COc1cccc([C@H]2C[C@H]([N@H+](C)CCn3cc[nH+]c3C)C2)c1 ZINC000452025368 536905877 /nfs/dbraw/zinc/90/58/77/536905877.db2.gz ZSSDRTSCUPNBTE-QAQDUYKDSA-N 2 1 299.418 3.078 20 0 CGADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)CCn3cc[nH+]c3C)C2)c1 ZINC000452025368 536905881 /nfs/dbraw/zinc/90/58/81/536905881.db2.gz ZSSDRTSCUPNBTE-QAQDUYKDSA-N 2 1 299.418 3.078 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000728571248 571811214 /nfs/dbraw/zinc/81/12/14/571811214.db2.gz SLWLTCZLMYQLCX-UHFFFAOYSA-N 2 1 295.858 3.289 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806129978 617831288 /nfs/dbraw/zinc/83/12/88/617831288.db2.gz NLEMBQYPOIFGNM-CYBMUJFWSA-N 2 1 281.831 3.042 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806129978 617831290 /nfs/dbraw/zinc/83/12/90/617831290.db2.gz NLEMBQYPOIFGNM-CYBMUJFWSA-N 2 1 281.831 3.042 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000891616953 618242189 /nfs/dbraw/zinc/24/21/89/618242189.db2.gz DCXKYYJRRMLSEK-HNNXBMFYSA-N 2 1 264.438 3.227 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000891619956 618242536 /nfs/dbraw/zinc/24/25/36/618242536.db2.gz ZVCSKXUKICTUDX-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP COC1CCC(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000891745961 618274059 /nfs/dbraw/zinc/27/40/59/618274059.db2.gz NZWHUSRVKKERFO-UHFFFAOYSA-N 2 1 296.499 3.244 20 0 CGADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000121891785 618660614 /nfs/dbraw/zinc/66/06/14/618660614.db2.gz SAZYUAPWCLXWBT-ORQFMDKSSA-N 2 1 276.468 3.275 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)C[NH+]1CCCC1 ZINC000179108651 618750775 /nfs/dbraw/zinc/75/07/75/618750775.db2.gz MVUYOWFXPPMQPS-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C)C1 ZINC000177034075 618776737 /nfs/dbraw/zinc/77/67/37/618776737.db2.gz QGQSYQWHOUZMFT-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C)C1 ZINC000177034075 618776738 /nfs/dbraw/zinc/77/67/38/618776738.db2.gz QGQSYQWHOUZMFT-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2C)C1 ZINC000177034075 618776741 /nfs/dbraw/zinc/77/67/41/618776741.db2.gz QGQSYQWHOUZMFT-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2C)C1 ZINC000177034075 618776743 /nfs/dbraw/zinc/77/67/43/618776743.db2.gz QGQSYQWHOUZMFT-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCCSC[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000893030141 618980742 /nfs/dbraw/zinc/98/07/42/618980742.db2.gz PXOPECLZIKCWAW-ZDUSSCGKSA-N 2 1 269.458 3.093 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000925702534 619152345 /nfs/dbraw/zinc/15/23/45/619152345.db2.gz BDOLBPDZHGJCEB-PMPSAXMXSA-N 2 1 262.441 3.053 20 0 CGADMP CC(C)C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000093678149 619209161 /nfs/dbraw/zinc/20/91/61/619209161.db2.gz AUCPCCXQIYWSQU-MQVJKMGUSA-N 2 1 252.446 3.274 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000317878153 619257184 /nfs/dbraw/zinc/25/71/84/619257184.db2.gz STYSMIDVBRKJMW-VQIMIIECSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000261577654 619289969 /nfs/dbraw/zinc/28/99/69/619289969.db2.gz LGWBOUFQWKVYJG-QMMMGPOBSA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924917428 619440435 /nfs/dbraw/zinc/44/04/35/619440435.db2.gz QNBUAPXTYQBSFR-HOTGVXAUSA-N 2 1 291.483 3.129 20 0 CGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924917428 619440436 /nfs/dbraw/zinc/44/04/36/619440436.db2.gz QNBUAPXTYQBSFR-HOTGVXAUSA-N 2 1 291.483 3.129 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000895587504 619855261 /nfs/dbraw/zinc/85/52/61/619855261.db2.gz XBAJKSYXQUWKQD-NVXWUHKLSA-N 2 1 272.436 3.038 20 0 CGADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000895636205 619862414 /nfs/dbraw/zinc/86/24/14/619862414.db2.gz SIUDUHJNTOAQAU-GBESFXJTSA-N 2 1 284.447 3.064 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C2CCC2)c1 ZINC000925219455 620235385 /nfs/dbraw/zinc/23/53/85/620235385.db2.gz DIISHYHHPSHYAK-LXZKKBNFSA-N 2 1 290.455 3.132 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000872080010 620276683 /nfs/dbraw/zinc/27/66/83/620276683.db2.gz RNZPOWCNWPHVTC-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)CC1(C)C ZINC000897473945 620343912 /nfs/dbraw/zinc/34/39/12/620343912.db2.gz IPFRJWUBJLUOSU-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)CC1(C)C ZINC000897772324 620426701 /nfs/dbraw/zinc/42/67/01/620426701.db2.gz RBCSEZKYLIOSTO-KGLIPLIRSA-N 2 1 250.430 3.172 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4CCC[C@H]43)CC2)cc1 ZINC000897955144 620455349 /nfs/dbraw/zinc/45/53/49/620455349.db2.gz PVPLJVOFMWDPON-MISYRCLQSA-N 2 1 298.474 3.472 20 0 CGADMP CCc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897982694 620461892 /nfs/dbraw/zinc/46/18/92/620461892.db2.gz PDSUKGNHECTUKO-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP c1cc2cnccc2c(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897982251 620462357 /nfs/dbraw/zinc/46/23/57/620462357.db2.gz ZNYCKDBCNYGALT-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000054555966 620517963 /nfs/dbraw/zinc/51/79/63/620517963.db2.gz FOLVNWFAGSQMNN-FHERZECASA-N 2 1 264.457 3.275 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688835 620563455 /nfs/dbraw/zinc/56/34/55/620563455.db2.gz VXFOWASZLCCCOO-KGLIPLIRSA-N 2 1 293.455 3.454 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC3CCC2CC3)cn1 ZINC000924725533 620578797 /nfs/dbraw/zinc/57/87/97/620578797.db2.gz XJZMPSPSHWZXGN-BDVYOWHSSA-N 2 1 296.418 3.244 20 0 CGADMP CCC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000902415746 621308475 /nfs/dbraw/zinc/30/84/75/621308475.db2.gz PYZNELATAUAPQF-CYBMUJFWSA-N 2 1 252.789 3.262 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000902415537 621309007 /nfs/dbraw/zinc/30/90/07/621309007.db2.gz HXFYLYXUGJXTGA-ZDUSSCGKSA-N 2 1 299.443 3.268 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000903016539 621519809 /nfs/dbraw/zinc/51/98/09/621519809.db2.gz GUIABZFONYMFHU-SJLPKXTDSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903061569 621550778 /nfs/dbraw/zinc/55/07/78/621550778.db2.gz HCKNDTBCOQVBCR-ZNXRZULTSA-N 2 1 270.420 3.242 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903081540 621562340 /nfs/dbraw/zinc/56/23/40/621562340.db2.gz VAJPEHNKEYXCEV-VUZHLFFPSA-N 2 1 262.441 3.313 20 0 CGADMP C[C@@H](C[NH2+][C@@H](c1ccccn1)C1CC1)C[NH+]1CCCCC1 ZINC000903072056 621568805 /nfs/dbraw/zinc/56/88/05/621568805.db2.gz BOVYEBFPDLXWSZ-MAUKXSAKSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCC1 ZINC000903097153 621586181 /nfs/dbraw/zinc/58/61/81/621586181.db2.gz PQQBLNLCBFXASD-IICXIOTHSA-N 2 1 262.441 3.313 20 0 CGADMP CC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177479 621614143 /nfs/dbraw/zinc/61/41/43/621614143.db2.gz NPIXQXLSMLSUFW-QXMXGUDHSA-N 2 1 272.383 3.169 20 0 CGADMP c1ccc2c(c1)COC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903190053 621628075 /nfs/dbraw/zinc/62/80/75/621628075.db2.gz OCRUZIKQNRZCQU-KTWXZFIHSA-N 2 1 298.430 3.005 20 0 CGADMP c1ccc2c(c1)COC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903190053 621628078 /nfs/dbraw/zinc/62/80/78/621628078.db2.gz OCRUZIKQNRZCQU-KTWXZFIHSA-N 2 1 298.430 3.005 20 0 CGADMP C(C[C@@H]1CCCS1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903210982 621630627 /nfs/dbraw/zinc/63/06/27/621630627.db2.gz CIIKDKHHWHHVLA-WDVRLDOZSA-N 2 1 280.481 3.020 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903252816 621642427 /nfs/dbraw/zinc/64/24/27/621642427.db2.gz IBOOPXGEXQEYQM-BZOOQXSSSA-N 2 1 290.455 3.166 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000903341323 621696259 /nfs/dbraw/zinc/69/62/59/621696259.db2.gz MXVBHRCOLGTSEA-AJNGGQMLSA-N 2 1 286.410 3.274 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)COCC2CCCCC2)CC1 ZINC000903354316 621711945 /nfs/dbraw/zinc/71/19/45/621711945.db2.gz MGCIFVTVKIRDEG-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903431046 621744225 /nfs/dbraw/zinc/74/42/25/621744225.db2.gz DXSIZBKODXSFEH-PVAVHDDUSA-N 2 1 258.409 3.259 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903430657 621744698 /nfs/dbraw/zinc/74/46/98/621744698.db2.gz ZZPQHRVZUJPTAA-HYVNUMGLSA-N 2 1 258.409 3.259 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903438557 621747469 /nfs/dbraw/zinc/74/74/69/621747469.db2.gz YITUHVARERVHMO-HYVNUMGLSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439345 621748173 /nfs/dbraw/zinc/74/81/73/621748173.db2.gz GRZBDYMSVUEXIC-HPBDAGMYSA-N 2 1 272.436 3.067 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440098 621749144 /nfs/dbraw/zinc/74/91/44/621749144.db2.gz SPVGAHZGIHEMMX-SMKXDYDZSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1c1ccccc1 ZINC000903440387 621749240 /nfs/dbraw/zinc/74/92/40/621749240.db2.gz WGBPHBCVMUBNFU-XYVMCAHJSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1CN ZINC000903424920 621751190 /nfs/dbraw/zinc/75/11/90/621751190.db2.gz LOBSMAOTOUBQGG-LCGIIJARSA-N 2 1 294.389 3.095 20 0 CGADMP C[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1CN ZINC000903424920 621751193 /nfs/dbraw/zinc/75/11/93/621751193.db2.gz LOBSMAOTOUBQGG-LCGIIJARSA-N 2 1 294.389 3.095 20 0 CGADMP C1CC1[NH+]1CCC([NH2+]C2(C3CCCCC3)CC2)CC1 ZINC000903448611 621759683 /nfs/dbraw/zinc/75/96/83/621759683.db2.gz QXMMCFKNCIULRI-UHFFFAOYSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(C3CCCCC3)CC2)CC[N@@H+]1C ZINC000903447780 621759771 /nfs/dbraw/zinc/75/97/71/621759771.db2.gz CKNZOQWBLPRROM-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(C3CCCCC3)CC2)CC[N@H+]1C ZINC000903447780 621759776 /nfs/dbraw/zinc/75/97/76/621759776.db2.gz CKNZOQWBLPRROM-DZGCQCFKSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903565740 621767837 /nfs/dbraw/zinc/76/78/37/621767837.db2.gz CYBPANOOHLBEHN-JFIYKMOQSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000903716952 621795708 /nfs/dbraw/zinc/79/57/08/621795708.db2.gz VYLLFOKKBKPRAK-HUUCEWRRSA-N 2 1 260.425 3.369 20 0 CGADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCCC[NH2+]C1 ZINC000903718483 621795965 /nfs/dbraw/zinc/79/59/65/621795965.db2.gz NGDMSCIVKHFXMR-AWEZNQCLSA-N 2 1 298.377 3.110 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000903730626 621797512 /nfs/dbraw/zinc/79/75/12/621797512.db2.gz YCPVNYNOYCLBBT-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765041 621803009 /nfs/dbraw/zinc/80/30/09/621803009.db2.gz XAPOQOJQFXGEDI-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000903896622 621829285 /nfs/dbraw/zinc/82/92/85/621829285.db2.gz WALFBPPFKAWDMN-CQSZACIVSA-N 2 1 286.341 3.020 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000903896622 621829287 /nfs/dbraw/zinc/82/92/87/621829287.db2.gz WALFBPPFKAWDMN-CQSZACIVSA-N 2 1 286.341 3.020 20 0 CGADMP CC(C)(Cc1ccccc1Cl)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903897850 621829321 /nfs/dbraw/zinc/82/93/21/621829321.db2.gz HMZDCBMIJSKUSM-NSHDSACASA-N 2 1 290.785 3.233 20 0 CGADMP C[C@H]1CC[C@]2(CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC000903902149 621830419 /nfs/dbraw/zinc/83/04/19/621830419.db2.gz DEPQUAXLGZPQST-MKXAEBJUSA-N 2 1 262.441 3.029 20 0 CGADMP C[N@H+](Cc1ccc(F)c(Cl)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909589 621832230 /nfs/dbraw/zinc/83/22/30/621832230.db2.gz FZKWAQBEMRNBAR-AGUYFDCRSA-N 2 1 296.817 3.442 20 0 CGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939146 621833247 /nfs/dbraw/zinc/83/32/47/621833247.db2.gz ROBKXDQNDKHTLS-UHFFFAOYSA-N 2 1 291.222 3.219 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929397 621833913 /nfs/dbraw/zinc/83/39/13/621833913.db2.gz DKNIJWUHVPKCFH-GJZGRUSLSA-N 2 1 294.389 3.239 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929397 621833915 /nfs/dbraw/zinc/83/39/15/621833915.db2.gz DKNIJWUHVPKCFH-GJZGRUSLSA-N 2 1 294.389 3.239 20 0 CGADMP C(C[N@@H+](CC1CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903932895 621834551 /nfs/dbraw/zinc/83/45/51/621834551.db2.gz HZXPEMKFPDKCAS-ALOPSCKCSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@@]1(C[N@H+]2CCCCC[C@H]2c2ccncc2)CCC[NH2+]C1 ZINC000904301200 621902110 /nfs/dbraw/zinc/90/21/10/621902110.db2.gz AWAXKYLMWSEHRS-ZWKOTPCHSA-N 2 1 287.451 3.388 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307909 621902562 /nfs/dbraw/zinc/90/25/62/621902562.db2.gz YSTWURKWLXKLGG-SGMGOOAPSA-N 2 1 258.365 3.163 20 0 CGADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCc2ccccc21 ZINC000904309448 621902850 /nfs/dbraw/zinc/90/28/50/621902850.db2.gz LGOHCLZCPVGDJV-LXZKKBNFSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904310115 621903081 /nfs/dbraw/zinc/90/30/81/621903081.db2.gz WHSJKUPAHHFBMW-GYSYKLTISA-N 2 1 286.341 3.436 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000904372025 621914133 /nfs/dbraw/zinc/91/41/33/621914133.db2.gz WIGYDYFYUWNUTB-YESZJQIVSA-N 2 1 296.499 3.013 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000904372025 621914139 /nfs/dbraw/zinc/91/41/39/621914139.db2.gz WIGYDYFYUWNUTB-YESZJQIVSA-N 2 1 296.499 3.013 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)cc1C ZINC000904389847 621915574 /nfs/dbraw/zinc/91/55/74/621915574.db2.gz WIQIBCJBKDGEAH-DZGCQCFKSA-N 2 1 264.413 3.028 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000904405138 621917960 /nfs/dbraw/zinc/91/79/60/621917960.db2.gz FJMKBRBSJVHIBE-HNNXBMFYSA-N 2 1 288.435 3.179 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406075 621918330 /nfs/dbraw/zinc/91/83/30/621918330.db2.gz ORWWONZCUFFQGS-ZDUSSCGKSA-N 2 1 266.816 3.128 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904404770 621918574 /nfs/dbraw/zinc/91/85/74/621918574.db2.gz FRBZHWGPAAWOCL-GFCCVEGCSA-N 2 1 266.816 3.073 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904409727 621919186 /nfs/dbraw/zinc/91/91/86/621919186.db2.gz HDQCYWAONZNCBX-ZYHUDNBSSA-N 2 1 286.341 3.180 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420138 621921776 /nfs/dbraw/zinc/92/17/76/621921776.db2.gz CZOMKVATYLVKSJ-ISARSNTHSA-N 2 1 284.447 3.038 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000059180970 622997436 /nfs/dbraw/zinc/99/74/36/622997436.db2.gz JHEVTXJURSWNOJ-LBPRGKRZSA-N 2 1 293.480 3.015 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000059180970 622997441 /nfs/dbraw/zinc/99/74/41/622997441.db2.gz JHEVTXJURSWNOJ-LBPRGKRZSA-N 2 1 293.480 3.015 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228473815 623058050 /nfs/dbraw/zinc/05/80/50/623058050.db2.gz LVUOIJLGPUVDOU-CGTJXYLNSA-N 2 1 288.435 3.033 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC000921598981 625692605 /nfs/dbraw/zinc/69/26/05/625692605.db2.gz RSYVNKVLTYIBCY-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CCCCC1 ZINC000921598981 625692624 /nfs/dbraw/zinc/69/26/24/625692624.db2.gz RSYVNKVLTYIBCY-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP CCc1nc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925474896 624435963 /nfs/dbraw/zinc/43/59/63/624435963.db2.gz AMQXNSKPOCLANQ-QJPTWQEYSA-N 2 1 281.469 3.262 20 0 CGADMP CC1(C)CC([NH2+]Cc2ccnn2C2CCC2)CC(C)(C)[NH2+]1 ZINC000921492894 624596082 /nfs/dbraw/zinc/59/60/82/624596082.db2.gz CCBYUJGKZFQVFQ-UHFFFAOYSA-N 2 1 290.455 3.007 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]21 ZINC000230125946 625856299 /nfs/dbraw/zinc/85/62/99/625856299.db2.gz PSJIHHMPWMLPGU-SOUVJXGZSA-N 2 1 280.362 3.183 20 0 CGADMP Cc1nc(C[N@H+](C)C2CCC([NH3+])CC2)sc1C(C)(C)C ZINC000923294612 626144274 /nfs/dbraw/zinc/14/42/74/626144274.db2.gz NUNICIZAABSLEO-UHFFFAOYSA-N 2 1 295.496 3.451 20 0 CGADMP Fc1cccc([C@H]2CC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923316004 626145217 /nfs/dbraw/zinc/14/52/17/626145217.db2.gz CBKKAKRUPKITEP-FXANMCRTSA-N 2 1 288.410 3.493 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923349254 626148236 /nfs/dbraw/zinc/14/82/36/626148236.db2.gz RHDPIPRMPNJGAZ-CQSZACIVSA-N 2 1 250.430 3.018 20 0 CGADMP Fc1cccc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)c1F ZINC000923385017 626149909 /nfs/dbraw/zinc/14/99/09/626149909.db2.gz SGXNWLDKHQLSPN-UHFFFAOYSA-N 2 1 294.389 3.286 20 0 CGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493200 626157571 /nfs/dbraw/zinc/15/75/71/626157571.db2.gz FKNGCPLETGMWBO-GDBMZVCRSA-N 2 1 290.451 3.235 20 0 CGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495385 626157903 /nfs/dbraw/zinc/15/79/03/626157903.db2.gz BNRBTSWKRYXKNG-NTZNESFSSA-N 2 1 284.806 3.457 20 0 CGADMP CC(C)CCc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923502366 626158599 /nfs/dbraw/zinc/15/85/99/626158599.db2.gz WPYXQISFURZGPI-KBPBESRZSA-N 2 1 295.496 3.148 20 0 CGADMP C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923532043 626161822 /nfs/dbraw/zinc/16/18/22/626161822.db2.gz XRRMPFJKVGQSRU-SWLSCSKDSA-N 2 1 298.883 3.408 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(C(C)C)C2)cn1 ZINC000754090278 626475146 /nfs/dbraw/zinc/47/51/46/626475146.db2.gz TVLBCHRLALCOST-UHFFFAOYSA-N 2 1 284.407 3.100 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000762915808 627131867 /nfs/dbraw/zinc/13/18/67/627131867.db2.gz FYIDCDCJFFIZGQ-CQSZACIVSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000762915808 627131871 /nfs/dbraw/zinc/13/18/71/627131871.db2.gz FYIDCDCJFFIZGQ-CQSZACIVSA-N 2 1 269.392 3.201 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000765805196 627272255 /nfs/dbraw/zinc/27/22/55/627272255.db2.gz UXCSCSPWOXLQHO-LDBYLJPUSA-N 2 1 294.483 3.183 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000765805196 627272259 /nfs/dbraw/zinc/27/22/59/627272259.db2.gz UXCSCSPWOXLQHO-LDBYLJPUSA-N 2 1 294.483 3.183 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000765805198 627272436 /nfs/dbraw/zinc/27/24/36/627272436.db2.gz UXCSCSPWOXLQHO-SLUKUZTOSA-N 2 1 294.483 3.183 20 0 CGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000765805198 627272438 /nfs/dbraw/zinc/27/24/38/627272438.db2.gz UXCSCSPWOXLQHO-SLUKUZTOSA-N 2 1 294.483 3.183 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C1(CC)CC ZINC000766488799 627337193 /nfs/dbraw/zinc/33/71/93/627337193.db2.gz OLQOOMLFRMQOAJ-JKSUJKDBSA-N 2 1 282.472 3.044 20 0 CGADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768160503 627464228 /nfs/dbraw/zinc/46/42/28/627464228.db2.gz QGKJDDQBPJKZCI-UHFFFAOYSA-N 2 1 298.430 3.389 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000775601645 628112395 /nfs/dbraw/zinc/11/23/95/628112395.db2.gz DLEXYDUAENLKME-UHFFFAOYSA-N 2 1 274.452 3.283 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000782155892 628618667 /nfs/dbraw/zinc/61/86/67/628618667.db2.gz XJWZVEFWDWWOPO-ROIMYGTQSA-N 2 1 288.479 3.419 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782183360 628621960 /nfs/dbraw/zinc/62/19/60/628621960.db2.gz YZNLZTUZPDQHGJ-MLGOLLRUSA-N 2 1 278.827 3.211 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782183360 628621962 /nfs/dbraw/zinc/62/19/62/628621962.db2.gz YZNLZTUZPDQHGJ-MLGOLLRUSA-N 2 1 278.827 3.211 20 0 CGADMP C[C@@H](C1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000782185490 628622230 /nfs/dbraw/zinc/62/22/30/628622230.db2.gz XRMHFHSUZQVTCF-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H](C1CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000782185491 628622482 /nfs/dbraw/zinc/62/24/82/628622482.db2.gz XRMHFHSUZQVTCF-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCCSC1)[NH+]1CCCC1 ZINC000783535657 628723335 /nfs/dbraw/zinc/72/33/35/628723335.db2.gz HBBWNVJKEPGGBZ-HZPDHXFCSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H](c2ccco2)C1 ZINC000788481178 629058273 /nfs/dbraw/zinc/05/82/73/629058273.db2.gz FLKLVJYSUQZWJF-ZBFHGGJFSA-N 2 1 276.424 3.394 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790049557 629179780 /nfs/dbraw/zinc/17/97/80/629179780.db2.gz NZAVOWGEJDQDKK-GOEBONIOSA-N 2 1 260.425 3.036 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790049557 629179781 /nfs/dbraw/zinc/17/97/81/629179781.db2.gz NZAVOWGEJDQDKK-GOEBONIOSA-N 2 1 260.425 3.036 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792903768 629392390 /nfs/dbraw/zinc/39/23/90/629392390.db2.gz KBTPEHRFMNYNTD-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792903768 629392394 /nfs/dbraw/zinc/39/23/94/629392394.db2.gz KBTPEHRFMNYNTD-OLZOCXBDSA-N 2 1 293.282 3.234 20 0 CGADMP CCCCC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796259248 629757843 /nfs/dbraw/zinc/75/78/43/629757843.db2.gz SJLOBNSAASBQCH-GFCCVEGCSA-N 2 1 269.458 3.263 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000796704849 629817670 /nfs/dbraw/zinc/81/76/70/629817670.db2.gz CFTWOOHNGSOXRP-PILAGYSTSA-N 2 1 290.426 3.392 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2C)C1 ZINC000865417321 630113350 /nfs/dbraw/zinc/11/33/50/630113350.db2.gz GQWSFJGMMHSIHR-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC000843389665 635656951 /nfs/dbraw/zinc/65/69/51/635656951.db2.gz KQGBBXOSJZAZTA-JSGCOSHPSA-N 2 1 298.352 3.104 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000815560045 631794992 /nfs/dbraw/zinc/79/49/92/631794992.db2.gz XBKBREKGWRJZRP-IAOVAPTHSA-N 2 1 276.399 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000815560045 631794999 /nfs/dbraw/zinc/79/49/99/631794999.db2.gz XBKBREKGWRJZRP-IAOVAPTHSA-N 2 1 276.399 3.412 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC000817892352 632230735 /nfs/dbraw/zinc/23/07/35/632230735.db2.gz TZSPQSXDMIVYJV-JSGCOSHPSA-N 2 1 281.831 3.135 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817897574 632231196 /nfs/dbraw/zinc/23/11/96/632231196.db2.gz SDDOJNFKHXAQMO-KBRIMQKVSA-N 2 1 276.399 3.144 20 0 CGADMP N[C@H]1CCCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900265 632231681 /nfs/dbraw/zinc/23/16/81/632231681.db2.gz LTJDYLDQROVVRZ-ZGUYJTEBSA-N 2 1 293.499 3.033 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817906918 632232679 /nfs/dbraw/zinc/23/26/79/632232679.db2.gz HADWDQKBCUGPMM-MOPGFXCFSA-N 2 1 296.414 3.498 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000817960571 632256527 /nfs/dbraw/zinc/25/65/27/632256527.db2.gz OLRUMWHCMFLQHR-AWEZNQCLSA-N 2 1 286.423 3.040 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(SC(F)F)cc1 ZINC000817960691 632256544 /nfs/dbraw/zinc/25/65/44/632256544.db2.gz PVMIOYFNDMCEBX-RNCFNFMXSA-N 2 1 286.391 3.389 20 0 CGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000817980879 632271131 /nfs/dbraw/zinc/27/11/31/632271131.db2.gz FLXGVFUUKRHMQG-DGCLKSJQSA-N 2 1 258.475 3.014 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(C)c1OC(F)F ZINC000818431917 632318255 /nfs/dbraw/zinc/31/82/55/632318255.db2.gz WACSQNKJVZGOTR-ZIAGYGMSSA-N 2 1 298.377 3.264 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1C(F)(F)F ZINC000865800604 632893193 /nfs/dbraw/zinc/89/31/93/632893193.db2.gz KTWKNWZQGRBXAA-NWDGAFQWSA-N 2 1 299.340 3.163 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[N@@H+](C2CC2)C1 ZINC000865839796 632911763 /nfs/dbraw/zinc/91/17/63/632911763.db2.gz SYTIKBCTUVGLLL-NSHDSACASA-N 2 1 299.340 3.021 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[N@H+](C2CC2)C1 ZINC000865839796 632911768 /nfs/dbraw/zinc/91/17/68/632911768.db2.gz SYTIKBCTUVGLLL-NSHDSACASA-N 2 1 299.340 3.021 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC000822664554 633001758 /nfs/dbraw/zinc/00/17/58/633001758.db2.gz TXJCNBOYUBVRHI-UPJWGTAASA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC000822664554 633001764 /nfs/dbraw/zinc/00/17/64/633001764.db2.gz TXJCNBOYUBVRHI-UPJWGTAASA-N 2 1 293.282 3.375 20 0 CGADMP C[N@H+]1CCCC12CCN(CC[C@@H]1CC1(Cl)Cl)CC2 ZINC000822808599 633024147 /nfs/dbraw/zinc/02/41/47/633024147.db2.gz WITHGVGTAMEPHO-GFCCVEGCSA-N 2 1 291.266 3.131 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CC[C@@H]1CC1(Cl)Cl)CC2 ZINC000822808599 633024149 /nfs/dbraw/zinc/02/41/49/633024149.db2.gz WITHGVGTAMEPHO-GFCCVEGCSA-N 2 1 291.266 3.131 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CC[C@@H]1CC1(Cl)Cl)CC2 ZINC000822808599 633024151 /nfs/dbraw/zinc/02/41/51/633024151.db2.gz WITHGVGTAMEPHO-GFCCVEGCSA-N 2 1 291.266 3.131 20 0 CGADMP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000866217879 633033091 /nfs/dbraw/zinc/03/30/91/633033091.db2.gz ITEYRSYFPSYRNT-SJKOYZFVSA-N 2 1 276.399 3.133 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC000866240449 633040536 /nfs/dbraw/zinc/04/05/36/633040536.db2.gz FSLHQSKJUTXZSO-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC000866240449 633040543 /nfs/dbraw/zinc/04/05/43/633040543.db2.gz FSLHQSKJUTXZSO-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP c1cc(C[NH+]2CCCCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000824490792 633250587 /nfs/dbraw/zinc/25/05/87/633250587.db2.gz KPCUWNOPSBTPFY-UHFFFAOYSA-N 2 1 270.380 3.033 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc3C2)CC1 ZINC000872018673 633939442 /nfs/dbraw/zinc/93/94/42/633939442.db2.gz OHAJCIZHBZCXPT-SFHVURJKSA-N 2 1 272.436 3.008 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000872020723 633940657 /nfs/dbraw/zinc/94/06/57/633940657.db2.gz JRYMDBGVJYSSCU-IKGGRYGDSA-N 2 1 296.499 3.290 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](CC)[C@H]1CCCOC1)[NH+](C)C ZINC000872021850 633942574 /nfs/dbraw/zinc/94/25/74/633942574.db2.gz SGLSGUQJNNTFEG-BBWFWOEESA-N 2 1 284.488 3.148 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]CCCn1cc[nH+]c1C ZINC000872025619 633945586 /nfs/dbraw/zinc/94/55/86/633945586.db2.gz QEBVGRAIINJWGM-GFCCVEGCSA-N 2 1 277.334 3.292 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)CC ZINC000872025641 633946063 /nfs/dbraw/zinc/94/60/63/633946063.db2.gz QRLQZIBSRWXGBV-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872027336 633947257 /nfs/dbraw/zinc/94/72/57/633947257.db2.gz KXDWCUFOUFNVHW-QZWWFDLISA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872027336 633947261 /nfs/dbraw/zinc/94/72/61/633947261.db2.gz KXDWCUFOUFNVHW-QZWWFDLISA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872033898 633953253 /nfs/dbraw/zinc/95/32/53/633953253.db2.gz JZYNFXGCKHRXFX-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872037958 633957792 /nfs/dbraw/zinc/95/77/92/633957792.db2.gz HMQASUUJHJDCQR-MRXNPFEDSA-N 2 1 291.439 3.053 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000872076421 633999177 /nfs/dbraw/zinc/99/91/77/633999177.db2.gz LFAPUGXJJBBGQD-WODVXLOZSA-N 2 1 278.362 3.322 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000872087295 634012737 /nfs/dbraw/zinc/01/27/37/634012737.db2.gz IEQBEYMEYDLUJH-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCCc2sccc2C1 ZINC000846218319 636161140 /nfs/dbraw/zinc/16/11/40/636161140.db2.gz QPOPQUIVQIRGAP-UHFFFAOYSA-N 2 1 252.427 3.015 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000846218517 636161210 /nfs/dbraw/zinc/16/12/10/636161210.db2.gz QCACCJQHHQAOIT-KRWDZBQOSA-N 2 1 260.425 3.070 20 0 CGADMP COCCCCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156294 634066731 /nfs/dbraw/zinc/06/67/31/634066731.db2.gz HMIMOSQNFIZBBL-AEFFLSMTSA-N 2 1 296.499 3.423 20 0 CGADMP Cc1cnc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156653 634067166 /nfs/dbraw/zinc/06/71/66/634067166.db2.gz KXZIIRUNNYTBJP-GOEBONIOSA-N 2 1 291.439 3.103 20 0 CGADMP Cc1conc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157717 634067948 /nfs/dbraw/zinc/06/79/48/634067948.db2.gz PVWHMKKKCKBGKF-GOEBONIOSA-N 2 1 291.439 3.103 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2ncccc12 ZINC000873043476 634235999 /nfs/dbraw/zinc/23/59/99/634235999.db2.gz OKJYFGXUBYFDJP-CQSZACIVSA-N 2 1 294.402 3.166 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834895141 634272162 /nfs/dbraw/zinc/27/21/62/634272162.db2.gz ZWFIEVGQVBAQEH-WWTUQBGBSA-N 2 1 276.399 3.410 20 0 CGADMP COc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000873223908 634290400 /nfs/dbraw/zinc/29/04/00/634290400.db2.gz UKJAQJOGEXKDAU-KRWDZBQOSA-N 2 1 294.414 3.031 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(F)c1 ZINC000873223908 634290404 /nfs/dbraw/zinc/29/04/04/634290404.db2.gz UKJAQJOGEXKDAU-KRWDZBQOSA-N 2 1 294.414 3.031 20 0 CGADMP CC1(C)CC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)[NH2+]C1 ZINC000873237373 634296907 /nfs/dbraw/zinc/29/69/07/634296907.db2.gz PDWHVRGOOJYYCP-BPCQOVAHSA-N 2 1 292.389 3.475 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)nc1 ZINC000873295919 634323783 /nfs/dbraw/zinc/32/37/83/634323783.db2.gz BECQYAWGWTZYEA-MDFVCYEDSA-N 2 1 299.340 3.034 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)SC)C[C@@H]1C ZINC000876760088 634893486 /nfs/dbraw/zinc/89/34/86/634893486.db2.gz RZMJHHLDEWETOQ-KBPBESRZSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)SC)C[C@@H]1C ZINC000876760088 634893488 /nfs/dbraw/zinc/89/34/88/634893488.db2.gz RZMJHHLDEWETOQ-KBPBESRZSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)SC)C[C@@H]1C ZINC000876760088 634893493 /nfs/dbraw/zinc/89/34/93/634893493.db2.gz RZMJHHLDEWETOQ-KBPBESRZSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(C)(C)SC)C1 ZINC000876770561 634896606 /nfs/dbraw/zinc/89/66/06/634896606.db2.gz HMDOCFDYPUFVDE-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000876811979 634905193 /nfs/dbraw/zinc/90/51/93/634905193.db2.gz PCBHYHVYZHLCHJ-ZBFHGGJFSA-N 2 1 296.524 3.467 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000876811979 634905202 /nfs/dbraw/zinc/90/52/02/634905202.db2.gz PCBHYHVYZHLCHJ-ZBFHGGJFSA-N 2 1 296.524 3.467 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876811979 634905209 /nfs/dbraw/zinc/90/52/09/634905209.db2.gz PCBHYHVYZHLCHJ-ZBFHGGJFSA-N 2 1 296.524 3.467 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000877525332 635071946 /nfs/dbraw/zinc/07/19/46/635071946.db2.gz ZPIOEPDQDBGUOA-AEFFLSMTSA-N 2 1 274.452 3.246 20 0 CGADMP COc1cccc2cc(C[NH2+]CC3([NH3+])CCCCC3)oc21 ZINC000841039661 635112223 /nfs/dbraw/zinc/11/22/23/635112223.db2.gz YHQYTODOHDFXQR-UHFFFAOYSA-N 2 1 288.391 3.193 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743629 635178853 /nfs/dbraw/zinc/17/88/53/635178853.db2.gz LQBBGCXWKSKKKG-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743629 635178857 /nfs/dbraw/zinc/17/88/57/635178857.db2.gz LQBBGCXWKSKKKG-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743629 635178862 /nfs/dbraw/zinc/17/88/62/635178862.db2.gz LQBBGCXWKSKKKG-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877743629 635178870 /nfs/dbraw/zinc/17/88/70/635178870.db2.gz LQBBGCXWKSKKKG-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744975 635179872 /nfs/dbraw/zinc/17/98/72/635179872.db2.gz YTYZUBYQFLIXDJ-WMZOPIPTSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744975 635179875 /nfs/dbraw/zinc/17/98/75/635179875.db2.gz YTYZUBYQFLIXDJ-WMZOPIPTSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744975 635179879 /nfs/dbraw/zinc/17/98/79/635179879.db2.gz YTYZUBYQFLIXDJ-WMZOPIPTSA-N 2 1 270.420 3.090 20 0 CGADMP C([C@H]1CCC2(CCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000877972312 635298431 /nfs/dbraw/zinc/29/84/31/635298431.db2.gz ZFMUCZBQJGYQMR-QGZVFWFLSA-N 2 1 292.467 3.038 20 0 CGADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000878132999 635371734 /nfs/dbraw/zinc/37/17/34/635371734.db2.gz DWWGHPOQENGCTG-SJORKVTESA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2CCCCCCC[NH3+])on1 ZINC000842472463 635377935 /nfs/dbraw/zinc/37/79/35/635377935.db2.gz YMDLHHCSRVXDDG-AWEZNQCLSA-N 2 1 265.401 3.029 20 0 CGADMP COc1ccc([C@@H]2CC[N@@H+](CCCCCCC[NH3+])C2)cc1 ZINC000842472082 635378180 /nfs/dbraw/zinc/37/81/80/635378180.db2.gz PXUJMSGISOZZBM-QGZVFWFLSA-N 2 1 290.451 3.394 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCCC2(F)F)CC1 ZINC000878164208 635388475 /nfs/dbraw/zinc/38/84/75/635388475.db2.gz BOGWCPXAULVPKA-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCCC2(F)F)CC1 ZINC000878164208 635388480 /nfs/dbraw/zinc/38/84/80/635388480.db2.gz BOGWCPXAULVPKA-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CCC([NH3+])CC1 ZINC000843055887 635553925 /nfs/dbraw/zinc/55/39/25/635553925.db2.gz RFGVUNYKXSXXKG-UHFFFAOYSA-N 2 1 295.430 3.450 20 0 CGADMP Fc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1F ZINC000843062218 635555306 /nfs/dbraw/zinc/55/53/06/635555306.db2.gz NLBIULBIFOIFOO-BLLLJJGKSA-N 2 1 280.362 3.101 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1F ZINC000843062218 635555311 /nfs/dbraw/zinc/55/53/11/635555311.db2.gz NLBIULBIFOIFOO-BLLLJJGKSA-N 2 1 280.362 3.101 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(CF)cc3)C2)CC1 ZINC000878867880 635646479 /nfs/dbraw/zinc/64/64/79/635646479.db2.gz YETYQOGZFGRFBU-UHFFFAOYSA-N 2 1 276.399 3.074 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000843355450 635652636 /nfs/dbraw/zinc/65/26/36/635652636.db2.gz POVJNYFUVNHUEG-QVOMUQBLSA-N 2 1 252.446 3.405 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccccc1Cl ZINC000843361329 635654092 /nfs/dbraw/zinc/65/40/92/635654092.db2.gz FKGKNEXNFBZVSS-AGUYFDCRSA-N 2 1 294.826 3.063 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccccc1Cl ZINC000843361329 635654094 /nfs/dbraw/zinc/65/40/94/635654094.db2.gz FKGKNEXNFBZVSS-AGUYFDCRSA-N 2 1 294.826 3.063 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCc3ccccc3)CC[C@@H]21 ZINC000879580693 635815219 /nfs/dbraw/zinc/81/52/19/635815219.db2.gz JICGPGYJPYWDEL-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCCCc3ccccc3)CC[C@@H]21 ZINC000879580693 635815223 /nfs/dbraw/zinc/81/52/23/635815223.db2.gz JICGPGYJPYWDEL-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000879580693 635815227 /nfs/dbraw/zinc/81/52/27/635815227.db2.gz JICGPGYJPYWDEL-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000879580693 635815231 /nfs/dbraw/zinc/81/52/31/635815231.db2.gz JICGPGYJPYWDEL-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667065 635830077 /nfs/dbraw/zinc/83/00/77/635830077.db2.gz AHMXPINYVOEFFL-BFHYXJOUSA-N 2 1 290.373 3.348 20 0 CGADMP CC(C)C[N@@H+](CCC[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000879703014 635838971 /nfs/dbraw/zinc/83/89/71/635838971.db2.gz CGQZUEYTKQCBOU-GOSISDBHSA-N 2 1 296.499 3.103 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@@H](CF)C1)[NH+]1CCC[C@H](CF)C1 ZINC000880233911 635945987 /nfs/dbraw/zinc/94/59/87/635945987.db2.gz AORPDEXHMZSZEU-OWCLPIDISA-N 2 1 288.426 3.128 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@@H](CF)C1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880233911 635945990 /nfs/dbraw/zinc/94/59/90/635945990.db2.gz AORPDEXHMZSZEU-OWCLPIDISA-N 2 1 288.426 3.128 20 0 CGADMP C[C@H](CC[NH+]1CCC[C@@H](CF)C1)[N@H+]1CCC[C@H](CF)C1 ZINC000880233911 635945993 /nfs/dbraw/zinc/94/59/93/635945993.db2.gz AORPDEXHMZSZEU-OWCLPIDISA-N 2 1 288.426 3.128 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259392 635959963 /nfs/dbraw/zinc/95/99/63/635959963.db2.gz RSOZHYJAQPYTBS-UONOGXRCSA-N 2 1 297.393 3.274 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000848912122 636687624 /nfs/dbraw/zinc/68/76/24/636687624.db2.gz BGIHFFWXJOJCNZ-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000848912122 636687627 /nfs/dbraw/zinc/68/76/27/636687627.db2.gz BGIHFFWXJOJCNZ-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)c1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000848912122 636687628 /nfs/dbraw/zinc/68/76/28/636687628.db2.gz BGIHFFWXJOJCNZ-SFHVURJKSA-N 2 1 272.436 3.338 20 0 CGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[N@@H+](C)C(C)C)cc1 ZINC000849000895 636711508 /nfs/dbraw/zinc/71/15/08/636711508.db2.gz BYFFDHHUHOMIDX-CQSZACIVSA-N 2 1 290.455 3.477 20 0 CGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000849027909 636721735 /nfs/dbraw/zinc/72/17/35/636721735.db2.gz QKARYKXULVIDLZ-INIZCTEOSA-N 2 1 288.439 3.114 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000131729740 636744434 /nfs/dbraw/zinc/74/44/34/636744434.db2.gz BQCPQBUIMDNEGY-ZFWWWQNUSA-N 2 1 260.425 3.153 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2ccns2)C1)C1CCCC1 ZINC000883440890 636758126 /nfs/dbraw/zinc/75/81/26/636758126.db2.gz BYVYMCXIMMLXBQ-CJNGLKHVSA-N 2 1 293.480 3.263 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883462237 636760730 /nfs/dbraw/zinc/76/07/30/636760730.db2.gz MPVPBWDMRLUCTA-KRWDZBQOSA-N 2 1 282.472 3.034 20 0 CGADMP C1=C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000850359973 637028232 /nfs/dbraw/zinc/02/82/32/637028232.db2.gz XVXKCUYWKVJXLL-MSOLQXFVSA-N 2 1 282.431 3.492 20 0 CGADMP C1=C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000850359973 637028247 /nfs/dbraw/zinc/02/82/47/637028247.db2.gz XVXKCUYWKVJXLL-MSOLQXFVSA-N 2 1 282.431 3.492 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434405 637060801 /nfs/dbraw/zinc/06/08/01/637060801.db2.gz XMSGLULKXIQSBX-CABCVRRESA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc2cnccc2o1 ZINC000850440079 637065169 /nfs/dbraw/zinc/06/51/69/637065169.db2.gz SHXCJJJTGCZGFJ-AEGPPILISA-N 2 1 287.407 3.351 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Cl)cn1 ZINC000885923373 637313325 /nfs/dbraw/zinc/31/33/25/637313325.db2.gz YRNWFXKPTNXZRT-AWEZNQCLSA-N 2 1 295.858 3.479 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCCCC2)C[C@@H]1C ZINC000886032543 637376056 /nfs/dbraw/zinc/37/60/56/637376056.db2.gz IPGUHNSXABXJRT-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CCCCC2)C[C@@H]1C ZINC000886032543 637376065 /nfs/dbraw/zinc/37/60/65/637376065.db2.gz IPGUHNSXABXJRT-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CCCCC2)C[C@@H]1C ZINC000886032543 637376072 /nfs/dbraw/zinc/37/60/72/637376072.db2.gz IPGUHNSXABXJRT-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886142851 637432819 /nfs/dbraw/zinc/43/28/19/637432819.db2.gz MMHROVCOZDOIHQ-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCC[C@H]3CCOC3)CC2)[nH+]c1C ZINC000886659122 637637162 /nfs/dbraw/zinc/63/71/62/637637162.db2.gz DCVQXVZLUGQILN-HNNXBMFYSA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C)c(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)o1 ZINC000886662379 637639883 /nfs/dbraw/zinc/63/98/83/637639883.db2.gz CMEZLUGIMMXGOT-UHFFFAOYSA-N 2 1 288.395 3.011 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1ccc(F)cc1F ZINC000886896915 637718269 /nfs/dbraw/zinc/71/82/69/637718269.db2.gz YQBIPQAAWQJANW-UHFFFAOYSA-N 2 1 293.361 3.156 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2[nH+]ccc3c(N)cccc32)C1 ZINC000853412157 637839066 /nfs/dbraw/zinc/83/90/66/637839066.db2.gz WZSMQYCNKHVOPV-CHWSQXEVSA-N 2 1 284.407 3.102 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000223191660 637852015 /nfs/dbraw/zinc/85/20/15/637852015.db2.gz ALEUAPMPYMEGNW-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000854222542 638025663 /nfs/dbraw/zinc/02/56/63/638025663.db2.gz ILRGMHXAHDIIBY-BRSBDYLESA-N 2 1 272.436 3.156 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@@H]1CCCO)C(C)C ZINC000924557323 638362035 /nfs/dbraw/zinc/36/20/35/638362035.db2.gz SJTWBFMLKPDIBO-IAGOWNOFSA-N 2 1 284.488 3.026 20 0 CGADMP CC[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000924660722 638386092 /nfs/dbraw/zinc/38/60/92/638386092.db2.gz ZRXKLCYKADNZGZ-CRAIPNDOSA-N 2 1 290.451 3.041 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688293 638388043 /nfs/dbraw/zinc/38/80/43/638388043.db2.gz SPBCIOKFHRSUOD-SQNIBIBYSA-N 2 1 296.499 3.149 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)C1 ZINC000924704981 638392420 /nfs/dbraw/zinc/39/24/20/638392420.db2.gz JKRLEGXJXHVSFE-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924918666 638423789 /nfs/dbraw/zinc/42/37/89/638423789.db2.gz XHANGNWCUFRVKU-LZLYRXPVSA-N 2 1 289.467 3.113 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924918666 638423795 /nfs/dbraw/zinc/42/37/95/638423795.db2.gz XHANGNWCUFRVKU-LZLYRXPVSA-N 2 1 289.467 3.113 20 0 CGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000925495288 638511962 /nfs/dbraw/zinc/51/19/62/638511962.db2.gz NUYONXPMWMJVAK-AUUYWEPGSA-N 2 1 293.414 3.389 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1 ZINC000925513929 638515619 /nfs/dbraw/zinc/51/56/19/638515619.db2.gz ISKYRJRPKAHYSV-YVEFUNNKSA-N 2 1 258.409 3.101 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(F)c1 ZINC000925522095 638517427 /nfs/dbraw/zinc/51/74/27/638517427.db2.gz QYHCDHUCYHTBNJ-WBVHZDCISA-N 2 1 294.389 3.223 20 0 CGADMP Cc1csc(C2([NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)CCC2)n1 ZINC000925592440 638540541 /nfs/dbraw/zinc/54/05/41/638540541.db2.gz GXNORQZCSPKQNQ-STQMWFEESA-N 2 1 293.480 3.326 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1ccccc1 ZINC000925609868 638543930 /nfs/dbraw/zinc/54/39/30/638543930.db2.gz WUCGVVFIBPDQBJ-LBTNJELSSA-N 2 1 284.403 3.001 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000925760990 638600679 /nfs/dbraw/zinc/60/06/79/638600679.db2.gz WIWKSLMUIDCAQB-SFHVURJKSA-N 2 1 295.430 3.374 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc2ccccc2[nH]1 ZINC000925805422 638617991 /nfs/dbraw/zinc/61/79/91/638617991.db2.gz IKRJEUUJDNCVAQ-TZMCWYRMSA-N 2 1 280.375 3.030 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925807713 638619497 /nfs/dbraw/zinc/61/94/97/638619497.db2.gz WTHDKCRUDWCVNY-BFHYXJOUSA-N 2 1 261.413 3.002 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2F)CC1(C)C ZINC000858089110 638624505 /nfs/dbraw/zinc/62/45/05/638624505.db2.gz FVOSAJKDLPPDGM-CQSZACIVSA-N 2 1 294.414 3.057 20 0 CGADMP CC(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000858245103 638662812 /nfs/dbraw/zinc/66/28/12/638662812.db2.gz BZVCZTTWWAGBSY-ZDUSSCGKSA-N 2 1 281.469 3.088 20 0 CGADMP CC(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000858245103 638662818 /nfs/dbraw/zinc/66/28/18/638662818.db2.gz BZVCZTTWWAGBSY-ZDUSSCGKSA-N 2 1 281.469 3.088 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926455557 638773002 /nfs/dbraw/zinc/77/30/02/638773002.db2.gz HRHISRZDEHHMKF-BBWFWOEESA-N 2 1 284.488 3.028 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926455557 638773004 /nfs/dbraw/zinc/77/30/04/638773004.db2.gz HRHISRZDEHHMKF-BBWFWOEESA-N 2 1 284.488 3.028 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926459314 638773493 /nfs/dbraw/zinc/77/34/93/638773493.db2.gz YRHHKMRFDUSSMB-AVOUXACISA-N 2 1 270.486 3.123 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926459314 638773495 /nfs/dbraw/zinc/77/34/95/638773495.db2.gz YRHHKMRFDUSSMB-AVOUXACISA-N 2 1 270.486 3.123 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)Cc1ccccn1 ZINC000926504515 638779017 /nfs/dbraw/zinc/77/90/17/638779017.db2.gz UOKPJOSZWKVBFT-AEFFLSMTSA-N 2 1 289.467 3.113 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C/C=C(/C)COC)CC1 ZINC000929294641 638916628 /nfs/dbraw/zinc/91/66/28/638916628.db2.gz CWUQHEWIDANTSH-APSNUPSMSA-N 2 1 282.472 3.023 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2CF)CCN1C ZINC000929779573 638950702 /nfs/dbraw/zinc/95/07/02/638950702.db2.gz BJDVMLHUIVCPTA-XJKSGUPXSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2CF)CC[NH+]1C ZINC000929779573 638950705 /nfs/dbraw/zinc/95/07/05/638950705.db2.gz BJDVMLHUIVCPTA-XJKSGUPXSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2CF)CC[NH+]1C ZINC000929779573 638950706 /nfs/dbraw/zinc/95/07/06/638950706.db2.gz BJDVMLHUIVCPTA-XJKSGUPXSA-N 2 1 264.388 3.071 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3CF)C2)C1 ZINC000930576401 639031122 /nfs/dbraw/zinc/03/11/22/639031122.db2.gz JUDDJRAXKZMAPO-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3CF)C2)C1 ZINC000930576401 639031127 /nfs/dbraw/zinc/03/11/27/639031127.db2.gz JUDDJRAXKZMAPO-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3CF)C2)C1 ZINC000930576401 639031133 /nfs/dbraw/zinc/03/11/33/639031133.db2.gz JUDDJRAXKZMAPO-KRWDZBQOSA-N 2 1 276.399 3.074 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](CCSC3CCCCC3)C[C@@]2(C)C1 ZINC000931313480 639133199 /nfs/dbraw/zinc/13/31/99/639133199.db2.gz BUTGDVGGOROFRW-IAGOWNOFSA-N 2 1 296.524 3.326 20 0 CGADMP COc1ccccc1CCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354421 639139971 /nfs/dbraw/zinc/13/99/71/639139971.db2.gz LDQSCKIUYAHOGW-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436018 639148711 /nfs/dbraw/zinc/14/87/11/639148711.db2.gz JTQIPVKGPIPZHA-RWMBFGLXSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436018 639148715 /nfs/dbraw/zinc/14/87/15/639148715.db2.gz JTQIPVKGPIPZHA-RWMBFGLXSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@@H](c1cccc(Cl)c1F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436018 639148718 /nfs/dbraw/zinc/14/87/18/639148718.db2.gz JTQIPVKGPIPZHA-RWMBFGLXSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@@H](c1cccc(Cl)c1F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436018 639148722 /nfs/dbraw/zinc/14/87/22/639148722.db2.gz JTQIPVKGPIPZHA-RWMBFGLXSA-N 2 1 296.817 3.424 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437469 639148973 /nfs/dbraw/zinc/14/89/73/639148973.db2.gz CJZYXKXWYVHFES-ZMSDIMECSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437469 639148976 /nfs/dbraw/zinc/14/89/76/639148976.db2.gz CJZYXKXWYVHFES-ZMSDIMECSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437469 639148978 /nfs/dbraw/zinc/14/89/78/639148978.db2.gz CJZYXKXWYVHFES-ZMSDIMECSA-N 2 1 276.399 3.160 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(F)(C2CC2)CC1 ZINC000932627044 639367999 /nfs/dbraw/zinc/36/79/99/639367999.db2.gz NVUXYKUUCRNDBR-UHFFFAOYSA-N 2 1 279.403 3.186 20 0 CGADMP C[C@@H](CC[NH2+]C[C@@H]1CCC=CO1)[N@@H+](C)Cc1ccccc1 ZINC000194497240 640535654 /nfs/dbraw/zinc/53/56/54/640535654.db2.gz BNDHXASSAFWUSY-WMZOPIPTSA-N 2 1 288.435 3.179 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCCCCCC1 ZINC000093088993 640755359 /nfs/dbraw/zinc/75/53/59/640755359.db2.gz NGJQBCPTKUDWDE-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251766129 640832767 /nfs/dbraw/zinc/83/27/67/640832767.db2.gz MDXXUTZUDXKZPI-WTXIUTQJSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415146563 640859999 /nfs/dbraw/zinc/85/99/99/640859999.db2.gz YZDZMQCHJFFUOO-ROUUACIJSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415146563 640860001 /nfs/dbraw/zinc/86/00/01/640860001.db2.gz YZDZMQCHJFFUOO-ROUUACIJSA-N 2 1 272.436 3.254 20 0 CGADMP COc1cc(N(C)CC2CC[NH+](C)CC2)[nH+]c2ccccc21 ZINC001165043207 721935415 /nfs/dbraw/zinc/93/54/15/721935415.db2.gz QKSRACNOAUPKNY-UHFFFAOYSA-N 2 1 299.418 3.021 20 0 CGADMP C[C@H](C[NH+](C)C)Nc1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001155920152 805625141 /nfs/dbraw/zinc/62/51/41/805625141.db2.gz AHTSLPITAVIHLC-CQSZACIVSA-N 2 1 298.434 3.197 20 0 CGADMP c1[nH]c2ccc(Nc3ccc([C@@H]4CC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159775830 806170831 /nfs/dbraw/zinc/17/08/31/806170831.db2.gz NDVGWQXXSWPNED-CYBMUJFWSA-N 2 1 278.359 3.383 20 0 CGADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001253186998 806181546 /nfs/dbraw/zinc/18/15/46/806181546.db2.gz ANPNWIVTRSSYDW-JCYILVPMSA-N 2 1 298.515 3.226 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cccc(F)c1 ZINC001253407716 806215634 /nfs/dbraw/zinc/21/56/34/806215634.db2.gz OKCCBVUAYCWMLH-JKSUJKDBSA-N 2 1 296.430 3.006 20 0 CGADMP CCc1cc(NC2CC[NH+](C(CC)CC)CC2)nc(C)[nH+]1 ZINC001161098263 806349513 /nfs/dbraw/zinc/34/95/13/806349513.db2.gz JMJFNDFRPDVIFK-UHFFFAOYSA-N 2 1 290.455 3.412 20 0 CGADMP c1cc2c[nH+]c(N[C@H]3CC[N@H+](CC4CCCC4)C3)cc2[nH]1 ZINC001161181318 806357124 /nfs/dbraw/zinc/35/71/24/806357124.db2.gz PSHIZWUFVFHCPX-HNNXBMFYSA-N 2 1 284.407 3.239 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC001254500723 806420984 /nfs/dbraw/zinc/42/09/84/806420984.db2.gz KBLGPFKGJPGDMH-YYUOFMGYSA-N 2 1 262.441 3.029 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001254505863 806424489 /nfs/dbraw/zinc/42/44/89/806424489.db2.gz KEQMPWJZUHKIRH-ZBFHGGJFSA-N 2 1 293.842 3.260 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254505099 806425964 /nfs/dbraw/zinc/42/59/64/806425964.db2.gz ZJVUIEKVDKFXPQ-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC001254508776 806426810 /nfs/dbraw/zinc/42/68/10/806426810.db2.gz LXWRCRYYWRXXCB-MRXNPFEDSA-N 2 1 276.399 3.279 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c(F)c1F ZINC001254508193 806427566 /nfs/dbraw/zinc/42/75/66/806427566.db2.gz HZCZRXDFENERPG-STQMWFEESA-N 2 1 282.378 3.408 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c(F)c1F ZINC001254508193 806427571 /nfs/dbraw/zinc/42/75/71/806427571.db2.gz HZCZRXDFENERPG-STQMWFEESA-N 2 1 282.378 3.408 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC001254507749 806428085 /nfs/dbraw/zinc/42/80/85/806428085.db2.gz CWCSNOQGRNEVQT-KRWDZBQOSA-N 2 1 258.409 3.138 20 0 CGADMP COc1ccc(CC(C)(C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254510019 806429768 /nfs/dbraw/zinc/42/97/68/806429768.db2.gz LKDGPAUIYUWIJU-INIZCTEOSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510769 806431396 /nfs/dbraw/zinc/43/13/96/806431396.db2.gz QKSDGEBFXMKSQH-DOTOQJQBSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522123 806437942 /nfs/dbraw/zinc/43/79/42/806437942.db2.gz CJBZPOSNXDOEBN-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522123 806437945 /nfs/dbraw/zinc/43/79/45/806437945.db2.gz CJBZPOSNXDOEBN-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP C[NH+](Cc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522123 806437950 /nfs/dbraw/zinc/43/79/50/806437950.db2.gz CJBZPOSNXDOEBN-OAHLLOKOSA-N 2 1 266.816 3.256 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2CCSC2)CC1 ZINC001255278170 806591468 /nfs/dbraw/zinc/59/14/68/806591468.db2.gz BWLCHDFZZUVEGM-BZUAXINKSA-N 2 1 282.497 3.254 20 0 CGADMP CCCC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001255327092 806613384 /nfs/dbraw/zinc/61/33/84/806613384.db2.gz XMMLTPFEIQAFPO-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001255327092 806613388 /nfs/dbraw/zinc/61/33/88/806613388.db2.gz XMMLTPFEIQAFPO-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001255327092 806613391 /nfs/dbraw/zinc/61/33/91/806613391.db2.gz XMMLTPFEIQAFPO-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001255327092 806613393 /nfs/dbraw/zinc/61/33/93/806613393.db2.gz XMMLTPFEIQAFPO-ZWKOTPCHSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)OCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382015 806630002 /nfs/dbraw/zinc/63/00/02/806630002.db2.gz RSTLLHILOXNNLU-SFHVURJKSA-N 2 1 290.451 3.056 20 0 CGADMP COC(C)(C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384273 806631025 /nfs/dbraw/zinc/63/10/25/806631025.db2.gz XCGHAHZTAJRTSC-KRWDZBQOSA-N 2 1 290.451 3.056 20 0 CGADMP CC1(C)C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255399168 806633987 /nfs/dbraw/zinc/63/39/87/806633987.db2.gz NYYWIFLHCZXEJE-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP COC1CCC([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255453826 806642189 /nfs/dbraw/zinc/64/21/89/806642189.db2.gz IRAXZYQDIOPFAY-OJHJNGDYSA-N 2 1 282.472 3.172 20 0 CGADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCOC(C)(C)C1 ZINC001255536885 806668131 /nfs/dbraw/zinc/66/81/31/806668131.db2.gz MLPUXGOSWSLBHF-JYJNAYRXSA-N 2 1 282.472 3.172 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCO1 ZINC001255542890 806669359 /nfs/dbraw/zinc/66/93/59/806669359.db2.gz NFSAWAYFFDZGIH-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP COC[C@@H](C)[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255565547 806675135 /nfs/dbraw/zinc/67/51/35/806675135.db2.gz SSCOFXQKHNKGGW-KBAYOESNSA-N 2 1 290.451 3.102 20 0 CGADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+]C1CCCCCCC1 ZINC000036996502 798855836 /nfs/dbraw/zinc/85/58/36/798855836.db2.gz BIHQGZWVNKITEY-JKSUJKDBSA-N 2 1 250.430 3.316 20 0 CGADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+]C1CCCCCCC1 ZINC000036996502 798855840 /nfs/dbraw/zinc/85/58/40/798855840.db2.gz BIHQGZWVNKITEY-JKSUJKDBSA-N 2 1 250.430 3.316 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644615 798871382 /nfs/dbraw/zinc/87/13/82/798871382.db2.gz FKORKZIXOQEVAN-PBHICJAKSA-N 2 1 288.435 3.004 20 0 CGADMP CC(C)c1cccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)[nH+]1 ZINC001163056329 806697910 /nfs/dbraw/zinc/69/79/10/806697910.db2.gz DLNFYWJDBFVWJL-HNNXBMFYSA-N 2 1 298.434 3.228 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001255673427 806701393 /nfs/dbraw/zinc/70/13/93/806701393.db2.gz AAHVLIZECFJKBA-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001255673427 806701400 /nfs/dbraw/zinc/70/14/00/806701400.db2.gz AAHVLIZECFJKBA-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001255673427 806701407 /nfs/dbraw/zinc/70/14/07/806701407.db2.gz AAHVLIZECFJKBA-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001255673427 806701415 /nfs/dbraw/zinc/70/14/15/806701415.db2.gz AAHVLIZECFJKBA-DNLWUEFJSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@H]1C ZINC001255673430 806701854 /nfs/dbraw/zinc/70/18/54/806701854.db2.gz AAHVLIZECFJKBA-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@H]1C ZINC001255673430 806701855 /nfs/dbraw/zinc/70/18/55/806701855.db2.gz AAHVLIZECFJKBA-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@@H]1C ZINC001255673430 806701856 /nfs/dbraw/zinc/70/18/56/806701856.db2.gz AAHVLIZECFJKBA-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@@H]1C ZINC001255673430 806701857 /nfs/dbraw/zinc/70/18/57/806701857.db2.gz AAHVLIZECFJKBA-UIJGJVKASA-N 2 1 264.457 3.370 20 0 CGADMP COc1ccc(C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255675902 806702951 /nfs/dbraw/zinc/70/29/51/806702951.db2.gz JLJLJBJJGWTCSV-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255675902 806702952 /nfs/dbraw/zinc/70/29/52/806702952.db2.gz JLJLJBJJGWTCSV-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255675902 806702955 /nfs/dbraw/zinc/70/29/55/806702955.db2.gz JLJLJBJJGWTCSV-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255675902 806702958 /nfs/dbraw/zinc/70/29/58/806702958.db2.gz JLJLJBJJGWTCSV-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccccc1C[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680100 806703339 /nfs/dbraw/zinc/70/33/39/806703339.db2.gz GXGOZDAUXXDPKB-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccccc1C[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680100 806703346 /nfs/dbraw/zinc/70/33/46/806703346.db2.gz GXGOZDAUXXDPKB-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccccc1C[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680100 806703352 /nfs/dbraw/zinc/70/33/52/806703352.db2.gz GXGOZDAUXXDPKB-SJPCQFCGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](CC)c1ccc(Nc2cc[nH+]c(N)c2)cc1 ZINC000156678405 799066460 /nfs/dbraw/zinc/06/64/60/799066460.db2.gz RNMHKISJSNFKTM-UHFFFAOYSA-N 2 1 256.353 3.254 20 0 CGADMP CCc1cccc2c(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c[nH]c21 ZINC000163394249 799082424 /nfs/dbraw/zinc/08/24/24/799082424.db2.gz DIRZVVFCWAYYTC-DZGCQCFKSA-N 2 1 285.435 3.147 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000312450265 799227738 /nfs/dbraw/zinc/22/77/38/799227738.db2.gz OMZCMPDXHXIBRP-UHFFFAOYSA-N 2 1 271.408 3.279 20 0 CGADMP Cc1[nH+]c2ccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cc2n1C(C)C ZINC001163267404 806734406 /nfs/dbraw/zinc/73/44/06/806734406.db2.gz QTULEZMZEVALGE-KBMXLJTQSA-N 2 1 298.434 3.336 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC000380772396 799366699 /nfs/dbraw/zinc/36/66/99/799366699.db2.gz CWNNACHCMNKAIQ-LBPRGKRZSA-N 2 1 291.826 3.382 20 0 CGADMP Cc1cc(C)[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001163356210 806744729 /nfs/dbraw/zinc/74/47/29/806744729.db2.gz AJLJPGZVNBBHFO-DZGCQCFKSA-N 2 1 261.413 3.229 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000381860216 799389012 /nfs/dbraw/zinc/38/90/12/799389012.db2.gz MDHKBQOZBFIMSG-NXSPZCGBSA-N 2 1 264.457 3.260 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000382510053 799395971 /nfs/dbraw/zinc/39/59/71/799395971.db2.gz QXGOCIZYIJGUPC-HNNXBMFYSA-N 2 1 258.409 3.125 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](Nc2ccc3c([nH+]2)CCC3)[C@H](C)C1 ZINC001163362990 806747482 /nfs/dbraw/zinc/74/74/82/806747482.db2.gz OYAOHSSTYHKGPW-UKRRQHHQSA-N 2 1 273.424 3.101 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2ccc3c([nH+]2)CCC3)[C@H](C)C1 ZINC001163362990 806747483 /nfs/dbraw/zinc/74/74/83/806747483.db2.gz OYAOHSSTYHKGPW-UKRRQHHQSA-N 2 1 273.424 3.101 20 0 CGADMP C[C@H]1CC([NH+]2CCC3(CCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000385458425 799426272 /nfs/dbraw/zinc/42/62/72/799426272.db2.gz GKHNKERHQJNMCR-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC34CC5CC(CC(C5)C3)C4)C[C@H]12 ZINC000385802175 799429277 /nfs/dbraw/zinc/42/92/77/799429277.db2.gz LUSCHNLWUZZJEB-NUOQZBGQSA-N 2 1 288.479 3.262 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC001255791193 806754199 /nfs/dbraw/zinc/75/41/99/806754199.db2.gz BADMBOHMVWFCAT-MRXNPFEDSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC001255791193 806754202 /nfs/dbraw/zinc/75/42/02/806754202.db2.gz BADMBOHMVWFCAT-MRXNPFEDSA-N 2 1 274.452 3.342 20 0 CGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000399155296 799536142 /nfs/dbraw/zinc/53/61/42/799536142.db2.gz ZECKXISGYUAZRY-MOTUXRJWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001255874925 806778629 /nfs/dbraw/zinc/77/86/29/806778629.db2.gz DSQHXUDOCKZYDG-OAHLLOKOSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001255878691 806780880 /nfs/dbraw/zinc/78/08/80/806780880.db2.gz QTNYJZPLMOERBA-CQSZACIVSA-N 2 1 290.426 3.315 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001255878691 806780883 /nfs/dbraw/zinc/78/08/83/806780883.db2.gz QTNYJZPLMOERBA-CQSZACIVSA-N 2 1 290.426 3.315 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000700817618 799880061 /nfs/dbraw/zinc/88/00/61/799880061.db2.gz SREXCXLFQSEBIB-NEPJUHHUSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000700817618 799880069 /nfs/dbraw/zinc/88/00/69/799880069.db2.gz SREXCXLFQSEBIB-NEPJUHHUSA-N 2 1 292.370 3.016 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C1CCC(c2ccccc2)CC1 ZINC000702644179 799910901 /nfs/dbraw/zinc/91/09/01/799910901.db2.gz ITISCFVNJBSKQQ-AKBUMOGYSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C1CCC(c2ccccc2)CC1 ZINC000702644179 799910904 /nfs/dbraw/zinc/91/09/04/799910904.db2.gz ITISCFVNJBSKQQ-AKBUMOGYSA-N 2 1 258.409 3.134 20 0 CGADMP CC(C)CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000703991116 799932508 /nfs/dbraw/zinc/93/25/08/799932508.db2.gz LACCJZFUSYWBBP-MQVJKMGUSA-N 2 1 252.446 3.418 20 0 CGADMP CS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000707278173 799976406 /nfs/dbraw/zinc/97/64/06/799976406.db2.gz FKXKYSJBSJGHPA-HOTGVXAUSA-N 2 1 290.476 3.048 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(F)c1C ZINC001255946954 806792499 /nfs/dbraw/zinc/79/24/99/806792499.db2.gz LGKVUSZFHSRIAN-CYBMUJFWSA-N 2 1 266.404 3.344 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC(C)(C)C1 ZINC000708862661 799997719 /nfs/dbraw/zinc/99/77/19/799997719.db2.gz PIHXUNABCXDRDM-LJISPDSOSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC(C)(C)C1 ZINC000708862661 799997723 /nfs/dbraw/zinc/99/77/23/799997723.db2.gz PIHXUNABCXDRDM-LJISPDSOSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)C[NH2+]1 ZINC000708850884 799997866 /nfs/dbraw/zinc/99/78/66/799997866.db2.gz ROKNWKIJNZYFNQ-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC000709444279 800008342 /nfs/dbraw/zinc/00/83/42/800008342.db2.gz BPTUCAMTYQYZLH-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCC(C)(C)C1 ZINC000709632079 800011030 /nfs/dbraw/zinc/01/10/30/800011030.db2.gz OAGFVFASNMGNBR-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001255950272 806795771 /nfs/dbraw/zinc/79/57/71/806795771.db2.gz GOKGGTCMVWIMGJ-WMLDXEAASA-N 2 1 275.440 3.243 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccsc1Cl ZINC000710803609 800040297 /nfs/dbraw/zinc/04/02/97/800040297.db2.gz JDZOYVQMNHIPDR-UHFFFAOYSA-N 2 1 260.834 3.352 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000710829415 800040406 /nfs/dbraw/zinc/04/04/06/800040406.db2.gz NVFOYMKARCGJHW-UHFFFAOYSA-N 2 1 274.330 3.055 20 0 CGADMP C[C@@H]1c2sccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000712287546 800082697 /nfs/dbraw/zinc/08/26/97/800082697.db2.gz YBVPKKQTQYUNHE-GFCCVEGCSA-N 2 1 252.427 3.186 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001255964068 806801600 /nfs/dbraw/zinc/80/16/00/806801600.db2.gz OBUNJYFWDULQOD-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001255964068 806801606 /nfs/dbraw/zinc/80/16/06/806801606.db2.gz OBUNJYFWDULQOD-ARFHVFGLSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCc1ccccc1OC ZINC001255963846 806802037 /nfs/dbraw/zinc/80/20/37/806802037.db2.gz LNQGENKEYGUZNO-INIZCTEOSA-N 2 1 292.467 3.290 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000718755691 800221794 /nfs/dbraw/zinc/22/17/94/800221794.db2.gz VLZHIYSBMUSTEU-BBWFWOEESA-N 2 1 282.472 3.044 20 0 CGADMP C1CC1N1CCC([N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001256081582 806817187 /nfs/dbraw/zinc/81/71/87/806817187.db2.gz AGKKSDGJGXZMII-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP C1CC1[NH+]1CCC([N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC001256081582 806817193 /nfs/dbraw/zinc/81/71/93/806817193.db2.gz AGKKSDGJGXZMII-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP C1CC1[NH+]1CCC([N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001256081582 806817200 /nfs/dbraw/zinc/81/72/00/806817200.db2.gz AGKKSDGJGXZMII-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C(F)(F)F ZINC000720888861 800270734 /nfs/dbraw/zinc/27/07/34/800270734.db2.gz NNSWCICKAZHSMO-ZIAGYGMSSA-N 2 1 292.389 3.416 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2Cc3ccccc3C[C@H]2CN)C1 ZINC000721525999 800292112 /nfs/dbraw/zinc/29/21/12/800292112.db2.gz TXMJICJAWQJPSX-SJORKVTESA-N 2 1 272.436 3.341 20 0 CGADMP CC1(C)CCC[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC000721525999 800292116 /nfs/dbraw/zinc/29/21/16/800292116.db2.gz TXMJICJAWQJPSX-SJORKVTESA-N 2 1 272.436 3.341 20 0 CGADMP CCCC(CCC)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721637526 800298198 /nfs/dbraw/zinc/29/81/98/800298198.db2.gz BHIMUPFDGXECQU-QGZVFWFLSA-N 2 1 260.425 3.341 20 0 CGADMP CCCC(CCC)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721637526 800298203 /nfs/dbraw/zinc/29/82/03/800298203.db2.gz BHIMUPFDGXECQU-QGZVFWFLSA-N 2 1 260.425 3.341 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)C[C@H]1CC[NH3+] ZINC000723899502 800344050 /nfs/dbraw/zinc/34/40/50/800344050.db2.gz CBWSDQGEABAZEE-CHWSQXEVSA-N 2 1 274.433 3.318 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256145058 806834392 /nfs/dbraw/zinc/83/43/92/806834392.db2.gz WBSUWBIKNIFHLX-INIZCTEOSA-N 2 1 292.467 3.338 20 0 CGADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001256149085 806835429 /nfs/dbraw/zinc/83/54/29/806835429.db2.gz LNKJQFUDHKYOLS-JLSDUUJJSA-N 2 1 290.451 3.089 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000925784467 800633816 /nfs/dbraw/zinc/63/38/16/800633816.db2.gz RXNMDCTXIWHNFF-WFASDCNBSA-N 2 1 298.352 3.038 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521964 806908925 /nfs/dbraw/zinc/90/89/25/806908925.db2.gz GKTMTZUBYMOAKI-LMSBXDPUSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521964 806908926 /nfs/dbraw/zinc/90/89/26/806908926.db2.gz GKTMTZUBYMOAKI-LMSBXDPUSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543647 806912583 /nfs/dbraw/zinc/91/25/83/806912583.db2.gz UOOUNXIWQIHAHG-RHSMWYFYSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543647 806912587 /nfs/dbraw/zinc/91/25/87/806912587.db2.gz UOOUNXIWQIHAHG-RHSMWYFYSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256543647 806912589 /nfs/dbraw/zinc/91/25/89/806912589.db2.gz UOOUNXIWQIHAHG-RHSMWYFYSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256543647 806912592 /nfs/dbraw/zinc/91/25/92/806912592.db2.gz UOOUNXIWQIHAHG-RHSMWYFYSA-N 2 1 258.409 3.134 20 0 CGADMP CC(C)[N@@H+](C1CCOCC1)C1CCN(C(C)(C)C)CC1 ZINC001256577783 806920848 /nfs/dbraw/zinc/92/08/48/806920848.db2.gz UFPSNRXPWLDCCY-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP CC(C)[N@H+](C1CCOCC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577783 806920857 /nfs/dbraw/zinc/92/08/57/806920857.db2.gz UFPSNRXPWLDCCY-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP CC(C)[N@@H+](C1CCOCC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577783 806920862 /nfs/dbraw/zinc/92/08/62/806920862.db2.gz UFPSNRXPWLDCCY-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP Cc1ccccc1C(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621191 806928301 /nfs/dbraw/zinc/92/83/01/806928301.db2.gz MLHQEDXFTDQRCC-MQVJKMGUSA-N 2 1 272.436 3.445 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256624272 806928726 /nfs/dbraw/zinc/92/87/26/806928726.db2.gz WSJFKAYBLHKXNK-KTFSGNIMSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256624272 806928729 /nfs/dbraw/zinc/92/87/29/806928729.db2.gz WSJFKAYBLHKXNK-KTFSGNIMSA-N 2 1 270.420 3.231 20 0 CGADMP C[C@@H]1c2ccccc2CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256624272 806928731 /nfs/dbraw/zinc/92/87/31/806928731.db2.gz WSJFKAYBLHKXNK-KTFSGNIMSA-N 2 1 270.420 3.231 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001116210237 802311383 /nfs/dbraw/zinc/31/13/83/802311383.db2.gz YXGUMRGIMBUZRZ-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001116210237 802311388 /nfs/dbraw/zinc/31/13/88/802311388.db2.gz YXGUMRGIMBUZRZ-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001116210237 802311395 /nfs/dbraw/zinc/31/13/95/802311395.db2.gz YXGUMRGIMBUZRZ-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001116210237 802311404 /nfs/dbraw/zinc/31/14/04/802311404.db2.gz YXGUMRGIMBUZRZ-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001116210237 802311412 /nfs/dbraw/zinc/31/14/12/802311412.db2.gz YXGUMRGIMBUZRZ-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC001116296428 802328119 /nfs/dbraw/zinc/32/81/19/802328119.db2.gz UCOCWKHLGLPSON-KZNAEPCWSA-N 2 1 272.436 3.006 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172382159 808275706 /nfs/dbraw/zinc/27/57/06/808275706.db2.gz JQYNGPLCLYFULD-HRCADAONSA-N 2 1 254.462 3.475 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC001119745914 802696429 /nfs/dbraw/zinc/69/64/29/802696429.db2.gz JTVWNMZBXGULAB-KRWDZBQOSA-N 2 1 294.483 3.284 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1(C)C ZINC001119930094 802708395 /nfs/dbraw/zinc/70/83/95/802708395.db2.gz ZGGYGGSMPZLZQI-XUWVNRHRSA-N 2 1 282.472 3.041 20 0 CGADMP F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256894979 806999903 /nfs/dbraw/zinc/99/99/03/806999903.db2.gz PNZONMHQCLWMBI-RBSFLKMASA-N 2 1 268.420 3.264 20 0 CGADMP F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256894979 806999904 /nfs/dbraw/zinc/99/99/04/806999904.db2.gz PNZONMHQCLWMBI-RBSFLKMASA-N 2 1 268.420 3.264 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@H]1C ZINC001208185030 813735257 /nfs/dbraw/zinc/73/52/57/813735257.db2.gz UCMBDQKTKNGRSS-HZPDHXFCSA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@](C)(F)CC2)CCCC1 ZINC001208184127 813735375 /nfs/dbraw/zinc/73/53/75/813735375.db2.gz JPDUNWLDMMJJOK-OAHLLOKOSA-N 2 1 270.436 3.323 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136984433 803668052 /nfs/dbraw/zinc/66/80/52/803668052.db2.gz LCCNFNCYGJIPFV-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136984433 803668054 /nfs/dbraw/zinc/66/80/54/803668054.db2.gz LCCNFNCYGJIPFV-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+](C)CC3CC[NH+](C)CC3)cc2c1 ZINC001138415784 803923274 /nfs/dbraw/zinc/92/32/74/803923274.db2.gz MCUXRIFAZVGVPO-UHFFFAOYSA-N 2 1 285.435 3.250 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C2CC(F)(F)C2)cc1 ZINC001138542687 803964265 /nfs/dbraw/zinc/96/42/65/803964265.db2.gz FERBXOISRRVOPM-UHFFFAOYSA-N 2 1 291.345 3.410 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C2CC(F)(F)C2)cc1 ZINC001138542687 803964272 /nfs/dbraw/zinc/96/42/72/803964272.db2.gz FERBXOISRRVOPM-UHFFFAOYSA-N 2 1 291.345 3.410 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)sc3C)C[C@@H]2C1 ZINC001138569780 803969725 /nfs/dbraw/zinc/96/97/25/803969725.db2.gz OMQKNPOOSYIJLD-HOTGVXAUSA-N 2 1 278.465 3.139 20 0 CGADMP CN1CCC([N@H+](C)Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138684819 804004772 /nfs/dbraw/zinc/00/47/72/804004772.db2.gz QVOIRQJOOIZNHL-UHFFFAOYSA-N 2 1 291.826 3.347 20 0 CGADMP CCCCC[C@H](O)C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066599 804107164 /nfs/dbraw/zinc/10/71/64/804107164.db2.gz AMIICHMAEUPUHH-ULQDDVLXSA-N 2 1 284.488 3.156 20 0 CGADMP CCCC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CC[NH2+]1 ZINC001246070836 804108554 /nfs/dbraw/zinc/10/85/54/804108554.db2.gz GDLLZEBIVNKHQI-JKSUJKDBSA-N 2 1 264.388 3.226 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090922 804122078 /nfs/dbraw/zinc/12/20/78/804122078.db2.gz MZEXFRDBKVSIKJ-BXUZGUMPSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246102293 804134670 /nfs/dbraw/zinc/13/46/70/804134670.db2.gz CNNPBOQGRWNZJO-DVOMOZLQSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001246118145 804149622 /nfs/dbraw/zinc/14/96/22/804149622.db2.gz WDULAWHOGNTMDO-IMSIIYSGSA-N 2 1 287.234 3.122 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246122054 804153063 /nfs/dbraw/zinc/15/30/63/804153063.db2.gz FCLUEYRDFKAIRC-SJORKVTESA-N 2 1 260.425 3.130 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3C[NH2+]CC34CC4)C2)cc1 ZINC001246131568 804157696 /nfs/dbraw/zinc/15/76/96/804157696.db2.gz KWOYSQIAWBDAKO-IKGGRYGDSA-N 2 1 270.420 3.054 20 0 CGADMP Clc1cccc2c1CC[C@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)C2 ZINC001246136034 804160976 /nfs/dbraw/zinc/16/09/76/804160976.db2.gz QXOHSEJRWBOAGX-RRQGHBQHSA-N 2 1 290.838 3.072 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H]2CCCCN2)cc1 ZINC001246170775 804186564 /nfs/dbraw/zinc/18/65/64/804186564.db2.gz SVPMRIFOELIKRP-GJZGRUSLSA-N 2 1 278.465 3.207 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246174675 804189791 /nfs/dbraw/zinc/18/97/91/804189791.db2.gz COFIVWUJNXVEMS-NEPJUHHUSA-N 2 1 284.806 3.142 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246180371 804193523 /nfs/dbraw/zinc/19/35/23/804193523.db2.gz JDZJNNIIBFXRMB-LSDHHAIUSA-N 2 1 296.842 3.215 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246180370 804193913 /nfs/dbraw/zinc/19/39/13/804193913.db2.gz JDZJNNIIBFXRMB-HUUCEWRRSA-N 2 1 296.842 3.215 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246186745 804198287 /nfs/dbraw/zinc/19/82/87/804198287.db2.gz GZZCVGNZJGOAMH-QWHCGFSZSA-N 2 1 299.245 3.192 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246213031 804210473 /nfs/dbraw/zinc/21/04/73/804210473.db2.gz PWHRNCCKSHNWOS-IRXDYDNUSA-N 3 1 297.531 3.397 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001246229436 804222285 /nfs/dbraw/zinc/22/22/85/804222285.db2.gz CXPXDGDHISGJIS-VIFPVBQESA-N 2 1 294.748 3.446 20 0 CGADMP CC(C)=CCC/C(C)=C/C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246236848 804227904 /nfs/dbraw/zinc/22/79/04/804227904.db2.gz BEJCTVALCWQKIT-AAGJOFLKSA-N 2 1 250.430 3.411 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246236919 804228161 /nfs/dbraw/zinc/22/81/61/804228161.db2.gz UQVQVLHGZRWDFY-JKSUJKDBSA-N 2 1 278.415 3.390 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCC2CCCCCCC2)C[NH2+]1 ZINC001246240748 804231598 /nfs/dbraw/zinc/23/15/98/804231598.db2.gz WTOGAXGKYKDDAV-GOEBONIOSA-N 2 1 252.446 3.467 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C(C)C)C2)c(F)c1 ZINC001246260855 804242146 /nfs/dbraw/zinc/24/21/46/804242146.db2.gz BPTWPYGAKLKQPM-AHIWAGSCSA-N 2 1 294.414 3.262 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246274009 804252178 /nfs/dbraw/zinc/25/21/78/804252178.db2.gz UJEOBRKJDVBVOW-GFCCVEGCSA-N 2 1 287.234 3.050 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246277675 804253096 /nfs/dbraw/zinc/25/30/96/804253096.db2.gz AJGPVQANHMHKPD-LBPRGKRZSA-N 2 1 282.428 3.167 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C[NH2+]1 ZINC001246279279 804254614 /nfs/dbraw/zinc/25/46/14/804254614.db2.gz LLJYZZXANAHZRM-YWPUVAFDSA-N 2 1 278.362 3.085 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246299444 804266071 /nfs/dbraw/zinc/26/60/71/804266071.db2.gz KKFBACMVLPBGIG-XLIONFOSSA-N 2 1 296.458 3.476 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246299637 804266231 /nfs/dbraw/zinc/26/62/31/804266231.db2.gz IYNFEAQLJSXFJK-BXUZGUMPSA-N 2 1 298.352 3.425 20 0 CGADMP COc1cccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC001246319059 804278786 /nfs/dbraw/zinc/27/87/86/804278786.db2.gz CFWAEQWYXZEQPJ-LJQANCHMSA-N 2 1 296.414 3.126 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)CC[NH2+]C)c1ccccc1Cl ZINC001246318422 804278900 /nfs/dbraw/zinc/27/89/00/804278900.db2.gz UCDMONUVSAUIEG-FZMZJTMJSA-N 2 1 254.805 3.379 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246326170 804282106 /nfs/dbraw/zinc/28/21/06/804282106.db2.gz MCBIDWOZIHZXEV-FIXISWKDSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246325432 804283103 /nfs/dbraw/zinc/28/31/03/804283103.db2.gz KKSOAQSSMNXYFD-OWLYRPNTSA-N 2 1 272.436 3.300 20 0 CGADMP CC1(C)CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246324588 804283164 /nfs/dbraw/zinc/28/31/64/804283164.db2.gz FRXHHTANLMEOOF-HNNXBMFYSA-N 2 1 264.457 3.467 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](COC)c2ccccc2)CC[NH2+]1 ZINC001246357109 804301523 /nfs/dbraw/zinc/30/15/23/804301523.db2.gz VZFSNIZWLPTVCI-SQNIBIBYSA-N 2 1 290.451 3.275 20 0 CGADMP [NH3+]CC1([NH2+]C2CCC3(CCc4ccccc43)CC2)CCC1 ZINC001246356124 804301975 /nfs/dbraw/zinc/30/19/75/804301975.db2.gz MJARRNFNWJECPP-UHFFFAOYSA-N 2 1 284.447 3.284 20 0 CGADMP CC[C@@]1([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC[NH2+]C1 ZINC001246460417 804341353 /nfs/dbraw/zinc/34/13/53/804341353.db2.gz MLXXENLJUGVQKV-IAQYHMDHSA-N 2 1 284.806 3.142 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC(F)(F)CC1 ZINC001246493073 804358756 /nfs/dbraw/zinc/35/87/56/804358756.db2.gz ABHCMUVEDCYPDI-UHFFFAOYSA-N 2 1 262.388 3.452 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001246494534 804360629 /nfs/dbraw/zinc/36/06/29/804360629.db2.gz HFUYBMFLLVRATF-MRXNPFEDSA-N 2 1 290.451 3.050 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246498975 804361626 /nfs/dbraw/zinc/36/16/26/804361626.db2.gz VSCQLCDSVVSMCL-WNRNVDISSA-N 3 1 295.515 3.137 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246514006 804369381 /nfs/dbraw/zinc/36/93/81/804369381.db2.gz ZKZLHXAJMAXVQF-DDBAPUKQSA-N 2 1 272.436 3.443 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246517641 804372338 /nfs/dbraw/zinc/37/23/38/804372338.db2.gz ALFQBXGWWXKOQL-IRXDYDNUSA-N 2 1 274.452 3.328 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001246520861 804374562 /nfs/dbraw/zinc/37/45/62/804374562.db2.gz AODUSCCAKXUZFS-UHFFFAOYSA-N 2 1 298.474 3.400 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@H]1C ZINC001246522136 804377435 /nfs/dbraw/zinc/37/74/35/804377435.db2.gz IOKCADCYAFGZCM-BZUAXINKSA-N 2 1 264.457 3.277 20 0 CGADMP CCCC[C@H](CC)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246523663 804377883 /nfs/dbraw/zinc/37/78/83/804377883.db2.gz OMGCZYKXLQGMAX-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246524323 804379345 /nfs/dbraw/zinc/37/93/45/804379345.db2.gz HWHHNPFYPRXLSN-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246527382 804380386 /nfs/dbraw/zinc/38/03/86/804380386.db2.gz TZSLYIUPYWJEJJ-ROUUACIJSA-N 2 1 272.436 3.349 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCc3ccccc3[C@H]2C)CC[NH2+]1 ZINC001246540498 804388278 /nfs/dbraw/zinc/38/82/78/804388278.db2.gz AZJAMLLOOSDVBY-FVQBIDKESA-N 2 1 258.409 3.136 20 0 CGADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246543576 804389971 /nfs/dbraw/zinc/38/99/71/804389971.db2.gz ULNIROSZRXOGOQ-HOTGVXAUSA-N 2 1 278.827 3.011 20 0 CGADMP FC1(F)CCCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246545450 804392692 /nfs/dbraw/zinc/39/26/92/804392692.db2.gz GVPDXEFZVKFVEZ-ZIAGYGMSSA-N 2 1 272.383 3.030 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C[C@H]1C[NH3+] ZINC001246551330 804400558 /nfs/dbraw/zinc/40/05/58/804400558.db2.gz MAVHWXUNOIROPA-BPLDGKMQSA-N 2 1 292.854 3.114 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(O)cc1C ZINC001140204394 804401905 /nfs/dbraw/zinc/40/19/05/804401905.db2.gz RPXQYOUUWLXYRH-UHFFFAOYSA-N 2 1 278.440 3.173 20 0 CGADMP [NH3+]C[C@@]1(O)CCC[N@H+](C2CCC3(CCCCC3)CC2)CC1 ZINC001246552125 804402593 /nfs/dbraw/zinc/40/25/93/804402593.db2.gz OAKZCUJMOZQHJK-GOSISDBHSA-N 2 1 294.483 3.055 20 0 CGADMP F[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246557186 804405617 /nfs/dbraw/zinc/40/56/17/804405617.db2.gz FTFVXUHSSWWSJH-KURKYZTESA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246557384 804405961 /nfs/dbraw/zinc/40/59/61/804405961.db2.gz LKUVRYIUBCOYHM-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246559293 804408463 /nfs/dbraw/zinc/40/84/63/804408463.db2.gz PBBDFQDPMXHBSB-CGTJXYLNSA-N 2 1 274.452 3.315 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1)CC2 ZINC001246561771 804409664 /nfs/dbraw/zinc/40/96/64/804409664.db2.gz LLSBRSYBLWNBSR-SZVBFZGTSA-N 2 1 286.463 3.159 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246560347 804410124 /nfs/dbraw/zinc/41/01/24/804410124.db2.gz CVYDTZZUVOWLJC-UMVBOHGHSA-N 2 1 280.843 3.330 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246562570 804411612 /nfs/dbraw/zinc/41/16/12/804411612.db2.gz YLOJQEAXWKBZRP-STQMWFEESA-N 2 1 262.388 3.261 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC1 ZINC001246563023 804411878 /nfs/dbraw/zinc/41/18/78/804411878.db2.gz ISDKGSUUNORDPI-CIDNJEQPSA-N 2 1 252.446 3.260 20 0 CGADMP CCCOC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246565028 804414364 /nfs/dbraw/zinc/41/43/64/804414364.db2.gz ZZBVYQMYMDQIDH-XNIRIUNOSA-N 2 1 282.472 3.031 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576424 804423057 /nfs/dbraw/zinc/42/30/57/804423057.db2.gz KDYTYEFIKKGUTL-SQNIBIBYSA-N 2 1 290.426 3.476 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576424 804423059 /nfs/dbraw/zinc/42/30/59/804423059.db2.gz KDYTYEFIKKGUTL-SQNIBIBYSA-N 2 1 290.426 3.476 20 0 CGADMP CCC1CCC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246578974 804423971 /nfs/dbraw/zinc/42/39/71/804423971.db2.gz DIWHNAGRKOPGKY-UYSNPLJNSA-N 2 1 252.446 3.406 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582465 804425410 /nfs/dbraw/zinc/42/54/10/804425410.db2.gz MSXCZLUBGCLWKD-GUYCJALGSA-N 2 1 292.854 3.258 20 0 CGADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001246580593 804426273 /nfs/dbraw/zinc/42/62/73/804426273.db2.gz XEHZFXFSLZQOPO-QAPCUYQASA-N 2 1 290.451 3.077 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246583443 804428189 /nfs/dbraw/zinc/42/81/89/804428189.db2.gz QYUTYDRQZQMDEY-KBPBESRZSA-N 2 1 280.843 3.332 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246584544 804428755 /nfs/dbraw/zinc/42/87/55/804428755.db2.gz NLSALBTVKYAZPL-QZTJIDSGSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001246585641 804430053 /nfs/dbraw/zinc/43/00/53/804430053.db2.gz YNNRSMMRBDYLKA-SJLPKXTDSA-N 2 1 274.452 3.377 20 0 CGADMP C[C@@]1(F)CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1F ZINC001246590001 804432018 /nfs/dbraw/zinc/43/20/18/804432018.db2.gz RFWIENFUYYBRBM-HUUCEWRRSA-N 2 1 286.410 3.071 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC001246594157 804435676 /nfs/dbraw/zinc/43/56/76/804435676.db2.gz DNTJSALMBVMFRT-LESCRADOSA-N 2 1 272.436 3.382 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598483 804436825 /nfs/dbraw/zinc/43/68/25/804436825.db2.gz AIMNYCSQUNEFKH-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598483 804436828 /nfs/dbraw/zinc/43/68/28/804436828.db2.gz AIMNYCSQUNEFKH-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001246602685 804440218 /nfs/dbraw/zinc/44/02/18/804440218.db2.gz JBDUAEJLPLABKM-ZACQAIPSSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC2 ZINC001246604751 804441965 /nfs/dbraw/zinc/44/19/65/804441965.db2.gz IOJYZWRTXSJPAL-UXHICEINSA-N 2 1 298.474 3.460 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246608059 804442830 /nfs/dbraw/zinc/44/28/30/804442830.db2.gz VRAJMTUVJDRSFT-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@]4(CCC[NH2+]4)C3)C2)cc1 ZINC001246612263 804446525 /nfs/dbraw/zinc/44/65/25/804446525.db2.gz GDHQMWSSGGCWCN-KZNAEPCWSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@]4(CCC[NH2+]4)C3)C2)cc1 ZINC001246612263 804446530 /nfs/dbraw/zinc/44/65/30/804446530.db2.gz GDHQMWSSGGCWCN-KZNAEPCWSA-N 2 1 270.420 3.151 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246614663 804448024 /nfs/dbraw/zinc/44/80/24/804448024.db2.gz OUDPDZDKXGZBCT-QGZVFWFLSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246615091 804448167 /nfs/dbraw/zinc/44/81/67/804448167.db2.gz CGGDXFRAQJUSHL-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246615091 804448172 /nfs/dbraw/zinc/44/81/72/804448172.db2.gz CGGDXFRAQJUSHL-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613937 804448887 /nfs/dbraw/zinc/44/88/87/804448887.db2.gz LTKYOLRDNIKJBY-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613937 804448892 /nfs/dbraw/zinc/44/88/92/804448892.db2.gz LTKYOLRDNIKJBY-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP C1CC12CCC([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617837 804451482 /nfs/dbraw/zinc/45/14/82/804451482.db2.gz ZSNRIGNFPWXJLK-KRWDZBQOSA-N 2 1 262.441 3.317 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC23CCCC3)C[C@H](CC)[NH2+]1 ZINC001246622077 804454943 /nfs/dbraw/zinc/45/49/43/804454943.db2.gz GEONDPOZQRTXQF-QDMKHBRRSA-N 2 1 250.430 3.314 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246623534 804454954 /nfs/dbraw/zinc/45/49/54/804454954.db2.gz AOZUEHCJBNRLAL-MHORFTMASA-N 2 1 270.420 3.149 20 0 CGADMP CCCCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246623927 804457488 /nfs/dbraw/zinc/45/74/88/804457488.db2.gz MEAADBLLAPYQND-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP C1[NH2+]CC12CC[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001246631080 804462283 /nfs/dbraw/zinc/46/22/83/804462283.db2.gz OQGGWUNUXRPIPK-OAHLLOKOSA-N 2 1 262.441 3.175 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634488 804464463 /nfs/dbraw/zinc/46/44/63/804464463.db2.gz OAISZHJRZVIDHY-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C[C@@H]1C ZINC001246636813 804465787 /nfs/dbraw/zinc/46/57/87/804465787.db2.gz XCGNSQKMMCTBFE-QZWWFDLISA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C[C@@H]1C ZINC001246636813 804465788 /nfs/dbraw/zinc/46/57/88/804465788.db2.gz XCGNSQKMMCTBFE-QZWWFDLISA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C[C@H]1C ZINC001246636814 804466068 /nfs/dbraw/zinc/46/60/68/804466068.db2.gz XCGNSQKMMCTBFE-WCXIOVBPSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C[C@H]1C ZINC001246636814 804466071 /nfs/dbraw/zinc/46/60/71/804466071.db2.gz XCGNSQKMMCTBFE-WCXIOVBPSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246639342 804467068 /nfs/dbraw/zinc/46/70/68/804467068.db2.gz PTKBLAIFYOAWGV-KGLIPLIRSA-N 2 1 274.399 3.276 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246639309 804467104 /nfs/dbraw/zinc/46/71/04/804467104.db2.gz QHAIUPSSAZKMES-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246639309 804467106 /nfs/dbraw/zinc/46/71/06/804467106.db2.gz QHAIUPSSAZKMES-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC23CC[NH2+]CC3)CC(C)(C)C1 ZINC001246643916 804470047 /nfs/dbraw/zinc/47/00/47/804470047.db2.gz HXIAQFAIFJTRPQ-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@]13CC[NH2+]C3)C2 ZINC001246645058 804472234 /nfs/dbraw/zinc/47/22/34/804472234.db2.gz ANNIZOLPHNHVIU-IAGOWNOFSA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]13CC[NH2+]C3)C2 ZINC001246645058 804472237 /nfs/dbraw/zinc/47/22/37/804472237.db2.gz ANNIZOLPHNHVIU-IAGOWNOFSA-N 2 1 290.838 3.025 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246656797 804481646 /nfs/dbraw/zinc/48/16/46/804481646.db2.gz FSFVJCYJTDRCFA-PBLBJHRBSA-N 2 1 299.245 3.346 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C1 ZINC001246657521 804481832 /nfs/dbraw/zinc/48/18/32/804481832.db2.gz QZIALHABFLDPIV-SCRDCRAPSA-N 2 1 290.373 3.039 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC001246662988 804485311 /nfs/dbraw/zinc/48/53/11/804485311.db2.gz WQJXLTMGCZYMBA-HYVNUMGLSA-N 2 1 264.457 3.419 20 0 CGADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](C2CCCC2)CC3)cc1 ZINC001246672611 804489736 /nfs/dbraw/zinc/48/97/36/804489736.db2.gz MKPWZIOCLDGOIM-HKUYNNGSSA-N 2 1 284.447 3.182 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246676252 804491498 /nfs/dbraw/zinc/49/14/98/804491498.db2.gz DAUIKUWZESIWAY-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@H](C3C[NH2+]C3)C2)CC1 ZINC001246678264 804493285 /nfs/dbraw/zinc/49/32/85/804493285.db2.gz LEKUUGJDHBPKLC-JEYLPNPQSA-N 2 1 264.457 3.133 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246687861 804497201 /nfs/dbraw/zinc/49/72/01/804497201.db2.gz XMCYZOXUYBOEGI-BRSBDYLESA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246687124 804497253 /nfs/dbraw/zinc/49/72/53/804497253.db2.gz VGTDSRQOEZZQPA-YYWYGQEZSA-N 2 1 294.483 3.044 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246688716 804497407 /nfs/dbraw/zinc/49/74/07/804497407.db2.gz HIAIOMDKRRJFCH-JYJNAYRXSA-N 2 1 270.436 3.369 20 0 CGADMP CC[C@H]1CC([N@@H+](C)Cc2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246770934 804502905 /nfs/dbraw/zinc/50/29/05/804502905.db2.gz SMMDPTLPRDDNSJ-HOTGVXAUSA-N 2 1 290.451 3.436 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)[C@H]1CCCC[NH2+]C1 ZINC001246774784 804504716 /nfs/dbraw/zinc/50/47/16/804504716.db2.gz GTQYBWYCAFPCTO-KRWDZBQOSA-N 2 1 268.404 3.414 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@H]1CCCC[NH2+]C1 ZINC001246774784 804504720 /nfs/dbraw/zinc/50/47/20/804504720.db2.gz GTQYBWYCAFPCTO-KRWDZBQOSA-N 2 1 268.404 3.414 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246773379 804504946 /nfs/dbraw/zinc/50/49/46/804504946.db2.gz BUQBEVJMTWUQOJ-HUUCEWRRSA-N 2 1 260.425 3.428 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC001246777687 804507009 /nfs/dbraw/zinc/50/70/09/804507009.db2.gz RYHPUKVHQYDNTD-SJORKVTESA-N 2 1 260.425 3.082 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246780711 804508392 /nfs/dbraw/zinc/50/83/92/804508392.db2.gz WGKDSFDAOKKKPA-BCDXTJNWSA-N 2 1 280.415 3.270 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2CCOC)CC[NH2+]1 ZINC001246785293 804511858 /nfs/dbraw/zinc/51/18/58/804511858.db2.gz KRMPAVFJQAPHBZ-BRWVUGGUSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](CC2CC2)C(C)C)CC[NH2+]1 ZINC001246791641 804515390 /nfs/dbraw/zinc/51/53/90/804515390.db2.gz RDCIVINOXLSYNQ-CVEARBPZSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC001246792108 804515439 /nfs/dbraw/zinc/51/54/39/804515439.db2.gz UHYZCIULRFSFGY-KLHDSHLOSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1C ZINC001246792341 804515743 /nfs/dbraw/zinc/51/57/43/804515743.db2.gz UXPBIVAXTRYDFS-UKBAYJJMSA-N 2 1 286.463 3.470 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794448 804516830 /nfs/dbraw/zinc/51/68/30/804516830.db2.gz ZTJWZBWVBSIJBM-GOSISDBHSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001246793278 804517132 /nfs/dbraw/zinc/51/71/32/804517132.db2.gz UPEFTADFMQPAJV-INIZCTEOSA-N 2 1 272.436 3.002 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246797369 804518902 /nfs/dbraw/zinc/51/89/02/804518902.db2.gz OJECKDKDDJNZKA-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246799447 804521615 /nfs/dbraw/zinc/52/16/15/804521615.db2.gz UQYZUUHNGBPCBJ-KEYYUXOJSA-N 2 1 276.399 3.493 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CC[NH2+]1 ZINC001246800720 804522202 /nfs/dbraw/zinc/52/22/02/804522202.db2.gz GICTXJDHGCFUEN-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001140806038 804524164 /nfs/dbraw/zinc/52/41/64/804524164.db2.gz UXHQWSSKYNZMOZ-SFHVURJKSA-N 2 1 299.418 3.344 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001140806038 804524167 /nfs/dbraw/zinc/52/41/67/804524167.db2.gz UXHQWSSKYNZMOZ-SFHVURJKSA-N 2 1 299.418 3.344 20 0 CGADMP C1CCC2(C1)CC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246807073 804524965 /nfs/dbraw/zinc/52/49/65/804524965.db2.gz MUEVVUKERJFNMP-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246813000 804530098 /nfs/dbraw/zinc/53/00/98/804530098.db2.gz HFRDSJQZFCDTMJ-HZPDHXFCSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](Cc1ccsc1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246813609 804530158 /nfs/dbraw/zinc/53/01/58/804530158.db2.gz KLPDXGLNGFOYPS-UHFFFAOYSA-N 2 1 278.465 3.492 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246814441 804530835 /nfs/dbraw/zinc/53/08/35/804530835.db2.gz PEQVHCJHVTUKHS-RBUKOAKNSA-N 2 1 286.463 3.392 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(Cc2ccccc2)CC1 ZINC001246814837 804532035 /nfs/dbraw/zinc/53/20/35/804532035.db2.gz SLDSUVRJASFQQJ-JLAWEPINSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC001246819879 804534357 /nfs/dbraw/zinc/53/43/57/804534357.db2.gz KVWKHOKWMFQVOF-WCVJEAGWSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC001246819879 804534363 /nfs/dbraw/zinc/53/43/63/804534363.db2.gz KVWKHOKWMFQVOF-WCVJEAGWSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)C[C@H](C)[NH2+]1 ZINC001246831221 804541143 /nfs/dbraw/zinc/54/11/43/804541143.db2.gz BZPDRBRYJRBKGW-YXPYIKCWSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246838869 804548534 /nfs/dbraw/zinc/54/85/34/804548534.db2.gz JITUDYPLIPMQCE-LXTVHRRPSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246840801 804549967 /nfs/dbraw/zinc/54/99/67/804549967.db2.gz KTGDDZQZCLITBG-CHWSQXEVSA-N 2 1 298.833 3.342 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246842814 804552433 /nfs/dbraw/zinc/55/24/33/804552433.db2.gz DMRCMGMQKKSRLC-DOMZBBRYSA-N 2 1 266.816 3.084 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001246847359 804555534 /nfs/dbraw/zinc/55/55/34/804555534.db2.gz UEKYEYRFZRSKBX-HNNXBMFYSA-N 2 1 275.440 3.214 20 0 CGADMP CC[C@@H]1CC([N@@H+](C)C[C@@H]2CC2(C)C)C[C@@H](CC)[NH2+]1 ZINC001246847314 804555896 /nfs/dbraw/zinc/55/58/96/804555896.db2.gz SWXHINZKHSQRTG-BFHYXJOUSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246846577 804556685 /nfs/dbraw/zinc/55/66/85/804556685.db2.gz OSEWJYOOHNXWER-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246846577 804556690 /nfs/dbraw/zinc/55/66/90/804556690.db2.gz OSEWJYOOHNXWER-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246849166 804559937 /nfs/dbraw/zinc/55/99/37/804559937.db2.gz ZEHNTACLGREZFP-MSOLQXFVSA-N 2 1 274.452 3.457 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849575 804560108 /nfs/dbraw/zinc/56/01/08/804560108.db2.gz GHGQDLQAXLQELA-HOCLYGCPSA-N 2 1 278.827 3.271 20 0 CGADMP Clc1ccc([C@H]2CC[N@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849575 804560112 /nfs/dbraw/zinc/56/01/12/804560112.db2.gz GHGQDLQAXLQELA-HOCLYGCPSA-N 2 1 278.827 3.271 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001246855150 804563943 /nfs/dbraw/zinc/56/39/43/804563943.db2.gz VGDLRLGQRUWCHT-JSGCOSHPSA-N 2 1 266.816 3.127 20 0 CGADMP Clc1cccc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001246856074 804564436 /nfs/dbraw/zinc/56/44/36/804564436.db2.gz YSZOVNJUQMPQIV-JTUUTPGSSA-N 2 1 290.838 3.412 20 0 CGADMP Fc1cccc2c1CC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246862246 804565626 /nfs/dbraw/zinc/56/56/26/804565626.db2.gz MMAGXEWTVDQURT-UHFFFAOYSA-N 2 1 288.410 3.106 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)CSc2ccc(Cl)cc2)C1 ZINC001246863141 804568456 /nfs/dbraw/zinc/56/84/56/804568456.db2.gz KAIVCBPYOJEPFJ-CHWSQXEVSA-N 2 1 298.883 3.362 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246877761 804576575 /nfs/dbraw/zinc/57/65/75/804576575.db2.gz GHKSUWGPPJWVME-AEFFLSMTSA-N 2 1 290.451 3.294 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246903432 804589375 /nfs/dbraw/zinc/58/93/75/804589375.db2.gz XISCLVHJLQQAET-RDTXWAMCSA-N 2 1 295.430 3.447 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246905238 804589890 /nfs/dbraw/zinc/58/98/90/804589890.db2.gz AWARDAZUTUBCOU-WBAXXEDZSA-N 2 1 274.452 3.382 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@@H](C)[NH2+][C@H](C)C2)cc1C ZINC001246906228 804591653 /nfs/dbraw/zinc/59/16/53/804591653.db2.gz DCVWGWXSVKXCEU-HUUCEWRRSA-N 2 1 260.425 3.264 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3C[C@H]32)CC[NH2+]1 ZINC001246908052 804592945 /nfs/dbraw/zinc/59/29/45/804592945.db2.gz WZSAXWPAJNBYTB-UNQWWWNPSA-N 2 1 288.410 3.412 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@H]3C[C@H]32)CC[NH2+]1 ZINC001246908052 804592950 /nfs/dbraw/zinc/59/29/50/804592950.db2.gz WZSAXWPAJNBYTB-UNQWWWNPSA-N 2 1 288.410 3.412 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)CCc2ccccc2F)CC[NH2+]1 ZINC001246909721 804593331 /nfs/dbraw/zinc/59/33/31/804593331.db2.gz HQNOUZQCCNMZRL-DOTOQJQBSA-N 2 1 278.415 3.077 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246914652 804596255 /nfs/dbraw/zinc/59/62/55/804596255.db2.gz ZOUMIGMAFNETJE-IAGOWNOFSA-N 2 1 292.442 3.467 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)CC[NH2+]1 ZINC001246915929 804598819 /nfs/dbraw/zinc/59/88/19/804598819.db2.gz ZHPHRXAHDRRLDD-ZBFHGGJFSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001246929867 804606011 /nfs/dbraw/zinc/60/60/11/804606011.db2.gz HRXUESSEGGEHJI-YTQUADARSA-N 2 1 286.463 3.248 20 0 CGADMP Fc1cccc(C[N@H+](C2CCCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246933082 804607051 /nfs/dbraw/zinc/60/70/51/804607051.db2.gz GIDGWRJXYYEVFC-KRWDZBQOSA-N 2 1 276.399 3.322 20 0 CGADMP Fc1cccc(C[N@@H+](C2CCCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246933082 804607056 /nfs/dbraw/zinc/60/70/56/804607056.db2.gz GIDGWRJXYYEVFC-KRWDZBQOSA-N 2 1 276.399 3.322 20 0 CGADMP CO[C@@H]1CCC[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246934240 804607630 /nfs/dbraw/zinc/60/76/30/804607630.db2.gz AOTDKNBJKRKBKC-RYQLBKOJSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CSc1ccc(F)cc1 ZINC001246942170 804611927 /nfs/dbraw/zinc/61/19/27/804611927.db2.gz NIRXKTCSAUXADG-UONOGXRCSA-N 2 1 296.455 3.238 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C(CC(C)C)CC(C)C ZINC001246944077 804612972 /nfs/dbraw/zinc/61/29/72/804612972.db2.gz TUKNWEUFLGGADM-HNNXBMFYSA-N 2 1 254.462 3.379 20 0 CGADMP CCCCC[C@H](CC)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246951335 804616032 /nfs/dbraw/zinc/61/60/32/804616032.db2.gz UMEVLYBVWDGVEN-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001246969148 804620638 /nfs/dbraw/zinc/62/06/38/804620638.db2.gz UJSZIDOFGUPIPI-IRXDYDNUSA-N 2 1 260.425 3.069 20 0 CGADMP Cc1cccc(C[N@@H+](C2CC2)C2C[C@@H]3C=C[C@H](C2)[NH2+]3)c1C ZINC001246966565 804621076 /nfs/dbraw/zinc/62/10/76/804621076.db2.gz JTOMICGDBFHTED-JJTKIYQPSA-N 2 1 282.431 3.327 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246966332 804621165 /nfs/dbraw/zinc/62/11/65/804621165.db2.gz RLUMIMGTKOJIJY-YOEHRIQHSA-N 2 1 258.409 3.182 20 0 CGADMP C[N@H+](Cc1cccc(-n2ccnc2)c1)CC1CCCC1 ZINC001141244285 804624673 /nfs/dbraw/zinc/62/46/73/804624673.db2.gz ICNSGGWQNQNAHK-UHFFFAOYSA-N 2 1 269.392 3.494 20 0 CGADMP Fc1ccc(C[C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001247004409 804635809 /nfs/dbraw/zinc/63/58/09/804635809.db2.gz PQKPZLJWJVDLRH-SOABOVLPSA-N 2 1 288.410 3.116 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@](C)(C[NH3+])C2)CC1 ZINC001247005075 804637089 /nfs/dbraw/zinc/63/70/89/804637089.db2.gz UTMBQOHVFYYTRY-UYSNPLJNSA-N 2 1 252.446 3.406 20 0 CGADMP CC1(C)CCC[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012380 804640005 /nfs/dbraw/zinc/64/00/05/804640005.db2.gz DBMXFWXVVMODIP-SOUVJXGZSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012380 804640008 /nfs/dbraw/zinc/64/00/08/804640008.db2.gz DBMXFWXVVMODIP-SOUVJXGZSA-N 2 1 250.430 3.029 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)cc1 ZINC001142367587 804719776 /nfs/dbraw/zinc/71/97/76/804719776.db2.gz RZJVCSXAQVASIX-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)cc1 ZINC001142367587 804719782 /nfs/dbraw/zinc/71/97/82/804719782.db2.gz RZJVCSXAQVASIX-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)cc1 ZINC001142367587 804719783 /nfs/dbraw/zinc/71/97/83/804719783.db2.gz RZJVCSXAQVASIX-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001165278520 806985468 /nfs/dbraw/zinc/98/54/68/806985468.db2.gz HIIFEXPVFCAKBC-CRAIPNDOSA-N 2 1 287.451 3.255 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3csc(Cl)c3)C2)CC1 ZINC001142770716 804767671 /nfs/dbraw/zinc/76/76/71/804767671.db2.gz IKBZRSWUNUKKKX-UHFFFAOYSA-N 2 1 284.856 3.319 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c2cc[nH]c21 ZINC001248817372 805003759 /nfs/dbraw/zinc/00/37/59/805003759.db2.gz SAAKREKMYKEGLR-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c2cc[nH]c21 ZINC001248817372 805003768 /nfs/dbraw/zinc/00/37/68/805003768.db2.gz SAAKREKMYKEGLR-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP CC[NH+](CC)C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC001249458218 805153528 /nfs/dbraw/zinc/15/35/28/805153528.db2.gz LMZNIRQXJQANGU-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1Cl ZINC001250188296 805476500 /nfs/dbraw/zinc/47/65/00/805476500.db2.gz YHQIJNPYRNWZAA-UHFFFAOYSA-N 2 1 280.843 3.483 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1Cl ZINC001250188296 805476505 /nfs/dbraw/zinc/47/65/05/805476505.db2.gz YHQIJNPYRNWZAA-UHFFFAOYSA-N 2 1 280.843 3.483 20 0 CGADMP c1cc(N2CCC([N@H+]3CC[C@H]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC001256856332 806992636 /nfs/dbraw/zinc/99/26/36/806992636.db2.gz FQZJVJHIDMJGRT-CVEARBPZSA-N 2 1 285.435 3.172 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccncc1 ZINC001257210739 807060592 /nfs/dbraw/zinc/06/05/92/807060592.db2.gz XRBYQZMUGDENOB-KRWDZBQOSA-N 2 1 275.440 3.385 20 0 CGADMP CCC(CC)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001257292285 807089650 /nfs/dbraw/zinc/08/96/50/807089650.db2.gz ZOILKXZJOPSFOX-UHFFFAOYSA-N 2 1 264.388 3.264 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001257874518 807233245 /nfs/dbraw/zinc/23/32/45/807233245.db2.gz CJWNEXQMVZVALM-GGZUSFGKSA-N 2 1 294.483 3.328 20 0 CGADMP CC(C)OC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001257874518 807233248 /nfs/dbraw/zinc/23/32/48/807233248.db2.gz CJWNEXQMVZVALM-GGZUSFGKSA-N 2 1 294.483 3.328 20 0 CGADMP CCCC[NH+](CCCC)CCNc1cc(C)[nH+]c(C)n1 ZINC001167731993 807235821 /nfs/dbraw/zinc/23/58/21/807235821.db2.gz HICRDKYOWYWWDU-UHFFFAOYSA-N 2 1 278.444 3.408 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)Cc1cccnc1 ZINC001167824179 807255502 /nfs/dbraw/zinc/25/55/02/807255502.db2.gz CLYHKFQKSRVXQQ-INIZCTEOSA-N 2 1 277.456 3.414 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001167824160 807255903 /nfs/dbraw/zinc/25/59/03/807255903.db2.gz CAVOCFQGIMXZHE-AEFFLSMTSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@H]1CC1(C)C ZINC001167836498 807258712 /nfs/dbraw/zinc/25/87/12/807258712.db2.gz DZTKSIXZRCULGX-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001258010436 807264751 /nfs/dbraw/zinc/26/47/51/807264751.db2.gz AFNKDHSXBVBUAV-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001258010436 807264759 /nfs/dbraw/zinc/26/47/59/807264759.db2.gz AFNKDHSXBVBUAV-JKSUJKDBSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3ncoc3c2)CC1 ZINC001258005740 807265437 /nfs/dbraw/zinc/26/54/37/807265437.db2.gz VWBVOJLZMFCDNU-UHFFFAOYSA-N 2 1 287.407 3.038 20 0 CGADMP CC(C)C[NH+]1CCC([NH+]2CC(c3ccccc3)C2)CC1 ZINC001258017187 807266514 /nfs/dbraw/zinc/26/65/14/807266514.db2.gz VMGZGMGNHHJCOO-UHFFFAOYSA-N 2 1 272.436 3.206 20 0 CGADMP CC(C)C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167919061 807275279 /nfs/dbraw/zinc/27/52/79/807275279.db2.gz RGBDGZHJFWLPTH-LUNDOBRRSA-N 2 1 250.430 3.013 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167956121 807284255 /nfs/dbraw/zinc/28/42/55/807284255.db2.gz JSPAIRULDIDLOQ-OMZCGLGVSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167956121 807284261 /nfs/dbraw/zinc/28/42/61/807284261.db2.gz JSPAIRULDIDLOQ-OMZCGLGVSA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167956121 807284267 /nfs/dbraw/zinc/28/42/67/807284267.db2.gz JSPAIRULDIDLOQ-OMZCGLGVSA-N 2 1 296.458 3.239 20 0 CGADMP Cc1occc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967146 807288286 /nfs/dbraw/zinc/28/82/86/807288286.db2.gz DOCCDILECUEDNQ-ALOPSCKCSA-N 2 1 274.408 3.083 20 0 CGADMP Cc1occc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967146 807288289 /nfs/dbraw/zinc/28/82/89/807288289.db2.gz DOCCDILECUEDNQ-ALOPSCKCSA-N 2 1 274.408 3.083 20 0 CGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2(CC2)C1 ZINC001168003233 807297592 /nfs/dbraw/zinc/29/75/92/807297592.db2.gz LEUMQYBTLJYKGP-JTUUTPGSSA-N 2 1 274.452 3.266 20 0 CGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2(CC2)C1 ZINC001168003233 807297596 /nfs/dbraw/zinc/29/75/96/807297596.db2.gz LEUMQYBTLJYKGP-JTUUTPGSSA-N 2 1 274.452 3.266 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258098543 807308314 /nfs/dbraw/zinc/30/83/14/807308314.db2.gz YIUBTRDFOWEIDN-OAGGEKHMSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258098543 807308322 /nfs/dbraw/zinc/30/83/22/807308322.db2.gz YIUBTRDFOWEIDN-OAGGEKHMSA-N 2 1 250.430 3.005 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258098543 807308331 /nfs/dbraw/zinc/30/83/31/807308331.db2.gz YIUBTRDFOWEIDN-OAGGEKHMSA-N 2 1 250.430 3.005 20 0 CGADMP c1ccc(CC[NH+]2CCC([N@@H+]3CCC4(CC4)C3)CC2)cc1 ZINC001258141609 807320499 /nfs/dbraw/zinc/32/04/99/807320499.db2.gz CWUVTUVDOWHONS-UHFFFAOYSA-N 2 1 284.447 3.179 20 0 CGADMP c1ccc(CC[NH+]2CCC([N@H+]3CCC4(CC4)C3)CC2)cc1 ZINC001258141609 807320510 /nfs/dbraw/zinc/32/05/10/807320510.db2.gz CWUVTUVDOWHONS-UHFFFAOYSA-N 2 1 284.447 3.179 20 0 CGADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@@H](C)C1 ZINC001258155354 807324717 /nfs/dbraw/zinc/32/47/17/807324717.db2.gz DCAYEIXEMCOPPO-QLPKVWCKSA-N 2 1 287.451 3.156 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001168188934 807341095 /nfs/dbraw/zinc/34/10/95/807341095.db2.gz PRKQLIQMXSVJGD-YSVLISHTSA-N 2 1 292.854 3.155 20 0 CGADMP Cc1ccc[nH+]c1N([C@@H](C)Cc1ccco1)C1CC[NH2+]CC1 ZINC001258197812 807357545 /nfs/dbraw/zinc/35/75/45/807357545.db2.gz SBFGTZLHCVFKLL-HNNXBMFYSA-N 2 1 299.418 3.173 20 0 CGADMP CSCC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258222607 807374016 /nfs/dbraw/zinc/37/40/16/807374016.db2.gz CAPODGGRJWKOKV-JYJNAYRXSA-N 2 1 284.513 3.467 20 0 CGADMP CSCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258222607 807374024 /nfs/dbraw/zinc/37/40/24/807374024.db2.gz CAPODGGRJWKOKV-JYJNAYRXSA-N 2 1 284.513 3.467 20 0 CGADMP CSCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001258222607 807374031 /nfs/dbraw/zinc/37/40/31/807374031.db2.gz CAPODGGRJWKOKV-JYJNAYRXSA-N 2 1 284.513 3.467 20 0 CGADMP CSCC[C@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001258225224 807374581 /nfs/dbraw/zinc/37/45/81/807374581.db2.gz SQVYEWQMTMLNKC-AWEZNQCLSA-N 2 1 293.480 3.090 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001168315480 807380051 /nfs/dbraw/zinc/38/00/51/807380051.db2.gz VXUWPQGBXAORPJ-UHFFFAOYSA-N 2 1 264.388 3.130 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)Cc2ccccc21 ZINC001168315016 807380224 /nfs/dbraw/zinc/38/02/24/807380224.db2.gz OOVMVLXPMGBHCA-ODIFPOPNSA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1CCC[C@H](C)[NH+]1C1CC[NH+](CC2CC2)CC1 ZINC001168371556 807398258 /nfs/dbraw/zinc/39/82/58/807398258.db2.gz OEEROWZSVCFALK-KBPBESRZSA-N 2 1 250.430 3.124 20 0 CGADMP Cc1cccc2c1C[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168373398 807398457 /nfs/dbraw/zinc/39/84/57/807398457.db2.gz QNDZXGLPIOWYTH-UHFFFAOYSA-N 2 1 270.420 3.185 20 0 CGADMP CCC(CC)[N@H+](CC)C1CC[NH+](CC2CC2)CC1 ZINC001168387554 807399683 /nfs/dbraw/zinc/39/96/83/807399683.db2.gz JYRZUSOMBXTJMW-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CCC(CC)[N@@H+](CC)C1CC[NH+](CC2CC2)CC1 ZINC001168387554 807399692 /nfs/dbraw/zinc/39/96/92/807399692.db2.gz JYRZUSOMBXTJMW-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168402816 807405845 /nfs/dbraw/zinc/40/58/45/807405845.db2.gz GZEHQIQDOJDTPI-KSSFIOAISA-N 2 1 290.426 3.005 20 0 CGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001258389399 807437660 /nfs/dbraw/zinc/43/76/60/807437660.db2.gz MVXWHJACEWKFNJ-RDJZCZTQSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168735756 807499620 /nfs/dbraw/zinc/49/96/20/807499620.db2.gz UFCVOKNCLFZWDS-OAHLLOKOSA-N 2 1 292.854 3.081 20 0 CGADMP CCC1CCC(C2CCC([N@@H+](CCN)CCO)CC2)CC1 ZINC001258633482 807518237 /nfs/dbraw/zinc/51/82/37/807518237.db2.gz UVFJAXCFDDBLOS-UHFFFAOYSA-N 2 1 296.499 3.015 20 0 CGADMP CCC1CCC(C2CCC(N(CC[NH3+])CCO)CC2)CC1 ZINC001258633482 807518242 /nfs/dbraw/zinc/51/82/42/807518242.db2.gz UVFJAXCFDDBLOS-UHFFFAOYSA-N 2 1 296.499 3.015 20 0 CGADMP CCC1CCC(C2CCC([N@H+](CC[NH3+])CCO)CC2)CC1 ZINC001258633482 807518246 /nfs/dbraw/zinc/51/82/46/807518246.db2.gz UVFJAXCFDDBLOS-UHFFFAOYSA-N 2 1 296.499 3.015 20 0 CGADMP CCC1CCC(C2CCC([N@@H+](CC[NH3+])CCO)CC2)CC1 ZINC001258633482 807518252 /nfs/dbraw/zinc/51/82/52/807518252.db2.gz UVFJAXCFDDBLOS-UHFFFAOYSA-N 2 1 296.499 3.015 20 0 CGADMP CCC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169096792 807574045 /nfs/dbraw/zinc/57/40/45/807574045.db2.gz YKTOCBBVMNHAJI-VXSNREPFSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCCCCCC1)C2 ZINC001169101119 807575349 /nfs/dbraw/zinc/57/53/49/807575349.db2.gz OQEHVJHLKPCESA-MUJYYYPQSA-N 2 1 250.430 3.314 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169100242 807576311 /nfs/dbraw/zinc/57/63/11/807576311.db2.gz HHRVLJUXFCCKEO-YYIAUSFCSA-N 2 1 276.399 3.492 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169100250 807576666 /nfs/dbraw/zinc/57/66/66/807576666.db2.gz HIXSCWOEUTUUIN-XLMAVXFVSA-N 2 1 270.420 3.197 20 0 CGADMP Cc1cnccc1[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169115496 807580341 /nfs/dbraw/zinc/58/03/41/807580341.db2.gz KDVCTAKOHKMFSE-KYHPRHEASA-N 2 1 285.435 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)CC1CCC1)C2 ZINC001169116564 807581190 /nfs/dbraw/zinc/58/11/90/807581190.db2.gz RBCUFMRMXREDII-QKDCVEJESA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C1)C2 ZINC001169119827 807583233 /nfs/dbraw/zinc/58/32/33/807583233.db2.gz WXEPSZMEVSGNLE-XQLPTFJDSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCc3c(F)cccc31)C2 ZINC001169117120 807583373 /nfs/dbraw/zinc/58/33/73/807583373.db2.gz VVQMJUYSYZRIEI-FLTUCWPJSA-N 2 1 288.410 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(N(C)C)c1 ZINC001169118594 807583924 /nfs/dbraw/zinc/58/39/24/807583924.db2.gz LHWLJIMTWUQKSE-QXRTWZOPSA-N 2 1 287.451 3.028 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C)CCC(F)(F)CC1)C2 ZINC001169118525 807583962 /nfs/dbraw/zinc/58/39/62/807583962.db2.gz JQWNNJGUNGUEEJ-BTTYYORXSA-N 2 1 286.410 3.417 20 0 CGADMP CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169123816 807585256 /nfs/dbraw/zinc/58/52/56/807585256.db2.gz NANUHHQWXVLNEE-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123816 807585261 /nfs/dbraw/zinc/58/52/61/807585261.db2.gz NANUHHQWXVLNEE-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123816 807585265 /nfs/dbraw/zinc/58/52/65/807585265.db2.gz NANUHHQWXVLNEE-BJWYYQGGSA-N 2 1 258.409 3.134 20 0 CGADMP COc1c[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1C ZINC001169141709 807587955 /nfs/dbraw/zinc/58/79/55/807587955.db2.gz KHIJNLWLOMCJBW-SUMWQHHRSA-N 2 1 291.439 3.354 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258763668 807600070 /nfs/dbraw/zinc/60/00/70/807600070.db2.gz VTPYQZKIRCNUNV-OKZBNKHCSA-N 2 1 295.515 3.056 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001258772504 807605299 /nfs/dbraw/zinc/60/52/99/807605299.db2.gz QVVSQMNDIKWXGC-UHFFFAOYSA-N 2 1 274.399 3.228 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001169240459 807612267 /nfs/dbraw/zinc/61/22/67/807612267.db2.gz IXUCRNHFENAHDY-KRWDZBQOSA-N 2 1 276.399 3.351 20 0 CGADMP CCN1CCC([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001169245482 807612642 /nfs/dbraw/zinc/61/26/42/807612642.db2.gz FIDOONAYYOZWMO-KRWDZBQOSA-N 2 1 276.399 3.447 20 0 CGADMP CC[NH+]1CCC(N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001169245482 807612648 /nfs/dbraw/zinc/61/26/48/807612648.db2.gz FIDOONAYYOZWMO-KRWDZBQOSA-N 2 1 276.399 3.447 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001169245482 807612651 /nfs/dbraw/zinc/61/26/51/807612651.db2.gz FIDOONAYYOZWMO-KRWDZBQOSA-N 2 1 276.399 3.447 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001169245482 807612654 /nfs/dbraw/zinc/61/26/54/807612654.db2.gz FIDOONAYYOZWMO-KRWDZBQOSA-N 2 1 276.399 3.447 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001258795686 807617538 /nfs/dbraw/zinc/61/75/38/807617538.db2.gz SZNONINSVJSZEC-GDBMZVCRSA-N 2 1 254.462 3.475 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258800209 807621291 /nfs/dbraw/zinc/62/12/91/807621291.db2.gz MFMOTYWUTWRABT-GJZGRUSLSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C1CCC([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258802716 807624076 /nfs/dbraw/zinc/62/40/76/807624076.db2.gz XOORRFJSKYAKID-PQCUMEFNSA-N 2 1 294.483 3.172 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001258816253 807633305 /nfs/dbraw/zinc/63/33/05/807633305.db2.gz ANLYPNAPKSSXHW-OAGGEKHMSA-N 2 1 252.446 3.406 20 0 CGADMP COCC[N@@H+](C(CC(C)C)CC(C)C)C1CCN(C)CC1 ZINC001258835541 807649023 /nfs/dbraw/zinc/64/90/23/807649023.db2.gz UUCCSZSMKYVFSI-UHFFFAOYSA-N 2 1 298.515 3.490 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](CC)Cc3ccccc3)C[C@@H]2C1 ZINC001258853056 807660333 /nfs/dbraw/zinc/66/03/33/807660333.db2.gz SQLARPSIHHZGFI-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258897723 807667520 /nfs/dbraw/zinc/66/75/20/807667520.db2.gz BMWSLPCAXYONMX-QGZVFWFLSA-N 3 1 285.520 3.209 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258897723 807667524 /nfs/dbraw/zinc/66/75/24/807667524.db2.gz BMWSLPCAXYONMX-QGZVFWFLSA-N 3 1 285.520 3.209 20 0 CGADMP Cc1cccc(N([C@@H]2CC[C@@H](C)C2)C2CC[NH2+]CC2)[nH+]1 ZINC001170159214 807780372 /nfs/dbraw/zinc/78/03/72/807780372.db2.gz RFGARVJDHRQOCD-CZUORRHYSA-N 2 1 273.424 3.137 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171018262 807961813 /nfs/dbraw/zinc/96/18/13/807961813.db2.gz QIXRVIAXJHYLCM-LSDHHAIUSA-N 2 1 292.854 3.271 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171093162 807981808 /nfs/dbraw/zinc/98/18/08/807981808.db2.gz DLFZSTDXBSNXOM-CXAGYDPISA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171098080 807983231 /nfs/dbraw/zinc/98/32/31/807983231.db2.gz BPWOWELNZAPZDI-IAGOWNOFSA-N 2 1 292.854 3.271 20 0 CGADMP Cc1ncccc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613057 808105742 /nfs/dbraw/zinc/10/57/42/808105742.db2.gz FNFWJAHNDWSOFI-UHFFFAOYSA-N 2 1 275.440 3.131 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@]3(CCOC3)C2)CC1(C)C ZINC001171631105 808107637 /nfs/dbraw/zinc/10/76/37/808107637.db2.gz DUODKPXUAWZYOV-SFHVURJKSA-N 2 1 294.483 3.140 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@](C)(F)C2)CC1(C)C ZINC001171631384 808107989 /nfs/dbraw/zinc/10/79/89/808107989.db2.gz HUGGLKBJMCXSTG-MRXNPFEDSA-N 2 1 270.436 3.462 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@](C)(CF)C2)CC1(C)C ZINC001171631242 808108074 /nfs/dbraw/zinc/10/80/74/808108074.db2.gz GMHWHTISIGITAN-INIZCTEOSA-N 2 1 270.436 3.319 20 0 CGADMP CC[N@@H+](C1CCN(C)CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171636880 808109020 /nfs/dbraw/zinc/10/90/20/808109020.db2.gz JEJCBKACWOPPQP-UHFFFAOYSA-N 3 1 295.515 3.054 20 0 CGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H](F)C2)CC1(C)C ZINC001171637861 808110089 /nfs/dbraw/zinc/11/00/89/808110089.db2.gz QJMGYKHLKMUELK-GFCCVEGCSA-N 2 1 256.409 3.072 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](F)C2)CC1(C)C ZINC001171637861 808110092 /nfs/dbraw/zinc/11/00/92/808110092.db2.gz QJMGYKHLKMUELK-GFCCVEGCSA-N 2 1 256.409 3.072 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(C2)CCCOC3)CC1(C)C ZINC001171643891 808110787 /nfs/dbraw/zinc/11/07/87/808110787.db2.gz XIDVVXMPRBHEIL-GOSISDBHSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001171658200 808114123 /nfs/dbraw/zinc/11/41/23/808114123.db2.gz PNZDIQMVMHBIJQ-SJLPKXTDSA-N 2 1 274.452 3.390 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC001171752188 808131992 /nfs/dbraw/zinc/13/19/92/808131992.db2.gz QQSVFYVUXQZJMU-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnc3ccccc3c1)C2 ZINC001172102311 808174146 /nfs/dbraw/zinc/17/41/46/808174146.db2.gz LXMTXCLTLDIERI-NNZMDNLPSA-N 2 1 295.430 3.340 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104182 808174317 /nfs/dbraw/zinc/17/43/17/808174317.db2.gz ANFHVSZXCXJUIT-OSYLJGHBSA-N 2 1 272.436 3.408 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)C2 ZINC001172107199 808176067 /nfs/dbraw/zinc/17/60/67/808176067.db2.gz UOIRWQGQPAFLBQ-WBAHDQRJSA-N 2 1 262.441 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)C2 ZINC001172107199 808176070 /nfs/dbraw/zinc/17/60/70/808176070.db2.gz UOIRWQGQPAFLBQ-WBAHDQRJSA-N 2 1 262.441 3.170 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172108496 808176461 /nfs/dbraw/zinc/17/64/61/808176461.db2.gz AQCZHYGAJPYFOF-BMFAXAFESA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ncccc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172108496 808176466 /nfs/dbraw/zinc/17/64/66/808176466.db2.gz AQCZHYGAJPYFOF-BMFAXAFESA-N 2 1 299.462 3.446 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C2 ZINC001172107185 808177090 /nfs/dbraw/zinc/17/70/90/808177090.db2.gz UHNJIAKLNCDEOZ-YIYPIFLZSA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C2 ZINC001172107185 808177095 /nfs/dbraw/zinc/17/70/95/808177095.db2.gz UHNJIAKLNCDEOZ-YIYPIFLZSA-N 2 1 272.383 3.169 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCc3ccccc31)C2 ZINC001172110652 808178027 /nfs/dbraw/zinc/17/80/27/808178027.db2.gz LEDSJGAPUMJOGM-XLAORIBOSA-N 2 1 284.447 3.321 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124112 808184972 /nfs/dbraw/zinc/18/49/72/808184972.db2.gz JNHFHPPGNSZMNF-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124112 808184979 /nfs/dbraw/zinc/18/49/79/808184979.db2.gz JNHFHPPGNSZMNF-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124112 808184985 /nfs/dbraw/zinc/18/49/85/808184985.db2.gz JNHFHPPGNSZMNF-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP CC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124112 808184991 /nfs/dbraw/zinc/18/49/91/808184991.db2.gz JNHFHPPGNSZMNF-CAOSSQGBSA-N 2 1 250.430 3.266 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172126969 808185806 /nfs/dbraw/zinc/18/58/06/808185806.db2.gz ZUVFMFGGAPOOKF-REPLKXPHSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172126969 808185808 /nfs/dbraw/zinc/18/58/08/808185808.db2.gz ZUVFMFGGAPOOKF-REPLKXPHSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172126969 808185812 /nfs/dbraw/zinc/18/58/12/808185812.db2.gz ZUVFMFGGAPOOKF-REPLKXPHSA-N 2 1 286.463 3.485 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172126969 808185815 /nfs/dbraw/zinc/18/58/15/808185815.db2.gz ZUVFMFGGAPOOKF-REPLKXPHSA-N 2 1 286.463 3.485 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172183394 808189889 /nfs/dbraw/zinc/18/98/89/808189889.db2.gz DKVQQAAVZQZULO-ZBFHGGJFSA-N 2 1 290.476 3.025 20 0 CGADMP CC[N@H+](Cc1cccs1)C1CC[NH+](CCCOC)CC1 ZINC001172253068 808210184 /nfs/dbraw/zinc/21/01/84/808210184.db2.gz AYVSUQPHWXVFAY-UHFFFAOYSA-N 2 1 296.480 3.071 20 0 CGADMP CC[N@@H+](Cc1cccs1)C1CC[NH+](CCCOC)CC1 ZINC001172253068 808210187 /nfs/dbraw/zinc/21/01/87/808210187.db2.gz AYVSUQPHWXVFAY-UHFFFAOYSA-N 2 1 296.480 3.071 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172323302 808231585 /nfs/dbraw/zinc/23/15/85/808231585.db2.gz GVEZHEDIMBSZLT-NNXHMXCWSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172323302 808231589 /nfs/dbraw/zinc/23/15/89/808231589.db2.gz GVEZHEDIMBSZLT-NNXHMXCWSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172324523 808233895 /nfs/dbraw/zinc/23/38/95/808233895.db2.gz HHUAQZLQRDMDKQ-WCVJEAGWSA-N 2 1 270.461 3.043 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172335844 808237347 /nfs/dbraw/zinc/23/73/47/808237347.db2.gz KRWHJCDNZBIYGF-ZOBUZTSGSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172335844 808237352 /nfs/dbraw/zinc/23/73/52/808237352.db2.gz KRWHJCDNZBIYGF-ZOBUZTSGSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C[C@@H]1C ZINC001172360862 808255133 /nfs/dbraw/zinc/25/51/33/808255133.db2.gz XVEIBVQKICXYBT-LEOABGAYSA-N 2 1 252.446 3.274 20 0 CGADMP CC[C@H](CC(C)C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001172403337 808291653 /nfs/dbraw/zinc/29/16/53/808291653.db2.gz RGPICMUWRRQUBZ-MRXNPFEDSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@H](CC(C)C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172404484 808293528 /nfs/dbraw/zinc/29/35/28/808293528.db2.gz YREFVCXYRHKCQR-CQSZACIVSA-N 2 1 252.446 3.370 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001172468935 808336556 /nfs/dbraw/zinc/33/65/56/808336556.db2.gz RHBPWPJUTWSPJE-IKGGRYGDSA-N 2 1 284.488 3.146 20 0 CGADMP CC1(C)CC([N@H+](CC[NH3+])Cc2ccccc2)CC(C)(C)O1 ZINC001172641406 808406786 /nfs/dbraw/zinc/40/67/86/808406786.db2.gz WWHMXEVZLFRPTO-UHFFFAOYSA-N 2 1 290.451 3.184 20 0 CGADMP CC1(C)CC([N@@H+](CC[NH3+])Cc2ccccc2)CC(C)(C)O1 ZINC001172641406 808406790 /nfs/dbraw/zinc/40/67/90/808406790.db2.gz WWHMXEVZLFRPTO-UHFFFAOYSA-N 2 1 290.451 3.184 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172730762 808424949 /nfs/dbraw/zinc/42/49/49/808424949.db2.gz PWZGHVLCGRLZBA-IYBDPMFKSA-N 2 1 276.468 3.373 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172730762 808424954 /nfs/dbraw/zinc/42/49/54/808424954.db2.gz PWZGHVLCGRLZBA-IYBDPMFKSA-N 2 1 276.468 3.373 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172730762 808424956 /nfs/dbraw/zinc/42/49/56/808424956.db2.gz PWZGHVLCGRLZBA-IYBDPMFKSA-N 2 1 276.468 3.373 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(F)cc1Cl ZINC001172864312 808467969 /nfs/dbraw/zinc/46/79/69/808467969.db2.gz VGCJYSZXWXJTHO-GFCCVEGCSA-N 2 1 286.822 3.469 20 0 CGADMP CCCOC1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC001173086824 808504304 /nfs/dbraw/zinc/50/43/04/808504304.db2.gz GOJPQWAFPGFYSZ-UHFFFAOYSA-N 2 1 284.488 3.433 20 0 CGADMP CCCOC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001173094501 808507043 /nfs/dbraw/zinc/50/70/43/808507043.db2.gz LHLSSQQWUVPVRA-GGZUSFGKSA-N 2 1 294.483 3.329 20 0 CGADMP CCCOC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001173094501 808507049 /nfs/dbraw/zinc/50/70/49/808507049.db2.gz LHLSSQQWUVPVRA-GGZUSFGKSA-N 2 1 294.483 3.329 20 0 CGADMP CCCOC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001173096880 808508129 /nfs/dbraw/zinc/50/81/29/808508129.db2.gz UTSCMZFSLSAPAZ-BFWZDYSYSA-N 2 1 296.499 3.433 20 0 CGADMP CC[NH+](CC)C1CCC([NH2+]CCCN2CCCCC2)CC1 ZINC001173104594 808510935 /nfs/dbraw/zinc/51/09/35/808510935.db2.gz SDKIWPXFPULRHW-UHFFFAOYSA-N 2 1 295.515 3.105 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC([NH+](CC)CC)CC1 ZINC001173114179 808513389 /nfs/dbraw/zinc/51/33/89/808513389.db2.gz YPTNXFRMQVVNGA-UHFFFAOYSA-N 3 1 297.531 3.303 20 0 CGADMP CCC[N@H+](CCCN(C)C)C1CCC([NH+](CC)CC)CC1 ZINC001173114179 808513395 /nfs/dbraw/zinc/51/33/95/808513395.db2.gz YPTNXFRMQVVNGA-UHFFFAOYSA-N 2 1 297.531 3.303 20 0 CGADMP CCC[N@@H+](CCCN(C)C)C1CCC([NH+](CC)CC)CC1 ZINC001173114179 808513399 /nfs/dbraw/zinc/51/33/99/808513399.db2.gz YPTNXFRMQVVNGA-UHFFFAOYSA-N 2 1 297.531 3.303 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](CC)CCN2CCCC2)CC1 ZINC001173112007 808513529 /nfs/dbraw/zinc/51/35/29/808513529.db2.gz OTVPXBJBZUSCPZ-UHFFFAOYSA-N 2 1 295.515 3.057 20 0 CGADMP [NH3+]CCc1c[nH+]cn1C1CCC2(CCCCC2)CC1 ZINC001173117454 808515280 /nfs/dbraw/zinc/51/52/80/808515280.db2.gz MFPZSVWLDDSDKY-UHFFFAOYSA-N 2 1 261.413 3.450 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC001173252139 808559885 /nfs/dbraw/zinc/55/98/85/808559885.db2.gz IMBWBUGMCJHOBX-HNNXBMFYSA-N 2 1 274.452 3.206 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001173261015 808565934 /nfs/dbraw/zinc/56/59/34/808565934.db2.gz VZROYVGAVOECDL-BBWFWOEESA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001173261015 808565942 /nfs/dbraw/zinc/56/59/42/808565942.db2.gz VZROYVGAVOECDL-BBWFWOEESA-N 2 1 266.473 3.475 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001173261015 808565951 /nfs/dbraw/zinc/56/59/51/808565951.db2.gz VZROYVGAVOECDL-BBWFWOEESA-N 2 1 266.473 3.475 20 0 CGADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCCC2(CCCCC2)C1 ZINC001173338769 808618373 /nfs/dbraw/zinc/61/83/73/808618373.db2.gz JXSBWYALICHMPX-AWEZNQCLSA-N 2 1 261.413 3.450 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](C[C@H]3CC=CCC3)C2)C1 ZINC001275040631 808900775 /nfs/dbraw/zinc/90/07/75/808900775.db2.gz OYQFLKJWUJJLRL-IRXDYDNUSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001275040631 808900780 /nfs/dbraw/zinc/90/07/80/808900780.db2.gz OYQFLKJWUJJLRL-IRXDYDNUSA-N 2 1 262.441 3.151 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](C[C@H]3CC=CCC3)C2)C1 ZINC001275040631 808900785 /nfs/dbraw/zinc/90/07/85/808900785.db2.gz OYQFLKJWUJJLRL-IRXDYDNUSA-N 2 1 262.441 3.151 20 0 CGADMP CCC[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001275103165 808908051 /nfs/dbraw/zinc/90/80/51/808908051.db2.gz FYVODHKMCWIELU-OKILXGFUSA-N 2 1 292.389 3.383 20 0 CGADMP CCC[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001275103165 808908058 /nfs/dbraw/zinc/90/80/58/808908058.db2.gz FYVODHKMCWIELU-OKILXGFUSA-N 2 1 292.389 3.383 20 0 CGADMP CCC[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001275103165 808908061 /nfs/dbraw/zinc/90/80/61/808908061.db2.gz FYVODHKMCWIELU-OKILXGFUSA-N 2 1 292.389 3.383 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc4cc[nH]c43)CC2)C1 ZINC001275164259 808918416 /nfs/dbraw/zinc/91/84/16/808918416.db2.gz FWTBUQPJSDTZPQ-UHFFFAOYSA-N 2 1 297.446 3.476 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001275164347 808918670 /nfs/dbraw/zinc/91/86/70/808918670.db2.gz KCMDJJJAZWPEGJ-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001275164347 808918677 /nfs/dbraw/zinc/91/86/77/808918677.db2.gz KCMDJJJAZWPEGJ-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001275164347 808918683 /nfs/dbraw/zinc/91/86/83/808918683.db2.gz KCMDJJJAZWPEGJ-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP c1cc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c[nH]1 ZINC001276101560 808987463 /nfs/dbraw/zinc/98/74/63/808987463.db2.gz ASFQWVFVOLGMPE-UHFFFAOYSA-N 2 1 287.451 3.245 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)cc(Cl)c1 ZINC001276242526 808995303 /nfs/dbraw/zinc/99/53/03/808995303.db2.gz PJKPURGPUXKKJV-MQVJKMGUSA-N 2 1 278.827 3.363 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)cc(Cl)c1 ZINC001276242526 808995306 /nfs/dbraw/zinc/99/53/06/808995306.db2.gz PJKPURGPUXKKJV-MQVJKMGUSA-N 2 1 278.827 3.363 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C)c(F)c3F)(C1)CCC2 ZINC001276378201 809004780 /nfs/dbraw/zinc/00/47/80/809004780.db2.gz MWROTTMQOIGUMB-DLBZAZTESA-N 2 1 294.389 3.428 20 0 CGADMP CC/C=C\CCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276466148 809011000 /nfs/dbraw/zinc/01/10/00/809011000.db2.gz XFWIAYDHOMODCK-RLPXRCBWSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C\CCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276466148 809011007 /nfs/dbraw/zinc/01/10/07/809011007.db2.gz XFWIAYDHOMODCK-RLPXRCBWSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C\CCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276466148 809011013 /nfs/dbraw/zinc/01/10/13/809011013.db2.gz XFWIAYDHOMODCK-RLPXRCBWSA-N 2 1 250.430 3.006 20 0 CGADMP Cc1cccc(F)c1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276689009 809025151 /nfs/dbraw/zinc/02/51/51/809025151.db2.gz XUFSHRQWCIGJEV-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc[nH+]c(N2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001277679670 809088628 /nfs/dbraw/zinc/08/86/28/809088628.db2.gz IFVKCCXUZLHNTR-UHFFFAOYSA-N 2 1 285.435 3.235 20 0 CGADMP FC(F)(F)CCC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1 ZINC001277693923 809089636 /nfs/dbraw/zinc/08/96/36/809089636.db2.gz NDWQLDNTVNTATN-KBPBESRZSA-N 2 1 299.340 3.077 20 0 CGADMP CC(C)[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277799458 809096861 /nfs/dbraw/zinc/09/68/61/809096861.db2.gz STMKCFBHCZLVRN-INIZCTEOSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277799458 809096866 /nfs/dbraw/zinc/09/68/66/809096866.db2.gz STMKCFBHCZLVRN-INIZCTEOSA-N 2 1 250.430 3.125 20 0 CGADMP CC(C)[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277799458 809096872 /nfs/dbraw/zinc/09/68/72/809096872.db2.gz STMKCFBHCZLVRN-INIZCTEOSA-N 2 1 250.430 3.125 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001177319034 809794080 /nfs/dbraw/zinc/79/40/80/809794080.db2.gz RANGRGOCCQSOOX-CYBMUJFWSA-N 2 1 298.377 3.028 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001177319034 809794082 /nfs/dbraw/zinc/79/40/82/809794082.db2.gz RANGRGOCCQSOOX-CYBMUJFWSA-N 2 1 298.377 3.028 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC001178872128 809892682 /nfs/dbraw/zinc/89/26/82/809892682.db2.gz FDCFHTXRXHSEED-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+](C)CCC[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC001181556058 810059135 /nfs/dbraw/zinc/05/91/35/810059135.db2.gz SNCOJYXWFZNMMZ-UHFFFAOYSA-N 2 1 289.250 3.419 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC001181556058 810059138 /nfs/dbraw/zinc/05/91/38/810059138.db2.gz SNCOJYXWFZNMMZ-UHFFFAOYSA-N 2 1 289.250 3.419 20 0 CGADMP CCO[C@@H](C[NH2+][C@H]1CCCC12CCCCC2)C[NH+](C)C ZINC001183756231 810159757 /nfs/dbraw/zinc/15/97/57/810159757.db2.gz ZPIMTLJDEJHBEC-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(C)(c4ccccc4)C3)[C@@H]2C1 ZINC001184388760 810196493 /nfs/dbraw/zinc/19/64/93/810196493.db2.gz SQXQSLGUWNLLSK-MUXQXJNHSA-N 2 1 284.447 3.037 20 0 CGADMP CN1C[C@]2(C)C[N@@H+](CC3CCC4(CC4)CC3)C[C@]2(C)C1 ZINC001196631445 811356747 /nfs/dbraw/zinc/35/67/47/811356747.db2.gz FRGBXAHKDMJLKL-CALCHBBNSA-N 2 1 276.468 3.230 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3CCC4(CC4)CC3)C[C@]2(C)C1 ZINC001196631445 811356751 /nfs/dbraw/zinc/35/67/51/811356751.db2.gz FRGBXAHKDMJLKL-CALCHBBNSA-N 2 1 276.468 3.230 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CC3CCC4(CC4)CC3)C[C@]2(C)C1 ZINC001196631445 811356763 /nfs/dbraw/zinc/35/67/63/811356763.db2.gz FRGBXAHKDMJLKL-CALCHBBNSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CC3CCC4(CC4)CC3)C[C@]2(C)C1 ZINC001196631445 811356770 /nfs/dbraw/zinc/35/67/70/811356770.db2.gz FRGBXAHKDMJLKL-CALCHBBNSA-N 2 1 276.468 3.230 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CC3CCC4(CC4)CC3)C[C@]2(C)C1 ZINC001196631445 811356777 /nfs/dbraw/zinc/35/67/77/811356777.db2.gz FRGBXAHKDMJLKL-CALCHBBNSA-N 2 1 276.468 3.230 20 0 CGADMP CC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201442210 811849478 /nfs/dbraw/zinc/84/94/78/811849478.db2.gz UVHSDMXTVUJLOT-QZTJIDSGSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201442210 811849487 /nfs/dbraw/zinc/84/94/87/811849487.db2.gz UVHSDMXTVUJLOT-QZTJIDSGSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201442210 811849494 /nfs/dbraw/zinc/84/94/94/811849494.db2.gz UVHSDMXTVUJLOT-QZTJIDSGSA-N 2 1 286.463 3.486 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC(C)(C)C ZINC001201443803 811850491 /nfs/dbraw/zinc/85/04/91/811850491.db2.gz VIUZQNCFMKVKCX-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC(C)(C)C ZINC001201443803 811850494 /nfs/dbraw/zinc/85/04/94/811850494.db2.gz VIUZQNCFMKVKCX-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC(C)(C)C ZINC001201443803 811850502 /nfs/dbraw/zinc/85/05/02/811850502.db2.gz VIUZQNCFMKVKCX-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201478494 811855542 /nfs/dbraw/zinc/85/55/42/811855542.db2.gz MYIPPBJMSUUDDX-ROUUACIJSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201478494 811855554 /nfs/dbraw/zinc/85/55/54/811855554.db2.gz MYIPPBJMSUUDDX-ROUUACIJSA-N 2 1 272.436 3.096 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001201501158 811870316 /nfs/dbraw/zinc/87/03/16/811870316.db2.gz HEIJNQOKYSZDQP-RRFJBIMHSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)CC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201620962 811921638 /nfs/dbraw/zinc/92/16/38/811921638.db2.gz USEZHXNMRPNYDJ-IYBDPMFKSA-N 2 1 276.424 3.079 20 0 CGADMP CC(C)CC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201620962 811921642 /nfs/dbraw/zinc/92/16/42/811921642.db2.gz USEZHXNMRPNYDJ-IYBDPMFKSA-N 2 1 276.424 3.079 20 0 CGADMP CC(C)CC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001201620962 811921646 /nfs/dbraw/zinc/92/16/46/811921646.db2.gz USEZHXNMRPNYDJ-IYBDPMFKSA-N 2 1 276.424 3.079 20 0 CGADMP CC(C)CC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001201620962 811921649 /nfs/dbraw/zinc/92/16/49/811921649.db2.gz USEZHXNMRPNYDJ-IYBDPMFKSA-N 2 1 276.424 3.079 20 0 CGADMP CCC[N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001201652571 811931282 /nfs/dbraw/zinc/93/12/82/811931282.db2.gz QMPJDTKONARENW-UHFFFAOYSA-N 2 1 264.388 3.132 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001203033352 812221377 /nfs/dbraw/zinc/22/13/77/812221377.db2.gz WVCFBTBLWWAKRD-HUUCEWRRSA-N 2 1 254.462 3.379 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC001203753423 812454986 /nfs/dbraw/zinc/45/49/86/812454986.db2.gz BXGYUGCWAPNRIP-UHFFFAOYSA-N 2 1 290.451 3.086 20 0 CGADMP c1c[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001204005779 812515797 /nfs/dbraw/zinc/51/57/97/812515797.db2.gz QHDAFZQEZMITLJ-UHFFFAOYSA-N 2 1 299.418 3.096 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204266128 812592711 /nfs/dbraw/zinc/59/27/11/812592711.db2.gz LFDNSLJEHFSKBO-INIZCTEOSA-N 2 1 290.451 3.249 20 0 CGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC(C)(C)C2)cc1 ZINC001204269053 812592770 /nfs/dbraw/zinc/59/27/70/812592770.db2.gz UACQSFKKKIEUED-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2CCC3)CC1 ZINC001204714718 812714999 /nfs/dbraw/zinc/71/49/99/812714999.db2.gz ZCSCRKPBDDCVAY-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP Fc1ccc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204734806 812719807 /nfs/dbraw/zinc/71/98/07/812719807.db2.gz FQIGYYABTAYGAH-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001205058612 812841989 /nfs/dbraw/zinc/84/19/89/812841989.db2.gz OZLALYWXKDFNCD-MZGVZZPPSA-N 2 1 278.827 3.255 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001205058612 812841999 /nfs/dbraw/zinc/84/19/99/812841999.db2.gz OZLALYWXKDFNCD-MZGVZZPPSA-N 2 1 278.827 3.255 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001205094558 812861312 /nfs/dbraw/zinc/86/13/12/812861312.db2.gz MWDSOGKOVYKBSK-QGZVFWFLSA-N 2 1 260.425 3.213 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(C)c1C ZINC001205095602 812861451 /nfs/dbraw/zinc/86/14/51/812861451.db2.gz HGFOBWOMIJLXAB-UHFFFAOYSA-N 2 1 262.441 3.467 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2c(Cl)ncc3ccccc32)CC1 ZINC001205109300 812869206 /nfs/dbraw/zinc/86/92/06/812869206.db2.gz DQZYDZJJKSINJM-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c(Cl)ncc3ccccc32)CC1 ZINC001205109300 812869215 /nfs/dbraw/zinc/86/92/15/812869215.db2.gz DQZYDZJJKSINJM-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001205110602 812871476 /nfs/dbraw/zinc/87/14/76/812871476.db2.gz WWTDVWIFAZBPQA-KRWDZBQOSA-N 2 1 299.393 3.201 20 0 CGADMP Cc1c(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1Cl ZINC001205123720 812876999 /nfs/dbraw/zinc/87/69/99/812876999.db2.gz FWPIOXCAYVGJJZ-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124557 812877846 /nfs/dbraw/zinc/87/78/46/812877846.db2.gz VEVKYOCDIKYTAT-MRXNPFEDSA-N 2 1 290.451 3.404 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1C[NH3+] ZINC001205130295 812880031 /nfs/dbraw/zinc/88/00/31/812880031.db2.gz AVQUYMUHLDBTOA-HNAYVOBHSA-N 2 1 280.415 3.380 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205170799 812897836 /nfs/dbraw/zinc/89/78/36/812897836.db2.gz DVTYDEUGIAQSOW-HDMKZQKVSA-N 2 1 274.452 3.410 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC001205255053 812918217 /nfs/dbraw/zinc/91/82/17/812918217.db2.gz FMHBTGQUDSZQNV-AWEZNQCLSA-N 2 1 286.341 3.409 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC001205255053 812918219 /nfs/dbraw/zinc/91/82/19/812918219.db2.gz FMHBTGQUDSZQNV-AWEZNQCLSA-N 2 1 286.341 3.409 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCCc2cccc(Cl)c2)CC1 ZINC001205257961 812918722 /nfs/dbraw/zinc/91/87/22/812918722.db2.gz ZMXWLJAWOMUSDZ-INIZCTEOSA-N 2 1 280.843 3.476 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)[nH]1 ZINC001205264805 812921891 /nfs/dbraw/zinc/92/18/91/812921891.db2.gz MYGMJWILINEXIX-INIZCTEOSA-N 2 1 263.429 3.016 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)c1 ZINC001205265633 812922592 /nfs/dbraw/zinc/92/25/92/812922592.db2.gz QFRDRRPUIUHYAW-KRWDZBQOSA-N 2 1 276.424 3.097 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001205266928 812923377 /nfs/dbraw/zinc/92/33/77/812923377.db2.gz YEFCNWRSOILKNE-MRXNPFEDSA-N 2 1 275.371 3.010 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001205288686 812933289 /nfs/dbraw/zinc/93/32/89/812933289.db2.gz NIQAFRDOWUXWRV-MRXNPFEDSA-N 2 1 275.371 3.010 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001205288686 812933291 /nfs/dbraw/zinc/93/32/91/812933291.db2.gz NIQAFRDOWUXWRV-MRXNPFEDSA-N 2 1 275.371 3.010 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205296098 812935405 /nfs/dbraw/zinc/93/54/05/812935405.db2.gz GREPWKSLYJYLCB-QAPCUYQASA-N 2 1 274.452 3.269 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC001205295742 812936076 /nfs/dbraw/zinc/93/60/76/812936076.db2.gz BJVPNCCBUSAVFM-HIFRSBDPSA-N 2 1 280.843 3.189 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205296251 812937513 /nfs/dbraw/zinc/93/75/13/812937513.db2.gz JZJZXKAAAXAXPX-HRCADAONSA-N 2 1 252.446 3.286 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)CC(C)(C)C ZINC001205297133 812937651 /nfs/dbraw/zinc/93/76/51/812937651.db2.gz ZPUFJWPLWFUZDM-RBSFLKMASA-N 2 1 254.462 3.366 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1C[NH3+] ZINC001205317171 812949784 /nfs/dbraw/zinc/94/97/84/812949784.db2.gz MYXGQIVZGMRMQX-KDOFPFPSSA-N 2 1 272.436 3.371 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205317965 812951279 /nfs/dbraw/zinc/95/12/79/812951279.db2.gz RBIXNAZHDXELQU-BXUZGUMPSA-N 2 1 280.843 3.374 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)C[C@H]1C[NH3+] ZINC001205319091 812951708 /nfs/dbraw/zinc/95/17/08/812951708.db2.gz YRFHOWIGBGEIOT-DZGCQCFKSA-N 2 1 286.394 3.396 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCc2cccc(Cl)c2)CC1 ZINC001205537160 812997004 /nfs/dbraw/zinc/99/70/04/812997004.db2.gz DKXVVDGTMKIUAS-MRXNPFEDSA-N 2 1 298.833 3.426 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC001205545864 813000607 /nfs/dbraw/zinc/00/06/07/813000607.db2.gz NWTBVISVYMSISK-LBPRGKRZSA-N 2 1 276.808 3.054 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC001205578660 813010463 /nfs/dbraw/zinc/01/04/63/813010463.db2.gz IGCXWZCOARIWCH-GFCCVEGCSA-N 2 1 276.808 3.054 20 0 CGADMP C[C@H]1CC[N@@H+](CC2(c3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001205600925 813017519 /nfs/dbraw/zinc/01/75/19/813017519.db2.gz CLXIRCRQXCCMFQ-HOTGVXAUSA-N 2 1 272.436 3.025 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205600922 813018285 /nfs/dbraw/zinc/01/82/85/813018285.db2.gz CLTLOXOTRUBPFV-UKRRQHHQSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCC2CCCC2)CC[C@@H]1C[NH3+] ZINC001205603563 813019840 /nfs/dbraw/zinc/01/98/40/813019840.db2.gz QIESCHOVPFRPEN-GDBMZVCRSA-N 2 1 252.446 3.264 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(C)c1C ZINC001205605368 813021540 /nfs/dbraw/zinc/02/15/40/813021540.db2.gz ZZKQKJQAEHLSAO-XJKSGUPXSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC001205604744 813021685 /nfs/dbraw/zinc/02/16/85/813021685.db2.gz WONGTLNHBJRBJV-CHWSQXEVSA-N 2 1 266.816 3.147 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cccnc3c2)CC[C@@H]1C[NH3+] ZINC001205616004 813026754 /nfs/dbraw/zinc/02/67/54/813026754.db2.gz BRHJLVPJJPRXSO-RHSMWYFYSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c1F ZINC001205616781 813027707 /nfs/dbraw/zinc/02/77/07/813027707.db2.gz GXMWCOBOTSOXKG-AAEUAGOBSA-N 2 1 282.378 3.080 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618186 813028455 /nfs/dbraw/zinc/02/84/55/813028455.db2.gz SKUWWXZNPBUJRT-CVEARBPZSA-N 2 1 299.462 3.468 20 0 CGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)c1 ZINC001205625968 813032703 /nfs/dbraw/zinc/03/27/03/813032703.db2.gz DAUWUJOKDAGGBD-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)sc1C ZINC001205638937 813038126 /nfs/dbraw/zinc/03/81/26/813038126.db2.gz TVFASCKOYNEOGQ-FZMZJTMJSA-N 2 1 266.454 3.172 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCC[C@H]1C ZINC001205696275 813053969 /nfs/dbraw/zinc/05/39/69/813053969.db2.gz FZTUXJWKLKOAAY-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP CCc1cccc2c(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c[nH]c21 ZINC001205815156 813091278 /nfs/dbraw/zinc/09/12/78/813091278.db2.gz FOBAAZWOLNODME-CZUORRHYSA-N 2 1 285.435 3.290 20 0 CGADMP CCc1cccc2c(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c[nH]c21 ZINC001205815156 813091288 /nfs/dbraw/zinc/09/12/88/813091288.db2.gz FOBAAZWOLNODME-CZUORRHYSA-N 2 1 285.435 3.290 20 0 CGADMP COc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(C)c1C ZINC001205816299 813093541 /nfs/dbraw/zinc/09/35/41/813093541.db2.gz LLBCYAUMDYDEQJ-MLGOLLRUSA-N 2 1 290.451 3.180 20 0 CGADMP COc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(C)c1C ZINC001205816299 813093548 /nfs/dbraw/zinc/09/35/48/813093548.db2.gz LLBCYAUMDYDEQJ-MLGOLLRUSA-N 2 1 290.451 3.180 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205828260 813100671 /nfs/dbraw/zinc/10/06/71/813100671.db2.gz KOPOIZRLAPGRMM-BXUZGUMPSA-N 2 1 291.826 3.381 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205828260 813100673 /nfs/dbraw/zinc/10/06/73/813100673.db2.gz KOPOIZRLAPGRMM-BXUZGUMPSA-N 2 1 291.826 3.381 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205839083 813102881 /nfs/dbraw/zinc/10/28/81/813102881.db2.gz DOKZIUTXBQKHAE-GOEBONIOSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205839083 813102888 /nfs/dbraw/zinc/10/28/88/813102888.db2.gz DOKZIUTXBQKHAE-GOEBONIOSA-N 2 1 260.425 3.369 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cccc2n1 ZINC001205855882 813109941 /nfs/dbraw/zinc/10/99/41/813109941.db2.gz QFPABTOUMHCLOC-XJKSGUPXSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cccc2n1 ZINC001205855882 813109946 /nfs/dbraw/zinc/10/99/46/813109946.db2.gz QFPABTOUMHCLOC-XJKSGUPXSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c12 ZINC001205855886 813110239 /nfs/dbraw/zinc/11/02/39/813110239.db2.gz QGIVNLDBYYXBDK-XJKSGUPXSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c12 ZINC001205855886 813110246 /nfs/dbraw/zinc/11/02/46/813110246.db2.gz QGIVNLDBYYXBDK-XJKSGUPXSA-N 2 1 283.419 3.102 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCC(C)(C)c1ccccc1 ZINC001205901001 813123301 /nfs/dbraw/zinc/12/33/01/813123301.db2.gz AJGSCLDMYZCNAH-HZPDHXFCSA-N 2 1 274.452 3.414 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205903046 813123985 /nfs/dbraw/zinc/12/39/85/813123985.db2.gz NERWUYBWYQRZID-UONOGXRCSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC001205904710 813125811 /nfs/dbraw/zinc/12/58/11/813125811.db2.gz WQXZWGWBGVKPQX-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@H](C[NH3+])[C@H]3C)ccc2c1 ZINC001205904852 813128225 /nfs/dbraw/zinc/12/82/25/813128225.db2.gz XESOHJMSXKTPQJ-RDTXWAMCSA-N 2 1 298.430 3.408 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205913118 813129125 /nfs/dbraw/zinc/12/91/25/813129125.db2.gz HDHJDASTGUWVDG-RHSMWYFYSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205915189 813130872 /nfs/dbraw/zinc/13/08/72/813130872.db2.gz OTBMMUIAEZXZRK-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205923348 813135854 /nfs/dbraw/zinc/13/58/54/813135854.db2.gz NFYQIMWQHOMNRY-ZFWWWQNUSA-N 2 1 278.465 3.276 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001205923187 813136080 /nfs/dbraw/zinc/13/60/80/813136080.db2.gz KMPUSFKBWGXGEX-SWLSCSKDSA-N 2 1 276.399 3.262 20 0 CGADMP C[C@@H]1C[N@@H+](CCc2ccc(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205985651 813153150 /nfs/dbraw/zinc/15/31/50/813153150.db2.gz ZDTYXROZOSQFQD-OCCSQVGLSA-N 2 1 298.833 3.328 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCC[C@@H]1C[NH3+] ZINC001205991356 813154291 /nfs/dbraw/zinc/15/42/91/813154291.db2.gz AFKINPOTUDPWDC-GDBMZVCRSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCC[C@H]1C[NH3+] ZINC001205995787 813156644 /nfs/dbraw/zinc/15/66/44/813156644.db2.gz QKSZVMBTGXDYHJ-DOMZBBRYSA-N 2 1 282.378 3.431 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205994430 813157165 /nfs/dbraw/zinc/15/71/65/813157165.db2.gz LMVWBUYAMOGRDW-NVXWUHKLSA-N 2 1 290.451 3.282 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3F)CCC[C@@H]1C[NH3+] ZINC001205997079 813157936 /nfs/dbraw/zinc/15/79/36/813157936.db2.gz ZQYQGQQQVCBRED-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206005206 813161977 /nfs/dbraw/zinc/16/19/77/813161977.db2.gz WYWFBIFTVOYICK-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCC[C@H]1C[NH3+] ZINC001206011204 813163374 /nfs/dbraw/zinc/16/33/74/813163374.db2.gz AOWBHTKSQNCKNJ-WFASDCNBSA-N 2 1 282.378 3.431 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206027920 813170398 /nfs/dbraw/zinc/17/03/98/813170398.db2.gz XFMRDJAEWKPYNY-CABCVRRESA-N 2 1 278.415 3.249 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206028825 813171261 /nfs/dbraw/zinc/17/12/61/813171261.db2.gz ZMAINQGWANYBLL-ZIAGYGMSSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206036116 813176189 /nfs/dbraw/zinc/17/61/89/813176189.db2.gz GTMMFSKCZASZAW-KGLIPLIRSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC001206110237 813203541 /nfs/dbraw/zinc/20/35/41/813203541.db2.gz QYNDNGCWQVYTIO-CABCVRRESA-N 2 1 272.436 3.200 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)CC[C@H]1F ZINC001206154123 813217484 /nfs/dbraw/zinc/21/74/84/813217484.db2.gz GQORKTCZAXUKEI-SBZGPEHISA-N 2 1 294.458 3.354 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)CC[C@H]1F ZINC001206154123 813217491 /nfs/dbraw/zinc/21/74/91/813217491.db2.gz GQORKTCZAXUKEI-SBZGPEHISA-N 2 1 294.458 3.354 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@H]1F ZINC001206167320 813222360 /nfs/dbraw/zinc/22/23/60/813222360.db2.gz YHBVHANFCSCFOX-CHWSQXEVSA-N 2 1 295.789 3.083 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188934 813233392 /nfs/dbraw/zinc/23/33/92/813233392.db2.gz WIVAJNKABCKDEF-HOTGVXAUSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188934 813233395 /nfs/dbraw/zinc/23/33/95/813233395.db2.gz WIVAJNKABCKDEF-HOTGVXAUSA-N 2 1 294.414 3.043 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@H]1F ZINC001206196673 813236692 /nfs/dbraw/zinc/23/66/92/813236692.db2.gz CKHBGCBIOVNHJW-IAGOWNOFSA-N 2 1 276.399 3.215 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001206292438 813274737 /nfs/dbraw/zinc/27/47/37/813274737.db2.gz ANSCCLZKZVVHSW-QGZVFWFLSA-N 2 1 260.425 3.070 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001206304660 813281419 /nfs/dbraw/zinc/28/14/19/813281419.db2.gz NNDLGEFAMGBUOB-KRWDZBQOSA-N 2 1 289.398 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cccnc3c2)CC1 ZINC001206305406 813282063 /nfs/dbraw/zinc/28/20/63/813282063.db2.gz YLPVOXGCTUFGBM-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2csc(Cl)c2)CC1 ZINC001206311738 813284695 /nfs/dbraw/zinc/28/46/95/813284695.db2.gz TYNUOGYIOHCLEK-CYBMUJFWSA-N 2 1 272.845 3.352 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)sc1C ZINC001206317059 813287149 /nfs/dbraw/zinc/28/71/49/813287149.db2.gz BUYWRCJSCABREL-OAHLLOKOSA-N 2 1 266.454 3.316 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)c1 ZINC001206325787 813289408 /nfs/dbraw/zinc/28/94/08/813289408.db2.gz JVPNHZFIXFCMAJ-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP CSc1ncc(C)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206327804 813291623 /nfs/dbraw/zinc/29/16/23/813291623.db2.gz YDNSBGBCZFORNN-INIZCTEOSA-N 2 1 293.480 3.063 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)c[nH]c21 ZINC001206344675 813297121 /nfs/dbraw/zinc/29/71/21/813297121.db2.gz WNGNWNXILMCVFN-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)c[nH]c21 ZINC001206344675 813297127 /nfs/dbraw/zinc/29/71/27/813297127.db2.gz WNGNWNXILMCVFN-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC2(CSC2)CC1 ZINC001206538414 813342230 /nfs/dbraw/zinc/34/22/30/813342230.db2.gz XXJBCNBBWICURH-UHFFFAOYSA-N 2 1 284.513 3.230 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001206542204 813344550 /nfs/dbraw/zinc/34/45/50/813344550.db2.gz UVTPVCFQXYPULJ-AWEZNQCLSA-N 2 1 274.399 3.263 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC001206541890 813345695 /nfs/dbraw/zinc/34/56/95/813345695.db2.gz MRTFFMPGOFMIPC-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549564 813349527 /nfs/dbraw/zinc/34/95/27/813349527.db2.gz OVQDBYWEEOTLCK-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549564 813349531 /nfs/dbraw/zinc/34/95/31/813349531.db2.gz OVQDBYWEEOTLCK-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001206556662 813352205 /nfs/dbraw/zinc/35/22/05/813352205.db2.gz UXHWMPIABBFTQS-LJQANCHMSA-N 2 1 298.430 3.496 20 0 CGADMP COc1c(Cl)cccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556408 813352553 /nfs/dbraw/zinc/35/25/53/813352553.db2.gz RGJNKYXXHBILSJ-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556408 813352560 /nfs/dbraw/zinc/35/25/60/813352560.db2.gz RGJNKYXXHBILSJ-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001206573227 813359372 /nfs/dbraw/zinc/35/93/72/813359372.db2.gz KJHFIMKFHMKWIG-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001206573227 813359379 /nfs/dbraw/zinc/35/93/79/813359379.db2.gz KJHFIMKFHMKWIG-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cccc2n1 ZINC001206579939 813361946 /nfs/dbraw/zinc/36/19/46/813361946.db2.gz BKRZUVASHRBTPZ-IBGZPJMESA-N 2 1 297.446 3.494 20 0 CGADMP CCc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)o1 ZINC001206582431 813362223 /nfs/dbraw/zinc/36/22/23/813362223.db2.gz NWDFILPLTUQKHK-AWEZNQCLSA-N 2 1 264.413 3.195 20 0 CGADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1F ZINC001206580112 813362687 /nfs/dbraw/zinc/36/26/87/813362687.db2.gz CHASNXUHDXVTTM-MRXNPFEDSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)[N@@H+](CCc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206582427 813363146 /nfs/dbraw/zinc/36/31/46/813363146.db2.gz NQGGYKQPMWKRHF-KRWDZBQOSA-N 2 1 278.415 3.221 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001206606307 813373398 /nfs/dbraw/zinc/37/33/98/813373398.db2.gz KCWGODMASAERIF-ARFHVFGLSA-N 2 1 250.430 3.040 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2coc3ccc(F)cc23)C1 ZINC001206623261 813377502 /nfs/dbraw/zinc/37/75/02/813377502.db2.gz KPKVTEJGIQXXEX-GFCCVEGCSA-N 2 1 276.355 3.133 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641209 813384340 /nfs/dbraw/zinc/38/43/40/813384340.db2.gz ULUUJPFFOWYIGO-HNNXBMFYSA-N 2 1 298.430 3.409 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206648145 813387155 /nfs/dbraw/zinc/38/71/55/813387155.db2.gz MFXCPANZABIUIX-CQSZACIVSA-N 2 1 278.465 3.278 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714205 813405079 /nfs/dbraw/zinc/40/50/79/813405079.db2.gz BJJRSNUDRGIVBE-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714205 813405084 /nfs/dbraw/zinc/40/50/84/813405084.db2.gz BJJRSNUDRGIVBE-HUUCEWRRSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1ccc(-c2ccc(C[NH+]3CC(C)(C[NH3+])C3)cc2)cc1 ZINC001206722680 813407314 /nfs/dbraw/zinc/40/73/14/813407314.db2.gz FUFZGPYXUGPQKI-UHFFFAOYSA-N 2 1 280.415 3.443 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206760745 813426360 /nfs/dbraw/zinc/42/63/60/813426360.db2.gz LCNKYGVRAXSDCJ-DOTOQJQBSA-N 2 1 274.452 3.412 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1OC(C)C ZINC001206770140 813432117 /nfs/dbraw/zinc/43/21/17/813432117.db2.gz ROWUZCXNVWMPJA-HZPDHXFCSA-N 2 1 290.451 3.341 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1-n1cccc1 ZINC001206807254 813441543 /nfs/dbraw/zinc/44/15/43/813441543.db2.gz IAWUELCHCZLUKG-HZPDHXFCSA-N 2 1 283.419 3.037 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206805178 813442034 /nfs/dbraw/zinc/44/20/34/813442034.db2.gz APXKOZRUSAYGMU-YPMHNXCESA-N 2 1 266.816 3.208 20 0 CGADMP CC1(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC001206828451 813447437 /nfs/dbraw/zinc/44/74/37/813447437.db2.gz XRRKJELEYAGKGF-MRXNPFEDSA-N 2 1 264.457 3.278 20 0 CGADMP CC1=CC[C@H](CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1(C)C ZINC001207277061 813531916 /nfs/dbraw/zinc/53/19/16/813531916.db2.gz QJBRKLSBFIDPBM-AEFFLSMTSA-N 2 1 276.468 3.397 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207283620 813533586 /nfs/dbraw/zinc/53/35/86/813533586.db2.gz AXBYQUPCMCSFEC-KRWDZBQOSA-N 2 1 290.451 3.420 20 0 CGADMP COc1cccc([C@H]2CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)c1 ZINC001207287791 813536527 /nfs/dbraw/zinc/53/65/27/813536527.db2.gz FKNCEOZODHEMRK-INIZCTEOSA-N 2 1 290.451 3.072 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H]2CCOC(C)(C)C2)CC1 ZINC001207357984 813550201 /nfs/dbraw/zinc/55/02/01/813550201.db2.gz NZDYDHOZTKNNNN-KRWDZBQOSA-N 2 1 296.499 3.244 20 0 CGADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)C2CCC2)CC1 ZINC001207400154 813556501 /nfs/dbraw/zinc/55/65/01/813556501.db2.gz BTDAVCOINSWHSO-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001207398339 813556881 /nfs/dbraw/zinc/55/68/81/813556881.db2.gz JDVMLGCFEWJHIW-SFHVURJKSA-N 2 1 272.436 3.208 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001207398545 813557286 /nfs/dbraw/zinc/55/72/86/813557286.db2.gz YNSMGKPCZALIGY-UHFFFAOYSA-N 2 1 276.468 3.229 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC001207738939 813643501 /nfs/dbraw/zinc/64/35/01/813643501.db2.gz QZJHLCCLGRORHB-MRXNPFEDSA-N 2 1 274.452 3.236 20 0 CGADMP C[N@@H+](CC/C=C/c1cccnc1)CC1(C)CC[NH+](C)CC1 ZINC001208110068 813694603 /nfs/dbraw/zinc/69/46/03/813694603.db2.gz VWFZEYLCIJAWKK-QPJJXVBHSA-N 2 1 287.451 3.149 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC001208152850 813710583 /nfs/dbraw/zinc/71/05/83/813710583.db2.gz AMMFBPYZVGMMDP-AWEZNQCLSA-N 2 1 278.440 3.355 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)CC1 ZINC001208592976 813769455 /nfs/dbraw/zinc/76/94/55/813769455.db2.gz NRKFOOMCIJFMAQ-CABCVRRESA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@@H+](CCc1ccccn1)CC1CC[NH+](CC)CC1 ZINC001208602172 813771322 /nfs/dbraw/zinc/77/13/22/813771322.db2.gz ZSQGWXWVRZMWKB-UHFFFAOYSA-N 2 1 289.467 3.068 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607636 813775786 /nfs/dbraw/zinc/77/57/86/813775786.db2.gz DRDDBLKUDWRCTN-ZBFHGGJFSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607636 813775789 /nfs/dbraw/zinc/77/57/89/813775789.db2.gz DRDDBLKUDWRCTN-ZBFHGGJFSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607636 813775792 /nfs/dbraw/zinc/77/57/92/813775792.db2.gz DRDDBLKUDWRCTN-ZBFHGGJFSA-N 2 1 292.854 3.471 20 0 CGADMP C(C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1)C1CC1 ZINC001208680388 813792829 /nfs/dbraw/zinc/79/28/29/813792829.db2.gz DLHAJWVITJFTHF-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP CC/C=C\CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208728571 813816832 /nfs/dbraw/zinc/81/68/32/813816832.db2.gz FWPFUUDDLGUFBV-FANKGXDISA-N 2 1 284.447 3.407 20 0 CGADMP CC/C=C\CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208728571 813816837 /nfs/dbraw/zinc/81/68/37/813816837.db2.gz FWPFUUDDLGUFBV-FANKGXDISA-N 2 1 284.447 3.407 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208931507 813903375 /nfs/dbraw/zinc/90/33/75/813903375.db2.gz KTTFNMRSQTUMDA-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208931507 813903383 /nfs/dbraw/zinc/90/33/83/813903383.db2.gz KTTFNMRSQTUMDA-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931507 813903389 /nfs/dbraw/zinc/90/33/89/813903389.db2.gz KTTFNMRSQTUMDA-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC001208942514 813905719 /nfs/dbraw/zinc/90/57/19/813905719.db2.gz JDYYYUNTIOBZFE-OTWHNJEPSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC001208942514 813905725 /nfs/dbraw/zinc/90/57/25/813905725.db2.gz JDYYYUNTIOBZFE-OTWHNJEPSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC001208942514 813905732 /nfs/dbraw/zinc/90/57/32/813905732.db2.gz JDYYYUNTIOBZFE-OTWHNJEPSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC001208951086 813908184 /nfs/dbraw/zinc/90/81/84/813908184.db2.gz YLFRYQLYCRADLJ-WWDZGPRUSA-N 2 1 270.420 3.135 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC001208951086 813908188 /nfs/dbraw/zinc/90/81/88/813908188.db2.gz YLFRYQLYCRADLJ-WWDZGPRUSA-N 2 1 270.420 3.135 20 0 CGADMP CCOC(C)(C)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001209068678 813926552 /nfs/dbraw/zinc/92/65/52/813926552.db2.gz UXBDRJNHXRIADI-UHFFFAOYSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1cccc2c(C[N@@H+](C)CCC[NH+]3CCCC3)c[nH]c21 ZINC001209491421 814058635 /nfs/dbraw/zinc/05/86/35/814058635.db2.gz UVLOILYURCMVDQ-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP Nc1cc[nH+]cc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001209731082 814123505 /nfs/dbraw/zinc/12/35/05/814123505.db2.gz NFEOOEUWVJLCTR-UHFFFAOYSA-N 2 1 299.393 3.088 20 0 CGADMP C[NH2+]CC1C[NH+](Cc2cccc(-c3ccccc3)c2C)C1 ZINC001210561934 814528182 /nfs/dbraw/zinc/52/81/82/814528182.db2.gz YPCVGVBFBMFSCQ-UHFFFAOYSA-N 2 1 280.415 3.313 20 0 CGADMP c1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)co1 ZINC001222159934 816364147 /nfs/dbraw/zinc/36/41/47/816364147.db2.gz AEIQOWXFPRVPCC-INIZCTEOSA-N 2 1 262.397 3.025 20 0 CGADMP c1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)co1 ZINC001222159934 816364152 /nfs/dbraw/zinc/36/41/52/816364152.db2.gz AEIQOWXFPRVPCC-INIZCTEOSA-N 2 1 262.397 3.025 20 0 CGADMP CCC(=O)C(C)(C)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161440 816365248 /nfs/dbraw/zinc/36/52/48/816365248.db2.gz OLSYTWUHHVMYGU-GOSISDBHSA-N 2 1 294.483 3.238 20 0 CGADMP Cc1c[nH]c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1C ZINC001222168191 816367985 /nfs/dbraw/zinc/36/79/85/816367985.db2.gz XAUWTYLRNNYLEI-SFHVURJKSA-N 2 1 289.467 3.377 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222258455 816388450 /nfs/dbraw/zinc/38/84/50/816388450.db2.gz ARYNFWYWEBKOKE-QGZUEGPWSA-N 2 1 250.430 3.198 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222258454 816389334 /nfs/dbraw/zinc/38/93/34/816389334.db2.gz ARYNFWYWEBKOKE-MJSXRHKHSA-N 2 1 250.430 3.198 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265328 816390511 /nfs/dbraw/zinc/39/05/11/816390511.db2.gz RITRKZYCXOOWMR-IBGZPJMESA-N 2 1 297.446 3.144 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(C)c1 ZINC001222309728 816405142 /nfs/dbraw/zinc/40/51/42/816405142.db2.gz QTZJCSACLPXACU-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335361 816411034 /nfs/dbraw/zinc/41/10/34/816411034.db2.gz ISMGHLXWUWAABD-ZBFHGGJFSA-N 2 1 290.838 3.129 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)oc1C ZINC001222596418 816474199 /nfs/dbraw/zinc/47/41/99/816474199.db2.gz VVMTWHKQGSSEOS-GOSISDBHSA-N 2 1 296.414 3.085 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)oc1C ZINC001222596418 816474203 /nfs/dbraw/zinc/47/42/03/816474203.db2.gz VVMTWHKQGSSEOS-GOSISDBHSA-N 2 1 296.414 3.085 20 0 CGADMP CCC[C@H](C)C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595905 816475277 /nfs/dbraw/zinc/47/52/77/816475277.db2.gz LNGINEPVAMJBAC-DOTOQJQBSA-N 2 1 272.436 3.112 20 0 CGADMP Clc1ccc([C@H]2C[C@H]2C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222615199 816479411 /nfs/dbraw/zinc/47/94/11/816479411.db2.gz MXEGDEYULMDEHW-XJNFMUPTSA-N 2 1 290.838 3.127 20 0 CGADMP c1ccc(CCCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC001222623545 816480480 /nfs/dbraw/zinc/48/04/80/816480480.db2.gz LXBBWJOYCLRMIN-KDURUIRLSA-N 2 1 286.463 3.331 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c(C)c1Cl ZINC001222624348 816482384 /nfs/dbraw/zinc/48/23/84/816482384.db2.gz YGYRMZMWQPGHNP-DZGCQCFKSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c(C)c1Cl ZINC001222624348 816482391 /nfs/dbraw/zinc/48/23/91/816482391.db2.gz YGYRMZMWQPGHNP-DZGCQCFKSA-N 2 1 278.827 3.141 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001231810646 818182766 /nfs/dbraw/zinc/18/27/66/818182766.db2.gz NYXYZKYJRJCIMR-SJORKVTESA-N 2 1 296.414 3.330 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001231810646 818182770 /nfs/dbraw/zinc/18/27/70/818182770.db2.gz NYXYZKYJRJCIMR-SJORKVTESA-N 2 1 296.414 3.330 20 0 CGADMP c1c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)[nH]c2cc[nH+]cc12 ZINC001232014554 818232562 /nfs/dbraw/zinc/23/25/62/818232562.db2.gz QLIMOYRDEJWTPH-KRWDZBQOSA-N 2 1 293.370 3.216 20 0 CGADMP Cc1cccc2c1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232012266 818233690 /nfs/dbraw/zinc/23/36/90/818233690.db2.gz XSOJRSZDNTVDQL-UHFFFAOYSA-N 2 1 277.371 3.430 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC(C)(C)C2)c1 ZINC001232148195 818263267 /nfs/dbraw/zinc/26/32/67/818263267.db2.gz YDIVNLBHRRGSLY-UHFFFAOYSA-N 2 1 264.388 3.119 20 0 CGADMP CC[C@H](C)[N@@H+](C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232147614 818263970 /nfs/dbraw/zinc/26/39/70/818263970.db2.gz IYWUQBOFPMCCDT-LBPRGKRZSA-N 2 1 252.377 3.118 20 0 CGADMP C[N@H+](Cc1ccnc(C(C)(C)C)c1)CC1CC[NH+](C)CC1 ZINC001232215920 818280631 /nfs/dbraw/zinc/28/06/31/818280631.db2.gz KWHIWHSWVZMWGN-UHFFFAOYSA-N 2 1 289.467 3.153 20 0 CGADMP CCN1CCC([N@H+](C)Cc2ccnc(C(C)(C)C)c2)CC1 ZINC001232216668 818281309 /nfs/dbraw/zinc/28/13/09/818281309.db2.gz VIYIPSYWUMIATB-UHFFFAOYSA-N 2 1 289.467 3.295 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2ccnc(C(C)(C)C)c2)CC1 ZINC001232216668 818281316 /nfs/dbraw/zinc/28/13/16/818281316.db2.gz VIYIPSYWUMIATB-UHFFFAOYSA-N 2 1 289.467 3.295 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2ccccc2-n2cccc2)CC1 ZINC001232911816 818474102 /nfs/dbraw/zinc/47/41/02/818474102.db2.gz BFLWDMMXYPUDIS-UHFFFAOYSA-N 2 1 297.446 3.393 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2-n2cccc2)CC1 ZINC001232911816 818474106 /nfs/dbraw/zinc/47/41/06/818474106.db2.gz BFLWDMMXYPUDIS-UHFFFAOYSA-N 2 1 297.446 3.393 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(O)c2)CC1 ZINC001233234954 818549145 /nfs/dbraw/zinc/54/91/45/818549145.db2.gz JHEIALNWRYVUPT-UHFFFAOYSA-N 2 1 290.451 3.397 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(O)c2)CC1 ZINC001233234954 818549148 /nfs/dbraw/zinc/54/91/48/818549148.db2.gz JHEIALNWRYVUPT-UHFFFAOYSA-N 2 1 290.451 3.397 20 0 CGADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2c(c1)CCCC2 ZINC001234998709 818974557 /nfs/dbraw/zinc/97/45/57/818974557.db2.gz JBRBOTLRZLHUTI-LJQANCHMSA-N 2 1 284.447 3.141 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235008341 818979051 /nfs/dbraw/zinc/97/90/51/818979051.db2.gz TVCRYENZXBPNQE-ARJAWSKDSA-N 2 1 250.430 3.326 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023996 818980051 /nfs/dbraw/zinc/98/00/51/818980051.db2.gz JDWZDAOUVQNIEL-UHFFFAOYSA-N 2 1 272.417 3.005 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032324 818983746 /nfs/dbraw/zinc/98/37/46/818983746.db2.gz JYVDIBRIBLAJOE-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032324 818983750 /nfs/dbraw/zinc/98/37/50/818983750.db2.gz JYVDIBRIBLAJOE-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CCCN2 ZINC001235037102 818986286 /nfs/dbraw/zinc/98/62/86/818986286.db2.gz DRAWYECDQMPIGG-IBGZPJMESA-N 2 1 299.462 3.153 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)s1 ZINC001235042296 818988855 /nfs/dbraw/zinc/98/88/55/818988855.db2.gz ADOHLJSTMWSDLH-MRXNPFEDSA-N 2 1 278.465 3.419 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048436 818991827 /nfs/dbraw/zinc/99/18/27/818991827.db2.gz YBMHIEFTOBVFOU-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048436 818991831 /nfs/dbraw/zinc/99/18/31/818991831.db2.gz YBMHIEFTOBVFOU-QGZVFWFLSA-N 2 1 294.389 3.381 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074099 818994255 /nfs/dbraw/zinc/99/42/55/818994255.db2.gz YFXIZOCASAIDQC-ARFHVFGLSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074099 818994259 /nfs/dbraw/zinc/99/42/59/818994259.db2.gz YFXIZOCASAIDQC-ARFHVFGLSA-N 2 1 250.430 3.195 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001235091459 818999700 /nfs/dbraw/zinc/99/97/00/818999700.db2.gz CCPPTHZFLXBZMK-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112160 819007290 /nfs/dbraw/zinc/00/72/90/819007290.db2.gz XKOJXAKDZXQEAU-CVEARBPZSA-N 2 1 250.430 3.197 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c(C)c1 ZINC001235126161 819011564 /nfs/dbraw/zinc/01/15/64/819011564.db2.gz SHHAIWLEVMZMBG-SFHVURJKSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c(C)c1 ZINC001235126161 819011568 /nfs/dbraw/zinc/01/15/68/819011568.db2.gz SHHAIWLEVMZMBG-SFHVURJKSA-N 2 1 272.436 3.330 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235147339 819016793 /nfs/dbraw/zinc/01/67/93/819016793.db2.gz RVFXKEQLCPJMIZ-BZSNNMDCSA-N 2 1 274.452 3.492 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235147339 819016798 /nfs/dbraw/zinc/01/67/98/819016798.db2.gz RVFXKEQLCPJMIZ-BZSNNMDCSA-N 2 1 274.452 3.492 20 0 CGADMP Cc1sccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235159851 819019020 /nfs/dbraw/zinc/01/90/20/819019020.db2.gz WVWDIPWFVPXJOD-INIZCTEOSA-N 2 1 278.465 3.411 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1)c1cccc2ccccc21 ZINC001235164781 819019318 /nfs/dbraw/zinc/01/93/18/819019318.db2.gz DMLCAJPGGHIHBT-URLQWDBASA-N 2 1 280.415 3.366 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1)c1cccc2ccccc21 ZINC001235164781 819019320 /nfs/dbraw/zinc/01/93/20/819019320.db2.gz DMLCAJPGGHIHBT-URLQWDBASA-N 2 1 280.415 3.366 20 0 CGADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235158285 819020230 /nfs/dbraw/zinc/02/02/30/819020230.db2.gz OZGXVKMXGYIJQD-PKOBYXMFSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235158285 819020233 /nfs/dbraw/zinc/02/02/33/819020233.db2.gz OZGXVKMXGYIJQD-PKOBYXMFSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccccc4Cl)cc3)C[C@H]21 ZINC001235210105 819037059 /nfs/dbraw/zinc/03/70/59/819037059.db2.gz KHOSWSCCPUJFCC-VQFNDLOPSA-N 2 1 298.817 3.396 20 0 CGADMP c1c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001235225882 819040877 /nfs/dbraw/zinc/04/08/77/819040877.db2.gz VYCFUHHYESHKBS-STQMWFEESA-N 2 1 276.449 3.016 20 0 CGADMP Clc1ncsc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235231623 819041586 /nfs/dbraw/zinc/04/15/86/819041586.db2.gz VBHGSMHAIJRMLM-LBPRGKRZSA-N 2 1 299.871 3.151 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3CC2CCCC2)cc1 ZINC001235247250 819048605 /nfs/dbraw/zinc/04/86/05/819048605.db2.gz CCBWDLFCJLGSPW-RTBURBONSA-N 2 1 284.447 3.398 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)CC(C)(C)C ZINC001235255660 819051251 /nfs/dbraw/zinc/05/12/51/819051251.db2.gz NRTLJRJZDDWCGU-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)CC(C)(C)C ZINC001235255660 819051259 /nfs/dbraw/zinc/05/12/59/819051259.db2.gz NRTLJRJZDDWCGU-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP CCc1cccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001235258837 819052878 /nfs/dbraw/zinc/05/28/78/819052878.db2.gz SVSZYBADGRBQIE-UHFFFAOYSA-N 2 1 289.467 3.196 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235270827 819059227 /nfs/dbraw/zinc/05/92/27/819059227.db2.gz NKVJXQQKEZVVLF-MSOLQXFVSA-N 2 1 270.420 3.138 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)cc2)o1 ZINC001235341641 819072282 /nfs/dbraw/zinc/07/22/82/819072282.db2.gz SDTWDRMBYRPRLY-QGZVFWFLSA-N 2 1 296.414 3.296 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362098 819080090 /nfs/dbraw/zinc/08/00/90/819080090.db2.gz KTFNILPDRRMJFG-YOEHRIQHSA-N 2 1 260.425 3.022 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362098 819080094 /nfs/dbraw/zinc/08/00/94/819080094.db2.gz KTFNILPDRRMJFG-YOEHRIQHSA-N 2 1 260.425 3.022 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)co1 ZINC001235368328 819080113 /nfs/dbraw/zinc/08/01/13/819080113.db2.gz VOOXAHRUMBAIAR-RTBURBONSA-N 2 1 296.414 3.033 20 0 CGADMP c1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)co1 ZINC001235368328 819080119 /nfs/dbraw/zinc/08/01/19/819080119.db2.gz VOOXAHRUMBAIAR-RTBURBONSA-N 2 1 296.414 3.033 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1(C)C ZINC001235394197 819083235 /nfs/dbraw/zinc/08/32/35/819083235.db2.gz CHEGMMPMZJEQKO-ARFHVFGLSA-N 2 1 294.458 3.378 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1(C)C ZINC001235394207 819083653 /nfs/dbraw/zinc/08/36/53/819083653.db2.gz CHEGMMPMZJEQKO-OAGGEKHMSA-N 2 1 294.458 3.378 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001235401715 819086246 /nfs/dbraw/zinc/08/62/46/819086246.db2.gz HJDDOOSWYXXQNV-LUKYLMHMSA-N 2 1 280.431 3.002 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426715 819092378 /nfs/dbraw/zinc/09/23/78/819092378.db2.gz QQBNCYIPFSHPBR-CVEARBPZSA-N 2 1 252.446 3.134 20 0 CGADMP CC(C)CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426718 819093534 /nfs/dbraw/zinc/09/35/34/819093534.db2.gz QQBNCYIPFSHPBR-JKSUJKDBSA-N 2 1 252.446 3.134 20 0 CGADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC001235429596 819094275 /nfs/dbraw/zinc/09/42/75/819094275.db2.gz ZFYMOJRWNRHCJT-IRXDYDNUSA-N 2 1 264.457 3.278 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428616 819094964 /nfs/dbraw/zinc/09/49/64/819094964.db2.gz OQULXRVFDIMFKY-HKUYNNGSSA-N 2 1 286.463 3.461 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC001235428968 819095132 /nfs/dbraw/zinc/09/51/32/819095132.db2.gz VZYAVEIHLCGMCR-HZPDHXFCSA-N 2 1 290.426 3.346 20 0 CGADMP CCCCC1CC[NH+](C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)CC1 ZINC001235432056 819095988 /nfs/dbraw/zinc/09/59/88/819095988.db2.gz GWEJCAOSCRLIJP-DZGCQCFKSA-N 2 1 288.426 3.379 20 0 CGADMP C[N@H+](Cc1cc2c(cccc2Cl)[nH]1)CC1CC[NH2+]CC1 ZINC001235433033 819096589 /nfs/dbraw/zinc/09/65/89/819096589.db2.gz FBPSNQFNAIENNQ-UHFFFAOYSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc(-c2ccsc2)c1 ZINC001235435592 819098393 /nfs/dbraw/zinc/09/83/93/819098393.db2.gz RGPLEFYNLWUVKE-UHFFFAOYSA-N 2 1 260.406 3.196 20 0 CGADMP COc1ccc(-c2ccc(C[N@@H+](C)CCC[NH3+])cc2)cc1 ZINC001235435519 819098477 /nfs/dbraw/zinc/09/84/77/819098477.db2.gz MXZZXDFWYWYBAX-UHFFFAOYSA-N 2 1 284.403 3.143 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC001235471268 819106753 /nfs/dbraw/zinc/10/67/53/819106753.db2.gz CYEYSPVNACXHAE-UHFFFAOYSA-N 2 1 287.234 3.220 20 0 CGADMP C[NH2+]CC1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001235678160 819138634 /nfs/dbraw/zinc/13/86/34/819138634.db2.gz JPRJHOIFEUVDSY-UHFFFAOYSA-N 2 1 288.769 3.050 20 0 CGADMP Fc1ccccc1[C@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235719098 819151852 /nfs/dbraw/zinc/15/18/52/819151852.db2.gz RYIPOMCRLPBQKN-WMLDXEAASA-N 2 1 276.399 3.495 20 0 CGADMP Fc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235719098 819151855 /nfs/dbraw/zinc/15/18/55/819151855.db2.gz RYIPOMCRLPBQKN-WMLDXEAASA-N 2 1 276.399 3.495 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001235724987 819152899 /nfs/dbraw/zinc/15/28/99/819152899.db2.gz MIDLGGKOEXACLH-LBPRGKRZSA-N 2 1 287.234 3.349 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001235724987 819152904 /nfs/dbraw/zinc/15/29/04/819152904.db2.gz MIDLGGKOEXACLH-LBPRGKRZSA-N 2 1 287.234 3.349 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001235724648 819153181 /nfs/dbraw/zinc/15/31/81/819153181.db2.gz BDLZRAJZQXRSGZ-UHFFFAOYSA-N 2 1 283.419 3.051 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235726091 819155000 /nfs/dbraw/zinc/15/50/00/819155000.db2.gz MQYQNMLKMWMJLC-HUUCEWRRSA-N 2 1 276.399 3.005 20 0 CGADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925164 819223456 /nfs/dbraw/zinc/22/34/56/819223456.db2.gz JYOIFLPPOMXKFO-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925164 819223463 /nfs/dbraw/zinc/22/34/63/819223463.db2.gz JYOIFLPPOMXKFO-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc(C)c1OC(C)C ZINC001235925860 819225434 /nfs/dbraw/zinc/22/54/34/819225434.db2.gz QAJKYCMKBCWYIH-KRWDZBQOSA-N 2 1 290.451 3.404 20 0 CGADMP c1ccc(C2(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)CCCC2)cc1 ZINC001235930248 819227430 /nfs/dbraw/zinc/22/74/30/819227430.db2.gz VFUGRVICHXIMJK-IAGOWNOFSA-N 2 1 284.447 3.040 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235941226 819233603 /nfs/dbraw/zinc/23/36/03/819233603.db2.gz VCCWAHMXAMUBDN-IRXDYDNUSA-N 2 1 286.463 3.416 20 0 CGADMP COCC[N@@H+](Cc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC001235947162 819235995 /nfs/dbraw/zinc/23/59/95/819235995.db2.gz XPZKXQALUIYCME-UHFFFAOYSA-N 2 1 290.451 3.010 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948210 819236969 /nfs/dbraw/zinc/23/69/69/819236969.db2.gz LPZGYANIRCDTKR-LJQANCHMSA-N 2 1 282.431 3.469 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948210 819236974 /nfs/dbraw/zinc/23/69/74/819236974.db2.gz LPZGYANIRCDTKR-LJQANCHMSA-N 2 1 282.431 3.469 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC001235950209 819239268 /nfs/dbraw/zinc/23/92/68/819239268.db2.gz UTHBBEDXGSINCR-QGZVFWFLSA-N 2 1 276.424 3.351 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001235949358 819240252 /nfs/dbraw/zinc/24/02/52/819240252.db2.gz GSNFKELTACSZDC-QGZVFWFLSA-N 2 1 284.378 3.274 20 0 CGADMP Fc1ccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235949424 819240515 /nfs/dbraw/zinc/24/05/15/819240515.db2.gz JXXVIOHMYBFINW-KRWDZBQOSA-N 2 1 296.389 3.418 20 0 CGADMP C[N@H+](Cc1cccc(OC(C)(C)C)c1)C[C@H]1CCC[NH2+]C1 ZINC001235957450 819245394 /nfs/dbraw/zinc/24/53/94/819245394.db2.gz OKMQBWBIJKSWKT-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@H+](Cc1ccc(F)c2ccccc12)C[C@H]1CCC[NH2+]C1 ZINC001235957791 819245429 /nfs/dbraw/zinc/24/54/29/819245429.db2.gz UHGUILLLMHPZSS-AWEZNQCLSA-N 2 1 286.394 3.410 20 0 CGADMP CC[N@H+](Cc1cccc2sccc21)[C@H]1CCC[NH2+]C1 ZINC001236008632 819272914 /nfs/dbraw/zinc/27/29/14/819272914.db2.gz HESRCNXUVHKTPI-AWEZNQCLSA-N 2 1 274.433 3.475 20 0 CGADMP CC[N@@H+](Cc1cccc2sccc21)[C@H]1CCC[NH2+]C1 ZINC001236008632 819272918 /nfs/dbraw/zinc/27/29/18/819272918.db2.gz HESRCNXUVHKTPI-AWEZNQCLSA-N 2 1 274.433 3.475 20 0 CGADMP COc1cccc(CCC[N@@H+](C)Cc2ccc(C[NH3+])cc2)c1 ZINC001236040535 819280047 /nfs/dbraw/zinc/28/00/47/819280047.db2.gz FIDDYEKSXOZLKQ-UHFFFAOYSA-N 2 1 298.430 3.219 20 0 CGADMP COc1cccc(CCC[N@@H+](C)CC[C@H]2CCCC[NH2+]2)c1 ZINC001236041842 819280467 /nfs/dbraw/zinc/28/04/67/819280467.db2.gz MEHNVYXRQUMLCT-QGZVFWFLSA-N 2 1 290.451 3.092 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001236066004 819298416 /nfs/dbraw/zinc/29/84/16/819298416.db2.gz FUHRKMGFKMSFEH-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001236066322 819298434 /nfs/dbraw/zinc/29/84/34/819298434.db2.gz HHWFPBTVVWMRAB-HNNXBMFYSA-N 2 1 286.444 3.456 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCC[NH3+])cc(C)c1Cl ZINC001236141609 819341965 /nfs/dbraw/zinc/34/19/65/819341965.db2.gz LIKLFVNRHXYMMC-UHFFFAOYSA-N 2 1 254.805 3.128 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCC[NH3+])cc(C)c1Br ZINC001236142701 819344493 /nfs/dbraw/zinc/34/44/93/819344493.db2.gz ZVUFRGGOXUSVRW-UHFFFAOYSA-N 2 1 299.256 3.237 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236182463 819359670 /nfs/dbraw/zinc/35/96/70/819359670.db2.gz PLYFCLOCQKHOQO-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP Cc1cccc2c(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])c[nH]c21 ZINC001236210558 819372279 /nfs/dbraw/zinc/37/22/79/819372279.db2.gz DKVJJRXFSCVGDW-CVEARBPZSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cccc2c(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])c[nH]c21 ZINC001236210558 819372282 /nfs/dbraw/zinc/37/22/82/819372282.db2.gz DKVJJRXFSCVGDW-CVEARBPZSA-N 2 1 271.408 3.178 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(OC)cc2C)CC1 ZINC001236213963 819375229 /nfs/dbraw/zinc/37/52/29/819375229.db2.gz ZWABJIGEXYQPJR-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP C[N@H+](Cc1ccc(OCC(F)F)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213024 819376649 /nfs/dbraw/zinc/37/66/49/819376649.db2.gz NEPXIDRVGFYDMB-HUUCEWRRSA-N 2 1 298.377 3.032 20 0 CGADMP C[N@@H+](Cc1ccc(OCC(F)F)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213024 819376654 /nfs/dbraw/zinc/37/66/54/819376654.db2.gz NEPXIDRVGFYDMB-HUUCEWRRSA-N 2 1 298.377 3.032 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)s1 ZINC001236215353 819378792 /nfs/dbraw/zinc/37/87/92/819378792.db2.gz HDZINGQSAXLHBQ-KBPBESRZSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)s1 ZINC001236215353 819378797 /nfs/dbraw/zinc/37/87/97/819378797.db2.gz HDZINGQSAXLHBQ-KBPBESRZSA-N 2 1 252.427 3.067 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(F)c(C)c2F)CC1 ZINC001236214906 819379185 /nfs/dbraw/zinc/37/91/85/819379185.db2.gz KPCTYRVHPHLHRN-UHFFFAOYSA-N 2 1 282.378 3.236 20 0 CGADMP COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC001236217376 819382347 /nfs/dbraw/zinc/38/23/47/819382347.db2.gz OQPZZYUGEBVWBN-SJORKVTESA-N 2 1 290.451 3.322 20 0 CGADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC001236217376 819382355 /nfs/dbraw/zinc/38/23/55/819382355.db2.gz OQPZZYUGEBVWBN-SJORKVTESA-N 2 1 290.451 3.322 20 0 CGADMP C[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218500 819384472 /nfs/dbraw/zinc/38/44/72/819384472.db2.gz SINUQJPPLJSUJY-IAGOWNOFSA-N 2 1 258.409 3.266 20 0 CGADMP C[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218500 819384477 /nfs/dbraw/zinc/38/44/77/819384477.db2.gz SINUQJPPLJSUJY-IAGOWNOFSA-N 2 1 258.409 3.266 20 0 CGADMP COc1c(C)cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1C ZINC001236220796 819388308 /nfs/dbraw/zinc/38/83/08/819388308.db2.gz ZFXRMBSCQPEBPD-CVEARBPZSA-N 2 1 276.424 3.014 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1C ZINC001236220796 819388313 /nfs/dbraw/zinc/38/83/13/819388313.db2.gz ZFXRMBSCQPEBPD-CVEARBPZSA-N 2 1 276.424 3.014 20 0 CGADMP Cc1cccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1OC(C)C ZINC001236226054 819390664 /nfs/dbraw/zinc/39/06/64/819390664.db2.gz GDXBLANIUOFFCV-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Cc1cccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1OC(C)C ZINC001236226054 819390670 /nfs/dbraw/zinc/39/06/70/819390670.db2.gz GDXBLANIUOFFCV-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CCc1cccc2c(C[N@@H+](C)C3(C)CC[NH2+]CC3)c[nH]c21 ZINC001236225715 819391062 /nfs/dbraw/zinc/39/10/62/819391062.db2.gz DFDVAIMRKOPNRC-UHFFFAOYSA-N 2 1 285.435 3.304 20 0 CGADMP Cc1cc(F)cc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001236225076 819391559 /nfs/dbraw/zinc/39/15/59/819391559.db2.gz ZLSTZZGCEGOXFM-HDJSIYSDSA-N 2 1 284.806 3.489 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@H]2[C@H](C)C[NH2+]CC2(F)F)cc1C ZINC001236240671 819399350 /nfs/dbraw/zinc/39/93/50/819399350.db2.gz LPSPJWPOYYWSNY-ZBFHGGJFSA-N 2 1 296.405 3.226 20 0 CGADMP Cc1ccc(C[N@H+](C)C[C@H]2[C@H](C)C[NH2+]CC2(F)F)cc1C ZINC001236240671 819399356 /nfs/dbraw/zinc/39/93/56/819399356.db2.gz LPSPJWPOYYWSNY-ZBFHGGJFSA-N 2 1 296.405 3.226 20 0 CGADMP CC[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407572 819454405 /nfs/dbraw/zinc/45/44/05/819454405.db2.gz HCHBSIAAQSVJRC-UNEWFSDZSA-N 2 1 292.854 3.375 20 0 CGADMP CC[N@@H+](Cc1ccccc1OC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC001236409726 819457590 /nfs/dbraw/zinc/45/75/90/819457590.db2.gz CWRXQEQPUUNABL-HNNXBMFYSA-N 2 1 290.451 3.295 20 0 CGADMP CC[N@H+](Cc1ccccc1OC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC001236409726 819457592 /nfs/dbraw/zinc/45/75/92/819457592.db2.gz CWRXQEQPUUNABL-HNNXBMFYSA-N 2 1 290.451 3.295 20 0 CGADMP COc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236469675 819491075 /nfs/dbraw/zinc/49/10/75/819491075.db2.gz UUIFEUQNGNBQLH-QGZVFWFLSA-N 2 1 290.451 3.274 20 0 CGADMP COc1cc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236469675 819491077 /nfs/dbraw/zinc/49/10/77/819491077.db2.gz UUIFEUQNGNBQLH-QGZVFWFLSA-N 2 1 290.451 3.274 20 0 CGADMP Fc1ccc(C[N@H+](CC2CCC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236504457 819506961 /nfs/dbraw/zinc/50/69/61/819506961.db2.gz LJSMHCVIWNKINK-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP Fc1ccc(C[N@@H+](CC2CCC2)C2CC[NH2+]CC2)c(F)c1 ZINC001236504457 819506964 /nfs/dbraw/zinc/50/69/64/819506964.db2.gz LJSMHCVIWNKINK-UHFFFAOYSA-N 2 1 294.389 3.319 20 0 CGADMP CC(C)C[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552302 819535282 /nfs/dbraw/zinc/53/52/82/819535282.db2.gz UGKBTEJYWHGRRK-ADHGMGHFSA-N 2 1 276.468 3.427 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001236604911 819550956 /nfs/dbraw/zinc/55/09/56/819550956.db2.gz JLGSOKIYMUMYDR-UHFFFAOYSA-N 2 1 278.399 3.157 20 0 CGADMP c1cc2c(cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)NCCC2 ZINC001236601928 819551208 /nfs/dbraw/zinc/55/12/08/819551208.db2.gz QEMNNSPIPIJBJL-MRXNPFEDSA-N 2 1 299.462 3.009 20 0 CGADMP CCOC(C)(C)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766716 819591185 /nfs/dbraw/zinc/59/11/85/819591185.db2.gz BWADSWWJYSHKQH-SHTZXODSSA-N 2 1 284.488 3.420 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC(C)=C[C@H]1C ZINC001236825899 819608430 /nfs/dbraw/zinc/60/84/30/819608430.db2.gz AYUGCEJUBMKFGZ-ZACQAIPSSA-N 2 1 264.457 3.300 20 0 CGADMP CCC[N@@H+](CCCCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236830898 819612259 /nfs/dbraw/zinc/61/22/59/819612259.db2.gz PLWNSFNEDUFYJF-GOSISDBHSA-N 2 1 274.452 3.331 20 0 CGADMP CCc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC001236833545 819613821 /nfs/dbraw/zinc/61/38/21/819613821.db2.gz YZMFFEYQVXCDSV-LZWOXQAQSA-N 2 1 278.827 3.072 20 0 CGADMP CCC[N@H+](Cc1ccc(OCC)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236833426 819613961 /nfs/dbraw/zinc/61/39/61/819613961.db2.gz BCTCUJUULWHTFP-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001237001584 819643950 /nfs/dbraw/zinc/64/39/50/819643950.db2.gz YERWBZJMGWLJHA-HEHGZKQESA-N 2 1 294.389 3.097 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC001237001584 819643953 /nfs/dbraw/zinc/64/39/53/819643953.db2.gz YERWBZJMGWLJHA-HEHGZKQESA-N 2 1 294.389 3.097 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@@](C)(C[NH3+])C3)c[nH]c21 ZINC001237057473 819657447 /nfs/dbraw/zinc/65/74/47/819657447.db2.gz NENRTUJTANLRMK-SFHVURJKSA-N 2 1 285.435 3.291 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083874 819663284 /nfs/dbraw/zinc/66/32/84/819663284.db2.gz ZNNONWFRIDCYMI-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083874 819663289 /nfs/dbraw/zinc/66/32/89/819663289.db2.gz ZNNONWFRIDCYMI-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cccccc1-2 ZINC001237082471 819663781 /nfs/dbraw/zinc/66/37/81/819663781.db2.gz QJZYTQLRQTYBST-DODVFSASSA-N 2 1 280.415 3.493 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001237246766 819710041 /nfs/dbraw/zinc/71/00/41/819710041.db2.gz CXVSCJATXWHEPU-ROUUACIJSA-N 2 1 290.426 3.365 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1c(C)cc(F)cc1C ZINC001237326639 819727021 /nfs/dbraw/zinc/72/70/21/819727021.db2.gz SKMHSGDPXGAKIR-UHFFFAOYSA-N 2 1 266.404 3.216 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)cc(F)cc1C ZINC001237326639 819727027 /nfs/dbraw/zinc/72/70/27/819727027.db2.gz SKMHSGDPXGAKIR-UHFFFAOYSA-N 2 1 266.404 3.216 20 0 CGADMP c1ccn(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)c1 ZINC001237407552 819745308 /nfs/dbraw/zinc/74/53/08/819745308.db2.gz YAJOPDJIXCXVDO-HKUYNNGSSA-N 2 1 295.430 3.051 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237404615 819745817 /nfs/dbraw/zinc/74/58/17/819745817.db2.gz OBOCHOSMKDSECR-ROUUACIJSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c12 ZINC001237411590 819747592 /nfs/dbraw/zinc/74/75/92/819747592.db2.gz GXTMWPCWTXDQKW-NVXWUHKLSA-N 2 1 295.430 3.117 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237417169 819747962 /nfs/dbraw/zinc/74/79/62/819747962.db2.gz TUHQHFRHZCSKKP-PBHICJAKSA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237417169 819747969 /nfs/dbraw/zinc/74/79/69/819747969.db2.gz TUHQHFRHZCSKKP-PBHICJAKSA-N 2 1 276.399 3.016 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc3c(F)cccc13)C2 ZINC001237518254 819769282 /nfs/dbraw/zinc/76/92/82/819769282.db2.gz LUILJAIHHWEJCV-DNVCBOLYSA-N 2 1 298.405 3.362 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc3c(F)cccc13)C2 ZINC001237518254 819769285 /nfs/dbraw/zinc/76/92/85/819769285.db2.gz LUILJAIHHWEJCV-DNVCBOLYSA-N 2 1 298.405 3.362 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001237702883 819812165 /nfs/dbraw/zinc/81/21/65/819812165.db2.gz TVXCFYAKSIIHMR-ZBFHGGJFSA-N 2 1 292.854 3.340 20 0 CGADMP C[N@@H+](CCc1cccs1)Cc1cccc2c[nH+]cn21 ZINC001238113248 819937829 /nfs/dbraw/zinc/93/78/29/819937829.db2.gz IHHNSSBRJFLOJQ-UHFFFAOYSA-N 2 1 271.389 3.070 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001238674605 820077732 /nfs/dbraw/zinc/07/77/32/820077732.db2.gz IOXWSQWOCIJXDA-UHFFFAOYSA-N 2 1 266.454 3.100 20 0 CGADMP CSc1cc(C)cc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001238674605 820077723 /nfs/dbraw/zinc/07/77/23/820077723.db2.gz IOXWSQWOCIJXDA-UHFFFAOYSA-N 2 1 266.454 3.100 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001238717370 820098939 /nfs/dbraw/zinc/09/89/39/820098939.db2.gz QIFPPXCIQAVISB-UHFFFAOYSA-N 2 1 290.451 3.167 20 0 CGADMP C(=C/c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)\c1ccccc1 ZINC001239594544 820442651 /nfs/dbraw/zinc/44/26/51/820442651.db2.gz WUCWOWJIMLEUEU-VOTSOKGWSA-N 2 1 275.355 3.192 20 0 CGADMP CC(C)(C)[NH2+]Cc1ccc(-c2cc[nH+]c3c2CCN3)cc1 ZINC001240377721 821002882 /nfs/dbraw/zinc/00/28/82/821002882.db2.gz MKQLCBMMMUJOJJ-UHFFFAOYSA-N 2 1 281.403 3.247 20 0 CGADMP Fc1cc(C=C2CC[NH2+]CC2)cc(F)c1C[NH+]1CCCC1 ZINC001240879431 821388896 /nfs/dbraw/zinc/38/88/96/821388896.db2.gz PXLIIXWACJSSLL-UHFFFAOYSA-N 2 1 292.373 3.327 20 0 CGADMP C[N@@H+]1CC=C(c2ccccc2C[NH+]2CCCCC2)CC1 ZINC001241320167 821730534 /nfs/dbraw/zinc/73/05/34/821730534.db2.gz VJUTWJBRHBEFKZ-UHFFFAOYSA-N 2 1 270.420 3.391 20 0 CGADMP [NH3+]CCc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001241507246 821907546 /nfs/dbraw/zinc/90/75/46/821907546.db2.gz SRIRPDPKDVMDMW-UHFFFAOYSA-N 2 1 292.426 3.477 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001341802882 936451074 /nfs/dbraw/zinc/45/10/74/936451074.db2.gz QFLGJTRIZUQWAF-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001350637017 936997651 /nfs/dbraw/zinc/99/76/51/936997651.db2.gz VVEYHRKAHJKACR-SOLBZPMBSA-N 2 1 272.436 3.254 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001352084986 937035381 /nfs/dbraw/zinc/03/53/81/937035381.db2.gz SQQRRWWLUXGHMS-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CC2CCC1CC2)C(C)C ZINC000382333673 926709662 /nfs/dbraw/zinc/70/96/62/926709662.db2.gz YSPAAEDIPWVTGQ-UYSNPLJNSA-N 2 1 252.446 3.274 20 0 CGADMP Fc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(F)c1F ZINC001349325028 926768938 /nfs/dbraw/zinc/76/89/38/926768938.db2.gz LTGHKVLKPLPKKX-UHFFFAOYSA-N 2 1 298.352 3.070 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]2C1 ZINC001355372758 937138675 /nfs/dbraw/zinc/13/86/75/937138675.db2.gz FUPUARFCTFRIOD-NWANDNLSSA-N 2 1 294.389 3.127 20 0 CGADMP CC[N@H+](CC[NH2+]C1CCC2(COC(C)(C)C2)CC1)C(C)C ZINC001560306283 937212144 /nfs/dbraw/zinc/21/21/44/937212144.db2.gz ABXLPIYAPRXDRQ-UHFFFAOYSA-N 2 1 296.499 3.434 20 0 CGADMP CC[N@@H+](CC[NH2+]C1CCC2(COC(C)(C)C2)CC1)C(C)C ZINC001560306283 937212146 /nfs/dbraw/zinc/21/21/46/937212146.db2.gz ABXLPIYAPRXDRQ-UHFFFAOYSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC ZINC001461955872 928769764 /nfs/dbraw/zinc/76/97/64/928769764.db2.gz IFEJSKLAWNGDMP-QZTJIDSGSA-N 2 1 296.499 3.390 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC001462482743 928793027 /nfs/dbraw/zinc/79/30/27/928793027.db2.gz XRFVGFSYNUWEIH-KZNAEPCWSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cncc3ccccc32)C[C@H]1C[NH3+] ZINC000397241827 928803783 /nfs/dbraw/zinc/80/37/83/928803783.db2.gz MEXCFZDPDFDTHE-IIAWOOMASA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2C=CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001460713312 937541839 /nfs/dbraw/zinc/54/18/39/937541839.db2.gz ZCXBGNPZARWBRI-IAGOWNOFSA-N 2 1 285.435 3.481 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000163474507 932002877 /nfs/dbraw/zinc/00/28/77/932002877.db2.gz AECGHRUSPWOPGX-KDOFPFPSSA-N 2 1 268.404 3.257 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC001461118673 937564662 /nfs/dbraw/zinc/56/46/62/937564662.db2.gz DDVCKSKUZDEKER-IMMZDGJCSA-N 2 1 276.399 3.160 20 0 CGADMP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001461372306 937578170 /nfs/dbraw/zinc/57/81/70/937578170.db2.gz BOFVDPGETYDDJI-OKZBNKHCSA-N 2 1 296.499 3.149 20 0 CGADMP Cc1ccccc1C[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC001462046307 937614544 /nfs/dbraw/zinc/61/45/44/937614544.db2.gz VJMFLSBUIZWSSP-UHFFFAOYSA-N 2 1 272.436 3.301 20 0 CGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1NC ZINC001462202125 937625036 /nfs/dbraw/zinc/62/50/36/937625036.db2.gz WYOQPERKVGYJMN-UHFFFAOYSA-N 2 1 275.440 3.036 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1NC ZINC001462202125 937625038 /nfs/dbraw/zinc/62/50/38/937625038.db2.gz WYOQPERKVGYJMN-UHFFFAOYSA-N 2 1 275.440 3.036 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC001462333488 937633327 /nfs/dbraw/zinc/63/33/27/937633327.db2.gz IXTMUOGOMNOZNH-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC001462333488 937633328 /nfs/dbraw/zinc/63/33/28/937633328.db2.gz IXTMUOGOMNOZNH-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1C=CCCCCC1 ZINC001308089163 933046697 /nfs/dbraw/zinc/04/66/97/933046697.db2.gz KSOURKATZGYUEX-FUHWJXTLSA-N 2 1 285.435 3.481 20 0 CGADMP C[N@H+]1C[C@]23C[NH+](CCc4cccs4)C[C@@]2(C1)CCCC3 ZINC001308170853 933064798 /nfs/dbraw/zinc/06/47/98/933064798.db2.gz OGAMUUNBRLBGAV-CALCHBBNSA-N 2 1 290.476 3.098 20 0 CGADMP C[NH+]1C[C@]23C[N@H+](CCc4cccs4)C[C@@]2(C1)CCCC3 ZINC001308170853 933064801 /nfs/dbraw/zinc/06/48/01/933064801.db2.gz OGAMUUNBRLBGAV-CALCHBBNSA-N 2 1 290.476 3.098 20 0 CGADMP C[NH+]1C[C@]23C[N@@H+](CCc4cccs4)C[C@@]2(C1)CCCC3 ZINC001308170853 933064804 /nfs/dbraw/zinc/06/48/04/933064804.db2.gz OGAMUUNBRLBGAV-CALCHBBNSA-N 2 1 290.476 3.098 20 0 CGADMP Cc1ccsc1C[NH2+]CCCCn1cc[nH+]c1C ZINC001308282860 933086984 /nfs/dbraw/zinc/08/69/84/933086984.db2.gz OMFMIQBRJDVTHV-UHFFFAOYSA-N 2 1 263.410 3.131 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001308596070 933140226 /nfs/dbraw/zinc/14/02/26/933140226.db2.gz HRTWPSYTYOQPRQ-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccc(CC[NH2+]CC[N@@H+]2CCCC2(C)C)cc1C ZINC001308815970 933183138 /nfs/dbraw/zinc/18/31/38/933183138.db2.gz SWIMYCHTSLBNMU-UHFFFAOYSA-N 2 1 274.452 3.310 20 0 CGADMP Cc1ccc(CC[NH2+]CC[N@H+]2CCCC2(C)C)cc1C ZINC001308815970 933183139 /nfs/dbraw/zinc/18/31/39/933183139.db2.gz SWIMYCHTSLBNMU-UHFFFAOYSA-N 2 1 274.452 3.310 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001319281494 933851513 /nfs/dbraw/zinc/85/15/13/933851513.db2.gz ANAVBUIGKSBNMH-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C12CCCC2 ZINC001319830923 933940685 /nfs/dbraw/zinc/94/06/85/933940685.db2.gz DQGOCSFDYGNRHV-WCXIOVBPSA-N 2 1 294.483 3.187 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(F)cc2)C1 ZINC001319919549 933958329 /nfs/dbraw/zinc/95/83/29/933958329.db2.gz XXKPBTALMGIAEH-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC001319919549 933958337 /nfs/dbraw/zinc/95/83/37/933958337.db2.gz XXKPBTALMGIAEH-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001319919549 933958341 /nfs/dbraw/zinc/95/83/41/933958341.db2.gz XXKPBTALMGIAEH-INIZCTEOSA-N 2 1 278.415 3.032 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001320072643 933992831 /nfs/dbraw/zinc/99/28/31/933992831.db2.gz SZIZMXJLHQIMCV-FJBKBRRZSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(F)cc2F)C[C@H]1C ZINC001323697958 934417647 /nfs/dbraw/zinc/41/76/47/934417647.db2.gz OYZQPEKGBWQVRQ-CZUORRHYSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(F)cc2F)C[C@H]1C ZINC001323697958 934417653 /nfs/dbraw/zinc/41/76/53/934417653.db2.gz OYZQPEKGBWQVRQ-CZUORRHYSA-N 2 1 296.405 3.312 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(F)cc2F)C[C@H]1C ZINC001323697958 934417662 /nfs/dbraw/zinc/41/76/62/934417662.db2.gz OYZQPEKGBWQVRQ-CZUORRHYSA-N 2 1 296.405 3.312 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001325624503 934921527 /nfs/dbraw/zinc/92/15/27/934921527.db2.gz DUXBWPFIURKSSJ-VIFPVBQESA-N 2 1 261.196 3.081 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC001326158337 934954823 /nfs/dbraw/zinc/95/48/23/934954823.db2.gz ATYPCISRBNPRJY-TZMCWYRMSA-N 2 1 298.390 3.341 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583423 934992216 /nfs/dbraw/zinc/99/22/16/934992216.db2.gz JIWDAVDXSWVVHD-AWEZNQCLSA-N 2 1 276.399 3.352 20 0 CGADMP [NH3+]CCCCCC[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001327323287 935052893 /nfs/dbraw/zinc/05/28/93/935052893.db2.gz MHRMLFCNMDTAOD-UHFFFAOYSA-N 2 1 272.436 3.443 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC001328677677 935158502 /nfs/dbraw/zinc/15/85/02/935158502.db2.gz SGKYTZSDTWAJSO-MRXNPFEDSA-N 2 1 298.430 3.353 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC001333814031 936067861 /nfs/dbraw/zinc/06/78/61/936067861.db2.gz LRONUNXDLIYFRD-WMZOPIPTSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC001333814031 936067866 /nfs/dbraw/zinc/06/78/66/936067866.db2.gz LRONUNXDLIYFRD-WMZOPIPTSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC001333814031 936067870 /nfs/dbraw/zinc/06/78/70/936067870.db2.gz LRONUNXDLIYFRD-WMZOPIPTSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC001333814031 936067874 /nfs/dbraw/zinc/06/78/74/936067874.db2.gz LRONUNXDLIYFRD-WMZOPIPTSA-N 2 1 274.452 3.118 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2Cc3ccccc3C3(CCC3)C2)C1 ZINC001334824513 936117588 /nfs/dbraw/zinc/11/75/88/936117588.db2.gz ZYQFPKXREYOLBS-GOEBONIOSA-N 2 1 270.420 3.051 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001335584766 936153871 /nfs/dbraw/zinc/15/38/71/936153871.db2.gz YQQPHWRRKGEGAT-LESCRADOSA-N 2 1 290.426 3.296 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)c1ccccc1 ZINC001336889399 936225036 /nfs/dbraw/zinc/22/50/36/936225036.db2.gz SZVGPRSBUSFTEW-BVBHFADKSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)c1ccccc1 ZINC001336889401 936225367 /nfs/dbraw/zinc/22/53/67/936225367.db2.gz SZVGPRSBUSFTEW-QXCFHYIPSA-N 2 1 286.463 3.452 20 0 CGADMP CCCn1cncc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC001473937533 937831355 /nfs/dbraw/zinc/83/13/55/937831355.db2.gz YFVHFLMFKXYUOQ-INIZCTEOSA-N 2 1 292.471 3.037 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001473979538 937833850 /nfs/dbraw/zinc/83/38/50/937833850.db2.gz WZVSDDHQTMRQNW-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC001474320782 937851362 /nfs/dbraw/zinc/85/13/62/937851362.db2.gz QFLVZTNLPZYEJR-RBUKOAKNSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC001474320782 937851363 /nfs/dbraw/zinc/85/13/63/937851363.db2.gz QFLVZTNLPZYEJR-RBUKOAKNSA-N 2 1 286.463 3.262 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC001474320782 937851364 /nfs/dbraw/zinc/85/13/64/937851364.db2.gz QFLVZTNLPZYEJR-RBUKOAKNSA-N 2 1 286.463 3.262 20 0 CGADMP C([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001474644865 937872355 /nfs/dbraw/zinc/87/23/55/937872355.db2.gz DMTLPOWBTLVBIA-VSZNYVQBSA-N 2 1 276.468 3.277 20 0 CGADMP COCC[N@@H+](CCC1CCCCC1)CC1CC[NH+](C)CC1 ZINC001474660191 937873732 /nfs/dbraw/zinc/87/37/32/937873732.db2.gz FEMSXKYUPMKZJB-UHFFFAOYSA-N 2 1 296.499 3.247 20 0 CGADMP CC(C)(C)c1ncc(C[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC001549087438 938155094 /nfs/dbraw/zinc/15/50/94/938155094.db2.gz KTYWNHGZYIVRCE-WBMJQRKESA-N 2 1 293.480 3.001 20 0 CGADMP CC(C)(C)c1ncc(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC001549087438 938155095 /nfs/dbraw/zinc/15/50/95/938155095.db2.gz KTYWNHGZYIVRCE-WBMJQRKESA-N 2 1 293.480 3.001 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC001549545569 938157813 /nfs/dbraw/zinc/15/78/13/938157813.db2.gz GMOYXQREXOEIBO-ARFHVFGLSA-N 2 1 252.446 3.133 20 0 CGADMP FC(F)(F)[C@@H]1C[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552262234 938190584 /nfs/dbraw/zinc/19/05/84/938190584.db2.gz DGGCIPTWQBDIJK-CRWXNKLISA-N 2 1 284.325 3.020 20 0 CGADMP CC(C)[C@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC001559688822 938232976 /nfs/dbraw/zinc/23/29/76/938232976.db2.gz DTIAAJSTLHKTJL-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@H]1CCCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC001559688822 938232977 /nfs/dbraw/zinc/23/29/77/938232977.db2.gz DTIAAJSTLHKTJL-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@H]1CCCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC001559688822 938232978 /nfs/dbraw/zinc/23/29/78/938232978.db2.gz DTIAAJSTLHKTJL-HZPDHXFCSA-N 2 1 252.446 3.371 20 0 CGADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC001560255296 938249435 /nfs/dbraw/zinc/24/94/35/938249435.db2.gz JIQSMOQESWBQQJ-OWOJBTEDSA-N 2 1 292.373 3.194 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC001560299417 938251748 /nfs/dbraw/zinc/25/17/48/938251748.db2.gz YSUBKHHAWTZXJG-HNNXBMFYSA-N 2 1 271.408 3.050 20 0 CGADMP C[C@H](CC[NH2+]Cc1cc(O)cc(Cl)c1)[NH+]1CCCCC1 ZINC001560436856 938258661 /nfs/dbraw/zinc/25/86/61/938258661.db2.gz VAGBZCAZQJGKJS-CYBMUJFWSA-N 2 1 296.842 3.400 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC001560465220 938259362 /nfs/dbraw/zinc/25/93/62/938259362.db2.gz LILVEHPRSLEQMZ-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC001560465220 938259363 /nfs/dbraw/zinc/25/93/63/938259363.db2.gz LILVEHPRSLEQMZ-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](CC)CC2)cc1 ZINC001560724325 938272756 /nfs/dbraw/zinc/27/27/56/938272756.db2.gz GPUHIGBVERVGLB-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001561053105 938292113 /nfs/dbraw/zinc/29/21/13/938292113.db2.gz SHYTXASVHDSVPX-WJFTUGDTSA-N 2 1 286.463 3.328 20 0 CGADMP C[NH2+]Cc1cccc(Nc2ccc(C[N@@H+](C)C3CC3)cn2)c1 ZINC001165140154 958840332 /nfs/dbraw/zinc/84/03/32/958840332.db2.gz IBKRMJPDFOBMJF-UHFFFAOYSA-N 2 1 296.418 3.139 20 0 CGADMP C(C[N@H+]1CCC[C@H](C2CC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574774302 960469392 /nfs/dbraw/zinc/46/93/92/960469392.db2.gz KVKKXSUHGJGMNE-VDBQLOCMSA-N 2 1 262.441 3.029 20 0 CGADMP CCCC[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC001577419457 960475262 /nfs/dbraw/zinc/47/52/62/960475262.db2.gz SGCJLZOKZWHYLH-ROUUACIJSA-N 2 1 295.515 3.010 20 0 CGADMP CCC(CC)CCC[N@@H+](C)Cc1cc(C2C[NH2+]C2)no1 ZINC001577069541 960477770 /nfs/dbraw/zinc/47/77/70/960477770.db2.gz FCCXKEARLZGNLR-UHFFFAOYSA-N 2 1 279.428 3.010 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001574801528 962320224 /nfs/dbraw/zinc/32/02/24/962320224.db2.gz QPTDNQVIZBURNR-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCC2CCCC2)C1 ZINC001575115577 962343741 /nfs/dbraw/zinc/34/37/41/962343741.db2.gz HTQYCAPGNJUUSS-INIZCTEOSA-N 2 1 252.446 3.264 20 0 CGADMP CC(C)(C[NH3+])C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC001575315218 962348098 /nfs/dbraw/zinc/34/80/98/962348098.db2.gz MBIPZIWDWPAJLP-UHFFFAOYSA-N 2 1 266.816 3.289 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001575498069 962375594 /nfs/dbraw/zinc/37/55/94/962375594.db2.gz IDJIYBQPHIVEHC-VXLLPVPCSA-N 2 1 266.473 3.366 20 0 CGADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC001575422256 962375710 /nfs/dbraw/zinc/37/57/10/962375710.db2.gz GPONVFWBDXBARC-FVQBIDKESA-N 2 1 278.415 3.234 20 0 CGADMP CC(C)[C@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001575502280 962377026 /nfs/dbraw/zinc/37/70/26/962377026.db2.gz RZTFIDDUDMCQCF-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H]1[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC12CCCC2 ZINC001575521896 962388623 /nfs/dbraw/zinc/38/86/23/962388623.db2.gz VSNHBRIDVMVNQO-CVEARBPZSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC001575655206 962411571 /nfs/dbraw/zinc/41/15/71/962411571.db2.gz ICMXKAQEOPMBBP-INMHGKMJSA-N 2 1 289.467 3.085 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC001575966681 962428296 /nfs/dbraw/zinc/42/82/96/962428296.db2.gz RKACSTWMJLUJJP-JQWIXIFHSA-N 2 1 286.872 3.310 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576309724 962445343 /nfs/dbraw/zinc/44/53/43/962445343.db2.gz COKKCWFZHKUVNM-PVAVHDDUSA-N 2 1 258.409 3.199 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1nc2ccccc2s1 ZINC001576243459 962452159 /nfs/dbraw/zinc/45/21/59/962452159.db2.gz CKMHEXZYSBXEOY-CHWSQXEVSA-N 2 1 289.448 3.337 20 0 CGADMP CC1(C)C[N@H+](Cc2cccc(C[NH3+])c2)[C@@H]1c1ccncc1 ZINC001576457403 962455037 /nfs/dbraw/zinc/45/50/37/962455037.db2.gz CZYPAFXBNBETRY-QGZVFWFLSA-N 2 1 281.403 3.123 20 0 CGADMP CC1(C)C[N@@H+](Cc2cccc(C[NH3+])c2)[C@@H]1c1ccncc1 ZINC001576457403 962455046 /nfs/dbraw/zinc/45/50/46/962455046.db2.gz CZYPAFXBNBETRY-QGZVFWFLSA-N 2 1 281.403 3.123 20 0 CGADMP CC(C)[N@@H+](CCc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001576597657 962472623 /nfs/dbraw/zinc/47/26/23/962472623.db2.gz GZPZYGWVSNQWNO-FUHWJXTLSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2CC[C@H](C[NH3+])CC2)CC(C)(C)C1 ZINC001576807662 962490515 /nfs/dbraw/zinc/49/05/15/962490515.db2.gz UJSHVTIGDMOLNN-RBSFLKMASA-N 2 1 252.446 3.120 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)[C@@H]1CC[NH3+] ZINC001576708736 962493996 /nfs/dbraw/zinc/49/39/96/962493996.db2.gz IIZDREUJWFYKRG-SUMWQHHRSA-N 2 1 271.408 3.117 20 0 CGADMP CCC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC001577358407 962530049 /nfs/dbraw/zinc/53/00/49/962530049.db2.gz YDXNHVGXHLIZMG-WCXIOVBPSA-N 2 1 258.409 3.053 20 0 CGADMP CCCCCC[N@@H+](CCC1C[NH2+]C1)Cc1ccco1 ZINC001577429933 962546265 /nfs/dbraw/zinc/54/62/65/962546265.db2.gz CEBFHQWPCYQOOP-UHFFFAOYSA-N 2 1 264.413 3.271 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001578216848 962578530 /nfs/dbraw/zinc/57/85/30/962578530.db2.gz UNOGWJUYZMZRQC-INIZCTEOSA-N 2 1 278.465 3.253 20 0 CGADMP CCc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@H]1CCC[NH2+]1)CCO2 ZINC001578265918 962585000 /nfs/dbraw/zinc/58/50/00/962585000.db2.gz QNCBZSNGJLVQHU-FRFSOERESA-N 2 1 288.435 3.193 20 0 CGADMP COCc1csc(C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1 ZINC001579094525 962614520 /nfs/dbraw/zinc/61/45/20/962614520.db2.gz DTGYGUFXJFPOEM-ZDUSSCGKSA-N 2 1 284.469 3.138 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001579666362 962650122 /nfs/dbraw/zinc/65/01/22/962650122.db2.gz RQRWBROHHFXKDR-MRXNPFEDSA-N 2 1 272.436 3.174 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)cc1F ZINC001579690772 962658632 /nfs/dbraw/zinc/65/86/32/962658632.db2.gz ADUGRIJRBTZYBU-DOTOQJQBSA-N 2 1 276.399 3.085 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)c1 ZINC001579759814 962667279 /nfs/dbraw/zinc/66/72/79/962667279.db2.gz YQDUFGWSGGSAHN-NVXWUHKLSA-N 2 1 260.425 3.048 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC(C)(C)C[NH3+])c1C ZINC001579757264 962669803 /nfs/dbraw/zinc/66/98/03/962669803.db2.gz VGQGOQIGTKLDAQ-INIZCTEOSA-N 2 1 260.425 3.425 20 0 CGADMP Cc1ccccc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC001579799882 962681526 /nfs/dbraw/zinc/68/15/26/962681526.db2.gz FRNHZWNGQHOEFA-MRXNPFEDSA-N 2 1 272.436 3.349 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)C12CCC2 ZINC001580162863 962694624 /nfs/dbraw/zinc/69/46/24/962694624.db2.gz HDIITPZDEXMUNM-CHWSQXEVSA-N 2 1 285.218 3.353 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001580262933 962708649 /nfs/dbraw/zinc/70/86/49/962708649.db2.gz DBXKBAZZEUEOBA-CYBMUJFWSA-N 2 1 272.367 3.150 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)C1 ZINC001580387033 962720814 /nfs/dbraw/zinc/72/08/14/962720814.db2.gz GJBFBZRJSUHUHN-BBWFWOEESA-N 2 1 294.483 3.054 20 0 CGADMP c1ccc(SC2CC([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC001580895793 962742303 /nfs/dbraw/zinc/74/23/03/962742303.db2.gz SJLVBPYPTSTHIH-AVVWSFFYSA-N 2 1 288.460 3.184 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001580895394 962744632 /nfs/dbraw/zinc/74/46/32/962744632.db2.gz JFNMDFHLSFGDSO-YJBOKZPZSA-N 2 1 283.419 3.132 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C)c2)[C@@H](C)C1 ZINC000294951249 199267615 /nfs/dbraw/zinc/26/76/15/199267615.db2.gz VOGJLNVOPGPGCE-SWLSCSKDSA-N 2 1 266.454 3.219 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C)c2)[C@@H](C)C1 ZINC000294951249 199267616 /nfs/dbraw/zinc/26/76/16/199267616.db2.gz VOGJLNVOPGPGCE-SWLSCSKDSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C)c2)[C@@H](C)C1 ZINC000294951249 199267617 /nfs/dbraw/zinc/26/76/17/199267617.db2.gz VOGJLNVOPGPGCE-SWLSCSKDSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C)c2)[C@@H](C)C1 ZINC000294951249 199267618 /nfs/dbraw/zinc/26/76/18/199267618.db2.gz VOGJLNVOPGPGCE-SWLSCSKDSA-N 2 1 266.454 3.219 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000651672820 398266347 /nfs/dbraw/zinc/26/63/47/398266347.db2.gz MBANPKPKYYBKCB-CWRNSKLLSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000651676121 398267413 /nfs/dbraw/zinc/26/74/13/398267413.db2.gz OVZPGYNKQAEFEG-CWRNSKLLSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000651676122 398267578 /nfs/dbraw/zinc/26/75/78/398267578.db2.gz OVZPGYNKQAEFEG-FVQBIDKESA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783236 349586052 /nfs/dbraw/zinc/58/60/52/349586052.db2.gz YZQJNLZEPGEDGI-BMFZPTHFSA-N 2 1 262.372 3.090 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783236 349586054 /nfs/dbraw/zinc/58/60/54/349586054.db2.gz YZQJNLZEPGEDGI-BMFZPTHFSA-N 2 1 262.372 3.090 20 0 CGADMP CC1(C)CCC[NH+]1C/C=C/C[N@@H+]1CCCC1(C)C ZINC000590605772 346854553 /nfs/dbraw/zinc/85/45/53/346854553.db2.gz RXFCWTCJWRDURS-AATRIKPKSA-N 2 1 250.430 3.291 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337996480 214351823 /nfs/dbraw/zinc/35/18/23/214351823.db2.gz KESJLONTOHOROJ-GJZGRUSLSA-N 2 1 267.392 3.090 20 0 CGADMP CC[N@@H+](CCC[NH2+]CC[C@@H]1CCOC1)C1CCCCC1 ZINC000651909959 398304534 /nfs/dbraw/zinc/30/45/34/398304534.db2.gz BMLPFTCDLNJOMD-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCOC[C@H]1C)C1CCCCC1 ZINC000651910531 398305403 /nfs/dbraw/zinc/30/54/03/398305403.db2.gz XPWDJOJXRBYMIW-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000357020166 282203931 /nfs/dbraw/zinc/20/39/31/282203931.db2.gz NRJWBEUVMVYJHH-GDBMZVCRSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000357020166 282203935 /nfs/dbraw/zinc/20/39/35/282203935.db2.gz NRJWBEUVMVYJHH-GDBMZVCRSA-N 2 1 263.429 3.340 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(C)ccc1OC ZINC000423557581 529598685 /nfs/dbraw/zinc/59/86/85/529598685.db2.gz NCUMQRFLHGAFIL-INIZCTEOSA-N 2 1 276.424 3.186 20 0 CGADMP CCC[C@@H](C[NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000623086312 349757991 /nfs/dbraw/zinc/75/79/91/349757991.db2.gz JIUKUZMFFAPYTF-INIZCTEOSA-N 2 1 271.408 3.136 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1C[C@@H]1C ZINC000414109470 529613526 /nfs/dbraw/zinc/61/35/26/529613526.db2.gz HHNMYGJKCLLKCA-VGWMRTNUSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623339364 349783010 /nfs/dbraw/zinc/78/30/10/349783010.db2.gz WNOLWUSMDGWPDZ-KGLIPLIRSA-N 2 1 264.413 3.063 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623360872 349789135 /nfs/dbraw/zinc/78/91/35/349789135.db2.gz BZCKXFHDNCAIPK-MRXNPFEDSA-N 2 1 290.451 3.438 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623360872 349789138 /nfs/dbraw/zinc/78/91/38/349789138.db2.gz BZCKXFHDNCAIPK-MRXNPFEDSA-N 2 1 290.451 3.438 20 0 CGADMP C[C@H]1CCC[C@H](C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000350893320 219069193 /nfs/dbraw/zinc/06/91/93/219069193.db2.gz GEOMNLJIHFQLTE-IRXDYDNUSA-N 2 1 294.483 3.047 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192919980 529652400 /nfs/dbraw/zinc/65/24/00/529652400.db2.gz XWGBUPUVNZDWAC-QGZVFWFLSA-N 2 1 298.430 3.454 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192919980 529652403 /nfs/dbraw/zinc/65/24/03/529652403.db2.gz XWGBUPUVNZDWAC-QGZVFWFLSA-N 2 1 298.430 3.454 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623347673 349784811 /nfs/dbraw/zinc/78/48/11/349784811.db2.gz IBIPXTKWBWJZRE-KRWDZBQOSA-N 2 1 290.451 3.186 20 0 CGADMP CC[C@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000093065403 529667688 /nfs/dbraw/zinc/66/76/88/529667688.db2.gz LFBVTAZFQNZNJL-LBPRGKRZSA-N 2 1 275.371 3.456 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000294983391 199284206 /nfs/dbraw/zinc/28/42/06/199284206.db2.gz GRHRMHZTCXMFHS-VKJFTORMSA-N 2 1 272.436 3.285 20 0 CGADMP C[N@H+]1CC[C@H](N[C@@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411955 349802186 /nfs/dbraw/zinc/80/21/86/349802186.db2.gz ROKQJWYWEHDCPM-DZGCQCFKSA-N 2 1 292.398 3.112 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)CC1(C)C ZINC000623411479 349801949 /nfs/dbraw/zinc/80/19/49/349801949.db2.gz DXSFAMMMTPXQBR-INIZCTEOSA-N 2 1 278.415 3.221 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc3ccccc3o2)CC1(C)C ZINC000623427712 349805781 /nfs/dbraw/zinc/80/57/81/349805781.db2.gz KADHYKAZQGWUPG-HNNXBMFYSA-N 2 1 286.419 3.438 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623452512 349813082 /nfs/dbraw/zinc/81/30/82/349813082.db2.gz GOKYXQNWOBNWMU-INIZCTEOSA-N 2 1 274.452 3.308 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000351355530 219093891 /nfs/dbraw/zinc/09/38/91/219093891.db2.gz YJAWTHOCFPOMLA-KRWDZBQOSA-N 2 1 260.425 3.338 20 0 CGADMP CCC(CC)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000181274352 282282958 /nfs/dbraw/zinc/28/29/58/282282958.db2.gz QXGZSCJKRJWOHK-MXASKKJJSA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000181274352 282282962 /nfs/dbraw/zinc/28/29/62/282282962.db2.gz QXGZSCJKRJWOHK-MXASKKJJSA-N 2 1 282.472 3.043 20 0 CGADMP CSc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623512477 349824140 /nfs/dbraw/zinc/82/41/40/349824140.db2.gz IZZDYUCYMVXXMQ-OAHLLOKOSA-N 2 1 292.492 3.413 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)CC1(C)C ZINC000623510563 349824560 /nfs/dbraw/zinc/82/45/60/349824560.db2.gz AZEDQQVRFDGPRE-INIZCTEOSA-N 2 1 283.419 3.197 20 0 CGADMP CCC1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623656610 349858634 /nfs/dbraw/zinc/85/86/34/349858634.db2.gz YKHCTXWGELTTBU-HWOWSKLDSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000623657473 349859568 /nfs/dbraw/zinc/85/95/68/349859568.db2.gz RLPAXQNLVCTABW-HNNXBMFYSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000623657785 349859621 /nfs/dbraw/zinc/85/96/21/349859621.db2.gz YZDFJGWRJPNOGA-ZDTYVGOBSA-N 2 1 294.389 3.300 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657740 349859665 /nfs/dbraw/zinc/85/96/65/349859665.db2.gz XUCWGMHBUARBKX-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)c1 ZINC000623655051 349856642 /nfs/dbraw/zinc/85/66/42/349856642.db2.gz NCHZZEXVRLKRLP-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP C[N@@H+](CCOc1cccc(Cl)c1)CCC1CC[NH2+]CC1 ZINC000359226685 529926537 /nfs/dbraw/zinc/92/65/37/529926537.db2.gz VOSCTQOTVFFTRB-UHFFFAOYSA-N 2 1 296.842 3.040 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000423275839 529986235 /nfs/dbraw/zinc/98/62/35/529986235.db2.gz NRSJAHLNGMXCCL-ABAIWWIYSA-N 2 1 270.367 3.107 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000355040620 530051194 /nfs/dbraw/zinc/05/11/94/530051194.db2.gz PUOTXDSHJKLVQU-ROUUACIJSA-N 2 1 284.447 3.350 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000414192861 530060939 /nfs/dbraw/zinc/06/09/39/530060939.db2.gz TWCHOJYMFXLDML-IEBWSBKVSA-N 2 1 286.463 3.329 20 0 CGADMP Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000043393724 344997548 /nfs/dbraw/zinc/99/75/48/344997548.db2.gz YJVJBBXSOVBHFT-INIZCTEOSA-N 2 1 260.425 3.123 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044532927 345013074 /nfs/dbraw/zinc/01/30/74/345013074.db2.gz CVUKYJLGDTXRPQ-DOTOQJQBSA-N 2 1 260.425 3.315 20 0 CGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000069392026 345379852 /nfs/dbraw/zinc/37/98/52/345379852.db2.gz ZYZXVSJZOQJFPP-KGLIPLIRSA-N 2 1 290.373 3.324 20 0 CGADMP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2[nH+]1 ZINC000075061540 345493218 /nfs/dbraw/zinc/49/32/18/345493218.db2.gz SHRYWDFJHXCSJW-CABCVRRESA-N 2 1 281.403 3.216 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000295117399 199353972 /nfs/dbraw/zinc/35/39/72/199353972.db2.gz VZLHOAPLYREJIJ-DAYGRLMNSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000295117399 199353974 /nfs/dbraw/zinc/35/39/74/199353974.db2.gz VZLHOAPLYREJIJ-DAYGRLMNSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000084946367 345743689 /nfs/dbraw/zinc/74/36/89/345743689.db2.gz OISMQVDQSGVMQH-CJNGLKHVSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634731 345715891 /nfs/dbraw/zinc/71/58/91/345715891.db2.gz SCLVZTQEXCSGIP-NVXWUHKLSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634731 345715894 /nfs/dbraw/zinc/71/58/94/345715894.db2.gz SCLVZTQEXCSGIP-NVXWUHKLSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634731 345715898 /nfs/dbraw/zinc/71/58/98/345715898.db2.gz SCLVZTQEXCSGIP-NVXWUHKLSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634725 345716471 /nfs/dbraw/zinc/71/64/71/345716471.db2.gz SCLVZTQEXCSGIP-DOTOQJQBSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634725 345716473 /nfs/dbraw/zinc/71/64/73/345716473.db2.gz SCLVZTQEXCSGIP-DOTOQJQBSA-N 2 1 272.436 3.411 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634725 345716475 /nfs/dbraw/zinc/71/64/75/345716475.db2.gz SCLVZTQEXCSGIP-DOTOQJQBSA-N 2 1 272.436 3.411 20 0 CGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000171648351 232268420 /nfs/dbraw/zinc/26/84/20/232268420.db2.gz NKKZMLXQEBGQPU-KRWDZBQOSA-N 2 1 281.403 3.324 20 0 CGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000171648351 232268421 /nfs/dbraw/zinc/26/84/21/232268421.db2.gz NKKZMLXQEBGQPU-KRWDZBQOSA-N 2 1 281.403 3.324 20 0 CGADMP COc1ccsc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563745 345882823 /nfs/dbraw/zinc/88/28/23/345882823.db2.gz BIUIDFUCOTZCRH-AWEZNQCLSA-N 2 1 294.464 3.207 20 0 CGADMP COc1ccsc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563745 345882827 /nfs/dbraw/zinc/88/28/27/345882827.db2.gz BIUIDFUCOTZCRH-AWEZNQCLSA-N 2 1 294.464 3.207 20 0 CGADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576494 345934530 /nfs/dbraw/zinc/93/45/30/345934530.db2.gz JDGGYZRKRNGNBQ-IYBDPMFKSA-N 2 1 286.463 3.252 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150796186 346133653 /nfs/dbraw/zinc/13/36/53/346133653.db2.gz YNSFMLPCMNEVJZ-QGZVFWFLSA-N 2 1 272.436 3.221 20 0 CGADMP c1c2ccccc2oc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257675848 346400650 /nfs/dbraw/zinc/40/06/50/346400650.db2.gz JSCXPUDRDPEYRK-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP c1c2ccccc2oc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257675848 346400653 /nfs/dbraw/zinc/40/06/53/346400653.db2.gz JSCXPUDRDPEYRK-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP CCOC1CC(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000351722127 219187207 /nfs/dbraw/zinc/18/72/07/219187207.db2.gz VBKNOUMAEPDPLN-CTMQZQKCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1Cl ZINC000314028070 346481313 /nfs/dbraw/zinc/48/13/13/346481313.db2.gz UBBCJDBQCJEOKD-LBPRGKRZSA-N 2 1 277.799 3.357 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339071835 346501083 /nfs/dbraw/zinc/50/10/83/346501083.db2.gz SGBBJCCPAGPJBB-CAOSSQGBSA-N 2 1 282.497 3.267 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]CCc1c[nH+]cn1C ZINC000401773698 346592767 /nfs/dbraw/zinc/59/27/67/346592767.db2.gz LBFKISUAWCEOHI-UHFFFAOYSA-N 2 1 283.375 3.061 20 0 CGADMP C[NH+](C/C=C/C[N@H+](C)CC(C)(C)C)CC(C)(C)C ZINC000588903500 346774345 /nfs/dbraw/zinc/77/43/45/346774345.db2.gz ZTUKVWFPMBMNPL-MDZDMXLPSA-N 2 1 254.462 3.498 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000588177784 346754926 /nfs/dbraw/zinc/75/49/26/346754926.db2.gz HONMGOUNOJATQN-MTLXSTRDSA-N 2 1 270.420 3.306 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000624120266 349976782 /nfs/dbraw/zinc/97/67/82/349976782.db2.gz VASCUYRSGASIRA-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000624120266 349976786 /nfs/dbraw/zinc/97/67/86/349976786.db2.gz VASCUYRSGASIRA-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120056 349977108 /nfs/dbraw/zinc/97/71/08/349977108.db2.gz QOSUJYPHSOQHTB-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120357 349977424 /nfs/dbraw/zinc/97/74/24/349977424.db2.gz XGHNHPZNQOJRHJ-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120357 349977427 /nfs/dbraw/zinc/97/74/27/349977427.db2.gz XGHNHPZNQOJRHJ-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000624122195 349979687 /nfs/dbraw/zinc/97/96/87/349979687.db2.gz MAZRJTKKQDWAJF-HZPDHXFCSA-N 2 1 289.467 3.135 20 0 CGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1F ZINC000624121784 349980749 /nfs/dbraw/zinc/98/07/49/349980749.db2.gz CXANLEBDAAXENN-UONOGXRCSA-N 2 1 294.414 3.217 20 0 CGADMP C[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000339408136 215152760 /nfs/dbraw/zinc/15/27/60/215152760.db2.gz QKGHCXGTTSHGSR-ABAIWWIYSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000339408136 215152761 /nfs/dbraw/zinc/15/27/61/215152761.db2.gz QKGHCXGTTSHGSR-ABAIWWIYSA-N 2 1 284.806 3.081 20 0 CGADMP Cc1cc(C)cc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000607739251 348260428 /nfs/dbraw/zinc/26/04/28/348260428.db2.gz KATPYGICZVRLDT-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000607739251 348260429 /nfs/dbraw/zinc/26/04/29/348260429.db2.gz KATPYGICZVRLDT-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000607739251 348260432 /nfs/dbraw/zinc/26/04/32/348260432.db2.gz KATPYGICZVRLDT-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000607739251 348260435 /nfs/dbraw/zinc/26/04/35/348260435.db2.gz KATPYGICZVRLDT-DLBZAZTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000607358232 348235743 /nfs/dbraw/zinc/23/57/43/348235743.db2.gz WAJFYENFUJGHEP-KRWDZBQOSA-N 2 1 274.452 3.385 20 0 CGADMP Cc1cc(C)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000607358232 348235746 /nfs/dbraw/zinc/23/57/46/348235746.db2.gz WAJFYENFUJGHEP-KRWDZBQOSA-N 2 1 274.452 3.385 20 0 CGADMP Cc1cc(C)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000607358232 348235749 /nfs/dbraw/zinc/23/57/49/348235749.db2.gz WAJFYENFUJGHEP-KRWDZBQOSA-N 2 1 274.452 3.385 20 0 CGADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000608061543 348280292 /nfs/dbraw/zinc/28/02/92/348280292.db2.gz JZJHYEHURXWCSJ-DKZLNJBMSA-N 2 1 258.409 3.162 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(N(C)C)c2)C[C@@H]1C ZINC000608564448 348318353 /nfs/dbraw/zinc/31/83/53/348318353.db2.gz LSUSWJDLEJNAQB-YJBOKZPZSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(N(C)C)c2)C[C@@H]1C ZINC000608564448 348318356 /nfs/dbraw/zinc/31/83/56/348318356.db2.gz LSUSWJDLEJNAQB-YJBOKZPZSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(N(C)C)c2)C[C@@H]1C ZINC000608564448 348318358 /nfs/dbraw/zinc/31/83/58/348318358.db2.gz LSUSWJDLEJNAQB-YJBOKZPZSA-N 2 1 289.467 3.057 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000128904640 187397730 /nfs/dbraw/zinc/39/77/30/187397730.db2.gz BMJHJKOOEVZPQF-ZDUSSCGKSA-N 2 1 278.827 3.222 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)[nH+]c2c1 ZINC000613537267 348616176 /nfs/dbraw/zinc/61/61/76/348616176.db2.gz JQLAJOHWVRRVGX-HOTGVXAUSA-N 2 1 295.430 3.312 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)[nH+]c2c1 ZINC000613537267 348616179 /nfs/dbraw/zinc/61/61/79/348616179.db2.gz JQLAJOHWVRRVGX-HOTGVXAUSA-N 2 1 295.430 3.312 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000358065814 233051588 /nfs/dbraw/zinc/05/15/88/233051588.db2.gz SPNPSNJZUWAUSI-CZUORRHYSA-N 2 1 296.455 3.238 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000358089312 233057115 /nfs/dbraw/zinc/05/71/15/233057115.db2.gz UDVYVFNYSOWIEK-OLZOCXBDSA-N 2 1 277.456 3.488 20 0 CGADMP F[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000339586900 215260999 /nfs/dbraw/zinc/26/09/99/215260999.db2.gz NINYEVDTBVCXRT-IAGOWNOFSA-N 2 1 276.399 3.131 20 0 CGADMP CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000624298204 350019626 /nfs/dbraw/zinc/01/96/26/350019626.db2.gz NKYRMUOVRADPQU-NUTKFTJISA-N 2 1 285.391 3.009 20 0 CGADMP Fc1cccc(CC[N@@H+](CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000359228554 233282822 /nfs/dbraw/zinc/28/28/22/233282822.db2.gz XRODFLJZCNCQJX-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccsc1Cl ZINC000359723285 233365826 /nfs/dbraw/zinc/36/58/26/233365826.db2.gz RSFZAMRCNLPTAT-SNVBAGLBSA-N 2 1 283.828 3.332 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000628308650 350491924 /nfs/dbraw/zinc/49/19/24/350491924.db2.gz BNJXXEMCYONDFA-SJORKVTESA-N 2 1 274.452 3.420 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628285501 350478352 /nfs/dbraw/zinc/47/83/52/350478352.db2.gz WSVGLWGDSQMCNY-NEPJUHHUSA-N 2 1 262.388 3.130 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628285501 350478355 /nfs/dbraw/zinc/47/83/55/350478355.db2.gz WSVGLWGDSQMCNY-NEPJUHHUSA-N 2 1 262.388 3.130 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000628425724 350537049 /nfs/dbraw/zinc/53/70/49/350537049.db2.gz SYQRZRIAISTLBJ-IPJUCJBFSA-N 2 1 286.463 3.428 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000629527801 350702874 /nfs/dbraw/zinc/70/28/74/350702874.db2.gz GOILKURCUSAKRW-WCXIOVBPSA-N 2 1 287.451 3.146 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC000629535393 350704887 /nfs/dbraw/zinc/70/48/87/350704887.db2.gz CBFCBOYXSAEEKJ-IWCQGFGOSA-N 2 1 258.409 3.053 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629539578 350706639 /nfs/dbraw/zinc/70/66/39/350706639.db2.gz QVYNFLYWUSYHFP-XLAORIBOSA-N 2 1 296.499 3.421 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540339 350706869 /nfs/dbraw/zinc/70/68/69/350706869.db2.gz OVHVDPIEYMKSFD-LALPHHSUSA-N 2 1 282.378 3.016 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629541729 350707671 /nfs/dbraw/zinc/70/76/71/350707671.db2.gz UUWQRRPONKQTJF-YVSFHVDLSA-N 2 1 287.451 3.146 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C[NH2+]1 ZINC000629542870 350708636 /nfs/dbraw/zinc/70/86/36/350708636.db2.gz NUCJWPHUPNISGS-UBDQQSCGSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000629547266 350709947 /nfs/dbraw/zinc/70/99/47/350709947.db2.gz SHTVVXRHXZHMGR-RUAUBTSSSA-N 2 1 278.827 3.316 20 0 CGADMP FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000629553361 350712159 /nfs/dbraw/zinc/71/21/59/350712159.db2.gz XCBGFSBTEPZPMX-RBSFLKMASA-N 2 1 298.352 3.293 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629406888 350689612 /nfs/dbraw/zinc/68/96/12/350689612.db2.gz PTKNKQKJTUCCGE-IJEWVQPXSA-N 2 1 260.425 3.083 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000629513625 350699723 /nfs/dbraw/zinc/69/97/23/350699723.db2.gz MESKJLCFRMVMDS-UHFFFAOYSA-N 2 1 277.456 3.184 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000629513625 350699725 /nfs/dbraw/zinc/69/97/25/350699725.db2.gz MESKJLCFRMVMDS-UHFFFAOYSA-N 2 1 277.456 3.184 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000629518408 350700670 /nfs/dbraw/zinc/70/06/70/350700670.db2.gz IWZYSOJWYUERPZ-ULQDDVLXSA-N 2 1 287.451 3.073 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000629654896 350731388 /nfs/dbraw/zinc/73/13/88/350731388.db2.gz UCMGPLADGOPZAF-IXDOHACOSA-N 2 1 260.425 3.156 20 0 CGADMP Cc1scc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000631055937 350939198 /nfs/dbraw/zinc/93/91/98/350939198.db2.gz ICMFIZPYIYTTLC-CQSZACIVSA-N 2 1 266.454 3.185 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000631206304 350991549 /nfs/dbraw/zinc/99/15/49/350991549.db2.gz KFOCXDHEIALSHA-CQSZACIVSA-N 2 1 266.454 3.327 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1C ZINC000631206304 350991552 /nfs/dbraw/zinc/99/15/52/350991552.db2.gz KFOCXDHEIALSHA-CQSZACIVSA-N 2 1 266.454 3.327 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)F ZINC000631661040 351108567 /nfs/dbraw/zinc/10/85/67/351108567.db2.gz ZVVHANCXCSDUPA-ZBFHGGJFSA-N 2 1 278.415 3.235 20 0 CGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631663021 351109610 /nfs/dbraw/zinc/10/96/10/351109610.db2.gz ORXQWSBBFINALJ-OAHLLOKOSA-N 2 1 292.442 3.420 20 0 CGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](C)CC1 ZINC000631564349 351068050 /nfs/dbraw/zinc/06/80/50/351068050.db2.gz KFZYAHSHCOWECQ-AWEZNQCLSA-N 2 1 285.435 3.173 20 0 CGADMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(C)ccn1 ZINC000631608303 351089194 /nfs/dbraw/zinc/08/91/94/351089194.db2.gz PXPVQROOIRUPAH-MRXNPFEDSA-N 2 1 273.424 3.083 20 0 CGADMP FC(F)c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631890607 351152541 /nfs/dbraw/zinc/15/25/41/351152541.db2.gz TURHWQCSPMMTQD-LSDHHAIUSA-N 2 1 280.362 3.198 20 0 CGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000634683486 351569629 /nfs/dbraw/zinc/56/96/29/351569629.db2.gz SHMWQQFKRLNLID-RDJZCZTQSA-N 2 1 294.483 3.331 20 0 CGADMP c1cnc2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000634688094 351573587 /nfs/dbraw/zinc/57/35/87/351573587.db2.gz IDGADFWADIWSSK-RTBURBONSA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000634688094 351573589 /nfs/dbraw/zinc/57/35/89/351573589.db2.gz IDGADFWADIWSSK-RTBURBONSA-N 2 1 295.430 3.341 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc2ncccc12)C1CCCCC1 ZINC000634688369 351573929 /nfs/dbraw/zinc/57/39/29/351573929.db2.gz QKWCHQNBCDULSB-GOSISDBHSA-N 2 1 283.419 3.232 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000634732736 351578092 /nfs/dbraw/zinc/57/80/92/351578092.db2.gz NLUFUJOWGHPCLE-ZDUSSCGKSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(F)c1F ZINC000635009511 351627677 /nfs/dbraw/zinc/62/76/77/351627677.db2.gz HPJPNPGPYFHDPC-RYUDHWBXSA-N 2 1 282.378 3.394 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000635010961 351629271 /nfs/dbraw/zinc/62/92/71/351629271.db2.gz LOPDMEFRKPMYAI-OLZOCXBDSA-N 2 1 264.413 3.271 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cc(F)ccc1F ZINC000635010615 351629282 /nfs/dbraw/zinc/62/92/82/351629282.db2.gz KQTKUTKTBCUBEB-DGCLKSJQSA-N 2 1 282.378 3.394 20 0 CGADMP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000122626603 187041857 /nfs/dbraw/zinc/04/18/57/187041857.db2.gz FTHLBZGLGSLTNJ-CRAIPNDOSA-N 2 1 290.451 3.043 20 0 CGADMP CCC(CC)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000122702451 187046544 /nfs/dbraw/zinc/04/65/44/187046544.db2.gz UQJBRWZVWIFHCA-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000271544086 191203282 /nfs/dbraw/zinc/20/32/82/191203282.db2.gz ZKVIXOJMMHTKHN-JKSUJKDBSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000271544086 191203285 /nfs/dbraw/zinc/20/32/85/191203285.db2.gz ZKVIXOJMMHTKHN-JKSUJKDBSA-N 2 1 275.440 3.305 20 0 CGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000292272401 198225840 /nfs/dbraw/zinc/22/58/40/198225840.db2.gz ZQUZTOAUEAQFCP-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc2n1 ZINC000292272401 198225841 /nfs/dbraw/zinc/22/58/41/198225841.db2.gz ZQUZTOAUEAQFCP-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc2n1 ZINC000292272401 198225843 /nfs/dbraw/zinc/22/58/43/198225843.db2.gz ZQUZTOAUEAQFCP-IBGZPJMESA-N 2 1 295.430 3.071 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000152397449 188015670 /nfs/dbraw/zinc/01/56/70/188015670.db2.gz NIIZQDZXRJGAIB-JKSUJKDBSA-N 2 1 272.436 3.438 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000153105457 188065198 /nfs/dbraw/zinc/06/51/98/188065198.db2.gz VZYGDKBRGWIEPZ-GUYCJALGSA-N 2 1 285.391 3.010 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000368481028 234313020 /nfs/dbraw/zinc/31/30/20/234313020.db2.gz DLEMXUNJXJZLGF-UHFFFAOYSA-N 2 1 285.391 3.354 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000368481028 234313023 /nfs/dbraw/zinc/31/30/23/234313023.db2.gz DLEMXUNJXJZLGF-UHFFFAOYSA-N 2 1 285.391 3.354 20 0 CGADMP CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157054328 188295285 /nfs/dbraw/zinc/29/52/85/188295285.db2.gz DZUFQGNCFNLORV-NVXWUHKLSA-N 2 1 260.425 3.381 20 0 CGADMP CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157054328 188295286 /nfs/dbraw/zinc/29/52/86/188295286.db2.gz DZUFQGNCFNLORV-NVXWUHKLSA-N 2 1 260.425 3.381 20 0 CGADMP CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157054328 188295288 /nfs/dbraw/zinc/29/52/88/188295288.db2.gz DZUFQGNCFNLORV-NVXWUHKLSA-N 2 1 260.425 3.381 20 0 CGADMP CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157054328 188295289 /nfs/dbraw/zinc/29/52/89/188295289.db2.gz DZUFQGNCFNLORV-NVXWUHKLSA-N 2 1 260.425 3.381 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292682046 198374348 /nfs/dbraw/zinc/37/43/48/198374348.db2.gz ATQODMZFQCMWQH-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292682046 198374350 /nfs/dbraw/zinc/37/43/50/198374350.db2.gz ATQODMZFQCMWQH-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292682046 198374351 /nfs/dbraw/zinc/37/43/51/198374351.db2.gz ATQODMZFQCMWQH-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020128917 282925195 /nfs/dbraw/zinc/92/51/95/282925195.db2.gz IWRGPFMHLSTNOZ-UHFFFAOYSA-N 2 1 286.341 3.281 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000375887799 234778244 /nfs/dbraw/zinc/77/82/44/234778244.db2.gz JNEYITXWCRDUKC-ZNMIVQPWSA-N 2 1 264.438 3.019 20 0 CGADMP Cc1cccc(CC[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271825677 191351253 /nfs/dbraw/zinc/35/12/53/191351253.db2.gz DBXJLBKWVZKJDF-INIZCTEOSA-N 2 1 272.436 3.168 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000271868181 191379703 /nfs/dbraw/zinc/37/97/03/191379703.db2.gz LYTKJWIKGYERBP-MOPGFXCFSA-N 2 1 284.447 3.249 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@@H]3C[C@H]3C)CCCC2)CC1 ZINC000414129513 235342672 /nfs/dbraw/zinc/34/26/72/235342672.db2.gz VBNDYEMHGBUVTG-BFYDXBDKSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000414172281 235353908 /nfs/dbraw/zinc/35/39/08/235353908.db2.gz DRQVFBJXQZJZJD-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)oc1C ZINC000414192583 235360076 /nfs/dbraw/zinc/36/00/76/235360076.db2.gz SLWCDXLQRCTXHA-UKRRQHHQSA-N 2 1 264.413 3.279 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC1(C)C ZINC000414217474 235366740 /nfs/dbraw/zinc/36/67/40/235366740.db2.gz CMHZOVBGQYDWMQ-XIRDDKMYSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC1(C)C ZINC000414217474 235366741 /nfs/dbraw/zinc/36/67/41/235366741.db2.gz CMHZOVBGQYDWMQ-XIRDDKMYSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)C[NH+](C)C ZINC000293730236 198750183 /nfs/dbraw/zinc/75/01/83/198750183.db2.gz QACPYLVYRCMVMF-SMDDNHRTSA-N 2 1 282.428 3.150 20 0 CGADMP CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273773896 192300820 /nfs/dbraw/zinc/30/08/20/192300820.db2.gz RMEHQJQFYDQOJB-RDJZCZTQSA-N 2 1 292.492 3.382 20 0 CGADMP CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273773896 192300822 /nfs/dbraw/zinc/30/08/22/192300822.db2.gz RMEHQJQFYDQOJB-RDJZCZTQSA-N 2 1 292.492 3.382 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000093491372 138345944 /nfs/dbraw/zinc/34/59/44/138345944.db2.gz SZCATPNXYOXTFN-HYVNUMGLSA-N 2 1 294.389 3.365 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000105480736 138352405 /nfs/dbraw/zinc/35/24/05/138352405.db2.gz YZXCMYFBBYJMJQ-RISCZKNCSA-N 2 1 286.341 3.135 20 0 CGADMP C[C@H](CNc1ccnc(C2CC2)n1)[N@@H+](C)Cc1ccccc1 ZINC000110594760 138363577 /nfs/dbraw/zinc/36/35/77/138363577.db2.gz YVOBWWPORDUCCL-CQSZACIVSA-N 2 1 296.418 3.286 20 0 CGADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000124750213 138377536 /nfs/dbraw/zinc/37/75/36/138377536.db2.gz HMDGAJBZBPYTOS-IRXDYDNUSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C1CC1 ZINC000124823868 138378078 /nfs/dbraw/zinc/37/80/78/138378078.db2.gz SXWMYIHWSWZMPX-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)C1CC1 ZINC000124823868 138378079 /nfs/dbraw/zinc/37/80/79/138378079.db2.gz SXWMYIHWSWZMPX-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000124823868 138378080 /nfs/dbraw/zinc/37/80/80/138378080.db2.gz SXWMYIHWSWZMPX-MRXNPFEDSA-N 2 1 258.409 3.135 20 0 CGADMP CCC[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125263564 138380479 /nfs/dbraw/zinc/38/04/79/138380479.db2.gz CZKSBNRPDUCUFJ-INIZCTEOSA-N 2 1 263.429 3.484 20 0 CGADMP CCC[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125263564 138380481 /nfs/dbraw/zinc/38/04/81/138380481.db2.gz CZKSBNRPDUCUFJ-INIZCTEOSA-N 2 1 263.429 3.484 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000125615646 138383754 /nfs/dbraw/zinc/38/37/54/138383754.db2.gz RZOZITTXNVPYPX-INIZCTEOSA-N 2 1 297.446 3.340 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC[N@H+]1C ZINC000128381093 138393410 /nfs/dbraw/zinc/39/34/10/138393410.db2.gz IBHCHTPZXUEHDZ-QAPCUYQASA-N 2 1 295.430 3.321 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1F ZINC000128546859 138393987 /nfs/dbraw/zinc/39/39/87/138393987.db2.gz BSYDWNIADADHKI-CYBMUJFWSA-N 2 1 294.414 3.358 20 0 CGADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423234891 236004270 /nfs/dbraw/zinc/00/42/70/236004270.db2.gz MMEMYABUBHAPBQ-FRRDWIJNSA-N 2 1 289.448 3.130 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423278110 236020031 /nfs/dbraw/zinc/02/00/31/236020031.db2.gz PKKQZQKMMBVTTH-ZIBATOQPSA-N 2 1 266.816 3.159 20 0 CGADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2nccs2)cc1 ZINC000423294601 236026838 /nfs/dbraw/zinc/02/68/38/236026838.db2.gz UYEZHGPNQVJLRO-QWRGUYRKSA-N 2 1 261.394 3.014 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000423297313 236028275 /nfs/dbraw/zinc/02/82/75/236028275.db2.gz JSORKYUUBJPNOZ-RQJHMYQMSA-N 2 1 267.225 3.300 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423307377 236033584 /nfs/dbraw/zinc/03/35/84/236033584.db2.gz NBEOBRPVTLBWDO-MNOVXSKESA-N 2 1 293.411 3.195 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423319542 236037053 /nfs/dbraw/zinc/03/70/53/236037053.db2.gz DLHGTCMLIWKTBV-LRDDRELGSA-N 2 1 296.842 3.389 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423363130 236050104 /nfs/dbraw/zinc/05/01/04/236050104.db2.gz BMQGYNGEBXKDKU-GUYCJALGSA-N 2 1 272.367 3.046 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CCC2)o1 ZINC000423362587 236050464 /nfs/dbraw/zinc/05/04/64/236050464.db2.gz NBEGJSALVFMULS-ZBFHGGJFSA-N 2 1 262.397 3.161 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C2CCC2)o1 ZINC000423405321 236065720 /nfs/dbraw/zinc/06/57/20/236065720.db2.gz TUCAPRROXNZVRA-DIOULYMOSA-N 2 1 262.397 3.017 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2cccs2)cc1 ZINC000423442619 236072415 /nfs/dbraw/zinc/07/24/15/236072415.db2.gz VDFBXGOQEDVTRQ-ZYIUAKIQSA-N 2 1 284.428 3.284 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCCCC1 ZINC000423527726 236093959 /nfs/dbraw/zinc/09/39/59/236093959.db2.gz MOHDCWLIHFKQRG-JCGIZDLHSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)c(F)cc1F)CC[NH2+]CC2 ZINC000424389034 236158881 /nfs/dbraw/zinc/15/88/81/236158881.db2.gz ZVKYKHPHEGIARB-LLVKDONJSA-N 2 1 298.352 3.068 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000336235375 213066271 /nfs/dbraw/zinc/06/62/71/213066271.db2.gz DFOVKMBMXUNIDT-MNOVXSKESA-N 2 1 278.783 3.255 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000336235375 213066272 /nfs/dbraw/zinc/06/62/72/213066272.db2.gz DFOVKMBMXUNIDT-MNOVXSKESA-N 2 1 278.783 3.255 20 0 CGADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4CCC[C@H]43)cc2)cn1 ZINC000426492617 236298804 /nfs/dbraw/zinc/29/88/04/236298804.db2.gz SYZHBQMDMZKPFW-DOTOQJQBSA-N 2 1 267.376 3.247 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCc2cccc(Cl)c2)CC1 ZINC000298091899 200331118 /nfs/dbraw/zinc/33/11/18/200331118.db2.gz MTHNIQSQTBJUSP-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cccc(Cl)c2)CC1 ZINC000298091899 200331119 /nfs/dbraw/zinc/33/11/19/200331119.db2.gz MTHNIQSQTBJUSP-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP CSc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298165257 200349427 /nfs/dbraw/zinc/34/94/27/200349427.db2.gz SXAFWGOCGQHEJZ-UHFFFAOYSA-N 2 1 290.476 3.167 20 0 CGADMP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000177947081 189081138 /nfs/dbraw/zinc/08/11/38/189081138.db2.gz GNCQRVOBXUSXAK-XYJFISCASA-N 2 1 290.451 3.001 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178699758 189138499 /nfs/dbraw/zinc/13/84/99/189138499.db2.gz VRXHBKCRYBELBB-KGLIPLIRSA-N 2 1 287.407 3.187 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000178702221 189138775 /nfs/dbraw/zinc/13/87/75/189138775.db2.gz BNHHCOFHOIRXMJ-WDEREUQCSA-N 2 1 292.452 3.252 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(O)c1 ZINC000178757730 189143698 /nfs/dbraw/zinc/14/36/98/189143698.db2.gz MWYQFFDTIXZEQO-AWEZNQCLSA-N 2 1 288.435 3.450 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000179084918 189168192 /nfs/dbraw/zinc/16/81/92/189168192.db2.gz URVZRABFHGJHHP-LLVKDONJSA-N 2 1 295.789 3.410 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)c(Cl)c1 ZINC000342136573 216234009 /nfs/dbraw/zinc/23/40/09/216234009.db2.gz QUCZHEILVWZWCU-VIFPVBQESA-N 2 1 256.752 3.011 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179631570 189208624 /nfs/dbraw/zinc/20/86/24/189208624.db2.gz FRJJNGKKDSBLNO-OAHLLOKOSA-N 2 1 298.430 3.232 20 0 CGADMP CC/C=C\CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000342251822 216278985 /nfs/dbraw/zinc/27/89/85/216278985.db2.gz RGLUCESEJSEPGG-YIEVGGLXSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C\CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000342251822 216278989 /nfs/dbraw/zinc/27/89/89/216278989.db2.gz RGLUCESEJSEPGG-YIEVGGLXSA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C\CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000342251822 216278993 /nfs/dbraw/zinc/27/89/93/216278993.db2.gz RGLUCESEJSEPGG-YIEVGGLXSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000181641632 189303567 /nfs/dbraw/zinc/30/35/67/189303567.db2.gz JVTZLZFOJBFNNC-WCQYABFASA-N 2 1 268.351 3.100 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000181641632 189303568 /nfs/dbraw/zinc/30/35/68/189303568.db2.gz JVTZLZFOJBFNNC-WCQYABFASA-N 2 1 268.351 3.100 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000449373829 239358588 /nfs/dbraw/zinc/35/85/88/239358588.db2.gz URZCFNHZAIHCJW-BMFZPTHFSA-N 2 1 276.399 3.412 20 0 CGADMP CCOCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120024637 370732716 /nfs/dbraw/zinc/73/27/16/370732716.db2.gz FBQMRPVYNJQLTM-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP CCOCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120024637 370732719 /nfs/dbraw/zinc/73/27/19/370732719.db2.gz FBQMRPVYNJQLTM-UHFFFAOYSA-N 2 1 290.451 3.009 20 0 CGADMP C[C@]1(F)CCCN(C/C=C\C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000451111599 240220068 /nfs/dbraw/zinc/22/00/68/240220068.db2.gz GBOSBQFRXKNZOW-HFZJXRFXSA-N 2 1 286.410 3.191 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451971707 240388094 /nfs/dbraw/zinc/38/80/94/240388094.db2.gz NLTHRDDHXGLUGB-MRXNPFEDSA-N 2 1 291.345 3.307 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451971707 240388097 /nfs/dbraw/zinc/38/80/97/240388097.db2.gz NLTHRDDHXGLUGB-MRXNPFEDSA-N 2 1 291.345 3.307 20 0 CGADMP CSCC[C@@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120610171 370786705 /nfs/dbraw/zinc/78/67/05/370786705.db2.gz CREFZMXKXLAIQD-CYBMUJFWSA-N 2 1 269.458 3.045 20 0 CGADMP CSCC[C@@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120610171 370786710 /nfs/dbraw/zinc/78/67/10/370786710.db2.gz CREFZMXKXLAIQD-CYBMUJFWSA-N 2 1 269.458 3.045 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000275687911 193105754 /nfs/dbraw/zinc/10/57/54/193105754.db2.gz HYNQKGQGXKENBF-GFCCVEGCSA-N 2 1 277.799 3.238 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccs1 ZINC000121434607 370861626 /nfs/dbraw/zinc/86/16/26/370861626.db2.gz RUHLOKOIKONLCM-RYUDHWBXSA-N 2 1 263.410 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000459535612 242126337 /nfs/dbraw/zinc/12/63/37/242126337.db2.gz VYAYIYMCWKRNLN-QGZVFWFLSA-N 2 1 284.447 3.431 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000335543941 212243819 /nfs/dbraw/zinc/24/38/19/212243819.db2.gz NQCBRUOKZSLBLM-ZDUSSCGKSA-N 2 1 293.480 3.231 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360428 242089919 /nfs/dbraw/zinc/08/99/19/242089919.db2.gz FUAAJCGOLWXDKH-NEWSRXKRSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459793167 242237553 /nfs/dbraw/zinc/23/75/53/242237553.db2.gz SYNXKEILHVOYDV-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000462687872 242358081 /nfs/dbraw/zinc/35/80/81/242358081.db2.gz RZKDUQNTFDSLNF-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000462687872 242358086 /nfs/dbraw/zinc/35/80/86/242358086.db2.gz RZKDUQNTFDSLNF-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3cc(F)ccc23)CC[N@H+]1C ZINC000462896474 242375719 /nfs/dbraw/zinc/37/57/19/242375719.db2.gz UPBYSZONGRYVKT-DGCLKSJQSA-N 2 1 273.355 3.269 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480662802 243159884 /nfs/dbraw/zinc/15/98/84/243159884.db2.gz WGKLZCCTXMXYMS-GUYCJALGSA-N 2 1 296.405 3.217 20 0 CGADMP CC[C@H](C)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000481032874 243174585 /nfs/dbraw/zinc/17/45/85/243174585.db2.gz IWQUTXUDNBLIPF-YESZJQIVSA-N 2 1 296.499 3.244 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cncs1 ZINC000359932818 296121914 /nfs/dbraw/zinc/12/19/14/296121914.db2.gz HIIDCQPZJRTKCK-ZIAGYGMSSA-N 2 1 281.469 3.306 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000484467503 243313161 /nfs/dbraw/zinc/31/31/61/243313161.db2.gz ACBZIOCCMOAFRT-SFHVURJKSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000484467503 243313164 /nfs/dbraw/zinc/31/31/64/243313164.db2.gz ACBZIOCCMOAFRT-SFHVURJKSA-N 2 1 274.452 3.329 20 0 CGADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC1CCCCC1 ZINC000484818028 243321352 /nfs/dbraw/zinc/32/13/52/243321352.db2.gz GTBJENNRPAATPA-KZNAEPCWSA-N 2 1 294.483 3.094 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000124607455 370925633 /nfs/dbraw/zinc/92/56/33/370925633.db2.gz BXMLNUZVBMDAPT-LZWOXQAQSA-N 2 1 296.480 3.146 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000124607455 370925639 /nfs/dbraw/zinc/92/56/39/370925639.db2.gz BXMLNUZVBMDAPT-LZWOXQAQSA-N 2 1 296.480 3.146 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000124793405 370927859 /nfs/dbraw/zinc/92/78/59/370927859.db2.gz YHEDZHNDMKGMTA-NSHDSACASA-N 2 1 274.330 3.308 20 0 CGADMP CCOc1ccccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000019912867 368782727 /nfs/dbraw/zinc/78/27/27/368782727.db2.gz UTPHOTDWHAJTMX-MRXNPFEDSA-N 2 1 290.451 3.439 20 0 CGADMP CCOc1ccccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000019912867 368782732 /nfs/dbraw/zinc/78/27/32/368782732.db2.gz UTPHOTDWHAJTMX-MRXNPFEDSA-N 2 1 290.451 3.439 20 0 CGADMP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019914632 368783948 /nfs/dbraw/zinc/78/39/48/368783948.db2.gz YBQQCZUPSJZQNV-OAHLLOKOSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000019958664 368789107 /nfs/dbraw/zinc/78/91/07/368789107.db2.gz DLCFHXCLUZPCOW-LLVKDONJSA-N 2 1 274.330 3.308 20 0 CGADMP COc1cccc2cc([C@@H](C)[NH2+]CCC[NH+](C)C)oc21 ZINC000020091915 368800431 /nfs/dbraw/zinc/80/04/31/368800431.db2.gz PJPOLJAIMQUNSG-GFCCVEGCSA-N 2 1 276.380 3.044 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC000035120780 368997977 /nfs/dbraw/zinc/99/79/77/368997977.db2.gz BOWRMYXGQGIANT-UHFFFAOYSA-N 2 1 290.476 3.136 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000036908280 369036776 /nfs/dbraw/zinc/03/67/76/369036776.db2.gz WJFVNCMVOPUZRL-TYNCELHUSA-N 2 1 298.377 3.106 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000035012891 368989481 /nfs/dbraw/zinc/98/94/81/368989481.db2.gz GWXCAQJSHVTDON-KRWDZBQOSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000037140873 369067847 /nfs/dbraw/zinc/06/78/47/369067847.db2.gz BLZUSBUFUWPUKQ-LLVKDONJSA-N 2 1 280.362 3.242 20 0 CGADMP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1ccccc1OC ZINC000037210922 369075299 /nfs/dbraw/zinc/07/52/99/369075299.db2.gz LFXKBVPWPWKXAB-INIZCTEOSA-N 2 1 278.440 3.468 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000037644622 369094516 /nfs/dbraw/zinc/09/45/16/369094516.db2.gz LYSAKBWPPCRDND-DOTOQJQBSA-N 2 1 260.425 3.315 20 0 CGADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000037786425 369113376 /nfs/dbraw/zinc/11/33/76/369113376.db2.gz ZBCQRRCLBAIGBV-UHFFFAOYSA-N 2 1 276.424 3.048 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000041631621 369193379 /nfs/dbraw/zinc/19/33/79/369193379.db2.gz HFHGDZLDQSYRBX-QWHCGFSZSA-N 2 1 278.465 3.445 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)s1 ZINC000041631556 369193461 /nfs/dbraw/zinc/19/34/61/369193461.db2.gz IFLKQLHFUGUIJI-STQMWFEESA-N 2 1 266.454 3.303 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527719 369264209 /nfs/dbraw/zinc/26/42/09/369264209.db2.gz IBGDPNFHYIAESK-VXGBXAGGSA-N 2 1 286.341 3.437 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1C ZINC000494964383 244338425 /nfs/dbraw/zinc/33/84/25/244338425.db2.gz OVGARTSIBVIQKQ-JHNDHUHGSA-N 2 1 264.457 3.418 20 0 CGADMP C(C[N@H+]1CCC[C@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000045074295 369274908 /nfs/dbraw/zinc/27/49/08/369274908.db2.gz BARMIUIJTNWQHL-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000053147908 369477262 /nfs/dbraw/zinc/47/72/62/369477262.db2.gz LBVOGNYZGOZRMX-JMSVASOKSA-N 2 1 266.816 3.158 20 0 CGADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000276369265 193303425 /nfs/dbraw/zinc/30/34/25/193303425.db2.gz ASPGNVNVPPOWOK-INIZCTEOSA-N 2 1 257.381 3.094 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(F)c1 ZINC000062078678 369618951 /nfs/dbraw/zinc/61/89/51/369618951.db2.gz DWUISVSCHOPJKG-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC000072858469 369841370 /nfs/dbraw/zinc/84/13/70/369841370.db2.gz DWJRSVPKKJCICG-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC000072858469 369841374 /nfs/dbraw/zinc/84/13/74/369841374.db2.gz DWJRSVPKKJCICG-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000072858469 369841378 /nfs/dbraw/zinc/84/13/78/369841378.db2.gz DWJRSVPKKJCICG-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000072858469 369841380 /nfs/dbraw/zinc/84/13/80/369841380.db2.gz DWJRSVPKKJCICG-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](C/C=C/c3ccc(F)cc3)CC[C@@H]21 ZINC000092043455 370089094 /nfs/dbraw/zinc/08/90/94/370089094.db2.gz ZOCIGKRRYYAWDQ-IDIOJLOMSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](C/C=C/c3ccc(F)cc3)CC[C@@H]21 ZINC000092043455 370089097 /nfs/dbraw/zinc/08/90/97/370089097.db2.gz ZOCIGKRRYYAWDQ-IDIOJLOMSA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)CC[C@@H]21 ZINC000092043455 370089104 /nfs/dbraw/zinc/08/91/04/370089104.db2.gz ZOCIGKRRYYAWDQ-IDIOJLOMSA-N 2 1 288.410 3.255 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1F ZINC000092043320 370089182 /nfs/dbraw/zinc/08/91/82/370089182.db2.gz QCLHZWUCQXMLCD-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1F ZINC000092043320 370089185 /nfs/dbraw/zinc/08/91/85/370089185.db2.gz QCLHZWUCQXMLCD-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1F ZINC000092043320 370089191 /nfs/dbraw/zinc/08/91/91/370089191.db2.gz QCLHZWUCQXMLCD-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1F ZINC000092043320 370089194 /nfs/dbraw/zinc/08/91/94/370089194.db2.gz QCLHZWUCQXMLCD-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383684 370095266 /nfs/dbraw/zinc/09/52/66/370095266.db2.gz ACFZTAZEZNYTSA-RDTXWAMCSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000093597511 370144927 /nfs/dbraw/zinc/14/49/27/370144927.db2.gz UFMHLLMMFRPNRN-MRXNPFEDSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000093597511 370144932 /nfs/dbraw/zinc/14/49/32/370144932.db2.gz UFMHLLMMFRPNRN-MRXNPFEDSA-N 2 1 276.399 3.052 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC)c2)C1 ZINC000093741885 370155479 /nfs/dbraw/zinc/15/54/79/370155479.db2.gz GOHLIUBZWJOKFL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC)c2)C1 ZINC000093741885 370155484 /nfs/dbraw/zinc/15/54/84/370155484.db2.gz GOHLIUBZWJOKFL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCC)c2)C1 ZINC000093741885 370155492 /nfs/dbraw/zinc/15/54/92/370155492.db2.gz GOHLIUBZWJOKFL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCC)c2)C1 ZINC000093741885 370155495 /nfs/dbraw/zinc/15/54/95/370155495.db2.gz GOHLIUBZWJOKFL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000094012090 370164755 /nfs/dbraw/zinc/16/47/55/370164755.db2.gz QEPWOHCZEYDYHI-UHFFFAOYSA-N 2 1 264.388 3.036 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC000109787303 370366671 /nfs/dbraw/zinc/36/66/71/370366671.db2.gz KZDZFWGSLSJLDS-UHFFFAOYSA-N 2 1 260.425 3.301 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000113516411 370475838 /nfs/dbraw/zinc/47/58/38/370475838.db2.gz VYKAJJKPZJETEU-INIZCTEOSA-N 2 1 268.404 3.223 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCn2ccc3ccccc32)CC[N@H+]1C ZINC000129636558 370996544 /nfs/dbraw/zinc/99/65/44/370996544.db2.gz SJSXFXDNGBKKHI-DOTOQJQBSA-N 2 1 285.435 3.104 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129805734 371000763 /nfs/dbraw/zinc/00/07/63/371000763.db2.gz HABHHZHMNUYQQK-ILXRZTDVSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129805734 371000769 /nfs/dbraw/zinc/00/07/69/371000769.db2.gz HABHHZHMNUYQQK-ILXRZTDVSA-N 2 1 276.424 3.137 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000130618414 371046586 /nfs/dbraw/zinc/04/65/86/371046586.db2.gz XVMSXRPYFDQMJE-FUHWJXTLSA-N 2 1 287.451 3.168 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000129970350 371008945 /nfs/dbraw/zinc/00/89/45/371008945.db2.gz MAGUPCKKMXSEIQ-XVSSEFHLSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[N@H+]1C ZINC000129970350 371008948 /nfs/dbraw/zinc/00/89/48/371008948.db2.gz MAGUPCKKMXSEIQ-XVSSEFHLSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccccc32)CC[N@@H+]1C ZINC000130075235 371012359 /nfs/dbraw/zinc/01/23/59/371012359.db2.gz MZULWBYKCPZSLT-UMVBOHGHSA-N 2 1 276.449 3.296 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130237855 371020601 /nfs/dbraw/zinc/02/06/01/371020601.db2.gz DQWRVVRFPBPFRF-DJIMGWMZSA-N 2 1 258.409 3.272 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000537851763 376204266 /nfs/dbraw/zinc/20/42/66/376204266.db2.gz QKSPKGNXDJXCOB-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000537851763 376204271 /nfs/dbraw/zinc/20/42/71/376204271.db2.gz QKSPKGNXDJXCOB-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000537851763 376204278 /nfs/dbraw/zinc/20/42/78/376204278.db2.gz QKSPKGNXDJXCOB-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCC[NH3+] ZINC000133745946 371275902 /nfs/dbraw/zinc/27/59/02/371275902.db2.gz AWVIMBKUWLEHKE-JTQLQIEISA-N 2 1 260.303 3.047 20 0 CGADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCC[NH3+] ZINC000133746145 371277333 /nfs/dbraw/zinc/27/73/33/371277333.db2.gz AWVIMBKUWLEHKE-SNVBAGLBSA-N 2 1 260.303 3.047 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000136324684 371472965 /nfs/dbraw/zinc/47/29/65/371472965.db2.gz GUTVJCYDXACCLH-CABCVRRESA-N 2 1 278.440 3.033 20 0 CGADMP CN(c1cc[nH+]c2ccsc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286445668 371502517 /nfs/dbraw/zinc/50/25/17/371502517.db2.gz RQHLJUWSLWHXFS-FUNVUKJBSA-N 2 1 287.432 3.358 20 0 CGADMP CN(c1cc[nH+]c2ccsc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286445668 371502522 /nfs/dbraw/zinc/50/25/22/371502522.db2.gz RQHLJUWSLWHXFS-FUNVUKJBSA-N 2 1 287.432 3.358 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCCCC1 ZINC000149917415 371530862 /nfs/dbraw/zinc/53/08/62/371530862.db2.gz XERRWJLAEXZRQA-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2OCC)C1 ZINC000151133841 371573608 /nfs/dbraw/zinc/57/36/08/371573608.db2.gz ZMMFDJNMSQUVKL-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2OCC)C1 ZINC000151133841 371573613 /nfs/dbraw/zinc/57/36/13/371573613.db2.gz ZMMFDJNMSQUVKL-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000151127025 371574264 /nfs/dbraw/zinc/57/42/64/371574264.db2.gz DDRYOILSKOKUPK-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087130 371601714 /nfs/dbraw/zinc/60/17/14/371601714.db2.gz PCFAHZQTLQRSQW-OWCLPIDISA-N 2 1 298.434 3.006 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC000421820545 371642139 /nfs/dbraw/zinc/64/21/39/371642139.db2.gz MUGYVPJWKUSBPP-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1F ZINC000151925751 371651586 /nfs/dbraw/zinc/65/15/86/371651586.db2.gz YEHLCLJXGQGXOS-LLVKDONJSA-N 2 1 270.417 3.150 20 0 CGADMP CSc1cccc(F)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000287416927 371652984 /nfs/dbraw/zinc/65/29/84/371652984.db2.gz JWJAHJQZGCLJCD-OLZOCXBDSA-N 2 1 294.439 3.264 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC[N@@H+]1C ZINC000337341985 214019807 /nfs/dbraw/zinc/01/98/07/214019807.db2.gz QYCWVGRGJONYRD-MXSMSXNCSA-N 2 1 287.451 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC[N@H+]1C ZINC000337341985 214019810 /nfs/dbraw/zinc/01/98/10/214019810.db2.gz QYCWVGRGJONYRD-MXSMSXNCSA-N 2 1 287.451 3.180 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1C(F)(F)F ZINC000422560328 371749254 /nfs/dbraw/zinc/74/92/54/371749254.db2.gz GKERHHZJYOGUHT-UHFFFAOYSA-N 2 1 298.352 3.342 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422712984 371764113 /nfs/dbraw/zinc/76/41/13/371764113.db2.gz JGBDMFASXANWMY-MJBXVCDLSA-N 2 1 261.413 3.360 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)c1c[nH+]ccc1N ZINC000422730210 371772926 /nfs/dbraw/zinc/77/29/26/371772926.db2.gz LTUUKNHGNDMDBP-HZSPNIEDSA-N 2 1 261.413 3.361 20 0 CGADMP C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1c[nH+]ccc1N ZINC000422786037 371805850 /nfs/dbraw/zinc/80/58/50/371805850.db2.gz OANRGXNGMAIPRG-GJZGRUSLSA-N 2 1 299.418 3.313 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422791982 371811829 /nfs/dbraw/zinc/81/18/29/371811829.db2.gz YXTAWGLZEXYSBO-RDGKXADDSA-N 2 1 274.408 3.019 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C3C[NH2+]C3)c(C)c2c1 ZINC000422858175 371843664 /nfs/dbraw/zinc/84/36/64/371843664.db2.gz HXENHDDCVCAZPI-VXGBXAGGSA-N 2 1 288.391 3.008 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422865450 371845172 /nfs/dbraw/zinc/84/51/72/371845172.db2.gz YECBREGGFFJWLO-MSOLQXFVSA-N 2 1 282.387 3.448 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289937251 371857181 /nfs/dbraw/zinc/85/71/81/371857181.db2.gz VYKSMNHZOMRNPI-CABCVRRESA-N 2 1 283.419 3.227 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289937251 371857192 /nfs/dbraw/zinc/85/71/92/371857192.db2.gz VYKSMNHZOMRNPI-CABCVRRESA-N 2 1 283.419 3.227 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1Cl ZINC000422948099 371886212 /nfs/dbraw/zinc/88/62/12/371886212.db2.gz ZQYWIZABIRQJQT-ZIAGYGMSSA-N 2 1 282.815 3.098 20 0 CGADMP C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000036827141 541860522 /nfs/dbraw/zinc/86/05/22/541860522.db2.gz FPGJEGZDCMUMIN-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]([NH2+]CCc1csc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422935541 371879491 /nfs/dbraw/zinc/87/94/91/371879491.db2.gz KVXVVWCGZFNRNY-DOMZBBRYSA-N 2 1 274.433 3.174 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422937330 371880976 /nfs/dbraw/zinc/88/09/76/371880976.db2.gz JMJAWVCSWJGHGV-OALUTQOASA-N 2 1 296.414 3.235 20 0 CGADMP C1=C(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000423053036 371936423 /nfs/dbraw/zinc/93/64/23/371936423.db2.gz RVGLFCMRJVTZFE-RCCFBDPRSA-N 2 1 292.467 3.014 20 0 CGADMP CC1(C)C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422954305 371890301 /nfs/dbraw/zinc/89/03/01/371890301.db2.gz HXACQSRNNQMCCC-PMPSAXMXSA-N 2 1 258.409 3.115 20 0 CGADMP C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1c[nH+]ccc1N ZINC000422958363 371890418 /nfs/dbraw/zinc/89/04/18/371890418.db2.gz XKUQBBLLBIPLNF-JTQLQIEISA-N 2 1 293.773 3.180 20 0 CGADMP CCCOc1cccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422989952 371903682 /nfs/dbraw/zinc/90/36/82/371903682.db2.gz MRBHNPPRAMTZCQ-CRAIPNDOSA-N 2 1 290.451 3.138 20 0 CGADMP COc1cc(C)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423000296 371908185 /nfs/dbraw/zinc/90/81/85/371908185.db2.gz GOBOEABWQAHVNX-KXBFYZLASA-N 2 1 298.430 3.052 20 0 CGADMP COc1cc(C)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423000292 371908722 /nfs/dbraw/zinc/90/87/22/371908722.db2.gz GOBOEABWQAHVNX-DNVCBOLYSA-N 2 1 298.430 3.052 20 0 CGADMP COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423004731 371909995 /nfs/dbraw/zinc/90/99/95/371909995.db2.gz PYTHJFRDRRNNBO-QZTJIDSGSA-N 2 1 282.387 3.238 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423006513 371912238 /nfs/dbraw/zinc/91/22/38/371912238.db2.gz VOPIFJUUXCIFCB-RHSMWYFYSA-N 2 1 290.451 3.093 20 0 CGADMP CC[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000290172526 371920487 /nfs/dbraw/zinc/92/04/87/371920487.db2.gz MVBVAYUYDQBCQM-DYVFJYSZSA-N 2 1 287.407 3.256 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000423044548 371929756 /nfs/dbraw/zinc/92/97/56/371929756.db2.gz BHDSTQKXRSSEBU-KGLIPLIRSA-N 2 1 268.351 3.374 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423045997 371931831 /nfs/dbraw/zinc/93/18/31/371931831.db2.gz DSGGUIWUWHSKLJ-HZPDHXFCSA-N 2 1 272.392 3.491 20 0 CGADMP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423050087 371933457 /nfs/dbraw/zinc/93/34/57/371933457.db2.gz LGLOLCMKWJGRDL-LEUOFYLZSA-N 2 1 288.435 3.027 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1(C)C ZINC000423048847 371933811 /nfs/dbraw/zinc/93/38/11/371933811.db2.gz JGMDLUVAEICQFG-VVLHAWIVSA-N 2 1 288.435 3.313 20 0 CGADMP Cc1cccc(OCCC[NH2+][C@@H](C)c2c[nH+]ccc2N)c1C ZINC000423091872 371957698 /nfs/dbraw/zinc/95/76/98/371957698.db2.gz ZJTJHKLGULVTHH-HNNXBMFYSA-N 2 1 299.418 3.231 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423104255 371967671 /nfs/dbraw/zinc/96/76/71/371967671.db2.gz YDAVRYBDNZVUJX-QCPWZWHMSA-N 2 1 276.399 3.049 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423105421 371968547 /nfs/dbraw/zinc/96/85/47/371968547.db2.gz NFINGPUAFMCSKI-DGCLKSJQSA-N 2 1 286.872 3.312 20 0 CGADMP C[C@H]([NH2+]CCc1cc2ccccc2s1)[C@@H]1CCC[NH2+]1 ZINC000423126578 371979312 /nfs/dbraw/zinc/97/93/12/371979312.db2.gz BAAXLTBTJHANRM-WFASDCNBSA-N 2 1 274.433 3.174 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C)c1C ZINC000290397864 371981025 /nfs/dbraw/zinc/98/10/25/371981025.db2.gz JGAYLVHFNUHXPY-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C)c1C ZINC000290397864 371981029 /nfs/dbraw/zinc/98/10/29/371981029.db2.gz JGAYLVHFNUHXPY-UHFFFAOYSA-N 2 1 271.408 3.330 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CCC[NH2+]1 ZINC000423129689 371982507 /nfs/dbraw/zinc/98/25/07/371982507.db2.gz XQSYHFFRULWMHC-BDXSIMOUSA-N 2 1 288.435 3.027 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000423139197 371986773 /nfs/dbraw/zinc/98/67/73/371986773.db2.gz ZETWHZFIGZEVKN-VWYCJHECSA-N 2 1 270.829 3.248 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290468411 371994670 /nfs/dbraw/zinc/99/46/70/371994670.db2.gz NIJQLDVXQFABHI-VKJFTORMSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290468411 371994677 /nfs/dbraw/zinc/99/46/77/371994677.db2.gz NIJQLDVXQFABHI-VKJFTORMSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000290468411 371994680 /nfs/dbraw/zinc/99/46/80/371994680.db2.gz NIJQLDVXQFABHI-VKJFTORMSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000290468411 371994685 /nfs/dbraw/zinc/99/46/85/371994685.db2.gz NIJQLDVXQFABHI-VKJFTORMSA-N 2 1 292.442 3.419 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423158649 371996602 /nfs/dbraw/zinc/99/66/02/371996602.db2.gz OKRISBKMKZTYGK-MJBXVCDLSA-N 2 1 261.413 3.361 20 0 CGADMP COCCCC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423090641 371955574 /nfs/dbraw/zinc/95/55/74/371955574.db2.gz XYJUFRJNLCLWLQ-NXHRZFHOSA-N 2 1 290.451 3.275 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000290546807 372014988 /nfs/dbraw/zinc/01/49/88/372014988.db2.gz YXHAXSARSJQOQD-GOSISDBHSA-N 3 1 289.467 3.033 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194581 372019594 /nfs/dbraw/zinc/01/95/94/372019594.db2.gz ZBGAINVEUNOJBI-LJQANCHMSA-N 2 1 295.430 3.229 20 0 CGADMP Clc1ccccc1C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423196633 372020658 /nfs/dbraw/zinc/02/06/58/372020658.db2.gz VTLPGCUMGGBMGV-GDBMZVCRSA-N 2 1 278.827 3.003 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cn1 ZINC000423197919 372021276 /nfs/dbraw/zinc/02/12/76/372021276.db2.gz BZCQUWAWAFDEPW-AWEZNQCLSA-N 2 1 278.444 3.166 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581933 372023082 /nfs/dbraw/zinc/02/30/82/372023082.db2.gz UPYFFEBHUKGHRQ-XHDPSFHLSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581933 372023089 /nfs/dbraw/zinc/02/30/89/372023089.db2.gz UPYFFEBHUKGHRQ-XHDPSFHLSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581933 372023093 /nfs/dbraw/zinc/02/30/93/372023093.db2.gz UPYFFEBHUKGHRQ-XHDPSFHLSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000290581933 372023097 /nfs/dbraw/zinc/02/30/97/372023097.db2.gz UPYFFEBHUKGHRQ-XHDPSFHLSA-N 2 1 284.806 3.251 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2c(c1)OCO2 ZINC000423205472 372028723 /nfs/dbraw/zinc/02/87/23/372028723.db2.gz VTGRRATZZNZOBG-ZDUSSCGKSA-N 2 1 290.407 3.118 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2cccnc12 ZINC000344160918 217079077 /nfs/dbraw/zinc/07/90/77/217079077.db2.gz GFSLBNCUTPKXRR-MSOLQXFVSA-N 2 1 295.430 3.260 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ncccc2c1 ZINC000290620649 372030651 /nfs/dbraw/zinc/03/06/51/372030651.db2.gz XGKLURMCQHRHJJ-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ncccc2c1 ZINC000290620649 372030656 /nfs/dbraw/zinc/03/06/56/372030656.db2.gz XGKLURMCQHRHJJ-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2ncccc2c1 ZINC000290620649 372030662 /nfs/dbraw/zinc/03/06/62/372030662.db2.gz XGKLURMCQHRHJJ-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000290620649 372030671 /nfs/dbraw/zinc/03/06/71/372030671.db2.gz XGKLURMCQHRHJJ-KDOFPFPSSA-N 2 1 283.419 3.007 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423208592 372032857 /nfs/dbraw/zinc/03/28/57/372032857.db2.gz ZJUZLAXGWMHBFC-ZDUSSCGKSA-N 2 1 258.365 3.207 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C1CCCCC1 ZINC000423259716 372044113 /nfs/dbraw/zinc/04/41/13/372044113.db2.gz FQXBUVJLVNSEHH-IRXDYDNUSA-N 2 1 288.435 3.267 20 0 CGADMP C[C@]1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCC[NH2+]C1 ZINC000423344750 372053818 /nfs/dbraw/zinc/05/38/18/372053818.db2.gz OOHHPDNAXXRIMU-RDJZCZTQSA-N 2 1 292.398 3.019 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185881 372057654 /nfs/dbraw/zinc/05/76/54/372057654.db2.gz RWZHTOPEBZIWFH-OLZOCXBDSA-N 2 1 278.465 3.229 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185881 372057660 /nfs/dbraw/zinc/05/76/60/372057660.db2.gz RWZHTOPEBZIWFH-OLZOCXBDSA-N 2 1 278.465 3.229 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000158187570 372058229 /nfs/dbraw/zinc/05/82/29/372058229.db2.gz ILOZWQRJKKGAOP-BLLLJJGKSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000158187570 372058231 /nfs/dbraw/zinc/05/82/31/372058231.db2.gz ILOZWQRJKKGAOP-BLLLJJGKSA-N 2 1 282.378 3.347 20 0 CGADMP [NH3+]CC[NH2+][C@@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000423176758 372006607 /nfs/dbraw/zinc/00/66/07/372006607.db2.gz CZJBRPJJAKYCAB-SFHVURJKSA-N 2 1 286.394 3.438 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(F)c1 ZINC000423178174 372007314 /nfs/dbraw/zinc/00/73/14/372007314.db2.gz KOHPZXLNZUNGPM-LBPRGKRZSA-N 2 1 250.361 3.138 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)c(F)c1 ZINC000423183429 372010365 /nfs/dbraw/zinc/01/03/65/372010365.db2.gz RTAOYNFSXGYCPR-LLVKDONJSA-N 2 1 268.351 3.277 20 0 CGADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423182605 372010659 /nfs/dbraw/zinc/01/06/59/372010659.db2.gz QNNSOHLOCXHWLQ-OAHLLOKOSA-N 2 1 292.398 3.073 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCSCc1ccccc1 ZINC000290542277 372012336 /nfs/dbraw/zinc/01/23/36/372012336.db2.gz RHKXCVNVQJVODD-WBVHZDCISA-N 2 1 292.492 3.192 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCSCc1ccccc1 ZINC000290542277 372012342 /nfs/dbraw/zinc/01/23/42/372012342.db2.gz RHKXCVNVQJVODD-WBVHZDCISA-N 2 1 292.492 3.192 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCSCc1ccccc1 ZINC000290542277 372012348 /nfs/dbraw/zinc/01/23/48/372012348.db2.gz RHKXCVNVQJVODD-WBVHZDCISA-N 2 1 292.492 3.192 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCSCc1ccccc1 ZINC000290542277 372012351 /nfs/dbraw/zinc/01/23/51/372012351.db2.gz RHKXCVNVQJVODD-WBVHZDCISA-N 2 1 292.492 3.192 20 0 CGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCCC12CCCCC2 ZINC000423476479 372068438 /nfs/dbraw/zinc/06/84/38/372068438.db2.gz LOCCKZSHBPCEOQ-KBPBESRZSA-N 2 1 286.410 3.324 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497866 372071264 /nfs/dbraw/zinc/07/12/64/372071264.db2.gz HMTIHFGBRJPUMI-OAUYIBNBSA-N 2 1 258.409 3.342 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OC)cc1 ZINC000423529205 372072004 /nfs/dbraw/zinc/07/20/04/372072004.db2.gz OEEPYBYURZUJFI-DLBZAZTESA-N 2 1 276.424 3.253 20 0 CGADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000423536524 372072402 /nfs/dbraw/zinc/07/24/02/372072402.db2.gz ZMZSGPFWYMFJQG-DLBZAZTESA-N 2 1 270.420 3.054 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CCCO2 ZINC000425944610 372146419 /nfs/dbraw/zinc/14/64/19/372146419.db2.gz NNPJRNDYCPJPIZ-WMLDXEAASA-N 2 1 290.451 3.304 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000291644437 372172910 /nfs/dbraw/zinc/17/29/10/372172910.db2.gz UDSCENCKKFTWBP-HUUCEWRRSA-N 2 1 278.440 3.032 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000291644437 372172913 /nfs/dbraw/zinc/17/29/13/372172913.db2.gz UDSCENCKKFTWBP-HUUCEWRRSA-N 2 1 278.440 3.032 20 0 CGADMP CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccn1 ZINC000159312760 372130868 /nfs/dbraw/zinc/13/08/68/372130868.db2.gz YQCGIJYPGRKMEP-ZOBUZTSGSA-N 2 1 275.440 3.385 20 0 CGADMP CC(C)O[C@H](C[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000428464827 372213206 /nfs/dbraw/zinc/21/32/06/372213206.db2.gz VXKIMOVZBMZLKL-GOSISDBHSA-N 2 1 290.451 3.179 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000160970436 372292846 /nfs/dbraw/zinc/29/28/46/372292846.db2.gz BQAFNXCDYIYOIO-HZMBPMFUSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000160970436 372292851 /nfs/dbraw/zinc/29/28/51/372292851.db2.gz BQAFNXCDYIYOIO-HZMBPMFUSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000292952275 372259497 /nfs/dbraw/zinc/25/94/97/372259497.db2.gz KRRKMFYVSDGZJB-SJLPKXTDSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000292952277 372259822 /nfs/dbraw/zinc/25/98/22/372259822.db2.gz KRRKMFYVSDGZJB-WMZOPIPTSA-N 2 1 272.436 3.208 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4cccnc43)C2)C1 ZINC000292971955 372265335 /nfs/dbraw/zinc/26/53/35/372265335.db2.gz MKIIVGPSJWHQKF-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4cccnc43)C2)C1 ZINC000292971955 372265341 /nfs/dbraw/zinc/26/53/41/372265341.db2.gz MKIIVGPSJWHQKF-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4cccnc43)C2)C1 ZINC000292971955 372265347 /nfs/dbraw/zinc/26/53/47/372265347.db2.gz MKIIVGPSJWHQKF-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000429039253 372307343 /nfs/dbraw/zinc/30/73/43/372307343.db2.gz HNCFYHYEFOSZPT-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000429039253 372307347 /nfs/dbraw/zinc/30/73/47/372307347.db2.gz HNCFYHYEFOSZPT-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000429039253 372307351 /nfs/dbraw/zinc/30/73/51/372307351.db2.gz HNCFYHYEFOSZPT-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000161587480 372338522 /nfs/dbraw/zinc/33/85/22/372338522.db2.gz ZKOYBNUOZVUKRG-UHFFFAOYSA-N 2 1 263.410 3.084 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000161587480 372338528 /nfs/dbraw/zinc/33/85/28/372338528.db2.gz ZKOYBNUOZVUKRG-UHFFFAOYSA-N 2 1 263.410 3.084 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000161673508 372345487 /nfs/dbraw/zinc/34/54/87/372345487.db2.gz MTZLTPHFDIYHNV-HDMKZQKVSA-N 2 1 290.451 3.294 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429514857 372372796 /nfs/dbraw/zinc/37/27/96/372372796.db2.gz MPTVPEOABHJRKQ-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429514857 372372803 /nfs/dbraw/zinc/37/28/03/372372803.db2.gz MPTVPEOABHJRKQ-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP c1cn(CC[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cn1 ZINC000162226812 372381870 /nfs/dbraw/zinc/38/18/70/372381870.db2.gz LXHCPBXOEJIWRZ-CQSZACIVSA-N 2 1 298.415 3.330 20 0 CGADMP c1cn(CCN2CCC[C@@H]2c2nc3ccccc3s2)cn1 ZINC000162226812 372381878 /nfs/dbraw/zinc/38/18/78/372381878.db2.gz LXHCPBXOEJIWRZ-CQSZACIVSA-N 2 1 298.415 3.330 20 0 CGADMP C[N@@H+](CCn1ccnc1)Cc1ccc(Cl)c(Cl)c1 ZINC000162229696 372382718 /nfs/dbraw/zinc/38/27/18/372382718.db2.gz SGGAFSPCCUDLMO-UHFFFAOYSA-N 2 1 284.190 3.322 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000430705380 372392061 /nfs/dbraw/zinc/39/20/61/372392061.db2.gz LFMJUMHOVNTTPQ-HWMZRRJGSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430939115 372408530 /nfs/dbraw/zinc/40/85/30/372408530.db2.gz FEJKRIODHGYDEK-QAPCUYQASA-N 2 1 298.430 3.278 20 0 CGADMP Cc1ccc(SCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1C ZINC000430942736 372408572 /nfs/dbraw/zinc/40/85/72/372408572.db2.gz DRQNLSPEHOGULV-GOEBONIOSA-N 2 1 278.465 3.065 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)oc21 ZINC000293363684 372365522 /nfs/dbraw/zinc/36/55/22/372365522.db2.gz HMKQCLLMPFBJEF-OLZOCXBDSA-N 2 1 290.407 3.290 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000162801606 372422218 /nfs/dbraw/zinc/42/22/18/372422218.db2.gz FIRNJBRAFRVVQW-INIZCTEOSA-N 2 1 272.396 3.137 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000162801606 372422224 /nfs/dbraw/zinc/42/22/24/372422224.db2.gz FIRNJBRAFRVVQW-INIZCTEOSA-N 2 1 272.396 3.137 20 0 CGADMP CCOc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293608073 372423877 /nfs/dbraw/zinc/42/38/77/372423877.db2.gz JUHBSBACNACBHR-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293608073 372423879 /nfs/dbraw/zinc/42/38/79/372423879.db2.gz JUHBSBACNACBHR-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293608073 372423880 /nfs/dbraw/zinc/42/38/80/372423880.db2.gz JUHBSBACNACBHR-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684074 372449946 /nfs/dbraw/zinc/44/99/46/372449946.db2.gz PZAWVDLLBZKOQV-ROVVAWJSSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684074 372449953 /nfs/dbraw/zinc/44/99/53/372449953.db2.gz PZAWVDLLBZKOQV-ROVVAWJSSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684074 372449957 /nfs/dbraw/zinc/44/99/57/372449957.db2.gz PZAWVDLLBZKOQV-ROVVAWJSSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684074 372449963 /nfs/dbraw/zinc/44/99/63/372449963.db2.gz PZAWVDLLBZKOQV-ROVVAWJSSA-N 2 1 288.410 3.257 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000164627373 372525876 /nfs/dbraw/zinc/52/58/76/372525876.db2.gz PJCIFORNSURJFU-KBXCAEBGSA-N 2 1 283.419 3.495 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000164695499 372529350 /nfs/dbraw/zinc/52/93/50/372529350.db2.gz ZTGMFFJSHUZHCF-AWEZNQCLSA-N 2 1 289.427 3.100 20 0 CGADMP CC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000432777431 372572388 /nfs/dbraw/zinc/57/23/88/372572388.db2.gz CPUHDCFLGSHJFP-GDBMZVCRSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000432777431 372572393 /nfs/dbraw/zinc/57/23/93/372572393.db2.gz CPUHDCFLGSHJFP-GDBMZVCRSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000432777431 372572398 /nfs/dbraw/zinc/57/23/98/372572398.db2.gz CPUHDCFLGSHJFP-GDBMZVCRSA-N 2 1 262.441 3.125 20 0 CGADMP CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000432777431 372572403 /nfs/dbraw/zinc/57/24/03/372572403.db2.gz CPUHDCFLGSHJFP-GDBMZVCRSA-N 2 1 262.441 3.125 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000294175698 372604131 /nfs/dbraw/zinc/60/41/31/372604131.db2.gz DBGVTTDMWMQTCL-IUODEOHRSA-N 2 1 264.438 3.273 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000344511222 217217021 /nfs/dbraw/zinc/21/70/21/217217021.db2.gz ISQSLVKXFMCDQZ-PBHICJAKSA-N 2 1 283.419 3.055 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000344511222 217217024 /nfs/dbraw/zinc/21/70/24/217217024.db2.gz ISQSLVKXFMCDQZ-PBHICJAKSA-N 2 1 283.419 3.055 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000434772960 372708269 /nfs/dbraw/zinc/70/82/69/372708269.db2.gz HBPHYYWFAXUBTR-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435374765 372754060 /nfs/dbraw/zinc/75/40/60/372754060.db2.gz YEIVDQZTKGTSJX-DZGCQCFKSA-N 2 1 270.376 3.116 20 0 CGADMP CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435394428 372759297 /nfs/dbraw/zinc/75/92/97/372759297.db2.gz NGWJSTGEWZYUGZ-RDJZCZTQSA-N 2 1 290.451 3.263 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2s1)[C@H]1CCC[NH2+]CC1 ZINC000435434001 372762639 /nfs/dbraw/zinc/76/26/39/372762639.db2.gz VPRBEXSXJWOZGM-AWEZNQCLSA-N 2 1 274.433 3.475 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1nccc2ccccc21 ZINC000353423019 220075474 /nfs/dbraw/zinc/07/54/74/220075474.db2.gz CKXWNJCFKVJCCJ-GJZGRUSLSA-N 2 1 295.430 3.370 20 0 CGADMP CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435618024 372783731 /nfs/dbraw/zinc/78/37/31/372783731.db2.gz PCKXWFMUYRPXTD-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC000151431788 284348423 /nfs/dbraw/zinc/34/84/23/284348423.db2.gz IYKJBAFAYYXXSS-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151431788 284348424 /nfs/dbraw/zinc/34/84/24/284348424.db2.gz IYKJBAFAYYXXSS-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151431788 284348425 /nfs/dbraw/zinc/34/84/25/284348425.db2.gz IYKJBAFAYYXXSS-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000344624558 217253516 /nfs/dbraw/zinc/25/35/16/217253516.db2.gz JDZKOKNIBUVGNW-KXBFYZLASA-N 2 1 295.430 3.321 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cs1 ZINC000295611865 372847089 /nfs/dbraw/zinc/84/70/89/372847089.db2.gz DUFBCOQCWAIQBJ-MRXNPFEDSA-N 2 1 278.465 3.220 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)[NH+]1CCCC1 ZINC000353457488 220093667 /nfs/dbraw/zinc/09/36/67/220093667.db2.gz ZIOWHUMGBGUYAG-PMPSAXMXSA-N 2 1 270.436 3.225 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102303 372880415 /nfs/dbraw/zinc/88/04/15/372880415.db2.gz DJHFQBXTCTUHBC-CPUCHLNUSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102303 372880405 /nfs/dbraw/zinc/88/04/05/372880405.db2.gz DJHFQBXTCTUHBC-CPUCHLNUSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102303 372880407 /nfs/dbraw/zinc/88/04/07/372880407.db2.gz DJHFQBXTCTUHBC-CPUCHLNUSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102303 372880411 /nfs/dbraw/zinc/88/04/11/372880411.db2.gz DJHFQBXTCTUHBC-CPUCHLNUSA-N 2 1 278.415 3.344 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000438102303 372880413 /nfs/dbraw/zinc/88/04/13/372880413.db2.gz DJHFQBXTCTUHBC-CPUCHLNUSA-N 2 1 278.415 3.344 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000353503314 220123779 /nfs/dbraw/zinc/12/37/79/220123779.db2.gz OKMWYKUYPIVRPB-NEWSRXKRSA-N 2 1 295.430 3.197 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353503364 220122484 /nfs/dbraw/zinc/12/24/84/220122484.db2.gz ORYDMYPUERHCNI-WDSOQIARSA-N 2 1 295.430 3.197 20 0 CGADMP CCc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000295971251 372978851 /nfs/dbraw/zinc/97/88/51/372978851.db2.gz NXYZUCQYCQKYHI-FUDCBSFHSA-N 2 1 262.397 3.118 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC000296084048 373016699 /nfs/dbraw/zinc/01/66/99/373016699.db2.gz STGYWIMVVKNCGE-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000172851240 373048852 /nfs/dbraw/zinc/04/88/52/373048852.db2.gz RSYABDRHAJTAMU-STQMWFEESA-N 2 1 298.833 3.436 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCc2c(F)cccc2Cl)CC[N@H+]1C ZINC000172851240 373048856 /nfs/dbraw/zinc/04/88/56/373048856.db2.gz RSYABDRHAJTAMU-STQMWFEESA-N 2 1 298.833 3.436 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCc2c(F)cccc2Cl)CC[NH+]1C ZINC000172851240 373048859 /nfs/dbraw/zinc/04/88/59/373048859.db2.gz RSYABDRHAJTAMU-STQMWFEESA-N 2 1 298.833 3.436 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2c(F)cccc2Cl)CC[NH+]1C ZINC000172851240 373048860 /nfs/dbraw/zinc/04/88/60/373048860.db2.gz RSYABDRHAJTAMU-STQMWFEESA-N 2 1 298.833 3.436 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCSc1ccccc1Cl ZINC000442777557 373077006 /nfs/dbraw/zinc/07/70/06/373077006.db2.gz DHRWKDOWRWGWOO-OLZOCXBDSA-N 2 1 298.883 3.491 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000296287391 373079461 /nfs/dbraw/zinc/07/94/61/373079461.db2.gz FMQCGKPKQJXTDU-UHFFFAOYSA-N 2 1 266.454 3.411 20 0 CGADMP CC[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000442920588 373128618 /nfs/dbraw/zinc/12/86/18/373128618.db2.gz HDMHGIPNJXKQEW-CVEARBPZSA-N 2 1 260.425 3.241 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000443055256 373146737 /nfs/dbraw/zinc/14/67/37/373146737.db2.gz BABBVPJYWRSYNX-CYBMUJFWSA-N 2 1 298.883 3.493 20 0 CGADMP CC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000444615266 373210835 /nfs/dbraw/zinc/21/08/35/373210835.db2.gz YYJNDHABTNXCBN-INIZCTEOSA-N 2 1 252.446 3.375 20 0 CGADMP c1cc2cc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2c[nH+]1 ZINC000296665385 373213347 /nfs/dbraw/zinc/21/33/47/373213347.db2.gz XZELEZUDJSXPBW-SJORKVTESA-N 2 1 267.376 3.274 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCc2ccccc2C1 ZINC000444626383 373213439 /nfs/dbraw/zinc/21/34/39/373213439.db2.gz TUIOZQKWIIWPGQ-IBGZPJMESA-N 2 1 286.463 3.352 20 0 CGADMP Cc1cnccc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000296599291 373189306 /nfs/dbraw/zinc/18/93/06/373189306.db2.gz YHRYRCVOEFZCCF-IYBDPMFKSA-N 2 1 289.467 3.238 20 0 CGADMP CCc1ccccc1CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000444695711 373240567 /nfs/dbraw/zinc/24/05/67/373240567.db2.gz SXERFKCWXHCLGF-SFHVURJKSA-N 2 1 274.452 3.208 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000298431189 373325389 /nfs/dbraw/zinc/32/53/89/373325389.db2.gz MZXMEJPOLKEKAU-QGZVFWFLSA-N 2 1 269.392 3.094 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000353633810 220208463 /nfs/dbraw/zinc/20/84/63/220208463.db2.gz UFQLXCYVAFUZNU-SFHVURJKSA-N 2 1 295.430 3.431 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000300243228 373622402 /nfs/dbraw/zinc/62/24/02/373622402.db2.gz KVVJGHHEBWEBCL-HZPDHXFCSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000300243228 373622405 /nfs/dbraw/zinc/62/24/05/373622405.db2.gz KVVJGHHEBWEBCL-HZPDHXFCSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(NCc2cccc(C[NH+]3CCCC3)c2)nc(C)[nH+]1 ZINC000301107834 373663230 /nfs/dbraw/zinc/66/32/30/373663230.db2.gz TUCCZCNWVRBKRT-UHFFFAOYSA-N 2 1 296.418 3.301 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000178040913 373736577 /nfs/dbraw/zinc/73/65/77/373736577.db2.gz MXVVVCFJGBXHHM-OWCLPIDISA-N 2 1 294.439 3.128 20 0 CGADMP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)c2ccccc2[nH+]1 ZINC000301348045 373754616 /nfs/dbraw/zinc/75/46/16/373754616.db2.gz KLALUSQUWQHIRQ-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2cc(F)ccc21 ZINC000301358416 373758710 /nfs/dbraw/zinc/75/87/10/373758710.db2.gz NWWYEHJABZUDCD-CYBMUJFWSA-N 2 1 287.382 3.152 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCC2)[C@H](C)C1 ZINC000449485935 373776389 /nfs/dbraw/zinc/77/63/89/373776389.db2.gz PHVRGNCGNQIEDB-HIFRSBDPSA-N 2 1 252.446 3.133 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CCCC2)[C@H](C)C1 ZINC000178508903 373786089 /nfs/dbraw/zinc/78/60/89/373786089.db2.gz ONICZOJZDSSXPI-AEFFLSMTSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179174382 373844905 /nfs/dbraw/zinc/84/49/05/373844905.db2.gz YJPUXDPZKJOCKH-MJGOQNOKSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179174382 373844908 /nfs/dbraw/zinc/84/49/08/373844908.db2.gz YJPUXDPZKJOCKH-MJGOQNOKSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179174382 373844912 /nfs/dbraw/zinc/84/49/12/373844912.db2.gz YJPUXDPZKJOCKH-MJGOQNOKSA-N 2 1 284.447 3.444 20 0 CGADMP Cc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000302283904 373847870 /nfs/dbraw/zinc/84/78/70/373847870.db2.gz JTJAZXBIBMDJJP-CQSZACIVSA-N 2 1 261.413 3.314 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[NH+](C)C ZINC000302704155 373933751 /nfs/dbraw/zinc/93/37/51/373933751.db2.gz WLYNBSDOQHTXGK-FZKCQIBNSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(F)(F)C2)C[C@@H]1C ZINC000450466231 374149150 /nfs/dbraw/zinc/14/91/50/374149150.db2.gz IGOBIJKIEPFSMC-MJBXVCDLSA-N 2 1 274.399 3.226 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC/C=C/c2ccccc2)C1 ZINC000450472564 374153124 /nfs/dbraw/zinc/15/31/24/374153124.db2.gz LTPNHLBILLPFSA-JGZYNSJSSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450472564 374153129 /nfs/dbraw/zinc/15/31/29/374153129.db2.gz LTPNHLBILLPFSA-JGZYNSJSSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450472564 374153134 /nfs/dbraw/zinc/15/31/34/374153134.db2.gz LTPNHLBILLPFSA-JGZYNSJSSA-N 2 1 272.436 3.364 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2CCCC2)CC[N@H+]1C ZINC000181688569 374156237 /nfs/dbraw/zinc/15/62/37/374156237.db2.gz FYACOTFOPBUABC-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000308452348 374167486 /nfs/dbraw/zinc/16/74/86/374167486.db2.gz GZUIGCLRGQEKPL-CYBMUJFWSA-N 2 1 268.832 3.201 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000308452348 374167493 /nfs/dbraw/zinc/16/74/93/374167493.db2.gz GZUIGCLRGQEKPL-CYBMUJFWSA-N 2 1 268.832 3.201 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000182028054 374206735 /nfs/dbraw/zinc/20/67/35/374206735.db2.gz GUVHWQSNDRLVHW-RTBURBONSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000182028054 374206742 /nfs/dbraw/zinc/20/67/42/374206742.db2.gz GUVHWQSNDRLVHW-RTBURBONSA-N 2 1 286.463 3.344 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182042282 374209358 /nfs/dbraw/zinc/20/93/58/374209358.db2.gz DFRLLCYMQKUSOY-PKOBYXMFSA-N 2 1 286.463 3.283 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccccc1F ZINC000310763150 374223281 /nfs/dbraw/zinc/22/32/81/374223281.db2.gz NBTMEOZAURISQH-IUODEOHRSA-N 2 1 252.377 3.064 20 0 CGADMP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccc1F ZINC000310763152 374224080 /nfs/dbraw/zinc/22/40/80/374224080.db2.gz NBTMEOZAURISQH-WFASDCNBSA-N 2 1 252.377 3.064 20 0 CGADMP Cc1[nH+]ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000311062528 374230582 /nfs/dbraw/zinc/23/05/82/374230582.db2.gz SSSNTLGCTVORRJ-VXGBXAGGSA-N 2 1 265.788 3.082 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000311135994 374233408 /nfs/dbraw/zinc/23/34/08/374233408.db2.gz FAADBQCLLCSKCV-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000314009639 374311118 /nfs/dbraw/zinc/31/11/18/374311118.db2.gz NKICYOADTIMDNQ-CQSZACIVSA-N 2 1 286.419 3.136 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461597 541920301 /nfs/dbraw/zinc/92/03/01/541920301.db2.gz VLKYVGMACWXQOG-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461597 541920305 /nfs/dbraw/zinc/92/03/05/541920305.db2.gz VLKYVGMACWXQOG-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461597 541920310 /nfs/dbraw/zinc/92/03/10/541920310.db2.gz VLKYVGMACWXQOG-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322915890 374354642 /nfs/dbraw/zinc/35/46/42/374354642.db2.gz KSGPMMRFLYVVBL-WZYMTQMTSA-N 2 1 288.435 3.279 20 0 CGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322915890 374354648 /nfs/dbraw/zinc/35/46/48/374354648.db2.gz KSGPMMRFLYVVBL-WZYMTQMTSA-N 2 1 288.435 3.279 20 0 CGADMP CCC1([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000453299651 374401743 /nfs/dbraw/zinc/40/17/43/374401743.db2.gz VIVMLOQTFCZTBX-WBVHZDCISA-N 2 1 272.436 3.429 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C12CCCC2 ZINC000085680367 541937481 /nfs/dbraw/zinc/93/74/81/541937481.db2.gz MQBXJOMUPJFMGI-YESZJQIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453373143 374458780 /nfs/dbraw/zinc/45/87/80/374458780.db2.gz WTQAEMDWTQTFNI-CCNLRDMRSA-N 2 1 287.451 3.008 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCC12CCC2)C1CC1 ZINC000453416512 374474616 /nfs/dbraw/zinc/47/46/16/374474616.db2.gz XOWPYYWPGMHHEY-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC/C=C/CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000184681164 374550401 /nfs/dbraw/zinc/55/04/01/374550401.db2.gz IPANNRDBMFBGAW-GILVVUIESA-N 2 1 262.441 3.291 20 0 CGADMP CC/C=C/CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000184681164 374550406 /nfs/dbraw/zinc/55/04/06/374550406.db2.gz IPANNRDBMFBGAW-GILVVUIESA-N 2 1 262.441 3.291 20 0 CGADMP CC/C=C/CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184681164 374550412 /nfs/dbraw/zinc/55/04/12/374550412.db2.gz IPANNRDBMFBGAW-GILVVUIESA-N 2 1 262.441 3.291 20 0 CGADMP CC[C@H](C)C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091796090 541969751 /nfs/dbraw/zinc/96/97/51/541969751.db2.gz IBLQEXMRSHNDLA-HNNXBMFYSA-N 2 1 278.440 3.105 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000091661002 541967823 /nfs/dbraw/zinc/96/78/23/541967823.db2.gz LVCDKFNIZZIQBD-KRWDZBQOSA-N 2 1 287.451 3.313 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccnc1 ZINC000185346128 374642481 /nfs/dbraw/zinc/64/24/81/374642481.db2.gz AURNSJJISCMQLL-WMLDXEAASA-N 2 1 286.423 3.354 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000186187175 374809947 /nfs/dbraw/zinc/80/99/47/374809947.db2.gz OZRCJDGEUUYADB-XQQFMLRXSA-N 2 1 282.453 3.280 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000186201254 374814209 /nfs/dbraw/zinc/81/42/09/374814209.db2.gz XKZYJXHIYXCYOW-LBPRGKRZSA-N 2 1 282.453 3.280 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000094357978 541985976 /nfs/dbraw/zinc/98/59/76/541985976.db2.gz VVCDKLQDTAZVEP-BBRMVZONSA-N 2 1 258.409 3.136 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](CC1CCC(F)(F)CC1)CC2 ZINC000334559364 374858036 /nfs/dbraw/zinc/85/80/36/374858036.db2.gz BJYCABVEMQCQNV-UHFFFAOYSA-N 2 1 286.410 3.372 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](CC1CCC(F)(F)CC1)CC2 ZINC000334559364 374858042 /nfs/dbraw/zinc/85/80/42/374858042.db2.gz BJYCABVEMQCQNV-UHFFFAOYSA-N 2 1 286.410 3.372 20 0 CGADMP Clc1cccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1Cl ZINC000334647428 374938636 /nfs/dbraw/zinc/93/86/36/374938636.db2.gz MZMHGQBOJFDQOL-JTQLQIEISA-N 2 1 296.201 3.364 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469992667 374994464 /nfs/dbraw/zinc/99/44/64/374994464.db2.gz MSJURQUUUOMIDF-GDBMZVCRSA-N 2 1 252.446 3.134 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000187791611 375095337 /nfs/dbraw/zinc/09/53/37/375095337.db2.gz DIVUBBBUVYWHOA-BHIYHBOVSA-N 2 1 286.463 3.428 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC1CCCCC1 ZINC000483247609 375178525 /nfs/dbraw/zinc/17/85/25/375178525.db2.gz NWHJITPXGCHACU-KURKYZTESA-N 2 1 294.483 3.140 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000474628711 375123017 /nfs/dbraw/zinc/12/30/17/375123017.db2.gz KWKSBWMBGYBAMS-AWEZNQCLSA-N 2 1 278.415 3.210 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000487278481 375217557 /nfs/dbraw/zinc/21/75/57/375217557.db2.gz OACZTPXJSLIHLN-KKUMJFAQSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@H](N(C)Cc2cc(F)ccc2Cl)CC[N@H+]1C ZINC000189069435 375317555 /nfs/dbraw/zinc/31/75/55/375317555.db2.gz RCJWEPFSMLZAKU-BXUZGUMPSA-N 2 1 284.806 3.394 20 0 CGADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000335568182 375331358 /nfs/dbraw/zinc/33/13/58/375331358.db2.gz OUNFUWVRZVPVOE-VIFPVBQESA-N 2 1 273.207 3.396 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)C[NH+](C)C ZINC000491592739 375335004 /nfs/dbraw/zinc/33/50/04/375335004.db2.gz YJSBBAXWUZRVFR-ZDUSSCGKSA-N 2 1 290.382 3.373 20 0 CGADMP CC(C)OC1CC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000189519579 375402284 /nfs/dbraw/zinc/40/22/84/375402284.db2.gz WWKRKPUPIZQCIG-KLAILNCOSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(OC(C)C)C2)c1 ZINC000189533352 375405425 /nfs/dbraw/zinc/40/54/25/375405425.db2.gz CJPAEIOKFLDVTJ-UHFFFAOYSA-N 2 1 290.451 3.184 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000335842053 375476144 /nfs/dbraw/zinc/47/61/44/375476144.db2.gz RWZCOSWAAKDKPZ-AAEUAGOBSA-N 2 1 260.406 3.070 20 0 CGADMP c1nc([C@@H]2CCC[N@H+](CC3CCC3)C2)n2c1CCCC2 ZINC000336142811 375722100 /nfs/dbraw/zinc/72/21/00/375722100.db2.gz IFSTVSIFHHFPJP-OAHLLOKOSA-N 2 1 273.424 3.199 20 0 CGADMP C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123928892 542029600 /nfs/dbraw/zinc/02/96/00/542029600.db2.gz SWLLRLQAXASWKW-WMLDXEAASA-N 2 1 272.436 3.343 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000507458998 375704344 /nfs/dbraw/zinc/70/43/44/375704344.db2.gz FEDRHWLZFFYDTB-JKSUJKDBSA-N 2 1 289.467 3.417 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000507948455 375730271 /nfs/dbraw/zinc/73/02/71/375730271.db2.gz BNCFCUPWYVVXGE-BZUAXINKSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000507948455 375730275 /nfs/dbraw/zinc/73/02/75/375730275.db2.gz BNCFCUPWYVVXGE-BZUAXINKSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000508564792 375750935 /nfs/dbraw/zinc/75/09/35/375750935.db2.gz AVHHITZPQAGRJU-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000508564792 375750937 /nfs/dbraw/zinc/75/09/37/375750937.db2.gz AVHHITZPQAGRJU-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000508564792 375750946 /nfs/dbraw/zinc/75/09/46/375750946.db2.gz AVHHITZPQAGRJU-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP Cc1cccc(C)c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193026145 375816994 /nfs/dbraw/zinc/81/69/94/375816994.db2.gz ZOOGKRZGGLDMGN-ALOPSCKCSA-N 2 1 272.436 3.061 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000336611772 375873218 /nfs/dbraw/zinc/87/32/18/375873218.db2.gz KLKWJQZJFWJSLJ-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000336611772 375873222 /nfs/dbraw/zinc/87/32/22/375873222.db2.gz KLKWJQZJFWJSLJ-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000520648798 375869779 /nfs/dbraw/zinc/86/97/79/375869779.db2.gz LBRGTBCNWHOQOJ-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261405 375963900 /nfs/dbraw/zinc/96/39/00/375963900.db2.gz GNPOMMUPXUUKAD-LRDDRELGSA-N 2 1 278.827 3.259 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCC=CO2)C1 ZINC000193809512 375924210 /nfs/dbraw/zinc/92/42/10/375924210.db2.gz JBWSFVQLESQHCP-KURKYZTESA-N 2 1 292.467 3.266 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000193809512 375924216 /nfs/dbraw/zinc/92/42/16/375924216.db2.gz JBWSFVQLESQHCP-KURKYZTESA-N 2 1 292.467 3.266 20 0 CGADMP C[C@@H](CC[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000193951484 375944297 /nfs/dbraw/zinc/94/42/97/375944297.db2.gz HRSYLXCPJTUJRF-JKSUJKDBSA-N 2 1 260.425 3.064 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2sc(C)nc2C)C[C@@H]1C ZINC000336802566 375950035 /nfs/dbraw/zinc/95/00/35/375950035.db2.gz VCGIHSWMLADYMY-FZMZJTMJSA-N 2 1 281.469 3.065 20 0 CGADMP C[N@@H+](C[C@H]1CCC2(CCCCC2)O1)C[C@H]1CCC[NH+](C)C1 ZINC000336845086 376007895 /nfs/dbraw/zinc/00/78/95/376007895.db2.gz PWMJSOXHBBUTAI-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C[C@H]1CCC2(CCCCC2)O1)C[C@H]1CCC[N@H+](C)C1 ZINC000336845086 376007899 /nfs/dbraw/zinc/00/78/99/376007899.db2.gz PWMJSOXHBBUTAI-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C[C@H]1CCC2(CCCCC2)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336845086 376007901 /nfs/dbraw/zinc/00/79/01/376007901.db2.gz PWMJSOXHBBUTAI-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169399 296238341 /nfs/dbraw/zinc/23/83/41/296238341.db2.gz HKLRRBLWERECIP-QWHCGFSZSA-N 2 1 266.816 3.462 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1 ZINC000537105591 376146696 /nfs/dbraw/zinc/14/66/96/376146696.db2.gz OCMKMSOEHSKUSV-DOTOQJQBSA-N 2 1 260.425 3.438 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969403 376155324 /nfs/dbraw/zinc/15/53/24/376155324.db2.gz VJLFLMJEMLEPAO-UONOGXRCSA-N 2 1 278.399 3.426 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217507476 376175332 /nfs/dbraw/zinc/17/53/32/376175332.db2.gz WVHZALPODIJLLG-RYUDHWBXSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217507476 376175338 /nfs/dbraw/zinc/17/53/38/376175338.db2.gz WVHZALPODIJLLG-RYUDHWBXSA-N 2 1 297.240 3.181 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCc2ccc(F)cc21 ZINC000337268858 376180172 /nfs/dbraw/zinc/18/01/72/376180172.db2.gz LAJVPEFJQIXHRP-KRWDZBQOSA-N 2 1 276.399 3.231 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2ccc(F)cc21 ZINC000337268858 376180179 /nfs/dbraw/zinc/18/01/79/376180179.db2.gz LAJVPEFJQIXHRP-KRWDZBQOSA-N 2 1 276.399 3.231 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000337189443 376125751 /nfs/dbraw/zinc/12/57/51/376125751.db2.gz RNVYWFUAXQXNQL-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000337189443 376125757 /nfs/dbraw/zinc/12/57/57/376125757.db2.gz RNVYWFUAXQXNQL-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000337189443 376125766 /nfs/dbraw/zinc/12/57/66/376125766.db2.gz RNVYWFUAXQXNQL-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000337189443 376125773 /nfs/dbraw/zinc/12/57/73/376125773.db2.gz RNVYWFUAXQXNQL-KXBFYZLASA-N 2 1 297.446 3.397 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000337347609 376214717 /nfs/dbraw/zinc/21/47/17/376214717.db2.gz XSJKSHXQJPPWEH-HZPDHXFCSA-N 2 1 270.461 3.044 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337375594 376215869 /nfs/dbraw/zinc/21/58/69/376215869.db2.gz ADUFQTPDTOEGLM-XHSDSOJGSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000337389738 376217857 /nfs/dbraw/zinc/21/78/57/376217857.db2.gz MYAZMJVAKMIINI-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000337389738 376217863 /nfs/dbraw/zinc/21/78/63/376217863.db2.gz MYAZMJVAKMIINI-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221924541 376226263 /nfs/dbraw/zinc/22/62/63/376226263.db2.gz GZTHIHGWSWGXJS-CQSZACIVSA-N 2 1 264.413 3.076 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221924541 376226268 /nfs/dbraw/zinc/22/62/68/376226268.db2.gz GZTHIHGWSWGXJS-CQSZACIVSA-N 2 1 264.413 3.076 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000224416770 376280729 /nfs/dbraw/zinc/28/07/29/376280729.db2.gz GXABWGVEIOMUCU-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000224416770 376280734 /nfs/dbraw/zinc/28/07/34/376280734.db2.gz GXABWGVEIOMUCU-HZPDHXFCSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000226571505 376365094 /nfs/dbraw/zinc/36/50/94/376365094.db2.gz LAEJBKBIACCVOW-ULQDDVLXSA-N 2 1 282.472 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000226918290 376375252 /nfs/dbraw/zinc/37/52/52/376375252.db2.gz IXLCQNZLBUFULZ-MAUKXSAKSA-N 2 1 272.436 3.378 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC000228477391 376438631 /nfs/dbraw/zinc/43/86/31/376438631.db2.gz ONOULKJNOXWILT-FIXISWKDSA-N 2 1 282.790 3.038 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]21 ZINC000228477391 376438632 /nfs/dbraw/zinc/43/86/32/376438632.db2.gz ONOULKJNOXWILT-FIXISWKDSA-N 2 1 282.790 3.038 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000541773174 376480594 /nfs/dbraw/zinc/48/05/94/376480594.db2.gz QJTNKDOIAZSCQR-KXQLTZBTSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000541773174 376480601 /nfs/dbraw/zinc/48/06/01/376480601.db2.gz QJTNKDOIAZSCQR-KXQLTZBTSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000541773174 376480608 /nfs/dbraw/zinc/48/06/08/376480608.db2.gz QJTNKDOIAZSCQR-KXQLTZBTSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000541773174 376480627 /nfs/dbraw/zinc/48/06/27/376480627.db2.gz QJTNKDOIAZSCQR-KXQLTZBTSA-N 2 1 294.389 3.252 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000229574303 376464444 /nfs/dbraw/zinc/46/44/44/376464444.db2.gz OEAZFAKKNUNPBW-ZBFHGGJFSA-N 2 1 278.415 3.077 20 0 CGADMP CC(C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000542151833 376512028 /nfs/dbraw/zinc/51/20/28/376512028.db2.gz RPHPVIXVMKYJNO-CYBMUJFWSA-N 2 1 266.454 3.142 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000541909005 376492972 /nfs/dbraw/zinc/49/29/72/376492972.db2.gz JONDVIGELCGHBB-SJLPKXTDSA-N 2 1 274.452 3.139 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000338777852 376527879 /nfs/dbraw/zinc/52/78/79/376527879.db2.gz HVVCEDIWXQSXJH-CYBMUJFWSA-N 2 1 275.440 3.386 20 0 CGADMP CCC(CC)(CC)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000542949739 376594609 /nfs/dbraw/zinc/59/46/09/376594609.db2.gz SNSFRUPBQXTGMX-UHFFFAOYSA-N 2 1 254.462 3.476 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233516486 376597479 /nfs/dbraw/zinc/59/74/79/376597479.db2.gz ONJFPVVHLYCPLE-SJLPKXTDSA-N 2 1 274.452 3.358 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000543057481 376602971 /nfs/dbraw/zinc/60/29/71/376602971.db2.gz IDNXDZJAXBZKEO-ZDUSSCGKSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000543057481 376602973 /nfs/dbraw/zinc/60/29/73/376602973.db2.gz IDNXDZJAXBZKEO-ZDUSSCGKSA-N 2 1 266.454 3.095 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000542840408 376585002 /nfs/dbraw/zinc/58/50/02/376585002.db2.gz HXFYOCCENPWEAF-CVEARBPZSA-N 2 1 260.425 3.064 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCCC(C)(C)C3)[C@H]2C1 ZINC000543705246 376668649 /nfs/dbraw/zinc/66/86/49/376668649.db2.gz QRDONWNKUDGEQA-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCCC(C)(C)C3)[C@H]2C1 ZINC000543705246 376668651 /nfs/dbraw/zinc/66/86/51/376668651.db2.gz QRDONWNKUDGEQA-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CCCC(C)(C)C3)[C@H]2C1 ZINC000543705246 376668655 /nfs/dbraw/zinc/66/86/55/376668655.db2.gz QRDONWNKUDGEQA-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)[C@H]2C1 ZINC000543705246 376668656 /nfs/dbraw/zinc/66/86/56/376668656.db2.gz QRDONWNKUDGEQA-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP CCN1CCC([N@@H+](C)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000543398610 376635753 /nfs/dbraw/zinc/63/57/53/376635753.db2.gz VICINWPAYQPBBV-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000543398610 376635759 /nfs/dbraw/zinc/63/57/59/376635759.db2.gz VICINWPAYQPBBV-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000543398610 376635764 /nfs/dbraw/zinc/63/57/64/376635764.db2.gz VICINWPAYQPBBV-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000235576055 376647171 /nfs/dbraw/zinc/64/71/71/376647171.db2.gz MMQWTSCDVQSNJP-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000235576055 376647177 /nfs/dbraw/zinc/64/71/77/376647177.db2.gz MMQWTSCDVQSNJP-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCCc2ccsc2)CC1 ZINC000543960310 376690388 /nfs/dbraw/zinc/69/03/88/376690388.db2.gz LFRUEITZYTZINN-UHFFFAOYSA-N 2 1 280.481 3.487 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000544406836 376731335 /nfs/dbraw/zinc/73/13/35/376731335.db2.gz IVKXTCPJPMPWSK-MRXNPFEDSA-N 2 1 262.441 3.187 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000544406836 376731342 /nfs/dbraw/zinc/73/13/42/376731342.db2.gz IVKXTCPJPMPWSK-MRXNPFEDSA-N 2 1 262.441 3.187 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435905 376757094 /nfs/dbraw/zinc/75/70/94/376757094.db2.gz GKBFOROOKTULAH-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339435905 376757104 /nfs/dbraw/zinc/75/71/04/376757104.db2.gz GKBFOROOKTULAH-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339435905 376757112 /nfs/dbraw/zinc/75/71/12/376757112.db2.gz GKBFOROOKTULAH-WMZOPIPTSA-N 2 1 272.436 3.474 20 0 CGADMP CCCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000544415819 376733693 /nfs/dbraw/zinc/73/36/93/376733693.db2.gz UOWUIVPOQJLZTC-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CCOc3ccccc32)CCCC1 ZINC000159036816 542146271 /nfs/dbraw/zinc/14/62/71/542146271.db2.gz AFIDZVIRKUMEDH-HNNXBMFYSA-N 2 1 288.435 3.017 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245579364 376861067 /nfs/dbraw/zinc/86/10/67/376861067.db2.gz GJZNPAYWZIRZRA-YQYZPQCESA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245579364 376861080 /nfs/dbraw/zinc/86/10/80/376861080.db2.gz GJZNPAYWZIRZRA-YQYZPQCESA-N 2 1 272.436 3.382 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690975 376880705 /nfs/dbraw/zinc/88/07/05/376880705.db2.gz BLKLOVAGGATWFR-UONOGXRCSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690975 376880709 /nfs/dbraw/zinc/88/07/09/376880709.db2.gz BLKLOVAGGATWFR-UONOGXRCSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690975 376880718 /nfs/dbraw/zinc/88/07/18/376880718.db2.gz BLKLOVAGGATWFR-UONOGXRCSA-N 2 1 266.454 3.219 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245692499 376881574 /nfs/dbraw/zinc/88/15/74/376881574.db2.gz BTEBWCKARRCSRR-BBRMVZONSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245692499 376881580 /nfs/dbraw/zinc/88/15/80/376881580.db2.gz BTEBWCKARRCSRR-BBRMVZONSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245692499 376881592 /nfs/dbraw/zinc/88/15/92/376881592.db2.gz BTEBWCKARRCSRR-BBRMVZONSA-N 2 1 264.388 3.049 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245692499 376881595 /nfs/dbraw/zinc/88/15/95/376881595.db2.gz BTEBWCKARRCSRR-BBRMVZONSA-N 2 1 264.388 3.049 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000359276274 284605246 /nfs/dbraw/zinc/60/52/46/284605246.db2.gz DBZIDIKDAILRGU-CQSZACIVSA-N 2 1 295.446 3.274 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000557794968 376957127 /nfs/dbraw/zinc/95/71/27/376957127.db2.gz FSIJRYVXJLTYJO-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CCO1 ZINC000246061194 376957892 /nfs/dbraw/zinc/95/78/92/376957892.db2.gz ZCJWRQOVSRZCSR-BGTYHANMSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCC23CCCC3)CCCO1 ZINC000340369344 377023059 /nfs/dbraw/zinc/02/30/59/377023059.db2.gz HBAAJFLWTPQLPJ-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC23CCCC3)CCCO1 ZINC000340369344 377023065 /nfs/dbraw/zinc/02/30/65/377023065.db2.gz HBAAJFLWTPQLPJ-SJORKVTESA-N 2 1 294.483 3.190 20 0 CGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479521 377039267 /nfs/dbraw/zinc/03/92/67/377039267.db2.gz OUKXBYZYVIQATM-CZUORRHYSA-N 2 1 296.817 3.395 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000558220324 376986646 /nfs/dbraw/zinc/98/66/46/376986646.db2.gz NUAXHXJWAORYPK-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000558220324 376986650 /nfs/dbraw/zinc/98/66/50/376986650.db2.gz NUAXHXJWAORYPK-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(CC)o2)C1 ZINC000246890906 377112043 /nfs/dbraw/zinc/11/20/43/377112043.db2.gz FKIRXYZRDPZAPH-KGLIPLIRSA-N 2 1 264.413 3.225 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(CC)o2)C1 ZINC000246890906 377112045 /nfs/dbraw/zinc/11/20/45/377112045.db2.gz FKIRXYZRDPZAPH-KGLIPLIRSA-N 2 1 264.413 3.225 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000246931342 377122652 /nfs/dbraw/zinc/12/26/52/377122652.db2.gz HCWFXIGGCOLWTG-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CCn1cc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000246966880 377128824 /nfs/dbraw/zinc/12/88/24/377128824.db2.gz IWNDLBVKRGWIKP-CVEARBPZSA-N 2 1 292.471 3.208 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C12CCCC2 ZINC000246981990 377130907 /nfs/dbraw/zinc/13/09/07/377130907.db2.gz IXFVDDRMBXFCHH-LTIDMASMSA-N 2 1 294.483 3.044 20 0 CGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000247020850 377141749 /nfs/dbraw/zinc/14/17/49/377141749.db2.gz LSSWJVDOTSGKOR-XWTMOSNGSA-N 2 1 297.531 3.061 20 0 CGADMP CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247081946 377155172 /nfs/dbraw/zinc/15/51/72/377155172.db2.gz QLYGJKFYNIAIML-DOTOQJQBSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247081946 377155178 /nfs/dbraw/zinc/15/51/78/377155178.db2.gz QLYGJKFYNIAIML-DOTOQJQBSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247081946 377155185 /nfs/dbraw/zinc/15/51/85/377155185.db2.gz QLYGJKFYNIAIML-DOTOQJQBSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247081946 377155193 /nfs/dbraw/zinc/15/51/93/377155193.db2.gz QLYGJKFYNIAIML-DOTOQJQBSA-N 2 1 290.451 3.247 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247130789 377164390 /nfs/dbraw/zinc/16/43/90/377164390.db2.gz ASTRFRKPQDDTJL-HLLBOEOZSA-N 2 1 260.425 3.171 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247183496 377172459 /nfs/dbraw/zinc/17/24/59/377172459.db2.gz UXUKUIOPRARSND-BBRMVZONSA-N 2 1 264.388 3.160 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247183496 377172463 /nfs/dbraw/zinc/17/24/63/377172463.db2.gz UXUKUIOPRARSND-BBRMVZONSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000247208869 377177611 /nfs/dbraw/zinc/17/76/11/377177611.db2.gz VPSOFGHLJSQZCO-BQFCYCMXSA-N 2 1 290.451 3.082 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000247226239 377180386 /nfs/dbraw/zinc/18/03/86/377180386.db2.gz WCOIYCSQQWIHIA-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000561267661 377215898 /nfs/dbraw/zinc/21/58/98/377215898.db2.gz QMVGGKJYBNPOAQ-GHMZBOCLSA-N 2 1 261.394 3.226 20 0 CGADMP CCCC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000561771502 377244742 /nfs/dbraw/zinc/24/47/42/377244742.db2.gz FRKKOGDCPGATER-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248006816 377255482 /nfs/dbraw/zinc/25/54/82/377255482.db2.gz KXKWLHDPUULFTN-HACGYAERSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248006816 377255493 /nfs/dbraw/zinc/25/54/93/377255493.db2.gz KXKWLHDPUULFTN-HACGYAERSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248006816 377255504 /nfs/dbraw/zinc/25/55/04/377255504.db2.gz KXKWLHDPUULFTN-HACGYAERSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248006816 377255518 /nfs/dbraw/zinc/25/55/18/377255518.db2.gz KXKWLHDPUULFTN-HACGYAERSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248006816 377255522 /nfs/dbraw/zinc/25/55/22/377255522.db2.gz KXKWLHDPUULFTN-HACGYAERSA-N 2 1 294.389 3.442 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000562519231 377322050 /nfs/dbraw/zinc/32/20/50/377322050.db2.gz AQXNLKCZLQYCML-MEWRGDBZSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](C)c1ccccc1 ZINC000161592921 542159926 /nfs/dbraw/zinc/15/99/26/542159926.db2.gz KWODFYLHHKAMDQ-CYGHRXIMSA-N 2 1 272.436 3.395 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000161634135 542159887 /nfs/dbraw/zinc/15/98/87/542159887.db2.gz MCJSKRJSNUEATJ-QGZVFWFLSA-N 2 1 288.435 3.364 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000161623359 542160290 /nfs/dbraw/zinc/16/02/90/542160290.db2.gz SNZOURXSZJVUDV-ZMSDIMECSA-N 2 1 274.383 3.029 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580167 377354131 /nfs/dbraw/zinc/35/41/31/377354131.db2.gz OIRRCODOLCBIPR-SJLPKXTDSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580167 377354138 /nfs/dbraw/zinc/35/41/38/377354138.db2.gz OIRRCODOLCBIPR-SJLPKXTDSA-N 2 1 274.452 3.139 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580167 377354151 /nfs/dbraw/zinc/35/41/51/377354151.db2.gz OIRRCODOLCBIPR-SJLPKXTDSA-N 2 1 274.452 3.139 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000249038626 377449337 /nfs/dbraw/zinc/44/93/37/377449337.db2.gz CSMMKGKGCZODFK-LUKYLMHMSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249038626 377449343 /nfs/dbraw/zinc/44/93/43/377449343.db2.gz CSMMKGKGCZODFK-LUKYLMHMSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249038626 377449345 /nfs/dbraw/zinc/44/93/45/377449345.db2.gz CSMMKGKGCZODFK-LUKYLMHMSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249038626 377449353 /nfs/dbraw/zinc/44/93/53/377449353.db2.gz CSMMKGKGCZODFK-LUKYLMHMSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249038626 377449359 /nfs/dbraw/zinc/44/93/59/377449359.db2.gz CSMMKGKGCZODFK-LUKYLMHMSA-N 2 1 264.457 3.393 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000563137726 377407780 /nfs/dbraw/zinc/40/77/80/377407780.db2.gz LMQDXVVBJFBOJC-RTBURBONSA-N 2 1 286.463 3.249 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248874184 377417811 /nfs/dbraw/zinc/41/78/11/377417811.db2.gz IUZDAWOOUDHXCN-BLNMRFBMSA-N 2 1 250.430 3.028 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341248280 377464163 /nfs/dbraw/zinc/46/41/63/377464163.db2.gz XLWITBBVQKYQLU-DZKIICNBSA-N 2 1 292.492 3.412 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341248280 377464165 /nfs/dbraw/zinc/46/41/65/377464165.db2.gz XLWITBBVQKYQLU-DZKIICNBSA-N 2 1 292.492 3.412 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000249142124 377469093 /nfs/dbraw/zinc/46/90/93/377469093.db2.gz WEZUGCHLVWOYDE-QRVBRYPASA-N 2 1 286.463 3.329 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093515535 249038159 /nfs/dbraw/zinc/03/81/59/249038159.db2.gz TXJFDTJTCDXYOB-WMZOPIPTSA-N 3 1 295.515 3.151 20 0 CGADMP CC(C)CC[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000094848952 249043612 /nfs/dbraw/zinc/04/36/12/249043612.db2.gz LLFMYMJXUSGMHD-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP c1[nH]c2ccccc2c1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166540587 542175381 /nfs/dbraw/zinc/17/53/81/542175381.db2.gz QWKSEMJFIMOGEQ-IAGOWNOFSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000166694494 542175905 /nfs/dbraw/zinc/17/59/05/542175905.db2.gz NNRKQIOCZRNHGM-IAGOWNOFSA-N 2 1 297.446 3.235 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166616806 542174902 /nfs/dbraw/zinc/17/49/02/542174902.db2.gz ATTCAZNUUWFJLN-GVDBMIGSSA-N 2 1 287.451 3.304 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166616806 542174904 /nfs/dbraw/zinc/17/49/04/542174904.db2.gz ATTCAZNUUWFJLN-GVDBMIGSSA-N 2 1 287.451 3.304 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249943395 377543108 /nfs/dbraw/zinc/54/31/08/377543108.db2.gz XHEUEPBTMWTJJY-YZDRTPDPSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H](C[NH3+])[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414931679 249123966 /nfs/dbraw/zinc/12/39/66/249123966.db2.gz RRHACUOKZDJQMQ-CDVVCGDMSA-N 2 1 296.414 3.216 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1C ZINC000313805043 249092975 /nfs/dbraw/zinc/09/29/75/249092975.db2.gz GXYGMXHKGQIEAF-OKZBNKHCSA-N 2 1 287.451 3.099 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)nc1C ZINC000314056241 249094763 /nfs/dbraw/zinc/09/47/63/249094763.db2.gz QPTHNYUFXPQPNZ-HOCLYGCPSA-N 2 1 275.440 3.099 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000469862991 249160083 /nfs/dbraw/zinc/16/00/83/249160083.db2.gz PKMKJWICOJNRFE-HUUCEWRRSA-N 2 1 288.435 3.177 20 0 CGADMP CCCC[N@@H+](CC)Cc1cccc(C[NH2+][C@@H](C)[C@H](C)O)c1 ZINC000573676364 377560550 /nfs/dbraw/zinc/56/05/50/377560550.db2.gz JFFVQUFRQXHKLO-HOTGVXAUSA-N 2 1 292.467 3.168 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C[C@H](C)O1 ZINC000573671797 377560795 /nfs/dbraw/zinc/56/07/95/377560795.db2.gz PGRCUKOTAZQZRZ-MUQADHOPSA-N 2 1 294.483 3.329 20 0 CGADMP CCC[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470021077 249166368 /nfs/dbraw/zinc/16/63/68/249166368.db2.gz PXLPDCGKTFQNFB-KSZLIROESA-N 2 1 272.436 3.397 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470021077 249166370 /nfs/dbraw/zinc/16/63/70/249166370.db2.gz PXLPDCGKTFQNFB-KSZLIROESA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000472477709 249167985 /nfs/dbraw/zinc/16/79/85/249167985.db2.gz QUDKKKPVUTTXRY-AEFFLSMTSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477709 249167988 /nfs/dbraw/zinc/16/79/88/249167988.db2.gz QUDKKKPVUTTXRY-AEFFLSMTSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477709 249167989 /nfs/dbraw/zinc/16/79/89/249167989.db2.gz QUDKKKPVUTTXRY-AEFFLSMTSA-N 2 1 286.463 3.454 20 0 CGADMP Fc1ccc2c(cc[nH+]c2NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000514603400 249182414 /nfs/dbraw/zinc/18/24/14/249182414.db2.gz LUOZQOATOVXNMQ-LBPRGKRZSA-N 2 1 273.355 3.176 20 0 CGADMP FC(F)(F)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250851005 377567261 /nfs/dbraw/zinc/56/72/61/377567261.db2.gz OFRLVPYSIXWXOK-CLRIEMFWSA-N 2 1 290.373 3.324 20 0 CGADMP FC(F)(F)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250851005 377567265 /nfs/dbraw/zinc/56/72/65/377567265.db2.gz OFRLVPYSIXWXOK-CLRIEMFWSA-N 2 1 290.373 3.324 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000518211173 249276774 /nfs/dbraw/zinc/27/67/74/249276774.db2.gz CQMLRTHFPSIGEG-GFCCVEGCSA-N 2 1 292.452 3.119 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000518211173 249276776 /nfs/dbraw/zinc/27/67/76/249276776.db2.gz CQMLRTHFPSIGEG-GFCCVEGCSA-N 2 1 292.452 3.119 20 0 CGADMP CC(C)Oc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000517123167 249257853 /nfs/dbraw/zinc/25/78/53/249257853.db2.gz XWGUBLWFZLYRDY-QAPCUYQASA-N 2 1 290.451 3.137 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000573911799 377593599 /nfs/dbraw/zinc/59/35/99/377593599.db2.gz DZQRROXKNMFZPY-JTQLQIEISA-N 2 1 258.768 3.129 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000251853222 377600253 /nfs/dbraw/zinc/60/02/53/377600253.db2.gz PESPZRFHXFGCNR-KNABHZPTSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251911016 377604806 /nfs/dbraw/zinc/60/48/06/377604806.db2.gz XEKIYBROZADAQJ-SUMWQHHRSA-N 2 1 254.377 3.009 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000252186231 377617619 /nfs/dbraw/zinc/61/76/19/377617619.db2.gz UIGUPOFCDBBEHJ-CQJMVSDSSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000252186231 377617626 /nfs/dbraw/zinc/61/76/26/377617626.db2.gz UIGUPOFCDBBEHJ-CQJMVSDSSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000252107637 377615168 /nfs/dbraw/zinc/61/51/68/377615168.db2.gz JDDRCMQVPAMKKD-NQMMUZQISA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000252107637 377615174 /nfs/dbraw/zinc/61/51/74/377615174.db2.gz JDDRCMQVPAMKKD-NQMMUZQISA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1CCCc1cncn1C ZINC000574168955 377630955 /nfs/dbraw/zinc/63/09/55/377630955.db2.gz ROVWLYMWVMSFCO-HNNXBMFYSA-N 2 1 263.429 3.253 20 0 CGADMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252838703 377667208 /nfs/dbraw/zinc/66/72/08/377667208.db2.gz ANSOGXUAMWMEAC-PSHZPRKYSA-N 2 1 280.362 3.085 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000574692670 377696000 /nfs/dbraw/zinc/69/60/00/377696000.db2.gz IHSGCIMTDBUFSI-HZPDHXFCSA-N 2 1 252.446 3.131 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253199663 377679721 /nfs/dbraw/zinc/67/97/21/377679721.db2.gz WOLWMBAXTNVAAY-XNRPHZJLSA-N 2 1 264.388 3.194 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000253353166 377684621 /nfs/dbraw/zinc/68/46/21/377684621.db2.gz SGGHYTHDNWXKCM-GUDVDZBRSA-N 2 1 284.447 3.453 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000254959526 377719332 /nfs/dbraw/zinc/71/93/32/377719332.db2.gz DKVAYCGGSZDOKW-IBWPDUFMSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000254959526 377719340 /nfs/dbraw/zinc/71/93/40/377719340.db2.gz DKVAYCGGSZDOKW-IBWPDUFMSA-N 2 1 272.436 3.364 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000574924477 377725614 /nfs/dbraw/zinc/72/56/14/377725614.db2.gz PCXLBTBUXRBXRN-ZIAGYGMSSA-N 2 1 263.429 3.252 20 0 CGADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000574924477 377725615 /nfs/dbraw/zinc/72/56/15/377725615.db2.gz PCXLBTBUXRBXRN-ZIAGYGMSSA-N 2 1 263.429 3.252 20 0 CGADMP C[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000255502484 377760996 /nfs/dbraw/zinc/76/09/96/377760996.db2.gz FAZKXDSLKXESDR-CRNKYXIYSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000255502484 377761002 /nfs/dbraw/zinc/76/10/02/377761002.db2.gz FAZKXDSLKXESDR-CRNKYXIYSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000255502484 377761007 /nfs/dbraw/zinc/76/10/07/377761007.db2.gz FAZKXDSLKXESDR-CRNKYXIYSA-N 2 1 250.430 3.003 20 0 CGADMP CCc1[nH+]c2ccccc2c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000575239119 377764763 /nfs/dbraw/zinc/76/47/63/377764763.db2.gz NZXCTVAFEZVWDG-GASCZTMLSA-N 2 1 295.430 3.103 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261569838 377818842 /nfs/dbraw/zinc/81/88/42/377818842.db2.gz KBLJPDMNLCBTEL-LSDHHAIUSA-N 2 1 266.816 3.462 20 0 CGADMP c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261630973 377828436 /nfs/dbraw/zinc/82/84/36/377828436.db2.gz CNLPRNWHKLNVFI-OQIJWPOYSA-N 2 1 284.447 3.397 20 0 CGADMP Cc1cccc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000342932220 377863821 /nfs/dbraw/zinc/86/38/21/377863821.db2.gz YJSJBMRDBGWDAY-FUHWJXTLSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000342932220 377863832 /nfs/dbraw/zinc/86/38/32/377863832.db2.gz YJSJBMRDBGWDAY-FUHWJXTLSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000342932220 377863840 /nfs/dbraw/zinc/86/38/40/377863840.db2.gz YJSJBMRDBGWDAY-FUHWJXTLSA-N 2 1 272.436 3.220 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000261941769 377871897 /nfs/dbraw/zinc/87/18/97/377871897.db2.gz DTEVYZFTAWYMLH-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000262458942 377898205 /nfs/dbraw/zinc/89/82/05/377898205.db2.gz IKKJYAFTULJTEZ-PMACEKPBSA-N 2 1 292.426 3.395 20 0 CGADMP CC[N@@H+](C[C@H](C)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000261994128 377876300 /nfs/dbraw/zinc/87/63/00/377876300.db2.gz SSIRUBKUGQTDGG-WMLDXEAASA-N 2 1 278.415 3.393 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261985317 377876717 /nfs/dbraw/zinc/87/67/17/377876717.db2.gz JRMXENBKVYKHII-QZTJIDSGSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262028304 377880435 /nfs/dbraw/zinc/88/04/35/377880435.db2.gz NSNBRVBRSHTTGY-LZLYRXPVSA-N 2 1 272.436 3.172 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000262042790 377882794 /nfs/dbraw/zinc/88/27/94/377882794.db2.gz BZVNZWKNOBOSQS-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@@]1(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)CC[NH2+]C1 ZINC000261731164 377847980 /nfs/dbraw/zinc/84/79/80/377847980.db2.gz HEVSBZGSKHTSIC-JKSUJKDBSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC[NH2+]C1 ZINC000261731164 377847984 /nfs/dbraw/zinc/84/79/84/377847984.db2.gz HEVSBZGSKHTSIC-JKSUJKDBSA-N 2 1 278.827 3.477 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261805654 377855913 /nfs/dbraw/zinc/85/59/13/377855913.db2.gz OKVJGCFDLTYECU-QGZVFWFLSA-N 2 1 272.392 3.166 20 0 CGADMP c1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccnc2c1 ZINC000575400977 377904656 /nfs/dbraw/zinc/90/46/56/377904656.db2.gz AUONZZYZSPCHIW-HOTGVXAUSA-N 2 1 295.430 3.056 20 0 CGADMP Cc1cccc2c1ccnc2NCCCC[N@H+](C)C1CC1 ZINC000575864445 377996830 /nfs/dbraw/zinc/99/68/30/377996830.db2.gz KVLFIQVOGLAKSP-UHFFFAOYSA-N 2 1 283.419 3.251 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCCCC[N@@H+](C)C1CC1 ZINC000575864445 377996836 /nfs/dbraw/zinc/99/68/36/377996836.db2.gz KVLFIQVOGLAKSP-UHFFFAOYSA-N 2 1 283.419 3.251 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCCCC[N@H+](C)C1CC1 ZINC000575864445 377996841 /nfs/dbraw/zinc/99/68/41/377996841.db2.gz KVLFIQVOGLAKSP-UHFFFAOYSA-N 2 1 283.419 3.251 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000265976744 190220240 /nfs/dbraw/zinc/22/02/40/190220240.db2.gz BYRAVGNFMFSXSQ-HZPDHXFCSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000265976744 190220241 /nfs/dbraw/zinc/22/02/41/190220241.db2.gz BYRAVGNFMFSXSQ-HZPDHXFCSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000265976744 190220242 /nfs/dbraw/zinc/22/02/42/190220242.db2.gz BYRAVGNFMFSXSQ-HZPDHXFCSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000265976744 190220243 /nfs/dbraw/zinc/22/02/43/190220243.db2.gz BYRAVGNFMFSXSQ-HZPDHXFCSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000578919075 378113514 /nfs/dbraw/zinc/11/35/14/378113514.db2.gz LRJWTFCNYMYWKK-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000578919075 378113520 /nfs/dbraw/zinc/11/35/20/378113520.db2.gz LRJWTFCNYMYWKK-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000578919075 378113524 /nfs/dbraw/zinc/11/35/24/378113524.db2.gz LRJWTFCNYMYWKK-WBVHZDCISA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c[nH]c2c1 ZINC000268807252 378117476 /nfs/dbraw/zinc/11/74/76/378117476.db2.gz LAVIILSIOVYCKQ-RLFYNMQTSA-N 2 1 299.462 3.337 20 0 CGADMP Cc1ccsc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268830729 378125416 /nfs/dbraw/zinc/12/54/16/378125416.db2.gz FEOKTEFKSGBZHF-GFCCVEGCSA-N 2 1 263.410 3.302 20 0 CGADMP CO[C@H](C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268838851 378126807 /nfs/dbraw/zinc/12/68/07/378126807.db2.gz MECKSTKETZNVRC-ZIAGYGMSSA-N 2 1 287.407 3.256 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000268871336 378136986 /nfs/dbraw/zinc/13/69/86/378136986.db2.gz PEYJVDANNOWASX-CQSZACIVSA-N 2 1 289.398 3.332 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2Cc3ccccc3C2)C1 ZINC000579181203 378137958 /nfs/dbraw/zinc/13/79/58/378137958.db2.gz WBEWMSCRFUBNCJ-MRXNPFEDSA-N 2 1 286.463 3.065 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000579181203 378137966 /nfs/dbraw/zinc/13/79/66/378137966.db2.gz WBEWMSCRFUBNCJ-MRXNPFEDSA-N 2 1 286.463 3.065 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000579181203 378137976 /nfs/dbraw/zinc/13/79/76/378137976.db2.gz WBEWMSCRFUBNCJ-MRXNPFEDSA-N 2 1 286.463 3.065 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000268776170 378107143 /nfs/dbraw/zinc/10/71/43/378107143.db2.gz BLAZKNFXWLAHAR-NSHDSACASA-N 2 1 292.452 3.260 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000268780569 378109626 /nfs/dbraw/zinc/10/96/26/378109626.db2.gz BYUWJAARIJUXDE-MRXNPFEDSA-N 2 1 285.391 3.003 20 0 CGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268786245 378110939 /nfs/dbraw/zinc/11/09/39/378110939.db2.gz DXJKQUSKNFPHLZ-NSHDSACASA-N 2 1 293.798 3.204 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)s2)C1 ZINC000269129707 378190739 /nfs/dbraw/zinc/19/07/39/378190739.db2.gz IRJIPBRCNYFBJC-DGCLKSJQSA-N 2 1 284.856 3.318 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)s2)C1 ZINC000269129707 378190742 /nfs/dbraw/zinc/19/07/42/378190742.db2.gz IRJIPBRCNYFBJC-DGCLKSJQSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)s2)C1 ZINC000269129707 378190745 /nfs/dbraw/zinc/19/07/45/378190745.db2.gz IRJIPBRCNYFBJC-DGCLKSJQSA-N 2 1 284.856 3.318 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)s2)C1 ZINC000269129707 378190749 /nfs/dbraw/zinc/19/07/49/378190749.db2.gz IRJIPBRCNYFBJC-DGCLKSJQSA-N 2 1 284.856 3.318 20 0 CGADMP CCc1cccc(OCC[N@H+](CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000345174997 378213244 /nfs/dbraw/zinc/21/32/44/378213244.db2.gz DQAZRHIANWGRRU-KRWDZBQOSA-N 2 1 290.451 3.092 20 0 CGADMP CC[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345189750 378218839 /nfs/dbraw/zinc/21/88/39/378218839.db2.gz MYZBUQIOXAGJLO-HNNXBMFYSA-N 2 1 296.842 3.183 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268999251 378170406 /nfs/dbraw/zinc/17/04/06/378170406.db2.gz JDEGJPBMWDIXFK-YQQAZPJKSA-N 2 1 292.492 3.381 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268999251 378170408 /nfs/dbraw/zinc/17/04/08/378170408.db2.gz JDEGJPBMWDIXFK-YQQAZPJKSA-N 2 1 292.492 3.381 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)OC ZINC000579574479 378172213 /nfs/dbraw/zinc/17/22/13/378172213.db2.gz HXHFMFCCYZNKDK-BDXSIMOUSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000269057728 378181259 /nfs/dbraw/zinc/18/12/59/378181259.db2.gz XCYYWILHIOTFKJ-UWVGGRQHSA-N 2 1 274.330 3.095 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c2c1 ZINC000269997294 378292722 /nfs/dbraw/zinc/29/27/22/378292722.db2.gz WYPGTBQTHLZNQY-SJORKVTESA-N 2 1 297.446 3.235 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000582074960 378283807 /nfs/dbraw/zinc/28/38/07/378283807.db2.gz BUXQSWCZJGUESL-CQSZACIVSA-N 2 1 264.457 3.277 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(C)c1 ZINC000582412737 378310708 /nfs/dbraw/zinc/31/07/08/378310708.db2.gz IMSRLRGMRKEFJN-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000582412737 378310714 /nfs/dbraw/zinc/31/07/14/378310714.db2.gz IMSRLRGMRKEFJN-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000582412737 378310717 /nfs/dbraw/zinc/31/07/17/378310717.db2.gz IMSRLRGMRKEFJN-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(C)c1 ZINC000582412737 378310720 /nfs/dbraw/zinc/31/07/20/378310720.db2.gz IMSRLRGMRKEFJN-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(C)c1 ZINC000582412737 378310726 /nfs/dbraw/zinc/31/07/26/378310726.db2.gz IMSRLRGMRKEFJN-RDJZCZTQSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000270623415 378377600 /nfs/dbraw/zinc/37/76/00/378377600.db2.gz KGKKZQTUPQVTAD-HNNXBMFYSA-N 2 1 271.408 3.317 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000270623415 378377605 /nfs/dbraw/zinc/37/76/05/378377605.db2.gz KGKKZQTUPQVTAD-HNNXBMFYSA-N 2 1 271.408 3.317 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000270646200 378381383 /nfs/dbraw/zinc/38/13/83/378381383.db2.gz NYTYWAHNCPAXSD-LBPRGKRZSA-N 2 1 292.452 3.348 20 0 CGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000270646200 378381386 /nfs/dbraw/zinc/38/13/86/378381386.db2.gz NYTYWAHNCPAXSD-LBPRGKRZSA-N 2 1 292.452 3.348 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000271067944 378445066 /nfs/dbraw/zinc/44/50/66/378445066.db2.gz DKVGVGQIVFUXNS-CJNGLKHVSA-N 2 1 269.392 3.338 20 0 CGADMP c1c[nH+]c([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)[nH]1 ZINC000271651058 378499237 /nfs/dbraw/zinc/49/92/37/378499237.db2.gz RYQHGAXHUVIYMB-ZDUSSCGKSA-N 2 1 278.359 3.342 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000346210791 378507153 /nfs/dbraw/zinc/50/71/53/378507153.db2.gz WCLGUUWWLWJCDF-WDEREUQCSA-N 2 1 277.334 3.148 20 0 CGADMP COc1ccc(C2CC[NH+](CCn3cc[nH+]c3C)CC2)cc1 ZINC000346315630 378540109 /nfs/dbraw/zinc/54/01/09/378540109.db2.gz UIFODKDCCZMAPW-UHFFFAOYSA-N 2 1 299.418 3.080 20 0 CGADMP CC(C)N1CCC([N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000272165617 378575887 /nfs/dbraw/zinc/57/58/87/378575887.db2.gz VYXCEDDPQJEHHF-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP CC(C)[NH+]1CCC(N(C)CCC(=O)c2ccccc2)CC1 ZINC000272165617 378575893 /nfs/dbraw/zinc/57/58/93/378575893.db2.gz VYXCEDDPQJEHHF-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000346570345 378626535 /nfs/dbraw/zinc/62/65/35/378626535.db2.gz VQKJCZRDUWUIFO-HYVNUMGLSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000346570345 378626537 /nfs/dbraw/zinc/62/65/37/378626537.db2.gz VQKJCZRDUWUIFO-HYVNUMGLSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000346594329 378637320 /nfs/dbraw/zinc/63/73/20/378637320.db2.gz MNMVONQCVNIXDX-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000346594329 378637329 /nfs/dbraw/zinc/63/73/29/378637329.db2.gz MNMVONQCVNIXDX-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CSCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272535359 378660177 /nfs/dbraw/zinc/66/01/77/378660177.db2.gz REHWSHCWIVCLBH-RDJZCZTQSA-N 2 1 292.492 3.240 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000346655223 378664448 /nfs/dbraw/zinc/66/44/48/378664448.db2.gz FQYRZMXKSCPNSI-DWTRPJMMSA-N 2 1 264.388 3.144 20 0 CGADMP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000272672223 378685993 /nfs/dbraw/zinc/68/59/93/378685993.db2.gz TYTDTLUOSRSROU-IBGZPJMESA-N 2 1 293.414 3.023 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000272672223 378686002 /nfs/dbraw/zinc/68/60/02/378686002.db2.gz TYTDTLUOSRSROU-IBGZPJMESA-N 2 1 293.414 3.023 20 0 CGADMP c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346859629 378694441 /nfs/dbraw/zinc/69/44/41/378694441.db2.gz SXKINRPSUNMFFC-MSOLQXFVSA-N 2 1 272.436 3.083 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638289801 378757420 /nfs/dbraw/zinc/75/74/20/378757420.db2.gz CMUQGSGKRLMVCJ-UHFFFAOYSA-N 2 1 262.441 3.483 20 0 CGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989835 378703529 /nfs/dbraw/zinc/70/35/29/378703529.db2.gz SDZSCUJGAVIIBW-CKEIUWERSA-N 2 1 276.399 3.208 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000638116199 378704465 /nfs/dbraw/zinc/70/44/65/378704465.db2.gz HXEKPOPDXCBWQV-ZBFHGGJFSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3n2C)CC[N@H+]1C ZINC000638116199 378704469 /nfs/dbraw/zinc/70/44/69/378704469.db2.gz HXEKPOPDXCBWQV-ZBFHGGJFSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)CC[NH+]1C ZINC000638116199 378704472 /nfs/dbraw/zinc/70/44/72/378704472.db2.gz HXEKPOPDXCBWQV-ZBFHGGJFSA-N 2 1 285.435 3.093 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)CC[NH+]1C ZINC000638116199 378704475 /nfs/dbraw/zinc/70/44/75/378704475.db2.gz HXEKPOPDXCBWQV-ZBFHGGJFSA-N 2 1 285.435 3.093 20 0 CGADMP CSC1(C[NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000347923625 378729585 /nfs/dbraw/zinc/72/95/85/378729585.db2.gz OWNIQCCDJCVLLG-HNNXBMFYSA-N 2 1 284.513 3.228 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638318914 378769309 /nfs/dbraw/zinc/76/93/09/378769309.db2.gz XQISOPZYYMNROE-NVXWUHKLSA-N 2 1 256.393 3.107 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638318914 378769317 /nfs/dbraw/zinc/76/93/17/378769317.db2.gz XQISOPZYYMNROE-NVXWUHKLSA-N 2 1 256.393 3.107 20 0 CGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@@H+]1CC(C)C ZINC000348094732 378789257 /nfs/dbraw/zinc/78/92/57/378789257.db2.gz YXHAXSARSJQOQD-SFHVURJKSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC000348104656 378794886 /nfs/dbraw/zinc/79/48/86/378794886.db2.gz CHKUGYCGZULUFS-TZMCWYRMSA-N 2 1 250.386 3.031 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c(C)o1 ZINC000348104656 378794890 /nfs/dbraw/zinc/79/48/90/378794890.db2.gz CHKUGYCGZULUFS-TZMCWYRMSA-N 2 1 250.386 3.031 20 0 CGADMP CC(C)c1nc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cs1 ZINC000274428718 378830777 /nfs/dbraw/zinc/83/07/77/378830777.db2.gz JOXYDODMKMOYPY-GFCCVEGCSA-N 2 1 279.453 3.179 20 0 CGADMP CC(C)c1nc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cs1 ZINC000274428718 378830782 /nfs/dbraw/zinc/83/07/82/378830782.db2.gz JOXYDODMKMOYPY-GFCCVEGCSA-N 2 1 279.453 3.179 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ncc(CN(C)C)s2)CC12CCC2 ZINC000348134600 378806769 /nfs/dbraw/zinc/80/67/69/378806769.db2.gz PTPRPIFRDRQRDJ-ZDUSSCGKSA-N 2 1 293.480 3.217 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278509254 194017961 /nfs/dbraw/zinc/01/79/61/194017961.db2.gz MBHUJSJIKCRRDB-GJZGRUSLSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1ccsc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278509254 194017964 /nfs/dbraw/zinc/01/79/64/194017964.db2.gz MBHUJSJIKCRRDB-GJZGRUSLSA-N 2 1 296.480 3.208 20 0 CGADMP CCOC1CC(C[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000638596720 378844594 /nfs/dbraw/zinc/84/45/94/378844594.db2.gz OREKVWJSQDAZFJ-KLAILNCOSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC1CC(C[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](CC)C2)C1 ZINC000638596720 378844600 /nfs/dbraw/zinc/84/46/00/378844600.db2.gz OREKVWJSQDAZFJ-KLAILNCOSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348238772 378856759 /nfs/dbraw/zinc/85/67/59/378856759.db2.gz FUOGSWARXTZDBX-FHLIZLRMSA-N 2 1 283.419 3.221 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346854186 218037620 /nfs/dbraw/zinc/03/76/20/218037620.db2.gz TYHOIGUWMVTLDX-USXIJHARSA-N 2 1 288.435 3.035 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348241546 378859619 /nfs/dbraw/zinc/85/96/19/378859619.db2.gz JJGZBVDGGYWQOZ-IAGOWNOFSA-N 2 1 260.425 3.112 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348241546 378859626 /nfs/dbraw/zinc/85/96/26/378859626.db2.gz JJGZBVDGGYWQOZ-IAGOWNOFSA-N 2 1 260.425 3.112 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638566155 378836883 /nfs/dbraw/zinc/83/68/83/378836883.db2.gz CABMGVOAHSHWJQ-WCXIOVBPSA-N 2 1 264.457 3.133 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000348362917 378929342 /nfs/dbraw/zinc/92/93/42/378929342.db2.gz CVFXOKWLTYELSF-YOEHRIQHSA-N 2 1 293.430 3.211 20 0 CGADMP C[N@H+](Cc1ccc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000347014456 218092097 /nfs/dbraw/zinc/09/20/97/218092097.db2.gz XIVOWERHMVOPHJ-UHFFFAOYSA-N 2 1 266.454 3.229 20 0 CGADMP C[N@@H+](Cc1ccc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000347014456 218092098 /nfs/dbraw/zinc/09/20/98/218092098.db2.gz XIVOWERHMVOPHJ-UHFFFAOYSA-N 2 1 266.454 3.229 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274943859 378921366 /nfs/dbraw/zinc/92/13/66/378921366.db2.gz UASOQSWFZDQTAK-NWDGAFQWSA-N 2 1 292.814 3.227 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000347043473 218102710 /nfs/dbraw/zinc/10/27/10/218102710.db2.gz MWDVQBIZHPTRAI-YJBOKZPZSA-N 2 1 290.451 3.281 20 0 CGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC1CC[NH2+]CC1)CCC2 ZINC000347014400 218092722 /nfs/dbraw/zinc/09/27/22/218092722.db2.gz XGHGMIOAAOUYHK-AWEZNQCLSA-N 2 1 293.480 3.014 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347014898 218093298 /nfs/dbraw/zinc/09/32/98/218093298.db2.gz ANLJHDGWHHASJW-HNAYVOBHSA-N 2 1 295.430 3.450 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347014898 218093300 /nfs/dbraw/zinc/09/33/00/218093300.db2.gz ANLJHDGWHHASJW-HNAYVOBHSA-N 2 1 295.430 3.450 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000347093962 218119212 /nfs/dbraw/zinc/11/92/12/218119212.db2.gz GZRQGZXVJRHJGG-CYBMUJFWSA-N 2 1 288.366 3.127 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000347093962 218119213 /nfs/dbraw/zinc/11/92/13/218119213.db2.gz GZRQGZXVJRHJGG-CYBMUJFWSA-N 2 1 288.366 3.127 20 0 CGADMP Clc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000370124856 378986040 /nfs/dbraw/zinc/98/60/40/378986040.db2.gz XMAOFXDAIQZVNF-UHFFFAOYSA-N 2 1 278.827 3.447 20 0 CGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000347067357 218111249 /nfs/dbraw/zinc/11/12/49/218111249.db2.gz MNCJQQDBNQTWOC-INIZCTEOSA-N 2 1 276.424 3.036 20 0 CGADMP C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347125234 218131740 /nfs/dbraw/zinc/13/17/40/218131740.db2.gz XRAHBGQQRMSRMA-UHFFFAOYSA-N 2 1 290.304 3.028 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347125234 218131744 /nfs/dbraw/zinc/13/17/44/218131744.db2.gz XRAHBGQQRMSRMA-UHFFFAOYSA-N 2 1 290.304 3.028 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347173434 218145434 /nfs/dbraw/zinc/14/54/34/218145434.db2.gz ORICYXBPKQZGLW-KRWDZBQOSA-N 2 1 295.430 3.180 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000347180593 218146667 /nfs/dbraw/zinc/14/66/67/218146667.db2.gz UZOBCJQRJZHKOD-DOTOQJQBSA-N 2 1 260.425 3.241 20 0 CGADMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccsc1 ZINC000276905758 379018246 /nfs/dbraw/zinc/01/82/46/379018246.db2.gz JUZPNRIKMKXGPU-CQSZACIVSA-N 2 1 263.410 3.384 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277048474 379053759 /nfs/dbraw/zinc/05/37/59/379053759.db2.gz CIQUAOBKAMZORR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277048474 379053766 /nfs/dbraw/zinc/05/37/66/379053766.db2.gz CIQUAOBKAMZORR-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4ncccc34)C2)C1 ZINC000639207765 379140090 /nfs/dbraw/zinc/14/00/90/379140090.db2.gz KPFOTVVOSHJKJT-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4ncccc34)C2)C1 ZINC000639207765 379140099 /nfs/dbraw/zinc/14/00/99/379140099.db2.gz KPFOTVVOSHJKJT-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4ncccc34)C2)C1 ZINC000639207765 379140105 /nfs/dbraw/zinc/14/01/05/379140105.db2.gz KPFOTVVOSHJKJT-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277415202 379154069 /nfs/dbraw/zinc/15/40/69/379154069.db2.gz IQTSYIPKVFAQCQ-RCMYXZNBSA-N 2 1 288.435 3.125 20 0 CGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277415202 379154078 /nfs/dbraw/zinc/15/40/78/379154078.db2.gz IQTSYIPKVFAQCQ-RCMYXZNBSA-N 2 1 288.435 3.125 20 0 CGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277601295 379197746 /nfs/dbraw/zinc/19/77/46/379197746.db2.gz VRCMSCTXNXLBKO-NVXWUHKLSA-N 2 1 290.451 3.215 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000373204419 379243304 /nfs/dbraw/zinc/24/33/04/379243304.db2.gz HYRWYQLINJXJQV-FLTXBFBQSA-N 2 1 291.464 3.044 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000373204419 379243309 /nfs/dbraw/zinc/24/33/09/379243309.db2.gz HYRWYQLINJXJQV-FLTXBFBQSA-N 2 1 291.464 3.044 20 0 CGADMP CCc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000373469917 379284647 /nfs/dbraw/zinc/28/46/47/379284647.db2.gz PMSMXTOGFKOJSG-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1C ZINC000373470004 379284818 /nfs/dbraw/zinc/28/48/18/379284818.db2.gz QIPBLDBFPTULLY-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000373492541 379290812 /nfs/dbraw/zinc/29/08/12/379290812.db2.gz FIXIXHZOXFQZJP-OOHWJJMZSA-N 2 1 258.409 3.354 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1coc2ccccc12 ZINC000349424074 379279168 /nfs/dbraw/zinc/27/91/68/379279168.db2.gz YJOHQAAJERHPBK-UHFFFAOYSA-N 2 1 283.375 3.460 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1coc2ccccc12 ZINC000349424074 379279178 /nfs/dbraw/zinc/27/91/78/379279178.db2.gz YJOHQAAJERHPBK-UHFFFAOYSA-N 2 1 283.375 3.460 20 0 CGADMP CCSc1cccc(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000349663101 379335803 /nfs/dbraw/zinc/33/58/03/379335803.db2.gz CCEFFMZHQZQXOP-CYBMUJFWSA-N 2 1 266.454 3.228 20 0 CGADMP COC1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000373903622 379349353 /nfs/dbraw/zinc/34/93/53/379349353.db2.gz LNWXEECZOHALGD-NXYGQSRBSA-N 2 1 294.483 3.331 20 0 CGADMP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)CC(C)C ZINC000347609769 218290710 /nfs/dbraw/zinc/29/07/10/218290710.db2.gz KSRSSBATUFPZOG-UHFFFAOYSA-N 2 1 269.458 3.073 20 0 CGADMP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)CC(C)C ZINC000347609769 218290713 /nfs/dbraw/zinc/29/07/13/218290713.db2.gz KSRSSBATUFPZOG-UHFFFAOYSA-N 2 1 269.458 3.073 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)CC2CCOCC2)C[C@@H]1C ZINC000349966228 379463253 /nfs/dbraw/zinc/46/32/53/379463253.db2.gz GCKNSCRXXITRTC-BQFCYCMXSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)CC2CCOCC2)C[C@@H]1C ZINC000349966228 379463258 /nfs/dbraw/zinc/46/32/58/379463258.db2.gz GCKNSCRXXITRTC-BQFCYCMXSA-N 2 1 296.499 3.244 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683511 379545788 /nfs/dbraw/zinc/54/57/88/379545788.db2.gz IOUGUISQMJVQJO-IBGZPJMESA-N 2 1 293.414 3.281 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639684489 379546185 /nfs/dbraw/zinc/54/61/85/379546185.db2.gz VSIMCMAHFHLNLE-AWEZNQCLSA-N 2 1 295.377 3.029 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279733883 379504066 /nfs/dbraw/zinc/50/40/66/379504066.db2.gz NWVYTZHGXTURSU-LZLYRXPVSA-N 2 1 290.451 3.084 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376558591 379580720 /nfs/dbraw/zinc/58/07/20/379580720.db2.gz PCQMCVPPJSPSTE-YJBOKZPZSA-N 2 1 298.434 3.450 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376558591 379580729 /nfs/dbraw/zinc/58/07/29/379580729.db2.gz PCQMCVPPJSPSTE-YJBOKZPZSA-N 2 1 298.434 3.450 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCCCC3CCOCC3)C2)CC1 ZINC000639755417 379570054 /nfs/dbraw/zinc/57/00/54/379570054.db2.gz KIAWKIBIIUDION-UHFFFAOYSA-N 2 1 294.483 3.001 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000639756249 379570496 /nfs/dbraw/zinc/57/04/96/379570496.db2.gz SUUBYYLDQDLPIX-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000639757426 379572427 /nfs/dbraw/zinc/57/24/27/379572427.db2.gz JBUYZOMSKPSTDC-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000639757608 379572541 /nfs/dbraw/zinc/57/25/41/379572541.db2.gz JGYUZOUHZALUNQ-KRWDZBQOSA-N 2 1 288.410 3.231 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1F ZINC000278999428 194246545 /nfs/dbraw/zinc/24/65/45/194246545.db2.gz RFUJCKUZNUMNIK-XJKSGUPXSA-N 2 1 287.382 3.326 20 0 CGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639986998 379677316 /nfs/dbraw/zinc/67/73/16/379677316.db2.gz DKSDHHLNOBEQTN-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Cl)c1ccco1 ZINC000267280913 190317944 /nfs/dbraw/zinc/31/79/44/190317944.db2.gz OUHVOGQCGADOQK-GFCCVEGCSA-N 2 1 265.744 3.043 20 0 CGADMP FCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000352412766 379804334 /nfs/dbraw/zinc/80/43/34/379804334.db2.gz IQXOABBSFGAKNL-UHFFFAOYSA-N 2 1 279.403 3.149 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352524257 379843712 /nfs/dbraw/zinc/84/37/12/379843712.db2.gz AXQFADGQENCJOP-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352524257 379843718 /nfs/dbraw/zinc/84/37/18/379843718.db2.gz AXQFADGQENCJOP-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1ccc(CCC[N@@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352526485 379844265 /nfs/dbraw/zinc/84/42/65/379844265.db2.gz OBQWLGPMNIIJFD-UHFFFAOYSA-N 2 1 289.467 3.164 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352527206 379844793 /nfs/dbraw/zinc/84/47/93/379844793.db2.gz XTIBHCFBGZSSKP-MRXNPFEDSA-N 2 1 299.418 3.353 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352527206 379844797 /nfs/dbraw/zinc/84/47/97/379844797.db2.gz XTIBHCFBGZSSKP-MRXNPFEDSA-N 2 1 299.418 3.353 20 0 CGADMP CC(C)[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000352568299 379861140 /nfs/dbraw/zinc/86/11/40/379861140.db2.gz XQYBVNZLMKDUNI-GPANFISMSA-N 2 1 282.472 3.043 20 0 CGADMP Cc1cnc([C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640534108 379820323 /nfs/dbraw/zinc/82/03/23/379820323.db2.gz LUKCYGBLPGUTRX-MRXNPFEDSA-N 2 1 290.455 3.044 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000399863903 379946388 /nfs/dbraw/zinc/94/63/88/379946388.db2.gz FEUUYMOYXHBAHY-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000399863903 379946391 /nfs/dbraw/zinc/94/63/91/379946391.db2.gz FEUUYMOYXHBAHY-CABCVRRESA-N 2 1 264.438 3.081 20 0 CGADMP C[NH+](C)CC1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641298925 379986464 /nfs/dbraw/zinc/98/64/64/379986464.db2.gz PEYMJPIDNKAEPY-UHFFFAOYSA-N 2 1 275.440 3.157 20 0 CGADMP CC(C)(C)c1cc[nH+]c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000641299923 379986885 /nfs/dbraw/zinc/98/68/85/379986885.db2.gz YAWOJBVCFIYYNN-CABCVRRESA-N 2 1 273.424 3.418 20 0 CGADMP CC(C)(C)c1cc[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000641299923 379986888 /nfs/dbraw/zinc/98/68/88/379986888.db2.gz YAWOJBVCFIYYNN-CABCVRRESA-N 2 1 273.424 3.418 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2CC(c3ccccc3)C2)CC[N@H+]1C ZINC000283382646 380058581 /nfs/dbraw/zinc/05/85/81/380058581.db2.gz OUOWMZOXWYCBFX-OBHHBEAMSA-N 2 1 272.436 3.253 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283183106 380043697 /nfs/dbraw/zinc/04/36/97/380043697.db2.gz JZRTZTJKNBBUOA-JLSDUUJJSA-N 2 1 272.436 3.253 20 0 CGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267973339 190366522 /nfs/dbraw/zinc/36/65/22/190366522.db2.gz CNHOXACGVDSZHA-JZXOWHBKSA-N 2 1 290.451 3.054 20 0 CGADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267973339 190366523 /nfs/dbraw/zinc/36/65/23/190366523.db2.gz CNHOXACGVDSZHA-JZXOWHBKSA-N 2 1 290.451 3.054 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4occc4c3)CC[C@H]21 ZINC000347914784 218397919 /nfs/dbraw/zinc/39/79/19/218397919.db2.gz PDBSWAFMCIFCNN-IAGOWNOFSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4occc4c3)CC[C@H]21 ZINC000347914784 218397921 /nfs/dbraw/zinc/39/79/21/218397921.db2.gz PDBSWAFMCIFCNN-IAGOWNOFSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4occc4c3)CC[C@H]21 ZINC000347914784 218397922 /nfs/dbraw/zinc/39/79/22/218397922.db2.gz PDBSWAFMCIFCNN-IAGOWNOFSA-N 2 1 284.403 3.349 20 0 CGADMP Cc1ccccc1C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000284376997 380139563 /nfs/dbraw/zinc/13/95/63/380139563.db2.gz OOIMKGNKPJFEFI-IBGZPJMESA-N 2 1 284.447 3.168 20 0 CGADMP C[C@H]1CCC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000353157284 380145258 /nfs/dbraw/zinc/14/52/58/380145258.db2.gz VAJYFJDJKMJGCD-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000353157284 380145266 /nfs/dbraw/zinc/14/52/66/380145266.db2.gz VAJYFJDJKMJGCD-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP C[C@H]1CCC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000353157284 380145276 /nfs/dbraw/zinc/14/52/76/380145276.db2.gz VAJYFJDJKMJGCD-HCMIALLCSA-N 2 1 264.457 3.370 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2[C@@H](C)CCC2(C)C)cc1 ZINC000641801586 380111917 /nfs/dbraw/zinc/11/19/17/380111917.db2.gz SVMQPWXITZPLSX-DZGCQCFKSA-N 2 1 276.424 3.000 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411974947 380157357 /nfs/dbraw/zinc/15/73/57/380157357.db2.gz BBQBOUIWZCNLQQ-SFHVURJKSA-N 2 1 295.430 3.461 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411974947 380157367 /nfs/dbraw/zinc/15/73/67/380157367.db2.gz BBQBOUIWZCNLQQ-SFHVURJKSA-N 2 1 295.430 3.461 20 0 CGADMP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000353945810 380247812 /nfs/dbraw/zinc/24/78/12/380247812.db2.gz RXTIELCMMCEMKV-KRWDZBQOSA-N 2 1 289.467 3.177 20 0 CGADMP COc1ccccc1[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643057855 380209382 /nfs/dbraw/zinc/20/93/82/380209382.db2.gz MLYWSGZHMZRJGQ-NVXWUHKLSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353497570 380210379 /nfs/dbraw/zinc/21/03/79/380210379.db2.gz PLMDGDUVGRTOQN-LYYZXLFJSA-N 2 1 250.430 3.028 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000353927460 380239535 /nfs/dbraw/zinc/23/95/35/380239535.db2.gz JAWOATSTXZXIHO-SQNIBIBYSA-N 2 1 296.499 3.293 20 0 CGADMP c1[nH+]c(NC2CC[NH+](CC3CC3)CC2)cc2c1CCCC2 ZINC000643323031 380276524 /nfs/dbraw/zinc/27/65/24/380276524.db2.gz DTLATYVTWYCRBN-UHFFFAOYSA-N 2 1 285.435 3.247 20 0 CGADMP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000414613128 380335548 /nfs/dbraw/zinc/33/55/48/380335548.db2.gz FKQNKINJXCRFFP-UONOGXRCSA-N 2 1 292.427 3.195 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccncc1 ZINC000643460285 380312134 /nfs/dbraw/zinc/31/21/34/380312134.db2.gz LEHWKUKAZHXSEO-AYOQOUSVSA-N 2 1 295.430 3.268 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2c(F)cccc2Cl)CC[NH2+]1 ZINC000414673543 380365865 /nfs/dbraw/zinc/36/58/65/380365865.db2.gz COJDNZWIFRGORP-NWDGAFQWSA-N 2 1 284.806 3.299 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414679561 380369249 /nfs/dbraw/zinc/36/92/49/380369249.db2.gz LROXEQRZQKCXDO-JHJVBQTASA-N 2 1 282.378 3.346 20 0 CGADMP COc1cccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)c1 ZINC000414681934 380371194 /nfs/dbraw/zinc/37/11/94/380371194.db2.gz QDCJGIBSJSQSCP-WBVHZDCISA-N 2 1 276.424 3.206 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)c1 ZINC000414681934 380371197 /nfs/dbraw/zinc/37/11/97/380371197.db2.gz QDCJGIBSJSQSCP-WBVHZDCISA-N 2 1 276.424 3.206 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414695763 380378075 /nfs/dbraw/zinc/37/80/75/380378075.db2.gz OVMDFMZGQMUFEW-YCPHGPKFSA-N 2 1 276.399 3.003 20 0 CGADMP CC[N@@H+](CC1CCC(C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000414720441 380387795 /nfs/dbraw/zinc/38/77/95/380387795.db2.gz YMEGTDIZWPZTMF-GPANFISMSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC000414756405 380392851 /nfs/dbraw/zinc/39/28/51/380392851.db2.gz QRGBXQGIBLEIBF-NWDGAFQWSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1F ZINC000643522232 380338079 /nfs/dbraw/zinc/33/80/79/380338079.db2.gz KEZYKQZZDDZHJO-CJNGLKHVSA-N 2 1 282.378 3.394 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000643526909 380342630 /nfs/dbraw/zinc/34/26/30/380342630.db2.gz HJFAPJRMOFGKAM-FZMZJTMJSA-N 2 1 252.377 3.240 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000643528105 380345231 /nfs/dbraw/zinc/34/52/31/380345231.db2.gz ZOOWOXZWICIIQO-MFKMUULPSA-N 2 1 274.330 3.339 20 0 CGADMP CCC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000414651122 380351944 /nfs/dbraw/zinc/35/19/44/380351944.db2.gz FDMMZCXZWQCULA-WMZOPIPTSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000414657350 380354965 /nfs/dbraw/zinc/35/49/65/380354965.db2.gz OKJYPTJGIGLUFP-UHFFFAOYSA-N 2 1 286.341 3.198 20 0 CGADMP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546166 380360050 /nfs/dbraw/zinc/36/00/50/380360050.db2.gz JXINZNJALQJGIE-GDBMZVCRSA-N 2 1 286.419 3.165 20 0 CGADMP Fc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771765 380397285 /nfs/dbraw/zinc/39/72/85/380397285.db2.gz AMRHQRGEAKPIOL-OLZOCXBDSA-N 2 1 296.817 3.301 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000414813547 380423882 /nfs/dbraw/zinc/42/38/82/380423882.db2.gz MPENDXHVDCXYTN-DZGCQCFKSA-N 2 1 296.430 3.120 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000414818091 380428086 /nfs/dbraw/zinc/42/80/86/380428086.db2.gz URZZTHBFWGYQFJ-ZDUSSCGKSA-N 2 1 282.453 3.024 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000414817867 380428366 /nfs/dbraw/zinc/42/83/66/380428366.db2.gz UAORTKFXIZQXHM-NVXWUHKLSA-N 2 1 262.441 3.423 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000414831257 380440703 /nfs/dbraw/zinc/44/07/03/380440703.db2.gz CTYZUZDMNHWTFZ-HNNXBMFYSA-N 2 1 298.430 3.307 20 0 CGADMP CCSc1cccc(C[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000414835123 380442459 /nfs/dbraw/zinc/44/24/59/380442459.db2.gz HBUULRSNPNCECS-AWEZNQCLSA-N 2 1 266.454 3.262 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)cc2)CCCCC1 ZINC000414836803 380444020 /nfs/dbraw/zinc/44/40/20/380444020.db2.gz GNCSSNUKOKXDKX-UHFFFAOYSA-N 2 1 284.350 3.039 20 0 CGADMP C[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414843335 380449866 /nfs/dbraw/zinc/44/98/66/380449866.db2.gz BTCJZESVJPQADE-TZMCWYRMSA-N 2 1 293.480 3.278 20 0 CGADMP Clc1csc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774723 380398233 /nfs/dbraw/zinc/39/82/33/380398233.db2.gz FUXSQKPBOKTXLS-RYUDHWBXSA-N 2 1 284.856 3.223 20 0 CGADMP Clc1ccsc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772799 380399042 /nfs/dbraw/zinc/39/90/42/380399042.db2.gz CMJFDPHOGWQIET-VXGBXAGGSA-N 2 1 284.856 3.223 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414780326 380401055 /nfs/dbraw/zinc/40/10/55/380401055.db2.gz LIINAJDPQBUQAL-ZIAGYGMSSA-N 2 1 296.817 3.301 20 0 CGADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])co2)cc1 ZINC000414796316 380410242 /nfs/dbraw/zinc/41/02/42/380410242.db2.gz HMOAFWCNBSGVDO-NVXWUHKLSA-N 2 1 299.418 3.257 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(Br)c1 ZINC000414803170 380415665 /nfs/dbraw/zinc/41/56/65/380415665.db2.gz LUALZFGMFVHSQQ-UHFFFAOYSA-N 2 1 285.229 3.056 20 0 CGADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 ZINC000414806567 380417765 /nfs/dbraw/zinc/41/77/65/380417765.db2.gz HSKDEPGUMXFEDM-LLVKDONJSA-N 2 1 276.330 3.274 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414956646 380502796 /nfs/dbraw/zinc/50/27/96/380502796.db2.gz PYKZQALPPLGITM-JMSVASOKSA-N 2 1 266.816 3.001 20 0 CGADMP COc1ccc(C2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414861074 380460969 /nfs/dbraw/zinc/46/09/69/380460969.db2.gz DWEVEUBHCYBLQL-BDVYOWHSSA-N 2 1 288.435 3.063 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414862926 380463220 /nfs/dbraw/zinc/46/32/20/380463220.db2.gz BIMZEGJSLLRGIH-LLVKDONJSA-N 2 1 274.861 3.312 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414868890 380466862 /nfs/dbraw/zinc/46/68/62/380466862.db2.gz QDOZLNRSTYWGMP-HOCLYGCPSA-N 2 1 260.425 3.084 20 0 CGADMP CCC[NH2+]CC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414871854 380466995 /nfs/dbraw/zinc/46/69/95/380466995.db2.gz ORLRVSGYUYOIRV-GFCCVEGCSA-N 2 1 288.357 3.398 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414876239 380470206 /nfs/dbraw/zinc/47/02/06/380470206.db2.gz KHQOPBIUVVQNGL-RDJZCZTQSA-N 2 1 275.440 3.120 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)C1CC1 ZINC000414886054 380473994 /nfs/dbraw/zinc/47/39/94/380473994.db2.gz CGJMGQKINNVJTQ-HNNXBMFYSA-N 2 1 290.407 3.381 20 0 CGADMP c1ccc([C@H]2CCCC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414891483 380476536 /nfs/dbraw/zinc/47/65/36/380476536.db2.gz ODFIKSHSKVHCKZ-BZSNNMDCSA-N 2 1 272.436 3.445 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000414902988 380481414 /nfs/dbraw/zinc/48/14/14/380481414.db2.gz ZEAVEBVSAAGXRR-GOSISDBHSA-N 2 1 266.388 3.181 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421333401 380875619 /nfs/dbraw/zinc/87/56/19/380875619.db2.gz NUKJSNSKCWFQSZ-UHFFFAOYSA-N 2 1 261.413 3.284 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000420292272 380844351 /nfs/dbraw/zinc/84/43/51/380844351.db2.gz OYSBVJHTCDAQST-MKBNYLNASA-N 2 1 278.827 3.387 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000420292274 380844555 /nfs/dbraw/zinc/84/45/55/380844555.db2.gz OYSBVJHTCDAQST-MQIPJXDCSA-N 2 1 278.827 3.387 20 0 CGADMP CC[N@H+](CCC1CC[NH+](Cc2ccon2)CC1)CC1CC1 ZINC000357092533 381024505 /nfs/dbraw/zinc/02/45/05/381024505.db2.gz YYQISNMCSJOJSV-UHFFFAOYSA-N 2 1 291.439 3.009 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccon2)CC1)CC1CC1 ZINC000357092533 381024512 /nfs/dbraw/zinc/02/45/12/381024512.db2.gz YYQISNMCSJOJSV-UHFFFAOYSA-N 2 1 291.439 3.009 20 0 CGADMP c1csc([C@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)n1 ZINC000359221295 381340709 /nfs/dbraw/zinc/34/07/09/381340709.db2.gz OSJIRMFQBYCHCF-CQSZACIVSA-N 2 1 279.453 3.060 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000334866675 207212498 /nfs/dbraw/zinc/21/24/98/207212498.db2.gz BPPXPJYHAMKKEL-HKUYNNGSSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000362572928 382061825 /nfs/dbraw/zinc/06/18/25/382061825.db2.gz NIKJEEDHPYHLEI-NSHDSACASA-N 2 1 286.404 3.152 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc2ncsc2c1 ZINC000362572325 382061925 /nfs/dbraw/zinc/06/19/25/382061925.db2.gz GZXPAKOCDSVBTM-GXTWGEPZSA-N 2 1 289.448 3.431 20 0 CGADMP c1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000245861495 542324147 /nfs/dbraw/zinc/32/41/47/542324147.db2.gz OAPUJKCBBIWAJL-SJORKVTESA-N 2 1 270.420 3.282 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127240 382334184 /nfs/dbraw/zinc/33/41/84/382334184.db2.gz RILJVDPSHXOIFG-HXFGRODQSA-N 2 1 284.447 3.395 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367633560 382352571 /nfs/dbraw/zinc/35/25/71/382352571.db2.gz IJGRYJOJTSDBHR-ZBFHGGJFSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367633560 382352577 /nfs/dbraw/zinc/35/25/77/382352577.db2.gz IJGRYJOJTSDBHR-ZBFHGGJFSA-N 2 1 290.455 3.031 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000367633560 382352580 /nfs/dbraw/zinc/35/25/80/382352580.db2.gz IJGRYJOJTSDBHR-ZBFHGGJFSA-N 2 1 290.455 3.031 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263233 542330323 /nfs/dbraw/zinc/33/03/23/542330323.db2.gz VLKYVGMACWXQOG-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263233 542330328 /nfs/dbraw/zinc/33/03/28/542330328.db2.gz VLKYVGMACWXQOG-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263233 542330333 /nfs/dbraw/zinc/33/03/33/542330333.db2.gz VLKYVGMACWXQOG-WMZOPIPTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)CC[C@H]1[NH3+] ZINC000251900499 542348731 /nfs/dbraw/zinc/34/87/31/542348731.db2.gz WUQKPYCDAHNFRG-NVXWUHKLSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1[NH3+] ZINC000335333787 208214872 /nfs/dbraw/zinc/21/48/72/208214872.db2.gz GKPUWTZSTQBSPR-ABAIWWIYSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1[NH3+] ZINC000335333787 208214879 /nfs/dbraw/zinc/21/48/79/208214879.db2.gz GKPUWTZSTQBSPR-ABAIWWIYSA-N 2 1 289.810 3.057 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)s2)C[C@H]1C ZINC000353756547 220309108 /nfs/dbraw/zinc/30/91/08/220309108.db2.gz VTQVKAPNRKPSTN-TZMCWYRMSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)s2)C[C@H]1C ZINC000353756547 220309112 /nfs/dbraw/zinc/30/91/12/220309112.db2.gz VTQVKAPNRKPSTN-TZMCWYRMSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)s2)C[C@H]1C ZINC000353756547 220309114 /nfs/dbraw/zinc/30/91/14/220309114.db2.gz VTQVKAPNRKPSTN-TZMCWYRMSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)s2)C[C@H]1C ZINC000353756547 220309118 /nfs/dbraw/zinc/30/91/18/220309118.db2.gz VTQVKAPNRKPSTN-TZMCWYRMSA-N 2 1 266.454 3.361 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccnn1-c1ccccc1 ZINC000281249771 542383467 /nfs/dbraw/zinc/38/34/67/542383467.db2.gz NTYBVYZCASFXAD-MRXNPFEDSA-N 2 1 298.434 3.009 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000502719701 285148425 /nfs/dbraw/zinc/14/84/25/285148425.db2.gz FIISUZQXGPILJQ-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000502719701 285148426 /nfs/dbraw/zinc/14/84/26/285148426.db2.gz FIISUZQXGPILJQ-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000423234148 533110195 /nfs/dbraw/zinc/11/01/95/533110195.db2.gz LCTOAESWSGHPMG-ZIAGYGMSSA-N 2 1 284.403 3.251 20 0 CGADMP c1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000339068447 542486282 /nfs/dbraw/zinc/48/62/82/542486282.db2.gz QHOIXJVKBYENEN-ROUUACIJSA-N 2 1 284.447 3.325 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000348121897 542516646 /nfs/dbraw/zinc/51/66/46/542516646.db2.gz JLPJGKRUNXLNKX-ZWKOTPCHSA-N 2 1 272.436 3.417 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000423282170 533352423 /nfs/dbraw/zinc/35/24/23/533352423.db2.gz CDTJCUCCGNWRGQ-CYBMUJFWSA-N 2 1 269.392 3.137 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)c2c1 ZINC000423269436 533358139 /nfs/dbraw/zinc/35/81/39/533358139.db2.gz HDZVTJSBVWXAFN-DOMZBBRYSA-N 2 1 290.407 3.384 20 0 CGADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000483265592 533364085 /nfs/dbraw/zinc/36/40/85/533364085.db2.gz UHCWTXVDLIRUFN-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423333416 533439044 /nfs/dbraw/zinc/43/90/44/533439044.db2.gz PSIACNRMGXNVSY-IAQYHMDHSA-N 2 1 268.351 3.005 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527676 533521346 /nfs/dbraw/zinc/52/13/46/533521346.db2.gz MKRZTEHOQNHRNI-FPMFFAJLSA-N 2 1 286.341 3.063 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449129262 533469915 /nfs/dbraw/zinc/46/99/15/533469915.db2.gz USULQUBYFHOTFZ-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449129262 533469917 /nfs/dbraw/zinc/46/99/17/533469917.db2.gz USULQUBYFHOTFZ-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP COc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1Cl ZINC000412048715 533540469 /nfs/dbraw/zinc/54/04/69/533540469.db2.gz XHVAFYMLDLWMFR-AWEZNQCLSA-N 2 1 296.842 3.265 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1Cl ZINC000412048715 533540476 /nfs/dbraw/zinc/54/04/76/533540476.db2.gz XHVAFYMLDLWMFR-AWEZNQCLSA-N 2 1 296.842 3.265 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000412048715 533540479 /nfs/dbraw/zinc/54/04/79/533540479.db2.gz XHVAFYMLDLWMFR-AWEZNQCLSA-N 2 1 296.842 3.265 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000412048715 533540480 /nfs/dbraw/zinc/54/04/80/533540480.db2.gz XHVAFYMLDLWMFR-AWEZNQCLSA-N 2 1 296.842 3.265 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994689 391965008 /nfs/dbraw/zinc/96/50/08/391965008.db2.gz UCTHZGOMFAOZCX-INIZCTEOSA-N 2 1 250.430 3.032 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCCC1 ZINC000054077507 392088661 /nfs/dbraw/zinc/08/86/61/392088661.db2.gz RQVBYXPHZFZIBO-CQSZACIVSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000054555335 392092607 /nfs/dbraw/zinc/09/26/07/392092607.db2.gz SUGKUONYNZMGNJ-SJJHQCBESA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000054555335 392092617 /nfs/dbraw/zinc/09/26/17/392092617.db2.gz SUGKUONYNZMGNJ-SJJHQCBESA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000576725719 335240400 /nfs/dbraw/zinc/24/04/00/335240400.db2.gz BAIZUVAVOQCSHL-ZDUSSCGKSA-N 2 1 256.340 3.087 20 0 CGADMP CCCC[C@@H](CC)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425973427 542649074 /nfs/dbraw/zinc/64/90/74/542649074.db2.gz IUCZREVEYCUBDE-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@@H](CC)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425973427 542649075 /nfs/dbraw/zinc/64/90/75/542649075.db2.gz IUCZREVEYCUBDE-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@@H](CC)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425973427 542649081 /nfs/dbraw/zinc/64/90/81/542649081.db2.gz IUCZREVEYCUBDE-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720258 392230133 /nfs/dbraw/zinc/23/01/33/392230133.db2.gz NUAZCMJXSXZXQE-YOEHRIQHSA-N 2 1 260.425 3.382 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC(C)(C)C1 ZINC000106868861 392312003 /nfs/dbraw/zinc/31/20/03/392312003.db2.gz OSJKIPMXQHZNPH-LVQVYYBASA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763803 392316371 /nfs/dbraw/zinc/31/63/71/392316371.db2.gz GMTMVFWSUZRAPG-VNHYZAJKSA-N 2 1 293.430 3.025 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763803 392316375 /nfs/dbraw/zinc/31/63/75/392316375.db2.gz GMTMVFWSUZRAPG-VNHYZAJKSA-N 2 1 293.430 3.025 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000361763803 392316380 /nfs/dbraw/zinc/31/63/80/392316380.db2.gz GMTMVFWSUZRAPG-VNHYZAJKSA-N 2 1 293.430 3.025 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000104946964 392281785 /nfs/dbraw/zinc/28/17/85/392281785.db2.gz LBJJWJQFYHGKEX-UHFFFAOYSA-N 2 1 275.440 3.026 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1Cl ZINC000105443448 392289048 /nfs/dbraw/zinc/28/90/48/392289048.db2.gz KGMIRFITFVPFIC-GFCCVEGCSA-N 2 1 277.799 3.271 20 0 CGADMP Cc1ccccc1OCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108369899 392342304 /nfs/dbraw/zinc/34/23/04/392342304.db2.gz BCOJGSNNHHZBOG-UHFFFAOYSA-N 2 1 290.451 3.226 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000434776425 542656893 /nfs/dbraw/zinc/65/68/93/542656893.db2.gz MRMZGOAXDJLDQR-HNNXBMFYSA-N 2 1 252.446 3.134 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453314162 542681582 /nfs/dbraw/zinc/68/15/82/542681582.db2.gz XSCWTRSPPZKYSD-LAVFITLUSA-N 2 1 272.436 3.458 20 0 CGADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453314162 542681585 /nfs/dbraw/zinc/68/15/85/542681585.db2.gz XSCWTRSPPZKYSD-LAVFITLUSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC000453399816 542682466 /nfs/dbraw/zinc/68/24/66/542682466.db2.gz LPTFHLFNXZAERZ-QGZVFWFLSA-N 2 1 276.399 3.277 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)CCOCc2ccccc2)CC1 ZINC000286871671 392389318 /nfs/dbraw/zinc/38/93/18/392389318.db2.gz BUVARJNTUSVRKE-MRXNPFEDSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC[NH3+] ZINC000123355674 392426968 /nfs/dbraw/zinc/42/69/68/392426968.db2.gz WATGXVYIHWBICC-SNVBAGLBSA-N 2 1 260.303 3.047 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000291302677 392459898 /nfs/dbraw/zinc/45/98/98/392459898.db2.gz SNXZVLPZXMLCNU-KSSFIOAISA-N 2 1 288.435 3.091 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000151851769 392486552 /nfs/dbraw/zinc/48/65/52/392486552.db2.gz KSWDBGLNXXMWHU-MBNYWOFBSA-N 2 1 282.378 3.141 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)CC1 ZINC000294933636 392541387 /nfs/dbraw/zinc/54/13/87/392541387.db2.gz BSUGSLIHVOYJNV-RHSMWYFYSA-N 2 1 288.435 3.361 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371337771 392514093 /nfs/dbraw/zinc/51/40/93/392514093.db2.gz WFBTTZVBNIYCHW-HHARLNAUSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000300316372 392581610 /nfs/dbraw/zinc/58/16/10/392581610.db2.gz PYPNPPAOOBJYOO-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000163266622 392604450 /nfs/dbraw/zinc/60/44/50/392604450.db2.gz COBMJNANGQVFGR-NVXWUHKLSA-N 2 1 288.435 3.140 20 0 CGADMP Cc1cccc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000302241493 392613672 /nfs/dbraw/zinc/61/36/72/392613672.db2.gz OCPZZYKZWIMCDS-OKILXGFUSA-N 2 1 261.413 3.170 20 0 CGADMP Cc1cccc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000302241493 392613675 /nfs/dbraw/zinc/61/36/75/392613675.db2.gz OCPZZYKZWIMCDS-OKILXGFUSA-N 2 1 261.413 3.170 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC000302702471 392619064 /nfs/dbraw/zinc/61/90/64/392619064.db2.gz BMQRXFXAWLQHGG-MAUKXSAKSA-N 2 1 295.430 3.464 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344688 392694442 /nfs/dbraw/zinc/69/44/42/392694442.db2.gz XFZRRWWLMFHZGZ-IPELMVKDSA-N 2 1 298.430 3.146 20 0 CGADMP c1ccc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000372898835 392644992 /nfs/dbraw/zinc/64/49/92/392644992.db2.gz WUEJHXYSALXCOT-SFHVURJKSA-N 2 1 288.435 3.016 20 0 CGADMP c1ccc(O[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000372898835 392645000 /nfs/dbraw/zinc/64/50/00/392645000.db2.gz WUEJHXYSALXCOT-SFHVURJKSA-N 2 1 288.435 3.016 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344612 392691843 /nfs/dbraw/zinc/69/18/43/392691843.db2.gz VJBHSUIEAIAJFS-NRSFXHEJSA-N 2 1 272.436 3.110 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647498339 392742615 /nfs/dbraw/zinc/74/26/15/392742615.db2.gz FOWJELRZKKWESS-AEFFLSMTSA-N 2 1 290.451 3.281 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1[NH3+] ZINC000647498683 392742798 /nfs/dbraw/zinc/74/27/98/392742798.db2.gz MZORTZYENWBJQF-WFASDCNBSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC[NH2+]C1 ZINC000647513686 392746402 /nfs/dbraw/zinc/74/64/02/392746402.db2.gz YOLPFHAJIPPSAZ-KDOFPFPSSA-N 2 1 299.418 3.007 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000375401297 392778753 /nfs/dbraw/zinc/77/87/53/392778753.db2.gz GGRBWDVXVZKFBQ-UHFFFAOYSA-N 2 1 281.403 3.129 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000375401297 392778758 /nfs/dbraw/zinc/77/87/58/392778758.db2.gz GGRBWDVXVZKFBQ-UHFFFAOYSA-N 2 1 281.403 3.129 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000375504448 392786692 /nfs/dbraw/zinc/78/66/92/392786692.db2.gz CUJJILFWPJWXII-UHFFFAOYSA-N 2 1 276.399 3.194 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000335511773 392796565 /nfs/dbraw/zinc/79/65/65/392796565.db2.gz JMHCBWBTKPPMRL-CMPLNLGQSA-N 2 1 270.779 3.272 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000486966288 542709545 /nfs/dbraw/zinc/70/95/45/542709545.db2.gz FVAZKPYYIUILHG-UHFFFAOYSA-N 2 1 293.480 3.375 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510654378 392806341 /nfs/dbraw/zinc/80/63/41/392806341.db2.gz XIAXEIOMOSKOME-KGLIPLIRSA-N 2 1 296.405 3.217 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647853434 392814881 /nfs/dbraw/zinc/81/48/81/392814881.db2.gz NLORTNJHKXVTDE-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCc1ccc(C(F)(F)F)cc1 ZINC000647853434 392814887 /nfs/dbraw/zinc/81/48/87/392814887.db2.gz NLORTNJHKXVTDE-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]2[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647879491 392820599 /nfs/dbraw/zinc/82/05/99/392820599.db2.gz ASKAWVGONPIVTO-KDOFPFPSSA-N 2 1 270.420 3.138 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](CC)c1ccccc1 ZINC000647878617 392820905 /nfs/dbraw/zinc/82/09/05/392820905.db2.gz UBBOOFTYFKTBDP-RDJZCZTQSA-N 2 1 260.425 3.459 20 0 CGADMP CCC(CC)[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647881150 392822702 /nfs/dbraw/zinc/82/27/02/392822702.db2.gz HVRLUBSNHPWPMW-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP Oc1ccc([C@@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647882056 392824203 /nfs/dbraw/zinc/82/42/03/392824203.db2.gz HBPBAUABQZAAJG-SFHVURJKSA-N 2 1 288.435 3.309 20 0 CGADMP c1cc2c(s1)CCC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647884576 392824225 /nfs/dbraw/zinc/82/42/25/392824225.db2.gz GXRXOQPNHAURMQ-UHFFFAOYSA-N 2 1 278.465 3.276 20 0 CGADMP CCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000647886811 392826305 /nfs/dbraw/zinc/82/63/05/392826305.db2.gz XMWYQYCEULDDKY-CVEARBPZSA-N 2 1 260.425 3.459 20 0 CGADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900386 392829067 /nfs/dbraw/zinc/82/90/67/392829067.db2.gz AHYNFQFJCULXKE-TVFCKZIOSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647890099 392829088 /nfs/dbraw/zinc/82/90/88/392829088.db2.gz QHZAJTYNJYJELR-IHRRRGAJSA-N 2 1 280.843 3.373 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC2CCC1CC2 ZINC000381831569 392915529 /nfs/dbraw/zinc/91/55/29/392915529.db2.gz GGQALNKVQNGNMZ-JPZDYKCISA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)CCc1nccs1 ZINC000647989629 392858477 /nfs/dbraw/zinc/85/84/77/392858477.db2.gz PMWWSMFAFHIGJI-UHFFFAOYSA-N 2 1 295.496 3.176 20 0 CGADMP FC1(F)CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336797373 392869446 /nfs/dbraw/zinc/86/94/46/392869446.db2.gz ZQSMOVOURQWKFU-MELADBBJSA-N 2 1 272.383 3.028 20 0 CGADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCc1cncn1C ZINC000519648932 392877571 /nfs/dbraw/zinc/87/75/71/392877571.db2.gz RYFHNANTUJOFTJ-GOEBONIOSA-N 2 1 263.429 3.253 20 0 CGADMP CC[C@H]1CCCC[C@H]1[N@H+](C)CCCc1c[nH+]cn1C ZINC000519648932 392877577 /nfs/dbraw/zinc/87/75/77/392877577.db2.gz RYFHNANTUJOFTJ-GOEBONIOSA-N 2 1 263.429 3.253 20 0 CGADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCc1c[nH+]cn1C ZINC000519648932 392877582 /nfs/dbraw/zinc/87/75/82/392877582.db2.gz RYFHNANTUJOFTJ-GOEBONIOSA-N 2 1 263.429 3.253 20 0 CGADMP CC(C)CC[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000519643422 392877948 /nfs/dbraw/zinc/87/79/48/392877948.db2.gz DKETZIIYCSJQEF-OAHLLOKOSA-N 2 1 263.429 3.253 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000519643422 392877954 /nfs/dbraw/zinc/87/79/54/392877954.db2.gz DKETZIIYCSJQEF-OAHLLOKOSA-N 2 1 263.429 3.253 20 0 CGADMP C[N@@H+](CCOC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513163979 542730966 /nfs/dbraw/zinc/73/09/66/542730966.db2.gz CMEQUIJHHYCZOW-SJPCQFCGSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+](CCOC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513163979 542730970 /nfs/dbraw/zinc/73/09/70/542730970.db2.gz CMEQUIJHHYCZOW-SJPCQFCGSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+](CCOC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513163979 542730971 /nfs/dbraw/zinc/73/09/71/542730971.db2.gz CMEQUIJHHYCZOW-SJPCQFCGSA-N 2 1 294.483 3.283 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000514084495 542733897 /nfs/dbraw/zinc/73/38/97/542733897.db2.gz QEWQUKQUDYKNMT-MOPGFXCFSA-N 2 1 286.463 3.459 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000514084495 542733902 /nfs/dbraw/zinc/73/39/02/542733902.db2.gz QEWQUKQUDYKNMT-MOPGFXCFSA-N 2 1 286.463 3.459 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000459790123 392955588 /nfs/dbraw/zinc/95/55/88/392955588.db2.gz QUVOIXUXNYFHEZ-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340471424 392973419 /nfs/dbraw/zinc/97/34/19/392973419.db2.gz WONXSWICQPDXIV-BPUTZDHNSA-N 2 1 264.388 3.160 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340471424 392973422 /nfs/dbraw/zinc/97/34/22/392973422.db2.gz WONXSWICQPDXIV-BPUTZDHNSA-N 2 1 264.388 3.160 20 0 CGADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)CC[C@H]1CCCC[NH+]1C ZINC000340281633 392968799 /nfs/dbraw/zinc/96/87/99/392968799.db2.gz WTRSPSXSKFHQEN-MSOLQXFVSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)[NH+]1CCCC[C@H]1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000340281633 392968802 /nfs/dbraw/zinc/96/88/02/392968802.db2.gz WTRSPSXSKFHQEN-MSOLQXFVSA-N 2 1 295.515 3.056 20 0 CGADMP CC(C)[NH+]1CCCC[C@H]1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000340281633 392968806 /nfs/dbraw/zinc/96/88/06/392968806.db2.gz WTRSPSXSKFHQEN-MSOLQXFVSA-N 2 1 295.515 3.056 20 0 CGADMP c1ccc2c(c1)CCC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000648410338 393004478 /nfs/dbraw/zinc/00/44/78/393004478.db2.gz ZWPJTXSTGZWSHG-GOSISDBHSA-N 2 1 284.447 3.150 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](CC)CC)CCO1 ZINC000648416087 393005906 /nfs/dbraw/zinc/00/59/06/393005906.db2.gz NTIKDABHUGMVCI-GVDBMIGSSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000546932236 393082650 /nfs/dbraw/zinc/08/26/50/393082650.db2.gz TYULPGUGNBPWRX-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000546932236 393082659 /nfs/dbraw/zinc/08/26/59/393082659.db2.gz TYULPGUGNBPWRX-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000546932236 393082666 /nfs/dbraw/zinc/08/26/66/393082666.db2.gz TYULPGUGNBPWRX-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415002566 393087304 /nfs/dbraw/zinc/08/73/04/393087304.db2.gz DWCGMBGIXSKCKQ-CABCVRRESA-N 2 1 268.404 3.487 20 0 CGADMP Cc1ccc(COc2ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc2)cc1 ZINC000415009612 393093498 /nfs/dbraw/zinc/09/34/98/393093498.db2.gz FZVIKRHJSPOWQZ-CVEARBPZSA-N 2 1 298.430 3.399 20 0 CGADMP CC1CCC([N@@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347001752 393098141 /nfs/dbraw/zinc/09/81/41/393098141.db2.gz HSNZXVYCSUDGQZ-FPQWYMTMSA-N 2 1 294.483 3.046 20 0 CGADMP c1ccc(Sc2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC000415029879 393103068 /nfs/dbraw/zinc/10/30/68/393103068.db2.gz DFZGSQFKVIWPTD-PIIMJCKOSA-N 2 1 296.439 3.145 20 0 CGADMP C[C@H]1C[C@H](NCc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648465000 393034910 /nfs/dbraw/zinc/03/49/10/393034910.db2.gz NJNIVFKZUFYGPF-GXFFZTMASA-N 2 1 293.798 3.054 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CCN1C ZINC000648465000 393034912 /nfs/dbraw/zinc/03/49/12/393034912.db2.gz NJNIVFKZUFYGPF-GXFFZTMASA-N 2 1 293.798 3.054 20 0 CGADMP CCn1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000246867734 393066643 /nfs/dbraw/zinc/06/66/43/393066643.db2.gz DGSBVPUSRSTWEF-CVEARBPZSA-N 2 1 292.471 3.066 20 0 CGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414963082 393069082 /nfs/dbraw/zinc/06/90/82/393069082.db2.gz CONRLPWSAPYWRW-ZDUSSCGKSA-N 2 1 287.234 3.471 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000247056431 393070141 /nfs/dbraw/zinc/07/01/41/393070141.db2.gz MJIOXZXGAVWEAO-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)cs1)C1CCCC1 ZINC000415044256 393111114 /nfs/dbraw/zinc/11/11/14/393111114.db2.gz BOFZIXVFDNEILN-LBPRGKRZSA-N 2 1 258.818 3.009 20 0 CGADMP Cc1nc2ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc2s1 ZINC000415050870 393112699 /nfs/dbraw/zinc/11/26/99/393112699.db2.gz DHXAPISPOJCLRX-CQSZACIVSA-N 2 1 277.437 3.068 20 0 CGADMP CC[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000348251885 393117422 /nfs/dbraw/zinc/11/74/22/393117422.db2.gz ZYEMWWGDXLAKFK-RCCFBDPRSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415059475 393119145 /nfs/dbraw/zinc/11/91/45/393119145.db2.gz WZFNGLFDWKCHOB-BPQIPLTHSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415060178 393122119 /nfs/dbraw/zinc/12/21/19/393122119.db2.gz YIPWLEWNWYJFDV-HIFRSBDPSA-N 2 1 293.480 3.231 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415060178 393122123 /nfs/dbraw/zinc/12/21/23/393122123.db2.gz YIPWLEWNWYJFDV-HIFRSBDPSA-N 2 1 293.480 3.231 20 0 CGADMP c1ccc(OC2CCCC2)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415064054 393124142 /nfs/dbraw/zinc/12/41/42/393124142.db2.gz BOHIMPSGPVLZCS-UHFFFAOYSA-N 2 1 288.435 3.240 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415068997 393126301 /nfs/dbraw/zinc/12/63/01/393126301.db2.gz RZCNYKHUNLDXIU-GOSISDBHSA-N 2 1 274.452 3.460 20 0 CGADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252711357 393127067 /nfs/dbraw/zinc/12/70/67/393127067.db2.gz JIMJLIPHKYEQKL-VYDXJSESSA-N 2 1 274.383 3.029 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1CCCC1 ZINC000415072313 393129747 /nfs/dbraw/zinc/12/97/47/393129747.db2.gz XTMUADMNGZRLDZ-AWEZNQCLSA-N 2 1 270.779 3.086 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1C[NH3+] ZINC000415103214 393144674 /nfs/dbraw/zinc/14/46/74/393144674.db2.gz CULRSVAJNQFTBO-CRAIPNDOSA-N 2 1 295.430 3.165 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000415115106 393149162 /nfs/dbraw/zinc/14/91/62/393149162.db2.gz UECRTFNEZXSNTL-BPQIPLTHSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000415115306 393149483 /nfs/dbraw/zinc/14/94/83/393149483.db2.gz DNCREPKTUANTIX-FZMZJTMJSA-N 2 1 254.805 3.364 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1C[NH3+] ZINC000415120570 393151126 /nfs/dbraw/zinc/15/11/26/393151126.db2.gz GLPLOFUSQQQCKB-DNVCBOLYSA-N 2 1 295.430 3.165 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)c(C)s1 ZINC000415126711 393153668 /nfs/dbraw/zinc/15/36/68/393153668.db2.gz UYODWUJLKHEDHO-AAEUAGOBSA-N 2 1 254.443 3.389 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415138762 393156263 /nfs/dbraw/zinc/15/62/63/393156263.db2.gz ZCVHZQXCSZJLCC-UKRRQHHQSA-N 2 1 278.465 3.215 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000270542336 393237862 /nfs/dbraw/zinc/23/78/62/393237862.db2.gz XPFFGRGKKOGJDP-CQSZACIVSA-N 2 1 294.389 3.129 20 0 CGADMP CCC[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000271906534 393255163 /nfs/dbraw/zinc/25/51/63/393255163.db2.gz RIBWTVCPVSQHRG-SFHVURJKSA-N 2 1 272.436 3.422 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCC[C@@H](C)O)CC1)CC(C)C ZINC000355271312 393285980 /nfs/dbraw/zinc/28/59/80/393285980.db2.gz GBMZWVWHXWNVSG-QGZVFWFLSA-N 2 1 298.515 3.227 20 0 CGADMP Cc1ccoc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000355277866 393286872 /nfs/dbraw/zinc/28/68/72/393286872.db2.gz IWSGGSZQKIPYER-QZTJIDSGSA-N 2 1 296.414 3.152 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1 ZINC000275259203 393294049 /nfs/dbraw/zinc/29/40/49/393294049.db2.gz JOJMOCKLNXTNQU-SWLSCSKDSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1 ZINC000275259203 393294052 /nfs/dbraw/zinc/29/40/52/393294052.db2.gz JOJMOCKLNXTNQU-SWLSCSKDSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)cc1 ZINC000275259203 393294056 /nfs/dbraw/zinc/29/40/56/393294056.db2.gz JOJMOCKLNXTNQU-SWLSCSKDSA-N 2 1 266.816 3.112 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000275259203 393294061 /nfs/dbraw/zinc/29/40/61/393294061.db2.gz JOJMOCKLNXTNQU-SWLSCSKDSA-N 2 1 266.816 3.112 20 0 CGADMP CCc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000471221322 393277877 /nfs/dbraw/zinc/27/78/77/393277877.db2.gz SWYCSBDLASCFCH-QFBILLFUSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000471221322 393277883 /nfs/dbraw/zinc/27/78/83/393277883.db2.gz SWYCSBDLASCFCH-QFBILLFUSA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000471221322 393277890 /nfs/dbraw/zinc/27/78/90/393277890.db2.gz SWYCSBDLASCFCH-QFBILLFUSA-N 2 1 288.479 3.454 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000475362167 393395701 /nfs/dbraw/zinc/39/57/01/393395701.db2.gz UBWHKNZHLHKZAV-BZUAXINKSA-N 2 1 262.441 3.499 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000474628450 393341503 /nfs/dbraw/zinc/34/15/03/393341503.db2.gz STRLWOAIWAKPPM-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000474628450 393341508 /nfs/dbraw/zinc/34/15/08/393341508.db2.gz STRLWOAIWAKPPM-YESZJQIVSA-N 2 1 296.499 3.292 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000420385144 393480442 /nfs/dbraw/zinc/48/04/42/393480442.db2.gz FGJAOUDYVGCURS-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP c1ccc(CCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420392022 393482346 /nfs/dbraw/zinc/48/23/46/393482346.db2.gz IUEWEAQOUOVYTR-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP C[N@@H+](CCOc1ccc(Cl)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000420301647 393456329 /nfs/dbraw/zinc/45/63/29/393456329.db2.gz IREXOTMNZLJOGJ-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP c1ccc(C[C@H]2CCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420309084 393458831 /nfs/dbraw/zinc/45/88/31/393458831.db2.gz SXVIXZQOOMVSDL-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP Clc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420318865 393462881 /nfs/dbraw/zinc/46/28/81/393462881.db2.gz PBVFXGBJDKHRAJ-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)C[C@H]21 ZINC000420316071 393463780 /nfs/dbraw/zinc/46/37/80/393463780.db2.gz XQDQERPZMYAZPP-MDNXKNQGSA-N 2 1 290.838 3.387 20 0 CGADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323640 393465038 /nfs/dbraw/zinc/46/50/38/393465038.db2.gz GMYGBVUKTGUSQY-MGPQQGTHSA-N 2 1 294.389 3.347 20 0 CGADMP Fc1cccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420320033 393466093 /nfs/dbraw/zinc/46/60/93/393466093.db2.gz QCWJRZVTNFOKKQ-AWEZNQCLSA-N 2 1 276.399 3.180 20 0 CGADMP Cc1ccc(C)c(OCCC[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000420359713 393471498 /nfs/dbraw/zinc/47/14/98/393471498.db2.gz KEIZAFTWLPLYRQ-INIZCTEOSA-N 2 1 278.440 3.035 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCc1ccc(Cl)cc1 ZINC000420358449 393472199 /nfs/dbraw/zinc/47/21/99/393472199.db2.gz ITDUKJHPQPVDHT-CQSZACIVSA-N 2 1 268.832 3.236 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000647248500 393411212 /nfs/dbraw/zinc/41/12/12/393411212.db2.gz CKKCXGJVJGLTIU-MJGOQNOKSA-N 2 1 298.405 3.261 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248901 393412559 /nfs/dbraw/zinc/41/25/59/393412559.db2.gz NQVHNIIHEFBTGN-BGTYHANMSA-N 2 1 272.436 3.110 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420407215 393484920 /nfs/dbraw/zinc/48/49/20/393484920.db2.gz OFSCRJHOIHDYSN-CZUORRHYSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420407215 393484926 /nfs/dbraw/zinc/48/49/26/393484926.db2.gz OFSCRJHOIHDYSN-CZUORRHYSA-N 2 1 299.418 3.067 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2C[C@@H]2C)CC1)CC1CC1 ZINC000488332614 393490309 /nfs/dbraw/zinc/49/03/09/393490309.db2.gz LYEQUJKHWZWFBZ-YJBOKZPZSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000488452241 393520088 /nfs/dbraw/zinc/52/00/88/393520088.db2.gz UQZCIIAOXISDFU-CTASWTNQSA-N 2 1 278.465 3.377 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000488452241 393520095 /nfs/dbraw/zinc/52/00/95/393520095.db2.gz UQZCIIAOXISDFU-CTASWTNQSA-N 2 1 278.465 3.377 20 0 CGADMP CC(C)CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000488465569 393523785 /nfs/dbraw/zinc/52/37/85/393523785.db2.gz OQCPBKLFHXNGED-UHFFFAOYSA-N 2 1 280.378 3.381 20 0 CGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCOC1 ZINC000358440346 393525397 /nfs/dbraw/zinc/52/53/97/393525397.db2.gz ACMGFIMCFZRIKB-HPFXQQBRSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000649701690 393548467 /nfs/dbraw/zinc/54/84/67/393548467.db2.gz KFPQLEFVQLYAKM-GOSISDBHSA-N 2 1 299.418 3.262 20 0 CGADMP C[C@](C[NH3+])([NH2+]Cc1ccccc1Oc1cccnc1)C1CC1 ZINC000430573633 393578276 /nfs/dbraw/zinc/57/82/76/393578276.db2.gz MJGWNBYKEQBKAA-GOSISDBHSA-N 2 1 297.402 3.091 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666769922 542814351 /nfs/dbraw/zinc/81/43/51/542814351.db2.gz HGINPRDZOZMFMG-WBVHZDCISA-N 2 1 260.425 3.048 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000666853145 542821019 /nfs/dbraw/zinc/82/10/19/542821019.db2.gz QPXYOVFYMYYQCE-KGLIPLIRSA-N 2 1 287.432 3.170 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000421320607 393604447 /nfs/dbraw/zinc/60/44/47/393604447.db2.gz AOWRVUSWFVODFM-AWEZNQCLSA-N 2 1 283.419 3.495 20 0 CGADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000430581388 393579142 /nfs/dbraw/zinc/57/91/42/393579142.db2.gz IUFAUMRCAVBGBG-ZDUSSCGKSA-N 2 1 293.455 3.355 20 0 CGADMP C(C[NH+]1CCC([NH2+]CC2CC2)CC1)OC1CCCCCC1 ZINC000430590525 393580861 /nfs/dbraw/zinc/58/08/61/393580861.db2.gz CWOCITZIDMTDEW-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432415403 393611086 /nfs/dbraw/zinc/61/10/86/393611086.db2.gz CGGREPFDSPUUBV-KURKYZTESA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432415403 393611089 /nfs/dbraw/zinc/61/10/89/393611089.db2.gz CGGREPFDSPUUBV-KURKYZTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432418152 393612134 /nfs/dbraw/zinc/61/21/34/393612134.db2.gz QJSNUDAJJZCFLH-RNONSGAXSA-N 2 1 296.499 3.289 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000360921767 393615994 /nfs/dbraw/zinc/61/59/94/393615994.db2.gz JCJLCUWVJQSYBW-ADAWSYLGSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000360921767 393615997 /nfs/dbraw/zinc/61/59/97/393615997.db2.gz JCJLCUWVJQSYBW-ADAWSYLGSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000422565748 393641121 /nfs/dbraw/zinc/64/11/21/393641121.db2.gz ZYUHKNMVWXTUHT-MBNYWOFBSA-N 2 1 298.377 3.093 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC[NH2+]1 ZINC000423364901 393663712 /nfs/dbraw/zinc/66/37/12/393663712.db2.gz BMLFUMTXUPJWRY-MPPDQPJWSA-N 2 1 282.478 3.404 20 0 CGADMP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000425349296 393692133 /nfs/dbraw/zinc/69/21/33/393692133.db2.gz FJOYTJPEXSSLJE-LSDHHAIUSA-N 2 1 270.486 3.125 20 0 CGADMP Cc1ccccc1[C@]1(F)CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502919172 393887779 /nfs/dbraw/zinc/88/77/79/393887779.db2.gz LSWBEKSDWURMFP-AEFFLSMTSA-N 2 1 290.426 3.350 20 0 CGADMP FC1(F)CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000450595632 394027183 /nfs/dbraw/zinc/02/71/83/394027183.db2.gz FHKNWXHGDSWDSZ-OFQRWUPVSA-N 2 1 298.421 3.371 20 0 CGADMP FC1(F)CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000450595632 394027189 /nfs/dbraw/zinc/02/71/89/394027189.db2.gz FHKNWXHGDSWDSZ-OFQRWUPVSA-N 2 1 298.421 3.371 20 0 CGADMP FC1(F)CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000450595632 394027192 /nfs/dbraw/zinc/02/71/92/394027192.db2.gz FHKNWXHGDSWDSZ-OFQRWUPVSA-N 2 1 298.421 3.371 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC1=CCCCC1 ZINC000450597839 394026977 /nfs/dbraw/zinc/02/69/77/394026977.db2.gz ILFWOWHHOBCRQM-UHFFFAOYSA-N 2 1 261.413 3.404 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC1=CCCCC1 ZINC000450597839 394026979 /nfs/dbraw/zinc/02/69/79/394026979.db2.gz ILFWOWHHOBCRQM-UHFFFAOYSA-N 2 1 261.413 3.404 20 0 CGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000451405760 394044954 /nfs/dbraw/zinc/04/49/54/394044954.db2.gz ISQIWSIKDJSDFD-FRRDWIJNSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000451405760 394044956 /nfs/dbraw/zinc/04/49/56/394044956.db2.gz ISQIWSIKDJSDFD-FRRDWIJNSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000451405760 394044960 /nfs/dbraw/zinc/04/49/60/394044960.db2.gz ISQIWSIKDJSDFD-FRRDWIJNSA-N 2 1 278.362 3.134 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453080413 394164271 /nfs/dbraw/zinc/16/42/71/394164271.db2.gz LTZNZXSWBBITNQ-HIFRSBDPSA-N 2 1 296.480 3.244 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccncc1 ZINC000453087437 394166716 /nfs/dbraw/zinc/16/67/16/394166716.db2.gz PTDXBPBJEVBKLS-KRWDZBQOSA-N 2 1 273.424 3.139 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2ccncc2)CC1 ZINC000453096320 394169555 /nfs/dbraw/zinc/16/95/55/394169555.db2.gz ZENZCOLQEMTCDK-KRWDZBQOSA-N 2 1 275.440 3.387 20 0 CGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000453108975 394173537 /nfs/dbraw/zinc/17/35/37/394173537.db2.gz MAIKXAHCADUHDA-HZPDHXFCSA-N 2 1 284.488 3.028 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)[C@@H]2CCC[C@@H]21 ZINC000453257042 394222908 /nfs/dbraw/zinc/22/29/08/394222908.db2.gz UPLGACCTGVFCJG-AJNGGQMLSA-N 2 1 286.410 3.274 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453596973 394253433 /nfs/dbraw/zinc/25/34/33/394253433.db2.gz MQOWEAJRCPZFDV-GOEBONIOSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667652223 542906056 /nfs/dbraw/zinc/90/60/56/542906056.db2.gz WOJINFRTSPNKGE-CABCVRRESA-N 2 1 284.407 3.278 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667652223 542906058 /nfs/dbraw/zinc/90/60/58/542906058.db2.gz WOJINFRTSPNKGE-CABCVRRESA-N 2 1 284.407 3.278 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC(C)(C)C1 ZINC000667969423 542952090 /nfs/dbraw/zinc/95/20/90/542952090.db2.gz KKPYOBSCBWNYJF-CQSZACIVSA-N 2 1 284.407 3.135 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC(C)(C)C1 ZINC000667969423 542952092 /nfs/dbraw/zinc/95/20/92/542952092.db2.gz KKPYOBSCBWNYJF-CQSZACIVSA-N 2 1 284.407 3.135 20 0 CGADMP Cc1ncc(C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)n1C ZINC000668235542 542995714 /nfs/dbraw/zinc/99/57/14/542995714.db2.gz NKPUIIGNTPVJIY-ZWKOTPCHSA-N 2 1 283.419 3.497 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+][C@H](C)Cc1ccsc1 ZINC000668748369 543055477 /nfs/dbraw/zinc/05/54/77/543055477.db2.gz VCHPTHGGMMGEQB-CYBMUJFWSA-N 2 1 268.470 3.389 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+][C@H](C)Cc1ccsc1 ZINC000668748369 543055479 /nfs/dbraw/zinc/05/54/79/543055479.db2.gz VCHPTHGGMMGEQB-CYBMUJFWSA-N 2 1 268.470 3.389 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)[C@H](C)C1 ZINC000671715987 543179912 /nfs/dbraw/zinc/17/99/12/543179912.db2.gz YVIAENZFEYLNKP-CZUORRHYSA-N 2 1 272.392 3.253 20 0 CGADMP CN(c1cc[nH+]c2c(O)cccc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000672328797 543208850 /nfs/dbraw/zinc/20/88/50/543208850.db2.gz DRMJUKKYWYAHPX-PBWFPOADSA-N 2 1 297.402 3.002 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302318635 397676446 /nfs/dbraw/zinc/67/64/46/397676446.db2.gz QDZQAYQDHFMLLG-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000395888018 397696794 /nfs/dbraw/zinc/69/67/94/397696794.db2.gz LBBWMHHAKDPUIA-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc3ccccc3s1)C2 ZINC000650709395 397898037 /nfs/dbraw/zinc/89/80/37/397898037.db2.gz XZGAFSZBBQKIDZ-YOEHRIQHSA-N 2 1 286.444 3.462 20 0 CGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000650711113 397899044 /nfs/dbraw/zinc/89/90/44/397899044.db2.gz IWOLWWCTAHFMOT-HIFRSBDPSA-N 2 1 295.496 3.291 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCC2CCCCC2)C1 ZINC000650724133 397902613 /nfs/dbraw/zinc/90/26/13/397902613.db2.gz YPROEEFAFLLPLA-KURKYZTESA-N 2 1 294.483 3.318 20 0 CGADMP CC[C@H](OCC[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000650742493 397904978 /nfs/dbraw/zinc/90/49/78/397904978.db2.gz YWGRKDDHQDGYCF-KSSFIOAISA-N 2 1 299.418 3.313 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000675638135 543349933 /nfs/dbraw/zinc/34/99/33/543349933.db2.gz QUSGPVIGZPSDEE-KBPBESRZSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC000675740480 543359348 /nfs/dbraw/zinc/35/93/48/543359348.db2.gz KWHMUQIREAFUIS-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675901575 543371920 /nfs/dbraw/zinc/37/19/20/543371920.db2.gz IZFLXINTQVPPAL-MGPQQGTHSA-N 2 1 266.454 3.142 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675901575 543371924 /nfs/dbraw/zinc/37/19/24/543371924.db2.gz IZFLXINTQVPPAL-MGPQQGTHSA-N 2 1 266.454 3.142 20 0 CGADMP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000676644510 543409204 /nfs/dbraw/zinc/40/92/04/543409204.db2.gz WQDGVCPMCZOJNM-YWOMLXPBSA-N 2 1 274.383 3.055 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000676839003 543421082 /nfs/dbraw/zinc/42/10/82/543421082.db2.gz ISIUIFPXNKEWJC-WDEREUQCSA-N 2 1 292.452 3.252 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239981 543441481 /nfs/dbraw/zinc/44/14/81/543441481.db2.gz CFRGHJGBNJHAQY-COXVUDFISA-N 2 1 276.399 3.146 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C1CC1)C1CCCCC1 ZINC000677817854 543467420 /nfs/dbraw/zinc/46/74/20/543467420.db2.gz BUTZXAIZZTYRDM-UHFFFAOYSA-N 2 1 261.413 3.379 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C1CC1)C1CCCCC1 ZINC000677817854 543467421 /nfs/dbraw/zinc/46/74/21/543467421.db2.gz BUTZXAIZZTYRDM-UHFFFAOYSA-N 2 1 261.413 3.379 20 0 CGADMP C[N@@H+](Cc1nccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000678154050 543489431 /nfs/dbraw/zinc/48/94/31/543489431.db2.gz XRQGWPMGMOMJMH-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[N@H+](Cc1nccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000678154050 543489433 /nfs/dbraw/zinc/48/94/33/543489433.db2.gz XRQGWPMGMOMJMH-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1nccc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000678154050 543489436 /nfs/dbraw/zinc/48/94/36/543489436.db2.gz XRQGWPMGMOMJMH-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1nccc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000678154050 543489438 /nfs/dbraw/zinc/48/94/38/543489438.db2.gz XRQGWPMGMOMJMH-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000122487357 286048931 /nfs/dbraw/zinc/04/89/31/286048931.db2.gz VBXVFHIJGQPCKE-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)[C@@H](C)C1 ZINC000487268161 286064748 /nfs/dbraw/zinc/06/47/48/286064748.db2.gz FZSDFLVZJRHBHG-YVSFHVDLSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)(C[N@H+]1CCC[C@H](n2ccnc2)C1)c1ccccc1 ZINC000678822154 543563250 /nfs/dbraw/zinc/56/32/50/543563250.db2.gz FFBJJVUGGZNUTM-KRWDZBQOSA-N 2 1 283.419 3.498 20 0 CGADMP Fc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000679013670 543581952 /nfs/dbraw/zinc/58/19/52/543581952.db2.gz MAUYZTGNIPUHMX-IRXDYDNUSA-N 2 1 288.410 3.421 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000342575521 298377578 /nfs/dbraw/zinc/37/75/78/298377578.db2.gz KLHCGCPCUWUTJJ-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000342575521 298377580 /nfs/dbraw/zinc/37/75/80/298377580.db2.gz KLHCGCPCUWUTJJ-CVEARBPZSA-N 2 1 284.488 3.292 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062077740 286960062 /nfs/dbraw/zinc/96/00/62/286960062.db2.gz QTHIHHPLXTXYJZ-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000088163919 287014260 /nfs/dbraw/zinc/01/42/60/287014260.db2.gz XKUBCSDLRZUJRH-OHRKKDJYSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000088163919 287014264 /nfs/dbraw/zinc/01/42/64/287014264.db2.gz XKUBCSDLRZUJRH-OHRKKDJYSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCC1 ZINC000246826609 287022536 /nfs/dbraw/zinc/02/25/36/287022536.db2.gz BKAROPLILZATLU-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP Fc1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076446346 287033736 /nfs/dbraw/zinc/03/37/36/287033736.db2.gz LKDQBAJQRYTJKH-QGZVFWFLSA-N 2 1 298.405 3.437 20 0 CGADMP Fc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446346 287033738 /nfs/dbraw/zinc/03/37/38/287033738.db2.gz LKDQBAJQRYTJKH-QGZVFWFLSA-N 2 1 298.405 3.437 20 0 CGADMP C[N@H+](CCOc1ccccc1F)CC[C@H]1CCCC[NH+]1C ZINC000075860377 165106206 /nfs/dbraw/zinc/10/62/06/165106206.db2.gz DYDYYAVXOBYSDW-OAHLLOKOSA-N 2 1 294.414 3.011 20 0 CGADMP C[N@@H+](CCOc1ccccc1F)CC[C@H]1CCCC[NH+]1C ZINC000075860377 165106207 /nfs/dbraw/zinc/10/62/07/165106207.db2.gz DYDYYAVXOBYSDW-OAHLLOKOSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1ccccc1F)CC[C@H]1CCCC[N@@H+]1C ZINC000075860377 165106208 /nfs/dbraw/zinc/10/62/08/165106208.db2.gz DYDYYAVXOBYSDW-OAHLLOKOSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1ccccc1F)CC[C@H]1CCCC[N@H+]1C ZINC000075860377 165106209 /nfs/dbraw/zinc/10/62/09/165106209.db2.gz DYDYYAVXOBYSDW-OAHLLOKOSA-N 2 1 294.414 3.011 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749436 165218196 /nfs/dbraw/zinc/21/81/96/165218196.db2.gz BYGSOUFHPVBSNY-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000090469150 165235374 /nfs/dbraw/zinc/23/53/74/165235374.db2.gz GLYIVTAEYDYJSC-JZXOWHBKSA-N 2 1 274.452 3.164 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC000092165907 165283396 /nfs/dbraw/zinc/28/33/96/165283396.db2.gz ZENMUSICRYYYBR-UHFFFAOYSA-N 2 1 252.427 3.054 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC000092165907 165283399 /nfs/dbraw/zinc/28/33/99/165283399.db2.gz ZENMUSICRYYYBR-UHFFFAOYSA-N 2 1 252.427 3.054 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000092739428 165313931 /nfs/dbraw/zinc/31/39/31/165313931.db2.gz DHIBTMARUHOWLD-OAGGEKHMSA-N 2 1 275.440 3.100 20 0 CGADMP c1csc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683485 165335714 /nfs/dbraw/zinc/33/57/14/165335714.db2.gz PMLORPRUCQISDD-CQSZACIVSA-N 2 1 264.438 3.056 20 0 CGADMP c1csc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683485 165335716 /nfs/dbraw/zinc/33/57/16/165335716.db2.gz PMLORPRUCQISDD-CQSZACIVSA-N 2 1 264.438 3.056 20 0 CGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000094970080 165397734 /nfs/dbraw/zinc/39/77/34/165397734.db2.gz WPPNVPAQQSUROB-GFCCVEGCSA-N 2 1 281.469 3.001 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000096630411 165399594 /nfs/dbraw/zinc/39/95/94/165399594.db2.gz DPYZZLSEPIZJCO-AWEZNQCLSA-N 2 1 258.409 3.212 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cscn1 ZINC000536626159 288489371 /nfs/dbraw/zinc/48/93/71/288489371.db2.gz GSUFCQIWHOTTQZ-LBPRGKRZSA-N 2 1 275.421 3.056 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCC2CCCC2)CC1 ZINC000119605591 287171654 /nfs/dbraw/zinc/17/16/54/287171654.db2.gz YJISQSPKGMNJOT-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)c2ccccc2)C1 ZINC000284408560 196048145 /nfs/dbraw/zinc/04/81/45/196048145.db2.gz NUHGYQWTHXJEDT-WMZOPIPTSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000284408560 196048147 /nfs/dbraw/zinc/04/81/47/196048147.db2.gz NUHGYQWTHXJEDT-WMZOPIPTSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000284408560 196048149 /nfs/dbraw/zinc/04/81/49/196048149.db2.gz NUHGYQWTHXJEDT-WMZOPIPTSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000020124172 171006055 /nfs/dbraw/zinc/00/60/55/171006055.db2.gz ZKMMJCNFFSLJOX-LBPRGKRZSA-N 2 1 266.816 3.475 20 0 CGADMP c1c2ccccc2oc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000020128871 171016546 /nfs/dbraw/zinc/01/65/46/171016546.db2.gz BYBNQKLMVWMHCI-UHFFFAOYSA-N 2 1 272.392 3.398 20 0 CGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](CCC)CC2)cc1 ZINC000020190080 171056785 /nfs/dbraw/zinc/05/67/85/171056785.db2.gz ZZDQHTLGTFRSEW-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449081728 287267197 /nfs/dbraw/zinc/26/71/97/287267197.db2.gz HMCDQAIBGKMJTH-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000126580776 287268183 /nfs/dbraw/zinc/26/81/83/287268183.db2.gz YSHGQDULZRQWHK-OAHLLOKOSA-N 2 1 290.451 3.177 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285484399 196300454 /nfs/dbraw/zinc/30/04/54/196300454.db2.gz LPBQWAFAWFGUGD-SJPCQFCGSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285484399 196300456 /nfs/dbraw/zinc/30/04/56/196300456.db2.gz LPBQWAFAWFGUGD-SJPCQFCGSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285484399 196300458 /nfs/dbraw/zinc/30/04/58/196300458.db2.gz LPBQWAFAWFGUGD-SJPCQFCGSA-N 2 1 272.436 3.360 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]c(C)cc3c2)[C@@H](C)C1 ZINC000285544599 196322114 /nfs/dbraw/zinc/32/21/14/196322114.db2.gz DMJWDKNJPHUJSP-GUYCJALGSA-N 2 1 285.435 3.296 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000037248838 173061040 /nfs/dbraw/zinc/06/10/40/173061040.db2.gz RJBHGLHNKKPSQJ-NSHDSACASA-N 2 1 297.240 3.194 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CSC)cc2)[C@@H](C)C1 ZINC000285714288 196374597 /nfs/dbraw/zinc/37/45/97/196374597.db2.gz PTKLPTBSWOFVQI-YOEHRIQHSA-N 2 1 292.492 3.370 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000285719786 196377322 /nfs/dbraw/zinc/37/73/22/196377322.db2.gz QCBZDZPWUCSSHT-RDJZCZTQSA-N 2 1 260.425 3.378 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127571895 287290721 /nfs/dbraw/zinc/29/07/21/287290721.db2.gz VGNPYPAPIFIACS-ZIAGYGMSSA-N 2 1 266.404 3.249 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000040500778 174296972 /nfs/dbraw/zinc/29/69/72/174296972.db2.gz IXGHRZMGPIVCCC-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040593013 174347363 /nfs/dbraw/zinc/34/73/63/174347363.db2.gz HWKGKIDXXLGJQM-CJNGLKHVSA-N 2 1 264.388 3.208 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000040620698 174354594 /nfs/dbraw/zinc/35/45/94/174354594.db2.gz WPKFXQSKKYHMLZ-AWEZNQCLSA-N 2 1 266.816 3.160 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000403006395 416548277 /nfs/dbraw/zinc/54/82/77/416548277.db2.gz QJIZDEWNILQIIK-XIRDDKMYSA-N 2 1 276.399 3.338 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404443639 416555456 /nfs/dbraw/zinc/55/54/56/416555456.db2.gz WCCDLMLGJKLSKX-PBHICJAKSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000130027146 287343784 /nfs/dbraw/zinc/34/37/84/287343784.db2.gz QQRHGIHDKDTNNC-ZBFHGGJFSA-N 2 1 260.425 3.037 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000680340944 543700418 /nfs/dbraw/zinc/70/04/18/543700418.db2.gz RVTSBQFTFVRMFP-AHCXZYCDSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+](CCOC(C)(C)C)Cc1cc(-n2ccnc2)cs1 ZINC000680328714 543697527 /nfs/dbraw/zinc/69/75/27/543697527.db2.gz LFRMLPMWRRMXCL-UHFFFAOYSA-N 2 1 293.436 3.181 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000680333056 543698788 /nfs/dbraw/zinc/69/87/88/543698788.db2.gz UIYQVDZNCLIYDZ-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@@H](NCc2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000130449185 287355922 /nfs/dbraw/zinc/35/59/22/287355922.db2.gz FXWPUDHEJJAVHR-ZYHUDNBSSA-N 2 1 282.790 3.194 20 0 CGADMP C[C@@H]1C[C@@H](NCc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000130449185 287355926 /nfs/dbraw/zinc/35/59/26/287355926.db2.gz FXWPUDHEJJAVHR-ZYHUDNBSSA-N 2 1 282.790 3.194 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2occc2c1 ZINC000334749403 225272802 /nfs/dbraw/zinc/27/28/02/225272802.db2.gz JXLQFQCXGGZNRU-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2occc2c1 ZINC000334749403 225272805 /nfs/dbraw/zinc/27/28/05/225272805.db2.gz JXLQFQCXGGZNRU-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2occc2c1 ZINC000334749403 225272807 /nfs/dbraw/zinc/27/28/07/225272807.db2.gz JXLQFQCXGGZNRU-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2occc2c1 ZINC000334749403 225272810 /nfs/dbraw/zinc/27/28/10/225272810.db2.gz JXLQFQCXGGZNRU-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC000130623155 287359711 /nfs/dbraw/zinc/35/97/11/287359711.db2.gz SZFMTAVZVWTXHV-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCCCCC2)CC[N@H+]1C ZINC000130623155 287359715 /nfs/dbraw/zinc/35/97/15/287359715.db2.gz SZFMTAVZVWTXHV-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000130623155 287359717 /nfs/dbraw/zinc/35/97/17/287359717.db2.gz SZFMTAVZVWTXHV-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000130623155 287359719 /nfs/dbraw/zinc/35/97/19/287359719.db2.gz SZFMTAVZVWTXHV-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP COc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000682069726 543818979 /nfs/dbraw/zinc/81/89/79/543818979.db2.gz HYZWYCXFRAMFHF-HOTGVXAUSA-N 2 1 290.451 3.257 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000682375637 543837861 /nfs/dbraw/zinc/83/78/61/543837861.db2.gz HXHWOEXNGXELRY-BMFZPTHFSA-N 2 1 263.429 3.242 20 0 CGADMP CCC(C)(C)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000131127487 287371279 /nfs/dbraw/zinc/37/12/79/287371279.db2.gz KGVSPUGHGDUXMD-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP CCC(C)(C)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000131127487 287371281 /nfs/dbraw/zinc/37/12/81/287371281.db2.gz KGVSPUGHGDUXMD-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H]2CCCC(C)(C)C2)CCCO1 ZINC000683344388 543910050 /nfs/dbraw/zinc/91/00/50/543910050.db2.gz SKSQUZIEURRRQH-SJORKVTESA-N 2 1 296.499 3.293 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000683141275 543898994 /nfs/dbraw/zinc/89/89/94/543898994.db2.gz AYXPRHXFUNBZPZ-QGZVFWFLSA-N 2 1 294.414 3.011 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000683141275 543898996 /nfs/dbraw/zinc/89/89/96/543898996.db2.gz AYXPRHXFUNBZPZ-QGZVFWFLSA-N 2 1 294.414 3.011 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683831024 543946398 /nfs/dbraw/zinc/94/63/98/543946398.db2.gz FHLYABCCUBWHIK-KRWDZBQOSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000683831024 543946399 /nfs/dbraw/zinc/94/63/99/543946399.db2.gz FHLYABCCUBWHIK-KRWDZBQOSA-N 2 1 297.446 3.399 20 0 CGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc2cnccc2c1 ZINC000683831615 543946637 /nfs/dbraw/zinc/94/66/37/543946637.db2.gz BFLUEIZSLOYILA-MOPGFXCFSA-N 2 1 295.430 3.293 20 0 CGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc2cnccc2c1 ZINC000683831615 543946641 /nfs/dbraw/zinc/94/66/41/543946641.db2.gz BFLUEIZSLOYILA-MOPGFXCFSA-N 2 1 295.430 3.293 20 0 CGADMP Cc1ccccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000684568113 544014508 /nfs/dbraw/zinc/01/45/08/544014508.db2.gz DQNBEYPVVFHRHQ-UHFFFAOYSA-N 2 1 281.403 3.102 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684376469 543988280 /nfs/dbraw/zinc/98/82/80/543988280.db2.gz ARTJSAVCBFMIOW-ZACQAIPSSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684376469 543988283 /nfs/dbraw/zinc/98/82/83/543988283.db2.gz ARTJSAVCBFMIOW-ZACQAIPSSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCN3CCC2CC3)C1 ZINC000685458586 544073557 /nfs/dbraw/zinc/07/35/57/544073557.db2.gz YEXVYKSTDWFAKM-OALUTQOASA-N 2 1 284.447 3.277 20 0 CGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000685471021 544079160 /nfs/dbraw/zinc/07/91/60/544079160.db2.gz NMUDYIRXUULQMO-CZUORRHYSA-N 2 1 284.407 3.339 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H]1CCOC1(C)C)C1CCCCC1 ZINC000652237690 418940828 /nfs/dbraw/zinc/94/08/28/418940828.db2.gz AAIRUFCUUCUGSI-INIZCTEOSA-N 2 1 282.472 3.188 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659868569 419022421 /nfs/dbraw/zinc/02/24/21/419022421.db2.gz PGSRXEXYUZGJGT-OWCLPIDISA-N 2 1 264.457 3.227 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000653777251 419083423 /nfs/dbraw/zinc/08/34/23/419083423.db2.gz YPXAKCQMGCMXQJ-MRXNPFEDSA-N 2 1 261.413 3.007 20 0 CGADMP CC1(C)CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655736327 419083856 /nfs/dbraw/zinc/08/38/56/419083856.db2.gz FUKJAAURODXLJJ-QGZVFWFLSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1F ZINC000665247872 419090018 /nfs/dbraw/zinc/09/00/18/419090018.db2.gz LECCKWQRGDOUGB-AWEZNQCLSA-N 2 1 250.361 3.138 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1csc(Cl)c1 ZINC000665248077 419091212 /nfs/dbraw/zinc/09/12/12/419091212.db2.gz OJAGZQXBCUCNSR-VIFPVBQESA-N 2 1 258.818 3.324 20 0 CGADMP CC[C@@H](CC(F)F)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000660166734 419092321 /nfs/dbraw/zinc/09/23/21/419092321.db2.gz DYKRJSRUOWCOAN-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000660166734 419092324 /nfs/dbraw/zinc/09/23/24/419092324.db2.gz DYKRJSRUOWCOAN-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP CC[C@@H](CC(F)F)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000660166734 419092334 /nfs/dbraw/zinc/09/23/34/419092334.db2.gz DYKRJSRUOWCOAN-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP CC[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772107 419092978 /nfs/dbraw/zinc/09/29/78/419092978.db2.gz AQFNYMUNTVLKQS-RYRKJORJSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000665274464 419098710 /nfs/dbraw/zinc/09/87/10/419098710.db2.gz QNYMTEHSGQMPDE-MXASKKJJSA-N 2 1 258.409 3.053 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cccs1 ZINC000660251683 419112306 /nfs/dbraw/zinc/11/23/06/419112306.db2.gz BEYMHIVKHNTGAI-CABCVRRESA-N 2 1 298.496 3.126 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cccs1 ZINC000660251683 419112308 /nfs/dbraw/zinc/11/23/08/419112308.db2.gz BEYMHIVKHNTGAI-CABCVRRESA-N 2 1 298.496 3.126 20 0 CGADMP Cc1ncncc1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000655695570 419067432 /nfs/dbraw/zinc/06/74/32/419067432.db2.gz NJDOOKZEACWHKI-AWEZNQCLSA-N 2 1 290.455 3.090 20 0 CGADMP Cc1ncncc1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000655695570 419067435 /nfs/dbraw/zinc/06/74/35/419067435.db2.gz NJDOOKZEACWHKI-AWEZNQCLSA-N 2 1 290.455 3.090 20 0 CGADMP CCC1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655714953 419074685 /nfs/dbraw/zinc/07/46/85/419074685.db2.gz GMNQOIKWNMYUPU-LEOMRAHMSA-N 2 1 294.483 3.046 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000660084296 419074986 /nfs/dbraw/zinc/07/49/86/419074986.db2.gz YCGMYHCVXCKAFV-BPQIPLTHSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000660084296 419074989 /nfs/dbraw/zinc/07/49/89/419074989.db2.gz YCGMYHCVXCKAFV-BPQIPLTHSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000660084296 419074992 /nfs/dbraw/zinc/07/49/92/419074992.db2.gz YCGMYHCVXCKAFV-BPQIPLTHSA-N 2 1 296.499 3.244 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000660465414 419148427 /nfs/dbraw/zinc/14/84/27/419148427.db2.gz YKEATDYCNMNVJS-ZDUSSCGKSA-N 2 1 262.388 3.086 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000656193615 419149083 /nfs/dbraw/zinc/14/90/83/419149083.db2.gz PBJRYLCEDBJUNP-MNEFBYGVSA-N 2 1 295.430 3.096 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cnc3ccccc3c1)C2 ZINC000660663633 419178582 /nfs/dbraw/zinc/17/85/82/419178582.db2.gz ONRVPGICAZDNLC-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cnc3ccccc3c1)C2 ZINC000660663633 419178585 /nfs/dbraw/zinc/17/85/85/419178585.db2.gz ONRVPGICAZDNLC-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000660663633 419178587 /nfs/dbraw/zinc/17/85/87/419178587.db2.gz ONRVPGICAZDNLC-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cnc3ccccc3c1)C2 ZINC000660663633 419178589 /nfs/dbraw/zinc/17/85/89/419178589.db2.gz ONRVPGICAZDNLC-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000660665633 419180146 /nfs/dbraw/zinc/18/01/46/419180146.db2.gz WVHDWECFLNCIMP-GBESFXJTSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000660665633 419180149 /nfs/dbraw/zinc/18/01/49/419180149.db2.gz WVHDWECFLNCIMP-GBESFXJTSA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000660665633 419180150 /nfs/dbraw/zinc/18/01/50/419180150.db2.gz WVHDWECFLNCIMP-GBESFXJTSA-N 2 1 284.447 3.208 20 0 CGADMP Cc1cc(C(F)(F)F)cc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000656605972 419185275 /nfs/dbraw/zinc/18/52/75/419185275.db2.gz IJLKZLKQYWERRB-MNOVXSKESA-N 2 1 273.302 3.091 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666079601 419187515 /nfs/dbraw/zinc/18/75/15/419187515.db2.gz ATHVKJUSTHUSMI-OAHLLOKOSA-N 2 1 292.854 3.271 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000657331184 419251918 /nfs/dbraw/zinc/25/19/18/419251918.db2.gz RGABLRHKAQCZKN-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ncc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)n1C ZINC000657363926 419260179 /nfs/dbraw/zinc/26/01/79/419260179.db2.gz DMXFHDSHIIEHGY-SECBINFHSA-N 2 1 281.762 3.372 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CO1 ZINC000657384538 419265809 /nfs/dbraw/zinc/26/58/09/419265809.db2.gz UFWSQSXUCIGABL-CGTJXYLNSA-N 2 1 290.451 3.054 20 0 CGADMP Clc1ccc2c(c1Cl)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000656787756 419219143 /nfs/dbraw/zinc/21/91/43/419219143.db2.gz UHQGAUDWFODHTN-UHFFFAOYSA-N 2 1 299.245 3.351 20 0 CGADMP C[C@H]1C[C@H](C[N@H+](Cc2ccccc2F)CC2CC2)CC[NH2+]1 ZINC000656792607 419222366 /nfs/dbraw/zinc/22/23/66/419222366.db2.gz TZTXQIHCGQURBK-GOEBONIOSA-N 2 1 290.426 3.426 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661578687 419274588 /nfs/dbraw/zinc/27/45/88/419274588.db2.gz RQWKSCKAHUMQEN-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661578687 419274590 /nfs/dbraw/zinc/27/45/90/419274590.db2.gz RQWKSCKAHUMQEN-QGZVFWFLSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1ccc2cc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)[nH]c2c1 ZINC000657492210 419292927 /nfs/dbraw/zinc/29/29/27/419292927.db2.gz UQQNHLBFCJQGLP-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP Cc1cc(C)cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000657625972 419315248 /nfs/dbraw/zinc/31/52/48/419315248.db2.gz LDFOSKYQGXWMBC-UHFFFAOYSA-N 2 1 269.392 3.054 20 0 CGADMP Cc1ccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)cc1C ZINC000657626901 419315965 /nfs/dbraw/zinc/31/59/65/419315965.db2.gz SCFXWQQICSGRAX-UHFFFAOYSA-N 2 1 283.419 3.097 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCCC[NH+]1C ZINC000662132260 419341357 /nfs/dbraw/zinc/34/13/57/419341357.db2.gz ATJFBCNMAZZAGE-VIYLOZMYSA-N 2 1 250.430 3.124 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCCC[N@@H+]1C ZINC000662132260 419341360 /nfs/dbraw/zinc/34/13/60/419341360.db2.gz ATJFBCNMAZZAGE-VIYLOZMYSA-N 2 1 250.430 3.124 20 0 CGADMP CC1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCCC[N@H+]1C ZINC000662132260 419341365 /nfs/dbraw/zinc/34/13/65/419341365.db2.gz ATJFBCNMAZZAGE-VIYLOZMYSA-N 2 1 250.430 3.124 20 0 CGADMP Clc1ccc2c(c1Cl)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000662299436 419388242 /nfs/dbraw/zinc/38/82/42/419388242.db2.gz PRNGRBJPLSNBQF-NSHDSACASA-N 2 1 299.245 3.351 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCCSCC1 ZINC000657848264 419388626 /nfs/dbraw/zinc/38/86/26/419388626.db2.gz MBPSXDHRRPOTJV-FZKCQIBNSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCCSCC1 ZINC000657848264 419388631 /nfs/dbraw/zinc/38/86/31/419388631.db2.gz MBPSXDHRRPOTJV-FZKCQIBNSA-N 2 1 284.513 3.228 20 0 CGADMP C(C[N@H+]1CCC[C@H](C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000662322336 419389891 /nfs/dbraw/zinc/38/98/91/419389891.db2.gz LRBBMRORLCSHTQ-RDJZCZTQSA-N 2 1 264.457 3.278 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000662314380 419390837 /nfs/dbraw/zinc/39/08/37/419390837.db2.gz CFXKBKMKWIOTNC-BXUZGUMPSA-N 2 1 281.469 3.099 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657873053 419397994 /nfs/dbraw/zinc/39/79/94/419397994.db2.gz RCMPOCYXSNBHDD-OAHLLOKOSA-N 2 1 288.426 3.318 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657873053 419397997 /nfs/dbraw/zinc/39/79/97/419397997.db2.gz RCMPOCYXSNBHDD-OAHLLOKOSA-N 2 1 288.426 3.318 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C(F)F)nc1 ZINC000657816224 419365938 /nfs/dbraw/zinc/36/59/38/419365938.db2.gz KAOLGGHRDYASKM-NSHDSACASA-N 2 1 285.382 3.258 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657830297 419377215 /nfs/dbraw/zinc/37/72/15/419377215.db2.gz HMAGJSQOVMKKGC-GFCCVEGCSA-N 2 1 285.382 3.400 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657830297 419377219 /nfs/dbraw/zinc/37/72/19/419377219.db2.gz HMAGJSQOVMKKGC-GFCCVEGCSA-N 2 1 285.382 3.400 20 0 CGADMP FC1(F)CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662277518 419381182 /nfs/dbraw/zinc/38/11/82/419381182.db2.gz VOBFUMFVHAQLQM-RBSFLKMASA-N 2 1 286.410 3.276 20 0 CGADMP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662274791 419381205 /nfs/dbraw/zinc/38/12/05/419381205.db2.gz MAMRJSVGNAZHOW-RCCFBDPRSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662274791 419381209 /nfs/dbraw/zinc/38/12/09/419381209.db2.gz MAMRJSVGNAZHOW-RCCFBDPRSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)CC(F)F ZINC000662277353 419382338 /nfs/dbraw/zinc/38/23/38/419382338.db2.gz PZXALURJABIODN-WCQYABFASA-N 2 1 262.388 3.165 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000662280129 419382464 /nfs/dbraw/zinc/38/24/64/419382464.db2.gz CTZOBAXAHPIZMF-DJIMGWMZSA-N 2 1 272.436 3.023 20 0 CGADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCCSCC2)([NH+](C)C)C1 ZINC000657845037 419385482 /nfs/dbraw/zinc/38/54/82/419385482.db2.gz PECOXOQCDYCYIO-OWCLPIDISA-N 2 1 284.513 3.372 20 0 CGADMP CCOC1CCC([NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000657847713 419385975 /nfs/dbraw/zinc/38/59/75/419385975.db2.gz FDEUGODHCBRJPQ-UZROPOIGSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000662283155 419386059 /nfs/dbraw/zinc/38/60/59/419386059.db2.gz LVQNYKQXWCJEBS-STQMWFEESA-N 2 1 274.399 3.132 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCCSCC2)([NH+](C)C)C1 ZINC000657845040 419386129 /nfs/dbraw/zinc/38/61/29/419386129.db2.gz PECOXOQCDYCYIO-PMPSAXMXSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000662299675 419387116 /nfs/dbraw/zinc/38/71/16/419387116.db2.gz URWACQRUTYXGGC-UHFFFAOYSA-N 2 1 292.426 3.199 20 0 CGADMP CC(C)c1ccc([C@@H](C)[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662307167 419387195 /nfs/dbraw/zinc/38/71/95/419387195.db2.gz WLLPVGUIBYMLJJ-TUBUQKNSSA-N 2 1 258.409 3.294 20 0 CGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662307167 419387199 /nfs/dbraw/zinc/38/71/99/419387199.db2.gz WLLPVGUIBYMLJJ-TUBUQKNSSA-N 2 1 258.409 3.294 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663347313 419568441 /nfs/dbraw/zinc/56/84/41/419568441.db2.gz KAPWNKUTPNBXMK-OAHLLOKOSA-N 2 1 278.465 3.268 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347105 419570285 /nfs/dbraw/zinc/57/02/85/419570285.db2.gz RCHAGJSYNZDDDM-SFHVURJKSA-N 2 1 272.436 3.207 20 0 CGADMP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463564 419615256 /nfs/dbraw/zinc/61/52/56/419615256.db2.gz ADHDJWQIQUBVOQ-HOTGVXAUSA-N 2 1 262.441 3.031 20 0 CGADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466028 419615662 /nfs/dbraw/zinc/61/56/62/419615662.db2.gz NENVFPJLNBFYGQ-RDJZCZTQSA-N 2 1 288.435 3.369 20 0 CGADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466028 419615669 /nfs/dbraw/zinc/61/56/69/419615669.db2.gz NENVFPJLNBFYGQ-RDJZCZTQSA-N 2 1 288.435 3.369 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000663466378 419621965 /nfs/dbraw/zinc/62/19/65/419621965.db2.gz RYKKIRQBCYCZCE-IWCQGFGOSA-N 2 1 264.457 3.133 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230474 419691326 /nfs/dbraw/zinc/69/13/26/419691326.db2.gz YWSMXZJDWSFPOJ-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230474 419691332 /nfs/dbraw/zinc/69/13/32/419691332.db2.gz YWSMXZJDWSFPOJ-ZFWWWQNUSA-N 2 1 250.430 3.172 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000663514448 419641489 /nfs/dbraw/zinc/64/14/89/419641489.db2.gz RKRUDCBQRZBZLK-WDEREUQCSA-N 2 1 274.330 3.006 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000658177408 419644950 /nfs/dbraw/zinc/64/49/50/419644950.db2.gz PSARTHPVSQAEMV-FUHWJXTLSA-N 2 1 274.452 3.166 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccoc1 ZINC000658201101 419655379 /nfs/dbraw/zinc/65/53/79/419655379.db2.gz QOGXKMWMVSYDKE-VQIMIIECSA-N 2 1 298.430 3.322 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000179403979 260046434 /nfs/dbraw/zinc/04/64/34/260046434.db2.gz NQYYTBIFODTWQH-ZDUSSCGKSA-N 2 1 261.413 3.235 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000179403979 260046436 /nfs/dbraw/zinc/04/64/36/260046436.db2.gz NQYYTBIFODTWQH-ZDUSSCGKSA-N 2 1 261.413 3.235 20 0 CGADMP COc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)ccc2c1 ZINC000319692948 262349346 /nfs/dbraw/zinc/34/93/46/262349346.db2.gz SOJGQQIRUVORKB-AUUYWEPGSA-N 2 1 298.430 3.278 20 0 CGADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000036996995 270028360 /nfs/dbraw/zinc/02/83/60/270028360.db2.gz IUNGRGJVDADTQQ-NNBWVPJWSA-N 2 1 274.452 3.028 20 0 CGADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000036996995 270028361 /nfs/dbraw/zinc/02/83/61/270028361.db2.gz IUNGRGJVDADTQQ-NNBWVPJWSA-N 2 1 274.452 3.028 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044534278 270036022 /nfs/dbraw/zinc/03/60/22/270036022.db2.gz UJKJGYTWEHJTNU-JSGCOSHPSA-N 2 1 266.454 3.357 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222805344 270086253 /nfs/dbraw/zinc/08/62/53/270086253.db2.gz YXSTYKIGYBFNHX-WWGRRREGSA-N 2 1 280.843 3.343 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222805344 270086254 /nfs/dbraw/zinc/08/62/54/270086254.db2.gz YXSTYKIGYBFNHX-WWGRRREGSA-N 2 1 280.843 3.343 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000224416829 270086620 /nfs/dbraw/zinc/08/66/20/270086620.db2.gz GXABWGVEIOMUCU-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000224416829 270086621 /nfs/dbraw/zinc/08/66/21/270086621.db2.gz GXABWGVEIOMUCU-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000322443782 270093573 /nfs/dbraw/zinc/09/35/73/270093573.db2.gz GFOUCBGRJJMQEE-MRXNPFEDSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000328137295 270095001 /nfs/dbraw/zinc/09/50/01/270095001.db2.gz YTBRAMAZTDRDCV-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000328137295 270095002 /nfs/dbraw/zinc/09/50/02/270095002.db2.gz YTBRAMAZTDRDCV-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000521257562 270101485 /nfs/dbraw/zinc/10/14/85/270101485.db2.gz MHERPHXDSYWVPA-BPUTZDHNSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000521257562 270101486 /nfs/dbraw/zinc/10/14/86/270101486.db2.gz MHERPHXDSYWVPA-BPUTZDHNSA-N 2 1 252.446 3.274 20 0 CGADMP CCOc1cccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527807172 270137199 /nfs/dbraw/zinc/13/71/99/270137199.db2.gz NDCHLIMPFADZQO-QGZVFWFLSA-N 2 1 288.435 3.192 20 0 CGADMP CCOc1cccc(CNC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527807172 270137200 /nfs/dbraw/zinc/13/72/00/270137200.db2.gz NDCHLIMPFADZQO-QGZVFWFLSA-N 2 1 288.435 3.192 20 0 CGADMP Cc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cs1 ZINC000527811817 270137991 /nfs/dbraw/zinc/13/79/91/270137991.db2.gz SLCMODKCXBXXOJ-HNNXBMFYSA-N 2 1 264.438 3.163 20 0 CGADMP Cc1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cs1 ZINC000527811817 270137992 /nfs/dbraw/zinc/13/79/92/270137992.db2.gz SLCMODKCXBXXOJ-HNNXBMFYSA-N 2 1 264.438 3.163 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CC12CC2 ZINC000527844188 270139159 /nfs/dbraw/zinc/13/91/59/270139159.db2.gz GPLOOLJNMBQZON-SOUVJXGZSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000527854175 270139891 /nfs/dbraw/zinc/13/98/91/270139891.db2.gz VMGCCEFJROKFJL-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC12CC2 ZINC000527888064 270142042 /nfs/dbraw/zinc/14/20/42/270142042.db2.gz QHGWQRPDJFCDOY-KLZNWCGWSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC12CC2 ZINC000527888063 270142112 /nfs/dbraw/zinc/14/21/12/270142112.db2.gz QHGWQRPDJFCDOY-IVSAIRAKSA-N 2 1 276.468 3.418 20 0 CGADMP Cc1ccncc1[C@@H](C)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528014265 270151386 /nfs/dbraw/zinc/15/13/86/270151386.db2.gz UIQQFGZBNIJDRD-ZBFHGGJFSA-N 2 1 273.424 3.058 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527357 270182383 /nfs/dbraw/zinc/18/23/83/270182383.db2.gz DASLJUAZJYRACF-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527357 270182384 /nfs/dbraw/zinc/18/23/84/270182384.db2.gz DASLJUAZJYRACF-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527357 270182385 /nfs/dbraw/zinc/18/23/85/270182385.db2.gz DASLJUAZJYRACF-RDTXWAMCSA-N 2 1 285.435 3.330 20 0 CGADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000530233618 270196963 /nfs/dbraw/zinc/19/69/63/270196963.db2.gz YSYQIYPVBZEMGD-HNNXBMFYSA-N 2 1 264.388 3.003 20 0 CGADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(F)ccc1F ZINC000530465594 270200413 /nfs/dbraw/zinc/20/04/13/270200413.db2.gz NRMBDDZEJZEWPP-MRXNPFEDSA-N 2 1 293.361 3.228 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000532212813 270214388 /nfs/dbraw/zinc/21/43/88/270214388.db2.gz TZKHRLAGTOCJOF-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000532212813 270214389 /nfs/dbraw/zinc/21/43/89/270214389.db2.gz TZKHRLAGTOCJOF-HZPDHXFCSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC1(C)C ZINC000346564213 274354956 /nfs/dbraw/zinc/35/49/56/274354956.db2.gz CMHZOVBGQYDWMQ-PVAVHDDUSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC1(C)C ZINC000346564213 274354959 /nfs/dbraw/zinc/35/49/59/274354959.db2.gz CMHZOVBGQYDWMQ-PVAVHDDUSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)CC[N@@H+]1C ZINC000334541865 274392116 /nfs/dbraw/zinc/39/21/16/274392116.db2.gz FCOKUKKKUSZSPK-KDOFPFPSSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)CC[N@H+]1C ZINC000334541865 274392117 /nfs/dbraw/zinc/39/21/17/274392117.db2.gz FCOKUKKKUSZSPK-KDOFPFPSSA-N 2 1 272.436 3.006 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc2ccccc12 ZINC000131713260 274399816 /nfs/dbraw/zinc/39/98/16/274399816.db2.gz LROOWQLGUCRAIK-VXGBXAGGSA-N 2 1 260.406 3.070 20 0 CGADMP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335566511 274880386 /nfs/dbraw/zinc/88/03/86/274880386.db2.gz CHCFEYYCPVOIDL-AWEZNQCLSA-N 2 1 285.218 3.322 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346843255 275068616 /nfs/dbraw/zinc/06/86/16/275068616.db2.gz XSDLOVUFWBKDSB-WMZOPIPTSA-N 2 1 272.436 3.256 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280805447 275068846 /nfs/dbraw/zinc/06/88/46/275068846.db2.gz LHLRPZVXQHIYDB-BRSBDYLESA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262541286 275068985 /nfs/dbraw/zinc/06/89/85/275068985.db2.gz RCXDDGIBKBMZCC-IFXJQAMLSA-N 2 1 290.410 3.440 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC000464793884 276072762 /nfs/dbraw/zinc/07/27/62/276072762.db2.gz UXECNCFWTHPVPM-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000464793884 276072763 /nfs/dbraw/zinc/07/27/63/276072763.db2.gz UXECNCFWTHPVPM-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000464793884 276072764 /nfs/dbraw/zinc/07/27/64/276072764.db2.gz UXECNCFWTHPVPM-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000513960148 276096179 /nfs/dbraw/zinc/09/61/79/276096179.db2.gz AZYFPORLLPEWAL-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000513960148 276096180 /nfs/dbraw/zinc/09/61/80/276096180.db2.gz AZYFPORLLPEWAL-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000173790689 276106352 /nfs/dbraw/zinc/10/63/52/276106352.db2.gz UQZUQOKZELIUFO-SFHVURJKSA-N 2 1 274.452 3.201 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000357009049 276149051 /nfs/dbraw/zinc/14/90/51/276149051.db2.gz QZMLPOGWOSRBLT-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000357009049 276149054 /nfs/dbraw/zinc/14/90/54/276149054.db2.gz QZMLPOGWOSRBLT-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000443641524 276180770 /nfs/dbraw/zinc/18/07/70/276180770.db2.gz LUGXOCPNQXBULI-VVLHAWIVSA-N 2 1 262.441 3.195 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000443641524 276180771 /nfs/dbraw/zinc/18/07/71/276180771.db2.gz LUGXOCPNQXBULI-VVLHAWIVSA-N 2 1 262.441 3.195 20 0 CGADMP CCC[N@@H+](CC1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000261556377 276252297 /nfs/dbraw/zinc/25/22/97/276252297.db2.gz BZJRFZBASDKRGW-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CCO1 ZINC000449383998 276519738 /nfs/dbraw/zinc/51/97/38/276519738.db2.gz LMRSKCDRPUIHJG-FGTMMUONSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[NH+]1CCCC1 ZINC000337992910 276569289 /nfs/dbraw/zinc/56/92/89/276569289.db2.gz FPWIMFSFJJUOJC-BZUAXINKSA-N 2 1 250.430 3.029 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000295197785 276892331 /nfs/dbraw/zinc/89/23/31/276892331.db2.gz YFUBPPANEMVVCD-ZDUSSCGKSA-N 2 1 283.366 3.063 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000290382718 277023188 /nfs/dbraw/zinc/02/31/88/277023188.db2.gz RUTZNRFDYGZYDA-GOSISDBHSA-N 2 1 295.430 3.397 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CS1 ZINC000488434651 277244626 /nfs/dbraw/zinc/24/46/26/277244626.db2.gz JPNSMBICPPEAAV-YJNKXOJESA-N 2 1 282.497 3.123 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CS1 ZINC000488434651 277244628 /nfs/dbraw/zinc/24/46/28/277244628.db2.gz JPNSMBICPPEAAV-YJNKXOJESA-N 2 1 282.497 3.123 20 0 CGADMP COC[C@H](CC(C)C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480599946 277259733 /nfs/dbraw/zinc/25/97/33/277259733.db2.gz FBFDXNFFUHNGAT-BBWFWOEESA-N 2 1 284.488 3.005 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423281990 277274806 /nfs/dbraw/zinc/27/48/06/277274806.db2.gz WAYIGAUAIMHMHL-JFGNBEQYSA-N 2 1 270.467 3.119 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090714605 277341489 /nfs/dbraw/zinc/34/14/89/277341489.db2.gz QUXNJLCNBOSJNN-BHUNQDJPSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC000437777532 277391943 /nfs/dbraw/zinc/39/19/43/277391943.db2.gz RTDHRJHXBUBICG-HNNXBMFYSA-N 2 1 254.462 3.380 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000353627221 277394423 /nfs/dbraw/zinc/39/44/23/277394423.db2.gz ZSRZSPAADZZSEM-BZUAXINKSA-N 2 1 270.436 3.225 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000353627221 277394425 /nfs/dbraw/zinc/39/44/25/277394425.db2.gz ZSRZSPAADZZSEM-BZUAXINKSA-N 2 1 270.436 3.225 20 0 CGADMP CSC1(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)CCC1 ZINC000356127373 278122425 /nfs/dbraw/zinc/12/24/25/278122425.db2.gz OBDZZVBERMUMMJ-CQSZACIVSA-N 2 1 270.486 3.078 20 0 CGADMP CSC1(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000356127373 278122426 /nfs/dbraw/zinc/12/24/26/278122426.db2.gz OBDZZVBERMUMMJ-CQSZACIVSA-N 2 1 270.486 3.078 20 0 CGADMP CSC1(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)CCC1 ZINC000356127373 278122428 /nfs/dbraw/zinc/12/24/28/278122428.db2.gz OBDZZVBERMUMMJ-CQSZACIVSA-N 2 1 270.486 3.078 20 0 CGADMP C[C@H](CC1CCOCC1)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000360004984 278167746 /nfs/dbraw/zinc/16/77/46/278167746.db2.gz DWKKRWIPUGBAQG-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCC1CC1 ZINC000346537587 278190104 /nfs/dbraw/zinc/19/01/04/278190104.db2.gz RTJOBKMTFNBANU-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCC1CC1 ZINC000346537587 278190105 /nfs/dbraw/zinc/19/01/05/278190105.db2.gz RTJOBKMTFNBANU-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000397250863 288022167 /nfs/dbraw/zinc/02/21/67/288022167.db2.gz DERHPMJCNRKNRY-KEYYUXOJSA-N 2 1 283.419 3.040 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000449784485 278220003 /nfs/dbraw/zinc/22/00/03/278220003.db2.gz XIZUJMPKMUJBFH-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000449784485 278220004 /nfs/dbraw/zinc/22/00/04/278220004.db2.gz XIZUJMPKMUJBFH-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](C)C1CCCCC1 ZINC000471764435 278260033 /nfs/dbraw/zinc/26/00/33/278260033.db2.gz XQBOEVKOBGVHNU-KGLIPLIRSA-N 2 1 263.429 3.157 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)c(Cl)c1 ZINC000424335900 278270951 /nfs/dbraw/zinc/27/09/51/278270951.db2.gz PQSLSEFZINJBSV-CUOATXAZSA-N 2 1 270.779 3.400 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000250907691 278283377 /nfs/dbraw/zinc/28/33/77/278283377.db2.gz SLXCHFGPCNHDJT-BPUTZDHNSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)(C)CC[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000188262471 278318852 /nfs/dbraw/zinc/31/88/52/278318852.db2.gz YQGYBSUDZHCYLT-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CCC1 ZINC000453106360 288075441 /nfs/dbraw/zinc/07/54/41/288075441.db2.gz IXLVGFLFIAUXNJ-CZUORRHYSA-N 2 1 263.429 3.386 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371591 288085336 /nfs/dbraw/zinc/08/53/36/288085336.db2.gz YLTBZGFIEFIWLG-RTBURBONSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371591 288085337 /nfs/dbraw/zinc/08/53/37/288085337.db2.gz YLTBZGFIEFIWLG-RTBURBONSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371591 288085339 /nfs/dbraw/zinc/08/53/39/288085339.db2.gz YLTBZGFIEFIWLG-RTBURBONSA-N 2 1 284.447 3.480 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451411920 279095772 /nfs/dbraw/zinc/09/57/72/279095772.db2.gz VWLCGEMZZLAAOA-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451411920 279095773 /nfs/dbraw/zinc/09/57/73/279095773.db2.gz VWLCGEMZZLAAOA-OLZOCXBDSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000359276266 279099652 /nfs/dbraw/zinc/09/96/52/279099652.db2.gz DBZIDIKDAILRGU-AWEZNQCLSA-N 2 1 295.446 3.274 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423262192 279142306 /nfs/dbraw/zinc/14/23/06/279142306.db2.gz LYSWCYKTVGPVQT-UKRRQHHQSA-N 2 1 266.816 3.290 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1(CCOC)CCCCC1 ZINC000189026402 279160360 /nfs/dbraw/zinc/16/03/60/279160360.db2.gz UEOGMMHOMSDUKP-MRXNPFEDSA-N 2 1 284.488 3.293 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000475362168 279161151 /nfs/dbraw/zinc/16/11/51/279161151.db2.gz UBWHKNZHLHKZAV-OAGGEKHMSA-N 2 1 262.441 3.499 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCC2(CC2)CC1)C1CCCCC1 ZINC000423261274 279634062 /nfs/dbraw/zinc/63/40/62/279634062.db2.gz JIZJFASPFKJDES-OAHLLOKOSA-N 2 1 250.430 3.206 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1CCCCC1 ZINC000423260376 279647342 /nfs/dbraw/zinc/64/73/42/279647342.db2.gz HFZULLBJBGJKCS-MLHJIOFPSA-N 2 1 294.483 3.079 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351848152 288155468 /nfs/dbraw/zinc/15/54/68/288155468.db2.gz CFQQCBIMJPHYGG-ZIBATOQPSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351848152 288155471 /nfs/dbraw/zinc/15/54/71/288155471.db2.gz CFQQCBIMJPHYGG-ZIBATOQPSA-N 2 1 268.351 3.085 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CCCC1(C)C)[NH+]1CCCC1 ZINC000094303784 279852905 /nfs/dbraw/zinc/85/29/05/279852905.db2.gz PHAUVMZHRPBQFL-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccn1 ZINC000527647370 288180778 /nfs/dbraw/zinc/18/07/78/288180778.db2.gz DRFOATPXIRMTLM-UHFFFAOYSA-N 2 1 287.451 3.134 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H](C)C1 ZINC000453396379 280009801 /nfs/dbraw/zinc/00/98/01/280009801.db2.gz IMVCOKJENKZZEC-FICVDOATSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1c2ccsc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000042781806 280135655 /nfs/dbraw/zinc/13/56/55/280135655.db2.gz BFQWWAHCDOJFBL-LBPRGKRZSA-N 2 1 264.438 3.057 20 0 CGADMP C[C@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919471 280136217 /nfs/dbraw/zinc/13/62/17/280136217.db2.gz VHGAIZASLVWKJE-STQMWFEESA-N 2 1 264.438 3.057 20 0 CGADMP CC(C)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000354085976 280335048 /nfs/dbraw/zinc/33/50/48/280335048.db2.gz LMBZCEYBGJZZBN-ZOBUZTSGSA-N 2 1 293.430 3.380 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529533694 288259385 /nfs/dbraw/zinc/25/93/85/288259385.db2.gz SPIOUPGVCLXXJW-UPJWGTAASA-N 2 1 274.399 3.130 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529533694 288259389 /nfs/dbraw/zinc/25/93/89/288259389.db2.gz SPIOUPGVCLXXJW-UPJWGTAASA-N 2 1 274.399 3.130 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529537850 288260375 /nfs/dbraw/zinc/26/03/75/288260375.db2.gz HPKQEULBWLLBHB-STQMWFEESA-N 2 1 274.399 3.130 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000361841337 281053084 /nfs/dbraw/zinc/05/30/84/281053084.db2.gz DATNNNQGKHPNRG-UHFFFAOYSA-N 2 1 272.436 3.229 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000361841337 281053087 /nfs/dbraw/zinc/05/30/87/281053087.db2.gz DATNNNQGKHPNRG-UHFFFAOYSA-N 2 1 272.436 3.229 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429534769 281058153 /nfs/dbraw/zinc/05/81/53/281058153.db2.gz FZACLNWWSWRJLP-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429534769 281058155 /nfs/dbraw/zinc/05/81/55/281058155.db2.gz FZACLNWWSWRJLP-HOTGVXAUSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)[C@@H](C)C2 ZINC000180029194 281116227 /nfs/dbraw/zinc/11/62/27/281116227.db2.gz BQQKGTTZRRBQPO-IFXJQAMLSA-N 2 1 284.447 3.445 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C)ccc1OC ZINC000530407263 288305162 /nfs/dbraw/zinc/30/51/62/288305162.db2.gz JBWIROLNJBPHGV-INIZCTEOSA-N 2 1 287.407 3.021 20 0 CGADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccsc1 ZINC000530407351 288305234 /nfs/dbraw/zinc/30/52/34/288305234.db2.gz RDOUPLXBFOFNIN-AWEZNQCLSA-N 2 1 263.410 3.155 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000331841442 281377416 /nfs/dbraw/zinc/37/74/16/281377416.db2.gz TYQODXRNVJTRDM-MGPQQGTHSA-N 2 1 262.397 3.153 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000531702538 288341137 /nfs/dbraw/zinc/34/11/37/288341137.db2.gz IMKPBRKSCORRGQ-XHSDSOJGSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1(C)C ZINC000531994204 288348892 /nfs/dbraw/zinc/34/88/92/288348892.db2.gz YWBCOHCBCDQCBL-VVLHAWIVSA-N 2 1 296.499 3.290 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532201234 288355094 /nfs/dbraw/zinc/35/50/94/288355094.db2.gz RERJJNYSGAVSRE-QGZVFWFLSA-N 2 1 258.409 3.212 20 0 CGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H]1C)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533432388 288381112 /nfs/dbraw/zinc/38/11/12/288381112.db2.gz ZKGBWZMRRKFEMM-DGXTUMSLSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H]1C)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000533432388 288381114 /nfs/dbraw/zinc/38/11/14/288381114.db2.gz ZKGBWZMRRKFEMM-DGXTUMSLSA-N 2 1 252.446 3.083 20 0 CGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H]1C)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000533432388 288381116 /nfs/dbraw/zinc/38/11/16/288381116.db2.gz ZKGBWZMRRKFEMM-DGXTUMSLSA-N 2 1 252.446 3.083 20 0 CGADMP CCC[N@@H+](CCC[NH+](CC)CC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000548918424 289029093 /nfs/dbraw/zinc/02/90/93/289029093.db2.gz RIKVWKZCRWOAOI-BBWFWOEESA-N 2 1 296.499 3.244 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000550887436 289088945 /nfs/dbraw/zinc/08/89/45/289088945.db2.gz QFNUABHYNFTTBT-JYJNAYRXSA-N 2 1 250.430 3.195 20 0 CGADMP CC1=CC[C@H]([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000550887436 289088948 /nfs/dbraw/zinc/08/89/48/289088948.db2.gz QFNUABHYNFTTBT-JYJNAYRXSA-N 2 1 250.430 3.195 20 0 CGADMP CCC1CC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000551778765 289131451 /nfs/dbraw/zinc/13/14/51/289131451.db2.gz IKFJSQQHTHLZPG-YHNBSYBMSA-N 2 1 264.457 3.418 20 0 CGADMP CCC1CC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000551791919 289133293 /nfs/dbraw/zinc/13/32/93/289133293.db2.gz YIGTVLYZUSHPMA-CUYAVPTFSA-N 2 1 286.463 3.329 20 0 CGADMP CS[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(C)(C)C ZINC000552066890 289158068 /nfs/dbraw/zinc/15/80/68/289158068.db2.gz TVHNQVAWWZGAOB-APIJFGDWSA-N 2 1 284.513 3.227 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554050351 289253630 /nfs/dbraw/zinc/25/36/30/289253630.db2.gz JRZYVBWAGRUUAY-NHMCJKAESA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554050351 289253631 /nfs/dbraw/zinc/25/36/31/289253631.db2.gz JRZYVBWAGRUUAY-NHMCJKAESA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H](CC[NH2+]CC1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555531396 289348428 /nfs/dbraw/zinc/34/84/28/289348428.db2.gz ZPGJQRQXUDIKOD-HNNXBMFYSA-N 2 1 260.425 3.287 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000556385497 289388794 /nfs/dbraw/zinc/38/87/94/289388794.db2.gz ITSVQLGROQTDAT-HNNXBMFYSA-N 2 1 254.462 3.236 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)[C@@H]2CCC[C@@H]21 ZINC000414192034 290213853 /nfs/dbraw/zinc/21/38/53/290213853.db2.gz SHGCMMVPDBVQEU-HGSUQPQSSA-N 2 1 286.410 3.273 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252853381 290215050 /nfs/dbraw/zinc/21/50/50/290215050.db2.gz JBKLZUCWTCNUHL-YXMPFFBPSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252853381 290215053 /nfs/dbraw/zinc/21/50/53/290215053.db2.gz JBKLZUCWTCNUHL-YXMPFFBPSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423398256 297286705 /nfs/dbraw/zinc/28/67/05/297286705.db2.gz VEGBWEMAKGPVPU-OSAQELSMSA-N 2 1 294.826 3.284 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423365156 302244329 /nfs/dbraw/zinc/24/43/29/302244329.db2.gz PGYITXGWPFHSMK-MXASKKJJSA-N 2 1 287.451 3.004 20 0 CGADMP [NH3+]CC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423193053 303383241 /nfs/dbraw/zinc/38/32/41/303383241.db2.gz WJACIKORWKYKQQ-ZIAGYGMSSA-N 2 1 286.341 3.280 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000563944450 322016000 /nfs/dbraw/zinc/01/60/00/322016000.db2.gz KAPCRVZJIKMDIN-CJNGLKHVSA-N 2 1 278.465 3.275 20 0 CGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000563998063 322017801 /nfs/dbraw/zinc/01/78/01/322017801.db2.gz QHXZFABSZCWJDQ-GJZGRUSLSA-N 2 1 296.405 3.388 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000564827716 322045547 /nfs/dbraw/zinc/04/55/47/322045547.db2.gz VAEUVUYRMYUUDF-ZYHUDNBSSA-N 2 1 270.779 3.272 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000565166386 322063864 /nfs/dbraw/zinc/06/38/64/322063864.db2.gz VNMIDIVOYUFEJS-KRWDZBQOSA-N 2 1 273.424 3.175 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000565166386 322063867 /nfs/dbraw/zinc/06/38/67/322063867.db2.gz VNMIDIVOYUFEJS-KRWDZBQOSA-N 2 1 273.424 3.175 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000565166386 322063870 /nfs/dbraw/zinc/06/38/70/322063870.db2.gz VNMIDIVOYUFEJS-KRWDZBQOSA-N 2 1 273.424 3.175 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000565432316 322077754 /nfs/dbraw/zinc/07/77/54/322077754.db2.gz ZLKBBRCWMHJOPZ-ZBFHGGJFSA-N 2 1 297.402 3.186 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000565432316 322077756 /nfs/dbraw/zinc/07/77/56/322077756.db2.gz ZLKBBRCWMHJOPZ-ZBFHGGJFSA-N 2 1 297.402 3.186 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566230101 322110567 /nfs/dbraw/zinc/11/05/67/322110567.db2.gz GVGILWICKMDTFE-HZPDHXFCSA-N 2 1 298.455 3.456 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000566415731 322120800 /nfs/dbraw/zinc/12/08/00/322120800.db2.gz DUCWPJNPLCBUBM-UHFFFAOYSA-N 2 1 283.419 3.028 20 0 CGADMP Cc1cc(C)c2c(c1)C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000566415731 322120803 /nfs/dbraw/zinc/12/08/03/322120803.db2.gz DUCWPJNPLCBUBM-UHFFFAOYSA-N 2 1 283.419 3.028 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000566796957 322138173 /nfs/dbraw/zinc/13/81/73/322138173.db2.gz PNADDCAOENSYPH-UWVGGRQHSA-N 2 1 281.450 3.087 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000566943737 322143934 /nfs/dbraw/zinc/14/39/34/322143934.db2.gz GKSIPTAQNMUADM-BMFZPTHFSA-N 2 1 252.446 3.297 20 0 CGADMP CC1=C[C@@H](C)C[C@H](C[NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000566943737 322143936 /nfs/dbraw/zinc/14/39/36/322143936.db2.gz GKSIPTAQNMUADM-BMFZPTHFSA-N 2 1 252.446 3.297 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000568404750 322207555 /nfs/dbraw/zinc/20/75/55/322207555.db2.gz KPTODZPAQSMIJQ-RCCFBDPRSA-N 2 1 272.436 3.266 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000568764379 322221824 /nfs/dbraw/zinc/22/18/24/322221824.db2.gz QHHMHVZWOZLLJX-CQSZACIVSA-N 2 1 263.429 3.111 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000568764379 322221826 /nfs/dbraw/zinc/22/18/26/322221826.db2.gz QHHMHVZWOZLLJX-CQSZACIVSA-N 2 1 263.429 3.111 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000568764379 322221828 /nfs/dbraw/zinc/22/18/28/322221828.db2.gz QHHMHVZWOZLLJX-CQSZACIVSA-N 2 1 263.429 3.111 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)C1CCCC1 ZINC000569349955 322244560 /nfs/dbraw/zinc/24/45/60/322244560.db2.gz HGSDGUPHJRCHMG-HZPDHXFCSA-N 2 1 278.827 3.434 20 0 CGADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@H]2CCCC[C@H]12 ZINC000570104123 322265115 /nfs/dbraw/zinc/26/51/15/322265115.db2.gz FZBHEHQVSFHWFC-OIISXLGYSA-N 2 1 275.440 3.253 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H]2CCCC[C@H]12 ZINC000570104123 322265116 /nfs/dbraw/zinc/26/51/16/322265116.db2.gz FZBHEHQVSFHWFC-OIISXLGYSA-N 2 1 275.440 3.253 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000570489052 322274717 /nfs/dbraw/zinc/27/47/17/322274717.db2.gz IJYGRSSTRZVVCU-ZJPYXAASSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000570489052 322274718 /nfs/dbraw/zinc/27/47/18/322274718.db2.gz IJYGRSSTRZVVCU-ZJPYXAASSA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2C=CCCCCC2)C1 ZINC000570502640 322275146 /nfs/dbraw/zinc/27/51/46/322275146.db2.gz HOGSHRXCCKSWIN-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000570502640 322275148 /nfs/dbraw/zinc/27/51/48/322275148.db2.gz HOGSHRXCCKSWIN-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000570502640 322275149 /nfs/dbraw/zinc/27/51/49/322275149.db2.gz HOGSHRXCCKSWIN-JKSUJKDBSA-N 2 1 250.430 3.149 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000571431238 322298729 /nfs/dbraw/zinc/29/87/29/322298729.db2.gz LLZJTAZVASHPDE-ZDUSSCGKSA-N 2 1 260.381 3.472 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000572264287 322328808 /nfs/dbraw/zinc/32/88/08/322328808.db2.gz HBEUYFHQYXLKBS-CYBMUJFWSA-N 2 1 277.437 3.206 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000572264287 322328811 /nfs/dbraw/zinc/32/88/11/322328811.db2.gz HBEUYFHQYXLKBS-CYBMUJFWSA-N 2 1 277.437 3.206 20 0 CGADMP CC1=CC[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000572503125 322340612 /nfs/dbraw/zinc/34/06/12/322340612.db2.gz IQTGIGPICSSHCM-IXDOHACOSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000572542084 322342527 /nfs/dbraw/zinc/34/25/27/322342527.db2.gz SLJZXMNMUVTRIG-UQPPLGOBSA-N 2 1 258.409 3.259 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000573228803 322377182 /nfs/dbraw/zinc/37/71/82/322377182.db2.gz AWLVGEUWZMUSMC-QRQLOZEOSA-N 2 1 298.474 3.489 20 0 CGADMP CC(C)C[C@H](C)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000583171754 329333054 /nfs/dbraw/zinc/33/30/54/329333054.db2.gz CUONGLSRFLKPDT-KRWDZBQOSA-N 2 1 296.499 3.293 20 0 CGADMP CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643229 330144931 /nfs/dbraw/zinc/14/49/31/330144931.db2.gz FPWNJPSURHKALT-NVXWUHKLSA-N 2 1 260.425 3.429 20 0 CGADMP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643229 330144932 /nfs/dbraw/zinc/14/49/32/330144932.db2.gz FPWNJPSURHKALT-NVXWUHKLSA-N 2 1 260.425 3.429 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191896305 331303273 /nfs/dbraw/zinc/30/32/73/331303273.db2.gz VCTDJKYXIRODJM-INIZCTEOSA-N 2 1 276.424 3.091 20 0 CGADMP COc1cccc2c(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)ccnc12 ZINC000576201645 335168549 /nfs/dbraw/zinc/16/85/49/335168549.db2.gz IMPLNDBGNZDQRO-OLZOCXBDSA-N 2 1 297.402 3.281 20 0 CGADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576397244 335198306 /nfs/dbraw/zinc/19/83/06/335198306.db2.gz ZLKHUPYSZSNLFP-KZNAEPCWSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1cccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccn2)c1 ZINC000576530864 335216008 /nfs/dbraw/zinc/21/60/08/335216008.db2.gz ZWOIBHDHTFNWOD-SCTDSRPQSA-N 2 1 295.430 3.339 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@@H](C)CCCC[NH3+] ZINC000577870737 335415383 /nfs/dbraw/zinc/41/53/83/335415383.db2.gz QOJZBRAGYSKPEP-ZDUSSCGKSA-N 2 1 257.381 3.473 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581131409 336012769 /nfs/dbraw/zinc/01/27/69/336012769.db2.gz HHXCTJRMPBFMCG-ZIAGYGMSSA-N 2 1 269.392 3.473 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC1(C)C ZINC000581146781 336015987 /nfs/dbraw/zinc/01/59/87/336015987.db2.gz FPZADXVRSFGQGU-XGUBFFRZSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC1(C)C ZINC000581146781 336015989 /nfs/dbraw/zinc/01/59/89/336015989.db2.gz FPZADXVRSFGQGU-XGUBFFRZSA-N 2 1 252.446 3.131 20 0 CGADMP CCC(C)(C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000581173600 336019269 /nfs/dbraw/zinc/01/92/69/336019269.db2.gz VQRPYYJUERFZPS-CYBMUJFWSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1csc([C@@H](NCC[C@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC000581278422 336035680 /nfs/dbraw/zinc/03/56/80/336035680.db2.gz YUBSQVWZIIVLEE-CABCVRRESA-N 2 1 293.480 3.367 20 0 CGADMP COCC[NH+]1CCC([NH2+]CC[C@@H](C)CCC=C(C)C)CC1 ZINC000194974336 336041526 /nfs/dbraw/zinc/04/15/26/336041526.db2.gz UMJBIJHGUVQVKK-KRWDZBQOSA-N 2 1 296.499 3.459 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3occc3c2)C1 ZINC000581516187 336092673 /nfs/dbraw/zinc/09/26/73/336092673.db2.gz ZYFDAUIMZWZZLY-IRXDYDNUSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3occc3c2)C1 ZINC000581516187 336092674 /nfs/dbraw/zinc/09/26/74/336092674.db2.gz ZYFDAUIMZWZZLY-IRXDYDNUSA-N 2 1 284.403 3.349 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000581575563 336105117 /nfs/dbraw/zinc/10/51/17/336105117.db2.gz VTMCZEYPMFOSBO-GOSISDBHSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000383266008 336106713 /nfs/dbraw/zinc/10/67/13/336106713.db2.gz HPOVHRCXFHZWOB-ULQDDVLXSA-N 2 1 272.436 3.357 20 0 CGADMP CCSc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000581693702 336128819 /nfs/dbraw/zinc/12/88/19/336128819.db2.gz KQJXMWCTBGHTNJ-UHFFFAOYSA-N 2 1 266.454 3.182 20 0 CGADMP CCSc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000581693702 336128820 /nfs/dbraw/zinc/12/88/20/336128820.db2.gz KQJXMWCTBGHTNJ-UHFFFAOYSA-N 2 1 266.454 3.182 20 0 CGADMP C[C@H](C1CC1)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000385463868 336147363 /nfs/dbraw/zinc/14/73/63/336147363.db2.gz LJXCHXAUIHNBEW-HZPDHXFCSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1ccc([C@H]2CC[N@H+](CCCc3cncn3C)C2)cc1 ZINC000581832068 336149441 /nfs/dbraw/zinc/14/94/41/336149441.db2.gz REWKMMNYMDPBOS-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000581832068 336149442 /nfs/dbraw/zinc/14/94/42/336149442.db2.gz REWKMMNYMDPBOS-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP Cc1ccc([C@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000581832068 336149444 /nfs/dbraw/zinc/14/94/44/336149444.db2.gz REWKMMNYMDPBOS-KRWDZBQOSA-N 2 1 283.419 3.151 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCC1 ZINC000581889188 336160587 /nfs/dbraw/zinc/16/05/87/336160587.db2.gz JXLJVAGHDLPPIS-UHFFFAOYSA-N 2 1 258.409 3.095 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000581982251 336184138 /nfs/dbraw/zinc/18/41/38/336184138.db2.gz SXLKDPDXPDUVKF-KRWDZBQOSA-N 2 1 288.435 3.147 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582003227 336189110 /nfs/dbraw/zinc/18/91/10/336189110.db2.gz BEXWJWZNHYXFRC-RTBURBONSA-N 2 1 294.442 3.314 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582003225 336189150 /nfs/dbraw/zinc/18/91/50/336189150.db2.gz BEXWJWZNHYXFRC-OALUTQOASA-N 2 1 294.442 3.314 20 0 CGADMP COc1cccc2c1CC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423258100 533874781 /nfs/dbraw/zinc/87/47/81/533874781.db2.gz AZMQTUDCLCQDLN-SJORKVTESA-N 2 1 288.435 3.180 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2c(s1)CCCC2 ZINC000423322659 533896935 /nfs/dbraw/zinc/89/69/35/533896935.db2.gz OCAOCOOFNZAJHJ-GWCFXTLKSA-N 2 1 264.438 3.015 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310697 533896967 /nfs/dbraw/zinc/89/69/67/533896967.db2.gz ASNGIFULXVMGSM-ZANVPECISA-N 2 1 272.314 3.093 20 0 CGADMP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cnn1C(C)(C)C ZINC000423495682 533948949 /nfs/dbraw/zinc/94/89/49/533948949.db2.gz CLZMUOLCFRKFJC-WBMJQRKESA-N 2 1 292.471 3.115 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000423534721 533995706 /nfs/dbraw/zinc/99/57/06/533995706.db2.gz WPXGRPORCREGAM-KBXCAEBGSA-N 2 1 298.434 3.040 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000149422585 534117979 /nfs/dbraw/zinc/11/79/79/534117979.db2.gz QVUOGRLTSXZEJA-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000449082078 534258056 /nfs/dbraw/zinc/25/80/56/534258056.db2.gz KFTHZJHZWKDEKA-CVEARBPZSA-N 2 1 278.440 3.312 20 0 CGADMP c1cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)c2o1 ZINC000449083584 534477242 /nfs/dbraw/zinc/47/72/42/534477242.db2.gz UKQZGCLJSHWDRU-HZPDHXFCSA-N 2 1 270.376 3.149 20 0 CGADMP c1cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)c2o1 ZINC000449083584 534477248 /nfs/dbraw/zinc/47/72/48/534477248.db2.gz UKQZGCLJSHWDRU-HZPDHXFCSA-N 2 1 270.376 3.149 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183946141 521848039 /nfs/dbraw/zinc/84/80/39/521848039.db2.gz ZCYGRIFSFVHEFE-ZDUSSCGKSA-N 2 1 268.351 3.008 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183946141 521848051 /nfs/dbraw/zinc/84/80/51/521848051.db2.gz ZCYGRIFSFVHEFE-ZDUSSCGKSA-N 2 1 268.351 3.008 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCOc1ccccc1Cl)C1CCCCC1 ZINC000420359750 534675925 /nfs/dbraw/zinc/67/59/25/534675925.db2.gz KTEFBQANGMUKQH-OAHLLOKOSA-N 2 1 296.842 3.216 20 0 CGADMP CCn1cc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cn1 ZINC000155829896 523456844 /nfs/dbraw/zinc/45/68/44/523456844.db2.gz TZBCMMDFTQBFGE-OAHLLOKOSA-N 2 1 280.460 3.063 20 0 CGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000086585417 524069452 /nfs/dbraw/zinc/06/94/52/524069452.db2.gz RKDRTBIWOMGJIK-UHFFFAOYSA-N 2 1 294.826 3.065 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163435532 524165362 /nfs/dbraw/zinc/16/53/62/524165362.db2.gz ZKNFZIYBNKSPKA-SNVBAGLBSA-N 2 1 292.320 3.274 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000049551740 524165817 /nfs/dbraw/zinc/16/58/17/524165817.db2.gz JJGCHDMITZKPCO-LLVKDONJSA-N 2 1 274.330 3.135 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000049553618 524167082 /nfs/dbraw/zinc/16/70/82/524167082.db2.gz DMJOMJSDXTUSPM-NEPJUHHUSA-N 2 1 286.366 3.279 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000449164224 534768029 /nfs/dbraw/zinc/76/80/29/534768029.db2.gz OWCFBDGZIIZZJI-OFQRWUPVSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157424297 525140208 /nfs/dbraw/zinc/14/02/08/525140208.db2.gz WLJBJRQIOKRZAG-GOSISDBHSA-N 2 1 272.436 3.445 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423286430 527256901 /nfs/dbraw/zinc/25/69/01/527256901.db2.gz HEWVMLIXEMYLRY-CYBMUJFWSA-N 2 1 286.341 3.483 20 0 CGADMP C(=C/C[N@H+]1CC[C@@H]2CCC[C@H]21)\C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000426462780 527465657 /nfs/dbraw/zinc/46/56/57/527465657.db2.gz UJUAHRZZFIMFRQ-YLJAHGKWSA-N 2 1 274.452 3.291 20 0 CGADMP C(=C/C[N@@H+]1CC[C@@H]2CCC[C@@H]21)\C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000426462780 527465661 /nfs/dbraw/zinc/46/56/61/527465661.db2.gz UJUAHRZZFIMFRQ-YLJAHGKWSA-N 2 1 274.452 3.291 20 0 CGADMP C(=C/C[N@H+]1CC[C@@H]2CCC[C@@H]21)\C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000426462780 527465670 /nfs/dbraw/zinc/46/56/70/527465670.db2.gz UJUAHRZZFIMFRQ-YLJAHGKWSA-N 2 1 274.452 3.291 20 0 CGADMP C(CC1CCOCC1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000368650719 527476208 /nfs/dbraw/zinc/47/62/08/527476208.db2.gz RERUQGVOIQWAGA-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCOC(C)(C)C)C[C@@H]1C ZINC000354860928 527832477 /nfs/dbraw/zinc/83/24/77/527832477.db2.gz PXNJJSULMBASDK-HOTGVXAUSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCOC(C)(C)C)C[C@@H]1C ZINC000354860928 527832487 /nfs/dbraw/zinc/83/24/87/527832487.db2.gz PXNJJSULMBASDK-HOTGVXAUSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCOC(C)(C)C)C[C@@H]1C ZINC000354860928 527832492 /nfs/dbraw/zinc/83/24/92/527832492.db2.gz PXNJJSULMBASDK-HOTGVXAUSA-N 2 1 284.488 3.386 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCOC(C)(C)C)C[C@H]1C ZINC000354860927 527832546 /nfs/dbraw/zinc/83/25/46/527832546.db2.gz PXNJJSULMBASDK-CVEARBPZSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCOC(C)(C)C)C[C@H]1C ZINC000354860927 527832550 /nfs/dbraw/zinc/83/25/50/527832550.db2.gz PXNJJSULMBASDK-CVEARBPZSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCOC(C)(C)C)C[C@H]1C ZINC000354860927 527832558 /nfs/dbraw/zinc/83/25/58/527832558.db2.gz PXNJJSULMBASDK-CVEARBPZSA-N 2 1 284.488 3.386 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C)c2)C[C@H]1C ZINC000449026075 527836181 /nfs/dbraw/zinc/83/61/81/527836181.db2.gz DXJHMKDBLOGUGY-DOMZBBRYSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C)c2)C[C@H]1C ZINC000449026075 527836185 /nfs/dbraw/zinc/83/61/85/527836185.db2.gz DXJHMKDBLOGUGY-DOMZBBRYSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C)c2)C[C@H]1C ZINC000449026075 527836188 /nfs/dbraw/zinc/83/61/88/527836188.db2.gz DXJHMKDBLOGUGY-DOMZBBRYSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C)c2)C[C@H]1C ZINC000449026075 527836193 /nfs/dbraw/zinc/83/61/93/527836193.db2.gz DXJHMKDBLOGUGY-DOMZBBRYSA-N 2 1 266.454 3.361 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccoc1 ZINC000423367315 527848934 /nfs/dbraw/zinc/84/89/34/527848934.db2.gz AEGGAXADWQXCAL-BMFZPTHFSA-N 2 1 264.413 3.487 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccoc1 ZINC000423385637 527849425 /nfs/dbraw/zinc/84/94/25/527849425.db2.gz GUJSJLOATIVAHX-IMJJTQAJSA-N 2 1 264.413 3.345 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369539842 527886151 /nfs/dbraw/zinc/88/61/51/527886151.db2.gz KMTZIKWXGJGGER-IAGOWNOFSA-N 2 1 289.467 3.251 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369539842 527886163 /nfs/dbraw/zinc/88/61/63/527886163.db2.gz KMTZIKWXGJGGER-IAGOWNOFSA-N 2 1 289.467 3.251 20 0 CGADMP CC1(F)CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000449376202 528015163 /nfs/dbraw/zinc/01/51/63/528015163.db2.gz LYTCHUFEABYHKS-UHFFFAOYSA-N 2 1 290.426 3.174 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000436469065 528061869 /nfs/dbraw/zinc/06/18/69/528061869.db2.gz UYCBGGSGCLPWQM-YBXZHIRMSA-N 2 1 284.447 3.323 20 0 CGADMP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000436469065 528061874 /nfs/dbraw/zinc/06/18/74/528061874.db2.gz UYCBGGSGCLPWQM-YBXZHIRMSA-N 2 1 284.447 3.323 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1(C)C ZINC000423271135 528065837 /nfs/dbraw/zinc/06/58/37/528065837.db2.gz XHKMQJXAJVAKIW-HRCADAONSA-N 2 1 282.472 3.076 20 0 CGADMP CC[NH+](CC)CCCNc1cc[nH+]c2ccsc21 ZINC000428109440 528114703 /nfs/dbraw/zinc/11/47/03/528114703.db2.gz XQQAWGIDTCAHPX-UHFFFAOYSA-N 2 1 263.410 3.440 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000449148819 528217453 /nfs/dbraw/zinc/21/74/53/528217453.db2.gz LPFCFFIQDGDREU-MSOLQXFVSA-N 2 1 296.499 3.172 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000414074741 528261225 /nfs/dbraw/zinc/26/12/25/528261225.db2.gz OKDUINVBFMDALI-OAGGEKHMSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000423269245 528311291 /nfs/dbraw/zinc/31/12/91/528311291.db2.gz VSXSYFKOLGHZAC-RISCZKNCSA-N 2 1 254.805 3.364 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1C ZINC000359223945 528431229 /nfs/dbraw/zinc/43/12/29/528431229.db2.gz RIEHGBMESBEOCA-UHFFFAOYSA-N 2 1 260.425 3.207 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449102512 528461811 /nfs/dbraw/zinc/46/18/11/528461811.db2.gz YVUWZCSVZFPGNX-UHFFFAOYSA-N 2 1 287.407 3.182 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367614225 528462820 /nfs/dbraw/zinc/46/28/20/528462820.db2.gz FWHJNAATAYNGLM-KZNAEPCWSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423257864 528516976 /nfs/dbraw/zinc/51/69/76/528516976.db2.gz AJWIGGULMJJLPJ-ORQFMDKSSA-N 2 1 260.425 3.142 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1OCC ZINC000423276765 528594948 /nfs/dbraw/zinc/59/49/48/528594948.db2.gz OUHXMMKPMAKDBL-HIFRSBDPSA-N 2 1 294.439 3.118 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423298050 528956497 /nfs/dbraw/zinc/95/64/97/528956497.db2.gz MWPYBZRLQPEVIM-SQWLQELKSA-N 2 1 278.440 3.294 20 0 CGADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414194612 529008949 /nfs/dbraw/zinc/00/89/49/529008949.db2.gz ULGSQQMIHPCESY-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000192831063 529015349 /nfs/dbraw/zinc/01/53/49/529015349.db2.gz QCMOPTCACKXNAZ-GOEBONIOSA-N 2 1 276.424 3.367 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000192831063 529015354 /nfs/dbraw/zinc/01/53/54/529015354.db2.gz QCMOPTCACKXNAZ-GOEBONIOSA-N 2 1 276.424 3.367 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000449105196 529085319 /nfs/dbraw/zinc/08/53/19/529085319.db2.gz HMWXQGJILWYUFE-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)s1 ZINC000423341181 529157701 /nfs/dbraw/zinc/15/77/01/529157701.db2.gz XRRHDCLVRDPOPA-SECBINFHSA-N 2 1 258.818 3.324 20 0 CGADMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccccc1F ZINC000423289745 529156434 /nfs/dbraw/zinc/15/64/34/529156434.db2.gz YAJHHEFTYNTTAW-CQSZACIVSA-N 2 1 252.377 3.384 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000423362594 529167756 /nfs/dbraw/zinc/16/77/56/529167756.db2.gz NCDAAILOLHMYRP-IUODEOHRSA-N 2 1 268.351 3.148 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000423442089 529204528 /nfs/dbraw/zinc/20/45/28/529204528.db2.gz UUDIQBSQJAOUKU-QOBDMFJFSA-N 2 1 285.218 3.252 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[NH+]1CCCC1 ZINC000129254621 535018558 /nfs/dbraw/zinc/01/85/58/535018558.db2.gz NWHLGSJFFQMOPJ-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CCCCC2)CC1 ZINC000514010027 535152581 /nfs/dbraw/zinc/15/25/81/535152581.db2.gz RGYNPFSBACWLBE-UHFFFAOYSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000094849359 535385064 /nfs/dbraw/zinc/38/50/64/535385064.db2.gz HZQQIUNFBNCQDS-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000459790946 536384544 /nfs/dbraw/zinc/38/45/44/536384544.db2.gz RCJSJDOUQJOVNN-QQFBHYJXSA-N 2 1 290.426 3.393 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000459738602 536384732 /nfs/dbraw/zinc/38/47/32/536384732.db2.gz RZNHODXCOQTXKD-CYBMUJFWSA-N 2 1 298.377 3.110 20 0 CGADMP COc1ccc([C@H]2CCCCC[N@@H+]2CC(C)(C)[NH3+])cc1 ZINC000469879174 536936993 /nfs/dbraw/zinc/93/69/93/536936993.db2.gz ILHJPOUIIAGYEV-MRXNPFEDSA-N 2 1 276.424 3.350 20 0 CGADMP COc1ccc([C@H]2CCCCC[N@H+]2CC(C)(C)[NH3+])cc1 ZINC000469879174 536937001 /nfs/dbraw/zinc/93/70/01/536937001.db2.gz ILHJPOUIIAGYEV-MRXNPFEDSA-N 2 1 276.424 3.350 20 0 CGADMP C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919066 572330024 /nfs/dbraw/zinc/33/00/24/572330024.db2.gz BFMCRHMQIGPENE-JYJNAYRXSA-N 2 1 250.430 3.031 20 0 CGADMP CC1(C)CCC(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000415141097 617620421 /nfs/dbraw/zinc/62/04/21/617620421.db2.gz OLIKFIPMFQYJBB-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP CC1(C)CCC(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000415141097 617620426 /nfs/dbraw/zinc/62/04/26/617620426.db2.gz OLIKFIPMFQYJBB-INIZCTEOSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCCCC1 ZINC000415136939 617937482 /nfs/dbraw/zinc/93/74/82/617937482.db2.gz IGFXKGHLUQLBNK-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCCCC1 ZINC000415136939 617937497 /nfs/dbraw/zinc/93/74/97/617937497.db2.gz IGFXKGHLUQLBNK-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245197 618081645 /nfs/dbraw/zinc/08/16/45/618081645.db2.gz RPAQXFFWTNBLDG-RISCZKNCSA-N 2 1 297.240 3.181 20 0 CGADMP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245197 618081647 /nfs/dbraw/zinc/08/16/47/618081647.db2.gz RPAQXFFWTNBLDG-RISCZKNCSA-N 2 1 297.240 3.181 20 0 CGADMP C[C@@H](c1ccco1)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000891803217 618307009 /nfs/dbraw/zinc/30/70/09/618307009.db2.gz VMPKDMIEVOQLPP-ZDUSSCGKSA-N 2 1 262.397 3.147 20 0 CGADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000121804017 618631404 /nfs/dbraw/zinc/63/14/04/618631404.db2.gz CLJPDEQZAMIHNT-IKGGRYGDSA-N 2 1 276.468 3.418 20 0 CGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000235096206 618652243 /nfs/dbraw/zinc/65/22/43/618652243.db2.gz JXFSLVLXNRMAJL-UONOGXRCSA-N 2 1 270.486 3.125 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(Cl)s2)CC[NH2+]1 ZINC000235365603 618673094 /nfs/dbraw/zinc/67/30/94/618673094.db2.gz ULVFHPXTGVXGOK-GHMZBOCLSA-N 2 1 272.845 3.221 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000219761668 618747876 /nfs/dbraw/zinc/74/78/76/618747876.db2.gz YFNCYHJYNBWYMZ-OCCSQVGLSA-N 2 1 252.427 3.131 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)C2CCOCC2)CCCCC1 ZINC000924559995 618833101 /nfs/dbraw/zinc/83/31/01/618833101.db2.gz NUTRKPUHLJVOAT-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000893030080 618980837 /nfs/dbraw/zinc/98/08/37/618980837.db2.gz PLPLIUWCQPZNKK-UHFFFAOYSA-N 2 1 293.798 3.121 20 0 CGADMP COCCC1(C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CCCC1 ZINC000925556056 619056199 /nfs/dbraw/zinc/05/61/99/619056199.db2.gz JPWGRUVPXNOYHV-NVXWUHKLSA-N 2 1 290.451 3.261 20 0 CGADMP COc1cccc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000093678098 619209167 /nfs/dbraw/zinc/20/91/67/619209167.db2.gz IZNDXEAPDNBSHX-ZXFUBFMLSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1 ZINC000925777436 619240204 /nfs/dbraw/zinc/24/02/04/619240204.db2.gz DOXJEKKUQXZRKS-CMPLNLGQSA-N 2 1 288.769 3.235 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589470 619290379 /nfs/dbraw/zinc/29/03/79/619290379.db2.gz KUJJUICFSMEGIU-JKSUJKDBSA-N 2 1 278.827 3.477 20 0 CGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589470 619290381 /nfs/dbraw/zinc/29/03/81/619290381.db2.gz KUJJUICFSMEGIU-JKSUJKDBSA-N 2 1 278.827 3.477 20 0 CGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)Cc1ccsc1 ZINC000893720259 619308132 /nfs/dbraw/zinc/30/81/32/619308132.db2.gz YFLPOTPHRZUADO-AWEZNQCLSA-N 2 1 280.481 3.343 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000252088589 619317147 /nfs/dbraw/zinc/31/71/47/619317147.db2.gz DFERERQCVPCYGK-YZDRTPDPSA-N 2 1 250.430 3.028 20 0 CGADMP Fc1cccc(/C=C\C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000893966173 619341409 /nfs/dbraw/zinc/34/14/09/619341409.db2.gz IXVFPSNLENGUSA-PRSOIBJXSA-N 2 1 285.366 3.442 20 0 CGADMP c1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c2c(c1)CCCN2 ZINC000894204294 619413786 /nfs/dbraw/zinc/41/37/86/619413786.db2.gz MKUYXEVPDYQMRK-UHFFFAOYSA-N 2 1 299.462 3.151 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261792177 619430785 /nfs/dbraw/zinc/43/07/85/619430785.db2.gz GEWRSVPWNQZNSU-NWANDNLSSA-N 2 1 298.352 3.183 20 0 CGADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000261921158 619475725 /nfs/dbraw/zinc/47/57/25/619475725.db2.gz BPNCDELUJKQDKX-CJNGLKHVSA-N 2 1 278.827 3.129 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cccc3O)s2)CC[N@@H+]1C ZINC000894312312 619485706 /nfs/dbraw/zinc/48/57/06/619485706.db2.gz HKYXBFUCLMFGTD-NWDGAFQWSA-N 2 1 290.432 3.179 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cccc3O)s2)CC[N@H+]1C ZINC000894312312 619485709 /nfs/dbraw/zinc/48/57/09/619485709.db2.gz HKYXBFUCLMFGTD-NWDGAFQWSA-N 2 1 290.432 3.179 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000925010193 619489620 /nfs/dbraw/zinc/48/96/20/619489620.db2.gz LGJYDJPTYXZTQE-KGLIPLIRSA-N 2 1 272.392 3.425 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000925029183 619500628 /nfs/dbraw/zinc/50/06/28/619500628.db2.gz KELXISUFYKPHMB-BZUAXINKSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000925029183 619500632 /nfs/dbraw/zinc/50/06/32/619500632.db2.gz KELXISUFYKPHMB-BZUAXINKSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1ccc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000894416347 619527185 /nfs/dbraw/zinc/52/71/85/619527185.db2.gz CBGLFBGNZVBCMT-DFNIBXOVSA-N 2 1 286.463 3.403 20 0 CGADMP Cc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000894416347 619527188 /nfs/dbraw/zinc/52/71/88/619527188.db2.gz CBGLFBGNZVBCMT-DFNIBXOVSA-N 2 1 286.463 3.403 20 0 CGADMP Cc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000894416347 619527191 /nfs/dbraw/zinc/52/71/91/619527191.db2.gz CBGLFBGNZVBCMT-DFNIBXOVSA-N 2 1 286.463 3.403 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000894862052 619658093 /nfs/dbraw/zinc/65/80/93/619658093.db2.gz ZJNXNPQTRCWASH-RDJZCZTQSA-N 2 1 272.436 3.038 20 0 CGADMP C[C@H](CC[NH2+]Cc1ccccc1N1CCCCC1)[NH+](C)C ZINC000895300577 619799803 /nfs/dbraw/zinc/79/98/03/619799803.db2.gz ZVVZZCYEZJRCCR-MRXNPFEDSA-N 2 1 289.467 3.107 20 0 CGADMP CCc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)s1 ZINC000895380427 619816734 /nfs/dbraw/zinc/81/67/34/619816734.db2.gz YJRIHSKXAPRTIP-UKRRQHHQSA-N 2 1 295.496 3.258 20 0 CGADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)s1 ZINC000895380427 619816736 /nfs/dbraw/zinc/81/67/36/619816736.db2.gz YJRIHSKXAPRTIP-UKRRQHHQSA-N 2 1 295.496 3.258 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)sn1 ZINC000895375853 619817219 /nfs/dbraw/zinc/81/72/19/619817219.db2.gz FBDSZEZOJZWIAM-SWLSCSKDSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)sn1 ZINC000895375853 619817220 /nfs/dbraw/zinc/81/72/20/619817220.db2.gz FBDSZEZOJZWIAM-SWLSCSKDSA-N 2 1 281.469 3.004 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc(F)c1N ZINC000895682453 619871973 /nfs/dbraw/zinc/87/19/73/619871973.db2.gz DJOJYBSIZXQVCP-UHFFFAOYSA-N 2 1 293.430 3.106 20 0 CGADMP c1cc2cc(C[NH+]3CCC([NH2+]C4CCC4)CC3)ccc2cn1 ZINC000897983159 620462016 /nfs/dbraw/zinc/46/20/16/620462016.db2.gz ZYOIWJSMTOUDOO-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP FC1(F)CC[C@H](CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000898017848 620467225 /nfs/dbraw/zinc/46/72/25/620467225.db2.gz UTVHZFNJMMVTRO-RDBSUJKOSA-N 2 1 272.383 3.028 20 0 CGADMP FC1(F)CCC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000898031809 620469292 /nfs/dbraw/zinc/46/92/92/620469292.db2.gz OPZNMEQJJNFYGP-HUUCEWRRSA-N 2 1 286.410 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CCCC2)CC[N@H+]1C ZINC000898032751 620469846 /nfs/dbraw/zinc/46/98/46/620469846.db2.gz WYMJHOVPMZGXRE-OAGGEKHMSA-N 2 1 250.430 3.195 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCCC2)[C@@H](C)C1 ZINC000898262284 620501029 /nfs/dbraw/zinc/50/10/29/620501029.db2.gz ZDOPJSCKZVSGDP-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000924626801 620545785 /nfs/dbraw/zinc/54/57/85/620545785.db2.gz LVVQZMXXAGPRIA-ZBBUEOHVSA-N 2 1 290.373 3.037 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(Br)c1 ZINC000042440734 620881473 /nfs/dbraw/zinc/88/14/73/620881473.db2.gz XCHMWBYPCDQPKH-UHFFFAOYSA-N 2 1 299.256 3.400 20 0 CGADMP CC(C)[N@@H+](CCCCCC[NH3+])Cc1cccs1 ZINC000042519685 621088689 /nfs/dbraw/zinc/08/86/89/621088689.db2.gz YYXZAFKDLFMKBM-UHFFFAOYSA-N 2 1 254.443 3.478 20 0 CGADMP CCNc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000902196425 621191237 /nfs/dbraw/zinc/19/12/37/621191237.db2.gz VPFPLOJUBIUZEW-CQSZACIVSA-N 2 1 286.423 3.049 20 0 CGADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CC1 ZINC000902416267 621309030 /nfs/dbraw/zinc/30/90/30/621309030.db2.gz MLGIJMZDNUADAR-NSHDSACASA-N 2 1 286.341 3.107 20 0 CGADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902418189 621310318 /nfs/dbraw/zinc/31/03/18/621310318.db2.gz WIOUMUBIZFVWCK-LLVKDONJSA-N 2 1 287.432 3.260 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000902413942 621323838 /nfs/dbraw/zinc/32/38/38/621323838.db2.gz PZEMCHZWYSSMKP-CYBMUJFWSA-N 2 1 298.402 3.460 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902476263 621325817 /nfs/dbraw/zinc/32/58/17/621325817.db2.gz OJBGHYDSURIWPT-PQEBFOHHSA-N 2 1 272.436 3.225 20 0 CGADMP C[C@H]([NH2+]CCC1CCC(F)(F)CC1)c1c[nH+]ccc1N ZINC000902454548 621333064 /nfs/dbraw/zinc/33/30/64/621333064.db2.gz GUYNAWZOSIIIJG-NSHDSACASA-N 2 1 283.366 3.360 20 0 CGADMP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902468217 621339137 /nfs/dbraw/zinc/33/91/37/621339137.db2.gz NGABANCBSPAUCR-QXEFRVRVSA-N 2 1 290.838 3.459 20 0 CGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468309 621339224 /nfs/dbraw/zinc/33/92/24/621339224.db2.gz UULSLXNHCIBODX-WAZAZEMKSA-N 2 1 298.352 3.119 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H](C)c1ccc(Cl)cc1 ZINC000902469378 621340034 /nfs/dbraw/zinc/34/00/34/621340034.db2.gz PUEJXSWZKAASND-XDAAZBQQSA-N 2 1 278.827 3.315 20 0 CGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)c1 ZINC000902468771 621340603 /nfs/dbraw/zinc/34/06/03/621340603.db2.gz VEWBLJQSFZCXJP-LMLQULGWSA-N 2 1 290.838 3.459 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903081529 621562441 /nfs/dbraw/zinc/56/24/41/621562441.db2.gz VAJPEHNKEYXCEV-AEIJQKHESA-N 2 1 262.441 3.313 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903097035 621585988 /nfs/dbraw/zinc/58/59/88/621585988.db2.gz BDCSYCCQPUAKLI-WPXLMEDKSA-N 2 1 264.457 3.416 20 0 CGADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903121229 621588414 /nfs/dbraw/zinc/58/84/14/621588414.db2.gz SVIIDYDASGOCDQ-VHRNVKJDSA-N 2 1 262.441 3.314 20 0 CGADMP c1ccc(C[C@@H]2C[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903122372 621588874 /nfs/dbraw/zinc/58/88/74/621588874.db2.gz YSJDGDMKPFJCKO-DSLRARGZSA-N 2 1 296.458 3.365 20 0 CGADMP c1cncc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)c1 ZINC000903130709 621591901 /nfs/dbraw/zinc/59/19/01/621591901.db2.gz NXUZDQBXIOSREG-ZCTYVAAUSA-N 2 1 297.446 3.280 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903228857 621638876 /nfs/dbraw/zinc/63/88/76/621638876.db2.gz XSLJSCKRUVHZAW-ONQFOCNCSA-N 2 1 297.446 3.206 20 0 CGADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903228857 621638881 /nfs/dbraw/zinc/63/88/81/621638881.db2.gz XSLJSCKRUVHZAW-ONQFOCNCSA-N 2 1 297.446 3.206 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]2CCCC[C@H]12 ZINC000903430837 621744197 /nfs/dbraw/zinc/74/41/97/621744197.db2.gz DLFDNGFONRIATQ-LJIZCISZSA-N 2 1 250.430 3.014 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903433256 621745457 /nfs/dbraw/zinc/74/54/57/621745457.db2.gz XLRXEVXTGOCTNY-HIFRSBDPSA-N 2 1 296.842 3.168 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000903438279 621747337 /nfs/dbraw/zinc/74/73/37/621747337.db2.gz SXDRYPTUAVBRLR-NORZTCDRSA-N 2 1 280.362 3.229 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](CSc3ccccc3)C2)C1 ZINC000903440483 621749122 /nfs/dbraw/zinc/74/91/22/621749122.db2.gz ZRVYSJLNWBJIRK-HRCADAONSA-N 2 1 290.476 3.228 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903452312 621761629 /nfs/dbraw/zinc/76/16/29/621761629.db2.gz LABMURXQSLSBIN-ARFHVFGLSA-N 2 1 294.389 3.239 20 0 CGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903455301 621763047 /nfs/dbraw/zinc/76/30/47/621763047.db2.gz SNPUIKONHJEOLT-IPQWEPCOSA-N 2 1 294.389 3.011 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C3CCC3)CC2)C1 ZINC000903475934 621764273 /nfs/dbraw/zinc/76/42/73/621764273.db2.gz IELNGUSZBQUCIN-CWRNSKLLSA-N 2 1 250.430 3.016 20 0 CGADMP Fc1cccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000903569653 621768844 /nfs/dbraw/zinc/76/88/44/621768844.db2.gz GAYHQIHQLINPNH-AWEZNQCLSA-N 2 1 276.399 3.180 20 0 CGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732941 621797849 /nfs/dbraw/zinc/79/78/49/621797849.db2.gz HXIXQWCAEFTCTD-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903770058 621803821 /nfs/dbraw/zinc/80/38/21/621803821.db2.gz RXFCBKKXQVPZSX-JKXDFHQYSA-N 2 1 284.394 3.028 20 0 CGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CCC1 ZINC000903810306 621813159 /nfs/dbraw/zinc/81/31/59/621813159.db2.gz AKWJNWOWWMAIPJ-INIZCTEOSA-N 2 1 276.399 3.309 20 0 CGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)oc3ccccc31)C2 ZINC000903841247 621819527 /nfs/dbraw/zinc/81/95/27/621819527.db2.gz CMQFPIXBHCARQO-SRVKXCTJSA-N 2 1 290.794 3.398 20 0 CGADMP c1csc([C@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903875813 621825379 /nfs/dbraw/zinc/82/53/79/621825379.db2.gz CIYMBXASNVFUAO-JALIKCBVSA-N 2 1 276.449 3.416 20 0 CGADMP C[N@H+](Cc1c(F)cccc1Cl)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903877048 621825546 /nfs/dbraw/zinc/82/55/46/621825546.db2.gz KKYQUJXGHCBSMV-YHWZYXNKSA-N 2 1 296.817 3.442 20 0 CGADMP CCc1ccc(C(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903902654 621830896 /nfs/dbraw/zinc/83/08/96/621830896.db2.gz LWCHMOJGPQKCAV-ZDUSSCGKSA-N 2 1 270.367 3.056 20 0 CGADMP Cc1ccc([C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903910954 621832008 /nfs/dbraw/zinc/83/20/08/621832008.db2.gz TYKKEQVUGYPWFH-OTHOMEOQSA-N 2 1 284.447 3.315 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000903939556 621834884 /nfs/dbraw/zinc/83/48/84/621834884.db2.gz IZQNZTQWQXROHV-UHFFFAOYSA-N 2 1 279.186 3.350 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000903953655 621842378 /nfs/dbraw/zinc/84/23/78/621842378.db2.gz IHBXCZVYGACFTA-AVGNSLFASA-N 2 1 278.362 3.024 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000903953655 621842382 /nfs/dbraw/zinc/84/23/82/621842382.db2.gz IHBXCZVYGACFTA-AVGNSLFASA-N 2 1 278.362 3.024 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000903953322 621842589 /nfs/dbraw/zinc/84/25/89/621842589.db2.gz CYDMKLQCDJYDTR-UHFFFAOYSA-N 2 1 299.462 3.105 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)F)c(F)c1)C1CCC([NH3+])CC1 ZINC000904300796 621900984 /nfs/dbraw/zinc/90/09/84/621900984.db2.gz AWEVZOIDXNHYFK-UHFFFAOYSA-N 2 1 286.341 3.465 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305526 621901935 /nfs/dbraw/zinc/90/19/35/621901935.db2.gz PKXZSEMQLPNTDV-BETUJISGSA-N 2 1 272.392 3.164 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000904323283 621907012 /nfs/dbraw/zinc/90/70/12/621907012.db2.gz NRCZBAMEWOHOKE-CJNGLKHVSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000904323283 621907015 /nfs/dbraw/zinc/90/70/15/621907015.db2.gz NRCZBAMEWOHOKE-CJNGLKHVSA-N 2 1 295.496 3.396 20 0 CGADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342699 621909649 /nfs/dbraw/zinc/90/96/49/621909649.db2.gz NUPXKJSJQZYEDT-FGTMMUONSA-N 2 1 272.436 3.069 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)C1 ZINC000904346769 621910702 /nfs/dbraw/zinc/91/07/02/621910702.db2.gz XAPOVOXNMQGQBM-CPUCHLNUSA-N 2 1 276.399 3.133 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904350455 621911444 /nfs/dbraw/zinc/91/14/44/621911444.db2.gz LVYPXMSNCXAYPX-LBPRGKRZSA-N 2 1 286.341 3.467 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904350455 621911445 /nfs/dbraw/zinc/91/14/45/621911445.db2.gz LVYPXMSNCXAYPX-LBPRGKRZSA-N 2 1 286.341 3.467 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904375828 621916669 /nfs/dbraw/zinc/91/66/69/621916669.db2.gz HCANTVPWTMOHKC-OKILXGFUSA-N 2 1 272.392 3.219 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000904406663 621918629 /nfs/dbraw/zinc/91/86/29/621918629.db2.gz UDCPTIQCJQPKDG-AWEZNQCLSA-N 2 1 299.393 3.058 20 0 CGADMP C[C@H]1C[N@H+](Cc2csc(Cl)c2Cl)CC[C@H]1C[NH3+] ZINC000904411008 621918877 /nfs/dbraw/zinc/91/88/77/621918877.db2.gz SLXIYDXKXNDLNA-IUCAKERBSA-N 2 1 293.263 3.472 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc(Cl)c2Cl)CC[C@H]1C[NH3+] ZINC000904411008 621918883 /nfs/dbraw/zinc/91/88/83/621918883.db2.gz SLXIYDXKXNDLNA-IUCAKERBSA-N 2 1 293.263 3.472 20 0 CGADMP Cc1nc2ccc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cc2s1 ZINC000904409836 621918984 /nfs/dbraw/zinc/91/89/84/621918984.db2.gz JQQCXTBJERMIPZ-FZMZJTMJSA-N 2 1 289.448 3.021 20 0 CGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)ccc2c1 ZINC000904411823 621919167 /nfs/dbraw/zinc/91/91/67/621919167.db2.gz NQZCQZYIMBTQBZ-KSSFIOAISA-N 2 1 298.430 3.265 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420140 621921933 /nfs/dbraw/zinc/92/19/33/621921933.db2.gz CZOMKVATYLVKSJ-OGWHTMIXSA-N 2 1 284.447 3.038 20 0 CGADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)o1 ZINC000768925262 625554347 /nfs/dbraw/zinc/55/43/47/625554347.db2.gz ARDIETUJCBOXBV-UHFFFAOYSA-N 2 1 278.440 3.449 20 0 CGADMP C[N@@H+](CCCN[C@@H]1CCc2cccnc21)C1CCCCC1 ZINC000226815253 622999985 /nfs/dbraw/zinc/99/99/85/622999985.db2.gz ROJDAXVJTLQETG-QGZVFWFLSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000062862683 623271485 /nfs/dbraw/zinc/27/14/85/623271485.db2.gz YFNCYHJYNBWYMZ-GXTWGEPZSA-N 2 1 252.427 3.131 20 0 CGADMP CC1(C)CC([NH2+]Cc2cccc3c2OCC3)CC(C)(C)[NH2+]1 ZINC000921492855 624595926 /nfs/dbraw/zinc/59/59/26/624595926.db2.gz BRHLDJNJJPCNLQ-UHFFFAOYSA-N 2 1 288.435 3.020 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000929261065 625968812 /nfs/dbraw/zinc/96/88/12/625968812.db2.gz YYAZRCWIGNVLKN-PJODQICGSA-N 2 1 261.413 3.427 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnc3ccccc3c2)CC1(C)C ZINC000922706129 626034973 /nfs/dbraw/zinc/03/49/73/626034973.db2.gz PYSBJICMBMBZCQ-KRWDZBQOSA-N 2 1 297.446 3.240 20 0 CGADMP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC000923271338 626141476 /nfs/dbraw/zinc/14/14/76/626141476.db2.gz IRDIYDWVQNSZPE-AGUYFDCRSA-N 2 1 290.373 3.181 20 0 CGADMP Cc1cc([C@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)on1 ZINC000923305484 626144889 /nfs/dbraw/zinc/14/48/89/626144889.db2.gz CEFWFYIDXZKEJM-WTXIUTQJSA-N 2 1 289.423 3.041 20 0 CGADMP c1ccc2oc([C@H]3CCC[N@H+](CCC[NH2+]C4CC4)C3)nc2c1 ZINC000923320550 626145755 /nfs/dbraw/zinc/14/57/55/626145755.db2.gz ZNXRAFVJRJYOME-AWEZNQCLSA-N 2 1 299.418 3.149 20 0 CGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)c1 ZINC000923324602 626146366 /nfs/dbraw/zinc/14/63/66/626146366.db2.gz ITYWTCSJECZHPT-GOSISDBHSA-N 2 1 287.451 3.032 20 0 CGADMP Cc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)sc1C(C)(C)C ZINC000923349572 626147978 /nfs/dbraw/zinc/14/79/78/626147978.db2.gz UJZNCXJHXAHKDE-ZDUSSCGKSA-N 2 1 295.496 3.310 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1C(F)(F)F ZINC000923425208 626152268 /nfs/dbraw/zinc/15/22/68/626152268.db2.gz JRUTTYPCBVHIGF-STQMWFEESA-N 2 1 290.373 3.026 20 0 CGADMP FC(F)C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000923428955 626152683 /nfs/dbraw/zinc/15/26/83/626152683.db2.gz UOEUIBDVRREEMB-YHWZYXNKSA-N 2 1 272.383 3.027 20 0 CGADMP FC(F)C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000923428955 626152687 /nfs/dbraw/zinc/15/26/87/626152687.db2.gz UOEUIBDVRREEMB-YHWZYXNKSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)sc1C(C)(C)C ZINC000923429118 626152859 /nfs/dbraw/zinc/15/28/59/626152859.db2.gz PQEMAHOBBYVIFP-DGCLKSJQSA-N 2 1 295.496 3.166 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000923484792 626157005 /nfs/dbraw/zinc/15/70/05/626157005.db2.gz NAXPQQLEQPKVJI-CQSZACIVSA-N 2 1 278.399 3.427 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493836 626158488 /nfs/dbraw/zinc/15/84/88/626158488.db2.gz IRXYFHWDFNRUPK-DYEKYZERSA-N 2 1 266.816 3.318 20 0 CGADMP C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000757882500 626812573 /nfs/dbraw/zinc/81/25/73/626812573.db2.gz PXRQNVYHTRNWOX-OAHLLOKOSA-N 2 1 283.419 3.336 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)CC1 ZINC000759967435 626933238 /nfs/dbraw/zinc/93/32/38/626933238.db2.gz PMWNATNUXLMCEI-SJORKVTESA-N 2 1 272.436 3.133 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000765036551 627237860 /nfs/dbraw/zinc/23/78/60/627237860.db2.gz HTSGBXUHQQYGCJ-GZBFAFLISA-N 2 1 291.464 3.045 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000765036551 627237863 /nfs/dbraw/zinc/23/78/63/627237863.db2.gz HTSGBXUHQQYGCJ-GZBFAFLISA-N 2 1 291.464 3.045 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000765758365 627269386 /nfs/dbraw/zinc/26/93/86/627269386.db2.gz KLPCZDLGFLKPLJ-VXGBXAGGSA-N 2 1 292.814 3.227 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2N(C)CC)CC1 ZINC000765850408 627275155 /nfs/dbraw/zinc/27/51/55/627275155.db2.gz UTAHEJBHGVVUFD-UHFFFAOYSA-N 2 1 289.467 3.107 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(C(F)F)C2)c1 ZINC000768691717 627493838 /nfs/dbraw/zinc/49/38/38/627493838.db2.gz XTNIYQMOMGXXCC-UHFFFAOYSA-N 2 1 282.378 3.272 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2CCCC2)cc1 ZINC000769191869 627530707 /nfs/dbraw/zinc/53/07/07/627530707.db2.gz RBWQIILOKLREHY-UHFFFAOYSA-N 2 1 260.425 3.370 20 0 CGADMP Cc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000774109833 627946530 /nfs/dbraw/zinc/94/65/30/627946530.db2.gz HOXUJFCIMOUTLN-YQQQUEKLSA-N 2 1 286.463 3.451 20 0 CGADMP FCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000777592405 628286694 /nfs/dbraw/zinc/28/66/94/628286694.db2.gz QEOYWCYBKXBNJD-SFHVURJKSA-N 2 1 290.426 3.464 20 0 CGADMP FCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000777592405 628286695 /nfs/dbraw/zinc/28/66/95/628286695.db2.gz QEOYWCYBKXBNJD-SFHVURJKSA-N 2 1 290.426 3.464 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CC2(C)C)cn1 ZINC000785423503 628861177 /nfs/dbraw/zinc/86/11/77/628861177.db2.gz LKEORQNYNINTID-IUODEOHRSA-N 2 1 284.407 3.100 20 0 CGADMP C[NH+]1CCC(C[N@@H+](Cc2ccco2)C2CCCC2)CC1 ZINC000788479249 629057512 /nfs/dbraw/zinc/05/75/12/629057512.db2.gz OQDSACGBAMDRDU-UHFFFAOYSA-N 2 1 276.424 3.366 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788478915 629057585 /nfs/dbraw/zinc/05/75/85/629057585.db2.gz LCGYCFLIYFPUPA-GOSISDBHSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544367 629603878 /nfs/dbraw/zinc/60/38/78/629603878.db2.gz RQGQCDBDTANHNU-SFHVURJKSA-N 2 1 287.451 3.089 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544367 629603881 /nfs/dbraw/zinc/60/38/81/629603881.db2.gz RQGQCDBDTANHNU-SFHVURJKSA-N 2 1 287.451 3.089 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000925493647 630059401 /nfs/dbraw/zinc/05/94/01/630059401.db2.gz YHRBFGNTLIIRTG-OWQGQXMQSA-N 2 1 266.388 3.004 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000798957045 630128250 /nfs/dbraw/zinc/12/82/50/630128250.db2.gz JVCYYZSIGKOEPL-UHFFFAOYSA-N 2 1 276.424 3.150 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC000799178775 630153127 /nfs/dbraw/zinc/15/31/27/630153127.db2.gz JPIMETLXVIEEEZ-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)C(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000808716474 630296754 /nfs/dbraw/zinc/29/67/54/630296754.db2.gz XLTDBFNZSJIPPA-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000808716474 630296757 /nfs/dbraw/zinc/29/67/57/630296757.db2.gz XLTDBFNZSJIPPA-KRWDZBQOSA-N 2 1 294.483 3.046 20 0 CGADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000806127985 630545594 /nfs/dbraw/zinc/54/55/94/630545594.db2.gz LOMLUTMTOOVZLM-CQSZACIVSA-N 2 1 293.842 3.188 20 0 CGADMP CSC1(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCC1 ZINC000811506767 631077761 /nfs/dbraw/zinc/07/77/61/631077761.db2.gz FACHBWRDVGNCCI-UHFFFAOYSA-N 2 1 292.492 3.466 20 0 CGADMP CC[N@@H+](CCNc1cc[nH+]c2cc(OC)ccc12)C(C)C ZINC000811799121 631120340 /nfs/dbraw/zinc/12/03/40/631120340.db2.gz QYJZWKSBWMLTBT-UHFFFAOYSA-N 2 1 287.407 3.386 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144563 631729449 /nfs/dbraw/zinc/72/94/49/631729449.db2.gz JWOSFCHOCPLYEK-PKOBYXMFSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815144563 631729451 /nfs/dbraw/zinc/72/94/51/631729451.db2.gz JWOSFCHOCPLYEK-PKOBYXMFSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815144563 631729452 /nfs/dbraw/zinc/72/94/52/631729452.db2.gz JWOSFCHOCPLYEK-PKOBYXMFSA-N 2 1 286.463 3.425 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000815560532 631795737 /nfs/dbraw/zinc/79/57/37/631795737.db2.gz JQBNIYMRXLWMKF-CWRNSKLLSA-N 2 1 276.399 3.412 20 0 CGADMP CSCCCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817922363 632235069 /nfs/dbraw/zinc/23/50/69/632235069.db2.gz VLGDPBHBNCOOJB-GFCCVEGCSA-N 2 1 267.442 3.068 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)CCO2 ZINC000817957786 632251886 /nfs/dbraw/zinc/25/18/86/632251886.db2.gz DWJIUOHNWOSQDT-SUMWQHHRSA-N 2 1 288.435 3.180 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1C ZINC000817957798 632252007 /nfs/dbraw/zinc/25/20/07/632252007.db2.gz FAAAEFGAAJFPBC-CABCVRRESA-N 2 1 278.440 3.336 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000817958779 632255040 /nfs/dbraw/zinc/25/50/40/632255040.db2.gz MILXBOQERYZVHS-GXTWGEPZSA-N 2 1 252.377 3.158 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1C ZINC000817963973 632258463 /nfs/dbraw/zinc/25/84/63/632258463.db2.gz ZSVHREAQKZZKDK-OCCSQVGLSA-N 2 1 252.377 3.302 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817966411 632261323 /nfs/dbraw/zinc/26/13/23/632261323.db2.gz NGHMTUWCYNBBMD-NOZJJQNGSA-N 2 1 286.391 3.316 20 0 CGADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])ccc1SC(F)F ZINC000817971360 632263973 /nfs/dbraw/zinc/26/39/73/632263973.db2.gz LNGKRXYGZHFBNP-DTWKUNHWSA-N 2 1 290.379 3.008 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCO2 ZINC000817982517 632273378 /nfs/dbraw/zinc/27/33/78/632273378.db2.gz UQAMZNCKLGHQBF-IAGOWNOFSA-N 2 1 288.435 3.180 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccncc1 ZINC000820811083 632680870 /nfs/dbraw/zinc/68/08/70/632680870.db2.gz KLNWWOZEPKLVOT-NXCDMZCRSA-N 2 1 285.435 3.280 20 0 CGADMP ClC1(Cl)C[C@H]1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000822750073 633015217 /nfs/dbraw/zinc/01/52/17/633015217.db2.gz HKHGJWCIWZQUHM-GHMZBOCLSA-N 2 1 288.222 3.173 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC000866240450 633040682 /nfs/dbraw/zinc/04/06/82/633040682.db2.gz FSLHQSKJUTXZSO-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC000866240450 633040688 /nfs/dbraw/zinc/04/06/88/633040688.db2.gz FSLHQSKJUTXZSO-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879998124 635894568 /nfs/dbraw/zinc/89/45/68/635894568.db2.gz LLNVJCAFGGEAJF-IBGZPJMESA-N 2 1 295.430 3.172 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879998124 635894569 /nfs/dbraw/zinc/89/45/69/635894569.db2.gz LLNVJCAFGGEAJF-IBGZPJMESA-N 2 1 295.430 3.172 20 0 CGADMP C[N@H+](Cc1c(Cl)cncc1Cl)C1CCC([NH3+])CC1 ZINC000866660045 633229331 /nfs/dbraw/zinc/22/93/31/633229331.db2.gz AWYVUMOZBIPDJY-UHFFFAOYSA-N 2 1 288.222 3.090 20 0 CGADMP C[N@@H+](Cc1c(Cl)cncc1Cl)C1CCC([NH3+])CC1 ZINC000866660045 633229332 /nfs/dbraw/zinc/22/93/32/633229332.db2.gz AWYVUMOZBIPDJY-UHFFFAOYSA-N 2 1 288.222 3.090 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000866702574 633234163 /nfs/dbraw/zinc/23/41/63/633234163.db2.gz CRNMZBHCWJDOBD-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000866702574 633234169 /nfs/dbraw/zinc/23/41/69/633234169.db2.gz CRNMZBHCWJDOBD-MRXNPFEDSA-N 2 1 282.378 3.162 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)[C@H](C)C1 ZINC000846033763 636133494 /nfs/dbraw/zinc/13/34/94/636133494.db2.gz PJHFIUOZYPJABD-XJFOESAGSA-N 2 1 276.827 3.011 20 0 CGADMP CC(C)C[C@H](C)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785050 633863664 /nfs/dbraw/zinc/86/36/64/633863664.db2.gz OVZPHBQKBGAYCV-AVOUXACISA-N 2 1 281.444 3.040 20 0 CGADMP CC(C)C[C@H](C)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785050 633863667 /nfs/dbraw/zinc/86/36/67/633863667.db2.gz OVZPHBQKBGAYCV-AVOUXACISA-N 2 1 281.444 3.040 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000872017394 633938122 /nfs/dbraw/zinc/93/81/22/633938122.db2.gz AVNRHSWYCDTQPW-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)CC ZINC000872025644 633946256 /nfs/dbraw/zinc/94/62/56/633946256.db2.gz QRLQZIBSRWXGBV-ZNMIVQPWSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872034414 633953021 /nfs/dbraw/zinc/95/30/21/633953021.db2.gz NRYATKAMHXAJOC-BRWVUGGUSA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000872086218 634011587 /nfs/dbraw/zinc/01/15/87/634011587.db2.gz SUWIUWDKXCKFQI-NUJGCVRESA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000872086218 634011593 /nfs/dbraw/zinc/01/15/93/634011593.db2.gz SUWIUWDKXCKFQI-NUJGCVRESA-N 2 1 294.483 3.188 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000846217803 636161280 /nfs/dbraw/zinc/16/12/80/636161280.db2.gz CEBKSCCECYBMRD-KRWDZBQOSA-N 2 1 276.424 3.049 20 0 CGADMP COc1cccc(C[C@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000846218728 636161418 /nfs/dbraw/zinc/16/14/18/636161418.db2.gz SBGNKGHTIXONIO-QGZVFWFLSA-N 2 1 290.451 3.221 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3ncccc23)C1 ZINC000873131568 634252469 /nfs/dbraw/zinc/25/24/69/634252469.db2.gz VYNUPUAAOJZORG-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CC[C@H](NCc2ccc(O)c(Cl)c2)CC1(C)C ZINC000873179860 634273681 /nfs/dbraw/zinc/27/36/81/634273681.db2.gz QFTSAWBZDDEOHS-LBPRGKRZSA-N 2 1 282.815 3.008 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)nc1 ZINC000834909056 634283979 /nfs/dbraw/zinc/28/39/79/634283979.db2.gz JOISNALXHXGZAI-GFCCVEGCSA-N 2 1 281.831 3.260 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2cncs2)C1)C1CCCC1 ZINC000873232458 634294361 /nfs/dbraw/zinc/29/43/61/634294361.db2.gz QEEREOZHSBTEFI-CJNGLKHVSA-N 2 1 293.480 3.263 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876897136 634924158 /nfs/dbraw/zinc/92/41/58/634924158.db2.gz QAFNKVOYGDXFEU-NWDGAFQWSA-N 2 1 279.255 3.034 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000840809162 635055575 /nfs/dbraw/zinc/05/55/75/635055575.db2.gz PSWGMSGYHMEBMD-CABCVRRESA-N 2 1 288.435 3.004 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000841049576 635114352 /nfs/dbraw/zinc/11/43/52/635114352.db2.gz LRCOJYQUIPURKJ-GFCCVEGCSA-N 2 1 290.354 3.125 20 0 CGADMP CCCCn1nc(C)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1Cl ZINC000841054998 635115533 /nfs/dbraw/zinc/11/55/33/635115533.db2.gz KBIFAWFWVDJLDA-QWHCGFSZSA-N 2 1 298.862 3.005 20 0 CGADMP CCCCCCOc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000841062722 635116983 /nfs/dbraw/zinc/11/69/83/635116983.db2.gz BQQFQCLVQXPHQJ-AWEZNQCLSA-N 2 1 264.413 3.083 20 0 CGADMP C(CC1CC1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878120395 635366612 /nfs/dbraw/zinc/36/66/12/635366612.db2.gz HMFYHKSUYBRRSV-INIZCTEOSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])CCc1ccc(F)cc1 ZINC000842471985 635376227 /nfs/dbraw/zinc/37/62/27/635376227.db2.gz KOAIKBNWKZMPIW-UHFFFAOYSA-N 2 1 266.404 3.209 20 0 CGADMP C[C@H](c1cccc(O)c1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471968 635376491 /nfs/dbraw/zinc/37/64/91/635376491.db2.gz JOXVQPIGJOPSIA-CQSZACIVSA-N 2 1 264.413 3.294 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000842476122 635377550 /nfs/dbraw/zinc/37/75/50/635377550.db2.gz HHTBSKNRIRCVJF-UHFFFAOYSA-N 2 1 282.378 3.232 20 0 CGADMP Cc1ccccc1[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000842473474 635378646 /nfs/dbraw/zinc/37/86/46/635378646.db2.gz VIJUUWMOSQJRKM-SFHVURJKSA-N 2 1 290.451 3.278 20 0 CGADMP C=C/C=C\CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411780 635494620 /nfs/dbraw/zinc/49/46/20/635494620.db2.gz NUDQYKBFSGXUGP-MSNYOWOLSA-N 2 1 262.441 3.361 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3cccc(OC)c3o2)CC[C@@H]1[NH3+] ZINC000843052735 635549638 /nfs/dbraw/zinc/54/96/38/635549638.db2.gz SHDCTPHUALZOEG-DOMZBBRYSA-N 2 1 288.391 3.001 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc3cccc(OC)c3o2)CC[C@H]1[NH3+] ZINC000843052738 635549986 /nfs/dbraw/zinc/54/99/86/635549986.db2.gz SHDCTPHUALZOEG-IUODEOHRSA-N 2 1 288.391 3.001 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1coc2ccccc12 ZINC000843054245 635551808 /nfs/dbraw/zinc/55/18/08/635551808.db2.gz SULRZAFHJBTJPR-GOOCMWNKSA-N 2 1 270.376 3.277 20 0 CGADMP CC[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843055745 635552681 /nfs/dbraw/zinc/55/26/81/635552681.db2.gz NUUZJJLKDTXEIJ-ODIFPOPNSA-N 2 1 260.425 3.382 20 0 CGADMP C[N@@H+](CC1CC2(CCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608025 635567883 /nfs/dbraw/zinc/56/78/83/635567883.db2.gz DKOXBNQJDKHNGF-XYPWUTKMSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+](CC1CC2(CCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608025 635567886 /nfs/dbraw/zinc/56/78/86/635567886.db2.gz DKOXBNQJDKHNGF-XYPWUTKMSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+](CC1CC2(CCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608025 635567895 /nfs/dbraw/zinc/56/78/95/635567895.db2.gz DKOXBNQJDKHNGF-XYPWUTKMSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000878653182 635592721 /nfs/dbraw/zinc/59/27/21/635592721.db2.gz ZYYZTQRAROPODP-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000878653182 635592730 /nfs/dbraw/zinc/59/27/30/635592730.db2.gz ZYYZTQRAROPODP-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000878653182 635592736 /nfs/dbraw/zinc/59/27/36/635592736.db2.gz ZYYZTQRAROPODP-CABCVRRESA-N 2 1 286.410 3.230 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)CCc1ccccc1F ZINC000843358648 635654101 /nfs/dbraw/zinc/65/41/01/635654101.db2.gz KBMODPKOUXAKDI-UHFFFAOYSA-N 2 1 278.415 3.080 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000997 635895292 /nfs/dbraw/zinc/89/52/92/635895292.db2.gz ORKRMNGRBDXGJR-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000997 635895293 /nfs/dbraw/zinc/89/52/93/635895293.db2.gz ORKRMNGRBDXGJR-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000997 635895295 /nfs/dbraw/zinc/89/52/95/635895295.db2.gz ORKRMNGRBDXGJR-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000846218761 636161918 /nfs/dbraw/zinc/16/19/18/636161918.db2.gz UPMVDNSERMTVAH-CQSZACIVSA-N 2 1 252.427 3.404 20 0 CGADMP CC(C)c1c[nH]c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000882891907 636449039 /nfs/dbraw/zinc/44/90/39/636449039.db2.gz IDUKQMPEMVQKMA-OAHLLOKOSA-N 2 1 292.471 3.277 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000131037121 636546105 /nfs/dbraw/zinc/54/61/05/636546105.db2.gz GUSIMMDLIFNBCY-AWEZNQCLSA-N 2 1 258.365 3.136 20 0 CGADMP C([NH2+][C@H]1CCCC2(CC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000883237719 636606707 /nfs/dbraw/zinc/60/67/07/636606707.db2.gz IPIAVJGLDHYHOS-IRXDYDNUSA-N 2 1 276.468 3.421 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CC3CC3)CC2)CC1(C)C ZINC000883248382 636618968 /nfs/dbraw/zinc/61/89/68/636618968.db2.gz RBCRBVKNGQZKJJ-CQSZACIVSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[N@H+](C)C2CC2)cc1 ZINC000848997474 636709426 /nfs/dbraw/zinc/70/94/26/636709426.db2.gz KJLRUAIUTDTDHH-ZDUSSCGKSA-N 2 1 288.439 3.231 20 0 CGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CC2)cc1 ZINC000848997474 636709429 /nfs/dbraw/zinc/70/94/29/636709429.db2.gz KJLRUAIUTDTDHH-ZDUSSCGKSA-N 2 1 288.439 3.231 20 0 CGADMP CC1(C)C[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C(C)(C)O1 ZINC000883424280 636751689 /nfs/dbraw/zinc/75/16/89/636751689.db2.gz MTFLBHCCTXSMQU-XHSDSOJGSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883435289 636755282 /nfs/dbraw/zinc/75/52/82/636755282.db2.gz OEVOGGQTTSOFFJ-NRSFXHEJSA-N 2 1 288.435 3.108 20 0 CGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc2ccccc2nc1Cl ZINC000883441924 636758911 /nfs/dbraw/zinc/75/89/11/636758911.db2.gz ALTIXFCEWMEHRP-KBPBESRZSA-N 2 1 289.810 3.104 20 0 CGADMP FC1(F)CCC[C@@H]1CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883460351 636761970 /nfs/dbraw/zinc/76/19/70/636761970.db2.gz VEGVXEYODXNBNI-CYBMUJFWSA-N 2 1 272.383 3.030 20 0 CGADMP C[C@H]1CC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H](C)C1 ZINC000850355299 637025022 /nfs/dbraw/zinc/02/50/22/637025022.db2.gz DQAICGABHUMDJN-CHWSQXEVSA-N 2 1 295.496 3.367 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885953691 637329053 /nfs/dbraw/zinc/32/90/53/637329053.db2.gz CWWWPTQUXBWXIT-RRGWEWPQSA-N 2 1 276.399 3.160 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000885979865 637341701 /nfs/dbraw/zinc/34/17/01/637341701.db2.gz NVUMFJGJOYJZCO-WBVHZDCISA-N 2 1 264.457 3.227 20 0 CGADMP c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000886348981 637507665 /nfs/dbraw/zinc/50/76/65/637507665.db2.gz WOWOOTDFVQYMDY-HDICACEKSA-N 2 1 270.420 3.124 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCOCCC(C)C)CC2)[nH+]c1C ZINC000886668232 637641984 /nfs/dbraw/zinc/64/19/84/637641984.db2.gz PCVSCIKQWTWRSP-UHFFFAOYSA-N 2 1 293.455 3.269 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000886860329 637715675 /nfs/dbraw/zinc/71/56/75/637715675.db2.gz ZXRHVOYJXBTNNX-UONOGXRCSA-N 2 1 294.389 3.144 20 0 CGADMP CC(C)[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[NH+]1CCCC1 ZINC000924633126 638380436 /nfs/dbraw/zinc/38/04/36/638380436.db2.gz USCUIHIVKQIWEP-UPTPFMHGSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1(Cl)CC1 ZINC000924689433 638386652 /nfs/dbraw/zinc/38/66/52/638386652.db2.gz XQDZCYBBMQNLLN-ZIAGYGMSSA-N 2 1 272.864 3.248 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1(Cl)CC1 ZINC000924689431 638387577 /nfs/dbraw/zinc/38/75/77/638387577.db2.gz XQDZCYBBMQNLLN-UONOGXRCSA-N 2 1 272.864 3.248 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2ccccc2[nH]1 ZINC000924699396 638390533 /nfs/dbraw/zinc/39/05/33/638390533.db2.gz SCGRITDLTIFUPF-NUEKZKHPSA-N 2 1 283.419 3.445 20 0 CGADMP C[C@H]([NH2+]CCCC[NH+](C)C)C(F)(F)c1ccccc1 ZINC000924854936 638415895 /nfs/dbraw/zinc/41/58/95/638415895.db2.gz OGQPUUPBJXOVHH-ZDUSSCGKSA-N 2 1 270.367 3.098 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000924949508 638429527 /nfs/dbraw/zinc/42/95/27/638429527.db2.gz GPTLCHABVJKZBT-NWDGAFQWSA-N 2 1 291.370 3.023 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccns2)c1 ZINC000924961525 638432999 /nfs/dbraw/zinc/43/29/99/638432999.db2.gz WLGSSVXZAPQLFV-CYBMUJFWSA-N 2 1 289.448 3.446 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000925050592 638442341 /nfs/dbraw/zinc/44/23/41/638442341.db2.gz FSBNPQNPRUURGX-VIYLOZMYSA-N 2 1 282.497 3.267 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000925050592 638442346 /nfs/dbraw/zinc/44/23/46/638442346.db2.gz FSBNPQNPRUURGX-VIYLOZMYSA-N 2 1 282.497 3.267 20 0 CGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000925586785 638537991 /nfs/dbraw/zinc/53/79/91/638537991.db2.gz FJSGIQVSEXSYOB-KZNAEPCWSA-N 2 1 298.515 3.274 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000925588937 638538220 /nfs/dbraw/zinc/53/82/20/638538220.db2.gz TUUSIDDNOLNFRN-CZUORRHYSA-N 2 1 293.455 3.310 20 0 CGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000925588937 638538229 /nfs/dbraw/zinc/53/82/29/638538229.db2.gz TUUSIDDNOLNFRN-CZUORRHYSA-N 2 1 293.455 3.310 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000925630127 638548941 /nfs/dbraw/zinc/54/89/41/638548941.db2.gz RKGUCTGDUGWZMV-DDBAPUKQSA-N 2 1 290.451 3.258 20 0 CGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000925702743 638572009 /nfs/dbraw/zinc/57/20/09/638572009.db2.gz BODZMZWFJDLJII-MPLXBHQASA-N 2 1 298.352 3.023 20 0 CGADMP c1ccc2c(CC[NH2+][C@@H]3CC[NH2+]C34CCCC4)ccnc2c1 ZINC000925708728 638575190 /nfs/dbraw/zinc/57/51/90/638575190.db2.gz RUSKOUYDSOIZQI-GOSISDBHSA-N 2 1 295.430 3.042 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccccc1 ZINC000925725926 638584722 /nfs/dbraw/zinc/58/47/22/638584722.db2.gz ODHYLRKTJWWURZ-QOKNQOGYSA-N 2 1 295.430 3.264 20 0 CGADMP CC[C@H](C1CCCCC1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752878 638597028 /nfs/dbraw/zinc/59/70/28/638597028.db2.gz ZQZBIZBPAZUTTK-CQSZACIVSA-N 2 1 293.480 3.319 20 0 CGADMP C[C@H]([NH2+]CC1(c2cccc(F)c2)CCC1)c1c[nH+]ccc1N ZINC000925830931 638625827 /nfs/dbraw/zinc/62/58/27/638625827.db2.gz IJSYENZRVXRSGN-ZDUSSCGKSA-N 2 1 299.393 3.406 20 0 CGADMP CC[C@H]([NH2+]CCc1cnc2ccccc2c1)[C@H]1CCCC[NH2+]1 ZINC000925835477 638627184 /nfs/dbraw/zinc/62/71/84/638627184.db2.gz QBNXEDWJRLRXTF-PKOBYXMFSA-N 2 1 297.446 3.288 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000858491585 638741102 /nfs/dbraw/zinc/74/11/02/638741102.db2.gz KWEKQXYQTUHDOR-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000858491585 638741105 /nfs/dbraw/zinc/74/11/05/638741105.db2.gz KWEKQXYQTUHDOR-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000858490754 638741296 /nfs/dbraw/zinc/74/12/96/638741296.db2.gz NLSKIMVMUYEXNG-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926573696 638787003 /nfs/dbraw/zinc/78/70/03/638787003.db2.gz OGOZWWVHBFJPKY-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1(Cl)CC1 ZINC000926635203 638792902 /nfs/dbraw/zinc/79/29/02/638792902.db2.gz MBGDGFNZJHUKDG-BMFZPTHFSA-N 2 1 292.854 3.081 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCC(C)(F)F)C1 ZINC000929764739 638948878 /nfs/dbraw/zinc/94/88/78/638948878.db2.gz ZUXZPOYOTULTHA-CQSZACIVSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](CCCC(C)(F)F)C2)CC1 ZINC000930309105 638990179 /nfs/dbraw/zinc/99/01/79/638990179.db2.gz GGWGKGFHZBTKRU-UHFFFAOYSA-N 2 1 274.399 3.230 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1C ZINC000932568456 639357516 /nfs/dbraw/zinc/35/75/16/639357516.db2.gz CGWXNMUFLURWKZ-AWEZNQCLSA-N 2 1 287.407 3.021 20 0 CGADMP Cn1cncc1CC[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932922765 639400223 /nfs/dbraw/zinc/40/02/23/639400223.db2.gz NGGJACPTDHUSHN-MRXNPFEDSA-N 2 1 289.448 3.121 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000250537485 640813755 /nfs/dbraw/zinc/81/37/55/640813755.db2.gz ZLNQVYMZLBMNPJ-SJORKVTESA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+](Cc1sccc1Cl)C1CCC([NH3+])CC1 ZINC000304347280 640861369 /nfs/dbraw/zinc/86/13/69/640861369.db2.gz FZVWBXPMGRKEPP-UHFFFAOYSA-N 2 1 258.818 3.103 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)(F)F ZINC001575565803 962399574 /nfs/dbraw/zinc/39/95/74/962399574.db2.gz PVLTWBWEHKWAPE-RYUDHWBXSA-N 2 1 266.351 3.167 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)(F)F ZINC001575565803 962399594 /nfs/dbraw/zinc/39/95/94/962399594.db2.gz PVLTWBWEHKWAPE-RYUDHWBXSA-N 2 1 266.351 3.167 20 0 CGADMP CCc1cc(NCc2cccc(C[NH+](C)C)c2)nc(C)[nH+]1 ZINC001156048083 805646587 /nfs/dbraw/zinc/64/65/87/805646587.db2.gz NJHVPIPKNXAYNW-UHFFFAOYSA-N 2 1 284.407 3.021 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC001253096809 806166370 /nfs/dbraw/zinc/16/63/70/806166370.db2.gz WKJXMXCZCRCMRX-LSDHHAIUSA-N 2 1 288.435 3.004 20 0 CGADMP CCCCCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001257369305 807127744 /nfs/dbraw/zinc/12/77/44/807127744.db2.gz WGGGDEXBYKAZDH-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001257369305 807127752 /nfs/dbraw/zinc/12/77/52/807127752.db2.gz WGGGDEXBYKAZDH-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP FC1(F)CCC([NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC001254216721 806367069 /nfs/dbraw/zinc/36/70/69/806367069.db2.gz MHJAFIJILQRDPN-UHFFFAOYSA-N 2 1 272.383 3.125 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H](C)C1 ZINC001254216862 806367850 /nfs/dbraw/zinc/36/78/50/806367850.db2.gz NXNACMNDMKBXNO-OCCSQVGLSA-N 2 1 274.399 3.273 20 0 CGADMP [NH3+]C1(c2cccnc2)CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254437200 806398433 /nfs/dbraw/zinc/39/84/33/806398433.db2.gz NHLAQOJJUIBUDJ-UHFFFAOYSA-N 2 1 285.435 3.054 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC001254504472 806423353 /nfs/dbraw/zinc/42/33/53/806423353.db2.gz BNKOYJUKBUNWNT-LRDDRELGSA-N 2 1 278.827 3.401 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c(C)c1 ZINC001254500976 806421707 /nfs/dbraw/zinc/42/17/07/806421707.db2.gz NICWLJATYVMYPS-MRXNPFEDSA-N 2 1 260.425 3.186 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC001254504258 806423396 /nfs/dbraw/zinc/42/33/96/806423396.db2.gz STORLHGGARCLRY-HNNXBMFYSA-N 2 1 278.827 3.403 20 0 CGADMP Cc1ccc(C(C)(C)[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254505034 806425320 /nfs/dbraw/zinc/42/53/20/806425320.db2.gz YDGLZDKPXYFYPM-MRXNPFEDSA-N 2 1 260.425 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC001254508887 806427294 /nfs/dbraw/zinc/42/72/94/806427294.db2.gz UFUZAFFUXBKMPJ-IAGOWNOFSA-N 2 1 276.399 3.351 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)CC1 ZINC001254506754 806427343 /nfs/dbraw/zinc/42/73/43/806427343.db2.gz ZCZPKVQCPUELAQ-AWEZNQCLSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)CC1 ZINC001254506754 806427346 /nfs/dbraw/zinc/42/73/46/806427346.db2.gz ZCZPKVQCPUELAQ-AWEZNQCLSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCCCCCCCCCO)CC1 ZINC001254506915 806428793 /nfs/dbraw/zinc/42/87/93/806428793.db2.gz CRFDRGKFCGEWOL-QGZVFWFLSA-N 2 1 284.488 3.173 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510771 806430127 /nfs/dbraw/zinc/43/01/27/806430127.db2.gz QKSDGEBFXMKSQH-NVXWUHKLSA-N 2 1 276.399 3.277 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001254523333 806437783 /nfs/dbraw/zinc/43/77/83/806437783.db2.gz OHJIUQAARUKZSK-QZTJIDSGSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001254523333 806437787 /nfs/dbraw/zinc/43/77/87/806437787.db2.gz OHJIUQAARUKZSK-QZTJIDSGSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001254523333 806437791 /nfs/dbraw/zinc/43/77/91/806437791.db2.gz OHJIUQAARUKZSK-QZTJIDSGSA-N 2 1 272.436 3.350 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254525656 806438865 /nfs/dbraw/zinc/43/88/65/806438865.db2.gz KKEZSKAXRXLJCQ-CABCVRRESA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254525656 806438872 /nfs/dbraw/zinc/43/88/72/806438872.db2.gz KKEZSKAXRXLJCQ-CABCVRRESA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525656 806438881 /nfs/dbraw/zinc/43/88/81/806438881.db2.gz KKEZSKAXRXLJCQ-CABCVRRESA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH+](C)CC2)cc1 ZINC001254522973 806439401 /nfs/dbraw/zinc/43/94/01/806439401.db2.gz LFDDJJOSRLDGOU-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254522973 806439407 /nfs/dbraw/zinc/43/94/07/806439407.db2.gz LFDDJJOSRLDGOU-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254522973 806439413 /nfs/dbraw/zinc/43/94/13/806439413.db2.gz LFDDJJOSRLDGOU-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525070 806439550 /nfs/dbraw/zinc/43/95/50/806439550.db2.gz FQJWFZJLVLEXDR-DKISHCGFSA-N 2 1 258.409 3.116 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525070 806439553 /nfs/dbraw/zinc/43/95/53/806439553.db2.gz FQJWFZJLVLEXDR-DKISHCGFSA-N 2 1 258.409 3.116 20 0 CGADMP C[NH+](C/C=C/c1ccccc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525070 806439556 /nfs/dbraw/zinc/43/95/56/806439556.db2.gz FQJWFZJLVLEXDR-DKISHCGFSA-N 2 1 258.409 3.116 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522811 806440215 /nfs/dbraw/zinc/44/02/15/806440215.db2.gz JOMKLTCTLFJXJF-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522811 806440218 /nfs/dbraw/zinc/44/02/18/806440218.db2.gz JOMKLTCTLFJXJF-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522811 806440226 /nfs/dbraw/zinc/44/02/26/806440226.db2.gz JOMKLTCTLFJXJF-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001254524637 806440509 /nfs/dbraw/zinc/44/05/09/806440509.db2.gz YBVJWLDESGKRSQ-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001254524637 806440514 /nfs/dbraw/zinc/44/05/14/806440514.db2.gz YBVJWLDESGKRSQ-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001254524637 806440520 /nfs/dbraw/zinc/44/05/20/806440520.db2.gz YBVJWLDESGKRSQ-QZTJIDSGSA-N 2 1 272.436 3.035 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254527417 806442306 /nfs/dbraw/zinc/44/23/06/806442306.db2.gz XZNMKJZVEWUOQX-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254527417 806442309 /nfs/dbraw/zinc/44/23/09/806442309.db2.gz XZNMKJZVEWUOQX-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254527417 806442312 /nfs/dbraw/zinc/44/23/12/806442312.db2.gz XZNMKJZVEWUOQX-INIZCTEOSA-N 2 1 264.388 3.132 20 0 CGADMP Cc1ccc([C@@H]2CCC[NH+]2[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC001254529827 806442759 /nfs/dbraw/zinc/44/27/59/806442759.db2.gz RIYDAPKJGKBZBL-SJORKVTESA-N 2 1 273.424 3.011 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH+](C)CC2)cn1 ZINC001254529827 806442763 /nfs/dbraw/zinc/44/27/63/806442763.db2.gz RIYDAPKJGKBZBL-SJORKVTESA-N 2 1 273.424 3.011 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCC[NH+](C)CC2)cn1 ZINC001254529827 806442765 /nfs/dbraw/zinc/44/27/65/806442765.db2.gz RIYDAPKJGKBZBL-SJORKVTESA-N 2 1 273.424 3.011 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCSc3ccccc3C2)CC1 ZINC001254529013 806442937 /nfs/dbraw/zinc/44/29/37/806442937.db2.gz BQULTJRSMBPHCB-HNNXBMFYSA-N 2 1 276.449 3.079 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCSc3ccccc3C2)CC1 ZINC001254529013 806442940 /nfs/dbraw/zinc/44/29/40/806442940.db2.gz BQULTJRSMBPHCB-HNNXBMFYSA-N 2 1 276.449 3.079 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCSc3ccccc3C2)CC1 ZINC001254529013 806442943 /nfs/dbraw/zinc/44/29/43/806442943.db2.gz BQULTJRSMBPHCB-HNNXBMFYSA-N 2 1 276.449 3.079 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001254526713 806443221 /nfs/dbraw/zinc/44/32/21/806443221.db2.gz TYYWIEWOYBLHMU-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001254526713 806443222 /nfs/dbraw/zinc/44/32/22/806443222.db2.gz TYYWIEWOYBLHMU-IRXDYDNUSA-N 2 1 264.457 3.373 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC001255016230 806527382 /nfs/dbraw/zinc/52/73/82/806527382.db2.gz OUIWJGCIXSABLO-INIZCTEOSA-N 2 1 272.436 3.006 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC001255016230 806527387 /nfs/dbraw/zinc/52/73/87/806527387.db2.gz OUIWJGCIXSABLO-INIZCTEOSA-N 2 1 272.436 3.006 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC001255059243 806534668 /nfs/dbraw/zinc/53/46/68/806534668.db2.gz UVTQENSTBMXJDB-QWHCGFSZSA-N 2 1 282.453 3.139 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC001255059243 806534672 /nfs/dbraw/zinc/53/46/72/806534672.db2.gz UVTQENSTBMXJDB-QWHCGFSZSA-N 2 1 282.453 3.139 20 0 CGADMP CC(C)[N@@H+](C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255398248 806633333 /nfs/dbraw/zinc/63/33/33/806633333.db2.gz JBKCGVIMAIFIOO-KRWDZBQOSA-N 2 1 260.425 3.381 20 0 CGADMP CC(C)[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255398248 806633339 /nfs/dbraw/zinc/63/33/39/806633339.db2.gz JBKCGVIMAIFIOO-KRWDZBQOSA-N 2 1 260.425 3.381 20 0 CGADMP CC(C)[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255398248 806633343 /nfs/dbraw/zinc/63/33/43/806633343.db2.gz JBKCGVIMAIFIOO-KRWDZBQOSA-N 2 1 260.425 3.381 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCSCC3)CC2)cc1 ZINC001255399894 806633525 /nfs/dbraw/zinc/63/35/25/806633525.db2.gz BMBPPJCVUCVZNM-QGZVFWFLSA-N 2 1 290.476 3.090 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CCOC(C)(C)C1 ZINC001255545580 806669333 /nfs/dbraw/zinc/66/93/33/806669333.db2.gz HGKYQUSCWJNOHP-YESZJQIVSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC(C)(C)C1 ZINC001255545580 806669335 /nfs/dbraw/zinc/66/93/35/806669335.db2.gz HGKYQUSCWJNOHP-YESZJQIVSA-N 2 1 294.483 3.283 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCOC(C)(C)C1 ZINC001255545580 806669340 /nfs/dbraw/zinc/66/93/40/806669340.db2.gz HGKYQUSCWJNOHP-YESZJQIVSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001162914343 806685417 /nfs/dbraw/zinc/68/54/17/806685417.db2.gz RZMAJJVOXZZYTJ-GFCCVEGCSA-N 2 1 292.386 3.181 20 0 CGADMP C[C@H](CC(F)(F)F)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255642538 806689865 /nfs/dbraw/zinc/68/98/65/806689865.db2.gz CTKHMHXKCQTKDZ-RAIGVLPGSA-N 2 1 278.362 3.309 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000037644547 798871505 /nfs/dbraw/zinc/87/15/05/798871505.db2.gz IOVWQIVQYIKREU-MRXNPFEDSA-N 2 1 260.425 3.043 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000037644661 798871971 /nfs/dbraw/zinc/87/19/71/798871971.db2.gz WTSONEHWRMJIHU-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP CC(C)c1cccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)[nH+]1 ZINC001163056330 806697289 /nfs/dbraw/zinc/69/72/89/806697289.db2.gz DLNFYWJDBFVWJL-OAHLLOKOSA-N 2 1 298.434 3.228 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681541 806703897 /nfs/dbraw/zinc/70/38/97/806703897.db2.gz WRXDMJCKWKYFTL-JPIQDLEPSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681541 806703903 /nfs/dbraw/zinc/70/39/03/806703903.db2.gz WRXDMJCKWKYFTL-JPIQDLEPSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681541 806703908 /nfs/dbraw/zinc/70/39/08/806703908.db2.gz WRXDMJCKWKYFTL-JPIQDLEPSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1C[C@@H](C)CC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681541 806703911 /nfs/dbraw/zinc/70/39/11/806703911.db2.gz WRXDMJCKWKYFTL-JPIQDLEPSA-N 2 1 250.430 3.122 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CSc1ccc(F)cc1 ZINC001255729074 806723287 /nfs/dbraw/zinc/72/32/87/806723287.db2.gz FEQILPFGMBNYOY-ZDUSSCGKSA-N 2 1 284.444 3.367 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)CSc1ccc(F)cc1 ZINC001255734459 806725775 /nfs/dbraw/zinc/72/57/75/806725775.db2.gz XHZRDSQRHNXCAE-ZDUSSCGKSA-N 2 1 284.444 3.366 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1C ZINC000300515171 799204880 /nfs/dbraw/zinc/20/48/80/799204880.db2.gz ASOORQXIESSYEG-HZPDHXFCSA-N 2 1 260.425 3.171 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000315751897 799238626 /nfs/dbraw/zinc/23/86/26/799238626.db2.gz GRUJXUHSEIHOHH-GJZGRUSLSA-N 2 1 298.430 3.408 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000378672595 799342756 /nfs/dbraw/zinc/34/27/56/799342756.db2.gz LKEYXIZHWULECE-LBPRGKRZSA-N 2 1 272.314 3.019 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000378672595 799342763 /nfs/dbraw/zinc/34/27/63/799342763.db2.gz LKEYXIZHWULECE-LBPRGKRZSA-N 2 1 272.314 3.019 20 0 CGADMP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380908765 799369856 /nfs/dbraw/zinc/36/98/56/799369856.db2.gz JHRXDWFSSZPGRY-WMZOPIPTSA-N 2 1 298.430 3.322 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]12 ZINC000381944678 799390145 /nfs/dbraw/zinc/39/01/45/799390145.db2.gz ZUDWBJDQWCQSKA-NUEKZKHPSA-N 2 1 262.441 3.159 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000383819230 799408597 /nfs/dbraw/zinc/40/85/97/799408597.db2.gz HHCIYAPVTFPBDW-INIZCTEOSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000388853401 799456969 /nfs/dbraw/zinc/45/69/69/799456969.db2.gz JDKUJBHVLDWTCX-HNNXBMFYSA-N 2 1 297.446 3.440 20 0 CGADMP CC(C)Oc1cc[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001163366179 806750782 /nfs/dbraw/zinc/75/07/82/806750782.db2.gz SGAAMSBZMBGDNB-GOEBONIOSA-N 2 1 291.439 3.400 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C12CCC2 ZINC000405213924 799583026 /nfs/dbraw/zinc/58/30/26/799583026.db2.gz FBZDBVRMNSSWCE-YUELXQCFSA-N 2 1 292.423 3.222 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000469847312 799646555 /nfs/dbraw/zinc/64/65/55/799646555.db2.gz VTWXCDIHDXIMPO-WMLDXEAASA-N 2 1 274.452 3.196 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000469847312 799646561 /nfs/dbraw/zinc/64/65/61/799646561.db2.gz VTWXCDIHDXIMPO-WMLDXEAASA-N 2 1 274.452 3.196 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000469991890 799646848 /nfs/dbraw/zinc/64/68/48/799646848.db2.gz LAJIFOHJWYMRAG-DOTOQJQBSA-N 2 1 288.479 3.443 20 0 CGADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001255855232 806770446 /nfs/dbraw/zinc/77/04/46/806770446.db2.gz UHIHBQSERVVYCN-HNNXBMFYSA-N 2 1 290.426 3.174 20 0 CGADMP C[N@@H+](CC(C)(C)c1ccccc1)C1CCC([NH3+])CC1 ZINC000686666430 799736150 /nfs/dbraw/zinc/73/61/50/799736150.db2.gz CRZYQSLWJAWAHZ-UHFFFAOYSA-N 2 1 260.425 3.166 20 0 CGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687968022 799742717 /nfs/dbraw/zinc/74/27/17/799742717.db2.gz GJJGVRBNFVCMMC-DGCLKSJQSA-N 2 1 264.438 3.014 20 0 CGADMP C[C@H]1CC[C@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000687964932 799742867 /nfs/dbraw/zinc/74/28/67/799742867.db2.gz YQSWIJJXMDNHFZ-RYUDHWBXSA-N 2 1 264.438 3.014 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H]1C ZINC000687969387 799743592 /nfs/dbraw/zinc/74/35/92/799743592.db2.gz SSKAPWNLIMAMBJ-RYUDHWBXSA-N 2 1 264.438 3.014 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCc2cccs2)[C@@H]1CCC[NH3+] ZINC000693440830 799810587 /nfs/dbraw/zinc/81/05/87/799810587.db2.gz KYAZSIDFHFSHSZ-UKRRQHHQSA-N 2 1 266.454 3.130 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC000693928119 799817149 /nfs/dbraw/zinc/81/71/49/799817149.db2.gz ZMTWUUXZKMCNPD-ZBFHGGJFSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697088019 799843363 /nfs/dbraw/zinc/84/33/63/799843363.db2.gz RSIODRYGUCDQDX-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP C[NH+]1CCC2(CC[N@H+](C3CCCCCC3)C2)CC1 ZINC001255892882 806786026 /nfs/dbraw/zinc/78/60/26/806786026.db2.gz XIQLISHLMQXYFM-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703808725 799929341 /nfs/dbraw/zinc/92/93/41/799929341.db2.gz XLBJFBFWIZSDTD-WTXIUTQJSA-N 2 1 250.430 3.172 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703808724 799929646 /nfs/dbraw/zinc/92/96/46/799929646.db2.gz XLBJFBFWIZSDTD-UYTSQGDYSA-N 2 1 250.430 3.172 20 0 CGADMP CS[C@H]1CCCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000707329160 799977052 /nfs/dbraw/zinc/97/70/52/799977052.db2.gz LQMTYNGYVAOHQI-ZDUSSCGKSA-N 2 1 296.505 3.111 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCCc2ncccc21 ZINC001255947654 806793082 /nfs/dbraw/zinc/79/30/82/806793082.db2.gz ULEMDALSAFIMDO-YOEHRIQHSA-N 2 1 275.440 3.169 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](CC)CC)c1ccccn1 ZINC001255947821 806793558 /nfs/dbraw/zinc/79/35/58/806793558.db2.gz XDROVQNCYYBPHO-GJZGRUSLSA-N 2 1 263.429 3.243 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952248 806794990 /nfs/dbraw/zinc/79/49/90/806794990.db2.gz DPMGCWRMZNFZJY-BRWVUGGUSA-N 3 1 283.504 3.087 20 0 CGADMP C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)C ZINC000709146478 800004902 /nfs/dbraw/zinc/00/49/02/800004902.db2.gz AKVJNHAIDGQABZ-RDGKXADDSA-N 2 1 252.446 3.274 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]C(C)(C)c1ccncc1 ZINC001255951248 806795410 /nfs/dbraw/zinc/79/54/10/806795410.db2.gz OSCYCYNNHVXFFY-AWEZNQCLSA-N 2 1 263.429 3.027 20 0 CGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(F)cc1 ZINC000710943730 800043412 /nfs/dbraw/zinc/04/34/12/800043412.db2.gz LRVJMTHLIZJHQP-UHFFFAOYSA-N 2 1 290.407 3.165 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@](C)(F)CC1 ZINC001255957191 806798544 /nfs/dbraw/zinc/79/85/44/806798544.db2.gz PDGRQYIHGJDRKH-HUUCEWRRSA-N 2 1 258.425 3.321 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000714314602 800118723 /nfs/dbraw/zinc/11/87/23/800118723.db2.gz ITNQORIRPYUFCX-YYIAUSFCSA-N 2 1 264.457 3.419 20 0 CGADMP FC1(F)CCC2(C[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072126 806811393 /nfs/dbraw/zinc/81/13/93/806811393.db2.gz ILOACCICIHVOOV-CQSZACIVSA-N 2 1 284.394 3.171 20 0 CGADMP CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000720970436 800274794 /nfs/dbraw/zinc/27/47/94/800274794.db2.gz RUZQNCWFROXPRW-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723671019 800336120 /nfs/dbraw/zinc/33/61/20/800336120.db2.gz XVHHBPKOCIABOE-RYUDHWBXSA-N 2 1 252.789 3.072 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000824969669 800473158 /nfs/dbraw/zinc/47/31/58/800473158.db2.gz HTJHWKODCNZENV-FRRDWIJNSA-N 2 1 293.282 3.280 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](c2ccccc2F)C2CCC2)CC1 ZINC001256197763 806846833 /nfs/dbraw/zinc/84/68/33/806846833.db2.gz QWYRWWXOXOXZFR-KRWDZBQOSA-N 2 1 276.399 3.351 20 0 CGADMP Cc1[nH+]ccn1CCNc1cccc(N2CCCC[C@@H]2C)[nH+]1 ZINC001163920081 806851092 /nfs/dbraw/zinc/85/10/92/806851092.db2.gz QTJVBFSDTCHHQQ-AWEZNQCLSA-N 2 1 299.422 3.077 20 0 CGADMP COc1c[nH+]c(NCc2cccc(C[NH+](C)C)c2)cc1C ZINC001163993244 806870973 /nfs/dbraw/zinc/87/09/73/806870973.db2.gz HXSXMXCGJPJAJC-UHFFFAOYSA-N 2 1 285.391 3.072 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256525776 806909572 /nfs/dbraw/zinc/90/95/72/806909572.db2.gz FAMPTOSRAYLASU-VDHUWJSZSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256525776 806909575 /nfs/dbraw/zinc/90/95/75/806909575.db2.gz FAMPTOSRAYLASU-VDHUWJSZSA-N 2 1 290.426 3.377 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccc(N)cc3)CC2)CC1 ZINC001256568941 806917922 /nfs/dbraw/zinc/91/79/22/806917922.db2.gz LSVDYBLHADTPJX-UHFFFAOYSA-N 2 1 287.451 3.110 20 0 CGADMP COCC[C@H]1CCCC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256571732 806919516 /nfs/dbraw/zinc/91/95/16/806919516.db2.gz JTDBKUINZLQZGP-OAHLLOKOSA-N 2 1 282.472 3.140 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@](C)(C[NH3+])CC1 ZINC001164248566 806922820 /nfs/dbraw/zinc/92/28/20/806922820.db2.gz VBOMMLSUEIVWRP-SFHVURJKSA-N 2 1 283.419 3.499 20 0 CGADMP F[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256604883 806923494 /nfs/dbraw/zinc/92/34/94/806923494.db2.gz ZKRKPHAMTOZTAH-QGZVFWFLSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604883 806923500 /nfs/dbraw/zinc/92/35/00/806923500.db2.gz ZKRKPHAMTOZTAH-QGZVFWFLSA-N 2 1 290.426 3.475 20 0 CGADMP F[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604883 806923507 /nfs/dbraw/zinc/92/35/07/806923507.db2.gz ZKRKPHAMTOZTAH-QGZVFWFLSA-N 2 1 290.426 3.475 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256617446 806927547 /nfs/dbraw/zinc/92/75/47/806927547.db2.gz PGJGATIPFDRWCC-IXEWLPCDSA-N 2 1 299.462 3.220 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001164467265 806951704 /nfs/dbraw/zinc/95/17/04/806951704.db2.gz FWNCREFWIRZUEM-ZIAGYGMSSA-N 2 1 269.392 3.107 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)[C@H]2CCC[C@H]21 ZINC001117138992 802436584 /nfs/dbraw/zinc/43/65/84/802436584.db2.gz AMXJHXYOXABEHG-VHDGCEQUSA-N 2 1 296.817 3.442 20 0 CGADMP C[C@H]([NH2+]C/C=C\C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001117713835 802479938 /nfs/dbraw/zinc/47/99/38/802479938.db2.gz YJPSSMDEKVSGPB-YDCSTSJZSA-N 2 1 284.447 3.453 20 0 CGADMP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1cc(F)ccc1F ZINC001118057238 802521616 /nfs/dbraw/zinc/52/16/16/802521616.db2.gz CBTHLBURJYURFL-HZMBPMFUSA-N 2 1 256.340 3.004 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC001119306786 802646559 /nfs/dbraw/zinc/64/65/59/802646559.db2.gz UPXLXUIWYJYPQP-MRXNPFEDSA-N 2 1 282.472 3.140 20 0 CGADMP C1CCC([N@@H+]2CCC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 ZINC001256908179 807007752 /nfs/dbraw/zinc/00/77/52/807007752.db2.gz IIKKPEZALWALJO-WBTNSWJXSA-N 2 1 262.441 3.172 20 0 CGADMP C1CCC([N@H+]2CCC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 ZINC001256908179 807007759 /nfs/dbraw/zinc/00/77/59/807007759.db2.gz IIKKPEZALWALJO-WBTNSWJXSA-N 2 1 262.441 3.172 20 0 CGADMP CC(C)(C)CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256896911 807001895 /nfs/dbraw/zinc/00/18/95/807001895.db2.gz LWQWDVOSZPYWHL-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)(C)CC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896911 807001901 /nfs/dbraw/zinc/00/19/01/807001901.db2.gz LWQWDVOSZPYWHL-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC1(C)C[C@@H](C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CCO1 ZINC001256904513 807005537 /nfs/dbraw/zinc/00/55/37/807005537.db2.gz IGQQGEIJRUEHEJ-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP CC1(C)C[C@@H](C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CCO1 ZINC001256904513 807005545 /nfs/dbraw/zinc/00/55/45/807005545.db2.gz IGQQGEIJRUEHEJ-HOTGVXAUSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC001205281105 812928887 /nfs/dbraw/zinc/92/88/87/812928887.db2.gz POYGXRPPJRNSTF-LBPRGKRZSA-N 2 1 258.818 3.105 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC001205281105 812928892 /nfs/dbraw/zinc/92/88/92/812928892.db2.gz POYGXRPPJRNSTF-LBPRGKRZSA-N 2 1 258.818 3.105 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)s1 ZINC001205280734 812929195 /nfs/dbraw/zinc/92/91/95/812929195.db2.gz HIOSDUWTZZZMOQ-ZDUSSCGKSA-N 2 1 270.467 3.173 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811891 813444045 /nfs/dbraw/zinc/44/40/45/813444045.db2.gz WOZVGGNYGAUDMM-HZPDHXFCSA-N 2 1 290.451 3.341 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)c1 ZINC001206808700 813443403 /nfs/dbraw/zinc/44/34/03/813443403.db2.gz KBGXSGCYXJSOKM-QWHCGFSZSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)c1 ZINC001206808700 813443406 /nfs/dbraw/zinc/44/34/06/813443406.db2.gz KBGXSGCYXJSOKM-QWHCGFSZSA-N 2 1 296.842 3.298 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]3CCC[C@H]32)CCCC1 ZINC001208186528 813735633 /nfs/dbraw/zinc/73/56/33/813735633.db2.gz SYKMFYVLVMSJSK-JKSUJKDBSA-N 2 1 264.457 3.373 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137179271 803694476 /nfs/dbraw/zinc/69/44/76/803694476.db2.gz NVFBSUMGUYGUQK-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137179271 803694478 /nfs/dbraw/zinc/69/44/78/803694478.db2.gz NVFBSUMGUYGUQK-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4ncccc34)C[C@@H]2C1 ZINC001137632002 803748091 /nfs/dbraw/zinc/74/80/91/803748091.db2.gz KOZFPEQCDUUXSQ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4ncccc34)C[C@@H]2C1 ZINC001137632002 803748095 /nfs/dbraw/zinc/74/80/95/803748095.db2.gz KOZFPEQCDUUXSQ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4ncccc34)C[C@@H]2C1 ZINC001137632002 803748101 /nfs/dbraw/zinc/74/81/01/803748101.db2.gz KOZFPEQCDUUXSQ-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001137678282 803755433 /nfs/dbraw/zinc/75/54/33/803755433.db2.gz FZTUJADWVXTVTD-UHFFFAOYSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001137851640 803783808 /nfs/dbraw/zinc/78/38/08/803783808.db2.gz LTLYAESZHBDEDN-UHFFFAOYSA-N 2 1 272.436 3.221 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062700 803846945 /nfs/dbraw/zinc/84/69/45/803846945.db2.gz WSWXDDJJZNXTRS-YJBOKZPZSA-N 2 1 296.414 3.071 20 0 CGADMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062700 803846953 /nfs/dbraw/zinc/84/69/53/803846953.db2.gz WSWXDDJJZNXTRS-YJBOKZPZSA-N 2 1 296.414 3.071 20 0 CGADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062700 803846962 /nfs/dbraw/zinc/84/69/62/803846962.db2.gz WSWXDDJJZNXTRS-YJBOKZPZSA-N 2 1 296.414 3.071 20 0 CGADMP CCc1cccc2c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001138365579 803906897 /nfs/dbraw/zinc/90/68/97/803906897.db2.gz KGYVIXPTYRLBBD-IBGZPJMESA-N 2 1 297.446 3.258 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001138542699 803963543 /nfs/dbraw/zinc/96/35/43/803963543.db2.gz FNVDLVWFPOSQKA-CALCHBBNSA-N 2 1 281.403 3.413 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001138542699 803963548 /nfs/dbraw/zinc/96/35/48/803963548.db2.gz FNVDLVWFPOSQKA-CALCHBBNSA-N 2 1 281.403 3.413 20 0 CGADMP CCC[C@@H](O)C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246065178 804107282 /nfs/dbraw/zinc/10/72/82/804107282.db2.gz HKLNCLGRSQUKHE-KZNAEPCWSA-N 2 1 296.499 3.300 20 0 CGADMP CC(C)[C@H](O)C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069952 804108823 /nfs/dbraw/zinc/10/88/23/804108823.db2.gz ZSQWCWGUNDEVCJ-KZNAEPCWSA-N 2 1 296.499 3.156 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246089113 804122210 /nfs/dbraw/zinc/12/22/10/804122210.db2.gz BTPMWTFOMPINRJ-GXTWGEPZSA-N 2 1 266.816 3.003 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246097769 804129709 /nfs/dbraw/zinc/12/97/09/804129709.db2.gz MRAPRHNXYVZZRM-IUODEOHRSA-N 2 1 282.378 3.221 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)c21 ZINC001139196740 804157134 /nfs/dbraw/zinc/15/71/34/804157134.db2.gz SZZVTOUBXIERFV-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)C[C@H](CC)[NH2+]1 ZINC001246161300 804177008 /nfs/dbraw/zinc/17/70/08/804177008.db2.gz IXGIRTOJHXSVMK-PIIMJCKOSA-N 3 1 295.515 3.007 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)C[NH2+]1 ZINC001246176702 804191345 /nfs/dbraw/zinc/19/13/45/804191345.db2.gz ABCMPESQLPXYHD-SMDDNHRTSA-N 2 1 266.816 3.001 20 0 CGADMP CCCCCC[C@@H](CC)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246180125 804193554 /nfs/dbraw/zinc/19/35/54/804193554.db2.gz PNJABMITSQROGE-CABCVRRESA-N 2 1 258.425 3.417 20 0 CGADMP COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@@H]3CC[NH2+]3)ccc2c1 ZINC001246197782 804203398 /nfs/dbraw/zinc/20/33/98/804203398.db2.gz ANZIPXJRBXSTOP-KDOFPFPSSA-N 2 1 298.430 3.121 20 0 CGADMP CCCC[C@H](CC)COCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246218024 804213804 /nfs/dbraw/zinc/21/38/04/804213804.db2.gz YMTIEOSGZIHIKK-YESZJQIVSA-N 2 1 284.488 3.340 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246221908 804215842 /nfs/dbraw/zinc/21/58/42/804215842.db2.gz PKCGKKBJTLFZEY-KGLIPLIRSA-N 2 1 274.399 3.346 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCC2CCCCCCC2)C[NH2+]1 ZINC001246240747 804231702 /nfs/dbraw/zinc/23/17/02/804231702.db2.gz WTOGAXGKYKDDAV-GDBMZVCRSA-N 2 1 252.446 3.467 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](CC)C1)c1ccccc1F ZINC001246266830 804246861 /nfs/dbraw/zinc/24/68/61/804246861.db2.gz SAWZIMFDYFSCQB-WWGRRREGSA-N 2 1 264.388 3.397 20 0 CGADMP CCNCC[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246273502 804249424 /nfs/dbraw/zinc/24/94/24/804249424.db2.gz JOHYOYHYGIQGRV-JTQLQIEISA-N 2 1 290.785 3.138 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246273502 804249432 /nfs/dbraw/zinc/24/94/32/804249432.db2.gz JOHYOYHYGIQGRV-JTQLQIEISA-N 2 1 290.785 3.138 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC[NH2+]1 ZINC001246281326 804255946 /nfs/dbraw/zinc/25/59/46/804255946.db2.gz NPXIKMCQZHASDF-BPUTZDHNSA-N 2 1 276.399 3.315 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+]C(C)(C)c1ccccc1Cl ZINC001246309980 804271306 /nfs/dbraw/zinc/27/13/06/804271306.db2.gz KOEYSSPVNRNJDR-NSHDSACASA-N 2 1 254.805 3.163 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+][C@H](c1ccccc1)c1cccc(OC)c1 ZINC001246318690 804278945 /nfs/dbraw/zinc/27/89/45/804278945.db2.gz BHFOLQPIJIFQOD-HNAYVOBHSA-N 2 1 298.430 3.372 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246324603 804281888 /nfs/dbraw/zinc/28/18/88/804281888.db2.gz FZGKRJALHLLDAX-ZNMIVQPWSA-N 2 1 254.462 3.425 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246324600 804283292 /nfs/dbraw/zinc/28/32/92/804283292.db2.gz FZGKRJALHLLDAX-KKUMJFAQSA-N 2 1 254.462 3.425 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246344346 804295790 /nfs/dbraw/zinc/29/57/90/804295790.db2.gz ITMUJUNNGQOWDS-RISCZKNCSA-N 2 1 268.832 3.234 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)c(F)c1F ZINC001246352702 804299646 /nfs/dbraw/zinc/29/96/46/804299646.db2.gz UILFCHRSZRDSCN-NWDGAFQWSA-N 2 1 282.378 3.454 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246357539 804303558 /nfs/dbraw/zinc/30/35/58/804303558.db2.gz VXMYUEHDXUDRFD-UMPJEAMMSA-N 2 1 273.424 3.052 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2F)C[C@H](CC)[NH2+]1 ZINC001246358503 804304090 /nfs/dbraw/zinc/30/40/90/804304090.db2.gz QMHWVICBZWCLMC-FICVDOATSA-N 2 1 294.414 3.233 20 0 CGADMP Fc1ccccc1[C@H](CC1CC1)[NH2+]C1CC[NH2+]CC1 ZINC001246389406 804318359 /nfs/dbraw/zinc/31/83/59/804318359.db2.gz AYNMXCREXKRMEP-INIZCTEOSA-N 2 1 262.372 3.009 20 0 CGADMP c1ccc([C@@H](CC2CC2)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246403522 804321084 /nfs/dbraw/zinc/32/10/84/804321084.db2.gz GZLSQSJVWYVMPK-DLBZAZTESA-N 2 1 258.409 3.260 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001139931349 804328610 /nfs/dbraw/zinc/32/86/10/804328610.db2.gz MEIRARSUHYJVPU-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001139931349 804328618 /nfs/dbraw/zinc/32/86/18/804328618.db2.gz MEIRARSUHYJVPU-GOSISDBHSA-N 2 1 287.451 3.230 20 0 CGADMP CC[C@@]1([NH2+][C@H](C)Cc2ccc(Cl)cc2)CC[NH2+]C1 ZINC001246456470 804339074 /nfs/dbraw/zinc/33/90/74/804339074.db2.gz AYMDFMCDOJLDGB-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP CC[C@@]1([NH2+][C@@H](C)Cc2cccc(Cl)c2)CC[NH2+]C1 ZINC001246458613 804340324 /nfs/dbraw/zinc/34/03/24/804340324.db2.gz HINLOVAEMWINAB-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP CC[C@@]1([NH2+][C@H](C)Cc2ccccc2Cl)CC[NH2+]C1 ZINC001246461913 804343117 /nfs/dbraw/zinc/34/31/17/804343117.db2.gz QLMIZNDUVOBSQB-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001246499811 804362385 /nfs/dbraw/zinc/36/23/85/804362385.db2.gz GATJUFQNMFOEJZ-LSDHHAIUSA-N 2 1 272.477 3.467 20 0 CGADMP Cc1nccn1-c1ccccc1C[N@@H+](C)Cc1ccncc1 ZINC001140023785 804355296 /nfs/dbraw/zinc/35/52/96/804355296.db2.gz XOBCGZOEDAVKHF-UHFFFAOYSA-N 2 1 292.386 3.208 20 0 CGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)Cc1ccncc1 ZINC001140023785 804355311 /nfs/dbraw/zinc/35/53/11/804355311.db2.gz XOBCGZOEDAVKHF-UHFFFAOYSA-N 2 1 292.386 3.208 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)C[C@H]1C ZINC001246485004 804355235 /nfs/dbraw/zinc/35/52/35/804355235.db2.gz GHWRVIVJCWNTMX-SYQHCUMBSA-N 2 1 274.399 3.036 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC001246491023 804359493 /nfs/dbraw/zinc/35/94/93/804359493.db2.gz RMBAWYBRWUQZAH-CHWSQXEVSA-N 2 1 274.399 3.180 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246500510 804361857 /nfs/dbraw/zinc/36/18/57/804361857.db2.gz WXPXEMUAMYALBW-DDBAPUKQSA-N 2 1 272.436 3.300 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246498973 804362442 /nfs/dbraw/zinc/36/24/42/804362442.db2.gz VSCQLCDSVVSMCL-FJIDUMEYSA-N 3 1 295.515 3.137 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1c(F)cccc1Cl ZINC001246507698 804365711 /nfs/dbraw/zinc/36/57/11/804365711.db2.gz ZCMIHFIQURIZAL-NEPJUHHUSA-N 2 1 286.822 3.373 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246519585 804374201 /nfs/dbraw/zinc/37/42/01/804374201.db2.gz OIBQDSHHNXWGTQ-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246524447 804378355 /nfs/dbraw/zinc/37/83/55/804378355.db2.gz QVTZNLOCBHHWQN-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP CCCCC[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246525403 804378614 /nfs/dbraw/zinc/37/86/14/804378614.db2.gz XKIYVWUAYGYOFW-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@@H+](C1CCCCC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246530251 804381261 /nfs/dbraw/zinc/38/12/61/804381261.db2.gz KOYVOVYKTBCWOE-CVEARBPZSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246531396 804383469 /nfs/dbraw/zinc/38/34/69/804383469.db2.gz QQGBQIQIILJVAI-BRWVUGGUSA-N 2 1 258.409 3.136 20 0 CGADMP [NH3+][C@@H]1C[N@@H+]([C@H]2CCC[C@H](c3ccccc3)C2)CC12CC2 ZINC001246535140 804383975 /nfs/dbraw/zinc/38/39/75/804383975.db2.gz WFDSEDBZGRBODY-YESZJQIVSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@H]1C[N@H+]([C@H]2CCC[C@H](c3ccccc3)C2)CC12CC2 ZINC001246535140 804383983 /nfs/dbraw/zinc/38/39/83/804383983.db2.gz WFDSEDBZGRBODY-YESZJQIVSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246538595 804388378 /nfs/dbraw/zinc/38/83/78/804388378.db2.gz DBBDBCHSTUIFIB-KGLIPLIRSA-N 2 1 278.827 3.011 20 0 CGADMP C[C@H]1C[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C[C@H]1C[NH3+] ZINC001246543108 804389927 /nfs/dbraw/zinc/38/99/27/804389927.db2.gz TWOCXGASIKQGJX-DZOHQFGASA-N 2 1 272.436 3.239 20 0 CGADMP Cc1cccc2c1CC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246544951 804392257 /nfs/dbraw/zinc/39/22/57/804392257.db2.gz FEZJDMVSZWYSRL-UHFFFAOYSA-N 2 1 284.447 3.275 20 0 CGADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001246547419 804396833 /nfs/dbraw/zinc/39/68/33/804396833.db2.gz CWSUFGDHXHQMPC-WMZOPIPTSA-N 2 1 294.483 3.055 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246549001 804398605 /nfs/dbraw/zinc/39/86/05/804398605.db2.gz ORVJIOMUZHXWDO-ZFWWWQNUSA-N 2 1 258.409 3.136 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001246549892 804399856 /nfs/dbraw/zinc/39/98/56/804399856.db2.gz NSPNPVOBSUDKSB-AEFFLSMTSA-N 2 1 292.442 3.469 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246557383 804406703 /nfs/dbraw/zinc/40/67/03/804406703.db2.gz LKUVRYIUBCOYHM-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[N@H+](C2CCCCCCC2)CCC[C@H]1C[NH3+] ZINC001246559470 804408833 /nfs/dbraw/zinc/40/88/33/804408833.db2.gz AFUIYBPAJROTGA-GJZGRUSLSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CC(C)(C)C1 ZINC001246563488 804412293 /nfs/dbraw/zinc/41/22/93/804412293.db2.gz KBUXLGPORBYMBQ-QPSCCSFWSA-N 2 1 252.446 3.260 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246569720 804417115 /nfs/dbraw/zinc/41/71/15/804417115.db2.gz SGJNCLCITPCOFA-YCPHGPKFSA-N 2 1 278.415 3.064 20 0 CGADMP C[C@H]1C[N@H+](C2CCC3(CC3)CC2)CCC[C@@H]1C[NH3+] ZINC001246570175 804417697 /nfs/dbraw/zinc/41/76/97/804417697.db2.gz TZZLAKWAPJMUOK-UONOGXRCSA-N 2 1 250.430 3.016 20 0 CGADMP Nc1[nH+]cccc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001212410025 815021762 /nfs/dbraw/zinc/02/17/62/815021762.db2.gz GJUIARYYSKKICU-UHFFFAOYSA-N 2 1 296.418 3.436 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1)C2 ZINC001246571541 804418851 /nfs/dbraw/zinc/41/88/51/804418851.db2.gz WEPMTSMJGMSAMV-NXHRZFHOSA-N 2 1 286.463 3.159 20 0 CGADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@@H]4CCCC[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246572633 804419542 /nfs/dbraw/zinc/41/95/42/804419542.db2.gz OODKEMGLRLLEGQ-IYWMVGAKSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CCC[C@@H]1C[NH3+] ZINC001246571723 804419687 /nfs/dbraw/zinc/41/96/87/804419687.db2.gz WVZUDPTWNWUHFC-YIYPIFLZSA-N 2 1 292.389 3.414 20 0 CGADMP CC(C)OC1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246576657 804422816 /nfs/dbraw/zinc/42/28/16/804422816.db2.gz MFSINQVZEFWVOR-JCYILVPMSA-N 2 1 282.472 3.174 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246580332 804426069 /nfs/dbraw/zinc/42/60/69/804426069.db2.gz DBAFZXHOBMZLOT-RRFJBIMHSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246580332 804426073 /nfs/dbraw/zinc/42/60/73/804426073.db2.gz DBAFZXHOBMZLOT-RRFJBIMHSA-N 2 1 258.425 3.497 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@](C)(C[NH3+])CC1)CC2 ZINC001246582750 804426245 /nfs/dbraw/zinc/42/62/45/804426245.db2.gz SWHUSIPSMLCPTA-RBUKOAKNSA-N 2 1 286.463 3.303 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246583859 804427843 /nfs/dbraw/zinc/42/78/43/804427843.db2.gz SFZXFULSYJYJHU-ZFWWWQNUSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C[C@H]1C ZINC001246588680 804430921 /nfs/dbraw/zinc/43/09/21/804430921.db2.gz CAWKGXWKOZLUDI-WCVJEAGWSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)[N@@H+]([C@H]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]CC1 ZINC001246590621 804434232 /nfs/dbraw/zinc/43/42/32/804434232.db2.gz HJHRJGDMFRTWPB-PMPSAXMXSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246593381 804435086 /nfs/dbraw/zinc/43/50/86/804435086.db2.gz MQNMDYDODSFEPZ-XMTFNYHQSA-N 3 1 295.515 3.148 20 0 CGADMP CC[C@@H]1C[C@@H](N(C(C)C)[C@@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246593381 804435091 /nfs/dbraw/zinc/43/50/91/804435091.db2.gz MQNMDYDODSFEPZ-XMTFNYHQSA-N 2 1 295.515 3.148 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246606280 804441400 /nfs/dbraw/zinc/44/14/00/804441400.db2.gz DMKTXCMSSXKBJM-HZSPNIEDSA-N 2 1 290.373 3.326 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246606280 804441402 /nfs/dbraw/zinc/44/14/02/804441402.db2.gz DMKTXCMSSXKBJM-HZSPNIEDSA-N 2 1 290.373 3.326 20 0 CGADMP CC1CCC([N@H+]2CCC[C@]23CCC[NH2+]CC3)CC1 ZINC001246606121 804441740 /nfs/dbraw/zinc/44/17/40/804441740.db2.gz MHCYRXXCDHRVMD-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)C1 ZINC001246610466 804445033 /nfs/dbraw/zinc/44/50/33/804445033.db2.gz AFWFFYJNWXNJMS-BZUAXINKSA-N 2 1 250.430 3.173 20 0 CGADMP CCOCC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246610358 804445621 /nfs/dbraw/zinc/44/56/21/804445621.db2.gz QSGFMUKQHAGYLA-IRXDYDNUSA-N 2 1 282.472 3.047 20 0 CGADMP C[C@H]1CCC[C@@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C1 ZINC001246614376 804448779 /nfs/dbraw/zinc/44/87/79/804448779.db2.gz SKDPMNBWEDPPKA-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246614193 804449105 /nfs/dbraw/zinc/44/91/05/804449105.db2.gz MSPABQDVNXYAAC-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)C2 ZINC001246615574 804450044 /nfs/dbraw/zinc/45/00/44/804450044.db2.gz XAYNJECFHXNHBR-UYAOXDASSA-N 2 1 298.474 3.318 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615870 804450562 /nfs/dbraw/zinc/45/05/62/804450562.db2.gz TZMPCCJILDJBRY-IKGGRYGDSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615870 804450566 /nfs/dbraw/zinc/45/05/66/804450566.db2.gz TZMPCCJILDJBRY-IKGGRYGDSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H](CC(C)C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615837 804450622 /nfs/dbraw/zinc/45/06/22/804450622.db2.gz SVSOUWSDOQBTAT-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001246617291 804451217 /nfs/dbraw/zinc/45/12/17/804451217.db2.gz IMLWPCQOJNQNDA-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)C1 ZINC001246619939 804454293 /nfs/dbraw/zinc/45/42/93/804454293.db2.gz PJZYLXXCAGBUOC-LSOMNZGLSA-N 2 1 284.447 3.382 20 0 CGADMP C[C@@H]1CC([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)C1 ZINC001246619939 804454296 /nfs/dbraw/zinc/45/42/96/804454296.db2.gz PJZYLXXCAGBUOC-LSOMNZGLSA-N 2 1 284.447 3.382 20 0 CGADMP CCCCCC[C@@H](CCC)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246632254 804461987 /nfs/dbraw/zinc/46/19/87/804461987.db2.gz WHPBIZXYDHLQIN-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246632254 804461989 /nfs/dbraw/zinc/46/19/89/804461989.db2.gz WHPBIZXYDHLQIN-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631530 804462800 /nfs/dbraw/zinc/46/28/00/804462800.db2.gz QFCVKTKDVOHUSU-OKZBNKHCSA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246634676 804464056 /nfs/dbraw/zinc/46/40/56/804464056.db2.gz AOZUEHCJBNRLAL-BRSBDYLESA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246633162 804464206 /nfs/dbraw/zinc/46/42/06/804464206.db2.gz DXKMTZDMBUETIS-ZSYWTGECSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246633162 804464208 /nfs/dbraw/zinc/46/42/08/804464208.db2.gz DXKMTZDMBUETIS-ZSYWTGECSA-N 2 1 284.447 3.397 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246635985 804466175 /nfs/dbraw/zinc/46/61/75/804466175.db2.gz JUIAMRIPZPUSAR-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246635985 804466180 /nfs/dbraw/zinc/46/61/80/804466180.db2.gz JUIAMRIPZPUSAR-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP CCC1CCC([N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246640705 804467122 /nfs/dbraw/zinc/46/71/22/804467122.db2.gz BVZRXQBBJIEMMB-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246642841 804469910 /nfs/dbraw/zinc/46/99/10/804469910.db2.gz KWDLIQSSCUYVGT-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2CC[C@H]3C[NH2+][C@H]3C2)CC1 ZINC001246645451 804472392 /nfs/dbraw/zinc/47/23/92/804472392.db2.gz BBGMEYBYTHSTMN-LBDPXKHJSA-N 2 1 264.457 3.275 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@H]3C[NH2+][C@H]3C2)CC1 ZINC001246645451 804472396 /nfs/dbraw/zinc/47/23/96/804472396.db2.gz BBGMEYBYTHSTMN-LBDPXKHJSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@]13CC[NH2+]C3)CC2 ZINC001246645863 804473512 /nfs/dbraw/zinc/47/35/12/804473512.db2.gz WYLUFDXFNGXLPI-OALUTQOASA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@]13CC[NH2+]C3)CC2 ZINC001246645863 804473515 /nfs/dbraw/zinc/47/35/15/804473515.db2.gz WYLUFDXFNGXLPI-OALUTQOASA-N 2 1 284.447 3.070 20 0 CGADMP C1[NH2+][C@H]2C[N@@H+](C3CCC4(CCCCC4)CC3)CC[C@@H]12 ZINC001246648417 804475915 /nfs/dbraw/zinc/47/59/15/804475915.db2.gz PMXGVGFIFSYLMM-HOCLYGCPSA-N 2 1 262.441 3.173 20 0 CGADMP C1[NH2+][C@H]2C[N@H+](C3CCC4(CCCCC4)CC3)CC[C@@H]12 ZINC001246648417 804475918 /nfs/dbraw/zinc/47/59/18/804475918.db2.gz PMXGVGFIFSYLMM-HOCLYGCPSA-N 2 1 262.441 3.173 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246649439 804477158 /nfs/dbraw/zinc/47/71/58/804477158.db2.gz PJWCOONLPDCPLG-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001246649439 804477160 /nfs/dbraw/zinc/47/71/60/804477160.db2.gz PJWCOONLPDCPLG-FUHWJXTLSA-N 2 1 272.436 3.144 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001246649348 804477545 /nfs/dbraw/zinc/47/75/45/804477545.db2.gz OZIQFXOTTPMLIN-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653375 804479290 /nfs/dbraw/zinc/47/92/90/804479290.db2.gz SOPAJNQAATVOFV-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656165 804480948 /nfs/dbraw/zinc/48/09/48/804480948.db2.gz MPOQDXQVBHMSSM-RFGFWPKPSA-N 2 1 292.389 3.285 20 0 CGADMP C1C[C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C[C@@H]2C1 ZINC001246657244 804482323 /nfs/dbraw/zinc/48/23/23/804482323.db2.gz PQAXDDWLBVLQON-OWCLPIDISA-N 2 1 262.441 3.031 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4ccncc43)C2)CC1 ZINC001140644735 804483227 /nfs/dbraw/zinc/48/32/27/804483227.db2.gz ZOOOAQLWEAERBP-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001246663462 804485001 /nfs/dbraw/zinc/48/50/01/804485001.db2.gz VCMBTSBYVRPQSI-UXLLHSPISA-N 2 1 290.476 3.159 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246663507 804487123 /nfs/dbraw/zinc/48/71/23/804487123.db2.gz VNWDSXGNALUEMP-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246670946 804489571 /nfs/dbraw/zinc/48/95/71/804489571.db2.gz GMXSIZQLFXYLQA-LMPOIIKSSA-N 2 1 264.457 3.275 20 0 CGADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)CC3)cc1 ZINC001246672613 804489747 /nfs/dbraw/zinc/48/97/47/804489747.db2.gz MKPWZIOCLDGOIM-IEBWSBKVSA-N 2 1 284.447 3.182 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001246677928 804492512 /nfs/dbraw/zinc/49/25/12/804492512.db2.gz KZVLXYYXBWHNBC-HUUCEWRRSA-N 2 1 290.476 3.017 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246683088 804495385 /nfs/dbraw/zinc/49/53/85/804495385.db2.gz ZBPPQPSHBHOJQC-GFCCVEGCSA-N 2 1 298.833 3.342 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246690939 804498013 /nfs/dbraw/zinc/49/80/13/804498013.db2.gz OKCHEFRSBLWXJG-CLLJXQQHSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246767227 804500509 /nfs/dbraw/zinc/50/05/09/804500509.db2.gz ASZVZHDGBARANK-OAHLLOKOSA-N 2 1 278.827 3.447 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CC[NH2+]1 ZINC001246728453 804501109 /nfs/dbraw/zinc/50/11/09/804501109.db2.gz KBULCGMIWWBDCN-BDXSIMOUSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246769065 804503539 /nfs/dbraw/zinc/50/35/39/804503539.db2.gz HUQPKJPTLLPZGK-INIZCTEOSA-N 2 1 290.476 3.136 20 0 CGADMP CCCC[N@@H+](CCC)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246773388 804504166 /nfs/dbraw/zinc/50/41/66/804504166.db2.gz CAUJOPVGZGNXDB-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246778344 804506075 /nfs/dbraw/zinc/50/60/75/804506075.db2.gz ULSVZWNJBXBLJK-MSOLQXFVSA-N 2 1 274.452 3.459 20 0 CGADMP CC[C@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC001246777686 804506236 /nfs/dbraw/zinc/50/62/36/804506236.db2.gz RYHPUKVHQYDNTD-IRXDYDNUSA-N 2 1 260.425 3.082 20 0 CGADMP CCCC[N@@H+](CCC)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246779330 804507031 /nfs/dbraw/zinc/50/70/31/804507031.db2.gz RWEWFIPIAKHVCO-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779679 804508556 /nfs/dbraw/zinc/50/85/56/804508556.db2.gz SWXKUPJMZYJPMQ-RCCFBDPRSA-N 2 1 272.436 3.397 20 0 CGADMP CC(C)[N@@H+](CC1CC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246787891 804511091 /nfs/dbraw/zinc/51/10/91/804511091.db2.gz FNIRZAKUCQBOEP-CABCVRRESA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246790536 804512767 /nfs/dbraw/zinc/51/27/67/804512767.db2.gz HETPDDACUSGLRL-SFHVURJKSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246791843 804515119 /nfs/dbraw/zinc/51/51/19/804515119.db2.gz MUFXNWDEBBQAQG-CYGHRXIMSA-N 2 1 272.436 3.080 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+](C)CCC1CC[NH2+]CC1)C2 ZINC001246793688 804517340 /nfs/dbraw/zinc/51/73/40/804517340.db2.gz CUAOWDCYZKZAAC-GOSISDBHSA-N 2 1 286.463 3.174 20 0 CGADMP C[NH2+]Cc1ccc(N[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256919475 807012177 /nfs/dbraw/zinc/01/21/77/807012177.db2.gz WXNLUROOBGNKEP-KRWDZBQOSA-N 2 1 287.451 3.225 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@@H]2c2cccc(F)c2)C[C@@H](C)[NH2+]1 ZINC001246793976 804518229 /nfs/dbraw/zinc/51/82/29/804518229.db2.gz FOOZDMWDIHPQQO-PBFPGSCMSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H]1CC([N@@H+](C)Cc2ccc(Cl)cc2)C[C@H](C)[NH2+]1 ZINC001246798844 804518967 /nfs/dbraw/zinc/51/89/67/804518967.db2.gz SRPDUSCIUAWUHM-RYUDHWBXSA-N 2 1 266.816 3.301 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C[C@H](C)[NH2+]1 ZINC001246801248 804521349 /nfs/dbraw/zinc/52/13/49/804521349.db2.gz GJBQCQHAZCOYJH-XGUBFFRZSA-N 2 1 276.399 3.144 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001140807297 804522665 /nfs/dbraw/zinc/52/26/65/804522665.db2.gz UHTWPDDDMYEMJV-WBMJQRKESA-N 2 1 255.365 3.327 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001140807297 804522668 /nfs/dbraw/zinc/52/26/68/804522668.db2.gz UHTWPDDDMYEMJV-WBMJQRKESA-N 2 1 255.365 3.327 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246812550 804528310 /nfs/dbraw/zinc/52/83/10/804528310.db2.gz DQAYOYVZIMJLOQ-SFHVURJKSA-N 2 1 286.463 3.392 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001246812297 804528595 /nfs/dbraw/zinc/52/85/95/804528595.db2.gz YNSNFTCHUOTVCV-OLZOCXBDSA-N 2 1 266.816 3.127 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246814443 804529798 /nfs/dbraw/zinc/52/97/98/804529798.db2.gz PEQVHCJHVTUKHS-RTBURBONSA-N 2 1 286.463 3.392 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246814712 804530084 /nfs/dbraw/zinc/53/00/84/804530084.db2.gz RIZPLVFYRXJOGJ-MSOLQXFVSA-N 2 1 274.452 3.185 20 0 CGADMP Cc1cccc(CC[N@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246814438 804530687 /nfs/dbraw/zinc/53/06/87/804530687.db2.gz PEQVHCJHVTUKHS-MOPGFXCFSA-N 2 1 286.463 3.392 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCCc3ccccc3C2)CC[NH2+]1 ZINC001246815454 804532004 /nfs/dbraw/zinc/53/20/04/804532004.db2.gz CVTLFUZEWJMFQK-ZWKOTPCHSA-N 2 1 272.436 3.211 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246816894 804532395 /nfs/dbraw/zinc/53/23/95/804532395.db2.gz MMUWYAPPRZUCMT-FVQHAEBGSA-N 2 1 276.399 3.451 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246816894 804532397 /nfs/dbraw/zinc/53/23/97/804532397.db2.gz MMUWYAPPRZUCMT-FVQHAEBGSA-N 2 1 276.399 3.451 20 0 CGADMP CC1(C)[C@@H]2C[N@@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C[C@@H]21 ZINC001246818916 804533155 /nfs/dbraw/zinc/53/31/55/804533155.db2.gz GBLSHXQRILCPTR-SOUVJXGZSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@H]1CC([N@@H+](C)CCc2cccc(Cl)c2)C[C@H](C)[NH2+]1 ZINC001246823324 804537692 /nfs/dbraw/zinc/53/76/92/804537692.db2.gz NRSBVLLGCXTKBX-STQMWFEESA-N 2 1 280.843 3.343 20 0 CGADMP Fc1ccc2c(c1)C[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246827641 804538350 /nfs/dbraw/zinc/53/83/50/804538350.db2.gz QCJMVGFNBQNAFD-QZTJIDSGSA-N 2 1 288.410 3.106 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC001246827208 804538827 /nfs/dbraw/zinc/53/88/27/804538827.db2.gz ZURKITPQHGIAKU-GYTBAZASSA-N 2 1 250.430 3.172 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC3CCC2CC3)CC[NH2+]1 ZINC001246827208 804538833 /nfs/dbraw/zinc/53/88/33/804538833.db2.gz ZURKITPQHGIAKU-GYTBAZASSA-N 2 1 250.430 3.172 20 0 CGADMP Fc1ccc(CC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246827941 804538965 /nfs/dbraw/zinc/53/89/65/804538965.db2.gz OWOQOHBJLYKINV-GOSISDBHSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246832680 804541067 /nfs/dbraw/zinc/54/10/67/804541067.db2.gz KLSIBOWZSZPCBF-JSGCOSHPSA-N 2 1 282.428 3.120 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246838305 804545688 /nfs/dbraw/zinc/54/56/88/804545688.db2.gz GVGRHXUBEJAAQH-KRWDZBQOSA-N 2 1 284.488 3.292 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246838157 804546384 /nfs/dbraw/zinc/54/63/84/804546384.db2.gz BKAPFKXVPCRCNV-CQSZACIVSA-N 2 1 296.867 3.009 20 0 CGADMP CCC(CC)[N@@H+](CC)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246839963 804548136 /nfs/dbraw/zinc/54/81/36/804548136.db2.gz MFBDMCZBUSDMCN-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246839398 804548746 /nfs/dbraw/zinc/54/87/46/804548746.db2.gz AVTVLTYZJISRAM-QRQLOZEOSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CC[NH2+]1 ZINC001246844438 804552689 /nfs/dbraw/zinc/55/26/89/804552689.db2.gz JGNYNFUCAGHIRH-NJAFHUGGSA-N 2 1 272.436 3.397 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001246845803 804553556 /nfs/dbraw/zinc/55/35/56/804553556.db2.gz LZOFKRZPFDVTOB-XHSDSOJGSA-N 2 1 290.476 3.017 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246847334 804555414 /nfs/dbraw/zinc/55/54/14/804555414.db2.gz TTZUCTXSVADMDL-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246847227 804555860 /nfs/dbraw/zinc/55/58/60/804555860.db2.gz RGWJRJGBAJYZEU-CAOSSQGBSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](Cc1ccccc1F)C1CCC2(C[NH2+]C2)CC1 ZINC001246846799 804555883 /nfs/dbraw/zinc/55/58/83/804555883.db2.gz QEUFLCUQOUZNHB-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP CC[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246848222 804557478 /nfs/dbraw/zinc/55/74/78/804557478.db2.gz MYGYYSYUBQWROJ-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001246850616 804559780 /nfs/dbraw/zinc/55/97/80/804559780.db2.gz JUVFVVRAVQWDRZ-BXUZGUMPSA-N 2 1 286.341 3.278 20 0 CGADMP C1C[C@H](C2CCCCC2)[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246865816 804568841 /nfs/dbraw/zinc/56/88/41/804568841.db2.gz SKEZGZZUJREVBI-LTIDMASMSA-N 2 1 262.441 3.029 20 0 CGADMP C[N@@H+](Cc1ncco1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141010658 804569751 /nfs/dbraw/zinc/56/97/51/804569751.db2.gz BTSZLBKZRHWFJZ-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP C[N@H+](Cc1ncco1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141010658 804569755 /nfs/dbraw/zinc/56/97/55/804569755.db2.gz BTSZLBKZRHWFJZ-UHFFFAOYSA-N 2 1 299.418 3.019 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246869905 804571979 /nfs/dbraw/zinc/57/19/79/804571979.db2.gz XHBUVVHJWNJUBC-YSVLISHTSA-N 2 1 258.409 3.136 20 0 CGADMP CC[C@H]1CC([NH+]2CC3CCC(CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246882331 804578032 /nfs/dbraw/zinc/57/80/32/804578032.db2.gz MTSMWKWONXSQHT-CKUJCDMFSA-N 2 1 264.457 3.418 20 0 CGADMP Fc1ccc2c(c1)CC[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246883586 804579417 /nfs/dbraw/zinc/57/94/17/804579417.db2.gz XBKCAPYKKWIAQP-MSOLQXFVSA-N 2 1 288.410 3.106 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+](C)CCCC[NH3+] ZINC001246894137 804585039 /nfs/dbraw/zinc/58/50/39/804585039.db2.gz RWBYJJKHLYZQJZ-QGZVFWFLSA-N 2 1 262.441 3.459 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246899989 804586348 /nfs/dbraw/zinc/58/63/48/804586348.db2.gz HAFYTAWETKMRAK-GLJUWKHASA-N 2 1 283.419 3.445 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246899989 804586350 /nfs/dbraw/zinc/58/63/50/804586350.db2.gz HAFYTAWETKMRAK-GLJUWKHASA-N 2 1 283.419 3.445 20 0 CGADMP C[N@@H+]([C@H]1CCc2cccc(Cl)c2C1)C1(C)CC[NH2+]CC1 ZINC001246914055 804596669 /nfs/dbraw/zinc/59/66/69/804596669.db2.gz YNGJIFPDAPPVRQ-AWEZNQCLSA-N 2 1 292.854 3.271 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CCc1ccc(C)cc1 ZINC001246935287 804607065 /nfs/dbraw/zinc/60/70/65/804607065.db2.gz GORNAETXXVZEBU-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP CC(C)OCC[C@@H](C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246936794 804608501 /nfs/dbraw/zinc/60/85/01/804608501.db2.gz KCLNVTARBJNRLR-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H](Cc1ccco1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938536 804610214 /nfs/dbraw/zinc/61/02/14/804610214.db2.gz QCWKPRLRURCSPC-HZPDHXFCSA-N 2 1 290.451 3.455 20 0 CGADMP CC[C@@H](C)[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001246943246 804612017 /nfs/dbraw/zinc/61/20/17/804612017.db2.gz PVDIBVYUEAUHMA-CQSZACIVSA-N 2 1 278.415 3.426 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+](CC)C[C@H]2CC[NH2+]C2)cc1 ZINC001246946843 804614308 /nfs/dbraw/zinc/61/43/08/804614308.db2.gz IAZUJCYSBATKLA-QAPCUYQASA-N 2 1 274.452 3.111 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946091 804614598 /nfs/dbraw/zinc/61/45/98/804614598.db2.gz FLZVGAQSWFEJOU-GCVYGYKWSA-N 2 1 299.245 3.074 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946091 804614605 /nfs/dbraw/zinc/61/46/05/804614605.db2.gz FLZVGAQSWFEJOU-GCVYGYKWSA-N 2 1 299.245 3.074 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](CC)Cc1ccccc1 ZINC001246971360 804623124 /nfs/dbraw/zinc/62/31/24/804623124.db2.gz AQZHORGBEVGRGZ-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@H](CC(C)C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246976762 804623729 /nfs/dbraw/zinc/62/37/29/804623729.db2.gz WCHARRCNPCNQFM-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1ccccc1Br ZINC001246976171 804623817 /nfs/dbraw/zinc/62/38/17/804623817.db2.gz YNHGEXMJSKDGQA-YPMHNXCESA-N 2 1 299.256 3.049 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1ccccc1Br ZINC001246976171 804623821 /nfs/dbraw/zinc/62/38/21/804623821.db2.gz YNHGEXMJSKDGQA-YPMHNXCESA-N 2 1 299.256 3.049 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246973376 804623891 /nfs/dbraw/zinc/62/38/91/804623891.db2.gz GZQPKWFGUKDYEA-YHUYYLMFSA-N 2 1 252.446 3.405 20 0 CGADMP CC[C@@H](CC(C)C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246976751 804624583 /nfs/dbraw/zinc/62/45/83/804624583.db2.gz WCHARRCNPCNQFM-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]12 ZINC001246978211 804625571 /nfs/dbraw/zinc/62/55/71/804625571.db2.gz VEYIZLATLZMTNE-FVVUREQNSA-N 2 1 284.447 3.382 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CCC=C(C)C ZINC001246978993 804626354 /nfs/dbraw/zinc/62/63/54/804626354.db2.gz YEYIDXRLSCPUBD-JKSUJKDBSA-N 2 1 252.446 3.443 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1cccc(F)c1 ZINC001246979631 804627939 /nfs/dbraw/zinc/62/79/39/804627939.db2.gz ZZQSVMLLBHJICI-ZBFHGGJFSA-N 2 1 278.415 3.078 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246990000 804630337 /nfs/dbraw/zinc/63/03/37/804630337.db2.gz SRFAWAMOCVJPNS-HLLBOEOZSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246990000 804630343 /nfs/dbraw/zinc/63/03/43/804630343.db2.gz SRFAWAMOCVJPNS-HLLBOEOZSA-N 2 1 258.409 3.272 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246998079 804633181 /nfs/dbraw/zinc/63/31/81/804633181.db2.gz ABOAZQURDPUBPJ-LTCOOKNTSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247001804 804635447 /nfs/dbraw/zinc/63/54/47/804635447.db2.gz LJDYQDOLVZHDKX-BBRMVZONSA-N 2 1 296.455 3.367 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](C)[C@H](C)c1cccc(Br)c1 ZINC001247004673 804635489 /nfs/dbraw/zinc/63/54/89/804635489.db2.gz SQGXCDGFJMFEKJ-NWDGAFQWSA-N 2 1 299.256 3.440 20 0 CGADMP CC1(C)CCC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012252 804639983 /nfs/dbraw/zinc/63/99/83/804639983.db2.gz DBMXFWXVVMODIP-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012252 804639984 /nfs/dbraw/zinc/63/99/84/804639984.db2.gz DBMXFWXVVMODIP-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cccc2)cc1 ZINC001144252644 804961679 /nfs/dbraw/zinc/96/16/79/804961679.db2.gz SAKMWCZBCUVHER-UHFFFAOYSA-N 2 1 285.435 3.251 20 0 CGADMP C[N@H+](Cc1ccc(-n2cccc2)cc1)CC1CC[NH+](C)CC1 ZINC001144246735 804962510 /nfs/dbraw/zinc/96/25/10/804962510.db2.gz HRCNSADIEOGUPT-UHFFFAOYSA-N 2 1 297.446 3.251 20 0 CGADMP C[N@H+](Cc1ccc(F)c2cc[nH]c21)CC1CC[NH+](C)CC1 ZINC001248816963 805003408 /nfs/dbraw/zinc/00/34/08/805003408.db2.gz CUIOXCGHXAVJCN-UHFFFAOYSA-N 2 1 289.398 3.081 20 0 CGADMP C[C@@H]1CC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC001257100490 807052563 /nfs/dbraw/zinc/05/25/63/807052563.db2.gz XGPVOZGFRBVRCC-NCOADZHNSA-N 2 1 294.483 3.281 20 0 CGADMP CCC[N@@H+](CC(C)C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256864497 806993517 /nfs/dbraw/zinc/99/35/17/806993517.db2.gz JPZWEWORDSEKNI-UHFFFAOYSA-N 2 1 275.440 3.418 20 0 CGADMP CC(C)[NH+]1CCC([NH2+]CC2(F)CCCCC2)CC1 ZINC001257201568 807059481 /nfs/dbraw/zinc/05/94/81/807059481.db2.gz GDMJSQRSKYHPFD-UHFFFAOYSA-N 2 1 256.409 3.121 20 0 CGADMP CCc1ccc[nH+]c1NCC1CC[NH+](C(C)C)CC1 ZINC001166604256 807062694 /nfs/dbraw/zinc/06/26/94/807062694.db2.gz WIVSIECCZZEQPE-UHFFFAOYSA-N 2 1 261.413 3.176 20 0 CGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C4CCCC4)C[C@H]3C2)c1 ZINC001257350693 807118091 /nfs/dbraw/zinc/11/80/91/807118091.db2.gz QOWQPHPCEJNLOA-ZIAGYGMSSA-N 2 1 276.449 3.054 20 0 CGADMP CC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001257439699 807157287 /nfs/dbraw/zinc/15/72/87/807157287.db2.gz KODYVPNHSBLVOU-RYQLBKOJSA-N 2 1 272.436 3.157 20 0 CGADMP CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001257439699 807157289 /nfs/dbraw/zinc/15/72/89/807157289.db2.gz KODYVPNHSBLVOU-RYQLBKOJSA-N 2 1 272.436 3.157 20 0 CGADMP CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001257439699 807157291 /nfs/dbraw/zinc/15/72/91/807157291.db2.gz KODYVPNHSBLVOU-RYQLBKOJSA-N 2 1 272.436 3.157 20 0 CGADMP CC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001257439699 807157292 /nfs/dbraw/zinc/15/72/92/807157292.db2.gz KODYVPNHSBLVOU-RYQLBKOJSA-N 2 1 272.436 3.157 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257475733 807174915 /nfs/dbraw/zinc/17/49/15/807174915.db2.gz DINVRRUKRABCSC-ZJPYXAASSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257475733 807174919 /nfs/dbraw/zinc/17/49/19/807174919.db2.gz DINVRRUKRABCSC-ZJPYXAASSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001257475733 807174924 /nfs/dbraw/zinc/17/49/24/807174924.db2.gz DINVRRUKRABCSC-ZJPYXAASSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001257475733 807174928 /nfs/dbraw/zinc/17/49/28/807174928.db2.gz DINVRRUKRABCSC-ZJPYXAASSA-N 2 1 296.499 3.244 20 0 CGADMP CCCCC[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001257504011 807183471 /nfs/dbraw/zinc/18/34/71/807183471.db2.gz HREHXXILCMSHBQ-HNNXBMFYSA-N 3 1 285.520 3.431 20 0 CGADMP CCCCC[C@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001257504755 807184682 /nfs/dbraw/zinc/18/46/82/807184682.db2.gz NOCSOVWXAIBIQH-HNNXBMFYSA-N 2 1 275.440 3.300 20 0 CGADMP CCCCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001257514347 807189324 /nfs/dbraw/zinc/18/93/24/807189324.db2.gz CUDFSPHEHVIJSZ-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP Cc1cc2cc[nH]c2c(N2C(C)(C)CC([NH3+])CC2(C)C)[nH+]1 ZINC001167624011 807217749 /nfs/dbraw/zinc/21/77/49/807217749.db2.gz HMMPTBGNKUTJIT-UHFFFAOYSA-N 2 1 286.423 3.356 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncsc2C1 ZINC001167837497 807259539 /nfs/dbraw/zinc/25/95/39/807259539.db2.gz LNODXVWEPQJDJG-CYBMUJFWSA-N 2 1 281.469 3.012 20 0 CGADMP CC(=O)c1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC001258006007 807264272 /nfs/dbraw/zinc/26/42/72/807264272.db2.gz BXPROPSOVWQOAF-UHFFFAOYSA-N 2 1 288.435 3.099 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]2C(C)C)CC1 ZINC001258016616 807267321 /nfs/dbraw/zinc/26/73/21/807267321.db2.gz AYZHUQVTOTWZNX-INIZCTEOSA-N 2 1 252.446 3.227 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258059733 807282525 /nfs/dbraw/zinc/28/25/25/807282525.db2.gz HYSOWSYMEFRNFL-YYIAUSFCSA-N 2 1 296.499 3.418 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001258061116 807283794 /nfs/dbraw/zinc/28/37/94/807283794.db2.gz FXOHZRYOPGKCQS-VGWMRTNUSA-N 2 1 254.462 3.377 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001258061116 807283792 /nfs/dbraw/zinc/28/37/92/807283792.db2.gz FXOHZRYOPGKCQS-VGWMRTNUSA-N 2 1 254.462 3.377 20 0 CGADMP Fc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167960094 807286117 /nfs/dbraw/zinc/28/61/17/807286117.db2.gz WDDRRJHADUZKSI-AYHJJNSGSA-N 2 1 288.410 3.321 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167967908 807288071 /nfs/dbraw/zinc/28/80/71/807288071.db2.gz KXRKXTOXTKKYHH-CCNLRDMRSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167967908 807288076 /nfs/dbraw/zinc/28/80/76/807288076.db2.gz KXRKXTOXTKKYHH-CCNLRDMRSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1ncccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004780 807298747 /nfs/dbraw/zinc/29/87/47/807298747.db2.gz YWZPCFAULSSMRT-DFNIBXOVSA-N 2 1 299.462 3.227 20 0 CGADMP Cc1ncccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004780 807298751 /nfs/dbraw/zinc/29/87/51/807298751.db2.gz YWZPCFAULSSMRT-DFNIBXOVSA-N 2 1 299.462 3.227 20 0 CGADMP Cc1ncccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004780 807298754 /nfs/dbraw/zinc/29/87/54/807298754.db2.gz YWZPCFAULSSMRT-DFNIBXOVSA-N 2 1 299.462 3.227 20 0 CGADMP Cc1ncccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004780 807298758 /nfs/dbraw/zinc/29/87/58/807298758.db2.gz YWZPCFAULSSMRT-DFNIBXOVSA-N 2 1 299.462 3.227 20 0 CGADMP COC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009105 807300744 /nfs/dbraw/zinc/30/07/44/807300744.db2.gz YOKGPAXICFUIHF-CUSZFKRNSA-N 2 1 290.451 3.053 20 0 CGADMP CC[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258149812 807318481 /nfs/dbraw/zinc/31/84/81/807318481.db2.gz QAOGJMZZTDZION-QGZVFWFLSA-N 2 1 286.463 3.425 20 0 CGADMP CC[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258149812 807318489 /nfs/dbraw/zinc/31/84/89/807318489.db2.gz QAOGJMZZTDZION-QGZVFWFLSA-N 2 1 286.463 3.425 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(Cl)cc1 ZINC001168152512 807327974 /nfs/dbraw/zinc/32/79/74/807327974.db2.gz WKUREULTRJYMQZ-CYBMUJFWSA-N 2 1 268.832 3.330 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001258166924 807333441 /nfs/dbraw/zinc/33/34/41/807333441.db2.gz CPFLIDSTYYYLNJ-FOLVSLTJSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001258166924 807333445 /nfs/dbraw/zinc/33/34/45/807333445.db2.gz CPFLIDSTYYYLNJ-FOLVSLTJSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1cccc2c1C[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168315091 807380602 /nfs/dbraw/zinc/38/06/02/807380602.db2.gz RJULMVZKIZDBFY-UHFFFAOYSA-N 2 1 258.409 3.183 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001168322897 807383183 /nfs/dbraw/zinc/38/31/83/807383183.db2.gz IIYWSCLGYROJPD-OFLPRAFFSA-N 2 1 273.424 3.091 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001168324185 807384054 /nfs/dbraw/zinc/38/40/54/807384054.db2.gz JCVXVQFBABRFCK-LBDPXKHJSA-N 2 1 250.430 3.124 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001168327894 807384854 /nfs/dbraw/zinc/38/48/54/807384854.db2.gz SJLUASXQXQEXON-ZLPCBKJTSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168358942 807392237 /nfs/dbraw/zinc/39/22/37/807392237.db2.gz ZEYGTZOUADNJEA-LJQANCHMSA-N 2 1 299.462 3.305 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168389781 807401133 /nfs/dbraw/zinc/40/11/33/807401133.db2.gz WBTHFESQKHIELM-UHFFFAOYSA-N 2 1 290.426 3.174 20 0 CGADMP CC[N@@H+](Cc1cccs1)C1CC[NH+](CC2CC2)CC1 ZINC001168389642 807401605 /nfs/dbraw/zinc/40/16/05/807401605.db2.gz VJWMSIMGRBYWGI-UHFFFAOYSA-N 2 1 278.465 3.444 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168408805 807407168 /nfs/dbraw/zinc/40/71/68/807407168.db2.gz XUFKKEZETPAVBO-BZSNNMDCSA-N 2 1 290.426 3.145 20 0 CGADMP Cc1cc(N2C[C@@H](CC[NH3+])c3ccccc32)c2[nH+]ccn2c1 ZINC001168551178 807444654 /nfs/dbraw/zinc/44/46/54/807444654.db2.gz ZWBJDRXEIVSSCJ-CQSZACIVSA-N 2 1 292.386 3.227 20 0 CGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)CC2CC2)CC1 ZINC001258451380 807458562 /nfs/dbraw/zinc/45/85/62/807458562.db2.gz LHUNQQQFGQVKGS-CQSZACIVSA-N 2 1 273.424 3.137 20 0 CGADMP CCCC1CCC([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC1 ZINC001258533766 807488382 /nfs/dbraw/zinc/48/83/82/807488382.db2.gz GEAFLULAXVNRAG-MNAZLIDISA-N 2 1 264.457 3.229 20 0 CGADMP CCCC1CCC([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)CC1 ZINC001258533641 807488510 /nfs/dbraw/zinc/48/85/10/807488510.db2.gz DHSLYJAMOHGJQH-XGHPGWEVSA-N 2 1 264.457 3.371 20 0 CGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CCC(C)(C)C1 ZINC001258598728 807498252 /nfs/dbraw/zinc/49/82/52/807498252.db2.gz KQBOMKBNWVDQBG-AWEZNQCLSA-N 3 1 283.504 3.040 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168735755 807500044 /nfs/dbraw/zinc/50/00/44/807500044.db2.gz UFCVOKNCLFZWDS-HNNXBMFYSA-N 2 1 292.854 3.081 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC(C)(C)C1 ZINC001258703346 807558831 /nfs/dbraw/zinc/55/88/31/807558831.db2.gz HSPMTOKJDQOQGI-PNBKFKSVSA-N 2 1 264.457 3.085 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncccc1C ZINC001169090636 807571209 /nfs/dbraw/zinc/57/12/09/807571209.db2.gz JYSJKXKCPZFKLP-FZKCQIBNSA-N 2 1 273.424 3.056 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001169090636 807571213 /nfs/dbraw/zinc/57/12/13/807571213.db2.gz JYSJKXKCPZFKLP-FZKCQIBNSA-N 2 1 273.424 3.056 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095973 807573231 /nfs/dbraw/zinc/57/32/31/807573231.db2.gz TVXZAXGVTCQAOF-LLLHUVSDSA-N 2 1 258.409 3.271 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169094921 807574003 /nfs/dbraw/zinc/57/40/03/807574003.db2.gz NOVIMAGQCZCPHH-WCXIOVBPSA-N 2 1 258.409 3.353 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC001169096850 807574086 /nfs/dbraw/zinc/57/40/86/807574086.db2.gz ZCOIVJGSWRZOSC-CLLJXQQHSA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC001169096850 807574089 /nfs/dbraw/zinc/57/40/89/807574089.db2.gz ZCOIVJGSWRZOSC-CLLJXQQHSA-N 2 1 282.790 3.194 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3ccoc3c1)C2 ZINC001169108548 807578137 /nfs/dbraw/zinc/57/81/37/807578137.db2.gz BCLQFSLQCBWNBT-MUJYYYPQSA-N 2 1 270.376 3.148 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc31)C2 ZINC001169108967 807578239 /nfs/dbraw/zinc/57/82/39/807578239.db2.gz XHCRPKGGAKVGMC-IVSAIRAKSA-N 2 1 274.383 3.028 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC001258743283 807587581 /nfs/dbraw/zinc/58/75/81/807587581.db2.gz ZQNQRTGBZCOBFJ-GFCCVEGCSA-N 2 1 266.816 3.084 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148436 807593292 /nfs/dbraw/zinc/59/32/92/807593292.db2.gz YYLKPBAUZVSYKQ-FVQHAEBGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148436 807593296 /nfs/dbraw/zinc/59/32/96/807593296.db2.gz YYLKPBAUZVSYKQ-FVQHAEBGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148436 807593301 /nfs/dbraw/zinc/59/33/01/807593301.db2.gz YYLKPBAUZVSYKQ-FVQHAEBGSA-N 2 1 292.854 3.440 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001258753632 807593481 /nfs/dbraw/zinc/59/34/81/807593481.db2.gz OJNHKXSCAUDTLG-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001258753632 807593484 /nfs/dbraw/zinc/59/34/84/807593484.db2.gz OJNHKXSCAUDTLG-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001258753632 807593488 /nfs/dbraw/zinc/59/34/88/807593488.db2.gz OJNHKXSCAUDTLG-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001258753632 807593492 /nfs/dbraw/zinc/59/34/92/807593492.db2.gz OJNHKXSCAUDTLG-CWRNSKLLSA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152875 807595129 /nfs/dbraw/zinc/59/51/29/807595129.db2.gz FYZOWOOIGFVDJV-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152875 807595133 /nfs/dbraw/zinc/59/51/33/807595133.db2.gz FYZOWOOIGFVDJV-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP CC[NH+](Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152875 807595139 /nfs/dbraw/zinc/59/51/39/807595139.db2.gz FYZOWOOIGFVDJV-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001258771467 807605104 /nfs/dbraw/zinc/60/51/04/807605104.db2.gz DBJRAIIAAGUJEU-OAHLLOKOSA-N 2 1 272.436 3.480 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC001258771467 807605107 /nfs/dbraw/zinc/60/51/07/807605107.db2.gz DBJRAIIAAGUJEU-OAHLLOKOSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(F)cc(F)c1 ZINC001169240572 807613347 /nfs/dbraw/zinc/61/33/47/807613347.db2.gz AOLUIONCQVCEHT-MRXNPFEDSA-N 2 1 282.378 3.490 20 0 CGADMP CCCCC1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001169250129 807613679 /nfs/dbraw/zinc/61/36/79/807613679.db2.gz OONFBRIJMHAZEQ-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258800211 807621312 /nfs/dbraw/zinc/62/13/12/807621312.db2.gz MFMOTYWUTWRABT-LSDHHAIUSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001258825440 807640324 /nfs/dbraw/zinc/64/03/24/807640324.db2.gz CSKUGEMPKBDDNL-QAPCUYQASA-N 2 1 294.483 3.140 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258836216 807650113 /nfs/dbraw/zinc/65/01/13/807650113.db2.gz QQQWEKMCBGIEFH-KRWDZBQOSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)CC(CC(C)C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258836216 807650116 /nfs/dbraw/zinc/65/01/16/807650116.db2.gz QQQWEKMCBGIEFH-KRWDZBQOSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)CC(CC(C)C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258836216 807650120 /nfs/dbraw/zinc/65/01/20/807650120.db2.gz QQQWEKMCBGIEFH-KRWDZBQOSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001258849991 807657879 /nfs/dbraw/zinc/65/78/79/807657879.db2.gz YISKCLAVAXXIRT-KRWDZBQOSA-N 2 1 274.452 3.424 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001258849991 807657881 /nfs/dbraw/zinc/65/78/81/807657881.db2.gz YISKCLAVAXXIRT-KRWDZBQOSA-N 2 1 274.452 3.424 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001258908179 807671990 /nfs/dbraw/zinc/67/19/90/807671990.db2.gz WPGYWFAOCZJEEA-ROUUACIJSA-N 3 1 297.531 3.338 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)Cc1ccncc1 ZINC001258907868 807672003 /nfs/dbraw/zinc/67/20/03/807672003.db2.gz NOUVJICUETWMGL-INIZCTEOSA-N 2 1 277.456 3.414 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](F)CC1 ZINC001258907660 807672081 /nfs/dbraw/zinc/67/20/81/807672081.db2.gz LYSXZQMWZLZMEO-HUUCEWRRSA-N 2 1 258.425 3.321 20 0 CGADMP Cc1ccc(C)c(Nc2cccc(OCC[NH+](C)C)c2)[nH+]1 ZINC001212805257 815142743 /nfs/dbraw/zinc/14/27/43/815142743.db2.gz VELAWDYTRVVVIA-UHFFFAOYSA-N 2 1 285.391 3.382 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170091615 807756070 /nfs/dbraw/zinc/75/60/70/807756070.db2.gz UMWYDIHQJNHBEL-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170091615 807756077 /nfs/dbraw/zinc/75/60/77/807756077.db2.gz UMWYDIHQJNHBEL-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170091615 807756080 /nfs/dbraw/zinc/75/60/80/807756080.db2.gz UMWYDIHQJNHBEL-HRCADAONSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001170118192 807764366 /nfs/dbraw/zinc/76/43/66/807764366.db2.gz QBAASAZZPPEYOS-KGLIPLIRSA-N 2 1 276.399 3.264 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170895422 807926886 /nfs/dbraw/zinc/92/68/86/807926886.db2.gz DQLPFIPQPMAYHF-GJZGRUSLSA-N 2 1 292.854 3.271 20 0 CGADMP C[C@@H]([NH3+])CCNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001170890964 807927107 /nfs/dbraw/zinc/92/71/07/807927107.db2.gz QLBBTCVGIWIITL-OAHLLOKOSA-N 2 1 295.430 3.352 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171629436 808108325 /nfs/dbraw/zinc/10/83/25/808108325.db2.gz QYQBILMRWRHCKF-CYBMUJFWSA-N 2 1 252.446 3.370 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001171658199 808113707 /nfs/dbraw/zinc/11/37/07/808113707.db2.gz PNZDIQMVMHBIJQ-FUHWJXTLSA-N 2 1 274.452 3.390 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967420 808161077 /nfs/dbraw/zinc/16/10/77/808161077.db2.gz ZQHGOTUJBIHYEL-OIISXLGYSA-N 2 1 272.436 3.428 20 0 CGADMP CC1(C)C[C@H]([NH+]2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978199 808162999 /nfs/dbraw/zinc/16/29/99/808162999.db2.gz XBPDFRBWIGYPAM-QGZVFWFLSA-N 2 1 270.420 3.301 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001172100974 808171815 /nfs/dbraw/zinc/17/18/15/808171815.db2.gz VKVGVGRVWIMZPM-YIYPIFLZSA-N 2 1 264.438 3.414 20 0 CGADMP Cc1ccsc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101200 808172005 /nfs/dbraw/zinc/17/20/05/808172005.db2.gz XJDWZLKAIPHLJF-BTTYYORXSA-N 2 1 264.438 3.161 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CCCCC1)C2 ZINC001172101280 808172452 /nfs/dbraw/zinc/17/24/52/808172452.db2.gz YDARYPXFQHBWAM-MUJYYYPQSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C2 ZINC001172104328 808174042 /nfs/dbraw/zinc/17/40/42/808174042.db2.gz DXCJVWBMTPKWPL-SFFUCWETSA-N 2 1 270.420 3.147 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C2 ZINC001172104328 808174045 /nfs/dbraw/zinc/17/40/45/808174045.db2.gz DXCJVWBMTPKWPL-SFFUCWETSA-N 2 1 270.420 3.147 20 0 CGADMP Cc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102627 808174646 /nfs/dbraw/zinc/17/46/46/808174646.db2.gz NQVXCCKQOMXUJC-OSYLJGHBSA-N 2 1 276.399 3.239 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001172106462 808176025 /nfs/dbraw/zinc/17/60/25/808176025.db2.gz PAYMZQFXAWRSMI-FZKCQIBNSA-N 2 1 273.424 3.138 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001172108733 808177103 /nfs/dbraw/zinc/17/71/03/808177103.db2.gz DOHAROQQLLVYGE-VXIBKDFQSA-N 2 1 299.462 3.446 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(F)cc1F)C2 ZINC001172118541 808179669 /nfs/dbraw/zinc/17/96/69/808179669.db2.gz RLUPTXMROCCSMK-PHZGNYQRSA-N 2 1 294.389 3.112 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001172116582 808179693 /nfs/dbraw/zinc/17/96/93/808179693.db2.gz BKYZEOFQLCXMIG-MTSZKFMLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001172116582 808179699 /nfs/dbraw/zinc/17/96/99/808179699.db2.gz BKYZEOFQLCXMIG-MTSZKFMLSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001172116582 808179704 /nfs/dbraw/zinc/17/97/04/808179704.db2.gz BKYZEOFQLCXMIG-MTSZKFMLSA-N 2 1 262.441 3.124 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001172115810 808180440 /nfs/dbraw/zinc/18/04/40/808180440.db2.gz AESFLIAWESMNNY-KBXIAJHMSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001172115810 808180443 /nfs/dbraw/zinc/18/04/43/808180443.db2.gz AESFLIAWESMNNY-KBXIAJHMSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1(F)F ZINC001172115810 808180447 /nfs/dbraw/zinc/18/04/47/808180447.db2.gz AESFLIAWESMNNY-KBXIAJHMSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1(F)F ZINC001172115810 808180452 /nfs/dbraw/zinc/18/04/52/808180452.db2.gz AESFLIAWESMNNY-KBXIAJHMSA-N 2 1 286.410 3.369 20 0 CGADMP COc1ccccc1C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120889 808183001 /nfs/dbraw/zinc/18/30/01/808183001.db2.gz GXGOZDAUXXDPKB-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccccc1C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120889 808183005 /nfs/dbraw/zinc/18/30/05/808183005.db2.gz GXGOZDAUXXDPKB-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccccc1C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120889 808183007 /nfs/dbraw/zinc/18/30/07/808183007.db2.gz GXGOZDAUXXDPKB-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP C[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172119788 808183280 /nfs/dbraw/zinc/18/32/80/808183280.db2.gz HYJLUDLTDKWBGH-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172119788 808183282 /nfs/dbraw/zinc/18/32/82/808183282.db2.gz HYJLUDLTDKWBGH-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172119788 808183284 /nfs/dbraw/zinc/18/32/84/808183284.db2.gz HYJLUDLTDKWBGH-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119788 808183286 /nfs/dbraw/zinc/18/32/86/808183286.db2.gz HYJLUDLTDKWBGH-CAOSSQGBSA-N 2 1 250.430 3.124 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1nccs1)C2 ZINC001172129302 808185827 /nfs/dbraw/zinc/18/58/27/808185827.db2.gz YCAKJTWIODEVAS-YJNKXOJESA-N 2 1 291.464 3.295 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1nccs1)C2 ZINC001172129302 808185832 /nfs/dbraw/zinc/18/58/32/808185832.db2.gz YCAKJTWIODEVAS-YJNKXOJESA-N 2 1 291.464 3.295 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1nccs1)C2 ZINC001172129302 808185834 /nfs/dbraw/zinc/18/58/34/808185834.db2.gz YCAKJTWIODEVAS-YJNKXOJESA-N 2 1 291.464 3.295 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1nccs1)C2 ZINC001172129302 808185838 /nfs/dbraw/zinc/18/58/38/808185838.db2.gz YCAKJTWIODEVAS-YJNKXOJESA-N 2 1 291.464 3.295 20 0 CGADMP CC1(C)C[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172282401 808213379 /nfs/dbraw/zinc/21/33/79/808213379.db2.gz UASFEJITVDGARC-BRWVUGGUSA-N 2 1 294.483 3.316 20 0 CGADMP CC(C)(C)C[N@@H+]([C@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172281437 808213397 /nfs/dbraw/zinc/21/33/97/808213397.db2.gz UFJRSGRDFQAAGM-RBSFLKMASA-N 2 1 282.472 3.172 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172333285 808238206 /nfs/dbraw/zinc/23/82/06/808238206.db2.gz FPJVPLJKRYZVDA-BZUAXINKSA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172333285 808238209 /nfs/dbraw/zinc/23/82/09/808238209.db2.gz FPJVPLJKRYZVDA-BZUAXINKSA-N 2 1 282.472 3.187 20 0 CGADMP CCOCC[C@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172415446 808300812 /nfs/dbraw/zinc/30/08/12/808300812.db2.gz ZMRSEUCXBZUSIL-JYJNAYRXSA-N 2 1 284.488 3.420 20 0 CGADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172532042 808369477 /nfs/dbraw/zinc/36/94/77/808369477.db2.gz CTVIYPOEZSZNAJ-HZPDHXFCSA-N 2 1 269.392 3.283 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001172517183 808369827 /nfs/dbraw/zinc/36/98/27/808369827.db2.gz PNXYBVKYKZKAEJ-HZPDHXFCSA-N 2 1 270.461 3.175 20 0 CGADMP CCCCCC[C@@H](CCCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172517183 808369835 /nfs/dbraw/zinc/36/98/35/808369835.db2.gz PNXYBVKYKZKAEJ-HZPDHXFCSA-N 2 1 270.461 3.175 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172643729 808405881 /nfs/dbraw/zinc/40/58/81/808405881.db2.gz ALNNLLDUWANQSE-AWEZNQCLSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172724516 808420997 /nfs/dbraw/zinc/42/09/97/808420997.db2.gz NNMPUGQYXUFZKX-QGZVFWFLSA-N 2 1 294.870 3.471 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172825840 808446829 /nfs/dbraw/zinc/44/68/29/808446829.db2.gz KCPVOHBKXCCECZ-OKYOBFRVSA-N 2 1 284.447 3.067 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+](C)C1CCC([NH3+])CC1)CC2 ZINC001172833963 808450935 /nfs/dbraw/zinc/45/09/35/808450935.db2.gz DEDXPVKICDOVHJ-DAWZGUTISA-N 2 1 272.436 3.054 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1c(F)cccc1Cl ZINC001172840533 808455290 /nfs/dbraw/zinc/45/52/90/808455290.db2.gz DORDBUJIKNVLAN-JTQLQIEISA-N 2 1 295.789 3.289 20 0 CGADMP CO[C@H]1CCC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172929931 808485738 /nfs/dbraw/zinc/48/57/38/808485738.db2.gz PFEYIHVSARXOAU-DDBAPUKQSA-N 2 1 294.483 3.459 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC001173108596 808511751 /nfs/dbraw/zinc/51/17/51/808511751.db2.gz OQZYSMFMAKJONG-CPFNUKBASA-N 2 1 294.483 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+]2CCCC(F)(F)C2)CC1 ZINC001173108887 808512164 /nfs/dbraw/zinc/51/21/64/808512164.db2.gz SSPBUFUTFZJAPN-UHFFFAOYSA-N 2 1 274.399 3.371 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC(F)(F)C2)CC1 ZINC001173108887 808512167 /nfs/dbraw/zinc/51/21/67/808512167.db2.gz SSPBUFUTFZJAPN-UHFFFAOYSA-N 2 1 274.399 3.371 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001173113656 808513590 /nfs/dbraw/zinc/51/35/90/808513590.db2.gz ZMQUTEDMTDNZST-WVTZPBJPSA-N 2 1 268.420 3.072 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC001173114294 808513736 /nfs/dbraw/zinc/51/37/36/808513736.db2.gz FGGVVQWVPRLDBU-JCYILVPMSA-N 2 1 282.472 3.140 20 0 CGADMP CCCO[C@@H]1CC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173112096 808513789 /nfs/dbraw/zinc/51/37/89/808513789.db2.gz QDWUFEXBYACWEC-OFLPRAFFSA-N 2 1 282.472 3.140 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001173236402 808546581 /nfs/dbraw/zinc/54/65/81/808546581.db2.gz WDGOVSYPXGCQPW-QAPCUYQASA-N 2 1 274.452 3.254 20 0 CGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](CC)C2)C1 ZINC001173275798 808578872 /nfs/dbraw/zinc/57/88/72/808578872.db2.gz UFSAFHHPAYGRAH-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](CC)C2)C1 ZINC001173275798 808578880 /nfs/dbraw/zinc/57/88/80/808578880.db2.gz UFSAFHHPAYGRAH-KFWWJZLASA-N 2 1 252.446 3.418 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001173302244 808600330 /nfs/dbraw/zinc/60/03/30/808600330.db2.gz PZFGRVMVLBBQJD-OAHLLOKOSA-N 2 1 296.524 3.468 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001173302244 808600344 /nfs/dbraw/zinc/60/03/44/808600344.db2.gz PZFGRVMVLBBQJD-OAHLLOKOSA-N 2 1 296.524 3.468 20 0 CGADMP CCSC[C@H](C)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001173312247 808606193 /nfs/dbraw/zinc/60/61/93/808606193.db2.gz RYJVZFWVWYNQGZ-ZDUSSCGKSA-N 2 1 288.476 3.026 20 0 CGADMP Cc1c(F)cc(F)cc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001275009977 808898026 /nfs/dbraw/zinc/89/80/26/808898026.db2.gz KDPWYKYFTWHKDB-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP CC(C)(C)C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275050817 808900144 /nfs/dbraw/zinc/90/01/44/808900144.db2.gz KJITVVXRIZSRNU-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)(C)C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275050817 808900152 /nfs/dbraw/zinc/90/01/52/808900152.db2.gz KJITVVXRIZSRNU-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH+](C)C[C@H]2CC1 ZINC001275046247 808900585 /nfs/dbraw/zinc/90/05/85/808900585.db2.gz ZXEUWRADSBQQRR-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@@H+](C)C[C@H]2CC1 ZINC001275046247 808900593 /nfs/dbraw/zinc/90/05/93/808900593.db2.gz ZXEUWRADSBQQRR-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@H+](C)C[C@H]2CC1 ZINC001275046247 808900597 /nfs/dbraw/zinc/90/05/97/808900597.db2.gz ZXEUWRADSBQQRR-ZACQAIPSSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[C@H](C)C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001275072077 808904747 /nfs/dbraw/zinc/90/47/47/808904747.db2.gz DVTQOXNOZNLVQF-KSZLIROESA-N 2 1 295.515 3.009 20 0 CGADMP CCCC[N@H+]1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001275117771 808912627 /nfs/dbraw/zinc/91/26/27/808912627.db2.gz MJLYNTINEUVRLV-KRWDZBQOSA-N 2 1 275.440 3.103 20 0 CGADMP CCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275117771 808912635 /nfs/dbraw/zinc/91/26/35/808912635.db2.gz MJLYNTINEUVRLV-KRWDZBQOSA-N 2 1 275.440 3.103 20 0 CGADMP CCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275117771 808912642 /nfs/dbraw/zinc/91/26/42/808912642.db2.gz MJLYNTINEUVRLV-KRWDZBQOSA-N 2 1 275.440 3.103 20 0 CGADMP CCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275117771 808912650 /nfs/dbraw/zinc/91/26/50/808912650.db2.gz MJLYNTINEUVRLV-KRWDZBQOSA-N 2 1 275.440 3.103 20 0 CGADMP CCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275117771 808912658 /nfs/dbraw/zinc/91/26/58/808912658.db2.gz MJLYNTINEUVRLV-KRWDZBQOSA-N 2 1 275.440 3.103 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001275151502 808917645 /nfs/dbraw/zinc/91/76/45/808917645.db2.gz HLLAISVEJNBFSS-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001275198729 808920872 /nfs/dbraw/zinc/92/08/72/808920872.db2.gz CPMHZALZBYOWDM-FQEVSTJZSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001275198729 808920877 /nfs/dbraw/zinc/92/08/77/808920877.db2.gz CPMHZALZBYOWDM-FQEVSTJZSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001275198729 808920886 /nfs/dbraw/zinc/92/08/86/808920886.db2.gz CPMHZALZBYOWDM-FQEVSTJZSA-N 2 1 298.474 3.483 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001275245579 808922633 /nfs/dbraw/zinc/92/26/33/808922633.db2.gz MWHSUMGCHALJGT-UHFFFAOYSA-N 2 1 276.399 3.134 20 0 CGADMP CCc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001275916000 808975457 /nfs/dbraw/zinc/97/54/57/808975457.db2.gz GTNWHDDRFZEFRS-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(Cl)c1 ZINC001276125372 808989793 /nfs/dbraw/zinc/98/97/93/808989793.db2.gz GYRVDYUQHZTQSI-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(Cl)c1 ZINC001276125372 808989798 /nfs/dbraw/zinc/98/97/98/808989798.db2.gz GYRVDYUQHZTQSI-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(Cl)c1 ZINC001276125372 808989801 /nfs/dbraw/zinc/98/98/01/808989801.db2.gz GYRVDYUQHZTQSI-GASCZTMLSA-N 2 1 292.854 3.422 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001276232170 808994346 /nfs/dbraw/zinc/99/43/46/808994346.db2.gz CCLQYZNDRIGZOL-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001276232170 808994348 /nfs/dbraw/zinc/99/43/48/808994348.db2.gz CCLQYZNDRIGZOL-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001276232170 808994351 /nfs/dbraw/zinc/99/43/51/808994351.db2.gz CCLQYZNDRIGZOL-IBGZPJMESA-N 2 1 297.446 3.476 20 0 CGADMP Cc1ccc2c(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)c[nH]c2c1 ZINC001276754662 809028565 /nfs/dbraw/zinc/02/85/65/809028565.db2.gz XLZDRZUBEICKHX-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)c[nH]c2c1 ZINC001276754662 809028570 /nfs/dbraw/zinc/02/85/70/809028570.db2.gz XLZDRZUBEICKHX-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1ccc2c(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)c[nH]c2c1 ZINC001276754662 809028577 /nfs/dbraw/zinc/02/85/77/809028577.db2.gz XLZDRZUBEICKHX-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)cc2ccccc21 ZINC001276818250 809033387 /nfs/dbraw/zinc/03/33/87/809033387.db2.gz VMGXRBBCKUHICP-ALOPSCKCSA-N 2 1 296.414 3.260 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276830847 809034562 /nfs/dbraw/zinc/03/45/62/809034562.db2.gz VWYYJRCHBUPXJA-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cn1 ZINC001276830847 809034568 /nfs/dbraw/zinc/03/45/68/809034568.db2.gz VWYYJRCHBUPXJA-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276830847 809034571 /nfs/dbraw/zinc/03/45/71/809034571.db2.gz VWYYJRCHBUPXJA-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276830847 809034578 /nfs/dbraw/zinc/03/45/78/809034578.db2.gz VWYYJRCHBUPXJA-SFHVURJKSA-N 2 1 287.451 3.006 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3cccnc3c1)C2 ZINC001276833068 809034623 /nfs/dbraw/zinc/03/46/23/809034623.db2.gz HJFJISRWDWXBBX-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3cccnc3c1)C2 ZINC001276833068 809034625 /nfs/dbraw/zinc/03/46/25/809034625.db2.gz HJFJISRWDWXBBX-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3cccnc3c1)C2 ZINC001276833068 809034630 /nfs/dbraw/zinc/03/46/30/809034630.db2.gz HJFJISRWDWXBBX-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3cccnc3c1)C2 ZINC001276833068 809034637 /nfs/dbraw/zinc/03/46/37/809034637.db2.gz HJFJISRWDWXBBX-IBGZPJMESA-N 2 1 295.430 3.153 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc21 ZINC001276846755 809038253 /nfs/dbraw/zinc/03/82/53/809038253.db2.gz WDRSKRNHBUFBEK-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2ccc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc21 ZINC001276846755 809038259 /nfs/dbraw/zinc/03/82/59/809038259.db2.gz WDRSKRNHBUFBEK-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP Cn1ccc2ccc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc21 ZINC001276846755 809038266 /nfs/dbraw/zinc/03/82/66/809038266.db2.gz WDRSKRNHBUFBEK-LJQANCHMSA-N 2 1 297.446 3.096 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2nc(C)ccc12 ZINC001278173709 809118177 /nfs/dbraw/zinc/11/81/77/809118177.db2.gz RKKITWFCTLFQQX-ALOPSCKCSA-N 2 1 295.430 3.258 20 0 CGADMP FCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001278205634 809119830 /nfs/dbraw/zinc/11/98/30/809119830.db2.gz PWPAQSGGKBYFRL-KRWDZBQOSA-N 2 1 293.430 3.052 20 0 CGADMP FCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001278205634 809119835 /nfs/dbraw/zinc/11/98/35/809119835.db2.gz PWPAQSGGKBYFRL-KRWDZBQOSA-N 2 1 293.430 3.052 20 0 CGADMP FCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001278205634 809119838 /nfs/dbraw/zinc/11/98/38/809119838.db2.gz PWPAQSGGKBYFRL-KRWDZBQOSA-N 2 1 293.430 3.052 20 0 CGADMP FCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001278205634 809119844 /nfs/dbraw/zinc/11/98/44/809119844.db2.gz PWPAQSGGKBYFRL-KRWDZBQOSA-N 2 1 293.430 3.052 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070274 809259175 /nfs/dbraw/zinc/25/91/75/809259175.db2.gz POUNBWRTZWDSKJ-SZMVWBNQSA-N 2 1 272.436 3.330 20 0 CGADMP CC[C@H](C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001177256847 809790371 /nfs/dbraw/zinc/79/03/71/809790371.db2.gz OKSODPRHUGMTML-HOCLYGCPSA-N 2 1 254.462 3.379 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001177295206 809791892 /nfs/dbraw/zinc/79/18/92/809791892.db2.gz ZHNWIIKGPNPXAG-XWTMOSNGSA-N 2 1 296.499 3.148 20 0 CGADMP COc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc1 ZINC001177942320 809834681 /nfs/dbraw/zinc/83/46/81/809834681.db2.gz BTBHREVOPXARSH-UHFFFAOYSA-N 2 1 278.440 3.294 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(CC4CCC4)c3)[C@H]2C1 ZINC001179817921 809948632 /nfs/dbraw/zinc/94/86/32/809948632.db2.gz SJFUIPGSQVUKHU-UFYCRDLUSA-N 2 1 298.474 3.459 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001179818414 809948929 /nfs/dbraw/zinc/94/89/29/809948929.db2.gz YGNAUVBZYYUCBQ-FGTMMUONSA-N 2 1 272.436 3.069 20 0 CGADMP CCNc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001179873621 809954562 /nfs/dbraw/zinc/95/45/62/809954562.db2.gz NLEJBCZDLGEPAG-INIZCTEOSA-N 2 1 287.451 3.036 20 0 CGADMP CCNc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001179873621 809954566 /nfs/dbraw/zinc/95/45/66/809954566.db2.gz NLEJBCZDLGEPAG-INIZCTEOSA-N 2 1 287.451 3.036 20 0 CGADMP CNc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC001180533075 810009232 /nfs/dbraw/zinc/00/92/32/810009232.db2.gz XVDKNWARJFFARM-UHFFFAOYSA-N 2 1 275.440 3.033 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001182910830 810130954 /nfs/dbraw/zinc/13/09/54/810130954.db2.gz QYEBDUFRAVXALM-DLBZAZTESA-N 2 1 286.463 3.113 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001184387759 810196362 /nfs/dbraw/zinc/19/63/62/810196362.db2.gz NEOVCZNAOVMPJR-RBGFHDKUSA-N 2 1 264.457 3.131 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC4(CC4)CC3)CC[C@H]21 ZINC001191521330 810722318 /nfs/dbraw/zinc/72/23/18/810722318.db2.gz PROQKXFRGOPOFF-DLBZAZTESA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCC4(CC4)CC3)CC[C@H]21 ZINC001191521330 810722324 /nfs/dbraw/zinc/72/23/24/810722324.db2.gz PROQKXFRGOPOFF-DLBZAZTESA-N 2 1 276.468 3.373 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCC4(CC4)CC3)CC[C@H]21 ZINC001191521330 810722330 /nfs/dbraw/zinc/72/23/30/810722330.db2.gz PROQKXFRGOPOFF-DLBZAZTESA-N 2 1 276.468 3.373 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC23CCC(CC2)C3)[C@H](C)C1 ZINC001191601957 810727954 /nfs/dbraw/zinc/72/79/54/810727954.db2.gz SUZXXAPXTYDUDQ-GYXIZQIFSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC23CCC(CC2)C3)[C@H](C)C1 ZINC001191601957 810727958 /nfs/dbraw/zinc/72/79/58/810727958.db2.gz SUZXXAPXTYDUDQ-GYXIZQIFSA-N 2 1 264.457 3.229 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC23CCC(CC2)C3)[C@H](C)C1 ZINC001191601957 810727963 /nfs/dbraw/zinc/72/79/63/810727963.db2.gz SUZXXAPXTYDUDQ-GYXIZQIFSA-N 2 1 264.457 3.229 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C12CCCCC2 ZINC001194092394 811014166 /nfs/dbraw/zinc/01/41/66/811014166.db2.gz OYNXHIPIYMXBBH-IXDOHACOSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001200838486 811752123 /nfs/dbraw/zinc/75/21/23/811752123.db2.gz SBZBOIOBXJOUPA-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001200838486 811752127 /nfs/dbraw/zinc/75/21/27/811752127.db2.gz SBZBOIOBXJOUPA-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001201470591 811853416 /nfs/dbraw/zinc/85/34/16/811853416.db2.gz DFLFTMZGYUAJAJ-UHFFFAOYSA-N 2 1 287.451 3.026 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC(C)C)C[C@H]3C2)cc1 ZINC001201470332 811854146 /nfs/dbraw/zinc/85/41/46/811854146.db2.gz GMSCYIDUQVUQMT-HDICACEKSA-N 2 1 272.436 3.015 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC(C)C)C[C@H]3C2)cc1 ZINC001201470332 811854158 /nfs/dbraw/zinc/85/41/58/811854158.db2.gz GMSCYIDUQVUQMT-HDICACEKSA-N 2 1 272.436 3.015 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CC(C)C)C[C@H]3C2)cc1 ZINC001201470332 811854163 /nfs/dbraw/zinc/85/41/63/811854163.db2.gz GMSCYIDUQVUQMT-HDICACEKSA-N 2 1 272.436 3.015 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001201495570 811864363 /nfs/dbraw/zinc/86/43/63/811864363.db2.gz DXQOYANOMBUWNN-DLBZAZTESA-N 2 1 264.457 3.397 20 0 CGADMP CC(C)=CCC[C@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001201495570 811864371 /nfs/dbraw/zinc/86/43/71/811864371.db2.gz DXQOYANOMBUWNN-DLBZAZTESA-N 2 1 264.457 3.397 20 0 CGADMP CC(C)=CCC[C@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001201495570 811864386 /nfs/dbraw/zinc/86/43/86/811864386.db2.gz DXQOYANOMBUWNN-DLBZAZTESA-N 2 1 264.457 3.397 20 0 CGADMP CCCC[C@H](CC)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001201565529 811905740 /nfs/dbraw/zinc/90/57/40/811905740.db2.gz JRRMUHRLFMYDLR-HNNXBMFYSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201572719 811909785 /nfs/dbraw/zinc/90/97/85/811909785.db2.gz WTNJCNLAHHRRNA-OAHLLOKOSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001201581841 811912819 /nfs/dbraw/zinc/91/28/19/811912819.db2.gz PTLOGFSXRSVZDC-ULQDDVLXSA-N 2 1 258.409 3.117 20 0 CGADMP CC[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001201581841 811912824 /nfs/dbraw/zinc/91/28/24/811912824.db2.gz PTLOGFSXRSVZDC-ULQDDVLXSA-N 2 1 258.409 3.117 20 0 CGADMP CC[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001201581841 811912827 /nfs/dbraw/zinc/91/28/27/811912827.db2.gz PTLOGFSXRSVZDC-ULQDDVLXSA-N 2 1 258.409 3.117 20 0 CGADMP CC(C)CC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201613962 811921801 /nfs/dbraw/zinc/92/18/01/811921801.db2.gz BBBKHCQOJCNMFZ-GASCZTMLSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201613962 811921805 /nfs/dbraw/zinc/92/18/05/811921805.db2.gz BBBKHCQOJCNMFZ-GASCZTMLSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201613962 811921812 /nfs/dbraw/zinc/92/18/12/811921812.db2.gz BBBKHCQOJCNMFZ-GASCZTMLSA-N 2 1 278.465 3.158 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201613962 811921817 /nfs/dbraw/zinc/92/18/17/811921817.db2.gz BBBKHCQOJCNMFZ-GASCZTMLSA-N 2 1 278.465 3.158 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](CC4CCC4)C[C@H]3C2)cc1 ZINC001202775240 812170371 /nfs/dbraw/zinc/17/03/71/812170371.db2.gz AURLBNKVPZCGNG-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC001202775240 812170375 /nfs/dbraw/zinc/17/03/75/812170375.db2.gz AURLBNKVPZCGNG-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC001202775240 812170378 /nfs/dbraw/zinc/17/03/78/812170378.db2.gz AURLBNKVPZCGNG-MOPGFXCFSA-N 2 1 284.447 3.240 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001204035745 812528122 /nfs/dbraw/zinc/52/81/22/812528122.db2.gz SFKFFBAYFVXBTE-AWEZNQCLSA-N 2 1 288.416 3.413 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001204035745 812528128 /nfs/dbraw/zinc/52/81/28/812528128.db2.gz SFKFFBAYFVXBTE-AWEZNQCLSA-N 2 1 288.416 3.413 20 0 CGADMP Cn1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2ccccc21 ZINC001204311342 812609705 /nfs/dbraw/zinc/60/97/05/812609705.db2.gz BKNMYSQASOZDOK-UHFFFAOYSA-N 2 1 297.446 3.239 20 0 CGADMP C[N@@H+](CCCc1ccc(F)c(F)c1)CC1CC[NH+](C)CC1 ZINC001204449099 812642323 /nfs/dbraw/zinc/64/23/23/812642323.db2.gz JDEVTFFTQFEVOQ-UHFFFAOYSA-N 2 1 296.405 3.171 20 0 CGADMP c1ccc(CCCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727785 812718958 /nfs/dbraw/zinc/71/89/58/812718958.db2.gz OXTREXXJCFBQTA-UHFFFAOYSA-N 2 1 286.463 3.475 20 0 CGADMP Fc1c(Cl)cccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735429 812720258 /nfs/dbraw/zinc/72/02/58/812720258.db2.gz UTCIKYQRXCSWFT-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204764377 812728653 /nfs/dbraw/zinc/72/86/53/812728653.db2.gz YFTIDNLKGHNJLM-AEFFLSMTSA-N 2 1 294.483 3.077 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763942 812729226 /nfs/dbraw/zinc/72/92/26/812729226.db2.gz UFINYOYPBKJAQU-GOEBONIOSA-N 2 1 270.461 3.031 20 0 CGADMP C[C@H]([NH3+])C[NH+]1CCC(CCCc2ccccc2)CC1 ZINC001204885177 812763944 /nfs/dbraw/zinc/76/39/44/812763944.db2.gz MJJNVQXFTKFNQX-HNNXBMFYSA-N 2 1 260.425 3.069 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@](C)([NH3+])C2)C1(C)C ZINC001204937498 812785408 /nfs/dbraw/zinc/78/54/08/812785408.db2.gz CTGPRDHIMPNKNG-HOCLYGCPSA-N 2 1 250.430 3.182 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205009516 812822084 /nfs/dbraw/zinc/82/20/84/812822084.db2.gz VRFJKIQGXQONQQ-HNNXBMFYSA-N 2 1 285.435 3.093 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205102159 812866709 /nfs/dbraw/zinc/86/67/09/812866709.db2.gz PHENXOPGDDVHMU-CQSZACIVSA-N 2 1 286.341 3.327 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205102159 812866719 /nfs/dbraw/zinc/86/67/19/812866719.db2.gz PHENXOPGDDVHMU-CQSZACIVSA-N 2 1 286.341 3.327 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2nccs2)CC1 ZINC001205110139 812870398 /nfs/dbraw/zinc/87/03/98/812870398.db2.gz PLBQNAQNWOFIML-AWEZNQCLSA-N 2 1 287.432 3.123 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205117883 812874568 /nfs/dbraw/zinc/87/45/68/812874568.db2.gz XSOJSLOMDQGJHA-HNNXBMFYSA-N 2 1 276.424 3.177 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c(F)cccc23)CC1 ZINC001205123872 812877406 /nfs/dbraw/zinc/87/74/06/812877406.db2.gz GGJMWPPBBVXZOX-CQSZACIVSA-N 2 1 272.367 3.292 20 0 CGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124478 812878247 /nfs/dbraw/zinc/87/82/47/812878247.db2.gz SEQWVVMRIQMOEH-GFCCVEGCSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124478 812878256 /nfs/dbraw/zinc/87/82/56/812878256.db2.gz SEQWVVMRIQMOEH-GFCCVEGCSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124590 812879315 /nfs/dbraw/zinc/87/93/15/812879315.db2.gz WCJHAIHKPPAZKP-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)c1Cl ZINC001205130886 812880837 /nfs/dbraw/zinc/88/08/37/812880837.db2.gz NTCOMIJBKFACSM-CQSZACIVSA-N 2 1 266.816 3.270 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205145718 812886385 /nfs/dbraw/zinc/88/63/85/812886385.db2.gz CIHGNIYVOLHPPO-WCQYABFASA-N 2 1 286.341 3.040 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001205257456 812919411 /nfs/dbraw/zinc/91/94/11/812919411.db2.gz VOFSQWIKHMHOIC-JYJNAYRXSA-N 2 1 250.430 3.182 20 0 CGADMP CC(=O)n1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c2ccccc21 ZINC001205265148 812921967 /nfs/dbraw/zinc/92/19/67/812921967.db2.gz NSWCIDYSHPNUTQ-SFHVURJKSA-N 2 1 299.418 3.005 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205296250 812937078 /nfs/dbraw/zinc/93/70/78/812937078.db2.gz JZJZXKAAAXAXPX-ARFHVFGLSA-N 2 1 252.446 3.286 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205296252 812937218 /nfs/dbraw/zinc/93/72/18/812937218.db2.gz JZJZXKAAAXAXPX-JYJNAYRXSA-N 2 1 252.446 3.286 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205296574 812937656 /nfs/dbraw/zinc/93/76/56/812937656.db2.gz RINGVXOKHGWSLW-KRWDZBQOSA-N 2 1 276.424 3.097 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC001205303628 812941631 /nfs/dbraw/zinc/94/16/31/812941631.db2.gz IWZJAGMSTXQAKJ-GOEBONIOSA-N 2 1 274.452 3.401 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)C[C@@H]1C[NH3+] ZINC001205315349 812948157 /nfs/dbraw/zinc/94/81/57/812948157.db2.gz FDOIYZSNWSPQMA-AAEUAGOBSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318204 812950330 /nfs/dbraw/zinc/95/03/30/812950330.db2.gz SUVVQYZSEVUSCM-JSGCOSHPSA-N 2 1 266.816 3.065 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)c2)C[C@H]1C[NH3+] ZINC001205318668 812951744 /nfs/dbraw/zinc/95/17/44/812951744.db2.gz WAPQADYPFCELAW-GOEBONIOSA-N 2 1 290.451 3.281 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001205545589 812999148 /nfs/dbraw/zinc/99/91/48/812999148.db2.gz JRJIYIGCAZFAKH-AWEZNQCLSA-N 2 1 288.769 3.132 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)c[nH]c2c1 ZINC001205545381 812999851 /nfs/dbraw/zinc/99/98/51/812999851.db2.gz FXSXLYDZKOTSHS-KRWDZBQOSA-N 2 1 289.398 3.129 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205546905 812999861 /nfs/dbraw/zinc/99/98/61/812999861.db2.gz ZGVQVDSKXSBSQB-QGZVFWFLSA-N 2 1 294.414 3.128 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2sccc2Cl)CC[C@@H]1C[NH3+] ZINC001205602565 813020073 /nfs/dbraw/zinc/02/00/73/813020073.db2.gz JSCLOHPLBDMXHK-WDEREUQCSA-N 2 1 272.845 3.208 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)o1 ZINC001205604749 813020885 /nfs/dbraw/zinc/02/08/85/813020885.db2.gz WQPIGAVKNQFZQO-IIAWOOMASA-N 2 1 278.440 3.388 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(O)ccc3c2)CC[C@H]1C[NH3+] ZINC001205617147 813025899 /nfs/dbraw/zinc/02/58/99/813025899.db2.gz HTZVCVIYBKJYBV-KDOFPFPSSA-N 2 1 298.430 3.352 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3cccnc3c2)CC[C@@H]1C[NH3+] ZINC001205616005 813027330 /nfs/dbraw/zinc/02/73/30/813027330.db2.gz BRHJLVPJJPRXSO-WMLDXEAASA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3F)CC[C@@H]1C[NH3+] ZINC001205618350 813028300 /nfs/dbraw/zinc/02/83/00/813028300.db2.gz VIJBTXITJZTBPT-CHWSQXEVSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)ccc2c1 ZINC001205617592 813028832 /nfs/dbraw/zinc/02/88/32/813028832.db2.gz LERVNSVSQNCISH-RDJZCZTQSA-N 2 1 297.446 3.350 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205617692 813029266 /nfs/dbraw/zinc/02/92/66/813029266.db2.gz MJPMZXIAYPMRLM-HZPDHXFCSA-N 2 1 290.451 3.282 20 0 CGADMP CC(C)c1nc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cs1 ZINC001205618316 813029345 /nfs/dbraw/zinc/02/93/45/813029345.db2.gz ULCOGVBYSOWHTQ-QWHCGFSZSA-N 2 1 281.469 3.073 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)CC[C@@H]1C[NH3+] ZINC001205626301 813032758 /nfs/dbraw/zinc/03/27/58/813032758.db2.gz FNWSESLJMPCTPG-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3scnc3c2)CC[C@H]1C[NH3+] ZINC001205626846 813033172 /nfs/dbraw/zinc/03/31/72/813033172.db2.gz JUNRXNOBRBOEMQ-JSGCOSHPSA-N 2 1 289.448 3.103 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(C)c1F ZINC001205627656 813034784 /nfs/dbraw/zinc/03/47/84/813034784.db2.gz RIKBEKGNTMLEPD-WBMJQRKESA-N 2 1 278.415 3.249 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccsc2Cl)CC[C@@H]1C[NH3+] ZINC001205638831 813037542 /nfs/dbraw/zinc/03/75/42/813037542.db2.gz SHYILGMECFXDQI-WDEREUQCSA-N 2 1 272.845 3.208 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)cc1F ZINC001205639286 813037975 /nfs/dbraw/zinc/03/79/75/813037975.db2.gz YMRSZQRVFHCPEK-WCQYABFASA-N 2 1 282.378 3.080 20 0 CGADMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc(F)c1F ZINC001205651330 813042113 /nfs/dbraw/zinc/04/21/13/813042113.db2.gz CSZPZWGMHPZFAG-DGCLKSJQSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc3cc[nH]c32)CC[C@H]1C[NH3+] ZINC001205665794 813048604 /nfs/dbraw/zinc/04/86/04/813048604.db2.gz VKKXZQSXYOVCAS-JSGCOSHPSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205814179 813090832 /nfs/dbraw/zinc/09/08/32/813090832.db2.gz BKTMDPMHLRRSGR-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001205814179 813090837 /nfs/dbraw/zinc/09/08/37/813090837.db2.gz BKTMDPMHLRRSGR-DNVCBOLYSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1cnccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001205862679 813112503 /nfs/dbraw/zinc/11/25/03/813112503.db2.gz LVKRSELSXTYSMY-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cnccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001205862679 813112508 /nfs/dbraw/zinc/11/25/08/813112508.db2.gz LVKRSELSXTYSMY-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cnccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001205862679 813112512 /nfs/dbraw/zinc/11/25/12/813112512.db2.gz LVKRSELSXTYSMY-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCC(C)(C)c1ccccc1 ZINC001205900997 813123518 /nfs/dbraw/zinc/12/35/18/813123518.db2.gz AJGSCLDMYZCNAH-CVEARBPZSA-N 2 1 274.452 3.414 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c[nH]c21 ZINC001205902060 813124664 /nfs/dbraw/zinc/12/46/64/813124664.db2.gz HHPRXFUDWUEDED-KBPBESRZSA-N 2 1 271.408 3.036 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1C(C)C ZINC001205903593 813125855 /nfs/dbraw/zinc/12/58/55/813125855.db2.gz QGRYPVNQHOVTIL-GDBMZVCRSA-N 2 1 290.451 3.378 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205903610 813125925 /nfs/dbraw/zinc/12/59/25/813125925.db2.gz QGVYXUYZHGVCGX-ZFWWWQNUSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC001205913252 813129643 /nfs/dbraw/zinc/12/96/43/813129643.db2.gz IAZYATFZOQBCBH-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1-n1cccc1 ZINC001205913050 813130115 /nfs/dbraw/zinc/13/01/15/813130115.db2.gz GKYNJHLJRMTGET-JKSUJKDBSA-N 2 1 283.419 3.037 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(C)c1F ZINC001205913554 813130533 /nfs/dbraw/zinc/13/05/33/813130533.db2.gz JBCGGYAHRAOKON-ZFWWWQNUSA-N 2 1 264.388 3.002 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205914055 813131057 /nfs/dbraw/zinc/13/10/57/813131057.db2.gz KTTOHPSRXDJBJH-HUUCEWRRSA-N 2 1 260.425 3.369 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccc(Cl)cc2[nH]1 ZINC001205914550 813131102 /nfs/dbraw/zinc/13/11/02/813131102.db2.gz MWCCISPUKZPIDF-YPMHNXCESA-N 2 1 291.826 3.381 20 0 CGADMP C[C@H]1C[N@@H+](CC2CCC(F)(F)CC2)CCC[C@H]1C[NH3+] ZINC001205983964 813151509 /nfs/dbraw/zinc/15/15/09/813151509.db2.gz QOIPNQUORWIXIF-JSGCOSHPSA-N 2 1 274.399 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CCC[C@H]1C[NH3+] ZINC001205995330 813157219 /nfs/dbraw/zinc/15/72/19/813157219.db2.gz NQMNZPDWSYAQJA-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CCC[C@H]1C[NH3+] ZINC001205996087 813157466 /nfs/dbraw/zinc/15/74/66/813157466.db2.gz UQBSYEOICJHKKC-KBPBESRZSA-N 2 1 277.456 3.119 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CCC[C@H]1C[NH3+] ZINC001206005527 813162845 /nfs/dbraw/zinc/16/28/45/813162845.db2.gz YKQZSLUVHLFQBL-CJNGLKHVSA-N 2 1 272.392 3.240 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206011563 813163531 /nfs/dbraw/zinc/16/35/31/813163531.db2.gz DSYZYMKBPQTLMN-WCQYABFASA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001206013142 813165421 /nfs/dbraw/zinc/16/54/21/813165421.db2.gz POUXUQMVMKVDBL-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC001206014520 813166410 /nfs/dbraw/zinc/16/64/10/813166410.db2.gz XEAWPAVKORGSEK-JKSUJKDBSA-N 2 1 290.451 3.119 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206024402 813170646 /nfs/dbraw/zinc/17/06/46/813170646.db2.gz JKRCMTKWEYVWCJ-NVXWUHKLSA-N 2 1 274.452 3.364 20 0 CGADMP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206036416 813175949 /nfs/dbraw/zinc/17/59/49/813175949.db2.gz JIBJLVKADOHOOB-UIBBOPPKSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC001206036416 813175955 /nfs/dbraw/zinc/17/59/55/813175955.db2.gz JIBJLVKADOHOOB-UIBBOPPKSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C[C@@H]1C ZINC001206109756 813202760 /nfs/dbraw/zinc/20/27/60/813202760.db2.gz GNUGILWQMVRRTB-CABCVRRESA-N 2 1 272.436 3.200 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC001206110239 813203349 /nfs/dbraw/zinc/20/33/49/813203349.db2.gz QYNDNGCWQVYTIO-HUUCEWRRSA-N 2 1 272.436 3.200 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1C(C)C ZINC001206172544 813224923 /nfs/dbraw/zinc/22/49/23/813224923.db2.gz APADWKBOLRCBJZ-HOTGVXAUSA-N 2 1 294.414 3.080 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206196061 813235368 /nfs/dbraw/zinc/23/53/68/813235368.db2.gz APOFJHDHDWLSQL-HOTGVXAUSA-N 2 1 264.388 3.071 20 0 CGADMP COc1ccc2cc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)ccc2c1 ZINC001206257902 813260366 /nfs/dbraw/zinc/26/03/66/813260366.db2.gz MPJFYEUPALNFFL-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[NH2+]C[C@@H]3C)ccc2c1 ZINC001206257902 813260373 /nfs/dbraw/zinc/26/03/73/813260373.db2.gz MPJFYEUPALNFFL-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295292 813274883 /nfs/dbraw/zinc/27/48/83/813274883.db2.gz MDDKSGPHAMFAPL-AEFFLSMTSA-N 2 1 298.515 3.405 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC001206296022 813276889 /nfs/dbraw/zinc/27/68/89/813276889.db2.gz OTMNFYMLXOXONU-GOSISDBHSA-N 2 1 274.452 3.460 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2ccc(F)cc2Cl)CC1 ZINC001206295721 813277117 /nfs/dbraw/zinc/27/71/17/813277117.db2.gz NCLLNWREKFYGSR-INIZCTEOSA-N 2 1 298.833 3.473 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001206304661 813281115 /nfs/dbraw/zinc/28/11/15/813281115.db2.gz NNDLGEFAMGBUOB-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc2ccccc21 ZINC001206311775 813284446 /nfs/dbraw/zinc/28/44/46/813284446.db2.gz UUTKXIOCJKUDEO-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(C)s1 ZINC001206344052 813296573 /nfs/dbraw/zinc/29/65/73/813296573.db2.gz LZOZPZLMHFEHDB-CQSZACIVSA-N 2 1 270.417 3.018 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(C)s1 ZINC001206344052 813296579 /nfs/dbraw/zinc/29/65/79/813296579.db2.gz LZOZPZLMHFEHDB-CQSZACIVSA-N 2 1 270.417 3.018 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206363457 813304198 /nfs/dbraw/zinc/30/41/98/813304198.db2.gz XHFIBLOXXZGTAH-QGZVFWFLSA-N 2 1 276.399 3.217 20 0 CGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206363457 813304206 /nfs/dbraw/zinc/30/42/06/813304206.db2.gz XHFIBLOXXZGTAH-QGZVFWFLSA-N 2 1 276.399 3.217 20 0 CGADMP COc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001206554935 813351540 /nfs/dbraw/zinc/35/15/40/813351540.db2.gz ISIJZPCBVQPSOH-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001206554935 813351548 /nfs/dbraw/zinc/35/15/48/813351548.db2.gz ISIJZPCBVQPSOH-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP CC(C)[N@@H+](CCc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206582428 813362207 /nfs/dbraw/zinc/36/22/07/813362207.db2.gz NQGGYKQPMWKRHF-QGZVFWFLSA-N 2 1 278.415 3.221 20 0 CGADMP CC(C)[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[C@@H]1CCC[NH2+]CC1 ZINC001206581036 813363008 /nfs/dbraw/zinc/36/30/08/813363008.db2.gz HJHZJJCTCSFSLY-YLFCFFPRSA-N 2 1 262.441 3.051 20 0 CGADMP Cc1sccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206597720 813370235 /nfs/dbraw/zinc/37/02/35/813370235.db2.gz FNEBLACXSINKKD-HNNXBMFYSA-N 2 1 266.454 3.409 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606588 813371874 /nfs/dbraw/zinc/37/18/74/813371874.db2.gz QQXAYHPXTFHVMN-HOTGVXAUSA-N 2 1 252.446 3.430 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@H](C[NH3+])C2)o1 ZINC001206606142 813372283 /nfs/dbraw/zinc/37/22/83/813372283.db2.gz FMIPFBHNMNHTDJ-HIFRSBDPSA-N 2 1 264.413 3.142 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC001206606280 813373323 /nfs/dbraw/zinc/37/33/23/813373323.db2.gz JBDNYPKCKLQQKW-LBPRGKRZSA-N 2 1 284.806 3.082 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc21 ZINC001206616953 813375476 /nfs/dbraw/zinc/37/54/76/813375476.db2.gz VFECAIZJTMZZQF-INIZCTEOSA-N 2 1 285.435 3.222 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001206624915 813378695 /nfs/dbraw/zinc/37/86/95/813378695.db2.gz ZXFDXOTVURQALA-GFCCVEGCSA-N 2 1 291.826 3.382 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001206641233 813383392 /nfs/dbraw/zinc/38/33/92/813383392.db2.gz USVLMWZVLSWVNL-GFCCVEGCSA-N 2 1 276.355 3.133 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206640014 813383564 /nfs/dbraw/zinc/38/35/64/813383564.db2.gz HULONSGAJZXAQM-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206640014 813383572 /nfs/dbraw/zinc/38/35/72/813383572.db2.gz HULONSGAJZXAQM-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1C(F)F ZINC001206641455 813384251 /nfs/dbraw/zinc/38/42/51/813384251.db2.gz XPEKIXJTUNKYRP-ZDUSSCGKSA-N 2 1 298.377 3.194 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c3ccoc3ccc2F)C1 ZINC001206648212 813387550 /nfs/dbraw/zinc/38/75/50/813387550.db2.gz MNLYPKHTQIBNQN-LBPRGKRZSA-N 2 1 276.355 3.133 20 0 CGADMP COc1ccc(-c2ccc(C[NH+]3CC(C)(C[NH3+])C3)cc2)cc1 ZINC001206718000 813406833 /nfs/dbraw/zinc/40/68/33/813406833.db2.gz JGFQXOWIRMXSRS-UHFFFAOYSA-N 2 1 296.414 3.143 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(C)c1F ZINC001206767609 813431047 /nfs/dbraw/zinc/43/10/47/813431047.db2.gz CNCDNNNQJYCOBT-KBPBESRZSA-N 2 1 264.388 3.002 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Cl ZINC001206769686 813432338 /nfs/dbraw/zinc/43/23/38/813432338.db2.gz PGLXMVKXGKOJDR-JSGCOSHPSA-N 2 1 266.816 3.208 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206807367 813441752 /nfs/dbraw/zinc/44/17/52/813441752.db2.gz IPGCPKFGXCBKHG-KBPBESRZSA-N 2 1 294.414 3.174 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206807367 813441755 /nfs/dbraw/zinc/44/17/55/813441755.db2.gz IPGCPKFGXCBKHG-KBPBESRZSA-N 2 1 294.414 3.174 20 0 CGADMP Cc1ccnc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001206852872 813454125 /nfs/dbraw/zinc/45/41/25/813454125.db2.gz JDYXDPGLJWIPQV-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccnc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001206852872 813454128 /nfs/dbraw/zinc/45/41/28/813454128.db2.gz JDYXDPGLJWIPQV-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccnc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001206852872 813454132 /nfs/dbraw/zinc/45/41/32/813454132.db2.gz JDYXDPGLJWIPQV-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccnc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001206852872 813454136 /nfs/dbraw/zinc/45/41/36/813454136.db2.gz JDYXDPGLJWIPQV-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC001207175270 813503625 /nfs/dbraw/zinc/50/36/25/813503625.db2.gz SLDRLCQJLWIIBG-GBESFXJTSA-N 2 1 286.463 3.452 20 0 CGADMP CCCc1cccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001207175242 813503736 /nfs/dbraw/zinc/50/37/36/813503736.db2.gz RVNGJWKCOYEFJE-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001207175242 813503740 /nfs/dbraw/zinc/50/37/40/813503740.db2.gz RVNGJWKCOYEFJE-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001207175242 813503745 /nfs/dbraw/zinc/50/37/45/813503745.db2.gz RVNGJWKCOYEFJE-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001207175242 813503753 /nfs/dbraw/zinc/50/37/53/813503753.db2.gz RVNGJWKCOYEFJE-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001207175242 813503760 /nfs/dbraw/zinc/50/37/60/813503760.db2.gz RVNGJWKCOYEFJE-ZWKOTPCHSA-N 2 1 272.436 3.165 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001207261284 813523368 /nfs/dbraw/zinc/52/33/68/813523368.db2.gz RNIMYPLWSPWANF-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001207261036 813523945 /nfs/dbraw/zinc/52/39/45/813523945.db2.gz IZUJKYREPVMYPH-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001207288096 813535755 /nfs/dbraw/zinc/53/57/55/813535755.db2.gz ZXBPPCDAXXDNFY-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001207400730 813556846 /nfs/dbraw/zinc/55/68/46/813556846.db2.gz BJJBTGNOXJDDJO-GOSISDBHSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001207485635 813572217 /nfs/dbraw/zinc/57/22/17/813572217.db2.gz YWZFUVXNDGMSLD-SJORKVTESA-N 2 1 264.457 3.230 20 0 CGADMP CCc1ccc(C[N@@H+](C)CCC2CC[NH+](C)CC2)cc1 ZINC001207486259 813572374 /nfs/dbraw/zinc/57/23/74/813572374.db2.gz FKUOQDOMLODNKO-UHFFFAOYSA-N 2 1 274.452 3.413 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001207487409 813574198 /nfs/dbraw/zinc/57/41/98/813574198.db2.gz ISPGFGXEIFOFSP-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP C[N@H+](CCc1ccccc1F)CCC1CC[NH+](C)CC1 ZINC001207486723 813575109 /nfs/dbraw/zinc/57/51/09/813575109.db2.gz BVCTTYXFLCNITH-UHFFFAOYSA-N 2 1 278.415 3.032 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCc2ccc(F)cc2)CC1 ZINC001207513439 813581801 /nfs/dbraw/zinc/58/18/01/813581801.db2.gz MTGBFAVTCBYYHG-UHFFFAOYSA-N 2 1 292.442 3.420 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1ccc(F)cc1 ZINC001207519229 813584982 /nfs/dbraw/zinc/58/49/82/813584982.db2.gz UDNMYRCTXJRPQE-UHFFFAOYSA-N 2 1 266.404 3.032 20 0 CGADMP Cc1cccc(CC[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001207536056 813588850 /nfs/dbraw/zinc/58/88/50/813588850.db2.gz CKCOLAWXHJZANB-UHFFFAOYSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1cccc(CC[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001207536056 813588853 /nfs/dbraw/zinc/58/88/53/813588853.db2.gz CKCOLAWXHJZANB-UHFFFAOYSA-N 2 1 272.436 3.096 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207636816 813625878 /nfs/dbraw/zinc/62/58/78/813625878.db2.gz YEEPSXDGDWJEOM-GVDBMIGSSA-N 2 1 276.468 3.395 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207693630 813637560 /nfs/dbraw/zinc/63/75/60/813637560.db2.gz UVEAFHAWIQQJMD-MRXNPFEDSA-N 2 1 296.499 3.124 20 0 CGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001207747517 813644323 /nfs/dbraw/zinc/64/43/23/813644323.db2.gz KYZSKDBIZQOQBQ-QGZVFWFLSA-N 2 1 296.524 3.470 20 0 CGADMP CC[N@H+](C)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207840508 813659769 /nfs/dbraw/zinc/65/97/69/813659769.db2.gz JWRLSBONXCEIJX-UHFFFAOYSA-N 2 1 272.436 3.134 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207840508 813659774 /nfs/dbraw/zinc/65/97/74/813659774.db2.gz JWRLSBONXCEIJX-UHFFFAOYSA-N 2 1 272.436 3.134 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)C2CCCCC2)CCCC1 ZINC001208182455 813733412 /nfs/dbraw/zinc/73/34/12/813733412.db2.gz VSIQXVIAJAFZOX-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2c2cccnc2)CCCC1 ZINC001208182473 813734023 /nfs/dbraw/zinc/73/40/23/813734023.db2.gz WXMRVNKNINMXPR-KRWDZBQOSA-N 2 1 287.451 3.341 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208187438 813735219 /nfs/dbraw/zinc/73/52/19/813735219.db2.gz KZJFVQGTRQKHKS-HNNXBMFYSA-N 2 1 252.446 3.229 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208219470 813750512 /nfs/dbraw/zinc/75/05/12/813750512.db2.gz PNXXODRFJKTNST-ZACQAIPSSA-N 2 1 296.499 3.101 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001208219470 813750516 /nfs/dbraw/zinc/75/05/16/813750516.db2.gz PNXXODRFJKTNST-ZACQAIPSSA-N 2 1 296.499 3.101 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001208219470 813750522 /nfs/dbraw/zinc/75/05/22/813750522.db2.gz PNXXODRFJKTNST-ZACQAIPSSA-N 2 1 296.499 3.101 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC001208601949 813770594 /nfs/dbraw/zinc/77/05/94/813770594.db2.gz UMHOGJWSTKNABW-OAHLLOKOSA-N 2 1 272.436 3.165 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001208612589 813775243 /nfs/dbraw/zinc/77/52/43/813775243.db2.gz CSNQGMSFBSNIIU-SJLPKXTDSA-N 2 1 290.426 3.174 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001208612589 813775257 /nfs/dbraw/zinc/77/52/57/813775257.db2.gz CSNQGMSFBSNIIU-SJLPKXTDSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001208612589 813775263 /nfs/dbraw/zinc/77/52/63/813775263.db2.gz CSNQGMSFBSNIIU-SJLPKXTDSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001208612589 813775272 /nfs/dbraw/zinc/77/52/72/813775272.db2.gz CSNQGMSFBSNIIU-SJLPKXTDSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@@H](CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)CC(C)(C)C ZINC001208655641 813782491 /nfs/dbraw/zinc/78/24/91/813782491.db2.gz RWFAOWJHPSNGOW-XHSDSOJGSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)CC(C)(C)C ZINC001208655641 813782494 /nfs/dbraw/zinc/78/24/94/813782494.db2.gz RWFAOWJHPSNGOW-XHSDSOJGSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)CC(C)(C)C ZINC001208655641 813782497 /nfs/dbraw/zinc/78/24/97/813782497.db2.gz RWFAOWJHPSNGOW-XHSDSOJGSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927724 813900862 /nfs/dbraw/zinc/90/08/62/813900862.db2.gz DLIDLFQVJWIHTH-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927724 813900867 /nfs/dbraw/zinc/90/08/67/813900867.db2.gz DLIDLFQVJWIHTH-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927724 813900869 /nfs/dbraw/zinc/90/08/69/813900869.db2.gz DLIDLFQVJWIHTH-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927724 813900874 /nfs/dbraw/zinc/90/08/74/813900874.db2.gz DLIDLFQVJWIHTH-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC001208951084 813906038 /nfs/dbraw/zinc/90/60/38/813906038.db2.gz YLFRYQLYCRADLJ-AOCRQIFASA-N 2 1 270.420 3.135 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC001208951084 813906045 /nfs/dbraw/zinc/90/60/45/813906045.db2.gz YLFRYQLYCRADLJ-AOCRQIFASA-N 2 1 270.420 3.135 20 0 CGADMP CC1(C)CCC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208949860 813906665 /nfs/dbraw/zinc/90/66/65/813906665.db2.gz YWUWBIXFSRFVJQ-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208949860 813906670 /nfs/dbraw/zinc/90/66/70/813906670.db2.gz YWUWBIXFSRFVJQ-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949860 813906673 /nfs/dbraw/zinc/90/66/73/813906673.db2.gz YWUWBIXFSRFVJQ-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP CC1(C)CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949860 813906680 /nfs/dbraw/zinc/90/66/80/813906680.db2.gz YWUWBIXFSRFVJQ-KRWDZBQOSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC001208946300 813906827 /nfs/dbraw/zinc/90/68/27/813906827.db2.gz GEFKEHJBNKJPEZ-OAHLLOKOSA-N 2 1 294.389 3.238 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC001208946300 813906832 /nfs/dbraw/zinc/90/68/32/813906832.db2.gz GEFKEHJBNKJPEZ-OAHLLOKOSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC001208946300 813906841 /nfs/dbraw/zinc/90/68/41/813906841.db2.gz GEFKEHJBNKJPEZ-OAHLLOKOSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC001208946300 813906847 /nfs/dbraw/zinc/90/68/47/813906847.db2.gz GEFKEHJBNKJPEZ-OAHLLOKOSA-N 2 1 294.389 3.238 20 0 CGADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947824 813908421 /nfs/dbraw/zinc/90/84/21/813908421.db2.gz DILJLBRHHIBODW-ZWKOTPCHSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H]1CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947824 813908428 /nfs/dbraw/zinc/90/84/28/813908428.db2.gz DILJLBRHHIBODW-ZWKOTPCHSA-N 2 1 272.436 3.383 20 0 CGADMP CC[C@@H]1CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947824 813908434 /nfs/dbraw/zinc/90/84/34/813908434.db2.gz DILJLBRHHIBODW-ZWKOTPCHSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@@H+]1CC=C(Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC001208978353 813910115 /nfs/dbraw/zinc/91/01/15/813910115.db2.gz BRBSERQSKAFIRE-UHFFFAOYSA-N 2 1 299.462 3.346 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209420424 814022263 /nfs/dbraw/zinc/02/22/63/814022263.db2.gz DFAPGFDKIOVWBJ-VQIMIIECSA-N 2 1 286.463 3.486 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209420423 814022575 /nfs/dbraw/zinc/02/25/75/814022575.db2.gz DFAPGFDKIOVWBJ-QFBILLFUSA-N 2 1 286.463 3.486 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+](CCC13CC4CC(CC(C4)C1)C3)CC2 ZINC001209447940 814044635 /nfs/dbraw/zinc/04/46/35/814044635.db2.gz SPCLECKZNRZYFI-UHFFFAOYSA-N 2 1 299.462 3.348 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+](CCC13CC4CC(CC(C4)C1)C3)CC2 ZINC001209447940 814044640 /nfs/dbraw/zinc/04/46/40/814044640.db2.gz SPCLECKZNRZYFI-UHFFFAOYSA-N 2 1 299.462 3.348 20 0 CGADMP c1cc2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2o1 ZINC001222153867 816361223 /nfs/dbraw/zinc/36/12/23/816361223.db2.gz BSWZJPMOYDHIBU-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222154478 816363118 /nfs/dbraw/zinc/36/31/18/816363118.db2.gz NMUUUZIJBRSPEF-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222154478 816363125 /nfs/dbraw/zinc/36/31/25/816363125.db2.gz NMUUUZIJBRSPEF-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222238037 816382815 /nfs/dbraw/zinc/38/28/15/816382815.db2.gz YWTLZINIIFRPFE-KRWDZBQOSA-N 2 1 258.409 3.021 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222242920 816384041 /nfs/dbraw/zinc/38/40/41/816384041.db2.gz IAWLWAQTDQTQEM-IBGZPJMESA-N 2 1 297.446 3.379 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222242920 816384049 /nfs/dbraw/zinc/38/40/49/816384049.db2.gz IAWLWAQTDQTQEM-IBGZPJMESA-N 2 1 297.446 3.379 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222259511 816388815 /nfs/dbraw/zinc/38/88/15/816388815.db2.gz RRBQSGBGRSBQDR-SFHVURJKSA-N 2 1 290.426 3.224 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)ccc2[nH]1 ZINC001222265480 816391751 /nfs/dbraw/zinc/39/17/51/816391751.db2.gz UJSACNKJBBUKOA-SFHVURJKSA-N 2 1 283.419 3.134 20 0 CGADMP COc1ccc(C)c(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222298510 816400864 /nfs/dbraw/zinc/40/08/64/816400864.db2.gz XMHHXNBIELEVKT-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222310440 816404953 /nfs/dbraw/zinc/40/49/53/816404953.db2.gz VOJIPRWCFQSLOT-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222315303 816406246 /nfs/dbraw/zinc/40/62/46/816406246.db2.gz MTJZJHSUEJAQAC-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320709 816408550 /nfs/dbraw/zinc/40/85/50/816408550.db2.gz LLIATONFIIPRBX-QGZVFWFLSA-N 2 1 276.399 3.242 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422371 816440259 /nfs/dbraw/zinc/44/02/59/816440259.db2.gz UOJGEEVUVZJWOC-CVEARBPZSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222464868 816449721 /nfs/dbraw/zinc/44/97/21/816449721.db2.gz GMAGFZZBUDGZDB-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222464868 816449726 /nfs/dbraw/zinc/44/97/26/816449726.db2.gz GMAGFZZBUDGZDB-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)(C)CC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596281 816474884 /nfs/dbraw/zinc/47/48/84/816474884.db2.gz TZNFTTVPMYCBRX-INIZCTEOSA-N 2 1 272.436 3.112 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596033 816475204 /nfs/dbraw/zinc/47/52/04/816475204.db2.gz OUURQZGTEDZVNV-LJQANCHMSA-N 2 1 292.426 3.184 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC001222614165 816479351 /nfs/dbraw/zinc/47/93/51/816479351.db2.gz AYNRFZUMMODCHA-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)C1(C)C ZINC001222615939 816479722 /nfs/dbraw/zinc/47/97/22/816479722.db2.gz UIIIRWXCYMTQSI-HRCADAONSA-N 2 1 262.441 3.053 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(C)c1Cl ZINC001222629715 816483465 /nfs/dbraw/zinc/48/34/65/816483465.db2.gz MEDJATOHBCSLIJ-IYBDPMFKSA-N 2 1 292.854 3.388 20 0 CGADMP C[NH2+]Cc1cccc(-c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)c1 ZINC001242999957 823206578 /nfs/dbraw/zinc/20/65/78/823206578.db2.gz VGZYHCWSWDIISS-LJQANCHMSA-N 2 1 280.415 3.492 20 0 CGADMP Cc1cc(F)cc(C)c1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001228556071 817936789 /nfs/dbraw/zinc/93/67/89/817936789.db2.gz JXSBBBGZNNTDRD-UHFFFAOYSA-N 2 1 276.399 3.161 20 0 CGADMP COc1ccc(CC[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1 ZINC001232014207 818232595 /nfs/dbraw/zinc/23/25/95/818232595.db2.gz KVJGFTLZXZHDKR-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001232011422 818233759 /nfs/dbraw/zinc/23/37/59/818233759.db2.gz KEZXFDZOKNJRPZ-KRWDZBQOSA-N 2 1 278.359 3.295 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C2CC(F)(F)C2)c1 ZINC001232143448 818261251 /nfs/dbraw/zinc/26/12/51/818261251.db2.gz DWASKFLUVVILKO-UHFFFAOYSA-N 2 1 286.341 3.117 20 0 CGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC001232248894 818293705 /nfs/dbraw/zinc/29/37/05/818293705.db2.gz CZZHDAPMVKCMCL-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC001232248894 818293709 /nfs/dbraw/zinc/29/37/09/818293709.db2.gz CZZHDAPMVKCMCL-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC001232248894 818293714 /nfs/dbraw/zinc/29/37/14/818293714.db2.gz CZZHDAPMVKCMCL-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC001232248894 818293716 /nfs/dbraw/zinc/29/37/16/818293716.db2.gz CZZHDAPMVKCMCL-CALCHBBNSA-N 2 1 295.430 3.008 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(C)cc2C)CC1 ZINC001233009422 818501004 /nfs/dbraw/zinc/50/10/04/818501004.db2.gz UWSTYISLOSPGKV-UHFFFAOYSA-N 2 1 289.467 3.395 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(C)cc2C)CC1 ZINC001233009422 818501008 /nfs/dbraw/zinc/50/10/08/818501008.db2.gz UWSTYISLOSPGKV-UHFFFAOYSA-N 2 1 289.467 3.395 20 0 CGADMP Cc1cc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)sn1 ZINC001233313967 818574133 /nfs/dbraw/zinc/57/41/33/818574133.db2.gz ZAIZPZNMIIKKRT-UHFFFAOYSA-N 2 1 293.480 3.290 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2cccnc2s1 ZINC001233349650 818594490 /nfs/dbraw/zinc/59/44/90/818594490.db2.gz BPWZVVNCXQKLAV-UHFFFAOYSA-N 2 1 291.464 3.460 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235029993 818982502 /nfs/dbraw/zinc/98/25/02/818982502.db2.gz DEYKKOQVPJXCAQ-XIRDDKMYSA-N 2 1 290.838 3.129 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)o1 ZINC001235034359 818984177 /nfs/dbraw/zinc/98/41/77/818984177.db2.gz WXXYKRCFDUUSCJ-LJQANCHMSA-N 2 1 296.414 3.440 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235034526 818984462 /nfs/dbraw/zinc/98/44/62/818984462.db2.gz ZTFCBJJVVLXUMY-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235034526 818984466 /nfs/dbraw/zinc/98/44/66/818984466.db2.gz ZTFCBJJVVLXUMY-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP COc1ccc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235037218 818986552 /nfs/dbraw/zinc/98/65/52/818986552.db2.gz FGVGRVAKAJUVHX-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP Fc1cccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042554 818987784 /nfs/dbraw/zinc/98/77/84/818987784.db2.gz XPUZQSDXAMFPOG-GOSISDBHSA-N 2 1 290.426 3.366 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1)c1ccccc1 ZINC001235039715 818988523 /nfs/dbraw/zinc/98/85/23/818988523.db2.gz HKXDJWXBGCWOLR-WMZOPIPTSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1cccc(F)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235039662 818988600 /nfs/dbraw/zinc/98/86/00/818988600.db2.gz PCXOCOXLLZPSGI-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235039662 818988607 /nfs/dbraw/zinc/98/86/07/818988607.db2.gz PCXOCOXLLZPSGI-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC12CC[NH2+]CC2 ZINC001235102454 819002587 /nfs/dbraw/zinc/00/25/87/819002587.db2.gz NFXBRXHAMWLPFG-UHFFFAOYSA-N 2 1 288.479 3.421 20 0 CGADMP C[C@H](CC[NH+]1CCC2(CC[NH2+]2)CC1)CC(C)(C)C ZINC001235106362 819004021 /nfs/dbraw/zinc/00/40/21/819004021.db2.gz LNBNLYBTDBAJFN-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)cc1Cl ZINC001235144393 819014997 /nfs/dbraw/zinc/01/49/97/819014997.db2.gz KRFLZIRFMLHVJY-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1Cl ZINC001235144393 819015000 /nfs/dbraw/zinc/01/50/00/819015000.db2.gz KRFLZIRFMLHVJY-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1F ZINC001235158064 819019403 /nfs/dbraw/zinc/01/94/03/819019403.db2.gz UDDLKVIFRINPQS-SFHVURJKSA-N 2 1 290.426 3.488 20 0 CGADMP c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170718 819022656 /nfs/dbraw/zinc/02/26/56/819022656.db2.gz GDVBJVPSMPEYCK-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170718 819022660 /nfs/dbraw/zinc/02/26/60/819022660.db2.gz GDVBJVPSMPEYCK-SFHVURJKSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2ccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)cc2[nH]1 ZINC001235170278 819022679 /nfs/dbraw/zinc/02/26/79/819022679.db2.gz DLMLGTMZPZVPBH-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)cc2[nH]1 ZINC001235170278 819022683 /nfs/dbraw/zinc/02/26/83/819022683.db2.gz DLMLGTMZPZVPBH-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)ccc2[nH]1 ZINC001235170341 819023314 /nfs/dbraw/zinc/02/33/14/819023314.db2.gz FOCDPKKQNGHCOT-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)ccc2[nH]1 ZINC001235170341 819023323 /nfs/dbraw/zinc/02/33/23/819023323.db2.gz FOCDPKKQNGHCOT-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235187889 819027283 /nfs/dbraw/zinc/02/72/83/819027283.db2.gz GUGAEWWOLJBLQC-ZYSHUDEJSA-N 2 1 286.463 3.282 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235187889 819027291 /nfs/dbraw/zinc/02/72/91/819027291.db2.gz GUGAEWWOLJBLQC-ZYSHUDEJSA-N 2 1 286.463 3.282 20 0 CGADMP Clc1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235187142 819028069 /nfs/dbraw/zinc/02/80/69/819028069.db2.gz RZCVNFSOPBXGET-OLZOCXBDSA-N 2 1 299.245 3.077 20 0 CGADMP Clc1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235187142 819028074 /nfs/dbraw/zinc/02/80/74/819028074.db2.gz RZCVNFSOPBXGET-OLZOCXBDSA-N 2 1 299.245 3.077 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191401 819031313 /nfs/dbraw/zinc/03/13/13/819031313.db2.gz SZZREBQLBYXJSO-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191401 819031317 /nfs/dbraw/zinc/03/13/17/819031317.db2.gz SZZREBQLBYXJSO-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC001235193855 819031902 /nfs/dbraw/zinc/03/19/02/819031902.db2.gz QXMLXJNGUDOYGS-ZIAGYGMSSA-N 2 1 278.465 3.132 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1C ZINC001235194382 819032013 /nfs/dbraw/zinc/03/20/13/819032013.db2.gz URIDGDHXKPAVLW-QZTJIDSGSA-N 2 1 286.463 3.270 20 0 CGADMP c1c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001235224506 819040297 /nfs/dbraw/zinc/04/02/97/819040297.db2.gz NDIMXFFXQBLVFA-JSGCOSHPSA-N 2 1 276.449 3.016 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235254048 819052167 /nfs/dbraw/zinc/05/21/67/819052167.db2.gz AQBDDZUFJYLKHZ-PBHICJAKSA-N 2 1 292.382 3.380 20 0 CGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235254048 819052172 /nfs/dbraw/zinc/05/21/72/819052172.db2.gz AQBDDZUFJYLKHZ-PBHICJAKSA-N 2 1 292.382 3.380 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235273366 819059073 /nfs/dbraw/zinc/05/90/73/819059073.db2.gz RNDYUVDTCPAWHH-HIFRSBDPSA-N 2 1 286.444 3.394 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccccc3Oc3ccc(F)cc3)C[C@@H]12 ZINC001235285487 819061321 /nfs/dbraw/zinc/06/13/21/819061321.db2.gz SGMIVCXJBKZFCK-ALXJQNPVSA-N 2 1 298.361 3.007 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccccc3Oc3ccc(F)cc3)C[C@@H]12 ZINC001235285487 819061327 /nfs/dbraw/zinc/06/13/27/819061327.db2.gz SGMIVCXJBKZFCK-ALXJQNPVSA-N 2 1 298.361 3.007 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235338479 819071062 /nfs/dbraw/zinc/07/10/62/819071062.db2.gz PEDFXONAYGIJGI-NVXWUHKLSA-N 2 1 294.442 3.485 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235338382 819071142 /nfs/dbraw/zinc/07/11/42/819071142.db2.gz OCXORQXVFZVYMW-ABCZVMIZSA-N 2 1 250.430 3.054 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342117 819072088 /nfs/dbraw/zinc/07/20/88/819072088.db2.gz SUEMWJZIIBDPQT-MJSXRHKHSA-N 2 1 264.457 3.444 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340077 819072649 /nfs/dbraw/zinc/07/26/49/819072649.db2.gz HHJPCTTYQRFUGM-ZDUSSCGKSA-N 2 1 286.444 3.251 20 0 CGADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235406901 819088139 /nfs/dbraw/zinc/08/81/39/819088139.db2.gz RITROZPYWVXYRQ-ZWKOTPCHSA-N 2 1 288.410 3.088 20 0 CGADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235423490 819092822 /nfs/dbraw/zinc/09/28/22/819092822.db2.gz GUGQUFJXRMVHNW-JKSUJKDBSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235426641 819093425 /nfs/dbraw/zinc/09/34/25/819093425.db2.gz OWUZLSRNMPDSGB-IRXDYDNUSA-N 2 1 290.451 3.232 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c1)CCC2 ZINC001235430121 819094124 /nfs/dbraw/zinc/09/41/24/819094124.db2.gz FBOFZZSTBIOIDF-ZWKOTPCHSA-N 2 1 298.474 3.387 20 0 CGADMP Cc1sccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428969 819094488 /nfs/dbraw/zinc/09/44/88/819094488.db2.gz SCAIJKMXODWACE-HOCLYGCPSA-N 2 1 278.465 3.268 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)CC1CC[NH2+]CC1 ZINC001235433568 819095492 /nfs/dbraw/zinc/09/54/92/819095492.db2.gz MQFPHENWCCKYPN-UHFFFAOYSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC001235433596 819096410 /nfs/dbraw/zinc/09/64/10/819096410.db2.gz HDPCMMBKWYDKMR-WBVHZDCISA-N 2 1 292.854 3.375 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCC[NH3+] ZINC001235435301 819098201 /nfs/dbraw/zinc/09/82/01/819098201.db2.gz HVHQVHWJLXTYJD-OAHLLOKOSA-N 2 1 276.468 3.443 20 0 CGADMP CCC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001235663773 819131912 /nfs/dbraw/zinc/13/19/12/819131912.db2.gz UHAIVIXQTMJTNL-INIZCTEOSA-N 2 1 276.424 3.013 20 0 CGADMP CCC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001235663773 819131915 /nfs/dbraw/zinc/13/19/15/819131915.db2.gz UHAIVIXQTMJTNL-INIZCTEOSA-N 2 1 276.424 3.013 20 0 CGADMP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1cccc2ccccc21 ZINC001235662682 819132219 /nfs/dbraw/zinc/13/22/19/819132219.db2.gz LNJWRWSQPXBOSU-KRWDZBQOSA-N 2 1 298.430 3.386 20 0 CGADMP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1cccc2ccccc21 ZINC001235662682 819132225 /nfs/dbraw/zinc/13/22/25/819132225.db2.gz LNJWRWSQPXBOSU-KRWDZBQOSA-N 2 1 298.430 3.386 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)CCCc1ccccc1 ZINC001235669842 819133911 /nfs/dbraw/zinc/13/39/11/819133911.db2.gz KXJAEPUIGBTFFE-ZBFHGGJFSA-N 2 1 296.405 3.042 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)CCCc1ccccc1 ZINC001235669842 819133915 /nfs/dbraw/zinc/13/39/15/819133915.db2.gz KXJAEPUIGBTFFE-ZBFHGGJFSA-N 2 1 296.405 3.042 20 0 CGADMP Cc1ccccc1O[C@H]1CC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001235676081 819136432 /nfs/dbraw/zinc/13/64/32/819136432.db2.gz VDFZVIRYZOAPQD-SFHVURJKSA-N 2 1 296.414 3.107 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1Cl ZINC001235676983 819137547 /nfs/dbraw/zinc/13/75/47/819137547.db2.gz VDYGAGAAEBNQOQ-ZDUSSCGKSA-N 2 1 266.816 3.073 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1Cl ZINC001235676983 819137550 /nfs/dbraw/zinc/13/75/50/819137550.db2.gz VDYGAGAAEBNQOQ-ZDUSSCGKSA-N 2 1 266.816 3.073 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC001235677332 819138702 /nfs/dbraw/zinc/13/87/02/819138702.db2.gz ZSIFJCIDMQFJDT-CYBMUJFWSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC001235677332 819138705 /nfs/dbraw/zinc/13/87/05/819138705.db2.gz ZSIFJCIDMQFJDT-CYBMUJFWSA-N 2 1 266.816 3.128 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710847 819146737 /nfs/dbraw/zinc/14/67/37/819146737.db2.gz HZCVPWYVURYTDJ-UHFFFAOYSA-N 2 1 250.430 3.032 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235710831 819147022 /nfs/dbraw/zinc/14/70/22/819147022.db2.gz GZJALMGAWGREHE-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235710831 819147023 /nfs/dbraw/zinc/14/70/23/819147023.db2.gz GZJALMGAWGREHE-UHFFFAOYSA-N 2 1 272.436 3.170 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235713427 819148272 /nfs/dbraw/zinc/14/82/72/819148272.db2.gz AAALPCPWJYBRKS-MRXNPFEDSA-N 2 1 288.435 3.222 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCCC3(C[NH2+]C3)C2)C1(C)C ZINC001235712038 819148761 /nfs/dbraw/zinc/14/87/61/819148761.db2.gz YGUBATBWMNUUBW-OAHLLOKOSA-N 2 1 262.441 3.054 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001235724739 819153513 /nfs/dbraw/zinc/15/35/13/819153513.db2.gz HYOQUVBAMHWYAA-KRWDZBQOSA-N 2 1 266.388 3.277 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001235724739 819153518 /nfs/dbraw/zinc/15/35/18/819153518.db2.gz HYOQUVBAMHWYAA-KRWDZBQOSA-N 2 1 266.388 3.277 20 0 CGADMP CCCc1ccc(C[NH+]2CCC([NH2+]CC)CC2)cc1 ZINC001235726983 819155183 /nfs/dbraw/zinc/15/51/83/819155183.db2.gz UKFQWURNQNTLKR-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP Fc1cc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC001235884112 819195852 /nfs/dbraw/zinc/19/58/52/819195852.db2.gz VBFTUGAGQIVDSX-MRXNPFEDSA-N 2 1 298.352 3.068 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc(C)c1Cl ZINC001235926287 819226416 /nfs/dbraw/zinc/22/64/16/819226416.db2.gz WMZDBNGQGDQFOL-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001235927921 819226561 /nfs/dbraw/zinc/22/65/61/819226561.db2.gz OXLDPSKHTHAUPP-CYBMUJFWSA-N 2 1 264.438 3.158 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929319 819227232 /nfs/dbraw/zinc/22/72/32/819227232.db2.gz LPJLBUJWTOPQEH-ULQDDVLXSA-N 2 1 296.499 3.149 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235934389 819230304 /nfs/dbraw/zinc/23/03/04/819230304.db2.gz MZZAPRKNIBRQNF-HOCLYGCPSA-N 2 1 276.399 3.005 20 0 CGADMP c1cc(-c2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)cs1 ZINC001235934653 819230958 /nfs/dbraw/zinc/23/09/58/819230958.db2.gz CHIFJVWHGCDSKT-WMZOPIPTSA-N 2 1 298.455 3.456 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235937560 819232473 /nfs/dbraw/zinc/23/24/73/819232473.db2.gz IUHYDBGEDXGDBK-KGLIPLIRSA-N 2 1 286.444 3.251 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939872 819234622 /nfs/dbraw/zinc/23/46/22/819234622.db2.gz QTRDCJIMVLWYIE-HOTGVXAUSA-N 2 1 298.455 3.456 20 0 CGADMP Clc1ccc2c(c1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001235939423 819234884 /nfs/dbraw/zinc/23/48/84/819234884.db2.gz BVIQHQZUUGNQHU-UHFFFAOYSA-N 2 1 278.827 3.088 20 0 CGADMP COCC[N@@H+](C[C@@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235946757 819236169 /nfs/dbraw/zinc/23/61/69/819236169.db2.gz RSVXLSZTVSWFBH-INIZCTEOSA-N 2 1 282.472 3.069 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+](CC[NH3+])C(C)C ZINC001235948091 819237221 /nfs/dbraw/zinc/23/72/21/819237221.db2.gz IUVUIKWIHXEREW-UHFFFAOYSA-N 2 1 262.422 3.379 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+](CC[NH3+])C(C)C ZINC001235948091 819237225 /nfs/dbraw/zinc/23/72/25/819237225.db2.gz IUVUIKWIHXEREW-UHFFFAOYSA-N 2 1 262.422 3.379 20 0 CGADMP Fc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235949509 819239574 /nfs/dbraw/zinc/23/95/74/819239574.db2.gz NEZAURKKTLYCRC-GOEBONIOSA-N 2 1 276.399 3.005 20 0 CGADMP Clc1cccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235949703 819240133 /nfs/dbraw/zinc/24/01/33/819240133.db2.gz GABVPEPSJYYLIF-UKRRQHHQSA-N 2 1 278.827 3.129 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235951366 819241204 /nfs/dbraw/zinc/24/12/04/819241204.db2.gz RLLGNBPJUWVWAW-CVEARBPZSA-N 2 1 252.446 3.300 20 0 CGADMP C[N@H+](Cc1cccc2c(F)cccc12)C[C@@H]1CCC[NH2+]C1 ZINC001235957435 819245375 /nfs/dbraw/zinc/24/53/75/819245375.db2.gz NWVHGKSUNSSPPM-CQSZACIVSA-N 2 1 286.394 3.410 20 0 CGADMP CCC[N@@H+](CCCC[NH3+])Cc1cccc(Br)c1 ZINC001235962253 819251636 /nfs/dbraw/zinc/25/16/36/819251636.db2.gz JSWOTVLPPUHXNR-UHFFFAOYSA-N 2 1 299.256 3.400 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235963233 819251864 /nfs/dbraw/zinc/25/18/64/819251864.db2.gz RZXOTUQSYNRNNP-VMPITWQZSA-N 2 1 292.426 3.478 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C[NH3+])c1 ZINC001235964101 819252658 /nfs/dbraw/zinc/25/26/58/819252658.db2.gz ZGDCFTIMFHMELP-UHFFFAOYSA-N 2 1 272.367 3.307 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235981664 819259329 /nfs/dbraw/zinc/25/93/29/819259329.db2.gz XDNLBMSVAANFFI-MNEFBYGVSA-N 2 1 286.463 3.412 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235990281 819261636 /nfs/dbraw/zinc/26/16/36/819261636.db2.gz MMXKIDAMDGBJKF-HKUYNNGSSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235990281 819261639 /nfs/dbraw/zinc/26/16/39/819261639.db2.gz MMXKIDAMDGBJKF-HKUYNNGSSA-N 2 1 278.399 3.277 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059497 819292370 /nfs/dbraw/zinc/29/23/70/819292370.db2.gz IWMYPIDXSVMRKX-HFZJXRFXSA-N 2 1 250.430 3.197 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059497 819292378 /nfs/dbraw/zinc/29/23/78/819292378.db2.gz IWMYPIDXSVMRKX-HFZJXRFXSA-N 2 1 250.430 3.197 20 0 CGADMP CC[N@@H+](CCCCC[NH3+])Cc1c(F)cccc1Cl ZINC001236104490 819321970 /nfs/dbraw/zinc/32/19/70/819321970.db2.gz KYLUFZFBCMGTAG-UHFFFAOYSA-N 2 1 272.795 3.430 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC001236125309 819332031 /nfs/dbraw/zinc/33/20/31/819332031.db2.gz VXWZUPDLGUSQHW-SUMWQHHRSA-N 2 1 294.389 3.491 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C(C)(C)Cc1ccccc1 ZINC001236155861 819348327 /nfs/dbraw/zinc/34/83/27/819348327.db2.gz RETABELWXVQZJQ-QGZVFWFLSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@H+](Cc1c(C)cccc1F)C1CC[NH2+]CC1 ZINC001236184767 819359185 /nfs/dbraw/zinc/35/91/85/819359185.db2.gz OCXQVXUCJFEPMR-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP CCC[N@@H+](Cc1c(C)cccc1F)C1CC[NH2+]CC1 ZINC001236184767 819359193 /nfs/dbraw/zinc/35/91/93/819359193.db2.gz OCXQVXUCJFEPMR-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP C[N@@H+](Cc1ccc(O)c2ccccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213131 819376166 /nfs/dbraw/zinc/37/61/66/819376166.db2.gz NQFQLPBRUICISF-DLBZAZTESA-N 2 1 284.403 3.247 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)CCc2cccc(Cl)c2)CC1 ZINC001236213362 819377065 /nfs/dbraw/zinc/37/70/65/819377065.db2.gz QHKQIRGHESDIRT-UHFFFAOYSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215398 819378475 /nfs/dbraw/zinc/37/84/75/819378475.db2.gz HTRUKEUTEWOYTD-SJLPKXTDSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215398 819378484 /nfs/dbraw/zinc/37/84/84/819378484.db2.gz HTRUKEUTEWOYTD-SJLPKXTDSA-N 2 1 283.419 3.179 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)cc(C)cc2OC)CC1 ZINC001236214835 819378519 /nfs/dbraw/zinc/37/85/19/819378519.db2.gz HTEPOMVCAHHMJI-UHFFFAOYSA-N 2 1 294.414 3.105 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(F)c(F)c2C)CC1 ZINC001236216281 819379655 /nfs/dbraw/zinc/37/96/55/819379655.db2.gz WXUGUKHDZDBARD-UHFFFAOYSA-N 2 1 282.378 3.236 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c21 ZINC001236216559 819380028 /nfs/dbraw/zinc/38/00/28/819380028.db2.gz KBVITECBZAVCBM-GDBMZVCRSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c21 ZINC001236216559 819380032 /nfs/dbraw/zinc/38/00/32/819380032.db2.gz KBVITECBZAVCBM-GDBMZVCRSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215858 819380066 /nfs/dbraw/zinc/38/00/66/819380066.db2.gz IQEKDWHYUQBBTG-HOTGVXAUSA-N 2 1 264.388 3.144 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215858 819380073 /nfs/dbraw/zinc/38/00/73/819380073.db2.gz IQEKDWHYUQBBTG-HOTGVXAUSA-N 2 1 264.388 3.144 20 0 CGADMP C[N@@H+](Cc1cccc2ccoc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219234 819385471 /nfs/dbraw/zinc/38/54/71/819385471.db2.gz UWLLBSIYBITOSX-GJZGRUSLSA-N 2 1 258.365 3.135 20 0 CGADMP COc1cccc([C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)c1 ZINC001236336930 819427591 /nfs/dbraw/zinc/42/75/91/819427591.db2.gz XQCHVTLEDOHVPK-KRWDZBQOSA-N 2 1 290.451 3.394 20 0 CGADMP Cc1c[nH]c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1C ZINC001236376574 819442990 /nfs/dbraw/zinc/44/29/90/819442990.db2.gz TYXYNQYNXOOQEE-INIZCTEOSA-N 2 1 289.467 3.376 20 0 CGADMP CC[N@H+](Cc1cccc2[nH]cc(Cl)c21)C[C@@H]1CC[NH2+]C1 ZINC001236408403 819455702 /nfs/dbraw/zinc/45/57/02/819455702.db2.gz LLVBNCGDKZQLCG-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP CC[N@H+](Cc1cccc(Cl)c1C)C[C@H]1CC[NH2+]C1 ZINC001236410667 819457208 /nfs/dbraw/zinc/45/72/08/819457208.db2.gz IVWSLXYUOLELTE-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@@H+](Cc1cc2ccccc2cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236412132 819458916 /nfs/dbraw/zinc/45/89/16/819458916.db2.gz RTKOKFFNJBVSGP-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CC[N@H+](Cc1cc2ccccc2cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236412132 819458919 /nfs/dbraw/zinc/45/89/19/819458919.db2.gz RTKOKFFNJBVSGP-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236417630 819463120 /nfs/dbraw/zinc/46/31/20/819463120.db2.gz CKFKHXJAZLHFHH-RDTXWAMCSA-N 2 1 268.404 3.460 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236421382 819468264 /nfs/dbraw/zinc/46/82/64/819468264.db2.gz QMNSQPOEPSYIEZ-KUHUBIRLSA-N 2 1 297.446 3.217 20 0 CGADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236421382 819468270 /nfs/dbraw/zinc/46/82/70/819468270.db2.gz QMNSQPOEPSYIEZ-KUHUBIRLSA-N 2 1 297.446 3.217 20 0 CGADMP COc1cc(C)[nH+]cc1-c1cccc(C[NH+](C)C)c1 ZINC001236423182 819469938 /nfs/dbraw/zinc/46/99/38/819469938.db2.gz KNPFFFUIHZFYMZ-UHFFFAOYSA-N 2 1 256.349 3.127 20 0 CGADMP Cc1cc(-c2cccc(C[NH+](C)C)c2)cn2cc[nH+]c12 ZINC001236424126 819471524 /nfs/dbraw/zinc/47/15/24/819471524.db2.gz ZZXZTGGJKKEYQV-UHFFFAOYSA-N 2 1 265.360 3.371 20 0 CGADMP c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001236444192 819481535 /nfs/dbraw/zinc/48/15/35/819481535.db2.gz XKACSTFKRXQIAW-MRXNPFEDSA-N 2 1 258.409 3.041 20 0 CGADMP CC(C)[N@H+](Cc1cccc2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001236471112 819491140 /nfs/dbraw/zinc/49/11/40/819491140.db2.gz VOCDXCXWVLBZJL-MRXNPFEDSA-N 2 1 272.392 3.395 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001236471112 819491144 /nfs/dbraw/zinc/49/11/44/819491144.db2.gz VOCDXCXWVLBZJL-MRXNPFEDSA-N 2 1 272.392 3.395 20 0 CGADMP CC(C)[N@H+](Cc1cccc2c1CCC2)[C@@H]1CCC[NH2+]C1 ZINC001236470956 819491438 /nfs/dbraw/zinc/49/14/38/819491438.db2.gz JTVISLSDDPOPRJ-QGZVFWFLSA-N 2 1 272.436 3.138 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2c1CCC2)[C@@H]1CCC[NH2+]C1 ZINC001236470956 819491442 /nfs/dbraw/zinc/49/14/42/819491442.db2.gz JTVISLSDDPOPRJ-QGZVFWFLSA-N 2 1 272.436 3.138 20 0 CGADMP C[C@H]1C[C@H]1C[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502695 819506195 /nfs/dbraw/zinc/50/61/95/819506195.db2.gz WWHXSWSCDIABGI-JSGCOSHPSA-N 2 1 294.389 3.175 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502695 819506200 /nfs/dbraw/zinc/50/62/00/819506200.db2.gz WWHXSWSCDIABGI-JSGCOSHPSA-N 2 1 294.389 3.175 20 0 CGADMP CC(C)CCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553270 819535459 /nfs/dbraw/zinc/53/54/59/819535459.db2.gz VQIVSXLADXNXRI-WKILWMFISA-N 2 1 252.446 3.405 20 0 CGADMP Nc1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236576292 819541833 /nfs/dbraw/zinc/54/18/33/819541833.db2.gz HRLMCAMIRFJBQD-CTYIDZIISA-N 2 1 291.414 3.032 20 0 CGADMP Cc1c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc(F)c1F ZINC001236601602 819550907 /nfs/dbraw/zinc/55/09/07/819550907.db2.gz NMUWLTHVFTZSEV-ZDUSSCGKSA-N 2 1 294.389 3.237 20 0 CGADMP Cc1c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc(F)c1F ZINC001236601602 819550910 /nfs/dbraw/zinc/55/09/10/819550910.db2.gz NMUWLTHVFTZSEV-ZDUSSCGKSA-N 2 1 294.389 3.237 20 0 CGADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681958 819569880 /nfs/dbraw/zinc/56/98/80/819569880.db2.gz MEVACOYTRLIGAM-RANZSIQMSA-N 2 1 272.436 3.415 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2CCCO2)CC2CCCCC2)CC1 ZINC001236754430 819590507 /nfs/dbraw/zinc/59/05/07/819590507.db2.gz GNGCVJTUOYTPNS-KZNAEPCWSA-N 2 1 294.483 3.318 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236827472 819609985 /nfs/dbraw/zinc/60/99/85/819609985.db2.gz GBBDLHAOJJUNOR-RCBQFDQVSA-N 2 1 286.444 3.379 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C)c1Cl ZINC001236833121 819612159 /nfs/dbraw/zinc/61/21/59/819612159.db2.gz YRVFXNHVNRPJRL-SOUVJXGZSA-N 2 1 278.827 3.126 20 0 CGADMP CCC[N@@H+](CC[C@H](C)c1ccc(C)o1)C[C@H]1CC[NH2+]C1 ZINC001236829905 819612274 /nfs/dbraw/zinc/61/22/74/819612274.db2.gz LMKNHNHREGJUTP-HOCLYGCPSA-N 2 1 278.440 3.403 20 0 CGADMP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC001236854397 819623424 /nfs/dbraw/zinc/62/34/24/819623424.db2.gz RHJNFCWMLUIKJO-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP C[N@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)CC1CC1 ZINC001236902486 819635631 /nfs/dbraw/zinc/63/56/31/819635631.db2.gz FOIRFIDEVQHGIP-UHFFFAOYSA-N 2 1 275.783 3.368 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001237059835 819656063 /nfs/dbraw/zinc/65/60/63/819656063.db2.gz WAGGPJNXVXVNTC-SFHVURJKSA-N 2 1 283.419 3.038 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(C)c1C ZINC001237059314 819657033 /nfs/dbraw/zinc/65/70/33/819657033.db2.gz SOGFWDNLXJSQKV-SFHVURJKSA-N 2 1 290.451 3.181 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC001237060237 819657382 /nfs/dbraw/zinc/65/73/82/819657382.db2.gz YTVWCZYGJOUPJF-SFHVURJKSA-N 2 1 274.452 3.415 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237081342 819662070 /nfs/dbraw/zinc/66/20/70/819662070.db2.gz LDOAQYWVCPTHKI-GOSISDBHSA-N 2 1 290.451 3.343 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)ccc1OC(C)C ZINC001237083891 819663549 /nfs/dbraw/zinc/66/35/49/819663549.db2.gz ZVLDTPJENOHHGY-GOSISDBHSA-N 2 1 290.451 3.343 20 0 CGADMP C[C@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237204267 819698114 /nfs/dbraw/zinc/69/81/14/819698114.db2.gz MHBBCOXEPBLNCT-UONOGXRCSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001237204267 819698118 /nfs/dbraw/zinc/69/81/18/819698118.db2.gz MHBBCOXEPBLNCT-UONOGXRCSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237204267 819698123 /nfs/dbraw/zinc/69/81/23/819698123.db2.gz MHBBCOXEPBLNCT-UONOGXRCSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001237258819 819710837 /nfs/dbraw/zinc/71/08/37/819710837.db2.gz OSKCRHPGULCWQT-KCXAZCMYSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001237258819 819710845 /nfs/dbraw/zinc/71/08/45/819710845.db2.gz OSKCRHPGULCWQT-KCXAZCMYSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001237258819 819710852 /nfs/dbraw/zinc/71/08/52/819710852.db2.gz OSKCRHPGULCWQT-KCXAZCMYSA-N 2 1 294.389 3.097 20 0 CGADMP Cc1ccc2nc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237393928 819742212 /nfs/dbraw/zinc/74/22/12/819742212.db2.gz UKPFNLGKDRIDHN-WMZOPIPTSA-N 2 1 295.430 3.117 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC001237393928 819742217 /nfs/dbraw/zinc/74/22/17/819742217.db2.gz UKPFNLGKDRIDHN-WMZOPIPTSA-N 2 1 295.430 3.117 20 0 CGADMP FC(F)c1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237394830 819743229 /nfs/dbraw/zinc/74/32/29/819743229.db2.gz WHWXNUNJEOWUNR-ZFWWWQNUSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237394830 819743231 /nfs/dbraw/zinc/74/32/31/819743231.db2.gz WHWXNUNJEOWUNR-ZFWWWQNUSA-N 2 1 280.362 3.198 20 0 CGADMP CSc1cc(C)cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412393 819746572 /nfs/dbraw/zinc/74/65/72/819746572.db2.gz IHNLXKRCJLBTLN-NVXWUHKLSA-N 2 1 290.476 3.291 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237412393 819746577 /nfs/dbraw/zinc/74/65/77/819746577.db2.gz IHNLXKRCJLBTLN-NVXWUHKLSA-N 2 1 290.476 3.291 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2occc21 ZINC001237418345 819749424 /nfs/dbraw/zinc/74/94/24/819749424.db2.gz YDZYPNNMZXPCSN-MLGOLLRUSA-N 2 1 288.366 3.146 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2occc21 ZINC001237418345 819749431 /nfs/dbraw/zinc/74/94/31/819749431.db2.gz YDZYPNNMZXPCSN-MLGOLLRUSA-N 2 1 288.366 3.146 20 0 CGADMP Cc1cc(C)c(Cl)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001237702208 819813568 /nfs/dbraw/zinc/81/35/68/819813568.db2.gz PNKRVDCBTJQDBC-KRWDZBQOSA-N 2 1 292.854 3.484 20 0 CGADMP CCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1C ZINC001238072325 819924345 /nfs/dbraw/zinc/92/43/45/819924345.db2.gz RXCHARRUWQNOGL-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1C ZINC001238072325 819924352 /nfs/dbraw/zinc/92/43/52/819924352.db2.gz RXCHARRUWQNOGL-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)Cc1cccc2c[nH+]cn21 ZINC001238104968 819936074 /nfs/dbraw/zinc/93/60/74/819936074.db2.gz BFCWGRAGKAILFH-UHFFFAOYSA-N 2 1 283.350 3.148 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001238113014 819937473 /nfs/dbraw/zinc/93/74/73/819937473.db2.gz HFTUHVLDEQBYEW-QGZVFWFLSA-N 2 1 291.398 3.399 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001238113014 819937477 /nfs/dbraw/zinc/93/74/77/819937477.db2.gz HFTUHVLDEQBYEW-QGZVFWFLSA-N 2 1 291.398 3.399 20 0 CGADMP CCOc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001239563993 820415290 /nfs/dbraw/zinc/41/52/90/820415290.db2.gz ZFKRVPJAMNZVKK-UHFFFAOYSA-N 2 1 293.370 3.087 20 0 CGADMP c1cc2cc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc2[nH]1 ZINC001239694765 820526045 /nfs/dbraw/zinc/52/60/45/820526045.db2.gz DPWXJWABZAHECI-UHFFFAOYSA-N 2 1 288.354 3.169 20 0 CGADMP Cc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1F ZINC001239821502 820636451 /nfs/dbraw/zinc/63/64/51/820636451.db2.gz OZCQFQMRCPISCY-UHFFFAOYSA-N 2 1 281.334 3.136 20 0 CGADMP C[N@@H+]1CC=C(c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001241319602 821728974 /nfs/dbraw/zinc/72/89/74/821728974.db2.gz NRHWXQNUEMKCIQ-UHFFFAOYSA-N 2 1 270.420 3.391 20 0 CGADMP [NH3+]CCc1cccc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241505089 821906465 /nfs/dbraw/zinc/90/64/65/821906465.db2.gz NDHXOFCBWBYYIS-UHFFFAOYSA-N 2 1 292.426 3.477 20 0 CGADMP C=Cc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001241957337 822245619 /nfs/dbraw/zinc/24/56/19/822245619.db2.gz XANDJNDSNZXDBQ-UHFFFAOYSA-N 2 1 275.355 3.331 20 0 CGADMP C=Cc1ccccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242008696 822272330 /nfs/dbraw/zinc/27/23/30/822272330.db2.gz YSUOVZLQCRIEKY-UHFFFAOYSA-N 2 1 275.355 3.331 20 0 CGADMP C(=C/c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)\Cc1ccccc1 ZINC001242140525 822891007 /nfs/dbraw/zinc/89/10/07/822891007.db2.gz IPKLABGZIDJLNZ-XBXARRHUSA-N 2 1 289.382 3.277 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001342709878 936476220 /nfs/dbraw/zinc/47/62/20/936476220.db2.gz NSLDDVMELMIWMJ-VNQPRFMTSA-N 2 1 252.446 3.418 20 0 CGADMP c1ccc2c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)ccnc2c1 ZINC001345956306 936831080 /nfs/dbraw/zinc/83/10/80/936831080.db2.gz PCYLHTAIGXPPCX-UHFFFAOYSA-N 2 1 295.430 3.200 20 0 CGADMP CCC1([NH+]2CCC2)CC[NH+](CCCC(F)(F)F)CC1 ZINC001355292345 937134587 /nfs/dbraw/zinc/13/45/87/937134587.db2.gz QACOHXCKWULLLQ-UHFFFAOYSA-N 2 1 278.362 3.279 20 0 CGADMP C[C@H]([NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCCC1 ZINC001559902574 937211027 /nfs/dbraw/zinc/21/10/27/937211027.db2.gz AAHWPTABWZBUBH-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)Nc1cc(CC)nc(CC)n1 ZINC001458499880 937466184 /nfs/dbraw/zinc/46/61/84/937466184.db2.gz QVCSLFXPHMDNMY-UHFFFAOYSA-N 2 1 278.444 3.134 20 0 CGADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3CCCCC3(C)C)C[C@@]2(C)C1 ZINC001460557961 937534896 /nfs/dbraw/zinc/53/48/96/937534896.db2.gz DWYAAUOIVPXLKK-CGTJXYLNSA-N 2 1 278.484 3.476 20 0 CGADMP CCCc1ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC001460657900 937538498 /nfs/dbraw/zinc/53/84/98/937538498.db2.gz ZDMIKZLXYQMQEZ-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC001460657900 937538500 /nfs/dbraw/zinc/53/85/00/937538500.db2.gz ZDMIKZLXYQMQEZ-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC001460657900 937538501 /nfs/dbraw/zinc/53/85/01/937538501.db2.gz ZDMIKZLXYQMQEZ-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC001460657900 937538503 /nfs/dbraw/zinc/53/85/03/937538503.db2.gz ZDMIKZLXYQMQEZ-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC001460657900 937538504 /nfs/dbraw/zinc/53/85/04/937538504.db2.gz ZDMIKZLXYQMQEZ-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(CC(C)C)s2)C1 ZINC000162184478 931965407 /nfs/dbraw/zinc/96/54/07/931965407.db2.gz JNKOFAONGCTLEE-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(CC(C)C)s2)C1 ZINC000162184478 931965415 /nfs/dbraw/zinc/96/54/15/931965415.db2.gz JNKOFAONGCTLEE-CQSZACIVSA-N 2 1 295.496 3.163 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(CC)CC2)C1 ZINC000098173265 931996071 /nfs/dbraw/zinc/99/60/71/931996071.db2.gz VMCPXNFUNHCMCJ-PCKAHOCUSA-N 2 1 252.446 3.277 20 0 CGADMP c1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218503 932006272 /nfs/dbraw/zinc/00/62/72/932006272.db2.gz CJPLEQGDAAATEI-LJQANCHMSA-N 2 1 295.430 3.113 20 0 CGADMP c1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218503 932006276 /nfs/dbraw/zinc/00/62/76/932006276.db2.gz CJPLEQGDAAATEI-LJQANCHMSA-N 2 1 295.430 3.113 20 0 CGADMP c1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218503 932006281 /nfs/dbraw/zinc/00/62/81/932006281.db2.gz CJPLEQGDAAATEI-LJQANCHMSA-N 2 1 295.430 3.113 20 0 CGADMP c1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218503 932006287 /nfs/dbraw/zinc/00/62/87/932006287.db2.gz CJPLEQGDAAATEI-LJQANCHMSA-N 2 1 295.430 3.113 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461268706 937573451 /nfs/dbraw/zinc/57/34/51/937573451.db2.gz OBGWUFCKEVPDOV-SFHVURJKSA-N 2 1 274.452 3.256 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001461268706 937573453 /nfs/dbraw/zinc/57/34/53/937573453.db2.gz OBGWUFCKEVPDOV-SFHVURJKSA-N 2 1 274.452 3.256 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001461424297 937580372 /nfs/dbraw/zinc/58/03/72/937580372.db2.gz NLAWIGMHLIVBPU-VNHYZAJKSA-N 2 1 261.413 3.062 20 0 CGADMP CCC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001461899671 937605239 /nfs/dbraw/zinc/60/52/39/937605239.db2.gz OTZYOWJWVAGYCD-QZTJIDSGSA-N 2 1 296.499 3.245 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001462199342 937625017 /nfs/dbraw/zinc/62/50/17/937625017.db2.gz HLQPZDPHFNENJV-LRDDRELGSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001462199342 937625019 /nfs/dbraw/zinc/62/50/19/937625019.db2.gz HLQPZDPHFNENJV-LRDDRELGSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC001462199342 937625021 /nfs/dbraw/zinc/62/50/21/937625021.db2.gz HLQPZDPHFNENJV-LRDDRELGSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC001462199342 937625022 /nfs/dbraw/zinc/62/50/22/937625022.db2.gz HLQPZDPHFNENJV-LRDDRELGSA-N 2 1 280.843 3.420 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](CC(C)C)C2CCOCC2)C1 ZINC001333148748 932755883 /nfs/dbraw/zinc/75/58/83/932755883.db2.gz AAXVJEAGFNWOCU-AEFFLSMTSA-N 2 1 296.499 3.149 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC001462302723 937631256 /nfs/dbraw/zinc/63/12/56/937631256.db2.gz AWDPIPHFFSTZJV-JYJNAYRXSA-N 2 1 284.488 3.289 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC001462302723 937631258 /nfs/dbraw/zinc/63/12/58/937631258.db2.gz AWDPIPHFFSTZJV-JYJNAYRXSA-N 2 1 284.488 3.289 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462442863 937641826 /nfs/dbraw/zinc/64/18/26/937641826.db2.gz QHCZJFSZTUWVLN-BHYGNILZSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462442863 937641828 /nfs/dbraw/zinc/64/18/28/937641828.db2.gz QHCZJFSZTUWVLN-BHYGNILZSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](Cc1cccs1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001307522181 932965359 /nfs/dbraw/zinc/96/53/59/932965359.db2.gz WCUSGBUESMKLOG-OAHLLOKOSA-N 2 1 280.481 3.487 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC2CCC1CC2 ZINC001307595573 932974845 /nfs/dbraw/zinc/97/48/45/932974845.db2.gz QMLJNJWILHMSAM-JCYILVPMSA-N 2 1 275.440 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC2CCC1CC2 ZINC001307595573 932974848 /nfs/dbraw/zinc/97/48/48/932974848.db2.gz QMLJNJWILHMSAM-JCYILVPMSA-N 2 1 275.440 3.340 20 0 CGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C)c(F)c1 ZINC001307639858 932978995 /nfs/dbraw/zinc/97/89/95/932978995.db2.gz SCBAKFBDNYOHBX-INIZCTEOSA-N 2 1 275.371 3.151 20 0 CGADMP CC(C)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001462519503 937646725 /nfs/dbraw/zinc/64/67/25/937646725.db2.gz QWSQOWINPKZJAG-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001462519503 937646726 /nfs/dbraw/zinc/64/67/26/937646726.db2.gz QWSQOWINPKZJAG-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001307733917 932994583 /nfs/dbraw/zinc/99/45/83/932994583.db2.gz HNGVBTAQGHNGAY-PBWTXFEYSA-N 2 1 286.463 3.485 20 0 CGADMP CC[C@H](C)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307733917 932994586 /nfs/dbraw/zinc/99/45/86/932994586.db2.gz HNGVBTAQGHNGAY-PBWTXFEYSA-N 2 1 286.463 3.485 20 0 CGADMP CC[C@H](C)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001307733917 932994587 /nfs/dbraw/zinc/99/45/87/932994587.db2.gz HNGVBTAQGHNGAY-PBWTXFEYSA-N 2 1 286.463 3.485 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC001308233996 933076898 /nfs/dbraw/zinc/07/68/98/933076898.db2.gz MLQGAWJXABSJEC-LLVKDONJSA-N 2 1 264.344 3.002 20 0 CGADMP CC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001308261049 933083560 /nfs/dbraw/zinc/08/35/60/933083560.db2.gz PNMLJQPAUVUKCM-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001462651639 937656760 /nfs/dbraw/zinc/65/67/60/937656760.db2.gz ASCSISJGYLYLDQ-GBESFXJTSA-N 2 1 286.463 3.411 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001308399881 933106477 /nfs/dbraw/zinc/10/64/77/933106477.db2.gz RAZOCAIQTIRZMO-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001308399881 933106478 /nfs/dbraw/zinc/10/64/78/933106478.db2.gz RAZOCAIQTIRZMO-YESZJQIVSA-N 2 1 264.457 3.443 20 0 CGADMP CCNc1ccccc1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC001308601597 933140471 /nfs/dbraw/zinc/14/04/71/933140471.db2.gz UYGZHDJCNVBWFO-ZBFHGGJFSA-N 2 1 275.440 3.033 20 0 CGADMP CCNc1ccccc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001308601597 933140476 /nfs/dbraw/zinc/14/04/76/933140476.db2.gz UYGZHDJCNVBWFO-ZBFHGGJFSA-N 2 1 275.440 3.033 20 0 CGADMP CCNc1ccccc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001308601597 933140482 /nfs/dbraw/zinc/14/04/82/933140482.db2.gz UYGZHDJCNVBWFO-ZBFHGGJFSA-N 2 1 275.440 3.033 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC001308751461 933169816 /nfs/dbraw/zinc/16/98/16/933169816.db2.gz RQFPIPAEMGYDSP-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC001308751461 933169820 /nfs/dbraw/zinc/16/98/20/933169820.db2.gz RQFPIPAEMGYDSP-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(F)c1 ZINC001308748649 933170307 /nfs/dbraw/zinc/17/03/07/933170307.db2.gz VLYYNKHABBEERQ-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(F)c1 ZINC001308748649 933170309 /nfs/dbraw/zinc/17/03/09/933170309.db2.gz VLYYNKHABBEERQ-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(F)c1 ZINC001308748649 933170314 /nfs/dbraw/zinc/17/03/14/933170314.db2.gz VLYYNKHABBEERQ-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(F)c1 ZINC001308748649 933170317 /nfs/dbraw/zinc/17/03/17/933170317.db2.gz VLYYNKHABBEERQ-DOTOQJQBSA-N 2 1 276.399 3.050 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001308750170 933170611 /nfs/dbraw/zinc/17/06/11/933170611.db2.gz JNJVMAFLXUZANU-BBWFWOEESA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001308750170 933170613 /nfs/dbraw/zinc/17/06/13/933170613.db2.gz JNJVMAFLXUZANU-BBWFWOEESA-N 2 1 264.457 3.419 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001308814267 933181803 /nfs/dbraw/zinc/18/18/03/933181803.db2.gz AJNCPOIJZLHFTF-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001308814267 933181808 /nfs/dbraw/zinc/18/18/08/933181808.db2.gz AJNCPOIJZLHFTF-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001308850247 933189345 /nfs/dbraw/zinc/18/93/45/933189345.db2.gz ZZIIGHQPXJOSRF-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001308960784 933214591 /nfs/dbraw/zinc/21/45/91/933214591.db2.gz NFPOYKFBNGHPHY-JQHSSLGASA-N 2 1 272.436 3.064 20 0 CGADMP CC[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001308960784 933214594 /nfs/dbraw/zinc/21/45/94/933214594.db2.gz NFPOYKFBNGHPHY-JQHSSLGASA-N 2 1 272.436 3.064 20 0 CGADMP CC[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001308960784 933214601 /nfs/dbraw/zinc/21/46/01/933214601.db2.gz NFPOYKFBNGHPHY-JQHSSLGASA-N 2 1 272.436 3.064 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC001308980671 933220247 /nfs/dbraw/zinc/22/02/47/933220247.db2.gz ATUQAUJYCRTIQL-WBVHZDCISA-N 2 1 278.440 3.084 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)[C@H]2C1 ZINC001308985246 933222653 /nfs/dbraw/zinc/22/26/53/933222653.db2.gz YQKWLMBMUYYLNK-WJWMFLMHSA-N 2 1 276.468 3.275 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001319284865 933852610 /nfs/dbraw/zinc/85/26/10/933852610.db2.gz YXDFFDUNGWPKII-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001319284865 933852616 /nfs/dbraw/zinc/85/26/16/933852616.db2.gz YXDFFDUNGWPKII-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294236 933853939 /nfs/dbraw/zinc/85/39/39/933853939.db2.gz PPKINIWNRAJTTA-FSPWUOQZSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294236 933853951 /nfs/dbraw/zinc/85/39/51/933853951.db2.gz PPKINIWNRAJTTA-FSPWUOQZSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294236 933853957 /nfs/dbraw/zinc/85/39/57/933853957.db2.gz PPKINIWNRAJTTA-FSPWUOQZSA-N 2 1 288.410 3.229 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@H](C)C1 ZINC001319377239 933865395 /nfs/dbraw/zinc/86/53/95/933865395.db2.gz LLARNZPTPXZTGT-AEFFLSMTSA-N 2 1 290.451 3.166 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(F)cc2F)C1 ZINC001319990021 933974322 /nfs/dbraw/zinc/97/43/22/933974322.db2.gz VZFXGHRNHWLNLY-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(F)cc2F)C1 ZINC001319990021 933974328 /nfs/dbraw/zinc/97/43/28/933974328.db2.gz VZFXGHRNHWLNLY-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001319990021 933974333 /nfs/dbraw/zinc/97/43/33/933974333.db2.gz VZFXGHRNHWLNLY-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001319990021 933974342 /nfs/dbraw/zinc/97/43/42/933974342.db2.gz VZFXGHRNHWLNLY-CQSZACIVSA-N 2 1 296.405 3.171 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001320290208 934025583 /nfs/dbraw/zinc/02/55/83/934025583.db2.gz UMIXNWKZSHPQDA-JLSDUUJJSA-N 2 1 290.451 3.176 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2cccc(F)c2F)C1 ZINC001324929564 934874733 /nfs/dbraw/zinc/87/47/33/934874733.db2.gz VTGHRWOVEYKSLQ-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)c2ccccc21 ZINC001325718280 934924986 /nfs/dbraw/zinc/92/49/86/934924986.db2.gz RRXUSRIIABVAPW-OALUTQOASA-N 2 1 278.399 3.410 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC001473725852 937819281 /nfs/dbraw/zinc/81/92/81/937819281.db2.gz WLCOWVAXQNJEMD-OALUTQOASA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC001473725852 937819283 /nfs/dbraw/zinc/81/92/83/937819283.db2.gz WLCOWVAXQNJEMD-OALUTQOASA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC001473725852 937819285 /nfs/dbraw/zinc/81/92/85/937819285.db2.gz WLCOWVAXQNJEMD-OALUTQOASA-N 2 1 286.463 3.411 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC001473725852 937819287 /nfs/dbraw/zinc/81/92/87/937819287.db2.gz WLCOWVAXQNJEMD-OALUTQOASA-N 2 1 286.463 3.411 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1CCCC1 ZINC001473749317 937818240 /nfs/dbraw/zinc/81/82/40/937818240.db2.gz KRXCMJZFRIQNON-UHFFFAOYSA-N 2 1 252.446 3.375 20 0 CGADMP Fc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC001332457104 935472167 /nfs/dbraw/zinc/47/21/67/935472167.db2.gz WMDQUGNSJQBBIW-HNNXBMFYSA-N 2 1 276.399 3.180 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001335433337 936145437 /nfs/dbraw/zinc/14/54/37/936145437.db2.gz PMPQEFMOSYJWTE-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCCC(F)(F)F ZINC001335433337 936145440 /nfs/dbraw/zinc/14/54/40/936145440.db2.gz PMPQEFMOSYJWTE-VXGBXAGGSA-N 2 1 266.351 3.039 20 0 CGADMP CCc1ccc(N[C@@H](CC[NH+](C)C)c2cccnc2)[nH+]c1 ZINC001336726156 936210338 /nfs/dbraw/zinc/21/03/38/936210338.db2.gz MEYIMIILHKKWGA-INIZCTEOSA-N 2 1 284.407 3.144 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001473979535 937833584 /nfs/dbraw/zinc/83/35/84/937833584.db2.gz WZVSDDHQTMRQNW-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001473986534 937833741 /nfs/dbraw/zinc/83/37/41/937833741.db2.gz GLKFTFNKKNFHHP-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1cccc(F)c1 ZINC001473985913 937833745 /nfs/dbraw/zinc/83/37/45/937833745.db2.gz ZWHJHGBJICKKPT-CYBMUJFWSA-N 2 1 287.382 3.180 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)CC1(C)C ZINC001474225855 937845106 /nfs/dbraw/zinc/84/51/06/937845106.db2.gz ZCGSKHZNXJIXJF-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP CCc1ccc(NCc2ccc(OCC[NH+](C)C)cc2)[nH+]c1 ZINC001474244725 937845970 /nfs/dbraw/zinc/84/59/70/937845970.db2.gz BZEHXAPWHGSYSB-UHFFFAOYSA-N 2 1 299.418 3.197 20 0 CGADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001474360841 937853840 /nfs/dbraw/zinc/85/38/40/937853840.db2.gz GOFQRBRXUFENOG-GDBMZVCRSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccccc1[C@]1(F)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001474473941 937861839 /nfs/dbraw/zinc/86/18/39/937861839.db2.gz GIXDDVGMZUUQSS-SFHVURJKSA-N 2 1 290.426 3.207 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@]2(C)CCCCO2)cc1 ZINC001474500153 937863291 /nfs/dbraw/zinc/86/32/91/937863291.db2.gz BFFDQVCKLKLJPJ-GOSISDBHSA-N 2 1 290.451 3.139 20 0 CGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CCO1 ZINC001474645018 937872653 /nfs/dbraw/zinc/87/26/53/937872653.db2.gz BLVRDNYTBIUZMG-IAGOWNOFSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)SCC[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001474647905 937872693 /nfs/dbraw/zinc/87/26/93/937872693.db2.gz WMMLEFTXCFXBBS-CABCVRRESA-N 2 1 272.502 3.180 20 0 CGADMP C[C@H]1CCC[C@@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)C1 ZINC001474741347 937878467 /nfs/dbraw/zinc/87/84/67/937878467.db2.gz UGAZPUXZSCBKOF-LSDHHAIUSA-N 2 1 254.462 3.332 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cc[nH+]cc1 ZINC001515203456 938005030 /nfs/dbraw/zinc/00/50/30/938005030.db2.gz CNCUTFLMHIJKJA-MRXNPFEDSA-N 2 1 281.403 3.182 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001549037194 938154501 /nfs/dbraw/zinc/15/45/01/938154501.db2.gz VJBHSUIEAIAJFS-SPUZQDLCSA-N 2 1 272.436 3.110 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3ccsc32)C1 ZINC001549546925 938157771 /nfs/dbraw/zinc/15/77/71/938157771.db2.gz OAGQTRQGLRETEQ-JSGCOSHPSA-N 2 1 264.438 3.057 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)cc2c1 ZINC001549710301 938158779 /nfs/dbraw/zinc/15/87/79/938158779.db2.gz PSENVDYCMJNREQ-PKOBYXMFSA-N 2 1 295.430 3.104 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)sc1C ZINC001549776743 938159565 /nfs/dbraw/zinc/15/95/65/938159565.db2.gz WFNYFSYPGGJJIK-GJZGRUSLSA-N 2 1 293.480 3.287 20 0 CGADMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CCCC3(CCCC3)CC2)C1 ZINC001550350633 938166240 /nfs/dbraw/zinc/16/62/40/938166240.db2.gz YERGUCVLSYEBRJ-HUUCEWRRSA-N 2 1 250.430 3.160 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@@H]([NH3+])C2)cc1F ZINC001550349946 938166243 /nfs/dbraw/zinc/16/62/43/938166243.db2.gz AWJXGMHHVHSEFH-XPKDYRNWSA-N 2 1 292.398 3.099 20 0 CGADMP FC(F)(F)[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552262236 938190573 /nfs/dbraw/zinc/19/05/73/938190573.db2.gz DGGCIPTWQBDIJK-MQYQWHSLSA-N 2 1 284.325 3.020 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCCc3ccccc3)C[C@]2(C)C1 ZINC001560043987 938242483 /nfs/dbraw/zinc/24/24/83/938242483.db2.gz QAUPLFTYSWZVQK-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CCCCc3ccccc3)C[C@]2(C)C1 ZINC001560043987 938242484 /nfs/dbraw/zinc/24/24/84/938242484.db2.gz QAUPLFTYSWZVQK-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CCCCc3ccccc3)C[C@]2(C)C1 ZINC001560043987 938242485 /nfs/dbraw/zinc/24/24/85/938242485.db2.gz QAUPLFTYSWZVQK-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCCc3ccccc3)C[C@]2(C)C1 ZINC001560043987 938242486 /nfs/dbraw/zinc/24/24/86/938242486.db2.gz QAUPLFTYSWZVQK-KDURUIRLSA-N 2 1 286.463 3.283 20 0 CGADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1F ZINC001560109060 938244297 /nfs/dbraw/zinc/24/42/97/938244297.db2.gz RZSFQQNTYSSZLN-OAHLLOKOSA-N 2 1 299.393 3.240 20 0 CGADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1F ZINC001560109060 938244298 /nfs/dbraw/zinc/24/42/98/938244298.db2.gz RZSFQQNTYSSZLN-OAHLLOKOSA-N 2 1 299.393 3.240 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001560268162 938250148 /nfs/dbraw/zinc/25/01/48/938250148.db2.gz XOHMJTNYKAZIGI-CRAIPNDOSA-N 2 1 290.451 3.184 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001560319014 938252885 /nfs/dbraw/zinc/25/28/85/938252885.db2.gz MCGYIKVGEVFJLY-GDBMZVCRSA-N 2 1 275.440 3.452 20 0 CGADMP Cc1cccc([C@@H](C)C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001560348182 938254310 /nfs/dbraw/zinc/25/43/10/938254310.db2.gz ORCVTVLQWZGNPY-HNNXBMFYSA-N 2 1 283.419 3.349 20 0 CGADMP Cc1cccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1F ZINC001560459579 938259326 /nfs/dbraw/zinc/25/93/26/938259326.db2.gz DGEKSRQJPDNSJW-UHFFFAOYSA-N 2 1 278.415 3.346 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001560756004 938274249 /nfs/dbraw/zinc/27/42/49/938274249.db2.gz XOEWCHVNXIMUNT-KURKYZTESA-N 2 1 296.499 3.293 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2[nH]1 ZINC001222271522 960403696 /nfs/dbraw/zinc/40/36/96/960403696.db2.gz HKGSBVKMIFUFIF-GOSISDBHSA-N 2 1 283.419 3.134 20 0 CGADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H]([NH3+])C(C)C ZINC001574979596 962343253 /nfs/dbraw/zinc/34/32/53/962343253.db2.gz JVYOWQWNPSYKQJ-UNJUUPHPSA-N 2 1 298.377 3.264 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001575115241 962345066 /nfs/dbraw/zinc/34/50/66/962345066.db2.gz CSGUGQIYQXYHTP-KRWDZBQOSA-N 2 1 275.440 3.020 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCC[NH2+]2)C12CCC2 ZINC001575248005 962355932 /nfs/dbraw/zinc/35/59/32/962355932.db2.gz SKMQGUJAENEINA-BZUAXINKSA-N 2 1 294.483 3.235 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)[NH3+])no2)C1 ZINC001575550025 962389509 /nfs/dbraw/zinc/38/95/09/962389509.db2.gz OFHHHLGGTUHMCI-ZDUSSCGKSA-N 2 1 279.428 3.127 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)(F)F ZINC001575565800 962395461 /nfs/dbraw/zinc/39/54/61/962395461.db2.gz PVLTWBWEHKWAPE-NEPJUHHUSA-N 2 1 266.351 3.167 20 0 CGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)(F)F ZINC001575565800 962395481 /nfs/dbraw/zinc/39/54/81/962395481.db2.gz PVLTWBWEHKWAPE-NEPJUHHUSA-N 2 1 266.351 3.167 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)c1cccc(Cl)c1 ZINC001576004923 962431847 /nfs/dbraw/zinc/43/18/47/962431847.db2.gz IROOWJVMGAFNIX-NFAWXSAZSA-N 2 1 280.843 3.360 20 0 CGADMP CC1(C)C[C@@H](c2ccccc2)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001576394125 962454587 /nfs/dbraw/zinc/45/45/87/962454587.db2.gz MVHZPKGXUMFUPC-IMJJTQAJSA-N 2 1 258.409 3.197 20 0 CGADMP C[C@H](c1nccc2ccccc21)[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC001576607920 962473929 /nfs/dbraw/zinc/47/39/29/962473929.db2.gz LJEYMTYZXQBWBF-NFAWXSAZSA-N 2 1 269.392 3.107 20 0 CGADMP C[C@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@H]1C[NH3+] ZINC001576806483 962495898 /nfs/dbraw/zinc/49/58/98/962495898.db2.gz FHNPATJIKICRBH-RDJZCZTQSA-N 2 1 298.430 3.135 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1F ZINC001578234425 962576922 /nfs/dbraw/zinc/57/69/22/962576922.db2.gz ZDFDYCWAEOJQQB-ZNMIVQPWSA-N 2 1 262.372 3.136 20 0 CGADMP C[N@H+](Cc1cccc(SC(F)(F)F)c1)C1CC([NH3+])C1 ZINC001578494474 962591017 /nfs/dbraw/zinc/59/10/17/962591017.db2.gz ZIEOJBKTFCRCQH-UHFFFAOYSA-N 2 1 290.354 3.220 20 0 CGADMP C[N@@H+](Cc1cccc(SC(F)(F)F)c1)C1CC([NH3+])C1 ZINC001578494474 962591026 /nfs/dbraw/zinc/59/10/26/962591026.db2.gz ZIEOJBKTFCRCQH-UHFFFAOYSA-N 2 1 290.354 3.220 20 0 CGADMP Cc1cc(F)ccc1C[NH2+][C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001579613657 962644449 /nfs/dbraw/zinc/64/44/49/962644449.db2.gz HNHVIRWAMXUBMF-ARFHVFGLSA-N 2 1 276.399 3.000 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001579617138 962646023 /nfs/dbraw/zinc/64/60/23/962646023.db2.gz MMEDSVMEWUITEV-MWLCHTKSSA-N 2 1 278.293 3.064 20 0 CGADMP Cc1ccc2sc(C[N@H+]3CCC[C@H](CC[NH3+])C3)nc2c1 ZINC001579743581 962660811 /nfs/dbraw/zinc/66/08/11/962660811.db2.gz ZBXKFFSGKJOXHG-CYBMUJFWSA-N 2 1 289.448 3.166 20 0 CGADMP Cc1ccc(F)cc1C[NH2+][C@@]1(C[NH3+])CCCC[C@H]1C ZINC001579708405 962666328 /nfs/dbraw/zinc/66/63/28/962666328.db2.gz QVKUVFXMALHDSI-CZUORRHYSA-N 2 1 264.388 3.131 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC001579795439 962669892 /nfs/dbraw/zinc/66/98/92/962669892.db2.gz SQKHALUQGPDXQP-KRWDZBQOSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc2c1CC(C)(C)[N@@H+](CCC[NH2+]C1CC1)C2 ZINC001579776204 962671614 /nfs/dbraw/zinc/67/16/14/962671614.db2.gz JPFRNGRTKHJBOY-UHFFFAOYSA-N 2 1 272.436 3.274 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2n1 ZINC001580171347 962696565 /nfs/dbraw/zinc/69/65/65/962696565.db2.gz MHXIQHNZHFVKNA-ZXFUBFMLSA-N 2 1 281.403 3.079 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001580244047 962710409 /nfs/dbraw/zinc/71/04/09/962710409.db2.gz NUXSJKBDKPUTAY-AWEZNQCLSA-N 2 1 264.800 3.216 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000621337588 349499766 /nfs/dbraw/zinc/49/97/66/349499766.db2.gz DAAPVLSANMZJQI-QWHCGFSZSA-N 2 1 266.454 3.273 20 0 CGADMP CCCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000621337588 349499769 /nfs/dbraw/zinc/49/97/69/349499769.db2.gz DAAPVLSANMZJQI-QWHCGFSZSA-N 2 1 266.454 3.273 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000127822121 187334597 /nfs/dbraw/zinc/33/45/97/187334597.db2.gz XTCMPPAMGBQARI-RYQLBKOJSA-N 2 1 274.452 3.499 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1cccs1)C1CC1 ZINC000124861817 187158822 /nfs/dbraw/zinc/15/88/22/187158822.db2.gz MJZLFTAHCQZLJH-ZDUSSCGKSA-N 2 1 264.438 3.197 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccs1)C1CC1 ZINC000124861817 187158823 /nfs/dbraw/zinc/15/88/23/187158823.db2.gz MJZLFTAHCQZLJH-ZDUSSCGKSA-N 2 1 264.438 3.197 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1cccs1)C1CC1 ZINC000124861817 187158824 /nfs/dbraw/zinc/15/88/24/187158824.db2.gz MJZLFTAHCQZLJH-ZDUSSCGKSA-N 2 1 264.438 3.197 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1cccs1)C1CC1 ZINC000124861817 187158825 /nfs/dbraw/zinc/15/88/25/187158825.db2.gz MJZLFTAHCQZLJH-ZDUSSCGKSA-N 2 1 264.438 3.197 20 0 CGADMP C[C@H](c1cccs1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124949117 187162620 /nfs/dbraw/zinc/16/26/20/187162620.db2.gz FXYIBUKMTAJNAC-OLZOCXBDSA-N 2 1 252.427 3.225 20 0 CGADMP C[C@H](c1cccs1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124949117 187162621 /nfs/dbraw/zinc/16/26/21/187162621.db2.gz FXYIBUKMTAJNAC-OLZOCXBDSA-N 2 1 252.427 3.225 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124949117 187162622 /nfs/dbraw/zinc/16/26/22/187162622.db2.gz FXYIBUKMTAJNAC-OLZOCXBDSA-N 2 1 252.427 3.225 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3cnccc3o2)CC1 ZINC000651611794 398258597 /nfs/dbraw/zinc/25/85/97/398258597.db2.gz MBKUTYPUNMZYHB-UHFFFAOYSA-N 2 1 287.407 3.132 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3cnccc3o2)CC1 ZINC000651611794 398258599 /nfs/dbraw/zinc/25/85/99/398258599.db2.gz MBKUTYPUNMZYHB-UHFFFAOYSA-N 2 1 287.407 3.132 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000651672823 398266419 /nfs/dbraw/zinc/26/64/19/398266419.db2.gz MBANPKPKYYBKCB-VNQPRFMTSA-N 2 1 263.429 3.386 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651680698 398268390 /nfs/dbraw/zinc/26/83/90/398268390.db2.gz OHQUEWKWWUYTJS-LVQVYYBASA-N 2 1 250.430 3.172 20 0 CGADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622005377 349621189 /nfs/dbraw/zinc/62/11/89/349621189.db2.gz CQZNHFFPKFXLCH-BEFAXECRSA-N 2 1 296.414 3.162 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622005377 349621191 /nfs/dbraw/zinc/62/11/91/349621191.db2.gz CQZNHFFPKFXLCH-BEFAXECRSA-N 2 1 296.414 3.162 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCCC[C@H]2C)CCCO1 ZINC000651786292 398287876 /nfs/dbraw/zinc/28/78/76/398287876.db2.gz REAOPWOLOCHQTE-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCCC[C@H]2C)CCCO1 ZINC000651786292 398287879 /nfs/dbraw/zinc/28/78/79/398287879.db2.gz REAOPWOLOCHQTE-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651828090 398294662 /nfs/dbraw/zinc/29/46/62/398294662.db2.gz VHUXGMMVRZYHFE-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(Cl)c1 ZINC000337945970 214325931 /nfs/dbraw/zinc/32/59/31/214325931.db2.gz FIJUYOPKODOMHQ-UHFFFAOYSA-N 2 1 293.798 3.033 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(C(C)C)CC1 ZINC000337950715 214327266 /nfs/dbraw/zinc/32/72/66/214327266.db2.gz MDFJIVOBUYRFBL-UHFFFAOYSA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651911499 398305970 /nfs/dbraw/zinc/30/59/70/398305970.db2.gz BUUJJNVUWCGIGB-ZQDZILKHSA-N 2 1 250.430 3.028 20 0 CGADMP CCCCO[C@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338016108 214362279 /nfs/dbraw/zinc/36/22/79/214362279.db2.gz ZQJKWNOATISLJI-CVEARBPZSA-N 2 1 293.455 3.155 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000423477350 529453854 /nfs/dbraw/zinc/45/38/54/529453854.db2.gz TVAOZWFWNGKCBF-BBRMVZONSA-N 2 1 260.381 3.457 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000423476233 529454119 /nfs/dbraw/zinc/45/41/19/529454119.db2.gz SEVAFNPYRGSZPY-ZWKOTPCHSA-N 2 1 268.404 3.297 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423478461 529569025 /nfs/dbraw/zinc/56/90/25/529569025.db2.gz UPPDCKVPKIVTEL-IEBWSBKVSA-N 2 1 298.430 3.306 20 0 CGADMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccccc1F ZINC000423289744 529590403 /nfs/dbraw/zinc/59/04/03/529590403.db2.gz YAJHHEFTYNTTAW-AWEZNQCLSA-N 2 1 252.377 3.384 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1C[C@H]1C ZINC000414109466 529613597 /nfs/dbraw/zinc/61/35/97/529613597.db2.gz HHNMYGJKCLLKCA-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000270667566 282207070 /nfs/dbraw/zinc/20/70/70/282207070.db2.gz QNWWPEJXKJFNED-UHFFFAOYSA-N 2 1 273.380 3.229 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000270667566 282207071 /nfs/dbraw/zinc/20/70/71/282207071.db2.gz QNWWPEJXKJFNED-UHFFFAOYSA-N 2 1 273.380 3.229 20 0 CGADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623371515 349792317 /nfs/dbraw/zinc/79/23/17/349792317.db2.gz HEOYBDNQDQAFLJ-MRXNPFEDSA-N 2 1 290.451 3.090 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1OC(F)F ZINC000423406772 529659194 /nfs/dbraw/zinc/65/91/94/529659194.db2.gz UZACPKHBYRIEPT-FPMFFAJLSA-N 2 1 298.377 3.327 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC000116916452 282215900 /nfs/dbraw/zinc/21/59/00/282215900.db2.gz DRIGPHNQTUTSMI-CYBMUJFWSA-N 2 1 275.371 3.065 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)CC1(C)C ZINC000623381900 349794948 /nfs/dbraw/zinc/79/49/48/349794948.db2.gz NRTHPFGUWOLYEU-BLLLJJGKSA-N 2 1 276.399 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)CC1(C)C ZINC000623381900 349794953 /nfs/dbraw/zinc/79/49/53/349794953.db2.gz NRTHPFGUWOLYEU-BLLLJJGKSA-N 2 1 276.399 3.275 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC1=CCCCC1 ZINC000450593644 282225550 /nfs/dbraw/zinc/22/55/50/282225550.db2.gz BPKHCJKAQJSNMD-SQNIBIBYSA-N 2 1 292.467 3.060 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)CC1(C)C ZINC000623423954 349804734 /nfs/dbraw/zinc/80/47/34/349804734.db2.gz XWJMDCLJXVRJPH-MAUKXSAKSA-N 2 1 286.463 3.254 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000127874887 187338018 /nfs/dbraw/zinc/33/80/18/187338018.db2.gz ANKAPMPCDLXMLV-KGLIPLIRSA-N 2 1 289.398 3.360 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)CC1(C)C ZINC000623468476 349814342 /nfs/dbraw/zinc/81/43/42/349814342.db2.gz WJTJGHIKOLPQAK-QGZVFWFLSA-N 2 1 286.463 3.472 20 0 CGADMP CCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623467562 349814981 /nfs/dbraw/zinc/81/49/81/349814981.db2.gz ONDPSAYXNAUPOW-INIZCTEOSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2Cc3ccccc3C2)CC1(C)C ZINC000623473902 349815781 /nfs/dbraw/zinc/81/57/81/349815781.db2.gz LRWUHZWIXNLCEO-SFHVURJKSA-N 2 1 286.463 3.254 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+]CC([NH3+])(CC)CC)CCC2 ZINC000423283207 529747523 /nfs/dbraw/zinc/74/75/23/529747523.db2.gz DXDLWNJGXLMLHB-NSHDSACASA-N 2 1 281.469 3.190 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000480236060 534945517 /nfs/dbraw/zinc/94/55/17/534945517.db2.gz YNWITRCBWYYMKJ-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)CC1(C)C ZINC000623503084 349822757 /nfs/dbraw/zinc/82/27/57/349822757.db2.gz LDEJWPSFHGLVJY-ZIAGYGMSSA-N 2 1 252.446 3.418 20 0 CGADMP CSCC1CCC([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000295051597 199321029 /nfs/dbraw/zinc/32/10/29/199321029.db2.gz NKXKSVNRKKXPNZ-UHFFFAOYSA-N 2 1 293.480 3.159 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)CC1(C)C ZINC000623524061 349826001 /nfs/dbraw/zinc/82/60/01/349826001.db2.gz AHCPFJYGXHXWHO-HNNXBMFYSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C2CC2)CC1(C)C ZINC000623533531 349828433 /nfs/dbraw/zinc/82/84/33/349828433.db2.gz FCDXGFQCTOMHNR-CQSZACIVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351502071 219107355 /nfs/dbraw/zinc/10/73/55/219107355.db2.gz ZDHLJEKPMFNCHI-SYAUCNOPSA-N 2 1 297.402 3.072 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351502071 219107358 /nfs/dbraw/zinc/10/73/58/219107358.db2.gz ZDHLJEKPMFNCHI-SYAUCNOPSA-N 2 1 297.402 3.072 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656233 349858739 /nfs/dbraw/zinc/85/87/39/349858739.db2.gz PTIHXBWOMDESBA-KRWDZBQOSA-N 2 1 291.483 3.356 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1F ZINC000623657225 349858770 /nfs/dbraw/zinc/85/87/70/349858770.db2.gz LOPFFKTZJMZVCV-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1F ZINC000623657225 349858771 /nfs/dbraw/zinc/85/87/71/349858771.db2.gz LOPFFKTZJMZVCV-ZIAGYGMSSA-N 2 1 264.388 3.208 20 0 CGADMP CCc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657637 349859601 /nfs/dbraw/zinc/85/96/01/349859601.db2.gz VUHKIDJAFOCXRF-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657667 349859685 /nfs/dbraw/zinc/85/96/85/349859685.db2.gz WHPRDXBNXPLNKE-CQSZACIVSA-N 2 1 278.415 3.210 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657667 349859686 /nfs/dbraw/zinc/85/96/86/349859686.db2.gz WHPRDXBNXPLNKE-CQSZACIVSA-N 2 1 278.415 3.210 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(Cl)c1 ZINC000623657355 349859994 /nfs/dbraw/zinc/85/99/94/349859994.db2.gz ONNKXTSZPIASRR-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(Cl)c1 ZINC000623657355 349860000 /nfs/dbraw/zinc/86/00/00/349860000.db2.gz ONNKXTSZPIASRR-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656175 349857061 /nfs/dbraw/zinc/85/70/61/349857061.db2.gz OOCHGWCVXBVMOQ-JCVNQNCUSA-N 2 1 288.435 3.030 20 0 CGADMP Fc1ccc(/C=C\CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728275 349872108 /nfs/dbraw/zinc/87/21/08/349872108.db2.gz GDUJHHCNMAMUJZ-JXCVUKRWSA-N 2 1 288.410 3.445 20 0 CGADMP Fc1ccc(/C=C\CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728275 349872112 /nfs/dbraw/zinc/87/21/12/349872112.db2.gz GDUJHHCNMAMUJZ-JXCVUKRWSA-N 2 1 288.410 3.445 20 0 CGADMP CSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592362223 346978827 /nfs/dbraw/zinc/97/88/27/346978827.db2.gz OWZFXTTVVCPMDN-INIZCTEOSA-N 2 1 290.476 3.136 20 0 CGADMP CSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592362223 346978829 /nfs/dbraw/zinc/97/88/29/346978829.db2.gz OWZFXTTVVCPMDN-INIZCTEOSA-N 2 1 290.476 3.136 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000423269152 529999614 /nfs/dbraw/zinc/99/96/14/529999614.db2.gz GUAYFRLHGLBADK-QWHCGFSZSA-N 2 1 260.381 3.247 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000067214565 345317284 /nfs/dbraw/zinc/31/72/84/345317284.db2.gz YHNQIAWNZZVLHN-UHFFFAOYSA-N 2 1 292.452 3.125 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000076002668 345530491 /nfs/dbraw/zinc/53/04/91/345530491.db2.gz OODZFGRTKNKQRH-QGZVFWFLSA-N 2 1 274.452 3.467 20 0 CGADMP Cc1cccc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[nH+]1 ZINC000077316532 345568237 /nfs/dbraw/zinc/56/82/37/345568237.db2.gz DVJUGCYVTVXJST-HNNXBMFYSA-N 2 1 296.418 3.423 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000079651895 345650274 /nfs/dbraw/zinc/65/02/74/345650274.db2.gz PMPJHPDSDQAMIP-AWEZNQCLSA-N 2 1 252.446 3.275 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000089214456 345767102 /nfs/dbraw/zinc/76/71/02/345767102.db2.gz QCSZUYSORNKSDE-JFIYKMOQSA-N 2 1 288.410 3.420 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000089609076 345771684 /nfs/dbraw/zinc/77/16/84/345771684.db2.gz FCNYOUWMOYZOPY-OAGGEKHMSA-N 2 1 252.446 3.133 20 0 CGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252861817 346392619 /nfs/dbraw/zinc/39/26/19/346392619.db2.gz NQFDAPCOAMEEMC-RYQLBKOJSA-N 2 1 288.435 3.035 20 0 CGADMP CC/C=C\CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000342202640 346504536 /nfs/dbraw/zinc/50/45/36/346504536.db2.gz NRRYHTGSLDBEFO-QGZUEGPWSA-N 2 1 250.430 3.151 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000401795871 346592672 /nfs/dbraw/zinc/59/26/72/346592672.db2.gz YQWZUBHEXNXFNA-KRWDZBQOSA-N 2 1 283.419 3.365 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000401793813 346592682 /nfs/dbraw/zinc/59/26/82/346592682.db2.gz XUKCHSKLDCXJBL-KRWDZBQOSA-N 2 1 294.402 3.111 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]CCC[N@H+](C)C(C)C ZINC000588177314 346754518 /nfs/dbraw/zinc/75/45/18/346754518.db2.gz BQGUCGFDBFRBIG-DTQAZKPQSA-N 2 1 260.425 3.410 20 0 CGADMP CC[N@@H+](CCCSC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659220 347762413 /nfs/dbraw/zinc/76/24/13/347762413.db2.gz GXUUKZIYYWHSSO-UHFFFAOYSA-N 2 1 280.481 3.323 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000600192099 347791672 /nfs/dbraw/zinc/79/16/72/347791672.db2.gz SSMROSVVXNBANI-KRWDZBQOSA-N 2 1 292.492 3.241 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120057 349976580 /nfs/dbraw/zinc/97/65/80/349976580.db2.gz QOSUJYPHSOQHTB-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120654 349976842 /nfs/dbraw/zinc/97/68/42/349976842.db2.gz DMTSRJYUVCJJAN-NVXWUHKLSA-N 2 1 292.442 3.468 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000624120768 349978777 /nfs/dbraw/zinc/97/87/77/349978777.db2.gz GTANMWCTAKSQNS-MAUKXSAKSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000624121430 349978312 /nfs/dbraw/zinc/97/83/12/349978312.db2.gz WHIHHVGYWJONSB-GJZGRUSLSA-N 2 1 288.435 3.099 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121946 349980738 /nfs/dbraw/zinc/98/07/38/349980738.db2.gz GLGJZKPZCSEGCJ-HUUCEWRRSA-N 2 1 275.440 3.027 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121946 349980741 /nfs/dbraw/zinc/98/07/41/349980741.db2.gz GLGJZKPZCSEGCJ-HUUCEWRRSA-N 2 1 275.440 3.027 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCCCC1 ZINC000624123403 349982963 /nfs/dbraw/zinc/98/29/63/349982963.db2.gz LESDYAQXJDNZLA-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000339412493 215156990 /nfs/dbraw/zinc/15/69/90/215156990.db2.gz OTYADVZAQQRXBT-CHWSQXEVSA-N 2 1 298.833 3.471 20 0 CGADMP Cc1[nH+]ccn1CC(Cn1cc[nH+]c1C)C(C)(C)C ZINC000273320362 192112111 /nfs/dbraw/zinc/11/21/11/192112111.db2.gz PEYWGRFOPAIICH-UHFFFAOYSA-N 2 1 260.385 3.059 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc2cnccc2o1 ZINC000624123229 349982753 /nfs/dbraw/zinc/98/27/53/349982753.db2.gz IGYODDDORIPUGZ-ZIAGYGMSSA-N 2 1 287.407 3.210 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000624123229 349982757 /nfs/dbraw/zinc/98/27/57/349982757.db2.gz IGYODDDORIPUGZ-ZIAGYGMSSA-N 2 1 287.407 3.210 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000607167159 348227080 /nfs/dbraw/zinc/22/70/80/348227080.db2.gz FLTXRESLSHJZEQ-OAHLLOKOSA-N 2 1 283.419 3.055 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000607167159 348227084 /nfs/dbraw/zinc/22/70/84/348227084.db2.gz FLTXRESLSHJZEQ-OAHLLOKOSA-N 2 1 283.419 3.055 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC000339438199 215171441 /nfs/dbraw/zinc/17/14/41/215171441.db2.gz DPBBRALWPNZNRH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC000339438199 215171444 /nfs/dbraw/zinc/17/14/44/215171444.db2.gz DPBBRALWPNZNRH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4o3)C2)C1 ZINC000339438199 215171448 /nfs/dbraw/zinc/17/14/48/215171448.db2.gz DPBBRALWPNZNRH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4ccccc4o3)C2)C1 ZINC000339438199 215171451 /nfs/dbraw/zinc/17/14/51/215171451.db2.gz DPBBRALWPNZNRH-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOC3CCCCCC3)C2)C1 ZINC000339441253 215173017 /nfs/dbraw/zinc/17/30/17/215173017.db2.gz VCUXXOGYCPYRER-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOC3CCCCCC3)C2)C1 ZINC000339441253 215173020 /nfs/dbraw/zinc/17/30/20/215173020.db2.gz VCUXXOGYCPYRER-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOC3CCCCCC3)C2)C1 ZINC000339441253 215173022 /nfs/dbraw/zinc/17/30/22/215173022.db2.gz VCUXXOGYCPYRER-GOSISDBHSA-N 2 1 294.483 3.144 20 0 CGADMP C/C=C\C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624198753 349999663 /nfs/dbraw/zinc/99/96/63/349999663.db2.gz XAUYOBMTRPPEFA-OSHRSESXSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054977 233048244 /nfs/dbraw/zinc/04/82/44/233048244.db2.gz BIJOWRVEUMPBEW-QWQRMKEZSA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054977 233048246 /nfs/dbraw/zinc/04/82/46/233048246.db2.gz BIJOWRVEUMPBEW-QWQRMKEZSA-N 2 1 283.419 3.053 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)CC[N@H+]1C ZINC000624272273 350015877 /nfs/dbraw/zinc/01/58/77/350015877.db2.gz AQICNYWIHPKGDV-VXGBXAGGSA-N 2 1 278.362 3.181 20 0 CGADMP COC1(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000359732419 233368338 /nfs/dbraw/zinc/36/83/38/233368338.db2.gz DIQYGYOCWGZEGX-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000626164720 350275875 /nfs/dbraw/zinc/27/58/75/350275875.db2.gz OAYDUBVYNWLHPQ-NHZBNJEXSA-N 2 1 261.413 3.031 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000626164720 350275878 /nfs/dbraw/zinc/27/58/78/350275878.db2.gz OAYDUBVYNWLHPQ-NHZBNJEXSA-N 2 1 261.413 3.031 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000628163794 350418152 /nfs/dbraw/zinc/41/81/52/350418152.db2.gz RYSPPIOUFHUZCN-MRXNPFEDSA-N 2 1 274.452 3.372 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCS1 ZINC000628184551 350428673 /nfs/dbraw/zinc/42/86/73/350428673.db2.gz PTRZPLUHRZJXDX-JKSUJKDBSA-N 2 1 282.497 3.080 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186736 350430152 /nfs/dbraw/zinc/43/01/52/350430152.db2.gz UYGDVODOVVTSAD-IAGOWNOFSA-N 2 1 274.452 3.372 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186736 350430158 /nfs/dbraw/zinc/43/01/58/350430158.db2.gz UYGDVODOVVTSAD-IAGOWNOFSA-N 2 1 274.452 3.372 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186736 350430161 /nfs/dbraw/zinc/43/01/61/350430161.db2.gz UYGDVODOVVTSAD-IAGOWNOFSA-N 2 1 274.452 3.372 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000628425516 350537133 /nfs/dbraw/zinc/53/71/33/350537133.db2.gz NVJZFSFJUOMDLL-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000629535196 350704964 /nfs/dbraw/zinc/70/49/64/350704964.db2.gz CIBCEIOSPCMKKZ-GDBMZVCRSA-N 2 1 289.467 3.184 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000629535198 350705117 /nfs/dbraw/zinc/70/51/17/350705117.db2.gz CIBCEIOSPCMKKZ-GOEBONIOSA-N 2 1 289.467 3.184 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000629559343 350714171 /nfs/dbraw/zinc/71/41/71/350714171.db2.gz AVPGUBCHVVYPMQ-ZIAGYGMSSA-N 2 1 292.389 3.416 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C[NH2+]1 ZINC000629415708 350690763 /nfs/dbraw/zinc/69/07/63/350690763.db2.gz RJETUOGALXTNOM-XLNGHYISSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656223 350731576 /nfs/dbraw/zinc/73/15/76/350731576.db2.gz NCMSXUQJRZZSSY-GHMZBOCLSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1ccsc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656223 350731578 /nfs/dbraw/zinc/73/15/78/350731578.db2.gz NCMSXUQJRZZSSY-GHMZBOCLSA-N 2 1 292.370 3.016 20 0 CGADMP CCc1ccc(C2CC[NH+](CC(C)(C)[NH3+])CC2)cc1 ZINC000629668065 350733340 /nfs/dbraw/zinc/73/33/40/350733340.db2.gz XRSPFSBIWNFEDM-UHFFFAOYSA-N 2 1 260.425 3.166 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C)cc1F ZINC000631079500 350946895 /nfs/dbraw/zinc/94/68/95/350946895.db2.gz HMBIGGYUFBYCKI-UHFFFAOYSA-N 2 1 275.371 3.209 20 0 CGADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000631262091 351010945 /nfs/dbraw/zinc/01/09/45/351010945.db2.gz NZEFVKGQZNJMQD-ZIAGYGMSSA-N 2 1 290.373 3.324 20 0 CGADMP CCC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(C)ccn1 ZINC000631564702 351068082 /nfs/dbraw/zinc/06/80/82/351068082.db2.gz ZJXOMFYMKZKCBH-MRXNPFEDSA-N 2 1 275.440 3.307 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)C1 ZINC000631569670 351070468 /nfs/dbraw/zinc/07/04/68/351070468.db2.gz MCBQFEPRKWSRIS-JKSUJKDBSA-N 2 1 299.462 3.420 20 0 CGADMP FC1(F)CC[C@@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000631829062 351149004 /nfs/dbraw/zinc/14/90/04/351149004.db2.gz GCUASBXJPUYYDS-UKRRQHHQSA-N 2 1 286.410 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)[C@@H](C)C1 ZINC000631731367 351130140 /nfs/dbraw/zinc/13/01/40/351130140.db2.gz MNEVADAJPXAXOT-ULQDDVLXSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336506050 213381978 /nfs/dbraw/zinc/38/19/78/213381978.db2.gz QIRIMDYAUPMMNQ-GFCCVEGCSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000291475163 198031677 /nfs/dbraw/zinc/03/16/77/198031677.db2.gz PTPDXUARZCRLAE-BBRMVZONSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCc2cccc(Cl)c2)CC[N@H+]1C ZINC000291475163 198031679 /nfs/dbraw/zinc/03/16/79/198031679.db2.gz PTPDXUARZCRLAE-BBRMVZONSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCc2cccc(Cl)c2)CC[NH+]1C ZINC000291475163 198031680 /nfs/dbraw/zinc/03/16/80/198031680.db2.gz PTPDXUARZCRLAE-BBRMVZONSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2cccc(Cl)c2)CC[NH+]1C ZINC000291475163 198031681 /nfs/dbraw/zinc/03/16/81/198031681.db2.gz PTPDXUARZCRLAE-BBRMVZONSA-N 2 1 280.843 3.297 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635010017 351628558 /nfs/dbraw/zinc/62/85/58/351628558.db2.gz PRJXRQBRQAZWHS-NWDGAFQWSA-N 2 1 292.732 3.328 20 0 CGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(F)c1 ZINC000635011081 351629209 /nfs/dbraw/zinc/62/92/09/351629209.db2.gz MEQNSDVPZBASOW-CHWSQXEVSA-N 2 1 294.414 3.263 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CC=CCC2)cn1 ZINC000121164923 186954983 /nfs/dbraw/zinc/95/49/83/186954983.db2.gz OAGYGZKNDJKKRN-OAHLLOKOSA-N 2 1 282.391 3.022 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccccc2)CC[N@@H+]1C ZINC000123681169 187104223 /nfs/dbraw/zinc/10/42/23/187104223.db2.gz JSWTZKZHXDGYTI-HUUCEWRRSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccccc2)CC[N@H+]1C ZINC000123681169 187104224 /nfs/dbraw/zinc/10/42/24/187104224.db2.gz JSWTZKZHXDGYTI-HUUCEWRRSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCSc2ccccc2)CC[NH+]1C ZINC000123681169 187104225 /nfs/dbraw/zinc/10/42/25/187104225.db2.gz JSWTZKZHXDGYTI-HUUCEWRRSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCSc2ccccc2)CC[NH+]1C ZINC000123681169 187104226 /nfs/dbraw/zinc/10/42/26/187104226.db2.gz JSWTZKZHXDGYTI-HUUCEWRRSA-N 2 1 278.465 3.193 20 0 CGADMP C[C@@H]1[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1c1ccccc1 ZINC000364115349 234021177 /nfs/dbraw/zinc/02/11/77/234021177.db2.gz YTASSFIRSYVLLF-WBAXXEDZSA-N 2 1 270.420 3.030 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271577008 191222904 /nfs/dbraw/zinc/22/29/04/191222904.db2.gz ZTNHQWHRDNOFOS-UXLLHSPISA-N 2 1 292.492 3.238 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000271643987 191256830 /nfs/dbraw/zinc/25/68/30/191256830.db2.gz FDBONFWZUGGTOF-MRXNPFEDSA-N 2 1 273.355 3.072 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000367478887 234218528 /nfs/dbraw/zinc/21/85/28/234218528.db2.gz QBZFCNXQXWBOSP-AWEZNQCLSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000367478887 234218532 /nfs/dbraw/zinc/21/85/32/234218532.db2.gz QBZFCNXQXWBOSP-AWEZNQCLSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000152890466 188050569 /nfs/dbraw/zinc/05/05/69/188050569.db2.gz MEALFQPCYBOEHG-DEYYWGMASA-N 2 1 299.418 3.399 20 0 CGADMP Cn1cccc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530738 234318538 /nfs/dbraw/zinc/31/85/38/234318538.db2.gz PGMXHKYBIHEJSP-LJQANCHMSA-N 2 1 297.446 3.027 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156209473 188249383 /nfs/dbraw/zinc/24/93/83/188249383.db2.gz SWRHUEDHELMAAD-BFYDXBDKSA-N 2 1 260.425 3.253 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158765082 188393092 /nfs/dbraw/zinc/39/30/92/188393092.db2.gz RHQDHZSOXILJPM-DJIMGWMZSA-N 2 1 258.409 3.164 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119274996 370661081 /nfs/dbraw/zinc/66/10/81/370661081.db2.gz ZZEAVTYGJYBFFW-DZGCQCFKSA-N 2 1 278.465 3.147 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC000420387846 283001070 /nfs/dbraw/zinc/00/10/70/283001070.db2.gz WDWLBPMONCTINK-ROUUACIJSA-N 2 1 288.410 3.279 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000271731752 191294569 /nfs/dbraw/zinc/29/45/69/191294569.db2.gz YPQUWYZFINACKG-GJZGRUSLSA-N 2 1 276.424 3.139 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000271731752 191294572 /nfs/dbraw/zinc/29/45/72/191294572.db2.gz YPQUWYZFINACKG-GJZGRUSLSA-N 2 1 276.424 3.139 20 0 CGADMP Fc1cccc(F)c1C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261776049 283014546 /nfs/dbraw/zinc/01/45/46/283014546.db2.gz FCVCBWCFHWXCHW-ZDUSSCGKSA-N 2 1 294.389 3.144 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC[NH2+]1 ZINC000414663571 291055454 /nfs/dbraw/zinc/05/54/54/291055454.db2.gz BKCFPZXVDFAKSW-ZFWWWQNUSA-N 2 1 276.399 3.178 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000173386352 188852958 /nfs/dbraw/zinc/85/29/58/188852958.db2.gz GCUNBEQEZZGRFG-RYUDHWBXSA-N 2 1 293.361 3.457 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000271873131 191383051 /nfs/dbraw/zinc/38/30/51/191383051.db2.gz YLMDTFFSETUBLK-UHFFFAOYSA-N 2 1 266.388 3.191 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cc1F ZINC000414076395 235330680 /nfs/dbraw/zinc/33/06/80/235330680.db2.gz QAPUUQRSODSQME-YWPYICTPSA-N 2 1 287.382 3.454 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)c1 ZINC000414079572 235331137 /nfs/dbraw/zinc/33/11/37/235331137.db2.gz SZDSFWFNWGMZGH-CQSZACIVSA-N 2 1 287.407 3.249 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000414181321 235356202 /nfs/dbraw/zinc/35/62/02/235356202.db2.gz LYWLTYPWVJYDCN-GFCCVEGCSA-N 2 1 255.321 3.087 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594763 138343101 /nfs/dbraw/zinc/34/31/01/138343101.db2.gz KGXHXWRZGQTYCW-HOTGVXAUSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCSc1ccccc1 ZINC000123648223 138368481 /nfs/dbraw/zinc/36/84/81/138368481.db2.gz DUVUAHUFAXPQAC-HNNXBMFYSA-N 2 1 266.454 3.084 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000110116996 138362633 /nfs/dbraw/zinc/36/26/33/138362633.db2.gz GLPSYZWRIPTZFY-UHFFFAOYSA-N 2 1 260.425 3.077 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000125993338 138384511 /nfs/dbraw/zinc/38/45/11/138384511.db2.gz NMWBCRQRFWKTBP-HOCLYGCPSA-N 2 1 294.487 3.481 20 0 CGADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1cc2ccccc2o1 ZINC000124895349 138378743 /nfs/dbraw/zinc/37/87/43/138378743.db2.gz LDTWFGYIKDDKRQ-HNNXBMFYSA-N 2 1 272.392 3.349 20 0 CGADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc2ccccc2o1 ZINC000124895349 138378744 /nfs/dbraw/zinc/37/87/44/138378744.db2.gz LDTWFGYIKDDKRQ-HNNXBMFYSA-N 2 1 272.392 3.349 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc2ccccc2o1 ZINC000124895349 138378745 /nfs/dbraw/zinc/37/87/45/138378745.db2.gz LDTWFGYIKDDKRQ-HNNXBMFYSA-N 2 1 272.392 3.349 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cc2ccccc2o1 ZINC000124895349 138378746 /nfs/dbraw/zinc/37/87/46/138378746.db2.gz LDTWFGYIKDDKRQ-HNNXBMFYSA-N 2 1 272.392 3.349 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cc2ccccc2o1 ZINC000124895349 138378747 /nfs/dbraw/zinc/37/87/47/138378747.db2.gz LDTWFGYIKDDKRQ-HNNXBMFYSA-N 2 1 272.392 3.349 20 0 CGADMP Cc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)s1 ZINC000126648231 138386792 /nfs/dbraw/zinc/38/67/92/138386792.db2.gz WUAJYMMZOQACOO-CQSZACIVSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)s1 ZINC000126648231 138386793 /nfs/dbraw/zinc/38/67/93/138386793.db2.gz WUAJYMMZOQACOO-CQSZACIVSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000126648231 138386794 /nfs/dbraw/zinc/38/67/94/138386794.db2.gz WUAJYMMZOQACOO-CQSZACIVSA-N 2 1 266.454 3.363 20 0 CGADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000126648231 138386795 /nfs/dbraw/zinc/38/67/95/138386795.db2.gz WUAJYMMZOQACOO-CQSZACIVSA-N 2 1 266.454 3.363 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000128474341 138393670 /nfs/dbraw/zinc/39/36/70/138393670.db2.gz HOULLANMBBKVTD-QGZVFWFLSA-N 2 1 278.440 3.279 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3C[C@H]3C3CC3)CC[NH2+]2)cc1 ZINC000423164668 235985112 /nfs/dbraw/zinc/98/51/12/235985112.db2.gz OSCYUNLFJDQNLG-MHORFTMASA-N 2 1 270.420 3.115 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423278963 236020008 /nfs/dbraw/zinc/02/00/08/236020008.db2.gz QOPOUVVTKGHFRQ-BPUTZDHNSA-N 2 1 278.827 3.303 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2c(s1)CCCC2 ZINC000423284218 236022803 /nfs/dbraw/zinc/02/28/03/236022803.db2.gz WRISGUGUJYINHL-GWCFXTLKSA-N 2 1 264.438 3.015 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC(C)(C)[NH3+])sc1Br ZINC000423287160 236024937 /nfs/dbraw/zinc/02/49/37/236024937.db2.gz KQIRZMPKODECEC-QMMMGPOBSA-N 2 1 291.258 3.207 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1F ZINC000423267140 236014306 /nfs/dbraw/zinc/01/43/06/236014306.db2.gz SVBLIAUHVRAMFK-BLLLJJGKSA-N 2 1 294.414 3.393 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C2CCCC2)o1 ZINC000423317332 236036730 /nfs/dbraw/zinc/03/67/30/236036730.db2.gz KKTKMQAFVMBODP-ZBFHGGJFSA-N 2 1 262.397 3.146 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000423385043 236058396 /nfs/dbraw/zinc/05/83/96/236058396.db2.gz LKCVDVNZYIKVKC-JFIYKMOQSA-N 2 1 299.393 3.170 20 0 CGADMP COC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423350543 236047529 /nfs/dbraw/zinc/04/75/29/236047529.db2.gz XTJRMCSOKMZIDY-CVEARBPZSA-N 2 1 296.842 3.007 20 0 CGADMP C[C@@H]([C@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F)C1CCCCC1 ZINC000423487155 236084588 /nfs/dbraw/zinc/08/45/88/236084588.db2.gz VFQNAISZIIZIDF-YDHLFZDLSA-N 2 1 288.426 3.426 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726908 535368676 /nfs/dbraw/zinc/36/86/76/535368676.db2.gz GSHGYYSUDJXUAI-HOTGVXAUSA-N 2 1 252.446 3.443 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424373878 236157675 /nfs/dbraw/zinc/15/76/75/236157675.db2.gz HPTPGWUIKDXSJC-AWEZNQCLSA-N 2 1 276.399 3.098 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]3C3CCC3)CC[NH2+]2)cc1 ZINC000424373216 236158272 /nfs/dbraw/zinc/15/82/72/236158272.db2.gz JDIZWPZLABWTQZ-XMTFNYHQSA-N 2 1 270.420 3.258 20 0 CGADMP Cc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424378436 236158853 /nfs/dbraw/zinc/15/88/53/236158853.db2.gz NDJCXLXLTDCFMC-HNNXBMFYSA-N 2 1 272.436 3.267 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1F ZINC000425938691 236274609 /nfs/dbraw/zinc/27/46/09/236274609.db2.gz RBLPCWPGHUBYSJ-NWDGAFQWSA-N 2 1 284.444 3.396 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)C[NH+](C)C ZINC000425943171 236274631 /nfs/dbraw/zinc/27/46/31/236274631.db2.gz IHNKKJBDTMTWHJ-IUODEOHRSA-N 2 1 296.842 3.341 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000336225331 213052889 /nfs/dbraw/zinc/05/28/89/213052889.db2.gz QUZOIVOWOHMHGR-RYUDHWBXSA-N 2 1 289.810 3.057 20 0 CGADMP COc1cccc(C[N@H+](C)CCC[NH+]2CCCCC2)c1 ZINC000428276885 236387820 /nfs/dbraw/zinc/38/78/20/236387820.db2.gz KYAAHDVLDGDKJU-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP COc1cccc(C[N@@H+](C)CCC[NH+]2CCCCC2)c1 ZINC000428276885 236387821 /nfs/dbraw/zinc/38/78/21/236387821.db2.gz KYAAHDVLDGDKJU-UHFFFAOYSA-N 2 1 276.424 3.003 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294720808 199151327 /nfs/dbraw/zinc/15/13/27/199151327.db2.gz COMLAZXTFDQEJK-TZUVLKIQSA-N 2 1 290.426 3.362 20 0 CGADMP COc1ccc(C2([NH2+]CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000341686409 216066186 /nfs/dbraw/zinc/06/61/86/216066186.db2.gz VKVVAOCQYKXBFD-UHFFFAOYSA-N 2 1 299.418 3.259 20 0 CGADMP C[C@@H](F)CC[N@@H+](C)[C@@H]1CCC[NH+](CC[C@H](C)F)CC1 ZINC000351729057 296009545 /nfs/dbraw/zinc/00/95/45/296009545.db2.gz CFGFJYGINBKDMA-QLFBSQMISA-N 2 1 276.415 3.269 20 0 CGADMP C[C@@H](F)CC[NH+](C)[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC000351729057 296009548 /nfs/dbraw/zinc/00/95/48/296009548.db2.gz CFGFJYGINBKDMA-QLFBSQMISA-N 2 1 276.415 3.269 20 0 CGADMP C[C@@H](F)CC[NH+](C)[C@@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000351729057 296009549 /nfs/dbraw/zinc/00/95/49/296009549.db2.gz CFGFJYGINBKDMA-QLFBSQMISA-N 2 1 276.415 3.269 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000177243872 189038651 /nfs/dbraw/zinc/03/86/51/189038651.db2.gz GRYRPWCPJDBRMR-GJZGRUSLSA-N 2 1 276.424 3.078 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178597214 189129665 /nfs/dbraw/zinc/12/96/65/189129665.db2.gz LVDOZZDVAZDQEZ-GVDBMIGSSA-N 2 1 290.451 3.143 20 0 CGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178597214 189129666 /nfs/dbraw/zinc/12/96/66/189129666.db2.gz LVDOZZDVAZDQEZ-GVDBMIGSSA-N 2 1 290.451 3.143 20 0 CGADMP CC/C=C/CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000342251819 216279263 /nfs/dbraw/zinc/27/92/63/216279263.db2.gz RGLUCESEJSEPGG-APHBUQMISA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C/CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000342251819 216279265 /nfs/dbraw/zinc/27/92/65/216279265.db2.gz RGLUCESEJSEPGG-APHBUQMISA-N 2 1 250.430 3.006 20 0 CGADMP CC/C=C/CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000342251819 216279269 /nfs/dbraw/zinc/27/92/69/216279269.db2.gz RGLUCESEJSEPGG-APHBUQMISA-N 2 1 250.430 3.006 20 0 CGADMP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCC1 ZINC000362367063 299321594 /nfs/dbraw/zinc/32/15/94/299321594.db2.gz YYBFAIWTUYEHMC-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Cl ZINC000180974431 189285827 /nfs/dbraw/zinc/28/58/27/189285827.db2.gz KQMXWSLFKZBXGK-TZMCWYRMSA-N 2 1 266.816 3.221 20 0 CGADMP COc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000181600335 189302478 /nfs/dbraw/zinc/30/24/78/189302478.db2.gz JZQILGTYFWPVOK-HOCLYGCPSA-N 2 1 290.451 3.045 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301530266 201049895 /nfs/dbraw/zinc/04/98/95/201049895.db2.gz KVVFUXMAGSIKHS-ZDUSSCGKSA-N 2 1 287.382 3.152 20 0 CGADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Cl)c1ccccc1 ZINC000301598528 201089915 /nfs/dbraw/zinc/08/99/15/201089915.db2.gz TZVYYFZVRALZMQ-OAHLLOKOSA-N 2 1 275.783 3.450 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370454 189357266 /nfs/dbraw/zinc/35/72/66/189357266.db2.gz PPVZCJVDVDQFKZ-DOTOQJQBSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370454 189357267 /nfs/dbraw/zinc/35/72/67/189357267.db2.gz PPVZCJVDVDQFKZ-DOTOQJQBSA-N 2 1 292.442 3.420 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370454 189357268 /nfs/dbraw/zinc/35/72/68/189357268.db2.gz PPVZCJVDVDQFKZ-DOTOQJQBSA-N 2 1 292.442 3.420 20 0 CGADMP CCc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc(C)[nH+]1 ZINC000302049349 201320834 /nfs/dbraw/zinc/32/08/34/201320834.db2.gz MVLZXQVFQBGHRR-UHFFFAOYSA-N 2 1 276.428 3.069 20 0 CGADMP CSCC1CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000449091587 239174856 /nfs/dbraw/zinc/17/48/56/239174856.db2.gz QMPOQKSKNJRTBE-UHFFFAOYSA-N 2 1 281.469 3.093 20 0 CGADMP COc1cccc([C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337284299 376190742 /nfs/dbraw/zinc/19/07/42/376190742.db2.gz YTNWZYSEASTRPW-OAHLLOKOSA-N 2 1 276.424 3.174 20 0 CGADMP COc1cccc([C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337284299 376190746 /nfs/dbraw/zinc/19/07/46/376190746.db2.gz YTNWZYSEASTRPW-OAHLLOKOSA-N 2 1 276.424 3.174 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000450601328 239992030 /nfs/dbraw/zinc/99/20/30/239992030.db2.gz PFVOKXYGWCMXLF-CQSZACIVSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000450601328 239992039 /nfs/dbraw/zinc/99/20/39/239992039.db2.gz PFVOKXYGWCMXLF-CQSZACIVSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1cccc2c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C)c[nH+]c12 ZINC000450826107 240103876 /nfs/dbraw/zinc/10/38/76/240103876.db2.gz HFGLAXUHBFHPIN-MQVJKMGUSA-N 2 1 295.430 3.311 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275496437 193059222 /nfs/dbraw/zinc/05/92/22/193059222.db2.gz LRDMMPYRYSOHEW-QZTJIDSGSA-N 2 1 270.420 3.174 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000275603131 193084518 /nfs/dbraw/zinc/08/45/18/193084518.db2.gz QGNZTLIZJJPREJ-CGTJXYLNSA-N 2 1 295.430 3.371 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275728685 193114879 /nfs/dbraw/zinc/11/48/79/193114879.db2.gz ZQRVRIRQDHQGPO-AEFFLSMTSA-N 2 1 297.446 3.365 20 0 CGADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459416204 242100047 /nfs/dbraw/zinc/10/00/47/242100047.db2.gz SPGACLMIVUSMIE-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459419751 242102019 /nfs/dbraw/zinc/10/20/19/242102019.db2.gz XBGMJLDIHSTXFA-WMLDXEAASA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000459559078 242131914 /nfs/dbraw/zinc/13/19/14/242131914.db2.gz OVJQKUNXLAZLEO-UHFFFAOYSA-N 2 1 292.854 3.407 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000459726851 242194042 /nfs/dbraw/zinc/19/40/42/242194042.db2.gz BXCOPUIYZMGNCL-HKLWWIALSA-N 2 1 294.389 3.300 20 0 CGADMP COc1ccc(F)cc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000462798777 242362946 /nfs/dbraw/zinc/36/29/46/242362946.db2.gz SGJDRZJDPYXKKO-INIZCTEOSA-N 2 1 296.430 3.290 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477918830 243061103 /nfs/dbraw/zinc/06/11/03/243061103.db2.gz PWIZNTGROVGAJN-OAHLLOKOSA-N 2 1 290.451 3.468 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698075 243121598 /nfs/dbraw/zinc/12/15/98/243121598.db2.gz ASPUOUZXNLKBNN-VQIMIIECSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000480242907 243142878 /nfs/dbraw/zinc/14/28/78/243142878.db2.gz RTRNRNBRYRZBBZ-HNNXBMFYSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000480242907 243142882 /nfs/dbraw/zinc/14/28/82/243142882.db2.gz RTRNRNBRYRZBBZ-HNNXBMFYSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C2CC2)cc1 ZINC000481302413 243186939 /nfs/dbraw/zinc/18/69/39/243186939.db2.gz CYGURETYTQBPQX-MOPGFXCFSA-N 2 1 286.463 3.246 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cncc(F)c1 ZINC000247240485 296121808 /nfs/dbraw/zinc/12/18/08/296121808.db2.gz YXMGZVKKHYIWSF-HUUCEWRRSA-N 2 1 293.430 3.383 20 0 CGADMP CC(C)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483202470 243266170 /nfs/dbraw/zinc/26/61/70/243266170.db2.gz PKDQWJINWKWDPV-CALCHBBNSA-N 2 1 296.499 3.244 20 0 CGADMP C[N@H+]1CCC[C@H]1CCN1CCSC[C@@H]1c1ccccc1 ZINC000125213329 370933169 /nfs/dbraw/zinc/93/31/69/370933169.db2.gz OCGQMQMXJNWCAJ-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC[C@@H]1c1ccccc1 ZINC000125213329 370933175 /nfs/dbraw/zinc/93/31/75/370933175.db2.gz OCGQMQMXJNWCAJ-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC[C@@H]1c1ccccc1 ZINC000125213329 370933185 /nfs/dbraw/zinc/93/31/85/370933185.db2.gz OCGQMQMXJNWCAJ-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000125213329 370933192 /nfs/dbraw/zinc/93/31/92/370933192.db2.gz OCGQMQMXJNWCAJ-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000125213329 370933198 /nfs/dbraw/zinc/93/31/98/370933198.db2.gz OCGQMQMXJNWCAJ-DLBZAZTESA-N 2 1 290.476 3.261 20 0 CGADMP C[N@H+](CCC[NH2+]Cc1cccc(O)c1)Cc1ccccc1 ZINC000019913270 368782310 /nfs/dbraw/zinc/78/23/10/368782310.db2.gz VMEFUBPOCWVTSO-UHFFFAOYSA-N 2 1 284.403 3.004 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1cccc(O)c1)Cc1ccccc1 ZINC000019913270 368782313 /nfs/dbraw/zinc/78/23/13/368782313.db2.gz VMEFUBPOCWVTSO-UHFFFAOYSA-N 2 1 284.403 3.004 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000019913274 368782633 /nfs/dbraw/zinc/78/26/33/368782633.db2.gz OCYIRMXCFSNFDC-UHFFFAOYSA-N 2 1 268.404 3.298 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccccc1OC ZINC000019942914 368788010 /nfs/dbraw/zinc/78/80/10/368788010.db2.gz BROKDNGEZPYXCL-CQSZACIVSA-N 2 1 264.413 3.078 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000034958915 368983644 /nfs/dbraw/zinc/98/36/44/368983644.db2.gz UKWITCBNQOYLFU-CCNLRDMRSA-N 2 1 272.436 3.223 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996456 369046995 /nfs/dbraw/zinc/04/69/95/369046995.db2.gz XOZASSFMMFUZNR-LSDHHAIUSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996456 369046998 /nfs/dbraw/zinc/04/69/98/369046998.db2.gz XOZASSFMMFUZNR-LSDHHAIUSA-N 2 1 296.361 3.004 20 0 CGADMP C[NH+]1CCC([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000036846342 369034727 /nfs/dbraw/zinc/03/47/27/369034727.db2.gz UHPOMLHNNRCHBV-UHFFFAOYSA-N 2 1 278.827 3.270 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996963 369048699 /nfs/dbraw/zinc/04/86/99/369048699.db2.gz AJIFWQUCXMDEPG-GVDBMIGSSA-N 2 1 258.409 3.354 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996963 369048701 /nfs/dbraw/zinc/04/87/01/369048701.db2.gz AJIFWQUCXMDEPG-GVDBMIGSSA-N 2 1 258.409 3.354 20 0 CGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000035016369 368990932 /nfs/dbraw/zinc/99/09/32/368990932.db2.gz VXPBBKIJRDLEBK-MRXNPFEDSA-N 2 1 264.388 3.207 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000037644118 369092826 /nfs/dbraw/zinc/09/28/26/369092826.db2.gz FDWMMHKDZXPBSN-STQMWFEESA-N 2 1 298.377 3.280 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000037644118 369092830 /nfs/dbraw/zinc/09/28/30/369092830.db2.gz FDWMMHKDZXPBSN-STQMWFEESA-N 2 1 298.377 3.280 20 0 CGADMP CCOc1ccccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000037997498 369136109 /nfs/dbraw/zinc/13/61/09/369136109.db2.gz RKNNIQVQMUFAJC-INIZCTEOSA-N 2 1 290.451 3.297 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)o1 ZINC000038041615 369141823 /nfs/dbraw/zinc/14/18/23/369141823.db2.gz ILXHWEITZRZZDQ-UKRRQHHQSA-N 2 1 264.413 3.361 20 0 CGADMP CCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000042577306 369225923 /nfs/dbraw/zinc/22/59/23/369225923.db2.gz YKTOCBBVMNHAJI-SVFSVNPNSA-N 2 1 250.430 3.170 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000044527607 369264100 /nfs/dbraw/zinc/26/41/00/369264100.db2.gz MHZDRWYYYSVKAZ-CQSZACIVSA-N 2 1 278.399 3.427 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000044426574 369262330 /nfs/dbraw/zinc/26/23/30/369262330.db2.gz CBTIKTPSVRLJDE-UHFFFAOYSA-N 2 1 272.314 3.019 20 0 CGADMP CC(C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000053657608 369488465 /nfs/dbraw/zinc/48/84/65/369488465.db2.gz HTMKAJHYDLUOTG-AWEZNQCLSA-N 2 1 266.454 3.206 20 0 CGADMP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000053657608 369488469 /nfs/dbraw/zinc/48/84/69/369488469.db2.gz HTMKAJHYDLUOTG-AWEZNQCLSA-N 2 1 266.454 3.206 20 0 CGADMP CC[N@H+]1CC[C@@H](NCc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128981737 370968485 /nfs/dbraw/zinc/96/84/85/370968485.db2.gz JWCRSVSDEXIGNM-NVXWUHKLSA-N 2 1 290.451 3.294 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128981737 370968499 /nfs/dbraw/zinc/96/84/99/370968499.db2.gz JWCRSVSDEXIGNM-NVXWUHKLSA-N 2 1 290.451 3.294 20 0 CGADMP C[NH+]1CCC(Nc2ccc([NH+]3CCCCC3)cc2)CC1 ZINC000057707734 369545533 /nfs/dbraw/zinc/54/55/33/369545533.db2.gz YQZSDAYUFJZAHJ-UHFFFAOYSA-N 2 1 273.424 3.183 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(F)cccc1Cl ZINC000069753998 369769574 /nfs/dbraw/zinc/76/95/74/369769574.db2.gz MQVYTLSSDAFDAT-UHFFFAOYSA-N 2 1 281.762 3.164 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000070101454 369780637 /nfs/dbraw/zinc/78/06/37/369780637.db2.gz ZYEGNFVOAAAKPS-HNNXBMFYSA-N 2 1 272.436 3.429 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000070148816 369781886 /nfs/dbraw/zinc/78/18/86/369781886.db2.gz HQJVGOCTKMXNJD-AWEZNQCLSA-N 2 1 297.240 3.152 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1 ZINC000070148816 369781889 /nfs/dbraw/zinc/78/18/89/369781889.db2.gz HQJVGOCTKMXNJD-AWEZNQCLSA-N 2 1 297.240 3.152 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070171456 369786057 /nfs/dbraw/zinc/78/60/57/369786057.db2.gz ZJQMBUVCHMEUPS-IVMMDQJWSA-N 2 1 264.388 3.336 20 0 CGADMP C[NH2+]CCC1CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000070189805 369789073 /nfs/dbraw/zinc/78/90/73/369789073.db2.gz FQBUDFMDHRTHOR-UHFFFAOYSA-N 2 1 281.469 3.088 20 0 CGADMP COCc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000088556877 370035563 /nfs/dbraw/zinc/03/55/63/370035563.db2.gz QFTDEMYINDADPO-UHFFFAOYSA-N 2 1 290.451 3.186 20 0 CGADMP CC1(C)CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079977504 369980819 /nfs/dbraw/zinc/98/08/19/369980819.db2.gz RCNQTLPTEYCNDX-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)CC[N@H+]1C ZINC000090720831 370065426 /nfs/dbraw/zinc/06/54/26/370065426.db2.gz UFUMQCPXFNEWHT-SMDDNHRTSA-N 2 1 297.240 3.021 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CC[N@H+]1C ZINC000090721204 370066591 /nfs/dbraw/zinc/06/65/91/370066591.db2.gz CNSBBWBBFIWYBW-PBHICJAKSA-N 2 1 268.404 3.412 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066372 370092925 /nfs/dbraw/zinc/09/29/25/370092925.db2.gz KQPBUSCUCPOTKU-RHSMWYFYSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066372 370092929 /nfs/dbraw/zinc/09/29/29/370092929.db2.gz KQPBUSCUCPOTKU-RHSMWYFYSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066372 370092932 /nfs/dbraw/zinc/09/29/32/370092932.db2.gz KQPBUSCUCPOTKU-RHSMWYFYSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066372 370092934 /nfs/dbraw/zinc/09/29/34/370092934.db2.gz KQPBUSCUCPOTKU-RHSMWYFYSA-N 2 1 274.408 3.037 20 0 CGADMP CC(C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000095088230 370171938 /nfs/dbraw/zinc/17/19/38/370171938.db2.gz DLNOMGRDGAWSBE-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000093645025 370154280 /nfs/dbraw/zinc/15/42/80/370154280.db2.gz KDPIPAHSPSISRL-HIFRSBDPSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3[nH]ccc32)CC[N@H+]1C ZINC000093645025 370154285 /nfs/dbraw/zinc/15/42/85/370154285.db2.gz KDPIPAHSPSISRL-HIFRSBDPSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3[nH]ccc32)CC[NH+]1C ZINC000093645025 370154291 /nfs/dbraw/zinc/15/42/91/370154291.db2.gz KDPIPAHSPSISRL-HIFRSBDPSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3[nH]ccc32)CC[NH+]1C ZINC000093645025 370154296 /nfs/dbraw/zinc/15/42/96/370154296.db2.gz KDPIPAHSPSISRL-HIFRSBDPSA-N 2 1 271.408 3.082 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010662 370165361 /nfs/dbraw/zinc/16/53/61/370165361.db2.gz ADRTYVQFKYOYQG-GOSISDBHSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1 ZINC000097861879 370256126 /nfs/dbraw/zinc/25/61/26/370256126.db2.gz YRMMAWVBIRMILQ-PBHICJAKSA-N 2 1 283.419 3.116 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000112523767 370430326 /nfs/dbraw/zinc/43/03/26/370430326.db2.gz XASOSQVUPPQZHP-INIZCTEOSA-N 2 1 295.430 3.181 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000112523767 370430335 /nfs/dbraw/zinc/43/03/35/370430335.db2.gz XASOSQVUPPQZHP-INIZCTEOSA-N 2 1 295.430 3.181 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000113516078 370476153 /nfs/dbraw/zinc/47/61/53/370476153.db2.gz ZCFMSVHSDXVSLQ-CYBMUJFWSA-N 2 1 274.433 3.285 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000129756898 371000070 /nfs/dbraw/zinc/00/00/70/371000070.db2.gz MUNNAPPQOCBMCT-MRXNPFEDSA-N 2 1 278.827 3.401 20 0 CGADMP c1cnc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2c1 ZINC000129912281 371005796 /nfs/dbraw/zinc/00/57/96/371005796.db2.gz HZBQSXPMHLSCFK-KRWDZBQOSA-N 2 1 295.430 3.153 20 0 CGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161198 371015660 /nfs/dbraw/zinc/01/56/60/371015660.db2.gz AFRSEUPLKNTLIB-IACUBPJLSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161394 371015803 /nfs/dbraw/zinc/01/58/03/371015803.db2.gz AFRSEUPLKNTLIB-MRVWCRGKSA-N 2 1 280.362 3.242 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000131934076 371140060 /nfs/dbraw/zinc/14/00/60/371140060.db2.gz QHVHEIXTTWFRKO-IAGOWNOFSA-N 2 1 252.361 3.229 20 0 CGADMP CSC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131545856 371114874 /nfs/dbraw/zinc/11/48/74/371114874.db2.gz WDXLMADXBQZUBM-OAHLLOKOSA-N 2 1 292.492 3.035 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000132030983 371147182 /nfs/dbraw/zinc/14/71/82/371147182.db2.gz WUCRACDXWDCSHO-KRWDZBQOSA-N 2 1 292.492 3.193 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000537851126 376205474 /nfs/dbraw/zinc/20/54/74/376205474.db2.gz IKPGJEHVQWKSLA-BBWFWOEESA-N 2 1 266.473 3.476 20 0 CGADMP C[NH+](CCCCF)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286471789 371505496 /nfs/dbraw/zinc/50/54/96/371505496.db2.gz PIZNAVBJDIVCPI-KRWDZBQOSA-N 2 1 278.415 3.190 20 0 CGADMP C[NH+](CCCCF)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286471789 371505504 /nfs/dbraw/zinc/50/55/04/371505504.db2.gz PIZNAVBJDIVCPI-KRWDZBQOSA-N 2 1 278.415 3.190 20 0 CGADMP CCOCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000151628045 371620118 /nfs/dbraw/zinc/62/01/18/371620118.db2.gz YBKXBZRDGGQZNR-MPGHIAIKSA-N 2 1 290.451 3.041 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC000151104663 371569966 /nfs/dbraw/zinc/56/99/66/371569966.db2.gz ZHTYDJLQDHECCX-WBVHZDCISA-N 2 1 260.425 3.459 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559520 371613685 /nfs/dbraw/zinc/61/36/85/371613685.db2.gz ASSAGBNZAPFWEE-GUTXKFCHSA-N 2 1 296.842 3.180 20 0 CGADMP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152156630 371679909 /nfs/dbraw/zinc/67/99/09/371679909.db2.gz QAECSVHOCCQCBG-UXLLHSPISA-N 2 1 260.425 3.285 20 0 CGADMP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152156630 371679917 /nfs/dbraw/zinc/67/99/17/371679917.db2.gz QAECSVHOCCQCBG-UXLLHSPISA-N 2 1 260.425 3.285 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152489446 371698515 /nfs/dbraw/zinc/69/85/15/371698515.db2.gz MRRSMNWOHVTOGO-VBHSOAQHSA-N 2 1 288.410 3.133 20 0 CGADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000337344825 214019905 /nfs/dbraw/zinc/01/99/05/214019905.db2.gz ULQWGNNLUUCSJF-BVBHFADKSA-N 2 1 299.462 3.324 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnc(C3CCC3)s2)C[C@H]1C[NH3+] ZINC000422561426 371750369 /nfs/dbraw/zinc/75/03/69/371750369.db2.gz LEBXXCJKHGZNDM-YRGRVCCFSA-N 2 1 293.480 3.216 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(C3CCC3)s2)C[C@H]1C[NH3+] ZINC000422561426 371750377 /nfs/dbraw/zinc/75/03/77/371750377.db2.gz LEBXXCJKHGZNDM-YRGRVCCFSA-N 2 1 293.480 3.216 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1F ZINC000422561465 371750630 /nfs/dbraw/zinc/75/06/30/371750630.db2.gz LIOJFYOZQOIWDX-GUTXKFCHSA-N 2 1 294.414 3.030 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1F ZINC000422561465 371750635 /nfs/dbraw/zinc/75/06/35/371750635.db2.gz LIOJFYOZQOIWDX-GUTXKFCHSA-N 2 1 294.414 3.030 20 0 CGADMP COc1ccccc1/C=C\C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422564960 371752271 /nfs/dbraw/zinc/75/22/71/371752271.db2.gz XCFPXPSWENMLBB-SGWQWERDSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422704310 371759503 /nfs/dbraw/zinc/75/95/03/371759503.db2.gz KIWUDHAVIJPRHG-DOMZBBRYSA-N 2 1 280.843 3.348 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc2[nH]c(C)c(C)c2c1)[C@@H]1CCC[NH2+]1 ZINC000422701636 371759678 /nfs/dbraw/zinc/75/96/78/371759678.db2.gz DPKDRMLAOCAHCO-WMZOPIPTSA-N 2 1 285.435 3.405 20 0 CGADMP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422731909 371773065 /nfs/dbraw/zinc/77/30/65/371773065.db2.gz OFZBZNVJKZLUEF-ROUUACIJSA-N 2 1 284.378 3.409 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cn1 ZINC000353334497 220031482 /nfs/dbraw/zinc/03/14/82/220031482.db2.gz HHMFSYPLFGEGAO-VYDXJSESSA-N 2 1 291.414 3.134 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cn1 ZINC000353334497 220031486 /nfs/dbraw/zinc/03/14/86/220031486.db2.gz HHMFSYPLFGEGAO-VYDXJSESSA-N 2 1 291.414 3.134 20 0 CGADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000422735940 371774897 /nfs/dbraw/zinc/77/48/97/371774897.db2.gz FPLKIHWOONPQTG-ZBFHGGJFSA-N 2 1 287.432 3.034 20 0 CGADMP CCc1cc(OC)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337364451 214032941 /nfs/dbraw/zinc/03/29/41/214032941.db2.gz ATCTVNOZGGORNR-UHFFFAOYSA-N 2 1 290.451 3.175 20 0 CGADMP CCc1cc(OC)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337364451 214032944 /nfs/dbraw/zinc/03/29/44/214032944.db2.gz ATCTVNOZGGORNR-UHFFFAOYSA-N 2 1 290.451 3.175 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422798441 371815443 /nfs/dbraw/zinc/81/54/43/371815443.db2.gz RBYABKQZUCEGOA-WQGACYEGSA-N 2 1 282.378 3.189 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867342 371844861 /nfs/dbraw/zinc/84/48/61/371844861.db2.gz RYIAMIOMVKVFOV-MSOLQXFVSA-N 2 1 282.387 3.448 20 0 CGADMP CC[C@@H](C)[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000154567891 371856975 /nfs/dbraw/zinc/85/69/75/371856975.db2.gz KWDLYTONUAUMFE-MRXNPFEDSA-N 2 1 289.467 3.059 20 0 CGADMP CC(C)C1CCC([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422894354 371859291 /nfs/dbraw/zinc/85/92/91/371859291.db2.gz SYJJSFGKEKLMFD-HSBZDZAISA-N 2 1 261.413 3.360 20 0 CGADMP COc1ccc([C@@H]([NH2+]CC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422901849 371860581 /nfs/dbraw/zinc/86/05/81/371860581.db2.gz SKLOKAOGHNXGDJ-ZWKOTPCHSA-N 2 1 288.435 3.268 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCSCC(C)C)C1 ZINC000154871836 371887417 /nfs/dbraw/zinc/88/74/17/371887417.db2.gz LTRSBTAJZQIBOQ-MRXNPFEDSA-N 2 1 286.529 3.429 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000154871836 371887423 /nfs/dbraw/zinc/88/74/23/371887423.db2.gz LTRSBTAJZQIBOQ-MRXNPFEDSA-N 2 1 286.529 3.429 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000154871836 371887428 /nfs/dbraw/zinc/88/74/28/371887428.db2.gz LTRSBTAJZQIBOQ-MRXNPFEDSA-N 2 1 286.529 3.429 20 0 CGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1coc2ccccc12 ZINC000422979789 371899751 /nfs/dbraw/zinc/89/97/51/371899751.db2.gz KGIBSUFRMGFJRF-KDOFPFPSSA-N 2 1 294.398 3.481 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423094511 371961707 /nfs/dbraw/zinc/96/17/07/371961707.db2.gz KGOYYXQTNASZDS-MCPWVCTESA-N 2 1 294.389 3.331 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)c2ccccc21 ZINC000423104119 371968031 /nfs/dbraw/zinc/96/80/31/371968031.db2.gz GQZURUBSINKRBV-NWDGAFQWSA-N 2 1 270.298 3.063 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423105420 371968582 /nfs/dbraw/zinc/96/85/82/371968582.db2.gz NFINGPUAFMCSKI-AAEUAGOBSA-N 2 1 286.872 3.312 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000156244642 371970357 /nfs/dbraw/zinc/97/03/57/371970357.db2.gz FRZXUGIABVJWOA-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000423171820 372001974 /nfs/dbraw/zinc/00/19/74/372001974.db2.gz QBZGZOQPNDNWHL-RDTXWAMCSA-N 2 1 268.404 3.378 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000156439322 371978936 /nfs/dbraw/zinc/97/89/36/371978936.db2.gz FXNNNROJDZMXNN-SJLPKXTDSA-N 2 1 283.419 3.317 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423135467 371984674 /nfs/dbraw/zinc/98/46/74/371984674.db2.gz UBELIIYYWXFAFP-WHOFXGATSA-N 2 1 285.366 3.230 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454546 371992280 /nfs/dbraw/zinc/99/22/80/371992280.db2.gz MMNCFCUARGXXJF-WBVHZDCISA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454546 371992288 /nfs/dbraw/zinc/99/22/88/371992288.db2.gz MMNCFCUARGXXJF-WBVHZDCISA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454546 371992291 /nfs/dbraw/zinc/99/22/91/371992291.db2.gz MMNCFCUARGXXJF-WBVHZDCISA-N 2 1 283.419 3.084 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000423206986 372030688 /nfs/dbraw/zinc/03/06/88/372030688.db2.gz XMFXIMXKYNYVOX-LLVKDONJSA-N 2 1 281.469 3.462 20 0 CGADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423216946 372035503 /nfs/dbraw/zinc/03/55/03/372035503.db2.gz SRWSQTRBYDWWPJ-SWLSCSKDSA-N 2 1 294.826 3.143 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423280459 372047846 /nfs/dbraw/zinc/04/78/46/372047846.db2.gz SPSLYENHZHABQY-GJZGRUSLSA-N 2 1 264.800 3.044 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423302512 372050263 /nfs/dbraw/zinc/05/02/63/372050263.db2.gz VPOJTANLMVJOSR-STQMWFEESA-N 2 1 284.394 3.393 20 0 CGADMP c1ccc([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423354167 372053244 /nfs/dbraw/zinc/05/32/44/372053244.db2.gz FNNIAGFMGJRZDI-BRWVUGGUSA-N 2 1 258.409 3.054 20 0 CGADMP CCCC[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000158165041 372056649 /nfs/dbraw/zinc/05/66/49/372056649.db2.gz AMPFXHSUOSBDIX-UHFFFAOYSA-N 2 1 289.467 3.060 20 0 CGADMP C[NH2+][C@@H](C)C[NH2+][C@@H](c1ccccc1C)C1CCCC1 ZINC000423389094 372058747 /nfs/dbraw/zinc/05/87/47/372058747.db2.gz LDHFVYUCEKHSCW-WMLDXEAASA-N 2 1 260.425 3.424 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000158275812 372062351 /nfs/dbraw/zinc/06/23/51/372062351.db2.gz SBEHPWBQKMZEOR-PKOBYXMFSA-N 2 1 286.463 3.248 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccsc1 ZINC000423175927 372004235 /nfs/dbraw/zinc/00/42/35/372004235.db2.gz FRDFETSGNJZYDA-CYBMUJFWSA-N 2 1 252.427 3.450 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CCO1 ZINC000157033456 372004955 /nfs/dbraw/zinc/00/49/55/372004955.db2.gz ZCJWRQOVSRZCSR-HPBDAGMYSA-N 2 1 296.499 3.290 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423175106 372005089 /nfs/dbraw/zinc/00/50/89/372005089.db2.gz CZBAZOZPEMLADG-CYBMUJFWSA-N 2 1 262.397 3.007 20 0 CGADMP COc1ncc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1Cl ZINC000423178123 372006045 /nfs/dbraw/zinc/00/60/45/372006045.db2.gz KEZMAMKFPBYPOP-NSHDSACASA-N 2 1 297.830 3.056 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cs1 ZINC000290538001 372012294 /nfs/dbraw/zinc/01/22/94/372012294.db2.gz RBVUWNCVKJZIDS-GWCFXTLKSA-N 2 1 272.845 3.174 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)C1CCCC1 ZINC000423509940 372069978 /nfs/dbraw/zinc/06/99/78/372069978.db2.gz RSDZJTWREPAEJS-IRXDYDNUSA-N 2 1 276.399 3.310 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)C1CCCC1 ZINC000423534972 372072489 /nfs/dbraw/zinc/07/24/89/372072489.db2.gz WWJJLCKKKSISKZ-GJZGRUSLSA-N 2 1 294.439 3.470 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CCO[C@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000424287044 372082043 /nfs/dbraw/zinc/08/20/43/372082043.db2.gz IGEJMLSTSDWJQN-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@@H](NC[C@H]1CC[N@@H+](CCC)C1)c1ccccn1 ZINC000158770312 372085045 /nfs/dbraw/zinc/08/50/45/372085045.db2.gz OKVWHZBEXXHEOS-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1ccccn1 ZINC000158770312 372085055 /nfs/dbraw/zinc/08/50/55/372085055.db2.gz OKVWHZBEXXHEOS-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ccccn1 ZINC000158770312 372085064 /nfs/dbraw/zinc/08/50/64/372085064.db2.gz OKVWHZBEXXHEOS-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000427606741 372173955 /nfs/dbraw/zinc/17/39/55/372173955.db2.gz NIQZPYJLRQNXBN-MSOLQXFVSA-N 2 1 274.452 3.184 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344303235 217140512 /nfs/dbraw/zinc/14/05/12/217140512.db2.gz SNMUFSAUFYXTFN-CQSZACIVSA-N 2 1 250.430 3.197 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428865274 372273719 /nfs/dbraw/zinc/27/37/19/372273719.db2.gz VVLWBDLNFBLUDG-SECBINFHSA-N 2 1 280.359 3.197 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428875797 372277639 /nfs/dbraw/zinc/27/76/39/372277639.db2.gz HJGQXYDKYICZSH-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428875797 372277643 /nfs/dbraw/zinc/27/76/43/372277643.db2.gz HJGQXYDKYICZSH-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCc3ccccc3)C2)C1 ZINC000293012488 372278300 /nfs/dbraw/zinc/27/83/00/372278300.db2.gz PVPFXHXADIZQOH-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCc3ccccc3)C2)C1 ZINC000293012488 372278306 /nfs/dbraw/zinc/27/83/06/372278306.db2.gz PVPFXHXADIZQOH-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000293012488 372278311 /nfs/dbraw/zinc/27/83/11/372278311.db2.gz PVPFXHXADIZQOH-SFHVURJKSA-N 2 1 272.436 3.037 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000293040333 372286424 /nfs/dbraw/zinc/28/64/24/372286424.db2.gz SGTUIRAIKGGTAZ-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293040333 372286428 /nfs/dbraw/zinc/28/64/28/372286428.db2.gz SGTUIRAIKGGTAZ-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293040333 372286430 /nfs/dbraw/zinc/28/64/30/372286430.db2.gz SGTUIRAIKGGTAZ-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293040333 372286436 /nfs/dbraw/zinc/28/64/36/372286436.db2.gz SGTUIRAIKGGTAZ-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293040333 372286439 /nfs/dbraw/zinc/28/64/39/372286439.db2.gz SGTUIRAIKGGTAZ-DOTOQJQBSA-N 2 1 258.409 3.165 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000161526763 372332956 /nfs/dbraw/zinc/33/29/56/372332956.db2.gz LGSFDOVMFIEZFT-WMZOPIPTSA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCSC2)c1 ZINC000161713133 372347843 /nfs/dbraw/zinc/34/78/43/372347843.db2.gz MYVBHTZDAAWLNW-MRXNPFEDSA-N 2 1 278.465 3.122 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CCC1 ZINC000429516768 372373045 /nfs/dbraw/zinc/37/30/45/372373045.db2.gz PQOCQCPEHMLWFA-OAGGEKHMSA-N 2 1 282.472 3.187 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CCC1 ZINC000429516768 372373053 /nfs/dbraw/zinc/37/30/53/372373053.db2.gz PQOCQCPEHMLWFA-OAGGEKHMSA-N 2 1 282.472 3.187 20 0 CGADMP Cc1sccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000293421453 372379567 /nfs/dbraw/zinc/37/95/67/372379567.db2.gz AKOZIFJYIJCRNW-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430958535 372410463 /nfs/dbraw/zinc/41/04/63/372410463.db2.gz YFTONIIGPXKYDL-HNAYVOBHSA-N 2 1 282.431 3.442 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOC2CCCCC2)[C@H](C)C1 ZINC000162987647 372439384 /nfs/dbraw/zinc/43/93/84/372439384.db2.gz BNBBQSLHYDZEFS-WBVHZDCISA-N 2 1 282.472 3.046 20 0 CGADMP C[C@H](OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000163356991 372463469 /nfs/dbraw/zinc/46/34/69/372463469.db2.gz QXXUCZJLENPDJA-XYJFISCASA-N 2 1 290.451 3.227 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000293750059 372467699 /nfs/dbraw/zinc/46/76/99/372467699.db2.gz QEJXWOIBJDHQHF-IKICRFKJSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163420138 372469653 /nfs/dbraw/zinc/46/96/53/372469653.db2.gz CEYIQWQBSDKRSI-FZMZJTMJSA-N 2 1 268.351 3.041 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163644646 372484440 /nfs/dbraw/zinc/48/44/40/372484440.db2.gz POSDLXYMLBCERN-QAPCUYQASA-N 2 1 290.451 3.186 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164686396 372530305 /nfs/dbraw/zinc/53/03/05/372530305.db2.gz XHCZXJWFHOWFQV-AWEZNQCLSA-N 2 1 287.407 3.331 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000164786034 372532108 /nfs/dbraw/zinc/53/21/08/372532108.db2.gz BQUPOQMSWXHOIJ-CJNGLKHVSA-N 2 1 278.415 3.033 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000166558271 372575960 /nfs/dbraw/zinc/57/59/60/372575960.db2.gz TYYFBNJVELJPPZ-CZUORRHYSA-N 2 1 264.388 3.208 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515432 372576352 /nfs/dbraw/zinc/57/63/52/372576352.db2.gz MIMADFPLIBCCIL-SUMWQHHRSA-N 2 1 276.399 3.351 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000166901888 372584568 /nfs/dbraw/zinc/58/45/68/372584568.db2.gz JRNBFGHVQAATQK-LLVKDONJSA-N 2 1 270.779 3.040 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000294146372 372595582 /nfs/dbraw/zinc/59/55/82/372595582.db2.gz HACAHOYHMWOQLM-LBPRGKRZSA-N 2 1 264.438 3.334 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000165272227 372547356 /nfs/dbraw/zinc/54/73/56/372547356.db2.gz OJKVVTSFYFRUFG-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP CC[N@H+](Cc1ccc(OC)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435388740 372756751 /nfs/dbraw/zinc/75/67/51/372756751.db2.gz HATDUGXAMHAJHI-AWEZNQCLSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435388740 372756753 /nfs/dbraw/zinc/75/67/53/372756753.db2.gz HATDUGXAMHAJHI-AWEZNQCLSA-N 2 1 296.842 3.313 20 0 CGADMP CC(C)OCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171502368 372774992 /nfs/dbraw/zinc/77/49/92/372774992.db2.gz AUHCZNJREXLJMU-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000438093666 372876538 /nfs/dbraw/zinc/87/65/38/372876538.db2.gz LRHABRHEHJTAHK-OTWHNJEPSA-N 2 1 286.463 3.427 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000353479788 220106265 /nfs/dbraw/zinc/10/62/65/220106265.db2.gz AZQMDHZHBVNMIO-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000353479788 220106267 /nfs/dbraw/zinc/10/62/67/220106267.db2.gz AZQMDHZHBVNMIO-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000353479799 220106416 /nfs/dbraw/zinc/10/64/16/220106416.db2.gz AZQMDHZHBVNMIO-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000353479799 220106418 /nfs/dbraw/zinc/10/64/18/220106418.db2.gz AZQMDHZHBVNMIO-UONOGXRCSA-N 2 1 272.502 3.228 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccccc1C ZINC000295751437 372899513 /nfs/dbraw/zinc/89/95/13/372899513.db2.gz QUFAUUOKKVKIJV-UHFFFAOYSA-N 2 1 271.408 3.065 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccccc1C ZINC000295751437 372899522 /nfs/dbraw/zinc/89/95/22/372899522.db2.gz QUFAUUOKKVKIJV-UHFFFAOYSA-N 2 1 271.408 3.065 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000353487135 220113194 /nfs/dbraw/zinc/11/31/94/220113194.db2.gz MBLBUHMEPWZELF-HUUCEWRRSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000353487135 220113196 /nfs/dbraw/zinc/11/31/96/220113196.db2.gz MBLBUHMEPWZELF-HUUCEWRRSA-N 2 1 270.461 3.044 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000353503315 220122823 /nfs/dbraw/zinc/12/28/23/220122823.db2.gz OKMWYKUYPIVRPB-NZSAHSFTSA-N 2 1 295.430 3.197 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cn1 ZINC000353534644 220141155 /nfs/dbraw/zinc/14/11/55/220141155.db2.gz IKSFIQCNSPAXGF-PBHICJAKSA-N 2 1 293.430 3.239 20 0 CGADMP Cc1noc(C)c1C(C)(C)[NH2+]CCCCn1cc[nH+]c1C ZINC000353540569 220146695 /nfs/dbraw/zinc/14/66/95/220146695.db2.gz DMZHDAYEVRLWGK-UHFFFAOYSA-N 2 1 290.411 3.101 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214957 373054796 /nfs/dbraw/zinc/05/47/96/373054796.db2.gz ZYIAMXFGZPUZGE-XNJGSVPQSA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214957 373054803 /nfs/dbraw/zinc/05/48/03/373054803.db2.gz ZYIAMXFGZPUZGE-XNJGSVPQSA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214957 373054808 /nfs/dbraw/zinc/05/48/08/373054808.db2.gz ZYIAMXFGZPUZGE-XNJGSVPQSA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214957 373054814 /nfs/dbraw/zinc/05/48/14/373054814.db2.gz ZYIAMXFGZPUZGE-XNJGSVPQSA-N 2 1 296.405 3.340 20 0 CGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000296214957 373054820 /nfs/dbraw/zinc/05/48/20/373054820.db2.gz ZYIAMXFGZPUZGE-XNJGSVPQSA-N 2 1 296.405 3.340 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442790043 373082387 /nfs/dbraw/zinc/08/23/87/373082387.db2.gz ZWTGWOKZZPKFOS-JRPNMDOOSA-N 2 1 268.351 3.085 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442790043 373082390 /nfs/dbraw/zinc/08/23/90/373082390.db2.gz ZWTGWOKZZPKFOS-JRPNMDOOSA-N 2 1 268.351 3.085 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000344829228 217324941 /nfs/dbraw/zinc/32/49/41/217324941.db2.gz NKNSDSQJIDYUIH-GDBMZVCRSA-N 2 1 264.413 3.270 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c2ccccc2O1 ZINC000296402126 373120450 /nfs/dbraw/zinc/12/04/50/373120450.db2.gz KODJVAPWTAZAFC-SSOQLKFYSA-N 2 1 288.435 3.217 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c2ccccc2O1 ZINC000296402126 373120452 /nfs/dbraw/zinc/12/04/52/373120452.db2.gz KODJVAPWTAZAFC-SSOQLKFYSA-N 2 1 288.435 3.217 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000173386363 373133695 /nfs/dbraw/zinc/13/36/95/373133695.db2.gz GCUNBEQEZZGRFG-NEPJUHHUSA-N 2 1 293.361 3.457 20 0 CGADMP CCCCc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443058313 373146036 /nfs/dbraw/zinc/14/60/36/373146036.db2.gz JZDNGPNVPQNTGG-CYBMUJFWSA-N 2 1 281.469 3.047 20 0 CGADMP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058528 373146082 /nfs/dbraw/zinc/14/60/82/373146082.db2.gz AHXRHPFAHFQGKT-KRWDZBQOSA-N 2 1 290.451 3.133 20 0 CGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057837 373146507 /nfs/dbraw/zinc/14/65/07/373146507.db2.gz IHSAOKDXANFDSV-OAHLLOKOSA-N 2 1 299.418 3.211 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCCC[C@H]1C ZINC000444659778 373224880 /nfs/dbraw/zinc/22/48/80/373224880.db2.gz FCNXCBOZAWYROV-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCCC[C@H]1C ZINC000444659778 373224885 /nfs/dbraw/zinc/22/48/85/373224885.db2.gz FCNXCBOZAWYROV-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP CCC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000296647395 373206547 /nfs/dbraw/zinc/20/65/47/373206547.db2.gz YNXZCBVLEAMADU-UHFFFAOYSA-N 2 1 258.409 3.183 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000353572710 220167662 /nfs/dbraw/zinc/16/76/62/220167662.db2.gz YTMLYLIAHZDNFW-UHFFFAOYSA-N 2 1 286.423 3.200 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000174211164 373267513 /nfs/dbraw/zinc/26/75/13/373267513.db2.gz PRRSYZIHLVLGJX-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000174211164 373267522 /nfs/dbraw/zinc/26/75/22/373267522.db2.gz PRRSYZIHLVLGJX-QGZVFWFLSA-N 2 1 290.451 3.249 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000448059238 373545019 /nfs/dbraw/zinc/54/50/19/373545019.db2.gz AKLJIZNXNDPXKF-CQSZACIVSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC)cc2)CC1 ZINC000177050711 373651188 /nfs/dbraw/zinc/65/11/88/373651188.db2.gz KQQYZQLOPPXQNA-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC)cc2)CC1 ZINC000177050711 373651197 /nfs/dbraw/zinc/65/11/97/373651197.db2.gz KQQYZQLOPPXQNA-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cc2)[C@H](C)C1 ZINC000177849410 373715915 /nfs/dbraw/zinc/71/59/15/373715915.db2.gz ZXXVDECGKNBSMX-CJNGLKHVSA-N 2 1 296.842 3.039 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(CSC)CC1 ZINC000449319183 373679430 /nfs/dbraw/zinc/67/94/30/373679430.db2.gz JFQJDOPJKNRDOY-GPANFISMSA-N 2 1 284.513 3.372 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(CSC)CC1 ZINC000449319183 373679445 /nfs/dbraw/zinc/67/94/45/373679445.db2.gz JFQJDOPJKNRDOY-GPANFISMSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000449301171 373679663 /nfs/dbraw/zinc/67/96/63/373679663.db2.gz REBNGKKEBBBMBA-FVQBIDKESA-N 2 1 282.497 3.125 20 0 CGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000449301171 373679669 /nfs/dbraw/zinc/67/96/69/373679669.db2.gz REBNGKKEBBBMBA-FVQBIDKESA-N 2 1 282.497 3.125 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCC1 ZINC000177724229 373703418 /nfs/dbraw/zinc/70/34/18/373703418.db2.gz JTXNSJAVNAVFKT-OAHLLOKOSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCC1 ZINC000177724229 373703424 /nfs/dbraw/zinc/70/34/24/373703424.db2.gz JTXNSJAVNAVFKT-OAHLLOKOSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCSc2ccc(F)cc2)CC[N@H+]1C ZINC000178168910 373751601 /nfs/dbraw/zinc/75/16/01/373751601.db2.gz RCAUDNDZARXIJG-DZGCQCFKSA-N 2 1 296.455 3.380 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cc2ccccc2o1 ZINC000178486595 373784934 /nfs/dbraw/zinc/78/49/34/373784934.db2.gz UXTWGCUMOSTNTQ-XJKCOSOUSA-N 2 1 272.392 3.251 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000178486595 373784948 /nfs/dbraw/zinc/78/49/48/373784948.db2.gz UXTWGCUMOSTNTQ-XJKCOSOUSA-N 2 1 272.392 3.251 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179680172 373903562 /nfs/dbraw/zinc/90/35/62/373903562.db2.gz IOQHLKNPNBSEKG-HNNXBMFYSA-N 2 1 278.827 3.403 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179680172 373903569 /nfs/dbraw/zinc/90/35/69/373903569.db2.gz IOQHLKNPNBSEKG-HNNXBMFYSA-N 2 1 278.827 3.403 20 0 CGADMP Cc1cc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000302326194 373853422 /nfs/dbraw/zinc/85/34/22/373853422.db2.gz SOFQIBMQHKKONX-OAHLLOKOSA-N 2 1 281.403 3.249 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000071141923 541895108 /nfs/dbraw/zinc/89/51/08/541895108.db2.gz LCVZCISYBQAVPO-HZPDHXFCSA-N 2 1 260.425 3.214 20 0 CGADMP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000302421694 373866021 /nfs/dbraw/zinc/86/60/21/373866021.db2.gz JPEPLXCPYFBJNM-KDOFPFPSSA-N 2 1 281.403 3.322 20 0 CGADMP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000302421693 373866192 /nfs/dbraw/zinc/86/61/92/373866192.db2.gz JPEPLXCPYFBJNM-KBXCAEBGSA-N 2 1 281.403 3.322 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(SC)c(OC)c1 ZINC000289536297 197394399 /nfs/dbraw/zinc/39/43/99/197394399.db2.gz WMOOCYKSFVMGPH-UHFFFAOYSA-N 2 1 296.480 3.191 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(SC)c(OC)c1 ZINC000289536297 197394400 /nfs/dbraw/zinc/39/44/00/197394400.db2.gz WMOOCYKSFVMGPH-UHFFFAOYSA-N 2 1 296.480 3.191 20 0 CGADMP C1=C(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCC1 ZINC000450443696 374132995 /nfs/dbraw/zinc/13/29/95/374132995.db2.gz VSCKZCMENNLCJS-QGZVFWFLSA-N 2 1 262.441 3.295 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCc1ccccc1 ZINC000308613740 374171371 /nfs/dbraw/zinc/17/13/71/374171371.db2.gz KTPYJFZEOFKZNV-UHFFFAOYSA-N 2 1 260.425 3.083 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452064169 374221874 /nfs/dbraw/zinc/22/18/74/374221874.db2.gz ZEXPWMNUTSZZOB-IJEWVQPXSA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000450984144 374188567 /nfs/dbraw/zinc/18/85/67/374188567.db2.gz UKYIWVJGSNIIOV-OKZBNKHCSA-N 2 1 296.499 3.265 20 0 CGADMP COc1ccccc1CCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000182594323 374296053 /nfs/dbraw/zinc/29/60/53/374296053.db2.gz PMIZDRGPAJPDPZ-UHFFFAOYSA-N 2 1 290.451 3.090 20 0 CGADMP CC(C)(C)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000079342849 541920500 /nfs/dbraw/zinc/92/05/00/541920500.db2.gz QODDSIZZJWZRGH-OAHLLOKOSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]([NH2+]Cc1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102425 374370903 /nfs/dbraw/zinc/37/09/03/374370903.db2.gz QGHREUXWPPOTRQ-ZIAGYGMSSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@@H]([NH2+]Cc1ccco1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102425 374370912 /nfs/dbraw/zinc/37/09/12/374370912.db2.gz QGHREUXWPPOTRQ-ZIAGYGMSSA-N 2 1 262.397 3.022 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C12CCCC2 ZINC000453388589 374473245 /nfs/dbraw/zinc/47/32/45/374473245.db2.gz BPSLYMSYZDFIGJ-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]1CCC[C@H](C)C1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410737 374474513 /nfs/dbraw/zinc/47/45/13/374474513.db2.gz VATOLCPDYKCMLA-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090228102 541958213 /nfs/dbraw/zinc/95/82/13/541958213.db2.gz NYUPDJRHPQVZHA-LSDHHAIUSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000090400374 541958542 /nfs/dbraw/zinc/95/85/42/541958542.db2.gz FNTMTRVHKHIODJ-JTQLQIEISA-N 2 1 281.469 3.411 20 0 CGADMP C[C@H]([N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)C1(C)CC1 ZINC000091900304 541971548 /nfs/dbraw/zinc/97/15/48/541971548.db2.gz LMNSJPKJQWTSTP-HNNXBMFYSA-N 2 1 290.451 3.247 20 0 CGADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccnc1 ZINC000185544835 374685062 /nfs/dbraw/zinc/68/50/62/374685062.db2.gz DLBJLONZWTWVCB-QGZVFWFLSA-N 2 1 286.423 3.498 20 0 CGADMP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663204 374707934 /nfs/dbraw/zinc/70/79/34/374707934.db2.gz JNFCUMZKDXQSIN-IUODEOHRSA-N 2 1 291.439 3.034 20 0 CGADMP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663204 374707937 /nfs/dbraw/zinc/70/79/37/374707937.db2.gz JNFCUMZKDXQSIN-IUODEOHRSA-N 2 1 291.439 3.034 20 0 CGADMP CCCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667237 374710612 /nfs/dbraw/zinc/71/06/12/374710612.db2.gz WJJCENQAWDKNKS-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459416209 374807529 /nfs/dbraw/zinc/80/75/29/374807529.db2.gz SPGACLMIVUSMIE-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000186176812 374807663 /nfs/dbraw/zinc/80/76/63/374807663.db2.gz ILZIFCVSIUJDIR-LBPRGKRZSA-N 2 1 293.436 3.393 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000459724931 374817525 /nfs/dbraw/zinc/81/75/25/374817525.db2.gz FIGKBPJYVOWNTE-PVAVHDDUSA-N 2 1 264.457 3.277 20 0 CGADMP C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000186497344 374864214 /nfs/dbraw/zinc/86/42/14/374864214.db2.gz OMLVXDRTOVBBHV-XUOJHOASSA-N 2 1 299.418 3.158 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](Cc1cccc3cccnc31)CC2 ZINC000334538916 374834447 /nfs/dbraw/zinc/83/44/47/374834447.db2.gz YSIYEESCSSKEIS-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](Cc1cccc3cccnc31)CC2 ZINC000334538916 374834457 /nfs/dbraw/zinc/83/44/57/374834457.db2.gz YSIYEESCSSKEIS-UHFFFAOYSA-N 2 1 295.430 3.295 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357833 541986022 /nfs/dbraw/zinc/98/60/22/541986022.db2.gz ZTJLMEDZXRNHPO-HNNXBMFYSA-N 2 1 272.436 3.384 20 0 CGADMP Cc1ccc2ncc(CN(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000334559177 374858085 /nfs/dbraw/zinc/85/80/85/374858085.db2.gz ADYWGGMRGPCGQK-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2ncc(C[N@@H+](C)[C@H]3CCN(C)[C@H](C)C3)cc2c1 ZINC000334559177 374858092 /nfs/dbraw/zinc/85/80/92/374858092.db2.gz ADYWGGMRGPCGQK-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP Cc1ccc2ncc(C[N@H+](C)[C@H]3CCN(C)[C@H](C)C3)cc2c1 ZINC000334559177 374858099 /nfs/dbraw/zinc/85/80/99/374858099.db2.gz ADYWGGMRGPCGQK-QAPCUYQASA-N 2 1 297.446 3.458 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528255 541987508 /nfs/dbraw/zinc/98/75/08/541987508.db2.gz QADILYZGGUULHW-ZFWWWQNUSA-N 2 1 258.409 3.123 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469992668 374993620 /nfs/dbraw/zinc/99/36/20/374993620.db2.gz MSJURQUUUOMIDF-GOEBONIOSA-N 2 1 252.446 3.134 20 0 CGADMP CC[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000472581070 375026205 /nfs/dbraw/zinc/02/62/05/375026205.db2.gz SSRYSMRBOVNDFF-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472581070 375026211 /nfs/dbraw/zinc/02/62/11/375026211.db2.gz SSRYSMRBOVNDFF-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472581070 375026219 /nfs/dbraw/zinc/02/62/19/375026219.db2.gz SSRYSMRBOVNDFF-JKSUJKDBSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000472748120 375032223 /nfs/dbraw/zinc/03/22/23/375032223.db2.gz ILWISOBGKBOEGX-ROUUACIJSA-N 2 1 272.436 3.350 20 0 CGADMP Cc1ccccc1OCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472852441 375036945 /nfs/dbraw/zinc/03/69/45/375036945.db2.gz RHVBOTMCJKIMGJ-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472852441 375036950 /nfs/dbraw/zinc/03/69/50/375036950.db2.gz RHVBOTMCJKIMGJ-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000472852441 375036953 /nfs/dbraw/zinc/03/69/53/375036953.db2.gz RHVBOTMCJKIMGJ-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP Cc1ccccc1OCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000472852441 375036958 /nfs/dbraw/zinc/03/69/58/375036958.db2.gz RHVBOTMCJKIMGJ-KRWDZBQOSA-N 2 1 290.451 3.180 20 0 CGADMP C[NH+]1CCC([NH2+]CCCCCc2ccc(F)cc2)CC1 ZINC000187759844 375088570 /nfs/dbraw/zinc/08/85/70/375088570.db2.gz CBQZXINBKCIOHS-UHFFFAOYSA-N 2 1 278.415 3.222 20 0 CGADMP Cc1nccnc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000187777777 375093668 /nfs/dbraw/zinc/09/36/68/375093668.db2.gz USKPELCAXGRDBZ-GJZGRUSLSA-N 2 1 290.455 3.090 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC000474483238 375115488 /nfs/dbraw/zinc/11/54/88/375115488.db2.gz UIYSDJBDANJPDY-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000484487007 375189110 /nfs/dbraw/zinc/18/91/10/375189110.db2.gz RMUUWJPZPKFEJU-RFGFWPKPSA-N 2 1 292.389 3.285 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000335999325 375604209 /nfs/dbraw/zinc/60/42/09/375604209.db2.gz JEWZDAGKCFOVFK-LCJQRQNWSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000335999325 375604216 /nfs/dbraw/zinc/60/42/16/375604216.db2.gz JEWZDAGKCFOVFK-LCJQRQNWSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)C[NH+]1CCCC1 ZINC000121100894 542015154 /nfs/dbraw/zinc/01/51/54/542015154.db2.gz GJAXXDUJIKQDJM-PXAZEXFGSA-N 2 1 294.389 3.274 20 0 CGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CC=CC3)CC2)cc1 ZINC000122044239 542022280 /nfs/dbraw/zinc/02/22/80/542022280.db2.gz PEDYEOJXEQJTSK-UHFFFAOYSA-N 2 1 288.410 3.141 20 0 CGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000192363995 375740098 /nfs/dbraw/zinc/74/00/98/375740098.db2.gz LWWNZLJXAABCOA-KRWDZBQOSA-N 2 1 288.435 3.235 20 0 CGADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)CCC1CCCCC1 ZINC000520598944 375865506 /nfs/dbraw/zinc/86/55/06/375865506.db2.gz VXPRPZIXROPCBP-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC1CCCCC1 ZINC000520598944 375865512 /nfs/dbraw/zinc/86/55/12/375865512.db2.gz VXPRPZIXROPCBP-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC1CCCCC1 ZINC000520598944 375865516 /nfs/dbraw/zinc/86/55/16/375865516.db2.gz VXPRPZIXROPCBP-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC1CCCCC1 ZINC000520598944 375865521 /nfs/dbraw/zinc/86/55/21/375865521.db2.gz VXPRPZIXROPCBP-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC1CCCCC1 ZINC000520598944 375865524 /nfs/dbraw/zinc/86/55/24/375865524.db2.gz VXPRPZIXROPCBP-GOEBONIOSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000336812247 375964634 /nfs/dbraw/zinc/96/46/34/375964634.db2.gz QQFKOBZFOOTLBQ-HOTGVXAUSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000195138417 376082015 /nfs/dbraw/zinc/08/20/15/376082015.db2.gz HKMVPPVYJRSNBT-WMZOPIPTSA-N 2 1 295.430 3.254 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)CC(C)C ZINC000337195496 376128916 /nfs/dbraw/zinc/12/89/16/376128916.db2.gz WUBTZPVXHHYOOR-CQSZACIVSA-N 2 1 251.418 3.196 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)CC(C)C ZINC000337195496 376128923 /nfs/dbraw/zinc/12/89/23/376128923.db2.gz WUBTZPVXHHYOOR-CQSZACIVSA-N 2 1 251.418 3.196 20 0 CGADMP CCc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337203768 376135096 /nfs/dbraw/zinc/13/50/96/376135096.db2.gz GVOACOJAACVJSU-UHFFFAOYSA-N 2 1 260.425 3.167 20 0 CGADMP CCc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337203768 376135103 /nfs/dbraw/zinc/13/51/03/376135103.db2.gz GVOACOJAACVJSU-UHFFFAOYSA-N 2 1 260.425 3.167 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000536874212 376138748 /nfs/dbraw/zinc/13/87/48/376138748.db2.gz AZPNXGPYRGGJIW-DRANZPFZSA-N 2 1 264.457 3.274 20 0 CGADMP CC(C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537306520 376162992 /nfs/dbraw/zinc/16/29/92/376162992.db2.gz GVZUWAHRVCDKQS-WBVHZDCISA-N 2 1 260.425 3.285 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C)C1CCOCC1 ZINC000537951888 376212016 /nfs/dbraw/zinc/21/20/16/376212016.db2.gz IDPCCGHXRQNTDH-MSOLQXFVSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CC(C)C)C1CCOCC1 ZINC000537951888 376212022 /nfs/dbraw/zinc/21/20/22/376212022.db2.gz IDPCCGHXRQNTDH-MSOLQXFVSA-N 2 1 296.499 3.292 20 0 CGADMP COc1ccc(C)cc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221830021 376221001 /nfs/dbraw/zinc/22/10/01/376221001.db2.gz HABHHZHMNUYQQK-SOUVJXGZSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221830021 376221008 /nfs/dbraw/zinc/22/10/08/376221008.db2.gz HABHHZHMNUYQQK-SOUVJXGZSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221830021 376221013 /nfs/dbraw/zinc/22/10/13/376221013.db2.gz HABHHZHMNUYQQK-SOUVJXGZSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc2c(c1)[C@@H](NCCC[N@@H+](C)C(C)C)CC2 ZINC000221914265 376224266 /nfs/dbraw/zinc/22/42/66/376224266.db2.gz DMYKIEYJMHPJJM-KRWDZBQOSA-N 2 1 276.424 3.002 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CC2 ZINC000221914265 376224273 /nfs/dbraw/zinc/22/42/73/376224273.db2.gz DMYKIEYJMHPJJM-KRWDZBQOSA-N 2 1 276.424 3.002 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CC2 ZINC000221914265 376224278 /nfs/dbraw/zinc/22/42/78/376224278.db2.gz DMYKIEYJMHPJJM-KRWDZBQOSA-N 2 1 276.424 3.002 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000538304404 376231360 /nfs/dbraw/zinc/23/13/60/376231360.db2.gz HSKTUQVKQCPMHN-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000222427056 376235939 /nfs/dbraw/zinc/23/59/39/376235939.db2.gz XQRCFHRTTBPVFG-RQJABVFESA-N 2 1 290.373 3.324 20 0 CGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000222427056 376235944 /nfs/dbraw/zinc/23/59/44/376235944.db2.gz XQRCFHRTTBPVFG-RQJABVFESA-N 2 1 290.373 3.324 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337997560 376251465 /nfs/dbraw/zinc/25/14/65/376251465.db2.gz RURWFFYKPXXDNL-YALNPMBYSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337997560 376251472 /nfs/dbraw/zinc/25/14/72/376251472.db2.gz RURWFFYKPXXDNL-YALNPMBYSA-N 2 1 264.457 3.275 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC000538751262 376267744 /nfs/dbraw/zinc/26/77/44/376267744.db2.gz YNGZSOGDAHMXGG-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000538751262 376267748 /nfs/dbraw/zinc/26/77/48/376267748.db2.gz YNGZSOGDAHMXGG-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000538751262 376267753 /nfs/dbraw/zinc/26/77/53/376267753.db2.gz YNGZSOGDAHMXGG-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1C ZINC000539510062 376316234 /nfs/dbraw/zinc/31/62/34/376316234.db2.gz WMQFVGUQOADYHW-UAGQMJEPSA-N 2 1 264.457 3.299 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000539896292 376345583 /nfs/dbraw/zinc/34/55/83/376345583.db2.gz KVPSQOWHKAKIMK-CZUORRHYSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000539896292 376345584 /nfs/dbraw/zinc/34/55/84/376345584.db2.gz KVPSQOWHKAKIMK-CZUORRHYSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000539896292 376345588 /nfs/dbraw/zinc/34/55/88/376345588.db2.gz KVPSQOWHKAKIMK-CZUORRHYSA-N 2 1 278.465 3.227 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000539059458 376289750 /nfs/dbraw/zinc/28/97/50/376289750.db2.gz CIGARLRNVQRQGW-SJLPKXTDSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccccc2F)CC1 ZINC000338256333 376298686 /nfs/dbraw/zinc/29/86/86/376298686.db2.gz KQCIWYQXFSBHNO-UHFFFAOYSA-N 2 1 294.414 3.009 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327099 376351130 /nfs/dbraw/zinc/35/11/30/376351130.db2.gz VLNLQEMYRZRQPO-XJKSGUPXSA-N 2 1 264.388 3.338 20 0 CGADMP CCC(CC)(CC)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000541091017 376420623 /nfs/dbraw/zinc/42/06/23/376420623.db2.gz TXWJMSXGTPYNKI-MRXNPFEDSA-N 2 1 298.515 3.227 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2C)CC1 ZINC000226508806 376362051 /nfs/dbraw/zinc/36/20/51/376362051.db2.gz BUVXMWWKSPWAEM-UHFFFAOYSA-N 2 1 278.415 3.488 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCC)C2)C1(C)C ZINC000540597299 376384739 /nfs/dbraw/zinc/38/47/39/376384739.db2.gz LDLPINMBNDAJAR-BRWVUGGUSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000541202641 376426774 /nfs/dbraw/zinc/42/67/74/376426774.db2.gz HUCDXNHUVSKUSB-CQSZACIVSA-N 2 1 280.481 3.484 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000541202641 376426777 /nfs/dbraw/zinc/42/67/77/376426777.db2.gz HUCDXNHUVSKUSB-CQSZACIVSA-N 2 1 280.481 3.484 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000542486968 376550035 /nfs/dbraw/zinc/55/00/35/376550035.db2.gz XEDMVESTJMZVEF-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000542486968 376550044 /nfs/dbraw/zinc/55/00/44/376550044.db2.gz XEDMVESTJMZVEF-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000542486968 376550052 /nfs/dbraw/zinc/55/00/52/376550052.db2.gz XEDMVESTJMZVEF-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000542486968 376550059 /nfs/dbraw/zinc/55/00/59/376550059.db2.gz XEDMVESTJMZVEF-YYIAUSFCSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+](Cc1csc2ccccc12)[C@@H]1CCC[NH2+]CC1 ZINC000231457622 376557460 /nfs/dbraw/zinc/55/74/60/376557460.db2.gz XMYCSQXRBIYNSM-CQSZACIVSA-N 2 1 274.433 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000542464205 376543048 /nfs/dbraw/zinc/54/30/48/376543048.db2.gz BPDFJELVUNLCJV-QAETUUGQSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000542464205 376543053 /nfs/dbraw/zinc/54/30/53/376543053.db2.gz BPDFJELVUNLCJV-QAETUUGQSA-N 2 1 266.473 3.475 20 0 CGADMP Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000235979387 376655866 /nfs/dbraw/zinc/65/58/66/376655866.db2.gz KHOLEXJBFRZWBU-LSDHHAIUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000235979387 376655869 /nfs/dbraw/zinc/65/58/69/376655869.db2.gz KHOLEXJBFRZWBU-LSDHHAIUSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000235979387 376655877 /nfs/dbraw/zinc/65/58/77/376655877.db2.gz KHOLEXJBFRZWBU-LSDHHAIUSA-N 2 1 278.827 3.365 20 0 CGADMP CC[C@@H]1C[C@H](C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CCO1 ZINC000543744431 376673600 /nfs/dbraw/zinc/67/36/00/376673600.db2.gz ICUIEXXYFAHUCT-QZTJIDSGSA-N 2 1 296.499 3.244 20 0 CGADMP CC(C)(C[NH2+]C[C@@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000236729810 376687862 /nfs/dbraw/zinc/68/78/62/376687862.db2.gz ATDVKSKIAYHXLL-OAHLLOKOSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)(C[NH2+]C[C@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000236729620 376688395 /nfs/dbraw/zinc/68/83/95/376688395.db2.gz ATDVKSKIAYHXLL-HNNXBMFYSA-N 2 1 250.430 3.197 20 0 CGADMP C[NH+](C)CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000151957212 542104421 /nfs/dbraw/zinc/10/44/21/542104421.db2.gz CEWWGERSKMPWTQ-CYBMUJFWSA-N 2 1 284.856 3.418 20 0 CGADMP Cc1cccc2c(NC[C@H]3CC[N@H+](C(C)C)C3)c(C)c[nH+]c12 ZINC000545196104 376796153 /nfs/dbraw/zinc/79/61/53/376796153.db2.gz URVJJCZJDJXBHY-MRXNPFEDSA-N 2 1 297.446 3.416 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000245532883 376844270 /nfs/dbraw/zinc/84/42/70/376844270.db2.gz IMVLDMJJYGCLDP-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000245532883 376844275 /nfs/dbraw/zinc/84/42/75/376844275.db2.gz IMVLDMJJYGCLDP-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000245532883 376844281 /nfs/dbraw/zinc/84/42/81/376844281.db2.gz IMVLDMJJYGCLDP-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245579360 376860482 /nfs/dbraw/zinc/86/04/82/376860482.db2.gz GJZNPAYWZIRZRA-AHEZYBDSSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000245579360 376860485 /nfs/dbraw/zinc/86/04/85/376860485.db2.gz GJZNPAYWZIRZRA-AHEZYBDSSA-N 2 1 272.436 3.382 20 0 CGADMP CO[C@@]1(C)C[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000245572672 376860564 /nfs/dbraw/zinc/86/05/64/376860564.db2.gz GZCKTHKURNFTTM-WBVHZDCISA-N 2 1 293.455 3.107 20 0 CGADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1(C)C ZINC000245572672 376860572 /nfs/dbraw/zinc/86/05/72/376860572.db2.gz GZCKTHKURNFTTM-WBVHZDCISA-N 2 1 293.455 3.107 20 0 CGADMP CC1=CC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000556816661 376885273 /nfs/dbraw/zinc/88/52/73/376885273.db2.gz KVNBVZUCXTYQDH-CVEARBPZSA-N 2 1 250.430 3.195 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000245714672 376890281 /nfs/dbraw/zinc/89/02/81/376890281.db2.gz CSCSQQFNORLHSH-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000245714672 376890284 /nfs/dbraw/zinc/89/02/84/376890284.db2.gz CSCSQQFNORLHSH-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000245714672 376890289 /nfs/dbraw/zinc/89/02/89/376890289.db2.gz CSCSQQFNORLHSH-ZWKOTPCHSA-N 2 1 272.436 3.220 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000245769532 376905090 /nfs/dbraw/zinc/90/50/90/376905090.db2.gz RLZILHFKNLCFCQ-YCPHGPKFSA-N 2 1 276.424 3.177 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000245884512 376924823 /nfs/dbraw/zinc/92/48/23/376924823.db2.gz LIXYJOLWKGNGDT-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000245884512 376924826 /nfs/dbraw/zinc/92/48/26/376924826.db2.gz LIXYJOLWKGNGDT-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H](C)C2 ZINC000245902902 376930623 /nfs/dbraw/zinc/93/06/23/376930623.db2.gz DWUMUPNAMPVZPM-HDMKZQKVSA-N 2 1 272.436 3.160 20 0 CGADMP CC[NH+](C/C=C/C[N@H+](CC)C1CCC1)C1CCC1 ZINC000340197798 376946141 /nfs/dbraw/zinc/94/61/41/376946141.db2.gz LJZZBCHTYSUACA-AATRIKPKSA-N 2 1 250.430 3.291 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340244021 376962245 /nfs/dbraw/zinc/96/22/45/376962245.db2.gz KFIPYIYDKBZSRR-IMJJTQAJSA-N 2 1 278.465 3.163 20 0 CGADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340244021 376962248 /nfs/dbraw/zinc/96/22/48/376962248.db2.gz KFIPYIYDKBZSRR-IMJJTQAJSA-N 2 1 278.465 3.163 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000558219430 376986423 /nfs/dbraw/zinc/98/64/23/376986423.db2.gz BJAXBFPMJOGRFK-BMFZPTHFSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000558219430 376986427 /nfs/dbraw/zinc/98/64/27/376986427.db2.gz BJAXBFPMJOGRFK-BMFZPTHFSA-N 2 1 264.457 3.275 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246604201 377060275 /nfs/dbraw/zinc/06/02/75/377060275.db2.gz GJJUNWGWVDVILD-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246604201 377060282 /nfs/dbraw/zinc/06/02/82/377060282.db2.gz GJJUNWGWVDVILD-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246604201 377060287 /nfs/dbraw/zinc/06/02/87/377060287.db2.gz GJJUNWGWVDVILD-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246604201 377060296 /nfs/dbraw/zinc/06/02/96/377060296.db2.gz GJJUNWGWVDVILD-DOTOQJQBSA-N 2 1 260.425 3.218 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4o3)CC[C@H]21 ZINC000246745647 377081195 /nfs/dbraw/zinc/08/11/95/377081195.db2.gz GXZNSLZIASPEAB-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccccc4o3)CC[C@H]21 ZINC000246745647 377081205 /nfs/dbraw/zinc/08/12/05/377081205.db2.gz GXZNSLZIASPEAB-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4o3)CC[C@H]21 ZINC000246745647 377081214 /nfs/dbraw/zinc/08/12/14/377081214.db2.gz GXZNSLZIASPEAB-DOTOQJQBSA-N 2 1 284.403 3.349 20 0 CGADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000559765760 377096467 /nfs/dbraw/zinc/09/64/67/377096467.db2.gz AUTRIAYISXFJBE-SQNIBIBYSA-N 2 1 290.451 3.083 20 0 CGADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)C ZINC000559765760 377096474 /nfs/dbraw/zinc/09/64/74/377096474.db2.gz AUTRIAYISXFJBE-SQNIBIBYSA-N 2 1 290.451 3.083 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000559879671 377103942 /nfs/dbraw/zinc/10/39/42/377103942.db2.gz UMGIYZAQLLATSV-XJCPWDRGSA-N 2 1 264.457 3.274 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000246860194 377104534 /nfs/dbraw/zinc/10/45/34/377104534.db2.gz CZNLSAZWXQMZLF-MROQNXINSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000246860194 377104541 /nfs/dbraw/zinc/10/45/41/377104541.db2.gz CZNLSAZWXQMZLF-MROQNXINSA-N 2 1 278.362 3.180 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000247004586 377135957 /nfs/dbraw/zinc/13/59/57/377135957.db2.gz KCGSHYNYFGIKEL-JONQDZQNSA-N 2 1 284.513 3.371 20 0 CGADMP CCOc1cc(C)ccc1CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247053059 377150560 /nfs/dbraw/zinc/15/05/60/377150560.db2.gz MGEAGKCBIOIYJA-DOTOQJQBSA-N 2 1 290.451 3.214 20 0 CGADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247053059 377150576 /nfs/dbraw/zinc/15/05/76/377150576.db2.gz MGEAGKCBIOIYJA-DOTOQJQBSA-N 2 1 290.451 3.214 20 0 CGADMP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000247097078 377160642 /nfs/dbraw/zinc/16/06/42/377160642.db2.gz OLNAUFQXWQZDJA-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000560514062 377162209 /nfs/dbraw/zinc/16/22/09/377162209.db2.gz CPCVENUBKIXCQA-FGTMMUONSA-N 2 1 272.436 3.082 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000247117731 377162559 /nfs/dbraw/zinc/16/25/59/377162559.db2.gz MFTUDLBMPCPVMO-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000247117731 377162568 /nfs/dbraw/zinc/16/25/68/377162568.db2.gz MFTUDLBMPCPVMO-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000247117731 377162575 /nfs/dbraw/zinc/16/25/75/377162575.db2.gz MFTUDLBMPCPVMO-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248446294 377321979 /nfs/dbraw/zinc/32/19/79/377321979.db2.gz GUVHWQSNDRLVHW-RBUKOAKNSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248446294 377321985 /nfs/dbraw/zinc/32/19/85/377321985.db2.gz GUVHWQSNDRLVHW-RBUKOAKNSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248446294 377321991 /nfs/dbraw/zinc/32/19/91/377321991.db2.gz GUVHWQSNDRLVHW-RBUKOAKNSA-N 2 1 286.463 3.344 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248503275 377332619 /nfs/dbraw/zinc/33/26/19/377332619.db2.gz UUWHAHIDNSUHEO-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248503275 377332622 /nfs/dbraw/zinc/33/26/22/377332622.db2.gz UUWHAHIDNSUHEO-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248503275 377332628 /nfs/dbraw/zinc/33/26/28/377332628.db2.gz UUWHAHIDNSUHEO-PMPSAXMXSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccc(F)cc43)CC[C@H]21 ZINC000248175022 377276541 /nfs/dbraw/zinc/27/65/41/377276541.db2.gz VLLAHMGASOPADK-OLMNPRSZSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CC[C@H]21 ZINC000248175022 377276549 /nfs/dbraw/zinc/27/65/49/377276549.db2.gz VLLAHMGASOPADK-OLMNPRSZSA-N 2 1 288.410 3.229 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000248178609 377277326 /nfs/dbraw/zinc/27/73/26/377277326.db2.gz WADDDWDJTYIHBJ-ROUUACIJSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000248199439 377279964 /nfs/dbraw/zinc/27/99/64/377279964.db2.gz YDGYQYSEHDJGFS-DYEKYZERSA-N 2 1 264.438 3.198 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3sccc32)CC[N@H+]1C ZINC000248199439 377279973 /nfs/dbraw/zinc/27/99/73/377279973.db2.gz YDGYQYSEHDJGFS-DYEKYZERSA-N 2 1 264.438 3.198 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC000248653693 377375425 /nfs/dbraw/zinc/37/54/25/377375425.db2.gz ZEQNEXUTNQNXJN-OLZOCXBDSA-N 2 1 282.453 3.139 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC000248653693 377375432 /nfs/dbraw/zinc/37/54/32/377375432.db2.gz ZEQNEXUTNQNXJN-OLZOCXBDSA-N 2 1 282.453 3.139 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248659144 377377460 /nfs/dbraw/zinc/37/74/60/377377460.db2.gz CEYILRBCHYJVBX-SJORKVTESA-N 2 1 287.451 3.481 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cnn1C(C)C ZINC000248680519 377381720 /nfs/dbraw/zinc/38/17/20/377381720.db2.gz CTFIAECJBXUNAB-NUEKZKHPSA-N 2 1 292.471 3.296 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Cl ZINC000248551674 377344836 /nfs/dbraw/zinc/34/48/36/377344836.db2.gz KQMXWSLFKZBXGK-GXTWGEPZSA-N 2 1 266.816 3.221 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@@H](C)C1 ZINC000248965032 377434502 /nfs/dbraw/zinc/43/45/02/377434502.db2.gz BPWRIXQIIWJVKN-BHYGNILZSA-N 2 1 288.435 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(C)cccc32)[C@@H](C)C1 ZINC000248965032 377434508 /nfs/dbraw/zinc/43/45/08/377434508.db2.gz BPWRIXQIIWJVKN-BHYGNILZSA-N 2 1 288.435 3.139 20 0 CGADMP COc1cc(Cl)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000563135901 377406740 /nfs/dbraw/zinc/40/67/40/377406740.db2.gz VVSOZBWYRBWEOS-IUCAKERBSA-N 2 1 291.222 3.217 20 0 CGADMP CC(C)C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000248821862 377407150 /nfs/dbraw/zinc/40/71/50/377407150.db2.gz JKQXFZMETTXIMF-GJZGRUSLSA-N 2 1 252.446 3.131 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249098962 377463968 /nfs/dbraw/zinc/46/39/68/377463968.db2.gz PCTGEVFIESGASP-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000249485834 377507745 /nfs/dbraw/zinc/50/77/45/377507745.db2.gz YBJFFHDGCPRIIO-NUJGCVRESA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000249485834 377507751 /nfs/dbraw/zinc/50/77/51/377507751.db2.gz YBJFFHDGCPRIIO-NUJGCVRESA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000249485834 377507754 /nfs/dbraw/zinc/50/77/54/377507754.db2.gz YBJFFHDGCPRIIO-NUJGCVRESA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000249485834 377507759 /nfs/dbraw/zinc/50/77/59/377507759.db2.gz YBJFFHDGCPRIIO-NUJGCVRESA-N 2 1 274.452 3.280 20 0 CGADMP C[C@H](Cc1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249485834 377507764 /nfs/dbraw/zinc/50/77/64/377507764.db2.gz YBJFFHDGCPRIIO-NUJGCVRESA-N 2 1 274.452 3.280 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC=CCC3)CC2)cc1 ZINC000088747851 249027509 /nfs/dbraw/zinc/02/75/09/249027509.db2.gz SOGUMFNZWCBDII-GOSISDBHSA-N 2 1 284.447 3.392 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000090720186 249029173 /nfs/dbraw/zinc/02/91/73/249029173.db2.gz SCEBDDBLFBNCDO-SMDDNHRTSA-N 2 1 286.341 3.278 20 0 CGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092566795 249034691 /nfs/dbraw/zinc/03/46/91/249034691.db2.gz JGIJEHXBYJKQHY-IRXDYDNUSA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422907269 249127391 /nfs/dbraw/zinc/12/73/91/249127391.db2.gz WSGIHLAPQHXVDS-ONGXEEELSA-N 2 1 295.839 3.167 20 0 CGADMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250079386 377550436 /nfs/dbraw/zinc/55/04/36/377550436.db2.gz HMNTUUFDIOKXMB-NUEKZKHPSA-N 2 1 278.827 3.350 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000514779229 249188739 /nfs/dbraw/zinc/18/87/39/249188739.db2.gz KGRFVOVONBCINM-SZMVWBNQSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000516760001 249243507 /nfs/dbraw/zinc/24/35/07/249243507.db2.gz ISLSGFPHEPGGTF-UGSOOPFHSA-N 2 1 281.403 3.137 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C1CCCC1 ZINC000515413313 249211458 /nfs/dbraw/zinc/21/14/58/249211458.db2.gz GKNCEPROIQMTLB-JQHSSLGASA-N 2 1 287.451 3.215 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000517627459 249268799 /nfs/dbraw/zinc/26/87/99/249268799.db2.gz VYZLAFMVJQAENU-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000517627459 249268801 /nfs/dbraw/zinc/26/88/01/249268801.db2.gz VYZLAFMVJQAENU-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000251903491 377603093 /nfs/dbraw/zinc/60/30/93/377603093.db2.gz XAYPCJGPECWLAW-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000251903491 377603101 /nfs/dbraw/zinc/60/31/01/377603101.db2.gz XAYPCJGPECWLAW-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000252141478 377615903 /nfs/dbraw/zinc/61/59/03/377615903.db2.gz NGSXPOGZNWYKSL-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000574157105 377625748 /nfs/dbraw/zinc/62/57/48/377625748.db2.gz PHOMVRPHNUKWTI-NSHDSACASA-N 2 1 293.461 3.042 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000574157105 377625759 /nfs/dbraw/zinc/62/57/59/377625759.db2.gz PHOMVRPHNUKWTI-NSHDSACASA-N 2 1 293.461 3.042 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252667784 377646526 /nfs/dbraw/zinc/64/65/26/377646526.db2.gz NXMIVHUKTMQWRE-OLZOCXBDSA-N 2 1 293.480 3.157 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252667784 377646537 /nfs/dbraw/zinc/64/65/37/377646537.db2.gz NXMIVHUKTMQWRE-OLZOCXBDSA-N 2 1 293.480 3.157 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252877341 377666453 /nfs/dbraw/zinc/66/64/53/377666453.db2.gz WRDRCQHNHBDGLN-TWJWRFFLSA-N 2 1 278.827 3.460 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000252891495 377669679 /nfs/dbraw/zinc/66/96/79/377669679.db2.gz KUIBXQLLSNGQBK-RHSMWYFYSA-N 2 1 274.452 3.414 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000574246949 377638158 /nfs/dbraw/zinc/63/81/58/377638158.db2.gz UTTALJGPMGGZBS-QXCFHYIPSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574246949 377638166 /nfs/dbraw/zinc/63/81/66/377638166.db2.gz UTTALJGPMGGZBS-QXCFHYIPSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574246949 377638175 /nfs/dbraw/zinc/63/81/75/377638175.db2.gz UTTALJGPMGGZBS-QXCFHYIPSA-N 2 1 284.447 3.096 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000342604696 377686901 /nfs/dbraw/zinc/68/69/01/377686901.db2.gz FFUUWPDBKWBACD-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000342604696 377686912 /nfs/dbraw/zinc/68/69/12/377686912.db2.gz FFUUWPDBKWBACD-CVEARBPZSA-N 2 1 293.455 3.107 20 0 CGADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000342717638 377754273 /nfs/dbraw/zinc/75/42/73/377754273.db2.gz ADSLIYOAZYBBKD-ROUUACIJSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000255502487 377763625 /nfs/dbraw/zinc/76/36/25/377763625.db2.gz FAZKXDSLKXESDR-SPETUUPRSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000255502487 377763629 /nfs/dbraw/zinc/76/36/29/377763629.db2.gz FAZKXDSLKXESDR-SPETUUPRSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000255502487 377763635 /nfs/dbraw/zinc/76/36/35/377763635.db2.gz FAZKXDSLKXESDR-SPETUUPRSA-N 2 1 250.430 3.003 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261694596 377840363 /nfs/dbraw/zinc/84/03/63/377840363.db2.gz NPCHEAZSTXRRET-WCUVEOEZSA-N 2 1 296.361 3.018 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261694593 377840437 /nfs/dbraw/zinc/84/04/37/377840437.db2.gz NPCHEAZSTXRRET-BQPHKTIFSA-N 2 1 296.361 3.018 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261652333 377833161 /nfs/dbraw/zinc/83/31/61/377833161.db2.gz BDOKPZWENXNHIY-ABAIWWIYSA-N 2 1 266.816 3.072 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261652333 377833167 /nfs/dbraw/zinc/83/31/67/377833167.db2.gz BDOKPZWENXNHIY-ABAIWWIYSA-N 2 1 266.816 3.072 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1cccc(Cl)c1 ZINC000261654351 377834787 /nfs/dbraw/zinc/83/47/87/377834787.db2.gz BHBDADVKCUMERR-JMSVASOKSA-N 2 1 266.816 3.113 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2C2CCCCC2)CC[NH2+]C1 ZINC000261899423 377864936 /nfs/dbraw/zinc/86/49/36/377864936.db2.gz VSYULQWNTCZKGU-HOTGVXAUSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cnccc32)[C@H](C)C1 ZINC000183355938 542230006 /nfs/dbraw/zinc/23/00/06/542230006.db2.gz FNPYCFVEUOHQPK-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cnccc32)[C@H](C)C1 ZINC000183355938 542230011 /nfs/dbraw/zinc/23/00/11/542230011.db2.gz FNPYCFVEUOHQPK-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cnccc32)[C@H](C)C1 ZINC000183355938 542230015 /nfs/dbraw/zinc/23/00/15/542230015.db2.gz FNPYCFVEUOHQPK-DNVCBOLYSA-N 2 1 297.446 3.397 20 0 CGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261957377 377873070 /nfs/dbraw/zinc/87/30/70/377873070.db2.gz OUDQNOSVFRAZQZ-RHSMWYFYSA-N 2 1 278.415 3.454 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262002287 377878063 /nfs/dbraw/zinc/87/80/63/377878063.db2.gz UGAIBSOHVSDDFG-YOEHRIQHSA-N 2 1 288.435 3.035 20 0 CGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262080976 377885343 /nfs/dbraw/zinc/88/53/43/377885343.db2.gz TWALGEPEBHYBQA-KMFMINBZSA-N 2 1 276.399 3.003 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC000262405598 377896249 /nfs/dbraw/zinc/89/62/49/377896249.db2.gz CRBSJWLWMNDRKQ-ZBFHGGJFSA-N 2 1 298.430 3.265 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261703341 377842496 /nfs/dbraw/zinc/84/24/96/377842496.db2.gz IRMNGUIRXXEJMI-FUHWJXTLSA-N 2 1 266.388 3.024 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]C1 ZINC000261778765 377853718 /nfs/dbraw/zinc/85/37/18/377853718.db2.gz NQUASGYBEOSAPG-CVEARBPZSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]C1 ZINC000261778765 377853722 /nfs/dbraw/zinc/85/37/22/377853722.db2.gz NQUASGYBEOSAPG-CVEARBPZSA-N 2 1 278.827 3.477 20 0 CGADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261805576 377855905 /nfs/dbraw/zinc/85/59/05/377855905.db2.gz OKJVQHSMZSFBNI-GOSISDBHSA-N 2 1 290.451 3.034 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261823148 377857389 /nfs/dbraw/zinc/85/73/89/377857389.db2.gz INXCCGLMKONKSX-BZPMIXESSA-N 2 1 266.816 3.113 20 0 CGADMP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)[C@H](C)C1 ZINC000343250492 377939614 /nfs/dbraw/zinc/93/96/14/377939614.db2.gz NFNSZIWYDTZZGO-CYBMUJFWSA-N 2 1 287.382 3.213 20 0 CGADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343752754 378082906 /nfs/dbraw/zinc/08/29/06/378082906.db2.gz RTSYICBDAIHQSZ-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343752754 378082913 /nfs/dbraw/zinc/08/29/13/378082913.db2.gz RTSYICBDAIHQSZ-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268810389 378117201 /nfs/dbraw/zinc/11/72/01/378117201.db2.gz NSRJLPLDSULLNK-ZBFHGGJFSA-N 2 1 290.426 3.078 20 0 CGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000579370293 378153499 /nfs/dbraw/zinc/15/34/99/378153499.db2.gz DBQJOXDYTOYARU-HUUCEWRRSA-N 2 1 281.469 3.007 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC1 ZINC000268815097 378119667 /nfs/dbraw/zinc/11/96/67/378119667.db2.gz PLHJSFNGGOJPRZ-YJBOKZPZSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC1 ZINC000268815097 378119670 /nfs/dbraw/zinc/11/96/70/378119670.db2.gz PLHJSFNGGOJPRZ-YJBOKZPZSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000268843205 378128440 /nfs/dbraw/zinc/12/84/40/378128440.db2.gz ILFXQBLZTKWGFK-CQSZACIVSA-N 2 1 294.402 3.481 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000268860029 378132326 /nfs/dbraw/zinc/13/23/26/378132326.db2.gz MJOSSVPKBUTVAU-GFCCVEGCSA-N 2 1 261.344 3.072 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000268883096 378141227 /nfs/dbraw/zinc/14/12/27/378141227.db2.gz RXHBLOBGYLUWRO-NSHDSACASA-N 2 1 279.334 3.211 20 0 CGADMP C[C@H](CCc1ccco1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000578725954 378095156 /nfs/dbraw/zinc/09/51/56/378095156.db2.gz JTAUHVIKVACFIB-CQSZACIVSA-N 2 1 264.413 3.065 20 0 CGADMP CC(C)CC[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000343799022 378095705 /nfs/dbraw/zinc/09/57/05/378095705.db2.gz QGZSNTCSESIRLQ-HNNXBMFYSA-N 2 1 265.445 3.403 20 0 CGADMP CN(CCC[N@@H+](C)Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000343811864 378099436 /nfs/dbraw/zinc/09/94/36/378099436.db2.gz RXECKTYTEKCZFQ-UHFFFAOYSA-N 2 1 298.390 3.114 20 0 CGADMP CC(C)[C@H](C[NH2+]CCC[NH+]1CCC1)c1ccccc1 ZINC000579374740 378155412 /nfs/dbraw/zinc/15/54/12/378155412.db2.gz XKRPRHLXZJUWLA-KRWDZBQOSA-N 2 1 260.425 3.112 20 0 CGADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000580097498 378224594 /nfs/dbraw/zinc/22/45/94/378224594.db2.gz PHYPCSYYJVXNSY-XHSDSOJGSA-N 2 1 296.499 3.026 20 0 CGADMP C[C@H](Nc1cc[nH+]cc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000579419145 378158710 /nfs/dbraw/zinc/15/87/10/378158710.db2.gz FCZJEIQFGXHMFY-BLLLJJGKSA-N 2 1 289.810 3.260 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000583572504 378332844 /nfs/dbraw/zinc/33/28/44/378332844.db2.gz LGCPLKUGKLYMCI-OAHLLOKOSA-N 2 1 275.421 3.251 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000583572504 378332848 /nfs/dbraw/zinc/33/28/48/378332848.db2.gz LGCPLKUGKLYMCI-OAHLLOKOSA-N 2 1 275.421 3.251 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000270602385 378374536 /nfs/dbraw/zinc/37/45/36/378374536.db2.gz HBKSVMHQOKKDGB-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000270602385 378374539 /nfs/dbraw/zinc/37/45/39/378374539.db2.gz HBKSVMHQOKKDGB-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000584433966 378383769 /nfs/dbraw/zinc/38/37/69/378383769.db2.gz XSRSKYRHUCNLAE-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000584433966 378383775 /nfs/dbraw/zinc/38/37/75/378383775.db2.gz XSRSKYRHUCNLAE-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000584433966 378383782 /nfs/dbraw/zinc/38/37/82/378383782.db2.gz XSRSKYRHUCNLAE-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000270671516 378385660 /nfs/dbraw/zinc/38/56/60/378385660.db2.gz SHLKCIBYFICRHV-UHFFFAOYSA-N 2 1 261.413 3.260 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000270671516 378385666 /nfs/dbraw/zinc/38/56/66/378385666.db2.gz SHLKCIBYFICRHV-UHFFFAOYSA-N 2 1 261.413 3.260 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000584457281 378387008 /nfs/dbraw/zinc/38/70/08/378387008.db2.gz WORXTZRHFRYNNG-IIDMSEBBSA-N 2 1 272.436 3.384 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000270683468 378387482 /nfs/dbraw/zinc/38/74/82/378387482.db2.gz VAFFTEZODQVTPY-BBRMVZONSA-N 2 1 287.407 3.430 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000270683468 378387486 /nfs/dbraw/zinc/38/74/86/378387486.db2.gz VAFFTEZODQVTPY-BBRMVZONSA-N 2 1 287.407 3.430 20 0 CGADMP CCc1cnc(C[NH+]2CCC(C[NH+](CC)CC)CC2)s1 ZINC000346132597 378472925 /nfs/dbraw/zinc/47/29/25/378472925.db2.gz CKLGFCLFTDYIRX-UHFFFAOYSA-N 2 1 295.496 3.259 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ncccc3c2)C1 ZINC000271188712 378476537 /nfs/dbraw/zinc/47/65/37/378476537.db2.gz OOWZQSNJPSHQIS-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000271188712 378476543 /nfs/dbraw/zinc/47/65/43/378476543.db2.gz OOWZQSNJPSHQIS-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000271188712 378476547 /nfs/dbraw/zinc/47/65/47/378476547.db2.gz OOWZQSNJPSHQIS-INIZCTEOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346193262 378498905 /nfs/dbraw/zinc/49/89/05/378498905.db2.gz FQJALSCKRHKCQK-CZUORRHYSA-N 2 1 284.407 3.196 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCn1cc[nH+]c1C ZINC000346319400 378542151 /nfs/dbraw/zinc/54/21/51/378542151.db2.gz XWGUPGIUDSRUCS-SFHVURJKSA-N 2 1 285.435 3.453 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000346319400 378542158 /nfs/dbraw/zinc/54/21/58/378542158.db2.gz XWGUPGIUDSRUCS-SFHVURJKSA-N 2 1 285.435 3.453 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000346400388 378567904 /nfs/dbraw/zinc/56/79/04/378567904.db2.gz ZTPZTVIYROXZGY-INIZCTEOSA-N 2 1 298.434 3.444 20 0 CGADMP C[C@H](NCc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272166855 378575461 /nfs/dbraw/zinc/57/54/61/378575461.db2.gz HAXFHGXBCQXCTM-RDJZCZTQSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@H]([NH2+]Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272166855 378575464 /nfs/dbraw/zinc/57/54/64/378575464.db2.gz HAXFHGXBCQXCTM-RDJZCZTQSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@H]([NH2+]Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272166855 378575468 /nfs/dbraw/zinc/57/54/68/378575468.db2.gz HAXFHGXBCQXCTM-RDJZCZTQSA-N 2 1 284.403 3.280 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000346592828 378637143 /nfs/dbraw/zinc/63/71/43/378637143.db2.gz KFBVMOQLHDEQLX-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC1CC1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000346592828 378637149 /nfs/dbraw/zinc/63/71/49/378637149.db2.gz KFBVMOQLHDEQLX-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000346484256 378592891 /nfs/dbraw/zinc/59/28/91/378592891.db2.gz MVRVXEHGNYNWCO-MAUKXSAKSA-N 2 1 290.451 3.184 20 0 CGADMP C[C@@H]([NH2+]Cc1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272241275 378594460 /nfs/dbraw/zinc/59/44/60/378594460.db2.gz WOVBHQFRFZPWBC-VQIMIIECSA-N 2 1 295.430 3.082 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1F ZINC000272308884 378608943 /nfs/dbraw/zinc/60/89/43/378608943.db2.gz REVDCCVYDBBVLS-MRXNPFEDSA-N 2 1 275.371 3.462 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000346562551 378621516 /nfs/dbraw/zinc/62/15/16/378621516.db2.gz NSLYNYQIYSOEMA-ULQDDVLXSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000346647182 378660792 /nfs/dbraw/zinc/66/07/92/378660792.db2.gz FVFPRVGWKDFQEV-UONOGXRCSA-N 2 1 299.393 3.057 20 0 CGADMP Cc1scc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1C ZINC000637997341 378661034 /nfs/dbraw/zinc/66/10/34/378661034.db2.gz BELSJOISANPCGR-UHFFFAOYSA-N 2 1 266.454 3.327 20 0 CGADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1SC ZINC000346650447 378661224 /nfs/dbraw/zinc/66/12/24/378661224.db2.gz CHOZQMAEXDBIHF-CQSZACIVSA-N 2 1 296.480 3.222 20 0 CGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346657919 378664510 /nfs/dbraw/zinc/66/45/10/378664510.db2.gz HIAHWEWWDVXALN-INIZCTEOSA-N 2 1 294.487 3.060 20 0 CGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346657919 378664513 /nfs/dbraw/zinc/66/45/13/378664513.db2.gz HIAHWEWWDVXALN-INIZCTEOSA-N 2 1 294.487 3.060 20 0 CGADMP C[N@H+](Cc1cnc(-c2ccsc2)s1)CC(C)(C)C[NH3+] ZINC000346692444 378677079 /nfs/dbraw/zinc/67/70/79/378677079.db2.gz YZPAVZSMYOLXGP-UHFFFAOYSA-N 2 1 295.477 3.288 20 0 CGADMP C[N@@H+](Cc1cnc(-c2ccsc2)s1)CC(C)(C)C[NH3+] ZINC000346692444 378677082 /nfs/dbraw/zinc/67/70/82/378677082.db2.gz YZPAVZSMYOLXGP-UHFFFAOYSA-N 2 1 295.477 3.288 20 0 CGADMP C(C1CCSCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104296 378700371 /nfs/dbraw/zinc/70/03/71/378700371.db2.gz GIMWTRFJKZAOLO-INIZCTEOSA-N 2 1 282.497 3.080 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNc3ccccc32)CC[N@@H+]1C ZINC000348039924 378761222 /nfs/dbraw/zinc/76/12/22/378761222.db2.gz GDBUPWIPKGRBSL-CPUCHLNUSA-N 2 1 273.424 3.006 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNc3ccccc32)CC[N@H+]1C ZINC000348039924 378761230 /nfs/dbraw/zinc/76/12/30/378761230.db2.gz GDBUPWIPKGRBSL-CPUCHLNUSA-N 2 1 273.424 3.006 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CC1(F)F ZINC000638300902 378761717 /nfs/dbraw/zinc/76/17/17/378761717.db2.gz LCFVDZVPFHYHBG-GXTWGEPZSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)sn1 ZINC000638367360 378781070 /nfs/dbraw/zinc/78/10/70/378781070.db2.gz UOZNTSOHQMHFIW-AWEZNQCLSA-N 2 1 281.469 3.196 20 0 CGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348099283 378791686 /nfs/dbraw/zinc/79/16/86/378791686.db2.gz BAZULKAZVAHHQE-XQLPTFJDSA-N 2 1 250.430 3.028 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638408431 378793590 /nfs/dbraw/zinc/79/35/90/378793590.db2.gz AYCVVDHUXQGBRU-MRXNPFEDSA-N 2 1 290.451 3.166 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CC2(F)F)c1 ZINC000638563240 378835226 /nfs/dbraw/zinc/83/52/26/378835226.db2.gz KXNSUNDTTYJIJG-IUODEOHRSA-N 2 1 282.378 3.272 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638563239 378835386 /nfs/dbraw/zinc/83/53/86/378835386.db2.gz KXNSUNDTTYJIJG-DOMZBBRYSA-N 2 1 282.378 3.272 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC000638563212 378835677 /nfs/dbraw/zinc/83/56/77/378835677.db2.gz JXNYYUQXGDBYRU-CJNGLKHVSA-N 2 1 278.465 3.122 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)oc4ccccc43)C[C@@H]12 ZINC000346830912 218029499 /nfs/dbraw/zinc/02/94/99/218029499.db2.gz PPTJOZNTFSDQRV-MPKXVKKWSA-N 2 1 290.794 3.255 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346851141 218036252 /nfs/dbraw/zinc/03/62/52/218036252.db2.gz QOALTKPADLMXIQ-AEFFLSMTSA-N 2 1 272.436 3.002 20 0 CGADMP C[N@H+](CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CCCC1 ZINC000348240499 378857093 /nfs/dbraw/zinc/85/70/93/378857093.db2.gz ICULADVAOZXLQU-SJLPKXTDSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CCCC1 ZINC000348240499 378857101 /nfs/dbraw/zinc/85/71/01/378857101.db2.gz ICULADVAOZXLQU-SJLPKXTDSA-N 2 1 272.436 3.254 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000274469957 378838088 /nfs/dbraw/zinc/83/80/88/378838088.db2.gz VILRPYZPHGJAFD-UKRRQHHQSA-N 2 1 278.465 3.371 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000348302437 378895447 /nfs/dbraw/zinc/89/54/47/378895447.db2.gz NKGCHKIODHDRDM-NVXWUHKLSA-N 2 1 293.430 3.211 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000278509813 194019206 /nfs/dbraw/zinc/01/92/06/194019206.db2.gz PMLRKTMVGOAHEJ-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000278509813 194019208 /nfs/dbraw/zinc/01/92/08/194019208.db2.gz PMLRKTMVGOAHEJ-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000278509813 194019210 /nfs/dbraw/zinc/01/92/10/194019210.db2.gz PMLRKTMVGOAHEJ-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000278509813 194019211 /nfs/dbraw/zinc/01/92/11/194019211.db2.gz PMLRKTMVGOAHEJ-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000566961393 322144716 /nfs/dbraw/zinc/14/47/16/322144716.db2.gz HUIZHRPRTJADGM-GXTWGEPZSA-N 2 1 266.454 3.047 20 0 CGADMP F[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000348387228 378936877 /nfs/dbraw/zinc/93/68/77/378936877.db2.gz GBRFXFPYXMYAFT-SJLPKXTDSA-N 2 1 290.426 3.174 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1C ZINC000346985494 218079572 /nfs/dbraw/zinc/07/95/72/218079572.db2.gz OTPDVJKHUJWYGX-AEFFLSMTSA-N 2 1 272.436 3.440 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347036516 218100120 /nfs/dbraw/zinc/10/01/20/218100120.db2.gz GZAFJCOEADXGBP-ZBFHGGJFSA-N 2 1 276.424 3.035 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347036516 218100121 /nfs/dbraw/zinc/10/01/21/218100121.db2.gz GZAFJCOEADXGBP-ZBFHGGJFSA-N 2 1 276.424 3.035 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000347043468 218102934 /nfs/dbraw/zinc/10/29/34/218102934.db2.gz MWDVQBIZHPTRAI-QAPCUYQASA-N 2 1 290.451 3.281 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000347334682 218193714 /nfs/dbraw/zinc/19/37/14/218193714.db2.gz RYJMOHBPFHIGBD-MRXNPFEDSA-N 2 1 262.441 3.185 20 0 CGADMP Cn1c(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc2ccccc21 ZINC000639123724 379049508 /nfs/dbraw/zinc/04/95/08/379049508.db2.gz DCTVGZPTNGPWDW-UHFFFAOYSA-N 2 1 297.446 3.285 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277103527 379069838 /nfs/dbraw/zinc/06/98/38/379069838.db2.gz GRKJWNDNNVXEPM-HZPDHXFCSA-N 2 1 260.425 3.472 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CCCn2ccnc2C)C1 ZINC000370790136 379071222 /nfs/dbraw/zinc/07/12/22/379071222.db2.gz ZHVUUEVSRHSKKL-HNNXBMFYSA-N 2 1 281.469 3.189 20 0 CGADMP CCS[C@H]1CCCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000370790136 379071225 /nfs/dbraw/zinc/07/12/25/379071225.db2.gz ZHVUUEVSRHSKKL-HNNXBMFYSA-N 2 1 281.469 3.189 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000370790136 379071228 /nfs/dbraw/zinc/07/12/28/379071228.db2.gz ZHVUUEVSRHSKKL-HNNXBMFYSA-N 2 1 281.469 3.189 20 0 CGADMP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c(C)c1 ZINC000277239097 379108397 /nfs/dbraw/zinc/10/83/97/379108397.db2.gz UMCZCUXCRAQMMU-UHFFFAOYSA-N 2 1 272.396 3.066 20 0 CGADMP CCCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCC1 ZINC000639177123 379096267 /nfs/dbraw/zinc/09/62/67/379096267.db2.gz AZOPWFGIERPJCV-BMFZPTHFSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC1 ZINC000639177123 379096274 /nfs/dbraw/zinc/09/62/74/379096274.db2.gz AZOPWFGIERPJCV-BMFZPTHFSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277350457 379137764 /nfs/dbraw/zinc/13/77/64/379137764.db2.gz WRIJPZAJUJRPDM-DOTOQJQBSA-N 2 1 260.425 3.472 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccccn2)CC1 ZINC000371317620 379138626 /nfs/dbraw/zinc/13/86/26/379138626.db2.gz CTEUKXSDBADCDG-KRWDZBQOSA-N 2 1 287.451 3.135 20 0 CGADMP FC(F)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371352112 379144464 /nfs/dbraw/zinc/14/44/64/379144464.db2.gz FEXASMPSUMGQET-UHFFFAOYSA-N 2 1 294.389 3.240 20 0 CGADMP C[N@@H+](CCCn1ccnc1)Cc1coc2ccccc12 ZINC000349350853 379242769 /nfs/dbraw/zinc/24/27/69/379242769.db2.gz PLJFLDYNYXGTIL-UHFFFAOYSA-N 2 1 269.348 3.151 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CCCC(C)(C)C)CC[NH2+]CC2 ZINC000424290419 296294458 /nfs/dbraw/zinc/29/44/58/296294458.db2.gz MNGVVZAQZPDBLA-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1CC1CCCCCC1)CC[NH2+]CC2 ZINC000424293034 296294641 /nfs/dbraw/zinc/29/46/41/296294641.db2.gz PGNZOVUIPOHTIM-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000349379219 379258820 /nfs/dbraw/zinc/25/88/20/379258820.db2.gz BMNWTODYOSODLG-ROUUACIJSA-N 2 1 283.419 3.317 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000349379219 379258828 /nfs/dbraw/zinc/25/88/28/379258828.db2.gz BMNWTODYOSODLG-ROUUACIJSA-N 2 1 283.419 3.317 20 0 CGADMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C1CC1 ZINC000639311285 379263674 /nfs/dbraw/zinc/26/36/74/379263674.db2.gz KAVQVXHBPPTNDW-TZMCWYRMSA-N 2 1 259.397 3.162 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2nc(C)ccc2c1 ZINC000349415196 379273270 /nfs/dbraw/zinc/27/32/70/379273270.db2.gz HUPBENMVZFWZDE-UHFFFAOYSA-N 2 1 285.435 3.317 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C2 ZINC000278920796 194213988 /nfs/dbraw/zinc/21/39/88/194213988.db2.gz HYZOQJJPZZOLQC-AEFFLSMTSA-N 2 1 295.430 3.056 20 0 CGADMP Cc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CCC2)o1 ZINC000349779931 379381223 /nfs/dbraw/zinc/38/12/23/379381223.db2.gz BCISWNLUMNBECL-QGZVFWFLSA-N 2 1 274.408 3.281 20 0 CGADMP Cc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639681813 379545448 /nfs/dbraw/zinc/54/54/48/379545448.db2.gz ZHXPPEBRVCYYHO-UHFFFAOYSA-N 2 1 281.403 3.102 20 0 CGADMP CCCc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639759867 379571819 /nfs/dbraw/zinc/57/18/19/379571819.db2.gz MDPJXRHJDUIGFC-UHFFFAOYSA-N 2 1 293.480 3.013 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757629 379572125 /nfs/dbraw/zinc/57/21/25/379572125.db2.gz JYCMMZZUPTWBIM-CQSZACIVSA-N 2 1 276.399 3.304 20 0 CGADMP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000267186712 190310165 /nfs/dbraw/zinc/31/01/65/190310165.db2.gz CRFWTWFCUQJDTD-LBPRGKRZSA-N 2 1 275.421 3.074 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000267186712 190310166 /nfs/dbraw/zinc/31/01/66/190310166.db2.gz CRFWTWFCUQJDTD-LBPRGKRZSA-N 2 1 275.421 3.074 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000640105631 379720775 /nfs/dbraw/zinc/72/07/75/379720775.db2.gz HSXJMSGERMYDMH-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000640105631 379720780 /nfs/dbraw/zinc/72/07/80/379720780.db2.gz HSXJMSGERMYDMH-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280425427 379704460 /nfs/dbraw/zinc/70/44/60/379704460.db2.gz ZQVXUEGYSFMVCG-KRWDZBQOSA-N 2 1 275.440 3.244 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280805455 379794787 /nfs/dbraw/zinc/79/47/87/379794787.db2.gz LHLRPZVXQHIYDB-XLAORIBOSA-N 2 1 270.420 3.149 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280857502 379807384 /nfs/dbraw/zinc/80/73/84/379807384.db2.gz MYMLVAZRDBYDAJ-KDOFPFPSSA-N 2 1 298.434 3.354 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280857499 379807610 /nfs/dbraw/zinc/80/76/10/379807610.db2.gz MYMLVAZRDBYDAJ-KBXCAEBGSA-N 2 1 298.434 3.354 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000377977929 379762213 /nfs/dbraw/zinc/76/22/13/379762213.db2.gz PVBIKIIYYHGHJY-OAHLLOKOSA-N 2 1 261.413 3.284 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CCCC2)CC1 ZINC000352341674 379773160 /nfs/dbraw/zinc/77/31/60/379773160.db2.gz IDAYEROOFQEXKX-UHFFFAOYSA-N 2 1 274.408 3.423 20 0 CGADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352527174 379844965 /nfs/dbraw/zinc/84/49/65/379844965.db2.gz XKSMZNMZCYJSDC-LJQANCHMSA-N 2 1 280.415 3.415 20 0 CGADMP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352525636 379845000 /nfs/dbraw/zinc/84/50/00/379845000.db2.gz HTRRILMNCPPIJU-HNNXBMFYSA-N 2 1 298.352 3.281 20 0 CGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352525636 379845005 /nfs/dbraw/zinc/84/50/05/379845005.db2.gz HTRRILMNCPPIJU-HNNXBMFYSA-N 2 1 298.352 3.281 20 0 CGADMP COc1c(C)cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1C ZINC000352534285 379846763 /nfs/dbraw/zinc/84/67/63/379846763.db2.gz FAQRGKDXYFMQDE-INIZCTEOSA-N 2 1 276.424 3.015 20 0 CGADMP [NH3+]CCC[N@H+](Cc1cccs1)CC1CCCC1 ZINC000352534416 379847039 /nfs/dbraw/zinc/84/70/39/379847039.db2.gz GKUWXKLAPSMKJU-UHFFFAOYSA-N 2 1 252.427 3.089 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000352540988 379848100 /nfs/dbraw/zinc/84/81/00/379848100.db2.gz RYPZLEFNQMFNRC-SFHVURJKSA-N 2 1 295.430 3.452 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000282189671 379870282 /nfs/dbraw/zinc/87/02/82/379870282.db2.gz NGAGKYWTWZLNPL-OALUTQOASA-N 2 1 298.474 3.473 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1C ZINC000352713244 379920017 /nfs/dbraw/zinc/92/00/17/379920017.db2.gz RKSPAFVYIHNULU-HZSPNIEDSA-N 2 1 295.496 3.367 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC(F)(F)F ZINC000402586093 379968641 /nfs/dbraw/zinc/96/86/41/379968641.db2.gz WJVKKQZRSDTMMD-WOPDTQHZSA-N 2 1 266.351 3.037 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000267578032 190339010 /nfs/dbraw/zinc/33/90/10/190339010.db2.gz KAXRVENLUQXKJB-RVKKMQEKSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000267578032 190339011 /nfs/dbraw/zinc/33/90/11/190339011.db2.gz KAXRVENLUQXKJB-RVKKMQEKSA-N 2 1 272.436 3.285 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000352838913 379994808 /nfs/dbraw/zinc/99/48/08/379994808.db2.gz HBXVVLCCRVFVSW-RYUDHWBXSA-N 2 1 282.478 3.186 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000352838913 379994810 /nfs/dbraw/zinc/99/48/10/379994810.db2.gz HBXVVLCCRVFVSW-RYUDHWBXSA-N 2 1 282.478 3.186 20 0 CGADMP C[C@@H](C[N@@H+](C)CC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC000409445694 380032936 /nfs/dbraw/zinc/03/29/36/380032936.db2.gz HJRDQJULMOAVAL-RDJZCZTQSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@@H](C[NH+](C)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000409445694 380032940 /nfs/dbraw/zinc/03/29/40/380032940.db2.gz HJRDQJULMOAVAL-RDJZCZTQSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@@H](C[NH+](C)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000409445694 380032943 /nfs/dbraw/zinc/03/29/43/380032943.db2.gz HJRDQJULMOAVAL-RDJZCZTQSA-N 2 1 260.425 3.206 20 0 CGADMP CS[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C(C)(C)C ZINC000353157972 380145099 /nfs/dbraw/zinc/14/50/99/380145099.db2.gz YJPXQPFOJZAPAW-CQSZACIVSA-N 2 1 281.469 3.015 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000353130229 380130856 /nfs/dbraw/zinc/13/08/56/380130856.db2.gz OERAGPTYANSFDU-SQWLQELKSA-N 2 1 273.424 3.206 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000353449709 380208873 /nfs/dbraw/zinc/20/88/73/380208873.db2.gz RONLYFAZRAREQJ-UAGQMJEPSA-N 2 1 276.399 3.097 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C)C[C@H]1C ZINC000353769280 380222053 /nfs/dbraw/zinc/22/20/53/380222053.db2.gz RBWRAUILTIYKQT-NVXWUHKLSA-N 2 1 289.467 3.057 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C)C[C@H]1C ZINC000353769280 380222057 /nfs/dbraw/zinc/22/20/57/380222057.db2.gz RBWRAUILTIYKQT-NVXWUHKLSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2N(C)C)C[C@H]1C ZINC000353769280 380222060 /nfs/dbraw/zinc/22/20/60/380222060.db2.gz RBWRAUILTIYKQT-NVXWUHKLSA-N 2 1 289.467 3.057 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N(C)C)C[C@H]1C ZINC000353769280 380222063 /nfs/dbraw/zinc/22/20/63/380222063.db2.gz RBWRAUILTIYKQT-NVXWUHKLSA-N 2 1 289.467 3.057 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000643498653 380320303 /nfs/dbraw/zinc/32/03/03/380320303.db2.gz SNSKAUCVRPEYNT-LLVKDONJSA-N 2 1 267.442 3.154 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354078321 380311372 /nfs/dbraw/zinc/31/13/72/380311372.db2.gz PYKXODSNOBVJIV-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354078321 380311384 /nfs/dbraw/zinc/31/13/84/380311384.db2.gz PYKXODSNOBVJIV-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354078321 380311389 /nfs/dbraw/zinc/31/13/89/380311389.db2.gz PYKXODSNOBVJIV-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354078321 380311395 /nfs/dbraw/zinc/31/13/95/380311395.db2.gz PYKXODSNOBVJIV-OAHLLOKOSA-N 2 1 278.465 3.220 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000643467483 380315015 /nfs/dbraw/zinc/31/50/15/380315015.db2.gz KJKZAIVWHJJZMG-HRCADAONSA-N 2 1 296.842 3.277 20 0 CGADMP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cnn1C(C)C ZINC000643548794 380365335 /nfs/dbraw/zinc/36/53/35/380365335.db2.gz VHEIQRJYQIPPEV-HIFRSBDPSA-N 2 1 290.455 3.098 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccsc2)CC[NH2+]1 ZINC000414676594 380367196 /nfs/dbraw/zinc/36/71/96/380367196.db2.gz NXUBSWVENDMFHT-VNHYZAJKSA-N 2 1 264.438 3.273 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414684819 380373053 /nfs/dbraw/zinc/37/30/53/380373053.db2.gz WXMCTLVWZPRKAX-INMHGKMJSA-N 2 1 258.409 3.212 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414687918 380375259 /nfs/dbraw/zinc/37/52/59/380375259.db2.gz CSNHTMLGGGQRDR-XGUBFFRZSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414698557 380380046 /nfs/dbraw/zinc/38/00/46/380380046.db2.gz DBQPMGQLLOPUJE-HRCADAONSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCC[NH3+] ZINC000414706513 380381526 /nfs/dbraw/zinc/38/15/26/380381526.db2.gz YAOVXBNEGQGQEM-CQSZACIVSA-N 2 1 254.805 3.318 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000414707495 380381691 /nfs/dbraw/zinc/38/16/91/380381691.db2.gz ODUJRJUVOVCPFN-NEPJUHHUSA-N 2 1 254.805 3.113 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414710114 380383025 /nfs/dbraw/zinc/38/30/25/380383025.db2.gz RVTIGKYHLNLNNH-IAGOWNOFSA-N 2 1 290.451 3.084 20 0 CGADMP CC[N@@H+](CCC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000414737748 380388827 /nfs/dbraw/zinc/38/88/27/380388827.db2.gz DLZUQESZXGRUQZ-UHFFFAOYSA-N 2 1 261.196 3.164 20 0 CGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528690 380344282 /nfs/dbraw/zinc/34/42/82/380344282.db2.gz NCBKSPUCRLIJCV-NWDGAFQWSA-N 2 1 252.427 3.185 20 0 CGADMP CCCc1cccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c1 ZINC000414651104 380351919 /nfs/dbraw/zinc/35/19/19/380351919.db2.gz DZZRNYIEMSIFRB-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414652743 380352496 /nfs/dbraw/zinc/35/24/96/380352496.db2.gz HBTKXKAGHXVDFR-PQUAAJSLSA-N 2 1 272.436 3.241 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000643545911 380358162 /nfs/dbraw/zinc/35/81/62/380358162.db2.gz FKXCNRLHRDWXDX-STQMWFEESA-N 2 1 262.397 3.167 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000414663077 380358652 /nfs/dbraw/zinc/35/86/52/380358652.db2.gz AQUCTLICEVOKOG-YDHLFZDLSA-N 2 1 298.352 3.183 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2(c3ccccc3)CC2)CC[NH2+]1 ZINC000414760133 380395393 /nfs/dbraw/zinc/39/53/93/380395393.db2.gz YANCUEARXMIJFQ-HOTGVXAUSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)C[C@H](C[NH2+][C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000414812829 380424351 /nfs/dbraw/zinc/42/43/51/380424351.db2.gz PQUJQYGTYMKFOH-IAGOWNOFSA-N 2 1 260.425 3.143 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000414813164 380424614 /nfs/dbraw/zinc/42/46/14/380424614.db2.gz MBCDMGJUOPAQKK-CYBMUJFWSA-N 2 1 285.229 3.056 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc2ncccc2c1)C1CCCCC1 ZINC000414834065 380441592 /nfs/dbraw/zinc/44/15/92/380441592.db2.gz GKSYNVHFMHQJCQ-SFHVURJKSA-N 2 1 283.419 3.232 20 0 CGADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414832995 380442023 /nfs/dbraw/zinc/44/20/23/380442023.db2.gz RVUYCGSSVMWYOX-KBPBESRZSA-N 2 1 286.341 3.151 20 0 CGADMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccccc1)C1CCCCC1 ZINC000414854429 380455473 /nfs/dbraw/zinc/45/54/73/380455473.db2.gz VACYIFUZQLXSHP-JEJOPICUSA-N 2 1 258.409 3.197 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414772772 380399265 /nfs/dbraw/zinc/39/92/65/380399265.db2.gz CIXZWQCOZSNFRS-QZTJIDSGSA-N 2 1 272.436 3.071 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000414778979 380401176 /nfs/dbraw/zinc/40/11/76/380401176.db2.gz JXZTYMUTKNLXQR-CABCVRRESA-N 2 1 278.465 3.186 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2F)o1)C1CC([NH3+])C1 ZINC000414783426 380403621 /nfs/dbraw/zinc/40/36/21/380403621.db2.gz ZLYLRPFCFGWWEU-UHFFFAOYSA-N 2 1 274.339 3.007 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccccc2F)o1)C1CC([NH3+])C1 ZINC000414783426 380403625 /nfs/dbraw/zinc/40/36/25/380403625.db2.gz ZLYLRPFCFGWWEU-UHFFFAOYSA-N 2 1 274.339 3.007 20 0 CGADMP Cc1ccc(CCC[NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000354353426 380409915 /nfs/dbraw/zinc/40/99/15/380409915.db2.gz UKVGIISXUVOQLB-IRXDYDNUSA-N 2 1 289.467 3.175 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc2ccccc2c1 ZINC000414852702 380456249 /nfs/dbraw/zinc/45/62/49/380456249.db2.gz RGZUJTBABPQRNC-KRWDZBQOSA-N 2 1 256.393 3.303 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000414802489 380416104 /nfs/dbraw/zinc/41/61/04/380416104.db2.gz IBODVRWPCAJEIA-SJORKVTESA-N 2 1 282.472 3.092 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)C1CC1 ZINC000414802825 380416471 /nfs/dbraw/zinc/41/64/71/380416471.db2.gz NEVYINWZFWHQSE-HNNXBMFYSA-N 2 1 290.407 3.381 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414807739 380420042 /nfs/dbraw/zinc/42/00/42/380420042.db2.gz JOOOTJUFLOBXPL-UHFFFAOYSA-N 2 1 280.359 3.374 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414932351 380493206 /nfs/dbraw/zinc/49/32/06/380493206.db2.gz QYAVWIBFQJDHRT-AGERRDQYSA-N 2 1 272.436 3.300 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+][C@H](C)C[NH3+])c1 ZINC000414931723 380494233 /nfs/dbraw/zinc/49/42/33/380494233.db2.gz QUQCZDHAJBSCTB-CQSZACIVSA-N 2 1 254.377 3.099 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+]CCC2CCCCC2)c1 ZINC000414862185 380464089 /nfs/dbraw/zinc/46/40/89/380464089.db2.gz VCVSNWGNOXTCML-UHFFFAOYSA-N 2 1 275.440 3.121 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414867388 380464880 /nfs/dbraw/zinc/46/48/80/380464880.db2.gz ODFIKSHSKVHCKZ-FGTMMUONSA-N 2 1 272.436 3.445 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H](C)c1ccccc1 ZINC000414875754 380470870 /nfs/dbraw/zinc/47/08/70/380470870.db2.gz JNDLGQICESHZMY-DLBZAZTESA-N 2 1 297.446 3.343 20 0 CGADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000414886224 380473679 /nfs/dbraw/zinc/47/36/79/380473679.db2.gz VPZXMWPBHCSFLG-MSOLQXFVSA-N 2 1 287.451 3.120 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)C1CC1 ZINC000414899458 380479507 /nfs/dbraw/zinc/47/95/07/380479507.db2.gz USFZLHFXNDPRSU-LJQANCHMSA-N 2 1 296.414 3.093 20 0 CGADMP CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355312254 380638096 /nfs/dbraw/zinc/63/80/96/380638096.db2.gz GHPAVRHJNMGHOM-INIZCTEOSA-N 2 1 290.451 3.105 20 0 CGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355312254 380638102 /nfs/dbraw/zinc/63/81/02/380638102.db2.gz GHPAVRHJNMGHOM-INIZCTEOSA-N 2 1 290.451 3.105 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000355205872 380622559 /nfs/dbraw/zinc/62/25/59/380622559.db2.gz KTCUSYZOLFTIDE-FCGDIQPGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000355205872 380622564 /nfs/dbraw/zinc/62/25/64/380622564.db2.gz KTCUSYZOLFTIDE-FCGDIQPGSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000355205872 380622570 /nfs/dbraw/zinc/62/25/70/380622570.db2.gz KTCUSYZOLFTIDE-FCGDIQPGSA-N 2 1 284.447 3.206 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000417871887 380686064 /nfs/dbraw/zinc/68/60/64/380686064.db2.gz MXCRQEZNHNDSTP-FJIDUMEYSA-N 2 1 270.420 3.007 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000417871887 380686069 /nfs/dbraw/zinc/68/60/69/380686069.db2.gz MXCRQEZNHNDSTP-FJIDUMEYSA-N 2 1 270.420 3.007 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419337972 380807700 /nfs/dbraw/zinc/80/77/00/380807700.db2.gz RPMWDXONYHEOJT-GJZGRUSLSA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419337972 380807703 /nfs/dbraw/zinc/80/77/03/380807703.db2.gz RPMWDXONYHEOJT-GJZGRUSLSA-N 2 1 263.429 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419375805 380819058 /nfs/dbraw/zinc/81/90/58/380819058.db2.gz RFTHLPRDDJGAKN-MRXNPFEDSA-N 2 1 293.480 3.189 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419375805 380819065 /nfs/dbraw/zinc/81/90/65/380819065.db2.gz RFTHLPRDDJGAKN-MRXNPFEDSA-N 2 1 293.480 3.189 20 0 CGADMP Clc1cccc2c1CC[C@@H]2[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420312626 380847569 /nfs/dbraw/zinc/84/75/69/380847569.db2.gz SSQFAQIAEZNXFY-INIZCTEOSA-N 2 1 290.838 3.403 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420313178 380849206 /nfs/dbraw/zinc/84/92/06/380849206.db2.gz XRCJGGOCYPKAKT-CVEARBPZSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C[C@H]1C[NH3+] ZINC000420414112 380851842 /nfs/dbraw/zinc/85/18/42/380851842.db2.gz UJJZOJZYRJFIOT-HSMVNMDESA-N 2 1 278.827 3.244 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1 ZINC000356829008 380888293 /nfs/dbraw/zinc/88/82/93/380888293.db2.gz CRJUHUFFHTXYDN-QAPCUYQASA-N 2 1 290.451 3.043 20 0 CGADMP CCC[N@@H+](CCOCC[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000357066804 381017341 /nfs/dbraw/zinc/01/73/41/381017341.db2.gz CJMYZMMJDRIQLV-CQSZACIVSA-N 2 1 290.407 3.181 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C)C1CCCC1 ZINC000572433042 322337065 /nfs/dbraw/zinc/33/70/65/322337065.db2.gz DJEPMASGFIEBEW-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C)C1CCCC1 ZINC000572433042 322337066 /nfs/dbraw/zinc/33/70/66/322337066.db2.gz DJEPMASGFIEBEW-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cc2c1C ZINC000334781133 207065007 /nfs/dbraw/zinc/06/50/07/207065007.db2.gz SNTAPBXPDVDSTQ-PXAZEXFGSA-N 2 1 285.435 3.215 20 0 CGADMP Cc1c[nH+]ccc1N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358953437 381331928 /nfs/dbraw/zinc/33/19/28/381331928.db2.gz MWTVKHDKZPYWHB-OWCLPIDISA-N 2 1 273.424 3.232 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1(C)CC1 ZINC000359909022 381380434 /nfs/dbraw/zinc/38/04/34/381380434.db2.gz JGYVZKBDLVYMPE-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000360246440 381496092 /nfs/dbraw/zinc/49/60/92/381496092.db2.gz VCJNBFKOOIGFQJ-VXGBXAGGSA-N 2 1 278.362 3.039 20 0 CGADMP CCCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360430271 381540896 /nfs/dbraw/zinc/54/08/96/381540896.db2.gz WTQASAOEVABJKU-CRAIPNDOSA-N 2 1 290.451 3.043 20 0 CGADMP Clc1ccc(SCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360559358 381579145 /nfs/dbraw/zinc/57/91/45/381579145.db2.gz BSMJRRMALJFLJC-HNNXBMFYSA-N 2 1 296.867 3.118 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000360700241 381621863 /nfs/dbraw/zinc/62/18/63/381621863.db2.gz BEZSDGVUNYVKKY-ZRGWGRIASA-N 2 1 297.446 3.096 20 0 CGADMP Cc1sc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361346501 381709060 /nfs/dbraw/zinc/70/90/60/381709060.db2.gz OXULIUCVDGWIDJ-AAEUAGOBSA-N 2 1 281.469 3.005 20 0 CGADMP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1C ZINC000334884639 207242753 /nfs/dbraw/zinc/24/27/53/207242753.db2.gz KUEHHOPQECMZQN-MLGOLLRUSA-N 2 1 285.435 3.357 20 0 CGADMP CCC1(CC)C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000362247050 381918993 /nfs/dbraw/zinc/91/89/93/381918993.db2.gz YBHAEYPSDBMGHS-AWEZNQCLSA-N 2 1 270.486 3.078 20 0 CGADMP CCC1(CC)C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000362247050 381918997 /nfs/dbraw/zinc/91/89/97/381918997.db2.gz YBHAEYPSDBMGHS-AWEZNQCLSA-N 2 1 270.486 3.078 20 0 CGADMP COCC[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CC=CCC1 ZINC000362252585 381921133 /nfs/dbraw/zinc/92/11/33/381921133.db2.gz QETVJOIAVMZFKL-GOSISDBHSA-N 2 1 294.483 3.167 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000226540280 542292395 /nfs/dbraw/zinc/29/23/95/542292395.db2.gz CQYUPSBGHKXYAL-QZTJIDSGSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227917172 542296563 /nfs/dbraw/zinc/29/65/63/542296563.db2.gz HHEDRHHRIHYLEY-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227917172 542296566 /nfs/dbraw/zinc/29/65/66/542296566.db2.gz HHEDRHHRIHYLEY-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP FCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367075651 382331510 /nfs/dbraw/zinc/33/15/10/382331510.db2.gz WGTVKGAJNQXDJP-GOEBONIOSA-N 2 1 268.420 3.075 20 0 CGADMP FCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367075651 382331513 /nfs/dbraw/zinc/33/15/13/382331513.db2.gz WGTVKGAJNQXDJP-GOEBONIOSA-N 2 1 268.420 3.075 20 0 CGADMP FCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367075651 382331515 /nfs/dbraw/zinc/33/15/15/382331515.db2.gz WGTVKGAJNQXDJP-GOEBONIOSA-N 2 1 268.420 3.075 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCSC2)C1 ZINC000365881683 382297980 /nfs/dbraw/zinc/29/79/80/382297980.db2.gz MJFVJHOZEKVUGC-BRWVUGGUSA-N 2 1 296.524 3.326 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000365881683 382297983 /nfs/dbraw/zinc/29/79/83/382297983.db2.gz MJFVJHOZEKVUGC-BRWVUGGUSA-N 2 1 296.524 3.326 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000365881683 382297989 /nfs/dbraw/zinc/29/79/89/382297989.db2.gz MJFVJHOZEKVUGC-BRWVUGGUSA-N 2 1 296.524 3.326 20 0 CGADMP C[C@@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252109444 542348184 /nfs/dbraw/zinc/34/81/84/542348184.db2.gz HODKBWUAIDWBKG-MOTUXRJWSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1F ZINC000251041486 542345203 /nfs/dbraw/zinc/34/52/03/542345203.db2.gz LSVJEKJBXVDOPO-DOTOQJQBSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1F ZINC000251041486 542345205 /nfs/dbraw/zinc/34/52/05/542345205.db2.gz LSVJEKJBXVDOPO-DOTOQJQBSA-N 2 1 276.399 3.098 20 0 CGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251090128 542345228 /nfs/dbraw/zinc/34/52/28/542345228.db2.gz IEZMBBYJSLXUJN-DGAVXFQQSA-N 2 1 290.373 3.324 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000358035172 533041307 /nfs/dbraw/zinc/04/13/07/533041307.db2.gz NKSMSSPVNFXLGE-ZBFHGGJFSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000358035172 533041311 /nfs/dbraw/zinc/04/13/11/533041311.db2.gz NKSMSSPVNFXLGE-ZBFHGGJFSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000358035172 533041312 /nfs/dbraw/zinc/04/13/12/533041312.db2.gz NKSMSSPVNFXLGE-ZBFHGGJFSA-N 2 1 290.476 3.325 20 0 CGADMP CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000353747270 220302606 /nfs/dbraw/zinc/30/26/06/220302606.db2.gz FLUHAULFKZBSNM-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000353747270 220302607 /nfs/dbraw/zinc/30/26/07/220302607.db2.gz FLUHAULFKZBSNM-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000353747270 220302608 /nfs/dbraw/zinc/30/26/08/220302608.db2.gz FLUHAULFKZBSNM-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000353747270 220302609 /nfs/dbraw/zinc/30/26/09/220302609.db2.gz FLUHAULFKZBSNM-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000353756029 220308772 /nfs/dbraw/zinc/30/87/72/220308772.db2.gz UVJVBFCOZUTQKC-SPUZQDLCSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000353756029 220308775 /nfs/dbraw/zinc/30/87/75/220308775.db2.gz UVJVBFCOZUTQKC-SPUZQDLCSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000353756029 220308778 /nfs/dbraw/zinc/30/87/78/220308778.db2.gz UVJVBFCOZUTQKC-SPUZQDLCSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC[NH+]1C ZINC000353756029 220308781 /nfs/dbraw/zinc/30/87/81/220308781.db2.gz UVJVBFCOZUTQKC-SPUZQDLCSA-N 2 1 272.436 3.205 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccnn1-c1ccccc1 ZINC000281249767 542383761 /nfs/dbraw/zinc/38/37/61/542383761.db2.gz NTYBVYZCASFXAD-INIZCTEOSA-N 2 1 298.434 3.009 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)ccc2[nH]1 ZINC000353816855 220348829 /nfs/dbraw/zinc/34/88/29/220348829.db2.gz MVSQWMHKOFPUPO-QXAKKESOSA-N 2 1 297.446 3.439 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414684816 297399833 /nfs/dbraw/zinc/39/98/33/297399833.db2.gz WXMCTLVWZPRKAX-BFYDXBDKSA-N 2 1 258.409 3.212 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339077073 542485589 /nfs/dbraw/zinc/48/55/89/542485589.db2.gz ZDJQNUFTSHJROB-CVEARBPZSA-N 2 1 290.476 3.433 20 0 CGADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339077073 542485597 /nfs/dbraw/zinc/48/55/97/542485597.db2.gz ZDJQNUFTSHJROB-CVEARBPZSA-N 2 1 290.476 3.433 20 0 CGADMP Fc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339068081 542485953 /nfs/dbraw/zinc/48/59/53/542485953.db2.gz NCWYLZYAPIZDPL-IRXDYDNUSA-N 2 1 288.410 3.074 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000348121895 542516608 /nfs/dbraw/zinc/51/66/08/542516608.db2.gz JLPJGKRUNXLNKX-ROUUACIJSA-N 2 1 272.436 3.417 20 0 CGADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423087455 285407442 /nfs/dbraw/zinc/40/74/42/285407442.db2.gz ODFQTCZJBXOSMZ-NOLJZWGESA-N 2 1 296.842 3.005 20 0 CGADMP C/C(=C/c1ccccc1)C[N@H+](C)CCn1cc[nH+]c1C ZINC000494231522 533389402 /nfs/dbraw/zinc/38/94/02/533389402.db2.gz SLADTLMBQZPOOR-SQFISAMPSA-N 2 1 269.392 3.227 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000494231522 533389410 /nfs/dbraw/zinc/38/94/10/533389410.db2.gz SLADTLMBQZPOOR-SQFISAMPSA-N 2 1 269.392 3.227 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423373797 533499141 /nfs/dbraw/zinc/49/91/41/533499141.db2.gz SGMXEFFPMDDUFF-IVZWLZJFSA-N 2 1 291.222 3.086 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000423501447 533511520 /nfs/dbraw/zinc/51/15/20/533511520.db2.gz DOAKIVHCGDDWDM-ABAIWWIYSA-N 2 1 298.377 3.456 20 0 CGADMP CSCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367617717 533548339 /nfs/dbraw/zinc/54/83/39/533548339.db2.gz RDFYHKACJDCMIC-XHSDSOJGSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414815218 533655930 /nfs/dbraw/zinc/65/59/30/533655930.db2.gz SZMDOJHOADLPGY-CABZTGNLSA-N 2 1 272.845 3.050 20 0 CGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000414209288 542635174 /nfs/dbraw/zinc/63/51/74/542635174.db2.gz MZLQLFPMXWZWIE-JQHSSLGASA-N 2 1 290.451 3.084 20 0 CGADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000414209288 542635176 /nfs/dbraw/zinc/63/51/76/542635176.db2.gz MZLQLFPMXWZWIE-JQHSSLGASA-N 2 1 290.451 3.084 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCC[NH3+])C1 ZINC000414699205 542638387 /nfs/dbraw/zinc/63/83/87/542638387.db2.gz DMZMKOSJILFZSU-FZMZJTMJSA-N 2 1 286.341 3.437 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1cccc(-c2ccccc2)c1)C1CC1 ZINC000414902447 542639734 /nfs/dbraw/zinc/63/97/34/542639734.db2.gz YHEPGQSIFVGDHQ-GOSISDBHSA-N 2 1 266.388 3.181 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)s1 ZINC000049687021 392056895 /nfs/dbraw/zinc/05/68/95/392056895.db2.gz ULSKCMGXVARXDD-CQSZACIVSA-N 2 1 266.454 3.185 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000071376686 392190473 /nfs/dbraw/zinc/19/04/73/392190473.db2.gz QMZQSPFDTOUGHG-MRXNPFEDSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000071376686 392190475 /nfs/dbraw/zinc/19/04/75/392190475.db2.gz QMZQSPFDTOUGHG-MRXNPFEDSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089428386 392227726 /nfs/dbraw/zinc/22/77/26/392227726.db2.gz NDJOTPNDDJRAAC-LESCRADOSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000089428386 392227730 /nfs/dbraw/zinc/22/77/30/392227730.db2.gz NDJOTPNDDJRAAC-LESCRADOSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000089428386 392227733 /nfs/dbraw/zinc/22/77/33/392227733.db2.gz NDJOTPNDDJRAAC-LESCRADOSA-N 2 1 290.426 3.488 20 0 CGADMP C[N@H+](CCC[NH+]1CCCCC1)CCOc1ccccc1F ZINC000361263779 392270947 /nfs/dbraw/zinc/27/09/47/392270947.db2.gz XZAHSLDYIHPROZ-UHFFFAOYSA-N 2 1 294.414 3.012 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCOc1ccccc1F ZINC000361263779 392270954 /nfs/dbraw/zinc/27/09/54/392270954.db2.gz XZAHSLDYIHPROZ-UHFFFAOYSA-N 2 1 294.414 3.012 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000105456234 392289779 /nfs/dbraw/zinc/28/97/79/392289779.db2.gz KEYHNMTVXNCIHN-HNNXBMFYSA-N 2 1 285.435 3.378 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)c(C)c1 ZINC000105442707 392289899 /nfs/dbraw/zinc/28/98/99/392289899.db2.gz QYVDPBYBBBRXNZ-LBPRGKRZSA-N 2 1 275.371 3.065 20 0 CGADMP Cc1cc(N2CCC[N@H+]3CCC[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000361810262 392330906 /nfs/dbraw/zinc/33/09/06/392330906.db2.gz CIQSIRDMAAETLX-HNNXBMFYSA-N 2 1 299.393 3.357 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000237378433 131027061 /nfs/dbraw/zinc/02/70/61/131027061.db2.gz VIDOQEHEHQOPRG-ZDUSSCGKSA-N 2 1 282.391 3.099 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC000109788627 392374382 /nfs/dbraw/zinc/37/43/82/392374382.db2.gz VDMQADABROVJIA-UHFFFAOYSA-N 2 1 264.388 3.132 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC000109788627 392374385 /nfs/dbraw/zinc/37/43/85/392374385.db2.gz VDMQADABROVJIA-UHFFFAOYSA-N 2 1 264.388 3.132 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000123673422 392430076 /nfs/dbraw/zinc/43/00/76/392430076.db2.gz YGNKVUSLIJUSBS-SWLSCSKDSA-N 2 1 252.377 3.192 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132856565 392461244 /nfs/dbraw/zinc/46/12/44/392461244.db2.gz SYTFOYVNAFUCSO-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000367094572 392472198 /nfs/dbraw/zinc/47/21/98/392472198.db2.gz PYTMHLFADIQWQW-DYDDAFRHSA-N 2 1 284.447 3.456 20 0 CGADMP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@H]2C2CC2)n1 ZINC000291639554 392474850 /nfs/dbraw/zinc/47/48/50/392474850.db2.gz SZBWZGCSHBIFPU-MRXNPFEDSA-N 2 1 267.376 3.099 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000149413391 392480583 /nfs/dbraw/zinc/48/05/83/392480583.db2.gz WTLNXHNORRGAMN-DYVFJYSZSA-N 2 1 258.409 3.309 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398623 392506701 /nfs/dbraw/zinc/50/67/01/392506701.db2.gz WZZLPHPVKTZSLD-KSSFIOAISA-N 2 1 288.435 3.220 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000152490548 392506802 /nfs/dbraw/zinc/50/68/02/392506802.db2.gz SHHPBMUCXBCHEO-XLIONFOSSA-N 2 1 298.474 3.390 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1N(C)C ZINC000371333523 392513991 /nfs/dbraw/zinc/51/39/91/392513991.db2.gz DLXBZIRAZMOPBJ-ARFHVFGLSA-N 2 1 287.451 3.030 20 0 CGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161603699 392584899 /nfs/dbraw/zinc/58/48/99/392584899.db2.gz SMVYHLSRVCVCFQ-ZDRJDWQYSA-N 2 1 270.420 3.136 20 0 CGADMP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000301712300 392596874 /nfs/dbraw/zinc/59/68/74/392596874.db2.gz LEFULFYKDNENOB-CRAIPNDOSA-N 2 1 295.430 3.464 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000164785317 392606879 /nfs/dbraw/zinc/60/68/79/392606879.db2.gz HXANEHFAAUVIKF-CKEIUWERSA-N 2 1 292.442 3.422 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000156578914 392548195 /nfs/dbraw/zinc/54/81/95/392548195.db2.gz GXRKYXNBZYUWHS-BVUBDWEXSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@H+]1C ZINC000156578914 392548200 /nfs/dbraw/zinc/54/82/00/392548200.db2.gz GXRKYXNBZYUWHS-BVUBDWEXSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC000647306087 392655051 /nfs/dbraw/zinc/65/50/51/392655051.db2.gz WOASTDBVXWFHLH-HQSKLWIPSA-N 2 1 287.451 3.384 20 0 CGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309973544 392658352 /nfs/dbraw/zinc/65/83/52/392658352.db2.gz PIXBVWSCSMYOLI-WDSOQIARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309973544 392658355 /nfs/dbraw/zinc/65/83/55/392658355.db2.gz PIXBVWSCSMYOLI-WDSOQIARSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309973544 392658360 /nfs/dbraw/zinc/65/83/60/392658360.db2.gz PIXBVWSCSMYOLI-WDSOQIARSA-N 2 1 286.463 3.486 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC000334555359 392735811 /nfs/dbraw/zinc/73/58/11/392735811.db2.gz DLRDHMZKWGSMAW-AWEZNQCLSA-N 2 1 274.399 3.228 20 0 CGADMP Fc1ccc(/C=C\C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482665 392737166 /nfs/dbraw/zinc/73/71/66/392737166.db2.gz XALCHKPEYBOLER-UPHRSURJSA-N 2 1 274.383 3.055 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482584 392737550 /nfs/dbraw/zinc/73/75/50/392737550.db2.gz QZZIPSRPAZHDFU-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482469 392738065 /nfs/dbraw/zinc/73/80/65/392738065.db2.gz HRGAQTXENMUSDB-YJBOKZPZSA-N 2 1 270.420 3.007 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H](c2ccccc2)C(C)C)CC[C@@H]1[NH3+] ZINC000647497484 392740947 /nfs/dbraw/zinc/74/09/47/392740947.db2.gz JHEIURBFCNZBIJ-NXHRZFHOSA-N 2 1 274.452 3.485 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647499103 392742715 /nfs/dbraw/zinc/74/27/15/392742715.db2.gz ZLRARPYHVRDYBO-INMHGKMJSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc2cnccc21 ZINC000647505934 392744498 /nfs/dbraw/zinc/74/44/98/392744498.db2.gz QVLLJFWYSOIEOR-QGZVFWFLSA-N 2 1 271.408 3.040 20 0 CGADMP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1N(C)C ZINC000182851860 392749367 /nfs/dbraw/zinc/74/93/67/392749367.db2.gz XNTYZHICEHIYHH-LZWOXQAQSA-N 2 1 275.440 3.202 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000334853289 392753690 /nfs/dbraw/zinc/75/36/90/392753690.db2.gz IGWHPGSNHYWWPG-VXGBXAGGSA-N 2 1 264.800 3.044 20 0 CGADMP CC(C)[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534183 392755640 /nfs/dbraw/zinc/75/56/40/392755640.db2.gz IIHACOBPTIZDSE-BZSNNMDCSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000647534183 392755643 /nfs/dbraw/zinc/75/56/43/392755643.db2.gz IIHACOBPTIZDSE-BZSNNMDCSA-N 2 1 272.436 3.110 20 0 CGADMP C1CC1[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000334986461 392759278 /nfs/dbraw/zinc/75/92/78/392759278.db2.gz QDJDTRBHUDLELY-UHFFFAOYSA-N 2 1 262.441 3.316 20 0 CGADMP CC(C)(C)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543897 392760127 /nfs/dbraw/zinc/76/01/27/392760127.db2.gz UFOINCAGOWAJOX-CABCVRRESA-N 2 1 252.446 3.134 20 0 CGADMP Fc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543293 392761054 /nfs/dbraw/zinc/76/10/54/392761054.db2.gz KQKNZIJJSSEGFE-CABCVRRESA-N 2 1 276.399 3.037 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647553033 392765286 /nfs/dbraw/zinc/76/52/86/392765286.db2.gz SMAXBJHIEUYZCN-HNNXBMFYSA-N 2 1 264.388 3.168 20 0 CGADMP Cc1cccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000181149889 392722064 /nfs/dbraw/zinc/72/20/64/392722064.db2.gz UEMUIDJGZGYYAS-RTBURBONSA-N 2 1 286.463 3.344 20 0 CGADMP CC[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000647936949 392837965 /nfs/dbraw/zinc/83/79/65/392837965.db2.gz NZNGBHMWLOXYLF-APWZRJJASA-N 2 1 282.431 3.442 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](CC)c1ccccc1 ZINC000647878616 392821355 /nfs/dbraw/zinc/82/13/55/392821355.db2.gz UBBOOFTYFKTBDP-NVXWUHKLSA-N 2 1 260.425 3.459 20 0 CGADMP C([C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647882652 392824496 /nfs/dbraw/zinc/82/44/96/392824496.db2.gz JTFJAZSBPLJCCO-HZPDHXFCSA-N 2 1 250.430 3.031 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903563 392828949 /nfs/dbraw/zinc/82/89/49/392828949.db2.gz MCMOWXRXHXSLCQ-CHWSQXEVSA-N 2 1 278.362 3.183 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000647903560 392829253 /nfs/dbraw/zinc/82/92/53/392829253.db2.gz LWJHSXRWEPTYMB-HOTGVXAUSA-N 2 1 278.465 3.145 20 0 CGADMP Fc1ccc(F)c2c1CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647890817 392829422 /nfs/dbraw/zinc/82/94/22/392829422.db2.gz YWZYOLOSFDIUNL-UHFFFAOYSA-N 2 1 294.389 3.103 20 0 CGADMP C[NH+](C)CC1(C[NH2+]Cc2scnc2C2CC2)CCCC1 ZINC000487554836 542712304 /nfs/dbraw/zinc/71/23/04/542712304.db2.gz FMABQJFEVSUZBR-UHFFFAOYSA-N 2 1 293.480 3.232 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000459530343 392945514 /nfs/dbraw/zinc/94/55/14/392945514.db2.gz PJCAPFIBKXBCQF-RBSFLKMASA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000401568495 392950818 /nfs/dbraw/zinc/95/08/18/392950818.db2.gz CORHBPTYLFOTRC-BZUAXINKSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000401453889 392951424 /nfs/dbraw/zinc/95/14/24/392951424.db2.gz BIVVWXYNQXWVNG-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340389931 392972580 /nfs/dbraw/zinc/97/25/80/392972580.db2.gz HSNXPJVTIJQGFT-SIXLDLHFSA-N 2 1 290.476 3.163 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340389931 392972584 /nfs/dbraw/zinc/97/25/84/392972584.db2.gz HSNXPJVTIJQGFT-SIXLDLHFSA-N 2 1 290.476 3.163 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)CCO1 ZINC000648418484 393009332 /nfs/dbraw/zinc/00/93/32/393009332.db2.gz ZALFBHHDGXUCQI-KSZLIROESA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccs2)C2CC2)CC[N@@H+]1C ZINC000227298966 393015571 /nfs/dbraw/zinc/01/55/71/393015571.db2.gz MWOJOAAXLGFILK-ZLDLUXBVSA-N 2 1 264.438 3.272 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccs2)C2CC2)CC[N@H+]1C ZINC000227298966 393015578 /nfs/dbraw/zinc/01/55/78/393015578.db2.gz MWOJOAAXLGFILK-ZLDLUXBVSA-N 2 1 264.438 3.272 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CCO1 ZINC000648448143 393021754 /nfs/dbraw/zinc/02/17/54/393021754.db2.gz FFBNAVBJTHECDL-ZWKOTPCHSA-N 2 1 290.451 3.186 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000415002104 393088011 /nfs/dbraw/zinc/08/80/11/393088011.db2.gz NDWFZMRXCBQDJC-ROKHWSDSSA-N 2 1 274.399 3.036 20 0 CGADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414171122 393042235 /nfs/dbraw/zinc/04/22/35/393042235.db2.gz CQTYOJLYNBBZTQ-DOTOQJQBSA-N 2 1 275.440 3.100 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)cs1)C1CCCC1 ZINC000415044255 393110491 /nfs/dbraw/zinc/11/04/91/393110491.db2.gz BOFZIXVFDNEILN-GFCCVEGCSA-N 2 1 258.818 3.009 20 0 CGADMP C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1[NH3+] ZINC000251764483 393120219 /nfs/dbraw/zinc/12/02/19/393120219.db2.gz LZTHQTLYIIAOML-SCLBCKFNSA-N 2 1 278.399 3.426 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000415059266 393120267 /nfs/dbraw/zinc/12/02/67/393120267.db2.gz UZSWMWCQDWWWRZ-KRWDZBQOSA-N 2 1 283.419 3.212 20 0 CGADMP CC(C)C1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000415064702 393124762 /nfs/dbraw/zinc/12/47/62/393124762.db2.gz LECBWZKKTDITKV-AVVWSFFYSA-N 2 1 252.446 3.308 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1CCCC1 ZINC000415072314 393130104 /nfs/dbraw/zinc/13/01/04/393130104.db2.gz XTMUADMNGZRLDZ-CQSZACIVSA-N 2 1 270.779 3.086 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000415116110 393148746 /nfs/dbraw/zinc/14/87/46/393148746.db2.gz VSDSAZYIBWZEKQ-CHWSQXEVSA-N 2 1 278.827 3.086 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415127371 393152561 /nfs/dbraw/zinc/15/25/61/393152561.db2.gz MUUKQKLDFFRNAR-YOEHRIQHSA-N 2 1 260.425 3.056 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415136009 393155561 /nfs/dbraw/zinc/15/55/61/393155561.db2.gz WXQLHVMPAVQPRV-RDJZCZTQSA-N 2 1 290.451 3.138 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415134195 393155667 /nfs/dbraw/zinc/15/56/67/393155667.db2.gz VTMJDDVKIQKINU-RDJZCZTQSA-N 2 1 290.451 3.138 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000415131852 393156358 /nfs/dbraw/zinc/15/63/58/393156358.db2.gz KAJQJVYAIYQHCE-UHFFFAOYSA-N 2 1 274.433 3.456 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000415131852 393156361 /nfs/dbraw/zinc/15/63/61/393156361.db2.gz KAJQJVYAIYQHCE-UHFFFAOYSA-N 2 1 274.433 3.456 20 0 CGADMP CC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353400502 393220738 /nfs/dbraw/zinc/22/07/38/393220738.db2.gz GLFHQWIJSCTJPJ-KDQUWOQTSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1cc2cc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)oc2cc1C ZINC000469857915 393221770 /nfs/dbraw/zinc/22/17/70/393221770.db2.gz YZXIRJWKOHZNBT-UONOGXRCSA-N 2 1 272.392 3.219 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(Cl)c1F ZINC000268373892 393198244 /nfs/dbraw/zinc/19/82/44/393198244.db2.gz SIQYUCYLGAXSFT-UHFFFAOYSA-N 2 1 281.762 3.164 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000474809567 393350117 /nfs/dbraw/zinc/35/01/17/393350117.db2.gz MKCOQVOLZFCNEX-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000474809567 393350121 /nfs/dbraw/zinc/35/01/21/393350121.db2.gz MKCOQVOLZFCNEX-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2ccccc2OC)CC1 ZINC000356281878 393406204 /nfs/dbraw/zinc/40/62/04/393406204.db2.gz MPFZTSKZIWHJSZ-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccccc2OC)CC1 ZINC000356281878 393406206 /nfs/dbraw/zinc/40/62/06/393406206.db2.gz MPFZTSKZIWHJSZ-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420380995 393480080 /nfs/dbraw/zinc/48/00/80/393480080.db2.gz ROOCRCZHNISRGJ-DOTOQJQBSA-N 2 1 258.409 3.132 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1(SC)CCC1 ZINC000356326833 393421277 /nfs/dbraw/zinc/42/12/77/393421277.db2.gz XSKWFBLBHLWKSD-UHFFFAOYSA-N 2 1 270.486 3.080 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000484487009 393445056 /nfs/dbraw/zinc/44/50/56/393445056.db2.gz RMUUWJPZPKFEJU-SYQHCUMBSA-N 2 1 292.389 3.285 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420295769 393451476 /nfs/dbraw/zinc/45/14/76/393451476.db2.gz CRPSUXMTYCUVPS-LBPRGKRZSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420294599 393451751 /nfs/dbraw/zinc/45/17/51/393451751.db2.gz BJCDZDJOFYKUPV-IJEWVQPXSA-N 2 1 276.399 3.003 20 0 CGADMP CC(C)CC[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301511 393455213 /nfs/dbraw/zinc/45/52/13/393455213.db2.gz LHYKBUUNLOXILP-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420300067 393455599 /nfs/dbraw/zinc/45/55/99/393455599.db2.gz HAOCKSASQSESKH-SFHVURJKSA-N 2 1 274.452 3.331 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)CC[C@H]3CC[NH2+]C3)ccc2c1 ZINC000420302276 393456017 /nfs/dbraw/zinc/45/60/17/393456017.db2.gz JLSOKMFVCHAEPP-OAHLLOKOSA-N 2 1 298.430 3.280 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C(C)C)C2CCCC2)cc1 ZINC000420300433 393456198 /nfs/dbraw/zinc/45/61/98/393456198.db2.gz HJDRSYWIKORFFR-MRXNPFEDSA-N 2 1 290.451 3.391 20 0 CGADMP C(C[N@H+]1CCCC2(CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420303832 393457440 /nfs/dbraw/zinc/45/74/40/393457440.db2.gz NQDRDLJMULQSKA-INIZCTEOSA-N 2 1 264.457 3.422 20 0 CGADMP Fc1ccc(CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420304397 393458010 /nfs/dbraw/zinc/45/80/10/393458010.db2.gz OJJAUOUQSCYIRL-INIZCTEOSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)C[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304328 393458201 /nfs/dbraw/zinc/45/82/01/393458201.db2.gz ODQWEYIKZVJENX-CVEARBPZSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420308471 393458940 /nfs/dbraw/zinc/45/89/40/393458940.db2.gz SHFFZTOXFLXYIA-JFIYKMOQSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000420310362 393459416 /nfs/dbraw/zinc/45/94/16/393459416.db2.gz PRJOICBYTWPSLS-TZMCWYRMSA-N 2 1 296.842 3.296 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000420310362 393459420 /nfs/dbraw/zinc/45/94/20/393459420.db2.gz PRJOICBYTWPSLS-TZMCWYRMSA-N 2 1 296.842 3.296 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420308010 393459497 /nfs/dbraw/zinc/45/94/97/393459497.db2.gz RUVPVQBGCPLKLN-KEYYUXOJSA-N 2 1 276.399 3.208 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000420312385 393461160 /nfs/dbraw/zinc/46/11/60/393461160.db2.gz WVTPWOZIRNEZNL-IJEWVQPXSA-N 2 1 276.424 3.000 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420317730 393463096 /nfs/dbraw/zinc/46/30/96/393463096.db2.gz NVJLMYJVHVLGDK-KBPBESRZSA-N 2 1 272.392 3.425 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420317806 393463257 /nfs/dbraw/zinc/46/32/57/393463257.db2.gz OAFNKXKYGHXWBN-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333222 393469539 /nfs/dbraw/zinc/46/95/39/393469539.db2.gz SMOOQYLYGOYHNZ-HZSPNIEDSA-N 2 1 294.389 3.347 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000420352376 393471525 /nfs/dbraw/zinc/47/15/25/393471525.db2.gz AIZZUTPZQUNOQY-LESCRADOSA-N 2 1 290.451 3.248 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)CC1(OC)CCC1)[NH+](C)C ZINC000429524546 393472878 /nfs/dbraw/zinc/47/28/78/393472878.db2.gz XFZRXDPMTDUXPD-GDBMZVCRSA-N 2 1 284.488 3.290 20 0 CGADMP C[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000420371068 393477120 /nfs/dbraw/zinc/47/71/20/393477120.db2.gz KCUFLSUFFUKLFY-GOSISDBHSA-N 2 1 268.404 3.284 20 0 CGADMP CC1CCC(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000429541205 393477872 /nfs/dbraw/zinc/47/78/72/393477872.db2.gz VMMHCCPXKFETCT-GPANFISMSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000420373936 393478479 /nfs/dbraw/zinc/47/84/79/393478479.db2.gz ZQAFLWLVFAQJIQ-AWEZNQCLSA-N 2 1 291.826 3.351 20 0 CGADMP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@@H](C)[NH3+])C(C)C ZINC000420412721 393485598 /nfs/dbraw/zinc/48/55/98/393485598.db2.gz SORKUAVFRYLURB-ABAIWWIYSA-N 2 1 260.381 3.375 20 0 CGADMP [NH3+]CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000420419838 393486917 /nfs/dbraw/zinc/48/69/17/393486917.db2.gz XWHCCCARDNRFCQ-MOPGFXCFSA-N 2 1 280.415 3.396 20 0 CGADMP CC[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430124706 393526541 /nfs/dbraw/zinc/52/65/41/393526541.db2.gz LLAMPSVIOGSNEC-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430124706 393526545 /nfs/dbraw/zinc/52/65/45/393526545.db2.gz LLAMPSVIOGSNEC-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP CC[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430124706 393526548 /nfs/dbraw/zinc/52/65/48/393526548.db2.gz LLAMPSVIOGSNEC-FUHWJXTLSA-N 2 1 272.436 3.208 20 0 CGADMP C(C[NH+]1CCC12CCCC2)C[N@H+]1CCC12CCCC2 ZINC000649657548 393528900 /nfs/dbraw/zinc/52/89/00/393528900.db2.gz DFMUHYYVTGDQNZ-UHFFFAOYSA-N 2 1 262.441 3.414 20 0 CGADMP C[C@@H]1CC[C@]2(CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)C1 ZINC000359556583 393551639 /nfs/dbraw/zinc/55/16/39/393551639.db2.gz MGCZXGMGSHRSQR-ZACQAIPSSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CC[C@]2(CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000359556583 393551644 /nfs/dbraw/zinc/55/16/44/393551644.db2.gz MGCZXGMGSHRSQR-ZACQAIPSSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000359629713 393553311 /nfs/dbraw/zinc/55/33/11/393553311.db2.gz GFXMXZDBIRCFEC-AWEZNQCLSA-N 2 1 295.446 3.273 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000359629713 393553315 /nfs/dbraw/zinc/55/33/15/393553315.db2.gz GFXMXZDBIRCFEC-AWEZNQCLSA-N 2 1 295.446 3.273 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000623085839 542780073 /nfs/dbraw/zinc/78/00/73/542780073.db2.gz ILRHIWPZNDRZED-UHFFFAOYSA-N 2 1 283.419 3.410 20 0 CGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000430572006 393575991 /nfs/dbraw/zinc/57/59/91/393575991.db2.gz OXSNKRRQAXJWSL-SFHVURJKSA-N 2 1 299.418 3.337 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@](C)(C[NH3+])C(C)C)cc1C ZINC000430562387 393577370 /nfs/dbraw/zinc/57/73/70/393577370.db2.gz QZAPLHPMQFSDLF-INIZCTEOSA-N 2 1 280.481 3.359 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770340 542814446 /nfs/dbraw/zinc/81/44/46/542814446.db2.gz VKSJRYJTYMYLCQ-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP Clc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1Cl ZINC000666855451 542820772 /nfs/dbraw/zinc/82/07/72/542820772.db2.gz SHQOHPVYPSTHLC-LLVKDONJSA-N 2 1 273.207 3.225 20 0 CGADMP Fc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)o1 ZINC000666855310 542820931 /nfs/dbraw/zinc/82/09/31/542820931.db2.gz LPAXYYGWQORPJY-CYBMUJFWSA-N 2 1 288.366 3.317 20 0 CGADMP C[N@H+](Cc1cccc(C2CC2)c1)CC1CC[NH+](C)CC1 ZINC000421318730 393601959 /nfs/dbraw/zinc/60/19/59/393601959.db2.gz HOGYKEZPUMTPJH-UHFFFAOYSA-N 2 1 272.436 3.338 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432415798 393610877 /nfs/dbraw/zinc/61/08/77/393610877.db2.gz DMELEPDDQLXIGP-SJORKVTESA-N 2 1 282.472 3.212 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432415798 393610880 /nfs/dbraw/zinc/61/08/80/393610880.db2.gz DMELEPDDQLXIGP-SJORKVTESA-N 2 1 282.472 3.212 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000360940624 393620764 /nfs/dbraw/zinc/62/07/64/393620764.db2.gz GUWCQIMHECWKRU-QGZVFWFLSA-N 2 1 299.418 3.312 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCc2cccnc2CC1)C(C)C ZINC000421799798 393633076 /nfs/dbraw/zinc/63/30/76/393633076.db2.gz FQQDHEGKDUVRFD-QGZVFWFLSA-N 2 1 289.467 3.037 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)c2ccccc21 ZINC000422818493 393644455 /nfs/dbraw/zinc/64/44/55/393644455.db2.gz GMKISBMHMZEZOU-YRXWBPOGSA-N 2 1 294.398 3.251 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423289971 393659022 /nfs/dbraw/zinc/65/90/22/393659022.db2.gz YUGFBPFIVMHZRE-ZDUSSCGKSA-N 2 1 297.240 3.153 20 0 CGADMP CC[C@H]1[C@H](C)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361143577 393684411 /nfs/dbraw/zinc/68/44/11/393684411.db2.gz VNLWETOAGBQJQC-DYVFJYSZSA-N 2 1 284.407 3.196 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423475654 393669928 /nfs/dbraw/zinc/66/99/28/393669928.db2.gz RTSWVEVFDCRFKR-RNCFNFMXSA-N 2 1 273.207 3.308 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000423517997 393672086 /nfs/dbraw/zinc/67/20/86/393672086.db2.gz YZLRYNYTWPQJLH-OAGGEKHMSA-N 2 1 252.446 3.308 20 0 CGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000361110809 393675154 /nfs/dbraw/zinc/67/51/54/393675154.db2.gz QYZMSZPFVGWFBG-YJBOKZPZSA-N 2 1 290.451 3.084 20 0 CGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000361110809 393675161 /nfs/dbraw/zinc/67/51/61/393675161.db2.gz QYZMSZPFVGWFBG-YJBOKZPZSA-N 2 1 290.451 3.084 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCc2ccccc2CC1 ZINC000453114568 394176387 /nfs/dbraw/zinc/17/63/87/394176387.db2.gz WBMSVBJIKHRKIL-OAHLLOKOSA-N 2 1 297.446 3.365 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453060008 394156203 /nfs/dbraw/zinc/15/62/03/394156203.db2.gz MDICWCWBRQLLHG-MRXNPFEDSA-N 2 1 261.413 3.140 20 0 CGADMP C[N@@H+](CCCC[NH2+]CCc1ccc(F)cc1Cl)C1CC1 ZINC000453601726 394255858 /nfs/dbraw/zinc/25/58/58/394255858.db2.gz VJRFBDNWOQOKOY-UHFFFAOYSA-N 2 1 298.833 3.486 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000453398014 394232223 /nfs/dbraw/zinc/23/22/23/394232223.db2.gz KFYZGRVFBKBLSN-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CCCC[NH2+]C1CCc2ccccc2CC1)C1CC1 ZINC000453397974 394232609 /nfs/dbraw/zinc/23/26/09/394232609.db2.gz KFOODUCWFGZUBJ-UHFFFAOYSA-N 2 1 286.463 3.398 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cc(F)c(F)cc1F)C1CC1 ZINC000453597004 394253241 /nfs/dbraw/zinc/25/32/41/394253241.db2.gz MTOIUVZDUCPSLV-UHFFFAOYSA-N 2 1 286.341 3.068 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453596975 394253643 /nfs/dbraw/zinc/25/36/43/394253643.db2.gz MQOWEAJRCPZFDV-HOCLYGCPSA-N 2 1 264.457 3.443 20 0 CGADMP C[N@@H+](CCc1cccs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667670878 542912760 /nfs/dbraw/zinc/91/27/60/542912760.db2.gz AEBULFHGKGIXBD-UHFFFAOYSA-N 2 1 298.415 3.003 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)[nH]c2c1 ZINC000668194223 542985924 /nfs/dbraw/zinc/98/59/24/542985924.db2.gz BDBMOYPDQCKQOM-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2cc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)[nH]c2c1 ZINC000668194223 542985926 /nfs/dbraw/zinc/98/59/26/542985926.db2.gz BDBMOYPDQCKQOM-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)[nH]c2c1 ZINC000668194223 542985930 /nfs/dbraw/zinc/98/59/30/542985930.db2.gz BDBMOYPDQCKQOM-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)[nH]c2c1 ZINC000668194223 542985935 /nfs/dbraw/zinc/98/59/35/542985935.db2.gz BDBMOYPDQCKQOM-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000469597881 292054870 /nfs/dbraw/zinc/05/48/70/292054870.db2.gz ZVJMQULOANJPHH-QGZVFWFLSA-N 2 1 296.499 3.390 20 0 CGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000668668465 543041007 /nfs/dbraw/zinc/04/10/07/543041007.db2.gz YCNKYWCKFODKRW-YYTXDEJISA-N 2 1 284.447 3.285 20 0 CGADMP Cc1ccc(CCC[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cn1 ZINC000668844311 543071557 /nfs/dbraw/zinc/07/15/57/543071557.db2.gz IKPCFZYEGGRJSP-UHFFFAOYSA-N 2 1 298.434 3.130 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(C)(C)C ZINC000670264874 543147125 /nfs/dbraw/zinc/14/71/25/543147125.db2.gz MDYHRUCAAFJJRN-CABCVRRESA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)CC[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000110894004 397654810 /nfs/dbraw/zinc/65/48/10/397654810.db2.gz HFNDBSHOJYCNPV-UHFFFAOYSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916390 397609859 /nfs/dbraw/zinc/60/98/59/397609859.db2.gz METOQNMLEDZENG-KBPBESRZSA-N 2 1 264.438 3.021 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334361852 397682384 /nfs/dbraw/zinc/68/23/84/397682384.db2.gz CFHZETRZBUMNSC-SWLSCSKDSA-N 2 1 274.433 3.331 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334361852 397682386 /nfs/dbraw/zinc/68/23/86/397682386.db2.gz CFHZETRZBUMNSC-SWLSCSKDSA-N 2 1 274.433 3.331 20 0 CGADMP Cc1cc[nH+]c(N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443901632 397704146 /nfs/dbraw/zinc/70/41/46/397704146.db2.gz ZQCMEVUORVLIBF-UHFFFAOYSA-N 2 1 287.451 3.482 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC2([NH+](C)C)CCCCC2)CCC1 ZINC000429355685 292125381 /nfs/dbraw/zinc/12/53/81/292125381.db2.gz IDIJQLXBKATQQM-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC000650705995 397898048 /nfs/dbraw/zinc/89/80/48/397898048.db2.gz BOLFKHNNORJRBL-KSZLIROESA-N 2 1 294.483 3.175 20 0 CGADMP C[C@@]1(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC[NH2+]C1 ZINC000261716686 289164772 /nfs/dbraw/zinc/16/47/72/289164772.db2.gz FFOAYXDBFPBEKS-QWHCGFSZSA-N 2 1 290.373 3.041 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677130716 543434768 /nfs/dbraw/zinc/43/47/68/543434768.db2.gz VWSNRFBNCDOZRQ-OGHNNQOOSA-N 2 1 292.373 3.169 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677130716 543434770 /nfs/dbraw/zinc/43/47/70/543434770.db2.gz VWSNRFBNCDOZRQ-OGHNNQOOSA-N 2 1 292.373 3.169 20 0 CGADMP C(=C\C[N@H+]1CC[C@@H](C2CC2)C1)\C[NH+]1CC[C@H](C2CC2)C1 ZINC000677905353 543472252 /nfs/dbraw/zinc/47/22/52/543472252.db2.gz SZQQATVIWYYYAB-OEHAVNEVSA-N 2 1 274.452 3.006 20 0 CGADMP C(=C\C[N@@H+]1CC[C@H](C2CC2)C1)\C[NH+]1CC[C@@H](C2CC2)C1 ZINC000677905353 543472254 /nfs/dbraw/zinc/47/22/54/543472254.db2.gz SZQQATVIWYYYAB-OEHAVNEVSA-N 2 1 274.452 3.006 20 0 CGADMP C(=C\C[N@H+]1CC[C@H](C2CC2)C1)\C[NH+]1CC[C@@H](C2CC2)C1 ZINC000677905353 543472256 /nfs/dbraw/zinc/47/22/56/543472256.db2.gz SZQQATVIWYYYAB-OEHAVNEVSA-N 2 1 274.452 3.006 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000678079338 543482252 /nfs/dbraw/zinc/48/22/52/543482252.db2.gz LKUJNGYQODQINI-MRXNPFEDSA-N 2 1 276.399 3.279 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)nc2C)C1 ZINC000678414938 543522393 /nfs/dbraw/zinc/52/23/93/543522393.db2.gz WMICIZPODNGKIE-GOEBONIOSA-N 2 1 275.440 3.081 20 0 CGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000678596967 543540352 /nfs/dbraw/zinc/54/03/52/543540352.db2.gz XPCLNSXVRXYRQW-HEHGZKQESA-N 2 1 296.842 3.100 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000678930323 543574080 /nfs/dbraw/zinc/57/40/80/543574080.db2.gz HVMAXAMDYGIZTF-RDTXWAMCSA-N 2 1 270.420 3.162 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)C12CCCC2 ZINC000224460282 286394875 /nfs/dbraw/zinc/39/48/75/286394875.db2.gz TVAFQQNDDFLPKD-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CSCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000075713677 165100118 /nfs/dbraw/zinc/10/01/18/165100118.db2.gz OOENPNKYGHTPTN-MRXNPFEDSA-N 2 1 284.513 3.328 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C12CCC2 ZINC000087709225 165191594 /nfs/dbraw/zinc/19/15/94/165191594.db2.gz GBRDHHJHVDAECX-GVDBMIGSSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749427 165212342 /nfs/dbraw/zinc/21/23/42/165212342.db2.gz YTLUTYCXDHVQFJ-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1Cl ZINC000090468970 165236384 /nfs/dbraw/zinc/23/63/84/165236384.db2.gz XEGXUMWIIHOYCX-XUJVJEKNSA-N 2 1 296.842 3.167 20 0 CGADMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Cl ZINC000090468970 165236387 /nfs/dbraw/zinc/23/63/87/165236387.db2.gz XEGXUMWIIHOYCX-XUJVJEKNSA-N 2 1 296.842 3.167 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000430711971 287107834 /nfs/dbraw/zinc/10/78/34/287107834.db2.gz GLWTURACUIBROD-XNISGKROSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc([C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)c(C)c1 ZINC000094010918 165344165 /nfs/dbraw/zinc/34/41/65/165344165.db2.gz UDLGHHUTHDOZOL-HNNXBMFYSA-N 2 1 260.425 3.296 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763631 287136969 /nfs/dbraw/zinc/13/69/69/287136969.db2.gz OZWVZDMFOUNTFJ-HNNXBMFYSA-N 2 1 283.419 3.055 20 0 CGADMP CCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000262089193 165849117 /nfs/dbraw/zinc/84/91/17/165849117.db2.gz UPIPHJOTHQTQDF-ZWKOTPCHSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193127740 287219254 /nfs/dbraw/zinc/21/92/54/287219254.db2.gz KIHBUTLLQMJDMY-WCXIOVBPSA-N 2 1 296.499 3.290 20 0 CGADMP CC1(C)CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000284211265 196003637 /nfs/dbraw/zinc/00/36/37/196003637.db2.gz GWHDATAWSJUIPJ-QZTJIDSGSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000020129081 171016322 /nfs/dbraw/zinc/01/63/22/171016322.db2.gz BYLKJMPXQUYZOK-GFCCVEGCSA-N 2 1 268.351 3.101 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000020189659 171055962 /nfs/dbraw/zinc/05/59/62/171055962.db2.gz QGEXIGVFZNWGNM-AWEZNQCLSA-N 2 1 276.424 3.220 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@H](C)C1 ZINC000126315524 287261470 /nfs/dbraw/zinc/26/14/70/287261470.db2.gz FKHXCKFUQXLWTR-AEFFLSMTSA-N 2 1 286.463 3.428 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]C1CC[NH+](C)CC1 ZINC000037248610 173061015 /nfs/dbraw/zinc/06/10/15/173061015.db2.gz UPRUEJZGBRJDKE-UHFFFAOYSA-N 2 1 284.403 3.032 20 0 CGADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000037318658 173119099 /nfs/dbraw/zinc/11/90/99/173119099.db2.gz CCSRGMIBJNZBNB-SFHVURJKSA-N 2 1 288.410 3.493 20 0 CGADMP CC(C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515608 173246695 /nfs/dbraw/zinc/24/66/95/173246695.db2.gz CNFJXDUEADPTQV-MRXNPFEDSA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000127376243 287286879 /nfs/dbraw/zinc/28/68/79/287286879.db2.gz WTEFULXINAOPNR-KTAKPFMOSA-N 2 1 278.415 3.392 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000127376243 287286880 /nfs/dbraw/zinc/28/68/80/287286880.db2.gz WTEFULXINAOPNR-KTAKPFMOSA-N 2 1 278.415 3.392 20 0 CGADMP C[N@H+](Cc1ccc(Cl)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746598 174392299 /nfs/dbraw/zinc/39/22/99/174392299.db2.gz OGYUMVGAAJJXRU-ZACCUICWSA-N 2 1 270.829 3.116 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746598 174392301 /nfs/dbraw/zinc/39/23/01/174392301.db2.gz OGYUMVGAAJJXRU-ZACCUICWSA-N 2 1 270.829 3.116 20 0 CGADMP C[C@H](CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000043533996 175063018 /nfs/dbraw/zinc/06/30/18/175063018.db2.gz WWGMKQKKCOVDIA-HZPDHXFCSA-N 2 1 272.436 3.254 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000129362764 287329558 /nfs/dbraw/zinc/32/95/58/287329558.db2.gz OZLWGDRHJNPZLO-YNEHKIRRSA-N 2 1 278.362 3.037 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000314444616 416538329 /nfs/dbraw/zinc/53/83/29/416538329.db2.gz AVRYYHHMRUBUOT-AWEZNQCLSA-N 2 1 271.408 3.266 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130178347 287346473 /nfs/dbraw/zinc/34/64/73/287346473.db2.gz LREJPAPLFXKBRC-BZUAXINKSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130178347 287346475 /nfs/dbraw/zinc/34/64/75/287346475.db2.gz LREJPAPLFXKBRC-BZUAXINKSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000367056981 287348379 /nfs/dbraw/zinc/34/83/79/287348379.db2.gz DSAJVNCFJJWVEA-SJORKVTESA-N 2 1 294.483 3.047 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679540288 543644122 /nfs/dbraw/zinc/64/41/22/543644122.db2.gz JSYMCKFNXUKCIY-DGCLKSJQSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679540288 543644124 /nfs/dbraw/zinc/64/41/24/543644124.db2.gz JSYMCKFNXUKCIY-DGCLKSJQSA-N 2 1 289.345 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679536196 543644253 /nfs/dbraw/zinc/64/42/53/543644253.db2.gz MCEMMMDEZGONJM-KRWDZBQOSA-N 2 1 283.419 3.243 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679536196 543644255 /nfs/dbraw/zinc/64/42/55/543644255.db2.gz MCEMMMDEZGONJM-KRWDZBQOSA-N 2 1 283.419 3.243 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000681412987 543788052 /nfs/dbraw/zinc/78/80/52/543788052.db2.gz YDBANPMFBWQDSM-YCPHGPKFSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC000130622662 287359568 /nfs/dbraw/zinc/35/95/68/287359568.db2.gz SZFMTAVZVWTXHV-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCCCCC2)CC[N@H+]1C ZINC000130622662 287359570 /nfs/dbraw/zinc/35/95/70/287359570.db2.gz SZFMTAVZVWTXHV-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000130622662 287359572 /nfs/dbraw/zinc/35/95/72/287359572.db2.gz SZFMTAVZVWTXHV-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000130622662 287359574 /nfs/dbraw/zinc/35/95/74/287359574.db2.gz SZFMTAVZVWTXHV-GDBMZVCRSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)CC[N@@H+]1C ZINC000682070655 543819763 /nfs/dbraw/zinc/81/97/63/543819763.db2.gz DWUFLMVHXNYTIL-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)CC[N@H+]1C ZINC000682070655 543819765 /nfs/dbraw/zinc/81/97/65/543819765.db2.gz DWUFLMVHXNYTIL-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)CC[NH+]1C ZINC000682070655 543819768 /nfs/dbraw/zinc/81/97/68/543819768.db2.gz DWUFLMVHXNYTIL-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)CC[NH+]1C ZINC000682070655 543819769 /nfs/dbraw/zinc/81/97/69/543819769.db2.gz DWUFLMVHXNYTIL-XJKSGUPXSA-N 2 1 271.408 3.082 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054442 287378201 /nfs/dbraw/zinc/37/82/01/287378201.db2.gz SAXPFDOZPQRUHJ-CHWSQXEVSA-N 2 1 250.430 3.028 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000131396391 287378737 /nfs/dbraw/zinc/37/87/37/287378737.db2.gz WTZNYVQRKOOWRI-KRWDZBQOSA-N 2 1 277.456 3.490 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683110209 543896004 /nfs/dbraw/zinc/89/60/04/543896004.db2.gz NXACEYLSSLFWPS-NXHRZFHOSA-N 2 1 272.436 3.144 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000132165362 287398469 /nfs/dbraw/zinc/39/84/69/287398469.db2.gz YDEKCKGCDKTIJU-MRXNPFEDSA-N 2 1 292.492 3.194 20 0 CGADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[nH+]c2c(O)cccc12 ZINC000684574961 544015616 /nfs/dbraw/zinc/01/56/16/544015616.db2.gz DXVOVAGPYCIADL-AWEZNQCLSA-N 2 1 299.418 3.251 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000684379011 543989231 /nfs/dbraw/zinc/98/92/31/543989231.db2.gz UFWCARRGEQMRGR-IKGGRYGDSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000684379011 543989234 /nfs/dbraw/zinc/98/92/34/543989234.db2.gz UFWCARRGEQMRGR-IKGGRYGDSA-N 2 1 296.499 3.434 20 0 CGADMP c1cc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccc2cn1 ZINC000684425627 543998715 /nfs/dbraw/zinc/99/87/15/543998715.db2.gz AHZMOBFIINONMZ-UHFFFAOYSA-N 2 1 295.430 3.341 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000685410743 544066076 /nfs/dbraw/zinc/06/60/76/544066076.db2.gz LAYATAWLAVHUTC-UJAVWCLSSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000685410743 544066078 /nfs/dbraw/zinc/06/60/78/544066078.db2.gz LAYATAWLAVHUTC-UJAVWCLSSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000685410743 544066079 /nfs/dbraw/zinc/06/60/79/544066079.db2.gz LAYATAWLAVHUTC-UJAVWCLSSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000685410743 544066081 /nfs/dbraw/zinc/06/60/81/544066081.db2.gz LAYATAWLAVHUTC-UJAVWCLSSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@H+](C/C=C/c1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000685410742 544066388 /nfs/dbraw/zinc/06/63/88/544066388.db2.gz LAYATAWLAVHUTC-SJDLMVEWSA-N 2 1 294.389 3.252 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000685410742 544066392 /nfs/dbraw/zinc/06/63/92/544066392.db2.gz LAYATAWLAVHUTC-SJDLMVEWSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000685410742 544066393 /nfs/dbraw/zinc/06/63/93/544066393.db2.gz LAYATAWLAVHUTC-SJDLMVEWSA-N 2 1 294.389 3.252 20 0 CGADMP C[NH+](C/C=C/c1ccc(F)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000685410742 544066398 /nfs/dbraw/zinc/06/63/98/544066398.db2.gz LAYATAWLAVHUTC-SJDLMVEWSA-N 2 1 294.389 3.252 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CCCc2cccnc21)C[NH+]1CCCC1 ZINC000684961235 544046099 /nfs/dbraw/zinc/04/60/99/544046099.db2.gz DQXXONLJEWUOAS-MRXNPFEDSA-N 2 1 287.451 3.171 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000685662235 544093254 /nfs/dbraw/zinc/09/32/54/544093254.db2.gz WMBPPUJYUOOGFI-LMSBXDPUSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000685662235 544093255 /nfs/dbraw/zinc/09/32/55/544093255.db2.gz WMBPPUJYUOOGFI-LMSBXDPUSA-N 2 1 274.452 3.497 20 0 CGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CCOCC1)CC(C)C ZINC000132944935 287414027 /nfs/dbraw/zinc/41/40/27/287414027.db2.gz XEMPMLLMKBJBIV-NVXWUHKLSA-N 2 1 284.488 3.148 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000652222536 418937106 /nfs/dbraw/zinc/93/71/06/418937106.db2.gz QYDMMLTTXKIEBI-OAHLLOKOSA-N 2 1 264.413 3.225 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000652222536 418937109 /nfs/dbraw/zinc/93/71/09/418937109.db2.gz QYDMMLTTXKIEBI-OAHLLOKOSA-N 2 1 264.413 3.225 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)c1cccnc1 ZINC000652222206 418937227 /nfs/dbraw/zinc/93/72/27/418937227.db2.gz HTTBIQJAFIZBHN-QGZVFWFLSA-N 2 1 277.456 3.490 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1cccnc1 ZINC000652222206 418937228 /nfs/dbraw/zinc/93/72/28/418937228.db2.gz HTTBIQJAFIZBHN-QGZVFWFLSA-N 2 1 277.456 3.490 20 0 CGADMP CC[C@H]([NH2+]CCC[N@@H+](CC)C1CCCCC1)[C@H]1CCOC1 ZINC000652237304 418939711 /nfs/dbraw/zinc/93/97/11/418939711.db2.gz KQWUTJWKLDMVDE-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000659929473 419035473 /nfs/dbraw/zinc/03/54/73/419035473.db2.gz ZLQYDAXXDMUHTO-CABCVRRESA-N 2 1 252.446 3.086 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000659929252 419036595 /nfs/dbraw/zinc/03/65/95/419036595.db2.gz YHBUGMUITMGLLA-MRXNPFEDSA-N 2 1 274.452 3.368 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000659929252 419036598 /nfs/dbraw/zinc/03/65/98/419036598.db2.gz YHBUGMUITMGLLA-MRXNPFEDSA-N 2 1 274.452 3.368 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659974155 419048962 /nfs/dbraw/zinc/04/89/62/419048962.db2.gz LISZMGSNHBKPQF-VSZNYVQBSA-N 2 1 276.468 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659974155 419048963 /nfs/dbraw/zinc/04/89/63/419048963.db2.gz LISZMGSNHBKPQF-VSZNYVQBSA-N 2 1 276.468 3.086 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659974155 419048968 /nfs/dbraw/zinc/04/89/68/419048968.db2.gz LISZMGSNHBKPQF-VSZNYVQBSA-N 2 1 276.468 3.086 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659975459 419049074 /nfs/dbraw/zinc/04/90/74/419049074.db2.gz LQOIXSSGOYFJLD-TWMKSMIVSA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655734636 419081546 /nfs/dbraw/zinc/08/15/46/419081546.db2.gz LHKSAEYIDKWWJF-ARFHVFGLSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000665239396 419088269 /nfs/dbraw/zinc/08/82/69/419088269.db2.gz SNVRAULFLIKUPY-RFQIPJPRSA-N 2 1 261.413 3.217 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237593 419088924 /nfs/dbraw/zinc/08/89/24/419088924.db2.gz FGDUAZMTIUQHFA-HUUCEWRRSA-N 2 1 258.365 3.182 20 0 CGADMP CC1CCC(C)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655765137 419090222 /nfs/dbraw/zinc/09/02/22/419090222.db2.gz ZLCUFNIAIQECNC-IIIMJFFVSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250468 419091652 /nfs/dbraw/zinc/09/16/52/419091652.db2.gz RZCVNNNOKPKEPA-MUIFIZLQSA-N 2 1 260.425 3.156 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252716 419093648 /nfs/dbraw/zinc/09/36/48/419093648.db2.gz XIPJVFKBZBQHCZ-BMGDILEWSA-N 2 1 272.436 3.300 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000660178656 419094823 /nfs/dbraw/zinc/09/48/23/419094823.db2.gz KPEAULPPEJEMQA-HZPDHXFCSA-N 2 1 298.858 3.082 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000660178656 419094826 /nfs/dbraw/zinc/09/48/26/419094826.db2.gz KPEAULPPEJEMQA-HZPDHXFCSA-N 2 1 298.858 3.082 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CCCCC1 ZINC000665283447 419102858 /nfs/dbraw/zinc/10/28/58/419102858.db2.gz OCVGSMNTNPIUFR-OLZOCXBDSA-N 2 1 261.413 3.361 20 0 CGADMP COc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1C ZINC000665294024 419107957 /nfs/dbraw/zinc/10/79/57/419107957.db2.gz GYVPIYKNVSUKOP-SJORKVTESA-N 2 1 282.387 3.238 20 0 CGADMP C[C@H]([NH2+]CCC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257486 419114837 /nfs/dbraw/zinc/11/48/37/419114837.db2.gz UIGXXRBZOBQZEA-GOEBONIOSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982737 419051200 /nfs/dbraw/zinc/05/12/00/419051200.db2.gz VTNAIJYTTKYEKT-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982737 419051204 /nfs/dbraw/zinc/05/12/04/419051204.db2.gz VTNAIJYTTKYEKT-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982737 419051208 /nfs/dbraw/zinc/05/12/08/419051208.db2.gz VTNAIJYTTKYEKT-WMZOPIPTSA-N 2 1 296.499 3.245 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)C3CC3)CC[C@@H]21 ZINC000653570677 419052331 /nfs/dbraw/zinc/05/23/31/419052331.db2.gz ZJCSCFMQHRMXAI-HOCLYGCPSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(C)(C)C1CC1 ZINC000653587879 419055466 /nfs/dbraw/zinc/05/54/66/419055466.db2.gz XLBAAHMADLTDKN-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(C)(C)C1CC1 ZINC000653587879 419055470 /nfs/dbraw/zinc/05/54/70/419055470.db2.gz XLBAAHMADLTDKN-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000655710490 419072327 /nfs/dbraw/zinc/07/23/27/419072327.db2.gz BYRSLXATQUPOKF-RDJZCZTQSA-N 2 1 272.436 3.222 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655714864 419074097 /nfs/dbraw/zinc/07/40/97/419074097.db2.gz FSMPRBQNZZFGRN-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000653750656 419078630 /nfs/dbraw/zinc/07/86/30/419078630.db2.gz NDGBBGHXNFIFTC-MRXNPFEDSA-N 2 1 285.391 3.173 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000653750656 419078634 /nfs/dbraw/zinc/07/86/34/419078634.db2.gz NDGBBGHXNFIFTC-MRXNPFEDSA-N 2 1 285.391 3.173 20 0 CGADMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCC1 ZINC000660115416 419079445 /nfs/dbraw/zinc/07/94/45/419079445.db2.gz MYFJVBSNORWRHP-NVXWUHKLSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCC1 ZINC000660115416 419079449 /nfs/dbraw/zinc/07/94/49/419079449.db2.gz MYFJVBSNORWRHP-NVXWUHKLSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCC1 ZINC000660115416 419079451 /nfs/dbraw/zinc/07/94/51/419079451.db2.gz MYFJVBSNORWRHP-NVXWUHKLSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[N@H+]1CCC[C@H]1CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000655949354 419130084 /nfs/dbraw/zinc/13/00/84/419130084.db2.gz UTGDLEZKDGDOGG-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP CCC[N@@H+](CCc1cncn1C)Cc1ccc(C)cc1 ZINC000656399138 419168614 /nfs/dbraw/zinc/16/86/14/419168614.db2.gz ZFAOZAUREFRXIW-UHFFFAOYSA-N 2 1 271.408 3.183 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2ccccn2)C1 ZINC000660632871 419172201 /nfs/dbraw/zinc/17/22/01/419172201.db2.gz XZNWAQHHXBFNEH-SJORKVTESA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660632871 419172202 /nfs/dbraw/zinc/17/22/02/419172202.db2.gz XZNWAQHHXBFNEH-SJORKVTESA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660632871 419172205 /nfs/dbraw/zinc/17/22/05/419172205.db2.gz XZNWAQHHXBFNEH-SJORKVTESA-N 2 1 287.451 3.135 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660663691 419179607 /nfs/dbraw/zinc/17/96/07/419179607.db2.gz PFMGYKRVQBOTHB-CVEARBPZSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660663691 419179609 /nfs/dbraw/zinc/17/96/09/419179609.db2.gz PFMGYKRVQBOTHB-CVEARBPZSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660663691 419179611 /nfs/dbraw/zinc/17/96/11/419179611.db2.gz PFMGYKRVQBOTHB-CVEARBPZSA-N 2 1 252.446 3.086 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941350 419128889 /nfs/dbraw/zinc/12/88/89/419128889.db2.gz RBOPIOJMMXWADS-LSDHHAIUSA-N 2 1 292.854 3.470 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657324909 419250982 /nfs/dbraw/zinc/25/09/82/419250982.db2.gz HQHXNLNLTXCHOG-CYBMUJFWSA-N 2 1 289.448 3.118 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785149 419217817 /nfs/dbraw/zinc/21/78/17/419217817.db2.gz JOYDGBSFJKRVEQ-OAHLLOKOSA-N 2 1 278.465 3.268 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000657182627 419230167 /nfs/dbraw/zinc/23/01/67/419230167.db2.gz FRESPANHAWGCLS-MRXNPFEDSA-N 2 1 274.452 3.286 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661870028 419309832 /nfs/dbraw/zinc/30/98/32/419309832.db2.gz BCAOIFNRIZWRQV-ZWKOTPCHSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661880542 419312161 /nfs/dbraw/zinc/31/21/61/419312161.db2.gz PGWPCTDXGXTNBU-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661880542 419312164 /nfs/dbraw/zinc/31/21/64/419312164.db2.gz PGWPCTDXGXTNBU-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661880542 419312165 /nfs/dbraw/zinc/31/21/65/419312165.db2.gz PGWPCTDXGXTNBU-KZNAEPCWSA-N 2 1 294.483 3.142 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000657677928 419326370 /nfs/dbraw/zinc/32/63/70/419326370.db2.gz JTRLDFLGZLCJEE-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000657677928 419326372 /nfs/dbraw/zinc/32/63/72/419326372.db2.gz JTRLDFLGZLCJEE-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000657678037 419326386 /nfs/dbraw/zinc/32/63/86/419326386.db2.gz LQDISOFJCHSXKK-QLFBSQMISA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000657678037 419326387 /nfs/dbraw/zinc/32/63/87/419326387.db2.gz LQDISOFJCHSXKK-QLFBSQMISA-N 2 1 250.430 3.172 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662044687 419327442 /nfs/dbraw/zinc/32/74/42/419327442.db2.gz SPTOSSOCBAUDOS-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662045256 419329223 /nfs/dbraw/zinc/32/92/23/419329223.db2.gz WNJFYSHWVDKSQZ-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662045256 419329225 /nfs/dbraw/zinc/32/92/25/419329225.db2.gz WNJFYSHWVDKSQZ-MRXNPFEDSA-N 2 1 261.413 3.094 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCC(F)CC1 ZINC000661999582 419322511 /nfs/dbraw/zinc/32/25/11/419322511.db2.gz HMXYDBQWVIGUEI-LBDPXKHJSA-N 2 1 270.436 3.367 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](CCC1CC1)CC1CC1 ZINC000662179537 419352402 /nfs/dbraw/zinc/35/24/02/419352402.db2.gz PYROQBLQQHTZKC-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](CCC1CC1)CC1CC1 ZINC000662179537 419352405 /nfs/dbraw/zinc/35/24/05/419352405.db2.gz PYROQBLQQHTZKC-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](CCC1CC1)CC1CC1 ZINC000662178839 419352282 /nfs/dbraw/zinc/35/22/82/419352282.db2.gz HZZUWJDSTFMPDK-UHFFFAOYSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCC1CC1)CC1CC1 ZINC000662178839 419352287 /nfs/dbraw/zinc/35/22/87/419352287.db2.gz HZZUWJDSTFMPDK-UHFFFAOYSA-N 2 1 275.440 3.484 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662197172 419356307 /nfs/dbraw/zinc/35/63/07/419356307.db2.gz RVSRZXQWSOIOQU-INIZCTEOSA-N 2 1 283.419 3.015 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662197172 419356314 /nfs/dbraw/zinc/35/63/14/419356314.db2.gz RVSRZXQWSOIOQU-INIZCTEOSA-N 2 1 283.419 3.015 20 0 CGADMP c1ccc2c(c1)[nH]c1c2C[N@@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000662299021 419388355 /nfs/dbraw/zinc/38/83/55/419388355.db2.gz IYGROZPRBZVZPY-UHFFFAOYSA-N 2 1 297.446 3.306 20 0 CGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000662312586 419389934 /nfs/dbraw/zinc/38/99/34/419389934.db2.gz IKTGUMUXJBPJJD-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2CC1(c1ccccc1)C2 ZINC000662331588 419391980 /nfs/dbraw/zinc/39/19/80/419391980.db2.gz NYRAUHNIGGEWSP-IIIMJFFVSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331588 419391983 /nfs/dbraw/zinc/39/19/83/419391983.db2.gz NYRAUHNIGGEWSP-IIIMJFFVSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331588 419391987 /nfs/dbraw/zinc/39/19/87/419391987.db2.gz NYRAUHNIGGEWSP-IIIMJFFVSA-N 2 1 270.420 3.092 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)C[C@H]21 ZINC000662267258 419376350 /nfs/dbraw/zinc/37/63/50/419376350.db2.gz TZNAFMAXNYUQKM-QFHJOOASSA-N 2 1 284.447 3.166 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000662263157 419376536 /nfs/dbraw/zinc/37/65/36/419376536.db2.gz IBFUQVWBTRCKAX-KBPBESRZSA-N 2 1 274.399 3.276 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCSCC1)C1CCCCC1 ZINC000657839551 419380826 /nfs/dbraw/zinc/38/08/26/419380826.db2.gz BSEFWNLDBLYMCA-HZPDHXFCSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657837462 419381632 /nfs/dbraw/zinc/38/16/32/419381632.db2.gz GLHNODHJVXHNGJ-AWEZNQCLSA-N 2 1 288.426 3.176 20 0 CGADMP CO[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C1CCCCC1 ZINC000662276701 419383093 /nfs/dbraw/zinc/38/30/93/419383093.db2.gz LGSUPBKNBSPLDM-IAGOWNOFSA-N 2 1 282.472 3.079 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000657842376 419384625 /nfs/dbraw/zinc/38/46/25/419384625.db2.gz BAFOEVYKDQSAJU-ZIAGYGMSSA-N 2 1 287.407 3.210 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000657842376 419384629 /nfs/dbraw/zinc/38/46/29/419384629.db2.gz BAFOEVYKDQSAJU-ZIAGYGMSSA-N 2 1 287.407 3.210 20 0 CGADMP CCOC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000657845587 419386159 /nfs/dbraw/zinc/38/61/59/419386159.db2.gz SDDMDKGOEASULK-CPFNUKBASA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)c1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000662284699 419386239 /nfs/dbraw/zinc/38/62/39/419386239.db2.gz YVMRODJUJOBAES-UHFFFAOYSA-N 2 1 258.409 3.138 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657907873 419430030 /nfs/dbraw/zinc/43/00/30/419430030.db2.gz DDUUKEPIGRCCCG-ZDUSSCGKSA-N 2 1 287.407 3.351 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CC1(C)C ZINC000663344340 419567839 /nfs/dbraw/zinc/56/78/39/419567839.db2.gz RVNXCADLOBOZAR-BPUTZDHNSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1cc(F)ccc1C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658089684 419561839 /nfs/dbraw/zinc/56/18/39/419561839.db2.gz AAELFNAYBOTYLY-CQSZACIVSA-N 2 1 290.426 3.282 20 0 CGADMP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000663346625 419565460 /nfs/dbraw/zinc/56/54/60/419565460.db2.gz BHHZXVCNXQZKDO-PXNSSMCTSA-N 2 1 298.474 3.256 20 0 CGADMP C[N@@H+](CCNc1[nH+]ccc2[nH]ccc21)C1CCCCC1 ZINC000663440251 419605035 /nfs/dbraw/zinc/60/50/35/419605035.db2.gz HLGSNUHVHLLVFY-UHFFFAOYSA-N 2 1 272.396 3.239 20 0 CGADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)C1 ZINC000658128969 419607196 /nfs/dbraw/zinc/60/71/96/419607196.db2.gz YZJVMOIBSQRMQY-DGADGQDISA-N 2 1 252.446 3.131 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658163952 419627136 /nfs/dbraw/zinc/62/71/36/419627136.db2.gz UEJWUYOSCUZDGH-OWQGQXMQSA-N 2 1 299.418 3.399 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229684 419688860 /nfs/dbraw/zinc/68/88/60/419688860.db2.gz SZHUVQLHLJVJCT-LZLYRXPVSA-N 2 1 294.483 3.188 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229684 419688874 /nfs/dbraw/zinc/68/88/74/419688874.db2.gz SZHUVQLHLJVJCT-LZLYRXPVSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC(F)CC1 ZINC000658288835 419736169 /nfs/dbraw/zinc/73/61/69/419736169.db2.gz FSGHGZSKKKDYNU-IYXRBSQSSA-N 2 1 268.420 3.120 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccccc2)CCC1 ZINC000179449371 260048470 /nfs/dbraw/zinc/04/84/70/260048470.db2.gz HRJJIGSWDHRTBE-MRXNPFEDSA-N 2 1 258.409 3.140 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322975638 260113216 /nfs/dbraw/zinc/11/32/16/260113216.db2.gz ZPTLNVYEQNHELJ-BLNMRFBMSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(O)c1 ZINC000037786219 260118038 /nfs/dbraw/zinc/11/80/38/260118038.db2.gz UFXIMNGDQKFHEG-ZDUSSCGKSA-N 2 1 276.424 3.306 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300316192 261193036 /nfs/dbraw/zinc/19/30/36/261193036.db2.gz ZHPFUYQPLORXAM-HIFRSBDPSA-N 2 1 285.435 3.059 20 0 CGADMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300316192 261193037 /nfs/dbraw/zinc/19/30/37/261193037.db2.gz ZHPFUYQPLORXAM-HIFRSBDPSA-N 2 1 285.435 3.059 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000036907997 270028420 /nfs/dbraw/zinc/02/84/20/270028420.db2.gz UKEUGKKNKDGJMS-IIAWOOMASA-N 2 1 250.430 3.195 20 0 CGADMP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533569 270036429 /nfs/dbraw/zinc/03/64/29/270036429.db2.gz OHWZKBFQXLYOPT-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044535713 270036851 /nfs/dbraw/zinc/03/68/51/270036851.db2.gz XWBSGYJGYCKGHY-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000105457423 270047519 /nfs/dbraw/zinc/04/75/19/270047519.db2.gz AYRBKLLJTZTGAQ-OAHLLOKOSA-N 2 1 252.446 3.419 20 0 CGADMP C1C[C@H]2C[C@@H]([NH2+]C3C4CC5CC(C4)CC3C5)CC[N@H+]2C1 ZINC000106868900 270049053 /nfs/dbraw/zinc/04/90/53/270049053.db2.gz VJOLCHNHPKZXQB-NNBWVPJWSA-N 2 1 274.452 3.028 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182823100 270054406 /nfs/dbraw/zinc/05/44/06/270054406.db2.gz KOSAWCWIBNYYOE-QGZVFWFLSA-N 2 1 292.442 3.422 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182823100 270054407 /nfs/dbraw/zinc/05/44/07/270054407.db2.gz KOSAWCWIBNYYOE-QGZVFWFLSA-N 2 1 292.442 3.422 20 0 CGADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000227497265 270087023 /nfs/dbraw/zinc/08/70/23/270087023.db2.gz BSSYTQZEIWEAQH-UONOGXRCSA-N 2 1 269.392 3.438 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322872618 270094283 /nfs/dbraw/zinc/09/42/83/270094283.db2.gz YSOHPBHVQNQATK-MNFFZHCASA-N 2 1 250.430 3.026 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000521122640 270100386 /nfs/dbraw/zinc/10/03/86/270100386.db2.gz XUWIMWYHCDXGOZ-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000521122640 270100387 /nfs/dbraw/zinc/10/03/87/270100387.db2.gz XUWIMWYHCDXGOZ-PMPSAXMXSA-N 2 1 282.472 3.044 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C1CCC1)C1CCC1 ZINC000527734701 270133219 /nfs/dbraw/zinc/13/32/19/270133219.db2.gz MAJLPXFUSZANJF-IAGOWNOFSA-N 2 1 276.468 3.419 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527864707 270140637 /nfs/dbraw/zinc/14/06/37/270140637.db2.gz KEDMUHDEDNQRJD-KBAYOESNSA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527864707 270140638 /nfs/dbraw/zinc/14/06/38/270140638.db2.gz KEDMUHDEDNQRJD-KBAYOESNSA-N 2 1 274.452 3.470 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527844388 270139302 /nfs/dbraw/zinc/13/93/02/270139302.db2.gz BMTDSQGOLJJOGM-FZKCQIBNSA-N 2 1 264.457 3.133 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000527846721 270139568 /nfs/dbraw/zinc/13/95/68/270139568.db2.gz MNWQRIRYOOGQAQ-INIZCTEOSA-N 2 1 260.425 3.082 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC12CC2 ZINC000527848419 270139669 /nfs/dbraw/zinc/13/96/69/270139669.db2.gz OOJQJPVVLNDXHI-YJBOKZPZSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC12CC2 ZINC000527848419 270139670 /nfs/dbraw/zinc/13/96/70/270139670.db2.gz OOJQJPVVLNDXHI-YJBOKZPZSA-N 2 1 284.447 3.213 20 0 CGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527855992 270140055 /nfs/dbraw/zinc/14/00/55/270140055.db2.gz XUPPUYFBIRNHRF-XFIYOXNOSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527855992 270140056 /nfs/dbraw/zinc/14/00/56/270140056.db2.gz XUPPUYFBIRNHRF-XFIYOXNOSA-N 2 1 264.457 3.131 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000527983136 270148121 /nfs/dbraw/zinc/14/81/21/270148121.db2.gz SSZIMPYOEXQQJK-YNEHKIRRSA-N 2 1 276.415 3.376 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530225956 270196601 /nfs/dbraw/zinc/19/66/01/270196601.db2.gz YFKQZBUSHUTTPS-CVEARBPZSA-N 2 1 258.409 3.258 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000530513205 270200755 /nfs/dbraw/zinc/20/07/55/270200755.db2.gz RPVXBOZCQCWLOZ-SJLPKXTDSA-N 2 1 283.419 3.063 20 0 CGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](CC)C1CCOCC1 ZINC000532215147 270214481 /nfs/dbraw/zinc/21/44/81/270214481.db2.gz IXWIAZSFPQCYNT-ZWKOTPCHSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](CC)C1CCOCC1 ZINC000532215147 270214482 /nfs/dbraw/zinc/21/44/82/270214482.db2.gz IXWIAZSFPQCYNT-ZWKOTPCHSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000532508785 270216646 /nfs/dbraw/zinc/21/66/46/270216646.db2.gz HTMVDENZUNUGQU-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532522962 270216836 /nfs/dbraw/zinc/21/68/36/270216836.db2.gz KQOVIXXNKHFHFO-YCPHGPKFSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532522962 270216837 /nfs/dbraw/zinc/21/68/37/270216837.db2.gz KQOVIXXNKHFHFO-YCPHGPKFSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CC[N@H+](CCNCc2cccc(-c3ccccn3)c2)C1 ZINC000533038950 270220901 /nfs/dbraw/zinc/22/09/01/270220901.db2.gz WEDFJEQYFZBEJX-MRXNPFEDSA-N 2 1 295.430 3.180 20 0 CGADMP C[C@@H]1CC[N@@H+](CCNCc2cccc(-c3ccccn3)c2)C1 ZINC000533038950 270220902 /nfs/dbraw/zinc/22/09/02/270220902.db2.gz WEDFJEQYFZBEJX-MRXNPFEDSA-N 2 1 295.430 3.180 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422829931 273722414 /nfs/dbraw/zinc/72/24/14/273722414.db2.gz CHZSTNNWTZKWSZ-IKGGRYGDSA-N 2 1 290.476 3.137 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000339455014 273823210 /nfs/dbraw/zinc/82/32/10/273823210.db2.gz MAWIYLHVRMKVFB-IEBWSBKVSA-N 2 1 295.430 3.431 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])CC(C)C)CCC2 ZINC000423258349 274138836 /nfs/dbraw/zinc/13/88/36/274138836.db2.gz BKCGSEYJANIHTA-WMLDXEAASA-N 2 1 276.424 3.036 20 0 CGADMP CSc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000335398100 274188585 /nfs/dbraw/zinc/18/85/85/274188585.db2.gz FNDRJRXXMWRSMF-QGZVFWFLSA-N 2 1 290.476 3.470 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000340441789 274339809 /nfs/dbraw/zinc/33/98/09/274339809.db2.gz WSGVNAXZICJSCL-SIZVQLJJSA-N 2 1 286.463 3.499 20 0 CGADMP C[C@@](C[NH3+])([NH2+]CCCOc1ccc2ccccc2c1)C1CC1 ZINC000430593534 274447935 /nfs/dbraw/zinc/44/79/35/274447935.db2.gz DZBUUVSSTCWRRK-IBGZPJMESA-N 2 1 298.430 3.326 20 0 CGADMP CC(C)(C)[C@H]([NH2+]CC1C[NH2+]C1)c1cc2ccccc2o1 ZINC000423306171 275531387 /nfs/dbraw/zinc/53/13/87/275531387.db2.gz SGKWNLFCUYQHMO-MRXNPFEDSA-N 2 1 272.392 3.329 20 0 CGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276718859 275744947 /nfs/dbraw/zinc/74/49/47/275744947.db2.gz WNAYGIJWQLYVBF-CQSZACIVSA-N 2 1 271.408 3.437 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000359093414 276000835 /nfs/dbraw/zinc/00/08/35/276000835.db2.gz TXBAZFJCYXOFOJ-IKGGRYGDSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414797632 276042008 /nfs/dbraw/zinc/04/20/08/276042008.db2.gz BILBZFXCQZEHPB-IAGOWNOFSA-N 2 1 260.425 3.115 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)[NH+]1CCCC1 ZINC000434784948 287864839 /nfs/dbraw/zinc/86/48/39/287864839.db2.gz OIOGHXHSZDIUPC-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261687745 276052624 /nfs/dbraw/zinc/05/26/24/276052624.db2.gz AVDZCODANFEDJM-QGZVFWFLSA-N 2 1 260.425 3.241 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177832776 276075250 /nfs/dbraw/zinc/07/52/50/276075250.db2.gz NLQPJOFQIXEASL-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177832776 276075251 /nfs/dbraw/zinc/07/52/51/276075251.db2.gz NLQPJOFQIXEASL-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177832776 276075252 /nfs/dbraw/zinc/07/52/52/276075252.db2.gz NLQPJOFQIXEASL-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177832776 276075254 /nfs/dbraw/zinc/07/52/54/276075254.db2.gz NLQPJOFQIXEASL-CXAGYDPISA-N 2 1 276.399 3.087 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000338282016 276095597 /nfs/dbraw/zinc/09/55/97/276095597.db2.gz OZQNCCJQLYIKAX-QAPCUYQASA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000338282016 276095598 /nfs/dbraw/zinc/09/55/98/276095598.db2.gz OZQNCCJQLYIKAX-QAPCUYQASA-N 2 1 290.451 3.042 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000338323674 276096699 /nfs/dbraw/zinc/09/66/99/276096699.db2.gz WMNFXSUEPVNMNF-OAHLLOKOSA-N 2 1 260.425 3.165 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000338323674 276096701 /nfs/dbraw/zinc/09/67/01/276096701.db2.gz WMNFXSUEPVNMNF-OAHLLOKOSA-N 2 1 260.425 3.165 20 0 CGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000344763549 276109312 /nfs/dbraw/zinc/10/93/12/276109312.db2.gz FVDZZPDMHWIIKY-UKRRQHHQSA-N 2 1 281.469 3.133 20 0 CGADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000420371052 276132565 /nfs/dbraw/zinc/13/25/65/276132565.db2.gz KBGKXXBXUIXWLO-STQMWFEESA-N 2 1 292.389 3.287 20 0 CGADMP CC1(C)[C@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@H]2CCCO[C@@H]21 ZINC000423280495 276163162 /nfs/dbraw/zinc/16/31/62/276163162.db2.gz STGJWEDIZCVOIB-ZACQAIPSSA-N 2 1 294.483 3.092 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449108333 276165829 /nfs/dbraw/zinc/16/58/29/276165829.db2.gz ULMGNONPNXIIFR-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H](C)C1 ZINC000294955195 276217328 /nfs/dbraw/zinc/21/73/28/276217328.db2.gz DJKNEFGRXOQGTL-MUIFIZLQSA-N 2 1 288.435 3.219 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)[C@H](C)C1 ZINC000294955195 276217331 /nfs/dbraw/zinc/21/73/31/276217331.db2.gz DJKNEFGRXOQGTL-MUIFIZLQSA-N 2 1 288.435 3.219 20 0 CGADMP CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423005282 287910180 /nfs/dbraw/zinc/91/01/80/287910180.db2.gz RBFMBVOXOQYYBI-SQWLQELKSA-N 2 1 278.465 3.287 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCCC2)C1 ZINC000370496640 277046251 /nfs/dbraw/zinc/04/62/51/277046251.db2.gz SDFOABZIAPURPB-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC2(CCCC2)C1 ZINC000370496640 277046253 /nfs/dbraw/zinc/04/62/53/277046253.db2.gz SDFOABZIAPURPB-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC2(CCCC2)C1 ZINC000370496640 277046254 /nfs/dbraw/zinc/04/62/54/277046254.db2.gz SDFOABZIAPURPB-HNNXBMFYSA-N 2 1 250.430 3.127 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000459797423 277073486 /nfs/dbraw/zinc/07/34/86/277073486.db2.gz WQGOQSHKBPKQHR-CXAGYDPISA-N 2 1 292.854 3.129 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429510311 277188958 /nfs/dbraw/zinc/18/89/58/277188958.db2.gz IAQFLWJVOYVWFW-CVEARBPZSA-N 2 1 296.499 3.434 20 0 CGADMP COC1(C[C@H](C)[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429510311 277188959 /nfs/dbraw/zinc/18/89/59/277188959.db2.gz IAQFLWJVOYVWFW-CVEARBPZSA-N 2 1 296.499 3.434 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000369721337 277209642 /nfs/dbraw/zinc/20/96/42/277209642.db2.gz MTTRSNPLOVTDRD-DOTOQJQBSA-N 2 1 282.472 3.188 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000040592199 277283487 /nfs/dbraw/zinc/28/34/87/277283487.db2.gz GCZMPMUOJQLIAY-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000040592199 277283488 /nfs/dbraw/zinc/28/34/88/277283488.db2.gz GCZMPMUOJQLIAY-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414730232 277334847 /nfs/dbraw/zinc/33/48/47/277334847.db2.gz AJOMIGWSEXWBFH-XEZPLFJOSA-N 2 1 298.858 3.379 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449204882 277392358 /nfs/dbraw/zinc/39/23/58/277392358.db2.gz JWXJGVOSPFGNJL-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423261809 277438925 /nfs/dbraw/zinc/43/89/25/277438925.db2.gz KYAHCCWTGGDEHZ-YPMHNXCESA-N 2 1 262.388 3.163 20 0 CGADMP C[C@@H](CCC1CCCC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415065486 277562030 /nfs/dbraw/zinc/56/20/30/277562030.db2.gz MWQNILGTZSWMHM-XJKSGUPXSA-N 2 1 252.446 3.452 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]12 ZINC000394601809 288002445 /nfs/dbraw/zinc/00/24/45/288002445.db2.gz DJYRTJKYANBICM-HRCADAONSA-N 2 1 250.430 3.016 20 0 CGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](C[NH2+]C)C2)C1 ZINC000394613768 288002781 /nfs/dbraw/zinc/00/27/81/288002781.db2.gz JXLZDLFGQOJKPY-OAGGEKHMSA-N 2 1 252.446 3.134 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(CSC)CC1 ZINC000395374506 288008730 /nfs/dbraw/zinc/00/87/30/288008730.db2.gz PGZKFHOTLJMKQS-NFOMZHRRSA-N 2 1 272.502 3.228 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(CSC)CC1 ZINC000395374506 288008731 /nfs/dbraw/zinc/00/87/31/288008731.db2.gz PGZKFHOTLJMKQS-NFOMZHRRSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000397425132 288023725 /nfs/dbraw/zinc/02/37/25/288023725.db2.gz XBCVCYFDWCYFMI-IVSAIRAKSA-N 2 1 260.425 3.095 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CC1(C)C ZINC000397595851 288024730 /nfs/dbraw/zinc/02/47/30/288024730.db2.gz DJOWIGBMBXCHOV-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397673105 288026907 /nfs/dbraw/zinc/02/69/07/288026907.db2.gz GICSDOCZXAWZFL-AQBKWJQSSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866940 288033145 /nfs/dbraw/zinc/03/31/45/288033145.db2.gz GKQZEADTAHZMRD-YJBOKZPZSA-N 2 1 298.434 3.115 20 0 CGADMP C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866940 288033149 /nfs/dbraw/zinc/03/31/49/288033149.db2.gz GKQZEADTAHZMRD-YJBOKZPZSA-N 2 1 298.434 3.115 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414075581 278343505 /nfs/dbraw/zinc/34/35/05/278343505.db2.gz PDAAYTRQYAUKCK-QKPAOTATSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000422785187 288074548 /nfs/dbraw/zinc/07/45/48/288074548.db2.gz PDTMLBQWSMFIEU-YESZJQIVSA-N 2 1 267.376 3.267 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000459384312 288086789 /nfs/dbraw/zinc/08/67/89/288086789.db2.gz VPSAGBLYQHMHTA-ZFWWWQNUSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000459384312 288086791 /nfs/dbraw/zinc/08/67/91/288086791.db2.gz VPSAGBLYQHMHTA-ZFWWWQNUSA-N 2 1 288.426 3.474 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000459384312 288086793 /nfs/dbraw/zinc/08/67/93/288086793.db2.gz VPSAGBLYQHMHTA-ZFWWWQNUSA-N 2 1 288.426 3.474 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248882745 279036836 /nfs/dbraw/zinc/03/68/36/279036836.db2.gz XFGKRENYYVBPRP-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248882745 279036837 /nfs/dbraw/zinc/03/68/37/279036837.db2.gz XFGKRENYYVBPRP-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248882745 279036838 /nfs/dbraw/zinc/03/68/38/279036838.db2.gz XFGKRENYYVBPRP-DLBZAZTESA-N 2 1 294.483 3.142 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000410414900 279096335 /nfs/dbraw/zinc/09/63/35/279096335.db2.gz TVMLINGNGFSGBP-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410414900 279096338 /nfs/dbraw/zinc/09/63/38/279096338.db2.gz TVMLINGNGFSGBP-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410414900 279096341 /nfs/dbraw/zinc/09/63/41/279096341.db2.gz TVMLINGNGFSGBP-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262011027 279157680 /nfs/dbraw/zinc/15/76/80/279157680.db2.gz VCBFQXCENNEPAU-RBUKOAKNSA-N 2 1 286.463 3.331 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccncc1 ZINC000423262231 280193060 /nfs/dbraw/zinc/19/30/60/280193060.db2.gz MBGFPIDSNRDHOD-CVEARBPZSA-N 2 1 261.413 3.030 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529537267 288259706 /nfs/dbraw/zinc/25/97/06/288259706.db2.gz UWAAXPIQKHCEDJ-CHWSQXEVSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459397347 280792981 /nfs/dbraw/zinc/79/29/81/280792981.db2.gz DDJXJFPEQFFINL-UHFFFAOYSA-N 2 1 286.463 3.489 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C2CCCC2)o1 ZINC000423317330 280950655 /nfs/dbraw/zinc/95/06/55/280950655.db2.gz KKTKMQAFVMBODP-HOCLYGCPSA-N 2 1 262.397 3.146 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268874060 281059559 /nfs/dbraw/zinc/05/95/59/281059559.db2.gz DNCYTINHZIDSBT-KMFMINBZSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268874060 281059560 /nfs/dbraw/zinc/05/95/60/281059560.db2.gz DNCYTINHZIDSBT-KMFMINBZSA-N 2 1 258.409 3.055 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC1(C)C)c1c[nH+]ccc1N ZINC000530213479 288300539 /nfs/dbraw/zinc/30/05/39/288300539.db2.gz VUMAIIXWULRYKM-QWHCGFSZSA-N 2 1 261.413 3.361 20 0 CGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420300060 281281276 /nfs/dbraw/zinc/28/12/76/281281276.db2.gz HALLWOCRRLHOBL-JSGCOSHPSA-N 2 1 264.438 3.057 20 0 CGADMP Cc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c[nH+]c12 ZINC000462481325 281306330 /nfs/dbraw/zinc/30/63/30/281306330.db2.gz RSMMCKVLHJJRSF-LSDHHAIUSA-N 2 1 283.419 3.168 20 0 CGADMP Cc1ccccc1[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420294208 281392653 /nfs/dbraw/zinc/39/26/53/281392653.db2.gz AXJDYONOWSEFCQ-IRXDYDNUSA-N 2 1 272.436 3.174 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCCC3)CCCC1 ZINC000353249440 282045947 /nfs/dbraw/zinc/04/59/47/282045947.db2.gz MPRIAFSCOMFVKU-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccccc1CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549839883 289055668 /nfs/dbraw/zinc/05/56/68/289055668.db2.gz BKHJTDAQAZZJKF-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP c1oc2ccccc2c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000550826242 289085039 /nfs/dbraw/zinc/08/50/39/289085039.db2.gz CHNVNJOFLSEMFO-UHFFFAOYSA-N 2 1 284.403 3.397 20 0 CGADMP CC1=CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000550930851 289091639 /nfs/dbraw/zinc/09/16/39/289091639.db2.gz KPVZWBNZASPCQJ-IAGOWNOFSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919469 289097473 /nfs/dbraw/zinc/09/74/73/289097473.db2.gz VHGAIZASLVWKJE-OLZOCXBDSA-N 2 1 264.438 3.057 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552058049 289156044 /nfs/dbraw/zinc/15/60/44/289156044.db2.gz SSKRGILBQPNHIR-HVAWUNSQSA-N 2 1 270.420 3.162 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000552062024 289157564 /nfs/dbraw/zinc/15/75/64/289157564.db2.gz IRGHNPCQHNQPJZ-ZWJWXYIHSA-N 2 1 284.447 3.080 20 0 CGADMP CC[N@H+]1CCN(c2ccnc3ccc(Cl)cc32)[C@H](C)C1 ZINC000553604021 289231510 /nfs/dbraw/zinc/23/15/10/289231510.db2.gz MKNJYKHKKZISHK-GFCCVEGCSA-N 2 1 289.810 3.419 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000554384905 289280196 /nfs/dbraw/zinc/28/01/96/289280196.db2.gz NQXWFPRZDSJJFI-OIISXLGYSA-N 2 1 264.457 3.133 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CCCCCC1 ZINC000371466660 289331676 /nfs/dbraw/zinc/33/16/76/289331676.db2.gz QXMNXYNLCDOCPI-FGTMMUONSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000556225624 289378362 /nfs/dbraw/zinc/37/83/62/289378362.db2.gz YONSPAMPCLHGSW-RSFISVRASA-N 2 1 252.446 3.129 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc2ccccc21 ZINC000423284914 290035266 /nfs/dbraw/zinc/03/52/66/290035266.db2.gz XMVWIPJWPDEAOE-YVEFUNNKSA-N 2 1 254.377 3.228 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCCCC1 ZINC000423258337 290035343 /nfs/dbraw/zinc/03/53/43/290035343.db2.gz BJAUSCWNSKVDAY-XJKSGUPXSA-N 2 1 252.446 3.452 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353601977 290214632 /nfs/dbraw/zinc/21/46/32/290214632.db2.gz CASRIWWJHDYUEK-JYJNAYRXSA-N 2 1 262.441 3.172 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000415066995 295264439 /nfs/dbraw/zinc/26/44/39/295264439.db2.gz OTCNEXXRKHNXFD-UPJWGTAASA-N 2 1 278.362 3.215 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3c(F)cccc32)CC[N@@H+]1C ZINC000245966866 297287599 /nfs/dbraw/zinc/28/75/99/297287599.db2.gz NLPPTFRIRYKGAN-WWGRRREGSA-N 2 1 292.398 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3c(F)cccc32)CC[N@H+]1C ZINC000245966866 297287601 /nfs/dbraw/zinc/28/76/01/297287601.db2.gz NLPPTFRIRYKGAN-WWGRRREGSA-N 2 1 292.398 3.112 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCCO2 ZINC000425944609 301212082 /nfs/dbraw/zinc/21/20/82/301212082.db2.gz NNPJRNDYCPJPIZ-RHSMWYFYSA-N 2 1 290.451 3.304 20 0 CGADMP COc1cc(Cl)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000563135893 321979408 /nfs/dbraw/zinc/97/94/08/321979408.db2.gz VVSOZBWYRBWEOS-BDAKNGLRSA-N 2 1 291.222 3.217 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000563822819 322011974 /nfs/dbraw/zinc/01/19/74/322011974.db2.gz ITXPPMWIOJYBRL-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000563822819 322011978 /nfs/dbraw/zinc/01/19/78/322011978.db2.gz ITXPPMWIOJYBRL-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000563822818 322012142 /nfs/dbraw/zinc/01/21/42/322012142.db2.gz ITXPPMWIOJYBRL-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000563822818 322012144 /nfs/dbraw/zinc/01/21/44/322012144.db2.gz ITXPPMWIOJYBRL-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@H]1c1ccccc1 ZINC000566037139 322101416 /nfs/dbraw/zinc/10/14/16/322101416.db2.gz LQLMLNXGRDELDT-MSOLQXFVSA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000567201116 322154409 /nfs/dbraw/zinc/15/44/09/322154409.db2.gz KUSDBOPSQSAKDT-JZXOWHBKSA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000567201116 322154411 /nfs/dbraw/zinc/15/44/11/322154411.db2.gz KUSDBOPSQSAKDT-JZXOWHBKSA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000567201116 322154412 /nfs/dbraw/zinc/15/44/12/322154412.db2.gz KUSDBOPSQSAKDT-JZXOWHBKSA-N 2 1 274.452 3.452 20 0 CGADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000567201116 322154414 /nfs/dbraw/zinc/15/44/14/322154414.db2.gz KUSDBOPSQSAKDT-JZXOWHBKSA-N 2 1 274.452 3.452 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000567363411 322160539 /nfs/dbraw/zinc/16/05/39/322160539.db2.gz DZJOKSKDFDHLSG-OAHLLOKOSA-N 2 1 271.408 3.354 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000567363411 322160541 /nfs/dbraw/zinc/16/05/41/322160541.db2.gz DZJOKSKDFDHLSG-OAHLLOKOSA-N 2 1 271.408 3.354 20 0 CGADMP Cc1ccc2ccnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000567749994 322175842 /nfs/dbraw/zinc/17/58/42/322175842.db2.gz CZBYILLBXFOUCI-FUHWJXTLSA-N 2 1 295.430 3.464 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000568566979 322214038 /nfs/dbraw/zinc/21/40/38/322214038.db2.gz ZLIZCIMTMLXLSG-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000568566979 322214041 /nfs/dbraw/zinc/21/40/41/322214041.db2.gz ZLIZCIMTMLXLSG-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1Cl ZINC000568566979 322214042 /nfs/dbraw/zinc/21/40/42/322214042.db2.gz ZLIZCIMTMLXLSG-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1Cl ZINC000568566979 322214045 /nfs/dbraw/zinc/21/40/45/322214045.db2.gz ZLIZCIMTMLXLSG-BBRMVZONSA-N 2 1 280.843 3.420 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)C1CCCC1 ZINC000569349956 322244616 /nfs/dbraw/zinc/24/46/16/322244616.db2.gz HGSDGUPHJRCHMG-JKSUJKDBSA-N 2 1 278.827 3.434 20 0 CGADMP CC[C@H](F)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000569514286 322249250 /nfs/dbraw/zinc/24/92/50/322249250.db2.gz ZEFCOZUGKDJFKI-KSZLIROESA-N 2 1 290.426 3.188 20 0 CGADMP CC[C@H](F)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569514286 322249252 /nfs/dbraw/zinc/24/92/52/322249252.db2.gz ZEFCOZUGKDJFKI-KSZLIROESA-N 2 1 290.426 3.188 20 0 CGADMP CC[C@H](F)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569514286 322249253 /nfs/dbraw/zinc/24/92/53/322249253.db2.gz ZEFCOZUGKDJFKI-KSZLIROESA-N 2 1 290.426 3.188 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C/C(C)=C\c1ccccc1 ZINC000569968709 322261803 /nfs/dbraw/zinc/26/18/03/322261803.db2.gz LEOFQYYICJJNTE-PEZBUJJGSA-N 2 1 260.425 3.364 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1ccnc2ccccc12 ZINC000570318550 322270709 /nfs/dbraw/zinc/27/07/09/322270709.db2.gz IOIZTTSERAMZPG-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnc2ccccc12 ZINC000570318550 322270710 /nfs/dbraw/zinc/27/07/10/322270710.db2.gz IOIZTTSERAMZPG-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnc2ccccc12 ZINC000570318550 322270712 /nfs/dbraw/zinc/27/07/12/322270712.db2.gz IOIZTTSERAMZPG-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP C(C[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000570403189 322272843 /nfs/dbraw/zinc/27/28/43/322272843.db2.gz OZPYUQHGRMKGRP-SJORKVTESA-N 2 1 264.457 3.421 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000570953585 322286145 /nfs/dbraw/zinc/28/61/45/322286145.db2.gz PURGRAHIFKQDHL-INIZCTEOSA-N 2 1 264.413 3.409 20 0 CGADMP Cc1cc(Br)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000570965482 322286495 /nfs/dbraw/zinc/28/64/95/322286495.db2.gz ITLPNKRRAADXIO-YUMQZZPRSA-N 2 1 291.258 3.034 20 0 CGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccsc2)CC1 ZINC000573133036 322372206 /nfs/dbraw/zinc/37/22/06/322372206.db2.gz QVNFQTCYNFAPAE-UHFFFAOYSA-N 2 1 289.448 3.294 20 0 CGADMP CC[C@H](O)C[NH2+]CC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000573558751 322394273 /nfs/dbraw/zinc/39/42/73/322394273.db2.gz ZMNBYKBPAWTBTK-RDJZCZTQSA-N 2 1 292.467 3.257 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000573860089 322410934 /nfs/dbraw/zinc/41/09/34/322410934.db2.gz MACAOESGWQIIIR-SFHVURJKSA-N 2 1 283.419 3.402 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC000583370198 327328344 /nfs/dbraw/zinc/32/83/44/327328344.db2.gz WZOCUJAJITZFNU-KRWDZBQOSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cscn1 ZINC000578879239 327353029 /nfs/dbraw/zinc/35/30/29/327353029.db2.gz AJARKLGUUAQIMS-GXTWGEPZSA-N 2 1 275.421 3.274 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000394029952 329095274 /nfs/dbraw/zinc/09/52/74/329095274.db2.gz DZZGTISRCRNIPB-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1csc(Cl)c1 ZINC000191276585 330132358 /nfs/dbraw/zinc/13/23/58/330132358.db2.gz HTQFQKMYTDXKRY-GHMZBOCLSA-N 2 1 272.845 3.394 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000191276585 330132360 /nfs/dbraw/zinc/13/23/60/330132360.db2.gz HTQFQKMYTDXKRY-GHMZBOCLSA-N 2 1 272.845 3.394 20 0 CGADMP CCCn1ccnc1CCC[N@@H+](C)CCc1ccccc1 ZINC000191502065 330144082 /nfs/dbraw/zinc/14/40/82/330144082.db2.gz WKFSRQLFBUNHKF-UHFFFAOYSA-N 2 1 285.435 3.400 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1ccccc1 ZINC000191502065 330144083 /nfs/dbraw/zinc/14/40/83/330144083.db2.gz WKFSRQLFBUNHKF-UHFFFAOYSA-N 2 1 285.435 3.400 20 0 CGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1ccccc1 ZINC000191502065 330144084 /nfs/dbraw/zinc/14/40/84/330144084.db2.gz WKFSRQLFBUNHKF-UHFFFAOYSA-N 2 1 285.435 3.400 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000580493512 330349333 /nfs/dbraw/zinc/34/93/33/330349333.db2.gz LERNRZONSRFZJS-BSDSXHPESA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000580493512 330349334 /nfs/dbraw/zinc/34/93/34/330349334.db2.gz LERNRZONSRFZJS-BSDSXHPESA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@H](C)C1 ZINC000174629285 335160945 /nfs/dbraw/zinc/16/09/45/335160945.db2.gz YVELIDDCKMSGIF-CJNGLKHVSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000576830417 335253329 /nfs/dbraw/zinc/25/33/29/335253329.db2.gz VCVKXPHJYIEPDZ-INIZCTEOSA-N 2 1 260.425 3.071 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000576985079 335273716 /nfs/dbraw/zinc/27/37/16/335273716.db2.gz UAKAYKYZCWKCQZ-HZMVEIRTSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000576985079 335273718 /nfs/dbraw/zinc/27/37/18/335273718.db2.gz UAKAYKYZCWKCQZ-HZMVEIRTSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000576985079 335273719 /nfs/dbraw/zinc/27/37/19/335273719.db2.gz UAKAYKYZCWKCQZ-HZMVEIRTSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000576985079 335273721 /nfs/dbraw/zinc/27/37/21/335273721.db2.gz UAKAYKYZCWKCQZ-HZMVEIRTSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000576985079 335273722 /nfs/dbraw/zinc/27/37/22/335273722.db2.gz UAKAYKYZCWKCQZ-HZMVEIRTSA-N 2 1 264.457 3.251 20 0 CGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000578903468 335687990 /nfs/dbraw/zinc/68/79/90/335687990.db2.gz JIHFPYSLZJRHHC-UHFFFAOYSA-N 2 1 283.419 3.412 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncc(C(C)C)s1 ZINC000183732129 335904368 /nfs/dbraw/zinc/90/43/68/335904368.db2.gz ODBHJLRDGTVGFX-GFCCVEGCSA-N 2 1 292.452 3.197 20 0 CGADMP CCc1nc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cs1 ZINC000184740855 335932423 /nfs/dbraw/zinc/93/24/23/335932423.db2.gz OWNNNIYIKQIYNR-LBPRGKRZSA-N 2 1 292.452 3.341 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000381536059 336067613 /nfs/dbraw/zinc/06/76/13/336067613.db2.gz QQFVXCIADWVMEX-GIOUXUJVSA-N 2 1 264.457 3.275 20 0 CGADMP Clc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000381861517 336074759 /nfs/dbraw/zinc/07/47/59/336074759.db2.gz MISKGNPOUDELAE-BETUJISGSA-N 2 1 299.245 3.425 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC2CCC1CC2 ZINC000381951813 336078916 /nfs/dbraw/zinc/07/89/16/336078916.db2.gz SHNFTKYDOFQDRC-HKLFFYFNSA-N 2 1 276.468 3.418 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC2CCC1CC2 ZINC000381951814 336078992 /nfs/dbraw/zinc/07/89/92/336078992.db2.gz SHNFTKYDOFQDRC-RMYJWEKJSA-N 2 1 276.468 3.418 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000581496456 336089947 /nfs/dbraw/zinc/08/99/47/336089947.db2.gz IGMORPJVYJXRFX-SFHVURJKSA-N 2 1 297.446 3.307 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000581496456 336089948 /nfs/dbraw/zinc/08/99/48/336089948.db2.gz IGMORPJVYJXRFX-SFHVURJKSA-N 2 1 297.446 3.307 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCC3)CC23CC3)cc1 ZINC000581823729 336147694 /nfs/dbraw/zinc/14/76/94/336147694.db2.gz AADBIQZOHPESDK-QGZVFWFLSA-N 2 1 270.420 3.326 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCC3)CC23CC3)cc1 ZINC000581823729 336147696 /nfs/dbraw/zinc/14/76/96/336147696.db2.gz AADBIQZOHPESDK-QGZVFWFLSA-N 2 1 270.420 3.326 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385685646 336154430 /nfs/dbraw/zinc/15/44/30/336154430.db2.gz NVYILWUGVDWTDW-WLYUNCDWSA-N 2 1 272.502 3.228 20 0 CGADMP CSCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000385851113 336157989 /nfs/dbraw/zinc/15/79/89/336157989.db2.gz PXEVUSFROQOMOO-CKUJCDMFSA-N 2 1 282.497 3.125 20 0 CGADMP CSCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000385871320 336158223 /nfs/dbraw/zinc/15/82/23/336158223.db2.gz UXMUXGGJNRGOBK-SVFSVNPNSA-N 2 1 282.497 3.123 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427103674 533770681 /nfs/dbraw/zinc/77/06/81/533770681.db2.gz WOAOTBQPGXHBQL-XJKSGUPXSA-N 2 1 278.827 3.141 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427103674 533770689 /nfs/dbraw/zinc/77/06/89/533770689.db2.gz WOAOTBQPGXHBQL-XJKSGUPXSA-N 2 1 278.827 3.141 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cn[nH]c1 ZINC000358346840 533813402 /nfs/dbraw/zinc/81/34/02/533813402.db2.gz AXVFAJHINWABNS-KEYYUXOJSA-N 2 1 290.455 3.103 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@H]2CCC[NH2+]CC2)C1 ZINC000358339283 533834747 /nfs/dbraw/zinc/83/47/47/533834747.db2.gz XSNOVKVRZZZCKF-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000358065810 533895650 /nfs/dbraw/zinc/89/56/50/533895650.db2.gz SPNPSNJZUWAUSI-BBRMVZONSA-N 2 1 296.455 3.238 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436305546 533898611 /nfs/dbraw/zinc/89/86/11/533898611.db2.gz NKVFEFCLXAPEDL-WGGXSYPISA-N 2 1 294.389 3.141 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436305546 533898616 /nfs/dbraw/zinc/89/86/16/533898616.db2.gz NKVFEFCLXAPEDL-WGGXSYPISA-N 2 1 294.389 3.141 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359227225 534054462 /nfs/dbraw/zinc/05/44/62/534054462.db2.gz VVOFKHGKCRKIHT-LBPRGKRZSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449073297 534267293 /nfs/dbraw/zinc/26/72/93/534267293.db2.gz HVUIDTFNZOSWDH-GJZGRUSLSA-N 2 1 298.430 3.438 20 0 CGADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780340 518370849 /nfs/dbraw/zinc/37/08/49/518370849.db2.gz LUSTWXDCRZDBMN-AHKGRUIUSA-N 2 1 270.420 3.118 20 0 CGADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780340 518370853 /nfs/dbraw/zinc/37/08/53/518370853.db2.gz LUSTWXDCRZDBMN-AHKGRUIUSA-N 2 1 270.420 3.118 20 0 CGADMP CC(C)C[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000339413422 519346730 /nfs/dbraw/zinc/34/67/30/519346730.db2.gz NBGFLQLPWQPQKN-DOTOQJQBSA-N 2 1 260.425 3.097 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(Cl)c2)CC1 ZINC000086583979 519847082 /nfs/dbraw/zinc/84/70/82/519847082.db2.gz VRNHOEANTOAPJU-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000102423165 521710487 /nfs/dbraw/zinc/71/04/87/521710487.db2.gz RENAGIWBAAFIOH-JMPLCFMRSA-N 2 1 258.409 3.021 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000037643729 521717120 /nfs/dbraw/zinc/71/71/20/521717120.db2.gz BIQYFQNGJGSQCD-OAHLLOKOSA-N 2 1 268.404 3.271 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC000053012125 522054763 /nfs/dbraw/zinc/05/47/63/522054763.db2.gz WIERKYOCBOVDMT-NSHDSACASA-N 2 1 287.234 3.077 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC000053012125 522054773 /nfs/dbraw/zinc/05/47/73/522054773.db2.gz WIERKYOCBOVDMT-NSHDSACASA-N 2 1 287.234 3.077 20 0 CGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414844224 534643632 /nfs/dbraw/zinc/64/36/32/534643632.db2.gz KPEISWDQRNYWKK-LLVKDONJSA-N 2 1 287.234 3.268 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccccc1Cl ZINC000337277864 522748085 /nfs/dbraw/zinc/74/80/85/522748085.db2.gz SAGRWJZTZSQUQY-UHFFFAOYSA-N 2 1 296.842 3.137 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccccc1Cl ZINC000337277864 522748094 /nfs/dbraw/zinc/74/80/94/522748094.db2.gz SAGRWJZTZSQUQY-UHFFFAOYSA-N 2 1 296.842 3.137 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CCCCC1 ZINC000423262356 534678180 /nfs/dbraw/zinc/67/81/80/534678180.db2.gz MDRLQZDDKWKDMH-QZTJIDSGSA-N 2 1 288.435 3.267 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1F ZINC000449169354 534718086 /nfs/dbraw/zinc/71/80/86/534718086.db2.gz GPNWWOCLSWDZBL-GJZGRUSLSA-N 2 1 264.388 3.097 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000449164223 534768437 /nfs/dbraw/zinc/76/84/37/534768437.db2.gz OWCFBDGZIIZZJI-IJEWVQPXSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000193138206 534769932 /nfs/dbraw/zinc/76/99/32/534769932.db2.gz FZJVCXFFMCSMTO-ZFWWWQNUSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000061362758 525362477 /nfs/dbraw/zinc/36/24/77/525362477.db2.gz NBRDVRRGTFNMNV-JSGCOSHPSA-N 2 1 252.427 3.273 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000061362758 525362482 /nfs/dbraw/zinc/36/24/82/525362482.db2.gz NBRDVRRGTFNMNV-JSGCOSHPSA-N 2 1 252.427 3.273 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000061362761 525457663 /nfs/dbraw/zinc/45/76/63/525457663.db2.gz NBRDVRRGTFNMNV-TZMCWYRMSA-N 2 1 252.427 3.273 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000061362761 525457670 /nfs/dbraw/zinc/45/76/70/525457670.db2.gz NBRDVRRGTFNMNV-TZMCWYRMSA-N 2 1 252.427 3.273 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110344 525617974 /nfs/dbraw/zinc/61/79/74/525617974.db2.gz FBKLEVMJVBQPQD-DEYYWGMASA-N 2 1 272.436 3.309 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110344 525617980 /nfs/dbraw/zinc/61/79/80/525617980.db2.gz FBKLEVMJVBQPQD-DEYYWGMASA-N 2 1 272.436 3.309 20 0 CGADMP C[C@@]1(C[N@H+](Cc2ccc(F)cc2)CC2CC2)CC[NH2+]C1 ZINC000262055203 525828449 /nfs/dbraw/zinc/82/84/49/525828449.db2.gz QNNBFEIORLDPAH-QGZVFWFLSA-N 2 1 276.399 3.037 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000184272347 526209453 /nfs/dbraw/zinc/20/94/53/526209453.db2.gz UVSYULZQYQXBMA-OAHLLOKOSA-N 2 1 275.440 3.161 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOC(C)C)cc1 ZINC000183672016 527377555 /nfs/dbraw/zinc/37/75/55/527377555.db2.gz XAJHLVFDAYJXGF-CQSZACIVSA-N 2 1 287.407 3.256 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C)c2)C[C@@H]1C ZINC000449026077 527755805 /nfs/dbraw/zinc/75/58/05/527755805.db2.gz DXJHMKDBLOGUGY-SWLSCSKDSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C)c2)C[C@@H]1C ZINC000449026077 527755813 /nfs/dbraw/zinc/75/58/13/527755813.db2.gz DXJHMKDBLOGUGY-SWLSCSKDSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C)c2)C[C@@H]1C ZINC000449026077 527755818 /nfs/dbraw/zinc/75/58/18/527755818.db2.gz DXJHMKDBLOGUGY-SWLSCSKDSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C)c2)C[C@@H]1C ZINC000449026077 527755823 /nfs/dbraw/zinc/75/58/23/527755823.db2.gz DXJHMKDBLOGUGY-SWLSCSKDSA-N 2 1 266.454 3.361 20 0 CGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423282936 527782237 /nfs/dbraw/zinc/78/22/37/527782237.db2.gz VLUPQXYTRWSZNI-KDOFPFPSSA-N 2 1 290.451 3.499 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccoc2C)c1 ZINC000414321944 527846301 /nfs/dbraw/zinc/84/63/01/527846301.db2.gz DUCDCRONCZJLFA-UHFFFAOYSA-N 2 1 272.392 3.330 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cncs2)c1 ZINC000123925342 527847089 /nfs/dbraw/zinc/84/70/89/527847089.db2.gz JFQUGXIWGRIAFQ-ZDUSSCGKSA-N 2 1 289.448 3.446 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000174961685 527848028 /nfs/dbraw/zinc/84/80/28/527848028.db2.gz SKKUDXCBBLHCFC-MRXNPFEDSA-N 2 1 292.492 3.442 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCSc2ccccc2)C1 ZINC000174961685 527848034 /nfs/dbraw/zinc/84/80/34/527848034.db2.gz SKKUDXCBBLHCFC-MRXNPFEDSA-N 2 1 292.492 3.442 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000174961685 527848040 /nfs/dbraw/zinc/84/80/40/527848040.db2.gz SKKUDXCBBLHCFC-MRXNPFEDSA-N 2 1 292.492 3.442 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000174961685 527848041 /nfs/dbraw/zinc/84/80/41/527848041.db2.gz SKKUDXCBBLHCFC-MRXNPFEDSA-N 2 1 292.492 3.442 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(C)c2)C1 ZINC000174962771 527849920 /nfs/dbraw/zinc/84/99/20/527849920.db2.gz IHMITFCDMVZJST-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(C)c2)C1 ZINC000174962771 527849922 /nfs/dbraw/zinc/84/99/22/527849922.db2.gz IHMITFCDMVZJST-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(C)c2)C1 ZINC000174962771 527849926 /nfs/dbraw/zinc/84/99/26/527849926.db2.gz IHMITFCDMVZJST-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000174962771 527849928 /nfs/dbraw/zinc/84/99/28/527849928.db2.gz IHMITFCDMVZJST-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CC1=CCC[NH+](CCCCC[N@@H+]2CCC=C(C)C2)C1 ZINC000436267305 528103269 /nfs/dbraw/zinc/10/32/69/528103269.db2.gz QAINNMQRYXVZHZ-UHFFFAOYSA-N 2 1 262.441 3.461 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436272868 528112630 /nfs/dbraw/zinc/11/26/30/528112630.db2.gz ISIOLEIREUHFNW-UHFFFAOYSA-N 2 1 277.387 3.129 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cccc(C)c2)C1 ZINC000174222763 528183968 /nfs/dbraw/zinc/18/39/68/528183968.db2.gz JFHJDMAEPWGLJV-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000174222763 528183971 /nfs/dbraw/zinc/18/39/71/528183971.db2.gz JFHJDMAEPWGLJV-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436277509 528204164 /nfs/dbraw/zinc/20/41/64/528204164.db2.gz YHLUTPZUSDIBPL-UHFFFAOYSA-N 2 1 289.398 3.271 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](F)CC)CC1 ZINC000440694015 528338140 /nfs/dbraw/zinc/33/81/40/528338140.db2.gz PVNSRSMIRLPULR-HNNXBMFYSA-N 2 1 258.425 3.178 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H](C)c1cccc(OC)c1 ZINC000359211853 528431113 /nfs/dbraw/zinc/43/11/13/528431113.db2.gz MVZXNPSOYQWAMO-HNNXBMFYSA-N 2 1 290.451 3.468 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423263974 528518177 /nfs/dbraw/zinc/51/81/77/528518177.db2.gz PGHGLIGKYKNLOK-WCQYABFASA-N 2 1 286.366 3.312 20 0 CGADMP CCCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000364312536 528637226 /nfs/dbraw/zinc/63/72/26/528637226.db2.gz GBDLSHBRHPPWSW-ROUUACIJSA-N 2 1 272.436 3.356 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCc2ccccc2CC1 ZINC000423303794 528953004 /nfs/dbraw/zinc/95/30/04/528953004.db2.gz XMWJIXBOCRLYEM-QGZVFWFLSA-N 2 1 260.425 3.041 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423296834 528955188 /nfs/dbraw/zinc/95/51/88/528955188.db2.gz HQJYTWYEHUKYBX-RHSMWYFYSA-N 2 1 276.424 3.180 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000423295016 528956628 /nfs/dbraw/zinc/95/66/28/528956628.db2.gz DFBLABKYMAIYGU-ZIAGYGMSSA-N 2 1 294.439 3.180 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1cccc(F)c1 ZINC000423298906 528958746 /nfs/dbraw/zinc/95/87/46/528958746.db2.gz PEXRKJNXBMKWOD-HUUCEWRRSA-N 2 1 252.377 3.384 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449065378 528987147 /nfs/dbraw/zinc/98/71/47/528987147.db2.gz UCJZYEVNHMANIS-AWEZNQCLSA-N 2 1 286.419 3.438 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449105460 529051348 /nfs/dbraw/zinc/05/13/48/529051348.db2.gz IAJVRBXNCGKCSQ-KGLIPLIRSA-N 2 1 296.405 3.390 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423259915 529068807 /nfs/dbraw/zinc/06/88/07/529068807.db2.gz GBJOUYVFRBTPPK-DTWKUNHWSA-N 2 1 291.258 3.145 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423271834 529070387 /nfs/dbraw/zinc/07/03/87/529070387.db2.gz JLEAXNXGZZZLRT-HUUCEWRRSA-N 2 1 266.816 3.290 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423312885 529173143 /nfs/dbraw/zinc/17/31/43/529173143.db2.gz DYMZQYQYXGKOJL-ZIAGYGMSSA-N 2 1 252.789 3.118 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423366080 529200013 /nfs/dbraw/zinc/20/00/13/529200013.db2.gz LFUBJFKEUPCCPF-QPUJVOFHSA-N 2 1 261.196 3.381 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OC)cc1 ZINC000423529206 529206524 /nfs/dbraw/zinc/20/65/24/529206524.db2.gz OEEPYBYURZUJFI-IAGOWNOFSA-N 2 1 276.424 3.253 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000191572845 535503458 /nfs/dbraw/zinc/50/34/58/535503458.db2.gz AVOYZUPQHZEYKL-CQSZACIVSA-N 2 1 264.413 3.117 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000191572845 535503467 /nfs/dbraw/zinc/50/34/67/535503467.db2.gz AVOYZUPQHZEYKL-CQSZACIVSA-N 2 1 264.413 3.117 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000514111939 535510088 /nfs/dbraw/zinc/51/00/88/535510088.db2.gz VBQJJMGRILKNIX-MRXNPFEDSA-N 2 1 278.415 3.347 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000481032300 535802913 /nfs/dbraw/zinc/80/29/13/535802913.db2.gz DDWJLTHRLKXBTA-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000481032300 535802914 /nfs/dbraw/zinc/80/29/14/535802914.db2.gz DDWJLTHRLKXBTA-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccccc2F)s1 ZINC000516181791 536343003 /nfs/dbraw/zinc/34/30/03/536343003.db2.gz WOKHBJHVUFTMKD-UHFFFAOYSA-N 2 1 278.396 3.335 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000459726983 536384116 /nfs/dbraw/zinc/38/41/16/536384116.db2.gz GVNJMHDSLOGJEL-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000459780895 536384598 /nfs/dbraw/zinc/38/45/98/536384598.db2.gz LTQLWWFSTFGIQP-FWWGQDLDSA-N 2 1 294.389 3.300 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000480760785 536798320 /nfs/dbraw/zinc/79/83/20/536798320.db2.gz IFIFSMZDJQREGS-QGZVFWFLSA-N 2 1 292.467 3.231 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000727464265 571746905 /nfs/dbraw/zinc/74/69/05/571746905.db2.gz NIVBEOAWZDHVSR-UHFFFAOYSA-N 2 1 297.446 3.446 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000390836036 572360295 /nfs/dbraw/zinc/36/02/95/572360295.db2.gz JFUQXCNBIIABJX-HZTRTUMWSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCc2ccccc21 ZINC000738311703 572371741 /nfs/dbraw/zinc/37/17/41/572371741.db2.gz JCCVLYHNEBVGSO-GOSISDBHSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000166132003 572459737 /nfs/dbraw/zinc/45/97/37/572459737.db2.gz PVXCCYWYKCCJLP-HNAYVOBHSA-N 2 1 284.447 3.446 20 0 CGADMP Clc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166383000 572460433 /nfs/dbraw/zinc/46/04/33/572460433.db2.gz FUTTZHYREVBKNA-HUUCEWRRSA-N 2 1 278.827 3.099 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccs2)C[C@H]1C ZINC000740885043 572466870 /nfs/dbraw/zinc/46/68/70/572466870.db2.gz YKDRNPVQXNSJKK-KGLIPLIRSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccs2)C[C@H]1C ZINC000740885043 572466873 /nfs/dbraw/zinc/46/68/73/572466873.db2.gz YKDRNPVQXNSJKK-KGLIPLIRSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccs2)C[C@H]1C ZINC000740885043 572466874 /nfs/dbraw/zinc/46/68/74/572466874.db2.gz YKDRNPVQXNSJKK-KGLIPLIRSA-N 2 1 266.454 3.095 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000166452505 572855888 /nfs/dbraw/zinc/85/58/88/572855888.db2.gz APRSDBKNOSVPLB-UKRRQHHQSA-N 2 1 293.480 3.025 20 0 CGADMP [NH3+]C[C@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000050247574 618083030 /nfs/dbraw/zinc/08/30/30/618083030.db2.gz ANNIIIGDJIDSKU-SNVBAGLBSA-N 2 1 280.824 3.335 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000050247574 618083036 /nfs/dbraw/zinc/08/30/36/618083036.db2.gz ANNIIIGDJIDSKU-SNVBAGLBSA-N 2 1 280.824 3.335 20 0 CGADMP CSCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000892105755 618535648 /nfs/dbraw/zinc/53/56/48/618535648.db2.gz QHNSSPDSFUPQFK-YOEHRIQHSA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000892105755 618535657 /nfs/dbraw/zinc/53/56/57/618535657.db2.gz QHNSSPDSFUPQFK-YOEHRIQHSA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000892105755 618535665 /nfs/dbraw/zinc/53/56/65/618535665.db2.gz QHNSSPDSFUPQFK-YOEHRIQHSA-N 2 1 292.492 3.464 20 0 CGADMP CSCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000892105755 618535671 /nfs/dbraw/zinc/53/56/71/618535671.db2.gz QHNSSPDSFUPQFK-YOEHRIQHSA-N 2 1 292.492 3.464 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119681748 618538754 /nfs/dbraw/zinc/53/87/54/618538754.db2.gz HXPUAOOVDNLHSA-LBPRGKRZSA-N 2 1 270.486 3.123 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926455945 618692025 /nfs/dbraw/zinc/69/20/25/618692025.db2.gz HRHISRZDEHHMKF-IKGGRYGDSA-N 2 1 284.488 3.028 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926455945 618692027 /nfs/dbraw/zinc/69/20/27/618692027.db2.gz HRHISRZDEHHMKF-IKGGRYGDSA-N 2 1 284.488 3.028 20 0 CGADMP COc1cccnc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926548904 618733459 /nfs/dbraw/zinc/73/34/59/618733459.db2.gz CYBDZAMQKQXAGK-AWEZNQCLSA-N 2 1 299.418 3.003 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926571958 618749010 /nfs/dbraw/zinc/74/90/10/618749010.db2.gz APVJCHQRPYSCHO-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP COCCCC1(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000892510760 618825323 /nfs/dbraw/zinc/82/53/23/618825323.db2.gz UCWKENGAONLINX-OAHLLOKOSA-N 2 1 293.455 3.014 20 0 CGADMP CCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716514 618836814 /nfs/dbraw/zinc/83/68/14/618836814.db2.gz TURDWMBBHKLMJG-YOEHRIQHSA-N 2 1 290.451 3.049 20 0 CGADMP CCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716514 618836816 /nfs/dbraw/zinc/83/68/16/618836816.db2.gz TURDWMBBHKLMJG-YOEHRIQHSA-N 2 1 290.451 3.049 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892947140 618960774 /nfs/dbraw/zinc/96/07/74/618960774.db2.gz WYCUUCJEKFIDCJ-LBPRGKRZSA-N 2 1 286.341 3.195 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892947140 618960776 /nfs/dbraw/zinc/96/07/76/618960776.db2.gz WYCUUCJEKFIDCJ-LBPRGKRZSA-N 2 1 286.341 3.195 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(Cl)c1 ZINC000019905887 618974157 /nfs/dbraw/zinc/97/41/57/618974157.db2.gz HRORAISWVNYYBQ-UHFFFAOYSA-N 2 1 254.805 3.017 20 0 CGADMP c1ccc(CC2([NH2+][C@@H]3CC[NH2+]C34CCC4)CCC2)cc1 ZINC000925593005 619077796 /nfs/dbraw/zinc/07/77/96/619077796.db2.gz CDBODYVSRVRJKL-MRXNPFEDSA-N 2 1 270.420 3.026 20 0 CGADMP C[C@@H]([NH3+])[C@H](NCC(C)(C)c1cccnc1)c1ccccc1 ZINC000925691838 619140699 /nfs/dbraw/zinc/14/06/99/619140699.db2.gz NERSFFNKRDIJCG-PBHICJAKSA-N 2 1 283.419 3.037 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000178510675 619236631 /nfs/dbraw/zinc/23/66/31/619236631.db2.gz RSJLHBKNKLRQMU-GJZGRUSLSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)s1 ZINC000925778527 619241284 /nfs/dbraw/zinc/24/12/84/619241284.db2.gz JUVJPUFGVFBQNL-DTWKUNHWSA-N 2 1 294.798 3.297 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925779176 619241365 /nfs/dbraw/zinc/24/13/65/619241365.db2.gz MFTCOKRRXYXDGW-DOMZBBRYSA-N 2 1 282.378 3.144 20 0 CGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000925779866 619242330 /nfs/dbraw/zinc/24/23/30/619242330.db2.gz PTCIWFVFVNFRJU-WCQYABFASA-N 2 1 298.402 3.058 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000925822343 619268499 /nfs/dbraw/zinc/26/84/99/619268499.db2.gz LUMOVFWHBKAYJH-HFTRVMKXSA-N 2 1 287.451 3.433 20 0 CGADMP C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261541950 619288455 /nfs/dbraw/zinc/28/84/55/619288455.db2.gz MXDXKQSPUJRIOW-JHJVBQTASA-N 2 1 252.427 3.129 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\c3cccc(F)c3)CC[C@@H]21 ZINC000894096937 619370419 /nfs/dbraw/zinc/37/04/19/619370419.db2.gz ZIXRNVHRJJJQKK-RGTXRHFESA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\c3cccc(F)c3)CC[C@@H]21 ZINC000894096937 619370423 /nfs/dbraw/zinc/37/04/23/619370423.db2.gz ZIXRNVHRJJJQKK-RGTXRHFESA-N 2 1 288.410 3.255 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\c3cccc(F)c3)CC[C@@H]21 ZINC000894096937 619370425 /nfs/dbraw/zinc/37/04/25/619370425.db2.gz ZIXRNVHRJJJQKK-RGTXRHFESA-N 2 1 288.410 3.255 20 0 CGADMP COCCCC1(C[N@@H+](C)CCC[NH+]2CCCC2)CCC1 ZINC000894230143 619432399 /nfs/dbraw/zinc/43/23/99/619432399.db2.gz AZPHEZNWYXRJJN-UHFFFAOYSA-N 2 1 282.472 3.001 20 0 CGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000894240985 619436943 /nfs/dbraw/zinc/43/69/43/619436943.db2.gz FILSMYPCPWRTEZ-INIZCTEOSA-N 2 1 297.446 3.445 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000894240985 619436944 /nfs/dbraw/zinc/43/69/44/619436944.db2.gz FILSMYPCPWRTEZ-INIZCTEOSA-N 2 1 297.446 3.445 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000924961894 619463384 /nfs/dbraw/zinc/46/33/84/619463384.db2.gz XDZJNHFPWGOVNE-IAGOWNOFSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1cccc(F)c1 ZINC000894781631 619633913 /nfs/dbraw/zinc/63/39/13/619633913.db2.gz GTWAOSQASIMUOF-ZPOXIUPMSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1cccc(F)c1 ZINC000894781631 619633923 /nfs/dbraw/zinc/63/39/23/619633923.db2.gz GTWAOSQASIMUOF-ZPOXIUPMSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C\c1cccc(F)c1 ZINC000894781631 619633931 /nfs/dbraw/zinc/63/39/31/619633931.db2.gz GTWAOSQASIMUOF-ZPOXIUPMSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC000894781631 619633934 /nfs/dbraw/zinc/63/39/34/619633934.db2.gz GTWAOSQASIMUOF-ZPOXIUPMSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[C@@H](C)C1 ZINC000894788100 619636680 /nfs/dbraw/zinc/63/66/80/619636680.db2.gz MEHQVQYIWBCHEE-BQRFXZSASA-N 2 1 264.457 3.416 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCc3sc(Cl)cc3C2)CC1 ZINC000895084939 619721063 /nfs/dbraw/zinc/72/10/63/619721063.db2.gz DGVYEUIRSYOLPG-UHFFFAOYSA-N 2 1 284.856 3.101 20 0 CGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC1CCSCC1 ZINC000895375976 619815641 /nfs/dbraw/zinc/81/56/41/619815641.db2.gz BEIGIYOHRXYGSP-GDBMZVCRSA-N 2 1 284.513 3.182 20 0 CGADMP Cc1nc(F)ccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683199 619871958 /nfs/dbraw/zinc/87/19/58/619871958.db2.gz IUVSNDKCNCEEFC-UHFFFAOYSA-N 2 1 293.430 3.227 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC000895754238 619881566 /nfs/dbraw/zinc/88/15/66/619881566.db2.gz NSDVKOIJVYDPNU-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)CC2)cc1 ZINC000897955004 620454970 /nfs/dbraw/zinc/45/49/70/620454970.db2.gz NTSFPOFHHJBIJP-QXAKKESOSA-N 2 1 284.447 3.429 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccnc2ccccc12 ZINC000898307491 620509880 /nfs/dbraw/zinc/50/98/80/620509880.db2.gz CNBSGVCAFPEVCT-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccnc2ccccc12 ZINC000898307491 620509883 /nfs/dbraw/zinc/50/98/83/620509883.db2.gz CNBSGVCAFPEVCT-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000924687778 620563196 /nfs/dbraw/zinc/56/31/96/620563196.db2.gz PQMWMDPYAGXGQU-HUUCEWRRSA-N 2 1 291.439 3.092 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC000924706861 620569578 /nfs/dbraw/zinc/56/95/78/620569578.db2.gz RFXUGVGVVMDTBM-HPUBIQBYSA-N 2 1 290.476 3.241 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924752010 620624692 /nfs/dbraw/zinc/62/46/92/620624692.db2.gz MPUNFBFGVLMMQW-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1csc(C2([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)CCC2)n1 ZINC000902352968 621285402 /nfs/dbraw/zinc/28/54/02/621285402.db2.gz WNNNWCKFGXXQLP-CYBMUJFWSA-N 2 1 293.480 3.199 20 0 CGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C1 ZINC000902361353 621290082 /nfs/dbraw/zinc/29/00/82/621290082.db2.gz MZMNSWJRUNAMNV-ZFWWWQNUSA-N 2 1 292.398 3.017 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902475306 621326277 /nfs/dbraw/zinc/32/62/77/621326277.db2.gz HWJUYVRAHPJMQQ-OADPDTJPSA-N 2 1 298.352 3.119 20 0 CGADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470984 621341503 /nfs/dbraw/zinc/34/15/03/621341503.db2.gz IIVABZXCWNUFNY-UTSKFRMZSA-N 2 1 270.420 3.051 20 0 CGADMP CC1(C)C(C)(C)C1(C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000902722135 621410692 /nfs/dbraw/zinc/41/06/92/621410692.db2.gz GSWSHSNBHQTYML-OLZOCXBDSA-N 2 1 250.430 3.028 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902727007 621414361 /nfs/dbraw/zinc/41/43/61/621414361.db2.gz WIOPCJXNTSKZEH-FUHWJXTLSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903123919 621589750 /nfs/dbraw/zinc/58/97/50/621589750.db2.gz CYMMKHFNSIXOAF-VHRNVKJDSA-N 2 1 264.457 3.414 20 0 CGADMP CC(C)(C[NH2+][C@@H](c1ccccn1)C1CC1)C[NH+]1CCCC1 ZINC000903161716 621607687 /nfs/dbraw/zinc/60/76/87/621607687.db2.gz VXUSTFHLSHTDAL-QGZVFWFLSA-N 2 1 287.451 3.244 20 0 CGADMP CC1(C)[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1(F)F ZINC000903203341 621626043 /nfs/dbraw/zinc/62/60/43/621626043.db2.gz KLCCQLYPTXJBSW-ZHDCTAKOSA-N 2 1 284.394 3.025 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[C@H]1C(C)(C)C)c1cccnc1 ZINC000903380131 621722691 /nfs/dbraw/zinc/72/26/91/621722691.db2.gz KPSNVOKCKSSAFH-IKGGRYGDSA-N 2 1 289.467 3.489 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431450 621744309 /nfs/dbraw/zinc/74/43/09/621744309.db2.gz OWIXINLEDUROPE-HIFRSBDPSA-N 2 1 266.816 3.289 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)c1cccc(OC)c1 ZINC000903431461 621744603 /nfs/dbraw/zinc/74/46/03/621744603.db2.gz VJJLKRXRQSQFLX-FMKPAKJESA-N 2 1 276.424 3.206 20 0 CGADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440097 621749271 /nfs/dbraw/zinc/74/92/71/621749271.db2.gz SPVGAHZGIHEMMX-SHFYGJNESA-N 2 1 276.399 3.131 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@@H]1[NH3+] ZINC000903450297 621760667 /nfs/dbraw/zinc/76/06/67/621760667.db2.gz SWJQYMLEMXUXHQ-DMRZNYOFSA-N 2 1 294.389 3.095 20 0 CGADMP Clc1ccc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469851 621762198 /nfs/dbraw/zinc/76/21/98/621762198.db2.gz YKYMHXGVMJEDMJ-HNNXBMFYSA-N 2 1 278.827 3.147 20 0 CGADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456712 621762228 /nfs/dbraw/zinc/76/22/28/621762228.db2.gz JMVPMYKHQXEISV-PWSUYJOCSA-N 2 1 270.779 3.038 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C3CCC3)CC2)C1 ZINC000903475935 621763812 /nfs/dbraw/zinc/76/38/12/621763812.db2.gz IELNGUSZBQUCIN-NUEKZKHPSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000903481947 621765212 /nfs/dbraw/zinc/76/52/12/621765212.db2.gz RLFCGGQQWIEIOE-JHNDHUHGSA-N 2 1 258.409 3.197 20 0 CGADMP Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)o2)cc1 ZINC000903498829 621765941 /nfs/dbraw/zinc/76/59/41/621765941.db2.gz FPKYYAOOXSOLNQ-GDBMZVCRSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482926 621766164 /nfs/dbraw/zinc/76/61/64/621766164.db2.gz YSGOHHOCIKMXMW-HYVNUMGLSA-N 2 1 258.409 3.125 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903565199 621767667 /nfs/dbraw/zinc/76/76/67/621767667.db2.gz FZYFDQFSEAFKSH-OAHLLOKOSA-N 2 1 295.496 3.307 20 0 CGADMP c1csc([C@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903718662 621796291 /nfs/dbraw/zinc/79/62/91/621796291.db2.gz QLNYECWKWLXNLF-ZIAGYGMSSA-N 2 1 264.438 3.275 20 0 CGADMP C([C@H]1CCCC[NH2+]C1)[N@@H+](C1CC1)C1CCCCC1 ZINC000903724291 621796692 /nfs/dbraw/zinc/79/66/92/621796692.db2.gz MULSAIKNEYWTFP-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734708 621800356 /nfs/dbraw/zinc/80/03/56/621800356.db2.gz VEOKGBWOMNNTNZ-IXDOHACOSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@](C)([NH2+]C[C@@H]1CCCC[NH2+]C1)c1nc(C)cs1 ZINC000903741414 621801549 /nfs/dbraw/zinc/80/15/49/621801549.db2.gz PSOFRFICVNIIHO-HIFRSBDPSA-N 2 1 281.469 3.056 20 0 CGADMP Clc1ccccc1C1([NH2+]C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903762990 621802969 /nfs/dbraw/zinc/80/29/69/621802969.db2.gz GLXJQLOIGPMCGL-ZDUSSCGKSA-N 2 1 278.827 3.308 20 0 CGADMP FC(F)(F)[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903785240 621808562 /nfs/dbraw/zinc/80/85/62/621808562.db2.gz WWJXAKHPDOZIBF-RDBSUJKOSA-N 2 1 290.373 3.041 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903897907 621828976 /nfs/dbraw/zinc/82/89/76/621828976.db2.gz KIOVLWMNSRLJGR-XEHBXRSQSA-N 2 1 284.447 3.395 20 0 CGADMP CCc1ccc(C(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F)cc1 ZINC000903902653 621830907 /nfs/dbraw/zinc/83/09/07/621830907.db2.gz LWCHMOJGPQKCAV-CYBMUJFWSA-N 2 1 270.367 3.056 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929396 621834042 /nfs/dbraw/zinc/83/40/42/621834042.db2.gz DKNIJWUHVPKCFH-CABCVRRESA-N 2 1 294.389 3.239 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929396 621834044 /nfs/dbraw/zinc/83/40/44/621834044.db2.gz DKNIJWUHVPKCFH-CABCVRRESA-N 2 1 294.389 3.239 20 0 CGADMP CC[C@@](C)([NH2+]C[C@H]([NH3+])CC(F)F)c1ccc(F)cc1 ZINC000903935448 621835419 /nfs/dbraw/zinc/83/54/19/621835419.db2.gz POPGMXSIUTXHNU-TZMCWYRMSA-N 2 1 274.330 3.023 20 0 CGADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC000903937491 621835593 /nfs/dbraw/zinc/83/55/93/621835593.db2.gz MCAVKVZAEHKPQA-YTTRVJOFSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)C1 ZINC000904309369 621903240 /nfs/dbraw/zinc/90/32/40/621903240.db2.gz IYBQIQQMHLOPAM-JOQOYGCGSA-N 2 1 270.420 3.266 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904325367 621907362 /nfs/dbraw/zinc/90/73/62/621907362.db2.gz XPBFDGHAPANKKK-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000904406542 621918296 /nfs/dbraw/zinc/91/82/96/621918296.db2.gz GOPLVCVCJYNADE-NJAFHUGGSA-N 2 1 272.436 3.168 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3cnco3)cc2)CC1 ZINC000906525176 622243504 /nfs/dbraw/zinc/24/35/04/622243504.db2.gz KKGXJGZHCLIGQG-UHFFFAOYSA-N 2 1 299.418 3.306 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000230730583 623267207 /nfs/dbraw/zinc/26/72/07/623267207.db2.gz OGWSXJQFFQMPQG-GOSISDBHSA-N 2 1 292.467 3.082 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000230730583 623267209 /nfs/dbraw/zinc/26/72/09/623267209.db2.gz OGWSXJQFFQMPQG-GOSISDBHSA-N 2 1 292.467 3.082 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862366 623271690 /nfs/dbraw/zinc/27/16/90/623271690.db2.gz CXOKJNNRDAHMDU-OAHLLOKOSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862366 623271699 /nfs/dbraw/zinc/27/16/99/623271699.db2.gz CXOKJNNRDAHMDU-OAHLLOKOSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921496372 624597783 /nfs/dbraw/zinc/59/77/83/624597783.db2.gz SWGVPNUGDRBHMI-VSZNYVQBSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)cnc1Cl ZINC000921774258 625871841 /nfs/dbraw/zinc/87/18/41/625871841.db2.gz CBQRPQVIFJAYBB-UHFFFAOYSA-N 2 1 292.814 3.118 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C1CC1)C1CC1 ZINC000923310293 626145649 /nfs/dbraw/zinc/14/56/49/626145649.db2.gz DQRNTOZGTHEQCL-SFESLNEESA-N 2 1 262.441 3.028 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923415920 626150912 /nfs/dbraw/zinc/15/09/12/626150912.db2.gz XMZWIDHCNSFEMN-HOTGVXAUSA-N 2 1 262.441 3.031 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923415920 626150915 /nfs/dbraw/zinc/15/09/15/626150915.db2.gz XMZWIDHCNSFEMN-HOTGVXAUSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1C[NH3+] ZINC000923493548 626158720 /nfs/dbraw/zinc/15/87/20/626158720.db2.gz IJZNQOKBCUNDOZ-RISCZKNCSA-N 2 1 268.351 3.041 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000839181999 626326151 /nfs/dbraw/zinc/32/61/51/626326151.db2.gz LAMWSNPNRRQNIO-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000754977214 626595218 /nfs/dbraw/zinc/59/52/18/626595218.db2.gz NMLKNOMEEADDFU-HNNXBMFYSA-N 2 1 260.425 3.338 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000754977214 626595220 /nfs/dbraw/zinc/59/52/20/626595220.db2.gz NMLKNOMEEADDFU-HNNXBMFYSA-N 2 1 260.425 3.338 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nc(C)sc32)[C@H](C)C1 ZINC000766258735 627307788 /nfs/dbraw/zinc/30/77/88/627307788.db2.gz PWCGFPNVTPWZNC-OSAQELSMSA-N 2 1 293.480 3.149 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nc(C)sc32)[C@H](C)C1 ZINC000766258735 627307795 /nfs/dbraw/zinc/30/77/95/627307795.db2.gz PWCGFPNVTPWZNC-OSAQELSMSA-N 2 1 293.480 3.149 20 0 CGADMP FC(F)C1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000768670656 627491683 /nfs/dbraw/zinc/49/16/83/627491683.db2.gz XLKIBWUESPATKP-UHFFFAOYSA-N 2 1 294.389 3.284 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+][C@H]2CCCSC2)C1 ZINC000769011179 627516744 /nfs/dbraw/zinc/51/67/44/627516744.db2.gz CFJUKTFACZVGPG-KFWWJZLASA-N 2 1 284.513 3.228 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC3)C[C@H]1C ZINC000769470282 627557573 /nfs/dbraw/zinc/55/75/73/627557573.db2.gz KIFAUXATVVMEFV-KDOFPFPSSA-N 2 1 288.435 3.021 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC3)C[C@H]1C ZINC000769470282 627557574 /nfs/dbraw/zinc/55/75/74/627557574.db2.gz KIFAUXATVVMEFV-KDOFPFPSSA-N 2 1 288.435 3.021 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)COC3)C[C@H]1C ZINC000769470282 627557575 /nfs/dbraw/zinc/55/75/75/627557575.db2.gz KIFAUXATVVMEFV-KDOFPFPSSA-N 2 1 288.435 3.021 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)COC3)C[C@H]1C ZINC000769470282 627557576 /nfs/dbraw/zinc/55/75/76/627557576.db2.gz KIFAUXATVVMEFV-KDOFPFPSSA-N 2 1 288.435 3.021 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000782184409 628621773 /nfs/dbraw/zinc/62/17/73/628621773.db2.gz RWCQVSZYJSNZGO-CYBMUJFWSA-N 2 1 295.496 3.349 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000783220809 628688946 /nfs/dbraw/zinc/68/89/46/628688946.db2.gz BNZYBPBVFJIPDW-PBHICJAKSA-N 2 1 260.425 3.415 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CCCSC1)[NH+]1CCC(C)CC1 ZINC000783540539 628723242 /nfs/dbraw/zinc/72/32/42/628723242.db2.gz ZCJVGLBMSXIHPF-HOTGVXAUSA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000790047625 629179815 /nfs/dbraw/zinc/17/98/15/629179815.db2.gz AGZLGEHPNANXJI-RYRKJORJSA-N 2 1 286.463 3.426 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000790047625 629179818 /nfs/dbraw/zinc/17/98/18/629179818.db2.gz AGZLGEHPNANXJI-RYRKJORJSA-N 2 1 286.463 3.426 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865419783 630113488 /nfs/dbraw/zinc/11/34/88/630113488.db2.gz XBAPCICURCBKAQ-UHFFFAOYSA-N 2 1 298.365 3.059 20 0 CGADMP CC(C)(C)SCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000801913417 630364848 /nfs/dbraw/zinc/36/48/48/630364848.db2.gz VAFCMZZBBVLYNI-UHFFFAOYSA-N 2 1 284.513 3.468 20 0 CGADMP CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]C1CC[NH+](C)CC1 ZINC000865698918 630386854 /nfs/dbraw/zinc/38/68/54/630386854.db2.gz TXVFYJGBWOMKLQ-INIZCTEOSA-N 2 1 299.462 3.183 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000809735681 630791598 /nfs/dbraw/zinc/79/15/98/630791598.db2.gz OPSZIDXIJUIFFP-ZIAGYGMSSA-N 2 1 272.502 3.227 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000809753671 630800093 /nfs/dbraw/zinc/80/00/93/630800093.db2.gz XFWOYZVAFMCFQI-UHFFFAOYSA-N 2 1 292.814 3.070 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000809753671 630800097 /nfs/dbraw/zinc/80/00/97/630800097.db2.gz XFWOYZVAFMCFQI-UHFFFAOYSA-N 2 1 292.814 3.070 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccc(Cl)cn1)CC1CCCC1 ZINC000843384910 635656248 /nfs/dbraw/zinc/65/62/48/635656248.db2.gz HNYNBPYLNUBPGG-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP CC(C)(C)OC1CC([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000879202464 635725417 /nfs/dbraw/zinc/72/54/17/635725417.db2.gz GRJVXXBXHZOXSI-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccnc(Cl)c1 ZINC000817938331 632239181 /nfs/dbraw/zinc/23/91/81/632239181.db2.gz JDGBFMLVFMIHAG-LLVKDONJSA-N 2 1 267.804 3.047 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000817981218 632271929 /nfs/dbraw/zinc/27/19/29/632271929.db2.gz HGTKOTPQLVMONQ-IRXDYDNUSA-N 2 1 258.409 3.089 20 0 CGADMP CC1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820812369 632680922 /nfs/dbraw/zinc/68/09/22/632680922.db2.gz JGYRSYZZGNXNHC-WDVRLDOZSA-N 2 1 262.441 3.313 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561595 633191722 /nfs/dbraw/zinc/19/17/22/633191722.db2.gz HUEZCGQTICELMM-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561595 633191727 /nfs/dbraw/zinc/19/17/27/633191727.db2.gz HUEZCGQTICELMM-WBVHZDCISA-N 2 1 282.472 3.188 20 0 CGADMP CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000866702723 633234717 /nfs/dbraw/zinc/23/47/17/633234717.db2.gz FTCNPHOPVODZEO-DZGCQCFKSA-N 2 1 276.399 3.003 20 0 CGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@]1(C)CC1(Cl)Cl ZINC000827899106 633532087 /nfs/dbraw/zinc/53/20/87/633532087.db2.gz AJAPZUKOQHSIJT-STQMWFEESA-N 2 1 293.282 3.377 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@]1(C)CC1(Cl)Cl ZINC000827899106 633532093 /nfs/dbraw/zinc/53/20/93/633532093.db2.gz AJAPZUKOQHSIJT-STQMWFEESA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@]1(C)CC1(Cl)Cl ZINC000827899106 633532097 /nfs/dbraw/zinc/53/20/97/633532097.db2.gz AJAPZUKOQHSIJT-STQMWFEESA-N 2 1 293.282 3.377 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@]1(C)CC1(Cl)Cl ZINC000827899106 633532099 /nfs/dbraw/zinc/53/20/99/633532099.db2.gz AJAPZUKOQHSIJT-STQMWFEESA-N 2 1 293.282 3.377 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827933313 633536497 /nfs/dbraw/zinc/53/64/97/633536497.db2.gz VBMXEMPGSUNSFB-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827933313 633536500 /nfs/dbraw/zinc/53/65/00/633536500.db2.gz VBMXEMPGSUNSFB-QWHCGFSZSA-N 2 1 293.282 3.234 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872072657 633994976 /nfs/dbraw/zinc/99/49/76/633994976.db2.gz IEYHHSZIKSUVTP-JYJNAYRXSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872072657 633994979 /nfs/dbraw/zinc/99/49/79/633994979.db2.gz IEYHHSZIKSUVTP-JYJNAYRXSA-N 2 1 284.488 3.290 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ncccc23)[C@H]2CCC[C@@H]21 ZINC000872123691 634046601 /nfs/dbraw/zinc/04/66/01/634046601.db2.gz UQHMDTOAAUXIDB-NEWSRXKRSA-N 2 1 295.430 3.197 20 0 CGADMP COc1ccc(C[N@@H+](CCCCCC[NH3+])C2CC2)cc1 ZINC000846217718 636161224 /nfs/dbraw/zinc/16/12/24/636161224.db2.gz NDQFJVREVMAINJ-UHFFFAOYSA-N 2 1 276.424 3.179 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])[C@@H]2CCCC[C@H]12 ZINC000846217785 636161440 /nfs/dbraw/zinc/16/14/40/636161440.db2.gz BMSZSNIQQLBXRW-BZUAXINKSA-N 2 1 252.446 3.406 20 0 CGADMP Cc1cnc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872156654 634067216 /nfs/dbraw/zinc/06/72/16/634067216.db2.gz KXZIIRUNNYTBJP-HOCLYGCPSA-N 2 1 291.439 3.103 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156416 634067821 /nfs/dbraw/zinc/06/78/21/634067821.db2.gz JFBMDKHGBPCXJI-SJLPKXTDSA-N 3 1 295.515 3.125 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc(-c2ccccc2)nc1 ZINC000872158502 634069319 /nfs/dbraw/zinc/06/93/19/634069319.db2.gz VSSPXXBXEUQTFA-UHFFFAOYSA-N 2 1 298.434 3.095 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000832761954 634092511 /nfs/dbraw/zinc/09/25/11/634092511.db2.gz ZILTXLAFQMOUMW-INIZCTEOSA-N 2 1 272.436 3.180 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)nc1 ZINC000834909057 634284472 /nfs/dbraw/zinc/28/44/72/634284472.db2.gz JOISNALXHXGZAI-LBPRGKRZSA-N 2 1 281.831 3.260 20 0 CGADMP Cc1ccc(CCC[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000873223265 634291106 /nfs/dbraw/zinc/29/11/06/634291106.db2.gz KKFOWYOIDUOXCB-GOSISDBHSA-N 2 1 289.467 3.020 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000873223588 634291279 /nfs/dbraw/zinc/29/12/79/634291279.db2.gz OMZPNUUZPPGURO-IBGZPJMESA-N 2 1 297.446 3.432 20 0 CGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231392 634292748 /nfs/dbraw/zinc/29/27/48/634292748.db2.gz HSQWCFKESGFQDR-UHFFFAOYSA-N 2 1 294.487 3.206 20 0 CGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873238060 634296512 /nfs/dbraw/zinc/29/65/12/634296512.db2.gz WHNKCSNWWGHZEY-DOTOQJQBSA-N 2 1 289.467 3.161 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000019912894 634375973 /nfs/dbraw/zinc/37/59/73/634375973.db2.gz YCTHSGHTRBBLJI-ZDUSSCGKSA-N 2 1 282.378 3.319 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000019912894 634375980 /nfs/dbraw/zinc/37/59/80/634375980.db2.gz YCTHSGHTRBBLJI-ZDUSSCGKSA-N 2 1 282.378 3.319 20 0 CGADMP CN(Cc1cc(C(F)(F)F)co1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878125107 635369311 /nfs/dbraw/zinc/36/93/11/635369311.db2.gz LTCJACVZHVQKFW-NSHDSACASA-N 2 1 290.329 3.072 20 0 CGADMP [NH3+]CCCCCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000842471917 635375675 /nfs/dbraw/zinc/37/56/75/635375675.db2.gz GZLVHWXOYSTLBT-KRWDZBQOSA-N 2 1 294.414 3.108 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000842471917 635375678 /nfs/dbraw/zinc/37/56/78/635375678.db2.gz GZLVHWXOYSTLBT-KRWDZBQOSA-N 2 1 294.414 3.108 20 0 CGADMP Cc1cccc2c1CC[N@@H+](CCCCCCC[NH3+])C2 ZINC000842471945 635375850 /nfs/dbraw/zinc/37/58/50/635375850.db2.gz IMJSUORDQIXWDB-UHFFFAOYSA-N 2 1 260.425 3.262 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159813 635384953 /nfs/dbraw/zinc/38/49/53/635384953.db2.gz WSRCBKZVIQUCPM-HOTGVXAUSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159813 635384957 /nfs/dbraw/zinc/38/49/57/635384957.db2.gz WSRCBKZVIQUCPM-HOTGVXAUSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159813 635384964 /nfs/dbraw/zinc/38/49/64/635384964.db2.gz WSRCBKZVIQUCPM-HOTGVXAUSA-N 2 1 296.499 3.244 20 0 CGADMP CCN1CCC([N@@H+](C)CCCSC(C)(C)C)CC1 ZINC000878164840 635389379 /nfs/dbraw/zinc/38/93/79/635389379.db2.gz PJOLLHKRMRGPJA-UHFFFAOYSA-N 2 1 272.502 3.324 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCSC(C)(C)C)CC1 ZINC000878164840 635389385 /nfs/dbraw/zinc/38/93/85/635389385.db2.gz PJOLLHKRMRGPJA-UHFFFAOYSA-N 2 1 272.502 3.324 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCSC(C)(C)C)CC1 ZINC000878164840 635389389 /nfs/dbraw/zinc/38/93/89/635389389.db2.gz PJOLLHKRMRGPJA-UHFFFAOYSA-N 2 1 272.502 3.324 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC[C@@H]3CCCC3(F)F)CC[C@@H]21 ZINC000878197295 635408787 /nfs/dbraw/zinc/40/87/87/635408787.db2.gz NDADHTRYRLKXNP-ILXRZTDVSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)CC[C@@H]21 ZINC000878197295 635408793 /nfs/dbraw/zinc/40/87/93/635408793.db2.gz NDADHTRYRLKXNP-ILXRZTDVSA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)CC[C@@H]21 ZINC000878197295 635408801 /nfs/dbraw/zinc/40/88/01/635408801.db2.gz NDADHTRYRLKXNP-ILXRZTDVSA-N 2 1 286.410 3.228 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842925657 635513190 /nfs/dbraw/zinc/51/31/90/635513190.db2.gz ZZJIKRRPIHBWQB-AKHDSKFASA-N 2 1 286.463 3.356 20 0 CGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)oc21 ZINC000843051950 635550471 /nfs/dbraw/zinc/55/04/71/635550471.db2.gz NAWCXMALAWIAGZ-JSGCOSHPSA-N 2 1 288.391 3.001 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)C1CCC([NH3+])CC1 ZINC000843055310 635553386 /nfs/dbraw/zinc/55/33/86/635553386.db2.gz XWTXOGAFKODARJ-IHWYPQMZSA-N 2 1 280.362 3.180 20 0 CGADMP c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCC[NH2+]2)cc1 ZINC000843119918 635560803 /nfs/dbraw/zinc/56/08/03/635560803.db2.gz NJSSJEPABPIBDF-FJIDUMEYSA-N 2 1 270.420 3.149 20 0 CGADMP c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCC[NH2+]2)cc1 ZINC000843119918 635560807 /nfs/dbraw/zinc/56/08/07/635560807.db2.gz NJSSJEPABPIBDF-FJIDUMEYSA-N 2 1 270.420 3.149 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000879579044 635816087 /nfs/dbraw/zinc/81/60/87/635816087.db2.gz IWMSPFDDXIQJCU-LMMKCTJWSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000879579044 635816092 /nfs/dbraw/zinc/81/60/92/635816092.db2.gz IWMSPFDDXIQJCU-LMMKCTJWSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000879579044 635816094 /nfs/dbraw/zinc/81/60/94/635816094.db2.gz IWMSPFDDXIQJCU-LMMKCTJWSA-N 2 1 284.447 3.133 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002257 635895496 /nfs/dbraw/zinc/89/54/96/635895496.db2.gz IOMFBOWCAKNSMR-CYBMUJFWSA-N 2 1 289.345 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002257 635895500 /nfs/dbraw/zinc/89/55/00/635895500.db2.gz IOMFBOWCAKNSMR-CYBMUJFWSA-N 2 1 289.345 3.246 20 0 CGADMP CC(C)c1cnc(C[N@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000880517857 636013543 /nfs/dbraw/zinc/01/35/43/636013543.db2.gz XXWFLYMCXFRKRR-UHFFFAOYSA-N 2 1 293.455 3.496 20 0 CGADMP CC(C)c1cnc(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000880517857 636013547 /nfs/dbraw/zinc/01/35/47/636013547.db2.gz XXWFLYMCXFRKRR-UHFFFAOYSA-N 2 1 293.455 3.496 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)C[C@H]1CCOC1)C1CCCCC1 ZINC000846021626 636130301 /nfs/dbraw/zinc/13/03/01/636130301.db2.gz FFAYKHGHCPGQSH-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@H](C)c1ccnc(Cl)c1 ZINC000846177781 636153563 /nfs/dbraw/zinc/15/35/63/636153563.db2.gz RNDQIPMMHFQVOR-CYBMUJFWSA-N 2 1 283.847 3.364 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000846177781 636153566 /nfs/dbraw/zinc/15/35/66/636153566.db2.gz RNDQIPMMHFQVOR-CYBMUJFWSA-N 2 1 283.847 3.364 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000846177781 636153567 /nfs/dbraw/zinc/15/35/67/636153567.db2.gz RNDQIPMMHFQVOR-CYBMUJFWSA-N 2 1 283.847 3.364 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCCN(c2ccccc2)C1 ZINC000846220294 636163178 /nfs/dbraw/zinc/16/31/78/636163178.db2.gz NTZKFBIXRGPIAP-SFHVURJKSA-N 2 1 289.467 3.106 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCC2(CC2)C1)C1CC1 ZINC000883227908 636598617 /nfs/dbraw/zinc/59/86/17/636598617.db2.gz ARHPIMRCFINNJO-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000883273699 636644689 /nfs/dbraw/zinc/64/46/89/636644689.db2.gz QYFNBTYZGMKBHK-IHRRRGAJSA-N 2 1 274.399 3.132 20 0 CGADMP Cc1cccc(NC(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000849023765 636718913 /nfs/dbraw/zinc/71/89/13/636718913.db2.gz DRCRHIINEMNKIM-HNNXBMFYSA-N 2 1 288.439 3.052 20 0 CGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849028039 636721788 /nfs/dbraw/zinc/72/17/88/636721788.db2.gz YPJPZBNHLYLUDZ-INIZCTEOSA-N 2 1 288.439 3.060 20 0 CGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000849063806 636736962 /nfs/dbraw/zinc/73/69/62/636736962.db2.gz OVTQNOANOMBWEX-INIZCTEOSA-N 2 1 294.487 3.088 20 0 CGADMP C[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C1CCC([NH3+])CC1 ZINC000883417592 636749642 /nfs/dbraw/zinc/74/96/42/636749642.db2.gz GLRLMRXWKWLTLA-OPQOLIRYSA-N 2 1 288.435 3.108 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883428587 636751876 /nfs/dbraw/zinc/75/18/76/636751876.db2.gz XWIXFKUKEOQETM-QWHCGFSZSA-N 2 1 260.372 3.015 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437370 637063294 /nfs/dbraw/zinc/06/32/94/637063294.db2.gz LVDFAFOHRQUOOW-ZQIUZPCESA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437370 637063298 /nfs/dbraw/zinc/06/32/98/637063298.db2.gz LVDFAFOHRQUOOW-ZQIUZPCESA-N 2 1 288.435 3.145 20 0 CGADMP C[C@H]([NH2+][C@@H]1C=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850508547 637095177 /nfs/dbraw/zinc/09/51/77/637095177.db2.gz KFVHBNHKFZDYML-CGTJXYLNSA-N 2 1 270.420 3.205 20 0 CGADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000850541982 637114635 /nfs/dbraw/zinc/11/46/35/637114635.db2.gz FXDWJTISHNVRFT-KXBFYZLASA-N 2 1 299.462 3.009 20 0 CGADMP Fc1cccc(/C=C\C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000885924079 637314477 /nfs/dbraw/zinc/31/44/77/637314477.db2.gz GVGNYVFUICBTAC-FJKMSNPNSA-N 2 1 274.383 3.055 20 0 CGADMP Fc1cccc(/C=C\C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000885924079 637314483 /nfs/dbraw/zinc/31/44/83/637314483.db2.gz GVGNYVFUICBTAC-FJKMSNPNSA-N 2 1 274.383 3.055 20 0 CGADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000851750413 637492155 /nfs/dbraw/zinc/49/21/55/637492155.db2.gz FDEBHBFZEXPIPE-OKZBNKHCSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cccnc21 ZINC000886503762 637543234 /nfs/dbraw/zinc/54/32/34/637543234.db2.gz DHOCKTRDCPKIBL-DOTOQJQBSA-N 2 1 287.451 3.313 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000886511187 637547071 /nfs/dbraw/zinc/54/70/71/637547071.db2.gz LQIVXLLBYSBMCT-WCXIOVBPSA-N 2 1 282.472 3.044 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000886511187 637547073 /nfs/dbraw/zinc/54/70/73/637547073.db2.gz LQIVXLLBYSBMCT-WCXIOVBPSA-N 2 1 282.472 3.044 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCc2cccnc21)C(C)(C)C ZINC000886528183 637554790 /nfs/dbraw/zinc/55/47/90/637554790.db2.gz IHFAMYNVSPGSQV-LSDHHAIUSA-N 2 1 275.440 3.025 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC000852008566 637570032 /nfs/dbraw/zinc/57/00/32/637570032.db2.gz WBRJJRPSUQZXAE-IXDOHACOSA-N 2 1 276.468 3.230 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)[nH+]c1C ZINC000886659024 637637579 /nfs/dbraw/zinc/63/75/79/637637579.db2.gz ALMLQNXPBSZLMP-OAHLLOKOSA-N 2 1 291.439 3.021 20 0 CGADMP COC1(CC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)CCC1 ZINC000886660576 637639043 /nfs/dbraw/zinc/63/90/43/637639043.db2.gz AIYHAPHBXHVICD-UHFFFAOYSA-N 2 1 291.439 3.165 20 0 CGADMP Cc1[nH]c(C2CC[NH+]([C@H]3C=CCCC3)CC2)[nH+]c1C ZINC000886665966 637640793 /nfs/dbraw/zinc/64/07/93/637640793.db2.gz KEDRQYNLEOPSMY-HNNXBMFYSA-N 2 1 259.397 3.315 20 0 CGADMP C(CCC[N@H+]1CC[C@@H]2C[C@@H]2C1)CC[NH+]1CC[C@H]2C[C@H]2C1 ZINC000852633995 637688054 /nfs/dbraw/zinc/68/80/54/637688054.db2.gz FAIQDABBXJYTBI-USTZCAOPSA-N 2 1 276.468 3.230 20 0 CGADMP C(CCC[N@@H+]1CC[C@H]2C[C@H]2C1)CC[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000852633995 637688057 /nfs/dbraw/zinc/68/80/57/637688057.db2.gz FAIQDABBXJYTBI-USTZCAOPSA-N 2 1 276.468 3.230 20 0 CGADMP C(CCC[N@H+]1CC[C@H]2C[C@H]2C1)CC[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000852633995 637688058 /nfs/dbraw/zinc/68/80/58/637688058.db2.gz FAIQDABBXJYTBI-USTZCAOPSA-N 2 1 276.468 3.230 20 0 CGADMP CC1(C)C[C@@H](C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000886876143 637715656 /nfs/dbraw/zinc/71/56/56/637715656.db2.gz OAWXTIUWZKLSHN-YJBOKZPZSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000221827050 637753513 /nfs/dbraw/zinc/75/35/13/637753513.db2.gz VULUJCGDNFICJC-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000925489154 638221970 /nfs/dbraw/zinc/22/19/70/638221970.db2.gz OPZQITLFHONNNM-GUYCJALGSA-N 2 1 272.367 3.046 20 0 CGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924538271 638355837 /nfs/dbraw/zinc/35/58/37/638355837.db2.gz UNDNXMITKWGQBR-CSNJMZFVSA-N 2 1 296.499 3.434 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCOC[C@H]1C(C)C)[NH+](C)C ZINC000924630739 638380371 /nfs/dbraw/zinc/38/03/71/638380371.db2.gz BUOHANFMOBZCEW-ULQDDVLXSA-N 2 1 284.488 3.004 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2[nH]1 ZINC000924699390 638391084 /nfs/dbraw/zinc/39/10/84/638391084.db2.gz SCGRITDLTIFUPF-BPUTZDHNSA-N 2 1 283.419 3.445 20 0 CGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750988 638399980 /nfs/dbraw/zinc/39/99/80/638399980.db2.gz HYDLFBCVQPHALJ-ZACQAIPSSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750988 638399986 /nfs/dbraw/zinc/39/99/86/638399986.db2.gz HYDLFBCVQPHALJ-ZACQAIPSSA-N 2 1 296.499 3.148 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OC)n1 ZINC000925221612 638479312 /nfs/dbraw/zinc/47/93/12/638479312.db2.gz NKOIPPREKLQYAE-ILXRZTDVSA-N 2 1 291.439 3.004 20 0 CGADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925604350 638542416 /nfs/dbraw/zinc/54/24/16/638542416.db2.gz JUSXMMUYJGJEQT-BRWVUGGUSA-N 2 1 270.420 3.197 20 0 CGADMP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925654957 638557659 /nfs/dbraw/zinc/55/76/59/638557659.db2.gz HYORLGUOZSBUJR-ZQIUZPCESA-N 2 1 288.410 3.336 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925655096 638557916 /nfs/dbraw/zinc/55/79/16/638557916.db2.gz PPNPKPFBCQJHNM-ZOBUZTSGSA-N 2 1 270.420 3.115 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@H]2C[C@@]2(F)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925706944 638573771 /nfs/dbraw/zinc/57/37/71/638573771.db2.gz PGFNGWAUDIUMJU-WBTNSWJXSA-N 2 1 276.399 3.119 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000925719351 638578873 /nfs/dbraw/zinc/57/88/73/638578873.db2.gz SGPPWEQANMDHDV-RKOFLFEYSA-N 2 1 258.409 3.101 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(C(F)(F)F)nc1 ZINC000925731446 638586189 /nfs/dbraw/zinc/58/61/89/638586189.db2.gz KSCAIQAWVBCGPN-GAFUQQFSSA-N 2 1 299.340 3.021 20 0 CGADMP CC[C@@H](C1CCCCC1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752875 638597156 /nfs/dbraw/zinc/59/71/56/638597156.db2.gz ZQZBIZBPAZUTTK-AWEZNQCLSA-N 2 1 293.480 3.319 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917280 638604607 /nfs/dbraw/zinc/60/46/07/638604607.db2.gz UQPKIXDXGFTNQR-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917280 638604617 /nfs/dbraw/zinc/60/46/17/638604617.db2.gz UQPKIXDXGFTNQR-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925827781 638623624 /nfs/dbraw/zinc/62/36/24/638623624.db2.gz TWXZHFXQAGCDML-MYSGWJLTSA-N 2 1 298.430 3.306 20 0 CGADMP c1ccc2ncc(CC[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000925832379 638625874 /nfs/dbraw/zinc/62/58/74/638625874.db2.gz NZHIDFQEKAZXDX-GOSISDBHSA-N 2 1 295.430 3.042 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000858111742 638632484 /nfs/dbraw/zinc/63/24/84/638632484.db2.gz RDLSTIAFHNPMAU-CZUORRHYSA-N 2 1 278.415 3.392 20 0 CGADMP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000925862047 638634123 /nfs/dbraw/zinc/63/41/23/638634123.db2.gz WPXKYUNYOJLJAQ-NBLCHNQSSA-N 2 1 299.462 3.128 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)CC1(C)C ZINC000858135423 638638872 /nfs/dbraw/zinc/63/88/72/638638872.db2.gz UMQNXEHNSNEYCN-OJXHRBAXSA-N 2 1 258.409 3.162 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000858490613 638740259 /nfs/dbraw/zinc/74/02/59/638740259.db2.gz KXHIQIGDOJMWIJ-CABCVRRESA-N 2 1 288.435 3.004 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858490316 638740323 /nfs/dbraw/zinc/74/03/23/638740323.db2.gz GEIAUFOBKFIYIB-QAPCUYQASA-N 2 1 272.436 3.304 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H](c1ccccn1)C1CCC1)C1CC1 ZINC000926560985 638785185 /nfs/dbraw/zinc/78/51/85/638785185.db2.gz VLLUGMFOGCAHJY-GOSISDBHSA-N 2 1 287.451 3.387 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926807017 638814347 /nfs/dbraw/zinc/81/43/47/638814347.db2.gz JZEAEKPOJJNNAT-OIISXLGYSA-N 2 1 288.435 3.363 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926807017 638814350 /nfs/dbraw/zinc/81/43/50/638814350.db2.gz JZEAEKPOJJNNAT-OIISXLGYSA-N 2 1 288.435 3.363 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000926903016 638823356 /nfs/dbraw/zinc/82/33/56/638823356.db2.gz CYAQHXXCEKLBDE-OFQRWUPVSA-N 2 1 276.424 3.137 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000926903016 638823357 /nfs/dbraw/zinc/82/33/57/638823357.db2.gz CYAQHXXCEKLBDE-OFQRWUPVSA-N 2 1 276.424 3.137 20 0 CGADMP Cc1cc(C)nc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000930310428 638990032 /nfs/dbraw/zinc/99/00/32/638990032.db2.gz YFEKFFOYXCAOQU-UHFFFAOYSA-N 2 1 287.451 3.006 20 0 CGADMP CC[N@@H+](C/C=C(\C)COC)Cc1ccc(C[NH+](C)C)cc1 ZINC000931271991 639129995 /nfs/dbraw/zinc/12/99/95/639129995.db2.gz OOUAAFYDLSAXBF-LFIBNONCSA-N 2 1 290.451 3.163 20 0 CGADMP CC(F)(F)CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000931466042 639155865 /nfs/dbraw/zinc/15/58/65/639155865.db2.gz SVIBIQMGMIUKBE-UHFFFAOYSA-N 2 1 274.399 3.372 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932204235 639296269 /nfs/dbraw/zinc/29/62/69/639296269.db2.gz PTRJKZLURRBTNC-OAHLLOKOSA-N 2 1 295.496 3.130 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932204235 639296278 /nfs/dbraw/zinc/29/62/78/639296278.db2.gz PTRJKZLURRBTNC-OAHLLOKOSA-N 2 1 295.496 3.130 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932890658 639394435 /nfs/dbraw/zinc/39/44/35/639394435.db2.gz MCMKUXGQWNGDMX-QZTJIDSGSA-N 2 1 287.451 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932890658 639394442 /nfs/dbraw/zinc/39/44/42/639394442.db2.gz MCMKUXGQWNGDMX-QZTJIDSGSA-N 2 1 287.451 3.482 20 0 CGADMP COc1ccc(Cl)cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847595 640725289 /nfs/dbraw/zinc/72/52/89/640725289.db2.gz CYOFMXNXOCAWHZ-UHFFFAOYSA-N 2 1 282.815 3.050 20 0 CGADMP CCC[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133666 640858911 /nfs/dbraw/zinc/85/89/11/640858911.db2.gz CVKDNZYWCVHWSS-ROUUACIJSA-N 2 1 272.436 3.398 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133666 640858912 /nfs/dbraw/zinc/85/89/12/640858912.db2.gz CVKDNZYWCVHWSS-ROUUACIJSA-N 2 1 272.436 3.398 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC(C[NH+](C)C)CC1 ZINC000645127467 721945930 /nfs/dbraw/zinc/94/59/30/721945930.db2.gz PXCDVEUQIDOJHJ-UHFFFAOYSA-N 2 1 283.419 3.321 20 0 CGADMP Cc1nc(NCc2cccc(C[NH+](C)C)c2)c(C)c(C)[nH+]1 ZINC001156051881 805646226 /nfs/dbraw/zinc/64/62/26/805646226.db2.gz KZRIFGRYNOXISI-UHFFFAOYSA-N 2 1 284.407 3.076 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC1(C)CC[NH2+]CC1 ZINC001157401431 805806281 /nfs/dbraw/zinc/80/62/81/805806281.db2.gz HNQHKWIHTPMNTN-UHFFFAOYSA-N 2 1 255.365 3.097 20 0 CGADMP CCC[NH+]1C[C@@H]2CN(c3[nH+]ccc4cccc(C)c43)C[C@H]2C1 ZINC001157699663 805855463 /nfs/dbraw/zinc/85/54/63/805855463.db2.gz MCQFETVXUOYXCG-IAGOWNOFSA-N 2 1 295.430 3.321 20 0 CGADMP COc1ccc2c(C)cc(NCC[C@H]3CCC[NH2+]3)[nH+]c2c1 ZINC001158627929 805979979 /nfs/dbraw/zinc/97/99/79/805979979.db2.gz RYFAAXVMZGZZSW-CYBMUJFWSA-N 2 1 285.391 3.106 20 0 CGADMP Cc1cccc2ccnc(NCC[C@H]3CCC[N@@H+]3C)c12 ZINC001160970677 806331105 /nfs/dbraw/zinc/33/11/05/806331105.db2.gz OAYRTCJYUMDHSV-OAHLLOKOSA-N 2 1 269.392 3.439 20 0 CGADMP Cc1cccc2cc[nH+]c(NCC[C@H]3CCC[N@H+]3C)c12 ZINC001160970677 806331113 /nfs/dbraw/zinc/33/11/13/806331113.db2.gz OAYRTCJYUMDHSV-OAHLLOKOSA-N 2 1 269.392 3.439 20 0 CGADMP Cc1cccc2cc[nH+]c(NCC[C@H]3CCC[N@@H+]3C)c12 ZINC001160970677 806331122 /nfs/dbraw/zinc/33/11/22/806331122.db2.gz OAYRTCJYUMDHSV-OAHLLOKOSA-N 2 1 269.392 3.439 20 0 CGADMP CC(C)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001161648505 806411939 /nfs/dbraw/zinc/41/19/39/806411939.db2.gz LKLDGOQSUCCYHR-OAHLLOKOSA-N 2 1 286.423 3.419 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001254504323 806423143 /nfs/dbraw/zinc/42/31/43/806423143.db2.gz TYVQKLPSFKRQFE-MRXNPFEDSA-N 2 1 252.446 3.421 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC001254500026 806420886 /nfs/dbraw/zinc/42/08/86/806420886.db2.gz SLRZYCAJPOEHFI-CYBMUJFWSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC001254500026 806420889 /nfs/dbraw/zinc/42/08/89/806420889.db2.gz SLRZYCAJPOEHFI-CYBMUJFWSA-N 2 1 270.779 3.053 20 0 CGADMP Cc1ccc2c(CC[NH3+])cn([C@H]3CCC[N@H+](C)CC3)c2c1 ZINC001254500856 806421164 /nfs/dbraw/zinc/42/11/64/806421164.db2.gz MJQLDAPAQYBEPI-INIZCTEOSA-N 2 1 285.435 3.108 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC001254509384 806429613 /nfs/dbraw/zinc/42/96/13/806429613.db2.gz MYGTYKGYBUOTPL-AWEZNQCLSA-N 2 1 284.806 3.096 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)CC1 ZINC001254509955 806429632 /nfs/dbraw/zinc/42/96/32/806429632.db2.gz KPRBYWSGCBAGPX-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC001254505040 806424531 /nfs/dbraw/zinc/42/45/31/806424531.db2.gz YDWRPECDCLCTNU-ZDUSSCGKSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC001254505040 806424535 /nfs/dbraw/zinc/42/45/35/806424535.db2.gz YDWRPECDCLCTNU-ZDUSSCGKSA-N 2 1 270.779 3.053 20 0 CGADMP C[N@H+]1CCC[C@H](n2c3ccccc3c3c2CC[C@H]([NH3+])C3)CC1 ZINC001254505757 806425510 /nfs/dbraw/zinc/42/55/10/806425510.db2.gz ISZLLXFOTWSLHF-GJZGRUSLSA-N 2 1 297.446 3.114 20 0 CGADMP Cc1ccc(Cl)c(CC[NH2+][C@@H]2CCC[N@H+](C)CC2)c1F ZINC001254508801 806428233 /nfs/dbraw/zinc/42/82/33/806428233.db2.gz MHMUQTRZLNCOIX-CYBMUJFWSA-N 2 1 298.833 3.404 20 0 CGADMP COc1cccc(CC(C)(C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254512368 806432504 /nfs/dbraw/zinc/43/25/04/806432504.db2.gz MDLMMKZYLPZECV-MRXNPFEDSA-N 2 1 290.451 3.090 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]C2(C)CCC(F)(F)CC2)CC1 ZINC001254512212 806432565 /nfs/dbraw/zinc/43/25/65/806432565.db2.gz KNIYYNDDBLNUMD-LBPRGKRZSA-N 2 1 260.372 3.028 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001254512366 806433169 /nfs/dbraw/zinc/43/31/69/806433169.db2.gz MDFPAAAMBLSVJP-OKZBNKHCSA-N 2 1 272.436 3.397 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254523784 806437743 /nfs/dbraw/zinc/43/77/43/806437743.db2.gz ROQRBKZWESQNCG-WBVHZDCISA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254523784 806437752 /nfs/dbraw/zinc/43/77/52/806437752.db2.gz ROQRBKZWESQNCG-WBVHZDCISA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccccc1[C@@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523784 806437757 /nfs/dbraw/zinc/43/77/57/806437757.db2.gz ROQRBKZWESQNCG-WBVHZDCISA-N 2 1 288.435 3.316 20 0 CGADMP C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCC[NH+](C)CC1 ZINC001254524007 806439975 /nfs/dbraw/zinc/43/99/75/806439975.db2.gz UNJUXOOTBABTBZ-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524007 806439977 /nfs/dbraw/zinc/43/99/77/806439977.db2.gz UNJUXOOTBABTBZ-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP C[NH+](Cc1cccc2cccnc21)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524007 806439978 /nfs/dbraw/zinc/43/99/78/806439978.db2.gz UNJUXOOTBABTBZ-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001254531560 806444186 /nfs/dbraw/zinc/44/41/86/806444186.db2.gz HGJXJRYESKIFGY-MSOLQXFVSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001254531560 806444189 /nfs/dbraw/zinc/44/41/89/806444189.db2.gz HGJXJRYESKIFGY-MSOLQXFVSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001254531560 806444192 /nfs/dbraw/zinc/44/41/92/806444192.db2.gz HGJXJRYESKIFGY-MSOLQXFVSA-N 2 1 290.426 3.317 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2Cc3ccccc3C2)CC1 ZINC001255027747 806530384 /nfs/dbraw/zinc/53/03/84/806530384.db2.gz LDYUJLNJUHGHIQ-UHFFFAOYSA-N 2 1 286.463 3.206 20 0 CGADMP C[N@H+](C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136398 806551423 /nfs/dbraw/zinc/55/14/23/806551423.db2.gz KLKQRBCTBQKOJC-PIIMJCKOSA-N 2 1 270.420 3.276 20 0 CGADMP C[N@@H+](C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136398 806551428 /nfs/dbraw/zinc/55/14/28/806551428.db2.gz KLKQRBCTBQKOJC-PIIMJCKOSA-N 2 1 270.420 3.276 20 0 CGADMP C[NH+](C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136398 806551434 /nfs/dbraw/zinc/55/14/34/806551434.db2.gz KLKQRBCTBQKOJC-PIIMJCKOSA-N 2 1 270.420 3.276 20 0 CGADMP C[NH+](C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136398 806551441 /nfs/dbraw/zinc/55/14/41/806551441.db2.gz KLKQRBCTBQKOJC-PIIMJCKOSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(C(C)(C)C)cc[nH+]1 ZINC001162469700 806593100 /nfs/dbraw/zinc/59/31/00/806593100.db2.gz CSRVXAJKJLVYBK-ZIAGYGMSSA-N 2 1 275.440 3.427 20 0 CGADMP CC1(C)CCC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001255304215 806602253 /nfs/dbraw/zinc/60/22/53/806602253.db2.gz IPGFIHCZFVVCSO-UHFFFAOYSA-N 2 1 276.468 3.373 20 0 CGADMP CC1(C)CCC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001255304215 806602258 /nfs/dbraw/zinc/60/22/58/806602258.db2.gz IPGFIHCZFVVCSO-UHFFFAOYSA-N 2 1 276.468 3.373 20 0 CGADMP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001255317815 806609231 /nfs/dbraw/zinc/60/92/31/806609231.db2.gz RYEHXZBRDYJRDR-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001255317815 806609237 /nfs/dbraw/zinc/60/92/37/806609237.db2.gz RYEHXZBRDYJRDR-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3ccccn3)CC2)cc1 ZINC001255375672 806627984 /nfs/dbraw/zinc/62/79/84/806627984.db2.gz GBJGIDYKFIBHOO-SFHVURJKSA-N 2 1 295.430 3.226 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccccn3)CC2)cc1 ZINC001255375672 806627990 /nfs/dbraw/zinc/62/79/90/806627990.db2.gz GBJGIDYKFIBHOO-SFHVURJKSA-N 2 1 295.430 3.226 20 0 CGADMP COC(C)(C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384274 806629624 /nfs/dbraw/zinc/62/96/24/806629624.db2.gz XCGHAHZTAJRTSC-QGZVFWFLSA-N 2 1 290.451 3.056 20 0 CGADMP c1ccn(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255384635 806630388 /nfs/dbraw/zinc/63/03/88/806630388.db2.gz ZYPPKAPKOKJWRN-LJQANCHMSA-N 2 1 297.446 3.132 20 0 CGADMP FC1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397411 806633109 /nfs/dbraw/zinc/63/31/09/806633109.db2.gz GLADCKDMDUBHIY-SFHVURJKSA-N 2 1 290.426 3.475 20 0 CGADMP Cc1ccc2c(C[C@H](C)[NH3+])cn([C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC001255473727 806647810 /nfs/dbraw/zinc/64/78/10/806647810.db2.gz XHZLJWOOAIBGHN-GOEBONIOSA-N 2 1 285.435 3.106 20 0 CGADMP CCCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037644247 798872252 /nfs/dbraw/zinc/87/22/52/798872252.db2.gz RHGQRXFIONWELF-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC000251301586 799164280 /nfs/dbraw/zinc/16/42/80/799164280.db2.gz IDDNCIOHZGMSHR-HOTGVXAUSA-N 2 1 264.388 3.118 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC001255722016 806720827 /nfs/dbraw/zinc/72/08/27/806720827.db2.gz VPZYJDMOWZKWSM-RDBSUJKOSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC001255722016 806720832 /nfs/dbraw/zinc/72/08/32/806720832.db2.gz VPZYJDMOWZKWSM-RDBSUJKOSA-N 2 1 290.373 3.135 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC001255722016 806720834 /nfs/dbraw/zinc/72/08/34/806720834.db2.gz VPZYJDMOWZKWSM-RDBSUJKOSA-N 2 1 290.373 3.135 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001255736500 806727888 /nfs/dbraw/zinc/72/78/88/806727888.db2.gz ANCXVTQJPJBWSG-IOASZLSFSA-N 2 1 296.455 3.236 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001255736500 806727889 /nfs/dbraw/zinc/72/78/89/806727889.db2.gz ANCXVTQJPJBWSG-IOASZLSFSA-N 2 1 296.455 3.236 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380956351 799368767 /nfs/dbraw/zinc/36/87/67/799368767.db2.gz UVMVYVAMLRNFMB-BPQIPLTHSA-N 2 1 272.436 3.287 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000382825209 799398843 /nfs/dbraw/zinc/39/88/43/799398843.db2.gz BWILXJLXCAHPPI-IOASZLSFSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000382825209 799398849 /nfs/dbraw/zinc/39/88/49/799398849.db2.gz BWILXJLXCAHPPI-IOASZLSFSA-N 2 1 280.843 3.201 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1F ZINC000384479016 799416040 /nfs/dbraw/zinc/41/60/40/799416040.db2.gz WTLKBKBVZLJEKR-QGZVFWFLSA-N 2 1 276.399 3.100 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1F ZINC000384479016 799416046 /nfs/dbraw/zinc/41/60/46/799416046.db2.gz WTLKBKBVZLJEKR-QGZVFWFLSA-N 2 1 276.399 3.100 20 0 CGADMP C[N@@H+](CC1CCC(C)(C)CC1)C1CCC([NH3+])CC1 ZINC000386717161 799439214 /nfs/dbraw/zinc/43/92/14/799439214.db2.gz WYLBBEXYSREAQO-UHFFFAOYSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC(C)(C)C1 ZINC000389112143 799459925 /nfs/dbraw/zinc/45/99/25/799459925.db2.gz LGVMYMPWVIDDBV-WCVJEAGWSA-N 2 1 264.457 3.133 20 0 CGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]cc1 ZINC000390966164 799476319 /nfs/dbraw/zinc/47/63/19/799476319.db2.gz PFBDIJZSEKLJDC-SFHVURJKSA-N 2 1 295.430 3.216 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398329013 799529587 /nfs/dbraw/zinc/52/95/87/799529587.db2.gz PULHLHWLFLCEJN-XXQMMXQMSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398329013 799529589 /nfs/dbraw/zinc/52/95/89/799529589.db2.gz PULHLHWLFLCEJN-XXQMMXQMSA-N 2 1 284.447 3.285 20 0 CGADMP CO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C12CCC2 ZINC000453065898 799631090 /nfs/dbraw/zinc/63/10/90/799631090.db2.gz VVHDSLMFZRPDNT-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000469993965 799646478 /nfs/dbraw/zinc/64/64/78/799646478.db2.gz VTWXCDIHDXIMPO-PBHICJAKSA-N 2 1 274.452 3.196 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000469993965 799646482 /nfs/dbraw/zinc/64/64/82/799646482.db2.gz VTWXCDIHDXIMPO-PBHICJAKSA-N 2 1 274.452 3.196 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687964764 799742510 /nfs/dbraw/zinc/74/25/10/799742510.db2.gz XWBUMGONAGAHGK-CYBMUJFWSA-N 2 1 264.438 3.158 20 0 CGADMP c1c(C[N@H+]2CCC[C@H]2C2CCC2)sc2c1C[NH2+]CC2 ZINC000688300314 799747374 /nfs/dbraw/zinc/74/73/74/799747374.db2.gz CDSRWJBVJTZUHC-HNNXBMFYSA-N 2 1 276.449 3.158 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)s1 ZINC000693925154 799817921 /nfs/dbraw/zinc/81/79/21/799817921.db2.gz KJTQULXECRSKOX-OLZOCXBDSA-N 2 1 252.427 3.191 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647971 799831029 /nfs/dbraw/zinc/83/10/29/799831029.db2.gz KRWGFYWGUYKCCH-GDBMZVCRSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC000695698364 799832525 /nfs/dbraw/zinc/83/25/25/799832525.db2.gz DZKFLLCQPKLFKP-DZGCQCFKSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CCC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263148 799859737 /nfs/dbraw/zinc/85/97/37/799859737.db2.gz HXEOYSOYFHDYDZ-NIOBXDJOSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000699262562 799859438 /nfs/dbraw/zinc/85/94/38/799859438.db2.gz DIGOAZFOMFLQNW-GOOCMWNKSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)[C@@H]1CCC[NH3+] ZINC000703887303 799933150 /nfs/dbraw/zinc/93/31/50/799933150.db2.gz STSANLQZHNWVQV-IUODEOHRSA-N 2 1 281.831 3.074 20 0 CGADMP [NH3+]CCC1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000705547147 799951290 /nfs/dbraw/zinc/95/12/90/799951290.db2.gz SFYPRFKCILJGQH-UHFFFAOYSA-N 2 1 288.769 3.179 20 0 CGADMP CS[C@@H]1CC[C@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707271612 799977099 /nfs/dbraw/zinc/97/70/99/799977099.db2.gz SOTOMCSWYUWUKU-GWONACJQSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@]12C[C@H]1CCCC2 ZINC000709171305 800004927 /nfs/dbraw/zinc/00/49/27/800004927.db2.gz QVLXRTPYYZDDTI-FZKCQIBNSA-N 2 1 250.430 3.029 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709893491 800022099 /nfs/dbraw/zinc/02/20/99/800022099.db2.gz UOCOKVIZSHNQLA-QGZVFWFLSA-N 2 1 264.457 3.422 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ccc(F)cn1)C1CC1 ZINC001255954309 806796867 /nfs/dbraw/zinc/79/68/67/806796867.db2.gz TZMMPVWTGZHONH-CXAGYDPISA-N 2 1 293.430 3.382 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ccnc(F)c1)C1CC1 ZINC001255953735 806797156 /nfs/dbraw/zinc/79/71/56/806797156.db2.gz NJWYDSBXRONNTM-SUMWQHHRSA-N 2 1 293.430 3.382 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)ccc1F ZINC000710799670 800039977 /nfs/dbraw/zinc/03/99/77/800039977.db2.gz RQTJVWUCRVOKOU-UHFFFAOYSA-N 2 1 272.795 3.430 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001255955762 806797900 /nfs/dbraw/zinc/79/79/00/806797900.db2.gz DKOYDQWOZYXBBB-UONOGXRCSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001255965284 806802184 /nfs/dbraw/zinc/80/21/84/806802184.db2.gz ZJFVOTPHLSOOEO-SJORKVTESA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001255965284 806802191 /nfs/dbraw/zinc/80/21/91/806802191.db2.gz ZJFVOTPHLSOOEO-SJORKVTESA-N 2 1 289.467 3.381 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000714314597 800119585 /nfs/dbraw/zinc/11/95/85/800119585.db2.gz ITNQORIRPYUFCX-LTIDMASMSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000715493136 800135937 /nfs/dbraw/zinc/13/59/37/800135937.db2.gz WXXJAKVTAAAHCV-QWRGUYRKSA-N 2 1 272.845 3.364 20 0 CGADMP FCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624987 800177544 /nfs/dbraw/zinc/17/75/44/800177544.db2.gz JXEADJKNGPAOJM-BZSNNMDCSA-N 2 1 290.426 3.379 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000717460527 800202369 /nfs/dbraw/zinc/20/23/69/800202369.db2.gz COUPMLQTJSOFJY-SDKNFDLMSA-N 2 1 264.457 3.416 20 0 CGADMP FC(F)(F)[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256074166 806812286 /nfs/dbraw/zinc/81/22/86/806812286.db2.gz MWHVVUMYYLTHSZ-HAQNSBGRSA-N 2 1 290.373 3.324 20 0 CGADMP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723675165 800336706 /nfs/dbraw/zinc/33/67/06/800336706.db2.gz PHADVSOZPNTZGS-NWDGAFQWSA-N 2 1 297.240 3.181 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000723701579 800337557 /nfs/dbraw/zinc/33/75/57/800337557.db2.gz OEQLZTCAXUSJCQ-SNVBAGLBSA-N 2 1 290.304 3.015 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000723691574 800337852 /nfs/dbraw/zinc/33/78/52/800337852.db2.gz QOWSOXFMYVRGBS-GFCCVEGCSA-N 2 1 266.454 3.216 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)CC1 ZINC001256196693 806848085 /nfs/dbraw/zinc/84/80/85/806848085.db2.gz VKXTZXCGJWQDBV-HDJSIYSDSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000925706813 800632261 /nfs/dbraw/zinc/63/22/61/800632261.db2.gz OCKSBWKCWFWBHA-OSMBCOQSSA-N 2 1 258.409 3.101 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(c3cccs3)CC2)CC1 ZINC001256207567 806850247 /nfs/dbraw/zinc/85/02/47/806850247.db2.gz NILBOJUYXDJGOP-UHFFFAOYSA-N 2 1 264.438 3.022 20 0 CGADMP CC(C)CC[C@@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001256365443 806870120 /nfs/dbraw/zinc/87/01/20/806870120.db2.gz QIEKZHGLUJPGKL-OAHLLOKOSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)CC[C@@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001256365443 806870121 /nfs/dbraw/zinc/87/01/21/806870121.db2.gz QIEKZHGLUJPGKL-OAHLLOKOSA-N 2 1 264.457 3.229 20 0 CGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)CCC(C)C)CC1 ZINC001256370478 806872273 /nfs/dbraw/zinc/87/22/73/806872273.db2.gz IRVQWPICJDXRNW-AEFFLSMTSA-N 2 1 296.499 3.386 20 0 CGADMP C[C@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256570082 806918984 /nfs/dbraw/zinc/91/89/84/806918984.db2.gz XMGBYBUELNPOIR-AWEZNQCLSA-N 2 1 252.446 3.371 20 0 CGADMP C[N@H+](Cc1cccs1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256571173 806919171 /nfs/dbraw/zinc/91/91/71/806919171.db2.gz DTLZGYILXPMUKZ-UHFFFAOYSA-N 2 1 266.454 3.443 20 0 CGADMP C[N@@H+](Cc1cccs1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256571173 806919175 /nfs/dbraw/zinc/91/91/75/806919175.db2.gz DTLZGYILXPMUKZ-UHFFFAOYSA-N 2 1 266.454 3.443 20 0 CGADMP COC(C)(C)[C@@H]1CCC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256573566 806919228 /nfs/dbraw/zinc/91/92/28/806919228.db2.gz KGAJRECCIGCOSO-HNNXBMFYSA-N 2 1 282.472 3.139 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001256573747 806919626 /nfs/dbraw/zinc/91/96/26/806919626.db2.gz MYJSIEMMNNQXDQ-GFCCVEGCSA-N 2 1 274.399 3.226 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001256573747 806919629 /nfs/dbraw/zinc/91/96/29/806919629.db2.gz MYJSIEMMNNQXDQ-GFCCVEGCSA-N 2 1 274.399 3.226 20 0 CGADMP COc1cc(N2CCC[C@](C)(C[NH3+])CC2)[nH+]c2ccccc21 ZINC001164246868 806922445 /nfs/dbraw/zinc/92/24/45/806922445.db2.gz CTRPBWCHOQQGCS-SFHVURJKSA-N 2 1 299.418 3.199 20 0 CGADMP Cc1c(CC[NH3+])c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614435 806925964 /nfs/dbraw/zinc/92/59/64/806925964.db2.gz SXNIHIFIFYMJLS-XYPWUTKMSA-N 2 1 297.446 3.249 20 0 CGADMP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC001116542151 802374253 /nfs/dbraw/zinc/37/42/53/802374253.db2.gz KSIHODDQXUVXSO-CQSZACIVSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172845073 808458991 /nfs/dbraw/zinc/45/89/91/808458991.db2.gz KTOLRVDJWTVVJI-STQMWFEESA-N 2 1 298.833 3.342 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118264244 802543323 /nfs/dbraw/zinc/54/33/23/802543323.db2.gz ZOVRBXZRSQZBHT-UHFFFAOYSA-N 2 1 252.446 3.278 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1(C)C ZINC001119930092 802708484 /nfs/dbraw/zinc/70/84/84/802708484.db2.gz ZGGYGGSMPZLZQI-FXUDXRNXSA-N 2 1 282.472 3.041 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCC(F)(F)F)CC1 ZINC001119929540 802708837 /nfs/dbraw/zinc/70/88/37/802708837.db2.gz NZJZTODQHWBRBM-UHFFFAOYSA-N 2 1 280.378 3.381 20 0 CGADMP c1cc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)cs1 ZINC001256898069 807001650 /nfs/dbraw/zinc/00/16/50/807001650.db2.gz JPDXYIRAQFWZBL-OAHLLOKOSA-N 2 1 278.465 3.287 20 0 CGADMP c1cc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC001256898069 807001658 /nfs/dbraw/zinc/00/16/58/807001658.db2.gz JPDXYIRAQFWZBL-OAHLLOKOSA-N 2 1 278.465 3.287 20 0 CGADMP CC[N@H+]1CCc2cc(/C=C/C3CC[NH2+]CC3)ccc2C1 ZINC001243891956 803063080 /nfs/dbraw/zinc/06/30/80/803063080.db2.gz FUNRJSMTJYXRJB-ONEGZZNKSA-N 2 1 270.420 3.077 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280689 812928341 /nfs/dbraw/zinc/92/83/41/812928341.db2.gz FZWKOKPTMGJKLJ-HNNXBMFYSA-N 2 1 264.438 3.112 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206014010 813166741 /nfs/dbraw/zinc/16/67/41/813166741.db2.gz UZVPJGRTDVNHGL-JQWIXIFHSA-N 2 1 272.845 3.208 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206807370 813443111 /nfs/dbraw/zinc/44/31/11/813443111.db2.gz IPGCPKFGXCBKHG-UONOGXRCSA-N 2 1 294.414 3.174 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206807370 813443116 /nfs/dbraw/zinc/44/31/16/813443116.db2.gz IPGCPKFGXCBKHG-UONOGXRCSA-N 2 1 294.414 3.174 20 0 CGADMP C[N@H+]1CC[C@H](c2ccc(-c3cccc(OCC[NH3+])c3)cc2)C1 ZINC001244326472 803305551 /nfs/dbraw/zinc/30/55/51/803305551.db2.gz NSPPYZSGKUFBNM-SFHVURJKSA-N 2 1 296.414 3.110 20 0 CGADMP C[NH2+]Cc1cccc(-c2cc3[nH]ccc3c(C)[nH+]2)c1F ZINC001244859232 803551855 /nfs/dbraw/zinc/55/18/55/803551855.db2.gz HDXLEBYFQXHOIM-UHFFFAOYSA-N 2 1 269.323 3.397 20 0 CGADMP Cc1ccc2c(C[N@@H+]3C[C@H]4CCCN(C)[C@H]4C3)c[nH]c2c1 ZINC001136976179 803665730 /nfs/dbraw/zinc/66/57/30/803665730.db2.gz ZLYNQCODODYIQC-KDOFPFPSSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccc2c(CN3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c[nH]c2c1 ZINC001136976179 803665732 /nfs/dbraw/zinc/66/57/32/803665732.db2.gz ZLYNQCODODYIQC-KDOFPFPSSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1ccc2c(CN3C[C@H]4CCC[N@H+](C)[C@H]4C3)c[nH]c2c1 ZINC001136976179 803665736 /nfs/dbraw/zinc/66/57/36/803665736.db2.gz ZLYNQCODODYIQC-KDOFPFPSSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC001138548010 803965421 /nfs/dbraw/zinc/96/54/21/803965421.db2.gz ZKQYYLPCENMZMS-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC001138548010 803965425 /nfs/dbraw/zinc/96/54/25/803965425.db2.gz ZKQYYLPCENMZMS-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4occc4c3)C2)CC1 ZINC001138825750 804051144 /nfs/dbraw/zinc/05/11/44/804051144.db2.gz VTKPZMIYFMNYQI-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP CCCCC[C@H](O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246054087 804104323 /nfs/dbraw/zinc/10/43/23/804104323.db2.gz WRAZBGDMYXIWBY-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP CCCCC[C@H](O)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246054091 804105323 /nfs/dbraw/zinc/10/53/23/804105323.db2.gz WRAZBGDMYXIWBY-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C[NH2+]1 ZINC001246078309 804115977 /nfs/dbraw/zinc/11/59/77/804115977.db2.gz CNJILAQOVDWSQM-ZFWWWQNUSA-N 2 1 250.430 3.220 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086296 804120359 /nfs/dbraw/zinc/12/03/59/804120359.db2.gz TZIQJCVZBNGDNH-SRVKXCTJSA-N 2 1 284.806 3.140 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086831 804120833 /nfs/dbraw/zinc/12/08/33/804120833.db2.gz WDLMRGASBRZPQJ-HUBLWGQQSA-N 2 1 266.816 3.001 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246099716 804132179 /nfs/dbraw/zinc/13/21/79/804132179.db2.gz YNSKCYOGROJVCY-IINYFYTJSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113851 804144320 /nfs/dbraw/zinc/14/43/20/804144320.db2.gz OBTDFZBGUDABBW-CZUORRHYSA-N 2 1 298.833 3.342 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(ccn3C)c2)CC1 ZINC001139189663 804153741 /nfs/dbraw/zinc/15/37/41/804153741.db2.gz HJTILXRUYUYVEB-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(ccn3C)c2)CC1 ZINC001139189663 804153744 /nfs/dbraw/zinc/15/37/44/804153744.db2.gz HJTILXRUYUYVEB-UHFFFAOYSA-N 2 1 285.435 3.094 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3C[NH2+]CC34CC4)C2)cc1 ZINC001246132097 804157784 /nfs/dbraw/zinc/15/77/84/804157784.db2.gz KWOYSQIAWBDAKO-ZACQAIPSSA-N 2 1 270.420 3.054 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C[NH2+]1 ZINC001246156981 804172465 /nfs/dbraw/zinc/17/24/65/804172465.db2.gz FAWVFZLRZOLIQQ-CMPLNLGQSA-N 2 1 287.234 3.266 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160479 804177169 /nfs/dbraw/zinc/17/71/69/804177169.db2.gz NBMHWAKAVDZNOB-XMTFNYHQSA-N 2 1 296.499 3.482 20 0 CGADMP CC[C@H]1CC([NH2+]CCC[NH+]2CCC(C)CC2)C[C@H](CC)[NH2+]1 ZINC001246161299 804177885 /nfs/dbraw/zinc/17/78/85/804177885.db2.gz IXGIRTOJHXSVMK-IRXDYDNUSA-N 3 1 295.515 3.007 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246189497 804199525 /nfs/dbraw/zinc/19/95/25/804199525.db2.gz MZQDOSSFKKHKSS-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246189503 804200090 /nfs/dbraw/zinc/20/00/90/804200090.db2.gz NASSTUXKLDXSDX-IAQYHMDHSA-N 2 1 284.806 3.142 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@]2(C)CCC[NH2+]C2)cc1 ZINC001246191662 804200867 /nfs/dbraw/zinc/20/08/67/804200867.db2.gz WWEAKESLSSFXKV-RDJZCZTQSA-N 2 1 260.425 3.048 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206335 804207380 /nfs/dbraw/zinc/20/73/80/804207380.db2.gz FOJFCEICKQDZLQ-CABCVRRESA-N 2 1 298.471 3.160 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246215474 804212127 /nfs/dbraw/zinc/21/21/27/804212127.db2.gz YKRFBWHJPFSGJW-DLBZAZTESA-N 3 1 283.504 3.009 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246218733 804213693 /nfs/dbraw/zinc/21/36/93/804213693.db2.gz CRXDOIYUWWMOOW-BFHYXJOUSA-N 2 1 276.415 3.426 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)C[C@@H]1C ZINC001246222851 804217897 /nfs/dbraw/zinc/21/78/97/804217897.db2.gz SIBWCEWSGDXXJS-ZOBORPQBSA-N 2 1 274.399 3.036 20 0 CGADMP CCCCCC[C@@H](CCCC)[NH2+]C[C@@H]([NH3+])COC ZINC001246242595 804233908 /nfs/dbraw/zinc/23/39/08/804233908.db2.gz ZOVANEZPSWFISO-HUUCEWRRSA-N 2 1 258.450 3.079 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CC[NH2+]1 ZINC001246245617 804234656 /nfs/dbraw/zinc/23/46/56/804234656.db2.gz RYROJZMWXJEAOP-ZBFHGGJFSA-N 2 1 272.392 3.299 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C(C)C)C2)c(F)c1 ZINC001246260866 804243026 /nfs/dbraw/zinc/24/30/26/804243026.db2.gz BPTWPYGAKLKQPM-OGHNNQOOSA-N 2 1 294.414 3.262 20 0 CGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C[Si](C)(C)C)CC[NH2+]1 ZINC001246267808 804247250 /nfs/dbraw/zinc/24/72/50/804247250.db2.gz MXOODYNQQFNRQV-GDBMZVCRSA-N 2 1 294.490 3.394 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246279367 804255085 /nfs/dbraw/zinc/25/50/85/804255085.db2.gz MVNXTRHHYKRUCL-HUUCEWRRSA-N 2 1 282.378 3.320 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246288382 804260733 /nfs/dbraw/zinc/26/07/33/804260733.db2.gz QFTZVTYMUVHYHN-LBPRGKRZSA-N 2 1 266.816 3.132 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]C2(C[NH3+])CCCC2)cc1 ZINC001246285689 804260748 /nfs/dbraw/zinc/26/07/48/804260748.db2.gz JLTQUASWGJLCAS-HNNXBMFYSA-N 2 1 260.425 3.177 20 0 CGADMP COc1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC001246319058 804278731 /nfs/dbraw/zinc/27/87/31/804278731.db2.gz CFWAEQWYXZEQPJ-IBGZPJMESA-N 2 1 296.414 3.126 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246320577 804279502 /nfs/dbraw/zinc/27/95/02/804279502.db2.gz YRQDGZJDKPPONZ-JQWIXIFHSA-N 2 1 272.845 3.148 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CNCCC1(C)C ZINC001246323896 804280677 /nfs/dbraw/zinc/28/06/77/804280677.db2.gz CWFVHSBPTYRPMD-IAQYHMDHSA-N 2 1 298.833 3.388 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246323896 804280681 /nfs/dbraw/zinc/28/06/81/804280681.db2.gz CWFVHSBPTYRPMD-IAQYHMDHSA-N 2 1 298.833 3.388 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CCC2(C)C)cc1 ZINC001246325449 804282767 /nfs/dbraw/zinc/28/27/67/804282767.db2.gz KLNVXTJUJWOPPA-YOEHRIQHSA-N 2 1 274.452 3.158 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246327931 804283676 /nfs/dbraw/zinc/28/36/76/804283676.db2.gz VGANSJSPKUHJGM-UBDQQSCGSA-N 2 1 272.436 3.443 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246327286 804284424 /nfs/dbraw/zinc/28/44/24/804284424.db2.gz SMWALYZWBSEJDG-NJAFHUGGSA-N 2 1 274.452 3.374 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)c(F)c1F ZINC001246352673 804299653 /nfs/dbraw/zinc/29/96/53/804299653.db2.gz UCEBPHAHOGMJMV-SRVKXCTJSA-N 2 1 282.378 3.453 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC001246351005 804300255 /nfs/dbraw/zinc/30/02/55/804300255.db2.gz SXVVKLZCSCOESE-NNPSNHGLSA-N 2 1 270.420 3.195 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)C[NH2+]1 ZINC001246394667 804319480 /nfs/dbraw/zinc/31/94/80/804319480.db2.gz SVROYXIRZIHSQR-BBRMVZONSA-N 2 1 276.399 3.021 20 0 CGADMP Clc1cncc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC001246400219 804322095 /nfs/dbraw/zinc/32/20/95/804322095.db2.gz NLOLXSZGHOREOP-QXULXFAOSA-N 2 1 291.826 3.059 20 0 CGADMP Clc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)nc1 ZINC001246459903 804340152 /nfs/dbraw/zinc/34/01/52/804340152.db2.gz TULKUBIFTQOKKY-LBEMJPCMSA-N 2 1 291.826 3.059 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cc(F)cc(F)c1 ZINC001246460731 804342119 /nfs/dbraw/zinc/34/21/19/804342119.db2.gz HXQLMBWLSMNJIL-COLVAYQJSA-N 2 1 268.351 3.146 20 0 CGADMP CCCC[C@@H](CC)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246484321 804355768 /nfs/dbraw/zinc/35/57/68/804355768.db2.gz WWTVEILWROLOIC-CHWSQXEVSA-N 2 1 262.388 3.180 20 0 CGADMP C[C@H]1CC([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)C[C@H](C)C1 ZINC001246488385 804357954 /nfs/dbraw/zinc/35/79/54/804357954.db2.gz NJGATFKWWJRYAY-UPJWGTAASA-N 2 1 274.399 3.036 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001246493506 804359334 /nfs/dbraw/zinc/35/93/34/804359334.db2.gz BWWMDPLWSQTRLJ-INIZCTEOSA-N 3 1 285.520 3.384 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC[NH2+]1 ZINC001246493883 804359465 /nfs/dbraw/zinc/35/94/65/804359465.db2.gz AYWJLHHBAIUYHS-RCCFBDPRSA-N 2 1 295.515 3.138 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246522246 804376053 /nfs/dbraw/zinc/37/60/53/804376053.db2.gz JAMIYBRJKSWIAG-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246521152 804376521 /nfs/dbraw/zinc/37/65/21/804376521.db2.gz WRABIGQTPCEQFA-LSDHHAIUSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246524446 804378298 /nfs/dbraw/zinc/37/82/98/804378298.db2.gz QVTZNLOCBHHWQN-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246529712 804382353 /nfs/dbraw/zinc/38/23/53/804382353.db2.gz UHBNQCGTOIVDJZ-DLBZAZTESA-N 2 1 276.399 3.180 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001246537615 804385602 /nfs/dbraw/zinc/38/56/02/804385602.db2.gz LEDZAQLMKOXIJO-UHFFFAOYSA-N 2 1 278.827 3.229 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001246539238 804388192 /nfs/dbraw/zinc/38/81/92/804388192.db2.gz FWAAYGOKGQALIE-RDJZCZTQSA-N 2 1 260.425 3.129 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001246540060 804389561 /nfs/dbraw/zinc/38/95/61/804389561.db2.gz UTRIAERIDDLGMO-KKUMJFAQSA-N 2 1 278.465 3.287 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001246540060 804389569 /nfs/dbraw/zinc/38/95/69/804389569.db2.gz UTRIAERIDDLGMO-KKUMJFAQSA-N 2 1 278.465 3.287 20 0 CGADMP Cc1cccc([C@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246542088 804391264 /nfs/dbraw/zinc/39/12/64/804391264.db2.gz VHQBIQMQJKFVPX-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246542088 804391270 /nfs/dbraw/zinc/39/12/70/804391270.db2.gz VHQBIQMQJKFVPX-IAGOWNOFSA-N 2 1 258.409 3.274 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246546382 804394692 /nfs/dbraw/zinc/39/46/92/804394692.db2.gz CRTXXJNZTDCJKN-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246546820 804395581 /nfs/dbraw/zinc/39/55/81/804395581.db2.gz AOYUVVOCAHXCNV-XJKSGUPXSA-N 2 1 280.843 3.474 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246548156 804398246 /nfs/dbraw/zinc/39/82/46/804398246.db2.gz JHUSZCXZWZTABC-UYSNPLJNSA-N 2 1 270.436 3.498 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552399 804401941 /nfs/dbraw/zinc/40/19/41/804401941.db2.gz OGHCSVNBQHVOAE-CZUORRHYSA-N 2 1 280.843 3.474 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555463 804404326 /nfs/dbraw/zinc/40/43/26/804404326.db2.gz GTFLQKPCVFFXRZ-OLZOCXBDSA-N 2 1 260.372 3.037 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC(C)(C)C1 ZINC001246555626 804406779 /nfs/dbraw/zinc/40/67/79/804406779.db2.gz XUJGEUTVPRKIEK-IJEWVQPXSA-N 2 1 252.446 3.405 20 0 CGADMP C[N@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246558855 804408434 /nfs/dbraw/zinc/40/84/34/804408434.db2.gz ABRIFYNPCWXRQX-HOTGVXAUSA-N 2 1 278.415 3.424 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246558855 804408439 /nfs/dbraw/zinc/40/84/39/804408439.db2.gz ABRIFYNPCWXRQX-HOTGVXAUSA-N 2 1 278.415 3.424 20 0 CGADMP Fc1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246559605 804408853 /nfs/dbraw/zinc/40/88/53/804408853.db2.gz DLSWTFLODXFCRN-FCLJQHQZSA-N 2 1 274.383 3.246 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246560746 804410266 /nfs/dbraw/zinc/41/02/66/804410266.db2.gz SUUAUOWCMHKRQE-QGZVFWFLSA-N 2 1 260.425 3.287 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246560746 804410271 /nfs/dbraw/zinc/41/02/71/804410271.db2.gz SUUAUOWCMHKRQE-QGZVFWFLSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246563763 804412429 /nfs/dbraw/zinc/41/24/29/804412429.db2.gz LTECQEWKQGDRFU-HZSPNIEDSA-N 2 1 296.455 3.366 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC1 ZINC001246564295 804413057 /nfs/dbraw/zinc/41/30/57/804413057.db2.gz MKOVSKCGEOIKMR-CIDNJEQPSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C[C@@H]1C ZINC001246563981 804413403 /nfs/dbraw/zinc/41/34/03/804413403.db2.gz YJZFOOMWDMMDPT-CWVYHPPDSA-N 2 1 252.446 3.118 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@](F)(C[NH3+])CC1)CC2 ZINC001246564709 804414292 /nfs/dbraw/zinc/41/42/92/804414292.db2.gz ZQHUSFSFROBCQI-ZWKOTPCHSA-N 2 1 290.426 3.005 20 0 CGADMP C1[C@@H]2CCCC[C@@H]2C[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246569442 804416970 /nfs/dbraw/zinc/41/69/70/804416970.db2.gz DGGDAZXKAWSKLJ-IYBDPMFKSA-N 2 1 276.468 3.421 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CSc3ccccc3C2)CCC[C@@H]1C[NH3+] ZINC001246569075 804417387 /nfs/dbraw/zinc/41/73/87/804417387.db2.gz PTFPGZYVCSIBBF-FVQBIDKESA-N 2 1 290.476 3.010 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246571974 804418986 /nfs/dbraw/zinc/41/89/86/804418986.db2.gz CQAQSADNQVCNHF-QZTJIDSGSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1)C2 ZINC001246571548 804419439 /nfs/dbraw/zinc/41/94/39/804419439.db2.gz WEPMTSMJGMSAMV-SZMVWBNQSA-N 2 1 286.463 3.159 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@](C)(C[NH3+])CC1)C2 ZINC001246573954 804420499 /nfs/dbraw/zinc/42/04/99/804420499.db2.gz GZXZCBZOMRPTHH-HKUYNNGSSA-N 2 1 286.463 3.303 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001246581623 804425834 /nfs/dbraw/zinc/42/58/34/804425834.db2.gz ZLSPZFGXYWXGCX-SJLPKXTDSA-N 2 1 274.452 3.377 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246584278 804428220 /nfs/dbraw/zinc/42/82/20/804428220.db2.gz IXVJIJUMIAAUJC-KCPJHIHWSA-N 2 1 284.806 3.032 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246584278 804428222 /nfs/dbraw/zinc/42/82/22/804428222.db2.gz IXVJIJUMIAAUJC-KCPJHIHWSA-N 2 1 284.806 3.032 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001246585637 804430555 /nfs/dbraw/zinc/43/05/55/804430555.db2.gz YNNRSMMRBDYLKA-FUHWJXTLSA-N 2 1 274.452 3.377 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246588822 804430938 /nfs/dbraw/zinc/43/09/38/804430938.db2.gz CPTWEGAJOMNJPB-YJBOKZPZSA-N 2 1 290.426 3.134 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)C[C@H]1C ZINC001246588673 804432261 /nfs/dbraw/zinc/43/22/61/804432261.db2.gz CAWKGXWKOZLUDI-LVQVYYBASA-N 2 1 252.446 3.262 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1(C)C ZINC001246595124 804437376 /nfs/dbraw/zinc/43/73/76/804437376.db2.gz RJIKQOLVGPLVJY-GOSISDBHSA-N 3 1 295.515 3.089 20 0 CGADMP C[NH+]1C(C)(C)CC(N2CCCC[C@](C)(C[NH3+])C2)CC1(C)C ZINC001246595124 804437378 /nfs/dbraw/zinc/43/73/78/804437378.db2.gz RJIKQOLVGPLVJY-GOSISDBHSA-N 2 1 295.515 3.089 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C[C@@H]1C ZINC001246608200 804442734 /nfs/dbraw/zinc/44/27/34/804442734.db2.gz IIFIPXMABORXHV-FXUDXRNXSA-N 2 1 250.430 3.029 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246607471 804443605 /nfs/dbraw/zinc/44/36/05/804443605.db2.gz DXDNYHRUEZCODI-GPANFISMSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246608057 804443688 /nfs/dbraw/zinc/44/36/88/804443688.db2.gz VRAJMTUVJDRSFT-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246614725 804449260 /nfs/dbraw/zinc/44/92/60/804449260.db2.gz ULHWRYVZPWVKQP-MAUKXSAKSA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246614725 804449263 /nfs/dbraw/zinc/44/92/63/804449263.db2.gz ULHWRYVZPWVKQP-MAUKXSAKSA-N 2 1 272.436 3.008 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246615615 804450337 /nfs/dbraw/zinc/45/03/37/804450337.db2.gz CVWVRWLBOJCEEB-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246615615 804450341 /nfs/dbraw/zinc/45/03/41/804450341.db2.gz CVWVRWLBOJCEEB-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246623661 804455038 /nfs/dbraw/zinc/45/50/38/804455038.db2.gz BGMVRDREMAIDCI-YOEHRIQHSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246623661 804455042 /nfs/dbraw/zinc/45/50/42/804455042.db2.gz BGMVRDREMAIDCI-YOEHRIQHSA-N 2 1 292.854 3.347 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)C1 ZINC001246623465 804456058 /nfs/dbraw/zinc/45/60/58/804456058.db2.gz TXNCGBLCRCESDW-HOCLYGCPSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC(C)(C)C1 ZINC001246624167 804456771 /nfs/dbraw/zinc/45/67/71/804456771.db2.gz CLVKXSJIUVOWQS-BFYDXBDKSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]1CC([NH+]2CCC3(CCC[NH2+]3)CC2)C[C@H](C)C1 ZINC001246625304 804456780 /nfs/dbraw/zinc/45/67/80/804456780.db2.gz PTEWBOUDHAPEFW-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246628236 804459195 /nfs/dbraw/zinc/45/91/95/804459195.db2.gz KPWVYCBDSUVIOV-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CC2 ZINC001246634454 804463909 /nfs/dbraw/zinc/46/39/09/804463909.db2.gz NTRHWQFOEPNZDV-PMACEKPBSA-N 2 1 298.474 3.460 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246637174 804465307 /nfs/dbraw/zinc/46/53/07/804465307.db2.gz OWJATJMKHKEUKX-FGTMMUONSA-N 2 1 270.420 3.151 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@]4(CC[NH2+]4)C3)C2)cc1 ZINC001246637174 804465312 /nfs/dbraw/zinc/46/53/12/804465312.db2.gz OWJATJMKHKEUKX-FGTMMUONSA-N 2 1 270.420 3.151 20 0 CGADMP C1C[C@@H]2[C@@H](CC[N@H+]2C2CCC3(CCCCC3)CC2)[NH2+]1 ZINC001246636232 804465588 /nfs/dbraw/zinc/46/55/88/804465588.db2.gz FQXAXEIHAOCVEK-HZPDHXFCSA-N 2 1 262.441 3.316 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246638228 804466233 /nfs/dbraw/zinc/46/62/33/804466233.db2.gz JOBFBAHHSDQHGO-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(CC2CCC([N@@H+]3CC[C@@]4(CC[NH2+]4)C3)CC2)cc1 ZINC001246636091 804466389 /nfs/dbraw/zinc/46/63/89/804466389.db2.gz MJIAJRSGIVGPPQ-ACBHZAAOSA-N 2 1 284.447 3.226 20 0 CGADMP c1ccc(CC2CCC([N@H+]3CC[C@@]4(CC[NH2+]4)C3)CC2)cc1 ZINC001246636091 804466395 /nfs/dbraw/zinc/46/63/95/804466395.db2.gz MJIAJRSGIVGPPQ-ACBHZAAOSA-N 2 1 284.447 3.226 20 0 CGADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)CC(C)(C)C1 ZINC001246646402 804473850 /nfs/dbraw/zinc/47/38/50/804473850.db2.gz DTWGHHGUHWGWKT-UONOGXRCSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@@H](CC)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246647432 804475835 /nfs/dbraw/zinc/47/58/35/804475835.db2.gz SCBZKNYCFUDVPW-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@]34CCC[NH2+]C4)C[C@@H]21 ZINC001246653091 804478873 /nfs/dbraw/zinc/47/88/73/804478873.db2.gz QXUWEEGCWXAPQB-PNBKFKSVSA-N 2 1 262.441 3.029 20 0 CGADMP CCCC[C@@H](CC(C)C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246651092 804479060 /nfs/dbraw/zinc/47/90/60/804479060.db2.gz WONJQIJQWYBMMS-HNNXBMFYSA-N 2 1 252.446 3.419 20 0 CGADMP C1C[C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C[C@@H]2C1 ZINC001246654665 804480466 /nfs/dbraw/zinc/48/04/66/804480466.db2.gz IHGJFIWMMUMUEC-TWMKSMIVSA-N 2 1 262.441 3.031 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246657734 804482219 /nfs/dbraw/zinc/48/22/19/804482219.db2.gz IALRQPQCXFVYMM-FFSVYQOJSA-N 2 1 296.817 3.094 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246657734 804482220 /nfs/dbraw/zinc/48/22/20/804482220.db2.gz IALRQPQCXFVYMM-FFSVYQOJSA-N 2 1 296.817 3.094 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246660848 804483364 /nfs/dbraw/zinc/48/33/64/804483364.db2.gz PHPJQYUFXAXLRR-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246660848 804483365 /nfs/dbraw/zinc/48/33/65/804483365.db2.gz PHPJQYUFXAXLRR-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246659263 804483530 /nfs/dbraw/zinc/48/35/30/804483530.db2.gz WQBPAYNDYHBCIF-VIQHNZTISA-N 2 1 264.457 3.418 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246659263 804483535 /nfs/dbraw/zinc/48/35/35/804483535.db2.gz WQBPAYNDYHBCIF-VIQHNZTISA-N 2 1 264.457 3.418 20 0 CGADMP C1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246660363 804483931 /nfs/dbraw/zinc/48/39/31/804483931.db2.gz SOSSDCXMBSKEAG-ZSHCYNCHSA-N 2 1 262.441 3.316 20 0 CGADMP CC[N@@H+](C)C1CCN(Cc2cccc3ccncc32)CC1 ZINC001140648943 804484534 /nfs/dbraw/zinc/48/45/34/804484534.db2.gz SOYNIVYEQZWEKN-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140648943 804484536 /nfs/dbraw/zinc/48/45/36/804484536.db2.gz SOYNIVYEQZWEKN-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140648943 804484538 /nfs/dbraw/zinc/48/45/38/804484538.db2.gz SOYNIVYEQZWEKN-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+](C)CCC[NH3+] ZINC001246678016 804493405 /nfs/dbraw/zinc/49/34/05/804493405.db2.gz CSRMMOLRWOILQS-GFCCVEGCSA-N 2 1 299.256 3.051 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246682009 804494737 /nfs/dbraw/zinc/49/47/37/804494737.db2.gz AWPPVGJHQKGCEF-KBAYOESNSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246681001 804494772 /nfs/dbraw/zinc/49/47/72/804494772.db2.gz YZQFRURMCDFPSJ-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246680049 804494780 /nfs/dbraw/zinc/49/47/80/804494780.db2.gz GLHPEIPZLLNGDX-HUUCEWRRSA-N 2 1 254.462 3.379 20 0 CGADMP CC[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246690016 804497685 /nfs/dbraw/zinc/49/76/85/804497685.db2.gz RWTRJSQKWJVOME-XIRDDKMYSA-N 2 1 260.425 3.080 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CC[NH2+]1 ZINC001246759498 804500607 /nfs/dbraw/zinc/50/06/07/804500607.db2.gz MGPPJFCBAIXPPR-DFBDCSAJSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246792440 804514833 /nfs/dbraw/zinc/51/48/33/804514833.db2.gz WATYCRATWGEXOZ-QRNKSROTSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)C1CCC(C(C)C)CC1 ZINC001246795201 804517645 /nfs/dbraw/zinc/51/76/45/804517645.db2.gz CTWICAVGSHKJMW-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246793759 804518066 /nfs/dbraw/zinc/51/80/66/804518066.db2.gz DKXNOHDIAKDSGH-CABCVRRESA-N 2 1 266.816 3.302 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246794118 804518214 /nfs/dbraw/zinc/51/82/14/804518214.db2.gz ZAVKTAWEFYJFNM-GOEBONIOSA-N 2 1 288.435 3.363 20 0 CGADMP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246797372 804518858 /nfs/dbraw/zinc/51/88/58/804518858.db2.gz OJECKDKDDJNZKA-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001246796825 804519129 /nfs/dbraw/zinc/51/91/29/804519129.db2.gz MMQXFJNEUMNFJY-MRXNPFEDSA-N 2 1 290.426 3.005 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246796366 804519516 /nfs/dbraw/zinc/51/95/16/804519516.db2.gz KUGIBWRYCRDSIJ-ZDUSSCGKSA-N 2 1 280.843 3.345 20 0 CGADMP c1[nH]c2ccncc2c1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140800946 804520662 /nfs/dbraw/zinc/52/06/62/804520662.db2.gz BQXWZTWSBBVLLV-QWHCGFSZSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2ccncc2c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140800946 804520665 /nfs/dbraw/zinc/52/06/65/804520665.db2.gz BQXWZTWSBBVLLV-QWHCGFSZSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140800946 804520669 /nfs/dbraw/zinc/52/06/69/804520669.db2.gz BQXWZTWSBBVLLV-QWHCGFSZSA-N 2 1 255.365 3.185 20 0 CGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140800946 804520672 /nfs/dbraw/zinc/52/06/72/804520672.db2.gz BQXWZTWSBBVLLV-QWHCGFSZSA-N 2 1 255.365 3.185 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246801095 804521639 /nfs/dbraw/zinc/52/16/39/804521639.db2.gz YVYOQBWIZHPUMQ-MUJYYYPQSA-N 2 1 278.827 3.445 20 0 CGADMP C[C@@H]1CC([N@H+]2CC[C@H](c3ccccc3F)C2)C[C@@H](C)[NH2+]1 ZINC001246801242 804521655 /nfs/dbraw/zinc/52/16/55/804521655.db2.gz GJBQCQHAZCOYJH-MCIONIFRSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1CC([N@H+]2CCC[C@@H]2c2ccccc2F)C[C@@H](C)[NH2+]1 ZINC001246799473 804521876 /nfs/dbraw/zinc/52/18/76/804521876.db2.gz UUBVNUVWMQDILS-PBFPGSCMSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2F)C[C@H](C)[NH2+]1 ZINC001246799475 804521968 /nfs/dbraw/zinc/52/19/68/804521968.db2.gz UUBVNUVWMQDILS-UMPJEAMMSA-N 2 1 276.399 3.492 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)CC[NH2+]1 ZINC001246803396 804523591 /nfs/dbraw/zinc/52/35/91/804523591.db2.gz JTKCXIBDMBQOCE-ZIAGYGMSSA-N 2 1 276.399 3.146 20 0 CGADMP C1CCC2(C1)CC[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246807136 804525536 /nfs/dbraw/zinc/52/55/36/804525536.db2.gz NBPJPRHEAFWCTD-DOTOQJQBSA-N 2 1 262.441 3.175 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@@H](C)C1 ZINC001246809228 804527294 /nfs/dbraw/zinc/52/72/94/804527294.db2.gz GEPNTBKMGQKDFV-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](C)C[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246811841 804528120 /nfs/dbraw/zinc/52/81/20/804528120.db2.gz XTYGRTGBVXUPAP-NPJQDHAYSA-N 2 1 252.446 3.416 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)C[C@@H]2C)CC[NH2+]1 ZINC001246811303 804528710 /nfs/dbraw/zinc/52/87/10/804528710.db2.gz SEJFUKXZQHQHBM-QKPAOTATSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2ccsc2)C[C@H](CC)[NH2+]1 ZINC001246813244 804530329 /nfs/dbraw/zinc/53/03/29/804530329.db2.gz HKWXBYUTLRNGPQ-FICVDOATSA-N 2 1 266.454 3.489 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccsc2)C[C@H](CC)[NH2+]1 ZINC001246813244 804530336 /nfs/dbraw/zinc/53/03/36/804530336.db2.gz HKWXBYUTLRNGPQ-FICVDOATSA-N 2 1 266.454 3.489 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840134 804547497 /nfs/dbraw/zinc/54/74/97/804547497.db2.gz FFXIPCCFCYYSGH-NPJQDHAYSA-N 2 1 252.446 3.260 20 0 CGADMP C1CC2(C1)C[C@H]([N@@H+]1CC[C@H]3CCCC[C@H]3C1)CC[NH2+]2 ZINC001246840298 804548617 /nfs/dbraw/zinc/54/86/17/804548617.db2.gz WHZPEUVRHHCURG-OWCLPIDISA-N 2 1 262.441 3.173 20 0 CGADMP C1CC2(C1)C[C@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)CC[NH2+]2 ZINC001246840298 804548620 /nfs/dbraw/zinc/54/86/20/804548620.db2.gz WHZPEUVRHHCURG-OWCLPIDISA-N 2 1 262.441 3.173 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246842418 804549873 /nfs/dbraw/zinc/54/98/73/804549873.db2.gz RHEVEIMHPJWPGP-RTBURBONSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246840802 804550004 /nfs/dbraw/zinc/55/00/04/804550004.db2.gz KTGDDZQZCLITBG-OLZOCXBDSA-N 2 1 298.833 3.342 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246842321 804550389 /nfs/dbraw/zinc/55/03/89/804550389.db2.gz YLLPSAPPGLNSEF-WMZOPIPTSA-N 2 1 290.451 3.294 20 0 CGADMP C[N@@H+](CC1CCCC1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246842417 804550862 /nfs/dbraw/zinc/55/08/62/804550862.db2.gz RHEVEIMHPJWPGP-RBUKOAKNSA-N 2 1 286.463 3.472 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001246845987 804554913 /nfs/dbraw/zinc/55/49/13/804554913.db2.gz OFWCXKDZZJSMMV-RDJZCZTQSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001246850802 804560231 /nfs/dbraw/zinc/56/02/31/804560231.db2.gz JUVFVVRAVQWDRZ-SMDDNHRTSA-N 2 1 286.341 3.278 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246853605 804563226 /nfs/dbraw/zinc/56/32/26/804563226.db2.gz NCQKATSOIAGJIB-TVFCKZIOSA-N 2 1 270.420 3.136 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001246855168 804563787 /nfs/dbraw/zinc/56/37/87/804563787.db2.gz VGDLRLGQRUWCHT-OCCSQVGLSA-N 2 1 266.816 3.127 20 0 CGADMP c1ccc(C2=CC[N@@H+]([C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC001246858556 804565520 /nfs/dbraw/zinc/56/55/20/804565520.db2.gz KHOURVAHXMCFGL-SFHVURJKSA-N 2 1 282.431 3.450 20 0 CGADMP c1ccc(C2=CC[N@@H+]([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC001246858555 804566265 /nfs/dbraw/zinc/56/62/65/804566265.db2.gz KHOURVAHXMCFGL-GOSISDBHSA-N 2 1 282.431 3.450 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246860542 804566597 /nfs/dbraw/zinc/56/65/97/804566597.db2.gz MUDCEVLZSYLKQT-HNNXBMFYSA-N 2 1 284.447 3.312 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246863778 804567033 /nfs/dbraw/zinc/56/70/33/804567033.db2.gz NDUMLVCSOJBANV-CVEARBPZSA-N 2 1 264.388 3.178 20 0 CGADMP C1C[C@H](C2CCCCC2)[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246865818 804570383 /nfs/dbraw/zinc/57/03/83/804570383.db2.gz SKEZGZZUJREVBI-YYIAUSFCSA-N 2 1 262.441 3.029 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867558 804570484 /nfs/dbraw/zinc/57/04/84/804570484.db2.gz OYEZTMJOKFCJGD-GBESFXJTSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1 ZINC001246870409 804571385 /nfs/dbraw/zinc/57/13/85/804571385.db2.gz AUXOURKWEFCQLL-OWYHZJEWSA-N 2 1 284.447 3.038 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C2)cc1 ZINC001246870672 804572150 /nfs/dbraw/zinc/57/21/50/804572150.db2.gz YWPWSOCCBKIDGT-NQYYFHDYSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@H]1C[N@H+](C2CC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC001246871070 804573686 /nfs/dbraw/zinc/57/36/86/804573686.db2.gz NFIYYIPNYDACSX-LBPRGKRZSA-N 2 1 278.827 3.054 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001246877669 804576812 /nfs/dbraw/zinc/57/68/12/804576812.db2.gz XSZUMFXDJOISGU-LLVKDONJSA-N 2 1 286.341 3.062 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001246877669 804576814 /nfs/dbraw/zinc/57/68/14/804576814.db2.gz XSZUMFXDJOISGU-LLVKDONJSA-N 2 1 286.341 3.062 20 0 CGADMP CCCC(CCC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880093 804576907 /nfs/dbraw/zinc/57/69/07/804576907.db2.gz PVSUYUYWADTPFS-MJGOQNOKSA-N 2 1 286.463 3.428 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246882567 804578153 /nfs/dbraw/zinc/57/81/53/804578153.db2.gz SDUDTTGXFHKUOG-IPYPFGDCSA-N 2 1 296.480 3.349 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246885883 804579145 /nfs/dbraw/zinc/57/91/45/804579145.db2.gz GIBGQWOGOTWYNZ-BZUAXINKSA-N 2 1 252.446 3.418 20 0 CGADMP Clc1cccc([C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)c1 ZINC001246888428 804581705 /nfs/dbraw/zinc/58/17/05/804581705.db2.gz UHDDQCJYVXPDQU-OAHLLOKOSA-N 2 1 264.800 3.229 20 0 CGADMP Clc1cccc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)c1 ZINC001246888428 804581710 /nfs/dbraw/zinc/58/17/10/804581710.db2.gz UHDDQCJYVXPDQU-OAHLLOKOSA-N 2 1 264.800 3.229 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)CCCC[NH3+] ZINC001246890011 804583581 /nfs/dbraw/zinc/58/35/81/804583581.db2.gz HQTPQFILYYVYGN-GFCCVEGCSA-N 2 1 286.872 3.491 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246894875 804585501 /nfs/dbraw/zinc/58/55/01/804585501.db2.gz QQWBSWJCJSOAKF-GOSISDBHSA-N 2 1 280.415 3.414 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246910307 804592848 /nfs/dbraw/zinc/59/28/48/804592848.db2.gz LUQNQVFWMPDESX-LBPRGKRZSA-N 2 1 298.833 3.484 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+](C)CCc2ccccc2F)CC[NH2+]1 ZINC001246909724 804593555 /nfs/dbraw/zinc/59/35/55/804593555.db2.gz HQNOUZQCCNMZRL-WBVHZDCISA-N 2 1 278.415 3.077 20 0 CGADMP CCC[N@@H+](CC(C)C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246911877 804594794 /nfs/dbraw/zinc/59/47/94/804594794.db2.gz PKOXKVWUOZYEOH-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP NC[C@H]1CCC[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246918061 804598504 /nfs/dbraw/zinc/59/85/04/804598504.db2.gz TXRUKGQPJRPDBE-OAHLLOKOSA-N 2 1 250.430 3.303 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246918061 804598508 /nfs/dbraw/zinc/59/85/08/804598508.db2.gz TXRUKGQPJRPDBE-OAHLLOKOSA-N 2 1 250.430 3.303 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246918061 804598516 /nfs/dbraw/zinc/59/85/16/804598516.db2.gz TXRUKGQPJRPDBE-OAHLLOKOSA-N 2 1 250.430 3.303 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246918409 804598919 /nfs/dbraw/zinc/59/89/19/804598919.db2.gz FDWKABILFMIWMB-WCXIOVBPSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC001246918409 804598923 /nfs/dbraw/zinc/59/89/23/804598923.db2.gz FDWKABILFMIWMB-WCXIOVBPSA-N 2 1 264.457 3.275 20 0 CGADMP CCCCCC[C@@H](C)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927150 804604116 /nfs/dbraw/zinc/60/41/16/804604116.db2.gz GKQNJFHEQFEXNM-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCCC[C@@H](C)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927150 804604120 /nfs/dbraw/zinc/60/41/20/804604120.db2.gz GKQNJFHEQFEXNM-CVEARBPZSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246930953 804605026 /nfs/dbraw/zinc/60/50/26/804605026.db2.gz KVZGIXOCBTYQPC-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927645 804605370 /nfs/dbraw/zinc/60/53/70/804605370.db2.gz HTGKLWURSSDHLS-IAGOWNOFSA-N 2 1 284.488 3.436 20 0 CGADMP CCCCCC[C@@H](CC)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927645 804605376 /nfs/dbraw/zinc/60/53/76/804605376.db2.gz HTGKLWURSSDHLS-IAGOWNOFSA-N 2 1 284.488 3.436 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246934346 804606670 /nfs/dbraw/zinc/60/66/70/804606670.db2.gz CHMYBWQUOZQKES-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP Fc1ccccc1C[N@@H+](C1CCCC1)C1CC[NH2+]CC1 ZINC001246931430 804606766 /nfs/dbraw/zinc/60/67/66/804606766.db2.gz BNUXLBATYIIRDX-UHFFFAOYSA-N 2 1 276.399 3.322 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC(C(C)C)CC1 ZINC001246933685 804606828 /nfs/dbraw/zinc/60/68/28/804606828.db2.gz ATHHIWOSSJQJJK-FHERZECASA-N 2 1 252.446 3.133 20 0 CGADMP Nc1cccc2c1CC[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246935915 804609350 /nfs/dbraw/zinc/60/93/50/804609350.db2.gz TVWUGKHYADFQHS-INIZCTEOSA-N 2 1 299.462 3.082 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001246970654 804622886 /nfs/dbraw/zinc/62/28/86/804622886.db2.gz ANIWVZCAQFPRAN-QFBILLFUSA-N 2 1 298.474 3.316 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1C[C@@H](C)C[C@H](C)C1 ZINC001246972287 804623028 /nfs/dbraw/zinc/62/30/28/804623028.db2.gz CRENUZNKSUEFAS-SOUVJXGZSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2c(F)cccc2C1 ZINC001246976487 804623807 /nfs/dbraw/zinc/62/38/07/804623807.db2.gz QRPOCFHSDXKGOK-HOCLYGCPSA-N 2 1 290.426 3.005 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC001246977996 804626095 /nfs/dbraw/zinc/62/60/95/804626095.db2.gz GTQXCROGIQCHIM-QXAKKESOSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001247001182 804634866 /nfs/dbraw/zinc/63/48/66/804634866.db2.gz JPDHYOFFINOHKH-IRXDYDNUSA-N 2 1 292.854 3.258 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC001247004335 804635232 /nfs/dbraw/zinc/63/52/32/804635232.db2.gz OYICGPJAGBBZQH-DLBZAZTESA-N 2 1 290.426 3.363 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC[NH2+]1 ZINC001247002878 804635267 /nfs/dbraw/zinc/63/52/67/804635267.db2.gz LZAKHDNJKNIEOI-YHUYYLMFSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001247002805 804635993 /nfs/dbraw/zinc/63/59/93/804635993.db2.gz LKZUPYRNLDMMJY-LUKYLMHMSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247005160 804637025 /nfs/dbraw/zinc/63/70/25/804637025.db2.gz VBGGZDFYMZQCBO-CJNGLKHVSA-N 2 1 280.843 3.332 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247006259 804637922 /nfs/dbraw/zinc/63/79/22/804637922.db2.gz XMSMJNBPDTWMGW-CZUORRHYSA-N 2 1 280.843 3.332 20 0 CGADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)C2)cc1 ZINC001247012149 804640199 /nfs/dbraw/zinc/64/01/99/804640199.db2.gz CCTFDJPYLQEJAO-YRXWBPOGSA-N 2 1 284.447 3.397 20 0 CGADMP CN(C)c1ccc2[nH]c(CC[NH2+]C3CCCCC3)[nH+]c2c1 ZINC001247011188 804640367 /nfs/dbraw/zinc/64/03/67/804640367.db2.gz NCJNMDXRCPPCEO-UHFFFAOYSA-N 2 1 286.423 3.094 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247015253 804643809 /nfs/dbraw/zinc/64/38/09/804643809.db2.gz NQLWBJCUBVLSMJ-UHOSZYNNSA-N 2 1 286.463 3.390 20 0 CGADMP CCN(Cc1ccc(SC)s1)C1CC[NH+](C)CC1 ZINC001142025834 804688416 /nfs/dbraw/zinc/68/84/16/804688416.db2.gz NZOLJABUJXWUJI-UHFFFAOYSA-N 2 1 284.494 3.386 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256829991 806988582 /nfs/dbraw/zinc/98/85/82/806988582.db2.gz MRBAVUVGSUGBLH-MSOLQXFVSA-N 2 1 290.451 3.180 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2onc(C)c2c1 ZINC001248711806 804974502 /nfs/dbraw/zinc/97/45/02/804974502.db2.gz CRSYXVUWBZUVJT-UHFFFAOYSA-N 2 1 289.423 3.300 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Cl)nc1C ZINC001249020520 805071741 /nfs/dbraw/zinc/07/17/41/805071741.db2.gz WLTNKVOYPMWOAO-UHFFFAOYSA-N 2 1 295.858 3.125 20 0 CGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(C2CC2)cc[nH+]1 ZINC001155025359 805526789 /nfs/dbraw/zinc/52/67/89/805526789.db2.gz NNFXNFRILMIXLT-IUODEOHRSA-N 2 1 259.397 3.007 20 0 CGADMP C[N@@H+](C1CCCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855728 806992543 /nfs/dbraw/zinc/99/25/43/806992543.db2.gz UESDMKAQOZHFMS-UHFFFAOYSA-N 2 1 273.424 3.315 20 0 CGADMP CCC(CC)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001257295706 807089937 /nfs/dbraw/zinc/08/99/37/807089937.db2.gz CZYITBRCMJYFBY-OKILXGFUSA-N 2 1 278.465 3.300 20 0 CGADMP CCC(CC)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001257295706 807089944 /nfs/dbraw/zinc/08/99/44/807089944.db2.gz CZYITBRCMJYFBY-OKILXGFUSA-N 2 1 278.465 3.300 20 0 CGADMP CCC(CC)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001257295706 807089951 /nfs/dbraw/zinc/08/99/51/807089951.db2.gz CZYITBRCMJYFBY-OKILXGFUSA-N 2 1 278.465 3.300 20 0 CGADMP CCC(CC)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001257295706 807089957 /nfs/dbraw/zinc/08/99/57/807089957.db2.gz CZYITBRCMJYFBY-OKILXGFUSA-N 2 1 278.465 3.300 20 0 CGADMP CCC(CC)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001257301337 807095143 /nfs/dbraw/zinc/09/51/43/807095143.db2.gz BMWNDOZWXCQRLR-UHFFFAOYSA-N 2 1 261.413 3.137 20 0 CGADMP CCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001257318057 807105043 /nfs/dbraw/zinc/10/50/43/807105043.db2.gz ZXKPAPPWBJJHOI-KFWWJZLASA-N 2 1 278.465 3.300 20 0 CGADMP CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001257318057 807105046 /nfs/dbraw/zinc/10/50/46/807105046.db2.gz ZXKPAPPWBJJHOI-KFWWJZLASA-N 2 1 278.465 3.300 20 0 CGADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001257318057 807105049 /nfs/dbraw/zinc/10/50/49/807105049.db2.gz ZXKPAPPWBJJHOI-KFWWJZLASA-N 2 1 278.465 3.300 20 0 CGADMP CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001257318057 807105051 /nfs/dbraw/zinc/10/50/51/807105051.db2.gz ZXKPAPPWBJJHOI-KFWWJZLASA-N 2 1 278.465 3.300 20 0 CGADMP CCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257321968 807106996 /nfs/dbraw/zinc/10/69/96/807106996.db2.gz PBJZULQVJBUMDX-HUUCEWRRSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257321968 807106998 /nfs/dbraw/zinc/10/69/98/807106998.db2.gz PBJZULQVJBUMDX-HUUCEWRRSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001257321968 807107002 /nfs/dbraw/zinc/10/70/02/807107002.db2.gz PBJZULQVJBUMDX-HUUCEWRRSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001257321968 807107006 /nfs/dbraw/zinc/10/70/06/807107006.db2.gz PBJZULQVJBUMDX-HUUCEWRRSA-N 2 1 292.471 3.289 20 0 CGADMP CCC[C@@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001257326929 807109923 /nfs/dbraw/zinc/10/99/23/807109923.db2.gz FDWMGEMXZDTYLR-CQSZACIVSA-N 2 1 261.413 3.137 20 0 CGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCCC4)CC[C@@H]3C2)cc1 ZINC001257355546 807119852 /nfs/dbraw/zinc/11/98/52/807119852.db2.gz ZSBXUCKKQIGTIS-QZTJIDSGSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCCC4)CC[C@@H]3C2)cc1 ZINC001257355546 807119855 /nfs/dbraw/zinc/11/98/55/807119855.db2.gz ZSBXUCKKQIGTIS-QZTJIDSGSA-N 2 1 284.447 3.383 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCCC4)CC[C@@H]3C2)cc1 ZINC001257355546 807119858 /nfs/dbraw/zinc/11/98/58/807119858.db2.gz ZSBXUCKKQIGTIS-QZTJIDSGSA-N 2 1 284.447 3.383 20 0 CGADMP [NH3+]Cc1cnc2c(ccn2-c2cccc(C3=[NH+]CCC3)c2)c1 ZINC001167316172 807180739 /nfs/dbraw/zinc/18/07/39/807180739.db2.gz ICTABZGRGMTXLV-UHFFFAOYSA-N 2 1 290.370 3.067 20 0 CGADMP C[C@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001167510050 807201409 /nfs/dbraw/zinc/20/14/09/807201409.db2.gz SXIZTSSWCWQAHX-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C(C)(C)C ZINC001167510050 807201401 /nfs/dbraw/zinc/20/14/01/807201401.db2.gz SXIZTSSWCWQAHX-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001167510050 807201405 /nfs/dbraw/zinc/20/14/05/807201405.db2.gz SXIZTSSWCWQAHX-HUUCEWRRSA-N 2 1 254.462 3.475 20 0 CGADMP CN1CCC([N@@H+](C2CCCC2)[C@@H]2CCCSC2)CC1 ZINC001257681878 807213548 /nfs/dbraw/zinc/21/35/48/807213548.db2.gz CQHKYAFVUNZCOW-MRXNPFEDSA-N 2 1 282.497 3.221 20 0 CGADMP Cc1[nH+]ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c1F ZINC001167627037 807219130 /nfs/dbraw/zinc/21/91/30/807219130.db2.gz ZKIKRYIJVZVHSR-UHFFFAOYSA-N 2 1 265.376 3.014 20 0 CGADMP [NH3+]Cc1nn(-c2cccc(C3=[NH+]CCC3)c2)c2ccccc12 ZINC001167699795 807228877 /nfs/dbraw/zinc/22/88/77/807228877.db2.gz AKSWSTSPIDNYQI-UHFFFAOYSA-N 2 1 290.370 3.067 20 0 CGADMP CCCC[NH+](CCCC)CCNc1ccc(NC)[nH+]c1 ZINC001167732921 807235669 /nfs/dbraw/zinc/23/56/69/807235669.db2.gz IGSHANCUBJNLMO-UHFFFAOYSA-N 2 1 278.444 3.437 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC(c2ccccc2)CC1 ZINC001257994488 807259893 /nfs/dbraw/zinc/25/98/93/807259893.db2.gz NHAFELZBWFVHLS-ODIFPOPNSA-N 2 1 260.425 3.239 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCCCCO)C(C)C ZINC001167842430 807261353 /nfs/dbraw/zinc/26/13/53/807261353.db2.gz XEGQDCKQKPDZAZ-KRWDZBQOSA-N 2 1 286.504 3.370 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC001258016278 807266228 /nfs/dbraw/zinc/26/62/28/807266228.db2.gz FWKIUBLJJIVBIM-CABCVRRESA-N 2 1 252.446 3.227 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC001258017186 807266463 /nfs/dbraw/zinc/26/64/63/807266463.db2.gz VKQCLZRLHLYYJJ-UHFFFAOYSA-N 2 1 274.399 3.084 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001258012418 807267117 /nfs/dbraw/zinc/26/71/17/807267117.db2.gz WNMDVJRUTYAACN-MRXNPFEDSA-N 2 1 270.436 3.321 20 0 CGADMP [NH2+]=C(Nc1ccc(-c2cccs2)cc1)SCC[NH3+] ZINC001167911890 807272174 /nfs/dbraw/zinc/27/21/74/807272174.db2.gz GLLZJHCCGAQATF-UHFFFAOYSA-N 2 1 277.418 3.454 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167952809 807282518 /nfs/dbraw/zinc/28/25/18/807282518.db2.gz QOFXEUBEMCBIDI-BQJWPVKWSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167952809 807282521 /nfs/dbraw/zinc/28/25/21/807282521.db2.gz QOFXEUBEMCBIDI-BQJWPVKWSA-N 2 1 262.441 3.124 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167952809 807282524 /nfs/dbraw/zinc/28/25/24/807282524.db2.gz QOFXEUBEMCBIDI-BQJWPVKWSA-N 2 1 262.441 3.124 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258068235 807288262 /nfs/dbraw/zinc/28/82/62/807288262.db2.gz VMSCBKCRQUJJOI-HOTGVXAUSA-N 2 1 284.488 3.148 20 0 CGADMP C[NH2+]Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167994392 807292828 /nfs/dbraw/zinc/29/28/28/807292828.db2.gz CGDUICFXFBKMNQ-YQQQUEKLSA-N 2 1 299.462 3.223 20 0 CGADMP C[N@@H+](C[C@@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994537 807295268 /nfs/dbraw/zinc/29/52/68/807295268.db2.gz IACKLEMWTLZYSL-PMRDEQMMSA-N 2 1 276.468 3.370 20 0 CGADMP C[NH+](C[C@@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994537 807295272 /nfs/dbraw/zinc/29/52/72/807295272.db2.gz IACKLEMWTLZYSL-PMRDEQMMSA-N 2 1 276.468 3.370 20 0 CGADMP C[NH+](C[C@@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994537 807295278 /nfs/dbraw/zinc/29/52/78/807295278.db2.gz IACKLEMWTLZYSL-PMRDEQMMSA-N 2 1 276.468 3.370 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168045374 807302562 /nfs/dbraw/zinc/30/25/62/807302562.db2.gz JEHONGNDRMEOTP-WWVGMYRHSA-N 2 1 284.447 3.380 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045374 807302568 /nfs/dbraw/zinc/30/25/68/807302568.db2.gz JEHONGNDRMEOTP-WWVGMYRHSA-N 2 1 284.447 3.380 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045374 807302574 /nfs/dbraw/zinc/30/25/74/807302574.db2.gz JEHONGNDRMEOTP-WWVGMYRHSA-N 2 1 284.447 3.380 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168101386 807311557 /nfs/dbraw/zinc/31/15/57/807311557.db2.gz LEQKQNSLSSOYNO-DDBAPUKQSA-N 2 1 294.483 3.316 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC34CCC4)CC2)cc1 ZINC001258137148 807319652 /nfs/dbraw/zinc/31/96/52/807319652.db2.gz BSRXIODZBUSGSN-GOSISDBHSA-N 2 1 284.447 3.226 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC001258135279 807320219 /nfs/dbraw/zinc/32/02/19/807320219.db2.gz YANHSFQPAMJJSQ-NLWGTHIKSA-N 2 1 298.474 3.472 20 0 CGADMP C[C@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)C1 ZINC001258159529 807329024 /nfs/dbraw/zinc/32/90/24/807329024.db2.gz ZCJUCOVGDDXDLU-HSMRXVHUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)C1 ZINC001258159529 807329032 /nfs/dbraw/zinc/32/90/32/807329032.db2.gz ZCJUCOVGDDXDLU-HSMRXVHUSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001168182982 807337757 /nfs/dbraw/zinc/33/77/57/807337757.db2.gz MCBAMSMISQSNGP-IMJJTQAJSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001168182982 807337765 /nfs/dbraw/zinc/33/77/65/807337765.db2.gz MCBAMSMISQSNGP-IMJJTQAJSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001168182982 807337773 /nfs/dbraw/zinc/33/77/73/807337773.db2.gz MCBAMSMISQSNGP-IMJJTQAJSA-N 2 1 292.854 3.155 20 0 CGADMP CSCC[C@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001258218852 807371591 /nfs/dbraw/zinc/37/15/91/807371591.db2.gz XGKWLHKVCZFDIV-ZDUSSCGKSA-N 2 1 293.480 3.070 20 0 CGADMP CSCC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001258219839 807371899 /nfs/dbraw/zinc/37/18/99/807371899.db2.gz LIYQNPPVFWZKTF-AWEZNQCLSA-N 2 1 272.502 3.180 20 0 CGADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)Cc2ccccc21 ZINC001168315017 807380376 /nfs/dbraw/zinc/38/03/76/807380376.db2.gz OOVMVLXPMGBHCA-OOHWJJMZSA-N 2 1 272.436 3.479 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001168315099 807380910 /nfs/dbraw/zinc/38/09/10/807380910.db2.gz RSLUQGMTWXDOIX-YMAMQOFZSA-N 2 1 256.409 3.073 20 0 CGADMP c1cncc([C@@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168373868 807396476 /nfs/dbraw/zinc/39/64/76/807396476.db2.gz WERJRFROKCEORW-SFHVURJKSA-N 2 1 285.435 3.093 20 0 CGADMP c1cncc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168373868 807396483 /nfs/dbraw/zinc/39/64/83/807396483.db2.gz WERJRFROKCEORW-SFHVURJKSA-N 2 1 285.435 3.093 20 0 CGADMP c1cc2c(s1)CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168368789 807397295 /nfs/dbraw/zinc/39/72/95/807397295.db2.gz PJVPMEPJALVZSE-OAHLLOKOSA-N 2 1 276.449 3.199 20 0 CGADMP CCCCC[C@H](CC)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001258442111 807453056 /nfs/dbraw/zinc/45/30/56/807453056.db2.gz VTBRSSVILKKPCP-HNNXBMFYSA-N 2 1 295.471 3.475 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258453636 807459156 /nfs/dbraw/zinc/45/91/56/807459156.db2.gz DHXBPCGTOPVNQI-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258453636 807459160 /nfs/dbraw/zinc/45/91/60/807459160.db2.gz DHXBPCGTOPVNQI-PBHICJAKSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258698582 807552366 /nfs/dbraw/zinc/55/23/66/807552366.db2.gz QYCYHCDYZAASLW-GOEBONIOSA-N 2 1 266.473 3.475 20 0 CGADMP CCN(CC)C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)CC(C)(C)C2)CCO1 ZINC001258705919 807559939 /nfs/dbraw/zinc/55/99/39/807559939.db2.gz ZRWQGPHDVSIJKL-BRWVUGGUSA-N 2 1 296.499 3.244 20 0 CGADMP CCN(CC)C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)CC(C)(C)C2)CCO1 ZINC001258705919 807559944 /nfs/dbraw/zinc/55/99/44/807559944.db2.gz ZRWQGPHDVSIJKL-BRWVUGGUSA-N 2 1 296.499 3.244 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C13CC4CC(CC(C4)C1)C3)C2 ZINC001169091409 807570732 /nfs/dbraw/zinc/57/07/32/807570732.db2.gz QKMBXWVYMRTPKC-RGGYGIFFSA-N 2 1 274.452 3.170 20 0 CGADMP CCCC[C@@H](CC)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099433 807576461 /nfs/dbraw/zinc/57/64/61/807576461.db2.gz RNRPOTBGWBRQDZ-LVQVYYBASA-N 2 1 252.446 3.418 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169108644 807578925 /nfs/dbraw/zinc/57/89/25/807578925.db2.gz UNAPPYMLPMXOQO-MXASKKJJSA-N 2 1 288.435 3.361 20 0 CGADMP COc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169111192 807580787 /nfs/dbraw/zinc/58/07/87/807580787.db2.gz OCJXXHGNHQOSCB-BJWYYQGGSA-N 2 1 288.435 3.027 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3cccc(F)c3)CC1)C2 ZINC001169116648 807581586 /nfs/dbraw/zinc/58/15/86/807581586.db2.gz RNKIOUCNWYOZMN-BJWYYQGGSA-N 2 1 288.410 3.116 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(C)(C)C)CC1)C2 ZINC001169124471 807584719 /nfs/dbraw/zinc/58/47/19/807584719.db2.gz DAJSVLHPJRXEIV-MUJYYYPQSA-N 2 1 264.457 3.370 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001169124815 807585419 /nfs/dbraw/zinc/58/54/19/807585419.db2.gz UGXTYTPDFVTONV-WCXIOVBPSA-N 2 1 290.838 3.022 20 0 CGADMP CCC[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139909 807588462 /nfs/dbraw/zinc/58/84/62/807588462.db2.gz GAHXTAPIMAYXFI-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139909 807588466 /nfs/dbraw/zinc/58/84/66/807588466.db2.gz GAHXTAPIMAYXFI-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139909 807588469 /nfs/dbraw/zinc/58/84/69/807588469.db2.gz GAHXTAPIMAYXFI-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP CCC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139909 807588473 /nfs/dbraw/zinc/58/84/73/807588473.db2.gz GAHXTAPIMAYXFI-LVQVYYBASA-N 2 1 250.430 3.266 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169152899 807594710 /nfs/dbraw/zinc/59/47/10/807594710.db2.gz GGWPAPUCQGDSNU-VSZNYVQBSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169152899 807594714 /nfs/dbraw/zinc/59/47/14/807594714.db2.gz GGWPAPUCQGDSNU-VSZNYVQBSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001169152899 807594717 /nfs/dbraw/zinc/59/47/17/807594717.db2.gz GGWPAPUCQGDSNU-VSZNYVQBSA-N 2 1 285.435 3.152 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC001169152899 807594722 /nfs/dbraw/zinc/59/47/22/807594722.db2.gz GGWPAPUCQGDSNU-VSZNYVQBSA-N 2 1 285.435 3.152 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001258772544 807605517 /nfs/dbraw/zinc/60/55/17/807605517.db2.gz SMSZRZXYZLEDIG-OAHLLOKOSA-N 2 1 256.409 3.075 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001258772544 807605522 /nfs/dbraw/zinc/60/55/22/807605522.db2.gz SMSZRZXYZLEDIG-OAHLLOKOSA-N 2 1 256.409 3.075 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)C2CCCCC2)CC1 ZINC001169238564 807612260 /nfs/dbraw/zinc/61/22/60/807612260.db2.gz IVMVUDLKZCTPPY-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001258811409 807629859 /nfs/dbraw/zinc/62/98/59/807629859.db2.gz YGQNKJNEAYHSLZ-NPJQDHAYSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001258811409 807629861 /nfs/dbraw/zinc/62/98/61/807629861.db2.gz YGQNKJNEAYHSLZ-NPJQDHAYSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001258812502 807630131 /nfs/dbraw/zinc/63/01/31/807630131.db2.gz FMZYHHKMZWZLOX-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001258812502 807630135 /nfs/dbraw/zinc/63/01/35/807630135.db2.gz FMZYHHKMZWZLOX-OIISXLGYSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001258817317 807634348 /nfs/dbraw/zinc/63/43/48/807634348.db2.gz RFLDNGJMRYFKIZ-UGUYLWEFSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1c[nH+]c(NCC[C@H]2CCC[NH2+]2)c2ccccc12 ZINC001169558590 807667444 /nfs/dbraw/zinc/66/74/44/807667444.db2.gz IZVDFZQCSKOZDO-CYBMUJFWSA-N 2 1 255.365 3.097 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001258906781 807670998 /nfs/dbraw/zinc/67/09/98/807670998.db2.gz ABXTUIDIXQOYCN-RBSFLKMASA-N 2 1 258.425 3.177 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001258909467 807671973 /nfs/dbraw/zinc/67/19/73/807671973.db2.gz DZJPGEZVPKUXEY-ZNMIVQPWSA-N 2 1 288.426 3.474 20 0 CGADMP C[C@H]1CC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170119414 807764949 /nfs/dbraw/zinc/76/49/49/807764949.db2.gz AELUDRZIFHZMSZ-UOVPBQLFSA-N 2 1 287.451 3.342 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)C1 ZINC001170141105 807774037 /nfs/dbraw/zinc/77/40/37/807774037.db2.gz YJEOMLYOCUFXPZ-OWCLPIDISA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001170288167 807815273 /nfs/dbraw/zinc/81/52/73/807815273.db2.gz LZRWGHPEZGIGCJ-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001170288167 807815281 /nfs/dbraw/zinc/81/52/81/807815281.db2.gz LZRWGHPEZGIGCJ-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001170288167 807815288 /nfs/dbraw/zinc/81/52/88/807815288.db2.gz LZRWGHPEZGIGCJ-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001170288167 807815296 /nfs/dbraw/zinc/81/52/96/807815296.db2.gz LZRWGHPEZGIGCJ-WMLDXEAASA-N 2 1 292.854 3.299 20 0 CGADMP CCCN(CC[C@H]1CCC[N@H+]1C)CC[NH+]1CCCCCC1 ZINC001170746235 807897607 /nfs/dbraw/zinc/89/76/07/807897607.db2.gz YPSPBNKVKPYDDU-GOSISDBHSA-N 2 1 295.515 3.059 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170895421 807926828 /nfs/dbraw/zinc/92/68/28/807926828.db2.gz DQLPFIPQPMAYHF-CABCVRRESA-N 2 1 292.854 3.271 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171021723 807962375 /nfs/dbraw/zinc/96/23/75/807962375.db2.gz AGEXYOHBLKEBAU-YMAMQOFZSA-N 2 1 292.854 3.399 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171022194 807962972 /nfs/dbraw/zinc/96/29/72/807962972.db2.gz JTSCZLNZRIMITF-LSDHHAIUSA-N 2 1 292.854 3.271 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171094020 807982380 /nfs/dbraw/zinc/98/23/80/807982380.db2.gz JQTJCSKHXZQYEX-HNNXBMFYSA-N 2 1 289.810 3.076 20 0 CGADMP Cc1cc(-n2c(CC[NH3+])cc3ccccc32)c2[nH+]ccn2c1 ZINC001171305779 808023886 /nfs/dbraw/zinc/02/38/86/808023886.db2.gz ZKHNZPSKGGNYPN-UHFFFAOYSA-N 2 1 290.370 3.088 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC1(C)C ZINC001171631223 808107795 /nfs/dbraw/zinc/10/77/95/808107795.db2.gz GJNOPDBTJIFMFL-GDBMZVCRSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)n1c[nH+]cc1CC[NH3+] ZINC001171958355 808158381 /nfs/dbraw/zinc/15/83/81/808158381.db2.gz VZPKYPIHLUONEH-NSHDSACASA-N 2 1 297.324 3.207 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC001172098545 808170996 /nfs/dbraw/zinc/17/09/96/808170996.db2.gz ALAOIPHBGUPNIS-PHZGNYQRSA-N 2 1 278.827 3.445 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172101439 808171915 /nfs/dbraw/zinc/17/19/15/808171915.db2.gz YGQNKJNEAYHSLZ-DGXTUMSLSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172101439 808171919 /nfs/dbraw/zinc/17/19/19/808171919.db2.gz YGQNKJNEAYHSLZ-DGXTUMSLSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])c3ccccc31)C2 ZINC001172099393 808172527 /nfs/dbraw/zinc/17/25/27/808172527.db2.gz KJHNYRMUYXEGOC-FVQHAEBGSA-N 2 1 297.446 3.330 20 0 CGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001172100582 808172829 /nfs/dbraw/zinc/17/28/29/808172829.db2.gz FNAPKJKFRZZSDC-TUVASFSCSA-N 2 1 276.399 3.492 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102353 808173638 /nfs/dbraw/zinc/17/36/38/808173638.db2.gz MHGJGDFHKDUVLK-PILAGYSTSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102353 808173643 /nfs/dbraw/zinc/17/36/43/808173643.db2.gz MHGJGDFHKDUVLK-PILAGYSTSA-N 2 1 290.426 3.362 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccccc31)C2 ZINC001172103989 808174105 /nfs/dbraw/zinc/17/41/05/808174105.db2.gz YOKWKZRSLGRKKK-DFGXFYAUSA-N 2 1 270.420 3.279 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccccc31)C2 ZINC001172103989 808174107 /nfs/dbraw/zinc/17/41/07/808174107.db2.gz YOKWKZRSLGRKKK-DFGXFYAUSA-N 2 1 270.420 3.279 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172106521 808176632 /nfs/dbraw/zinc/17/66/32/808176632.db2.gz PWYBHZFWSZDURN-WCXIOVBPSA-N 2 1 273.424 3.138 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172106521 808176636 /nfs/dbraw/zinc/17/66/36/808176636.db2.gz PWYBHZFWSZDURN-WCXIOVBPSA-N 2 1 273.424 3.138 20 0 CGADMP Cc1nc2cc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc2o1 ZINC001172108427 808176694 /nfs/dbraw/zinc/17/66/94/808176694.db2.gz WHVOUKPPLVMNGX-PHZGNYQRSA-N 2 1 299.418 3.241 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112510 808177972 /nfs/dbraw/zinc/17/79/72/808177972.db2.gz WQCUXQSEZAGAGE-ZMMAXQRCSA-N 2 1 299.462 3.446 20 0 CGADMP Cc1cnccc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112510 808177978 /nfs/dbraw/zinc/17/79/78/808177978.db2.gz WQCUXQSEZAGAGE-ZMMAXQRCSA-N 2 1 299.462 3.446 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3sccc3C1)C2 ZINC001172117326 808180382 /nfs/dbraw/zinc/18/03/82/808180382.db2.gz GJBSJSPGUVFZIT-QDMKHBRRSA-N 2 1 276.449 3.122 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3sccc3C1)C2 ZINC001172117326 808180383 /nfs/dbraw/zinc/18/03/83/808180383.db2.gz GJBSJSPGUVFZIT-QDMKHBRRSA-N 2 1 276.449 3.122 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3sccc3C1)C2 ZINC001172117326 808180384 /nfs/dbraw/zinc/18/03/84/808180384.db2.gz GJBSJSPGUVFZIT-QDMKHBRRSA-N 2 1 276.449 3.122 20 0 CGADMP C[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001172115809 808180701 /nfs/dbraw/zinc/18/07/01/808180701.db2.gz AESFLIAWESMNNY-BYNSBNAKSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC1(F)F ZINC001172115809 808180705 /nfs/dbraw/zinc/18/07/05/808180705.db2.gz AESFLIAWESMNNY-BYNSBNAKSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1(F)F ZINC001172115809 808180709 /nfs/dbraw/zinc/18/07/09/808180709.db2.gz AESFLIAWESMNNY-BYNSBNAKSA-N 2 1 286.410 3.369 20 0 CGADMP C[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1(F)F ZINC001172115809 808180712 /nfs/dbraw/zinc/18/07/12/808180712.db2.gz AESFLIAWESMNNY-BYNSBNAKSA-N 2 1 286.410 3.369 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCC3)CC1)C2 ZINC001172121877 808182168 /nfs/dbraw/zinc/18/21/68/808182168.db2.gz UTUKALZXCLGYGP-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[N@H+](Cc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121599 808182281 /nfs/dbraw/zinc/18/22/81/808182281.db2.gz KZBNSPBMYGHPAR-ZSHCYNCHSA-N 2 1 276.399 3.273 20 0 CGADMP C[N@@H+](Cc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121599 808182283 /nfs/dbraw/zinc/18/22/83/808182283.db2.gz KZBNSPBMYGHPAR-ZSHCYNCHSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121599 808182286 /nfs/dbraw/zinc/18/22/86/808182286.db2.gz KZBNSPBMYGHPAR-ZSHCYNCHSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121599 808182290 /nfs/dbraw/zinc/18/22/90/808182290.db2.gz KZBNSPBMYGHPAR-ZSHCYNCHSA-N 2 1 276.399 3.273 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](C)(F)CC1)C2 ZINC001172120046 808182871 /nfs/dbraw/zinc/18/28/71/808182871.db2.gz JFAPLZIKYYEMNJ-QKPAOTATSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](C)(F)CC1)C2 ZINC001172120046 808182875 /nfs/dbraw/zinc/18/28/75/808182875.db2.gz JFAPLZIKYYEMNJ-QKPAOTATSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@](C)(F)CC1)C2 ZINC001172120046 808182879 /nfs/dbraw/zinc/18/28/79/808182879.db2.gz JFAPLZIKYYEMNJ-QKPAOTATSA-N 2 1 268.420 3.216 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@](C)(F)CC1)C2 ZINC001172120046 808182883 /nfs/dbraw/zinc/18/28/83/808182883.db2.gz JFAPLZIKYYEMNJ-QKPAOTATSA-N 2 1 268.420 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H]3CCC[C@H]31)C2 ZINC001172124538 808184795 /nfs/dbraw/zinc/18/47/95/808184795.db2.gz LIPACQGNIPJGJB-FIDHJVLJSA-N 2 1 262.441 3.266 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001172124538 808184802 /nfs/dbraw/zinc/18/48/02/808184802.db2.gz LIPACQGNIPJGJB-FIDHJVLJSA-N 2 1 262.441 3.266 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001172124538 808184806 /nfs/dbraw/zinc/18/48/06/808184806.db2.gz LIPACQGNIPJGJB-FIDHJVLJSA-N 2 1 262.441 3.266 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001172124538 808184812 /nfs/dbraw/zinc/18/48/12/808184812.db2.gz LIPACQGNIPJGJB-FIDHJVLJSA-N 2 1 262.441 3.266 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172320699 808230781 /nfs/dbraw/zinc/23/07/81/808230781.db2.gz ZNAGEJJRHSKKBT-IKGGRYGDSA-N 2 1 284.488 3.434 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172339446 808239951 /nfs/dbraw/zinc/23/99/51/808239951.db2.gz UPNSGVZDLYNKFS-NUJGCVRESA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172339446 808239955 /nfs/dbraw/zinc/23/99/55/808239955.db2.gz UPNSGVZDLYNKFS-NUJGCVRESA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172339445 808240494 /nfs/dbraw/zinc/24/04/94/808240494.db2.gz UPNSGVZDLYNKFS-JZXOWHBKSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172339445 808240499 /nfs/dbraw/zinc/24/04/99/808240499.db2.gz UPNSGVZDLYNKFS-JZXOWHBKSA-N 2 1 296.499 3.434 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172373454 808268096 /nfs/dbraw/zinc/26/80/96/808268096.db2.gz MKTQDFIFCYEESJ-IIAWOOMASA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172373454 808268098 /nfs/dbraw/zinc/26/80/98/808268098.db2.gz MKTQDFIFCYEESJ-IIAWOOMASA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001172376316 808269750 /nfs/dbraw/zinc/26/97/50/808269750.db2.gz ZQGXITIPCDAFQZ-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172386843 808279319 /nfs/dbraw/zinc/27/93/19/808279319.db2.gz FRDQBRQCQQTSNJ-MRXNPFEDSA-N 2 1 284.488 3.172 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001172839304 808454915 /nfs/dbraw/zinc/45/49/15/808454915.db2.gz PQNINNULAIGCSJ-LJQANCHMSA-N 2 1 284.447 3.022 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccc(F)cc1Cl ZINC001172863734 808468150 /nfs/dbraw/zinc/46/81/50/808468150.db2.gz PXHLYQNMRAFCSA-SNVBAGLBSA-N 2 1 295.789 3.289 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3cccnc3C2)CC1 ZINC001173108478 808512602 /nfs/dbraw/zinc/51/26/02/808512602.db2.gz MCOAXWMNJVJNRZ-UHFFFAOYSA-N 2 1 273.424 3.050 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cscn2)CC1 ZINC001173113020 808514048 /nfs/dbraw/zinc/51/40/48/808514048.db2.gz GTBJBGOBJJAWJB-UHFFFAOYSA-N 2 1 281.469 3.228 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173260679 808566658 /nfs/dbraw/zinc/56/66/58/808566658.db2.gz SRONZXLWWKDGIZ-OWCLPIDISA-N 2 1 252.446 3.085 20 0 CGADMP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173260679 808566660 /nfs/dbraw/zinc/56/66/60/808566660.db2.gz SRONZXLWWKDGIZ-OWCLPIDISA-N 2 1 252.446 3.085 20 0 CGADMP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001173260679 808566663 /nfs/dbraw/zinc/56/66/63/808566663.db2.gz SRONZXLWWKDGIZ-OWCLPIDISA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001173278156 808581248 /nfs/dbraw/zinc/58/12/48/808581248.db2.gz WUVYQVGGWSXNRR-OAGGEKHMSA-N 2 1 252.446 3.406 20 0 CGADMP CCSC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173293682 808594210 /nfs/dbraw/zinc/59/42/10/808594210.db2.gz CBEHKANYPQDEOI-QEJZJMRPSA-N 2 1 270.486 3.110 20 0 CGADMP CC[C@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001173296487 808596532 /nfs/dbraw/zinc/59/65/32/808596532.db2.gz UEKATLANIAXHAA-XJKSGUPXSA-N 2 1 250.430 3.124 20 0 CGADMP CCSC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001173306356 808603170 /nfs/dbraw/zinc/60/31/70/808603170.db2.gz NRULDKLEBMCVEL-CQSZACIVSA-N 2 1 272.502 3.180 20 0 CGADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3ccc(Cl)cc32)C1 ZINC001173353707 808628646 /nfs/dbraw/zinc/62/86/46/808628646.db2.gz HRRNJSDVIVYMEW-CQSZACIVSA-N 2 1 291.826 3.063 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1(C)CCCCC1)C2 ZINC001274905568 808893117 /nfs/dbraw/zinc/89/31/17/808893117.db2.gz GTJZJKLAVLSYKJ-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1(C)CCCCC1)C2 ZINC001274905568 808893124 /nfs/dbraw/zinc/89/31/24/808893124.db2.gz GTJZJKLAVLSYKJ-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1(C)CCCCC1)C2 ZINC001274905568 808893132 /nfs/dbraw/zinc/89/31/32/808893132.db2.gz GTJZJKLAVLSYKJ-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP Cc1cc(F)cc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001274999341 808898105 /nfs/dbraw/zinc/89/81/05/808898105.db2.gz ZNUQAUTWVGODDF-KRWDZBQOSA-N 2 1 276.399 3.052 20 0 CGADMP C1=CC[C@H](C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)CC1 ZINC001275040766 808900370 /nfs/dbraw/zinc/90/03/70/808900370.db2.gz SCLYQQNFRHZHMQ-INIZCTEOSA-N 2 1 274.452 3.293 20 0 CGADMP C1=CC[C@H](C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)CC1 ZINC001275040766 808900374 /nfs/dbraw/zinc/90/03/74/808900374.db2.gz SCLYQQNFRHZHMQ-INIZCTEOSA-N 2 1 274.452 3.293 20 0 CGADMP CC[NH+]1CCC2(CCC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001275085574 808906598 /nfs/dbraw/zinc/90/65/98/808906598.db2.gz WWCXIWQFMKWDTK-UHFFFAOYSA-N 2 1 293.480 3.149 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001275164661 808918722 /nfs/dbraw/zinc/91/87/22/808918722.db2.gz OHLQJFYWSMNWDM-GOSISDBHSA-N 2 1 283.419 3.086 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCCN(Cc3ccc4ncoc4c3)C2)C1 ZINC001275614300 808951645 /nfs/dbraw/zinc/95/16/45/808951645.db2.gz VIFQSPHONBGFMA-GOSISDBHSA-N 2 1 299.418 3.136 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc4ncoc4c3)C2)C1 ZINC001275614300 808951651 /nfs/dbraw/zinc/95/16/51/808951651.db2.gz VIFQSPHONBGFMA-GOSISDBHSA-N 2 1 299.418 3.136 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc4ncoc4c3)C2)C1 ZINC001275614300 808951657 /nfs/dbraw/zinc/95/16/57/808951657.db2.gz VIFQSPHONBGFMA-GOSISDBHSA-N 2 1 299.418 3.136 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc4ncoc4c3)C2)C1 ZINC001275614300 808951664 /nfs/dbraw/zinc/95/16/64/808951664.db2.gz VIFQSPHONBGFMA-GOSISDBHSA-N 2 1 299.418 3.136 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc4ncoc4c3)C2)C1 ZINC001275614300 808951670 /nfs/dbraw/zinc/95/16/70/808951670.db2.gz VIFQSPHONBGFMA-GOSISDBHSA-N 2 1 299.418 3.136 20 0 CGADMP Cc1cc(F)ccc1CN1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276119797 808988214 /nfs/dbraw/zinc/98/82/14/808988214.db2.gz DUAXSPZMMIDMMU-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276119797 808988217 /nfs/dbraw/zinc/98/82/17/808988217.db2.gz DUAXSPZMMIDMMU-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276119797 808988227 /nfs/dbraw/zinc/98/82/27/808988227.db2.gz DUAXSPZMMIDMMU-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC(C)=C[C@@H]1C ZINC001276472144 809011643 /nfs/dbraw/zinc/01/16/43/809011643.db2.gz IZQVASHYIXSFKR-BFZKSOEOSA-N 2 1 262.441 3.194 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CCc3cccc(F)c3)CC2)C1 ZINC001276479081 809013011 /nfs/dbraw/zinc/01/30/11/809013011.db2.gz UGBKFJRHJRHKBL-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP Cc1ccc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1F ZINC001276537165 809015367 /nfs/dbraw/zinc/01/53/67/809015367.db2.gz DZFRCWKURBQBHI-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1F ZINC001276537165 809015377 /nfs/dbraw/zinc/01/53/77/809015377.db2.gz DZFRCWKURBQBHI-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1F ZINC001276537165 809015385 /nfs/dbraw/zinc/01/53/85/809015385.db2.gz DZFRCWKURBQBHI-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc2c(F)cccc12 ZINC001276597521 809017803 /nfs/dbraw/zinc/01/78/03/809017803.db2.gz LJAGURIHPBLYBP-GOOCMWNKSA-N 2 1 299.393 3.089 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc2c(F)cccc12 ZINC001276597521 809017810 /nfs/dbraw/zinc/01/78/10/809017810.db2.gz LJAGURIHPBLYBP-GOOCMWNKSA-N 2 1 299.393 3.089 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cc(C)ccc2[nH]1 ZINC001276596853 809018944 /nfs/dbraw/zinc/01/89/44/809018944.db2.gz DQBAZQUHXGTONP-ZXFUBFMLSA-N 2 1 283.419 3.191 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cc(C)ccc2[nH]1 ZINC001276596853 809018950 /nfs/dbraw/zinc/01/89/50/809018950.db2.gz DQBAZQUHXGTONP-ZXFUBFMLSA-N 2 1 283.419 3.191 20 0 CGADMP Cc1c(F)cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1F ZINC001276668658 809024782 /nfs/dbraw/zinc/02/47/82/809024782.db2.gz KYQJWWNYRIDZPP-UHFFFAOYSA-N 2 1 294.389 3.191 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CCc3ccccc3F)CC2)C1 ZINC001276725608 809026752 /nfs/dbraw/zinc/02/67/52/809026752.db2.gz DFALRQFYXUTSFB-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP CCSCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277917090 809104815 /nfs/dbraw/zinc/10/48/15/809104815.db2.gz RNVNVOBUMNVIKF-UHFFFAOYSA-N 2 1 296.524 3.470 20 0 CGADMP Cc1[nH+]ccn1Cc1ccc(Nc2cc(C)[nH+]c(C)c2)cc1 ZINC001176056552 809610957 /nfs/dbraw/zinc/61/09/57/809610957.db2.gz ZHSRGIAFQVQPBI-UHFFFAOYSA-N 2 1 292.386 3.417 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3Cl)[C@H]2C1 ZINC001179816705 809948971 /nfs/dbraw/zinc/94/89/71/809948971.db2.gz MVIMZWAKKMAYPT-SGMGOOAPSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3Cl)[C@H]2C1 ZINC001179816705 809948973 /nfs/dbraw/zinc/94/89/73/809948973.db2.gz MVIMZWAKKMAYPT-SGMGOOAPSA-N 2 1 299.245 3.423 20 0 CGADMP C[C@@H](c1nccc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC001180794423 810021926 /nfs/dbraw/zinc/02/19/26/810021926.db2.gz OLZHIITWIIYVNB-LSDHHAIUSA-N 2 1 283.419 3.179 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC001182310064 810104469 /nfs/dbraw/zinc/10/44/69/810104469.db2.gz TZNBRZFLRTWWMA-KRWDZBQOSA-N 2 1 272.436 3.008 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC001182310064 810104472 /nfs/dbraw/zinc/10/44/72/810104472.db2.gz TZNBRZFLRTWWMA-KRWDZBQOSA-N 2 1 272.436 3.008 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(C)(c4ccccc4)C3)[C@@H]2C1 ZINC001184388761 810196629 /nfs/dbraw/zinc/19/66/29/810196629.db2.gz SQXQSLGUWNLLSK-PTDADWAYSA-N 2 1 284.447 3.037 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001191455368 810715513 /nfs/dbraw/zinc/71/55/13/810715513.db2.gz YNSCPGIWLIVHMN-SFHVURJKSA-N 2 1 296.499 3.390 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001196788498 811367401 /nfs/dbraw/zinc/36/74/01/811367401.db2.gz BQTITFBUQGYXGU-VQHPVUNQSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001196788498 811367410 /nfs/dbraw/zinc/36/74/10/811367410.db2.gz BQTITFBUQGYXGU-VQHPVUNQSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001196788498 811367422 /nfs/dbraw/zinc/36/74/22/811367422.db2.gz BQTITFBUQGYXGU-VQHPVUNQSA-N 2 1 264.457 3.086 20 0 CGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001197031471 811390935 /nfs/dbraw/zinc/39/09/35/811390935.db2.gz KSYLLNOBSYCBOP-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001197031471 811390945 /nfs/dbraw/zinc/39/09/45/811390945.db2.gz KSYLLNOBSYCBOP-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001197031471 811390954 /nfs/dbraw/zinc/39/09/54/811390954.db2.gz KSYLLNOBSYCBOP-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001197031471 811390964 /nfs/dbraw/zinc/39/09/64/811390964.db2.gz KSYLLNOBSYCBOP-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[C@H](C)CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001197105071 811398318 /nfs/dbraw/zinc/39/83/18/811398318.db2.gz PKVBGIHHVIEAGY-ZDUSSCGKSA-N 2 1 261.413 3.238 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001197105071 811398327 /nfs/dbraw/zinc/39/83/27/811398327.db2.gz PKVBGIHHVIEAGY-ZDUSSCGKSA-N 2 1 261.413 3.238 20 0 CGADMP Cc1nccn1CC[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001198704436 811536509 /nfs/dbraw/zinc/53/65/09/811536509.db2.gz AXLZPUVXWHWBRS-INIZCTEOSA-N 2 1 261.413 3.094 20 0 CGADMP CC[C@H]1C[C@@H](C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCO1 ZINC001198918881 811552375 /nfs/dbraw/zinc/55/23/75/811552375.db2.gz QHEHDMOAWAEERH-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H](C[NH2+]Cc1cccc2cnccc21)[NH+]1CCCC1 ZINC001199190556 811563766 /nfs/dbraw/zinc/56/37/66/811563766.db2.gz ZCSJLJOBDYTNPJ-KRWDZBQOSA-N 2 1 283.419 3.199 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001200439909 811690280 /nfs/dbraw/zinc/69/02/80/811690280.db2.gz XGXRAXZCPHFKAA-XHSDSOJGSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001200439909 811690290 /nfs/dbraw/zinc/69/02/90/811690290.db2.gz XGXRAXZCPHFKAA-XHSDSOJGSA-N 2 1 282.472 3.044 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989226 812511851 /nfs/dbraw/zinc/51/18/51/812511851.db2.gz ZUQXGLDCIWBTOP-MJGOQNOKSA-N 2 1 280.415 3.366 20 0 CGADMP C[N@H+](Cc1ccc[nH]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204009094 812518634 /nfs/dbraw/zinc/51/86/34/812518634.db2.gz OXXDMFAONYDUBZ-UHFFFAOYSA-N 2 1 297.446 3.359 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccnc4ccccc34)C[C@H]2C1 ZINC001204089463 812546825 /nfs/dbraw/zinc/54/68/25/812546825.db2.gz CTISTMZXUJTHDN-IAGOWNOFSA-N 2 1 295.430 3.008 20 0 CGADMP CC1CC([N@@H+](C)Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204262986 812592371 /nfs/dbraw/zinc/59/23/71/812592371.db2.gz DGNRECNVIKCDHH-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP CCC[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@@H](C)CC ZINC001204630149 812695269 /nfs/dbraw/zinc/69/52/69/812695269.db2.gz MKMYDXMQBNPJAW-AWEZNQCLSA-N 2 1 260.425 3.343 20 0 CGADMP c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc2c1CCC2 ZINC001204727797 812718916 /nfs/dbraw/zinc/71/89/16/812718916.db2.gz PLGNUFYOOVZJCO-UHFFFAOYSA-N 2 1 284.447 3.141 20 0 CGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(C)c1F ZINC001204735385 812720420 /nfs/dbraw/zinc/72/04/20/812720420.db2.gz RZUSPEIUCUALSR-UHFFFAOYSA-N 2 1 290.426 3.408 20 0 CGADMP C[C@@H]([NH3+])C[NH+]1CCC(CCCc2ccccc2)CC1 ZINC001204885178 812763667 /nfs/dbraw/zinc/76/36/67/812763667.db2.gz MJJNVQXFTKFNQX-OAHLLOKOSA-N 2 1 260.425 3.069 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001204938892 812786497 /nfs/dbraw/zinc/78/64/97/812786497.db2.gz OILJQSQYMUFWLZ-IMJJTQAJSA-N 2 1 278.827 3.257 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001204938892 812786504 /nfs/dbraw/zinc/78/65/04/812786504.db2.gz OILJQSQYMUFWLZ-IMJJTQAJSA-N 2 1 278.827 3.257 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)c(Cl)c2C)C1 ZINC001205018028 812828307 /nfs/dbraw/zinc/82/83/07/812828307.db2.gz QHIYTFYAQJQITL-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)c(Cl)c2C)C1 ZINC001205018028 812828315 /nfs/dbraw/zinc/82/83/15/812828315.db2.gz QHIYTFYAQJQITL-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109185 812869025 /nfs/dbraw/zinc/86/90/25/812869025.db2.gz CBCNCHIMIJGOTB-CQSZACIVSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109185 812869036 /nfs/dbraw/zinc/86/90/36/812869036.db2.gz CBCNCHIMIJGOTB-CQSZACIVSA-N 2 1 297.240 3.071 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2-c2nccs2)CC1 ZINC001205110140 812870269 /nfs/dbraw/zinc/87/02/69/812870269.db2.gz PLBQNAQNWOFIML-CQSZACIVSA-N 2 1 287.432 3.123 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205109327 812870601 /nfs/dbraw/zinc/87/06/01/812870601.db2.gz FPKBKOKOQMYSAQ-INIZCTEOSA-N 2 1 260.425 3.297 20 0 CGADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109906 812871223 /nfs/dbraw/zinc/87/12/23/812871223.db2.gz MRZUYGYIXHAUNH-CQSZACIVSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109906 812871232 /nfs/dbraw/zinc/87/12/32/812871232.db2.gz MRZUYGYIXHAUNH-CQSZACIVSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124571 812879369 /nfs/dbraw/zinc/87/93/69/812879369.db2.gz VRAOFYUEGSEURQ-CQSZACIVSA-N 2 1 266.816 3.270 20 0 CGADMP COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C(C)C ZINC001205146170 812885673 /nfs/dbraw/zinc/88/56/73/812885673.db2.gz RJPNSDIBFRMXPT-GOEBONIOSA-N 2 1 290.451 3.154 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145755 812886432 /nfs/dbraw/zinc/88/64/32/812886432.db2.gz FPXKGGOZYBNUOL-WCQYABFASA-N 2 1 286.341 3.040 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001205164949 812895943 /nfs/dbraw/zinc/89/59/43/812895943.db2.gz XSWCSJWGPJHZMT-WOSRLPQWSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC001205164949 812895950 /nfs/dbraw/zinc/89/59/50/812895950.db2.gz XSWCSJWGPJHZMT-WOSRLPQWSA-N 2 1 294.389 3.097 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@](C)([NH3+])CC2)o1 ZINC001205255756 812919031 /nfs/dbraw/zinc/91/90/31/812919031.db2.gz KOJMNBJEBLUHGA-CJNGLKHVSA-N 2 1 264.413 3.285 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205274618 812926329 /nfs/dbraw/zinc/92/63/29/812926329.db2.gz YVLPLJDRASHAIA-OAHLLOKOSA-N 2 1 266.816 3.352 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1C(F)F ZINC001205287749 812932218 /nfs/dbraw/zinc/93/22/18/812932218.db2.gz BPVHBFLVQRYXEF-MRXNPFEDSA-N 2 1 298.377 3.336 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205289466 812933740 /nfs/dbraw/zinc/93/37/40/812933740.db2.gz YCADKJFIGLPQSH-INIZCTEOSA-N 2 1 264.388 3.146 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(O)cc3ccccc32)CC1 ZINC001205288790 812933762 /nfs/dbraw/zinc/93/37/62/812933762.db2.gz OKGBKVMTOVPSSU-GOSISDBHSA-N 2 1 284.403 3.249 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205306321 812943625 /nfs/dbraw/zinc/94/36/25/812943625.db2.gz VJVSUMKUFPVLKY-NVXWUHKLSA-N 2 1 290.451 3.199 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205306569 812943803 /nfs/dbraw/zinc/94/38/03/812943803.db2.gz XUFDSGKOHOTZBG-GDBMZVCRSA-N 2 1 260.425 3.227 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)c1Cl ZINC001205317153 812949589 /nfs/dbraw/zinc/94/95/89/812949589.db2.gz MRRHNLCGAAIGLH-XHDPSFHLSA-N 2 1 280.843 3.374 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205317976 812950852 /nfs/dbraw/zinc/95/08/52/812950852.db2.gz RDMKWKLYYDBTPH-ZFWWWQNUSA-N 2 1 294.414 3.031 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205317976 812950856 /nfs/dbraw/zinc/95/08/56/812950856.db2.gz RDMKWKLYYDBTPH-ZFWWWQNUSA-N 2 1 294.414 3.031 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205317748 812951219 /nfs/dbraw/zinc/95/12/19/812951219.db2.gz PVLLQAYCZJRAQM-DZGCQCFKSA-N 2 1 278.465 3.134 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC001205319382 812952586 /nfs/dbraw/zinc/95/25/86/812952586.db2.gz ZIZQSWVHCQMMHS-WBVHZDCISA-N 2 1 295.430 3.165 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205332042 812959599 /nfs/dbraw/zinc/95/95/99/812959599.db2.gz MURKDCQLRWPTMW-AWEZNQCLSA-N 2 1 258.409 3.138 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205332042 812959603 /nfs/dbraw/zinc/95/96/03/812959603.db2.gz MURKDCQLRWPTMW-AWEZNQCLSA-N 2 1 258.409 3.138 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001205545729 812999173 /nfs/dbraw/zinc/99/91/73/812999173.db2.gz MQIGFAKMRRLHIO-XHSDSOJGSA-N 2 1 268.420 3.132 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC001205545732 812999626 /nfs/dbraw/zinc/99/96/26/812999626.db2.gz MSKAISGCOQHIFB-OAHLLOKOSA-N 2 1 284.806 3.035 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001205546616 813000465 /nfs/dbraw/zinc/00/04/65/813000465.db2.gz XDVJXMYPIQKVPZ-LBPRGKRZSA-N 2 1 276.808 3.054 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205559831 813003532 /nfs/dbraw/zinc/00/35/32/813003532.db2.gz VFDSXMBOWYGGJS-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205560033 813003552 /nfs/dbraw/zinc/00/35/52/813003552.db2.gz YIABRQOKEVGYAV-QGZVFWFLSA-N 2 1 294.414 3.127 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205591041 813015075 /nfs/dbraw/zinc/01/50/75/813015075.db2.gz BZEXOXZTDCQNDF-QGZVFWFLSA-N 2 1 294.414 3.047 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205603025 813019224 /nfs/dbraw/zinc/01/92/24/813019224.db2.gz MWSKJJISNDGETB-WBVHZDCISA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205603326 813020402 /nfs/dbraw/zinc/02/04/02/813020402.db2.gz OCTJEYISFDOUKT-HIFRSBDPSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205604761 813021743 /nfs/dbraw/zinc/02/17/43/813021743.db2.gz WUCXUTQPGNCCPI-JSGCOSHPSA-N 2 1 298.833 3.328 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618187 813029112 /nfs/dbraw/zinc/02/91/12/813029112.db2.gz SKUWWXZNPBUJRT-HOTGVXAUSA-N 2 1 299.462 3.468 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)s1 ZINC001205628314 813033659 /nfs/dbraw/zinc/03/36/59/813033659.db2.gz UYRRIUHRYFRGJP-NWDGAFQWSA-N 2 1 284.494 3.277 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205637813 813036840 /nfs/dbraw/zinc/03/68/40/813036840.db2.gz IYCIUDOGKLLULP-UONOGXRCSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc(F)c1F ZINC001205651332 813042323 /nfs/dbraw/zinc/04/23/23/813042323.db2.gz CSZPZWGMHPZFAG-YPMHNXCESA-N 2 1 282.378 3.080 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1(C)C ZINC001205735091 813063676 /nfs/dbraw/zinc/06/36/76/813063676.db2.gz JYWYIOKLJXFMGW-UONOGXRCSA-N 2 1 286.410 3.285 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205734991 813063887 /nfs/dbraw/zinc/06/38/87/813063887.db2.gz ITMAVVUYGHMQCB-INIZCTEOSA-N 2 1 296.405 3.268 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001205803687 813082569 /nfs/dbraw/zinc/08/25/69/813082569.db2.gz ITZAIDRTTSVJNE-KBXCAEBGSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001205803687 813082574 /nfs/dbraw/zinc/08/25/74/813082574.db2.gz ITZAIDRTTSVJNE-KBXCAEBGSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2csc3ccccc23)C1 ZINC001205828197 813099951 /nfs/dbraw/zinc/09/99/51/813099951.db2.gz KAZDELSMWMKSNR-OCCSQVGLSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2csc3ccccc23)C1 ZINC001205828197 813099957 /nfs/dbraw/zinc/09/99/57/813099957.db2.gz KAZDELSMWMKSNR-OCCSQVGLSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1C ZINC001205830018 813100076 /nfs/dbraw/zinc/10/00/76/813100076.db2.gz QRJMKFVIKIHTIS-SJKOYZFVSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1C ZINC001205830018 813100079 /nfs/dbraw/zinc/10/00/79/813100079.db2.gz QRJMKFVIKIHTIS-SJKOYZFVSA-N 2 1 260.425 3.171 20 0 CGADMP CCCc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205832086 813101999 /nfs/dbraw/zinc/10/19/99/813101999.db2.gz ZJRVHIAHPIKSHB-PBHICJAKSA-N 2 1 260.425 3.198 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205832086 813102001 /nfs/dbraw/zinc/10/20/01/813102001.db2.gz ZJRVHIAHPIKSHB-PBHICJAKSA-N 2 1 260.425 3.198 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001205851754 813108454 /nfs/dbraw/zinc/10/84/54/813108454.db2.gz BKOVTRUJCNAHLM-WMLDXEAASA-N 2 1 268.404 3.351 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205851754 813108456 /nfs/dbraw/zinc/10/84/56/813108456.db2.gz BKOVTRUJCNAHLM-WMLDXEAASA-N 2 1 268.404 3.351 20 0 CGADMP C[C@@H]1CC[N@H+](CCCCCOCc2ccccc2)C[C@@H]1[NH3+] ZINC001205863226 813112251 /nfs/dbraw/zinc/11/22/51/813112251.db2.gz LBLBLGUPQFWENN-AEFFLSMTSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)C[C@@H]1[NH3+] ZINC001205863226 813112254 /nfs/dbraw/zinc/11/22/54/813112254.db2.gz LBLBLGUPQFWENN-AEFFLSMTSA-N 2 1 290.451 3.043 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(O)c2ccccc12 ZINC001205903333 813125083 /nfs/dbraw/zinc/12/50/83/813125083.db2.gz OTQMTQZQUJDWFN-KGLIPLIRSA-N 2 1 284.403 3.105 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c2c1 ZINC001205904222 813126060 /nfs/dbraw/zinc/12/60/60/813126060.db2.gz TUMVHMSNBDTKJN-KGLIPLIRSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001205904287 813126899 /nfs/dbraw/zinc/12/68/99/813126899.db2.gz UHVKNGUKWRPRJM-DYVFJYSZSA-N 2 1 284.403 3.105 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205904875 813128431 /nfs/dbraw/zinc/12/84/31/813128431.db2.gz XPISJZQCIPEBDQ-NVXWUHKLSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1C ZINC001205912745 813129204 /nfs/dbraw/zinc/12/92/04/813129204.db2.gz BXKGGKXIVQCDBI-HZPDHXFCSA-N 2 1 260.425 3.171 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205913120 813129464 /nfs/dbraw/zinc/12/94/64/813129464.db2.gz HDHJDASTGUWVDG-YOEHRIQHSA-N 2 1 298.430 3.408 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(O)cc2ccccc21 ZINC001205913510 813131132 /nfs/dbraw/zinc/13/11/32/813131132.db2.gz IWXLSZCXHABANW-ZFWWWQNUSA-N 2 1 284.403 3.105 20 0 CGADMP Cc1nc2cc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)ccc2s1 ZINC001205914738 813131180 /nfs/dbraw/zinc/13/11/80/813131180.db2.gz NDFJMZDZHKZXTC-BXUZGUMPSA-N 2 1 289.448 3.164 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001205923186 813135107 /nfs/dbraw/zinc/13/51/07/813135107.db2.gz KMPUSFKBWGXGEX-IUODEOHRSA-N 2 1 276.399 3.262 20 0 CGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)CCC[C@H]1C[NH3+] ZINC001205982206 813151336 /nfs/dbraw/zinc/15/13/36/813151336.db2.gz LNZJAQCWHIBBBR-ZBFHGGJFSA-N 2 1 252.446 3.264 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)CCC[C@H]1C[NH3+] ZINC001205983965 813151352 /nfs/dbraw/zinc/15/13/52/813151352.db2.gz QOIPNQUORWIXIF-OCCSQVGLSA-N 2 1 274.399 3.119 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2Cl)CCC[C@H]1C[NH3+] ZINC001205982532 813152058 /nfs/dbraw/zinc/15/20/58/813152058.db2.gz MGRYUCJBQRVIKQ-STQMWFEESA-N 2 1 266.816 3.147 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC001205985600 813152486 /nfs/dbraw/zinc/15/24/86/813152486.db2.gz YSZOQTOAULLINE-JKSUJKDBSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)CCC[C@@H]1C[NH3+] ZINC001205985470 813152706 /nfs/dbraw/zinc/15/27/06/813152706.db2.gz YKSCLEIOZUYNFV-GDBMZVCRSA-N 2 1 252.446 3.264 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205993179 813155629 /nfs/dbraw/zinc/15/56/29/813155629.db2.gz HLJBFLGQPJODDC-UKRRQHHQSA-N 2 1 285.435 3.283 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c[nH]c21 ZINC001205997012 813157784 /nfs/dbraw/zinc/15/77/84/813157784.db2.gz YRKICIOLIWREAL-GJZGRUSLSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)CCC[C@H]1C[NH3+] ZINC001205996372 813158614 /nfs/dbraw/zinc/15/86/14/813158614.db2.gz WPKQGUCDMQUJCW-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccncc32)CCC[C@H]1C[NH3+] ZINC001206002780 813161208 /nfs/dbraw/zinc/16/12/08/813161208.db2.gz AUJQWILKJQABHD-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC001206003609 813161719 /nfs/dbraw/zinc/16/17/19/813161719.db2.gz KFDDWHPNPLLGAN-VXGBXAGGSA-N 2 1 284.494 3.277 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206024117 813168915 /nfs/dbraw/zinc/16/89/15/813168915.db2.gz HVIPBHOIIPUOPG-UONOGXRCSA-N 2 1 280.843 3.455 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206034792 813173702 /nfs/dbraw/zinc/17/37/02/813173702.db2.gz AFZOUOMREXMALT-ARFHVFGLSA-N 2 1 284.488 3.277 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1)c1ccccc1 ZINC001206157372 813217949 /nfs/dbraw/zinc/21/79/49/813217949.db2.gz YGYZVDCUXIKBKK-HOTGVXAUSA-N 2 1 278.415 3.116 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1)c1ccccc1 ZINC001206157372 813217953 /nfs/dbraw/zinc/21/79/53/813217953.db2.gz YGYZVDCUXIKBKK-HOTGVXAUSA-N 2 1 278.415 3.116 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001206257948 813259982 /nfs/dbraw/zinc/25/99/82/813259982.db2.gz NWPHWCVKAGKQFO-JGGQBBKZSA-N 2 1 278.827 3.127 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001206263052 813262651 /nfs/dbraw/zinc/26/26/51/813262651.db2.gz MJJBEMJYHCFLQQ-KRWDZBQOSA-N 2 1 294.442 3.461 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001206263052 813262655 /nfs/dbraw/zinc/26/26/55/813262655.db2.gz MJJBEMJYHCFLQQ-KRWDZBQOSA-N 2 1 294.442 3.461 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206278152 813268305 /nfs/dbraw/zinc/26/83/05/813268305.db2.gz ZHENKABJTKGDHB-NSHDSACASA-N 2 1 286.341 3.055 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206278152 813268307 /nfs/dbraw/zinc/26/83/07/813268307.db2.gz ZHENKABJTKGDHB-NSHDSACASA-N 2 1 286.341 3.055 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC2(c3ccccc3)CC2)CC1 ZINC001206292498 813274909 /nfs/dbraw/zinc/27/49/09/813274909.db2.gz CBFREHSEJXPDRA-QGZVFWFLSA-N 2 1 272.436 3.169 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3ccccc23)CC1 ZINC001206296248 813276585 /nfs/dbraw/zinc/27/65/85/813276585.db2.gz QSMBOCATHBBNNW-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206304864 813281675 /nfs/dbraw/zinc/28/16/75/813281675.db2.gz PXFHWPHXUKUEGC-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206304726 813281706 /nfs/dbraw/zinc/28/17/06/813281706.db2.gz OSLBRCBZECSKLK-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)ccc(F)c2F)CC1 ZINC001206305384 813282207 /nfs/dbraw/zinc/28/22/07/813282207.db2.gz YEKPNWHHJLJPQU-OAHLLOKOSA-N 2 1 286.341 3.055 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311415 813284049 /nfs/dbraw/zinc/28/40/49/813284049.db2.gz OCNBCKZHVAFIBV-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ccncc32)CC1 ZINC001206310750 813284767 /nfs/dbraw/zinc/28/47/67/813284767.db2.gz BPHOZXNJBQTPTP-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1sccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206325767 813290415 /nfs/dbraw/zinc/29/04/15/813290415.db2.gz JJYLRRFRFFSFRI-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)c[nH]c21 ZINC001206344676 813297682 /nfs/dbraw/zinc/29/76/82/813297682.db2.gz WNGNWNXILMCVFN-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)c[nH]c21 ZINC001206344676 813297687 /nfs/dbraw/zinc/29/76/87/813297687.db2.gz WNGNWNXILMCVFN-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001206542126 813343467 /nfs/dbraw/zinc/34/34/67/813343467.db2.gz SAZUOVLYJZZKGA-MRXNPFEDSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC001206542058 813344503 /nfs/dbraw/zinc/34/45/03/813344503.db2.gz QGWJQGYZYHUGOU-NVXWUHKLSA-N 2 1 260.425 3.241 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)s1 ZINC001206541407 813345567 /nfs/dbraw/zinc/34/55/67/813345567.db2.gz HFGIDQMEAXQGKB-CQSZACIVSA-N 2 1 252.427 3.007 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001206548247 813348082 /nfs/dbraw/zinc/34/80/82/813348082.db2.gz IGSQFNBJDQKNNM-KRWDZBQOSA-N 2 1 272.392 3.384 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC001206549374 813349207 /nfs/dbraw/zinc/34/92/07/813349207.db2.gz MCSDLFPFVJYILO-MRXNPFEDSA-N 2 1 298.377 3.239 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC001206549374 813349211 /nfs/dbraw/zinc/34/92/11/813349211.db2.gz MCSDLFPFVJYILO-MRXNPFEDSA-N 2 1 298.377 3.239 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c[nH]c2c1 ZINC001206548847 813349378 /nfs/dbraw/zinc/34/93/78/813349378.db2.gz JUEFQZHJVVRCNK-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP CC(C)(C)c1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccn1 ZINC001206563305 813355292 /nfs/dbraw/zinc/35/52/92/813355292.db2.gz BQFRRADQNZPMDJ-SFHVURJKSA-N 2 1 289.467 3.330 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001206580513 813361871 /nfs/dbraw/zinc/36/18/71/813361871.db2.gz DGKMTNGQAGPBLG-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP COc1ccc(F)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206591648 813367422 /nfs/dbraw/zinc/36/74/22/813367422.db2.gz UQLHGKUJHZIYBP-OAHLLOKOSA-N 2 1 294.414 3.187 20 0 CGADMP COc1ccc(F)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206591648 813367429 /nfs/dbraw/zinc/36/74/29/813367429.db2.gz UQLHGKUJHZIYBP-OAHLLOKOSA-N 2 1 294.414 3.187 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206646701 813385791 /nfs/dbraw/zinc/38/57/91/813385791.db2.gz DNAXYVKEPSFEPB-AWEZNQCLSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206646701 813385800 /nfs/dbraw/zinc/38/58/00/813385800.db2.gz DNAXYVKEPSFEPB-AWEZNQCLSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206761062 813425787 /nfs/dbraw/zinc/42/57/87/813425787.db2.gz SIISTWDTUGEBMC-XHSDSOJGSA-N 2 1 252.446 3.428 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206767790 813430450 /nfs/dbraw/zinc/43/04/50/813430450.db2.gz FFPUDNWMJPQNJR-WBVHZDCISA-N 2 1 290.451 3.425 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206767622 813430748 /nfs/dbraw/zinc/43/07/48/813430748.db2.gz CNPSOOUHUFIKCW-NVXWUHKLSA-N 2 1 290.451 3.281 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206771834 813433820 /nfs/dbraw/zinc/43/38/20/813433820.db2.gz YDXVTKQBAWNORN-HZPDHXFCSA-N 2 1 290.451 3.341 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206806154 813441642 /nfs/dbraw/zinc/44/16/42/813441642.db2.gz FVORXQPNLPCAIT-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206806154 813441649 /nfs/dbraw/zinc/44/16/49/813441649.db2.gz FVORXQPNLPCAIT-KBPBESRZSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc2ccsc2c1 ZINC001206806601 813441814 /nfs/dbraw/zinc/44/18/14/813441814.db2.gz GVHUCYFHBLFGDN-TZMCWYRMSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001206812550 813445983 /nfs/dbraw/zinc/44/59/83/813445983.db2.gz ZNAHYFDNJOVBSA-OCCSQVGLSA-N 2 1 276.399 3.262 20 0 CGADMP Cc1ncc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001207060012 813476393 /nfs/dbraw/zinc/47/63/93/813476393.db2.gz DEFJCENAODUKHI-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)s1 ZINC001207061990 813476972 /nfs/dbraw/zinc/47/69/72/813476972.db2.gz TVDJYUJJLZQGIU-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)s1 ZINC001207061990 813476976 /nfs/dbraw/zinc/47/69/76/813476976.db2.gz TVDJYUJJLZQGIU-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001207061990 813476979 /nfs/dbraw/zinc/47/69/79/813476979.db2.gz TVDJYUJJLZQGIU-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001207061990 813476984 /nfs/dbraw/zinc/47/69/84/813476984.db2.gz TVDJYUJJLZQGIU-LSDHHAIUSA-N 2 1 293.480 3.290 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2C1 ZINC001207261031 813523625 /nfs/dbraw/zinc/52/36/25/813523625.db2.gz IKKDSWBEZHHNAS-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001207261031 813523630 /nfs/dbraw/zinc/52/36/30/813523630.db2.gz IKKDSWBEZHHNAS-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001207261031 813523635 /nfs/dbraw/zinc/52/36/35/813523635.db2.gz IKKDSWBEZHHNAS-CALCHBBNSA-N 2 1 264.457 3.230 20 0 CGADMP COc1cccc(CCC[N@@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC001207282554 813534238 /nfs/dbraw/zinc/53/42/38/813534238.db2.gz KYVDBPLSYNRFOC-UHFFFAOYSA-N 2 1 292.467 3.147 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001207282322 813534338 /nfs/dbraw/zinc/53/43/38/813534338.db2.gz HYXDFLKOCVCPDO-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207287382 813535346 /nfs/dbraw/zinc/53/53/46/813535346.db2.gz DBWXWPIVRKRJMJ-CQSZACIVSA-N 2 1 260.425 3.021 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001207398338 813557025 /nfs/dbraw/zinc/55/70/25/813557025.db2.gz JDVMLGCFEWJHIW-GOSISDBHSA-N 2 1 272.436 3.208 20 0 CGADMP C[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)CCC1(F)F ZINC001207480112 813572715 /nfs/dbraw/zinc/57/27/15/813572715.db2.gz UKUOTFLWEVMKQR-ZDUSSCGKSA-N 2 1 274.399 3.086 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)CC1(C)CC[NH+](C)CC1 ZINC001208109038 813694308 /nfs/dbraw/zinc/69/43/08/813694308.db2.gz KJOKTDAVKHOLJM-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208109539 813694772 /nfs/dbraw/zinc/69/47/72/813694772.db2.gz OCSOUBAOFOVDOZ-HNNXBMFYSA-N 2 1 290.451 3.420 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001208109543 813695158 /nfs/dbraw/zinc/69/51/58/813695158.db2.gz OFBHTRMWERTHGD-ZDUSSCGKSA-N 2 1 279.453 3.012 20 0 CGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001208114177 813696086 /nfs/dbraw/zinc/69/60/86/813696086.db2.gz SZNNMIVHPKNODW-OAHLLOKOSA-N 2 1 290.426 3.347 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208183399 813733839 /nfs/dbraw/zinc/73/38/39/813733839.db2.gz CCDCVJIBEXNRGN-UHFFFAOYSA-N 2 1 286.463 3.475 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208192608 813737766 /nfs/dbraw/zinc/73/77/66/813737766.db2.gz VWWTZNNVIMGOTJ-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208194585 813739363 /nfs/dbraw/zinc/73/93/63/813739363.db2.gz QHKZJZMTJASHPE-MBZYTVFJSA-N 2 1 264.457 3.397 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001208604573 813771453 /nfs/dbraw/zinc/77/14/53/813771453.db2.gz QRANPMRIVAXIOH-IBGZPJMESA-N 2 1 286.463 3.283 20 0 CGADMP Cc1ccccc1[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208607067 813772432 /nfs/dbraw/zinc/77/24/32/813772432.db2.gz ILYZZILVSAWXKB-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208607067 813772436 /nfs/dbraw/zinc/77/24/36/813772436.db2.gz ILYZZILVSAWXKB-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208607067 813772440 /nfs/dbraw/zinc/77/24/40/813772440.db2.gz ILYZZILVSAWXKB-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208607067 813772445 /nfs/dbraw/zinc/77/24/45/813772445.db2.gz ILYZZILVSAWXKB-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208607354 813775650 /nfs/dbraw/zinc/77/56/50/813775650.db2.gz MEGZHAWXUPMULP-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208607354 813775652 /nfs/dbraw/zinc/77/56/52/813775652.db2.gz MEGZHAWXUPMULP-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208607354 813775657 /nfs/dbraw/zinc/77/56/57/813775657.db2.gz MEGZHAWXUPMULP-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208607354 813775661 /nfs/dbraw/zinc/77/56/61/813775661.db2.gz MEGZHAWXUPMULP-FUHWJXTLSA-N 2 1 272.436 3.474 20 0 CGADMP CC(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208607256 813775925 /nfs/dbraw/zinc/77/59/25/813775925.db2.gz KXEFMZJHVQZZST-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208607256 813775928 /nfs/dbraw/zinc/77/59/28/813775928.db2.gz KXEFMZJHVQZZST-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208607256 813775930 /nfs/dbraw/zinc/77/59/30/813775930.db2.gz KXEFMZJHVQZZST-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP CC(C)C[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208607256 813775934 /nfs/dbraw/zinc/77/59/34/813775934.db2.gz KXEFMZJHVQZZST-SFHVURJKSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@@H](CC[N@H+]1CCc2[nH+]ccn2CC1)CC(C)(C)C ZINC001208664483 813787634 /nfs/dbraw/zinc/78/76/34/813787634.db2.gz MYVWDHNTZPWYMS-AWEZNQCLSA-N 2 1 263.429 3.204 20 0 CGADMP C[C@@H](CC[N@@H+]1CCc2[nH+]ccn2CC1)CC(C)(C)C ZINC001208664483 813787639 /nfs/dbraw/zinc/78/76/39/813787639.db2.gz MYVWDHNTZPWYMS-AWEZNQCLSA-N 2 1 263.429 3.204 20 0 CGADMP CC[NH+](CC)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927642 813902162 /nfs/dbraw/zinc/90/21/62/813902162.db2.gz AZOYRBVRIGLLOY-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CC[NH+](CC)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927642 813902168 /nfs/dbraw/zinc/90/21/68/813902168.db2.gz AZOYRBVRIGLLOY-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CN1CCC([N@@H+](C)CCc2ccc(F)cc2Cl)CC1 ZINC001209109106 813936707 /nfs/dbraw/zinc/93/67/07/813936707.db2.gz HYTMWTHVEOQSFN-UHFFFAOYSA-N 2 1 284.806 3.048 20 0 CGADMP C[N@H+](CCc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001209109106 813936710 /nfs/dbraw/zinc/93/67/10/813936710.db2.gz HYTMWTHVEOQSFN-UHFFFAOYSA-N 2 1 284.806 3.048 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001209109106 813936713 /nfs/dbraw/zinc/93/67/13/813936713.db2.gz HYTMWTHVEOQSFN-UHFFFAOYSA-N 2 1 284.806 3.048 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCCCCc1ccccc1 ZINC001209228662 813976536 /nfs/dbraw/zinc/97/65/36/813976536.db2.gz LYXAEFKUNPMTAO-UHFFFAOYSA-N 2 1 262.441 3.283 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209429204 814029878 /nfs/dbraw/zinc/02/98/78/814029878.db2.gz VRXPEAFUEATVII-GJZGRUSLSA-N 2 1 264.457 3.371 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001209453040 814048114 /nfs/dbraw/zinc/04/81/14/814048114.db2.gz XBNJRFIVKXHMBY-IAGOWNOFSA-N 2 1 264.457 3.375 20 0 CGADMP [NH3+]Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001218300549 816157759 /nfs/dbraw/zinc/15/77/59/816157759.db2.gz ZHDVWKZQIRYQKX-GOSISDBHSA-N 2 1 296.414 3.189 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141428 816358642 /nfs/dbraw/zinc/35/86/42/816358642.db2.gz LNWZZHGKKYTCEI-LJQANCHMSA-N 2 1 286.463 3.475 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222148150 816359008 /nfs/dbraw/zinc/35/90/08/816359008.db2.gz LXZWBJFMNHPIMB-SFHVURJKSA-N 2 1 272.436 3.215 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191069 816372334 /nfs/dbraw/zinc/37/23/34/816372334.db2.gz IRUQLKKVLYDKDX-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191069 816372341 /nfs/dbraw/zinc/37/23/41/816372341.db2.gz IRUQLKKVLYDKDX-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@]23CCC[NH2+]C3)C1(C)C ZINC001222191793 816372892 /nfs/dbraw/zinc/37/28/92/816372892.db2.gz PCFXXFNHSQGATN-DOTOQJQBSA-N 2 1 262.441 3.197 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@]23CCC[NH2+]C3)C1(C)C ZINC001222191793 816372901 /nfs/dbraw/zinc/37/29/01/816372901.db2.gz PCFXXFNHSQGATN-DOTOQJQBSA-N 2 1 262.441 3.197 20 0 CGADMP FC1(F)CCC(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001222259736 816390577 /nfs/dbraw/zinc/39/05/77/816390577.db2.gz YBPCATHRYOHRAL-HNNXBMFYSA-N 2 1 286.410 3.278 20 0 CGADMP CC(C)(CC[N@@H+]1CCC[C@]2(CC[NH2+]2)C1)c1ccccc1 ZINC001222283098 816395476 /nfs/dbraw/zinc/39/54/76/816395476.db2.gz SMCKJZLZIPSWKS-SFHVURJKSA-N 2 1 272.436 3.182 20 0 CGADMP CC(C)(CC[N@H+]1CCC[C@]2(CC[NH2+]2)C1)c1ccccc1 ZINC001222283098 816395482 /nfs/dbraw/zinc/39/54/82/816395482.db2.gz SMCKJZLZIPSWKS-SFHVURJKSA-N 2 1 272.436 3.182 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)cc21 ZINC001222314073 816406055 /nfs/dbraw/zinc/40/60/55/816406055.db2.gz BMUBKNZYBKCZDE-LJQANCHMSA-N 2 1 297.446 3.286 20 0 CGADMP C[NH2+]Cc1ccc(-c2cc(C)c3[nH+]ccn3c2)cc1 ZINC001242992041 823201007 /nfs/dbraw/zinc/20/10/07/823201007.db2.gz KFLQFXNZOMLBLD-UHFFFAOYSA-N 2 1 251.333 3.029 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001222346773 816415572 /nfs/dbraw/zinc/41/55/72/816415572.db2.gz SIEPTIXMDQRBJL-ULQDDVLXSA-N 2 1 262.441 3.197 20 0 CGADMP c1ccc([C@@H]2C[N@H+](C[C@H]3CC=CCC3)CC23C[NH2+]C3)cc1 ZINC001222596457 816475047 /nfs/dbraw/zinc/47/50/47/816475047.db2.gz WDLUVIMBUJGGOZ-WMZOPIPTSA-N 2 1 282.431 3.032 20 0 CGADMP Clc1ccccc1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623894 816482641 /nfs/dbraw/zinc/48/26/41/816482641.db2.gz OUYFYZCSVNDWAV-IYBDPMFKSA-N 2 1 292.854 3.204 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CCC[NH2+]3)CC2)CC1 ZINC001226784755 817463206 /nfs/dbraw/zinc/46/32/06/817463206.db2.gz MUQGQTLWZHSGIE-JKSUJKDBSA-N 2 1 262.441 3.197 20 0 CGADMP CC(C)[NH+]1CC(Oc2ccc3ccccc3c2C[NH+](C)C)C1 ZINC001228440524 817906451 /nfs/dbraw/zinc/90/64/51/817906451.db2.gz DZNCAWQVOSWVCC-UHFFFAOYSA-N 2 1 298.430 3.373 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)cc1C ZINC001231485014 818108862 /nfs/dbraw/zinc/10/88/62/818108862.db2.gz GLOUBXTZYJRWLZ-FUHWJXTLSA-N 2 1 272.436 3.138 20 0 CGADMP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001232014923 818233566 /nfs/dbraw/zinc/23/35/66/818233566.db2.gz YHEWSXIKFHJKEA-KRWDZBQOSA-N 2 1 292.386 3.165 20 0 CGADMP CC[NH+](CC)Cc1ccccc1-c1cc(N)c(C)c[nH+]1 ZINC001243340740 823354073 /nfs/dbraw/zinc/35/40/73/823354073.db2.gz WYIHYZKVVJMJOZ-UHFFFAOYSA-N 2 1 269.392 3.481 20 0 CGADMP CCOC(=[NH2+])c1ccc(OC2CC[NH+](C3CC3)CC2)cc1 ZINC001234588413 818887782 /nfs/dbraw/zinc/88/77/82/818887782.db2.gz NWJINQKSQDAEMV-UHFFFAOYSA-N 2 1 288.391 3.054 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC3CC2(C[NH3+])C3)c(C)c1C ZINC001235007380 818978838 /nfs/dbraw/zinc/97/88/38/818978838.db2.gz NMTDLDSDVUSYIW-UHFFFAOYSA-N 2 1 272.436 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC3CC2(C[NH3+])C3)c(C)c1C ZINC001235007380 818978842 /nfs/dbraw/zinc/97/88/42/818978842.db2.gz NMTDLDSDVUSYIW-UHFFFAOYSA-N 2 1 272.436 3.152 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235007607 818979442 /nfs/dbraw/zinc/97/94/42/818979442.db2.gz OUNREHMDYCBNOS-DDKKJVIOSA-N 2 1 294.483 3.215 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031103 818983900 /nfs/dbraw/zinc/98/39/00/818983900.db2.gz CEYNLPQEICTYQF-SFHVURJKSA-N 2 1 270.420 3.140 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235033121 818984223 /nfs/dbraw/zinc/98/42/23/818984223.db2.gz UALVGXXFYBEJRH-GOSISDBHSA-N 2 1 272.436 3.085 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035135 818986587 /nfs/dbraw/zinc/98/65/87/818986587.db2.gz BJVJXLSYVUEZCV-KZNAEPCWSA-N 2 1 294.483 3.069 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1F ZINC001235047841 818992381 /nfs/dbraw/zinc/99/23/81/818992381.db2.gz WVYIXVKURDHJSO-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1F ZINC001235047841 818992387 /nfs/dbraw/zinc/99/23/87/818992387.db2.gz WVYIXVKURDHJSO-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@H+]2CCC23CC[NH2+]CC3)c2ccccc12 ZINC001235102421 819002142 /nfs/dbraw/zinc/00/21/42/819002142.db2.gz MEJNEHMCRVUMAR-UHFFFAOYSA-N 2 1 280.415 3.476 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c2cccccc1-2 ZINC001235116444 819009163 /nfs/dbraw/zinc/00/91/63/819009163.db2.gz WJODHUPSXPFVGN-GOSISDBHSA-N 2 1 266.388 3.119 20 0 CGADMP c1cc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c2cccccc1-2 ZINC001235116444 819009169 /nfs/dbraw/zinc/00/91/69/819009169.db2.gz WJODHUPSXPFVGN-GOSISDBHSA-N 2 1 266.388 3.119 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146194 819016833 /nfs/dbraw/zinc/01/68/33/819016833.db2.gz IYWYUHWSHROGSM-LJHODMEESA-N 2 1 286.463 3.196 20 0 CGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146194 819016839 /nfs/dbraw/zinc/01/68/39/819016839.db2.gz IYWYUHWSHROGSM-LJHODMEESA-N 2 1 286.463 3.196 20 0 CGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235154574 819018499 /nfs/dbraw/zinc/01/84/99/819018499.db2.gz MVSGVRTWTGRGFJ-GOSISDBHSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1O ZINC001235160766 819019736 /nfs/dbraw/zinc/01/97/36/819019736.db2.gz ZAQDWDSWDWQAJC-QGZVFWFLSA-N 2 1 288.435 3.055 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1C ZINC001235185439 819027514 /nfs/dbraw/zinc/02/75/14/819027514.db2.gz URIDGDHXKPAVLW-MSOLQXFVSA-N 2 1 286.463 3.270 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235208944 819036900 /nfs/dbraw/zinc/03/69/00/819036900.db2.gz CCEULOIRGYWVRW-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235208944 819036905 /nfs/dbraw/zinc/03/69/05/819036905.db2.gz CCEULOIRGYWVRW-ZACQAIPSSA-N 2 1 296.499 3.292 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001235247301 819047669 /nfs/dbraw/zinc/04/76/69/819047669.db2.gz FPFVBWKBUYXXAZ-QZTJIDSGSA-N 2 1 270.420 3.267 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001235247301 819047675 /nfs/dbraw/zinc/04/76/75/819047675.db2.gz FPFVBWKBUYXXAZ-QZTJIDSGSA-N 2 1 270.420 3.267 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249741 819048023 /nfs/dbraw/zinc/04/80/23/819048023.db2.gz WMQWCHOJSZYALW-WOJBJXKFSA-N 2 1 292.426 3.408 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249741 819048029 /nfs/dbraw/zinc/04/80/29/819048029.db2.gz WMQWCHOJSZYALW-WOJBJXKFSA-N 2 1 292.426 3.408 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235253091 819050088 /nfs/dbraw/zinc/05/00/88/819050088.db2.gz BUTFXASKGCYJIJ-JNXQLMTMSA-N 2 1 250.430 3.197 20 0 CGADMP c1ccc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254168 819050889 /nfs/dbraw/zinc/05/08/89/819050889.db2.gz BDKNZKMAFSBRFF-HKUYNNGSSA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254168 819050894 /nfs/dbraw/zinc/05/08/94/819050894.db2.gz BDKNZKMAFSBRFF-HKUYNNGSSA-N 2 1 278.399 3.147 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235284113 819061260 /nfs/dbraw/zinc/06/12/60/819061260.db2.gz JSTPLKJRWSBNEQ-REPLKXPHSA-N 2 1 278.399 3.051 20 0 CGADMP c1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235377139 819081239 /nfs/dbraw/zinc/08/12/39/819081239.db2.gz AQJROLLZVSOCSM-UXHICEINSA-N 2 1 292.426 3.266 20 0 CGADMP CC/C=C\CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427758 819094464 /nfs/dbraw/zinc/09/44/64/819094464.db2.gz SZPFVGDYBFZYGO-QCDWVSHVSA-N 2 1 264.457 3.444 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433192 819095947 /nfs/dbraw/zinc/09/59/47/819095947.db2.gz RQILIMUMXPHFDQ-UHFFFAOYSA-N 2 1 266.816 3.080 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC[NH3+])c1cccc2ccccc21 ZINC001235435243 819097949 /nfs/dbraw/zinc/09/79/49/819097949.db2.gz DVIDRMMYASCOPQ-AWEZNQCLSA-N 2 1 256.393 3.224 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+](C)CCC[NH3+])cc2)c1 ZINC001235435360 819098454 /nfs/dbraw/zinc/09/84/54/819098454.db2.gz LHOWYYSMFLYFIG-UHFFFAOYSA-N 2 1 268.404 3.443 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(Oc2ccccc2)cc1 ZINC001235435159 819098530 /nfs/dbraw/zinc/09/85/30/819098530.db2.gz BOPLLPQADLORAQ-UHFFFAOYSA-N 2 1 270.376 3.260 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC001235464271 819104830 /nfs/dbraw/zinc/10/48/30/819104830.db2.gz BRDFZBSDODKQPK-UHFFFAOYSA-N 2 1 287.234 3.486 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC001235464271 819104834 /nfs/dbraw/zinc/10/48/34/819104834.db2.gz BRDFZBSDODKQPK-UHFFFAOYSA-N 2 1 287.234 3.486 20 0 CGADMP CCCCOc1cccc(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC001235473856 819108396 /nfs/dbraw/zinc/10/83/96/819108396.db2.gz PXBMLIHNKRLPPR-UHFFFAOYSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1ccc2c(c1)C1(CC2)CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC001235608614 819125543 /nfs/dbraw/zinc/12/55/43/819125543.db2.gz RPWAXKPESQHOHG-QGZVFWFLSA-N 2 1 284.447 3.027 20 0 CGADMP Cc1cccc2c(C[N@@H+](C)CCC3CC[NH2+]CC3)c[nH]c21 ZINC001235712371 819148249 /nfs/dbraw/zinc/14/82/49/819148249.db2.gz ASXAZGVBZMWSPZ-UHFFFAOYSA-N 2 1 285.435 3.298 20 0 CGADMP c1ccc2cc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)ccc2c1 ZINC001235711503 819148391 /nfs/dbraw/zinc/14/83/91/819148391.db2.gz PYUOIIIJYFLSCK-UHFFFAOYSA-N 2 1 266.388 3.025 20 0 CGADMP c1ccc2cc(C[N@H+]3CCCC4(C[NH2+]C4)C3)ccc2c1 ZINC001235711503 819148395 /nfs/dbraw/zinc/14/83/95/819148395.db2.gz PYUOIIIJYFLSCK-UHFFFAOYSA-N 2 1 266.388 3.025 20 0 CGADMP Fc1ccc(F)c([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC001235712904 819148538 /nfs/dbraw/zinc/14/85/38/819148538.db2.gz DCUXHZQMLSBEPV-CXAGYDPISA-N 2 1 294.389 3.491 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235716925 819150497 /nfs/dbraw/zinc/15/04/97/819150497.db2.gz NCAPXZSZWOCAFV-UHFFFAOYSA-N 2 1 285.435 3.298 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC001235715982 819150617 /nfs/dbraw/zinc/15/06/17/819150617.db2.gz ZRTCILVMAWMFOB-DOTOQJQBSA-N 2 1 264.457 3.300 20 0 CGADMP Fc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235719768 819151532 /nfs/dbraw/zinc/15/15/32/819151532.db2.gz YNICTEUSWKSRAL-WMLDXEAASA-N 2 1 276.399 3.352 20 0 CGADMP Fc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235719766 819152038 /nfs/dbraw/zinc/15/20/38/819152038.db2.gz YNICTEUSWKSRAL-PBHICJAKSA-N 2 1 276.399 3.352 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@H]2C[NH3+])c(C)c1C ZINC001235724769 819153001 /nfs/dbraw/zinc/15/30/01/819153001.db2.gz IUCTXDKKLZEGBT-INIZCTEOSA-N 2 1 260.425 3.152 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@H]2C[NH3+])c(C)c1C ZINC001235724769 819153005 /nfs/dbraw/zinc/15/30/05/819153005.db2.gz IUCTXDKKLZEGBT-INIZCTEOSA-N 2 1 260.425 3.152 20 0 CGADMP COc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]3C[NH3+])c2)cc1 ZINC001235725508 819153929 /nfs/dbraw/zinc/15/39/29/819153929.db2.gz QFIAXLBHALYMAH-SFHVURJKSA-N 2 1 296.414 3.285 20 0 CGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@H]3C[NH3+])c2)cc1 ZINC001235725508 819153933 /nfs/dbraw/zinc/15/39/33/819153933.db2.gz QFIAXLBHALYMAH-SFHVURJKSA-N 2 1 296.414 3.285 20 0 CGADMP CC[N@H+](Cc1cccc(C)c1OC(C)C)C1CC[NH2+]CC1 ZINC001235759858 819161455 /nfs/dbraw/zinc/16/14/55/819161455.db2.gz CKEFTCIFBBJIGT-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP CC[N@@H+](Cc1cccc(C)c1OC(C)C)C1CC[NH2+]CC1 ZINC001235759858 819161459 /nfs/dbraw/zinc/16/14/59/819161459.db2.gz CKEFTCIFBBJIGT-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)C[C@@H]1CC[NH2+]C1 ZINC001235841979 819183086 /nfs/dbraw/zinc/18/30/86/819183086.db2.gz LCEPDILBZZWWLZ-CZVCLPBNSA-N 2 1 276.468 3.134 20 0 CGADMP Cc1cccc(CC[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001235841925 819183966 /nfs/dbraw/zinc/18/39/66/819183966.db2.gz JYDWHBGBNAMKBZ-UHFFFAOYSA-N 2 1 294.442 3.315 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)c2ccccc12 ZINC001235892076 819200697 /nfs/dbraw/zinc/20/06/97/819200697.db2.gz LJKZDWUXVSLYGY-ZBFHGGJFSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)c2ccccc12 ZINC001235892076 819200704 /nfs/dbraw/zinc/20/07/04/819200704.db2.gz LJKZDWUXVSLYGY-ZBFHGGJFSA-N 2 1 268.404 3.460 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235893131 819203762 /nfs/dbraw/zinc/20/37/62/819203762.db2.gz ROKFIEVGVJHUKG-RDTXWAMCSA-N 2 1 296.414 3.371 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235893131 819203768 /nfs/dbraw/zinc/20/37/68/819203768.db2.gz ROKFIEVGVJHUKG-RDTXWAMCSA-N 2 1 296.414 3.371 20 0 CGADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925169 819222753 /nfs/dbraw/zinc/22/27/53/819222753.db2.gz KBSAHJAGCKOKFU-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925169 819222759 /nfs/dbraw/zinc/22/27/59/819222759.db2.gz KBSAHJAGCKOKFU-AWEZNQCLSA-N 2 1 297.240 3.071 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235924902 819223001 /nfs/dbraw/zinc/22/30/01/819223001.db2.gz BAYGMONCZRDIEO-AWEZNQCLSA-N 2 1 282.815 3.052 20 0 CGADMP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235924902 819223004 /nfs/dbraw/zinc/22/30/04/819223004.db2.gz BAYGMONCZRDIEO-AWEZNQCLSA-N 2 1 282.815 3.052 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c2ccccc12 ZINC001235924969 819223103 /nfs/dbraw/zinc/22/31/03/819223103.db2.gz DAVDEYJNPAWTDH-INIZCTEOSA-N 2 1 268.404 3.461 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925367 819224675 /nfs/dbraw/zinc/22/46/75/819224675.db2.gz JMYJPTPAJBIHBG-HNNXBMFYSA-N 2 1 276.424 3.177 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCC[C@H]3CC[NH3+])ccc2c1 ZINC001235925610 819225057 /nfs/dbraw/zinc/22/50/57/819225057.db2.gz XLLANORXDUMGNW-KRWDZBQOSA-N 2 1 284.403 3.162 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccc2ccccc21 ZINC001235928901 819227608 /nfs/dbraw/zinc/22/76/08/819227608.db2.gz FIQAEZRLSPBXOR-KBAYOESNSA-N 2 1 294.442 3.485 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235929835 819228177 /nfs/dbraw/zinc/22/81/77/819228177.db2.gz UXEVPOYDDQMWLK-PMACEKPBSA-N 2 1 292.426 3.395 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235934390 819230876 /nfs/dbraw/zinc/23/08/76/819230876.db2.gz MZZAPRKNIBRQNF-ZBFHGGJFSA-N 2 1 276.399 3.005 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235938873 819233051 /nfs/dbraw/zinc/23/30/51/819233051.db2.gz MECHKJLAKXMLLQ-PMACEKPBSA-N 2 1 292.426 3.395 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235941030 819233795 /nfs/dbraw/zinc/23/37/95/819233795.db2.gz ULLQTBNLVVMSTI-ZIAGYGMSSA-N 2 1 286.444 3.251 20 0 CGADMP Cc1ccc([C@@]2(C)C[N@@H+](CCCCCC[NH3+])CCO2)cc1 ZINC001235948206 819237288 /nfs/dbraw/zinc/23/72/88/819237288.db2.gz KKMKQRSTHNFORK-GOSISDBHSA-N 2 1 290.451 3.062 20 0 CGADMP FC1(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC001235949723 819238961 /nfs/dbraw/zinc/23/89/61/819238961.db2.gz GOMCUOFJUCLRTP-AWEZNQCLSA-N 2 1 296.817 3.221 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CC2(C)CC[NH2+]CC2)c1 ZINC001235950117 819239521 /nfs/dbraw/zinc/23/95/21/819239521.db2.gz QDMKPQCSKMAXLF-KRWDZBQOSA-N 2 1 288.435 3.222 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)C[C@H]1CCC[NH2+]C1 ZINC001235950382 819239681 /nfs/dbraw/zinc/23/96/81/819239681.db2.gz DDVVWWNXSDYCTH-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956783 819244082 /nfs/dbraw/zinc/24/40/82/819244082.db2.gz IBEYFSFBIZWUJD-INIZCTEOSA-N 2 1 274.452 3.416 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235960666 819249000 /nfs/dbraw/zinc/24/90/00/819249000.db2.gz WRJQNRHKYRSTLX-HOTGVXAUSA-N 2 1 276.424 3.184 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235960666 819249004 /nfs/dbraw/zinc/24/90/04/819249004.db2.gz WRJQNRHKYRSTLX-HOTGVXAUSA-N 2 1 276.424 3.184 20 0 CGADMP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CCCCC[NH3+] ZINC001235961322 819249257 /nfs/dbraw/zinc/24/92/57/819249257.db2.gz FRPCFGGIVDVMIZ-HOTGVXAUSA-N 2 1 270.461 3.379 20 0 CGADMP FC1CC2(C1)CCC[N@@H+](CC[C@@H]1CCCC[NH2+]1)CC2 ZINC001235994745 819264190 /nfs/dbraw/zinc/26/41/90/819264190.db2.gz WSLQLLFHCXYUBB-PCKAHOCUSA-N 2 1 268.420 3.123 20 0 CGADMP CC1(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCCCC1 ZINC001236012509 819275005 /nfs/dbraw/zinc/27/50/05/819275005.db2.gz NGKMIVGYVLBWSZ-QUCCMNQESA-N 2 1 298.474 3.430 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001236072112 819301310 /nfs/dbraw/zinc/30/13/10/819301310.db2.gz OAKMFKJBSUFXDD-AWEZNQCLSA-N 2 1 266.388 3.092 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095642 819314423 /nfs/dbraw/zinc/31/44/23/819314423.db2.gz YAMCVMRAIGWECO-HNNXBMFYSA-N 2 1 268.404 3.332 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccccc1SC ZINC001236108083 819324138 /nfs/dbraw/zinc/32/41/38/819324138.db2.gz ILTYPFNGCUPMQG-AWEZNQCLSA-N 2 1 264.438 3.155 20 0 CGADMP C[N@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211811 819373526 /nfs/dbraw/zinc/37/35/26/819373526.db2.gz JJSKJNIZDKCORF-LSDHHAIUSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211811 819373534 /nfs/dbraw/zinc/37/35/34/819373534.db2.gz JJSKJNIZDKCORF-LSDHHAIUSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212385 819374219 /nfs/dbraw/zinc/37/42/19/819374219.db2.gz KPVSTWKVDBAKBY-HOCLYGCPSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212385 819374227 /nfs/dbraw/zinc/37/42/27/819374227.db2.gz KPVSTWKVDBAKBY-HOCLYGCPSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214593 819375673 /nfs/dbraw/zinc/37/56/73/819375673.db2.gz GKUVAYQVGORPIK-CABCVRRESA-N 2 1 276.355 3.274 20 0 CGADMP C[N@@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214593 819375679 /nfs/dbraw/zinc/37/56/79/819375679.db2.gz GKUVAYQVGORPIK-CABCVRRESA-N 2 1 276.355 3.274 20 0 CGADMP CCc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(CC)c1O ZINC001236214788 819378345 /nfs/dbraw/zinc/37/83/45/819378345.db2.gz FFBBHHCHSRYXCE-SJORKVTESA-N 2 1 290.451 3.219 20 0 CGADMP CCc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(CC)c1O ZINC001236214788 819378349 /nfs/dbraw/zinc/37/83/49/819378349.db2.gz FFBBHHCHSRYXCE-SJORKVTESA-N 2 1 290.451 3.219 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216444 819380622 /nfs/dbraw/zinc/38/06/22/819380622.db2.gz KVHUUTPQJVYGIN-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216444 819380626 /nfs/dbraw/zinc/38/06/26/819380626.db2.gz KVHUUTPQJVYGIN-CABCVRRESA-N 2 1 266.816 3.350 20 0 CGADMP C[N@H+](Cc1ccc2occc2c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217325 819381863 /nfs/dbraw/zinc/38/18/63/819381863.db2.gz NYHWGDAXASJJAL-HUUCEWRRSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1ccc2occc2c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217325 819381864 /nfs/dbraw/zinc/38/18/64/819381864.db2.gz NYHWGDAXASJJAL-HUUCEWRRSA-N 2 1 258.365 3.135 20 0 CGADMP C[N@@H+](Cc1ccc(-n2cccc2)cc1)C1(C)CC[NH2+]CC1 ZINC001236226428 819390954 /nfs/dbraw/zinc/39/09/54/819390954.db2.gz LKIIAHYSVQPEOA-UHFFFAOYSA-N 2 1 283.419 3.051 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236247657 819404426 /nfs/dbraw/zinc/40/44/26/819404426.db2.gz UZKMQDWHOVJXBO-QGZVFWFLSA-N 2 1 284.378 3.416 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236247657 819404430 /nfs/dbraw/zinc/40/44/30/819404430.db2.gz UZKMQDWHOVJXBO-QGZVFWFLSA-N 2 1 284.378 3.416 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001236308604 819418218 /nfs/dbraw/zinc/41/82/18/819418218.db2.gz UHMWOQBLZBYDPG-XGUBFFRZSA-N 2 1 286.410 3.132 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001236308604 819418222 /nfs/dbraw/zinc/41/82/22/819418222.db2.gz UHMWOQBLZBYDPG-XGUBFFRZSA-N 2 1 286.410 3.132 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236349657 819431358 /nfs/dbraw/zinc/43/13/58/819431358.db2.gz AJWVPTIANXMYGM-RWMBFGLXSA-N 2 1 280.378 3.414 20 0 CGADMP Fc1cccc(C[N@@H+](CCC2CC2)C2CC[NH2+]CC2)c1 ZINC001236401596 819451189 /nfs/dbraw/zinc/45/11/89/819451189.db2.gz PNMWAAXHNRMASE-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP CC[N@H+](Cc1ccc(CC(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236408017 819455681 /nfs/dbraw/zinc/45/56/81/819455681.db2.gz JSEDVUMUOFZPHI-GOSISDBHSA-N 2 1 274.452 3.317 20 0 CGADMP CC[N@H+](Cc1ccc(F)c(C2CC2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236410751 819457880 /nfs/dbraw/zinc/45/78/80/819457880.db2.gz KMUJCCAZIIJXSN-CQSZACIVSA-N 2 1 276.399 3.135 20 0 CGADMP CC[N@H+](Cc1cccc(C(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236412656 819458667 /nfs/dbraw/zinc/45/86/67/819458667.db2.gz XDQPQMRZYVJFPQ-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP CC(C)(C)C[N@@H+](C[C@H]1CC=CCC1)C1CC[NH2+]CC1 ZINC001236454476 819484653 /nfs/dbraw/zinc/48/46/53/819484653.db2.gz LUZNRVKZODCHIO-HNNXBMFYSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)[N@H+](Cc1ccc2c(c1)NCCC2)[C@@H]1CCC[NH2+]C1 ZINC001236471121 819490767 /nfs/dbraw/zinc/49/07/67/819490767.db2.gz VPDRTTZKEUCPIM-QGZVFWFLSA-N 2 1 287.451 3.007 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)NCCC2)[C@@H]1CCC[NH2+]C1 ZINC001236471121 819490771 /nfs/dbraw/zinc/49/07/71/819490771.db2.gz VPDRTTZKEUCPIM-QGZVFWFLSA-N 2 1 287.451 3.007 20 0 CGADMP CC(C)C[N@@H+](CCc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553189 819535098 /nfs/dbraw/zinc/53/50/98/819535098.db2.gz XTMSIDUXVBKODZ-IYARVYRRSA-N 2 1 274.452 3.457 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2ccccc2F)CC2CC2)CC1 ZINC001236551740 819535497 /nfs/dbraw/zinc/53/54/97/819535497.db2.gz MMIVOEUUCBKNLZ-QAQDUYKDSA-N 2 1 290.426 3.350 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)CC2Cc3ccccc3C2)CC1 ZINC001236551772 819535508 /nfs/dbraw/zinc/53/55/08/819535508.db2.gz NFQPWVHXOKLQMC-MXVIHJGJSA-N 2 1 298.474 3.383 20 0 CGADMP Cn1ccc2c1cccc2C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236597765 819548912 /nfs/dbraw/zinc/54/89/12/819548912.db2.gz DYNNAQYYWQAGPV-OAHLLOKOSA-N 2 1 297.446 3.142 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236601620 819550599 /nfs/dbraw/zinc/55/05/99/819550599.db2.gz NTJSUHBGFRQVPD-HNNXBMFYSA-N 2 1 290.426 3.407 20 0 CGADMP Cc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)sc1C ZINC001236636155 819557180 /nfs/dbraw/zinc/55/71/80/819557180.db2.gz ADFJYPDAQQAJAX-UHFFFAOYSA-N 2 1 278.465 3.471 20 0 CGADMP CCC(CC)[N@@H+](CCC12CC([NH3+])(C1)C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783270 819592844 /nfs/dbraw/zinc/59/28/44/819592844.db2.gz RNSMDXUXYFCFSQ-SVOYEFRLSA-N 3 1 293.499 3.018 20 0 CGADMP CC(C)(CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC001236819371 819605837 /nfs/dbraw/zinc/60/58/37/819605837.db2.gz NDUQSINMHDVMJR-BHYGNILZSA-N 2 1 272.436 3.023 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236821703 819608238 /nfs/dbraw/zinc/60/82/38/819608238.db2.gz WCKXVRHWYRNUIC-MWDXBVQZSA-N 2 1 264.457 3.428 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236832964 819611970 /nfs/dbraw/zinc/61/19/70/819611970.db2.gz XXUVHRMXFVFBKX-ZYSHUDEJSA-N 2 1 280.415 3.317 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833728 819613987 /nfs/dbraw/zinc/61/39/87/819613987.db2.gz CCWBFSRPSXLXPJ-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cccc2nc(C)ccc12)C[C@@H]1CC[NH2+]C1 ZINC001236842858 819619033 /nfs/dbraw/zinc/61/90/33/819619033.db2.gz BJBVRXZMWHSDKS-MRXNPFEDSA-N 2 1 297.446 3.365 20 0 CGADMP CCC[N@H+](Cc1cc(C(C)(C)C)c[nH]1)C[C@H]1CC[NH2+]C1 ZINC001236844956 819620523 /nfs/dbraw/zinc/62/05/23/819620523.db2.gz XVLRXHWTUDBVKH-AWEZNQCLSA-N 2 1 277.456 3.134 20 0 CGADMP CCC(CC)[N@@H+](C[C@@H]1CNCCO1)[C@H](C)c1ccccc1 ZINC001236858965 819624735 /nfs/dbraw/zinc/62/47/35/819624735.db2.gz FXPJFEALGRVURR-QAPCUYQASA-N 2 1 290.451 3.227 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(O)cc2ccccc21 ZINC001237076299 819659711 /nfs/dbraw/zinc/65/97/11/819659711.db2.gz LOCPTIAFFIRNEH-UHFFFAOYSA-N 2 1 286.419 3.319 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(O)cc2ccccc21 ZINC001237076299 819659716 /nfs/dbraw/zinc/65/97/16/819659716.db2.gz LOCPTIAFFIRNEH-UHFFFAOYSA-N 2 1 286.419 3.319 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237075464 819660229 /nfs/dbraw/zinc/66/02/29/819660229.db2.gz DHLGATMEEJJNOV-LJQANCHMSA-N 2 1 296.414 3.073 20 0 CGADMP Cc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237146680 819678476 /nfs/dbraw/zinc/67/84/76/819678476.db2.gz UTCIEKDYTWBDSE-QGZVFWFLSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237146680 819678479 /nfs/dbraw/zinc/67/84/79/819678479.db2.gz UTCIEKDYTWBDSE-QGZVFWFLSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1cccc(C)c1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155527 819682506 /nfs/dbraw/zinc/68/25/06/819682506.db2.gz RDQRRSPZNLCVPC-QGZVFWFLSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155527 819682508 /nfs/dbraw/zinc/68/25/08/819682508.db2.gz RDQRRSPZNLCVPC-QGZVFWFLSA-N 2 1 272.436 3.410 20 0 CGADMP c1ccc2c(c1)C[N@H+](C[C@H]1CC=CCC1)C21CC[NH2+]CC1 ZINC001237301205 819721289 /nfs/dbraw/zinc/72/12/89/819721289.db2.gz UHOWUYONSFRXNE-INIZCTEOSA-N 2 1 282.431 3.437 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237380704 819738303 /nfs/dbraw/zinc/73/83/03/819738303.db2.gz GYYMRYJRXOGXOD-FVQBIDKESA-N 2 1 276.424 3.156 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381615 819738763 /nfs/dbraw/zinc/73/87/63/819738763.db2.gz JFJPANNYVYTFEQ-RBUKOAKNSA-N 2 1 286.463 3.473 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237414412 819747252 /nfs/dbraw/zinc/74/72/52/819747252.db2.gz KQPRTDOJTSUKEJ-HOCLYGCPSA-N 2 1 286.444 3.475 20 0 CGADMP c1cc2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2o1 ZINC001237417786 819748244 /nfs/dbraw/zinc/74/82/44/819748244.db2.gz UZBBGXWSNGPBAM-GDBMZVCRSA-N 2 1 270.376 3.007 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001238104035 819933616 /nfs/dbraw/zinc/93/36/16/819933616.db2.gz QSQZICDZCPYISK-MRXNPFEDSA-N 2 1 277.371 3.324 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001238104035 819933619 /nfs/dbraw/zinc/93/36/19/819933619.db2.gz QSQZICDZCPYISK-MRXNPFEDSA-N 2 1 277.371 3.324 20 0 CGADMP c1[nH+]cn2c1cccc2C[NH+]1CCC(c2cccnc2)CC1 ZINC001238105939 819935402 /nfs/dbraw/zinc/93/54/02/819935402.db2.gz GSCTUCDGUIYAOF-UHFFFAOYSA-N 2 1 292.386 3.109 20 0 CGADMP Cc1ccc(Cl)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001238568825 820049250 /nfs/dbraw/zinc/04/92/50/820049250.db2.gz JLZKVQKWYNUGPD-MRXNPFEDSA-N 2 1 278.827 3.176 20 0 CGADMP Cc1cc(F)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1Cl ZINC001238776881 820115380 /nfs/dbraw/zinc/11/53/80/820115380.db2.gz ISYNLDFRHGABQT-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1cc(F)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1Cl ZINC001238776881 820115384 /nfs/dbraw/zinc/11/53/84/820115384.db2.gz ISYNLDFRHGABQT-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Cl ZINC001238776881 820115386 /nfs/dbraw/zinc/11/53/86/820115386.db2.gz ISYNLDFRHGABQT-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1Cl ZINC001238776881 820115391 /nfs/dbraw/zinc/11/53/91/820115391.db2.gz ISYNLDFRHGABQT-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP c1cc2c(cccc2-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)[nH]1 ZINC001240711612 821266837 /nfs/dbraw/zinc/26/68/37/821266837.db2.gz SKSMZUGQRNYYBM-UHFFFAOYSA-N 2 1 288.354 3.169 20 0 CGADMP CC[NH+](CC)Cc1cc(C2=CCC[N@@H+](C)C2)ccc1F ZINC001241571729 821958238 /nfs/dbraw/zinc/95/82/38/821958238.db2.gz FQJDYWJEBQHXCQ-UHFFFAOYSA-N 2 1 276.399 3.386 20 0 CGADMP C[C@H]([NH3+])c1ccccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241817623 822159889 /nfs/dbraw/zinc/15/98/89/822159889.db2.gz HKQCNVHCUTUGHI-HNNXBMFYSA-N 2 1 296.414 3.206 20 0 CGADMP C[C@@H]([NH3+])c1ccccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001242000069 822268763 /nfs/dbraw/zinc/26/87/63/822268763.db2.gz NUAHFPQGDGSPDL-OAHLLOKOSA-N 2 1 296.414 3.206 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC001335419239 936144378 /nfs/dbraw/zinc/14/43/78/936144378.db2.gz CZRUFJPNWRFMPK-KRWDZBQOSA-N 2 1 290.426 3.032 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001335419239 936144382 /nfs/dbraw/zinc/14/43/82/936144382.db2.gz CZRUFJPNWRFMPK-KRWDZBQOSA-N 2 1 290.426 3.032 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccnc(Cl)c2)C1 ZINC001340517709 936406709 /nfs/dbraw/zinc/40/67/09/936406709.db2.gz VLGWJDSNMNXONC-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC001340517709 936406715 /nfs/dbraw/zinc/40/67/15/936406715.db2.gz VLGWJDSNMNXONC-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)C[C@H]2C1 ZINC001343333031 936495457 /nfs/dbraw/zinc/49/54/57/936495457.db2.gz LSQQHVSEDZILGP-USXIJHARSA-N 2 1 297.446 3.330 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2c(F)cccc2Cl)CC1(C)C ZINC001348090190 936910573 /nfs/dbraw/zinc/91/05/73/936910573.db2.gz WTTQPGDYEMEMFV-GFCCVEGCSA-N 2 1 298.833 3.484 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC001350144372 936980650 /nfs/dbraw/zinc/98/06/50/936980650.db2.gz DBSUGCFKXVFBRA-XUWVNRHRSA-N 2 1 264.457 3.133 20 0 CGADMP CC(C)=CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001473435705 937199366 /nfs/dbraw/zinc/19/93/66/937199366.db2.gz BSJYZZCQLXRADJ-KDURUIRLSA-N 2 1 284.447 3.407 20 0 CGADMP COc1ccc2cc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)ccc2c1 ZINC000319952055 932034440 /nfs/dbraw/zinc/03/44/40/932034440.db2.gz PTHXJIXPYGCVRW-INIZCTEOSA-N 2 1 298.430 3.409 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C(C)C ZINC001461143471 937566501 /nfs/dbraw/zinc/56/65/01/937566501.db2.gz NPRNUMIBHQVQPA-HOTGVXAUSA-N 2 1 252.446 3.299 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C(C)C ZINC001461143471 937566504 /nfs/dbraw/zinc/56/65/04/937566504.db2.gz NPRNUMIBHQVQPA-HOTGVXAUSA-N 2 1 252.446 3.299 20 0 CGADMP CC[N@H+]1CCC[C@@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC001229622061 932180166 /nfs/dbraw/zinc/18/01/66/932180166.db2.gz LFOHMAQGVXNXKY-WMLDXEAASA-N 2 1 276.424 3.172 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001462326193 937632245 /nfs/dbraw/zinc/63/22/45/937632245.db2.gz JMUTZPDAOMLQIE-IRXDYDNUSA-N 2 1 286.463 3.113 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001307521990 932965716 /nfs/dbraw/zinc/96/57/16/932965716.db2.gz UQNBCFHXKDHYLJ-IAGOWNOFSA-N 2 1 298.515 3.491 20 0 CGADMP CCO[C@H](C[NH2+][C@H](C)CCC1CCCCC1)C[NH+](C)C ZINC001462575230 937651350 /nfs/dbraw/zinc/65/13/50/937651350.db2.gz YWZIZFSJRKDKQD-NVXWUHKLSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001308202505 933073207 /nfs/dbraw/zinc/07/32/07/933073207.db2.gz FMVMOMPCQZMISC-KURKYZTESA-N 2 1 296.499 3.290 20 0 CGADMP CC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001308261048 933083510 /nfs/dbraw/zinc/08/35/10/933083510.db2.gz PNMLJQPAUVUKCM-CVEARBPZSA-N 2 1 260.425 3.112 20 0 CGADMP CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001308422445 933108960 /nfs/dbraw/zinc/10/89/60/933108960.db2.gz KHABETORERGZIW-LSDHHAIUSA-N 2 1 275.440 3.454 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001308433718 933110309 /nfs/dbraw/zinc/11/03/09/933110309.db2.gz ONTHFGIJXVXMCH-CVEARBPZSA-N 2 1 264.457 3.443 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001308433718 933110311 /nfs/dbraw/zinc/11/03/11/933110311.db2.gz ONTHFGIJXVXMCH-CVEARBPZSA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001308553113 933130570 /nfs/dbraw/zinc/13/05/70/933130570.db2.gz HCIGSXYQCFXQKT-DRRXZNNHSA-N 2 1 264.457 3.131 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2NC)C1 ZINC001308594720 933139707 /nfs/dbraw/zinc/13/97/07/933139707.db2.gz QJMDQBZUIYATPL-INIZCTEOSA-N 2 1 289.467 3.200 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2NC)C1 ZINC001308594720 933139710 /nfs/dbraw/zinc/13/97/10/933139710.db2.gz QJMDQBZUIYATPL-INIZCTEOSA-N 2 1 289.467 3.200 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001308814268 933181656 /nfs/dbraw/zinc/18/16/56/933181656.db2.gz AJNCPOIJZLHFTF-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001308814268 933181659 /nfs/dbraw/zinc/18/16/59/933181659.db2.gz AJNCPOIJZLHFTF-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC001308847120 933189452 /nfs/dbraw/zinc/18/94/52/933189452.db2.gz BKUOLLDBFPJTBQ-HUUCEWRRSA-N 2 1 286.529 3.474 20 0 CGADMP Cc1c(Cl)cccc1CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001308904791 933201072 /nfs/dbraw/zinc/20/10/72/933201072.db2.gz UQNBPVITLCODMQ-HOCLYGCPSA-N 2 1 278.827 3.174 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC001329022977 933467563 /nfs/dbraw/zinc/46/75/63/933467563.db2.gz IJCRFZUBKWATNY-MFKMUULPSA-N 2 1 284.856 3.465 20 0 CGADMP CC[N@H+]1CCC[C@H](CN[C@@H](CC(C)C)c2ccccn2)C1 ZINC001319199293 933841852 /nfs/dbraw/zinc/84/18/52/933841852.db2.gz VIOKNQORHXIHNJ-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC001319199293 933841863 /nfs/dbraw/zinc/84/18/63/933841863.db2.gz VIOKNQORHXIHNJ-AEFFLSMTSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1c[nH+]c2ccccc2c1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001319656104 933910077 /nfs/dbraw/zinc/91/00/77/933910077.db2.gz XBONZCMVMVTAQE-HNNXBMFYSA-N 2 1 283.419 3.107 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]CCSCc1ccccc1 ZINC001321264058 934169658 /nfs/dbraw/zinc/16/96/58/934169658.db2.gz UVDUHURLIHOECR-SJORKVTESA-N 2 1 292.492 3.382 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(=C4CCC4)CC3)[C@H]2C1 ZINC001474757062 934177813 /nfs/dbraw/zinc/17/78/13/934177813.db2.gz PCMZIEGVHKXSFZ-RYQLBKOJSA-N 2 1 274.452 3.339 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCc1ccc(F)cc1 ZINC001323565318 934408767 /nfs/dbraw/zinc/40/87/67/934408767.db2.gz AUGGLTLWJADFRA-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCc1ccc(F)cc1 ZINC001323565318 934408772 /nfs/dbraw/zinc/40/87/72/934408772.db2.gz AUGGLTLWJADFRA-GJZGRUSLSA-N 2 1 278.415 3.078 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC001323977231 934443916 /nfs/dbraw/zinc/44/39/16/934443916.db2.gz NBJRLMPNWZFSRU-PBHICJAKSA-N 2 1 288.435 3.004 20 0 CGADMP Clc1cscc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326202950 934958694 /nfs/dbraw/zinc/95/86/94/934958694.db2.gz XZJFQGNPVJRSFD-UHFFFAOYSA-N 2 1 284.856 3.367 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccn2C2CC2)CC1 ZINC001326430978 934978543 /nfs/dbraw/zinc/97/85/43/934978543.db2.gz REYPITXZAHIMOI-UHFFFAOYSA-N 2 1 275.440 3.033 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC001473689791 937817812 /nfs/dbraw/zinc/81/78/12/937817812.db2.gz OGNXCXMMIBUKJN-BHYGNILZSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC001473689791 937817813 /nfs/dbraw/zinc/81/78/13/937817813.db2.gz OGNXCXMMIBUKJN-BHYGNILZSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC001473689791 937817814 /nfs/dbraw/zinc/81/78/14/937817814.db2.gz OGNXCXMMIBUKJN-BHYGNILZSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC001473689791 937817815 /nfs/dbraw/zinc/81/78/15/937817815.db2.gz OGNXCXMMIBUKJN-BHYGNILZSA-N 2 1 266.473 3.332 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC001328086528 935115378 /nfs/dbraw/zinc/11/53/78/935115378.db2.gz SVMLTRSKRSEASI-SJLPKXTDSA-N 2 1 289.467 3.114 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001328493342 935143390 /nfs/dbraw/zinc/14/33/90/935143390.db2.gz RTVNCKNMTVTPLP-KRWDZBQOSA-N 2 1 288.410 3.279 20 0 CGADMP Cc1cccc(C)c1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001328687689 935159192 /nfs/dbraw/zinc/15/91/92/935159192.db2.gz BLUTXXPUPMJSMS-HNNXBMFYSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC001329068962 935182929 /nfs/dbraw/zinc/18/29/29/935182929.db2.gz WIHOJYANUXIIKX-WMZOPIPTSA-N 2 1 274.452 3.248 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC001332362396 935462312 /nfs/dbraw/zinc/46/23/12/935462312.db2.gz WSZYDWSBKURKRM-DZGCQCFKSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC001333560291 935547006 /nfs/dbraw/zinc/54/70/06/935547006.db2.gz SXRREQMUKOURSE-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC001333560291 935547009 /nfs/dbraw/zinc/54/70/09/935547009.db2.gz SXRREQMUKOURSE-IUODEOHRSA-N 2 1 293.842 3.044 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC001333814028 936067786 /nfs/dbraw/zinc/06/77/86/936067786.db2.gz LRONUNXDLIYFRD-AEFFLSMTSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC001333814028 936067791 /nfs/dbraw/zinc/06/77/91/936067791.db2.gz LRONUNXDLIYFRD-AEFFLSMTSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC001333814028 936067796 /nfs/dbraw/zinc/06/77/96/936067796.db2.gz LRONUNXDLIYFRD-AEFFLSMTSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC001333814028 936067800 /nfs/dbraw/zinc/06/78/00/936067800.db2.gz LRONUNXDLIYFRD-AEFFLSMTSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC001333814030 936068254 /nfs/dbraw/zinc/06/82/54/936068254.db2.gz LRONUNXDLIYFRD-SJLPKXTDSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC001333814030 936068258 /nfs/dbraw/zinc/06/82/58/936068258.db2.gz LRONUNXDLIYFRD-SJLPKXTDSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC001333814030 936068262 /nfs/dbraw/zinc/06/82/62/936068262.db2.gz LRONUNXDLIYFRD-SJLPKXTDSA-N 2 1 274.452 3.118 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1C ZINC001333814030 936068266 /nfs/dbraw/zinc/06/82/66/936068266.db2.gz LRONUNXDLIYFRD-SJLPKXTDSA-N 2 1 274.452 3.118 20 0 CGADMP FC12C[C@@H]3C[C@H](C1)CC([NH2+][C@H]1CC[N@H+]4CCC[C@@H]4C1)(C3)C2 ZINC001334326275 936097100 /nfs/dbraw/zinc/09/71/00/936097100.db2.gz AUGXLIIKBQEEMM-VBYWAMKTSA-N 2 1 292.442 3.264 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001334355397 936098838 /nfs/dbraw/zinc/09/88/38/936098838.db2.gz CGLLNQAZNJPHNZ-ULQDDVLXSA-N 2 1 290.426 3.296 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)CC1(C)C ZINC001334889867 936120537 /nfs/dbraw/zinc/12/05/37/936120537.db2.gz REIAOSDKCSYMQL-INIZCTEOSA-N 2 1 290.451 3.308 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2C1 ZINC001335584974 936154593 /nfs/dbraw/zinc/15/45/93/936154593.db2.gz ZDJGDNFNYMSJIM-BRWVUGGUSA-N 2 1 264.457 3.229 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)nc2)C1 ZINC001335972804 936170304 /nfs/dbraw/zinc/17/03/04/936170304.db2.gz OTWWTZHDTNWENJ-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)nc2)C1 ZINC001335972804 936170307 /nfs/dbraw/zinc/17/03/07/936170307.db2.gz OTWWTZHDTNWENJ-OLZOCXBDSA-N 2 1 281.831 3.118 20 0 CGADMP Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336887681 936225541 /nfs/dbraw/zinc/22/55/41/936225541.db2.gz FAUQHEZBYHSRGH-KSZLIROESA-N 2 1 272.436 3.157 20 0 CGADMP COc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC001473998625 937834527 /nfs/dbraw/zinc/83/45/27/937834527.db2.gz CTUCBZMRRAETEL-INIZCTEOSA-N 2 1 296.430 3.290 20 0 CGADMP CC1(C)CCC[C@@H](C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001474005029 937834938 /nfs/dbraw/zinc/83/49/38/937834938.db2.gz LPVVJLQYUVPPAT-IAGOWNOFSA-N 2 1 296.499 3.029 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001474435275 937859538 /nfs/dbraw/zinc/85/95/38/937859538.db2.gz CZTDTXCIOFKCLL-QZWWFDLISA-N 2 1 294.483 3.044 20 0 CGADMP CO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C12CCC2 ZINC001474536855 937865712 /nfs/dbraw/zinc/86/57/12/937865712.db2.gz FXGHGOSWLXBIDH-YESZJQIVSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC001474558647 937867200 /nfs/dbraw/zinc/86/72/00/937867200.db2.gz VJEGBTHUEVWRKY-GOEBONIOSA-N 2 1 260.425 3.035 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC001474558647 937867201 /nfs/dbraw/zinc/86/72/01/937867201.db2.gz VJEGBTHUEVWRKY-GOEBONIOSA-N 2 1 260.425 3.035 20 0 CGADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2)[C@H]1c1cccs1 ZINC001515203087 938005068 /nfs/dbraw/zinc/00/50/68/938005068.db2.gz BITJMGPYRYPICJ-BBRMVZONSA-N 2 1 287.432 3.060 20 0 CGADMP C[C@@H]1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C[C@@H](C)O1 ZINC001549766478 938159103 /nfs/dbraw/zinc/15/91/03/938159103.db2.gz GEQOONCXBAQSNI-IIDMSEBBSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@@H]1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C[C@@H](C)O1 ZINC001549766478 938159104 /nfs/dbraw/zinc/15/91/04/938159104.db2.gz GEQOONCXBAQSNI-IIDMSEBBSA-N 2 1 294.483 3.329 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@H+]2C[C@H]2C[NH2+]C[C@@H]2C)sc1C ZINC001550352861 938166162 /nfs/dbraw/zinc/16/61/62/938166162.db2.gz GYQNXCXAKZTJKU-GLQYFDAESA-N 2 1 293.480 3.142 20 0 CGADMP Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H]2C[NH2+]C[C@@H]2C)sc1C ZINC001550352861 938166163 /nfs/dbraw/zinc/16/61/63/938166163.db2.gz GYQNXCXAKZTJKU-GLQYFDAESA-N 2 1 293.480 3.142 20 0 CGADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1[C@H](c2ccccc2)C1(F)F ZINC001550349305 938166219 /nfs/dbraw/zinc/16/62/19/938166219.db2.gz NVBXDYVKEJFOIW-CABCVRRESA-N 2 1 294.389 3.109 20 0 CGADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1[C@H](c2ccccc2)C1(F)F ZINC001550349305 938166220 /nfs/dbraw/zinc/16/62/20/938166220.db2.gz NVBXDYVKEJFOIW-CABCVRRESA-N 2 1 294.389 3.109 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001550543038 938167612 /nfs/dbraw/zinc/16/76/12/938167612.db2.gz DYHHWYGZDVQHBQ-HUUCEWRRSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001550543038 938167613 /nfs/dbraw/zinc/16/76/13/938167613.db2.gz DYHHWYGZDVQHBQ-HUUCEWRRSA-N 2 1 280.362 3.008 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001550543038 938167614 /nfs/dbraw/zinc/16/76/14/938167614.db2.gz DYHHWYGZDVQHBQ-HUUCEWRRSA-N 2 1 280.362 3.008 20 0 CGADMP CC(C)Oc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551400496 938181443 /nfs/dbraw/zinc/18/14/43/938181443.db2.gz AZBHENRVWFMMIT-MOPGFXCFSA-N 2 1 296.414 3.188 20 0 CGADMP CC[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552080784 938189959 /nfs/dbraw/zinc/18/99/59/938189959.db2.gz CVDHWPSONKPZEL-SIXLDLHFSA-N 2 1 258.409 3.115 20 0 CGADMP CCO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001552080820 938189995 /nfs/dbraw/zinc/18/99/95/938189995.db2.gz LGJFTUASMCHEAB-XLAORIBOSA-N 2 1 288.435 3.027 20 0 CGADMP FC1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC001552080742 938190038 /nfs/dbraw/zinc/19/00/38/938190038.db2.gz XGAUAZGEUKFJDO-SJJHQCBESA-N 2 1 276.399 3.350 20 0 CGADMP FC(F)(F)[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001552262237 938190565 /nfs/dbraw/zinc/19/05/65/938190565.db2.gz DGGCIPTWQBDIJK-SYQHCUMBSA-N 2 1 284.325 3.020 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC001552414419 938192080 /nfs/dbraw/zinc/19/20/80/938192080.db2.gz YCKZWRLYDVNMCK-NQYYFHDYSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC001552414419 938192081 /nfs/dbraw/zinc/19/20/81/938192081.db2.gz YCKZWRLYDVNMCK-NQYYFHDYSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)[C@@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC001559688820 938232951 /nfs/dbraw/zinc/23/29/51/938232951.db2.gz DTIAAJSTLHKTJL-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@@H]1CCCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC001559688820 938232952 /nfs/dbraw/zinc/23/29/52/938232952.db2.gz DTIAAJSTLHKTJL-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)[C@@H]1CCCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC001559688820 938232953 /nfs/dbraw/zinc/23/29/53/938232953.db2.gz DTIAAJSTLHKTJL-CVEARBPZSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001560312098 938252260 /nfs/dbraw/zinc/25/22/60/938252260.db2.gz TYVPRTFCNIVSHV-WCVJEAGWSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(CC3CCC3)c2)C1 ZINC001560326615 938253336 /nfs/dbraw/zinc/25/33/36/938253336.db2.gz GDMYCHKIOIGIDE-IBGZPJMESA-N 2 1 286.463 3.461 20 0 CGADMP CCCc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001560500223 938260706 /nfs/dbraw/zinc/26/07/06/938260706.db2.gz GZSIEUOLGNXHCC-KRWDZBQOSA-N 2 1 274.452 3.461 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](CC)CCC[NH+](C)C ZINC001560811283 938277035 /nfs/dbraw/zinc/27/70/35/938277035.db2.gz DWZIZHPONHORKI-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814089 938277628 /nfs/dbraw/zinc/27/76/28/938277628.db2.gz OXFAAXIKYQHVBB-PKOBYXMFSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814089 938277629 /nfs/dbraw/zinc/27/76/29/938277629.db2.gz OXFAAXIKYQHVBB-PKOBYXMFSA-N 2 1 284.447 3.091 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001560864049 938280547 /nfs/dbraw/zinc/28/05/47/938280547.db2.gz MHDKSKCYKKKAGV-LVQVYYBASA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001560864049 938280550 /nfs/dbraw/zinc/28/05/50/938280550.db2.gz MHDKSKCYKKKAGV-LVQVYYBASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001560948254 938285771 /nfs/dbraw/zinc/28/57/71/938285771.db2.gz RJZFLJHKNCHFNH-UUAJXVIYSA-N 2 1 264.457 3.085 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039044 938290990 /nfs/dbraw/zinc/29/09/90/938290990.db2.gz HIGUVTAOWBSACN-HOTGVXAUSA-N 2 1 266.473 3.498 20 0 CGADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039071 938291045 /nfs/dbraw/zinc/29/10/45/938291045.db2.gz HUSPGOFWADBIKG-GJZGRUSLSA-N 2 1 254.462 3.332 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001257207743 960426867 /nfs/dbraw/zinc/42/68/67/960426867.db2.gz GFSOXUQTMYIKBS-KRWDZBQOSA-N 2 1 276.399 3.275 20 0 CGADMP C(CSC1CCCCC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001574796404 960470545 /nfs/dbraw/zinc/47/05/45/960470545.db2.gz WJQBWAQPSYGYDT-OAHLLOKOSA-N 2 1 282.497 3.317 20 0 CGADMP C(C1CCCCCC1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001574801530 962321328 /nfs/dbraw/zinc/32/13/28/962321328.db2.gz QPTDNQVIZBURNR-MRXNPFEDSA-N 2 1 250.430 3.175 20 0 CGADMP CC(C)[N@@H+](CC1CCC1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001575690325 962411700 /nfs/dbraw/zinc/41/17/00/962411700.db2.gz IMJMOFNWKPCLFP-KOMQPUFPSA-N 2 1 252.446 3.262 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC001575656079 962413316 /nfs/dbraw/zinc/41/33/16/962413316.db2.gz TYZZAMYDMJMIEU-CRAIPNDOSA-N 2 1 289.467 3.229 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC001576503656 962465824 /nfs/dbraw/zinc/46/58/24/962465824.db2.gz UUFBQFWXWKVTCJ-INIZCTEOSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC001576503656 962465836 /nfs/dbraw/zinc/46/58/36/962465836.db2.gz UUFBQFWXWKVTCJ-INIZCTEOSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576623994 962474162 /nfs/dbraw/zinc/47/41/62/962474162.db2.gz OAQFKLRFZHCZNB-MISMHTLLSA-N 2 1 272.436 3.380 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[NH2+]1 ZINC001576671273 962481599 /nfs/dbraw/zinc/48/15/99/962481599.db2.gz WMESOFWFAJNBHZ-YPMHNXCESA-N 2 1 291.826 3.094 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001576850872 962489510 /nfs/dbraw/zinc/48/95/10/962489510.db2.gz WXPXEMUAMYALBW-DZOHQFGASA-N 2 1 272.436 3.300 20 0 CGADMP CCC(CC)(C[NH3+])C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001577050819 962505536 /nfs/dbraw/zinc/50/55/36/962505536.db2.gz GIZVVMBCHBDJLG-LBPRGKRZSA-N 2 1 296.352 3.118 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001576998589 962507719 /nfs/dbraw/zinc/50/77/19/962507719.db2.gz ZJQPXEWSJFLUIF-LZWOXQAQSA-N 2 1 252.446 3.405 20 0 CGADMP CCC(CC)(C[NH3+])C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC001577050805 962508552 /nfs/dbraw/zinc/50/85/52/962508552.db2.gz FQHRHNNYRKOVTE-UHFFFAOYSA-N 2 1 298.858 3.416 20 0 CGADMP CCC(CC)(C[NH3+])C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001577050818 962511793 /nfs/dbraw/zinc/51/17/93/962511793.db2.gz GIZVVMBCHBDJLG-GFCCVEGCSA-N 2 1 296.352 3.118 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001577374784 962533144 /nfs/dbraw/zinc/53/31/44/962533144.db2.gz GCPHFHUSIDBHHC-HRCADAONSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(C)c(/C=C/C[N@H+]2CC[C@H](CC[NH3+])C2)cc1C ZINC001579571342 962637045 /nfs/dbraw/zinc/63/70/45/962637045.db2.gz CIYKUBYWSHCFIQ-BDUNBXCCSA-N 2 1 272.436 3.296 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001579678674 962652489 /nfs/dbraw/zinc/65/24/89/962652489.db2.gz MYSHLJCPKJGTRW-WMZOPIPTSA-N 2 1 272.436 3.174 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)c1F ZINC001579761300 962670191 /nfs/dbraw/zinc/67/01/91/962670191.db2.gz YSWXKJAGHLYFHQ-WBVHZDCISA-N 2 1 276.399 3.085 20 0 CGADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001580024065 962684974 /nfs/dbraw/zinc/68/49/74/962684974.db2.gz OOWODHOLVDAXAO-RFBLXINOSA-N 2 1 298.421 3.132 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001580157044 962699828 /nfs/dbraw/zinc/69/98/28/962699828.db2.gz DDRGIPMVJWEWMZ-NXWXRZEISA-N 2 1 284.447 3.384 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)cc2ccccc21)C1CC1 ZINC001580229241 962707698 /nfs/dbraw/zinc/70/76/98/962707698.db2.gz KTZHVWQPYUEUJJ-INIZCTEOSA-N 2 1 274.795 3.320 20 0 CGADMP Clc1cncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000621248220 349481205 /nfs/dbraw/zinc/48/12/05/349481205.db2.gz ZNOAMTCKJCBEPM-UHFFFAOYSA-N 2 1 293.842 3.043 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125158356 187172539 /nfs/dbraw/zinc/17/25/39/187172539.db2.gz XITCONNGJNIAKC-SZMVWBNQSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125158356 187172540 /nfs/dbraw/zinc/17/25/40/187172540.db2.gz XITCONNGJNIAKC-SZMVWBNQSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125158356 187172541 /nfs/dbraw/zinc/17/25/41/187172541.db2.gz XITCONNGJNIAKC-SZMVWBNQSA-N 2 1 272.436 3.349 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000621728124 349569810 /nfs/dbraw/zinc/56/98/10/349569810.db2.gz BZEGJOVJRJLBTD-BBRMVZONSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000621728124 349569812 /nfs/dbraw/zinc/56/98/12/349569812.db2.gz BZEGJOVJRJLBTD-BBRMVZONSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000621728124 349569814 /nfs/dbraw/zinc/56/98/14/349569814.db2.gz BZEGJOVJRJLBTD-BBRMVZONSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000621728124 349569816 /nfs/dbraw/zinc/56/98/16/349569816.db2.gz BZEGJOVJRJLBTD-BBRMVZONSA-N 2 1 280.481 3.473 20 0 CGADMP C[C@H]1CCCCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705073 398271872 /nfs/dbraw/zinc/27/18/72/398271872.db2.gz HAHHADNIVXBMEB-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337775529 214255945 /nfs/dbraw/zinc/25/59/45/214255945.db2.gz XHULNRXIAQTKHC-IRXDYDNUSA-N 2 1 260.425 3.241 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cc3ccccc3s1)C2 ZINC000622003451 349621162 /nfs/dbraw/zinc/62/11/62/349621162.db2.gz ADFLNPAZWHQNPI-CJNGLKHVSA-N 2 1 272.417 3.215 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cc3ccccc3s1)C2 ZINC000622003451 349621165 /nfs/dbraw/zinc/62/11/65/349621165.db2.gz ADFLNPAZWHQNPI-CJNGLKHVSA-N 2 1 272.417 3.215 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000335511775 212197695 /nfs/dbraw/zinc/19/76/95/212197695.db2.gz JMHCBWBTKPPMRL-PWSUYJOCSA-N 2 1 270.779 3.272 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337988865 214345783 /nfs/dbraw/zinc/34/57/83/214345783.db2.gz OSGCWGPESLBQGD-SOUVJXGZSA-N 2 1 258.425 3.225 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337988865 214345786 /nfs/dbraw/zinc/34/57/86/214345786.db2.gz OSGCWGPESLBQGD-SOUVJXGZSA-N 2 1 258.425 3.225 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423468464 529453529 /nfs/dbraw/zinc/45/35/29/529453529.db2.gz OKFNMXKUUKOZBX-HKUYNNGSSA-N 2 1 298.430 3.306 20 0 CGADMP CC[C@@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000412980104 529471357 /nfs/dbraw/zinc/47/13/57/529471357.db2.gz WBPYTYHLXCHQQO-SFHVURJKSA-N 2 1 290.451 3.008 20 0 CGADMP CC[C@@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000412980104 529471359 /nfs/dbraw/zinc/47/13/59/529471359.db2.gz WBPYTYHLXCHQQO-SFHVURJKSA-N 2 1 290.451 3.008 20 0 CGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423286505 529501444 /nfs/dbraw/zinc/50/14/44/529501444.db2.gz HSBUAYKXRMPCEC-LLVKDONJSA-N 2 1 260.381 3.383 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125947433 187206708 /nfs/dbraw/zinc/20/67/08/187206708.db2.gz REIOQOOMCZKCKL-HOTGVXAUSA-N 2 1 290.451 3.466 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1OC(F)F ZINC000423286679 529589411 /nfs/dbraw/zinc/58/94/11/529589411.db2.gz ICLDNTAPFFUKQV-NSHDSACASA-N 2 1 272.339 3.066 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(F)cn1 ZINC000352683138 529610426 /nfs/dbraw/zinc/61/04/26/529610426.db2.gz JEPNRGYFVLOHAW-DOMZBBRYSA-N 2 1 290.386 3.103 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cc(C)ccc1OC ZINC000423265803 529611594 /nfs/dbraw/zinc/61/15/94/529611594.db2.gz DADKLEJCWVSPSD-CABCVRRESA-N 2 1 264.413 3.028 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086519 349757357 /nfs/dbraw/zinc/75/73/57/349757357.db2.gz WZFJVBUAPFARNV-UHFFFAOYSA-N 2 1 297.324 3.080 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(C)C ZINC000623338859 349782610 /nfs/dbraw/zinc/78/26/10/349782610.db2.gz YTMBBSGDHFUDPX-BPUTZDHNSA-N 2 1 252.446 3.129 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCOC1 ZINC000436285580 529614322 /nfs/dbraw/zinc/61/43/22/529614322.db2.gz OVMLCVWNGISRJB-SZMVWBNQSA-N 2 1 294.483 3.188 20 0 CGADMP COc1cc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Cl ZINC000623358467 349788337 /nfs/dbraw/zinc/78/83/37/349788337.db2.gz BJHVKTGBEHCKBY-CABCVRRESA-N 2 1 294.826 3.065 20 0 CGADMP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623359350 349788359 /nfs/dbraw/zinc/78/83/59/349788359.db2.gz MXHUZLCFPRQDEP-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623359350 349788362 /nfs/dbraw/zinc/78/83/62/349788362.db2.gz MXHUZLCFPRQDEP-HNNXBMFYSA-N 2 1 276.424 3.048 20 0 CGADMP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623369836 349791677 /nfs/dbraw/zinc/79/16/77/349791677.db2.gz SNORIUFFSVPXNV-MRXNPFEDSA-N 2 1 290.451 3.145 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623351377 349786050 /nfs/dbraw/zinc/78/60/50/349786050.db2.gz NNSYEJNKCZICDJ-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1F ZINC000423380412 529659876 /nfs/dbraw/zinc/65/98/76/529659876.db2.gz MNTSPYGMHVNUIA-ZOWXZIJZSA-N 2 1 250.361 3.007 20 0 CGADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000423442086 529663251 /nfs/dbraw/zinc/66/32/51/529663251.db2.gz UUDIQBSQJAOUKU-GIFSMMMISA-N 2 1 285.218 3.252 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1F ZINC000423373812 529671979 /nfs/dbraw/zinc/67/19/79/529671979.db2.gz JOPAIVARVBMZBL-GMXABZIVSA-N 2 1 268.351 3.146 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623374866 349793488 /nfs/dbraw/zinc/79/34/88/349793488.db2.gz SRTJNDVHUIKBAL-YMAMQOFZSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623377986 349794151 /nfs/dbraw/zinc/79/41/51/349794151.db2.gz NZEDRXUFGVBOQG-QGZVFWFLSA-N 2 1 274.452 3.308 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000273157559 192060304 /nfs/dbraw/zinc/06/03/04/192060304.db2.gz YZPCEWITWHOBRY-SFHVURJKSA-N 2 1 283.419 3.380 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000273157559 192060306 /nfs/dbraw/zinc/06/03/06/192060306.db2.gz YZPCEWITWHOBRY-SFHVURJKSA-N 2 1 283.419 3.380 20 0 CGADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401809 349799394 /nfs/dbraw/zinc/79/93/94/349799394.db2.gz PGZOGGCZLLLTEG-ZBFHGGJFSA-N 2 1 290.451 3.176 20 0 CGADMP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405358 349800548 /nfs/dbraw/zinc/80/05/48/349800548.db2.gz DEUFWTNIGPKVTG-MRXNPFEDSA-N 2 1 290.451 3.090 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623428236 349805591 /nfs/dbraw/zinc/80/55/91/349805591.db2.gz CYROLQFXWVVTIL-QLFBSQMISA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623429529 349806593 /nfs/dbraw/zinc/80/65/93/349806593.db2.gz HYQLITGVMRWYMH-HIFRSBDPSA-N 2 1 252.446 3.418 20 0 CGADMP CCc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000423273113 529722277 /nfs/dbraw/zinc/72/22/77/529722277.db2.gz ZVQUZRYRMDFTOF-RYUDHWBXSA-N 2 1 254.443 3.335 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414185514 529728907 /nfs/dbraw/zinc/72/89/07/529728907.db2.gz OUHOPLOQYFTUSV-OCCSQVGLSA-N 2 1 295.496 3.396 20 0 CGADMP CCc1nc2c(s1)[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)CCC2 ZINC000423257856 529747654 /nfs/dbraw/zinc/74/76/54/529747654.db2.gz AIQOSNRWGRFXMC-RYUDHWBXSA-N 2 1 281.469 3.046 20 0 CGADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc(C)c1O ZINC000623504308 349822231 /nfs/dbraw/zinc/82/22/31/349822231.db2.gz IYTPBPKBNGUDJA-INIZCTEOSA-N 2 1 290.451 3.014 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)c1ccccc1 ZINC000295064103 199326808 /nfs/dbraw/zinc/32/68/08/199326808.db2.gz QLOJJSZZGQNUML-RLHTVVPMSA-N 2 1 272.436 3.393 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1(C)C ZINC000623551650 349832153 /nfs/dbraw/zinc/83/21/53/349832153.db2.gz BBMSRNBUEOVLAQ-KFWWJZLASA-N 2 1 296.499 3.431 20 0 CGADMP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000623656826 349858655 /nfs/dbraw/zinc/85/86/55/349858655.db2.gz CPHWQFAMDQJHOJ-LSDHHAIUSA-N 2 1 278.415 3.251 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623656898 349858674 /nfs/dbraw/zinc/85/86/74/349858674.db2.gz FDPIKUUMUACEDP-UAGQMJEPSA-N 2 1 264.457 3.300 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623655177 349856977 /nfs/dbraw/zinc/85/69/77/349856977.db2.gz QIRUROLDZIABTI-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000623655893 349857177 /nfs/dbraw/zinc/85/71/77/349857177.db2.gz ICLFDFDTYSXCIB-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000623655893 349857180 /nfs/dbraw/zinc/85/71/80/349857180.db2.gz ICLFDFDTYSXCIB-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000623853742 349897133 /nfs/dbraw/zinc/89/71/33/349897133.db2.gz GIMUGANANXONFN-FUHWJXTLSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCCO1 ZINC000623864123 349899359 /nfs/dbraw/zinc/89/93/59/349899359.db2.gz HBDWXARMQGFSAB-IKGGRYGDSA-N 2 1 282.472 3.046 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000038328256 344955533 /nfs/dbraw/zinc/95/55/33/344955533.db2.gz AQUSKRWALVNRRM-GFCCVEGCSA-N 2 1 260.406 3.072 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000040620628 344963979 /nfs/dbraw/zinc/96/39/79/344963979.db2.gz IMCFRBJCBANGBK-MRXNPFEDSA-N 2 1 260.425 3.123 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040622712 344964275 /nfs/dbraw/zinc/96/42/75/344964275.db2.gz PIIXPUWYXGMNBM-FAEJEUNOSA-N 2 1 272.436 3.253 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000040623280 344965241 /nfs/dbraw/zinc/96/52/41/344965241.db2.gz LBRUJCWHTSJRMV-KRWDZBQOSA-N 2 1 260.425 3.123 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000084946364 345743531 /nfs/dbraw/zinc/74/35/31/345743531.db2.gz OISMQVDQSGVMQH-CZUORRHYSA-N 2 1 260.425 3.296 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000081516511 345711576 /nfs/dbraw/zinc/71/15/76/345711576.db2.gz IPRDLJNJPSEVJP-OKZBNKHCSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000081516511 345711579 /nfs/dbraw/zinc/71/15/79/345711579.db2.gz IPRDLJNJPSEVJP-OKZBNKHCSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000081516511 345711583 /nfs/dbraw/zinc/71/15/83/345711583.db2.gz IPRDLJNJPSEVJP-OKZBNKHCSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000081516511 345711586 /nfs/dbraw/zinc/71/15/86/345711586.db2.gz IPRDLJNJPSEVJP-OKZBNKHCSA-N 2 1 296.499 3.245 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000089214457 345767044 /nfs/dbraw/zinc/76/70/44/345767044.db2.gz QCSZUYSORNKSDE-NUJGCVRESA-N 2 1 288.410 3.420 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](CNCc2cccc(Cl)c2F)C1 ZINC000125131139 346015842 /nfs/dbraw/zinc/01/58/42/346015842.db2.gz VXBXYPKJCKKROF-LBPRGKRZSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000125131139 346015846 /nfs/dbraw/zinc/01/58/46/346015846.db2.gz VXBXYPKJCKKROF-LBPRGKRZSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000125131139 346015849 /nfs/dbraw/zinc/01/58/49/346015849.db2.gz VXBXYPKJCKKROF-LBPRGKRZSA-N 2 1 284.806 3.299 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000128100455 346037492 /nfs/dbraw/zinc/03/74/92/346037492.db2.gz RMJSHFMQODLYCC-UHFFFAOYSA-N 2 1 284.403 3.046 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000129033546 346046581 /nfs/dbraw/zinc/04/65/81/346046581.db2.gz PJBZNHZWRCEZBJ-PBHICJAKSA-N 2 1 284.403 3.030 20 0 CGADMP Cc1cc(C)c([C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000131715098 346067434 /nfs/dbraw/zinc/06/74/34/346067434.db2.gz ZTVBCRVADKMKDF-JYJNAYRXSA-N 2 1 260.425 3.342 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000133027789 346075228 /nfs/dbraw/zinc/07/52/28/346075228.db2.gz DMGAMKABYVKDBR-OAHLLOKOSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000172831142 346231078 /nfs/dbraw/zinc/23/10/78/346231078.db2.gz MEHMYZGOUYJDTQ-HNNXBMFYSA-N 2 1 293.480 3.210 20 0 CGADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000172831142 346231080 /nfs/dbraw/zinc/23/10/80/346231080.db2.gz MEHMYZGOUYJDTQ-HNNXBMFYSA-N 2 1 293.480 3.210 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000193735135 346269276 /nfs/dbraw/zinc/26/92/76/346269276.db2.gz AAJNIQLVZVWCRN-AWEZNQCLSA-N 2 1 266.816 3.080 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000252125550 346389907 /nfs/dbraw/zinc/38/99/07/346389907.db2.gz LJDUGUHUCAMLPH-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000311466006 346474035 /nfs/dbraw/zinc/47/40/35/346474035.db2.gz XDCYMLZKKZPPML-KEYYUXOJSA-N 2 1 258.409 3.166 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000311698337 346474522 /nfs/dbraw/zinc/47/45/22/346474522.db2.gz LUBBTAAQERIOOX-WBVHZDCISA-N 2 1 262.441 3.326 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000311698337 346474525 /nfs/dbraw/zinc/47/45/25/346474525.db2.gz LUBBTAAQERIOOX-WBVHZDCISA-N 2 1 262.441 3.326 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000311698334 346474774 /nfs/dbraw/zinc/47/47/74/346474774.db2.gz LUBBTAAQERIOOX-DOTOQJQBSA-N 2 1 262.441 3.326 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000311698334 346474775 /nfs/dbraw/zinc/47/47/75/346474775.db2.gz LUBBTAAQERIOOX-DOTOQJQBSA-N 2 1 262.441 3.326 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000401795874 346592627 /nfs/dbraw/zinc/59/26/27/346592627.db2.gz YQWZUBHEXNXFNA-QGZVFWFLSA-N 2 1 283.419 3.365 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000401778858 346592815 /nfs/dbraw/zinc/59/28/15/346592815.db2.gz VAUUWLZYUFIYBY-UHFFFAOYSA-N 2 1 284.190 3.059 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(F)c1 ZINC000624120217 349976151 /nfs/dbraw/zinc/97/61/51/349976151.db2.gz UMXCBXMCGJMVNL-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(F)c1 ZINC000624120217 349976154 /nfs/dbraw/zinc/97/61/54/349976154.db2.gz UMXCBXMCGJMVNL-ZIAGYGMSSA-N 2 1 294.414 3.217 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000624120659 349976923 /nfs/dbraw/zinc/97/69/23/349976923.db2.gz DOVZTHIXBMTIQD-OIISXLGYSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000624119766 349977306 /nfs/dbraw/zinc/97/73/06/349977306.db2.gz JBHQBYMFBVPJPT-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1cncs1 ZINC000128638994 187381819 /nfs/dbraw/zinc/38/18/19/187381819.db2.gz UHVJHLPXJDHVSM-CQSZACIVSA-N 2 1 289.448 3.316 20 0 CGADMP C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)c1cncs1 ZINC000128638994 187381820 /nfs/dbraw/zinc/38/18/20/187381820.db2.gz UHVJHLPXJDHVSM-CQSZACIVSA-N 2 1 289.448 3.316 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CC2 ZINC000624121004 349978076 /nfs/dbraw/zinc/97/80/76/349978076.db2.gz LMJOSCUWXYEBMI-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000624122529 349981787 /nfs/dbraw/zinc/98/17/87/349981787.db2.gz UBONHGIWYAFMBF-OIISXLGYSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000624123957 349982547 /nfs/dbraw/zinc/98/25/47/349982547.db2.gz USSALYUKKLVZDD-KSSFIOAISA-N 2 1 288.435 3.091 20 0 CGADMP CCC[N@@H+](CCCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000339411206 215154094 /nfs/dbraw/zinc/15/40/94/215154094.db2.gz VLPZNYBEGKAEPL-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)o1 ZINC000357828638 233013201 /nfs/dbraw/zinc/01/32/01/233013201.db2.gz ABKQXUMDYCLTLH-CQSZACIVSA-N 2 1 264.413 3.361 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339499381 215210995 /nfs/dbraw/zinc/21/09/95/215210995.db2.gz WPSOTYQOCJTHTF-UXLLHSPISA-N 2 1 278.415 3.377 20 0 CGADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339499381 215210998 /nfs/dbraw/zinc/21/09/98/215210998.db2.gz WPSOTYQOCJTHTF-UXLLHSPISA-N 2 1 278.415 3.377 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000358134229 233062721 /nfs/dbraw/zinc/06/27/21/233062721.db2.gz AKVJSUPYKVYYCR-RISCZKNCSA-N 2 1 284.806 3.094 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000358083973 233055633 /nfs/dbraw/zinc/05/56/33/233055633.db2.gz LJAWBUCEXRAHGO-NKHLHKDFSA-N 2 1 287.451 3.242 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000358381581 233121316 /nfs/dbraw/zinc/12/13/16/233121316.db2.gz MHKUPBLUQOOMCI-KCQAQPDRSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000358381581 233121320 /nfs/dbraw/zinc/12/13/20/233121320.db2.gz MHKUPBLUQOOMCI-KCQAQPDRSA-N 2 1 264.388 3.267 20 0 CGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000352006107 219286575 /nfs/dbraw/zinc/28/65/75/219286575.db2.gz SRLLIDOZJYWOBL-HOTGVXAUSA-N 2 1 270.436 3.323 20 0 CGADMP Fc1ccccc1C[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359197788 233278639 /nfs/dbraw/zinc/27/86/39/233278639.db2.gz BNDMDLMSEOHPPS-UHFFFAOYSA-N 2 1 276.399 3.180 20 0 CGADMP c1ccc([C@@H]2CSCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359210236 233279520 /nfs/dbraw/zinc/27/95/20/233279520.db2.gz BHPDMCYMRLEMNM-KRWDZBQOSA-N 2 1 290.476 3.166 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1COC(C)(C)C1 ZINC000626063997 350255390 /nfs/dbraw/zinc/25/53/90/350255390.db2.gz YLHVHFPVMHOGFA-QGZVFWFLSA-N 2 1 290.451 3.138 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000352123499 219328407 /nfs/dbraw/zinc/32/84/07/219328407.db2.gz OOMYJMBHJWQSEC-OAGGEKHMSA-N 2 1 290.451 3.033 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000352123499 219328409 /nfs/dbraw/zinc/32/84/09/219328409.db2.gz OOMYJMBHJWQSEC-OAGGEKHMSA-N 2 1 290.451 3.033 20 0 CGADMP C[C@]1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCS1 ZINC000628190778 350433159 /nfs/dbraw/zinc/43/31/59/350433159.db2.gz QBXRVUBXJLPTHK-BHYGNILZSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCS1 ZINC000628190778 350433164 /nfs/dbraw/zinc/43/31/64/350433164.db2.gz QBXRVUBXJLPTHK-BHYGNILZSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCS1 ZINC000628190778 350433168 /nfs/dbraw/zinc/43/31/68/350433168.db2.gz QBXRVUBXJLPTHK-BHYGNILZSA-N 2 1 294.508 3.221 20 0 CGADMP C[C@]1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCS1 ZINC000628190778 350433170 /nfs/dbraw/zinc/43/31/70/350433170.db2.gz QBXRVUBXJLPTHK-BHYGNILZSA-N 2 1 294.508 3.221 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628205171 350439607 /nfs/dbraw/zinc/43/96/07/350439607.db2.gz DBLKMCONDMNWKB-HNNXBMFYSA-N 2 1 271.408 3.283 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCCS2)C[C@@H]1C ZINC000628182643 350426138 /nfs/dbraw/zinc/42/61/38/350426138.db2.gz CJDFVHHMKCMYTK-SOUVJXGZSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CCCS2)C[C@@H]1C ZINC000628182643 350426139 /nfs/dbraw/zinc/42/61/39/350426139.db2.gz CJDFVHHMKCMYTK-SOUVJXGZSA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CCCS2)C[C@@H]1C ZINC000628182643 350426141 /nfs/dbraw/zinc/42/61/41/350426141.db2.gz CJDFVHHMKCMYTK-SOUVJXGZSA-N 2 1 270.486 3.077 20 0 CGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2[nH]ccc2c1 ZINC000628184047 350427727 /nfs/dbraw/zinc/42/77/27/350427727.db2.gz XUGHYTAWQVWTPB-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2[nH]ccc2c1 ZINC000628184047 350427730 /nfs/dbraw/zinc/42/77/30/350427730.db2.gz XUGHYTAWQVWTPB-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2[nH]ccc2c1 ZINC000628184047 350427735 /nfs/dbraw/zinc/42/77/35/350427735.db2.gz XUGHYTAWQVWTPB-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2[nH]ccc2c1 ZINC000628184047 350427737 /nfs/dbraw/zinc/42/77/37/350427737.db2.gz XUGHYTAWQVWTPB-QGZVFWFLSA-N 2 1 285.435 3.474 20 0 CGADMP C[C@@]1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCS1 ZINC000628184549 350428520 /nfs/dbraw/zinc/42/85/20/350428520.db2.gz PTRZPLUHRZJXDX-HOTGVXAUSA-N 2 1 282.497 3.080 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC(F)(F)C1 ZINC000628339623 350505488 /nfs/dbraw/zinc/50/54/88/350505488.db2.gz RSCPWHMHOCFLGU-TZMCWYRMSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC(F)(F)C1 ZINC000628339623 350505490 /nfs/dbraw/zinc/50/54/90/350505490.db2.gz RSCPWHMHOCFLGU-TZMCWYRMSA-N 2 1 286.410 3.417 20 0 CGADMP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628425560 350536444 /nfs/dbraw/zinc/53/64/44/350536444.db2.gz ORAWUWXPKPGKOK-HOTGVXAUSA-N 2 1 260.425 3.112 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc2c1 ZINC000629540477 350706838 /nfs/dbraw/zinc/70/68/38/350706838.db2.gz PNGZIJSUAQVZJI-DAYGRLMNSA-N 2 1 297.446 3.348 20 0 CGADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629561339 350714154 /nfs/dbraw/zinc/71/41/54/350714154.db2.gz IMYCPXNHTBIVGX-KBPBESRZSA-N 2 1 292.389 3.416 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1F ZINC000629495770 350696932 /nfs/dbraw/zinc/69/69/32/350696932.db2.gz MGYWXZNBUKVBPX-OAHLLOKOSA-N 2 1 294.389 3.144 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000629509651 350699276 /nfs/dbraw/zinc/69/92/76/350699276.db2.gz GPGSCMFFSAPBGZ-CABCVRRESA-N 2 1 289.467 3.327 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC000263689168 535153078 /nfs/dbraw/zinc/15/30/78/535153078.db2.gz JOCIPJXBBWCYRU-UHFFFAOYSA-N 2 1 264.388 3.130 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC000263689168 535153083 /nfs/dbraw/zinc/15/30/83/535153083.db2.gz JOCIPJXBBWCYRU-UHFFFAOYSA-N 2 1 264.388 3.130 20 0 CGADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(F)c1 ZINC000631155838 350972340 /nfs/dbraw/zinc/97/23/40/350972340.db2.gz SPHBXEPGGWUCHX-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH2+]CCc2c[nH+]cn2C)cc1C ZINC000631180022 350980998 /nfs/dbraw/zinc/98/09/98/350980998.db2.gz LXLQZFFUZQBGCV-WAYWQWQTSA-N 2 1 283.419 3.191 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634677847 351563847 /nfs/dbraw/zinc/56/38/47/351563847.db2.gz AHQJNRNPEQOMLQ-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCCC34CC4)CC[NH2+]2)cc1 ZINC000634998227 351620828 /nfs/dbraw/zinc/62/08/28/351620828.db2.gz CISXYNOKPTVNGE-IXDOHACOSA-N 2 1 270.420 3.402 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)oc1C ZINC000635010356 351628433 /nfs/dbraw/zinc/62/84/33/351628433.db2.gz JXJQLDTYOBTCNT-OCCSQVGLSA-N 2 1 264.413 3.325 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1F ZINC000635011853 351629645 /nfs/dbraw/zinc/62/96/45/351629645.db2.gz PSKONXVAOKLCID-OLZOCXBDSA-N 2 1 264.388 3.255 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000123583986 187100144 /nfs/dbraw/zinc/10/01/44/187100144.db2.gz SJNNZCHFMPFVMR-AWEZNQCLSA-N 2 1 272.392 3.302 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000271492470 191172059 /nfs/dbraw/zinc/17/20/59/191172059.db2.gz PCRKTASPYFIKEP-MBZIKMLFSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]1C[C@H](c2cccnc2)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000366002331 234143959 /nfs/dbraw/zinc/14/39/59/234143959.db2.gz UXJHHHFWHFYFFK-FUHWJXTLSA-N 2 1 287.451 3.341 20 0 CGADMP C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000366002331 234143964 /nfs/dbraw/zinc/14/39/64/234143964.db2.gz UXJHHHFWHFYFFK-FUHWJXTLSA-N 2 1 287.451 3.341 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000152788571 188043609 /nfs/dbraw/zinc/04/36/09/188043609.db2.gz SBUUFBOTMUAPGY-XEZPLFJOSA-N 2 1 294.414 3.043 20 0 CGADMP CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000152788571 188043610 /nfs/dbraw/zinc/04/36/10/188043610.db2.gz SBUUFBOTMUAPGY-XEZPLFJOSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CCC2)CC1 ZINC000368616189 234326308 /nfs/dbraw/zinc/32/63/08/234326308.db2.gz CJPNDYPTCFFDQQ-UHFFFAOYSA-N 2 1 261.413 3.238 20 0 CGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cnccn1 ZINC000154859090 188165936 /nfs/dbraw/zinc/16/59/36/188165936.db2.gz GAZPGAQVLPEQPY-HNNXBMFYSA-N 2 1 298.434 3.168 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cnccn1 ZINC000154859090 188165938 /nfs/dbraw/zinc/16/59/38/188165938.db2.gz GAZPGAQVLPEQPY-HNNXBMFYSA-N 2 1 298.434 3.168 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000369111032 234356675 /nfs/dbraw/zinc/35/66/75/234356675.db2.gz FFWBUDYPLZHJPB-AEFFLSMTSA-N 2 1 298.434 3.293 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(C)c2)cc1 ZINC000158522118 188379927 /nfs/dbraw/zinc/37/99/27/188379927.db2.gz AJUBOGZMFSKSQZ-AWEZNQCLSA-N 2 1 294.402 3.370 20 0 CGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000182255759 282995774 /nfs/dbraw/zinc/99/57/74/282995774.db2.gz ARRKAHSKCODBFX-GOSISDBHSA-N 2 1 288.410 3.420 20 0 CGADMP COc1ccc2cc(C[NH2+]CC3=CC[N@@H+](C)CC3)ccc2c1 ZINC000271872055 191380005 /nfs/dbraw/zinc/38/00/05/191380005.db2.gz YARFCURMISFLAO-UHFFFAOYSA-N 2 1 296.414 3.200 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1OC(F)F ZINC000271904039 191399847 /nfs/dbraw/zinc/39/98/47/191399847.db2.gz WDXPVUTWPDXBDD-LBPRGKRZSA-N 2 1 296.361 3.201 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000414181773 235356080 /nfs/dbraw/zinc/35/60/80/235356080.db2.gz MVJNRUZJLBGETR-LSDHHAIUSA-N 2 1 288.435 3.099 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414199615 235362063 /nfs/dbraw/zinc/36/20/63/235362063.db2.gz XOKNIFLURXORRR-BXUZGUMPSA-N 2 1 281.469 3.142 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cnccc1C(C)(C)C ZINC000414229668 235369802 /nfs/dbraw/zinc/36/98/02/235369802.db2.gz NDMPRAJZZDMQHW-CPUCHLNUSA-N 2 1 289.467 3.197 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414229668 235369804 /nfs/dbraw/zinc/36/98/04/235369804.db2.gz NDMPRAJZZDMQHW-CPUCHLNUSA-N 2 1 289.467 3.197 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000414201330 235362518 /nfs/dbraw/zinc/36/25/18/235362518.db2.gz YAJTXVOEEZYJKF-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000513682988 283135530 /nfs/dbraw/zinc/13/55/30/283135530.db2.gz DTHSHQOGQNGBNW-HRCADAONSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000127360374 138388964 /nfs/dbraw/zinc/38/89/64/138388964.db2.gz FSAIKIGXLJFCOT-QGZVFWFLSA-N 2 1 273.424 3.404 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000127360374 138388966 /nfs/dbraw/zinc/38/89/66/138388966.db2.gz FSAIKIGXLJFCOT-QGZVFWFLSA-N 2 1 273.424 3.404 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000130227828 138399631 /nfs/dbraw/zinc/39/96/31/138399631.db2.gz JNVUHIZFSODWJC-IACUBPJLSA-N 2 1 250.411 3.026 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000130227828 138399632 /nfs/dbraw/zinc/39/96/32/138399632.db2.gz JNVUHIZFSODWJC-IACUBPJLSA-N 2 1 250.411 3.026 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])c2ccccc2O1 ZINC000423159023 297287542 /nfs/dbraw/zinc/28/75/42/297287542.db2.gz OMMSFCYXWLVOFN-SYAUCNOPSA-N 2 1 274.408 3.148 20 0 CGADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423227647 236002783 /nfs/dbraw/zinc/00/27/83/236002783.db2.gz WMNXOPOAXZMYFP-IUCAKERBSA-N 2 1 261.196 3.381 20 0 CGADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423262957 236013642 /nfs/dbraw/zinc/01/36/42/236013642.db2.gz NXDYJSVXICKSMV-MOIQIXESSA-N 2 1 290.451 3.150 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)CCCO2 ZINC000423278948 236020052 /nfs/dbraw/zinc/02/00/52/236020052.db2.gz RNVMZEGWOXNQQY-HOTGVXAUSA-N 2 1 276.424 3.090 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H](Cc1ccccc1F)c1ccccc1)C1CC1 ZINC000423317878 236036447 /nfs/dbraw/zinc/03/64/47/236036447.db2.gz KTYUGNIEVRAILX-RTBURBONSA-N 2 1 298.405 3.436 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423373242 236053914 /nfs/dbraw/zinc/05/39/14/236053914.db2.gz RTKUSROQYKYBHV-SMDDNHRTSA-N 2 1 252.377 3.240 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])sc1Br ZINC000423455851 236074989 /nfs/dbraw/zinc/07/49/89/236074989.db2.gz DASYFDASPUAVFW-VGMNWLOBSA-N 2 1 291.258 3.205 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512949 236090747 /nfs/dbraw/zinc/09/07/47/236090747.db2.gz QVNWFPZFTSLGIE-PBFPGSCMSA-N 2 1 296.405 3.203 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccsc1Cl)CC[NH2+]CC2 ZINC000424386972 236159379 /nfs/dbraw/zinc/15/93/79/236159379.db2.gz XWTHKBLZODLGKY-LLVKDONJSA-N 2 1 284.856 3.366 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424288644 236143232 /nfs/dbraw/zinc/14/32/32/236143232.db2.gz KVSBBQYNMVRFHZ-CYBMUJFWSA-N 2 1 278.827 3.304 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)CC[N@H+]1C ZINC000294509680 199067293 /nfs/dbraw/zinc/06/72/93/199067293.db2.gz YQRYGBYPDMDPGI-ZTFGCOKTSA-N 2 1 272.436 3.253 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000336041229 212844776 /nfs/dbraw/zinc/84/47/76/212844776.db2.gz SYLIWASTFHJEJW-UKRRQHHQSA-N 2 1 276.399 3.146 20 0 CGADMP CSC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274933619 192848325 /nfs/dbraw/zinc/84/83/25/192848325.db2.gz RKSUPZVRATYAST-ZMSDIMECSA-N 2 1 292.492 3.238 20 0 CGADMP Cc1ccccc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000298549943 200467012 /nfs/dbraw/zinc/46/70/12/200467012.db2.gz UOJZYQSMACUSBL-UHFFFAOYSA-N 2 1 284.447 3.243 20 0 CGADMP COCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000178040915 189087716 /nfs/dbraw/zinc/08/77/16/189087716.db2.gz MOSJVGIKCMGSBX-INIZCTEOSA-N 2 1 290.451 3.056 20 0 CGADMP COCC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178360251 189109674 /nfs/dbraw/zinc/10/96/74/189109674.db2.gz VPVMXOGQRRGBSR-ZIAGYGMSSA-N 2 1 287.407 3.256 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000178755917 189142968 /nfs/dbraw/zinc/14/29/68/189142968.db2.gz KDQLCPXDCIRVAO-AWEZNQCLSA-N 2 1 276.424 3.163 20 0 CGADMP COCc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000179223743 189178749 /nfs/dbraw/zinc/17/87/49/189178749.db2.gz JTEUWMYAWZGQLX-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000179223743 189178750 /nfs/dbraw/zinc/17/87/50/189178750.db2.gz JTEUWMYAWZGQLX-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000179223743 189178751 /nfs/dbraw/zinc/17/87/51/189178751.db2.gz JTEUWMYAWZGQLX-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP COCc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000179223743 189178752 /nfs/dbraw/zinc/17/87/52/189178752.db2.gz JTEUWMYAWZGQLX-SFHVURJKSA-N 2 1 290.451 3.139 20 0 CGADMP Cc1cc(NC2CC[NH+](C3CCCCC3)CC2)nc(C)[nH+]1 ZINC000301454406 201014108 /nfs/dbraw/zinc/01/41/08/201014108.db2.gz BGMRCIRXIZZLIS-UHFFFAOYSA-N 2 1 288.439 3.302 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCOCc2ccccc2)CC[N@@H+]1C ZINC000182438953 189323404 /nfs/dbraw/zinc/32/34/04/189323404.db2.gz QSERMIABNCWEKC-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCCOCc2ccccc2)CC[N@H+]1C ZINC000182438953 189323405 /nfs/dbraw/zinc/32/34/05/189323405.db2.gz QSERMIABNCWEKC-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCCOCc2ccccc2)CC[NH+]1C ZINC000182438953 189323406 /nfs/dbraw/zinc/32/34/06/189323406.db2.gz QSERMIABNCWEKC-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCOCc2ccccc2)CC[NH+]1C ZINC000182438953 189323407 /nfs/dbraw/zinc/32/34/07/189323407.db2.gz QSERMIABNCWEKC-WMZOPIPTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221358 189350976 /nfs/dbraw/zinc/35/09/76/189350976.db2.gz OIXZJRVKWZBNHW-VXGBXAGGSA-N 2 1 280.362 3.100 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2ccoc21 ZINC000449091295 239173086 /nfs/dbraw/zinc/17/30/86/239173086.db2.gz PTYHJRJRJKIQJX-UHFFFAOYSA-N 2 1 269.348 3.118 20 0 CGADMP CCc1cc(NC2CC[NH+](C3CCCC3)CC2)nc(C)[nH+]1 ZINC000302124429 201351328 /nfs/dbraw/zinc/35/13/28/201351328.db2.gz ZDNXJRQBFWBRIF-UHFFFAOYSA-N 2 1 288.439 3.166 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000119933796 370724476 /nfs/dbraw/zinc/72/44/76/370724476.db2.gz WERKMNGOZCYSGA-ZFWWWQNUSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000537648072 376190485 /nfs/dbraw/zinc/19/04/85/376190485.db2.gz QXHLAFMBQDLIKB-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000537648072 376190488 /nfs/dbraw/zinc/19/04/88/376190488.db2.gz QXHLAFMBQDLIKB-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000537648072 376190490 /nfs/dbraw/zinc/19/04/90/376190490.db2.gz QXHLAFMBQDLIKB-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1C[C@H]1C ZINC000414110707 299344660 /nfs/dbraw/zinc/34/46/60/299344660.db2.gz OLZPIANWKMJYQD-MDLJMBGESA-N 2 1 264.457 3.274 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451150878 240230228 /nfs/dbraw/zinc/23/02/28/240230228.db2.gz XROULTWGOWTOAF-DMDPSCGWSA-N 2 1 289.345 3.243 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451150878 240230231 /nfs/dbraw/zinc/23/02/31/240230231.db2.gz XROULTWGOWTOAF-DMDPSCGWSA-N 2 1 289.345 3.243 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000120920844 370813636 /nfs/dbraw/zinc/81/36/36/370813636.db2.gz VVXROXWNYCTVAI-GOSISDBHSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000275472855 193051038 /nfs/dbraw/zinc/05/10/38/193051038.db2.gz HWIRGUZHUOJXQS-STQMWFEESA-N 2 1 289.810 3.450 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000275603138 193084469 /nfs/dbraw/zinc/08/44/69/193084469.db2.gz QGNZTLIZJJPREJ-KBAYOESNSA-N 2 1 295.430 3.371 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275709379 193109661 /nfs/dbraw/zinc/10/96/61/193109661.db2.gz YEVVHRXHNYOJNF-NVXWUHKLSA-N 2 1 283.419 3.056 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000121421893 370859998 /nfs/dbraw/zinc/85/99/98/370859998.db2.gz FERRHEDNUGXGEM-KXBFYZLASA-N 2 1 297.446 3.439 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Sc1ccccc1 ZINC000459416037 242099911 /nfs/dbraw/zinc/09/99/11/242099911.db2.gz CJYRXBITOMSWMG-AWEZNQCLSA-N 2 1 290.476 3.384 20 0 CGADMP CCCOc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459722840 242192165 /nfs/dbraw/zinc/19/21/65/242192165.db2.gz CCELZYYBVBPMLM-MRXNPFEDSA-N 2 1 290.451 3.297 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000459727997 242194537 /nfs/dbraw/zinc/19/45/37/242194537.db2.gz HWRSCAWZRWNPHK-CQSZACIVSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459797916 242238994 /nfs/dbraw/zinc/23/89/94/242238994.db2.gz XFTKNQCBGHGHQD-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP CC(C)c1cnc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459796070 242238400 /nfs/dbraw/zinc/23/84/00/242238400.db2.gz WBELKVSLXKISLK-CYBMUJFWSA-N 2 1 281.469 3.088 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462392746 242340257 /nfs/dbraw/zinc/34/02/57/242340257.db2.gz HAXBCNKGQYHPIU-FQEVSTJZSA-N 2 1 294.442 3.458 20 0 CGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(F)c1 ZINC000275945709 193170763 /nfs/dbraw/zinc/17/07/63/193170763.db2.gz ZTDQFGFOFIUIDF-OAHLLOKOSA-N 2 1 261.344 3.072 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC=C(C)C)[C@H](C)C1 ZINC000479298579 243096311 /nfs/dbraw/zinc/09/63/11/243096311.db2.gz FRFQYWRULNJDRR-SJORKVTESA-N 2 1 282.472 3.069 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479534923 243111231 /nfs/dbraw/zinc/11/12/31/243111231.db2.gz FWCVTTCZPVCASO-UWIFEVILSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000479534923 243111233 /nfs/dbraw/zinc/11/12/33/243111233.db2.gz FWCVTTCZPVCASO-UWIFEVILSA-N 2 1 290.426 3.392 20 0 CGADMP C[C@@H](C[NH2+][C@H](C)C[NH+]1CCCCCC1)CC1CCOCC1 ZINC000479581465 243112812 /nfs/dbraw/zinc/11/28/12/243112812.db2.gz ICNLIMHIYNWGSJ-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccc(OCCCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000480744800 243164060 /nfs/dbraw/zinc/16/40/60/243164060.db2.gz LGSFDOVMFIEZFT-SJLPKXTDSA-N 2 1 290.451 3.084 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000019843347 368771729 /nfs/dbraw/zinc/77/17/29/368771729.db2.gz GBKJNCXUMVIOEE-INIZCTEOSA-N 2 1 254.377 3.153 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000019843347 368771734 /nfs/dbraw/zinc/77/17/34/368771734.db2.gz GBKJNCXUMVIOEE-INIZCTEOSA-N 2 1 254.377 3.153 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000019905857 368779019 /nfs/dbraw/zinc/77/90/19/368779019.db2.gz PXSXTVWWTHWPDO-AWEZNQCLSA-N 2 1 278.440 3.324 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)C[NH+](C)C ZINC000491589201 243807430 /nfs/dbraw/zinc/80/74/30/243807430.db2.gz OTEIHOHWEWSBSS-SECBINFHSA-N 2 1 280.359 3.054 20 0 CGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649540 369097489 /nfs/dbraw/zinc/09/74/89/369097489.db2.gz YBXQMSMLDGNBCZ-JKSUJKDBSA-N 2 1 272.436 3.438 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000037786377 369113252 /nfs/dbraw/zinc/11/32/52/369113252.db2.gz RHTXTMIZBMIFME-UHFFFAOYSA-N 2 1 264.388 3.178 20 0 CGADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000051919393 369456807 /nfs/dbraw/zinc/45/68/07/369456807.db2.gz GTIJAJXMOCTMIS-INIZCTEOSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000053147911 369477289 /nfs/dbraw/zinc/47/72/89/369477289.db2.gz LBVOGNYZGOZRMX-XUJVJEKNSA-N 2 1 266.816 3.158 20 0 CGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129108324 370974131 /nfs/dbraw/zinc/97/41/31/370974131.db2.gz FWZNAHSMWAJWBQ-FMKPAKJESA-N 2 1 288.460 3.440 20 0 CGADMP C[NH+](C)CCc1ccc(CNc2cc[nH+]cc2Cl)cc1 ZINC000276261712 193261467 /nfs/dbraw/zinc/26/14/67/193261467.db2.gz FTRYBUFIIZQQQA-UHFFFAOYSA-N 2 1 289.810 3.451 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000068691279 369746222 /nfs/dbraw/zinc/74/62/22/369746222.db2.gz UYUFBDSYDWGQJD-QWHCGFSZSA-N 2 1 289.448 3.289 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000069720645 369768216 /nfs/dbraw/zinc/76/82/16/369768216.db2.gz LRFACBCKWVBMIJ-JTQLQIEISA-N 2 1 258.818 3.105 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC000069720645 369768218 /nfs/dbraw/zinc/76/82/18/369768218.db2.gz LRFACBCKWVBMIJ-JTQLQIEISA-N 2 1 258.818 3.105 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148726 369782662 /nfs/dbraw/zinc/78/26/62/369782662.db2.gz HHVHGFYHHQQYRF-INIZCTEOSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000070174972 369788129 /nfs/dbraw/zinc/78/81/29/369788129.db2.gz IGKPRMCTFWLCHJ-NEPJUHHUSA-N 2 1 289.810 3.452 20 0 CGADMP C1CC1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000081634928 369997921 /nfs/dbraw/zinc/99/79/21/369997921.db2.gz QZINAHNMQNNCKC-ZBFHGGJFSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000084986482 370016490 /nfs/dbraw/zinc/01/64/90/370016490.db2.gz VCMXJCAGLZRBGH-VNHYZAJKSA-N 2 1 250.430 3.028 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C12CCCC2 ZINC000085681381 370018773 /nfs/dbraw/zinc/01/87/73/370018773.db2.gz PHGJVBCZWCTJPV-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C12CCCC2 ZINC000085681381 370018779 /nfs/dbraw/zinc/01/87/79/370018779.db2.gz PHGJVBCZWCTJPV-DLBZAZTESA-N 2 1 294.483 3.188 20 0 CGADMP CCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090219706 370059592 /nfs/dbraw/zinc/05/95/92/370059592.db2.gz FBIZMICHAUQNHG-UHFFFAOYSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000090721519 370067311 /nfs/dbraw/zinc/06/73/11/370067311.db2.gz RXHQAVYYUUTAHL-SMDDNHRTSA-N 2 1 286.341 3.278 20 0 CGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000094970081 370169582 /nfs/dbraw/zinc/16/95/82/370169582.db2.gz WPPNVPAQQSUROB-LBPRGKRZSA-N 2 1 281.469 3.001 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)s2)[C@H](C)C1 ZINC000093638895 370151654 /nfs/dbraw/zinc/15/16/54/370151654.db2.gz YAOXWXFNHCXUJL-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)s2)[C@H](C)C1 ZINC000093638895 370151657 /nfs/dbraw/zinc/15/16/57/370151657.db2.gz YAOXWXFNHCXUJL-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)s2)[C@H](C)C1 ZINC000093638895 370151662 /nfs/dbraw/zinc/15/16/62/370151662.db2.gz YAOXWXFNHCXUJL-IUODEOHRSA-N 2 1 266.454 3.219 20 0 CGADMP CCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644638 370153498 /nfs/dbraw/zinc/15/34/98/370153498.db2.gz WNGLUAKRKIHTQP-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644638 370153504 /nfs/dbraw/zinc/15/35/04/370153504.db2.gz WNGLUAKRKIHTQP-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093644638 370153508 /nfs/dbraw/zinc/15/35/08/370153508.db2.gz WNGLUAKRKIHTQP-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644638 370153513 /nfs/dbraw/zinc/15/35/13/370153513.db2.gz WNGLUAKRKIHTQP-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093644631 370153768 /nfs/dbraw/zinc/15/37/68/370153768.db2.gz VNEMPINBGGTLJK-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093644631 370153772 /nfs/dbraw/zinc/15/37/72/370153772.db2.gz VNEMPINBGGTLJK-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644631 370153776 /nfs/dbraw/zinc/15/37/76/370153776.db2.gz VNEMPINBGGTLJK-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093644631 370153781 /nfs/dbraw/zinc/15/37/81/370153781.db2.gz VNEMPINBGGTLJK-NVXWUHKLSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)ccc2n1 ZINC000097862647 370255769 /nfs/dbraw/zinc/25/57/69/370255769.db2.gz MHNLHBBIPXKUFF-RHSMWYFYSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000110976395 370391385 /nfs/dbraw/zinc/39/13/85/370391385.db2.gz XKUQZOYKCJVGDW-UHFFFAOYSA-N 2 1 278.415 3.487 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000104309675 370343045 /nfs/dbraw/zinc/34/30/45/370343045.db2.gz WIMVMQLJLIGHSR-LLVKDONJSA-N 2 1 269.458 3.142 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)s1 ZINC000133290545 371241227 /nfs/dbraw/zinc/24/12/27/371241227.db2.gz QKJFRSIWJSKPQD-LLVKDONJSA-N 2 1 260.834 3.207 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000133290545 371241230 /nfs/dbraw/zinc/24/12/30/371241230.db2.gz QKJFRSIWJSKPQD-LLVKDONJSA-N 2 1 260.834 3.207 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000220205710 376207587 /nfs/dbraw/zinc/20/75/87/376207587.db2.gz JVAAYDOSNSOIIN-HZPDHXFCSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000145415303 371518057 /nfs/dbraw/zinc/51/80/57/371518057.db2.gz OCSOOLUZNBQVLV-CQSZACIVSA-N 2 1 291.826 3.490 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000149626368 371529188 /nfs/dbraw/zinc/52/91/88/371529188.db2.gz DYCATMNNKBJIIA-XNJGSVPQSA-N 2 1 274.383 3.029 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC000151100440 371568405 /nfs/dbraw/zinc/56/84/05/371568405.db2.gz LUJYQVYJJYLQFG-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC000151100440 371568410 /nfs/dbraw/zinc/56/84/10/371568410.db2.gz LUJYQVYJJYLQFG-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000151107146 371569664 /nfs/dbraw/zinc/56/96/64/371569664.db2.gz MRCDVZZCZFYTKY-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000286939266 371578007 /nfs/dbraw/zinc/57/80/07/371578007.db2.gz BAUWTZOKWCFZLM-OAHLLOKOSA-N 2 1 275.440 3.163 20 0 CGADMP COc1ccc([C@H]([NH2+]C[C@H](C)C[NH+](C)C)C2CC2)c(F)c1 ZINC000421861285 371685059 /nfs/dbraw/zinc/68/50/59/371685059.db2.gz VAJQVCCRAZITQB-YVEFUNNKSA-N 2 1 294.414 3.073 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(C3CCC3)s2)C[C@@H]1C[NH3+] ZINC000422561424 371750692 /nfs/dbraw/zinc/75/06/92/371750692.db2.gz LEBXXCJKHGZNDM-DYEKYZERSA-N 2 1 293.480 3.216 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(C3CCC3)s2)C[C@@H]1C[NH3+] ZINC000422561424 371750695 /nfs/dbraw/zinc/75/06/95/371750695.db2.gz LEBXXCJKHGZNDM-DYEKYZERSA-N 2 1 293.480 3.216 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1C)c1c[nH+]ccc1N ZINC000422730212 371773106 /nfs/dbraw/zinc/77/31/06/371773106.db2.gz LTUUKNHGNDMDBP-IHRRRGAJSA-N 2 1 261.413 3.361 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737273 371774586 /nfs/dbraw/zinc/77/45/86/371774586.db2.gz ZLWFPMOCNMVLMS-MOPGFXCFSA-N 2 1 296.414 3.235 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCC2CCCCC2)CC[N@H+]1C ZINC000153534371 371775165 /nfs/dbraw/zinc/77/51/65/371775165.db2.gz XROACDLEWUSTRO-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422735780 371775597 /nfs/dbraw/zinc/77/55/97/371775597.db2.gz WPNXUSANVQEUJA-HKUYNNGSSA-N 2 1 296.414 3.278 20 0 CGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422735781 371775817 /nfs/dbraw/zinc/77/58/17/371775817.db2.gz WPNXUSANVQEUJA-IEBWSBKVSA-N 2 1 296.414 3.278 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cn1 ZINC000353334495 220031746 /nfs/dbraw/zinc/03/17/46/220031746.db2.gz HHMFSYPLFGEGAO-INMHGKMJSA-N 2 1 291.414 3.134 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cn1 ZINC000353334495 220031749 /nfs/dbraw/zinc/03/17/49/220031749.db2.gz HHMFSYPLFGEGAO-INMHGKMJSA-N 2 1 291.414 3.134 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1csc2ccccc12 ZINC000337330978 214010400 /nfs/dbraw/zinc/01/04/00/214010400.db2.gz HFQDNRZEGOAYNU-UHFFFAOYSA-N 2 1 262.422 3.285 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1csc2ccccc12 ZINC000337330978 214010401 /nfs/dbraw/zinc/01/04/01/214010401.db2.gz HFQDNRZEGOAYNU-UHFFFAOYSA-N 2 1 262.422 3.285 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1F ZINC000152995409 371741218 /nfs/dbraw/zinc/74/12/18/371741218.db2.gz BULVSYSISWUODF-AEGPPILISA-N 2 1 292.398 3.112 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000153980000 371805549 /nfs/dbraw/zinc/80/55/49/371805549.db2.gz UMQJAXYPRPNOHQ-ZIAGYGMSSA-N 2 1 280.843 3.375 20 0 CGADMP CCC(CC)c1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])on1 ZINC000422788789 371809199 /nfs/dbraw/zinc/80/91/99/371809199.db2.gz RNFFRYCKZMBDQG-DZGCQCFKSA-N 2 1 279.428 3.185 20 0 CGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422791621 371811254 /nfs/dbraw/zinc/81/12/54/371811254.db2.gz QLHNDRYVRUWHGK-IJEWVQPXSA-N 2 1 278.465 3.287 20 0 CGADMP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422805453 371821426 /nfs/dbraw/zinc/82/14/26/371821426.db2.gz GVZASJTXGUDEHO-YIZRAAEISA-N 2 1 295.374 3.328 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000422806562 371822635 /nfs/dbraw/zinc/82/26/35/371822635.db2.gz NQFFEWHGLBZXOL-HIFRSBDPSA-N 2 1 281.403 3.265 20 0 CGADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000422888961 371854646 /nfs/dbraw/zinc/85/46/46/371854646.db2.gz FAXBQYFAGWFIIU-CZUORRHYSA-N 2 1 274.433 3.105 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422895577 371859891 /nfs/dbraw/zinc/85/98/91/371859891.db2.gz GEQNCPFJZCJHTA-SJORKVTESA-N 2 1 276.424 3.225 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000422930588 371875391 /nfs/dbraw/zinc/87/53/91/371875391.db2.gz VDRJTKRYAUEIBC-ILXRZTDVSA-N 2 1 276.449 3.473 20 0 CGADMP C[C@H]([NH2+]CCc1csc2ccccc12)[C@H]1CCC[NH2+]1 ZINC000422935543 371880020 /nfs/dbraw/zinc/88/00/20/371880020.db2.gz KVXVVWCGZFNRNY-SWLSCSKDSA-N 2 1 274.433 3.174 20 0 CGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422940398 371881325 /nfs/dbraw/zinc/88/13/25/371881325.db2.gz STBVBHKBXSUYDN-SWLSCSKDSA-N 2 1 274.433 3.031 20 0 CGADMP CC(C)c1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000423056662 371937640 /nfs/dbraw/zinc/93/76/40/371937640.db2.gz XVNYNQNKQOUIKH-ZDUSSCGKSA-N 2 1 269.392 3.468 20 0 CGADMP CC1(C)C[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422954302 371891354 /nfs/dbraw/zinc/89/13/54/371891354.db2.gz HXACQSRNNQMCCC-BZUAXINKSA-N 2 1 258.409 3.115 20 0 CGADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423066447 371942832 /nfs/dbraw/zinc/94/28/32/371942832.db2.gz DPCJKWFUXDQGLA-XHSDSOJGSA-N 2 1 274.408 3.068 20 0 CGADMP COC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000290142556 371914783 /nfs/dbraw/zinc/91/47/83/371914783.db2.gz CFFFHQMSDRESLF-WQVCFCJDSA-N 2 1 296.842 3.100 20 0 CGADMP COC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000290142556 371914790 /nfs/dbraw/zinc/91/47/90/371914790.db2.gz CFFFHQMSDRESLF-WQVCFCJDSA-N 2 1 296.842 3.100 20 0 CGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cl)cn1 ZINC000423016996 371917058 /nfs/dbraw/zinc/91/70/58/371917058.db2.gz NTAGDWGXUHFGQI-JSGCOSHPSA-N 2 1 281.831 3.135 20 0 CGADMP CC[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CCC[NH2+]1 ZINC000423020897 371917923 /nfs/dbraw/zinc/91/79/23/371917923.db2.gz DCBPAYJHRZPJQV-KBPBESRZSA-N 2 1 295.496 3.103 20 0 CGADMP C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423020675 371918493 /nfs/dbraw/zinc/91/84/93/371918493.db2.gz COOIUQSLVLLFPT-DLTLXFJOSA-N 2 1 258.409 3.040 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCNc2ccccc2F)c2ccccc21 ZINC000423038291 371928026 /nfs/dbraw/zinc/92/80/26/371928026.db2.gz YFWWVKRKDBOWRP-WMZOPIPTSA-N 2 1 299.393 3.362 20 0 CGADMP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423040880 371928415 /nfs/dbraw/zinc/92/84/15/371928415.db2.gz VFBVVIKQDWRURK-OASPWFOLSA-N 2 1 272.314 3.452 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000155469772 371929624 /nfs/dbraw/zinc/92/96/24/371929624.db2.gz NLAXUNCPYCWPAB-LZLYRXPVSA-N 2 1 274.452 3.164 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC000155505117 371931840 /nfs/dbraw/zinc/93/18/40/371931840.db2.gz HFXANGDCVLBKHB-CVEARBPZSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423095873 371961683 /nfs/dbraw/zinc/96/16/83/371961683.db2.gz NIOIUYLXXWFKPD-CSFVBSKPSA-N 2 1 276.399 3.192 20 0 CGADMP FC(F)(F)C1CC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423121757 371977424 /nfs/dbraw/zinc/97/74/24/371977424.db2.gz IVKROSNQGCYVHQ-OOJKYFRXSA-N 2 1 298.352 3.410 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423128581 371981023 /nfs/dbraw/zinc/98/10/23/371981023.db2.gz LCUSSNGLHXEUEX-ZFZWDLNGSA-N 2 1 276.399 3.192 20 0 CGADMP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C1(O)CCCC1 ZINC000423170739 372002967 /nfs/dbraw/zinc/00/29/67/372002967.db2.gz YRNIJXZFGQMINV-CVEARBPZSA-N 2 1 288.435 3.052 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)c1ccc(F)cc1 ZINC000290488541 372000254 /nfs/dbraw/zinc/00/02/54/372000254.db2.gz OLCWDUQMECIYCA-QGPMSJSTSA-N 2 1 290.426 3.345 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000344146523 217073183 /nfs/dbraw/zinc/07/31/83/217073183.db2.gz GEBKLVYUGQYUFW-QGZVFWFLSA-N 2 1 283.419 3.298 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000344146523 217073186 /nfs/dbraw/zinc/07/31/86/217073186.db2.gz GEBKLVYUGQYUFW-QGZVFWFLSA-N 2 1 283.419 3.298 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H]1CCCC[C@H]1C ZINC000423191650 372017083 /nfs/dbraw/zinc/01/70/83/372017083.db2.gz TXBOTKZRTBVGKQ-RYRKJORJSA-N 2 1 289.467 3.366 20 0 CGADMP C[C@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423195294 372018864 /nfs/dbraw/zinc/01/88/64/372018864.db2.gz XOZMSURAVYLTAM-WFASDCNBSA-N 2 1 294.389 3.117 20 0 CGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000290575888 372020306 /nfs/dbraw/zinc/02/03/06/372020306.db2.gz UDBJAWALEFMSEB-JKIFEVAISA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000290575888 372020314 /nfs/dbraw/zinc/02/03/14/372020314.db2.gz UDBJAWALEFMSEB-JKIFEVAISA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000290575888 372020320 /nfs/dbraw/zinc/02/03/20/372020320.db2.gz UDBJAWALEFMSEB-JKIFEVAISA-N 2 1 278.415 3.201 20 0 CGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000290575888 372020325 /nfs/dbraw/zinc/02/03/25/372020325.db2.gz UDBJAWALEFMSEB-JKIFEVAISA-N 2 1 278.415 3.201 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c(C)cccc2C)CC1 ZINC000157421301 372020594 /nfs/dbraw/zinc/02/05/94/372020594.db2.gz LJPQNKZTLQVFLP-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c(C)cccc2C)CC1 ZINC000157421301 372020601 /nfs/dbraw/zinc/02/06/01/372020601.db2.gz LJPQNKZTLQVFLP-UHFFFAOYSA-N 2 1 260.425 3.220 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265354 372043278 /nfs/dbraw/zinc/04/32/78/372043278.db2.gz QVGBPRKDBAUPPY-ZWKOTPCHSA-N 2 1 288.435 3.180 20 0 CGADMP Cc1ccc(C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C2CC2)cc1 ZINC000423363105 372055350 /nfs/dbraw/zinc/05/53/50/372055350.db2.gz AKVLDPJTQRACMC-JLSDUUJJSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CC[NH2+]1 ZINC000423405182 372059358 /nfs/dbraw/zinc/05/93/58/372059358.db2.gz ZQKKJWQBGNRQHV-BZPMIXESSA-N 2 1 262.397 3.023 20 0 CGADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CC2 ZINC000423459671 372065078 /nfs/dbraw/zinc/06/50/78/372065078.db2.gz IGEJQFAUVOKBMU-GIPNMCIBSA-N 2 1 297.240 3.070 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000291289918 372155776 /nfs/dbraw/zinc/15/57/76/372155776.db2.gz RSSUEZVZKRLSPV-PBHICJAKSA-N 2 1 288.435 3.091 20 0 CGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292258914 372185199 /nfs/dbraw/zinc/18/51/99/372185199.db2.gz YJAZFFATIJXODL-WBVHZDCISA-N 2 1 258.409 3.084 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292258914 372185206 /nfs/dbraw/zinc/18/52/06/372185206.db2.gz YJAZFFATIJXODL-WBVHZDCISA-N 2 1 258.409 3.084 20 0 CGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292258914 372185210 /nfs/dbraw/zinc/18/52/10/372185210.db2.gz YJAZFFATIJXODL-WBVHZDCISA-N 2 1 258.409 3.084 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccc1OC(F)F ZINC000293279316 372344982 /nfs/dbraw/zinc/34/49/82/372344982.db2.gz CRGBMHIFPIOGKC-NWDGAFQWSA-N 2 1 286.366 3.136 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000161673640 372345549 /nfs/dbraw/zinc/34/55/49/372345549.db2.gz MTZLTPHFDIYHNV-DAYGRLMNSA-N 2 1 290.451 3.294 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430924060 372406503 /nfs/dbraw/zinc/40/65/03/372406503.db2.gz HUBXOBUUXOUBKD-INIZCTEOSA-N 2 1 282.431 3.314 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](CNCc2cccc(O)c2Cl)C1 ZINC000293542491 372406760 /nfs/dbraw/zinc/40/67/60/372406760.db2.gz KJHZXIPNJWJETL-ZDUSSCGKSA-N 2 1 296.842 3.256 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccccc2C1 ZINC000162672270 372408982 /nfs/dbraw/zinc/40/89/82/372408982.db2.gz ICQWRVZINWWRGQ-UHFFFAOYSA-N 2 1 269.392 3.030 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccccc2C1 ZINC000162672270 372408988 /nfs/dbraw/zinc/40/89/88/372408988.db2.gz ICQWRVZINWWRGQ-UHFFFAOYSA-N 2 1 269.392 3.030 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000162759811 372417423 /nfs/dbraw/zinc/41/74/23/372417423.db2.gz PAJDKNVDJMBYHN-QGZVFWFLSA-N 2 1 284.407 3.204 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000162759811 372417432 /nfs/dbraw/zinc/41/74/32/372417432.db2.gz PAJDKNVDJMBYHN-QGZVFWFLSA-N 2 1 284.407 3.204 20 0 CGADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCCCC1 ZINC000431073454 372423205 /nfs/dbraw/zinc/42/32/05/372423205.db2.gz YEXAAQXJKLKYTO-UHFFFAOYSA-N 2 1 294.443 3.056 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000163189193 372452278 /nfs/dbraw/zinc/45/22/78/372452278.db2.gz URUBGKJTFUYNEN-SUMWQHHRSA-N 2 1 254.377 3.009 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000163224658 372456042 /nfs/dbraw/zinc/45/60/42/372456042.db2.gz SSQIJVWKPCQJCL-HIFRSBDPSA-N 2 1 254.377 3.009 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000163305327 372459939 /nfs/dbraw/zinc/45/99/39/372459939.db2.gz CCYGPIRQENUEGR-MOPGFXCFSA-N 2 1 288.479 3.494 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000163398866 372466887 /nfs/dbraw/zinc/46/68/87/372466887.db2.gz KNCYKCVGHMEFLY-NEPJUHHUSA-N 2 1 266.351 3.039 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000344404512 217182368 /nfs/dbraw/zinc/18/23/68/217182368.db2.gz FCJVXGSTKTZJBD-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000344404512 217182372 /nfs/dbraw/zinc/18/23/72/217182372.db2.gz FCJVXGSTKTZJBD-JKSUJKDBSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432438798 372567651 /nfs/dbraw/zinc/56/76/51/372567651.db2.gz CMDNZZKBOLTMCR-SQNIBIBYSA-N 2 1 296.499 3.292 20 0 CGADMP C[NH+]1CCC(N[C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000294910871 372677633 /nfs/dbraw/zinc/67/76/33/372677633.db2.gz APPRCXHCYCRAQP-INIZCTEOSA-N 2 1 280.362 3.026 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000294910871 372677641 /nfs/dbraw/zinc/67/76/41/372677641.db2.gz APPRCXHCYCRAQP-INIZCTEOSA-N 2 1 280.362 3.026 20 0 CGADMP Cc1ccc([C@@]2(C)CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000434747965 372706826 /nfs/dbraw/zinc/70/68/26/372706826.db2.gz NUINQESVNFBSSQ-MOPGFXCFSA-N 2 1 286.463 3.443 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000434747965 372706828 /nfs/dbraw/zinc/70/68/28/372706828.db2.gz NUINQESVNFBSSQ-MOPGFXCFSA-N 2 1 286.463 3.443 20 0 CGADMP Cc1ccc([C@@]2(C)CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000434747965 372706832 /nfs/dbraw/zinc/70/68/32/372706832.db2.gz NUINQESVNFBSSQ-MOPGFXCFSA-N 2 1 286.463 3.443 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000434778519 372709064 /nfs/dbraw/zinc/70/90/64/372709064.db2.gz ROFDGQRPVDKOKU-ZNMIVQPWSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Cl)o1 ZINC000344555942 217231491 /nfs/dbraw/zinc/23/14/91/217231491.db2.gz YGZURZFAJBORCK-UHFFFAOYSA-N 2 1 267.760 3.008 20 0 CGADMP CCC[C@@H](C)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435387748 372755063 /nfs/dbraw/zinc/75/50/63/372755063.db2.gz BJOBAWHMNDYBAE-SJLPKXTDSA-N 2 1 289.467 3.462 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1Cl ZINC000435432768 372761972 /nfs/dbraw/zinc/76/19/72/372761972.db2.gz ORHZPDBDCZFJTE-CQSZACIVSA-N 2 1 266.816 3.222 20 0 CGADMP CC(C)OCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171502363 372775010 /nfs/dbraw/zinc/77/50/10/372775010.db2.gz AUHCZNJREXLJMU-GOSISDBHSA-N 2 1 296.499 3.390 20 0 CGADMP CC(C)OCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000171500696 372775100 /nfs/dbraw/zinc/77/51/00/372775100.db2.gz UZDFOYIUMMEODR-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000171690786 372809163 /nfs/dbraw/zinc/80/91/63/372809163.db2.gz QZNFCCBEZLYBKH-UHFFFAOYSA-N 2 1 294.414 3.057 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000295514514 372811656 /nfs/dbraw/zinc/81/16/56/372811656.db2.gz VCJNDEGYTIYYQJ-WMLDXEAASA-N 2 1 292.492 3.368 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(C)c1 ZINC000353461295 220096561 /nfs/dbraw/zinc/09/65/61/220096561.db2.gz FAQAEGNISDAGCJ-QGZVFWFLSA-N 2 1 278.440 3.004 20 0 CGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1Cl ZINC000295976053 372980895 /nfs/dbraw/zinc/98/08/95/372980895.db2.gz OIEPICFAEBFSNT-WODVXLOZSA-N 2 1 279.815 3.011 20 0 CGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)nc1 ZINC000296109852 373024902 /nfs/dbraw/zinc/02/49/02/373024902.db2.gz ZKYMICVUBFYZBX-NDNKKMJESA-N 2 1 279.815 3.011 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)nc1 ZINC000296109852 373024916 /nfs/dbraw/zinc/02/49/16/373024916.db2.gz ZKYMICVUBFYZBX-NDNKKMJESA-N 2 1 279.815 3.011 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000443058032 373146202 /nfs/dbraw/zinc/14/62/02/373146202.db2.gz IWAHZTGLQUILQF-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443055743 373146703 /nfs/dbraw/zinc/14/67/03/373146703.db2.gz BOIQFCHYQVRTGB-LSDHHAIUSA-N 2 1 299.418 3.463 20 0 CGADMP Cc1ccc(C(C)(C)[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000444642647 373218745 /nfs/dbraw/zinc/21/87/45/373218745.db2.gz IWGXEYMORYUAAP-UHFFFAOYSA-N 2 1 275.440 3.091 20 0 CGADMP CCc1ccccc1CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000444662921 373224506 /nfs/dbraw/zinc/22/45/06/373224506.db2.gz JQWSZQYZLSSYNT-APWZRJJASA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000444662921 373224514 /nfs/dbraw/zinc/22/45/14/373224514.db2.gz JQWSZQYZLSSYNT-APWZRJJASA-N 2 1 288.479 3.454 20 0 CGADMP CCc1ccccc1CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000444662921 373224524 /nfs/dbraw/zinc/22/45/24/373224524.db2.gz JQWSZQYZLSSYNT-APWZRJJASA-N 2 1 288.479 3.454 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000174224011 373270230 /nfs/dbraw/zinc/27/02/30/373270230.db2.gz DKVAYCGGSZDOKW-MZEUMTGBSA-N 2 1 272.436 3.364 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000174224011 373270231 /nfs/dbraw/zinc/27/02/31/373270231.db2.gz DKVAYCGGSZDOKW-MZEUMTGBSA-N 2 1 272.436 3.364 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000299036871 373449363 /nfs/dbraw/zinc/44/93/63/373449363.db2.gz MOHPRKXEPOFNKI-GFCCVEGCSA-N 2 1 261.344 3.024 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000299036871 373449369 /nfs/dbraw/zinc/44/93/69/373449369.db2.gz MOHPRKXEPOFNKI-GFCCVEGCSA-N 2 1 261.344 3.024 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448057460 373543903 /nfs/dbraw/zinc/54/39/03/373543903.db2.gz XZYRWFHONKIEHR-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000448077449 373547511 /nfs/dbraw/zinc/54/75/11/373547511.db2.gz MTLZERVSUOQINN-SFHVURJKSA-N 2 1 298.474 3.473 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000300419719 373634454 /nfs/dbraw/zinc/63/44/54/373634454.db2.gz LUHDTCQXEPDXSJ-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000300419719 373634458 /nfs/dbraw/zinc/63/44/58/373634458.db2.gz LUHDTCQXEPDXSJ-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CCc1ccc([C@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000301066655 373645630 /nfs/dbraw/zinc/64/56/30/373645630.db2.gz GYRVZIUNVCGAIZ-KRWDZBQOSA-N 2 1 298.434 3.371 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449433194 373711743 /nfs/dbraw/zinc/71/17/43/373711743.db2.gz LDTHHAOQOANBIB-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(CCSc2ccc(F)cc2)C1 ZINC000177839163 373713972 /nfs/dbraw/zinc/71/39/72/373713972.db2.gz HHIZDQLXDBNHNH-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCSc2ccc(F)cc2)C1 ZINC000177839163 373713980 /nfs/dbraw/zinc/71/39/80/373713980.db2.gz HHIZDQLXDBNHNH-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2ccc(F)cc2)C1 ZINC000177839163 373713989 /nfs/dbraw/zinc/71/39/89/373713989.db2.gz HHIZDQLXDBNHNH-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000177839163 373713998 /nfs/dbraw/zinc/71/39/98/373713998.db2.gz HHIZDQLXDBNHNH-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000177839163 373714005 /nfs/dbraw/zinc/71/40/05/373714005.db2.gz HHIZDQLXDBNHNH-AWEZNQCLSA-N 2 1 296.455 3.191 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)nc2)C[C@@H]1C ZINC000353657758 220230655 /nfs/dbraw/zinc/23/06/55/220230655.db2.gz HICDXNPFMJNYBP-FUHWJXTLSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc(C)nc2)C[C@@H]1C ZINC000353657758 220230658 /nfs/dbraw/zinc/23/06/58/220230658.db2.gz HICDXNPFMJNYBP-FUHWJXTLSA-N 2 1 289.467 3.127 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc(C)nc2)C[C@@H]1C ZINC000353657758 220230661 /nfs/dbraw/zinc/23/06/61/220230661.db2.gz HICDXNPFMJNYBP-FUHWJXTLSA-N 2 1 289.467 3.127 20 0 CGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000301199375 373690337 /nfs/dbraw/zinc/69/03/37/373690337.db2.gz OUSPWBVIDMJRPA-GOSISDBHSA-N 2 1 295.430 3.367 20 0 CGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000301199375 373690345 /nfs/dbraw/zinc/69/03/45/373690345.db2.gz OUSPWBVIDMJRPA-GOSISDBHSA-N 2 1 295.430 3.367 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2cc[nH]c21 ZINC000353649696 220226834 /nfs/dbraw/zinc/22/68/34/220226834.db2.gz TWQGLPDSRPNNCB-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2cc[nH]c21 ZINC000353649696 220226837 /nfs/dbraw/zinc/22/68/37/220226837.db2.gz TWQGLPDSRPNNCB-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2cc[nH]c21 ZINC000353649696 220226841 /nfs/dbraw/zinc/22/68/41/220226841.db2.gz TWQGLPDSRPNNCB-KRWDZBQOSA-N 2 1 285.435 3.474 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCSc2ccc(C)cc2)[C@H](C)C1 ZINC000178380302 373772655 /nfs/dbraw/zinc/77/26/55/373772655.db2.gz MHRAXRNYFQJSES-NVXWUHKLSA-N 2 1 292.492 3.407 20 0 CGADMP CCOc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000353662571 220235986 /nfs/dbraw/zinc/23/59/86/220235986.db2.gz AJSGUTFYNRHWBN-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000353662571 220235990 /nfs/dbraw/zinc/23/59/90/220235990.db2.gz AJSGUTFYNRHWBN-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000353662571 220235994 /nfs/dbraw/zinc/23/59/94/220235994.db2.gz AJSGUTFYNRHWBN-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000353662571 220235997 /nfs/dbraw/zinc/23/59/97/220235997.db2.gz AJSGUTFYNRHWBN-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCOc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178956230 373821459 /nfs/dbraw/zinc/82/14/59/373821459.db2.gz ADDGIXVXDNYDHZ-GOSISDBHSA-N 2 1 288.435 3.222 20 0 CGADMP CC[NH+](CC)[C@H](C)CNc1cc[nH+]c2ccsc21 ZINC000301500391 373780343 /nfs/dbraw/zinc/78/03/43/373780343.db2.gz DKBAQFGMJNYPGY-LLVKDONJSA-N 2 1 263.410 3.439 20 0 CGADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCCCCC1 ZINC000394525915 261378379 /nfs/dbraw/zinc/37/83/79/261378379.db2.gz FHGCNBHXDNWNCF-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCCCCC1 ZINC000394525915 261378381 /nfs/dbraw/zinc/37/83/81/261378381.db2.gz FHGCNBHXDNWNCF-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000179536064 373883028 /nfs/dbraw/zinc/88/30/28/373883028.db2.gz KRIMKEXKXKGOEZ-STQMWFEESA-N 2 1 295.496 3.055 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCC(=O)c2ccccc2)CCN1C ZINC000450465077 374148661 /nfs/dbraw/zinc/14/86/61/374148661.db2.gz DBKRTGIUXYTPJW-RDJZCZTQSA-N 2 1 288.435 3.064 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C12CCC2 ZINC000181700130 374156812 /nfs/dbraw/zinc/15/68/12/374156812.db2.gz BCAHVRPBQVXERK-GVDBMIGSSA-N 2 1 294.483 3.044 20 0 CGADMP FCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309952030 374204665 /nfs/dbraw/zinc/20/46/65/374204665.db2.gz GRJYGWQLOSMXRD-ROUUACIJSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309952030 374204669 /nfs/dbraw/zinc/20/46/69/374204669.db2.gz GRJYGWQLOSMXRD-ROUUACIJSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309952030 374204675 /nfs/dbraw/zinc/20/46/75/374204675.db2.gz GRJYGWQLOSMXRD-ROUUACIJSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@@H](CCNc1cc[nH+]cc1Cl)[NH+]1CCCCC1 ZINC000182339613 374260710 /nfs/dbraw/zinc/26/07/10/374260710.db2.gz UCDBJBWCTSYUQV-LBPRGKRZSA-N 2 1 267.804 3.411 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000328174790 374361117 /nfs/dbraw/zinc/36/11/17/374361117.db2.gz LMWLKKRQAJIISO-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000328458516 374366321 /nfs/dbraw/zinc/36/63/21/374366321.db2.gz SSCCYYOUHOOCNF-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)[C@@H]1OC ZINC000453361179 374448404 /nfs/dbraw/zinc/44/84/04/374448404.db2.gz QSKRHNYJWWHUGB-IKDFJIFVSA-N 2 1 294.483 3.041 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H]1C1CC1)C1CC1 ZINC000453400363 374472550 /nfs/dbraw/zinc/47/25/50/374472550.db2.gz LUTGFILFNIXAKI-CVEARBPZSA-N 2 1 250.430 3.029 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1CCCF)C1CC1 ZINC000453403803 374473142 /nfs/dbraw/zinc/47/31/42/374473142.db2.gz OZBGJZREHYPEJT-GDBMZVCRSA-N 2 1 270.436 3.369 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410735 374474290 /nfs/dbraw/zinc/47/42/90/374474290.db2.gz VATOLCPDYKCMLA-FOLVSLTJSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000453405886 374475250 /nfs/dbraw/zinc/47/52/50/374475250.db2.gz QRDMRWRPQLUUED-SFHVURJKSA-N 2 1 287.451 3.387 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185218906 374612539 /nfs/dbraw/zinc/61/25/39/374612539.db2.gz BWQUZRONXHNNEN-KBMXLJTQSA-N 2 1 293.455 3.009 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CCSCC1 ZINC000186916856 374938074 /nfs/dbraw/zinc/93/80/74/374938074.db2.gz CKSLUGWBSVXFKF-CQSZACIVSA-N 2 1 284.513 3.372 20 0 CGADMP Cc1cc(F)c(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000334648146 374940697 /nfs/dbraw/zinc/94/06/97/374940697.db2.gz SWUDXCNWXXWSHC-SNVBAGLBSA-N 2 1 293.773 3.158 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000474107483 375082064 /nfs/dbraw/zinc/08/20/64/375082064.db2.gz YAVCFTJVNILEOW-YJBOKZPZSA-N 2 1 290.451 3.214 20 0 CGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C(CC)CC)[NH+](C)C ZINC000474471140 375113583 /nfs/dbraw/zinc/11/35/83/375113583.db2.gz FWMJRNKAFLWPJG-ULQDDVLXSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000335181757 375207084 /nfs/dbraw/zinc/20/70/84/375207084.db2.gz QSTSFORKUOSDRN-WFASDCNBSA-N 2 1 274.433 3.331 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000189111749 375327060 /nfs/dbraw/zinc/32/70/60/375327060.db2.gz UWIWOBBMDCSZCM-UKRRQHHQSA-N 2 1 261.413 3.140 20 0 CGADMP COCCC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000189037786 375314172 /nfs/dbraw/zinc/31/41/72/375314172.db2.gz NZQAIYCYPCWDIO-MRXNPFEDSA-N 2 1 294.483 3.047 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)C[NH+](C)C ZINC000491592738 375335093 /nfs/dbraw/zinc/33/50/93/375335093.db2.gz YJSBBAXWUZRVFR-CYBMUJFWSA-N 2 1 290.382 3.373 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000189319195 375364865 /nfs/dbraw/zinc/36/48/65/375364865.db2.gz NKDXKLDMZVJJLH-LLVKDONJSA-N 2 1 295.789 3.410 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000189783529 375446372 /nfs/dbraw/zinc/44/63/72/375446372.db2.gz RNKVAMKCSXPZML-SFHVURJKSA-N 2 1 297.446 3.437 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000191077342 375574198 /nfs/dbraw/zinc/57/41/98/375574198.db2.gz CSMMKGKGCZODFK-YLFCFFPRSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000191077342 375574202 /nfs/dbraw/zinc/57/42/02/375574202.db2.gz CSMMKGKGCZODFK-YLFCFFPRSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000191077342 375574207 /nfs/dbraw/zinc/57/42/07/375574207.db2.gz CSMMKGKGCZODFK-YLFCFFPRSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000191077342 375574210 /nfs/dbraw/zinc/57/42/10/375574210.db2.gz CSMMKGKGCZODFK-YLFCFFPRSA-N 2 1 264.457 3.393 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cnn1C(C)(C)C ZINC000191132281 375584169 /nfs/dbraw/zinc/58/41/69/375584169.db2.gz SGPGSAFXHAAIKQ-CQSZACIVSA-N 2 1 292.471 3.083 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000120926294 542014073 /nfs/dbraw/zinc/01/40/73/542014073.db2.gz RCVOIBHNLWXVOR-OAHLLOKOSA-N 2 1 282.378 3.130 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251877378 296232701 /nfs/dbraw/zinc/23/27/01/296232701.db2.gz UMQKUURIJCMUKI-UHIISALHSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251877378 296232703 /nfs/dbraw/zinc/23/27/03/296232703.db2.gz UMQKUURIJCMUKI-UHIISALHSA-N 2 1 252.789 3.070 20 0 CGADMP CC[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000508564795 375750612 /nfs/dbraw/zinc/75/06/12/375750612.db2.gz AVHHITZPQAGRJU-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000508564795 375750616 /nfs/dbraw/zinc/75/06/16/375750616.db2.gz AVHHITZPQAGRJU-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP CC[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000508564795 375750623 /nfs/dbraw/zinc/75/06/23/375750623.db2.gz AVHHITZPQAGRJU-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)cn1 ZINC000193125501 375831006 /nfs/dbraw/zinc/83/10/06/375831006.db2.gz DUTIHSZAVOIPCQ-BBRMVZONSA-N 2 1 298.434 3.490 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000193138931 375832384 /nfs/dbraw/zinc/83/23/84/375832384.db2.gz XJGQWPBOERCENA-QWRGUYRKSA-N 2 1 272.845 3.364 20 0 CGADMP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336716506 375917849 /nfs/dbraw/zinc/91/78/49/375917849.db2.gz PITZCQUIPQPFSC-HNNXBMFYSA-N 2 1 290.451 3.054 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)c(OC)c2)C1 ZINC000194022095 375950680 /nfs/dbraw/zinc/95/06/80/375950680.db2.gz LYRVMOSOYXAGIC-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC000194022095 375950691 /nfs/dbraw/zinc/95/06/91/375950691.db2.gz LYRVMOSOYXAGIC-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC000194022095 375950701 /nfs/dbraw/zinc/95/07/01/375950701.db2.gz LYRVMOSOYXAGIC-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000194022095 375950707 /nfs/dbraw/zinc/95/07/07/375950707.db2.gz LYRVMOSOYXAGIC-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000194022095 375950715 /nfs/dbraw/zinc/95/07/15/375950715.db2.gz LYRVMOSOYXAGIC-KRWDZBQOSA-N 2 1 290.451 3.167 20 0 CGADMP C[N@H+](Cc1sccc1Cl)CC1CC[NH+](C)CC1 ZINC000194379650 375996114 /nfs/dbraw/zinc/99/61/14/375996114.db2.gz QLXWUKHMCPPDTL-UHFFFAOYSA-N 2 1 272.845 3.175 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000194476803 376008380 /nfs/dbraw/zinc/00/83/80/376008380.db2.gz PQOXXGHDHVMZTC-HNNXBMFYSA-N 2 1 271.408 3.365 20 0 CGADMP COc1ccc(F)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000336847864 376009503 /nfs/dbraw/zinc/00/95/03/376009503.db2.gz GNGRGJCUGGAHJX-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP Cc1nccn1CC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000536561770 376096325 /nfs/dbraw/zinc/09/63/25/376096325.db2.gz QJZJJYULFAPOAH-QGZVFWFLSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000536561770 376096328 /nfs/dbraw/zinc/09/63/28/376096328.db2.gz QJZJJYULFAPOAH-QGZVFWFLSA-N 2 1 269.392 3.201 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000536561770 376096334 /nfs/dbraw/zinc/09/63/34/376096334.db2.gz QJZJJYULFAPOAH-QGZVFWFLSA-N 2 1 269.392 3.201 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337270794 376183151 /nfs/dbraw/zinc/18/31/51/376183151.db2.gz NFZFKPAXXRBXAX-AWEZNQCLSA-N 2 1 264.388 3.304 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337270794 376183156 /nfs/dbraw/zinc/18/31/56/376183156.db2.gz NFZFKPAXXRBXAX-AWEZNQCLSA-N 2 1 264.388 3.304 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cccc(F)c1 ZINC000221924152 376223391 /nfs/dbraw/zinc/22/33/91/376223391.db2.gz HVEKOLGFWTZEJA-CYBMUJFWSA-N 2 1 252.377 3.207 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000221924152 376223395 /nfs/dbraw/zinc/22/33/95/376223395.db2.gz HVEKOLGFWTZEJA-CYBMUJFWSA-N 2 1 252.377 3.207 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000221924152 376223399 /nfs/dbraw/zinc/22/33/99/376223399.db2.gz HVEKOLGFWTZEJA-CYBMUJFWSA-N 2 1 252.377 3.207 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000226332085 376353488 /nfs/dbraw/zinc/35/34/88/376353488.db2.gz BVURVCWMNAWNMW-BFYDXBDKSA-N 2 1 260.425 3.239 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000539090629 376293694 /nfs/dbraw/zinc/29/36/94/376293694.db2.gz HBYRTFVHLPHQMG-SJORKVTESA-N 2 1 290.451 3.002 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(OC)c1 ZINC000338236875 376294140 /nfs/dbraw/zinc/29/41/40/376294140.db2.gz YXKJTGBVSZVOGY-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(OC)c1 ZINC000338236875 376294145 /nfs/dbraw/zinc/29/41/45/376294145.db2.gz YXKJTGBVSZVOGY-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)Cc1sccc1C ZINC000338253314 376299287 /nfs/dbraw/zinc/29/92/87/376299287.db2.gz TZMRHCHHPVAGIB-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1sccc1C ZINC000338253314 376299295 /nfs/dbraw/zinc/29/92/95/376299295.db2.gz TZMRHCHHPVAGIB-UHFFFAOYSA-N 2 1 254.443 3.220 20 0 CGADMP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000539294294 376302031 /nfs/dbraw/zinc/30/20/31/376302031.db2.gz ASCLSQRMWUJCNS-CQSZACIVSA-N 2 1 287.451 3.169 20 0 CGADMP c1cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc(C2CC2)c1 ZINC000227610785 376401688 /nfs/dbraw/zinc/40/16/88/376401688.db2.gz QKIRQRNQQHKOCM-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C2CC2)c1 ZINC000227610785 376401693 /nfs/dbraw/zinc/40/16/93/376401693.db2.gz QKIRQRNQQHKOCM-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc(C2CC2)c1 ZINC000227610785 376401699 /nfs/dbraw/zinc/40/16/99/376401699.db2.gz QKIRQRNQQHKOCM-ROUUACIJSA-N 2 1 270.420 3.280 20 0 CGADMP CCC[C@H](C)[NH+](C)CC1(C[N@H+](C)[C@@H](C)CCC)COC1 ZINC000541070044 376417947 /nfs/dbraw/zinc/41/79/47/376417947.db2.gz DNHXNAZAHIEGPL-HOTGVXAUSA-N 2 1 284.488 3.244 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227918297 376419254 /nfs/dbraw/zinc/41/92/54/376419254.db2.gz FHYQYYRKOJBCRE-XIRDDKMYSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227918297 376419258 /nfs/dbraw/zinc/41/92/58/376419258.db2.gz FHYQYYRKOJBCRE-XIRDDKMYSA-N 2 1 258.409 3.272 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCC[NH2+]C1 ZINC000226434861 376359197 /nfs/dbraw/zinc/35/91/97/376359197.db2.gz XUTXSAFGCXWZFK-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCC[NH2+]C1 ZINC000226434861 376359206 /nfs/dbraw/zinc/35/92/06/376359206.db2.gz XUTXSAFGCXWZFK-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000226434486 376359542 /nfs/dbraw/zinc/35/95/42/376359542.db2.gz ZPBMKNCDDPPZGF-MRXNPFEDSA-N 2 1 260.425 3.241 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226436919 376359763 /nfs/dbraw/zinc/35/97/63/376359763.db2.gz QPJNHZZMMIOHNO-RDTXWAMCSA-N 2 1 270.420 3.138 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cccs2)[C@@H](C)C1 ZINC000540161476 376363244 /nfs/dbraw/zinc/36/32/44/376363244.db2.gz WABHKJIUFHSJAN-DZGCQCFKSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000540194969 376366389 /nfs/dbraw/zinc/36/63/89/376366389.db2.gz MRPVLVDHWMNZBT-HNAYVOBHSA-N 2 1 298.430 3.148 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000226864724 376375892 /nfs/dbraw/zinc/37/58/92/376375892.db2.gz RGNKHJFSIOTSSK-SOEBMCCKSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000226864724 376375896 /nfs/dbraw/zinc/37/58/96/376375896.db2.gz RGNKHJFSIOTSSK-SOEBMCCKSA-N 2 1 272.436 3.313 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccccc2)C1 ZINC000227031337 376379274 /nfs/dbraw/zinc/37/92/74/376379274.db2.gz CWHOMAYPJOZFMK-SJLPKXTDSA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000542549174 376557510 /nfs/dbraw/zinc/55/75/10/376557510.db2.gz AOZPZBZKDVKYRL-MSOLQXFVSA-N 2 1 292.442 3.467 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231454043 376558006 /nfs/dbraw/zinc/55/80/06/376558006.db2.gz RJCLKQMDOUSLGO-AWEZNQCLSA-N 2 1 286.341 3.279 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231455244 376558480 /nfs/dbraw/zinc/55/84/80/376558480.db2.gz FQKCAKXLGLCENO-CQSZACIVSA-N 2 1 272.392 3.315 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCCCC1 ZINC000542473932 376544747 /nfs/dbraw/zinc/54/47/47/376544747.db2.gz UTZNCNQEUFMJFC-SJLPKXTDSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000542477298 376548028 /nfs/dbraw/zinc/54/80/28/376548028.db2.gz YBUTZJPSDABZEV-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC000334317327 206358675 /nfs/dbraw/zinc/35/86/75/206358675.db2.gz UTHXFBQFJGLFSN-NWDGAFQWSA-N 2 1 260.406 3.070 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000542840155 376584948 /nfs/dbraw/zinc/58/49/48/376584948.db2.gz ANZHQEGKWORSNY-LSDHHAIUSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1 ZINC000339068110 376658267 /nfs/dbraw/zinc/65/82/67/376658267.db2.gz NZKYKNRFMICNSP-JKSUJKDBSA-N 2 1 288.435 3.060 20 0 CGADMP C[N@H+](C[C@H]1CCc2ccccc2C1)C[C@H]1CCC[NH+](C)C1 ZINC000543842236 376682344 /nfs/dbraw/zinc/68/23/44/376682344.db2.gz JTTJWWMNVJXFDQ-IRXDYDNUSA-N 2 1 286.463 3.065 20 0 CGADMP C[NH+](C[C@H]1CCc2ccccc2C1)C[C@H]1CCC[N@H+](C)C1 ZINC000543842236 376682346 /nfs/dbraw/zinc/68/23/46/376682346.db2.gz JTTJWWMNVJXFDQ-IRXDYDNUSA-N 2 1 286.463 3.065 20 0 CGADMP C[NH+](C[C@H]1CCc2ccccc2C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000543842236 376682349 /nfs/dbraw/zinc/68/23/49/376682349.db2.gz JTTJWWMNVJXFDQ-IRXDYDNUSA-N 2 1 286.463 3.065 20 0 CGADMP C[N@H+](C[C@@H]1CCc2ccccc2C1)C[C@@H]1CCC[NH+](C)C1 ZINC000543842235 376683042 /nfs/dbraw/zinc/68/30/42/376683042.db2.gz JTTJWWMNVJXFDQ-IAGOWNOFSA-N 2 1 286.463 3.065 20 0 CGADMP C[NH+](C[C@@H]1CCc2ccccc2C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000543842235 376683047 /nfs/dbraw/zinc/68/30/47/376683047.db2.gz JTTJWWMNVJXFDQ-IAGOWNOFSA-N 2 1 286.463 3.065 20 0 CGADMP C[NH+](C[C@@H]1CCc2ccccc2C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000543842235 376683053 /nfs/dbraw/zinc/68/30/53/376683053.db2.gz JTTJWWMNVJXFDQ-IAGOWNOFSA-N 2 1 286.463 3.065 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000236786754 376692788 /nfs/dbraw/zinc/69/27/88/376692788.db2.gz RLYYXBVLWVDFNF-HZPDHXFCSA-N 2 1 260.425 3.112 20 0 CGADMP CN(CCc1cccc(F)c1F)CC[C@@H]1CCCC[N@H+]1C ZINC000544150660 376709146 /nfs/dbraw/zinc/70/91/46/376709146.db2.gz SXCHKFHAHBMIRO-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1F)CC[C@@H]1CCCC[NH+]1C ZINC000544150660 376709152 /nfs/dbraw/zinc/70/91/52/376709152.db2.gz SXCHKFHAHBMIRO-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP C[N@H+](CCc1cccc(F)c1F)CC[C@@H]1CCCC[NH+]1C ZINC000544150660 376709160 /nfs/dbraw/zinc/70/91/60/376709160.db2.gz SXCHKFHAHBMIRO-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](CCc1cccc(F)c1F)CC[C@@H]1CCCC[N@@H+]1C ZINC000544150660 376709165 /nfs/dbraw/zinc/70/91/65/376709165.db2.gz SXCHKFHAHBMIRO-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP C[NH+](CCc1cccc(F)c1F)CC[C@@H]1CCCC[N@H+]1C ZINC000544150660 376709173 /nfs/dbraw/zinc/70/91/73/376709173.db2.gz SXCHKFHAHBMIRO-HNNXBMFYSA-N 2 1 296.405 3.314 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433700 376757241 /nfs/dbraw/zinc/75/72/41/376757241.db2.gz WWJLULAWCUPQEI-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433700 376757246 /nfs/dbraw/zinc/75/72/46/376757246.db2.gz WWJLULAWCUPQEI-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433700 376757252 /nfs/dbraw/zinc/75/72/52/376757252.db2.gz WWJLULAWCUPQEI-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC000339433700 376757257 /nfs/dbraw/zinc/75/72/57/376757257.db2.gz WWJLULAWCUPQEI-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP Cc1ncccc1CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000151281169 542101627 /nfs/dbraw/zinc/10/16/27/542101627.db2.gz KVDVBJCIRJYKPW-DNVCBOLYSA-N 2 1 295.430 3.143 20 0 CGADMP Cc1ncccc1CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000151281169 542101633 /nfs/dbraw/zinc/10/16/33/542101633.db2.gz KVDVBJCIRJYKPW-DNVCBOLYSA-N 2 1 295.430 3.143 20 0 CGADMP C[C@H](CC[N@H+]1CCC(C)(C)C1)[NH+]1CCC(C)(C)C1 ZINC000153633614 542111882 /nfs/dbraw/zinc/11/18/82/542111882.db2.gz IMKIAEJRFRDXEN-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+]1CCC(C)(C)C1)[N@@H+]1CCC(C)(C)C1 ZINC000153633614 542111888 /nfs/dbraw/zinc/11/18/88/542111888.db2.gz IMKIAEJRFRDXEN-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@H](CC[NH+]1CCC(C)(C)C1)[N@H+]1CCC(C)(C)C1 ZINC000153633614 542111893 /nfs/dbraw/zinc/11/18/93/542111893.db2.gz IMKIAEJRFRDXEN-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000156516212 542128707 /nfs/dbraw/zinc/12/87/07/542128707.db2.gz VQRSLVGQGZHYLE-RDJZCZTQSA-N 2 1 287.451 3.133 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCc3ccccc32)C1 ZINC000245449840 376818153 /nfs/dbraw/zinc/81/81/53/376818153.db2.gz OBKFDVINGAWUTB-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245449840 376818162 /nfs/dbraw/zinc/81/81/62/376818162.db2.gz OBKFDVINGAWUTB-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245449840 376818175 /nfs/dbraw/zinc/81/81/75/376818175.db2.gz OBKFDVINGAWUTB-YJBOKZPZSA-N 2 1 272.436 3.338 20 0 CGADMP Cc1cccc(CCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000245561095 376856724 /nfs/dbraw/zinc/85/67/24/376856724.db2.gz XADQTPBENYZKOJ-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000245561095 376856730 /nfs/dbraw/zinc/85/67/30/376856730.db2.gz XADQTPBENYZKOJ-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245561095 376856737 /nfs/dbraw/zinc/85/67/37/376856737.db2.gz XADQTPBENYZKOJ-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1cccc(CCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245561095 376856744 /nfs/dbraw/zinc/85/67/44/376856744.db2.gz XADQTPBENYZKOJ-WMZOPIPTSA-N 2 1 274.452 3.342 20 0 CGADMP CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000245765074 376902660 /nfs/dbraw/zinc/90/26/60/376902660.db2.gz QNNNXXGTCAKPKK-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000245765074 376902664 /nfs/dbraw/zinc/90/26/64/376902664.db2.gz QNNNXXGTCAKPKK-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000245765074 376902667 /nfs/dbraw/zinc/90/26/67/376902667.db2.gz QNNNXXGTCAKPKK-MAUKXSAKSA-N 2 1 290.451 3.247 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000245625529 376870225 /nfs/dbraw/zinc/87/02/25/376870225.db2.gz OUNSJRZFVQBMJE-TZMCWYRMSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000245625529 376870232 /nfs/dbraw/zinc/87/02/32/376870232.db2.gz OUNSJRZFVQBMJE-TZMCWYRMSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)s1 ZINC000245625529 376870238 /nfs/dbraw/zinc/87/02/38/376870238.db2.gz OUNSJRZFVQBMJE-TZMCWYRMSA-N 2 1 281.469 3.237 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)s1 ZINC000245625529 376870243 /nfs/dbraw/zinc/87/02/43/376870243.db2.gz OUNSJRZFVQBMJE-TZMCWYRMSA-N 2 1 281.469 3.237 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000556762184 376877435 /nfs/dbraw/zinc/87/74/35/376877435.db2.gz KGRFVOVONBCINM-BPQIPLTHSA-N 2 1 272.436 3.110 20 0 CGADMP c1cc2c(nc[nH+]c2NCCCCC[NH+]2CCCCC2)[nH]1 ZINC000264685404 190128286 /nfs/dbraw/zinc/12/82/86/190128286.db2.gz BCJZHQYMPVHCRD-UHFFFAOYSA-N 2 1 287.411 3.026 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000556873268 376894538 /nfs/dbraw/zinc/89/45/38/376894538.db2.gz WWDFJMPFCZZRKB-ZHCJQAHYSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000557794969 376956756 /nfs/dbraw/zinc/95/67/56/376956756.db2.gz FSIJRYVXJLTYJO-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CC[NH2+][C@H]1CCOC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000340250845 376964971 /nfs/dbraw/zinc/96/49/71/376964971.db2.gz GIQDVYATDYRXLE-RDJZCZTQSA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000558226693 376985924 /nfs/dbraw/zinc/98/59/24/376985924.db2.gz QXAKSVSGPIYWEW-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000558219436 376986030 /nfs/dbraw/zinc/98/60/30/376986030.db2.gz BJAXBFPMJOGRFK-KBMXLJTQSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000558219436 376986037 /nfs/dbraw/zinc/98/60/37/376986037.db2.gz BJAXBFPMJOGRFK-KBMXLJTQSA-N 2 1 264.457 3.275 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340309462 376994874 /nfs/dbraw/zinc/99/48/74/376994874.db2.gz JNQOFZOEEWJVMP-KBMXLJTQSA-N 2 1 278.465 3.163 20 0 CGADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340309462 376994879 /nfs/dbraw/zinc/99/48/79/376994879.db2.gz JNQOFZOEEWJVMP-KBMXLJTQSA-N 2 1 278.465 3.163 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340309461 376994947 /nfs/dbraw/zinc/99/49/47/376994947.db2.gz JNQOFZOEEWJVMP-FVQBIDKESA-N 2 1 278.465 3.163 20 0 CGADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340309461 376994954 /nfs/dbraw/zinc/99/49/54/376994954.db2.gz JNQOFZOEEWJVMP-FVQBIDKESA-N 2 1 278.465 3.163 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000559244437 377074166 /nfs/dbraw/zinc/07/41/66/377074166.db2.gz POBWGMNPTVXCBA-MRXNPFEDSA-N 2 1 272.436 3.386 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000560525864 377163103 /nfs/dbraw/zinc/16/31/03/377163103.db2.gz BNHNYYZANUFLOZ-VBNZEHGJSA-N 2 1 296.817 3.442 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000560529227 377166625 /nfs/dbraw/zinc/16/66/25/377166625.db2.gz KRNTYTBKFGPYFB-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000560529227 377166628 /nfs/dbraw/zinc/16/66/28/377166628.db2.gz KRNTYTBKFGPYFB-QXSJWSMHSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247148295 377166806 /nfs/dbraw/zinc/16/68/06/377166806.db2.gz WSTREONORZGMRT-BRWVUGGUSA-N 2 1 290.451 3.001 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000247149135 377166975 /nfs/dbraw/zinc/16/69/75/377166975.db2.gz RIRCXEMXTCMZOI-FPMFFAJLSA-N 2 1 281.469 3.283 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@H]1n1ccnc1 ZINC000247674874 377232372 /nfs/dbraw/zinc/23/23/72/377232372.db2.gz RELXMEZMOKPTOA-DZGCQCFKSA-N 2 1 296.374 3.107 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127679 377268824 /nfs/dbraw/zinc/26/88/24/377268824.db2.gz OCNQVJOUPGPVTC-QRQLOZEOSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127679 377268825 /nfs/dbraw/zinc/26/88/25/377268825.db2.gz OCNQVJOUPGPVTC-QRQLOZEOSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127679 377268834 /nfs/dbraw/zinc/26/88/34/377268834.db2.gz OCNQVJOUPGPVTC-QRQLOZEOSA-N 2 1 284.447 3.480 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247937611 377246371 /nfs/dbraw/zinc/24/63/71/377246371.db2.gz CQZJSNHRYYNENS-WBTNSWJXSA-N 2 1 260.425 3.251 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247937611 377246383 /nfs/dbraw/zinc/24/63/83/377246383.db2.gz CQZJSNHRYYNENS-WBTNSWJXSA-N 2 1 260.425 3.251 20 0 CGADMP Cc1ccc(SCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000248029131 377258182 /nfs/dbraw/zinc/25/81/82/377258182.db2.gz PZTXMZXJIWLLOJ-HLLBOEOZSA-N 2 1 292.492 3.405 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CCCC2)[C@@H](C)C1 ZINC000248024637 377258509 /nfs/dbraw/zinc/25/85/09/377258509.db2.gz ONICZOJZDSSXPI-FUHWJXTLSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000248012318 377258673 /nfs/dbraw/zinc/25/86/73/377258673.db2.gz LJZGFVNQYYRWDB-JFIYKMOQSA-N 2 1 274.452 3.164 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248014352 377258859 /nfs/dbraw/zinc/25/88/59/377258859.db2.gz LOQOMELBYPRJPX-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248014352 377258866 /nfs/dbraw/zinc/25/88/66/377258866.db2.gz LOQOMELBYPRJPX-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248014352 377258876 /nfs/dbraw/zinc/25/88/76/377258876.db2.gz LOQOMELBYPRJPX-ROUUACIJSA-N 2 1 272.436 3.165 20 0 CGADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000247458584 377206351 /nfs/dbraw/zinc/20/63/51/377206351.db2.gz ICZMDLXGUOHABO-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000247458584 377206362 /nfs/dbraw/zinc/20/63/62/377206362.db2.gz ICZMDLXGUOHABO-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000247458584 377206372 /nfs/dbraw/zinc/20/63/72/377206372.db2.gz ICZMDLXGUOHABO-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP Cc1cccc([C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000247458584 377206378 /nfs/dbraw/zinc/20/63/78/377206378.db2.gz ICZMDLXGUOHABO-HOTGVXAUSA-N 2 1 260.425 3.330 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000562517696 377320638 /nfs/dbraw/zinc/32/06/38/377320638.db2.gz PIIMYVYEJNTSMG-HJOIGYKYSA-N 2 1 294.483 3.188 20 0 CGADMP CCc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c[nH]c21 ZINC000248141133 377273043 /nfs/dbraw/zinc/27/30/43/377273043.db2.gz PRSCQZZWACLDMQ-YOEHRIQHSA-N 2 1 299.462 3.345 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000248157886 377273968 /nfs/dbraw/zinc/27/39/68/377273968.db2.gz RQPZYGVAYVMFEQ-FUHWJXTLSA-N 2 1 274.452 3.166 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000562962762 377381028 /nfs/dbraw/zinc/38/10/28/377381028.db2.gz YASZMYZMOPWWOD-XJKSGUPXSA-N 2 1 276.424 3.172 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC2CC2)[C@H](C)C1 ZINC000248924906 377428939 /nfs/dbraw/zinc/42/89/39/377428939.db2.gz FRZPBEURMYAUHY-NUJGCVRESA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248874195 377417914 /nfs/dbraw/zinc/41/79/14/377417914.db2.gz IUZDAWOOUDHXCN-YZDRTPDPSA-N 2 1 250.430 3.028 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000249088738 377459465 /nfs/dbraw/zinc/45/94/65/377459465.db2.gz GCXUKXFZDGFRAP-QRVBRYPASA-N 2 1 286.463 3.329 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000249155528 377471628 /nfs/dbraw/zinc/47/16/28/377471628.db2.gz YPWRXZXRGXTHGB-RDJZCZTQSA-N 2 1 290.451 3.356 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000249191963 377476878 /nfs/dbraw/zinc/47/68/78/377476878.db2.gz AARNPZZWYSINSP-KGLIPLIRSA-N 2 1 280.843 3.327 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000249191963 377476886 /nfs/dbraw/zinc/47/68/86/377476886.db2.gz AARNPZZWYSINSP-KGLIPLIRSA-N 2 1 280.843 3.327 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249425713 377500324 /nfs/dbraw/zinc/50/03/24/377500324.db2.gz DPHCWTBXNUDRCG-HUUCEWRRSA-N 2 1 276.424 3.163 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249425713 377500329 /nfs/dbraw/zinc/50/03/29/377500329.db2.gz DPHCWTBXNUDRCG-HUUCEWRRSA-N 2 1 276.424 3.163 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000164654065 542171337 /nfs/dbraw/zinc/17/13/37/542171337.db2.gz YBQYWEFPFSVXIK-QGZVFWFLSA-N 2 1 287.382 3.388 20 0 CGADMP CC(C)CC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000094849489 249042981 /nfs/dbraw/zinc/04/29/81/249042981.db2.gz BJKWNOVVDQUOOC-OAHLLOKOSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000095015728 249043445 /nfs/dbraw/zinc/04/34/45/249043445.db2.gz CKQQBMVDHXCPRR-MAUKXSAKSA-N 2 1 274.452 3.457 20 0 CGADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166684869 542175962 /nfs/dbraw/zinc/17/59/62/542175962.db2.gz NQCIDWMUFCHNSV-KBAYOESNSA-N 2 1 272.436 3.315 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000249737907 377527743 /nfs/dbraw/zinc/52/77/43/377527743.db2.gz HEEZPRQRBRSBDB-WFASDCNBSA-N 2 1 294.439 3.294 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000249737907 377527747 /nfs/dbraw/zinc/52/77/47/377527747.db2.gz HEEZPRQRBRSBDB-WFASDCNBSA-N 2 1 294.439 3.294 20 0 CGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312747844 249082733 /nfs/dbraw/zinc/08/27/33/249082733.db2.gz QKKKQALWFVHUPH-CBAPKCEASA-N 2 1 279.236 3.272 20 0 CGADMP c1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000414915925 249124043 /nfs/dbraw/zinc/12/40/43/249124043.db2.gz NNWAWBSGLFAPSJ-MRXNPFEDSA-N 2 1 288.435 3.240 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CCSCC1 ZINC000249953582 377544067 /nfs/dbraw/zinc/54/40/67/377544067.db2.gz IYYZTIBMMBHIAH-RBSFLKMASA-N 2 1 284.513 3.228 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CCSCC1 ZINC000249953582 377544076 /nfs/dbraw/zinc/54/40/76/377544076.db2.gz IYYZTIBMMBHIAH-RBSFLKMASA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000169034135 542177958 /nfs/dbraw/zinc/17/79/58/542177958.db2.gz HHEDRHHRIHYLEY-QKPAOTATSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000169034135 542177961 /nfs/dbraw/zinc/17/79/61/542177961.db2.gz HHEDRHHRIHYLEY-QKPAOTATSA-N 2 1 250.430 3.172 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000469997121 249165431 /nfs/dbraw/zinc/16/54/31/249165431.db2.gz VWASINHPWABCLN-FUHWJXTLSA-N 2 1 274.452 3.187 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000250151459 377555191 /nfs/dbraw/zinc/55/51/91/377555191.db2.gz XTCPCHMAHPULNG-HIFRSBDPSA-N 2 1 276.449 3.155 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(OC(F)F)cc1C ZINC000469856590 249160366 /nfs/dbraw/zinc/16/03/66/249160366.db2.gz OOMJHCKYGYHVIF-QWHCGFSZSA-N 2 1 298.377 3.074 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(OC(F)F)cc1C ZINC000469856590 249160368 /nfs/dbraw/zinc/16/03/68/249160368.db2.gz OOMJHCKYGYHVIF-QWHCGFSZSA-N 2 1 298.377 3.074 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000470019521 249166313 /nfs/dbraw/zinc/16/63/13/249166313.db2.gz GCEHRBSZFTUAJS-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000514760691 249188323 /nfs/dbraw/zinc/18/83/23/249188323.db2.gz UADKSNGBFLYBKR-USXIJHARSA-N 2 1 264.457 3.300 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000515071018 249200477 /nfs/dbraw/zinc/20/04/77/249200477.db2.gz AXLAEXSIPZKFAN-ZDUSSCGKSA-N 2 1 282.391 3.099 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)C1 ZINC000516215313 249228952 /nfs/dbraw/zinc/22/89/52/249228952.db2.gz PBXGIADDNVUNSB-QFHJOOASSA-N 2 1 286.463 3.499 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000251861852 377600486 /nfs/dbraw/zinc/60/04/86/377600486.db2.gz SXCFFKOZARWNDY-YZDRTPDPSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000180700133 542213545 /nfs/dbraw/zinc/21/35/45/542213545.db2.gz VEEHNBDGPNHRDZ-ZDUSSCGKSA-N 2 1 290.455 3.166 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000574157104 377626600 /nfs/dbraw/zinc/62/66/00/377626600.db2.gz PHOMVRPHNUKWTI-LLVKDONJSA-N 2 1 293.461 3.042 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000574157104 377626604 /nfs/dbraw/zinc/62/66/04/377626604.db2.gz PHOMVRPHNUKWTI-LLVKDONJSA-N 2 1 293.461 3.042 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674663 377650149 /nfs/dbraw/zinc/65/01/49/377650149.db2.gz TZFWQBZERAFJHG-KBPBESRZSA-N 2 1 296.361 3.004 20 0 CGADMP FC(F)Oc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674663 377650155 /nfs/dbraw/zinc/65/01/55/377650155.db2.gz TZFWQBZERAFJHG-KBPBESRZSA-N 2 1 296.361 3.004 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 ZINC000574365811 377654501 /nfs/dbraw/zinc/65/45/01/377654501.db2.gz HZLBLPRTGWOEKP-YESZJQIVSA-N 2 1 274.452 3.499 20 0 CGADMP CCC1CC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000342628166 377697289 /nfs/dbraw/zinc/69/72/89/377697289.db2.gz QOGJLDZYHZDDCT-FHERZECASA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253353167 377685438 /nfs/dbraw/zinc/68/54/38/377685438.db2.gz SGGHYTHDNWXKCM-IPMKNSEASA-N 2 1 284.447 3.453 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000574796619 377710945 /nfs/dbraw/zinc/71/09/45/377710945.db2.gz IWKXTXCTFLKMOM-VNQPRFMTSA-N 2 1 278.465 3.095 20 0 CGADMP C[C@H](Cc1ccsc1)[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000574796619 377710957 /nfs/dbraw/zinc/71/09/57/377710957.db2.gz IWKXTXCTFLKMOM-VNQPRFMTSA-N 2 1 278.465 3.095 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255338131 377751608 /nfs/dbraw/zinc/75/16/08/377751608.db2.gz RYXPYIQKXMLRJL-ABCZVMIZSA-N 2 1 278.827 3.237 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255338131 377751616 /nfs/dbraw/zinc/75/16/16/377751616.db2.gz RYXPYIQKXMLRJL-ABCZVMIZSA-N 2 1 278.827 3.237 20 0 CGADMP Fc1cncc([C@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)c1 ZINC000342734966 377764973 /nfs/dbraw/zinc/76/49/73/377764973.db2.gz KQFRWNSDWAZOSA-QGZVFWFLSA-N 2 1 291.414 3.137 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261697509 377838848 /nfs/dbraw/zinc/83/88/48/377838848.db2.gz CDCJSDRFKKHJKS-IRXDYDNUSA-N 2 1 258.409 3.132 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000564822762 322044965 /nfs/dbraw/zinc/04/49/65/322044965.db2.gz MQVWFEXVTAPXBR-LBPRGKRZSA-N 2 1 277.437 3.335 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261942906 377871486 /nfs/dbraw/zinc/87/14/86/377871486.db2.gz MXSOOOMMCRACLS-MDASCCDHSA-N 2 1 298.405 3.356 20 0 CGADMP C[C@H](C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261942906 377871490 /nfs/dbraw/zinc/87/14/90/377871490.db2.gz MXSOOOMMCRACLS-MDASCCDHSA-N 2 1 298.405 3.356 20 0 CGADMP CC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262037068 377881574 /nfs/dbraw/zinc/88/15/74/377881574.db2.gz XVCZNNIVWZIJQW-NVXWUHKLSA-N 2 1 260.425 3.254 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262115645 377888521 /nfs/dbraw/zinc/88/85/21/377888521.db2.gz WVPMRPWNAOWMOG-SFHVURJKSA-N 2 1 284.403 3.181 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000342861319 377843501 /nfs/dbraw/zinc/84/35/01/377843501.db2.gz WVZUVONVFGTREJ-MRXNPFEDSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000342861319 377843506 /nfs/dbraw/zinc/84/35/06/377843506.db2.gz WVZUVONVFGTREJ-MRXNPFEDSA-N 2 1 263.429 3.340 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261734694 377846561 /nfs/dbraw/zinc/84/65/61/377846561.db2.gz LODHVWAUZWDSDP-UAGQMJEPSA-N 2 1 272.436 3.153 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000578342207 378060314 /nfs/dbraw/zinc/06/03/14/378060314.db2.gz NCBUVIGCJRMZLF-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268825175 378122439 /nfs/dbraw/zinc/12/24/39/378122439.db2.gz TYBQPRIMKKPBAM-QAPCUYQASA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000268825175 378122446 /nfs/dbraw/zinc/12/24/46/378122446.db2.gz TYBQPRIMKKPBAM-QAPCUYQASA-N 2 1 272.436 3.429 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000268838366 378127168 /nfs/dbraw/zinc/12/71/68/378127168.db2.gz UXZPDOLTHFOGLZ-GOSISDBHSA-N 2 1 283.419 3.111 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268871263 378137029 /nfs/dbraw/zinc/13/70/29/378137029.db2.gz PASYVITXJLHIHB-AWEZNQCLSA-N 2 1 287.407 3.331 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000268785151 378111224 /nfs/dbraw/zinc/11/12/24/378111224.db2.gz DOQSMWVXNOQHLY-ZDUSSCGKSA-N 2 1 269.392 3.031 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000579846828 378201290 /nfs/dbraw/zinc/20/12/90/378201290.db2.gz IREVZQCQNQACNA-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000345172732 378213594 /nfs/dbraw/zinc/21/35/94/378213594.db2.gz LWDSRADCABIKFM-UHFFFAOYSA-N 2 1 291.464 3.152 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)CC1CC[NH+](C)CC1 ZINC000579646170 378179946 /nfs/dbraw/zinc/17/99/46/378179946.db2.gz GMXBQQVYMXBSRS-ARJAWSKDSA-N 2 1 294.389 3.252 20 0 CGADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000269856796 378273951 /nfs/dbraw/zinc/27/39/51/378273951.db2.gz HJPNBYRSLPXKCO-ZBEGNZNMSA-N 2 1 292.373 3.026 20 0 CGADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000269856796 378273957 /nfs/dbraw/zinc/27/39/57/378273957.db2.gz HJPNBYRSLPXKCO-ZBEGNZNMSA-N 2 1 292.373 3.026 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)ccc1F ZINC000269901664 378279232 /nfs/dbraw/zinc/27/92/32/378279232.db2.gz ZLGVANZCBXVOMH-UHFFFAOYSA-N 2 1 281.762 3.164 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269952863 378287587 /nfs/dbraw/zinc/28/75/87/378287587.db2.gz JRBBCTHWIGTMSZ-CVEARBPZSA-N 2 1 297.446 3.235 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000565512817 322080161 /nfs/dbraw/zinc/08/01/61/322080161.db2.gz OYUBRJDBLSRIIZ-UAGQMJEPSA-N 2 1 264.457 3.395 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000583743493 378342457 /nfs/dbraw/zinc/34/24/57/378342457.db2.gz SINDTQNHZCQQPN-QAPCUYQASA-N 2 1 272.436 3.386 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000270553752 378368579 /nfs/dbraw/zinc/36/85/79/378368579.db2.gz CAJNXPZKJRCNTL-UHFFFAOYSA-N 2 1 287.382 3.038 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000270553752 378368583 /nfs/dbraw/zinc/36/85/83/378368583.db2.gz CAJNXPZKJRCNTL-UHFFFAOYSA-N 2 1 287.382 3.038 20 0 CGADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000584080669 378373781 /nfs/dbraw/zinc/37/37/81/378373781.db2.gz NBQRGBUOFFSWFI-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000584080669 378373783 /nfs/dbraw/zinc/37/37/83/378373783.db2.gz NBQRGBUOFFSWFI-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000584080669 378373787 /nfs/dbraw/zinc/37/37/87/378373787.db2.gz NBQRGBUOFFSWFI-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3ncccc3c2)C1 ZINC000271179092 378472922 /nfs/dbraw/zinc/47/29/22/378472922.db2.gz JCCCGOBHBSHVGC-QGZVFWFLSA-N 2 1 297.446 3.399 20 0 CGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000346299513 378537043 /nfs/dbraw/zinc/53/70/43/378537043.db2.gz BIBGNLSPUGDWGH-ZDUSSCGKSA-N 2 1 275.371 3.414 20 0 CGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000346299513 378537047 /nfs/dbraw/zinc/53/70/47/378537047.db2.gz BIBGNLSPUGDWGH-ZDUSSCGKSA-N 2 1 275.371 3.414 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000346506759 378598930 /nfs/dbraw/zinc/59/89/30/378598930.db2.gz QCVVETLKCNQSRN-GUYCJALGSA-N 2 1 286.350 3.435 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346506760 378599155 /nfs/dbraw/zinc/59/91/55/378599155.db2.gz QCVVETLKCNQSRN-SUMWQHHRSA-N 2 1 286.350 3.435 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000346538795 378611071 /nfs/dbraw/zinc/61/10/71/378611071.db2.gz KWWGRVFJKZDTNI-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000346538795 378611074 /nfs/dbraw/zinc/61/10/74/378611074.db2.gz KWWGRVFJKZDTNI-UKRRQHHQSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000346667855 378669504 /nfs/dbraw/zinc/66/95/04/378669504.db2.gz ZEIRGFXZKTZPIC-TZMCWYRMSA-N 2 1 298.377 3.074 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000272579907 378669822 /nfs/dbraw/zinc/66/98/22/378669822.db2.gz UYZXFNBMWWQJMJ-OAHLLOKOSA-N 2 1 274.408 3.145 20 0 CGADMP C(C[C@@H]1CCO1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638022650 378673239 /nfs/dbraw/zinc/67/32/39/378673239.db2.gz KFGQNLTUXRNLOE-QZTJIDSGSA-N 2 1 294.483 3.144 20 0 CGADMP CC[C@](C)(C[N@@H+]1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1)OC ZINC000637953582 378644243 /nfs/dbraw/zinc/64/42/43/378644243.db2.gz VLNAKPIBSJWGFU-LUKYLMHMSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@@H]([NH2+]C1(C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272853275 378713220 /nfs/dbraw/zinc/71/32/20/378713220.db2.gz SXJPSGMIWVVUSX-WBVHZDCISA-N 2 1 272.436 3.429 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181251 378724583 /nfs/dbraw/zinc/72/45/83/378724583.db2.gz YGHZXAQKFORIDT-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181251 378724590 /nfs/dbraw/zinc/72/45/90/378724590.db2.gz YGHZXAQKFORIDT-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181251 378724594 /nfs/dbraw/zinc/72/45/94/378724594.db2.gz YGHZXAQKFORIDT-LPHOPBHVSA-N 2 1 295.430 3.151 20 0 CGADMP C[C@H](NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638409240 378793348 /nfs/dbraw/zinc/79/33/48/378793348.db2.gz WNPZZFHMZVOYFB-RFQIPJPRSA-N 2 1 288.426 3.376 20 0 CGADMP C[C@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638409240 378793356 /nfs/dbraw/zinc/79/33/56/378793356.db2.gz WNPZZFHMZVOYFB-RFQIPJPRSA-N 2 1 288.426 3.376 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC000348104655 378794678 /nfs/dbraw/zinc/79/46/78/378794678.db2.gz CHKUGYCGZULUFS-OCCSQVGLSA-N 2 1 250.386 3.031 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC000348104655 378794684 /nfs/dbraw/zinc/79/46/84/378794684.db2.gz CHKUGYCGZULUFS-OCCSQVGLSA-N 2 1 250.386 3.031 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC000638563211 378835487 /nfs/dbraw/zinc/83/54/87/378835487.db2.gz JXNYYUQXGDBYRU-BBRMVZONSA-N 2 1 278.465 3.122 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@H]12 ZINC000346829868 218027648 /nfs/dbraw/zinc/02/76/48/218027648.db2.gz OEJOMPLHXLFICF-AEGPPILISA-N 2 1 272.417 3.070 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Cl ZINC000346849806 218036435 /nfs/dbraw/zinc/03/64/35/218036435.db2.gz SKHLMZJKOZYHNR-OFQRWUPVSA-N 2 1 278.827 3.208 20 0 CGADMP CC(C)O[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000638707708 378884920 /nfs/dbraw/zinc/88/49/20/378884920.db2.gz KLUFSUVVIDZUEQ-RYQLBKOJSA-N 2 1 290.451 3.225 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2F)C[C@@H]1C ZINC000346959554 218071160 /nfs/dbraw/zinc/07/11/60/218071160.db2.gz PMFLKWJTLWEYBP-GOEBONIOSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2F)C[C@@H]1C ZINC000346959554 218071161 /nfs/dbraw/zinc/07/11/61/218071161.db2.gz PMFLKWJTLWEYBP-GOEBONIOSA-N 2 1 278.415 3.173 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2F)C[C@@H]1C ZINC000346959554 218071162 /nfs/dbraw/zinc/07/11/62/218071162.db2.gz PMFLKWJTLWEYBP-GOEBONIOSA-N 2 1 278.415 3.173 20 0 CGADMP FCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638756065 378900090 /nfs/dbraw/zinc/90/00/90/378900090.db2.gz DQIFZESOQCKEHK-DOTOQJQBSA-N 2 1 276.399 3.304 20 0 CGADMP FCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638756065 378900092 /nfs/dbraw/zinc/90/00/92/378900092.db2.gz DQIFZESOQCKEHK-DOTOQJQBSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000278509811 194020121 /nfs/dbraw/zinc/02/01/21/194020121.db2.gz PMLRKTMVGOAHEJ-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000278509811 194020123 /nfs/dbraw/zinc/02/01/23/194020123.db2.gz PMLRKTMVGOAHEJ-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000278509811 194020124 /nfs/dbraw/zinc/02/01/24/194020124.db2.gz PMLRKTMVGOAHEJ-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000278509811 194020126 /nfs/dbraw/zinc/02/01/26/194020126.db2.gz PMLRKTMVGOAHEJ-NJAFHUGGSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000278509809 194020139 /nfs/dbraw/zinc/02/01/39/194020139.db2.gz PMLRKTMVGOAHEJ-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000278509809 194020141 /nfs/dbraw/zinc/02/01/41/194020141.db2.gz PMLRKTMVGOAHEJ-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000278509809 194020143 /nfs/dbraw/zinc/02/01/43/194020143.db2.gz PMLRKTMVGOAHEJ-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000278509809 194020144 /nfs/dbraw/zinc/02/01/44/194020144.db2.gz PMLRKTMVGOAHEJ-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CCC[N@@H+](Cc1ccc(OC(C)C)cc1)C1CC[NH2+]CC1 ZINC000347035957 218100248 /nfs/dbraw/zinc/10/02/48/218100248.db2.gz DSRZVVFIZBZAGH-UHFFFAOYSA-N 2 1 290.451 3.438 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241387 378951823 /nfs/dbraw/zinc/95/18/23/378951823.db2.gz GWRUZEOGPRHITI-WFASDCNBSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241387 378951828 /nfs/dbraw/zinc/95/18/28/378951828.db2.gz GWRUZEOGPRHITI-WFASDCNBSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241387 378951833 /nfs/dbraw/zinc/95/18/33/378951833.db2.gz GWRUZEOGPRHITI-WFASDCNBSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000275241387 378951839 /nfs/dbraw/zinc/95/18/39/378951839.db2.gz GWRUZEOGPRHITI-WFASDCNBSA-N 2 1 298.377 3.060 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC1(F)F ZINC000638969459 378961296 /nfs/dbraw/zinc/96/12/96/378961296.db2.gz HFLVKODYCHPHQD-KYEXWDHISA-N 2 1 286.410 3.273 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000347060943 218108446 /nfs/dbraw/zinc/10/84/46/218108446.db2.gz YGOPFXCQJNFDSO-GXTWGEPZSA-N 2 1 274.433 3.461 20 0 CGADMP CCC[N@H+](Cc1cnc(C(C)C)s1)C1CC[NH2+]CC1 ZINC000347015656 218092993 /nfs/dbraw/zinc/09/29/93/218092993.db2.gz YQHSQKYGHXXZCL-UHFFFAOYSA-N 2 1 281.469 3.231 20 0 CGADMP CCC[N@@H+](Cc1cnc(C(C)C)s1)C1CC[NH2+]CC1 ZINC000347015656 218092995 /nfs/dbraw/zinc/09/29/95/218092995.db2.gz YQHSQKYGHXXZCL-UHFFFAOYSA-N 2 1 281.469 3.231 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000276698668 378981860 /nfs/dbraw/zinc/98/18/60/378981860.db2.gz UAGJZJMLQZANIV-LLVKDONJSA-N 2 1 283.828 3.418 20 0 CGADMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccsc1 ZINC000276905756 379017311 /nfs/dbraw/zinc/01/73/11/379017311.db2.gz JUZPNRIKMKXGPU-AWEZNQCLSA-N 2 1 263.410 3.384 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@H]1COc2ccccc21 ZINC000348776349 379051500 /nfs/dbraw/zinc/05/15/00/379051500.db2.gz PXYLSNBUASKQIP-YQQAZPJKSA-N 2 1 288.435 3.015 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCSc2ccccc2)CC1 ZINC000277087419 379065279 /nfs/dbraw/zinc/06/52/79/379065279.db2.gz FRGQFDXJNXTOFA-OAHLLOKOSA-N 2 1 278.465 3.195 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)CC1 ZINC000277340111 379135250 /nfs/dbraw/zinc/13/52/50/379135250.db2.gz VZWPASDBCOAABE-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)CC1 ZINC000277340111 379135258 /nfs/dbraw/zinc/13/52/58/379135258.db2.gz VZWPASDBCOAABE-HNNXBMFYSA-N 2 1 296.842 3.135 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)CC1 ZINC000277262249 379113692 /nfs/dbraw/zinc/11/36/92/379113692.db2.gz QYVXZZVWWZMFGG-QGZVFWFLSA-N 2 1 283.419 3.151 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2[nH]ccc21 ZINC000349404626 379266581 /nfs/dbraw/zinc/26/65/81/379266581.db2.gz FWHHVMNUKVNDSZ-UHFFFAOYSA-N 2 1 273.424 3.332 20 0 CGADMP C[C@H](CC[NH2+]C[C@@H]1CCSC1)[N@@H+](C)Cc1ccccc1 ZINC000278319041 379345412 /nfs/dbraw/zinc/34/54/12/379345412.db2.gz DSQVDQWUXIXTCS-WBVHZDCISA-N 2 1 292.492 3.240 20 0 CGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C2 ZINC000278920805 194212850 /nfs/dbraw/zinc/21/28/50/194212850.db2.gz HYZOQJJPZZOLQC-SJLPKXTDSA-N 2 1 295.430 3.056 20 0 CGADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC1CCC1 ZINC000376559855 379580259 /nfs/dbraw/zinc/58/02/59/379580259.db2.gz ZWZFRHUZNIBSLI-QGZVFWFLSA-N 2 1 294.483 3.144 20 0 CGADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC1CCC1 ZINC000376559855 379580266 /nfs/dbraw/zinc/58/02/66/379580266.db2.gz ZWZFRHUZNIBSLI-QGZVFWFLSA-N 2 1 294.483 3.144 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000640018459 379686932 /nfs/dbraw/zinc/68/69/32/379686932.db2.gz WTQAVYHSWUAZOJ-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(C)c1 ZINC000351489044 379725386 /nfs/dbraw/zinc/72/53/86/379725386.db2.gz BJLFNYLDMVFKHG-UHFFFAOYSA-N 2 1 272.436 3.364 20 0 CGADMP CCC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000347730113 218337298 /nfs/dbraw/zinc/33/72/98/218337298.db2.gz CCLRWDAYDYZMSK-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000347730113 218337301 /nfs/dbraw/zinc/33/73/01/218337301.db2.gz CCLRWDAYDYZMSK-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000347730113 218337303 /nfs/dbraw/zinc/33/73/03/218337303.db2.gz CCLRWDAYDYZMSK-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CCC(=O)CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000347730113 218337305 /nfs/dbraw/zinc/33/73/05/218337305.db2.gz CCLRWDAYDYZMSK-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000267467566 190332343 /nfs/dbraw/zinc/33/23/43/190332343.db2.gz WUIZNJVDSGTIIK-HNNXBMFYSA-N 2 1 292.386 3.338 20 0 CGADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000280731864 379775552 /nfs/dbraw/zinc/77/55/52/379775552.db2.gz GYZKVPHBPZQVPS-DDBAPUKQSA-N 2 1 288.410 3.288 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000267442214 190330853 /nfs/dbraw/zinc/33/08/53/190330853.db2.gz PFJDRYKYSWDYDJ-INIZCTEOSA-N 2 1 269.392 3.140 20 0 CGADMP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352540188 379848980 /nfs/dbraw/zinc/84/89/80/379848980.db2.gz HXFHZWLGOKKXDQ-CYBMUJFWSA-N 2 1 281.469 3.045 20 0 CGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352540188 379848985 /nfs/dbraw/zinc/84/89/85/379848985.db2.gz HXFHZWLGOKKXDQ-CYBMUJFWSA-N 2 1 281.469 3.045 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1F ZINC000352541084 379849550 /nfs/dbraw/zinc/84/95/50/379849550.db2.gz TYVFOJWBURGRDY-NHZBNJEXSA-N 2 1 280.362 3.181 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1F ZINC000352541084 379849553 /nfs/dbraw/zinc/84/95/53/379849553.db2.gz TYVFOJWBURGRDY-NHZBNJEXSA-N 2 1 280.362 3.181 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352546208 379853140 /nfs/dbraw/zinc/85/31/40/379853140.db2.gz RFQXUVQKQULOQY-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352546208 379853144 /nfs/dbraw/zinc/85/31/44/379853144.db2.gz RFQXUVQKQULOQY-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CCc1noc(C)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533453 379819050 /nfs/dbraw/zinc/81/90/50/379819050.db2.gz RWJQJUGCUJVJPA-UHFFFAOYSA-N 2 1 293.455 3.243 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(C2CC2)no1 ZINC000640533069 379820458 /nfs/dbraw/zinc/82/04/58/379820458.db2.gz BPZRLJOYRTUSDY-UHFFFAOYSA-N 2 1 291.439 3.250 20 0 CGADMP C[C@H]1CC[C@H](C)N1[C@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716837 379920824 /nfs/dbraw/zinc/92/08/24/379920824.db2.gz HQPZSYMWCYVOIX-AVEIZBFRSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000282459023 379924415 /nfs/dbraw/zinc/92/44/15/379924415.db2.gz VNDQZIYCZZKZTF-LBTNJELSSA-N 2 1 285.435 3.029 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)[C@H]1CC1(C)C ZINC000397669809 379924446 /nfs/dbraw/zinc/92/44/46/379924446.db2.gz FLMUPEJFSXZCDY-ZNMIVQPWSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000352607840 379875047 /nfs/dbraw/zinc/87/50/47/379875047.db2.gz AQTKYMQDLPPCNW-KRWDZBQOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000352607840 379875052 /nfs/dbraw/zinc/87/50/52/379875052.db2.gz AQTKYMQDLPPCNW-KRWDZBQOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(F)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000352607840 379875059 /nfs/dbraw/zinc/87/50/59/379875059.db2.gz AQTKYMQDLPPCNW-KRWDZBQOSA-N 2 1 278.415 3.440 20 0 CGADMP Cc1ccc(F)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000352607840 379875065 /nfs/dbraw/zinc/87/50/65/379875065.db2.gz AQTKYMQDLPPCNW-KRWDZBQOSA-N 2 1 278.415 3.440 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000387654091 379878015 /nfs/dbraw/zinc/87/80/15/379878015.db2.gz LINIINRCDKKBGF-XHSDSOJGSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(Cl)c2)C1 ZINC000282652949 379963200 /nfs/dbraw/zinc/96/32/00/379963200.db2.gz MAIAMBANEUQYPP-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP C[C@H](F)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352821295 379980754 /nfs/dbraw/zinc/98/07/54/379980754.db2.gz ANPWQYDESYJACZ-FUHWJXTLSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H](F)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352821295 379980762 /nfs/dbraw/zinc/98/07/62/379980762.db2.gz ANPWQYDESYJACZ-FUHWJXTLSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H](F)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352821295 379980775 /nfs/dbraw/zinc/98/07/75/379980775.db2.gz ANPWQYDESYJACZ-FUHWJXTLSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@H]1CC([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H](C)C1 ZINC000352761580 379946275 /nfs/dbraw/zinc/94/62/75/379946275.db2.gz CCMFJADHDVPSBA-VXGBXAGGSA-N 2 1 281.469 3.119 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000401729459 379958657 /nfs/dbraw/zinc/95/86/57/379958657.db2.gz AOVGEQQYDCJBLI-DYVFJYSZSA-N 2 1 269.392 3.191 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC000409446016 380032980 /nfs/dbraw/zinc/03/29/80/380032980.db2.gz AWZCKYLSKAQCNW-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000409446016 380032984 /nfs/dbraw/zinc/03/29/84/380032984.db2.gz AWZCKYLSKAQCNW-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC000409446016 380032977 /nfs/dbraw/zinc/03/29/77/380032977.db2.gz AWZCKYLSKAQCNW-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921421 380040293 /nfs/dbraw/zinc/04/02/93/380040293.db2.gz IJRNTEUDBFLPGS-FNNOIMFVSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921421 380040295 /nfs/dbraw/zinc/04/02/95/380040295.db2.gz IJRNTEUDBFLPGS-FNNOIMFVSA-N 2 1 294.483 3.139 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921421 380040300 /nfs/dbraw/zinc/04/03/00/380040300.db2.gz IJRNTEUDBFLPGS-FNNOIMFVSA-N 2 1 294.483 3.139 20 0 CGADMP CN1CC[C@@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931825 380046078 /nfs/dbraw/zinc/04/60/78/380046078.db2.gz OEJQDRLMNCUJPL-MLGOLLRUSA-N 2 1 288.366 3.098 20 0 CGADMP CN1CC[C@@H]2CC[N@@H+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931825 380046090 /nfs/dbraw/zinc/04/60/90/380046090.db2.gz OEJQDRLMNCUJPL-MLGOLLRUSA-N 2 1 288.366 3.098 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000641798279 380111842 /nfs/dbraw/zinc/11/18/42/380111842.db2.gz DOVPLCZPUYLXPB-UPJWGTAASA-N 2 1 289.448 3.102 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000641798279 380111847 /nfs/dbraw/zinc/11/18/47/380111847.db2.gz DOVPLCZPUYLXPB-UPJWGTAASA-N 2 1 289.448 3.102 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000284125562 380126966 /nfs/dbraw/zinc/12/69/66/380126966.db2.gz NZWMSRBZOUZWFG-CQSZACIVSA-N 2 1 286.423 3.101 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000642631044 380184241 /nfs/dbraw/zinc/18/42/41/380184241.db2.gz ZJVNAXFIPQCWPC-ROUUACIJSA-N 2 1 272.436 3.356 20 0 CGADMP C(C[N@@H+](C1CC1)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643056793 380209153 /nfs/dbraw/zinc/20/91/53/380209153.db2.gz JKWYQWOIEJIUSA-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000414329124 380215011 /nfs/dbraw/zinc/21/50/11/380215011.db2.gz IBIANBUDUSQERA-FXUDXRNXSA-N 2 1 294.483 3.185 20 0 CGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]CC[NH2+]C3CC3)C2)c1 ZINC000643508238 380332210 /nfs/dbraw/zinc/33/22/10/380332210.db2.gz VYQLPDRKVFEGCY-CJNGLKHVSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(-c2ccncc2)c1 ZINC000643512594 380334487 /nfs/dbraw/zinc/33/44/87/380334487.db2.gz HFYRSYNMWWZWFK-ACJLOTCBSA-N 2 1 281.403 3.137 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCSC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414671597 380363942 /nfs/dbraw/zinc/36/39/42/380363942.db2.gz GNELJMNQLUPGOE-VYDXJSESSA-N 2 1 290.476 3.165 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414695761 380377930 /nfs/dbraw/zinc/37/79/30/380377930.db2.gz OVMDFMZGQMUFEW-IIAWOOMASA-N 2 1 276.399 3.003 20 0 CGADMP CC[N@H+](Cc1c(F)cccc1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414697402 380379102 /nfs/dbraw/zinc/37/91/02/380379102.db2.gz QWCCNOBREXYCIG-OLZOCXBDSA-N 2 1 282.378 3.175 20 0 CGADMP C[C@@H](C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000414698662 380380419 /nfs/dbraw/zinc/38/04/19/380380419.db2.gz SGTXQSPTLHDLSZ-XHSDSOJGSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H](C[N@@H+](C)CCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000414746076 380390690 /nfs/dbraw/zinc/39/06/90/380390690.db2.gz QCBYEMASUJHLSC-JTQLQIEISA-N 2 1 291.222 3.041 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000414748469 380390912 /nfs/dbraw/zinc/39/09/12/380390912.db2.gz IPSFJZJJIILLGO-SJLPKXTDSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC000414756406 380392915 /nfs/dbraw/zinc/39/29/15/380392915.db2.gz QRGBXQGIBLEIBF-RYUDHWBXSA-N 2 1 284.806 3.299 20 0 CGADMP CCCc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000414753289 380393044 /nfs/dbraw/zinc/39/30/44/380393044.db2.gz QGMCESPIVYESCZ-KRWDZBQOSA-N 2 1 260.425 3.213 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000643528349 380345554 /nfs/dbraw/zinc/34/55/54/380345554.db2.gz HJSPFGIJXXXQKE-RYUDHWBXSA-N 2 1 260.406 3.413 20 0 CGADMP C[NH2+][C@@H]1CC[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414649158 380350869 /nfs/dbraw/zinc/35/08/69/380350869.db2.gz CAFBSPPHVXQYOD-VMWRSERWSA-N 2 1 272.436 3.254 20 0 CGADMP C[NH2+][C@@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414649158 380350874 /nfs/dbraw/zinc/35/08/74/380350874.db2.gz CAFBSPPHVXQYOD-VMWRSERWSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1F ZINC000354168677 380353320 /nfs/dbraw/zinc/35/33/20/380353320.db2.gz ZUWGLAPKMZTXLA-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1F ZINC000354168677 380353323 /nfs/dbraw/zinc/35/33/23/380353323.db2.gz ZUWGLAPKMZTXLA-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1F ZINC000354168677 380353325 /nfs/dbraw/zinc/35/33/25/380353325.db2.gz ZUWGLAPKMZTXLA-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1F ZINC000354168677 380353328 /nfs/dbraw/zinc/35/33/28/380353328.db2.gz ZUWGLAPKMZTXLA-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414655667 380353730 /nfs/dbraw/zinc/35/37/30/380353730.db2.gz DSXPCNIAPBOIDC-MVJTYMMSSA-N 2 1 272.436 3.166 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4occc4c3)C2)C1 ZINC000354177204 380355360 /nfs/dbraw/zinc/35/53/60/380355360.db2.gz OHGXQKNNYQMRHN-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4occc4c3)C2)C1 ZINC000354177204 380355361 /nfs/dbraw/zinc/35/53/61/380355361.db2.gz OHGXQKNNYQMRHN-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4occc4c3)C2)C1 ZINC000354177204 380355366 /nfs/dbraw/zinc/35/53/66/380355366.db2.gz OHGXQKNNYQMRHN-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4occc4c3)C2)C1 ZINC000354177204 380355369 /nfs/dbraw/zinc/35/53/69/380355369.db2.gz OHGXQKNNYQMRHN-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000354180937 380356468 /nfs/dbraw/zinc/35/64/68/380356468.db2.gz KDXVDQKYODIJEW-RDJZCZTQSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000354180937 380356474 /nfs/dbraw/zinc/35/64/74/380356474.db2.gz KDXVDQKYODIJEW-RDJZCZTQSA-N 2 1 289.467 3.033 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643546432 380359722 /nfs/dbraw/zinc/35/97/22/380359722.db2.gz OQDCATXIBQFPTP-YPMHNXCESA-N 2 1 279.453 3.085 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643546775 380361796 /nfs/dbraw/zinc/36/17/96/380361796.db2.gz UPLIYFCPHMKSIY-WCQYABFASA-N 2 1 293.480 3.339 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]CCSCc1ccccc1 ZINC000414814471 380425760 /nfs/dbraw/zinc/42/57/60/380425760.db2.gz NUQLHIFFPDNVCA-HNNXBMFYSA-N 2 1 266.454 3.027 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]CCSCc1ccccc1 ZINC000414814472 380425826 /nfs/dbraw/zinc/42/58/26/380425826.db2.gz NUQLHIFFPDNVCA-OAHLLOKOSA-N 2 1 266.454 3.027 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000414856971 380457179 /nfs/dbraw/zinc/45/71/79/380457179.db2.gz ZVDXLODKIIRTDY-CQSZACIVSA-N 2 1 252.427 3.054 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C1CCCCC1 ZINC000414839512 380445426 /nfs/dbraw/zinc/44/54/26/380445426.db2.gz LJONPDMKUHFDGC-VGOKWCNXSA-N 2 1 276.399 3.336 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1Cl ZINC000414840005 380448498 /nfs/dbraw/zinc/44/84/98/380448498.db2.gz MBCSZLNCVSYOQT-ZDUSSCGKSA-N 2 1 254.805 3.111 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414855898 380458377 /nfs/dbraw/zinc/45/83/77/380458377.db2.gz XUYWEKDVXVXLFE-LBPRGKRZSA-N 2 1 290.329 3.048 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414780324 380400393 /nfs/dbraw/zinc/40/03/93/380400393.db2.gz LIINAJDPQBUQAL-UONOGXRCSA-N 2 1 296.817 3.301 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414788085 380404498 /nfs/dbraw/zinc/40/44/98/380404498.db2.gz WEKJLCNSUCHOQO-CVEARBPZSA-N 2 1 292.854 3.470 20 0 CGADMP CC(C)(C)c1cnc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414795768 380410852 /nfs/dbraw/zinc/41/08/52/380410852.db2.gz HDMTWGQTOIFKEU-VXGBXAGGSA-N 2 1 281.469 3.048 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@H](c2ccccc2)C1 ZINC000414936744 380495447 /nfs/dbraw/zinc/49/54/47/380495447.db2.gz ZJWWMSPBJYCGCV-DZOHQFGASA-N 2 1 272.436 3.300 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[NH2+]1 ZINC000414942969 380500529 /nfs/dbraw/zinc/50/05/29/380500529.db2.gz DXHOIJYBDCJDPT-WCQYABFASA-N 2 1 279.453 3.031 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)CC[NH2+]1 ZINC000414946441 380501651 /nfs/dbraw/zinc/50/16/51/380501651.db2.gz JNWQTNQBIBGUMX-HIFRSBDPSA-N 2 1 270.376 3.177 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000414945782 380502459 /nfs/dbraw/zinc/50/24/59/380502459.db2.gz IVWLUPMSXHCCNK-RNCFNFMXSA-N 2 1 273.207 3.224 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000414945781 380502637 /nfs/dbraw/zinc/50/26/37/380502637.db2.gz IVWLUPMSXHCCNK-NOZJJQNGSA-N 2 1 273.207 3.224 20 0 CGADMP CSc1ccccc1C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415072678 380506964 /nfs/dbraw/zinc/50/69/64/380506964.db2.gz YNBOQRDKHXSACB-CZUORRHYSA-N 2 1 292.492 3.447 20 0 CGADMP COc1ccccc1/C=C\C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414864516 380464002 /nfs/dbraw/zinc/46/40/02/380464002.db2.gz ZJJMCIPUBKGSDJ-NTMALXAHSA-N 2 1 288.435 3.350 20 0 CGADMP c1ccc([C@@H]2CCCC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414867401 380464964 /nfs/dbraw/zinc/46/49/64/380464964.db2.gz ODFIKSHSKVHCKZ-SQNIBIBYSA-N 2 1 272.436 3.445 20 0 CGADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866229 380465466 /nfs/dbraw/zinc/46/54/66/380465466.db2.gz MQWHOCCJGIYFPY-WDEREUQCSA-N 2 1 272.845 3.064 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414873461 380468717 /nfs/dbraw/zinc/46/87/17/380468717.db2.gz XOGGYUGBPHOUMV-IRXDYDNUSA-N 2 1 260.425 3.130 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414873459 380468981 /nfs/dbraw/zinc/46/89/81/380468981.db2.gz XOGGYUGBPHOUMV-DLBZAZTESA-N 2 1 260.425 3.130 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414896987 380477650 /nfs/dbraw/zinc/47/76/50/380477650.db2.gz QLALFWVZWPXTMA-LJQANCHMSA-N 2 1 296.414 3.093 20 0 CGADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901937 380482738 /nfs/dbraw/zinc/48/27/38/380482738.db2.gz HEQWLVYIJSLKMI-QGZVFWFLSA-N 2 1 299.393 3.119 20 0 CGADMP CCCCOc1ccccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906219 380484302 /nfs/dbraw/zinc/48/43/02/380484302.db2.gz MGRSRLPXYIFYTD-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000355315923 380639321 /nfs/dbraw/zinc/63/93/21/380639321.db2.gz NSNPHPPCBRKKRT-UONOGXRCSA-N 2 1 268.470 3.389 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1 ZINC000355542491 380704984 /nfs/dbraw/zinc/70/49/84/380704984.db2.gz FBTSMHSXRXLEBA-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000355542491 380704988 /nfs/dbraw/zinc/70/49/88/380704988.db2.gz FBTSMHSXRXLEBA-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000355542491 380704990 /nfs/dbraw/zinc/70/49/90/380704990.db2.gz FBTSMHSXRXLEBA-KRWDZBQOSA-N 2 1 260.425 3.383 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)CCc2c(F)cccc2F)CC1 ZINC000645789739 380732295 /nfs/dbraw/zinc/73/22/95/380732295.db2.gz RIQMOLNLQAMILU-UHFFFAOYSA-N 2 1 296.405 3.312 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2c(F)cccc2F)CC1 ZINC000645789739 380732299 /nfs/dbraw/zinc/73/22/99/380732299.db2.gz RIQMOLNLQAMILU-UHFFFAOYSA-N 2 1 296.405 3.312 20 0 CGADMP C[N@H+]1CCCC12CCN(CCc1c(F)cccc1F)CC2 ZINC000645845190 380749351 /nfs/dbraw/zinc/74/93/51/380749351.db2.gz QUHARVHVTDGREE-UHFFFAOYSA-N 2 1 294.389 3.068 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000646050413 380810304 /nfs/dbraw/zinc/81/03/04/380810304.db2.gz FBYZEVZBSKHMBG-CVEARBPZSA-N 2 1 275.440 3.340 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000646050413 380810311 /nfs/dbraw/zinc/81/03/11/380810311.db2.gz FBYZEVZBSKHMBG-CVEARBPZSA-N 2 1 275.440 3.340 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000420296118 380845984 /nfs/dbraw/zinc/84/59/84/380845984.db2.gz DCWUMJYVMBBTKJ-NSHDSACASA-N 2 1 299.245 3.351 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420318749 380847286 /nfs/dbraw/zinc/84/72/86/380847286.db2.gz OSWOAASNRQTYML-DOTOQJQBSA-N 2 1 258.409 3.132 20 0 CGADMP CC[C@H](C)C[N@@H+](CC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314574 380849137 /nfs/dbraw/zinc/84/91/37/380849137.db2.gz ZACPKQIJGZTSOP-HOCLYGCPSA-N 2 1 278.440 3.106 20 0 CGADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000420309728 380849155 /nfs/dbraw/zinc/84/91/55/380849155.db2.gz FERSJYNQCVTARM-HIFRSBDPSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1cn[nH]c1 ZINC000358367874 381306055 /nfs/dbraw/zinc/30/60/55/381306055.db2.gz LLLZFJBZRNQUJM-GRDNDAEWSA-N 2 1 290.455 3.103 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000221814112 542287935 /nfs/dbraw/zinc/28/79/35/542287935.db2.gz TYUQTRBLMKFQPB-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334866783 207213671 /nfs/dbraw/zinc/21/36/71/207213671.db2.gz CJFWQTPOHXKRRU-HIFRSBDPSA-N 2 1 264.438 3.021 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000573249310 322378015 /nfs/dbraw/zinc/37/80/15/322378015.db2.gz DKJPFOFGHXYZAA-HRCADAONSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000229546891 542301209 /nfs/dbraw/zinc/30/12/09/542301209.db2.gz CNGISIWVMALRDH-GFCCVEGCSA-N 2 1 268.367 3.427 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CCCC1 ZINC000365065435 382280586 /nfs/dbraw/zinc/28/05/86/382280586.db2.gz QWUOOUOSMQHCEV-CGTJXYLNSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CCCC1 ZINC000365065435 382280593 /nfs/dbraw/zinc/28/05/93/382280593.db2.gz QWUOOUOSMQHCEV-CGTJXYLNSA-N 2 1 294.483 3.046 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364318188 382269096 /nfs/dbraw/zinc/26/90/96/382269096.db2.gz ZBFBZENPIBSRSZ-VVLHAWIVSA-N 2 1 262.441 3.195 20 0 CGADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000366690444 382315240 /nfs/dbraw/zinc/31/52/40/382315240.db2.gz AMJIZGFDXSHNMD-RTBURBONSA-N 2 1 284.447 3.483 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251771019 542347801 /nfs/dbraw/zinc/34/78/01/542347801.db2.gz MMCJBOFTLCFYRN-MAUKXSAKSA-N 2 1 268.404 3.399 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250872455 542344547 /nfs/dbraw/zinc/34/45/47/542344547.db2.gz METOQNMLEDZENG-ZIAGYGMSSA-N 2 1 264.438 3.021 20 0 CGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251090132 542345134 /nfs/dbraw/zinc/34/51/34/542345134.db2.gz IEZMBBYJSLXUJN-FQUUOJAGSA-N 2 1 290.373 3.324 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474606992 285013481 /nfs/dbraw/zinc/01/34/81/285013481.db2.gz NKYXXLRLJIJUTH-SJLPKXTDSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000268843636 542361864 /nfs/dbraw/zinc/36/18/64/542361864.db2.gz AJNUWRJESRAAAG-XKDXWZMYSA-N 2 1 297.402 3.151 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(COC)c2)C[C@@H]1C ZINC000353745284 220296442 /nfs/dbraw/zinc/29/64/42/220296442.db2.gz IJHWVFSDXZHUMN-YJBOKZPZSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(COC)c2)C[C@@H]1C ZINC000353745284 220296443 /nfs/dbraw/zinc/29/64/43/220296443.db2.gz IJHWVFSDXZHUMN-YJBOKZPZSA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(COC)c2)C[C@@H]1C ZINC000353745284 220296446 /nfs/dbraw/zinc/29/64/46/220296446.db2.gz IJHWVFSDXZHUMN-YJBOKZPZSA-N 2 1 290.451 3.138 20 0 CGADMP CC[N@H+](Cc1cncs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289181559 197256098 /nfs/dbraw/zinc/25/60/98/197256098.db2.gz ANMRCSYFRITASA-UHFFFAOYSA-N 2 1 289.448 3.227 20 0 CGADMP CC[N@@H+](Cc1cncs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289181559 197256100 /nfs/dbraw/zinc/25/61/00/197256100.db2.gz ANMRCSYFRITASA-UHFFFAOYSA-N 2 1 289.448 3.227 20 0 CGADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000281247921 195166201 /nfs/dbraw/zinc/16/62/01/195166201.db2.gz NSLIGLQLSKUHQJ-DOTOQJQBSA-N 2 1 287.451 3.100 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC000390836046 262349904 /nfs/dbraw/zinc/34/99/04/262349904.db2.gz JJCQDYDHRLPMNA-KHEOEIQESA-N 2 1 264.457 3.416 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000179493335 260051834 /nfs/dbraw/zinc/05/18/34/260051834.db2.gz PGHDFXJFYVQZIQ-UHFFFAOYSA-N 2 1 283.419 3.202 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000179493335 260051835 /nfs/dbraw/zinc/05/18/35/260051835.db2.gz PGHDFXJFYVQZIQ-UHFFFAOYSA-N 2 1 283.419 3.202 20 0 CGADMP COC[C@]1(C[NH2+][C@H](C)c2cccc3ccccc32)CCC[NH2+]1 ZINC000423439703 533237214 /nfs/dbraw/zinc/23/72/14/533237214.db2.gz VKDOUNJJFZWDSE-DNVCBOLYSA-N 2 1 298.430 3.259 20 0 CGADMP CO[C@@H](C)C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411726596 533330080 /nfs/dbraw/zinc/33/00/80/533330080.db2.gz PUGGNCVIDZTTKK-INIZCTEOSA-N 2 1 290.451 3.139 20 0 CGADMP COc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000376001368 533477672 /nfs/dbraw/zinc/47/76/72/533477672.db2.gz UQZXIMMPDRHPKZ-UHFFFAOYSA-N 2 1 288.435 3.003 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414216994 533539236 /nfs/dbraw/zinc/53/92/36/533539236.db2.gz BKSWWPHGXHCZAN-OIISXLGYSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000424200711 533659348 /nfs/dbraw/zinc/65/93/48/533659348.db2.gz GVVLRDIGEVKBID-GYFISPQKSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000424200711 533659353 /nfs/dbraw/zinc/65/93/53/533659353.db2.gz GVVLRDIGEVKBID-GYFISPQKSA-N 2 1 284.447 3.428 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1 ZINC000378896872 542593295 /nfs/dbraw/zinc/59/32/95/542593295.db2.gz VFOGFSWISFBYFN-SQNIBIBYSA-N 2 1 272.436 3.287 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000414169232 542634102 /nfs/dbraw/zinc/63/41/02/542634102.db2.gz AXMHOVZMMWRERJ-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CS1 ZINC000414238180 542635000 /nfs/dbraw/zinc/63/50/00/542635000.db2.gz XEYFESWHXBRKEY-SIXLDLHFSA-N 2 1 290.476 3.306 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CS1 ZINC000414238180 542635005 /nfs/dbraw/zinc/63/50/05/542635005.db2.gz XEYFESWHXBRKEY-SIXLDLHFSA-N 2 1 290.476 3.306 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000415006658 542641928 /nfs/dbraw/zinc/64/19/28/542641928.db2.gz KUTDBTOBMNXPAG-ZIAGYGMSSA-N 2 1 254.377 3.179 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000036908349 391978335 /nfs/dbraw/zinc/97/83/35/391978335.db2.gz XRCYVSZJJYKQKG-INMHGKMJSA-N 2 1 282.472 3.044 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000054241179 392090393 /nfs/dbraw/zinc/09/03/93/392090393.db2.gz HEEZPRQRBRSBDB-IUODEOHRSA-N 2 1 294.439 3.294 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000054241179 392090403 /nfs/dbraw/zinc/09/04/03/392090403.db2.gz HEEZPRQRBRSBDB-IUODEOHRSA-N 2 1 294.439 3.294 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000071122060 392188702 /nfs/dbraw/zinc/18/87/02/392188702.db2.gz CASRKBJUFODVAX-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000071122060 392188706 /nfs/dbraw/zinc/18/87/06/392188706.db2.gz CASRKBJUFODVAX-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP COCC1(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000361333998 392278547 /nfs/dbraw/zinc/27/85/47/392278547.db2.gz DCKPDPVMGNSBBK-HZPDHXFCSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2[nH]1 ZINC000285808606 392332002 /nfs/dbraw/zinc/33/20/02/392332002.db2.gz WHOHUQWUGBDQSF-CJNGLKHVSA-N 2 1 271.408 3.049 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC000237373365 131026182 /nfs/dbraw/zinc/02/61/82/131026182.db2.gz WWFLEGSFPLJIFS-LBPRGKRZSA-N 2 1 277.799 3.271 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(C)c1C ZINC000237548287 131040692 /nfs/dbraw/zinc/04/06/92/131040692.db2.gz NPMAIOWYHFQHBN-CYBMUJFWSA-N 2 1 271.408 3.234 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441351467 542664851 /nfs/dbraw/zinc/66/48/51/542664851.db2.gz JCKNEMDHYHIZPP-KRWDZBQOSA-N 2 1 297.531 3.209 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000249371236 131121034 /nfs/dbraw/zinc/12/10/34/131121034.db2.gz BVKBRCKFCWOLQC-HIFRSBDPSA-N 2 1 276.449 3.155 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000249385195 131121290 /nfs/dbraw/zinc/12/12/90/131121290.db2.gz ZAVWSAUICJGUBU-OLZOCXBDSA-N 2 1 298.377 3.280 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000252392091 131133545 /nfs/dbraw/zinc/13/35/45/131133545.db2.gz SVQDQGQKRDKHMJ-WBTNSWJXSA-N 2 1 260.425 3.108 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(F)F)C[C@@H]1c1ccccc1 ZINC000453226182 542680789 /nfs/dbraw/zinc/68/07/89/542680789.db2.gz XELMIZDHWILMHF-LSDHHAIUSA-N 2 1 282.378 3.457 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)C[C@@H]1c1ccccc1 ZINC000453226182 542680793 /nfs/dbraw/zinc/68/07/93/542680793.db2.gz XELMIZDHWILMHF-LSDHHAIUSA-N 2 1 282.378 3.457 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCCNc1[nH+]cnc2[nH]ccc21 ZINC000263733926 131318362 /nfs/dbraw/zinc/31/83/62/131318362.db2.gz CURDCXJQURMZCD-ZDUSSCGKSA-N 2 1 287.411 3.024 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCCNc1[nH+]cnc2[nH]ccc21 ZINC000263733926 131318363 /nfs/dbraw/zinc/31/83/63/131318363.db2.gz CURDCXJQURMZCD-ZDUSSCGKSA-N 2 1 287.411 3.024 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000119705059 392396337 /nfs/dbraw/zinc/39/63/37/392396337.db2.gz RVEQEEMDLCHHKD-GOSISDBHSA-N 2 1 270.420 3.199 20 0 CGADMP C(C[NH+]1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000365475480 392444488 /nfs/dbraw/zinc/44/44/88/392444488.db2.gz BVVKWTMCAINUDM-CALCHBBNSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CCC[C@H]1C1CC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000365475480 392444491 /nfs/dbraw/zinc/44/44/91/392444491.db2.gz BVVKWTMCAINUDM-CALCHBBNSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CCC[C@H]1C1CC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000365475480 392444498 /nfs/dbraw/zinc/44/44/98/392444498.db2.gz BVVKWTMCAINUDM-CALCHBBNSA-N 2 1 262.441 3.125 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)CC[N@@H+]1C ZINC000129874667 392453649 /nfs/dbraw/zinc/45/36/49/392453649.db2.gz MWOJOAAXLGFILK-OSAQELSMSA-N 2 1 264.438 3.272 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)CC[N@H+]1C ZINC000129874667 392453655 /nfs/dbraw/zinc/45/36/55/392453655.db2.gz MWOJOAAXLGFILK-OSAQELSMSA-N 2 1 264.438 3.272 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000153647194 392524071 /nfs/dbraw/zinc/52/40/71/392524071.db2.gz BKSUVOCVRKAGIP-YJBOKZPZSA-N 2 1 288.479 3.456 20 0 CGADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000293751433 392527083 /nfs/dbraw/zinc/52/70/83/392527083.db2.gz QIVKZTRLOJDDSY-LEUOFYLZSA-N 2 1 288.410 3.288 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000647330113 392674555 /nfs/dbraw/zinc/67/45/55/392674555.db2.gz CTFXLRHPFQTIRT-KRWDZBQOSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccncc1 ZINC000647282314 392635311 /nfs/dbraw/zinc/63/53/11/392635311.db2.gz NPHOOVNRFXPTEE-YJBOKZPZSA-N 2 1 287.451 3.243 20 0 CGADMP C(C[NH+]1CCCC12CCC2)C[N@H+]1CCCC12CCC2 ZINC000373105750 392657638 /nfs/dbraw/zinc/65/76/38/392657638.db2.gz BOJOCTARRWEGBJ-UHFFFAOYSA-N 2 1 262.441 3.414 20 0 CGADMP Fc1cc(Cl)cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482651 392736245 /nfs/dbraw/zinc/73/62/45/392736245.db2.gz VTURSFTVLNMTQU-UHFFFAOYSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(Cl)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482651 392736253 /nfs/dbraw/zinc/73/62/53/392736253.db2.gz VTURSFTVLNMTQU-UHFFFAOYSA-N 2 1 282.790 3.196 20 0 CGADMP C[C@H](CCc1ccccc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482605 392737182 /nfs/dbraw/zinc/73/71/82/392737182.db2.gz SGQDFADJLURSSM-MRXNPFEDSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@@H+](Cc1ccc2cnccc2c1)C1CC[NH2+]CC1 ZINC000647484441 392738993 /nfs/dbraw/zinc/73/89/93/392738993.db2.gz KOJJUGGJXZDWDM-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP CC[C@H]1C[N@H+](Cc2ccc(Cl)c(C)c2)CC[C@@H]1[NH3+] ZINC000647498671 392742605 /nfs/dbraw/zinc/74/26/05/392742605.db2.gz MLDXVSVZVJEDGT-ZFWWWQNUSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(Cl)c(C)c2)CC[C@@H]1[NH3+] ZINC000647498671 392742606 /nfs/dbraw/zinc/74/26/06/392742606.db2.gz MLDXVSVZVJEDGT-ZFWWWQNUSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]C1 ZINC000647514209 392745840 /nfs/dbraw/zinc/74/58/40/392745840.db2.gz PLZZSQFIQJPJTD-QFBILLFUSA-N 2 1 297.446 3.347 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]C1 ZINC000647514210 392746555 /nfs/dbraw/zinc/74/65/55/392746555.db2.gz PLZZSQFIQJPJTD-VQIMIIECSA-N 2 1 297.446 3.347 20 0 CGADMP CC(C)(C)c1ccc(C[NH+]2CCC(C)([NH3+])CC2)s1 ZINC000647531293 392752440 /nfs/dbraw/zinc/75/24/40/392752440.db2.gz MRLSRBVDVHJISS-UHFFFAOYSA-N 2 1 266.454 3.359 20 0 CGADMP CC(C)COc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647531455 392754507 /nfs/dbraw/zinc/75/45/07/392754507.db2.gz XXUVYXOOJJTAGQ-UHFFFAOYSA-N 2 1 276.424 3.035 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543674 392759500 /nfs/dbraw/zinc/75/95/00/392759500.db2.gz RALQEFGAWQWIPC-HOTGVXAUSA-N 2 1 290.426 3.346 20 0 CGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543900 392759542 /nfs/dbraw/zinc/75/95/42/392759542.db2.gz UFOINCAGOWAJOX-LSDHHAIUSA-N 2 1 252.446 3.134 20 0 CGADMP Clc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543025 392760725 /nfs/dbraw/zinc/76/07/25/392760725.db2.gz GTXLZDVZUYMSJR-NEPJUHHUSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543025 392760730 /nfs/dbraw/zinc/76/07/30/392760730.db2.gz GTXLZDVZUYMSJR-NEPJUHHUSA-N 2 1 299.871 3.008 20 0 CGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2csc3ccccc23)C1 ZINC000647550169 392764045 /nfs/dbraw/zinc/76/40/45/392764045.db2.gz DHJIVYYVUZAQKD-GXTWGEPZSA-N 2 1 274.433 3.031 20 0 CGADMP CC[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000647936929 392837905 /nfs/dbraw/zinc/83/79/05/392837905.db2.gz NOJKUZRJEZGFLE-IAQYHMDHSA-N 2 1 284.806 3.081 20 0 CGADMP CC[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000647936929 392837907 /nfs/dbraw/zinc/83/79/07/392837907.db2.gz NOJKUZRJEZGFLE-IAQYHMDHSA-N 2 1 284.806 3.081 20 0 CGADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000647937021 392838004 /nfs/dbraw/zinc/83/80/04/392838004.db2.gz PRQRUDKNHAAGOJ-QXSJWSMHSA-N 2 1 252.446 3.262 20 0 CGADMP Cc1ccc2cc[nH+]c(NC[C@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC000647708329 392786593 /nfs/dbraw/zinc/78/65/93/392786593.db2.gz IRUZYNNPOCAZDT-DZGCQCFKSA-N 2 1 269.392 3.473 20 0 CGADMP Cc1cccc(OCC[N@@H+](C)CCCC2CC[NH2+]CC2)c1 ZINC000647873485 392818860 /nfs/dbraw/zinc/81/88/60/392818860.db2.gz PIGSZODLSYGGPK-UHFFFAOYSA-N 2 1 290.451 3.085 20 0 CGADMP c1ccc2c(c1)CCC[C@H]2[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647879490 392820278 /nfs/dbraw/zinc/82/02/78/392820278.db2.gz ASKAWVGONPIVTO-KBXCAEBGSA-N 2 1 270.420 3.138 20 0 CGADMP c1ccc([C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000647874652 392820455 /nfs/dbraw/zinc/82/04/55/392820455.db2.gz JUKXDZDLLNBYKC-OXQOHEQNSA-N 2 1 292.426 3.244 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647876423 392820680 /nfs/dbraw/zinc/82/06/80/392820680.db2.gz YNUSEDSTIACKEX-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647876423 392820685 /nfs/dbraw/zinc/82/06/85/392820685.db2.gz YNUSEDSTIACKEX-WFASDCNBSA-N 2 1 264.800 3.086 20 0 CGADMP c1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881000 392822385 /nfs/dbraw/zinc/82/23/85/392822385.db2.gz PZKWMVBTUWUGRK-NVXWUHKLSA-N 2 1 258.409 3.213 20 0 CGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882617 392825225 /nfs/dbraw/zinc/82/52/25/392825225.db2.gz GDICMODWJCZZBL-KBAYOESNSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)c1C ZINC000647889447 392826187 /nfs/dbraw/zinc/82/61/87/392826187.db2.gz RMWAHJULTONOHA-FUHWJXTLSA-N 2 1 272.436 3.440 20 0 CGADMP Fc1cccc([C@@H]2CC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000647890185 392828741 /nfs/dbraw/zinc/82/87/41/392828741.db2.gz YLPQLFWPYVZGGP-KRWDZBQOSA-N 2 1 276.399 3.352 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903564 392829202 /nfs/dbraw/zinc/82/92/02/392829202.db2.gz MCMOWXRXHXSLCQ-OLZOCXBDSA-N 2 1 278.362 3.183 20 0 CGADMP Fc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000519829010 392895368 /nfs/dbraw/zinc/89/53/68/392895368.db2.gz PIXYGHJCZNYJHL-UHFFFAOYSA-N 2 1 296.389 3.030 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000381515939 392909161 /nfs/dbraw/zinc/90/91/61/392909161.db2.gz AHOXNGRIRAXLDL-YOMWJBBGSA-N 2 1 276.468 3.275 20 0 CGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000647967708 392849877 /nfs/dbraw/zinc/84/98/77/392849877.db2.gz WTQFINAJXYWUND-SJORKVTESA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000647967708 392849886 /nfs/dbraw/zinc/84/98/86/392849886.db2.gz WTQFINAJXYWUND-SJORKVTESA-N 2 1 292.467 3.065 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000647992263 392860382 /nfs/dbraw/zinc/86/03/82/392860382.db2.gz YHMOCOFMCQMWPJ-NHYWBVRUSA-N 2 1 268.351 3.005 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1SC ZINC000194848586 392941673 /nfs/dbraw/zinc/94/16/73/392941673.db2.gz HEBNYFPIMLRXSV-AWEZNQCLSA-N 2 1 296.480 3.027 20 0 CGADMP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000459754158 392953415 /nfs/dbraw/zinc/95/34/15/392953415.db2.gz MDOSYVLHUZWSEA-CVEARBPZSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000340445243 392974020 /nfs/dbraw/zinc/97/40/20/392974020.db2.gz QFQPSCXFCFNDOS-NRSFXHEJSA-N 2 1 272.436 3.253 20 0 CGADMP COCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402327 393086614 /nfs/dbraw/zinc/08/66/14/393086614.db2.gz NDTIQGMJQXZLLA-XHSDSOJGSA-N 2 1 282.472 3.044 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415002469 393087872 /nfs/dbraw/zinc/08/78/72/393087872.db2.gz NLMIVNSVSTXBSS-HOTGVXAUSA-N 2 1 296.405 3.232 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000346524496 393089650 /nfs/dbraw/zinc/08/96/50/393089650.db2.gz GHNVIENTBPQOQJ-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(COc2ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc2)cc1 ZINC000415009613 393093388 /nfs/dbraw/zinc/09/33/88/393093388.db2.gz FZVIKRHJSPOWQZ-HOTGVXAUSA-N 2 1 298.430 3.399 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415017646 393098653 /nfs/dbraw/zinc/09/86/53/393098653.db2.gz QISREIXJMUEUND-KGLIPLIRSA-N 2 1 284.403 3.188 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)CC[NH2+]1 ZINC000414708368 393051799 /nfs/dbraw/zinc/05/17/99/393051799.db2.gz NSZUBWSADXGODJ-JHJVBQTASA-N 2 1 294.389 3.272 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](F)(c3ccccc3F)C2)CC[NH2+]1 ZINC000414768393 393054886 /nfs/dbraw/zinc/05/48/86/393054886.db2.gz UYSWIXODGVYJKI-CKEIUWERSA-N 2 1 294.389 3.084 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414954033 393062492 /nfs/dbraw/zinc/06/24/92/393062492.db2.gz MLGWJCYRSLJYOC-RANZSIQMSA-N 2 1 272.436 3.128 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648586512 393114471 /nfs/dbraw/zinc/11/44/71/393114471.db2.gz WYLKJFAVJQCDJQ-UHFFFAOYSA-N 2 1 295.814 3.255 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648586512 393114477 /nfs/dbraw/zinc/11/44/77/393114477.db2.gz WYLKJFAVJQCDJQ-UHFFFAOYSA-N 2 1 295.814 3.255 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000415053475 393115324 /nfs/dbraw/zinc/11/53/24/393115324.db2.gz JZOJVLPKBKEURP-KRWDZBQOSA-N 2 1 283.419 3.212 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415056975 393117360 /nfs/dbraw/zinc/11/73/60/393117360.db2.gz STSQAQRXUUYWME-NEWSRXKRSA-N 2 1 286.463 3.329 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1coc2ccccc12)C1CCCC1 ZINC000415064268 393123450 /nfs/dbraw/zinc/12/34/50/393123450.db2.gz KLSKOTPKODXDCD-OAHLLOKOSA-N 2 1 258.365 3.040 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415065484 393124341 /nfs/dbraw/zinc/12/43/41/393124341.db2.gz MWQNILGTZSWMHM-CJNGLKHVSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415068961 393126351 /nfs/dbraw/zinc/12/63/51/393126351.db2.gz RWYPLXKUDZUQHW-SUMWQHHRSA-N 2 1 278.415 3.254 20 0 CGADMP CC(C)([NH3+])C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000415081266 393133717 /nfs/dbraw/zinc/13/37/17/393133717.db2.gz KFFZNUFGVLFEJN-UHFFFAOYSA-N 2 1 284.403 3.059 20 0 CGADMP Fc1ccccc1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415081872 393134771 /nfs/dbraw/zinc/13/47/71/393134771.db2.gz CNGATTXTPYCQGP-HKUYNNGSSA-N 2 1 298.405 3.451 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000468358748 393137523 /nfs/dbraw/zinc/13/75/23/393137523.db2.gz VPPRTISTRACTJJ-WCVJEAGWSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000415084999 393138113 /nfs/dbraw/zinc/13/81/13/393138113.db2.gz POJPWQCRLVBYEG-CYBMUJFWSA-N 2 1 284.350 3.081 20 0 CGADMP CC(C)c1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000261749097 393142310 /nfs/dbraw/zinc/14/23/10/393142310.db2.gz LRGWWTFTRYIFII-UHFFFAOYSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000415094172 393143153 /nfs/dbraw/zinc/14/31/53/393143153.db2.gz WYEAOLZKANPASO-YJBOKZPZSA-N 2 1 280.415 3.159 20 0 CGADMP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000262012378 393143351 /nfs/dbraw/zinc/14/33/51/393143351.db2.gz MJUSDEUJWHTQKC-WMZOPIPTSA-N 2 1 287.451 3.171 20 0 CGADMP CCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000262012373 393143695 /nfs/dbraw/zinc/14/36/95/393143695.db2.gz MJUSDEUJWHTQKC-FUHWJXTLSA-N 2 1 287.451 3.171 20 0 CGADMP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000415129144 393154233 /nfs/dbraw/zinc/15/42/33/393154233.db2.gz YWEFAWYKQKCGTC-LJQANCHMSA-N 2 1 298.405 3.451 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000469849811 393221489 /nfs/dbraw/zinc/22/14/89/393221489.db2.gz CCROANZPMBDGOP-HOCLYGCPSA-N 2 1 288.435 3.177 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC(C)(C)c3ccccc3)C2)C1 ZINC000646243124 393245926 /nfs/dbraw/zinc/24/59/26/393245926.db2.gz AICMTJFCOAPOMC-IBGZPJMESA-N 2 1 286.463 3.382 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC(C)(C)c3ccccc3)C2)C1 ZINC000646243124 393245927 /nfs/dbraw/zinc/24/59/27/393245927.db2.gz AICMTJFCOAPOMC-IBGZPJMESA-N 2 1 286.463 3.382 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cscc3Cl)C2)C1 ZINC000646243468 393246986 /nfs/dbraw/zinc/24/69/86/393246986.db2.gz WYOGUPVPIKVBFB-CQSZACIVSA-N 2 1 284.856 3.319 20 0 CGADMP CC(C)C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccs1 ZINC000471781222 393303986 /nfs/dbraw/zinc/30/39/86/393303986.db2.gz PFTYWLPGTPNCHX-AWEZNQCLSA-N 2 1 277.437 3.401 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000355215384 393262293 /nfs/dbraw/zinc/26/22/93/393262293.db2.gz CMOSIRFOGVVQDX-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000355215384 393262298 /nfs/dbraw/zinc/26/22/98/393262298.db2.gz CMOSIRFOGVVQDX-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000355215384 393262303 /nfs/dbraw/zinc/26/23/03/393262303.db2.gz CMOSIRFOGVVQDX-QZTJIDSGSA-N 2 1 272.436 3.220 20 0 CGADMP c1ccc2oc([C@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411582 393415118 /nfs/dbraw/zinc/41/51/18/393415118.db2.gz IVVHZELUJOABBZ-CABCVRRESA-N 2 1 299.418 3.007 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420298104 393453601 /nfs/dbraw/zinc/45/36/01/393453601.db2.gz GSLHKKKCZIKGDK-ZWKOTPCHSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427118510 393454236 /nfs/dbraw/zinc/45/42/36/393454236.db2.gz YEAAZLVSIYOCKD-ROUUACIJSA-N 2 1 272.436 3.036 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420300698 393455874 /nfs/dbraw/zinc/45/58/74/393455874.db2.gz KJEYFKXWSXIRTD-SJLPKXTDSA-N 2 1 292.442 3.324 20 0 CGADMP CC[N@@H+](Cc1ccccc1SC)[C@H]1CCC[NH2+]CC1 ZINC000420304606 393457347 /nfs/dbraw/zinc/45/73/47/393457347.db2.gz FDMBKDCUNXNCDF-HNNXBMFYSA-N 2 1 278.465 3.373 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1C ZINC000420309410 393458987 /nfs/dbraw/zinc/45/89/87/393458987.db2.gz TVRAPWCXXLVWOJ-FUHWJXTLSA-N 2 1 272.436 3.440 20 0 CGADMP CC[C@H]1CCCCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420307598 393459047 /nfs/dbraw/zinc/45/90/47/393459047.db2.gz RMZDFDISBOVCRD-IRXDYDNUSA-N 2 1 290.451 3.392 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1C ZINC000420310848 393459650 /nfs/dbraw/zinc/45/96/50/393459650.db2.gz VGOZJHCKPYYDAJ-INIZCTEOSA-N 2 1 290.451 3.134 20 0 CGADMP CC[C@]1(C)CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311836 393461105 /nfs/dbraw/zinc/46/11/05/393461105.db2.gz WDFXWJDZPGVJDK-SJLPKXTDSA-N 2 1 290.451 3.250 20 0 CGADMP COc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420316620 393462799 /nfs/dbraw/zinc/46/27/99/393462799.db2.gz MTPNJJYDJGBCRG-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000488301537 393483051 /nfs/dbraw/zinc/48/30/51/393483051.db2.gz QRQUBEPDDAFXAR-YESZJQIVSA-N 2 1 264.457 3.086 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000420327374 393468315 /nfs/dbraw/zinc/46/83/15/393468315.db2.gz YOICQZMNPFNVON-SFHVURJKSA-N 2 1 298.430 3.178 20 0 CGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1Cl ZINC000420324965 393468842 /nfs/dbraw/zinc/46/88/42/393468842.db2.gz VUFQDCZXWSFHTN-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCc1cccc2ccccc21 ZINC000420356157 393471990 /nfs/dbraw/zinc/47/19/90/393471990.db2.gz QPEIKLHPXVGMAT-KSSFIOAISA-N 2 1 268.404 3.194 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCc1cccc2ccccc21 ZINC000420356157 393471997 /nfs/dbraw/zinc/47/19/97/393471997.db2.gz QPEIKLHPXVGMAT-KSSFIOAISA-N 2 1 268.404 3.194 20 0 CGADMP c1ccc2cc(CC[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420353573 393472030 /nfs/dbraw/zinc/47/20/30/393472030.db2.gz BDLPJGFUEHHWNK-HXUWFJFHSA-N 2 1 294.442 3.458 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429536148 393475790 /nfs/dbraw/zinc/47/57/90/393475790.db2.gz DZXLLDKGCSWYJQ-WMZOPIPTSA-N 2 1 274.452 3.424 20 0 CGADMP CSc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000356296035 393412003 /nfs/dbraw/zinc/41/20/03/393412003.db2.gz IAUJUEHAGJUMMM-TZMCWYRMSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000356296035 393412009 /nfs/dbraw/zinc/41/20/09/393412009.db2.gz IAUJUEHAGJUMMM-TZMCWYRMSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000356296035 393412015 /nfs/dbraw/zinc/41/20/15/393412015.db2.gz IAUJUEHAGJUMMM-TZMCWYRMSA-N 2 1 296.505 3.386 20 0 CGADMP CSc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000356296035 393412018 /nfs/dbraw/zinc/41/20/18/393412018.db2.gz IAUJUEHAGJUMMM-TZMCWYRMSA-N 2 1 296.505 3.386 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000430226779 393543229 /nfs/dbraw/zinc/54/32/29/393543229.db2.gz PPJMVLXCXRWKIO-BEFAXECRSA-N 2 1 286.463 3.480 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000430226779 393543231 /nfs/dbraw/zinc/54/32/31/393543231.db2.gz PPJMVLXCXRWKIO-BEFAXECRSA-N 2 1 286.463 3.480 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCCC3)CC[NH+]1C ZINC000430226779 393543234 /nfs/dbraw/zinc/54/32/34/393543234.db2.gz PPJMVLXCXRWKIO-BEFAXECRSA-N 2 1 286.463 3.480 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCCC3)CC[NH+]1C ZINC000430226779 393543237 /nfs/dbraw/zinc/54/32/37/393543237.db2.gz PPJMVLXCXRWKIO-BEFAXECRSA-N 2 1 286.463 3.480 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000488416056 393504797 /nfs/dbraw/zinc/50/47/97/393504797.db2.gz ULWUHHZGYPZJGT-PBHICJAKSA-N 2 1 260.425 3.272 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC000488468462 393524449 /nfs/dbraw/zinc/52/44/49/393524449.db2.gz RWXIDFWTZNPJRS-PMPSAXMXSA-N 2 1 284.513 3.227 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000430127218 393526880 /nfs/dbraw/zinc/52/68/80/393526880.db2.gz OVLOUQLIRTYYSN-OALUTQOASA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430127218 393526883 /nfs/dbraw/zinc/52/68/83/393526883.db2.gz OVLOUQLIRTYYSN-OALUTQOASA-N 2 1 286.463 3.454 20 0 CGADMP CC(C)[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430127218 393526886 /nfs/dbraw/zinc/52/68/86/393526886.db2.gz OVLOUQLIRTYYSN-OALUTQOASA-N 2 1 286.463 3.454 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000623656819 542780611 /nfs/dbraw/zinc/78/06/11/542780611.db2.gz CMXUFYHIFNQEGY-INIZCTEOSA-N 2 1 290.451 3.215 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC23CCC3)([NH+](C)C)C1 ZINC000337404885 296494058 /nfs/dbraw/zinc/49/40/58/296494058.db2.gz RPZAIBPPEHAYGW-VYDXJSESSA-N 2 1 264.457 3.419 20 0 CGADMP CCc1cccc(Cl)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857801 542821387 /nfs/dbraw/zinc/82/13/87/542821387.db2.gz JMMJJUGOFKPMMQ-ZDUSSCGKSA-N 2 1 266.816 3.134 20 0 CGADMP CCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000432367289 393605706 /nfs/dbraw/zinc/60/57/06/393605706.db2.gz JXGRHLNZDMGZMQ-KLAILNCOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC1CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000432367289 393605710 /nfs/dbraw/zinc/60/57/10/393605710.db2.gz JXGRHLNZDMGZMQ-KLAILNCOSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[C@@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414309 393610959 /nfs/dbraw/zinc/61/09/59/393610959.db2.gz KORDFYKYGWUWOL-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[C@@H](CC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414309 393610961 /nfs/dbraw/zinc/61/09/61/393610961.db2.gz KORDFYKYGWUWOL-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000432422831 393612989 /nfs/dbraw/zinc/61/29/89/393612989.db2.gz VINURSRERQSZSH-YHNBSYBMSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCCC[C@@H]1C)c1c[nH+]ccc1N ZINC000422730213 393640780 /nfs/dbraw/zinc/64/07/80/393640780.db2.gz LTUUKNHGNDMDBP-MELADBBJSA-N 2 1 261.413 3.361 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423289970 393658772 /nfs/dbraw/zinc/65/87/72/393658772.db2.gz YUGFBPFIVMHZRE-CYBMUJFWSA-N 2 1 297.240 3.153 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000423298244 393660477 /nfs/dbraw/zinc/66/04/77/393660477.db2.gz NUECEJSEHXYYAC-MSOLQXFVSA-N 2 1 274.452 3.423 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423358566 393664395 /nfs/dbraw/zinc/66/43/95/393664395.db2.gz BSTPMHFWTFKAEU-GXFFZTMASA-N 2 1 274.330 3.339 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2sccc21)C1CCCC1 ZINC000423508678 393671067 /nfs/dbraw/zinc/67/10/67/393671067.db2.gz IZQXHQGCTJSPGU-UONOGXRCSA-N 2 1 264.438 3.233 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CC(C)(C)C ZINC000443204842 393748801 /nfs/dbraw/zinc/74/88/01/393748801.db2.gz QVNDSXCJNZYOJZ-RBSFLKMASA-N 2 1 254.462 3.379 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C1CC(C)(C)C1)C1CCCCC1 ZINC000433155315 393691383 /nfs/dbraw/zinc/69/13/83/393691383.db2.gz DIHIYOHVECDXCM-OAHLLOKOSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+]C1CC(C)(C)C1)C1CCCCC1 ZINC000433155314 393692190 /nfs/dbraw/zinc/69/21/90/393692190.db2.gz DIHIYOHVECDXCM-HNNXBMFYSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000361222521 393705040 /nfs/dbraw/zinc/70/50/40/393705040.db2.gz ZIMFPMXBAOSTLL-JKSUJKDBSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1ccc2[nH+]ccc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2c1 ZINC000443511669 393760382 /nfs/dbraw/zinc/76/03/82/393760382.db2.gz QSXCYOJNAQNARF-KBPBESRZSA-N 2 1 269.392 3.072 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000494898258 393777208 /nfs/dbraw/zinc/77/72/08/393777208.db2.gz PXOMVQGVTTZKGK-VKJFTORMSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000494898258 393777209 /nfs/dbraw/zinc/77/72/09/393777209.db2.gz PXOMVQGVTTZKGK-VKJFTORMSA-N 2 1 272.436 3.069 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000443962683 393778439 /nfs/dbraw/zinc/77/84/39/393778439.db2.gz JKCHIVYFLVGYSJ-HNNXBMFYSA-N 2 1 280.843 3.470 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC2CCOCC2)[C@H](C)C1 ZINC000499547211 393800696 /nfs/dbraw/zinc/80/06/96/393800696.db2.gz HQUHNMQATZOZPL-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC2CCOCC2)[C@H](C)C1 ZINC000499547211 393800700 /nfs/dbraw/zinc/80/07/00/393800700.db2.gz HQUHNMQATZOZPL-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSC2CCCCC2)CC[N@@H+]1C ZINC000500092704 393816674 /nfs/dbraw/zinc/81/66/74/393816674.db2.gz PVHICFPFJNVZCH-GJZGRUSLSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCSC2CCCCC2)CC[N@H+]1C ZINC000500092704 393816677 /nfs/dbraw/zinc/81/66/77/393816677.db2.gz PVHICFPFJNVZCH-GJZGRUSLSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCSC2CCCCC2)CC[NH+]1C ZINC000500092704 393816681 /nfs/dbraw/zinc/81/66/81/393816681.db2.gz PVHICFPFJNVZCH-GJZGRUSLSA-N 2 1 284.513 3.467 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCSC2CCCCC2)CC[NH+]1C ZINC000500092704 393816687 /nfs/dbraw/zinc/81/66/87/393816687.db2.gz PVHICFPFJNVZCH-GJZGRUSLSA-N 2 1 284.513 3.467 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CCCc2occc21)C[NH+]1CCCC1 ZINC000447591128 393865809 /nfs/dbraw/zinc/86/58/09/393865809.db2.gz BVSKJZVBYOFJLJ-OAHLLOKOSA-N 2 1 276.424 3.369 20 0 CGADMP C[C@H](CCc1ccsc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560090 393903611 /nfs/dbraw/zinc/90/36/11/393903611.db2.gz FXTWJDQLLZZXCW-OHRKKDJYSA-N 2 1 278.465 3.284 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccncn2)c1 ZINC000453100636 394170443 /nfs/dbraw/zinc/17/04/43/394170443.db2.gz ZXTYMLSZFAKQCQ-HNNXBMFYSA-N 2 1 298.434 3.168 20 0 CGADMP CCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)c(C)c1 ZINC000667494306 542877243 /nfs/dbraw/zinc/87/72/43/542877243.db2.gz VIRZWUGIIMFBAR-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c(C)c1 ZINC000667494306 542877246 /nfs/dbraw/zinc/87/72/46/542877246.db2.gz VIRZWUGIIMFBAR-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C)C1CC1 ZINC000453389465 394227946 /nfs/dbraw/zinc/22/79/46/394227946.db2.gz CMOHBQJSIFMRJH-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453395336 394230834 /nfs/dbraw/zinc/23/08/34/394230834.db2.gz HTWAVCABKKLNMV-MAUKXSAKSA-N 2 1 290.451 3.227 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1F ZINC000453416233 394240334 /nfs/dbraw/zinc/24/03/34/394240334.db2.gz ISRFDHGUPDLVSM-ZDUSSCGKSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000453451696 394246801 /nfs/dbraw/zinc/24/68/01/394246801.db2.gz RQNAYYKPNCGFGZ-XUWVNRHRSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@@H+](CCCC[NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000453597100 394253614 /nfs/dbraw/zinc/25/36/14/394253614.db2.gz MZVHOSKFMFPDGR-PLNGDYQASA-N 2 1 276.399 3.303 20 0 CGADMP CC(C)C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667621752 542899855 /nfs/dbraw/zinc/89/98/55/542899855.db2.gz UMIZKBCEPLXCNR-HNNXBMFYSA-N 2 1 284.407 3.135 20 0 CGADMP CC(C)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667621752 542899857 /nfs/dbraw/zinc/89/98/57/542899857.db2.gz UMIZKBCEPLXCNR-HNNXBMFYSA-N 2 1 284.407 3.135 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681638 542915573 /nfs/dbraw/zinc/91/55/73/542915573.db2.gz NHWHJOLOFHAIOZ-HNNXBMFYSA-N 2 1 285.435 3.250 20 0 CGADMP CC(C)(C)[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667972165 542951608 /nfs/dbraw/zinc/95/16/08/542951608.db2.gz HSGIHBGXFYTZFT-AWEZNQCLSA-N 2 1 284.407 3.135 20 0 CGADMP CC(C)(C)[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667972165 542951610 /nfs/dbraw/zinc/95/16/10/542951610.db2.gz HSGIHBGXFYTZFT-AWEZNQCLSA-N 2 1 284.407 3.135 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)[nH]c2c1 ZINC000668063693 542964693 /nfs/dbraw/zinc/96/46/93/542964693.db2.gz SGUQKPDZTCJTQP-KRWDZBQOSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)[nH]c2c1 ZINC000668063693 542964694 /nfs/dbraw/zinc/96/46/94/542964694.db2.gz SGUQKPDZTCJTQP-KRWDZBQOSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@H]3CCN(C)C[C@@H]3C)cc21 ZINC000668172958 542980637 /nfs/dbraw/zinc/98/06/37/542980637.db2.gz XYXMSKOTAFLIFO-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(CN(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc21 ZINC000668172958 542980639 /nfs/dbraw/zinc/98/06/39/542980639.db2.gz XYXMSKOTAFLIFO-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(CN(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc21 ZINC000668172958 542980640 /nfs/dbraw/zinc/98/06/40/542980640.db2.gz XYXMSKOTAFLIFO-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc21 ZINC000668172958 542980641 /nfs/dbraw/zinc/98/06/41/542980641.db2.gz XYXMSKOTAFLIFO-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc21 ZINC000668172958 542980642 /nfs/dbraw/zinc/98/06/42/542980642.db2.gz XYXMSKOTAFLIFO-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)cc21 ZINC000668172958 542980643 /nfs/dbraw/zinc/98/06/43/542980643.db2.gz XYXMSKOTAFLIFO-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)cc21 ZINC000668172958 542980644 /nfs/dbraw/zinc/98/06/44/542980644.db2.gz XYXMSKOTAFLIFO-KSSFIOAISA-N 2 1 285.435 3.248 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000550890015 289089120 /nfs/dbraw/zinc/08/91/20/289089120.db2.gz CCVLKSYWBVXJHF-CVEARBPZSA-N 2 1 250.430 3.339 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000550890015 289089124 /nfs/dbraw/zinc/08/91/24/289089124.db2.gz CCVLKSYWBVXJHF-CVEARBPZSA-N 2 1 250.430 3.339 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265134 543148340 /nfs/dbraw/zinc/14/83/40/543148340.db2.gz QYQOKALLJXKYHY-HUUCEWRRSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265134 543148342 /nfs/dbraw/zinc/14/83/42/543148342.db2.gz QYQOKALLJXKYHY-HUUCEWRRSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265134 543148345 /nfs/dbraw/zinc/14/83/45/543148345.db2.gz QYQOKALLJXKYHY-HUUCEWRRSA-N 2 1 254.462 3.332 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)[C@@H]2CCC[C@H]21 ZINC000671753568 543185803 /nfs/dbraw/zinc/18/58/03/543185803.db2.gz XQDQFSYZZMHIIO-NXOAAHMSSA-N 2 1 294.483 3.044 20 0 CGADMP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916191 397609980 /nfs/dbraw/zinc/60/99/80/397609980.db2.gz LQUFJMNVVKQTOY-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916191 397609981 /nfs/dbraw/zinc/60/99/81/397609981.db2.gz LQUFJMNVVKQTOY-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)CCn1ccnc1 ZINC000649819762 397728402 /nfs/dbraw/zinc/72/84/02/397728402.db2.gz DQFHZASXBVEVBO-UHFFFAOYSA-N 2 1 283.375 3.378 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CCC2 ZINC000352580246 397685712 /nfs/dbraw/zinc/68/57/12/397685712.db2.gz JYNQIIKUJIKFHL-BMGDILEWSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CCC2 ZINC000352580246 397685714 /nfs/dbraw/zinc/68/57/14/397685714.db2.gz JYNQIIKUJIKFHL-BMGDILEWSA-N 2 1 272.436 3.302 20 0 CGADMP CC(C)C[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000396908497 397697605 /nfs/dbraw/zinc/69/76/05/397697605.db2.gz HKAHTCWVRXUNNT-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1ccccc1C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000650715030 397900015 /nfs/dbraw/zinc/90/00/15/397900015.db2.gz MAQRULJHHNRXCE-DOTOQJQBSA-N 2 1 290.426 3.222 20 0 CGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754509 397909482 /nfs/dbraw/zinc/90/94/82/397909482.db2.gz KRHVIQYUIZIYQQ-GFCCVEGCSA-N 2 1 287.382 3.093 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC2CCC2)[C@@H](C)C1 ZINC000675885308 543370077 /nfs/dbraw/zinc/37/00/77/543370077.db2.gz PKKSGNSNLBOVRV-JZXOWHBKSA-N 2 1 296.499 3.292 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC000675883480 543370149 /nfs/dbraw/zinc/37/01/49/543370149.db2.gz CGMCIGHVUVXMJE-ZACQAIPSSA-N 2 1 298.515 3.395 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677240415 543441575 /nfs/dbraw/zinc/44/15/75/543441575.db2.gz HQLSGMHRVLPHNK-ROUUACIJSA-N 2 1 272.436 3.062 20 0 CGADMP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@H]1C ZINC000677153798 543437675 /nfs/dbraw/zinc/43/76/75/543437675.db2.gz VWEBSZYKZKTDHH-CYBMUJFWSA-N 2 1 287.382 3.213 20 0 CGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H]3C)CCCC2)CC1 ZINC000350093573 292169960 /nfs/dbraw/zinc/16/99/60/292169960.db2.gz GAGPDESQAQJCBA-WBVHZDCISA-N 2 1 294.483 3.188 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000677818719 543468266 /nfs/dbraw/zinc/46/82/66/543468266.db2.gz GYYHLWZRXKEFRI-UHFFFAOYSA-N 2 1 287.382 3.390 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1C ZINC000678270558 543506837 /nfs/dbraw/zinc/50/68/37/543506837.db2.gz QIQBOMGKTJSWDM-HOTGVXAUSA-N 2 1 290.451 3.105 20 0 CGADMP Clc1cccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678581114 543537237 /nfs/dbraw/zinc/53/72/37/543537237.db2.gz RWHMBTWVIYASFK-IRXDYDNUSA-N 2 1 292.854 3.489 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000678895087 543569515 /nfs/dbraw/zinc/56/95/15/543569515.db2.gz LMUXVHFXFGUQSK-JKSUJKDBSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000678895085 543569703 /nfs/dbraw/zinc/56/97/03/543569703.db2.gz LMUXVHFXFGUQSK-HOTGVXAUSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C(C(C)C)C(C)C ZINC000678900482 543570206 /nfs/dbraw/zinc/57/02/06/543570206.db2.gz PBVASXWUXCVQLG-UHFFFAOYSA-N 2 1 251.418 3.242 20 0 CGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H](C)C[NH+]3CCCCCC3)C[C@H]2C1 ZINC000424286408 286115620 /nfs/dbraw/zinc/11/56/20/286115620.db2.gz VUBJVEFYSSCJTL-ZBRFXRBCSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)cc1 ZINC000271839481 292259143 /nfs/dbraw/zinc/25/91/43/292259143.db2.gz GPXRSUGQKIKLKP-SFHVURJKSA-N 2 1 270.420 3.298 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415062703 286813960 /nfs/dbraw/zinc/81/39/60/286813960.db2.gz FUIPGHREUXPPHM-GUYCJALGSA-N 2 1 278.415 3.254 20 0 CGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)c1ccccc1 ZINC000271855852 287020105 /nfs/dbraw/zinc/02/01/05/287020105.db2.gz JJNQHTFRYYWMRB-OAHLLOKOSA-N 2 1 272.436 3.204 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248394285 287046649 /nfs/dbraw/zinc/04/66/49/287046649.db2.gz FNSYEBUIJBWHRT-GUTXKFCHSA-N 2 1 250.430 3.028 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000066152362 165033263 /nfs/dbraw/zinc/03/32/63/165033263.db2.gz BBVJZKPKWSTZBS-QGZVFWFLSA-N 2 1 290.451 3.153 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000066152362 165033265 /nfs/dbraw/zinc/03/32/65/165033265.db2.gz BBVJZKPKWSTZBS-QGZVFWFLSA-N 2 1 290.451 3.153 20 0 CGADMP CC(C)CC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594718 287091887 /nfs/dbraw/zinc/09/18/87/287091887.db2.gz OYTMSGJJODDPPB-QGZVFWFLSA-N 2 1 296.499 3.436 20 0 CGADMP COc1c(C)cnc(CN(C)c2cc[nH+]cc2Cl)c1C ZINC000080983331 165160511 /nfs/dbraw/zinc/16/05/11/165160511.db2.gz RKHNXZPWALNKQW-UHFFFAOYSA-N 2 1 291.782 3.392 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C12CCC2 ZINC000087709223 165190796 /nfs/dbraw/zinc/19/07/96/165190796.db2.gz GBRDHHJHVDAECX-YESZJQIVSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccn(C)c2)C1 ZINC000092587948 165302764 /nfs/dbraw/zinc/30/27/64/165302764.db2.gz FLKDCOKSIFKATJ-DLBZAZTESA-N 2 1 289.467 3.112 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccn(C)c2)C1 ZINC000092587948 165302766 /nfs/dbraw/zinc/30/27/66/165302766.db2.gz FLKDCOKSIFKATJ-DLBZAZTESA-N 2 1 289.467 3.112 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000092587948 165302769 /nfs/dbraw/zinc/30/27/69/165302769.db2.gz FLKDCOKSIFKATJ-DLBZAZTESA-N 2 1 289.467 3.112 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000092587948 165302770 /nfs/dbraw/zinc/30/27/70/165302770.db2.gz FLKDCOKSIFKATJ-DLBZAZTESA-N 2 1 289.467 3.112 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@H](C)C1 ZINC000090972598 287105882 /nfs/dbraw/zinc/10/58/82/287105882.db2.gz WSEQUBMJCFNSPC-CRAIPNDOSA-N 2 1 286.463 3.111 20 0 CGADMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC(C)(C)C[NH3+] ZINC000093873186 165339316 /nfs/dbraw/zinc/33/93/16/165339316.db2.gz TWBTVVPFGIBASK-UHFFFAOYSA-N 2 1 290.329 3.002 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522094 165352395 /nfs/dbraw/zinc/35/23/95/165352395.db2.gz OWUUQOGHPLSPLT-DYVFJYSZSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522094 165352398 /nfs/dbraw/zinc/35/23/98/165352398.db2.gz OWUUQOGHPLSPLT-DYVFJYSZSA-N 2 1 258.409 3.266 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000094519072 165353226 /nfs/dbraw/zinc/35/32/26/165353226.db2.gz UIHGNDSTMUXBET-HNNXBMFYSA-N 2 1 270.420 3.138 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066978 287110578 /nfs/dbraw/zinc/11/05/78/287110578.db2.gz RJJPMMLKEPSRDP-WBVHZDCISA-N 2 1 264.457 3.371 20 0 CGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066978 287110579 /nfs/dbraw/zinc/11/05/79/287110579.db2.gz RJJPMMLKEPSRDP-WBVHZDCISA-N 2 1 264.457 3.371 20 0 CGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066978 287110580 /nfs/dbraw/zinc/11/05/80/287110580.db2.gz RJJPMMLKEPSRDP-WBVHZDCISA-N 2 1 264.457 3.371 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683659 287118825 /nfs/dbraw/zinc/11/88/25/287118825.db2.gz WDIBOOYYCFXHDV-MRXNPFEDSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683659 287118829 /nfs/dbraw/zinc/11/88/29/287118829.db2.gz WDIBOOYYCFXHDV-MRXNPFEDSA-N 2 1 290.426 3.442 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261602987 287139652 /nfs/dbraw/zinc/13/96/52/287139652.db2.gz CBWMRKOOAOGUMI-BLLLJJGKSA-N 2 1 296.361 3.034 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459799281 287219517 /nfs/dbraw/zinc/21/95/17/287219517.db2.gz YRPWGQVWFPQPPH-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2C)C2CC2)C1 ZINC000284540584 196080291 /nfs/dbraw/zinc/08/02/91/196080291.db2.gz XLZCQFZUODSKFE-LPHOPBHVSA-N 2 1 286.463 3.248 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000020143300 171029031 /nfs/dbraw/zinc/02/90/31/171029031.db2.gz IDNTVBDKGCVUPC-NSHDSACASA-N 2 1 250.386 3.239 20 0 CGADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000020146229 171032768 /nfs/dbraw/zinc/03/27/68/171032768.db2.gz IQZSUZYQQWVSCD-UHFFFAOYSA-N 2 1 282.378 3.176 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c(C)o1 ZINC000020438916 171202970 /nfs/dbraw/zinc/20/29/70/171202970.db2.gz RSLIRKBPNUEPJR-CYBMUJFWSA-N 2 1 250.386 3.033 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC=C(c2ccco2)C1 ZINC000285304449 196247163 /nfs/dbraw/zinc/24/71/63/196247163.db2.gz LMAURYRJXJUHQC-INIZCTEOSA-N 2 1 274.408 3.243 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC=C(c2ccco2)C1 ZINC000285304449 196247165 /nfs/dbraw/zinc/24/71/65/196247165.db2.gz LMAURYRJXJUHQC-INIZCTEOSA-N 2 1 274.408 3.243 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285304449 196247166 /nfs/dbraw/zinc/24/71/66/196247166.db2.gz LMAURYRJXJUHQC-INIZCTEOSA-N 2 1 274.408 3.243 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC=C(c2ccco2)C1 ZINC000285304449 196247167 /nfs/dbraw/zinc/24/71/67/196247167.db2.gz LMAURYRJXJUHQC-INIZCTEOSA-N 2 1 274.408 3.243 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000036866013 172763842 /nfs/dbraw/zinc/76/38/42/172763842.db2.gz IAJNSFCJCVCRLM-OAGGEKHMSA-N 2 1 252.446 3.275 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000037248591 173061066 /nfs/dbraw/zinc/06/10/66/173061066.db2.gz IBQCDLJKOGNCFQ-UHFFFAOYSA-N 2 1 273.207 3.177 20 0 CGADMP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267087 173077014 /nfs/dbraw/zinc/07/70/14/173077014.db2.gz VBVYGEZMSSARNR-AWEZNQCLSA-N 2 1 260.425 3.384 20 0 CGADMP CSCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000285766727 196391766 /nfs/dbraw/zinc/39/17/66/196391766.db2.gz SZVKQKVSNHQITM-IRXDYDNUSA-N 2 1 290.476 3.266 20 0 CGADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746542 174391358 /nfs/dbraw/zinc/39/13/58/174391358.db2.gz VXVJJJWIMUWONO-PBWFPOADSA-N 2 1 296.361 3.003 20 0 CGADMP CC1(C)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000045117821 175311680 /nfs/dbraw/zinc/31/16/80/175311680.db2.gz RHOGRAAKMHPRIQ-KRWDZBQOSA-N 2 1 272.436 3.082 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000071142115 176039829 /nfs/dbraw/zinc/03/98/29/176039829.db2.gz OTGHYTNRRPZCDO-QGZVFWFLSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000071205472 176079605 /nfs/dbraw/zinc/07/96/05/176079605.db2.gz SZTGAGBJQIYTAX-CRAIPNDOSA-N 2 1 272.436 3.429 20 0 CGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000050952519 416478981 /nfs/dbraw/zinc/47/89/81/416478981.db2.gz LICLIOWYLMVOGN-UHFFFAOYSA-N 2 1 260.425 3.288 20 0 CGADMP CCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000314011503 416535804 /nfs/dbraw/zinc/53/58/04/416535804.db2.gz NPVOMWMNIUJKQO-WMZOPIPTSA-N 2 1 288.435 3.036 20 0 CGADMP CC[C@H]1C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)CC[C@H]1[NH3+] ZINC000317263215 416540025 /nfs/dbraw/zinc/54/00/25/416540025.db2.gz QQCXQIHNKDDHPA-WMLDXEAASA-N 2 1 299.418 3.209 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)CC[C@H]1[NH3+] ZINC000317263215 416540028 /nfs/dbraw/zinc/54/00/28/416540028.db2.gz QQCXQIHNKDDHPA-WMLDXEAASA-N 2 1 299.418 3.209 20 0 CGADMP CC[C@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000401896513 416546809 /nfs/dbraw/zinc/54/68/09/416546809.db2.gz KLFBNFMBQZUEPI-BFZKSOEOSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)[C@@H]1CC[NH3+] ZINC000404258715 416552874 /nfs/dbraw/zinc/55/28/74/416552874.db2.gz CJAQKKDCXDGYBR-NVXWUHKLSA-N 2 1 282.472 3.033 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000130026692 287343615 /nfs/dbraw/zinc/34/36/15/287343615.db2.gz QQRHGIHDKDTNNC-GDBMZVCRSA-N 2 1 260.425 3.037 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CCCCO)C1 ZINC000679340722 543622763 /nfs/dbraw/zinc/62/27/63/543622763.db2.gz PUWUXAOQUGFMNT-HZPDHXFCSA-N 2 1 284.488 3.028 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CCCCO)C1 ZINC000679340722 543622766 /nfs/dbraw/zinc/62/27/66/543622766.db2.gz PUWUXAOQUGFMNT-HZPDHXFCSA-N 2 1 284.488 3.028 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000130238847 287348485 /nfs/dbraw/zinc/34/84/85/287348485.db2.gz IBXZSJPUGSLVFJ-VYDXJSESSA-N 2 1 260.425 3.110 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071776 543821005 /nfs/dbraw/zinc/82/10/05/543821005.db2.gz IZQSCRBYZWVIGI-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071776 543821007 /nfs/dbraw/zinc/82/10/07/543821007.db2.gz IZQSCRBYZWVIGI-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071776 543821010 /nfs/dbraw/zinc/82/10/10/543821010.db2.gz IZQSCRBYZWVIGI-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071776 543821011 /nfs/dbraw/zinc/82/10/11/543821011.db2.gz IZQSCRBYZWVIGI-KSSFIOAISA-N 2 1 285.435 3.330 20 0 CGADMP c1ccc2c(c1)CC[C@H]2[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000682074601 543822825 /nfs/dbraw/zinc/82/28/25/543822825.db2.gz QELBEPRLCHVQHT-QFBILLFUSA-N 2 1 284.447 3.482 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC000130916711 287366253 /nfs/dbraw/zinc/36/62/53/287366253.db2.gz IQIIKHBFDJIGLX-ZBFHGGJFSA-N 2 1 250.430 3.197 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 ZINC000682375713 543837450 /nfs/dbraw/zinc/83/74/50/543837450.db2.gz MLADNOLBOGJIRM-TWMKSMIVSA-N 2 1 266.473 3.379 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000131396586 287378710 /nfs/dbraw/zinc/37/87/10/287378710.db2.gz WTZNYVQRKOOWRI-QGZVFWFLSA-N 2 1 277.456 3.490 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000366970164 226015789 /nfs/dbraw/zinc/01/57/89/226015789.db2.gz PUKUUNSTTNPQEE-HCXYKTFWSA-N 2 1 284.447 3.287 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H]2CCCC(C)(C)C2)CCCO1 ZINC000683344381 543909721 /nfs/dbraw/zinc/90/97/21/543909721.db2.gz SKSQUZIEURRRQH-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000366974410 226052132 /nfs/dbraw/zinc/05/21/32/226052132.db2.gz RGNKHJFSIOTSSK-QAETUUGQSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000366974410 226052138 /nfs/dbraw/zinc/05/21/38/226052138.db2.gz RGNKHJFSIOTSSK-QAETUUGQSA-N 2 1 272.436 3.313 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683110206 543894916 /nfs/dbraw/zinc/89/49/16/543894916.db2.gz NXACEYLSSLFWPS-BPQIPLTHSA-N 2 1 272.436 3.144 20 0 CGADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000683703025 543933804 /nfs/dbraw/zinc/93/38/04/543933804.db2.gz IEEWWSDDNPYCJO-ZDUSSCGKSA-N 2 1 298.833 3.486 20 0 CGADMP CC[N@H+]1CCC[C@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000683703025 543933806 /nfs/dbraw/zinc/93/38/06/543933806.db2.gz IEEWWSDDNPYCJO-ZDUSSCGKSA-N 2 1 298.833 3.486 20 0 CGADMP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000683783113 543941842 /nfs/dbraw/zinc/94/18/42/543941842.db2.gz DHPGORUFGJOELI-QGZVFWFLSA-N 2 1 258.409 3.136 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCc3ccccc32)CC1 ZINC000683789057 543942595 /nfs/dbraw/zinc/94/25/95/543942595.db2.gz WDNFWZLBAPMVOP-RDJZCZTQSA-N 2 1 258.409 3.090 20 0 CGADMP CCCC[N@@H+](C)CCNc1cc[nH+]c2c(O)cccc12 ZINC000684573234 544014570 /nfs/dbraw/zinc/01/45/70/544014570.db2.gz GQCKKOCRJXWWLT-UHFFFAOYSA-N 2 1 273.380 3.084 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000684370587 543987107 /nfs/dbraw/zinc/98/71/07/543987107.db2.gz ZCGOFYFSJSNPCU-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@H+](C/C=C\c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443837 544070631 /nfs/dbraw/zinc/07/06/31/544070631.db2.gz ZHROOSAYSOFNTD-HODHHHKJSA-N 2 1 288.410 3.396 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443837 544070634 /nfs/dbraw/zinc/07/06/34/544070634.db2.gz ZHROOSAYSOFNTD-HODHHHKJSA-N 2 1 288.410 3.396 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443837 544070637 /nfs/dbraw/zinc/07/06/37/544070637.db2.gz ZHROOSAYSOFNTD-HODHHHKJSA-N 2 1 288.410 3.396 20 0 CGADMP C[NH+](C/C=C\c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443837 544070639 /nfs/dbraw/zinc/07/06/39/544070639.db2.gz ZHROOSAYSOFNTD-HODHHHKJSA-N 2 1 288.410 3.396 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000685477621 544080826 /nfs/dbraw/zinc/08/08/26/544080826.db2.gz BDFKKOMXLKBSBN-HOTGVXAUSA-N 2 1 290.451 3.263 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000685477621 544080827 /nfs/dbraw/zinc/08/08/27/544080827.db2.gz BDFKKOMXLKBSBN-HOTGVXAUSA-N 2 1 290.451 3.263 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000652217902 418936514 /nfs/dbraw/zinc/93/65/14/418936514.db2.gz NSMZOJGDVSXYND-CVEARBPZSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000652217902 418936516 /nfs/dbraw/zinc/93/65/16/418936516.db2.gz NSMZOJGDVSXYND-CVEARBPZSA-N 2 1 272.436 3.447 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCOC1(C)C)C1CCCCC1 ZINC000652237691 418939432 /nfs/dbraw/zinc/93/94/32/418939432.db2.gz AAIRUFCUUCUGSI-MRXNPFEDSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCc2ccsc2)[C@H]1CC[NH3+] ZINC000652356019 418957149 /nfs/dbraw/zinc/95/71/49/418957149.db2.gz QFXRZDSUBDVVOI-ZFWWWQNUSA-N 2 1 266.454 3.130 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000653279981 419023487 /nfs/dbraw/zinc/02/34/87/419023487.db2.gz RHRUVMUOXYTOLY-CXAGYDPISA-N 2 1 299.393 3.199 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000653279981 419023489 /nfs/dbraw/zinc/02/34/89/419023489.db2.gz RHRUVMUOXYTOLY-CXAGYDPISA-N 2 1 299.393 3.199 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCC(C)(C)C2CC2)CC[N@@H+]1C ZINC000653564873 419050123 /nfs/dbraw/zinc/05/01/23/419050123.db2.gz PUYDGBXXVFROHF-UKRRQHHQSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)CCC(C)(C)C2CC2)CC[N@H+]1C ZINC000653564873 419050126 /nfs/dbraw/zinc/05/01/26/419050126.db2.gz PUYDGBXXVFROHF-UKRRQHHQSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(C)(C)C2CC2)CC[NH+]1C ZINC000653564873 419050131 /nfs/dbraw/zinc/05/01/31/419050131.db2.gz PUYDGBXXVFROHF-UKRRQHHQSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(C)(C)C2CC2)CC[NH+]1C ZINC000653564873 419050134 /nfs/dbraw/zinc/05/01/34/419050134.db2.gz PUYDGBXXVFROHF-UKRRQHHQSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659976674 419050233 /nfs/dbraw/zinc/05/02/33/419050233.db2.gz UMNXWMSFQZKKCI-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000659929121 419035767 /nfs/dbraw/zinc/03/57/67/419035767.db2.gz XAOPOIFSDSHJEY-ZHALLVOQSA-N 2 1 286.463 3.454 20 0 CGADMP Cn1cncc1CCC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000653556284 419046049 /nfs/dbraw/zinc/04/60/49/419046049.db2.gz YMKPVQLINGCUDG-UHFFFAOYSA-N 2 1 291.826 3.181 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000653556284 419046052 /nfs/dbraw/zinc/04/60/52/419046052.db2.gz YMKPVQLINGCUDG-UHFFFAOYSA-N 2 1 291.826 3.181 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000653556284 419046054 /nfs/dbraw/zinc/04/60/54/419046054.db2.gz YMKPVQLINGCUDG-UHFFFAOYSA-N 2 1 291.826 3.181 20 0 CGADMP COCc1csc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000665263492 419095533 /nfs/dbraw/zinc/09/55/33/419095533.db2.gz NDEPFZZOCSQRLR-HOTGVXAUSA-N 2 1 288.416 3.129 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000665274463 419098005 /nfs/dbraw/zinc/09/80/05/419098005.db2.gz QNYMTEHSGQMPDE-MWQQHZPXSA-N 2 1 258.409 3.053 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278464 419099493 /nfs/dbraw/zinc/09/94/93/419099493.db2.gz FXFCDUUZHDVEGE-BFHRDPOASA-N 2 1 270.420 3.022 20 0 CGADMP CC1(C)C[C@]1(C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000665275409 419099986 /nfs/dbraw/zinc/09/99/86/419099986.db2.gz KCOOIUYIIAJWEU-UXLLHSPISA-N 2 1 258.409 3.258 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1c[nH+]ccc1N ZINC000665301330 419112069 /nfs/dbraw/zinc/11/20/69/419112069.db2.gz VANNWGHIXFEEKH-VIFPVBQESA-N 2 1 275.318 3.123 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](CC)CC(F)F)C1 ZINC000659982731 419052239 /nfs/dbraw/zinc/05/22/39/419052239.db2.gz VQAQRMCJLVODTC-ZIAGYGMSSA-N 2 1 276.415 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](CC)CC(F)F)C1 ZINC000659982731 419052241 /nfs/dbraw/zinc/05/22/41/419052241.db2.gz VQAQRMCJLVODTC-ZIAGYGMSSA-N 2 1 276.415 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000659982731 419052245 /nfs/dbraw/zinc/05/22/45/419052245.db2.gz VQAQRMCJLVODTC-ZIAGYGMSSA-N 2 1 276.415 3.332 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659983759 419054889 /nfs/dbraw/zinc/05/48/89/419054889.db2.gz UVTXFXOAOHQXAW-OAGGEKHMSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655701960 419069653 /nfs/dbraw/zinc/06/96/53/419069653.db2.gz YCEMVZYUMPPIGZ-CRAIPNDOSA-N 2 1 294.483 3.046 20 0 CGADMP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000656212062 419152001 /nfs/dbraw/zinc/15/20/01/419152001.db2.gz YCFRNNZDHLHRLM-BJHJDKERSA-N 2 1 289.810 3.062 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCc1cccc(Cl)c1 ZINC000656472553 419175868 /nfs/dbraw/zinc/17/58/68/419175868.db2.gz ZNJJEFBLFVJRKF-ZDUSSCGKSA-N 2 1 291.826 3.313 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1ccccc1)C2 ZINC000660656835 419177323 /nfs/dbraw/zinc/17/73/23/419177323.db2.gz VDFDNVGCLAQDCB-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000660656835 419177326 /nfs/dbraw/zinc/17/73/26/419177326.db2.gz VDFDNVGCLAQDCB-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000660656835 419177329 /nfs/dbraw/zinc/17/73/29/419177329.db2.gz VDFDNVGCLAQDCB-GOSISDBHSA-N 2 1 272.436 3.037 20 0 CGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000660659811 419177738 /nfs/dbraw/zinc/17/77/38/419177738.db2.gz ROCPVQKNSPCIOJ-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000660659811 419177741 /nfs/dbraw/zinc/17/77/41/419177741.db2.gz ROCPVQKNSPCIOJ-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000660659811 419177743 /nfs/dbraw/zinc/17/77/43/419177743.db2.gz ROCPVQKNSPCIOJ-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000660659811 419177744 /nfs/dbraw/zinc/17/77/44/419177744.db2.gz ROCPVQKNSPCIOJ-MSOLQXFVSA-N 2 1 288.410 3.231 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665897 419180174 /nfs/dbraw/zinc/18/01/74/419180174.db2.gz YXEGWIOLUJLMKQ-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665897 419180177 /nfs/dbraw/zinc/18/01/77/419180177.db2.gz YXEGWIOLUJLMKQ-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665897 419180178 /nfs/dbraw/zinc/18/01/78/419180178.db2.gz YXEGWIOLUJLMKQ-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000657361275 419259349 /nfs/dbraw/zinc/25/93/49/419259349.db2.gz JZWGOXXYFUJSNL-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694965 419203890 /nfs/dbraw/zinc/20/38/90/419203890.db2.gz XVDITAAAVMATME-HZPDHXFCSA-N 2 1 298.858 3.082 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000656694965 419203892 /nfs/dbraw/zinc/20/38/92/419203892.db2.gz XVDITAAAVMATME-HZPDHXFCSA-N 2 1 298.858 3.082 20 0 CGADMP c1ccc([C@H]2CCCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000656788219 419219371 /nfs/dbraw/zinc/21/93/71/419219371.db2.gz VTZONDFOVVMCTJ-BBWFWOEESA-N 2 1 258.409 3.054 20 0 CGADMP CC[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661102893 419229039 /nfs/dbraw/zinc/22/90/39/419229039.db2.gz BSMDEDKIFMZNHM-MRXNPFEDSA-N 2 1 290.451 3.139 20 0 CGADMP CC[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661102893 419229041 /nfs/dbraw/zinc/22/90/41/419229041.db2.gz BSMDEDKIFMZNHM-MRXNPFEDSA-N 2 1 290.451 3.139 20 0 CGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccsc1)C(C)(C)C ZINC000661133993 419233822 /nfs/dbraw/zinc/23/38/22/419233822.db2.gz QECGTUAKFZNKRS-HNNXBMFYSA-N 2 1 298.496 3.050 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccsc1)C(C)(C)C ZINC000661133993 419233825 /nfs/dbraw/zinc/23/38/25/419233825.db2.gz QECGTUAKFZNKRS-HNNXBMFYSA-N 2 1 298.496 3.050 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661133993 419233827 /nfs/dbraw/zinc/23/38/27/419233827.db2.gz QECGTUAKFZNKRS-HNNXBMFYSA-N 2 1 298.496 3.050 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000661133993 419233830 /nfs/dbraw/zinc/23/38/30/419233830.db2.gz QECGTUAKFZNKRS-HNNXBMFYSA-N 2 1 298.496 3.050 20 0 CGADMP Fc1ccc(C2CC2)cc1C[NH2+]Cc1cnc2n1CCC2 ZINC000657477254 419288163 /nfs/dbraw/zinc/28/81/63/419288163.db2.gz JWEFWIDRRSIQHY-UHFFFAOYSA-N 2 1 285.366 3.136 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000661981997 419318933 /nfs/dbraw/zinc/31/89/33/419318933.db2.gz VAPPOTWMGIDHIA-OAHLLOKOSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000661981997 419318935 /nfs/dbraw/zinc/31/89/35/419318935.db2.gz VAPPOTWMGIDHIA-OAHLLOKOSA-N 2 1 291.439 3.005 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)CC[N@@H+]1Cc1ccccc1 ZINC000657654754 419319157 /nfs/dbraw/zinc/31/91/57/419319157.db2.gz ZUEYKVRBQLZVOU-VQIMIIECSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)CC[N@H+]1Cc1ccccc1 ZINC000657654754 419319160 /nfs/dbraw/zinc/31/91/60/419319160.db2.gz ZUEYKVRBQLZVOU-VQIMIIECSA-N 2 1 298.430 3.465 20 0 CGADMP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000657678320 419326626 /nfs/dbraw/zinc/32/66/26/419326626.db2.gz PJSGYTAJAVKVOA-JKSUJKDBSA-N 2 1 292.467 3.085 20 0 CGADMP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000657678320 419326629 /nfs/dbraw/zinc/32/66/29/419326629.db2.gz PJSGYTAJAVKVOA-JKSUJKDBSA-N 2 1 292.467 3.085 20 0 CGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1F ZINC000662309907 419388426 /nfs/dbraw/zinc/38/84/26/419388426.db2.gz AMYMRJLIIACXGE-UHFFFAOYSA-N 2 1 278.415 3.427 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662320789 419389330 /nfs/dbraw/zinc/38/93/30/419389330.db2.gz DREXXFGPHGMIJV-NVXWUHKLSA-N 2 1 264.457 3.278 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C(F)F)nc1 ZINC000657857725 419390794 /nfs/dbraw/zinc/39/07/94/419390794.db2.gz CGCJBFZRZCTZTQ-WDEREUQCSA-N 2 1 271.355 3.010 20 0 CGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1C ZINC000657863994 419394035 /nfs/dbraw/zinc/39/40/35/419394035.db2.gz MWYKBFDZLWAJAO-MRXNPFEDSA-N 2 1 291.826 3.456 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000657875928 419398629 /nfs/dbraw/zinc/39/86/29/419398629.db2.gz JSSMPMGGUQHAEP-NWDGAFQWSA-N 2 1 283.366 3.012 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000657875928 419398634 /nfs/dbraw/zinc/39/86/34/419398634.db2.gz JSSMPMGGUQHAEP-NWDGAFQWSA-N 2 1 283.366 3.012 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657886902 419407881 /nfs/dbraw/zinc/40/78/81/419407881.db2.gz FYDNOSAAMWTKFJ-CYBMUJFWSA-N 2 1 298.390 3.464 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662236537 419368518 /nfs/dbraw/zinc/36/85/18/419368518.db2.gz FDKJKDXHEVGDDW-NVXWUHKLSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000662243445 419369197 /nfs/dbraw/zinc/36/91/97/419369197.db2.gz BFZZCCKCNHNKLY-RHSMWYFYSA-N 2 1 260.425 3.369 20 0 CGADMP C(CC1CCC1)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662263899 419376647 /nfs/dbraw/zinc/37/66/47/419376647.db2.gz GHSCBWCSQTYECE-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CCOC1CCC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000657840052 419383282 /nfs/dbraw/zinc/38/32/82/419383282.db2.gz LHLOKYKHYAUVCR-ABHNRTSZSA-N 2 1 296.499 3.434 20 0 CGADMP FC1(F)CCCC[C@@H]1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662277520 419383294 /nfs/dbraw/zinc/38/32/94/419383294.db2.gz VOBFUMFVHAQLQM-ZNMIVQPWSA-N 2 1 286.410 3.276 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657842732 419383509 /nfs/dbraw/zinc/38/35/09/419383509.db2.gz WYDUJECBQFFJFX-STQMWFEESA-N 2 1 289.448 3.289 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cnccc2o1 ZINC000657840253 419383807 /nfs/dbraw/zinc/38/38/07/419383807.db2.gz OORGOAVQBZUXOK-AEGPPILISA-N 2 1 285.391 3.105 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2cnccc2o1 ZINC000657840253 419383808 /nfs/dbraw/zinc/38/38/08/419383808.db2.gz OORGOAVQBZUXOK-AEGPPILISA-N 2 1 285.391 3.105 20 0 CGADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662294382 419384658 /nfs/dbraw/zinc/38/46/58/419384658.db2.gz COOZGSUKINLYLX-IAGOWNOFSA-N 2 1 272.436 3.440 20 0 CGADMP c1ccc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000662284894 419385411 /nfs/dbraw/zinc/38/54/11/419385411.db2.gz QHPPBNYKSKZWNO-SJLPKXTDSA-N 2 1 272.436 3.256 20 0 CGADMP COCC[NH2+]C1CC[NH+](Cc2cccc(C(C)C)c2)CC1 ZINC000662287147 419385839 /nfs/dbraw/zinc/38/58/39/419385839.db2.gz XAXFAPQFGNTHQS-UHFFFAOYSA-N 2 1 290.451 3.010 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000662285749 419386322 /nfs/dbraw/zinc/38/63/22/419386322.db2.gz MWZQMSHEYKOJHK-YNEHKIRRSA-N 2 1 262.388 3.117 20 0 CGADMP CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000657932610 419448208 /nfs/dbraw/zinc/44/82/08/419448208.db2.gz WKLSTYSXJJTBJC-WWDZGPRUSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H]1CCCN(c2cc[nH+]c3ccsc32)[C@@H]1CC[NH3+] ZINC000663243056 419529758 /nfs/dbraw/zinc/52/97/58/419529758.db2.gz VMVUTMHUACNGCE-DGCLKSJQSA-N 2 1 275.421 3.250 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C)C1CC1 ZINC000658031909 419508584 /nfs/dbraw/zinc/50/85/84/419508584.db2.gz NNEZYIZNCMRZBE-OWCLPIDISA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345246 419569250 /nfs/dbraw/zinc/56/92/50/419569250.db2.gz HGNLBWZTNIOKQI-ZBFHGGJFSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346374 419569430 /nfs/dbraw/zinc/56/94/30/419569430.db2.gz MDEPCGFGQJKJEP-KRWDZBQOSA-N 2 1 272.436 3.207 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468523 419619311 /nfs/dbraw/zinc/61/93/11/419619311.db2.gz LRRQZJDNFNKOAK-OIISXLGYSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000663466395 419621205 /nfs/dbraw/zinc/62/12/05/419621205.db2.gz SGODTGTTWSXNDY-RDJZCZTQSA-N 2 1 264.457 3.277 20 0 CGADMP CCC[C@H](C)[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000187707198 260042715 /nfs/dbraw/zinc/04/27/15/260042715.db2.gz LGUKARKKFCHFKP-INIZCTEOSA-N 2 1 284.488 3.245 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1(C)C ZINC000085379107 260203274 /nfs/dbraw/zinc/20/32/74/260203274.db2.gz VICQQYUMOPJCEA-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044532576 270035796 /nfs/dbraw/zinc/03/57/96/270035796.db2.gz DJSRGTOUZVJHBT-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000190006154 270072618 /nfs/dbraw/zinc/07/26/18/270072618.db2.gz OFDSGVYOBOSIGN-YMPXZSTISA-N 2 1 282.472 3.069 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228819866 270087798 /nfs/dbraw/zinc/08/77/98/270087798.db2.gz MEWZSQUJFAFOOT-KTAKPFMOSA-N 2 1 278.415 3.392 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228819866 270087799 /nfs/dbraw/zinc/08/77/99/270087799.db2.gz MEWZSQUJFAFOOT-KTAKPFMOSA-N 2 1 278.415 3.392 20 0 CGADMP CC[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OC ZINC000322507490 270093516 /nfs/dbraw/zinc/09/35/16/270093516.db2.gz HWQVIDXXSHMEOU-SFHVURJKSA-N 2 1 290.451 3.056 20 0 CGADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000527537766 270129283 /nfs/dbraw/zinc/12/92/83/270129283.db2.gz GBSYSYWYTIMUDW-NVXWUHKLSA-N 2 1 287.451 3.133 20 0 CGADMP c1ccc2c(c1)CCC(C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000527733371 270133226 /nfs/dbraw/zinc/13/32/26/270133226.db2.gz GHKYEINWGXPOTP-UXHICEINSA-N 2 1 298.474 3.398 20 0 CGADMP Cc1cccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)c1 ZINC000527845808 270139363 /nfs/dbraw/zinc/13/93/63/270139363.db2.gz JPIPTIHCGUZIBD-KRWDZBQOSA-N 2 1 260.425 3.376 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527855989 270140051 /nfs/dbraw/zinc/14/00/51/270140051.db2.gz XUPPUYFBIRNHRF-NPJQDHAYSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527855989 270140052 /nfs/dbraw/zinc/14/00/52/270140052.db2.gz XUPPUYFBIRNHRF-NPJQDHAYSA-N 2 1 264.457 3.131 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529530824 270182835 /nfs/dbraw/zinc/18/28/35/270182835.db2.gz IMWQDYZNMVRXCX-RQJABVFESA-N 2 1 288.426 3.376 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529530824 270182836 /nfs/dbraw/zinc/18/28/36/270182836.db2.gz IMWQDYZNMVRXCX-RQJABVFESA-N 2 1 288.426 3.376 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[NH+]1CCCC1 ZINC000529534807 270183294 /nfs/dbraw/zinc/18/32/94/270183294.db2.gz QGDWKBGLGYMSIN-JSGCOSHPSA-N 2 1 274.399 3.130 20 0 CGADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530222049 270196468 /nfs/dbraw/zinc/19/64/68/270196468.db2.gz QBSJCSZPOWCSHW-IRXDYDNUSA-N 2 1 270.420 3.328 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216011 270195972 /nfs/dbraw/zinc/19/59/72/270195972.db2.gz LQDFSKSJTCUOFN-DYVFJYSZSA-N 2 1 284.403 3.238 20 0 CGADMP FC(F)(F)c1cccc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000530231515 270196904 /nfs/dbraw/zinc/19/69/04/270196904.db2.gz ILYNFIDDBMRJDU-GFCCVEGCSA-N 2 1 298.352 3.063 20 0 CGADMP Cc1cc(C)cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000530624117 270201143 /nfs/dbraw/zinc/20/11/43/270201143.db2.gz KOAQGGRWEUBOSF-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000530624117 270201144 /nfs/dbraw/zinc/20/11/44/270201144.db2.gz KOAQGGRWEUBOSF-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000530624117 270201145 /nfs/dbraw/zinc/20/11/45/270201145.db2.gz KOAQGGRWEUBOSF-GOSISDBHSA-N 2 1 286.463 3.467 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000530513226 270200546 /nfs/dbraw/zinc/20/05/46/270200546.db2.gz UFWVQKQZTRMOMZ-IRXDYDNUSA-N 2 1 287.382 3.028 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000531681391 270208692 /nfs/dbraw/zinc/20/86/92/270208692.db2.gz JSKGBKHJWOUEAE-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000531687417 270208709 /nfs/dbraw/zinc/20/87/09/270208709.db2.gz VAVWOMMUDPQKAG-HOTGVXAUSA-N 2 1 274.452 3.459 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000531687417 270208710 /nfs/dbraw/zinc/20/87/10/270208710.db2.gz VAVWOMMUDPQKAG-HOTGVXAUSA-N 2 1 274.452 3.459 20 0 CGADMP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000532123039 270214040 /nfs/dbraw/zinc/21/40/40/270214040.db2.gz NVXJRESKIDZGCZ-NSHDSACASA-N 2 1 277.437 3.296 20 0 CGADMP CC[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000532205405 270214201 /nfs/dbraw/zinc/21/42/01/270214201.db2.gz RYDVAUXSDAMJDA-KRWDZBQOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000532205405 270214202 /nfs/dbraw/zinc/21/42/02/270214202.db2.gz RYDVAUXSDAMJDA-KRWDZBQOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000532508784 270216470 /nfs/dbraw/zinc/21/64/70/270216470.db2.gz HTMVDENZUNUGQU-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c2ccccc2[nH+]1 ZINC000532780751 270219534 /nfs/dbraw/zinc/21/95/34/270219534.db2.gz WIEYZHDLHSJBFC-HNNXBMFYSA-N 2 1 297.446 3.361 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cs1 ZINC000449093943 533688559 /nfs/dbraw/zinc/68/85/59/533688559.db2.gz XNNGULAHGJFJCG-UHFFFAOYSA-N 2 1 264.438 3.021 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000423403281 274216876 /nfs/dbraw/zinc/21/68/76/274216876.db2.gz RYYDWSOJEXZVAY-ZANVPECISA-N 2 1 297.240 3.108 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000335037257 274257538 /nfs/dbraw/zinc/25/75/38/274257538.db2.gz BUOOOCPDOCLNGN-SJKOYZFVSA-N 2 1 267.376 3.222 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)[C@H]2CCC[NH2+]CC2)C1 ZINC000358339286 274294415 /nfs/dbraw/zinc/29/44/15/274294415.db2.gz XSNOVKVRZZZCKF-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000453253402 274340569 /nfs/dbraw/zinc/34/05/69/274340569.db2.gz POWUUMOFICUKFM-FXRXJOCMSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[C@@H]1[NH3+] ZINC000094342688 274366244 /nfs/dbraw/zinc/36/62/44/274366244.db2.gz JTYCUFYEHLRFFB-MFKMUULPSA-N 2 1 275.783 3.062 20 0 CGADMP C[C@]1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423344844 274651402 /nfs/dbraw/zinc/65/14/02/274651402.db2.gz YIPOAHLDGCUSOV-HOCLYGCPSA-N 2 1 294.439 3.342 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CCC2 ZINC000423134120 274774785 /nfs/dbraw/zinc/77/47/85/274774785.db2.gz WNNRAAVPWPFUFD-XYPHTWIQSA-N 2 1 258.409 3.103 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000127068136 274862473 /nfs/dbraw/zinc/86/24/73/274862473.db2.gz MWLCWNQPNMKCSJ-RWBZWWBESA-N 2 1 283.419 3.363 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CCC[NH2+]CC1 ZINC000035099656 275069094 /nfs/dbraw/zinc/06/90/94/275069094.db2.gz STGQZHWMQYEXBT-UHFFFAOYSA-N 2 1 264.372 3.052 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CCC[NH2+]CC1 ZINC000035099656 275069096 /nfs/dbraw/zinc/06/90/96/275069096.db2.gz STGQZHWMQYEXBT-UHFFFAOYSA-N 2 1 264.372 3.052 20 0 CGADMP CC(C)(C[NH2+][C@H]1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC000515251620 275549672 /nfs/dbraw/zinc/54/96/72/275549672.db2.gz AKELXFIIDOLQTQ-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000129757098 276152203 /nfs/dbraw/zinc/15/22/03/276152203.db2.gz MUNNAPPQOCBMCT-INIZCTEOSA-N 2 1 278.827 3.401 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000295906338 276212461 /nfs/dbraw/zinc/21/24/61/276212461.db2.gz IYGNNWSWQOEUID-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000250251044 276212790 /nfs/dbraw/zinc/21/27/90/276212790.db2.gz IODIIDLQTLMMKW-JSGCOSHPSA-N 2 1 264.438 3.057 20 0 CGADMP CCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423346018 276241863 /nfs/dbraw/zinc/24/18/63/276241863.db2.gz YGHUXOIZMRBINW-QGTPRVQTSA-N 2 1 290.451 3.309 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423375675 276270798 /nfs/dbraw/zinc/27/07/98/276270798.db2.gz DAOFBHYRHBUQBK-VXGBXAGGSA-N 2 1 288.357 3.224 20 0 CGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000355293234 276336237 /nfs/dbraw/zinc/33/62/37/276336237.db2.gz QRATYNSEFYDEQH-HNNXBMFYSA-N 2 1 282.472 3.046 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3sccc32)C1 ZINC000414192740 277073797 /nfs/dbraw/zinc/07/37/97/277073797.db2.gz SYAJHZKWKOJLJB-HIFRSBDPSA-N 2 1 278.465 3.447 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000502701143 277237394 /nfs/dbraw/zinc/23/73/94/277237394.db2.gz ZRDSMZAZFPDDBI-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000502701143 277237395 /nfs/dbraw/zinc/23/73/95/277237395.db2.gz ZRDSMZAZFPDDBI-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000094848914 277380322 /nfs/dbraw/zinc/38/03/22/277380322.db2.gz KAMRBSSHTIEACL-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422817584 277386257 /nfs/dbraw/zinc/38/62/57/277386257.db2.gz HXMFVQIOGARIQR-AEFFLSMTSA-N 3 1 295.515 3.007 20 0 CGADMP C[C@@H]([NH3+])c1ccc(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000414805135 277601971 /nfs/dbraw/zinc/60/19/71/277601971.db2.gz ACLWRLJHFROHKS-IIDMSEBBSA-N 2 1 289.467 3.107 20 0 CGADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414946249 277702178 /nfs/dbraw/zinc/70/21/78/277702178.db2.gz SFWJWNCIRCSPJO-RRQGHBQHSA-N 2 1 276.424 3.047 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395143205 288006489 /nfs/dbraw/zinc/00/64/89/288006489.db2.gz ISIRASCOVJJMRA-GDBMZVCRSA-N 2 1 252.446 3.406 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C[NH3+] ZINC000397274612 288022541 /nfs/dbraw/zinc/02/25/41/288022541.db2.gz PCZDZTMKMOJEAO-JMSVASOKSA-N 2 1 282.378 3.429 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000397287180 288022569 /nfs/dbraw/zinc/02/25/69/288022569.db2.gz VCFQPDSKNBXRPM-CPUCHLNUSA-N 2 1 283.419 3.040 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)cs2)C[C@H]1C[NH3+] ZINC000397305232 288022656 /nfs/dbraw/zinc/02/26/56/288022656.db2.gz MGSWLPIRSAXRBO-GMTAPVOTSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)cs2)C[C@H]1C[NH3+] ZINC000397305232 288022657 /nfs/dbraw/zinc/02/26/57/288022657.db2.gz MGSWLPIRSAXRBO-GMTAPVOTSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000163351662 278227122 /nfs/dbraw/zinc/22/71/22/278227122.db2.gz PDUBNJXEBXLTKV-NWDGAFQWSA-N 2 1 278.362 3.181 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000397438509 288023881 /nfs/dbraw/zinc/02/38/81/288023881.db2.gz HMIDJXBOUXDRFE-IJEWVQPXSA-N 2 1 299.418 3.147 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000397438509 288023884 /nfs/dbraw/zinc/02/38/84/288023884.db2.gz HMIDJXBOUXDRFE-IJEWVQPXSA-N 2 1 299.418 3.147 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC1(C)C ZINC000397571138 288024356 /nfs/dbraw/zinc/02/43/56/288024356.db2.gz DVVAAYKYNYHNFZ-HUUCEWRRSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516654 278264144 /nfs/dbraw/zinc/26/41/44/278264144.db2.gz KIGZLSJVNBMUNM-YQQAZPJKSA-N 2 1 294.483 3.187 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397776975 288030178 /nfs/dbraw/zinc/03/01/78/288030178.db2.gz NZJFMJCTKQOGNT-BMFZPTHFSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C)C1CCC(C[NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000414808699 278301414 /nfs/dbraw/zinc/30/14/14/278301414.db2.gz SPVAWWIKEXLDML-ZALBZXLWSA-N 2 1 252.446 3.166 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358391615 279014549 /nfs/dbraw/zinc/01/45/49/279014549.db2.gz FEDJLCDZROIRDF-BKBUGSPTSA-N 2 1 276.399 3.131 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358391615 279014550 /nfs/dbraw/zinc/01/45/50/279014550.db2.gz FEDJLCDZROIRDF-BKBUGSPTSA-N 2 1 276.399 3.131 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000278314991 279262196 /nfs/dbraw/zinc/26/21/96/279262196.db2.gz UIICEMWBZBKQNU-QGZVFWFLSA-N 2 1 273.424 3.007 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423316212 279298336 /nfs/dbraw/zinc/29/83/36/279298336.db2.gz ASXBIYCXAIOSIV-SWHYSGLUSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)C[NH+](C)C ZINC000425936142 279348613 /nfs/dbraw/zinc/34/86/13/279348613.db2.gz HFKXFASLDJHBAB-TZMCWYRMSA-N 2 1 264.413 3.080 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000268943245 279350687 /nfs/dbraw/zinc/35/06/87/279350687.db2.gz VZXWVAZGKFWBAS-VWPFQQQWSA-N 2 1 278.415 3.248 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000298245326 279472846 /nfs/dbraw/zinc/47/28/46/279472846.db2.gz CXHPCOBVZGDSMW-NSHDSACASA-N 2 1 297.324 3.332 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1nc2c(s1)CCCC2 ZINC000333286999 279504603 /nfs/dbraw/zinc/50/46/03/279504603.db2.gz NNVMLCQMUXGGKS-RWMBFGLXSA-N 2 1 293.480 3.190 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C[C@H](C)O1 ZINC000337390335 288160738 /nfs/dbraw/zinc/16/07/38/288160738.db2.gz NGGDEQBFMQFXPG-ILOCAZANSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527656166 288183045 /nfs/dbraw/zinc/18/30/45/288183045.db2.gz CRUZTJBLCOZDMW-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527656166 288183047 /nfs/dbraw/zinc/18/30/47/288183047.db2.gz CRUZTJBLCOZDMW-SNVBAGLBSA-N 2 1 292.370 3.198 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527656165 288183057 /nfs/dbraw/zinc/18/30/57/288183057.db2.gz CRUZTJBLCOZDMW-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527656165 288183058 /nfs/dbraw/zinc/18/30/58/288183058.db2.gz CRUZTJBLCOZDMW-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000156578808 280012824 /nfs/dbraw/zinc/01/28/24/280012824.db2.gz GXRKYXNBZYUWHS-ARLBYUKCSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@H+]1C ZINC000156578808 280012828 /nfs/dbraw/zinc/01/28/28/280012828.db2.gz GXRKYXNBZYUWHS-ARLBYUKCSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1ccc2c(C)cc(N3CC[C@H](C[NH+](C)C)C3)[nH+]c2c1 ZINC000293248056 281042083 /nfs/dbraw/zinc/04/20/83/281042083.db2.gz ZPULYCZDLCZTNQ-OAHLLOKOSA-N 2 1 283.419 3.240 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C[C@@H]1c1ccccc1 ZINC000530179335 288296410 /nfs/dbraw/zinc/29/64/10/288296410.db2.gz SYKHLRFKKWWJFE-LLLHUVSDSA-N 2 1 270.420 3.053 20 0 CGADMP CC(C)n1ccnc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000530732707 288314936 /nfs/dbraw/zinc/31/49/36/288314936.db2.gz KGQBPXQPRQWMIT-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP CC(C)n1ccnc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000530732707 288314938 /nfs/dbraw/zinc/31/49/38/288314938.db2.gz KGQBPXQPRQWMIT-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP CC(C)n1ccnc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000530732707 288314939 /nfs/dbraw/zinc/31/49/39/288314939.db2.gz KGQBPXQPRQWMIT-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2[nH]cnc2c1)C(C)C ZINC000531282655 288332031 /nfs/dbraw/zinc/33/20/31/288332031.db2.gz UQOXCIACOOBBET-UHFFFAOYSA-N 2 1 288.439 3.161 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2nc[nH]c2c1)C(C)C ZINC000531282655 288332032 /nfs/dbraw/zinc/33/20/32/288332032.db2.gz UQOXCIACOOBBET-UHFFFAOYSA-N 2 1 288.439 3.161 20 0 CGADMP CC(C)CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000549237281 289038753 /nfs/dbraw/zinc/03/87/53/289038753.db2.gz MKADSPZFVKKWHE-WMZOPIPTSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000549237281 289038754 /nfs/dbraw/zinc/03/87/54/289038754.db2.gz MKADSPZFVKKWHE-WMZOPIPTSA-N 2 1 296.499 3.292 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1C=CCCCCC1 ZINC000549672925 289049851 /nfs/dbraw/zinc/04/98/51/289049851.db2.gz ROAZASWNCJXHFV-INIZCTEOSA-N 2 1 250.430 3.293 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC=C(C)CC2)[C@@H](C)C1 ZINC000550887236 289088546 /nfs/dbraw/zinc/08/85/46/289088546.db2.gz XIANUQNQWJVORV-KSZLIROESA-N 2 1 294.483 3.212 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000551030563 289095820 /nfs/dbraw/zinc/09/58/20/289095820.db2.gz VIRDWJUNQQTYGD-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC1(C)C)C1CCCCC1 ZINC000551792854 289133204 /nfs/dbraw/zinc/13/32/04/289133204.db2.gz PTDOAKCOHZBQRD-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000555234306 289335009 /nfs/dbraw/zinc/33/50/09/289335009.db2.gz MWGHHCOQVMGRKJ-HRSCSKTISA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000556202420 289377103 /nfs/dbraw/zinc/37/71/03/289377103.db2.gz NKQALHNTGVAYRD-WNOSKKOXSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000556202420 289377104 /nfs/dbraw/zinc/37/71/04/289377104.db2.gz NKQALHNTGVAYRD-WNOSKKOXSA-N 2 1 276.399 3.002 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558919398 289527539 /nfs/dbraw/zinc/52/75/39/289527539.db2.gz JJYDEOBCXUEHIQ-XFKAJCMBSA-N 2 1 272.436 3.108 20 0 CGADMP C[C@H]1CC2(C[N@H+]1CC1CCCCC1)CC[NH2+]CC2 ZINC000424284163 290363843 /nfs/dbraw/zinc/36/38/43/290363843.db2.gz CWCZEBBDAQMDJV-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCC12CCCC2)C1CCCCC1 ZINC000423260897 295244184 /nfs/dbraw/zinc/24/41/84/295244184.db2.gz IQRPWISNNVMWED-HUUCEWRRSA-N 2 1 250.430 3.206 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNc3ccccc32)CC[N@@H+]1C ZINC000348039927 297287569 /nfs/dbraw/zinc/28/75/69/297287569.db2.gz GDBUPWIPKGRBSL-KEYYUXOJSA-N 2 1 273.424 3.006 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNc3ccccc32)CC[N@H+]1C ZINC000348039927 297287571 /nfs/dbraw/zinc/28/75/71/297287571.db2.gz GDBUPWIPKGRBSL-KEYYUXOJSA-N 2 1 273.424 3.006 20 0 CGADMP Cc1ccsc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230000906 302302127 /nfs/dbraw/zinc/30/21/27/302302127.db2.gz NRBCZFSVQBKPQZ-UHFFFAOYSA-N 2 1 274.433 3.408 20 0 CGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401760265 321969467 /nfs/dbraw/zinc/96/94/67/321969467.db2.gz UQWGCWIDKCAGLC-CABCVRRESA-N 2 1 263.429 3.157 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000563324751 321990293 /nfs/dbraw/zinc/99/02/93/321990293.db2.gz YXRDEXXVNXRPTD-FUHWJXTLSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000564728899 322040449 /nfs/dbraw/zinc/04/04/49/322040449.db2.gz KWJAAUAEOQECAH-RTBURBONSA-N 2 1 286.463 3.249 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000565331520 322073690 /nfs/dbraw/zinc/07/36/90/322073690.db2.gz ITDLHHVBTZQCKQ-MRXNPFEDSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000565432308 322077794 /nfs/dbraw/zinc/07/77/94/322077794.db2.gz ZLKBBRCWMHJOPZ-GDBMZVCRSA-N 2 1 297.402 3.186 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000565432308 322077796 /nfs/dbraw/zinc/07/77/96/322077796.db2.gz ZLKBBRCWMHJOPZ-GDBMZVCRSA-N 2 1 297.402 3.186 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(C)C)[C@H]2CCC[C@@H]21 ZINC000566000567 322100158 /nfs/dbraw/zinc/10/01/58/322100158.db2.gz JOHMLSNZOXKDAC-FZKCQIBNSA-N 2 1 264.457 3.275 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)CCC2 ZINC000566242658 322110975 /nfs/dbraw/zinc/11/09/75/322110975.db2.gz HCLYHJAVHBYKDX-QZTJIDSGSA-N 2 1 288.410 3.279 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000566706549 322134927 /nfs/dbraw/zinc/13/49/27/322134927.db2.gz YLPLLQYVXCJYDK-JFIYKMOQSA-N 2 1 278.484 3.476 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000566748471 322137047 /nfs/dbraw/zinc/13/70/47/322137047.db2.gz KUJJVAVGYFDDGG-CABCVRRESA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000566846653 322140320 /nfs/dbraw/zinc/14/03/20/322140320.db2.gz IITJVUSKEQMLNV-CZUORRHYSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1cccnc1[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000567177051 322153139 /nfs/dbraw/zinc/15/31/39/322153139.db2.gz YDBXGECEDSMWSY-INIZCTEOSA-N 2 1 286.423 3.043 20 0 CGADMP CC(C)C[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000567865140 322180567 /nfs/dbraw/zinc/18/05/67/322180567.db2.gz HGEIRAZQUKKIEW-WMZOPIPTSA-N 2 1 274.452 3.487 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000568105401 322193392 /nfs/dbraw/zinc/19/33/92/322193392.db2.gz UDPRLFRMBFBEOE-CRAIPNDOSA-N 2 1 283.419 3.436 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000568105401 322193394 /nfs/dbraw/zinc/19/33/94/322193394.db2.gz UDPRLFRMBFBEOE-CRAIPNDOSA-N 2 1 283.419 3.436 20 0 CGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000569468706 322248007 /nfs/dbraw/zinc/24/80/07/322248007.db2.gz HNEHLLGGFDKJAV-HOCLYGCPSA-N 2 1 276.424 3.033 20 0 CGADMP Cc1cc([C@H](C)NCC[N@H+]2CC[C@H](C)C2)c(C)s1 ZINC000570128041 322265406 /nfs/dbraw/zinc/26/54/06/322265406.db2.gz RWQBYTGNSCFFSU-AAEUAGOBSA-N 2 1 266.454 3.357 20 0 CGADMP CCc1ccc2[nH+]ccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000570131524 322265521 /nfs/dbraw/zinc/26/55/21/322265521.db2.gz FXCRDQVULIHTOJ-OAHLLOKOSA-N 2 1 295.430 3.115 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000573487976 322390354 /nfs/dbraw/zinc/39/03/54/322390354.db2.gz MXRNYZZZLUGSLU-QRQLOZEOSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573487976 322390358 /nfs/dbraw/zinc/39/03/58/322390358.db2.gz MXRNYZZZLUGSLU-QRQLOZEOSA-N 2 1 284.447 3.240 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573487976 322390362 /nfs/dbraw/zinc/39/03/62/322390362.db2.gz MXRNYZZZLUGSLU-QRQLOZEOSA-N 2 1 284.447 3.240 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC000583370199 327328381 /nfs/dbraw/zinc/32/83/81/327328381.db2.gz WZOCUJAJITZFNU-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000583374067 327330623 /nfs/dbraw/zinc/33/06/23/327330623.db2.gz JCUNTNZJZVTHCW-KRWDZBQOSA-N 2 1 290.426 3.298 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000582126947 327332417 /nfs/dbraw/zinc/33/24/17/327332417.db2.gz ZSKNPJHQPWRRTD-IEWDOMPSSA-N 2 1 284.447 3.395 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582467086 329088633 /nfs/dbraw/zinc/08/86/33/329088633.db2.gz YZYNUKZUZHRGTD-LTIDMASMSA-N 2 1 282.472 3.043 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582467086 329088634 /nfs/dbraw/zinc/08/86/34/329088634.db2.gz YZYNUKZUZHRGTD-LTIDMASMSA-N 2 1 282.472 3.043 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000394589882 329128159 /nfs/dbraw/zinc/12/81/59/329128159.db2.gz ZDUICGOEWHGJNH-FZKCQIBNSA-N 2 1 252.446 3.275 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000582853391 329280552 /nfs/dbraw/zinc/28/05/52/329280552.db2.gz CHULQLZXFBMXJV-KRWDZBQOSA-N 2 1 287.382 3.329 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000582853391 329280554 /nfs/dbraw/zinc/28/05/54/329280554.db2.gz CHULQLZXFBMXJV-KRWDZBQOSA-N 2 1 287.382 3.329 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1C ZINC000576289138 335184309 /nfs/dbraw/zinc/18/43/09/335184309.db2.gz VDHQNCYSELALTE-CZUORRHYSA-N 2 1 288.435 3.126 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1C ZINC000576289138 335184311 /nfs/dbraw/zinc/18/43/11/335184311.db2.gz VDHQNCYSELALTE-CZUORRHYSA-N 2 1 288.435 3.126 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccs2)[C@@H]2CCC[C@@H]21 ZINC000576774451 335246738 /nfs/dbraw/zinc/24/67/38/335246738.db2.gz SPRZHXKEGGMOMF-JYJNAYRXSA-N 2 1 278.465 3.143 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000577214367 335323945 /nfs/dbraw/zinc/32/39/45/335323945.db2.gz HZPSCDNQQRBGMP-BBRMVZONSA-N 2 1 276.424 3.180 20 0 CGADMP C[N@@H+](CCC[NH3+])CCCc1c(Cl)cccc1Cl ZINC000577280499 335334594 /nfs/dbraw/zinc/33/45/94/335334594.db2.gz VHFAXQYUVPEIEM-UHFFFAOYSA-N 2 1 275.223 3.207 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000577447795 335352995 /nfs/dbraw/zinc/35/29/95/335352995.db2.gz XUHWTTHBBJTAGJ-OWLYRPNTSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000577447795 335352996 /nfs/dbraw/zinc/35/29/96/335352996.db2.gz XUHWTTHBBJTAGJ-OWLYRPNTSA-N 2 1 276.468 3.395 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000577447795 335352998 /nfs/dbraw/zinc/35/29/98/335352998.db2.gz XUHWTTHBBJTAGJ-OWLYRPNTSA-N 2 1 276.468 3.395 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000577564430 335369244 /nfs/dbraw/zinc/36/92/44/335369244.db2.gz GMHUJTNPHCHKHS-CRAIPNDOSA-N 2 1 274.452 3.254 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000577564430 335369245 /nfs/dbraw/zinc/36/92/45/335369245.db2.gz GMHUJTNPHCHKHS-CRAIPNDOSA-N 2 1 274.452 3.254 20 0 CGADMP CC/C=C\CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000346568423 335369308 /nfs/dbraw/zinc/36/93/08/335369308.db2.gz OFDSGVYOBOSIGN-TZNMXKOXSA-N 2 1 282.472 3.069 20 0 CGADMP CCC1(CC)[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C[C@@H]1OC ZINC000181693682 335778901 /nfs/dbraw/zinc/77/89/01/335778901.db2.gz DBECGHXMOBUGQU-BMFZPTHFSA-N 2 1 293.455 3.011 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000581162777 336017124 /nfs/dbraw/zinc/01/71/24/336017124.db2.gz CQFYUVGEAKOSNO-BEFAXECRSA-N 2 1 286.463 3.064 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000581162777 336017125 /nfs/dbraw/zinc/01/71/25/336017125.db2.gz CQFYUVGEAKOSNO-BEFAXECRSA-N 2 1 286.463 3.064 20 0 CGADMP CC1(C[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000581288609 336037362 /nfs/dbraw/zinc/03/73/62/336037362.db2.gz OPYAXNPVDFESNO-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@H]1C ZINC000381459417 336064938 /nfs/dbraw/zinc/06/49/38/336064938.db2.gz VBZQPFIHVBEJSD-CWVYHPPDSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1c(F)cccc1Cl ZINC000581436859 336077634 /nfs/dbraw/zinc/07/76/34/336077634.db2.gz FDJUPYSUXNYFMW-NWDGAFQWSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1c(F)cccc1Cl ZINC000581436859 336077636 /nfs/dbraw/zinc/07/76/36/336077636.db2.gz FDJUPYSUXNYFMW-NWDGAFQWSA-N 2 1 284.806 3.223 20 0 CGADMP CC[NH+](CC)Cc1cccc(N[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000382864565 336098346 /nfs/dbraw/zinc/09/83/46/336098346.db2.gz GFQRJJCYGQCFLN-YJBOKZPZSA-N 2 1 289.467 3.281 20 0 CGADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000383579780 336114438 /nfs/dbraw/zinc/11/44/38/336114438.db2.gz OLLDWAAWVKETGA-UHFFFAOYSA-N 2 1 292.426 3.497 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000385108962 336138859 /nfs/dbraw/zinc/13/88/59/336138859.db2.gz COPCDSFKALDWLN-VNHYZAJKSA-N 2 1 252.446 3.131 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000385808189 336157060 /nfs/dbraw/zinc/15/70/60/336157060.db2.gz HTRKCYMYNJYDQN-FJBKBRRZSA-N 2 1 282.497 3.125 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000385808189 336157061 /nfs/dbraw/zinc/15/70/61/336157061.db2.gz HTRKCYMYNJYDQN-FJBKBRRZSA-N 2 1 282.497 3.125 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000386506562 336175986 /nfs/dbraw/zinc/17/59/86/336175986.db2.gz WNGFGTOVLMTKHX-QWHCGFSZSA-N 2 1 266.454 3.146 20 0 CGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000358339282 533834885 /nfs/dbraw/zinc/83/48/85/533834885.db2.gz XSNOVKVRZZZCKF-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)s1 ZINC000423323981 533835908 /nfs/dbraw/zinc/83/59/08/533835908.db2.gz JUNMBWOMLLVUGI-QMMMGPOBSA-N 2 1 289.242 3.043 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071577 533900358 /nfs/dbraw/zinc/90/03/58/533900358.db2.gz SURZNAWGKGEFMJ-LEUOFYLZSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071577 533900364 /nfs/dbraw/zinc/90/03/64/533900364.db2.gz SURZNAWGKGEFMJ-LEUOFYLZSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071577 533900369 /nfs/dbraw/zinc/90/03/69/533900369.db2.gz SURZNAWGKGEFMJ-LEUOFYLZSA-N 2 1 272.436 3.062 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000418071577 533900374 /nfs/dbraw/zinc/90/03/74/533900374.db2.gz SURZNAWGKGEFMJ-LEUOFYLZSA-N 2 1 272.436 3.062 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+][C@@H](C)C3)oc21 ZINC000423380212 533910499 /nfs/dbraw/zinc/91/04/99/533910499.db2.gz NJKZJHCSRKKYDW-OBJOEFQTSA-N 2 1 288.391 3.233 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000423259215 533994807 /nfs/dbraw/zinc/99/48/07/533994807.db2.gz DHXWNLINRYCSBS-BLLLJJGKSA-N 2 1 264.388 3.384 20 0 CGADMP C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000366002332 534003713 /nfs/dbraw/zinc/00/37/13/534003713.db2.gz UXJHHHFWHFYFFK-SJLPKXTDSA-N 2 1 287.451 3.341 20 0 CGADMP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000366002332 534003720 /nfs/dbraw/zinc/00/37/20/534003720.db2.gz UXJHHHFWHFYFFK-SJLPKXTDSA-N 2 1 287.451 3.341 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)CC1CC[NH2+]CC1 ZINC000094012424 519658813 /nfs/dbraw/zinc/65/88/13/519658813.db2.gz JYAUNFIDBJBRIP-UHFFFAOYSA-N 2 1 264.388 3.036 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000150307988 519817762 /nfs/dbraw/zinc/81/77/62/519817762.db2.gz VEJOIASXFNBHKG-CQSZACIVSA-N 2 1 270.367 3.429 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000093942938 519863569 /nfs/dbraw/zinc/86/35/69/519863569.db2.gz ACNDLMLRYPFORU-JKSUJKDBSA-N 2 1 289.467 3.135 20 0 CGADMP COCc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157391110 523106089 /nfs/dbraw/zinc/10/60/89/523106089.db2.gz JOCLWRSPRWIPIZ-ZWKOTPCHSA-N 2 1 282.387 3.067 20 0 CGADMP C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000111824669 523199212 /nfs/dbraw/zinc/19/92/12/523199212.db2.gz GLZCTQGTVYJDHD-AWEZNQCLSA-N 2 1 297.240 3.023 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157395283 524156254 /nfs/dbraw/zinc/15/62/54/524156254.db2.gz KDQFSFXPHAMLKE-UYHISHBKSA-N 2 1 282.387 3.491 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150293134 525022809 /nfs/dbraw/zinc/02/28/09/525022809.db2.gz WJOSPBGXJTWXPN-RISCZKNCSA-N 2 1 268.351 3.183 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000157769795 525442757 /nfs/dbraw/zinc/44/27/57/525442757.db2.gz FPMVUUBPVDWNSQ-CXAGYDPISA-N 2 1 258.409 3.136 20 0 CGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423282446 534879733 /nfs/dbraw/zinc/87/97/33/534879733.db2.gz VZYPWYSMQPFPMY-JQWIXIFHSA-N 2 1 269.458 3.209 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157206067 526467469 /nfs/dbraw/zinc/46/74/69/526467469.db2.gz NOPWSQVZSFKDDC-QGZVFWFLSA-N 2 1 258.409 3.137 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000150290945 527192447 /nfs/dbraw/zinc/19/24/47/527192447.db2.gz NYMLMOHNAIECDE-AWEZNQCLSA-N 2 1 268.351 3.328 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339413758 527411327 /nfs/dbraw/zinc/41/13/27/527411327.db2.gz OIZVHPFFAULCDH-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339413758 527411331 /nfs/dbraw/zinc/41/13/31/527411331.db2.gz OIZVHPFFAULCDH-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP C(C[NH+]1CC[C@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528252 527483178 /nfs/dbraw/zinc/48/31/78/527483178.db2.gz YRQNEQHJTKINNI-WNKDZCFJSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528252 527483180 /nfs/dbraw/zinc/48/31/80/527483180.db2.gz YRQNEQHJTKINNI-WNKDZCFJSA-N 2 1 262.441 3.125 20 0 CGADMP C(C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528252 527483184 /nfs/dbraw/zinc/48/31/84/527483184.db2.gz YRQNEQHJTKINNI-WNKDZCFJSA-N 2 1 262.441 3.125 20 0 CGADMP FC(F)(F)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000059099654 527665830 /nfs/dbraw/zinc/66/58/30/527665830.db2.gz NOLSBHXBBGEMFK-UHFFFAOYSA-N 2 1 286.341 3.193 20 0 CGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000449061413 527827805 /nfs/dbraw/zinc/82/78/05/527827805.db2.gz IOHMDVSIRVFAPP-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CCn1cccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366489370 527886598 /nfs/dbraw/zinc/88/65/98/527886598.db2.gz LGRNBKYNZIMKEV-SFHVURJKSA-N 2 1 289.467 3.062 20 0 CGADMP CC(C)CCn1cccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366489370 527886603 /nfs/dbraw/zinc/88/66/03/527886603.db2.gz LGRNBKYNZIMKEV-SFHVURJKSA-N 2 1 289.467 3.062 20 0 CGADMP CC(C)CCn1cccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366489370 527886609 /nfs/dbraw/zinc/88/66/09/527886609.db2.gz LGRNBKYNZIMKEV-SFHVURJKSA-N 2 1 289.467 3.062 20 0 CGADMP CC(C)CCn1cccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366489370 527886619 /nfs/dbraw/zinc/88/66/19/527886619.db2.gz LGRNBKYNZIMKEV-SFHVURJKSA-N 2 1 289.467 3.062 20 0 CGADMP CC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000358190302 527980089 /nfs/dbraw/zinc/98/00/89/527980089.db2.gz NLAONOUCPGRNCO-UHFFFAOYSA-N 2 1 290.426 3.222 20 0 CGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367614223 528463214 /nfs/dbraw/zinc/46/32/14/528463214.db2.gz FWHJNAATAYNGLM-KSZLIROESA-N 2 1 288.435 3.048 20 0 CGADMP CCC[NH2+]CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423306009 528513320 /nfs/dbraw/zinc/51/33/20/528513320.db2.gz DDAIOMJDQAFDJE-SDDRHHMPSA-N 2 1 286.872 3.483 20 0 CGADMP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423307263 528515059 /nfs/dbraw/zinc/51/50/59/528515059.db2.gz GMSHRTAPAYRUHR-GFCCVEGCSA-N 2 1 288.357 3.226 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1Cl ZINC000423075041 528676394 /nfs/dbraw/zinc/67/63/94/528676394.db2.gz WDSNTNJQNNOJPK-LBPRGKRZSA-N 2 1 296.842 3.216 20 0 CGADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423329651 528690478 /nfs/dbraw/zinc/69/04/78/528690478.db2.gz TVQKINZQGZCNGK-SUMWQHHRSA-N 2 1 276.424 3.253 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423301499 528819859 /nfs/dbraw/zinc/81/98/59/528819859.db2.gz TZVIUHJJHBCUIC-AAEUAGOBSA-N 2 1 266.454 3.405 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423297582 528819895 /nfs/dbraw/zinc/81/98/95/528819895.db2.gz KXCAVBKRMHXHSP-WFASDCNBSA-N 2 1 284.394 3.393 20 0 CGADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1F ZINC000359213082 528880430 /nfs/dbraw/zinc/88/04/30/528880430.db2.gz GXZLMESQKRSPLS-UHFFFAOYSA-N 2 1 278.415 3.426 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423301675 528955540 /nfs/dbraw/zinc/95/55/40/528955540.db2.gz UKZJHVNNSXPWBF-WCQYABFASA-N 2 1 286.366 3.456 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423304427 528957520 /nfs/dbraw/zinc/95/75/20/528957520.db2.gz YUAPJCFLCOOPLP-DGCLKSJQSA-N 2 1 277.437 3.464 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000423300541 528958230 /nfs/dbraw/zinc/95/82/30/528958230.db2.gz RSZTXFJBVYBNPQ-GDBMZVCRSA-N 2 1 264.413 3.253 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000368571656 528986079 /nfs/dbraw/zinc/98/60/79/528986079.db2.gz FJWVAPHLEJSSJN-UHFFFAOYSA-N 2 1 294.389 3.285 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000414292180 528988743 /nfs/dbraw/zinc/98/87/43/528988743.db2.gz BSNDMSPWKULMPK-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000121062568 528988914 /nfs/dbraw/zinc/98/89/14/528988914.db2.gz JBDVHIDNWNFYOZ-WMZOPIPTSA-N 2 1 272.436 3.397 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000192831052 529024523 /nfs/dbraw/zinc/02/45/23/529024523.db2.gz QCMOPTCACKXNAZ-GDBMZVCRSA-N 2 1 276.424 3.367 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000192831052 529024526 /nfs/dbraw/zinc/02/45/26/529024526.db2.gz QCMOPTCACKXNAZ-GDBMZVCRSA-N 2 1 276.424 3.367 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423267744 529071901 /nfs/dbraw/zinc/07/19/01/529071901.db2.gz FSAJTJKAOXYGTN-ZWNOBZJWSA-N 2 1 290.329 3.219 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC1(C)C ZINC000414080826 529157510 /nfs/dbraw/zinc/15/75/10/529157510.db2.gz DMJTYKGORKGSTD-JKSUJKDBSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423326812 529173401 /nfs/dbraw/zinc/17/34/01/529173401.db2.gz RDZNJAHOELDNCN-NXEZZACHSA-N 2 1 258.818 3.180 20 0 CGADMP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423324708 529177587 /nfs/dbraw/zinc/17/75/87/529177587.db2.gz IWRAPFRWTNEIGB-CVEARBPZSA-N 2 1 282.378 3.395 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000423257926 529178563 /nfs/dbraw/zinc/17/85/63/529178563.db2.gz ASQIDMQYGZGHAK-UONOGXRCSA-N 2 1 254.805 3.364 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000091305986 534947344 /nfs/dbraw/zinc/94/73/44/534947344.db2.gz CBEMGQCTRLMUGO-YJBOKZPZSA-N 2 1 272.436 3.459 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000486962161 535527256 /nfs/dbraw/zinc/52/72/56/535527256.db2.gz CWCSCOGGWBGJHT-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000486962161 535527262 /nfs/dbraw/zinc/52/72/62/535527262.db2.gz CWCSCOGGWBGJHT-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343555 536181397 /nfs/dbraw/zinc/18/13/97/536181397.db2.gz QKUYCLSWGIVDRR-IHPCNDPISA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343555 536181401 /nfs/dbraw/zinc/18/14/01/536181401.db2.gz QKUYCLSWGIVDRR-IHPCNDPISA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343555 536181406 /nfs/dbraw/zinc/18/14/06/536181406.db2.gz QKUYCLSWGIVDRR-IHPCNDPISA-N 2 1 298.474 3.454 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000459722883 536344080 /nfs/dbraw/zinc/34/40/80/536344080.db2.gz XAUWOKQELRIZQD-IAGOWNOFSA-N 2 1 272.436 3.110 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000226013994 572344002 /nfs/dbraw/zinc/34/40/02/572344002.db2.gz BHJYPNVJEQLRNY-RDJZCZTQSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H]([NH2+]CC(F)(F)c1ccccc1)C1CC[NH+](C)CC1 ZINC000396472210 572485923 /nfs/dbraw/zinc/48/59/23/572485923.db2.gz YKNSIRFJRBFUKP-ZDUSSCGKSA-N 2 1 282.378 3.098 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2nccc3ccccc32)C1 ZINC000749288168 572991673 /nfs/dbraw/zinc/99/16/73/572991673.db2.gz WRVYKXMHZPGRDI-HZPDHXFCSA-N 2 1 283.419 3.197 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)c(Cl)c1 ZINC000234305529 618179802 /nfs/dbraw/zinc/17/98/02/618179802.db2.gz RITGKKWCURWKNL-UHFFFAOYSA-N 2 1 266.816 3.350 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000223263072 618201275 /nfs/dbraw/zinc/20/12/75/618201275.db2.gz TWWQSBIZMNECPE-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000223263072 618201280 /nfs/dbraw/zinc/20/12/80/618201280.db2.gz TWWQSBIZMNECPE-AWEZNQCLSA-N 2 1 278.415 3.221 20 0 CGADMP C[C@H]1c2ccsc2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891525875 618236367 /nfs/dbraw/zinc/23/63/67/618236367.db2.gz YUKBEOWZXPGPQW-LBPRGKRZSA-N 2 1 264.438 3.009 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000892510827 618825276 /nfs/dbraw/zinc/82/52/76/618825276.db2.gz VPAXMGOPTQROKB-PBHICJAKSA-N 2 1 283.419 3.147 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CCCCC1 ZINC000924559614 618831968 /nfs/dbraw/zinc/83/19/68/618831968.db2.gz LRKOEKSDPGYJIG-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CCSc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000924576546 618867010 /nfs/dbraw/zinc/86/70/10/618867010.db2.gz SJFNXUKRNGHJPQ-AWEZNQCLSA-N 2 1 292.492 3.413 20 0 CGADMP Cc1cc(F)ncc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000892585618 618867695 /nfs/dbraw/zinc/86/76/95/618867695.db2.gz WNKWFRVFSFHJSP-AWEZNQCLSA-N 2 1 293.430 3.131 20 0 CGADMP COCCC1(C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CCCC1 ZINC000925556064 619056179 /nfs/dbraw/zinc/05/61/79/619056179.db2.gz JPWGRUVPXNOYHV-WBVHZDCISA-N 2 1 290.451 3.261 20 0 CGADMP Clc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)s1 ZINC000925592090 619076997 /nfs/dbraw/zinc/07/69/97/619076997.db2.gz DGUGKLPBGFIGEV-LBPRGKRZSA-N 2 1 284.856 3.208 20 0 CGADMP Fc1ccc(CC2(C[NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925615130 619088088 /nfs/dbraw/zinc/08/80/88/619088088.db2.gz LTUVWRWGIMNHCT-INIZCTEOSA-N 2 1 288.410 3.023 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(CC(C)C)nc2)CC1 ZINC000893324602 619095529 /nfs/dbraw/zinc/09/55/29/619095529.db2.gz XEKPBBUEGRLLPQ-UHFFFAOYSA-N 2 1 289.467 3.244 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000925802296 619254823 /nfs/dbraw/zinc/25/48/23/619254823.db2.gz LESDKSPOIICFGQ-NKKGCODLSA-N 2 1 258.409 3.101 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261652194 619299024 /nfs/dbraw/zinc/29/90/24/619299024.db2.gz BCCLBRCPVBKJSM-AAEUAGOBSA-N 2 1 286.341 3.183 20 0 CGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893895349 619330511 /nfs/dbraw/zinc/33/05/11/619330511.db2.gz PXPJOXSJJSQHOE-PSEXLTFBSA-N 2 1 278.362 3.178 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000894206955 619418363 /nfs/dbraw/zinc/41/83/63/619418363.db2.gz LUZAXMDGASNPER-KRWDZBQOSA-N 2 1 290.451 3.041 20 0 CGADMP CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924917427 619440319 /nfs/dbraw/zinc/44/03/19/619440319.db2.gz QNBUAPXTYQBSFR-CVEARBPZSA-N 2 1 291.483 3.129 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924917427 619440321 /nfs/dbraw/zinc/44/03/21/619440321.db2.gz QNBUAPXTYQBSFR-CVEARBPZSA-N 2 1 291.483 3.129 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000262038224 619559033 /nfs/dbraw/zinc/55/90/33/619559033.db2.gz XYHUMJYGBQJKKO-UHFFFAOYSA-N 2 1 286.341 3.198 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000894525772 619562828 /nfs/dbraw/zinc/56/28/28/619562828.db2.gz HVUMOCIODMMBHR-OKILXGFUSA-N 2 1 292.389 3.381 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895670189 619869179 /nfs/dbraw/zinc/86/91/79/619869179.db2.gz BKRKLSBZHGGKFQ-NHZBNJEXSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@@H](CN[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000896721054 620049623 /nfs/dbraw/zinc/04/96/23/620049623.db2.gz LUAHQXIRUZZMGV-LPHOPBHVSA-N 2 1 297.446 3.468 20 0 CGADMP C[C@@H](C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000896721054 620049626 /nfs/dbraw/zinc/04/96/26/620049626.db2.gz LUAHQXIRUZZMGV-LPHOPBHVSA-N 2 1 297.446 3.468 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000925223508 620241823 /nfs/dbraw/zinc/24/18/23/620241823.db2.gz WCBPFLGDARLDPH-NUJGCVRESA-N 2 1 287.451 3.385 20 0 CGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054319 620289946 /nfs/dbraw/zinc/28/99/46/620289946.db2.gz RAGZOTXUCACBSX-UHFFFAOYSA-N 2 1 298.352 3.422 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000237363244 620370457 /nfs/dbraw/zinc/37/04/57/620370457.db2.gz MWNNKXUALCPUDH-NSHDSACASA-N 2 1 295.789 3.410 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1CCC(F)(F)CC1 ZINC000898031957 620469707 /nfs/dbraw/zinc/46/97/07/620469707.db2.gz RNYNUVRZCBXZTJ-UHFFFAOYSA-N 2 1 297.393 3.453 20 0 CGADMP CC(C)C1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000054555967 620518202 /nfs/dbraw/zinc/51/82/02/620518202.db2.gz FOLVNWFAGSQMNN-QQFBHYJXSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1CCCO)[NH+]1CCCC1 ZINC000924630903 620549115 /nfs/dbraw/zinc/54/91/15/620549115.db2.gz JNKHFMBTPUHJIF-KSZLIROESA-N 2 1 296.499 3.028 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000924689493 620563629 /nfs/dbraw/zinc/56/36/29/620563629.db2.gz YLWCECWSROUMGO-IRXDYDNUSA-N 2 1 289.467 3.114 20 0 CGADMP Cl/C=C\C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000898429688 620586762 /nfs/dbraw/zinc/58/67/62/620586762.db2.gz XGHGEFFYAOAAPA-KNAREXGKSA-N 2 1 290.838 3.382 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(Cl)c1 ZINC000042437364 620872080 /nfs/dbraw/zinc/87/20/80/620872080.db2.gz VXVVNDIFEFCKRM-UHFFFAOYSA-N 2 1 254.805 3.291 20 0 CGADMP CNc1ccc(C)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000902279049 621221812 /nfs/dbraw/zinc/22/18/12/621221812.db2.gz JCQRGISGYKZEDK-ALOPSCKCSA-N 2 1 287.451 3.142 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1OC ZINC000902416402 621309251 /nfs/dbraw/zinc/30/92/51/621309251.db2.gz NRCJNNXKLMAOOI-CYBMUJFWSA-N 2 1 292.423 3.016 20 0 CGADMP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466818 621338448 /nfs/dbraw/zinc/33/84/48/621338448.db2.gz NGABANCBSPAUCR-COEWEUQVSA-N 2 1 290.838 3.459 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469377 621340721 /nfs/dbraw/zinc/34/07/21/621340721.db2.gz PUEJXSWZKAASND-URLAMEQQSA-N 2 1 278.827 3.315 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C1CC1 ZINC000903017258 621520178 /nfs/dbraw/zinc/52/01/78/621520178.db2.gz RAJRHRVUTVLARX-QDMKHBRRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055667 621545256 /nfs/dbraw/zinc/54/52/56/621545256.db2.gz JFYSTBOSMDKYPF-SMMMKCNCSA-N 2 1 262.441 3.313 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903061832 621550077 /nfs/dbraw/zinc/55/00/77/621550077.db2.gz KWOBUWVOZGWKBO-WPXLMEDKSA-N 2 1 290.476 3.427 20 0 CGADMP CCC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903117827 621587441 /nfs/dbraw/zinc/58/74/41/621587441.db2.gz RLZVZVIWONUURP-WPXLMEDKSA-N 2 1 250.430 3.313 20 0 CGADMP F[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903186026 621612324 /nfs/dbraw/zinc/61/23/24/621612324.db2.gz NDOSKPLFCYFNIA-IXCHPVQKSA-N 2 1 266.404 3.015 20 0 CGADMP CC1(C)[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1(F)F ZINC000903203340 621626439 /nfs/dbraw/zinc/62/64/39/621626439.db2.gz KLCCQLYPTXJBSW-VWPFFFCUSA-N 2 1 284.394 3.025 20 0 CGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccnc1 ZINC000903189706 621628296 /nfs/dbraw/zinc/62/82/96/621628296.db2.gz GWTAZDJDLRWRMN-ZNXRZULTSA-N 2 1 299.462 3.107 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)(C)C)c1cccnc1 ZINC000903380133 621722396 /nfs/dbraw/zinc/72/23/96/621722396.db2.gz KPSNVOKCKSSAFH-ULQDDVLXSA-N 2 1 289.467 3.489 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+](Cc2ccccc2F)CC2CC2)C1 ZINC000903464073 621753702 /nfs/dbraw/zinc/75/37/02/621753702.db2.gz YSUDGRSZCBKONT-GOEBONIOSA-N 2 1 276.399 3.165 20 0 CGADMP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]C2)cs1 ZINC000903724893 621797252 /nfs/dbraw/zinc/79/72/52/621797252.db2.gz RZODRGPPKINFMF-ZFWWWQNUSA-N 2 1 264.438 3.275 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903749952 621799909 /nfs/dbraw/zinc/79/99/09/621799909.db2.gz SVZDMWPNMLFMCP-AEFFLSMTSA-N 2 1 290.426 3.368 20 0 CGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCCCCF)CCC1 ZINC000903812482 621814447 /nfs/dbraw/zinc/81/44/47/621814447.db2.gz UEZPTPKRVFVSLR-CQSZACIVSA-N 2 1 256.409 3.110 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000903842168 621819510 /nfs/dbraw/zinc/81/95/10/621819510.db2.gz KUFSLESWOKTBHE-UTNFCUCBSA-N 2 1 274.383 3.015 20 0 CGADMP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000903887283 621822134 /nfs/dbraw/zinc/82/21/34/621822134.db2.gz YDZGTKMLNNPLQP-HNNXBMFYSA-N 2 1 282.378 3.271 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903879255 621825328 /nfs/dbraw/zinc/82/53/28/621825328.db2.gz WKEKVFYRQYRHEE-IKKMQULASA-N 2 1 294.389 3.488 20 0 CGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCc2ccccc21 ZINC000903878085 621825402 /nfs/dbraw/zinc/82/54/02/621825402.db2.gz FLBZXLODQXPWSB-NPVYPNSJSA-N 2 1 270.420 3.136 20 0 CGADMP CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCc2ccccc21 ZINC000903884356 621827035 /nfs/dbraw/zinc/82/70/35/621827035.db2.gz XRYPJUAEMMAWSR-DZGCQCFKSA-N 2 1 282.378 3.368 20 0 CGADMP [NH3+][C@H](C[NH2+]C1(Cc2ccccc2)CCCC1)CC(F)F ZINC000903905659 621831268 /nfs/dbraw/zinc/83/12/68/621831268.db2.gz LERIZPPRUUXVNT-AWEZNQCLSA-N 2 1 282.378 3.114 20 0 CGADMP [NH3+][C@H](C[NH2+]CCc1csc2ccccc12)CC(F)F ZINC000903924717 621833979 /nfs/dbraw/zinc/83/39/79/621833979.db2.gz HXYCMZLYSRPKDK-NSHDSACASA-N 2 1 284.375 3.016 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903935522 621835146 /nfs/dbraw/zinc/83/51/46/621835146.db2.gz QYANORXQZLJNLR-XYBQDWFZSA-N 2 1 262.441 3.195 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903916259 621835968 /nfs/dbraw/zinc/83/59/68/621835968.db2.gz GEDPQVQXUJLTGN-ABAIWWIYSA-N 2 1 298.352 3.105 20 0 CGADMP c1ccc2c(c1)ccnc2C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959086 621836827 /nfs/dbraw/zinc/83/68/27/621836827.db2.gz ABRUBCFSOJULHP-LJQANCHMSA-N 2 1 295.430 3.200 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959754 621836906 /nfs/dbraw/zinc/83/69/06/621836906.db2.gz NNIBVCPBRFENSQ-KKMIYCERSA-N 2 1 270.420 3.165 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000903946446 621839588 /nfs/dbraw/zinc/83/95/88/621839588.db2.gz RNSUMBPYPHMUOM-UHFFFAOYSA-N 2 1 289.448 3.308 20 0 CGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000903955171 621843272 /nfs/dbraw/zinc/84/32/72/621843272.db2.gz LYFGGZDETIEEEJ-MRXNPFEDSA-N 2 1 290.357 3.174 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000904307075 621903373 /nfs/dbraw/zinc/90/33/73/621903373.db2.gz KBRTWKCRYCPVPH-XBXGTLAGSA-N 2 1 298.352 3.407 20 0 CGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313967 621904185 /nfs/dbraw/zinc/90/41/85/621904185.db2.gz OZWBPPCPHZRNET-BZZMCLGOSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@]1(C[N@@H+](CCC(F)(F)F)CC2CC2)CCC[NH2+]C1 ZINC000904329124 621907451 /nfs/dbraw/zinc/90/74/51/621907451.db2.gz WDAJBIJEXYDIDF-ZDUSSCGKSA-N 2 1 278.362 3.041 20 0 CGADMP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904341574 621909545 /nfs/dbraw/zinc/90/95/45/621909545.db2.gz PQMLJXWKTFIZHO-BZZMCLGOSA-N 2 1 272.436 3.300 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904371690 621913705 /nfs/dbraw/zinc/91/37/05/621913705.db2.gz RCFQWEVGVODECF-RHSMWYFYSA-N 2 1 278.415 3.078 20 0 CGADMP COc1ccc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000904372330 621913929 /nfs/dbraw/zinc/91/39/29/621913929.db2.gz BFWWLTNEXVXORZ-MRXNPFEDSA-N 2 1 296.842 3.170 20 0 CGADMP COc1ccc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000904372330 621913933 /nfs/dbraw/zinc/91/39/33/621913933.db2.gz BFWWLTNEXVXORZ-MRXNPFEDSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000904371764 621913989 /nfs/dbraw/zinc/91/39/89/621913989.db2.gz SRNSDWQNUUGBAH-ZYHUDNBSSA-N 2 1 286.341 3.180 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000904371764 621913993 /nfs/dbraw/zinc/91/39/93/621913993.db2.gz SRNSDWQNUUGBAH-ZYHUDNBSSA-N 2 1 286.341 3.180 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904376260 621916681 /nfs/dbraw/zinc/91/66/81/621916681.db2.gz NOETVMAGXSADJY-GXSJLCMTSA-N 2 1 272.314 3.075 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)F)c(F)c1 ZINC000904376260 621916686 /nfs/dbraw/zinc/91/66/86/621916686.db2.gz NOETVMAGXSADJY-GXSJLCMTSA-N 2 1 272.314 3.075 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904410988 621919004 /nfs/dbraw/zinc/91/90/04/621919004.db2.gz SCMTWWAKZHHUTI-CQSZACIVSA-N 2 1 284.403 3.019 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000904411711 621919396 /nfs/dbraw/zinc/91/93/96/621919396.db2.gz WSAPRDYZTVNMQN-ZDUSSCGKSA-N 2 1 288.366 3.256 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000904470518 621924798 /nfs/dbraw/zinc/92/47/98/621924798.db2.gz ZBVODNACKMNNPF-NEPJUHHUSA-N 2 1 264.800 3.044 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000057994131 622895557 /nfs/dbraw/zinc/89/55/57/622895557.db2.gz WCYFDQLHSLHFTO-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@@H](C[NH2+]Cc1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000057994316 622895840 /nfs/dbraw/zinc/89/58/40/622895840.db2.gz DICDQHUDHDZYJY-AWEZNQCLSA-N 2 1 272.392 3.254 20 0 CGADMP CSCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230391766 623236428 /nfs/dbraw/zinc/23/64/28/623236428.db2.gz BPMBKGRAWKQOST-HUUCEWRRSA-N 2 1 270.486 3.126 20 0 CGADMP COC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000231024255 623292761 /nfs/dbraw/zinc/29/27/61/623292761.db2.gz DWBRXSFJKFMDEE-UHFFFAOYSA-N 2 1 290.451 3.056 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000152422271 623656403 /nfs/dbraw/zinc/65/64/03/623656403.db2.gz MHTPWPIHDHUISB-HUUCEWRRSA-N 2 1 288.435 3.220 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000152422358 623657314 /nfs/dbraw/zinc/65/73/14/623657314.db2.gz MHTPWPIHDHUISB-LSDHHAIUSA-N 2 1 288.435 3.220 20 0 CGADMP c1ccc(CC[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000914796263 623861507 /nfs/dbraw/zinc/86/15/07/623861507.db2.gz SEXKEIBVLFWNMZ-UHFFFAOYSA-N 2 1 294.442 3.267 20 0 CGADMP c1ccc(CC[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000914796263 623861508 /nfs/dbraw/zinc/86/15/08/623861508.db2.gz SEXKEIBVLFWNMZ-UHFFFAOYSA-N 2 1 294.442 3.267 20 0 CGADMP [NH3+]CC[C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000070073913 624947119 /nfs/dbraw/zinc/94/71/19/624947119.db2.gz SBBQJGXWHRQTDP-GFCCVEGCSA-N 2 1 289.810 3.453 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000070074223 624947315 /nfs/dbraw/zinc/94/73/15/624947315.db2.gz YLARAFHCNUKWMW-GFCCVEGCSA-N 2 1 286.341 3.266 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921499478 624974159 /nfs/dbraw/zinc/97/41/59/624974159.db2.gz ZHVUJRARBIDQNC-UHFFFAOYSA-N 2 1 297.402 3.058 20 0 CGADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCCCO1 ZINC000923311770 626145696 /nfs/dbraw/zinc/14/56/96/626145696.db2.gz WFRHFBRZHFNXIA-FBVQUNGASA-N 2 1 294.483 3.188 20 0 CGADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1Cc2ccccc2C1 ZINC000923309270 626145870 /nfs/dbraw/zinc/14/58/70/626145870.db2.gz JFEGHCJGQDVUMF-DODVFSASSA-N 2 1 284.447 3.006 20 0 CGADMP Fc1ccc2c(c1)CC[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923372741 626149718 /nfs/dbraw/zinc/14/97/18/626149718.db2.gz JLDIWMPFVVOARM-CNUNBNKRSA-N 2 1 288.410 3.105 20 0 CGADMP c1ccc([C@@H]2CSCCC[N@@H+]2CCC[NH2+]C2CC2)cc1 ZINC000923426877 626152958 /nfs/dbraw/zinc/15/29/58/626152958.db2.gz OOKAQCTWYNSSQR-KRWDZBQOSA-N 2 1 290.476 3.309 20 0 CGADMP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000923480134 626157160 /nfs/dbraw/zinc/15/71/60/626157160.db2.gz VUEXNUUNWAZLKQ-VIFPVBQESA-N 2 1 291.197 3.303 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000923480134 626157164 /nfs/dbraw/zinc/15/71/64/626157164.db2.gz VUEXNUUNWAZLKQ-VIFPVBQESA-N 2 1 291.197 3.303 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000923483398 626157268 /nfs/dbraw/zinc/15/72/68/626157268.db2.gz NZZLXIVZBXGBTD-GFCCVEGCSA-N 2 1 289.810 3.059 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495666 626157900 /nfs/dbraw/zinc/15/79/00/626157900.db2.gz DRPMNDDZINVANT-MQIPJXDCSA-N 2 1 282.378 3.333 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000923490756 626158000 /nfs/dbraw/zinc/15/80/00/626158000.db2.gz IAUZURZBVIQJIZ-MRXNPFEDSA-N 2 1 268.404 3.053 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1C[NH3+] ZINC000923499272 626158407 /nfs/dbraw/zinc/15/84/07/626158407.db2.gz MIGSLIBRKVDMDN-KBXCAEBGSA-N 2 1 268.404 3.257 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923496893 626158454 /nfs/dbraw/zinc/15/84/54/626158454.db2.gz CFJGGVHVBZVTML-SMDDNHRTSA-N 2 1 268.351 3.041 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@@H]1C[NH3+] ZINC000923500742 626159594 /nfs/dbraw/zinc/15/95/94/626159594.db2.gz XXUYIRXKGLPBJO-QWHCGFSZSA-N 2 1 274.433 3.318 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000764807250 627225778 /nfs/dbraw/zinc/22/57/78/627225778.db2.gz RZZTWUATTPMZRB-QGZVFWFLSA-N 2 1 260.425 3.302 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000765140745 627241369 /nfs/dbraw/zinc/24/13/69/627241369.db2.gz CBKWWDRJWOZYST-LBPRGKRZSA-N 2 1 269.458 3.091 20 0 CGADMP COc1ccc2c(NC[C@@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000765469765 627251564 /nfs/dbraw/zinc/25/15/64/627251564.db2.gz VBOGWXHCXZXATG-ZDUSSCGKSA-N 2 1 297.402 3.140 20 0 CGADMP COc1ccc2c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c2c1 ZINC000765467187 627251715 /nfs/dbraw/zinc/25/17/15/627251715.db2.gz DDIZOVQEGGLZAI-KGLIPLIRSA-N 2 1 297.402 3.282 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000770732431 627640367 /nfs/dbraw/zinc/64/03/67/627640367.db2.gz CMNHQODWNKIIJL-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000770732431 627640369 /nfs/dbraw/zinc/64/03/69/627640369.db2.gz CMNHQODWNKIIJL-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2cccc(C)c2)[C@H](C)C1 ZINC000772951856 627834321 /nfs/dbraw/zinc/83/43/21/627834321.db2.gz PCMMVLOXSDKOBY-AEFFLSMTSA-N 2 1 290.451 3.084 20 0 CGADMP FCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000777589892 628285386 /nfs/dbraw/zinc/28/53/86/628285386.db2.gz WJQOXUMGEFWIIK-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP FCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000777589892 628285388 /nfs/dbraw/zinc/28/53/88/628285388.db2.gz WJQOXUMGEFWIIK-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000783224769 628690166 /nfs/dbraw/zinc/69/01/66/628690166.db2.gz RSPVMNQDRMIOGY-CRAIPNDOSA-N 2 1 272.436 3.348 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000783224776 628690346 /nfs/dbraw/zinc/69/03/46/628690346.db2.gz RSPVMNQDRMIOGY-QAPCUYQASA-N 2 1 272.436 3.348 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCSC2)C1 ZINC000783569543 628727254 /nfs/dbraw/zinc/72/72/54/628727254.db2.gz UQACWLRCNRFJFR-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCSC2)C1 ZINC000783569543 628727256 /nfs/dbraw/zinc/72/72/56/628727256.db2.gz UQACWLRCNRFJFR-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)cc1 ZINC000788482956 629058038 /nfs/dbraw/zinc/05/80/38/629058038.db2.gz ZPEIYVBSXQNMHW-IBGZPJMESA-N 2 1 286.463 3.344 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000788503486 629060099 /nfs/dbraw/zinc/06/00/99/629060099.db2.gz DARBGKYZLPZLEH-AWEZNQCLSA-N 2 1 291.439 3.092 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1 ZINC000788593626 629066934 /nfs/dbraw/zinc/06/69/34/629066934.db2.gz HAURSMYUEQKXNR-CQSZACIVSA-N 2 1 299.418 3.090 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)C12CCC2 ZINC000864055514 629750540 /nfs/dbraw/zinc/75/05/40/629750540.db2.gz RLLIPLGBCNPMDR-UWVGGRQHSA-N 2 1 290.354 3.126 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000798957469 630128467 /nfs/dbraw/zinc/12/84/67/630128467.db2.gz XUWNZVWDOFOFKZ-UHFFFAOYSA-N 2 1 282.815 3.241 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)c2)CC[N@H+]1C ZINC000865475337 630140601 /nfs/dbraw/zinc/14/06/01/630140601.db2.gz LBAHPLQVMCCNBK-ZBFHGGJFSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178557 630153237 /nfs/dbraw/zinc/15/32/37/630153237.db2.gz UGUNVELMXHYHDE-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP C[C@H](CC[NH2+]Cc1cnc(Cl)c(F)c1)[NH+]1CCCCC1 ZINC000865525860 630168641 /nfs/dbraw/zinc/16/86/41/630168641.db2.gz HSKRXILMNXDDBV-GFCCVEGCSA-N 2 1 299.821 3.228 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000865640877 630243736 /nfs/dbraw/zinc/24/37/36/630243736.db2.gz QBDIFHHGCFXYGN-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CCOc1cc(F)cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000865640877 630243738 /nfs/dbraw/zinc/24/37/38/630243738.db2.gz QBDIFHHGCFXYGN-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933201 630369944 /nfs/dbraw/zinc/36/99/44/630369944.db2.gz KSGBEOKFHSGCSL-KBPBESRZSA-N 2 1 272.502 3.180 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933201 630369946 /nfs/dbraw/zinc/36/99/46/630369946.db2.gz KSGBEOKFHSGCSL-KBPBESRZSA-N 2 1 272.502 3.180 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933201 630369947 /nfs/dbraw/zinc/36/99/47/630369947.db2.gz KSGBEOKFHSGCSL-KBPBESRZSA-N 2 1 272.502 3.180 20 0 CGADMP C[C@H](C[NH2+][C@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCC1 ZINC000806131173 630546108 /nfs/dbraw/zinc/54/61/08/630546108.db2.gz HTSLBXGYHBZVLT-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CCCCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)C ZINC000808679855 630664101 /nfs/dbraw/zinc/66/41/01/630664101.db2.gz CGWFYLWJIJSZTQ-QGZVFWFLSA-N 2 1 298.515 3.418 20 0 CGADMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809737424 630795568 /nfs/dbraw/zinc/79/55/68/630795568.db2.gz HPBZHLTWKFDUSN-UHFFFAOYSA-N 2 1 283.419 3.084 20 0 CGADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817904913 632233140 /nfs/dbraw/zinc/23/31/40/632233140.db2.gz HIRLRBSGZXZYIT-RPTUDFQQSA-N 2 1 296.414 3.233 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000817960572 632256682 /nfs/dbraw/zinc/25/66/82/632256682.db2.gz OLRUMWHCMFLQHR-CQSZACIVSA-N 2 1 286.423 3.040 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000817981494 632271957 /nfs/dbraw/zinc/27/19/57/632271957.db2.gz LBVYPURZPJNAFX-DYVFJYSZSA-N 2 1 276.424 3.253 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cncc3ccccc31)CC[NH2+]CC2 ZINC000818431504 632317989 /nfs/dbraw/zinc/31/79/89/632317989.db2.gz OQXKGKLWORLDEN-OAHLLOKOSA-N 2 1 295.430 3.199 20 0 CGADMP C[NH+]1CCC([NH2+]CC2(c3cccc(Cl)c3)CCC2)CC1 ZINC000865776554 632886280 /nfs/dbraw/zinc/88/62/80/632886280.db2.gz AHICPWGSJIQFJR-UHFFFAOYSA-N 2 1 292.854 3.446 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C[C@H](C)O1 ZINC000865804725 632895062 /nfs/dbraw/zinc/89/50/62/632895062.db2.gz GEQOONCXBAQSNI-LHHMISFZSA-N 2 1 294.483 3.329 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C[C@H](C)O1 ZINC000865804725 632895068 /nfs/dbraw/zinc/89/50/68/632895068.db2.gz GEQOONCXBAQSNI-LHHMISFZSA-N 2 1 294.483 3.329 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822770959 633019714 /nfs/dbraw/zinc/01/97/14/633019714.db2.gz NQRFRTZXMDWUCO-GFCCVEGCSA-N 2 1 290.238 3.097 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822770959 633019718 /nfs/dbraw/zinc/01/97/18/633019718.db2.gz NQRFRTZXMDWUCO-GFCCVEGCSA-N 2 1 290.238 3.097 20 0 CGADMP Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000866208941 633029685 /nfs/dbraw/zinc/02/96/85/633029685.db2.gz YDOLSLKPVYSYMH-PBHICJAKSA-N 2 1 281.403 3.074 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000866369274 633105911 /nfs/dbraw/zinc/10/59/11/633105911.db2.gz KJXSSGSBYVINCP-MRXNPFEDSA-N 2 1 274.452 3.390 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866584188 633203620 /nfs/dbraw/zinc/20/36/20/633203620.db2.gz NKAMVIPLOOHGCZ-UXLLHSPISA-N 2 1 258.409 3.082 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584188 633203622 /nfs/dbraw/zinc/20/36/22/633203622.db2.gz NKAMVIPLOOHGCZ-UXLLHSPISA-N 2 1 258.409 3.082 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584188 633203628 /nfs/dbraw/zinc/20/36/28/633203628.db2.gz NKAMVIPLOOHGCZ-UXLLHSPISA-N 2 1 258.409 3.082 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000866705308 633234423 /nfs/dbraw/zinc/23/44/23/633234423.db2.gz XQIBILQUKJNNPO-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000866705308 633234426 /nfs/dbraw/zinc/23/44/26/633234426.db2.gz XQIBILQUKJNNPO-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)nc1Cl ZINC000866709083 633235656 /nfs/dbraw/zinc/23/56/56/633235656.db2.gz PMYVAUICVRAVHD-INIZCTEOSA-N 2 1 295.858 3.240 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)nc1Cl ZINC000866709083 633235660 /nfs/dbraw/zinc/23/56/60/633235660.db2.gz PMYVAUICVRAVHD-INIZCTEOSA-N 2 1 295.858 3.240 20 0 CGADMP C[N@H+]1CCCC12CCN(C[C@@]1(C)CC1(Cl)Cl)CC2 ZINC000828614360 633634587 /nfs/dbraw/zinc/63/45/87/633634587.db2.gz OJQPYTFRGHSUFR-GFCCVEGCSA-N 2 1 291.266 3.131 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@]1(C)CC1(Cl)Cl)CC2 ZINC000828614360 633634591 /nfs/dbraw/zinc/63/45/91/633634591.db2.gz OJQPYTFRGHSUFR-GFCCVEGCSA-N 2 1 291.266 3.131 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@@]1(C)CC1(Cl)Cl)CC2 ZINC000828614360 633634594 /nfs/dbraw/zinc/63/45/94/633634594.db2.gz OJQPYTFRGHSUFR-GFCCVEGCSA-N 2 1 291.266 3.131 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]CCC[N@@H+](C)C(C)C ZINC000872021248 633942201 /nfs/dbraw/zinc/94/22/01/633942201.db2.gz PLWJYZKTIPXUJY-GFCCVEGCSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C(C)(C)CC ZINC000872032908 633951533 /nfs/dbraw/zinc/95/15/33/633951533.db2.gz BWJMJNCVSOLBJG-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000872032554 633951885 /nfs/dbraw/zinc/95/18/85/633951885.db2.gz WBPQAXGTVVFOBH-RYUDHWBXSA-N 2 1 268.367 3.427 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C1CC1 ZINC000872079474 634003007 /nfs/dbraw/zinc/00/30/07/634003007.db2.gz YTTAWRXEQCWWES-HOCLYGCPSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000872087297 634013552 /nfs/dbraw/zinc/01/35/52/634013552.db2.gz IEQBEYMEYDLUJH-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@H]2C=CCC2)CC1(C)C ZINC000872105982 634027928 /nfs/dbraw/zinc/02/79/28/634027928.db2.gz GKAYFJZTSXCICM-GJZGRUSLSA-N 2 1 250.430 3.195 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000846217549 636161346 /nfs/dbraw/zinc/16/13/46/636161346.db2.gz JZGVFYQREFINBC-MRXNPFEDSA-N 2 1 264.388 3.482 20 0 CGADMP Cc1conc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157716 634067362 /nfs/dbraw/zinc/06/73/62/634067362.db2.gz PVWHMKKKCKBGKF-GDBMZVCRSA-N 2 1 291.439 3.103 20 0 CGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCCCCCO)C1)C1CCCC1 ZINC000872158124 634069166 /nfs/dbraw/zinc/06/91/66/634069166.db2.gz TXPGQOMTVQQAIC-FUHWJXTLSA-N 2 1 296.499 3.159 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2ccncc2)C1)C1CCCC1 ZINC000872158427 634069640 /nfs/dbraw/zinc/06/96/40/634069640.db2.gz VARSDCPEIWHBMR-AEFFLSMTSA-N 2 1 287.451 3.201 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873029868 634234214 /nfs/dbraw/zinc/23/42/14/634234214.db2.gz UMCTWUZOYRUMEE-HNNXBMFYSA-N 2 1 283.419 3.055 20 0 CGADMP C[N@@H+](CCCC[NH2+]Cc1cccc2ncccc12)C1CC1 ZINC000873130488 634252649 /nfs/dbraw/zinc/25/26/49/634252649.db2.gz FOKTZYNMTFJGKR-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC[N@H+]1C ZINC000834891910 634270046 /nfs/dbraw/zinc/27/00/46/634270046.db2.gz JWPHXDMUYZXPPQ-UTUOFQBUSA-N 2 1 279.255 3.033 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2nc(Cl)ccc21)C1CC1 ZINC000834907802 634283317 /nfs/dbraw/zinc/28/33/17/634283317.db2.gz CRCMVXKJVGSSMF-AWEZNQCLSA-N 2 1 293.842 3.186 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909006 634284328 /nfs/dbraw/zinc/28/43/28/634284328.db2.gz ICXPGFLMTZHXDH-GFCCVEGCSA-N 2 1 279.428 3.070 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234150 634295738 /nfs/dbraw/zinc/29/57/38/634295738.db2.gz CCGMRIISORWRMS-RYUDHWBXSA-N 2 1 280.378 3.475 20 0 CGADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])s1 ZINC000873282578 634316765 /nfs/dbraw/zinc/31/67/65/634316765.db2.gz VNCHGBWEHZATJZ-VXGBXAGGSA-N 2 1 252.427 3.015 20 0 CGADMP CSC(C)(C)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000876754311 634892673 /nfs/dbraw/zinc/89/26/73/634892673.db2.gz FUIKWXOQDJXXNZ-HNNXBMFYSA-N 2 1 284.513 3.468 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC000876942907 634933272 /nfs/dbraw/zinc/93/32/72/634933272.db2.gz ILOXLVJTGYMWJW-BZUAXINKSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1cc([NH+](C)C)cc(C)c1NC[C@H]([NH3+])CC(C)C ZINC000841011976 635106415 /nfs/dbraw/zinc/10/64/15/635106415.db2.gz VVAJDPYFTFIPST-CQSZACIVSA-N 2 1 263.429 3.155 20 0 CGADMP CCCCn1nc(C)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1Cl ZINC000841054997 635115387 /nfs/dbraw/zinc/11/53/87/635115387.db2.gz KBIFAWFWVDJLDA-OLZOCXBDSA-N 2 1 298.862 3.005 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCSC(C)(C)C)C2)C1 ZINC000878652623 635592169 /nfs/dbraw/zinc/59/21/69/635592169.db2.gz SKMVWYNDSDLDIX-MRXNPFEDSA-N 2 1 284.513 3.326 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCSC(C)(C)C)C2)C1 ZINC000878652623 635592173 /nfs/dbraw/zinc/59/21/73/635592173.db2.gz SKMVWYNDSDLDIX-MRXNPFEDSA-N 2 1 284.513 3.326 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCSC(C)(C)C)C2)C1 ZINC000878652623 635592177 /nfs/dbraw/zinc/59/21/77/635592177.db2.gz SKMVWYNDSDLDIX-MRXNPFEDSA-N 2 1 284.513 3.326 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000879579045 635815432 /nfs/dbraw/zinc/81/54/32/635815432.db2.gz IWMSPFDDXIQJCU-SCTDSRPQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000879579045 635815437 /nfs/dbraw/zinc/81/54/37/635815437.db2.gz IWMSPFDDXIQJCU-SCTDSRPQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000879579045 635815443 /nfs/dbraw/zinc/81/54/43/635815443.db2.gz IWMSPFDDXIQJCU-SCTDSRPQSA-N 2 1 284.447 3.133 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000866 635895603 /nfs/dbraw/zinc/89/56/03/635895603.db2.gz ORKRMNGRBDXGJR-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000866 635895605 /nfs/dbraw/zinc/89/56/05/635895605.db2.gz ORKRMNGRBDXGJR-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000866 635895609 /nfs/dbraw/zinc/89/56/09/635895609.db2.gz ORKRMNGRBDXGJR-CHWSQXEVSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000880201196 635935355 /nfs/dbraw/zinc/93/53/55/635935355.db2.gz HOJHVTTYGYNVPF-WBVHZDCISA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000880201196 635935358 /nfs/dbraw/zinc/93/53/58/635935358.db2.gz HOJHVTTYGYNVPF-WBVHZDCISA-N 2 1 296.499 3.292 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCOC2CCC2)CC1 ZINC000880253747 635958119 /nfs/dbraw/zinc/95/81/19/635958119.db2.gz ADUFSOIZRYLFET-UHFFFAOYSA-N 2 1 294.483 3.286 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CC1(Cl)Cl ZINC000880516262 636013485 /nfs/dbraw/zinc/01/34/85/636013485.db2.gz HLTOQKIXKXFBET-ZDUSSCGKSA-N 2 1 293.282 3.378 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc(Cl)n1 ZINC000845995238 636127676 /nfs/dbraw/zinc/12/76/76/636127676.db2.gz ASNIZVGOOWLBMR-UHFFFAOYSA-N 2 1 283.847 3.111 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cc(Cl)n1 ZINC000845995238 636127679 /nfs/dbraw/zinc/12/76/79/636127679.db2.gz ASNIZVGOOWLBMR-UHFFFAOYSA-N 2 1 283.847 3.111 20 0 CGADMP CC[N@@H+](CCCCCC[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000846218880 636161912 /nfs/dbraw/zinc/16/19/12/636161912.db2.gz XKVSIDWPZQJXNB-AWEZNQCLSA-N 2 1 264.413 3.294 20 0 CGADMP CCSc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000883245118 636613859 /nfs/dbraw/zinc/61/38/59/636613859.db2.gz DUGKZGFLTIJSFX-HIFRSBDPSA-N 2 1 278.465 3.371 20 0 CGADMP CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000883270430 636641787 /nfs/dbraw/zinc/64/17/87/636641787.db2.gz NWVVKRWUOJNCGO-YEWWUXTCSA-N 2 1 299.418 3.256 20 0 CGADMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+](C)CC(C)C)c1 ZINC000849046545 636730264 /nfs/dbraw/zinc/73/02/64/636730264.db2.gz IINUGHHNUIVDHW-UHFFFAOYSA-N 2 1 290.455 3.218 20 0 CGADMP CCc1cccc(NC(=[NH2+])NCCC[N@@H+](C)CC(C)C)c1 ZINC000849047262 636731134 /nfs/dbraw/zinc/73/11/34/636731134.db2.gz SFZBCRNHECGBBY-UHFFFAOYSA-N 2 1 290.455 3.163 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883428031 636752346 /nfs/dbraw/zinc/75/23/46/636752346.db2.gz JWKKTANCHMXXHH-KSZLIROESA-N 2 1 288.435 3.110 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000883430103 636753286 /nfs/dbraw/zinc/75/32/86/636753286.db2.gz NHHJYZNWBPMCCW-UONOGXRCSA-N 2 1 274.399 3.309 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000883439395 636756739 /nfs/dbraw/zinc/75/67/39/636756739.db2.gz QAGQJNHSMBCETG-YOEHRIQHSA-N 2 1 282.472 3.031 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC000135371999 637124581 /nfs/dbraw/zinc/12/45/81/637124581.db2.gz XLHWGEHQHHBJJO-UHFFFAOYSA-N 2 1 283.419 3.199 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885938019 637321473 /nfs/dbraw/zinc/32/14/73/637321473.db2.gz PGIVWYUDSBXYDT-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000886000275 637351660 /nfs/dbraw/zinc/35/16/60/637351660.db2.gz ZIAOHKJNXZEYEO-ALCCZGGFSA-N 2 1 287.382 3.414 20 0 CGADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000886016924 637365599 /nfs/dbraw/zinc/36/55/99/637365599.db2.gz OQXKEPDHUQFBLI-SQNIBIBYSA-N 2 1 276.468 3.373 20 0 CGADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081242 637402700 /nfs/dbraw/zinc/40/27/00/637402700.db2.gz KPANOXNRHUVVPQ-FPAYPSAMSA-N 2 1 288.479 3.371 20 0 CGADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081242 637402702 /nfs/dbraw/zinc/40/27/02/637402702.db2.gz KPANOXNRHUVVPQ-FPAYPSAMSA-N 2 1 288.479 3.371 20 0 CGADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081242 637402719 /nfs/dbraw/zinc/40/27/19/637402719.db2.gz KPANOXNRHUVVPQ-FPAYPSAMSA-N 2 1 288.479 3.371 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000886142771 637433285 /nfs/dbraw/zinc/43/32/85/637433285.db2.gz KPRQJLDYSCMFFB-UYZDIKGJSA-N 2 1 276.399 3.160 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000219229460 637512913 /nfs/dbraw/zinc/51/29/13/637512913.db2.gz DNNWZRBITWLBFH-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000219229460 637512916 /nfs/dbraw/zinc/51/29/16/637512916.db2.gz DNNWZRBITWLBFH-INIZCTEOSA-N 2 1 282.472 3.190 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886520867 637551928 /nfs/dbraw/zinc/55/19/28/637551928.db2.gz OXUQZKICSQGKSX-WWDZGPRUSA-N 3 1 295.515 3.103 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886520867 637551937 /nfs/dbraw/zinc/55/19/37/637551937.db2.gz OXUQZKICSQGKSX-WWDZGPRUSA-N 3 1 295.515 3.103 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000886522402 637551972 /nfs/dbraw/zinc/55/19/72/637551972.db2.gz IKMQKRYYIPUOTM-GOSISDBHSA-N 2 1 295.430 3.310 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(CF)cc1)C2 ZINC000852104661 637597834 /nfs/dbraw/zinc/59/78/34/637597834.db2.gz DTPDGGNGPDQMHK-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(CF)cc1)C2 ZINC000852104661 637597838 /nfs/dbraw/zinc/59/78/38/637597838.db2.gz DTPDGGNGPDQMHK-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(CF)cc1)C2 ZINC000852104661 637597840 /nfs/dbraw/zinc/59/78/40/637597840.db2.gz DTPDGGNGPDQMHK-QGZVFWFLSA-N 2 1 276.399 3.074 20 0 CGADMP C=C/C=C/CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659535 637637451 /nfs/dbraw/zinc/63/74/51/637637451.db2.gz PCTYJMSFEUFBDD-AATRIKPKSA-N 2 1 259.397 3.338 20 0 CGADMP Cc1ncc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)s1 ZINC000886659721 637637748 /nfs/dbraw/zinc/63/77/48/637637748.db2.gz UGDWHNKZYFSCMU-UHFFFAOYSA-N 2 1 290.436 3.171 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000852754748 637706607 /nfs/dbraw/zinc/70/66/07/637706607.db2.gz ZONMTLSRLPBWEU-OAHLLOKOSA-N 2 1 291.439 3.010 20 0 CGADMP FC(F)(F)CCCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873910 637715378 /nfs/dbraw/zinc/71/53/78/637715378.db2.gz BDMQBGAZGBVXNY-ZDUSSCGKSA-N 2 1 278.362 3.185 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000924616915 638376112 /nfs/dbraw/zinc/37/61/12/638376112.db2.gz GLZPWNOOZWSQNI-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000924616915 638376116 /nfs/dbraw/zinc/37/61/16/638376116.db2.gz GLZPWNOOZWSQNI-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)[NH+](C)C ZINC000924633210 638380339 /nfs/dbraw/zinc/38/03/39/638380339.db2.gz OOMUSECQERXAAM-ZWKOTPCHSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@@H+]1CCCC[C@H]1C ZINC000924659735 638385738 /nfs/dbraw/zinc/38/57/38/638385738.db2.gz GLQCVJUVRYFJOJ-MHAAMQRSSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[N@H+]1CCCC[C@H]1C ZINC000924659735 638385744 /nfs/dbraw/zinc/38/57/44/638385744.db2.gz GLQCVJUVRYFJOJ-MHAAMQRSSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924683194 638388814 /nfs/dbraw/zinc/38/88/14/638388814.db2.gz FVIVRQURKSFQES-XMTFNYHQSA-N 2 1 296.499 3.005 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CO[C@@H](C)[C@@H]2C)c1 ZINC000924827171 638410270 /nfs/dbraw/zinc/41/02/70/638410270.db2.gz AJMRJUCUNVYPCL-MPGHIAIKSA-N 2 1 290.451 3.040 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924954945 638430249 /nfs/dbraw/zinc/43/02/49/638430249.db2.gz LVKFZTPGVANEGN-LZLYRXPVSA-N 2 1 289.467 3.113 20 0 CGADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000925514436 638515745 /nfs/dbraw/zinc/51/57/45/638515745.db2.gz OKKRQBFVLHEFLS-GJZGRUSLSA-N 2 1 299.418 3.337 20 0 CGADMP COCC(C)(C)CCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925676086 638565989 /nfs/dbraw/zinc/56/59/89/638565989.db2.gz YMETVQWYSAGOGH-GOEBONIOSA-N 2 1 278.440 3.117 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000925720319 638580074 /nfs/dbraw/zinc/58/00/74/638580074.db2.gz GJQAMMVRGNMPPD-CYZMBNFOSA-N 2 1 287.234 3.248 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925720826 638580174 /nfs/dbraw/zinc/58/01/74/638580174.db2.gz UVPRWTJFCPVWAT-QBPKDAKJSA-N 2 1 282.472 3.090 20 0 CGADMP C[C@@H]([C@H]1CCCC[C@H]1C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750799 638597080 /nfs/dbraw/zinc/59/70/80/638597080.db2.gz HRONCYLEKPEONI-AGIUHOORSA-N 2 1 293.480 3.175 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857907406 638599702 /nfs/dbraw/zinc/59/97/02/638599702.db2.gz NXGUSDFUOPIOJP-MCIONIFRSA-N 2 1 293.842 3.185 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775538 638608419 /nfs/dbraw/zinc/60/84/19/638608419.db2.gz GZDIHHNSFGFKBS-NWDGAFQWSA-N 2 1 286.341 3.030 20 0 CGADMP CC(C)N1CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925817546 638621014 /nfs/dbraw/zinc/62/10/14/638621014.db2.gz QAEFCPGEDVWKSO-UHFFFAOYSA-N 2 1 295.515 3.009 20 0 CGADMP CC(C)C(C(C)C)[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814629 638621194 /nfs/dbraw/zinc/62/11/94/638621194.db2.gz NQCBRBUNMONXPQ-KBPBESRZSA-N 2 1 263.429 3.104 20 0 CGADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925821760 638621486 /nfs/dbraw/zinc/62/14/86/638621486.db2.gz IOBUTYWKAQQPBI-QHLBKBKOSA-N 2 1 270.420 3.114 20 0 CGADMP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000925837117 638626657 /nfs/dbraw/zinc/62/66/57/638626657.db2.gz OAHSKTSRMCPEIF-BRWVUGGUSA-N 2 1 287.451 3.099 20 0 CGADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2ccccc2n1 ZINC000925843021 638630172 /nfs/dbraw/zinc/63/01/72/638630172.db2.gz MCHWQEYGAVDZHP-NIKGAXFTSA-N 2 1 295.430 3.418 20 0 CGADMP CC1([NH+]2CCC2)CCC([NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000925862048 638633927 /nfs/dbraw/zinc/63/39/27/638633927.db2.gz WPXKYUNYOJLJAQ-UGAWAQNWSA-N 2 1 299.462 3.128 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872670 638639081 /nfs/dbraw/zinc/63/90/81/638639081.db2.gz WZABUQMEEBXHJH-DJIMGWMZSA-N 2 1 287.451 3.359 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)CC1(C)C ZINC000858172090 638649158 /nfs/dbraw/zinc/64/91/58/638649158.db2.gz JLVHHRMGGKUIQW-WCQYABFASA-N 2 1 293.282 3.423 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1(C)C ZINC000858172997 638649700 /nfs/dbraw/zinc/64/97/00/638649700.db2.gz NMBDADBLHGSRNQ-ZYHUDNBSSA-N 2 1 279.255 3.033 20 0 CGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(C(F)F)cc1 ZINC000926185849 638732836 /nfs/dbraw/zinc/73/28/36/638732836.db2.gz YWGYIVCWIPWFEK-YIONKMFJSA-N 2 1 280.362 3.054 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926445217 638772210 /nfs/dbraw/zinc/77/22/10/638772210.db2.gz VZWDXPWUFLJOSU-FFHGMXDLSA-N 2 1 270.486 3.123 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926445217 638772212 /nfs/dbraw/zinc/77/22/12/638772212.db2.gz VZWDXPWUFLJOSU-FFHGMXDLSA-N 2 1 270.486 3.123 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C/C=C(\C)COC)CC1 ZINC000929294642 638916740 /nfs/dbraw/zinc/91/67/40/638916740.db2.gz CWUQHEWIDANTSH-FRKPEAEDSA-N 2 1 282.472 3.023 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(F)c2)[C@H](C)C1 ZINC000930001235 638967392 /nfs/dbraw/zinc/96/73/92/638967392.db2.gz SGNYKQNSWWPIMY-PBHICJAKSA-N 2 1 278.415 3.030 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(F)F)[C@@H](C)C1 ZINC000929998741 638967441 /nfs/dbraw/zinc/96/74/41/638967441.db2.gz GKIZSHGUYGKZQJ-QWHCGFSZSA-N 2 1 262.388 3.084 20 0 CGADMP C[N@@H+](C[C@@H]1CCCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930458635 639002617 /nfs/dbraw/zinc/00/26/17/639002617.db2.gz BQHGXHSKAFQYPD-WFVVYAPDSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+](C[C@@H]1CCCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930458635 639002624 /nfs/dbraw/zinc/00/26/24/639002624.db2.gz BQHGXHSKAFQYPD-WFVVYAPDSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+](C[C@@H]1CCCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930458635 639002627 /nfs/dbraw/zinc/00/26/27/639002627.db2.gz BQHGXHSKAFQYPD-WFVVYAPDSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+]1C[C@@]2(C)C[NH+](C[C@@H]3C[C@H]3c3ccccc3)C[C@]2(C)C1 ZINC000931315548 639132688 /nfs/dbraw/zinc/13/26/88/639132688.db2.gz XFYJSIFXXLIZQX-VJANTYMQSA-N 2 1 284.447 3.064 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436016 639148945 /nfs/dbraw/zinc/14/89/45/639148945.db2.gz JTQIPVKGPIPZHA-FRRDWIJNSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436016 639148946 /nfs/dbraw/zinc/14/89/46/639148946.db2.gz JTQIPVKGPIPZHA-FRRDWIJNSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436016 639148948 /nfs/dbraw/zinc/14/89/48/639148948.db2.gz JTQIPVKGPIPZHA-FRRDWIJNSA-N 2 1 296.817 3.424 20 0 CGADMP C[C@H](c1cccc(Cl)c1F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436016 639148950 /nfs/dbraw/zinc/14/89/50/639148950.db2.gz JTQIPVKGPIPZHA-FRRDWIJNSA-N 2 1 296.817 3.424 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000931472527 639157506 /nfs/dbraw/zinc/15/75/06/639157506.db2.gz UBHMUMUSZIMCDS-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC/C=C\c1ccccc1 ZINC000931718863 639196951 /nfs/dbraw/zinc/19/69/51/639196951.db2.gz GFQLVEHNHTZAOH-MEDMHYDHSA-N 2 1 270.420 3.258 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC/C=C\c1ccccc1 ZINC000931718863 639196957 /nfs/dbraw/zinc/19/69/57/639196957.db2.gz GFQLVEHNHTZAOH-MEDMHYDHSA-N 2 1 270.420 3.258 20 0 CGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC/C=C\c1ccccc1 ZINC000931718863 639196962 /nfs/dbraw/zinc/19/69/62/639196962.db2.gz GFQLVEHNHTZAOH-MEDMHYDHSA-N 2 1 270.420 3.258 20 0 CGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC/C=C\c1ccccc1 ZINC000931718863 639196968 /nfs/dbraw/zinc/19/69/68/639196968.db2.gz GFQLVEHNHTZAOH-MEDMHYDHSA-N 2 1 270.420 3.258 20 0 CGADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000932167488 639284122 /nfs/dbraw/zinc/28/41/22/639284122.db2.gz VLRRYEGZAMTLOD-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000159322347 640040131 /nfs/dbraw/zinc/04/01/31/640040131.db2.gz SAOCKDTZDQDCGM-UHFFFAOYSA-N 2 1 287.451 3.009 20 0 CGADMP CSc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091844084 640723587 /nfs/dbraw/zinc/72/35/87/640723587.db2.gz ORUKMPXPLIRLAG-UHFFFAOYSA-N 2 1 264.438 3.110 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252439298 640845395 /nfs/dbraw/zinc/84/53/95/640845395.db2.gz MSTNOWUWGQJTMQ-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133662 640858363 /nfs/dbraw/zinc/85/83/63/640858363.db2.gz CVKDNZYWCVHWSS-MSOLQXFVSA-N 2 1 272.436 3.398 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415133662 640858367 /nfs/dbraw/zinc/85/83/67/640858367.db2.gz CVKDNZYWCVHWSS-MSOLQXFVSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@H](CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415136419 640859055 /nfs/dbraw/zinc/85/90/55/640859055.db2.gz HIYZKRDVTKSADU-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC000415136419 640859057 /nfs/dbraw/zinc/85/90/57/640859057.db2.gz HIYZKRDVTKSADU-NVXWUHKLSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccccc1Br ZINC000304584165 640865476 /nfs/dbraw/zinc/86/54/76/640865476.db2.gz KDZNKKKXTZHLEQ-JTQLQIEISA-N 2 1 285.229 3.227 20 0 CGADMP Cc1[nH+]ccn1CCNc1[nH+]c(C)cc2ccccc21 ZINC001156010174 805638804 /nfs/dbraw/zinc/63/88/04/805638804.db2.gz HWJNLUONVXWSLE-UHFFFAOYSA-N 2 1 266.348 3.160 20 0 CGADMP Cc1ccc2c(C)cc(N(C)C3CC[NH2+]CC3)[nH+]c2c1C ZINC001156180392 805664526 /nfs/dbraw/zinc/66/45/26/805664526.db2.gz GPZQAVYIZRPZRF-UHFFFAOYSA-N 2 1 283.419 3.348 20 0 CGADMP CC(C)[NH+]1CCC(CNc2cccc(C3CC3)[nH+]2)CC1 ZINC001156502129 805705133 /nfs/dbraw/zinc/70/51/33/805705133.db2.gz IWYOJZJBSWCTHE-UHFFFAOYSA-N 2 1 273.424 3.491 20 0 CGADMP Cc1ccc(N2CCC(C)([NH+]3CCCC3)CC2)[nH+]c1C ZINC001157657969 805845959 /nfs/dbraw/zinc/84/59/59/805845959.db2.gz TXAZHHUDFHFEFH-UHFFFAOYSA-N 2 1 273.424 3.153 20 0 CGADMP Cc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c(C)c(C)[nH+]1 ZINC001158270421 805934027 /nfs/dbraw/zinc/93/40/27/805934027.db2.gz CYWYXUBBHAETIW-YOEHRIQHSA-N 2 1 290.455 3.357 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CCC[C@](C)(C[NH3+])C3)c12 ZINC001158684576 805985812 /nfs/dbraw/zinc/98/58/12/805985812.db2.gz QXJAJKTXJHPAPL-QGZVFWFLSA-N 2 1 269.392 3.108 20 0 CGADMP Cc1c[nH+]c(Nc2ccc3c(c2)CC[NH2+]C3)c(C)c1 ZINC001159234180 806063207 /nfs/dbraw/zinc/06/32/07/806063207.db2.gz HNMBBBWZUXSOGE-UHFFFAOYSA-N 2 1 253.349 3.088 20 0 CGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NCC[C@@H](C)[NH3+])nc1 ZINC001159779283 806171777 /nfs/dbraw/zinc/17/17/77/806171777.db2.gz DOXHOQZSJPAAGE-ZBFHGGJFSA-N 2 1 290.455 3.168 20 0 CGADMP CCCCC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001253546801 806247317 /nfs/dbraw/zinc/24/73/17/806247317.db2.gz AGDRIEXKEFTTNQ-ZWKOTPCHSA-N 2 1 292.467 3.210 20 0 CGADMP C[N@H+]1CCC[C@@H](N(CC[NH3+])c2cccc3ccccc32)CC1 ZINC001254498308 806419370 /nfs/dbraw/zinc/41/93/70/806419370.db2.gz VHIGPYVYFPEFMP-QGZVFWFLSA-N 2 1 297.446 3.089 20 0 CGADMP Cc1ccc2c(C[C@H](C)[NH3+])cn([C@@H]3CCC[N@@H+](C)CC3)c2c1 ZINC001254506840 806427599 /nfs/dbraw/zinc/42/75/99/806427599.db2.gz BCUXZZGOBDNPPX-DOTOQJQBSA-N 2 1 299.462 3.496 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC001254507574 806428311 /nfs/dbraw/zinc/42/83/11/806428311.db2.gz CJOPVQDBJKSPGC-CXAGYDPISA-N 2 1 276.399 3.277 20 0 CGADMP CC(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254507330 806428765 /nfs/dbraw/zinc/42/87/65/806428765.db2.gz LFMNLYQDJRLSJD-GUYCJALGSA-N 2 1 274.408 3.024 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254509998 806430913 /nfs/dbraw/zinc/43/09/13/806430913.db2.gz LAPWZYKKMSRIGN-IAGOWNOFSA-N 2 1 276.399 3.351 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001254510982 806431091 /nfs/dbraw/zinc/43/10/91/806431091.db2.gz SQZDUPYZIXZZQD-QGZVFWFLSA-N 2 1 290.426 3.365 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3ccccc3F)CC2)CC1 ZINC001254513395 806432662 /nfs/dbraw/zinc/43/26/62/806432662.db2.gz YHPHGKAZZVNACQ-INIZCTEOSA-N 2 1 290.426 3.222 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254515837 806436438 /nfs/dbraw/zinc/43/64/38/806436438.db2.gz DWGHRTBHKUBPJI-QGZVFWFLSA-N 2 1 260.425 3.381 20 0 CGADMP CC(C)[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515837 806436441 /nfs/dbraw/zinc/43/64/41/806436441.db2.gz DWGHRTBHKUBPJI-QGZVFWFLSA-N 2 1 260.425 3.381 20 0 CGADMP CC(C)[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515837 806436443 /nfs/dbraw/zinc/43/64/43/806436443.db2.gz DWGHRTBHKUBPJI-QGZVFWFLSA-N 2 1 260.425 3.381 20 0 CGADMP C[C@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)Cc2ccccc21 ZINC001254516142 806436526 /nfs/dbraw/zinc/43/65/26/806436526.db2.gz IWSUNDKMWVMQGC-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)Cc2ccccc21 ZINC001254516142 806436532 /nfs/dbraw/zinc/43/65/32/806436532.db2.gz IWSUNDKMWVMQGC-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)Cc2ccccc21 ZINC001254516142 806436536 /nfs/dbraw/zinc/43/65/36/806436536.db2.gz IWSUNDKMWVMQGC-HOCLYGCPSA-N 2 1 258.409 3.090 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001254523605 806440750 /nfs/dbraw/zinc/44/07/50/806440750.db2.gz PWKBKWKXFTWLRD-INIZCTEOSA-N 2 1 290.426 3.489 20 0 CGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254530607 806445295 /nfs/dbraw/zinc/44/52/95/806445295.db2.gz ZJUXUPYPJYIALJ-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254530607 806445298 /nfs/dbraw/zinc/44/52/98/806445298.db2.gz ZJUXUPYPJYIALJ-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP COc1ccccc1C[C@@H](C)[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530607 806445300 /nfs/dbraw/zinc/44/53/00/806445300.db2.gz ZJUXUPYPJYIALJ-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH+](C)CC2)cc1C ZINC001254531892 806445363 /nfs/dbraw/zinc/44/53/63/806445363.db2.gz MQNROZBMDBOHOZ-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CCC[N@H+](C)CC2)cc1C ZINC001254531892 806445366 /nfs/dbraw/zinc/44/53/66/806445366.db2.gz MQNROZBMDBOHOZ-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CCC[N@@H+](C)CC2)cc1C ZINC001254531892 806445368 /nfs/dbraw/zinc/44/53/68/806445368.db2.gz MQNROZBMDBOHOZ-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP CC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388304 806630497 /nfs/dbraw/zinc/63/04/97/806630497.db2.gz YGPZGHOQZOFWSM-WBVHZDCISA-N 2 1 260.425 3.429 20 0 CGADMP C[N@H+]1CCC[C@H](n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)C1 ZINC001255489538 806650600 /nfs/dbraw/zinc/65/06/00/806650600.db2.gz OWXMOLHGDUNKID-HOCLYGCPSA-N 2 1 298.434 3.118 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC001255533231 806665808 /nfs/dbraw/zinc/66/58/08/806665808.db2.gz XQBKZVCSIZWMGV-DOTOQJQBSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H]([NH3+])c1ccc2c(ccn2-c2cccn3c[nH+]cc23)c1 ZINC001162907718 806683470 /nfs/dbraw/zinc/68/34/70/806683470.db2.gz GFXOLYPBKIIDOY-LBPRGKRZSA-N 2 1 276.343 3.298 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083453922 798939397 /nfs/dbraw/zinc/93/93/97/798939397.db2.gz WNNUOAVQSVMWRN-LLVKDONJSA-N 2 1 295.477 3.301 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255675768 806702157 /nfs/dbraw/zinc/70/21/57/806702157.db2.gz HHMDTMHXCUHGKM-MLQJFRMTSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255675768 806702162 /nfs/dbraw/zinc/70/21/62/806702162.db2.gz HHMDTMHXCUHGKM-MLQJFRMTSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255690345 806707031 /nfs/dbraw/zinc/70/70/31/806707031.db2.gz UPFJAJQVQBPJNT-RYUDHWBXSA-N 2 1 266.351 3.167 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001255728362 806722825 /nfs/dbraw/zinc/72/28/25/806722825.db2.gz RPRWHXMFPOTQIK-UONOGXRCSA-N 2 1 296.455 3.238 20 0 CGADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001255727456 806722874 /nfs/dbraw/zinc/72/28/74/806722874.db2.gz DZGQQDBIXQGTSZ-ZFWWWQNUSA-N 2 1 296.455 3.380 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001255748632 806734124 /nfs/dbraw/zinc/73/41/24/806734124.db2.gz DIPCWDFGOABHOQ-GJZGRUSLSA-N 2 1 278.465 3.017 20 0 CGADMP Cc1[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc2[nH]ccc21 ZINC001163365685 806749147 /nfs/dbraw/zinc/74/91/47/806749147.db2.gz MHNCFBLZHIRSRL-WFASDCNBSA-N 2 1 286.423 3.402 20 0 CGADMP C[C@H]1C[C@H](NC(=[NH2+])C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000397960979 799524596 /nfs/dbraw/zinc/52/45/96/799524596.db2.gz FAGFYVWROBOAIB-ZFWWWQNUSA-N 2 1 273.424 3.262 20 0 CGADMP C[C@H]1C[C@H](NC(=[NH2+])C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000397960979 799524600 /nfs/dbraw/zinc/52/46/00/799524600.db2.gz FAGFYVWROBOAIB-ZFWWWQNUSA-N 2 1 273.424 3.262 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000401475528 799555723 /nfs/dbraw/zinc/55/57/23/799555723.db2.gz LGLCJHDOXMGOFE-ARFHVFGLSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(C)c1 ZINC000403293571 799565320 /nfs/dbraw/zinc/56/53/20/799565320.db2.gz JWJLGEUVDXJVDS-CQSZACIVSA-N 2 1 282.378 3.028 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cncc3ccccc32)[C@@H]1CC[NH3+] ZINC000404293541 799576103 /nfs/dbraw/zinc/57/61/03/799576103.db2.gz WFCKXLREELQQFO-RDTXWAMCSA-N 2 1 283.419 3.184 20 0 CGADMP CO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000453069222 799631228 /nfs/dbraw/zinc/63/12/28/799631228.db2.gz YZRNXOVQMFHYSO-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001255855478 806770338 /nfs/dbraw/zinc/77/03/38/806770338.db2.gz CGSFSQXGQYRAAV-OAHLLOKOSA-N 2 1 280.431 3.468 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001255855477 806770745 /nfs/dbraw/zinc/77/07/45/806770745.db2.gz CGSFSQXGQYRAAV-HNNXBMFYSA-N 2 1 280.431 3.468 20 0 CGADMP CCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CC1 ZINC000687961846 799740952 /nfs/dbraw/zinc/74/09/52/799740952.db2.gz JGYFSRNXDATPFJ-UHFFFAOYSA-N 2 1 264.438 3.016 20 0 CGADMP c1c(C[N@H+]2CCC[C@H]3CCC[C@H]32)sc2c1C[NH2+]CC2 ZINC000687987069 799743623 /nfs/dbraw/zinc/74/36/23/799743623.db2.gz KVNVSOREKWZNHY-IUODEOHRSA-N 2 1 276.449 3.158 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000700827423 799881596 /nfs/dbraw/zinc/88/15/96/799881596.db2.gz WFDXMXAVEPDDRC-OWCLPIDISA-N 2 1 252.446 3.277 20 0 CGADMP C1C[N@H+]([C@@H]2CCCC[NH2+]C2)C[C@H]1C1CCCCC1 ZINC000708832937 799995374 /nfs/dbraw/zinc/99/53/74/799995374.db2.gz UKESGGHZXSEAQJ-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC(C)(C)C1 ZINC000708844878 799996244 /nfs/dbraw/zinc/99/62/44/799996244.db2.gz OSJKIPMXQHZNPH-FZKCQIBNSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(-c2cccs2)on1 ZINC000710705355 800038564 /nfs/dbraw/zinc/03/85/64/800038564.db2.gz JFKXUTPTYJWUDC-UHFFFAOYSA-N 2 1 293.436 3.354 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@@](C)(F)C1 ZINC001255957630 806798667 /nfs/dbraw/zinc/79/86/67/806798667.db2.gz SZONPQLVAWEJEN-LSDHHAIUSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@@](C)(F)C1 ZINC001255957630 806798669 /nfs/dbraw/zinc/79/86/69/806798669.db2.gz SZONPQLVAWEJEN-LSDHHAIUSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@@](C)(F)C1 ZINC001255957629 806798758 /nfs/dbraw/zinc/79/87/58/806798758.db2.gz SZONPQLVAWEJEN-HUUCEWRRSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@@](C)(F)C1 ZINC001255957629 806798761 /nfs/dbraw/zinc/79/87/61/806798761.db2.gz SZONPQLVAWEJEN-HUUCEWRRSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2c(C)cccc2C1 ZINC001255956952 806798811 /nfs/dbraw/zinc/79/88/11/806798811.db2.gz NLMCRMLQKRUNJE-MRXNPFEDSA-N 2 1 274.452 3.474 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2c(C)cccc2C1 ZINC001255956952 806798815 /nfs/dbraw/zinc/79/88/15/806798815.db2.gz NLMCRMLQKRUNJE-MRXNPFEDSA-N 2 1 274.452 3.474 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001255962545 806799325 /nfs/dbraw/zinc/79/93/25/806799325.db2.gz WSFPSKYXYGWFJY-KRWDZBQOSA-N 3 1 297.531 3.159 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC001255958245 806799341 /nfs/dbraw/zinc/79/93/41/806799341.db2.gz ADQUJEDRKXEBIM-OAHLLOKOSA-N 2 1 278.440 3.247 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC001255958245 806799346 /nfs/dbraw/zinc/79/93/46/806799346.db2.gz ADQUJEDRKXEBIM-OAHLLOKOSA-N 2 1 278.440 3.247 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCc1cccc(F)c1 ZINC001255970856 806801783 /nfs/dbraw/zinc/80/17/83/806801783.db2.gz GMKSKTCTAWZGOE-HNNXBMFYSA-N 2 1 280.431 3.420 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C1CCC1)C1CCOCC1 ZINC001255969372 806802125 /nfs/dbraw/zinc/80/21/25/806802125.db2.gz YYPQSTZJPHWDCB-OAHLLOKOSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)C[NH2+]1 ZINC000714263989 800118235 /nfs/dbraw/zinc/11/82/35/800118235.db2.gz ZGHOLJVIQANDBL-RBGFHDKUSA-N 2 1 250.430 3.075 20 0 CGADMP OCCCCCCCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069349 806809377 /nfs/dbraw/zinc/80/93/77/806809377.db2.gz AWCBMIAMESPJKU-UHFFFAOYSA-N 2 1 296.499 3.316 20 0 CGADMP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712543 800179373 /nfs/dbraw/zinc/17/93/73/800179373.db2.gz MKFQNGJYXLSCTL-BZSNNMDCSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(C(F)(F)F)s1 ZINC000717904332 800207391 /nfs/dbraw/zinc/20/73/91/800207391.db2.gz FPTFJKLNYUMMMQ-SECBINFHSA-N 2 1 280.359 3.369 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256073679 806812262 /nfs/dbraw/zinc/81/22/62/806812262.db2.gz AAMASCQOPWJKEM-DLBZAZTESA-N 2 1 290.838 3.412 20 0 CGADMP C[C@H]1Cc2ccccc2C[N@H+]1C1CCN(C2CC2)CC1 ZINC001256081250 806816364 /nfs/dbraw/zinc/81/63/64/806816364.db2.gz VQIIAYPHFPBIRZ-AWEZNQCLSA-N 2 1 270.420 3.060 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900870 800344574 /nfs/dbraw/zinc/34/45/74/800344574.db2.gz DDAXLZXQCFGDFV-YRGRVCCFSA-N 2 1 266.816 3.318 20 0 CGADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892048048 800565817 /nfs/dbraw/zinc/56/58/17/800565817.db2.gz GNPNUOXTBYKZNB-ZDUSSCGKSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+]1CCC([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001256200334 806846891 /nfs/dbraw/zinc/84/68/91/806846891.db2.gz RCFVDMOWZXVMFE-UHFFFAOYSA-N 3 1 283.504 3.140 20 0 CGADMP C[NH+]1CCC([NH2+]C2(c3ccccc3)CCCC2)CC1 ZINC001256194697 806848169 /nfs/dbraw/zinc/84/81/69/806848169.db2.gz MNFGXPWYGLBTPW-UHFFFAOYSA-N 2 1 258.409 3.140 20 0 CGADMP CN1CCC([N@H+]2CC[C@H](c3ccccc3Cl)C2)CC1 ZINC001256207252 806850986 /nfs/dbraw/zinc/85/09/86/806850986.db2.gz FGHJDZHYTFTKHV-ZDUSSCGKSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC(N2CC[C@H](c3ccccc3Cl)C2)CC1 ZINC001256207252 806850991 /nfs/dbraw/zinc/85/09/91/806850991.db2.gz FGHJDZHYTFTKHV-ZDUSSCGKSA-N 2 1 278.827 3.224 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(n3ccc4ccccc43)CC2)CC1 ZINC001256211461 806851410 /nfs/dbraw/zinc/85/14/10/806851410.db2.gz XQSWABNZWFGBTH-UHFFFAOYSA-N 2 1 297.446 3.372 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001256568912 806917754 /nfs/dbraw/zinc/91/77/54/806917754.db2.gz KPPFKPBRPIORKX-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001256568912 806917756 /nfs/dbraw/zinc/91/77/56/806917756.db2.gz KPPFKPBRPIORKX-UHFFFAOYSA-N 2 1 272.436 3.308 20 0 CGADMP COc1ccc2cc[nH+]c(N3CCC[C@](C)(C[NH3+])CC3)c2c1 ZINC001164249050 806922253 /nfs/dbraw/zinc/92/22/53/806922253.db2.gz UPTAGVJVBSXARF-SFHVURJKSA-N 2 1 299.418 3.199 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC001116291235 802325541 /nfs/dbraw/zinc/32/55/41/802325541.db2.gz LPKKXHGQTNWEQI-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC001116488388 802364214 /nfs/dbraw/zinc/36/42/14/802364214.db2.gz RBIUTRYEXMLUSK-LSDHHAIUSA-N 2 1 252.446 3.418 20 0 CGADMP c1ccc(OCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001117946361 802513182 /nfs/dbraw/zinc/51/31/82/802513182.db2.gz XOVOLHKXNRTJNE-IRXDYDNUSA-N 2 1 288.435 3.062 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC001118018320 802518724 /nfs/dbraw/zinc/51/87/24/802518724.db2.gz GKZFTMVBAVWSJX-OAHLLOKOSA-N 2 1 298.430 3.450 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC001118121928 802526964 /nfs/dbraw/zinc/52/69/64/802526964.db2.gz KYOQZCABBTZIMR-SCVCMEIPSA-N 2 1 270.467 3.261 20 0 CGADMP Cn1c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc2ccccc21 ZINC001275413041 808935840 /nfs/dbraw/zinc/93/58/40/808935840.db2.gz FAAHTLIJZFNDBY-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP c1ccc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256895923 807000580 /nfs/dbraw/zinc/00/05/80/807000580.db2.gz DUNJZPHVFZQHFC-KRWDZBQOSA-N 2 1 272.436 3.226 20 0 CGADMP c1ccc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256895923 807000587 /nfs/dbraw/zinc/00/05/87/807000587.db2.gz DUNJZPHVFZQHFC-KRWDZBQOSA-N 2 1 272.436 3.226 20 0 CGADMP CCC1(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CCOCC1 ZINC001256907904 807007890 /nfs/dbraw/zinc/00/78/90/807007890.db2.gz HLPZKBRQDCXZLB-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP CCC1(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CCOCC1 ZINC001256907904 807007897 /nfs/dbraw/zinc/00/78/97/807007897.db2.gz HLPZKBRQDCXZLB-MRXNPFEDSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001206809952 813442895 /nfs/dbraw/zinc/44/28/95/813442895.db2.gz MPQBZTSJGHPSJN-DOTOQJQBSA-N 2 1 290.451 3.341 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@](C)(F)CC2)CCCC1 ZINC001208184126 813735502 /nfs/dbraw/zinc/73/55/02/813735502.db2.gz JPDUNWLDMMJJOK-HNNXBMFYSA-N 2 1 270.436 3.323 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136972807 803664724 /nfs/dbraw/zinc/66/47/24/803664724.db2.gz ADHHECNASGJZRM-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136972807 803664726 /nfs/dbraw/zinc/66/47/26/803664726.db2.gz ADHHECNASGJZRM-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)ccn1 ZINC001137416666 803731666 /nfs/dbraw/zinc/73/16/66/803731666.db2.gz LFJSYEATJZFHDM-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)ccn1 ZINC001137416666 803731670 /nfs/dbraw/zinc/73/16/70/803731670.db2.gz LFJSYEATJZFHDM-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccn1 ZINC001137416666 803731673 /nfs/dbraw/zinc/73/16/73/803731673.db2.gz LFJSYEATJZFHDM-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccn1 ZINC001137416666 803731675 /nfs/dbraw/zinc/73/16/75/803731675.db2.gz LFJSYEATJZFHDM-ROUUACIJSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001138118676 803860124 /nfs/dbraw/zinc/86/01/24/803860124.db2.gz PJPBYIFAXDBYLE-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP Cc1ccc(F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001138118676 803860132 /nfs/dbraw/zinc/86/01/32/803860132.db2.gz PJPBYIFAXDBYLE-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)s1 ZINC001138754209 804030783 /nfs/dbraw/zinc/03/07/83/804030783.db2.gz BFQKHCYWQCMCBC-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)s1 ZINC001138754209 804030791 /nfs/dbraw/zinc/03/07/91/804030791.db2.gz BFQKHCYWQCMCBC-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)s1 ZINC001138754209 804030800 /nfs/dbraw/zinc/03/08/00/804030800.db2.gz BFQKHCYWQCMCBC-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCCCc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)s1 ZINC001138754209 804030809 /nfs/dbraw/zinc/03/08/09/804030809.db2.gz BFQKHCYWQCMCBC-OKILXGFUSA-N 2 1 278.465 3.084 20 0 CGADMP CCCC[C@@H](O)C[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246063765 804106506 /nfs/dbraw/zinc/10/65/06/804106506.db2.gz CCUGSQMKCNQQJE-DJIMGWMZSA-N 2 1 284.488 3.298 20 0 CGADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246075508 804113515 /nfs/dbraw/zinc/11/35/15/804113515.db2.gz UWVVOXFCGMNRBD-CVEARBPZSA-N 2 1 282.378 3.365 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246076098 804114847 /nfs/dbraw/zinc/11/48/47/804114847.db2.gz WEZYRYKFLZBYEF-MUJYYYPQSA-N 2 1 282.378 3.364 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@H]2C1 ZINC001139063867 804121063 /nfs/dbraw/zinc/12/10/63/804121063.db2.gz BCMUQAOLXPNUBU-HZPDHXFCSA-N 2 1 284.403 3.206 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106271 804138992 /nfs/dbraw/zinc/13/89/92/804138992.db2.gz PBGQUKQZIKVGET-VNHYZAJKSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106251 804139107 /nfs/dbraw/zinc/13/91/07/804139107.db2.gz OSLISGIHBLCSAH-DVOMOZLQSA-N 2 1 280.843 3.249 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC001246117582 804149450 /nfs/dbraw/zinc/14/94/50/804149450.db2.gz QVUCTUWLZWTMOF-ZYHUDNBSSA-N 2 1 287.234 3.266 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC001246128226 804154510 /nfs/dbraw/zinc/15/45/10/804154510.db2.gz ACEZJRTZVNKACQ-BHYGNILZSA-N 2 1 290.476 3.350 20 0 CGADMP CCCCC[C@H](CC)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160429 804177193 /nfs/dbraw/zinc/17/71/93/804177193.db2.gz MWCSVMQGFZQRJG-YESZJQIVSA-N 2 1 282.472 3.236 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)C[NH2+]1 ZINC001246163277 804180555 /nfs/dbraw/zinc/18/05/55/804180555.db2.gz LOBOKNKCGVPNJG-KXBFYZLASA-N 2 1 280.415 3.236 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(N)c1 ZINC001246175646 804190687 /nfs/dbraw/zinc/19/06/87/804190687.db2.gz LZMHDMVYQYRYMT-KYNGSXCRSA-N 2 1 295.430 3.413 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246177290 804191044 /nfs/dbraw/zinc/19/10/44/804191044.db2.gz MNOSQJUFZRVDLL-SWLSCSKDSA-N 2 1 266.816 3.003 20 0 CGADMP C[C@]1([NH2+]C2CCC3(CCCC3)CC2)CCC[NH2+]C1 ZINC001246189482 804198698 /nfs/dbraw/zinc/19/86/98/804198698.db2.gz MYRXQPMMOSQFGZ-HNNXBMFYSA-N 2 1 250.430 3.221 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246191325 804199825 /nfs/dbraw/zinc/19/98/25/804199825.db2.gz VTQMVXWKWRPZDZ-MSOLQXFVSA-N 2 1 274.452 3.376 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246210172 804209131 /nfs/dbraw/zinc/20/91/31/804209131.db2.gz CJRTXZYJYJFSKA-ROUUACIJSA-N 3 1 297.531 3.399 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246238551 804229839 /nfs/dbraw/zinc/22/98/39/804229839.db2.gz PTSGWQDTRMJNTK-HUUCEWRRSA-N 2 1 278.827 3.449 20 0 CGADMP CCCCCC(CCCCC)[NH2+]C[C@@H]([NH3+])COC ZINC001246240442 804232437 /nfs/dbraw/zinc/23/24/37/804232437.db2.gz NEBFBASIQMDLAE-CQSZACIVSA-N 2 1 258.450 3.079 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139639785 804239549 /nfs/dbraw/zinc/23/95/49/804239549.db2.gz JUEAYTBASIWUNH-UHFFFAOYSA-N 2 1 295.430 3.275 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)C[NH2+]1 ZINC001246258672 804242331 /nfs/dbraw/zinc/24/23/31/804242331.db2.gz LMXJICAFPFSWBN-WFASDCNBSA-N 2 1 266.816 3.003 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)c(Cl)c1 ZINC001246261386 804242497 /nfs/dbraw/zinc/24/24/97/804242497.db2.gz CYUVQIOWHOTISP-CYBMUJFWSA-N 2 1 266.816 3.269 20 0 CGADMP CC1(C)CCC[C@@H]([NH2+][C@@H](C[NH3+])Cc2ccccc2)C1 ZINC001246263430 804243635 /nfs/dbraw/zinc/24/36/35/804243635.db2.gz DPZKBZMVKQUXRM-HZPDHXFCSA-N 2 1 260.425 3.115 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)c(Cl)c1 ZINC001246262131 804243747 /nfs/dbraw/zinc/24/37/47/804243747.db2.gz HURHMBAYUQTOFE-VXGBXAGGSA-N 2 1 266.816 3.267 20 0 CGADMP CCNCC[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246273504 804249916 /nfs/dbraw/zinc/24/99/16/804249916.db2.gz JOHYOYHYGIQGRV-SNVBAGLBSA-N 2 1 290.785 3.138 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246273504 804249923 /nfs/dbraw/zinc/24/99/23/804249923.db2.gz JOHYOYHYGIQGRV-SNVBAGLBSA-N 2 1 290.785 3.138 20 0 CGADMP CCCCC(=O)[C@H](C)[NH2+]C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246272950 804250327 /nfs/dbraw/zinc/25/03/27/804250327.db2.gz MZYSRYNVZSYQHF-IHRRRGAJSA-N 2 1 268.445 3.033 20 0 CGADMP OCCCCCCCCCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246274661 804251475 /nfs/dbraw/zinc/25/14/75/804251475.db2.gz YYRUPFKPVSOHHD-QGZVFWFLSA-N 2 1 284.488 3.221 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1(C[NH3+])CCCC1 ZINC001246289657 804261289 /nfs/dbraw/zinc/26/12/89/804261289.db2.gz UKEPHKYUWQLBRI-GFCCVEGCSA-N 2 1 266.816 3.132 20 0 CGADMP CC/C=C/[NH2+][C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246301125 804268283 /nfs/dbraw/zinc/26/82/83/804268283.db2.gz VMQFMBHERHVBLL-YIWFVGIGSA-N 2 1 262.372 3.441 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@H](C)CC(C)(C)SCc1ccco1 ZINC001246318018 804277715 /nfs/dbraw/zinc/27/77/15/804277715.db2.gz OSLNFJIMEOVTNH-OLZOCXBDSA-N 2 1 284.469 3.397 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246320573 804279285 /nfs/dbraw/zinc/27/92/85/804279285.db2.gz YRQDGZJDKPPONZ-CMPLNLGQSA-N 2 1 272.845 3.148 20 0 CGADMP CCCC1CCC([NH2+][C@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246323532 804281254 /nfs/dbraw/zinc/28/12/54/804281254.db2.gz BAKOZQQRPPBWLM-NRXISQOPSA-N 2 1 252.446 3.323 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246329453 804283896 /nfs/dbraw/zinc/28/38/96/804283896.db2.gz QMVPUPXJRRUZJD-BFYDXBDKSA-N 2 1 260.425 3.046 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246329430 804283918 /nfs/dbraw/zinc/28/39/18/804283918.db2.gz PYKZQALPPLGITM-YWPYICTPSA-N 2 1 266.816 3.001 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246341852 804294865 /nfs/dbraw/zinc/29/48/65/804294865.db2.gz COHSPZLDBZUAOA-RHSMWYFYSA-N 2 1 260.425 3.083 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccncc2Cl)CC1 ZINC001139846242 804298970 /nfs/dbraw/zinc/29/89/70/804298970.db2.gz LEXWEGACLFSGOE-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246357979 804303327 /nfs/dbraw/zinc/30/33/27/804303327.db2.gz BQMBHNLMLQXLSQ-MXASKKJJSA-N 2 1 258.409 3.053 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(F)c2ccccc12 ZINC001139888988 804315303 /nfs/dbraw/zinc/31/53/03/804315303.db2.gz UAPYDAGCAREBRS-UHFFFAOYSA-N 2 1 274.383 3.362 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246407032 804323347 /nfs/dbraw/zinc/32/33/47/804323347.db2.gz SKORCHSCFHBRAV-LAQRGFTBSA-N 2 1 293.499 3.032 20 0 CGADMP CC(C)P(CC[NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC001246470860 804348216 /nfs/dbraw/zinc/34/82/16/804348216.db2.gz SDSURVBKKKWMSG-KBPBESRZSA-N 2 1 258.390 3.015 20 0 CGADMP CC[C@H](CC(C)C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246484967 804355307 /nfs/dbraw/zinc/35/53/07/804355307.db2.gz GBICABOAJZQBKU-QWHCGFSZSA-N 2 1 262.388 3.036 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246484598 804355477 /nfs/dbraw/zinc/35/54/77/804355477.db2.gz XZYFTAUVLJRXTG-HOCLYGCPSA-N 2 1 296.405 3.151 20 0 CGADMP CC[C@H](CC(C)C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246484965 804356512 /nfs/dbraw/zinc/35/65/12/804356512.db2.gz GBICABOAJZQBKU-CHWSQXEVSA-N 2 1 262.388 3.036 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC2(CCCC2)CC1 ZINC001246504684 804365789 /nfs/dbraw/zinc/36/57/89/804365789.db2.gz RCIUOBSPGUNLRW-HNNXBMFYSA-N 2 1 252.446 3.452 20 0 CGADMP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246529726 804379944 /nfs/dbraw/zinc/37/99/44/804379944.db2.gz UHBNQCGTOIVDJZ-IAGOWNOFSA-N 2 1 276.399 3.180 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246528749 804381474 /nfs/dbraw/zinc/38/14/74/804381474.db2.gz HVSORFLFZYJCCI-CJNGLKHVSA-N 2 1 296.480 3.493 20 0 CGADMP CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246533580 804382534 /nfs/dbraw/zinc/38/25/34/804382534.db2.gz VSOJGCWYBRFNDD-CVEARBPZSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC001246540499 804389613 /nfs/dbraw/zinc/38/96/13/804389613.db2.gz AZJAMLLOOSDVBY-IMJJTQAJSA-N 2 1 258.409 3.136 20 0 CGADMP CC[C@@H]1CC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@@H](CC)[NH2+]1 ZINC001246542064 804389827 /nfs/dbraw/zinc/38/98/27/804389827.db2.gz VETACSKWZJWNSX-MUIFIZLQSA-N 2 1 292.467 3.129 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)C[C@@H](CC)[NH2+]1 ZINC001246542064 804389835 /nfs/dbraw/zinc/38/98/35/804389835.db2.gz VETACSKWZJWNSX-MUIFIZLQSA-N 2 1 292.467 3.129 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246545022 804393253 /nfs/dbraw/zinc/39/32/53/804393253.db2.gz GJAGETOHJSUBDI-KRWDZBQOSA-N 2 1 270.420 3.028 20 0 CGADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246544797 804393968 /nfs/dbraw/zinc/39/39/68/804393968.db2.gz ZEUKZMBQCVQKSW-UONOGXRCSA-N 2 1 278.827 3.011 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001246551300 804400816 /nfs/dbraw/zinc/40/08/16/804400816.db2.gz PNQHVVNVQRVUOO-STQMWFEESA-N 2 1 298.833 3.342 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001246551300 804400819 /nfs/dbraw/zinc/40/08/19/804400819.db2.gz PNQHVVNVQRVUOO-STQMWFEESA-N 2 1 298.833 3.342 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@](C)([NH3+])CC1)C2 ZINC001246553058 804401996 /nfs/dbraw/zinc/40/19/96/804401996.db2.gz QTCCBKIMHWNFGH-AEFFLSMTSA-N 2 1 272.436 3.056 20 0 CGADMP [NH3+]C[C@]1(F)CCC[N@H+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001246552929 804402259 /nfs/dbraw/zinc/40/22/59/804402259.db2.gz WFTVWYOZRNCKRF-BPCQOVAHSA-N 2 1 296.352 3.260 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246552649 804402686 /nfs/dbraw/zinc/40/26/86/804402686.db2.gz QTQSEDJOYJVCMX-YRGRVCCFSA-N 2 1 298.833 3.327 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552976 804402817 /nfs/dbraw/zinc/40/28/17/804402817.db2.gz QLCDPZNAYYFKAK-IAGOWNOFSA-N 2 1 260.425 3.211 20 0 CGADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@](C)([NH3+])CC1)C2 ZINC001246553081 804403104 /nfs/dbraw/zinc/40/31/04/804403104.db2.gz QTCCBKIMHWNFGH-SJLPKXTDSA-N 2 1 272.436 3.056 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001246556525 804405878 /nfs/dbraw/zinc/40/58/78/804405878.db2.gz HNRHVVSAWXKEAQ-CRAIPNDOSA-N 2 1 292.442 3.333 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555466 804405902 /nfs/dbraw/zinc/40/59/02/804405902.db2.gz GTFLQKPCVFFXRZ-QWHCGFSZSA-N 2 1 260.372 3.037 20 0 CGADMP C[C@@H]1CC[N@H+](C2CC(C)(C)OC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246558136 804405978 /nfs/dbraw/zinc/40/59/78/804405978.db2.gz MEFJBUDRHBAHEX-KGLIPLIRSA-N 2 1 282.472 3.029 20 0 CGADMP c1ccc([C@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246556133 804406003 /nfs/dbraw/zinc/40/60/03/804406003.db2.gz IBPAAGWRQHCRCJ-VIQWUECVSA-N 2 1 284.447 3.398 20 0 CGADMP C[C@H]1CC[N@H+](C2CCc3ccccc3CC2)CC[C@@H]1C[NH3+] ZINC001246556561 804406158 /nfs/dbraw/zinc/40/61/58/804406158.db2.gz HVRCTAMOEQQETN-MAUKXSAKSA-N 2 1 286.463 3.241 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557016 804406324 /nfs/dbraw/zinc/40/63/24/804406324.db2.gz KJJUMQZQFQSWAX-OLZOCXBDSA-N 2 1 262.388 3.261 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557019 804406585 /nfs/dbraw/zinc/40/65/85/804406585.db2.gz KJJUMQZQFQSWAX-STQMWFEESA-N 2 1 262.388 3.261 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246561917 804409687 /nfs/dbraw/zinc/40/96/87/804409687.db2.gz HEHYAXYKTMCUIP-SNPRPXQTSA-N 2 1 292.854 3.257 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001246560538 804410446 /nfs/dbraw/zinc/41/04/46/804410446.db2.gz VMNBQPSSVTZQDR-GDBMZVCRSA-N 2 1 296.405 3.232 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC[C@H](F)CC2)C[C@@H](CC)[NH2+]1 ZINC001246561572 804410458 /nfs/dbraw/zinc/41/04/58/804410458.db2.gz WJXGBYHECFERCG-BFHYXJOUSA-N 2 1 256.409 3.120 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246562894 804412148 /nfs/dbraw/zinc/41/21/48/804412148.db2.gz ICNBALKXHZMYBC-NFAWXSAZSA-N 2 1 280.843 3.330 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246575902 804422122 /nfs/dbraw/zinc/42/21/22/804422122.db2.gz XYUNOJMVTZRJFA-VDHUWJSZSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246575902 804422124 /nfs/dbraw/zinc/42/21/24/804422124.db2.gz XYUNOJMVTZRJFA-VDHUWJSZSA-N 2 1 290.426 3.030 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246580331 804425487 /nfs/dbraw/zinc/42/54/87/804425487.db2.gz DBAFZXHOBMZLOT-KKUMJFAQSA-N 2 1 258.425 3.497 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246580331 804425491 /nfs/dbraw/zinc/42/54/91/804425491.db2.gz DBAFZXHOBMZLOT-KKUMJFAQSA-N 2 1 258.425 3.497 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246584852 804427914 /nfs/dbraw/zinc/42/79/14/804427914.db2.gz VPNIUDZHLNBKMZ-ZWKOTPCHSA-N 2 1 274.452 3.459 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(c3ccccc3)CC2)CC[C@H]1F ZINC001246585437 804430143 /nfs/dbraw/zinc/43/01/43/804430143.db2.gz KNYYWYLCKKLAPA-OPQOLIRYSA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C2CCC(c3ccccc3)CC2)CC[C@H]1F ZINC001246585437 804430150 /nfs/dbraw/zinc/43/01/50/804430150.db2.gz KNYYWYLCKKLAPA-OPQOLIRYSA-N 2 1 290.426 3.474 20 0 CGADMP C[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246589434 804431294 /nfs/dbraw/zinc/43/12/94/804431294.db2.gz FFYGDXBDTLNJQV-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246591203 804433098 /nfs/dbraw/zinc/43/30/98/804433098.db2.gz MVEBIYSEVWHULG-XNJGSVPQSA-N 2 1 292.854 3.257 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246593339 804434729 /nfs/dbraw/zinc/43/47/29/804434729.db2.gz MECBADNIJMQYQF-IKGGRYGDSA-N 2 1 284.488 3.433 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246600257 804438856 /nfs/dbraw/zinc/43/88/56/804438856.db2.gz DOZUUJQCTYWJLC-LPHOPBHVSA-N 2 1 286.463 3.256 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C1 ZINC001246603645 804439976 /nfs/dbraw/zinc/43/99/76/804439976.db2.gz FKAZDYOQWJLIGQ-PMPSAXMXSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C[C@@H](C)C1 ZINC001246605491 804441339 /nfs/dbraw/zinc/44/13/39/804441339.db2.gz KGFZODVVTMLBHK-HZMVEIRTSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C[C@H]1C ZINC001246608201 804443727 /nfs/dbraw/zinc/44/37/27/804443727.db2.gz IIFIPXMABORXHV-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246611516 804445044 /nfs/dbraw/zinc/44/50/44/804445044.db2.gz GNNWBBNFJNXGCI-MSOLQXFVSA-N 3 1 295.515 3.105 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246611516 804445046 /nfs/dbraw/zinc/44/50/46/804445046.db2.gz GNNWBBNFJNXGCI-MSOLQXFVSA-N 3 1 295.515 3.105 20 0 CGADMP C1[C@@H]2C[C@H]([N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)C[C@H]12 ZINC001246612456 804447294 /nfs/dbraw/zinc/44/72/94/804447294.db2.gz WILJDBAZYPSXKT-HZMVEIRTSA-N 2 1 262.441 3.031 20 0 CGADMP C1C[C@@]2(CCC[N@@H+](C3CCC4(CCCC4)CC3)C2)[NH2+]1 ZINC001246614925 804448321 /nfs/dbraw/zinc/44/83/21/804448321.db2.gz VVMWNUIGFYVLSL-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP C1C[C@@]2(CCC[N@H+](C3CCC4(CCCC4)CC3)C2)[NH2+]1 ZINC001246614925 804448326 /nfs/dbraw/zinc/44/83/26/804448326.db2.gz VVMWNUIGFYVLSL-QGZVFWFLSA-N 2 1 262.441 3.317 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246618188 804452490 /nfs/dbraw/zinc/45/24/90/804452490.db2.gz JGGLKDMUMKEPQQ-RTBURBONSA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246618188 804452491 /nfs/dbraw/zinc/45/24/91/804452491.db2.gz JGGLKDMUMKEPQQ-RTBURBONSA-N 2 1 284.447 3.070 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246623739 804455055 /nfs/dbraw/zinc/45/50/55/804455055.db2.gz KRFRKJFYBYGGTA-HPZPOOBXSA-N 2 1 264.457 3.277 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246623515 804455091 /nfs/dbraw/zinc/45/50/91/804455091.db2.gz AINFJMCMIPTFNK-GPANFISMSA-N 2 1 250.430 3.031 20 0 CGADMP c1ccc([C@@H]2C[N@H+](C3CCC4(CC4)CC3)CC23C[NH2+]C3)cc1 ZINC001246622903 804455481 /nfs/dbraw/zinc/45/54/81/804455481.db2.gz KLRZXDDAAAOZOU-SFHVURJKSA-N 2 1 296.458 3.398 20 0 CGADMP CC(C)=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246623339 804455911 /nfs/dbraw/zinc/45/59/11/804455911.db2.gz SFPQBRBJTWTDLJ-HOTGVXAUSA-N 2 1 250.430 3.339 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246623339 804455916 /nfs/dbraw/zinc/45/59/16/804455916.db2.gz SFPQBRBJTWTDLJ-HOTGVXAUSA-N 2 1 250.430 3.339 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)C[C@H]1C ZINC001246622649 804456119 /nfs/dbraw/zinc/45/61/19/804456119.db2.gz RPVVMJYVKPUOSM-WCVJEAGWSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246624989 804457597 /nfs/dbraw/zinc/45/75/97/804457597.db2.gz DXJUGLKERGKESP-SQNIBIBYSA-N 2 1 272.436 3.224 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246624989 804457599 /nfs/dbraw/zinc/45/75/99/804457599.db2.gz DXJUGLKERGKESP-SQNIBIBYSA-N 2 1 272.436 3.224 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246628162 804459230 /nfs/dbraw/zinc/45/92/30/804459230.db2.gz BBMHQXBNYDPAOD-UHFFFAOYSA-N 2 1 264.457 3.277 20 0 CGADMP CCCCC[C@H](CC)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246630442 804460712 /nfs/dbraw/zinc/46/07/12/804460712.db2.gz PCUGXRGBHSDAEK-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246630140 804461075 /nfs/dbraw/zinc/46/10/75/804461075.db2.gz HHQPULSDABDOKV-GDBMZVCRSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246632461 804462406 /nfs/dbraw/zinc/46/24/06/804462406.db2.gz VNLIEXWHOVOGJB-JCYILVPMSA-N 2 1 264.457 3.421 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632205 804462912 /nfs/dbraw/zinc/46/29/12/804462912.db2.gz UYLGOAUAKZLBHY-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246633969 804464197 /nfs/dbraw/zinc/46/41/97/804464197.db2.gz YWZCWMUPQLBRFC-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246636638 804465718 /nfs/dbraw/zinc/46/57/18/804465718.db2.gz DFHRDHGFQHBHIJ-HNNXBMFYSA-N 2 1 252.446 3.277 20 0 CGADMP CCC1CCC([N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)CC1 ZINC001246639805 804467703 /nfs/dbraw/zinc/46/77/03/804467703.db2.gz RECNEPMZRVWLIZ-NRXISQOPSA-N 2 1 286.410 3.276 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246638394 804468008 /nfs/dbraw/zinc/46/80/08/804468008.db2.gz LESOKARMTVHRPS-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001246642072 804469058 /nfs/dbraw/zinc/46/90/58/804469058.db2.gz AYHGXRXIWDFTSA-INIZCTEOSA-N 2 1 286.463 3.398 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001246647291 804475877 /nfs/dbraw/zinc/47/58/77/804475877.db2.gz REVWNQGTDSIGEO-RTRUNKLESA-N 2 1 296.458 3.249 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2C1CCC2(CCCCC2)CC1 ZINC001246647750 804475893 /nfs/dbraw/zinc/47/58/93/804475893.db2.gz VKOJPHHLDFXXLW-UHFFFAOYSA-N 2 1 262.441 3.303 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCCC[C@@]23CCC[NH2+]C3)C1 ZINC001246652456 804478782 /nfs/dbraw/zinc/47/87/82/804478782.db2.gz PELOPWLPTOUKGK-HOCLYGCPSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246653240 804479259 /nfs/dbraw/zinc/47/92/59/804479259.db2.gz RPUCEKPQAZTAGM-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246653240 804479263 /nfs/dbraw/zinc/47/92/63/804479263.db2.gz RPUCEKPQAZTAGM-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246656953 804482311 /nfs/dbraw/zinc/48/23/11/804482311.db2.gz PMQPNNZBGPGAKQ-FPCVCCKLSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC[NH2+]1 ZINC001246656953 804482314 /nfs/dbraw/zinc/48/23/14/804482314.db2.gz PMQPNNZBGPGAKQ-FPCVCCKLSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246657736 804482374 /nfs/dbraw/zinc/48/23/74/804482374.db2.gz IALRQPQCXFVYMM-PVXIVEMSSA-N 2 1 296.817 3.094 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246657736 804482379 /nfs/dbraw/zinc/48/23/79/804482379.db2.gz IALRQPQCXFVYMM-PVXIVEMSSA-N 2 1 296.817 3.094 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246660852 804483432 /nfs/dbraw/zinc/48/34/32/804483432.db2.gz PHPJQYUFXAXLRR-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246660852 804483436 /nfs/dbraw/zinc/48/34/36/804483436.db2.gz PHPJQYUFXAXLRR-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660453 804483488 /nfs/dbraw/zinc/48/34/88/804483488.db2.gz UGRKFDSBGJDEFN-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246660453 804483492 /nfs/dbraw/zinc/48/34/92/804483492.db2.gz UGRKFDSBGJDEFN-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246669529 804488003 /nfs/dbraw/zinc/48/80/03/804488003.db2.gz BDWSGVXNZYQRQF-KURKYZTESA-N 2 1 272.436 3.082 20 0 CGADMP c1ccc(C2CCC([N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246671745 804489532 /nfs/dbraw/zinc/48/95/32/804489532.db2.gz HQUHOAUHKGWPKZ-IKJBURDNSA-N 2 1 270.420 3.007 20 0 CGADMP CCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246676301 804491270 /nfs/dbraw/zinc/49/12/70/804491270.db2.gz ZAAPOKMMEJYZER-WDSOQIARSA-N 2 1 286.463 3.428 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246677583 804491616 /nfs/dbraw/zinc/49/16/16/804491616.db2.gz JTGRWCXWDIAVIX-KSZLIROESA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@H](C3C[NH2+]C3)C2)CC1 ZINC001246678263 804493041 /nfs/dbraw/zinc/49/30/41/804493041.db2.gz LEKUUGJDHBPKLC-IUDNXUCKSA-N 2 1 264.457 3.133 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246690944 804497937 /nfs/dbraw/zinc/49/79/37/804497937.db2.gz OKCHEFRSBLWXJG-ITGUQSILSA-N 2 1 299.245 3.423 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001246773666 804504500 /nfs/dbraw/zinc/50/45/00/804504500.db2.gz BDMMAVOJWVSGMF-QWHCGFSZSA-N 2 1 298.883 3.491 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246771263 804504916 /nfs/dbraw/zinc/50/49/16/804504916.db2.gz XTXQOAHHGUCOKF-FVQHAEBGSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246771263 804504921 /nfs/dbraw/zinc/50/49/21/804504921.db2.gz XTXQOAHHGUCOKF-FVQHAEBGSA-N 2 1 290.451 3.436 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC001246775947 804505733 /nfs/dbraw/zinc/50/57/33/804505733.db2.gz LIOQJRHBIHANGP-HUUCEWRRSA-N 2 1 278.465 3.146 20 0 CGADMP CC1(C)CC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246782461 804507688 /nfs/dbraw/zinc/50/76/88/804507688.db2.gz KMYHSQOVNNTQPH-HZPDHXFCSA-N 2 1 258.409 3.212 20 0 CGADMP CC1(C)CC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246782461 804507693 /nfs/dbraw/zinc/50/76/93/804507693.db2.gz KMYHSQOVNNTQPH-HZPDHXFCSA-N 2 1 258.409 3.212 20 0 CGADMP Clc1ccc([C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cc1 ZINC001246786676 804512172 /nfs/dbraw/zinc/51/21/72/804512172.db2.gz NDFIOYUAGDSCPM-OAHLLOKOSA-N 2 1 264.800 3.229 20 0 CGADMP Clc1ccc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC001246786676 804512174 /nfs/dbraw/zinc/51/21/74/804512174.db2.gz NDFIOYUAGDSCPM-OAHLLOKOSA-N 2 1 264.800 3.229 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246790448 804512734 /nfs/dbraw/zinc/51/27/34/804512734.db2.gz GBGHCQYQEYUVFV-SLFFLAALSA-N 2 1 298.474 3.473 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC001246791248 804514773 /nfs/dbraw/zinc/51/47/73/804514773.db2.gz OCCOLRBCSJIYFJ-DOMZBBRYSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001246791248 804514778 /nfs/dbraw/zinc/51/47/78/804514778.db2.gz OCCOLRBCSJIYFJ-DOMZBBRYSA-N 2 1 266.816 3.475 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246791299 804515800 /nfs/dbraw/zinc/51/58/00/804515800.db2.gz OGSAENCYOMDYJX-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246792928 804515869 /nfs/dbraw/zinc/51/58/69/804515869.db2.gz SLILVPNCHOGMKB-KURKYZTESA-N 2 1 272.436 3.082 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+](CC)C2CC[NH2+]CC2)cc1 ZINC001246795490 804517197 /nfs/dbraw/zinc/51/71/97/804517197.db2.gz BVGILXWJWUPBSU-HNNXBMFYSA-N 2 1 274.452 3.254 20 0 CGADMP c1ccc(C[C@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001246793300 804517425 /nfs/dbraw/zinc/51/74/25/804517425.db2.gz UTHLAUWJWSTREX-MOPGFXCFSA-N 2 1 298.474 3.473 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001246796170 804519665 /nfs/dbraw/zinc/51/96/65/804519665.db2.gz LMUPHCKLCDGJRF-OAHLLOKOSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246800416 804521184 /nfs/dbraw/zinc/52/11/84/804521184.db2.gz PMVLCRFUTQEKGD-WQVCFCJDSA-N 2 1 262.372 3.103 20 0 CGADMP C[N@@H+](CC1CCC1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246799710 804521526 /nfs/dbraw/zinc/52/15/26/804521526.db2.gz ANLNLLUCHYHVQV-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP COc1cccc([C@H]2CCCC[N@H+]2[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246799743 804521584 /nfs/dbraw/zinc/52/15/84/804521584.db2.gz ATPNONWXJJUHDS-UWWQBHOKSA-N 2 1 288.435 3.363 20 0 CGADMP C[N@@H+](CC1CCC1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246803424 804522951 /nfs/dbraw/zinc/52/29/51/804522951.db2.gz JZCMFECCTBYYLI-QZTJIDSGSA-N 2 1 272.436 3.082 20 0 CGADMP COc1cccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140804007 804524211 /nfs/dbraw/zinc/52/42/11/804524211.db2.gz ZBUPOCFAOUHYKX-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP COc1cccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140804007 804524215 /nfs/dbraw/zinc/52/42/15/804524215.db2.gz ZBUPOCFAOUHYKX-UHFFFAOYSA-N 2 1 281.359 3.204 20 0 CGADMP CC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246807646 804524680 /nfs/dbraw/zinc/52/46/80/804524680.db2.gz OOIXWJXLQKQDLK-KURKYZTESA-N 2 1 272.436 3.224 20 0 CGADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC2(CCCCC2)CC1 ZINC001246815617 804531804 /nfs/dbraw/zinc/53/18/04/804531804.db2.gz ZOQPMDZYVAXTHQ-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP C[N@@H+](CCc1ccc(F)cc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246820018 804535707 /nfs/dbraw/zinc/53/57/07/804535707.db2.gz DTODNBYJFVCWDI-QZTJIDSGSA-N 2 1 290.426 3.222 20 0 CGADMP Clc1ccc2c(c1)CC[N@@H+](C1CCC3(C[NH2+]C3)CC1)C2 ZINC001246834080 804542181 /nfs/dbraw/zinc/54/21/81/804542181.db2.gz DGHNXOGZQRXXCG-UHFFFAOYSA-N 2 1 290.838 3.230 20 0 CGADMP C1CC[C@@H]2[C@H](C1)CCC[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246834640 804542366 /nfs/dbraw/zinc/54/23/66/804542366.db2.gz IQZFWTSUTHESPQ-NQNKBUKLSA-N 2 1 262.441 3.314 20 0 CGADMP C1CC[C@@H]2[C@H](C1)CCC[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246834640 804542372 /nfs/dbraw/zinc/54/23/72/804542372.db2.gz IQZFWTSUTHESPQ-NQNKBUKLSA-N 2 1 262.441 3.314 20 0 CGADMP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H](C)CC[NH2+]C ZINC001246840445 804548190 /nfs/dbraw/zinc/54/81/90/804548190.db2.gz ONLJNUWSOPDSAO-LBPRGKRZSA-N 2 1 299.256 3.269 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246838871 804548321 /nfs/dbraw/zinc/54/83/21/804548321.db2.gz JITUDYPLIPMQCE-XGUBFFRZSA-N 2 1 252.446 3.131 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]1 ZINC001246842013 804549548 /nfs/dbraw/zinc/54/95/48/804549548.db2.gz SMBIXBWNCUTSCM-QKPAOTATSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001246841607 804549694 /nfs/dbraw/zinc/54/96/94/804549694.db2.gz NNTOQVILEWNLNE-SJLPKXTDSA-N 2 1 274.452 3.248 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CC2CCCC2)CC[NH2+]1 ZINC001246841622 804549985 /nfs/dbraw/zinc/54/99/85/804549985.db2.gz NPLXNLUQFLMZJZ-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001246843014 804551973 /nfs/dbraw/zinc/55/19/73/804551973.db2.gz DJVQAONVVUKXEU-KRWDZBQOSA-N 2 1 272.436 3.356 20 0 CGADMP CCCCC(CCCC)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246843288 804552782 /nfs/dbraw/zinc/55/27/82/804552782.db2.gz FOUYOWDROVSHMZ-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP Clc1ccc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246846521 804555981 /nfs/dbraw/zinc/55/59/81/804555981.db2.gz BFBBIOUKDKIGFZ-JTUUTPGSSA-N 2 1 290.838 3.412 20 0 CGADMP CCC(CC)[N@@H+](C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246847536 804556904 /nfs/dbraw/zinc/55/69/04/804556904.db2.gz TYCZCUVMMCGDNJ-AEFFLSMTSA-N 2 1 274.452 3.470 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1C[C@@H]3CC[NH2+]C[C@H]3C1)CC2 ZINC001246847716 804557566 /nfs/dbraw/zinc/55/75/66/804557566.db2.gz RTTHYGFVFOEHRM-GJZGRUSLSA-N 2 1 262.441 3.031 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC2(C)C)CC[NH2+]1 ZINC001246847562 804558089 /nfs/dbraw/zinc/55/80/89/804558089.db2.gz UJKYPQYKQVTHTO-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP c1ccc2c(c1)C[N@H+](C1CCCC1)CC21CC[NH2+]CC1 ZINC001246857814 804563255 /nfs/dbraw/zinc/56/32/55/804563255.db2.gz BSSKVLOTRSSWEV-UHFFFAOYSA-N 2 1 270.420 3.066 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246864364 804567679 /nfs/dbraw/zinc/56/76/79/804567679.db2.gz UVVYFWAQYZICAC-KXJMLMMSSA-N 2 1 264.457 3.405 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246862994 804568132 /nfs/dbraw/zinc/56/81/32/804568132.db2.gz OQJVAJJNSGSXID-PBHICJAKSA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246862994 804568140 /nfs/dbraw/zinc/56/81/40/804568140.db2.gz OQJVAJJNSGSXID-PBHICJAKSA-N 2 1 290.426 3.351 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001246865377 804570085 /nfs/dbraw/zinc/57/00/85/804570085.db2.gz UFYIDYKNISRRSD-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246869097 804572216 /nfs/dbraw/zinc/57/22/16/804572216.db2.gz DQBKXDJAXGIFLN-ROUUACIJSA-N 2 1 295.515 3.090 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)C2)cc1 ZINC001246870673 804572237 /nfs/dbraw/zinc/57/22/37/804572237.db2.gz YWPWSOCCBKIDGT-WNHJNPCNSA-N 2 1 284.447 3.397 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246882166 804577592 /nfs/dbraw/zinc/57/75/92/804577592.db2.gz LKYPIMPYGLSHMT-GDBMZVCRSA-N 2 1 278.465 3.492 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246882170 804578574 /nfs/dbraw/zinc/57/85/74/804578574.db2.gz LKYPIMPYGLSHMT-GOEBONIOSA-N 2 1 278.465 3.492 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246896258 804586231 /nfs/dbraw/zinc/58/62/31/804586231.db2.gz WBZZZMKMTGQVLV-KSSFIOAISA-N 2 1 268.404 3.412 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246896254 804586840 /nfs/dbraw/zinc/58/68/40/804586840.db2.gz WBZZZMKMTGQVLV-KBXCAEBGSA-N 2 1 268.404 3.412 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246901544 804588788 /nfs/dbraw/zinc/58/87/88/804588788.db2.gz NYLFGXZXXBAKOX-SWLSCSKDSA-N 2 1 266.816 3.302 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC001246909236 804593061 /nfs/dbraw/zinc/59/30/61/804593061.db2.gz OEHVQSOGSXEPGW-KRWDZBQOSA-N 2 1 272.436 3.410 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246908392 804593440 /nfs/dbraw/zinc/59/34/40/804593440.db2.gz ASWXGBDHLRLXOK-MSOLQXFVSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246912336 804594639 /nfs/dbraw/zinc/59/46/39/804594639.db2.gz RQJSZRXXHYKROV-CYBMUJFWSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@@H+](C1CCc2ccccc2CC1)C1(C)CC[NH2+]CC1 ZINC001246912524 804595214 /nfs/dbraw/zinc/59/52/14/804595214.db2.gz TZEJBUGTISYTPP-UHFFFAOYSA-N 2 1 272.436 3.008 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246914057 804596159 /nfs/dbraw/zinc/59/61/59/804596159.db2.gz YPNVJIUUHOIMPL-KRWDZBQOSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246913459 804597573 /nfs/dbraw/zinc/59/75/73/804597573.db2.gz XHTGFXOJHUDTCP-INWMFGNUSA-N 2 1 294.439 3.133 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246915501 804598267 /nfs/dbraw/zinc/59/82/67/804598267.db2.gz FZUWCCSBVIRYIG-OFLPRAFFSA-N 2 1 292.854 3.270 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)c1 ZINC001246932324 804606658 /nfs/dbraw/zinc/60/66/58/804606658.db2.gz ZWICABBBNYUFRW-PVAVHDDUSA-N 2 1 288.435 3.015 20 0 CGADMP Fc1ccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246934399 804607013 /nfs/dbraw/zinc/60/70/13/804607013.db2.gz IGAQICYMDQZVNA-CIRFHOKZSA-N 2 1 288.410 3.178 20 0 CGADMP Fc1ccc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246934399 804607018 /nfs/dbraw/zinc/60/70/18/804607018.db2.gz IGAQICYMDQZVNA-CIRFHOKZSA-N 2 1 288.410 3.178 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246933656 804607375 /nfs/dbraw/zinc/60/73/75/804607375.db2.gz ADGDYGKMZMDXGI-RRFJBIMHSA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1cccc(Cl)c1 ZINC001246936304 804608987 /nfs/dbraw/zinc/60/89/87/804608987.db2.gz IQYAQPHOYWIIKR-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP CC[C@H](C)[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001246943245 804612533 /nfs/dbraw/zinc/61/25/33/804612533.db2.gz PVDIBVYUEAUHMA-AWEZNQCLSA-N 2 1 278.415 3.426 20 0 CGADMP CCCCC[N@@H+](C)Cc1cccc(-n2ccnc2)c1 ZINC001141236686 804621157 /nfs/dbraw/zinc/62/11/57/804621157.db2.gz GJPVYTHSULXTOO-UHFFFAOYSA-N 2 1 257.381 3.494 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](CC)Cc1ccccc1 ZINC001246971358 804623138 /nfs/dbraw/zinc/62/31/38/804623138.db2.gz AQZHORGBEVGRGZ-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246972910 804623163 /nfs/dbraw/zinc/62/31/63/804623163.db2.gz GISRSFQCOYDZEW-JONQDZQNSA-N 2 1 252.446 3.405 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC2(CC2)CC1 ZINC001246975715 804624732 /nfs/dbraw/zinc/62/47/32/804624732.db2.gz OJBRFICYBODOIO-CQSZACIVSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246998078 804633336 /nfs/dbraw/zinc/63/33/36/804633336.db2.gz ABOAZQURDPUBPJ-DACLVMHWSA-N 2 1 290.426 3.362 20 0 CGADMP c1ccc2c(c1)C[NH2+]C21CC[NH+](C2CCCCC2)CC1 ZINC001247001512 804633920 /nfs/dbraw/zinc/63/39/20/804633920.db2.gz JXPGBYWNHADEKQ-UHFFFAOYSA-N 2 1 270.420 3.414 20 0 CGADMP C1CC2(C[N@H+]1[C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CCCCC2 ZINC001247000778 804634807 /nfs/dbraw/zinc/63/48/07/804634807.db2.gz XDPQKYVEPSEHSU-MUJYYYPQSA-N 2 1 262.441 3.316 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247013141 804641348 /nfs/dbraw/zinc/64/13/48/804641348.db2.gz FZMULPPMANLYFB-IPMKNSEASA-N 2 1 286.463 3.472 20 0 CGADMP C1C[NH2+][C@@H]2CC[N@@H+](C3CCCCCCC3)C[C@@H]2C1 ZINC001247016161 804643840 /nfs/dbraw/zinc/64/38/40/804643840.db2.gz SCGVCPBLAWWNRA-GOEBONIOSA-N 2 1 250.430 3.173 20 0 CGADMP C1C[NH2+][C@@H]2CC[N@H+](C3CCCCCCC3)C[C@@H]2C1 ZINC001247016161 804643844 /nfs/dbraw/zinc/64/38/44/804643844.db2.gz SCGVCPBLAWWNRA-GOEBONIOSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(F)c(C)c3)C[C@@H]2C1 ZINC001143385636 804846560 /nfs/dbraw/zinc/84/65/60/804846560.db2.gz XMOKJRZVEXSVCI-IRXDYDNUSA-N 2 1 290.426 3.216 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001257101158 807054219 /nfs/dbraw/zinc/05/42/19/807054219.db2.gz AAODBPJDBHKBAI-HUUCEWRRSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001257093274 807050381 /nfs/dbraw/zinc/05/03/81/807050381.db2.gz JFWFEMZKEMYWMK-MHORFTMASA-N 2 1 294.483 3.283 20 0 CGADMP C[N@H+](Cc1cc(C(C)(C)C)c[nH]1)CC1CC[NH+](C)CC1 ZINC001249479359 805157012 /nfs/dbraw/zinc/15/70/12/805157012.db2.gz ZGGVKKRZJYQQIO-UHFFFAOYSA-N 2 1 277.456 3.086 20 0 CGADMP C[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC001256854975 806992937 /nfs/dbraw/zinc/99/29/37/806992937.db2.gz CCKXQVYGYZRPRW-JKSUJKDBSA-N 2 1 287.451 3.418 20 0 CGADMP c1cc(C2CC2)cc(N2CCCCC23CC[NH2+]CC3)[nH+]1 ZINC001165339288 806997926 /nfs/dbraw/zinc/99/79/26/806997926.db2.gz UVEMEMYQQCJGBT-UHFFFAOYSA-N 2 1 271.408 3.072 20 0 CGADMP CC(C)[NH+]1CCC([N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001257214802 807062995 /nfs/dbraw/zinc/06/29/95/807062995.db2.gz LZNHAJCVGUBWNP-UHFFFAOYSA-N 2 1 274.399 3.226 20 0 CGADMP CCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001257318060 807104811 /nfs/dbraw/zinc/10/48/11/807104811.db2.gz ZXKPAPPWBJJHOI-SOUVJXGZSA-N 2 1 278.465 3.300 20 0 CGADMP CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001257318060 807104815 /nfs/dbraw/zinc/10/48/15/807104815.db2.gz ZXKPAPPWBJJHOI-SOUVJXGZSA-N 2 1 278.465 3.300 20 0 CGADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001257318060 807104817 /nfs/dbraw/zinc/10/48/17/807104817.db2.gz ZXKPAPPWBJJHOI-SOUVJXGZSA-N 2 1 278.465 3.300 20 0 CGADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001257318060 807104820 /nfs/dbraw/zinc/10/48/20/807104820.db2.gz ZXKPAPPWBJJHOI-SOUVJXGZSA-N 2 1 278.465 3.300 20 0 CGADMP CCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001257427281 807151412 /nfs/dbraw/zinc/15/14/12/807151412.db2.gz ZHAXJMHEWBOBKM-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001257427281 807151416 /nfs/dbraw/zinc/15/14/16/807151416.db2.gz ZHAXJMHEWBOBKM-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CCCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001257427281 807151422 /nfs/dbraw/zinc/15/14/22/807151422.db2.gz ZHAXJMHEWBOBKM-OWCLPIDISA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)OC1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001257884422 807237803 /nfs/dbraw/zinc/23/78/03/807237803.db2.gz UZNDKFSRVMKGOA-UHFFFAOYSA-N 2 1 291.439 3.259 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1CCOC ZINC001167824753 807255825 /nfs/dbraw/zinc/25/58/25/807255825.db2.gz GEZKFWQGHMHNOM-IRXDYDNUSA-N 2 1 284.488 3.388 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001167835233 807258356 /nfs/dbraw/zinc/25/83/56/807258356.db2.gz PIPNSXFKVPOFNE-JKSUJKDBSA-N 2 1 290.455 3.124 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCCCCO)C(C)C ZINC001167842431 807261669 /nfs/dbraw/zinc/26/16/69/807261669.db2.gz XEGQDCKQKPDZAZ-QGZVFWFLSA-N 2 1 286.504 3.370 20 0 CGADMP CC(C)C[NH+]1CCC([NH2+]C(C)(C)c2cccnc2)CC1 ZINC001258001295 807262658 /nfs/dbraw/zinc/26/26/58/807262658.db2.gz JANVCHOEKKPRLZ-UHFFFAOYSA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)C[NH+]1CCC([NH+]2CCC3(CCC3)CC2)CC1 ZINC001258013674 807267167 /nfs/dbraw/zinc/26/71/67/807267167.db2.gz WSXOYYBLRWWJDZ-UHFFFAOYSA-N 2 1 264.457 3.373 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167893308 807268483 /nfs/dbraw/zinc/26/84/83/807268483.db2.gz FVBOIXITJYGMNX-AKHDSKFASA-N 2 1 284.447 3.287 20 0 CGADMP c1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167965896 807287612 /nfs/dbraw/zinc/28/76/12/807287612.db2.gz POCVSOGYXAHVRK-YQQQUEKLSA-N 2 1 299.462 3.009 20 0 CGADMP FC1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167984742 807289529 /nfs/dbraw/zinc/28/95/29/807289529.db2.gz QLPLEIOPQFPKJV-YIONKMFJSA-N 2 1 284.394 3.123 20 0 CGADMP FC1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167984742 807289534 /nfs/dbraw/zinc/28/95/34/807289534.db2.gz QLPLEIOPQFPKJV-YIONKMFJSA-N 2 1 284.394 3.123 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCSCC1 ZINC001167978199 807289551 /nfs/dbraw/zinc/28/95/51/807289551.db2.gz LXEVYLRLPPNVAI-ALOPSCKCSA-N 2 1 294.508 3.125 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C2CSC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014880 807300411 /nfs/dbraw/zinc/30/04/11/807300411.db2.gz MVGAXBDXZULZHT-MIFYACCESA-N 2 1 290.476 3.133 20 0 CGADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@@H](C)C1 ZINC001168094517 807310620 /nfs/dbraw/zinc/31/06/20/807310620.db2.gz VEJOMTZRFMOMTD-NXNVCVFFSA-N 2 1 282.472 3.314 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CC34CCC4)CC2)cc1 ZINC001258137149 807318704 /nfs/dbraw/zinc/31/87/04/807318704.db2.gz BSRXIODZBUSGSN-SFHVURJKSA-N 2 1 284.447 3.226 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001258170387 807336620 /nfs/dbraw/zinc/33/66/20/807336620.db2.gz KDTPHNGRUQYUAP-FOLVSLTJSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H](Cc1ccco1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001258200775 807361644 /nfs/dbraw/zinc/36/16/44/807361644.db2.gz XEJONNIBDQCNPM-HNNXBMFYSA-N 2 1 276.424 3.161 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001168314439 807380936 /nfs/dbraw/zinc/38/09/36/807380936.db2.gz LBVWETFBAOWZIA-WXRRBKDZSA-N 2 1 296.352 3.083 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC001168323816 807384201 /nfs/dbraw/zinc/38/42/01/807384201.db2.gz DADGTMDLZNBGEE-UHFFFAOYSA-N 2 1 252.427 3.053 20 0 CGADMP C[NH+](C)C1CCC([N@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001168329791 807386936 /nfs/dbraw/zinc/38/69/36/807386936.db2.gz IKUBYZRLZXROCD-DAWZGUTISA-N 2 1 294.483 3.140 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353499 807389920 /nfs/dbraw/zinc/38/99/20/807389920.db2.gz PLWWKAUMOBGJHK-AWEZNQCLSA-N 2 1 288.435 3.220 20 0 CGADMP c1cncc([C@@H]2CCCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168381465 807398814 /nfs/dbraw/zinc/39/88/14/807398814.db2.gz WQYZJKFEZGLNPZ-IBGZPJMESA-N 2 1 299.462 3.483 20 0 CGADMP c1cncc([C@@H]2CCCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168381465 807398824 /nfs/dbraw/zinc/39/88/24/807398824.db2.gz WQYZJKFEZGLNPZ-IBGZPJMESA-N 2 1 299.462 3.483 20 0 CGADMP [NH3+]CC[C@@H]1CN(c2ccc3[nH]c[nH+]c3c2)c2ccccc21 ZINC001168548348 807443102 /nfs/dbraw/zinc/44/31/02/807443102.db2.gz LRMUVHRRAAQCQL-GFCCVEGCSA-N 2 1 278.359 3.147 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258453766 807459221 /nfs/dbraw/zinc/45/92/21/807459221.db2.gz VCIOKNCKUVDZLT-NOLJZWGESA-N 2 1 250.430 3.299 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168684102 807477348 /nfs/dbraw/zinc/47/73/48/807477348.db2.gz FLAPMQXHKGXTGK-XQLPTFJDSA-N 2 1 290.838 3.022 20 0 CGADMP CC1(C)CC[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001258599400 807498119 /nfs/dbraw/zinc/49/81/19/807498119.db2.gz ADOWDVCHXGMQPB-CABCVRRESA-N 2 1 252.446 3.406 20 0 CGADMP C[C@H](Cc1cccnc1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258619821 807512920 /nfs/dbraw/zinc/51/29/20/807512920.db2.gz YJFFIHPWAZYNQF-QGPMSJSTSA-N 2 1 287.451 3.137 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258649925 807522390 /nfs/dbraw/zinc/52/23/90/807522390.db2.gz UWFLYPVTYIMCMJ-QZTJIDSGSA-N 2 1 274.452 3.472 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001258708447 807561271 /nfs/dbraw/zinc/56/12/71/807561271.db2.gz XUWNKHKDXPEWQH-NVXWUHKLSA-N 2 1 262.441 3.315 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CCCCC1)C2 ZINC001169089682 807571825 /nfs/dbraw/zinc/57/18/25/807571825.db2.gz FVTVCVPCBLPQPH-PHZGNYQRSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(Cl)cc1)C2 ZINC001169091165 807572306 /nfs/dbraw/zinc/57/23/06/807572306.db2.gz OMQRWCBNHOQUJJ-PHZGNYQRSA-N 2 1 278.827 3.097 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169096858 807572961 /nfs/dbraw/zinc/57/29/61/807572961.db2.gz ZDDCVZLRUBCSMS-QDMKHBRRSA-N 2 1 276.449 3.123 20 0 CGADMP Cc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169094973 807573831 /nfs/dbraw/zinc/57/38/31/807573831.db2.gz OEJCQEVKWBJBIY-BCDXTJNWSA-N 2 1 272.436 3.061 20 0 CGADMP C=Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169098424 807576544 /nfs/dbraw/zinc/57/65/44/807576544.db2.gz HYADEEMNMOQAMN-OSYLJGHBSA-N 2 1 256.393 3.044 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169100240 807577070 /nfs/dbraw/zinc/57/70/70/807577070.db2.gz HHRVLJUXFCCKEO-WCXIOVBPSA-N 2 1 276.399 3.492 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1F ZINC001169109100 807577876 /nfs/dbraw/zinc/57/78/76/807577876.db2.gz YDHFYKDYQNAYLH-MHEUCROKSA-N 2 1 292.398 3.110 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1F ZINC001169109098 807579631 /nfs/dbraw/zinc/57/96/31/807579631.db2.gz YDHFYKDYQNAYLH-CYUUQNCZSA-N 2 1 292.398 3.110 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001169114819 807580179 /nfs/dbraw/zinc/58/01/79/807580179.db2.gz YYFUKVSPROZYAA-DFGXFYAUSA-N 2 1 287.451 3.384 20 0 CGADMP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001169114819 807580183 /nfs/dbraw/zinc/58/01/83/807580183.db2.gz YYFUKVSPROZYAA-DFGXFYAUSA-N 2 1 287.451 3.384 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccn3)CCC1)C2 ZINC001169115695 807581146 /nfs/dbraw/zinc/58/11/46/807581146.db2.gz MSENXYISVGEXPN-NNZMDNLPSA-N 2 1 299.462 3.009 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)C2 ZINC001169115275 807581598 /nfs/dbraw/zinc/58/15/98/807581598.db2.gz IAIGQQPXYRZOAU-LXTVHRRPSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1cncc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001169123331 807585041 /nfs/dbraw/zinc/58/50/41/807585041.db2.gz JJCYABJKAJCUDD-ZJPYXAASSA-N 2 1 285.435 3.056 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3c3c1CC[NH2+]C3)C2 ZINC001169140100 807589057 /nfs/dbraw/zinc/58/90/57/807589057.db2.gz HKSSJIMZMHUISR-QDMKHBRRSA-N 2 1 295.430 3.085 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC001169155174 807596614 /nfs/dbraw/zinc/59/66/14/807596614.db2.gz ZDJKRFHYQRMOKQ-BCDXTJNWSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC001169155174 807596616 /nfs/dbraw/zinc/59/66/16/807596616.db2.gz ZDJKRFHYQRMOKQ-BCDXTJNWSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169155174 807596620 /nfs/dbraw/zinc/59/66/20/807596620.db2.gz ZDJKRFHYQRMOKQ-BCDXTJNWSA-N 2 1 272.436 3.360 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001169266346 807619186 /nfs/dbraw/zinc/61/91/86/807619186.db2.gz VZKRENOZRRVAFP-HNNXBMFYSA-N 2 1 276.399 3.099 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001169266346 807619189 /nfs/dbraw/zinc/61/91/89/807619189.db2.gz VZKRENOZRRVAFP-HNNXBMFYSA-N 2 1 276.399 3.099 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258798790 807620138 /nfs/dbraw/zinc/62/01/38/807620138.db2.gz YUTIGWXVPCGDHO-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258798790 807620140 /nfs/dbraw/zinc/62/01/40/807620140.db2.gz YUTIGWXVPCGDHO-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258798790 807620143 /nfs/dbraw/zinc/62/01/43/807620143.db2.gz YUTIGWXVPCGDHO-HRCADAONSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C1CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001258804173 807624629 /nfs/dbraw/zinc/62/46/29/807624629.db2.gz QTEJGOIOSKPHPJ-UHFFFAOYSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@H]1CCC[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001258811901 807629844 /nfs/dbraw/zinc/62/98/44/807629844.db2.gz ACBGJSPXTWZUKR-GJZGRUSLSA-N 3 1 283.504 3.040 20 0 CGADMP COc1ccccc1C[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258893951 807667795 /nfs/dbraw/zinc/66/77/95/807667795.db2.gz BFJIPYRIRHCYGH-CQSZACIVSA-N 2 1 299.418 3.162 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccncc1 ZINC001258908241 807672755 /nfs/dbraw/zinc/67/27/55/807672755.db2.gz TWGYHGWCRXJCPK-HNNXBMFYSA-N 2 1 263.429 3.024 20 0 CGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnc(Cl)c1 ZINC001261276364 807728751 /nfs/dbraw/zinc/72/87/51/807728751.db2.gz GDPFCROVWPLNPX-NDNKKMJESA-N 2 1 279.815 3.011 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnc(Cl)c1 ZINC001261276364 807728759 /nfs/dbraw/zinc/72/87/59/807728759.db2.gz GDPFCROVWPLNPX-NDNKKMJESA-N 2 1 279.815 3.011 20 0 CGADMP C[C@@H]1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170118472 807765537 /nfs/dbraw/zinc/76/55/37/807765537.db2.gz SNYKQPOBOGBMST-DTZQCDIJSA-N 2 1 250.430 3.157 20 0 CGADMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCOCC1 ZINC001170798431 807908784 /nfs/dbraw/zinc/90/87/84/807908784.db2.gz ALJXZYFUDYRYNQ-BZUAXINKSA-N 2 1 282.472 3.174 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCCOCC2)CC1 ZINC001170799716 807908862 /nfs/dbraw/zinc/90/88/62/807908862.db2.gz MZJFQIDQNKDSMZ-KBAYOESNSA-N 2 1 294.483 3.460 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171032598 807966783 /nfs/dbraw/zinc/96/67/83/807966783.db2.gz GYIGYIHNRPUTTI-IFIJOSMWSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171032598 807966789 /nfs/dbraw/zinc/96/67/89/807966789.db2.gz GYIGYIHNRPUTTI-IFIJOSMWSA-N 2 1 292.854 3.127 20 0 CGADMP Cc1[nH+]c2ccc(NCC(C)(C)[NH3+])cc2n1C(C)C ZINC001171192668 808005024 /nfs/dbraw/zinc/00/50/24/808005024.db2.gz JLEAUYLPSBOWSH-UHFFFAOYSA-N 2 1 260.385 3.075 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001171555938 808093849 /nfs/dbraw/zinc/09/38/49/808093849.db2.gz FBCJBEBMUZJKMN-OKYOBFRVSA-N 2 1 298.474 3.457 20 0 CGADMP Cc1cccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001171555938 808093856 /nfs/dbraw/zinc/09/38/56/808093856.db2.gz FBCJBEBMUZJKMN-OKYOBFRVSA-N 2 1 298.474 3.457 20 0 CGADMP CCN1CCC([N@@H+](C)[C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571346 808101311 /nfs/dbraw/zinc/10/13/11/808101311.db2.gz WATLUMZXFLEBAM-GOSISDBHSA-N 2 1 286.463 3.268 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571346 808101314 /nfs/dbraw/zinc/10/13/14/808101314.db2.gz WATLUMZXFLEBAM-GOSISDBHSA-N 2 1 286.463 3.268 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571346 808101316 /nfs/dbraw/zinc/10/13/16/808101316.db2.gz WATLUMZXFLEBAM-GOSISDBHSA-N 2 1 286.463 3.268 20 0 CGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171625104 808106307 /nfs/dbraw/zinc/10/63/07/808106307.db2.gz BXLADZNBVFKVCZ-ZBFHGGJFSA-N 3 1 295.515 3.100 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCc3cccnc32)CC1(C)C ZINC001171623307 808106682 /nfs/dbraw/zinc/10/66/82/808106682.db2.gz SNDRCPKCHMIGPM-HNNXBMFYSA-N 2 1 287.451 3.310 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1(C)C ZINC001171639930 808110832 /nfs/dbraw/zinc/11/08/32/808110832.db2.gz VOWKFJVVMAQFJQ-HNNXBMFYSA-N 2 1 286.410 3.369 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001171659895 808114497 /nfs/dbraw/zinc/11/44/97/808114497.db2.gz GAEHUSZVZIHRCA-WMZOPIPTSA-N 2 1 274.452 3.390 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CCc1ccc(C)cc1 ZINC001171658238 808114531 /nfs/dbraw/zinc/11/45/31/808114531.db2.gz PWWXSPYRHIYTDZ-INIZCTEOSA-N 2 1 262.441 3.377 20 0 CGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171790232 808140651 /nfs/dbraw/zinc/14/06/51/808140651.db2.gz GXHMQKSPBVZHCQ-HOCLYGCPSA-N 2 1 290.426 3.134 20 0 CGADMP COCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977890 808162698 /nfs/dbraw/zinc/16/26/98/808162698.db2.gz URAZDBMJEHYJFA-QGZVFWFLSA-N 2 1 290.451 3.008 20 0 CGADMP COCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977890 808162704 /nfs/dbraw/zinc/16/27/04/808162704.db2.gz URAZDBMJEHYJFA-QGZVFWFLSA-N 2 1 290.451 3.008 20 0 CGADMP COCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977890 808162707 /nfs/dbraw/zinc/16/27/07/808162707.db2.gz URAZDBMJEHYJFA-QGZVFWFLSA-N 2 1 290.451 3.008 20 0 CGADMP CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064050 808170006 /nfs/dbraw/zinc/17/00/06/808170006.db2.gz DXWGLSBFZSCFPV-OSYLJGHBSA-N 2 1 258.409 3.182 20 0 CGADMP Cc1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098876 808171293 /nfs/dbraw/zinc/17/12/93/808171293.db2.gz CXDHLTUHRKQTHF-OSYLJGHBSA-N 2 1 258.409 3.100 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1F ZINC001172104689 808174161 /nfs/dbraw/zinc/17/41/61/808174161.db2.gz FHBGIEILHXGXBH-QKDCVEJESA-N 2 1 294.389 3.378 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1F ZINC001172104689 808174163 /nfs/dbraw/zinc/17/41/63/808174163.db2.gz FHBGIEILHXGXBH-QKDCVEJESA-N 2 1 294.389 3.378 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103167 808174420 /nfs/dbraw/zinc/17/44/20/808174420.db2.gz TZCPVBOHCWKABH-FPCVCCKLSA-N 2 1 288.435 3.361 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103167 808174424 /nfs/dbraw/zinc/17/44/24/808174424.db2.gz TZCPVBOHCWKABH-FPCVCCKLSA-N 2 1 288.435 3.361 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1cccc3F)C2 ZINC001172106501 808176357 /nfs/dbraw/zinc/17/63/57/808176357.db2.gz PPSKXYBXLQOCCK-FLTUCWPJSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1cccc3F)C2 ZINC001172106501 808176359 /nfs/dbraw/zinc/17/63/59/808176359.db2.gz PPSKXYBXLQOCCK-FLTUCWPJSA-N 2 1 288.410 3.418 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3ccncc31)C2 ZINC001172113557 808180282 /nfs/dbraw/zinc/18/02/82/808180282.db2.gz KHPJTYTXYMHUNO-DFGXFYAUSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3ccncc31)C2 ZINC001172113557 808180285 /nfs/dbraw/zinc/18/02/85/808180285.db2.gz KHPJTYTXYMHUNO-DFGXFYAUSA-N 2 1 285.435 3.064 20 0 CGADMP C[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116400 808181229 /nfs/dbraw/zinc/18/12/29/808181229.db2.gz HHBLBTSXKQOFHM-ARKGTOAJSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116400 808181231 /nfs/dbraw/zinc/18/12/31/808181231.db2.gz HHBLBTSXKQOFHM-ARKGTOAJSA-N 2 1 250.430 3.170 20 0 CGADMP COc1ccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172120067 808182593 /nfs/dbraw/zinc/18/25/93/808182593.db2.gz JLJLJBJJGWTCSV-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172120067 808182597 /nfs/dbraw/zinc/18/25/97/808182597.db2.gz JLJLJBJJGWTCSV-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172120067 808182600 /nfs/dbraw/zinc/18/26/00/808182600.db2.gz JLJLJBJJGWTCSV-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP COc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172120067 808182603 /nfs/dbraw/zinc/18/26/03/808182603.db2.gz JLJLJBJJGWTCSV-BJWYYQGGSA-N 2 1 288.435 3.142 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CCCC[C@@H]3C1)C2 ZINC001172122052 808183428 /nfs/dbraw/zinc/18/34/28/808183428.db2.gz WCDCUDRLFZYFPO-MTSZKFMLSA-N 2 1 262.441 3.124 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCCCCC1)C2 ZINC001172120955 808184200 /nfs/dbraw/zinc/18/42/00/808184200.db2.gz AKMRUOUZDOQLNG-MUJYYYPQSA-N 2 1 250.430 3.268 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCCCCC1)C2 ZINC001172120955 808184204 /nfs/dbraw/zinc/18/42/04/808184204.db2.gz AKMRUOUZDOQLNG-MUJYYYPQSA-N 2 1 250.430 3.268 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC3(CCC3)C1)C2 ZINC001172127206 808185446 /nfs/dbraw/zinc/18/54/46/808185446.db2.gz HODFUSGRFKMMQK-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC3(CCC3)C1)C2 ZINC001172127206 808185450 /nfs/dbraw/zinc/18/54/50/808185450.db2.gz HODFUSGRFKMMQK-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC3(CCC3)C1)C2 ZINC001172127206 808185454 /nfs/dbraw/zinc/18/54/54/808185454.db2.gz HODFUSGRFKMMQK-MUJYYYPQSA-N 2 1 262.441 3.268 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]1c1ccccc1)C2 ZINC001172127208 808185972 /nfs/dbraw/zinc/18/59/72/808185972.db2.gz HKQPHVDTWLWEEY-VSZNYVQBSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]1c1ccccc1)C2 ZINC001172127208 808185977 /nfs/dbraw/zinc/18/59/77/808185977.db2.gz HKQPHVDTWLWEEY-VSZNYVQBSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]1c1ccccc1)C2 ZINC001172127208 808185984 /nfs/dbraw/zinc/18/59/84/808185984.db2.gz HKQPHVDTWLWEEY-VSZNYVQBSA-N 2 1 270.420 3.449 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(c3ccccc3)C1)C2 ZINC001172127009 808186137 /nfs/dbraw/zinc/18/61/37/808186137.db2.gz FLQAGGYEZILOFJ-BCDXTJNWSA-N 2 1 270.420 3.101 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(c3ccccc3)C1)C2 ZINC001172127009 808186140 /nfs/dbraw/zinc/18/61/40/808186140.db2.gz FLQAGGYEZILOFJ-BCDXTJNWSA-N 2 1 270.420 3.101 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(c3ccccc3)C1)C2 ZINC001172127014 808186475 /nfs/dbraw/zinc/18/64/75/808186475.db2.gz FLQAGGYEZILOFJ-PIIMJCKOSA-N 2 1 270.420 3.101 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(c3ccccc3)C1)C2 ZINC001172127014 808186480 /nfs/dbraw/zinc/18/64/80/808186480.db2.gz FLQAGGYEZILOFJ-PIIMJCKOSA-N 2 1 270.420 3.101 20 0 CGADMP CC(C)[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131257 808187819 /nfs/dbraw/zinc/18/78/19/808187819.db2.gz VNURUXNKRLHUSU-QKPAOTATSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131257 808187807 /nfs/dbraw/zinc/18/78/07/808187807.db2.gz VNURUXNKRLHUSU-QKPAOTATSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131257 808187810 /nfs/dbraw/zinc/18/78/10/808187810.db2.gz VNURUXNKRLHUSU-QKPAOTATSA-N 2 1 250.430 3.122 20 0 CGADMP CC(C)[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131257 808187814 /nfs/dbraw/zinc/18/78/14/808187814.db2.gz VNURUXNKRLHUSU-QKPAOTATSA-N 2 1 250.430 3.122 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172320698 808230135 /nfs/dbraw/zinc/23/01/35/808230135.db2.gz ZNAGEJJRHSKKBT-BBWFWOEESA-N 2 1 284.488 3.434 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCO[C@H](C)CC ZINC001172348815 808247042 /nfs/dbraw/zinc/24/70/42/808247042.db2.gz ROXXWUPOZHJKBU-JKSUJKDBSA-N 2 1 272.477 3.244 20 0 CGADMP CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172441121 808317423 /nfs/dbraw/zinc/31/74/23/808317423.db2.gz SLZPDFXMPSCUNV-CVEARBPZSA-N 2 1 270.461 3.031 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172463861 808334066 /nfs/dbraw/zinc/33/40/66/808334066.db2.gz UWUANPDURFOSKO-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172463861 808334074 /nfs/dbraw/zinc/33/40/74/808334074.db2.gz UWUANPDURFOSKO-IAGOWNOFSA-N 2 1 296.499 3.434 20 0 CGADMP CCCCCC[C@@H](CCCC)[NH2+]CCC[N@@H+](C)CCO ZINC001172514265 808368197 /nfs/dbraw/zinc/36/81/97/808368197.db2.gz SIVPWNNYCFVOIA-QGZVFWFLSA-N 2 1 286.504 3.419 20 0 CGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C1(C[NH3+])CC1 ZINC001172571152 808395323 /nfs/dbraw/zinc/39/53/23/808395323.db2.gz JQNAEVAONNDERF-SECBINFHSA-N 2 1 288.769 3.020 20 0 CGADMP CC[C@H]1CC[C@H](C2CCC([N@H+](CC[NH3+])CCO)CC2)CC1 ZINC001172588908 808398511 /nfs/dbraw/zinc/39/85/11/808398511.db2.gz UVFJAXCFDDBLOS-MJYONLJCSA-N 2 1 296.499 3.015 20 0 CGADMP CC[C@H]1CC[C@H](C2CCC([N@@H+](CC[NH3+])CCO)CC2)CC1 ZINC001172588908 808398517 /nfs/dbraw/zinc/39/85/17/808398517.db2.gz UVFJAXCFDDBLOS-MJYONLJCSA-N 2 1 296.499 3.015 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172658304 808410062 /nfs/dbraw/zinc/41/00/62/808410062.db2.gz NQQUMQMHGHUJIJ-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172658304 808410067 /nfs/dbraw/zinc/41/00/67/808410067.db2.gz NQQUMQMHGHUJIJ-UHFFFAOYSA-N 2 1 282.472 3.139 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172855826 808463127 /nfs/dbraw/zinc/46/31/27/808463127.db2.gz HZHSKMLFKPCNTH-DOMZBBRYSA-N 2 1 298.833 3.484 20 0 CGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172873861 808472206 /nfs/dbraw/zinc/47/22/06/808472206.db2.gz OUIMWXQBNBBPRR-STQMWFEESA-N 2 1 298.883 3.362 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172881286 808475145 /nfs/dbraw/zinc/47/51/45/808475145.db2.gz ZTMDXWOCLFDXIV-NWDGAFQWSA-N 2 1 286.872 3.347 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001173109414 808511895 /nfs/dbraw/zinc/51/18/95/808511895.db2.gz ILXLDNHIKSRANQ-ABHNRTSZSA-N 2 1 294.483 3.284 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccc(C)nc2)CC1 ZINC001173114183 808513863 /nfs/dbraw/zinc/51/38/63/808513863.db2.gz YYGTUOPZYCZGEZ-UHFFFAOYSA-N 2 1 289.467 3.475 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)cc1 ZINC001173245006 808552384 /nfs/dbraw/zinc/55/23/84/808552384.db2.gz FXIJWLWFPPVXLI-SNRMKQJTSA-N 2 1 286.463 3.206 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CCc3cccs3)CC2)C1 ZINC001274991204 808895882 /nfs/dbraw/zinc/89/58/82/808895882.db2.gz QQTUJNDFVJUYCD-UHFFFAOYSA-N 2 1 278.465 3.098 20 0 CGADMP CCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275120650 808912899 /nfs/dbraw/zinc/91/28/99/808912899.db2.gz LDUNFAFNTARALP-CALCHBBNSA-N 2 1 289.467 3.349 20 0 CGADMP CCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275120650 808912904 /nfs/dbraw/zinc/91/29/04/808912904.db2.gz LDUNFAFNTARALP-CALCHBBNSA-N 2 1 289.467 3.349 20 0 CGADMP CCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275120650 808912907 /nfs/dbraw/zinc/91/29/07/808912907.db2.gz LDUNFAFNTARALP-CALCHBBNSA-N 2 1 289.467 3.349 20 0 CGADMP C(C1CCCC1)[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275155622 808917617 /nfs/dbraw/zinc/91/76/17/808917617.db2.gz OPPIHMDQMKGMKJ-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP C(C1CCCC1)[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275155622 808917622 /nfs/dbraw/zinc/91/76/22/808917622.db2.gz OPPIHMDQMKGMKJ-UHFFFAOYSA-N 2 1 262.441 3.127 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C1 ZINC001275199764 808921248 /nfs/dbraw/zinc/92/12/48/808921248.db2.gz PIROAGOTDKCCJQ-UHFFFAOYSA-N 2 1 298.474 3.483 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c(OC)cc1C ZINC001275291352 808927000 /nfs/dbraw/zinc/92/70/00/808927000.db2.gz MXRKUIZHYVUVOV-ALOPSCKCSA-N 2 1 288.435 3.027 20 0 CGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)Cc1ccccc12 ZINC001275943528 808979415 /nfs/dbraw/zinc/97/94/15/808979415.db2.gz LDGMCVSJUQWZTG-UHFFFAOYSA-N 2 1 296.414 3.259 20 0 CGADMP Cc1cccc2c(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)c[nH]c21 ZINC001276054295 808986388 /nfs/dbraw/zinc/98/63/88/808986388.db2.gz HOEAZRAYKWKHKZ-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1cccc2c(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)c[nH]c21 ZINC001276054295 808986394 /nfs/dbraw/zinc/98/63/94/808986394.db2.gz HOEAZRAYKWKHKZ-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP Cc1cccc2c(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)c[nH]c21 ZINC001276054295 808986399 /nfs/dbraw/zinc/98/63/99/808986399.db2.gz HOEAZRAYKWKHKZ-IYBDPMFKSA-N 2 1 297.446 3.250 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC001276169796 808991468 /nfs/dbraw/zinc/99/14/68/808991468.db2.gz DGUKXFBKTRNRGM-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(Cl)c3F)C[C@H]2CC1 ZINC001276377034 809005817 /nfs/dbraw/zinc/00/58/17/809005817.db2.gz ISJIYIRGCYWJQM-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]2CC1 ZINC001276377034 809005822 /nfs/dbraw/zinc/00/58/22/809005822.db2.gz ISJIYIRGCYWJQM-BETUJISGSA-N 2 1 296.817 3.253 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC001276469249 809011665 /nfs/dbraw/zinc/01/16/65/809011665.db2.gz AQQROTWPDQPYOO-QAPCUYQASA-N 2 1 290.451 3.499 20 0 CGADMP Cc1ccc([C@H](C)CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC001276469249 809011671 /nfs/dbraw/zinc/01/16/71/809011671.db2.gz AQQROTWPDQPYOO-QAPCUYQASA-N 2 1 290.451 3.499 20 0 CGADMP Cc1ccc([C@H](C)CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC001276469249 809011679 /nfs/dbraw/zinc/01/16/79/809011679.db2.gz AQQROTWPDQPYOO-QAPCUYQASA-N 2 1 290.451 3.499 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)CC1 ZINC001276472440 809012870 /nfs/dbraw/zinc/01/28/70/809012870.db2.gz MTFZNCHTXKMGBU-TVFCKZIOSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)CC1 ZINC001276472440 809012878 /nfs/dbraw/zinc/01/28/78/809012878.db2.gz MTFZNCHTXKMGBU-TVFCKZIOSA-N 2 1 276.468 3.252 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)CC1 ZINC001276472440 809012885 /nfs/dbraw/zinc/01/28/85/809012885.db2.gz MTFZNCHTXKMGBU-TVFCKZIOSA-N 2 1 276.468 3.252 20 0 CGADMP FCCCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278205345 809119397 /nfs/dbraw/zinc/11/93/97/809119397.db2.gz JBBBCUMCJWKIRU-KRWDZBQOSA-N 2 1 282.447 3.467 20 0 CGADMP FCCCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278205345 809119400 /nfs/dbraw/zinc/11/94/00/809119400.db2.gz JBBBCUMCJWKIRU-KRWDZBQOSA-N 2 1 282.447 3.467 20 0 CGADMP FCCCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278205345 809119402 /nfs/dbraw/zinc/11/94/02/809119402.db2.gz JBBBCUMCJWKIRU-KRWDZBQOSA-N 2 1 282.447 3.467 20 0 CGADMP CCc1ccccc1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175069619 809259569 /nfs/dbraw/zinc/25/95/69/809259569.db2.gz FPYMAVCRTYQTPF-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCc1ccccc1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175069619 809259574 /nfs/dbraw/zinc/25/95/74/809259574.db2.gz FPYMAVCRTYQTPF-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCc1ccccc1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175069619 809259579 /nfs/dbraw/zinc/25/95/79/809259579.db2.gz FPYMAVCRTYQTPF-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP CCc1ccccc1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175069619 809259583 /nfs/dbraw/zinc/25/95/83/809259583.db2.gz FPYMAVCRTYQTPF-HDICACEKSA-N 2 1 272.436 3.023 20 0 CGADMP C[N@H+]1CCC=C(Nc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001175576716 809458337 /nfs/dbraw/zinc/45/83/37/809458337.db2.gz RCIHKAFAWNRTBG-UHFFFAOYSA-N 2 1 285.435 3.304 20 0 CGADMP C[N@H+]1CCC=C(Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001175582284 809462047 /nfs/dbraw/zinc/46/20/47/809462047.db2.gz KHPVHESNDCRGJI-UHFFFAOYSA-N 2 1 299.462 3.346 20 0 CGADMP Cc1cc(C)c(Nc2ccnn2-c2ccncc2)cn1 ZINC001213510736 815293195 /nfs/dbraw/zinc/29/31/95/815293195.db2.gz ICPXZNZAYOHTNT-UHFFFAOYSA-N 2 1 265.320 3.023 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)[NH+]1CCCC1 ZINC001177222806 809788506 /nfs/dbraw/zinc/78/85/06/809788506.db2.gz QAOJSDCDBYRZRC-ZJIFWQFVSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC001177338534 809795529 /nfs/dbraw/zinc/79/55/29/809795529.db2.gz ZDQRUGOQQVCMNX-UHFFFAOYSA-N 2 1 281.831 3.088 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C)cc1 ZINC001177912608 809830457 /nfs/dbraw/zinc/83/04/57/809830457.db2.gz PUONLBWJDWUFTA-UHFFFAOYSA-N 2 1 257.381 3.070 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC001180907574 810026608 /nfs/dbraw/zinc/02/66/08/810026608.db2.gz QOWLRKDLYSWOLY-CYBMUJFWSA-N 2 1 292.389 3.381 20 0 CGADMP Cc1cc(C)cc(CC[NH2+]C(C)(C)C[NH+]2CCCC2)c1 ZINC001182424174 810108852 /nfs/dbraw/zinc/10/88/52/810108852.db2.gz PRRWRZLEPFEOTN-UHFFFAOYSA-N 2 1 274.452 3.310 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+]CCc1ccc(F)c(F)c1 ZINC001182715957 810121378 /nfs/dbraw/zinc/12/13/78/810121378.db2.gz SJVCFRJPOIROBQ-UHFFFAOYSA-N 2 1 284.394 3.075 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001182960782 810132334 /nfs/dbraw/zinc/13/23/34/810132334.db2.gz UXDBROZTXGZDDH-KRWDZBQOSA-N 2 1 290.426 3.365 20 0 CGADMP Fc1ccc(CC[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001182960782 810132338 /nfs/dbraw/zinc/13/23/38/810132338.db2.gz UXDBROZTXGZDDH-KRWDZBQOSA-N 2 1 290.426 3.365 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001183370659 810146693 /nfs/dbraw/zinc/14/66/93/810146693.db2.gz IQTQVZQFTNIRBR-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001183370659 810146696 /nfs/dbraw/zinc/14/66/96/810146696.db2.gz IQTQVZQFTNIRBR-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001183370659 810146699 /nfs/dbraw/zinc/14/66/99/810146699.db2.gz IQTQVZQFTNIRBR-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC001183370659 810146702 /nfs/dbraw/zinc/14/67/02/810146702.db2.gz IQTQVZQFTNIRBR-TWMKSMIVSA-N 2 1 264.457 3.229 20 0 CGADMP CNc1ccc(C)cc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001183497740 810150584 /nfs/dbraw/zinc/15/05/84/810150584.db2.gz ANJDEADLLVCITE-UHFFFAOYSA-N 2 1 287.451 3.097 20 0 CGADMP C[C@@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001184197912 810182246 /nfs/dbraw/zinc/18/22/46/810182246.db2.gz SOHYTQCMKJNCIU-HNNXBMFYSA-N 2 1 262.441 3.310 20 0 CGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC001191454893 810715589 /nfs/dbraw/zinc/71/55/89/810715589.db2.gz SAIQXGASYJEIPP-KRWDZBQOSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC001194881783 811162154 /nfs/dbraw/zinc/16/21/54/811162154.db2.gz DCNRYXHARPZBIQ-MSOLQXFVSA-N 2 1 297.531 3.018 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc(Cl)s1 ZINC001199353407 811573533 /nfs/dbraw/zinc/57/35/33/811573533.db2.gz HQXGTDKRBIINJX-UHFFFAOYSA-N 2 1 295.839 3.195 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)CC1 ZINC001199708941 811589450 /nfs/dbraw/zinc/58/94/50/811589450.db2.gz MOXSMFBBOJXGTR-PWUWZPNHSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)CC1 ZINC001199708941 811589454 /nfs/dbraw/zinc/58/94/54/811589454.db2.gz MOXSMFBBOJXGTR-PWUWZPNHSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001201411608 811834829 /nfs/dbraw/zinc/83/48/29/811834829.db2.gz RAKXWHRGKNAYJB-INIZCTEOSA-N 2 1 285.435 3.285 20 0 CGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201502774 811870752 /nfs/dbraw/zinc/87/07/52/811870752.db2.gz KUVSOGLSHYUCAB-ZYSHUDEJSA-N 2 1 286.463 3.405 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201502774 811870762 /nfs/dbraw/zinc/87/07/62/811870762.db2.gz KUVSOGLSHYUCAB-ZYSHUDEJSA-N 2 1 286.463 3.405 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201502774 811870774 /nfs/dbraw/zinc/87/07/74/811870774.db2.gz KUVSOGLSHYUCAB-ZYSHUDEJSA-N 2 1 286.463 3.405 20 0 CGADMP CCC[C@H](C)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201544493 811895656 /nfs/dbraw/zinc/89/56/56/811895656.db2.gz XZJNXPXRIWMWAO-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201544493 811895663 /nfs/dbraw/zinc/89/56/63/811895663.db2.gz XZJNXPXRIWMWAO-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201544493 811895669 /nfs/dbraw/zinc/89/56/69/811895669.db2.gz XZJNXPXRIWMWAO-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@H](C)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201544493 811895678 /nfs/dbraw/zinc/89/56/78/811895678.db2.gz XZJNXPXRIWMWAO-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP CCCC[C@H](CC)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201572718 811909534 /nfs/dbraw/zinc/90/95/34/811909534.db2.gz WTNJCNLAHHRRNA-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CCCCC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201725936 811948571 /nfs/dbraw/zinc/94/85/71/811948571.db2.gz AMKZHXJICKDKNW-GJZGRUSLSA-N 2 1 278.465 3.302 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)cc(C)cc1C ZINC001203744299 812449057 /nfs/dbraw/zinc/44/90/57/812449057.db2.gz ASSXXVSCTMQHNK-UHFFFAOYSA-N 2 1 262.441 3.385 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)cc1 ZINC001203958092 812502828 /nfs/dbraw/zinc/50/28/28/812502828.db2.gz KSCLQFSUAHYNRC-QGZVFWFLSA-N 2 1 298.386 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203958092 812502832 /nfs/dbraw/zinc/50/28/32/812502832.db2.gz KSCLQFSUAHYNRC-QGZVFWFLSA-N 2 1 298.386 3.052 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(CC)cc1 ZINC001204179375 812567570 /nfs/dbraw/zinc/56/75/70/812567570.db2.gz OZJSUSXHYFUFCC-UHFFFAOYSA-N 2 1 262.441 3.413 20 0 CGADMP CC[N@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001204599264 812685570 /nfs/dbraw/zinc/68/55/70/812685570.db2.gz VCAUMTJCICIKOK-TZMCWYRMSA-N 2 1 274.399 3.132 20 0 CGADMP CC[N@@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001204599264 812685575 /nfs/dbraw/zinc/68/55/75/812685575.db2.gz VCAUMTJCICIKOK-TZMCWYRMSA-N 2 1 274.399 3.132 20 0 CGADMP CCC[N@@H+](CC1CC2(C1)CC[NH2+]CC2)[C@@H](C)CC ZINC001204630082 812695326 /nfs/dbraw/zinc/69/53/26/812695326.db2.gz KFBADHCECHSJTF-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205009517 812821937 /nfs/dbraw/zinc/82/19/37/812821937.db2.gz VRFJKIQGXQONQQ-OAHLLOKOSA-N 2 1 285.435 3.093 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205009641 812823565 /nfs/dbraw/zinc/82/35/65/812823565.db2.gz ZUSYZTJJGGXTLE-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205009641 812823567 /nfs/dbraw/zinc/82/35/67/812823567.db2.gz ZUSYZTJJGGXTLE-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001205016246 812826965 /nfs/dbraw/zinc/82/69/65/812826965.db2.gz HNOVPUXSVXZHQH-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001205016246 812826973 /nfs/dbraw/zinc/82/69/73/812826973.db2.gz HNOVPUXSVXZHQH-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC001205018879 812828040 /nfs/dbraw/zinc/82/80/40/812828040.db2.gz ZOQSHLKNQYAUIP-SFHVURJKSA-N 2 1 274.452 3.461 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205018700 812829219 /nfs/dbraw/zinc/82/92/19/812829219.db2.gz YGLYIDIPBJOHRP-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205018700 812829227 /nfs/dbraw/zinc/82/92/27/812829227.db2.gz YGLYIDIPBJOHRP-INIZCTEOSA-N 2 1 290.451 3.295 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001205109884 812871873 /nfs/dbraw/zinc/87/18/73/812871873.db2.gz MBRMOKGBNKVNAF-LBPRGKRZSA-N 2 1 277.799 3.135 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1OC(C)C ZINC001205117566 812875319 /nfs/dbraw/zinc/87/53/19/812875319.db2.gz RJGIBOUAVMUMRU-MRXNPFEDSA-N 2 1 276.424 3.095 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(C(C)(C)C)CC1 ZINC001205164596 812894706 /nfs/dbraw/zinc/89/47/06/812894706.db2.gz INYLFCRZKJIRLG-TZMCWYRMSA-N 2 1 288.426 3.235 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@](C)([NH3+])CC3)c2c1 ZINC001205264821 812922145 /nfs/dbraw/zinc/92/21/45/812922145.db2.gz NFBKRLMBWFDHAQ-KRWDZBQOSA-N 2 1 271.408 3.180 20 0 CGADMP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)ccc1Cl ZINC001205273795 812926374 /nfs/dbraw/zinc/92/63/74/812926374.db2.gz PPQMPLXRDAQKRJ-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1Cl ZINC001205273795 812926378 /nfs/dbraw/zinc/92/63/78/812926378.db2.gz PPQMPLXRDAQKRJ-OAHLLOKOSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001205274670 812926419 /nfs/dbraw/zinc/92/64/19/812926419.db2.gz ZUELNLQJDJOJID-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1OC(C)C ZINC001205281608 812929892 /nfs/dbraw/zinc/92/98/92/812929892.db2.gz VTEUNQWYEZLYIT-SFHVURJKSA-N 2 1 290.451 3.486 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3ccoc32)CC1 ZINC001205289628 812933309 /nfs/dbraw/zinc/93/33/09/812933309.db2.gz ZZULLWXPIGAZMT-MRXNPFEDSA-N 2 1 276.355 3.275 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cccc2n1 ZINC001205296266 812937266 /nfs/dbraw/zinc/93/72/66/812937266.db2.gz KHKVNHPYTHGQAY-GOSISDBHSA-N 2 1 283.419 3.247 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C[C@H]1C[NH3+] ZINC001205304681 812942274 /nfs/dbraw/zinc/94/22/74/812942274.db2.gz OXMAWNKFYYABDW-VXGBXAGGSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC001205314931 812947634 /nfs/dbraw/zinc/94/76/34/812947634.db2.gz DQSRFJOBLVDZED-PBHICJAKSA-N 2 1 290.451 3.199 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318205 812950677 /nfs/dbraw/zinc/95/06/77/812950677.db2.gz SUVVQYZSEVUSCM-OCCSQVGLSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205317958 812950757 /nfs/dbraw/zinc/95/07/57/812950757.db2.gz QZOCATYMQAAKAD-JSGCOSHPSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205317958 812950760 /nfs/dbraw/zinc/95/07/60/812950760.db2.gz QZOCATYMQAAKAD-JSGCOSHPSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318522 812951143 /nfs/dbraw/zinc/95/11/43/812951143.db2.gz VQARPOORXVEDCA-JQWIXIFHSA-N 2 1 284.806 3.204 20 0 CGADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318522 812951148 /nfs/dbraw/zinc/95/11/48/812951148.db2.gz VQARPOORXVEDCA-JQWIXIFHSA-N 2 1 284.806 3.204 20 0 CGADMP Cc1ccc(CC[N@@H+](C)CCC[NH+]2CCCC2)cc1C ZINC001205535354 812997186 /nfs/dbraw/zinc/99/71/86/812997186.db2.gz LSUVCLBWBMMQRL-UHFFFAOYSA-N 2 1 274.452 3.264 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001205546174 812999573 /nfs/dbraw/zinc/99/95/73/812999573.db2.gz RFSDUFIIJDFDKQ-CQSZACIVSA-N 2 1 288.769 3.132 20 0 CGADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccn1 ZINC001205578453 813011250 /nfs/dbraw/zinc/01/12/50/813011250.db2.gz CFORDDZWASADRL-QGZVFWFLSA-N 2 1 293.430 3.032 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2(c3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001205600924 813017373 /nfs/dbraw/zinc/01/73/73/813017373.db2.gz CLXIRCRQXCCMFQ-CVEARBPZSA-N 2 1 272.436 3.025 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205600401 813018168 /nfs/dbraw/zinc/01/81/68/813018168.db2.gz BFXGGZIQYAITEU-SJLPKXTDSA-N 2 1 274.452 3.316 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)CC[C@@H]1C[NH3+] ZINC001205616590 813026051 /nfs/dbraw/zinc/02/60/51/813026051.db2.gz GJCDLWAKGRDBBW-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)CC[C@@H]1C[NH3+] ZINC001205618274 813028655 /nfs/dbraw/zinc/02/86/55/813028655.db2.gz UAWQFMMPCDZVDB-DZGCQCFKSA-N 2 1 272.392 3.240 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205636073 813037113 /nfs/dbraw/zinc/03/71/13/813037113.db2.gz CACWFNXRRLOSQV-UONOGXRCSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC001205639153 813038215 /nfs/dbraw/zinc/03/82/15/813038215.db2.gz WNMRNQPRIOHENN-GOEBONIOSA-N 2 1 299.418 3.148 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1F ZINC001205651771 813041973 /nfs/dbraw/zinc/04/19/73/813041973.db2.gz JTBQCQQIJVNFQK-UKRRQHHQSA-N 2 1 294.414 3.031 20 0 CGADMP CCc1cccc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205653710 813043248 /nfs/dbraw/zinc/04/32/48/813043248.db2.gz UKQYDYXVKFUDTN-YOEHRIQHSA-N 2 1 274.452 3.364 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2c3ccoc3ccc2F)CC[C@@H]1C[NH3+] ZINC001205654180 813044977 /nfs/dbraw/zinc/04/49/77/813044977.db2.gz WPLXFKOYUDCLAG-QWHCGFSZSA-N 2 1 290.382 3.379 20 0 CGADMP CCOc1cc(C)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205662886 813045634 /nfs/dbraw/zinc/04/56/34/813045634.db2.gz FDIVZKHUZNXEST-HOTGVXAUSA-N 2 1 290.451 3.201 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@]1(C)CCCS1 ZINC001205684177 813052751 /nfs/dbraw/zinc/05/27/51/813052751.db2.gz DLEOYCVHYFWHQO-HNNXBMFYSA-N 2 1 272.502 3.326 20 0 CGADMP CC(C)c1cccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205794833 813079529 /nfs/dbraw/zinc/07/95/29/813079529.db2.gz BRCITFWRCXCCPS-OAHLLOKOSA-N 2 1 282.378 3.226 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205794833 813079538 /nfs/dbraw/zinc/07/95/38/813079538.db2.gz BRCITFWRCXCCPS-OAHLLOKOSA-N 2 1 282.378 3.226 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc3ccccc32)C1 ZINC001205803111 813083329 /nfs/dbraw/zinc/08/33/29/813083329.db2.gz FHJZEVVHCJUJQJ-PBHICJAKSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc3ccccc32)C1 ZINC001205803111 813083338 /nfs/dbraw/zinc/08/33/38/813083338.db2.gz FHJZEVVHCJUJQJ-PBHICJAKSA-N 2 1 268.404 3.399 20 0 CGADMP C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826585 813098420 /nfs/dbraw/zinc/09/84/20/813098420.db2.gz ANGAEWZQVYTMOX-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826585 813098428 /nfs/dbraw/zinc/09/84/28/813098428.db2.gz ANGAEWZQVYTMOX-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826585 813098432 /nfs/dbraw/zinc/09/84/32/813098432.db2.gz ANGAEWZQVYTMOX-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001205826585 813098439 /nfs/dbraw/zinc/09/84/39/813098439.db2.gz ANGAEWZQVYTMOX-YJBOKZPZSA-N 2 1 295.430 3.308 20 0 CGADMP CCc1cccc(C)c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205851787 813108206 /nfs/dbraw/zinc/10/82/06/813108206.db2.gz BTLNHAAKSMZPDE-XJKSGUPXSA-N 2 1 260.425 3.117 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205851787 813108211 /nfs/dbraw/zinc/10/82/11/813108211.db2.gz BTLNHAAKSMZPDE-XJKSGUPXSA-N 2 1 260.425 3.117 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c12 ZINC001205855883 813109831 /nfs/dbraw/zinc/10/98/31/813109831.db2.gz QGIVNLDBYYXBDK-BBRMVZONSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c12 ZINC001205855883 813109837 /nfs/dbraw/zinc/10/98/37/813109837.db2.gz QGIVNLDBYYXBDK-BBRMVZONSA-N 2 1 283.419 3.102 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205902601 813124356 /nfs/dbraw/zinc/12/43/56/813124356.db2.gz KWEQHDAYIKBCDE-CABCVRRESA-N 2 1 276.424 3.035 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCCc1ccccc1 ZINC001205903066 813124442 /nfs/dbraw/zinc/12/44/42/813124442.db2.gz NLUAEZCBTRSHPB-FUHWJXTLSA-N 2 1 274.452 3.459 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c[nH]c21 ZINC001205904856 813127457 /nfs/dbraw/zinc/12/74/57/813127457.db2.gz XIEWWJUTHGEASW-HIFRSBDPSA-N 2 1 285.435 3.290 20 0 CGADMP CCc1cccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c[nH]c21 ZINC001205904854 813128288 /nfs/dbraw/zinc/12/82/88/813128288.db2.gz XIEWWJUTHGEASW-DZGCQCFKSA-N 2 1 285.435 3.290 20 0 CGADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205905197 813128404 /nfs/dbraw/zinc/12/84/04/813128404.db2.gz ZIQHLKPYZKUDND-OLZOCXBDSA-N 2 1 289.398 3.175 20 0 CGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205914825 813130891 /nfs/dbraw/zinc/13/08/91/813130891.db2.gz ODXMHCDBYYVIGM-HOCLYGCPSA-N 2 1 290.451 3.423 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccn1Cc1ccccc1 ZINC001205915536 813131415 /nfs/dbraw/zinc/13/14/15/813131415.db2.gz PNMFLHNPBDZOPV-AEFFLSMTSA-N 2 1 297.446 3.096 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1OC(C)C ZINC001205915809 813131554 /nfs/dbraw/zinc/13/15/54/813131554.db2.gz QPYDGPKZWOJQTG-RDJZCZTQSA-N 2 1 290.451 3.341 20 0 CGADMP C[C@@H]1C[N@@H+](CCc2cccc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205984609 813151409 /nfs/dbraw/zinc/15/14/09/813151409.db2.gz SLMBDFOBLRWLIM-UKRRQHHQSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CCC[C@H]1C[NH3+] ZINC001205995332 813156405 /nfs/dbraw/zinc/15/64/05/813156405.db2.gz NQMNZPDWSYAQJA-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3cc(O)ccc3c2)CCC[C@@H]1C[NH3+] ZINC001206003517 813160964 /nfs/dbraw/zinc/16/09/64/813160964.db2.gz IXGKKNUKKSHQCD-RDTXWAMCSA-N 2 1 298.430 3.352 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Cl ZINC001206003709 813161500 /nfs/dbraw/zinc/16/15/00/813161500.db2.gz LLNLVRHGQAEFJQ-ZFWWWQNUSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)cc1F ZINC001206011609 813163818 /nfs/dbraw/zinc/16/38/18/813163818.db2.gz FJSNTFUCOJDIQL-QWHCGFSZSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCCC3)CCC[C@H]1C[NH3+] ZINC001206012734 813165602 /nfs/dbraw/zinc/16/56/02/813165602.db2.gz NJIYPPJLEIIDKN-RDJZCZTQSA-N 2 1 286.463 3.372 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cnc1C1CC1 ZINC001206036690 813176277 /nfs/dbraw/zinc/17/62/77/813176277.db2.gz NZGWEBSDXRRTBK-WMLDXEAASA-N 2 1 287.451 3.074 20 0 CGADMP Cc1cccc2c1C[N@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001206081314 813194955 /nfs/dbraw/zinc/19/49/55/813194955.db2.gz LIJABKGQKCVRMB-UHFFFAOYSA-N 2 1 284.428 3.218 20 0 CGADMP Cc1cccc2c1C[N@@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001206081314 813194959 /nfs/dbraw/zinc/19/49/59/813194959.db2.gz LIJABKGQKCVRMB-UHFFFAOYSA-N 2 1 284.428 3.218 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206156690 813216563 /nfs/dbraw/zinc/21/65/63/813216563.db2.gz SCEBKBHKCQQZJP-DLBZAZTESA-N 2 1 294.414 3.127 20 0 CGADMP [NH3+][C@H]1CC[N@H+](CCCC2CCCCC2)CC[C@@H]1F ZINC001206156258 813217236 /nfs/dbraw/zinc/21/72/36/813217236.db2.gz PMUHYGCVNWMHPV-GJZGRUSLSA-N 2 1 256.409 3.108 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](CCCC2CCCCC2)CC[C@@H]1F ZINC001206156258 813217241 /nfs/dbraw/zinc/21/72/41/813217241.db2.gz PMUHYGCVNWMHPV-GJZGRUSLSA-N 2 1 256.409 3.108 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc12 ZINC001206164663 813221088 /nfs/dbraw/zinc/22/10/88/813221088.db2.gz LIHKDMBZRHQWCD-MSOLQXFVSA-N 2 1 286.394 3.409 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc12 ZINC001206164663 813221092 /nfs/dbraw/zinc/22/10/92/813221092.db2.gz LIHKDMBZRHQWCD-MSOLQXFVSA-N 2 1 286.394 3.409 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1F ZINC001206163666 813221102 /nfs/dbraw/zinc/22/11/02/813221102.db2.gz DPVQBJRYKXWLTK-KGLIPLIRSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[C@@H]1F ZINC001206176141 813228062 /nfs/dbraw/zinc/22/80/62/813228062.db2.gz YJFPLZLUCSECIK-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC[C@@H]1F ZINC001206176141 813228067 /nfs/dbraw/zinc/22/80/67/813228067.db2.gz YJFPLZLUCSECIK-UONOGXRCSA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cncc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206187496 813232036 /nfs/dbraw/zinc/23/20/36/813232036.db2.gz TYCALKLWOGFTAL-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206187496 813232041 /nfs/dbraw/zinc/23/20/41/813232041.db2.gz TYCALKLWOGFTAL-ZWKOTPCHSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)CC[C@@H]1F ZINC001206200976 813236432 /nfs/dbraw/zinc/23/64/32/813236432.db2.gz UWDDJFQSBQQPSL-DLBZAZTESA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC[C@@H]1F ZINC001206200976 813236438 /nfs/dbraw/zinc/23/64/38/813236438.db2.gz UWDDJFQSBQQPSL-DLBZAZTESA-N 2 1 299.393 3.010 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206200149 813236580 /nfs/dbraw/zinc/23/65/80/813236580.db2.gz QROXYGFFFUUZPX-JKSUJKDBSA-N 2 1 294.414 3.125 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1OC(C)C ZINC001206197767 813236914 /nfs/dbraw/zinc/23/69/14/813236914.db2.gz JFXXHNOWVLSUPA-CVEARBPZSA-N 2 1 294.414 3.043 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206214161 813244346 /nfs/dbraw/zinc/24/43/46/813244346.db2.gz XMJCAEJSJDMGML-GJZGRUSLSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1c(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206214161 813244349 /nfs/dbraw/zinc/24/43/49/813244349.db2.gz XMJCAEJSJDMGML-GJZGRUSLSA-N 2 1 284.806 3.218 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC001206296027 813276806 /nfs/dbraw/zinc/27/68/06/813276806.db2.gz OTMNFYMLXOXONU-SFHVURJKSA-N 2 1 274.452 3.460 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(C)c1 ZINC001206304366 813279664 /nfs/dbraw/zinc/27/96/64/813279664.db2.gz JHQFFDKJBHCNCN-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP Cc1ccc2nc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)ccc2c1 ZINC001206304966 813281398 /nfs/dbraw/zinc/28/13/98/813281398.db2.gz SEOJJDHOCCMHMK-IBGZPJMESA-N 2 1 297.446 3.494 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001206305215 813281824 /nfs/dbraw/zinc/28/18/24/813281824.db2.gz WELMRTBTFPYHGR-KRWDZBQOSA-N 2 1 271.408 3.119 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cs1 ZINC001206304664 813282294 /nfs/dbraw/zinc/28/22/94/813282294.db2.gz NPBRJOLXDDXIRY-HNNXBMFYSA-N 2 1 281.469 3.217 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2csc(Cl)c2)CC1 ZINC001206311739 813284179 /nfs/dbraw/zinc/28/41/79/813284179.db2.gz TYNUOGYIOHCLEK-ZDUSSCGKSA-N 2 1 272.845 3.352 20 0 CGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206317084 813286936 /nfs/dbraw/zinc/28/69/36/813286936.db2.gz CLVDAJLMSYCNNJ-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001206318798 813287902 /nfs/dbraw/zinc/28/79/02/813287902.db2.gz UMGSMKCOAJONKS-IBGZPJMESA-N 2 1 297.446 3.428 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1F ZINC001206324838 813288775 /nfs/dbraw/zinc/28/87/75/813288775.db2.gz DQIQICIROKHCPG-QGZVFWFLSA-N 2 1 294.414 3.175 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC001206326523 813289696 /nfs/dbraw/zinc/28/96/96/813289696.db2.gz ORDQFJMNVNWAOR-QGZVFWFLSA-N 2 1 272.392 3.384 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cs1 ZINC001206336308 813293703 /nfs/dbraw/zinc/29/37/03/813293703.db2.gz LJPFEALAALZEHL-AWEZNQCLSA-N 2 1 252.427 3.007 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(C)c1 ZINC001206556222 813352817 /nfs/dbraw/zinc/35/28/17/813352817.db2.gz OTYNSWLLAJTVHX-GOSISDBHSA-N 2 1 290.451 3.263 20 0 CGADMP CC(C)[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CCC[NH2+]CC1 ZINC001206581037 813363038 /nfs/dbraw/zinc/36/30/38/813363038.db2.gz HJHZJJCTCSFSLY-YVSFHVDLSA-N 2 1 262.441 3.051 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2c1NCC2)[C@H]1CCC[NH2+]CC1 ZINC001206599061 813370199 /nfs/dbraw/zinc/37/01/99/813370199.db2.gz NBOISCGNXQJGAD-KRWDZBQOSA-N 2 1 287.451 3.007 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001206615152 813375301 /nfs/dbraw/zinc/37/53/01/813375301.db2.gz DGQDPOMIDXXJMI-GFCCVEGCSA-N 2 1 291.826 3.382 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206767579 813430682 /nfs/dbraw/zinc/43/06/82/813430682.db2.gz BZNAJXNLRVRDLR-HUUCEWRRSA-N 2 1 260.425 3.369 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1C(C)C ZINC001206769699 813432410 /nfs/dbraw/zinc/43/24/10/813432410.db2.gz PJFQKMLPSVOYRU-HOCLYGCPSA-N 2 1 290.451 3.378 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207282722 813533743 /nfs/dbraw/zinc/53/37/43/813533743.db2.gz NEHYAIGWRJWBSZ-KRWDZBQOSA-N 2 1 290.451 3.420 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCOC(C)(C)C2)CC1 ZINC001207357985 813550973 /nfs/dbraw/zinc/55/09/73/813550973.db2.gz NZDYDHOZTKNNNN-QGZVFWFLSA-N 2 1 296.499 3.244 20 0 CGADMP C[NH+]1CCC(C[N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001207398606 813556489 /nfs/dbraw/zinc/55/64/89/813556489.db2.gz CFQNDDWJPWIFAA-UHFFFAOYSA-N 2 1 270.420 3.118 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2c(F)cccc2F)CC1 ZINC001207399614 813557307 /nfs/dbraw/zinc/55/73/07/813557307.db2.gz PFCOJQFQFJDZPW-INIZCTEOSA-N 2 1 294.389 3.444 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207487003 813574639 /nfs/dbraw/zinc/57/46/39/813574639.db2.gz QAFJNOOHWSIJBA-HNNXBMFYSA-N 2 1 290.451 3.420 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001207489278 813574796 /nfs/dbraw/zinc/57/47/96/813574796.db2.gz YECQNQBZPJNFCS-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP CS[C@H](C)CC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001208143633 813707675 /nfs/dbraw/zinc/70/76/75/813707675.db2.gz SOPKMMUSKNUXEE-OAHLLOKOSA-N 2 1 296.524 3.468 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001208160130 813717196 /nfs/dbraw/zinc/71/71/96/813717196.db2.gz FVPGBBAMPZDZMW-CABCVRRESA-N 2 1 250.430 3.005 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001208160130 813717201 /nfs/dbraw/zinc/71/72/01/813717201.db2.gz FVPGBBAMPZDZMW-CABCVRRESA-N 2 1 250.430 3.005 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208219469 813749545 /nfs/dbraw/zinc/74/95/45/813749545.db2.gz PNXXODRFJKTNST-YESZJQIVSA-N 2 1 296.499 3.101 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001208219469 813749550 /nfs/dbraw/zinc/74/95/50/813749550.db2.gz PNXXODRFJKTNST-YESZJQIVSA-N 2 1 296.499 3.101 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001208219469 813749557 /nfs/dbraw/zinc/74/95/57/813749557.db2.gz PNXXODRFJKTNST-YESZJQIVSA-N 2 1 296.499 3.101 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001208592919 813769755 /nfs/dbraw/zinc/76/97/55/813769755.db2.gz MFQAESOYPQDLNN-HNNXBMFYSA-N 2 1 272.436 3.338 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC001208601948 813770663 /nfs/dbraw/zinc/77/06/63/813770663.db2.gz UMHOGJWSTKNABW-HNNXBMFYSA-N 2 1 272.436 3.165 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCCc2ccccc2)CC1 ZINC001208599748 813771443 /nfs/dbraw/zinc/77/14/43/813771443.db2.gz LPPANKSHDKUNRL-UHFFFAOYSA-N 2 1 274.452 3.283 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001208603253 813771533 /nfs/dbraw/zinc/77/15/33/813771533.db2.gz XQFIOFAZANWUJE-IAGOWNOFSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612645 813775057 /nfs/dbraw/zinc/77/50/57/813775057.db2.gz MYYNSJZJPMKPRG-GOEBONIOSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612645 813775064 /nfs/dbraw/zinc/77/50/64/813775064.db2.gz MYYNSJZJPMKPRG-GOEBONIOSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612645 813775072 /nfs/dbraw/zinc/77/50/72/813775072.db2.gz MYYNSJZJPMKPRG-GOEBONIOSA-N 2 1 292.854 3.471 20 0 CGADMP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@@H](CN(Cc3ccco3)C2)C1 ZINC001208728324 813817407 /nfs/dbraw/zinc/81/74/07/813817407.db2.gz RKSXLJDKUCSRTN-VYRCICMXSA-N 2 1 288.435 3.390 20 0 CGADMP CC/C=C\CC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001208728324 813817414 /nfs/dbraw/zinc/81/74/14/813817414.db2.gz RKSXLJDKUCSRTN-VYRCICMXSA-N 2 1 288.435 3.390 20 0 CGADMP CC/C=C\CC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001208728324 813817423 /nfs/dbraw/zinc/81/74/23/813817423.db2.gz RKSXLJDKUCSRTN-VYRCICMXSA-N 2 1 288.435 3.390 20 0 CGADMP CC/C=C\CC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001208728324 813817430 /nfs/dbraw/zinc/81/74/30/813817430.db2.gz RKSXLJDKUCSRTN-VYRCICMXSA-N 2 1 288.435 3.390 20 0 CGADMP CC/C=C\CC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001208728324 813817435 /nfs/dbraw/zinc/81/74/35/813817435.db2.gz RKSXLJDKUCSRTN-VYRCICMXSA-N 2 1 288.435 3.390 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208774208 813840404 /nfs/dbraw/zinc/84/04/04/813840404.db2.gz APLXKMLSJXZLHR-UHFFFAOYSA-N 2 1 290.426 3.317 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208774208 813840414 /nfs/dbraw/zinc/84/04/14/813840414.db2.gz APLXKMLSJXZLHR-UHFFFAOYSA-N 2 1 290.426 3.317 20 0 CGADMP C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927719 813902335 /nfs/dbraw/zinc/90/23/35/813902335.db2.gz DLIDLFQVJWIHTH-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927719 813902339 /nfs/dbraw/zinc/90/23/39/813902339.db2.gz DLIDLFQVJWIHTH-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927719 813902342 /nfs/dbraw/zinc/90/23/42/813902342.db2.gz DLIDLFQVJWIHTH-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927719 813902347 /nfs/dbraw/zinc/90/23/47/813902347.db2.gz DLIDLFQVJWIHTH-AEFFLSMTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208930447 813904259 /nfs/dbraw/zinc/90/42/59/813904259.db2.gz BFUYLTNNLSKQPY-SJLPKXTDSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208930447 813904263 /nfs/dbraw/zinc/90/42/63/813904263.db2.gz BFUYLTNNLSKQPY-SJLPKXTDSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208930447 813904266 /nfs/dbraw/zinc/90/42/66/813904266.db2.gz BFUYLTNNLSKQPY-SJLPKXTDSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208932027 813904366 /nfs/dbraw/zinc/90/43/66/813904366.db2.gz NDLZAAQQMFWLIH-NXHRZFHOSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208932027 813904369 /nfs/dbraw/zinc/90/43/69/813904369.db2.gz NDLZAAQQMFWLIH-NXHRZFHOSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208932027 813904371 /nfs/dbraw/zinc/90/43/71/813904371.db2.gz NDLZAAQQMFWLIH-NXHRZFHOSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208932027 813904375 /nfs/dbraw/zinc/90/43/75/813904375.db2.gz NDLZAAQQMFWLIH-NXHRZFHOSA-N 2 1 290.426 3.188 20 0 CGADMP C[C@]1(CF)CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940357 813904670 /nfs/dbraw/zinc/90/46/70/813904670.db2.gz BUVIOLMYCUWZJX-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@]1(CF)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940357 813904676 /nfs/dbraw/zinc/90/46/76/813904676.db2.gz BUVIOLMYCUWZJX-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP C[C@]1(CF)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940357 813904681 /nfs/dbraw/zinc/90/46/81/813904681.db2.gz BUVIOLMYCUWZJX-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP CC1(C)[C@@H]2C[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208938682 813904947 /nfs/dbraw/zinc/90/49/47/813904947.db2.gz DCOXSKONXXQPCL-GBESFXJTSA-N 2 1 298.474 3.486 20 0 CGADMP CC1(C)[C@@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208938682 813904952 /nfs/dbraw/zinc/90/49/52/813904952.db2.gz DCOXSKONXXQPCL-GBESFXJTSA-N 2 1 298.474 3.486 20 0 CGADMP CC1(C)[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208938682 813904955 /nfs/dbraw/zinc/90/49/55/813904955.db2.gz DCOXSKONXXQPCL-GBESFXJTSA-N 2 1 298.474 3.486 20 0 CGADMP FC1(F)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949536 813907295 /nfs/dbraw/zinc/90/72/95/813907295.db2.gz WYCGVWNONIIQEF-MRXNPFEDSA-N 2 1 294.389 3.240 20 0 CGADMP FC1(F)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949536 813907301 /nfs/dbraw/zinc/90/73/01/813907301.db2.gz WYCGVWNONIIQEF-MRXNPFEDSA-N 2 1 294.389 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC4(C3)CCCC4)C2)cc1 ZINC001208943872 813908932 /nfs/dbraw/zinc/90/89/32/813908932.db2.gz VXKVZPGROGSWSG-SFHVURJKSA-N 2 1 284.447 3.385 20 0 CGADMP C[C@H]1C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957864 813911527 /nfs/dbraw/zinc/91/15/27/813911527.db2.gz MMFRMTKUOCTMSL-AEFFLSMTSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957864 813911534 /nfs/dbraw/zinc/91/15/34/813911534.db2.gz MMFRMTKUOCTMSL-AEFFLSMTSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957864 813911540 /nfs/dbraw/zinc/91/15/40/813911540.db2.gz MMFRMTKUOCTMSL-AEFFLSMTSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208957864 813911545 /nfs/dbraw/zinc/91/15/45/813911545.db2.gz MMFRMTKUOCTMSL-AEFFLSMTSA-N 2 1 284.447 3.383 20 0 CGADMP F[C@H]1CCC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209450335 814047719 /nfs/dbraw/zinc/04/77/19/814047719.db2.gz GLPKXCSAGHKXCO-INIZCTEOSA-N 2 1 282.447 3.467 20 0 CGADMP Nc1cc[nH+]cc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001209729573 814122326 /nfs/dbraw/zinc/12/23/26/814122326.db2.gz OHVDAOCKRDNJOC-UHFFFAOYSA-N 2 1 291.398 3.055 20 0 CGADMP Cc1ccc(-c2cccc(C[NH+]3CC(C[NH3+])C3)c2)cc1 ZINC001210542781 814517181 /nfs/dbraw/zinc/51/71/81/814517181.db2.gz AFNYWOMLFVXNST-UHFFFAOYSA-N 2 1 266.388 3.053 20 0 CGADMP c1cn2cc(NC3=CC[C@H]([NH+]4CCCC4)CC3)ccc2[nH+]1 ZINC001210705748 814589345 /nfs/dbraw/zinc/58/93/45/814589345.db2.gz QAVTVXZXYRNONS-INIZCTEOSA-N 2 1 282.391 3.278 20 0 CGADMP Cc1cnccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222162065 816365282 /nfs/dbraw/zinc/36/52/82/816365282.db2.gz XCYFUBZGHULPFN-SFHVURJKSA-N 2 1 287.451 3.136 20 0 CGADMP Oc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161387 816366589 /nfs/dbraw/zinc/36/65/89/816366589.db2.gz NHEXRBLIFIXDCP-SFHVURJKSA-N 2 1 288.435 3.138 20 0 CGADMP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265305 816390628 /nfs/dbraw/zinc/39/06/28/816390628.db2.gz QYEJAUAYERJNBM-SFHVURJKSA-N 2 1 283.419 3.134 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265305 816390636 /nfs/dbraw/zinc/39/06/36/816390636.db2.gz QYEJAUAYERJNBM-SFHVURJKSA-N 2 1 283.419 3.134 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c(C)s1 ZINC001222293539 816399547 /nfs/dbraw/zinc/39/95/47/816399547.db2.gz WQPUHJJWIRDCBW-UHFFFAOYSA-N 2 1 278.465 3.473 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316751 816407624 /nfs/dbraw/zinc/40/76/24/816407624.db2.gz XXPMNBFITTVFAP-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320708 816408846 /nfs/dbraw/zinc/40/88/46/816408846.db2.gz LLIATONFIIPRBX-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222320287 816409048 /nfs/dbraw/zinc/40/90/48/816409048.db2.gz GBNPITYXILRXQE-SFHVURJKSA-N 2 1 289.467 3.420 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC001222400818 816433444 /nfs/dbraw/zinc/43/34/44/816433444.db2.gz JBUYXKWQSLTBNC-UHFFFAOYSA-N 2 1 258.409 3.302 20 0 CGADMP COc1cc(C)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242980358 823197674 /nfs/dbraw/zinc/19/76/74/823197674.db2.gz ZXEYVXGBVRBZSW-UHFFFAOYSA-N 2 1 293.370 3.005 20 0 CGADMP CC/C=C\CCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222464739 816450090 /nfs/dbraw/zinc/45/00/90/816450090.db2.gz DVYNKRVOFTZFBU-QGZUEGPWSA-N 2 1 250.430 3.341 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222464739 816450094 /nfs/dbraw/zinc/45/00/94/816450094.db2.gz DVYNKRVOFTZFBU-QGZUEGPWSA-N 2 1 250.430 3.341 20 0 CGADMP c1ccc(C2(C[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)CCCC2)cc1 ZINC001222465790 816451342 /nfs/dbraw/zinc/45/13/42/816451342.db2.gz YVPWDTICZAMTSF-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@]4(CCC[NH2+]4)C3)CCCC2)cc1 ZINC001222465790 816451349 /nfs/dbraw/zinc/45/13/49/816451349.db2.gz YVPWDTICZAMTSF-LJQANCHMSA-N 2 1 284.447 3.326 20 0 CGADMP CC/C=C\CC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595582 816474822 /nfs/dbraw/zinc/47/48/22/816474822.db2.gz DEQSMKLZQMJXHI-LIMHQNJXSA-N 2 1 270.420 3.032 20 0 CGADMP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222615198 816478860 /nfs/dbraw/zinc/47/88/60/816478860.db2.gz MXEGDEYULMDEHW-NXNVCVFFSA-N 2 1 290.838 3.127 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620472 816480826 /nfs/dbraw/zinc/48/08/26/816480826.db2.gz UKQGZLDCHZPAQL-DOTOQJQBSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001231877365 818197432 /nfs/dbraw/zinc/19/74/32/818197432.db2.gz CBIJXFGVYDFIMX-SJLPKXTDSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001231877365 818197435 /nfs/dbraw/zinc/19/74/35/818197435.db2.gz CBIJXFGVYDFIMX-SJLPKXTDSA-N 2 1 272.436 3.194 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3c2CCCC3)CC1 ZINC001232640549 818409264 /nfs/dbraw/zinc/40/92/64/818409264.db2.gz OYJLVWBDIKTQOQ-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3c2CCCC3)CC1 ZINC001232640549 818409266 /nfs/dbraw/zinc/40/92/66/818409266.db2.gz OYJLVWBDIKTQOQ-UHFFFAOYSA-N 2 1 286.463 3.482 20 0 CGADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1O ZINC001233233327 818546388 /nfs/dbraw/zinc/54/63/88/818546388.db2.gz FNYDKHAIQHVNSB-UHFFFAOYSA-N 2 1 290.451 3.253 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031178 818985017 /nfs/dbraw/zinc/98/50/17/818985017.db2.gz DGRQYQSMKANMJL-KRWDZBQOSA-N 2 1 286.444 3.395 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C)c1Cl ZINC001235034453 818985178 /nfs/dbraw/zinc/98/51/78/818985178.db2.gz YNXLAXLDSITNSR-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C)c1Cl ZINC001235034453 818985181 /nfs/dbraw/zinc/98/51/81/818985181.db2.gz YNXLAXLDSITNSR-INIZCTEOSA-N 2 1 278.827 3.142 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042267 818988713 /nfs/dbraw/zinc/98/87/13/818988713.db2.gz XJDSRHCSIXQLIP-GOSISDBHSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC001235094823 819001633 /nfs/dbraw/zinc/00/16/33/819001633.db2.gz LXSSDHWADGLAMC-UHFFFAOYSA-N 2 1 296.817 3.363 20 0 CGADMP C[C@@H](CC[NH+]1CCC2(CC[NH2+]2)CC1)CC(C)(C)C ZINC001235106106 819003802 /nfs/dbraw/zinc/00/38/02/819003802.db2.gz LNBNLYBTDBAJFN-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235140738 819015516 /nfs/dbraw/zinc/01/55/16/819015516.db2.gz LTQRKZYXLBTLHX-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)CCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152476 819018065 /nfs/dbraw/zinc/01/80/65/819018065.db2.gz OAWOEYZPXGLNFY-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235151842 819018513 /nfs/dbraw/zinc/01/85/13/819018513.db2.gz CBLWUVCARNMEBK-QGZVFWFLSA-N 2 1 276.399 3.180 20 0 CGADMP c1cnc2cccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c2c1 ZINC001235169834 819022478 /nfs/dbraw/zinc/02/24/78/819022478.db2.gz ZBPFKTHABBQXDA-LJQANCHMSA-N 2 1 295.430 3.343 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c2c1 ZINC001235169834 819022482 /nfs/dbraw/zinc/02/24/82/819022482.db2.gz ZBPFKTHABBQXDA-LJQANCHMSA-N 2 1 295.430 3.343 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c(F)c1 ZINC001235190701 819029630 /nfs/dbraw/zinc/02/96/30/819029630.db2.gz ZNRJVXWVNFKCNQ-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(F)c1 ZINC001235190701 819029638 /nfs/dbraw/zinc/02/96/38/819029638.db2.gz ZNRJVXWVNFKCNQ-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP C[C@@H](C[N@H+]1CCCCC12CC[NH2+]CC2)c1ccccc1 ZINC001235191033 819030222 /nfs/dbraw/zinc/03/02/22/819030222.db2.gz NZWKOMCEIDCLDY-INIZCTEOSA-N 2 1 272.436 3.398 20 0 CGADMP COc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1C ZINC001235190459 819030608 /nfs/dbraw/zinc/03/06/08/819030608.db2.gz ILXSVJIDMJHJAE-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC001235192498 819031544 /nfs/dbraw/zinc/03/15/44/819031544.db2.gz BWRJKQTUQXZFIJ-NVXWUHKLSA-N 2 1 280.415 3.190 20 0 CGADMP Fc1ccc(CC[N@H+]2CCCCC23CC[NH2+]CC3)cc1F ZINC001235191950 819032323 /nfs/dbraw/zinc/03/23/23/819032323.db2.gz ZKJOMBXLKJYWHN-UHFFFAOYSA-N 2 1 294.389 3.115 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209386 819036875 /nfs/dbraw/zinc/03/68/75/819036875.db2.gz NSTJYUIMPHQMMQ-OAGGEKHMSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC001235210603 819036997 /nfs/dbraw/zinc/03/69/97/819036997.db2.gz OLUIYJKCVDHIDJ-WNRNVDISSA-N 2 1 274.452 3.348 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210046 819037143 /nfs/dbraw/zinc/03/71/43/819037143.db2.gz JIQDJXMARNSBFG-VIBAHUMZSA-N 2 1 286.463 3.052 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001235240092 819044013 /nfs/dbraw/zinc/04/40/13/819044013.db2.gz MMHQNSKANIFMSZ-MUIFIZLQSA-N 2 1 290.838 3.257 20 0 CGADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3CC2CCC2)cc1 ZINC001235247253 819047591 /nfs/dbraw/zinc/04/75/91/819047591.db2.gz CEVVUWBQOYZFKC-QZTJIDSGSA-N 2 1 270.420 3.008 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001235266897 819056949 /nfs/dbraw/zinc/05/69/49/819056949.db2.gz HGWYXXVLYOWYLK-MJGOQNOKSA-N 2 1 286.463 3.413 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235276581 819061134 /nfs/dbraw/zinc/06/11/34/819061134.db2.gz ZOIMSDKTCPUFTK-RDJZCZTQSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235276581 819061143 /nfs/dbraw/zinc/06/11/43/819061143.db2.gz ZOIMSDKTCPUFTK-RDJZCZTQSA-N 2 1 288.435 3.048 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339195 819070949 /nfs/dbraw/zinc/07/09/49/819070949.db2.gz DYBWASURJYLEPC-ZDUSSCGKSA-N 2 1 286.444 3.251 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c2ccccc12 ZINC001235342161 819071747 /nfs/dbraw/zinc/07/17/47/819071747.db2.gz UEHAEOJJLXWPPD-OAHLLOKOSA-N 2 1 280.415 3.190 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235340475 819071777 /nfs/dbraw/zinc/07/17/77/819071777.db2.gz JSQWGBCNZZMJPX-HNNXBMFYSA-N 2 1 272.436 3.025 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)cc2)cc1 ZINC001235340861 819072101 /nfs/dbraw/zinc/07/21/01/819072101.db2.gz MYCTXGAEEKKEMU-LJQANCHMSA-N 2 1 292.426 3.395 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235340702 819072661 /nfs/dbraw/zinc/07/26/61/819072661.db2.gz LFLHKQCRDLMTTH-KRWDZBQOSA-N 2 1 292.426 3.395 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C2 ZINC001235426307 819092439 /nfs/dbraw/zinc/09/24/39/819092439.db2.gz OQRMXXNCBGJRMH-WOJBJXKFSA-N 2 1 298.474 3.113 20 0 CGADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235426642 819093458 /nfs/dbraw/zinc/09/34/58/819093458.db2.gz OWUZLSRNMPDSGB-SJORKVTESA-N 2 1 290.451 3.232 20 0 CGADMP C[N@H+](Cc1ccccc1OC(C)(C)C)CC1CC[NH2+]CC1 ZINC001235432170 819096518 /nfs/dbraw/zinc/09/65/18/819096518.db2.gz KPYIGFYBKCGWCG-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1sc(Cl)c2ccccc21 ZINC001235441466 819099595 /nfs/dbraw/zinc/09/95/95/819099595.db2.gz JYAGVJPXNJHIQC-UHFFFAOYSA-N 2 1 268.813 3.335 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001235445681 819101607 /nfs/dbraw/zinc/10/16/07/819101607.db2.gz SUFHUQUDWWBLFB-MRXNPFEDSA-N 2 1 276.399 3.224 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235672824 819134085 /nfs/dbraw/zinc/13/40/85/819134085.db2.gz HNGMETQLXSJKAF-OAHLLOKOSA-N 2 1 298.430 3.409 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235675306 819134958 /nfs/dbraw/zinc/13/49/58/819134958.db2.gz VMCFPIIXCXAKIY-KRWDZBQOSA-N 2 1 260.425 3.070 20 0 CGADMP CC(C)[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)CC1CC1 ZINC001235695675 819144882 /nfs/dbraw/zinc/14/48/82/819144882.db2.gz YSFRHRMCMNJUEQ-UHFFFAOYSA-N 2 1 297.446 3.365 20 0 CGADMP CC1(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)CC[NH2+]CC1 ZINC001235713952 819148121 /nfs/dbraw/zinc/14/81/21/819148121.db2.gz IGESTZSCRSZGLQ-INIZCTEOSA-N 2 1 294.389 3.491 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711228 819148134 /nfs/dbraw/zinc/14/81/34/819148134.db2.gz NLEBVNGMYYGDMD-ARJAWSKDSA-N 2 1 250.430 3.198 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711551 819148658 /nfs/dbraw/zinc/14/86/58/819148658.db2.gz QSQZNHFZLQLSJT-INIZCTEOSA-N 2 1 264.457 3.444 20 0 CGADMP C[N@@H+](CCCc1cccc(F)c1)CCC1CC[NH2+]CC1 ZINC001235712800 819149188 /nfs/dbraw/zinc/14/91/88/819149188.db2.gz CJXXDZHMDXRJOJ-UHFFFAOYSA-N 2 1 278.415 3.080 20 0 CGADMP COc1cc(Cl)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717615 819151915 /nfs/dbraw/zinc/15/19/15/819151915.db2.gz WINQZIQAHVPXBL-UHFFFAOYSA-N 2 1 296.842 3.170 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235724794 819153755 /nfs/dbraw/zinc/15/37/55/819153755.db2.gz JLFBEGFEQZVJLE-QAPCUYQASA-N 2 1 274.452 3.412 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235724794 819153758 /nfs/dbraw/zinc/15/37/58/819153758.db2.gz JLFBEGFEQZVJLE-QAPCUYQASA-N 2 1 274.452 3.412 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235726261 819154919 /nfs/dbraw/zinc/15/49/19/819154919.db2.gz VDBSZKBMVDOQKT-CABCVRRESA-N 2 1 270.461 3.031 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC001235726261 819154921 /nfs/dbraw/zinc/15/49/21/819154921.db2.gz VDBSZKBMVDOQKT-CABCVRRESA-N 2 1 270.461 3.031 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2CCCCC[NH3+])c1 ZINC001235726636 819155248 /nfs/dbraw/zinc/15/52/48/819155248.db2.gz NVGNLPYKBKZTQM-KRWDZBQOSA-N 2 1 276.424 3.351 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC001235750651 819160311 /nfs/dbraw/zinc/16/03/11/819160311.db2.gz RCDDCXKBKFAFIX-KRWDZBQOSA-N 2 1 280.415 3.443 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)c1 ZINC001235750652 819160548 /nfs/dbraw/zinc/16/05/48/819160548.db2.gz RCDDCXKBKFAFIX-QGZVFWFLSA-N 2 1 280.415 3.443 20 0 CGADMP CCc1cccc2c(C[N@H+](CC)C3CC[NH2+]CC3)c[nH]c21 ZINC001235761676 819162072 /nfs/dbraw/zinc/16/20/72/819162072.db2.gz OKFOIVXSUXYHBE-UHFFFAOYSA-N 2 1 285.435 3.304 20 0 CGADMP CC1(C[N@H+]2CCSC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC001235808389 819172226 /nfs/dbraw/zinc/17/22/26/819172226.db2.gz CKVKDROAEOCMPK-INIZCTEOSA-N 2 1 290.476 3.166 20 0 CGADMP c1ccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235808356 819172420 /nfs/dbraw/zinc/17/24/20/819172420.db2.gz BGHQJOAAIHMXAP-IRXDYDNUSA-N 2 1 290.476 3.309 20 0 CGADMP c1ccc([C@@H]2CSCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235808356 819172422 /nfs/dbraw/zinc/17/24/22/819172422.db2.gz BGHQJOAAIHMXAP-IRXDYDNUSA-N 2 1 290.476 3.309 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841930 819183428 /nfs/dbraw/zinc/18/34/28/819183428.db2.gz KAPADJWTVSDPBH-NSHDSACASA-N 2 1 287.234 3.343 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841930 819183433 /nfs/dbraw/zinc/18/34/33/819183433.db2.gz KAPADJWTVSDPBH-NSHDSACASA-N 2 1 287.234 3.343 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235842633 819185247 /nfs/dbraw/zinc/18/52/47/819185247.db2.gz QGCIOOIKGLQJMO-NSHDSACASA-N 2 1 287.234 3.077 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235892447 819202024 /nfs/dbraw/zinc/20/20/24/819202024.db2.gz QVNAOCJRCRNHMM-HZPDHXFCSA-N 2 1 298.471 3.092 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]3CCC[C@@H]31)CC[NH2+]C2 ZINC001235894192 819204392 /nfs/dbraw/zinc/20/43/92/819204392.db2.gz VHLIXJHSBSTTMI-YJBOKZPZSA-N 2 1 270.420 3.097 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001235894444 819204451 /nfs/dbraw/zinc/20/44/51/819204451.db2.gz WYQTXNJJLIFURW-HOTGVXAUSA-N 2 1 262.441 3.031 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925205 819223227 /nfs/dbraw/zinc/22/32/27/819223227.db2.gz FAOGXLOPCCRVOE-AWEZNQCLSA-N 2 1 266.816 3.270 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001235925711 819224188 /nfs/dbraw/zinc/22/41/88/819224188.db2.gz XZAXARFLPJGTIR-ZDUSSCGKSA-N 2 1 260.406 3.215 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929557 819228373 /nfs/dbraw/zinc/22/83/73/819228373.db2.gz RHWYCDOTDSSUNE-QCDWVSHVSA-N 2 1 264.457 3.444 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235930981 819229246 /nfs/dbraw/zinc/22/92/46/819229246.db2.gz YXULMHMRTZLMDH-GVDBMIGSSA-N 2 1 264.457 3.300 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235939113 819233088 /nfs/dbraw/zinc/23/30/88/819233088.db2.gz NVCLPERFKTXERM-QZTJIDSGSA-N 2 1 272.436 3.071 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001235950141 819239410 /nfs/dbraw/zinc/23/94/10/819239410.db2.gz RKHBTMCKQKELOY-AEFFLSMTSA-N 2 1 288.435 3.364 20 0 CGADMP C[N@H+](Cc1cccc(OC(C)(C)C)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235957451 819245334 /nfs/dbraw/zinc/24/53/34/819245334.db2.gz OKMQBWBIJKSWKT-MRXNPFEDSA-N 2 1 290.451 3.295 20 0 CGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])s1 ZINC001235958221 819245816 /nfs/dbraw/zinc/24/58/16/819245816.db2.gz AFHNTNHNCRKHTL-YWVIFJGQSA-N 2 1 278.465 3.260 20 0 CGADMP CCC[N@@H+](Cc1cccc(Br)c1)C[C@H](C)[NH3+] ZINC001235962213 819251266 /nfs/dbraw/zinc/25/12/66/819251266.db2.gz HOMPQEBDNRFGER-NSHDSACASA-N 2 1 285.229 3.008 20 0 CGADMP CCC[N@H+](Cc1cccc(Br)c1)C[C@H](C)[NH3+] ZINC001235962213 819251271 /nfs/dbraw/zinc/25/12/71/819251271.db2.gz HOMPQEBDNRFGER-NSHDSACASA-N 2 1 285.229 3.008 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980953 819256658 /nfs/dbraw/zinc/25/66/58/819256658.db2.gz SOWSDAFNDRMSOP-HIFRSBDPSA-N 2 1 298.352 3.061 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980953 819256663 /nfs/dbraw/zinc/25/66/63/819256663.db2.gz SOWSDAFNDRMSOP-HIFRSBDPSA-N 2 1 298.352 3.061 20 0 CGADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1)c1cccc2ccccc21 ZINC001235977678 819257158 /nfs/dbraw/zinc/25/71/58/819257158.db2.gz HNUHXGOBDKPZEB-ALKREAHSSA-N 2 1 280.415 3.366 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236046458 819283635 /nfs/dbraw/zinc/28/36/35/819283635.db2.gz GQRAWUXJDLYJDJ-YPMHNXCESA-N 2 1 274.433 3.379 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236046458 819283641 /nfs/dbraw/zinc/28/36/41/819283641.db2.gz GQRAWUXJDLYJDJ-YPMHNXCESA-N 2 1 274.433 3.379 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236046456 819284226 /nfs/dbraw/zinc/28/42/26/819284226.db2.gz GQRAWUXJDLYJDJ-DGCLKSJQSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236046456 819284231 /nfs/dbraw/zinc/28/42/31/819284231.db2.gz GQRAWUXJDLYJDJ-DGCLKSJQSA-N 2 1 274.433 3.379 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236065537 819297309 /nfs/dbraw/zinc/29/73/09/819297309.db2.gz AZILTSIBMFXYPN-HXUWFJFHSA-N 2 1 294.442 3.319 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)s1 ZINC001236068168 819298184 /nfs/dbraw/zinc/29/81/84/819298184.db2.gz UNBOIABCMRHXKO-ZDUSSCGKSA-N 2 1 266.454 3.132 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C(C)C)c(OC)cc2C)C1 ZINC001236066337 819298290 /nfs/dbraw/zinc/29/82/90/819298290.db2.gz HRIJGLVMKDTBFV-OAHLLOKOSA-N 2 1 290.451 3.168 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@H](C)CCC=C(C)C)C1 ZINC001236065991 819298786 /nfs/dbraw/zinc/29/87/86/819298786.db2.gz FHNLJIIPIAAKQD-CVEARBPZSA-N 2 1 252.446 3.300 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC001236079064 819304238 /nfs/dbraw/zinc/30/42/38/819304238.db2.gz OKFXYFKJVOCCOX-UHFFFAOYSA-N 2 1 266.816 3.217 20 0 CGADMP CCC[N@@H+](C[C@H]1CCC(C)=C[C@H]1C)C1CC[NH2+]CC1 ZINC001236180210 819358110 /nfs/dbraw/zinc/35/81/10/819358110.db2.gz CPBKUUXMRHJQMX-HZPDHXFCSA-N 2 1 264.457 3.443 20 0 CGADMP CCC[N@@H+](Cc1ccc(OC)c(C)c1C)C1CC[NH2+]CC1 ZINC001236180126 819358539 /nfs/dbraw/zinc/35/85/39/819358539.db2.gz BATMNBMSWRFRKN-UHFFFAOYSA-N 2 1 290.451 3.276 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c12 ZINC001236204951 819367230 /nfs/dbraw/zinc/36/72/30/819367230.db2.gz DMZYRLMGEFULMH-GOSISDBHSA-N 2 1 283.419 3.117 20 0 CGADMP Cc1ccnc2cccc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c12 ZINC001236204951 819367237 /nfs/dbraw/zinc/36/72/37/819367237.db2.gz DMZYRLMGEFULMH-GOSISDBHSA-N 2 1 283.419 3.117 20 0 CGADMP C[N@H+](Cc1ccc2cccccc1-2)[C@]1(C)CCC[NH2+]C1 ZINC001236206686 819369318 /nfs/dbraw/zinc/36/93/18/819369318.db2.gz KWDICLOMFZPXEY-GOSISDBHSA-N 2 1 268.404 3.365 20 0 CGADMP C[N@@H+](Cc1ccc2cccccc1-2)[C@]1(C)CCC[NH2+]C1 ZINC001236206686 819369321 /nfs/dbraw/zinc/36/93/21/819369321.db2.gz KWDICLOMFZPXEY-GOSISDBHSA-N 2 1 268.404 3.365 20 0 CGADMP C[N@H+](Cc1ccc(OCC(F)F)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213023 819374954 /nfs/dbraw/zinc/37/49/54/819374954.db2.gz NEPXIDRVGFYDMB-GJZGRUSLSA-N 2 1 298.377 3.032 20 0 CGADMP C[N@@H+](Cc1ccc(OCC(F)F)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213023 819374960 /nfs/dbraw/zinc/37/49/60/819374960.db2.gz NEPXIDRVGFYDMB-GJZGRUSLSA-N 2 1 298.377 3.032 20 0 CGADMP C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213220 819375732 /nfs/dbraw/zinc/37/57/32/819375732.db2.gz AMKRQCKUOCFITC-ZWKOTPCHSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213220 819375739 /nfs/dbraw/zinc/37/57/39/819375739.db2.gz AMKRQCKUOCFITC-ZWKOTPCHSA-N 2 1 283.419 3.179 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215394 819377350 /nfs/dbraw/zinc/37/73/50/819377350.db2.gz HRGCSCJFOYHKPM-ROUUACIJSA-N 2 1 290.451 3.484 20 0 CGADMP Cc1ccc(OC(C)C)cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215394 819377359 /nfs/dbraw/zinc/37/73/59/819377359.db2.gz HRGCSCJFOYHKPM-ROUUACIJSA-N 2 1 290.451 3.484 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236216862 819382483 /nfs/dbraw/zinc/38/24/83/819382483.db2.gz LLZUYEOWRXUZPH-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236216862 819382488 /nfs/dbraw/zinc/38/24/88/819382488.db2.gz LLZUYEOWRXUZPH-LSDHHAIUSA-N 2 1 266.816 3.350 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])s1 ZINC001236217764 819384424 /nfs/dbraw/zinc/38/44/24/819384424.db2.gz QECMGUJSMKJLME-CABCVRRESA-N 2 1 266.454 3.402 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])s1 ZINC001236217764 819384432 /nfs/dbraw/zinc/38/44/32/819384432.db2.gz QECMGUJSMKJLME-CABCVRRESA-N 2 1 266.454 3.402 20 0 CGADMP CCc1cc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc(CC)c1O ZINC001236220941 819388507 /nfs/dbraw/zinc/38/85/07/819388507.db2.gz AGKKGDWXAPKUJS-QAQDUYKDSA-N 2 1 290.451 3.219 20 0 CGADMP C[N@@H+](CCCC1CCCCC1)C1(C)CC[NH2+]CC1 ZINC001236224272 819388929 /nfs/dbraw/zinc/38/89/29/819388929.db2.gz SFMSLARKBIVYCC-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CCOc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1Cl ZINC001236227015 819392405 /nfs/dbraw/zinc/39/24/05/819392405.db2.gz XHVSASMXOSMSTQ-UHFFFAOYSA-N 2 1 296.842 3.313 20 0 CGADMP C(C[N@H+]1CCC[C@H]2CCCC[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC001236306688 819417200 /nfs/dbraw/zinc/41/72/00/819417200.db2.gz BFMCRHMQIGPENE-OAGGEKHMSA-N 2 1 250.430 3.031 20 0 CGADMP c1cc2c(cc1C[N@H+]1CC[C@H]3CCCC[C@@H]3C1)CC[NH2+]C2 ZINC001236306872 819417486 /nfs/dbraw/zinc/41/74/86/819417486.db2.gz FSZBZAAJIPKTBA-VQIMIIECSA-N 2 1 284.447 3.344 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1C ZINC001236320095 819422871 /nfs/dbraw/zinc/42/28/71/819422871.db2.gz BIAKOXMDOMCYLC-IYBDPMFKSA-N 2 1 292.854 3.388 20 0 CGADMP c1c(C[N@H+]2CCCC3(CCC3)C2)sc2c1C[NH2+]CC2 ZINC001236322260 819424402 /nfs/dbraw/zinc/42/44/02/819424402.db2.gz LYNUBKCUUJKXAH-UHFFFAOYSA-N 2 1 276.449 3.160 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236349658 819431203 /nfs/dbraw/zinc/43/12/03/819431203.db2.gz AJWVPTIANXMYGM-XQQFMLRXSA-N 2 1 280.378 3.414 20 0 CGADMP c1csc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236373418 819442888 /nfs/dbraw/zinc/44/28/88/819442888.db2.gz HNZWYRNXKVWQKY-AWEZNQCLSA-N 2 1 278.465 3.492 20 0 CGADMP Cc1c[nH]c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1C ZINC001236376575 819443167 /nfs/dbraw/zinc/44/31/67/819443167.db2.gz TYXYNQYNXOOQEE-MRXNPFEDSA-N 2 1 289.467 3.376 20 0 CGADMP CCCCOc1cccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)c1 ZINC001236408051 819455547 /nfs/dbraw/zinc/45/55/47/819455547.db2.gz KMLDVMNVKKJDAZ-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP C[N@H+](Cc1ccc(C2CCCCC2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411879 819459108 /nfs/dbraw/zinc/45/91/08/819459108.db2.gz QDLSRLYFZYCOOF-BWTSREIZSA-N 2 1 284.447 3.384 20 0 CGADMP C[N@@H+](Cc1ccc(C2CCCCC2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411879 819459112 /nfs/dbraw/zinc/45/91/12/819459112.db2.gz QDLSRLYFZYCOOF-BWTSREIZSA-N 2 1 284.447 3.384 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001236415423 819461104 /nfs/dbraw/zinc/46/11/04/819461104.db2.gz OCYUHBMZGFCIQC-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001236415423 819461109 /nfs/dbraw/zinc/46/11/09/819461109.db2.gz OCYUHBMZGFCIQC-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP COc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236439040 819479485 /nfs/dbraw/zinc/47/94/85/819479485.db2.gz DTWFQCHCWLZYEB-UHFFFAOYSA-N 2 1 290.451 3.295 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1cccs1)C1CC[NH2+]CC1 ZINC001236456253 819485260 /nfs/dbraw/zinc/48/52/60/819485260.db2.gz AOQQLAPWVZGADM-UHFFFAOYSA-N 2 1 266.454 3.348 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001236616922 819553130 /nfs/dbraw/zinc/55/31/30/819553130.db2.gz SJAQCYBQADNRCV-HNNXBMFYSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1c(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001236616922 819553134 /nfs/dbraw/zinc/55/31/34/819553134.db2.gz SJAQCYBQADNRCV-HNNXBMFYSA-N 2 1 266.816 3.128 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2cccc3sccc32)CC1 ZINC001236683432 819569934 /nfs/dbraw/zinc/56/99/34/819569934.db2.gz TYIFRDWGOBSDNM-UHFFFAOYSA-N 2 1 274.433 3.427 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767338 819591536 /nfs/dbraw/zinc/59/15/36/819591536.db2.gz HMHUFOAATXWSLE-LXTVHRRPSA-N 2 1 252.446 3.260 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC001236817250 819606631 /nfs/dbraw/zinc/60/66/31/819606631.db2.gz AOCYLIJMNPNIRT-NJZAAPMLSA-N 2 1 299.245 3.205 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1Cl ZINC001236825757 819608143 /nfs/dbraw/zinc/60/81/43/819608143.db2.gz AHUHKYQSRYWFLT-SOUVJXGZSA-N 2 1 278.827 3.126 20 0 CGADMP C[C@H](CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)CC(C)(C)C ZINC001236820377 819608480 /nfs/dbraw/zinc/60/84/80/819608480.db2.gz RNPUFUKZYLKTPS-CBBWQLFWSA-N 2 1 252.446 3.118 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(OC)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236833304 819613533 /nfs/dbraw/zinc/61/35/33/819613533.db2.gz ADHBJDOLFQFFHT-MRXNPFEDSA-N 2 1 290.451 3.134 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236833726 819613566 /nfs/dbraw/zinc/61/35/66/819613566.db2.gz CCWBFSRPSXLXPJ-AWEZNQCLSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cccc(OC(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236833483 819613925 /nfs/dbraw/zinc/61/39/25/819613925.db2.gz CCSJFLFDCNHPQN-KRWDZBQOSA-N 2 1 290.451 3.295 20 0 CGADMP CCC[N@H+](Cc1ccc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236836818 819616401 /nfs/dbraw/zinc/61/64/01/819616401.db2.gz YCWSJEVSYWIGKW-INIZCTEOSA-N 2 1 260.425 3.125 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccccc1C(F)(F)F ZINC001236859778 819625075 /nfs/dbraw/zinc/62/50/75/819625075.db2.gz MPDXZZIZYZGXRI-ZDUSSCGKSA-N 2 1 288.357 3.307 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccccc1C(F)(F)F ZINC001236859778 819625077 /nfs/dbraw/zinc/62/50/77/819625077.db2.gz MPDXZZIZYZGXRI-ZDUSSCGKSA-N 2 1 288.357 3.307 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)ccc2ccccc21 ZINC001236869552 819627324 /nfs/dbraw/zinc/62/73/24/819627324.db2.gz LPCUHMRDGCIIED-HNNXBMFYSA-N 2 1 256.393 3.317 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)ccc2ccccc21 ZINC001236869552 819627327 /nfs/dbraw/zinc/62/73/27/819627327.db2.gz LPCUHMRDGCIIED-HNNXBMFYSA-N 2 1 256.393 3.317 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001237056356 819655514 /nfs/dbraw/zinc/65/55/14/819655514.db2.gz ICXNCLAGWRKYLO-MRXNPFEDSA-N 2 1 280.843 3.333 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237060137 819656308 /nfs/dbraw/zinc/65/63/08/819656308.db2.gz XSPXTQRBRHGIMN-GOSISDBHSA-N 2 1 290.451 3.426 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237078811 819661996 /nfs/dbraw/zinc/66/19/96/819661996.db2.gz RVUGKJUXEXYZKO-CUBALJKWSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237078811 819661999 /nfs/dbraw/zinc/66/19/99/819661999.db2.gz RVUGKJUXEXYZKO-CUBALJKWSA-N 2 1 278.827 3.113 20 0 CGADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001237222238 819703327 /nfs/dbraw/zinc/70/33/27/819703327.db2.gz WRZKCBHLSUJKNI-GOSISDBHSA-N 2 1 287.451 3.109 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001237250988 819710417 /nfs/dbraw/zinc/71/04/17/819710417.db2.gz ZRSHZXYHFCRZRL-LJQANCHMSA-N 2 1 298.405 3.492 20 0 CGADMP [NH3+]CCCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001237264585 819712169 /nfs/dbraw/zinc/71/21/69/819712169.db2.gz JRGAJZKINUKOFH-UHFFFAOYSA-N 2 1 273.207 3.090 20 0 CGADMP [NH3+]CCCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001237264585 819712175 /nfs/dbraw/zinc/71/21/75/819712175.db2.gz JRGAJZKINUKOFH-UHFFFAOYSA-N 2 1 273.207 3.090 20 0 CGADMP Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237395618 819743146 /nfs/dbraw/zinc/74/31/46/819743146.db2.gz YGBGMGCJJILVRW-MAUKXSAKSA-N 2 1 296.414 3.119 20 0 CGADMP COc1ccc(C)c(C[N@@H+](C(C)C)C2CCN(C)CC2)c1 ZINC001237712454 819817764 /nfs/dbraw/zinc/81/77/64/819817764.db2.gz CZGFAMOAKIWJQQ-UHFFFAOYSA-N 2 1 290.451 3.308 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(OCC)c1 ZINC001237922785 819886164 /nfs/dbraw/zinc/88/61/64/819886164.db2.gz IDXPYXJMNKZVLQ-UHFFFAOYSA-N 2 1 296.430 3.388 20 0 CGADMP CC[NH+](CC)Cc1cc(-c2cc[nH+]c(N)c2)ccc1OC ZINC001241175479 821617477 /nfs/dbraw/zinc/61/74/77/821617477.db2.gz CYNANZYCQYVPCV-UHFFFAOYSA-N 2 1 285.391 3.181 20 0 CGADMP COc1ccc(-c2c[nH+]c(N(C)C)cc2C)c(C[NH+](C)C)c1 ZINC001241252704 821674918 /nfs/dbraw/zinc/67/49/18/821674918.db2.gz ZBBHDWPJSRDFLD-UHFFFAOYSA-N 2 1 299.418 3.193 20 0 CGADMP CC[NH+](CC)Cc1cc(OC)ccc1C1=CC[N@@H+](C)CC1 ZINC001241333781 821740781 /nfs/dbraw/zinc/74/07/81/821740781.db2.gz YIPOGUSGFXGEAY-UHFFFAOYSA-N 2 1 288.435 3.256 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@@H]2CCC[NH2+]2)c(F)c1 ZINC001242096061 822350860 /nfs/dbraw/zinc/35/08/60/822350860.db2.gz WWMALSXKYZMNFJ-HNNXBMFYSA-N 2 1 271.339 3.203 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCCC(F)(F)F ZINC001355253795 937132556 /nfs/dbraw/zinc/13/25/56/937132556.db2.gz WEAFZXGJWXJOAJ-LBPRGKRZSA-N 2 1 266.351 3.183 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCCC(F)(F)F ZINC001355253795 937132559 /nfs/dbraw/zinc/13/25/59/937132559.db2.gz WEAFZXGJWXJOAJ-LBPRGKRZSA-N 2 1 266.351 3.183 20 0 CGADMP C[N@H+](Cc1cccc(F)c1Cl)CC1CC[NH+](C)CC1 ZINC000093173484 927276962 /nfs/dbraw/zinc/27/69/62/927276962.db2.gz PNGLYAJDLYTJAI-UHFFFAOYSA-N 2 1 284.806 3.253 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)C1 ZINC001356083088 937152930 /nfs/dbraw/zinc/15/29/30/937152930.db2.gz JLGUVHZTYKWLKY-OWLYRPNTSA-N 2 1 270.420 3.125 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1C ZINC001275444225 928524819 /nfs/dbraw/zinc/52/48/19/928524819.db2.gz NPVHHDYOWPLTDL-MQVJKMGUSA-N 2 1 278.827 3.363 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1C ZINC001275444225 928524827 /nfs/dbraw/zinc/52/48/27/928524827.db2.gz NPVHHDYOWPLTDL-MQVJKMGUSA-N 2 1 278.827 3.363 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1F)C1CC1 ZINC001459835742 937502925 /nfs/dbraw/zinc/50/29/25/937502925.db2.gz KWINZCNJBZFQPP-MRXNPFEDSA-N 2 1 291.345 3.211 20 0 CGADMP CCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001460850661 937548834 /nfs/dbraw/zinc/54/88/34/937548834.db2.gz QTDMAKLEEXPOSE-UHFFFAOYSA-N 2 1 272.436 3.484 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(CC(C)C)s2)C1 ZINC000162184582 931965465 /nfs/dbraw/zinc/96/54/65/931965465.db2.gz JNKOFAONGCTLEE-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(CC(C)C)s2)C1 ZINC000162184582 931965471 /nfs/dbraw/zinc/96/54/71/931965471.db2.gz JNKOFAONGCTLEE-AWEZNQCLSA-N 2 1 295.496 3.163 20 0 CGADMP CCOc1ccc(CC[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC001460919355 937553604 /nfs/dbraw/zinc/55/36/04/937553604.db2.gz RYGPHHZZGLXSPF-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP CCOc1ccc(CC[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001460919355 937553606 /nfs/dbraw/zinc/55/36/06/937553606.db2.gz RYGPHHZZGLXSPF-KRWDZBQOSA-N 2 1 290.451 3.044 20 0 CGADMP C1=C2CCC[N@@H+](CC3CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC000299831793 931985023 /nfs/dbraw/zinc/98/50/23/931985023.db2.gz RWXHLTNBBLVFLY-WJFTUGDTSA-N 2 1 286.463 3.291 20 0 CGADMP C1=C2CCC[N@H+](CC3CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC000299831793 931985032 /nfs/dbraw/zinc/98/50/32/931985032.db2.gz RWXHLTNBBLVFLY-WJFTUGDTSA-N 2 1 286.463 3.291 20 0 CGADMP C1=C2CCC[NH+](CC3CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC000299831793 931985037 /nfs/dbraw/zinc/98/50/37/931985037.db2.gz RWXHLTNBBLVFLY-WJFTUGDTSA-N 2 1 286.463 3.291 20 0 CGADMP C1=C2CCC[NH+](CC3CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC000299831793 931985050 /nfs/dbraw/zinc/98/50/50/931985050.db2.gz RWXHLTNBBLVFLY-WJFTUGDTSA-N 2 1 286.463 3.291 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C(C)C ZINC001461143474 937566049 /nfs/dbraw/zinc/56/60/49/937566049.db2.gz NPRNUMIBHQVQPA-HZPDHXFCSA-N 2 1 252.446 3.299 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C(C)C ZINC001461143474 937566050 /nfs/dbraw/zinc/56/60/50/937566050.db2.gz NPRNUMIBHQVQPA-HZPDHXFCSA-N 2 1 252.446 3.299 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](C)C[C@H]43)oc2cc1C ZINC001461824920 937600031 /nfs/dbraw/zinc/60/00/31/937600031.db2.gz AIHPAWCKJISXLX-BMGDILEWSA-N 2 1 298.430 3.479 20 0 CGADMP Cc1cc2cc(C[NH2+][C@@H]3CC[C@H]4C[N@H+](C)C[C@H]43)oc2cc1C ZINC001461824920 937600032 /nfs/dbraw/zinc/60/00/32/937600032.db2.gz AIHPAWCKJISXLX-BMGDILEWSA-N 2 1 298.430 3.479 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001461904963 937605387 /nfs/dbraw/zinc/60/53/87/937605387.db2.gz SLWXZMXINHLMAQ-RTBURBONSA-N 2 1 286.463 3.454 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3cnccc23)CC1 ZINC001231520142 932679886 /nfs/dbraw/zinc/67/98/86/932679886.db2.gz OYMAZFUOJUTYFK-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001334200096 932765711 /nfs/dbraw/zinc/76/57/11/932765711.db2.gz CJTQKAUMHUCDCQ-INIZCTEOSA-N 2 1 264.457 3.373 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001462302722 937631201 /nfs/dbraw/zinc/63/12/01/937631201.db2.gz AWDPIPHFFSTZJV-HRCADAONSA-N 2 1 284.488 3.289 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001462302722 937631203 /nfs/dbraw/zinc/63/12/03/937631203.db2.gz AWDPIPHFFSTZJV-HRCADAONSA-N 2 1 284.488 3.289 20 0 CGADMP CCc1cc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001306932993 932897302 /nfs/dbraw/zinc/89/73/02/932897302.db2.gz UGJCLQPNFSJLKY-OKILXGFUSA-N 2 1 290.455 3.127 20 0 CGADMP CCc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001306932993 932897311 /nfs/dbraw/zinc/89/73/11/932897311.db2.gz UGJCLQPNFSJLKY-OKILXGFUSA-N 2 1 290.455 3.127 20 0 CGADMP CCCCC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC001307949542 933025494 /nfs/dbraw/zinc/02/54/94/933025494.db2.gz HFQBSJZRNPVNMB-DLBZAZTESA-N 2 1 284.488 3.122 20 0 CGADMP CCCCC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC001307949542 933025497 /nfs/dbraw/zinc/02/54/97/933025497.db2.gz HFQBSJZRNPVNMB-DLBZAZTESA-N 2 1 284.488 3.122 20 0 CGADMP CCCCC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC001307949542 933025501 /nfs/dbraw/zinc/02/55/01/933025501.db2.gz HFQBSJZRNPVNMB-DLBZAZTESA-N 2 1 284.488 3.122 20 0 CGADMP C/C=C\C[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC001307973537 933029520 /nfs/dbraw/zinc/02/95/20/933029520.db2.gz FIFHSUCYKUYSNQ-OUOZUETKSA-N 2 1 252.446 3.397 20 0 CGADMP CCC(C)(C)CC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC001307990917 933030651 /nfs/dbraw/zinc/03/06/51/933030651.db2.gz WXKFIFUPISVDJY-UHFFFAOYSA-N 2 1 284.488 3.103 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC001308232263 933077374 /nfs/dbraw/zinc/07/73/74/933077374.db2.gz QYAPGORJPADCSP-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC001308232263 933077381 /nfs/dbraw/zinc/07/73/81/933077381.db2.gz QYAPGORJPADCSP-CYBMUJFWSA-N 2 1 290.382 3.393 20 0 CGADMP C[C@H]1CCCC[C@H]1C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC001308252457 933082030 /nfs/dbraw/zinc/08/20/30/933082030.db2.gz UFWYLWAAPPUGSA-IRXDYDNUSA-N 2 1 294.483 3.047 20 0 CGADMP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc2ccccc21 ZINC001308478295 933116985 /nfs/dbraw/zinc/11/69/85/933116985.db2.gz HQVULCZYDUZJRE-AWEZNQCLSA-N 2 1 286.419 3.278 20 0 CGADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC001308552321 933130788 /nfs/dbraw/zinc/13/07/88/933130788.db2.gz BJRFRDDKVHJYIT-CORIIIEPSA-N 2 1 299.245 3.423 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC001308552321 933130790 /nfs/dbraw/zinc/13/07/90/933130790.db2.gz BJRFRDDKVHJYIT-CORIIIEPSA-N 2 1 299.245 3.423 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CSC[C@H]1C)C1CCCCC1 ZINC001308850735 933189423 /nfs/dbraw/zinc/18/94/23/933189423.db2.gz KAHHLAODZLSPHH-GDBMZVCRSA-N 2 1 284.513 3.372 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@H]1C[C@H]1C)C1CCCCC1 ZINC001308851543 933190855 /nfs/dbraw/zinc/19/08/55/933190855.db2.gz QOGNFYCFSXCLPX-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)nc2C)C1 ZINC001319743181 933925547 /nfs/dbraw/zinc/92/55/47/933925547.db2.gz FQOVHYXEBCAGTR-GOEBONIOSA-N 2 1 275.440 3.081 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001321273928 934172071 /nfs/dbraw/zinc/17/20/71/934172071.db2.gz PMVOVXKRORULBC-FXUDXRNXSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001474757100 934176818 /nfs/dbraw/zinc/17/68/18/934176818.db2.gz QBMQJEDJDFHDSP-IPMKNSEASA-N 2 1 286.463 3.282 20 0 CGADMP COc1ccccc1C1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001323438386 934398319 /nfs/dbraw/zinc/39/83/19/934398319.db2.gz DTELIERBTORZJI-HNNXBMFYSA-N 2 1 288.435 3.148 20 0 CGADMP COc1ccccc1C1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001323438386 934398329 /nfs/dbraw/zinc/39/83/29/934398329.db2.gz DTELIERBTORZJI-HNNXBMFYSA-N 2 1 288.435 3.148 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001325597407 934920441 /nfs/dbraw/zinc/92/04/41/934920441.db2.gz IKSGKFGWGXLWOY-BPQIPLTHSA-N 2 1 274.452 3.470 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC001325742107 934926054 /nfs/dbraw/zinc/92/60/54/934926054.db2.gz BKIUXQUUXHRVSL-BXUZGUMPSA-N 2 1 282.815 3.141 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001326045541 934946932 /nfs/dbraw/zinc/94/69/32/934946932.db2.gz JFHKZFNYNSEAKJ-BZUAXINKSA-N 2 1 296.499 3.290 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccn2C2CC2)C1 ZINC001326429712 934978759 /nfs/dbraw/zinc/97/87/59/934978759.db2.gz JKMSQSMOOCXQQZ-MRXNPFEDSA-N 2 1 289.467 3.425 20 0 CGADMP CC(C)(CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)C1CC1 ZINC001326808100 935009538 /nfs/dbraw/zinc/00/95/38/935009538.db2.gz YEXSBTZJZDPPLA-UHFFFAOYSA-N 2 1 264.457 3.278 20 0 CGADMP Fc1cccc(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327004934 935021117 /nfs/dbraw/zinc/02/11/17/935021117.db2.gz OGELSTQFCCJLPJ-UHFFFAOYSA-N 2 1 296.817 3.445 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCCC(F)(F)F ZINC001333822940 936068852 /nfs/dbraw/zinc/06/88/52/936068852.db2.gz ODDCXMWLKZNWCZ-ZDUSSCGKSA-N 2 1 280.378 3.429 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)CC1(C)C ZINC001334889868 936120834 /nfs/dbraw/zinc/12/08/34/936120834.db2.gz REIAOSDKCSYMQL-MRXNPFEDSA-N 2 1 290.451 3.308 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001335584771 936153635 /nfs/dbraw/zinc/15/36/35/936153635.db2.gz YQQPHWRRKGEGAT-ZVZYQTTQSA-N 2 1 290.426 3.296 20 0 CGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC001337654655 936277337 /nfs/dbraw/zinc/27/73/37/936277337.db2.gz HHZUTJODEZMDPE-QGZVFWFLSA-N 2 1 281.403 3.040 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001338073952 936305020 /nfs/dbraw/zinc/30/50/20/936305020.db2.gz FEWAJBHUUCDJKR-RYQLBKOJSA-N 2 1 274.452 3.388 20 0 CGADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001473951955 937831813 /nfs/dbraw/zinc/83/18/13/937831813.db2.gz GJJJULUBEVYYKP-ZDUSSCGKSA-N 2 1 287.382 3.008 20 0 CGADMP CCCn1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)n1 ZINC001474039264 937837298 /nfs/dbraw/zinc/83/72/98/937837298.db2.gz ATIDVZZPYLHUKJ-UHFFFAOYSA-N 2 1 294.487 3.200 20 0 CGADMP COc1cccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001474109108 937840864 /nfs/dbraw/zinc/84/08/64/937840864.db2.gz OEUQVDSLVXHGJI-OAHLLOKOSA-N 2 1 276.424 3.049 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[C@H]1C1CCCC1 ZINC001474301378 937849381 /nfs/dbraw/zinc/84/93/81/937849381.db2.gz KEENPBGIZAKXSO-VQHPVUNQSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001474301157 937849516 /nfs/dbraw/zinc/84/95/16/937849516.db2.gz GIXFJROFOCQOQH-NHHFINERSA-N 2 1 278.484 3.379 20 0 CGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CCO1 ZINC001474645017 937872845 /nfs/dbraw/zinc/87/28/45/937872845.db2.gz BLVRDNYTBIUZMG-DLBZAZTESA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)C1CCC(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC001474671142 937873817 /nfs/dbraw/zinc/87/38/17/937873817.db2.gz SBHLXTNALPLFOK-HIEASXQVSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC001474671142 937873819 /nfs/dbraw/zinc/87/38/19/937873819.db2.gz SBHLXTNALPLFOK-HIEASXQVSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC001474671142 937873821 /nfs/dbraw/zinc/87/38/21/937873821.db2.gz SBHLXTNALPLFOK-HIEASXQVSA-N 2 1 278.484 3.475 20 0 CGADMP CC(C)C1CCC(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC001474671142 937873822 /nfs/dbraw/zinc/87/38/22/937873822.db2.gz SBHLXTNALPLFOK-HIEASXQVSA-N 2 1 278.484 3.475 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3ccsc32)C1 ZINC001549546927 938157789 /nfs/dbraw/zinc/15/77/89/938157789.db2.gz OAGQTRQGLRETEQ-TZMCWYRMSA-N 2 1 264.438 3.057 20 0 CGADMP Cc1nc([C@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)sc1C ZINC001549776744 938159527 /nfs/dbraw/zinc/15/95/27/938159527.db2.gz WFNYFSYPGGJJIK-HUUCEWRRSA-N 2 1 293.480 3.287 20 0 CGADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001550354224 938166192 /nfs/dbraw/zinc/16/61/92/938166192.db2.gz YSGOHHOCIKMXMW-USXIJHARSA-N 2 1 258.409 3.125 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001550511975 938166858 /nfs/dbraw/zinc/16/68/58/938166858.db2.gz OMUZDIVFHNCEER-CGHHPOIWSA-N 2 1 286.463 3.356 20 0 CGADMP C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001552412562 938191812 /nfs/dbraw/zinc/19/18/12/938191812.db2.gz OQVQPYLJOVNYLK-WBVHZDCISA-N 2 1 272.436 3.254 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552412156 938191871 /nfs/dbraw/zinc/19/18/71/938191871.db2.gz HJGOEPOWQSSWBN-RYRKJORJSA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC001552411995 938191897 /nfs/dbraw/zinc/19/18/97/938191897.db2.gz AMQJNEAXGOQMKL-LMSBXDPUSA-N 2 1 272.436 3.239 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC1CCCCCC1 ZINC001559558518 938229633 /nfs/dbraw/zinc/22/96/33/938229633.db2.gz XVCCOFFBOFBSIS-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC1CCCCCC1 ZINC001559558518 938229634 /nfs/dbraw/zinc/22/96/34/938229634.db2.gz XVCCOFFBOFBSIS-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC1CCCCCC1 ZINC001559558518 938229635 /nfs/dbraw/zinc/22/96/35/938229635.db2.gz XVCCOFFBOFBSIS-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001560069529 938243167 /nfs/dbraw/zinc/24/31/67/938243167.db2.gz VFILAYGWZSHQLJ-GZTQLTBSSA-N 2 1 270.848 3.325 20 0 CGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001560069529 938243168 /nfs/dbraw/zinc/24/31/68/938243168.db2.gz VFILAYGWZSHQLJ-GZTQLTBSSA-N 2 1 270.848 3.325 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001560108498 938244234 /nfs/dbraw/zinc/24/42/34/938244234.db2.gz DRNRHOQFZXEOFQ-KRWDZBQOSA-N 2 1 295.430 3.409 20 0 CGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CCCCC1(C)C ZINC001560136793 938244899 /nfs/dbraw/zinc/24/48/99/938244899.db2.gz DXBYMDMFVJECOX-HRCADAONSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1csc(C2CC2)n1 ZINC001560349462 938254508 /nfs/dbraw/zinc/25/45/08/938254508.db2.gz LISKNXCAWRIAMN-UHFFFAOYSA-N 2 1 290.436 3.095 20 0 CGADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cnc1Cl ZINC001560437007 938258680 /nfs/dbraw/zinc/25/86/80/938258680.db2.gz ZDQNTKIYDLXAQM-CQSZACIVSA-N 2 1 295.858 3.398 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(O)CCCC(C)(C)CC2)CC1(C)C ZINC001560557001 938262900 /nfs/dbraw/zinc/26/29/00/938262900.db2.gz AJQLAMYEALMAGX-QAPCUYQASA-N 2 1 296.499 3.170 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)C2CCC(C)CC2)CC1 ZINC001560669872 938268995 /nfs/dbraw/zinc/26/89/95/938268995.db2.gz HLBZGNBYOPDSIQ-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2ccc(F)c(F)c2)CC1 ZINC001560758342 938274139 /nfs/dbraw/zinc/27/41/39/938274139.db2.gz VMPMJZYUCIBPDF-OAHLLOKOSA-N 2 1 296.405 3.314 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]CCCc1ccc(F)c(F)c1 ZINC001560802938 938276639 /nfs/dbraw/zinc/27/66/39/938276639.db2.gz IVLZKPMNWFOURJ-CYBMUJFWSA-N 2 1 284.394 3.217 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814088 938277758 /nfs/dbraw/zinc/27/77/58/938277758.db2.gz OXFAAXIKYQHVBB-MJGOQNOKSA-N 2 1 284.447 3.091 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814088 938277759 /nfs/dbraw/zinc/27/77/59/938277759.db2.gz OXFAAXIKYQHVBB-MJGOQNOKSA-N 2 1 284.447 3.091 20 0 CGADMP Cc1c(F)cccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257208177 960427037 /nfs/dbraw/zinc/42/70/37/960427037.db2.gz UDLZSIBSHUWEIU-UHFFFAOYSA-N 2 1 264.388 3.097 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001258774791 960428292 /nfs/dbraw/zinc/42/82/92/960428292.db2.gz YXTKBIZJVYMLEF-OAHLLOKOSA-N 2 1 290.426 3.489 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001580293085 960487032 /nfs/dbraw/zinc/48/70/32/960487032.db2.gz PFYMQSRQNWZXNI-IAGOWNOFSA-N 2 1 282.472 3.034 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001575108732 962342066 /nfs/dbraw/zinc/34/20/66/962342066.db2.gz SENJODBGCXOYRS-MRXNPFEDSA-N 2 1 260.425 3.417 20 0 CGADMP CC(C)(C)OC1CC([N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC001575248359 962355365 /nfs/dbraw/zinc/35/53/65/962355365.db2.gz WRWFPEJWYLGYOB-KVULBXGLSA-N 2 1 282.472 3.029 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@@H+]2CCC23CC[NH2+]CC3)c1 ZINC001575258204 962358675 /nfs/dbraw/zinc/35/86/75/962358675.db2.gz GUOJKXPHJSREDF-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC23CC[NH2+]CC3)c1 ZINC001575258204 962358690 /nfs/dbraw/zinc/35/86/90/962358690.db2.gz GUOJKXPHJSREDF-UHFFFAOYSA-N 2 1 288.435 3.192 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC001576120610 962443011 /nfs/dbraw/zinc/44/30/11/962443011.db2.gz WUTLPOSGZROPAH-KOLCDFICSA-N 2 1 295.839 3.119 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC001576120610 962443020 /nfs/dbraw/zinc/44/30/20/962443020.db2.gz WUTLPOSGZROPAH-KOLCDFICSA-N 2 1 295.839 3.119 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576316737 962444685 /nfs/dbraw/zinc/44/46/85/962444685.db2.gz SLLWYBWXRQLYSF-AWEZNQCLSA-N 2 1 299.418 3.334 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC001576503385 962468260 /nfs/dbraw/zinc/46/82/60/962468260.db2.gz RNGIQBDUKLUCQV-MRXNPFEDSA-N 2 1 280.843 3.333 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)[C@H]1CC[NH3+] ZINC001576708735 962484352 /nfs/dbraw/zinc/48/43/52/962484352.db2.gz IIZDREUJWFYKRG-GUYCJALGSA-N 2 1 271.408 3.117 20 0 CGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC001576748745 962488040 /nfs/dbraw/zinc/48/80/40/962488040.db2.gz NEWGGNGAZJENCR-QOVOIXHVSA-N 2 1 276.399 3.048 20 0 CGADMP CCC(C)(C)CC[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576941357 962501459 /nfs/dbraw/zinc/50/14/59/962501459.db2.gz FXWDOJZJXNVYSK-ZBFHGGJFSA-N 2 1 252.446 3.264 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2cnc3c(F)cccc3c2)CC1 ZINC001577230354 962515528 /nfs/dbraw/zinc/51/55/28/962515528.db2.gz HKLARFBZKBOFQT-UHFFFAOYSA-N 2 1 287.382 3.077 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@H](N)CC(F)(F)F)c1 ZINC001578220771 962571623 /nfs/dbraw/zinc/57/16/23/962571623.db2.gz XFUXKGOJEDDAAU-LLVKDONJSA-N 2 1 292.370 3.168 20 0 CGADMP CCSc1cccc(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)c1 ZINC001578220771 962571630 /nfs/dbraw/zinc/57/16/30/962571630.db2.gz XFUXKGOJEDDAAU-LLVKDONJSA-N 2 1 292.370 3.168 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001578486544 962589795 /nfs/dbraw/zinc/58/97/95/962589795.db2.gz PISIWLGYYANFRS-XOYOTBSWSA-N 2 1 272.436 3.382 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001579175639 962609298 /nfs/dbraw/zinc/60/92/98/962609298.db2.gz GYMTVJYDTDTOAJ-CZUORRHYSA-N 2 1 284.403 3.018 20 0 CGADMP CSCC[C@H](C)[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC001579370871 962622022 /nfs/dbraw/zinc/62/20/22/962622022.db2.gz SXCYPONJDTWZNM-STQMWFEESA-N 2 1 260.491 3.213 20 0 CGADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC001579370871 962622034 /nfs/dbraw/zinc/62/20/34/962622034.db2.gz SXCYPONJDTWZNM-STQMWFEESA-N 2 1 260.491 3.213 20 0 CGADMP C[C@H]([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)c1ccc(Cl)cc1Cl ZINC001579485876 962627794 /nfs/dbraw/zinc/62/77/94/962627794.db2.gz VMJUTXSKFRINDC-RBZYPMLTSA-N 2 1 285.218 3.254 20 0 CGADMP Cc1ncc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC001579875686 962681671 /nfs/dbraw/zinc/68/16/71/962681671.db2.gz ICAFVZRKKIOCFX-WMLDXEAASA-N 2 1 291.439 3.103 20 0 CGADMP Fc1ccc(C[N@@H+](CCC2C[NH2+]C2)CC2CC2)c(Cl)c1 ZINC001580031143 962691109 /nfs/dbraw/zinc/69/11/09/962691109.db2.gz WQXAZAQWXWXQJS-UHFFFAOYSA-N 2 1 296.817 3.301 20 0 CGADMP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)CC(F)(F)F ZINC001580132654 962696038 /nfs/dbraw/zinc/69/60/38/962696038.db2.gz QOLKKYFXOQSPOR-JQWIXIFHSA-N 2 1 292.732 3.197 20 0 CGADMP c1cc(CC2CCC2)cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001580887680 962739925 /nfs/dbraw/zinc/73/99/25/962739925.db2.gz CQNYHCOCXVGDKB-OALUTQOASA-N 2 1 284.447 3.213 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337525941 214138485 /nfs/dbraw/zinc/13/84/85/214138485.db2.gz RPJLEWLVWNSPLM-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337525941 214138488 /nfs/dbraw/zinc/13/84/88/214138488.db2.gz RPJLEWLVWNSPLM-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)[C@H](C)C1 ZINC000337531979 214142656 /nfs/dbraw/zinc/14/26/56/214142656.db2.gz VPAVPIURBSWINA-IKGGRYGDSA-N 2 1 294.483 3.046 20 0 CGADMP CCCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000621715060 349561406 /nfs/dbraw/zinc/56/14/06/349561406.db2.gz JFRLJRRVYZHJJT-UHFFFAOYSA-N 2 1 280.481 3.474 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000621784055 349586388 /nfs/dbraw/zinc/58/63/88/349586388.db2.gz JAKGDHXLGATLDG-LYRGGWFBSA-N 2 1 276.811 3.141 20 0 CGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000621784055 349586392 /nfs/dbraw/zinc/58/63/92/349586392.db2.gz JAKGDHXLGATLDG-LYRGGWFBSA-N 2 1 276.811 3.141 20 0 CGADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000651741411 398279649 /nfs/dbraw/zinc/27/96/49/398279649.db2.gz JGRYUANGXCUZER-DLBZAZTESA-N 2 1 298.515 3.395 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCCC[C@H]2C)CCCO1 ZINC000651786294 398288078 /nfs/dbraw/zinc/28/80/78/398288078.db2.gz REAOPWOLOCHQTE-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCCC[C@H]2C)CCCO1 ZINC000651786294 398288079 /nfs/dbraw/zinc/28/80/79/398288079.db2.gz REAOPWOLOCHQTE-ZACQAIPSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338006936 214357678 /nfs/dbraw/zinc/35/76/78/214357678.db2.gz DNOBYKJXMMLYER-IMJJTQAJSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000338010142 214358991 /nfs/dbraw/zinc/35/89/91/214358991.db2.gz YBHXACUXNLANJN-NSHDSACASA-N 2 1 277.334 3.292 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000338016450 214362334 /nfs/dbraw/zinc/36/23/34/214362334.db2.gz FAXRSSKCRUVSBG-MRXNPFEDSA-N 2 1 290.386 3.103 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000338020438 214363611 /nfs/dbraw/zinc/36/36/11/214363611.db2.gz ZJOPWDWTNIZZFK-GFCCVEGCSA-N 2 1 289.448 3.483 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000423458193 529568750 /nfs/dbraw/zinc/56/87/50/529568750.db2.gz GONJFZYMPYMXPN-RKDXNWHRSA-N 2 1 291.258 3.207 20 0 CGADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCc1c[nH+]cn1C ZINC000623086484 349757628 /nfs/dbraw/zinc/75/76/28/349757628.db2.gz UOMRMMSMMDWJTN-UKTHLTGXSA-N 2 1 289.810 3.309 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000453091237 282209791 /nfs/dbraw/zinc/20/97/91/282209791.db2.gz QVTDUJLCDMANCG-SMDDNHRTSA-N 2 1 275.421 3.481 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335778 349780585 /nfs/dbraw/zinc/78/05/85/349780585.db2.gz CYBKKXMDYNCXRU-NVXWUHKLSA-N 2 1 274.452 3.470 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1C[C@@H]1C ZINC000414087277 529613286 /nfs/dbraw/zinc/61/32/86/529613286.db2.gz ABFCHZDAADHJPS-NXOAAHMSSA-N 2 1 266.473 3.379 20 0 CGADMP Cc1ccc(O[C@@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000126195258 187223235 /nfs/dbraw/zinc/22/32/35/187223235.db2.gz XFCZSWLVXVTKRB-OVWQWFNUSA-N 2 1 290.451 3.081 20 0 CGADMP FC(F)(F)c1cc(C[NH2+]CCC[NH+]2CCCC2)cs1 ZINC000623343480 349783659 /nfs/dbraw/zinc/78/36/59/349783659.db2.gz WEMXFIRBPLIGIX-UHFFFAOYSA-N 2 1 292.370 3.342 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccsc1 ZINC000423268895 290036167 /nfs/dbraw/zinc/03/61/67/290036167.db2.gz VGYJYOKDIOFBQJ-SMDDNHRTSA-N 2 1 252.427 3.306 20 0 CGADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C(C)C ZINC000126430424 187239467 /nfs/dbraw/zinc/23/94/67/187239467.db2.gz YLHOJDQGDXOCDH-OAHLLOKOSA-N 2 1 272.396 3.100 20 0 CGADMP Cc1cc(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)ccn1 ZINC000623438354 349809690 /nfs/dbraw/zinc/80/96/90/349809690.db2.gz WRUKFTGQQPDTSG-KRWDZBQOSA-N 2 1 297.446 3.390 20 0 CGADMP Cc1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)ccn1 ZINC000623438354 349809700 /nfs/dbraw/zinc/80/97/00/349809700.db2.gz WRUKFTGQQPDTSG-KRWDZBQOSA-N 2 1 297.446 3.390 20 0 CGADMP Cc1ccsc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335543483 212241474 /nfs/dbraw/zinc/24/14/74/212241474.db2.gz LQBCEQUMGXCPCQ-ZDUSSCGKSA-N 2 1 264.438 3.021 20 0 CGADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623448443 349812400 /nfs/dbraw/zinc/81/24/00/349812400.db2.gz VEIADMXMVUHPKD-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000366258084 529729856 /nfs/dbraw/zinc/72/98/56/529729856.db2.gz GQDZBPGEVPMCPF-YUTCNCBUSA-N 2 1 293.480 3.291 20 0 CGADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000366258084 529729858 /nfs/dbraw/zinc/72/98/58/529729858.db2.gz GQDZBPGEVPMCPF-YUTCNCBUSA-N 2 1 293.480 3.291 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657259 349858579 /nfs/dbraw/zinc/85/85/79/349858579.db2.gz MIEASSJFFVTZBM-IAGOWNOFSA-N 2 1 274.452 3.248 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)cc21 ZINC000623657691 349859520 /nfs/dbraw/zinc/85/95/20/349859520.db2.gz WRAFLNXWONOEKF-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623657394 349859589 /nfs/dbraw/zinc/85/95/89/349859589.db2.gz PTFFLYYSWYNQKA-BZUAXINKSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657557 349860185 /nfs/dbraw/zinc/86/01/85/349860185.db2.gz UKRUSLULPNSACV-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000128046324 187348530 /nfs/dbraw/zinc/34/85/30/187348530.db2.gz CZAPBSGIJZWERC-AEGPPILISA-N 2 1 278.465 3.204 20 0 CGADMP CCSCC[C@@H](C)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000592476470 346992888 /nfs/dbraw/zinc/99/28/88/346992888.db2.gz VIUWYZPMGQFOPF-CQSZACIVSA-N 2 1 272.502 3.230 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000351589363 219134973 /nfs/dbraw/zinc/13/49/73/219134973.db2.gz NHCAWHIVSROCIY-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000351589363 219134975 /nfs/dbraw/zinc/13/49/75/219134975.db2.gz NHCAWHIVSROCIY-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000351589363 219134977 /nfs/dbraw/zinc/13/49/77/219134977.db2.gz NHCAWHIVSROCIY-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423250550 529978734 /nfs/dbraw/zinc/97/87/34/529978734.db2.gz UKRIASJRQIWFCK-DZGCQCFKSA-N 2 1 266.816 3.175 20 0 CGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411174174 529984502 /nfs/dbraw/zinc/98/45/02/529984502.db2.gz OGZVRHSPEAFLNJ-UHFFFAOYSA-N 2 1 258.409 3.267 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423276439 529999426 /nfs/dbraw/zinc/99/94/26/529999426.db2.gz ONMKOODHGDSWGF-KXBFYZLASA-N 2 1 298.430 3.230 20 0 CGADMP CCCO[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000351602335 219141014 /nfs/dbraw/zinc/14/10/14/219141014.db2.gz YNJILHPRKQVFPD-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP CCCO[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351602335 219141016 /nfs/dbraw/zinc/14/10/16/219141016.db2.gz YNJILHPRKQVFPD-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP CCCO[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351602335 219141018 /nfs/dbraw/zinc/14/10/18/219141018.db2.gz YNJILHPRKQVFPD-SJORKVTESA-N 2 1 282.472 3.142 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000355040617 530051179 /nfs/dbraw/zinc/05/11/79/530051179.db2.gz PUOTXDSHJKLVQU-QZTJIDSGSA-N 2 1 284.447 3.350 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418086506 530055131 /nfs/dbraw/zinc/05/51/31/530055131.db2.gz CSHVUQMVACMHGQ-SZMVWBNQSA-N 2 1 272.436 3.112 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000414174038 530055175 /nfs/dbraw/zinc/05/51/75/530055175.db2.gz GKLYTVJUIJSUMZ-MAUKXSAKSA-N 2 1 272.436 3.459 20 0 CGADMP C[NH+](C)Cc1cccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623932073 349920702 /nfs/dbraw/zinc/92/07/02/349920702.db2.gz YCWFUXBAWXCEBE-MRXNPFEDSA-N 2 1 275.440 3.033 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044533029 345012736 /nfs/dbraw/zinc/01/27/36/345012736.db2.gz OQVGHKJGZHKJTH-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044533029 345012738 /nfs/dbraw/zinc/01/27/38/345012738.db2.gz OQVGHKJGZHKJTH-LLVKDONJSA-N 2 1 287.234 3.425 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534877 345012802 /nfs/dbraw/zinc/01/28/02/345012802.db2.gz YMHFVIBZFIBHSO-CHWSQXEVSA-N 2 1 266.816 3.332 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000045135196 345021182 /nfs/dbraw/zinc/02/11/82/345021182.db2.gz JBUPQZIJSIYPNA-MRXNPFEDSA-N 2 1 283.419 3.055 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000045135187 345021204 /nfs/dbraw/zinc/02/12/04/345021204.db2.gz XBCDBTMPGWBPPO-CYBMUJFWSA-N 2 1 266.454 3.130 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169625 345388331 /nfs/dbraw/zinc/38/83/31/345388331.db2.gz NCYKCOXAVBNFLK-HNNXBMFYSA-N 2 1 276.424 3.036 20 0 CGADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000071199304 345402502 /nfs/dbraw/zinc/40/25/02/345402502.db2.gz OMPSAQIIJHDPIE-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000071199304 345402505 /nfs/dbraw/zinc/40/25/05/345402505.db2.gz OMPSAQIIJHDPIE-MRXNPFEDSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCCOCc2ccccc2)CC[N@H+]1C ZINC000127442813 187306380 /nfs/dbraw/zinc/30/63/80/187306380.db2.gz IKAWKCOATQZPGH-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]c2ccsc21 ZINC000078262443 345597570 /nfs/dbraw/zinc/59/75/70/345597570.db2.gz NVAWTCZSGRLZSX-GFCCVEGCSA-N 2 1 275.421 3.074 20 0 CGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH+]c2ccsc21 ZINC000078262443 345597573 /nfs/dbraw/zinc/59/75/73/345597573.db2.gz NVAWTCZSGRLZSX-GFCCVEGCSA-N 2 1 275.421 3.074 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000079987825 345661344 /nfs/dbraw/zinc/66/13/44/345661344.db2.gz FDHQRQKVQQUVGN-HUUCEWRRSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC000156290838 232228117 /nfs/dbraw/zinc/22/81/17/232228117.db2.gz PWWKXQLCRGWCFG-CSMYWGQOSA-N 2 1 276.399 3.349 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC[N@H+]1C ZINC000156290838 232228121 /nfs/dbraw/zinc/22/81/21/232228121.db2.gz PWWKXQLCRGWCFG-CSMYWGQOSA-N 2 1 276.399 3.349 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000091321097 345810650 /nfs/dbraw/zinc/81/06/50/345810650.db2.gz KTEPIWKSBVZLCP-YOEHRIQHSA-N 2 1 286.423 3.210 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccnc1 ZINC000091333256 345811027 /nfs/dbraw/zinc/81/10/27/345811027.db2.gz WWAKIAWKINDWBG-WMZOPIPTSA-N 2 1 289.467 3.489 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)n1 ZINC000089512885 345770307 /nfs/dbraw/zinc/77/03/07/345770307.db2.gz AZBXOPYCHYUWMD-ZDUSSCGKSA-N 2 1 290.455 3.007 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000090399512 345787448 /nfs/dbraw/zinc/78/74/48/345787448.db2.gz WQDLQQLOXLXVJR-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000092739325 345855092 /nfs/dbraw/zinc/85/50/92/345855092.db2.gz VNBFKLIDMFCASU-CVEARBPZSA-N 2 1 275.440 3.387 20 0 CGADMP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(C)ccc1OC ZINC000093403209 345877625 /nfs/dbraw/zinc/87/76/25/345877625.db2.gz DTVNMOAHZQMXLR-ZBFHGGJFSA-N 2 1 278.440 3.385 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3cc(F)ccc3o2)C1 ZINC000093770002 345886127 /nfs/dbraw/zinc/88/61/27/345886127.db2.gz UJYHUSTVSLYBIQ-CYBMUJFWSA-N 2 1 290.382 3.346 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3cc(F)ccc3o2)C1 ZINC000093770002 345886130 /nfs/dbraw/zinc/88/61/30/345886130.db2.gz UJYHUSTVSLYBIQ-CYBMUJFWSA-N 2 1 290.382 3.346 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000093770002 345886133 /nfs/dbraw/zinc/88/61/33/345886133.db2.gz UJYHUSTVSLYBIQ-CYBMUJFWSA-N 2 1 290.382 3.346 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000093770002 345886137 /nfs/dbraw/zinc/88/61/37/345886137.db2.gz UJYHUSTVSLYBIQ-CYBMUJFWSA-N 2 1 290.382 3.346 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108428193 345937419 /nfs/dbraw/zinc/93/74/19/345937419.db2.gz MRSCCJHSZDMJCS-JMPLCFMRSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125462666 346017706 /nfs/dbraw/zinc/01/77/06/346017706.db2.gz UTFPCQRXRQURPC-AWEZNQCLSA-N 2 1 280.843 3.340 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125462666 346017709 /nfs/dbraw/zinc/01/77/09/346017709.db2.gz UTFPCQRXRQURPC-AWEZNQCLSA-N 2 1 280.843 3.340 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000129033327 346046377 /nfs/dbraw/zinc/04/63/77/346046377.db2.gz PJBZNHZWRCEZBJ-WMLDXEAASA-N 2 1 284.403 3.030 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1[NH3+] ZINC000139336743 346099684 /nfs/dbraw/zinc/09/96/84/346099684.db2.gz BNTNFXLWGHDVEV-RISCZKNCSA-N 2 1 260.406 3.070 20 0 CGADMP CC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000181117983 346255064 /nfs/dbraw/zinc/25/50/64/346255064.db2.gz ZVEIFZHGXYEMEN-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000181117983 346255066 /nfs/dbraw/zinc/25/50/66/346255066.db2.gz ZVEIFZHGXYEMEN-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000181117983 346255068 /nfs/dbraw/zinc/25/50/68/346255068.db2.gz ZVEIFZHGXYEMEN-JYJNAYRXSA-N 2 1 252.446 3.371 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCOc1ccc(Cl)cc1 ZINC000515814552 535041607 /nfs/dbraw/zinc/04/16/07/535041607.db2.gz LNTCWEWHMQHGJX-CQSZACIVSA-N 2 1 284.831 3.072 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300138334 346436122 /nfs/dbraw/zinc/43/61/22/346436122.db2.gz NBOHJGHOJFWTML-QLFBSQMISA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000310759395 346472248 /nfs/dbraw/zinc/47/22/48/346472248.db2.gz KVRLDRYQKBHFKN-GOEBONIOSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000310759391 346472378 /nfs/dbraw/zinc/47/23/78/346472378.db2.gz KVRLDRYQKBHFKN-GDBMZVCRSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000388737546 346570760 /nfs/dbraw/zinc/57/07/60/346570760.db2.gz IZXRMSAGRAFWGQ-UPJWGTAASA-N 2 1 280.378 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000388737546 346570763 /nfs/dbraw/zinc/57/07/63/346570763.db2.gz IZXRMSAGRAFWGQ-UPJWGTAASA-N 2 1 280.378 3.426 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000401750544 346592955 /nfs/dbraw/zinc/59/29/55/346592955.db2.gz NKNULCJXTKAWAN-UHFFFAOYSA-N 2 1 277.437 3.111 20 0 CGADMP CCOc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000584682272 346707527 /nfs/dbraw/zinc/70/75/27/346707527.db2.gz NEINKDQHNXTARX-HNNXBMFYSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000584682272 346707530 /nfs/dbraw/zinc/70/75/30/346707530.db2.gz NEINKDQHNXTARX-HNNXBMFYSA-N 2 1 294.414 3.044 20 0 CGADMP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000584682272 346707534 /nfs/dbraw/zinc/70/75/34/346707534.db2.gz NEINKDQHNXTARX-HNNXBMFYSA-N 2 1 294.414 3.044 20 0 CGADMP Cc1cccc(CCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000584852205 346719012 /nfs/dbraw/zinc/71/90/12/346719012.db2.gz RYKHBQRMVQSEEO-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1cccc(CCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000584852205 346719014 /nfs/dbraw/zinc/71/90/14/346719014.db2.gz RYKHBQRMVQSEEO-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000624120184 349976742 /nfs/dbraw/zinc/97/67/42/349976742.db2.gz UAWIKUJUFNTEQA-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000624120184 349976746 /nfs/dbraw/zinc/97/67/46/349976746.db2.gz UAWIKUJUFNTEQA-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121230 349978769 /nfs/dbraw/zinc/97/87/69/349978769.db2.gz QNEGJVCMDXZCPZ-HUUCEWRRSA-N 2 1 280.481 3.391 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000624121354 349978793 /nfs/dbraw/zinc/97/87/93/349978793.db2.gz ULZFMXJQAVHLTQ-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000624121545 349980603 /nfs/dbraw/zinc/98/06/03/349980603.db2.gz XUIAHKYOGOYFIR-GUYCJALGSA-N 2 1 276.399 3.135 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000624122530 349982009 /nfs/dbraw/zinc/98/20/09/349982009.db2.gz UBONHGIWYAFMBF-PVAVHDDUSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCCC1 ZINC000624123178 349982947 /nfs/dbraw/zinc/98/29/47/349982947.db2.gz HFSOYBSKCQEZOX-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCCc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC000339407759 215153621 /nfs/dbraw/zinc/15/36/21/215153621.db2.gz MSUNIDKTUYULRV-UHFFFAOYSA-N 2 1 284.806 3.096 20 0 CGADMP CCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435137 215166391 /nfs/dbraw/zinc/16/63/91/215166391.db2.gz WNMGQORJTOZMFM-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435137 215166393 /nfs/dbraw/zinc/16/63/93/215166393.db2.gz WNMGQORJTOZMFM-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339435137 215166396 /nfs/dbraw/zinc/16/63/96/215166396.db2.gz WNMGQORJTOZMFM-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339435137 215166399 /nfs/dbraw/zinc/16/63/99/215166399.db2.gz WNMGQORJTOZMFM-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000608067851 348282181 /nfs/dbraw/zinc/28/21/81/348282181.db2.gz XUBJDYWNSTXCRR-RDJZCZTQSA-N 2 1 260.425 3.123 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000624145810 349987932 /nfs/dbraw/zinc/98/79/32/349987932.db2.gz IMZBQJHODARDNA-XSLAGTTESA-N 2 1 296.499 3.433 20 0 CGADMP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000624145810 349987936 /nfs/dbraw/zinc/98/79/36/349987936.db2.gz IMZBQJHODARDNA-XSLAGTTESA-N 2 1 296.499 3.433 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@H]([N@H+](C)C[C@@H]2C[C@@H]2C)CC1 ZINC000625271022 350150862 /nfs/dbraw/zinc/15/08/62/350150862.db2.gz UPNBVXMQXSJIBS-NNXHMXCWSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([NH+](C)C[C@@H]2C[C@@H]2C)CC1 ZINC000625271022 350150864 /nfs/dbraw/zinc/15/08/64/350150864.db2.gz UPNBVXMQXSJIBS-NNXHMXCWSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]([NH+](C)C[C@@H]2C[C@@H]2C)CC1 ZINC000625271022 350150866 /nfs/dbraw/zinc/15/08/66/350150866.db2.gz UPNBVXMQXSJIBS-NNXHMXCWSA-N 2 1 264.457 3.085 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC2(CC2)CC1 ZINC000626114967 350264612 /nfs/dbraw/zinc/26/46/12/350264612.db2.gz AZGWNOXCCXTCFM-UHFFFAOYSA-N 2 1 250.430 3.129 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000352123497 219328045 /nfs/dbraw/zinc/32/80/45/219328045.db2.gz OOMYJMBHJWQSEC-BZUAXINKSA-N 2 1 290.451 3.033 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000352123497 219328048 /nfs/dbraw/zinc/32/80/48/219328048.db2.gz OOMYJMBHJWQSEC-BZUAXINKSA-N 2 1 290.451 3.033 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCCS2)C[C@H]1C ZINC000628182642 350426215 /nfs/dbraw/zinc/42/62/15/350426215.db2.gz CJDFVHHMKCMYTK-QLFBSQMISA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CCCS2)C[C@H]1C ZINC000628182642 350426217 /nfs/dbraw/zinc/42/62/17/350426217.db2.gz CJDFVHHMKCMYTK-QLFBSQMISA-N 2 1 270.486 3.077 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CCCS2)C[C@H]1C ZINC000628182642 350426219 /nfs/dbraw/zinc/42/62/19/350426219.db2.gz CJDFVHHMKCMYTK-QLFBSQMISA-N 2 1 270.486 3.077 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000628280723 350476542 /nfs/dbraw/zinc/47/65/42/350476542.db2.gz DTPJWHBXVJIQDW-SOLBZPMBSA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000628280723 350476544 /nfs/dbraw/zinc/47/65/44/350476544.db2.gz DTPJWHBXVJIQDW-SOLBZPMBSA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000628280723 350476547 /nfs/dbraw/zinc/47/65/47/350476547.db2.gz DTPJWHBXVJIQDW-SOLBZPMBSA-N 2 1 274.452 3.371 20 0 CGADMP Cc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000628280723 350476549 /nfs/dbraw/zinc/47/65/49/350476549.db2.gz DTPJWHBXVJIQDW-SOLBZPMBSA-N 2 1 274.452 3.371 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628287921 350479678 /nfs/dbraw/zinc/47/96/78/350479678.db2.gz SMUBBYRVMUCNJY-NEPJUHHUSA-N 2 1 262.388 3.130 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628287921 350479684 /nfs/dbraw/zinc/47/96/84/350479684.db2.gz SMUBBYRVMUCNJY-NEPJUHHUSA-N 2 1 262.388 3.130 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000629526829 350702289 /nfs/dbraw/zinc/70/22/89/350702289.db2.gz APIITRYDGWUWJJ-WNRNVDISSA-N 2 1 272.436 3.227 20 0 CGADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000629527107 350702967 /nfs/dbraw/zinc/70/29/67/350702967.db2.gz KDFASTCSQFBOKW-TWMKSMIVSA-N 2 1 272.436 3.299 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)nc2C)CC[C@@H]1[NH3+] ZINC000629527789 350703160 /nfs/dbraw/zinc/70/31/60/350703160.db2.gz GADSEOUGINLTRB-ZBFHGGJFSA-N 2 1 275.440 3.073 20 0 CGADMP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629550062 350711213 /nfs/dbraw/zinc/71/12/13/350711213.db2.gz XIPBXPLQSTWCBO-SOUVJXGZSA-N 2 1 264.800 3.187 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)cc1F ZINC000631063924 350940734 /nfs/dbraw/zinc/94/07/34/350940734.db2.gz OUHCCOAZKWLYSE-ZDUSSCGKSA-N 2 1 275.371 3.065 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631080695 350947002 /nfs/dbraw/zinc/94/70/02/350947002.db2.gz VNYGCZYWPFKFBC-UHFFFAOYSA-N 2 1 294.349 3.094 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2csc(C)c2C)[C@@H](C)C1 ZINC000631082777 350947892 /nfs/dbraw/zinc/94/78/92/350947892.db2.gz FAJHFHLLFKKLBD-NHYWBVRUSA-N 2 1 266.454 3.185 20 0 CGADMP CC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631662935 351109483 /nfs/dbraw/zinc/10/94/83/351109483.db2.gz GVLQTEAOZXFUMV-FYRJDAGRSA-N 2 1 272.436 3.143 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(C)ccn1 ZINC000631569576 351070132 /nfs/dbraw/zinc/07/01/32/351070132.db2.gz KJNJDUZJNQOSRE-ZACQAIPSSA-N 2 1 287.451 3.448 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(C)ccn1 ZINC000631569576 351070135 /nfs/dbraw/zinc/07/01/35/351070135.db2.gz KJNJDUZJNQOSRE-ZACQAIPSSA-N 2 1 287.451 3.448 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC000631571804 351071840 /nfs/dbraw/zinc/07/18/40/351071840.db2.gz IRTOJQDORZVROS-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631577294 351074053 /nfs/dbraw/zinc/07/40/53/351074053.db2.gz PUHCNLKNZTXTFY-GOSISDBHSA-N 2 1 287.451 3.313 20 0 CGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1C ZINC000631582140 351076756 /nfs/dbraw/zinc/07/67/56/351076756.db2.gz LASPAWVPKDRQAL-SFHVURJKSA-N 2 1 299.418 3.257 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(C)ccn1 ZINC000631583336 351077648 /nfs/dbraw/zinc/07/76/48/351077648.db2.gz WRYRTNHVICOFKZ-CVEARBPZSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631583336 351077650 /nfs/dbraw/zinc/07/76/50/351077650.db2.gz WRYRTNHVICOFKZ-CVEARBPZSA-N 2 1 275.440 3.163 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886708 351151746 /nfs/dbraw/zinc/15/17/46/351151746.db2.gz JKFCWLSCGDOIAI-WMZOPIPTSA-N 2 1 288.435 3.048 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000634683532 351569565 /nfs/dbraw/zinc/56/95/65/351569565.db2.gz SVFNHCGPWFQMRU-ARFHVFGLSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000635007770 351625403 /nfs/dbraw/zinc/62/54/03/351625403.db2.gz GRYWUNDRLDMXHN-MRVPVSSYSA-N 2 1 292.732 3.056 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000271516983 191186876 /nfs/dbraw/zinc/18/68/76/191186876.db2.gz OTGUXBOIQYIFQO-ZFWWWQNUSA-N 2 1 296.842 3.039 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364611091 234055754 /nfs/dbraw/zinc/05/57/54/234055754.db2.gz YNGYYODRHAJAGA-ILXRZTDVSA-N 2 1 275.440 3.250 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000364998328 234074208 /nfs/dbraw/zinc/07/42/08/234074208.db2.gz AQNCAVKKPJAAMN-UHFFFAOYSA-N 2 1 291.439 3.053 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(C)c1 ZINC000133600881 187695982 /nfs/dbraw/zinc/69/59/82/187695982.db2.gz KAYBODBNIFABGH-UHFFFAOYSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCF)C1 ZINC000367544899 234226115 /nfs/dbraw/zinc/22/61/15/234226115.db2.gz QLHNZTICMCZQRI-JKSUJKDBSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCF)C1 ZINC000367544899 234226117 /nfs/dbraw/zinc/22/61/17/234226117.db2.gz QLHNZTICMCZQRI-JKSUJKDBSA-N 2 1 270.436 3.323 20 0 CGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCF)C1 ZINC000367544899 234226122 /nfs/dbraw/zinc/22/61/22/234226122.db2.gz QLHNZTICMCZQRI-JKSUJKDBSA-N 2 1 270.436 3.323 20 0 CGADMP Cc1ccnc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000367616971 234234618 /nfs/dbraw/zinc/23/46/18/234234618.db2.gz MSBCXMGMYWHSPB-WZYMTQMTSA-N 2 1 273.424 3.056 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)c1ccccc1 ZINC000152377843 188013667 /nfs/dbraw/zinc/01/36/67/188013667.db2.gz NDAWSVJWAIWQFH-CVEARBPZSA-N 2 1 286.463 3.427 20 0 CGADMP CC[C@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152928480 188053442 /nfs/dbraw/zinc/05/34/42/188053442.db2.gz OARWJHVMPIFUFC-XJKSGUPXSA-N 2 1 287.407 3.256 20 0 CGADMP c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC000368232117 234293347 /nfs/dbraw/zinc/29/33/47/234293347.db2.gz POVDBEFOKUZDDU-MRXNPFEDSA-N 2 1 277.371 3.210 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000368489158 234312693 /nfs/dbraw/zinc/31/26/93/234312693.db2.gz YDMSGMUNFCLPHS-UHOSZYNNSA-N 2 1 284.447 3.429 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000369111037 234356487 /nfs/dbraw/zinc/35/64/87/234356487.db2.gz FFWBUDYPLZHJPB-WMZOPIPTSA-N 2 1 298.434 3.293 20 0 CGADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccncc1 ZINC000156593233 188270726 /nfs/dbraw/zinc/27/07/26/188270726.db2.gz YBLWYGVJODWPKB-OAHLLOKOSA-N 2 1 263.429 3.244 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000156660814 188275677 /nfs/dbraw/zinc/27/56/77/188275677.db2.gz CCFJCVIDZGBSOG-QAPCUYQASA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000156660814 188275679 /nfs/dbraw/zinc/27/56/79/188275679.db2.gz CCFJCVIDZGBSOG-QAPCUYQASA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC2)CC[NH+]1Cc1ccccc1 ZINC000156660814 188275680 /nfs/dbraw/zinc/27/56/80/188275680.db2.gz CCFJCVIDZGBSOG-QAPCUYQASA-N 2 1 272.436 3.381 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC2)CC[NH+]1Cc1ccccc1 ZINC000156660814 188275681 /nfs/dbraw/zinc/27/56/81/188275681.db2.gz CCFJCVIDZGBSOG-QAPCUYQASA-N 2 1 272.436 3.381 20 0 CGADMP Cc1oc2ccccc2c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292730378 198391577 /nfs/dbraw/zinc/39/15/77/198391577.db2.gz GFJPMFPNWIGRCK-SFHVURJKSA-N 2 1 284.403 3.269 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271858675 191372606 /nfs/dbraw/zinc/37/26/06/191372606.db2.gz JWRSENZVPFUWHB-ZDUSSCGKSA-N 2 1 278.827 3.123 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414199622 235362091 /nfs/dbraw/zinc/36/20/91/235362091.db2.gz XOKNIFLURXORRR-RISCZKNCSA-N 2 1 281.469 3.142 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414170506 235353131 /nfs/dbraw/zinc/35/31/31/235353131.db2.gz CHMNHSXAFCOWAG-HOTGVXAUSA-N 2 1 260.425 3.378 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)[C@@H]2CCC[C@@H]21 ZINC000353635067 283135029 /nfs/dbraw/zinc/13/50/29/283135029.db2.gz YDRJNBMNTFPVAG-IEKCDTDMSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1cc(NCC2=CC[N@@H+](C)CC2)c2ccccc2[nH+]1 ZINC000273570747 192209498 /nfs/dbraw/zinc/20/94/98/192209498.db2.gz ACJIVJANBPZHEW-UHFFFAOYSA-N 2 1 267.376 3.217 20 0 CGADMP CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273773889 192301327 /nfs/dbraw/zinc/30/13/27/192301327.db2.gz RMEHQJQFYDQOJB-DOTOQJQBSA-N 2 1 292.492 3.382 20 0 CGADMP CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273773889 192301331 /nfs/dbraw/zinc/30/13/31/192301331.db2.gz RMEHQJQFYDQOJB-DOTOQJQBSA-N 2 1 292.492 3.382 20 0 CGADMP CCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000107775377 138358988 /nfs/dbraw/zinc/35/89/88/138358988.db2.gz VBGCCAHCHWXAMS-IAGOWNOFSA-N 2 1 288.435 3.192 20 0 CGADMP CCCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000107775377 138358989 /nfs/dbraw/zinc/35/89/89/138358989.db2.gz VBGCCAHCHWXAMS-IAGOWNOFSA-N 2 1 288.435 3.192 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000124758204 138377291 /nfs/dbraw/zinc/37/72/91/138377291.db2.gz PBVVVUIUKAFZHA-NSHDSACASA-N 2 1 274.330 3.308 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CC(C)C)C1 ZINC000124818072 138377964 /nfs/dbraw/zinc/37/79/64/138377964.db2.gz TVRQRGPIPZCCJQ-MRXNPFEDSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000124818072 138377966 /nfs/dbraw/zinc/37/79/66/138377966.db2.gz TVRQRGPIPZCCJQ-MRXNPFEDSA-N 2 1 263.429 3.340 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2C)CC1 ZINC000129015040 138395413 /nfs/dbraw/zinc/39/54/13/138395413.db2.gz ZEWMWKHJVHWFIL-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP COCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183186231 138433813 /nfs/dbraw/zinc/43/38/13/138433813.db2.gz NDTIQGMJQXZLLA-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cc2cc([C@H](C)[NH2+]CC(C)(C)[NH3+])oc2cc1C ZINC000423287543 236024517 /nfs/dbraw/zinc/02/45/17/236024517.db2.gz MWENSEHNKWSAAG-LBPRGKRZSA-N 2 1 260.381 3.438 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000423328490 236040065 /nfs/dbraw/zinc/04/00/65/236040065.db2.gz OFGCOSMEQXMGHC-HUUCEWRRSA-N 2 1 268.404 3.144 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423332677 236041898 /nfs/dbraw/zinc/04/18/98/236041898.db2.gz QZQJXOQIZBARGI-KYOSRNDESA-N 2 1 266.816 3.303 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1F ZINC000423333537 236042065 /nfs/dbraw/zinc/04/20/65/236042065.db2.gz RWRXWBGJBDQVGU-SNVBAGLBSA-N 2 1 268.401 3.080 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423336954 236043672 /nfs/dbraw/zinc/04/36/72/236043672.db2.gz UWOSEYZZUSOWJV-OSAQELSMSA-N 2 1 266.816 3.303 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423373678 236054475 /nfs/dbraw/zinc/05/44/75/236054475.db2.gz JIJGENPSIAIIRJ-AVGNSLFASA-N 2 1 298.377 3.388 20 0 CGADMP C[C@@H]([C@H](C)[NH2+]C[C@H]1CC[NH2+]CC1(F)F)C1CCCCC1 ZINC000423487153 236084361 /nfs/dbraw/zinc/08/43/61/236084361.db2.gz VFQNAISZIIZIDF-KCQAQPDRSA-N 2 1 288.426 3.426 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cnn1C(C)(C)C ZINC000423495680 236087099 /nfs/dbraw/zinc/08/70/99/236087099.db2.gz CLZMUOLCFRKFJC-LRDDRELGSA-N 2 1 292.471 3.115 20 0 CGADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423514874 236091241 /nfs/dbraw/zinc/09/12/41/236091241.db2.gz XAHWZKZOYFSOCQ-DYVFJYSZSA-N 2 1 286.419 3.471 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000294383129 199019340 /nfs/dbraw/zinc/01/93/40/199019340.db2.gz INBFABSEHFDDJH-TZMCWYRMSA-N 2 1 252.427 3.131 20 0 CGADMP CCOc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424381503 236159062 /nfs/dbraw/zinc/15/90/62/236159062.db2.gz QWYVNKZHMWTGCW-HNNXBMFYSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)s1)CC[NH2+]CC2 ZINC000424286062 236142373 /nfs/dbraw/zinc/14/23/73/236142373.db2.gz GWQCHFWPFMHTOC-LLVKDONJSA-N 2 1 284.856 3.366 20 0 CGADMP CCC(CC)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000248830340 138554247 /nfs/dbraw/zinc/55/42/47/138554247.db2.gz HGZSVNAQKSJAGL-AJYUKVHDSA-N 2 1 294.483 3.185 20 0 CGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CCCO2 ZINC000425924517 236273162 /nfs/dbraw/zinc/27/31/62/236273162.db2.gz PNXBCPDPVUMMNZ-GUYCJALGSA-N 2 1 290.451 3.304 20 0 CGADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CCC[C@@H]43)cc2)cn1 ZINC000426492620 236298742 /nfs/dbraw/zinc/29/87/42/236298742.db2.gz SYZHBQMDMZKPFW-WBVHZDCISA-N 2 1 267.376 3.247 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000436275904 237069466 /nfs/dbraw/zinc/06/94/66/237069466.db2.gz PXERFEPDEVRBJN-NZSAHSFTSA-N 2 1 286.463 3.328 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000297560676 200228695 /nfs/dbraw/zinc/22/86/95/200228695.db2.gz QNTCUJJOJXHGKO-WBMJQRKESA-N 2 1 281.359 3.341 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1cccs1 ZINC000297794505 200282238 /nfs/dbraw/zinc/28/22/38/200282238.db2.gz XACCUJLSPCTREW-CYBMUJFWSA-N 2 1 278.465 3.143 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC000297776940 200279483 /nfs/dbraw/zinc/27/94/83/200279483.db2.gz MKPNWAJIOZOTJP-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC000297776940 200279484 /nfs/dbraw/zinc/27/94/84/200279484.db2.gz MKPNWAJIOZOTJP-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC000297776940 200279486 /nfs/dbraw/zinc/27/94/86/200279486.db2.gz MKPNWAJIOZOTJP-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000341969464 216171813 /nfs/dbraw/zinc/17/18/13/216171813.db2.gz PDTZYPMJLHSMCL-TYNCELHUSA-N 2 1 296.455 3.366 20 0 CGADMP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000341969464 216171816 /nfs/dbraw/zinc/17/18/16/216171816.db2.gz PDTZYPMJLHSMCL-TYNCELHUSA-N 2 1 296.455 3.366 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000177892394 189076899 /nfs/dbraw/zinc/07/68/99/189076899.db2.gz LVEBKVSRUOIENK-NTZNESFSSA-N 2 1 286.872 3.262 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc3ccccc32)CC[N@H+]1C ZINC000177984067 189082789 /nfs/dbraw/zinc/08/27/89/189082789.db2.gz GJTVQMPWQPSELI-YJBOKZPZSA-N 2 1 282.431 3.455 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000178705273 189139089 /nfs/dbraw/zinc/13/90/89/189139089.db2.gz VLBGJXLHUGLSES-STQMWFEESA-N 2 1 275.371 3.318 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3c(F)cccc3Cl)C[C@@H]21 ZINC000342081565 216212605 /nfs/dbraw/zinc/21/26/05/216212605.db2.gz HCXFERWIGMJXJI-DETPVDSQSA-N 2 1 296.817 3.081 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOCC12CCCCC2 ZINC000451816587 240365934 /nfs/dbraw/zinc/36/59/34/240365934.db2.gz PBJJMVUQZJHARM-UHFFFAOYSA-N 2 1 291.439 3.007 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOCC12CCCCC2 ZINC000451816587 240365939 /nfs/dbraw/zinc/36/59/39/240365939.db2.gz PBJJMVUQZJHARM-UHFFFAOYSA-N 2 1 291.439 3.007 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000181509244 189298774 /nfs/dbraw/zinc/29/87/74/189298774.db2.gz PQBMMNHLBFCALC-WBVHZDCISA-N 2 1 272.436 3.082 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000181509225 189299074 /nfs/dbraw/zinc/29/90/74/189299074.db2.gz PQBMMNHLBFCALC-DOTOQJQBSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)[N@@H+](C)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000301528089 201049384 /nfs/dbraw/zinc/04/93/84/201049384.db2.gz GSTHLNIAWFALNM-UHFFFAOYSA-N 2 1 261.344 3.126 20 0 CGADMP c1c2cccnc2oc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000449027487 239128054 /nfs/dbraw/zinc/12/80/54/239128054.db2.gz IPICRYAHXCVRCY-OAHLLOKOSA-N 2 1 299.418 3.136 20 0 CGADMP c1c2cccnc2oc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000449027487 239128060 /nfs/dbraw/zinc/12/80/60/239128060.db2.gz IPICRYAHXCVRCY-OAHLLOKOSA-N 2 1 299.418 3.136 20 0 CGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000449108844 239182876 /nfs/dbraw/zinc/18/28/76/239182876.db2.gz WFKQXNSCDBSZMM-SJLPKXTDSA-N 2 1 296.499 3.292 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449250839 239270620 /nfs/dbraw/zinc/27/06/20/239270620.db2.gz MQOAHUSRGAGZLK-UHFFFAOYSA-N 2 1 296.414 3.200 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000119692568 370698894 /nfs/dbraw/zinc/69/88/94/370698894.db2.gz KXUXRTIRNARGGH-KRWDZBQOSA-N 2 1 274.383 3.029 20 0 CGADMP Cc1ccc2[nH+]ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000450832043 240106342 /nfs/dbraw/zinc/10/63/42/240106342.db2.gz VBFHHLMSNPDLRS-GOOCMWNKSA-N 2 1 281.403 3.002 20 0 CGADMP CCc1ccc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000120820001 370803610 /nfs/dbraw/zinc/80/36/10/370803610.db2.gz GDGZFFFVNHOZEF-OAHLLOKOSA-N 2 1 278.440 3.300 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000120820001 370803615 /nfs/dbraw/zinc/80/36/15/370803615.db2.gz GDGZFFFVNHOZEF-OAHLLOKOSA-N 2 1 278.440 3.300 20 0 CGADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000120820001 370803620 /nfs/dbraw/zinc/80/36/20/370803620.db2.gz GDGZFFFVNHOZEF-OAHLLOKOSA-N 2 1 278.440 3.300 20 0 CGADMP CC(C)Oc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000275590828 193081591 /nfs/dbraw/zinc/08/15/91/193081591.db2.gz JVEWLWKXVNMLCJ-YJBOKZPZSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000275590828 193081593 /nfs/dbraw/zinc/08/15/93/193081593.db2.gz JVEWLWKXVNMLCJ-YJBOKZPZSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000275590828 193081595 /nfs/dbraw/zinc/08/15/95/193081595.db2.gz JVEWLWKXVNMLCJ-YJBOKZPZSA-N 2 1 290.451 3.246 20 0 CGADMP CC(C)Oc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000275590828 193081596 /nfs/dbraw/zinc/08/15/96/193081596.db2.gz JVEWLWKXVNMLCJ-YJBOKZPZSA-N 2 1 290.451 3.246 20 0 CGADMP C[C@@H]1C[C@]1([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000459430509 242104325 /nfs/dbraw/zinc/10/43/25/242104325.db2.gz IVHGPNPFTYGCLF-MLGOLLRUSA-N 2 1 289.810 3.141 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000459441331 242110533 /nfs/dbraw/zinc/11/05/33/242110533.db2.gz NUYAMUFUAIALJB-UHFFFAOYSA-N 2 1 264.457 3.419 20 0 CGADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000459490781 242124300 /nfs/dbraw/zinc/12/43/00/242124300.db2.gz YUAVANVYQSDBIW-DLBZAZTESA-N 2 1 262.441 3.172 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000459373670 242094195 /nfs/dbraw/zinc/09/41/95/242094195.db2.gz LEUFFJSFYZCAMC-KSSFIOAISA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000459373670 242094198 /nfs/dbraw/zinc/09/41/98/242094198.db2.gz LEUFFJSFYZCAMC-KSSFIOAISA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)CC[NH+]1C ZINC000459373670 242094201 /nfs/dbraw/zinc/09/42/01/242094201.db2.gz LEUFFJSFYZCAMC-KSSFIOAISA-N 2 1 272.436 3.479 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)CC[NH+]1C ZINC000459373670 242094202 /nfs/dbraw/zinc/09/42/02/242094202.db2.gz LEUFFJSFYZCAMC-KSSFIOAISA-N 2 1 272.436 3.479 20 0 CGADMP C[C@@H](CCc1ccccc1F)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459792511 242237529 /nfs/dbraw/zinc/23/75/29/242237529.db2.gz SEMCEJJPSLRIHS-JKSUJKDBSA-N 2 1 292.442 3.468 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000121738400 370892028 /nfs/dbraw/zinc/89/20/28/370892028.db2.gz YTXMUWINUUFXQH-UHFFFAOYSA-N 2 1 260.425 3.138 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000480658635 243159826 /nfs/dbraw/zinc/15/98/26/243159826.db2.gz BFVZMLZYIMPKQR-UKRRQHHQSA-N 2 1 296.405 3.360 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1csc(Cl)c1 ZINC000423408324 299388258 /nfs/dbraw/zinc/38/82/58/299388258.db2.gz XHXMWFIRHJOWFT-ATZCPNFKSA-N 2 1 258.818 3.050 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483242064 243267889 /nfs/dbraw/zinc/26/78/89/243267889.db2.gz JYDOGORAFYXRRP-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483242064 243267894 /nfs/dbraw/zinc/26/78/94/243267894.db2.gz JYDOGORAFYXRRP-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483242064 243267898 /nfs/dbraw/zinc/26/78/98/243267898.db2.gz JYDOGORAFYXRRP-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000483732692 243296129 /nfs/dbraw/zinc/29/61/29/243296129.db2.gz MLVHRGZAEYYERX-RVKKMQEKSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000020553442 368808402 /nfs/dbraw/zinc/80/84/02/368808402.db2.gz PFLGVUUXMNIKOL-HUUCEWRRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036937791 369041281 /nfs/dbraw/zinc/04/12/81/369041281.db2.gz PUMGQPLAARBIEN-RJCAOGMDSA-N 2 1 292.854 3.486 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037099279 369061752 /nfs/dbraw/zinc/06/17/52/369061752.db2.gz MEOWFLCQLXXCHB-KPHYFBGPSA-N 2 1 292.389 3.426 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000037644267 369094704 /nfs/dbraw/zinc/09/47/04/369094704.db2.gz ZAVWSAUICJGUBU-QWHCGFSZSA-N 2 1 298.377 3.280 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649307 369098056 /nfs/dbraw/zinc/09/80/56/369098056.db2.gz QPAFCKKRARPABK-HUUCEWRRSA-N 2 1 288.435 3.139 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1ccccc1)C1CCCCC1 ZINC000037860277 369121153 /nfs/dbraw/zinc/12/11/53/369121153.db2.gz METYMEHZKFNBRF-UHFFFAOYSA-N 2 1 260.425 3.431 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000037934922 369126392 /nfs/dbraw/zinc/12/63/92/369126392.db2.gz YHRVNODZLDJQBE-INMHGKMJSA-N 2 1 274.452 3.283 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494327399 244280962 /nfs/dbraw/zinc/28/09/62/244280962.db2.gz JLDRIZJLILJZQB-UHFFFAOYSA-N 2 1 291.464 3.426 20 0 CGADMP C(=C/c1ccncc1)\C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000494933801 244333757 /nfs/dbraw/zinc/33/37/57/244333757.db2.gz VYPIGVGWHGPZKP-YZTRRJNXSA-N 2 1 285.435 3.045 20 0 CGADMP C(=C/c1ccncc1)\C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000494933801 244333761 /nfs/dbraw/zinc/33/37/61/244333761.db2.gz VYPIGVGWHGPZKP-YZTRRJNXSA-N 2 1 285.435 3.045 20 0 CGADMP CC[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000495170082 244361174 /nfs/dbraw/zinc/36/11/74/244361174.db2.gz YCOVAHSPGZVJJC-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000495170082 244361182 /nfs/dbraw/zinc/36/11/82/244361182.db2.gz YCOVAHSPGZVJJC-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000495170082 244361188 /nfs/dbraw/zinc/36/11/88/244361188.db2.gz YCOVAHSPGZVJJC-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000495170082 244361192 /nfs/dbraw/zinc/36/11/92/244361192.db2.gz YCOVAHSPGZVJJC-KBAYOESNSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1OC ZINC000049554027 369409102 /nfs/dbraw/zinc/40/91/02/369409102.db2.gz YFVHIKJMGFSNRB-ZFWWWQNUSA-N 2 1 264.413 3.076 20 0 CGADMP CCCc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000056522895 369527099 /nfs/dbraw/zinc/52/70/99/369527099.db2.gz RNLLCMFNROTLMO-UHFFFAOYSA-N 2 1 295.496 3.259 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)C[NH+]1CCCC1 ZINC000062077932 369617392 /nfs/dbraw/zinc/61/73/92/369617392.db2.gz JGWFOOVJEJHCOX-KBPBESRZSA-N 2 1 264.388 3.208 20 0 CGADMP FC(F)(F)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000068634800 369745450 /nfs/dbraw/zinc/74/54/50/369745450.db2.gz OFRLVPYSIXWXOK-PQAZSJQKSA-N 2 1 290.373 3.324 20 0 CGADMP FC(F)(F)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000068634800 369745455 /nfs/dbraw/zinc/74/54/55/369745455.db2.gz OFRLVPYSIXWXOK-PQAZSJQKSA-N 2 1 290.373 3.324 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000072858246 369841670 /nfs/dbraw/zinc/84/16/70/369841670.db2.gz UAGCTYPOPZRZRY-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000072858246 369841672 /nfs/dbraw/zinc/84/16/72/369841672.db2.gz UAGCTYPOPZRZRY-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000072858246 369841675 /nfs/dbraw/zinc/84/16/75/369841675.db2.gz UAGCTYPOPZRZRY-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000072858246 369841680 /nfs/dbraw/zinc/84/16/80/369841680.db2.gz UAGCTYPOPZRZRY-UONOGXRCSA-N 2 1 264.388 3.160 20 0 CGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173914 369787440 /nfs/dbraw/zinc/78/74/40/369787440.db2.gz NUBBPBXOYBYXHJ-IAGOWNOFSA-N 2 1 290.451 3.132 20 0 CGADMP CC(C)CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446387 369938191 /nfs/dbraw/zinc/93/81/91/369938191.db2.gz HUAWBYFMHCFJIL-KRWDZBQOSA-N 2 1 260.425 3.144 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000076446377 369938934 /nfs/dbraw/zinc/93/89/34/369938934.db2.gz GQCXORGXDOLTHN-MRXNPFEDSA-N 2 1 258.409 3.041 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000090720586 370065215 /nfs/dbraw/zinc/06/52/15/370065215.db2.gz LODRILPDMIEKSC-WBVHZDCISA-N 2 1 260.425 3.184 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000090720709 370065643 /nfs/dbraw/zinc/06/56/43/370065643.db2.gz TVMCLYMLGZLLDJ-JQWIXIFHSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000090720709 370065649 /nfs/dbraw/zinc/06/56/49/370065649.db2.gz TVMCLYMLGZLLDJ-JQWIXIFHSA-N 2 1 270.779 3.051 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043026 370089716 /nfs/dbraw/zinc/08/97/16/370089716.db2.gz VXVFJOOZLAYKRE-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043026 370089719 /nfs/dbraw/zinc/08/97/19/370089719.db2.gz VXVFJOOZLAYKRE-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043026 370089722 /nfs/dbraw/zinc/08/97/22/370089722.db2.gz VXVFJOOZLAYKRE-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066116 370092736 /nfs/dbraw/zinc/09/27/36/370092736.db2.gz MMLZTDNCKQMIRO-KDOFPFPSSA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066116 370092738 /nfs/dbraw/zinc/09/27/38/370092738.db2.gz MMLZTDNCKQMIRO-KDOFPFPSSA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066116 370092740 /nfs/dbraw/zinc/09/27/40/370092740.db2.gz MMLZTDNCKQMIRO-KDOFPFPSSA-N 2 1 288.435 3.291 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066116 370092741 /nfs/dbraw/zinc/09/27/41/370092741.db2.gz MMLZTDNCKQMIRO-KDOFPFPSSA-N 2 1 288.435 3.291 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000093515807 370139215 /nfs/dbraw/zinc/13/92/15/370139215.db2.gz KAKFWFFXNXWFDA-NVXWUHKLSA-N 3 1 295.515 3.150 20 0 CGADMP c1csc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563757 370142190 /nfs/dbraw/zinc/14/21/90/370142190.db2.gz LXTCOWLEAYRUOQ-AWEZNQCLSA-N 2 1 264.438 3.198 20 0 CGADMP c1csc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563757 370142195 /nfs/dbraw/zinc/14/21/95/370142195.db2.gz LXTCOWLEAYRUOQ-AWEZNQCLSA-N 2 1 264.438 3.198 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000110056307 370369061 /nfs/dbraw/zinc/36/90/61/370369061.db2.gz CJDPGCXGUZLCIP-QWHCGFSZSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000110056307 370369065 /nfs/dbraw/zinc/36/90/65/370369065.db2.gz CJDPGCXGUZLCIP-QWHCGFSZSA-N 2 1 282.790 3.196 20 0 CGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc[nH]c2)C[N@H+]1Cc1ccccc1 ZINC000513504747 245083217 /nfs/dbraw/zinc/08/32/17/245083217.db2.gz FHSJQMITXXWMEI-FUHWJXTLSA-N 2 1 297.446 3.405 20 0 CGADMP CCCn1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cn1 ZINC000116912798 370575130 /nfs/dbraw/zinc/57/51/30/370575130.db2.gz XEWNNUOPUGHSMO-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP CCCn1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1 ZINC000116912798 370575134 /nfs/dbraw/zinc/57/51/34/370575134.db2.gz XEWNNUOPUGHSMO-UHFFFAOYSA-N 2 1 292.471 3.037 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130238245 371020363 /nfs/dbraw/zinc/02/03/63/371020363.db2.gz DQWRVVRFPBPFRF-HYVNUMGLSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130314726 371024120 /nfs/dbraw/zinc/02/41/20/371024120.db2.gz KOOPWTRNBQCLQG-HOTGVXAUSA-N 2 1 272.436 3.438 20 0 CGADMP FC(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000131406759 371106812 /nfs/dbraw/zinc/10/68/12/371106812.db2.gz JOLXJWRDFCTJOE-LSDHHAIUSA-N 2 1 280.362 3.341 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000133560801 371262173 /nfs/dbraw/zinc/26/21/73/371262173.db2.gz RQDRZRCRXJDVNC-FUHWJXTLSA-N 2 1 274.452 3.187 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000133391093 371247804 /nfs/dbraw/zinc/24/78/04/371247804.db2.gz SUBAUBVKVDSMDM-CQSZACIVSA-N 2 1 272.795 3.284 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2F)CC[N@H+]1C ZINC000133810813 371282120 /nfs/dbraw/zinc/28/21/20/371282120.db2.gz MBDSBTOYIAWXBS-ZIAGYGMSSA-N 2 1 278.415 3.176 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1OC(F)F ZINC000133692449 371273178 /nfs/dbraw/zinc/27/31/78/371273178.db2.gz QTICLGOJDUFRCS-VXGBXAGGSA-N 2 1 284.350 3.081 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccc1Cl ZINC000336715286 213587899 /nfs/dbraw/zinc/58/78/99/213587899.db2.gz PLXXBNBZSVTPHZ-NWDGAFQWSA-N 2 1 254.805 3.188 20 0 CGADMP Clc1ccccc1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150758529 371536293 /nfs/dbraw/zinc/53/62/93/371536293.db2.gz DDFNXWWPVOHLJU-OAHLLOKOSA-N 2 1 292.854 3.300 20 0 CGADMP Clc1ccccc1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150758529 371536299 /nfs/dbraw/zinc/53/62/99/371536299.db2.gz DDFNXWWPVOHLJU-OAHLLOKOSA-N 2 1 292.854 3.300 20 0 CGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000421852294 371674067 /nfs/dbraw/zinc/67/40/67/371674067.db2.gz GXOGVBQSGMCWLM-NWDGAFQWSA-N 2 1 284.831 3.197 20 0 CGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000287214364 371622026 /nfs/dbraw/zinc/62/20/26/371622026.db2.gz XDKDNXLHURAEGP-JFIYKMOQSA-N 2 1 290.451 3.054 20 0 CGADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000287214364 371622037 /nfs/dbraw/zinc/62/20/37/371622037.db2.gz XDKDNXLHURAEGP-JFIYKMOQSA-N 2 1 290.451 3.054 20 0 CGADMP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000152411309 371693602 /nfs/dbraw/zinc/69/36/02/371693602.db2.gz VCMPATARBFSVHZ-BBRMVZONSA-N 2 1 288.435 3.367 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]CCC[NH+](CC)CC ZINC000337346093 214021072 /nfs/dbraw/zinc/02/10/72/214021072.db2.gz VSZUHYMZSKEKQZ-UHFFFAOYSA-N 2 1 278.440 3.079 20 0 CGADMP COc1ccccc1/C=C\C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422564959 371751827 /nfs/dbraw/zinc/75/18/27/371751827.db2.gz XCFPXPSWENMLBB-QVIDFCHCSA-N 2 1 288.435 3.014 20 0 CGADMP Cc1cc2cc(C[NH+]3CCC4(CC[NH2+]4)CC3)oc2cc1C ZINC000422562694 371752821 /nfs/dbraw/zinc/75/28/21/371752821.db2.gz QRYYDMSEYAWITB-UHFFFAOYSA-N 2 1 284.403 3.378 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000422726374 371769663 /nfs/dbraw/zinc/76/96/63/371769663.db2.gz DSWXHXYCYSUZAR-KBPBESRZSA-N 2 1 252.789 3.090 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422729679 371770306 /nfs/dbraw/zinc/77/03/06/371770306.db2.gz IICCKJJIVUBHFI-IBGZPJMESA-N 2 1 280.415 3.426 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCNc2ccccc2)c2ccccc21 ZINC000422757436 371786077 /nfs/dbraw/zinc/78/60/77/371786077.db2.gz MUABPIBQPRKMPJ-ZWKOTPCHSA-N 2 1 281.403 3.223 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422755044 371787943 /nfs/dbraw/zinc/78/79/43/371787943.db2.gz FGZFPFJPFZGSKX-KBPBESRZSA-N 2 1 284.350 3.038 20 0 CGADMP C[C@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1F)C1C[NH2+]C1 ZINC000422779780 371800337 /nfs/dbraw/zinc/80/03/37/371800337.db2.gz IVOJTBORHFNFDI-IFXJQAMLSA-N 2 1 298.405 3.307 20 0 CGADMP Cc1cc(C)c(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000422780492 371803631 /nfs/dbraw/zinc/80/36/31/371803631.db2.gz KEJQSZXIBIUQJC-CQSZACIVSA-N 2 1 269.392 3.270 20 0 CGADMP COCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422801424 371819127 /nfs/dbraw/zinc/81/91/27/371819127.db2.gz BXEWPQQZPJYLSB-MSOLQXFVSA-N 2 1 282.387 3.067 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422837956 371835227 /nfs/dbraw/zinc/83/52/27/371835227.db2.gz NFYOAYWTWREGME-UMVBOHGHSA-N 2 1 296.842 3.228 20 0 CGADMP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422820758 371828813 /nfs/dbraw/zinc/82/88/13/371828813.db2.gz SDMGTCOQXWHRGT-YNEHKIRRSA-N 2 1 279.453 3.209 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422877996 371850136 /nfs/dbraw/zinc/85/01/36/371850136.db2.gz INCRUODSUGBKGU-MOPGFXCFSA-N 2 1 296.414 3.235 20 0 CGADMP C[C@H]([NH2+]CCCOc1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000422884937 371854068 /nfs/dbraw/zinc/85/40/68/371854068.db2.gz GAZNOZSOGJTWPF-HNAYVOBHSA-N 2 1 298.430 3.339 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422890208 371854697 /nfs/dbraw/zinc/85/46/97/371854697.db2.gz HWVMTSATQKEXLK-RTBURBONSA-N 2 1 296.414 3.235 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000422855231 371840501 /nfs/dbraw/zinc/84/05/01/371840501.db2.gz VEDSXPJEDMJYNW-BBRMVZONSA-N 2 1 278.415 3.224 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000422855233 371842733 /nfs/dbraw/zinc/84/27/33/371842733.db2.gz VEDSXPJEDMJYNW-CZUORRHYSA-N 2 1 278.415 3.224 20 0 CGADMP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423050084 371934115 /nfs/dbraw/zinc/93/41/15/371934115.db2.gz LGLOLCMKWJGRDL-DZJNRPSUSA-N 2 1 288.435 3.027 20 0 CGADMP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423056543 371937617 /nfs/dbraw/zinc/93/76/17/371937617.db2.gz YHEKJKRDGOFQEP-CQSZACIVSA-N 2 1 298.430 3.325 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423055743 371937852 /nfs/dbraw/zinc/93/78/52/371937852.db2.gz WZJMLSGZBOSCAP-GFCCVEGCSA-N 2 1 295.386 3.442 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](CCc1cncn1C)Cc1ccccc1 ZINC000290055836 371889490 /nfs/dbraw/zinc/88/94/90/371889490.db2.gz PATGNXWIZBWDLM-HNNXBMFYSA-N 2 1 283.419 3.263 20 0 CGADMP CC1(C)C[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422954304 371891197 /nfs/dbraw/zinc/89/11/97/371891197.db2.gz HXACQSRNNQMCCC-OWCLPIDISA-N 2 1 258.409 3.115 20 0 CGADMP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422968494 371895782 /nfs/dbraw/zinc/89/57/82/371895782.db2.gz RGYJAQSRNQAYGC-LHUBUQBQSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000423002159 371909497 /nfs/dbraw/zinc/90/94/97/371909497.db2.gz YKVNHAOVVRKJQG-AWEZNQCLSA-N 2 1 281.403 3.168 20 0 CGADMP CC(C)[NH+]1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC000290144053 371914928 /nfs/dbraw/zinc/91/49/28/371914928.db2.gz KWOSGDNAJHBDPR-UHFFFAOYSA-N 2 1 259.397 3.244 20 0 CGADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000423019508 371918471 /nfs/dbraw/zinc/91/84/71/371918471.db2.gz WARYUQPPKAJSQW-BZUAXINKSA-N 2 1 293.842 3.135 20 0 CGADMP CC[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)[C@@H]1CCC[NH2+]1 ZINC000423048646 371933086 /nfs/dbraw/zinc/93/30/86/371933086.db2.gz JAQVLPRJHFQBBW-MOPGFXCFSA-N 2 1 295.430 3.369 20 0 CGADMP C[N@H+]1CC[C@@H]2CCN(C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306019 371959758 /nfs/dbraw/zinc/95/97/58/371959758.db2.gz IIJSZRPZFSYEKG-DTPTURRISA-N 2 1 292.373 3.004 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156081251 371959952 /nfs/dbraw/zinc/95/99/52/371959952.db2.gz BJXLJZRYRNAEJV-ZDUSSCGKSA-N 2 1 268.351 3.056 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000156081251 371959955 /nfs/dbraw/zinc/95/99/55/371959955.db2.gz BJXLJZRYRNAEJV-ZDUSSCGKSA-N 2 1 268.351 3.056 20 0 CGADMP C[C@@H]([NH2+]CCc1cc2ccccc2s1)[C@H]1CCC[NH2+]1 ZINC000423126576 371979219 /nfs/dbraw/zinc/97/92/19/371979219.db2.gz BAAXLTBTJHANRM-IUODEOHRSA-N 2 1 274.433 3.174 20 0 CGADMP C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)c1c[nH+]ccc1N ZINC000423137721 371986885 /nfs/dbraw/zinc/98/68/85/371986885.db2.gz WYQXELFXPILYIK-CXAGYDPISA-N 2 1 281.403 3.339 20 0 CGADMP CCC[N@@H+](CC)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000156773964 371995536 /nfs/dbraw/zinc/99/55/36/371995536.db2.gz KSQGTOLDKQGBOM-UHFFFAOYSA-N 2 1 295.515 3.105 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3c[nH+]ccc3N)C2)c1 ZINC000423164903 371998583 /nfs/dbraw/zinc/99/85/83/371998583.db2.gz TYJDDEWOEPVVDK-BPLDGKMQSA-N 2 1 297.402 3.100 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423070816 371947116 /nfs/dbraw/zinc/94/71/16/371947116.db2.gz DNSJZSQABIFZSK-ZDUSSCGKSA-N 2 1 284.407 3.167 20 0 CGADMP Cc1cccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000423190641 372016900 /nfs/dbraw/zinc/01/69/00/372016900.db2.gz RFYJWRIWNBEKSS-INIZCTEOSA-N 2 1 283.419 3.221 20 0 CGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1C(C)(C)C1(C)C ZINC000423190630 372016970 /nfs/dbraw/zinc/01/69/70/372016970.db2.gz REFPWCZHUDJVBS-AWEZNQCLSA-N 2 1 289.467 3.222 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157438280 372022226 /nfs/dbraw/zinc/02/22/26/372022226.db2.gz VKQUHSLXSNIKHX-LJQANCHMSA-N 2 1 286.463 3.488 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(O)c1 ZINC000423199172 372022885 /nfs/dbraw/zinc/02/28/85/372022885.db2.gz JJQWFVFGJUXYCP-CYBMUJFWSA-N 2 1 262.397 3.095 20 0 CGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCC[NH2+]C ZINC000423199307 372023352 /nfs/dbraw/zinc/02/33/52/372023352.db2.gz JPJWUYFUTKKYDO-GFCCVEGCSA-N 2 1 252.427 3.059 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290622256 372029900 /nfs/dbraw/zinc/02/99/00/372029900.db2.gz XIKUAJZYJOVYHJ-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290622256 372029906 /nfs/dbraw/zinc/02/99/06/372029906.db2.gz XIKUAJZYJOVYHJ-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290622256 372029913 /nfs/dbraw/zinc/02/99/13/372029913.db2.gz XIKUAJZYJOVYHJ-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290622256 372029917 /nfs/dbraw/zinc/02/99/17/372029917.db2.gz XIKUAJZYJOVYHJ-NVXWUHKLSA-N 2 1 260.425 3.075 20 0 CGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000290639646 372032474 /nfs/dbraw/zinc/03/24/74/372032474.db2.gz YKJBJBAEWGSSRY-IUODEOHRSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000290639646 372032481 /nfs/dbraw/zinc/03/24/81/372032481.db2.gz YKJBJBAEWGSSRY-IUODEOHRSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000290639646 372032486 /nfs/dbraw/zinc/03/24/86/372032486.db2.gz YKJBJBAEWGSSRY-IUODEOHRSA-N 2 1 296.842 3.121 20 0 CGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000290639646 372032494 /nfs/dbraw/zinc/03/24/94/372032494.db2.gz YKJBJBAEWGSSRY-IUODEOHRSA-N 2 1 296.842 3.121 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C1CC1 ZINC000423310668 372049941 /nfs/dbraw/zinc/04/99/41/372049941.db2.gz AQGVDLIPVVMTQX-STQMWFEESA-N 2 1 285.218 3.308 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccccn1 ZINC000158107850 372053613 /nfs/dbraw/zinc/05/36/13/372053613.db2.gz XVERGWHDZGBBJM-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000158107850 372053622 /nfs/dbraw/zinc/05/36/22/372053622.db2.gz XVERGWHDZGBBJM-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000158107850 372053625 /nfs/dbraw/zinc/05/36/25/372053625.db2.gz XVERGWHDZGBBJM-NVXWUHKLSA-N 2 1 275.440 3.100 20 0 CGADMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1OC ZINC000423184427 372012914 /nfs/dbraw/zinc/01/29/14/372012914.db2.gz SZGNAQGKPFXDKD-HNNXBMFYSA-N 2 1 276.424 3.398 20 0 CGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423184146 372013017 /nfs/dbraw/zinc/01/30/17/372013017.db2.gz LPZRKDRFLDYGFY-LBPRGKRZSA-N 2 1 272.392 3.398 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccccn1 ZINC000158701405 372081187 /nfs/dbraw/zinc/08/11/87/372081187.db2.gz RREPXTCVWVGEQX-HZPDHXFCSA-N 2 1 275.440 3.244 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290965747 372083451 /nfs/dbraw/zinc/08/34/51/372083451.db2.gz WTWXPCFTHOECFJ-UHFFFAOYSA-N 2 1 299.205 3.073 20 0 CGADMP CCOCCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159039948 372102046 /nfs/dbraw/zinc/10/20/46/372102046.db2.gz ATGAJCIDNXGNMX-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@@H](C)C1 ZINC000429023844 372305645 /nfs/dbraw/zinc/30/56/45/372305645.db2.gz WFSWUDXUOQLXDU-MLHJIOFPSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H]1C[C@H](CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C[C@@H](C)C1 ZINC000429023844 372305651 /nfs/dbraw/zinc/30/56/51/372305651.db2.gz WFSWUDXUOQLXDU-MLHJIOFPSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@H]1C[C@H](CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H](C)C1 ZINC000429023844 372305655 /nfs/dbraw/zinc/30/56/55/372305655.db2.gz WFSWUDXUOQLXDU-MLHJIOFPSA-N 2 1 278.484 3.476 20 0 CGADMP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000162150708 372376657 /nfs/dbraw/zinc/37/66/57/372376657.db2.gz QXHGUVCYCWRRSQ-OAHLLOKOSA-N 2 1 260.425 3.348 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000430946208 372408680 /nfs/dbraw/zinc/40/86/80/372408680.db2.gz VBKNBNMIBAANGO-ZDUSSCGKSA-N 2 1 298.883 3.364 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000429435116 372365608 /nfs/dbraw/zinc/36/56/08/372365608.db2.gz IYARMDBUNSBNJF-XEZPLFJOSA-N 2 1 296.842 3.037 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163382148 372465290 /nfs/dbraw/zinc/46/52/90/372465290.db2.gz MUOCDVNVMUCJTI-QWHCGFSZSA-N 2 1 280.378 3.427 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000293750071 372467905 /nfs/dbraw/zinc/46/79/05/372467905.db2.gz QEJXWOIBJDHQHF-QXRTWZOPSA-N 2 1 290.426 3.392 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)[C@H](C)C1 ZINC000169185328 372627917 /nfs/dbraw/zinc/62/79/17/372627917.db2.gz YNHPGDXLQZLHJG-KGLIPLIRSA-N 2 1 280.481 3.346 20 0 CGADMP c1[nH+]c(C2CC[NH+](CCC3CC3)CC2)n2c1CCCC2 ZINC000434685750 372702801 /nfs/dbraw/zinc/70/28/01/372702801.db2.gz RFGVBMLLXVSUKL-UHFFFAOYSA-N 2 1 273.424 3.199 20 0 CGADMP COc1ccc2oc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2c1 ZINC000435368695 372753286 /nfs/dbraw/zinc/75/32/86/372753286.db2.gz BPGRVLCTYWQJNZ-CHWSQXEVSA-N 2 1 288.391 3.001 20 0 CGADMP CC[N@@H+](C/C=C/c1ccccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435395846 372757649 /nfs/dbraw/zinc/75/76/49/372757649.db2.gz VFWZHUPENRKWCT-UGAXZCSASA-N 2 1 288.435 3.172 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@H]12 ZINC000435391712 372758655 /nfs/dbraw/zinc/75/86/55/372758655.db2.gz XVCQTFGUHNOGIT-BHYGNILZSA-N 2 1 282.387 3.116 20 0 CGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435432486 372762607 /nfs/dbraw/zinc/76/26/07/372762607.db2.gz NKVCVGILAMJPJD-BWPKMQGJSA-N 2 1 280.362 3.052 20 0 CGADMP C[NH2+]CCC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000435869731 372820172 /nfs/dbraw/zinc/82/01/72/372820172.db2.gz KPRVFWIWLWTVTE-UHFFFAOYSA-N 2 1 298.430 3.307 20 0 CGADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000435869731 372820180 /nfs/dbraw/zinc/82/01/80/372820180.db2.gz KPRVFWIWLWTVTE-UHFFFAOYSA-N 2 1 298.430 3.307 20 0 CGADMP CC[N@H+](CCC[NH2+]C)Cc1ccc(Cl)c(Cl)c1 ZINC000435878485 372823265 /nfs/dbraw/zinc/82/32/65/372823265.db2.gz CDIINEQDDWYGFF-UHFFFAOYSA-N 2 1 275.223 3.425 20 0 CGADMP CC[N@@H+](CCC[NH2+]C)Cc1ccc(Cl)c(Cl)c1 ZINC000435878485 372823271 /nfs/dbraw/zinc/82/32/71/372823271.db2.gz CDIINEQDDWYGFF-UHFFFAOYSA-N 2 1 275.223 3.425 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cccc(C(C)(C)C)c1 ZINC000442768976 373074492 /nfs/dbraw/zinc/07/44/92/373074492.db2.gz PKBOQYXPWCWZRL-GJZGRUSLSA-N 2 1 290.451 3.032 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442889763 373121236 /nfs/dbraw/zinc/12/12/36/373121236.db2.gz LMHGUMJKWDHALX-SJORKVTESA-N 2 1 297.531 3.063 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000173318073 373124718 /nfs/dbraw/zinc/12/47/18/373124718.db2.gz CCOIOJAICIKKSW-AWEZNQCLSA-N 2 1 296.480 3.027 20 0 CGADMP C[N@H+](CC1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173396731 373134811 /nfs/dbraw/zinc/13/48/11/373134811.db2.gz VQYNFUMERJESIC-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP C[N@@H+](CC1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173396731 373134816 /nfs/dbraw/zinc/13/48/16/373134816.db2.gz VQYNFUMERJESIC-UHFFFAOYSA-N 2 1 272.436 3.383 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000173388983 373136093 /nfs/dbraw/zinc/13/60/93/373136093.db2.gz UAOXXKQRVXXCQU-HOTGVXAUSA-N 2 1 260.425 3.458 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000353576705 220167772 /nfs/dbraw/zinc/16/77/72/220167772.db2.gz ODGNTGJYUSLLJH-WLYUNCDWSA-N 2 1 278.415 3.390 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000353576705 220167777 /nfs/dbraw/zinc/16/77/77/220167777.db2.gz ODGNTGJYUSLLJH-WLYUNCDWSA-N 2 1 278.415 3.390 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC(C)C)cc2)C1 ZINC000173913300 373215354 /nfs/dbraw/zinc/21/53/54/373215354.db2.gz NWQLGPPESDQQQP-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(C)C)cc2)C1 ZINC000173913300 373215357 /nfs/dbraw/zinc/21/53/57/373215357.db2.gz NWQLGPPESDQQQP-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(C)C)cc2)C1 ZINC000173913300 373215359 /nfs/dbraw/zinc/21/53/59/373215359.db2.gz NWQLGPPESDQQQP-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000173913300 373215362 /nfs/dbraw/zinc/21/53/62/373215362.db2.gz NWQLGPPESDQQQP-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000173913300 373215365 /nfs/dbraw/zinc/21/53/65/373215365.db2.gz NWQLGPPESDQQQP-KRWDZBQOSA-N 2 1 290.451 3.247 20 0 CGADMP COc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2c1 ZINC000174515235 373331133 /nfs/dbraw/zinc/33/11/33/373331133.db2.gz ZTTLCTXGUUDIQL-KSSFIOAISA-N 2 1 298.430 3.421 20 0 CGADMP Cc1cccc(N2CCC([NH2+]C3CC4(CCC4)C3)CC2)[nH+]1 ZINC000448058983 373543069 /nfs/dbraw/zinc/54/30/69/373543069.db2.gz VIYLDFOFIQXHBT-UHFFFAOYSA-N 2 1 285.435 3.281 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000448059236 373546328 /nfs/dbraw/zinc/54/63/28/373546328.db2.gz AKLJIZNXNDPXKF-AWEZNQCLSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000300417261 373632505 /nfs/dbraw/zinc/63/25/05/373632505.db2.gz OBQQMWAJOXYYNZ-JKSUJKDBSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000300417261 373632512 /nfs/dbraw/zinc/63/25/12/373632512.db2.gz OBQQMWAJOXYYNZ-JKSUJKDBSA-N 2 1 278.827 3.365 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000300582458 373635619 /nfs/dbraw/zinc/63/56/19/373635619.db2.gz VTKFBARNKSRBGD-FVPDABNVSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449081730 373662012 /nfs/dbraw/zinc/66/20/12/373662012.db2.gz HMCDQAIBGKMJTH-SJORKVTESA-N 2 1 294.483 3.332 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000177978384 373731910 /nfs/dbraw/zinc/73/19/10/373731910.db2.gz RUOKJJINIRUYSB-IRXDYDNUSA-N 2 1 284.488 3.148 20 0 CGADMP CCc1cc(NC[C@H](c2ccccc2)[NH+](C)C)nc(C)[nH+]1 ZINC000301372429 373764196 /nfs/dbraw/zinc/76/41/96/373764196.db2.gz VVFDTLOISFLDSW-MRXNPFEDSA-N 2 1 284.407 3.062 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000178631309 373799338 /nfs/dbraw/zinc/79/93/38/373799338.db2.gz LOQOMELBYPRJPX-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP Cc1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000302279934 373848389 /nfs/dbraw/zinc/84/83/89/373848389.db2.gz IWCDDVMTPAKNTL-ZDUSSCGKSA-N 2 1 287.432 3.310 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC000180041776 373957063 /nfs/dbraw/zinc/95/70/63/373957063.db2.gz VOIZTZPAXCCXRW-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000180041776 373957067 /nfs/dbraw/zinc/95/70/67/373957067.db2.gz VOIZTZPAXCCXRW-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000180041776 373957074 /nfs/dbraw/zinc/95/70/74/373957074.db2.gz VOIZTZPAXCCXRW-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000179837890 373924688 /nfs/dbraw/zinc/92/46/88/373924688.db2.gz PEVRCCXBAFSDJY-UHFFFAOYSA-N 2 1 271.408 3.130 20 0 CGADMP C1=C(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCC1 ZINC000450429459 374123897 /nfs/dbraw/zinc/12/38/97/374123897.db2.gz ZUXDQDFKPLWPBL-QGZVFWFLSA-N 2 1 262.441 3.437 20 0 CGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000181481193 374131696 /nfs/dbraw/zinc/13/16/96/374131696.db2.gz OHIBRBQBNILAHF-USXIJHARSA-N 2 1 294.483 3.044 20 0 CGADMP CC[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309745774 374194309 /nfs/dbraw/zinc/19/43/09/374194309.db2.gz UENWQAJSPQVDBV-RDJZCZTQSA-N 2 1 260.425 3.287 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000311135991 374233212 /nfs/dbraw/zinc/23/32/12/374233212.db2.gz FAADBQCLLCSKCV-IJEWVQPXSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714220 374191982 /nfs/dbraw/zinc/19/19/82/374191982.db2.gz KGLSTSSDSDLFQN-KRWDZBQOSA-N 2 1 284.403 3.200 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309714220 374191990 /nfs/dbraw/zinc/19/19/90/374191990.db2.gz KGLSTSSDSDLFQN-KRWDZBQOSA-N 2 1 284.403 3.200 20 0 CGADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314922752 374322782 /nfs/dbraw/zinc/32/27/82/374322782.db2.gz PQCAFFBYPIYOLG-CVEARBPZSA-N 2 1 263.429 3.157 20 0 CGADMP CC(C)(C)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000079342853 541921236 /nfs/dbraw/zinc/92/12/36/541921236.db2.gz QODDSIZZJWZRGH-HNNXBMFYSA-N 2 1 252.446 3.134 20 0 CGADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000453330409 374424540 /nfs/dbraw/zinc/42/45/40/374424540.db2.gz YTWVBYAKGLXGDJ-ZNMIVQPWSA-N 2 1 264.438 3.019 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453349661 374441129 /nfs/dbraw/zinc/44/11/29/374441129.db2.gz LUQJXZNUHLFYPL-IXIBIKRGSA-N 2 1 252.446 3.416 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000090403581 541958822 /nfs/dbraw/zinc/95/88/22/541958822.db2.gz FBLGQGNWCSDQGD-STQMWFEESA-N 2 1 281.469 3.224 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)s1 ZINC000090402087 541959294 /nfs/dbraw/zinc/95/92/94/541959294.db2.gz RFFRNUOFMLVTLX-GFCCVEGCSA-N 2 1 281.469 3.223 20 0 CGADMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091796087 541969980 /nfs/dbraw/zinc/96/99/80/541969980.db2.gz IBLQEXMRSHNDLA-OAHLLOKOSA-N 2 1 278.440 3.105 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660106 541968448 /nfs/dbraw/zinc/96/84/48/541968448.db2.gz USCUIMAFKIARKM-DOTOQJQBSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660106 541968453 /nfs/dbraw/zinc/96/84/53/541968453.db2.gz USCUIMAFKIARKM-DOTOQJQBSA-N 2 1 287.451 3.313 20 0 CGADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccnc1 ZINC000185544817 374685122 /nfs/dbraw/zinc/68/51/22/374685122.db2.gz DLBJLONZWTWVCB-KRWDZBQOSA-N 2 1 286.423 3.498 20 0 CGADMP CC(C)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706314 374719095 /nfs/dbraw/zinc/71/90/95/374719095.db2.gz PREFDRQUSZLXGY-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000186981293 374949842 /nfs/dbraw/zinc/94/98/42/374949842.db2.gz PQDVFUQVKHJIPK-QGZVFWFLSA-N 2 1 260.425 3.023 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000187226638 374988845 /nfs/dbraw/zinc/98/88/45/374988845.db2.gz KNFLQBLJBTZCFF-KRWDZBQOSA-N 2 1 260.425 3.071 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(C)(C)C)cn1 ZINC000187692226 375074145 /nfs/dbraw/zinc/07/41/45/375074145.db2.gz YDGPRELKPLLLHK-UHFFFAOYSA-N 2 1 272.396 3.102 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000475362191 375134042 /nfs/dbraw/zinc/13/40/42/375134042.db2.gz UGFYRAUDNSBIKI-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483140300 375176289 /nfs/dbraw/zinc/17/62/89/375176289.db2.gz PVTRIOPPNOCKPS-KLHDSHLOSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc2cccnc12 ZINC000335149094 375176909 /nfs/dbraw/zinc/17/69/09/375176909.db2.gz BIYFWKPSKKRDSN-QAPCUYQASA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc2cccnc12 ZINC000335149094 375176912 /nfs/dbraw/zinc/17/69/12/375176912.db2.gz BIYFWKPSKKRDSN-QAPCUYQASA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc2cccnc12 ZINC000335149094 375176919 /nfs/dbraw/zinc/17/69/19/375176919.db2.gz BIYFWKPSKKRDSN-QAPCUYQASA-N 2 1 297.446 3.315 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc2cccnc12 ZINC000335149094 375176924 /nfs/dbraw/zinc/17/69/24/375176924.db2.gz BIYFWKPSKKRDSN-QAPCUYQASA-N 2 1 297.446 3.315 20 0 CGADMP C[C@H]([NH2+]C/C=C\c1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000487557041 375253499 /nfs/dbraw/zinc/25/34/99/375253499.db2.gz WBQGBUSHWJBKQB-ODMBXXLQSA-N 2 1 299.462 3.337 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC000189067957 375318518 /nfs/dbraw/zinc/31/85/18/375318518.db2.gz RMSJSBAOICTZDJ-INIZCTEOSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2CC)C1 ZINC000189067957 375318522 /nfs/dbraw/zinc/31/85/22/375318522.db2.gz RMSJSBAOICTZDJ-INIZCTEOSA-N 2 1 274.452 3.413 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2CC)C1 ZINC000189067957 375318528 /nfs/dbraw/zinc/31/85/28/375318528.db2.gz RMSJSBAOICTZDJ-INIZCTEOSA-N 2 1 274.452 3.413 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000189246754 375348941 /nfs/dbraw/zinc/34/89/41/375348941.db2.gz GCOBOAIDOQJYEL-AITUJVMLSA-N 2 1 286.463 3.470 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC[N@H+]1C ZINC000189246754 375348951 /nfs/dbraw/zinc/34/89/51/375348951.db2.gz GCOBOAIDOQJYEL-AITUJVMLSA-N 2 1 286.463 3.470 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000335817401 375455346 /nfs/dbraw/zinc/45/53/46/375455346.db2.gz DANQURDRHOATPN-CABCVRRESA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000335817401 375455351 /nfs/dbraw/zinc/45/53/51/375455351.db2.gz DANQURDRHOATPN-CABCVRRESA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000335817401 375455354 /nfs/dbraw/zinc/45/53/54/375455354.db2.gz DANQURDRHOATPN-CABCVRRESA-N 2 1 291.439 3.023 20 0 CGADMP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000335817401 375455360 /nfs/dbraw/zinc/45/53/60/375455360.db2.gz DANQURDRHOATPN-CABCVRRESA-N 2 1 291.439 3.023 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335991549 375598340 /nfs/dbraw/zinc/59/83/40/375598340.db2.gz GIUOEJGEOODIFQ-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335991549 375598346 /nfs/dbraw/zinc/59/83/46/375598346.db2.gz GIUOEJGEOODIFQ-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335991549 375598350 /nfs/dbraw/zinc/59/83/50/375598350.db2.gz GIUOEJGEOODIFQ-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335991549 375598354 /nfs/dbraw/zinc/59/83/54/375598354.db2.gz GIUOEJGEOODIFQ-YJBOKZPZSA-N 2 1 297.446 3.458 20 0 CGADMP CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000123884801 542030555 /nfs/dbraw/zinc/03/05/55/542030555.db2.gz PMGNCQKAWCWPGP-UHFFFAOYSA-N 2 1 272.436 3.487 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192720696 375782615 /nfs/dbraw/zinc/78/26/15/375782615.db2.gz NWVCKQVOJBVKJY-MAUKXSAKSA-N 2 1 287.451 3.255 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000192928104 375804781 /nfs/dbraw/zinc/80/47/81/375804781.db2.gz JDNICMWGVAXBIM-NVXWUHKLSA-N 2 1 272.436 3.287 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000514824919 375807364 /nfs/dbraw/zinc/80/73/64/375807364.db2.gz FQPNJUBWKKUZPY-AWEZNQCLSA-N 2 1 282.815 3.143 20 0 CGADMP FC(F)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336406189 375791366 /nfs/dbraw/zinc/79/13/66/375791366.db2.gz FDIBUJVCQIQLMP-CLRIEMFWSA-N 2 1 272.383 3.027 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccs1 ZINC000336698847 375910451 /nfs/dbraw/zinc/91/04/51/375910451.db2.gz GGAVHCMSDZSMAP-UHFFFAOYSA-N 2 1 263.410 3.165 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cccs1 ZINC000336698847 375910458 /nfs/dbraw/zinc/91/04/58/375910458.db2.gz GGAVHCMSDZSMAP-UHFFFAOYSA-N 2 1 263.410 3.165 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000336656015 375896706 /nfs/dbraw/zinc/89/67/06/375896706.db2.gz JVRBZLPZLVGJDU-INMHGKMJSA-N 2 1 260.425 3.143 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C)cc1 ZINC000534317127 375971064 /nfs/dbraw/zinc/97/10/64/375971064.db2.gz PEROTQCSRJOJLN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C)cc1 ZINC000534317127 375971071 /nfs/dbraw/zinc/97/10/71/375971071.db2.gz PEROTQCSRJOJLN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C)cc1 ZINC000534317127 375971075 /nfs/dbraw/zinc/97/10/75/375971075.db2.gz PEROTQCSRJOJLN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccs1 ZINC000336710033 375913623 /nfs/dbraw/zinc/91/36/23/375913623.db2.gz MMPLWSIWMWRWML-CQSZACIVSA-N 2 1 266.454 3.443 20 0 CGADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000336710033 375913637 /nfs/dbraw/zinc/91/36/37/375913637.db2.gz MMPLWSIWMWRWML-CQSZACIVSA-N 2 1 266.454 3.443 20 0 CGADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000336710033 375913642 /nfs/dbraw/zinc/91/36/42/375913642.db2.gz MMPLWSIWMWRWML-CQSZACIVSA-N 2 1 266.454 3.443 20 0 CGADMP C[C@H](CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000193722954 375915459 /nfs/dbraw/zinc/91/54/59/375915459.db2.gz XWHDJBAQNLSFAK-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@H](CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000193722954 375915465 /nfs/dbraw/zinc/91/54/65/375915465.db2.gz XWHDJBAQNLSFAK-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@H](CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000193722954 375915472 /nfs/dbraw/zinc/91/54/72/375915472.db2.gz XWHDJBAQNLSFAK-IAGOWNOFSA-N 2 1 274.452 3.454 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000195138442 376083152 /nfs/dbraw/zinc/08/31/52/376083152.db2.gz HKMVPPVYJRSNBT-FUHWJXTLSA-N 2 1 295.430 3.254 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCC2)[C@H](C)C1 ZINC000536851863 376137477 /nfs/dbraw/zinc/13/74/77/376137477.db2.gz LAEVIALYMHWXGU-IAGOWNOFSA-N 2 1 296.499 3.293 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C)C1CCOCC1 ZINC000537951890 376212047 /nfs/dbraw/zinc/21/20/47/376212047.db2.gz IDPCCGHXRQNTDH-ROUUACIJSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C)C1CCOCC1 ZINC000537951890 376212050 /nfs/dbraw/zinc/21/20/50/376212050.db2.gz IDPCCGHXRQNTDH-ROUUACIJSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221275922 376214476 /nfs/dbraw/zinc/21/44/76/376214476.db2.gz CYNLIKOOZBVVOI-SWLSCSKDSA-N 2 1 266.816 3.332 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221275922 376214482 /nfs/dbraw/zinc/21/44/82/376214482.db2.gz CYNLIKOOZBVVOI-SWLSCSKDSA-N 2 1 266.816 3.332 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC34CCC4)CC2)[nH+]1 ZINC000337393992 376219275 /nfs/dbraw/zinc/21/92/75/376219275.db2.gz MLOVKUQQOQREAR-MRXNPFEDSA-N 2 1 285.435 3.281 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337529381 376227080 /nfs/dbraw/zinc/22/70/80/376227080.db2.gz UCSHQDVRZVYJAM-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP CC1(C)C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000222049619 376227202 /nfs/dbraw/zinc/22/72/02/376227202.db2.gz ZCTAAUDCFSTANL-QGZVFWFLSA-N 2 1 286.463 3.329 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000538737613 376264758 /nfs/dbraw/zinc/26/47/58/376264758.db2.gz PRJJPVGKNJZHAD-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000538737613 376264763 /nfs/dbraw/zinc/26/47/63/376264763.db2.gz PRJJPVGKNJZHAD-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000538737613 376264770 /nfs/dbraw/zinc/26/47/70/376264770.db2.gz PRJJPVGKNJZHAD-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000538737613 376264773 /nfs/dbraw/zinc/26/47/73/376264773.db2.gz PRJJPVGKNJZHAD-WBVHZDCISA-N 2 1 290.451 3.390 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000538750745 376267779 /nfs/dbraw/zinc/26/77/79/376267779.db2.gz WGWXTOVYBQHYQS-UHOSZYNNSA-N 2 1 286.463 3.454 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326440 376351286 /nfs/dbraw/zinc/35/12/86/376351286.db2.gz CDFZBTFQTSFGMB-RYUDHWBXSA-N 2 1 268.351 3.087 20 0 CGADMP CCCOc1cccc(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000225617762 376318405 /nfs/dbraw/zinc/31/84/05/376318405.db2.gz PNAURNNAZRUNQY-UHFFFAOYSA-N 2 1 278.440 3.295 20 0 CGADMP CCCOc1cccc(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000225617762 376318413 /nfs/dbraw/zinc/31/84/13/376318413.db2.gz PNAURNNAZRUNQY-UHFFFAOYSA-N 2 1 278.440 3.295 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000539896293 376345132 /nfs/dbraw/zinc/34/51/32/376345132.db2.gz KVPSQOWHKAKIMK-XJKSGUPXSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000539896293 376345136 /nfs/dbraw/zinc/34/51/36/376345136.db2.gz KVPSQOWHKAKIMK-XJKSGUPXSA-N 2 1 278.465 3.227 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000539896293 376345140 /nfs/dbraw/zinc/34/51/40/376345140.db2.gz KVPSQOWHKAKIMK-XJKSGUPXSA-N 2 1 278.465 3.227 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000226313090 376350150 /nfs/dbraw/zinc/35/01/50/376350150.db2.gz CSXFXQRBPKDPQZ-CQSZACIVSA-N 2 1 264.413 3.076 20 0 CGADMP COc1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000226313090 376350156 /nfs/dbraw/zinc/35/01/56/376350156.db2.gz CSXFXQRBPKDPQZ-CQSZACIVSA-N 2 1 264.413 3.076 20 0 CGADMP CCCC[C@@H](CC)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539073692 376291154 /nfs/dbraw/zinc/29/11/54/376291154.db2.gz WYRIRVBWOWVFCW-IXDOHACOSA-N 2 1 284.488 3.434 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000539294674 376301995 /nfs/dbraw/zinc/30/19/95/376301995.db2.gz LXTBSZYEJFBBBL-ATZDWAIDSA-N 2 1 286.463 3.210 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000227610796 376400500 /nfs/dbraw/zinc/40/05/00/376400500.db2.gz DYBMAJSVAZGVOC-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227610796 376400504 /nfs/dbraw/zinc/40/05/04/376400504.db2.gz DYBMAJSVAZGVOC-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227610796 376400510 /nfs/dbraw/zinc/40/05/10/376400510.db2.gz DYBMAJSVAZGVOC-MSOLQXFVSA-N 2 1 270.420 3.280 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000226448017 376359896 /nfs/dbraw/zinc/35/98/96/376359896.db2.gz FWSUDDSJHPSPRR-CQSZACIVSA-N 2 1 268.351 3.198 20 0 CGADMP CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604433 376366419 /nfs/dbraw/zinc/36/64/19/376366419.db2.gz IYHISARURGGOSY-ZENOOKHLSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1F ZINC000226604433 376366422 /nfs/dbraw/zinc/36/64/22/376366422.db2.gz IYHISARURGGOSY-ZENOOKHLSA-N 2 1 264.388 3.349 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccoc1 ZINC000227297810 376388564 /nfs/dbraw/zinc/38/85/64/376388564.db2.gz SEXHFNKKNPTNES-UONOGXRCSA-N 2 1 250.386 3.195 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccoc1 ZINC000227297810 376388568 /nfs/dbraw/zinc/38/85/68/376388568.db2.gz SEXHFNKKNPTNES-UONOGXRCSA-N 2 1 250.386 3.195 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)C[C@H]21 ZINC000228536660 376440042 /nfs/dbraw/zinc/44/00/42/376440042.db2.gz UVDGKGYPHOEWJS-RCCFBDPRSA-N 2 1 270.420 3.123 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]21 ZINC000230046306 376482122 /nfs/dbraw/zinc/48/21/22/376482122.db2.gz OZNHYWCKTFIVNW-YTQUADARSA-N 2 1 280.415 3.399 20 0 CGADMP CCC(CC)(CC)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000542151196 376511813 /nfs/dbraw/zinc/51/18/13/376511813.db2.gz DGVDTNWKNNGSHK-GVDBMIGSSA-N 2 1 296.499 3.386 20 0 CGADMP CCC(CC)(CC)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000542151199 376512735 /nfs/dbraw/zinc/51/27/35/376512735.db2.gz DGVDTNWKNNGSHK-IXDOHACOSA-N 2 1 296.499 3.386 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)C[C@@H]21 ZINC000230126447 376486338 /nfs/dbraw/zinc/48/63/38/376486338.db2.gz UVDGKGYPHOEWJS-FGTMMUONSA-N 2 1 270.420 3.123 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4(C5CC5)CC4)[C@@H]3C2)cc1 ZINC000541882382 376491464 /nfs/dbraw/zinc/49/14/64/376491464.db2.gz JGZBCPKWBZPMOX-UHOSZYNNSA-N 2 1 296.458 3.429 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000542517490 376551772 /nfs/dbraw/zinc/55/17/72/376551772.db2.gz CTVBXCMPPCYASG-HZPDHXFCSA-N 2 1 262.441 3.185 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000542517490 376551777 /nfs/dbraw/zinc/55/17/77/376551777.db2.gz CTVBXCMPPCYASG-HZPDHXFCSA-N 2 1 262.441 3.185 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000542517487 376552312 /nfs/dbraw/zinc/55/23/12/376552312.db2.gz CTVBXCMPPCYASG-CVEARBPZSA-N 2 1 262.441 3.185 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000542517487 376552316 /nfs/dbraw/zinc/55/23/16/376552316.db2.gz CTVBXCMPPCYASG-CVEARBPZSA-N 2 1 262.441 3.185 20 0 CGADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000542464780 376544569 /nfs/dbraw/zinc/54/45/69/376544569.db2.gz JPMDGHXJNLFIAL-DOTOQJQBSA-N 2 1 266.473 3.476 20 0 CGADMP CCc1cnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000542464821 376545125 /nfs/dbraw/zinc/54/51/25/376545125.db2.gz LOWUWWARFAMVTM-UHFFFAOYSA-N 2 1 295.496 3.258 20 0 CGADMP CCc1cnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000542464821 376545130 /nfs/dbraw/zinc/54/51/30/376545130.db2.gz LOWUWWARFAMVTM-UHFFFAOYSA-N 2 1 295.496 3.258 20 0 CGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCCCC1 ZINC000542475743 376546806 /nfs/dbraw/zinc/54/68/06/376546806.db2.gz GTYIVCCOFHAICM-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000543091496 376605705 /nfs/dbraw/zinc/60/57/05/376605705.db2.gz LXOZJDRPCQBSBB-RDJZCZTQSA-N 2 1 292.492 3.487 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000542840152 376586387 /nfs/dbraw/zinc/58/63/87/376586387.db2.gz ANZHQEGKWORSNY-CABCVRRESA-N 2 1 252.446 3.086 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC000543705244 376669422 /nfs/dbraw/zinc/66/94/22/376669422.db2.gz QRDONWNKUDGEQA-ARFHVFGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC000543705244 376669431 /nfs/dbraw/zinc/66/94/31/376669431.db2.gz QRDONWNKUDGEQA-ARFHVFGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC000543705244 376669437 /nfs/dbraw/zinc/66/94/37/376669437.db2.gz QRDONWNKUDGEQA-ARFHVFGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC000543705244 376669447 /nfs/dbraw/zinc/66/94/47/376669447.db2.gz QRDONWNKUDGEQA-ARFHVFGLSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1ccc(SCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339065964 376658597 /nfs/dbraw/zinc/65/85/97/376658597.db2.gz CMWXZTLIFCOQNA-JKSUJKDBSA-N 2 1 290.476 3.304 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccccc2)[C@@H](C)C1 ZINC000245443823 376819233 /nfs/dbraw/zinc/81/92/33/376819233.db2.gz XLHUXSVSEVGGCX-FUHWJXTLSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccccc2)[C@@H](C)C1 ZINC000245443823 376819238 /nfs/dbraw/zinc/81/92/38/376819238.db2.gz XLHUXSVSEVGGCX-FUHWJXTLSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2ccccc2)[C@@H](C)C1 ZINC000245443823 376819242 /nfs/dbraw/zinc/81/92/42/376819242.db2.gz XLHUXSVSEVGGCX-FUHWJXTLSA-N 2 1 290.451 3.118 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000245683341 376879445 /nfs/dbraw/zinc/87/94/45/376879445.db2.gz ACNDLMLRYPFORU-HZPDHXFCSA-N 2 1 289.467 3.135 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)s2)[C@@H](C)C1 ZINC000245803044 376913246 /nfs/dbraw/zinc/91/32/46/376913246.db2.gz YAOXWXFNHCXUJL-SWLSCSKDSA-N 2 1 266.454 3.219 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246149634 376976384 /nfs/dbraw/zinc/97/63/84/376976384.db2.gz BXMLNUZVBMDAPT-SQWLQELKSA-N 2 1 296.480 3.146 20 0 CGADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246149634 376976390 /nfs/dbraw/zinc/97/63/90/376976390.db2.gz BXMLNUZVBMDAPT-SQWLQELKSA-N 2 1 296.480 3.146 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H](C)C2 ZINC000245902910 376929289 /nfs/dbraw/zinc/92/92/89/376929289.db2.gz DWUMUPNAMPVZPM-IIDMSEBBSA-N 2 1 272.436 3.160 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)[C@@H](C)C2 ZINC000246034292 376956151 /nfs/dbraw/zinc/95/61/51/376956151.db2.gz WIORRIUXJWBBHJ-QMTMVMCOSA-N 2 1 284.447 3.302 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000557794962 376956784 /nfs/dbraw/zinc/95/67/84/376956784.db2.gz FSIJRYVXJLTYJO-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246071013 376960608 /nfs/dbraw/zinc/96/06/08/376960608.db2.gz ZYHBHUPAGYIHPP-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246071013 376960618 /nfs/dbraw/zinc/96/06/18/376960618.db2.gz ZYHBHUPAGYIHPP-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246071013 376960627 /nfs/dbraw/zinc/96/06/27/376960627.db2.gz ZYHBHUPAGYIHPP-WMLDXEAASA-N 2 1 276.399 3.050 20 0 CGADMP CC(C)CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246361730 377015812 /nfs/dbraw/zinc/01/58/12/377015812.db2.gz IOCYKHYDBWBUCA-SOUVJXGZSA-N 2 1 254.462 3.377 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000246385212 377019142 /nfs/dbraw/zinc/01/91/42/377019142.db2.gz KJQQMBACPMJROY-HZPDHXFCSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000246385212 377019147 /nfs/dbraw/zinc/01/91/47/377019147.db2.gz KJQQMBACPMJROY-HZPDHXFCSA-N 2 1 275.440 3.100 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246406987 377023988 /nfs/dbraw/zinc/02/39/88/377023988.db2.gz AWHXLLDYEJNJDU-DOTOQJQBSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246406987 377023997 /nfs/dbraw/zinc/02/39/97/377023997.db2.gz AWHXLLDYEJNJDU-DOTOQJQBSA-N 2 1 260.425 3.157 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246406987 377024004 /nfs/dbraw/zinc/02/40/04/377024004.db2.gz AWHXLLDYEJNJDU-DOTOQJQBSA-N 2 1 260.425 3.157 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246434349 377029921 /nfs/dbraw/zinc/02/99/21/377029921.db2.gz CYFGIZQIYNEKKH-CVEARBPZSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246434349 377029929 /nfs/dbraw/zinc/02/99/29/377029929.db2.gz CYFGIZQIYNEKKH-CVEARBPZSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246434349 377029933 /nfs/dbraw/zinc/02/99/33/377029933.db2.gz CYFGIZQIYNEKKH-CVEARBPZSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000246434349 377029941 /nfs/dbraw/zinc/02/99/41/377029941.db2.gz CYFGIZQIYNEKKH-CVEARBPZSA-N 2 1 290.451 3.420 20 0 CGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000246478318 377036793 /nfs/dbraw/zinc/03/67/93/377036793.db2.gz WODFVNPSQNEGMY-NUEKZKHPSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246500379 377043195 /nfs/dbraw/zinc/04/31/95/377043195.db2.gz HPVZKYMPUSMTIM-RKVPGOIHSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246500379 377043204 /nfs/dbraw/zinc/04/32/04/377043204.db2.gz HPVZKYMPUSMTIM-RKVPGOIHSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246500379 377043211 /nfs/dbraw/zinc/04/32/11/377043211.db2.gz HPVZKYMPUSMTIM-RKVPGOIHSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246500379 377043219 /nfs/dbraw/zinc/04/32/19/377043219.db2.gz HPVZKYMPUSMTIM-RKVPGOIHSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246500379 377043223 /nfs/dbraw/zinc/04/32/23/377043223.db2.gz HPVZKYMPUSMTIM-RKVPGOIHSA-N 2 1 285.435 3.091 20 0 CGADMP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246500379 377043230 /nfs/dbraw/zinc/04/32/30/377043230.db2.gz HPVZKYMPUSMTIM-RKVPGOIHSA-N 2 1 285.435 3.091 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)cccc2C)[C@@H](C)C1 ZINC000246324332 377011390 /nfs/dbraw/zinc/01/13/90/377011390.db2.gz FPBPBEPRMLSCFF-FUHWJXTLSA-N 2 1 274.452 3.166 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246604204 377059834 /nfs/dbraw/zinc/05/98/34/377059834.db2.gz GJJUNWGWVDVILD-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246604204 377059841 /nfs/dbraw/zinc/05/98/41/377059841.db2.gz GJJUNWGWVDVILD-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246604204 377059848 /nfs/dbraw/zinc/05/98/48/377059848.db2.gz GJJUNWGWVDVILD-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246604204 377059860 /nfs/dbraw/zinc/05/98/60/377059860.db2.gz GJJUNWGWVDVILD-RDJZCZTQSA-N 2 1 260.425 3.218 20 0 CGADMP CC(C)CSCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246618727 377063668 /nfs/dbraw/zinc/06/36/68/377063668.db2.gz IHHDKQOPZZLPEN-JKSUJKDBSA-N 2 1 284.513 3.182 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246618727 377063675 /nfs/dbraw/zinc/06/36/75/377063675.db2.gz IHHDKQOPZZLPEN-JKSUJKDBSA-N 2 1 284.513 3.182 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246618727 377063682 /nfs/dbraw/zinc/06/36/82/377063682.db2.gz IHHDKQOPZZLPEN-JKSUJKDBSA-N 2 1 284.513 3.182 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@@H](C)C1 ZINC000340447985 377064583 /nfs/dbraw/zinc/06/45/83/377064583.db2.gz IKMNBKRYGJBFQA-BBRMVZONSA-N 2 1 272.392 3.253 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@@H](C)C1 ZINC000340447985 377064586 /nfs/dbraw/zinc/06/45/86/377064586.db2.gz IKMNBKRYGJBFQA-BBRMVZONSA-N 2 1 272.392 3.253 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000246939027 377123867 /nfs/dbraw/zinc/12/38/67/377123867.db2.gz HMVPRTFFKNHCSU-QLFBSQMISA-N 2 1 293.430 3.239 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000246939027 377123879 /nfs/dbraw/zinc/12/38/79/377123879.db2.gz HMVPRTFFKNHCSU-QLFBSQMISA-N 2 1 293.430 3.239 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000559283810 377078923 /nfs/dbraw/zinc/07/89/23/377078923.db2.gz XPLWGPKIWJUWBA-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000559283810 377078933 /nfs/dbraw/zinc/07/89/33/377078933.db2.gz XPLWGPKIWJUWBA-QGZVFWFLSA-N 2 1 290.451 3.392 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)no1 ZINC000340473861 377084939 /nfs/dbraw/zinc/08/49/39/377084939.db2.gz RATOYDSFPMVGAW-HIFRSBDPSA-N 2 1 279.428 3.146 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000246809649 377094878 /nfs/dbraw/zinc/09/48/78/377094878.db2.gz ANQGQAWHAVVLPK-ARFHVFGLSA-N 2 1 290.451 3.119 20 0 CGADMP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246832165 377100032 /nfs/dbraw/zinc/10/00/32/377100032.db2.gz ALRVOTALOGHCAC-RDJZCZTQSA-N 2 1 274.452 3.345 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000247298120 377190545 /nfs/dbraw/zinc/19/05/45/377190545.db2.gz OPJOSYGZTYTNLC-FXUDXRNXSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000247298120 377190553 /nfs/dbraw/zinc/19/05/53/377190553.db2.gz OPJOSYGZTYTNLC-FXUDXRNXSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000247298120 377190555 /nfs/dbraw/zinc/19/05/55/377190555.db2.gz OPJOSYGZTYTNLC-FXUDXRNXSA-N 2 1 250.430 3.124 20 0 CGADMP COC(C)(C)[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340536833 377131977 /nfs/dbraw/zinc/13/19/77/377131977.db2.gz SSVAKVNNWWNNIJ-HOTGVXAUSA-N 2 1 292.467 3.300 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC000247022005 377141614 /nfs/dbraw/zinc/14/16/14/377141614.db2.gz LUJYQVYJJYLQFG-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC000247022005 377141630 /nfs/dbraw/zinc/14/16/30/377141630.db2.gz LUJYQVYJJYLQFG-CHWSQXEVSA-N 2 1 282.378 3.347 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000247048874 377148106 /nfs/dbraw/zinc/14/81/06/377148106.db2.gz NCDBLVJTBYRVTA-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2c3ccccc3C[C@@H]2C)C1 ZINC000247120726 377161424 /nfs/dbraw/zinc/16/14/24/377161424.db2.gz RDCSXWXZYVBURK-HDMKZQKVSA-N 2 1 272.436 3.241 20 0 CGADMP CSCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247525499 377220719 /nfs/dbraw/zinc/22/07/19/377220719.db2.gz NTGPHWRKJCNUPR-CVEARBPZSA-N 2 1 284.513 3.326 20 0 CGADMP CSCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247525499 377220729 /nfs/dbraw/zinc/22/07/29/377220729.db2.gz NTGPHWRKJCNUPR-CVEARBPZSA-N 2 1 284.513 3.326 20 0 CGADMP CSCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247525499 377220736 /nfs/dbraw/zinc/22/07/36/377220736.db2.gz NTGPHWRKJCNUPR-CVEARBPZSA-N 2 1 284.513 3.326 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000561704162 377240329 /nfs/dbraw/zinc/24/03/29/377240329.db2.gz VTJPPHITOPVZMG-HOCLYGCPSA-N 2 1 280.481 3.343 20 0 CGADMP CCc1ccccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000248132533 377269267 /nfs/dbraw/zinc/26/92/67/377269267.db2.gz OPNPNRWIHZMFBO-PBHICJAKSA-N 2 1 260.425 3.069 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCSc2ccccc2)[C@@H](C)C1 ZINC000248027816 377258713 /nfs/dbraw/zinc/25/87/13/377258713.db2.gz POOMDRSTNZMWJF-GOEBONIOSA-N 2 1 278.465 3.099 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1C1CCCC1 ZINC000248030805 377261606 /nfs/dbraw/zinc/26/16/06/377261606.db2.gz KIJSVCYLNVOETE-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000248030805 377261614 /nfs/dbraw/zinc/26/16/14/377261614.db2.gz KIJSVCYLNVOETE-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000248030805 377261620 /nfs/dbraw/zinc/26/16/20/377261620.db2.gz KIJSVCYLNVOETE-HOTGVXAUSA-N 2 1 250.430 3.125 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000562066325 377273751 /nfs/dbraw/zinc/27/37/51/377273751.db2.gz ULUIDXYOXCXJLQ-QRQLOZEOSA-N 2 1 284.447 3.287 20 0 CGADMP CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390145 377302497 /nfs/dbraw/zinc/30/24/97/377302497.db2.gz BGLAKMKTKNXVLR-ZNMIVQPWSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000563366560 377451170 /nfs/dbraw/zinc/45/11/70/377451170.db2.gz JCZPUUCRUZWCRY-KRWDZBQOSA-N 2 1 298.434 3.165 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000563366560 377451174 /nfs/dbraw/zinc/45/11/74/377451174.db2.gz JCZPUUCRUZWCRY-KRWDZBQOSA-N 2 1 298.434 3.165 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCOc2ccccc21)C1CC[NH2+]CC1 ZINC000162064160 542162567 /nfs/dbraw/zinc/16/25/67/542162567.db2.gz NANUYBWAJDOMKV-HNNXBMFYSA-N 2 1 288.435 3.017 20 0 CGADMP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000249191961 377476291 /nfs/dbraw/zinc/47/62/91/377476291.db2.gz AARNPZZWYSINSP-KBPBESRZSA-N 2 1 280.843 3.327 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc(Cl)c1 ZINC000249191961 377476300 /nfs/dbraw/zinc/47/63/00/377476300.db2.gz AARNPZZWYSINSP-KBPBESRZSA-N 2 1 280.843 3.327 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249337061 377492260 /nfs/dbraw/zinc/49/22/60/377492260.db2.gz ZMQBFFUCHIXEPG-POQQGIQPSA-N 2 1 292.389 3.426 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249401972 377498684 /nfs/dbraw/zinc/49/86/84/377498684.db2.gz VLVFLTVURPKEIW-JHJVBQTASA-N 2 1 280.378 3.427 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccs1 ZINC000037644218 249002826 /nfs/dbraw/zinc/00/28/26/249002826.db2.gz IZMPJXOOCRLFQB-CHWSQXEVSA-N 2 1 252.427 3.131 20 0 CGADMP CCc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166644501 542175694 /nfs/dbraw/zinc/17/56/94/542175694.db2.gz ZUOBAUDDJLZMNX-ZWKOTPCHSA-N 2 1 272.436 3.008 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000166831909 542174601 /nfs/dbraw/zinc/17/46/01/542174601.db2.gz UZAKKBRPOMXFBH-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166615991 542174644 /nfs/dbraw/zinc/17/46/44/542174644.db2.gz XZYVCEQPEBNPTI-LSDHHAIUSA-N 2 1 284.403 3.458 20 0 CGADMP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166615991 542174647 /nfs/dbraw/zinc/17/46/47/542174647.db2.gz XZYVCEQPEBNPTI-LSDHHAIUSA-N 2 1 284.403 3.458 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000166801224 542174661 /nfs/dbraw/zinc/17/46/61/542174661.db2.gz OAGRAOYZVWZXEO-KSZLIROESA-N 2 1 287.451 3.038 20 0 CGADMP CCO[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000166764453 542175052 /nfs/dbraw/zinc/17/50/52/542175052.db2.gz AZWYLKKABWWSLJ-RCCFBDPRSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422905842 249127284 /nfs/dbraw/zinc/12/72/84/249127284.db2.gz SXGMDDURWKEELK-IUCAKERBSA-N 2 1 283.828 3.165 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000339188366 249101641 /nfs/dbraw/zinc/10/16/41/249101641.db2.gz GGRXDDYEQMVCRX-HZPDHXFCSA-N 2 1 278.827 3.365 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000339188366 249101643 /nfs/dbraw/zinc/10/16/43/249101643.db2.gz GGRXDDYEQMVCRX-HZPDHXFCSA-N 2 1 278.827 3.365 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000469860620 249160599 /nfs/dbraw/zinc/16/05/99/249160599.db2.gz GGJQFHJHZWXEPC-HOCLYGCPSA-N 2 1 276.424 3.035 20 0 CGADMP c1ccc(CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000469880104 249161277 /nfs/dbraw/zinc/16/12/77/249161277.db2.gz PPASIFRWEZKJIH-SFHVURJKSA-N 2 1 286.463 3.473 20 0 CGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@@H]1CCC[NH2+]C1 ZINC000469875720 249161464 /nfs/dbraw/zinc/16/14/64/249161464.db2.gz YCUHZKBKLMCJEO-MRXNPFEDSA-N 2 1 282.431 3.314 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428045534 249131137 /nfs/dbraw/zinc/13/11/37/249131137.db2.gz QIHOLACNYMEFBI-UYAOXDASSA-N 2 1 294.442 3.456 20 0 CGADMP c1cc(-c2ncc(C[NH2+]CCC[NH+]3CCC3)s2)cs1 ZINC000573741785 377571695 /nfs/dbraw/zinc/57/16/95/377571695.db2.gz MWXBEEVOQAZQIL-UHFFFAOYSA-N 2 1 293.461 3.057 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251159517 377573711 /nfs/dbraw/zinc/57/37/11/377573711.db2.gz LREJPAPLFXKBRC-JYJNAYRXSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251159517 377573719 /nfs/dbraw/zinc/57/37/19/377573719.db2.gz LREJPAPLFXKBRC-JYJNAYRXSA-N 2 1 288.435 3.281 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251187907 377576401 /nfs/dbraw/zinc/57/64/01/377576401.db2.gz YHHWHCDHNCEDAZ-JONQDZQNSA-N 2 1 258.409 3.271 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1c(F)cccc1Cl ZINC000517371760 249263497 /nfs/dbraw/zinc/26/34/97/249263497.db2.gz FSKXBPJWUSZNLZ-NEPJUHHUSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000251555439 377588391 /nfs/dbraw/zinc/58/83/91/377588391.db2.gz ACHNCJUBTQSSJN-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]1C[N@H+](CCNc2nccc3ccc(C)cc32)CCO1 ZINC000573958365 377597458 /nfs/dbraw/zinc/59/74/58/377597458.db2.gz GMZMYDRJQBWKPF-INIZCTEOSA-N 2 1 299.418 3.066 20 0 CGADMP CC[C@H]1C[N@@H+](CCNc2nccc3ccc(C)cc32)CCO1 ZINC000573958365 377597471 /nfs/dbraw/zinc/59/74/71/377597471.db2.gz GMZMYDRJQBWKPF-INIZCTEOSA-N 2 1 299.418 3.066 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)c1ccccc1 ZINC000180054603 542206755 /nfs/dbraw/zinc/20/67/55/542206755.db2.gz KDXVXYTWZIKDAC-UHFFFAOYSA-N 2 1 274.452 3.238 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252108637 377615419 /nfs/dbraw/zinc/61/54/19/377615419.db2.gz JGFLXROMRLPWQV-SIIHOXLZSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252108637 377615425 /nfs/dbraw/zinc/61/54/25/377615425.db2.gz JGFLXROMRLPWQV-SIIHOXLZSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252711742 377655610 /nfs/dbraw/zinc/65/56/10/377655610.db2.gz KLUBPHPXUDDATI-XWIAVFTESA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252711742 377655618 /nfs/dbraw/zinc/65/56/18/377655618.db2.gz KLUBPHPXUDDATI-XWIAVFTESA-N 2 1 288.435 3.002 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000574647739 377689110 /nfs/dbraw/zinc/68/91/10/377689110.db2.gz WNIQLNSBBCTJRA-OLZOCXBDSA-N 2 1 288.366 3.397 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000574647739 377689118 /nfs/dbraw/zinc/68/91/18/377689118.db2.gz WNIQLNSBBCTJRA-OLZOCXBDSA-N 2 1 288.366 3.397 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCC(C)(C)C ZINC000342590630 377678141 /nfs/dbraw/zinc/67/81/41/377678141.db2.gz HBLKLICSOROOFB-CYBMUJFWSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(C)CC2)cc1F ZINC000574976150 377731518 /nfs/dbraw/zinc/73/15/18/377731518.db2.gz PPHZJOJHKGAUMO-UHFFFAOYSA-N 2 1 273.355 3.210 20 0 CGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546326 377816578 /nfs/dbraw/zinc/81/65/78/377816578.db2.gz KUNIWWLPRZXIDT-HUUCEWRRSA-N 2 1 284.403 3.091 20 0 CGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261660386 377836592 /nfs/dbraw/zinc/83/65/92/377836592.db2.gz ZYHZLFPNTUMSDR-KGLIPLIRSA-N 2 1 272.392 3.425 20 0 CGADMP CC(C)c1ccc(CC[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000258815368 377800110 /nfs/dbraw/zinc/80/01/10/377800110.db2.gz CQTTWENMTOHUPT-UHFFFAOYSA-N 2 1 260.425 3.036 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261868803 377861841 /nfs/dbraw/zinc/86/18/41/377861841.db2.gz YQYQQPXZSTZJHP-DOTOQJQBSA-N 2 1 272.436 3.168 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000261879707 377863380 /nfs/dbraw/zinc/86/33/80/377863380.db2.gz UMFIOKYXCWEADP-SFHVURJKSA-N 2 1 288.435 3.179 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)on2)cc1 ZINC000262444794 377897965 /nfs/dbraw/zinc/89/79/65/377897965.db2.gz HDSMTEXNLUPLCV-GDBMZVCRSA-N 2 1 299.418 3.067 20 0 CGADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)on2)cc1 ZINC000262444794 377897967 /nfs/dbraw/zinc/89/79/67/377897967.db2.gz HDSMTEXNLUPLCV-GDBMZVCRSA-N 2 1 299.418 3.067 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261929390 377869858 /nfs/dbraw/zinc/86/98/58/377869858.db2.gz ZQIXCASGFJLIGC-LSDHHAIUSA-N 2 1 268.351 3.087 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261929390 377869862 /nfs/dbraw/zinc/86/98/62/377869862.db2.gz ZQIXCASGFJLIGC-LSDHHAIUSA-N 2 1 268.351 3.087 20 0 CGADMP c1ccc2oc([C@@H]3CCCC[N@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000261991166 377876260 /nfs/dbraw/zinc/87/62/60/377876260.db2.gz SIBUQFBDEAULQT-ZBFHGGJFSA-N 2 1 299.418 3.354 20 0 CGADMP c1ccc2oc([C@@H]3CCCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000261991166 377876264 /nfs/dbraw/zinc/87/62/64/377876264.db2.gz SIBUQFBDEAULQT-ZBFHGGJFSA-N 2 1 299.418 3.354 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262002285 377878391 /nfs/dbraw/zinc/87/83/91/377878391.db2.gz UGAIBSOHVSDDFG-RHSMWYFYSA-N 2 1 288.435 3.035 20 0 CGADMP CC(C)([NH3+])C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000262014873 377879566 /nfs/dbraw/zinc/87/95/66/377879566.db2.gz VNAUUWPBFNFXMM-UHFFFAOYSA-N 2 1 266.816 3.257 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262070074 377884643 /nfs/dbraw/zinc/88/46/43/377884643.db2.gz RZLVZHQDFCEVMB-GOSISDBHSA-N 2 1 282.387 3.132 20 0 CGADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262070074 377884648 /nfs/dbraw/zinc/88/46/48/377884648.db2.gz RZLVZHQDFCEVMB-GOSISDBHSA-N 2 1 282.387 3.132 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261772245 377850887 /nfs/dbraw/zinc/85/08/87/377850887.db2.gz DUNODVAJJNPOIX-CRAIPNDOSA-N 2 1 272.436 3.254 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000343643784 378051388 /nfs/dbraw/zinc/05/13/88/378051388.db2.gz ZETPBFDBUVEBJL-CABCVRRESA-N 2 1 288.366 3.288 20 0 CGADMP Fc1ccc2oc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000343643784 378051393 /nfs/dbraw/zinc/05/13/93/378051393.db2.gz ZETPBFDBUVEBJL-CABCVRRESA-N 2 1 288.366 3.288 20 0 CGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000578347370 378060494 /nfs/dbraw/zinc/06/04/94/378060494.db2.gz DSOBXLSONUYTQR-JTQLQIEISA-N 2 1 260.834 3.440 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000268794190 378114229 /nfs/dbraw/zinc/11/42/29/378114229.db2.gz HJGWYFQOMGACEE-GUYCJALGSA-N 2 1 269.392 3.420 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268778379 378108138 /nfs/dbraw/zinc/10/81/38/378108138.db2.gz SHQMHSLMPAERHC-CQSZACIVSA-N 2 1 276.424 3.098 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268778379 378108146 /nfs/dbraw/zinc/10/81/46/378108146.db2.gz SHQMHSLMPAERHC-CQSZACIVSA-N 2 1 276.424 3.098 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000579846829 378202098 /nfs/dbraw/zinc/20/20/98/378202098.db2.gz IREVZQCQNQACNA-XHSDSOJGSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000580037818 378218522 /nfs/dbraw/zinc/21/85/22/378218522.db2.gz SXOKJKVPAWOFAY-WCXIOVBPSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000580037818 378218529 /nfs/dbraw/zinc/21/85/29/378218529.db2.gz SXOKJKVPAWOFAY-WCXIOVBPSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000580037818 378218532 /nfs/dbraw/zinc/21/85/32/378218532.db2.gz SXOKJKVPAWOFAY-WCXIOVBPSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000580037818 378218535 /nfs/dbraw/zinc/21/85/35/378218535.db2.gz SXOKJKVPAWOFAY-WCXIOVBPSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000580037818 378218540 /nfs/dbraw/zinc/21/85/40/378218540.db2.gz SXOKJKVPAWOFAY-WCXIOVBPSA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000579554052 378170778 /nfs/dbraw/zinc/17/07/78/378170778.db2.gz AQSHEPVPILZDAJ-CAOSSQGBSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000579554052 378170786 /nfs/dbraw/zinc/17/07/86/378170786.db2.gz AQSHEPVPILZDAJ-CAOSSQGBSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000579563939 378172660 /nfs/dbraw/zinc/17/26/60/378172660.db2.gz GXLJYKNWETYAAA-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccs1)C(C)C ZINC000270840000 378404786 /nfs/dbraw/zinc/40/47/86/378404786.db2.gz NGOJZRGPJLYSCV-UHFFFAOYSA-N 2 1 263.410 3.164 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccs1)C(C)C ZINC000270840000 378404792 /nfs/dbraw/zinc/40/47/92/378404792.db2.gz NGOJZRGPJLYSCV-UHFFFAOYSA-N 2 1 263.410 3.164 20 0 CGADMP Cc1nccn1CC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000270675458 378385889 /nfs/dbraw/zinc/38/58/89/378385889.db2.gz SNRSVIRSHWQONJ-QGZVFWFLSA-N 2 1 269.392 3.337 20 0 CGADMP [NH3+][C@@H]1CCC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000346081640 378457461 /nfs/dbraw/zinc/45/74/61/378457461.db2.gz DPBSNIXPERXGCA-QGZVFWFLSA-N 2 1 268.404 3.196 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000346081640 378457466 /nfs/dbraw/zinc/45/74/66/378457466.db2.gz DPBSNIXPERXGCA-QGZVFWFLSA-N 2 1 268.404 3.196 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000272284513 378604398 /nfs/dbraw/zinc/60/43/98/378604398.db2.gz NEIHQKMFEYMTSA-KDOFPFPSSA-N 2 1 283.419 3.413 20 0 CGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000346538454 378610532 /nfs/dbraw/zinc/61/05/32/378610532.db2.gz SMLOWUUXMVBKLB-HUUCEWRRSA-N 2 1 281.469 3.236 20 0 CGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000346677621 378672596 /nfs/dbraw/zinc/67/25/96/378672596.db2.gz KSYQKTTWEMDCMI-HNNXBMFYSA-N 2 1 278.371 3.377 20 0 CGADMP Cc1scc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000638029452 378675587 /nfs/dbraw/zinc/67/55/87/378675587.db2.gz PPIQUEJGFVHMFV-UHFFFAOYSA-N 2 1 266.454 3.139 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](C)CC(C)C ZINC000347954225 378738800 /nfs/dbraw/zinc/73/88/00/378738800.db2.gz ZZKVLKYMNUZMAN-UONOGXRCSA-N 2 1 251.418 3.099 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](C)CC(C)C ZINC000347954226 378739194 /nfs/dbraw/zinc/73/91/94/378739194.db2.gz ZZKVLKYMNUZMAN-ZIAGYGMSSA-N 2 1 251.418 3.099 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2OC)C[C@H]1C ZINC000638110723 378703052 /nfs/dbraw/zinc/70/30/52/378703052.db2.gz OZJIVPDOLHPRMV-HZPDHXFCSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2OC)C[C@H]1C ZINC000638110723 378703060 /nfs/dbraw/zinc/70/30/60/378703060.db2.gz OZJIVPDOLHPRMV-HZPDHXFCSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2OC)C[C@H]1C ZINC000638110723 378703064 /nfs/dbraw/zinc/70/30/64/378703064.db2.gz OZJIVPDOLHPRMV-HZPDHXFCSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2OC)C[C@H]1C ZINC000638110723 378703071 /nfs/dbraw/zinc/70/30/71/378703071.db2.gz OZJIVPDOLHPRMV-HZPDHXFCSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)cccc2OC)C1 ZINC000638124886 378709463 /nfs/dbraw/zinc/70/94/63/378709463.db2.gz XREVUGBGLQZLCH-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)cccc2OC)C1 ZINC000638124886 378709468 /nfs/dbraw/zinc/70/94/68/378709468.db2.gz XREVUGBGLQZLCH-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNc3ccccc32)CC[N@@H+]1C ZINC000348039923 378761614 /nfs/dbraw/zinc/76/16/14/378761614.db2.gz GDBUPWIPKGRBSL-CKEIUWERSA-N 2 1 273.424 3.006 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNc3ccccc32)CC[N@H+]1C ZINC000348039923 378761622 /nfs/dbraw/zinc/76/16/22/378761622.db2.gz GDBUPWIPKGRBSL-CKEIUWERSA-N 2 1 273.424 3.006 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638563242 378835621 /nfs/dbraw/zinc/83/56/21/378835621.db2.gz KXNSUNDTTYJIJG-WFASDCNBSA-N 2 1 282.378 3.272 20 0 CGADMP CC(C)[N@H+](Cc1ccc(Br)cc1)CC(C)(C)[NH3+] ZINC000346849827 218036019 /nfs/dbraw/zinc/03/60/19/218036019.db2.gz SPRJGIDQNLWBIX-UHFFFAOYSA-N 2 1 299.256 3.397 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(Br)cc1)CC(C)(C)[NH3+] ZINC000346849827 218036021 /nfs/dbraw/zinc/03/60/21/218036021.db2.gz SPRJGIDQNLWBIX-UHFFFAOYSA-N 2 1 299.256 3.397 20 0 CGADMP CO[C@H](C[NH2+]CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000638674986 378868694 /nfs/dbraw/zinc/86/86/94/378868694.db2.gz PKTUWHWPJKQPOQ-QGZVFWFLSA-N 2 1 293.455 3.157 20 0 CGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000274826604 378902984 /nfs/dbraw/zinc/90/29/84/378902984.db2.gz CHOVEXNGHFFNPY-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000274826604 378902989 /nfs/dbraw/zinc/90/29/89/378902989.db2.gz CHOVEXNGHFFNPY-STQMWFEESA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000274826583 378903266 /nfs/dbraw/zinc/90/32/66/378903266.db2.gz CHOVEXNGHFFNPY-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000274826583 378903270 /nfs/dbraw/zinc/90/32/70/378903270.db2.gz CHOVEXNGHFFNPY-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CC(C)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000638699833 378879178 /nfs/dbraw/zinc/87/91/78/378879178.db2.gz COQJMHKQRZNFDL-GOOCMWNKSA-N 2 1 250.430 3.028 20 0 CGADMP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347100615 218121695 /nfs/dbraw/zinc/12/16/95/218121695.db2.gz LPXHRQAGFIOFMS-UHFFFAOYSA-N 2 1 290.304 3.028 20 0 CGADMP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347100615 218121697 /nfs/dbraw/zinc/12/16/97/218121697.db2.gz LPXHRQAGFIOFMS-UHFFFAOYSA-N 2 1 290.304 3.028 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000347131581 218133306 /nfs/dbraw/zinc/13/33/06/218133306.db2.gz RIPODYXACWSPCS-HNAYVOBHSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152894 218139804 /nfs/dbraw/zinc/13/98/04/218139804.db2.gz BMXGKZFUNPDFON-HNAYVOBHSA-N 2 1 295.430 3.450 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152894 218139805 /nfs/dbraw/zinc/13/98/05/218139805.db2.gz BMXGKZFUNPDFON-HNAYVOBHSA-N 2 1 295.430 3.450 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000276979555 379037176 /nfs/dbraw/zinc/03/71/76/379037176.db2.gz YDQGDIXURVKMBO-UHFFFAOYSA-N 2 1 276.424 3.006 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000639117208 379040432 /nfs/dbraw/zinc/04/04/32/379040432.db2.gz DRHLAMGODHMWTO-NUEKZKHPSA-N 2 1 294.389 3.142 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000639169581 379090112 /nfs/dbraw/zinc/09/01/12/379090112.db2.gz GALSOBNURDNFEI-IAGOWNOFSA-N 2 1 286.463 3.111 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCCC12CC2)C1CCCCC1 ZINC000568274485 322202874 /nfs/dbraw/zinc/20/28/74/322202874.db2.gz BIAODUDPZQLRPK-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC12CC2)C1CCCCC1 ZINC000568274485 322202875 /nfs/dbraw/zinc/20/28/75/322202875.db2.gz BIAODUDPZQLRPK-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(C(C)C)s1 ZINC000349419320 379276465 /nfs/dbraw/zinc/27/64/65/379276465.db2.gz OZDIQNQYJHGDML-UHFFFAOYSA-N 2 1 292.452 3.294 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(C(C)C)s1 ZINC000349419320 379276475 /nfs/dbraw/zinc/27/64/75/379276475.db2.gz OZDIQNQYJHGDML-UHFFFAOYSA-N 2 1 292.452 3.294 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278941472 194221955 /nfs/dbraw/zinc/22/19/55/194221955.db2.gz KIPHTQLMHVOBQK-CABCVRRESA-N 2 1 299.418 3.195 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278926378 194216155 /nfs/dbraw/zinc/21/61/55/194216155.db2.gz IMFZGBXENDOINR-HZPDHXFCSA-N 2 1 283.419 3.413 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000278361361 379361937 /nfs/dbraw/zinc/36/19/37/379361937.db2.gz AVRGZMVEIGXXKD-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000278361361 379361944 /nfs/dbraw/zinc/36/19/44/379361944.db2.gz AVRGZMVEIGXXKD-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000278361361 379361949 /nfs/dbraw/zinc/36/19/49/379361949.db2.gz AVRGZMVEIGXXKD-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000278361361 379361956 /nfs/dbraw/zinc/36/19/56/379361956.db2.gz AVRGZMVEIGXXKD-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC000278952547 194228374 /nfs/dbraw/zinc/22/83/74/194228374.db2.gz LMIDLUSAQSXTNU-GXTWGEPZSA-N 2 1 289.448 3.475 20 0 CGADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534015 379457809 /nfs/dbraw/zinc/45/78/09/379457809.db2.gz SVSMNVFEZJGMPI-RDTXWAMCSA-N 2 1 289.467 3.169 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534015 379457817 /nfs/dbraw/zinc/45/78/17/379457817.db2.gz SVSMNVFEZJGMPI-RDTXWAMCSA-N 2 1 289.467 3.169 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534015 379457834 /nfs/dbraw/zinc/45/78/34/379457834.db2.gz SVSMNVFEZJGMPI-RDTXWAMCSA-N 2 1 289.467 3.169 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3ncccc13)C2 ZINC000639660504 379532108 /nfs/dbraw/zinc/53/21/08/379532108.db2.gz UUBXQOZPQLOILI-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3ncccc13)C2 ZINC000639660504 379532114 /nfs/dbraw/zinc/53/21/14/379532114.db2.gz UUBXQOZPQLOILI-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3ncccc13)C2 ZINC000639660504 379532117 /nfs/dbraw/zinc/53/21/17/379532117.db2.gz UUBXQOZPQLOILI-LJQANCHMSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2cccnc2)C1 ZINC000639693634 379550729 /nfs/dbraw/zinc/55/07/29/379550729.db2.gz RHKIIPIKTKGJHE-MSOLQXFVSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639693634 379550734 /nfs/dbraw/zinc/55/07/34/379550734.db2.gz RHKIIPIKTKGJHE-MSOLQXFVSA-N 2 1 287.451 3.135 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639693634 379550739 /nfs/dbraw/zinc/55/07/39/379550739.db2.gz RHKIIPIKTKGJHE-MSOLQXFVSA-N 2 1 287.451 3.135 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCO1 ZINC000375887867 379513885 /nfs/dbraw/zinc/51/38/85/379513885.db2.gz JZIWYSAFPKCNSS-UYTYNIKBSA-N 2 1 294.483 3.043 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000266949875 190292756 /nfs/dbraw/zinc/29/27/56/190292756.db2.gz TYMMRBWFJIIHKT-HNNXBMFYSA-N 2 1 269.392 3.406 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]1Cc1ccccc1 ZINC000351473467 379721477 /nfs/dbraw/zinc/72/14/77/379721477.db2.gz UYVUUVGITKTTTI-MSOLQXFVSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000351473467 379721480 /nfs/dbraw/zinc/72/14/80/379721480.db2.gz UYVUUVGITKTTTI-MSOLQXFVSA-N 2 1 272.436 3.178 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000351473467 379721484 /nfs/dbraw/zinc/72/14/84/379721484.db2.gz UYVUUVGITKTTTI-MSOLQXFVSA-N 2 1 272.436 3.178 20 0 CGADMP CC(C)[NH+]1CCC(N(C)c2cc[nH+]cc2Cl)CC1 ZINC000267336025 190321954 /nfs/dbraw/zinc/32/19/54/190321954.db2.gz COSUGLQPCNXWPL-UHFFFAOYSA-N 2 1 267.804 3.044 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCC(=O)CC)CC1 ZINC000347733573 218338914 /nfs/dbraw/zinc/33/89/14/218338914.db2.gz FYEXHIUNBDZMIM-UHFFFAOYSA-N 2 1 282.472 3.190 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000392250861 379911554 /nfs/dbraw/zinc/91/15/54/379911554.db2.gz VOZBXRVZQYZYDV-UHFFFAOYSA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000392864079 379913461 /nfs/dbraw/zinc/91/34/61/379913461.db2.gz GAZFPAQHUJZESF-LSDHHAIUSA-N 2 1 270.486 3.126 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000394589887 379919430 /nfs/dbraw/zinc/91/94/30/379919430.db2.gz ZDUICGOEWHGJNH-XUWVNRHRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398036168 379927024 /nfs/dbraw/zinc/92/70/24/379927024.db2.gz PWDKHAZDOHVKGU-SJLPKXTDSA-N 2 1 272.436 3.453 20 0 CGADMP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)C[NH+](C)C ZINC000387491688 379876784 /nfs/dbraw/zinc/87/67/84/379876784.db2.gz RSGGQNGBJKNPPO-ZDUSSCGKSA-N 2 1 290.382 3.373 20 0 CGADMP C[C@H]1CCC[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000389014720 379891760 /nfs/dbraw/zinc/89/17/60/379891760.db2.gz XOKBSALYFSDFAH-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(F)(F)F ZINC000402554519 379967645 /nfs/dbraw/zinc/96/76/45/379967645.db2.gz GFQAPYZTBOUIHY-NSHDSACASA-N 2 1 278.362 3.181 20 0 CGADMP CCc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000352774916 379952209 /nfs/dbraw/zinc/95/22/09/379952209.db2.gz YNSBCZGMMHUDRR-HZPDHXFCSA-N 2 1 289.467 3.102 20 0 CGADMP CC[N@H+](C)C[C@@H]1CCN(c2cc(C(C)(C)C)cc[nH+]2)C1 ZINC000641407219 379999714 /nfs/dbraw/zinc/99/97/14/379999714.db2.gz YVOXZWPKVJNSEG-AWEZNQCLSA-N 2 1 275.440 3.157 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C(C)(C)C)cc[nH+]2)C1 ZINC000641407219 379999723 /nfs/dbraw/zinc/99/97/23/379999723.db2.gz YVOXZWPKVJNSEG-AWEZNQCLSA-N 2 1 275.440 3.157 20 0 CGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000352860241 380009486 /nfs/dbraw/zinc/00/94/86/380009486.db2.gz AALOLYDHQOESJY-RYQLBKOJSA-N 2 1 294.483 3.069 20 0 CGADMP C[NH+](C)[C@@H]1CCCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641536239 380022325 /nfs/dbraw/zinc/02/23/25/380022325.db2.gz MBNMCYVCNQOWJR-OAHLLOKOSA-N 2 1 275.440 3.300 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000267913404 190362465 /nfs/dbraw/zinc/36/24/65/190362465.db2.gz FMWDLFUQGHNCBN-MAUKXSAKSA-N 2 1 283.419 3.015 20 0 CGADMP C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347913618 218398439 /nfs/dbraw/zinc/39/84/39/218398439.db2.gz APBKEVKQVPBPQT-SJLPKXTDSA-N 2 1 298.430 3.322 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000410394594 380092088 /nfs/dbraw/zinc/09/20/88/380092088.db2.gz BZRHLLZNBJZJSH-HZPDHXFCSA-N 2 1 254.462 3.332 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000410394594 380092091 /nfs/dbraw/zinc/09/20/91/380092091.db2.gz BZRHLLZNBJZJSH-HZPDHXFCSA-N 2 1 254.462 3.332 20 0 CGADMP c1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000414093242 380189625 /nfs/dbraw/zinc/18/96/25/380189625.db2.gz GYLIAVUTLFCMSK-UHFFFAOYSA-N 2 1 270.420 3.282 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414168455 380197396 /nfs/dbraw/zinc/19/73/96/380197396.db2.gz ADZLXSNHAGKOGH-QWQRMKEZSA-N 2 1 290.426 3.381 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cnn1C(C)C ZINC000414196016 380201123 /nfs/dbraw/zinc/20/11/23/380201123.db2.gz UXZAYFFNVATBBR-GDBMZVCRSA-N 2 1 292.471 3.155 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000643057864 380209028 /nfs/dbraw/zinc/20/90/28/380209028.db2.gz NYTPLNQPHVLQMW-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(F)c1 ZINC000643477596 380317707 /nfs/dbraw/zinc/31/77/07/380317707.db2.gz PTFJAYRBQZVFHL-KYTZWMPUSA-N 2 1 282.790 3.413 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000643498992 380320863 /nfs/dbraw/zinc/32/08/63/380320863.db2.gz ITKOIPZODAILPG-AWEZNQCLSA-N 2 1 282.815 3.143 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502486 380326121 /nfs/dbraw/zinc/32/61/21/380326121.db2.gz HVHOAKDAOWZUKO-WFASDCNBSA-N 2 1 282.378 3.018 20 0 CGADMP Clc1ccc([C@@H]2CC[C@H]([NH2+]CC[NH2+]C3CC3)C2)cc1 ZINC000643508020 380330347 /nfs/dbraw/zinc/33/03/47/380330347.db2.gz ZWKTYFGGJDOLHP-CJNGLKHVSA-N 2 1 278.827 3.318 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)Cc1cccs1 ZINC000643514340 380334139 /nfs/dbraw/zinc/33/41/39/380334139.db2.gz JRTBACUBMHKEMP-OLZOCXBDSA-N 2 1 254.443 3.176 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000414527531 380300772 /nfs/dbraw/zinc/30/07/72/380300772.db2.gz RJKZROBGECWPSY-CYBMUJFWSA-N 2 1 284.407 3.196 20 0 CGADMP COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000643457619 380310089 /nfs/dbraw/zinc/31/00/89/380310089.db2.gz RBYKNMKHXJQQNX-CYBMUJFWSA-N 2 1 299.418 3.131 20 0 CGADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414679556 380369645 /nfs/dbraw/zinc/36/96/45/380369645.db2.gz LROXEQRZQKCXDO-AGIUHOORSA-N 2 1 282.378 3.346 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414684572 380372557 /nfs/dbraw/zinc/37/25/57/380372557.db2.gz VZMXNKQNLRSEMU-RDBSUJKOSA-N 2 1 264.388 3.207 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000414690342 380376849 /nfs/dbraw/zinc/37/68/49/380376849.db2.gz AIIBDRXDRQKDQP-FUHWJXTLSA-N 2 1 289.467 3.263 20 0 CGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000414690342 380376855 /nfs/dbraw/zinc/37/68/55/380376855.db2.gz AIIBDRXDRQKDQP-FUHWJXTLSA-N 2 1 289.467 3.263 20 0 CGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414699183 380380287 /nfs/dbraw/zinc/38/02/87/380380287.db2.gz DLVGQHYNSHYXCV-JJXSEGSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@@H+](C[C@@H]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000414715279 380384916 /nfs/dbraw/zinc/38/49/16/380384916.db2.gz MUPVPUWKXWQVLT-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1C(F)(F)F ZINC000414730427 380389077 /nfs/dbraw/zinc/38/90/77/380389077.db2.gz GWRUVFYGIOCBGO-CQSZACIVSA-N 2 1 286.341 3.185 20 0 CGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414756538 380392639 /nfs/dbraw/zinc/39/26/39/380392639.db2.gz JZADZIPLYNRCHA-ULQDDVLXSA-N 2 1 274.452 3.246 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000643528073 380345627 /nfs/dbraw/zinc/34/56/27/380345627.db2.gz YQTXSIDBELFMGA-BXUZGUMPSA-N 2 1 299.256 3.473 20 0 CGADMP COc1ccc2oc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc2c1 ZINC000414654301 380353563 /nfs/dbraw/zinc/35/35/63/380353563.db2.gz BWKSSYBVZILHRX-MRXNPFEDSA-N 2 1 290.407 3.247 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414655665 380353694 /nfs/dbraw/zinc/35/36/94/380353694.db2.gz DSXPCNIAPBOIDC-IDCNUPLLSA-N 2 1 272.436 3.166 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414655812 380354555 /nfs/dbraw/zinc/35/45/55/380354555.db2.gz HMLFBRSXUIRAIE-BXUZGUMPSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414655812 380354560 /nfs/dbraw/zinc/35/45/60/380354560.db2.gz HMLFBRSXUIRAIE-BXUZGUMPSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414657229 380354840 /nfs/dbraw/zinc/35/48/40/380354840.db2.gz NZXNVRFARCXENW-RISCZKNCSA-N 2 1 286.341 3.232 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414657229 380354847 /nfs/dbraw/zinc/35/48/47/380354847.db2.gz NZXNVRFARCXENW-RISCZKNCSA-N 2 1 286.341 3.232 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000643545909 380357760 /nfs/dbraw/zinc/35/77/60/380357760.db2.gz FKXCNRLHRDWXDX-OLZOCXBDSA-N 2 1 262.397 3.167 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000643546581 380359795 /nfs/dbraw/zinc/35/97/95/380359795.db2.gz RIRUMVXLXOGLBM-AAEUAGOBSA-N 2 1 280.362 3.290 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000354199142 380362631 /nfs/dbraw/zinc/36/26/31/380362631.db2.gz NPOSPRRGUQWGEJ-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000354199142 380362637 /nfs/dbraw/zinc/36/26/37/380362637.db2.gz NPOSPRRGUQWGEJ-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000414855620 380456952 /nfs/dbraw/zinc/45/69/52/380456952.db2.gz XJVBOZJXRVDWGO-ZDUSSCGKSA-N 2 1 262.422 3.364 20 0 CGADMP CC(C)CC[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000644522413 380439115 /nfs/dbraw/zinc/43/91/15/380439115.db2.gz VSNVNPZXROBQBG-DLBZAZTESA-N 2 1 284.488 3.028 20 0 CGADMP Cc1cc2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)oc2cc1C ZINC000414832492 380440232 /nfs/dbraw/zinc/44/02/32/380440232.db2.gz QOCAKUVLFZCYIC-CQSZACIVSA-N 2 1 272.392 3.139 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2ncccc2c1)C1CCCCC1 ZINC000414834064 380442292 /nfs/dbraw/zinc/44/22/92/380442292.db2.gz GKSYNVHFMHQJCQ-GOSISDBHSA-N 2 1 283.419 3.232 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000414847417 380451039 /nfs/dbraw/zinc/45/10/39/380451039.db2.gz VURWIUJBJKMBLT-MRXNPFEDSA-N 2 1 298.430 3.211 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)cs1)C1CCCCC1 ZINC000414851838 380453605 /nfs/dbraw/zinc/45/36/05/380453605.db2.gz PVDSOVCKCPTOTC-ZDUSSCGKSA-N 2 1 272.845 3.399 20 0 CGADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000414851518 380454392 /nfs/dbraw/zinc/45/43/92/380454392.db2.gz PAAIHGNEIAQKMN-CXAGYDPISA-N 2 1 278.415 3.426 20 0 CGADMP COc1ccccc1C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854331 380455316 /nfs/dbraw/zinc/45/53/16/380455316.db2.gz UWDPKYBXXDGTIC-WMLDXEAASA-N 2 1 290.451 3.123 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414784189 380402249 /nfs/dbraw/zinc/40/22/49/380402249.db2.gz QWIJCSBEEIZSIM-JKSUJKDBSA-N 2 1 292.854 3.470 20 0 CGADMP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781472 380403189 /nfs/dbraw/zinc/40/31/89/380403189.db2.gz MYIVQVMXVNQPPG-STQMWFEESA-N 2 1 296.817 3.301 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3cnccc31)CC[NH2+]CC2 ZINC000643973805 380404246 /nfs/dbraw/zinc/40/42/46/380404246.db2.gz YKCRMSCMAXUDGZ-OAHLLOKOSA-N 2 1 295.430 3.199 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414852841 380455944 /nfs/dbraw/zinc/45/59/44/380455944.db2.gz WOKKFCFAPKCVBU-GJZGRUSLSA-N 2 1 266.816 3.175 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000414790326 380407474 /nfs/dbraw/zinc/40/74/74/380407474.db2.gz ZPVRXWUDQVDQAY-AEFFLSMTSA-N 2 1 272.436 3.125 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000414807780 380420296 /nfs/dbraw/zinc/42/02/96/380420296.db2.gz JUCLZMBVHKKZLX-UHFFFAOYSA-N 2 1 271.408 3.150 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[NH2+]1 ZINC000414942971 380499901 /nfs/dbraw/zinc/49/99/01/380499901.db2.gz DXHOIJYBDCJDPT-YPMHNXCESA-N 2 1 279.453 3.031 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000415115109 380509514 /nfs/dbraw/zinc/50/95/14/380509514.db2.gz UECRTFNEZXSNTL-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP [NH3+][C@@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)C1CC1 ZINC000414899455 380480701 /nfs/dbraw/zinc/48/07/01/380480701.db2.gz USFZLHFXNDPRSU-IBGZPJMESA-N 2 1 296.414 3.093 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC000644843041 380527389 /nfs/dbraw/zinc/52/73/89/380527389.db2.gz GBCFGSZCDDKPQE-SFHVURJKSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000644843041 380527394 /nfs/dbraw/zinc/52/73/94/380527394.db2.gz GBCFGSZCDDKPQE-SFHVURJKSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000644843041 380527399 /nfs/dbraw/zinc/52/73/99/380527399.db2.gz GBCFGSZCDDKPQE-SFHVURJKSA-N 2 1 270.420 3.092 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N[C@H](C)CC[NH+](C)C ZINC000645140165 380592786 /nfs/dbraw/zinc/59/27/86/380592786.db2.gz NHIMWDKZAYUBJA-CYBMUJFWSA-N 2 1 257.381 3.295 20 0 CGADMP Cc1ccccc1C1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000645980417 380790859 /nfs/dbraw/zinc/79/08/59/380790859.db2.gz FZJCIYWGEKIFKP-HNNXBMFYSA-N 2 1 258.409 3.058 20 0 CGADMP Fc1cccc(C[C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420295825 380845479 /nfs/dbraw/zinc/84/54/79/380845479.db2.gz AXHHVJQMTDTBEZ-CRAIPNDOSA-N 2 1 290.426 3.222 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC2CCCCC2)cc1 ZINC000420321713 380848723 /nfs/dbraw/zinc/84/87/23/380848723.db2.gz RLDVGPKXNDNQKF-QGZVFWFLSA-N 2 1 290.451 3.250 20 0 CGADMP c1cc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000420319982 380849334 /nfs/dbraw/zinc/84/93/34/380849334.db2.gz PUQDUGLNZQWALY-ZFWWWQNUSA-N 2 1 264.438 3.275 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420400303 380852734 /nfs/dbraw/zinc/85/27/34/380852734.db2.gz IKDZYRLNTVZSNW-ZANVPECISA-N 2 1 272.314 3.093 20 0 CGADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000356844331 380899575 /nfs/dbraw/zinc/89/95/75/380899575.db2.gz HQDBHRQXOXNECE-XDNAFOTISA-N 2 1 284.447 3.285 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421379326 380921323 /nfs/dbraw/zinc/92/13/23/380921323.db2.gz ILQZVFLFYHOQCZ-HNNXBMFYSA-N 2 1 272.436 3.386 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CC(C)(C)SC ZINC001246977657 804625133 /nfs/dbraw/zinc/62/51/33/804625133.db2.gz SUNBTTPHFGLMQJ-KBPBESRZSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000572589967 322344797 /nfs/dbraw/zinc/34/47/97/322344797.db2.gz WWOKTCQLQYEBOW-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211937612 542284726 /nfs/dbraw/zinc/28/47/26/542284726.db2.gz ILQOMZZBJNKDDN-QGZVFWFLSA-N 2 1 258.409 3.097 20 0 CGADMP C[N@@H+](Cc1ccsc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211934157 542284523 /nfs/dbraw/zinc/28/45/23/542284523.db2.gz KIUIVLGHHMVJPI-UHFFFAOYSA-N 2 1 272.417 3.026 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969464 381634751 /nfs/dbraw/zinc/63/47/51/381634751.db2.gz GYIMYEDBAYQDOJ-HOTGVXAUSA-N 2 1 278.465 3.097 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969464 381634759 /nfs/dbraw/zinc/63/47/59/381634759.db2.gz GYIMYEDBAYQDOJ-HOTGVXAUSA-N 2 1 278.465 3.097 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969464 381634768 /nfs/dbraw/zinc/63/47/68/381634768.db2.gz GYIMYEDBAYQDOJ-HOTGVXAUSA-N 2 1 278.465 3.097 20 0 CGADMP CC[N@H+]1CCC[C@H](CNCc2cc(F)cc(Cl)c2)C1 ZINC000362506088 382024214 /nfs/dbraw/zinc/02/42/14/382024214.db2.gz QKFLNTRHLMDOLY-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362506088 382024223 /nfs/dbraw/zinc/02/42/23/382024223.db2.gz QKFLNTRHLMDOLY-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ncsc2c1 ZINC000362712906 382105371 /nfs/dbraw/zinc/10/53/71/382105371.db2.gz BYEWHQIEFYTAFR-MBNYWOFBSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ncsc2c1 ZINC000362712906 382105379 /nfs/dbraw/zinc/10/53/79/382105379.db2.gz BYEWHQIEFYTAFR-MBNYWOFBSA-N 2 1 289.448 3.430 20 0 CGADMP Fc1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)[nH]c2c1 ZINC000362923171 382151086 /nfs/dbraw/zinc/15/10/86/382151086.db2.gz IGBFPEWTRDWBDU-HOCLYGCPSA-N 2 1 287.382 3.023 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(OC(C)C)cc2)CC[C@H]1[NH3+] ZINC000251555153 542346369 /nfs/dbraw/zinc/34/63/69/542346369.db2.gz BGZAQMOWABLHES-DOTOQJQBSA-N 2 1 276.424 3.033 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1[NH3+] ZINC000251595418 542346449 /nfs/dbraw/zinc/34/64/49/542346449.db2.gz CVTHUKVAXURZNT-RHSMWYFYSA-N 2 1 258.409 3.123 20 0 CGADMP CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000251678099 542347451 /nfs/dbraw/zinc/34/74/51/542347451.db2.gz HUDASKQCYAZXIL-JMSVASOKSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H]1C[N@H+]([C@H](C)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000251678099 542347457 /nfs/dbraw/zinc/34/74/57/542347457.db2.gz HUDASKQCYAZXIL-JMSVASOKSA-N 2 1 266.816 3.460 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251727365 542347792 /nfs/dbraw/zinc/34/77/92/542347792.db2.gz KFXWQGUIBADLOB-WQVCFCJDSA-N 2 1 264.388 3.336 20 0 CGADMP CCc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250272504 542342616 /nfs/dbraw/zinc/34/26/16/542342616.db2.gz SDJGVTHCICPYLD-QZTJIDSGSA-N 2 1 272.436 3.213 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1F ZINC000251041489 542345313 /nfs/dbraw/zinc/34/53/13/542345313.db2.gz LSVJEKJBXVDOPO-NVXWUHKLSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1F ZINC000251041489 542345317 /nfs/dbraw/zinc/34/53/17/542345317.db2.gz LSVJEKJBXVDOPO-NVXWUHKLSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000251001213 542345364 /nfs/dbraw/zinc/34/53/64/542345364.db2.gz KXPCYPYCKBTFKC-ZWKOTPCHSA-N 2 1 272.436 3.267 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC[C@H]1[NH3+] ZINC000252704468 542350819 /nfs/dbraw/zinc/35/08/19/542350819.db2.gz NFYUXBHJXCMZCA-TZMCWYRMSA-N 2 1 268.351 3.183 20 0 CGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423125166 532966687 /nfs/dbraw/zinc/96/66/87/532966687.db2.gz NCZJZBDHPLYIAY-KGLIPLIRSA-N 2 1 293.455 3.112 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000280963590 195048129 /nfs/dbraw/zinc/04/81/29/195048129.db2.gz ZFBIIJUSAPLCFF-QXRTWZOPSA-N 2 1 290.426 3.392 20 0 CGADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)C(C)C ZINC000420310069 285076576 /nfs/dbraw/zinc/07/65/76/285076576.db2.gz UUVOMLWDUZLSBP-HOCLYGCPSA-N 2 1 278.440 3.104 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000271815521 542366633 /nfs/dbraw/zinc/36/66/33/542366633.db2.gz BIENNHLKTOCAGI-OAHLLOKOSA-N 2 1 292.423 3.214 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000353749582 220302643 /nfs/dbraw/zinc/30/26/43/220302643.db2.gz VQRHGALACVIXLN-KRWDZBQOSA-N 2 1 298.434 3.442 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC=CCC2)C[C@@H]1C ZINC000353752701 220306101 /nfs/dbraw/zinc/30/61/01/220306101.db2.gz UAMLVUGDYQBMEB-XHSDSOJGSA-N 2 1 250.430 3.147 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC=CCC2)C[C@@H]1C ZINC000353752701 220306105 /nfs/dbraw/zinc/30/61/05/220306105.db2.gz UAMLVUGDYQBMEB-XHSDSOJGSA-N 2 1 250.430 3.147 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC=CCC2)C[C@@H]1C ZINC000353752701 220306108 /nfs/dbraw/zinc/30/61/08/220306108.db2.gz UAMLVUGDYQBMEB-XHSDSOJGSA-N 2 1 250.430 3.147 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000338692862 285191673 /nfs/dbraw/zinc/19/16/73/285191673.db2.gz JZRTZTJKNBBUOA-OLMNPRSZSA-N 2 1 272.436 3.253 20 0 CGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CC(C)C)cc1 ZINC000423324883 533147765 /nfs/dbraw/zinc/14/77/65/533147765.db2.gz IKGIGRIILNZBAZ-JCGIZDLHSA-N 2 1 290.451 3.165 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000414085302 533174157 /nfs/dbraw/zinc/17/41/57/533174157.db2.gz YOFUIPCOQDOWRV-ARFHVFGLSA-N 2 1 288.435 3.281 20 0 CGADMP C/C=C\C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309724574 542426024 /nfs/dbraw/zinc/42/60/24/542426024.db2.gz PDYGBRBGTKPYTC-MXTKCAFNSA-N 2 1 258.409 3.063 20 0 CGADMP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)ccc2c1 ZINC000423339184 533337035 /nfs/dbraw/zinc/33/70/35/533337035.db2.gz ZIJPTTKDUHYAGJ-KPZWWZAWSA-N 2 1 284.403 3.236 20 0 CGADMP C[C@@H]([NH2+][C@H](Cc1ccccc1F)c1ccccc1)[C@H](C)[NH3+] ZINC000423461028 533537817 /nfs/dbraw/zinc/53/78/17/533537817.db2.gz JFWYNQRKRMJOBG-PMUMKWKESA-N 2 1 286.394 3.435 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000388243852 542604148 /nfs/dbraw/zinc/60/41/48/542604148.db2.gz FJRKVNMOXZWCKQ-IAQYHMDHSA-N 2 1 268.351 3.041 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000389404515 542608101 /nfs/dbraw/zinc/60/81/01/542608101.db2.gz JMUJXUIVNNIIME-OKILXGFUSA-N 2 1 278.827 3.080 20 0 CGADMP Fc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000051907807 392074242 /nfs/dbraw/zinc/07/42/42/392074242.db2.gz TXKONZLBSRCVNJ-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000052336926 392077913 /nfs/dbraw/zinc/07/79/13/392077913.db2.gz GIOBJTNXUBGYOL-ZBFHGGJFSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000054243949 392089902 /nfs/dbraw/zinc/08/99/02/392089902.db2.gz YNCHFLSNYRLWMY-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)s1 ZINC000049686013 392056704 /nfs/dbraw/zinc/05/67/04/392056704.db2.gz CKXCNYCIKMAVKU-LSDHHAIUSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000049686013 392056709 /nfs/dbraw/zinc/05/67/09/392056709.db2.gz CKXCNYCIKMAVKU-LSDHHAIUSA-N 2 1 264.438 3.081 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000093945001 392240954 /nfs/dbraw/zinc/24/09/54/392240954.db2.gz NHTRAKCCAHFKNM-MLHJIOFPSA-N 2 1 296.499 3.028 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091284894 392229804 /nfs/dbraw/zinc/22/98/04/392229804.db2.gz RYPJUPXPSCTFRX-SFHVURJKSA-N 2 1 290.451 3.004 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Sc1ccccc1 ZINC000361720306 392303091 /nfs/dbraw/zinc/30/30/91/392303091.db2.gz JNWUUZWYIWUEAR-SQWLQELKSA-N 2 1 278.465 3.097 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252668140 131135892 /nfs/dbraw/zinc/13/58/92/131135892.db2.gz SKSNSSHLHKHLBP-OLZOCXBDSA-N 2 1 264.438 3.027 20 0 CGADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453257098 542680670 /nfs/dbraw/zinc/68/06/70/542680670.db2.gz UTBTUECZFMTGCV-KZNAEPCWSA-N 2 1 290.451 3.227 20 0 CGADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000453257098 542680674 /nfs/dbraw/zinc/68/06/74/542680674.db2.gz UTBTUECZFMTGCV-KZNAEPCWSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)C[C@@H]1c1ccccc1 ZINC000453226179 542680832 /nfs/dbraw/zinc/68/08/32/542680832.db2.gz XELMIZDHWILMHF-HUUCEWRRSA-N 2 1 282.378 3.457 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)C[C@@H]1c1ccccc1 ZINC000453226179 542680834 /nfs/dbraw/zinc/68/08/34/542680834.db2.gz XELMIZDHWILMHF-HUUCEWRRSA-N 2 1 282.378 3.457 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(F)F)C[C@H]1c1ccccc1 ZINC000453226175 542681011 /nfs/dbraw/zinc/68/10/11/542681011.db2.gz XELMIZDHWILMHF-GJZGRUSLSA-N 2 1 282.378 3.457 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)C[C@H]1c1ccccc1 ZINC000453226175 542681016 /nfs/dbraw/zinc/68/10/16/542681016.db2.gz XELMIZDHWILMHF-GJZGRUSLSA-N 2 1 282.378 3.457 20 0 CGADMP CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2[nH+]1 ZINC000125686544 392440763 /nfs/dbraw/zinc/44/07/63/392440763.db2.gz SAVQBLZAYFVIQG-CVEARBPZSA-N 2 1 295.430 3.470 20 0 CGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130232688 392453123 /nfs/dbraw/zinc/45/31/23/392453123.db2.gz QFEOKHVJPQNRCM-HRCADAONSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H](CN[C@H]1CCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000151672078 392486736 /nfs/dbraw/zinc/48/67/36/392486736.db2.gz BKGGOUQDPOPSRY-QAPCUYQASA-N 2 1 288.435 3.147 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1 ZINC000163232517 392603031 /nfs/dbraw/zinc/60/30/31/392603031.db2.gz QYMFFOJYHJNZSI-WMLDXEAASA-N 2 1 276.424 3.078 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000166506266 392608253 /nfs/dbraw/zinc/60/82/53/392608253.db2.gz LGGDEUNGMIERMM-KRWDZBQOSA-N 2 1 276.399 3.493 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000482198110 542706592 /nfs/dbraw/zinc/70/65/92/542706592.db2.gz ITMVEEJRBHMABL-JKSUJKDBSA-N 2 1 262.441 3.185 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000647343823 392692940 /nfs/dbraw/zinc/69/29/40/392692940.db2.gz CUZRWPWBRIEZQO-FGTMMUONSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000375051860 392732272 /nfs/dbraw/zinc/73/22/72/392732272.db2.gz XKJRIXAPONUWOI-SNPYCJMFSA-N 2 1 286.463 3.425 20 0 CGADMP Fc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482565 392737418 /nfs/dbraw/zinc/73/74/18/392737418.db2.gz PSHWXUJVSIMYGB-UHFFFAOYSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482565 392737423 /nfs/dbraw/zinc/73/74/23/392737423.db2.gz PSHWXUJVSIMYGB-UHFFFAOYSA-N 2 1 282.790 3.196 20 0 CGADMP CC[C@H]1CCC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482590 392737832 /nfs/dbraw/zinc/73/78/32/392737832.db2.gz RKVHRRDDEYBETQ-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482589 392738026 /nfs/dbraw/zinc/73/80/26/392738026.db2.gz RKVHRRDDEYBETQ-CABCVRRESA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1[NH3+] ZINC000647498682 392742508 /nfs/dbraw/zinc/74/25/08/392742508.db2.gz MZORTZYENWBJQF-SWLSCSKDSA-N 2 1 274.433 3.461 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000647530789 392751413 /nfs/dbraw/zinc/75/14/13/392751413.db2.gz FUEZSAIKFVCWDG-UHFFFAOYSA-N 2 1 270.376 3.260 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000647537120 392756423 /nfs/dbraw/zinc/75/64/23/392756423.db2.gz ZDJLAXGNPYHXPQ-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000647537120 392756432 /nfs/dbraw/zinc/75/64/32/392756432.db2.gz ZDJLAXGNPYHXPQ-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP COc1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1F ZINC000647541406 392757581 /nfs/dbraw/zinc/75/75/81/392757581.db2.gz VPLDIGJXLXNRJD-UHFFFAOYSA-N 2 1 294.414 3.175 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543037 392759474 /nfs/dbraw/zinc/75/94/74/392759474.db2.gz GXBQEMXDKIKFTH-MSOLQXFVSA-N 2 1 272.436 3.207 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542734 392761016 /nfs/dbraw/zinc/76/10/16/392761016.db2.gz BBMQFBKRHKBURN-HOTGVXAUSA-N 2 1 276.399 3.037 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000179634532 392704046 /nfs/dbraw/zinc/70/40/46/392704046.db2.gz HIAMVVGWQWTMGC-HNNXBMFYSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000186993820 392786316 /nfs/dbraw/zinc/78/63/16/392786316.db2.gz CDCGKMWRARHSFQ-MJGOQNOKSA-N 2 1 286.463 3.328 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C/C=C/c2ccc(F)cc2)CC1 ZINC000375507584 392787370 /nfs/dbraw/zinc/78/73/70/392787370.db2.gz PEKUNECKWRAHAL-DUXPYHPUSA-N 2 1 288.410 3.399 20 0 CGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647800449 392801446 /nfs/dbraw/zinc/80/14/46/392801446.db2.gz BELYPUIPKZCDTP-GHMZBOCLSA-N 2 1 252.789 3.045 20 0 CGADMP C[C@H]1CCC[C@H](CC[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815288 392808158 /nfs/dbraw/zinc/80/81/58/392808158.db2.gz XNNRFZJHNDRZHE-LSDHHAIUSA-N 2 1 264.457 3.419 20 0 CGADMP Fc1cccc(Cl)c1CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814719 392808330 /nfs/dbraw/zinc/80/83/30/392808330.db2.gz AXTKSPPOGUPZKN-UHFFFAOYSA-N 2 1 296.817 3.238 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CCCC1 ZINC000510660618 392808705 /nfs/dbraw/zinc/80/87/05/392808705.db2.gz DYEPQIGPSCJSSP-CABCVRRESA-N 2 1 270.436 3.369 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000510698953 392810065 /nfs/dbraw/zinc/81/00/65/392810065.db2.gz ANHNYXKMLSDCTR-OWCLPIDISA-N 2 1 270.436 3.226 20 0 CGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647874637 392820221 /nfs/dbraw/zinc/82/02/21/392820221.db2.gz IMHLDXWVOKSQSX-QWHCGFSZSA-N 2 1 258.365 3.035 20 0 CGADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000647874587 392821095 /nfs/dbraw/zinc/82/10/95/392821095.db2.gz BKWZSWFUXYEOAD-GOSISDBHSA-N 2 1 272.436 3.386 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647889329 392826821 /nfs/dbraw/zinc/82/68/21/392826821.db2.gz HXYWCFRNLUMWBX-BPQIPLTHSA-N 2 1 272.436 3.172 20 0 CGADMP Cc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647904135 392828469 /nfs/dbraw/zinc/82/84/69/392828469.db2.gz XKYJDTZFFDLKBA-ROUUACIJSA-N 2 1 272.436 3.002 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000647890822 392829158 /nfs/dbraw/zinc/82/91/58/392829158.db2.gz YZHIJKTUTONOIA-NUJGCVRESA-N 2 1 272.436 3.112 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C[C@H](C)O1 ZINC000512278714 392850543 /nfs/dbraw/zinc/85/05/43/392850543.db2.gz KLIOIHYBUAHFFH-IECFSIQFSA-N 2 1 296.499 3.290 20 0 CGADMP c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CC[NH2+]C2)cc1 ZINC000647989201 392858242 /nfs/dbraw/zinc/85/82/42/392858242.db2.gz WRAYNDFTXIELNU-QBUWPKIASA-N 2 1 284.447 3.082 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000403373294 392959001 /nfs/dbraw/zinc/95/90/01/392959001.db2.gz DBRCMBUPSZECRL-CMKODMSKSA-N 2 1 298.474 3.472 20 0 CGADMP CC(C)OCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178707 392965865 /nfs/dbraw/zinc/96/58/65/392965865.db2.gz QSPQUSNVCMLTNC-ZWKOTPCHSA-N 2 1 290.451 3.227 20 0 CGADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178707 392965873 /nfs/dbraw/zinc/96/58/73/392965873.db2.gz QSPQUSNVCMLTNC-ZWKOTPCHSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccco2)C[C@@H]1c1ccccc1 ZINC000340186720 392966126 /nfs/dbraw/zinc/96/61/26/392966126.db2.gz YMBWNFYZWBJCAD-SJLPKXTDSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccco2)C[C@@H]1c1ccccc1 ZINC000340186720 392966133 /nfs/dbraw/zinc/96/61/33/392966133.db2.gz YMBWNFYZWBJCAD-SJLPKXTDSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccco2)C[C@H]1c1ccccc1 ZINC000340186718 392966600 /nfs/dbraw/zinc/96/66/00/392966600.db2.gz YMBWNFYZWBJCAD-AEFFLSMTSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccco2)C[C@H]1c1ccccc1 ZINC000340186718 392966605 /nfs/dbraw/zinc/96/66/05/392966605.db2.gz YMBWNFYZWBJCAD-AEFFLSMTSA-N 2 1 284.403 3.247 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000648424198 393010052 /nfs/dbraw/zinc/01/00/52/393010052.db2.gz DUNGKIXSAKFQSN-BRWVUGGUSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000648426644 393012733 /nfs/dbraw/zinc/01/27/33/393012733.db2.gz KVDLBIPXLHDGRY-GVDBMIGSSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@@H](CC)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000546932238 393083094 /nfs/dbraw/zinc/08/30/94/393083094.db2.gz TYULPGUGNBPWRX-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000546932238 393083097 /nfs/dbraw/zinc/08/30/97/393083097.db2.gz TYULPGUGNBPWRX-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP CCCC[C@@H](CC)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000546932238 393083101 /nfs/dbraw/zinc/08/31/01/393083101.db2.gz TYULPGUGNBPWRX-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000415006605 393089242 /nfs/dbraw/zinc/08/92/42/393089242.db2.gz KQWUGNKCOONQSD-KBPBESRZSA-N 2 1 254.377 3.179 20 0 CGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415017313 393098474 /nfs/dbraw/zinc/09/84/74/393098474.db2.gz POUWZWZIGGGCOC-OLZOCXBDSA-N 2 1 288.366 3.443 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415035138 393105268 /nfs/dbraw/zinc/10/52/68/393105268.db2.gz DKNKMVYMPSYJEQ-XHSDSOJGSA-N 2 1 252.446 3.133 20 0 CGADMP C1=CC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000245808340 393047128 /nfs/dbraw/zinc/04/71/28/393047128.db2.gz YZDLRESFPMTBSL-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2cccs2)CC[NH2+]1 ZINC000414681731 393052907 /nfs/dbraw/zinc/05/29/07/393052907.db2.gz PUTZNSIKDYZQJY-MCIONIFRSA-N 2 1 264.438 3.273 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414841176 393056410 /nfs/dbraw/zinc/05/64/10/393056410.db2.gz NBAJRVIEKOAKHS-XJKSGUPXSA-N 2 1 266.404 3.110 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000414954698 393062937 /nfs/dbraw/zinc/06/29/37/393062937.db2.gz SXXYLFNNNVJJCA-ONGXEEELSA-N 2 1 290.304 3.075 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414955569 393063283 /nfs/dbraw/zinc/06/32/83/393063283.db2.gz MBRRMEYHARFIKH-GHMZBOCLSA-N 2 1 274.861 3.310 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000246986591 393069043 /nfs/dbraw/zinc/06/90/43/393069043.db2.gz KKBAOVDVSGDLKW-XFJVYGCCSA-N 2 1 278.827 3.400 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000246986591 393069050 /nfs/dbraw/zinc/06/90/50/393069050.db2.gz KKBAOVDVSGDLKW-XFJVYGCCSA-N 2 1 278.827 3.400 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000414977705 393077696 /nfs/dbraw/zinc/07/76/96/393077696.db2.gz KPRKVFTXGCCFLG-OAHLLOKOSA-N 2 1 285.391 3.009 20 0 CGADMP Cc1ccc2cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc2n1 ZINC000415056912 393118145 /nfs/dbraw/zinc/11/81/45/393118145.db2.gz QZRKLTXDZZPXLL-MRXNPFEDSA-N 2 1 271.408 3.006 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000415058278 393119277 /nfs/dbraw/zinc/11/92/77/393119277.db2.gz VFTSHZJGEXQAIR-CYBMUJFWSA-N 2 1 254.805 3.111 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057504 393119910 /nfs/dbraw/zinc/11/99/10/393119910.db2.gz UPPWAJRJPIPEAY-YOEHRIQHSA-N 2 1 284.403 3.397 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000251792174 393120106 /nfs/dbraw/zinc/12/01/06/393120106.db2.gz FYSIVPTYIZPPOJ-LJIZCISZSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000251792174 393120110 /nfs/dbraw/zinc/12/01/10/393120110.db2.gz FYSIVPTYIZPPOJ-LJIZCISZSA-N 2 1 250.430 3.028 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252674041 393125926 /nfs/dbraw/zinc/12/59/26/393125926.db2.gz OAKPDLWGHCTBLU-FJBKBRRZSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH2+]C2CC2)c(OC(F)F)cc1C ZINC000415070504 393127864 /nfs/dbraw/zinc/12/78/64/393127864.db2.gz QOUSTNAELKBBKL-UHFFFAOYSA-N 2 1 298.377 3.137 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1CCCC1 ZINC000415073009 393130526 /nfs/dbraw/zinc/13/05/26/393130526.db2.gz YRXCPXHOAVOVEF-CQSZACIVSA-N 2 1 270.779 3.086 20 0 CGADMP CC(C)([NH3+])C[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000415081424 393133270 /nfs/dbraw/zinc/13/32/70/393133270.db2.gz BUQCNTJLXPMBCC-UHFFFAOYSA-N 2 1 298.430 3.230 20 0 CGADMP c1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415083385 393136117 /nfs/dbraw/zinc/13/61/17/393136117.db2.gz NGXATOPDHLAQSF-MOPGFXCFSA-N 2 1 280.415 3.312 20 0 CGADMP c1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415083388 393136784 /nfs/dbraw/zinc/13/67/84/393136784.db2.gz NGXATOPDHLAQSF-RTBURBONSA-N 2 1 280.415 3.312 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c(C)c1 ZINC000261688022 393140324 /nfs/dbraw/zinc/14/03/24/393140324.db2.gz HHVZFIKIKVJHRH-KRWDZBQOSA-N 2 1 272.436 3.092 20 0 CGADMP [NH3+]CC[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000263038641 393148828 /nfs/dbraw/zinc/14/88/28/393148828.db2.gz SOVFZJMNCSSGDN-UHFFFAOYSA-N 2 1 252.789 3.048 20 0 CGADMP CCCc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415127368 393154079 /nfs/dbraw/zinc/15/40/79/393154079.db2.gz MUUKQKLDFFRNAR-PBHICJAKSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000271954357 393257705 /nfs/dbraw/zinc/25/77/05/393257705.db2.gz FDUWTSPLCJULKB-WSDZMALLSA-N 2 1 272.436 3.179 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC[N@H+]1C ZINC000271954357 393257717 /nfs/dbraw/zinc/25/77/17/393257717.db2.gz FDUWTSPLCJULKB-WSDZMALLSA-N 2 1 272.436 3.179 20 0 CGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCC1CC1 ZINC000469776843 393213295 /nfs/dbraw/zinc/21/32/95/393213295.db2.gz SYUMXWFBCSZEME-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCC1CC1 ZINC000469776843 393213301 /nfs/dbraw/zinc/21/33/01/393213301.db2.gz SYUMXWFBCSZEME-GDBMZVCRSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@H]1CCC[C@H](C[N@H+]2CCCC23CC[NH+](C)CC3)C1 ZINC000475126014 393374096 /nfs/dbraw/zinc/37/40/96/393374096.db2.gz YXUUYAYHKKBSOP-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000475159437 393379572 /nfs/dbraw/zinc/37/95/72/393379572.db2.gz YDUWFZHPLTVWRK-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP COC[C@H](CC(C)C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000480613052 393435977 /nfs/dbraw/zinc/43/59/77/393435977.db2.gz LXEQZNIYVACEBC-IRXDYDNUSA-N 2 1 284.488 3.292 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420294971 393451502 /nfs/dbraw/zinc/45/15/02/393451502.db2.gz BPYDPXBDOIZRNU-RDJZCZTQSA-N 2 1 260.425 3.315 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2ccccc2)cc1 ZINC000420299954 393455450 /nfs/dbraw/zinc/45/54/50/393455450.db2.gz GWIONOPKWUCBEL-YJBOKZPZSA-N 2 1 298.430 3.431 20 0 CGADMP CC[C@H]1CCCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301635 393455827 /nfs/dbraw/zinc/45/58/27/393455827.db2.gz IQZHSQMJOYKWMB-CVEARBPZSA-N 2 1 276.424 3.002 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000420395182 393482859 /nfs/dbraw/zinc/48/28/59/393482859.db2.gz CYNOTRLKHQGETB-ZJUUUORDSA-N 2 1 273.207 3.254 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420315307 393460756 /nfs/dbraw/zinc/46/07/56/393460756.db2.gz LOQORXPPFYKUPP-YJBOKZPZSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313236 393461202 /nfs/dbraw/zinc/46/12/02/393461202.db2.gz XTXGDKPHDMGVDW-MOPGFXCFSA-N 2 1 286.463 3.331 20 0 CGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCF ZINC000420319635 393465155 /nfs/dbraw/zinc/46/51/55/393465155.db2.gz XZDDQOAVZFPJOJ-IRXDYDNUSA-N 2 1 278.415 3.018 20 0 CGADMP Fc1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC000420320031 393465323 /nfs/dbraw/zinc/46/53/23/393465323.db2.gz QCQDNIODOQRBAV-CYBMUJFWSA-N 2 1 294.389 3.319 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000420320451 393466490 /nfs/dbraw/zinc/46/64/90/393466490.db2.gz QFGXTDMWCYOJMS-HNNXBMFYSA-N 2 1 278.415 3.427 20 0 CGADMP CSc1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420324085 393467977 /nfs/dbraw/zinc/46/79/77/393467977.db2.gz YXTGJNBYKZUSRW-CQSZACIVSA-N 2 1 264.438 3.112 20 0 CGADMP c1ccc(SCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420332528 393470072 /nfs/dbraw/zinc/47/00/72/393470072.db2.gz RTZNARIDCZMHGT-JKSUJKDBSA-N 2 1 290.476 3.100 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCSc1ccc(Cl)cc1 ZINC000420356275 393471733 /nfs/dbraw/zinc/47/17/33/393471733.db2.gz FWYDRDYCRFNVQG-CYBMUJFWSA-N 2 1 286.872 3.395 20 0 CGADMP Cc1ccc(C)c(OCCC[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420359714 393472238 /nfs/dbraw/zinc/47/22/38/393472238.db2.gz KEIZAFTWLPLYRQ-MRXNPFEDSA-N 2 1 278.440 3.035 20 0 CGADMP CCC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249183 393412064 /nfs/dbraw/zinc/41/20/64/393412064.db2.gz HTFVTINBWBNCQW-JQHSSLGASA-N 2 1 274.452 3.358 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408057 393484977 /nfs/dbraw/zinc/48/49/77/393484977.db2.gz OWEXPOMGAUQWQJ-IJEWVQPXSA-N 2 1 299.418 3.319 20 0 CGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408057 393484979 /nfs/dbraw/zinc/48/49/79/393484979.db2.gz OWEXPOMGAUQWQJ-IJEWVQPXSA-N 2 1 299.418 3.319 20 0 CGADMP C[C@H]1C[C@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000488357009 393496448 /nfs/dbraw/zinc/49/64/48/393496448.db2.gz OQJNARQTTTUJGN-LPHOPBHVSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488419658 393506005 /nfs/dbraw/zinc/50/60/05/393506005.db2.gz HIEIOKRISUPWRV-KFWWJZLASA-N 2 1 284.513 3.228 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488450477 393520176 /nfs/dbraw/zinc/52/01/76/393520176.db2.gz QHXSBPLEEKCKCT-WBVHZDCISA-N 2 1 272.436 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000359642873 393553375 /nfs/dbraw/zinc/55/33/75/393553375.db2.gz OGCIJJFZGALCOF-NVXWUHKLSA-N 2 1 272.436 3.038 20 0 CGADMP c1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CCCC2 ZINC000430250651 393549161 /nfs/dbraw/zinc/54/91/61/393549161.db2.gz VHFMJXOWDADWQR-GOSISDBHSA-N 2 1 298.474 3.483 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954819 393556582 /nfs/dbraw/zinc/55/65/82/393556582.db2.gz VKPQHMMARSZHJG-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954819 393556586 /nfs/dbraw/zinc/55/65/86/393556586.db2.gz VKPQHMMARSZHJG-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954819 393556592 /nfs/dbraw/zinc/55/65/92/393556592.db2.gz VKPQHMMARSZHJG-STQMWFEESA-N 2 1 278.362 3.135 20 0 CGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420990792 393566128 /nfs/dbraw/zinc/56/61/28/393566128.db2.gz GQUPFESCHLOUIY-HUUCEWRRSA-N 2 1 282.378 3.457 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420990792 393566131 /nfs/dbraw/zinc/56/61/31/393566131.db2.gz GQUPFESCHLOUIY-HUUCEWRRSA-N 2 1 282.378 3.457 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568609 393576868 /nfs/dbraw/zinc/57/68/68/393576868.db2.gz HRGZGBHHYYEOFK-KXBFYZLASA-N 2 1 282.431 3.442 20 0 CGADMP Fc1cc(-c2ccncc2)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856608 542820821 /nfs/dbraw/zinc/82/08/21/542820821.db2.gz TYYCNWDAXCTHNE-QGZVFWFLSA-N 2 1 299.393 3.119 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(C)(C)CC2)CCCO1 ZINC000432367887 393607340 /nfs/dbraw/zinc/60/73/40/393607340.db2.gz NGIQFYGNGFQWNF-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(C)(C)CC2)CCCO1 ZINC000432367887 393607342 /nfs/dbraw/zinc/60/73/42/393607342.db2.gz NGIQFYGNGFQWNF-OAHLLOKOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432450887 393614839 /nfs/dbraw/zinc/61/48/39/393614839.db2.gz YPPCUVVNYWICQG-ULQDDVLXSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](C)[C@H](CC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432450887 393614844 /nfs/dbraw/zinc/61/48/44/393614844.db2.gz YPPCUVVNYWICQG-ULQDDVLXSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H](CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000489976476 393623574 /nfs/dbraw/zinc/62/35/74/393623574.db2.gz GOSMDRSMXUYRES-AEFFLSMTSA-N 2 1 272.436 3.256 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccsc2)C[C@H]1C ZINC000360966172 393626064 /nfs/dbraw/zinc/62/60/64/393626064.db2.gz OAADRTKMSFGLQE-GDBMZVCRSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccsc2)C[C@H]1C ZINC000360966172 393626067 /nfs/dbraw/zinc/62/60/67/393626067.db2.gz OAADRTKMSFGLQE-GDBMZVCRSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C[C@H]1C ZINC000360966172 393626070 /nfs/dbraw/zinc/62/60/70/393626070.db2.gz OAADRTKMSFGLQE-GDBMZVCRSA-N 2 1 280.481 3.485 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ccccc2)C1 ZINC000433079241 393683385 /nfs/dbraw/zinc/68/33/85/393683385.db2.gz YUPOBIWXRWWJQM-ROUUACIJSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433079241 393683388 /nfs/dbraw/zinc/68/33/88/393683388.db2.gz YUPOBIWXRWWJQM-ROUUACIJSA-N 2 1 272.436 3.350 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433079241 393683395 /nfs/dbraw/zinc/68/33/95/393683395.db2.gz YUPOBIWXRWWJQM-ROUUACIJSA-N 2 1 272.436 3.350 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423217447 393654764 /nfs/dbraw/zinc/65/47/64/393654764.db2.gz UFPQJXVECHETTN-MLGOLLRUSA-N 2 1 282.378 3.251 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423300015 393660429 /nfs/dbraw/zinc/66/04/29/393660429.db2.gz QVGGLWXQKKWOPC-KGLIPLIRSA-N 2 1 264.413 3.172 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423324099 393661194 /nfs/dbraw/zinc/66/11/94/393661194.db2.gz HXVONQGMDSJLNB-ZZCKCESHSA-N 2 1 290.451 3.165 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000423515847 393672160 /nfs/dbraw/zinc/67/21/60/393672160.db2.gz XMHWMHGWQBXPMR-KGLIPLIRSA-N 2 1 252.427 3.306 20 0 CGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065546 393741418 /nfs/dbraw/zinc/74/14/18/393741418.db2.gz CDOGSUIZOZVDOL-QWHCGFSZSA-N 2 1 279.428 3.094 20 0 CGADMP Cc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000443497027 393759599 /nfs/dbraw/zinc/75/95/99/393759599.db2.gz CDUGVTPIWXBBBM-STQMWFEESA-N 2 1 287.382 3.211 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000433294868 393708106 /nfs/dbraw/zinc/70/81/06/393708106.db2.gz NPGOESOIFPDMDD-AWEZNQCLSA-N 2 1 252.446 3.133 20 0 CGADMP COCC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000502701141 393882857 /nfs/dbraw/zinc/88/28/57/393882857.db2.gz ZRDSMZAZFPDDBI-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP COCC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000502701141 393882862 /nfs/dbraw/zinc/88/28/62/393882862.db2.gz ZRDSMZAZFPDDBI-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000502697696 393883302 /nfs/dbraw/zinc/88/33/02/393883302.db2.gz PYLPCOBOEZEQSB-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000502700504 393883336 /nfs/dbraw/zinc/88/33/36/393883336.db2.gz WTMVYZVMPIDPLN-XSLAGTTESA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000502907036 393888156 /nfs/dbraw/zinc/88/81/56/393888156.db2.gz KWYONTXMTSPCOX-ROUUACIJSA-N 2 1 296.499 3.247 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2CC)C1 ZINC000501423610 393853264 /nfs/dbraw/zinc/85/32/64/393853264.db2.gz NNMGOZLOTPKOKE-HNNXBMFYSA-N 2 1 290.451 3.079 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000453057276 394155541 /nfs/dbraw/zinc/15/55/41/394155541.db2.gz HUFIOWVQNFFVHO-SOLBZPMBSA-N 2 1 289.467 3.490 20 0 CGADMP CC[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)[NH+]1CCCC1 ZINC000453087806 394167283 /nfs/dbraw/zinc/16/72/83/394167283.db2.gz QEDVTLUIJYZMDU-FUHWJXTLSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228745 394213026 /nfs/dbraw/zinc/21/30/26/394213026.db2.gz BYMUYTSMDIHTQV-SSKCKEOISA-N 2 1 294.389 3.272 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228745 394213028 /nfs/dbraw/zinc/21/30/28/394213028.db2.gz BYMUYTSMDIHTQV-SSKCKEOISA-N 2 1 294.389 3.272 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453239163 394215662 /nfs/dbraw/zinc/21/56/62/394215662.db2.gz SEQNTURVADNJQR-JLZZUVOBSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453239163 394215665 /nfs/dbraw/zinc/21/56/65/394215665.db2.gz SEQNTURVADNJQR-JLZZUVOBSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453604874 394256994 /nfs/dbraw/zinc/25/69/94/394256994.db2.gz SHEGGEUNYNGSDC-NSHDSACASA-N 2 1 269.458 3.119 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000453245145 394217988 /nfs/dbraw/zinc/21/79/88/394217988.db2.gz HYKJMCSEBDWMGK-VNCIIQTRSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000453245145 394217991 /nfs/dbraw/zinc/21/79/91/394217991.db2.gz HYKJMCSEBDWMGK-VNCIIQTRSA-N 2 1 290.426 3.377 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@@H](C)C1 ZINC000453399634 394233403 /nfs/dbraw/zinc/23/34/03/394233403.db2.gz ARVDCZMGQRFYST-HOCLYGCPSA-N 2 1 264.457 3.443 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)CC2 ZINC000453400368 394233621 /nfs/dbraw/zinc/23/36/21/394233621.db2.gz LVHHUZFIEOLKTP-SFHVURJKSA-N 2 1 288.435 3.147 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C3CCC3)CCC2)CC[N@H+]1C ZINC000453411062 394238101 /nfs/dbraw/zinc/23/81/01/394238101.db2.gz XEHGIGANSLTONJ-HIFRSBDPSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccsc1 ZINC000453420138 394241983 /nfs/dbraw/zinc/24/19/83/394241983.db2.gz ZGMISQFICUWIPN-GFCCVEGCSA-N 2 1 252.427 3.273 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453444366 394246419 /nfs/dbraw/zinc/24/64/19/394246419.db2.gz ZFXACXSEGCXCSS-AWEZNQCLSA-N 2 1 276.424 3.220 20 0 CGADMP C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000453640847 394264563 /nfs/dbraw/zinc/26/45/63/394264563.db2.gz XMXOWJPGOGRLMZ-IUODEOHRSA-N 2 1 281.469 3.263 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(COC)cs2)C[C@H]1C ZINC000667664562 542911217 /nfs/dbraw/zinc/91/12/17/542911217.db2.gz NVSXLDYPMPWNGH-UKRRQHHQSA-N 2 1 296.480 3.199 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(COC)cs2)C[C@H]1C ZINC000667664562 542911220 /nfs/dbraw/zinc/91/12/20/542911220.db2.gz NVSXLDYPMPWNGH-UKRRQHHQSA-N 2 1 296.480 3.199 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(COC)cs2)C[C@H]1C ZINC000667664562 542911225 /nfs/dbraw/zinc/91/12/25/542911225.db2.gz NVSXLDYPMPWNGH-UKRRQHHQSA-N 2 1 296.480 3.199 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(COC)cs2)C[C@H]1C ZINC000667664562 542911227 /nfs/dbraw/zinc/91/12/27/542911227.db2.gz NVSXLDYPMPWNGH-UKRRQHHQSA-N 2 1 296.480 3.199 20 0 CGADMP CC[C@@H](C)C[N@@H+](CC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667688567 542916967 /nfs/dbraw/zinc/91/69/67/542916967.db2.gz XBONSUMPEOLIRA-CQSZACIVSA-N 2 1 272.396 3.135 20 0 CGADMP Cc1cccc2[nH]c(CN3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc21 ZINC000668172984 542980929 /nfs/dbraw/zinc/98/09/29/542980929.db2.gz YULPCONRDQVFNS-BEFAXECRSA-N 2 1 297.446 3.392 20 0 CGADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cnc(C)n3C)C2)c1 ZINC000668227494 542993893 /nfs/dbraw/zinc/99/38/93/542993893.db2.gz LSYUXDADTQINBO-WKILWMFISA-N 2 1 299.418 3.115 20 0 CGADMP c1nc2n(c1C[N@H+]1CCCC3(CCCC3)CC1)CCC2 ZINC000668477745 543018662 /nfs/dbraw/zinc/01/86/62/543018662.db2.gz GHJMYEDQHXSTAC-UHFFFAOYSA-N 2 1 273.424 3.376 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000671730460 543182382 /nfs/dbraw/zinc/18/23/82/543182382.db2.gz RJGZQKKQOKYNBM-HOTGVXAUSA-N 2 1 288.435 3.017 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000671730460 543182384 /nfs/dbraw/zinc/18/23/84/543182384.db2.gz RJGZQKKQOKYNBM-HOTGVXAUSA-N 2 1 288.435 3.017 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)Cc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000671755122 543186722 /nfs/dbraw/zinc/18/67/22/543186722.db2.gz OFGSWDMQRRDYMT-CEXWTWQISA-N 2 1 298.474 3.254 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421323606 397701634 /nfs/dbraw/zinc/70/16/34/397701634.db2.gz IOFVSWQGSUQQIU-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)CCC1 ZINC000429431988 292124048 /nfs/dbraw/zinc/12/40/48/292124048.db2.gz NWIIMLQLNFWFNN-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)CCC1 ZINC000429431988 292124050 /nfs/dbraw/zinc/12/40/50/292124050.db2.gz NWIIMLQLNFWFNN-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000650710284 397898310 /nfs/dbraw/zinc/89/83/10/397898310.db2.gz KXIWIGMVTFDRII-ZIAGYGMSSA-N 2 1 292.854 3.301 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ncc(C(C)C)s1 ZINC000650719411 397901929 /nfs/dbraw/zinc/90/19/29/397901929.db2.gz OWKFMBUKWDLPKL-UHFFFAOYSA-N 2 1 289.448 3.276 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724151 397902795 /nfs/dbraw/zinc/90/27/95/397902795.db2.gz ZDIIKQGOSVTTCH-DUQPFJRNSA-N 2 1 294.483 3.174 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(F)c1F ZINC000650755119 397909506 /nfs/dbraw/zinc/90/95/06/397909506.db2.gz ZNFDWABBXVQXJK-JTQLQIEISA-N 2 1 294.320 3.413 20 0 CGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499589 543344978 /nfs/dbraw/zinc/34/49/78/543344978.db2.gz MVISMXKWZZEALR-AWEZNQCLSA-N 2 1 285.366 3.104 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000675732909 543358826 /nfs/dbraw/zinc/35/88/26/543358826.db2.gz NPNQNVCSXZCFNO-FUHWJXTLSA-N 2 1 274.452 3.308 20 0 CGADMP C[C@@]1(F)CC[NH+](CCCCC[N@@H+]2CC[C@@](C)(F)C2)C1 ZINC000347345318 289186533 /nfs/dbraw/zinc/18/65/33/289186533.db2.gz HXYSQYWNQUDUCX-HUUCEWRRSA-N 2 1 274.399 3.025 20 0 CGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239975 543440438 /nfs/dbraw/zinc/44/04/38/543440438.db2.gz BUBZXCNRURAKLR-IRXDYDNUSA-N 2 1 290.426 3.320 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000677241170 543441522 /nfs/dbraw/zinc/44/15/22/543441522.db2.gz MNHZRKXYUGPOJZ-VVLHAWIVSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000677239983 543441677 /nfs/dbraw/zinc/44/16/77/543441677.db2.gz CFRGHJGBNJHAQY-XOKHGSTOSA-N 2 1 276.399 3.146 20 0 CGADMP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422741314 286014653 /nfs/dbraw/zinc/01/46/53/286014653.db2.gz PLTDFRHYYPBPQY-OKZBNKHCSA-N 2 1 282.387 3.109 20 0 CGADMP CCCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000678138484 543488039 /nfs/dbraw/zinc/48/80/39/543488039.db2.gz WHCMFHDTGAVBRZ-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP Clc1ccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678582553 543538069 /nfs/dbraw/zinc/53/80/69/543538069.db2.gz KRUICSIBRYOJBE-IRXDYDNUSA-N 2 1 292.854 3.489 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC[N@H+]1C ZINC000679011269 543582433 /nfs/dbraw/zinc/58/24/33/543582433.db2.gz BVVKFGAGKOENBK-ZBFHGGJFSA-N 2 1 290.451 3.436 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH+](CC)CC)C12CCCC2 ZINC000359022362 286284660 /nfs/dbraw/zinc/28/46/60/286284660.db2.gz XJCPVUGTFLRTMO-ARFHVFGLSA-N 2 1 282.472 3.044 20 0 CGADMP COCC1CCC([NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000449095885 292266048 /nfs/dbraw/zinc/26/60/48/292266048.db2.gz CGYJMNSMOIXSJB-HYLCPLCXSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C4CC4)C[C@@H](C)C3)c2c1 ZINC000450546435 292398195 /nfs/dbraw/zinc/39/81/95/292398195.db2.gz HTHCURSCBHZGRY-OAHLLOKOSA-N 2 1 295.430 3.464 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415073068 286859335 /nfs/dbraw/zinc/85/93/35/286859335.db2.gz YYNYPXFTASOQRI-ZWKOTPCHSA-N 2 1 274.452 3.423 20 0 CGADMP c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446094 287033779 /nfs/dbraw/zinc/03/37/79/287033779.db2.gz VSWUZBFAOLGANN-LJQANCHMSA-N 2 1 280.415 3.298 20 0 CGADMP C[N@H+](CC[NH2+]C1CCC(C)(C)CC1)C1CCCC1 ZINC000079655077 287059564 /nfs/dbraw/zinc/05/95/64/287059564.db2.gz HSORLMAMZHSZEB-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP C[N@@H+](CC[NH2+]C1CCC(C)(C)CC1)C1CCCC1 ZINC000079655077 287059566 /nfs/dbraw/zinc/05/95/66/287059566.db2.gz HSORLMAMZHSZEB-UHFFFAOYSA-N 2 1 252.446 3.419 20 0 CGADMP COCc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000088567951 165194793 /nfs/dbraw/zinc/19/47/93/165194793.db2.gz FUPQHKKAHAVSNU-UHFFFAOYSA-N 2 1 290.451 3.186 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090469147 165236815 /nfs/dbraw/zinc/23/68/15/165236815.db2.gz GLYIVTAEYDYJSC-XYJFISCASA-N 2 1 274.452 3.164 20 0 CGADMP C[N@H+](Cc1coc2ccccc12)C[C@H]1CCC[NH+](C)C1 ZINC000092253498 165286748 /nfs/dbraw/zinc/28/67/48/165286748.db2.gz AINXNXOAYSKWFT-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1coc2ccccc12)C[C@H]1CCC[N@H+](C)C1 ZINC000092253498 165286752 /nfs/dbraw/zinc/28/67/52/165286752.db2.gz AINXNXOAYSKWFT-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH+](Cc1coc2ccccc12)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253498 165286754 /nfs/dbraw/zinc/28/67/54/165286754.db2.gz AINXNXOAYSKWFT-AWEZNQCLSA-N 2 1 272.392 3.206 20 0 CGADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093464314 165328874 /nfs/dbraw/zinc/32/88/74/165328874.db2.gz AZYGUUMKIYQXKT-DYEKYZERSA-N 2 1 280.387 3.016 20 0 CGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873169 165338282 /nfs/dbraw/zinc/33/82/82/165338282.db2.gz NPTKLWMKTHNJMB-NSHDSACASA-N 2 1 286.366 3.266 20 0 CGADMP CCC[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000094266939 165347448 /nfs/dbraw/zinc/34/74/48/165347448.db2.gz OKQMMGPECRBHBD-UHFFFAOYSA-N 2 1 253.777 3.021 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422404 165348720 /nfs/dbraw/zinc/34/87/20/165348720.db2.gz KAHDOHGXOFXVEV-LSDHHAIUSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522095 165351933 /nfs/dbraw/zinc/35/19/33/165351933.db2.gz OWUUQOGHPLSPLT-SUMWQHHRSA-N 2 1 258.409 3.266 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522095 165351936 /nfs/dbraw/zinc/35/19/36/165351936.db2.gz OWUUQOGHPLSPLT-SUMWQHHRSA-N 2 1 258.409 3.266 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094522145 165353875 /nfs/dbraw/zinc/35/38/75/165353875.db2.gz CDYIQCGECJNYSO-QGZVFWFLSA-N 2 1 258.409 3.267 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000093597868 287117500 /nfs/dbraw/zinc/11/75/00/287117500.db2.gz KCAFTRGHSJZGNE-SFHVURJKSA-N 2 1 272.436 3.221 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000093639670 287118188 /nfs/dbraw/zinc/11/81/88/287118188.db2.gz BRGVMNLWLDZNAD-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000093639670 287118191 /nfs/dbraw/zinc/11/81/91/287118191.db2.gz BRGVMNLWLDZNAD-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000093639670 287118192 /nfs/dbraw/zinc/11/81/92/287118192.db2.gz BRGVMNLWLDZNAD-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(C)c2)C1 ZINC000093742169 287118624 /nfs/dbraw/zinc/11/86/24/287118624.db2.gz BPQOZADKYMWTCC-INIZCTEOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(C)c2)C1 ZINC000093742169 287118625 /nfs/dbraw/zinc/11/86/25/287118625.db2.gz BPQOZADKYMWTCC-INIZCTEOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000093742169 287118627 /nfs/dbraw/zinc/11/86/27/287118627.db2.gz BPQOZADKYMWTCC-INIZCTEOSA-N 2 1 278.415 3.298 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000093742169 287118628 /nfs/dbraw/zinc/11/86/28/287118628.db2.gz BPQOZADKYMWTCC-INIZCTEOSA-N 2 1 278.415 3.298 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c1 ZINC000093770492 287119083 /nfs/dbraw/zinc/11/90/83/287119083.db2.gz CSAXMXCFQNKQJL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1 ZINC000093770492 287119085 /nfs/dbraw/zinc/11/90/85/287119085.db2.gz CSAXMXCFQNKQJL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000093770492 287119088 /nfs/dbraw/zinc/11/90/88/287119088.db2.gz CSAXMXCFQNKQJL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c1 ZINC000093770492 287119090 /nfs/dbraw/zinc/11/90/90/287119090.db2.gz CSAXMXCFQNKQJL-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338899 287133353 /nfs/dbraw/zinc/13/33/53/287133353.db2.gz WSDXGWFPJCARBY-SUNKGSAMSA-N 2 1 286.341 3.436 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261564906 287141520 /nfs/dbraw/zinc/14/15/20/287141520.db2.gz DOFWISBGVCADKA-IIYDPXPESA-N 2 1 254.377 3.180 20 0 CGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261564906 287141522 /nfs/dbraw/zinc/14/15/22/287141522.db2.gz DOFWISBGVCADKA-IIYDPXPESA-N 2 1 254.377 3.180 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169634 287142442 /nfs/dbraw/zinc/14/24/42/287142442.db2.gz RQPDGZXEVMJUKI-QWHCGFSZSA-N 2 1 266.816 3.462 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000122567601 287210845 /nfs/dbraw/zinc/21/08/45/287210845.db2.gz UCKDRGMUYFAPAE-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000122809251 287212745 /nfs/dbraw/zinc/21/27/45/287212745.db2.gz JIVZEIFWKFGYKE-GOSISDBHSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000122809251 287212747 /nfs/dbraw/zinc/21/27/47/287212747.db2.gz JIVZEIFWKFGYKE-GOSISDBHSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000123262108 287217553 /nfs/dbraw/zinc/21/75/53/287217553.db2.gz XAYXNDLWNASXHH-HIFRSBDPSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccccc2Cl)CC[N@H+]1C ZINC000123262108 287217555 /nfs/dbraw/zinc/21/75/55/287217555.db2.gz XAYXNDLWNASXHH-HIFRSBDPSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccccc2Cl)CC[NH+]1C ZINC000123262108 287217556 /nfs/dbraw/zinc/21/75/56/287217556.db2.gz XAYXNDLWNASXHH-HIFRSBDPSA-N 2 1 280.843 3.297 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccccc2Cl)CC[NH+]1C ZINC000123262108 287217560 /nfs/dbraw/zinc/21/75/60/287217560.db2.gz XAYXNDLWNASXHH-HIFRSBDPSA-N 2 1 280.843 3.297 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000124238702 287230931 /nfs/dbraw/zinc/23/09/31/287230931.db2.gz OAKJHHFALVKLEB-UHFFFAOYSA-N 2 1 268.832 3.470 20 0 CGADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000125426727 287244535 /nfs/dbraw/zinc/24/45/35/287244535.db2.gz ZHDUPUASLKOVNV-UHFFFAOYSA-N 2 1 271.408 3.494 20 0 CGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000125426727 287244539 /nfs/dbraw/zinc/24/45/39/287244539.db2.gz ZHDUPUASLKOVNV-UHFFFAOYSA-N 2 1 271.408 3.494 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000020121877 171001547 /nfs/dbraw/zinc/00/15/47/171001547.db2.gz POKAESZVAVORQA-LBPRGKRZSA-N 2 1 266.816 3.475 20 0 CGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000126580562 287268226 /nfs/dbraw/zinc/26/82/26/287268226.db2.gz YSHGQDULZRQWHK-HNNXBMFYSA-N 2 1 290.451 3.177 20 0 CGADMP C[N@H+](Cc1ccc2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285400539 196272354 /nfs/dbraw/zinc/27/23/54/196272354.db2.gz FECMOUJBVJKWTF-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285400539 196272355 /nfs/dbraw/zinc/27/23/55/196272355.db2.gz FECMOUJBVJKWTF-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1ccc2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285400539 196272356 /nfs/dbraw/zinc/27/23/56/196272356.db2.gz FECMOUJBVJKWTF-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1ccc2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285400539 196272358 /nfs/dbraw/zinc/27/23/58/196272358.db2.gz FECMOUJBVJKWTF-JWTNVVGKSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](C)CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037213699 173033979 /nfs/dbraw/zinc/03/39/79/173033979.db2.gz CXPIBABJRQDABB-ZDUSSCGKSA-N 2 1 284.856 3.418 20 0 CGADMP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267086 173077311 /nfs/dbraw/zinc/07/73/11/173077311.db2.gz VBVYGEZMSSARNR-CQSZACIVSA-N 2 1 260.425 3.384 20 0 CGADMP CCCC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408419 173184320 /nfs/dbraw/zinc/18/43/20/173184320.db2.gz HFWMDRQEJQCHQX-HWOWSKLDSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+]1CCC([NH2+]C2CC(c3ccc(C)cc3)C2)CC1 ZINC000038098082 174112424 /nfs/dbraw/zinc/11/24/24/174112424.db2.gz YMOWHTGUVMSIMS-UHFFFAOYSA-N 2 1 272.436 3.315 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000127588825 287291520 /nfs/dbraw/zinc/29/15/20/287291520.db2.gz RMIUORDQCOCNNW-UONOGXRCSA-N 2 1 266.404 3.077 20 0 CGADMP C[C@@H](CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000043533994 175063004 /nfs/dbraw/zinc/06/30/04/175063004.db2.gz WWGMKQKKCOVDIA-JKSUJKDBSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000071206774 176080512 /nfs/dbraw/zinc/08/05/12/176080512.db2.gz FGRYLJVRXHUPCE-APWZRJJASA-N 2 1 286.463 3.472 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129234461 287327346 /nfs/dbraw/zinc/32/73/46/287327346.db2.gz VLVFLTVURPKEIW-FRRDWIJNSA-N 2 1 280.378 3.427 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)[C@H]1CC[NH3+] ZINC000404405212 416553452 /nfs/dbraw/zinc/55/34/52/416553452.db2.gz UIUWVKIRALLXAF-KDOFPFPSSA-N 2 1 283.419 3.184 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)[C@@H]1CC[NH3+] ZINC000404445191 416555061 /nfs/dbraw/zinc/55/50/61/416555061.db2.gz WYERGOMJTXWUJF-WMLDXEAASA-N 2 1 299.418 3.291 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)[C@@H]1CC[NH3+] ZINC000404445191 416555066 /nfs/dbraw/zinc/55/50/66/416555066.db2.gz WYERGOMJTXWUJF-WMLDXEAASA-N 2 1 299.418 3.291 20 0 CGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000085098380 416495495 /nfs/dbraw/zinc/49/54/95/416495495.db2.gz MCEMWPAKSYOCDX-DVOMOZLQSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CC[C@@H]1[NH3+] ZINC000122401707 416503422 /nfs/dbraw/zinc/50/34/22/416503422.db2.gz DBRZLOWNGJDLAF-GUYCJALGSA-N 2 1 258.409 3.123 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000130338778 287352502 /nfs/dbraw/zinc/35/25/02/287352502.db2.gz LMXTVDBJPMOCJS-CGTJXYLNSA-N 2 1 272.436 3.142 20 0 CGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000130565628 287358276 /nfs/dbraw/zinc/35/82/76/287358276.db2.gz MYZMTCYFGJCUMC-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078244 543823878 /nfs/dbraw/zinc/82/38/78/543823878.db2.gz WELSQXJKFDZYBL-NXHRZFHOSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078244 543823880 /nfs/dbraw/zinc/82/38/80/543823880.db2.gz WELSQXJKFDZYBL-NXHRZFHOSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078244 543823883 /nfs/dbraw/zinc/82/38/83/543823883.db2.gz WELSQXJKFDZYBL-NXHRZFHOSA-N 2 1 270.420 3.090 20 0 CGADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000682404378 543841485 /nfs/dbraw/zinc/84/14/85/543841485.db2.gz DFATXYOVZZMUCD-INIZCTEOSA-N 2 1 297.402 3.030 20 0 CGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000682404378 543841488 /nfs/dbraw/zinc/84/14/88/543841488.db2.gz DFATXYOVZZMUCD-INIZCTEOSA-N 2 1 297.402 3.030 20 0 CGADMP C(CC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682997119 543885822 /nfs/dbraw/zinc/88/58/22/543885822.db2.gz GISYWOOWVUCAPF-SFHVURJKSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C)n1 ZINC000682916768 543878015 /nfs/dbraw/zinc/87/80/15/543878015.db2.gz SJPCQRBOKDIYPI-HNNXBMFYSA-N 2 1 289.467 3.471 20 0 CGADMP C[N@H+]1CCCC12CC[NH+]([C@H]1CCc3ccccc31)CC2 ZINC000683786001 543941982 /nfs/dbraw/zinc/94/19/82/543941982.db2.gz USKNTUPMBQGVHQ-KRWDZBQOSA-N 2 1 270.420 3.234 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683926694 543954313 /nfs/dbraw/zinc/95/43/13/543954313.db2.gz FASTVXXGLFOONQ-OAHLLOKOSA-N 2 1 285.435 3.378 20 0 CGADMP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]c3c(O)cccc23)C1 ZINC000684574742 544014795 /nfs/dbraw/zinc/01/47/95/544014795.db2.gz AVFTUHGSJGWVON-CQSZACIVSA-N 2 1 299.418 3.330 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000685658063 544093229 /nfs/dbraw/zinc/09/32/29/544093229.db2.gz GSTDDVVHQSQNPH-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000685658063 544093230 /nfs/dbraw/zinc/09/32/30/544093230.db2.gz GSTDDVVHQSQNPH-ZIAGYGMSSA-N 2 1 272.502 3.228 20 0 CGADMP C[C@@H](O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000354851777 227168248 /nfs/dbraw/zinc/16/82/48/227168248.db2.gz IWCIOBCGEDFMEX-DLBZAZTESA-N 2 1 296.499 3.124 20 0 CGADMP CC[N@@H+](CCCN[C@@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000650741306 418936265 /nfs/dbraw/zinc/93/62/65/418936265.db2.gz APQVHZDSPKYSJN-SJLPKXTDSA-N 2 1 295.515 3.138 20 0 CGADMP CC[N@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000650741306 418936269 /nfs/dbraw/zinc/93/62/69/418936269.db2.gz APQVHZDSPKYSJN-SJLPKXTDSA-N 3 1 295.515 3.138 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000650741306 418936273 /nfs/dbraw/zinc/93/62/73/418936273.db2.gz APQVHZDSPKYSJN-SJLPKXTDSA-N 3 1 295.515 3.138 20 0 CGADMP CC[N@H+](CCC[NH2+][C@H](C)c1cnn(C)c1)C1CCCCC1 ZINC000652237590 418940374 /nfs/dbraw/zinc/94/03/74/418940374.db2.gz UMNGCIUXRKJCEC-OAHLLOKOSA-N 2 1 292.471 3.115 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1cnn(C)c1)C1CCCCC1 ZINC000652237590 418940375 /nfs/dbraw/zinc/94/03/75/418940375.db2.gz UMNGCIUXRKJCEC-OAHLLOKOSA-N 2 1 292.471 3.115 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362648 418957488 /nfs/dbraw/zinc/95/74/88/418957488.db2.gz MFVSXMUUWZGKDO-BZUAXINKSA-N 2 1 282.472 3.174 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000653279888 419022679 /nfs/dbraw/zinc/02/26/79/419022679.db2.gz HSRGILVPJCYHNH-RISCZKNCSA-N 2 1 286.341 3.325 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000653279887 419022760 /nfs/dbraw/zinc/02/27/60/419022760.db2.gz HSRGILVPJCYHNH-FZMZJTMJSA-N 2 1 286.341 3.325 20 0 CGADMP CCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000655755333 419087931 /nfs/dbraw/zinc/08/79/31/419087931.db2.gz YPIXLWVOVZBOOU-QGZVFWFLSA-N 2 1 294.483 3.190 20 0 CGADMP FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000665241728 419088634 /nfs/dbraw/zinc/08/86/34/419088634.db2.gz XCBGFSBTEPZPMX-ZNMIVQPWSA-N 2 1 298.352 3.293 20 0 CGADMP CC(C)C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccn1 ZINC000665247535 419089939 /nfs/dbraw/zinc/08/99/39/419089939.db2.gz DTJMOPIBAGXXJY-HNNXBMFYSA-N 2 1 261.413 3.030 20 0 CGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1([NH3+])CCCC1)CCCO2 ZINC000665248181 419091066 /nfs/dbraw/zinc/09/10/66/419091066.db2.gz QZWQTZCNFPFAAJ-MRXNPFEDSA-N 2 1 288.435 3.378 20 0 CGADMP CC(C)(C)C(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655770404 419092036 /nfs/dbraw/zinc/09/20/36/419092036.db2.gz JPSIMEXXLXHCFT-INIZCTEOSA-N 2 1 296.499 3.292 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCC1)CCCO2 ZINC000665248741 419092035 /nfs/dbraw/zinc/09/20/35/419092035.db2.gz BODJEJSRSXGCNP-HNNXBMFYSA-N 2 1 274.408 3.070 20 0 CGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000665250688 419092852 /nfs/dbraw/zinc/09/28/52/419092852.db2.gz ZNQMVTDZJVGILC-IAGOWNOFSA-N 2 1 258.409 3.054 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250469 419092909 /nfs/dbraw/zinc/09/29/09/419092909.db2.gz RZCVNNNOKPKEPA-XJNFMUPTSA-N 2 1 260.425 3.156 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000665252570 419094367 /nfs/dbraw/zinc/09/43/67/419094367.db2.gz SVOMOGHQEFQIID-ZCTGUTNYSA-N 2 1 294.389 3.189 20 0 CGADMP c1csc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCCC2)c1 ZINC000665277997 419099577 /nfs/dbraw/zinc/09/95/77/419099577.db2.gz RTZQYOHFANEFAX-DSSZZKGTSA-N 2 1 276.449 3.321 20 0 CGADMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc2ccccc21 ZINC000665277306 419099870 /nfs/dbraw/zinc/09/98/70/419099870.db2.gz YTNCFHFNTPLELO-VNSJNIRKSA-N 2 1 266.388 3.242 20 0 CGADMP Cc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCC2)cc1 ZINC000665279002 419100654 /nfs/dbraw/zinc/10/06/54/419100654.db2.gz UKEMVRLUIYUBAG-ZCDVPAHGSA-N 2 1 270.420 3.178 20 0 CGADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000665281192 419103362 /nfs/dbraw/zinc/10/33/62/419103362.db2.gz WSHSTACJCXVZEJ-NWDGAFQWSA-N 2 1 281.469 3.046 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665283735 419105049 /nfs/dbraw/zinc/10/50/49/419105049.db2.gz UBGIPOQRSIYYNS-JQFCIGGWSA-N 2 1 258.409 3.103 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000665298712 419110779 /nfs/dbraw/zinc/11/07/79/419110779.db2.gz ZZLVKDKODVHYDH-NEPJUHHUSA-N 2 1 288.357 3.224 20 0 CGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CC2 ZINC000655710489 419073070 /nfs/dbraw/zinc/07/30/70/419073070.db2.gz BYRSLXATQUPOKF-NVXWUHKLSA-N 2 1 272.436 3.222 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000655715566 419073832 /nfs/dbraw/zinc/07/38/32/419073832.db2.gz LHKNZJRQEUGSHV-UAGQMJEPSA-N 2 1 272.436 3.363 20 0 CGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000655715566 419073837 /nfs/dbraw/zinc/07/38/37/419073837.db2.gz LHKNZJRQEUGSHV-UAGQMJEPSA-N 2 1 272.436 3.363 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2cc(C(C)C)ccc2OC)CC[C@H]1[NH3+] ZINC000655938736 419129376 /nfs/dbraw/zinc/12/93/76/419129376.db2.gz DQSZKLNMSQCTGR-RHSMWYFYSA-N 2 1 290.451 3.378 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2OC)CC[C@H]1[NH3+] ZINC000655938736 419129380 /nfs/dbraw/zinc/12/93/80/419129380.db2.gz DQSZKLNMSQCTGR-RHSMWYFYSA-N 2 1 290.451 3.378 20 0 CGADMP Cc1ccccc1CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660121 419176440 /nfs/dbraw/zinc/17/64/40/419176440.db2.gz ULJHUYGROIRDNU-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccccc1CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660121 419176443 /nfs/dbraw/zinc/17/64/43/419176443.db2.gz ULJHUYGROIRDNU-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP Cc1ccccc1CCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660121 419176446 /nfs/dbraw/zinc/17/64/46/419176446.db2.gz ULJHUYGROIRDNU-IBGZPJMESA-N 2 1 286.463 3.345 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCCCCC1)C2 ZINC000660660806 419177068 /nfs/dbraw/zinc/17/70/68/419177068.db2.gz AVCMZPDBNAXAOI-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@@H](NCc1cnc2n1CCC2)c1ccc(Cl)s1 ZINC000657300079 419245611 /nfs/dbraw/zinc/24/56/11/419245611.db2.gz HOYMZJYFUUSLLT-SECBINFHSA-N 2 1 281.812 3.395 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657315719 419248187 /nfs/dbraw/zinc/24/81/87/419248187.db2.gz RRPNEYZKBAFPNB-OOHWJJMZSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CO1 ZINC000657384542 419265975 /nfs/dbraw/zinc/26/59/75/419265975.db2.gz UFWSQSXUCIGABL-RYQLBKOJSA-N 2 1 290.451 3.054 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000656691282 419202479 /nfs/dbraw/zinc/20/24/79/419202479.db2.gz PRJHFYJDHUDDPB-MSOLQXFVSA-N 2 1 292.467 3.065 20 0 CGADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000656691282 419202482 /nfs/dbraw/zinc/20/24/82/419202482.db2.gz PRJHFYJDHUDDPB-MSOLQXFVSA-N 2 1 292.467 3.065 20 0 CGADMP CCOc1ccccc1CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657524726 419297441 /nfs/dbraw/zinc/29/74/41/419297441.db2.gz QHGMOLUQEFXIQD-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP CCOc1ccccc1CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC000657524726 419297442 /nfs/dbraw/zinc/29/74/42/419297442.db2.gz QHGMOLUQEFXIQD-OAHLLOKOSA-N 2 1 276.424 3.048 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000661519261 419269881 /nfs/dbraw/zinc/26/98/81/419269881.db2.gz LKTFVKQFPLQTOC-KBXCAEBGSA-N 2 1 283.419 3.290 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000193138192 228122177 /nfs/dbraw/zinc/12/21/77/228122177.db2.gz FZJVCXFFMCSMTO-DZGCQCFKSA-N 2 1 263.429 3.386 20 0 CGADMP CC1(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000657677919 419327115 /nfs/dbraw/zinc/32/71/15/419327115.db2.gz JTRLDFLGZLCJEE-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000657677919 419327117 /nfs/dbraw/zinc/32/71/17/419327117.db2.gz JTRLDFLGZLCJEE-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000657678036 419327241 /nfs/dbraw/zinc/32/72/41/419327241.db2.gz LQDISOFJCHSXKK-KFWWJZLASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000657678036 419327242 /nfs/dbraw/zinc/32/72/42/419327242.db2.gz LQDISOFJCHSXKK-KFWWJZLASA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)[C@@H]1CCC[NH3+] ZINC000662311761 419390582 /nfs/dbraw/zinc/39/05/82/419390582.db2.gz DUMOEQFWKUDUEZ-NQNKBUKLSA-N 2 1 264.457 3.262 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000657880022 419402147 /nfs/dbraw/zinc/40/21/47/419402147.db2.gz KIAPDALGCNLUHU-RBSFLKMASA-N 2 1 270.486 3.125 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCSc1cccc(Cl)c1 ZINC000662266367 419374838 /nfs/dbraw/zinc/37/48/38/419374838.db2.gz WUGFHYFHYCYQJY-NWDGAFQWSA-N 2 1 284.856 3.101 20 0 CGADMP CCOC1CCC([NH2+]C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC000657833109 419379146 /nfs/dbraw/zinc/37/91/46/419379146.db2.gz MUQWBXVWYTUINB-OFLPRAFFSA-N 2 1 284.488 3.290 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H]4CC[NH2+][C@H]4C3)C2)cc1 ZINC000662276502 419382042 /nfs/dbraw/zinc/38/20/42/419382042.db2.gz NNJQNMLECLPVHF-OWYHZJEWSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@H]4CC[NH2+][C@H]4C3)C2)cc1 ZINC000662276502 419382047 /nfs/dbraw/zinc/38/20/47/419382047.db2.gz NNJQNMLECLPVHF-OWYHZJEWSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(CF)(CF)C1 ZINC000657838303 419382385 /nfs/dbraw/zinc/38/23/85/419382385.db2.gz QRMUEHJLVZWAMP-AWEZNQCLSA-N 2 1 288.426 3.318 20 0 CGADMP Clc1cccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662272988 419382376 /nfs/dbraw/zinc/38/23/76/419382376.db2.gz JEFUOEXTVJVRAX-WFASDCNBSA-N 2 1 296.867 3.116 20 0 CGADMP Clc1cccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662272988 419382380 /nfs/dbraw/zinc/38/23/80/419382380.db2.gz JEFUOEXTVJVRAX-WFASDCNBSA-N 2 1 296.867 3.116 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657840824 419383613 /nfs/dbraw/zinc/38/36/13/419383613.db2.gz KUPSSDLYYIIZHH-NEPJUHHUSA-N 2 1 283.366 3.012 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662295721 419385755 /nfs/dbraw/zinc/38/57/55/419385755.db2.gz WQILUUVDATVXAT-QGZVFWFLSA-N 2 1 292.492 3.392 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000657999658 419483886 /nfs/dbraw/zinc/48/38/86/419483886.db2.gz XPKASRHJGVHPPT-ROUUACIJSA-N 2 1 284.447 3.431 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663345666 419568055 /nfs/dbraw/zinc/56/80/55/419568055.db2.gz NASSBOCGHMOYPI-HNNXBMFYSA-N 2 1 276.424 3.054 20 0 CGADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663345666 419568060 /nfs/dbraw/zinc/56/80/60/419568060.db2.gz NASSBOCGHMOYPI-HNNXBMFYSA-N 2 1 276.424 3.054 20 0 CGADMP c1cc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)ccc2[nH]1 ZINC000663343675 419568245 /nfs/dbraw/zinc/56/82/45/419568245.db2.gz AVOFIKLHNPUDTN-KRWDZBQOSA-N 2 1 297.446 3.380 20 0 CGADMP CC(C)CCC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344642 419566797 /nfs/dbraw/zinc/56/67/97/419566797.db2.gz DGHKHDPMPWCHDX-INIZCTEOSA-N 2 1 252.446 3.134 20 0 CGADMP COc1cccc2c1ncc(C)c2N[C@H]1CC[N@H+](C2CC2)C1 ZINC000663425400 419600959 /nfs/dbraw/zinc/60/09/59/419600959.db2.gz PXSHKCWXICZOSQ-ZDUSSCGKSA-N 2 1 297.402 3.200 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663466247 419618030 /nfs/dbraw/zinc/61/80/30/419618030.db2.gz PXIHHCFJUUHLDB-NVXWUHKLSA-N 2 1 287.451 3.163 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000658227298 419684316 /nfs/dbraw/zinc/68/43/16/419684316.db2.gz UJXRIOOZNNFBAD-QGZVFWFLSA-N 2 1 284.447 3.150 20 0 CGADMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000658227298 419684320 /nfs/dbraw/zinc/68/43/20/419684320.db2.gz UJXRIOOZNNFBAD-QGZVFWFLSA-N 2 1 284.447 3.150 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000658228184 419686771 /nfs/dbraw/zinc/68/67/71/419686771.db2.gz GYWSDTLTCDYRID-ZBFHGGJFSA-N 2 1 250.430 3.172 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000658228184 419686781 /nfs/dbraw/zinc/68/67/81/419686781.db2.gz GYWSDTLTCDYRID-ZBFHGGJFSA-N 2 1 250.430 3.172 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000658229362 419689204 /nfs/dbraw/zinc/68/92/04/419689204.db2.gz QYKISKHMRFYGRT-CVEARBPZSA-N 2 1 294.483 3.331 20 0 CGADMP COC1(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000658229362 419689210 /nfs/dbraw/zinc/68/92/10/419689210.db2.gz QYKISKHMRFYGRT-CVEARBPZSA-N 2 1 294.483 3.331 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658256810 419712501 /nfs/dbraw/zinc/71/25/01/419712501.db2.gz ZMZLZWUVTHOKQQ-HOTGVXAUSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@H]([NH2+]CCc1ccoc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658202414 419655127 /nfs/dbraw/zinc/65/51/27/419655127.db2.gz TYYJPEHZOZYYLE-LPHOPBHVSA-N 2 1 298.430 3.322 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H]2CCC[C@@H]21 ZINC000658264243 419718826 /nfs/dbraw/zinc/71/88/26/419718826.db2.gz DRVSCQTXFVDTGT-KEYQJZJPSA-N 2 1 298.421 3.417 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC1CCCCC1 ZINC000179394548 260045759 /nfs/dbraw/zinc/04/57/59/260045759.db2.gz QETJHMWXVJXICW-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC1CCCCC1 ZINC000179394548 260045761 /nfs/dbraw/zinc/04/57/61/260045761.db2.gz QETJHMWXVJXICW-UHFFFAOYSA-N 2 1 263.429 3.484 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(Cl)c(C)c2)C1 ZINC000180448971 260102369 /nfs/dbraw/zinc/10/23/69/260102369.db2.gz YUSWRPCCKSQZGO-OAHLLOKOSA-N 2 1 280.843 3.422 20 0 CGADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000390835989 262349980 /nfs/dbraw/zinc/34/99/80/262349980.db2.gz IQGYGKPAELAWID-NIOBXDJOSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000037292646 270029173 /nfs/dbraw/zinc/02/91/73/270029173.db2.gz SSZUZROOOBZWFU-CWRNSKLLSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000037292646 270029174 /nfs/dbraw/zinc/02/91/74/270029174.db2.gz SSZUZROOOBZWFU-CWRNSKLLSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000044534101 270036152 /nfs/dbraw/zinc/03/61/52/270036152.db2.gz GRKNFSAQTWKHHY-UONOGXRCSA-N 2 1 272.392 3.425 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000044534101 270036154 /nfs/dbraw/zinc/03/61/54/270036154.db2.gz GRKNFSAQTWKHHY-UONOGXRCSA-N 2 1 272.392 3.425 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535595 270036235 /nfs/dbraw/zinc/03/62/35/270036235.db2.gz VENNCFXHOZABQN-GDBMZVCRSA-N 2 1 260.425 3.241 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000044534630 270036504 /nfs/dbraw/zinc/03/65/04/270036504.db2.gz ADBPFJUGUNAKMW-STQMWFEESA-N 2 1 298.377 3.280 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)F ZINC000044534630 270036505 /nfs/dbraw/zinc/03/65/05/270036505.db2.gz ADBPFJUGUNAKMW-STQMWFEESA-N 2 1 298.377 3.280 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000184288995 270058063 /nfs/dbraw/zinc/05/80/63/270058063.db2.gz SBSZRALWLCDIHI-JKSUJKDBSA-N 2 1 275.440 3.163 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218965842 270085677 /nfs/dbraw/zinc/08/56/77/270085677.db2.gz AIRCTXPSIXKWPM-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218965842 270085678 /nfs/dbraw/zinc/08/56/78/270085678.db2.gz AIRCTXPSIXKWPM-OLZOCXBDSA-N 2 1 280.378 3.429 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224118549 270086790 /nfs/dbraw/zinc/08/67/90/270086790.db2.gz RCPSCRBXYDBLCA-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224118549 270086791 /nfs/dbraw/zinc/08/67/91/270086791.db2.gz RCPSCRBXYDBLCA-BARDWOONSA-N 2 1 252.446 3.274 20 0 CGADMP CCCC1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000227375518 270087112 /nfs/dbraw/zinc/08/71/12/270087112.db2.gz LGTQCPPIZGIQKA-LBDPXKHJSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000227375518 270087113 /nfs/dbraw/zinc/08/71/13/270087113.db2.gz LGTQCPPIZGIQKA-LBDPXKHJSA-N 2 1 252.446 3.418 20 0 CGADMP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228096944 270087485 /nfs/dbraw/zinc/08/74/85/270087485.db2.gz RYGFTYBLVMCOKP-CVEARBPZSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000519797102 270097948 /nfs/dbraw/zinc/09/79/48/270097948.db2.gz ZXRVOXCBVUMUSU-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000519797102 270097949 /nfs/dbraw/zinc/09/79/49/270097949.db2.gz ZXRVOXCBVUMUSU-XWTMOSNGSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@@H](CNc1cc[nH+]c2ccccc12)[N@H+]1CCC[C@@H](C)C1 ZINC000521090908 270100408 /nfs/dbraw/zinc/10/04/08/270100408.db2.gz ZTTLHDPYVCYUIJ-CABCVRRESA-N 2 1 283.419 3.189 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000521423088 270101693 /nfs/dbraw/zinc/10/16/93/270101693.db2.gz FRBMJYHXMSUUTB-CQSZACIVSA-N 2 1 256.340 3.005 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527855915 270139816 /nfs/dbraw/zinc/13/98/16/270139816.db2.gz XBDKFFDBNUHQTK-KFWWJZLASA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527855915 270139817 /nfs/dbraw/zinc/13/98/17/270139817.db2.gz XBDKFFDBNUHQTK-KFWWJZLASA-N 2 1 264.457 3.275 20 0 CGADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000527854170 270140024 /nfs/dbraw/zinc/14/00/24/270140024.db2.gz VMGCCEFJROKFJL-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP C/C(Cl)=C/C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000528386518 270163234 /nfs/dbraw/zinc/16/32/34/270163234.db2.gz IPMWDBNYZGHSHD-ZDWRTJATSA-N 2 1 279.815 3.266 20 0 CGADMP C/C(Cl)=C/C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000528386518 270163235 /nfs/dbraw/zinc/16/32/35/270163235.db2.gz IPMWDBNYZGHSHD-ZDWRTJATSA-N 2 1 279.815 3.266 20 0 CGADMP CC1(C)CC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000528427414 270164960 /nfs/dbraw/zinc/16/49/60/270164960.db2.gz YSZQASORLABZGQ-RDJZCZTQSA-N 2 1 276.468 3.371 20 0 CGADMP CC1(C)CC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000528427414 270164961 /nfs/dbraw/zinc/16/49/61/270164961.db2.gz YSZQASORLABZGQ-RDJZCZTQSA-N 2 1 276.468 3.371 20 0 CGADMP CC1(C)CC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000528427414 270164962 /nfs/dbraw/zinc/16/49/62/270164962.db2.gz YSZQASORLABZGQ-RDJZCZTQSA-N 2 1 276.468 3.371 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568543 270185313 /nfs/dbraw/zinc/18/53/13/270185313.db2.gz BEBVYMZBJPIWRZ-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568543 270185314 /nfs/dbraw/zinc/18/53/14/270185314.db2.gz BEBVYMZBJPIWRZ-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568543 270185315 /nfs/dbraw/zinc/18/53/15/270185315.db2.gz BEBVYMZBJPIWRZ-WMZOPIPTSA-N 2 1 283.419 3.084 20 0 CGADMP Cc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C2CCC2)cc1 ZINC000530354856 270199307 /nfs/dbraw/zinc/19/93/07/270199307.db2.gz SNWJPHQRTFMARV-GOSISDBHSA-N 2 1 283.419 3.402 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)c1 ZINC000532522939 270216956 /nfs/dbraw/zinc/21/69/56/270216956.db2.gz IBWKTZGRLNBOOL-LZQZEXGQSA-N 2 1 286.463 3.388 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)c1 ZINC000532522939 270216957 /nfs/dbraw/zinc/21/69/57/270216957.db2.gz IBWKTZGRLNBOOL-LZQZEXGQSA-N 2 1 286.463 3.388 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000156576241 274137758 /nfs/dbraw/zinc/13/77/58/274137758.db2.gz SORGABBTIRHDGD-JCKWVBRZSA-N 2 1 288.435 3.145 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000156576241 274137759 /nfs/dbraw/zinc/13/77/59/274137759.db2.gz SORGABBTIRHDGD-JCKWVBRZSA-N 2 1 288.435 3.145 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340389928 274382430 /nfs/dbraw/zinc/38/24/30/274382430.db2.gz HSNXPJVTIJQGFT-MXASKKJJSA-N 2 1 290.476 3.163 20 0 CGADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340389928 274382431 /nfs/dbraw/zinc/38/24/31/274382431.db2.gz HSNXPJVTIJQGFT-MXASKKJJSA-N 2 1 290.476 3.163 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[N@@H+]1C ZINC000297195816 274393073 /nfs/dbraw/zinc/39/30/73/274393073.db2.gz FRZMEGDAQSANGC-BTJLNZGRSA-N 2 1 294.389 3.415 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[N@H+]1C ZINC000297195816 274393074 /nfs/dbraw/zinc/39/30/74/274393074.db2.gz FRZMEGDAQSANGC-BTJLNZGRSA-N 2 1 294.389 3.415 20 0 CGADMP Oc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000236596172 275061100 /nfs/dbraw/zinc/06/11/00/275061100.db2.gz KPEFKFJXHSQQOG-SFHVURJKSA-N 2 1 288.435 3.235 20 0 CGADMP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250669394 275396000 /nfs/dbraw/zinc/39/60/00/275396000.db2.gz TXAIMYCMZNLLMV-BMFZPTHFSA-N 2 1 262.441 3.029 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422717024 275663606 /nfs/dbraw/zinc/66/36/06/275663606.db2.gz NZWKCNPEQDNUSQ-HZPDHXFCSA-N 2 1 276.424 3.223 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1scnc1C ZINC000344817959 276105638 /nfs/dbraw/zinc/10/56/38/276105638.db2.gz KSEBLIYJMISEOC-LSDHHAIUSA-N 2 1 295.496 3.442 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350073 276109499 /nfs/dbraw/zinc/10/94/99/276109499.db2.gz IKTSAWUYINKZFR-OAHLLOKOSA-N 2 1 288.426 3.476 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000037977217 276151552 /nfs/dbraw/zinc/15/15/52/276151552.db2.gz PJOZBPVWDOJYQC-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP CC1CCC([N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC000226436562 276190013 /nfs/dbraw/zinc/19/00/13/276190013.db2.gz BJFJSTPNLWYNNA-SLTAFYQDSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC23CCC(CC2)C3)C1 ZINC000347740916 276247914 /nfs/dbraw/zinc/24/79/14/276247914.db2.gz VLYCHIYDHHIHEA-CGZBRXJRSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000347740916 276247916 /nfs/dbraw/zinc/24/79/16/276247916.db2.gz VLYCHIYDHHIHEA-CGZBRXJRSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000347740916 276247917 /nfs/dbraw/zinc/24/79/17/276247917.db2.gz VLYCHIYDHHIHEA-CGZBRXJRSA-N 2 1 264.457 3.230 20 0 CGADMP CCO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423086586 276358739 /nfs/dbraw/zinc/35/87/39/276358739.db2.gz MGLHYJMHVVKZAI-CEXWTWQISA-N 2 1 296.414 3.499 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000245725480 276463003 /nfs/dbraw/zinc/46/30/03/276463003.db2.gz PJNRJOXJIRJAKD-NUEKZKHPSA-N 2 1 263.429 3.386 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000338189913 276833874 /nfs/dbraw/zinc/83/38/74/276833874.db2.gz PLPTWBYHSQMQEK-HWWQOWPSSA-N 2 1 294.389 3.415 20 0 CGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nccs2)C1 ZINC000351646092 277046087 /nfs/dbraw/zinc/04/60/87/277046087.db2.gz ORNDORIYWPZFGQ-CABCVRRESA-N 2 1 293.480 3.197 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nccs2)C1 ZINC000351646092 277046088 /nfs/dbraw/zinc/04/60/88/277046088.db2.gz ORNDORIYWPZFGQ-CABCVRRESA-N 2 1 293.480 3.197 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000351646092 277046089 /nfs/dbraw/zinc/04/60/89/277046089.db2.gz ORNDORIYWPZFGQ-CABCVRRESA-N 2 1 293.480 3.197 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000351646092 277046090 /nfs/dbraw/zinc/04/60/90/277046090.db2.gz ORNDORIYWPZFGQ-CABCVRRESA-N 2 1 293.480 3.197 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSC3CCCCC3)CC[C@@H]21 ZINC000500118947 277068299 /nfs/dbraw/zinc/06/82/99/277068299.db2.gz UGXJIRNTQBBNSK-WBVHZDCISA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSC3CCCCC3)CC[C@@H]21 ZINC000500118947 277068300 /nfs/dbraw/zinc/06/83/00/277068300.db2.gz UGXJIRNTQBBNSK-WBVHZDCISA-N 2 1 296.524 3.468 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSC3CCCCC3)CC[C@@H]21 ZINC000500118947 277068301 /nfs/dbraw/zinc/06/83/01/277068301.db2.gz UGXJIRNTQBBNSK-WBVHZDCISA-N 2 1 296.524 3.468 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000414192742 277073320 /nfs/dbraw/zinc/07/33/20/277073320.db2.gz SYAJHZKWKOJLJB-UKRRQHHQSA-N 2 1 278.465 3.447 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCCC2)[C@H]2CCC[C@H]21 ZINC000513698297 277170521 /nfs/dbraw/zinc/17/05/21/277170521.db2.gz YWOMYCVSAQOTBQ-IXDOHACOSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C[C@@H]1c1ccccc1 ZINC000340266314 277173226 /nfs/dbraw/zinc/17/32/26/277173226.db2.gz XEMLEACVUHYIIT-GVDBMIGSSA-N 2 1 290.476 3.307 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C[C@@H]1c1ccccc1 ZINC000340266314 277173227 /nfs/dbraw/zinc/17/32/27/277173227.db2.gz XEMLEACVUHYIIT-GVDBMIGSSA-N 2 1 290.476 3.307 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000487532934 277397048 /nfs/dbraw/zinc/39/70/48/277397048.db2.gz FWASDUJAWYITBT-XHSDSOJGSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@H](CC1CCCCC1)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194535143 278166660 /nfs/dbraw/zinc/16/66/60/278166660.db2.gz XVOHAMRGHUUIIG-OIISXLGYSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H](CC1CCCCC1)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194535143 278166662 /nfs/dbraw/zinc/16/66/62/278166662.db2.gz XVOHAMRGHUUIIG-OIISXLGYSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@H](CC1CCCCC1)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194535143 278166663 /nfs/dbraw/zinc/16/66/63/278166663.db2.gz XVOHAMRGHUUIIG-OIISXLGYSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000397306099 288022951 /nfs/dbraw/zinc/02/29/51/288022951.db2.gz MSCJYZBICYBMGT-GMTAPVOTSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000397306099 288022953 /nfs/dbraw/zinc/02/29/53/288022953.db2.gz MSCJYZBICYBMGT-GMTAPVOTSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854312 278220160 /nfs/dbraw/zinc/22/01/60/278220160.db2.gz UUHAYJIAWDDJSY-DYVFJYSZSA-N 2 1 278.415 3.254 20 0 CGADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414839465 278296799 /nfs/dbraw/zinc/29/67/99/278296799.db2.gz GABVUKLJCKDSFW-WDEREUQCSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245087 278309539 /nfs/dbraw/zinc/30/95/39/278309539.db2.gz ZAGVLGYQAQXOBZ-ZIAGYGMSSA-N 2 1 254.377 3.181 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2c(s1)CCCC2 ZINC000423322662 278349751 /nfs/dbraw/zinc/34/97/51/278349751.db2.gz OCAOCOOFNZAJHJ-ZWNOBZJWSA-N 2 1 264.438 3.015 20 0 CGADMP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000398036932 288038020 /nfs/dbraw/zinc/03/80/20/288038020.db2.gz QGUITKAZUXDMQN-BEFAXECRSA-N 2 1 295.430 3.134 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1nccn1C ZINC000341758510 288038943 /nfs/dbraw/zinc/03/89/43/288038943.db2.gz QFZCMCNWCVKSBV-HOTGVXAUSA-N 2 1 292.471 3.115 20 0 CGADMP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000459450720 278604382 /nfs/dbraw/zinc/60/43/82/278604382.db2.gz OSOCXHVCPGFRJP-QGZVFWFLSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423346017 278732125 /nfs/dbraw/zinc/73/21/25/278732125.db2.gz YGHUXOIZMRBINW-JCGIZDLHSA-N 2 1 290.451 3.309 20 0 CGADMP CC(C)C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccn1 ZINC000423176791 279001768 /nfs/dbraw/zinc/00/17/68/279001768.db2.gz HVURMOLRIHOHBX-MRXNPFEDSA-N 2 1 275.440 3.420 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000355912984 279103006 /nfs/dbraw/zinc/10/30/06/279103006.db2.gz MJSYPYVNHSBCDV-JKSUJKDBSA-N 2 1 252.446 3.371 20 0 CGADMP Cc1nc2c(s1)[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000414191984 279119563 /nfs/dbraw/zinc/11/95/63/279119563.db2.gz SQJNDUHNTKHWBY-ZIAGYGMSSA-N 2 1 293.480 3.150 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000049553538 279258156 /nfs/dbraw/zinc/25/81/56/279258156.db2.gz NUBJXPWAEGIDAD-MNOVXSKESA-N 2 1 272.795 3.470 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CCC2 ZINC000490227001 288117568 /nfs/dbraw/zinc/11/75/68/288117568.db2.gz JYNQIIKUJIKFHL-OLMNPRSZSA-N 2 1 272.436 3.302 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CCC2 ZINC000490227001 288117570 /nfs/dbraw/zinc/11/75/70/288117570.db2.gz JYNQIIKUJIKFHL-OLMNPRSZSA-N 2 1 272.436 3.302 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071225 279274569 /nfs/dbraw/zinc/27/45/69/279274569.db2.gz WDJXYOOTEVPTMI-RHSMWYFYSA-N 2 1 260.425 3.115 20 0 CGADMP Clc1ccc([C@H]2CCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414890952 279292324 /nfs/dbraw/zinc/29/23/24/279292324.db2.gz NLBQJEWLMHTRMY-XHSDSOJGSA-N 2 1 278.827 3.318 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000358036239 280010222 /nfs/dbraw/zinc/01/02/22/280010222.db2.gz KXUNIBYQJHATGF-MEWRGDBZSA-N 2 1 296.499 3.290 20 0 CGADMP CCS[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163119295 280058630 /nfs/dbraw/zinc/05/86/30/280058630.db2.gz PQJAOBVKHIWQPU-TUVASFSCSA-N 2 1 270.486 3.123 20 0 CGADMP CCS[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163119295 280058633 /nfs/dbraw/zinc/05/86/33/280058633.db2.gz PQJAOBVKHIWQPU-TUVASFSCSA-N 2 1 270.486 3.123 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1CCC12CCCC2)[NH+]1CCCC1 ZINC000189060934 280146576 /nfs/dbraw/zinc/14/65/76/280146576.db2.gz UHIHXCXTQQSQEV-GJZGRUSLSA-N 2 1 250.430 3.173 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000157888193 280186591 /nfs/dbraw/zinc/18/65/91/280186591.db2.gz UEFMYAQYVXTLIX-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)cc1 ZINC000130176303 280197880 /nfs/dbraw/zinc/19/78/80/280197880.db2.gz APUITFHRYSJQFN-LZLYRXPVSA-N 2 1 288.435 3.363 20 0 CGADMP CC(C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423374903 280223751 /nfs/dbraw/zinc/22/37/51/280223751.db2.gz UBOPLIFDIDHVEH-GHJWDPDVSA-N 2 1 282.378 3.044 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251930037 280266000 /nfs/dbraw/zinc/26/60/00/280266000.db2.gz ZENMTQXIBHWHNQ-UGUYLWEFSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000427606743 280270278 /nfs/dbraw/zinc/27/02/78/280270278.db2.gz NIQZPYJLRQNXBN-ROUUACIJSA-N 2 1 274.452 3.184 20 0 CGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)[NH3+])CCCO2 ZINC000423283543 280628012 /nfs/dbraw/zinc/62/80/12/280628012.db2.gz FQQVUSVWVVVUKR-HNNXBMFYSA-N 2 1 276.424 3.351 20 0 CGADMP CC[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000348126862 281119146 /nfs/dbraw/zinc/11/91/46/281119146.db2.gz QCULSWJFLOMPFM-DOTOQJQBSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000157653147 281334342 /nfs/dbraw/zinc/33/43/42/281334342.db2.gz PLHZISKFBYNLTK-XYJFISCASA-N 2 1 286.463 3.345 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCC3)CCCCC1 ZINC000337383318 282044256 /nfs/dbraw/zinc/04/42/56/282044256.db2.gz FUWQLHMAVNVIKI-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000539951287 288639655 /nfs/dbraw/zinc/63/96/55/288639655.db2.gz RYOJKWJKCSXJBF-INIZCTEOSA-N 2 1 284.488 3.293 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000540175156 288649031 /nfs/dbraw/zinc/64/90/31/288649031.db2.gz HPZWQYUHTBIJMG-KBMXLJTQSA-N 2 1 263.429 3.242 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21)Cc1ccccc1 ZINC000549041320 289033485 /nfs/dbraw/zinc/03/34/85/289033485.db2.gz VFOGFSWISFBYFN-KSZLIROESA-N 2 1 272.436 3.287 20 0 CGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000549041351 289033771 /nfs/dbraw/zinc/03/37/71/289033771.db2.gz XCKIONFOILMWIG-KBPBESRZSA-N 2 1 296.405 3.217 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550123162 289067288 /nfs/dbraw/zinc/06/72/88/289067288.db2.gz PEICUJZIMAGNJB-KSSFIOAISA-N 2 1 272.436 3.384 20 0 CGADMP CCC1CC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000551791918 289133315 /nfs/dbraw/zinc/13/33/15/289133315.db2.gz YIGTVLYZUSHPMA-AVAKVYKDSA-N 2 1 286.463 3.329 20 0 CGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1(C)C ZINC000552067037 289158216 /nfs/dbraw/zinc/15/82/16/289158216.db2.gz YZMARPZGEFSZSZ-UHDSXZAQSA-N 2 1 294.483 3.041 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@@H]2CCC[C@H]21 ZINC000552283973 289178495 /nfs/dbraw/zinc/17/84/95/289178495.db2.gz OKYCCCJGQDMFIY-CWRNSKLLSA-N 2 1 296.817 3.442 20 0 CGADMP Cc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000553608920 289231701 /nfs/dbraw/zinc/23/17/01/289231701.db2.gz CPSITDHJKMCHFH-IEBWSBKVSA-N 2 1 295.430 3.307 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312416 289268100 /nfs/dbraw/zinc/26/81/00/289268100.db2.gz UOOLGOPABRAMNH-WFASDCNBSA-N 2 1 281.831 3.040 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000554880099 289316618 /nfs/dbraw/zinc/31/66/18/289316618.db2.gz AKHJSHUQWGWZEC-LJQANCHMSA-N 2 1 286.463 3.467 20 0 CGADMP CC(C)CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000555162837 289330890 /nfs/dbraw/zinc/33/08/90/289330890.db2.gz DWWQREXAEJSNHE-JKSUJKDBSA-N 2 1 252.446 3.131 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(C)C)[C@H](C)C1 ZINC000556259602 289382536 /nfs/dbraw/zinc/38/25/36/289382536.db2.gz GZPFJWQRGGOPAN-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697377 290264634 /nfs/dbraw/zinc/26/46/34/290264634.db2.gz HABDRGKYPNWZDS-IJLUTSLNSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000415062910 297074789 /nfs/dbraw/zinc/07/47/89/297074789.db2.gz ZQVDXUKFUCBTKA-MROQNXINSA-N 2 1 278.362 3.024 20 0 CGADMP [NH3+]CC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423193052 295235007 /nfs/dbraw/zinc/23/50/07/295235007.db2.gz WJACIKORWKYKQQ-UONOGXRCSA-N 2 1 286.341 3.280 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423385088 297109709 /nfs/dbraw/zinc/10/97/09/297109709.db2.gz GHCSDMVGXNCVNV-KCPJHIHWSA-N 2 1 294.826 3.141 20 0 CGADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000262057557 298259473 /nfs/dbraw/zinc/25/94/73/298259473.db2.gz IVIRDQCMIZODBZ-OAHLLOKOSA-N 2 1 272.436 3.287 20 0 CGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346846229 302026924 /nfs/dbraw/zinc/02/69/24/302026924.db2.gz NNTTZVPXNQJEDD-WBVHZDCISA-N 2 1 258.409 3.132 20 0 CGADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830606 302100515 /nfs/dbraw/zinc/10/05/15/302100515.db2.gz BCCPFXFGLOKCIQ-QAPCUYQASA-N 2 1 274.452 3.423 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3ccccc32)CCCCC1 ZINC000423183459 303359816 /nfs/dbraw/zinc/35/98/16/303359816.db2.gz RZTCCEMDUVWKAM-HNNXBMFYSA-N 2 1 274.408 3.152 20 0 CGADMP [NH3+]CCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423520572 303380676 /nfs/dbraw/zinc/38/06/76/303380676.db2.gz RLUCMIASPBAARB-QYZOEREBSA-N 3 1 295.430 3.201 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CC1 ZINC000423279269 303393244 /nfs/dbraw/zinc/39/32/44/303393244.db2.gz RAUHJHOBWGHZNN-OAHLLOKOSA-N 2 1 250.430 3.206 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)F)cc2)CCCCC1 ZINC000563427436 321997348 /nfs/dbraw/zinc/99/73/48/321997348.db2.gz FBWLPBZIJNPEKZ-UHFFFAOYSA-N 2 1 268.351 3.375 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000563722206 322007907 /nfs/dbraw/zinc/00/79/07/322007907.db2.gz KZVAVEAGUMVXHR-JSGCOSHPSA-N 2 1 266.816 3.268 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000563722206 322007908 /nfs/dbraw/zinc/00/79/08/322007908.db2.gz KZVAVEAGUMVXHR-JSGCOSHPSA-N 2 1 266.816 3.268 20 0 CGADMP C[C@@H](CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000564798742 322043562 /nfs/dbraw/zinc/04/35/62/322043562.db2.gz QTLLJDUJNDXMHF-RDJZCZTQSA-N 2 1 292.492 3.334 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000564827715 322045267 /nfs/dbraw/zinc/04/52/67/322045267.db2.gz VAEUVUYRMYUUDF-CMPLNLGQSA-N 2 1 270.779 3.272 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000564973806 322052227 /nfs/dbraw/zinc/05/22/27/322052227.db2.gz TTZDCZDWVAZYLU-QWHCGFSZSA-N 2 1 295.858 3.156 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000565587705 322083093 /nfs/dbraw/zinc/08/30/93/322083093.db2.gz HMVQQYLEVGBYMG-ZQDZILKHSA-N 2 1 278.465 3.172 20 0 CGADMP C[C@@H](C1CC1)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000566351452 322117356 /nfs/dbraw/zinc/11/73/56/322117356.db2.gz IQETTZOJEMDUEG-ZDUSSCGKSA-N 2 1 270.420 3.095 20 0 CGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566424536 322122519 /nfs/dbraw/zinc/12/25/19/322122519.db2.gz NBRKAIXUINLIHU-VXGBXAGGSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000566424536 322122523 /nfs/dbraw/zinc/12/25/23/322122523.db2.gz NBRKAIXUINLIHU-VXGBXAGGSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1c[nH+]ccc1N ZINC000567674279 322172639 /nfs/dbraw/zinc/17/26/39/322172639.db2.gz HESCQRJRXNRGHV-FPMFFAJLSA-N 2 1 259.397 3.114 20 0 CGADMP Cc1ccc2ccnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000567749996 322175920 /nfs/dbraw/zinc/17/59/20/322175920.db2.gz CZBYILLBXFOUCI-WMZOPIPTSA-N 2 1 295.430 3.464 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000568049028 322189859 /nfs/dbraw/zinc/18/98/59/322189859.db2.gz KCDBOZKJROTNLV-BZUAXINKSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000568404748 322207727 /nfs/dbraw/zinc/20/77/27/322207727.db2.gz KPTODZPAQSMIJQ-KURKYZTESA-N 2 1 272.436 3.266 20 0 CGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H](C)c1ccccc1 ZINC000568407736 322207917 /nfs/dbraw/zinc/20/79/17/322207917.db2.gz PGRAYTIIUSOZEP-CABCVRRESA-N 2 1 271.408 3.135 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000569577420 322250937 /nfs/dbraw/zinc/25/09/37/322250937.db2.gz PIADJNUYIZMKBD-IAOVAPTHSA-N 2 1 281.403 3.107 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000570623701 322278110 /nfs/dbraw/zinc/27/81/10/322278110.db2.gz DKFBWVRLXMTHAI-HNNXBMFYSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc(Br)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000570965480 322286579 /nfs/dbraw/zinc/28/65/79/322286579.db2.gz ITLPNKRRAADXIO-JGVFFNPUSA-N 2 1 291.258 3.034 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccnc3ccccc23)C1 ZINC000571168918 322291712 /nfs/dbraw/zinc/29/17/12/322291712.db2.gz KQNJZGOGASIPKH-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000571299503 322295217 /nfs/dbraw/zinc/29/52/17/322295217.db2.gz SVDBODGFFDSYAR-XXQMMXQMSA-N 2 1 284.447 3.428 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000571299503 322295219 /nfs/dbraw/zinc/29/52/19/322295219.db2.gz SVDBODGFFDSYAR-XXQMMXQMSA-N 2 1 284.447 3.428 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000572503259 322340488 /nfs/dbraw/zinc/34/04/88/322340488.db2.gz OFDGVPYUPYNBKG-HZPDHXFCSA-N 2 1 294.389 3.457 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000572503259 322340490 /nfs/dbraw/zinc/34/04/90/322340490.db2.gz OFDGVPYUPYNBKG-HZPDHXFCSA-N 2 1 294.389 3.457 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCc1cncn1C ZINC000572981202 322364801 /nfs/dbraw/zinc/36/48/01/322364801.db2.gz VGQZCITTWGBIKO-CRAIPNDOSA-N 2 1 283.419 3.231 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000572981202 322364805 /nfs/dbraw/zinc/36/48/05/322364805.db2.gz VGQZCITTWGBIKO-CRAIPNDOSA-N 2 1 283.419 3.231 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000572981202 322364806 /nfs/dbraw/zinc/36/48/06/322364806.db2.gz VGQZCITTWGBIKO-CRAIPNDOSA-N 2 1 283.419 3.231 20 0 CGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000573227108 322376870 /nfs/dbraw/zinc/37/68/70/322376870.db2.gz FZPQWMHNXRJKBS-QGZVFWFLSA-N 2 1 297.531 3.209 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604380 322396840 /nfs/dbraw/zinc/39/68/40/322396840.db2.gz BRYUUIVLVYXQMW-XVWMLYKFSA-N 2 1 294.389 3.252 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000582666654 329121908 /nfs/dbraw/zinc/12/19/08/329121908.db2.gz YGKNTMWUFGBOIK-STQMWFEESA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000582666654 329121909 /nfs/dbraw/zinc/12/19/09/329121909.db2.gz YGKNTMWUFGBOIK-STQMWFEESA-N 2 1 293.480 3.360 20 0 CGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000582674775 329123641 /nfs/dbraw/zinc/12/36/41/329123641.db2.gz XPYSYUUQKOKUBQ-UHFFFAOYSA-N 2 1 297.446 3.406 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000397751964 329390098 /nfs/dbraw/zinc/39/00/98/329390098.db2.gz CCONRNSLJSIDCB-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP COC1(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CCC1 ZINC000576718999 335239871 /nfs/dbraw/zinc/23/98/71/335239871.db2.gz MEMVKJWTXXACFW-HOTGVXAUSA-N 2 1 282.472 3.044 20 0 CGADMP CCc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000576830418 335253422 /nfs/dbraw/zinc/25/34/22/335253422.db2.gz VCVKXPHJYIEPDZ-MRXNPFEDSA-N 2 1 260.425 3.071 20 0 CGADMP CC/C=C\CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000346568421 335369315 /nfs/dbraw/zinc/36/93/15/335369315.db2.gz OFDSGVYOBOSIGN-QVOWHETESA-N 2 1 282.472 3.069 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000577739860 335394892 /nfs/dbraw/zinc/39/48/92/335394892.db2.gz ZZIAWLQKUIFQAN-ZDUSSCGKSA-N 2 1 260.381 3.391 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2Cc3ccccc3C2)C[C@@H]1C ZINC000581102686 336008482 /nfs/dbraw/zinc/00/84/82/336008482.db2.gz HQKINBMZJIKOLX-KXBFYZLASA-N 2 1 286.463 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2Cc3ccccc3C2)C[C@@H]1C ZINC000581102686 336008483 /nfs/dbraw/zinc/00/84/83/336008483.db2.gz HQKINBMZJIKOLX-KXBFYZLASA-N 2 1 286.463 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2Cc3ccccc3C2)C[C@@H]1C ZINC000581102686 336008484 /nfs/dbraw/zinc/00/84/84/336008484.db2.gz HQKINBMZJIKOLX-KXBFYZLASA-N 2 1 286.463 3.206 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000581162781 336017102 /nfs/dbraw/zinc/01/71/02/336017102.db2.gz CQFYUVGEAKOSNO-KXBFYZLASA-N 2 1 286.463 3.064 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000581162781 336017103 /nfs/dbraw/zinc/01/71/03/336017103.db2.gz CQFYUVGEAKOSNO-KXBFYZLASA-N 2 1 286.463 3.064 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000381472117 336066128 /nfs/dbraw/zinc/06/61/28/336066128.db2.gz LKWJTTPDHKWTEA-JKOKRWQUSA-N 2 1 252.427 3.190 20 0 CGADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000381472117 336066129 /nfs/dbraw/zinc/06/61/29/336066129.db2.gz LKWJTTPDHKWTEA-JKOKRWQUSA-N 2 1 252.427 3.190 20 0 CGADMP CSCC1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000385583119 336151993 /nfs/dbraw/zinc/15/19/93/336151993.db2.gz SWDXJUXNBWJJQF-HWOWSKLDSA-N 2 1 284.513 3.228 20 0 CGADMP CSCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000385851116 336157949 /nfs/dbraw/zinc/15/79/49/336157949.db2.gz PXEVUSFROQOMOO-QDIHITRGSA-N 2 1 282.497 3.125 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000157478969 520735952 /nfs/dbraw/zinc/73/59/52/520735952.db2.gz LAEIQZXIXJNUHX-KGLIPLIRSA-N 2 1 266.404 3.077 20 0 CGADMP Cc1cc(F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c(F)c1 ZINC000425327963 533809688 /nfs/dbraw/zinc/80/96/88/533809688.db2.gz QCZHERMQSNFDQQ-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180166 533899738 /nfs/dbraw/zinc/89/97/38/533899738.db2.gz LIYCBDKGFNGZGZ-RBDSIQFVSA-N 2 1 296.817 3.265 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180166 533899749 /nfs/dbraw/zinc/89/97/49/533899749.db2.gz LIYCBDKGFNGZGZ-RBDSIQFVSA-N 2 1 296.817 3.265 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358201306 533942450 /nfs/dbraw/zinc/94/24/50/533942450.db2.gz KDDHWHQDBPUYTP-NVXWUHKLSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000358201306 533942459 /nfs/dbraw/zinc/94/24/59/533942459.db2.gz KDDHWHQDBPUYTP-NVXWUHKLSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000449130466 534150249 /nfs/dbraw/zinc/15/02/49/534150249.db2.gz GPOCMXPHPGMTIX-ZACQAIPSSA-N 2 1 294.483 3.046 20 0 CGADMP CSc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccn1 ZINC000357853060 534167555 /nfs/dbraw/zinc/16/75/55/534167555.db2.gz PLIVPKNIRHNPIF-UHFFFAOYSA-N 2 1 293.480 3.156 20 0 CGADMP CSc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000369715033 534200048 /nfs/dbraw/zinc/20/00/48/534200048.db2.gz OGLXQFKTIDZVKT-MQVJKMGUSA-N 2 1 290.476 3.166 20 0 CGADMP Fc1cccc2[nH]c(C[NH2+]C3CC[NH+](C4CC4)CC3)cc21 ZINC000436276243 534527815 /nfs/dbraw/zinc/52/78/15/534527815.db2.gz RWGCTGJORROHNK-UHFFFAOYSA-N 2 1 287.382 3.023 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000037643894 521710512 /nfs/dbraw/zinc/71/05/12/521710512.db2.gz BJBSMSUTFJOHTM-ZDUSSCGKSA-N 2 1 286.341 3.137 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000037643730 521710534 /nfs/dbraw/zinc/71/05/34/521710534.db2.gz BIQYFQNGJGSQCD-HNNXBMFYSA-N 2 1 268.404 3.271 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC000423285816 534678253 /nfs/dbraw/zinc/67/82/53/534678253.db2.gz YTTURXIZVNWZLA-ZIAGYGMSSA-N 2 1 285.218 3.308 20 0 CGADMP C[N@@H+](Cc1ccccc1Cl)C1CCC([NH3+])CC1 ZINC000055144461 523365672 /nfs/dbraw/zinc/36/56/72/523365672.db2.gz HSKJLYQAAFNBRJ-UHFFFAOYSA-N 2 1 252.789 3.042 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000161511463 523847717 /nfs/dbraw/zinc/84/77/17/523847717.db2.gz WMCXGLZFHZPQOB-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000088164121 524480870 /nfs/dbraw/zinc/48/08/70/524480870.db2.gz LEJHAIAPFCOURR-CCNLRDMRSA-N 2 1 272.436 3.395 20 0 CGADMP Cc1cccc(NCCCC[NH+]2CCC(C)CC2)[nH+]1 ZINC000157108039 524673660 /nfs/dbraw/zinc/67/36/60/524673660.db2.gz XRZTUQGTYYPSAS-UHFFFAOYSA-N 2 1 261.413 3.314 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cnc2ccsc2c1 ZINC000156579167 525566877 /nfs/dbraw/zinc/56/68/77/525566877.db2.gz XYPSTFCQUBHVOO-MBNYWOFBSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cnc2ccsc2c1 ZINC000156579167 525566884 /nfs/dbraw/zinc/56/68/84/525566884.db2.gz XYPSTFCQUBHVOO-MBNYWOFBSA-N 2 1 289.448 3.430 20 0 CGADMP Fc1ccccc1C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157563667 526408635 /nfs/dbraw/zinc/40/86/35/526408635.db2.gz KADSILHLKRHGRK-BHDPWAOGSA-N 2 1 288.410 3.288 20 0 CGADMP CC(C)(C)c1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000414808248 526864459 /nfs/dbraw/zinc/86/44/59/526864459.db2.gz SBKWJMPPISOQHB-WCQYABFASA-N 2 1 281.469 3.048 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000130048871 526966551 /nfs/dbraw/zinc/96/65/51/526966551.db2.gz DJSYLCCXOMGRJQ-SJKOYZFVSA-N 2 1 290.838 3.401 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)c2ccccc21 ZINC000157438514 527417481 /nfs/dbraw/zinc/41/74/81/527417481.db2.gz HLCBOUVXEIIZCW-ZWKOTPCHSA-N 2 1 282.387 3.190 20 0 CGADMP C(C1CCOCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171860108 527476370 /nfs/dbraw/zinc/47/63/70/527476370.db2.gz IFQQCUKVZGEBEA-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)C1 ZINC000424262793 527744505 /nfs/dbraw/zinc/74/45/05/527744505.db2.gz GQMAWHDOLAVQAB-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)C1 ZINC000424262793 527744510 /nfs/dbraw/zinc/74/45/10/527744510.db2.gz GQMAWHDOLAVQAB-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423445738 527782414 /nfs/dbraw/zinc/78/24/14/527782414.db2.gz NEVAJTIYSIHHGY-KKUMJFAQSA-N 2 1 278.440 3.498 20 0 CGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000449091517 527826815 /nfs/dbraw/zinc/82/68/15/527826815.db2.gz KADZNBXFHBZAGR-IAGOWNOFSA-N 2 1 296.499 3.028 20 0 CGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000449061412 527859794 /nfs/dbraw/zinc/85/97/94/527859794.db2.gz IOHMDVSIRVFAPP-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411878165 528105107 /nfs/dbraw/zinc/10/51/07/528105107.db2.gz VARKALYDCPLJDI-UHFFFAOYSA-N 2 1 270.486 3.080 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCSC2(CCC2)CC1 ZINC000411878165 528105116 /nfs/dbraw/zinc/10/51/16/528105116.db2.gz VARKALYDCPLJDI-UHFFFAOYSA-N 2 1 270.486 3.080 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000092835389 528112593 /nfs/dbraw/zinc/11/25/93/528112593.db2.gz HGBQWCDMGMEEFR-QGZVFWFLSA-N 2 1 276.424 3.004 20 0 CGADMP CC(C)C[C@@H](C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367601833 528249805 /nfs/dbraw/zinc/24/98/05/528249805.db2.gz PVAJHHHQJKORMX-JZWPEALZSA-N 2 1 252.446 3.226 20 0 CGADMP CC(C)C[C@@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367601833 528249814 /nfs/dbraw/zinc/24/98/14/528249814.db2.gz PVAJHHHQJKORMX-JZWPEALZSA-N 2 1 252.446 3.226 20 0 CGADMP CC(C)C[C@@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367601833 528249816 /nfs/dbraw/zinc/24/98/16/528249816.db2.gz PVAJHHHQJKORMX-JZWPEALZSA-N 2 1 252.446 3.226 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000414074745 528262134 /nfs/dbraw/zinc/26/21/34/528262134.db2.gz OKDUINVBFMDALI-PMPSAXMXSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000423268281 528310036 /nfs/dbraw/zinc/31/00/36/528310036.db2.gz FURGCXFYFKEOPD-RISCZKNCSA-N 2 1 254.805 3.364 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000423281316 528313715 /nfs/dbraw/zinc/31/37/15/528313715.db2.gz UFPNYNCKTINEMH-YNEHKIRRSA-N 2 1 281.469 3.435 20 0 CGADMP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000423281314 528313834 /nfs/dbraw/zinc/31/38/34/528313834.db2.gz UFPNYNCKTINEMH-RWMBFGLXSA-N 2 1 281.469 3.435 20 0 CGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)Cc1ccoc1 ZINC000449385382 528315627 /nfs/dbraw/zinc/31/56/27/528315627.db2.gz QCEOKAPWJFNAPN-WBVHZDCISA-N 2 1 278.440 3.311 20 0 CGADMP CC[NH2+]CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423249878 528332414 /nfs/dbraw/zinc/33/24/14/528332414.db2.gz SSNJMFJYKWMLKP-OUAUKWLOSA-N 2 1 272.845 3.093 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](CCSC)CC1)CC1CC1 ZINC000357088363 528430668 /nfs/dbraw/zinc/43/06/68/528430668.db2.gz SCQGSHILBYGNQA-UHFFFAOYSA-N 2 1 284.513 3.183 20 0 CGADMP CC(C)n1cncc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000424126925 528624748 /nfs/dbraw/zinc/62/47/48/528624748.db2.gz CHUNNSQMTFKFQV-INIZCTEOSA-N 2 1 292.471 3.208 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423287245 528689053 /nfs/dbraw/zinc/68/90/53/528689053.db2.gz LBPIYXXCUBPIPI-CYBMUJFWSA-N 2 1 294.439 3.262 20 0 CGADMP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000437106056 528854422 /nfs/dbraw/zinc/85/44/22/528854422.db2.gz FVMHHPDMZWOFCK-WBVHZDCISA-N 2 1 289.467 3.104 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000423289112 528954511 /nfs/dbraw/zinc/95/45/11/528954511.db2.gz WFVNVVLORLVUIY-CYBMUJFWSA-N 2 1 278.444 3.166 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000121062725 528988271 /nfs/dbraw/zinc/98/82/71/528988271.db2.gz JBDVHIDNWNFYOZ-SJLPKXTDSA-N 2 1 272.436 3.397 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC1 ZINC000436304507 528988940 /nfs/dbraw/zinc/98/89/40/528988940.db2.gz FJWVAPHLEJSSJN-WJYNOGRTSA-N 2 1 294.389 3.285 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423268498 529072176 /nfs/dbraw/zinc/07/21/76/529072176.db2.gz GKVVJQVVSGYHIY-RDTXWAMCSA-N 2 1 283.419 3.383 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449108332 529086454 /nfs/dbraw/zinc/08/64/54/529086454.db2.gz ULMGNONPNXIIFR-HUUCEWRRSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(F)ccc1F ZINC000423562599 529120287 /nfs/dbraw/zinc/12/02/87/529120287.db2.gz QUGUDEOGTABXJJ-INIZCTEOSA-N 2 1 282.378 3.394 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1OC(F)F ZINC000423315000 529157423 /nfs/dbraw/zinc/15/74/23/529157423.db2.gz AAVNDPYFRSXOLY-GFCCVEGCSA-N 2 1 284.350 3.210 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000414201072 529168163 /nfs/dbraw/zinc/16/81/63/529168163.db2.gz YBMNBMAVSAQHCH-MAUKXSAKSA-N 2 1 290.451 3.468 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc2cccnc21 ZINC000128490007 535064585 /nfs/dbraw/zinc/06/45/85/535064585.db2.gz LMVHBKSGUWSLAD-MRXNPFEDSA-N 2 1 271.408 3.040 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C)n1 ZINC000450753174 535577117 /nfs/dbraw/zinc/57/71/17/535577117.db2.gz HJHAUZYHWMEDIW-WMZOPIPTSA-N 2 1 289.467 3.380 20 0 CGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCOC1 ZINC000123975691 535919249 /nfs/dbraw/zinc/91/92/49/535919249.db2.gz XDUVTENRSKWJDD-ROUUACIJSA-N 2 1 290.451 3.043 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000459736668 536384875 /nfs/dbraw/zinc/38/48/75/536384875.db2.gz QJKQEZGQCVVGHF-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000459734413 536385044 /nfs/dbraw/zinc/38/50/44/536385044.db2.gz HCCTUGRVPDRMAG-QLFBSQMISA-N 2 1 284.513 3.228 20 0 CGADMP CCC(CC)(CC)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000395173582 572475641 /nfs/dbraw/zinc/47/56/41/572475641.db2.gz FCMJTZCCLLDWRX-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000749287432 572991681 /nfs/dbraw/zinc/99/16/81/572991681.db2.gz HVWLWYZSBAKNRE-IAGOWNOFSA-N 2 1 283.419 3.197 20 0 CGADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccs1 ZINC000093678114 618222353 /nfs/dbraw/zinc/22/23/53/618222353.db2.gz HMRBTZNQNLWWKT-GOOCMWNKSA-N 2 1 278.465 3.491 20 0 CGADMP C1C[C@@H]2C[C@H]([NH2+]C3CCCCCCC3)CC[N@H+]2C1 ZINC000106868889 618567303 /nfs/dbraw/zinc/56/73/03/618567303.db2.gz BZKYCQUXAMZQDQ-HZPDHXFCSA-N 2 1 250.430 3.316 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934559358 618646322 /nfs/dbraw/zinc/64/63/22/618646322.db2.gz MADHCEYKWJAEJY-HNNXBMFYSA-N 2 1 292.471 3.066 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000235516273 618679155 /nfs/dbraw/zinc/67/91/55/618679155.db2.gz ZROJDDPJVSFWPG-DZGCQCFKSA-N 2 1 254.377 3.242 20 0 CGADMP C[C@H](C1CC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000782194398 618738105 /nfs/dbraw/zinc/73/81/05/618738105.db2.gz XPLNZGWWTPKSEG-OAHLLOKOSA-N 2 1 287.451 3.418 20 0 CGADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000924540866 618808649 /nfs/dbraw/zinc/80/86/49/618808649.db2.gz YYDLONFGYBSDEM-GFCCVEGCSA-N 2 1 260.381 3.344 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707681 618832735 /nfs/dbraw/zinc/83/27/35/618832735.db2.gz SCZXKZBDKVCLGS-NJAFHUGGSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707681 618832736 /nfs/dbraw/zinc/83/27/36/618832736.db2.gz SCZXKZBDKVCLGS-NJAFHUGGSA-N 2 1 294.483 3.044 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CCCCC1 ZINC000924561924 618835197 /nfs/dbraw/zinc/83/51/97/618835197.db2.gz YMLZPOBOAUOLQK-IRXDYDNUSA-N 2 1 294.483 3.046 20 0 CGADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000892584281 618867666 /nfs/dbraw/zinc/86/76/66/618867666.db2.gz IFUCUHWNUFGVEN-OAHLLOKOSA-N 2 1 294.439 3.280 20 0 CGADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000892584840 618868238 /nfs/dbraw/zinc/86/82/38/618868238.db2.gz OXJMKTJPHPWXHD-HNNXBMFYSA-N 2 1 294.439 3.423 20 0 CGADMP Cn1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309688478 618935334 /nfs/dbraw/zinc/93/53/34/618935334.db2.gz CGFXNMGZLOLQBA-IBGZPJMESA-N 2 1 297.446 3.027 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000893076752 618989746 /nfs/dbraw/zinc/98/97/46/618989746.db2.gz FWFWWCCUQDUTOR-OHRKKDJYSA-N 2 1 276.424 3.124 20 0 CGADMP C[C@H](N)[C@@H]([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000925523892 619017882 /nfs/dbraw/zinc/01/78/82/619017882.db2.gz OSFHQGIVZFJSNR-MAUKXSAKSA-N 2 1 284.403 3.134 20 0 CGADMP CCCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000093678121 619209509 /nfs/dbraw/zinc/20/95/09/619209509.db2.gz PLKAEJJAEQXPLF-GOOCMWNKSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)C1CCCC1 ZINC000094372763 619245262 /nfs/dbraw/zinc/24/52/62/619245262.db2.gz DOYZUCBCXRUYEO-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)C1CCCC1 ZINC000094372763 619245264 /nfs/dbraw/zinc/24/52/64/619245264.db2.gz DOYZUCBCXRUYEO-INIZCTEOSA-N 2 1 294.483 3.332 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC000261561612 619288827 /nfs/dbraw/zinc/28/88/27/619288827.db2.gz GACKSLNGLNBOMX-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP C[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000237108917 619442993 /nfs/dbraw/zinc/44/29/93/619442993.db2.gz QTIFIVOMARAFDP-UHFFFAOYSA-N 2 1 278.362 3.039 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1COCC1(C)C ZINC000894385047 619512879 /nfs/dbraw/zinc/51/28/79/619512879.db2.gz PFUSAYWVOQCJNV-QGZVFWFLSA-N 2 1 290.451 3.041 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000894475693 619549162 /nfs/dbraw/zinc/54/91/62/619549162.db2.gz IHOAECOKNYSLPJ-UHFFFAOYSA-N 2 1 293.798 3.073 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000894475693 619549163 /nfs/dbraw/zinc/54/91/63/619549163.db2.gz IHOAECOKNYSLPJ-UHFFFAOYSA-N 2 1 293.798 3.073 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1cccc(F)c1 ZINC000894781630 619633388 /nfs/dbraw/zinc/63/33/88/619633388.db2.gz GTWAOSQASIMUOF-YCVPZWQRSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1cccc(F)c1 ZINC000894781630 619633390 /nfs/dbraw/zinc/63/33/90/619633390.db2.gz GTWAOSQASIMUOF-YCVPZWQRSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C/c1cccc(F)c1 ZINC000894781630 619633391 /nfs/dbraw/zinc/63/33/91/619633391.db2.gz GTWAOSQASIMUOF-YCVPZWQRSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC000894781630 619633393 /nfs/dbraw/zinc/63/33/93/619633393.db2.gz GTWAOSQASIMUOF-YCVPZWQRSA-N 2 1 276.399 3.111 20 0 CGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2cccnc12 ZINC000262060450 619643776 /nfs/dbraw/zinc/64/37/76/619643776.db2.gz RBIZVHLGHKDUTJ-UHFFFAOYSA-N 2 1 295.430 3.119 20 0 CGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860009 619656631 /nfs/dbraw/zinc/65/66/31/619656631.db2.gz SIXQJNBGXDPUKO-VDNIUXDYSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860009 619656635 /nfs/dbraw/zinc/65/66/35/619656635.db2.gz SIXQJNBGXDPUKO-VDNIUXDYSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860009 619656638 /nfs/dbraw/zinc/65/66/38/619656638.db2.gz SIXQJNBGXDPUKO-VDNIUXDYSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860009 619656642 /nfs/dbraw/zinc/65/66/42/619656642.db2.gz SIXQJNBGXDPUKO-VDNIUXDYSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000894862050 619658162 /nfs/dbraw/zinc/65/81/62/619658162.db2.gz ZJNXNPQTRCWASH-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000895375418 619817150 /nfs/dbraw/zinc/81/71/50/619817150.db2.gz AWGPUWFMNYYPRC-SWLSCSKDSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)s1 ZINC000895375418 619817152 /nfs/dbraw/zinc/81/71/52/619817152.db2.gz AWGPUWFMNYYPRC-SWLSCSKDSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ccccc1C(F)(F)C[NH2+]CC1CC[NH+](C)CC1 ZINC000895447322 619831096 /nfs/dbraw/zinc/83/10/96/619831096.db2.gz FIDKZTUGVRNSNA-UHFFFAOYSA-N 2 1 282.378 3.018 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1C[C@@H]1C ZINC000840715925 620164801 /nfs/dbraw/zinc/16/48/01/620164801.db2.gz UFWVBLHFCFSQEE-MAZHCROVSA-N 2 1 284.407 3.100 20 0 CGADMP CSc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000237323755 620270698 /nfs/dbraw/zinc/27/06/98/620270698.db2.gz VHVWHAVAPPXGST-CYBMUJFWSA-N 2 1 289.448 3.339 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000872026184 620274513 /nfs/dbraw/zinc/27/45/13/620274513.db2.gz YTBIPYQVZMWTTH-VXGBXAGGSA-N 2 1 266.351 3.037 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC000897620725 620412882 /nfs/dbraw/zinc/41/28/82/620412882.db2.gz XQLKZHGETANKPG-MKXGPGLRSA-N 2 1 284.447 3.064 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC000897620725 620412883 /nfs/dbraw/zinc/41/28/83/620412883.db2.gz XQLKZHGETANKPG-MKXGPGLRSA-N 2 1 284.447 3.064 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC000897620725 620412885 /nfs/dbraw/zinc/41/28/85/620412885.db2.gz XQLKZHGETANKPG-MKXGPGLRSA-N 2 1 284.447 3.064 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@@H+]1CCCC[C@H]1C ZINC000924661291 620557866 /nfs/dbraw/zinc/55/78/66/620557866.db2.gz OEVGHVBSMDQJQC-FVPDABNVSA-N 2 1 282.497 3.266 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@H+]1CCCC[C@H]1C ZINC000924661291 620557869 /nfs/dbraw/zinc/55/78/69/620557869.db2.gz OEVGHVBSMDQJQC-FVPDABNVSA-N 2 1 282.497 3.266 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924708719 620570361 /nfs/dbraw/zinc/57/03/61/620570361.db2.gz ZIQDKHLRQRGKMR-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000924708719 620570364 /nfs/dbraw/zinc/57/03/64/620570364.db2.gz ZIQDKHLRQRGKMR-WFASDCNBSA-N 2 1 293.842 3.044 20 0 CGADMP [NH3+]C1(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000902407628 621293334 /nfs/dbraw/zinc/29/33/34/621293334.db2.gz SJJGQSBOEVPIDO-QGZVFWFLSA-N 2 1 284.378 3.190 20 0 CGADMP CNc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000902402721 621307012 /nfs/dbraw/zinc/30/70/12/621307012.db2.gz BUZMRNJIPFVOPS-INIZCTEOSA-N 2 1 289.467 3.186 20 0 CGADMP COc1cccc(C[C@@H]([NH2+]CC2([NH3+])CC2)c2ccccc2)c1 ZINC000902414095 621323348 /nfs/dbraw/zinc/32/33/48/621323348.db2.gz SFHATMSSTDYDNU-GOSISDBHSA-N 2 1 296.414 3.060 20 0 CGADMP CC1(C)[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H]1c1ccccc1 ZINC000902475322 621325759 /nfs/dbraw/zinc/32/57/59/621325759.db2.gz IIVABZXCWNUFNY-HMDCTGQHSA-N 2 1 270.420 3.051 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470861 621341208 /nfs/dbraw/zinc/34/12/08/621341208.db2.gz HWJUYVRAHPJMQQ-BSLXNSKLSA-N 2 1 298.352 3.119 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccncc2)C2CC2)c2ccccc21 ZINC000902516270 621359390 /nfs/dbraw/zinc/35/93/90/621359390.db2.gz CISPYIXGOUTIBQ-SQNIBIBYSA-N 2 1 279.387 3.267 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000902727689 621414279 /nfs/dbraw/zinc/41/42/79/621414279.db2.gz AKMIXVMMLXNWBR-UGSOOPFHSA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000902727688 621414748 /nfs/dbraw/zinc/41/47/48/621414748.db2.gz AKMIXVMMLXNWBR-SCLBCKFNSA-N 2 1 288.435 3.002 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](CC(C)C)C1CCOCC1)[NH+]1CCCC1 ZINC000902741167 621422325 /nfs/dbraw/zinc/42/23/25/621422325.db2.gz NCOISADQYNPLMW-ROUUACIJSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902794473 621450804 /nfs/dbraw/zinc/45/08/04/621450804.db2.gz WMRBEUQWKIQIOD-BZUAXINKSA-N 2 1 264.457 3.275 20 0 CGADMP CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000903082644 621563580 /nfs/dbraw/zinc/56/35/80/621563580.db2.gz UQICCBBKJRFGFU-QZTJIDSGSA-N 2 1 290.451 3.184 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C1CC1)C1CC1 ZINC000903104315 621577345 /nfs/dbraw/zinc/57/73/45/621577345.db2.gz SEYWRDQMYPPXHX-ZXFUBFMLSA-N 2 1 274.452 3.170 20 0 CGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC13CCCC3)C2 ZINC000903158405 621602844 /nfs/dbraw/zinc/60/28/44/621602844.db2.gz AHGNROXGRNGCES-YPAMNDHTSA-N 2 1 260.425 3.067 20 0 CGADMP Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903179217 621615210 /nfs/dbraw/zinc/61/52/10/621615210.db2.gz OEYOSAZHKIVXBV-LQDVMPOASA-N 2 1 276.449 3.304 20 0 CGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903341052 621695431 /nfs/dbraw/zinc/69/54/31/621695431.db2.gz VMLHQIUOHJXFQE-KRWDZBQOSA-N 2 1 287.451 3.385 20 0 CGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccnc1 ZINC000903380106 621722342 /nfs/dbraw/zinc/72/23/42/621722342.db2.gz KAXUESYLEDKESJ-HOTGVXAUSA-N 2 1 275.440 3.243 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439338 621748215 /nfs/dbraw/zinc/74/82/15/621748215.db2.gz GHEWOZDLRKQYPN-WVZRYYJFSA-N 2 1 276.399 3.336 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903423392 621750807 /nfs/dbraw/zinc/75/08/07/621750807.db2.gz USNAARFAEIJPNK-LBPRGKRZSA-N 2 1 274.795 3.274 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2[nH]1 ZINC000903463882 621753369 /nfs/dbraw/zinc/75/33/69/621753369.db2.gz QUCOKWUFNXRCKI-GOSISDBHSA-N 2 1 297.446 3.380 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903491097 621766359 /nfs/dbraw/zinc/76/63/59/621766359.db2.gz UYUXOAUURVZWEZ-GFCCVEGCSA-N 2 1 296.352 3.262 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)C[C@H]1CC[NH3+] ZINC000903500073 621766635 /nfs/dbraw/zinc/76/66/35/621766635.db2.gz SAJGNFSQFSTLHN-TZMCWYRMSA-N 2 1 293.480 3.217 20 0 CGADMP COc1ccc(C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C2CC2)cc1 ZINC000903717816 621795503 /nfs/dbraw/zinc/79/55/03/621795503.db2.gz DOASRBQRHOCYRC-MRXNPFEDSA-N 2 1 288.435 3.049 20 0 CGADMP COc1ccccc1C[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903724475 621797003 /nfs/dbraw/zinc/79/70/03/621797003.db2.gz NVQNFUKFSXIELD-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP COc1ccccc1C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903724475 621797005 /nfs/dbraw/zinc/79/70/05/621797005.db2.gz NVQNFUKFSXIELD-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732934 621797410 /nfs/dbraw/zinc/79/74/10/621797410.db2.gz HXIXQWCAEFTCTD-BBWFWOEESA-N 2 1 294.483 3.046 20 0 CGADMP FCc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903749953 621799522 /nfs/dbraw/zinc/79/95/22/621799522.db2.gz SVZDMWPNMLFMCP-FUHWJXTLSA-N 2 1 290.426 3.368 20 0 CGADMP C[C@@H]1c2ccsc2CC[N@@H+]1CCCCCC[NH3+] ZINC000042781823 621807827 /nfs/dbraw/zinc/80/78/27/621807827.db2.gz OBDHPWVLNPPJKQ-GFCCVEGCSA-N 2 1 252.427 3.186 20 0 CGADMP Fc1cccc(F)c1[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903784763 621808500 /nfs/dbraw/zinc/80/85/00/621808500.db2.gz RPWGBUYQYPPHBK-KGLIPLIRSA-N 2 1 294.389 3.144 20 0 CGADMP Fc1cccc(F)c1[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903784763 621808503 /nfs/dbraw/zinc/80/85/03/621808503.db2.gz RPWGBUYQYPPHBK-KGLIPLIRSA-N 2 1 294.389 3.144 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000903891778 621824088 /nfs/dbraw/zinc/82/40/88/621824088.db2.gz CUQAUMWRNGUOIF-CVEARBPZSA-N 2 1 296.405 3.456 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000903891778 621824092 /nfs/dbraw/zinc/82/40/92/621824092.db2.gz CUQAUMWRNGUOIF-CVEARBPZSA-N 2 1 296.405 3.456 20 0 CGADMP CC(C)[C@@H](C)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903872846 621824698 /nfs/dbraw/zinc/82/46/98/621824698.db2.gz KDKFHFNZGOESOK-FFHGMXDLSA-N 2 1 250.430 3.026 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903885928 621826911 /nfs/dbraw/zinc/82/69/11/621826911.db2.gz OWBZRALBXTWRJW-CQSZACIVSA-N 2 1 270.367 3.127 20 0 CGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903892553 621827346 /nfs/dbraw/zinc/82/73/46/621827346.db2.gz JOOYOVYPHGYORV-DZGCQCFKSA-N 2 1 270.367 3.298 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903897905 621829405 /nfs/dbraw/zinc/82/94/05/621829405.db2.gz KIOVLWMNSRLJGR-PQCNYSFFSA-N 2 1 284.447 3.395 20 0 CGADMP c1ccc(N[C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903899118 621830007 /nfs/dbraw/zinc/83/00/07/621830007.db2.gz RXOUUPRWDWLNNG-DQXYTYHJSA-N 2 1 299.462 3.094 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903923501 621833494 /nfs/dbraw/zinc/83/34/94/621833494.db2.gz VTXGEQDLXLNNNV-PWSUYJOCSA-N 2 1 288.407 3.432 20 0 CGADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903932195 621834674 /nfs/dbraw/zinc/83/46/74/621834674.db2.gz OBXDWLXRBFEEEA-YNEHKIRRSA-N 2 1 274.399 3.117 20 0 CGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC000903937492 621835708 /nfs/dbraw/zinc/83/57/08/621835708.db2.gz MCAVKVZAEHKPQA-ZBSSRIJBSA-N 2 1 270.420 3.136 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903916261 621835990 /nfs/dbraw/zinc/83/59/90/621835990.db2.gz GEDPQVQXUJLTGN-IAQYHMDHSA-N 2 1 298.352 3.105 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960016 621837395 /nfs/dbraw/zinc/83/73/95/621837395.db2.gz VCMIHNZSQFFZQE-LJQANCHMSA-N 2 1 295.430 3.200 20 0 CGADMP CCC1([NH3+])CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000903946457 621839892 /nfs/dbraw/zinc/83/98/92/621839892.db2.gz SCVWZMMAOYUXPU-UHFFFAOYSA-N 2 1 288.435 3.179 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC[NH2+]1 ZINC000903953395 621842459 /nfs/dbraw/zinc/84/24/59/621842459.db2.gz FEWHDVGSDUQTAS-MQYQWHSLSA-N 2 1 290.373 3.039 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973092 621843910 /nfs/dbraw/zinc/84/39/10/621843910.db2.gz OEMSLLNWGAFSCH-BBWFWOEESA-N 2 1 296.499 3.196 20 0 CGADMP C[N@@H+](CC1(c2ccccc2)CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904342646 621909870 /nfs/dbraw/zinc/90/98/70/621909870.db2.gz LZRGKLSZLJDBOI-KRWDZBQOSA-N 2 1 272.436 3.040 20 0 CGADMP Cc1ccccc1-c1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904451664 621923383 /nfs/dbraw/zinc/92/33/83/621923383.db2.gz ZACWRXBBMAWHQB-UHFFFAOYSA-N 2 1 266.388 3.243 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904469459 621924960 /nfs/dbraw/zinc/92/49/60/621924960.db2.gz MWMOVTUGNFXSEK-ALOPSCKCSA-N 2 1 272.436 3.266 20 0 CGADMP c1ncc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)o1 ZINC000906519474 622241909 /nfs/dbraw/zinc/24/19/09/622241909.db2.gz AMKMBSRUXBOZHI-IAGOWNOFSA-N 2 1 297.402 3.058 20 0 CGADMP c1ncc(-c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)o1 ZINC000906519474 622241911 /nfs/dbraw/zinc/24/19/11/622241911.db2.gz AMKMBSRUXBOZHI-IAGOWNOFSA-N 2 1 297.402 3.058 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906589482 622251122 /nfs/dbraw/zinc/25/11/22/622251122.db2.gz CIIUYFZKULLRKO-QGTPRVQTSA-N 2 1 290.426 3.345 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906589482 622251124 /nfs/dbraw/zinc/25/11/24/622251124.db2.gz CIIUYFZKULLRKO-QGTPRVQTSA-N 2 1 290.426 3.345 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906589932 622251336 /nfs/dbraw/zinc/25/13/36/622251336.db2.gz FBEJYFPSMMKGFI-IAGOWNOFSA-N 2 1 287.382 3.209 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906589932 622251341 /nfs/dbraw/zinc/25/13/41/622251341.db2.gz FBEJYFPSMMKGFI-IAGOWNOFSA-N 2 1 287.382 3.209 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(C)o1 ZINC000163567827 622340738 /nfs/dbraw/zinc/34/07/38/622340738.db2.gz OAIUERZNBIDKOM-AWEZNQCLSA-N 2 1 278.440 3.498 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000226541247 622980397 /nfs/dbraw/zinc/98/03/97/622980397.db2.gz PZQGKBNPMGTSAM-SDDRHHMPSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154792000 624368982 /nfs/dbraw/zinc/36/89/82/624368982.db2.gz ZAXSUINBFBGSKW-LBPRGKRZSA-N 2 1 282.378 3.299 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCC2(CCC2)O1 ZINC000930060737 624391889 /nfs/dbraw/zinc/39/18/89/624391889.db2.gz OPUJEOJKTIAUJD-MRXNPFEDSA-N 2 1 291.439 3.005 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCC2(CCC2)O1 ZINC000930060737 624391891 /nfs/dbraw/zinc/39/18/91/624391891.db2.gz OPUJEOJKTIAUJD-MRXNPFEDSA-N 2 1 291.439 3.005 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)C(C)(C)C ZINC000921749216 625862658 /nfs/dbraw/zinc/86/26/58/625862658.db2.gz NJFIQWMQJNAYJK-MRXNPFEDSA-N 2 1 292.471 3.064 20 0 CGADMP c1ccc(OCCCCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415137795 625931474 /nfs/dbraw/zinc/93/14/74/625931474.db2.gz JILXFZBEQMHLNC-SFHVURJKSA-N 2 1 288.435 3.064 20 0 CGADMP c1ccc(OCCCCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415137795 625931475 /nfs/dbraw/zinc/93/14/75/625931475.db2.gz JILXFZBEQMHLNC-SFHVURJKSA-N 2 1 288.435 3.064 20 0 CGADMP CCC[C@@H](C)C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000922627283 626022292 /nfs/dbraw/zinc/02/22/92/626022292.db2.gz HAFYCQWMFBTYOX-ZBFHGGJFSA-N 2 1 263.429 3.100 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC1(C)C ZINC000922947594 626105830 /nfs/dbraw/zinc/10/58/30/626105830.db2.gz AEEFADJRIKMGSB-KGLIPLIRSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923316575 626145116 /nfs/dbraw/zinc/14/51/16/626145116.db2.gz KRNJIAOMYDNGMD-PBHICJAKSA-N 2 1 258.409 3.007 20 0 CGADMP C[N@H+](CCc1ccc(F)cc1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923309932 626145856 /nfs/dbraw/zinc/14/58/56/626145856.db2.gz PXBNNXZPJXEWEO-ZNXRZULTSA-N 2 1 290.426 3.221 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@H+](C)CCC[NH2+]C2CC2)s1 ZINC000923324876 626146537 /nfs/dbraw/zinc/14/65/37/626146537.db2.gz MIVPURGEWNCVPT-LBPRGKRZSA-N 2 1 281.469 3.149 20 0 CGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CCC[NH2+]C2CC2)s1 ZINC000923324876 626146540 /nfs/dbraw/zinc/14/65/40/626146540.db2.gz MIVPURGEWNCVPT-LBPRGKRZSA-N 2 1 281.469 3.149 20 0 CGADMP CC(C)CCc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923502368 626158916 /nfs/dbraw/zinc/15/89/16/626158916.db2.gz WPYXQISFURZGPI-KGLIPLIRSA-N 2 1 295.496 3.148 20 0 CGADMP C(=C\[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1)\c1ccccc1 ZINC000923525014 626160997 /nfs/dbraw/zinc/16/09/97/626160997.db2.gz CKVBRQDCSVYROT-GNBGVQPESA-N 2 1 270.420 3.164 20 0 CGADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC[NH2+]CC1 ZINC000923525663 626161157 /nfs/dbraw/zinc/16/11/57/626161157.db2.gz JFIBHZCEVBSSCA-GOOCMWNKSA-N 2 1 286.410 3.274 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000840808297 626179452 /nfs/dbraw/zinc/17/94/52/626179452.db2.gz BAHWHYHDDBUQLZ-GXTWGEPZSA-N 2 1 293.842 3.044 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cncc3ccccc32)C1 ZINC000839181372 626326669 /nfs/dbraw/zinc/32/66/69/626326669.db2.gz HRRWRCUNCMQSMS-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCCCCCC2)C1 ZINC000839183494 626327202 /nfs/dbraw/zinc/32/72/02/626327202.db2.gz XIFYJMBURFGKGK-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000754785648 626587429 /nfs/dbraw/zinc/58/74/29/626587429.db2.gz MZMSPPJEWUNJPE-COXVUDFISA-N 2 1 276.399 3.146 20 0 CGADMP C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000757882499 626812640 /nfs/dbraw/zinc/81/26/40/626812640.db2.gz PXRQNVYHTRNWOX-HNNXBMFYSA-N 2 1 283.419 3.336 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)CC1 ZINC000759967430 626933308 /nfs/dbraw/zinc/93/33/08/626933308.db2.gz PMWNATNUXLMCEI-IRXDYDNUSA-N 2 1 272.436 3.133 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000764655346 627216647 /nfs/dbraw/zinc/21/66/47/627216647.db2.gz UEXCCESENBYBPZ-ZDUSSCGKSA-N 2 1 272.502 3.371 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000765758415 627269183 /nfs/dbraw/zinc/26/91/83/627269183.db2.gz MBMHPVPEMIBLBD-KGLIPLIRSA-N 2 1 289.398 3.188 20 0 CGADMP C[NH+](C)CCCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000766997660 627375613 /nfs/dbraw/zinc/37/56/13/627375613.db2.gz AXOGTEMHXUADFU-RAXLEYEMSA-N 2 1 279.255 3.359 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc3ccccc32)[C@@H](C)C1 ZINC000769484016 627559154 /nfs/dbraw/zinc/55/91/54/627559154.db2.gz JEVASFIECZNIIU-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc3ccccc32)[C@@H](C)C1 ZINC000769484016 627559157 /nfs/dbraw/zinc/55/91/57/627559157.db2.gz JEVASFIECZNIIU-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc3ccccc32)[C@@H](C)C1 ZINC000769484016 627559160 /nfs/dbraw/zinc/55/91/60/627559160.db2.gz JEVASFIECZNIIU-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc3ccccc32)[C@H](C)C1 ZINC000769484013 627559330 /nfs/dbraw/zinc/55/93/30/627559330.db2.gz JEVASFIECZNIIU-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc3ccccc32)[C@H](C)C1 ZINC000769484013 627559333 /nfs/dbraw/zinc/55/93/33/627559333.db2.gz JEVASFIECZNIIU-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc3ccccc32)[C@H](C)C1 ZINC000769484013 627559335 /nfs/dbraw/zinc/55/93/35/627559335.db2.gz JEVASFIECZNIIU-BEFAXECRSA-N 2 1 297.446 3.397 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299373 628480194 /nfs/dbraw/zinc/48/01/94/628480194.db2.gz RVWVTTWEZHDNMA-SCTDSRPQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299373 628480198 /nfs/dbraw/zinc/48/01/98/628480198.db2.gz RVWVTTWEZHDNMA-SCTDSRPQSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299373 628480201 /nfs/dbraw/zinc/48/02/01/628480201.db2.gz RVWVTTWEZHDNMA-SCTDSRPQSA-N 2 1 284.447 3.133 20 0 CGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)CCCO2 ZINC000788258096 629043450 /nfs/dbraw/zinc/04/34/50/629043450.db2.gz TVGCZJSBPICEKK-QGZVFWFLSA-N 2 1 299.418 3.029 20 0 CGADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H](c2ccco2)C1 ZINC000788481177 629058164 /nfs/dbraw/zinc/05/81/64/629058164.db2.gz FLKLVJYSUQZWJF-HOCLYGCPSA-N 2 1 276.424 3.394 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790049553 629179992 /nfs/dbraw/zinc/17/99/92/629179992.db2.gz NZAVOWGEJDQDKK-GDBMZVCRSA-N 2 1 260.425 3.036 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790049553 629179995 /nfs/dbraw/zinc/17/99/95/629179995.db2.gz NZAVOWGEJDQDKK-GDBMZVCRSA-N 2 1 260.425 3.036 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000862483868 629386252 /nfs/dbraw/zinc/38/62/52/629386252.db2.gz ZRGCCRYPRMFWOY-ZDUSSCGKSA-N 2 1 298.833 3.343 20 0 CGADMP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc(Cl)n1 ZINC000797603391 629968885 /nfs/dbraw/zinc/96/88/85/629968885.db2.gz JFSUWWGBMJDOLR-UHFFFAOYSA-N 2 1 293.842 3.104 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc(Cl)n1 ZINC000797603391 629968895 /nfs/dbraw/zinc/96/88/95/629968895.db2.gz JFSUWWGBMJDOLR-UHFFFAOYSA-N 2 1 293.842 3.104 20 0 CGADMP CC1(C)CC([NH2+]Cc2cnc(Cl)c(F)c2)CC(C)(C)[NH2+]1 ZINC000865403674 630105713 /nfs/dbraw/zinc/10/57/13/630105713.db2.gz LNAXRQVERILEAR-UHFFFAOYSA-N 2 1 299.821 3.273 20 0 CGADMP Fc1cccc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)cnc12 ZINC000865406320 630107244 /nfs/dbraw/zinc/10/72/44/630107244.db2.gz PPPULIXOTGVFEM-UHFFFAOYSA-N 2 1 299.393 3.090 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000810261934 630861514 /nfs/dbraw/zinc/86/15/14/630861514.db2.gz HNVSXFFEGKULJG-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000810261934 630861518 /nfs/dbraw/zinc/86/15/18/630861518.db2.gz HNVSXFFEGKULJG-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCSC(C)(C)C)C2 ZINC000878661350 635596317 /nfs/dbraw/zinc/59/63/17/635596317.db2.gz BNXWOCYHLLOUDF-INIZCTEOSA-N 2 1 284.513 3.326 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCSC(C)(C)C)C2 ZINC000878661350 635596323 /nfs/dbraw/zinc/59/63/23/635596323.db2.gz BNXWOCYHLLOUDF-INIZCTEOSA-N 2 1 284.513 3.326 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCSC(C)(C)C)C2 ZINC000878661350 635596329 /nfs/dbraw/zinc/59/63/29/635596329.db2.gz BNXWOCYHLLOUDF-INIZCTEOSA-N 2 1 284.513 3.326 20 0 CGADMP c1csc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000843386385 635657017 /nfs/dbraw/zinc/65/70/17/635657017.db2.gz GURAEDHIWHENHW-GJZGRUSLSA-N 2 1 278.465 3.002 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000815583478 631800633 /nfs/dbraw/zinc/80/06/33/631800633.db2.gz HEGCTHZODXBNMS-IPYPFGDCSA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000815583478 631800639 /nfs/dbraw/zinc/80/06/39/631800639.db2.gz HEGCTHZODXBNMS-IPYPFGDCSA-N 2 1 264.388 3.267 20 0 CGADMP N[C@H]1CCCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900261 632231147 /nfs/dbraw/zinc/23/11/47/632231147.db2.gz LTJDYLDQROVVRZ-FOIPXRHGSA-N 2 1 293.499 3.033 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c(C)s1 ZINC000817948014 632244217 /nfs/dbraw/zinc/24/42/17/632244217.db2.gz IHKJHSVZHTYSCU-LLVKDONJSA-N 2 1 289.448 3.112 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000817957774 632252320 /nfs/dbraw/zinc/25/23/20/632252320.db2.gz DTAHWTNZLRJVND-ZJIFWQFVSA-N 2 1 252.446 3.308 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1Cl ZINC000817958645 632253758 /nfs/dbraw/zinc/25/37/58/632253758.db2.gz KZTHBZMKUITESX-SMDDNHRTSA-N 2 1 284.831 3.291 20 0 CGADMP COc1c(C)cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1Cl ZINC000817959965 632256045 /nfs/dbraw/zinc/25/60/45/632256045.db2.gz IZHDUIZQZSSBTE-HZMBPMFUSA-N 2 1 282.815 3.045 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817973584 632266218 /nfs/dbraw/zinc/26/62/18/632266218.db2.gz VJUIFJGJMURIBA-RNCFNFMXSA-N 2 1 286.391 3.316 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)nc1 ZINC000817984842 632274976 /nfs/dbraw/zinc/27/49/76/632274976.db2.gz ATCGWJAIPFIJPO-AAEUAGOBSA-N 2 1 279.815 3.060 20 0 CGADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cnc1Cl ZINC000818431371 632318136 /nfs/dbraw/zinc/31/81/36/632318136.db2.gz JYISLPYKMHRXPQ-ZDUSSCGKSA-N 2 1 293.842 3.007 20 0 CGADMP Cc1cccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000879701823 635839324 /nfs/dbraw/zinc/83/93/24/635839324.db2.gz BVGWULBTRHXNHO-UHFFFAOYSA-N 2 1 289.467 3.190 20 0 CGADMP CC(C)C[N@@H+](CCCCCF)CC1CC[NH+](C)CC1 ZINC000879703693 635839446 /nfs/dbraw/zinc/83/94/46/635839446.db2.gz UFRCAUJGPGEMCT-UHFFFAOYSA-N 2 1 272.452 3.426 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC1(C)C ZINC000865830911 632904983 /nfs/dbraw/zinc/90/49/83/632904983.db2.gz VZBDSUJVXVJFOE-JHJVBQTASA-N 2 1 290.373 3.346 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822654927 632996744 /nfs/dbraw/zinc/99/67/44/632996744.db2.gz UMQCKZSWYYMXLN-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822654927 632996752 /nfs/dbraw/zinc/99/67/52/632996752.db2.gz UMQCKZSWYYMXLN-STQMWFEESA-N 2 1 293.282 3.234 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866261866 633049965 /nfs/dbraw/zinc/04/99/65/633049965.db2.gz XYFVYUJLQBZBTJ-NXHRZFHOSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866261863 633050246 /nfs/dbraw/zinc/05/02/46/633050246.db2.gz XYFVYUJLQBZBTJ-BPQIPLTHSA-N 2 1 294.483 3.044 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000866316150 633080146 /nfs/dbraw/zinc/08/01/46/633080146.db2.gz WVNYZKFLCKKAEK-QGZVFWFLSA-N 2 1 274.383 3.055 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000866532529 633177075 /nfs/dbraw/zinc/17/70/75/633177075.db2.gz BPDDRXVEQZNVKA-XJFOESAGSA-N 2 1 290.373 3.203 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866584095 633204225 /nfs/dbraw/zinc/20/42/25/633204225.db2.gz MJZIHPFGDQNRDL-BPQIPLTHSA-N 2 1 272.436 3.034 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584095 633204229 /nfs/dbraw/zinc/20/42/29/633204229.db2.gz MJZIHPFGDQNRDL-BPQIPLTHSA-N 2 1 272.436 3.034 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584095 633204230 /nfs/dbraw/zinc/20/42/30/633204230.db2.gz MJZIHPFGDQNRDL-BPQIPLTHSA-N 2 1 272.436 3.034 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000866707108 633234229 /nfs/dbraw/zinc/23/42/29/633234229.db2.gz MCAGHBVVMXTFFB-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000866707108 633234232 /nfs/dbraw/zinc/23/42/32/633234232.db2.gz MCAGHBVVMXTFFB-INIZCTEOSA-N 2 1 282.378 3.162 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000866710326 633236091 /nfs/dbraw/zinc/23/60/91/633236091.db2.gz YLXBNIRDMWWFJI-OCCSQVGLSA-N 2 1 274.399 3.119 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+]1CCCCC1 ZINC000872016186 633936788 /nfs/dbraw/zinc/93/67/88/633936788.db2.gz GSQCVTSWLJJBTH-MRXNPFEDSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCOC1 ZINC000872017395 633938867 /nfs/dbraw/zinc/93/88/67/633938867.db2.gz AVNRHSWYCDTQPW-IKGGRYGDSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)CC ZINC000872022432 633943430 /nfs/dbraw/zinc/94/34/30/633943430.db2.gz WOUYTXYZAYVJPD-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872024080 633945172 /nfs/dbraw/zinc/94/51/72/633945172.db2.gz YFHCPGRFNNKRIJ-QGZVFWFLSA-N 2 1 297.531 3.209 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872037957 633958013 /nfs/dbraw/zinc/95/80/13/633958013.db2.gz HMQASUUJHJDCQR-INIZCTEOSA-N 2 1 291.439 3.053 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)CC ZINC000872075217 633998435 /nfs/dbraw/zinc/99/84/35/633998435.db2.gz ANYNSUFRHAXTQU-DKUMPPAJSA-N 2 1 252.446 3.416 20 0 CGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218027 636161265 /nfs/dbraw/zinc/16/12/65/636161265.db2.gz GQDITGUXOPUDJH-KRWDZBQOSA-N 2 1 290.451 3.221 20 0 CGADMP Clc1ncsc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143564 634064271 /nfs/dbraw/zinc/06/42/71/634064271.db2.gz STZGUAXTKLLRMX-NEPJUHHUSA-N 2 1 299.871 3.008 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1csc(-c2ccoc2)n1 ZINC000872155874 634066351 /nfs/dbraw/zinc/06/63/51/634066351.db2.gz ZIFSMUHLWNVIPD-UHFFFAOYSA-N 2 1 293.436 3.354 20 0 CGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)C1CCCC1 ZINC000872157529 634067908 /nfs/dbraw/zinc/06/79/08/634067908.db2.gz PHCYPXXUWVWCFF-YJBOKZPZSA-N 2 1 287.451 3.201 20 0 CGADMP c1c[nH+]c(C2CCN(c3cc[nH+]cc3C3CC3)CC2)[nH]1 ZINC000872433236 634143672 /nfs/dbraw/zinc/14/36/72/634143672.db2.gz HXBJYWOXODIYMR-UHFFFAOYSA-N 2 1 268.364 3.066 20 0 CGADMP c1c(C[N@H+]2CC[C@@H](C3CCC3)C2)sc2c1C[NH2+]CC2 ZINC000873212915 634286316 /nfs/dbraw/zinc/28/63/16/634286316.db2.gz CNUFKQKWYVEUED-CYBMUJFWSA-N 2 1 276.449 3.016 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000873224690 634290735 /nfs/dbraw/zinc/29/07/35/634290735.db2.gz GDTKSRQWEOQJIM-CQSZACIVSA-N 2 1 276.424 3.002 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000873224690 634290739 /nfs/dbraw/zinc/29/07/39/634290739.db2.gz GDTKSRQWEOQJIM-CQSZACIVSA-N 2 1 276.424 3.002 20 0 CGADMP Cc1ccc2cc(C[N@@H+](C)CCCCCC[NH3+])ccc2n1 ZINC000873231553 634294652 /nfs/dbraw/zinc/29/46/52/634294652.db2.gz OANJHIJMIBABIK-UHFFFAOYSA-N 2 1 285.435 3.494 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000876731459 634887739 /nfs/dbraw/zinc/88/77/39/634887739.db2.gz RCGUJFOTCPEVPE-CYBMUJFWSA-N 2 1 266.816 3.032 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000876731459 634887741 /nfs/dbraw/zinc/88/77/41/634887741.db2.gz RCGUJFOTCPEVPE-CYBMUJFWSA-N 2 1 266.816 3.032 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC000876731789 634888523 /nfs/dbraw/zinc/88/85/23/634888523.db2.gz UZWPYUMPVYZRHS-INIZCTEOSA-N 2 1 290.451 3.247 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC000876731789 634888524 /nfs/dbraw/zinc/88/85/24/634888524.db2.gz UZWPYUMPVYZRHS-INIZCTEOSA-N 2 1 290.451 3.247 20 0 CGADMP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000877525334 635071427 /nfs/dbraw/zinc/07/14/27/635071427.db2.gz ZPIOEPDQDBGUOA-SJLPKXTDSA-N 2 1 274.452 3.246 20 0 CGADMP [NH3+]CCc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000841035548 635111387 /nfs/dbraw/zinc/11/13/87/635111387.db2.gz KLFAWRSWJUKTRH-UHFFFAOYSA-N 2 1 292.785 3.270 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877739042 635173005 /nfs/dbraw/zinc/17/30/05/635173005.db2.gz DULMJERLOIFFGV-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000877739042 635173008 /nfs/dbraw/zinc/17/30/08/635173008.db2.gz DULMJERLOIFFGV-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000877739042 635173011 /nfs/dbraw/zinc/17/30/11/635173011.db2.gz DULMJERLOIFFGV-BPQIPLTHSA-N 2 1 272.436 3.206 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741097 635177374 /nfs/dbraw/zinc/17/73/74/635177374.db2.gz UYPUKTFKFXFNPE-BPQIPLTHSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877741097 635177382 /nfs/dbraw/zinc/17/73/82/635177382.db2.gz UYPUKTFKFXFNPE-BPQIPLTHSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877741097 635177385 /nfs/dbraw/zinc/17/73/85/635177385.db2.gz UYPUKTFKFXFNPE-BPQIPLTHSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000877742070 635178232 /nfs/dbraw/zinc/17/82/32/635178232.db2.gz OFRFWCOZRCGGRD-KMFMINBZSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1cccc(Cl)c1 ZINC000877742070 635178238 /nfs/dbraw/zinc/17/82/38/635178238.db2.gz OFRFWCOZRCGGRD-KMFMINBZSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1cccc(Cl)c1 ZINC000877742070 635178243 /nfs/dbraw/zinc/17/82/43/635178243.db2.gz OFRFWCOZRCGGRD-KMFMINBZSA-N 2 1 292.854 3.470 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC000877742070 635178266 /nfs/dbraw/zinc/17/82/66/635178266.db2.gz OFRFWCOZRCGGRD-KMFMINBZSA-N 2 1 292.854 3.470 20 0 CGADMP CCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743633 635179421 /nfs/dbraw/zinc/17/94/21/635179421.db2.gz LQBBGCXWKSKKKG-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743633 635179425 /nfs/dbraw/zinc/17/94/25/635179425.db2.gz LQBBGCXWKSKKKG-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743633 635179430 /nfs/dbraw/zinc/17/94/30/635179430.db2.gz LQBBGCXWKSKKKG-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877743633 635179434 /nfs/dbraw/zinc/17/94/34/635179434.db2.gz LQBBGCXWKSKKKG-SJLPKXTDSA-N 2 1 288.435 3.001 20 0 CGADMP CC[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877744455 635179857 /nfs/dbraw/zinc/17/98/57/635179857.db2.gz TYSRXFHENUZPJK-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000877744455 635179861 /nfs/dbraw/zinc/17/98/61/635179861.db2.gz TYSRXFHENUZPJK-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CC[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000877744455 635179863 /nfs/dbraw/zinc/17/98/63/635179863.db2.gz TYSRXFHENUZPJK-NXHRZFHOSA-N 2 1 272.436 3.206 20 0 CGADMP CC(C)C[N@H+](Cc1ccc(F)cn1)CC1CC[NH+](C)CC1 ZINC000877767503 635193322 /nfs/dbraw/zinc/19/33/22/635193322.db2.gz LCABJPLBWFOIHN-UHFFFAOYSA-N 2 1 293.430 3.021 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])C1(C)C ZINC000842473508 635377693 /nfs/dbraw/zinc/37/76/93/635377693.db2.gz WREPZUCJINHLRH-LSDHHAIUSA-N 2 1 270.461 3.031 20 0 CGADMP CC(C)Cc1ncc(C[N@@H+](C)C2CCC([NH3+])CC2)s1 ZINC000843055662 635553462 /nfs/dbraw/zinc/55/34/62/635553462.db2.gz JZSXFOIVTJXAJC-UHFFFAOYSA-N 2 1 281.469 3.043 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843056070 635553491 /nfs/dbraw/zinc/55/34/91/635553491.db2.gz XESGMQZGCIKVTG-UHFFFAOYSA-N 2 1 290.451 3.423 20 0 CGADMP C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CCC([NH3+])CC1 ZINC000843055729 635553836 /nfs/dbraw/zinc/55/38/36/635553836.db2.gz LZLQNZNNDLRVTK-UHFFFAOYSA-N 2 1 298.377 3.032 20 0 CGADMP COc1cccc2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)oc21 ZINC000843112255 635560678 /nfs/dbraw/zinc/56/06/78/635560678.db2.gz FDKNNLWTMHNQJE-CYBMUJFWSA-N 2 1 288.391 3.002 20 0 CGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1scnc1Cl)CC2 ZINC000879251413 635736812 /nfs/dbraw/zinc/73/68/12/635736812.db2.gz VVXJORHEXZUXAH-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573680 635813686 /nfs/dbraw/zinc/81/36/86/635813686.db2.gz PORRWJJMPWNSEB-RDJZCZTQSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cc2cnccc2o1 ZINC000879712268 635840232 /nfs/dbraw/zinc/84/02/32/635840232.db2.gz IMNSTKOWRCVIIS-HIFRSBDPSA-N 2 1 287.407 3.353 20 0 CGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cc2cnccc2o1 ZINC000879712268 635840239 /nfs/dbraw/zinc/84/02/39/635840239.db2.gz IMNSTKOWRCVIIS-HIFRSBDPSA-N 2 1 287.407 3.353 20 0 CGADMP CC(C)OC1CC([NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000879950743 635885495 /nfs/dbraw/zinc/88/54/95/635885495.db2.gz BAFXSSJAUGWWTF-UHFFFAOYSA-N 2 1 294.483 3.283 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccs1 ZINC000880516907 636013106 /nfs/dbraw/zinc/01/31/06/636013106.db2.gz DDJFYZADHLCWDJ-UHFFFAOYSA-N 2 1 266.454 3.446 20 0 CGADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCCCC[NH3+] ZINC000846219312 636162301 /nfs/dbraw/zinc/16/23/01/636162301.db2.gz NUVSHFJJIZYZQG-WMZOPIPTSA-N 2 1 274.452 3.459 20 0 CGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCCCC[NH3+] ZINC000846218998 636162338 /nfs/dbraw/zinc/16/23/38/636162338.db2.gz BZXFOURQJWKJHJ-NVXWUHKLSA-N 2 1 260.425 3.384 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)cn1 ZINC000882905652 636455735 /nfs/dbraw/zinc/45/57/35/636455735.db2.gz OFRALJUKTDQVQJ-SCAQPMJSSA-N 2 1 296.418 3.244 20 0 CGADMP C[C@H](Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883345457 636690438 /nfs/dbraw/zinc/69/04/38/636690438.db2.gz COOSOKVIVWDFIE-KBXCAEBGSA-N 2 1 285.435 3.181 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000849063807 636737486 /nfs/dbraw/zinc/73/74/86/636737486.db2.gz OVTQNOANOMBWEX-MRXNPFEDSA-N 2 1 294.487 3.088 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424242 636751590 /nfs/dbraw/zinc/75/15/90/636751590.db2.gz LOWZWFGFJKBOFL-ICIURTGMSA-N 2 1 272.383 3.027 20 0 CGADMP CC1(C)C[C@H](C[NH2+][C@@H](C[NH3+])C2CCCCC2)C(C)(C)O1 ZINC000883430370 636753270 /nfs/dbraw/zinc/75/32/70/636753270.db2.gz UABHKTNFINLIIX-CABCVRRESA-N 2 1 282.472 3.077 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C)CC[NH2+]CC2 ZINC000883433976 636754561 /nfs/dbraw/zinc/75/45/61/636754561.db2.gz DEJNZYJLIAPHFH-CABCVRRESA-N 2 1 294.483 3.044 20 0 CGADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000883461996 636760610 /nfs/dbraw/zinc/76/06/10/636760610.db2.gz HSCPWLMKQFMKLC-VKJFTORMSA-N 2 1 270.420 3.310 20 0 CGADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000883462034 636760911 /nfs/dbraw/zinc/76/09/11/636760911.db2.gz IOKABTJBBIQHOT-YOEHRIQHSA-N 2 1 258.409 3.440 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000850359404 637027854 /nfs/dbraw/zinc/02/78/54/637027854.db2.gz GZDCAQIQGCVKPU-NXHRZFHOSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000850359404 637027860 /nfs/dbraw/zinc/02/78/60/637027860.db2.gz GZDCAQIQGCVKPU-NXHRZFHOSA-N 2 1 270.420 3.348 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886505231 637545122 /nfs/dbraw/zinc/54/51/22/637545122.db2.gz QSOPZISRPMNHKA-HLLBOEOZSA-N 2 1 287.451 3.027 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886505231 637545132 /nfs/dbraw/zinc/54/51/32/637545132.db2.gz QSOPZISRPMNHKA-HLLBOEOZSA-N 2 1 287.451 3.027 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886612971 637604948 /nfs/dbraw/zinc/60/49/48/637604948.db2.gz ZQAGXADJCKBQRO-OAGGEKHMSA-N 2 1 270.461 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886612971 637604952 /nfs/dbraw/zinc/60/49/52/637604952.db2.gz ZQAGXADJCKBQRO-OAGGEKHMSA-N 2 1 270.461 3.044 20 0 CGADMP Cc1[nH]c(C2CC[NH+](CCc3ccncc3C)CC2)[nH+]c1C ZINC000886659765 637637336 /nfs/dbraw/zinc/63/73/36/637637336.db2.gz UZIOEBBIXREZRN-UHFFFAOYSA-N 2 1 298.434 3.152 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)[nH+]c1C ZINC000886662937 637638659 /nfs/dbraw/zinc/63/86/59/637638659.db2.gz PSNNOWRXFZTWIB-OAHLLOKOSA-N 2 1 291.439 3.164 20 0 CGADMP Fc1cccc(F)c1[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000886860012 637715615 /nfs/dbraw/zinc/71/56/15/637715615.db2.gz NOMHIJMFQNMVMD-AWEZNQCLSA-N 2 1 294.389 3.144 20 0 CGADMP CC[C@@H](CC(F)F)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134456 637755109 /nfs/dbraw/zinc/75/51/09/637755109.db2.gz KAKQDTMFMABDRY-KGLIPLIRSA-N 2 1 297.393 3.274 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)C1 ZINC000924704980 638392075 /nfs/dbraw/zinc/39/20/75/638392075.db2.gz JKRLEGXJXHVSFE-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)C1 ZINC000925011915 638436538 /nfs/dbraw/zinc/43/65/38/638436538.db2.gz STWWRRPBLCKDRR-QLFBSQMISA-N 2 1 252.446 3.133 20 0 CGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925501931 638513202 /nfs/dbraw/zinc/51/32/02/638513202.db2.gz DVJWCJFDPNAWKH-SLBVQIDZSA-N 2 1 278.465 3.339 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925553365 638527466 /nfs/dbraw/zinc/52/74/66/638527466.db2.gz PJAVLAQPDCSBGR-BRWVUGGUSA-N 3 1 295.515 3.137 20 0 CGADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](c1ccccc1)[C@H](C)N ZINC000925576717 638535936 /nfs/dbraw/zinc/53/59/36/638535936.db2.gz YILHVPFYEMDAGS-LVFSCSRESA-N 2 1 298.430 3.177 20 0 CGADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000925583438 638537192 /nfs/dbraw/zinc/53/71/92/638537192.db2.gz LCQGQSHVLWJILV-RYUDHWBXSA-N 2 1 279.453 3.016 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000925720320 638580791 /nfs/dbraw/zinc/58/07/91/638580791.db2.gz GJQAMMVRGNMPPD-DRZSPHRISA-N 2 1 287.234 3.248 20 0 CGADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000925736351 638589618 /nfs/dbraw/zinc/58/96/18/638589618.db2.gz MJQKXUWTCLIAFT-BBRMVZONSA-N 2 1 288.435 3.050 20 0 CGADMP CCC[C@@H](C)[C@H](CC)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747384 638595337 /nfs/dbraw/zinc/59/53/37/638595337.db2.gz HLQXHJZSHDYUTD-YPMHNXCESA-N 2 1 281.469 3.175 20 0 CGADMP CCCC[C@H](C)[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752261 638596969 /nfs/dbraw/zinc/59/69/69/638596969.db2.gz UOJHIDWEBPWBLC-RYUDHWBXSA-N 2 1 281.469 3.175 20 0 CGADMP CCCC[C@H](C)[C@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752261 638596973 /nfs/dbraw/zinc/59/69/73/638596973.db2.gz UOJHIDWEBPWBLC-RYUDHWBXSA-N 2 1 281.469 3.175 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000925756645 638599588 /nfs/dbraw/zinc/59/95/88/638599588.db2.gz NXAWHOQQZDIFMP-HNNXBMFYSA-N 2 1 298.434 3.137 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCC1 ZINC000925789600 638614727 /nfs/dbraw/zinc/61/47/27/638614727.db2.gz ALACINVFZHGGFI-IRXDYDNUSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000925805283 638617308 /nfs/dbraw/zinc/61/73/08/638617308.db2.gz RURKRBMETFFMJG-PXGUKHNGSA-N 2 1 258.409 3.101 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858100070 638628053 /nfs/dbraw/zinc/62/80/53/638628053.db2.gz IUCZDPJEOCTKIZ-MRXNPFEDSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858100070 638628055 /nfs/dbraw/zinc/62/80/55/638628055.db2.gz IUCZDPJEOCTKIZ-MRXNPFEDSA-N 2 1 290.451 3.436 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000858245875 638662934 /nfs/dbraw/zinc/66/29/34/638662934.db2.gz QNHPTSCGWIPNEV-HNNXBMFYSA-N 2 1 283.419 3.056 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858490315 638740814 /nfs/dbraw/zinc/74/08/14/638740814.db2.gz GEIAUFOBKFIYIB-MAUKXSAKSA-N 2 1 272.436 3.304 20 0 CGADMP CC[N@H+](CCC[NH2+][C@H](C)c1ccnnc1)C1CCCCC1 ZINC000926646828 638794543 /nfs/dbraw/zinc/79/45/43/638794543.db2.gz BNKLWWIJKJSFSB-OAHLLOKOSA-N 2 1 290.455 3.172 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccnnc1)C1CCCCC1 ZINC000926646828 638794544 /nfs/dbraw/zinc/79/45/44/638794544.db2.gz BNKLWWIJKJSFSB-OAHLLOKOSA-N 2 1 290.455 3.172 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccns2)CC1 ZINC000929297263 638916385 /nfs/dbraw/zinc/91/63/85/638916385.db2.gz QCIYOMBQOKDIAC-UHFFFAOYSA-N 2 1 295.496 3.130 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCC(C)(F)F)CC1 ZINC000929505705 638929548 /nfs/dbraw/zinc/92/95/48/638929548.db2.gz JLHYUUKZPHCZSZ-UHFFFAOYSA-N 2 1 276.415 3.474 20 0 CGADMP CCCC[N@@H+](CC[C@@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033857 639100591 /nfs/dbraw/zinc/10/05/91/639100591.db2.gz KUQKXLFEZLRIAB-CQSZACIVSA-N 2 1 284.488 3.169 20 0 CGADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC/C=C/c1ccccc1 ZINC000931718864 639196830 /nfs/dbraw/zinc/19/68/30/639196830.db2.gz GFQLVEHNHTZAOH-MXDAGHGGSA-N 2 1 270.420 3.258 20 0 CGADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC/C=C/c1ccccc1 ZINC000931718864 639196834 /nfs/dbraw/zinc/19/68/34/639196834.db2.gz GFQLVEHNHTZAOH-MXDAGHGGSA-N 2 1 270.420 3.258 20 0 CGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC/C=C/c1ccccc1 ZINC000931718864 639196839 /nfs/dbraw/zinc/19/68/39/639196839.db2.gz GFQLVEHNHTZAOH-MXDAGHGGSA-N 2 1 270.420 3.258 20 0 CGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC/C=C/c1ccccc1 ZINC000931718864 639196841 /nfs/dbraw/zinc/19/68/41/639196841.db2.gz GFQLVEHNHTZAOH-MXDAGHGGSA-N 2 1 270.420 3.258 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1cccc(Cl)c1 ZINC000933733037 639484595 /nfs/dbraw/zinc/48/45/95/639484595.db2.gz ZKULBJOTJRAGEU-JLJPHGGASA-N 2 1 292.854 3.327 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1cccc(Cl)c1 ZINC000933733037 639484597 /nfs/dbraw/zinc/48/45/97/639484597.db2.gz ZKULBJOTJRAGEU-JLJPHGGASA-N 2 1 292.854 3.327 20 0 CGADMP C[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1cccc(Cl)c1 ZINC000933733037 639484603 /nfs/dbraw/zinc/48/46/03/639484603.db2.gz ZKULBJOTJRAGEU-JLJPHGGASA-N 2 1 292.854 3.327 20 0 CGADMP C[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1cccc(Cl)c1 ZINC000933733037 639484608 /nfs/dbraw/zinc/48/46/08/639484608.db2.gz ZKULBJOTJRAGEU-JLJPHGGASA-N 2 1 292.854 3.327 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000081096060 640519025 /nfs/dbraw/zinc/51/90/25/640519025.db2.gz URQUSOZIEIRQRJ-AEFFLSMTSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000081096060 640519031 /nfs/dbraw/zinc/51/90/31/640519031.db2.gz URQUSOZIEIRQRJ-AEFFLSMTSA-N 2 1 290.451 3.036 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000081096060 640519040 /nfs/dbraw/zinc/51/90/40/640519040.db2.gz URQUSOZIEIRQRJ-AEFFLSMTSA-N 2 1 290.451 3.036 20 0 CGADMP Cc1ccc(OCCC[N@H+](C)C2CCC([NH3+])CC2)cc1C ZINC000091847792 640724989 /nfs/dbraw/zinc/72/49/89/640724989.db2.gz MUHUECNRMJTDDR-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250876211 640817749 /nfs/dbraw/zinc/81/77/49/640817749.db2.gz UDYHQGSHVHOMQV-QPBSCJPLSA-N 2 1 262.441 3.172 20 0 CGADMP C[C@H]([N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000251029424 640819943 /nfs/dbraw/zinc/81/99/43/640819943.db2.gz HUNQVCKVLKTPQA-AVOUXACISA-N 2 1 252.446 3.274 20 0 CGADMP Cc1cccc2cc[nH+]c(N(C)CC3CC[NH+](C)CC3)c12 ZINC001165045346 721938429 /nfs/dbraw/zinc/93/84/29/721938429.db2.gz ZGUCMMBEJQCCLF-UHFFFAOYSA-N 2 1 283.419 3.321 20 0 CGADMP CC(C)c1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)[nH+]c1 ZINC001155452751 805583372 /nfs/dbraw/zinc/58/33/72/805583372.db2.gz FWWLCXZQWHGCGX-OAHLLOKOSA-N 2 1 298.434 3.228 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc2[nH]ccc2c[nH+]1 ZINC001156929013 805756886 /nfs/dbraw/zinc/75/68/86/805756886.db2.gz RSRSAALUQZSXAQ-CYBMUJFWSA-N 2 1 272.396 3.239 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]C(C)(C)c1ccnc(Cl)c1 ZINC001157948407 805907357 /nfs/dbraw/zinc/90/73/57/805907357.db2.gz GSQCSUOOCXLDSW-UHFFFAOYSA-N 2 1 283.847 3.148 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1ccc(Cl)cc1 ZINC001253203421 806182862 /nfs/dbraw/zinc/18/28/62/806182862.db2.gz GYVYDCCGQUHRJK-HZPDHXFCSA-N 2 1 298.858 3.083 20 0 CGADMP Cc1c[nH+]c(N(Cc2ccccc2)C[C@H](C)C[NH3+])c(C)c1 ZINC001160661446 806293001 /nfs/dbraw/zinc/29/30/01/806293001.db2.gz GWCCISAUOVVNEL-OAHLLOKOSA-N 2 1 283.419 3.300 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC001254501816 806423023 /nfs/dbraw/zinc/42/30/23/806423023.db2.gz YLMJXEJXLSFYLZ-SFHVURJKSA-N 2 1 268.404 3.414 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccc1F ZINC001254505897 806426024 /nfs/dbraw/zinc/42/60/24/806426024.db2.gz LEVUMIHUNJSQAB-CJNGLKHVSA-N 2 1 264.388 3.351 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccc1F ZINC001254505897 806426030 /nfs/dbraw/zinc/42/60/30/806426030.db2.gz LEVUMIHUNJSQAB-CJNGLKHVSA-N 2 1 264.388 3.351 20 0 CGADMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2cccc3ccccc32)CC1 ZINC001254509441 806430465 /nfs/dbraw/zinc/43/04/65/806430465.db2.gz NOEBMLIISIWSRK-HNNXBMFYSA-N 2 1 281.403 3.239 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(CC3CCC3)CCOCC2)CC1 ZINC001254511521 806431412 /nfs/dbraw/zinc/43/14/12/806431412.db2.gz BKWNYSQFQATTNU-QGZVFWFLSA-N 2 1 294.483 3.047 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)CC1 ZINC001254513455 806433444 /nfs/dbraw/zinc/43/34/44/806433444.db2.gz ZQKXQHWNPSQCKZ-LLVKDONJSA-N 2 1 266.351 3.039 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)CC1 ZINC001254514127 806434303 /nfs/dbraw/zinc/43/43/03/806434303.db2.gz JFCFJECPHLUHLX-IAGOWNOFSA-N 2 1 272.436 3.180 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525468 806439747 /nfs/dbraw/zinc/43/97/47/806439747.db2.gz JHDAQFNRNMGISC-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525468 806439750 /nfs/dbraw/zinc/43/97/50/806439750.db2.gz JHDAQFNRNMGISC-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525468 806439753 /nfs/dbraw/zinc/43/97/53/806439753.db2.gz JHDAQFNRNMGISC-WBVHZDCISA-N 2 1 276.399 3.099 20 0 CGADMP C[N@@H+](CCc1ccccc1Cl)[C@@H]1CCC[NH+](C)CC1 ZINC001254527506 806442696 /nfs/dbraw/zinc/44/26/96/806442696.db2.gz YRXZBYOTMKULHQ-OAHLLOKOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccccc1Cl)[C@@H]1CCC[N@H+](C)CC1 ZINC001254527506 806442697 /nfs/dbraw/zinc/44/26/97/806442697.db2.gz YRXZBYOTMKULHQ-OAHLLOKOSA-N 2 1 280.843 3.299 20 0 CGADMP C[NH+](CCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254527506 806442700 /nfs/dbraw/zinc/44/27/00/806442700.db2.gz YRXZBYOTMKULHQ-OAHLLOKOSA-N 2 1 280.843 3.299 20 0 CGADMP Cc1cc[nH+]c2cc(N[C@@H]3CCC[C@H]([NH3+])C3)ccc12 ZINC001162400101 806576291 /nfs/dbraw/zinc/57/62/91/806576291.db2.gz GCFIMCCOKOAJMS-QWHCGFSZSA-N 2 1 255.365 3.225 20 0 CGADMP [NH3+]Cc1cccn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255385320 806630044 /nfs/dbraw/zinc/63/00/44/806630044.db2.gz GKBNUCHFNHXRJY-KRWDZBQOSA-N 2 1 283.419 3.174 20 0 CGADMP c1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)co1 ZINC001255385089 806630932 /nfs/dbraw/zinc/63/09/32/806630932.db2.gz DQJZGPDQILJJAG-GOSISDBHSA-N 2 1 284.403 3.424 20 0 CGADMP c1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)co1 ZINC001255385089 806630935 /nfs/dbraw/zinc/63/09/35/806630935.db2.gz DQJZGPDQILJJAG-GOSISDBHSA-N 2 1 284.403 3.424 20 0 CGADMP CC1(C)C[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389470 806633228 /nfs/dbraw/zinc/63/32/28/806633228.db2.gz MZGUTAILXXBAHN-IAGOWNOFSA-N 2 1 272.436 3.429 20 0 CGADMP Cc1cc[nH+]c2cc(N[C@@]34CCC[C@@H]3[NH2+]CC4)ccc12 ZINC001162983259 806690543 /nfs/dbraw/zinc/69/05/43/806690543.db2.gz ULRYTIMDMIAJST-DLBZAZTESA-N 2 1 267.376 3.240 20 0 CGADMP C[N@H+](CCC[NH2+]Cc1cccs1)C1CCCCC1 ZINC000037860297 798876591 /nfs/dbraw/zinc/87/65/91/798876591.db2.gz IDXAGTKNWPTYNQ-UHFFFAOYSA-N 2 1 266.454 3.492 20 0 CGADMP C[N@@H+](CCC[NH2+]Cc1cccs1)C1CCCCC1 ZINC000037860297 798876595 /nfs/dbraw/zinc/87/65/95/798876595.db2.gz IDXAGTKNWPTYNQ-UHFFFAOYSA-N 2 1 266.454 3.492 20 0 CGADMP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC000037997526 798883400 /nfs/dbraw/zinc/88/34/00/798883400.db2.gz COVQYAYHGYZNSK-CYBMUJFWSA-N 2 1 282.378 3.176 20 0 CGADMP CCC[N@H+]1CC[C@H](CNCc2cnc(C(C)(C)C)s2)C1 ZINC000067975707 798911271 /nfs/dbraw/zinc/91/12/71/798911271.db2.gz FBXAYNHFXWOPKE-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000067975707 798911277 /nfs/dbraw/zinc/91/12/77/798911277.db2.gz FBXAYNHFXWOPKE-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000067975707 798911279 /nfs/dbraw/zinc/91/12/79/798911279.db2.gz FBXAYNHFXWOPKE-CYBMUJFWSA-N 2 1 295.496 3.262 20 0 CGADMP Cc1ccc2c(C)cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)[nH+]c2c1 ZINC001163261731 806733214 /nfs/dbraw/zinc/73/32/14/806733214.db2.gz KZVNPNIUNMWCSK-KBMXLJTQSA-N 2 1 281.403 3.262 20 0 CGADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001255750289 806733737 /nfs/dbraw/zinc/73/37/37/806733737.db2.gz MOWBRKYMGTUUDS-HOTGVXAUSA-N 2 1 292.492 3.407 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421861476 799597107 /nfs/dbraw/zinc/59/71/07/799597107.db2.gz VXDQFZMYFISKLE-RDJZCZTQSA-N 2 1 289.467 3.039 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421861476 799597112 /nfs/dbraw/zinc/59/71/12/799597112.db2.gz VXDQFZMYFISKLE-RDJZCZTQSA-N 2 1 289.467 3.039 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000469993966 799646658 /nfs/dbraw/zinc/64/66/58/799646658.db2.gz VTWXCDIHDXIMPO-YOEHRIQHSA-N 2 1 274.452 3.196 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000469993966 799646660 /nfs/dbraw/zinc/64/66/60/799646660.db2.gz VTWXCDIHDXIMPO-YOEHRIQHSA-N 2 1 274.452 3.196 20 0 CGADMP CC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699262545 799859611 /nfs/dbraw/zinc/85/96/11/799859611.db2.gz CSRGRFWNBRIZEX-WZYMTQMTSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)C1CCC(C[NH2+]CCC[NH+]2CCC2)CC1 ZINC000700050555 799867802 /nfs/dbraw/zinc/86/78/02/799867802.db2.gz QKXXWFKSMVGFDN-UHFFFAOYSA-N 2 1 252.446 3.134 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC001255945435 806792247 /nfs/dbraw/zinc/79/22/47/806792247.db2.gz FQZTZHRNCRQKAJ-XJKSGUPXSA-N 2 1 298.858 3.083 20 0 CGADMP Cc1cc(C)[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000708033195 799983615 /nfs/dbraw/zinc/98/36/15/799983615.db2.gz NIGRDWFBZXCRDA-OAHLLOKOSA-N 2 1 261.413 3.375 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708848593 799996432 /nfs/dbraw/zinc/99/64/32/799996432.db2.gz FZYUHGDTKXQEBN-BRWVUGGUSA-N 2 1 264.457 3.419 20 0 CGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000709821514 800020975 /nfs/dbraw/zinc/02/09/75/800020975.db2.gz XDNQBONYGJZDEO-UHTWSYAYSA-N 2 1 284.325 3.017 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCc2cc(C)ncc21 ZINC001255954154 806796926 /nfs/dbraw/zinc/79/69/26/806796926.db2.gz SWCCZFAPIKILDI-CXAGYDPISA-N 2 1 275.440 3.087 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CCC2)CC1 ZINC001255956817 806798473 /nfs/dbraw/zinc/79/84/73/806798473.db2.gz MOLSMHIDMVHLLA-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)CO2)[C@@H]1CCC[NH3+] ZINC000713596312 800113132 /nfs/dbraw/zinc/11/31/32/800113132.db2.gz LCSLMVLCJWGVOF-OWCLPIDISA-N 2 1 282.472 3.031 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000714302633 800118059 /nfs/dbraw/zinc/11/80/59/800118059.db2.gz GAQPEGXXKWGUSQ-FVQBIDKESA-N 2 1 250.430 3.029 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000714314600 800119842 /nfs/dbraw/zinc/11/98/42/800119842.db2.gz ITNQORIRPYUFCX-MWDXBVQZSA-N 2 1 264.457 3.419 20 0 CGADMP C/C=C/C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716691637 800178523 /nfs/dbraw/zinc/17/85/23/800178523.db2.gz IRUTYWDVODMNPL-MRJGYAATSA-N 2 1 270.420 3.205 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000717462648 800201781 /nfs/dbraw/zinc/20/17/81/800201781.db2.gz IWJOTFJULMGPTF-CJNGLKHVSA-N 2 1 264.457 3.418 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076508 806812596 /nfs/dbraw/zinc/81/25/96/806812596.db2.gz HALWYIQOWLIBTP-AWEZNQCLSA-N 2 1 288.410 3.242 20 0 CGADMP Fc1ccccc1[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076508 806812605 /nfs/dbraw/zinc/81/26/05/806812605.db2.gz HALWYIQOWLIBTP-AWEZNQCLSA-N 2 1 288.410 3.242 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000718751430 800221410 /nfs/dbraw/zinc/22/14/10/800221410.db2.gz JSOBURVLEWQEEA-GVDBMIGSSA-N 2 1 282.472 3.188 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H](OC)CC1)[NH+](C)C ZINC000718753645 800221722 /nfs/dbraw/zinc/22/17/22/800221722.db2.gz PEQOBJFDWDVCPG-ULQDDVLXSA-N 2 1 284.488 3.290 20 0 CGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720873155 800269878 /nfs/dbraw/zinc/26/98/78/800269878.db2.gz SNFBNGWNXDWWPF-MELADBBJSA-N 2 1 286.341 3.207 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC000720890927 800270872 /nfs/dbraw/zinc/27/08/72/800270872.db2.gz XQPXABVUUSJMDD-KGLIPLIRSA-N 2 1 292.389 3.416 20 0 CGADMP C[C@H]1CC([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C[C@H](C)C1 ZINC000721501277 800290467 /nfs/dbraw/zinc/29/04/67/800290467.db2.gz GQLDOCLWUUBRHZ-HBUWYVDXSA-N 2 1 272.436 3.197 20 0 CGADMP C[C@H]1CC([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])C[C@H](C)C1 ZINC000721501277 800290472 /nfs/dbraw/zinc/29/04/72/800290472.db2.gz GQLDOCLWUUBRHZ-HBUWYVDXSA-N 2 1 272.436 3.197 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CCCC1 ZINC000721620397 800298528 /nfs/dbraw/zinc/29/85/28/800298528.db2.gz QCENQZKIXAIWCW-LSDHHAIUSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[C@@H](CC)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721640356 800298876 /nfs/dbraw/zinc/29/88/76/800298876.db2.gz KEHXXHJOVWCBNI-IAGOWNOFSA-N 2 1 260.425 3.341 20 0 CGADMP CCCC[C@@H](CC)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721640356 800298880 /nfs/dbraw/zinc/29/88/80/800298880.db2.gz KEHXXHJOVWCBNI-IAGOWNOFSA-N 2 1 260.425 3.341 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000723608837 800329826 /nfs/dbraw/zinc/32/98/26/800329826.db2.gz SBDZJADQTCSYHG-GCSSGZNBSA-N 2 1 250.430 3.075 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723670733 800337250 /nfs/dbraw/zinc/33/72/50/800337250.db2.gz JEJVRUVQTPGRQM-VXGBXAGGSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723675259 800337275 /nfs/dbraw/zinc/33/72/75/800337275.db2.gz VZZUWCZDYJTNEV-RYUDHWBXSA-N 2 1 297.240 3.181 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CC1 ZINC001256200584 806847695 /nfs/dbraw/zinc/84/76/95/806847695.db2.gz XBTDGZIBWPCENR-NBMJBFSESA-N 2 1 284.447 3.253 20 0 CGADMP CCc1ccc[nH+]c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163908877 806849537 /nfs/dbraw/zinc/84/95/37/806849537.db2.gz NGZLFFBMJJEHQK-UHFFFAOYSA-N 2 1 296.418 3.118 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC(OCC)CC1 ZINC001256424416 806892792 /nfs/dbraw/zinc/89/27/92/806892792.db2.gz KJMWRXZZXVLEAD-UHFFFAOYSA-N 2 1 270.461 3.046 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(OCC)CC1 ZINC001256424416 806892800 /nfs/dbraw/zinc/89/28/00/806892800.db2.gz KJMWRXZZXVLEAD-UHFFFAOYSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1c[nH+]c(N(CCC[NH3+])C(C)C)c2ccccc12 ZINC001164123134 806897045 /nfs/dbraw/zinc/89/70/45/806897045.db2.gz WEYQQUYRLFCFMI-UHFFFAOYSA-N 2 1 257.381 3.107 20 0 CGADMP C[C@H]1C[C@H](n2cccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256522688 806909687 /nfs/dbraw/zinc/90/96/87/806909687.db2.gz IBWTWWGMDBAZHU-DOTOQJQBSA-N 2 1 283.419 3.172 20 0 CGADMP COC(C)(C)[C@H]1CCC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256573567 806919840 /nfs/dbraw/zinc/91/98/40/806919840.db2.gz KGAJRECCIGCOSO-OAHLLOKOSA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256575040 806921548 /nfs/dbraw/zinc/92/15/48/806921548.db2.gz IKNQUUBIUIRQTH-CQSZACIVSA-N 2 1 252.446 3.371 20 0 CGADMP COc1cc(N2CCC[C@@](C)(C[NH3+])CC2)[nH+]c2ccccc21 ZINC001164246866 806922468 /nfs/dbraw/zinc/92/24/68/806922468.db2.gz CTRPBWCHOQQGCS-GOSISDBHSA-N 2 1 299.418 3.199 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C)o1 ZINC001256616568 806926294 /nfs/dbraw/zinc/92/62/94/806926294.db2.gz XMLQEIZFWQIAQD-JALIKCBVSA-N 2 1 262.397 3.254 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)o1 ZINC001256616568 806926299 /nfs/dbraw/zinc/92/62/99/806926299.db2.gz XMLQEIZFWQIAQD-JALIKCBVSA-N 2 1 262.397 3.254 20 0 CGADMP C=Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256615446 806926553 /nfs/dbraw/zinc/92/65/53/806926553.db2.gz HYADEEMNMOQAMN-ALOPSCKCSA-N 2 1 256.393 3.044 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628477 806932008 /nfs/dbraw/zinc/93/20/08/806932008.db2.gz GBWAEIVYXSWAQM-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628477 806932013 /nfs/dbraw/zinc/93/20/13/806932013.db2.gz GBWAEIVYXSWAQM-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628477 806932017 /nfs/dbraw/zinc/93/20/17/806932017.db2.gz GBWAEIVYXSWAQM-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC001118991886 802625654 /nfs/dbraw/zinc/62/56/54/802625654.db2.gz ROSMJOVCLRFIKS-KDOFPFPSSA-N 2 1 288.435 3.004 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001120071211 802732858 /nfs/dbraw/zinc/73/28/58/802732858.db2.gz GUDHHNYVDYTYTO-LCWAXJCOSA-N 2 1 298.474 3.452 20 0 CGADMP CCC1([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CCC1 ZINC001256906475 807007829 /nfs/dbraw/zinc/00/78/29/807007829.db2.gz RDQHGCZNLFWVST-CQSZACIVSA-N 2 1 250.430 3.316 20 0 CGADMP CCC1([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CCC1 ZINC001256906475 807007837 /nfs/dbraw/zinc/00/78/37/807007837.db2.gz RDQHGCZNLFWVST-CQSZACIVSA-N 2 1 250.430 3.316 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205280913 812928233 /nfs/dbraw/zinc/92/82/33/812928233.db2.gz LRXHEPRBFOFHHO-KRWDZBQOSA-N 2 1 260.425 3.342 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc(CC)c1O ZINC001205280987 812928246 /nfs/dbraw/zinc/92/82/46/812928246.db2.gz NOPOJHDWPFZQPJ-GOSISDBHSA-N 2 1 290.451 3.220 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001206809953 813443351 /nfs/dbraw/zinc/44/33/51/813443351.db2.gz MPQBZTSJGHPSJN-NVXWUHKLSA-N 2 1 290.451 3.341 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)CCc2ccc(F)cc2)CCCC1 ZINC001208185407 813735326 /nfs/dbraw/zinc/73/53/26/813735326.db2.gz CYNJLZPJFQGAEY-UHFFFAOYSA-N 2 1 292.442 3.422 20 0 CGADMP Cc1ccc2c(C[NH+]3CCC([NH+](C)C)CC3)c[nH]c2c1 ZINC001136967539 803664341 /nfs/dbraw/zinc/66/43/41/803664341.db2.gz GWRXXTBMEAVIFE-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2cccc(F)c12 ZINC001136984849 803667937 /nfs/dbraw/zinc/66/79/37/803667937.db2.gz UAUWFUSBUQDRTD-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2cccc(F)c12 ZINC001136984849 803667939 /nfs/dbraw/zinc/66/79/39/803667939.db2.gz UAUWFUSBUQDRTD-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP CCN(Cc1ccc2cc(C)ccc2n1)C1CC[NH+](C)CC1 ZINC001137215592 803697867 /nfs/dbraw/zinc/69/78/67/803697867.db2.gz CMWUNEJLUGKOOY-UHFFFAOYSA-N 2 1 297.446 3.459 20 0 CGADMP CO[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138549072 803963653 /nfs/dbraw/zinc/96/36/53/803963653.db2.gz QANVOKGVLYHXJC-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP CO[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138549072 803963657 /nfs/dbraw/zinc/96/36/57/803963657.db2.gz QANVOKGVLYHXJC-SFHVURJKSA-N 2 1 299.418 3.182 20 0 CGADMP CCCC[C@H](O)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064599 804107003 /nfs/dbraw/zinc/10/70/03/804107003.db2.gz FRMBPXALMSBAJB-JYJNAYRXSA-N 2 1 284.488 3.156 20 0 CGADMP CC(C)(C)[C@@H](O)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246072171 804110303 /nfs/dbraw/zinc/11/03/03/804110303.db2.gz XHDQJVOBZVIUBX-XIRDDKMYSA-N 2 1 296.499 3.298 20 0 CGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)CC[NH2+]1 ZINC001246071696 804110981 /nfs/dbraw/zinc/11/09/81/804110981.db2.gz NFALPOQHLZWUFN-DZGCQCFKSA-N 2 1 266.816 3.206 20 0 CGADMP CCC1CCC(C2CCC([NH2+]CC[NH3+])CC2)CC1 ZINC001246077097 804116277 /nfs/dbraw/zinc/11/62/77/804116277.db2.gz GHOIWCMBBISMHF-UHFFFAOYSA-N 2 1 252.446 3.310 20 0 CGADMP CC[C@H]1CC([NH2+]Cc2ccc(F)c(F)c2)C[C@H](CC)[NH2+]1 ZINC001246092333 804123998 /nfs/dbraw/zinc/12/39/98/804123998.db2.gz AERLAZYDWRZHCK-STQMWFEESA-N 2 1 282.378 3.364 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001139158026 804142402 /nfs/dbraw/zinc/14/24/02/804142402.db2.gz XGDBZMRNZBPTJJ-UHFFFAOYSA-N 2 1 297.446 3.331 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246115317 804145977 /nfs/dbraw/zinc/14/59/77/804145977.db2.gz RIUKJGPMCOEARF-LSDHHAIUSA-N 2 1 256.409 3.193 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246119074 804151904 /nfs/dbraw/zinc/15/19/04/804151904.db2.gz AWNVFEPWPPCSNH-ZACQAIPSSA-N 2 1 258.409 3.054 20 0 CGADMP CC(C)CC(CC(C)C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246174271 804189240 /nfs/dbraw/zinc/18/92/40/804189240.db2.gz JEEZXUTZPUYZKR-OAHLLOKOSA-N 2 1 258.425 3.129 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246177284 804190775 /nfs/dbraw/zinc/19/07/75/804190775.db2.gz MNOSQJUFZRVDLL-IUODEOHRSA-N 2 1 266.816 3.003 20 0 CGADMP CCCCCC[C@@H](CC)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246180127 804194133 /nfs/dbraw/zinc/19/41/33/804194133.db2.gz PNJABMITSQROGE-HUUCEWRRSA-N 2 1 258.425 3.417 20 0 CGADMP CCC(CC)([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246183555 804195111 /nfs/dbraw/zinc/19/51/11/804195111.db2.gz FYPJITZUYMQQLB-MRXNPFEDSA-N 2 1 260.425 3.434 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246191326 804200106 /nfs/dbraw/zinc/20/01/06/804200106.db2.gz VTQMVXWKWRPZDZ-QZTJIDSGSA-N 2 1 274.452 3.376 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001246231089 804223008 /nfs/dbraw/zinc/22/30/08/804223008.db2.gz OFJJMPJGWMYLQU-XJKSGUPXSA-N 2 1 296.405 3.014 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CC[NH2+]1 ZINC001246245199 804235696 /nfs/dbraw/zinc/23/56/96/804235696.db2.gz RYROJZMWXJEAOP-GDBMZVCRSA-N 2 1 272.392 3.299 20 0 CGADMP Clc1ccc(CCC[NH2+][C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001246257556 804241125 /nfs/dbraw/zinc/24/11/25/804241125.db2.gz XTESKICTTMRTDA-CYBMUJFWSA-N 2 1 287.234 3.268 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C(C)(C)C1)c1ccccc1F ZINC001246261999 804244228 /nfs/dbraw/zinc/24/42/28/804244228.db2.gz GPYJESIWSOYWNZ-DOMZBBRYSA-N 2 1 264.388 3.397 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c(Cl)c1 ZINC001246262126 804244547 /nfs/dbraw/zinc/24/45/47/804244547.db2.gz HURHMBAYUQTOFE-DABQJJPHSA-N 2 1 266.816 3.267 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@@H](C[NH3+])Cc2ccccc2)CC(C)(C)C1 ZINC001246269349 804247539 /nfs/dbraw/zinc/24/75/39/804247539.db2.gz RICZQZQYXUKAIP-BHYGNILZSA-N 2 1 274.452 3.361 20 0 CGADMP CC[NH2+]CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246274010 804251320 /nfs/dbraw/zinc/25/13/20/804251320.db2.gz UJEOBRKJDVBVOW-LBPRGKRZSA-N 2 1 287.234 3.050 20 0 CGADMP [NH3+]CC1([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CCCC1 ZINC001246287640 804260893 /nfs/dbraw/zinc/26/08/93/804260893.db2.gz OPJBJXMJRVHDDA-CYBMUJFWSA-N 2 1 278.827 3.058 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001246310628 804273933 /nfs/dbraw/zinc/27/39/33/804273933.db2.gz FILRZOQOVUKIMW-FZMZJTMJSA-N 2 1 299.256 3.097 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246316865 804276788 /nfs/dbraw/zinc/27/67/88/804276788.db2.gz KDSZOODJGLRWKI-RYUDHWBXSA-N 2 1 287.234 3.178 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(OC)c2)CC[NH2+]1 ZINC001246319481 804279255 /nfs/dbraw/zinc/27/92/55/804279255.db2.gz WTNLPCGSUSTAOE-HZPDHXFCSA-N 2 1 294.414 3.235 20 0 CGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246324590 804282366 /nfs/dbraw/zinc/28/23/66/804282366.db2.gz FRXHHTANLMEOOF-OAHLLOKOSA-N 2 1 264.457 3.467 20 0 CGADMP CCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246341255 804293210 /nfs/dbraw/zinc/29/32/10/804293210.db2.gz OCRBKVAYJWBAMF-YNEHKIRRSA-N 2 1 280.378 3.475 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246354448 804301129 /nfs/dbraw/zinc/30/11/29/804301129.db2.gz FNSNWHLJMACAKK-INIZCTEOSA-N 2 1 260.425 3.115 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C[NH2+]1 ZINC001246362494 804304933 /nfs/dbraw/zinc/30/49/33/804304933.db2.gz LZKBWXPBPXLZMD-JIMOISOXSA-N 2 1 299.245 3.191 20 0 CGADMP Fc1ccc(CC2([NH2+][C@@H]3CCCC[NH2+]C3)CCC2)cc1 ZINC001246384965 804316982 /nfs/dbraw/zinc/31/69/82/804316982.db2.gz ACGZZIAKOODMKC-MRXNPFEDSA-N 2 1 276.399 3.023 20 0 CGADMP C[NH2+]CC[C@@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1F ZINC001246396748 804321549 /nfs/dbraw/zinc/32/15/49/804321549.db2.gz QYLNBQKJQSBTPA-WBMJQRKESA-N 2 1 264.388 3.255 20 0 CGADMP CC1(C)CCC([NH2+]CC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC001246480751 804354592 /nfs/dbraw/zinc/35/45/92/804354592.db2.gz FRMWVDUXFAECAU-GFCCVEGCSA-N 2 1 274.399 3.180 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246493237 804359619 /nfs/dbraw/zinc/35/96/19/804359619.db2.gz XVTJBOFJCXUNTR-MELADBBJSA-N 2 1 276.415 3.426 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)CCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246519439 804374962 /nfs/dbraw/zinc/37/49/62/804374962.db2.gz OAPYRJMFMRQGPG-PIIMJCKOSA-N 2 1 274.452 3.470 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246521135 804376274 /nfs/dbraw/zinc/37/62/74/804376274.db2.gz WPOOYDMCKQFHMS-GJZGRUSLSA-N 2 1 260.425 3.426 20 0 CGADMP C[C@H]1CC([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@H](C)C1 ZINC001246521619 804376373 /nfs/dbraw/zinc/37/63/73/804376373.db2.gz CSRMEZKATOXAAG-HUUCEWRRSA-N 2 1 264.457 3.277 20 0 CGADMP C[N@@H+]([C@@H]1CCC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC001246531137 804383119 /nfs/dbraw/zinc/38/31/19/804383119.db2.gz MVVWRTORAOJCJB-OAHLLOKOSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539066 804389494 /nfs/dbraw/zinc/38/94/94/804389494.db2.gz APGJRCKAYKQNCO-OCCSQVGLSA-N 2 1 282.428 3.120 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140145355 804390151 /nfs/dbraw/zinc/39/01/51/804390151.db2.gz SFGWMYQFRMTQMS-UHFFFAOYSA-N 2 1 295.430 3.293 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140145355 804390161 /nfs/dbraw/zinc/39/01/61/804390161.db2.gz SFGWMYQFRMTQMS-UHFFFAOYSA-N 2 1 295.430 3.293 20 0 CGADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246543578 804392826 /nfs/dbraw/zinc/39/28/26/804392826.db2.gz ULNIROSZRXOGOQ-JKSUJKDBSA-N 2 1 278.827 3.011 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246546407 804394971 /nfs/dbraw/zinc/39/49/71/804394971.db2.gz CRTXXJNZTDCJKN-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246547389 804395093 /nfs/dbraw/zinc/39/50/93/804395093.db2.gz HYPQPSOMKBIJNU-UKRRQHHQSA-N 2 1 256.409 3.108 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246546819 804395210 /nfs/dbraw/zinc/39/52/10/804395210.db2.gz AOYUVVOCAHXCNV-CZUORRHYSA-N 2 1 280.843 3.474 20 0 CGADMP CCCCCC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246548852 804398159 /nfs/dbraw/zinc/39/81/59/804398159.db2.gz KPYVUVJXRHLOAN-CABCVRRESA-N 2 1 258.425 3.498 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246551257 804400316 /nfs/dbraw/zinc/40/03/16/804400316.db2.gz LRXVSHICJWPZSU-RLFYNMQTSA-N 2 1 274.452 3.097 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552987 804402797 /nfs/dbraw/zinc/40/27/97/804402797.db2.gz QLCDPZNAYYFKAK-SJORKVTESA-N 2 1 260.425 3.211 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001246555246 804403762 /nfs/dbraw/zinc/40/37/62/804403762.db2.gz GBELVBVNISQAFM-BBRMVZONSA-N 2 1 296.405 3.096 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246554400 804403996 /nfs/dbraw/zinc/40/39/96/804403996.db2.gz WIEUEEYFFXLWDL-IPYPFGDCSA-N 2 1 280.843 3.188 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001246554292 804404649 /nfs/dbraw/zinc/40/46/49/804404649.db2.gz ZLYJHBAIPOEMOW-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553590 804404775 /nfs/dbraw/zinc/40/47/75/804404775.db2.gz BNCDQBOWRPDOEV-STQMWFEESA-N 2 1 262.388 3.117 20 0 CGADMP CC(C)OC1CCC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246557362 804406205 /nfs/dbraw/zinc/40/62/05/804406205.db2.gz KXOCBVGCNAILEH-NJINODPHSA-N 2 1 282.472 3.029 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246559616 804407446 /nfs/dbraw/zinc/40/74/46/804407446.db2.gz SJOPIYQEUWKIIN-IHRRRGAJSA-N 2 1 276.415 3.363 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559420 804407474 /nfs/dbraw/zinc/40/74/74/804407474.db2.gz BCZTWGKNJNCMCB-VDHUWJSZSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@H]1C[N@H+](C2CC(C)(C)OC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246559585 804407762 /nfs/dbraw/zinc/40/77/62/804407762.db2.gz DCXJNBIXWXJGMG-UONOGXRCSA-N 2 1 282.472 3.029 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246558861 804407793 /nfs/dbraw/zinc/40/77/93/804407793.db2.gz ACXYJLHENAOQHN-JKSUJKDBSA-N 2 1 264.388 3.034 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC001246558861 804407801 /nfs/dbraw/zinc/40/78/01/804407801.db2.gz ACXYJLHENAOQHN-JKSUJKDBSA-N 2 1 264.388 3.034 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246560349 804409403 /nfs/dbraw/zinc/40/94/03/804409403.db2.gz CWLLRMKFFAVORQ-BZPMIXESSA-N 2 1 298.833 3.469 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[C@@H]1C[NH3+] ZINC001246562739 804411898 /nfs/dbraw/zinc/41/18/98/804411898.db2.gz WISWZGJDBGTMPJ-AAVRWANBSA-N 2 1 292.389 3.414 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1)CC2 ZINC001246562672 804412398 /nfs/dbraw/zinc/41/23/98/804412398.db2.gz VZPYCRVIRDMMDS-HHXXYDBFSA-N 2 1 286.463 3.159 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC1 ZINC001246564301 804413098 /nfs/dbraw/zinc/41/30/98/804413098.db2.gz MKOVSKCGEOIKMR-YHNBSYBMSA-N 2 1 252.446 3.405 20 0 CGADMP CCCOC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246565026 804414413 /nfs/dbraw/zinc/41/44/13/804414413.db2.gz ZZBVYQMYMDQIDH-NJINODPHSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@@H](C)C1 ZINC001246573033 804421255 /nfs/dbraw/zinc/42/12/55/804421255.db2.gz DWPTYVQVVXQPLQ-FXUDXRNXSA-N 2 1 252.446 3.262 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575807 804422863 /nfs/dbraw/zinc/42/28/63/804422863.db2.gz IZHRMRINMAVFKC-KKUMJFAQSA-N 2 1 258.425 3.354 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575807 804422865 /nfs/dbraw/zinc/42/28/65/804422865.db2.gz IZHRMRINMAVFKC-KKUMJFAQSA-N 2 1 258.425 3.354 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246575898 804422933 /nfs/dbraw/zinc/42/29/33/804422933.db2.gz XYUNOJMVTZRJFA-NRSFXHEJSA-N 2 1 290.426 3.030 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246575898 804422935 /nfs/dbraw/zinc/42/29/35/804422935.db2.gz XYUNOJMVTZRJFA-NRSFXHEJSA-N 2 1 290.426 3.030 20 0 CGADMP C1[C@@H]2CCCC[C@@H]2C[N@@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246575154 804423138 /nfs/dbraw/zinc/42/31/38/804423138.db2.gz VXGRNRAFKHUDPY-OQSMONGASA-N 2 1 276.468 3.421 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC001140376423 804423845 /nfs/dbraw/zinc/42/38/45/804423845.db2.gz AZSQCPBCVXMTMY-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC001140376423 804423852 /nfs/dbraw/zinc/42/38/52/804423852.db2.gz AZSQCPBCVXMTMY-UHFFFAOYSA-N 2 1 283.419 3.132 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584822 804428193 /nfs/dbraw/zinc/42/81/93/804428193.db2.gz VBPUUXDCGBMXIQ-CGTJXYLNSA-N 2 1 272.436 3.384 20 0 CGADMP C[C@H]1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246589828 804432200 /nfs/dbraw/zinc/43/22/00/804432200.db2.gz GVIIGMUYRHGGNG-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)[N@@H+]([C@@H]1Cc2cccc(F)c2C1)[C@@H]1CCC[NH2+]CC1 ZINC001246590580 804433542 /nfs/dbraw/zinc/43/35/42/804433542.db2.gz HDSRRDGYIVWMJC-HZPDHXFCSA-N 2 1 290.426 3.145 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246593891 804435033 /nfs/dbraw/zinc/43/50/33/804435033.db2.gz UEEROQFADGYONO-NFAWXSAZSA-N 2 1 280.843 3.330 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246599047 804438260 /nfs/dbraw/zinc/43/82/60/804438260.db2.gz AFGQXSXLGPBOQE-HOTGVXAUSA-N 2 1 250.430 3.197 20 0 CGADMP CCSC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246602126 804440414 /nfs/dbraw/zinc/44/04/14/804440414.db2.gz KDXHFWOBNCHASN-CVEARBPZSA-N 2 1 284.513 3.374 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246604768 804441697 /nfs/dbraw/zinc/44/16/97/804441697.db2.gz NZBLNLTVGFMZPC-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246604768 804441702 /nfs/dbraw/zinc/44/17/02/804441702.db2.gz NZBLNLTVGFMZPC-ROUUACIJSA-N 2 1 272.436 3.226 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246609365 804443341 /nfs/dbraw/zinc/44/33/41/804443341.db2.gz MTCGZJDNSFZQJJ-WMLDXEAASA-N 2 1 292.854 3.347 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CCOC3(CC[NH2+]CC3)C2)CC1 ZINC001246609018 804443543 /nfs/dbraw/zinc/44/35/43/804443543.db2.gz ZDFSKUCHDGPZQG-UHFFFAOYSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246609620 804443680 /nfs/dbraw/zinc/44/36/80/804443680.db2.gz ZVDLGLDTKQVYIB-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP CCC1CCC([N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246611467 804444401 /nfs/dbraw/zinc/44/44/01/804444401.db2.gz UBLHBWHMLIZFDM-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246611611 804444792 /nfs/dbraw/zinc/44/47/92/804444792.db2.gz UYOBYVSEOFPKCT-WMLDXEAASA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246609681 804445432 /nfs/dbraw/zinc/44/54/32/804445432.db2.gz MOLSTWFJLKHAEF-YOEHRIQHSA-N 2 1 292.854 3.489 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246614732 804448247 /nfs/dbraw/zinc/44/82/47/804448247.db2.gz ULHWRYVZPWVKQP-YJBOKZPZSA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246614732 804448255 /nfs/dbraw/zinc/44/82/55/804448255.db2.gz ULHWRYVZPWVKQP-YJBOKZPZSA-N 2 1 272.436 3.008 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246614538 804448845 /nfs/dbraw/zinc/44/88/45/804448845.db2.gz NTEIMJLQIRTCDX-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246614538 804448849 /nfs/dbraw/zinc/44/88/49/804448849.db2.gz NTEIMJLQIRTCDX-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)C[C@H]1C ZINC001246614658 804449150 /nfs/dbraw/zinc/44/91/50/804449150.db2.gz UBZNKJVPLWGVMS-BZUAXINKSA-N 2 1 264.457 3.419 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246615126 804449156 /nfs/dbraw/zinc/44/91/56/804449156.db2.gz CRLWAMYKTGRQFP-HIFRSBDPSA-N 2 1 270.486 3.125 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246615464 804450017 /nfs/dbraw/zinc/45/00/17/804450017.db2.gz WDWSVZBFDUZVQC-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246615464 804450020 /nfs/dbraw/zinc/45/00/20/804450020.db2.gz WDWSVZBFDUZVQC-JYJNAYRXSA-N 2 1 252.446 3.275 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246620494 804453285 /nfs/dbraw/zinc/45/32/85/804453285.db2.gz JUWKKGPEGWPJQD-VQIMIIECSA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001246620494 804453291 /nfs/dbraw/zinc/45/32/91/804453291.db2.gz JUWKKGPEGWPJQD-VQIMIIECSA-N 2 1 286.463 3.398 20 0 CGADMP C1[NH2+]C[C@H]2C[N@@H+](C3CCC4(CCCCC4)CC3)C[C@@H]12 ZINC001246622709 804455172 /nfs/dbraw/zinc/45/51/72/804455172.db2.gz IGQIYEXGZFFBFD-GASCZTMLSA-N 2 1 262.441 3.031 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629416 804460151 /nfs/dbraw/zinc/46/01/51/804460151.db2.gz ZCFYPPXKKLGGIZ-GBESFXJTSA-N 2 1 286.463 3.472 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246628903 804460851 /nfs/dbraw/zinc/46/08/51/804460851.db2.gz FBRRQRBWYWWZLK-XHSDSOJGSA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631008 804460901 /nfs/dbraw/zinc/46/09/01/804460901.db2.gz NLMXNOZJDGOZMF-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246631023 804461219 /nfs/dbraw/zinc/46/12/19/804461219.db2.gz NQUPKGRSYKSSCH-HOTGVXAUSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246632580 804462181 /nfs/dbraw/zinc/46/21/81/804462181.db2.gz XRKAPDJBJWUEGK-SJLPKXTDSA-N 2 1 272.436 3.002 20 0 CGADMP CC[C@H](CC(C)C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246636799 804465268 /nfs/dbraw/zinc/46/52/68/804465268.db2.gz WZDCZKZOLLCSPO-CVEARBPZSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246634848 804466105 /nfs/dbraw/zinc/46/61/05/804466105.db2.gz PKYMHVCGMKBNDJ-OAGGEKHMSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC23CC[NH2+]CC3)CC1 ZINC001246640424 804467594 /nfs/dbraw/zinc/46/75/94/804467594.db2.gz CRQYJESWJGTAKT-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246640617 804467903 /nfs/dbraw/zinc/46/79/03/804467903.db2.gz ADVSBNCUDJEUIZ-WMLDXEAASA-N 2 1 292.854 3.489 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246640617 804467906 /nfs/dbraw/zinc/46/79/06/804467906.db2.gz ADVSBNCUDJEUIZ-WMLDXEAASA-N 2 1 292.854 3.489 20 0 CGADMP CCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246642223 804468996 /nfs/dbraw/zinc/46/89/96/804468996.db2.gz ZSWZOYYWZLDFPA-ZIAGYGMSSA-N 2 1 274.399 3.276 20 0 CGADMP C1CC2(C[N@H+]1C1CCCCCCC1)CC[NH2+]CC2 ZINC001246641359 804469153 /nfs/dbraw/zinc/46/91/53/804469153.db2.gz XVGKZDKZSCIJKR-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)CC(C)(C)C1 ZINC001246645792 804473556 /nfs/dbraw/zinc/47/35/56/804473556.db2.gz DTWGHHGUHWGWKT-KGLIPLIRSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246647919 804475655 /nfs/dbraw/zinc/47/56/55/804475655.db2.gz VPQXHEUBFKUOGT-AWEZNQCLSA-N 2 1 292.854 3.489 20 0 CGADMP CC(C)CC(CC(C)C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246647221 804475731 /nfs/dbraw/zinc/47/57/31/804475731.db2.gz HZNNTFMLUFEPSB-UHFFFAOYSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)COCC[C@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649204 804476480 /nfs/dbraw/zinc/47/64/80/804476480.db2.gz AVHMTMRMWRZAMG-DLBZAZTESA-N 2 1 282.472 3.046 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCCC13CC[NH2+]CC3)CC2 ZINC001246649448 804477805 /nfs/dbraw/zinc/47/78/05/804477805.db2.gz ZJMUYUSHFIODOR-IBGZPJMESA-N 2 1 298.474 3.460 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657470 804482022 /nfs/dbraw/zinc/48/20/22/804482022.db2.gz MJZIVLRXLKISDC-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)CCC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656908 804482037 /nfs/dbraw/zinc/48/20/37/804482037.db2.gz PDKWOWNEWCPQEC-RDBSUJKOSA-N 2 1 292.389 3.285 20 0 CGADMP C[N@@H+](C1CC1)C1CCN(Cc2cccc3ccncc32)CC1 ZINC001140644370 804482991 /nfs/dbraw/zinc/48/29/91/804482991.db2.gz KOHUQAKMEKSJFH-UHFFFAOYSA-N 2 1 295.430 3.293 20 0 CGADMP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140644370 804482996 /nfs/dbraw/zinc/48/29/96/804482996.db2.gz KOHUQAKMEKSJFH-UHFFFAOYSA-N 2 1 295.430 3.293 20 0 CGADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140644370 804482997 /nfs/dbraw/zinc/48/29/97/804482997.db2.gz KOHUQAKMEKSJFH-UHFFFAOYSA-N 2 1 295.430 3.293 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661404 804483946 /nfs/dbraw/zinc/48/39/46/804483946.db2.gz WVDJCPVWBIECKP-FPCVCCKLSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661404 804483951 /nfs/dbraw/zinc/48/39/51/804483951.db2.gz WVDJCPVWBIECKP-FPCVCCKLSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246661700 804485727 /nfs/dbraw/zinc/48/57/27/804485727.db2.gz GLAJBEGNMWIICI-DSJMHWKBSA-N 2 1 250.430 3.014 20 0 CGADMP C1[C@H]2C[NH2+]CC[C@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246671728 804489578 /nfs/dbraw/zinc/48/95/78/804489578.db2.gz HLEWAEANERBAAY-GDBMZVCRSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246676033 804490827 /nfs/dbraw/zinc/49/08/27/804490827.db2.gz RZFJRQYQMAMJEU-ATZDWAIDSA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246685674 804495657 /nfs/dbraw/zinc/49/56/57/804495657.db2.gz ARVDUXZRRCEMLR-NXOAAHMSSA-N 2 1 284.463 3.471 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246683385 804496441 /nfs/dbraw/zinc/49/64/41/804496441.db2.gz IRVQVWOGLWPSEO-BRSBDYLESA-N 2 1 294.483 3.188 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246689365 804497858 /nfs/dbraw/zinc/49/78/58/804497858.db2.gz JIWSQVDRWORHBQ-HRCADAONSA-N 2 1 270.436 3.369 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246695952 804498652 /nfs/dbraw/zinc/49/86/52/804498652.db2.gz UHPJGHBPLZAJOG-DOTOQJQBSA-N 2 1 290.451 3.294 20 0 CGADMP CC[C@H]1CC([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)C[C@H](CC)[NH2+]1 ZINC001246726422 804501177 /nfs/dbraw/zinc/50/11/77/804501177.db2.gz DDGAHNYDKHDMOE-CVYDXHPNSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@@H]1CC([N@@H+](C)CCCc2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246775988 804505965 /nfs/dbraw/zinc/50/59/65/804505965.db2.gz MARUKAPKNDAXHY-HUUCEWRRSA-N 2 1 260.425 3.080 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246778443 804506030 /nfs/dbraw/zinc/50/60/30/804506030.db2.gz WHKHFWKNKQHADQ-AKHDSKFASA-N 2 1 284.447 3.224 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC001246777035 804506150 /nfs/dbraw/zinc/50/61/50/804506150.db2.gz PHDONMLDURKKGQ-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1cc(N2CC[NH+](Cc3ccc(F)cc3C)CC2)cc[nH+]1 ZINC001140781423 804511692 /nfs/dbraw/zinc/51/16/92/804511692.db2.gz TWLUILJXKBSQHN-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246790451 804513410 /nfs/dbraw/zinc/51/34/10/804513410.db2.gz GBGHCQYQEYUVFV-XUVXKRRUSA-N 2 1 298.474 3.473 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246793014 804515610 /nfs/dbraw/zinc/51/56/10/804515610.db2.gz CFHZPOYNDBPRSR-HOTGVXAUSA-N 2 1 276.399 3.493 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)C[C@H](C)[NH2+]1 ZINC001246793977 804518091 /nfs/dbraw/zinc/51/80/91/804518091.db2.gz FOOZDMWDIHPQQO-RMHZUWNSSA-N 2 1 276.399 3.492 20 0 CGADMP CSC(C)(C)C[C@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246798793 804518850 /nfs/dbraw/zinc/51/88/50/804518850.db2.gz SJGQPHGEGSYHEY-ZDUSSCGKSA-N 2 1 272.502 3.228 20 0 CGADMP CC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246795920 804518986 /nfs/dbraw/zinc/51/89/86/804518986.db2.gz JYQCBPGMFYETEH-ZDUSSCGKSA-N 2 1 280.843 3.345 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246798756 804519205 /nfs/dbraw/zinc/51/92/05/804519205.db2.gz RQLJKDYVTQPOJO-BBRMVZONSA-N 2 1 276.399 3.493 20 0 CGADMP CC[N@@H+]([C@H](C)CSc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246797360 804520152 /nfs/dbraw/zinc/52/01/52/804520152.db2.gz OFYLYUNWQBWJRZ-CYBMUJFWSA-N 2 1 296.455 3.380 20 0 CGADMP c1cc2c(s1)C[N@@H+](Cc1c[nH]c3ccncc13)CC2 ZINC001140807453 804523202 /nfs/dbraw/zinc/52/32/02/804523202.db2.gz ZSFLTZUDCCHUKX-UHFFFAOYSA-N 2 1 269.373 3.183 20 0 CGADMP c1cc2c(s1)C[N@H+](Cc1cnc3cc[nH]cc1-3)CC2 ZINC001140807453 804523208 /nfs/dbraw/zinc/52/32/08/804523208.db2.gz ZSFLTZUDCCHUKX-UHFFFAOYSA-N 2 1 269.373 3.183 20 0 CGADMP c1cc2c(s1)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140807453 804523217 /nfs/dbraw/zinc/52/32/17/804523217.db2.gz ZSFLTZUDCCHUKX-UHFFFAOYSA-N 2 1 269.373 3.183 20 0 CGADMP c1cc2c(s1)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140807453 804523221 /nfs/dbraw/zinc/52/32/21/804523221.db2.gz ZSFLTZUDCCHUKX-UHFFFAOYSA-N 2 1 269.373 3.183 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC001246801936 804523713 /nfs/dbraw/zinc/52/37/13/804523713.db2.gz URRJRZHLGYQOTQ-ZACQAIPSSA-N 2 1 276.399 3.493 20 0 CGADMP c1ccc([C@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246806710 804525853 /nfs/dbraw/zinc/52/58/53/804525853.db2.gz HWKUUVXHSWRWBU-FCLJQHQZSA-N 2 1 288.460 3.060 20 0 CGADMP c1ccc([C@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC001246815489 804531967 /nfs/dbraw/zinc/53/19/67/804531967.db2.gz DCUVPXZSMZKFCB-IPMKNSEASA-N 2 1 284.447 3.398 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246822667 804537105 /nfs/dbraw/zinc/53/71/05/804537105.db2.gz MIZQSLDOJJEIQE-LESCRADOSA-N 2 1 288.435 3.363 20 0 CGADMP C1[NH2+]CC12CCC([N@H+]1CCC[C@@H]3CCCC[C@@H]31)CC2 ZINC001246832414 804540057 /nfs/dbraw/zinc/54/00/57/804540057.db2.gz GPIPVIFKECOIRL-HOCLYGCPSA-N 2 1 262.441 3.173 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC3(CCC3)C2)CC[NH2+]1 ZINC001246829529 804540522 /nfs/dbraw/zinc/54/05/22/804540522.db2.gz KWSYJQJSDHIRTP-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP COCCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246838645 804546575 /nfs/dbraw/zinc/54/65/75/804546575.db2.gz ZLNVOGIBUJDTTG-NVXWUHKLSA-N 2 1 296.499 3.292 20 0 CGADMP CCc1ccc(C[N@@H+](C)C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246845201 804553509 /nfs/dbraw/zinc/55/35/09/804553509.db2.gz LMILVOZLNDYTSR-ZIAGYGMSSA-N 2 1 260.425 3.210 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246844607 804554500 /nfs/dbraw/zinc/55/45/00/804554500.db2.gz ZSWJPPWMFIQCPN-KBPBESRZSA-N 2 1 280.843 3.202 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246846767 804555845 /nfs/dbraw/zinc/55/58/45/804555845.db2.gz QYUITKZLEPSXFE-MUJYYYPQSA-N 2 1 278.827 3.445 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001246847554 804556015 /nfs/dbraw/zinc/55/60/15/804556015.db2.gz UEKYEYRFZRSKBX-OAHLLOKOSA-N 2 1 275.440 3.214 20 0 CGADMP C[N@@H+](C[C@H]1CC1(C)C)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246847335 804556300 /nfs/dbraw/zinc/55/63/00/804556300.db2.gz TTZUCTXSVADMDL-HUUCEWRRSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001246848692 804557895 /nfs/dbraw/zinc/55/78/95/804557895.db2.gz CNCWZVXPJVVFFQ-JSGCOSHPSA-N 2 1 266.816 3.127 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850239 804559384 /nfs/dbraw/zinc/55/93/84/804559384.db2.gz INUPMCRATMKHEO-XPKDYRNWSA-N 2 1 278.827 3.270 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246852683 804561421 /nfs/dbraw/zinc/56/14/21/804561421.db2.gz JOIASBLBURAAKX-YZUHTNEWSA-N 2 1 282.447 3.367 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCCC3(CC(F)C3)CC2)CC[NH2+]1 ZINC001246852683 804561427 /nfs/dbraw/zinc/56/14/27/804561427.db2.gz JOIASBLBURAAKX-YZUHTNEWSA-N 2 1 282.447 3.367 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC001246851546 804561919 /nfs/dbraw/zinc/56/19/19/804561919.db2.gz KTSSUJWETJBRDL-XPKDYRNWSA-N 2 1 278.827 3.270 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246854733 804564195 /nfs/dbraw/zinc/56/41/95/804564195.db2.gz RCWOOIYLLLTACP-KSZLIROESA-N 2 1 272.436 3.211 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246862625 804567889 /nfs/dbraw/zinc/56/78/89/804567889.db2.gz LYEXBTOUPZVKFJ-BJWYYQGGSA-N 2 1 276.399 3.321 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867019 804569209 /nfs/dbraw/zinc/56/92/09/804569209.db2.gz MMKBJWLAKNSIGP-JYJNAYRXSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246869094 804571685 /nfs/dbraw/zinc/57/16/85/804571685.db2.gz DQBKXDJAXGIFLN-QZTJIDSGSA-N 2 1 295.515 3.090 20 0 CGADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246869901 804572279 /nfs/dbraw/zinc/57/22/79/804572279.db2.gz XHBUVVHJWNJUBC-UKPHBRMFSA-N 2 1 258.409 3.136 20 0 CGADMP Clc1cccc2c1C[N@H+](C1CCC3(C[NH2+]C3)CC1)CC2 ZINC001246875423 804574312 /nfs/dbraw/zinc/57/43/12/804574312.db2.gz VMWZGJHCNUFQCT-UHFFFAOYSA-N 2 1 290.838 3.230 20 0 CGADMP CC(C)[C@H]1CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246891952 804583047 /nfs/dbraw/zinc/58/30/47/804583047.db2.gz YUXLYCPSOPXUDB-AQFXKWCLSA-N 2 1 264.457 3.419 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246899327 804586909 /nfs/dbraw/zinc/58/69/09/804586909.db2.gz DOBMXPZUAKJMQV-CXAGYDPISA-N 2 1 269.392 3.057 20 0 CGADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246899327 804586914 /nfs/dbraw/zinc/58/69/14/804586914.db2.gz DOBMXPZUAKJMQV-CXAGYDPISA-N 2 1 269.392 3.057 20 0 CGADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246905218 804589779 /nfs/dbraw/zinc/58/97/79/804589779.db2.gz AGEXYOHBLKEBAU-RBSFLKMASA-N 2 1 292.854 3.399 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001246907509 804591137 /nfs/dbraw/zinc/59/11/37/804591137.db2.gz AEZYYXJJBFBYOC-DAWZGUTISA-N 2 1 290.426 3.145 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246930365 804605452 /nfs/dbraw/zinc/60/54/52/804605452.db2.gz IXIYKZBFOKRJNC-VVLHAWIVSA-N 2 1 266.473 3.379 20 0 CGADMP C[C@@H](Cc1ccco1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246938537 804610577 /nfs/dbraw/zinc/61/05/77/804610577.db2.gz QCWKPRLRURCSPC-JKSUJKDBSA-N 2 1 290.451 3.455 20 0 CGADMP CCCCCC1CCC([N@H+]2CC[C@](F)(C[NH3+])C2)CC1 ZINC001246945918 804613701 /nfs/dbraw/zinc/61/37/01/804613701.db2.gz MLPXBARDLOSFMT-GPANFISMSA-N 2 1 270.436 3.498 20 0 CGADMP C[C@@H](Cc1ccco1)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246945676 804614190 /nfs/dbraw/zinc/61/41/90/804614190.db2.gz HVIKVPHECPVAGZ-AWEZNQCLSA-N 2 1 278.440 3.311 20 0 CGADMP Cc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+][C@@H](C(C)C)C1)C2 ZINC001246967244 804621368 /nfs/dbraw/zinc/62/13/68/804621368.db2.gz MVHOCBVPVVRDJB-ZWKOTPCHSA-N 2 1 272.436 3.130 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246972623 804622612 /nfs/dbraw/zinc/62/26/12/804622612.db2.gz DNBNFUYLFQOFAG-AWEZNQCLSA-N 2 1 290.426 3.363 20 0 CGADMP CC[C@H]1C[C@H]([N@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC001246982207 804627610 /nfs/dbraw/zinc/62/76/10/804627610.db2.gz AZJAMLLOOSDVBY-CWRNSKLLSA-N 2 1 258.409 3.136 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246979603 804627858 /nfs/dbraw/zinc/62/78/58/804627858.db2.gz ZUBYZZVGGZTGQP-QXKUPLGCSA-N 2 1 252.446 3.260 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C1CCC(Cc2ccccc2)CC1 ZINC001247000937 804633975 /nfs/dbraw/zinc/63/39/75/804633975.db2.gz XQOCURQOCLWQRQ-YKWDICOMSA-N 2 1 272.436 3.209 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C1CCC(Cc2ccccc2)CC1 ZINC001247000937 804633977 /nfs/dbraw/zinc/63/39/77/804633977.db2.gz XQOCURQOCLWQRQ-YKWDICOMSA-N 2 1 272.436 3.209 20 0 CGADMP CC(C)[C@H]1C[C@H]([N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC001247000748 804634125 /nfs/dbraw/zinc/63/41/25/804634125.db2.gz XAKMUGZXSPMZND-HZPDHXFCSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001247001371 804634706 /nfs/dbraw/zinc/63/47/06/804634706.db2.gz JPQZRLHMPCOUBI-DAWZGUTISA-N 2 1 290.426 3.363 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]1 ZINC001247004336 804636045 /nfs/dbraw/zinc/63/60/45/804636045.db2.gz OYICGPJAGBBZQH-IAGOWNOFSA-N 2 1 290.426 3.363 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001247001786 804636144 /nfs/dbraw/zinc/63/61/44/804636144.db2.gz LFNOGNJVSJIVHA-ZMSDIMECSA-N 2 1 258.409 3.272 20 0 CGADMP CCC(CC)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006736 804637781 /nfs/dbraw/zinc/63/77/81/804637781.db2.gz VJAGMZTVSILCRJ-UHFFFAOYSA-N 2 1 272.436 3.312 20 0 CGADMP CCCC1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247016762 804644480 /nfs/dbraw/zinc/64/44/80/804644480.db2.gz XTBJZGUFNSQCCC-ODZFXCKXSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247016762 804644485 /nfs/dbraw/zinc/64/44/85/804644485.db2.gz XTBJZGUFNSQCCC-ODZFXCKXSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@H+]1CCC[C@H](CCNc2ccccc2C(C)(C)[NH3+])C1 ZINC001165290703 806988746 /nfs/dbraw/zinc/98/87/46/806988746.db2.gz XAXMGUUJWCHVLA-CQSZACIVSA-N 2 1 275.440 3.024 20 0 CGADMP C[N@H+](Cc1c2ccoc2ccc1F)CC1CC[NH+](C)CC1 ZINC001248539651 804946269 /nfs/dbraw/zinc/94/62/69/804946269.db2.gz RTOOKDGRCCNYET-UHFFFAOYSA-N 2 1 290.382 3.346 20 0 CGADMP C[C@H]1CC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257085340 807047690 /nfs/dbraw/zinc/04/76/90/807047690.db2.gz MDFNFBBWMWEJJT-JKQORVJESA-N 2 1 294.483 3.457 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4c3CCC4)C2)CC1 ZINC001249458638 805154477 /nfs/dbraw/zinc/15/44/77/805154477.db2.gz HPKUSVYSMWNLLG-UHFFFAOYSA-N 2 1 284.447 3.093 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480370 805158670 /nfs/dbraw/zinc/15/86/70/805158670.db2.gz PYWBPCBELYLUMZ-UHFFFAOYSA-N 2 1 279.472 3.476 20 0 CGADMP C[C@@H]1CCCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256855198 806992920 /nfs/dbraw/zinc/99/29/20/806992920.db2.gz HUTWTBPWDBXZNG-OAHLLOKOSA-N 2 1 273.424 3.172 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[N@@H+]3CC[C@@H]([NH3+])C3)ccc2c1 ZINC001257273504 807086314 /nfs/dbraw/zinc/08/63/14/807086314.db2.gz PVRLSQHAVCOLRZ-KBXCAEBGSA-N 2 1 298.430 3.203 20 0 CGADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@@H]([NH3+])C3)ccc2c1 ZINC001257273504 807086320 /nfs/dbraw/zinc/08/63/20/807086320.db2.gz PVRLSQHAVCOLRZ-KBXCAEBGSA-N 2 1 298.430 3.203 20 0 CGADMP CCC(CC)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001257297391 807092230 /nfs/dbraw/zinc/09/22/30/807092230.db2.gz VMMYMDUPDLQJKE-UHFFFAOYSA-N 2 1 261.413 3.117 20 0 CGADMP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001257310480 807100483 /nfs/dbraw/zinc/10/04/83/807100483.db2.gz FNCWBMYYVHOMOX-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001257310480 807100487 /nfs/dbraw/zinc/10/04/87/807100487.db2.gz FNCWBMYYVHOMOX-HOCLYGCPSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001257371025 807128869 /nfs/dbraw/zinc/12/88/69/807128869.db2.gz BLVRVBOXMXVIBQ-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1ccc2c(c1)[nH+]ccc2-n1nc(C[NH3+])c2ccccc21 ZINC001167701252 807229013 /nfs/dbraw/zinc/22/90/13/807229013.db2.gz NSSYRRUYLMJKBU-UHFFFAOYSA-N 2 1 288.354 3.341 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2ccn(C)c21 ZINC001167751640 807240615 /nfs/dbraw/zinc/24/06/15/807240615.db2.gz LHXRXJLZNCATLZ-AWEZNQCLSA-N 2 1 286.423 3.250 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2ccn(C)c21 ZINC001167751640 807240618 /nfs/dbraw/zinc/24/06/18/807240618.db2.gz LHXRXJLZNCATLZ-AWEZNQCLSA-N 2 1 286.423 3.250 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(C2([NH3+])CC2)cc1 ZINC001167752351 807241673 /nfs/dbraw/zinc/24/16/73/807241673.db2.gz FNPMIAKCPSKCSK-HNNXBMFYSA-N 2 1 287.451 3.311 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCNc1c[nH+]cc2cc[nH]c21 ZINC001167753757 807244348 /nfs/dbraw/zinc/24/43/48/807244348.db2.gz QFMJPVCOHGNTIL-CYBMUJFWSA-N 2 1 272.396 3.239 20 0 CGADMP Cc1cc2cc(NCc3ccc(N)[nH+]c3C)ccc2c[nH+]1 ZINC001167787616 807252432 /nfs/dbraw/zinc/25/24/32/807252432.db2.gz DYICBURFJFFILP-UHFFFAOYSA-N 2 1 278.359 3.441 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001167824163 807256080 /nfs/dbraw/zinc/25/60/80/807256080.db2.gz CAVOCFQGIMXZHE-WMZOPIPTSA-N 2 1 289.467 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COC)C1 ZINC001167822695 807256227 /nfs/dbraw/zinc/25/62/27/807256227.db2.gz JCYVGPWKFQNQEA-KURKYZTESA-N 2 1 296.499 3.245 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](CF)C1 ZINC001167824334 807256399 /nfs/dbraw/zinc/25/63/99/807256399.db2.gz DMSVJKVZCMEXBI-GJZGRUSLSA-N 2 1 258.425 3.178 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)Cc1ccccn1 ZINC001167838338 807258821 /nfs/dbraw/zinc/25/88/21/807258821.db2.gz TWZAOGAXANECNY-INIZCTEOSA-N 2 1 277.456 3.414 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cncs1 ZINC001167840098 807260136 /nfs/dbraw/zinc/26/01/36/807260136.db2.gz DTRHRPVVQTVWNL-CYBMUJFWSA-N 2 1 269.458 3.085 20 0 CGADMP [NH2+]=C(Nc1ccc2c(c1)[nH]c1ccccc12)SCC[NH3+] ZINC001167911898 807272301 /nfs/dbraw/zinc/27/23/01/807272301.db2.gz GMHFYIINMSMNMA-UHFFFAOYSA-N 2 1 284.388 3.360 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167956120 807284826 /nfs/dbraw/zinc/28/48/26/807284826.db2.gz JSPAIRULDIDLOQ-KNJMJIDISA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167956120 807284831 /nfs/dbraw/zinc/28/48/31/807284831.db2.gz JSPAIRULDIDLOQ-KNJMJIDISA-N 2 1 296.458 3.239 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167956120 807284835 /nfs/dbraw/zinc/28/48/35/807284835.db2.gz JSPAIRULDIDLOQ-KNJMJIDISA-N 2 1 296.458 3.239 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258073772 807291549 /nfs/dbraw/zinc/29/15/49/807291549.db2.gz GBNVZJZTMNYGME-YESZJQIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258073772 807291553 /nfs/dbraw/zinc/29/15/53/807291553.db2.gz GBNVZJZTMNYGME-YESZJQIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258073772 807291557 /nfs/dbraw/zinc/29/15/57/807291557.db2.gz GBNVZJZTMNYGME-YESZJQIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168040059 807302180 /nfs/dbraw/zinc/30/21/80/807302180.db2.gz KCBCRJFBACQHFO-ALXJQNPVSA-N 2 1 272.436 3.380 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258093316 807302504 /nfs/dbraw/zinc/30/25/04/807302504.db2.gz QFQGSQAEKCHJOI-XHSDSOJGSA-N 2 1 250.430 3.005 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258093316 807302513 /nfs/dbraw/zinc/30/25/13/807302513.db2.gz QFQGSQAEKCHJOI-XHSDSOJGSA-N 2 1 250.430 3.005 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258093316 807302522 /nfs/dbraw/zinc/30/25/22/807302522.db2.gz QFQGSQAEKCHJOI-XHSDSOJGSA-N 2 1 250.430 3.005 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH+]3CC4CC(C4)C3)CC2)cc1 ZINC001258148452 807319453 /nfs/dbraw/zinc/31/94/53/807319453.db2.gz ISSAZDYSDQQFDB-UHFFFAOYSA-N 2 1 284.447 3.035 20 0 CGADMP CC1(C)C[NH+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140644 807320548 /nfs/dbraw/zinc/32/05/48/807320548.db2.gz ALUJVDFXSKDPJS-UHFFFAOYSA-N 2 1 272.436 3.035 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC001258154524 807324097 /nfs/dbraw/zinc/32/40/97/807324097.db2.gz ZCJUCOVGDDXDLU-PUWUPWDNSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC001258154524 807324104 /nfs/dbraw/zinc/32/41/04/807324104.db2.gz ZCJUCOVGDDXDLU-PUWUPWDNSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2ccco2)CC1 ZINC001258192903 807353356 /nfs/dbraw/zinc/35/33/56/807353356.db2.gz NYYWTQLFAZQPNC-HNNXBMFYSA-N 2 1 278.440 3.263 20 0 CGADMP CC1CCC([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)CC1 ZINC001168220227 807353602 /nfs/dbraw/zinc/35/36/02/807353602.db2.gz UCDVMSLHPATWPG-UHFFFAOYSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1[nH+]c2ccc(N[C@H]3C[NH2+]CC[C@H]3F)cc2n1C(C)C ZINC001168226336 807356765 /nfs/dbraw/zinc/35/67/65/807356765.db2.gz DNPVHZNKHYDSBT-HIFRSBDPSA-N 2 1 290.386 3.038 20 0 CGADMP CSCC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001258200272 807359209 /nfs/dbraw/zinc/35/92/09/807359209.db2.gz RMTUAWZXIQETRG-ZDUSSCGKSA-N 2 1 258.475 3.112 20 0 CGADMP CSC(C)(C)C[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001258315470 807407592 /nfs/dbraw/zinc/40/75/92/807407592.db2.gz LULHKXGLSVFRME-CQSZACIVSA-N 2 1 272.502 3.372 20 0 CGADMP Fc1ccc2c(c1)CC[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001168443327 807417473 /nfs/dbraw/zinc/41/74/73/807417473.db2.gz ANECBOZROZYDBO-QGZVFWFLSA-N 2 1 299.393 3.219 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001168464691 807424768 /nfs/dbraw/zinc/42/47/68/807424768.db2.gz JYVJUHVMRCRCKL-XDKFSHSGSA-N 2 1 290.426 3.362 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001168464691 807424771 /nfs/dbraw/zinc/42/47/71/807424771.db2.gz JYVJUHVMRCRCKL-XDKFSHSGSA-N 2 1 290.426 3.362 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168549183 807442655 /nfs/dbraw/zinc/44/26/55/807442655.db2.gz LSQCCYMKRUJJPT-CQSZACIVSA-N 2 1 296.418 3.040 20 0 CGADMP CCCCC[C@@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258434935 807449329 /nfs/dbraw/zinc/44/93/29/807449329.db2.gz RXYJLOOBFAJDAL-OAHLLOKOSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@H](CC)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258435474 807449661 /nfs/dbraw/zinc/44/96/61/807449661.db2.gz VYNPMJIPTYWTLX-JYJNAYRXSA-N 2 1 282.472 3.316 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168685990 807478902 /nfs/dbraw/zinc/47/89/02/807478902.db2.gz VAPMZDDEGBLQBE-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@@H+]([C@@H]1Cc2cccc(Cl)c2C1)C1CCC([NH3+])CC1 ZINC001168693525 807485036 /nfs/dbraw/zinc/48/50/36/807485036.db2.gz SIARQNWFBRMBCD-JXQTWKCFSA-N 2 1 278.827 3.009 20 0 CGADMP CCCC1CCC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001258532006 807487152 /nfs/dbraw/zinc/48/71/52/807487152.db2.gz KAYUJXIDCAZLCL-GMRIPVOYSA-N 2 1 264.457 3.229 20 0 CGADMP CCCC1CCC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001258532006 807487154 /nfs/dbraw/zinc/48/71/54/807487154.db2.gz KAYUJXIDCAZLCL-GMRIPVOYSA-N 2 1 264.457 3.229 20 0 CGADMP CCCC1CCC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC001258532006 807487160 /nfs/dbraw/zinc/48/71/60/807487160.db2.gz KAYUJXIDCAZLCL-GMRIPVOYSA-N 2 1 264.457 3.229 20 0 CGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC001258604376 807501757 /nfs/dbraw/zinc/50/17/57/807501757.db2.gz BRQITTVVARYKBP-IAGOWNOFSA-N 2 1 294.483 3.140 20 0 CGADMP Cc1cc(C(F)(F)F)cc(NCC(C)(C)C[NH+](C)C)[nH+]1 ZINC001168762118 807506562 /nfs/dbraw/zinc/50/65/62/807506562.db2.gz CJHCNWDIZXFPRO-UHFFFAOYSA-N 2 1 289.345 3.409 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697508 807551537 /nfs/dbraw/zinc/55/15/37/807551537.db2.gz QUTFVZCAHJRCQE-WCVJEAGWSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697508 807551541 /nfs/dbraw/zinc/55/15/41/807551541.db2.gz QUTFVZCAHJRCQE-WCVJEAGWSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697508 807551548 /nfs/dbraw/zinc/55/15/48/807551548.db2.gz QUTFVZCAHJRCQE-WCVJEAGWSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC(C)(C)C1 ZINC001258699444 807552307 /nfs/dbraw/zinc/55/23/07/807552307.db2.gz FHJGWNIHRBGOLT-INMHGKMJSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC(C)(C)C1 ZINC001258699444 807552309 /nfs/dbraw/zinc/55/23/09/807552309.db2.gz FHJGWNIHRBGOLT-INMHGKMJSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC(C)(C)C1 ZINC001258699444 807552311 /nfs/dbraw/zinc/55/23/11/807552311.db2.gz FHJGWNIHRBGOLT-INMHGKMJSA-N 2 1 264.457 3.229 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001258705056 807560226 /nfs/dbraw/zinc/56/02/26/807560226.db2.gz VAGRFBVHGCRHMI-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC001169080376 807569227 /nfs/dbraw/zinc/56/92/27/807569227.db2.gz MWJQCKIWMWTBQQ-ZJPYXAASSA-N 2 1 270.420 3.353 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CCC[NH3+])c3ccccc31)C2 ZINC001169089334 807572183 /nfs/dbraw/zinc/57/21/83/807572183.db2.gz BSJDKTMEAKXYFF-BJWYYQGGSA-N 2 1 297.446 3.330 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cc(F)cc(F)c1)C2 ZINC001169099612 807575588 /nfs/dbraw/zinc/57/55/88/807575588.db2.gz COOHJBQHJKHZJU-MUJYYYPQSA-N 2 1 294.389 3.415 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cc(F)cc(F)c1)C2 ZINC001169099612 807575590 /nfs/dbraw/zinc/57/55/90/807575590.db2.gz COOHJBQHJKHZJU-MUJYYYPQSA-N 2 1 294.389 3.415 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC(c3ccccc3)C1)C2 ZINC001169102289 807578866 /nfs/dbraw/zinc/57/88/66/807578866.db2.gz YZEPBTNYYDZVPQ-GWDNYDDXSA-N 2 1 270.420 3.147 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC001169107608 807578946 /nfs/dbraw/zinc/57/89/46/807578946.db2.gz IGJDLVUFFUPHSY-KYHPRHEASA-N 2 1 288.435 3.361 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3)CCC1)C2 ZINC001169109175 807579097 /nfs/dbraw/zinc/57/90/97/807579097.db2.gz ZJNRHPMLKPLDJV-BJWYYQGGSA-N 2 1 270.420 3.281 20 0 CGADMP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169114065 807581197 /nfs/dbraw/zinc/58/11/97/807581197.db2.gz WBOYJLOFCXIZEY-WCXIOVBPSA-N 2 1 273.424 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C(F)(F)F)CC1)C2 ZINC001169123706 807584836 /nfs/dbraw/zinc/58/48/36/807584836.db2.gz MJWLMHQHMANMMI-HLHWALHNSA-N 2 1 290.373 3.322 20 0 CGADMP COc1cccc([C@H](C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169123411 807585089 /nfs/dbraw/zinc/58/50/89/807585089.db2.gz LAKWCZNJZXVWRP-DZUCGIPZSA-N 2 1 288.435 3.014 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccccc1)C2 ZINC001169140201 807588037 /nfs/dbraw/zinc/58/80/37/807588037.db2.gz IUEOHTCMXJGCGZ-VSZNYVQBSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1ccccc1)C2 ZINC001169140201 807588042 /nfs/dbraw/zinc/58/80/42/807588042.db2.gz IUEOHTCMXJGCGZ-VSZNYVQBSA-N 2 1 270.420 3.449 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1ccccc1)C2 ZINC001169140201 807588047 /nfs/dbraw/zinc/58/80/47/807588047.db2.gz IUEOHTCMXJGCGZ-VSZNYVQBSA-N 2 1 270.420 3.449 20 0 CGADMP C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142622 807590953 /nfs/dbraw/zinc/59/09/53/807590953.db2.gz DRSKQWRIBOLRMO-BJWYYQGGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142622 807590957 /nfs/dbraw/zinc/59/09/57/807590957.db2.gz DRSKQWRIBOLRMO-BJWYYQGGSA-N 2 1 292.854 3.440 20 0 CGADMP C[NH+](CCc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142622 807590958 /nfs/dbraw/zinc/59/09/58/807590958.db2.gz DRSKQWRIBOLRMO-BJWYYQGGSA-N 2 1 292.854 3.440 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC3(CC(F)C3)CC1)C2 ZINC001169153687 807595673 /nfs/dbraw/zinc/59/56/73/807595673.db2.gz LCNTZGJRFHAJCE-LJEMCRLJSA-N 2 1 280.431 3.216 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC3(CC(F)C3)CC1)C2 ZINC001169153687 807595677 /nfs/dbraw/zinc/59/56/77/807595677.db2.gz LCNTZGJRFHAJCE-LJEMCRLJSA-N 2 1 280.431 3.216 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC3(CC(F)C3)CC1)C2 ZINC001169153687 807595679 /nfs/dbraw/zinc/59/56/79/807595679.db2.gz LCNTZGJRFHAJCE-LJEMCRLJSA-N 2 1 280.431 3.216 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC3(CC(F)C3)CC1)C2 ZINC001169153687 807595682 /nfs/dbraw/zinc/59/56/82/807595682.db2.gz LCNTZGJRFHAJCE-LJEMCRLJSA-N 2 1 280.431 3.216 20 0 CGADMP COc1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1C ZINC001169154323 807596858 /nfs/dbraw/zinc/59/68/58/807596858.db2.gz WSZZRAXVEMFIRW-DYVFJYSZSA-N 2 1 291.439 3.354 20 0 CGADMP C[N@@H+]([C@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160199 807598135 /nfs/dbraw/zinc/59/81/35/807598135.db2.gz CCSRWLCUVWNZGO-DFGXFYAUSA-N 2 1 270.420 3.231 20 0 CGADMP C[NH+]([C@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160199 807598140 /nfs/dbraw/zinc/59/81/40/807598140.db2.gz CCSRWLCUVWNZGO-DFGXFYAUSA-N 2 1 270.420 3.231 20 0 CGADMP C[NH+]([C@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160199 807598146 /nfs/dbraw/zinc/59/81/46/807598146.db2.gz CCSRWLCUVWNZGO-DFGXFYAUSA-N 2 1 270.420 3.231 20 0 CGADMP CCCC[C@H](CCC)[N@@H+]1CCO[C@@H](CN2CCCC2)C1 ZINC001258764230 807600370 /nfs/dbraw/zinc/60/03/70/807600370.db2.gz MLCLXHHEYNXGCY-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCO[C@@H](CN2CCCC2)C1 ZINC001258764230 807600372 /nfs/dbraw/zinc/60/03/72/807600372.db2.gz MLCLXHHEYNXGCY-IRXDYDNUSA-N 2 1 282.472 3.142 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2c(C)cc(F)cc2C)CC1 ZINC001258766548 807602908 /nfs/dbraw/zinc/60/29/08/807602908.db2.gz YAUFKDANSOIKCF-UHFFFAOYSA-N 2 1 278.415 3.407 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@@H](c2cccnc2C)C2CC2)CC1 ZINC001258770197 807604409 /nfs/dbraw/zinc/60/44/09/807604409.db2.gz GXSIRQSZQOVZPT-GOSISDBHSA-N 2 1 287.451 3.305 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C)[C@H](C)C2)CC1 ZINC001258772356 807604791 /nfs/dbraw/zinc/60/47/91/807604791.db2.gz OHEUVJSBIDBSLA-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP CCCN1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001258778161 807607012 /nfs/dbraw/zinc/60/70/12/807607012.db2.gz XNSPABQLADJQIA-GOSISDBHSA-N 2 1 272.436 3.480 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001258778161 807607013 /nfs/dbraw/zinc/60/70/13/807607013.db2.gz XNSPABQLADJQIA-GOSISDBHSA-N 2 1 272.436 3.480 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001258778161 807607014 /nfs/dbraw/zinc/60/70/14/807607014.db2.gz XNSPABQLADJQIA-GOSISDBHSA-N 2 1 272.436 3.480 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC001169254403 807615113 /nfs/dbraw/zinc/61/51/13/807615113.db2.gz DTKZZDZCISOMAM-SFHVURJKSA-N 2 1 288.435 3.316 20 0 CGADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC001169254403 807615117 /nfs/dbraw/zinc/61/51/17/807615117.db2.gz DTKZZDZCISOMAM-SFHVURJKSA-N 2 1 288.435 3.316 20 0 CGADMP C[C@H]1CCC[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001258812194 807629981 /nfs/dbraw/zinc/62/99/81/807629981.db2.gz IQVMHRFEJQZXNF-OVWQWFNUSA-N 2 1 294.483 3.316 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](CC)Cc3ccccc3)C[C@@H]2C1 ZINC001258853058 807660634 /nfs/dbraw/zinc/66/06/34/807660634.db2.gz SQLARPSIHHZGFI-OTWHNJEPSA-N 2 1 286.463 3.281 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@H](F)C1 ZINC001258907977 807672617 /nfs/dbraw/zinc/67/26/17/807672617.db2.gz PGKMEHQDCFODTC-HUUCEWRRSA-N 2 1 258.425 3.321 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001170288556 807815996 /nfs/dbraw/zinc/81/59/96/807815996.db2.gz PYPPDOWNWHRPJU-CYBMUJFWSA-N 2 1 289.810 3.026 20 0 CGADMP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001170288556 807816004 /nfs/dbraw/zinc/81/60/04/807816004.db2.gz PYPPDOWNWHRPJU-CYBMUJFWSA-N 2 1 289.810 3.026 20 0 CGADMP Cc1ccc[nH+]c1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170448389 807844114 /nfs/dbraw/zinc/84/41/14/807844114.db2.gz XNPGSMJEOXUUEX-UHFFFAOYSA-N 2 1 261.413 3.453 20 0 CGADMP CC(C)CCC[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001262379271 807862914 /nfs/dbraw/zinc/86/29/14/807862914.db2.gz WIUOGWKHXOYLGD-XHSDSOJGSA-N 2 1 252.446 3.085 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170724394 807886600 /nfs/dbraw/zinc/88/66/00/807886600.db2.gz JEDDCOQOMQJWSV-WKJSRAMOSA-N 2 1 262.441 3.026 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170724394 807886608 /nfs/dbraw/zinc/88/66/08/807886608.db2.gz JEDDCOQOMQJWSV-WKJSRAMOSA-N 2 1 262.441 3.026 20 0 CGADMP CC(C)[N@@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170738160 807895034 /nfs/dbraw/zinc/89/50/34/807895034.db2.gz KQXUQGPZPWZQDQ-WFLNUHJHSA-N 2 1 264.457 3.401 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170903185 807929869 /nfs/dbraw/zinc/92/98/69/807929869.db2.gz UCDOWDKFHYYJMZ-HUUCEWRRSA-N 2 1 292.854 3.271 20 0 CGADMP Fc1cccc2c1CC[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)C2 ZINC001171439885 808059737 /nfs/dbraw/zinc/05/97/37/808059737.db2.gz FAEZDCHVASJZRN-OAHLLOKOSA-N 2 1 299.393 3.219 20 0 CGADMP Cc1ncc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)s1 ZINC001171614067 808105199 /nfs/dbraw/zinc/10/51/99/808105199.db2.gz UTBYMIVWNNUYOY-UHFFFAOYSA-N 2 1 281.469 3.193 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1(C)C ZINC001171636498 808109139 /nfs/dbraw/zinc/10/91/39/808109139.db2.gz GIYBJRSIQGWCCZ-SGMGOOAPSA-N 2 1 268.420 3.070 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001171678041 808119907 /nfs/dbraw/zinc/11/99/07/808119907.db2.gz AVOGTFGATNYHCQ-MRXNPFEDSA-N 2 1 283.419 3.071 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001171678041 808119911 /nfs/dbraw/zinc/11/99/11/808119911.db2.gz AVOGTFGATNYHCQ-MRXNPFEDSA-N 2 1 283.419 3.071 20 0 CGADMP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171961601 808159890 /nfs/dbraw/zinc/15/98/90/808159890.db2.gz AQXKMORWMHTZDO-MRXNPFEDSA-N 2 1 260.425 3.428 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3)CC1)C2 ZINC001172103161 808174061 /nfs/dbraw/zinc/17/40/61/808174061.db2.gz TXPCPJZPOKSEQP-BCDXTJNWSA-N 2 1 284.447 3.367 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3)CC1)C2 ZINC001172103161 808174064 /nfs/dbraw/zinc/17/40/64/808174064.db2.gz TXPCPJZPOKSEQP-BCDXTJNWSA-N 2 1 284.447 3.367 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104140 808175162 /nfs/dbraw/zinc/17/51/62/808175162.db2.gz DCRCYUNOTHOULT-XLAORIBOSA-N 3 1 295.515 3.102 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104140 808175164 /nfs/dbraw/zinc/17/51/64/808175164.db2.gz DCRCYUNOTHOULT-XLAORIBOSA-N 3 1 295.515 3.102 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccccc3C1)C2 ZINC001172105963 808176291 /nfs/dbraw/zinc/17/62/91/808176291.db2.gz LPZSIARXKFCHKU-OKYOBFRVSA-N 2 1 284.447 3.149 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccccc3C1)C2 ZINC001172105963 808176295 /nfs/dbraw/zinc/17/62/95/808176295.db2.gz LPZSIARXKFCHKU-OKYOBFRVSA-N 2 1 284.447 3.149 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172105378 808176536 /nfs/dbraw/zinc/17/65/36/808176536.db2.gz HXJZOPYEELMTDS-JONQDZQNSA-N 2 1 273.424 3.056 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107133 808176937 /nfs/dbraw/zinc/17/69/37/808176937.db2.gz SOZMVTFZBOTXFA-JONQDZQNSA-N 2 1 252.446 3.416 20 0 CGADMP CC(C)CC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107133 808176939 /nfs/dbraw/zinc/17/69/39/808176939.db2.gz SOZMVTFZBOTXFA-JONQDZQNSA-N 2 1 252.446 3.416 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001172117817 808180235 /nfs/dbraw/zinc/18/02/35/808180235.db2.gz NHNNSICFBWAKFA-QKDCVEJESA-N 2 1 288.410 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001172117817 808180237 /nfs/dbraw/zinc/18/02/37/808180237.db2.gz NHNNSICFBWAKFA-QKDCVEJESA-N 2 1 288.410 3.420 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)C2 ZINC001172119288 808184341 /nfs/dbraw/zinc/18/43/41/808184341.db2.gz YBFOOYKNNMYQEP-FJIDUMEYSA-N 2 1 285.435 3.138 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)C2 ZINC001172119288 808184343 /nfs/dbraw/zinc/18/43/43/808184343.db2.gz YBFOOYKNNMYQEP-FJIDUMEYSA-N 2 1 285.435 3.138 20 0 CGADMP CC(C)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172128872 808187049 /nfs/dbraw/zinc/18/70/49/808187049.db2.gz VDPYEZQVXNJIIS-FVQHAEBGSA-N 2 1 264.457 3.370 20 0 CGADMP CC(C)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172128872 808187052 /nfs/dbraw/zinc/18/70/52/808187052.db2.gz VDPYEZQVXNJIIS-FVQHAEBGSA-N 2 1 264.457 3.370 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231639 808204734 /nfs/dbraw/zinc/20/47/34/808204734.db2.gz SRRCGJLLNRTUPT-DUQJVZAFSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231639 808204743 /nfs/dbraw/zinc/20/47/43/808204743.db2.gz SRRCGJLLNRTUPT-DUQJVZAFSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231639 808204747 /nfs/dbraw/zinc/20/47/47/808204747.db2.gz SRRCGJLLNRTUPT-DUQJVZAFSA-N 2 1 292.467 3.035 20 0 CGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)CC(C)(C)C)CC1 ZINC001172247397 808208874 /nfs/dbraw/zinc/20/88/74/808208874.db2.gz NLECSMYZYURQFA-UHFFFAOYSA-N 2 1 284.488 3.292 20 0 CGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)C2CCCCC2)CC1 ZINC001172250640 808210016 /nfs/dbraw/zinc/21/00/16/808210016.db2.gz UELVDZCVXDTNRT-UHFFFAOYSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172341524 808242038 /nfs/dbraw/zinc/24/20/38/808242038.db2.gz GVEZHEDIMBSZLT-BQJWPVKWSA-N 2 1 282.472 3.185 20 0 CGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172341524 808242042 /nfs/dbraw/zinc/24/20/42/808242042.db2.gz GVEZHEDIMBSZLT-BQJWPVKWSA-N 2 1 282.472 3.185 20 0 CGADMP C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C[C@@H]1C ZINC001172375594 808269171 /nfs/dbraw/zinc/26/91/71/808269171.db2.gz DHOYMJMBWYOWTJ-JKIFEVAISA-N 2 1 264.457 3.370 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1c(F)cccc1Cl ZINC001172837555 808453386 /nfs/dbraw/zinc/45/33/86/808453386.db2.gz NVZIMKIJHABPEI-NSHDSACASA-N 2 1 295.789 3.205 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001172849602 808461978 /nfs/dbraw/zinc/46/19/78/808461978.db2.gz OSJZOFRYTSDGPO-OZVIIMIRSA-N 2 1 298.833 3.340 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172849602 808461981 /nfs/dbraw/zinc/46/19/81/808461981.db2.gz OSJZOFRYTSDGPO-OZVIIMIRSA-N 2 1 298.833 3.340 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)n1cc[nH+]c1CCC[NH3+] ZINC001172849786 808462147 /nfs/dbraw/zinc/46/21/47/808462147.db2.gz PQJFOJDXPIRJJJ-NSHDSACASA-N 2 1 295.789 3.371 20 0 CGADMP CC[NH+](CC)C1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC001173104039 808510731 /nfs/dbraw/zinc/51/07/31/808510731.db2.gz DCKAKYCHMDMMLK-UHFFFAOYSA-N 3 1 297.531 3.348 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@](C)(CO)CC2)CC1 ZINC001173110209 808514019 /nfs/dbraw/zinc/51/40/19/808514019.db2.gz PZTZFNBRYIDRDY-ABHNRTSZSA-N 2 1 296.499 3.124 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001173247276 808555724 /nfs/dbraw/zinc/55/57/24/808555724.db2.gz OANOGICQOUCLNZ-APWZRJJASA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001173247276 808555728 /nfs/dbraw/zinc/55/57/28/808555728.db2.gz OANOGICQOUCLNZ-APWZRJJASA-N 2 1 286.463 3.208 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001173247276 808555733 /nfs/dbraw/zinc/55/57/33/808555733.db2.gz OANOGICQOUCLNZ-APWZRJJASA-N 2 1 286.463 3.208 20 0 CGADMP CCSC[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001173304206 808601448 /nfs/dbraw/zinc/60/14/48/808601448.db2.gz GBIGFKPMWGTHPX-JKSUJKDBSA-N 2 1 284.513 3.468 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCC[N@H+](CCOC)C2 ZINC001274980344 808896912 /nfs/dbraw/zinc/89/69/12/808896912.db2.gz JKKHIKMXHNKKOM-QGZVFWFLSA-N 2 1 296.499 3.247 20 0 CGADMP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](CCOC)C2 ZINC001274980344 808896917 /nfs/dbraw/zinc/89/69/17/808896917.db2.gz JKKHIKMXHNKKOM-QGZVFWFLSA-N 2 1 296.499 3.247 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCCN(Cc3cc4ccoc4cn3)C2)C1 ZINC001275504608 808942141 /nfs/dbraw/zinc/94/21/41/808942141.db2.gz FIUBLQJWXKINAJ-GOSISDBHSA-N 2 1 299.418 3.136 20 0 CGADMP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccoc2)C3)c1 ZINC001275943275 808977913 /nfs/dbraw/zinc/97/79/13/808977913.db2.gz FQWCQHUJQAAUID-GOSISDBHSA-N 2 1 299.418 3.096 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(C)cc12 ZINC001276054690 808986278 /nfs/dbraw/zinc/98/62/78/808986278.db2.gz LZXQFZDHXNUNCV-MQVJKMGUSA-N 2 1 283.419 3.191 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2C ZINC001276054144 808986708 /nfs/dbraw/zinc/98/67/08/808986708.db2.gz FKBKYSAEEZYSEI-MQVJKMGUSA-N 2 1 283.419 3.191 20 0 CGADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)ccc1F ZINC001276230415 808994993 /nfs/dbraw/zinc/99/49/93/808994993.db2.gz ZMSBGLNFFYFDMV-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1ccc(F)c(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276243969 808995543 /nfs/dbraw/zinc/99/55/43/808995543.db2.gz NQHVPPDEHMIHCO-GOSISDBHSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001276243500 808995906 /nfs/dbraw/zinc/99/59/06/808995906.db2.gz GWZKWIMWSIWAAW-LJQANCHMSA-N 2 1 297.446 3.476 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276521917 809014000 /nfs/dbraw/zinc/01/40/00/809014000.db2.gz DIBVAAFUHBSOMA-AWFCHZOYSA-N 2 1 250.430 3.151 20 0 CGADMP CC/C=C\CC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276521917 809014008 /nfs/dbraw/zinc/01/40/08/809014008.db2.gz DIBVAAFUHBSOMA-AWFCHZOYSA-N 2 1 250.430 3.151 20 0 CGADMP CC/C=C\CC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276521917 809014016 /nfs/dbraw/zinc/01/40/16/809014016.db2.gz DIBVAAFUHBSOMA-AWFCHZOYSA-N 2 1 250.430 3.151 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001276646689 809024219 /nfs/dbraw/zinc/02/42/19/809024219.db2.gz GYSVAIDURSAAAT-UHFFFAOYSA-N 2 1 264.457 3.375 20 0 CGADMP Cn1ccc2ccc(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)cc21 ZINC001276845908 809038005 /nfs/dbraw/zinc/03/80/05/809038005.db2.gz IPOBVHBZEMQRGP-UHFFFAOYSA-N 2 1 297.446 3.096 20 0 CGADMP Cc1cc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)cs1 ZINC001277310828 809068874 /nfs/dbraw/zinc/06/88/74/809068874.db2.gz VIZVMFXFDFKVDC-MRXNPFEDSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cs1 ZINC001277310828 809068877 /nfs/dbraw/zinc/06/88/77/809068877.db2.gz VIZVMFXFDFKVDC-MRXNPFEDSA-N 2 1 278.465 3.364 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cs1 ZINC001277310828 809068887 /nfs/dbraw/zinc/06/88/87/809068887.db2.gz VIZVMFXFDFKVDC-MRXNPFEDSA-N 2 1 278.465 3.364 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1c[nH]c3ccccc13)C2 ZINC001278166458 809117540 /nfs/dbraw/zinc/11/75/40/809117540.db2.gz GDWLTHUCPZDMAH-LJQANCHMSA-N 2 1 297.446 3.128 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001278166458 809117541 /nfs/dbraw/zinc/11/75/41/809117541.db2.gz GDWLTHUCPZDMAH-LJQANCHMSA-N 2 1 297.446 3.128 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001278166458 809117543 /nfs/dbraw/zinc/11/75/43/809117543.db2.gz GDWLTHUCPZDMAH-LJQANCHMSA-N 2 1 297.446 3.128 20 0 CGADMP C[N@H+]1CCC=C(Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001175575835 809458663 /nfs/dbraw/zinc/45/86/63/809458663.db2.gz BYMJILUOAAMKNV-UHFFFAOYSA-N 2 1 285.435 3.304 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001176202397 809646070 /nfs/dbraw/zinc/64/60/70/809646070.db2.gz LYZZQHZOYPAHDW-KBPBESRZSA-N 2 1 292.389 3.383 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001176202397 809646077 /nfs/dbraw/zinc/64/60/77/809646077.db2.gz LYZZQHZOYPAHDW-KBPBESRZSA-N 2 1 292.389 3.383 20 0 CGADMP C[NH+](C)CCOc1ccc(Nc2c[nH+]c3ccccn23)cc1 ZINC001176224608 809651129 /nfs/dbraw/zinc/65/11/29/809651129.db2.gz ZLKZARGJCMCKHA-UHFFFAOYSA-N 2 1 296.374 3.018 20 0 CGADMP Cc1ccc(OC(F)F)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC001177136219 809782536 /nfs/dbraw/zinc/78/25/36/809782536.db2.gz JDPYTBOIMIXWJL-UHFFFAOYSA-N 2 1 298.377 3.172 20 0 CGADMP CCc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC001177542251 809807234 /nfs/dbraw/zinc/80/72/34/809807234.db2.gz LOEMLIMGCHMCCQ-OAHLLOKOSA-N 2 1 260.425 3.071 20 0 CGADMP CC[C@@H](COC)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001177920904 809831538 /nfs/dbraw/zinc/83/15/38/809831538.db2.gz YRXZFXQQNHKEND-KRWDZBQOSA-N 2 1 292.467 3.159 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001178661689 809880687 /nfs/dbraw/zinc/88/06/87/809880687.db2.gz VIWOZVQXKPKXBO-QLFBSQMISA-N 2 1 270.486 3.125 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001178661689 809880694 /nfs/dbraw/zinc/88/06/94/809880694.db2.gz VIWOZVQXKPKXBO-QLFBSQMISA-N 2 1 270.486 3.125 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc4ccccc4s3)[C@@H]2C1 ZINC001179817671 809948811 /nfs/dbraw/zinc/94/88/11/809948811.db2.gz RHWREYAXVVBKSA-IMJJTQAJSA-N 2 1 286.444 3.331 20 0 CGADMP CC(C)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001179838494 809949612 /nfs/dbraw/zinc/94/96/12/809949612.db2.gz ZRORXQKDKVDIJX-ZWKOTPCHSA-N 2 1 272.436 3.285 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](C)CCc2ccccc2C)CC1 ZINC001182020426 810090082 /nfs/dbraw/zinc/09/00/82/810090082.db2.gz JPUICZPXUVWVBF-UHFFFAOYSA-N 2 1 274.452 3.201 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC001182153025 810096339 /nfs/dbraw/zinc/09/63/39/810096339.db2.gz WEBJVQXUBKBLOY-OAGGEKHMSA-N 2 1 284.488 3.290 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC001182153025 810096341 /nfs/dbraw/zinc/09/63/41/810096341.db2.gz WEBJVQXUBKBLOY-OAGGEKHMSA-N 2 1 284.488 3.290 20 0 CGADMP C[C@H]1CCC[C@H](C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001182308030 810103406 /nfs/dbraw/zinc/10/34/06/810103406.db2.gz DVTJSSBIQQCTAT-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CCC[C@H](C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001182308030 810103408 /nfs/dbraw/zinc/10/34/08/810103408.db2.gz DVTJSSBIQQCTAT-GJZGRUSLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3ccccc3[C@H](C)C2)CC1 ZINC001182734631 810122497 /nfs/dbraw/zinc/12/24/97/810122497.db2.gz YAQMBVNAMIXYEA-MRXNPFEDSA-N 2 1 286.463 3.380 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CC2CCC1CC2 ZINC001191173860 810685849 /nfs/dbraw/zinc/68/58/49/810685849.db2.gz JQAHMGARJFMGHB-MYBQVCMBSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CC2CCC1CC2 ZINC001191173860 810685854 /nfs/dbraw/zinc/68/58/54/810685854.db2.gz JQAHMGARJFMGHB-MYBQVCMBSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CC2CCC1CC2 ZINC001191173860 810685856 /nfs/dbraw/zinc/68/58/56/810685856.db2.gz JQAHMGARJFMGHB-MYBQVCMBSA-N 2 1 264.457 3.086 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001199335698 811572429 /nfs/dbraw/zinc/57/24/29/811572429.db2.gz AIFLGUQMNOIXTO-PMPSAXMXSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201478495 811856000 /nfs/dbraw/zinc/85/60/00/811856000.db2.gz MYIPPBJMSUUDDX-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP CC(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201478495 811856006 /nfs/dbraw/zinc/85/60/06/811856006.db2.gz MYIPPBJMSUUDDX-ZWKOTPCHSA-N 2 1 272.436 3.096 20 0 CGADMP Cc1cccc(C)c1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001201607494 811919853 /nfs/dbraw/zinc/91/98/53/811919853.db2.gz FCSZEZZBPXBFBJ-UHFFFAOYSA-N 2 1 269.392 3.054 20 0 CGADMP CC(C)CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626960 811924951 /nfs/dbraw/zinc/92/49/51/811924951.db2.gz QQDFQGSJWZVJJZ-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626960 811924953 /nfs/dbraw/zinc/92/49/53/811924953.db2.gz QQDFQGSJWZVJJZ-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626960 811924959 /nfs/dbraw/zinc/92/49/59/811924959.db2.gz QQDFQGSJWZVJJZ-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001203914218 812489262 /nfs/dbraw/zinc/48/92/62/812489262.db2.gz LRJDSTJLZDQHFL-UHFFFAOYSA-N 2 1 299.393 3.268 20 0 CGADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC001204181838 812569106 /nfs/dbraw/zinc/56/91/06/812569106.db2.gz BEQDHTBJHRRGFV-YPMHNXCESA-N 2 1 299.245 3.377 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2cccc(F)c2C)CC1 ZINC001204511958 812660527 /nfs/dbraw/zinc/66/05/27/812660527.db2.gz CLQMZQTVUWLMRD-UHFFFAOYSA-N 2 1 264.388 3.050 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727873 812719141 /nfs/dbraw/zinc/71/91/41/812719141.db2.gz SZNWZSIJSAOBBQ-UHFFFAOYSA-N 2 1 264.457 3.422 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)s1 ZINC001205009548 812823714 /nfs/dbraw/zinc/82/37/14/812823714.db2.gz WRCHRRJVYIUIGL-CYBMUJFWSA-N 2 1 266.454 3.132 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2Cl)C1 ZINC001205018886 812829159 /nfs/dbraw/zinc/82/91/59/812829159.db2.gz ZTYYVANVWRPPPY-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2Cl)C1 ZINC001205018886 812829168 /nfs/dbraw/zinc/82/91/68/812829168.db2.gz ZTYYVANVWRPPPY-AWEZNQCLSA-N 2 1 280.843 3.388 20 0 CGADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205101254 812865405 /nfs/dbraw/zinc/86/54/05/812865405.db2.gz CGJASBBVYORGNM-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205101254 812865416 /nfs/dbraw/zinc/86/54/16/812865416.db2.gz CGJASBBVYORGNM-ZDUSSCGKSA-N 2 1 297.240 3.071 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001205110532 812871994 /nfs/dbraw/zinc/87/19/94/812871994.db2.gz VIMZXWDUAIVBAX-CYBMUJFWSA-N 2 1 277.799 3.135 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(C)c1Cl ZINC001205124301 812876076 /nfs/dbraw/zinc/87/60/76/812876076.db2.gz NSMJEZKXYRPRRG-CQSZACIVSA-N 2 1 266.816 3.270 20 0 CGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124479 812878353 /nfs/dbraw/zinc/87/83/53/812878353.db2.gz SEQWVVMRIQMOEH-LBPRGKRZSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124479 812878361 /nfs/dbraw/zinc/87/83/61/812878361.db2.gz SEQWVVMRIQMOEH-LBPRGKRZSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124556 812878705 /nfs/dbraw/zinc/87/87/05/812878705.db2.gz VEVKYOCDIKYTAT-INIZCTEOSA-N 2 1 290.451 3.404 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC001205255128 812917969 /nfs/dbraw/zinc/91/79/69/812917969.db2.gz HFBOKWGJRYZUJN-OAHLLOKOSA-N 2 1 266.816 3.086 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c2c1 ZINC001205264822 812922285 /nfs/dbraw/zinc/92/22/85/812922285.db2.gz NFBKRLMBWFDHAQ-QGZVFWFLSA-N 2 1 271.408 3.180 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c21 ZINC001205274336 812926261 /nfs/dbraw/zinc/92/62/61/812926261.db2.gz VLHMCRWMXIWFLQ-QGZVFWFLSA-N 2 1 271.408 3.180 20 0 CGADMP COc1cccc(Cl)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273864 812926347 /nfs/dbraw/zinc/92/63/47/812926347.db2.gz QKZMLUWCEGGYJQ-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273864 812926351 /nfs/dbraw/zinc/92/63/51/812926351.db2.gz QKZMLUWCEGGYJQ-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288024 812931848 /nfs/dbraw/zinc/93/18/48/812931848.db2.gz FSJIUOONJPZHSK-KRWDZBQOSA-N 2 1 294.414 3.318 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288024 812931851 /nfs/dbraw/zinc/93/18/51/812931851.db2.gz FSJIUOONJPZHSK-KRWDZBQOSA-N 2 1 294.414 3.318 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@@H]1C[NH3+] ZINC001205295532 812936517 /nfs/dbraw/zinc/93/65/17/812936517.db2.gz ABERXPFSGWVHSB-AEFFLSMTSA-N 2 1 274.452 3.316 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296264 812937200 /nfs/dbraw/zinc/93/72/00/812937200.db2.gz KGPFQKZOEAXJSB-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296264 812937207 /nfs/dbraw/zinc/93/72/07/812937207.db2.gz KGPFQKZOEAXJSB-KRWDZBQOSA-N 2 1 294.414 3.316 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1(C)C ZINC001205297140 812937317 /nfs/dbraw/zinc/93/73/17/812937317.db2.gz ZWGQXLTZAQUGMF-NUEKZKHPSA-N 2 1 264.457 3.286 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C[C@@H]1C[NH3+] ZINC001205303395 812942061 /nfs/dbraw/zinc/94/20/61/812942061.db2.gz DORNOGFLEMZAPY-ZBFHGGJFSA-N 2 1 290.451 3.281 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205317973 812950636 /nfs/dbraw/zinc/95/06/36/812950636.db2.gz RDMKWKLYYDBTPH-DZGCQCFKSA-N 2 1 294.414 3.031 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205317973 812950640 /nfs/dbraw/zinc/95/06/40/812950640.db2.gz RDMKWKLYYDBTPH-DZGCQCFKSA-N 2 1 294.414 3.031 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205317966 812950868 /nfs/dbraw/zinc/95/08/68/812950868.db2.gz RBIXNAZHDXELQU-FZMZJTMJSA-N 2 1 280.843 3.374 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205318829 812952834 /nfs/dbraw/zinc/95/28/34/812952834.db2.gz WWAYNIRCAAPYNI-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205318829 812952837 /nfs/dbraw/zinc/95/28/37/812952837.db2.gz WWAYNIRCAAPYNI-OCCSQVGLSA-N 2 1 296.842 3.155 20 0 CGADMP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)c2ccccc12 ZINC001205324844 812955068 /nfs/dbraw/zinc/95/50/68/812955068.db2.gz GYKOHFLFCVDRBU-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)c2ccccc12 ZINC001205324844 812955072 /nfs/dbraw/zinc/95/50/72/812955072.db2.gz GYKOHFLFCVDRBU-CQSZACIVSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cc2ccccc2s1 ZINC001205325634 812956394 /nfs/dbraw/zinc/95/63/94/812956394.db2.gz QFJVONCZJRDOQX-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cc2ccccc2s1 ZINC001205325634 812956397 /nfs/dbraw/zinc/95/63/97/812956397.db2.gz QFJVONCZJRDOQX-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@@H]3C)cc2)o1 ZINC001205333204 812960211 /nfs/dbraw/zinc/96/02/11/812960211.db2.gz XTAFTORPPQWONM-AWEZNQCLSA-N 2 1 284.403 3.439 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)cc2)o1 ZINC001205333204 812960217 /nfs/dbraw/zinc/96/02/17/812960217.db2.gz XTAFTORPPQWONM-AWEZNQCLSA-N 2 1 284.403 3.439 20 0 CGADMP c1ccc([C@H]2CC[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001205339925 812963819 /nfs/dbraw/zinc/96/38/19/812963819.db2.gz NYQVYMOSKUQQRQ-FQEVSTJZSA-N 2 1 292.426 3.322 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001205545723 812999547 /nfs/dbraw/zinc/99/95/47/812999547.db2.gz MQIGFAKMRRLHIO-ARFHVFGLSA-N 2 1 268.420 3.132 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC001205559911 813002936 /nfs/dbraw/zinc/00/29/36/813002936.db2.gz XACCSNYYNZKMPX-QGZVFWFLSA-N 2 1 276.399 3.217 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(C)c1 ZINC001205558119 813002979 /nfs/dbraw/zinc/00/29/79/813002979.db2.gz BXEGHZGUMOUQLT-KRWDZBQOSA-N 2 1 294.414 3.047 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Cl ZINC001205570243 813008764 /nfs/dbraw/zinc/00/87/64/813008764.db2.gz HMOCEFPMVIBIMQ-OAHLLOKOSA-N 2 1 284.806 3.301 20 0 CGADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205603022 813019876 /nfs/dbraw/zinc/01/98/76/813019876.db2.gz MWSKJJISNDGETB-DOTOQJQBSA-N 2 1 260.425 3.110 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)CC[C@H]1C[NH3+] ZINC001205603333 813020461 /nfs/dbraw/zinc/02/04/61/813020461.db2.gz ODJFMNCTNQQBIV-MNOVXSKESA-N 2 1 272.845 3.208 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC001205604678 813021357 /nfs/dbraw/zinc/02/13/57/813021357.db2.gz VZOMJUOUGPZRBC-GDBMZVCRSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)CC[C@@H]1C[NH3+] ZINC001205605171 813021569 /nfs/dbraw/zinc/02/15/69/813021569.db2.gz ZNRNHFOLDAQONC-TZMCWYRMSA-N 2 1 274.399 3.119 20 0 CGADMP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205617411 813027129 /nfs/dbraw/zinc/02/71/29/813027129.db2.gz JLNCWTDEKTYRDU-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205618499 813028332 /nfs/dbraw/zinc/02/83/32/813028332.db2.gz WQDTYBXMLYEDJL-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1C[NH3+] ZINC001205618510 813029036 /nfs/dbraw/zinc/02/90/36/813029036.db2.gz WSESOFOKIHAQCF-AAEUAGOBSA-N 2 1 284.806 3.286 20 0 CGADMP CC(C)c1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cs1 ZINC001205618317 813029725 /nfs/dbraw/zinc/02/97/25/813029725.db2.gz ULCOGVBYSOWHTQ-STQMWFEESA-N 2 1 281.469 3.073 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c3ccccc23)CC[C@H]1C[NH3+] ZINC001205617698 813029914 /nfs/dbraw/zinc/02/99/14/813029914.db2.gz MNBRQQSIXDTATH-CABCVRRESA-N 2 1 298.430 3.352 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC[C@H]1C[NH3+] ZINC001205627487 813031699 /nfs/dbraw/zinc/03/16/99/813031699.db2.gz PYTXNSZNQBMJGZ-AEFFLSMTSA-N 2 1 297.446 3.284 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205626457 813032191 /nfs/dbraw/zinc/03/21/91/813032191.db2.gz GIUVEWBRZTZSSX-YJBOKZPZSA-N 2 1 274.452 3.446 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Cl ZINC001205627974 813034234 /nfs/dbraw/zinc/03/42/34/813034234.db2.gz TVLWZHNSFGOMNW-DOMZBBRYSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205629439 813034643 /nfs/dbraw/zinc/03/46/43/813034643.db2.gz YWCHQPIXLOSQKT-OCCSQVGLSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cnc1C1CC1 ZINC001205651937 813042004 /nfs/dbraw/zinc/04/20/04/813042004.db2.gz MDTSSJTVKVSQIS-CXAGYDPISA-N 2 1 287.451 3.074 20 0 CGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H](C)CC(C)C ZINC001205677668 813048920 /nfs/dbraw/zinc/04/89/20/813048920.db2.gz FKIMLESNXHIETC-ROUUACIJSA-N 2 1 297.531 3.017 20 0 CGADMP C[C@@H](CC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1)CC(C)(C)C ZINC001205736488 813063796 /nfs/dbraw/zinc/06/37/96/813063796.db2.gz ZLGGLWZPVQWVAG-QWHCGFSZSA-N 2 1 276.415 3.365 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205736501 813064539 /nfs/dbraw/zinc/06/45/39/813064539.db2.gz ZXKKQDOKDVRURQ-VQTKUKTRSA-N 2 1 274.399 3.429 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205803311 813083887 /nfs/dbraw/zinc/08/38/87/813083887.db2.gz FYPGHMBUVQRKTR-HIFRSBDPSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205803311 813083895 /nfs/dbraw/zinc/08/38/95/813083895.db2.gz FYPGHMBUVQRKTR-HIFRSBDPSA-N 2 1 271.408 3.036 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205802325 813084136 /nfs/dbraw/zinc/08/41/36/813084136.db2.gz BKZNWONRLXFEPB-YOEHRIQHSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205802325 813084140 /nfs/dbraw/zinc/08/41/40/813084140.db2.gz BKZNWONRLXFEPB-YOEHRIQHSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205863273 813113057 /nfs/dbraw/zinc/11/30/57/813113057.db2.gz NWYJMHFLWAGROW-XHSDSOJGSA-N 2 1 252.446 3.428 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(O)c2ccccc12 ZINC001205903335 813124887 /nfs/dbraw/zinc/12/48/87/813124887.db2.gz OTQMTQZQUJDWFN-UONOGXRCSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2cc(O)ccc2c1 ZINC001205904292 813126328 /nfs/dbraw/zinc/12/63/28/813126328.db2.gz UHVKNGUKWRPRJM-SUMWQHHRSA-N 2 1 284.403 3.105 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2c1cccc2Cl ZINC001205904443 813126356 /nfs/dbraw/zinc/12/63/56/813126356.db2.gz VGDXRNKZRHVFDL-NWDGAFQWSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205904374 813127036 /nfs/dbraw/zinc/12/70/36/813127036.db2.gz URZXUCKKWLENRF-KGLIPLIRSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(O)cc2ccccc21 ZINC001205913508 813129600 /nfs/dbraw/zinc/12/96/00/813129600.db2.gz IWXLSZCXHABANW-HIFRSBDPSA-N 2 1 284.403 3.105 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205916095 813132519 /nfs/dbraw/zinc/13/25/19/813132519.db2.gz RTDOJPXYWJTNPA-PBHICJAKSA-N 2 1 260.425 3.369 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923903 813135992 /nfs/dbraw/zinc/13/59/92/813135992.db2.gz PWWQPNLVFVJKRY-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923903 813135995 /nfs/dbraw/zinc/13/59/95/813135995.db2.gz PWWQPNLVFVJKRY-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@H]1C[N@@H+](CC2CCC(F)(F)CC2)CCC[C@@H]1C[NH3+] ZINC001205983963 813151561 /nfs/dbraw/zinc/15/15/61/813151561.db2.gz QOIPNQUORWIXIF-GXTWGEPZSA-N 2 1 274.399 3.119 20 0 CGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)CCC[C@H]1C[NH3+] ZINC001205993594 813154795 /nfs/dbraw/zinc/15/47/95/813154795.db2.gz IDUNTILFOZMJAX-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205994324 813155523 /nfs/dbraw/zinc/15/55/23/813155523.db2.gz KUSGJBIKLRJGHM-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205993088 813155855 /nfs/dbraw/zinc/15/58/55/813155855.db2.gz GXLQGDPXUYLIOJ-AAEUAGOBSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(C)s1 ZINC001205996157 813156507 /nfs/dbraw/zinc/15/65/07/813156507.db2.gz VMINMOUISQOZSH-RISCZKNCSA-N 2 1 266.454 3.172 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)c3ccccc23)CCC[C@H]1C[NH3+] ZINC001205995314 813156787 /nfs/dbraw/zinc/15/67/87/813156787.db2.gz NPYAMXYRUHRUCS-CABCVRRESA-N 2 1 298.430 3.352 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205995699 813156800 /nfs/dbraw/zinc/15/68/00/813156800.db2.gz PLBNYEONEKTGDQ-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001205995896 813156937 /nfs/dbraw/zinc/15/69/37/813156937.db2.gz RPWXWMHTQVJPOI-DGCLKSJQSA-N 2 1 284.806 3.286 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c[nH]c21 ZINC001205997013 813157914 /nfs/dbraw/zinc/15/79/14/813157914.db2.gz YRKICIOLIWREAL-HUUCEWRRSA-N 2 1 285.435 3.283 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c[nH]c2c1 ZINC001205996587 813158366 /nfs/dbraw/zinc/15/83/66/813158366.db2.gz XNASEWADNAVGIV-CABCVRRESA-N 2 1 285.435 3.283 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206004051 813160649 /nfs/dbraw/zinc/16/06/49/813160649.db2.gz PHWSDKCPHNLOSO-NVXWUHKLSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@H]1C[N@@H+](Cc2coc3ccccc23)CCC[C@H]1C[NH3+] ZINC001206004362 813160799 /nfs/dbraw/zinc/16/07/99/813160799.db2.gz RXKUMXKCLRDNQM-KBPBESRZSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@H]1C[N@@H+](Cc2coc3ccccc23)CCC[C@@H]1C[NH3+] ZINC001206004364 813160855 /nfs/dbraw/zinc/16/08/55/813160855.db2.gz RXKUMXKCLRDNQM-UONOGXRCSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2coc3ccc(F)cc23)CCC[C@@H]1C[NH3+] ZINC001206003610 813161419 /nfs/dbraw/zinc/16/14/19/813161419.db2.gz KFGUACNXXWFXNR-CHWSQXEVSA-N 2 1 290.382 3.379 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC001206003707 813161462 /nfs/dbraw/zinc/16/14/62/813161462.db2.gz LLNLVRHGQAEFJQ-HIFRSBDPSA-N 2 1 280.843 3.455 20 0 CGADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206004013 813161566 /nfs/dbraw/zinc/16/15/66/813161566.db2.gz OTMTZRUDUXZQOJ-STQMWFEESA-N 2 1 296.842 3.155 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206005971 813162172 /nfs/dbraw/zinc/16/21/72/813162172.db2.gz ZQSVDYGLMNIWMC-KGLIPLIRSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccnc(C(C)(C)C)c2)CCC[C@H]1C[NH3+] ZINC001206014060 813166348 /nfs/dbraw/zinc/16/63/48/813166348.db2.gz VUOXCYIXKYMOKB-ZBFHGGJFSA-N 2 1 289.467 3.186 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1(C)C ZINC001206157367 813218411 /nfs/dbraw/zinc/21/84/11/813218411.db2.gz YCRHLEYBTKSQLP-QLFBSQMISA-N 2 1 268.420 3.130 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1(C)C ZINC001206157367 813218416 /nfs/dbraw/zinc/21/84/16/813218416.db2.gz YCRHLEYBTKSQLP-QLFBSQMISA-N 2 1 268.420 3.130 20 0 CGADMP CCCCOc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206163219 813220654 /nfs/dbraw/zinc/22/06/54/813220654.db2.gz ASGKQBZZZGFTAO-SJORKVTESA-N 2 1 294.414 3.127 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1F ZINC001206163667 813221281 /nfs/dbraw/zinc/22/12/81/813221281.db2.gz DPVQBJRYKXWLTK-UONOGXRCSA-N 2 1 278.396 3.163 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2)CC[C@@H]1F ZINC001206175228 813226788 /nfs/dbraw/zinc/22/67/88/813226788.db2.gz SPRVXZLFKRDPQR-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)CC[C@@H]1F ZINC001206175228 813226792 /nfs/dbraw/zinc/22/67/92/813226792.db2.gz SPRVXZLFKRDPQR-ROUUACIJSA-N 2 1 299.393 3.010 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206198148 813235889 /nfs/dbraw/zinc/23/58/89/813235889.db2.gz LCRKJMWWNVEKSK-UONOGXRCSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206198148 813235893 /nfs/dbraw/zinc/23/58/93/813235893.db2.gz LCRKJMWWNVEKSK-UONOGXRCSA-N 2 1 284.806 3.218 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccncc2)CC[C@H]1F ZINC001206198616 813236206 /nfs/dbraw/zinc/23/62/06/813236206.db2.gz MZNTYRKEGATVJX-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccncc2)CC[C@H]1F ZINC001206198616 813236209 /nfs/dbraw/zinc/23/62/09/813236209.db2.gz MZNTYRKEGATVJX-MSOLQXFVSA-N 2 1 299.393 3.010 20 0 CGADMP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206200148 813236729 /nfs/dbraw/zinc/23/67/29/813236729.db2.gz QROXYGFFFUUZPX-HZPDHXFCSA-N 2 1 294.414 3.125 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206199705 813237089 /nfs/dbraw/zinc/23/70/89/813237089.db2.gz PCMNYDNXSQCOBH-LSDHHAIUSA-N 2 1 294.414 3.125 20 0 CGADMP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206199705 813237094 /nfs/dbraw/zinc/23/70/94/813237094.db2.gz PCMNYDNXSQCOBH-LSDHHAIUSA-N 2 1 294.414 3.125 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257926 813260034 /nfs/dbraw/zinc/26/00/34/813260034.db2.gz NBLURSOUGYBZPM-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257926 813260038 /nfs/dbraw/zinc/26/00/38/813260038.db2.gz NBLURSOUGYBZPM-LBPRGKRZSA-N 2 1 274.433 3.394 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001206276568 813266789 /nfs/dbraw/zinc/26/67/89/813266789.db2.gz GLCVMYQIGNTFMP-MRXNPFEDSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001206276568 813266793 /nfs/dbraw/zinc/26/67/93/813266793.db2.gz GLCVMYQIGNTFMP-MRXNPFEDSA-N 2 1 280.415 3.395 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc3ccccc3c2)CC1 ZINC001206304211 813279807 /nfs/dbraw/zinc/27/98/07/813279807.db2.gz HMCOBLQECCYMQY-SFHVURJKSA-N 2 1 283.419 3.186 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c21 ZINC001206304399 813280231 /nfs/dbraw/zinc/28/02/31/813280231.db2.gz JWSONNZWXYXJOO-SFHVURJKSA-N 2 1 285.435 3.427 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206304446 813280694 /nfs/dbraw/zinc/28/06/94/813280694.db2.gz KVKNSMFACFCDSZ-INIZCTEOSA-N 2 1 264.388 3.085 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206305407 813282332 /nfs/dbraw/zinc/28/23/32/813282332.db2.gz YLXQURDTVRYBMB-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP Cn1c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc2ccccc21 ZINC001206311774 813284575 /nfs/dbraw/zinc/28/45/75/813284575.db2.gz UUTKXIOCJKUDEO-GOSISDBHSA-N 2 1 285.435 3.129 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311491 813284933 /nfs/dbraw/zinc/28/49/33/813284933.db2.gz PYLUNBJHVGZESE-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cncc3ccccc32)CC1 ZINC001206312090 813286085 /nfs/dbraw/zinc/28/60/85/813286085.db2.gz ZWEANAICAMJWDE-GOSISDBHSA-N 2 1 283.419 3.186 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1F ZINC001206324834 813288761 /nfs/dbraw/zinc/28/87/61/813288761.db2.gz DQIQICIROKHCPG-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP CC(C)[N@@H+](CCc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206580559 813361718 /nfs/dbraw/zinc/36/17/18/813361718.db2.gz DZVWWDZCNFZWKZ-KRWDZBQOSA-N 2 1 296.405 3.360 20 0 CGADMP Cc1ccc(F)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206582702 813361819 /nfs/dbraw/zinc/36/18/19/813361819.db2.gz ONHBCAZBIHAZBL-INIZCTEOSA-N 2 1 278.415 3.487 20 0 CGADMP CC(C)[N@@H+](CCc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582066 813362843 /nfs/dbraw/zinc/36/28/43/813362843.db2.gz LQPOQYVXSVTTNT-INIZCTEOSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1cc(F)cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206592233 813367139 /nfs/dbraw/zinc/36/71/39/813367139.db2.gz YZNFPZRXUGOPFB-QGZVFWFLSA-N 2 1 278.415 3.487 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001206607131 813372829 /nfs/dbraw/zinc/37/28/29/813372829.db2.gz WJAPHLLPCOTLID-SFHVURJKSA-N 2 1 274.452 3.460 20 0 CGADMP Cc1csc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206615564 813376413 /nfs/dbraw/zinc/37/64/13/813376413.db2.gz IYQHEVXAVILXQA-LLVKDONJSA-N 2 1 272.845 3.271 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001206624375 813377976 /nfs/dbraw/zinc/37/79/76/813377976.db2.gz VGZCERXFRANVPW-QGZVFWFLSA-N 2 1 295.430 3.309 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001206624916 813378258 /nfs/dbraw/zinc/37/82/58/813378258.db2.gz ZXFDXOTVURQALA-LBPRGKRZSA-N 2 1 291.826 3.382 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641210 813384225 /nfs/dbraw/zinc/38/42/25/813384225.db2.gz ULUUJPFFOWYIGO-OAHLLOKOSA-N 2 1 298.430 3.409 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1CC ZINC001206767387 813430139 /nfs/dbraw/zinc/43/01/39/813430139.db2.gz AEZHTODDBDPZOQ-HOCLYGCPSA-N 2 1 290.451 3.207 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cccc2)cc1 ZINC001206769017 813431763 /nfs/dbraw/zinc/43/17/63/813431763.db2.gz MJFFHPCJANXHFV-WBVHZDCISA-N 2 1 283.419 3.037 20 0 CGADMP CCc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(CC)c1O ZINC001206772145 813433693 /nfs/dbraw/zinc/43/36/93/813433693.db2.gz YPPZJIZRHGHKGJ-UONOGXRCSA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc2sccc21 ZINC001206806086 813441773 /nfs/dbraw/zinc/44/17/73/813441773.db2.gz FIZRPSQBRZWCCE-CHWSQXEVSA-N 2 1 274.433 3.461 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206805176 813442060 /nfs/dbraw/zinc/44/20/60/813442060.db2.gz APXKOZRUSAYGMU-WCQYABFASA-N 2 1 266.816 3.208 20 0 CGADMP CCc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001207282031 813533711 /nfs/dbraw/zinc/53/37/11/813533711.db2.gz CYXJEFJYHQBCGN-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001207282031 813533716 /nfs/dbraw/zinc/53/37/16/813533716.db2.gz CYXJEFJYHQBCGN-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001207282650 813533789 /nfs/dbraw/zinc/53/37/89/813533789.db2.gz MRWCVOABZGIQHG-UHFFFAOYSA-N 2 1 270.436 3.178 20 0 CGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC001207294970 813537444 /nfs/dbraw/zinc/53/74/44/813537444.db2.gz XZHSETQKSSPTMR-MOPGFXCFSA-N 2 1 284.447 3.383 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC1 ZINC001207398220 813557365 /nfs/dbraw/zinc/55/73/65/813557365.db2.gz AIGGXNUQLAVYLW-QGZVFWFLSA-N 2 1 294.389 3.444 20 0 CGADMP Cc1ccc2c(c1)C[N@@H+](CCC1CC[NH+](C)CC1)CC2 ZINC001207479315 813572458 /nfs/dbraw/zinc/57/24/58/813572458.db2.gz FVQOOBCXBCIZPA-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP Cc1cccc(C[N@@H+](C)CCC2CC[NH+](C)CC2)c1 ZINC001207480106 813573244 /nfs/dbraw/zinc/57/32/44/813573244.db2.gz UKQQJKXWPPQMSP-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207487004 813574263 /nfs/dbraw/zinc/57/42/63/813574263.db2.gz QAFJNOOHWSIJBA-OAHLLOKOSA-N 2 1 290.451 3.420 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCCc3ccccc3F)C2)CC1 ZINC001207494351 813576334 /nfs/dbraw/zinc/57/63/34/813576334.db2.gz DIEDXFTVSGFBHU-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP CC[N@@H+](CCCCc1ccccc1)CCn1ccnc1 ZINC001207614720 813614786 /nfs/dbraw/zinc/61/47/86/813614786.db2.gz AAUDPOIQRCOYRV-UHFFFAOYSA-N 2 1 271.408 3.228 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCC(C)(C)C3)C[C@]2(C)C1 ZINC001207691161 813636321 /nfs/dbraw/zinc/63/63/21/813636321.db2.gz AANFLDSXMIHMNG-INMHGKMJSA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCC(C)(C)C3)C[C@]2(C)C1 ZINC001207691161 813636322 /nfs/dbraw/zinc/63/63/22/813636322.db2.gz AANFLDSXMIHMNG-INMHGKMJSA-N 2 1 264.457 3.086 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CC2(C)CC[NH+](C)CC2)cc1 ZINC001208109533 813694018 /nfs/dbraw/zinc/69/40/18/813694018.db2.gz NWRLPFPRBPTLHE-OAHLLOKOSA-N 2 1 290.451 3.420 20 0 CGADMP Cc1cccc2c1C[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208108581 813694904 /nfs/dbraw/zinc/69/49/04/813694904.db2.gz WCSOKMRFWBIAGP-UHFFFAOYSA-N 2 1 258.409 3.043 20 0 CGADMP COCC[N@H+](C[C@@H]1CCC(C)=C[C@H]1C)C1CC[NH+](C)CC1 ZINC001208178001 813728480 /nfs/dbraw/zinc/72/84/80/813728480.db2.gz UYHDOKMPSFHOHE-SJORKVTESA-N 2 1 294.483 3.021 20 0 CGADMP COCC[N@@H+](C[C@@H]1CCC(C)=C[C@H]1C)C1CC[NH+](C)CC1 ZINC001208178001 813728483 /nfs/dbraw/zinc/72/84/83/813728483.db2.gz UYHDOKMPSFHOHE-SJORKVTESA-N 2 1 294.483 3.021 20 0 CGADMP CC[C@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185846 813734954 /nfs/dbraw/zinc/73/49/54/813734954.db2.gz JCLWJLDPDQAWLE-HNNXBMFYSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)[C@H]1C ZINC001208192605 813736896 /nfs/dbraw/zinc/73/68/96/813736896.db2.gz VWWTZNNVIMGOTJ-CABCVRRESA-N 2 1 252.446 3.229 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+](C)CCC[NH+](C)C ZINC001208201317 813742244 /nfs/dbraw/zinc/74/22/44/813742244.db2.gz CKELVNZCUSRFIE-MRXNPFEDSA-N 2 1 286.504 3.491 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208599969 813770869 /nfs/dbraw/zinc/77/08/69/813770869.db2.gz MZTFHXQSUYJUCE-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CC4)CC[C@@H]3C2)cc1 ZINC001208687404 813796041 /nfs/dbraw/zinc/79/60/41/813796041.db2.gz CPVAKLQYIJGFOT-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP CC(C)[N@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208928457 813901002 /nfs/dbraw/zinc/90/10/02/813901002.db2.gz INEUHJDMWPHDDI-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208928457 813901007 /nfs/dbraw/zinc/90/10/07/813901007.db2.gz INEUHJDMWPHDDI-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208928457 813901010 /nfs/dbraw/zinc/90/10/10/813901010.db2.gz INEUHJDMWPHDDI-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208928457 813901015 /nfs/dbraw/zinc/90/10/15/813901015.db2.gz INEUHJDMWPHDDI-QGZVFWFLSA-N 2 1 260.425 3.239 20 0 CGADMP C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927725 813901964 /nfs/dbraw/zinc/90/19/64/813901964.db2.gz DLIDLFQVJWIHTH-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927725 813901968 /nfs/dbraw/zinc/90/19/68/813901968.db2.gz DLIDLFQVJWIHTH-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927725 813901974 /nfs/dbraw/zinc/90/19/74/813901974.db2.gz DLIDLFQVJWIHTH-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927725 813901982 /nfs/dbraw/zinc/90/19/82/813901982.db2.gz DLIDLFQVJWIHTH-WMZOPIPTSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947436 813907113 /nfs/dbraw/zinc/90/71/13/813907113.db2.gz JZBORVBNBRDVPM-SJLPKXTDSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947436 813907120 /nfs/dbraw/zinc/90/71/20/813907120.db2.gz JZBORVBNBRDVPM-SJLPKXTDSA-N 2 1 272.436 3.240 20 0 CGADMP C[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947436 813907125 /nfs/dbraw/zinc/90/71/25/813907125.db2.gz JZBORVBNBRDVPM-SJLPKXTDSA-N 2 1 272.436 3.240 20 0 CGADMP CC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948964 813907274 /nfs/dbraw/zinc/90/72/74/813907274.db2.gz UNQWUEGNQRFLRP-GOSISDBHSA-N 2 1 272.436 3.240 20 0 CGADMP COC(C)(C)CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209407610 814015599 /nfs/dbraw/zinc/01/55/99/814015599.db2.gz MAFHMUUPBLEXKW-MRXNPFEDSA-N 2 1 282.472 3.142 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)CC[NH2+]1 ZINC001210474082 814478181 /nfs/dbraw/zinc/47/81/81/814478181.db2.gz DPNUFAKIZVSTAN-MRXNPFEDSA-N 2 1 260.425 3.083 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)CC[NH2+]1 ZINC001210499672 814491403 /nfs/dbraw/zinc/49/14/03/814491403.db2.gz VHOLIQVYKAEMQW-QGZVFWFLSA-N 2 1 294.442 3.461 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)CC[NH2+]1 ZINC001210499672 814491407 /nfs/dbraw/zinc/49/14/07/814491407.db2.gz VHOLIQVYKAEMQW-QGZVFWFLSA-N 2 1 294.442 3.461 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218484976 816239748 /nfs/dbraw/zinc/23/97/48/816239748.db2.gz RGEQBVMECCZADL-KXBFYZLASA-N 2 1 296.414 3.045 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC001222141403 816357915 /nfs/dbraw/zinc/35/79/15/816357915.db2.gz KLGIIDDLLXFWCA-RHSMWYFYSA-N 2 1 276.424 3.157 20 0 CGADMP C(C1CCSCC1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153897 816361119 /nfs/dbraw/zinc/36/11/19/816361119.db2.gz CGKYQCQYKFOQIM-KRWDZBQOSA-N 2 1 296.524 3.375 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C1CC1 ZINC001222154618 816362636 /nfs/dbraw/zinc/36/26/36/816362636.db2.gz OIKTXCGYJPJVCR-SFHVURJKSA-N 2 1 288.410 3.279 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C1CC1 ZINC001222154618 816362644 /nfs/dbraw/zinc/36/26/44/816362644.db2.gz OIKTXCGYJPJVCR-SFHVURJKSA-N 2 1 288.410 3.279 20 0 CGADMP c1csc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160570 816365833 /nfs/dbraw/zinc/36/58/33/816365833.db2.gz GBMJSOJUBAVUKL-INIZCTEOSA-N 2 1 278.465 3.494 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222254329 816388170 /nfs/dbraw/zinc/38/81/70/816388170.db2.gz XNAJDKQJRLIKCZ-GOSISDBHSA-N 2 1 272.436 3.275 20 0 CGADMP COc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1C ZINC001222292528 816398488 /nfs/dbraw/zinc/39/84/88/816398488.db2.gz DPAANEAUCNKHRP-UHFFFAOYSA-N 2 1 288.435 3.112 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc2c1CCC2 ZINC001222308581 816403926 /nfs/dbraw/zinc/40/39/26/816403926.db2.gz JXFPNYNJRJREIA-LJQANCHMSA-N 2 1 284.447 3.283 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360675 816419184 /nfs/dbraw/zinc/41/91/84/816419184.db2.gz SIPGEZDVELRSSR-MSOLQXFVSA-N 2 1 294.483 3.213 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360675 816419187 /nfs/dbraw/zinc/41/91/87/816419187.db2.gz SIPGEZDVELRSSR-MSOLQXFVSA-N 2 1 294.483 3.213 20 0 CGADMP c1ccc2c(c1)CC(C[N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001222385220 816426493 /nfs/dbraw/zinc/42/64/93/816426493.db2.gz HRGFHKSMWHKDAR-LJQANCHMSA-N 2 1 284.447 3.010 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422673 816441051 /nfs/dbraw/zinc/44/10/51/816441051.db2.gz WWYODFSWCALNOH-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422673 816441055 /nfs/dbraw/zinc/44/10/55/816441055.db2.gz WWYODFSWCALNOH-AEFFLSMTSA-N 2 1 296.499 3.172 20 0 CGADMP Fc1cccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595717 816475006 /nfs/dbraw/zinc/47/50/06/816475006.db2.gz HKAIFDFXWJWJKC-GOSISDBHSA-N 2 1 296.389 3.015 20 0 CGADMP Fc1cccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595717 816475007 /nfs/dbraw/zinc/47/50/07/816475007.db2.gz HKAIFDFXWJWJKC-GOSISDBHSA-N 2 1 296.389 3.015 20 0 CGADMP Fc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222595837 816475388 /nfs/dbraw/zinc/47/53/88/816475388.db2.gz KDKBRARFFCPLLA-GOSISDBHSA-N 2 1 296.389 3.015 20 0 CGADMP Fc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222595837 816475390 /nfs/dbraw/zinc/47/53/90/816475390.db2.gz KDKBRARFFCPLLA-GOSISDBHSA-N 2 1 296.389 3.015 20 0 CGADMP CCc1cc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)ccc1Cl ZINC001222623205 816480453 /nfs/dbraw/zinc/48/04/53/816480453.db2.gz GGYUWPAOTLOUDB-GOEBONIOSA-N 2 1 278.827 3.086 20 0 CGADMP CCc1cc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)ccc1Cl ZINC001222623205 816480458 /nfs/dbraw/zinc/48/04/58/816480458.db2.gz GGYUWPAOTLOUDB-GOEBONIOSA-N 2 1 278.827 3.086 20 0 CGADMP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629949 816483277 /nfs/dbraw/zinc/48/32/77/816483277.db2.gz SWSZHSXJKXDFLK-KDURUIRLSA-N 2 1 284.447 3.386 20 0 CGADMP C[NH2+]Cc1cccc(-c2cccc(C(=[NH2+])OC)c2)c1 ZINC001242998057 823204836 /nfs/dbraw/zinc/20/48/36/823204836.db2.gz AZWFBPAOTKORKW-UHFFFAOYSA-N 2 1 254.333 3.045 20 0 CGADMP Cc1ccc(OC(C)C)c(C[N@H+](C)C2CCN(C)CC2)c1 ZINC001232393749 818335562 /nfs/dbraw/zinc/33/55/62/818335562.db2.gz BWPNWZRGYJKTSJ-UHFFFAOYSA-N 2 1 290.451 3.308 20 0 CGADMP Cc1cccc(F)c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001232484309 818368144 /nfs/dbraw/zinc/36/81/44/818368144.db2.gz AGNRBLCMIWLCGI-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614477 818398260 /nfs/dbraw/zinc/39/82/60/818398260.db2.gz GLOGQLORVPROLU-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614477 818398266 /nfs/dbraw/zinc/39/82/66/818398266.db2.gz GLOGQLORVPROLU-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614477 818398273 /nfs/dbraw/zinc/39/82/73/818398273.db2.gz GLOGQLORVPROLU-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614477 818398279 /nfs/dbraw/zinc/39/82/79/818398279.db2.gz GLOGQLORVPROLU-KRWDZBQOSA-N 2 1 286.444 3.429 20 0 CGADMP COc1cccc([C@H]2CCCN2Cc2[nH]c(C)nc2C)c1 ZINC001234646031 818901215 /nfs/dbraw/zinc/90/12/15/818901215.db2.gz YQRDTFNMFGCNJT-QGZVFWFLSA-N 2 1 285.391 3.372 20 0 CGADMP c1c(C[N@H+]2CCC23CCCC3)c2cccc3c2n1CC[NH2+]C3 ZINC001234974914 818968646 /nfs/dbraw/zinc/96/86/46/818968646.db2.gz MTZCFECOQCWZOB-UHFFFAOYSA-N 2 1 295.430 3.263 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235001901 818973884 /nfs/dbraw/zinc/97/38/84/818973884.db2.gz WIHLRXHHSONOKX-SFHVURJKSA-N 2 1 272.436 3.133 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235002088 818974308 /nfs/dbraw/zinc/97/43/08/818974308.db2.gz XAOZFFYSIMOELN-KRWDZBQOSA-N 2 1 276.399 3.018 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235002088 818974317 /nfs/dbraw/zinc/97/43/17/818974317.db2.gz XAOZFFYSIMOELN-KRWDZBQOSA-N 2 1 276.399 3.018 20 0 CGADMP c1csc(-c2ccccc2C[N@@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235024565 818980102 /nfs/dbraw/zinc/98/01/02/818980102.db2.gz NXGONLJJWLZNLI-UHFFFAOYSA-N 2 1 284.428 3.210 20 0 CGADMP c1csc(-c2ccccc2C[N@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235024565 818980108 /nfs/dbraw/zinc/98/01/08/818980108.db2.gz NXGONLJJWLZNLI-UHFFFAOYSA-N 2 1 284.428 3.210 20 0 CGADMP CCc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235048423 818992005 /nfs/dbraw/zinc/99/20/05/818992005.db2.gz XZQKFVROJINBPD-SFHVURJKSA-N 2 1 272.436 3.357 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235064989 818993614 /nfs/dbraw/zinc/99/36/14/818993614.db2.gz ITQJQVYTBAJJAH-ARUCBAPRSA-N 2 1 274.452 3.031 20 0 CGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235064989 818993622 /nfs/dbraw/zinc/99/36/22/818993622.db2.gz ITQJQVYTBAJJAH-ARUCBAPRSA-N 2 1 274.452 3.031 20 0 CGADMP Cc1cc(Cl)c(Cl)cc1C[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235094398 819001609 /nfs/dbraw/zinc/00/16/09/819001609.db2.gz ZVVSFQVPPWUNNX-UHFFFAOYSA-N 2 1 299.245 3.487 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235147805 819017238 /nfs/dbraw/zinc/01/72/38/819017238.db2.gz UOMNFLQGDLTUTQ-WBAXXEDZSA-N 2 1 272.436 3.022 20 0 CGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235147805 819017246 /nfs/dbraw/zinc/01/72/46/819017246.db2.gz UOMNFLQGDLTUTQ-WBAXXEDZSA-N 2 1 272.436 3.022 20 0 CGADMP Fc1cc(F)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235155652 819017970 /nfs/dbraw/zinc/01/79/70/819017970.db2.gz OZDSTZCIIVVDOA-KRWDZBQOSA-N 2 1 294.389 3.319 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152141 819018554 /nfs/dbraw/zinc/01/85/54/819018554.db2.gz CSGYJXXUBRIZBS-SFHVURJKSA-N 2 1 290.426 3.488 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235154505 819018755 /nfs/dbraw/zinc/01/87/55/819018755.db2.gz MESZOPIZEXATAG-GOSISDBHSA-N 2 1 290.426 3.488 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235193990 819032188 /nfs/dbraw/zinc/03/21/88/819032188.db2.gz UHTLXWBOEKRVDS-HZPDHXFCSA-N 2 1 272.436 3.025 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235239241 819044862 /nfs/dbraw/zinc/04/48/62/819044862.db2.gz GHBDZMNCQPERTL-JFIYKMOQSA-N 2 1 296.499 3.421 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235252889 819049601 /nfs/dbraw/zinc/04/96/01/819049601.db2.gz ADEJWSPFBKRIMP-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235254473 819050731 /nfs/dbraw/zinc/05/07/31/819050731.db2.gz JHMANTQPDFOFOP-BBWFWOEESA-N 2 1 264.457 3.443 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235254150 819050774 /nfs/dbraw/zinc/05/07/74/819050774.db2.gz BCVPZEHRVANVMJ-PMACEKPBSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235254150 819050778 /nfs/dbraw/zinc/05/07/78/819050778.db2.gz BCVPZEHRVANVMJ-PMACEKPBSA-N 2 1 292.426 3.456 20 0 CGADMP c1ccc(C2(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CCCC2)cc1 ZINC001235256287 819051817 /nfs/dbraw/zinc/05/18/17/819051817.db2.gz RJSLHWFGDFOIOR-FUHWJXTLSA-N 2 1 284.447 3.182 20 0 CGADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(Oc2ccccc2)c1 ZINC001235257707 819053928 /nfs/dbraw/zinc/05/39/28/819053928.db2.gz ZYFJSBXMWLKYOE-BXWFABGCSA-N 2 1 294.398 3.400 20 0 CGADMP Cc1c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cccc1-c1ccccc1 ZINC001235264138 819057398 /nfs/dbraw/zinc/05/73/98/819057398.db2.gz WGEWXUFGIDVETH-ICSRJNTNSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cccc1-c1ccccc1 ZINC001235264138 819057409 /nfs/dbraw/zinc/05/74/09/819057409.db2.gz WGEWXUFGIDVETH-ICSRJNTNSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC001235263814 819057679 /nfs/dbraw/zinc/05/76/79/819057679.db2.gz VHUCQNXZYRTASZ-PMACEKPBSA-N 2 1 292.426 3.456 20 0 CGADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC001235263814 819057686 /nfs/dbraw/zinc/05/76/86/819057686.db2.gz VHUCQNXZYRTASZ-PMACEKPBSA-N 2 1 292.426 3.456 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399274 819084195 /nfs/dbraw/zinc/08/41/95/819084195.db2.gz AELFDZKKIBFWDY-ARFHVFGLSA-N 2 1 270.436 3.226 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400627 819084427 /nfs/dbraw/zinc/08/44/27/819084427.db2.gz DPXLEVSKIXVAKI-ROUUACIJSA-N 2 1 290.426 3.334 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235408940 819087941 /nfs/dbraw/zinc/08/79/41/819087941.db2.gz VJKUKSFVURLDQQ-MSOLQXFVSA-N 2 1 290.426 3.334 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)C1(C)C ZINC001235409782 819088229 /nfs/dbraw/zinc/08/82/29/819088229.db2.gz WVWFZRDEKSKDJR-JFIYKMOQSA-N 2 1 294.458 3.392 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422237 819093055 /nfs/dbraw/zinc/09/30/55/819093055.db2.gz AJSGPSISANRZIX-RDJZCZTQSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235423230 819093282 /nfs/dbraw/zinc/09/32/82/819093282.db2.gz FSCUOSRRGJXYRS-CVEARBPZSA-N 2 1 290.426 3.346 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235429359 819094564 /nfs/dbraw/zinc/09/45/64/819094564.db2.gz XHOYMZHXZWQRAJ-RBUKOAKNSA-N 2 1 286.463 3.461 20 0 CGADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC001235429592 819094651 /nfs/dbraw/zinc/09/46/51/819094651.db2.gz ZFYMOJRWNRHCJT-DLBZAZTESA-N 2 1 264.457 3.278 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433335 819096600 /nfs/dbraw/zinc/09/66/00/819096600.db2.gz SZNSTPKESYOWLU-UHFFFAOYSA-N 2 1 298.883 3.493 20 0 CGADMP CC(C)c1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235431674 819096684 /nfs/dbraw/zinc/09/66/84/819096684.db2.gz AEXXRUKXRQHJPR-UHFFFAOYSA-N 2 1 260.425 3.241 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001235435727 819100117 /nfs/dbraw/zinc/10/01/17/819100117.db2.gz WUHOBHZIYFOPNF-UHFFFAOYSA-N 2 1 290.357 3.412 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC001235690460 819141457 /nfs/dbraw/zinc/14/14/57/819141457.db2.gz MERDVQLBMQTELL-UHFFFAOYSA-N 2 1 276.468 3.277 20 0 CGADMP CC(C)[N@H+](Cc1cc2c(s1)C[NH2+]CC2)CC1CC1 ZINC001235694663 819143977 /nfs/dbraw/zinc/14/39/77/819143977.db2.gz HJHBHDSCHQZWMB-UHFFFAOYSA-N 2 1 264.438 3.014 20 0 CGADMP Clc1ccc([C@H]2C[C@H]2C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711725 819148478 /nfs/dbraw/zinc/14/84/78/819148478.db2.gz UGLNMFBBBRMZRZ-GOEBONIOSA-N 2 1 290.838 3.129 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccccc1F ZINC001235719532 819152133 /nfs/dbraw/zinc/15/21/33/819152133.db2.gz VWEYBQSQAJPFIN-INIZCTEOSA-N 2 1 264.388 3.482 20 0 CGADMP CC[N@@H+](C[C@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235762221 819163125 /nfs/dbraw/zinc/16/31/25/819163125.db2.gz XDQVXJMKSMUMJP-OAHLLOKOSA-N 2 1 252.446 3.443 20 0 CGADMP CC[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH2+]CC1 ZINC001235764438 819163177 /nfs/dbraw/zinc/16/31/77/819163177.db2.gz CRWXVZJXQVYNOX-UHFFFAOYSA-N 2 1 276.399 3.277 20 0 CGADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(C)o3)cc2)CC1 ZINC001235789243 819168105 /nfs/dbraw/zinc/16/81/05/819168105.db2.gz NLDPIKVPWQXADD-UHFFFAOYSA-N 2 1 284.403 3.439 20 0 CGADMP FC(F)[C@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235810734 819172935 /nfs/dbraw/zinc/17/29/35/819172935.db2.gz NEPWVJXKJCYBQA-ZDUSSCGKSA-N 2 1 274.399 3.276 20 0 CGADMP FC(F)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235810734 819172940 /nfs/dbraw/zinc/17/29/40/819172940.db2.gz NEPWVJXKJCYBQA-ZDUSSCGKSA-N 2 1 274.399 3.276 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1 ZINC001235808299 819173062 /nfs/dbraw/zinc/17/30/62/819173062.db2.gz AHZDMBAJSGJLFE-BCDXTJNWSA-N 2 1 272.436 3.339 20 0 CGADMP c1ccc2c(c1)CCC[N@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001235833998 819179378 /nfs/dbraw/zinc/17/93/78/819179378.db2.gz HAHZXEACRGLHGX-UHFFFAOYSA-N 2 1 292.426 3.281 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccccc2)s1)C[C@H]1CC[NH2+]C1 ZINC001235841707 819183778 /nfs/dbraw/zinc/18/37/78/819183778.db2.gz HTLPFQRGOTUGSW-AWEZNQCLSA-N 2 1 286.444 3.456 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c2ccccc12 ZINC001235842811 819184860 /nfs/dbraw/zinc/18/48/60/819184860.db2.gz RRWGUXNKKURVBY-HNNXBMFYSA-N 2 1 268.404 3.190 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+](CCC3C[NH2+]C3)C2)cc1Cl ZINC001235883060 819194969 /nfs/dbraw/zinc/19/49/69/819194969.db2.gz XECOSAOVPJNEQH-CYBMUJFWSA-N 2 1 299.245 3.392 20 0 CGADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCCCCc1ccccc1 ZINC001235892196 819201416 /nfs/dbraw/zinc/20/14/16/819201416.db2.gz MFIVYSTYZFRELB-DOTOQJQBSA-N 2 1 260.425 3.211 20 0 CGADMP COC(=O)CCCCCCCCC[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235892445 819202471 /nfs/dbraw/zinc/20/24/71/819202471.db2.gz QVNAOCJRCRNHMM-CVEARBPZSA-N 2 1 298.471 3.092 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCc1ccc(C(F)(F)F)cc1 ZINC001235925064 819223612 /nfs/dbraw/zinc/22/36/12/819223612.db2.gz HXKKTWCKPJKWEF-AWEZNQCLSA-N 2 1 286.341 3.061 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H]2CC[NH3+])c1OC(C)C ZINC001235925304 819225196 /nfs/dbraw/zinc/22/51/96/819225196.db2.gz GRSCXHLKJGJANC-INIZCTEOSA-N 2 1 276.424 3.095 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235934609 819230368 /nfs/dbraw/zinc/23/03/68/819230368.db2.gz BWJUYHKXMUXKNB-KGLIPLIRSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235934609 819230372 /nfs/dbraw/zinc/23/03/72/819230372.db2.gz BWJUYHKXMUXKNB-KGLIPLIRSA-N 2 1 298.352 3.055 20 0 CGADMP Fc1cccc2c(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cccc12 ZINC001235938613 819232023 /nfs/dbraw/zinc/23/20/23/819232023.db2.gz LOHLDMRDCINLPD-DZGCQCFKSA-N 2 1 284.378 3.020 20 0 CGADMP COCCC[N@@H+](CCCC1CCCC1)C1CC[NH2+]CC1 ZINC001235936032 819232311 /nfs/dbraw/zinc/23/23/11/819232311.db2.gz OGLSDFWTCOTZKY-UHFFFAOYSA-N 2 1 282.472 3.047 20 0 CGADMP c1csc(-c2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)c1 ZINC001235935451 819232597 /nfs/dbraw/zinc/23/25/97/819232597.db2.gz DQDSDGWRJWOCSO-SJORKVTESA-N 2 1 298.455 3.456 20 0 CGADMP [NH3+]Cc1cccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001235939795 819234376 /nfs/dbraw/zinc/23/43/76/819234376.db2.gz KANAPXVAYUPABM-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP [NH3+]Cc1cccc(C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001235939795 819234379 /nfs/dbraw/zinc/23/43/79/819234379.db2.gz KANAPXVAYUPABM-UHFFFAOYSA-N 2 1 286.806 3.357 20 0 CGADMP [NH3+]CCCCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001235947797 819237274 /nfs/dbraw/zinc/23/72/74/819237274.db2.gz LAWIFECFEZEOIJ-AWEZNQCLSA-N 2 1 266.816 3.258 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC1(c2ccccc2)CCCC1 ZINC001235952059 819242175 /nfs/dbraw/zinc/24/21/75/819242175.db2.gz XMRNDSRAEASTSN-QGZVFWFLSA-N 2 1 286.463 3.430 20 0 CGADMP C[N@@H+](Cc1ccccc1OC(C)(C)C)C[C@@H]1CCC[NH2+]C1 ZINC001235957475 819245014 /nfs/dbraw/zinc/24/50/14/819245014.db2.gz PMWDSYGGZTWDCP-OAHLLOKOSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@H+](Cc1ccccc1OC(C)(C)C)C[C@@H]1CCC[NH2+]C1 ZINC001235957475 819245019 /nfs/dbraw/zinc/24/50/19/819245019.db2.gz PMWDSYGGZTWDCP-OAHLLOKOSA-N 2 1 290.451 3.295 20 0 CGADMP C[C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+])CC(C)(C)C ZINC001235959419 819248205 /nfs/dbraw/zinc/24/82/05/819248205.db2.gz PQTRJOXLLMKQNT-XQLPTFJDSA-N 2 1 252.446 3.118 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC001235960805 819248875 /nfs/dbraw/zinc/24/88/75/819248875.db2.gz ORBXTEYEMOHRFM-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001236059404 819292946 /nfs/dbraw/zinc/29/29/46/819292946.db2.gz HJDPGGHMZDSBAE-IBGZPJMESA-N 2 1 295.430 3.101 20 0 CGADMP c1cn(C2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c2ccccc12 ZINC001236072940 819301746 /nfs/dbraw/zinc/30/17/46/819301746.db2.gz MHLHCPGWOOJOHX-KRWDZBQOSA-N 2 1 297.446 3.420 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+][C@@H](C)C3)cc2)o1 ZINC001236095178 819313604 /nfs/dbraw/zinc/31/36/04/819313604.db2.gz OFOVVCDBLKGZAD-AWEZNQCLSA-N 2 1 284.403 3.439 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[NH2+][C@@H](C)C3)cc2)o1 ZINC001236095178 819313608 /nfs/dbraw/zinc/31/36/08/819313608.db2.gz OFOVVCDBLKGZAD-AWEZNQCLSA-N 2 1 284.403 3.439 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c2ccccc12 ZINC001236095353 819314580 /nfs/dbraw/zinc/31/45/80/819314580.db2.gz RFCMWTLXLDCCOR-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c2ccccc12 ZINC001236095353 819314584 /nfs/dbraw/zinc/31/45/84/819314584.db2.gz RFCMWTLXLDCCOR-AWEZNQCLSA-N 2 1 284.403 3.032 20 0 CGADMP C[C@H]1C[N@H+](Cc2cccc3sccc32)CCC[NH2+]1 ZINC001236100106 819318107 /nfs/dbraw/zinc/31/81/07/819318107.db2.gz DUPNOAKLZWHETL-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3sccc32)CCC[NH2+]1 ZINC001236100106 819318111 /nfs/dbraw/zinc/31/81/11/819318111.db2.gz DUPNOAKLZWHETL-LBPRGKRZSA-N 2 1 260.406 3.085 20 0 CGADMP CCC[N@@H+](CCCc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001236180284 819357997 /nfs/dbraw/zinc/35/79/97/819357997.db2.gz FYXJLEZUDIGZOO-UHFFFAOYSA-N 2 1 278.415 3.222 20 0 CGADMP CCC[N@H+](Cc1cc(C)c(F)cc1F)C1CC[NH2+]CC1 ZINC001236184687 819359539 /nfs/dbraw/zinc/35/95/39/819359539.db2.gz LICRQBHUPNZYEX-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP CCC[N@@H+](Cc1cc(C)c(F)cc1F)C1CC[NH2+]CC1 ZINC001236184687 819359547 /nfs/dbraw/zinc/35/95/47/819359547.db2.gz LICRQBHUPNZYEX-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP CCC[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236183225 819360586 /nfs/dbraw/zinc/36/05/86/819360586.db2.gz ZXAVOFXLKFTZBH-UHFFFAOYSA-N 2 1 264.388 3.098 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236188987 819361214 /nfs/dbraw/zinc/36/12/14/819361214.db2.gz HFZVSBVOQQJPEX-KDOFPFPSSA-N 2 1 283.419 3.447 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236188987 819361221 /nfs/dbraw/zinc/36/12/21/819361221.db2.gz HFZVSBVOQQJPEX-KDOFPFPSSA-N 2 1 283.419 3.447 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210274 819371507 /nfs/dbraw/zinc/37/15/07/819371507.db2.gz AKRRRXHJEWYQIQ-IAGOWNOFSA-N 2 1 276.424 3.177 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210274 819371510 /nfs/dbraw/zinc/37/15/10/819371510.db2.gz AKRRRXHJEWYQIQ-IAGOWNOFSA-N 2 1 276.424 3.177 20 0 CGADMP CCc1cccc(C)c1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215366 819377809 /nfs/dbraw/zinc/37/78/09/819377809.db2.gz HMWGCCMTJSJEEN-SJORKVTESA-N 2 1 260.425 3.259 20 0 CGADMP CCc1cccc(C)c1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215366 819377815 /nfs/dbraw/zinc/37/78/15/819377815.db2.gz HMWGCCMTJSJEEN-SJORKVTESA-N 2 1 260.425 3.259 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c21 ZINC001236216561 819381355 /nfs/dbraw/zinc/38/13/55/819381355.db2.gz KBVITECBZAVCBM-HOCLYGCPSA-N 2 1 271.408 3.178 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c21 ZINC001236216561 819381359 /nfs/dbraw/zinc/38/13/59/819381359.db2.gz KBVITECBZAVCBM-HOCLYGCPSA-N 2 1 271.408 3.178 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236217593 819383020 /nfs/dbraw/zinc/38/30/20/819383020.db2.gz PJHCJEQKLLANHC-UONOGXRCSA-N 2 1 252.427 3.012 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236217593 819383026 /nfs/dbraw/zinc/38/30/26/819383026.db2.gz PJHCJEQKLLANHC-UONOGXRCSA-N 2 1 252.427 3.012 20 0 CGADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1OC(C)C ZINC001236219768 819386033 /nfs/dbraw/zinc/38/60/33/819386033.db2.gz XIVJCHKAIRGXKT-SJORKVTESA-N 2 1 290.451 3.484 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1OC(C)C ZINC001236219768 819386035 /nfs/dbraw/zinc/38/60/35/819386035.db2.gz XIVJCHKAIRGXKT-SJORKVTESA-N 2 1 290.451 3.484 20 0 CGADMP Cc1ccc2c(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])cccc2n1 ZINC001236220305 819386215 /nfs/dbraw/zinc/38/62/15/819386215.db2.gz YXXBETMCWOGBHY-AEFFLSMTSA-N 2 1 283.419 3.245 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC001236219696 819386567 /nfs/dbraw/zinc/38/65/67/819386567.db2.gz XMUVKZRLCCIDSD-IRXDYDNUSA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC001236219696 819386572 /nfs/dbraw/zinc/38/65/72/819386572.db2.gz XMUVKZRLCCIDSD-IRXDYDNUSA-N 2 1 276.424 3.095 20 0 CGADMP CCCCOc1cccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236225718 819391713 /nfs/dbraw/zinc/39/17/13/819391713.db2.gz DGGBRMIGLDTYCW-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227282 819392210 /nfs/dbraw/zinc/39/22/10/819392210.db2.gz BHMOPIGOEQXZLB-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227282 819392216 /nfs/dbraw/zinc/39/22/16/819392216.db2.gz BHMOPIGOEQXZLB-UHFFFAOYSA-N 2 1 294.414 3.187 20 0 CGADMP CCCCC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236268779 819411731 /nfs/dbraw/zinc/41/17/31/819411731.db2.gz GNYQJXCVRRKHSI-KRWDZBQOSA-N 2 1 260.425 3.431 20 0 CGADMP CCCCC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236268779 819411733 /nfs/dbraw/zinc/41/17/33/819411733.db2.gz GNYQJXCVRRKHSI-KRWDZBQOSA-N 2 1 260.425 3.431 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236407116 819454260 /nfs/dbraw/zinc/45/42/60/819454260.db2.gz CBYJDJDDKXJMCS-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1ccccc1C(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236409489 819456417 /nfs/dbraw/zinc/45/64/17/819456417.db2.gz VGKCKJOQRDZELY-OAHLLOKOSA-N 2 1 260.425 3.241 20 0 CGADMP CC[N@@H+](Cc1cc(C)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236410635 819457255 /nfs/dbraw/zinc/45/72/55/819457255.db2.gz ILKWNUPYKNAKDF-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1cc(C)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236410635 819457259 /nfs/dbraw/zinc/45/72/59/819457259.db2.gz ILKWNUPYKNAKDF-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1ccc(OC(C)C)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236411695 819457528 /nfs/dbraw/zinc/45/75/28/819457528.db2.gz OJYIKSAJIVTUFO-QGZVFWFLSA-N 2 1 290.451 3.214 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)c1 ZINC001236429432 819474503 /nfs/dbraw/zinc/47/45/03/819474503.db2.gz WNHSUXUVCDXCCA-IRXDYDNUSA-N 2 1 288.435 3.165 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)c1 ZINC001236429432 819474507 /nfs/dbraw/zinc/47/45/07/819474507.db2.gz WNHSUXUVCDXCCA-IRXDYDNUSA-N 2 1 288.435 3.165 20 0 CGADMP CC(C)(C)C[N@@H+](Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001236458666 819485677 /nfs/dbraw/zinc/48/56/77/819485677.db2.gz VJGZMSIFHGQOKY-UHFFFAOYSA-N 2 1 278.415 3.426 20 0 CGADMP Cc1cc(F)ccc1C[N@H+](C[C@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236518105 819511481 /nfs/dbraw/zinc/51/14/81/819511481.db2.gz PMRQVKUUMSYJPS-XJKSGUPXSA-N 2 1 290.426 3.344 20 0 CGADMP [NH3+]CC[N@@H+](Cc1ccccc1)CC1CCC(F)(F)CC1 ZINC001236521574 819515224 /nfs/dbraw/zinc/51/52/24/819515224.db2.gz FGCBBPMWWPBARH-UHFFFAOYSA-N 2 1 282.378 3.273 20 0 CGADMP [NH3+]CC[N@H+](Cc1ccccc1)CC1CCC(F)(F)CC1 ZINC001236521574 819515228 /nfs/dbraw/zinc/51/52/28/819515228.db2.gz FGCBBPMWWPBARH-UHFFFAOYSA-N 2 1 282.378 3.273 20 0 CGADMP CC(C)(C)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542450 819529715 /nfs/dbraw/zinc/52/97/15/819529715.db2.gz WSCREKHZCFIZMB-SHTZXODSSA-N 2 1 252.446 3.405 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001236552534 819534936 /nfs/dbraw/zinc/53/49/36/819534936.db2.gz RVMRBQPCIKPMKU-ADHGMGHFSA-N 2 1 274.452 3.181 20 0 CGADMP CSc1ccccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236600340 819548611 /nfs/dbraw/zinc/54/86/11/819548611.db2.gz GPDGLIXAGSODFJ-AWEZNQCLSA-N 2 1 290.476 3.373 20 0 CGADMP CSc1ccccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236600340 819548613 /nfs/dbraw/zinc/54/86/13/819548613.db2.gz GPDGLIXAGSODFJ-AWEZNQCLSA-N 2 1 290.476 3.373 20 0 CGADMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc(C)c1F ZINC001236597876 819549371 /nfs/dbraw/zinc/54/93/71/819549371.db2.gz GPTFUFZNNSSUCJ-HNNXBMFYSA-N 2 1 290.426 3.407 20 0 CGADMP CCc1cccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236636637 819556463 /nfs/dbraw/zinc/55/64/63/819556463.db2.gz GRPNTDVHFCHUIX-UHFFFAOYSA-N 2 1 272.436 3.356 20 0 CGADMP CC(C)(C)C[N@@H+](CC[C@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766638 819592284 /nfs/dbraw/zinc/59/22/84/819592284.db2.gz BCIUTIGUAYSHBJ-BRWVUGGUSA-N 3 1 295.515 3.137 20 0 CGADMP CC(C)(CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC001236819376 819606906 /nfs/dbraw/zinc/60/69/06/819606906.db2.gz NDUQSINMHDVMJR-USXIJHARSA-N 2 1 272.436 3.023 20 0 CGADMP CCCCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC001236820300 819608361 /nfs/dbraw/zinc/60/83/61/819608361.db2.gz PVVAVMPBAQZIFV-JQHSSLGASA-N 2 1 288.435 3.035 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@H]12 ZINC001236822135 819608582 /nfs/dbraw/zinc/60/85/82/819608582.db2.gz YHRGHCYZAPANLA-FGTMMUONSA-N 2 1 272.436 3.069 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)cc1Cl ZINC001236829538 819610120 /nfs/dbraw/zinc/61/01/20/819610120.db2.gz LDDATUXNHRGKRQ-WBIUFABUSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)cc1Cl ZINC001236829538 819610123 /nfs/dbraw/zinc/61/01/23/819610123.db2.gz LDDATUXNHRGKRQ-WBIUFABUSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C)c1Cl ZINC001236833119 819611253 /nfs/dbraw/zinc/61/12/53/819611253.db2.gz YRVFXNHVNRPJRL-KKUMJFAQSA-N 2 1 278.827 3.126 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236834869 819615660 /nfs/dbraw/zinc/61/56/60/819615660.db2.gz JHWVHEGXVHDXNY-KRWDZBQOSA-N 2 1 260.425 3.125 20 0 CGADMP CCC[N@H+](Cc1cc(O)cc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236843201 819619279 /nfs/dbraw/zinc/61/92/79/819619279.db2.gz LPFMPBQTSFMIIE-OAHLLOKOSA-N 2 1 298.430 3.367 20 0 CGADMP CCCOc1ccccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055188 819654622 /nfs/dbraw/zinc/65/46/22/819654622.db2.gz ASKHMNSOYKDLCO-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055188 819654628 /nfs/dbraw/zinc/65/46/28/819654628.db2.gz ASKHMNSOYKDLCO-QGZVFWFLSA-N 2 1 276.424 3.036 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055164 819655044 /nfs/dbraw/zinc/65/50/44/819655044.db2.gz ANIFCSFNSHRYJQ-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055164 819655047 /nfs/dbraw/zinc/65/50/47/819655047.db2.gz ANIFCSFNSHRYJQ-HNNXBMFYSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237146083 819678626 /nfs/dbraw/zinc/67/86/26/819678626.db2.gz QYEOJEMDGLDQSJ-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237146083 819678627 /nfs/dbraw/zinc/67/86/27/819678627.db2.gz QYEOJEMDGLDQSJ-GOSISDBHSA-N 2 1 272.436 3.410 20 0 CGADMP [NH3+]CCCCC[N@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001237187054 819692926 /nfs/dbraw/zinc/69/29/26/819692926.db2.gz BUUODNORTJTPKO-SFHVURJKSA-N 2 1 290.426 3.235 20 0 CGADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC2(C1)CCCCC2 ZINC001237203081 819697916 /nfs/dbraw/zinc/69/79/16/819697916.db2.gz ACJWMLODWQPHBI-UHFFFAOYSA-N 2 1 276.468 3.422 20 0 CGADMP CC[C@H]([NH3+])C[NH+]1CCC(Cc2cnc3ccccc3c2)CC1 ZINC001237258409 819710004 /nfs/dbraw/zinc/71/00/04/819710004.db2.gz MGQJCWOZPFFHDN-SFHVURJKSA-N 2 1 297.446 3.227 20 0 CGADMP C[N@H+](C[C@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001237259396 819710631 /nfs/dbraw/zinc/71/06/31/819710631.db2.gz WAKWLKRNRTWBNX-MJGOQNOKSA-N 2 1 280.415 3.176 20 0 CGADMP C[N@@H+](C[C@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001237259396 819710636 /nfs/dbraw/zinc/71/06/36/819710636.db2.gz WAKWLKRNRTWBNX-MJGOQNOKSA-N 2 1 280.415 3.176 20 0 CGADMP CC[C@H](C)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275518 819714022 /nfs/dbraw/zinc/71/40/22/819714022.db2.gz PBKKEFYNUPPNFN-HNNXBMFYSA-N 2 1 272.436 3.170 20 0 CGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237380109 819738679 /nfs/dbraw/zinc/73/86/79/819738679.db2.gz FJCZSTDLYBTQKI-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237380109 819738683 /nfs/dbraw/zinc/73/86/83/819738683.db2.gz FJCZSTDLYBTQKI-AEFFLSMTSA-N 2 1 288.435 3.049 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c12 ZINC001237411594 819746306 /nfs/dbraw/zinc/74/63/06/819746306.db2.gz GXTMWPCWTXDQKW-WBVHZDCISA-N 2 1 295.430 3.117 20 0 CGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414084 819746797 /nfs/dbraw/zinc/74/67/97/819746797.db2.gz LQJCXGPKOGXUFD-MSOLQXFVSA-N 2 1 272.436 3.384 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2nccc(C)c12 ZINC001237635012 819793908 /nfs/dbraw/zinc/79/39/08/819793908.db2.gz FUNKOTUTLUGVOU-UHFFFAOYSA-N 2 1 285.435 3.317 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCCC2(CCC2)C1 ZINC001238116236 819937547 /nfs/dbraw/zinc/93/75/47/819937547.db2.gz QFMSDITYIXRKKY-UHFFFAOYSA-N 2 1 255.365 3.100 20 0 CGADMP c1[nH+]cn2c1cccc2C[N@H+]1CCCC2(CCC2)C1 ZINC001238116236 819937550 /nfs/dbraw/zinc/93/75/50/819937550.db2.gz QFMSDITYIXRKKY-UHFFFAOYSA-N 2 1 255.365 3.100 20 0 CGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cc(SC)c3)C[C@@H]2C1 ZINC001238687154 820082469 /nfs/dbraw/zinc/08/24/69/820082469.db2.gz BNGSTZJYDGDPGX-HOTGVXAUSA-N 2 1 290.476 3.100 20 0 CGADMP CCOc1ccc(C)c(C[N@H+](CC)CCC[NH+](C)C)c1 ZINC001238710417 820095238 /nfs/dbraw/zinc/09/52/38/820095238.db2.gz CSHTXCOCVLPVHC-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](CC)CCC[NH+](C)C)c1 ZINC001238710417 820095250 /nfs/dbraw/zinc/09/52/50/820095250.db2.gz CSHTXCOCVLPVHC-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP c1cc2[nH]c3cc(C4=CCC[NH2+]CC4)ccc3c2c[nH+]1 ZINC001238945950 820163763 /nfs/dbraw/zinc/16/37/63/820163763.db2.gz NVSUEZMCNMVTEX-UHFFFAOYSA-N 2 1 263.344 3.483 20 0 CGADMP CCOC(=[NH2+])c1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001240457341 821070444 /nfs/dbraw/zinc/07/04/44/821070444.db2.gz QUFQUBQQZZBLHG-UHFFFAOYSA-N 2 1 280.371 3.361 20 0 CGADMP COc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1C ZINC001240864489 821379080 /nfs/dbraw/zinc/37/90/80/821379080.db2.gz XBSUYURZFWZRRL-UHFFFAOYSA-N 2 1 293.370 3.005 20 0 CGADMP C[N@H+]1CC=C(c2cc(F)c(C[NH+]3CCCC3)c(F)c2)CC1 ZINC001241331491 821738479 /nfs/dbraw/zinc/73/84/79/821738479.db2.gz AYWJKLWOSHYPQM-UHFFFAOYSA-N 2 1 292.373 3.280 20 0 CGADMP C[N@@H+]1CC=C(c2cc(F)c(C[NH+]3CCCC3)c(F)c2)CC1 ZINC001241331491 821738484 /nfs/dbraw/zinc/73/84/84/821738484.db2.gz AYWJKLWOSHYPQM-UHFFFAOYSA-N 2 1 292.373 3.280 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001242090731 822344699 /nfs/dbraw/zinc/34/46/99/822344699.db2.gz ZZYYUFVXYWTPGZ-OAHLLOKOSA-N 2 1 253.349 3.064 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1cncc(C[NH+]2CCCCC2)c1 ZINC001242090913 822345635 /nfs/dbraw/zinc/34/56/35/822345635.db2.gz WCAFVDVNNXQUHW-UHFFFAOYSA-N 2 1 282.391 3.020 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001242097924 822351638 /nfs/dbraw/zinc/35/16/38/822351638.db2.gz BPJYUUWOQNEAGK-UHFFFAOYSA-N 2 1 281.403 3.448 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC001345075947 936800543 /nfs/dbraw/zinc/80/05/43/936800543.db2.gz AXYKEWDVXCYBLR-HOTGVXAUSA-N 2 1 290.451 3.386 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001345956170 936831148 /nfs/dbraw/zinc/83/11/48/936831148.db2.gz MKBMFVOKOAVNOX-IWQZZHSRSA-N 2 1 288.410 3.305 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@H]2C1 ZINC001352111917 937036846 /nfs/dbraw/zinc/03/68/46/937036846.db2.gz JLYVVZMMMIVCNE-XNRPHZJLSA-N 2 1 294.389 3.127 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]2C1 ZINC001355374557 937138456 /nfs/dbraw/zinc/13/84/56/937138456.db2.gz VAACOBMJQRREHD-UZRSSAJHSA-N 2 1 284.447 3.362 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC001474437304 937205505 /nfs/dbraw/zinc/20/55/05/937205505.db2.gz WQZDMLGUQUYFTC-TZMCWYRMSA-N 2 1 292.389 3.381 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC001324542481 928094080 /nfs/dbraw/zinc/09/40/80/928094080.db2.gz MRNLBUJTPPFRMM-KGLIPLIRSA-N 2 1 266.454 3.439 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172831344 928225355 /nfs/dbraw/zinc/22/53/55/928225355.db2.gz NSBVCMUASIUVAR-IBGZPJMESA-N 2 1 286.463 3.268 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172831344 928225368 /nfs/dbraw/zinc/22/53/68/928225368.db2.gz NSBVCMUASIUVAR-IBGZPJMESA-N 2 1 286.463 3.268 20 0 CGADMP CCc1ccccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275439315 928523045 /nfs/dbraw/zinc/52/30/45/928523045.db2.gz UZVOIOVGNNWSDZ-UHFFFAOYSA-N 2 1 272.436 3.167 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2scnc2C)C[C@@H]1C ZINC001459613688 937493367 /nfs/dbraw/zinc/49/33/67/937493367.db2.gz OJOAZWFBYWTWSF-DZGCQCFKSA-N 2 1 295.496 3.189 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2scnc2C)C[C@@H]1C ZINC001459613688 937493368 /nfs/dbraw/zinc/49/33/68/937493368.db2.gz OJOAZWFBYWTWSF-DZGCQCFKSA-N 2 1 295.496 3.189 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2scnc2C)C[C@@H]1C ZINC001459613688 937493372 /nfs/dbraw/zinc/49/33/72/937493372.db2.gz OJOAZWFBYWTWSF-DZGCQCFKSA-N 2 1 295.496 3.189 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC001461000610 937558397 /nfs/dbraw/zinc/55/83/97/937558397.db2.gz WZYWAOKDHYEIOU-UHFFFAOYSA-N 2 1 289.810 3.133 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC001461123685 937565178 /nfs/dbraw/zinc/56/51/78/937565178.db2.gz YVRBRHXYOPKLDI-XHSDSOJGSA-N 2 1 252.446 3.134 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(C)(C)CC1 ZINC001461248287 937572141 /nfs/dbraw/zinc/57/21/41/937572141.db2.gz MQOQOFXZKZOBCY-UHFFFAOYSA-N 2 1 261.413 3.206 20 0 CGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC(C)(C)CC2)CCCO1 ZINC001461429126 937580733 /nfs/dbraw/zinc/58/07/33/937580733.db2.gz XIBSYMBWQIJKOS-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC(C)(C)CC2)CCCO1 ZINC001461429126 937580734 /nfs/dbraw/zinc/58/07/34/937580734.db2.gz XIBSYMBWQIJKOS-DLBZAZTESA-N 2 1 296.499 3.436 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C4CCC4)CC3)[C@@H]2C1 ZINC001461829501 937600607 /nfs/dbraw/zinc/60/06/07/937600607.db2.gz LBHNUQLUJCGKEJ-PCNFGOCFSA-N 2 1 276.468 3.275 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](CCC(C)C)CC1 ZINC001462299130 937630662 /nfs/dbraw/zinc/63/06/62/937630662.db2.gz LIKHSHSKYRVTDW-QGZVFWFLSA-N 2 1 297.531 3.207 20 0 CGADMP CCO[C@H](C[NH2+][C@@H](C)CCC1CCCCC1)C[NH+](C)C ZINC001462575228 937651625 /nfs/dbraw/zinc/65/16/25/937651625.db2.gz YWZIZFSJRKDKQD-DOTOQJQBSA-N 2 1 284.488 3.292 20 0 CGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001308039559 933038363 /nfs/dbraw/zinc/03/83/63/933038363.db2.gz GBGCNERMGFXYON-AWEZNQCLSA-N 2 1 261.413 3.028 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC001462639909 937656032 /nfs/dbraw/zinc/65/60/32/937656032.db2.gz YBRWNTQUWZPIGM-VOTSOKGWSA-N 2 1 296.405 3.498 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC001462639909 937656034 /nfs/dbraw/zinc/65/60/34/937656034.db2.gz YBRWNTQUWZPIGM-VOTSOKGWSA-N 2 1 296.405 3.498 20 0 CGADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001462670034 937658355 /nfs/dbraw/zinc/65/83/55/937658355.db2.gz PGORSIXYBOFRGR-YVECIDJPSA-N 2 1 278.362 3.037 20 0 CGADMP CNc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001308564227 933133152 /nfs/dbraw/zinc/13/31/52/933133152.db2.gz ITDMQTFFULGXPA-INIZCTEOSA-N 2 1 287.451 3.036 20 0 CGADMP CNc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001308564227 933133154 /nfs/dbraw/zinc/13/31/54/933133154.db2.gz ITDMQTFFULGXPA-INIZCTEOSA-N 2 1 287.451 3.036 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)C(C)(C)C2)CC1 ZINC001308673165 933154612 /nfs/dbraw/zinc/15/46/12/933154612.db2.gz VJRULAQFJSINOW-AWEZNQCLSA-N 2 1 252.446 3.086 20 0 CGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H](C)C(C)(C)C ZINC001308741719 933168668 /nfs/dbraw/zinc/16/86/68/933168668.db2.gz XBDHAQAGWKFNCU-DLBZAZTESA-N 2 1 297.531 3.017 20 0 CGADMP C([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001308870119 933194156 /nfs/dbraw/zinc/19/41/56/933194156.db2.gz WCZOILNJSMMOSX-TWMKSMIVSA-N 2 1 276.468 3.419 20 0 CGADMP C([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001308870119 933194158 /nfs/dbraw/zinc/19/41/58/933194158.db2.gz WCZOILNJSMMOSX-TWMKSMIVSA-N 2 1 276.468 3.419 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001308983459 933221665 /nfs/dbraw/zinc/22/16/65/933221665.db2.gz DSHRVTSUNMJJTN-ARKGTOAJSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1ccc2c(C)cc(NCCC[NH+](C)C)[nH+]c2c1 ZINC001317702543 933634833 /nfs/dbraw/zinc/63/48/33/933634833.db2.gz LYBYYRHMPLZGRE-UHFFFAOYSA-N 2 1 257.381 3.215 20 0 CGADMP CCOc1ccccc1[C@H](C)NC[C@H]1CCC[N@@H+](CC)C1 ZINC001319190901 933839504 /nfs/dbraw/zinc/83/95/04/933839504.db2.gz UFVUUXNKUGIVAH-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC001319190901 933839509 /nfs/dbraw/zinc/83/95/09/933839509.db2.gz UFVUUXNKUGIVAH-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001319660921 933911854 /nfs/dbraw/zinc/91/18/54/933911854.db2.gz ZTTDNCRIYOJHQQ-IRXDYDNUSA-N 2 1 275.440 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001319660921 933911863 /nfs/dbraw/zinc/91/18/63/933911863.db2.gz ZTTDNCRIYOJHQQ-IRXDYDNUSA-N 2 1 275.440 3.484 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3C)C1 ZINC001319753575 933927732 /nfs/dbraw/zinc/92/77/32/933927732.db2.gz DYTUSORCFPNMPE-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C12CCCC2 ZINC001319830913 933941265 /nfs/dbraw/zinc/94/12/65/933941265.db2.gz DQGOCSFDYGNRHV-LTIDMASMSA-N 2 1 294.483 3.187 20 0 CGADMP C(C1CC2(CCC2)C1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001473173646 937796132 /nfs/dbraw/zinc/79/61/32/937796132.db2.gz MEUKRRIENQYQBJ-INIZCTEOSA-N 2 1 276.468 3.375 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC12CCC(CC1)C2 ZINC001473192842 937796693 /nfs/dbraw/zinc/79/66/93/937796693.db2.gz PJDSCJJDFOFCOZ-CGZBRXJRSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC12CCC(CC1)C2 ZINC001473192842 937796695 /nfs/dbraw/zinc/79/66/95/937796695.db2.gz PJDSCJJDFOFCOZ-CGZBRXJRSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC12CCC(CC1)C2 ZINC001473192842 937796697 /nfs/dbraw/zinc/79/66/97/937796697.db2.gz PJDSCJJDFOFCOZ-CGZBRXJRSA-N 2 1 264.457 3.373 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n(C2CC2)c1 ZINC001325118001 934887565 /nfs/dbraw/zinc/88/75/65/934887565.db2.gz REUOUOIONXVBTR-INIZCTEOSA-N 2 1 287.451 3.273 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n(C2CC2)c1 ZINC001325118001 934887570 /nfs/dbraw/zinc/88/75/70/934887570.db2.gz REUOUOIONXVBTR-INIZCTEOSA-N 2 1 287.451 3.273 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCc3c1cccc3F)CC2 ZINC001325223849 934896230 /nfs/dbraw/zinc/89/62/30/934896230.db2.gz UKUCQPGQEAMLNR-KRWDZBQOSA-N 2 1 288.410 3.373 20 0 CGADMP C[N@H+]1CCCC12CC[NH+]([C@H]1CCc3c1cccc3F)CC2 ZINC001325223849 934896237 /nfs/dbraw/zinc/89/62/37/934896237.db2.gz UKUCQPGQEAMLNR-KRWDZBQOSA-N 2 1 288.410 3.373 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001325624501 934921574 /nfs/dbraw/zinc/92/15/74/934921574.db2.gz DUXBWPFIURKSSJ-SECBINFHSA-N 2 1 261.196 3.081 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC001325742394 934926362 /nfs/dbraw/zinc/92/63/62/934926362.db2.gz DSHCYEFYEJKMSW-UKRRQHHQSA-N 2 1 252.402 3.345 20 0 CGADMP Fc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001325743431 934926619 /nfs/dbraw/zinc/92/66/19/934926619.db2.gz NHJJIJNMDGWWSX-BPLDGKMQSA-N 2 1 296.817 3.489 20 0 CGADMP C[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC001473676984 937816857 /nfs/dbraw/zinc/81/68/57/937816857.db2.gz AIFYNHSSCBXKJR-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001473713482 937818878 /nfs/dbraw/zinc/81/88/78/937818878.db2.gz SOSDESZLKBBPMC-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001473713482 937818879 /nfs/dbraw/zinc/81/88/79/937818879.db2.gz SOSDESZLKBBPMC-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001473713482 937818880 /nfs/dbraw/zinc/81/88/80/937818880.db2.gz SOSDESZLKBBPMC-MKXGPGLRSA-N 2 1 284.447 3.206 20 0 CGADMP CC[NH+](C/C=C\C[N@H+](CC)CC(C)C)CC(C)C ZINC001327864516 935090790 /nfs/dbraw/zinc/09/07/90/935090790.db2.gz OUXJBJSIHRWSFX-KTKRTIGZSA-N 2 1 254.462 3.498 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC001328815764 935171076 /nfs/dbraw/zinc/17/10/76/935171076.db2.gz NBEFBPGCGTWNEX-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC001329024850 935179565 /nfs/dbraw/zinc/17/95/65/935179565.db2.gz VRYQXRXTSMDLDI-HNAYVOBHSA-N 2 1 298.430 3.372 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC001331834675 935413252 /nfs/dbraw/zinc/41/32/52/935413252.db2.gz NDYQUPARXMHOLS-MLGOLLRUSA-N 2 1 264.413 3.407 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC001331834673 935413257 /nfs/dbraw/zinc/41/32/57/935413257.db2.gz NDYQUPARXMHOLS-LRDDRELGSA-N 2 1 264.413 3.407 20 0 CGADMP CC(C)(C)CCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332423749 935468573 /nfs/dbraw/zinc/46/85/73/935468573.db2.gz FLDFVVFCYOWUIM-UHFFFAOYSA-N 2 1 252.446 3.278 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC001333419749 935534725 /nfs/dbraw/zinc/53/47/25/935534725.db2.gz AXVDKBUFQFLBIW-ZIAGYGMSSA-N 2 1 266.454 3.439 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2c3ccccc3C[C@@H]2C)C1 ZINC001333422182 935534760 /nfs/dbraw/zinc/53/47/60/935534760.db2.gz ODEZFJJMQOWCFK-HDMKZQKVSA-N 2 1 272.436 3.241 20 0 CGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCCC(F)(F)F)C1 ZINC001334873488 936119748 /nfs/dbraw/zinc/11/97/48/936119748.db2.gz UGBMAQQORUVNIX-LBPRGKRZSA-N 2 1 289.345 3.017 20 0 CGADMP c1ccc([C@@]23CCCC[C@H]2C[N@H+]3CC23CC(C2)C[NH2+]3)cc1 ZINC001335948310 936168813 /nfs/dbraw/zinc/16/88/13/936168813.db2.gz FISXUDXTLKZFQB-UIDNRLJLSA-N 2 1 282.431 3.140 20 0 CGADMP c1ccc([C@@]23CCCC[C@H]2C[N@@H+]3CC23CC(C2)C[NH2+]3)cc1 ZINC001335948310 936168817 /nfs/dbraw/zinc/16/88/17/936168817.db2.gz FISXUDXTLKZFQB-UIDNRLJLSA-N 2 1 282.431 3.140 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC001474305754 937849977 /nfs/dbraw/zinc/84/99/77/937849977.db2.gz QRWTZJNBUWBEHV-HNNXBMFYSA-N 2 1 278.440 3.214 20 0 CGADMP CC(C)C1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC001474313662 937850445 /nfs/dbraw/zinc/85/04/45/937850445.db2.gz CXEUUXDRJOGNEU-MRXNPFEDSA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]([C@@H](C)C(C)C)C2CC2)CC1 ZINC001474409364 937858058 /nfs/dbraw/zinc/85/80/58/937858058.db2.gz ZFBPAYMSXFIHJP-AWEZNQCLSA-N 2 1 252.446 3.227 20 0 CGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC001549548328 938158101 /nfs/dbraw/zinc/15/81/01/938158101.db2.gz VSSCMRAMPIZSRW-VSZNYVQBSA-N 2 1 284.447 3.395 20 0 CGADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001550935117 938172880 /nfs/dbraw/zinc/17/28/80/938172880.db2.gz SSWJCAURLBNGEX-AITUJVMLSA-N 2 1 284.447 3.112 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552412694 938191840 /nfs/dbraw/zinc/19/18/40/938191840.db2.gz UOKDTZUGVGSBCC-RYRKJORJSA-N 2 1 272.436 3.241 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001552412159 938191861 /nfs/dbraw/zinc/19/18/61/938191861.db2.gz HJGOEPOWQSSWBN-XYJFISCASA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC001559524208 938228669 /nfs/dbraw/zinc/22/86/69/938228669.db2.gz VGTAIKHXSHZKHP-UHFFFAOYSA-N 2 1 292.442 3.420 20 0 CGADMP CCC[C@H](C)CCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043515 938242660 /nfs/dbraw/zinc/24/26/60/938242660.db2.gz BKVKJOXJPOQZGI-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043515 938242661 /nfs/dbraw/zinc/24/26/61/938242661.db2.gz BKVKJOXJPOQZGI-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[C@H](C)CCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001560043515 938242662 /nfs/dbraw/zinc/24/26/62/938242662.db2.gz BKVKJOXJPOQZGI-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CCC[C@H](C)CCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001560043515 938242663 /nfs/dbraw/zinc/24/26/63/938242663.db2.gz BKVKJOXJPOQZGI-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC001560319017 938252739 /nfs/dbraw/zinc/25/27/39/938252739.db2.gz MCGYIKVGEVFJLY-ZBFHGGJFSA-N 2 1 275.440 3.452 20 0 CGADMP CCCc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC001560533989 938261963 /nfs/dbraw/zinc/26/19/63/938261963.db2.gz KTZRMIYWQMGQML-GOSISDBHSA-N 2 1 274.452 3.461 20 0 CGADMP CC(C)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001560624854 938266531 /nfs/dbraw/zinc/26/65/31/938266531.db2.gz CKQBEGYBZMLKPS-RBUKOAKNSA-N 2 1 286.463 3.328 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CC1 ZINC001575305546 960468834 /nfs/dbraw/zinc/46/88/34/960468834.db2.gz YCSNACIDZMRUCO-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP CSCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001579382593 960483342 /nfs/dbraw/zinc/48/33/42/960483342.db2.gz GNTMBGWUBXBLNN-KRWDZBQOSA-N 2 1 290.476 3.125 20 0 CGADMP CC(C)(C)OCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001575248925 962354216 /nfs/dbraw/zinc/35/42/16/962354216.db2.gz BZPSORZUEWUWQJ-RDJZCZTQSA-N 2 1 296.499 3.421 20 0 CGADMP CC(C)C(C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C(C)C ZINC001575428434 962382334 /nfs/dbraw/zinc/38/23/34/962382334.db2.gz CHJQYMWZVZKWGQ-NXHRZFHOSA-N 2 1 296.499 3.275 20 0 CGADMP CC(C)CC[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)(F)F ZINC001575565802 962403166 /nfs/dbraw/zinc/40/31/66/962403166.db2.gz PVLTWBWEHKWAPE-NWDGAFQWSA-N 2 1 266.351 3.167 20 0 CGADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)(F)F ZINC001575565802 962403179 /nfs/dbraw/zinc/40/31/79/962403179.db2.gz PVLTWBWEHKWAPE-NWDGAFQWSA-N 2 1 266.351 3.167 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1cc(F)cc(F)c1 ZINC001576033823 962429201 /nfs/dbraw/zinc/42/92/01/962429201.db2.gz WPQZJFWFFLHVKG-LRDDRELGSA-N 2 1 294.389 3.333 20 0 CGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001576383997 962460618 /nfs/dbraw/zinc/46/06/18/962460618.db2.gz NIOIKHPMTFPRKC-LLLHUVSDSA-N 2 1 288.410 3.179 20 0 CGADMP CC1(C)C[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1c1cccnc1 ZINC001576457817 962464603 /nfs/dbraw/zinc/46/46/03/962464603.db2.gz OXWGTVRUDKMYQP-KRWDZBQOSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCc3ccccc3C1)CC[NH2+]CC2 ZINC001576638316 962477765 /nfs/dbraw/zinc/47/77/65/962477765.db2.gz OWIXPQZVWPKDPF-SJORKVTESA-N 2 1 298.474 3.256 20 0 CGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001576635938 962478952 /nfs/dbraw/zinc/47/89/52/962478952.db2.gz GARGPRPVRBUSQR-MTSZKFMLSA-N 2 1 264.457 3.405 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(C)C)C[NH2+]1 ZINC001576671326 962484127 /nfs/dbraw/zinc/48/41/27/962484127.db2.gz YELJWBUGABJSNS-IWCQGFGOSA-N 2 1 272.436 3.156 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC1(C)C ZINC001576734674 962493190 /nfs/dbraw/zinc/49/31/90/962493190.db2.gz HDJABTMMZGQNBU-CQSZACIVSA-N 2 1 272.436 3.200 20 0 CGADMP CC[C@@H]1CCCCC[N@H+]1Cc1cc(C(C)(C)[NH3+])no1 ZINC001577255709 962519313 /nfs/dbraw/zinc/51/93/13/962519313.db2.gz ZTLHERSIOKBUTC-GFCCVEGCSA-N 2 1 265.401 3.023 20 0 CGADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@H](C[NH3+])C(C)C ZINC001577737218 962563317 /nfs/dbraw/zinc/56/33/17/962563317.db2.gz XUWCCJVSVZSSRA-AWEZNQCLSA-N 2 1 268.832 3.393 20 0 CGADMP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]([NH3+])CCC(C)(C)C)C12CCC2 ZINC001578087652 962563654 /nfs/dbraw/zinc/56/36/54/962563654.db2.gz PQJRWSQBWGKLFW-OWCLPIDISA-N 2 1 296.499 3.420 20 0 CGADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C)C12CCC2 ZINC001578087652 962563666 /nfs/dbraw/zinc/56/36/66/962563666.db2.gz PQJRWSQBWGKLFW-OWCLPIDISA-N 2 1 296.499 3.420 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC001577687672 962567294 /nfs/dbraw/zinc/56/72/94/962567294.db2.gz ORKMQBYUYALBQX-ULQDDVLXSA-N 3 1 283.504 3.007 20 0 CGADMP CCc1ccccc1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC001578275372 962584666 /nfs/dbraw/zinc/58/46/66/962584666.db2.gz KHZINUKSAAAVEF-UHFFFAOYSA-N 2 1 286.463 3.256 20 0 CGADMP C[N@H+](CCC1CCCCC1)Cc1nc2c(s1)C[NH2+]CC2 ZINC001578463682 962590761 /nfs/dbraw/zinc/59/07/61/962590761.db2.gz NFPHIIFSFCSKLB-UHFFFAOYSA-N 2 1 293.480 3.191 20 0 CGADMP C[N@@H+](CCC1CCCCC1)Cc1nc2c(s1)C[NH2+]CC2 ZINC001578463682 962590765 /nfs/dbraw/zinc/59/07/65/962590765.db2.gz NFPHIIFSFCSKLB-UHFFFAOYSA-N 2 1 293.480 3.191 20 0 CGADMP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)c2ccccc12 ZINC001579216382 962613433 /nfs/dbraw/zinc/61/34/33/962613433.db2.gz REDLBKYTQCPXEV-HNNXBMFYSA-N 2 1 286.419 3.311 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC001579571626 962638857 /nfs/dbraw/zinc/63/88/57/962638857.db2.gz IIVMAKMYCZUUAE-CKBPIOJVSA-N 2 1 272.436 3.294 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC001579571626 962638868 /nfs/dbraw/zinc/63/88/68/962638868.db2.gz IIVMAKMYCZUUAE-CKBPIOJVSA-N 2 1 272.436 3.294 20 0 CGADMP Cc1cc(C)c(/C=C\C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1C ZINC001579571349 962640156 /nfs/dbraw/zinc/64/01/56/962640156.db2.gz CIYKUBYWSHCFIQ-VGOKWCNXSA-N 2 1 272.436 3.296 20 0 CGADMP Cc1[nH+]c(NC[C@H]2C[C@@H]([NH3+])C2)ccc1-c1ccccc1 ZINC001579867282 962678294 /nfs/dbraw/zinc/67/82/94/962678294.db2.gz VMLHBCVYZDRSEO-OTVXOJSOSA-N 2 1 267.376 3.206 20 0 CGADMP FC1(F)CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC001580024511 962688093 /nfs/dbraw/zinc/68/80/93/962688093.db2.gz YNLSHERSALFPNK-NUEKZKHPSA-N 2 1 294.389 3.157 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)C12CCC2 ZINC001580162864 962697349 /nfs/dbraw/zinc/69/73/49/962697349.db2.gz HDIITPZDEXMUNM-OLZOCXBDSA-N 2 1 285.218 3.353 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)CC(F)F ZINC001580132887 962699228 /nfs/dbraw/zinc/69/92/28/962699228.db2.gz RFLRSZCGYMRUDD-FPMFFAJLSA-N 2 1 286.341 3.034 20 0 CGADMP [NH3+]CCC[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccc1 ZINC001580289955 962707748 /nfs/dbraw/zinc/70/77/48/962707748.db2.gz ZGZVWMLGNVLHPT-MRXNPFEDSA-N 2 1 285.391 3.122 20 0 CGADMP [NH3+]CC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001580312817 962714655 /nfs/dbraw/zinc/71/46/55/962714655.db2.gz XYECCLCREHZEIQ-UHFFFAOYSA-N 2 1 272.314 3.023 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001580895393 962739963 /nfs/dbraw/zinc/73/99/63/962739963.db2.gz JFNMDFHLSFGDSO-QAPCUYQASA-N 2 1 283.419 3.132 20 0 CGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000651228788 398219307 /nfs/dbraw/zinc/21/93/07/398219307.db2.gz AUDVCSPUZXVTNQ-SJORKVTESA-N 2 1 296.499 3.434 20 0 CGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000337523105 214138735 /nfs/dbraw/zinc/13/87/35/214138735.db2.gz QQFHAKWVFVKRNI-SQNIBIBYSA-N 2 1 296.499 3.293 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000651692746 398270343 /nfs/dbraw/zinc/27/03/43/398270343.db2.gz QBZCCUWLTAXCIY-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000621784057 349586000 /nfs/dbraw/zinc/58/60/00/349586000.db2.gz JAKGDHXLGATLDG-UVBJJODRSA-N 2 1 276.811 3.141 20 0 CGADMP [NH3+][C@]12CCC[C@H]1C[N@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000621784057 349586004 /nfs/dbraw/zinc/58/60/04/349586004.db2.gz JAKGDHXLGATLDG-UVBJJODRSA-N 2 1 276.811 3.141 20 0 CGADMP CC1(C)CC([NH2+]Cc2cc3cnccc3o2)CC(C)(C)[NH2+]1 ZINC000651749699 398282061 /nfs/dbraw/zinc/28/20/61/398282061.db2.gz GLIUMOHQFCRSIN-UHFFFAOYSA-N 2 1 287.407 3.227 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)ccc1F ZINC000651865256 398298254 /nfs/dbraw/zinc/29/82/54/398298254.db2.gz RXZAOTDLZISBHH-CQSZACIVSA-N 2 1 296.430 3.463 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)ccc1F ZINC000651865256 398298256 /nfs/dbraw/zinc/29/82/56/398298256.db2.gz RXZAOTDLZISBHH-CQSZACIVSA-N 2 1 296.430 3.463 20 0 CGADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337986867 214345627 /nfs/dbraw/zinc/34/56/27/214345627.db2.gz CDDRZPBQCDUICA-XJKSGUPXSA-N 2 1 268.420 3.121 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C1CCCCC1 ZINC000651909912 398304913 /nfs/dbraw/zinc/30/49/13/398304913.db2.gz ACIFYWFRNHYSSY-BFYDXBDKSA-N 2 1 282.472 3.187 20 0 CGADMP CCC[C@@H](C)[C@@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338018775 214364631 /nfs/dbraw/zinc/36/46/31/214364631.db2.gz LWSTVECSNDYZHR-UKRRQHHQSA-N 2 1 251.418 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCCC(C)C ZINC000338017002 214362139 /nfs/dbraw/zinc/36/21/39/214362139.db2.gz ILKCKHLVHFXFDF-AWEZNQCLSA-N 2 1 251.418 3.386 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338024574 214368788 /nfs/dbraw/zinc/36/87/88/214368788.db2.gz UOSIIOPMVKQSCR-NUEKZKHPSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CC2 ZINC000651959658 398312949 /nfs/dbraw/zinc/31/29/49/398312949.db2.gz WYGWRDGFBNGCMU-KRWDZBQOSA-N 2 1 281.403 3.233 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000273143554 192055887 /nfs/dbraw/zinc/05/58/87/192055887.db2.gz FRGYQPJXMRFTTJ-CQSZACIVSA-N 2 1 276.424 3.057 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cn1 ZINC000273146416 192057470 /nfs/dbraw/zinc/05/74/70/192057470.db2.gz GMOTUHYOVMRPCW-OAHLLOKOSA-N 2 1 284.407 3.244 20 0 CGADMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)[C@@H]1C[C@H]1C ZINC000414112444 529585782 /nfs/dbraw/zinc/58/57/82/529585782.db2.gz JUZJNBDXJFHFOH-OIISXLGYSA-N 2 1 287.451 3.383 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000423362593 529605834 /nfs/dbraw/zinc/60/58/34/529605834.db2.gz NCDAAILOLHMYRP-DOMZBBRYSA-N 2 1 268.351 3.148 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423361780 529605941 /nfs/dbraw/zinc/60/59/41/529605941.db2.gz MOYFOCNOCBZXJZ-OCCSQVGLSA-N 2 1 298.377 3.471 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000423315891 529611175 /nfs/dbraw/zinc/61/11/75/529611175.db2.gz JGEAOXAZZLCGMD-KGLIPLIRSA-N 2 1 297.240 3.227 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000127360109 282204414 /nfs/dbraw/zinc/20/44/14/282204414.db2.gz FSAIKIGXLJFCOT-KRWDZBQOSA-N 2 1 273.424 3.404 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000127360109 282204418 /nfs/dbraw/zinc/20/44/18/282204418.db2.gz FSAIKIGXLJFCOT-KRWDZBQOSA-N 2 1 273.424 3.404 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623358078 349788308 /nfs/dbraw/zinc/78/83/08/349788308.db2.gz NDODDGYSJIAYAQ-DLBZAZTESA-N 3 1 295.515 3.103 20 0 CGADMP C[C@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358078 349788313 /nfs/dbraw/zinc/78/83/13/349788313.db2.gz NDODDGYSJIAYAQ-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP C[C@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358078 349788314 /nfs/dbraw/zinc/78/83/14/349788314.db2.gz NDODDGYSJIAYAQ-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623358078 349788318 /nfs/dbraw/zinc/78/83/18/349788318.db2.gz NDODDGYSJIAYAQ-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623358078 349788321 /nfs/dbraw/zinc/78/83/21/349788321.db2.gz NDODDGYSJIAYAQ-DLBZAZTESA-N 2 1 295.515 3.103 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)CC1(C)C ZINC000623360641 349789036 /nfs/dbraw/zinc/78/90/36/349789036.db2.gz RZTDBKXDHKNGBR-NSHDSACASA-N 2 1 286.872 3.406 20 0 CGADMP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623372260 349792369 /nfs/dbraw/zinc/79/23/69/349792369.db2.gz MCGMIISPTKKMJI-JKSUJKDBSA-N 2 1 290.451 3.225 20 0 CGADMP C[N@@H+](CCCN[C@@H]1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346127 349784462 /nfs/dbraw/zinc/78/44/62/349784462.db2.gz HAQUOKSMSFPQRN-MRXNPFEDSA-N 3 1 295.515 3.103 20 0 CGADMP C[NH+](CCCN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346127 349784467 /nfs/dbraw/zinc/78/44/67/349784467.db2.gz HAQUOKSMSFPQRN-MRXNPFEDSA-N 3 1 295.515 3.103 20 0 CGADMP C[NH+](CCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346127 349784471 /nfs/dbraw/zinc/78/44/71/349784471.db2.gz HAQUOKSMSFPQRN-MRXNPFEDSA-N 3 1 295.515 3.103 20 0 CGADMP C[N@H+](CCC[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346127 349784476 /nfs/dbraw/zinc/78/44/76/349784476.db2.gz HAQUOKSMSFPQRN-MRXNPFEDSA-N 3 1 295.515 3.103 20 0 CGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346127 349784480 /nfs/dbraw/zinc/78/44/80/349784480.db2.gz HAQUOKSMSFPQRN-MRXNPFEDSA-N 3 1 295.515 3.103 20 0 CGADMP C[NH+](CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346127 349784482 /nfs/dbraw/zinc/78/44/82/349784482.db2.gz HAQUOKSMSFPQRN-MRXNPFEDSA-N 3 1 295.515 3.103 20 0 CGADMP C[NH+](CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623346127 349784486 /nfs/dbraw/zinc/78/44/86/349784486.db2.gz HAQUOKSMSFPQRN-MRXNPFEDSA-N 3 1 295.515 3.103 20 0 CGADMP C[N@H+]1CC[C@H](N[C@@H]2CCCc3occc32)CC1(C)C ZINC000623356174 349786963 /nfs/dbraw/zinc/78/69/63/349786963.db2.gz AZLJUELTWODCEF-GXTWGEPZSA-N 2 1 262.397 3.119 20 0 CGADMP CN1CC[C@H]([NH2+][C@@H]2CCCc3occc32)CC1(C)C ZINC000623356174 349786966 /nfs/dbraw/zinc/78/69/66/349786966.db2.gz AZLJUELTWODCEF-GXTWGEPZSA-N 2 1 262.397 3.119 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)CC1(C)C ZINC000623356174 349786972 /nfs/dbraw/zinc/78/69/72/349786972.db2.gz AZLJUELTWODCEF-GXTWGEPZSA-N 2 1 262.397 3.119 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)CC1(C)C ZINC000623356174 349786975 /nfs/dbraw/zinc/78/69/75/349786975.db2.gz AZLJUELTWODCEF-GXTWGEPZSA-N 2 1 262.397 3.119 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(F)cc1 ZINC000423262965 529668588 /nfs/dbraw/zinc/66/85/88/529668588.db2.gz NXIZMNPHIWKTFN-GJZGRUSLSA-N 2 1 252.377 3.240 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOc2ccc(F)cc2)CC1(C)C ZINC000623385061 349795834 /nfs/dbraw/zinc/79/58/34/349795834.db2.gz ZUGOEHHMLHQCNG-OAHLLOKOSA-N 2 1 294.414 3.057 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623384764 349795873 /nfs/dbraw/zinc/79/58/73/349795873.db2.gz ISECSAVBPBACQR-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2Cl)CC1(C)C ZINC000623383461 349795004 /nfs/dbraw/zinc/79/50/04/349795004.db2.gz VNOAAJPUCZFJFT-CQSZACIVSA-N 2 1 280.843 3.345 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ccccc3n2)CC1(C)C ZINC000623383945 349795395 /nfs/dbraw/zinc/79/53/95/349795395.db2.gz IKHXEQJGSKGEQP-QGZVFWFLSA-N 2 1 297.446 3.240 20 0 CGADMP C[N@H+]1CC[C@@H](NCc2ccc(F)c(Cl)c2)CC1(C)C ZINC000623394431 349798024 /nfs/dbraw/zinc/79/80/24/349798024.db2.gz FKYNVGHEHGCTMU-GFCCVEGCSA-N 2 1 284.806 3.442 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC1(C)C ZINC000623394431 349798034 /nfs/dbraw/zinc/79/80/34/349798034.db2.gz FKYNVGHEHGCTMU-GFCCVEGCSA-N 2 1 284.806 3.442 20 0 CGADMP CC[NH+](CC)CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000350311652 136378280 /nfs/dbraw/zinc/37/82/80/136378280.db2.gz JQIBVWPPQFPMLL-UHFFFAOYSA-N 2 1 281.831 3.293 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CC(OC(C)(C)C)C2)CC1(C)C ZINC000623507563 349823743 /nfs/dbraw/zinc/82/37/43/349823743.db2.gz QKZSGCGMRRFRIK-PCKAHOCUSA-N 2 1 296.499 3.433 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2F)CC1(C)C ZINC000623512043 349824512 /nfs/dbraw/zinc/82/45/12/349824512.db2.gz RKQRHTPAGASYRP-OAHLLOKOSA-N 2 1 278.415 3.221 20 0 CGADMP CC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623549582 349831223 /nfs/dbraw/zinc/83/12/23/349831223.db2.gz HCFSMVAKGNQJHI-NEPJUHHUSA-N 2 1 280.378 3.427 20 0 CGADMP CCc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657638 349859692 /nfs/dbraw/zinc/85/96/92/349859692.db2.gz VUHKIDJAFOCXRF-QGZVFWFLSA-N 2 1 260.425 3.071 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000623655524 349856700 /nfs/dbraw/zinc/85/67/00/349856700.db2.gz YXIQCFKDNUNCHB-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000623655524 349856702 /nfs/dbraw/zinc/85/67/02/349856702.db2.gz YXIQCFKDNUNCHB-CYBMUJFWSA-N 2 1 266.816 3.162 20 0 CGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000623657200 349858156 /nfs/dbraw/zinc/85/81/56/349858156.db2.gz LCAYOHBWPSZDJO-CYBMUJFWSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000623657200 349858160 /nfs/dbraw/zinc/85/81/60/349858160.db2.gz LCAYOHBWPSZDJO-CYBMUJFWSA-N 2 1 284.806 3.301 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1nc2ccccc2s1 ZINC000359227303 529877480 /nfs/dbraw/zinc/87/74/80/529877480.db2.gz WHMJKGROTYUHBM-UHFFFAOYSA-N 2 1 289.448 3.118 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351590788 219138535 /nfs/dbraw/zinc/13/85/35/219138535.db2.gz YXJORWJGJHJZGS-CYBMUJFWSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351590788 219138536 /nfs/dbraw/zinc/13/85/36/219138536.db2.gz YXJORWJGJHJZGS-CYBMUJFWSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000351590788 219138539 /nfs/dbraw/zinc/13/85/39/219138539.db2.gz YXJORWJGJHJZGS-CYBMUJFWSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351590788 219138541 /nfs/dbraw/zinc/13/85/41/219138541.db2.gz YXJORWJGJHJZGS-CYBMUJFWSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000423267024 529999799 /nfs/dbraw/zinc/99/97/99/529999799.db2.gz DPBTVHWZBHPKFO-VHSXEESVSA-N 2 1 275.223 3.500 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1C ZINC000351603080 219141520 /nfs/dbraw/zinc/14/15/20/219141520.db2.gz RFLGPPQPURQZAG-KRWDZBQOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1C ZINC000351603080 219141523 /nfs/dbraw/zinc/14/15/23/219141523.db2.gz RFLGPPQPURQZAG-KRWDZBQOSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000351603080 219141526 /nfs/dbraw/zinc/14/15/26/219141526.db2.gz RFLGPPQPURQZAG-KRWDZBQOSA-N 2 1 260.425 3.077 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4ccoc43)C2)C1 ZINC000449343043 530059731 /nfs/dbraw/zinc/05/97/31/530059731.db2.gz HGSHPNLMQFEUDT-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4ccoc43)C2)C1 ZINC000449343043 530059732 /nfs/dbraw/zinc/05/97/32/530059732.db2.gz HGSHPNLMQFEUDT-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4ccoc43)C2)C1 ZINC000449343043 530059733 /nfs/dbraw/zinc/05/97/33/530059733.db2.gz HGSHPNLMQFEUDT-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000044535789 345013418 /nfs/dbraw/zinc/01/34/18/345013418.db2.gz OKFRTKJFWMOCMY-HNNXBMFYSA-N 2 1 268.404 3.271 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)o1 ZINC000273243096 192085836 /nfs/dbraw/zinc/08/58/36/192085836.db2.gz BYLPHBKNIBKYPP-WCQYABFASA-N 2 1 275.396 3.388 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000063522171 345248813 /nfs/dbraw/zinc/24/88/13/345248813.db2.gz AGGPKPQYHCLAOA-UHFFFAOYSA-N 2 1 292.452 3.125 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000065932398 345281357 /nfs/dbraw/zinc/28/13/57/345281357.db2.gz YFLMDNQBDSREGC-UHFFFAOYSA-N 2 1 281.762 3.164 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000079745998 345653863 /nfs/dbraw/zinc/65/38/63/345653863.db2.gz ZKRUJJLNEBEDSD-ZFWWWQNUSA-N 2 1 263.429 3.386 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000156165976 232226335 /nfs/dbraw/zinc/22/63/35/232226335.db2.gz PMPWWEDNFZUPIF-YWPYICTPSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000156165976 232226337 /nfs/dbraw/zinc/22/63/37/232226337.db2.gz PMPWWEDNFZUPIF-YWPYICTPSA-N 2 1 266.816 3.473 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000090853911 345796444 /nfs/dbraw/zinc/79/64/44/345796444.db2.gz OOGVHHOKKURERD-ZRGWGRIASA-N 2 1 286.463 3.110 20 0 CGADMP C[C@H]1CCC[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000092796685 345858962 /nfs/dbraw/zinc/85/89/62/345858962.db2.gz MELDFCKJHNEEIT-GOEBONIOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@H](c1cccc2ccccc21)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119959 345939932 /nfs/dbraw/zinc/93/99/32/345939932.db2.gz IFXHWACCFBICPY-BMFZPTHFSA-N 2 1 266.388 3.052 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000121417460 346002366 /nfs/dbraw/zinc/00/23/66/346002366.db2.gz MBOKGPSXGHDDDK-QWHCGFSZSA-N 2 1 277.437 3.110 20 0 CGADMP CC(C)c1ccc(CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000127371697 346030888 /nfs/dbraw/zinc/03/08/88/346030888.db2.gz MSYZNKONQPECBB-QGZVFWFLSA-N 2 1 286.463 3.426 20 0 CGADMP C[N@H+](CCOc1ccc(F)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000351691115 219177035 /nfs/dbraw/zinc/17/70/35/219177035.db2.gz IBQMSPFANHGQBT-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP C[N@@H+](CCOc1ccc(F)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000351691115 219177038 /nfs/dbraw/zinc/17/70/38/219177038.db2.gz IBQMSPFANHGQBT-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1ccc(F)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000351691115 219177040 /nfs/dbraw/zinc/17/70/40/219177040.db2.gz IBQMSPFANHGQBT-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP C[NH+](CCOc1ccc(F)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000351691115 219177042 /nfs/dbraw/zinc/17/70/42/219177042.db2.gz IBQMSPFANHGQBT-INIZCTEOSA-N 2 1 294.414 3.011 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000250495889 346385594 /nfs/dbraw/zinc/38/55/94/346385594.db2.gz IYQOCJPPJLFYOW-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP Cc1sc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nc1C(C)C ZINC000422714490 282477742 /nfs/dbraw/zinc/47/77/42/282477742.db2.gz RDJGVCOTGVJDLX-OLZOCXBDSA-N 2 1 281.469 3.182 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000388747295 346570955 /nfs/dbraw/zinc/57/09/55/346570955.db2.gz JXQIUGGKUTXEGH-HOTGVXAUSA-N 2 1 262.441 3.326 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000388747295 346570958 /nfs/dbraw/zinc/57/09/58/346570958.db2.gz JXQIUGGKUTXEGH-HOTGVXAUSA-N 2 1 262.441 3.326 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000401766995 346592793 /nfs/dbraw/zinc/59/27/93/346592793.db2.gz GWAVCLIHQWJSIB-UHFFFAOYSA-N 2 1 289.766 3.152 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000584697047 346708195 /nfs/dbraw/zinc/70/81/95/346708195.db2.gz ARVICXXECWPZRX-JJXSEGSLSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000339278777 215060707 /nfs/dbraw/zinc/06/07/07/215060707.db2.gz CEHDJJWPRVAIHN-SWLSCSKDSA-N 2 1 266.816 3.221 20 0 CGADMP CS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598981369 347703526 /nfs/dbraw/zinc/70/35/26/347703526.db2.gz OMHACNLEFQQCDM-MGPQQGTHSA-N 2 1 270.486 3.123 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000125966966 535064563 /nfs/dbraw/zinc/06/45/63/535064563.db2.gz ICQPMPNVOPNNOK-CVEARBPZSA-N 2 1 292.471 3.235 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120443 349977460 /nfs/dbraw/zinc/97/74/60/349977460.db2.gz ZHMXAALRKOMMAJ-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120443 349977463 /nfs/dbraw/zinc/97/74/63/349977463.db2.gz ZHMXAALRKOMMAJ-HUUCEWRRSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120760 349978875 /nfs/dbraw/zinc/97/88/75/349978875.db2.gz GJVTVSSARBGRQG-JKSUJKDBSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120838 349978353 /nfs/dbraw/zinc/97/83/53/349978353.db2.gz ICPCGCTWZYLJJO-KFWWJZLASA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120699 349978586 /nfs/dbraw/zinc/97/85/86/349978586.db2.gz FIYFIXCUQHBGJA-RDJZCZTQSA-N 2 1 292.442 3.468 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000624123154 349981921 /nfs/dbraw/zinc/98/19/21/349981921.db2.gz GTPKSOTWXSKGNP-CQSZACIVSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1C[C@H](C)[NH+](C/C=C\C[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000607155684 348226031 /nfs/dbraw/zinc/22/60/31/348226031.db2.gz YGIXCULNXGPMPI-XHHYWGRASA-N 2 1 250.430 3.003 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000339407547 215153447 /nfs/dbraw/zinc/15/34/47/215153447.db2.gz OYJDZWJSFJCAFE-IAGOWNOFSA-N 2 1 290.451 3.295 20 0 CGADMP C[N@@H+](CCCCCOc1ccccc1)CC(C)(C)C[NH3+] ZINC000339410285 215155735 /nfs/dbraw/zinc/15/57/35/215155735.db2.gz QPOCRZCWKSAEFT-UHFFFAOYSA-N 2 1 278.440 3.152 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNCc1nc2ccccc2o1 ZINC000607426662 348238033 /nfs/dbraw/zinc/23/80/33/348238033.db2.gz XMKOGSSYOOQINO-AWEZNQCLSA-N 2 1 287.407 3.182 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000339426920 215160921 /nfs/dbraw/zinc/16/09/21/215160921.db2.gz BTXKDKLPOXVAQO-QRVBRYPASA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000339426920 215160923 /nfs/dbraw/zinc/16/09/23/215160923.db2.gz BTXKDKLPOXVAQO-QRVBRYPASA-N 2 1 284.447 3.208 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000339426920 215160925 /nfs/dbraw/zinc/16/09/25/215160925.db2.gz BTXKDKLPOXVAQO-QRVBRYPASA-N 2 1 284.447 3.208 20 0 CGADMP Cc1cc(C)cc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000607739254 348260050 /nfs/dbraw/zinc/26/00/50/348260050.db2.gz KATPYGICZVRLDT-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000607739254 348260055 /nfs/dbraw/zinc/26/00/55/348260055.db2.gz KATPYGICZVRLDT-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000607739254 348260060 /nfs/dbraw/zinc/26/00/60/348260060.db2.gz KATPYGICZVRLDT-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(C)cc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000607739254 348260064 /nfs/dbraw/zinc/26/00/64/348260064.db2.gz KATPYGICZVRLDT-SJORKVTESA-N 2 1 290.451 3.097 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339432668 215163663 /nfs/dbraw/zinc/16/36/63/215163663.db2.gz JWKBDZQPLCULDU-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339432668 215163666 /nfs/dbraw/zinc/16/36/66/215163666.db2.gz JWKBDZQPLCULDU-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339432668 215163668 /nfs/dbraw/zinc/16/36/68/215163668.db2.gz JWKBDZQPLCULDU-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339432668 215163670 /nfs/dbraw/zinc/16/36/70/215163670.db2.gz JWKBDZQPLCULDU-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000608061443 348280627 /nfs/dbraw/zinc/28/06/27/348280627.db2.gz CISJOXBPRQTYEN-PBHICJAKSA-N 2 1 260.425 3.211 20 0 CGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1nc(C)cs1 ZINC000273333808 192117206 /nfs/dbraw/zinc/11/72/06/192117206.db2.gz CSHOLIDCDGHJKS-CYBMUJFWSA-N 2 1 278.425 3.087 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000358089313 233057134 /nfs/dbraw/zinc/05/71/34/233057134.db2.gz UDVYVFNYSOWIEK-QWHCGFSZSA-N 2 1 277.456 3.488 20 0 CGADMP Cc1ncsc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358477959 233139990 /nfs/dbraw/zinc/13/99/90/233139990.db2.gz AHYGIKVQTUAWGA-GXTWGEPZSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ncsc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358477959 233139994 /nfs/dbraw/zinc/13/99/94/233139994.db2.gz AHYGIKVQTUAWGA-GXTWGEPZSA-N 2 1 293.480 3.194 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000271191168 190990705 /nfs/dbraw/zinc/99/07/05/190990705.db2.gz PXAHBBAWNXVUGA-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000271191168 190990708 /nfs/dbraw/zinc/99/07/08/190990708.db2.gz PXAHBBAWNXVUGA-INIZCTEOSA-N 2 1 297.446 3.399 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H]1CCC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000625271012 350150878 /nfs/dbraw/zinc/15/08/78/350150878.db2.gz UPNBVXMQXSJIBS-HHARLNAUSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2C[C@H]2C)CC1 ZINC000625271012 350150879 /nfs/dbraw/zinc/15/08/79/350150879.db2.gz UPNBVXMQXSJIBS-HHARLNAUSA-N 2 1 264.457 3.085 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2C[C@H]2C)CC1 ZINC000625271012 350150880 /nfs/dbraw/zinc/15/08/80/350150880.db2.gz UPNBVXMQXSJIBS-HHARLNAUSA-N 2 1 264.457 3.085 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1COC(C)(C)C1 ZINC000626063996 350255508 /nfs/dbraw/zinc/25/55/08/350255508.db2.gz YLHVHFPVMHOGFA-KRWDZBQOSA-N 2 1 290.451 3.138 20 0 CGADMP C/C=C\C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000626164261 350276010 /nfs/dbraw/zinc/27/60/10/350276010.db2.gz ZSEJYGUCYZJHHK-QGZUEGPWSA-N 2 1 261.413 3.260 20 0 CGADMP C/C=C\C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000626164261 350276014 /nfs/dbraw/zinc/27/60/14/350276014.db2.gz ZSEJYGUCYZJHHK-QGZUEGPWSA-N 2 1 261.413 3.260 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628202844 350439639 /nfs/dbraw/zinc/43/96/39/350439639.db2.gz JZNSHSXIURNOGM-CVEARBPZSA-N 2 1 284.513 3.374 20 0 CGADMP Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000628214920 350444397 /nfs/dbraw/zinc/44/43/97/350444397.db2.gz RMGCKSOIJDIBFJ-CVEARBPZSA-N 2 1 260.425 3.030 20 0 CGADMP Cc1nc(C)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000628232921 350454372 /nfs/dbraw/zinc/45/43/72/350454372.db2.gz UTRMHNCLSYFKSR-UHFFFAOYSA-N 2 1 299.418 3.177 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC000628295154 350483218 /nfs/dbraw/zinc/48/32/18/350483218.db2.gz DCCLEIDQKQDECU-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000629535117 350705038 /nfs/dbraw/zinc/70/50/38/350705038.db2.gz CFWVOMRMHUKHQT-WMZOPIPTSA-N 2 1 287.451 3.074 20 0 CGADMP CCC[C@H](C)CCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629539576 350706540 /nfs/dbraw/zinc/70/65/40/350706540.db2.gz QVYNFLYWUSYHFP-WNRNVDISSA-N 2 1 296.499 3.421 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000629540297 350706767 /nfs/dbraw/zinc/70/67/67/350706767.db2.gz OPWVNNZRUWYXAQ-VBQJREDUSA-N 2 1 289.467 3.319 20 0 CGADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000629547261 350710018 /nfs/dbraw/zinc/71/00/18/350710018.db2.gz SHTVVXRHXZHMGR-DLKVLKDVSA-N 2 1 278.827 3.316 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)[C@@H]1CCC[NH3+] ZINC000629550150 350710940 /nfs/dbraw/zinc/71/09/40/350710940.db2.gz YNYOTLQXRJMZDY-MLGOLLRUSA-N 2 1 296.842 3.385 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631036285 350933028 /nfs/dbraw/zinc/93/30/28/350933028.db2.gz ZIVXGFXMCCMKFK-UHFFFAOYSA-N 2 1 272.367 3.163 20 0 CGADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCCc2ncccc21 ZINC000631642965 351103117 /nfs/dbraw/zinc/10/31/17/351103117.db2.gz SAARVSXQXUGSDT-KRWDZBQOSA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631642965 351103119 /nfs/dbraw/zinc/10/31/19/351103119.db2.gz SAARVSXQXUGSDT-KRWDZBQOSA-N 2 1 275.440 3.027 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631642965 351103121 /nfs/dbraw/zinc/10/31/21/351103121.db2.gz SAARVSXQXUGSDT-KRWDZBQOSA-N 2 1 275.440 3.027 20 0 CGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](C)CC1 ZINC000631564350 351067709 /nfs/dbraw/zinc/06/77/09/351067709.db2.gz KFZYAHSHCOWECQ-CQSZACIVSA-N 2 1 285.435 3.173 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CCCc2ncccc21)[NH+]1CCCCC1 ZINC000631618180 351092250 /nfs/dbraw/zinc/09/22/50/351092250.db2.gz RRFXMOKSQOALGY-CRAIPNDOSA-N 2 1 287.451 3.313 20 0 CGADMP FC(F)c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890712 351152547 /nfs/dbraw/zinc/15/25/47/351152547.db2.gz SKZLKXRARROBIX-GJZGRUSLSA-N 2 1 280.362 3.198 20 0 CGADMP FC(F)c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890712 351152548 /nfs/dbraw/zinc/15/25/48/351152548.db2.gz SKZLKXRARROBIX-GJZGRUSLSA-N 2 1 280.362 3.198 20 0 CGADMP Cc1ccc2cc(C[N@@H+]3CCCCC[C@@H]([NH3+])C3)ccc2n1 ZINC000634997010 351620598 /nfs/dbraw/zinc/62/05/98/351620598.db2.gz AYZBQHVYAKXLPC-QGZVFWFLSA-N 2 1 283.419 3.247 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CCCCC[C@@H]([NH3+])C3)ccc2n1 ZINC000634997010 351620603 /nfs/dbraw/zinc/62/06/03/351620603.db2.gz AYZBQHVYAKXLPC-QGZVFWFLSA-N 2 1 283.419 3.247 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)o1 ZINC000635004280 351622759 /nfs/dbraw/zinc/62/27/59/351622759.db2.gz HTHZNOHXBLRNMG-ZBFHGGJFSA-N 2 1 272.392 3.199 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1F ZINC000635011658 351629470 /nfs/dbraw/zinc/62/94/70/351629470.db2.gz ONVNQHQZSWZNCT-WCQYABFASA-N 2 1 282.378 3.394 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(F)c1 ZINC000635011086 351629691 /nfs/dbraw/zinc/62/96/91/351629691.db2.gz MEQNSDVPZBASOW-STQMWFEESA-N 2 1 294.414 3.263 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123172198 187075853 /nfs/dbraw/zinc/07/58/53/187075853.db2.gz GJJUNWGWVDVILD-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123172198 187075854 /nfs/dbraw/zinc/07/58/54/187075854.db2.gz GJJUNWGWVDVILD-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123172198 187075855 /nfs/dbraw/zinc/07/58/55/187075855.db2.gz GJJUNWGWVDVILD-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123172198 187075856 /nfs/dbraw/zinc/07/58/56/187075856.db2.gz GJJUNWGWVDVILD-WBVHZDCISA-N 2 1 260.425 3.218 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000122941847 187061209 /nfs/dbraw/zinc/06/12/09/187061209.db2.gz IFOAXUCXAQFKGN-KBMXLJTQSA-N 2 1 260.425 3.437 20 0 CGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000122941847 187061210 /nfs/dbraw/zinc/06/12/10/187061210.db2.gz IFOAXUCXAQFKGN-KBMXLJTQSA-N 2 1 260.425 3.437 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000123194081 187077010 /nfs/dbraw/zinc/07/70/10/187077010.db2.gz BHSZRSWASLVNEA-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3cccnc32)CC[N@H+]1C ZINC000123194081 187077011 /nfs/dbraw/zinc/07/70/11/187077011.db2.gz BHSZRSWASLVNEA-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3cccnc32)CC[NH+]1C ZINC000123194081 187077012 /nfs/dbraw/zinc/07/70/12/187077012.db2.gz BHSZRSWASLVNEA-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3cccnc32)CC[NH+]1C ZINC000123194081 187077013 /nfs/dbraw/zinc/07/70/13/187077013.db2.gz BHSZRSWASLVNEA-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccccc2)CC[N@@H+]1C ZINC000123442629 187091933 /nfs/dbraw/zinc/09/19/33/187091933.db2.gz UNLLPWJYTUVAIR-WBVHZDCISA-N 2 1 260.425 3.034 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccccc2)CC[N@H+]1C ZINC000123442629 187091934 /nfs/dbraw/zinc/09/19/34/187091934.db2.gz UNLLPWJYTUVAIR-WBVHZDCISA-N 2 1 260.425 3.034 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccccc2)CC[NH+]1C ZINC000123442629 187091935 /nfs/dbraw/zinc/09/19/35/187091935.db2.gz UNLLPWJYTUVAIR-WBVHZDCISA-N 2 1 260.425 3.034 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CC[NH+]1C ZINC000123442629 187091936 /nfs/dbraw/zinc/09/19/36/187091936.db2.gz UNLLPWJYTUVAIR-WBVHZDCISA-N 2 1 260.425 3.034 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000366533178 234173853 /nfs/dbraw/zinc/17/38/53/234173853.db2.gz HAXMXYQIYNAALY-OAHLLOKOSA-N 2 1 299.418 3.255 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000366533178 234173856 /nfs/dbraw/zinc/17/38/56/234173856.db2.gz HAXMXYQIYNAALY-OAHLLOKOSA-N 2 1 299.418 3.255 20 0 CGADMP c1ccc(C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000152377280 188013414 /nfs/dbraw/zinc/01/34/14/188013414.db2.gz ZQFJFIIYXQYOBR-APWZRJJASA-N 2 1 284.447 3.082 20 0 CGADMP CCCC[N@H+](C)CC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000127804699 535217937 /nfs/dbraw/zinc/21/79/37/535217937.db2.gz KTTCVGGQVSSEOS-UHFFFAOYSA-N 2 1 275.440 3.338 20 0 CGADMP CCCC[N@@H+](C)CC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000127804699 535217946 /nfs/dbraw/zinc/21/79/46/535217946.db2.gz KTTCVGGQVSSEOS-UHFFFAOYSA-N 2 1 275.440 3.338 20 0 CGADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000369544017 234384408 /nfs/dbraw/zinc/38/44/08/234384408.db2.gz OXJCUXBZYQGIMM-SFHVURJKSA-N 2 1 297.446 3.027 20 0 CGADMP CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157054478 188295430 /nfs/dbraw/zinc/29/54/30/188295430.db2.gz DZUFQGNCFNLORV-WBVHZDCISA-N 2 1 260.425 3.381 20 0 CGADMP CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157054478 188295431 /nfs/dbraw/zinc/29/54/31/188295431.db2.gz DZUFQGNCFNLORV-WBVHZDCISA-N 2 1 260.425 3.381 20 0 CGADMP CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157054478 188295433 /nfs/dbraw/zinc/29/54/33/188295433.db2.gz DZUFQGNCFNLORV-WBVHZDCISA-N 2 1 260.425 3.381 20 0 CGADMP CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157054478 188295435 /nfs/dbraw/zinc/29/54/35/188295435.db2.gz DZUFQGNCFNLORV-WBVHZDCISA-N 2 1 260.425 3.381 20 0 CGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000423476482 282949383 /nfs/dbraw/zinc/94/93/83/282949383.db2.gz LOCCKZSHBPCEOQ-ZIAGYGMSSA-N 2 1 286.410 3.324 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000411279363 283017706 /nfs/dbraw/zinc/01/77/06/283017706.db2.gz BVSSYLUELYKEES-WBAXXEDZSA-N 2 1 288.410 3.099 20 0 CGADMP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000411279363 283017708 /nfs/dbraw/zinc/01/77/08/283017708.db2.gz BVSSYLUELYKEES-WBAXXEDZSA-N 2 1 288.410 3.099 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC000261561613 291056061 /nfs/dbraw/zinc/05/60/61/291056061.db2.gz GACKSLNGLNBOMX-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271868116 191379585 /nfs/dbraw/zinc/37/95/85/191379585.db2.gz WQUPEZICDOLJMP-UHFFFAOYSA-N 2 1 270.376 3.093 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000414177575 235354994 /nfs/dbraw/zinc/35/49/94/235354994.db2.gz JVGIUNCLUYANDF-QWHCGFSZSA-N 2 1 252.427 3.131 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)oc1C ZINC000414163908 235351796 /nfs/dbraw/zinc/35/17/96/235351796.db2.gz HBIIWPCCMZNUAJ-GFCCVEGCSA-N 2 1 269.348 3.395 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414169616 235352839 /nfs/dbraw/zinc/35/28/39/235352839.db2.gz BDCAMKATJRHRSI-STQMWFEESA-N 2 1 282.378 3.347 20 0 CGADMP Cc1occc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000414291986 235380794 /nfs/dbraw/zinc/38/07/94/235380794.db2.gz USONEQAFZUISMW-ZIAGYGMSSA-N 2 1 264.413 3.046 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@H]2CCC[C@H]21 ZINC000424355769 283140750 /nfs/dbraw/zinc/14/07/50/283140750.db2.gz RKASPNXAULEVNS-OBVSXPTNSA-N 2 1 276.468 3.418 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000353478682 283179700 /nfs/dbraw/zinc/17/97/00/283179700.db2.gz FUNGSFCNHMDXBT-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000353478682 283179702 /nfs/dbraw/zinc/17/97/02/283179702.db2.gz FUNGSFCNHMDXBT-HZPDHXFCSA-N 2 1 282.472 3.046 20 0 CGADMP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC000093692686 138348482 /nfs/dbraw/zinc/34/84/82/138348482.db2.gz LHOXFUOFUGRZHV-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC000093692686 138348483 /nfs/dbraw/zinc/34/84/83/138348483.db2.gz LHOXFUOFUGRZHV-KRWDZBQOSA-N 2 1 290.451 3.249 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000110056323 138362363 /nfs/dbraw/zinc/36/23/63/138362363.db2.gz XWBSZUJZKVHEPP-IAGOWNOFSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000110056323 138362365 /nfs/dbraw/zinc/36/23/65/138362365.db2.gz XWBSZUJZKVHEPP-IAGOWNOFSA-N 2 1 288.435 3.190 20 0 CGADMP C[NH+](C)C1(CNc2cc[nH+]cc2Cl)CCCC1 ZINC000125289558 138380927 /nfs/dbraw/zinc/38/09/27/138380927.db2.gz WMBSCQCPHZUTCJ-UHFFFAOYSA-N 2 1 253.777 3.021 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000128474517 138394206 /nfs/dbraw/zinc/39/42/06/138394206.db2.gz HOULLANMBBKVTD-KRWDZBQOSA-N 2 1 278.440 3.279 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000130134514 138399148 /nfs/dbraw/zinc/39/91/48/138399148.db2.gz ROPWWZNYAFSDMY-BFHYXJOUSA-N 2 1 264.438 3.334 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000423258494 236012087 /nfs/dbraw/zinc/01/20/87/236012087.db2.gz BPBNFNZCPOPMJC-BXUZGUMPSA-N 2 1 281.469 3.318 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1F ZINC000423278022 236020018 /nfs/dbraw/zinc/02/00/18/236020018.db2.gz QJJDABOYPIBMAU-GXFFZTMASA-N 2 1 270.417 3.182 20 0 CGADMP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)c(C)c2c1 ZINC000423336548 236043567 /nfs/dbraw/zinc/04/35/67/236043567.db2.gz XTXFJGHUFJPRSI-XHDPSFHLSA-N 2 1 288.391 3.138 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc2ccccc2o1 ZINC000423366352 236051533 /nfs/dbraw/zinc/05/15/33/236051533.db2.gz CMEQHIYTDLGMGS-MBNYWOFBSA-N 2 1 258.365 3.224 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423379365 236056200 /nfs/dbraw/zinc/05/62/00/236056200.db2.gz XJPMGUBNQKAEGE-GJZGRUSLSA-N 2 1 284.403 3.263 20 0 CGADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C2CCC2)o1 ZINC000423405325 236065649 /nfs/dbraw/zinc/06/56/49/236065649.db2.gz TUCAPRROXNZVRA-HZUKXOBISA-N 2 1 262.397 3.017 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423461029 236076579 /nfs/dbraw/zinc/07/65/79/236076579.db2.gz JFWYNQRKRMJOBG-SUNYJGFJSA-N 2 1 286.394 3.435 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423502903 236088038 /nfs/dbraw/zinc/08/80/38/236088038.db2.gz FNNDHDGBTJHOGS-QZTJIDSGSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)cs1)CC[NH2+]CC2 ZINC000424369374 236157680 /nfs/dbraw/zinc/15/76/80/236157680.db2.gz BHWMNRJCRCZVSQ-LLVKDONJSA-N 2 1 284.856 3.366 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)s1 ZINC000424372214 236157914 /nfs/dbraw/zinc/15/79/14/236157914.db2.gz HOEFEKQBBCJTRS-LERXQTSPSA-N 2 1 252.427 3.285 20 0 CGADMP Cc1sccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294577081 199093233 /nfs/dbraw/zinc/09/32/33/199093233.db2.gz GTUPBLQHOJGKCQ-YIONKMFJSA-N 2 1 264.438 3.114 20 0 CGADMP Cc1sccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294577081 199093234 /nfs/dbraw/zinc/09/32/34/199093234.db2.gz GTUPBLQHOJGKCQ-YIONKMFJSA-N 2 1 264.438 3.114 20 0 CGADMP Cc1sccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294577081 199093236 /nfs/dbraw/zinc/09/32/36/199093236.db2.gz GTUPBLQHOJGKCQ-YIONKMFJSA-N 2 1 264.438 3.114 20 0 CGADMP CSc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1F ZINC000425938692 236274415 /nfs/dbraw/zinc/27/44/15/236274415.db2.gz RBLPCWPGHUBYSJ-RYUDHWBXSA-N 2 1 284.444 3.396 20 0 CGADMP COCC(C)(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000426408695 236294074 /nfs/dbraw/zinc/29/40/74/236294074.db2.gz BZXQMLYDMDNLKG-IAGOWNOFSA-N 2 1 296.499 3.245 20 0 CGADMP COCC(C)(C)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000426408695 236294077 /nfs/dbraw/zinc/29/40/77/236294077.db2.gz BZXQMLYDMDNLKG-IAGOWNOFSA-N 2 1 296.499 3.245 20 0 CGADMP COCC(C)(C)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000426408695 236294080 /nfs/dbraw/zinc/29/40/80/236294080.db2.gz BZXQMLYDMDNLKG-IAGOWNOFSA-N 2 1 296.499 3.245 20 0 CGADMP Cc1cc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)oc2cc1C ZINC000427117603 236323319 /nfs/dbraw/zinc/32/33/19/236323319.db2.gz NKXXRRIUXUZVCB-PBHICJAKSA-N 2 1 284.403 3.233 20 0 CGADMP Cc1cc2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)oc2cc1C ZINC000427117603 236323320 /nfs/dbraw/zinc/32/33/20/236323320.db2.gz NKXXRRIUXUZVCB-PBHICJAKSA-N 2 1 284.403 3.233 20 0 CGADMP Cc1cnccc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000294679964 199130898 /nfs/dbraw/zinc/13/08/98/199130898.db2.gz FCVKGCJPFLDDFW-UHFFFAOYSA-N 2 1 283.419 3.002 20 0 CGADMP Cc1cnccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000294695706 199139583 /nfs/dbraw/zinc/13/95/83/199139583.db2.gz ANVSOHDEHQRAFF-UHFFFAOYSA-N 2 1 287.451 3.134 20 0 CGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCSCC1 ZINC000474490090 299281225 /nfs/dbraw/zinc/28/12/25/299281225.db2.gz OKGPCVNRGOIVCX-AWEZNQCLSA-N 2 1 284.513 3.372 20 0 CGADMP C[C@H]([NH2+]CCCCCF)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000341906988 216146070 /nfs/dbraw/zinc/14/60/70/216146070.db2.gz VUNXXJQSNOMTHD-LSDHHAIUSA-N 2 1 270.436 3.369 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000177767638 189068241 /nfs/dbraw/zinc/06/82/41/189068241.db2.gz ZOXSVENEVMKPOJ-YJBOKZPZSA-N 2 1 298.430 3.291 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc3ccccc3c2)CC[N@H+]1C ZINC000177767638 189068242 /nfs/dbraw/zinc/06/82/42/189068242.db2.gz ZOXSVENEVMKPOJ-YJBOKZPZSA-N 2 1 298.430 3.291 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000178698446 189138028 /nfs/dbraw/zinc/13/80/28/189138028.db2.gz BLKCSEAGITUSPR-RYUDHWBXSA-N 2 1 293.361 3.457 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]21 ZINC000342113995 216221696 /nfs/dbraw/zinc/22/16/96/216221696.db2.gz WOPRLZCTHJXVEH-OWCLPIDISA-N 2 1 250.430 3.016 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]21 ZINC000342113993 216223822 /nfs/dbraw/zinc/22/38/22/216223822.db2.gz WOPRLZCTHJXVEH-HRCADAONSA-N 2 1 250.430 3.016 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179131412 189171794 /nfs/dbraw/zinc/17/17/94/189171794.db2.gz JWFZEPCEFRJNLL-GFCCVEGCSA-N 2 1 292.814 3.371 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000179505928 189198306 /nfs/dbraw/zinc/19/83/06/189198306.db2.gz GJZNPAYWZIRZRA-SZXPJGKVSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000179505928 189198307 /nfs/dbraw/zinc/19/83/07/189198307.db2.gz GJZNPAYWZIRZRA-SZXPJGKVSA-N 2 1 272.436 3.382 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000179633581 189209304 /nfs/dbraw/zinc/20/93/04/189209304.db2.gz COHGPRHRVQKCIA-QGZVFWFLSA-N 2 1 295.430 3.132 20 0 CGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000180460644 189256411 /nfs/dbraw/zinc/25/64/11/189256411.db2.gz BMPPMKCLXICGSG-GDBMZVCRSA-N 2 1 290.451 3.045 20 0 CGADMP CC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181126707 189289221 /nfs/dbraw/zinc/28/92/21/189289221.db2.gz HLBGTFWYCOPNAE-RDJZCZTQSA-N 2 1 260.425 3.239 20 0 CGADMP c1ccc(C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000119647415 370694143 /nfs/dbraw/zinc/69/41/43/370694143.db2.gz UHHMDXCPUFRQER-LJQANCHMSA-N 2 1 284.447 3.224 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCOCc2ccccc2)CC[N@@H+]1C ZINC000182438943 189323613 /nfs/dbraw/zinc/32/36/13/189323613.db2.gz QSERMIABNCWEKC-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCOCc2ccccc2)CC[N@H+]1C ZINC000182438943 189323614 /nfs/dbraw/zinc/32/36/14/189323614.db2.gz QSERMIABNCWEKC-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCOCc2ccccc2)CC[NH+]1C ZINC000182438943 189323615 /nfs/dbraw/zinc/32/36/15/189323615.db2.gz QSERMIABNCWEKC-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOCc2ccccc2)CC[NH+]1C ZINC000182438943 189323616 /nfs/dbraw/zinc/32/36/16/189323616.db2.gz QSERMIABNCWEKC-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP CC[C@H]1Cc2ccccc2C[N@@H+]1CCCn1cc[nH+]c1C ZINC000342354101 216320446 /nfs/dbraw/zinc/32/04/46/216320446.db2.gz LKTJTGWMLHCPKU-SFHVURJKSA-N 2 1 283.419 3.419 20 0 CGADMP CC[C@H]1Cc2ccccc2C[N@H+]1CCCn1cc[nH+]c1C ZINC000342354101 216320449 /nfs/dbraw/zinc/32/04/49/216320449.db2.gz LKTJTGWMLHCPKU-SFHVURJKSA-N 2 1 283.419 3.419 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182869814 189337993 /nfs/dbraw/zinc/33/79/93/189337993.db2.gz MZAMETPZWPQIQU-UHFFFAOYSA-N 2 1 278.415 3.221 20 0 CGADMP Cc1nc(NCCCC[N@H+]2CCCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000301676450 201131289 /nfs/dbraw/zinc/13/12/89/201131289.db2.gz HSPZCGWMQRWGKY-ZDUSSCGKSA-N 2 1 290.455 3.468 20 0 CGADMP Cc1nc(NCCCC[N@@H+]2CCCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000301676450 201131293 /nfs/dbraw/zinc/13/12/93/201131293.db2.gz HSPZCGWMQRWGKY-ZDUSSCGKSA-N 2 1 290.455 3.468 20 0 CGADMP COc1cccc2c(N[C@H](C)CC[NH+](C)C)cc(C)[nH+]c12 ZINC000301693298 201141653 /nfs/dbraw/zinc/14/16/53/201141653.db2.gz XPCNIBJLLNPTFO-GFCCVEGCSA-N 2 1 287.407 3.304 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000119671169 370695855 /nfs/dbraw/zinc/69/58/55/370695855.db2.gz VSWSGZCFMTVTFS-GRDNDAEWSA-N 2 1 299.418 3.256 20 0 CGADMP Cc1ccc([C@@H]([NH2+]CCC[NH+](C)C)C2CCCC2)o1 ZINC000342547468 216392716 /nfs/dbraw/zinc/39/27/16/216392716.db2.gz SZLRZLTYBZMXPJ-INIZCTEOSA-N 2 1 264.413 3.361 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335633559 212348741 /nfs/dbraw/zinc/34/87/41/212348741.db2.gz JUBNKHHPOVGRPO-IAGOWNOFSA-N 2 1 295.430 3.056 20 0 CGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450631971 240009923 /nfs/dbraw/zinc/00/99/23/240009923.db2.gz JKTCMXZXLQNWIR-KBPBESRZSA-N 2 1 297.393 3.110 20 0 CGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC000450750640 240069771 /nfs/dbraw/zinc/06/97/71/240069771.db2.gz BEYBZVSLFKZIFI-FUHWJXTLSA-N 2 1 294.483 3.213 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275356200 193008737 /nfs/dbraw/zinc/00/87/37/193008737.db2.gz AMAVTJIDWOVFQY-CABCVRRESA-N 2 1 261.413 3.170 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000120793563 370800503 /nfs/dbraw/zinc/80/05/03/370800503.db2.gz QYDGENSYMDLPPO-OAHLLOKOSA-N 2 1 284.403 3.378 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000120793563 370800506 /nfs/dbraw/zinc/80/05/06/370800506.db2.gz QYDGENSYMDLPPO-OAHLLOKOSA-N 2 1 284.403 3.378 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000275472847 193051901 /nfs/dbraw/zinc/05/19/01/193051901.db2.gz HWIRGUZHUOJXQS-CHWSQXEVSA-N 2 1 289.810 3.450 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000275638562 193093412 /nfs/dbraw/zinc/09/34/12/193093412.db2.gz RPXNXJCWCIYJNI-UHFFFAOYSA-N 2 1 281.762 3.164 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000275707391 193109700 /nfs/dbraw/zinc/10/97/00/193109700.db2.gz KKOFJZAHWXQPGU-KBRIMQKVSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000275707391 193109701 /nfs/dbraw/zinc/10/97/01/193109701.db2.gz KKOFJZAHWXQPGU-KBRIMQKVSA-N 2 1 276.399 3.146 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)c(F)c(F)c1)CC[NH2+]CC2 ZINC000335542374 212241213 /nfs/dbraw/zinc/24/12/13/212241213.db2.gz BWPJMOQFRIUYTH-LLVKDONJSA-N 2 1 298.352 3.068 20 0 CGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459797947 242239577 /nfs/dbraw/zinc/23/95/77/242239577.db2.gz XGSSEOPUYZAOHP-WBVHZDCISA-N 2 1 292.442 3.468 20 0 CGADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C[NH+](C)C ZINC000459741885 242205196 /nfs/dbraw/zinc/20/51/96/242205196.db2.gz CCSROKJKPQQZEF-ROUUACIJSA-N 2 1 287.451 3.095 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459782588 242229280 /nfs/dbraw/zinc/22/92/80/242229280.db2.gz MRJGYQOPWHWVFA-WMZOPIPTSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121490204 370866019 /nfs/dbraw/zinc/86/60/19/370866019.db2.gz HDRRQFZTTIJZQV-MAUKXSAKSA-N 2 1 285.435 3.439 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1(C)CC1 ZINC000480699600 243161421 /nfs/dbraw/zinc/16/14/21/243161421.db2.gz QDFNXLNCNXGXFD-UKRRQHHQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1Cl ZINC000423390193 299388375 /nfs/dbraw/zinc/38/83/75/299388375.db2.gz JVKKOPUIKGETFK-ISTVAULSSA-N 2 1 270.779 3.128 20 0 CGADMP CCOc1ccc(C[NH2+]CCC[NH+](CC)CC)cc1F ZINC000486928773 243378827 /nfs/dbraw/zinc/37/88/27/243378827.db2.gz OHFSDCLVXFUFMH-UHFFFAOYSA-N 2 1 282.403 3.046 20 0 CGADMP COc1cccc2cc([C@H](C)[NH2+]CCC[NH+](C)C)oc21 ZINC000020091917 368800463 /nfs/dbraw/zinc/80/04/63/368800463.db2.gz PJPOLJAIMQUNSG-LBPRGKRZSA-N 2 1 276.380 3.044 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000036996879 369048533 /nfs/dbraw/zinc/04/85/33/369048533.db2.gz HJDCDKXKPCABKR-APHBMKBZSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000036996879 369048536 /nfs/dbraw/zinc/04/85/36/369048536.db2.gz HJDCDKXKPCABKR-APHBMKBZSA-N 2 1 262.372 3.103 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140974 369067888 /nfs/dbraw/zinc/06/78/88/369067888.db2.gz INFCHFGMQJWTPR-HNNXBMFYSA-N 2 1 272.436 3.224 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000037644090 369093447 /nfs/dbraw/zinc/09/34/47/369093447.db2.gz SPXDLOAFZLMJSD-DOTOQJQBSA-N 2 1 260.425 3.378 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000037979301 369131271 /nfs/dbraw/zinc/13/12/71/369131271.db2.gz OJBXUUZKQIYHMI-GOSISDBHSA-N 2 1 288.435 3.220 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)s1 ZINC000038001796 369138255 /nfs/dbraw/zinc/13/82/55/369138255.db2.gz ZNNSZHYVKUHXSR-SECBINFHSA-N 2 1 291.258 3.113 20 0 CGADMP c1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075699 369172013 /nfs/dbraw/zinc/17/20/13/369172013.db2.gz YUJMSLGHZLJJHT-KBXCAEBGSA-N 2 1 270.420 3.212 20 0 CGADMP CC(C)Oc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000040640097 369160923 /nfs/dbraw/zinc/16/09/23/369160923.db2.gz YZIOQIZSTCERTP-UHFFFAOYSA-N 2 1 290.451 3.439 20 0 CGADMP [NH3+]C[C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000044531800 369264280 /nfs/dbraw/zinc/26/42/80/369264280.db2.gz UKRBDQBRODLSKN-LLVKDONJSA-N 2 1 275.783 3.063 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)o1 ZINC000044729593 369269357 /nfs/dbraw/zinc/26/93/57/369269357.db2.gz RNOLJSCSZQICPY-JZIBPQBNSA-N 2 1 262.397 3.172 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)o1 ZINC000044729593 369269363 /nfs/dbraw/zinc/26/93/63/369269363.db2.gz RNOLJSCSZQICPY-JZIBPQBNSA-N 2 1 262.397 3.172 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]1C ZINC000495084777 244355660 /nfs/dbraw/zinc/35/56/60/244355660.db2.gz NCNGGHOKQNJONY-NEPXVJNWSA-N 2 1 286.463 3.185 20 0 CGADMP C[NH2+][C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000053204727 369480554 /nfs/dbraw/zinc/48/05/54/369480554.db2.gz FFERLFKLVGWRNV-LBPRGKRZSA-N 2 1 275.783 3.076 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)C1CCCC1)[NH+]1CCCC1 ZINC000054077896 369492772 /nfs/dbraw/zinc/49/27/72/369492772.db2.gz GWYQTEUBDIUKLR-GDBMZVCRSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000219150128 376196991 /nfs/dbraw/zinc/19/69/91/376196991.db2.gz NDNFQTFKKFIDMU-CQSZACIVSA-N 2 1 294.439 3.085 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000219150128 376196995 /nfs/dbraw/zinc/19/69/95/376196995.db2.gz NDNFQTFKKFIDMU-CQSZACIVSA-N 2 1 294.439 3.085 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000336426147 213284917 /nfs/dbraw/zinc/28/49/17/213284917.db2.gz RQNXZVJCGAWSCQ-SAZUREKKSA-N 2 1 278.827 3.270 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)s1 ZINC000069754391 369770758 /nfs/dbraw/zinc/77/07/58/369770758.db2.gz TUQRHJVMOYIJFI-UHFFFAOYSA-N 2 1 269.801 3.086 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000070074634 369779059 /nfs/dbraw/zinc/77/90/59/369779059.db2.gz LMSYAOVLURZTNB-AAEUAGOBSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000070074634 369779060 /nfs/dbraw/zinc/77/90/60/369779060.db2.gz LMSYAOVLURZTNB-AAEUAGOBSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000070074553 369779715 /nfs/dbraw/zinc/77/97/15/369779715.db2.gz UWQCGAOSAQFTNV-VXGBXAGGSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000070074553 369779719 /nfs/dbraw/zinc/77/97/19/369779719.db2.gz UWQCGAOSAQFTNV-VXGBXAGGSA-N 2 1 297.240 3.008 20 0 CGADMP CC(C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110052 369930872 /nfs/dbraw/zinc/93/08/72/369930872.db2.gz YCEQXVCSYXWZTR-KRWDZBQOSA-N 2 1 260.425 3.096 20 0 CGADMP CC(C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110052 369930873 /nfs/dbraw/zinc/93/08/73/369930873.db2.gz YCEQXVCSYXWZTR-KRWDZBQOSA-N 2 1 260.425 3.096 20 0 CGADMP CC(C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110052 369930876 /nfs/dbraw/zinc/93/08/76/369930876.db2.gz YCEQXVCSYXWZTR-KRWDZBQOSA-N 2 1 260.425 3.096 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1C1CCCC1 ZINC000089425862 370041847 /nfs/dbraw/zinc/04/18/47/370041847.db2.gz KIJSVCYLNVOETE-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000089425862 370041853 /nfs/dbraw/zinc/04/18/53/370041853.db2.gz KIJSVCYLNVOETE-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000089425862 370041860 /nfs/dbraw/zinc/04/18/60/370041860.db2.gz KIJSVCYLNVOETE-JKSUJKDBSA-N 2 1 250.430 3.125 20 0 CGADMP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093089018 370107989 /nfs/dbraw/zinc/10/79/89/370107989.db2.gz LFHMEIXUWWGGKU-BBRMVZONSA-N 2 1 276.424 3.177 20 0 CGADMP CCCOc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093089122 370108972 /nfs/dbraw/zinc/10/89/72/370108972.db2.gz OQNCORIBCYPVPV-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP COc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564057 370143465 /nfs/dbraw/zinc/14/34/65/370143465.db2.gz ADRNOZALMKRMCN-QGZVFWFLSA-N 2 1 288.435 3.146 20 0 CGADMP COc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564057 370143467 /nfs/dbraw/zinc/14/34/67/370143467.db2.gz ADRNOZALMKRMCN-QGZVFWFLSA-N 2 1 288.435 3.146 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000093742061 370155513 /nfs/dbraw/zinc/15/55/13/370155513.db2.gz QETQWPADMNHUOA-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000093742061 370155516 /nfs/dbraw/zinc/15/55/16/370155516.db2.gz QETQWPADMNHUOA-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000093742061 370155521 /nfs/dbraw/zinc/15/55/21/370155521.db2.gz QETQWPADMNHUOA-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000093742061 370155526 /nfs/dbraw/zinc/15/55/26/370155526.db2.gz QETQWPADMNHUOA-AWEZNQCLSA-N 2 1 266.454 3.220 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868745 370354173 /nfs/dbraw/zinc/35/41/73/370354173.db2.gz TZOKYDGITYHREL-ZIAGYGMSSA-N 2 1 298.352 3.422 20 0 CGADMP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868745 370354178 /nfs/dbraw/zinc/35/41/78/370354178.db2.gz TZOKYDGITYHREL-ZIAGYGMSSA-N 2 1 298.352 3.422 20 0 CGADMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000511972445 245014849 /nfs/dbraw/zinc/01/48/49/245014849.db2.gz KMHKECMTDBWBAD-INIZCTEOSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000511972445 245014856 /nfs/dbraw/zinc/01/48/56/245014856.db2.gz KMHKECMTDBWBAD-INIZCTEOSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000511972445 245014858 /nfs/dbraw/zinc/01/48/58/245014858.db2.gz KMHKECMTDBWBAD-INIZCTEOSA-N 2 1 274.452 3.486 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCn2ccc3ccccc32)CC[N@H+]1C ZINC000129636352 370996688 /nfs/dbraw/zinc/99/66/88/370996688.db2.gz SJSXFXDNGBKKHI-NVXWUHKLSA-N 2 1 285.435 3.104 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000130265851 371021539 /nfs/dbraw/zinc/02/15/39/371021539.db2.gz WLXAEYKGBRTJOA-MLGOLLRUSA-N 2 1 278.827 3.259 20 0 CGADMP Cc1cccc(NCc2ccc(OCCC[NH+](C)C)cc2)[nH+]1 ZINC000131184394 371088455 /nfs/dbraw/zinc/08/84/55/371088455.db2.gz DUSJANODULOHGK-UHFFFAOYSA-N 2 1 299.418 3.333 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000132550425 371183475 /nfs/dbraw/zinc/18/34/75/371183475.db2.gz YBJFFHDGCPRIIO-XYJFISCASA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000132550425 371183478 /nfs/dbraw/zinc/18/34/78/371183478.db2.gz YBJFFHDGCPRIIO-XYJFISCASA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132550425 371183481 /nfs/dbraw/zinc/18/34/81/371183481.db2.gz YBJFFHDGCPRIIO-XYJFISCASA-N 2 1 274.452 3.280 20 0 CGADMP C[C@@H](Cc1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132550425 371183486 /nfs/dbraw/zinc/18/34/86/371183486.db2.gz YBJFFHDGCPRIIO-XYJFISCASA-N 2 1 274.452 3.280 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136324648 371473208 /nfs/dbraw/zinc/47/32/08/371473208.db2.gz GUTVJCYDXACCLH-LSDHHAIUSA-N 2 1 278.440 3.033 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344029877 217017732 /nfs/dbraw/zinc/01/77/32/217017732.db2.gz CPOCRGWIMUXUPN-DYVFJYSZSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000421828995 371651277 /nfs/dbraw/zinc/65/12/77/371651277.db2.gz GJIKFEIGHHOZKL-JMSVASOKSA-N 2 1 298.833 3.482 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000421828995 371651282 /nfs/dbraw/zinc/65/12/82/371651282.db2.gz GJIKFEIGHHOZKL-JMSVASOKSA-N 2 1 298.833 3.482 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422716067 371766088 /nfs/dbraw/zinc/76/60/88/371766088.db2.gz TYWZNXDEZDVMOO-CZUORRHYSA-N 2 1 278.415 3.224 20 0 CGADMP CC(C)(C)c1csc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000422732707 371773224 /nfs/dbraw/zinc/77/32/24/371773224.db2.gz AIGGRRFSUZXNQP-VXGBXAGGSA-N 2 1 281.469 3.048 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(F)cc1 ZINC000422738527 371776794 /nfs/dbraw/zinc/77/67/94/371776794.db2.gz JQGZRXJPHNFAGW-RYUDHWBXSA-N 2 1 273.355 3.088 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCC1(F)F ZINC000289653368 371784185 /nfs/dbraw/zinc/78/41/85/371784185.db2.gz DXLIYOUQFJDAHA-CYBMUJFWSA-N 2 1 291.345 3.349 20 0 CGADMP Fc1cccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422778866 371801115 /nfs/dbraw/zinc/80/11/15/371801115.db2.gz FEVDDZYWGVBVGM-RBUKOAKNSA-N 2 1 298.405 3.451 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1c[nH+]ccc1N ZINC000422787650 371808866 /nfs/dbraw/zinc/80/88/66/371808866.db2.gz UTCOXZNMQYSNKM-NWDGAFQWSA-N 2 1 275.421 3.085 20 0 CGADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1F ZINC000422794015 371813015 /nfs/dbraw/zinc/81/30/15/371813015.db2.gz GDFAYDMPOFPRIN-KBXCAEBGSA-N 2 1 286.394 3.182 20 0 CGADMP CC[C@H]([NH2+]Cc1ccc2cc(OC)ccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422799434 371815418 /nfs/dbraw/zinc/81/54/18/371815418.db2.gz WRQSSCDFNOOAOO-OALUTQOASA-N 2 1 298.430 3.469 20 0 CGADMP Cc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1F ZINC000422797342 371816859 /nfs/dbraw/zinc/81/68/59/371816859.db2.gz MEAUOYXHVOYEEA-KBXCAEBGSA-N 2 1 286.394 3.182 20 0 CGADMP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(OCCC(C)C)c1 ZINC000422863069 371845305 /nfs/dbraw/zinc/84/53/05/371845305.db2.gz LAVCRFHFQWTMRT-OAHLLOKOSA-N 2 1 290.451 3.117 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867343 371845397 /nfs/dbraw/zinc/84/53/97/371845397.db2.gz RYIAMIOMVKVFOV-QZTJIDSGSA-N 2 1 282.387 3.448 20 0 CGADMP CCCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422881274 371852018 /nfs/dbraw/zinc/85/20/18/371852018.db2.gz YPIPCCSDLCYIJA-SJPCQFCGSA-N 2 1 288.435 3.156 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3sccc3c2)CC[N@H+]1C ZINC000289947482 371859540 /nfs/dbraw/zinc/85/95/40/371859540.db2.gz WFOLLLABHHVTIQ-SWLSCSKDSA-N 2 1 274.433 3.474 20 0 CGADMP CC(C)Oc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000154689464 371867437 /nfs/dbraw/zinc/86/74/37/371867437.db2.gz MQQREQYORWUQEH-UHFFFAOYSA-N 2 1 290.451 3.247 20 0 CGADMP c1csc(C([NH2+]C2CC[NH2+]CC2)c2cccs2)c1 ZINC000422927415 371875709 /nfs/dbraw/zinc/87/57/09/371875709.db2.gz YSQOVFLRFMTNTO-UHFFFAOYSA-N 2 1 278.446 3.241 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422858060 371842842 /nfs/dbraw/zinc/84/28/42/371842842.db2.gz ZMRQDSCATAMGJA-KGLIPLIRSA-N 2 1 269.392 3.339 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423052390 371935497 /nfs/dbraw/zinc/93/54/97/371935497.db2.gz QLXIQBCANKKJOG-JCKWVBRZSA-N 2 1 297.402 3.065 20 0 CGADMP CC[C@H]([NH2+]C[C@@H](Nc1ccccc1)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422982588 371900846 /nfs/dbraw/zinc/90/08/46/371900846.db2.gz WZHDEUJUMMFDPA-OKZBNKHCSA-N 2 1 289.467 3.243 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000422981397 371901885 /nfs/dbraw/zinc/90/18/85/371901885.db2.gz SOPHDQUSBRPKJY-KBAYOESNSA-N 2 1 289.467 3.243 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423008450 371912900 /nfs/dbraw/zinc/91/29/00/371912900.db2.gz AIQMWFGCBPNYBX-LRDDRELGSA-N 2 1 294.389 3.117 20 0 CGADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423008452 371912938 /nfs/dbraw/zinc/91/29/38/371912938.db2.gz AIQMWFGCBPNYBX-WBMJQRKESA-N 2 1 294.389 3.117 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000423067747 371945229 /nfs/dbraw/zinc/94/52/29/371945229.db2.gz IHDLKBITMWBUJK-LSDHHAIUSA-N 2 1 296.842 3.488 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000290163847 371918317 /nfs/dbraw/zinc/91/83/17/371918317.db2.gz DKKFKXVOSDNKRQ-DYVFJYSZSA-N 2 1 256.393 3.086 20 0 CGADMP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423040881 371928399 /nfs/dbraw/zinc/92/83/99/371928399.db2.gz VFBVVIKQDWRURK-WQAKAFBOSA-N 2 1 272.314 3.452 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423096590 371961385 /nfs/dbraw/zinc/96/13/85/371961385.db2.gz PNBBLDKNYWVOAB-CUBALJKWSA-N 2 1 278.827 3.174 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000290373805 371974089 /nfs/dbraw/zinc/97/40/89/371974089.db2.gz HQAQVDBAWKSKSM-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000290373805 371974096 /nfs/dbraw/zinc/97/40/96/371974096.db2.gz HQAQVDBAWKSKSM-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC000290373805 371974106 /nfs/dbraw/zinc/97/41/06/371974106.db2.gz HQAQVDBAWKSKSM-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1C ZINC000290373805 371974109 /nfs/dbraw/zinc/97/41/09/371974109.db2.gz HQAQVDBAWKSKSM-DOTOQJQBSA-N 2 1 260.425 3.075 20 0 CGADMP C[C@@H]([NH2+]CCc1cc2ccccc2s1)[C@@H]1CCC[NH2+]1 ZINC000423126575 371979191 /nfs/dbraw/zinc/97/91/91/371979191.db2.gz BAAXLTBTJHANRM-DOMZBBRYSA-N 2 1 274.433 3.174 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)c1ncccc1C)[C@@H]1CCCC[NH2+]1 ZINC000423143225 371988595 /nfs/dbraw/zinc/98/85/95/371988595.db2.gz WNGWXSYTQCBEEQ-CVEARBPZSA-N 2 1 289.467 3.178 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000423166680 371999649 /nfs/dbraw/zinc/99/96/49/371999649.db2.gz VTAVWAMRDMXOMI-IIVZCXTMSA-N 2 1 288.435 3.061 20 0 CGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423073063 371947172 /nfs/dbraw/zinc/94/71/72/371947172.db2.gz KKSOAQSSMNXYFD-DDBAPUKQSA-N 2 1 272.436 3.300 20 0 CGADMP CCOc1cccc2cc([C@H](C)[NH2+]CCC[NH2+]C)oc21 ZINC000423199377 372023407 /nfs/dbraw/zinc/02/34/07/372023407.db2.gz JYPWBMNWZFJWLU-LBPRGKRZSA-N 2 1 276.380 3.092 20 0 CGADMP C[C@H](C1CC1)[NH+](C)CCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000157644843 372031204 /nfs/dbraw/zinc/03/12/04/372031204.db2.gz WGIYSOUORZYYOU-OKILXGFUSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H](C1CC1)[N@@H+](C)CCCC[NH+](C)[C@@H](C)C1CC1 ZINC000157644843 372031209 /nfs/dbraw/zinc/03/12/09/372031209.db2.gz WGIYSOUORZYYOU-OKILXGFUSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H](C1CC1)[N@H+](C)CCCC[NH+](C)[C@@H](C)C1CC1 ZINC000157644843 372031213 /nfs/dbraw/zinc/03/12/13/372031213.db2.gz WGIYSOUORZYYOU-OKILXGFUSA-N 2 1 252.446 3.227 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCC12CCCC2)C1CCCCC1 ZINC000423260896 372043370 /nfs/dbraw/zinc/04/33/70/372043370.db2.gz IQRPWISNNVMWED-GJZGRUSLSA-N 2 1 250.430 3.206 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423262190 372043775 /nfs/dbraw/zinc/04/37/75/372043775.db2.gz LYSWCYKTVGPVQT-DZGCQCFKSA-N 2 1 266.816 3.290 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423374432 372055567 /nfs/dbraw/zinc/05/55/67/372055567.db2.gz SVOMOGHQEFQIID-YSLLHCQFSA-N 2 1 294.389 3.189 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423179002 372008654 /nfs/dbraw/zinc/00/86/54/372008654.db2.gz CQLWAJQRMJKRRC-WISYIIOYSA-N 2 1 284.856 3.235 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423181370 372009361 /nfs/dbraw/zinc/00/93/61/372009361.db2.gz PBAJBPRUVJRDHA-AWEZNQCLSA-N 2 1 276.424 3.316 20 0 CGADMP CCC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccn1 ZINC000423185024 372013096 /nfs/dbraw/zinc/01/30/96/372013096.db2.gz UNCKWBOPPPBINP-AWEZNQCLSA-N 2 1 261.413 3.174 20 0 CGADMP COc1ccccc1[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1CCCC1 ZINC000423437137 372063528 /nfs/dbraw/zinc/06/35/28/372063528.db2.gz GCVRXSXHPHWWKE-IIYDPXPESA-N 2 1 276.424 3.252 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000424370504 372085330 /nfs/dbraw/zinc/08/53/30/372085330.db2.gz DKFOUYGBCRSTMT-RBSFLKMASA-N 2 1 264.800 3.187 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292871230 372233354 /nfs/dbraw/zinc/23/33/54/372233354.db2.gz WMYNXMKRAKAMGT-CRAIPNDOSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292871230 372233359 /nfs/dbraw/zinc/23/33/59/372233359.db2.gz WMYNXMKRAKAMGT-CRAIPNDOSA-N 2 1 290.426 3.174 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292871230 372233362 /nfs/dbraw/zinc/23/33/62/372233362.db2.gz WMYNXMKRAKAMGT-CRAIPNDOSA-N 2 1 290.426 3.174 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017178 372306022 /nfs/dbraw/zinc/30/60/22/372306022.db2.gz DTLAWBRJOGWURC-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017178 372306029 /nfs/dbraw/zinc/30/60/29/372306029.db2.gz DTLAWBRJOGWURC-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000429017178 372306034 /nfs/dbraw/zinc/30/60/34/372306034.db2.gz DTLAWBRJOGWURC-QZTJIDSGSA-N 2 1 288.410 3.231 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000429039255 372307550 /nfs/dbraw/zinc/30/75/50/372307550.db2.gz HNCFYHYEFOSZPT-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000429039255 372307553 /nfs/dbraw/zinc/30/75/53/372307553.db2.gz HNCFYHYEFOSZPT-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000429039255 372307556 /nfs/dbraw/zinc/30/75/56/372307556.db2.gz HNCFYHYEFOSZPT-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000161518547 372330498 /nfs/dbraw/zinc/33/04/98/372330498.db2.gz OBKCXBTXSXKZMK-SFHVURJKSA-N 2 1 274.452 3.246 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1(CC)CC ZINC000429348689 372353745 /nfs/dbraw/zinc/35/37/45/372353745.db2.gz KWCLDBXYUVPDAW-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000430709086 372392604 /nfs/dbraw/zinc/39/26/04/372392604.db2.gz MBNVKTFREKKFNQ-XWTMOSNGSA-N 2 1 296.499 3.028 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000344345533 217161305 /nfs/dbraw/zinc/16/13/05/217161305.db2.gz FAQPWTAPRYVHNP-ZBFHGGJFSA-N 2 1 250.430 3.054 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cccs1 ZINC000162687386 372410125 /nfs/dbraw/zinc/41/01/25/372410125.db2.gz JFLFGCPVNLMBEG-ZIAGYGMSSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000162687386 372410130 /nfs/dbraw/zinc/41/01/30/372410130.db2.gz JFLFGCPVNLMBEG-ZIAGYGMSSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000162687386 372410135 /nfs/dbraw/zinc/41/01/35/372410135.db2.gz JFLFGCPVNLMBEG-ZIAGYGMSSA-N 2 1 264.438 3.369 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CCCC3)[C@@H](C)C1 ZINC000429422046 372364806 /nfs/dbraw/zinc/36/48/06/372364806.db2.gz YJBBPKVBMYTEOD-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@@H+](CCCC1CCCC1)C1CC[NH2+]CC1 ZINC000431081848 372425966 /nfs/dbraw/zinc/42/59/66/372425966.db2.gz GSTXOLQDVMDKLY-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000163189568 372450930 /nfs/dbraw/zinc/45/09/30/372450930.db2.gz URUBGKJTFUYNEN-DYVFJYSZSA-N 2 1 254.377 3.009 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000163236592 372456325 /nfs/dbraw/zinc/45/63/25/372456325.db2.gz VNCWDFLDILZKSW-DOTOQJQBSA-N 2 1 288.435 3.140 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)CC[N@H+]1C ZINC000293723953 372461164 /nfs/dbraw/zinc/46/11/64/372461164.db2.gz NVLMVYOGPCPUQA-IUODEOHRSA-N 2 1 282.378 3.371 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000163648082 372484161 /nfs/dbraw/zinc/48/41/61/372484161.db2.gz CRGOEJHNQCGYTR-RISCZKNCSA-N 2 1 268.351 3.054 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000164585452 372523368 /nfs/dbraw/zinc/52/33/68/372523368.db2.gz NFMKNRUOYSJJDJ-KRWDZBQOSA-N 2 1 287.382 3.388 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432450886 372566880 /nfs/dbraw/zinc/56/68/80/372566880.db2.gz YPPCUVVNYWICQG-GVDBMIGSSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432450886 372566883 /nfs/dbraw/zinc/56/68/83/372566883.db2.gz YPPCUVVNYWICQG-GVDBMIGSSA-N 2 1 284.488 3.292 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c21 ZINC000165240443 372546121 /nfs/dbraw/zinc/54/61/21/372546121.db2.gz OYDJKCODPLSXJE-HDMKZQKVSA-N 2 1 299.462 3.337 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000434772958 372708410 /nfs/dbraw/zinc/70/84/10/372708410.db2.gz HBPHYYWFAXUBTR-CVEARBPZSA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC000353417644 220072098 /nfs/dbraw/zinc/07/20/98/220072098.db2.gz VLRQADDTGNAAGJ-UHFFFAOYSA-N 2 1 296.842 3.122 20 0 CGADMP CCCc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000435377990 372753333 /nfs/dbraw/zinc/75/33/33/372753333.db2.gz BSSJJGPWADGZOP-JWTNVVGKSA-N 2 1 272.436 3.354 20 0 CGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435432488 372762990 /nfs/dbraw/zinc/76/29/90/372762990.db2.gz NKVCVGILAMJPJD-JZIMQPMSSA-N 2 1 280.362 3.052 20 0 CGADMP CC[N@@H+](Cc1ccccc1OC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435626737 372786431 /nfs/dbraw/zinc/78/64/31/372786431.db2.gz PEHXDQZXCMLREF-QGZVFWFLSA-N 2 1 290.451 3.438 20 0 CGADMP C(C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000438209755 372911870 /nfs/dbraw/zinc/91/18/70/372911870.db2.gz SVULVLQVTAYYBA-MSOLQXFVSA-N 2 1 294.483 3.047 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H]2CCC[C@H]21 ZINC000353503365 220123606 /nfs/dbraw/zinc/12/36/06/220123606.db2.gz ORYDMYPUERHCNI-YTQUADARSA-N 2 1 295.430 3.197 20 0 CGADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172289663 372936092 /nfs/dbraw/zinc/93/60/92/372936092.db2.gz PIRWORZSFDFWSV-UHFFFAOYSA-N 2 1 272.436 3.138 20 0 CGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000296112188 373025471 /nfs/dbraw/zinc/02/54/71/373025471.db2.gz XWLCQECXQOSSAE-ROUUACIJSA-N 2 1 287.451 3.135 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000442797282 373086088 /nfs/dbraw/zinc/08/60/88/373086088.db2.gz WNUWEDBNSLBGJW-JKSUJKDBSA-N 2 1 298.430 3.278 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000442931181 373127258 /nfs/dbraw/zinc/12/72/58/373127258.db2.gz VJYXTVLQFYDAKV-INIZCTEOSA-N 2 1 295.430 3.309 20 0 CGADMP CCCc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442921801 373128605 /nfs/dbraw/zinc/12/86/05/373128605.db2.gz JWQBDMYIJZIBHA-MRXNPFEDSA-N 2 1 260.425 3.200 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccccc2C)C1 ZINC000173902432 373213276 /nfs/dbraw/zinc/21/32/76/373213276.db2.gz XLXDDCDURDPJLM-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC000173902432 373213283 /nfs/dbraw/zinc/21/32/83/373213283.db2.gz XLXDDCDURDPJLM-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000173902432 373213288 /nfs/dbraw/zinc/21/32/88/373213288.db2.gz XLXDDCDURDPJLM-KRWDZBQOSA-N 2 1 290.451 3.038 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000444675381 373229208 /nfs/dbraw/zinc/22/92/08/373229208.db2.gz LZGXHRQJGBECRR-BZUAXINKSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000444675381 373229210 /nfs/dbraw/zinc/22/92/10/373229210.db2.gz LZGXHRQJGBECRR-BZUAXINKSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000444675381 373229217 /nfs/dbraw/zinc/22/92/17/373229217.db2.gz LZGXHRQJGBECRR-BZUAXINKSA-N 2 1 252.446 3.371 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000174350746 373297462 /nfs/dbraw/zinc/29/74/62/373297462.db2.gz WODFVNPSQNEGMY-KBMXLJTQSA-N 2 1 263.429 3.386 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC1=Cc3ccccc3OC1)C2 ZINC000174600668 373342861 /nfs/dbraw/zinc/34/28/61/373342861.db2.gz XRRQVPVTKLDHLZ-AYHJJNSGSA-N 2 1 298.430 3.067 20 0 CGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC000446940265 373384876 /nfs/dbraw/zinc/38/48/76/373384876.db2.gz DSQWCRZUFVRKHA-WMZOPIPTSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353622909 220199528 /nfs/dbraw/zinc/19/95/28/220199528.db2.gz PNDVMPZPOXAJPN-OAGGEKHMSA-N 2 1 284.513 3.228 20 0 CGADMP Cc1[nH+]ccn1CCN(Cc1ccco1)Cc1ccco1 ZINC000299046471 373451465 /nfs/dbraw/zinc/45/14/65/373451465.db2.gz OSVNJILLGNPQAP-UHFFFAOYSA-N 2 1 285.347 3.080 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724168 373476173 /nfs/dbraw/zinc/47/61/73/373476173.db2.gz UIQIHGDWKZYYTG-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724168 373476185 /nfs/dbraw/zinc/47/61/85/373476185.db2.gz UIQIHGDWKZYYTG-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724168 373476189 /nfs/dbraw/zinc/47/61/89/373476189.db2.gz UIQIHGDWKZYYTG-RDJZCZTQSA-N 2 1 290.451 3.308 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000175717418 373508186 /nfs/dbraw/zinc/50/81/86/373508186.db2.gz OTUURHSRFDEJTH-ZDUSSCGKSA-N 2 1 280.375 3.360 20 0 CGADMP C[NH+](C)[C@H](C[NH2+]C1CC2(CCC2)C1)C1CCCCC1 ZINC000448058686 373543526 /nfs/dbraw/zinc/54/35/26/373543526.db2.gz QZKFMFOVNKWUGK-MRXNPFEDSA-N 2 1 264.457 3.419 20 0 CGADMP CCc1ccc([C@@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000301066656 373646118 /nfs/dbraw/zinc/64/61/18/373646118.db2.gz GYRVZIUNVCGAIZ-QGZVFWFLSA-N 2 1 298.434 3.371 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cc2)[C@H](C)C1 ZINC000177849422 373717507 /nfs/dbraw/zinc/71/75/07/373717507.db2.gz ZXXVDECGKNBSMX-CZUORRHYSA-N 2 1 296.842 3.039 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000449441886 373717944 /nfs/dbraw/zinc/71/79/44/373717944.db2.gz UTKQIRJHWSHZIR-UTRMSSBJSA-N 2 1 284.447 3.285 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000177946999 373726970 /nfs/dbraw/zinc/72/69/70/373726970.db2.gz RDAXFRGEFMNRGW-SJLPKXTDSA-N 2 1 290.451 3.002 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCC1 ZINC000178112098 373745422 /nfs/dbraw/zinc/74/54/22/373745422.db2.gz MBOAHJCAFUSOKP-XJKSGUPXSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCC1 ZINC000178112098 373745429 /nfs/dbraw/zinc/74/54/29/373745429.db2.gz MBOAHJCAFUSOKP-XJKSGUPXSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000178704605 373806253 /nfs/dbraw/zinc/80/62/53/373806253.db2.gz XORICYRDSASNNN-JQFCIGGWSA-N 2 1 275.440 3.386 20 0 CGADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000353668473 220239811 /nfs/dbraw/zinc/23/98/11/220239811.db2.gz GINLGYHRAQNZHH-FAAHXZRKSA-N 2 1 293.480 3.017 20 0 CGADMP c1ccc(SC[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178976116 373822231 /nfs/dbraw/zinc/82/22/31/373822231.db2.gz QVWMRCSLDIDZDT-INIZCTEOSA-N 2 1 290.476 3.100 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000179561697 373888791 /nfs/dbraw/zinc/88/87/91/373888791.db2.gz OZYVKTMQOZFZBM-SRCQZFHVSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000179561697 373888795 /nfs/dbraw/zinc/88/87/95/373888795.db2.gz OZYVKTMQOZFZBM-SRCQZFHVSA-N 2 1 276.399 3.275 20 0 CGADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000449777559 373907140 /nfs/dbraw/zinc/90/71/40/373907140.db2.gz VKEHSOLNLOJAQA-IAGOWNOFSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000353668475 220240225 /nfs/dbraw/zinc/24/02/25/220240225.db2.gz GINLGYHRAQNZHH-NMFUWQPSSA-N 2 1 293.480 3.017 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2=CCCCC2)CC1 ZINC000450340884 374070123 /nfs/dbraw/zinc/07/01/23/374070123.db2.gz XRDFJJPGVYEIRC-UHFFFAOYSA-N 2 1 250.430 3.291 20 0 CGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCCCC1(F)F ZINC000450430500 374123241 /nfs/dbraw/zinc/12/32/41/374123241.db2.gz SELKPGHPLPQVIB-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CCCCC1(F)F ZINC000450430500 374123248 /nfs/dbraw/zinc/12/32/48/374123248.db2.gz SELKPGHPLPQVIB-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CCCCC1(F)F ZINC000450430500 374123252 /nfs/dbraw/zinc/12/32/52/374123252.db2.gz SELKPGHPLPQVIB-ZIAGYGMSSA-N 2 1 274.399 3.086 20 0 CGADMP CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000450384925 374095212 /nfs/dbraw/zinc/09/52/12/374095212.db2.gz BSICAFCPWFLMON-KBXCAEBGSA-N 2 1 285.435 3.097 20 0 CGADMP COCc1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000309789568 374196429 /nfs/dbraw/zinc/19/64/29/374196429.db2.gz GQVOBFVNUSLYQE-UHFFFAOYSA-N 2 1 298.430 3.184 20 0 CGADMP CC[C@H](C)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973542 374203799 /nfs/dbraw/zinc/20/37/99/374203799.db2.gz PIXBVWSCSMYOLI-QXAKKESOSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973542 374203806 /nfs/dbraw/zinc/20/38/06/374203806.db2.gz PIXBVWSCSMYOLI-QXAKKESOSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973542 374203812 /nfs/dbraw/zinc/20/38/12/374203812.db2.gz PIXBVWSCSMYOLI-QXAKKESOSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309972785 374204090 /nfs/dbraw/zinc/20/40/90/374204090.db2.gz OQAGZGYIFGWPIA-SZMVWBNQSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309972785 374204096 /nfs/dbraw/zinc/20/40/96/374204096.db2.gz OQAGZGYIFGWPIA-SZMVWBNQSA-N 2 1 272.436 3.239 20 0 CGADMP CC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309972785 374204101 /nfs/dbraw/zinc/20/41/01/374204101.db2.gz OQAGZGYIFGWPIA-SZMVWBNQSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000311135989 374233700 /nfs/dbraw/zinc/23/37/00/374233700.db2.gz FAADBQCLLCSKCV-IIAWOOMASA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000310898463 374227836 /nfs/dbraw/zinc/22/78/36/374227836.db2.gz BEQVAPSKGWDNDW-KGLIPLIRSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000312962053 374297082 /nfs/dbraw/zinc/29/70/82/374297082.db2.gz UDSCENCKKFTWBP-GJZGRUSLSA-N 2 1 278.440 3.032 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000312962053 374297088 /nfs/dbraw/zinc/29/70/88/374297088.db2.gz UDSCENCKKFTWBP-GJZGRUSLSA-N 2 1 278.440 3.032 20 0 CGADMP c1cnc2c(c1)cccc2C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000316481019 374334931 /nfs/dbraw/zinc/33/49/31/374334931.db2.gz WUYRASWBJLSGAG-QZTJIDSGSA-N 2 1 295.430 3.341 20 0 CGADMP c1cnc2c(c1)cccc2C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000316481019 374334934 /nfs/dbraw/zinc/33/49/34/374334934.db2.gz WUYRASWBJLSGAG-QZTJIDSGSA-N 2 1 295.430 3.341 20 0 CGADMP C[C@H]([NH2+]Cc1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102404 374371213 /nfs/dbraw/zinc/37/12/13/374371213.db2.gz QGHREUXWPPOTRQ-UONOGXRCSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@H]([NH2+]Cc1ccco1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102404 374371219 /nfs/dbraw/zinc/37/12/19/374371219.db2.gz QGHREUXWPPOTRQ-UONOGXRCSA-N 2 1 262.397 3.022 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086887689 541941132 /nfs/dbraw/zinc/94/11/32/541941132.db2.gz ACHNCJUBTQSSJN-ILXRZTDVSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1nc(C)cs1 ZINC000184424094 374520787 /nfs/dbraw/zinc/52/07/87/374520787.db2.gz UEVWOSJRCKWHGJ-CQSZACIVSA-N 2 1 292.452 3.478 20 0 CGADMP CC(C)=CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721309 374722680 /nfs/dbraw/zinc/72/26/80/374722680.db2.gz ZUNBCQPKLRFWCX-CABCVRRESA-N 2 1 250.430 3.195 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000186152481 374803975 /nfs/dbraw/zinc/80/39/75/374803975.db2.gz HTCHVYQMSRKVRS-NEPJUHHUSA-N 2 1 293.436 3.249 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000464782012 374898942 /nfs/dbraw/zinc/89/89/42/374898942.db2.gz UWVGIHYYNYMUEP-OAHLLOKOSA-N 2 1 254.462 3.476 20 0 CGADMP C[C@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000464850334 374910640 /nfs/dbraw/zinc/91/06/40/374910640.db2.gz OVRMKPLPARJGDI-WNKDZCFJSA-N 2 1 266.473 3.332 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000474606492 375119460 /nfs/dbraw/zinc/11/94/60/375119460.db2.gz WGJYBWCSMQONRO-CQSZACIVSA-N 2 1 278.415 3.210 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000474606492 375119468 /nfs/dbraw/zinc/11/94/68/375119468.db2.gz WGJYBWCSMQONRO-CQSZACIVSA-N 2 1 278.415 3.210 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000488301023 375306545 /nfs/dbraw/zinc/30/65/45/375306545.db2.gz VBBGYNDKNRGFSF-BRWVUGGUSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC23CCCC3)cn1 ZINC000189074546 375320035 /nfs/dbraw/zinc/32/00/35/375320035.db2.gz GVAMXEFWGUAUOX-MRXNPFEDSA-N 2 1 296.418 3.388 20 0 CGADMP CSCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000188719793 375259108 /nfs/dbraw/zinc/25/91/08/375259108.db2.gz FAAJSXZBHUKKFL-CKEIUWERSA-N 2 1 292.492 3.368 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@H](C)C1 ZINC000188723267 375260511 /nfs/dbraw/zinc/26/05/11/375260511.db2.gz QWMHEIJFZFCFHJ-KDOFPFPSSA-N 2 1 272.436 3.384 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000335687375 375347421 /nfs/dbraw/zinc/34/74/21/375347421.db2.gz WQSBRMNJMKOSAT-WMZOPIPTSA-N 2 1 272.436 3.397 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1(c2ccccc2)CC1 ZINC000189313429 375365144 /nfs/dbraw/zinc/36/51/44/375365144.db2.gz DHRHAKIZZPPZQZ-KRWDZBQOSA-N 2 1 272.436 3.134 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1(c2ccccc2)CC1 ZINC000189313429 375365153 /nfs/dbraw/zinc/36/51/53/375365153.db2.gz DHRHAKIZZPPZQZ-KRWDZBQOSA-N 2 1 272.436 3.134 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1(c2ccccc2)CC1 ZINC000189313429 375365160 /nfs/dbraw/zinc/36/51/60/375365160.db2.gz DHRHAKIZZPPZQZ-KRWDZBQOSA-N 2 1 272.436 3.134 20 0 CGADMP CC(C)OC1CC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000189519688 375402660 /nfs/dbraw/zinc/40/26/60/375402660.db2.gz FCBABZSTWGBKOQ-OQSMONGASA-N 2 1 296.499 3.290 20 0 CGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000335910562 375534104 /nfs/dbraw/zinc/53/41/04/375534104.db2.gz HZMKHCCHRPCXDJ-LBPRGKRZSA-N 2 1 293.773 3.202 20 0 CGADMP Cn1ccnc1[C@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000335910562 375534111 /nfs/dbraw/zinc/53/41/11/375534111.db2.gz HZMKHCCHRPCXDJ-LBPRGKRZSA-N 2 1 293.773 3.202 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000502719699 375646845 /nfs/dbraw/zinc/64/68/45/375646845.db2.gz FIISUZQXGPILJQ-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000502719699 375646850 /nfs/dbraw/zinc/64/68/50/375646850.db2.gz FIISUZQXGPILJQ-IXDOHACOSA-N 2 1 296.499 3.292 20 0 CGADMP C[C@H](NC1CC[NH+](C)CC1)c1cc2cccc(F)c2o1 ZINC000336063888 375656127 /nfs/dbraw/zinc/65/61/27/375656127.db2.gz KLOAHVNTCQRYLQ-NSHDSACASA-N 2 1 276.355 3.317 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000502440008 375645616 /nfs/dbraw/zinc/64/56/16/375645616.db2.gz CKRJQJWMBVEVOV-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000502440008 375645621 /nfs/dbraw/zinc/64/56/21/375645621.db2.gz CKRJQJWMBVEVOV-OKZBNKHCSA-N 2 1 296.499 3.292 20 0 CGADMP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2C)CC1 ZINC000191979346 375685499 /nfs/dbraw/zinc/68/54/99/375685499.db2.gz DHFLUUGHZDUPHO-UHFFFAOYSA-N 2 1 275.440 3.338 20 0 CGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000507509504 375709536 /nfs/dbraw/zinc/70/95/36/375709536.db2.gz LDKPBLMPJJAURO-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000507509504 375709540 /nfs/dbraw/zinc/70/95/40/375709540.db2.gz LDKPBLMPJJAURO-GVDBMIGSSA-N 2 1 296.499 3.292 20 0 CGADMP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507523281 375712256 /nfs/dbraw/zinc/71/22/56/375712256.db2.gz IJHHARMBTRZRJT-QBPKDAKJSA-N 2 1 262.441 3.172 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000514244232 375804020 /nfs/dbraw/zinc/80/40/20/375804020.db2.gz FBFDOUYUEQFFLS-ARFHVFGLSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1c[nH+]ccc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192957602 375808113 /nfs/dbraw/zinc/80/81/13/375808113.db2.gz TWSZPUBYDNDUGI-KRWDZBQOSA-N 2 1 281.403 3.324 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336803323 375952806 /nfs/dbraw/zinc/95/28/06/375952806.db2.gz XZAJKQJBDCJYJV-INIZCTEOSA-N 2 1 255.365 3.029 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]1c1ccccc1 ZINC000336803323 375952811 /nfs/dbraw/zinc/95/28/11/375952811.db2.gz XZAJKQJBDCJYJV-INIZCTEOSA-N 2 1 255.365 3.029 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000193998662 375947238 /nfs/dbraw/zinc/94/72/38/375947238.db2.gz ADNIUVCYKSSEFM-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000193998662 375947243 /nfs/dbraw/zinc/94/72/43/375947243.db2.gz ADNIUVCYKSSEFM-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000193998662 375947254 /nfs/dbraw/zinc/94/72/54/375947254.db2.gz ADNIUVCYKSSEFM-NVXWUHKLSA-N 2 1 290.451 3.166 20 0 CGADMP C[N@@H+](CCn1ccnc1)Cc1ccc(C(C)(C)C)cc1 ZINC000535033219 376013179 /nfs/dbraw/zinc/01/31/79/376013179.db2.gz UZWWWNIDGBEBIR-UHFFFAOYSA-N 2 1 271.408 3.313 20 0 CGADMP C[C@H]1c2c(F)cccc2CCN1CC[C@@H]1CCC[N@H+]1C ZINC000535050731 376017560 /nfs/dbraw/zinc/01/75/60/376017560.db2.gz NBGLKVJRLMFBBJ-ZFWWWQNUSA-N 2 1 276.399 3.229 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cscn1 ZINC000535064384 376019667 /nfs/dbraw/zinc/01/96/67/376019667.db2.gz RBHIGIKIIBLDOR-UONOGXRCSA-N 2 1 281.469 3.448 20 0 CGADMP COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)ccc1C ZINC000194336299 375985509 /nfs/dbraw/zinc/98/55/09/375985509.db2.gz AHFWXWNHVAVQOR-UHFFFAOYSA-N 2 1 287.407 3.079 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCC2CCOCC2)CC1 ZINC000337139052 376094414 /nfs/dbraw/zinc/09/44/14/376094414.db2.gz PMMDXYUDBKNQPZ-UHFFFAOYSA-N 2 1 296.499 3.388 20 0 CGADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000536658773 376111721 /nfs/dbraw/zinc/11/17/21/376111721.db2.gz LMAZNNJSVTWDOO-BBRMVZONSA-N 2 1 280.481 3.473 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)s1 ZINC000536658773 376111727 /nfs/dbraw/zinc/11/17/27/376111727.db2.gz LMAZNNJSVTWDOO-BBRMVZONSA-N 2 1 280.481 3.473 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)s1 ZINC000536658773 376111732 /nfs/dbraw/zinc/11/17/32/376111732.db2.gz LMAZNNJSVTWDOO-BBRMVZONSA-N 2 1 280.481 3.473 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC2CCOCC2)C[C@@H]1C ZINC000337175980 376115469 /nfs/dbraw/zinc/11/54/69/376115469.db2.gz IZMZLWZPSUGDDV-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC2CCOCC2)C[C@@H]1C ZINC000337175980 376115476 /nfs/dbraw/zinc/11/54/76/376115476.db2.gz IZMZLWZPSUGDDV-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC2CCOCC2)C[C@@H]1C ZINC000337175980 376115482 /nfs/dbraw/zinc/11/54/82/376115482.db2.gz IZMZLWZPSUGDDV-FUHWJXTLSA-N 2 1 296.499 3.388 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCc2ccccc21 ZINC000195632314 376115950 /nfs/dbraw/zinc/11/59/50/376115950.db2.gz MZSNDMISWQOAML-SFHVURJKSA-N 2 1 272.436 3.482 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000535745356 376053349 /nfs/dbraw/zinc/05/33/49/376053349.db2.gz HLNXXDNJTMPVAD-CWRNSKLLSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000535745356 376053351 /nfs/dbraw/zinc/05/33/51/376053351.db2.gz HLNXXDNJTMPVAD-CWRNSKLLSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000535765590 376056258 /nfs/dbraw/zinc/05/62/58/376056258.db2.gz MAAIHFATZKJVAY-ZDUSSCGKSA-N 2 1 251.418 3.338 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000535765590 376056261 /nfs/dbraw/zinc/05/62/61/376056261.db2.gz MAAIHFATZKJVAY-ZDUSSCGKSA-N 2 1 251.418 3.338 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)C1 ZINC000537296700 376160353 /nfs/dbraw/zinc/16/03/53/376160353.db2.gz YTVQPKUACMRTDN-YLFCFFPRSA-N 2 1 296.499 3.148 20 0 CGADMP CC(C)OC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000337347608 376214373 /nfs/dbraw/zinc/21/43/73/376214373.db2.gz XSJKSHXQJPPWEH-HOTGVXAUSA-N 2 1 270.461 3.044 20 0 CGADMP CSc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221784423 376221387 /nfs/dbraw/zinc/22/13/87/376221387.db2.gz ANSQBQVSDGMTAT-UHFFFAOYSA-N 2 1 266.454 3.228 20 0 CGADMP CSc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221784423 376221397 /nfs/dbraw/zinc/22/13/97/376221397.db2.gz ANSQBQVSDGMTAT-UHFFFAOYSA-N 2 1 266.454 3.228 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccccc1F ZINC000221908051 376223850 /nfs/dbraw/zinc/22/38/50/376223850.db2.gz PWIQQVYRPIBZKV-ZDUSSCGKSA-N 2 1 252.377 3.207 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[NH+]1CCCC1 ZINC000337996580 376252499 /nfs/dbraw/zinc/25/24/99/376252499.db2.gz PXLZAKRFJCSXIO-ZACQAIPSSA-N 2 1 264.457 3.275 20 0 CGADMP C[N@H+](C[C@@H]1CCCC(F)(F)C1)C[C@H]1CCC[NH+](C)C1 ZINC000338302194 376323809 /nfs/dbraw/zinc/32/38/09/376323809.db2.gz BPLKMDFCLUYATA-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCCC(F)(F)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000338302194 376323812 /nfs/dbraw/zinc/32/38/12/376323812.db2.gz BPLKMDFCLUYATA-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP C[NH+](C[C@@H]1CCCC(F)(F)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000338302194 376323817 /nfs/dbraw/zinc/32/38/17/376323817.db2.gz BPLKMDFCLUYATA-KGLIPLIRSA-N 2 1 274.399 3.086 20 0 CGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000539851609 376342000 /nfs/dbraw/zinc/34/20/00/376342000.db2.gz VVUYHTZQIBTNNX-LJQANCHMSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539851609 376342003 /nfs/dbraw/zinc/34/20/03/376342003.db2.gz VVUYHTZQIBTNNX-LJQANCHMSA-N 2 1 286.463 3.467 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539851609 376342005 /nfs/dbraw/zinc/34/20/05/376342005.db2.gz VVUYHTZQIBTNNX-LJQANCHMSA-N 2 1 286.463 3.467 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(OC)cc1 ZINC000338237199 376293783 /nfs/dbraw/zinc/29/37/83/376293783.db2.gz IRENOFDRACXSFF-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000338237199 376293793 /nfs/dbraw/zinc/29/37/93/376293793.db2.gz IRENOFDRACXSFF-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCNCc1ncc(Cl)s1 ZINC000225302055 376301891 /nfs/dbraw/zinc/30/18/91/376301891.db2.gz LPSZXNCYPZMYBV-NSHDSACASA-N 2 1 287.860 3.151 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541058315 376417749 /nfs/dbraw/zinc/41/77/49/376417749.db2.gz XMOWRQLBBOIERK-MRXNPFEDSA-N 2 1 286.463 3.208 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541058315 376417753 /nfs/dbraw/zinc/41/77/53/376417753.db2.gz XMOWRQLBBOIERK-MRXNPFEDSA-N 2 1 286.463 3.208 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000540151286 376358867 /nfs/dbraw/zinc/35/88/67/376358867.db2.gz MLFWKMKUKBWENM-GDBMZVCRSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000226536659 376362792 /nfs/dbraw/zinc/36/27/92/376362792.db2.gz FOIKOWIEFZHJLD-GVXVVHGQSA-N 2 1 297.240 3.179 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000226536659 376362800 /nfs/dbraw/zinc/36/28/00/376362800.db2.gz FOIKOWIEFZHJLD-GVXVVHGQSA-N 2 1 297.240 3.179 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228283270 376432215 /nfs/dbraw/zinc/43/22/15/376432215.db2.gz QAFZHECUJZJBBS-GXTWGEPZSA-N 2 1 272.392 3.314 20 0 CGADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228283270 376432217 /nfs/dbraw/zinc/43/22/17/376432217.db2.gz QAFZHECUJZJBBS-GXTWGEPZSA-N 2 1 272.392 3.314 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000228287649 376432914 /nfs/dbraw/zinc/43/29/14/376432914.db2.gz NGCLJSHQRQSYKA-GXTWGEPZSA-N 2 1 272.392 3.300 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC000228473235 376436795 /nfs/dbraw/zinc/43/67/95/376436795.db2.gz BGEFCLNUDYYPEG-ARFHVFGLSA-N 2 1 250.430 3.016 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC000228474148 376436810 /nfs/dbraw/zinc/43/68/10/376436810.db2.gz PGRWXJUJEBZLII-IPMKNSEASA-N 2 1 280.415 3.399 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC000541317342 376438602 /nfs/dbraw/zinc/43/86/02/376438602.db2.gz MEYDAZBWHOUDJH-LSDHHAIUSA-N 2 1 252.446 3.229 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000228828310 376450984 /nfs/dbraw/zinc/45/09/84/376450984.db2.gz FFTLDGYUQIOHHX-UHFFFAOYSA-N 2 1 278.415 3.393 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000228828310 376450995 /nfs/dbraw/zinc/45/09/95/376450995.db2.gz FFTLDGYUQIOHHX-UHFFFAOYSA-N 2 1 278.415 3.393 20 0 CGADMP C[C@@H]([NH2+]C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599737 376465959 /nfs/dbraw/zinc/46/59/59/376465959.db2.gz OWRLHYBVVFNCHZ-KGLIPLIRSA-N 2 1 250.430 3.172 20 0 CGADMP C[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC000231459088 376558192 /nfs/dbraw/zinc/55/81/92/376558192.db2.gz JNNMGHWYLVBEIS-CQSZACIVSA-N 2 1 258.365 3.007 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c2ccccc2n1 ZINC000231669472 376564765 /nfs/dbraw/zinc/56/47/65/376564765.db2.gz XMHYZICHEKMJPX-MRXNPFEDSA-N 2 1 283.419 3.117 20 0 CGADMP CC1(C)C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230660068 376525339 /nfs/dbraw/zinc/52/53/39/376525339.db2.gz AAYDFIVTEHBODA-INIZCTEOSA-N 2 1 272.436 3.287 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000542469127 376544901 /nfs/dbraw/zinc/54/49/01/376544901.db2.gz MKKYPJTURWYBMO-YESZJQIVSA-N 2 1 266.473 3.476 20 0 CGADMP C[N@@H+](CCC1CC1)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000338938789 376584952 /nfs/dbraw/zinc/58/49/52/376584952.db2.gz LXRINCSALCJRBB-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CCC1CC1)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000338938789 376584961 /nfs/dbraw/zinc/58/49/61/376584961.db2.gz LXRINCSALCJRBB-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](CCC1CC1)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000338938789 376584975 /nfs/dbraw/zinc/58/49/75/376584975.db2.gz LXRINCSALCJRBB-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000339005099 376623238 /nfs/dbraw/zinc/62/32/38/376623238.db2.gz JMEPIYDBJIBTBE-MRXNPFEDSA-N 2 1 289.467 3.287 20 0 CGADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000339005099 376623242 /nfs/dbraw/zinc/62/32/42/376623242.db2.gz JMEPIYDBJIBTBE-MRXNPFEDSA-N 2 1 289.467 3.287 20 0 CGADMP Cc1nc(C(C)C)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000339005099 376623253 /nfs/dbraw/zinc/62/32/53/376623253.db2.gz JMEPIYDBJIBTBE-MRXNPFEDSA-N 2 1 289.467 3.287 20 0 CGADMP Cc1nc(C(C)C)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000339005099 376623261 /nfs/dbraw/zinc/62/32/61/376623261.db2.gz JMEPIYDBJIBTBE-MRXNPFEDSA-N 2 1 289.467 3.287 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000543394840 376635103 /nfs/dbraw/zinc/63/51/03/376635103.db2.gz OJLSGVJNDOHTKL-NXHRZFHOSA-N 2 1 278.484 3.476 20 0 CGADMP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C[C@@H]2C1 ZINC000339076648 376662918 /nfs/dbraw/zinc/66/29/18/376662918.db2.gz WIAIYIBQZCIVBL-DRRXZNNHSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000264535507 190116596 /nfs/dbraw/zinc/11/65/96/190116596.db2.gz LVIGUSYFKLZBDQ-UHFFFAOYSA-N 2 1 276.399 3.241 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cncs2)cc1 ZINC000136315258 542090501 /nfs/dbraw/zinc/09/05/01/542090501.db2.gz AAHZEKKTAICNJM-LBPRGKRZSA-N 2 1 298.415 3.488 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CC=CCC1 ZINC000237549719 376750752 /nfs/dbraw/zinc/75/07/52/376750752.db2.gz KQFLDSYOGBIKCW-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CC=CCC1 ZINC000237549719 376750762 /nfs/dbraw/zinc/75/07/62/376750762.db2.gz KQFLDSYOGBIKCW-OWCLPIDISA-N 2 1 250.430 3.053 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000245532881 376844930 /nfs/dbraw/zinc/84/49/30/376844930.db2.gz IMVLDMJJYGCLDP-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000245532881 376844940 /nfs/dbraw/zinc/84/49/40/376844940.db2.gz IMVLDMJJYGCLDP-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000245532881 376844947 /nfs/dbraw/zinc/84/49/47/376844947.db2.gz IMVLDMJJYGCLDP-OAGGEKHMSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000245757934 376902468 /nfs/dbraw/zinc/90/24/68/376902468.db2.gz PAXRSIVEYHCAHN-HZPDHXFCSA-N 2 1 250.430 3.006 20 0 CGADMP Cn1cccc1[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245586742 376863020 /nfs/dbraw/zinc/86/30/20/376863020.db2.gz FBJOMWPANXAUBR-WBVHZDCISA-N 2 1 275.440 3.036 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757934 376902471 /nfs/dbraw/zinc/90/24/71/376902471.db2.gz PAXRSIVEYHCAHN-HZPDHXFCSA-N 2 1 250.430 3.006 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757934 376902472 /nfs/dbraw/zinc/90/24/72/376902472.db2.gz PAXRSIVEYHCAHN-HZPDHXFCSA-N 2 1 250.430 3.006 20 0 CGADMP C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245687332 376881267 /nfs/dbraw/zinc/88/12/67/376881267.db2.gz JUIFPRYSIJGJGN-SOVHRIKKSA-N 2 1 270.420 3.180 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000556873267 376894398 /nfs/dbraw/zinc/89/43/98/376894398.db2.gz WWDFJMPFCZZRKB-JJTUDDRGSA-N 2 1 264.457 3.275 20 0 CGADMP COc1c(C)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245770547 376905351 /nfs/dbraw/zinc/90/53/51/376905351.db2.gz RQQIDZFNXKVMGK-RDJZCZTQSA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245770547 376905355 /nfs/dbraw/zinc/90/53/55/376905355.db2.gz RQQIDZFNXKVMGK-RDJZCZTQSA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245770547 376905358 /nfs/dbraw/zinc/90/53/58/376905358.db2.gz RQQIDZFNXKVMGK-RDJZCZTQSA-N 2 1 290.451 3.227 20 0 CGADMP COc1c(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245770547 376905361 /nfs/dbraw/zinc/90/53/61/376905361.db2.gz RQQIDZFNXKVMGK-RDJZCZTQSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086371 376964377 /nfs/dbraw/zinc/96/43/77/376964377.db2.gz IGTQYYLVRYTKTJ-WMLDXEAASA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086371 376964388 /nfs/dbraw/zinc/96/43/88/376964388.db2.gz IGTQYYLVRYTKTJ-WMLDXEAASA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086371 376964396 /nfs/dbraw/zinc/96/43/96/376964396.db2.gz IGTQYYLVRYTKTJ-WMLDXEAASA-N 2 1 284.403 3.349 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000558611248 377024873 /nfs/dbraw/zinc/02/48/73/377024873.db2.gz YMBSKYCCEVZDOL-RYRKJORJSA-N 2 1 287.451 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426633 377051794 /nfs/dbraw/zinc/05/17/94/377051794.db2.gz MBJZLMQNJMUCMG-IUODEOHRSA-N 2 1 282.378 3.228 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558259683 376993543 /nfs/dbraw/zinc/99/35/43/376993543.db2.gz TXWULQGEZZXOJF-KZNAEPCWSA-N 2 1 272.436 3.287 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246868093 377107258 /nfs/dbraw/zinc/10/72/58/377107258.db2.gz DHOFBBYUNCNUCH-CVEARBPZSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247321890 377194110 /nfs/dbraw/zinc/19/41/10/377194110.db2.gz SNGRBTILUPDXEN-TZMCWYRMSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247321890 377194117 /nfs/dbraw/zinc/19/41/17/377194117.db2.gz SNGRBTILUPDXEN-TZMCWYRMSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000247321890 377194124 /nfs/dbraw/zinc/19/41/24/377194124.db2.gz SNGRBTILUPDXEN-TZMCWYRMSA-N 2 1 282.378 3.442 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000247321890 377194133 /nfs/dbraw/zinc/19/41/33/377194133.db2.gz SNGRBTILUPDXEN-TZMCWYRMSA-N 2 1 282.378 3.442 20 0 CGADMP Fc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247027981 377143570 /nfs/dbraw/zinc/14/35/70/377143570.db2.gz YGSWVYGFYDRRAP-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247027981 377143585 /nfs/dbraw/zinc/14/35/85/377143585.db2.gz YGSWVYGFYDRRAP-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247027981 377143599 /nfs/dbraw/zinc/14/35/99/377143599.db2.gz YGSWVYGFYDRRAP-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP Fc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247027981 377143608 /nfs/dbraw/zinc/14/36/08/377143608.db2.gz YGSWVYGFYDRRAP-MAUKXSAKSA-N 2 1 288.410 3.274 20 0 CGADMP CC(C)c1nc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cs1 ZINC000247032877 377144695 /nfs/dbraw/zinc/14/46/95/377144695.db2.gz NPEBBMRTQVGIOV-KCQAQPDRSA-N 2 1 295.496 3.127 20 0 CGADMP Cc1csc(CCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000247112056 377162251 /nfs/dbraw/zinc/16/22/51/377162251.db2.gz TWJWHUUWELFZTQ-VHDGCEQUSA-N 2 1 295.496 3.093 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000560527865 377163808 /nfs/dbraw/zinc/16/38/08/377163808.db2.gz DHXROOPTSWTWNG-UIGZQWRCSA-N 2 1 276.468 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000560537857 377165647 /nfs/dbraw/zinc/16/56/47/377165647.db2.gz UJXULMPFBGBRLN-SOUVJXGZSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247136780 377165806 /nfs/dbraw/zinc/16/58/06/377165806.db2.gz AWWZPRWHLPEXMX-FUHWJXTLSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247136780 377165817 /nfs/dbraw/zinc/16/58/17/377165817.db2.gz AWWZPRWHLPEXMX-FUHWJXTLSA-N 2 1 272.436 3.220 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247136780 377165829 /nfs/dbraw/zinc/16/58/29/377165829.db2.gz AWWZPRWHLPEXMX-FUHWJXTLSA-N 2 1 272.436 3.220 20 0 CGADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)C1CCCC1 ZINC000247193851 377174915 /nfs/dbraw/zinc/17/49/15/377174915.db2.gz UOHUVTPBJHHYQE-KBAYOESNSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000247207671 377176182 /nfs/dbraw/zinc/17/61/82/377176182.db2.gz WSVWWARSUADMEW-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247234922 377183953 /nfs/dbraw/zinc/18/39/53/377183953.db2.gz XFCZSWLVXVTKRB-YFHUEUNASA-N 2 1 290.451 3.081 20 0 CGADMP [NH3+][C@@H]1CCC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000561267673 377215804 /nfs/dbraw/zinc/21/58/04/377215804.db2.gz QMVGGKJYBNPOAQ-WDEREUQCSA-N 2 1 261.394 3.226 20 0 CGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000340686543 377218481 /nfs/dbraw/zinc/21/84/81/377218481.db2.gz WFBWOEDEENJFLT-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000340686543 377218485 /nfs/dbraw/zinc/21/84/85/377218485.db2.gz WFBWOEDEENJFLT-GOSISDBHSA-N 2 1 288.435 3.051 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)CC2)C1 ZINC000561467501 377229226 /nfs/dbraw/zinc/22/92/26/377229226.db2.gz CYBZGJBPFDOPLG-HWOWSKLDSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248417501 377314190 /nfs/dbraw/zinc/31/41/90/377314190.db2.gz RHUCNPSVZWAGKP-DZOHQFGASA-N 2 1 272.436 3.285 20 0 CGADMP CC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248417500 377315615 /nfs/dbraw/zinc/31/56/15/377315615.db2.gz RHUCNPSVZWAGKP-DZJNRPSUSA-N 2 1 272.436 3.285 20 0 CGADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000248477986 377328122 /nfs/dbraw/zinc/32/81/22/377328122.db2.gz ZABNKUCVULRZAZ-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000248477986 377328131 /nfs/dbraw/zinc/32/81/31/377328131.db2.gz ZABNKUCVULRZAZ-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000248477986 377328140 /nfs/dbraw/zinc/32/81/40/377328140.db2.gz ZABNKUCVULRZAZ-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000248477986 377328150 /nfs/dbraw/zinc/32/81/50/377328150.db2.gz ZABNKUCVULRZAZ-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000248477986 377328155 /nfs/dbraw/zinc/32/81/55/377328155.db2.gz ZABNKUCVULRZAZ-FUHWJXTLSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000248173169 377277989 /nfs/dbraw/zinc/27/79/89/377277989.db2.gz VDQUUOMKQQSPAK-XYJFISCASA-N 2 1 274.452 3.307 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000248173169 377277997 /nfs/dbraw/zinc/27/79/97/377277997.db2.gz VDQUUOMKQQSPAK-XYJFISCASA-N 2 1 274.452 3.307 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000562206084 377284428 /nfs/dbraw/zinc/28/44/28/377284428.db2.gz LUMBTDDJUSXAFQ-CYBMUJFWSA-N 2 1 298.833 3.342 20 0 CGADMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(CC)CC ZINC000248760178 377398502 /nfs/dbraw/zinc/39/85/02/377398502.db2.gz DJPUVBHSXJTDET-QHEDDYRISA-N 2 1 294.483 3.185 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc2ccccc21 ZINC000563349038 377446814 /nfs/dbraw/zinc/44/68/14/377446814.db2.gz NQJNIXPDKZQCJT-GOEBONIOSA-N 2 1 284.403 3.030 20 0 CGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000563351189 377446882 /nfs/dbraw/zinc/44/68/82/377446882.db2.gz XAUFZNSMYGHCKQ-ZBFHGGJFSA-N 2 1 276.424 3.033 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000249038630 377448714 /nfs/dbraw/zinc/44/87/14/377448714.db2.gz CSMMKGKGCZODFK-VVLHAWIVSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000249038630 377448723 /nfs/dbraw/zinc/44/87/23/377448723.db2.gz CSMMKGKGCZODFK-VVLHAWIVSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000249038630 377448730 /nfs/dbraw/zinc/44/87/30/377448730.db2.gz CSMMKGKGCZODFK-VVLHAWIVSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000249038630 377448735 /nfs/dbraw/zinc/44/87/35/377448735.db2.gz CSMMKGKGCZODFK-VVLHAWIVSA-N 2 1 264.457 3.393 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249038630 377448743 /nfs/dbraw/zinc/44/87/43/377448743.db2.gz CSMMKGKGCZODFK-VVLHAWIVSA-N 2 1 264.457 3.393 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000563358035 377449124 /nfs/dbraw/zinc/44/91/24/377449124.db2.gz VRPZAHHCRMDIOT-GOSISDBHSA-N 2 1 283.419 3.498 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000563358035 377449131 /nfs/dbraw/zinc/44/91/31/377449131.db2.gz VRPZAHHCRMDIOT-GOSISDBHSA-N 2 1 283.419 3.498 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000563365848 377451019 /nfs/dbraw/zinc/45/10/19/377451019.db2.gz NYZGCCWIKXBVRJ-HZPDHXFCSA-N 2 1 277.456 3.499 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000563365848 377451025 /nfs/dbraw/zinc/45/10/25/377451025.db2.gz NYZGCCWIKXBVRJ-HZPDHXFCSA-N 2 1 277.456 3.499 20 0 CGADMP c1sc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563136426 377407336 /nfs/dbraw/zinc/40/73/36/377407336.db2.gz VNDZJZGAMMTUPS-KRWDZBQOSA-N 2 1 286.444 3.477 20 0 CGADMP CSCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249270752 377484851 /nfs/dbraw/zinc/48/48/51/377484851.db2.gz JCWFGXNAVSSXCO-QLPKVWCKSA-N 2 1 292.492 3.096 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000037649084 249002719 /nfs/dbraw/zinc/00/27/19/249002719.db2.gz VWKGOVFTEDGLHF-TZMCWYRMSA-N 2 1 264.438 3.273 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166551613 542175990 /nfs/dbraw/zinc/17/59/90/542175990.db2.gz KBQKCMJGLKHJCL-YTQUADARSA-N 2 1 286.463 3.451 20 0 CGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422904567 249127702 /nfs/dbraw/zinc/12/77/02/249127702.db2.gz GYKXPYSPSJRNGM-SJLPKXTDSA-N 3 1 295.515 3.138 20 0 CGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000422904567 249127703 /nfs/dbraw/zinc/12/77/03/249127703.db2.gz GYKXPYSPSJRNGM-SJLPKXTDSA-N 2 1 295.515 3.138 20 0 CGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000313436604 249092417 /nfs/dbraw/zinc/09/24/17/249092417.db2.gz WBEBLYHOJGRTRP-WMLDXEAASA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470020159 249165568 /nfs/dbraw/zinc/16/55/68/249165568.db2.gz XCUYQQRYYBJVMQ-UBLGTCEWSA-N 2 1 286.463 3.470 20 0 CGADMP CCC[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000469887399 249161165 /nfs/dbraw/zinc/16/11/65/249161165.db2.gz GAOLVHYEPXJTHP-VSZNYVQBSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251227576 377578239 /nfs/dbraw/zinc/57/82/39/377578239.db2.gz AFEFNSQQJWYTRM-LOWVWBTDSA-N 2 1 268.351 3.085 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251227576 377578244 /nfs/dbraw/zinc/57/82/44/377578244.db2.gz AFEFNSQQJWYTRM-LOWVWBTDSA-N 2 1 268.351 3.085 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000517243882 249260723 /nfs/dbraw/zinc/26/07/23/249260723.db2.gz RDKNOOXZFCCBHI-UHFFFAOYSA-N 2 1 275.440 3.399 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000517243882 249260726 /nfs/dbraw/zinc/26/07/26/249260726.db2.gz RDKNOOXZFCCBHI-UHFFFAOYSA-N 2 1 275.440 3.399 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000573931213 377596181 /nfs/dbraw/zinc/59/61/81/377596181.db2.gz NVONYIIZWYBRFB-NHYWBVRUSA-N 2 1 289.810 3.200 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000573931213 377596186 /nfs/dbraw/zinc/59/61/86/377596186.db2.gz NVONYIIZWYBRFB-NHYWBVRUSA-N 2 1 289.810 3.200 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000573950953 377597796 /nfs/dbraw/zinc/59/77/96/377597796.db2.gz FBNLXNURXGCIIP-OALUTQOASA-N 2 1 295.430 3.498 20 0 CGADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000574002520 377605613 /nfs/dbraw/zinc/60/56/13/377605613.db2.gz IARINWSRPMJFSE-WMLDXEAASA-N 2 1 292.492 3.343 20 0 CGADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000252389405 377619612 /nfs/dbraw/zinc/61/96/12/377619612.db2.gz IUNGRGJVDADTQQ-PBNGXKPNSA-N 2 1 274.452 3.028 20 0 CGADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000252389405 377619615 /nfs/dbraw/zinc/61/96/15/377619615.db2.gz IUNGRGJVDADTQQ-PBNGXKPNSA-N 2 1 274.452 3.028 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252410431 377620636 /nfs/dbraw/zinc/62/06/36/377620636.db2.gz LMDNNZYEXYWRGY-IXIBIKRGSA-N 2 1 250.430 3.170 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000574333028 377650049 /nfs/dbraw/zinc/65/00/49/377650049.db2.gz ZKOXFTFWBUAPRI-QGZVFWFLSA-N 2 1 260.425 3.083 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000252712679 377654442 /nfs/dbraw/zinc/65/44/42/377654442.db2.gz NBMKWJLTDUTXJW-UGFHNGPFSA-N 2 1 294.439 3.292 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000252712679 377654446 /nfs/dbraw/zinc/65/44/46/377654446.db2.gz NBMKWJLTDUTXJW-UGFHNGPFSA-N 2 1 294.439 3.292 20 0 CGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252802760 377664016 /nfs/dbraw/zinc/66/40/16/377664016.db2.gz USYCXNJYWIGCSA-ANQUJSFKSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252853380 377666692 /nfs/dbraw/zinc/66/66/92/377666692.db2.gz JBKLZUCWTCNUHL-OXJKWZBOSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252853380 377666700 /nfs/dbraw/zinc/66/67/00/377666700.db2.gz JBKLZUCWTCNUHL-OXJKWZBOSA-N 2 1 280.362 3.085 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255338132 377751223 /nfs/dbraw/zinc/75/12/23/377751223.db2.gz RYXPYIQKXMLRJL-JZIMQPMSSA-N 2 1 278.827 3.237 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255338132 377751231 /nfs/dbraw/zinc/75/12/31/377751231.db2.gz RYXPYIQKXMLRJL-JZIMQPMSSA-N 2 1 278.827 3.237 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000261657392 377836709 /nfs/dbraw/zinc/83/67/09/377836709.db2.gz XSSUTPQBMGHCDI-JQHSSLGASA-N 2 1 272.436 3.171 20 0 CGADMP C[C@@]1(C[N@@H+](CC2CC2)C2CCCCC2)CC[NH2+]C1 ZINC000261918615 377866976 /nfs/dbraw/zinc/86/69/76/377866976.db2.gz ZZQHRLAEBGBSAW-MRXNPFEDSA-N 2 1 250.430 3.031 20 0 CGADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CCCCC2)CC1 ZINC000261953082 377871327 /nfs/dbraw/zinc/87/13/27/377871327.db2.gz OHLNGZMAZFQKNN-INIZCTEOSA-N 2 1 264.457 3.422 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3cnccc32)CC[N@@H+]1C ZINC000183357054 542230647 /nfs/dbraw/zinc/23/06/47/542230647.db2.gz WTHIZKWQKJIOOG-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3cnccc32)CC[N@H+]1C ZINC000183357054 542230651 /nfs/dbraw/zinc/23/06/51/542230651.db2.gz WTHIZKWQKJIOOG-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3cnccc32)CC[NH+]1C ZINC000183357054 542230653 /nfs/dbraw/zinc/23/06/53/542230653.db2.gz WTHIZKWQKJIOOG-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3cnccc32)CC[NH+]1C ZINC000183357054 542230657 /nfs/dbraw/zinc/23/06/57/542230657.db2.gz WTHIZKWQKJIOOG-PBHICJAKSA-N 2 1 283.419 3.149 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261994352 377875124 /nfs/dbraw/zinc/87/51/24/377875124.db2.gz KPOWGCOXFWRURK-BBRMVZONSA-N 2 1 280.843 3.202 20 0 CGADMP COc1ccc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC000262490829 377898437 /nfs/dbraw/zinc/89/84/37/377898437.db2.gz KZURQEHVGOPFJD-QXAKKESOSA-N 2 1 296.414 3.018 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000262078321 377883835 /nfs/dbraw/zinc/88/38/35/377883835.db2.gz SUYPCDIZFYZZMZ-CZUORRHYSA-N 2 1 293.480 3.014 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000262078321 377883843 /nfs/dbraw/zinc/88/38/43/377883843.db2.gz SUYPCDIZFYZZMZ-CZUORRHYSA-N 2 1 293.480 3.014 20 0 CGADMP CCC(CC)C[N@H+](CC)CCCn1cc[nH+]c1C ZINC000342859670 377842384 /nfs/dbraw/zinc/84/23/84/377842384.db2.gz KMSOPSFENFTQOP-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP CCC(CC)C[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000342859670 377842391 /nfs/dbraw/zinc/84/23/91/377842391.db2.gz KMSOPSFENFTQOP-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)s1)[C@H]1CCC[NH2+]CC1 ZINC000261743969 377847431 /nfs/dbraw/zinc/84/74/31/377847431.db2.gz BRCIJOHEQLGMFO-JTQLQIEISA-N 2 1 292.370 3.341 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)s1)[C@H]1CCC[NH2+]CC1 ZINC000261743969 377847438 /nfs/dbraw/zinc/84/74/38/377847438.db2.gz BRCIJOHEQLGMFO-JTQLQIEISA-N 2 1 292.370 3.341 20 0 CGADMP C[N@@H+](Cc1ccc(OCC2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000261760708 377851110 /nfs/dbraw/zinc/85/11/10/377851110.db2.gz CXGPCIFWKKHDFS-KRWDZBQOSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2CCc2ccccc2)CC[NH2+]C1 ZINC000261769174 377851883 /nfs/dbraw/zinc/85/18/83/377851883.db2.gz MLNWTDMVMAINFN-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000261782107 377853512 /nfs/dbraw/zinc/85/35/12/377853512.db2.gz FLQRZJCWYNNTNJ-CYBMUJFWSA-N 2 1 296.842 3.168 20 0 CGADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000261782107 377853517 /nfs/dbraw/zinc/85/35/17/377853517.db2.gz FLQRZJCWYNNTNJ-CYBMUJFWSA-N 2 1 296.842 3.168 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000268810959 378118013 /nfs/dbraw/zinc/11/80/13/378118013.db2.gz MDMBURWVUPYOES-QGZVFWFLSA-N 2 1 269.392 3.249 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000268822628 378122708 /nfs/dbraw/zinc/12/27/08/378122708.db2.gz PSMCWVFQWDMIPJ-CQSZACIVSA-N 2 1 257.381 3.159 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000268869332 378136996 /nfs/dbraw/zinc/13/69/96/378136996.db2.gz FXLUMGCYEWCWED-DDBAPUKQSA-N 2 1 272.436 3.395 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000268869332 378137000 /nfs/dbraw/zinc/13/70/00/378137000.db2.gz FXLUMGCYEWCWED-DDBAPUKQSA-N 2 1 272.436 3.395 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000578834236 378104683 /nfs/dbraw/zinc/10/46/83/378104683.db2.gz KKZJQTZSWIODTH-AWEZNQCLSA-N 2 1 272.392 3.253 20 0 CGADMP CC(C)C1CCC(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000579891963 378204779 /nfs/dbraw/zinc/20/47/79/378204779.db2.gz PQYVNBFWZLXBFA-CGZBRXJRSA-N 2 1 266.473 3.332 20 0 CGADMP CC[N@H+]1CC[C@H](NCc2cc(F)ccc2SC)[C@@H](C)C1 ZINC000345167644 378210798 /nfs/dbraw/zinc/21/07/98/378210798.db2.gz RXZVONBGYBCLJL-WFASDCNBSA-N 2 1 296.455 3.368 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2SC)[C@@H](C)C1 ZINC000345167644 378210805 /nfs/dbraw/zinc/21/08/05/378210805.db2.gz RXZVONBGYBCLJL-WFASDCNBSA-N 2 1 296.455 3.368 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](CC)C(C)C)C12CCCC2 ZINC000344089743 378159554 /nfs/dbraw/zinc/15/95/54/378159554.db2.gz BIUQBNNGUVGCBA-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](CC)C(C)C)C12CCCC2 ZINC000344089743 378159558 /nfs/dbraw/zinc/15/95/58/378159558.db2.gz BIUQBNNGUVGCBA-CVEARBPZSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269029770 378176655 /nfs/dbraw/zinc/17/66/55/378176655.db2.gz RUUJMLLTNXBAMX-JQHSSLGASA-N 2 1 290.451 3.054 20 0 CGADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269029770 378176657 /nfs/dbraw/zinc/17/66/57/378176657.db2.gz RUUJMLLTNXBAMX-JQHSSLGASA-N 2 1 290.451 3.054 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269031482 378176672 /nfs/dbraw/zinc/17/66/72/378176672.db2.gz DSHRCUUMDUSJLV-CUSZFKRNSA-N 2 1 290.451 3.053 20 0 CGADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269031482 378176677 /nfs/dbraw/zinc/17/66/77/378176677.db2.gz DSHRCUUMDUSJLV-CUSZFKRNSA-N 2 1 290.451 3.053 20 0 CGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000581038311 378276396 /nfs/dbraw/zinc/27/63/96/378276396.db2.gz CSUQBFLMSOSNOW-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000581038311 378276403 /nfs/dbraw/zinc/27/64/03/378276403.db2.gz CSUQBFLMSOSNOW-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c(C)c1 ZINC000582412738 378310407 /nfs/dbraw/zinc/31/04/07/378310407.db2.gz IMSRLRGMRKEFJN-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000582412738 378310412 /nfs/dbraw/zinc/31/04/12/378310412.db2.gz IMSRLRGMRKEFJN-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000582412738 378310418 /nfs/dbraw/zinc/31/04/18/378310418.db2.gz IMSRLRGMRKEFJN-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(C)c1 ZINC000582412738 378310421 /nfs/dbraw/zinc/31/04/21/378310421.db2.gz IMSRLRGMRKEFJN-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(C)c1 ZINC000582412738 378310426 /nfs/dbraw/zinc/31/04/26/378310426.db2.gz IMSRLRGMRKEFJN-WBVHZDCISA-N 2 1 260.425 3.075 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000583322517 378322717 /nfs/dbraw/zinc/32/27/17/378322717.db2.gz MTRGFZNIKBURQU-GXTWGEPZSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000583322517 378322724 /nfs/dbraw/zinc/32/27/24/378322724.db2.gz MTRGFZNIKBURQU-GXTWGEPZSA-N 2 1 293.480 3.360 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000583816928 378349471 /nfs/dbraw/zinc/34/94/71/378349471.db2.gz PXUVWGQRDXDLBK-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000583816928 378349473 /nfs/dbraw/zinc/34/94/73/378349473.db2.gz PXUVWGQRDXDLBK-QZTJIDSGSA-N 2 1 272.436 3.165 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000565618232 322084500 /nfs/dbraw/zinc/08/45/00/322084500.db2.gz BDHDNEKOFWITPZ-VGWMRTNUSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000565618232 322084502 /nfs/dbraw/zinc/08/45/02/322084502.db2.gz BDHDNEKOFWITPZ-VGWMRTNUSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000270649996 378380829 /nfs/dbraw/zinc/38/08/29/378380829.db2.gz OOMCLCNJFUUAIN-HNNXBMFYSA-N 2 1 287.382 3.210 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000270649996 378380835 /nfs/dbraw/zinc/38/08/35/378380835.db2.gz OOMCLCNJFUUAIN-HNNXBMFYSA-N 2 1 287.382 3.210 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000346167439 378488478 /nfs/dbraw/zinc/48/84/78/378488478.db2.gz KKNKNGVXZMSBMB-CABCVRRESA-N 2 1 298.434 3.444 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000346271582 378526849 /nfs/dbraw/zinc/52/68/49/378526849.db2.gz FXPJVOVGDXJEJB-SFHVURJKSA-N 2 1 283.419 3.207 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000346271582 378526856 /nfs/dbraw/zinc/52/68/56/378526856.db2.gz FXPJVOVGDXJEJB-SFHVURJKSA-N 2 1 283.419 3.207 20 0 CGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271891545 378511920 /nfs/dbraw/zinc/51/19/20/378511920.db2.gz SARVJMYPBSTUSC-RHSMWYFYSA-N 2 1 270.420 3.395 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000346491447 378593996 /nfs/dbraw/zinc/59/39/96/378593996.db2.gz OEDZATCPGVDTKB-YJBOKZPZSA-N 2 1 290.451 3.184 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346662186 378666147 /nfs/dbraw/zinc/66/61/47/378666147.db2.gz WIBWFNWLCHTQJF-QWHCGFSZSA-N 2 1 266.816 3.126 20 0 CGADMP C[C@H]([NH2+]C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272576155 378668452 /nfs/dbraw/zinc/66/84/52/378668452.db2.gz PVCZIIFDSDTVKD-GOEBONIOSA-N 2 1 258.409 3.039 20 0 CGADMP Cc1cc(Br)ccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346692317 378676966 /nfs/dbraw/zinc/67/69/66/378676966.db2.gz YDYLWUTXKLNSKX-UHFFFAOYSA-N 2 1 299.256 3.174 20 0 CGADMP COc1ccc([C@H](C)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346693746 378678514 /nfs/dbraw/zinc/67/85/14/378678514.db2.gz PKSPOXKADWFNSE-PBHICJAKSA-N 2 1 278.440 3.104 20 0 CGADMP CC[C@](C)(CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953583 378644668 /nfs/dbraw/zinc/64/46/68/378644668.db2.gz VLNAKPIBSJWGFU-VVLHAWIVSA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@](C)(C[N@@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953583 378644671 /nfs/dbraw/zinc/64/46/71/378644671.db2.gz VLNAKPIBSJWGFU-VVLHAWIVSA-N 2 1 282.472 3.139 20 0 CGADMP CC[C@](C)(C[N@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953583 378644673 /nfs/dbraw/zinc/64/46/73/378644673.db2.gz VLNAKPIBSJWGFU-VVLHAWIVSA-N 2 1 282.472 3.139 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638450772 378807944 /nfs/dbraw/zinc/80/79/44/378807944.db2.gz HGEYUCUHIVQLSR-MRXNPFEDSA-N 2 1 290.451 3.166 20 0 CGADMP Cc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000274330751 378812532 /nfs/dbraw/zinc/81/25/32/378812532.db2.gz FTDUDDVINBBCNP-UHFFFAOYSA-N 2 1 281.403 3.102 20 0 CGADMP CC(C)(C)[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000346824733 218024190 /nfs/dbraw/zinc/02/41/90/218024190.db2.gz CPERWWZLRSTPRC-UHFFFAOYSA-N 2 1 260.425 3.287 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)s1 ZINC000346827144 218025842 /nfs/dbraw/zinc/02/58/42/218025842.db2.gz FXNJHBPEKBZKAD-KGLIPLIRSA-N 2 1 264.438 3.193 20 0 CGADMP COc1ccc([C@H](C)C[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000346851096 218036190 /nfs/dbraw/zinc/03/61/90/218036190.db2.gz QFPSWCSJJFUBPY-MRXNPFEDSA-N 2 1 298.430 3.260 20 0 CGADMP COc1ccc([C@H](C)C[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000346851096 218036191 /nfs/dbraw/zinc/03/61/91/218036191.db2.gz QFPSWCSJJFUBPY-MRXNPFEDSA-N 2 1 298.430 3.260 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346854238 218038687 /nfs/dbraw/zinc/03/86/87/218038687.db2.gz TZPLKYALOWVBHL-MAZHCROVSA-N 2 1 278.827 3.126 20 0 CGADMP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000274631008 378865778 /nfs/dbraw/zinc/86/57/78/378865778.db2.gz RJSKAOCNTLAHGJ-CQSZACIVSA-N 2 1 273.424 3.058 20 0 CGADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000274469956 378837650 /nfs/dbraw/zinc/83/76/50/378837650.db2.gz VILRPYZPHGJAFD-HIFRSBDPSA-N 2 1 278.465 3.371 20 0 CGADMP c1ccc(CC2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000346904467 218054219 /nfs/dbraw/zinc/05/42/19/218054219.db2.gz LVVASDQMHIXZMY-QZTJIDSGSA-N 2 1 284.447 3.368 20 0 CGADMP C[C@H](CC[NH2+]CCC[C@H]1CCO1)[N@@H+](C)Cc1ccccc1 ZINC000638726413 378890111 /nfs/dbraw/zinc/89/01/11/378890111.db2.gz QSOGAYXKQVUUAS-AEFFLSMTSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347004649 218089691 /nfs/dbraw/zinc/08/96/91/218089691.db2.gz AIVBGFXYYVYJLS-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2occc2c1 ZINC000348333894 378914463 /nfs/dbraw/zinc/91/44/63/378914463.db2.gz CLUKOUKOJPVOSV-UHFFFAOYSA-N 2 1 272.392 3.351 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2occc2c1 ZINC000348333894 378914468 /nfs/dbraw/zinc/91/44/68/378914468.db2.gz CLUKOUKOJPVOSV-UHFFFAOYSA-N 2 1 272.392 3.351 20 0 CGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CCCc3ccccc31)C2 ZINC000275502667 378956849 /nfs/dbraw/zinc/95/68/49/378956849.db2.gz JRBGBHYIGWHNGR-WMLDXEAASA-N 2 1 281.403 3.113 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000347058549 218108526 /nfs/dbraw/zinc/10/85/26/218108526.db2.gz WQSKUCLWMDEUBL-HOCLYGCPSA-N 2 1 288.435 3.035 20 0 CGADMP CC[C@](C)(C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638973221 378963433 /nfs/dbraw/zinc/96/34/33/378963433.db2.gz YOTNSPPOASZQRF-YQQAZPJKSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000347131579 218133496 /nfs/dbraw/zinc/13/34/96/218133496.db2.gz RIPODYXACWSPCS-BEFAXECRSA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277390252 379146382 /nfs/dbraw/zinc/14/63/82/379146382.db2.gz YWABGRUAPWNTIV-BBRMVZONSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277390252 379146390 /nfs/dbraw/zinc/14/63/90/379146390.db2.gz YWABGRUAPWNTIV-BBRMVZONSA-N 2 1 264.388 3.303 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(C)c1 ZINC000349358671 379247065 /nfs/dbraw/zinc/24/70/65/379247065.db2.gz YHFDNSRKRGYTNU-UHFFFAOYSA-N 2 1 266.404 3.298 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000349379218 379259595 /nfs/dbraw/zinc/25/95/95/379259595.db2.gz BMNWTODYOSODLG-QZTJIDSGSA-N 2 1 283.419 3.317 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000349379218 379259601 /nfs/dbraw/zinc/25/96/01/379259601.db2.gz BMNWTODYOSODLG-QZTJIDSGSA-N 2 1 283.419 3.317 20 0 CGADMP CC[NH+](CC)CCC[N@H+](CC)C/C=C\c1ccncc1 ZINC000349419454 379277835 /nfs/dbraw/zinc/27/78/35/379277835.db2.gz PUTYUWHVZNEVJA-CLFYSBASSA-N 2 1 275.440 3.149 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](CC)C/C=C\c1ccncc1 ZINC000349419454 379277845 /nfs/dbraw/zinc/27/78/45/379277845.db2.gz PUTYUWHVZNEVJA-CLFYSBASSA-N 2 1 275.440 3.149 20 0 CGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C1CC(C)(C)C1 ZINC000569138121 322236730 /nfs/dbraw/zinc/23/67/30/322236730.db2.gz RBLYAMXDJIOGJI-UHFFFAOYSA-N 2 1 263.429 3.252 20 0 CGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C1CC(C)(C)C1 ZINC000569138121 322236733 /nfs/dbraw/zinc/23/67/33/322236733.db2.gz RBLYAMXDJIOGJI-UHFFFAOYSA-N 2 1 263.429 3.252 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279733887 379505171 /nfs/dbraw/zinc/50/51/71/379505171.db2.gz NWVYTZHGXTURSU-NUJGCVRESA-N 2 1 290.451 3.084 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000639760181 379572700 /nfs/dbraw/zinc/57/27/00/379572700.db2.gz TVAAVERMPAFCSB-UHFFFAOYSA-N 2 1 272.436 3.037 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000376798388 379605065 /nfs/dbraw/zinc/60/50/65/379605065.db2.gz GZCIZHCNPWYJFB-UHFFFAOYSA-N 2 1 299.393 3.322 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000267115270 190304719 /nfs/dbraw/zinc/30/47/19/190304719.db2.gz YVCRFYKHSVCSNQ-RUJXFNLJSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000267115270 190304720 /nfs/dbraw/zinc/30/47/20/190304720.db2.gz YVCRFYKHSVCSNQ-RUJXFNLJSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000267115270 190304721 /nfs/dbraw/zinc/30/47/21/190304721.db2.gz YVCRFYKHSVCSNQ-RUJXFNLJSA-N 2 1 272.436 3.364 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000267115270 190304722 /nfs/dbraw/zinc/30/47/22/190304722.db2.gz YVCRFYKHSVCSNQ-RUJXFNLJSA-N 2 1 272.436 3.364 20 0 CGADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C2 ZINC000377413101 379676569 /nfs/dbraw/zinc/67/65/69/379676569.db2.gz QEHMDUBSOQKCTK-ULQDDVLXSA-N 2 1 295.430 3.268 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000377412753 379677055 /nfs/dbraw/zinc/67/70/55/379677055.db2.gz OLGOMEMPUMOCPX-IAQYHMDHSA-N 2 1 285.391 3.163 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(C)c1 ZINC000377414386 379677861 /nfs/dbraw/zinc/67/78/61/379677861.db2.gz XOUVNBBFMVXPDL-INIZCTEOSA-N 2 1 283.419 3.335 20 0 CGADMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000267258775 190315532 /nfs/dbraw/zinc/31/55/32/190315532.db2.gz PSJQLLCHPGXORI-AWEZNQCLSA-N 2 1 288.435 3.363 20 0 CGADMP CCCC[C@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000352411606 379801199 /nfs/dbraw/zinc/80/11/99/379801199.db2.gz YOJHFOPOPGPOPT-AWEZNQCLSA-N 2 1 251.418 3.482 20 0 CGADMP CCCC[C@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000352411606 379801211 /nfs/dbraw/zinc/80/12/11/379801211.db2.gz YOJHFOPOPGPOPT-AWEZNQCLSA-N 2 1 251.418 3.482 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280857505 379807400 /nfs/dbraw/zinc/80/74/00/379807400.db2.gz MYMLVAZRDBYDAJ-KSSFIOAISA-N 2 1 298.434 3.354 20 0 CGADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280731876 379775205 /nfs/dbraw/zinc/77/52/05/379775205.db2.gz GYZKVPHBPZQVPS-LEUOFYLZSA-N 2 1 288.410 3.288 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000387654087 379878633 /nfs/dbraw/zinc/87/86/33/379878633.db2.gz LINIINRCDKKBGF-JYJNAYRXSA-N 2 1 250.430 3.172 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000399863907 379946169 /nfs/dbraw/zinc/94/61/69/379946169.db2.gz FEUUYMOYXHBAHY-LSDHHAIUSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1scc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000399863907 379946174 /nfs/dbraw/zinc/94/61/74/379946174.db2.gz FEUUYMOYXHBAHY-LSDHHAIUSA-N 2 1 264.438 3.081 20 0 CGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)cn1 ZINC000352787671 379960461 /nfs/dbraw/zinc/96/04/61/379960461.db2.gz GSIGBECAJNOABK-HNNXBMFYSA-N 2 1 290.386 3.247 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410378001 380090835 /nfs/dbraw/zinc/09/08/35/380090835.db2.gz JSFFHZUPXAQGRT-HZPDHXFCSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000283167333 380040127 /nfs/dbraw/zinc/04/01/27/380040127.db2.gz IZAYSFMMBKABLN-CTXUPJPISA-N 2 1 286.463 3.499 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000284583729 380141105 /nfs/dbraw/zinc/14/11/05/380141105.db2.gz ZTBJHVOVAZCSNG-WMZOPIPTSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000284583729 380141109 /nfs/dbraw/zinc/14/11/09/380141109.db2.gz ZTBJHVOVAZCSNG-WMZOPIPTSA-N 2 1 290.451 3.038 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC000410393517 380093860 /nfs/dbraw/zinc/09/38/60/380093860.db2.gz WQENBGJQRMVYFH-INIZCTEOSA-N 2 1 266.473 3.476 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000414189199 380199453 /nfs/dbraw/zinc/19/94/53/380199453.db2.gz QQMGOZHOKBBGIP-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000414194369 380201610 /nfs/dbraw/zinc/20/16/10/380201610.db2.gz VIOBPZXEFRIBLD-XOYOTBSWSA-N 2 1 286.463 3.356 20 0 CGADMP CCc1cccc(F)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000353944533 380247582 /nfs/dbraw/zinc/24/75/82/380247582.db2.gz KALWXIDJKXYUKO-CYBMUJFWSA-N 2 1 289.398 3.319 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353953589 380252817 /nfs/dbraw/zinc/25/28/17/380252817.db2.gz GHLCHKNANUOYKJ-RYUDHWBXSA-N 2 1 278.362 3.039 20 0 CGADMP Cc1occc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414430912 380231653 /nfs/dbraw/zinc/23/16/53/380231653.db2.gz MXSUYTAVHIPKFU-XJKSGUPXSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1occc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000414430912 380231658 /nfs/dbraw/zinc/23/16/58/380231658.db2.gz MXSUYTAVHIPKFU-XJKSGUPXSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502018 380325012 /nfs/dbraw/zinc/32/50/12/380325012.db2.gz VWUHKHNYQLBPBM-ZWKOTPCHSA-N 2 1 272.436 3.048 20 0 CGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cscc2Cl)C[C@@H]1C[NH3+] ZINC000643427666 380304675 /nfs/dbraw/zinc/30/46/75/380304675.db2.gz SWENSPXZLBLNEC-VWYCJHECSA-N 2 1 272.845 3.207 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cscc2Cl)C[C@@H]1C[NH3+] ZINC000643427666 380304679 /nfs/dbraw/zinc/30/46/79/380304679.db2.gz SWENSPXZLBLNEC-VWYCJHECSA-N 2 1 272.845 3.207 20 0 CGADMP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000414613125 380336069 /nfs/dbraw/zinc/33/60/69/380336069.db2.gz FKQNKINJXCRFFP-KGLIPLIRSA-N 2 1 292.427 3.195 20 0 CGADMP Cc1ccc(CCC[NH2+][C@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000643457082 380309937 /nfs/dbraw/zinc/30/99/37/380309937.db2.gz QLKWYJHAYCAWJC-OAHLLOKOSA-N 2 1 283.419 3.394 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccccc2)C[C@H]1C ZINC000354205278 380364635 /nfs/dbraw/zinc/36/46/35/380364635.db2.gz HTCVQNCREUJFAE-SJORKVTESA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccccc2)C[C@H]1C ZINC000354205278 380364640 /nfs/dbraw/zinc/36/46/40/380364640.db2.gz HTCVQNCREUJFAE-SJORKVTESA-N 2 1 290.451 3.260 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2ccccc2)C[C@H]1C ZINC000354205278 380364644 /nfs/dbraw/zinc/36/46/44/380364644.db2.gz HTCVQNCREUJFAE-SJORKVTESA-N 2 1 290.451 3.260 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)oc1C ZINC000643548877 380365438 /nfs/dbraw/zinc/36/54/38/380365438.db2.gz WSZPUXLBUOSMJM-OCCSQVGLSA-N 2 1 262.397 3.222 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414679563 380369673 /nfs/dbraw/zinc/36/96/73/380369673.db2.gz LROXEQRZQKCXDO-UPJWGTAASA-N 2 1 282.378 3.346 20 0 CGADMP COc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)c1 ZINC000414681932 380370287 /nfs/dbraw/zinc/37/02/87/380370287.db2.gz QDCJGIBSJSQSCP-RDJZCZTQSA-N 2 1 276.424 3.206 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)c1 ZINC000414681932 380370295 /nfs/dbraw/zinc/37/02/95/380370295.db2.gz QDCJGIBSJSQSCP-RDJZCZTQSA-N 2 1 276.424 3.206 20 0 CGADMP CC[N@H+](Cc1cccc(F)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414684125 380372273 /nfs/dbraw/zinc/37/22/73/380372273.db2.gz UVWVIZCGRXYPBU-ZFWWWQNUSA-N 2 1 264.388 3.036 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2nc3ccccc3s2)CC[NH2+]1 ZINC000414685072 380372576 /nfs/dbraw/zinc/37/25/76/380372576.db2.gz XSEYLJVSWHYAQC-QWHCGFSZSA-N 2 1 289.448 3.116 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC000414694689 380378558 /nfs/dbraw/zinc/37/85/58/380378558.db2.gz NLQUIQMHMHYGDT-FMKPAKJESA-N 2 1 276.399 3.003 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000414698934 380380389 /nfs/dbraw/zinc/38/03/89/380380389.db2.gz DNUVZJMYNQCDRV-AWEZNQCLSA-N 2 1 252.377 3.024 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000414707756 380381632 /nfs/dbraw/zinc/38/16/32/380381632.db2.gz NFZVEJNWOKUBOR-LBPRGKRZSA-N 2 1 270.367 3.163 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)c1cccc(OC)c1 ZINC000414704679 380381825 /nfs/dbraw/zinc/38/18/25/380381825.db2.gz MRADQVNFWXGAPY-ARFHVFGLSA-N 2 1 290.451 3.466 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCC2CCCCC2)CC[NH2+]1 ZINC000414703864 380381855 /nfs/dbraw/zinc/38/18/55/380381855.db2.gz YLHWFVVQEXWPCT-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000414712004 380383339 /nfs/dbraw/zinc/38/33/39/380383339.db2.gz IMWCSPHZGDINLC-ZDUSSCGKSA-N 2 1 284.806 3.443 20 0 CGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC000414756404 380393174 /nfs/dbraw/zinc/39/31/74/380393174.db2.gz QRGBXQGIBLEIBF-NEPJUHHUSA-N 2 1 284.806 3.299 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1F ZINC000643522233 380338195 /nfs/dbraw/zinc/33/81/95/380338195.db2.gz KEZYKQZZDDZHJO-CZUORRHYSA-N 2 1 282.378 3.394 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000643525887 380340635 /nfs/dbraw/zinc/34/06/35/380340635.db2.gz GTDFRWBTPKTLIM-KGLIPLIRSA-N 2 1 270.376 3.477 20 0 CGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528314 380345186 /nfs/dbraw/zinc/34/51/86/380345186.db2.gz GYOMUJSUJDYYQX-UWVGGRQHSA-N 2 1 293.411 3.255 20 0 CGADMP C[C@@H]([NH3+])C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000643529111 380346731 /nfs/dbraw/zinc/34/67/31/380346731.db2.gz VIFBWBINBCOMBO-QAPCUYQASA-N 2 1 268.404 3.297 20 0 CGADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414652001 380352542 /nfs/dbraw/zinc/35/25/42/380352542.db2.gz CTAVCJKMMWMVPC-CRAIPNDOSA-N 2 1 274.452 3.412 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)c(F)c(F)c1 ZINC000643545825 380357274 /nfs/dbraw/zinc/35/72/74/380357274.db2.gz CQXGVDZGHAPCCE-JQWIXIFHSA-N 2 1 298.352 3.429 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccccc2C1)C1CCCC1 ZINC000643543505 380357390 /nfs/dbraw/zinc/35/73/90/380357390.db2.gz POUMQNYNXZFTGQ-ROUUACIJSA-N 2 1 272.436 3.041 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1Oc1cccnc1 ZINC000414811803 380424054 /nfs/dbraw/zinc/42/40/54/380424054.db2.gz WOUCLEMWPKAATN-KRWDZBQOSA-N 2 1 297.402 3.009 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414818374 380430066 /nfs/dbraw/zinc/43/00/66/380430066.db2.gz VLULFGWKLXLWOH-QGZVFWFLSA-N 2 1 283.419 3.356 20 0 CGADMP CC(C)CC[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000644522415 380438767 /nfs/dbraw/zinc/43/87/67/380438767.db2.gz VSNVNPZXROBQBG-IRXDYDNUSA-N 2 1 284.488 3.028 20 0 CGADMP Cc1cc(Cl)ccc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414837717 380446288 /nfs/dbraw/zinc/44/62/88/380446288.db2.gz JPOHUAXCOSKCDS-AWEZNQCLSA-N 2 1 254.805 3.111 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CCCCC1 ZINC000414845095 380450359 /nfs/dbraw/zinc/45/03/59/380450359.db2.gz QNUXJYCHDIOQEC-UHFFFAOYSA-N 2 1 295.430 3.500 20 0 CGADMP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414774735 380398160 /nfs/dbraw/zinc/39/81/60/380398160.db2.gz FVSMNAJOZMBIDJ-TYWJTISVSA-N 2 1 288.410 3.160 20 0 CGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414785598 380403260 /nfs/dbraw/zinc/40/32/60/380403260.db2.gz SVLMUOUZPNHIID-RYUDHWBXSA-N 2 1 284.856 3.223 20 0 CGADMP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781466 380403655 /nfs/dbraw/zinc/40/36/55/380403655.db2.gz MYIVQVMXVNQPPG-CHWSQXEVSA-N 2 1 296.817 3.301 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000414792217 380406330 /nfs/dbraw/zinc/40/63/30/380406330.db2.gz BYJSICXCANBKQB-GOSISDBHSA-N 2 1 266.388 3.181 20 0 CGADMP CCc1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414790432 380407039 /nfs/dbraw/zinc/40/70/39/380407039.db2.gz ZUUDYPZNSRYFPM-HOTGVXAUSA-N 2 1 290.426 3.210 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000414790334 380407536 /nfs/dbraw/zinc/40/75/36/380407536.db2.gz ZPVRXWUDQVDQAY-WMZOPIPTSA-N 2 1 272.436 3.125 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C[C@@H](c2ccccc2)C1 ZINC000414794213 380408242 /nfs/dbraw/zinc/40/82/42/380408242.db2.gz FKHXXNIPFMUXKF-XDKFSHSGSA-N 2 1 272.436 3.286 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000414810914 380422340 /nfs/dbraw/zinc/42/23/40/380422340.db2.gz YIBIJUHQRPXMII-UHFFFAOYSA-N 2 1 274.330 3.313 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414810785 380422686 /nfs/dbraw/zinc/42/26/86/380422686.db2.gz OJAXVEUNAJXYDC-UHFFFAOYSA-N 2 1 291.826 3.495 20 0 CGADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414932085 380493040 /nfs/dbraw/zinc/49/30/40/380493040.db2.gz SGCLYFGOPBTNGX-WDEREUQCSA-N 2 1 266.351 3.085 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414933476 380495906 /nfs/dbraw/zinc/49/59/06/380495906.db2.gz APJMQZKOOORFTF-LEUOFYLZSA-N 2 1 272.436 3.227 20 0 CGADMP Cc1cc2cc(C[NH2+]C3(C)CC[NH2+]CC3)oc2cc1C ZINC000414939835 380497885 /nfs/dbraw/zinc/49/78/85/380497885.db2.gz JWQYRQCPCWOKCV-UHFFFAOYSA-N 2 1 272.392 3.281 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000414948022 380503061 /nfs/dbraw/zinc/50/30/61/380503061.db2.gz WJWWLVROJZKCFQ-LPHOPBHVSA-N 2 1 282.431 3.167 20 0 CGADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866226 380465206 /nfs/dbraw/zinc/46/52/06/380465206.db2.gz MQWHOCCJGIYFPY-GHMZBOCLSA-N 2 1 272.845 3.064 20 0 CGADMP C[C@@H](CC[NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000414888885 380475816 /nfs/dbraw/zinc/47/58/16/380475816.db2.gz YHEFEUHRKCBLLA-KRWDZBQOSA-N 2 1 297.446 3.345 20 0 CGADMP c1nc(-c2ccccc2)sc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414906900 380483582 /nfs/dbraw/zinc/48/35/82/380483582.db2.gz PZYUCXYYQMKOOS-CQSZACIVSA-N 2 1 287.432 3.042 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000268830905 190438980 /nfs/dbraw/zinc/43/89/80/190438980.db2.gz SGGRSRRFQGBIKU-PXAZEXFGSA-N 2 1 287.382 3.244 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CC1(C)C ZINC000417318945 380591342 /nfs/dbraw/zinc/59/13/42/380591342.db2.gz ZUKUPONULQNHQK-ZACQAIPSSA-N 2 1 296.499 3.028 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCC(C)(C)C ZINC000646028681 380808391 /nfs/dbraw/zinc/80/83/91/380808391.db2.gz QSFPADQHCAACRZ-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCC(C)(C)C ZINC000646028681 380808399 /nfs/dbraw/zinc/80/83/99/380808399.db2.gz QSFPADQHCAACRZ-UHFFFAOYSA-N 2 1 251.418 3.340 20 0 CGADMP c1ccc2c(c1)CCC[C@]21CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420307577 380844309 /nfs/dbraw/zinc/84/43/09/380844309.db2.gz RLPZQHNMGPILAY-FXAWDEMLSA-N 2 1 298.474 3.356 20 0 CGADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000420383332 380850986 /nfs/dbraw/zinc/85/09/86/380850986.db2.gz ZHEVOFJJXLDFIY-LBPRGKRZSA-N 2 1 269.458 3.177 20 0 CGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000420383332 380850997 /nfs/dbraw/zinc/85/09/97/380850997.db2.gz ZHEVOFJJXLDFIY-LBPRGKRZSA-N 2 1 269.458 3.177 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420421727 380851963 /nfs/dbraw/zinc/85/19/63/380851963.db2.gz YSLBYGNRNDPHIY-MQIPJXDCSA-N 2 1 282.378 3.333 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420421727 380851973 /nfs/dbraw/zinc/85/19/73/380851973.db2.gz YSLBYGNRNDPHIY-MQIPJXDCSA-N 2 1 282.378 3.333 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000356835179 380891308 /nfs/dbraw/zinc/89/13/08/380891308.db2.gz CHIXCNADVMXZQS-ZFWWWQNUSA-N 2 1 294.414 3.359 20 0 CGADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000356835179 380891310 /nfs/dbraw/zinc/89/13/10/380891310.db2.gz CHIXCNADVMXZQS-ZFWWWQNUSA-N 2 1 294.414 3.359 20 0 CGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357066989 381018077 /nfs/dbraw/zinc/01/80/77/381018077.db2.gz DIOZHKZSUCSNAX-OAHLLOKOSA-N 2 1 298.430 3.341 20 0 CGADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c2cc(F)ccc2[nH+]1 ZINC000357533036 381199025 /nfs/dbraw/zinc/19/90/25/381199025.db2.gz PKXCSVNJCWNDRZ-GXTWGEPZSA-N 2 1 299.393 3.141 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000360496942 381561789 /nfs/dbraw/zinc/56/17/89/381561789.db2.gz WADNTICOMCHXSG-LBPRGKRZSA-N 2 1 293.480 3.427 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](CC1CC1)CC1CCC1 ZINC000361564583 381806982 /nfs/dbraw/zinc/80/69/82/381806982.db2.gz JVCVUENOFQYQBL-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](CC1CC1)CC1CCC1 ZINC000361564583 381806985 /nfs/dbraw/zinc/80/69/85/381806985.db2.gz JVCVUENOFQYQBL-UHFFFAOYSA-N 2 1 261.413 3.094 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccs2)C[C@@H]1C ZINC000740885044 572466097 /nfs/dbraw/zinc/46/60/97/572466097.db2.gz YKDRNPVQXNSJKK-UONOGXRCSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccs2)C[C@@H]1C ZINC000740885044 572466101 /nfs/dbraw/zinc/46/61/01/572466101.db2.gz YKDRNPVQXNSJKK-UONOGXRCSA-N 2 1 266.454 3.095 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccs2)C[C@@H]1C ZINC000740885044 572466105 /nfs/dbraw/zinc/46/61/05/572466105.db2.gz YKDRNPVQXNSJKK-UONOGXRCSA-N 2 1 266.454 3.095 20 0 CGADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000227403075 542292846 /nfs/dbraw/zinc/29/28/46/542292846.db2.gz RZCSISQHRWKILW-TYNCELHUSA-N 2 1 279.428 3.253 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ncsc2c1 ZINC000362712908 382104746 /nfs/dbraw/zinc/10/47/46/382104746.db2.gz BYEWHQIEFYTAFR-SGMGOOAPSA-N 2 1 289.448 3.430 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ncsc2c1 ZINC000362712908 382104748 /nfs/dbraw/zinc/10/47/48/382104748.db2.gz BYEWHQIEFYTAFR-SGMGOOAPSA-N 2 1 289.448 3.430 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccc(C)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000233958336 542309176 /nfs/dbraw/zinc/30/91/76/542309176.db2.gz NGOZSQAFEZRHQZ-HIFRSBDPSA-N 2 1 266.816 3.208 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000233958336 542309179 /nfs/dbraw/zinc/30/91/79/542309179.db2.gz NGOZSQAFEZRHQZ-HIFRSBDPSA-N 2 1 266.816 3.208 20 0 CGADMP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000249017560 542338403 /nfs/dbraw/zinc/33/84/03/542338403.db2.gz JOCIPKPABYIMQM-MZMPZRCHSA-N 2 1 299.418 3.399 20 0 CGADMP Cc1ccsc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250872454 542344786 /nfs/dbraw/zinc/34/47/86/542344786.db2.gz METOQNMLEDZENG-UONOGXRCSA-N 2 1 264.438 3.021 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423261637 533001521 /nfs/dbraw/zinc/00/15/21/533001521.db2.gz KJWJVHIHPUUZSQ-OCCSQVGLSA-N 2 1 266.454 3.433 20 0 CGADMP C[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000335335055 208215747 /nfs/dbraw/zinc/21/57/47/208215747.db2.gz MNLGAJDDSQSHIS-MFKMUULPSA-N 2 1 278.783 3.255 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000335335055 208215752 /nfs/dbraw/zinc/21/57/52/208215752.db2.gz MNLGAJDDSQSHIS-MFKMUULPSA-N 2 1 278.783 3.255 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743216 220292884 /nfs/dbraw/zinc/29/28/84/220292884.db2.gz BOGOFHHWTYOZHZ-YOEHRIQHSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743216 220292885 /nfs/dbraw/zinc/29/28/85/220292885.db2.gz BOGOFHHWTYOZHZ-YOEHRIQHSA-N 2 1 285.435 3.473 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743216 220292887 /nfs/dbraw/zinc/29/28/87/220292887.db2.gz BOGOFHHWTYOZHZ-YOEHRIQHSA-N 2 1 285.435 3.473 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(C)c2)C[C@H]1C ZINC000353751296 220304859 /nfs/dbraw/zinc/30/48/59/220304859.db2.gz XUWFNERSSKJIJI-GDBMZVCRSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(C)c2)C[C@H]1C ZINC000353751296 220304861 /nfs/dbraw/zinc/30/48/61/220304861.db2.gz XUWFNERSSKJIJI-GDBMZVCRSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C)c2)C[C@H]1C ZINC000353751296 220304863 /nfs/dbraw/zinc/30/48/63/220304863.db2.gz XUWFNERSSKJIJI-GDBMZVCRSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C)c2)C[C@H]1C ZINC000353751296 220304865 /nfs/dbraw/zinc/30/48/65/220304865.db2.gz XUWFNERSSKJIJI-GDBMZVCRSA-N 2 1 278.415 3.439 20 0 CGADMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1F ZINC000289213932 197264540 /nfs/dbraw/zinc/26/45/40/197264540.db2.gz CDOYLGSLHAQRHI-XYPWUTKMSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1F ZINC000289213932 197264541 /nfs/dbraw/zinc/26/45/41/197264541.db2.gz CDOYLGSLHAQRHI-XYPWUTKMSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000289213932 197264543 /nfs/dbraw/zinc/26/45/43/197264543.db2.gz CDOYLGSLHAQRHI-XYPWUTKMSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000289213932 197264544 /nfs/dbraw/zinc/26/45/44/197264544.db2.gz CDOYLGSLHAQRHI-XYPWUTKMSA-N 2 1 276.399 3.191 20 0 CGADMP Cc1ccncc1CCC[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000289238257 197271600 /nfs/dbraw/zinc/27/16/00/197271600.db2.gz ZHXRVSOOCMDZEL-UHFFFAOYSA-N 3 1 289.467 3.127 20 0 CGADMP Cc1ccncc1CCC[N@H+](C)C1CCN(C(C)C)CC1 ZINC000289238257 197271601 /nfs/dbraw/zinc/27/16/01/197271601.db2.gz ZHXRVSOOCMDZEL-UHFFFAOYSA-N 3 1 289.467 3.127 20 0 CGADMP Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309893955 542428020 /nfs/dbraw/zinc/42/80/20/542428020.db2.gz NIIRQYAMHYXPED-GOSISDBHSA-N 2 1 296.414 3.004 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000312001604 542431752 /nfs/dbraw/zinc/43/17/52/542431752.db2.gz GVPYYKWFDMPDEC-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2scnc2C2CC2)CC1 ZINC000336584144 542478586 /nfs/dbraw/zinc/47/85/86/542478586.db2.gz ZGRNFHGNHLCXKW-UHFFFAOYSA-N 2 1 291.464 3.081 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cccs1 ZINC000339073127 542486124 /nfs/dbraw/zinc/48/61/24/542486124.db2.gz AEQWBBHDBYSHFD-ZNMIVQPWSA-N 2 1 278.465 3.143 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423502905 533248325 /nfs/dbraw/zinc/24/83/25/533248325.db2.gz FNNDHDGBTJHOGS-ZWKOTPCHSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310695 533429731 /nfs/dbraw/zinc/42/97/31/533429731.db2.gz ASNGIFULXVMGSM-RNCFNFMXSA-N 2 1 272.314 3.093 20 0 CGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423327726 533438429 /nfs/dbraw/zinc/43/84/29/533438429.db2.gz LSHWWMNVCHZPKT-MEBBXXQBSA-N 2 1 286.341 3.144 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(OC(F)F)c1 ZINC000423497936 533537026 /nfs/dbraw/zinc/53/70/26/533537026.db2.gz ANUMWGIWYGWITL-IAQYHMDHSA-N 2 1 298.377 3.456 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(F)c1 ZINC000423259507 533537246 /nfs/dbraw/zinc/53/72/46/533537246.db2.gz FBBHVPZLAGCOKK-MLGOLLRUSA-N 2 1 264.388 3.384 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441356589 533622638 /nfs/dbraw/zinc/62/26/38/533622638.db2.gz MIHSGMRNUKBORQ-FGTMMUONSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441356589 533622640 /nfs/dbraw/zinc/62/26/40/533622640.db2.gz MIHSGMRNUKBORQ-FGTMMUONSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441356589 533622646 /nfs/dbraw/zinc/62/26/46/533622646.db2.gz MIHSGMRNUKBORQ-FGTMMUONSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441356589 533622653 /nfs/dbraw/zinc/62/26/53/533622653.db2.gz MIHSGMRNUKBORQ-FGTMMUONSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCSc2ccccc2)CC[N@H+]1C ZINC000358086771 533646179 /nfs/dbraw/zinc/64/61/79/533646179.db2.gz OSUYEZWXRRRAFC-CABCVRRESA-N 2 1 278.465 3.241 20 0 CGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423513987 533652140 /nfs/dbraw/zinc/65/21/40/533652140.db2.gz WCFTYKIDTZKBGV-SJCJKPOMSA-N 2 1 296.405 3.393 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccsc1 ZINC000191187983 130198862 /nfs/dbraw/zinc/19/88/62/130198862.db2.gz VCAORUSHANTQMT-CQSZACIVSA-N 2 1 252.427 3.273 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000191832155 130313464 /nfs/dbraw/zinc/31/34/64/130313464.db2.gz PULRJTUVQQYZBA-DEYYWGMASA-N 2 1 299.418 3.256 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000191832116 130313619 /nfs/dbraw/zinc/31/36/19/130313619.db2.gz PULRJTUVQQYZBA-PMUMKWKESA-N 2 1 299.418 3.256 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000054077360 392088287 /nfs/dbraw/zinc/08/82/87/392088287.db2.gz MCDPXEGVROTIMG-CABCVRRESA-N 2 1 252.446 3.419 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000066152364 392151866 /nfs/dbraw/zinc/15/18/66/392151866.db2.gz SYOMJMPPXLGRGI-MRXNPFEDSA-N 2 1 290.451 3.297 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000066152364 392151869 /nfs/dbraw/zinc/15/18/69/392151869.db2.gz SYOMJMPPXLGRGI-MRXNPFEDSA-N 2 1 290.451 3.297 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000070169402 392178127 /nfs/dbraw/zinc/17/81/27/392178127.db2.gz TYOZNMWHNLTOKC-RHSMWYFYSA-N 2 1 258.409 3.125 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000071122056 392188643 /nfs/dbraw/zinc/18/86/43/392188643.db2.gz CASRKBJUFODVAX-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000071122056 392188646 /nfs/dbraw/zinc/18/86/46/392188646.db2.gz CASRKBJUFODVAX-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC000105443835 392289472 /nfs/dbraw/zinc/28/94/72/392289472.db2.gz IVIQBDTZNQPXKP-CQSZACIVSA-N 2 1 271.408 3.234 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000105442608 392289694 /nfs/dbraw/zinc/28/96/94/392289694.db2.gz XBHJIFKDKHALSP-JTQLQIEISA-N 2 1 297.324 3.035 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC000105443828 392289811 /nfs/dbraw/zinc/28/98/11/392289811.db2.gz PYOSPSFDSQGBKM-CQSZACIVSA-N 2 1 271.408 3.234 20 0 CGADMP CC(C)(C)c1ncc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000109459415 392355693 /nfs/dbraw/zinc/35/56/93/392355693.db2.gz NXMIVHUKTMQWRE-CHWSQXEVSA-N 2 1 293.480 3.157 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000109459415 392355700 /nfs/dbraw/zinc/35/57/00/392355700.db2.gz NXMIVHUKTMQWRE-CHWSQXEVSA-N 2 1 293.480 3.157 20 0 CGADMP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000109459415 392355705 /nfs/dbraw/zinc/35/57/05/392355705.db2.gz NXMIVHUKTMQWRE-CHWSQXEVSA-N 2 1 293.480 3.157 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000249373112 131120783 /nfs/dbraw/zinc/12/07/83/131120783.db2.gz FGPJKZUCASHMQO-OLZOCXBDSA-N 2 1 266.816 3.332 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000249373228 131121640 /nfs/dbraw/zinc/12/16/40/131121640.db2.gz FODKIXACEAEKKB-TZMCWYRMSA-N 2 1 266.454 3.357 20 0 CGADMP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453337763 542680896 /nfs/dbraw/zinc/68/08/96/542680896.db2.gz ZYFVHHMXOXLSRX-OALUTQOASA-N 2 1 295.430 3.315 20 0 CGADMP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453337763 542680899 /nfs/dbraw/zinc/68/08/99/542680899.db2.gz ZYFVHHMXOXLSRX-OALUTQOASA-N 2 1 295.430 3.315 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000453392840 542682534 /nfs/dbraw/zinc/68/25/34/542682534.db2.gz URLXXVCVESELBD-RDGPPVDQSA-N 2 1 284.447 3.458 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000453392840 542682538 /nfs/dbraw/zinc/68/25/38/542682538.db2.gz URLXXVCVESELBD-RDGPPVDQSA-N 2 1 284.447 3.458 20 0 CGADMP CCC[C@H](N[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)cc1F ZINC000361980278 392380918 /nfs/dbraw/zinc/38/09/18/392380918.db2.gz JEJFJGWOUOITJH-XFBWCDHKSA-N 2 1 282.378 3.346 20 0 CGADMP CCC[C@H](N[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000361980275 392380989 /nfs/dbraw/zinc/38/09/89/392380989.db2.gz JEJFJGWOUOITJH-KNXALSJPSA-N 2 1 282.378 3.346 20 0 CGADMP C([NH2+]C[C@@H]1CCSC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366661552 392456736 /nfs/dbraw/zinc/45/67/36/392456736.db2.gz CYLGPRKEKUEMCT-GOEBONIOSA-N 2 1 282.497 3.126 20 0 CGADMP Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2[nH+]1 ZINC000292356780 392503036 /nfs/dbraw/zinc/50/30/36/392503036.db2.gz RATXHANFORHADK-GOSISDBHSA-N 2 1 281.403 3.075 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccon2)CC1 ZINC000158902442 392578846 /nfs/dbraw/zinc/57/88/46/392578846.db2.gz VPZVSOUHEVEVRU-OAHLLOKOSA-N 2 1 291.439 3.151 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccon2)CC1 ZINC000158902442 392578854 /nfs/dbraw/zinc/57/88/54/392578854.db2.gz VPZVSOUHEVEVRU-OAHLLOKOSA-N 2 1 291.439 3.151 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000164785236 392607003 /nfs/dbraw/zinc/60/70/03/392607003.db2.gz HXANEHFAAUVIKF-KEYYUXOJSA-N 2 1 292.442 3.422 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000647325178 392667839 /nfs/dbraw/zinc/66/78/39/392667839.db2.gz YNCHESANVWFUJV-MTHXSQLBSA-N 2 1 284.447 3.253 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000177931857 392668690 /nfs/dbraw/zinc/66/86/90/392668690.db2.gz QRJNESYVPXJQEM-HOCLYGCPSA-N 2 1 294.414 3.057 20 0 CGADMP CCCCc1oc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479948835 542705837 /nfs/dbraw/zinc/70/58/37/542705837.db2.gz WNUQEDODISQKTD-GASCZTMLSA-N 2 1 298.430 3.427 20 0 CGADMP CC(C)C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccncc1 ZINC000647295508 392647910 /nfs/dbraw/zinc/64/79/10/392647910.db2.gz MYEPTYSFIBHMHG-KRWDZBQOSA-N 2 1 273.424 3.020 20 0 CGADMP FC(F)(F)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647483080 392739352 /nfs/dbraw/zinc/73/93/52/392739352.db2.gz XPBVAIQKOZXSGL-UHFFFAOYSA-N 2 1 298.352 3.422 20 0 CGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647497782 392740754 /nfs/dbraw/zinc/74/07/54/392740754.db2.gz VEDXBWCWXKRPJS-CJNGLKHVSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647497782 392740756 /nfs/dbraw/zinc/74/07/56/392740756.db2.gz VEDXBWCWXKRPJS-CJNGLKHVSA-N 2 1 280.843 3.462 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000647498426 392742950 /nfs/dbraw/zinc/74/29/50/392742950.db2.gz GWVHVLGBHOJOAI-ZBFHGGJFSA-N 2 1 276.424 3.033 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000647498426 392742953 /nfs/dbraw/zinc/74/29/53/392742953.db2.gz GWVHVLGBHOJOAI-ZBFHGGJFSA-N 2 1 276.424 3.033 20 0 CGADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2csc3ccccc23)C1 ZINC000647550172 392764243 /nfs/dbraw/zinc/76/42/43/392764243.db2.gz DHJIVYYVUZAQKD-TZMCWYRMSA-N 2 1 274.433 3.031 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2C2CCC2)CC[NH2+]1 ZINC000647553186 392765755 /nfs/dbraw/zinc/76/57/55/392765755.db2.gz GTLBWJZHQSSFLV-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647936759 392837922 /nfs/dbraw/zinc/83/79/22/392837922.db2.gz KTKGWYXOSHRGCY-WFASDCNBSA-N 2 1 298.883 3.491 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2c(C)cccc2C)CC[C@H]1[NH3+] ZINC000647937133 392839253 /nfs/dbraw/zinc/83/92/53/392839253.db2.gz RHHDLCKPPXOYOD-DLBZAZTESA-N 2 1 290.451 3.132 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389341 392797225 /nfs/dbraw/zinc/79/72/25/392797225.db2.gz MLPNKVCVGVTUGV-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389341 392797226 /nfs/dbraw/zinc/79/72/26/392797226.db2.gz MLPNKVCVGVTUGV-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389341 392797227 /nfs/dbraw/zinc/79/72/27/392797227.db2.gz MLPNKVCVGVTUGV-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389341 392797228 /nfs/dbraw/zinc/79/72/28/392797228.db2.gz MLPNKVCVGVTUGV-KSSFIOAISA-N 2 1 290.426 3.477 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCSC2CCCCC2)CC1 ZINC000375693339 392805287 /nfs/dbraw/zinc/80/52/87/392805287.db2.gz PMMCEXLLUOBSPE-OAHLLOKOSA-N 2 1 284.513 3.468 20 0 CGADMP C[N@@H+](CCC[NH3+])CCOC(c1ccccc1)c1ccccc1 ZINC000647849266 392813027 /nfs/dbraw/zinc/81/30/27/392813027.db2.gz NGMJGMCTNLTFPO-UHFFFAOYSA-N 2 1 298.430 3.073 20 0 CGADMP C[N@@H+](CCc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375760200 392816793 /nfs/dbraw/zinc/81/67/93/392816793.db2.gz FJCDTNSOXJJOOL-YIONKMFJSA-N 2 1 294.389 3.064 20 0 CGADMP C[N@H+]1CC[C@@H](Nc2[nH+]ccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000647873807 392818476 /nfs/dbraw/zinc/81/84/76/392818476.db2.gz IBQFAVAMQWNBOX-SJORKVTESA-N 2 1 292.386 3.420 20 0 CGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(OC)cc1 ZINC000647880958 392822376 /nfs/dbraw/zinc/82/23/76/392822376.db2.gz IWWMFUZLNZJSGO-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000647886740 392826072 /nfs/dbraw/zinc/82/60/72/392826072.db2.gz PFHYGXGRYYWJHD-CYBMUJFWSA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@@H]1CC[NH2+]C1 ZINC000647888056 392827214 /nfs/dbraw/zinc/82/72/14/392827214.db2.gz GIDSPSCKCYZFEI-NVXWUHKLSA-N 2 1 272.436 3.459 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC000520243191 392914297 /nfs/dbraw/zinc/91/42/97/392914297.db2.gz VOTFGSMJVHGWTK-AJHXJQRKSA-N 2 1 269.392 3.131 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCSc1ccc(Cl)cc1 ZINC000520247842 392914454 /nfs/dbraw/zinc/91/44/54/392914454.db2.gz GQFNZEYWXFFUQM-WCQYABFASA-N 2 1 284.856 3.244 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC1CCCCC1 ZINC000647961385 392845431 /nfs/dbraw/zinc/84/54/31/392845431.db2.gz FPVQGXOBPZXJJG-MSOLQXFVSA-N 2 1 296.499 3.122 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000647961385 392845437 /nfs/dbraw/zinc/84/54/37/392845437.db2.gz FPVQGXOBPZXJJG-MSOLQXFVSA-N 2 1 296.499 3.122 20 0 CGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000647961385 392845441 /nfs/dbraw/zinc/84/54/41/392845441.db2.gz FPVQGXOBPZXJJG-MSOLQXFVSA-N 2 1 296.499 3.122 20 0 CGADMP C[C@@H]1COc2ccccc2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647991326 392858457 /nfs/dbraw/zinc/85/84/57/392858457.db2.gz ZQLYHEPGWDXYCC-OAHLLOKOSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000519641848 392875782 /nfs/dbraw/zinc/87/57/82/392875782.db2.gz VNFDWTOLFAZEFT-JFGNBEQYSA-N 2 1 270.779 3.270 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000394448298 392938072 /nfs/dbraw/zinc/93/80/72/392938072.db2.gz KRGPGILLTQRPKU-UHFFFAOYSA-N 2 1 298.430 3.307 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000394448298 392938078 /nfs/dbraw/zinc/93/80/78/392938078.db2.gz KRGPGILLTQRPKU-UHFFFAOYSA-N 2 1 298.430 3.307 20 0 CGADMP CC(C)CCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000339408430 392955057 /nfs/dbraw/zinc/95/50/57/392955057.db2.gz HNDZQZLPHYXNBG-GOSISDBHSA-N 2 1 289.467 3.462 20 0 CGADMP C[C@H]1CC(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)C[C@H](C)C1 ZINC000461359912 392963975 /nfs/dbraw/zinc/96/39/75/392963975.db2.gz GRHKIMPLAWQEHF-INMHGKMJSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459796822 392954944 /nfs/dbraw/zinc/95/49/44/392954944.db2.gz WJBUZIAUUFKRRU-STQMWFEESA-N 2 1 280.378 3.429 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000216207316 392989359 /nfs/dbraw/zinc/98/93/59/392989359.db2.gz AQWPKSZSLSIWQI-GHMZBOCLSA-N 2 1 275.783 3.062 20 0 CGADMP CCCC1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000415003243 393087706 /nfs/dbraw/zinc/08/77/06/393087706.db2.gz OQHVMODIVRIQBS-ROKHWSDSSA-N 2 1 274.399 3.180 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415008031 393092156 /nfs/dbraw/zinc/09/21/56/393092156.db2.gz VMVAYIRWRYJQDP-MJBXVCDLSA-N 2 1 276.415 3.282 20 0 CGADMP Fc1ccc(C[N@@H+](CC2CC2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346996284 393098434 /nfs/dbraw/zinc/09/84/34/393098434.db2.gz WJZKYZOPLPXBOV-INIZCTEOSA-N 2 1 276.399 3.037 20 0 CGADMP CCCCCOc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OC ZINC000415023193 393099997 /nfs/dbraw/zinc/09/99/97/393099997.db2.gz WGGLKFCLADNTSK-UONOGXRCSA-N 2 1 294.439 3.090 20 0 CGADMP Cc1cccc2c(NC[C@@H]3CCC[N@H+](C)C3)c(C)c[nH+]c12 ZINC000547316818 393105224 /nfs/dbraw/zinc/10/52/24/393105224.db2.gz XGVMOHQHWVRDBK-HNNXBMFYSA-N 2 1 283.419 3.027 20 0 CGADMP CC1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000245872884 393048317 /nfs/dbraw/zinc/04/83/17/393048317.db2.gz XBOFPDAZBSMHQU-FSXGRMEGSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000414677945 393050879 /nfs/dbraw/zinc/05/08/79/393050879.db2.gz XGYVFQRLDSQQQF-OKZBNKHCSA-N 2 1 272.436 3.022 20 0 CGADMP C[C@H]1C[C@H](C[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000414692206 393053040 /nfs/dbraw/zinc/05/30/40/393053040.db2.gz KJBYCBFNRNBWEU-QWHCGFSZSA-N 2 1 278.827 3.086 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414961174 393066594 /nfs/dbraw/zinc/06/65/94/393066594.db2.gz RRSQWGNVZRPEQE-NWDGAFQWSA-N 2 1 299.256 3.140 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)oc2cc1C ZINC000414959181 393067276 /nfs/dbraw/zinc/06/72/76/393067276.db2.gz PVDQYOFIWHGDJD-CJNGLKHVSA-N 2 1 272.392 3.137 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[NH2+]1 ZINC000414961824 393067844 /nfs/dbraw/zinc/06/78/44/393067844.db2.gz ZFBVLCTZLVDJGJ-CHWSQXEVSA-N 2 1 288.366 3.316 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000414988267 393081026 /nfs/dbraw/zinc/08/10/26/393081026.db2.gz ZMULKQTUELGUMN-KRWDZBQOSA-N 2 1 254.377 3.181 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050042 393112382 /nfs/dbraw/zinc/11/23/82/393112382.db2.gz IDBUKTLJVRMQMW-VEZWFGLTSA-N 2 1 295.515 3.007 20 0 CGADMP CCc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415055847 393117820 /nfs/dbraw/zinc/11/78/20/393117820.db2.gz RKUKDZMSCARXRP-ROUUACIJSA-N 2 1 272.436 3.213 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415056977 393118046 /nfs/dbraw/zinc/11/80/46/393118046.db2.gz STSQAQRXUUYWME-NZSAHSFTSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1[NH3+] ZINC000252692076 393125847 /nfs/dbraw/zinc/12/58/47/393125847.db2.gz ZXIHHGNZUXLADT-XHDPSFHLSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1[NH3+] ZINC000252692076 393125854 /nfs/dbraw/zinc/12/58/54/393125854.db2.gz ZXIHHGNZUXLADT-XHDPSFHLSA-N 2 1 289.810 3.057 20 0 CGADMP CCCOc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415073644 393129682 /nfs/dbraw/zinc/12/96/82/393129682.db2.gz ZQYLNQQODOTXRX-QGZVFWFLSA-N 2 1 276.424 3.083 20 0 CGADMP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)C(C)(C)c1ccccc1 ZINC000415081207 393133507 /nfs/dbraw/zinc/13/35/07/393133507.db2.gz KBFAPVOHDNDJCO-AWEZNQCLSA-N 2 1 262.441 3.330 20 0 CGADMP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415083345 393136839 /nfs/dbraw/zinc/13/68/39/393136839.db2.gz PUDYRELFTZSBQY-KSZLIROESA-N 2 1 272.436 3.130 20 0 CGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261957375 393143250 /nfs/dbraw/zinc/14/32/50/393143250.db2.gz OUDQNOSVFRAZQZ-PBHICJAKSA-N 2 1 278.415 3.454 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000415094171 393143393 /nfs/dbraw/zinc/14/33/93/393143393.db2.gz WYEAOLZKANPASO-QAPCUYQASA-N 2 1 280.415 3.159 20 0 CGADMP COc1ccc(-c2ccc(C[NH2+]CC(C)(C)[NH3+])s2)cc1 ZINC000415121750 393150490 /nfs/dbraw/zinc/15/04/90/393150490.db2.gz ZNBZZSJELDLOAU-UHFFFAOYSA-N 2 1 290.432 3.251 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@@H]1C[NH3+] ZINC000415120572 393151361 /nfs/dbraw/zinc/15/13/61/393151361.db2.gz GLPLOFUSQQQCKB-KXBFYZLASA-N 2 1 295.430 3.165 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000415124435 393151416 /nfs/dbraw/zinc/15/14/16/393151416.db2.gz KFCPDGOWVAIWSX-JSGCOSHPSA-N 2 1 274.433 3.318 20 0 CGADMP Cc1ccc(CCC[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000354353424 393243434 /nfs/dbraw/zinc/24/34/34/393243434.db2.gz UKVGIISXUVOQLB-CALCHBBNSA-N 2 1 289.467 3.175 20 0 CGADMP Cc1ccc(CCC[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000354353424 393243441 /nfs/dbraw/zinc/24/34/41/393243441.db2.gz UKVGIISXUVOQLB-CALCHBBNSA-N 2 1 289.467 3.175 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000268856834 393206751 /nfs/dbraw/zinc/20/67/51/393206751.db2.gz LLTVANBVETYQJZ-OAHLLOKOSA-N 2 1 287.432 3.408 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000469725588 393210584 /nfs/dbraw/zinc/21/05/84/393210584.db2.gz PEJJJJJWMKDUIO-IBGZPJMESA-N 2 1 286.463 3.413 20 0 CGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999564 393271187 /nfs/dbraw/zinc/27/11/87/393271187.db2.gz BSUHABANXXGTAN-NXHRZFHOSA-N 2 1 272.436 3.096 20 0 CGADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999564 393271196 /nfs/dbraw/zinc/27/11/96/393271196.db2.gz BSUHABANXXGTAN-NXHRZFHOSA-N 2 1 272.436 3.096 20 0 CGADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999564 393271203 /nfs/dbraw/zinc/27/12/03/393271203.db2.gz BSUHABANXXGTAN-NXHRZFHOSA-N 2 1 272.436 3.096 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000648870688 393278890 /nfs/dbraw/zinc/27/88/90/393278890.db2.gz NOXSOHIJIWWTEF-HNNXBMFYSA-N 2 1 288.435 3.017 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000648870688 393278895 /nfs/dbraw/zinc/27/88/95/393278895.db2.gz NOXSOHIJIWWTEF-HNNXBMFYSA-N 2 1 288.435 3.017 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000475334508 393393228 /nfs/dbraw/zinc/39/32/28/393393228.db2.gz LDSVHMNJDHWBKC-MLGOLLRUSA-N 2 1 280.843 3.127 20 0 CGADMP Fc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000647233117 393401777 /nfs/dbraw/zinc/40/17/77/393401777.db2.gz UGFWIRKDXLJRLM-SJORKVTESA-N 2 1 288.410 3.421 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000474810911 393350479 /nfs/dbraw/zinc/35/04/79/393350479.db2.gz PUJQLRQVFXSHQE-RCCFBDPRSA-N 2 1 294.483 3.046 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000474810911 393350484 /nfs/dbraw/zinc/35/04/84/393350484.db2.gz PUJQLRQVFXSHQE-RCCFBDPRSA-N 2 1 294.483 3.046 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000649416115 393416558 /nfs/dbraw/zinc/41/65/58/393416558.db2.gz PHCFXULDNXJWMJ-UHFFFAOYSA-N 2 1 297.402 3.187 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420301567 393456191 /nfs/dbraw/zinc/45/61/91/393456191.db2.gz LMEFZDCRWVXQBD-UKRRQHHQSA-N 2 1 280.843 3.202 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420305763 393457462 /nfs/dbraw/zinc/45/74/62/393457462.db2.gz ZKFSEUIOLFNTKI-HNNXBMFYSA-N 2 1 282.387 3.260 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1C ZINC000420309412 393459784 /nfs/dbraw/zinc/45/97/84/393459784.db2.gz TVRAPWCXXLVWOJ-SJLPKXTDSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000488301024 393482987 /nfs/dbraw/zinc/48/29/87/393482987.db2.gz VBBGYNDKNRGFSF-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000488301530 393483009 /nfs/dbraw/zinc/48/30/09/393483009.db2.gz QRQUBEPDDAFXAR-IKGGRYGDSA-N 2 1 264.457 3.086 20 0 CGADMP Cc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(C)n1 ZINC000420317032 393462937 /nfs/dbraw/zinc/46/29/37/393462937.db2.gz UHUWZYJNVDPSIN-UHFFFAOYSA-N 2 1 283.419 3.049 20 0 CGADMP Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(C)n1 ZINC000420317032 393462946 /nfs/dbraw/zinc/46/29/46/393462946.db2.gz UHUWZYJNVDPSIN-UHFFFAOYSA-N 2 1 283.419 3.049 20 0 CGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cocn2)C[N@H+]1Cc1ccccc1 ZINC000428869066 393466761 /nfs/dbraw/zinc/46/67/61/393466761.db2.gz CCHGOUDDNIBMGU-RDJZCZTQSA-N 2 1 299.418 3.065 20 0 CGADMP CSc1ccccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420324084 393467493 /nfs/dbraw/zinc/46/74/93/393467493.db2.gz YXTGJNBYKZUSRW-AWEZNQCLSA-N 2 1 264.438 3.112 20 0 CGADMP Fc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420333384 393469505 /nfs/dbraw/zinc/46/95/05/393469505.db2.gz SSZKSGQWRDTVGW-CHWSQXEVSA-N 2 1 296.817 3.301 20 0 CGADMP [NH3+]C[C@@H]([NH2+]CCOC1CCCCCC1)C1CCCCC1 ZINC000420361170 393474869 /nfs/dbraw/zinc/47/48/69/393474869.db2.gz HXEFGSCRFVTKCV-QGZVFWFLSA-N 2 1 282.472 3.223 20 0 CGADMP c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420365921 393476549 /nfs/dbraw/zinc/47/65/49/393476549.db2.gz TUEJMSMIDKUCGD-UMQXSMKFSA-N 2 1 298.474 3.472 20 0 CGADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000420375173 393477732 /nfs/dbraw/zinc/47/77/32/393477732.db2.gz STKLOBSCQBOARK-GXTWGEPZSA-N 2 1 274.399 3.309 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(C(F)F)c1 ZINC000420373479 393477836 /nfs/dbraw/zinc/47/78/36/393477836.db2.gz ZHXRQAHDVMRRFT-GFCCVEGCSA-N 2 1 256.340 3.087 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248958 393411859 /nfs/dbraw/zinc/41/18/59/393411859.db2.gz SRZKYTBEHYUZHI-RANZSIQMSA-N 2 1 272.436 3.110 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000420407572 393484851 /nfs/dbraw/zinc/48/48/51/393484851.db2.gz OLKCOCDPGMNUMD-WDEREUQCSA-N 2 1 270.779 3.129 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OC1CCCCCC1 ZINC000420409980 393484867 /nfs/dbraw/zinc/48/48/67/393484867.db2.gz XUGYFRKEGOMESO-AEFFLSMTSA-N 2 1 294.483 3.190 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488409172 393501624 /nfs/dbraw/zinc/50/16/24/393501624.db2.gz ISSZCOYVKNCNJT-LSDHHAIUSA-N 2 1 295.496 3.482 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488419662 393505963 /nfs/dbraw/zinc/50/59/63/393505963.db2.gz HIEIOKRISUPWRV-RBSFLKMASA-N 2 1 284.513 3.228 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000488421356 393507484 /nfs/dbraw/zinc/50/74/84/393507484.db2.gz KAKKAHFVMWPXMT-KFWWJZLASA-N 2 1 278.465 3.206 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000488421356 393507485 /nfs/dbraw/zinc/50/74/85/393507485.db2.gz KAKKAHFVMWPXMT-KFWWJZLASA-N 2 1 278.465 3.206 20 0 CGADMP CCC(C)(C)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420935580 393548944 /nfs/dbraw/zinc/54/89/44/393548944.db2.gz METWFKWEDSBYPJ-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP CCC(C)(C)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420935580 393548948 /nfs/dbraw/zinc/54/89/48/393548948.db2.gz METWFKWEDSBYPJ-UHFFFAOYSA-N 2 1 290.451 3.139 20 0 CGADMP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666770347 542814595 /nfs/dbraw/zinc/81/45/95/542814595.db2.gz VVORZKNXOQXMQC-ULQDDVLXSA-N 2 1 258.409 3.054 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430620123 393581651 /nfs/dbraw/zinc/58/16/51/393581651.db2.gz HHDBYAMSPYIAPN-KRWDZBQOSA-N 2 1 282.431 3.314 20 0 CGADMP C[C@H]1CC(CC[N@@H+](C)C2CC[NH2+]CC2)C[C@H](C)C1 ZINC000430635271 393582919 /nfs/dbraw/zinc/58/29/19/393582919.db2.gz GLDYPERSCWYQCZ-ZIAGYGMSSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)[C@H]1C ZINC000360771708 393585562 /nfs/dbraw/zinc/58/55/62/393585562.db2.gz JIBPJVNLASFUGS-ILXRZTDVSA-N 2 1 275.440 3.310 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432414455 393610763 /nfs/dbraw/zinc/61/07/63/393610763.db2.gz KTEWITBHUBRWBC-IAGOWNOFSA-N 2 1 290.451 3.147 20 0 CGADMP Cc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432414455 393610769 /nfs/dbraw/zinc/61/07/69/393610769.db2.gz KTEWITBHUBRWBC-IAGOWNOFSA-N 2 1 290.451 3.147 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000424317001 393681699 /nfs/dbraw/zinc/68/16/99/393681699.db2.gz GJKAZDRKDFZOGR-HYVNUMGLSA-N 2 1 270.420 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000424317001 393681705 /nfs/dbraw/zinc/68/17/05/393681705.db2.gz GJKAZDRKDFZOGR-HYVNUMGLSA-N 2 1 270.420 3.039 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423297953 393659958 /nfs/dbraw/zinc/65/99/58/393659958.db2.gz MNVPFYCSBWXCIV-CZUORRHYSA-N 2 1 261.413 3.041 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423297865 393660134 /nfs/dbraw/zinc/66/01/34/393660134.db2.gz MFHFIUBFFMPJNN-DLBZAZTESA-N 2 1 280.431 3.500 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000423297279 393660265 /nfs/dbraw/zinc/66/02/65/393660265.db2.gz JPXWTENFHAOFQU-HOTGVXAUSA-N 2 1 292.423 3.031 20 0 CGADMP CCC[C@H](CC)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423344868 393662627 /nfs/dbraw/zinc/66/26/27/393662627.db2.gz XCMPTMNFCRJUHT-SZMVWBNQSA-N 2 1 290.451 3.309 20 0 CGADMP CCCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491054800 393664510 /nfs/dbraw/zinc/66/45/10/393664510.db2.gz DGSPWWVCGFFNRF-GOSISDBHSA-N 2 1 296.499 3.391 20 0 CGADMP CCCCOCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491054800 393664515 /nfs/dbraw/zinc/66/45/15/393664515.db2.gz DGSPWWVCGFFNRF-GOSISDBHSA-N 2 1 296.499 3.391 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423457898 393668440 /nfs/dbraw/zinc/66/84/40/393668440.db2.gz GHZLUZHMXFIVNJ-TZMCWYRMSA-N 2 1 297.240 3.153 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423457895 393668549 /nfs/dbraw/zinc/66/85/49/393668549.db2.gz GHZLUZHMXFIVNJ-GXTWGEPZSA-N 2 1 297.240 3.153 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000423457817 393668575 /nfs/dbraw/zinc/66/85/75/393668575.db2.gz GBGOGQARRLXILQ-RHSMWYFYSA-N 2 1 276.424 3.253 20 0 CGADMP C[C@H]([NH2+]C1CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000433234992 393701554 /nfs/dbraw/zinc/70/15/54/393701554.db2.gz UIQDFLCXZQPVRV-KBPBESRZSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)CSCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000443616198 393766659 /nfs/dbraw/zinc/76/66/59/393766659.db2.gz MFCUXNHKTSJVEO-KRWDZBQOSA-N 2 1 298.540 3.429 20 0 CGADMP CC(C)CSCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000443616198 393766661 /nfs/dbraw/zinc/76/66/61/393766661.db2.gz MFCUXNHKTSJVEO-KRWDZBQOSA-N 2 1 298.540 3.429 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H](C)C1 ZINC000443640461 393768642 /nfs/dbraw/zinc/76/86/42/393768642.db2.gz NFFQUIBEWRROMP-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)C1 ZINC000443640461 393768645 /nfs/dbraw/zinc/76/86/45/393768645.db2.gz NFFQUIBEWRROMP-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)C1 ZINC000443640461 393768647 /nfs/dbraw/zinc/76/86/47/393768647.db2.gz NFFQUIBEWRROMP-PMPSAXMXSA-N 2 1 252.446 3.229 20 0 CGADMP CCc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000443676843 393770162 /nfs/dbraw/zinc/77/01/62/393770162.db2.gz VPEWKMFDJKEEOZ-HZPDHXFCSA-N 2 1 295.430 3.258 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSC2CCCCC2)CC[N@@H+]1C ZINC000500092702 393816564 /nfs/dbraw/zinc/81/65/64/393816564.db2.gz PVHICFPFJNVZCH-CABCVRRESA-N 2 1 284.513 3.467 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCSC2CCCCC2)CC[N@H+]1C ZINC000500092702 393816566 /nfs/dbraw/zinc/81/65/66/393816566.db2.gz PVHICFPFJNVZCH-CABCVRRESA-N 2 1 284.513 3.467 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCSC2CCCCC2)CC[NH+]1C ZINC000500092702 393816572 /nfs/dbraw/zinc/81/65/72/393816572.db2.gz PVHICFPFJNVZCH-CABCVRRESA-N 2 1 284.513 3.467 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCSC2CCCCC2)CC[NH+]1C ZINC000500092702 393816577 /nfs/dbraw/zinc/81/65/77/393816577.db2.gz PVHICFPFJNVZCH-CABCVRRESA-N 2 1 284.513 3.467 20 0 CGADMP CC[C@H]1CCCC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000502013937 393866648 /nfs/dbraw/zinc/86/66/48/393866648.db2.gz BAHLLOWEICTCGW-DLBZAZTESA-N 2 1 294.483 3.190 20 0 CGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502032578 393867561 /nfs/dbraw/zinc/86/75/61/393867561.db2.gz MAFZVMGCVBIWRQ-XMTFNYHQSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CCC1CCCCC1 ZINC000502692614 393882938 /nfs/dbraw/zinc/88/29/38/393882938.db2.gz DBAWXQGAVWKDAS-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CCC1CCCCC1 ZINC000502692614 393882943 /nfs/dbraw/zinc/88/29/43/393882943.db2.gz DBAWXQGAVWKDAS-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CCC1CCCCC1 ZINC000502692614 393882947 /nfs/dbraw/zinc/88/29/47/393882947.db2.gz DBAWXQGAVWKDAS-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC12CCC2)C1CCCCC1 ZINC000502709248 393883270 /nfs/dbraw/zinc/88/32/70/393883270.db2.gz UVUHOUKYDYIYMA-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560834 393903687 /nfs/dbraw/zinc/90/36/87/393903687.db2.gz PZKDIXWKKSNPBQ-WWTUQBGBSA-N 2 1 250.430 3.170 20 0 CGADMP CCc1ccc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000450364837 393995553 /nfs/dbraw/zinc/99/55/53/393995553.db2.gz OFAGBAHKHVWUCK-CVEARBPZSA-N 2 1 295.430 3.470 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000450601327 394028533 /nfs/dbraw/zinc/02/85/33/394028533.db2.gz PFVOKXYGWCMXLF-AWEZNQCLSA-N 2 1 285.382 3.339 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000450601327 394028538 /nfs/dbraw/zinc/02/85/38/394028538.db2.gz PFVOKXYGWCMXLF-AWEZNQCLSA-N 2 1 285.382 3.339 20 0 CGADMP CC1CCC([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667484218 542874878 /nfs/dbraw/zinc/87/48/78/542874878.db2.gz DINHTTKJJWYRAG-UHFFFAOYSA-N 2 1 284.407 3.278 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453250151 394219734 /nfs/dbraw/zinc/21/97/34/394219734.db2.gz KNTKHGRJPTUJAK-JKSUJKDBSA-N 2 1 277.456 3.111 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453250151 394219737 /nfs/dbraw/zinc/21/97/37/394219737.db2.gz KNTKHGRJPTUJAK-JKSUJKDBSA-N 2 1 277.456 3.111 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2c(O)cccc21)C1CC1 ZINC000453394845 394230697 /nfs/dbraw/zinc/23/06/97/394230697.db2.gz HJKJIYFBFHMWSK-QGZVFWFLSA-N 2 1 288.435 3.234 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453396875 394231568 /nfs/dbraw/zinc/23/15/68/394231568.db2.gz IXWYIZCEYIELQZ-GFCCVEGCSA-N 2 1 282.453 3.282 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H](C1CC1)C1CCC1)C1CC1 ZINC000453405921 394235937 /nfs/dbraw/zinc/23/59/37/394235937.db2.gz QVULXFWRPAYOKE-INIZCTEOSA-N 2 1 250.430 3.029 20 0 CGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601716 394254308 /nfs/dbraw/zinc/25/43/08/394254308.db2.gz VJFOYBWZJSLIIS-WBVHZDCISA-N 2 1 264.457 3.443 20 0 CGADMP CC(C)[C@H]1CCC[N@@H+](Cc2cnc3n2CCC3)CC1 ZINC000667641994 542902546 /nfs/dbraw/zinc/90/25/46/542902546.db2.gz LJUOHYGRIJHFPX-AWEZNQCLSA-N 2 1 261.413 3.087 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(COC)cs2)C1 ZINC000667672861 542913735 /nfs/dbraw/zinc/91/37/35/542913735.db2.gz JIMVMAFLPVSBPV-AWEZNQCLSA-N 2 1 296.480 3.058 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(COC)cs2)C1 ZINC000667672861 542913738 /nfs/dbraw/zinc/91/37/38/542913738.db2.gz JIMVMAFLPVSBPV-AWEZNQCLSA-N 2 1 296.480 3.058 20 0 CGADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C1CC1 ZINC000668512438 543021888 /nfs/dbraw/zinc/02/18/88/543021888.db2.gz MTDHLCUTVPRWIV-HUUCEWRRSA-N 2 1 271.408 3.306 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668587073 543032084 /nfs/dbraw/zinc/03/20/84/543032084.db2.gz JADGLVLGFPJASH-HOTGVXAUSA-N 2 1 262.441 3.482 20 0 CGADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668587073 543032086 /nfs/dbraw/zinc/03/20/86/543032086.db2.gz JADGLVLGFPJASH-HOTGVXAUSA-N 2 1 262.441 3.482 20 0 CGADMP CC(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668818357 543066609 /nfs/dbraw/zinc/06/66/09/543066609.db2.gz GTFBVBUWFLOUTG-OAHLLOKOSA-N 2 1 252.446 3.134 20 0 CGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265107 543148269 /nfs/dbraw/zinc/14/82/69/543148269.db2.gz NRVKUJONNHKTMM-HZPDHXFCSA-N 2 1 284.488 3.101 20 0 CGADMP C[C@H](C[N@H+]1CCCC12CC[NH+](C)CC2)C(C)(C)C ZINC000670269884 543150356 /nfs/dbraw/zinc/15/03/56/543150356.db2.gz VFQRYRSPBUHFEW-CQSZACIVSA-N 2 1 252.446 3.229 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000671746909 543185148 /nfs/dbraw/zinc/18/51/48/543185148.db2.gz VKDMHEKPFGDOSE-OKZBNKHCSA-N 2 1 290.426 3.221 20 0 CGADMP Cc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C(C)C)s1 ZINC000226437155 292098939 /nfs/dbraw/zinc/09/89/39/292098939.db2.gz IICBHMXAQKJNQK-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP c1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917990 397609913 /nfs/dbraw/zinc/60/99/13/397609913.db2.gz LRJCWWRIHWOPER-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c3ccccc23)CC[C@@H]1[NH3+] ZINC000387515894 397690293 /nfs/dbraw/zinc/69/02/93/397690293.db2.gz OVJNUUUDAUHQGX-KSSFIOAISA-N 2 1 298.430 3.408 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649834709 397733189 /nfs/dbraw/zinc/73/31/89/397733189.db2.gz PHUMUFNGIWKTLV-HNNXBMFYSA-N 2 1 283.419 3.243 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649834709 397733192 /nfs/dbraw/zinc/73/31/92/397733192.db2.gz PHUMUFNGIWKTLV-HNNXBMFYSA-N 2 1 283.419 3.243 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1CC[NH3+] ZINC000650711969 397899231 /nfs/dbraw/zinc/89/92/31/397899231.db2.gz LDALYAPEMOAZMM-UBDQQSCGSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)[C@H]1CC[NH3+] ZINC000650712250 397899741 /nfs/dbraw/zinc/89/97/41/397899741.db2.gz XTIXLJBKTIUVNN-KDOFPFPSSA-N 2 1 283.419 3.184 20 0 CGADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C(C)(C)C ZINC000650724439 397902521 /nfs/dbraw/zinc/90/25/21/397902521.db2.gz GGMOLYVGVURHKG-QXSJWSMHSA-N 2 1 282.472 3.029 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754974 397909210 /nfs/dbraw/zinc/90/92/10/397909210.db2.gz VYPHCKDNWFHPHA-SNVBAGLBSA-N 2 1 294.395 3.205 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1nc(C)sc1C ZINC000650756694 397910581 /nfs/dbraw/zinc/91/05/81/397910581.db2.gz HVOWOQXQQOYELN-LLVKDONJSA-N 2 1 289.448 3.330 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC000674876197 543302011 /nfs/dbraw/zinc/30/20/11/543302011.db2.gz HXESBCVIWSJHLF-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000674876197 543302013 /nfs/dbraw/zinc/30/20/13/543302013.db2.gz HXESBCVIWSJHLF-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC000674876197 543302015 /nfs/dbraw/zinc/30/20/15/543302015.db2.gz HXESBCVIWSJHLF-AEFFLSMTSA-N 2 1 272.436 3.480 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000675770719 543363655 /nfs/dbraw/zinc/36/36/55/543363655.db2.gz XYFMGTKPPQEEAH-RDJZCZTQSA-N 2 1 274.452 3.427 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880381 543369226 /nfs/dbraw/zinc/36/92/26/543369226.db2.gz DMPZAMRVFULMFL-WMZOPIPTSA-N 2 1 294.483 3.354 20 0 CGADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000677241159 543441427 /nfs/dbraw/zinc/44/14/27/543441427.db2.gz MNHZRKXYUGPOJZ-LTIDMASMSA-N 2 1 294.483 3.187 20 0 CGADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CCCC1 ZINC000678140908 543487647 /nfs/dbraw/zinc/48/76/47/543487647.db2.gz VVGNEEWPAMXZFT-UHFFFAOYSA-N 2 1 290.451 3.392 20 0 CGADMP CC[C@H](C)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678140328 543487997 /nfs/dbraw/zinc/48/79/97/543487997.db2.gz FGEAAKHMBDDTJJ-INIZCTEOSA-N 2 1 290.451 3.392 20 0 CGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCCCC1 ZINC000353555741 292247550 /nfs/dbraw/zinc/24/75/50/292247550.db2.gz DIDRWVNXPGEIMT-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C12CCCCC2 ZINC000423262165 286289059 /nfs/dbraw/zinc/28/90/59/286289059.db2.gz LVWXUTPWPWRBQO-BZUAXINKSA-N 2 1 282.472 3.077 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000420304484 286357065 /nfs/dbraw/zinc/35/70/65/286357065.db2.gz OOJMVWGMKQNDGN-FUHWJXTLSA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc([C@@H]([NH2+]CC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422901847 286359201 /nfs/dbraw/zinc/35/92/01/286359201.db2.gz SKLOKAOGHNXGDJ-QZTJIDSGSA-N 2 1 288.435 3.268 20 0 CGADMP COCCC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000178097756 292382088 /nfs/dbraw/zinc/38/20/88/292382088.db2.gz GMLXPWPKKAIOBD-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430583716 292442687 /nfs/dbraw/zinc/44/26/87/292442687.db2.gz SVHBQMHNDUWTEX-QGZVFWFLSA-N 2 1 278.440 3.035 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000080459223 287065821 /nfs/dbraw/zinc/06/58/21/287065821.db2.gz JBFSWRGNGXNEPJ-LSDHHAIUSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC000081516762 287073790 /nfs/dbraw/zinc/07/37/90/287073790.db2.gz PPUVBTKDXIOPSY-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000081516762 287073793 /nfs/dbraw/zinc/07/37/93/287073793.db2.gz PPUVBTKDXIOPSY-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000081516762 287073794 /nfs/dbraw/zinc/07/37/94/287073794.db2.gz PPUVBTKDXIOPSY-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000071306927 165069528 /nfs/dbraw/zinc/06/95/28/165069528.db2.gz JMNNAPGYHBHOJS-CKYFFXLPSA-N 2 1 272.845 3.220 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000071306927 165069531 /nfs/dbraw/zinc/06/95/31/165069531.db2.gz JMNNAPGYHBHOJS-CKYFFXLPSA-N 2 1 272.845 3.220 20 0 CGADMP COCc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000088552589 165196847 /nfs/dbraw/zinc/19/68/47/165196847.db2.gz HWMBBKGRLHPHPW-INIZCTEOSA-N 2 1 290.451 3.187 20 0 CGADMP Cc1cc(C)c(C[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000091669046 165265627 /nfs/dbraw/zinc/26/56/27/165265627.db2.gz RUOKTDMOOAHELY-UHFFFAOYSA-N 2 1 260.425 3.138 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383685 165294531 /nfs/dbraw/zinc/29/45/31/165294531.db2.gz ACFZTAZEZNYTSA-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000094826059 165391154 /nfs/dbraw/zinc/39/11/54/165391154.db2.gz AWUSQGBXLJNWJB-LBPRGKRZSA-N 2 1 270.367 3.347 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000120729598 287185936 /nfs/dbraw/zinc/18/59/36/287185936.db2.gz VUQMPXVDEGKMMR-IIHSZXCVSA-N 2 1 286.463 3.425 20 0 CGADMP CCc1cccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123706566 287224142 /nfs/dbraw/zinc/22/41/42/287224142.db2.gz OYWFEIVLCNTLOU-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123706566 287224144 /nfs/dbraw/zinc/22/41/44/287224144.db2.gz OYWFEIVLCNTLOU-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123706566 287224146 /nfs/dbraw/zinc/22/41/46/287224146.db2.gz OYWFEIVLCNTLOU-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP CCc1cccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123706566 287224148 /nfs/dbraw/zinc/22/41/48/287224148.db2.gz OYWFEIVLCNTLOU-WBVHZDCISA-N 2 1 290.451 3.042 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000284218036 196006494 /nfs/dbraw/zinc/00/64/94/196006494.db2.gz TXEHUOXULBBHGF-MRXNPFEDSA-N 2 1 276.424 3.090 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000284218036 196006496 /nfs/dbraw/zinc/00/64/96/196006496.db2.gz TXEHUOXULBBHGF-MRXNPFEDSA-N 2 1 276.424 3.090 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000126151012 287258416 /nfs/dbraw/zinc/25/84/16/287258416.db2.gz XRMPGSIVNOUBAC-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000126151012 287258417 /nfs/dbraw/zinc/25/84/17/287258417.db2.gz XRMPGSIVNOUBAC-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000037256092 173067130 /nfs/dbraw/zinc/06/71/30/173067130.db2.gz OWWVIHGDCKCWGA-HNNXBMFYSA-N 2 1 274.452 3.427 20 0 CGADMP c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408224 173185020 /nfs/dbraw/zinc/18/50/20/173185020.db2.gz CSPVNVZAFZKODR-HNNXBMFYSA-N 2 1 280.415 3.414 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000038097923 174112157 /nfs/dbraw/zinc/11/21/57/174112157.db2.gz FOZMVTYZHXNZGS-MRXNPFEDSA-N 2 1 264.388 3.351 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000038097987 174112769 /nfs/dbraw/zinc/11/27/69/174112769.db2.gz RNBZNGCYVFPZAQ-GFCCVEGCSA-N 2 1 252.427 3.191 20 0 CGADMP Cc1nccn1CCC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000127412240 287287629 /nfs/dbraw/zinc/28/76/29/287287629.db2.gz KHHRELPYFWPABV-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CCC(C)C ZINC000127412240 287287630 /nfs/dbraw/zinc/28/76/30/287287630.db2.gz KHHRELPYFWPABV-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000127412240 287287631 /nfs/dbraw/zinc/28/76/31/287287631.db2.gz KHHRELPYFWPABV-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000040669919 174368540 /nfs/dbraw/zinc/36/85/40/174368540.db2.gz VNMWAOWJWVHMIK-BLLLJJGKSA-N 2 1 276.428 3.016 20 0 CGADMP C[N@H+](Cc1ccccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746526 174391236 /nfs/dbraw/zinc/39/12/36/174391236.db2.gz DPBQBAYZDZGWFN-PBWFPOADSA-N 2 1 296.361 3.003 20 0 CGADMP C[N@@H+](Cc1ccccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746526 174391238 /nfs/dbraw/zinc/39/12/38/174391238.db2.gz DPBQBAYZDZGWFN-PBWFPOADSA-N 2 1 296.361 3.003 20 0 CGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527987 175192618 /nfs/dbraw/zinc/19/26/18/175192618.db2.gz GLCPLRIIBRRZSK-VXGBXAGGSA-N 2 1 284.350 3.020 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527861 175192778 /nfs/dbraw/zinc/19/27/78/175192778.db2.gz VZLKXZCJQCDMOJ-NWDGAFQWSA-N 2 1 252.789 3.072 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527861 175192779 /nfs/dbraw/zinc/19/27/79/175192779.db2.gz VZLKXZCJQCDMOJ-NWDGAFQWSA-N 2 1 252.789 3.072 20 0 CGADMP CC1(C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000045117823 175311580 /nfs/dbraw/zinc/31/15/80/175311580.db2.gz RHOGRAAKMHPRIQ-QGZVFWFLSA-N 2 1 272.436 3.082 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCc2ccccc2C1)C1CCCC1 ZINC000071376987 176142448 /nfs/dbraw/zinc/14/24/48/176142448.db2.gz OLYBSVJTWMBPAY-QGZVFWFLSA-N 2 1 272.436 3.008 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCc2ccccc2C1)C1CCCC1 ZINC000071376987 176142450 /nfs/dbraw/zinc/14/24/50/176142450.db2.gz OLYBSVJTWMBPAY-QGZVFWFLSA-N 2 1 272.436 3.008 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C(C)(C)C ZINC000305965194 416527350 /nfs/dbraw/zinc/52/73/50/416527350.db2.gz CEDIQAOUZIXBCR-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC2CCC1CC2 ZINC000400174458 416545352 /nfs/dbraw/zinc/54/53/52/416545352.db2.gz OYRWNITZXFXWHD-LMNGEROHSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)[C@H]1CC[NH3+] ZINC000404360274 416552216 /nfs/dbraw/zinc/55/22/16/416552216.db2.gz DWTVWXCJMWCRKX-YOEHRIQHSA-N 2 1 283.419 3.184 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)[C@H]1CC[NH3+] ZINC000404382759 416553949 /nfs/dbraw/zinc/55/39/49/416553949.db2.gz NDUBHOUNGPXMAT-INMHGKMJSA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000404494526 416555612 /nfs/dbraw/zinc/55/56/12/416555612.db2.gz DZZBJSNYLRBOMS-WFASDCNBSA-N 2 1 296.842 3.298 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000404494526 416555617 /nfs/dbraw/zinc/55/56/17/416555617.db2.gz DZZBJSNYLRBOMS-WFASDCNBSA-N 2 1 296.842 3.298 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2ccsc2Cl)[C@@H]1CC[NH3+] ZINC000405231352 416558084 /nfs/dbraw/zinc/55/80/84/416558084.db2.gz QXOBSRRKKOQLCZ-ZYHUDNBSSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)[C@@H]1CC[NH3+] ZINC000405231352 416558090 /nfs/dbraw/zinc/55/80/90/416558090.db2.gz QXOBSRRKKOQLCZ-ZYHUDNBSSA-N 2 1 272.845 3.351 20 0 CGADMP CCO[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000405770953 416558905 /nfs/dbraw/zinc/55/89/05/416558905.db2.gz JZHFOIOIHSRIQC-VNQPRFMTSA-N 2 1 296.842 3.087 20 0 CGADMP CCO[C@@H]1C[N@H+]([C@@H](CC)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000405770953 416558912 /nfs/dbraw/zinc/55/89/12/416558912.db2.gz JZHFOIOIHSRIQC-VNQPRFMTSA-N 2 1 296.842 3.087 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000122778450 416506123 /nfs/dbraw/zinc/50/61/23/416506123.db2.gz BAHURDVINLJHMJ-BBRMVZONSA-N 2 1 296.842 3.168 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O)cc2)c1 ZINC000679392555 543632917 /nfs/dbraw/zinc/63/29/17/543632917.db2.gz BGLUCVQLBIILMI-UHFFFAOYSA-N 2 1 284.403 3.134 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(O)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000682406570 543842156 /nfs/dbraw/zinc/84/21/56/543842156.db2.gz HMWRAXPSZLQGIR-GDBMZVCRSA-N 2 1 288.435 3.135 20 0 CGADMP C[C@@H]([NH2+]Cc1ccc(O)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000682406582 543842235 /nfs/dbraw/zinc/84/22/35/543842235.db2.gz HMWRAXPSZLQGIR-ZBFHGGJFSA-N 2 1 288.435 3.135 20 0 CGADMP c1c2ccccc2[nH]c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000683926712 543954002 /nfs/dbraw/zinc/95/40/02/543954002.db2.gz KIWIHHPLCLYDDC-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929348 543955145 /nfs/dbraw/zinc/95/51/45/543955145.db2.gz KMCOTVMBLNYIGA-UHFFFAOYSA-N 2 1 282.391 3.243 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3cnccc3c2)C1 ZINC000685470837 544079125 /nfs/dbraw/zinc/07/91/25/544079125.db2.gz VBDQRDPAEMSPLC-RBUKOAKNSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470837 544079127 /nfs/dbraw/zinc/07/91/27/544079127.db2.gz VBDQRDPAEMSPLC-RBUKOAKNSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470837 544079128 /nfs/dbraw/zinc/07/91/28/544079128.db2.gz VBDQRDPAEMSPLC-RBUKOAKNSA-N 2 1 295.430 3.151 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)C(C)(C)C ZINC000685470816 544079164 /nfs/dbraw/zinc/07/91/64/544079164.db2.gz STJFYCKOQSUGIA-RBSFLKMASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C(C)(C)C ZINC000685470816 544079165 /nfs/dbraw/zinc/07/91/65/544079165.db2.gz STJFYCKOQSUGIA-RBSFLKMASA-N 2 1 252.446 3.085 20 0 CGADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C(C)(C)C ZINC000685470816 544079166 /nfs/dbraw/zinc/07/91/66/544079166.db2.gz STJFYCKOQSUGIA-RBSFLKMASA-N 2 1 252.446 3.085 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000685662238 544093269 /nfs/dbraw/zinc/09/32/69/544093269.db2.gz WXZGXQQWBYJBDZ-ATLSCFEFSA-N 2 1 274.452 3.497 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000685662238 544093270 /nfs/dbraw/zinc/09/32/70/544093270.db2.gz WXZGXQQWBYJBDZ-ATLSCFEFSA-N 2 1 274.452 3.497 20 0 CGADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479702703 227000653 /nfs/dbraw/zinc/00/06/53/227000653.db2.gz SQFSJTADNHCJIM-YJBOKZPZSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccsc32)CC[N@H+]1C ZINC000652220095 418936721 /nfs/dbraw/zinc/93/67/21/418936721.db2.gz UMKNYSWWFFMRNH-DOMZBBRYSA-N 2 1 274.433 3.474 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cnn1C(C)C ZINC000652222550 418937072 /nfs/dbraw/zinc/93/70/72/418937072.db2.gz REFLAXKIBVMHMV-OAHLLOKOSA-N 2 1 294.487 3.401 20 0 CGADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cnn1C(C)C ZINC000652222550 418937075 /nfs/dbraw/zinc/93/70/75/418937075.db2.gz REFLAXKIBVMHMV-OAHLLOKOSA-N 2 1 294.487 3.401 20 0 CGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1ccnn1C)C1CCCCC1 ZINC000652237910 418939727 /nfs/dbraw/zinc/93/97/27/418939727.db2.gz KRKWTIAABXTKNU-HNNXBMFYSA-N 2 1 292.471 3.115 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccnn1C)C1CCCCC1 ZINC000652237910 418939732 /nfs/dbraw/zinc/93/97/32/418939732.db2.gz KRKWTIAABXTKNU-HNNXBMFYSA-N 2 1 292.471 3.115 20 0 CGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000652348366 418956636 /nfs/dbraw/zinc/95/66/36/418956636.db2.gz BEYBERDPSJEBLJ-KSZLIROESA-N 2 1 294.483 3.175 20 0 CGADMP CO[C@@H](C[N@@H+](C)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000659869646 419022199 /nfs/dbraw/zinc/02/21/99/419022199.db2.gz YCPWDMCWQUHYKJ-SFHVURJKSA-N 2 1 296.499 3.386 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCOc1ccccc1 ZINC000653279960 419023392 /nfs/dbraw/zinc/02/33/92/419023392.db2.gz PHMYBRPIILZKGT-HOTGVXAUSA-N 2 1 276.424 3.047 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659876688 419025461 /nfs/dbraw/zinc/02/54/61/419025461.db2.gz LJQNPNATQYKWGB-FGTMMUONSA-N 2 1 278.484 3.475 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659975449 419050724 /nfs/dbraw/zinc/05/07/24/419050724.db2.gz LOOXXPABHIBOIR-AEFFLSMTSA-N 2 1 296.499 3.245 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659847622 419011897 /nfs/dbraw/zinc/01/18/97/419011897.db2.gz PMRWGLCRJXNCMN-BCDXTJNWSA-N 2 1 278.484 3.476 20 0 CGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)cc1 ZINC000665250533 419091750 /nfs/dbraw/zinc/09/17/50/419091750.db2.gz UZLHGLQJQKRPAI-LLVKDONJSA-N 2 1 252.789 3.262 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249098 419092663 /nfs/dbraw/zinc/09/26/63/419092663.db2.gz JSPXWZOHQSDQRF-CYBMUJFWSA-N 2 1 262.397 3.007 20 0 CGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000665256577 419095847 /nfs/dbraw/zinc/09/58/47/419095847.db2.gz FVYHGIAPZZCOPK-IRXDYDNUSA-N 2 1 276.399 3.194 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892950 419106848 /nfs/dbraw/zinc/10/68/48/419106848.db2.gz QHZQJIGFGGDJLL-INIZCTEOSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892950 419106851 /nfs/dbraw/zinc/10/68/51/419106851.db2.gz QHZQJIGFGGDJLL-INIZCTEOSA-N 2 1 275.440 3.397 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000665296359 419109637 /nfs/dbraw/zinc/10/96/37/419109637.db2.gz ROPPYEUFIWADFD-ZFWWWQNUSA-N 2 1 266.454 3.001 20 0 CGADMP C[C@H]([NH2+]CC1CC=CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255484 419115058 /nfs/dbraw/zinc/11/50/58/419115058.db2.gz BUBLOYUXUYLGGN-HOCLYGCPSA-N 2 1 262.441 3.195 20 0 CGADMP CSc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659983755 419054473 /nfs/dbraw/zinc/05/44/73/419054473.db2.gz UVJCXLYRKPZLHO-UKRRQHHQSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659983755 419054476 /nfs/dbraw/zinc/05/44/76/419054476.db2.gz UVJCXLYRKPZLHO-UKRRQHHQSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000659983755 419054482 /nfs/dbraw/zinc/05/44/82/419054482.db2.gz UVJCXLYRKPZLHO-UKRRQHHQSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000659983755 419054489 /nfs/dbraw/zinc/05/44/89/419054489.db2.gz UVJCXLYRKPZLHO-UKRRQHHQSA-N 2 1 278.465 3.323 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655690732 419066715 /nfs/dbraw/zinc/06/67/15/419066715.db2.gz JZXGPQMZMLBKPA-BZUAXINKSA-N 2 1 284.513 3.372 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000653750655 419079260 /nfs/dbraw/zinc/07/92/60/419079260.db2.gz NDGBBGHXNFIFTC-INIZCTEOSA-N 2 1 285.391 3.173 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000653750655 419079263 /nfs/dbraw/zinc/07/92/63/419079263.db2.gz NDGBBGHXNFIFTC-INIZCTEOSA-N 2 1 285.391 3.173 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000655942401 419129631 /nfs/dbraw/zinc/12/96/31/419129631.db2.gz QRHALVDXSSTJFT-BBWFWOEESA-N 2 1 294.483 3.174 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@H]2CC2CCCC2)CC[NH2+]C1 ZINC000656194953 419148151 /nfs/dbraw/zinc/14/81/51/419148151.db2.gz VIACUEICYZXSCG-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC000656200565 419149339 /nfs/dbraw/zinc/14/93/39/419149339.db2.gz RSMLIGSCGJQJHW-NEPJUHHUSA-N 2 1 264.800 3.189 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCc1cccc(Cl)c1 ZINC000656472548 419175268 /nfs/dbraw/zinc/17/52/68/419175268.db2.gz ZNJJEFBLFVJRKF-CYBMUJFWSA-N 2 1 291.826 3.313 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC)cc2C)CC1 ZINC000657294480 419244347 /nfs/dbraw/zinc/24/43/47/419244347.db2.gz REUKENIHTJTIIT-UHFFFAOYSA-N 2 1 290.451 3.358 20 0 CGADMP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](C4CC4)CC3)cc21 ZINC000657295821 419244506 /nfs/dbraw/zinc/24/45/06/419244506.db2.gz ZYAMONGOBYUKGC-UHFFFAOYSA-N 2 1 283.419 3.193 20 0 CGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000657294281 419244868 /nfs/dbraw/zinc/24/48/68/419244868.db2.gz LFRFXJYAQKIEAA-UHFFFAOYSA-N 2 1 290.451 3.356 20 0 CGADMP Fc1cccc(F)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784738 419217889 /nfs/dbraw/zinc/21/78/89/419217889.db2.gz GRTDWDNFHQBXJV-AWEZNQCLSA-N 2 1 294.389 3.176 20 0 CGADMP CC(C)c1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000656787644 419219168 /nfs/dbraw/zinc/21/91/68/419219168.db2.gz QBKLQZLXZCWFRJ-UHFFFAOYSA-N 2 1 272.436 3.168 20 0 CGADMP c1ccc([C@H]2CCCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000656788220 419219856 /nfs/dbraw/zinc/21/98/56/419219856.db2.gz VTZONDFOVVMCTJ-ULQDDVLXSA-N 2 1 258.409 3.054 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC2(CCCC2)CC1 ZINC000661231480 419242140 /nfs/dbraw/zinc/24/21/40/419242140.db2.gz OOAJOZKHIZBVGA-UHFFFAOYSA-N 2 1 275.440 3.399 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC2(CCCC2)CC1 ZINC000661231480 419242141 /nfs/dbraw/zinc/24/21/41/419242141.db2.gz OOAJOZKHIZBVGA-UHFFFAOYSA-N 2 1 275.440 3.399 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661870027 419309340 /nfs/dbraw/zinc/30/93/40/419309340.db2.gz BCAOIFNRIZWRQV-ROUUACIJSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000193130763 228106528 /nfs/dbraw/zinc/10/65/28/228106528.db2.gz DUKSCXCIDKAZAY-IPYPFGDCSA-N 2 1 263.429 3.242 20 0 CGADMP COCC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678698 419326902 /nfs/dbraw/zinc/32/69/02/419326902.db2.gz UPNQKXXBWQRCGN-OFLPRAFFSA-N 2 1 294.483 3.188 20 0 CGADMP COCC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678698 419326905 /nfs/dbraw/zinc/32/69/05/419326905.db2.gz UPNQKXXBWQRCGN-OFLPRAFFSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)[C@H](C)C2 ZINC000657698762 419329599 /nfs/dbraw/zinc/32/95/99/419329599.db2.gz YLSCNKICACSFBR-NWGLXNPWSA-N 2 1 284.447 3.445 20 0 CGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCCC(F)(F)F ZINC000662177587 419351871 /nfs/dbraw/zinc/35/18/71/419351871.db2.gz JRKJMEAUVULZLJ-UHFFFAOYSA-N 2 1 268.367 3.429 20 0 CGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCCC(F)(F)F ZINC000662177587 419351874 /nfs/dbraw/zinc/35/18/74/419351874.db2.gz JRKJMEAUVULZLJ-UHFFFAOYSA-N 2 1 268.367 3.429 20 0 CGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(C)cc1 ZINC000662306069 419388222 /nfs/dbraw/zinc/38/82/22/419388222.db2.gz WTYGIJGWXCLKII-INIZCTEOSA-N 2 1 260.425 3.207 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320696 419389253 /nfs/dbraw/zinc/38/92/53/419389253.db2.gz DJVJMEPUGXIYGB-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP COc1ccc(C)cc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315873 419390525 /nfs/dbraw/zinc/39/05/25/419390525.db2.gz UVEUNWGZWLHHMI-NVXWUHKLSA-N 2 1 290.451 3.343 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000657876807 419398536 /nfs/dbraw/zinc/39/85/36/419398536.db2.gz NQYAKWNVVPNCNG-CHWSQXEVSA-N 2 1 289.448 3.289 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2ccncc2s1 ZINC000657876807 419398539 /nfs/dbraw/zinc/39/85/39/419398539.db2.gz NQYAKWNVVPNCNG-CHWSQXEVSA-N 2 1 289.448 3.289 20 0 CGADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000662216729 419365069 /nfs/dbraw/zinc/36/50/69/419365069.db2.gz NGIJVBVQUUUVLL-QGZVFWFLSA-N 2 1 272.436 3.440 20 0 CGADMP C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000662243182 419371094 /nfs/dbraw/zinc/37/10/94/419371094.db2.gz GJYZJWJIAWDZRN-SMDDNHRTSA-N 2 1 284.856 3.101 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662244474 419372015 /nfs/dbraw/zinc/37/20/15/419372015.db2.gz HEBCUIPYKTTWSW-UAGQMJEPSA-N 2 1 272.436 3.166 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@H]2C2CCC2)c2c(c1)C[NH2+]CC2 ZINC000662258213 419372140 /nfs/dbraw/zinc/37/21/40/419372140.db2.gz SPOMJJFXDHJTRS-GOSISDBHSA-N 2 1 270.420 3.097 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCSCC1 ZINC000657822799 419372339 /nfs/dbraw/zinc/37/23/39/419372339.db2.gz BGQBTHWLVXRMEQ-LSDHHAIUSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255344 419373044 /nfs/dbraw/zinc/37/30/44/419373044.db2.gz CCCTXIIQCLANBA-AWEZNQCLSA-N 2 1 296.414 3.231 20 0 CGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@H]1CCc2ccccc21 ZINC000662272503 419379344 /nfs/dbraw/zinc/37/93/44/419379344.db2.gz FVQMIGHYVPOTAZ-IAGOWNOFSA-N 2 1 272.436 3.310 20 0 CGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267597 419380633 /nfs/dbraw/zinc/38/06/33/419380633.db2.gz XNCUKVGTKSKRGK-AHCXZYCDSA-N 2 1 272.436 3.239 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657837958 419382264 /nfs/dbraw/zinc/38/22/64/419382264.db2.gz KXAUGCFPXCWKTR-JKSUJKDBSA-N 2 1 284.513 3.374 20 0 CGADMP CO[C@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000662283112 419385401 /nfs/dbraw/zinc/38/54/01/419385401.db2.gz LHOFKTQGXLUCTC-NVXWUHKLSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)c1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000663317192 419552628 /nfs/dbraw/zinc/55/26/28/419552628.db2.gz LGWGRMKYIZLNJW-INIZCTEOSA-N 2 1 260.425 3.241 20 0 CGADMP C[N@H+](Cc1cn[nH]c1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663320772 419555395 /nfs/dbraw/zinc/55/53/95/419555395.db2.gz PXGNRLNEYOUPPL-UHFFFAOYSA-N 2 1 298.434 3.028 20 0 CGADMP C[N@@H+](Cc1cn[nH]c1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663320772 419555401 /nfs/dbraw/zinc/55/54/01/419555401.db2.gz PXGNRLNEYOUPPL-UHFFFAOYSA-N 2 1 298.434 3.028 20 0 CGADMP CC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663347848 419565889 /nfs/dbraw/zinc/56/58/89/419565889.db2.gz XTRGRIDHFRVADC-ARWYELJZSA-N 2 1 264.457 3.277 20 0 CGADMP COc1cccc(C2([NH2+]C[C@@H]([NH3+])CC(C)C)CCC2)c1 ZINC000663502157 419636498 /nfs/dbraw/zinc/63/64/98/419636498.db2.gz CUEMKXLCSOYFFG-HNNXBMFYSA-N 2 1 276.424 3.037 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000663509931 419639332 /nfs/dbraw/zinc/63/93/32/419639332.db2.gz BKRMYZJHZGJPGO-RYUDHWBXSA-N 2 1 288.357 3.224 20 0 CGADMP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466026 419616896 /nfs/dbraw/zinc/61/68/96/419616896.db2.gz NENVFPJLNBFYGQ-DOTOQJQBSA-N 2 1 288.435 3.369 20 0 CGADMP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466026 419616904 /nfs/dbraw/zinc/61/69/04/419616904.db2.gz NENVFPJLNBFYGQ-DOTOQJQBSA-N 2 1 288.435 3.369 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)C ZINC000663468921 419621942 /nfs/dbraw/zinc/62/19/42/419621942.db2.gz NIKTVCPPCOKZNO-HOTGVXAUSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)C ZINC000663468922 419622360 /nfs/dbraw/zinc/62/23/60/419622360.db2.gz NIKTVCPPCOKZNO-HZPDHXFCSA-N 2 1 252.446 3.133 20 0 CGADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471780 419626411 /nfs/dbraw/zinc/62/64/11/419626411.db2.gz YCYRMAGDCQXIPN-HOTGVXAUSA-N 2 1 264.457 3.277 20 0 CGADMP C1CC2(C1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227967 419685060 /nfs/dbraw/zinc/68/50/60/419685060.db2.gz FFVTYDSBLAFMLY-GDBMZVCRSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)CC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227967 419685066 /nfs/dbraw/zinc/68/50/66/419685066.db2.gz FFVTYDSBLAFMLY-GDBMZVCRSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC1C([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000658230072 419689307 /nfs/dbraw/zinc/68/93/07/419689307.db2.gz VSYUUOGEEFMNJK-OAHLLOKOSA-N 2 1 262.441 3.172 20 0 CGADMP C1CC1C([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000658230072 419689317 /nfs/dbraw/zinc/68/93/17/419689317.db2.gz VSYUUOGEEFMNJK-OAHLLOKOSA-N 2 1 262.441 3.172 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230472 419690740 /nfs/dbraw/zinc/69/07/40/419690740.db2.gz YWSMXZJDWSFPOJ-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230472 419690746 /nfs/dbraw/zinc/69/07/46/419690746.db2.gz YWSMXZJDWSFPOJ-HIFRSBDPSA-N 2 1 250.430 3.172 20 0 CGADMP C[NH2+]C[C@@H](C)[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000663512616 419641446 /nfs/dbraw/zinc/64/14/46/419641446.db2.gz GOFZRLLZNVEFKQ-MRXNPFEDSA-N 2 1 282.431 3.038 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000663515040 419642134 /nfs/dbraw/zinc/64/21/34/419642134.db2.gz YPIRNALQZFZKPC-LBPRGKRZSA-N 2 1 288.357 3.226 20 0 CGADMP CN(CCC[N@@H+](C)Cc1ccco1)c1[nH+]ccc2[nH]ccc21 ZINC000663909220 419751937 /nfs/dbraw/zinc/75/19/37/419751937.db2.gz GLLULEJGPABDBF-UHFFFAOYSA-N 2 1 298.390 3.114 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390748740 262250937 /nfs/dbraw/zinc/25/09/37/262250937.db2.gz RGDAKOCCSMVFBD-SJLPKXTDSA-N 2 1 272.436 3.287 20 0 CGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000040622213 270029617 /nfs/dbraw/zinc/02/96/17/270029617.db2.gz LOWGLPIIQSHNNC-AWEZNQCLSA-N 2 1 272.392 3.253 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000040622213 270029619 /nfs/dbraw/zinc/02/96/19/270029619.db2.gz LOWGLPIIQSHNNC-AWEZNQCLSA-N 2 1 272.392 3.253 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044534280 270036749 /nfs/dbraw/zinc/03/67/49/270036749.db2.gz UJKJGYTWEHJTNU-TZMCWYRMSA-N 2 1 266.454 3.357 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000187672338 270069157 /nfs/dbraw/zinc/06/91/57/270069157.db2.gz FFSWASPANARCHG-OAHLLOKOSA-N 2 1 278.440 3.420 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000187672338 270069158 /nfs/dbraw/zinc/06/91/58/270069158.db2.gz FFSWASPANARCHG-OAHLLOKOSA-N 2 1 278.440 3.420 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228819851 270088027 /nfs/dbraw/zinc/08/80/27/270088027.db2.gz MEWZSQUJFAFOOT-BZOOQXSSSA-N 2 1 278.415 3.392 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228819851 270088028 /nfs/dbraw/zinc/08/80/28/270088028.db2.gz MEWZSQUJFAFOOT-BZOOQXSSSA-N 2 1 278.415 3.392 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000321694483 270093238 /nfs/dbraw/zinc/09/32/38/270093238.db2.gz SFCZPOPNMNQZSA-HLLBOEOZSA-N 2 1 260.425 3.143 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000321694480 270093420 /nfs/dbraw/zinc/09/34/20/270093420.db2.gz SFCZPOPNMNQZSA-BFYDXBDKSA-N 2 1 260.425 3.143 20 0 CGADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000527537769 270128934 /nfs/dbraw/zinc/12/89/34/270128934.db2.gz GBSYSYWYTIMUDW-RDJZCZTQSA-N 2 1 287.451 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC2CCc3ccccc3CC2)CC[N@H+]1C ZINC000527935457 270145371 /nfs/dbraw/zinc/14/53/71/270145371.db2.gz YRFBMNKIVMUOQV-DNVCBOLYSA-N 2 1 286.463 3.254 20 0 CGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccnc(C)c1 ZINC000528810753 270173660 /nfs/dbraw/zinc/17/36/60/270173660.db2.gz HYCVTTPKGMNFSP-UHFFFAOYSA-N 2 1 297.446 3.474 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529531806 270182949 /nfs/dbraw/zinc/18/29/49/270182949.db2.gz UKQVDNTYMBSDTR-INIZCTEOSA-N 2 1 285.435 3.332 20 0 CGADMP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217223 270196240 /nfs/dbraw/zinc/19/62/40/270196240.db2.gz FRPNZJAPFRJWNZ-DLBZAZTESA-N 2 1 270.420 3.402 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)(C)c1ccccc1 ZINC000530218234 270196322 /nfs/dbraw/zinc/19/63/22/270196322.db2.gz IIQSETFXHYWHKR-GDBMZVCRSA-N 2 1 272.436 3.227 20 0 CGADMP CC(C)([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000530223575 270196640 /nfs/dbraw/zinc/19/66/40/270196640.db2.gz NSRIEWVMQPMIPX-GFCCVEGCSA-N 2 1 289.448 3.121 20 0 CGADMP CC(C)[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CC1 ZINC000531693053 270208903 /nfs/dbraw/zinc/20/89/03/270208903.db2.gz GBGUNTOJNITSQU-INIZCTEOSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000531693053 270208904 /nfs/dbraw/zinc/20/89/04/270208904.db2.gz GBGUNTOJNITSQU-INIZCTEOSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532522958 270216978 /nfs/dbraw/zinc/21/69/78/270216978.db2.gz KQOVIXXNKHFHFO-FMKPAKJESA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532522958 270216979 /nfs/dbraw/zinc/21/69/79/270216979.db2.gz KQOVIXXNKHFHFO-FMKPAKJESA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000532785352 270219555 /nfs/dbraw/zinc/21/95/55/270219555.db2.gz WZENOKDTNGNMKO-CVEARBPZSA-N 2 1 264.457 3.443 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000532785352 270219556 /nfs/dbraw/zinc/21/95/56/270219556.db2.gz WZENOKDTNGNMKO-CVEARBPZSA-N 2 1 264.457 3.443 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309947 270222854 /nfs/dbraw/zinc/22/28/54/270222854.db2.gz LAYIEXDTEFEXGE-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309947 270222855 /nfs/dbraw/zinc/22/28/55/270222855.db2.gz LAYIEXDTEFEXGE-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309947 270222856 /nfs/dbraw/zinc/22/28/56/270222856.db2.gz LAYIEXDTEFEXGE-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000235299122 287649103 /nfs/dbraw/zinc/64/91/03/287649103.db2.gz RTJCTQORYOHKEX-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000235587598 287649972 /nfs/dbraw/zinc/64/99/72/287649972.db2.gz RTJCTQORYOHKEX-KBPBESRZSA-N 2 1 252.446 3.275 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CCC2 ZINC000423507412 274133500 /nfs/dbraw/zinc/13/35/00/274133500.db2.gz INADSVZNAVUXFR-ROUUACIJSA-N 2 1 288.435 3.180 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCC[NH2+]C1 ZINC000423149078 274522251 /nfs/dbraw/zinc/52/22/51/274522251.db2.gz AIWZBFYCQDSXCC-UFGOTCBOSA-N 2 1 298.352 3.069 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@H]12 ZINC000261776284 274959708 /nfs/dbraw/zinc/95/97/08/274959708.db2.gz PDXMGNDEUIJCGE-LEWSCRJBSA-N 2 1 287.794 3.062 20 0 CGADMP CC(C)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000054555879 275560482 /nfs/dbraw/zinc/56/04/82/275560482.db2.gz AGUHJVGTIJSJPD-UHFFFAOYSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC12CCC2)[NH+]1CCCC1 ZINC000337382005 276018476 /nfs/dbraw/zinc/01/84/76/276018476.db2.gz DZZUYYFZIASBFB-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccn2)c1 ZINC000159011056 276076253 /nfs/dbraw/zinc/07/62/53/276076253.db2.gz PGMALOCEJUUNRD-OAHLLOKOSA-N 2 1 283.419 3.384 20 0 CGADMP CC1(C)CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000079624434 276102771 /nfs/dbraw/zinc/10/27/71/276102771.db2.gz GVEANOWEEIIWSO-LSDHHAIUSA-N 2 1 250.430 3.172 20 0 CGADMP CC1(C)CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000079624434 276102772 /nfs/dbraw/zinc/10/27/72/276102772.db2.gz GVEANOWEEIIWSO-LSDHHAIUSA-N 2 1 250.430 3.172 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000443405661 276149089 /nfs/dbraw/zinc/14/90/89/276149089.db2.gz KLUCSTSPSVHELP-DOTOQJQBSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000443405661 276149090 /nfs/dbraw/zinc/14/90/90/276149090.db2.gz KLUCSTSPSVHELP-DOTOQJQBSA-N 2 1 264.457 3.395 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000449351457 276152058 /nfs/dbraw/zinc/15/20/58/276152058.db2.gz POWJKLCMIPETEU-KRWDZBQOSA-N 2 1 276.399 3.277 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000037141645 276152170 /nfs/dbraw/zinc/15/21/70/276152170.db2.gz NPIPCRWWJZRFHJ-AAEUAGOBSA-N 2 1 278.362 3.181 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000514244234 276325007 /nfs/dbraw/zinc/32/50/07/276325007.db2.gz FBFDOUYUEQFFLS-JYJNAYRXSA-N 2 1 252.446 3.229 20 0 CGADMP CC[N@H+](CC[NH2+]C[C@@H](C)Cc1ccccc1)C(C)C ZINC000347356485 276348567 /nfs/dbraw/zinc/34/85/67/276348567.db2.gz RFEAMFPNMVULCJ-INIZCTEOSA-N 2 1 262.441 3.185 20 0 CGADMP CC[N@@H+](CC[NH2+]C[C@@H](C)Cc1ccccc1)C(C)C ZINC000347356485 276348568 /nfs/dbraw/zinc/34/85/68/276348568.db2.gz RFEAMFPNMVULCJ-INIZCTEOSA-N 2 1 262.441 3.185 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C(C)C ZINC000337332555 276348983 /nfs/dbraw/zinc/34/89/83/276348983.db2.gz ILBKMGWBUYWORU-AEFFLSMTSA-N 2 1 289.467 3.428 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C(C)C ZINC000337332555 276348984 /nfs/dbraw/zinc/34/89/84/276348984.db2.gz ILBKMGWBUYWORU-AEFFLSMTSA-N 2 1 289.467 3.428 20 0 CGADMP CCS[C@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000125170106 276399886 /nfs/dbraw/zinc/39/98/86/276399886.db2.gz PTMLBGAQXWWROJ-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP CCS[C@H]1CCCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125170106 276399888 /nfs/dbraw/zinc/39/98/88/276399888.db2.gz PTMLBGAQXWWROJ-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP CCS[C@H]1CCCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125170106 276399891 /nfs/dbraw/zinc/39/98/91/276399891.db2.gz PTMLBGAQXWWROJ-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000360246436 277031037 /nfs/dbraw/zinc/03/10/37/277031037.db2.gz VCJNBFKOOIGFQJ-NEPJUHHUSA-N 2 1 278.362 3.039 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000459797438 277053421 /nfs/dbraw/zinc/05/34/21/277053421.db2.gz WQGOQSHKBPKQHR-SUMWQHHRSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000270414485 277077499 /nfs/dbraw/zinc/07/74/99/277077499.db2.gz FCKJJTYUMXJZTG-KRWDZBQOSA-N 2 1 288.435 3.056 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328233 277078586 /nfs/dbraw/zinc/07/85/86/277078586.db2.gz VBRRBYFAVOIPRF-KBPBESRZSA-N 2 1 294.389 3.238 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328233 277078587 /nfs/dbraw/zinc/07/85/87/277078587.db2.gz VBRRBYFAVOIPRF-KBPBESRZSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328233 277078588 /nfs/dbraw/zinc/07/85/88/277078588.db2.gz VBRRBYFAVOIPRF-KBPBESRZSA-N 2 1 294.389 3.238 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328233 277078589 /nfs/dbraw/zinc/07/85/89/277078589.db2.gz VBRRBYFAVOIPRF-KBPBESRZSA-N 2 1 294.389 3.238 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000415001244 277133663 /nfs/dbraw/zinc/13/36/63/277133663.db2.gz MDURRMKWJNJVRY-MOKVOYLWSA-N 2 1 288.426 3.426 20 0 CGADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3cc(F)ccc32)C1 ZINC000302727227 277158138 /nfs/dbraw/zinc/15/81/38/277158138.db2.gz KGNXSMUHASKFDG-CXAGYDPISA-N 2 1 299.393 3.294 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3cc(F)ccc32)C1 ZINC000302727227 277158139 /nfs/dbraw/zinc/15/81/39/277158139.db2.gz KGNXSMUHASKFDG-CXAGYDPISA-N 2 1 299.393 3.294 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCSC3CCCCC3)C2)C1 ZINC000366535310 277160346 /nfs/dbraw/zinc/16/03/46/277160346.db2.gz WOSXPCFCWBBHFC-MRXNPFEDSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCSC3CCCCC3)C2)C1 ZINC000366535310 277160347 /nfs/dbraw/zinc/16/03/47/277160347.db2.gz WOSXPCFCWBBHFC-MRXNPFEDSA-N 2 1 282.497 3.080 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCSC3CCCCC3)C2)C1 ZINC000366535310 277160348 /nfs/dbraw/zinc/16/03/48/277160348.db2.gz WOSXPCFCWBBHFC-MRXNPFEDSA-N 2 1 282.497 3.080 20 0 CGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000268909463 277332220 /nfs/dbraw/zinc/33/22/20/277332220.db2.gz QMSGQAIAIIMZRD-DAXOMENPSA-N 2 1 296.842 3.100 20 0 CGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000086939105 277788860 /nfs/dbraw/zinc/78/88/60/277788860.db2.gz BMPPIGISNMWERD-CABCVRRESA-N 2 1 252.446 3.275 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000247295971 278019915 /nfs/dbraw/zinc/01/99/15/278019915.db2.gz OGKITHZDHHMGRS-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000247295971 278019916 /nfs/dbraw/zinc/01/99/16/278019916.db2.gz OGKITHZDHHMGRS-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000247295971 278019918 /nfs/dbraw/zinc/01/99/18/278019918.db2.gz OGKITHZDHHMGRS-WMZOPIPTSA-N 2 1 288.435 3.316 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCC3)CCCC1 ZINC000394813588 288004249 /nfs/dbraw/zinc/00/42/49/288004249.db2.gz LYKCIRLTUNQVCZ-AWEZNQCLSA-N 2 1 250.430 3.173 20 0 CGADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000396713147 288015674 /nfs/dbraw/zinc/01/56/74/288015674.db2.gz MZBBZYNRLXIHFE-LTDKPHRXSA-N 2 1 272.436 3.443 20 0 CGADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000449783493 278219930 /nfs/dbraw/zinc/21/99/30/278219930.db2.gz PKXFJLYVULQVCO-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000449783493 278219931 /nfs/dbraw/zinc/21/99/31/278219931.db2.gz PKXFJLYVULQVCO-GVDBMIGSSA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423399201 278222389 /nfs/dbraw/zinc/22/23/89/278222389.db2.gz WCYTTZHELFKESG-RBSFLKMASA-N 2 1 270.436 3.273 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226537688 278228652 /nfs/dbraw/zinc/22/86/52/278228652.db2.gz JHIBRCCIWZLGFL-GMXVVIOVSA-N 2 1 284.350 3.018 20 0 CGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1cn[nH]c1 ZINC000358367875 278254446 /nfs/dbraw/zinc/25/44/46/278254446.db2.gz LLLZFJBZRNQUJM-JKIFEVAISA-N 2 1 290.455 3.103 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000480600368 278258406 /nfs/dbraw/zinc/25/84/06/278258406.db2.gz IYBPCYIMOKMHRA-ZNMIVQPWSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000414874115 278286573 /nfs/dbraw/zinc/28/65/73/278286573.db2.gz YMJRKSXAECQCBH-FZMZJTMJSA-N 2 1 286.341 3.151 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000246117340 278331633 /nfs/dbraw/zinc/33/16/33/278331633.db2.gz YFJGZPUYHVUSCO-FUHWJXTLSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423468546 288059741 /nfs/dbraw/zinc/05/97/41/288059741.db2.gz OMFJPPRDLAATMC-NRUUGDAUSA-N 2 1 290.329 3.362 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371584 288085455 /nfs/dbraw/zinc/08/54/55/288085455.db2.gz YLTBZGFIEFIWLG-MOPGFXCFSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371584 288085457 /nfs/dbraw/zinc/08/54/57/288085457.db2.gz YLTBZGFIEFIWLG-MOPGFXCFSA-N 2 1 284.447 3.480 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371584 288085458 /nfs/dbraw/zinc/08/54/58/288085458.db2.gz YLTBZGFIEFIWLG-MOPGFXCFSA-N 2 1 284.447 3.480 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)C(C)C)CC1)CC(C)C ZINC000432777993 279176988 /nfs/dbraw/zinc/17/69/88/279176988.db2.gz CGOPTHOGRNGEPB-SFHVURJKSA-N 2 1 298.515 3.083 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252851773 288153516 /nfs/dbraw/zinc/15/35/16/288153516.db2.gz IETSKLZXCFPPBD-QMCVQRASSA-N 2 1 276.399 3.336 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351486411 288155583 /nfs/dbraw/zinc/15/55/83/288155583.db2.gz AHHAYJJHPCDPOL-SZYCXQDTSA-N 2 1 280.362 3.085 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527664379 288185176 /nfs/dbraw/zinc/18/51/76/288185176.db2.gz DPPZCDDWRAQJHF-NEPJUHHUSA-N 2 1 262.388 3.130 20 0 CGADMP C[C@H]1c2ccsc2CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251249733 280136440 /nfs/dbraw/zinc/13/64/40/280136440.db2.gz VHGAIZASLVWKJE-QWHCGFSZSA-N 2 1 264.438 3.057 20 0 CGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000181844424 280188272 /nfs/dbraw/zinc/18/82/72/280188272.db2.gz ZZRABSRIHXAALL-DOTOQJQBSA-N 2 1 276.424 3.220 20 0 CGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699261 281016184 /nfs/dbraw/zinc/01/61/84/281016184.db2.gz SEBPWTQTJNZIMN-LALPHHSUSA-N 2 1 266.816 3.460 20 0 CGADMP C[C@H]([NH2+]CC(C1CCC1)C1CCC1)c1c[nH+]ccc1N ZINC000530207913 288299761 /nfs/dbraw/zinc/29/97/61/288299761.db2.gz FFSHPTJSNIBEIA-LBPRGKRZSA-N 2 1 273.424 3.361 20 0 CGADMP FC(F)(F)c1cccc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000530209376 288300154 /nfs/dbraw/zinc/30/01/54/288300154.db2.gz XUMHOJGWCAEPNY-UHFFFAOYSA-N 2 1 298.352 3.063 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@H](C)[C@H]3CC3(C)C)CC2)[nH+]1 ZINC000487267721 281225246 /nfs/dbraw/zinc/22/52/46/281225246.db2.gz BVYUWEBUTOCASE-GDBMZVCRSA-N 2 1 287.451 3.383 20 0 CGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649284 281382442 /nfs/dbraw/zinc/38/24/42/281382442.db2.gz GGQIDZCHARMEJX-LSDHHAIUSA-N 2 1 258.409 3.130 20 0 CGADMP CC(C)=CCC[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000531703910 288341093 /nfs/dbraw/zinc/34/10/93/288341093.db2.gz KDXXJDQGXRUSFN-KRWDZBQOSA-N 2 1 294.483 3.356 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)s1 ZINC000531856661 288347695 /nfs/dbraw/zinc/34/76/95/288347695.db2.gz UEHIBVPKFGCQSX-UHFFFAOYSA-N 2 1 278.465 3.471 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CCC2 ZINC000359644030 282032906 /nfs/dbraw/zinc/03/29/06/282032906.db2.gz YRZYIHNYCRLVLO-ZDUSSCGKSA-N 2 1 281.469 3.149 20 0 CGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CCC2 ZINC000359644030 282032912 /nfs/dbraw/zinc/03/29/12/282032912.db2.gz YRZYIHNYCRLVLO-ZDUSSCGKSA-N 2 1 281.469 3.149 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3C=CCCCCC3)C2)C1 ZINC000549840876 289055526 /nfs/dbraw/zinc/05/55/26/289055526.db2.gz PRVARDVCKFPLOP-IAGOWNOFSA-N 2 1 262.441 3.293 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000552033596 289151968 /nfs/dbraw/zinc/15/19/68/289151968.db2.gz KHHWBQRBHWPAON-YESZJQIVSA-N 2 1 292.854 3.345 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)[C@H](C)C1 ZINC000552043703 289153901 /nfs/dbraw/zinc/15/39/01/289153901.db2.gz ZLMAIWBEAUDGHY-VSZNYVQBSA-N 2 1 296.499 3.148 20 0 CGADMP Cc1ccsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000552062352 289157492 /nfs/dbraw/zinc/15/74/92/289157492.db2.gz VDXYWRXNEYRTFY-ZNMIVQPWSA-N 2 1 278.465 3.061 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000552097875 289162718 /nfs/dbraw/zinc/16/27/18/289162718.db2.gz POJBHXMSGPMHDS-WBVHZDCISA-N 2 1 290.451 3.090 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000552097875 289162719 /nfs/dbraw/zinc/16/27/19/289162719.db2.gz POJBHXMSGPMHDS-WBVHZDCISA-N 2 1 290.451 3.090 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000552100676 289163193 /nfs/dbraw/zinc/16/31/93/289163193.db2.gz QPOKMBFVMXMAJB-OWCLPIDISA-N 2 1 270.436 3.369 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000552100676 289163197 /nfs/dbraw/zinc/16/31/97/289163197.db2.gz QPOKMBFVMXMAJB-OWCLPIDISA-N 2 1 270.436 3.369 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554348737 289272855 /nfs/dbraw/zinc/27/28/55/289272855.db2.gz FPPHJYKPEXANIB-WOJBJXKFSA-N 2 1 298.474 3.472 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554348735 289272866 /nfs/dbraw/zinc/27/28/66/289272866.db2.gz FPPHJYKPEXANIB-UXHICEINSA-N 2 1 298.474 3.472 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554361900 289275472 /nfs/dbraw/zinc/27/54/72/289275472.db2.gz KBZWQASYRZTAHO-YESZJQIVSA-N 2 1 264.457 3.275 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]21 ZINC000230046361 295310030 /nfs/dbraw/zinc/31/00/30/295310030.db2.gz SSZRTQBEYQAYSZ-BZZMCLGOSA-N 2 1 270.420 3.123 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c2ccccc2O1 ZINC000423159020 297286395 /nfs/dbraw/zinc/28/63/95/297286395.db2.gz OMMSFCYXWLVOFN-SLBVQIDZSA-N 2 1 274.408 3.148 20 0 CGADMP C[C@H](CCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414842199 298379434 /nfs/dbraw/zinc/37/94/34/298379434.db2.gz NZVJAJHGROZGKZ-ZYHUDNBSSA-N 2 1 266.351 3.215 20 0 CGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCCCC2)cc1F ZINC000423366908 303131207 /nfs/dbraw/zinc/13/12/07/303131207.db2.gz LSLUPITVDMPWRJ-YOEHRIQHSA-N 2 1 294.389 3.333 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401767414 321969464 /nfs/dbraw/zinc/96/94/64/321969464.db2.gz MLYHVUYXYYBRQR-CQSZACIVSA-N 2 1 287.407 3.102 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000564640900 322037414 /nfs/dbraw/zinc/03/74/14/322037414.db2.gz MMHRBHMLKHICTQ-UHFFFAOYSA-N 2 1 256.340 3.231 20 0 CGADMP C[C@@H](CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000564798740 322043276 /nfs/dbraw/zinc/04/32/76/322043276.db2.gz QTLLJDUJNDXMHF-DOTOQJQBSA-N 2 1 292.492 3.334 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CCC[N@@H+](C)C1 ZINC000564796897 322043583 /nfs/dbraw/zinc/04/35/83/322043583.db2.gz YHTHKHUEAFRJGY-CQSZACIVSA-N 2 1 269.392 3.297 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CCC[N@H+](C)C1 ZINC000564796897 322043586 /nfs/dbraw/zinc/04/35/86/322043586.db2.gz YHTHKHUEAFRJGY-CQSZACIVSA-N 2 1 269.392 3.297 20 0 CGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000565768862 322090218 /nfs/dbraw/zinc/09/02/18/322090218.db2.gz LKEPJATXEOWOFU-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000565768862 322090221 /nfs/dbraw/zinc/09/02/21/322090221.db2.gz LKEPJATXEOWOFU-CHWSQXEVSA-N 2 1 296.842 3.341 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C[C@@H]1OC ZINC000565811047 322091889 /nfs/dbraw/zinc/09/18/89/322091889.db2.gz SJRVEJQKGKETGQ-OAGGEKHMSA-N 2 1 282.472 3.044 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1c[nH+]ccc1N ZINC000565886272 322095491 /nfs/dbraw/zinc/09/54/91/322095491.db2.gz KVCHMLATIHVVRY-REWJHTLYSA-N 2 1 259.397 3.114 20 0 CGADMP CCCC[C@H]1CCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000566417000 322121312 /nfs/dbraw/zinc/12/13/12/322121312.db2.gz VAYMZPCSARPWFN-GOEBONIOSA-N 2 1 263.429 3.301 20 0 CGADMP CCCC[C@H]1CCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000566417001 322121433 /nfs/dbraw/zinc/12/14/33/322121433.db2.gz VAYMZPCSARPWFN-HOCLYGCPSA-N 2 1 263.429 3.301 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ncc(C)cc2C)C[C@H]1C ZINC000566794360 322138401 /nfs/dbraw/zinc/13/84/01/322138401.db2.gz ZXDWZBHGHRVUFF-SJORKVTESA-N 2 1 289.467 3.046 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ncc(C)cc2C)C[C@H]1C ZINC000566794358 322138468 /nfs/dbraw/zinc/13/84/68/322138468.db2.gz ZXDWZBHGHRVUFF-IAGOWNOFSA-N 2 1 289.467 3.046 20 0 CGADMP CC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000567520655 322166754 /nfs/dbraw/zinc/16/67/54/322166754.db2.gz ZUKINCVSCQDJNY-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP CC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000567520655 322166756 /nfs/dbraw/zinc/16/67/56/322166756.db2.gz ZUKINCVSCQDJNY-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP CC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000567520655 322166758 /nfs/dbraw/zinc/16/67/58/322166758.db2.gz ZUKINCVSCQDJNY-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CC34CC4)CC23CC3)cc1 ZINC000567853625 322179731 /nfs/dbraw/zinc/17/97/31/322179731.db2.gz IIOTXRAHGFXADP-IRXDYDNUSA-N 2 1 282.431 3.326 20 0 CGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CC34CC4)CC23CC3)cc1 ZINC000567853625 322179733 /nfs/dbraw/zinc/17/97/33/322179733.db2.gz IIOTXRAHGFXADP-IRXDYDNUSA-N 2 1 282.431 3.326 20 0 CGADMP COc1cc(C[NH2+]CCC[NH+]2CCC2)cc2ccccc21 ZINC000568237759 322199855 /nfs/dbraw/zinc/19/98/55/322199855.db2.gz FKRKQEFUUSXSJZ-UHFFFAOYSA-N 2 1 284.403 3.034 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccc(Cl)cc1 ZINC000569136315 322236467 /nfs/dbraw/zinc/23/64/67/322236467.db2.gz CFJFAUOVXHVFIQ-SWLSCSKDSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000569172557 322237766 /nfs/dbraw/zinc/23/77/66/322237766.db2.gz ZHCBRPBAEBUBPK-RBSFLKMASA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000569265132 322241570 /nfs/dbraw/zinc/24/15/70/322241570.db2.gz QUEQQSRHVDONFU-HOTGVXAUSA-N 2 1 264.457 3.373 20 0 CGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCC[NH2+]C(C)C)CCCO2 ZINC000569447787 322247467 /nfs/dbraw/zinc/24/74/67/322247467.db2.gz UCENEQWLXAILRU-KRWDZBQOSA-N 2 1 290.451 3.495 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000569916465 322260191 /nfs/dbraw/zinc/26/01/91/322260191.db2.gz KGRVSRYJTUEPMK-MAUKXSAKSA-N 2 1 274.452 3.254 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000569916465 322260193 /nfs/dbraw/zinc/26/01/93/322260193.db2.gz KGRVSRYJTUEPMK-MAUKXSAKSA-N 2 1 274.452 3.254 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569927655 322260874 /nfs/dbraw/zinc/26/08/74/322260874.db2.gz FLNCXTAFVGSSCE-MRXNPFEDSA-N 2 1 250.430 3.032 20 0 CGADMP C(C[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000570403186 322272749 /nfs/dbraw/zinc/27/27/49/322272749.db2.gz OZPYUQHGRMKGRP-DLBZAZTESA-N 2 1 264.457 3.421 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000570536271 322276194 /nfs/dbraw/zinc/27/61/94/322276194.db2.gz HMNJRHMRNQNUKN-OWCLPIDISA-N 2 1 278.827 3.302 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccsc2)C1 ZINC000570856962 322283935 /nfs/dbraw/zinc/28/39/35/322283935.db2.gz LMNPURFHHIDCRL-GOEBONIOSA-N 2 1 280.481 3.389 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000571154768 322291482 /nfs/dbraw/zinc/29/14/82/322291482.db2.gz WITOWTMPMBNMJA-GJZGRUSLSA-N 2 1 299.462 3.345 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000571154768 322291484 /nfs/dbraw/zinc/29/14/84/322291484.db2.gz WITOWTMPMBNMJA-GJZGRUSLSA-N 2 1 299.462 3.345 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000571327766 322295998 /nfs/dbraw/zinc/29/59/98/322295998.db2.gz GJFKLKBZGGTULN-CVEARBPZSA-N 2 1 252.446 3.441 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000582126950 327332582 /nfs/dbraw/zinc/33/25/82/327332582.db2.gz ZSKNPJHQPWRRTD-VPAKFMSCSA-N 2 1 284.447 3.395 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000584358963 329103735 /nfs/dbraw/zinc/10/37/35/329103735.db2.gz MOHVZKZLGDTHRO-LJQANCHMSA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000584358963 329103737 /nfs/dbraw/zinc/10/37/37/329103737.db2.gz MOHVZKZLGDTHRO-LJQANCHMSA-N 2 1 297.446 3.450 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000395141668 329280155 /nfs/dbraw/zinc/28/01/55/329280155.db2.gz CTZAUPOLLRHKFY-UHFFFAOYSA-N 2 1 268.832 3.326 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000582885991 329285501 /nfs/dbraw/zinc/28/55/01/329285501.db2.gz VYIVSCMIZRMCOD-MHORFTMASA-N 2 1 296.499 3.289 20 0 CGADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000576959801 335270417 /nfs/dbraw/zinc/27/04/17/335270417.db2.gz QOOQXJCULCZGPS-RRQGHBQHSA-N 2 1 286.444 3.024 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000576985081 335273502 /nfs/dbraw/zinc/27/35/02/335273502.db2.gz UAKAYKYZCWKCQZ-MWDXBVQZSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000576985081 335273504 /nfs/dbraw/zinc/27/35/04/335273504.db2.gz UAKAYKYZCWKCQZ-MWDXBVQZSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000576985081 335273505 /nfs/dbraw/zinc/27/35/05/335273505.db2.gz UAKAYKYZCWKCQZ-MWDXBVQZSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000576985081 335273506 /nfs/dbraw/zinc/27/35/06/335273506.db2.gz UAKAYKYZCWKCQZ-MWDXBVQZSA-N 2 1 264.457 3.251 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000576985081 335273508 /nfs/dbraw/zinc/27/35/08/335273508.db2.gz UAKAYKYZCWKCQZ-MWDXBVQZSA-N 2 1 264.457 3.251 20 0 CGADMP CCc1ccc(CNCc2ccc(Cn3ccnc3)cc2)o1 ZINC000177742848 335383114 /nfs/dbraw/zinc/38/31/14/335383114.db2.gz UVDDNARPAJJDEH-UHFFFAOYSA-N 2 1 295.386 3.377 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000182591790 335828731 /nfs/dbraw/zinc/82/87/31/335828731.db2.gz YIKJOCRWHUEDAV-WMLDXEAASA-N 2 1 262.441 3.195 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCC12CC2)[NH+]1CCCC1 ZINC000581141815 336015115 /nfs/dbraw/zinc/01/51/15/336015115.db2.gz AXWCRARNDCTYAS-LSDHHAIUSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1csc([C@H](NCC[C@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC000581278424 336035668 /nfs/dbraw/zinc/03/56/68/336035668.db2.gz YUBSQVWZIIVLEE-HUUCEWRRSA-N 2 1 293.480 3.367 20 0 CGADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380932813 336039871 /nfs/dbraw/zinc/03/98/71/336039871.db2.gz HPVBOXYAGDTRLF-BPQIPLTHSA-N 2 1 272.436 3.287 20 0 CGADMP c1ccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000383724429 336116891 /nfs/dbraw/zinc/11/68/91/336116891.db2.gz LUGJPFLPVVOVLC-OAHLLOKOSA-N 2 1 258.409 3.041 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000050339446 500616218 /nfs/dbraw/zinc/61/62/18/500616218.db2.gz CYCQUWRSTFUCRM-LBPRGKRZSA-N 2 1 252.427 3.272 20 0 CGADMP COc1cccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000177370624 533774750 /nfs/dbraw/zinc/77/47/50/533774750.db2.gz SVBAHOVFKMVOEG-AWEZNQCLSA-N 2 1 287.407 3.331 20 0 CGADMP Cc1cc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c(F)c1 ZINC000425341282 533809061 /nfs/dbraw/zinc/80/90/61/533809061.db2.gz WXFJIUTTXZDZCM-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP Cc1cc(F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(F)c1 ZINC000425341282 533809071 /nfs/dbraw/zinc/80/90/71/533809071.db2.gz WXFJIUTTXZDZCM-UHFFFAOYSA-N 2 1 282.378 3.047 20 0 CGADMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)cc2ccccc21 ZINC000449109729 533878009 /nfs/dbraw/zinc/87/80/09/533878009.db2.gz XXDIXYUHXPZDDH-UHFFFAOYSA-N 2 1 295.386 3.143 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000423501452 533995197 /nfs/dbraw/zinc/99/51/97/533995197.db2.gz DOAKIVHCGDDWDM-XHDPSFHLSA-N 2 1 298.377 3.456 20 0 CGADMP Cc1ccncc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368440866 534417859 /nfs/dbraw/zinc/41/78/59/534417859.db2.gz INFYEQBHPFCOBQ-GOSISDBHSA-N 2 1 295.430 3.002 20 0 CGADMP Fc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414919976 534438602 /nfs/dbraw/zinc/43/86/02/534438602.db2.gz YDQKIXHTMBLJHK-CQSZACIVSA-N 2 1 284.378 3.192 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)CC2 ZINC000420337198 534502330 /nfs/dbraw/zinc/50/23/30/534502330.db2.gz WNWORLBETNVWON-HDMKZQKVSA-N 2 1 288.410 3.135 20 0 CGADMP CCn1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000157907349 523470732 /nfs/dbraw/zinc/47/07/32/523470732.db2.gz DGSBVPUSRSTWEF-HOTGVXAUSA-N 2 1 292.471 3.066 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000157809274 524237573 /nfs/dbraw/zinc/23/75/73/524237573.db2.gz AFAVWZGDUKUUEB-YKWDICOMSA-N 2 1 272.436 3.313 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000157809274 524237579 /nfs/dbraw/zinc/23/75/79/524237579.db2.gz AFAVWZGDUKUUEB-YKWDICOMSA-N 2 1 272.436 3.313 20 0 CGADMP C[C@H](OCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000163373705 525903110 /nfs/dbraw/zinc/90/31/10/525903110.db2.gz MOFPDKPCHOVGHB-RYRKJORJSA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414221995 526814456 /nfs/dbraw/zinc/81/44/56/526814456.db2.gz DTAKTAGGCVNRBE-HOTGVXAUSA-N 2 1 287.451 3.096 20 0 CGADMP CC(C)(C)c1ccncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414221995 526814462 /nfs/dbraw/zinc/81/44/62/526814462.db2.gz DTAKTAGGCVNRBE-HOTGVXAUSA-N 2 1 287.451 3.096 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049330419 527431803 /nfs/dbraw/zinc/43/18/03/527431803.db2.gz CAHGRCQIVZACOY-VIFPVBQESA-N 2 1 269.801 3.257 20 0 CGADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787638 527470854 /nfs/dbraw/zinc/47/08/54/527470854.db2.gz VQSXDMHLIVLDIC-PUZHUATGSA-N 2 1 270.420 3.021 20 0 CGADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000157619562 527584666 /nfs/dbraw/zinc/58/46/66/527584666.db2.gz YZNWGRPSVSZBBI-HIFRSBDPSA-N 2 1 292.471 3.081 20 0 CGADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000157619562 527584668 /nfs/dbraw/zinc/58/46/68/527584668.db2.gz YZNWGRPSVSZBBI-HIFRSBDPSA-N 2 1 292.471 3.081 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C)c2)C[C@H]1C ZINC000449026076 527755650 /nfs/dbraw/zinc/75/56/50/527755650.db2.gz DXJHMKDBLOGUGY-IUODEOHRSA-N 2 1 266.454 3.361 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C)c2)C[C@H]1C ZINC000449026076 527755652 /nfs/dbraw/zinc/75/56/52/527755652.db2.gz DXJHMKDBLOGUGY-IUODEOHRSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C)c2)C[C@H]1C ZINC000449026076 527755655 /nfs/dbraw/zinc/75/56/55/527755655.db2.gz DXJHMKDBLOGUGY-IUODEOHRSA-N 2 1 266.454 3.361 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C)c2)C[C@H]1C ZINC000449026076 527755659 /nfs/dbraw/zinc/75/56/59/527755659.db2.gz DXJHMKDBLOGUGY-IUODEOHRSA-N 2 1 266.454 3.361 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369539841 527886951 /nfs/dbraw/zinc/88/69/51/527886951.db2.gz KMTZIKWXGJGGER-DLBZAZTESA-N 2 1 289.467 3.251 20 0 CGADMP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369539841 527886956 /nfs/dbraw/zinc/88/69/56/527886956.db2.gz KMTZIKWXGJGGER-DLBZAZTESA-N 2 1 289.467 3.251 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCCCOC(C)(C)C)CC1 ZINC000354855245 528194247 /nfs/dbraw/zinc/19/42/47/528194247.db2.gz LXUVBHVEJJQUSI-UHFFFAOYSA-N 2 1 284.488 3.388 20 0 CGADMP CC(C)C[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000355912981 528467162 /nfs/dbraw/zinc/46/71/62/528467162.db2.gz MJSYPYVNHSBCDV-HOTGVXAUSA-N 2 1 252.446 3.371 20 0 CGADMP CCCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424382811 528676463 /nfs/dbraw/zinc/67/64/63/528676463.db2.gz SWNPWONSZMKJCI-IAGOWNOFSA-N 2 1 276.424 3.225 20 0 CGADMP CC(C[NH+](C)CCC1CC1)C[N@@H+](C)CCC1CC1 ZINC000441249483 528705602 /nfs/dbraw/zinc/70/56/02/528705602.db2.gz WWZAGURJJGMNKV-UHFFFAOYSA-N 2 1 252.446 3.086 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423296836 528823539 /nfs/dbraw/zinc/82/35/39/528823539.db2.gz HQJYTWYEHUKYBX-YOEHRIQHSA-N 2 1 276.424 3.180 20 0 CGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)Cc1ccoc1)[NH+](C)C ZINC000449079496 528855910 /nfs/dbraw/zinc/85/59/10/528855910.db2.gz ZAZOBMFSJZSVFN-BBRMVZONSA-N 2 1 266.429 3.167 20 0 CGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507202 528894382 /nfs/dbraw/zinc/89/43/82/528894382.db2.gz JJVOYMWQYSBTSA-KNXWPPODSA-N 2 1 295.515 3.007 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000423287628 528951206 /nfs/dbraw/zinc/95/12/06/528951206.db2.gz NMRISBTZDBNWAE-OAHLLOKOSA-N 2 1 276.424 3.316 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000423301722 528958538 /nfs/dbraw/zinc/95/85/38/528958538.db2.gz URGLDLXRBBZDQX-SJLPKXTDSA-N 2 1 290.451 3.123 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3cccnc3o2)CC1 ZINC000449008170 528991539 /nfs/dbraw/zinc/99/15/39/528991539.db2.gz HWVJNYFVNGPEMG-UHFFFAOYSA-N 2 1 287.407 3.132 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3cccnc3o2)CC1 ZINC000449008170 528991540 /nfs/dbraw/zinc/99/15/40/528991540.db2.gz HWVJNYFVNGPEMG-UHFFFAOYSA-N 2 1 287.407 3.132 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CCCC1 ZINC000449109319 529004231 /nfs/dbraw/zinc/00/42/31/529004231.db2.gz XVTZZWPQWPLOCO-QGZVFWFLSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423364048 529125361 /nfs/dbraw/zinc/12/53/61/529125361.db2.gz JHJVQRMEOASJCZ-GWCFXTLKSA-N 2 1 274.330 3.339 20 0 CGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423279041 529201655 /nfs/dbraw/zinc/20/16/55/529201655.db2.gz QXJAJQPKOHOBFV-ZJUUUORDSA-N 2 1 258.818 3.180 20 0 CGADMP CCSc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423449561 529248166 /nfs/dbraw/zinc/24/81/66/529248166.db2.gz RUWORVHDVQKAED-TUAOUCFPSA-N 2 1 252.427 3.185 20 0 CGADMP CC[C@H](C1CCCCC1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423516334 529295715 /nfs/dbraw/zinc/29/57/15/529295715.db2.gz WOOYUHIKSFHPQA-FVQBIDKESA-N 2 1 252.446 3.262 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)[NH+]1CCCC1 ZINC000364727445 529368982 /nfs/dbraw/zinc/36/89/82/529368982.db2.gz FPBMNTBESJUSCM-XWTMOSNGSA-N 2 1 294.483 3.046 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000485709871 534955941 /nfs/dbraw/zinc/95/59/41/534955941.db2.gz GIMQJQFGVCNUJL-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000485709871 534955943 /nfs/dbraw/zinc/95/59/43/534955943.db2.gz GIMQJQFGVCNUJL-GFCCVEGCSA-N 2 1 284.806 3.301 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000480194920 535004099 /nfs/dbraw/zinc/00/40/99/535004099.db2.gz UIWBRRUAMXPKHD-GOSISDBHSA-N 2 1 274.452 3.328 20 0 CGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000125966966 535064557 /nfs/dbraw/zinc/06/45/57/535064557.db2.gz ICQPMPNVOPNNOK-CVEARBPZSA-N 2 1 292.471 3.235 20 0 CGADMP C[N@@H+](CCCC[NH2+]CCc1cccc(Cl)c1)C1CC1 ZINC000459586504 536339151 /nfs/dbraw/zinc/33/91/51/536339151.db2.gz KYCFPLAZEYSAPO-UHFFFAOYSA-N 2 1 280.843 3.347 20 0 CGADMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397956257 572493946 /nfs/dbraw/zinc/49/39/46/572493946.db2.gz BSPMVQBLTDUTQK-GILVVUIESA-N 2 1 258.409 3.063 20 0 CGADMP Cc1ccc(F)c(CNCc2ccnc(-n3ccnc3)c2)c1 ZINC000735084031 572700127 /nfs/dbraw/zinc/70/01/27/572700127.db2.gz BDPFSEXYTWVSFK-UHFFFAOYSA-N 2 1 296.349 3.005 20 0 CGADMP Clc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166383098 572814823 /nfs/dbraw/zinc/81/48/23/572814823.db2.gz FUTTZHYREVBKNA-LSDHHAIUSA-N 2 1 278.827 3.099 20 0 CGADMP [NH3+]C[C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000050245073 618081680 /nfs/dbraw/zinc/08/16/80/618081680.db2.gz YCYQRXLPFCPVEG-ZDUSSCGKSA-N 2 1 264.372 3.037 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261652203 618106624 /nfs/dbraw/zinc/10/66/24/618106624.db2.gz BCCLBRCPVBKJSM-YPMHNXCESA-N 2 1 286.341 3.183 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782184051 618736621 /nfs/dbraw/zinc/73/66/21/618736621.db2.gz QEIORBZZROREAV-AWEZNQCLSA-N 2 1 278.415 3.030 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccccc2C)CC1 ZINC000177050932 618778273 /nfs/dbraw/zinc/77/82/73/618778273.db2.gz VEQWSZKGLSUYDG-UHFFFAOYSA-N 2 1 290.451 3.180 20 0 CGADMP COC1CCC(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000892448575 618788107 /nfs/dbraw/zinc/78/81/07/618788107.db2.gz AUEOAGBXZPOZIO-KLAILNCOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CC(C)C)nc2)C1 ZINC000892745128 618929979 /nfs/dbraw/zinc/92/99/79/618929979.db2.gz KRZYICXWROBEAX-QGZVFWFLSA-N 2 1 289.467 3.102 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CC(C)C)nc2)C1 ZINC000892745128 618929980 /nfs/dbraw/zinc/92/99/80/618929980.db2.gz KRZYICXWROBEAX-QGZVFWFLSA-N 2 1 289.467 3.102 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000925539311 619037544 /nfs/dbraw/zinc/03/75/44/619037544.db2.gz BRNPXMVNBWBDFA-RNJOBUHISA-N 2 1 278.362 3.085 20 0 CGADMP CN1C[C@]2(C)C[N@H+]([C@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315042 619142553 /nfs/dbraw/zinc/14/25/53/619142553.db2.gz SOYSWOGLHGCTTC-YESZJQIVSA-N 2 1 262.441 3.149 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+]([C@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315042 619142554 /nfs/dbraw/zinc/14/25/54/619142554.db2.gz SOYSWOGLHGCTTC-YESZJQIVSA-N 2 1 262.441 3.149 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+]([C@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315042 619142555 /nfs/dbraw/zinc/14/25/55/619142555.db2.gz SOYSWOGLHGCTTC-YESZJQIVSA-N 2 1 262.441 3.149 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+]([C@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315042 619142558 /nfs/dbraw/zinc/14/25/58/619142558.db2.gz SOYSWOGLHGCTTC-YESZJQIVSA-N 2 1 262.441 3.149 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+]([C@H]3C=CCCCCC3)C[C@]2(C)C1 ZINC000931315042 619142560 /nfs/dbraw/zinc/14/25/60/619142560.db2.gz SOYSWOGLHGCTTC-YESZJQIVSA-N 2 1 262.441 3.149 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccccc1 ZINC000925712689 619158604 /nfs/dbraw/zinc/15/86/04/619158604.db2.gz ZBEGCZZDZAJXEU-FPMFFAJLSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000925714187 619159501 /nfs/dbraw/zinc/15/95/01/619159501.db2.gz WKBBEKCNKQRPHA-JEDBISTDSA-N 2 1 280.415 3.468 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)n1 ZINC000925765127 619225555 /nfs/dbraw/zinc/22/55/55/619225555.db2.gz JMIUJKGUCFVYGI-QLFBSQMISA-N 2 1 293.842 3.054 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000178510665 619236725 /nfs/dbraw/zinc/23/67/25/619236725.db2.gz RSJLHBKNKLRQMU-LSDHHAIUSA-N 2 1 288.435 3.004 20 0 CGADMP c1ccc2c(c1)cncc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000317877569 619257097 /nfs/dbraw/zinc/25/70/97/619257097.db2.gz STYSMIDVBRKJMW-QFBILLFUSA-N 2 1 295.430 3.199 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261532531 619287996 /nfs/dbraw/zinc/28/79/96/619287996.db2.gz ALUJBDKJTFVNFI-NVXWUHKLSA-N 2 1 260.425 3.285 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261532532 619288088 /nfs/dbraw/zinc/28/80/88/619288088.db2.gz ALUJBDKJTFVNFI-WBVHZDCISA-N 2 1 260.425 3.285 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261571930 619289270 /nfs/dbraw/zinc/28/92/70/619289270.db2.gz SECRUWDOIWAGHY-IMJJTQAJSA-N 2 1 278.827 3.208 20 0 CGADMP C[N@@H+](C/C=C/c1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000894002285 619349583 /nfs/dbraw/zinc/34/95/83/619349583.db2.gz OTQDZUSBBKMBDH-GQCTYLIASA-N 2 1 276.399 3.113 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2nccc3ccccc32)C1 ZINC000894783881 619635311 /nfs/dbraw/zinc/63/53/11/619635311.db2.gz ZJGZIMKBWSCOJY-QFBILLFUSA-N 2 1 295.430 3.151 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[C@H](C)C1 ZINC000894788102 619636048 /nfs/dbraw/zinc/63/60/48/619636048.db2.gz MEHQVQYIWBCHEE-LWDGUNTJSA-N 2 1 264.457 3.416 20 0 CGADMP CCc1nc(NC2CCC(C)([NH+]3CCC3)CC2)cc(C)[nH+]1 ZINC000896255575 619979089 /nfs/dbraw/zinc/97/90/89/619979089.db2.gz PPNISFPLLKVDCZ-UHFFFAOYSA-N 2 1 288.439 3.166 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000925135844 620052499 /nfs/dbraw/zinc/05/24/99/620052499.db2.gz ZMERNGBNRDPLGU-OAHLLOKOSA-N 2 1 263.429 3.386 20 0 CGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCCCC1 ZINC000898259707 620500472 /nfs/dbraw/zinc/50/04/72/620500472.db2.gz QCLHQWSCNMYWNR-OAHLLOKOSA-N 2 1 282.472 3.188 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cncc2ccccc21 ZINC000898308201 620510518 /nfs/dbraw/zinc/51/05/18/620510518.db2.gz RZXSCAHTGDHCRB-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cncc2ccccc21 ZINC000898308201 620510521 /nfs/dbraw/zinc/51/05/21/620510521.db2.gz RZXSCAHTGDHCRB-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1c(C)noc1C ZINC000902373457 621278992 /nfs/dbraw/zinc/27/89/92/621278992.db2.gz XLMXNIVZSDDYJJ-KBPBESRZSA-N 2 1 279.428 3.110 20 0 CGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902407579 621293272 /nfs/dbraw/zinc/29/32/72/621293272.db2.gz QZOGISUVXOXACA-GOSISDBHSA-N 2 1 296.414 3.060 20 0 CGADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000902413110 621322505 /nfs/dbraw/zinc/32/25/05/621322505.db2.gz IOKVFVHRPWRQKR-CYBMUJFWSA-N 2 1 286.341 3.483 20 0 CGADMP Clc1ccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC000902461536 621336159 /nfs/dbraw/zinc/33/61/59/621336159.db2.gz OLPAMWXNJPSYCF-BMQFZULRSA-N 2 1 290.838 3.459 20 0 CGADMP Clc1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902464987 621338747 /nfs/dbraw/zinc/33/87/47/621338747.db2.gz GHSIXXRALXVLGS-BSWAZPDLSA-N 2 1 290.838 3.144 20 0 CGADMP CNc1ccc(C)cc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000902626268 621388172 /nfs/dbraw/zinc/38/81/72/621388172.db2.gz SZHMURSMFVXRHM-QGZVFWFLSA-N 2 1 287.451 3.143 20 0 CGADMP CNc1ccc(C)cc1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000902626268 621388179 /nfs/dbraw/zinc/38/81/79/621388179.db2.gz SZHMURSMFVXRHM-QGZVFWFLSA-N 2 1 287.451 3.143 20 0 CGADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000902732036 621416298 /nfs/dbraw/zinc/41/62/98/621416298.db2.gz VRVPJNCKHAYZHF-GOSISDBHSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CCOCC1 ZINC000902735314 621419770 /nfs/dbraw/zinc/41/97/70/621419770.db2.gz BYOJKKSUARKLDX-QGZVFWFLSA-N 2 1 284.488 3.148 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]CCn1cc[nH+]c1C ZINC000902783124 621439291 /nfs/dbraw/zinc/43/92/91/621439291.db2.gz YASZJDRFFBVWJZ-FZKQIMNGSA-N 2 1 299.418 3.113 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902993961 621515224 /nfs/dbraw/zinc/51/52/24/621515224.db2.gz ZKGQDVVZKIDOKB-CGTJXYLNSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902993961 621515228 /nfs/dbraw/zinc/51/52/28/621515228.db2.gz ZKGQDVVZKIDOKB-CGTJXYLNSA-N 2 1 296.499 3.290 20 0 CGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903056171 621544965 /nfs/dbraw/zinc/54/49/65/621544965.db2.gz QVSSLCFBYXAUMM-ZXFUBFMLSA-N 2 1 262.441 3.314 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903076654 621558135 /nfs/dbraw/zinc/55/81/35/621558135.db2.gz TXRQEUZDWSNMKD-WYIYSYCWSA-N 2 1 250.430 3.168 20 0 CGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(F)c1 ZINC000903084061 621564700 /nfs/dbraw/zinc/56/47/00/621564700.db2.gz UODCFETVFNGDSP-VHRNVKJDSA-N 2 1 292.373 3.212 20 0 CGADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(F)c1 ZINC000903084061 621564702 /nfs/dbraw/zinc/56/47/02/621564702.db2.gz UODCFETVFNGDSP-VHRNVKJDSA-N 2 1 292.373 3.212 20 0 CGADMP CS[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903103341 621575304 /nfs/dbraw/zinc/57/53/04/621575304.db2.gz HBMBLOXAYGGRSQ-XZMUVTDLSA-N 2 1 280.481 3.018 20 0 CGADMP C[NH+](C)CC1(C[NH2+][C@@H](c2ccccn2)C2CC2)CCCC1 ZINC000903151324 621611396 /nfs/dbraw/zinc/61/13/96/621611396.db2.gz DUUOVBTUBSIVEY-QGZVFWFLSA-N 2 1 287.451 3.244 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430758 621743582 /nfs/dbraw/zinc/74/35/82/621743582.db2.gz AFRGBCXETAKMMF-SJORKVTESA-N 2 1 260.425 3.069 20 0 CGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438973 621748533 /nfs/dbraw/zinc/74/85/33/621748533.db2.gz AAVZPQWHKWPLEI-LGWLGOQQSA-N 2 1 276.399 3.064 20 0 CGADMP C[C@@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1CN ZINC000903424919 621751729 /nfs/dbraw/zinc/75/17/29/621751729.db2.gz LOBSMAOTOUBQGG-DTZQCDIJSA-N 2 1 294.389 3.095 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1CN ZINC000903424919 621751733 /nfs/dbraw/zinc/75/17/33/621751733.db2.gz LOBSMAOTOUBQGG-DTZQCDIJSA-N 2 1 294.389 3.095 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)C1 ZINC000903442479 621753622 /nfs/dbraw/zinc/75/36/22/621753622.db2.gz SBSLSUFEDCPLQU-RRFJBIMHSA-N 2 1 299.418 3.135 20 0 CGADMP CC[C@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@@H]1[NH3+] ZINC000903450298 621760477 /nfs/dbraw/zinc/76/04/77/621760477.db2.gz SWJQYMLEMXUXHQ-DRPJVOAASA-N 2 1 294.389 3.095 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903449862 621760784 /nfs/dbraw/zinc/76/07/84/621760784.db2.gz JCQGDVPDKZNUSD-FVQBIDKESA-N 2 1 294.389 3.096 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496767 621766903 /nfs/dbraw/zinc/76/69/03/621766903.db2.gz BYPZROUIRWIYCW-XHBSWPGZSA-N 2 1 282.378 3.333 20 0 CGADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903565660 621767587 /nfs/dbraw/zinc/76/75/87/621767587.db2.gz APFFFERWQYUJDK-XYVMCAHJSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903719315 621796175 /nfs/dbraw/zinc/79/61/75/621796175.db2.gz XZDLGXTWCWBIII-UONOGXRCSA-N 2 1 264.388 3.208 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccccc1CF)C1CCCCC1 ZINC000903753694 621800504 /nfs/dbraw/zinc/80/05/04/621800504.db2.gz WXCMNZLIENRAOL-INIZCTEOSA-N 2 1 264.388 3.153 20 0 CGADMP CC[N@H+](Cc1c(F)cccc1F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890200 621823381 /nfs/dbraw/zinc/82/33/81/621823381.db2.gz ZLSYBZBFUQHHDO-AGUYFDCRSA-N 2 1 294.389 3.317 20 0 CGADMP Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]([NH3+])CC(F)F)c(C)c1 ZINC000903880557 621825391 /nfs/dbraw/zinc/82/53/91/621825391.db2.gz UEGIOCPIBOMYJI-OLZOCXBDSA-N 2 1 270.367 3.279 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(F)F)c(C)c1 ZINC000903880557 621825392 /nfs/dbraw/zinc/82/53/92/621825392.db2.gz UEGIOCPIBOMYJI-OLZOCXBDSA-N 2 1 270.367 3.279 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000903885407 621826722 /nfs/dbraw/zinc/82/67/22/621826722.db2.gz HFYPROQLLJIQHA-DOMZBBRYSA-N 2 1 280.362 3.121 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000903885407 621826725 /nfs/dbraw/zinc/82/67/25/621826725.db2.gz HFYPROQLLJIQHA-DOMZBBRYSA-N 2 1 280.362 3.121 20 0 CGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903892558 621827721 /nfs/dbraw/zinc/82/77/21/621827721.db2.gz JOOYOVYPHGYORV-ZFWWWQNUSA-N 2 1 270.367 3.298 20 0 CGADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCC[C@H]21 ZINC000903902227 621830605 /nfs/dbraw/zinc/83/06/05/621830605.db2.gz FCGZECLJYDWVAF-RVRMEMIVSA-N 2 1 262.441 3.028 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903908862 621832249 /nfs/dbraw/zinc/83/22/49/621832249.db2.gz AFDOWRWRONOQIE-FUCXHRTASA-N 2 1 276.399 3.097 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903925650 621834053 /nfs/dbraw/zinc/83/40/53/621834053.db2.gz PEAREWQFBYUPIC-CABCVRRESA-N 2 1 284.394 3.360 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929398 621834266 /nfs/dbraw/zinc/83/42/66/621834266.db2.gz DKNIJWUHVPKCFH-HUUCEWRRSA-N 2 1 294.389 3.239 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929398 621834271 /nfs/dbraw/zinc/83/42/71/621834271.db2.gz DKNIJWUHVPKCFH-HUUCEWRRSA-N 2 1 294.389 3.239 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000903938511 621836306 /nfs/dbraw/zinc/83/63/06/621836306.db2.gz FGTWHJATVNVUKM-UHFFFAOYSA-N 2 1 281.450 3.089 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1csc(Cl)c1Cl ZINC000903939750 621838456 /nfs/dbraw/zinc/83/84/56/621838456.db2.gz LPNVYAGQISHKSC-UHFFFAOYSA-N 2 1 267.225 3.272 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903973950 621844382 /nfs/dbraw/zinc/84/43/82/621844382.db2.gz QYMSHWGEFCJUIB-CGZBRXJRSA-N 2 1 294.483 3.094 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2CCCc2ccccc2)C1 ZINC000904325219 621907421 /nfs/dbraw/zinc/90/74/21/621907421.db2.gz SYLFKHRZJICNRO-FGTMMUONSA-N 2 1 272.436 3.211 20 0 CGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342700 621909580 /nfs/dbraw/zinc/90/95/80/621909580.db2.gz NUPXKJSJQZYEDT-KSZLIROESA-N 2 1 272.436 3.069 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)F)c(F)c1)C2 ZINC000904374792 621914828 /nfs/dbraw/zinc/91/48/28/621914828.db2.gz XKDWGAPEBBRNDU-LRDDRELGSA-N 2 1 298.352 3.324 20 0 CGADMP CCSc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904411717 621918962 /nfs/dbraw/zinc/91/89/62/621918962.db2.gz WYHHJQWSIJPTJC-DZGCQCFKSA-N 2 1 278.465 3.215 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cnco3)cc2)CC1(C)C ZINC000906516601 622241964 /nfs/dbraw/zinc/24/19/64/622241964.db2.gz PNBUFNZYBSHULC-MRXNPFEDSA-N 2 1 299.418 3.304 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cnco3)cc2)CC1(C)C ZINC000906516601 622241969 /nfs/dbraw/zinc/24/19/69/622241969.db2.gz PNBUFNZYBSHULC-MRXNPFEDSA-N 2 1 299.418 3.304 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC[C@@H]21 ZINC000906590432 622251306 /nfs/dbraw/zinc/25/13/06/622251306.db2.gz JEXMOMUKIVCAFD-NRSFXHEJSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC[C@@H]21 ZINC000906590432 622251309 /nfs/dbraw/zinc/25/13/09/622251309.db2.gz JEXMOMUKIVCAFD-NRSFXHEJSA-N 2 1 288.410 3.098 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC[C@@H]21 ZINC000906590432 622251310 /nfs/dbraw/zinc/25/13/10/622251310.db2.gz JEXMOMUKIVCAFD-NRSFXHEJSA-N 2 1 288.410 3.098 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000055144460 622813757 /nfs/dbraw/zinc/81/37/57/622813757.db2.gz ONXMNZGFXDPSRT-UHFFFAOYSA-N 2 1 252.789 3.042 20 0 CGADMP CCCCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000157700323 622942657 /nfs/dbraw/zinc/94/26/57/622942657.db2.gz QSHLZHOCESVZLB-HDICACEKSA-N 2 1 295.515 3.057 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@H]21 ZINC000228534697 623060902 /nfs/dbraw/zinc/06/09/02/623060902.db2.gz PSJIHHMPWMLPGU-RRFJBIMHSA-N 2 1 280.362 3.183 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231455557 623323722 /nfs/dbraw/zinc/32/37/22/623323722.db2.gz FLMOKLSFCNQCHZ-HNNXBMFYSA-N 2 1 266.816 3.222 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Cl)s1 ZINC000020043186 634474469 /nfs/dbraw/zinc/47/44/69/634474469.db2.gz PYONUFZULILYTE-UHFFFAOYSA-N 2 1 260.834 3.079 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Cl)s1 ZINC000020052210 634477233 /nfs/dbraw/zinc/47/72/33/634477233.db2.gz LKXJBPNXBXTPLK-UHFFFAOYSA-N 2 1 260.834 3.223 20 0 CGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC[NH2+]C1CC1 ZINC000923317775 626145157 /nfs/dbraw/zinc/14/51/57/626145157.db2.gz WDMAYPAJDQINQY-ZFWWWQNUSA-N 2 1 276.399 3.146 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)CCC[NH2+]C2CC2)s1 ZINC000923324875 626146399 /nfs/dbraw/zinc/14/63/99/626146399.db2.gz MIVPURGEWNCVPT-GFCCVEGCSA-N 2 1 281.469 3.149 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC[NH2+]C2CC2)s1 ZINC000923324875 626146401 /nfs/dbraw/zinc/14/64/01/626146401.db2.gz MIVPURGEWNCVPT-GFCCVEGCSA-N 2 1 281.469 3.149 20 0 CGADMP c1ccc([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923385585 626150555 /nfs/dbraw/zinc/15/05/55/626150555.db2.gz AXRXHHUHUCMLIK-INIZCTEOSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923495914 626157792 /nfs/dbraw/zinc/15/77/92/626157792.db2.gz GDNRSPVILHSDPF-GOEBONIOSA-N 2 1 268.404 3.257 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)on2)cc1 ZINC000923497672 626158542 /nfs/dbraw/zinc/15/85/42/626158542.db2.gz IOUKRLJZNGFHEH-ZBFHGGJFSA-N 2 1 299.418 3.067 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@@H]1C[NH3+] ZINC000923500738 626159672 /nfs/dbraw/zinc/15/96/72/626159672.db2.gz XXUYIRXKGLPBJO-CHWSQXEVSA-N 2 1 274.433 3.318 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518351 626160408 /nfs/dbraw/zinc/16/04/08/626160408.db2.gz DGHZAWKGDYDKLI-LSDHHAIUSA-N 2 1 290.410 3.298 20 0 CGADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923531697 626161685 /nfs/dbraw/zinc/16/16/85/626161685.db2.gz SHRQRTIUJCJYHA-HOCLYGCPSA-N 2 1 278.465 3.145 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000755047638 626598048 /nfs/dbraw/zinc/59/80/48/626598048.db2.gz HXRRIKPDVGWQDU-INIZCTEOSA-N 2 1 263.429 3.100 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000765773880 627269596 /nfs/dbraw/zinc/26/95/96/627269596.db2.gz ANIRMRXODHRLFR-ROUUACIJSA-N 3 1 295.515 3.105 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CCN1C ZINC000765773880 627269599 /nfs/dbraw/zinc/26/95/99/627269599.db2.gz ANIRMRXODHRLFR-ROUUACIJSA-N 2 1 295.515 3.105 20 0 CGADMP CCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765977085 627283185 /nfs/dbraw/zinc/28/31/85/627283185.db2.gz PVAXGKIWXCBPMS-RDJZCZTQSA-N 2 1 282.472 3.188 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(C(F)F)C1 ZINC000768677829 627492648 /nfs/dbraw/zinc/49/26/48/627492648.db2.gz KGBJZETXDZPHTO-IYXRBSQSSA-N 2 1 274.399 3.274 20 0 CGADMP C[N@H+](Cc1cncc2ccccc21)CC1CC[NH+](C)CC1 ZINC000769331610 627542215 /nfs/dbraw/zinc/54/22/15/627542215.db2.gz UGNBPNWJMDDINX-UHFFFAOYSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](CC)CCC[N@H+](C)CCc1ccccc1F ZINC000769456812 627555183 /nfs/dbraw/zinc/55/51/83/627555183.db2.gz OWZIIWVRYWWNPL-UHFFFAOYSA-N 2 1 266.404 3.032 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)CCc1ccccc1F ZINC000769456812 627555186 /nfs/dbraw/zinc/55/51/86/627555186.db2.gz OWZIIWVRYWWNPL-UHFFFAOYSA-N 2 1 266.404 3.032 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cncc3ccccc32)CC[N@@H+]1C ZINC000769484051 627559407 /nfs/dbraw/zinc/55/94/07/627559407.db2.gz BTUAIKZIGLYKRH-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2cncc3ccccc32)CC[N@H+]1C ZINC000769484051 627559409 /nfs/dbraw/zinc/55/94/09/627559409.db2.gz BTUAIKZIGLYKRH-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cncc3ccccc32)CC[NH+]1C ZINC000769484051 627559412 /nfs/dbraw/zinc/55/94/12/627559412.db2.gz BTUAIKZIGLYKRH-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cncc3ccccc32)CC[NH+]1C ZINC000769484051 627559415 /nfs/dbraw/zinc/55/94/15/627559415.db2.gz BTUAIKZIGLYKRH-WMLDXEAASA-N 2 1 283.419 3.149 20 0 CGADMP FCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000777592403 628286388 /nfs/dbraw/zinc/28/63/88/628286388.db2.gz QEOYWCYBKXBNJD-GOSISDBHSA-N 2 1 290.426 3.464 20 0 CGADMP FCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000777592403 628286390 /nfs/dbraw/zinc/28/63/90/628286390.db2.gz QEOYWCYBKXBNJD-GOSISDBHSA-N 2 1 290.426 3.464 20 0 CGADMP C[NH+]1CCC(C[N@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000788483245 629057894 /nfs/dbraw/zinc/05/78/94/629057894.db2.gz VFRSIJPFVFQABK-UHFFFAOYSA-N 2 1 282.497 3.080 20 0 CGADMP Cc1c(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)ccnc1F ZINC000862271233 629334735 /nfs/dbraw/zinc/33/47/35/629334735.db2.gz HQDNHYBZBJLYRZ-AWEZNQCLSA-N 2 1 293.430 3.131 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863654310 629634057 /nfs/dbraw/zinc/63/40/57/629634057.db2.gz WHQJOROFHVCJGD-ZFWWWQNUSA-N 2 1 266.816 3.290 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)C12CCC2 ZINC000864055513 629750798 /nfs/dbraw/zinc/75/07/98/629750798.db2.gz RLLIPLGBCNPMDR-NXEZZACHSA-N 2 1 290.354 3.126 20 0 CGADMP C[N@@H+](C[C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796460701 629783970 /nfs/dbraw/zinc/78/39/70/629783970.db2.gz ATMPUKUSUOTKLJ-HRBLRVMOSA-N 2 1 284.447 3.273 20 0 CGADMP C[NH+](C[C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796460701 629783975 /nfs/dbraw/zinc/78/39/75/629783975.db2.gz ATMPUKUSUOTKLJ-HRBLRVMOSA-N 2 1 284.447 3.273 20 0 CGADMP C[NH+](C[C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796460701 629783978 /nfs/dbraw/zinc/78/39/78/629783978.db2.gz ATMPUKUSUOTKLJ-HRBLRVMOSA-N 2 1 284.447 3.273 20 0 CGADMP CC(C)C[C@@H](C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178558 630153357 /nfs/dbraw/zinc/15/33/57/630153357.db2.gz UGUNVELMXHYHDE-MRXNPFEDSA-N 2 1 266.473 3.476 20 0 CGADMP CC(C)(C)OC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000865697902 630386221 /nfs/dbraw/zinc/38/62/21/630386221.db2.gz CYEWWYFFHCMPOX-VUROTCPHSA-N 2 1 294.483 3.329 20 0 CGADMP C(CC1CC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285485 635443805 /nfs/dbraw/zinc/44/38/05/635443805.db2.gz AMUBBRUEVUYWPZ-NVXWUHKLSA-N 2 1 262.441 3.125 20 0 CGADMP C(CC1CC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285485 635443811 /nfs/dbraw/zinc/44/38/11/635443811.db2.gz AMUBBRUEVUYWPZ-NVXWUHKLSA-N 2 1 262.441 3.125 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cncc2ccccc21 ZINC000809765303 630802265 /nfs/dbraw/zinc/80/22/65/630802265.db2.gz MISPZXNXUKTWMR-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cncc2ccccc21 ZINC000809765303 630802267 /nfs/dbraw/zinc/80/22/67/630802267.db2.gz MISPZXNXUKTWMR-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cncc2ccccc21 ZINC000809765303 630802268 /nfs/dbraw/zinc/80/22/68/630802268.db2.gz MISPZXNXUKTWMR-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cncc2ccccc21 ZINC000809765303 630802270 /nfs/dbraw/zinc/80/22/70/630802270.db2.gz MISPZXNXUKTWMR-KSSFIOAISA-N 2 1 283.419 3.007 20 0 CGADMP C=Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000812734242 631298945 /nfs/dbraw/zinc/29/89/45/631298945.db2.gz JSZFOBIITGGBAU-AYHJJNSGSA-N 2 1 270.420 3.087 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2C)C1 ZINC000815560278 631795698 /nfs/dbraw/zinc/79/56/98/631795698.db2.gz CNCIEFSHILVUMD-KBPBESRZSA-N 2 1 264.388 3.127 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Cl)nc1 ZINC000817938082 632237741 /nfs/dbraw/zinc/23/77/41/632237741.db2.gz DBOCMOSSDNHKAM-NSHDSACASA-N 2 1 267.804 3.047 20 0 CGADMP CCOc1cccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000817938287 632238794 /nfs/dbraw/zinc/23/87/94/632238794.db2.gz IHVYIBVDMVBPCV-CQSZACIVSA-N 2 1 276.424 3.398 20 0 CGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc2c(c1)CCO2 ZINC000817958695 632253138 /nfs/dbraw/zinc/25/31/38/632253138.db2.gz LRIZUPICKRFDAW-JKSUJKDBSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@@H](CSC(C)(C)C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000817958709 632253798 /nfs/dbraw/zinc/25/37/98/632253798.db2.gz LVEAOXNAKKISNB-GXTWGEPZSA-N 2 1 272.502 3.404 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000817972667 632265785 /nfs/dbraw/zinc/26/57/85/632265785.db2.gz ZPALWPLRPGRYQI-CSFVBSKPSA-N 2 1 276.399 3.192 20 0 CGADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000817972219 632266393 /nfs/dbraw/zinc/26/63/93/632266393.db2.gz VGANSJSPKUHJGM-DKIMLUQUSA-N 2 1 272.436 3.443 20 0 CGADMP Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c2cc(F)ccc2[nH+]1 ZINC000866204204 633028946 /nfs/dbraw/zinc/02/89/46/633028946.db2.gz BCQVCVAQPNHTIU-CXAGYDPISA-N 2 1 299.393 3.213 20 0 CGADMP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000866208943 633029749 /nfs/dbraw/zinc/02/97/49/633029749.db2.gz YDOLSLKPVYSYMH-WMLDXEAASA-N 2 1 281.403 3.074 20 0 CGADMP CC(C)[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccn1 ZINC000866346414 633090987 /nfs/dbraw/zinc/09/09/87/633090987.db2.gz LQFLBKPKPIMUTQ-KRWDZBQOSA-N 2 1 289.467 3.490 20 0 CGADMP C[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866584097 633202485 /nfs/dbraw/zinc/20/24/85/633202485.db2.gz MJZIHPFGDQNRDL-NJAFHUGGSA-N 2 1 272.436 3.034 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584097 633202488 /nfs/dbraw/zinc/20/24/88/633202488.db2.gz MJZIHPFGDQNRDL-NJAFHUGGSA-N 2 1 272.436 3.034 20 0 CGADMP C[C@H](CCc1ccccc1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584097 633202489 /nfs/dbraw/zinc/20/24/89/633202489.db2.gz MJZIHPFGDQNRDL-NJAFHUGGSA-N 2 1 272.436 3.034 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000866708290 633235264 /nfs/dbraw/zinc/23/52/64/633235264.db2.gz MHHKMOXOFJRNMY-INIZCTEOSA-N 2 1 296.842 3.243 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000866708290 633235281 /nfs/dbraw/zinc/23/52/81/633235281.db2.gz MHHKMOXOFJRNMY-INIZCTEOSA-N 2 1 296.842 3.243 20 0 CGADMP C[C@H]1Cc2[nH+]cn(CCCCCCC[NH3+])c2C[C@@H]1C ZINC000830409377 633860781 /nfs/dbraw/zinc/86/07/81/633860781.db2.gz NSIFXXJNAJMPSW-KBPBESRZSA-N 2 1 263.429 3.163 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000872022103 633942263 /nfs/dbraw/zinc/94/22/63/633942263.db2.gz TWJKEPNHDQCKIN-RYUDHWBXSA-N 2 1 278.362 3.181 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872026104 633946382 /nfs/dbraw/zinc/94/63/82/633946382.db2.gz AWVKIRYFDPTIEB-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872026104 633946385 /nfs/dbraw/zinc/94/63/85/633946385.db2.gz AWVKIRYFDPTIEB-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000872144643 634064637 /nfs/dbraw/zinc/06/46/37/634064637.db2.gz CQJYNSFCFCPIKC-IBGZPJMESA-N 2 1 297.446 3.432 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C(F)(F)F)cn1 ZINC000872155545 634066192 /nfs/dbraw/zinc/06/61/92/634066192.db2.gz PIXVJXMTBPXDGR-UHFFFAOYSA-N 2 1 289.345 3.051 20 0 CGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000872156442 634067962 /nfs/dbraw/zinc/06/79/62/634067962.db2.gz JWOVSJOAQUOYKU-GDBMZVCRSA-N 2 1 250.430 3.016 20 0 CGADMP CCCCCC[N@@H+](C)CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000832794474 634097687 /nfs/dbraw/zinc/09/76/87/634097687.db2.gz WOWLFNAJIKPGLC-CQSZACIVSA-N 2 1 291.439 3.157 20 0 CGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccnc1Cl ZINC000834908637 634283583 /nfs/dbraw/zinc/28/35/83/634283583.db2.gz GEPRFEMNGSGRQX-LBPRGKRZSA-N 2 1 281.831 3.260 20 0 CGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876933722 634930541 /nfs/dbraw/zinc/93/05/41/634930541.db2.gz XLCLDROWVPZCDR-OLZOCXBDSA-N 2 1 293.282 3.282 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CC1(F)F ZINC000877733247 635166529 /nfs/dbraw/zinc/16/65/29/635166529.db2.gz PPLHNSABKVLMON-AEGPPILISA-N 2 1 286.410 3.417 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CC1(F)F ZINC000877733247 635166534 /nfs/dbraw/zinc/16/65/34/635166534.db2.gz PPLHNSABKVLMON-AEGPPILISA-N 2 1 286.410 3.417 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000877738121 635170510 /nfs/dbraw/zinc/17/05/10/635170510.db2.gz AASUPIIBQXUURY-ZWKOTPCHSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000877738121 635170516 /nfs/dbraw/zinc/17/05/16/635170516.db2.gz AASUPIIBQXUURY-ZWKOTPCHSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000877738121 635170524 /nfs/dbraw/zinc/17/05/24/635170524.db2.gz AASUPIIBQXUURY-ZWKOTPCHSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000877738121 635170530 /nfs/dbraw/zinc/17/05/30/635170530.db2.gz AASUPIIBQXUURY-ZWKOTPCHSA-N 2 1 270.420 3.090 20 0 CGADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)OC1 ZINC000878120476 635365667 /nfs/dbraw/zinc/36/56/67/635365667.db2.gz IOYHSLYDOJDSTO-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148006 635378466 /nfs/dbraw/zinc/37/84/66/635378466.db2.gz LKQHZYQSPHYHTP-CVEARBPZSA-N 2 1 296.499 3.244 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCSC(C)(C)C)CC[C@H]21 ZINC000878196567 635408904 /nfs/dbraw/zinc/40/89/04/635408904.db2.gz GETMKACLXYTBAU-HUUCEWRRSA-N 2 1 284.513 3.324 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCSC(C)(C)C)CC[C@H]21 ZINC000878196567 635408913 /nfs/dbraw/zinc/40/89/13/635408913.db2.gz GETMKACLXYTBAU-HUUCEWRRSA-N 2 1 284.513 3.324 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCSC(C)(C)C)CC[C@H]21 ZINC000878196567 635408917 /nfs/dbraw/zinc/40/89/17/635408917.db2.gz GETMKACLXYTBAU-HUUCEWRRSA-N 2 1 284.513 3.324 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842925675 635512908 /nfs/dbraw/zinc/51/29/08/635512908.db2.gz ZZJIKRRPIHBWQB-YDZRNGNQSA-N 2 1 286.463 3.356 20 0 CGADMP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000843062160 635554829 /nfs/dbraw/zinc/55/48/29/635554829.db2.gz MCWGZDSYKKIGOV-HOTGVXAUSA-N 2 1 280.362 3.101 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000843062160 635554838 /nfs/dbraw/zinc/55/48/38/635554838.db2.gz MCWGZDSYKKIGOV-HOTGVXAUSA-N 2 1 280.362 3.101 20 0 CGADMP CC1(C)CC[C@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)OC1 ZINC000879202447 635724539 /nfs/dbraw/zinc/72/45/39/635724539.db2.gz GBSVTAASWCWENK-MRXNPFEDSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000879580263 635816616 /nfs/dbraw/zinc/81/66/16/635816616.db2.gz GKCZNRLPSMFISM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000879580263 635816621 /nfs/dbraw/zinc/81/66/21/635816621.db2.gz GKCZNRLPSMFISM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000879580263 635816626 /nfs/dbraw/zinc/81/66/26/635816626.db2.gz GKCZNRLPSMFISM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000879580263 635816631 /nfs/dbraw/zinc/81/66/31/635816631.db2.gz GKCZNRLPSMFISM-NVXWUHKLSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cc2cnccc2o1 ZINC000879712272 635840002 /nfs/dbraw/zinc/84/00/02/635840002.db2.gz IMNSTKOWRCVIIS-ZFWWWQNUSA-N 2 1 287.407 3.353 20 0 CGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cc2cnccc2o1 ZINC000879712272 635840004 /nfs/dbraw/zinc/84/00/04/635840004.db2.gz IMNSTKOWRCVIIS-ZFWWWQNUSA-N 2 1 287.407 3.353 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880204214 635936533 /nfs/dbraw/zinc/93/65/33/635936533.db2.gz SAHSWJAGKMULTB-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880204214 635936537 /nfs/dbraw/zinc/93/65/37/635936537.db2.gz SAHSWJAGKMULTB-SOLBZPMBSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1c2sccc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000880377154 635988490 /nfs/dbraw/zinc/98/84/90/635988490.db2.gz PQPISEJTUUXINJ-GXTWGEPZSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2sccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000880377154 635988495 /nfs/dbraw/zinc/98/84/95/635988495.db2.gz PQPISEJTUUXINJ-GXTWGEPZSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2sccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000880377154 635988498 /nfs/dbraw/zinc/98/84/98/635988498.db2.gz PQPISEJTUUXINJ-GXTWGEPZSA-N 2 1 264.438 3.152 20 0 CGADMP C[C@H]1c2sccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000880377154 635988500 /nfs/dbraw/zinc/98/85/00/635988500.db2.gz PQPISEJTUUXINJ-GXTWGEPZSA-N 2 1 264.438 3.152 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CC2(CCC2)CO1 ZINC000880517447 636013342 /nfs/dbraw/zinc/01/33/42/636013342.db2.gz RFRWCCNTEZOZBQ-QGZVFWFLSA-N 2 1 294.483 3.144 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1Br ZINC000128976563 636106250 /nfs/dbraw/zinc/10/62/50/636106250.db2.gz LDDKWPKFPTYGAN-NWDGAFQWSA-N 2 1 297.240 3.242 20 0 CGADMP COc1ccccc1[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219167 636161873 /nfs/dbraw/zinc/16/18/73/636161873.db2.gz IXVLBDGYHUWBDZ-OAHLLOKOSA-N 2 1 276.424 3.004 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000106383357 636190645 /nfs/dbraw/zinc/19/06/45/636190645.db2.gz CYUICDFFVYRJOZ-UHFFFAOYSA-N 2 1 296.499 3.126 20 0 CGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000131729521 636745334 /nfs/dbraw/zinc/74/53/34/636745334.db2.gz BQCPQBUIMDNEGY-HIFRSBDPSA-N 2 1 260.425 3.153 20 0 CGADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)O1 ZINC000883429463 636751638 /nfs/dbraw/zinc/75/16/38/636751638.db2.gz WKNQSMBXJOANLH-BRWVUGGUSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883435287 636755670 /nfs/dbraw/zinc/75/56/70/636755670.db2.gz OEVOGGQTTSOFFJ-BGTYHANMSA-N 2 1 288.435 3.108 20 0 CGADMP CC(C)(C)C1CCC(C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000135294570 637109390 /nfs/dbraw/zinc/10/93/90/637109390.db2.gz KFLGYLWLMXFXPX-SHARSMKWSA-N 2 1 252.446 3.120 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOC2CCCCC2)CC1 ZINC000885983634 637342966 /nfs/dbraw/zinc/34/29/66/637342966.db2.gz LAUBLOAZJFRAMG-UHFFFAOYSA-N 2 1 296.499 3.388 20 0 CGADMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081245 637402591 /nfs/dbraw/zinc/40/25/91/637402591.db2.gz KPANOXNRHUVVPQ-ZAWLATJESA-N 2 1 288.479 3.371 20 0 CGADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081245 637402595 /nfs/dbraw/zinc/40/25/95/637402595.db2.gz KPANOXNRHUVVPQ-ZAWLATJESA-N 2 1 288.479 3.371 20 0 CGADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886081245 637402603 /nfs/dbraw/zinc/40/26/03/637402603.db2.gz KPANOXNRHUVVPQ-ZAWLATJESA-N 2 1 288.479 3.371 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886121004 637423300 /nfs/dbraw/zinc/42/33/00/637423300.db2.gz SKXUNJWJOLTPAI-ARFHVFGLSA-N 2 1 270.461 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886121004 637423307 /nfs/dbraw/zinc/42/33/07/637423307.db2.gz SKXUNJWJOLTPAI-ARFHVFGLSA-N 2 1 270.461 3.044 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000886167002 637445608 /nfs/dbraw/zinc/44/56/08/637445608.db2.gz XYHPKEGVOOKUIU-KZNAEPCWSA-N 2 1 294.483 3.046 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000852753933 637706682 /nfs/dbraw/zinc/70/66/82/637706682.db2.gz WFXAGKMGHJGXOO-KRWDZBQOSA-N 2 1 260.425 3.385 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852758984 637708052 /nfs/dbraw/zinc/70/80/52/637708052.db2.gz IHGLDMNODSYLSO-SJORKVTESA-N 2 1 282.472 3.177 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2cccc(C)c21 ZINC000924955026 638430899 /nfs/dbraw/zinc/43/08/99/638430899.db2.gz ZJDPXYKVKZVPQN-SUMWQHHRSA-N 2 1 283.419 3.413 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924959904 638432406 /nfs/dbraw/zinc/43/24/06/638432406.db2.gz MRKMGGCOSRMSGB-MWDXBVQZSA-N 2 1 262.441 3.051 20 0 CGADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010884 638437375 /nfs/dbraw/zinc/43/73/75/638437375.db2.gz ONRIVMZFPIQOKC-LSDHHAIUSA-N 2 1 299.418 3.334 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(-c2ccccc2)no1 ZINC000925010884 638437377 /nfs/dbraw/zinc/43/73/77/638437377.db2.gz ONRIVMZFPIQOKC-LSDHHAIUSA-N 2 1 299.418 3.334 20 0 CGADMP Clc1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000857087289 638456233 /nfs/dbraw/zinc/45/62/33/638456233.db2.gz RVOVHRDBRSMOTB-RYUDHWBXSA-N 2 1 299.871 3.008 20 0 CGADMP Clc1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000857087289 638456238 /nfs/dbraw/zinc/45/62/38/638456238.db2.gz RVOVHRDBRSMOTB-RYUDHWBXSA-N 2 1 299.871 3.008 20 0 CGADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925514893 638516964 /nfs/dbraw/zinc/51/69/64/638516964.db2.gz GUIRFRAZVCBRIB-RCBQFDQVSA-N 2 1 274.408 3.006 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c(F)c1 ZINC000925522092 638517458 /nfs/dbraw/zinc/51/74/58/638517458.db2.gz QYHCDHUCYHTBNJ-DOTOQJQBSA-N 2 1 294.389 3.223 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(F)c1 ZINC000925522093 638517829 /nfs/dbraw/zinc/51/78/29/638517829.db2.gz QYHCDHUCYHTBNJ-NVXWUHKLSA-N 2 1 294.389 3.223 20 0 CGADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925609869 638544986 /nfs/dbraw/zinc/54/49/86/638544986.db2.gz WUCGVVFIBPDQBJ-QWQRMKEZSA-N 2 1 284.403 3.001 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccccc1 ZINC000925617187 638546543 /nfs/dbraw/zinc/54/65/43/638546543.db2.gz BLJFSCHANGNDQW-OBHGLWADSA-N 2 1 292.426 3.250 20 0 CGADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000925630128 638549290 /nfs/dbraw/zinc/54/92/90/638549290.db2.gz RKGUCTGDUGWZMV-DZOHQFGASA-N 2 1 290.451 3.258 20 0 CGADMP C[C@H]([NH3+])[C@H](NCCC[C@H]1CCCCO1)c1ccccc1 ZINC000925638446 638553080 /nfs/dbraw/zinc/55/30/80/638553080.db2.gz BWTFGLVWWAAGKG-UAGQMJEPSA-N 2 1 276.424 3.014 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccccc1 ZINC000925638446 638553085 /nfs/dbraw/zinc/55/30/85/638553085.db2.gz BWTFGLVWWAAGKG-UAGQMJEPSA-N 2 1 276.424 3.014 20 0 CGADMP CSCCCCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925643963 638554938 /nfs/dbraw/zinc/55/49/38/638554938.db2.gz MGNJPEDQXXZPPZ-HIFRSBDPSA-N 2 1 266.454 3.198 20 0 CGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000925657896 638559737 /nfs/dbraw/zinc/55/97/37/638559737.db2.gz UVPOATAJUDAZSH-OUCADQQQSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]([NH3+])[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000925666889 638563752 /nfs/dbraw/zinc/56/37/52/638563752.db2.gz PAHNIAXHCLLCPQ-DXWTWGPWSA-N 2 1 290.451 3.258 20 0 CGADMP c1c2ccccc2sc1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925675395 638566160 /nfs/dbraw/zinc/56/61/60/638566160.db2.gz FFADZPPFUXSHBN-ORAAPJFESA-N 2 1 298.455 3.030 20 0 CGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925704005 638572309 /nfs/dbraw/zinc/57/23/09/638572309.db2.gz FRTGTHQYURHRDR-RHSMWYFYSA-N 2 1 262.441 3.363 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccccc1 ZINC000925725924 638583562 /nfs/dbraw/zinc/58/35/62/638583562.db2.gz ODHYLRKTJWWURZ-GMBSWORKSA-N 2 1 295.430 3.264 20 0 CGADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1Cl ZINC000925741434 638593060 /nfs/dbraw/zinc/59/30/60/638593060.db2.gz QTRPINCLLXSURQ-SECBINFHSA-N 2 1 258.768 3.257 20 0 CGADMP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000925837118 638627282 /nfs/dbraw/zinc/62/72/82/638627282.db2.gz OAHSKTSRMCPEIF-GVDBMIGSSA-N 2 1 287.451 3.099 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1(C)C ZINC000858162174 638646644 /nfs/dbraw/zinc/64/66/44/638646644.db2.gz RBHOSNHGXPEUJC-JKSUJKDBSA-N 2 1 292.854 3.270 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)CC1(C)C ZINC000858183373 638650932 /nfs/dbraw/zinc/65/09/32/638650932.db2.gz CYXCAEIVWKPDIS-NEPJUHHUSA-N 2 1 293.282 3.423 20 0 CGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858490317 638741243 /nfs/dbraw/zinc/74/12/43/638741243.db2.gz GEIAUFOBKFIYIB-YJBOKZPZSA-N 2 1 272.436 3.304 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(O)cc(F)c1 ZINC000926557584 638784912 /nfs/dbraw/zinc/78/49/12/638784912.db2.gz CSTZOEDGBOFPMR-GFCCVEGCSA-N 2 1 280.387 3.056 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)[C@@H](C)C1 ZINC000927038921 638834692 /nfs/dbraw/zinc/83/46/92/638834692.db2.gz SCPZIDBYAAEYTI-ZNMIVQPWSA-N 2 1 282.497 3.125 20 0 CGADMP Cc1cc(C)nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930060208 638971559 /nfs/dbraw/zinc/97/15/59/638971559.db2.gz HAEWHYBNSBJSRL-LPHOPBHVSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000930060208 638971560 /nfs/dbraw/zinc/97/15/60/638971560.db2.gz HAEWHYBNSBJSRL-LPHOPBHVSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000930060208 638971563 /nfs/dbraw/zinc/97/15/63/638971563.db2.gz HAEWHYBNSBJSRL-LPHOPBHVSA-N 2 1 299.462 3.147 20 0 CGADMP Cc1cc(C)nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000930060208 638971566 /nfs/dbraw/zinc/97/15/66/638971566.db2.gz HAEWHYBNSBJSRL-LPHOPBHVSA-N 2 1 299.462 3.147 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000930602319 639035144 /nfs/dbraw/zinc/03/51/44/639035144.db2.gz PVNSEUSYWYUMTH-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000930602319 639035151 /nfs/dbraw/zinc/03/51/51/639035151.db2.gz PVNSEUSYWYUMTH-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[C@H](C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931311536 639132614 /nfs/dbraw/zinc/13/26/14/639132614.db2.gz RHUUJRJDSNMQBJ-NJAFHUGGSA-N 2 1 272.436 3.064 20 0 CGADMP CCc1cccc(C[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931352943 639139603 /nfs/dbraw/zinc/13/96/03/639139603.db2.gz WZEJFLBBRXCZAV-UHFFFAOYSA-N 2 1 260.425 3.165 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)COCC1CCCCC1 ZINC000932420851 639328523 /nfs/dbraw/zinc/32/85/23/639328523.db2.gz IPTUOYUMCQLPLG-OAHLLOKOSA-N 2 1 293.455 3.157 20 0 CGADMP CCC[C@@](C)([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000934179272 639552558 /nfs/dbraw/zinc/55/25/58/639552558.db2.gz BSNILRMBSXLIRT-QGZVFWFLSA-N 2 1 271.408 3.268 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000076004574 640166591 /nfs/dbraw/zinc/16/65/91/640166591.db2.gz DXVYZZDBWVUACK-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000076004574 640166596 /nfs/dbraw/zinc/16/65/96/640166596.db2.gz DXVYZZDBWVUACK-QGZVFWFLSA-N 2 1 290.451 3.038 20 0 CGADMP C[C@@H](C[NH+](C)C)Nc1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001155920150 805625718 /nfs/dbraw/zinc/62/57/18/805625718.db2.gz AHTSLPITAVIHLC-AWEZNQCLSA-N 2 1 298.434 3.197 20 0 CGADMP CCCc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)nc(C)[nH+]1 ZINC001156928821 805755956 /nfs/dbraw/zinc/75/59/56/805755956.db2.gz OOJIQBSYJLKFCB-AWEZNQCLSA-N 2 1 290.455 3.414 20 0 CGADMP CCCc1cc(NCCC[N@H+]2CCCC[C@@H]2C)nc(C)[nH+]1 ZINC001156928821 805755959 /nfs/dbraw/zinc/75/59/59/805755959.db2.gz OOJIQBSYJLKFCB-AWEZNQCLSA-N 2 1 290.455 3.414 20 0 CGADMP CC(C)Oc1cc[nH+]c(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001157797725 805873032 /nfs/dbraw/zinc/87/30/32/805873032.db2.gz XBWZZRKRVKEKJW-GJZGRUSLSA-N 2 1 277.412 3.154 20 0 CGADMP Cc1cccc2c1cc[nH+]c2NCC12CC[NH+](CC1)CC2 ZINC001158826689 806009798 /nfs/dbraw/zinc/00/97/98/806009798.db2.gz HUKHFIOASLARHQ-UHFFFAOYSA-N 2 1 281.403 3.441 20 0 CGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1cc(C)cc(C)c1 ZINC001253212931 806183175 /nfs/dbraw/zinc/18/31/75/806183175.db2.gz JFXNDRHFUXOSOU-ROUUACIJSA-N 2 1 292.467 3.047 20 0 CGADMP [NH3+]C1(CC2CCC2)CCN(c2cc(C3CC3)cc[nH+]2)CC1 ZINC001161571362 806394673 /nfs/dbraw/zinc/39/46/73/806394673.db2.gz IULHOAZAQUJIOI-UHFFFAOYSA-N 2 1 285.435 3.447 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2c(F)cccc2Cl)CC1 ZINC001254498298 806419646 /nfs/dbraw/zinc/41/96/46/806419646.db2.gz UTVHFMFNNCCOMT-LBPRGKRZSA-N 2 1 284.806 3.096 20 0 CGADMP Cc1c(C)n([C@H]2CCC[N@H+](C)CC2)c2ccc(C[NH3+])cc12 ZINC001254499552 806420949 /nfs/dbraw/zinc/42/09/49/806420949.db2.gz IVBDWYIKOMCEBL-INIZCTEOSA-N 2 1 285.435 3.374 20 0 CGADMP C[N@H+]1CCC[C@@H](n2c(C[NH3+])cc3cc(Cl)ccc32)CC1 ZINC001254500270 806421338 /nfs/dbraw/zinc/42/13/38/806421338.db2.gz SZCXWKBVGWMYDH-CQSZACIVSA-N 2 1 291.826 3.410 20 0 CGADMP Cc1cc(F)cc(C)c1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254501767 806423567 /nfs/dbraw/zinc/42/35/67/806423567.db2.gz XKPUIDZITRQDAX-HNNXBMFYSA-N 2 1 264.388 3.016 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2coc3ccccc23)CC1 ZINC001254506008 806425522 /nfs/dbraw/zinc/42/55/22/806425522.db2.gz NLEBZJDJYJXXFF-HNNXBMFYSA-N 2 1 272.392 3.049 20 0 CGADMP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC001254507238 806426931 /nfs/dbraw/zinc/42/69/31/806426931.db2.gz KLWBGIHFQIZMNN-HOTGVXAUSA-N 2 1 264.388 3.351 20 0 CGADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC1 ZINC001254507162 806428005 /nfs/dbraw/zinc/42/80/05/806428005.db2.gz IEZXOMQGFSSNTC-WMLDXEAASA-N 2 1 276.399 3.351 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC1 ZINC001254507162 806428007 /nfs/dbraw/zinc/42/80/07/806428007.db2.gz IEZXOMQGFSSNTC-WMLDXEAASA-N 2 1 276.399 3.351 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254510000 806430026 /nfs/dbraw/zinc/43/00/26/806430026.db2.gz LAPWZYKKMSRIGN-SJORKVTESA-N 2 1 276.399 3.351 20 0 CGADMP Cc1cccc(C2([NH2+][C@H]3CCC[N@H+](C)CC3)CCC2)c1 ZINC001254512898 806432262 /nfs/dbraw/zinc/43/22/62/806432262.db2.gz UBZGMQCGGLPSRQ-KRWDZBQOSA-N 2 1 272.436 3.448 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001254513534 806434277 /nfs/dbraw/zinc/43/42/77/806434277.db2.gz DAHCDZAUJJTGDZ-SUMWQHHRSA-N 2 1 294.389 3.416 20 0 CGADMP C[C@@H]([NH3+])c1cn([C@H]2CCC[N@@H+](C)CC2)c2ccccc12 ZINC001254515551 806435972 /nfs/dbraw/zinc/43/59/72/806435972.db2.gz YGEFBLSOAFTXBN-KGLIPLIRSA-N 2 1 271.408 3.318 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](C)CC1 ZINC001254515836 806436043 /nfs/dbraw/zinc/43/60/43/806436043.db2.gz DWGHRTBHKUBPJI-KRWDZBQOSA-N 2 1 260.425 3.381 20 0 CGADMP CC(C)[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254515836 806436049 /nfs/dbraw/zinc/43/60/49/806436049.db2.gz DWGHRTBHKUBPJI-KRWDZBQOSA-N 2 1 260.425 3.381 20 0 CGADMP CC(C)[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515836 806436054 /nfs/dbraw/zinc/43/60/54/806436054.db2.gz DWGHRTBHKUBPJI-KRWDZBQOSA-N 2 1 260.425 3.381 20 0 CGADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517321 806436315 /nfs/dbraw/zinc/43/63/15/806436315.db2.gz ULIRWUOZQAJVTD-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517321 806436318 /nfs/dbraw/zinc/43/63/18/806436318.db2.gz ULIRWUOZQAJVTD-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517321 806436322 /nfs/dbraw/zinc/43/63/22/806436322.db2.gz ULIRWUOZQAJVTD-DLBZAZTESA-N 2 1 276.399 3.447 20 0 CGADMP COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254525659 806440032 /nfs/dbraw/zinc/44/00/32/806440032.db2.gz KKEZSKAXRXLJCQ-LSDHHAIUSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525659 806440038 /nfs/dbraw/zinc/44/00/38/806440038.db2.gz KKEZSKAXRXLJCQ-LSDHHAIUSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccccc1[C@H](C)[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525659 806440042 /nfs/dbraw/zinc/44/00/42/806440042.db2.gz KKEZSKAXRXLJCQ-LSDHHAIUSA-N 2 1 276.424 3.172 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254530415 806442811 /nfs/dbraw/zinc/44/28/11/806442811.db2.gz XROWGHYOZRPFDG-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254530415 806442816 /nfs/dbraw/zinc/44/28/16/806442816.db2.gz XROWGHYOZRPFDG-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP CC[C@H]1c2ccccc2CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254530415 806442819 /nfs/dbraw/zinc/44/28/19/806442819.db2.gz XROWGHYOZRPFDG-WMZOPIPTSA-N 2 1 272.436 3.480 20 0 CGADMP c1ccc2c(c1)CC([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001255026774 806528948 /nfs/dbraw/zinc/52/89/48/806528948.db2.gz CHSRKXYZXTXSCX-LJQANCHMSA-N 2 1 298.474 3.494 20 0 CGADMP FC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255123145 806548328 /nfs/dbraw/zinc/54/83/28/806548328.db2.gz YSUYKGHMQCSIAN-GWDNYDDXSA-N 2 1 288.410 3.272 20 0 CGADMP C[C@@H]1CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255135944 806552117 /nfs/dbraw/zinc/55/21/17/806552117.db2.gz GKGJOSUMMFZBKE-NRSFXHEJSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135944 806552121 /nfs/dbraw/zinc/55/21/21/806552121.db2.gz GKGJOSUMMFZBKE-NRSFXHEJSA-N 2 1 270.420 3.276 20 0 CGADMP C[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135944 806552125 /nfs/dbraw/zinc/55/21/25/806552125.db2.gz GKGJOSUMMFZBKE-NRSFXHEJSA-N 2 1 270.420 3.276 20 0 CGADMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255289152 806593581 /nfs/dbraw/zinc/59/35/81/806593581.db2.gz FSDJHAHRAWAUKO-QGZVFWFLSA-N 2 1 290.476 3.088 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255289152 806593589 /nfs/dbraw/zinc/59/35/89/806593589.db2.gz FSDJHAHRAWAUKO-QGZVFWFLSA-N 2 1 290.476 3.088 20 0 CGADMP C[C@H]1CCCC[C@@H]1CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001162524765 806610246 /nfs/dbraw/zinc/61/02/46/806610246.db2.gz HWSBSXMSHWKTAE-UONOGXRCSA-N 2 1 298.434 3.259 20 0 CGADMP FC1CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255377028 806628342 /nfs/dbraw/zinc/62/83/42/806628342.db2.gz DPZFSUXXYPRDHC-CGZBRXJRSA-N 2 1 276.399 3.131 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3cccnc3)CC2)cc1 ZINC001255380039 806628495 /nfs/dbraw/zinc/62/84/95/806628495.db2.gz ZLVKSWNGBIAOHT-LJQANCHMSA-N 2 1 295.430 3.226 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3cccnc3)CC2)cc1 ZINC001255380039 806628501 /nfs/dbraw/zinc/62/85/01/806628501.db2.gz ZLVKSWNGBIAOHT-LJQANCHMSA-N 2 1 295.430 3.226 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC001255522826 806662393 /nfs/dbraw/zinc/66/23/93/806662393.db2.gz WZRLVVRZUAWWJS-UHFFFAOYSA-N 2 1 280.378 3.381 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC001255533233 806665961 /nfs/dbraw/zinc/66/59/61/806665961.db2.gz XQBKZVCSIZWMGV-RDJZCZTQSA-N 2 1 290.451 3.041 20 0 CGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001255576018 806676916 /nfs/dbraw/zinc/67/69/16/806676916.db2.gz QFKGMNIAGNKBNI-INIZCTEOSA-N 2 1 290.451 3.008 20 0 CGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001255576018 806676920 /nfs/dbraw/zinc/67/69/20/806676920.db2.gz QFKGMNIAGNKBNI-INIZCTEOSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)CC(F)(F)F ZINC001255638420 806687632 /nfs/dbraw/zinc/68/76/32/806687632.db2.gz AECLESIVRDMGDT-OLZOCXBDSA-N 2 1 288.357 3.424 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000037643777 798871775 /nfs/dbraw/zinc/87/17/75/798871775.db2.gz IUEUYZNHEXQNPS-MRXNPFEDSA-N 2 1 260.425 3.043 20 0 CGADMP CC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC001163305540 806738765 /nfs/dbraw/zinc/73/87/65/806738765.db2.gz LMYXXNIZPSVXPQ-NSHDSACASA-N 2 1 287.329 3.021 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000382205907 799394069 /nfs/dbraw/zinc/39/40/69/799394069.db2.gz HIXYYOCLTYXECT-UHFFFAOYSA-N 2 1 263.429 3.386 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]ccc3c2ccn3C)[C@H](C)C1 ZINC001163361321 806746096 /nfs/dbraw/zinc/74/60/96/806746096.db2.gz IFSOAISTPBUSNV-UKRRQHHQSA-N 2 1 286.423 3.104 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c2ccccc12 ZINC000388463161 799453962 /nfs/dbraw/zinc/45/39/62/799453962.db2.gz HNNXOWZAARMRTN-LSDHHAIUSA-N 2 1 298.430 3.408 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC000389686082 799464873 /nfs/dbraw/zinc/46/48/73/799464873.db2.gz ZTRPZOFUDPYIDC-MQVJKMGUSA-N 2 1 250.430 3.301 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC000389686082 799464879 /nfs/dbraw/zinc/46/48/79/799464879.db2.gz ZTRPZOFUDPYIDC-MQVJKMGUSA-N 2 1 250.430 3.301 20 0 CGADMP C[C@H]1C[C@@H](NC(=[NH2+])C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000397960975 799524519 /nfs/dbraw/zinc/52/45/19/799524519.db2.gz FAGFYVWROBOAIB-DZGCQCFKSA-N 2 1 273.424 3.262 20 0 CGADMP C[C@H]1C[C@@H](NC(=[NH2+])C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000397960975 799524522 /nfs/dbraw/zinc/52/45/22/799524522.db2.gz FAGFYVWROBOAIB-DZGCQCFKSA-N 2 1 273.424 3.262 20 0 CGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(F)(F)F ZINC000402750921 799563845 /nfs/dbraw/zinc/56/38/45/799563845.db2.gz VQXXFOFHOPOLIF-ODWCKFRGSA-N 2 1 278.362 3.180 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403514018 799567367 /nfs/dbraw/zinc/56/73/67/799567367.db2.gz AKLYCNBNPZKHRE-HNSVSWJLSA-N 2 1 282.497 3.267 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cc2ccccc2o1 ZINC000405236386 799582787 /nfs/dbraw/zinc/58/27/87/799582787.db2.gz DVZJCESYDMYIGS-KNXALSJPSA-N 2 1 270.376 3.353 20 0 CGADMP CC[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000687961030 799741780 /nfs/dbraw/zinc/74/17/80/799741780.db2.gz GCQKJOGCAJSJMI-GFCCVEGCSA-N 2 1 264.438 3.016 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000690753081 799778888 /nfs/dbraw/zinc/77/88/88/799778888.db2.gz CDAHGYOHBZIXGN-CQSZACIVSA-N 2 1 254.377 3.011 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)c1cc2ccccc2o1 ZINC000697904170 799849569 /nfs/dbraw/zinc/84/95/69/799849569.db2.gz NBVJBLQNUKDAPZ-QWHCGFSZSA-N 2 1 260.381 3.424 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000699298927 799859263 /nfs/dbraw/zinc/85/92/63/799859263.db2.gz DYORGERSHKGYGQ-VDBQLOCMSA-N 2 1 262.441 3.029 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000700827425 799882045 /nfs/dbraw/zinc/88/20/45/799882045.db2.gz WFDXMXAVEPDDRC-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000702643799 799911635 /nfs/dbraw/zinc/91/16/35/799911635.db2.gz CFWMPJFLTALLDK-JLVJUDLZSA-N 2 1 252.446 3.403 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000702643799 799911640 /nfs/dbraw/zinc/91/16/40/799911640.db2.gz CFWMPJFLTALLDK-JLVJUDLZSA-N 2 1 252.446 3.403 20 0 CGADMP CCC[N@@H+](CC1(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000702839426 799914421 /nfs/dbraw/zinc/91/44/21/799914421.db2.gz JXLAGRUDAPCPJF-UHFFFAOYSA-N 2 1 272.436 3.182 20 0 CGADMP FC1(F)CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000702814773 799914792 /nfs/dbraw/zinc/91/47/92/799914792.db2.gz RQKVPKRWLJNVBS-UHFFFAOYSA-N 2 1 286.391 3.015 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ccccn1)C(C)C ZINC001255947925 806794363 /nfs/dbraw/zinc/79/43/63/806794363.db2.gz YZEKUJJFWZJHOT-RDJZCZTQSA-N 2 1 277.456 3.489 20 0 CGADMP CC1(C)C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000708815888 799995586 /nfs/dbraw/zinc/99/55/86/799995586.db2.gz RYNVYNJUQNEELS-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)C[C@H](C)[NH2+]1 ZINC000708851600 799997613 /nfs/dbraw/zinc/99/76/13/799997613.db2.gz VMHMTPNFGJLNPA-YALNPMBYSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1nc2ccccc2s1 ZINC000710835328 800039793 /nfs/dbraw/zinc/03/97/93/800039793.db2.gz VLJSQIGPVREWCX-UHFFFAOYSA-N 2 1 277.437 3.247 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000713026422 800103265 /nfs/dbraw/zinc/10/32/65/800103265.db2.gz LJFYYHGFXUYMIM-UKRRQHHQSA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000713026425 800103391 /nfs/dbraw/zinc/10/33/91/800103391.db2.gz LJFYYHGFXUYMIM-ZFWWWQNUSA-N 2 1 250.430 3.053 20 0 CGADMP Clc1ncsc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000713500894 800112342 /nfs/dbraw/zinc/11/23/42/800112342.db2.gz KZTHBEGTZSSCKB-LBPRGKRZSA-N 2 1 299.871 3.008 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715489563 800136092 /nfs/dbraw/zinc/13/60/92/800136092.db2.gz DDFMIXWTSQQENH-HUUCEWRRSA-N 2 1 296.842 3.311 20 0 CGADMP c1ccc(C[C@@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256076114 806813772 /nfs/dbraw/zinc/81/37/72/806813772.db2.gz BMQNCGICGFYMEQ-KRWDZBQOSA-N 2 1 284.447 3.178 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256076114 806813780 /nfs/dbraw/zinc/81/37/80/806813780.db2.gz BMQNCGICGFYMEQ-KRWDZBQOSA-N 2 1 284.447 3.178 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000717566193 800204989 /nfs/dbraw/zinc/20/49/89/800204989.db2.gz XLZGZQYTFQMUGY-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000717566193 800204993 /nfs/dbraw/zinc/20/49/93/800204993.db2.gz XLZGZQYTFQMUGY-QPSCCSFWSA-N 2 1 252.446 3.274 20 0 CGADMP c1coc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)n1 ZINC001256074110 806813438 /nfs/dbraw/zinc/81/34/38/806813438.db2.gz LHCJBTZWZPKVEV-UHFFFAOYSA-N 2 1 297.402 3.058 20 0 CGADMP C[N@H+](CCc1cccc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC001256080517 806814254 /nfs/dbraw/zinc/81/42/54/806814254.db2.gz YGKZBXINTGERGH-UHFFFAOYSA-N 2 1 292.854 3.441 20 0 CGADMP C[N@@H+](CCc1cccc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC001256080517 806814261 /nfs/dbraw/zinc/81/42/61/806814261.db2.gz YGKZBXINTGERGH-UHFFFAOYSA-N 2 1 292.854 3.441 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256080565 806815288 /nfs/dbraw/zinc/81/52/88/806815288.db2.gz YQHFVLCOQVWNMX-HNNXBMFYSA-N 2 1 288.410 3.242 20 0 CGADMP Fc1cccc([C@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256080565 806815295 /nfs/dbraw/zinc/81/52/95/806815295.db2.gz YQHFVLCOQVWNMX-HNNXBMFYSA-N 2 1 288.410 3.242 20 0 CGADMP Cc1c(C[NH2+]C2CC[NH+](C)CC2)cccc1C(F)(F)F ZINC001256196464 806846947 /nfs/dbraw/zinc/84/69/47/806846947.db2.gz MUURSSYZEGFNKL-UHFFFAOYSA-N 2 1 286.341 3.198 20 0 CGADMP C[NH+]1CCC([NH2+]C2(CC3CC3)CCC(F)(F)CC2)CC1 ZINC001256199188 806848002 /nfs/dbraw/zinc/84/80/02/806848002.db2.gz LAKRNCHBLBDWDF-UHFFFAOYSA-N 2 1 286.410 3.418 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C1CCN(C)CC1 ZINC001256205218 806849655 /nfs/dbraw/zinc/84/96/55/806849655.db2.gz XNKSLHAWMKCZCQ-KRWDZBQOSA-N 2 1 258.409 3.226 20 0 CGADMP C[NH+]1CCC([NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC001256207589 806850387 /nfs/dbraw/zinc/85/03/87/806850387.db2.gz OABWKFJUCADKSA-UHFFFAOYSA-N 2 1 290.426 3.174 20 0 CGADMP C[NH+]1CCC([NH2+]CCCCC2CCCCC2)CC1 ZINC001256201882 806850405 /nfs/dbraw/zinc/85/04/05/806850405.db2.gz RVUYEOLPXFARQP-UHFFFAOYSA-N 2 1 252.446 3.421 20 0 CGADMP CCc1ccc(NCc2cccc(C[NH+](C)C)c2)[nH+]c1 ZINC001163994364 806870531 /nfs/dbraw/zinc/87/05/31/806870531.db2.gz HQIJDUJAZIGDBT-UHFFFAOYSA-N 2 1 269.392 3.318 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521962 806909760 /nfs/dbraw/zinc/90/97/60/806909760.db2.gz GKTMTZUBYMOAKI-FZCLSBEQSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521962 806909763 /nfs/dbraw/zinc/90/97/63/806909763.db2.gz GKTMTZUBYMOAKI-FZCLSBEQSA-N 2 1 272.436 3.285 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256543646 806913086 /nfs/dbraw/zinc/91/30/86/806913086.db2.gz UOOUNXIWQIHAHG-PBHICJAKSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256543646 806913087 /nfs/dbraw/zinc/91/30/87/806913087.db2.gz UOOUNXIWQIHAHG-PBHICJAKSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256543646 806913091 /nfs/dbraw/zinc/91/30/91/806913091.db2.gz UOOUNXIWQIHAHG-PBHICJAKSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256543646 806913097 /nfs/dbraw/zinc/91/30/97/806913097.db2.gz UOOUNXIWQIHAHG-PBHICJAKSA-N 2 1 258.409 3.134 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541399 806913515 /nfs/dbraw/zinc/91/35/15/806913515.db2.gz LLCVJAHPCAGXLJ-CRAIPNDOSA-N 2 1 290.426 3.473 20 0 CGADMP C[C@@H]1C[C@H]([NH+]2CCC(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541399 806913519 /nfs/dbraw/zinc/91/35/19/806913519.db2.gz LLCVJAHPCAGXLJ-CRAIPNDOSA-N 2 1 290.426 3.473 20 0 CGADMP C[NH+](C)C1(CNc2ccccc2C2CC2)CC[NH+](C)CC1 ZINC001164217310 806917101 /nfs/dbraw/zinc/91/71/01/806917101.db2.gz UWIDHDCGFCXRFC-UHFFFAOYSA-N 2 1 287.451 3.002 20 0 CGADMP COCC[C@@H]1CCCC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256571730 806919152 /nfs/dbraw/zinc/91/91/52/806919152.db2.gz JTDBKUINZLQZGP-HNNXBMFYSA-N 2 1 282.472 3.140 20 0 CGADMP C[N@H+](CCOc1ccccc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256571449 806919320 /nfs/dbraw/zinc/91/93/20/806919320.db2.gz HFHQJNOFXITYBG-UHFFFAOYSA-N 2 1 290.451 3.260 20 0 CGADMP C[N@@H+](CCOc1ccccc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256571449 806919325 /nfs/dbraw/zinc/91/93/25/806919325.db2.gz HFHQJNOFXITYBG-UHFFFAOYSA-N 2 1 290.451 3.260 20 0 CGADMP Cc1cccc2c(CC[NH3+])cn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c21 ZINC001256614184 806925822 /nfs/dbraw/zinc/92/58/22/806925822.db2.gz FVLQOIMPCCRRRE-SJPCQFCGSA-N 2 1 297.446 3.249 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)nc1 ZINC001256621677 806928530 /nfs/dbraw/zinc/92/85/30/806928530.db2.gz ZEDKIPWBNGPLDO-MMNRESRNSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)nc1 ZINC001256621677 806928533 /nfs/dbraw/zinc/92/85/33/806928533.db2.gz ZEDKIPWBNGPLDO-MMNRESRNSA-N 2 1 285.435 3.056 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575806 807208500 /nfs/dbraw/zinc/20/85/00/807208500.db2.gz IDVSDBHWOLIHFI-GJZGRUSLSA-N 2 1 254.462 3.332 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575806 807208505 /nfs/dbraw/zinc/20/85/05/807208505.db2.gz IDVSDBHWOLIHFI-GJZGRUSLSA-N 2 1 254.462 3.332 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](CF)C1 ZINC001167824337 807256473 /nfs/dbraw/zinc/25/64/73/807256473.db2.gz DMSVJKVZCMEXBI-LSDHHAIUSA-N 2 1 258.425 3.178 20 0 CGADMP CC[NH+]1CCC(N(C)c2[nH+]ccc3cc(OC)ccc32)CC1 ZINC001165067695 806967774 /nfs/dbraw/zinc/96/77/74/806967774.db2.gz HQPRTBIQVPRLTK-UHFFFAOYSA-N 2 1 299.418 3.164 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC001116291236 802325208 /nfs/dbraw/zinc/32/52/08/802325208.db2.gz LPKKXHGQTNWEQI-LSDHHAIUSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)[C@H]1C ZINC001116521175 802369490 /nfs/dbraw/zinc/36/94/90/802369490.db2.gz IGDQTPXWMHHCDO-CWVYHPPDSA-N 2 1 252.446 3.274 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC001119623565 802686141 /nfs/dbraw/zinc/68/61/41/802686141.db2.gz IZPASPIKNQLSMS-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC001119623565 802686143 /nfs/dbraw/zinc/68/61/43/802686143.db2.gz IZPASPIKNQLSMS-CRAIPNDOSA-N 2 1 287.451 3.244 20 0 CGADMP C[C@H](CSc1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001120057424 802730864 /nfs/dbraw/zinc/73/08/64/802730864.db2.gz FNAAXMAYCAHJQO-OAHLLOKOSA-N 2 1 292.492 3.441 20 0 CGADMP CCc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Cl ZINC001206810586 813443128 /nfs/dbraw/zinc/44/31/28/813443128.db2.gz ORTPLNXYFJLCQJ-OCCSQVGLSA-N 2 1 280.843 3.462 20 0 CGADMP CCc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Cl ZINC001206810586 813443130 /nfs/dbraw/zinc/44/31/30/813443130.db2.gz ORTPLNXYFJLCQJ-OCCSQVGLSA-N 2 1 280.843 3.462 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3c2cccc3F)CC1 ZINC001137057912 803676854 /nfs/dbraw/zinc/67/68/54/803676854.db2.gz WGWUBTCLLYFHKU-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3c2cccc3F)CC1 ZINC001137057912 803676855 /nfs/dbraw/zinc/67/68/55/803676855.db2.gz WGWUBTCLLYFHKU-UHFFFAOYSA-N 2 1 289.398 3.223 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2F ZINC001137060610 803677761 /nfs/dbraw/zinc/67/77/61/803677761.db2.gz XKXUHJLLDSTOJT-UHFFFAOYSA-N 2 1 291.414 3.471 20 0 CGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC001137654410 803751916 /nfs/dbraw/zinc/75/19/16/803751916.db2.gz PUISRVSKLWPPAV-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)cc1 ZINC001138544689 803963668 /nfs/dbraw/zinc/96/36/68/803963668.db2.gz MUTKYQWMSAGTJA-DOMZBBRYSA-N 2 1 273.355 3.113 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)cc1 ZINC001138544689 803963671 /nfs/dbraw/zinc/96/36/71/803963671.db2.gz MUTKYQWMSAGTJA-DOMZBBRYSA-N 2 1 273.355 3.113 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246078234 804116090 /nfs/dbraw/zinc/11/60/90/804116090.db2.gz CBFCBOYXSAEEKJ-ORQFMDKSSA-N 2 1 258.409 3.053 20 0 CGADMP C[C@]1([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]C1 ZINC001246096210 804128499 /nfs/dbraw/zinc/12/84/99/804128499.db2.gz IUNQKGYCHOEIHT-WFASDCNBSA-N 2 1 299.245 3.192 20 0 CGADMP CC1(C)CCC([NH2+]C[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246112643 804142486 /nfs/dbraw/zinc/14/24/86/804142486.db2.gz LVEPCNPNNBLAJB-HNNXBMFYSA-N 2 1 256.409 3.027 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246114892 804146122 /nfs/dbraw/zinc/14/61/22/804146122.db2.gz QHCRBOFUWVNMQV-IRXDYDNUSA-N 2 1 278.415 3.079 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246119071 804151206 /nfs/dbraw/zinc/15/12/06/804151206.db2.gz AWNVFEPWPPCSNH-BBWFWOEESA-N 2 1 258.409 3.054 20 0 CGADMP Cc1cccc2[nH]cc(C[N@@H+](C)C3CC[NH+](C)CC3)c21 ZINC001139190118 804153303 /nfs/dbraw/zinc/15/33/03/804153303.db2.gz DRJIXYVQGDQDCI-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+](C)C3CC[NH+](C)CC3)c21 ZINC001139190118 804153310 /nfs/dbraw/zinc/15/33/10/804153310.db2.gz DRJIXYVQGDQDCI-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@H](N[C@H]1CCC[NH2+]C1)C2 ZINC001246130144 804155571 /nfs/dbraw/zinc/15/55/71/804155571.db2.gz SNUBBRWCHSMABS-STQMWFEESA-N 2 1 299.245 3.192 20 0 CGADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246130144 804155575 /nfs/dbraw/zinc/15/55/75/804155575.db2.gz SNUBBRWCHSMABS-STQMWFEESA-N 2 1 299.245 3.192 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246136273 804161037 /nfs/dbraw/zinc/16/10/37/804161037.db2.gz WCOSLZZGQSEJJW-IRXDYDNUSA-N 2 1 272.436 3.130 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246137812 804161721 /nfs/dbraw/zinc/16/17/21/804161721.db2.gz XRBIPDZUAMECCH-KNXALSJPSA-N 2 1 296.817 3.284 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246161987 804178793 /nfs/dbraw/zinc/17/87/93/804178793.db2.gz UXSBRZFOUWZCAW-WCXIOVBPSA-N 2 1 282.472 3.092 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)CC(C)(C)C1 ZINC001246162501 804179055 /nfs/dbraw/zinc/17/90/55/804179055.db2.gz ZFEJYLBIPXMPEY-YFHUEUNASA-N 2 1 294.483 3.092 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)C[NH2+]1 ZINC001246163274 804181029 /nfs/dbraw/zinc/18/10/29/804181029.db2.gz LOBOKNKCGVPNJG-BEFAXECRSA-N 2 1 280.415 3.236 20 0 CGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]C2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246173592 804187826 /nfs/dbraw/zinc/18/78/26/804187826.db2.gz BGYGWUFHFCGLIB-HZPDHXFCSA-N 2 1 272.436 3.432 20 0 CGADMP CCC(CC)([NH2+][C@@H]1CC[C@H](C)NC1)c1ccccc1 ZINC001246185641 804196732 /nfs/dbraw/zinc/19/67/32/804196732.db2.gz WHYDZSOFYTZTRG-GOEBONIOSA-N 2 1 260.425 3.432 20 0 CGADMP CCC(CC)([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC001246185641 804196735 /nfs/dbraw/zinc/19/67/35/804196735.db2.gz WHYDZSOFYTZTRG-GOEBONIOSA-N 2 1 260.425 3.432 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186755 804198643 /nfs/dbraw/zinc/19/86/43/804198643.db2.gz HKMOWFNCIPDJAY-DGCLKSJQSA-N 2 1 284.856 3.162 20 0 CGADMP C[C@H]1CC([NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)C[C@H](C)C1 ZINC001246221043 804215324 /nfs/dbraw/zinc/21/53/24/804215324.db2.gz NHNKYQCNLFMXHX-YRGRVCCFSA-N 2 1 274.399 3.036 20 0 CGADMP CCCC(CCC)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246221904 804216059 /nfs/dbraw/zinc/21/60/59/804216059.db2.gz PGDVYRJXWSUEIM-ZDUSSCGKSA-N 2 1 262.388 3.180 20 0 CGADMP CC1(C)C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246235545 804227952 /nfs/dbraw/zinc/22/79/52/804227952.db2.gz HXSOCMCFRRFKFA-CQSZACIVSA-N 2 1 278.827 3.449 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)C[NH2+]1 ZINC001246239327 804231458 /nfs/dbraw/zinc/23/14/58/804231458.db2.gz IZZUHSQEPBDQEG-TUVASFSCSA-N 2 1 252.446 3.321 20 0 CGADMP Fc1ccccc1[C@H]([NH2+]C1CC[NH2+]CC1)C1CCC1 ZINC001246279930 804254788 /nfs/dbraw/zinc/25/47/88/804254788.db2.gz NBRUCQQTZDZBGM-MRXNPFEDSA-N 2 1 262.372 3.009 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CCC2(C)C)cc1 ZINC001246325448 804282175 /nfs/dbraw/zinc/28/21/75/804282175.db2.gz KLNVXTJUJWOPPA-WMLDXEAASA-N 2 1 274.452 3.158 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246329425 804284902 /nfs/dbraw/zinc/28/49/02/804284902.db2.gz PWPGTQUQYLDVNR-MXASKKJJSA-N 2 1 258.409 3.053 20 0 CGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001246331934 804287234 /nfs/dbraw/zinc/28/72/34/804287234.db2.gz OXRIGCHFZNCFOK-CZUORRHYSA-N 2 1 292.854 3.175 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)C[NH2+]1 ZINC001246336997 804291126 /nfs/dbraw/zinc/29/11/26/804291126.db2.gz RVQDOZJBWQBJKH-WJWMFLMHSA-N 2 1 276.468 3.466 20 0 CGADMP CCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246341252 804293370 /nfs/dbraw/zinc/29/33/70/804293370.db2.gz OCRBKVAYJWBAMF-AVGNSLFASA-N 2 1 280.378 3.475 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246341853 804294742 /nfs/dbraw/zinc/29/47/42/804294742.db2.gz COHSPZLDBZUAOA-WMLDXEAASA-N 2 1 260.425 3.083 20 0 CGADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2F)CC[NH2+]1 ZINC001246352440 804299349 /nfs/dbraw/zinc/29/93/49/804299349.db2.gz OPMPVWDIXMIFDK-GJZGRUSLSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC001246385132 804315468 /nfs/dbraw/zinc/31/54/68/804315468.db2.gz RQOPUYUSISZICH-JSGCOSHPSA-N 2 1 278.827 3.003 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C[NH2+]1 ZINC001246384540 804316450 /nfs/dbraw/zinc/31/64/50/804316450.db2.gz PQJLPKPQTDOIQG-BBRMVZONSA-N 2 1 292.854 3.393 20 0 CGADMP C[NH2+]CC[C@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1F ZINC001246396745 804322254 /nfs/dbraw/zinc/32/22/54/804322254.db2.gz QYLNBQKJQSBTPA-LRDDRELGSA-N 2 1 264.388 3.255 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246407665 804324133 /nfs/dbraw/zinc/32/41/33/804324133.db2.gz SIDGFCDXETVBLA-GXTWGEPZSA-N 2 1 286.410 3.465 20 0 CGADMP CC[C@]1([NH2+][C@H](C)Cc2ccc(Cl)cc2)CC[NH2+]C1 ZINC001246456469 804338734 /nfs/dbraw/zinc/33/87/34/804338734.db2.gz AYMDFMCDOJLDGB-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP CC[C@]1([NH2+][C@H](C)Cc2cccc(Cl)c2)CC[NH2+]C1 ZINC001246458610 804339333 /nfs/dbraw/zinc/33/93/33/804339333.db2.gz HINLOVAEMWINAB-DOMZBBRYSA-N 2 1 266.816 3.003 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1 ZINC001246460733 804341154 /nfs/dbraw/zinc/34/11/54/804341154.db2.gz HXQLMBWLSMNJIL-VCTAVGKDSA-N 2 1 268.351 3.146 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1 ZINC001246460734 804343059 /nfs/dbraw/zinc/34/30/59/804343059.db2.gz HXQLMBWLSMNJIL-WKPIXPDZSA-N 2 1 268.351 3.146 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(C)cc(C)c1 ZINC001246473679 804351245 /nfs/dbraw/zinc/35/12/45/804351245.db2.gz JBOHDYHTLWZMNI-SJORKVTESA-N 2 1 260.425 3.486 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)C[NH2+]1 ZINC001246488695 804356662 /nfs/dbraw/zinc/35/66/62/804356662.db2.gz IZZUHSQEPBDQEG-BYNSBNAKSA-N 2 1 252.446 3.321 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246495696 804360867 /nfs/dbraw/zinc/36/08/67/804360867.db2.gz ASYBGQWSYZWYKI-RSAASHCRSA-N 2 1 280.362 3.072 20 0 CGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246500519 804361911 /nfs/dbraw/zinc/36/19/11/804361911.db2.gz WXPXEMUAMYALBW-UBDQQSCGSA-N 2 1 272.436 3.300 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246498974 804361948 /nfs/dbraw/zinc/36/19/48/804361948.db2.gz VSCQLCDSVVSMCL-GVDBMIGSSA-N 3 1 295.515 3.137 20 0 CGADMP C1[C@@H]2[C@H]1C[NH2+]C[C@H]2[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246504044 804364425 /nfs/dbraw/zinc/36/44/25/804364425.db2.gz PDVZZSYXSSJAMS-QKPAOTATSA-N 2 1 262.441 3.077 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246507468 804365242 /nfs/dbraw/zinc/36/52/42/804365242.db2.gz BQMBHNLMLQXLSQ-IWCQGFGOSA-N 2 1 258.409 3.053 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001246505431 804365393 /nfs/dbraw/zinc/36/53/93/804365393.db2.gz WDQMHQTVFHSBAA-PQUAAJSLSA-N 2 1 290.451 3.340 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246509515 804367949 /nfs/dbraw/zinc/36/79/49/804367949.db2.gz DZOMRGCHNNOGGC-IAGOWNOFSA-N 3 1 295.515 3.151 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CCc2ccccc2)CC[NH2+]1 ZINC001246518943 804372196 /nfs/dbraw/zinc/37/21/96/804372196.db2.gz JCLUPAUOTSPDFX-ROUUACIJSA-N 2 1 274.452 3.472 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C[C@H]1C ZINC001246522139 804375412 /nfs/dbraw/zinc/37/54/12/804375412.db2.gz IOKCADCYAFGZCM-OAGGEKHMSA-N 2 1 264.457 3.277 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246521151 804376258 /nfs/dbraw/zinc/37/62/58/804376258.db2.gz WRABIGQTPCEQFA-HUUCEWRRSA-N 2 1 250.430 3.173 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001246535810 804385405 /nfs/dbraw/zinc/38/54/05/804385405.db2.gz LRXCUOLMYYANDX-ZDUSSCGKSA-N 2 1 278.827 3.427 20 0 CGADMP Clc1ccc(C2=CC[N@@H+](C3CC[NH2+]CC3)CC2)cc1 ZINC001246536878 804386639 /nfs/dbraw/zinc/38/66/39/804386639.db2.gz TYVFBMUJIIBKSY-UHFFFAOYSA-N 2 1 276.811 3.181 20 0 CGADMP Clc1ccc(C2=CC[N@H+](C3CC[NH2+]CC3)CC2)cc1 ZINC001246536878 804386645 /nfs/dbraw/zinc/38/66/45/804386645.db2.gz TYVFBMUJIIBKSY-UHFFFAOYSA-N 2 1 276.811 3.181 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246538335 804388169 /nfs/dbraw/zinc/38/81/69/804388169.db2.gz BOBHYYGEAUQOFU-DYVFJYSZSA-N 2 1 292.854 3.129 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542060 804391803 /nfs/dbraw/zinc/39/18/03/804391803.db2.gz IWDNGBHTSXMLQG-MISXGVKJSA-N 2 1 286.341 3.058 20 0 CGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542060 804391812 /nfs/dbraw/zinc/39/18/12/804391812.db2.gz IWDNGBHTSXMLQG-MISXGVKJSA-N 2 1 286.341 3.058 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246546265 804395363 /nfs/dbraw/zinc/39/53/63/804395363.db2.gz JLGCBADISLDFQA-MXASKKJJSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246548997 804399099 /nfs/dbraw/zinc/39/90/99/804399099.db2.gz ORVJIOMUZHXWDO-UKRRQHHQSA-N 2 1 258.409 3.136 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001246549948 804400068 /nfs/dbraw/zinc/40/00/68/804400068.db2.gz NSPNPVOBSUDKSB-WMZOPIPTSA-N 2 1 292.442 3.469 20 0 CGADMP FC1(F)CCCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246550184 804400621 /nfs/dbraw/zinc/40/06/21/804400621.db2.gz UVWMMQYEFRIVIB-UHFFFAOYSA-N 2 1 286.410 3.420 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246549934 804401260 /nfs/dbraw/zinc/40/12/60/804401260.db2.gz MKVWBNLMABDUDA-PVAVHDDUSA-N 2 1 258.409 3.354 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246553468 804402914 /nfs/dbraw/zinc/40/29/14/804402914.db2.gz YDGUNDHNBSGCPN-BBRMVZONSA-N 2 1 298.833 3.424 20 0 CGADMP c1ccc([C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)cc1 ZINC001246556128 804405971 /nfs/dbraw/zinc/40/59/71/804405971.db2.gz IBPAAGWRQHCRCJ-LMDPOFIKSA-N 2 1 284.447 3.398 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246557256 804406290 /nfs/dbraw/zinc/40/62/90/804406290.db2.gz KGYKALKREVJMDX-BHIYHBOVSA-N 2 1 286.463 3.472 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556211 804406911 /nfs/dbraw/zinc/40/69/11/804406911.db2.gz DVRPUFYKHFNYKT-IRXDYDNUSA-N 2 1 284.488 3.301 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246559295 804408399 /nfs/dbraw/zinc/40/83/99/804408399.db2.gz PBBDFQDPMXHBSB-RYQLBKOJSA-N 2 1 274.452 3.315 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC(C(F)(F)F)CC2)CC[C@@H]1C[NH3+] ZINC001246561480 804409839 /nfs/dbraw/zinc/40/98/39/804409839.db2.gz TWGNKDJBOIAALO-IWMBGFJWSA-N 2 1 292.389 3.414 20 0 CGADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001246563457 804411154 /nfs/dbraw/zinc/41/11/54/804411154.db2.gz XBCKEUNUDIYFLK-BQFCYCMXSA-N 2 1 274.452 3.233 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246562110 804412531 /nfs/dbraw/zinc/41/25/31/804412531.db2.gz VUQKPPWLPHOPMD-IIAWOOMASA-N 2 1 278.415 3.064 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246562113 804412637 /nfs/dbraw/zinc/41/26/37/804412637.db2.gz VUQKPPWLPHOPMD-IJEWVQPXSA-N 2 1 278.415 3.064 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CC1 ZINC001246564297 804414043 /nfs/dbraw/zinc/41/40/43/804414043.db2.gz MKOVSKCGEOIKMR-JWMHWRSXSA-N 2 1 252.446 3.405 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246569127 804416824 /nfs/dbraw/zinc/41/68/24/804416824.db2.gz QGXKCIFKEBNHQJ-YCPHGPKFSA-N 2 1 278.415 3.064 20 0 CGADMP CC[C@@H]1CC([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246571234 804419510 /nfs/dbraw/zinc/41/95/10/804419510.db2.gz LLOSPHXQNUHDQD-QKPAOTATSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@]1(F)CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246576801 804422740 /nfs/dbraw/zinc/42/27/40/804422740.db2.gz PTPMDLYTLVDZRT-PCKAHOCUSA-N 2 1 268.420 3.123 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246576384 804422801 /nfs/dbraw/zinc/42/28/01/804422801.db2.gz JYCWZAKZOKLBQF-SJORKVTESA-N 2 1 278.415 3.161 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246576384 804422806 /nfs/dbraw/zinc/42/28/06/804422806.db2.gz JYCWZAKZOKLBQF-SJORKVTESA-N 2 1 278.415 3.161 20 0 CGADMP C[C@]1(F)CCCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246579063 804424659 /nfs/dbraw/zinc/42/46/59/804424659.db2.gz XQYCLRDKWSTLNO-PCKAHOCUSA-N 2 1 268.420 3.123 20 0 CGADMP CC1(C)CCC[C@@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246585218 804427480 /nfs/dbraw/zinc/42/74/80/804427480.db2.gz ZJBMABFUTBOFOX-HIFRSBDPSA-N 2 1 256.409 3.108 20 0 CGADMP CC1(C)CCC[C@@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246585218 804427484 /nfs/dbraw/zinc/42/74/84/804427484.db2.gz ZJBMABFUTBOFOX-HIFRSBDPSA-N 2 1 256.409 3.108 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246600401 804438630 /nfs/dbraw/zinc/43/86/30/804438630.db2.gz FUNYXLQMJMTUIW-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP C1CCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001246600953 804438889 /nfs/dbraw/zinc/43/88/89/804438889.db2.gz FHNFGDVZTOSBKF-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]23CCC[NH2+]C3)CC(C)(C)C1 ZINC001246602088 804440079 /nfs/dbraw/zinc/44/00/79/804440079.db2.gz IYOAKHDLFZFADL-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1-c1nccs1 ZINC001140449515 804440075 /nfs/dbraw/zinc/44/00/75/804440075.db2.gz QNQGSGVPXHAJCH-UHFFFAOYSA-N 2 1 289.448 3.194 20 0 CGADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C1 ZINC001246603643 804440560 /nfs/dbraw/zinc/44/05/60/804440560.db2.gz FKAZDYOQWJLIGQ-OWCLPIDISA-N 2 1 250.430 3.173 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CC2 ZINC001246604753 804441613 /nfs/dbraw/zinc/44/16/13/804441613.db2.gz IOJYZWRTXSJPAL-VQTJNVASSA-N 2 1 298.474 3.460 20 0 CGADMP CSCC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246609361 804443491 /nfs/dbraw/zinc/44/34/91/804443491.db2.gz MRJCSXJIRNWLOM-HZPDHXFCSA-N 2 1 284.513 3.374 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001246607531 804443716 /nfs/dbraw/zinc/44/37/16/804443716.db2.gz TUZJTDAMOVOVQD-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001246607531 804443719 /nfs/dbraw/zinc/44/37/19/804443719.db2.gz TUZJTDAMOVOVQD-WMZOPIPTSA-N 2 1 272.436 3.144 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246611850 804446599 /nfs/dbraw/zinc/44/65/99/804446599.db2.gz CXSQJSPUCNLKHA-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246611850 804446604 /nfs/dbraw/zinc/44/66/04/804446604.db2.gz CXSQJSPUCNLKHA-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246612952 804446766 /nfs/dbraw/zinc/44/67/66/804446766.db2.gz JIWRURSTLGQISI-IRXDYDNUSA-N 2 1 296.499 3.149 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246614909 804448582 /nfs/dbraw/zinc/44/85/82/804448582.db2.gz VQRJLRBOVAGPOW-MRXNPFEDSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246615614 804449893 /nfs/dbraw/zinc/44/98/93/804449893.db2.gz CVWVRWLBOJCEEB-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246615614 804449896 /nfs/dbraw/zinc/44/98/96/804449896.db2.gz CVWVRWLBOJCEEB-ULQDDVLXSA-N 2 1 282.472 3.046 20 0 CGADMP C1CC2(C1)C[C@H]([N@H+]1CCCC3(CCCC3)C1)CC[NH2+]2 ZINC001246617749 804451987 /nfs/dbraw/zinc/45/19/87/804451987.db2.gz YWWCSFLYIXWIAH-OAHLLOKOSA-N 2 1 262.441 3.317 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246621061 804453854 /nfs/dbraw/zinc/45/38/54/804453854.db2.gz CYFCPJQZFFMDSC-GJZGRUSLSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246618596 804454028 /nfs/dbraw/zinc/45/40/28/804454028.db2.gz HUAIDVPPMAVLSU-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246626759 804457432 /nfs/dbraw/zinc/45/74/32/804457432.db2.gz YKSQMSASJCIQMZ-QFBILLFUSA-N 2 1 286.463 3.398 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246626759 804457433 /nfs/dbraw/zinc/45/74/33/804457433.db2.gz YKSQMSASJCIQMZ-QFBILLFUSA-N 2 1 286.463 3.398 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246630927 804460278 /nfs/dbraw/zinc/46/02/78/804460278.db2.gz MCVBDOWOGGMLPJ-KZNAEPCWSA-N 2 1 296.499 3.436 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@]3(C1)CCCC[NH2+]3)CC2 ZINC001246629073 804460889 /nfs/dbraw/zinc/46/08/89/804460889.db2.gz ZLMHBVSCQCBGDW-OALUTQOASA-N 2 1 284.447 3.070 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@]3(C1)CCCC[NH2+]3)CC2 ZINC001246629073 804460892 /nfs/dbraw/zinc/46/08/92/804460892.db2.gz ZLMHBVSCQCBGDW-OALUTQOASA-N 2 1 284.447 3.070 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632572 804462898 /nfs/dbraw/zinc/46/28/98/804462898.db2.gz XKIXJLDHCUKWCY-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001246634075 804463983 /nfs/dbraw/zinc/46/39/83/804463983.db2.gz ZOUVJFJOPNIUIB-WUCCLRPBSA-N 2 1 250.430 3.028 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634347 804464369 /nfs/dbraw/zinc/46/43/69/804464369.db2.gz BVUOZYOAXYSCNV-OKZBNKHCSA-N 2 1 296.499 3.149 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246634678 804464431 /nfs/dbraw/zinc/46/44/31/804464431.db2.gz AOZUEHCJBNRLAL-WNRNVDISSA-N 2 1 270.420 3.149 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)C[C@@H]1C ZINC001246634820 804465830 /nfs/dbraw/zinc/46/58/30/804465830.db2.gz AXRPOINIUVSKIH-CBBWQLFWSA-N 2 1 286.410 3.132 20 0 CGADMP CCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246639338 804467624 /nfs/dbraw/zinc/46/76/24/804467624.db2.gz PTKBLAIFYOAWGV-KBPBESRZSA-N 2 1 274.399 3.276 20 0 CGADMP CCCC[C@H](CCC)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246642422 804468892 /nfs/dbraw/zinc/46/88/92/804468892.db2.gz WNVRLBHAZBOSMB-DLBZAZTESA-N 2 1 282.472 3.047 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246642666 804469991 /nfs/dbraw/zinc/46/99/91/804469991.db2.gz IVOSQKIXXFVZDA-MRXNPFEDSA-N 2 1 282.472 3.190 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246644371 804472217 /nfs/dbraw/zinc/47/22/17/804472217.db2.gz HCJGIXJTSUVSNC-ADKAHSJRSA-N 2 1 272.436 3.211 20 0 CGADMP [NH3+]CC12CC(C1)C[N@H+]2[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246644355 804472621 /nfs/dbraw/zinc/47/26/21/804472621.db2.gz GTDXPGSLFUIEOP-FFDQMNFHSA-N 2 1 270.420 3.136 20 0 CGADMP CCCC1CCC([N@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC001246649349 804477303 /nfs/dbraw/zinc/47/73/03/804477303.db2.gz OZIQFXOTTPMLIN-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)CC[C@@H]([N@H+]2CCCC[C@]23CCC[NH2+]C3)C1 ZINC001246652454 804478999 /nfs/dbraw/zinc/47/89/99/804478999.db2.gz PELOPWLPTOUKGK-GDBMZVCRSA-N 2 1 250.430 3.173 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246654170 804480176 /nfs/dbraw/zinc/48/01/76/804480176.db2.gz VHMKBPJEDFERLZ-XLAORIBOSA-N 2 1 270.420 3.007 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656166 804481048 /nfs/dbraw/zinc/48/10/48/804481048.db2.gz MPOQDXQVBHMSSM-RQJABVFESA-N 2 1 292.389 3.285 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC1 ZINC001246658625 804482765 /nfs/dbraw/zinc/48/27/65/804482765.db2.gz CSUMPINWZDGZIY-VXSNREPFSA-N 2 1 250.430 3.014 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001246663463 804485548 /nfs/dbraw/zinc/48/55/48/804485548.db2.gz VCMBTSBYVRPQSI-YQQAZPJKSA-N 2 1 290.476 3.159 20 0 CGADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246676963 804491806 /nfs/dbraw/zinc/49/18/06/804491806.db2.gz FNQONRPRWFALCP-NCOADZHNSA-N 2 1 264.457 3.277 20 0 CGADMP C1C[NH2+]C[C@@H]([C@H]2CCC[N@H+](C3CCCCCC3)C2)C1 ZINC001246678489 804492661 /nfs/dbraw/zinc/49/26/61/804492661.db2.gz OFPOPUVBQCHYQV-HOTGVXAUSA-N 2 1 264.457 3.421 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246680998 804494541 /nfs/dbraw/zinc/49/45/41/804494541.db2.gz YZQFRURMCDFPSJ-KKUMJFAQSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246681504 804494586 /nfs/dbraw/zinc/49/45/86/804494586.db2.gz OYDFPXIBFMOMQB-WBVHZDCISA-N 2 1 258.409 3.274 20 0 CGADMP C[N@@H+](Cc1ccccc1Cl)C1CCC2(C[NH2+]C2)CC1 ZINC001246769057 804502232 /nfs/dbraw/zinc/50/22/32/804502232.db2.gz HRMNTGWAGKGOAB-UHFFFAOYSA-N 2 1 278.827 3.304 20 0 CGADMP CCCC[N@@H+](CCC)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246773387 804504546 /nfs/dbraw/zinc/50/45/46/804504546.db2.gz CAUJOPVGZGNXDB-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC001246775945 804505834 /nfs/dbraw/zinc/50/58/34/804505834.db2.gz LIOQJRHBIHANGP-CABCVRRESA-N 2 1 278.465 3.146 20 0 CGADMP c1ccc(C[C@H]2CCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246779373 804506603 /nfs/dbraw/zinc/50/66/03/804506603.db2.gz ZWWNNUDYXVQUKQ-MSOLQXFVSA-N 2 1 284.447 3.083 20 0 CGADMP CC[C@H]1CC([N@@H+](C)CCOc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246779402 804506977 /nfs/dbraw/zinc/50/69/77/804506977.db2.gz GAUQIAMULMJFNI-HOTGVXAUSA-N 2 1 290.451 3.306 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246779659 804507878 /nfs/dbraw/zinc/50/78/78/804507878.db2.gz IIBUXCQPVHAWRU-ROUUACIJSA-N 2 1 274.452 3.315 20 0 CGADMP C[N@@H+](CCOc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246780380 804508793 /nfs/dbraw/zinc/50/87/93/804508793.db2.gz MASDULSKIVYFRR-DOTOQJQBSA-N 2 1 290.451 3.164 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784343 804509916 /nfs/dbraw/zinc/50/99/16/804509916.db2.gz FZLYRLPATCJEMA-ZQIUZPCESA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2F)CC[NH2+]1 ZINC001246784343 804509922 /nfs/dbraw/zinc/50/99/22/804509922.db2.gz FZLYRLPATCJEMA-ZQIUZPCESA-N 2 1 276.399 3.493 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246783426 804510530 /nfs/dbraw/zinc/51/05/30/804510530.db2.gz XBIOWBHGEGHSCU-NEPJUHHUSA-N 2 1 284.806 3.081 20 0 CGADMP CCC[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246787469 804512190 /nfs/dbraw/zinc/51/21/90/804512190.db2.gz CXOWJKZRAPHMPJ-HUUCEWRRSA-N 2 1 250.430 3.316 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789021 804513050 /nfs/dbraw/zinc/51/30/50/804513050.db2.gz ANUAAKXLZWEFJS-GOSISDBHSA-N 2 1 286.463 3.473 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](CC2CC2)C(C)C)C[C@H](CC)[NH2+]1 ZINC001246788651 804513419 /nfs/dbraw/zinc/51/34/19/804513419.db2.gz HQGLGZPXVRACQQ-ZSHCYNCHSA-N 2 1 252.446 3.416 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246791496 804515578 /nfs/dbraw/zinc/51/55/78/804515578.db2.gz JWWQRMSYILSYDN-OKYOBFRVSA-N 2 1 284.447 3.224 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC001140786590 804515708 /nfs/dbraw/zinc/51/57/08/804515708.db2.gz GKRALFRCLOVOQQ-UHFFFAOYSA-N 2 1 284.403 3.351 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC001246803437 804523423 /nfs/dbraw/zinc/52/34/23/804523423.db2.gz KEOOEUHTPBFNIV-BXUZGUMPSA-N 2 1 286.341 3.278 20 0 CGADMP COc1ccc(CC[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140807020 804523559 /nfs/dbraw/zinc/52/35/59/804523559.db2.gz ILKCPFIAZJJXLM-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP COc1ccc(CC[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140807020 804523563 /nfs/dbraw/zinc/52/35/63/804523563.db2.gz ILKCPFIAZJJXLM-UHFFFAOYSA-N 2 1 295.386 3.246 20 0 CGADMP CC[C@@H]1CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246804147 804524111 /nfs/dbraw/zinc/52/41/11/804524111.db2.gz MEDOSOKSZVJNJR-CQSZACIVSA-N 2 1 250.430 3.173 20 0 CGADMP CC1(C)OCCC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140805580 804524568 /nfs/dbraw/zinc/52/45/68/804524568.db2.gz JLYLIOSBXIMKEO-UHFFFAOYSA-N 2 1 299.418 3.344 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)(C)OC)C[C@H](CC)[NH2+]1 ZINC001246811743 804528775 /nfs/dbraw/zinc/52/87/75/804528775.db2.gz WCODAHIXYVUUGF-FZKCQIBNSA-N 2 1 282.472 3.185 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)(C)OC)CC[NH2+]1 ZINC001246812385 804528982 /nfs/dbraw/zinc/52/89/82/804528982.db2.gz ZPBOSSPJAZQOFT-OWCLPIDISA-N 2 1 282.472 3.187 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246813934 804529708 /nfs/dbraw/zinc/52/97/08/804529708.db2.gz MTCUPWDHZBKFAX-RTBURBONSA-N 2 1 286.463 3.392 20 0 CGADMP CCC[C@H](CCc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246814111 804529883 /nfs/dbraw/zinc/52/98/83/804529883.db2.gz NMSUZWIYBUORHB-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(Cl)cc2)C[C@H](C)[NH2+]1 ZINC001246814869 804531609 /nfs/dbraw/zinc/53/16/09/804531609.db2.gz SUOILIQJRRYLQN-YWVIFJGQSA-N 2 1 280.843 3.343 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCCc3ccccc3C2)CC[NH2+]1 ZINC001246815451 804531658 /nfs/dbraw/zinc/53/16/58/804531658.db2.gz CVTLFUZEWJMFQK-MSOLQXFVSA-N 2 1 272.436 3.211 20 0 CGADMP C[C@H]1CC([N@@H+](C)CCc2ccc(Cl)cc2)C[C@H](C)[NH2+]1 ZINC001246814866 804532460 /nfs/dbraw/zinc/53/24/60/804532460.db2.gz SUOILIQJRRYLQN-STQMWFEESA-N 2 1 280.843 3.343 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2CC3CCC2CC3)C[C@H](CC)[NH2+]1 ZINC001246819466 804533190 /nfs/dbraw/zinc/53/31/90/804533190.db2.gz GLCSGMKWHIGPDL-OQVSOFDRSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC3CCC2CC3)C[C@H](CC)[NH2+]1 ZINC001246819466 804533192 /nfs/dbraw/zinc/53/31/92/804533192.db2.gz GLCSGMKWHIGPDL-OQVSOFDRSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246839408 804547587 /nfs/dbraw/zinc/54/75/87/804547587.db2.gz AXLSTGYBVRCGGI-ZOWXZIJZSA-N 2 1 266.816 3.473 20 0 CGADMP CCC(CC)[N@@H+](CC)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246839962 804548891 /nfs/dbraw/zinc/54/88/91/804548891.db2.gz MFBDMCZBUSDMCN-HZPDHXFCSA-N 2 1 252.446 3.419 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246843397 804552077 /nfs/dbraw/zinc/55/20/77/804552077.db2.gz WALPZKQSMSITMD-HUSMAVQQSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@H]1CC[NH3+] ZINC001246848445 804557696 /nfs/dbraw/zinc/55/76/96/804557696.db2.gz VMCOYLTZOSSTBB-FZMZJTMJSA-N 2 1 284.806 3.223 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246851080 804560019 /nfs/dbraw/zinc/56/00/19/804560019.db2.gz YKTVOSUQFYDRNC-BXUZGUMPSA-N 2 1 296.867 3.180 20 0 CGADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]1 ZINC001246851537 804562279 /nfs/dbraw/zinc/56/22/79/804562279.db2.gz KTSSUJWETJBRDL-BJJXKVORSA-N 2 1 278.827 3.270 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246864312 804567727 /nfs/dbraw/zinc/56/77/27/804567727.db2.gz OCWJRVKYNPJXQG-XBMUEBEBSA-N 2 1 286.463 3.329 20 0 CGADMP CC1(C)C[C@H]([N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC001246868579 804571584 /nfs/dbraw/zinc/57/15/84/804571584.db2.gz ALPXPJLBYUDOJO-OAHLLOKOSA-N 2 1 272.436 3.310 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001246868860 804571646 /nfs/dbraw/zinc/57/16/46/804571646.db2.gz BYBXBIWXLNQLOX-UHFFFAOYSA-N 2 1 278.827 3.229 20 0 CGADMP CCCC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880786 804576089 /nfs/dbraw/zinc/57/60/89/804576089.db2.gz SHSRUHOPFINHAN-NXHRZFHOSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246887206 804580982 /nfs/dbraw/zinc/58/09/82/804580982.db2.gz KEHYYVMXNPYYIC-ILXRZTDVSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CSc2ccccc2C1 ZINC001246894589 804584467 /nfs/dbraw/zinc/58/44/67/804584467.db2.gz OBAWTXHPQUNLNX-MRXNPFEDSA-N 2 1 290.476 3.167 20 0 CGADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246903431 804589625 /nfs/dbraw/zinc/58/96/25/804589625.db2.gz XISCLVHJLQQAET-KSSFIOAISA-N 2 1 295.430 3.447 20 0 CGADMP CC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)CC[NH2+]1 ZINC001246906233 804591264 /nfs/dbraw/zinc/59/12/64/804591264.db2.gz DEDYTDZHXJUOFG-DLBZAZTESA-N 2 1 260.425 3.266 20 0 CGADMP Clc1ccc(C2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246919854 804600826 /nfs/dbraw/zinc/60/08/26/804600826.db2.gz NYYDVVZHQCDJMZ-CPBWPMLKSA-N 2 1 290.838 3.270 20 0 CGADMP Clc1ccc(C2CCC([N@H+]3C[C@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246919854 804600828 /nfs/dbraw/zinc/60/08/28/804600828.db2.gz NYYDVVZHQCDJMZ-CPBWPMLKSA-N 2 1 290.838 3.270 20 0 CGADMP C[C@@H](Cc1ccco1)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246919871 804601234 /nfs/dbraw/zinc/60/12/34/804601234.db2.gz HQMDQBFXOMDKPY-FUHWJXTLSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@@H](Cc1ccco1)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246919871 804601237 /nfs/dbraw/zinc/60/12/37/804601237.db2.gz HQMDQBFXOMDKPY-FUHWJXTLSA-N 2 1 298.430 3.465 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922670 804602577 /nfs/dbraw/zinc/60/25/77/804602577.db2.gz WITRDEKEUSNPLG-GYTBAZASSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922670 804602579 /nfs/dbraw/zinc/60/25/79/804602579.db2.gz WITRDEKEUSNPLG-GYTBAZASSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246934348 804607527 /nfs/dbraw/zinc/60/75/27/804607527.db2.gz CHMYBWQUOZQKES-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC001246932328 804607713 /nfs/dbraw/zinc/60/77/13/804607713.db2.gz ZWICABBBNYUFRW-USXIJHARSA-N 2 1 288.435 3.015 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246935822 804608830 /nfs/dbraw/zinc/60/88/30/804608830.db2.gz BJABXHSRNGJFNJ-BRWVUGGUSA-N 2 1 258.409 3.007 20 0 CGADMP CC[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246938307 804610595 /nfs/dbraw/zinc/61/05/95/804610595.db2.gz LXSRINKTYKMMLS-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246951542 804615464 /nfs/dbraw/zinc/61/54/64/804615464.db2.gz UMEVLYBVWDGVEN-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001246964238 804619522 /nfs/dbraw/zinc/61/95/22/804619522.db2.gz BXKXUSOBZOWSIJ-ZBFHGGJFSA-N 2 1 278.465 3.146 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001246972419 804622458 /nfs/dbraw/zinc/62/24/58/804622458.db2.gz FAAWQOMWMUEYMW-UKRRQHHQSA-N 2 1 292.854 3.129 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCCCCC1 ZINC001246978236 804626219 /nfs/dbraw/zinc/62/62/19/804626219.db2.gz VNNWXSZJKPQPQE-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1cccc(F)c1 ZINC001246979630 804627712 /nfs/dbraw/zinc/62/77/12/804627712.db2.gz ZZQSVMLLBHJICI-HOCLYGCPSA-N 2 1 278.415 3.078 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246986066 804628518 /nfs/dbraw/zinc/62/85/18/804628518.db2.gz JOHVUIZLUIAOKS-SJLPKXTDSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001246986066 804628523 /nfs/dbraw/zinc/62/85/23/804628523.db2.gz JOHVUIZLUIAOKS-SJLPKXTDSA-N 2 1 295.515 3.103 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984550 804629185 /nfs/dbraw/zinc/62/91/85/804629185.db2.gz IYQNVQUHSSMMDA-SJORKVTESA-N 2 1 297.531 3.207 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246984550 804629187 /nfs/dbraw/zinc/62/91/87/804629187.db2.gz IYQNVQUHSSMMDA-SJORKVTESA-N 2 1 297.531 3.207 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246989801 804630414 /nfs/dbraw/zinc/63/04/14/804630414.db2.gz HOJSWRCMMORRCM-SUMWQHHRSA-N 2 1 292.854 3.129 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001247001369 804634115 /nfs/dbraw/zinc/63/41/15/804634115.db2.gz JPQZRLHMPCOUBI-ABHNRTSZSA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001247002674 804635691 /nfs/dbraw/zinc/63/56/91/804635691.db2.gz NYOUAEUOZYLLEY-YOEHRIQHSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001247002813 804636245 /nfs/dbraw/zinc/63/62/45/804636245.db2.gz LKZUPYRNLDMMJY-VQHPVUNQSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247004489 804636278 /nfs/dbraw/zinc/63/62/78/804636278.db2.gz RTBMLYXRARQAGA-SJORKVTESA-N 2 1 260.425 3.069 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2c(C)cc(OC)cc2C)CC1 ZINC001142948989 804790044 /nfs/dbraw/zinc/79/00/44/804790044.db2.gz GYFDQTDZJMIVPJ-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2c(C)cc(OC)cc2C)CC1 ZINC001142948989 804790048 /nfs/dbraw/zinc/79/00/48/804790048.db2.gz GYFDQTDZJMIVPJ-UHFFFAOYSA-N 2 1 290.451 3.228 20 0 CGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001143257445 804829922 /nfs/dbraw/zinc/82/99/22/804829922.db2.gz UQXAYJGHZSOTSK-HUUCEWRRSA-N 2 1 280.362 3.008 20 0 CGADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144721568 805040381 /nfs/dbraw/zinc/04/03/81/805040381.db2.gz TTZNOHRTIFGKTH-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144721568 805040390 /nfs/dbraw/zinc/04/03/90/805040390.db2.gz TTZNOHRTIFGKTH-UHFFFAOYSA-N 2 1 271.408 3.084 20 0 CGADMP C[C@@H]1CC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C[C@@H](C)O1 ZINC001257083158 807046983 /nfs/dbraw/zinc/04/69/83/807046983.db2.gz GDUYARAPNJIEQA-INMHGKMJSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1CC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C[C@@H](C)O1 ZINC001257083158 807046992 /nfs/dbraw/zinc/04/69/92/807046992.db2.gz GDUYARAPNJIEQA-INMHGKMJSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1CC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001257085341 807048232 /nfs/dbraw/zinc/04/82/32/807048232.db2.gz MDFNFBBWMWEJJT-KCYZZUKISA-N 2 1 294.483 3.457 20 0 CGADMP Cc1cc(Nc2cccc(C[NH+]3CCCC3)c2)c[nH+]c1N ZINC001249788005 805248661 /nfs/dbraw/zinc/24/86/61/805248661.db2.gz XKWJTXYJOXWZBU-UHFFFAOYSA-N 2 1 282.391 3.312 20 0 CGADMP Cc1cccc2cc[nH+]c(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c12 ZINC001165436688 807002603 /nfs/dbraw/zinc/00/26/03/807002603.db2.gz UGWXRANXRRLQBM-HUUCEWRRSA-N 2 1 299.393 3.056 20 0 CGADMP CC1(C)C[C@H](C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CCO1 ZINC001256904512 807003882 /nfs/dbraw/zinc/00/38/82/807003882.db2.gz IGQQGEIJRUEHEJ-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP CC1(C)C[C@H](C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CCO1 ZINC001256904512 807003886 /nfs/dbraw/zinc/00/38/86/807003886.db2.gz IGQQGEIJRUEHEJ-CVEARBPZSA-N 2 1 294.483 3.188 20 0 CGADMP C(CC1CCC1)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256903117 807003980 /nfs/dbraw/zinc/00/39/80/807003980.db2.gz XKIMKEDTZQCMJH-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP C(CC1CCC1)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256903117 807003988 /nfs/dbraw/zinc/00/39/88/807003988.db2.gz XKIMKEDTZQCMJH-HNNXBMFYSA-N 2 1 250.430 3.173 20 0 CGADMP Cc1cc2cc[nH+]c(NCC3CC[NH+](C(C)C)CC3)c2[nH]1 ZINC001166593897 807060876 /nfs/dbraw/zinc/06/08/76/807060876.db2.gz FJKQCQOCSKMPRM-UHFFFAOYSA-N 2 1 286.423 3.404 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](C(C)C)CC2)cn1 ZINC001257222258 807065135 /nfs/dbraw/zinc/06/51/35/807065135.db2.gz ZOUXORFANIFJRT-GOSISDBHSA-N 2 1 287.451 3.400 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](C(C)C)CC2)cn1 ZINC001257222258 807065145 /nfs/dbraw/zinc/06/51/45/807065145.db2.gz ZOUXORFANIFJRT-GOSISDBHSA-N 2 1 287.451 3.400 20 0 CGADMP CC(C)[NH+]1CCC([N@H+](C)[C@H]2CC[C@H](C)CC2)CC1 ZINC001257223200 807066515 /nfs/dbraw/zinc/06/65/15/807066515.db2.gz MNYNEAFZSWEIPJ-SHTZXODSSA-N 2 1 252.446 3.370 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC1 ZINC001257223200 807066521 /nfs/dbraw/zinc/06/65/21/807066521.db2.gz MNYNEAFZSWEIPJ-SHTZXODSSA-N 2 1 252.446 3.370 20 0 CGADMP CCC[C@H](CC)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001257249924 807069154 /nfs/dbraw/zinc/06/91/54/807069154.db2.gz FBBILRKHICOEEF-AWEZNQCLSA-N 3 1 271.493 3.040 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257365656 807126366 /nfs/dbraw/zinc/12/63/66/807126366.db2.gz NRJTXYVDAAQLSN-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257365656 807126371 /nfs/dbraw/zinc/12/63/71/807126371.db2.gz NRJTXYVDAAQLSN-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257365656 807126376 /nfs/dbraw/zinc/12/63/76/807126376.db2.gz NRJTXYVDAAQLSN-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001257446498 807160590 /nfs/dbraw/zinc/16/05/90/807160590.db2.gz NJOCWEWSDHBVCP-JQHSSLGASA-N 2 1 272.436 3.239 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575806 807208492 /nfs/dbraw/zinc/20/84/92/807208492.db2.gz IDVSDBHWOLIHFI-GJZGRUSLSA-N 2 1 254.462 3.332 20 0 CGADMP Cc1[nH+]c(N)ccc1CNc1cccc(C2=[NH+]CCC2)c1 ZINC001167787349 807252485 /nfs/dbraw/zinc/25/24/85/807252485.db2.gz WENYLJOWVWWPJV-UHFFFAOYSA-N 2 1 280.375 3.167 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001258010434 807264151 /nfs/dbraw/zinc/26/41/51/807264151.db2.gz AFNKDHSXBVBUAV-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001258010434 807264156 /nfs/dbraw/zinc/26/41/56/807264156.db2.gz AFNKDHSXBVBUAV-HOTGVXAUSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC001167931861 807276973 /nfs/dbraw/zinc/27/69/73/807276973.db2.gz QBSHWPAZRDZGNA-IZZQQSIFSA-N 2 1 284.447 3.381 20 0 CGADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068880 807288125 /nfs/dbraw/zinc/28/81/25/807288125.db2.gz GGJCWEXSWUKHAM-VSZNYVQBSA-N 2 1 296.499 3.100 20 0 CGADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068880 807288130 /nfs/dbraw/zinc/28/81/30/807288130.db2.gz GGJCWEXSWUKHAM-VSZNYVQBSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068880 807288133 /nfs/dbraw/zinc/28/81/33/807288133.db2.gz GGJCWEXSWUKHAM-VSZNYVQBSA-N 2 1 296.499 3.100 20 0 CGADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001258068880 807288139 /nfs/dbraw/zinc/28/81/39/807288139.db2.gz GGJCWEXSWUKHAM-VSZNYVQBSA-N 2 1 296.499 3.100 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258067807 807288216 /nfs/dbraw/zinc/28/82/16/807288216.db2.gz UTXKOQUKZRCFHK-VQHPVUNQSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258067807 807288217 /nfs/dbraw/zinc/28/82/17/807288217.db2.gz UTXKOQUKZRCFHK-VQHPVUNQSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258067807 807288219 /nfs/dbraw/zinc/28/82/19/807288219.db2.gz UTXKOQUKZRCFHK-VQHPVUNQSA-N 2 1 266.473 3.331 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258074296 807291463 /nfs/dbraw/zinc/29/14/63/807291463.db2.gz IYLMLCANDRIDGP-GJZGRUSLSA-N 2 1 263.429 3.202 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258074296 807291468 /nfs/dbraw/zinc/29/14/68/807291468.db2.gz IYLMLCANDRIDGP-GJZGRUSLSA-N 2 1 263.429 3.202 20 0 CGADMP C[C@@H]1CC([N@H+]2C[C@@H]3C[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168045360 807303476 /nfs/dbraw/zinc/30/34/76/807303476.db2.gz JEHONGNDRMEOTP-AHCXZYCDSA-N 2 1 284.447 3.380 20 0 CGADMP CC(C)=CCC[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258097494 807306214 /nfs/dbraw/zinc/30/62/14/807306214.db2.gz LHABHHLVRPPWMF-HNNXBMFYSA-N 2 1 250.430 3.291 20 0 CGADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)[C@H](C)C1 ZINC001168209575 807349170 /nfs/dbraw/zinc/34/91/70/807349170.db2.gz XQHHXQGJOOTWFZ-GYTBAZASSA-N 2 1 252.446 3.274 20 0 CGADMP Cc1cnccc1O[C@@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC001168225158 807357180 /nfs/dbraw/zinc/35/71/80/807357180.db2.gz TUTJRKJBNPGATA-AVVWSFFYSA-N 2 1 274.408 3.422 20 0 CGADMP Cc1ccc(C[N@H+](C)C2CCC([NH+](C)C)CC2)cc1 ZINC001168323128 807383441 /nfs/dbraw/zinc/38/34/41/807383441.db2.gz RLMGADAFLUFTKP-UHFFFAOYSA-N 2 1 260.425 3.300 20 0 CGADMP Cc1ccccc1C[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168323424 807383986 /nfs/dbraw/zinc/38/39/86/807383986.db2.gz YUQMACBBVNRGCB-UHFFFAOYSA-N 2 1 260.425 3.300 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258276582 807389618 /nfs/dbraw/zinc/38/96/18/807389618.db2.gz QFLGJTRIZUQWAF-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@@H](N)C1 ZINC001258295676 807401653 /nfs/dbraw/zinc/40/16/53/807401653.db2.gz PVROYELJEWXFLS-QWHCGFSZSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@H](N)C1 ZINC001258295676 807401656 /nfs/dbraw/zinc/40/16/56/807401656.db2.gz PVROYELJEWXFLS-QWHCGFSZSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001258295676 807401658 /nfs/dbraw/zinc/40/16/58/807401658.db2.gz PVROYELJEWXFLS-QWHCGFSZSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001258295676 807401661 /nfs/dbraw/zinc/40/16/61/807401661.db2.gz PVROYELJEWXFLS-QWHCGFSZSA-N 2 1 282.453 3.103 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001168467712 807426721 /nfs/dbraw/zinc/42/67/21/807426721.db2.gz JZGUYAWELCFGLI-WMLDXEAASA-N 2 1 290.426 3.363 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001168467712 807426726 /nfs/dbraw/zinc/42/67/26/807426726.db2.gz JZGUYAWELCFGLI-WMLDXEAASA-N 2 1 290.426 3.363 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCc1ccc(OC)cc1 ZINC001258406883 807442006 /nfs/dbraw/zinc/44/20/06/807442006.db2.gz UZBCFIWWISULPG-INIZCTEOSA-N 2 1 292.467 3.290 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258441862 807452701 /nfs/dbraw/zinc/45/27/01/807452701.db2.gz SYJZGVIKBQLVPP-FGTMMUONSA-N 2 1 295.515 3.056 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001258443434 807453172 /nfs/dbraw/zinc/45/31/72/807453172.db2.gz MIXKIIHFDQFGDC-OWCLPIDISA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](CC1CC1)[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001258466451 807466307 /nfs/dbraw/zinc/46/63/07/807466307.db2.gz QLYBSWGCTOMCGV-IPELMVKDSA-N 2 1 299.462 3.024 20 0 CGADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258619628 807513512 /nfs/dbraw/zinc/51/35/12/807513512.db2.gz UCVUHKHRKFBYHV-NVXWUHKLSA-N 2 1 287.451 3.009 20 0 CGADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258619628 807513516 /nfs/dbraw/zinc/51/35/16/807513516.db2.gz UCVUHKHRKFBYHV-NVXWUHKLSA-N 2 1 287.451 3.009 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258671804 807538029 /nfs/dbraw/zinc/53/80/29/807538029.db2.gz RIEQGMMSXOFQSP-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258671804 807538033 /nfs/dbraw/zinc/53/80/33/807538033.db2.gz RIEQGMMSXOFQSP-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCC[C@H](CCC)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001258671804 807538039 /nfs/dbraw/zinc/53/80/39/807538039.db2.gz RIEQGMMSXOFQSP-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CCCCC[C@H](CCC)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001258671804 807538043 /nfs/dbraw/zinc/53/80/43/807538043.db2.gz RIEQGMMSXOFQSP-OKZBNKHCSA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001169049504 807559834 /nfs/dbraw/zinc/55/98/34/807559834.db2.gz ITHYCYLNAKCPOJ-MSOLQXFVSA-N 2 1 274.452 3.185 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC001169078379 807568177 /nfs/dbraw/zinc/56/81/77/807568177.db2.gz DRGXJCFWWCTNMA-QDMKHBRRSA-N 2 1 298.352 3.420 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC001169078379 807568180 /nfs/dbraw/zinc/56/81/80/807568180.db2.gz DRGXJCFWWCTNMA-QDMKHBRRSA-N 2 1 298.352 3.420 20 0 CGADMP Cc1ccc2c(CC[NH3+])cn([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001169091157 807571068 /nfs/dbraw/zinc/57/10/68/807571068.db2.gz OKOAEMFXHVBDPW-FVQHAEBGSA-N 2 1 297.446 3.249 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCCCCCCO)C2 ZINC001169099696 807575512 /nfs/dbraw/zinc/57/55/12/807575512.db2.gz DWRWOFLJJBMGEM-BCDXTJNWSA-N 2 1 296.499 3.314 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001169099331 807576699 /nfs/dbraw/zinc/57/66/99/807576699.db2.gz PYNOWXYHVRWECN-XLMAVXFVSA-N 2 1 285.435 3.056 20 0 CGADMP Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169099331 807576704 /nfs/dbraw/zinc/57/67/04/807576704.db2.gz PYNOWXYHVRWECN-XLMAVXFVSA-N 2 1 285.435 3.056 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC001169107460 807577772 /nfs/dbraw/zinc/57/77/72/807577772.db2.gz HHDMTSJTPLGOHH-CYUUQNCZSA-N 2 1 292.398 3.110 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001169142806 807591189 /nfs/dbraw/zinc/59/11/89/807591189.db2.gz WCQKTKWUCLXRBS-AKHDSKFASA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001169142806 807591193 /nfs/dbraw/zinc/59/11/93/807591193.db2.gz WCQKTKWUCLXRBS-AKHDSKFASA-N 2 1 284.447 3.491 20 0 CGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001169142806 807591196 /nfs/dbraw/zinc/59/11/96/807591196.db2.gz WCQKTKWUCLXRBS-AKHDSKFASA-N 2 1 284.447 3.491 20 0 CGADMP COc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147016 807593389 /nfs/dbraw/zinc/59/33/89/807593389.db2.gz REVOPDFTJIGJIF-LVQVYYBASA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147016 807593392 /nfs/dbraw/zinc/59/33/92/807593392.db2.gz REVOPDFTJIGJIF-LVQVYYBASA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147016 807593396 /nfs/dbraw/zinc/59/33/96/807593396.db2.gz REVOPDFTJIGJIF-LVQVYYBASA-N 2 1 288.435 3.313 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147016 807593400 /nfs/dbraw/zinc/59/34/00/807593400.db2.gz REVOPDFTJIGJIF-LVQVYYBASA-N 2 1 288.435 3.313 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169156422 807596207 /nfs/dbraw/zinc/59/62/07/807596207.db2.gz XXNYQGVJQWRSGF-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169156422 807596212 /nfs/dbraw/zinc/59/62/12/807596212.db2.gz XXNYQGVJQWRSGF-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP CC[NH+](Cc1cccc(F)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169156422 807596218 /nfs/dbraw/zinc/59/62/18/807596218.db2.gz XXNYQGVJQWRSGF-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CC[C@H](C)C(F)(F)CC2)CC1 ZINC001258771734 807605226 /nfs/dbraw/zinc/60/52/26/807605226.db2.gz RINZUBKHMDQUJO-ZDUSSCGKSA-N 2 1 274.399 3.228 20 0 CGADMP CCCN1CCC([N@H+]2CCC(=O)[C@H](C)C23CCCC3)CC1 ZINC001258778021 807606614 /nfs/dbraw/zinc/60/66/14/807606614.db2.gz RRICRQSJVZCRNI-HNNXBMFYSA-N 2 1 292.467 3.085 20 0 CGADMP CCC[NH+]1CCC(N2CCC(=O)[C@H](C)C23CCCC3)CC1 ZINC001258778021 807606621 /nfs/dbraw/zinc/60/66/21/807606621.db2.gz RRICRQSJVZCRNI-HNNXBMFYSA-N 2 1 292.467 3.085 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001169230851 807609733 /nfs/dbraw/zinc/60/97/33/807609733.db2.gz MJVHHUPZYJUHAU-JKSUJKDBSA-N 2 1 278.827 3.270 20 0 CGADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001169258951 807616601 /nfs/dbraw/zinc/61/66/01/807616601.db2.gz VXXDYXBUYNUUOQ-KRWDZBQOSA-N 2 1 272.436 3.035 20 0 CGADMP CC[NH+]1CCC([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001169258951 807616608 /nfs/dbraw/zinc/61/66/08/807616608.db2.gz VXXDYXBUYNUUOQ-KRWDZBQOSA-N 2 1 272.436 3.035 20 0 CGADMP CC[NH+]1CCC([NH+]2CCC(c3cccc(O)c3)CC2)CC1 ZINC001169263484 807617570 /nfs/dbraw/zinc/61/75/70/807617570.db2.gz AGADKWODSULPHD-UHFFFAOYSA-N 2 1 288.435 3.056 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001258797197 807619101 /nfs/dbraw/zinc/61/91/01/807619101.db2.gz KUUORUQSVQWARL-YHUYYLMFSA-N 2 1 252.446 3.227 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258798792 807620583 /nfs/dbraw/zinc/62/05/83/807620583.db2.gz YUTIGWXVPCGDHO-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258798792 807620586 /nfs/dbraw/zinc/62/05/86/807620586.db2.gz YUTIGWXVPCGDHO-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C[C@@H](C)CC)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258798792 807620589 /nfs/dbraw/zinc/62/05/89/807620589.db2.gz YUTIGWXVPCGDHO-XHSDSOJGSA-N 2 1 252.446 3.229 20 0 CGADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258799817 807621629 /nfs/dbraw/zinc/62/16/29/807621629.db2.gz IRZAUIGDVHQLGQ-JONQDZQNSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258799817 807621635 /nfs/dbraw/zinc/62/16/35/807621635.db2.gz IRZAUIGDVHQLGQ-JONQDZQNSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258799817 807621641 /nfs/dbraw/zinc/62/16/41/807621641.db2.gz IRZAUIGDVHQLGQ-JONQDZQNSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC001258901906 807670266 /nfs/dbraw/zinc/67/02/66/807670266.db2.gz PRCQSWXUMMSATM-INIZCTEOSA-N 2 1 295.515 3.103 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)Cc1ccncc1 ZINC001258907869 807672396 /nfs/dbraw/zinc/67/23/96/807672396.db2.gz NOUVJICUETWMGL-MRXNPFEDSA-N 2 1 277.456 3.414 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](C)(CF)C1 ZINC001258907615 807672664 /nfs/dbraw/zinc/67/26/64/807672664.db2.gz LHZAFZXRQPEODO-LSDHHAIUSA-N 2 1 258.425 3.178 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170117572 807764382 /nfs/dbraw/zinc/76/43/82/807764382.db2.gz MGLKQSWTXKGVBK-DKIMLUQUSA-N 2 1 287.451 3.342 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC001170161147 807782594 /nfs/dbraw/zinc/78/25/94/807782594.db2.gz LDVAYXNFXUIUAK-ZBFHGGJFSA-N 2 1 252.446 3.371 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001170249703 807802749 /nfs/dbraw/zinc/80/27/49/807802749.db2.gz AGJXFSBLGPPAMH-HNKHHVNMSA-N 2 1 292.854 3.486 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001170246356 807803749 /nfs/dbraw/zinc/80/37/49/807803749.db2.gz UCHXUUKZBOSKAL-SJORKVTESA-N 2 1 282.472 3.140 20 0 CGADMP CC[N@@H+]1C[C@H]2CN([C@H](C)Cc3ccccc3Cl)C[C@H]2C1 ZINC001170296089 807818067 /nfs/dbraw/zinc/81/80/67/807818067.db2.gz YTFOAPDTUXPKNK-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3Cl)C[C@@H]2C1 ZINC001170296089 807818076 /nfs/dbraw/zinc/81/80/76/807818076.db2.gz YTFOAPDTUXPKNK-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3Cl)C[C@@H]2C1 ZINC001170296089 807818085 /nfs/dbraw/zinc/81/80/85/807818085.db2.gz YTFOAPDTUXPKNK-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccccc3Cl)C[C@@H]2C1 ZINC001170296089 807818093 /nfs/dbraw/zinc/81/80/93/807818093.db2.gz YTFOAPDTUXPKNK-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccccc3Cl)C[C@@H]2C1 ZINC001170296089 807818101 /nfs/dbraw/zinc/81/81/01/807818101.db2.gz YTFOAPDTUXPKNK-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170914155 807932389 /nfs/dbraw/zinc/93/23/89/807932389.db2.gz HMNCTWIXNXJPSW-IFIJOSMWSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170914155 807932393 /nfs/dbraw/zinc/93/23/93/807932393.db2.gz HMNCTWIXNXJPSW-IFIJOSMWSA-N 2 1 292.854 3.127 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171393371 808044211 /nfs/dbraw/zinc/04/42/11/808044211.db2.gz CCJXRRWWWYCLIK-GOEBONIOSA-N 2 1 290.426 3.005 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171405723 808047570 /nfs/dbraw/zinc/04/75/70/808047570.db2.gz XUYFYCVYSNBJAI-JLSDUUJJSA-N 2 1 290.426 3.145 20 0 CGADMP Cc1ccncc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619481 808106896 /nfs/dbraw/zinc/10/68/96/808106896.db2.gz MFIFVTNGWHNYEZ-UHFFFAOYSA-N 2 1 275.440 3.131 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC(C)(C)C[C@]2(C)CO)CC1(C)C ZINC001171630800 808107807 /nfs/dbraw/zinc/10/78/07/808107807.db2.gz CFAJGVTZHAAIRO-GOSISDBHSA-N 2 1 296.499 3.121 20 0 CGADMP C[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@@]1(C)O ZINC001171632118 808109757 /nfs/dbraw/zinc/10/97/57/808109757.db2.gz VJWJPNNUZIRRBM-KBXCAEBGSA-N 2 1 296.499 3.121 20 0 CGADMP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967279 808161262 /nfs/dbraw/zinc/16/12/62/808161262.db2.gz YUTGAQGPRMBSGU-MRXNPFEDSA-N 2 1 260.425 3.429 20 0 CGADMP CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976027 808163123 /nfs/dbraw/zinc/16/31/23/808163123.db2.gz HRMPIEITQZSAPU-INIZCTEOSA-N 2 1 260.425 3.381 20 0 CGADMP CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976027 808163125 /nfs/dbraw/zinc/16/31/25/808163125.db2.gz HRMPIEITQZSAPU-INIZCTEOSA-N 2 1 260.425 3.381 20 0 CGADMP CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976027 808163129 /nfs/dbraw/zinc/16/31/29/808163129.db2.gz HRMPIEITQZSAPU-INIZCTEOSA-N 2 1 260.425 3.381 20 0 CGADMP CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976027 808163132 /nfs/dbraw/zinc/16/31/32/808163132.db2.gz HRMPIEITQZSAPU-INIZCTEOSA-N 2 1 260.425 3.381 20 0 CGADMP CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976030 808163793 /nfs/dbraw/zinc/16/37/93/808163793.db2.gz HRMPIEITQZSAPU-MRXNPFEDSA-N 2 1 260.425 3.381 20 0 CGADMP CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976030 808163797 /nfs/dbraw/zinc/16/37/97/808163797.db2.gz HRMPIEITQZSAPU-MRXNPFEDSA-N 2 1 260.425 3.381 20 0 CGADMP CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976030 808163802 /nfs/dbraw/zinc/16/38/02/808163802.db2.gz HRMPIEITQZSAPU-MRXNPFEDSA-N 2 1 260.425 3.381 20 0 CGADMP CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976030 808163805 /nfs/dbraw/zinc/16/38/05/808163805.db2.gz HRMPIEITQZSAPU-MRXNPFEDSA-N 2 1 260.425 3.381 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccccc1Cl)C2 ZINC001172100030 808171971 /nfs/dbraw/zinc/17/19/71/808171971.db2.gz OUTZJECYRDLDQJ-PHZGNYQRSA-N 2 1 292.854 3.487 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(O)c1 ZINC001172102423 808173762 /nfs/dbraw/zinc/17/37/62/808173762.db2.gz MTJGTZPNWAKPLB-DMRZNYOFSA-N 2 1 274.408 3.058 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(O)c1 ZINC001172102423 808173766 /nfs/dbraw/zinc/17/37/66/808173766.db2.gz MTJGTZPNWAKPLB-DMRZNYOFSA-N 2 1 274.408 3.058 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172102199 808174099 /nfs/dbraw/zinc/17/40/99/808174099.db2.gz KYYCSPLSCAKEBI-LDLYASANSA-N 2 1 286.463 3.451 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ncccc1C ZINC001172102873 808174190 /nfs/dbraw/zinc/17/41/90/808174190.db2.gz PVWFVJSIJFZWCP-YYIAUSFCSA-N 2 1 287.451 3.446 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3ncccc31)C2 ZINC001172104255 808175134 /nfs/dbraw/zinc/17/51/34/808175134.db2.gz BHRLXHNHFLAUQI-ZXFNITATSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3ncccc31)C2 ZINC001172104255 808175136 /nfs/dbraw/zinc/17/51/36/808175136.db2.gz BHRLXHNHFLAUQI-ZXFNITATSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3cnccc31)C2 ZINC001172110519 808178043 /nfs/dbraw/zinc/17/80/43/808178043.db2.gz OARBBTGSMLXFCI-KYHPRHEASA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3cnccc31)C2 ZINC001172110519 808178049 /nfs/dbraw/zinc/17/80/49/808178049.db2.gz OARBBTGSMLXFCI-KYHPRHEASA-N 2 1 285.435 3.064 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC13CCC3)C2 ZINC001172109151 808178278 /nfs/dbraw/zinc/17/82/78/808178278.db2.gz BRNKPBCHVKIGDS-LVQVYYBASA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC13CCC3)C2 ZINC001172109151 808178282 /nfs/dbraw/zinc/17/82/82/808178282.db2.gz BRNKPBCHVKIGDS-LVQVYYBASA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCc3ccccc3C1)C2 ZINC001172111309 808178731 /nfs/dbraw/zinc/17/87/31/808178731.db2.gz PVBFJIIQYIMSKN-XLNTUCKNSA-N 2 1 298.474 3.396 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC13CCCCC3)C2 ZINC001172117556 808180087 /nfs/dbraw/zinc/18/00/87/808180087.db2.gz MGNLMIRHDJPDEA-QKPAOTATSA-N 2 1 262.441 3.314 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC13CCCCC3)C2 ZINC001172117556 808180090 /nfs/dbraw/zinc/18/00/90/808180090.db2.gz MGNLMIRHDJPDEA-QKPAOTATSA-N 2 1 262.441 3.314 20 0 CGADMP Cc1cc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)no1 ZINC001172114658 808180606 /nfs/dbraw/zinc/18/06/06/808180606.db2.gz RXCLJDANVKWGGD-HWMZRRJGSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC001172114658 808180610 /nfs/dbraw/zinc/18/06/10/808180610.db2.gz RXCLJDANVKWGGD-HWMZRRJGSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001172114658 808180612 /nfs/dbraw/zinc/18/06/12/808180612.db2.gz RXCLJDANVKWGGD-HWMZRRJGSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001172114658 808180615 /nfs/dbraw/zinc/18/06/15/808180615.db2.gz RXCLJDANVKWGGD-HWMZRRJGSA-N 2 1 289.423 3.135 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116982 808181013 /nfs/dbraw/zinc/18/10/13/808181013.db2.gz FIIAOVSMGYQDBT-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116982 808181017 /nfs/dbraw/zinc/18/10/17/808181017.db2.gz FIIAOVSMGYQDBT-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116982 808181021 /nfs/dbraw/zinc/18/10/21/808181021.db2.gz FIIAOVSMGYQDBT-FVQHAEBGSA-N 2 1 276.399 3.273 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001172126529 808186943 /nfs/dbraw/zinc/18/69/43/808186943.db2.gz WRXDMJCKWKYFTL-SUJAAXHWSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001172126529 808186945 /nfs/dbraw/zinc/18/69/45/808186945.db2.gz WRXDMJCKWKYFTL-SUJAAXHWSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001172126529 808186949 /nfs/dbraw/zinc/18/69/49/808186949.db2.gz WRXDMJCKWKYFTL-SUJAAXHWSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001172126529 808186950 /nfs/dbraw/zinc/18/69/50/808186950.db2.gz WRXDMJCKWKYFTL-SUJAAXHWSA-N 2 1 250.430 3.122 20 0 CGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231640 808205119 /nfs/dbraw/zinc/20/51/19/808205119.db2.gz SRRCGJLLNRTUPT-VQTPCSAVSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231640 808205120 /nfs/dbraw/zinc/20/51/20/808205120.db2.gz SRRCGJLLNRTUPT-VQTPCSAVSA-N 2 1 292.467 3.035 20 0 CGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231640 808205122 /nfs/dbraw/zinc/20/51/22/808205122.db2.gz SRRCGJLLNRTUPT-VQTPCSAVSA-N 2 1 292.467 3.035 20 0 CGADMP CCCC[NH+](CCCC)C1CC[NH+](CCCOC)CC1 ZINC001172256407 808208999 /nfs/dbraw/zinc/20/89/99/808208999.db2.gz VNAPIZJKCUZLBO-UHFFFAOYSA-N 2 1 284.488 3.390 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172335841 808237309 /nfs/dbraw/zinc/23/73/09/808237309.db2.gz KRWHJCDNZBIYGF-INMHGKMJSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172335841 808237312 /nfs/dbraw/zinc/23/73/12/808237312.db2.gz KRWHJCDNZBIYGF-INMHGKMJSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172333289 808237671 /nfs/dbraw/zinc/23/76/71/808237671.db2.gz FPJVPLJKRYZVDA-OWCLPIDISA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172333289 808237676 /nfs/dbraw/zinc/23/76/76/808237676.db2.gz FPJVPLJKRYZVDA-OWCLPIDISA-N 2 1 282.472 3.187 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172335397 808237707 /nfs/dbraw/zinc/23/77/07/808237707.db2.gz FBWAYAYTJAFTPI-HOTGVXAUSA-N 2 1 282.472 3.140 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172361075 808255330 /nfs/dbraw/zinc/25/53/30/808255330.db2.gz ZFISUOWMKLCHHA-HLZFJGBKSA-N 2 1 250.430 3.026 20 0 CGADMP CCOCC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172419107 808301699 /nfs/dbraw/zinc/30/16/99/808301699.db2.gz FWZSTQLQQPIVBL-BZUAXINKSA-N 2 1 270.461 3.029 20 0 CGADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172532040 808369526 /nfs/dbraw/zinc/36/95/26/808369526.db2.gz CTVIYPOEZSZNAJ-CVEARBPZSA-N 2 1 269.392 3.283 20 0 CGADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172538787 808371270 /nfs/dbraw/zinc/37/12/70/808371270.db2.gz SXJULDPDHJGWKL-CGTJXYLNSA-N 2 1 272.436 3.254 20 0 CGADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537869 808371582 /nfs/dbraw/zinc/37/15/82/808371582.db2.gz WWRCZNQEESYMMS-UAGQMJEPSA-N 2 1 260.425 3.239 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)C(C)(C)C[NH3+] ZINC001172881981 808474835 /nfs/dbraw/zinc/47/48/35/808474835.db2.gz KXVLGIPOWFMNPK-LLVKDONJSA-N 2 1 286.872 3.490 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)C(C)(C)C[NH3+] ZINC001172881981 808474839 /nfs/dbraw/zinc/47/48/39/808474839.db2.gz KXVLGIPOWFMNPK-LLVKDONJSA-N 2 1 286.872 3.490 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001172926785 808484287 /nfs/dbraw/zinc/48/42/87/808484287.db2.gz SJXQVCNEOFOAOP-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001172926785 808484293 /nfs/dbraw/zinc/48/42/93/808484293.db2.gz SJXQVCNEOFOAOP-FGTMMUONSA-N 2 1 294.483 3.188 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCC2(CCOCC2)CC1 ZINC001173049017 808499899 /nfs/dbraw/zinc/49/98/99/808499899.db2.gz IHVYISPSANZTGM-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP CCCOC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001173096882 808508397 /nfs/dbraw/zinc/50/83/97/808508397.db2.gz UTSCMZFSLSAPAZ-FCCDEINASA-N 2 1 296.499 3.433 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](N(C)C(C)C)C2)CC1 ZINC001173113909 808513510 /nfs/dbraw/zinc/51/35/10/808513510.db2.gz ONDDYRSVLRTKHJ-ABHNRTSZSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+](CC)C1CCC(N2CC[C@H]([N@H+](C)C(C)C)C2)CC1 ZINC001173113909 808513512 /nfs/dbraw/zinc/51/35/12/808513512.db2.gz ONDDYRSVLRTKHJ-ABHNRTSZSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+](CC)C1CCC(N2CC[C@H]([N@@H+](C)C(C)C)C2)CC1 ZINC001173113909 808513516 /nfs/dbraw/zinc/51/35/16/808513516.db2.gz ONDDYRSVLRTKHJ-ABHNRTSZSA-N 2 1 295.515 3.054 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cncs2)CC1 ZINC001173114172 808513714 /nfs/dbraw/zinc/51/37/14/808513714.db2.gz YJTQZWDWQSSXEP-UHFFFAOYSA-N 2 1 281.469 3.228 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])C1CCC(Oc2ccccc2)CC1 ZINC001173197869 808534644 /nfs/dbraw/zinc/53/46/44/808534644.db2.gz LVCDQZPJEPBHBW-UHFFFAOYSA-N 2 1 290.451 3.436 20 0 CGADMP CCSC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001173290693 808590881 /nfs/dbraw/zinc/59/08/81/808590881.db2.gz FQKRMMONJIDLOM-DOTOQJQBSA-N 2 1 292.492 3.240 20 0 CGADMP CCSC[C@@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001173311565 808605740 /nfs/dbraw/zinc/60/57/40/808605740.db2.gz MOJJGEDJZHIXAM-PMPSAXMXSA-N 2 1 284.513 3.467 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001173311565 808605744 /nfs/dbraw/zinc/60/57/44/808605744.db2.gz MOJJGEDJZHIXAM-PMPSAXMXSA-N 2 1 284.513 3.467 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001173311565 808605749 /nfs/dbraw/zinc/60/57/49/808605749.db2.gz MOJJGEDJZHIXAM-PMPSAXMXSA-N 2 1 284.513 3.467 20 0 CGADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(Cl)ccc32)C1 ZINC001173350428 808626729 /nfs/dbraw/zinc/62/67/29/808626729.db2.gz OFCNUMHEAYCMSI-AWEZNQCLSA-N 2 1 291.826 3.063 20 0 CGADMP CC[N@H+]1CC[C@@H](n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)C1 ZINC001173360604 808629253 /nfs/dbraw/zinc/62/92/53/808629253.db2.gz QHLKBCCZDHQPIT-GDBMZVCRSA-N 2 1 285.435 3.106 20 0 CGADMP Cc1cc(F)cc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001274999342 808897774 /nfs/dbraw/zinc/89/77/74/808897774.db2.gz ZNUQAUTWVGODDF-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP CCC(CC)C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275068989 808903382 /nfs/dbraw/zinc/90/33/82/808903382.db2.gz CEEVJOOQXGJNMK-UHFFFAOYSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[NH+]1CCC2(CC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001275104005 808909772 /nfs/dbraw/zinc/90/97/72/808909772.db2.gz WVBSIBYSWCYMSR-UHFFFAOYSA-N 2 1 293.480 3.149 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3cnccc31)CC2 ZINC001275960052 808979334 /nfs/dbraw/zinc/97/93/34/808979334.db2.gz MTQMPJQPEVUASG-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1C ZINC001275967166 808981121 /nfs/dbraw/zinc/98/11/21/808981121.db2.gz KZFXZQFCMHEKGY-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1C ZINC001275967166 808981125 /nfs/dbraw/zinc/98/11/25/808981125.db2.gz KZFXZQFCMHEKGY-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1C ZINC001275967166 808981130 /nfs/dbraw/zinc/98/11/30/808981130.db2.gz KZFXZQFCMHEKGY-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1c(F)ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1F ZINC001276018994 808984279 /nfs/dbraw/zinc/98/42/79/808984279.db2.gz JIZRHZHTEFVGBF-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1c(F)ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1F ZINC001276018994 808984286 /nfs/dbraw/zinc/98/42/86/808984286.db2.gz JIZRHZHTEFVGBF-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1F ZINC001276018994 808984290 /nfs/dbraw/zinc/98/42/90/808984290.db2.gz JIZRHZHTEFVGBF-OKILXGFUSA-N 2 1 294.389 3.047 20 0 CGADMP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c[nH]1 ZINC001276101801 808987485 /nfs/dbraw/zinc/98/74/85/808987485.db2.gz LPMHJEISMBPFGR-GOSISDBHSA-N 2 1 287.451 3.245 20 0 CGADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c[nH]1 ZINC001276101801 808987488 /nfs/dbraw/zinc/98/74/88/808987488.db2.gz LPMHJEISMBPFGR-GOSISDBHSA-N 2 1 287.451 3.245 20 0 CGADMP c1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c[nH]1 ZINC001276101801 808987490 /nfs/dbraw/zinc/98/74/90/808987490.db2.gz LPMHJEISMBPFGR-GOSISDBHSA-N 2 1 287.451 3.245 20 0 CGADMP c1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c[nH]1 ZINC001276101801 808987492 /nfs/dbraw/zinc/98/74/92/808987492.db2.gz LPMHJEISMBPFGR-GOSISDBHSA-N 2 1 287.451 3.245 20 0 CGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)cnc3F)(C1)CCC2 ZINC001276398704 809005279 /nfs/dbraw/zinc/00/52/79/809005279.db2.gz XFKJJVOCBQVOIE-LSDHHAIUSA-N 2 1 297.805 3.029 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001276472275 809011058 /nfs/dbraw/zinc/01/10/58/809011058.db2.gz LJHCGFMQHYUWRJ-OKZBNKHCSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001276472275 809011065 /nfs/dbraw/zinc/01/10/65/809011065.db2.gz LJHCGFMQHYUWRJ-OKZBNKHCSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001276472275 809011070 /nfs/dbraw/zinc/01/10/70/809011070.db2.gz LJHCGFMQHYUWRJ-OKZBNKHCSA-N 2 1 276.468 3.397 20 0 CGADMP Cc1cccc(F)c1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276687376 809024663 /nfs/dbraw/zinc/02/46/63/809024663.db2.gz CMIPTSHKBNOEMZ-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cccc(F)c1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276687376 809024671 /nfs/dbraw/zinc/02/46/71/809024671.db2.gz CMIPTSHKBNOEMZ-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cccc(F)c1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276687376 809024679 /nfs/dbraw/zinc/02/46/79/809024679.db2.gz CMIPTSHKBNOEMZ-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cccc(F)c1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276687376 809024687 /nfs/dbraw/zinc/02/46/87/809024687.db2.gz CMIPTSHKBNOEMZ-SFHVURJKSA-N 2 1 290.426 3.442 20 0 CGADMP C[N@H+]1CCC[C@]2(CCC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759161 809028388 /nfs/dbraw/zinc/02/83/88/809028388.db2.gz JPGQVLSLSJKUDR-MLHJIOFPSA-N 2 1 274.452 3.006 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759161 809028394 /nfs/dbraw/zinc/02/83/94/809028394.db2.gz JPGQVLSLSJKUDR-MLHJIOFPSA-N 2 1 274.452 3.006 20 0 CGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759161 809028400 /nfs/dbraw/zinc/02/84/00/809028400.db2.gz JPGQVLSLSJKUDR-MLHJIOFPSA-N 2 1 274.452 3.006 20 0 CGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276762946 809028931 /nfs/dbraw/zinc/02/89/31/809028931.db2.gz ABIFPVMQUJZBGH-GVDBMIGSSA-N 2 1 286.463 3.149 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759157 809029866 /nfs/dbraw/zinc/02/98/66/809029866.db2.gz JPGQVLSLSJKUDR-BSDSXHPESA-N 2 1 274.452 3.006 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759157 809029873 /nfs/dbraw/zinc/02/98/73/809029873.db2.gz JPGQVLSLSJKUDR-BSDSXHPESA-N 2 1 274.452 3.006 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276759157 809029881 /nfs/dbraw/zinc/02/98/81/809029881.db2.gz JPGQVLSLSJKUDR-BSDSXHPESA-N 2 1 274.452 3.006 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C3CC3)cc1)CC2 ZINC001276819834 809033374 /nfs/dbraw/zinc/03/33/74/809033374.db2.gz ZJDIZRXSRMYUCN-UHFFFAOYSA-N 2 1 284.447 3.482 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3c1CCC3)C2 ZINC001277477890 809077698 /nfs/dbraw/zinc/07/76/98/809077698.db2.gz CXJQWCRHLOVLDF-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3c1CCC3)C2 ZINC001277477890 809077708 /nfs/dbraw/zinc/07/77/08/809077708.db2.gz CXJQWCRHLOVLDF-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001277477890 809077711 /nfs/dbraw/zinc/07/77/11/809077711.db2.gz CXJQWCRHLOVLDF-IBGZPJMESA-N 2 1 284.447 3.093 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001174703961 809137881 /nfs/dbraw/zinc/13/78/81/809137881.db2.gz ASKPNVPBYGZXIX-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CCO1 ZINC001174932996 809204751 /nfs/dbraw/zinc/20/47/51/809204751.db2.gz IELLCPFZUCXZRA-DLBZAZTESA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)c1cccc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001176640774 809735323 /nfs/dbraw/zinc/73/53/23/809735323.db2.gz OCUGUDDQRAOKCM-MSOLQXFVSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001176640774 809735333 /nfs/dbraw/zinc/73/53/33/809735333.db2.gz OCUGUDDQRAOKCM-MSOLQXFVSA-N 2 1 272.436 3.194 20 0 CGADMP CC(C)c1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001176640774 809735337 /nfs/dbraw/zinc/73/53/37/809735337.db2.gz OCUGUDDQRAOKCM-MSOLQXFVSA-N 2 1 272.436 3.194 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001177319035 809794043 /nfs/dbraw/zinc/79/40/43/809794043.db2.gz RANGRGOCCQSOOX-ZDUSSCGKSA-N 2 1 298.377 3.028 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2OC(F)F)C1 ZINC001177319035 809794044 /nfs/dbraw/zinc/79/40/44/809794044.db2.gz RANGRGOCCQSOOX-ZDUSSCGKSA-N 2 1 298.377 3.028 20 0 CGADMP CC[C@H](COC)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001177920905 809831484 /nfs/dbraw/zinc/83/14/84/809831484.db2.gz YRXZFXQQNHKEND-QGZVFWFLSA-N 2 1 292.467 3.159 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC001179257680 809910619 /nfs/dbraw/zinc/91/06/19/809910619.db2.gz FUDJKSMWOQXQDJ-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC001179257680 809910622 /nfs/dbraw/zinc/91/06/22/809910622.db2.gz FUDJKSMWOQXQDJ-MRXNPFEDSA-N 2 1 290.426 3.346 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(CC4CCC4)c3)[C@@H]2C1 ZINC001179817922 809948905 /nfs/dbraw/zinc/94/89/05/809948905.db2.gz SJFUIPGSQVUKHU-XUVXKRRUSA-N 2 1 298.474 3.459 20 0 CGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001179818565 809948992 /nfs/dbraw/zinc/94/89/92/809948992.db2.gz YXDIOOQHEMUNBU-IJEWVQPXSA-N 2 1 278.827 3.078 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695621 810157074 /nfs/dbraw/zinc/15/70/74/810157074.db2.gz GPBVTNSOWQHMBO-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695621 810157078 /nfs/dbraw/zinc/15/70/78/810157078.db2.gz GPBVTNSOWQHMBO-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695621 810157081 /nfs/dbraw/zinc/15/70/81/810157081.db2.gz GPBVTNSOWQHMBO-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001183695621 810157086 /nfs/dbraw/zinc/15/70/86/810157086.db2.gz GPBVTNSOWQHMBO-LULLPPNCSA-N 2 1 284.447 3.096 20 0 CGADMP c1ccc(C[C@H]2C[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001184339726 810194211 /nfs/dbraw/zinc/19/42/11/810194211.db2.gz SARXQLXGDNMBRJ-DLBZAZTESA-N 2 1 284.447 3.082 20 0 CGADMP CCCN(CC[NH+]1CCCC1)C[C@H]1CCCC[N@H+]1C(C)C ZINC001194221602 811037915 /nfs/dbraw/zinc/03/79/15/811037915.db2.gz MCZRGQOMZXWTIR-GOSISDBHSA-N 2 1 295.515 3.057 20 0 CGADMP CC[C@@H](C)[N@H+]1CCCN(Cc2ccccc2)CCOCC1 ZINC001198140849 811480428 /nfs/dbraw/zinc/48/04/28/811480428.db2.gz OPGQPBYJZQBFNX-QGZVFWFLSA-N 2 1 290.451 3.009 20 0 CGADMP CC(C)CCC[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001199329186 811572687 /nfs/dbraw/zinc/57/26/87/811572687.db2.gz PCLAWEGYKLFCLX-IYBDPMFKSA-N 2 1 254.462 3.380 20 0 CGADMP CC(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201482306 811859435 /nfs/dbraw/zinc/85/94/35/811859435.db2.gz IBZXWEXEHIFOJQ-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201482306 811859439 /nfs/dbraw/zinc/85/94/39/811859439.db2.gz IBZXWEXEHIFOJQ-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201482306 811859447 /nfs/dbraw/zinc/85/94/47/811859447.db2.gz IBZXWEXEHIFOJQ-OALUTQOASA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201501155 811871488 /nfs/dbraw/zinc/87/14/88/811871488.db2.gz HEIJNQOKYSZDQP-KFWWJZLASA-N 2 1 278.465 3.158 20 0 CGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201501155 811871497 /nfs/dbraw/zinc/87/14/97/811871497.db2.gz HEIJNQOKYSZDQP-KFWWJZLASA-N 2 1 278.465 3.158 20 0 CGADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201501155 811871507 /nfs/dbraw/zinc/87/15/07/811871507.db2.gz HEIJNQOKYSZDQP-KFWWJZLASA-N 2 1 278.465 3.158 20 0 CGADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201501155 811871517 /nfs/dbraw/zinc/87/15/17/811871517.db2.gz HEIJNQOKYSZDQP-KFWWJZLASA-N 2 1 278.465 3.158 20 0 CGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001201511384 811877175 /nfs/dbraw/zinc/87/71/75/811877175.db2.gz LDCMOWZDSZMBTD-HZPDHXFCSA-N 2 1 252.446 3.373 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516802 811879459 /nfs/dbraw/zinc/87/94/59/811879459.db2.gz CBTFGDWIGKMTHP-UHOSZYNNSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516802 811879469 /nfs/dbraw/zinc/87/94/69/811879469.db2.gz CBTFGDWIGKMTHP-UHOSZYNNSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516802 811879476 /nfs/dbraw/zinc/87/94/76/811879476.db2.gz CBTFGDWIGKMTHP-UHOSZYNNSA-N 2 1 286.463 3.486 20 0 CGADMP CCC[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001201637263 811927621 /nfs/dbraw/zinc/92/76/21/811927621.db2.gz SNJLRGKKHFHUFR-MRXNPFEDSA-N 2 1 276.424 3.366 20 0 CGADMP CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201707282 811942025 /nfs/dbraw/zinc/94/20/25/811942025.db2.gz YPGIPWJMLGLUFY-HDICACEKSA-N 2 1 272.436 3.159 20 0 CGADMP CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201707282 811942028 /nfs/dbraw/zinc/94/20/28/811942028.db2.gz YPGIPWJMLGLUFY-HDICACEKSA-N 2 1 272.436 3.159 20 0 CGADMP CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201707282 811942035 /nfs/dbraw/zinc/94/20/35/811942035.db2.gz YPGIPWJMLGLUFY-HDICACEKSA-N 2 1 272.436 3.159 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001202655153 812148118 /nfs/dbraw/zinc/14/81/18/812148118.db2.gz KJMXKIZIIDCDSM-ZNMIVQPWSA-N 2 1 272.502 3.371 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001202655153 812148123 /nfs/dbraw/zinc/14/81/23/812148123.db2.gz KJMXKIZIIDCDSM-ZNMIVQPWSA-N 2 1 272.502 3.371 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001203294004 812297365 /nfs/dbraw/zinc/29/73/65/812297365.db2.gz PWILBBXRWTWXFB-MRXNPFEDSA-N 2 1 276.424 3.428 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001203294004 812297372 /nfs/dbraw/zinc/29/73/72/812297372.db2.gz PWILBBXRWTWXFB-MRXNPFEDSA-N 2 1 276.424 3.428 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC001204110669 812549424 /nfs/dbraw/zinc/54/94/24/812549424.db2.gz HFVBYILCPGYFTM-CYBMUJFWSA-N 2 1 275.396 3.038 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(SC)cc3)C[C@H]2C1 ZINC001204146697 812558369 /nfs/dbraw/zinc/55/83/69/812558369.db2.gz QDCOJIMDYNCDSM-HZPDHXFCSA-N 2 1 290.476 3.182 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)c2ccccc12 ZINC001204319410 812611125 /nfs/dbraw/zinc/61/11/25/812611125.db2.gz SQUCLIZBGZIURA-UHFFFAOYSA-N 2 1 287.451 3.342 20 0 CGADMP COc1cc(C[N@@H+](C(C)C)C2CCN(C)CC2)ccc1F ZINC001204562172 812677435 /nfs/dbraw/zinc/67/74/35/812677435.db2.gz IOWUXFUHRLFEFR-UHFFFAOYSA-N 2 1 294.414 3.139 20 0 CGADMP CCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C)CC ZINC001204630631 812694830 /nfs/dbraw/zinc/69/48/30/812694830.db2.gz PVTSRGRWXSBQPH-LBPRGKRZSA-N 2 1 266.454 3.404 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204792689 812738041 /nfs/dbraw/zinc/73/80/41/812738041.db2.gz YQEBXLXWDPQAGB-GOSISDBHSA-N 2 1 284.378 3.416 20 0 CGADMP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204792689 812738047 /nfs/dbraw/zinc/73/80/47/812738047.db2.gz YQEBXLXWDPQAGB-GOSISDBHSA-N 2 1 284.378 3.416 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC001204937355 812784625 /nfs/dbraw/zinc/78/46/25/812784625.db2.gz CLYXCIDFWDNDCV-QGZVFWFLSA-N 2 1 254.377 3.153 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001204937355 812784630 /nfs/dbraw/zinc/78/46/30/812784630.db2.gz CLYXCIDFWDNDCV-QGZVFWFLSA-N 2 1 254.377 3.153 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](CCCCCOCc2ccccc2)C1 ZINC001204940662 812789379 /nfs/dbraw/zinc/78/93/79/812789379.db2.gz ZPYBATWWFLHZHV-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001204940662 812789384 /nfs/dbraw/zinc/78/93/84/812789384.db2.gz ZPYBATWWFLHZHV-SFHVURJKSA-N 2 1 290.451 3.187 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001205009451 812822522 /nfs/dbraw/zinc/82/25/22/812822522.db2.gz SUMXLFSYPMCUKZ-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001205009451 812822531 /nfs/dbraw/zinc/82/25/31/812822531.db2.gz SUMXLFSYPMCUKZ-LBPRGKRZSA-N 2 1 291.826 3.253 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@H](C[NH2+]C)C3)cc21 ZINC001205009553 812824063 /nfs/dbraw/zinc/82/40/63/812824063.db2.gz WXPGGFFWISFPLZ-MRXNPFEDSA-N 2 1 285.435 3.093 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C)c2C)C1 ZINC001205018645 812829372 /nfs/dbraw/zinc/82/93/72/812829372.db2.gz WWULHCMCOZMZAF-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C)c2C)C1 ZINC001205018645 812829382 /nfs/dbraw/zinc/82/93/82/812829382.db2.gz WWULHCMCOZMZAF-CQSZACIVSA-N 2 1 280.843 3.388 20 0 CGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@H]([NH3+])CC3)ccc2O1 ZINC001205110343 812871687 /nfs/dbraw/zinc/87/16/87/812871687.db2.gz SPBRZFPXOQLGGH-INIZCTEOSA-N 2 1 288.435 3.103 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cnc1-c1ccccc1 ZINC001205124255 812875796 /nfs/dbraw/zinc/87/57/96/812875796.db2.gz MNPXJCLHXWLRLO-SFHVURJKSA-N 2 1 295.430 3.370 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123406 812875949 /nfs/dbraw/zinc/87/59/49/812875949.db2.gz ATKIXEHLRILWLV-KRWDZBQOSA-N 2 1 284.403 3.162 20 0 CGADMP [NH3+][C@H]1CCC[N@H+](Cc2cnc3ccccc3c2Cl)CC1 ZINC001205124064 812876276 /nfs/dbraw/zinc/87/62/76/812876276.db2.gz JVKGUDFJWDEPMK-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2Cl)CC1 ZINC001205124064 812876286 /nfs/dbraw/zinc/87/62/86/812876286.db2.gz JVKGUDFJWDEPMK-ZDUSSCGKSA-N 2 1 289.810 3.201 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC1 ZINC001205123914 812876865 /nfs/dbraw/zinc/87/68/65/812876865.db2.gz HCFJCIBCCUJZIH-GOSISDBHSA-N 2 1 296.414 3.372 20 0 CGADMP Cc1cccc2c1CC[N@@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC001205164642 812894627 /nfs/dbraw/zinc/89/46/27/812894627.db2.gz KGJLYIHHQUTXKV-UHFFFAOYSA-N 2 1 266.388 3.012 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2coc3ccc(F)cc23)CC1 ZINC001205274535 812926144 /nfs/dbraw/zinc/92/61/44/812926144.db2.gz XLIZJSDXTPCBSK-INIZCTEOSA-N 2 1 276.355 3.275 20 0 CGADMP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205281785 812930514 /nfs/dbraw/zinc/93/05/14/812930514.db2.gz XYGCYPPSESMFRU-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205281785 812930521 /nfs/dbraw/zinc/93/05/21/812930521.db2.gz XYGCYPPSESMFRU-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC1 ZINC001205289521 812933387 /nfs/dbraw/zinc/93/33/87/812933387.db2.gz YMVXCJFZXDVZFZ-IBGZPJMESA-N 2 1 295.430 3.452 20 0 CGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC001205295743 812935913 /nfs/dbraw/zinc/93/59/13/812935913.db2.gz BJVPNCCBUSAVFM-UKRRQHHQSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC001205295956 812936270 /nfs/dbraw/zinc/93/62/70/812936270.db2.gz DDVANNMJNKQDJI-JKSUJKDBSA-N 2 1 274.452 3.271 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC001205303353 812940817 /nfs/dbraw/zinc/94/08/17/812940817.db2.gz CUUNTIRXYASJOO-GOEBONIOSA-N 2 1 284.403 3.363 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccsc3c2)C[C@@H]1C[NH3+] ZINC001205303824 812941985 /nfs/dbraw/zinc/94/19/85/812941985.db2.gz LCLGSWZQGNBDEV-DOMZBBRYSA-N 2 1 274.433 3.318 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205315334 812948304 /nfs/dbraw/zinc/94/83/04/812948304.db2.gz DWAKWSADRALGRN-BXUZGUMPSA-N 2 1 266.816 3.065 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(C)c1Cl ZINC001205315786 812949160 /nfs/dbraw/zinc/94/91/60/812949160.db2.gz GYLLOMOXXHPYEU-NHYWBVRUSA-N 2 1 280.843 3.374 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[NH2+]CC[C@H]2C)c(C)c1C ZINC001205331021 812958840 /nfs/dbraw/zinc/95/88/40/812958840.db2.gz CPPPZPGFTOJTMN-GFCCVEGCSA-N 2 1 274.452 3.413 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC001205535035 812996449 /nfs/dbraw/zinc/99/64/49/812996449.db2.gz BIMMODSDGDYNRS-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC001205546363 813000588 /nfs/dbraw/zinc/00/05/88/813000588.db2.gz UJQNTJJPKAGVMO-GOSISDBHSA-N 2 1 286.394 3.493 20 0 CGADMP CSc1ccccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570552 813008611 /nfs/dbraw/zinc/00/86/11/813008611.db2.gz LNKKEUBNAADVDG-HNNXBMFYSA-N 2 1 282.428 3.061 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c1F ZINC001205616791 813025525 /nfs/dbraw/zinc/02/55/25/813025525.db2.gz GXMWCOBOTSOXKG-YPMHNXCESA-N 2 1 282.378 3.080 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205618799 813028086 /nfs/dbraw/zinc/02/80/86/813028086.db2.gz YWKUDGQXARMDKF-YPMHNXCESA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CC[C@@H]1C[NH3+] ZINC001205618101 813028641 /nfs/dbraw/zinc/02/86/41/813028641.db2.gz RKBWSIYLGKZQFO-ZIAGYGMSSA-N 2 1 277.456 3.119 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3occc3c2)CC[C@H]1C[NH3+] ZINC001205617870 813029029 /nfs/dbraw/zinc/02/90/29/813029029.db2.gz OSTRJCYMHHJRMM-BBRMVZONSA-N 2 1 272.392 3.240 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)ccc2n1 ZINC001205625999 813031828 /nfs/dbraw/zinc/03/18/28/813031828.db2.gz DOQRQJLOYYFOOH-KSSFIOAISA-N 2 1 297.446 3.350 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(F)c1F ZINC001205625206 813032834 /nfs/dbraw/zinc/03/28/34/813032834.db2.gz ACCGZIGSPFVUSK-RISCZKNCSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)CC[C@@H]1C[NH3+] ZINC001205627235 813033292 /nfs/dbraw/zinc/03/32/92/813033292.db2.gz OGHKPSXTKKCMRU-HUUCEWRRSA-N 2 1 283.419 3.042 20 0 CGADMP COc1c(Cl)cccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205629157 813034806 /nfs/dbraw/zinc/03/48/06/813034806.db2.gz XVJUCVFUZQXBJU-CHWSQXEVSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)c1 ZINC001205628277 813034820 /nfs/dbraw/zinc/03/48/20/813034820.db2.gz UNNJZHZEYZXHJM-KBPBESRZSA-N 2 1 280.843 3.455 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205627977 813035052 /nfs/dbraw/zinc/03/50/52/813035052.db2.gz TVLWZHNSFGOMNW-SWLSCSKDSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc3cccnc3s2)CC[C@@H]1C[NH3+] ZINC001205639328 813037739 /nfs/dbraw/zinc/03/77/39/813037739.db2.gz YYWQWQPRMOUSLX-GXTWGEPZSA-N 2 1 289.448 3.103 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC[C@H]1C[NH3+] ZINC001205639558 813038465 /nfs/dbraw/zinc/03/84/65/813038465.db2.gz ZXNTXBGYQYRBNW-MNOVXSKESA-N 2 1 290.329 3.105 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205653709 813043123 /nfs/dbraw/zinc/04/31/23/813043123.db2.gz UKQYDYXVKFUDTN-WMLDXEAASA-N 2 1 274.452 3.364 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205654566 813043615 /nfs/dbraw/zinc/04/36/15/813043615.db2.gz XJFVBGHUQNCLJG-DOMZBBRYSA-N 2 1 278.415 3.249 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCC[C@H]1C ZINC001205696273 813054169 /nfs/dbraw/zinc/05/41/69/813054169.db2.gz FZTUXJWKLKOAAY-CVEARBPZSA-N 2 1 254.462 3.476 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205734993 813064450 /nfs/dbraw/zinc/06/44/50/813064450.db2.gz ITMAVVUYGHMQCB-MRXNPFEDSA-N 2 1 296.405 3.268 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(C)c1 ZINC001205805043 813085848 /nfs/dbraw/zinc/08/58/48/813085848.db2.gz POCHPYZJFRSZOM-LRDDRELGSA-N 2 1 260.425 3.171 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(C)c1 ZINC001205805043 813085856 /nfs/dbraw/zinc/08/58/56/813085856.db2.gz POCHPYZJFRSZOM-LRDDRELGSA-N 2 1 260.425 3.171 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205816719 813093191 /nfs/dbraw/zinc/09/31/91/813093191.db2.gz NYBYMRMBYKJQPH-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001205816719 813093196 /nfs/dbraw/zinc/09/31/96/813093196.db2.gz NYBYMRMBYKJQPH-KXBFYZLASA-N 2 1 295.430 3.308 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2C2CC2)C1 ZINC001205816343 813095419 /nfs/dbraw/zinc/09/54/19/813095419.db2.gz MBSWIBCGHPZLLP-CZUORRHYSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001205816343 813095429 /nfs/dbraw/zinc/09/54/29/813095429.db2.gz MBSWIBCGHPZLLP-CZUORRHYSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001205863193 813113207 /nfs/dbraw/zinc/11/32/07/813113207.db2.gz ITDUCGXHLSVDBM-QGZVFWFLSA-N 2 1 276.399 3.046 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205901151 813122968 /nfs/dbraw/zinc/12/29/68/813122968.db2.gz BIEZPIBJLPBJJG-MAUKXSAKSA-N 2 1 274.452 3.412 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c[nH]c21 ZINC001205902061 813124288 /nfs/dbraw/zinc/12/42/88/813124288.db2.gz HHPRXFUDWUEDED-KGLIPLIRSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cccc(Cl)c12 ZINC001205903048 813125101 /nfs/dbraw/zinc/12/51/01/813125101.db2.gz NFEANQQIIDYVJG-NEPJUHHUSA-N 2 1 291.826 3.381 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205904373 813126969 /nfs/dbraw/zinc/12/69/69/813126969.db2.gz URZXUCKKWLENRF-KBPBESRZSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912914 813129013 /nfs/dbraw/zinc/12/90/13/813129013.db2.gz DWQSVDGABYILOU-STQMWFEESA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cncc(-c2ccccc2)c1 ZINC001205912440 813129153 /nfs/dbraw/zinc/12/91/53/813129153.db2.gz AKCIQWJCBLEQPX-MAUKXSAKSA-N 2 1 295.430 3.308 20 0 CGADMP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Cl ZINC001205916011 813130746 /nfs/dbraw/zinc/13/07/46/813130746.db2.gz RKMGIGTTZCROOO-CHWSQXEVSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c12 ZINC001205916932 813132362 /nfs/dbraw/zinc/13/23/62/813132362.db2.gz WSRJIDUDQCPCMG-LSDHHAIUSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1OC(C)C ZINC001205916170 813133114 /nfs/dbraw/zinc/13/31/14/813133114.db2.gz SGMHDKUCEAPHHI-JKSUJKDBSA-N 2 1 290.451 3.341 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205917225 813133186 /nfs/dbraw/zinc/13/31/86/813133186.db2.gz XSEHEVDJGFSRTO-GDBMZVCRSA-N 2 1 260.425 3.117 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205923160 813136299 /nfs/dbraw/zinc/13/62/99/813136299.db2.gz JZCIJHYRDHRJQM-QWHCGFSZSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Cl)c1 ZINC001205923160 813136303 /nfs/dbraw/zinc/13/63/03/813136303.db2.gz JZCIJHYRDHRJQM-QWHCGFSZSA-N 2 1 296.842 3.298 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205939114 813141668 /nfs/dbraw/zinc/14/16/68/813141668.db2.gz NOTHKMHMRTVBIG-MRXNPFEDSA-N 2 1 290.451 3.404 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205939114 813141671 /nfs/dbraw/zinc/14/16/71/813141671.db2.gz NOTHKMHMRTVBIG-MRXNPFEDSA-N 2 1 290.451 3.404 20 0 CGADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC001205980772 813151207 /nfs/dbraw/zinc/15/12/07/813151207.db2.gz ACZBNNBUCLOANB-IIAWOOMASA-N 2 1 278.440 3.388 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205992001 813155360 /nfs/dbraw/zinc/15/53/60/813155360.db2.gz CTQPQLUSZLMVEQ-OCCSQVGLSA-N 2 1 266.816 3.147 20 0 CGADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205993178 813155641 /nfs/dbraw/zinc/15/56/41/813155641.db2.gz HLJBFLGQPJODDC-HIFRSBDPSA-N 2 1 285.435 3.283 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205996586 813158583 /nfs/dbraw/zinc/15/85/83/813158583.db2.gz XMKYMFBETQENJG-YOEHRIQHSA-N 2 1 260.425 3.056 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cc3cccnc3s2)CCC[C@H]1C[NH3+] ZINC001206026189 813170207 /nfs/dbraw/zinc/17/02/07/813170207.db2.gz QREFQTDHFDLAHX-OCCSQVGLSA-N 2 1 289.448 3.103 20 0 CGADMP Cc1c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc(F)c1F ZINC001206026228 813170294 /nfs/dbraw/zinc/17/02/94/813170294.db2.gz QYVABJJVELVEBK-YPMHNXCESA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCC[C@@H]1C ZINC001206110459 813203012 /nfs/dbraw/zinc/20/30/12/813203012.db2.gz XYPGKEJIDAOFNU-STQMWFEESA-N 2 1 278.465 3.262 20 0 CGADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1(C)C ZINC001206157357 813218454 /nfs/dbraw/zinc/21/84/54/813218454.db2.gz YCRHLEYBTKSQLP-ILXRZTDVSA-N 2 1 268.420 3.130 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1(C)C ZINC001206157357 813218457 /nfs/dbraw/zinc/21/84/57/813218457.db2.gz YCRHLEYBTKSQLP-ILXRZTDVSA-N 2 1 268.420 3.130 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1)c1ccccc1 ZINC001206157375 813218478 /nfs/dbraw/zinc/21/84/78/813218478.db2.gz YGYZVDCUXIKBKK-HZPDHXFCSA-N 2 1 278.415 3.116 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1)c1ccccc1 ZINC001206157375 813218482 /nfs/dbraw/zinc/21/84/82/813218482.db2.gz YGYZVDCUXIKBKK-HZPDHXFCSA-N 2 1 278.415 3.116 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001206292532 813275344 /nfs/dbraw/zinc/27/53/44/813275344.db2.gz COVSMXPRFOXTNB-GVDBMIGSSA-N 2 1 264.457 3.430 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206305391 813281487 /nfs/dbraw/zinc/28/14/87/813281487.db2.gz YFNJLPCPEWLLBX-GOSISDBHSA-N 2 1 290.451 3.425 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)cc1F ZINC001206319016 813286789 /nfs/dbraw/zinc/28/67/89/813286789.db2.gz XKQJPXNHIFVGQY-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP Cc1c(F)ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206317532 813286811 /nfs/dbraw/zinc/28/68/11/813286811.db2.gz GQGBMZUZADNAJW-INIZCTEOSA-N 2 1 282.378 3.224 20 0 CGADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206335991 813293631 /nfs/dbraw/zinc/29/36/31/813293631.db2.gz IUUULINQOKSMBE-QGZVFWFLSA-N 2 1 294.414 3.094 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206547592 813347279 /nfs/dbraw/zinc/34/72/79/813347279.db2.gz CUQBEEJJUAVJSP-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP Cn1ccc2ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc21 ZINC001206550116 813347873 /nfs/dbraw/zinc/34/78/73/813347873.db2.gz VKNGRSYUCSKABW-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP CCc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206564939 813355439 /nfs/dbraw/zinc/35/54/39/813355439.db2.gz RWQQNTFQYWMXKB-QGZVFWFLSA-N 2 1 260.425 3.200 20 0 CGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001206573484 813359975 /nfs/dbraw/zinc/35/99/75/813359975.db2.gz LSKALNKNENONFP-IBGZPJMESA-N 2 1 298.430 3.496 20 0 CGADMP Cc1cccc(CC[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206580872 813362254 /nfs/dbraw/zinc/36/22/54/813362254.db2.gz GIWUOUANIXHWNG-GOSISDBHSA-N 2 1 274.452 3.390 20 0 CGADMP COc1ccc(C)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589969 813365192 /nfs/dbraw/zinc/36/51/92/813365192.db2.gz JPTRJBVXRFGFPX-QGZVFWFLSA-N 2 1 290.451 3.356 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCCC[C@@H](C[NH3+])C2)C1(C)C ZINC001206606248 813372406 /nfs/dbraw/zinc/37/24/06/813372406.db2.gz IBKZYNURLBKXOQ-JKSUJKDBSA-N 2 1 264.457 3.430 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001206622477 813377680 /nfs/dbraw/zinc/37/76/80/813377680.db2.gz CMEVNDSHEHGPNQ-QGZVFWFLSA-N 2 1 295.430 3.309 20 0 CGADMP CCSc1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206646888 813386467 /nfs/dbraw/zinc/38/64/67/813386467.db2.gz DXKMXMQVQKRGHT-AWEZNQCLSA-N 2 1 278.465 3.359 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1cccc(Cl)c1 ZINC001206760304 813426544 /nfs/dbraw/zinc/42/65/44/813426544.db2.gz COLJUKLMVDBJCQ-HIFRSBDPSA-N 2 1 280.843 3.332 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206767789 813430761 /nfs/dbraw/zinc/43/07/61/813430761.db2.gz FFPUDNWMJPQNJR-RDJZCZTQSA-N 2 1 290.451 3.425 20 0 CGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1C(C)C ZINC001206769700 813432082 /nfs/dbraw/zinc/43/20/82/813432082.db2.gz PJFQKMLPSVOYRU-ZBFHGGJFSA-N 2 1 290.451 3.378 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206805751 813441625 /nfs/dbraw/zinc/44/16/25/813441625.db2.gz DFKLCXKDAVICPN-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206805750 813442388 /nfs/dbraw/zinc/44/23/88/813442388.db2.gz DFKLCXKDAVICPN-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207275191 813530800 /nfs/dbraw/zinc/53/08/00/813530800.db2.gz IIBRREHVHCMBHP-IXDOHACOSA-N 2 1 276.468 3.252 20 0 CGADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207275191 813530803 /nfs/dbraw/zinc/53/08/03/813530803.db2.gz IIBRREHVHCMBHP-IXDOHACOSA-N 2 1 276.468 3.252 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207281945 813534841 /nfs/dbraw/zinc/53/48/41/813534841.db2.gz KHCXCQSISKLTMG-UHFFFAOYSA-N 2 1 262.441 3.486 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccs1 ZINC001207487809 813573962 /nfs/dbraw/zinc/57/39/62/813573962.db2.gz SIIIHPKMEMMHJT-UHFFFAOYSA-N 2 1 266.454 3.302 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+](CCCC1CCCCC1)CC2 ZINC001207609273 813612453 /nfs/dbraw/zinc/61/24/53/813612453.db2.gz ROEKFWSLCSJAEU-UHFFFAOYSA-N 2 1 261.413 3.102 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+](CCCC1CCCCC1)CC2 ZINC001207609273 813612458 /nfs/dbraw/zinc/61/24/58/813612458.db2.gz ROEKFWSLCSJAEU-UHFFFAOYSA-N 2 1 261.413 3.102 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615076 813614990 /nfs/dbraw/zinc/61/49/90/813614990.db2.gz MZOCRGVFKJCIFJ-ROUUACIJSA-N 2 1 272.436 3.035 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)CC1(C)CC[NH+](C)CC1 ZINC001208109018 813694220 /nfs/dbraw/zinc/69/42/20/813694220.db2.gz JNVOVHVVAUNLCU-UHFFFAOYSA-N 2 1 290.451 3.249 20 0 CGADMP C[NH+](C)CC1(C[N@H+](C)Cc2ccc(F)cc2)CCCC1 ZINC001208182487 813734240 /nfs/dbraw/zinc/73/42/40/813734240.db2.gz XEXPQCNLDXDJAH-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP C[NH+](C)CC1(C[N@@H+](C)Cc2ccc(F)cc2)CCCC1 ZINC001208182487 813734242 /nfs/dbraw/zinc/73/42/42/813734242.db2.gz XEXPQCNLDXDJAH-UHFFFAOYSA-N 2 1 278.415 3.380 20 0 CGADMP C[NH+](C)CC1(C[N@@H+]2CCc3sccc3C2)CCCC1 ZINC001208183842 813734984 /nfs/dbraw/zinc/73/49/84/813734984.db2.gz IADWRNGELYMFIH-UHFFFAOYSA-N 2 1 278.465 3.228 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCc3sccc3C2)CCCC1 ZINC001208183842 813734986 /nfs/dbraw/zinc/73/49/86/813734986.db2.gz IADWRNGELYMFIH-UHFFFAOYSA-N 2 1 278.465 3.228 20 0 CGADMP CC[N@H+](Cc1cccnc1)CC1(C[NH+](C)C)CCCC1 ZINC001208190630 813737384 /nfs/dbraw/zinc/73/73/84/813737384.db2.gz HHDJNYYDONANJW-UHFFFAOYSA-N 2 1 275.440 3.026 20 0 CGADMP CC[N@@H+](Cc1cccnc1)CC1(C[NH+](C)C)CCCC1 ZINC001208190630 813737391 /nfs/dbraw/zinc/73/73/91/813737391.db2.gz HHDJNYYDONANJW-UHFFFAOYSA-N 2 1 275.440 3.026 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC23CCCCC3)CC1 ZINC001208592844 813768940 /nfs/dbraw/zinc/76/89/40/813768940.db2.gz LJFSYBZMHGMABB-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)CC1 ZINC001208592978 813769443 /nfs/dbraw/zinc/76/94/43/813769443.db2.gz NRKFOOMCIJFMAQ-GJZGRUSLSA-N 2 1 252.446 3.086 20 0 CGADMP CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208608621 813774863 /nfs/dbraw/zinc/77/48/63/813774863.db2.gz QYYNTJYFYBLDQO-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208608621 813774867 /nfs/dbraw/zinc/77/48/67/813774867.db2.gz QYYNTJYFYBLDQO-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208608621 813774874 /nfs/dbraw/zinc/77/48/74/813774874.db2.gz QYYNTJYFYBLDQO-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP CCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208608621 813774880 /nfs/dbraw/zinc/77/48/80/813774880.db2.gz QYYNTJYFYBLDQO-QGZVFWFLSA-N 2 1 260.425 3.240 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3cccs3)CC2)C1 ZINC001208608311 813775213 /nfs/dbraw/zinc/77/52/13/813775213.db2.gz QBFCEFUWCZFHTI-AWEZNQCLSA-N 2 1 278.465 3.269 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CC2(C)CCCCC2)CC1 ZINC001208899032 813890061 /nfs/dbraw/zinc/89/00/61/813890061.db2.gz LMHYXUHSCAPAMU-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CC2(C)CCCCC2)CC1 ZINC001208899032 813890070 /nfs/dbraw/zinc/89/00/70/813890070.db2.gz LMHYXUHSCAPAMU-UHFFFAOYSA-N 2 1 252.446 3.373 20 0 CGADMP CCCC[NH+]1CCC([N@H+](C)C[C@H](C)C(F)(F)F)CC1 ZINC001208902025 813890596 /nfs/dbraw/zinc/89/05/96/813890596.db2.gz PYICNSATWNMUPG-LBPRGKRZSA-N 2 1 280.378 3.381 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](C)C(F)(F)F)CC1 ZINC001208902025 813890605 /nfs/dbraw/zinc/89/06/05/813890605.db2.gz PYICNSATWNMUPG-LBPRGKRZSA-N 2 1 280.378 3.381 20 0 CGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC4(CCC4)C3)C2)cc1 ZINC001208930438 813903666 /nfs/dbraw/zinc/90/36/66/813903666.db2.gz BEVYQNJDSNMHFA-GOSISDBHSA-N 2 1 284.447 3.385 20 0 CGADMP C[C@@]1(F)CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940534 813905639 /nfs/dbraw/zinc/90/56/39/813905639.db2.gz DEDKLUATOIFXMH-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@]1(F)CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940534 813905643 /nfs/dbraw/zinc/90/56/43/813905643.db2.gz DEDKLUATOIFXMH-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@]1(F)CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940534 813905649 /nfs/dbraw/zinc/90/56/49/813905649.db2.gz DEDKLUATOIFXMH-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@]1(F)CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940534 813905654 /nfs/dbraw/zinc/90/56/54/813905654.db2.gz DEDKLUATOIFXMH-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208945927 813908763 /nfs/dbraw/zinc/90/87/63/813908763.db2.gz FPMXWXZDUWCNDT-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208945927 813908766 /nfs/dbraw/zinc/90/87/66/813908766.db2.gz FPMXWXZDUWCNDT-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208945927 813908768 /nfs/dbraw/zinc/90/87/68/813908768.db2.gz FPMXWXZDUWCNDT-ROUUACIJSA-N 2 1 290.426 3.333 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(CCC4)C3)C2)cc1 ZINC001208952817 813910015 /nfs/dbraw/zinc/91/00/15/813910015.db2.gz MCPSSKOODSOTSP-SFHVURJKSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC4(CCC4)C3)C2)cc1 ZINC001208952817 813910021 /nfs/dbraw/zinc/91/00/21/813910021.db2.gz MCPSSKOODSOTSP-SFHVURJKSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC4(CCC4)C3)C2)cc1 ZINC001208952817 813910026 /nfs/dbraw/zinc/91/00/26/813910026.db2.gz MCPSSKOODSOTSP-SFHVURJKSA-N 2 1 284.447 3.385 20 0 CGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4C[C@@H]4C)C[C@H]3C2)cc1 ZINC001209411821 814019980 /nfs/dbraw/zinc/01/99/80/814019980.db2.gz CQCOYIYIPMKHKI-DSLXNQLJSA-N 2 1 284.447 3.015 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4C[C@@H]4C)C[C@H]3C2)cc1 ZINC001209411821 814019984 /nfs/dbraw/zinc/01/99/84/814019984.db2.gz CQCOYIYIPMKHKI-DSLXNQLJSA-N 2 1 284.447 3.015 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4C[C@@H]4C)C[C@H]3C2)cc1 ZINC001209411821 814019991 /nfs/dbraw/zinc/01/99/91/814019991.db2.gz CQCOYIYIPMKHKI-DSLXNQLJSA-N 2 1 284.447 3.015 20 0 CGADMP C[C@H]1C[C@@H]1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209422848 814025002 /nfs/dbraw/zinc/02/50/02/814025002.db2.gz YUINEPFXBXHUJL-MAUKXSAKSA-N 2 1 284.447 3.165 20 0 CGADMP C[N@H+]1CCc2c(F)cc(-c3ccc4c(c3)C[NH2+]C4)cc2C1 ZINC001242677697 823096952 /nfs/dbraw/zinc/09/69/52/823096952.db2.gz OJTUFHGBMDXCFL-UHFFFAOYSA-N 2 1 282.362 3.084 20 0 CGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc2[nH]cc(Cl)c21 ZINC001209653514 814106100 /nfs/dbraw/zinc/10/61/00/814106100.db2.gz XPKXXIMHJCPZPT-UHFFFAOYSA-N 2 1 279.815 3.205 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2[nH]cc(Cl)c21 ZINC001209653514 814106106 /nfs/dbraw/zinc/10/61/06/814106106.db2.gz XPKXXIMHJCPZPT-UHFFFAOYSA-N 2 1 279.815 3.205 20 0 CGADMP Nc1[nH]c2cc(C3=CC[C@@H]([NH+]4CCCC4)CC3)ccc2[nH+]1 ZINC001242691159 823101566 /nfs/dbraw/zinc/10/15/66/823101566.db2.gz BCJQQWUGTZTXLG-CQSZACIVSA-N 2 1 282.391 3.177 20 0 CGADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CCCCC2)CC1 ZINC001209727275 814122663 /nfs/dbraw/zinc/12/26/63/814122663.db2.gz LFYVMDMIOUZFMY-UHFFFAOYSA-N 2 1 259.397 3.040 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC001210475379 814478811 /nfs/dbraw/zinc/47/88/11/814478811.db2.gz MPGHKXUHGFIAJL-INWMFGNUSA-N 2 1 278.827 3.127 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC001222141404 816357711 /nfs/dbraw/zinc/35/77/11/816357711.db2.gz KLGIIDDLLXFWCA-WMLDXEAASA-N 2 1 276.424 3.157 20 0 CGADMP Fc1ccc2occ(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222148378 816359420 /nfs/dbraw/zinc/35/94/20/816359420.db2.gz NCMUNUSCDCOWDZ-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP Fc1ccc2occ(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001222148378 816359427 /nfs/dbraw/zinc/35/94/27/816359427.db2.gz NCMUNUSCDCOWDZ-QGZVFWFLSA-N 2 1 288.366 3.147 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001222142226 816359518 /nfs/dbraw/zinc/35/95/18/816359518.db2.gz YAWSFWYINGISSZ-LJQANCHMSA-N 2 1 286.463 3.430 20 0 CGADMP Cc1ncccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160058 816364619 /nfs/dbraw/zinc/36/46/19/816364619.db2.gz CIPWJTBGBZTDQK-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)[nH]1 ZINC001222160764 816366561 /nfs/dbraw/zinc/36/65/61/816366561.db2.gz INCJEGDLUMMUNP-GOSISDBHSA-N 2 1 289.467 3.377 20 0 CGADMP Cc1ccncc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167782 816368386 /nfs/dbraw/zinc/36/83/86/816368386.db2.gz RDLONJVFFUDOOR-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Oc1ccc2cc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001222242520 816384907 /nfs/dbraw/zinc/38/49/07/816384907.db2.gz DDSTZGUOFNZBHR-LJQANCHMSA-N 2 1 296.414 3.263 20 0 CGADMP Oc1ccc2cc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001222242520 816384915 /nfs/dbraw/zinc/38/49/15/816384915.db2.gz DDSTZGUOFNZBHR-LJQANCHMSA-N 2 1 296.414 3.263 20 0 CGADMP FC1(F)CCC(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001222259737 816391312 /nfs/dbraw/zinc/39/13/12/816391312.db2.gz YBPCATHRYOHRAL-OAHLLOKOSA-N 2 1 286.410 3.278 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222310864 816405105 /nfs/dbraw/zinc/40/51/05/816405105.db2.gz WXDRASRRBREVON-GOSISDBHSA-N 2 1 288.435 3.193 20 0 CGADMP CCOc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316824 816407051 /nfs/dbraw/zinc/40/70/51/816407051.db2.gz YYKKIMLYVDUGQA-GOSISDBHSA-N 2 1 288.435 3.193 20 0 CGADMP Oc1cc(Cl)cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316769 816407079 /nfs/dbraw/zinc/40/70/79/816407079.db2.gz YGWWYVPFZHCHGN-MRXNPFEDSA-N 2 1 294.826 3.154 20 0 CGADMP Oc1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316769 816407080 /nfs/dbraw/zinc/40/70/80/816407080.db2.gz YGWWYVPFZHCHGN-MRXNPFEDSA-N 2 1 294.826 3.154 20 0 CGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344881 816414348 /nfs/dbraw/zinc/41/43/48/816414348.db2.gz FQTPXEBTVBQDMJ-KRWDZBQOSA-N 2 1 258.409 3.021 20 0 CGADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344881 816414350 /nfs/dbraw/zinc/41/43/50/816414350.db2.gz FQTPXEBTVBQDMJ-KRWDZBQOSA-N 2 1 258.409 3.021 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)c1ccccc1 ZINC001222385755 816427114 /nfs/dbraw/zinc/42/71/14/816427114.db2.gz VXPPFVXNMLOKNF-WMZOPIPTSA-N 2 1 272.436 3.398 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)c1ccccc1 ZINC001222385755 816427121 /nfs/dbraw/zinc/42/71/21/816427121.db2.gz VXPPFVXNMLOKNF-WMZOPIPTSA-N 2 1 272.436 3.398 20 0 CGADMP c1cc2cccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c2[nH]1 ZINC001222391138 816429660 /nfs/dbraw/zinc/42/96/60/816429660.db2.gz YCVWBJJIIJFIDP-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP c1cc2cccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c2[nH]1 ZINC001222391138 816429664 /nfs/dbraw/zinc/42/96/64/816429664.db2.gz YCVWBJJIIJFIDP-GOSISDBHSA-N 2 1 283.419 3.276 20 0 CGADMP c1ccc(CCCC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420146 816439585 /nfs/dbraw/zinc/43/95/85/816439585.db2.gz ATTHAGRSMJUHBT-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420146 816439586 /nfs/dbraw/zinc/43/95/86/816439586.db2.gz ATTHAGRSMJUHBT-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc2c(c1)CCCC21CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC001222615431 816478785 /nfs/dbraw/zinc/47/87/85/816478785.db2.gz PYUMCCDZZLRYAB-SFHVURJKSA-N 2 1 298.474 3.499 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)C1(C)C ZINC001222615936 816478840 /nfs/dbraw/zinc/47/88/40/816478840.db2.gz UIIIRWXCYMTQSI-ARFHVFGLSA-N 2 1 262.441 3.053 20 0 CGADMP Cc1sccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222616019 816478886 /nfs/dbraw/zinc/47/88/86/816478886.db2.gz VPPCGRKJZHVZEF-QGZVFWFLSA-N 2 1 298.455 3.246 20 0 CGADMP CCn1ccc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc21 ZINC001222623993 816482532 /nfs/dbraw/zinc/48/25/32/816482532.db2.gz RVLFKLDUXXSKAQ-HDICACEKSA-N 2 1 297.446 3.093 20 0 CGADMP CCCC[NH+](CCCC)CCCO[C@@H]1CC[N@@H+](CC)C1 ZINC001224756119 816873612 /nfs/dbraw/zinc/87/36/12/816873612.db2.gz VPBVMLFRYFPZSO-QGZVFWFLSA-N 2 1 284.488 3.390 20 0 CGADMP CCc1ccc(CN2CCC([N@@H+](C)C3CC3)CC2)s1 ZINC001231503209 818115968 /nfs/dbraw/zinc/11/59/68/818115968.db2.gz STRTXEYMWAOOOH-UHFFFAOYSA-N 2 1 278.465 3.369 20 0 CGADMP C[N@@H+](CCOc1ccccc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232013871 818234066 /nfs/dbraw/zinc/23/40/66/818234066.db2.gz HJALOFFQDKAGCX-UHFFFAOYSA-N 2 1 281.359 3.074 20 0 CGADMP C[NH+](C)C1CC[NH+](Cc2cccc3c2CCCC3)CC1 ZINC001232634655 818406917 /nfs/dbraw/zinc/40/69/17/818406917.db2.gz REUJXWAHDHVDEJ-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2ccccc2-n2cccc2)CC1 ZINC001232910360 818471983 /nfs/dbraw/zinc/47/19/83/818471983.db2.gz JQDOHXMLIQZWGH-UHFFFAOYSA-N 2 1 297.446 3.393 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2-n2cccc2)CC1 ZINC001232910360 818471993 /nfs/dbraw/zinc/47/19/93/818471993.db2.gz JQDOHXMLIQZWGH-UHFFFAOYSA-N 2 1 297.446 3.393 20 0 CGADMP Cc1ccc(Cl)cc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001233250382 818553964 /nfs/dbraw/zinc/55/39/64/818553964.db2.gz ILZOFHONEHEDAQ-INIZCTEOSA-N 2 1 278.827 3.176 20 0 CGADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)sn1 ZINC001233312139 818573805 /nfs/dbraw/zinc/57/38/05/818573805.db2.gz ZPOHMIPGPWLRAY-UHFFFAOYSA-N 2 1 281.469 3.004 20 0 CGADMP c1cc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2s1 ZINC001234997749 818971559 /nfs/dbraw/zinc/97/15/59/818971559.db2.gz GCQOKFCNVSZFMV-KRWDZBQOSA-N 2 1 286.444 3.477 20 0 CGADMP c1cc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2s1 ZINC001234997749 818971567 /nfs/dbraw/zinc/97/15/67/818971567.db2.gz GCQOKFCNVSZFMV-KRWDZBQOSA-N 2 1 286.444 3.477 20 0 CGADMP CC(C)(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC001235017827 818980323 /nfs/dbraw/zinc/98/03/23/818980323.db2.gz PSEXHZRGRIILDK-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC001235017827 818980328 /nfs/dbraw/zinc/98/03/28/818980328.db2.gz PSEXHZRGRIILDK-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP Clc1cccc2[nH]cc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)c21 ZINC001235033071 818983993 /nfs/dbraw/zinc/98/39/93/818983993.db2.gz OJJCWFMAPJMASF-INIZCTEOSA-N 2 1 289.810 3.007 20 0 CGADMP Clc1cccc2[nH]cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c21 ZINC001235033071 818983998 /nfs/dbraw/zinc/98/39/98/818983998.db2.gz OJJCWFMAPJMASF-INIZCTEOSA-N 2 1 289.810 3.007 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001235034501 818984063 /nfs/dbraw/zinc/98/40/63/818984063.db2.gz ZMNNDIKISPHLPO-MRXNPFEDSA-N 2 1 278.465 3.276 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235031686 818984717 /nfs/dbraw/zinc/98/47/17/818984717.db2.gz NTKWVKNISQGABM-SWLSCSKDSA-N 2 1 272.417 3.003 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235031686 818984723 /nfs/dbraw/zinc/98/47/23/818984723.db2.gz NTKWVKNISQGABM-SWLSCSKDSA-N 2 1 272.417 3.003 20 0 CGADMP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1C ZINC001235047783 818992106 /nfs/dbraw/zinc/99/21/06/818992106.db2.gz WLGACUHUVRABFJ-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001235093137 819000119 /nfs/dbraw/zinc/00/01/19/819000119.db2.gz PPHDIPKJHKNBDH-HZPDHXFCSA-N 2 1 262.441 3.054 20 0 CGADMP CC1=CC[C@@H](CC[N@H+]2CCC23CC[NH2+]CC3)C1(C)C ZINC001235103031 819003087 /nfs/dbraw/zinc/00/30/87/819003087.db2.gz QFWVILLQXBKNJH-HNNXBMFYSA-N 2 1 262.441 3.197 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110128 819005814 /nfs/dbraw/zinc/00/58/14/819005814.db2.gz JMOVGTDAQDLQFU-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CCCCc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC001235112130 819007199 /nfs/dbraw/zinc/00/71/99/819007199.db2.gz VZECZRQAFUDWCV-UHFFFAOYSA-N 2 1 272.436 3.357 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c2ccccc12 ZINC001235111580 819007795 /nfs/dbraw/zinc/00/77/95/819007795.db2.gz RFBOHFZWISUXCI-IBGZPJMESA-N 2 1 280.415 3.476 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c2ccccc12 ZINC001235111580 819007802 /nfs/dbraw/zinc/00/78/02/819007802.db2.gz RFBOHFZWISUXCI-IBGZPJMESA-N 2 1 280.415 3.476 20 0 CGADMP Fc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)cc1C1CC1 ZINC001235145911 819015641 /nfs/dbraw/zinc/01/56/41/819015641.db2.gz YCSHVNLAMRUPNH-UHFFFAOYSA-N 2 1 288.410 3.421 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1C1CC1 ZINC001235145911 819015643 /nfs/dbraw/zinc/01/56/43/819015643.db2.gz YCSHVNLAMRUPNH-UHFFFAOYSA-N 2 1 288.410 3.421 20 0 CGADMP Fc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235155188 819017614 /nfs/dbraw/zinc/01/76/14/819017614.db2.gz NLSHDIOMSHPLKZ-QGZVFWFLSA-N 2 1 294.389 3.319 20 0 CGADMP CNc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235153074 819018006 /nfs/dbraw/zinc/01/80/06/819018006.db2.gz DIVPIJHOKJYCPP-GOSISDBHSA-N 2 1 287.451 3.082 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235151684 819018701 /nfs/dbraw/zinc/01/87/01/819018701.db2.gz ADBGWFNNIINXAK-GOSISDBHSA-N 2 1 272.436 3.349 20 0 CGADMP FC1(F)CCC(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001235174594 819024107 /nfs/dbraw/zinc/02/41/07/819024107.db2.gz UOSZNBDGJPJBCD-OAHLLOKOSA-N 2 1 286.410 3.420 20 0 CGADMP FC1(F)CCC(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001235174594 819024113 /nfs/dbraw/zinc/02/41/13/819024113.db2.gz UOSZNBDGJPJBCD-OAHLLOKOSA-N 2 1 286.410 3.420 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC001235184888 819028122 /nfs/dbraw/zinc/02/81/22/819028122.db2.gz QXMLXJNGUDOYGS-KGLIPLIRSA-N 2 1 278.465 3.132 20 0 CGADMP C(C[N@@H+]1CCCCC12CC[NH2+]CC2)C1CCCC1 ZINC001235191073 819029043 /nfs/dbraw/zinc/02/90/43/819029043.db2.gz PLUFPEHYBNBHCW-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP C(C[N@H+]1CCCCC12CC[NH2+]CC2)C1CCCC1 ZINC001235191073 819029048 /nfs/dbraw/zinc/02/90/48/819029048.db2.gz PLUFPEHYBNBHCW-UHFFFAOYSA-N 2 1 250.430 3.175 20 0 CGADMP Cc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1F ZINC001235190400 819029730 /nfs/dbraw/zinc/02/97/30/819029730.db2.gz HCZNWVXFIQZHBS-UHFFFAOYSA-N 2 1 276.399 3.242 20 0 CGADMP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209802 819036761 /nfs/dbraw/zinc/03/67/61/819036761.db2.gz QQWZAGWPBWTNIW-WTTBNOFXSA-N 2 1 290.838 3.127 20 0 CGADMP Clc1ccc([C@H]2C[C@H]2C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209802 819036767 /nfs/dbraw/zinc/03/67/67/819036767.db2.gz QQWZAGWPBWTNIW-WTTBNOFXSA-N 2 1 290.838 3.127 20 0 CGADMP CCCCCCOc1ccc(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235210629 819037670 /nfs/dbraw/zinc/03/76/70/819037670.db2.gz PAAJFHCERXGDQV-PIIMJCKOSA-N 2 1 288.435 3.035 20 0 CGADMP CCCCCCOc1ccc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235210629 819037679 /nfs/dbraw/zinc/03/76/79/819037679.db2.gz PAAJFHCERXGDQV-PIIMJCKOSA-N 2 1 288.435 3.035 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235208943 819037883 /nfs/dbraw/zinc/03/78/83/819037883.db2.gz CCEULOIRGYWVRW-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235208943 819037886 /nfs/dbraw/zinc/03/78/86/819037886.db2.gz CCEULOIRGYWVRW-BBWFWOEESA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](C)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247929 819048665 /nfs/dbraw/zinc/04/86/65/819048665.db2.gz IKSARJFMMGEQAI-CGTJXYLNSA-N 2 1 272.436 3.254 20 0 CGADMP c1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254170 819050916 /nfs/dbraw/zinc/05/09/16/819050916.db2.gz BDKNZKMAFSBRFF-IEBWSBKVSA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254170 819050919 /nfs/dbraw/zinc/05/09/19/819050919.db2.gz BDKNZKMAFSBRFF-IEBWSBKVSA-N 2 1 278.399 3.147 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)c(C)c1C ZINC001235264498 819057746 /nfs/dbraw/zinc/05/77/46/819057746.db2.gz YJLFETYRYDTQCM-SJLPKXTDSA-N 2 1 272.436 3.022 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)c(C)c1C ZINC001235264498 819057753 /nfs/dbraw/zinc/05/77/53/819057753.db2.gz YJLFETYRYDTQCM-SJLPKXTDSA-N 2 1 272.436 3.022 20 0 CGADMP Fc1cccc2c(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cccc12 ZINC001235271745 819059584 /nfs/dbraw/zinc/05/95/84/819059584.db2.gz OUJOQFZDIBKTQI-KBXCAEBGSA-N 2 1 284.378 3.163 20 0 CGADMP Fc1cccc2c(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cccc12 ZINC001235271745 819059590 /nfs/dbraw/zinc/05/95/90/819059590.db2.gz OUJOQFZDIBKTQI-KBXCAEBGSA-N 2 1 284.378 3.163 20 0 CGADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)c2)cc1 ZINC001235340572 819071601 /nfs/dbraw/zinc/07/16/01/819071601.db2.gz KQHLWKIKHPEVDG-LJQANCHMSA-N 2 1 292.426 3.395 20 0 CGADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](CC2CCC2)CC3)cc1 ZINC001235362809 819080405 /nfs/dbraw/zinc/08/04/05/819080405.db2.gz NVKCPVORPRLNPT-RBUKOAKNSA-N 2 1 284.447 3.040 20 0 CGADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCC1CCCCC1)C2 ZINC001235405464 819087465 /nfs/dbraw/zinc/08/74/65/819087465.db2.gz PAEFYELEXMDTCH-SJORKVTESA-N 2 1 282.447 3.370 20 0 CGADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](CCCC1CCCCC1)C2 ZINC001235405463 819087761 /nfs/dbraw/zinc/08/77/61/819087761.db2.gz PAEFYELEXMDTCH-IRXDYDNUSA-N 2 1 282.447 3.370 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235424810 819092428 /nfs/dbraw/zinc/09/24/28/819092428.db2.gz JXOXMZNOFVOUFL-GJZGRUSLSA-N 2 1 278.465 3.268 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1CCC2 ZINC001235427430 819094594 /nfs/dbraw/zinc/09/45/94/819094594.db2.gz RZADRJXTCZMBRR-PMACEKPBSA-N 2 1 298.474 3.387 20 0 CGADMP Fc1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235429529 819094974 /nfs/dbraw/zinc/09/49/74/819094974.db2.gz ZCFOYDPMQVBWGD-DLBZAZTESA-N 2 1 290.426 3.080 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c(C)c1Cl ZINC001235433316 819095878 /nfs/dbraw/zinc/09/58/78/819095878.db2.gz SRUMUFYXAZWLEQ-UHFFFAOYSA-N 2 1 280.843 3.388 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c(F)c1 ZINC001235433336 819096492 /nfs/dbraw/zinc/09/64/92/819096492.db2.gz TUTUAOUNXQOSKW-UHFFFAOYSA-N 2 1 294.414 3.044 20 0 CGADMP Cc1cccc(C[N@H+](C)CCC[NH3+])c1OCc1ccccc1 ZINC001235435188 819098431 /nfs/dbraw/zinc/09/84/31/819098431.db2.gz BYSMMMNMBWZEPB-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP Cc1cccc(C[N@@H+](C)CCC[NH3+])c1OCc1ccccc1 ZINC001235435188 819098434 /nfs/dbraw/zinc/09/84/34/819098434.db2.gz BYSMMMNMBWZEPB-UHFFFAOYSA-N 2 1 298.430 3.355 20 0 CGADMP Fc1ccccc1[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001235680646 819140371 /nfs/dbraw/zinc/14/03/71/819140371.db2.gz VOBXFZYRBMUNQY-WMLDXEAASA-N 2 1 276.399 3.352 20 0 CGADMP c1cncc([C@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)c1 ZINC001235714871 819150208 /nfs/dbraw/zinc/15/02/08/819150208.db2.gz LYXUMQSCMKGEEK-KRWDZBQOSA-N 2 1 287.451 3.183 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235716409 819150627 /nfs/dbraw/zinc/15/06/27/819150627.db2.gz AOHKKKPVGYJDKO-UHFFFAOYSA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH2+]C1CC[NH+](Cc2ccc3cc(OC)ccc3c2)CC1 ZINC001235725809 819153278 /nfs/dbraw/zinc/15/32/78/819153278.db2.gz OVSLCPBANVJIGV-UHFFFAOYSA-N 2 1 298.430 3.422 20 0 CGADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001235727630 819154842 /nfs/dbraw/zinc/15/48/42/819154842.db2.gz UZPJLTAZRIZWLM-MRXNPFEDSA-N 2 1 296.389 3.418 20 0 CGADMP CCc1cc(C[N@H+](CC)C2CC[NH2+]CC2)ccc1Cl ZINC001235764454 819164023 /nfs/dbraw/zinc/16/40/23/819164023.db2.gz DNMVREOBCBLIGG-UHFFFAOYSA-N 2 1 280.843 3.476 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841401 819183812 /nfs/dbraw/zinc/18/38/12/819183812.db2.gz FIJZAZJSZYUHEK-CVEARBPZSA-N 2 1 252.446 3.300 20 0 CGADMP CCCCCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235842600 819185129 /nfs/dbraw/zinc/18/51/29/819185129.db2.gz POXCYYQMNKFXHX-KRWDZBQOSA-N 2 1 290.451 3.297 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)c2ccccc12 ZINC001235892074 819200177 /nfs/dbraw/zinc/20/01/77/819200177.db2.gz LJKZDWUXVSLYGY-GOEBONIOSA-N 2 1 268.404 3.460 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)c2ccccc12 ZINC001235892074 819200185 /nfs/dbraw/zinc/20/01/85/819200185.db2.gz LJKZDWUXVSLYGY-GOEBONIOSA-N 2 1 268.404 3.460 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001235893969 819202893 /nfs/dbraw/zinc/20/28/93/819202893.db2.gz YVIYXPJOXOAYSC-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCCc1cccc(Cl)c1 ZINC001235893969 819202898 /nfs/dbraw/zinc/20/28/98/819202898.db2.gz YVIYXPJOXOAYSC-IUODEOHRSA-N 2 1 266.816 3.084 20 0 CGADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925096 819223427 /nfs/dbraw/zinc/22/34/27/819223427.db2.gz ABENQUVLRDDOQS-LBPRGKRZSA-N 2 1 297.240 3.071 20 0 CGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925096 819223434 /nfs/dbraw/zinc/22/34/34/819223434.db2.gz ABENQUVLRDDOQS-LBPRGKRZSA-N 2 1 297.240 3.071 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235925150 819223522 /nfs/dbraw/zinc/22/35/22/819223522.db2.gz DHCWOMGSVDABMC-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235934610 819231384 /nfs/dbraw/zinc/23/13/84/819231384.db2.gz BWJUYHKXMUXKNB-UONOGXRCSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235934610 819231389 /nfs/dbraw/zinc/23/13/89/819231389.db2.gz BWJUYHKXMUXKNB-UONOGXRCSA-N 2 1 298.352 3.055 20 0 CGADMP c1csc(-c2ccccc2C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235939307 819234312 /nfs/dbraw/zinc/23/43/12/819234312.db2.gz OXCNSUFEGDBTCF-ZBFHGGJFSA-N 2 1 298.455 3.456 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001235949270 819239666 /nfs/dbraw/zinc/23/96/66/819239666.db2.gz BNEAWASCSWIXCM-RBUKOAKNSA-N 2 1 286.463 3.459 20 0 CGADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001235949270 819239669 /nfs/dbraw/zinc/23/96/69/819239669.db2.gz BNEAWASCSWIXCM-RBUKOAKNSA-N 2 1 286.463 3.459 20 0 CGADMP C[N@H+](Cc1cc2ccccc2s1)C[C@H]1CCC[NH2+]C1 ZINC001235951958 819241068 /nfs/dbraw/zinc/24/10/68/819241068.db2.gz WJYAEOIYQIJNCS-ZDUSSCGKSA-N 2 1 274.433 3.333 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c2ccccc12 ZINC001235958410 819246000 /nfs/dbraw/zinc/24/60/00/819246000.db2.gz DRXVNRRSMQWTFY-HGKCTWBKSA-N 2 1 280.415 3.317 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)C/C=C/c1ccccc1 ZINC001235960242 819247527 /nfs/dbraw/zinc/24/75/27/819247527.db2.gz QFQMPNGDBJETGN-IVRLUWICSA-N 2 1 294.389 3.122 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001235960242 819247531 /nfs/dbraw/zinc/24/75/31/819247531.db2.gz QFQMPNGDBJETGN-IVRLUWICSA-N 2 1 294.389 3.122 20 0 CGADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958895 819248290 /nfs/dbraw/zinc/24/82/90/819248290.db2.gz LLSXEJGVDUDDJV-WCXIOVBPSA-N 2 1 264.457 3.428 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235976649 819257368 /nfs/dbraw/zinc/25/73/68/819257368.db2.gz BHDZWMMIEPDZIK-MYIWKSEUSA-N 2 1 250.430 3.326 20 0 CGADMP C[N@@H+](CCC1C[NH2+]C1)C1CCC(C(C)(C)C)CC1 ZINC001236008406 819272739 /nfs/dbraw/zinc/27/27/39/819272739.db2.gz KQQWOOUSNADHHX-UHFFFAOYSA-N 2 1 252.446 3.133 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC(C(C)(C)C)CC1 ZINC001236007411 819273058 /nfs/dbraw/zinc/27/30/58/819273058.db2.gz BFIPOOJYQYXOBI-NFOMZHRRSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001236045051 819281777 /nfs/dbraw/zinc/28/17/77/819281777.db2.gz RVUGKJUXEXYZKO-OYNZBZHQSA-N 2 1 278.827 3.113 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001236045051 819281782 /nfs/dbraw/zinc/28/17/82/819281782.db2.gz RVUGKJUXEXYZKO-OYNZBZHQSA-N 2 1 278.827 3.113 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236046455 819284063 /nfs/dbraw/zinc/28/40/63/819284063.db2.gz GQRAWUXJDLYJDJ-AAEUAGOBSA-N 2 1 274.433 3.379 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236046455 819284069 /nfs/dbraw/zinc/28/40/69/819284069.db2.gz GQRAWUXJDLYJDJ-AAEUAGOBSA-N 2 1 274.433 3.379 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)c2cccc3ccccc32)C1 ZINC001236065660 819296770 /nfs/dbraw/zinc/29/67/70/819296770.db2.gz CFSHXCCQRBMYES-HZPDHXFCSA-N 2 1 282.431 3.485 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236066998 819298011 /nfs/dbraw/zinc/29/80/11/819298011.db2.gz MHGVAPHWQDDGRD-YIEVGGLXSA-N 2 1 252.446 3.444 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H](C)CCC=C(C)C)C1 ZINC001236065992 819298371 /nfs/dbraw/zinc/29/83/71/819298371.db2.gz FHNLJIIPIAAKQD-HOTGVXAUSA-N 2 1 252.446 3.300 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)ccc3ccccc32)C1 ZINC001236066818 819298704 /nfs/dbraw/zinc/29/87/04/819298704.db2.gz LCQQOUSEZBYRMI-HNNXBMFYSA-N 2 1 268.404 3.190 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(OC)c(C)c2C)CC1 ZINC001236212180 819374550 /nfs/dbraw/zinc/37/45/50/819374550.db2.gz FYCHELJNKKTIAL-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(C)cc(OC)cc2C)CC1 ZINC001236213762 819376947 /nfs/dbraw/zinc/37/69/47/819376947.db2.gz VFZCSPGRZGERGF-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213218 819377164 /nfs/dbraw/zinc/37/71/64/819377164.db2.gz AMKRQCKUOCFITC-ROUUACIJSA-N 2 1 283.419 3.179 20 0 CGADMP C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213218 819377171 /nfs/dbraw/zinc/37/71/71/819377171.db2.gz AMKRQCKUOCFITC-ROUUACIJSA-N 2 1 283.419 3.179 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216446 819380870 /nfs/dbraw/zinc/38/08/70/819380870.db2.gz KVHUUTPQJVYGIN-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP Cc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216446 819380879 /nfs/dbraw/zinc/38/08/79/819380879.db2.gz KVHUUTPQJVYGIN-HUUCEWRRSA-N 2 1 266.816 3.350 20 0 CGADMP C[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217886 819383871 /nfs/dbraw/zinc/38/38/71/819383871.db2.gz QPUVKVSDWWMZRG-OALUTQOASA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217886 819383874 /nfs/dbraw/zinc/38/38/74/819383874.db2.gz QPUVKVSDWWMZRG-OALUTQOASA-N 2 1 295.430 3.450 20 0 CGADMP Cc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)ccc1Cl ZINC001236226445 819390842 /nfs/dbraw/zinc/39/08/42/819390842.db2.gz LQVDSMOCBRKVHO-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1CCc1ccccc1 ZINC001236252110 819405017 /nfs/dbraw/zinc/40/50/17/819405017.db2.gz DNQZTCDUXLUERP-HXUWFJFHSA-N 2 1 294.442 3.395 20 0 CGADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1CCc1ccccc1 ZINC001236252110 819405020 /nfs/dbraw/zinc/40/50/20/819405020.db2.gz DNQZTCDUXLUERP-HXUWFJFHSA-N 2 1 294.442 3.395 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236314664 819421070 /nfs/dbraw/zinc/42/10/70/819421070.db2.gz RHUQHUFTKBQLLZ-CWRNSKLLSA-N 2 1 276.424 3.013 20 0 CGADMP C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367270 819436764 /nfs/dbraw/zinc/43/67/64/819436764.db2.gz LZEVLTTVCDZZFJ-HIFRSBDPSA-N 2 1 276.399 3.036 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367270 819436772 /nfs/dbraw/zinc/43/67/72/819436772.db2.gz LZEVLTTVCDZZFJ-HIFRSBDPSA-N 2 1 276.399 3.036 20 0 CGADMP C(C1CCC1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236369533 819438973 /nfs/dbraw/zinc/43/89/73/819438973.db2.gz ACUOJARNRATHEI-HNNXBMFYSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@@H](C)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400574 819451075 /nfs/dbraw/zinc/45/10/75/819451075.db2.gz FOZVBSMQLNMYPI-CQSZACIVSA-N 2 1 278.415 3.426 20 0 CGADMP CC[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236408811 819455533 /nfs/dbraw/zinc/45/55/33/819455533.db2.gz NVTDHXPVLABAHJ-MRXNPFEDSA-N 2 1 274.452 3.416 20 0 CGADMP CCCOc1cc(F)ccc1C[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236411598 819457638 /nfs/dbraw/zinc/45/76/38/819457638.db2.gz NKLNVQTZDRTTBA-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CCCOc1cc(F)ccc1C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236411598 819457641 /nfs/dbraw/zinc/45/76/41/819457641.db2.gz NKLNVQTZDRTTBA-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CCc1cc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)ccc1Cl ZINC001236410639 819457845 /nfs/dbraw/zinc/45/78/45/819457845.db2.gz ILYIQXWRQSPDTO-AWEZNQCLSA-N 2 1 280.843 3.334 20 0 CGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435070 819477953 /nfs/dbraw/zinc/47/79/53/819477953.db2.gz RFLBDOHBIIGXPZ-KRWDZBQOSA-N 2 1 272.367 3.021 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435070 819477956 /nfs/dbraw/zinc/47/79/56/819477956.db2.gz RFLBDOHBIIGXPZ-KRWDZBQOSA-N 2 1 272.367 3.021 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@](F)(C[NH3+])C2)c2ccccc12 ZINC001236436503 819478066 /nfs/dbraw/zinc/47/80/66/819478066.db2.gz YBIZSGNOGOCCQO-KRWDZBQOSA-N 2 1 272.367 3.021 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@](F)(C[NH3+])C2)c2ccccc12 ZINC001236436503 819478068 /nfs/dbraw/zinc/47/80/68/819478068.db2.gz YBIZSGNOGOCCQO-KRWDZBQOSA-N 2 1 272.367 3.021 20 0 CGADMP Cc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)ccc1O ZINC001236457150 819485161 /nfs/dbraw/zinc/48/51/61/819485161.db2.gz JVQPJLSDFKNFJL-UHFFFAOYSA-N 2 1 290.451 3.301 20 0 CGADMP CC(C)C[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552313 819534743 /nfs/dbraw/zinc/53/47/43/819534743.db2.gz UGKBTEJYWHGRRK-PNKHAZJDSA-N 2 1 276.468 3.427 20 0 CGADMP Nc1cccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236574865 819540585 /nfs/dbraw/zinc/54/05/85/819540585.db2.gz VWLWEAWIXXFLON-RZDIXWSQSA-N 2 1 287.451 3.283 20 0 CGADMP CCC(CC)[N@@H+](C[C@@H]1C[C@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783324 819593775 /nfs/dbraw/zinc/59/37/75/819593775.db2.gz SNLCKUOFWQBRHT-HLPPOEQASA-N 2 1 252.446 3.403 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3c(Cl)cccc3Cl)C[C@H]12 ZINC001236821946 819607706 /nfs/dbraw/zinc/60/77/06/819607706.db2.gz WTQZKNBTRVLEDX-IFUGULHKSA-N 2 1 299.245 3.205 20 0 CGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3c(Cl)cccc3Cl)C[C@H]12 ZINC001236821946 819607710 /nfs/dbraw/zinc/60/77/10/819607710.db2.gz WTQZKNBTRVLEDX-IFUGULHKSA-N 2 1 299.245 3.205 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236821527 819608372 /nfs/dbraw/zinc/60/83/72/819608372.db2.gz VJISMUCPVUUWIG-JONQDZQNSA-N 2 1 250.430 3.038 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)CC1(C)CCCCC1 ZINC001236827275 819609803 /nfs/dbraw/zinc/60/98/03/819609803.db2.gz FAQXWUJKDFXEFW-OAHLLOKOSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2)o1 ZINC001236833541 819612750 /nfs/dbraw/zinc/61/27/50/819612750.db2.gz YZAMUTVTJSVDMC-OKZBNKHCSA-N 2 1 296.414 3.424 20 0 CGADMP CCC[N@@H+](Cc1cccc(Cl)c1OC)C[C@H]1CC[NH2+]C1 ZINC001236834915 819614775 /nfs/dbraw/zinc/61/47/75/819614775.db2.gz KDMLEBJCJFRHNU-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1OC)C[C@H]1CC[NH2+]C1 ZINC001236834915 819614776 /nfs/dbraw/zinc/61/47/76/819614776.db2.gz KDMLEBJCJFRHNU-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)CCCCCOCc1ccccc1 ZINC001236861255 819626443 /nfs/dbraw/zinc/62/64/43/819626443.db2.gz XYFMSTYLUDEJRX-KRWDZBQOSA-N 2 1 278.440 3.043 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(F)c2ccoc21 ZINC001236903277 819634683 /nfs/dbraw/zinc/63/46/83/819634683.db2.gz ZGPGQNRSXMEVGK-UHFFFAOYSA-N 2 1 287.338 3.291 20 0 CGADMP CC[N@@H+](C)C1CCN(Cc2ccc(F)c3ccoc32)CC1 ZINC001236902776 819634965 /nfs/dbraw/zinc/63/49/65/819634965.db2.gz WLFNJRNTLXJNEE-UHFFFAOYSA-N 2 1 290.382 3.488 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@](C)(C[NH3+])C2)CC1 ZINC001237056783 819653830 /nfs/dbraw/zinc/65/38/30/819653830.db2.gz JTYGXXAGNDMWCS-JYJNAYRXSA-N 2 1 250.430 3.040 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC001237057991 819656893 /nfs/dbraw/zinc/65/68/93/819656893.db2.gz OYGUBQNZOUSGOE-HNNXBMFYSA-N 2 1 284.806 3.082 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC001237057991 819656895 /nfs/dbraw/zinc/65/68/95/819656895.db2.gz OYGUBQNZOUSGOE-HNNXBMFYSA-N 2 1 284.806 3.082 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])C3)cc21 ZINC001237057949 819657425 /nfs/dbraw/zinc/65/74/25/819657425.db2.gz ORWMKOUYJQWDAV-GOSISDBHSA-N 2 1 285.435 3.222 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001237081222 819662581 /nfs/dbraw/zinc/66/25/81/819662581.db2.gz JJSJZWHPPDCHNL-QGZVFWFLSA-N 2 1 276.399 3.264 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001237081222 819662586 /nfs/dbraw/zinc/66/25/86/819662586.db2.gz JJSJZWHPPDCHNL-QGZVFWFLSA-N 2 1 276.399 3.264 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2c(C)cc(F)cc2C)CC1 ZINC001237321409 819724801 /nfs/dbraw/zinc/72/48/01/819724801.db2.gz KOBUXZJTVDEIBP-UHFFFAOYSA-N 2 1 278.415 3.359 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2c(C)cc(F)cc2C)CC1 ZINC001237321409 819724807 /nfs/dbraw/zinc/72/48/07/819724807.db2.gz KOBUXZJTVDEIBP-UHFFFAOYSA-N 2 1 278.415 3.359 20 0 CGADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CCCCC1 ZINC001237379418 819738738 /nfs/dbraw/zinc/73/87/38/819738738.db2.gz BHAVLCWOHOZAFC-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP c1oc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237406811 819744917 /nfs/dbraw/zinc/74/49/17/819744917.db2.gz VOUDVJXMEFGNFT-XJKSGUPXSA-N 2 1 270.376 3.007 20 0 CGADMP c1oc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237406811 819744922 /nfs/dbraw/zinc/74/49/22/819744922.db2.gz VOUDVJXMEFGNFT-XJKSGUPXSA-N 2 1 270.376 3.007 20 0 CGADMP CCc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1Cl ZINC001237738824 819828599 /nfs/dbraw/zinc/82/85/99/819828599.db2.gz NMOQHWWKFYPJPF-UHFFFAOYSA-N 2 1 268.832 3.286 20 0 CGADMP CCc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1Cl ZINC001237738824 819828609 /nfs/dbraw/zinc/82/86/09/819828609.db2.gz NMOQHWWKFYPJPF-UHFFFAOYSA-N 2 1 268.832 3.286 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1C ZINC001238103641 819933901 /nfs/dbraw/zinc/93/39/01/819933901.db2.gz NWMDYPNRKACZDY-KGLIPLIRSA-N 2 1 257.381 3.202 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1C ZINC001238103641 819933906 /nfs/dbraw/zinc/93/39/06/819933906.db2.gz NWMDYPNRKACZDY-KGLIPLIRSA-N 2 1 257.381 3.202 20 0 CGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(F)cc1Cl ZINC001238299735 819971201 /nfs/dbraw/zinc/97/12/01/819971201.db2.gz HBORBNUBFZVQKJ-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(F)cc1Cl ZINC001238299735 819971207 /nfs/dbraw/zinc/97/12/07/819971207.db2.gz HBORBNUBFZVQKJ-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(F)cc1Cl ZINC001238299735 819971210 /nfs/dbraw/zinc/97/12/10/819971210.db2.gz HBORBNUBFZVQKJ-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(F)cc1Cl ZINC001238299735 819971213 /nfs/dbraw/zinc/97/12/13/819971213.db2.gz HBORBNUBFZVQKJ-OCCSQVGLSA-N 2 1 296.817 3.171 20 0 CGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C2=CCC[NH2+]CC2)nc1 ZINC001238937301 820160750 /nfs/dbraw/zinc/16/07/50/820160750.db2.gz RVOHPTBHFFPSRH-HNNXBMFYSA-N 2 1 285.435 3.223 20 0 CGADMP Nc1[nH]c2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc2[nH+]1 ZINC001240057916 820805155 /nfs/dbraw/zinc/80/51/55/820805155.db2.gz BZZYDXSJVJEXEX-UHFFFAOYSA-N 2 1 292.386 3.408 20 0 CGADMP [NH3+]CCc1ccccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240386494 821013331 /nfs/dbraw/zinc/01/33/31/821013331.db2.gz FVHQBQJGBOWZDA-UHFFFAOYSA-N 2 1 292.426 3.477 20 0 CGADMP c1cc(-c2ccc(C[NH+]3CCCCC3)cc2)c2c([nH+]1)NCC2 ZINC001241389890 821789009 /nfs/dbraw/zinc/78/90/09/821789009.db2.gz BFVKZFULLSGBQO-UHFFFAOYSA-N 2 1 293.414 3.345 20 0 CGADMP C[C@@H]([NH3+])c1ccccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241818984 822160630 /nfs/dbraw/zinc/16/06/30/822160630.db2.gz HKQCNVHCUTUGHI-OAHLLOKOSA-N 2 1 296.414 3.206 20 0 CGADMP c1ccc(Oc2cccc(C[NH2+]CCC[NH+]3CCC3)c2)nc1 ZINC001339872401 936388916 /nfs/dbraw/zinc/38/89/16/936388916.db2.gz VVSQYULJSGBLKH-UHFFFAOYSA-N 2 1 297.402 3.059 20 0 CGADMP Cc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cnc1F ZINC001342977935 936485712 /nfs/dbraw/zinc/48/57/12/936485712.db2.gz GLIHYUSDEHJINC-UHFFFAOYSA-N 2 1 281.419 3.128 20 0 CGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC001343904699 936517810 /nfs/dbraw/zinc/51/78/10/936517810.db2.gz GRBQMWUIOVGCIG-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC001343904699 936517812 /nfs/dbraw/zinc/51/78/12/936517812.db2.gz GRBQMWUIOVGCIG-DZGCQCFKSA-N 2 1 264.413 3.279 20 0 CGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])CCC2 ZINC001345470555 936811917 /nfs/dbraw/zinc/81/19/17/936811917.db2.gz TXSVFBIPLBCATD-OWCLPIDISA-N 2 1 290.455 3.091 20 0 CGADMP C[C@H]1CCCC[C@H]1OCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346016986 936834537 /nfs/dbraw/zinc/83/45/37/936834537.db2.gz HRRKMKJHLCMZFE-DLBZAZTESA-N 2 1 294.483 3.047 20 0 CGADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3CCC(F)(F)CC3)C[C@]2(C)C1 ZINC001351556927 937019618 /nfs/dbraw/zinc/01/96/18/937019618.db2.gz BJUAGHMOSADUFR-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP C[N@H+]1C[C@]2(C)C[NH+](CC3CCC(F)(F)CC3)C[C@]2(C)C1 ZINC001351556927 937019620 /nfs/dbraw/zinc/01/96/20/937019620.db2.gz BJUAGHMOSADUFR-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@H+](CC3CCC(F)(F)CC3)C[C@]2(C)C1 ZINC001351556927 937019624 /nfs/dbraw/zinc/01/96/24/937019624.db2.gz BJUAGHMOSADUFR-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+]1C[C@]2(C)C[N@@H+](CC3CCC(F)(F)CC3)C[C@]2(C)C1 ZINC001351556927 937019627 /nfs/dbraw/zinc/01/96/27/937019627.db2.gz BJUAGHMOSADUFR-GASCZTMLSA-N 2 1 286.410 3.086 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]2C1 ZINC001355373194 937138634 /nfs/dbraw/zinc/13/86/34/937138634.db2.gz KAMRRHAHBYZKNC-CKEIUWERSA-N 2 1 294.389 3.127 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1F ZINC001355374861 937138789 /nfs/dbraw/zinc/13/87/89/937138789.db2.gz VNDRLEGWDBAVOJ-XIRDDKMYSA-N 2 1 290.426 3.296 20 0 CGADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc2c1CCC2 ZINC001356062423 937152093 /nfs/dbraw/zinc/15/20/93/937152093.db2.gz OFGHGMWKCDUZRA-CTXDPNEZSA-N 2 1 296.458 3.423 20 0 CGADMP CC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001201575382 928280723 /nfs/dbraw/zinc/28/07/23/928280723.db2.gz JYLKYDZVMCEBCD-UHFFFAOYSA-N 2 1 264.438 3.056 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC001308554614 928530870 /nfs/dbraw/zinc/53/08/70/928530870.db2.gz QBYFWOIVAOUASE-XHSDSOJGSA-N 2 1 264.457 3.133 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC001462100506 928775078 /nfs/dbraw/zinc/77/50/78/928775078.db2.gz SVPNDXWHBMUWAT-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cncc3ccccc32)C[C@H]1C[NH3+] ZINC000397241829 928802564 /nfs/dbraw/zinc/80/25/64/928802564.db2.gz MEXCFZDPDFDTHE-IJEWVQPXSA-N 2 1 283.419 3.040 20 0 CGADMP C([C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1)[NH+]1CCCCC1 ZINC001459516043 937490064 /nfs/dbraw/zinc/49/00/64/937490064.db2.gz ZTUVBBLNHPWMBA-LXPRWKDFSA-N 2 1 276.468 3.375 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001461144249 937566376 /nfs/dbraw/zinc/56/63/76/937566376.db2.gz VMJCTZYYESARGN-OWCLPIDISA-N 2 1 252.446 3.299 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001461144249 937566379 /nfs/dbraw/zinc/56/63/79/937566379.db2.gz VMJCTZYYESARGN-OWCLPIDISA-N 2 1 252.446 3.299 20 0 CGADMP C[C@H](c1cccc(O[C@H]2CCC[N@@H+](C)CC2)c1)[NH+](C)C ZINC001229628157 932180504 /nfs/dbraw/zinc/18/05/04/932180504.db2.gz SYBACARBQQOOCJ-ZBFHGGJFSA-N 2 1 276.424 3.172 20 0 CGADMP CCc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1 ZINC001461622266 937588669 /nfs/dbraw/zinc/58/86/69/937588669.db2.gz XXFVHSPTCXWRLM-UHFFFAOYSA-N 2 1 262.441 3.317 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(C)c(C)c2)C1 ZINC001461919776 937605894 /nfs/dbraw/zinc/60/58/94/937605894.db2.gz NZKDAMWRDLVSED-SFHVURJKSA-N 2 1 274.452 3.120 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(C)c(C)c2)C1 ZINC001461919776 937605895 /nfs/dbraw/zinc/60/58/95/937605895.db2.gz NZKDAMWRDLVSED-SFHVURJKSA-N 2 1 274.452 3.120 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001462215743 937625803 /nfs/dbraw/zinc/62/58/03/937625803.db2.gz BFNAPUOAQHFTJO-AEFFLSMTSA-N 2 1 274.452 3.390 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001462215743 937625805 /nfs/dbraw/zinc/62/58/05/937625805.db2.gz BFNAPUOAQHFTJO-AEFFLSMTSA-N 2 1 274.452 3.390 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001462303133 937630870 /nfs/dbraw/zinc/63/08/70/937630870.db2.gz AXLBTKJZALZXEB-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001462303133 937630873 /nfs/dbraw/zinc/63/08/73/937630873.db2.gz AXLBTKJZALZXEB-XUWVNRHRSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCc1ccc(F)cc1 ZINC001337412742 932836116 /nfs/dbraw/zinc/83/61/16/932836116.db2.gz GEVYHHUOPSABLC-KRWDZBQOSA-N 2 1 278.415 3.222 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCc1ccc(F)cc1 ZINC001337412742 932836119 /nfs/dbraw/zinc/83/61/19/932836119.db2.gz GEVYHHUOPSABLC-KRWDZBQOSA-N 2 1 278.415 3.222 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1 ZINC001307978404 933029212 /nfs/dbraw/zinc/02/92/12/933029212.db2.gz OSTZCDLZPBEBBS-CBZIJGRNSA-N 2 1 272.436 3.165 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1 ZINC001307978404 933029218 /nfs/dbraw/zinc/02/92/18/933029218.db2.gz OSTZCDLZPBEBBS-CBZIJGRNSA-N 2 1 272.436 3.165 20 0 CGADMP CC(C)C[N@@H+](CCC1CCC1)CC1CC[NH+](C)CC1 ZINC001308025882 933036871 /nfs/dbraw/zinc/03/68/71/933036871.db2.gz YKIRAOSOSXLKMF-UHFFFAOYSA-N 2 1 266.473 3.476 20 0 CGADMP CC[C@@H]1C[C@H]1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001308028084 933037466 /nfs/dbraw/zinc/03/74/66/933037466.db2.gz PVLQTPSKIKZRGT-SJORKVTESA-N 2 1 266.473 3.332 20 0 CGADMP Cc1cc(F)ccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041495 933038408 /nfs/dbraw/zinc/03/84/08/933038408.db2.gz VGYVYXHPVVHKBF-HNNXBMFYSA-N 2 1 299.393 3.240 20 0 CGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001308198270 933070779 /nfs/dbraw/zinc/07/07/79/933070779.db2.gz WYLUTGVZZDBWOT-UHFFFAOYSA-N 2 1 292.467 3.042 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC001308209890 933073175 /nfs/dbraw/zinc/07/31/75/933073175.db2.gz VNZGBDDZZGXOPP-CQSZACIVSA-N 2 1 266.816 3.080 20 0 CGADMP CC[C@@H](C)C[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001308226506 933076047 /nfs/dbraw/zinc/07/60/47/933076047.db2.gz OJFLUEODWCZUPI-KFWWJZLASA-N 2 1 254.462 3.379 20 0 CGADMP CC[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001308422443 933109206 /nfs/dbraw/zinc/10/92/06/933109206.db2.gz KHABETORERGZIW-GJZGRUSLSA-N 2 1 275.440 3.454 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568263 933135101 /nfs/dbraw/zinc/13/51/01/933135101.db2.gz CPJUNJXYVBSCDV-RDJZCZTQSA-N 2 1 299.462 3.483 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568263 933135104 /nfs/dbraw/zinc/13/51/04/933135104.db2.gz CPJUNJXYVBSCDV-RDJZCZTQSA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568263 933135105 /nfs/dbraw/zinc/13/51/05/933135105.db2.gz CPJUNJXYVBSCDV-RDJZCZTQSA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568263 933135108 /nfs/dbraw/zinc/13/51/08/933135108.db2.gz CPJUNJXYVBSCDV-RDJZCZTQSA-N 2 1 299.462 3.483 20 0 CGADMP CC[NH+]1CCC(C[N@@H+](CCC(C)C)C2CC2)CC1 ZINC001308584636 933138365 /nfs/dbraw/zinc/13/83/65/933138365.db2.gz SKOLRIZGOLUKEZ-UHFFFAOYSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC001308847118 933188687 /nfs/dbraw/zinc/18/86/87/933188687.db2.gz BKUOLLDBFPJTBQ-CABCVRRESA-N 2 1 286.529 3.474 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC001308847119 933189363 /nfs/dbraw/zinc/18/93/63/933189363.db2.gz BKUOLLDBFPJTBQ-GJZGRUSLSA-N 2 1 286.529 3.474 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccccc1 ZINC001308980698 933220128 /nfs/dbraw/zinc/22/01/28/933220128.db2.gz BKZZGYAJTRTFPX-NJAFHUGGSA-N 2 1 290.451 3.227 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319200013 933841289 /nfs/dbraw/zinc/84/12/89/933841289.db2.gz AWAJRYZBXBYJDF-XYPHTWIQSA-N 2 1 278.415 3.219 20 0 CGADMP CC[NH+](CC)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC001319909459 933956941 /nfs/dbraw/zinc/95/69/41/933956941.db2.gz FQXVNVRCYMGSJO-UHFFFAOYSA-N 2 1 267.804 3.046 20 0 CGADMP C[C@H]([NH2+]C1(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001320409327 934045406 /nfs/dbraw/zinc/04/54/06/934045406.db2.gz CTLJSHPRZSMWJP-GOEBONIOSA-N 2 1 258.409 3.039 20 0 CGADMP CC[NH+](CC)CCC[NH2+]C1(c2ccccc2OC)CCC1 ZINC001320745907 934098736 /nfs/dbraw/zinc/09/87/36/934098736.db2.gz MURMLBPXUPJREV-UHFFFAOYSA-N 2 1 290.451 3.396 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001320834901 934110493 /nfs/dbraw/zinc/11/04/93/934110493.db2.gz XBNJRFIVKXHMBY-IRXDYDNUSA-N 2 1 264.457 3.375 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001321020867 934136509 /nfs/dbraw/zinc/13/65/09/934136509.db2.gz XXGSEXFUSKFNLW-APIJFGDWSA-N 2 1 252.446 3.274 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC001321090246 934149152 /nfs/dbraw/zinc/14/91/52/934149152.db2.gz JQBMNQYQLMNPIO-BARDWOONSA-N 2 1 284.513 3.369 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc(F)cc1F ZINC001323809135 934427965 /nfs/dbraw/zinc/42/79/65/934427965.db2.gz UIFUAOJYMJFWLB-UHFFFAOYSA-N 2 1 293.361 3.034 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc(F)cc1F ZINC001323809135 934427969 /nfs/dbraw/zinc/42/79/69/934427969.db2.gz UIFUAOJYMJFWLB-UHFFFAOYSA-N 2 1 293.361 3.034 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001323991549 934446652 /nfs/dbraw/zinc/44/66/52/934446652.db2.gz QDUXKQSOUFGRMZ-RYQLBKOJSA-N 2 1 274.452 3.388 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)c2ccccc21 ZINC001325718295 934925158 /nfs/dbraw/zinc/92/51/58/934925158.db2.gz RRXUSRIIABVAPW-RTBURBONSA-N 2 1 278.399 3.410 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC001326158332 934954217 /nfs/dbraw/zinc/95/42/17/934954217.db2.gz ATYPCISRBNPRJY-JSGCOSHPSA-N 2 1 298.390 3.341 20 0 CGADMP CC(C)CCOCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001473739600 937818556 /nfs/dbraw/zinc/81/85/56/937818556.db2.gz XRODJLULYXHOTO-UHFFFAOYSA-N 2 1 298.515 3.349 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2ccncc2)CC1 ZINC001473716578 937818851 /nfs/dbraw/zinc/81/88/51/937818851.db2.gz IXWKPEDDNNDFMR-GOSISDBHSA-N 2 1 287.451 3.168 20 0 CGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccncc2)CC1 ZINC001473716578 937818852 /nfs/dbraw/zinc/81/88/52/937818852.db2.gz IXWKPEDDNNDFMR-GOSISDBHSA-N 2 1 287.451 3.168 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC001329024846 935179241 /nfs/dbraw/zinc/17/92/41/935179241.db2.gz VRYQXRXTSMDLDI-BEFAXECRSA-N 2 1 298.430 3.372 20 0 CGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)CCc1ccccc1 ZINC001329871799 935250135 /nfs/dbraw/zinc/25/01/35/935250135.db2.gz XHLSQQSSKPCEGS-UHFFFAOYSA-N 2 1 285.435 3.306 20 0 CGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)CCc1ccccc1 ZINC001329871799 935250136 /nfs/dbraw/zinc/25/01/36/935250136.db2.gz XHLSQQSSKPCEGS-UHFFFAOYSA-N 2 1 285.435 3.306 20 0 CGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001332230505 935451305 /nfs/dbraw/zinc/45/13/05/935451305.db2.gz FXXAPGHGMOHLHL-QKPAOTATSA-N 2 1 282.472 3.043 20 0 CGADMP CSc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001333841113 936070973 /nfs/dbraw/zinc/07/09/73/936070973.db2.gz KOVMLXLXADXWDQ-BFHYXJOUSA-N 2 1 294.464 3.164 20 0 CGADMP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@@H+]1CCCC[C@H]1C ZINC001334152705 936087659 /nfs/dbraw/zinc/08/76/59/936087659.db2.gz AXLKXSHMSCNHPN-NEPJUHHUSA-N 2 1 266.351 3.181 20 0 CGADMP C[C@@H](C[NH2+]CCCC(F)(F)F)[N@H+]1CCCC[C@H]1C ZINC001334152705 936087663 /nfs/dbraw/zinc/08/76/63/936087663.db2.gz AXLKXSHMSCNHPN-NEPJUHHUSA-N 2 1 266.351 3.181 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C[C@H]1C ZINC001338076161 936305361 /nfs/dbraw/zinc/30/53/61/936305361.db2.gz XVEIBVQKICXYBT-LJIZCISZSA-N 2 1 252.446 3.274 20 0 CGADMP FC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001473749530 937820517 /nfs/dbraw/zinc/82/05/17/937820517.db2.gz ASLIHYZJMKRKSS-GOSISDBHSA-N 2 1 290.426 3.464 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001473957420 937832257 /nfs/dbraw/zinc/83/22/57/937832257.db2.gz OOTIEEDFFQLJEB-GVDBMIGSSA-N 2 1 296.499 3.434 20 0 CGADMP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001473957420 937832259 /nfs/dbraw/zinc/83/22/59/937832259.db2.gz OOTIEEDFFQLJEB-GVDBMIGSSA-N 2 1 296.499 3.434 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(F)ccc1F ZINC001474019886 937835782 /nfs/dbraw/zinc/83/57/82/937835782.db2.gz INVVTRASKYTCTE-UHFFFAOYSA-N 2 1 279.334 3.040 20 0 CGADMP CC(C)C1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC001474313661 937850524 /nfs/dbraw/zinc/85/05/24/937850524.db2.gz CXEUUXDRJOGNEU-INIZCTEOSA-N 2 1 264.457 3.230 20 0 CGADMP CC[NH+]1CCC(C[N@@H+]([C@H](C)C(C)C)C2CC2)CC1 ZINC001474409365 937858104 /nfs/dbraw/zinc/85/81/04/937858104.db2.gz ZFBPAYMSXFIHJP-CQSZACIVSA-N 2 1 252.446 3.227 20 0 CGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001474647861 937872903 /nfs/dbraw/zinc/87/29/03/937872903.db2.gz VQEJOGOBYSGKAK-GOEBONIOSA-N 2 1 254.462 3.475 20 0 CGADMP COc1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)ccc1C ZINC001474742109 937878256 /nfs/dbraw/zinc/87/82/56/937878256.db2.gz ZISDVTJUDZJUPZ-UHFFFAOYSA-N 2 1 278.440 3.023 20 0 CGADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)ccc1C ZINC001474742109 937878258 /nfs/dbraw/zinc/87/82/58/937878258.db2.gz ZISDVTJUDZJUPZ-UHFFFAOYSA-N 2 1 278.440 3.023 20 0 CGADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001549039160 938154534 /nfs/dbraw/zinc/15/45/34/938154534.db2.gz RKZPRVMMNMYNCD-HCXYKTFWSA-N 2 1 284.447 3.112 20 0 CGADMP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1cc3cc(F)ccc3o1)C2 ZINC001549087510 938154885 /nfs/dbraw/zinc/15/48/85/938154885.db2.gz OPQGXFLFEGAUHZ-DYVFJYSZSA-N 2 1 288.366 3.133 20 0 CGADMP CC(C)(C)c1ncc(C[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549087437 938154939 /nfs/dbraw/zinc/15/49/39/938154939.db2.gz KTYWNHGZYIVRCE-MLGOLLRUSA-N 2 1 293.480 3.001 20 0 CGADMP CC(C)(C)c1ncc(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549087437 938154940 /nfs/dbraw/zinc/15/49/40/938154940.db2.gz KTYWNHGZYIVRCE-MLGOLLRUSA-N 2 1 293.480 3.001 20 0 CGADMP Cc1ccc2ncc(C[N@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)cc2c1 ZINC001549710298 938158803 /nfs/dbraw/zinc/15/88/03/938158803.db2.gz PSENVDYCMJNREQ-IEBWSBKVSA-N 2 1 295.430 3.104 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)c12 ZINC001550170848 938163793 /nfs/dbraw/zinc/16/37/93/938163793.db2.gz ZLCBRCPTFSJBBT-JKSUJKDBSA-N 2 1 281.403 3.074 20 0 CGADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)c12 ZINC001550170848 938163794 /nfs/dbraw/zinc/16/37/94/938163794.db2.gz ZLCBRCPTFSJBBT-JKSUJKDBSA-N 2 1 281.403 3.074 20 0 CGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001550539648 938167600 /nfs/dbraw/zinc/16/76/00/938167600.db2.gz GQVUNLJVOIOGME-GXTWGEPZSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001550539648 938167601 /nfs/dbraw/zinc/16/76/01/938167601.db2.gz GQVUNLJVOIOGME-GXTWGEPZSA-N 2 1 298.352 3.089 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001550539648 938167602 /nfs/dbraw/zinc/16/76/02/938167602.db2.gz GQVUNLJVOIOGME-GXTWGEPZSA-N 2 1 298.352 3.089 20 0 CGADMP CN(CCC[N@@H+](C)C[C@@H]1CCCCC1(C)C)CC[NH+](C)C ZINC001559887165 938238292 /nfs/dbraw/zinc/23/82/92/938238292.db2.gz ZTDBPOAFOLIBIB-KRWDZBQOSA-N 2 1 297.531 3.018 20 0 CGADMP CCC(CC)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001560264089 938250166 /nfs/dbraw/zinc/25/01/66/938250166.db2.gz OQCYLBGNKSWIDZ-UHFFFAOYSA-N 2 1 274.452 3.461 20 0 CGADMP CCC(CC)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001560264089 938250167 /nfs/dbraw/zinc/25/01/67/938250167.db2.gz OQCYLBGNKSWIDZ-UHFFFAOYSA-N 2 1 274.452 3.461 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001560312097 938252291 /nfs/dbraw/zinc/25/22/91/938252291.db2.gz TYVPRTFCNIVSHV-LVQVYYBASA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C[NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001560312407 938252334 /nfs/dbraw/zinc/25/23/34/938252334.db2.gz HEGURVFHTCGYEG-INIZCTEOSA-N 2 1 264.457 3.421 20 0 CGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC000035054351 957732352 /nfs/dbraw/zinc/73/23/52/957732352.db2.gz LIEYTOYABMOMND-UHFFFAOYSA-N 2 1 258.409 3.020 20 0 CGADMP CC1(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC001576502328 960475966 /nfs/dbraw/zinc/47/59/66/960475966.db2.gz ADHSODJBDOSDPJ-HOCLYGCPSA-N 2 1 264.457 3.406 20 0 CGADMP CC(C)CCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001575570411 962402707 /nfs/dbraw/zinc/40/27/07/962402707.db2.gz JDHZLOAQJWJZCN-HNNXBMFYSA-N 2 1 252.446 3.406 20 0 CGADMP CC(C)Cc1ccc([C@@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC001575647989 962405748 /nfs/dbraw/zinc/40/57/48/962405748.db2.gz DYLVKFZLKALKHF-ILXRZTDVSA-N 2 1 262.441 3.314 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001576051433 962428327 /nfs/dbraw/zinc/42/83/27/962428327.db2.gz BTSRAFUMJNSBIS-XHDPSFHLSA-N 2 1 296.817 3.284 20 0 CGADMP CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2F)C[C@@H]1[NH3+] ZINC001576380716 962455149 /nfs/dbraw/zinc/45/51/49/962455149.db2.gz XIPNFURUTGONBQ-DLBZAZTESA-N 2 1 299.393 3.103 20 0 CGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001576380717 962457943 /nfs/dbraw/zinc/45/79/43/962457943.db2.gz XIPNFURUTGONBQ-IAGOWNOFSA-N 2 1 299.393 3.103 20 0 CGADMP CC(C)[N@@H+](CCc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC001576597658 962474744 /nfs/dbraw/zinc/47/47/44/962474744.db2.gz GZPZYGWVSNQWNO-SJLPKXTDSA-N 2 1 274.452 3.328 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC001577608935 962552462 /nfs/dbraw/zinc/55/24/62/962552462.db2.gz QLBOLGRIYGRJMQ-UHFFFAOYSA-N 2 1 260.425 3.213 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]([NH3+])C(C)C)cc1C ZINC001579571453 962634025 /nfs/dbraw/zinc/63/40/25/962634025.db2.gz GFNRVGXNGIAOSJ-JTGQJZMRSA-N 2 1 260.425 3.198 20 0 CGADMP Cc1ccc(CC[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)cc1C ZINC001579688173 962653040 /nfs/dbraw/zinc/65/30/40/962653040.db2.gz UKSIMFUORCJSKL-OALUTQOASA-N 2 1 286.463 3.297 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](Cc3cc(C(C)(C)[NH3+])no3)C2)cc1 ZINC001579678102 962658511 /nfs/dbraw/zinc/65/85/11/962658511.db2.gz IBUOQJIUNJRLCL-HNNXBMFYSA-N 2 1 299.418 3.166 20 0 CGADMP Cc1cccc(CCC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC001579759582 962669052 /nfs/dbraw/zinc/66/90/52/962669052.db2.gz NWQTZBIFXILMOL-JZXOWHBKSA-N 2 1 274.452 3.233 20 0 CGADMP Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH3+])cc2)cs1 ZINC001579866652 962679286 /nfs/dbraw/zinc/67/92/86/962679286.db2.gz HCXLPYSTHIGHEF-MRXNPFEDSA-N 2 1 287.432 3.247 20 0 CGADMP Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C[NH3+])cc2)cs1 ZINC001579866652 962679293 /nfs/dbraw/zinc/67/92/93/962679293.db2.gz HCXLPYSTHIGHEF-MRXNPFEDSA-N 2 1 287.432 3.247 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001580229486 962710803 /nfs/dbraw/zinc/71/08/03/962710803.db2.gz QEJWDVILUASPRL-OAHLLOKOSA-N 2 1 266.816 3.337 20 0 CGADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC(F)F)cc1 ZINC000124674616 187148063 /nfs/dbraw/zinc/14/80/63/187148063.db2.gz LNLXUAVSYCGRAY-CQSZACIVSA-N 2 1 298.377 3.204 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC(F)F)cc1 ZINC000124674616 187148064 /nfs/dbraw/zinc/14/80/64/187148064.db2.gz LNLXUAVSYCGRAY-CQSZACIVSA-N 2 1 298.377 3.204 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(OC(F)F)cc1 ZINC000124674616 187148065 /nfs/dbraw/zinc/14/80/65/187148065.db2.gz LNLXUAVSYCGRAY-CQSZACIVSA-N 2 1 298.377 3.204 20 0 CGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(OC(F)F)cc1 ZINC000124674616 187148066 /nfs/dbraw/zinc/14/80/66/187148066.db2.gz LNLXUAVSYCGRAY-CQSZACIVSA-N 2 1 298.377 3.204 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000124959447 187163245 /nfs/dbraw/zinc/16/32/45/187163245.db2.gz UYMAZAXNADJOTC-ZDUSSCGKSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000124959447 187163246 /nfs/dbraw/zinc/16/32/46/187163246.db2.gz UYMAZAXNADJOTC-ZDUSSCGKSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)s1 ZINC000651492007 398253272 /nfs/dbraw/zinc/25/32/72/398253272.db2.gz RHUVCPRBHTXLMZ-LLVKDONJSA-N 2 1 281.469 3.285 20 0 CGADMP FCCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337986865 282952691 /nfs/dbraw/zinc/95/26/91/282952691.db2.gz CDDRZPBQCDUICA-CJNGLKHVSA-N 2 1 268.420 3.121 20 0 CGADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000651676123 398267378 /nfs/dbraw/zinc/26/73/78/398267378.db2.gz OVZPGYNKQAEFEG-NUEKZKHPSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337775530 214256455 /nfs/dbraw/zinc/25/64/55/214256455.db2.gz XHULNRXIAQTKHC-SJORKVTESA-N 2 1 260.425 3.241 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000337756687 214248179 /nfs/dbraw/zinc/24/81/79/214248179.db2.gz MFVGZRKPBSDURA-LJQANCHMSA-N 2 1 282.431 3.443 20 0 CGADMP CCc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000651721785 398275909 /nfs/dbraw/zinc/27/59/09/398275909.db2.gz RPUAKQJZYRKWSR-PBHICJAKSA-N 2 1 260.425 3.069 20 0 CGADMP COc1ccc(F)c(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000622043426 349623357 /nfs/dbraw/zinc/62/33/57/349623357.db2.gz APAXIQRCUQMJIZ-UKRRQHHQSA-N 2 1 294.414 3.235 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337985835 214344973 /nfs/dbraw/zinc/34/49/73/214344973.db2.gz DSFMRNXFVBMNBW-HUUCEWRRSA-N 2 1 258.425 3.226 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337985835 214344976 /nfs/dbraw/zinc/34/49/76/214344976.db2.gz DSFMRNXFVBMNBW-HUUCEWRRSA-N 2 1 258.425 3.226 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337993493 214349130 /nfs/dbraw/zinc/34/91/30/214349130.db2.gz HUMDDIAOXJVCIK-VNQPRFMTSA-N 2 1 281.419 3.336 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000338006400 214355334 /nfs/dbraw/zinc/35/53/34/214355334.db2.gz BFMFJKZSUANYKY-LLVKDONJSA-N 2 1 279.334 3.211 20 0 CGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423442291 529453279 /nfs/dbraw/zinc/45/32/79/529453279.db2.gz BMZAGQRHRZJVBU-GUYCJALGSA-N 2 1 269.392 3.137 20 0 CGADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423198622 290655339 /nfs/dbraw/zinc/65/53/39/290655339.db2.gz GWJNHFLRFGUJEA-CQSZACIVSA-N 2 1 282.815 3.061 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000423458731 529568757 /nfs/dbraw/zinc/56/87/57/529568757.db2.gz HDALFFALVWNARO-CHWSQXEVSA-N 2 1 285.229 3.227 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000423475864 529569310 /nfs/dbraw/zinc/56/93/10/529569310.db2.gz SEVAFNPYRGSZPY-MSOLQXFVSA-N 2 1 268.404 3.297 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414177530 529605590 /nfs/dbraw/zinc/60/55/90/529605590.db2.gz JSOWBIDGAYCXRG-RDJZCZTQSA-N 2 1 260.425 3.459 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CC1(C)C ZINC000414143814 529596501 /nfs/dbraw/zinc/59/65/01/529596501.db2.gz IYMYEGZYMCERAZ-GJZGRUSLSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000623338214 349781869 /nfs/dbraw/zinc/78/18/69/349781869.db2.gz QGOGYHLEVAPXTR-NEPJUHHUSA-N 2 1 252.427 3.272 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1(C)C ZINC000623339802 349782516 /nfs/dbraw/zinc/78/25/16/349782516.db2.gz KWXSPNFQEBSMTK-CYBMUJFWSA-N 2 1 298.377 3.250 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1(C)C ZINC000623339802 349782517 /nfs/dbraw/zinc/78/25/17/349782517.db2.gz KWXSPNFQEBSMTK-CYBMUJFWSA-N 2 1 298.377 3.250 20 0 CGADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Cl)s1 ZINC000423263312 529618950 /nfs/dbraw/zinc/61/89/50/529618950.db2.gz AWAJWFSPGKHZJM-UWVGGRQHSA-N 2 1 260.834 3.426 20 0 CGADMP CCc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424287120 529639652 /nfs/dbraw/zinc/63/96/52/529639652.db2.gz IOUFBWZCQZNEDP-OAHLLOKOSA-N 2 1 272.436 3.213 20 0 CGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1OC ZINC000423526371 529654362 /nfs/dbraw/zinc/65/43/62/529654362.db2.gz LIJXVXCGFZYNQY-HOTGVXAUSA-N 2 1 276.424 3.253 20 0 CGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623372317 349792629 /nfs/dbraw/zinc/79/26/29/349792629.db2.gz ORLDVRPNOJLCED-HIFRSBDPSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1F ZINC000423369556 529659955 /nfs/dbraw/zinc/65/99/55/529659955.db2.gz FZMCIUIDQFVIGD-HCKVZZMMSA-N 2 1 268.351 3.146 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccccc1OC(F)F ZINC000423406775 529671962 /nfs/dbraw/zinc/67/19/62/529671962.db2.gz UZACPKHBYRIEPT-XBFCOCLRSA-N 2 1 298.377 3.327 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2occc21 ZINC000192824304 282215560 /nfs/dbraw/zinc/21/55/60/282215560.db2.gz CHDGNICPYQSAIH-IUODEOHRSA-N 2 1 273.380 3.088 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CSCc3ccccc32)CC1(C)C ZINC000623381907 349794909 /nfs/dbraw/zinc/79/49/09/349794909.db2.gz NRWBUNSCKRLPFX-ZBFHGGJFSA-N 2 1 290.476 3.437 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CSCc3ccccc32)CC1(C)C ZINC000623381907 349794911 /nfs/dbraw/zinc/79/49/11/349794911.db2.gz NRWBUNSCKRLPFX-ZBFHGGJFSA-N 2 1 290.476 3.437 20 0 CGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)c[nH]c2c1 ZINC000623387595 349796745 /nfs/dbraw/zinc/79/67/45/349796745.db2.gz KEEMQIZIYULUST-MRXNPFEDSA-N 2 1 299.462 3.481 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401807 349799959 /nfs/dbraw/zinc/79/99/59/349799959.db2.gz PGZOGGCZLLLTEG-GOEBONIOSA-N 2 1 290.451 3.176 20 0 CGADMP C[N@H+]1CC[C@H](N[C@H]2CSc3ccccc32)CC1(C)C ZINC000623424375 349804304 /nfs/dbraw/zinc/80/43/04/349804304.db2.gz PAGWNGREHCBYBF-JSGCOSHPSA-N 2 1 276.449 3.296 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccnc1 ZINC000623442466 349810745 /nfs/dbraw/zinc/81/07/45/349810745.db2.gz PCSIPYSIUJVSLU-DLBZAZTESA-N 2 1 289.467 3.284 20 0 CGADMP COc1cccc(C2([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CC2)c1 ZINC000623446437 349811528 /nfs/dbraw/zinc/81/15/28/349811528.db2.gz CDIHOAYUIDSMFW-HNNXBMFYSA-N 2 1 288.435 3.147 20 0 CGADMP COc1cccc(C2([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)CC2)c1 ZINC000623446437 349811530 /nfs/dbraw/zinc/81/15/30/349811530.db2.gz CDIHOAYUIDSMFW-HNNXBMFYSA-N 2 1 288.435 3.147 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623550410 349832073 /nfs/dbraw/zinc/83/20/73/349832073.db2.gz NJGSEZTZIDKKGL-QWRGUYRKSA-N 2 1 266.351 3.037 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000424353908 529807156 /nfs/dbraw/zinc/80/71/56/529807156.db2.gz POJMCPXSLHKFGJ-FLXSYLCISA-N 2 1 270.420 3.210 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000424353908 529807158 /nfs/dbraw/zinc/80/71/58/529807158.db2.gz POJMCPXSLHKFGJ-FLXSYLCISA-N 2 1 270.420 3.210 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)CC1 ZINC000623572810 349838473 /nfs/dbraw/zinc/83/84/73/349838473.db2.gz ODCAFBLEJUGODR-URGYJCLVSA-N 2 1 270.436 3.366 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC000623656235 349858407 /nfs/dbraw/zinc/85/84/07/349858407.db2.gz PUFJYWZKGKEASI-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1C ZINC000623654523 349857190 /nfs/dbraw/zinc/85/71/90/349857190.db2.gz BJCQDCJQBULJRV-QGZVFWFLSA-N 2 1 260.425 3.125 20 0 CGADMP c1ccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000128090043 187351128 /nfs/dbraw/zinc/35/11/28/187351128.db2.gz LHLRPZVXQHIYDB-GPQLOAJWSA-N 2 1 270.420 3.149 20 0 CGADMP C[C@@H](CCc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295087193 199338604 /nfs/dbraw/zinc/33/86/04/199338604.db2.gz SQYUFUZKYDLNQK-LNRIEFBSSA-N 2 1 290.426 3.362 20 0 CGADMP C[NH2+]CCC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000420366157 529965065 /nfs/dbraw/zinc/96/50/65/529965065.db2.gz FPIPULWWYAGYHZ-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000423275840 529986071 /nfs/dbraw/zinc/98/60/71/529986071.db2.gz NRSJAHLNGMXCCL-IAQYHMDHSA-N 2 1 270.367 3.107 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449251154 530047421 /nfs/dbraw/zinc/04/74/21/530047421.db2.gz NKBPORVGDGGQEX-UHFFFAOYSA-N 2 1 292.467 3.108 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000366166112 530052795 /nfs/dbraw/zinc/05/27/95/530052795.db2.gz XXWVOVFKDOOCAF-INIZCTEOSA-N 2 1 294.483 3.284 20 0 CGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000040620673 344964541 /nfs/dbraw/zinc/96/45/41/344964541.db2.gz AQRCMQBIKBUQPW-CYBMUJFWSA-N 2 1 266.816 3.160 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000040620673 344964543 /nfs/dbraw/zinc/96/45/43/344964543.db2.gz AQRCMQBIKBUQPW-CYBMUJFWSA-N 2 1 266.816 3.160 20 0 CGADMP C[C@@H]1CCC[C@](C[NH2+]C(C2CC2)C2CC2)([NH+](C)C)C1 ZINC000040668359 344965209 /nfs/dbraw/zinc/96/52/09/344965209.db2.gz ZHTLLEHTASYBRS-DYVFJYSZSA-N 2 1 264.457 3.275 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996344 344946294 /nfs/dbraw/zinc/94/62/94/344946294.db2.gz ILXQLUVIZJKCJZ-ZWKOTPCHSA-N 2 1 288.435 3.192 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996344 344946295 /nfs/dbraw/zinc/94/62/95/344946295.db2.gz ILXQLUVIZJKCJZ-ZWKOTPCHSA-N 2 1 288.435 3.192 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037211002 344948728 /nfs/dbraw/zinc/94/87/28/344948728.db2.gz XPXXUELGLGERED-HNNXBMFYSA-N 2 1 278.440 3.386 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054240918 345130935 /nfs/dbraw/zinc/13/09/35/345130935.db2.gz DOSLIGNJUOMGBM-ZFWWWQNUSA-N 2 1 280.843 3.202 20 0 CGADMP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000068722490 345359887 /nfs/dbraw/zinc/35/98/87/345359887.db2.gz SBLDFHGXLGWRMY-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000078575897 345613435 /nfs/dbraw/zinc/61/34/35/345613435.db2.gz CAQLSQJZWVPPJV-LBPRGKRZSA-N 2 1 275.421 3.217 20 0 CGADMP Fc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1F ZINC000080959832 345692125 /nfs/dbraw/zinc/69/21/25/345692125.db2.gz TUJHALUOXYMHSW-GFCCVEGCSA-N 2 1 277.318 3.068 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000085099174 345744223 /nfs/dbraw/zinc/74/42/23/345744223.db2.gz YLOZNUQOEVGDRY-FXUDXRNXSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000091482777 345816723 /nfs/dbraw/zinc/81/67/23/345816723.db2.gz JTNYJFYAEDKMNF-LLVKDONJSA-N 2 1 261.394 3.050 20 0 CGADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000091482777 345816724 /nfs/dbraw/zinc/81/67/24/345816724.db2.gz JTNYJFYAEDKMNF-LLVKDONJSA-N 2 1 261.394 3.050 20 0 CGADMP C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)CC1CC[NH+](C)CC1 ZINC000093088957 345869404 /nfs/dbraw/zinc/86/94/04/345869404.db2.gz QPNLVMGQCQVHCN-QZTJIDSGSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000127558788 187315749 /nfs/dbraw/zinc/31/57/49/187315749.db2.gz JPYZEKMLNZECGS-ZDUSSCGKSA-N 2 1 276.399 3.146 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166793873 346187628 /nfs/dbraw/zinc/18/76/28/346187628.db2.gz NXOZHSRVMWUVHN-LVQVYYBASA-N 2 1 282.497 3.267 20 0 CGADMP C/C(=C\c1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295138484 199367582 /nfs/dbraw/zinc/36/75/82/199367582.db2.gz ZKMKUUXPEFJXGU-CWWKMALHSA-N 2 1 270.420 3.305 20 0 CGADMP CC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236619842 346341609 /nfs/dbraw/zinc/34/16/09/346341609.db2.gz LJMYVTJXZNMWRQ-KRWDZBQOSA-N 2 1 274.452 3.187 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000314229342 346481075 /nfs/dbraw/zinc/48/10/75/346481075.db2.gz WVPVTVZPXJMOAI-AWEZNQCLSA-N 2 1 257.381 3.012 20 0 CGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068104 346501020 /nfs/dbraw/zinc/50/10/20/346501020.db2.gz NXOZHSRVMWUVHN-FXUDXRNXSA-N 2 1 282.497 3.267 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1c[nH+]ccc1N ZINC000584714625 346709607 /nfs/dbraw/zinc/70/96/07/346709607.db2.gz UFHQCPJEGZFRJE-APPDUMDISA-N 2 1 285.366 3.361 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000584869215 346719611 /nfs/dbraw/zinc/71/96/11/346719611.db2.gz WSYYBWVEVGTWNQ-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000584869215 346719614 /nfs/dbraw/zinc/71/96/14/346719614.db2.gz WSYYBWVEVGTWNQ-FVQBIDKESA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000595564605 347319788 /nfs/dbraw/zinc/31/97/88/347319788.db2.gz GKWFLTFEUWOYDQ-INIZCTEOSA-N 2 1 250.430 3.147 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(F)c1 ZINC000624120215 349976861 /nfs/dbraw/zinc/97/68/61/349976861.db2.gz UMXCBXMCGJMVNL-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(F)c1 ZINC000624120215 349976864 /nfs/dbraw/zinc/97/68/64/349976864.db2.gz UMXCBXMCGJMVNL-KGLIPLIRSA-N 2 1 294.414 3.217 20 0 CGADMP Cc1sccc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000339345798 215108109 /nfs/dbraw/zinc/10/81/09/215108109.db2.gz KPUKRGBYMXCGLL-ZDUSSCGKSA-N 2 1 266.454 3.411 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000624120769 349978610 /nfs/dbraw/zinc/97/86/10/349978610.db2.gz GTANMWCTAKSQNS-QAPCUYQASA-N 2 1 290.451 3.468 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121685 349979772 /nfs/dbraw/zinc/97/97/72/349979772.db2.gz BBGAXYDRHDINCL-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121892 349980539 /nfs/dbraw/zinc/98/05/39/349980539.db2.gz FTPWGMIEDPOFPU-HOCLYGCPSA-N 2 1 280.481 3.391 20 0 CGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cnn1C(C)C ZINC000624124077 349982488 /nfs/dbraw/zinc/98/24/88/349982488.db2.gz WLGXEBZNVOYIED-ZBFHGGJFSA-N 2 1 292.471 3.155 20 0 CGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cnn1C(C)C ZINC000624124077 349982492 /nfs/dbraw/zinc/98/24/92/349982492.db2.gz WLGXEBZNVOYIED-ZBFHGGJFSA-N 2 1 292.471 3.155 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccncc1 ZINC000624123496 349983099 /nfs/dbraw/zinc/98/30/99/349983099.db2.gz NFOLDXHNIJXARB-FUHWJXTLSA-N 2 1 289.467 3.490 20 0 CGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cnn1C(C)C ZINC000624124074 349983116 /nfs/dbraw/zinc/98/31/16/349983116.db2.gz WLGXEBZNVOYIED-GDBMZVCRSA-N 2 1 292.471 3.155 20 0 CGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cnn1C(C)C ZINC000624124074 349983117 /nfs/dbraw/zinc/98/31/17/349983117.db2.gz WLGXEBZNVOYIED-GDBMZVCRSA-N 2 1 292.471 3.155 20 0 CGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000624123217 349982844 /nfs/dbraw/zinc/98/28/44/349982844.db2.gz IEAVBGNIEHHVEY-RHSMWYFYSA-N 2 1 288.435 3.091 20 0 CGADMP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000608081475 348283294 /nfs/dbraw/zinc/28/32/94/348283294.db2.gz FOXVLFLWSOFVRY-GFCCVEGCSA-N 2 1 275.421 3.263 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000358005538 233035446 /nfs/dbraw/zinc/03/54/46/233035446.db2.gz NRDBQPQMARGFCI-XEZPLFJOSA-N 2 1 269.392 3.487 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261556302 290226999 /nfs/dbraw/zinc/22/69/99/290226999.db2.gz BWMSTBLLTNQIIA-WCUVEOEZSA-N 2 1 264.800 3.070 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000359028759 233244542 /nfs/dbraw/zinc/24/45/42/233244542.db2.gz KBNKXRYRKOPTLY-JLZZUVOBSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000359028759 233244544 /nfs/dbraw/zinc/24/45/44/233244544.db2.gz KBNKXRYRKOPTLY-JLZZUVOBSA-N 2 1 276.399 3.133 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)[C@@H](C)C1 ZINC000624272649 350016998 /nfs/dbraw/zinc/01/69/98/350016998.db2.gz NOVGXTWHNUZOFO-STQMWFEESA-N 2 1 292.389 3.429 20 0 CGADMP c1cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2[nH]1 ZINC000628184404 350428732 /nfs/dbraw/zinc/42/87/32/350428732.db2.gz LLXHYHOBTIGVRD-KRWDZBQOSA-N 2 1 297.446 3.476 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186738 350429916 /nfs/dbraw/zinc/42/99/16/350429916.db2.gz UYGDVODOVVTSAD-SJORKVTESA-N 2 1 274.452 3.372 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186738 350429918 /nfs/dbraw/zinc/42/99/18/350429918.db2.gz UYGDVODOVVTSAD-SJORKVTESA-N 2 1 274.452 3.372 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186738 350429922 /nfs/dbraw/zinc/42/99/22/350429922.db2.gz UYGDVODOVVTSAD-SJORKVTESA-N 2 1 274.452 3.372 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628208146 350440248 /nfs/dbraw/zinc/44/02/48/350440248.db2.gz AHWMMQHASVXHDI-IAGOWNOFSA-N 2 1 274.452 3.420 20 0 CGADMP C/C=C/C[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628494985 350560915 /nfs/dbraw/zinc/56/09/15/350560915.db2.gz FYINHPXQIXGQRW-KZSQQDEKSA-N 2 1 296.418 3.446 20 0 CGADMP C/C=C/C[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628494985 350560918 /nfs/dbraw/zinc/56/09/18/350560918.db2.gz FYINHPXQIXGQRW-KZSQQDEKSA-N 2 1 296.418 3.446 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cnc3ccc(C)cc3c2)CC[C@@H]1[NH3+] ZINC000629528147 350703034 /nfs/dbraw/zinc/70/30/34/350703034.db2.gz QJHKRPZNFLWRLV-WBVHZDCISA-N 2 1 283.419 3.102 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)c1ccccc1 ZINC000629542095 350707823 /nfs/dbraw/zinc/70/78/23/350707823.db2.gz YHNLHIFWSAMZSF-IJEWVQPXSA-N 2 1 260.425 3.083 20 0 CGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550253 350711097 /nfs/dbraw/zinc/71/10/97/350711097.db2.gz KQYIITHIHPLJCQ-ZWKOTPCHSA-N 2 1 295.430 3.498 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629560129 350713509 /nfs/dbraw/zinc/71/35/09/350713509.db2.gz DFLXKBRWLIWWTM-CHWSQXEVSA-N 2 1 278.362 3.026 20 0 CGADMP C[C@H]([NH3+])c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000629733545 350755806 /nfs/dbraw/zinc/75/58/06/350755806.db2.gz XJSBUGVALOTFDF-HNNXBMFYSA-N 2 1 296.414 3.206 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000629595318 350716957 /nfs/dbraw/zinc/71/69/57/350716957.db2.gz MRLPJSWFTUPMOH-RXYHWBRQSA-N 2 1 250.430 3.054 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629656764 350731159 /nfs/dbraw/zinc/73/11/59/350731159.db2.gz QHFBEXMGUSCDLE-RQJABVFESA-N 2 1 292.389 3.272 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000629659792 350731941 /nfs/dbraw/zinc/73/19/41/350731941.db2.gz HDBPJHXECRZPCQ-HYVNUMGLSA-N 2 1 260.425 3.156 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000629672231 350733872 /nfs/dbraw/zinc/73/38/72/350733872.db2.gz OVPXBZGMYJCKPL-COPLHBTASA-N 2 1 286.341 3.149 20 0 CGADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000629673756 350734749 /nfs/dbraw/zinc/73/47/49/350734749.db2.gz HCNSSIZUWQARIW-ZESBSSJPSA-N 2 1 250.430 3.053 20 0 CGADMP Cc1cc(N)[nH+]cc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000629697170 350741350 /nfs/dbraw/zinc/74/13/50/350741350.db2.gz VLGKJUDOHBVQCW-UHFFFAOYSA-N 2 1 281.403 3.455 20 0 CGADMP CC[NH+](CC)CCOc1ccc(-c2c[nH+]c(C)n2C)cc1 ZINC000630052315 350802051 /nfs/dbraw/zinc/80/20/51/350802051.db2.gz VKNFPQQCUICCLR-UHFFFAOYSA-N 2 1 287.407 3.116 20 0 CGADMP Cc1cc(C)c(COc2ccccc2C[NH3+])c(C)[nH+]1 ZINC000630504583 350849517 /nfs/dbraw/zinc/84/95/17/350849517.db2.gz SCVAPSPKJPEUHA-UHFFFAOYSA-N 2 1 256.349 3.045 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc(C)c1C ZINC000631064950 350941162 /nfs/dbraw/zinc/94/11/62/350941162.db2.gz VRDFTXRSPWFIKR-LLVKDONJSA-N 2 1 277.437 3.296 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631055345 350938051 /nfs/dbraw/zinc/93/80/51/350938051.db2.gz PFYNUZZQQCAZSD-UHFFFAOYSA-N 2 1 297.393 3.373 20 0 CGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)F)CC2)C1 ZINC000631658261 351107877 /nfs/dbraw/zinc/10/78/77/351107877.db2.gz JYSJDLDMZLGTRT-HIFRSBDPSA-N 2 1 270.436 3.367 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)[C@@H](C)C1 ZINC000631665118 351110734 /nfs/dbraw/zinc/11/07/34/351110734.db2.gz ONWFUAFRVSJPJQ-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631585336 351078771 /nfs/dbraw/zinc/07/87/71/351078771.db2.gz PEBJYGWVTIJGON-YJBOKZPZSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631585336 351078774 /nfs/dbraw/zinc/07/87/74/351078774.db2.gz PEBJYGWVTIJGON-YJBOKZPZSA-N 2 1 287.451 3.313 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841149 351150351 /nfs/dbraw/zinc/15/03/51/351150351.db2.gz YUVFNBOPEQAKSJ-NQBHXWOUSA-N 2 1 297.240 3.037 20 0 CGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841149 351150352 /nfs/dbraw/zinc/15/03/52/351150352.db2.gz YUVFNBOPEQAKSJ-NQBHXWOUSA-N 2 1 297.240 3.037 20 0 CGADMP c1cnc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2c1 ZINC000634688530 351574104 /nfs/dbraw/zinc/57/41/04/351574104.db2.gz VURPMWBZLZNELC-CVEARBPZSA-N 2 1 295.430 3.056 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCCCCC2)s1 ZINC000352255947 219382830 /nfs/dbraw/zinc/38/28/30/219382830.db2.gz DZXCAZZBFMLAMN-UHFFFAOYSA-N 2 1 267.442 3.017 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CNc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000635010092 351628644 /nfs/dbraw/zinc/62/86/44/351628644.db2.gz YGAJHWNUYIQPAC-JZGRTCEGSA-N 2 1 299.462 3.048 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2Cl)CC[N@@H+]1C ZINC000123165229 187075228 /nfs/dbraw/zinc/07/52/28/187075228.db2.gz ZMUDPGPDGVUKJX-KBPBESRZSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2Cl)CC[N@H+]1C ZINC000123165229 187075229 /nfs/dbraw/zinc/07/52/29/187075229.db2.gz ZMUDPGPDGVUKJX-KBPBESRZSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2Cl)CC[NH+]1C ZINC000123165229 187075230 /nfs/dbraw/zinc/07/52/30/187075230.db2.gz ZMUDPGPDGVUKJX-KBPBESRZSA-N 2 1 296.842 3.133 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2Cl)CC[NH+]1C ZINC000123165229 187075231 /nfs/dbraw/zinc/07/52/31/187075231.db2.gz ZMUDPGPDGVUKJX-KBPBESRZSA-N 2 1 296.842 3.133 20 0 CGADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000123584500 187099947 /nfs/dbraw/zinc/09/99/47/187099947.db2.gz NGCLJSHQRQSYKA-TZMCWYRMSA-N 2 1 272.392 3.300 20 0 CGADMP Fc1cc2cccnc2c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363890566 234007712 /nfs/dbraw/zinc/00/77/12/234007712.db2.gz QGLZVWUHOHDJQD-IRXDYDNUSA-N 2 1 299.393 3.090 20 0 CGADMP Fc1cc2cccnc2c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000363890566 234007717 /nfs/dbraw/zinc/00/77/17/234007717.db2.gz QGLZVWUHOHDJQD-IRXDYDNUSA-N 2 1 299.393 3.090 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000125959304 535175797 /nfs/dbraw/zinc/17/57/97/535175797.db2.gz GHIKIELIIQGJPV-HUUCEWRRSA-N 2 1 282.472 3.043 20 0 CGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155696 198184009 /nfs/dbraw/zinc/18/40/09/198184009.db2.gz OCAYZTHIMZAZLI-MRXNPFEDSA-N 2 1 280.362 3.152 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155696 198184010 /nfs/dbraw/zinc/18/40/10/198184010.db2.gz OCAYZTHIMZAZLI-MRXNPFEDSA-N 2 1 280.362 3.152 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155696 198184012 /nfs/dbraw/zinc/18/40/12/198184012.db2.gz OCAYZTHIMZAZLI-MRXNPFEDSA-N 2 1 280.362 3.152 20 0 CGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155696 198184014 /nfs/dbraw/zinc/18/40/14/198184014.db2.gz OCAYZTHIMZAZLI-MRXNPFEDSA-N 2 1 280.362 3.152 20 0 CGADMP CCOCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000152584841 188030382 /nfs/dbraw/zinc/03/03/82/188030382.db2.gz QIMXYMUUOFZZNF-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000152584841 188030383 /nfs/dbraw/zinc/03/03/83/188030383.db2.gz QIMXYMUUOFZZNF-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000152584841 188030385 /nfs/dbraw/zinc/03/03/85/188030385.db2.gz QIMXYMUUOFZZNF-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP CCOCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000152584841 188030386 /nfs/dbraw/zinc/03/03/86/188030386.db2.gz QIMXYMUUOFZZNF-AEFFLSMTSA-N 2 1 290.451 3.008 20 0 CGADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000156091150 188242063 /nfs/dbraw/zinc/24/20/63/188242063.db2.gz AXBRFLXKXQCVOO-KBAYOESNSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156334569 188255517 /nfs/dbraw/zinc/25/55/17/188255517.db2.gz QPABORIDYYKDAX-SPYBWZPUSA-N 2 1 299.462 3.419 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000158563862 188382484 /nfs/dbraw/zinc/38/24/84/188382484.db2.gz VDQUUOMKQQSPAK-JZXOWHBKSA-N 2 1 274.452 3.307 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000158563862 188382485 /nfs/dbraw/zinc/38/24/85/188382485.db2.gz VDQUUOMKQQSPAK-JZXOWHBKSA-N 2 1 274.452 3.307 20 0 CGADMP FC1(F)CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459521507 282945635 /nfs/dbraw/zinc/94/56/35/282945635.db2.gz FCXJMMSUOVWJEI-GFCCVEGCSA-N 2 1 272.383 3.028 20 0 CGADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC000420387467 283004332 /nfs/dbraw/zinc/00/43/32/283004332.db2.gz WDWLBPMONCTINK-MSOLQXFVSA-N 2 1 288.410 3.279 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411869757 235090114 /nfs/dbraw/zinc/09/01/14/235090114.db2.gz NQSIBNCUFUALFC-UHFFFAOYSA-N 2 1 293.480 3.333 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCSC2(CCC2)CC1 ZINC000411869757 235090119 /nfs/dbraw/zinc/09/01/19/235090119.db2.gz NQSIBNCUFUALFC-UHFFFAOYSA-N 2 1 293.480 3.333 20 0 CGADMP C[C@H]1C[C@@H](C[N@H+](Cc2ccc(F)cc2)CC2CC2)CC[NH2+]1 ZINC000414712332 291055343 /nfs/dbraw/zinc/05/53/43/291055343.db2.gz TYIXJQVJXZALND-YOEHRIQHSA-N 2 1 290.426 3.426 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000271836738 191356855 /nfs/dbraw/zinc/35/68/55/191356855.db2.gz YEZXQSMKAAHGOF-HNNXBMFYSA-N 2 1 298.434 3.143 20 0 CGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000271828797 191352298 /nfs/dbraw/zinc/35/22/98/191352298.db2.gz DPJYNWMBFLUXIA-LBPRGKRZSA-N 2 1 296.361 3.201 20 0 CGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC000271873191 191383319 /nfs/dbraw/zinc/38/33/19/191383319.db2.gz NFXKAYKROPRIFV-INIZCTEOSA-N 2 1 280.362 3.267 20 0 CGADMP Cc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414199620 235361674 /nfs/dbraw/zinc/36/16/74/235361674.db2.gz XOKNIFLURXORRR-FZMZJTMJSA-N 2 1 281.469 3.142 20 0 CGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414170422 235352898 /nfs/dbraw/zinc/35/28/98/235352898.db2.gz BZEYJEOWXUNNDO-QWHCGFSZSA-N 2 1 282.378 3.347 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414316893 235387072 /nfs/dbraw/zinc/38/70/72/235387072.db2.gz IUSVKYGKJFCXBI-UHFFFAOYSA-N 2 1 297.324 3.309 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)[C@H]2CCC[C@H]21 ZINC000453257047 283137003 /nfs/dbraw/zinc/13/70/03/283137003.db2.gz UPLGACCTGVFCJG-LJISPDSOSA-N 2 1 286.410 3.274 20 0 CGADMP Cc1cccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000414758191 235460308 /nfs/dbraw/zinc/46/03/08/235460308.db2.gz UOYDOLUEPQDBTM-LZLYRXPVSA-N 2 1 272.436 3.172 20 0 CGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414801510 235467838 /nfs/dbraw/zinc/46/78/38/235467838.db2.gz UFYNDYPFOSNRKN-DZGCQCFKSA-N 2 1 287.432 3.027 20 0 CGADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415073897 235524608 /nfs/dbraw/zinc/52/46/08/235524608.db2.gz ZZWFSXKDMOLAFD-CMPLNLGQSA-N 2 1 266.351 3.215 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000353478678 283180245 /nfs/dbraw/zinc/18/02/45/283180245.db2.gz FUNGSFCNHMDXBT-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000353478678 283180249 /nfs/dbraw/zinc/18/02/49/283180249.db2.gz FUNGSFCNHMDXBT-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C(C)C ZINC000089594986 138343456 /nfs/dbraw/zinc/34/34/56/138343456.db2.gz FFBUQDLDCLBRCM-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(F)cc1F ZINC000093516277 138347002 /nfs/dbraw/zinc/34/70/02/138347002.db2.gz PFLKCGVRHCYARW-SWLSCSKDSA-N 2 1 282.378 3.365 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(C)C)CC1 ZINC000124463714 138375918 /nfs/dbraw/zinc/37/59/18/138375918.db2.gz DSMKCNOTGOEEQF-UHFFFAOYSA-N 2 1 263.429 3.340 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000125959534 138384572 /nfs/dbraw/zinc/38/45/72/138384572.db2.gz GHIKIELIIQGJPV-LSDHHAIUSA-N 2 1 282.472 3.043 20 0 CGADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423234889 236003949 /nfs/dbraw/zinc/00/39/49/236003949.db2.gz MMEMYABUBHAPBQ-AGIUHOORSA-N 2 1 289.448 3.130 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c2ccccc12 ZINC000423279034 236019395 /nfs/dbraw/zinc/01/93/95/236019395.db2.gz QVTZTFUQWKMPLM-YVEFUNNKSA-N 2 1 284.403 3.236 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423281306 236020951 /nfs/dbraw/zinc/02/09/51/236020951.db2.gz UEQYBFSTRXUNCA-HOTGVXAUSA-N 2 1 258.409 3.008 20 0 CGADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000423297312 236028079 /nfs/dbraw/zinc/02/80/79/236028079.db2.gz JSORKYUUBJPNOZ-RNFRBKRXSA-N 2 1 267.225 3.300 20 0 CGADMP [NH3+][C@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000423310729 236033870 /nfs/dbraw/zinc/03/38/70/236033870.db2.gz AWVBQOKNTWRQKS-HUUCEWRRSA-N 2 1 298.352 3.483 20 0 CGADMP [NH3+][C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000423321213 236038158 /nfs/dbraw/zinc/03/81/58/236038158.db2.gz NBFNRNNAQCRZFU-LSDHHAIUSA-N 2 1 264.800 3.118 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423334041 236042567 /nfs/dbraw/zinc/04/25/67/236042567.db2.gz QIARZOWBVSYBOJ-PBHICJAKSA-N 2 1 276.424 3.126 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000423368080 236053173 /nfs/dbraw/zinc/05/31/73/236053173.db2.gz NADKGQSBPYKHHW-KBPBESRZSA-N 2 1 254.377 3.351 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423373677 236054506 /nfs/dbraw/zinc/05/45/06/236054506.db2.gz JIJGENPSIAIIRJ-AGIUHOORSA-N 2 1 298.377 3.388 20 0 CGADMP Cc1ccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C[C@@H]3C)oc2c1 ZINC000423397212 236063507 /nfs/dbraw/zinc/06/35/07/236063507.db2.gz OGHPBWQEMLGLKA-YDHLFZDLSA-N 2 1 272.392 3.390 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000423399764 236064152 /nfs/dbraw/zinc/06/41/52/236064152.db2.gz UYXNKAXVWHMAQR-RYRKJORJSA-N 2 1 281.403 3.031 20 0 CGADMP C[C@@H]1C[N@H+]([C@H]2CCSc3c(F)cccc32)C[C@@]1(C)C[NH3+] ZINC000423503451 236088519 /nfs/dbraw/zinc/08/85/19/236088519.db2.gz DVHDXKUSLZSWIL-DIOULYMOSA-N 2 1 294.439 3.279 20 0 CGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000423514065 236090550 /nfs/dbraw/zinc/09/05/50/236090550.db2.gz LXKPYLQWPYWVFM-WMLDXEAASA-N 2 1 290.451 3.013 20 0 CGADMP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532876 236093375 /nfs/dbraw/zinc/09/33/75/236093375.db2.gz WCSWYVSIMDJWAG-HNNXBMFYSA-N 2 1 294.826 3.285 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424355644 236156564 /nfs/dbraw/zinc/15/65/64/236156564.db2.gz RCRDTUDCXNONDF-HZZCBIDNSA-N 2 1 284.447 3.285 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)s1 ZINC000424377461 236159228 /nfs/dbraw/zinc/15/92/28/236159228.db2.gz RGJMJLYIMPPCKN-IVZWLZJFSA-N 2 1 258.818 3.322 20 0 CGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1F)CC[NH2+]CC2 ZINC000424288685 236143063 /nfs/dbraw/zinc/14/30/63/236143063.db2.gz KZFNBUJPUPYJHD-GFCCVEGCSA-N 2 1 296.817 3.443 20 0 CGADMP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C2CCC2)o1 ZINC000425936461 236274545 /nfs/dbraw/zinc/27/45/45/236274545.db2.gz MVVKVJGMTRWRIA-LRDDRELGSA-N 2 1 264.413 3.217 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427128023 236322677 /nfs/dbraw/zinc/32/26/77/236322677.db2.gz JCEUCQKRUFVDGI-BBRMVZONSA-N 2 1 284.403 3.179 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000428277313 236387948 /nfs/dbraw/zinc/38/79/48/236387948.db2.gz NCJIVICIGZICAX-FVQBIDKESA-N 2 1 261.413 3.235 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000428277313 236387953 /nfs/dbraw/zinc/38/79/53/236387953.db2.gz NCJIVICIGZICAX-FVQBIDKESA-N 2 1 261.413 3.235 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1F ZINC000340472229 299288765 /nfs/dbraw/zinc/28/87/65/299288765.db2.gz HIOWMZWIKLFJRO-CABCVRRESA-N 2 1 293.430 3.383 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC000297776950 200279283 /nfs/dbraw/zinc/27/92/83/200279283.db2.gz MKPNWAJIOZOTJP-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC000297776950 200279284 /nfs/dbraw/zinc/27/92/84/200279284.db2.gz MKPNWAJIOZOTJP-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC000297776950 200279285 /nfs/dbraw/zinc/27/92/85/200279285.db2.gz MKPNWAJIOZOTJP-WBVHZDCISA-N 2 1 292.854 3.299 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC000178698143 189138399 /nfs/dbraw/zinc/13/83/99/189138399.db2.gz ASSTXRDXSIZFIR-GUYCJALGSA-N 2 1 269.392 3.105 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000178705324 189139070 /nfs/dbraw/zinc/13/90/70/189139070.db2.gz QGBUUWASKDSIIZ-STQMWFEESA-N 2 1 275.371 3.318 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000178786934 189145767 /nfs/dbraw/zinc/14/57/67/189145767.db2.gz JAMVDJUKWNPYRF-ZDUSSCGKSA-N 2 1 275.371 3.462 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000423275168 283586538 /nfs/dbraw/zinc/58/65/38/283586538.db2.gz MRKBOEGKGLHAPV-HNNXBMFYSA-N 2 1 268.404 3.221 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000179097481 189169528 /nfs/dbraw/zinc/16/95/28/189169528.db2.gz PKIBAMMQAVKSOI-CYBMUJFWSA-N 2 1 281.831 3.262 20 0 CGADMP CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241382 189291925 /nfs/dbraw/zinc/29/19/25/189291925.db2.gz ZRMXOJFHEYAFHJ-ZACQAIPSSA-N 2 1 290.451 3.225 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000119448936 370676380 /nfs/dbraw/zinc/67/63/80/370676380.db2.gz OLEVKTBAXHEHKN-IOASZLSFSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1Cl ZINC000119449254 370677181 /nfs/dbraw/zinc/67/71/81/370677181.db2.gz OLEVKTBAXHEHKN-DVOMOZLQSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2cccc(F)c2)CC[N@@H+]1C ZINC000182824635 189336034 /nfs/dbraw/zinc/33/60/34/189336034.db2.gz NZZDSVLJWPIUGV-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2cccc(F)c2)CC[N@H+]1C ZINC000182824635 189336035 /nfs/dbraw/zinc/33/60/35/189336035.db2.gz NZZDSVLJWPIUGV-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2cccc(F)c2)CC[NH+]1C ZINC000182824635 189336036 /nfs/dbraw/zinc/33/60/36/189336036.db2.gz NZZDSVLJWPIUGV-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2cccc(F)c2)CC[NH+]1C ZINC000182824635 189336037 /nfs/dbraw/zinc/33/60/37/189336037.db2.gz NZZDSVLJWPIUGV-PBHICJAKSA-N 2 1 278.415 3.173 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000449061307 239149685 /nfs/dbraw/zinc/14/96/85/239149685.db2.gz IFDOWAFGKSDEIJ-CABCVRRESA-N 2 1 264.413 3.065 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC000449107811 239183223 /nfs/dbraw/zinc/18/32/23/239183223.db2.gz OCGCTLJEJCGFAW-CVEARBPZSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1ccc2[nH+]ccc(NCC[N@H+](C)C(C)C)c2c1 ZINC000302177890 201383113 /nfs/dbraw/zinc/38/31/13/201383113.db2.gz XVSNYOZDOAVPMV-UHFFFAOYSA-N 2 1 257.381 3.295 20 0 CGADMP c1cnc2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2c1 ZINC000335634204 212348627 /nfs/dbraw/zinc/34/86/27/212348627.db2.gz NHCUIZLBIGIRDK-ROUUACIJSA-N 2 1 295.430 3.056 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1 ZINC000275611456 193085899 /nfs/dbraw/zinc/08/58/99/193085899.db2.gz QYBBRXACVGSDAC-NEPJUHHUSA-N 2 1 291.345 3.075 20 0 CGADMP c1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc(-c2ccncc2)c1 ZINC000335562862 212272008 /nfs/dbraw/zinc/27/20/08/212272008.db2.gz YUQQYQZHYPLVJZ-UHFFFAOYSA-N 2 1 293.414 3.077 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CC=CCC2)cn1 ZINC000121164759 370836465 /nfs/dbraw/zinc/83/64/65/370836465.db2.gz OAGYGZKNDJKKRN-HNNXBMFYSA-N 2 1 282.391 3.022 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404572 370858225 /nfs/dbraw/zinc/85/82/25/370858225.db2.gz POLOAIHAZJRPTP-RHSMWYFYSA-N 2 1 278.415 3.030 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404572 370858230 /nfs/dbraw/zinc/85/82/30/370858230.db2.gz POLOAIHAZJRPTP-RHSMWYFYSA-N 2 1 278.415 3.030 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404572 370858234 /nfs/dbraw/zinc/85/82/34/370858234.db2.gz POLOAIHAZJRPTP-RHSMWYFYSA-N 2 1 278.415 3.030 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@H]2CCc2ccccc2)CC[NH2+]C1 ZINC000261769179 291380820 /nfs/dbraw/zinc/38/08/20/291380820.db2.gz MLNWTDMVMAINFN-ROUUACIJSA-N 2 1 272.436 3.083 20 0 CGADMP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459341299 242080491 /nfs/dbraw/zinc/08/04/91/242080491.db2.gz JSRYIYFTLMYEDE-KRWDZBQOSA-N 2 1 284.447 3.482 20 0 CGADMP FC1(F)CCC(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000459348028 242082649 /nfs/dbraw/zinc/08/26/49/242082649.db2.gz VWSZXMLUEWPYEQ-HNNXBMFYSA-N 2 1 286.410 3.230 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000459727701 242193957 /nfs/dbraw/zinc/19/39/57/242193957.db2.gz HFOAIHKZOHYFIE-NXVRBGIVSA-N 2 1 290.426 3.393 20 0 CGADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc2cccnc12 ZINC000459780946 242229663 /nfs/dbraw/zinc/22/96/63/242229663.db2.gz MAOBQKMFKFRUDY-INIZCTEOSA-N 2 1 297.446 3.365 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459784612 242231669 /nfs/dbraw/zinc/23/16/69/242231669.db2.gz OCINTDRHFZHGMT-RDJZCZTQSA-N 2 1 290.451 3.035 20 0 CGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(F)c1 ZINC000275885776 193155261 /nfs/dbraw/zinc/15/52/61/193155261.db2.gz PWSMXUOQLUJAFV-INIZCTEOSA-N 2 1 275.371 3.462 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479120472 243094618 /nfs/dbraw/zinc/09/46/18/243094618.db2.gz UCGXLPMAMUNPCS-BLLLJJGKSA-N 2 1 278.827 3.259 20 0 CGADMP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000480599709 243155463 /nfs/dbraw/zinc/15/54/63/243155463.db2.gz CLVJXWWHORMPIQ-IJEWVQPXSA-N 2 1 252.446 3.133 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)[C@H]1CCOC1 ZINC000482868914 243247929 /nfs/dbraw/zinc/24/79/29/243247929.db2.gz MFERXAODZGCNQW-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[C@H]1CCOC1 ZINC000482868914 243247933 /nfs/dbraw/zinc/24/79/33/243247933.db2.gz MFERXAODZGCNQW-IKGGRYGDSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000482251001 243221131 /nfs/dbraw/zinc/22/11/31/243221131.db2.gz VVHVQFYRZJURTL-QAPCUYQASA-N 2 1 274.452 3.328 20 0 CGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000482251001 243221134 /nfs/dbraw/zinc/22/11/34/243221134.db2.gz VVHVQFYRZJURTL-QAPCUYQASA-N 2 1 274.452 3.328 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000482436033 243225602 /nfs/dbraw/zinc/22/56/02/243225602.db2.gz BQUPOQMSWXHOIJ-XJKSGUPXSA-N 2 1 278.415 3.033 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000484137234 243307684 /nfs/dbraw/zinc/30/76/84/243307684.db2.gz FXRNTIKCLMBIBM-XJKSGUPXSA-N 2 1 292.854 3.301 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1C(C)C ZINC000124125840 370918973 /nfs/dbraw/zinc/91/89/73/370918973.db2.gz DSTWIPLNTBKUKZ-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1C(C)C ZINC000124125840 370918977 /nfs/dbraw/zinc/91/89/77/370918977.db2.gz DSTWIPLNTBKUKZ-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP CCN1CCC([N@@H+](C)Cc2coc3ccccc23)CC1 ZINC000125218017 370932830 /nfs/dbraw/zinc/93/28/30/370932830.db2.gz IITZRTAJNRLVNZ-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2coc3ccccc23)CC1 ZINC000125218017 370932840 /nfs/dbraw/zinc/93/28/40/370932840.db2.gz IITZRTAJNRLVNZ-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2coc3ccccc23)CC1 ZINC000125218017 370932846 /nfs/dbraw/zinc/93/28/46/370932846.db2.gz IITZRTAJNRLVNZ-UHFFFAOYSA-N 2 1 272.392 3.349 20 0 CGADMP CCC(CC)[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+](C)C ZINC000019988126 368792184 /nfs/dbraw/zinc/79/21/84/368792184.db2.gz XVUGPJWZDNYBNO-GDBMZVCRSA-N 2 1 252.446 3.299 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996350 369046446 /nfs/dbraw/zinc/04/64/46/369046446.db2.gz ZTYFXNHGVLVJPE-JKSUJKDBSA-N 2 1 276.449 3.125 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996350 369046451 /nfs/dbraw/zinc/04/64/51/369046451.db2.gz ZTYFXNHGVLVJPE-JKSUJKDBSA-N 2 1 276.449 3.125 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000036997011 369048769 /nfs/dbraw/zinc/04/87/69/369048769.db2.gz DAIWEKBTOAOYMR-XAWIXRBMSA-N 2 1 288.410 3.288 20 0 CGADMP Fc1cccc(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000036997011 369048772 /nfs/dbraw/zinc/04/87/72/369048772.db2.gz DAIWEKBTOAOYMR-XAWIXRBMSA-N 2 1 288.410 3.288 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037099278 369061285 /nfs/dbraw/zinc/06/12/85/369061285.db2.gz MEOWFLCQLXXCHB-CJQNXBEJSA-N 2 1 292.389 3.426 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649169 369094187 /nfs/dbraw/zinc/09/41/87/369094187.db2.gz OSAGBIACIPGEEJ-GUYCJALGSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000037648854 369095754 /nfs/dbraw/zinc/09/57/54/369095754.db2.gz PKMNDOOIMHWOES-ZIAGYGMSSA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC000037067412 369057399 /nfs/dbraw/zinc/05/73/99/369057399.db2.gz IGJDLVUFFUPHSY-MMNRESRNSA-N 2 1 288.435 3.361 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000042323349 369213548 /nfs/dbraw/zinc/21/35/48/369213548.db2.gz JMMSTRBHXAWQMY-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000042323349 369213553 /nfs/dbraw/zinc/21/35/53/369213553.db2.gz JMMSTRBHXAWQMY-DLBZAZTESA-N 2 1 258.409 3.020 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149241 369478306 /nfs/dbraw/zinc/47/83/06/369478306.db2.gz TUKOILTWZRDDDZ-JRPNMDOOSA-N 2 1 284.806 3.297 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149241 369478310 /nfs/dbraw/zinc/47/83/10/369478310.db2.gz TUKOILTWZRDDDZ-JRPNMDOOSA-N 2 1 284.806 3.297 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000128043819 370958826 /nfs/dbraw/zinc/95/88/26/370958826.db2.gz FANVVYSXIZNYQC-QCODTGAPSA-N 2 1 250.430 3.028 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000061571129 369600487 /nfs/dbraw/zinc/60/04/87/369600487.db2.gz ZBNFZTQCQARRFE-QGZVFWFLSA-N 2 1 290.476 3.136 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000070150156 369781838 /nfs/dbraw/zinc/78/18/38/369781838.db2.gz VPYUQOOFASNSIL-INIZCTEOSA-N 2 1 287.382 3.077 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148431 369782826 /nfs/dbraw/zinc/78/28/26/369782826.db2.gz HCAIWNFIMCJKKG-MRXNPFEDSA-N 2 1 276.424 3.177 20 0 CGADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169595 369786115 /nfs/dbraw/zinc/78/61/15/369786115.db2.gz JXYJWVRPGMRXJU-VXGBXAGGSA-N 2 1 268.351 3.087 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000070169720 369786124 /nfs/dbraw/zinc/78/61/24/369786124.db2.gz KCCPZKITPBCPHZ-GFCCVEGCSA-N 2 1 297.240 3.010 20 0 CGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000070171873 369786137 /nfs/dbraw/zinc/78/61/37/369786137.db2.gz RHOAZGPWTACJCW-KSSFIOAISA-N 2 1 268.404 3.399 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000070169452 369786938 /nfs/dbraw/zinc/78/69/38/369786938.db2.gz IPHUVCOLXYNARI-OAHLLOKOSA-N 2 1 268.404 3.401 20 0 CGADMP Cc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000070174130 369788259 /nfs/dbraw/zinc/78/82/59/369788259.db2.gz CZOSFHLQAFEZMZ-IAGOWNOFSA-N 2 1 290.451 3.132 20 0 CGADMP CC1(C)CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079626961 369973323 /nfs/dbraw/zinc/97/33/23/369973323.db2.gz RBIKNFBWJZYSOU-ZDUSSCGKSA-N 2 1 250.430 3.029 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000090714592 370065520 /nfs/dbraw/zinc/06/55/20/370065520.db2.gz VLXVUKBGONWZNK-UONOGXRCSA-N 2 1 294.826 3.065 20 0 CGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000090714592 370065522 /nfs/dbraw/zinc/06/55/22/370065522.db2.gz VLXVUKBGONWZNK-UONOGXRCSA-N 2 1 294.826 3.065 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C)C1 ZINC000219686287 376200619 /nfs/dbraw/zinc/20/06/19/376200619.db2.gz NTHGEDOAYVFKNK-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C)C1 ZINC000219686287 376200624 /nfs/dbraw/zinc/20/06/24/376200624.db2.gz NTHGEDOAYVFKNK-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000112523770 370430790 /nfs/dbraw/zinc/43/07/90/370430790.db2.gz XASOSQVUPPQZHP-MRXNPFEDSA-N 2 1 295.430 3.181 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000112523770 370430794 /nfs/dbraw/zinc/43/07/94/370430794.db2.gz XASOSQVUPPQZHP-MRXNPFEDSA-N 2 1 295.430 3.181 20 0 CGADMP C[C@@H]1C[C@@H](CC[NH2+]CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000513511545 245082762 /nfs/dbraw/zinc/08/27/62/245082762.db2.gz JQLSYHRBJSKIOJ-CRAIPNDOSA-N 2 1 272.436 3.287 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000513654496 245087656 /nfs/dbraw/zinc/08/76/56/245087656.db2.gz IUACPNHKQYUDCU-OWCLPIDISA-N 2 1 278.827 3.302 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)s2)[C@@H]2CCC[C@@H]21 ZINC000513691195 245091321 /nfs/dbraw/zinc/09/13/21/245091321.db2.gz SLHWCPVSCNDXDX-IHRRRGAJSA-N 2 1 298.883 3.406 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000514081152 245106816 /nfs/dbraw/zinc/10/68/16/245106816.db2.gz AYFISSVVPYUSEG-DDBAPUKQSA-N 2 1 272.436 3.253 20 0 CGADMP Cc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000131933888 371140835 /nfs/dbraw/zinc/14/08/35/371140835.db2.gz QHVHEIXTTWFRKO-IRXDYDNUSA-N 2 1 252.361 3.229 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000135147701 371395898 /nfs/dbraw/zinc/39/58/98/371395898.db2.gz SWGKEDOBIBGTHC-QFBILLFUSA-N 2 1 286.463 3.472 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000149626806 371529311 /nfs/dbraw/zinc/52/93/11/371529311.db2.gz DYCATMNNKBJIIA-AHIWAGSCSA-N 2 1 274.383 3.029 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(CC)nc2C)C1 ZINC000151098042 371568525 /nfs/dbraw/zinc/56/85/25/371568525.db2.gz QYAWTROVRDODOS-GXTWGEPZSA-N 2 1 295.496 3.396 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421826726 371649364 /nfs/dbraw/zinc/64/93/64/371649364.db2.gz UMLJQZCIRAITOL-VXGBXAGGSA-N 2 1 292.814 3.227 20 0 CGADMP COC1([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)CCCCC1 ZINC000421831403 371655957 /nfs/dbraw/zinc/65/59/57/371655957.db2.gz LHCKCOWFTRAHAY-HNNXBMFYSA-N 2 1 293.455 3.299 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccncc1Cl ZINC000421863715 371686632 /nfs/dbraw/zinc/68/66/32/371686632.db2.gz XNZGKTCKFRXVBV-CHWSQXEVSA-N 2 1 281.831 3.118 20 0 CGADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1F ZINC000422561466 371749691 /nfs/dbraw/zinc/74/96/91/371749691.db2.gz LIOJFYOZQOIWDX-IPYPFGDCSA-N 2 1 294.414 3.030 20 0 CGADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1F ZINC000422561466 371749700 /nfs/dbraw/zinc/74/97/00/371749700.db2.gz LIOJFYOZQOIWDX-IPYPFGDCSA-N 2 1 294.414 3.030 20 0 CGADMP C[C@H](CC1CCCCC1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422565133 371751805 /nfs/dbraw/zinc/75/18/05/371751805.db2.gz XRTXODIMQGLBTF-OAHLLOKOSA-N 2 1 264.457 3.421 20 0 CGADMP CSc1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422626027 371755003 /nfs/dbraw/zinc/75/50/03/371755003.db2.gz DBLKXLNXKCUFPZ-NFAWXSAZSA-N 2 1 278.465 3.214 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000422702938 371759056 /nfs/dbraw/zinc/75/90/56/371759056.db2.gz LVZUHIATDSSVAK-AWEZNQCLSA-N 2 1 269.392 3.004 20 0 CGADMP Cc1ccccc1[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422718094 371765094 /nfs/dbraw/zinc/76/50/94/371765094.db2.gz WMIJQYSXUDHTGU-XIRDDKMYSA-N 2 1 260.425 3.422 20 0 CGADMP CCC1CCC(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422719082 371767574 /nfs/dbraw/zinc/76/75/74/371767574.db2.gz QRTPPMUGLQKTMY-IYXRBSQSSA-N 2 1 261.413 3.361 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337333499 214013381 /nfs/dbraw/zinc/01/33/81/214013381.db2.gz JSVXJKMLDBXPOR-RYRKJORJSA-N 2 1 287.451 3.039 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)COC(C)C)c1 ZINC000337341255 214016967 /nfs/dbraw/zinc/01/69/67/214016967.db2.gz QHGRTUCRTYQQSW-HNNXBMFYSA-N 2 1 278.440 3.041 20 0 CGADMP CC(C)[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422777706 371801884 /nfs/dbraw/zinc/80/18/84/371801884.db2.gz CTJLTHPGXJNLFO-APHBMKBZSA-N 2 1 264.388 3.253 20 0 CGADMP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)C3C[NH2+]C3)oc21 ZINC000422781337 371804450 /nfs/dbraw/zinc/80/44/50/371804450.db2.gz IMNPJUTUJWYCJX-NEPJUHHUSA-N 2 1 288.391 3.090 20 0 CGADMP Cc1cc(C)cc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422786001 371805733 /nfs/dbraw/zinc/80/57/33/371805733.db2.gz QAYOAKCXYJRAPV-AWEZNQCLSA-N 2 1 269.392 3.004 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1OC ZINC000422837163 371834399 /nfs/dbraw/zinc/83/43/99/371834399.db2.gz SULTWCBRUCUNRV-LBEMJPCMSA-N 2 1 274.408 3.019 20 0 CGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422799272 371816650 /nfs/dbraw/zinc/81/66/50/371816650.db2.gz VZWGVEQVMSTMND-ZIAGYGMSSA-N 2 1 286.341 3.455 20 0 CGADMP CC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(C)c1 ZINC000422917918 371868372 /nfs/dbraw/zinc/86/83/72/371868372.db2.gz GDMBGWDNSHJISK-GJZGRUSLSA-N 2 1 299.418 3.311 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000422920925 371869682 /nfs/dbraw/zinc/86/96/82/371869682.db2.gz NXWMIHOSZAGESL-AEJSXWLSSA-N 2 1 258.768 3.256 20 0 CGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422919929 371870053 /nfs/dbraw/zinc/87/00/53/371870053.db2.gz LAEJKGVHLJCSCJ-FHLIZLRMSA-N 2 1 287.451 3.353 20 0 CGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422933458 371877486 /nfs/dbraw/zinc/87/74/86/371877486.db2.gz HTKLFEJSDXVYNH-KBPBESRZSA-N 2 1 297.240 3.199 20 0 CGADMP CSCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000154778677 371879253 /nfs/dbraw/zinc/87/92/53/371879253.db2.gz OGLVTIFNYNGDPQ-LBPRGKRZSA-N 2 1 275.421 3.194 20 0 CGADMP CC[C@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000422945378 371884265 /nfs/dbraw/zinc/88/42/65/371884265.db2.gz UIOPOAVJLSWAOK-RYUDHWBXSA-N 2 1 272.845 3.064 20 0 CGADMP Fc1cccc2c1SCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422845675 371838520 /nfs/dbraw/zinc/83/85/20/371838520.db2.gz OOXDGLLZOVZRNR-OUEWMDHJSA-N 2 1 292.423 3.235 20 0 CGADMP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423060479 371939818 /nfs/dbraw/zinc/93/98/18/371939818.db2.gz OMUNGDWXDPEAGX-IRXDYDNUSA-N 2 1 289.467 3.281 20 0 CGADMP C[C@@H]([NH2+]CCCc1cccc(Cl)c1)c1c[nH+]ccc1N ZINC000422950797 371888594 /nfs/dbraw/zinc/88/85/94/371888594.db2.gz YZJRMJWFRUBUEQ-GFCCVEGCSA-N 2 1 289.810 3.431 20 0 CGADMP C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000422956252 371890843 /nfs/dbraw/zinc/89/08/43/371890843.db2.gz OXGJBIOZRZPRLM-ABAIWWIYSA-N 2 1 284.806 3.142 20 0 CGADMP CC[C@H]([NH2+]CCc1cccc(F)c1F)[C@@H]1CCCC[NH2+]1 ZINC000422954149 371891510 /nfs/dbraw/zinc/89/15/10/371891510.db2.gz GYFRPEYWTYGAGU-GJZGRUSLSA-N 2 1 282.378 3.018 20 0 CGADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423008449 371912762 /nfs/dbraw/zinc/91/27/62/371912762.db2.gz AIQMWFGCBPNYBX-BLLLJJGKSA-N 2 1 294.389 3.117 20 0 CGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(F)(F)F ZINC000155267727 371918843 /nfs/dbraw/zinc/91/88/43/371918843.db2.gz GMMUQGPVFCMXPA-OLZOCXBDSA-N 2 1 278.362 3.278 20 0 CGADMP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000155373625 371924928 /nfs/dbraw/zinc/92/49/28/371924928.db2.gz JIBCNKPSZQYEKW-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000155373625 371924935 /nfs/dbraw/zinc/92/49/35/371924935.db2.gz JIBCNKPSZQYEKW-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000155373625 371924940 /nfs/dbraw/zinc/92/49/40/371924940.db2.gz JIBCNKPSZQYEKW-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000155373625 371924946 /nfs/dbraw/zinc/92/49/46/371924946.db2.gz JIBCNKPSZQYEKW-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000344096907 217046967 /nfs/dbraw/zinc/04/69/67/217046967.db2.gz UYEVNKLAXRWMJC-SJLPKXTDSA-N 2 1 297.446 3.304 20 0 CGADMP Cc1ccncc1CCC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000290184997 371926699 /nfs/dbraw/zinc/92/66/99/371926699.db2.gz ZMNYKAAIBMBNFI-ZIAGYGMSSA-N 2 1 264.438 3.148 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2cc(C3CC3)ccn2)[C@@H](C)C1 ZINC000290184621 371926997 /nfs/dbraw/zinc/92/69/97/371926997.db2.gz NUZUVVDFBZTEGI-WFASDCNBSA-N 2 1 259.397 3.101 20 0 CGADMP CC[N@@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H](C)C1 ZINC000290184621 371927005 /nfs/dbraw/zinc/92/70/05/371927005.db2.gz NUZUVVDFBZTEGI-WFASDCNBSA-N 2 1 259.397 3.101 20 0 CGADMP CC[N@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@@H](C)C1 ZINC000290184621 371927013 /nfs/dbraw/zinc/92/70/13/371927013.db2.gz NUZUVVDFBZTEGI-WFASDCNBSA-N 2 1 259.397 3.101 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000155469551 371930139 /nfs/dbraw/zinc/93/01/39/371930139.db2.gz NLAXUNCPYCWPAB-XYJFISCASA-N 2 1 274.452 3.164 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423046772 371931572 /nfs/dbraw/zinc/93/15/72/371931572.db2.gz FFUKNCVGDYRAKR-FMKPAKJESA-N 2 1 278.465 3.206 20 0 CGADMP CC[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423096533 371960402 /nfs/dbraw/zinc/96/04/02/371960402.db2.gz PEBNOJTXUPJXBU-STECZYCISA-N 2 1 294.389 3.331 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCCC1 ZINC000156175305 371965999 /nfs/dbraw/zinc/96/59/99/371965999.db2.gz UTLJIIGMPAXHCP-YCPHGPKFSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCCC1 ZINC000156175305 371966006 /nfs/dbraw/zinc/96/60/06/371966006.db2.gz UTLJIIGMPAXHCP-YCPHGPKFSA-N 2 1 252.446 3.418 20 0 CGADMP CSc1cccc(F)c1CN[C@@H](C)c1cnccc1N ZINC000423110799 371973034 /nfs/dbraw/zinc/97/30/34/371973034.db2.gz VFKDCYHAVROUFV-JTQLQIEISA-N 2 1 291.395 3.206 20 0 CGADMP Cc1ccc(CC[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000156325680 371975279 /nfs/dbraw/zinc/97/52/79/371975279.db2.gz ZRLWUBKEVICFMS-GOSISDBHSA-N 2 1 282.387 3.086 20 0 CGADMP FC1(F)CC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423127804 371981310 /nfs/dbraw/zinc/98/13/10/371981310.db2.gz KDRBTZWYKUIPEI-CABCVRRESA-N 2 1 280.362 3.115 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290468405 371995330 /nfs/dbraw/zinc/99/53/30/371995330.db2.gz NIJQLDVXQFABHI-RVKKMQEKSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290468405 371995334 /nfs/dbraw/zinc/99/53/34/371995334.db2.gz NIJQLDVXQFABHI-RVKKMQEKSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000290468405 371995336 /nfs/dbraw/zinc/99/53/36/371995336.db2.gz NIJQLDVXQFABHI-RVKKMQEKSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000290468405 371995340 /nfs/dbraw/zinc/99/53/40/371995340.db2.gz NIJQLDVXQFABHI-RVKKMQEKSA-N 2 1 292.442 3.419 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)c1ccc(F)cc1 ZINC000290488527 372001041 /nfs/dbraw/zinc/00/10/41/372001041.db2.gz OLCWDUQMECIYCA-HFTRVMKXSA-N 2 1 290.426 3.345 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3occc32)CCCCCC1 ZINC000423202860 372026344 /nfs/dbraw/zinc/02/63/44/372026344.db2.gz RMWJLVRNPVPSGJ-CQSZACIVSA-N 2 1 262.397 3.298 20 0 CGADMP CCC[N@@H+](CCSc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000037538873 541865777 /nfs/dbraw/zinc/86/57/77/541865777.db2.gz NPFQTPMNLKNSGS-UHFFFAOYSA-N 2 1 296.455 3.382 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1csc(Cl)c1 ZINC000423202321 372027188 /nfs/dbraw/zinc/02/71/88/372027188.db2.gz AQNZBRFPIVCEAT-ZJUUUORDSA-N 2 1 258.818 3.052 20 0 CGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423275505 372046026 /nfs/dbraw/zinc/04/60/26/372046026.db2.gz NEBYLBSXKNRCOR-DOMZBBRYSA-N 2 1 296.842 3.307 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423284379 372047559 /nfs/dbraw/zinc/04/75/59/372047559.db2.gz YGDJGKRLXSQUKP-ZANVPECISA-N 2 1 287.234 3.426 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423175982 372005245 /nfs/dbraw/zinc/00/52/45/372005245.db2.gz BJBXCJBKANILAX-NSHDSACASA-N 2 1 282.815 3.141 20 0 CGADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423186262 372012841 /nfs/dbraw/zinc/01/28/41/372012841.db2.gz KUCAUTSFKBWPPC-KRWDZBQOSA-N 2 1 275.440 3.120 20 0 CGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423449499 372065301 /nfs/dbraw/zinc/06/53/01/372065301.db2.gz RRQBZENIXHYSBA-QYTUQVAYSA-N 2 1 297.240 3.323 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344294491 217137019 /nfs/dbraw/zinc/13/70/19/217137019.db2.gz ITTZFDXHQJUKPO-HIFRSBDPSA-N 2 1 250.430 3.053 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428880308 372279906 /nfs/dbraw/zinc/27/99/06/372279906.db2.gz JWNBSYNEPCPDJW-UHFFFAOYSA-N 2 1 294.386 3.444 20 0 CGADMP COc1ccc(C[N@@H+](CCn2ccnc2)[C@@H](C)C2CC2)cc1 ZINC000161664228 372344084 /nfs/dbraw/zinc/34/40/84/372344084.db2.gz IVXAOSPXBNWOSF-HNNXBMFYSA-N 2 1 299.418 3.192 20 0 CGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Cl)s1 ZINC000293765497 372475151 /nfs/dbraw/zinc/47/51/51/372475151.db2.gz SINMFWQMZJHRQS-VHSXEESVSA-N 2 1 260.834 3.250 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccsc1 ZINC000162828401 372427588 /nfs/dbraw/zinc/42/75/88/372427588.db2.gz ZJNHDOYLGXXVGY-HUUCEWRRSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000162828401 372427595 /nfs/dbraw/zinc/42/75/95/372427595.db2.gz ZJNHDOYLGXXVGY-HUUCEWRRSA-N 2 1 264.438 3.369 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000162828401 372427600 /nfs/dbraw/zinc/42/76/00/372427600.db2.gz ZJNHDOYLGXXVGY-HUUCEWRRSA-N 2 1 264.438 3.369 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000163233944 372456104 /nfs/dbraw/zinc/45/61/04/372456104.db2.gz JTVWMZZQXRSGSX-RYUDHWBXSA-N 2 1 260.406 3.070 20 0 CGADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccncc1 ZINC000163622647 372482417 /nfs/dbraw/zinc/48/24/17/372482417.db2.gz IWZMIYXXBALLPV-QGZVFWFLSA-N 2 1 275.440 3.243 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000163305170 372460150 /nfs/dbraw/zinc/46/01/50/372460150.db2.gz BCTVFHQATLAVTD-HKUYNNGSSA-N 2 1 286.463 3.248 20 0 CGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163425366 372469076 /nfs/dbraw/zinc/46/90/76/372469076.db2.gz WOLWMBAXTNVAAY-JGGQBBKZSA-N 2 1 264.388 3.194 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000164581402 372523309 /nfs/dbraw/zinc/52/33/09/372523309.db2.gz SZGJBOXVBCPPPI-UHFFFAOYSA-N 2 1 287.451 3.386 20 0 CGADMP C[NH+]1CCC(N[C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000294910878 372678772 /nfs/dbraw/zinc/67/87/72/372678772.db2.gz APPRCXHCYCRAQP-MRXNPFEDSA-N 2 1 280.362 3.026 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000294910878 372678777 /nfs/dbraw/zinc/67/87/77/372678777.db2.gz APPRCXHCYCRAQP-MRXNPFEDSA-N 2 1 280.362 3.026 20 0 CGADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000435379761 372753793 /nfs/dbraw/zinc/75/37/93/372753793.db2.gz KRGZAUGEWYEELC-MRXNPFEDSA-N 2 1 296.414 3.143 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000437109106 372844826 /nfs/dbraw/zinc/84/48/26/372844826.db2.gz WBJLMBDAJFWZJK-WOPDTQHZSA-N 2 1 266.351 3.036 20 0 CGADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000437109106 372844831 /nfs/dbraw/zinc/84/48/31/372844831.db2.gz WBJLMBDAJFWZJK-WOPDTQHZSA-N 2 1 266.351 3.036 20 0 CGADMP C[N@H+](CC[NH2+]CCCCOc1ccccc1)C1CCCC1 ZINC000438213642 372914903 /nfs/dbraw/zinc/91/49/03/372914903.db2.gz KQIHFPAPKMGHMS-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP C[N@@H+](CC[NH2+]CCCCOc1ccccc1)C1CCCC1 ZINC000438213642 372914912 /nfs/dbraw/zinc/91/49/12/372914912.db2.gz KQIHFPAPKMGHMS-UHFFFAOYSA-N 2 1 290.451 3.310 20 0 CGADMP C[N@H+](Cc1ccccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000172534352 372984500 /nfs/dbraw/zinc/98/45/00/372984500.db2.gz ATWABMBCQBOUGB-UHFFFAOYSA-N 2 1 298.377 3.062 20 0 CGADMP Cc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)s1 ZINC000172582953 372990590 /nfs/dbraw/zinc/99/05/90/372990590.db2.gz SHBDHUWPJUQPTB-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)s1 ZINC000172582953 372990598 /nfs/dbraw/zinc/99/05/98/372990598.db2.gz SHBDHUWPJUQPTB-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000172582953 372990606 /nfs/dbraw/zinc/99/06/06/372990606.db2.gz SHBDHUWPJUQPTB-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000172582953 372990612 /nfs/dbraw/zinc/99/06/12/372990612.db2.gz SHBDHUWPJUQPTB-AWEZNQCLSA-N 2 1 266.454 3.139 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000172848922 373047146 /nfs/dbraw/zinc/04/71/46/373047146.db2.gz XGVYYZTWDBAIJQ-KBXCAEBGSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC000172848922 373047151 /nfs/dbraw/zinc/04/71/51/373047151.db2.gz XGVYYZTWDBAIJQ-KBXCAEBGSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)CC[NH+]1C ZINC000172848922 373047158 /nfs/dbraw/zinc/04/71/58/373047158.db2.gz XGVYYZTWDBAIJQ-KBXCAEBGSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)CC[NH+]1C ZINC000172848922 373047165 /nfs/dbraw/zinc/04/71/65/373047165.db2.gz XGVYYZTWDBAIJQ-KBXCAEBGSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755923 373073510 /nfs/dbraw/zinc/07/35/10/373073510.db2.gz JODOEUWQXXTPIY-MCIONIFRSA-N 2 1 285.391 3.072 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755923 373073513 /nfs/dbraw/zinc/07/35/13/373073513.db2.gz JODOEUWQXXTPIY-MCIONIFRSA-N 2 1 285.391 3.072 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000442918306 373127104 /nfs/dbraw/zinc/12/71/04/373127104.db2.gz GOHZNBPAOUYLOY-CYBMUJFWSA-N 2 1 274.433 3.462 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000442918087 373128127 /nfs/dbraw/zinc/12/81/27/373128127.db2.gz FSBJUXVFIVCQCI-QDOCKXBDSA-N 2 1 280.362 3.039 20 0 CGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000443057864 373145462 /nfs/dbraw/zinc/14/54/62/373145462.db2.gz ILZBNDUXJJNFPA-GFCCVEGCSA-N 2 1 284.806 3.082 20 0 CGADMP CC(C)CCc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443056881 373146641 /nfs/dbraw/zinc/14/66/41/373146641.db2.gz DTNIXGMZHVECKX-CQSZACIVSA-N 2 1 295.496 3.293 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CC12CCC2 ZINC000444612353 373212135 /nfs/dbraw/zinc/21/21/35/373212135.db2.gz VREBFKQKXIGDAL-MRXNPFEDSA-N 2 1 264.457 3.375 20 0 CGADMP c1cc2cc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c[nH+]1 ZINC000296665383 373213260 /nfs/dbraw/zinc/21/32/60/373213260.db2.gz XZELEZUDJSXPBW-IAGOWNOFSA-N 2 1 267.376 3.274 20 0 CGADMP CCc1ccccc1CC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000444635375 373217170 /nfs/dbraw/zinc/21/71/70/373217170.db2.gz ATHZAFUWCCBQSQ-UHFFFAOYSA-N 2 1 274.452 3.208 20 0 CGADMP CCc1ccccc1CC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000444635375 373217173 /nfs/dbraw/zinc/21/71/73/373217173.db2.gz ATHZAFUWCCBQSQ-UHFFFAOYSA-N 2 1 274.452 3.208 20 0 CGADMP Cc1ccc(CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000444171420 373173052 /nfs/dbraw/zinc/17/30/52/373173052.db2.gz VXYFNJGGEWQEFK-GOSISDBHSA-N 2 1 274.452 3.344 20 0 CGADMP Cc1ccc(CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000444171420 373173053 /nfs/dbraw/zinc/17/30/53/373173053.db2.gz VXYFNJGGEWQEFK-GOSISDBHSA-N 2 1 274.452 3.344 20 0 CGADMP Cc1ccc(CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000444171420 373173054 /nfs/dbraw/zinc/17/30/54/373173054.db2.gz VXYFNJGGEWQEFK-GOSISDBHSA-N 2 1 274.452 3.344 20 0 CGADMP CCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000296558451 373175515 /nfs/dbraw/zinc/17/55/15/373175515.db2.gz CIYFCSFFZCLTOO-UHFFFAOYSA-N 2 1 272.436 3.226 20 0 CGADMP CN(Cc1ccccn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174397421 373307105 /nfs/dbraw/zinc/30/71/05/373307105.db2.gz FBTHZRQPWRKANY-SFHVURJKSA-N 2 1 295.430 3.036 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000175911626 373537369 /nfs/dbraw/zinc/53/73/69/373537369.db2.gz QZPYHDRGTFPUQD-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175911626 373537377 /nfs/dbraw/zinc/53/73/77/373537377.db2.gz QZPYHDRGTFPUQD-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175911626 373537388 /nfs/dbraw/zinc/53/73/88/373537388.db2.gz QZPYHDRGTFPUQD-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000175911626 373537399 /nfs/dbraw/zinc/53/73/99/373537399.db2.gz QZPYHDRGTFPUQD-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP Cc1ccccc1CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000175911626 373537410 /nfs/dbraw/zinc/53/74/10/373537410.db2.gz QZPYHDRGTFPUQD-AEFFLSMTSA-N 2 1 274.452 3.342 20 0 CGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448074017 373547298 /nfs/dbraw/zinc/54/72/98/373547298.db2.gz IUFFGSGQEZTMKQ-ZIAGYGMSSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](CC[NH2+][C@@H](C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000177394778 373680611 /nfs/dbraw/zinc/68/06/11/373680611.db2.gz XIMQYAVWHKYJEW-CABCVRRESA-N 2 1 260.425 3.285 20 0 CGADMP Cc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000353649702 220226364 /nfs/dbraw/zinc/22/63/64/220226364.db2.gz TXRGYOBBUHICMN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000353649702 220226369 /nfs/dbraw/zinc/22/63/69/220226369.db2.gz TXRGYOBBUHICMN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000353649702 220226370 /nfs/dbraw/zinc/22/63/70/220226370.db2.gz TXRGYOBBUHICMN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP Cc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000353649702 220226374 /nfs/dbraw/zinc/22/63/74/220226374.db2.gz TXRGYOBBUHICMN-QGZVFWFLSA-N 2 1 260.425 3.301 20 0 CGADMP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000449593436 373833764 /nfs/dbraw/zinc/83/37/64/373833764.db2.gz PETWNJZVDPUOCT-MOPGFXCFSA-N 2 1 284.447 3.150 20 0 CGADMP C[N@@H+](CCCCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000179191912 373844453 /nfs/dbraw/zinc/84/44/53/373844453.db2.gz OBMKDKUFCSAJDB-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP C[NH+](CCCCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000179191912 373844461 /nfs/dbraw/zinc/84/44/61/373844461.db2.gz OBMKDKUFCSAJDB-SFHVURJKSA-N 2 1 274.452 3.283 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449785044 373916279 /nfs/dbraw/zinc/91/62/79/373916279.db2.gz ZNEWEIKZSRBLPG-HNNXBMFYSA-N 2 1 290.451 3.177 20 0 CGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449785044 373916284 /nfs/dbraw/zinc/91/62/84/373916284.db2.gz ZNEWEIKZSRBLPG-HNNXBMFYSA-N 2 1 290.451 3.177 20 0 CGADMP CCC[C@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180363264 373995566 /nfs/dbraw/zinc/99/55/66/373995566.db2.gz JWDSZMBANOHWTA-HOTGVXAUSA-N 2 1 252.446 3.373 20 0 CGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000181802895 374173358 /nfs/dbraw/zinc/17/33/58/374173358.db2.gz GHQREAQIQCDPKU-NVXWUHKLSA-N 2 1 274.452 3.427 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2=CCCC2)CC[N@H+]1C ZINC000308752910 374178438 /nfs/dbraw/zinc/17/84/38/374178438.db2.gz DPSZTQKZEWAAPY-DZGCQCFKSA-N 2 1 250.430 3.195 20 0 CGADMP C[C@@H]([NH2+]CCCCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309919905 374204332 /nfs/dbraw/zinc/20/43/32/374204332.db2.gz QIZWGCPMPKAIEK-WBVHZDCISA-N 2 1 278.415 3.236 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310860153 374227113 /nfs/dbraw/zinc/22/71/13/374227113.db2.gz CKLBJUWDKVWOFT-IUODEOHRSA-N 2 1 266.816 3.065 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000311805549 374256812 /nfs/dbraw/zinc/25/68/12/374256812.db2.gz AJYOTZHRJXRIBP-KBPBESRZSA-N 2 1 266.404 3.075 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000311805549 374256819 /nfs/dbraw/zinc/25/68/19/374256819.db2.gz AJYOTZHRJXRIBP-KBPBESRZSA-N 2 1 266.404 3.075 20 0 CGADMP CSC1(C[NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCC1 ZINC000311361865 374239834 /nfs/dbraw/zinc/23/98/34/374239834.db2.gz BELOCWAARMSYTG-CABCVRRESA-N 2 1 284.513 3.372 20 0 CGADMP COC1(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000318908311 374343492 /nfs/dbraw/zinc/34/34/92/374343492.db2.gz AZFKPVHPYLOUON-UHFFFAOYSA-N 2 1 290.451 3.057 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CCN(CCOC2CCCCCC2)C1 ZINC000081568368 541926187 /nfs/dbraw/zinc/92/61/87/541926187.db2.gz GPRRTEXSZZSYBF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOC2CCCCCC2)C1 ZINC000081568368 541926192 /nfs/dbraw/zinc/92/61/92/541926192.db2.gz GPRRTEXSZZSYBF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOC2CCCCCC2)C1 ZINC000081568368 541926197 /nfs/dbraw/zinc/92/61/97/541926197.db2.gz GPRRTEXSZZSYBF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC000081568368 541926201 /nfs/dbraw/zinc/92/62/01/541926201.db2.gz GPRRTEXSZZSYBF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000081568368 541926206 /nfs/dbraw/zinc/92/62/06/541926206.db2.gz GPRRTEXSZZSYBF-KRWDZBQOSA-N 2 1 296.499 3.390 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453335757 374429535 /nfs/dbraw/zinc/42/95/35/374429535.db2.gz DSKQGIQWCGQCQQ-FQRYHQRQSA-N 2 1 264.457 3.416 20 0 CGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000453339813 374431596 /nfs/dbraw/zinc/43/15/96/374431596.db2.gz GXJYWCHDBGJEGX-DKUMPPAJSA-N 2 1 252.446 3.416 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncc(C(C)C)s1 ZINC000183732108 374446003 /nfs/dbraw/zinc/44/60/03/374446003.db2.gz ODBHJLRDGTVGFX-LBPRGKRZSA-N 2 1 292.452 3.197 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1C ZINC000453389455 374473059 /nfs/dbraw/zinc/47/30/59/374473059.db2.gz CLPFEOZUBGDCIG-QLFBSQMISA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C1CC1 ZINC000453409473 374474182 /nfs/dbraw/zinc/47/41/82/374474182.db2.gz UINYPTVUIGLVMO-BMFZPTHFSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000090403009 541958526 /nfs/dbraw/zinc/95/85/26/541958526.db2.gz BFUWAIJMQZAASF-IHRRRGAJSA-N 2 1 295.496 3.470 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000090400372 541958900 /nfs/dbraw/zinc/95/89/00/541958900.db2.gz FNTMTRVHKHIODJ-SNVBAGLBSA-N 2 1 281.469 3.411 20 0 CGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccnc1 ZINC000185159392 374600144 /nfs/dbraw/zinc/60/01/44/374600144.db2.gz HEEOBZJVJHBRKM-UHFFFAOYSA-N 2 1 275.440 3.216 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185218890 374612902 /nfs/dbraw/zinc/61/29/02/374612902.db2.gz BWQUZRONXHNNEN-BPUTZDHNSA-N 2 1 293.455 3.009 20 0 CGADMP FC1(F)CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459538980 374810795 /nfs/dbraw/zinc/81/07/95/374810795.db2.gz WDZLRVLPRKKFSK-UHFFFAOYSA-N 2 1 272.383 3.028 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000459724928 374817657 /nfs/dbraw/zinc/81/76/57/374817657.db2.gz FIGKBPJYVOWNTE-DJIMGWMZSA-N 2 1 264.457 3.277 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459743109 374818457 /nfs/dbraw/zinc/81/84/57/374818457.db2.gz WESIWNPGUHTVAC-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCC1(CC)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000186551344 374874739 /nfs/dbraw/zinc/87/47/39/374874739.db2.gz LUBYZHAOMBOESH-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528252 541987196 /nfs/dbraw/zinc/98/71/96/541987196.db2.gz KARMRGVQAZPRIV-AWEZNQCLSA-N 2 1 258.409 3.125 20 0 CGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000186405663 374844873 /nfs/dbraw/zinc/84/48/73/374844873.db2.gz QPDWDIGUJSGOLN-KSSFIOAISA-N 2 1 285.435 3.007 20 0 CGADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334671782 374961250 /nfs/dbraw/zinc/96/12/50/374961250.db2.gz PJZMHHBWZNXHPJ-QGZVFWFLSA-N 2 1 294.508 3.080 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000187066998 374965403 /nfs/dbraw/zinc/96/54/03/374965403.db2.gz YRKAIPSJNZIKRX-GOSISDBHSA-N 2 1 287.451 3.149 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000187066998 374965410 /nfs/dbraw/zinc/96/54/10/374965410.db2.gz YRKAIPSJNZIKRX-GOSISDBHSA-N 2 1 287.451 3.149 20 0 CGADMP C[C@H]1C[N@@H+](CCCCC[NH+]2C[C@@H](C)[C@H](C)C2)C[C@H]1C ZINC000464850333 374909502 /nfs/dbraw/zinc/90/95/02/374909502.db2.gz OVRMKPLPARJGDI-VQHPVUNQSA-N 2 1 266.473 3.332 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)CCN1C ZINC000334704933 374989337 /nfs/dbraw/zinc/98/93/37/374989337.db2.gz CVHJHGWBJYPNPF-OCCSQVGLSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC000334704933 374989345 /nfs/dbraw/zinc/98/93/45/374989345.db2.gz CVHJHGWBJYPNPF-OCCSQVGLSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC000334704933 374989350 /nfs/dbraw/zinc/98/93/50/374989350.db2.gz CVHJHGWBJYPNPF-OCCSQVGLSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)CC[NH+]1C ZINC000334704933 374989353 /nfs/dbraw/zinc/98/93/53/374989353.db2.gz CVHJHGWBJYPNPF-OCCSQVGLSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)CC[NH+]1C ZINC000334704933 374989358 /nfs/dbraw/zinc/98/93/58/374989358.db2.gz CVHJHGWBJYPNPF-OCCSQVGLSA-N 2 1 274.399 3.226 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479479818 375153569 /nfs/dbraw/zinc/15/35/69/375153569.db2.gz KBNKXRYRKOPTLY-VUCTXSBTSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000479479818 375153572 /nfs/dbraw/zinc/15/35/72/375153572.db2.gz KBNKXRYRKOPTLY-VUCTXSBTSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CCC1 ZINC000474485250 375115736 /nfs/dbraw/zinc/11/57/36/375115736.db2.gz PEQDALDEGROMKS-XJKSGUPXSA-N 2 1 252.446 3.275 20 0 CGADMP CCOC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000474629746 375123143 /nfs/dbraw/zinc/12/31/43/375123143.db2.gz DIVUCDCLWASDBZ-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP CCOC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000474629746 375123145 /nfs/dbraw/zinc/12/31/45/375123145.db2.gz DIVUCDCLWASDBZ-NVXWUHKLSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000187957955 375126828 /nfs/dbraw/zinc/12/68/28/375126828.db2.gz XOYXJKICQZGDJQ-KGLIPLIRSA-N 2 1 289.398 3.188 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)cc1C ZINC000495108152 375496876 /nfs/dbraw/zinc/49/68/76/375496876.db2.gz LFYFLARGOJOHNT-WMZOPIPTSA-N 2 1 272.436 3.138 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](CCC)CC1 ZINC000126073399 542039025 /nfs/dbraw/zinc/03/90/25/542039025.db2.gz SBWQIFNHBQBHDN-GOSISDBHSA-N 2 1 295.515 3.105 20 0 CGADMP Cc1c[nH+]ccc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192637524 375775208 /nfs/dbraw/zinc/77/52/08/375775208.db2.gz PVRWNKAQDOVBQR-SFHVURJKSA-N 2 1 295.430 3.348 20 0 CGADMP COc1ccc(C)cc1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000336534156 375812531 /nfs/dbraw/zinc/81/25/31/375812531.db2.gz WAXFXDRMQUALMT-UHFFFAOYSA-N 2 1 288.435 3.064 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)s1 ZINC000516348354 375819165 /nfs/dbraw/zinc/81/91/65/375819165.db2.gz TXIORSDWZFHONF-ZBFHGGJFSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)s1 ZINC000516348354 375819171 /nfs/dbraw/zinc/81/91/71/375819171.db2.gz TXIORSDWZFHONF-ZBFHGGJFSA-N 2 1 278.465 3.281 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)s1 ZINC000516348354 375819173 /nfs/dbraw/zinc/81/91/73/375819173.db2.gz TXIORSDWZFHONF-ZBFHGGJFSA-N 2 1 278.465 3.281 20 0 CGADMP C[N@@H+](CCSCC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000193618000 375898287 /nfs/dbraw/zinc/89/82/87/375898287.db2.gz GNOPRIKGBVOECP-KRWDZBQOSA-N 2 1 292.492 3.336 20 0 CGADMP C[NH+](CCSCC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000193618000 375898292 /nfs/dbraw/zinc/89/82/92/375898292.db2.gz GNOPRIKGBVOECP-KRWDZBQOSA-N 2 1 292.492 3.336 20 0 CGADMP C[NH+](CCSCC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000193618000 375898297 /nfs/dbraw/zinc/89/82/97/375898297.db2.gz GNOPRIKGBVOECP-KRWDZBQOSA-N 2 1 292.492 3.336 20 0 CGADMP CCSCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336803243 375953025 /nfs/dbraw/zinc/95/30/25/375953025.db2.gz XPPBMYPJYSNNFW-HZPDHXFCSA-N 2 1 284.513 3.326 20 0 CGADMP CCSCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336803243 375953035 /nfs/dbraw/zinc/95/30/35/375953035.db2.gz XPPBMYPJYSNNFW-HZPDHXFCSA-N 2 1 284.513 3.326 20 0 CGADMP CCSCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336803243 375953045 /nfs/dbraw/zinc/95/30/45/375953045.db2.gz XPPBMYPJYSNNFW-HZPDHXFCSA-N 2 1 284.513 3.326 20 0 CGADMP CCCCOC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000336844049 376005404 /nfs/dbraw/zinc/00/54/04/376005404.db2.gz YSBQCTPIEALFTH-UHFFFAOYSA-N 2 1 293.455 3.253 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000194551649 376017998 /nfs/dbraw/zinc/01/79/98/376017998.db2.gz CYDUURCPZAVSRW-GOSISDBHSA-N 2 1 288.435 3.309 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@H]12 ZINC000535765292 376055883 /nfs/dbraw/zinc/05/58/83/376055883.db2.gz HUTCFJWYDJRHFY-YYIAUSFCSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCCC[C@H]12 ZINC000535765292 376055892 /nfs/dbraw/zinc/05/58/92/376055892.db2.gz HUTCFJWYDJRHFY-YYIAUSFCSA-N 2 1 264.457 3.371 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCCC[C@H]12 ZINC000535765292 376055899 /nfs/dbraw/zinc/05/58/99/376055899.db2.gz HUTCFJWYDJRHFY-YYIAUSFCSA-N 2 1 264.457 3.371 20 0 CGADMP Cc1ccc(C[C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000536265496 376084389 /nfs/dbraw/zinc/08/43/89/376084389.db2.gz VSMHDEZWASTIJF-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000536265496 376084394 /nfs/dbraw/zinc/08/43/94/376084394.db2.gz VSMHDEZWASTIJF-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000536265496 376084398 /nfs/dbraw/zinc/08/43/98/376084398.db2.gz VSMHDEZWASTIJF-RTBURBONSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@@H](C)C[N@@H+](CC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211974036 376137442 /nfs/dbraw/zinc/13/74/42/376137442.db2.gz VCQDNIHNHJCVQC-CQSZACIVSA-N 2 1 260.425 3.200 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000536850203 376137694 /nfs/dbraw/zinc/13/76/94/376137694.db2.gz DXNDBPUSSRBZDJ-XJKSGUPXSA-N 2 1 292.854 3.301 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000536862146 376138782 /nfs/dbraw/zinc/13/87/82/376138782.db2.gz HAVOEDBVVMOJEY-INMHGKMJSA-N 2 1 292.492 3.487 20 0 CGADMP C[C@H]1C[C@@H](C[NH3+])CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000216207446 376161221 /nfs/dbraw/zinc/16/12/21/376161221.db2.gz AQWPKSZSLSIWQI-QWRGUYRKSA-N 2 1 275.783 3.062 20 0 CGADMP CCC[NH+]1CCC([NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000537448356 376169084 /nfs/dbraw/zinc/16/90/84/376169084.db2.gz ATFDBCWRHUEPFP-UHFFFAOYSA-N 2 1 276.399 3.279 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)CC[N@@H+]1C ZINC000537965720 376213638 /nfs/dbraw/zinc/21/36/38/376213638.db2.gz AKAXVIOKDXFMCJ-JSGCOSHPSA-N 2 1 278.465 3.199 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)CC[N@H+]1C ZINC000537965720 376213644 /nfs/dbraw/zinc/21/36/44/376213644.db2.gz AKAXVIOKDXFMCJ-JSGCOSHPSA-N 2 1 278.465 3.199 20 0 CGADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cncc(F)c1 ZINC000221817429 376221712 /nfs/dbraw/zinc/22/17/12/376221712.db2.gz AQQLPOAZGDOVLX-UONOGXRCSA-N 2 1 279.403 3.136 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cncc(F)c1 ZINC000221817429 376221717 /nfs/dbraw/zinc/22/17/17/376221717.db2.gz AQQLPOAZGDOVLX-UONOGXRCSA-N 2 1 279.403 3.136 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cncc(F)c1 ZINC000221817429 376221723 /nfs/dbraw/zinc/22/17/23/376221723.db2.gz AQQLPOAZGDOVLX-UONOGXRCSA-N 2 1 279.403 3.136 20 0 CGADMP CC(C)[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@H]1C ZINC000539510061 376316020 /nfs/dbraw/zinc/31/60/20/376316020.db2.gz WMQFVGUQOADYHW-PVAVHDDUSA-N 2 1 264.457 3.299 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000539791628 376331794 /nfs/dbraw/zinc/33/17/94/376331794.db2.gz VFOUOMDJCBZUCL-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000539791628 376331795 /nfs/dbraw/zinc/33/17/95/376331795.db2.gz VFOUOMDJCBZUCL-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CCCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000539791628 376331804 /nfs/dbraw/zinc/33/18/04/376331804.db2.gz VFOUOMDJCBZUCL-GOSISDBHSA-N 2 1 274.452 3.413 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000226436073 376359623 /nfs/dbraw/zinc/35/96/23/376359623.db2.gz ORFOYPHTKYEDQT-CQSZACIVSA-N 2 1 264.388 3.036 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000226436073 376359625 /nfs/dbraw/zinc/35/96/25/376359625.db2.gz ORFOYPHTKYEDQT-CQSZACIVSA-N 2 1 264.388 3.036 20 0 CGADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000226435805 376359794 /nfs/dbraw/zinc/35/97/94/376359794.db2.gz QKBJUVDFXVCYGR-HNNXBMFYSA-N 2 1 264.388 3.036 20 0 CGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000226438823 376360426 /nfs/dbraw/zinc/36/04/26/376360426.db2.gz WYJQVWFXOYHXAC-JKSUJKDBSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000226537140 376363444 /nfs/dbraw/zinc/36/34/44/376363444.db2.gz MIJODKQWKSVSLR-GVXVVHGQSA-N 2 1 252.789 3.070 20 0 CGADMP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540605694 376385999 /nfs/dbraw/zinc/38/59/99/376385999.db2.gz JBVKPBVODWKJTM-IAGOWNOFSA-N 2 1 264.457 3.443 20 0 CGADMP CS[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000541568402 376459743 /nfs/dbraw/zinc/45/97/43/376459743.db2.gz QEAAKBLVOPEPBV-REWJHTLYSA-N 2 1 272.502 3.082 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)C[C@@H]21 ZINC000230126453 376485205 /nfs/dbraw/zinc/48/52/05/376485205.db2.gz UVDGKGYPHOEWJS-OKZBNKHCSA-N 2 1 270.420 3.123 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]21 ZINC000230126129 376485488 /nfs/dbraw/zinc/48/54/88/376485488.db2.gz AKRZLXYDSFENEK-QLFBSQMISA-N 2 1 280.362 3.183 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000542269001 376529129 /nfs/dbraw/zinc/52/91/29/376529129.db2.gz CVRXZJUICIDVFV-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000542269001 376529134 /nfs/dbraw/zinc/52/91/34/376529134.db2.gz CVRXZJUICIDVFV-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP CC(C)[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000232755530 376588476 /nfs/dbraw/zinc/58/84/76/376588476.db2.gz NVMASYXDMAYLMS-AEFFLSMTSA-N 2 1 274.452 3.358 20 0 CGADMP CC(C)[N@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232934806 376593398 /nfs/dbraw/zinc/59/33/98/376593398.db2.gz IFYBALCIDSTIBC-KBPBESRZSA-N 2 1 266.454 3.347 20 0 CGADMP c1ccc(SCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069863 376661329 /nfs/dbraw/zinc/66/13/29/376661329.db2.gz YAXQOGONAVRDMZ-HOTGVXAUSA-N 2 1 290.476 3.385 20 0 CGADMP CC[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)[NH+]1CCCC1 ZINC000236992043 376722749 /nfs/dbraw/zinc/72/27/49/376722749.db2.gz WMCCLKFCIXBXQB-HNNXBMFYSA-N 2 1 271.408 3.132 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000543843066 376682614 /nfs/dbraw/zinc/68/26/14/376682614.db2.gz NDXQZVNNOWZYCD-MDZRGWNJSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCc3ccccc3C2)CC[N@H+]1C ZINC000543843066 376682616 /nfs/dbraw/zinc/68/26/16/376682616.db2.gz NDXQZVNNOWZYCD-MDZRGWNJSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCc3ccccc3C2)CC[NH+]1C ZINC000543843066 376682619 /nfs/dbraw/zinc/68/26/19/376682619.db2.gz NDXQZVNNOWZYCD-MDZRGWNJSA-N 2 1 286.463 3.206 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCc3ccccc3C2)CC[NH+]1C ZINC000543843066 376682621 /nfs/dbraw/zinc/68/26/21/376682621.db2.gz NDXQZVNNOWZYCD-MDZRGWNJSA-N 2 1 286.463 3.206 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000544894825 376768499 /nfs/dbraw/zinc/76/84/99/376768499.db2.gz WUKUKFMKLWNYFH-XWTMOSNGSA-N 2 1 296.499 3.386 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339721768 376824300 /nfs/dbraw/zinc/82/43/00/376824300.db2.gz XKAFCUNLUJRGDD-LSDHHAIUSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339721768 376824304 /nfs/dbraw/zinc/82/43/04/376824304.db2.gz XKAFCUNLUJRGDD-LSDHHAIUSA-N 2 1 261.413 3.092 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1nccs1 ZINC000245533458 376845657 /nfs/dbraw/zinc/84/56/57/376845657.db2.gz ISLOBOSJSUXELB-ZIAGYGMSSA-N 2 1 281.469 3.306 20 0 CGADMP Cc1cccc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000245556121 376853961 /nfs/dbraw/zinc/85/39/61/376853961.db2.gz UEMUIDJGZGYYAS-RBUKOAKNSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1cccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000245556121 376853972 /nfs/dbraw/zinc/85/39/72/376853972.db2.gz UEMUIDJGZGYYAS-RBUKOAKNSA-N 2 1 286.463 3.344 20 0 CGADMP Cc1cccc(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000245556121 376853980 /nfs/dbraw/zinc/85/39/80/376853980.db2.gz UEMUIDJGZGYYAS-RBUKOAKNSA-N 2 1 286.463 3.344 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000245585610 376862695 /nfs/dbraw/zinc/86/26/95/376862695.db2.gz DHIBTMARUHOWLD-BZUAXINKSA-N 2 1 275.440 3.100 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Cc2ccccc2)C1 ZINC000245737738 376895076 /nfs/dbraw/zinc/89/50/76/376895076.db2.gz WUMKMGQBZCNGIR-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000245737738 376895088 /nfs/dbraw/zinc/89/50/88/376895088.db2.gz WUMKMGQBZCNGIR-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000245737738 376895096 /nfs/dbraw/zinc/89/50/96/376895096.db2.gz WUMKMGQBZCNGIR-ZWKOTPCHSA-N 2 1 272.436 3.035 20 0 CGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccs1 ZINC000246124809 376971554 /nfs/dbraw/zinc/97/15/54/376971554.db2.gz WFMDPNHQWRLGKT-HOCLYGCPSA-N 2 1 289.448 3.249 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccs1 ZINC000246124809 376971564 /nfs/dbraw/zinc/97/15/64/376971564.db2.gz WFMDPNHQWRLGKT-HOCLYGCPSA-N 2 1 289.448 3.249 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CC)C1 ZINC000245779641 376905421 /nfs/dbraw/zinc/90/54/21/376905421.db2.gz YPVCMIRXCBYSEX-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C12CCC2 ZINC000245827482 376915882 /nfs/dbraw/zinc/91/58/82/376915882.db2.gz BCAHVRPBQVXERK-IXDOHACOSA-N 2 1 294.483 3.044 20 0 CGADMP CC1(C)c2ccccc2CC[N@@H+]1CCC[NH+]1CCCC1 ZINC000557342050 376930963 /nfs/dbraw/zinc/93/09/63/376930963.db2.gz LYQRKCGEDOVCED-UHFFFAOYSA-N 2 1 272.436 3.266 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000245944993 376941001 /nfs/dbraw/zinc/94/10/01/376941001.db2.gz NLSKFDZERKZFOI-MGPQQGTHSA-N 2 1 263.429 3.242 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CCO1 ZINC000246061199 376958298 /nfs/dbraw/zinc/95/82/98/376958298.db2.gz ZCJWRQOVSRZCSR-DDBAPUKQSA-N 2 1 296.499 3.290 20 0 CGADMP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340373603 377026050 /nfs/dbraw/zinc/02/60/50/377026050.db2.gz VHGKONWIQNVTKS-CVEARBPZSA-N 2 1 290.476 3.307 20 0 CGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340373603 377026055 /nfs/dbraw/zinc/02/60/55/377026055.db2.gz VHGKONWIQNVTKS-CVEARBPZSA-N 2 1 290.476 3.307 20 0 CGADMP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000246501672 377043309 /nfs/dbraw/zinc/04/33/09/377043309.db2.gz XTKXOJCTQZQUPR-IUODEOHRSA-N 2 1 266.454 3.130 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC000246507856 377044691 /nfs/dbraw/zinc/04/46/91/377044691.db2.gz QJCMOAOKUYNASB-CRAIPNDOSA-N 2 1 272.436 3.112 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2)C1 ZINC000558419303 377005969 /nfs/dbraw/zinc/00/59/69/377005969.db2.gz SKXDFYSKXAPEEP-WBVHZDCISA-N 2 1 292.442 3.467 20 0 CGADMP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000246596277 377058430 /nfs/dbraw/zinc/05/84/30/377058430.db2.gz MPBFXTPFERWBAP-IRXDYDNUSA-N 2 1 297.446 3.235 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000559804399 377099032 /nfs/dbraw/zinc/09/90/32/377099032.db2.gz MMWGZYXSPCWOIW-DLBZAZTESA-N 2 1 290.451 3.227 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000559804399 377099044 /nfs/dbraw/zinc/09/90/44/377099044.db2.gz MMWGZYXSPCWOIW-DLBZAZTESA-N 2 1 290.451 3.227 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000247301285 377191910 /nfs/dbraw/zinc/19/19/10/377191910.db2.gz PAMYRWIMBXPROB-ROUUACIJSA-N 2 1 272.436 3.178 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2F)[C@@H](C)C1 ZINC000247048692 377147596 /nfs/dbraw/zinc/14/75/96/377147596.db2.gz ORFYXWXYRXZIPT-WMLDXEAASA-N 2 1 292.442 3.423 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccoc1 ZINC000247100368 377159884 /nfs/dbraw/zinc/15/98/84/377159884.db2.gz PYZWNAUWGKFTKP-QLFBSQMISA-N 2 1 264.413 3.298 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccoc1 ZINC000247100368 377159892 /nfs/dbraw/zinc/15/98/92/377159892.db2.gz PYZWNAUWGKFTKP-QLFBSQMISA-N 2 1 264.413 3.298 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccoc1 ZINC000247230614 377179475 /nfs/dbraw/zinc/17/94/75/377179475.db2.gz YGCYMBLFNNMFDW-HUUCEWRRSA-N 2 1 264.413 3.442 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)Cc2ccsc2)C1 ZINC000561704152 377240494 /nfs/dbraw/zinc/24/04/94/377240494.db2.gz VTJPPHITOPVZMG-GDBMZVCRSA-N 2 1 280.481 3.343 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000247958195 377246401 /nfs/dbraw/zinc/24/64/01/377246401.db2.gz FWEMJVUVOCALRL-DZGCQCFKSA-N 2 1 252.446 3.275 20 0 CGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)C1CCCC1 ZINC000562747930 377358208 /nfs/dbraw/zinc/35/82/08/377358208.db2.gz UTDRBAUYPGWKAR-LJQANCHMSA-N 2 1 295.430 3.356 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161590619 542159997 /nfs/dbraw/zinc/15/99/97/542159997.db2.gz LWWALBVYTJLKPS-RKVPGOIHSA-N 2 1 270.420 3.199 20 0 CGADMP C1=C(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248689908 377381981 /nfs/dbraw/zinc/38/19/81/377381981.db2.gz AOUNWJNLVUGXDI-IRXDYDNUSA-N 2 1 262.441 3.483 20 0 CGADMP CCS[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248757214 377396703 /nfs/dbraw/zinc/39/67/03/377396703.db2.gz CTEJOIATMMYQOM-SDKNFDLMSA-N 2 1 282.497 3.266 20 0 CGADMP COc1cc(Cl)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000563135899 377408190 /nfs/dbraw/zinc/40/81/90/377408190.db2.gz VVSOZBWYRBWEOS-DTWKUNHWSA-N 2 1 291.222 3.217 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249098961 377462883 /nfs/dbraw/zinc/46/28/83/377462883.db2.gz PCTGEVFIESGASP-CABCVRRESA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249161653 377471974 /nfs/dbraw/zinc/47/19/74/377471974.db2.gz ZYUZDWCXZGYSNX-YQFWSFKMSA-N 2 1 288.435 3.137 20 0 CGADMP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249161653 377471978 /nfs/dbraw/zinc/47/19/78/377471978.db2.gz ZYUZDWCXZGYSNX-YQFWSFKMSA-N 2 1 288.435 3.137 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CSC)c2)[C@@H](C)C1 ZINC000249179020 377474322 /nfs/dbraw/zinc/47/43/22/377474322.db2.gz GUKDERKZKFWKNK-YOEHRIQHSA-N 2 1 292.492 3.370 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1OC ZINC000037644435 249002248 /nfs/dbraw/zinc/00/22/48/249002248.db2.gz KTSHPIOPLUFBKO-HOCLYGCPSA-N 2 1 276.424 3.078 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Sc1ccccc1 ZINC000166729632 542176150 /nfs/dbraw/zinc/17/61/50/542176150.db2.gz ZKQTXPHIKHYLST-OWCLPIDISA-N 2 1 290.476 3.384 20 0 CGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422904568 249127698 /nfs/dbraw/zinc/12/76/98/249127698.db2.gz GYKXPYSPSJRNGM-WMZOPIPTSA-N 3 1 295.515 3.138 20 0 CGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000422904568 249127699 /nfs/dbraw/zinc/12/76/99/249127699.db2.gz GYKXPYSPSJRNGM-WMZOPIPTSA-N 2 1 295.515 3.138 20 0 CGADMP CCCC[N@@H+](CC)Cc1cccc(C[NH2+][C@H](C)[C@H](C)O)c1 ZINC000573676361 377559753 /nfs/dbraw/zinc/55/97/53/377559753.db2.gz JFFVQUFRQXHKLO-CVEARBPZSA-N 2 1 292.467 3.168 20 0 CGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000481294579 249170108 /nfs/dbraw/zinc/17/01/08/249170108.db2.gz LHTWEXJPYZUYCK-ROUUACIJSA-N 2 1 292.442 3.323 20 0 CGADMP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc4ccccc43)[C@@H]2C1 ZINC000495150708 249176547 /nfs/dbraw/zinc/17/65/47/249176547.db2.gz XOIVFGLFMZPEFD-QFBILLFUSA-N 2 1 280.415 3.366 20 0 CGADMP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc4ccccc43)[C@@H]2C1 ZINC000495150708 249176549 /nfs/dbraw/zinc/17/65/49/249176549.db2.gz XOIVFGLFMZPEFD-QFBILLFUSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc4ccccc43)[C@@H]2C1 ZINC000495150708 249176551 /nfs/dbraw/zinc/17/65/51/249176551.db2.gz XOIVFGLFMZPEFD-QFBILLFUSA-N 2 1 280.415 3.366 20 0 CGADMP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc4ccccc43)[C@@H]2C1 ZINC000495150708 249176553 /nfs/dbraw/zinc/17/65/53/249176553.db2.gz XOIVFGLFMZPEFD-QFBILLFUSA-N 2 1 280.415 3.366 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251270237 377578497 /nfs/dbraw/zinc/57/84/97/377578497.db2.gz BQYZNRGCYSHLFY-QHEDDYRISA-N 2 1 264.457 3.416 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C1CCCC1 ZINC000515413316 249210877 /nfs/dbraw/zinc/21/08/77/249210877.db2.gz GKNCEPROIQMTLB-SZMVWBNQSA-N 2 1 287.451 3.215 20 0 CGADMP Cc1ccc(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000251481366 377583939 /nfs/dbraw/zinc/58/39/39/377583939.db2.gz ORCNUOQVAHXNFH-JEVOJNTISA-N 2 1 284.447 3.457 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000516964590 249252425 /nfs/dbraw/zinc/25/24/25/249252425.db2.gz YNCRJMUHZPUCIF-GFCCVEGCSA-N 2 1 286.366 3.247 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1C ZINC000251946477 377606219 /nfs/dbraw/zinc/60/62/19/377606219.db2.gz WKQHSYRVVUZZFO-JKJDWNRSSA-N 2 1 250.430 3.028 20 0 CGADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000564252114 322024414 /nfs/dbraw/zinc/02/44/14/322024414.db2.gz NSXJKSHDWVPMGW-SWLSCSKDSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000564252114 322024416 /nfs/dbraw/zinc/02/44/16/322024416.db2.gz NSXJKSHDWVPMGW-SWLSCSKDSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000564252114 322024419 /nfs/dbraw/zinc/02/44/19/322024419.db2.gz NSXJKSHDWVPMGW-SWLSCSKDSA-N 2 1 266.454 3.083 20 0 CGADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000564252114 322024421 /nfs/dbraw/zinc/02/44/21/322024421.db2.gz NSXJKSHDWVPMGW-SWLSCSKDSA-N 2 1 266.454 3.083 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC000252101634 377612673 /nfs/dbraw/zinc/61/26/73/377612673.db2.gz GIRLTQYKKFEXOH-QXSJWSMHSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252513572 377634859 /nfs/dbraw/zinc/63/48/59/377634859.db2.gz YSOXSKPVBMOHDK-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000574887962 377721151 /nfs/dbraw/zinc/72/11/51/377721151.db2.gz IUSWJOYMQJUQRV-OAHLLOKOSA-N 2 1 263.429 3.111 20 0 CGADMP CC(C)[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000574887962 377721155 /nfs/dbraw/zinc/72/11/55/377721155.db2.gz IUSWJOYMQJUQRV-OAHLLOKOSA-N 2 1 263.429 3.111 20 0 CGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC000564528275 322033511 /nfs/dbraw/zinc/03/35/11/322033511.db2.gz PBUXWFCDEOMHET-UHFFFAOYSA-N 2 1 280.843 3.422 20 0 CGADMP Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000342701677 377743148 /nfs/dbraw/zinc/74/31/48/377743148.db2.gz FSKOPVVHZFCDAM-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000342701677 377743150 /nfs/dbraw/zinc/74/31/50/377743150.db2.gz FSKOPVVHZFCDAM-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP Cc1cccc(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342701677 377743154 /nfs/dbraw/zinc/74/31/54/377743154.db2.gz FSKOPVVHZFCDAM-MRXNPFEDSA-N 2 1 260.425 3.077 20 0 CGADMP C[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](C)C3)c2)C1 ZINC000261387567 377812517 /nfs/dbraw/zinc/81/25/17/377812517.db2.gz LHEVPBFXLDWFSW-HZPDHXFCSA-N 2 1 272.436 3.370 20 0 CGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC000261574303 377820976 /nfs/dbraw/zinc/82/09/76/377820976.db2.gz WYJQVWFXOYHXAC-HOTGVXAUSA-N 2 1 260.425 3.296 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261575938 377821252 /nfs/dbraw/zinc/82/12/52/377821252.db2.gz NKIUKDZLTURUTG-BQPHKTIFSA-N 2 1 264.800 3.070 20 0 CGADMP CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858688 377841025 /nfs/dbraw/zinc/84/10/25/377841025.db2.gz FVXIUKUQKCORKJ-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342858688 377841030 /nfs/dbraw/zinc/84/10/30/377841030.db2.gz FVXIUKUQKCORKJ-ZBFHGGJFSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000261703052 377841194 /nfs/dbraw/zinc/84/11/94/377841194.db2.gz IFHWQIBDSNGIHL-MRXNPFEDSA-N 2 1 289.810 3.059 20 0 CGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000261703052 377841198 /nfs/dbraw/zinc/84/11/98/377841198.db2.gz IFHWQIBDSNGIHL-MRXNPFEDSA-N 2 1 289.810 3.059 20 0 CGADMP c1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261933400 377869647 /nfs/dbraw/zinc/86/96/47/377869647.db2.gz LVCXTXXQTONJQT-NVXWUHKLSA-N 2 1 258.409 3.213 20 0 CGADMP C[C@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000261924035 377869763 /nfs/dbraw/zinc/86/97/63/377869763.db2.gz KTZZAXFWYWUKHX-CZUORRHYSA-N 2 1 264.388 3.003 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261929382 377869972 /nfs/dbraw/zinc/86/99/72/377869972.db2.gz ZQIXCASGFJLIGC-CABCVRRESA-N 2 1 268.351 3.087 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261929382 377869977 /nfs/dbraw/zinc/86/99/77/377869977.db2.gz ZQIXCASGFJLIGC-CABCVRRESA-N 2 1 268.351 3.087 20 0 CGADMP C[C@]1(C[N@H+](Cc2ccc(F)cc2)CC2CC2)CC[NH2+]C1 ZINC000262055201 377885195 /nfs/dbraw/zinc/88/51/95/377885195.db2.gz QNNBFEIORLDPAH-KRWDZBQOSA-N 2 1 276.399 3.037 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262115643 377888911 /nfs/dbraw/zinc/88/89/11/377888911.db2.gz WVPMRPWNAOWMOG-GOSISDBHSA-N 2 1 284.403 3.181 20 0 CGADMP C[C@]1(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262146773 377890046 /nfs/dbraw/zinc/89/00/46/377890046.db2.gz ZPGLVIPAUQZZKP-ROUUACIJSA-N 2 1 272.436 3.040 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)C[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000262418060 377896219 /nfs/dbraw/zinc/89/62/19/377896219.db2.gz DTMOZBZTHVSIRY-INIZCTEOSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261772253 377851791 /nfs/dbraw/zinc/85/17/91/377851791.db2.gz DUNODVAJJNPOIX-YJBOKZPZSA-N 2 1 272.436 3.254 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261868808 377861570 /nfs/dbraw/zinc/86/15/70/377861570.db2.gz YQYQQPXZSTZJHP-NVXWUHKLSA-N 2 1 272.436 3.168 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343099298 377901238 /nfs/dbraw/zinc/90/12/38/377901238.db2.gz CIAHKYBNLDYDRZ-HNNXBMFYSA-N 2 1 275.783 3.122 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343752751 378082865 /nfs/dbraw/zinc/08/28/65/378082865.db2.gz RTSYICBDAIHQSZ-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343752751 378082871 /nfs/dbraw/zinc/08/28/71/378082871.db2.gz RTSYICBDAIHQSZ-IAGOWNOFSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000578927145 378113626 /nfs/dbraw/zinc/11/36/26/378113626.db2.gz YVPFIJROSPCSPH-HZPDHXFCSA-N 2 1 262.441 3.499 20 0 CGADMP CC[C@H](C[NH2+][C@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000578927145 378113636 /nfs/dbraw/zinc/11/36/36/378113636.db2.gz YVPFIJROSPCSPH-HZPDHXFCSA-N 2 1 262.441 3.499 20 0 CGADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000578939642 378115837 /nfs/dbraw/zinc/11/58/37/378115837.db2.gz JCDIMJTVARTQFB-HOTGVXAUSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268810386 378117695 /nfs/dbraw/zinc/11/76/95/378117695.db2.gz NSRJLPLDSULLNK-GDBMZVCRSA-N 2 1 290.426 3.078 20 0 CGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2sccc2C)CC1 ZINC000268814835 378118736 /nfs/dbraw/zinc/11/87/36/378118736.db2.gz FHMSCUZOGOPVQH-AWEZNQCLSA-N 2 1 296.480 3.208 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000268822546 378122719 /nfs/dbraw/zinc/12/27/19/378122719.db2.gz POWUJBOYUBFQLQ-AWEZNQCLSA-N 2 1 257.381 3.159 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000268837576 378127388 /nfs/dbraw/zinc/12/73/88/378127388.db2.gz GYHYRLDZIIIAIJ-GFCCVEGCSA-N 2 1 263.410 3.302 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000268839290 378128373 /nfs/dbraw/zinc/12/83/73/378128373.db2.gz HRJMEJBXRLYKTF-NSHDSACASA-N 2 1 279.334 3.211 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000268853393 378132380 /nfs/dbraw/zinc/13/23/80/378132380.db2.gz KXYRICQDMDHWML-SFHVURJKSA-N 2 1 283.419 3.193 20 0 CGADMP CCC[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)C ZINC000565160520 322063550 /nfs/dbraw/zinc/06/35/50/322063550.db2.gz CJHUCAKYKKIGHX-AWEZNQCLSA-N 2 1 251.418 3.157 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccccc1C ZINC000268892560 378144239 /nfs/dbraw/zinc/14/42/39/378144239.db2.gz UZYKLEMXZOYHDT-AWEZNQCLSA-N 2 1 257.381 3.241 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000268892440 378144484 /nfs/dbraw/zinc/14/44/84/378144484.db2.gz UVSFDPLLCAQWTC-CQSZACIVSA-N 2 1 257.381 3.241 20 0 CGADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1cccc(O)c1 ZINC000579254219 378145265 /nfs/dbraw/zinc/14/52/65/378145265.db2.gz BHKKWLFGGFUAOB-AWEZNQCLSA-N 2 1 287.407 3.141 20 0 CGADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1cccc(O)c1 ZINC000579254219 378145269 /nfs/dbraw/zinc/14/52/69/378145269.db2.gz BHKKWLFGGFUAOB-AWEZNQCLSA-N 2 1 287.407 3.141 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268893492 378145813 /nfs/dbraw/zinc/14/58/13/378145813.db2.gz DPEVYKWSXCJKOR-APWZRJJASA-N 2 1 297.446 3.168 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268893492 378145817 /nfs/dbraw/zinc/14/58/17/378145817.db2.gz DPEVYKWSXCJKOR-APWZRJJASA-N 2 1 297.446 3.168 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000268911633 378150420 /nfs/dbraw/zinc/15/04/20/378150420.db2.gz YYZGKFAZEFZFFS-LBPRGKRZSA-N 2 1 261.344 3.072 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000344003120 378150633 /nfs/dbraw/zinc/15/06/33/378150633.db2.gz XUWIMWYHCDXGOZ-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000344003120 378150637 /nfs/dbraw/zinc/15/06/37/378150637.db2.gz XUWIMWYHCDXGOZ-HRCADAONSA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268748531 378101592 /nfs/dbraw/zinc/10/15/92/378101592.db2.gz TWBZBZTUFWFLRD-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268748531 378101596 /nfs/dbraw/zinc/10/15/96/378101596.db2.gz TWBZBZTUFWFLRD-DOTOQJQBSA-N 2 1 260.425 3.287 20 0 CGADMP CCc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000268773861 378107681 /nfs/dbraw/zinc/10/76/81/378107681.db2.gz ASKGHFJKLATKEC-LBPRGKRZSA-N 2 1 261.369 3.088 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000268778730 378108180 /nfs/dbraw/zinc/10/81/80/378108180.db2.gz CHEDUNZPRLOYNP-CQSZACIVSA-N 2 1 275.421 3.310 20 0 CGADMP CC[N@@H+](CCCn1ccnc1C)Cc1cccs1 ZINC000269138716 378192310 /nfs/dbraw/zinc/19/23/10/378192310.db2.gz XYWODOBWZWYMSF-UHFFFAOYSA-N 2 1 263.410 3.165 20 0 CGADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1cccs1 ZINC000269138716 378192315 /nfs/dbraw/zinc/19/23/15/378192315.db2.gz XYWODOBWZWYMSF-UHFFFAOYSA-N 2 1 263.410 3.165 20 0 CGADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cccs1 ZINC000269138716 378192317 /nfs/dbraw/zinc/19/23/17/378192317.db2.gz XYWODOBWZWYMSF-UHFFFAOYSA-N 2 1 263.410 3.165 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000580037817 378217995 /nfs/dbraw/zinc/21/79/95/378217995.db2.gz SXOKJKVPAWOFAY-VVLHAWIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000580037817 378217998 /nfs/dbraw/zinc/21/79/98/378217998.db2.gz SXOKJKVPAWOFAY-VVLHAWIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000580037817 378218004 /nfs/dbraw/zinc/21/80/04/378218004.db2.gz SXOKJKVPAWOFAY-VVLHAWIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000580037817 378218007 /nfs/dbraw/zinc/21/80/07/378218007.db2.gz SXOKJKVPAWOFAY-VVLHAWIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000580037817 378218012 /nfs/dbraw/zinc/21/80/12/378218012.db2.gz SXOKJKVPAWOFAY-VVLHAWIVSA-N 2 1 266.473 3.475 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000579378621 378155647 /nfs/dbraw/zinc/15/56/47/378155647.db2.gz SDKBDGMXXKGDAA-KRWDZBQOSA-N 2 1 292.442 3.422 20 0 CGADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)OC ZINC000579574482 378172753 /nfs/dbraw/zinc/17/27/53/378172753.db2.gz HXHFMFCCYZNKDK-TVFCKZIOSA-N 2 1 296.499 3.290 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000344649369 378176281 /nfs/dbraw/zinc/17/62/81/378176281.db2.gz ZLDHYPMULICWKE-YHNBSYBMSA-N 2 1 252.446 3.418 20 0 CGADMP CCC1(C)CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000344649369 378176284 /nfs/dbraw/zinc/17/62/84/378176284.db2.gz ZLDHYPMULICWKE-YHNBSYBMSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)CCCc1cncn1C ZINC000565164009 322064039 /nfs/dbraw/zinc/06/40/39/322064039.db2.gz LUQWOWKMAIGHIE-LBPRGKRZSA-N 2 1 263.410 3.107 20 0 CGADMP C[C@@H](c1cccs1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565164009 322064042 /nfs/dbraw/zinc/06/40/42/322064042.db2.gz LUQWOWKMAIGHIE-LBPRGKRZSA-N 2 1 263.410 3.107 20 0 CGADMP C[C@@H](c1cccs1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565164009 322064043 /nfs/dbraw/zinc/06/40/43/322064043.db2.gz LUQWOWKMAIGHIE-LBPRGKRZSA-N 2 1 263.410 3.107 20 0 CGADMP Cc1cccc2c(NC[C@@H]3CC[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000582214901 378292882 /nfs/dbraw/zinc/29/28/82/378292882.db2.gz MIGZCESGBQOZAA-HNNXBMFYSA-N 2 1 295.430 3.170 20 0 CGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000583779810 378345765 /nfs/dbraw/zinc/34/57/65/378345765.db2.gz KWLDAKWHNSDSIG-QGZVFWFLSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000270908892 378412723 /nfs/dbraw/zinc/41/27/23/378412723.db2.gz SLNCODTUXNMTOV-KRWDZBQOSA-N 2 1 269.392 3.323 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2CCn2ccnc2C)c1 ZINC000270676742 378385805 /nfs/dbraw/zinc/38/58/05/378385805.db2.gz SSMLADZVZQZISO-KRWDZBQOSA-N 2 1 285.391 3.037 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cccs1 ZINC000346155800 378482616 /nfs/dbraw/zinc/48/26/16/378482616.db2.gz RQQSAOFWFUKQKZ-UHFFFAOYSA-N 2 1 298.415 3.269 20 0 CGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cccs1 ZINC000346155800 378482620 /nfs/dbraw/zinc/48/26/20/378482620.db2.gz RQQSAOFWFUKQKZ-UHFFFAOYSA-N 2 1 298.415 3.269 20 0 CGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000271486966 378495988 /nfs/dbraw/zinc/49/59/88/378495988.db2.gz OFPHZLKAMAVUDN-KMFMINBZSA-N 2 1 288.435 3.145 20 0 CGADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000271486966 378495991 /nfs/dbraw/zinc/49/59/91/378495991.db2.gz OFPHZLKAMAVUDN-KMFMINBZSA-N 2 1 288.435 3.145 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346202453 378502177 /nfs/dbraw/zinc/50/21/77/378502177.db2.gz JDVNZUGASZJKJC-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346202453 378502180 /nfs/dbraw/zinc/50/21/80/378502180.db2.gz JDVNZUGASZJKJC-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346202453 378502184 /nfs/dbraw/zinc/50/21/84/378502184.db2.gz JDVNZUGASZJKJC-MRXNPFEDSA-N 2 1 297.446 3.317 20 0 CGADMP Cc1[nH+]ccn1CC[N@H+](CCc1ccccc1)CC(C)C ZINC000346321672 378543015 /nfs/dbraw/zinc/54/30/15/378543015.db2.gz IONAXLLZYUNRHP-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP Cc1[nH+]ccn1CC[N@@H+](CCc1ccccc1)CC(C)C ZINC000346321672 378543020 /nfs/dbraw/zinc/54/30/20/378543020.db2.gz IONAXLLZYUNRHP-UHFFFAOYSA-N 2 1 285.435 3.392 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000346484250 378592043 /nfs/dbraw/zinc/59/20/43/378592043.db2.gz MVRVXEHGNYNWCO-CRAIPNDOSA-N 2 1 290.451 3.184 20 0 CGADMP CC(C)[C@H](C[NH2+][C@@H](C)CCC1CC1)[NH+]1CCCC1 ZINC000346528096 378605150 /nfs/dbraw/zinc/60/51/50/378605150.db2.gz JEYSYTHLUWAYQZ-HOCLYGCPSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000346537583 378609327 /nfs/dbraw/zinc/60/93/27/378609327.db2.gz RTJOBKMTFNBANU-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H](CCC1CC1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000346537583 378609329 /nfs/dbraw/zinc/60/93/29/378609329.db2.gz RTJOBKMTFNBANU-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP CCS[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000346538452 378611110 /nfs/dbraw/zinc/61/11/10/378611110.db2.gz SMLOWUUXMVBKLB-CABCVRRESA-N 2 1 281.469 3.236 20 0 CGADMP Cc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc2cccnc12 ZINC000346645666 378660358 /nfs/dbraw/zinc/66/03/58/378660358.db2.gz FFGNXQXLYSPCSM-KRWDZBQOSA-N 2 1 285.435 3.348 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000347000717 378703977 /nfs/dbraw/zinc/70/39/77/378703977.db2.gz ZVWFTIRTNGBARU-OAHLLOKOSA-N 2 1 250.430 3.032 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)cccc2OC)C1 ZINC000638124885 378709643 /nfs/dbraw/zinc/70/96/43/378709643.db2.gz XREVUGBGLQZLCH-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2OC)C1 ZINC000638124885 378709647 /nfs/dbraw/zinc/70/96/47/378709647.db2.gz XREVUGBGLQZLCH-INIZCTEOSA-N 2 1 290.451 3.167 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3ncccc23)C1 ZINC000638127189 378711340 /nfs/dbraw/zinc/71/13/40/378711340.db2.gz HONNEXWNHGAZSX-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638127189 378711345 /nfs/dbraw/zinc/71/13/45/378711345.db2.gz HONNEXWNHGAZSX-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638127189 378711352 /nfs/dbraw/zinc/71/13/52/378711352.db2.gz HONNEXWNHGAZSX-MRXNPFEDSA-N 2 1 297.446 3.399 20 0 CGADMP CCC[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)OC ZINC000638365705 378779585 /nfs/dbraw/zinc/77/95/85/378779585.db2.gz GXYWQRMNZCRXMG-JKSUJKDBSA-N 2 1 270.461 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000348081950 378782769 /nfs/dbraw/zinc/78/27/69/378782769.db2.gz SEMFYLUWLVZPEK-HNNXBMFYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000348081950 378782776 /nfs/dbraw/zinc/78/27/76/378782776.db2.gz SEMFYLUWLVZPEK-HNNXBMFYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)sn1 ZINC000638371245 378782942 /nfs/dbraw/zinc/78/29/42/378782942.db2.gz PAZLHPCMBOPERN-OKILXGFUSA-N 2 1 295.496 3.299 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000348166228 378819388 /nfs/dbraw/zinc/81/93/88/378819388.db2.gz NXAZFZZLMKCXEA-QGZVFWFLSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000348166228 378819392 /nfs/dbraw/zinc/81/93/92/378819392.db2.gz NXAZFZZLMKCXEA-QGZVFWFLSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000348166228 378819395 /nfs/dbraw/zinc/81/93/95/378819395.db2.gz NXAZFZZLMKCXEA-QGZVFWFLSA-N 2 1 290.426 3.317 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346836830 218031120 /nfs/dbraw/zinc/03/11/20/218031120.db2.gz VRJZBSHRQKDIEE-RYQLBKOJSA-N 2 1 288.435 3.035 20 0 CGADMP CCc1oc2ccccc2c1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346846550 218034829 /nfs/dbraw/zinc/03/48/29/218034829.db2.gz LMLIXIQSQDUVTL-AWEZNQCLSA-N 2 1 286.419 3.427 20 0 CGADMP Cc1nc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cs1 ZINC000348320589 378905614 /nfs/dbraw/zinc/90/56/14/378905614.db2.gz MJPQJRVNDAQEHZ-LLVKDONJSA-N 2 1 278.425 3.087 20 0 CGADMP CC(C)[NH+](CCC[NH2+]Cc1cccc(F)c1N)C(C)C ZINC000638737242 378894492 /nfs/dbraw/zinc/89/44/92/378894492.db2.gz WABNAHWOXRBXTQ-UHFFFAOYSA-N 2 1 281.419 3.006 20 0 CGADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000638839039 378931626 /nfs/dbraw/zinc/93/16/26/378931626.db2.gz VJSBUZRZAYFXNV-RDJZCZTQSA-N 2 1 262.441 3.363 20 0 CGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1C ZINC000346985496 218078687 /nfs/dbraw/zinc/07/86/87/218078687.db2.gz OTPDVJKHUJWYGX-FUHWJXTLSA-N 2 1 272.436 3.440 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347041519 218101678 /nfs/dbraw/zinc/10/16/78/218101678.db2.gz LADNLNUPIOBVRR-IUODEOHRSA-N 2 1 266.816 3.126 20 0 CGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347041519 218101682 /nfs/dbraw/zinc/10/16/82/218101682.db2.gz LADNLNUPIOBVRR-IUODEOHRSA-N 2 1 266.816 3.126 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000347043451 218103159 /nfs/dbraw/zinc/10/31/59/218103159.db2.gz MVPYOHYMNONUEE-MLGOLLRUSA-N 2 1 288.366 3.255 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000347043451 218103162 /nfs/dbraw/zinc/10/31/62/218103162.db2.gz MVPYOHYMNONUEE-MLGOLLRUSA-N 2 1 288.366 3.255 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC1(F)F ZINC000638969458 378961597 /nfs/dbraw/zinc/96/15/97/378961597.db2.gz HFLVKODYCHPHQD-JLNYLFASSA-N 2 1 286.410 3.273 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000276613475 378967580 /nfs/dbraw/zinc/96/75/80/378967580.db2.gz HBAVPMAFGLZWHS-LLVKDONJSA-N 2 1 297.324 3.332 20 0 CGADMP CCC[N@H+](Cc1cnc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000347117940 218127514 /nfs/dbraw/zinc/12/75/14/218127514.db2.gz XOQJAPNCBXMFLL-UHFFFAOYSA-N 2 1 295.496 3.405 20 0 CGADMP CCC[N@@H+](Cc1cnc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000347117940 218127517 /nfs/dbraw/zinc/12/75/17/218127517.db2.gz XOQJAPNCBXMFLL-UHFFFAOYSA-N 2 1 295.496 3.405 20 0 CGADMP CCC[N@@H+](Cc1cccc(OC(F)F)c1)C1CC[NH2+]CC1 ZINC000347182070 218148651 /nfs/dbraw/zinc/14/86/51/218148651.db2.gz VVGPISIRQMCWBW-UHFFFAOYSA-N 2 1 298.377 3.252 20 0 CGADMP Cc1scc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000639106213 379030720 /nfs/dbraw/zinc/03/07/20/379030720.db2.gz XCMGGMYRTDUMHJ-HNNXBMFYSA-N 2 1 266.454 3.281 20 0 CGADMP COc1cccc(CCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277116883 379074280 /nfs/dbraw/zinc/07/42/80/379074280.db2.gz HMCJCGDAGKEYSE-QGZVFWFLSA-N 2 1 290.451 3.044 20 0 CGADMP FC1(F)CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000277195606 379095899 /nfs/dbraw/zinc/09/58/99/379095899.db2.gz VEPJJTQDJGJNPY-UHFFFAOYSA-N 2 1 294.389 3.081 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177439 379096358 /nfs/dbraw/zinc/09/63/58/379096358.db2.gz DENFTDAQQAPOFJ-OQIJWPOYSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177439 379096362 /nfs/dbraw/zinc/09/63/62/379096362.db2.gz DENFTDAQQAPOFJ-OQIJWPOYSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177439 379096365 /nfs/dbraw/zinc/09/63/65/379096365.db2.gz DENFTDAQQAPOFJ-OQIJWPOYSA-N 2 1 286.463 3.452 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639177439 379096367 /nfs/dbraw/zinc/09/63/67/379096367.db2.gz DENFTDAQQAPOFJ-OQIJWPOYSA-N 2 1 286.463 3.452 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000277434434 379158231 /nfs/dbraw/zinc/15/82/31/379158231.db2.gz JSPUAJVIYCPMTN-OAHLLOKOSA-N 2 1 271.408 3.084 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000349153404 379174265 /nfs/dbraw/zinc/17/42/65/379174265.db2.gz RZRCGTJZNLTECM-CYBMUJFWSA-N 2 1 282.815 3.097 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000277531458 379183304 /nfs/dbraw/zinc/18/33/04/379183304.db2.gz PWEHBSCVZPQZBC-QGZVFWFLSA-N 2 1 260.425 3.220 20 0 CGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688353 379200192 /nfs/dbraw/zinc/20/01/92/379200192.db2.gz DJHNWZIQNYXBNH-KNXWPPODSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688353 379200198 /nfs/dbraw/zinc/20/01/98/379200198.db2.gz DJHNWZIQNYXBNH-KNXWPPODSA-N 2 1 294.483 3.188 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CC34CC4)CC[N@H+]2C2CC2)cc1 ZINC000639276464 379221728 /nfs/dbraw/zinc/22/17/28/379221728.db2.gz BZUZZVAYJLLFQA-RYQLBKOJSA-N 2 1 282.431 3.497 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CC34CC4)CC[N@@H+]2C2CC2)cc1 ZINC000639276464 379221730 /nfs/dbraw/zinc/22/17/30/379221730.db2.gz BZUZZVAYJLLFQA-RYQLBKOJSA-N 2 1 282.431 3.497 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2cc(OC)ccc2o1 ZINC000349342609 379237926 /nfs/dbraw/zinc/23/79/26/379237926.db2.gz FCWFCINYKSHBEV-UHFFFAOYSA-N 2 1 290.407 3.215 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2cc(OC)ccc2o1 ZINC000349342609 379237931 /nfs/dbraw/zinc/23/79/31/379237931.db2.gz FCWFCINYKSHBEV-UHFFFAOYSA-N 2 1 290.407 3.215 20 0 CGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CC=CCC1 ZINC000349355374 379244590 /nfs/dbraw/zinc/24/45/90/379244590.db2.gz UZJMJAOUDHZBLU-MRXNPFEDSA-N 2 1 250.430 3.151 20 0 CGADMP CO[C@H](CC(C)C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000569087177 322234066 /nfs/dbraw/zinc/23/40/66/322234066.db2.gz SZGYYFIPARTXPH-QGZVFWFLSA-N 2 1 284.488 3.100 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000569155384 322237227 /nfs/dbraw/zinc/23/72/27/322237227.db2.gz CWRJWLXINLBYTM-WCVJEAGWSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000569155384 322237229 /nfs/dbraw/zinc/23/72/29/322237229.db2.gz CWRJWLXINLBYTM-WCVJEAGWSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000569155384 322237232 /nfs/dbraw/zinc/23/72/32/322237232.db2.gz CWRJWLXINLBYTM-WCVJEAGWSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000569155384 322237236 /nfs/dbraw/zinc/23/72/36/322237236.db2.gz CWRJWLXINLBYTM-WCVJEAGWSA-N 2 1 252.446 3.085 20 0 CGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000279057281 379411743 /nfs/dbraw/zinc/41/17/43/379411743.db2.gz YOHYKIPYGZEHQN-YOEHRIQHSA-N 2 1 295.430 3.458 20 0 CGADMP C[N@H+](Cc1cccc(C(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000279705256 379496131 /nfs/dbraw/zinc/49/61/31/379496131.db2.gz KEDZCORGDHRSLZ-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP C[NH+](Cc1cccc(C(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000279705256 379496138 /nfs/dbraw/zinc/49/61/38/379496138.db2.gz KEDZCORGDHRSLZ-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP C[NH+](Cc1cccc(C(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000279705256 379496146 /nfs/dbraw/zinc/49/61/46/379496146.db2.gz KEDZCORGDHRSLZ-CQSZACIVSA-N 2 1 282.378 3.398 20 0 CGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000279828838 379526739 /nfs/dbraw/zinc/52/67/39/379526739.db2.gz QCSZUYSORNKSDE-SOLBZPMBSA-N 2 1 288.410 3.420 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000266826862 190283242 /nfs/dbraw/zinc/28/32/42/190283242.db2.gz DDKCAISRIALROO-LLVKDONJSA-N 2 1 279.334 3.211 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](CCc3ccccc3Cl)C2)CC1 ZINC000639757644 379573159 /nfs/dbraw/zinc/57/31/59/379573159.db2.gz KJHILWFVQIWFIS-UHFFFAOYSA-N 2 1 292.854 3.300 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](CCCc2ccsc2)CC1 ZINC000640017990 379687717 /nfs/dbraw/zinc/68/77/17/379687717.db2.gz UFXXTYOYOLUGCA-UHFFFAOYSA-N 2 1 280.481 3.487 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000377885219 379754843 /nfs/dbraw/zinc/75/48/43/379754843.db2.gz RTKJZSRBFATRBU-QGZVFWFLSA-N 2 1 297.446 3.332 20 0 CGADMP C[N@H+]1CC[C@@H]2CCN(Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729280 379741867 /nfs/dbraw/zinc/74/18/67/379741867.db2.gz FOMPXKKMFAREBY-IUODEOHRSA-N 2 1 298.352 3.231 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(SC)cc2)[C@H](C)C1 ZINC000280793673 379790841 /nfs/dbraw/zinc/79/08/41/379790841.db2.gz JVMVDENFIHFKBT-PBHICJAKSA-N 2 1 292.492 3.271 20 0 CGADMP [NH3+]CCC[N@@H+](Cc1ccncc1Cl)CC1CCCC1 ZINC000352509863 379841900 /nfs/dbraw/zinc/84/19/00/379841900.db2.gz LQGLQCRVRMKWEP-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP [NH3+]CCC[N@H+](Cc1ccncc1Cl)CC1CCCC1 ZINC000352509863 379841907 /nfs/dbraw/zinc/84/19/07/379841907.db2.gz LQGLQCRVRMKWEP-UHFFFAOYSA-N 2 1 281.831 3.076 20 0 CGADMP COc1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352526989 379845181 /nfs/dbraw/zinc/84/51/81/379845181.db2.gz UZBHTDGSQYBNRV-UHFFFAOYSA-N 2 1 276.424 3.036 20 0 CGADMP CC(C)=CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398036169 379926212 /nfs/dbraw/zinc/92/62/12/379926212.db2.gz PWDKHAZDOHVKGU-WMZOPIPTSA-N 2 1 272.436 3.453 20 0 CGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000388103932 379880263 /nfs/dbraw/zinc/88/02/63/379880263.db2.gz FXFASJYUXIUVMX-RDJZCZTQSA-N 2 1 260.425 3.378 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000388367077 379886242 /nfs/dbraw/zinc/88/62/42/379886242.db2.gz HXHWOEXNGXELRY-FVQBIDKESA-N 2 1 263.429 3.242 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000352793602 379963808 /nfs/dbraw/zinc/96/38/08/379963808.db2.gz CGZMHESMUGLWNR-KFWWJZLASA-N 2 1 279.403 3.134 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000401792533 379958505 /nfs/dbraw/zinc/95/85/05/379958505.db2.gz XGBFFAAFPVJATI-MSOLQXFVSA-N 2 1 283.419 3.279 20 0 CGADMP CC(C)(C)c1cc[nH+]c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000641289442 379986596 /nfs/dbraw/zinc/98/65/96/379986596.db2.gz ZTSVUMILLCCXNY-ZDUSSCGKSA-N 2 1 273.424 3.275 20 0 CGADMP CC(C)(C)c1cc[nH+]c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000641289442 379986599 /nfs/dbraw/zinc/98/65/99/379986599.db2.gz ZTSVUMILLCCXNY-ZDUSSCGKSA-N 2 1 273.424 3.275 20 0 CGADMP CCC(CC)C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000409445266 380031109 /nfs/dbraw/zinc/03/11/09/380031109.db2.gz JSXMJOFBUASYOX-INIZCTEOSA-N 2 1 252.446 3.086 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3s2)CC[N@@H+]1C ZINC000268180674 190384279 /nfs/dbraw/zinc/38/42/79/190384279.db2.gz IQKBSYNKXLMKDI-OCCSQVGLSA-N 2 1 274.433 3.474 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3s2)CC[N@H+]1C ZINC000268180674 190384280 /nfs/dbraw/zinc/38/42/80/190384280.db2.gz IQKBSYNKXLMKDI-OCCSQVGLSA-N 2 1 274.433 3.474 20 0 CGADMP Cc1occc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000414396220 380221074 /nfs/dbraw/zinc/22/10/74/380221074.db2.gz RYARCPPXMGMJKA-UHFFFAOYSA-N 2 1 285.391 3.050 20 0 CGADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000643507908 380330157 /nfs/dbraw/zinc/33/01/57/380330157.db2.gz VYKFXACUOHSZKH-NWDGAFQWSA-N 2 1 266.816 3.174 20 0 CGADMP Clc1ccccc1C[C@H]([NH2+]CC[NH2+]C1CC1)C1CC1 ZINC000643507745 380330173 /nfs/dbraw/zinc/33/01/73/380330173.db2.gz OFNNIIWJGPXYNY-INIZCTEOSA-N 2 1 278.827 3.003 20 0 CGADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000643511236 380331530 /nfs/dbraw/zinc/33/15/30/380331530.db2.gz XSLMBMDDYCZPNT-QWHCGFSZSA-N 2 1 254.443 3.032 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508164 380332009 /nfs/dbraw/zinc/33/20/09/380332009.db2.gz QAYXLGKODKFOOW-AWEZNQCLSA-N 2 1 264.413 3.042 20 0 CGADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(C)(C)C ZINC000643355401 380293597 /nfs/dbraw/zinc/29/35/97/380293597.db2.gz BVPXDZGHFDLYRX-UHFFFAOYSA-N 2 1 292.467 3.495 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000643455755 380308503 /nfs/dbraw/zinc/30/85/03/380308503.db2.gz QJHRLJHEPZXHQP-PBHICJAKSA-N 2 1 260.425 3.083 20 0 CGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000643521449 380336294 /nfs/dbraw/zinc/33/62/94/380336294.db2.gz IWMSFMGTLAUGQN-STQMWFEESA-N 2 1 298.377 3.389 20 0 CGADMP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccn1 ZINC000643548922 380365352 /nfs/dbraw/zinc/36/53/52/380365352.db2.gz XNUKKUURVMHMRF-GOEBONIOSA-N 2 1 273.424 3.187 20 0 CGADMP CC[N@H+](Cc1c(F)cccc1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414697406 380378028 /nfs/dbraw/zinc/37/80/28/380378028.db2.gz QWCCNOBREXYCIG-STQMWFEESA-N 2 1 282.378 3.175 20 0 CGADMP Cc1ccc(C)c(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414742283 380390984 /nfs/dbraw/zinc/39/09/84/380390984.db2.gz FZOFUSIYSZWDJS-HOTGVXAUSA-N 2 1 260.425 3.123 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1csc(Cl)c1 ZINC000643521814 380337840 /nfs/dbraw/zinc/33/78/40/380337840.db2.gz CNMHEFYAXUEHDI-KOLCDFICSA-N 2 1 258.818 3.194 20 0 CGADMP C[C@H]([NH3+])C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000643529110 380347044 /nfs/dbraw/zinc/34/70/44/380347044.db2.gz VIFBWBINBCOMBO-MAUKXSAKSA-N 2 1 268.404 3.297 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccccc2C1)C1CCCC1 ZINC000643543504 380358218 /nfs/dbraw/zinc/35/82/18/380358218.db2.gz POUMQNYNXZFTGQ-QZTJIDSGSA-N 2 1 272.436 3.041 20 0 CGADMP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546891 380362051 /nfs/dbraw/zinc/36/20/51/380362051.db2.gz WHONNPQUOORJGK-HUUCEWRRSA-N 2 1 288.435 3.411 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000414813166 380423543 /nfs/dbraw/zinc/42/35/43/380423543.db2.gz MBCDMGJUOPAQKK-ZDUSSCGKSA-N 2 1 285.229 3.056 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(OC(C)C)c1 ZINC000414817962 380428678 /nfs/dbraw/zinc/42/86/78/380428678.db2.gz UJSQSJGEWVHJBV-HNNXBMFYSA-N 2 1 264.413 3.081 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000414819667 380430826 /nfs/dbraw/zinc/43/08/26/380430826.db2.gz ZHNBQBKQDBRLHF-KRWDZBQOSA-N 2 1 286.419 3.456 20 0 CGADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414821013 380432589 /nfs/dbraw/zinc/43/25/89/380432589.db2.gz BMQZJEIUNIRVRK-UKRRQHHQSA-N 2 1 266.816 3.175 20 0 CGADMP C[C@H](CC1CCCC1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414835132 380441804 /nfs/dbraw/zinc/44/18/04/380441804.db2.gz HCOQHGOOIZVOFK-CZUORRHYSA-N 2 1 252.446 3.452 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414855058 380457925 /nfs/dbraw/zinc/45/79/25/380457925.db2.gz VWBVULDBNGVERP-DOMZBBRYSA-N 2 1 268.832 3.407 20 0 CGADMP Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000414855590 380458170 /nfs/dbraw/zinc/45/81/70/380458170.db2.gz XDZQXPVJDKLNNQ-NVXWUHKLSA-N 2 1 262.441 3.279 20 0 CGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000414851052 380454032 /nfs/dbraw/zinc/45/40/32/380454032.db2.gz OIQSOXBQRSZKCM-WBVHZDCISA-N 2 1 262.441 3.279 20 0 CGADMP C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@H]1CCC[NH2+]C1 ZINC000414854621 380455502 /nfs/dbraw/zinc/45/55/02/380455502.db2.gz MBGQSAMROMEKCL-HOCLYGCPSA-N 2 1 284.403 3.424 20 0 CGADMP C[C@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(C)(C)C ZINC000643973661 380403706 /nfs/dbraw/zinc/40/37/06/380403706.db2.gz YTZUTOCDRGWNPS-KGLIPLIRSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414792110 380407486 /nfs/dbraw/zinc/40/74/86/380407486.db2.gz IPKCSJIPNGGGOS-GFCCVEGCSA-N 2 1 261.196 3.066 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C1CC1 ZINC000414792743 380409253 /nfs/dbraw/zinc/40/92/53/380409253.db2.gz CSUXQEBTDUBVDC-PREGVCBESA-N 2 1 258.409 3.040 20 0 CGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2cccc(F)c2)s1)C1CC1 ZINC000414797214 380410840 /nfs/dbraw/zinc/41/08/40/380410840.db2.gz IIGIEZFKBAAPBM-HNNXBMFYSA-N 2 1 290.407 3.381 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000414802487 380414729 /nfs/dbraw/zinc/41/47/29/380414729.db2.gz IBODVRWPCAJEIA-IRXDYDNUSA-N 2 1 282.472 3.092 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000414805781 380418775 /nfs/dbraw/zinc/41/87/75/380418775.db2.gz AUTVZODYSFYCRY-NVXWUHKLSA-N 2 1 262.441 3.423 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000414908404 380486056 /nfs/dbraw/zinc/48/60/56/380486056.db2.gz BHTXWTIBSXPUJY-UONOGXRCSA-N 2 1 287.432 3.170 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414935852 380495107 /nfs/dbraw/zinc/49/51/07/380495107.db2.gz GGPQNUWGPCGGQW-CZUORRHYSA-N 2 1 270.376 3.034 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415040578 380505029 /nfs/dbraw/zinc/50/50/29/380505029.db2.gz KGQQIHGDVZIGAT-MSOLQXFVSA-N 2 1 272.436 3.267 20 0 CGADMP CSc1ccccc1C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415072679 380506498 /nfs/dbraw/zinc/50/64/98/380506498.db2.gz YNBOQRDKHXSACB-XJKSGUPXSA-N 2 1 292.492 3.447 20 0 CGADMP CCC[NH2+]CC[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414870957 380467097 /nfs/dbraw/zinc/46/70/97/380467097.db2.gz NDPMERYHOUEERG-GFCCVEGCSA-N 2 1 299.256 3.142 20 0 CGADMP Clc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414881159 380471939 /nfs/dbraw/zinc/47/19/39/380471939.db2.gz QZXHLTLUWWCQKB-UHFFFAOYSA-N 2 1 289.810 3.005 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)C1CCCCC1 ZINC000645112276 380585484 /nfs/dbraw/zinc/58/54/84/380585484.db2.gz GDSZFPBAAPLQLJ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)C1CCCCC1 ZINC000645112276 380585488 /nfs/dbraw/zinc/58/54/88/380585488.db2.gz GDSZFPBAAPLQLJ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)C1CCCCC1 ZINC000645112276 380585492 /nfs/dbraw/zinc/58/54/92/380585492.db2.gz GDSZFPBAAPLQLJ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)C1CCCCC1 ZINC000645112276 380585497 /nfs/dbraw/zinc/58/54/97/380585497.db2.gz GDSZFPBAAPLQLJ-OIISXLGYSA-N 2 1 264.457 3.229 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417851290 380683556 /nfs/dbraw/zinc/68/35/56/380683556.db2.gz FUOGSWARXTZDBX-WBAXXEDZSA-N 2 1 283.419 3.221 20 0 CGADMP Clc1cc2c(s1)CC[N@@H+](CCCn1ccnc1)C2 ZINC000645954322 380785346 /nfs/dbraw/zinc/78/53/46/380785346.db2.gz CEWHZDBFGQXRNF-UHFFFAOYSA-N 2 1 281.812 3.046 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000419328412 380803369 /nfs/dbraw/zinc/80/33/69/380803369.db2.gz FOAYJEFDVRQVQF-UHFFFAOYSA-N 2 1 271.408 3.111 20 0 CGADMP CCC(C)(C)CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420381886 380850730 /nfs/dbraw/zinc/85/07/30/380850730.db2.gz CVKMWDLVKFVSSR-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000421372305 380910732 /nfs/dbraw/zinc/91/07/32/380910732.db2.gz FQHFNAOVZGSTND-HNNXBMFYSA-N 2 1 292.442 3.468 20 0 CGADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357050335 381013940 /nfs/dbraw/zinc/01/39/40/381013940.db2.gz MFRVGZVJOREWFC-CQSZACIVSA-N 2 1 293.480 3.088 20 0 CGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000359994334 381402832 /nfs/dbraw/zinc/40/28/32/381402832.db2.gz MOYDCVGNYKLMSH-TWMKSMIVSA-N 2 1 264.457 3.419 20 0 CGADMP CCOc1ccccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360166106 381465558 /nfs/dbraw/zinc/46/55/58/381465558.db2.gz OZDQWRCQMKGOHH-UHFFFAOYSA-N 2 1 290.451 3.297 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000360985285 381642965 /nfs/dbraw/zinc/64/29/65/381642965.db2.gz HACOLRZTIJAKSO-BRSBDYLESA-N 2 1 294.483 3.046 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000361349160 381711294 /nfs/dbraw/zinc/71/12/94/381711294.db2.gz RYXBUDVKWIRZCV-QZTJIDSGSA-N 2 1 284.447 3.350 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000361532438 381789029 /nfs/dbraw/zinc/78/90/29/381789029.db2.gz XVOXGVQDXVGUBV-OAHLLOKOSA-N 2 1 263.429 3.340 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000361532438 381789036 /nfs/dbraw/zinc/78/90/36/381789036.db2.gz XVOXGVQDXVGUBV-OAHLLOKOSA-N 2 1 263.429 3.340 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(C)(C)O)CC1 ZINC000362221591 381911143 /nfs/dbraw/zinc/91/11/43/381911143.db2.gz PAJKUYCMSXAZCZ-MRXNPFEDSA-N 2 1 296.499 3.124 20 0 CGADMP c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000228553710 542298863 /nfs/dbraw/zinc/29/88/63/542298863.db2.gz NKZSTHQYELHOGP-RDTXWAMCSA-N 2 1 270.420 3.097 20 0 CGADMP CSC1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000365671115 382292245 /nfs/dbraw/zinc/29/22/45/382292245.db2.gz FXYYSDZGHFZGAE-OAHLLOKOSA-N 2 1 282.497 3.222 20 0 CGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000245872709 542324270 /nfs/dbraw/zinc/32/42/70/542324270.db2.gz ADDPCEMPKFULOD-ZIAGYGMSSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000245872709 542324275 /nfs/dbraw/zinc/32/42/75/542324275.db2.gz ADDPCEMPKFULOD-ZIAGYGMSSA-N 2 1 278.444 3.023 20 0 CGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000245872709 542324278 /nfs/dbraw/zinc/32/42/78/542324278.db2.gz ADDPCEMPKFULOD-ZIAGYGMSSA-N 2 1 278.444 3.023 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C[C@H](C)O1 ZINC000366668576 382315423 /nfs/dbraw/zinc/31/54/23/382315423.db2.gz PGRCUKOTAZQZRZ-KYHPRHEASA-N 2 1 294.483 3.329 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000366949674 382327131 /nfs/dbraw/zinc/32/71/31/382327131.db2.gz DBBJZACHQXWMKC-INIZCTEOSA-N 2 1 262.441 3.151 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000366964247 382328056 /nfs/dbraw/zinc/32/80/56/382328056.db2.gz SPLCCFLUZJYVHD-KURKYZTESA-N 2 1 296.499 3.124 20 0 CGADMP C[N@H+](CCC[NH2+][C@H]1CCCc2n[nH]cc21)C1CCCCC1 ZINC000367599191 382351419 /nfs/dbraw/zinc/35/14/19/382351419.db2.gz GYAQTVFOUOYIIB-INIZCTEOSA-N 2 1 290.455 3.031 20 0 CGADMP C[N@@H+](CCC[NH2+][C@H]1CCCc2n[nH]cc21)C1CCCCC1 ZINC000367599191 382351425 /nfs/dbraw/zinc/35/14/25/382351425.db2.gz GYAQTVFOUOYIIB-INIZCTEOSA-N 2 1 290.455 3.031 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251780493 542347692 /nfs/dbraw/zinc/34/76/92/542347692.db2.gz NBCBGYAIQACJBZ-BXUZGUMPSA-N 2 1 286.341 3.265 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251780493 542347695 /nfs/dbraw/zinc/34/76/95/542347695.db2.gz NBCBGYAIQACJBZ-BXUZGUMPSA-N 2 1 286.341 3.265 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250449483 542343055 /nfs/dbraw/zinc/34/30/55/542343055.db2.gz WSRZGZSHKKJVHX-CZUORRHYSA-N 2 1 278.465 3.275 20 0 CGADMP CSc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000356113597 532956485 /nfs/dbraw/zinc/95/64/85/532956485.db2.gz QEZKSVITQZMDSE-UHFFFAOYSA-N 2 1 272.483 3.147 20 0 CGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)c1cccc(O)c1 ZINC000414747838 285034103 /nfs/dbraw/zinc/03/41/03/285034103.db2.gz NETKIOKETLRCMF-RRFJBIMHSA-N 2 1 276.424 3.163 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1ccccc1F ZINC000281009275 195067207 /nfs/dbraw/zinc/06/72/07/195067207.db2.gz OBYVEKRKCKTDAH-KEYYUXOJSA-N 2 1 278.415 3.077 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359201256 533024421 /nfs/dbraw/zinc/02/44/21/533024421.db2.gz ZHYMVEPDCAVFDR-QGZVFWFLSA-N 2 1 288.435 3.222 20 0 CGADMP C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1[NH3+] ZINC000335333788 208215197 /nfs/dbraw/zinc/21/51/97/208215197.db2.gz GKPUWTZSTQBSPR-IAQYHMDHSA-N 2 1 289.810 3.057 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1[NH3+] ZINC000335333788 208215202 /nfs/dbraw/zinc/21/52/02/208215202.db2.gz GKPUWTZSTQBSPR-IAQYHMDHSA-N 2 1 289.810 3.057 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000414720766 285098539 /nfs/dbraw/zinc/09/85/39/285098539.db2.gz ZTYYXAJQEHCHPV-QGZVFWFLSA-N 2 1 260.425 3.267 20 0 CGADMP CC[N@@H+](Cc1cccc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435386579 285106759 /nfs/dbraw/zinc/10/67/59/285106759.db2.gz UMUNABHHFBUEHT-KRWDZBQOSA-N 2 1 283.419 3.199 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753507 220305145 /nfs/dbraw/zinc/30/51/45/220305145.db2.gz XCJHFXYIUYFOGX-JSGCOSHPSA-N 2 1 252.427 3.053 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753507 220305147 /nfs/dbraw/zinc/30/51/47/220305147.db2.gz XCJHFXYIUYFOGX-JSGCOSHPSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753507 220305152 /nfs/dbraw/zinc/30/51/52/220305152.db2.gz XCJHFXYIUYFOGX-JSGCOSHPSA-N 2 1 252.427 3.053 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753507 220305159 /nfs/dbraw/zinc/30/51/59/220305159.db2.gz XCJHFXYIUYFOGX-JSGCOSHPSA-N 2 1 252.427 3.053 20 0 CGADMP C[N@H+](CC1=Cc2ccccc2OC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289271812 197281076 /nfs/dbraw/zinc/28/10/76/197281076.db2.gz GJLUOJFTOVMFHP-JWTNVVGKSA-N 2 1 298.430 3.019 20 0 CGADMP C[N@@H+](CC1=Cc2ccccc2OC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289271812 197281077 /nfs/dbraw/zinc/28/10/77/197281077.db2.gz GJLUOJFTOVMFHP-JWTNVVGKSA-N 2 1 298.430 3.019 20 0 CGADMP C[NH+](CC1=Cc2ccccc2OC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289271812 197281078 /nfs/dbraw/zinc/28/10/78/197281078.db2.gz GJLUOJFTOVMFHP-JWTNVVGKSA-N 2 1 298.430 3.019 20 0 CGADMP C[NH+](CC1=Cc2ccccc2OC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289271812 197281079 /nfs/dbraw/zinc/28/10/79/197281079.db2.gz GJLUOJFTOVMFHP-JWTNVVGKSA-N 2 1 298.430 3.019 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000298363364 542410844 /nfs/dbraw/zinc/41/08/44/542410844.db2.gz KFPVXDMYNNOMFB-UHFFFAOYSA-N 2 1 297.446 3.498 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000300247771 542411555 /nfs/dbraw/zinc/41/15/55/542411555.db2.gz CRIPXJMTEMSDJL-DUVNUKRYSA-N 2 1 278.827 3.208 20 0 CGADMP Cc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2n1 ZINC000334271489 542455723 /nfs/dbraw/zinc/45/57/23/542455723.db2.gz HEWRACPOROCGPI-IBGZPJMESA-N 2 1 295.430 3.119 20 0 CGADMP c1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000339068446 542486257 /nfs/dbraw/zinc/48/62/57/542486257.db2.gz QHOIXJVKBYENEN-MSOLQXFVSA-N 2 1 284.447 3.325 20 0 CGADMP COC[C@H](CC(C)C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000480613053 285371448 /nfs/dbraw/zinc/37/14/48/285371448.db2.gz LXEQZNIYVACEBC-SJORKVTESA-N 2 1 284.488 3.292 20 0 CGADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1csc(-c2ccccc2)n1 ZINC000423301804 533408283 /nfs/dbraw/zinc/40/82/83/533408283.db2.gz GOBJQCBLPWSSKF-NWDGAFQWSA-N 2 1 275.421 3.056 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(SCC(F)F)cc1)[C@H](C)[NH3+] ZINC000423443433 533503985 /nfs/dbraw/zinc/50/39/85/533503985.db2.gz KKNCPEDIFDNLDN-AXFHLTTASA-N 2 1 288.407 3.430 20 0 CGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422774628 533515225 /nfs/dbraw/zinc/51/52/25/533515225.db2.gz XUNLEWPAIUZJMJ-MJGOQNOKSA-N 2 1 296.414 3.278 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc2ccccc2o1 ZINC000424377538 533519887 /nfs/dbraw/zinc/51/98/87/533519887.db2.gz RJAZMOSEAWDPPX-MRVWCRGKSA-N 2 1 258.365 3.353 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1csc(Cl)c1 ZINC000423375889 533546962 /nfs/dbraw/zinc/54/69/62/533546962.db2.gz IZXRGPVMCAWWGA-KKZNHRDASA-N 2 1 258.818 3.193 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000424189114 533659293 /nfs/dbraw/zinc/65/92/93/533659293.db2.gz ZSLOWASHALUDHT-HYVNUMGLSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000424189114 533659300 /nfs/dbraw/zinc/65/93/00/533659300.db2.gz ZSLOWASHALUDHT-HYVNUMGLSA-N 2 1 270.420 3.182 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000414176058 533657756 /nfs/dbraw/zinc/65/77/56/533657756.db2.gz HJCSRQIQLKGCIZ-NWJSVONSSA-N 2 1 296.817 3.407 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@H+]1C ZINC000414176058 533657774 /nfs/dbraw/zinc/65/77/74/533657774.db2.gz HJCSRQIQLKGCIZ-NWJSVONSSA-N 2 1 296.817 3.407 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378921778 542593079 /nfs/dbraw/zinc/59/30/79/542593079.db2.gz PUKUUNSTTNPQEE-YRXWBPOGSA-N 2 1 284.447 3.287 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000390722805 542610766 /nfs/dbraw/zinc/61/07/66/542610766.db2.gz OSNGRMIXQXPFBQ-NVXWUHKLSA-N 2 1 272.436 3.287 20 0 CGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000414911018 542639416 /nfs/dbraw/zinc/63/94/16/542639416.db2.gz DFSBMSDNQLFBOX-RKDXNWHRSA-N 2 1 279.236 3.414 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000049686559 392056951 /nfs/dbraw/zinc/05/69/51/392056951.db2.gz QLSBYUWLMFHTKB-UHFFFAOYSA-N 2 1 264.438 3.081 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1F ZINC000050544600 392064718 /nfs/dbraw/zinc/06/47/18/392064718.db2.gz SPTOCXNYSVNZIW-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000050544600 392064723 /nfs/dbraw/zinc/06/47/23/392064723.db2.gz SPTOCXNYSVNZIW-OAHLLOKOSA-N 2 1 278.415 3.488 20 0 CGADMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[C@@H]1[NH3+] ZINC000094342689 392241022 /nfs/dbraw/zinc/24/10/22/392241022.db2.gz JTYCUFYEHLRFFB-GWCFXTLKSA-N 2 1 275.783 3.062 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000361877618 392349968 /nfs/dbraw/zinc/34/99/68/392349968.db2.gz QKLFMIAALWHUAX-BEFAXECRSA-N 2 1 295.430 3.178 20 0 CGADMP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246097335 131091196 /nfs/dbraw/zinc/09/11/96/131091196.db2.gz AXTOUFCPOAUCSN-RDJZCZTQSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246097335 131091197 /nfs/dbraw/zinc/09/11/97/131091197.db2.gz AXTOUFCPOAUCSN-RDJZCZTQSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246097335 131091199 /nfs/dbraw/zinc/09/11/99/131091199.db2.gz AXTOUFCPOAUCSN-RDJZCZTQSA-N 2 1 260.425 3.411 20 0 CGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246097335 131091200 /nfs/dbraw/zinc/09/12/00/131091200.db2.gz AXTOUFCPOAUCSN-RDJZCZTQSA-N 2 1 260.425 3.411 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@@H](C)C1 ZINC000247099347 131100145 /nfs/dbraw/zinc/10/01/45/131100145.db2.gz SGOPBFMQRZRBDG-BBRMVZONSA-N 2 1 280.843 3.202 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000250770161 131127898 /nfs/dbraw/zinc/12/78/98/131127898.db2.gz UYPZFKRFPCKLEX-OLZOCXBDSA-N 2 1 282.790 3.196 20 0 CGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000250770161 131127900 /nfs/dbraw/zinc/12/79/00/131127900.db2.gz UYPZFKRFPCKLEX-OLZOCXBDSA-N 2 1 282.790 3.196 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccc(OC)cc2)CC1 ZINC000109786721 392375383 /nfs/dbraw/zinc/37/53/83/392375383.db2.gz BKYXWSYEIPYMSA-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000453289730 542681495 /nfs/dbraw/zinc/68/14/95/542681495.db2.gz MNEVPNVLTTVCHE-MOPGFXCFSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000453289730 542681501 /nfs/dbraw/zinc/68/15/01/542681501.db2.gz MNEVPNVLTTVCHE-MOPGFXCFSA-N 2 1 295.430 3.315 20 0 CGADMP CSCc1cc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000362015790 392388529 /nfs/dbraw/zinc/38/85/29/392388529.db2.gz OUBIHQXLYJXEAG-BLLLJJGKSA-N 2 1 296.455 3.119 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000128100832 392449286 /nfs/dbraw/zinc/44/92/86/392449286.db2.gz VIDOGPMONQRURJ-QKPAOTATSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000362104226 392406568 /nfs/dbraw/zinc/40/65/68/392406568.db2.gz XBTLVWQMQOKCTG-GOSISDBHSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000362104226 392406572 /nfs/dbraw/zinc/40/65/72/392406572.db2.gz XBTLVWQMQOKCTG-GOSISDBHSA-N 2 1 283.419 3.245 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)CC[N@H+]1C ZINC000153397153 392517754 /nfs/dbraw/zinc/51/77/54/392517754.db2.gz IQNGHSCNTPBNOK-KXBFYZLASA-N 2 1 295.430 3.321 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C(C)C)cc1F ZINC000153700589 392526089 /nfs/dbraw/zinc/52/60/89/392526089.db2.gz IDQKFYPDWSNWPA-LBPRGKRZSA-N 2 1 275.371 3.454 20 0 CGADMP CC[C@@H](CN[C@@H]1CCc2cc(F)ccc21)[NH+]1CCCC1 ZINC000151654563 392486475 /nfs/dbraw/zinc/48/64/75/392486475.db2.gz NZEGNLMUXPHPND-DOTOQJQBSA-N 2 1 276.399 3.277 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000368107601 392486940 /nfs/dbraw/zinc/48/69/40/392486940.db2.gz GKBZDPRLEIMZAU-QSPRXWTASA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000368107601 392486945 /nfs/dbraw/zinc/48/69/45/392486945.db2.gz GKBZDPRLEIMZAU-QSPRXWTASA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000368107601 392486948 /nfs/dbraw/zinc/48/69/48/392486948.db2.gz GKBZDPRLEIMZAU-QSPRXWTASA-N 2 1 262.441 3.005 20 0 CGADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000368107601 392486953 /nfs/dbraw/zinc/48/69/53/392486953.db2.gz GKBZDPRLEIMZAU-QSPRXWTASA-N 2 1 262.441 3.005 20 0 CGADMP Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c2cc(F)ccc2[nH+]1 ZINC000292414990 392504572 /nfs/dbraw/zinc/50/45/72/392504572.db2.gz WBPZLYRXAXYXLQ-SFHVURJKSA-N 2 1 299.393 3.214 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000152374490 392505531 /nfs/dbraw/zinc/50/55/31/392505531.db2.gz QJAWAPGYCKNUDF-DGCLKSJQSA-N 2 1 293.480 3.149 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccn1 ZINC000152380026 392505663 /nfs/dbraw/zinc/50/56/63/392505663.db2.gz SDKTWKOOOVTCRL-MAUKXSAKSA-N 2 1 287.451 3.243 20 0 CGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000152380026 392505669 /nfs/dbraw/zinc/50/56/69/392505669.db2.gz SDKTWKOOOVTCRL-MAUKXSAKSA-N 2 1 287.451 3.243 20 0 CGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000298510254 392575677 /nfs/dbraw/zinc/57/56/77/392575677.db2.gz QWMYCZKCEAJGHP-UHFFFAOYSA-N 2 1 288.410 3.074 20 0 CGADMP CS[C@H]1CCCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000372182312 392590848 /nfs/dbraw/zinc/59/08/48/392590848.db2.gz VSRPCIDLNCYNKM-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP CS[C@H]1CCCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000372182312 392590851 /nfs/dbraw/zinc/59/08/51/392590851.db2.gz VSRPCIDLNCYNKM-GJZGRUSLSA-N 2 1 270.486 3.078 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162228580 392592625 /nfs/dbraw/zinc/59/26/25/392592625.db2.gz HSXVJTNMOZDVBL-TZMCWYRMSA-N 2 1 290.455 3.086 20 0 CGADMP CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162228833 392593062 /nfs/dbraw/zinc/59/30/62/392593062.db2.gz HSXVJTNMOZDVBL-OCCSQVGLSA-N 2 1 290.455 3.086 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000162453986 392595969 /nfs/dbraw/zinc/59/59/69/392595969.db2.gz PFAPORUGQUEBII-CQSZACIVSA-N 2 1 272.396 3.060 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000162453986 392595972 /nfs/dbraw/zinc/59/59/72/392595972.db2.gz PFAPORUGQUEBII-CQSZACIVSA-N 2 1 272.396 3.060 20 0 CGADMP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2[nH+]1 ZINC000301712301 392597118 /nfs/dbraw/zinc/59/71/18/392597118.db2.gz LEFULFYKDNENOB-MAUKXSAKSA-N 2 1 295.430 3.464 20 0 CGADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)s1 ZINC000163220518 392602808 /nfs/dbraw/zinc/60/28/08/392602808.db2.gz DSTINDWHTDSNHM-YPMHNXCESA-N 2 1 281.469 3.006 20 0 CGADMP C[NH+]1CCC([NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000647330452 392674106 /nfs/dbraw/zinc/67/41/06/392674106.db2.gz JMEOGVDKEPVFEZ-INIZCTEOSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000479951630 542705747 /nfs/dbraw/zinc/70/57/47/542705747.db2.gz CUJDBAOZMARDCC-BGYRXZFFSA-N 2 1 292.426 3.313 20 0 CGADMP C1CC1[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000311336914 392661830 /nfs/dbraw/zinc/66/18/30/392661830.db2.gz GLBMOMSWHMGYSO-UHFFFAOYSA-N 2 1 262.441 3.172 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3ccccc3C)CC2)CC1 ZINC000647316242 392661922 /nfs/dbraw/zinc/66/19/22/392661922.db2.gz WGHXMFHPVSWJMB-UHFFFAOYSA-N 2 1 258.409 3.058 20 0 CGADMP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479672 392735063 /nfs/dbraw/zinc/73/50/63/392735063.db2.gz PCCXVVPGZIGKLL-QRQLOZEOSA-N 2 1 286.463 3.329 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1[NH3+] ZINC000647498981 392742109 /nfs/dbraw/zinc/74/21/09/392742109.db2.gz WHCGYCGEOVACEM-FUHWJXTLSA-N 2 1 295.430 3.308 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1[NH3+] ZINC000647498672 392742493 /nfs/dbraw/zinc/74/24/93/392742493.db2.gz MSOBQYGCXWPSRG-APWZRJJASA-N 2 1 295.430 3.308 20 0 CGADMP CC[C@@H]1C[N@H+](Cc2cnc(C3CCCC3)s2)CC[C@@H]1[NH3+] ZINC000647498203 392742813 /nfs/dbraw/zinc/74/28/13/392742813.db2.gz COWOJPFNHBGKOY-DOMZBBRYSA-N 2 1 293.480 3.360 20 0 CGADMP CC[C@@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CC[C@@H]1[NH3+] ZINC000647498203 392742815 /nfs/dbraw/zinc/74/28/15/392742815.db2.gz COWOJPFNHBGKOY-DOMZBBRYSA-N 2 1 293.480 3.360 20 0 CGADMP CC(C)(C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000647511758 392744683 /nfs/dbraw/zinc/74/46/83/392744683.db2.gz AORWEHCURLACLL-BHYGNILZSA-N 2 1 272.436 3.023 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000647531449 392753204 /nfs/dbraw/zinc/75/32/04/392753204.db2.gz XONUJSIPUJHVQV-UHFFFAOYSA-N 2 1 288.435 3.321 20 0 CGADMP CC1([NH3+])CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000647531429 392754492 /nfs/dbraw/zinc/75/44/92/392754492.db2.gz WFXBVMNDENYFGB-UHFFFAOYSA-N 2 1 287.432 3.123 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534743 392755374 /nfs/dbraw/zinc/75/53/74/392755374.db2.gz VEOHDRBJVJNGRV-LULLPPNCSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534743 392755375 /nfs/dbraw/zinc/75/53/75/392755375.db2.gz VEOHDRBJVJNGRV-LULLPPNCSA-N 2 1 284.447 3.181 20 0 CGADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000647541534 392757781 /nfs/dbraw/zinc/75/77/81/392757781.db2.gz YIRWUDYNUUDRDD-GOSISDBHSA-N 2 1 270.420 3.140 20 0 CGADMP Fc1cccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542928 392760032 /nfs/dbraw/zinc/76/00/32/392760032.db2.gz DTFGWZDHOSLBAX-ZIAGYGMSSA-N 2 1 294.389 3.176 20 0 CGADMP c1cc2cnccc2c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000647545700 392762672 /nfs/dbraw/zinc/76/26/72/392762672.db2.gz GEWHTVZVWQCBNW-WBVHZDCISA-N 2 1 295.430 3.056 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647937318 392840079 /nfs/dbraw/zinc/84/00/79/392840079.db2.gz VTMCJWJNGAECFT-RLCCDNCMSA-N 2 1 282.378 3.475 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647937318 392840083 /nfs/dbraw/zinc/84/00/83/392840083.db2.gz VTMCJWJNGAECFT-RLCCDNCMSA-N 2 1 282.378 3.475 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000510734782 392813502 /nfs/dbraw/zinc/81/35/02/392813502.db2.gz ODGHVDJODLMZTP-HZSPNIEDSA-N 2 1 296.405 3.358 20 0 CGADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000510734782 392813506 /nfs/dbraw/zinc/81/35/06/392813506.db2.gz ODGHVDJODLMZTP-HZSPNIEDSA-N 2 1 296.405 3.358 20 0 CGADMP CCC1CCC([N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000647880375 392822912 /nfs/dbraw/zinc/82/29/12/392822912.db2.gz PVKOZBWPBRHANW-SHARSMKWSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)CCC(F)(F)F ZINC000647883473 392825285 /nfs/dbraw/zinc/82/52/85/392825285.db2.gz VHIYIONDMNVXEK-UHFFFAOYSA-N 2 1 266.351 3.041 20 0 CGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000647889322 392826566 /nfs/dbraw/zinc/82/65/66/392826566.db2.gz GAIHOTSIHKQTSI-ROUUACIJSA-N 2 1 274.452 3.248 20 0 CGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647889332 392827229 /nfs/dbraw/zinc/82/72/29/392827229.db2.gz HXYWCFRNLUMWBX-SZMVWBNQSA-N 2 1 272.436 3.172 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000380835262 392905567 /nfs/dbraw/zinc/90/55/67/392905567.db2.gz LSFJHJYATKITJO-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCSc1ccc(Cl)cc1 ZINC000520247840 392914284 /nfs/dbraw/zinc/91/42/84/392914284.db2.gz GQFNZEYWXFFUQM-DGCLKSJQSA-N 2 1 284.856 3.244 20 0 CGADMP Cc1c[nH+]ccc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000192638478 392857434 /nfs/dbraw/zinc/85/74/34/392857434.db2.gz WTCBRUHCFXDXLL-KRWDZBQOSA-N 2 1 295.430 3.491 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@H](C2CC2)C1)[NH+]1CC[C@@H](C2CC2)C1 ZINC000491242807 542717193 /nfs/dbraw/zinc/71/71/93/542717193.db2.gz IWDRQSHIJIVOBA-FHLIZLRMSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H](C2CC2)C1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491242807 542717197 /nfs/dbraw/zinc/71/71/97/542717197.db2.gz IWDRQSHIJIVOBA-FHLIZLRMSA-N 2 1 276.468 3.229 20 0 CGADMP C[C@H](CC[NH+]1CC[C@H](C2CC2)C1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491242807 542717202 /nfs/dbraw/zinc/71/72/02/542717202.db2.gz IWDRQSHIJIVOBA-FHLIZLRMSA-N 2 1 276.468 3.229 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000513713365 542733121 /nfs/dbraw/zinc/73/31/21/542733121.db2.gz NUBAEVZLRSRWBX-IAGOWNOFSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000513713364 542733222 /nfs/dbraw/zinc/73/32/22/542733222.db2.gz NUBAEVZLRSRWBX-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000514090884 542734252 /nfs/dbraw/zinc/73/42/52/542734252.db2.gz WYRTVDWODKGWSJ-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000194855806 392942197 /nfs/dbraw/zinc/94/21/97/392942197.db2.gz ZQSNQOGHTXERFL-KBPBESRZSA-N 2 1 278.465 3.401 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C1CCCC1 ZINC000464060807 392972880 /nfs/dbraw/zinc/97/28/80/392972880.db2.gz FHZBAVZOZINLJX-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C1CCCC1 ZINC000464060807 392972885 /nfs/dbraw/zinc/97/28/85/392972885.db2.gz FHZBAVZOZINLJX-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccco2)C[C@@H]1c1ccccc1 ZINC000340186719 392965218 /nfs/dbraw/zinc/96/52/18/392965218.db2.gz YMBWNFYZWBJCAD-FUHWJXTLSA-N 2 1 284.403 3.247 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccco2)C[C@@H]1c1ccccc1 ZINC000340186719 392965222 /nfs/dbraw/zinc/96/52/22/392965222.db2.gz YMBWNFYZWBJCAD-FUHWJXTLSA-N 2 1 284.403 3.247 20 0 CGADMP COCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340214329 392968749 /nfs/dbraw/zinc/96/87/49/392968749.db2.gz UVVOTQSLGGPKAU-ROUUACIJSA-N 2 1 290.451 3.228 20 0 CGADMP COCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340214329 392968752 /nfs/dbraw/zinc/96/87/52/392968752.db2.gz UVVOTQSLGGPKAU-ROUUACIJSA-N 2 1 290.451 3.228 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)CCO1 ZINC000648418487 393009017 /nfs/dbraw/zinc/00/90/17/393009017.db2.gz ZALFBHHDGXUCQI-RCCFBDPRSA-N 2 1 296.499 3.290 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228472715 393018482 /nfs/dbraw/zinc/01/84/82/393018482.db2.gz GHIHWMHBBCROQI-QMCVQRASSA-N 2 1 258.409 3.115 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccnc2ccccc12 ZINC000545993549 393022483 /nfs/dbraw/zinc/02/24/83/393022483.db2.gz QTWZNUPIVSVKPO-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccnc2ccccc12 ZINC000545993549 393022489 /nfs/dbraw/zinc/02/24/89/393022489.db2.gz QTWZNUPIVSVKPO-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248134281 393083590 /nfs/dbraw/zinc/08/35/90/393083590.db2.gz OVDKXOBGTUBTIE-KMFMINBZSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248134281 393083594 /nfs/dbraw/zinc/08/35/94/393083594.db2.gz OVDKXOBGTUBTIE-KMFMINBZSA-N 2 1 276.399 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248134281 393083598 /nfs/dbraw/zinc/08/35/98/393083598.db2.gz OVDKXOBGTUBTIE-KMFMINBZSA-N 2 1 276.399 3.303 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@@H]3CCC[N@@H+](C)C3)[nH+]c2c1 ZINC000547304698 393102882 /nfs/dbraw/zinc/10/28/82/393102882.db2.gz LWGHANKCSHHOJJ-HNNXBMFYSA-N 2 1 283.419 3.027 20 0 CGADMP Cc1ccc2c(C)cc(NC[C@@H]3CCC[N@H+](C)C3)[nH+]c2c1 ZINC000547304698 393102887 /nfs/dbraw/zinc/10/28/87/393102887.db2.gz LWGHANKCSHHOJJ-HNNXBMFYSA-N 2 1 283.419 3.027 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000344085338 393037703 /nfs/dbraw/zinc/03/77/03/393037703.db2.gz PXSAINUBNDUNKE-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000344085338 393037708 /nfs/dbraw/zinc/03/77/08/393037708.db2.gz PXSAINUBNDUNKE-MRXNPFEDSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000414179921 393042072 /nfs/dbraw/zinc/04/20/72/393042072.db2.gz AZZLRWFZSQOJOF-GJVDQKBNSA-N 2 1 264.457 3.131 20 0 CGADMP CCC1(C)CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000344649361 393048035 /nfs/dbraw/zinc/04/80/35/393048035.db2.gz ZLDHYPMULICWKE-UIDBIOKJSA-N 2 1 252.446 3.418 20 0 CGADMP CCC1(C)CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000344649361 393048040 /nfs/dbraw/zinc/04/80/40/393048040.db2.gz ZLDHYPMULICWKE-UIDBIOKJSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695682 393051913 /nfs/dbraw/zinc/05/19/13/393051913.db2.gz GYYCMUSGNSXHDX-CGTJXYLNSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414698198 393052769 /nfs/dbraw/zinc/05/27/69/393052769.db2.gz IRHIRIGQCGPJTE-KYHPRHEASA-N 2 1 272.436 3.253 20 0 CGADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414880682 393057814 /nfs/dbraw/zinc/05/78/14/393057814.db2.gz KJEGHTPUIGQNGT-RYQLBKOJSA-N 2 1 288.435 3.061 20 0 CGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414954775 393062754 /nfs/dbraw/zinc/06/27/54/393062754.db2.gz KVVXJYVRMZLUEV-TVQRCGJNSA-N 2 1 273.207 3.081 20 0 CGADMP Cc1ccc([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000246885148 393066482 /nfs/dbraw/zinc/06/64/82/393066482.db2.gz IILPCDPAGKTXJS-NVXWUHKLSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccc([C@@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000246885148 393066486 /nfs/dbraw/zinc/06/64/86/393066486.db2.gz IILPCDPAGKTXJS-NVXWUHKLSA-N 2 1 260.425 3.472 20 0 CGADMP Cc1ccc([C@@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000246885148 393066490 /nfs/dbraw/zinc/06/64/90/393066490.db2.gz IILPCDPAGKTXJS-NVXWUHKLSA-N 2 1 260.425 3.472 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000246965597 393067856 /nfs/dbraw/zinc/06/78/56/393067856.db2.gz LLCMVKQCVVQQSS-OZSLIKBDSA-N 2 1 264.457 3.418 20 0 CGADMP CC[NH2+][C@H](C)C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414963641 393068963 /nfs/dbraw/zinc/06/89/63/393068963.db2.gz UJFQMALLZSZKPJ-VXGBXAGGSA-N 2 1 254.805 3.031 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000648510804 393072982 /nfs/dbraw/zinc/07/29/82/393072982.db2.gz XVJWBXKNEHZYFY-LISAXSMJSA-N 2 1 294.483 3.187 20 0 CGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414978504 393076782 /nfs/dbraw/zinc/07/67/82/393076782.db2.gz MBSAJUNBDIHIKP-ZDUSSCGKSA-N 2 1 278.396 3.381 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000415052552 393115098 /nfs/dbraw/zinc/11/50/98/393115098.db2.gz IMFRFZDAIXDQBH-CQSZACIVSA-N 2 1 286.822 3.375 20 0 CGADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415056614 393117067 /nfs/dbraw/zinc/11/70/67/393117067.db2.gz SRGFUSYECKQUQO-XWSJACJDSA-N 2 1 284.447 3.254 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC000251772336 393120181 /nfs/dbraw/zinc/12/01/81/393120181.db2.gz FCUKNCHNSWTLBF-FPCVCCKLSA-N 2 1 252.446 3.275 20 0 CGADMP CSc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415060898 393122203 /nfs/dbraw/zinc/12/22/03/393122203.db2.gz ZGOSJHXETMNCBW-OAHLLOKOSA-N 2 1 264.438 3.016 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252847976 393127051 /nfs/dbraw/zinc/12/70/51/393127051.db2.gz GHIHWMHBBCROQI-HJWJTTGWSA-N 2 1 258.409 3.115 20 0 CGADMP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415078255 393131263 /nfs/dbraw/zinc/13/12/63/393131263.db2.gz GFLPKUDJCRLFMZ-ROUUACIJSA-N 2 1 284.378 3.409 20 0 CGADMP c1csc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415083903 393135734 /nfs/dbraw/zinc/13/57/34/393135734.db2.gz GCCXVZIRNLTFNR-ZBFHGGJFSA-N 2 1 272.417 3.331 20 0 CGADMP C[C@@H]1SCC[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000261869431 393143129 /nfs/dbraw/zinc/14/31/29/393143129.db2.gz ONWMYAADOBKRDT-USXIJHARSA-N 2 1 290.476 3.165 20 0 CGADMP CC(C)C[C@H]([NH3+])C[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000415107292 393147056 /nfs/dbraw/zinc/14/70/56/393147056.db2.gz NPQNBYFTPNMTFH-INIZCTEOSA-N 2 1 292.467 3.326 20 0 CGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC[NH2+]2)cc1 ZINC000415108992 393147370 /nfs/dbraw/zinc/14/73/70/393147370.db2.gz LKVOKHCFYGHHOX-PNKHAZJDSA-N 2 1 270.420 3.258 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415125532 393153910 /nfs/dbraw/zinc/15/39/10/393153910.db2.gz LLAQFCHRJBWKDS-WBVHZDCISA-N 2 1 290.451 3.282 20 0 CGADMP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415130960 393154251 /nfs/dbraw/zinc/15/42/51/393154251.db2.gz YEKRBORLESFMGL-UHFFFAOYSA-N 2 1 294.748 3.400 20 0 CGADMP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415130960 393154254 /nfs/dbraw/zinc/15/42/54/393154254.db2.gz YEKRBORLESFMGL-UHFFFAOYSA-N 2 1 294.748 3.400 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C[C@H]1C[NH3+] ZINC000415133180 393155806 /nfs/dbraw/zinc/15/58/06/393155806.db2.gz UXWYOMJHLPUABY-DNVCBOLYSA-N 2 1 295.430 3.165 20 0 CGADMP CCC[N@@H+](C[C@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000470010111 393223338 /nfs/dbraw/zinc/22/33/38/393223338.db2.gz XCCPVRQOUPRBHL-HUUCEWRRSA-N 2 1 252.446 3.277 20 0 CGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000355039988 393253995 /nfs/dbraw/zinc/25/39/95/393253995.db2.gz PUOTXDSHJKLVQU-MSOLQXFVSA-N 2 1 284.447 3.350 20 0 CGADMP CCC[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000271906926 393255364 /nfs/dbraw/zinc/25/53/64/393255364.db2.gz LJTXXDOBWUOJOZ-INIZCTEOSA-N 2 1 260.425 3.254 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000475197874 393381253 /nfs/dbraw/zinc/38/12/53/393381253.db2.gz ZCQDUWJUJVHKJJ-KZNAEPCWSA-N 2 1 296.499 3.292 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000475197874 393381259 /nfs/dbraw/zinc/38/12/59/393381259.db2.gz ZCQDUWJUJVHKJJ-KZNAEPCWSA-N 2 1 296.499 3.292 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647210889 393389897 /nfs/dbraw/zinc/38/98/97/393389897.db2.gz GDFUJMFZAPGXIK-ZDUSSCGKSA-N 2 1 260.372 3.028 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647210889 393389906 /nfs/dbraw/zinc/38/99/06/393389906.db2.gz GDFUJMFZAPGXIK-ZDUSSCGKSA-N 2 1 260.372 3.028 20 0 CGADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000647224562 393396545 /nfs/dbraw/zinc/39/65/45/393396545.db2.gz NTESPHVUSZBNSL-HOTGVXAUSA-N 2 1 270.420 3.201 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000356267168 393399794 /nfs/dbraw/zinc/39/97/94/393399794.db2.gz WZMDKYFFJSSUIJ-INIZCTEOSA-N 2 1 278.440 3.164 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000356267168 393399801 /nfs/dbraw/zinc/39/98/01/393399801.db2.gz WZMDKYFFJSSUIJ-INIZCTEOSA-N 2 1 278.440 3.164 20 0 CGADMP CCSCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000355759404 393339710 /nfs/dbraw/zinc/33/97/10/393339710.db2.gz RAZKZGJCJUKYCO-OAHLLOKOSA-N 2 1 280.481 3.240 20 0 CGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000474484857 393341219 /nfs/dbraw/zinc/34/12/19/393341219.db2.gz MYPGOLZGJOITDL-CVEARBPZSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000474733991 393345262 /nfs/dbraw/zinc/34/52/62/393345262.db2.gz ZZOFAAIOLDFGSW-KURKYZTESA-N 2 1 296.499 3.028 20 0 CGADMP c1ccc2oc([C@@H]3CCC[N@H+](CC[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411584 393415651 /nfs/dbraw/zinc/41/56/51/393415651.db2.gz IVVHZELUJOABBZ-HUUCEWRRSA-N 2 1 299.418 3.007 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000420385142 393480490 /nfs/dbraw/zinc/48/04/90/393480490.db2.gz FGJAOUDYVGCURS-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP c1cc2[nH+]ccc(NCC[C@H]3CCC[NH2+]C3)c2s1 ZINC000420196500 393435474 /nfs/dbraw/zinc/43/54/74/393435474.db2.gz LDGBDOQTYRRXRP-LLVKDONJSA-N 2 1 261.394 3.098 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCCC(F)(F)F ZINC000420287521 393450092 /nfs/dbraw/zinc/45/00/92/393450092.db2.gz HYWIVRJKBTURKY-LLVKDONJSA-N 2 1 254.340 3.024 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)[C@@H](C)C1 ZINC000487267666 393450554 /nfs/dbraw/zinc/45/05/54/393450554.db2.gz FZSDFLVZJRHBHG-HZMVEIRTSA-N 2 1 296.499 3.148 20 0 CGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(C(F)(F)F)c1 ZINC000420298277 393452950 /nfs/dbraw/zinc/45/29/50/393452950.db2.gz DVZGZXWCDIWPDI-GFCCVEGCSA-N 2 1 286.341 3.137 20 0 CGADMP COc1ccc2cc(C[N@@H+](C)CC[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000420302274 393455135 /nfs/dbraw/zinc/45/51/35/393455135.db2.gz JLSOKMFVCHAEPP-HNNXBMFYSA-N 2 1 298.430 3.280 20 0 CGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420303359 393457254 /nfs/dbraw/zinc/45/72/54/393457254.db2.gz NCFNPPWIVUENOD-BHIYHBOVSA-N 2 1 286.463 3.329 20 0 CGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420305764 393457316 /nfs/dbraw/zinc/45/73/16/393457316.db2.gz ZKFSEUIOLFNTKI-OAHLLOKOSA-N 2 1 282.387 3.260 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000488301025 393483152 /nfs/dbraw/zinc/48/31/52/393483152.db2.gz VBBGYNDKNRGFSF-IXDOHACOSA-N 2 1 264.457 3.230 20 0 CGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000420320452 393465677 /nfs/dbraw/zinc/46/56/77/393465677.db2.gz QFGXTDMWCYOJMS-OAHLLOKOSA-N 2 1 278.415 3.427 20 0 CGADMP CCC[N@@H+](CCCc1ccccc1OC)C1CC[NH2+]CC1 ZINC000420324894 393468082 /nfs/dbraw/zinc/46/80/82/393468082.db2.gz VSQZLVBQJPDESO-UHFFFAOYSA-N 2 1 290.451 3.092 20 0 CGADMP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CCC2 ZINC000420334011 393470590 /nfs/dbraw/zinc/47/05/90/393470590.db2.gz KTSWTHXCQWXDDL-DAYGRLMNSA-N 2 1 288.410 3.135 20 0 CGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420335999 393470735 /nfs/dbraw/zinc/47/07/35/393470735.db2.gz VHZVZXBUMQFGKW-CGTJXYLNSA-N 2 1 272.436 3.378 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000420410176 393484057 /nfs/dbraw/zinc/48/40/57/393484057.db2.gz RDZIIHWGQVYWPW-NHYWBVRUSA-N 2 1 268.351 3.005 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000430226781 393543439 /nfs/dbraw/zinc/54/34/39/393543439.db2.gz PPJMVLXCXRWKIO-HNAYVOBHSA-N 2 1 286.463 3.480 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000430226781 393543444 /nfs/dbraw/zinc/54/34/44/393543444.db2.gz PPJMVLXCXRWKIO-HNAYVOBHSA-N 2 1 286.463 3.480 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCCC3)CC[NH+]1C ZINC000430226781 393543448 /nfs/dbraw/zinc/54/34/48/393543448.db2.gz PPJMVLXCXRWKIO-HNAYVOBHSA-N 2 1 286.463 3.480 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCCC3)CC[NH+]1C ZINC000430226781 393543452 /nfs/dbraw/zinc/54/34/52/393543452.db2.gz PPJMVLXCXRWKIO-HNAYVOBHSA-N 2 1 286.463 3.480 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488405827 393500068 /nfs/dbraw/zinc/50/00/68/393500068.db2.gz BNSXIONBYDBOEE-LSDHHAIUSA-N 2 1 281.469 3.091 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000488409028 393501520 /nfs/dbraw/zinc/50/15/20/393501520.db2.gz QXPUTNAPFHDESX-WXLSXGNJSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C1CC([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000488409028 393501527 /nfs/dbraw/zinc/50/15/27/393501527.db2.gz QXPUTNAPFHDESX-WXLSXGNJSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488427139 393508903 /nfs/dbraw/zinc/50/89/03/393508903.db2.gz FNVNPPBNLAIYNL-VYDXJSESSA-N 2 1 272.436 3.458 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCOCC1 ZINC000358466078 393525258 /nfs/dbraw/zinc/52/52/58/393525258.db2.gz ILSZPVLWCSZLHY-ZOBUZTSGSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1c[nH+]ccc1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000359629477 393553420 /nfs/dbraw/zinc/55/34/20/393553420.db2.gz GVNWXVQWDBVWHY-IBGZPJMESA-N 2 1 295.430 3.134 20 0 CGADMP C[C@H]1C[C@@H](C[N@@H+](C2CC2)C2CCCCC2)CC[NH2+]1 ZINC000666621445 542802985 /nfs/dbraw/zinc/80/29/85/542802985.db2.gz VSPBEVNUKOIBSI-KBPBESRZSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000430572197 393576761 /nfs/dbraw/zinc/57/67/61/393576761.db2.gz NPJXBVHXALHSRA-DOTOQJQBSA-N 2 1 298.430 3.278 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000348267615 289006340 /nfs/dbraw/zinc/00/63/40/289006340.db2.gz BNHHAFAVTWVWPP-FRRDWIJNSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000348267615 289006341 /nfs/dbraw/zinc/00/63/41/289006341.db2.gz BNHHAFAVTWVWPP-FRRDWIJNSA-N 2 1 278.362 3.134 20 0 CGADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000348267615 289006344 /nfs/dbraw/zinc/00/63/44/289006344.db2.gz BNHHAFAVTWVWPP-FRRDWIJNSA-N 2 1 278.362 3.134 20 0 CGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC3 ZINC000666769667 542814891 /nfs/dbraw/zinc/81/48/91/542814891.db2.gz AJJGADKMCNOIJT-GJZGRUSLSA-N 2 1 297.446 3.065 20 0 CGADMP CCCCOc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856503 542821054 /nfs/dbraw/zinc/82/10/54/542821054.db2.gz MGDIWOILQTVFKS-INIZCTEOSA-N 2 1 276.424 3.097 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+][C@H](C)CC[NH+](C)C)CCC2 ZINC000360861690 393601321 /nfs/dbraw/zinc/60/13/21/393601321.db2.gz SXMJZAWJNYQTII-VXGBXAGGSA-N 2 1 281.469 3.013 20 0 CGADMP C[N@@H+](CCCc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000430607956 393580126 /nfs/dbraw/zinc/58/01/26/393580126.db2.gz BVOFWABBNHNDHO-UHFFFAOYSA-N 2 1 282.431 3.456 20 0 CGADMP c1ccc2c(c1)cccc2CCC[N@H+]1CCC[NH2+]CC1 ZINC000430623866 393582570 /nfs/dbraw/zinc/58/25/70/393582570.db2.gz NSHHLJNUDCYULJ-UHFFFAOYSA-N 2 1 268.404 3.068 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000490377278 393640777 /nfs/dbraw/zinc/64/07/77/393640777.db2.gz WRSGTWPRTXGCPT-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000490377278 393640782 /nfs/dbraw/zinc/64/07/82/393640782.db2.gz WRSGTWPRTXGCPT-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000490377278 393640787 /nfs/dbraw/zinc/64/07/87/393640787.db2.gz WRSGTWPRTXGCPT-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000490377278 393640791 /nfs/dbraw/zinc/64/07/91/393640791.db2.gz WRSGTWPRTXGCPT-INIZCTEOSA-N 2 1 290.426 3.298 20 0 CGADMP C[C@H]1CCC[C@H](C)C1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361173930 393692747 /nfs/dbraw/zinc/69/27/47/393692747.db2.gz OZARKUMVBZXWCG-HOTGVXAUSA-N 2 1 294.483 3.046 20 0 CGADMP CC[C@H](C)[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000361222519 393704788 /nfs/dbraw/zinc/70/47/88/393704788.db2.gz ZIMFPMXBAOSTLL-HOTGVXAUSA-N 2 1 296.499 3.434 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(F)(F)F)[C@@H](C)C1 ZINC000443573881 393765058 /nfs/dbraw/zinc/76/50/58/393765058.db2.gz AUMHSKSKEGMYQQ-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(F)(F)F)[C@@H](C)C1 ZINC000443573881 393765061 /nfs/dbraw/zinc/76/50/61/393765061.db2.gz AUMHSKSKEGMYQQ-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)[C@@H](C)C1 ZINC000443573881 393765064 /nfs/dbraw/zinc/76/50/64/393765064.db2.gz AUMHSKSKEGMYQQ-STQMWFEESA-N 2 1 280.378 3.381 20 0 CGADMP CCc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993991 542832356 /nfs/dbraw/zinc/83/23/56/542832356.db2.gz ZYKQMKMAVIXQNY-CQSZACIVSA-N 2 1 276.399 3.152 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCC[C@H]1C ZINC000449560711 393904098 /nfs/dbraw/zinc/90/40/98/393904098.db2.gz OSJGQHLZQNMQCZ-NQMMUZQISA-N 2 1 264.457 3.416 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497095 394006078 /nfs/dbraw/zinc/00/60/78/394006078.db2.gz CBRRCXODUBGSIM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497095 394006080 /nfs/dbraw/zinc/00/60/80/394006080.db2.gz CBRRCXODUBGSIM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497095 394006082 /nfs/dbraw/zinc/00/60/82/394006082.db2.gz CBRRCXODUBGSIM-DOTOQJQBSA-N 2 1 292.854 3.299 20 0 CGADMP CCn1ccnc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000453053292 394153671 /nfs/dbraw/zinc/15/36/71/394153671.db2.gz ABDFBGRURDBJSS-HOTGVXAUSA-N 2 1 292.471 3.208 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H](C1CC1)C1CCC1)C(C)C ZINC000453054565 394154701 /nfs/dbraw/zinc/15/47/01/394154701.db2.gz HPMBIYIPDLPYHP-INIZCTEOSA-N 2 1 252.446 3.274 20 0 CGADMP CCn1ccnc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000453067428 394159293 /nfs/dbraw/zinc/15/92/93/394159293.db2.gz XQNWLYPDPKRBMS-HOTGVXAUSA-N 2 1 292.471 3.066 20 0 CGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H](C2CC2)C2CCCC2)CCCO1 ZINC000453218044 394208708 /nfs/dbraw/zinc/20/87/08/394208708.db2.gz RWLBUMLFQCFOPW-QAPCUYQASA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](C2CC2)C2CCCC2)CCCO1 ZINC000453218044 394208711 /nfs/dbraw/zinc/20/87/11/394208711.db2.gz RWLBUMLFQCFOPW-QAPCUYQASA-N 2 1 294.483 3.046 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453232963 394213997 /nfs/dbraw/zinc/21/39/97/394213997.db2.gz XMGOTPKVHYWLFH-HZPDHXFCSA-N 2 1 277.456 3.113 20 0 CGADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453408873 394237496 /nfs/dbraw/zinc/23/74/96/394237496.db2.gz TZGUBGVKWWPRMV-HNNXBMFYSA-N 2 1 290.451 3.090 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)oc1C ZINC000453413887 394239042 /nfs/dbraw/zinc/23/90/42/394239042.db2.gz WQLKWZCVEXNHBB-ZDUSSCGKSA-N 2 1 264.413 3.421 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC[N@@H+]1C ZINC000453424072 394242887 /nfs/dbraw/zinc/24/28/87/394242887.db2.gz MXLWBWAXRHPVFE-LXTVHRRPSA-N 2 1 294.464 3.041 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC[N@H+]1C ZINC000453424072 394242889 /nfs/dbraw/zinc/24/28/89/394242889.db2.gz MXLWBWAXRHPVFE-LXTVHRRPSA-N 2 1 294.464 3.041 20 0 CGADMP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC(C)C ZINC000667513552 542882291 /nfs/dbraw/zinc/88/22/91/542882291.db2.gz DHYWWEFGTSXJTA-UHFFFAOYSA-N 2 1 272.396 3.135 20 0 CGADMP Cc1ncc(C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)n1C ZINC000667656764 542908149 /nfs/dbraw/zinc/90/81/49/542908149.db2.gz QRWYCWZVUWMTRX-CQSZACIVSA-N 2 1 271.408 3.100 20 0 CGADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667658283 542908703 /nfs/dbraw/zinc/90/87/03/542908703.db2.gz CEXPZMFLGQEBRW-UKRRQHHQSA-N 2 1 261.413 3.230 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccncc3s2)CC[N@@H+]1C ZINC000667667948 542912225 /nfs/dbraw/zinc/91/22/25/542912225.db2.gz ZKYUEASJVWCFEQ-OCCSQVGLSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccncc3s2)CC[N@H+]1C ZINC000667667948 542912226 /nfs/dbraw/zinc/91/22/26/542912226.db2.gz ZKYUEASJVWCFEQ-OCCSQVGLSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccncc3s2)CC[NH+]1C ZINC000667667948 542912228 /nfs/dbraw/zinc/91/22/28/542912228.db2.gz ZKYUEASJVWCFEQ-OCCSQVGLSA-N 2 1 289.448 3.211 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccncc3s2)CC[NH+]1C ZINC000667667948 542912230 /nfs/dbraw/zinc/91/22/30/542912230.db2.gz ZKYUEASJVWCFEQ-OCCSQVGLSA-N 2 1 289.448 3.211 20 0 CGADMP CC(C)(C)[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667972166 542951447 /nfs/dbraw/zinc/95/14/47/542951447.db2.gz HSGIHBGXFYTZFT-CQSZACIVSA-N 2 1 284.407 3.135 20 0 CGADMP CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667972166 542951449 /nfs/dbraw/zinc/95/14/49/542951449.db2.gz HSGIHBGXFYTZFT-CQSZACIVSA-N 2 1 284.407 3.135 20 0 CGADMP Cc1[nH+]cc(CN(C)Cc2ccc(F)c(Cl)c2)n1C ZINC000668064517 542964787 /nfs/dbraw/zinc/96/47/87/542964787.db2.gz OERPVHHBMURHFK-UHFFFAOYSA-N 2 1 281.762 3.153 20 0 CGADMP Cc1cccc2[nH]c(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc21 ZINC000668188800 542985031 /nfs/dbraw/zinc/98/50/31/542985031.db2.gz OVWULZGPQROIFQ-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc21 ZINC000668188800 542985035 /nfs/dbraw/zinc/98/50/35/542985035.db2.gz OVWULZGPQROIFQ-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc21 ZINC000668188800 542985038 /nfs/dbraw/zinc/98/50/38/542985038.db2.gz OVWULZGPQROIFQ-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc21 ZINC000668188800 542985043 /nfs/dbraw/zinc/98/50/43/542985043.db2.gz OVWULZGPQROIFQ-SFHVURJKSA-N 2 1 283.419 3.004 20 0 CGADMP CC(C)C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000671190528 543162535 /nfs/dbraw/zinc/16/25/35/543162535.db2.gz NPDNJLCJHYTYFF-KRWDZBQOSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916097 397609865 /nfs/dbraw/zinc/60/98/65/397609865.db2.gz QPIVKKDIZWUJEO-KMFMINBZSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916097 397609866 /nfs/dbraw/zinc/60/98/66/397609866.db2.gz QPIVKKDIZWUJEO-KMFMINBZSA-N 2 1 276.399 3.351 20 0 CGADMP Clc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916177 397609956 /nfs/dbraw/zinc/60/99/56/397609956.db2.gz PDGCQNAVCBGRLN-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916177 397609957 /nfs/dbraw/zinc/60/99/57/397609957.db2.gz PDGCQNAVCBGRLN-ZBFHGGJFSA-N 2 1 278.827 3.304 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062077900 397638057 /nfs/dbraw/zinc/63/80/57/397638057.db2.gz JLPZPZHVJOIILD-CVEARBPZSA-N 2 1 290.451 3.386 20 0 CGADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c1)CCC2 ZINC000650702890 397897581 /nfs/dbraw/zinc/89/75/81/397897581.db2.gz ZRWDVTPBUQGNDG-HKUYNNGSSA-N 2 1 284.447 3.139 20 0 CGADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711556 397899059 /nfs/dbraw/zinc/89/90/59/397899059.db2.gz WYRWOPZYOOPRPO-PQMVAPIISA-N 2 1 288.435 3.158 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)o1 ZINC000650752323 397908686 /nfs/dbraw/zinc/90/86/86/397908686.db2.gz ORTOXGMZRWQTAO-NSHDSACASA-N 2 1 262.328 3.037 20 0 CGADMP FC(F)(F)c1ccc(C2([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000650763720 397913126 /nfs/dbraw/zinc/91/31/26/397913126.db2.gz HWCHHSYRSUBDRE-UHFFFAOYSA-N 2 1 284.325 3.036 20 0 CGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000552062648 289157598 /nfs/dbraw/zinc/15/75/98/289157598.db2.gz BSIVTDUEMYRWLK-ARFHVFGLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)c2ccccc2)CC[N@H+]1C ZINC000675770717 543363704 /nfs/dbraw/zinc/36/37/04/543363704.db2.gz XYFMGTKPPQEEAH-DOTOQJQBSA-N 2 1 274.452 3.427 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000675795209 543365924 /nfs/dbraw/zinc/36/59/24/543365924.db2.gz ONTDMESOVRLDDZ-HZPDHXFCSA-N 2 1 263.429 3.386 20 0 CGADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000675732910 543358746 /nfs/dbraw/zinc/35/87/46/543358746.db2.gz NPNQNVCSXZCFNO-SJLPKXTDSA-N 2 1 274.452 3.308 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cscc1Cl ZINC000676416566 543396767 /nfs/dbraw/zinc/39/67/67/543396767.db2.gz OSEVTYHCYRENIM-JTQLQIEISA-N 2 1 283.828 3.332 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)C1 ZINC000676644686 543409294 /nfs/dbraw/zinc/40/92/94/543409294.db2.gz ZFGRGTGMYRUGKC-IDCNUPLLSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000677242034 543441402 /nfs/dbraw/zinc/44/14/02/543441402.db2.gz WKZHHZNAAVMXAS-SJORKVTESA-N 2 1 290.426 3.320 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677130718 543434912 /nfs/dbraw/zinc/43/49/12/543434912.db2.gz VWSNRFBNCDOZRQ-PBFPGSCMSA-N 2 1 292.373 3.169 20 0 CGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677130718 543434913 /nfs/dbraw/zinc/43/49/13/543434913.db2.gz VWSNRFBNCDOZRQ-PBFPGSCMSA-N 2 1 292.373 3.169 20 0 CGADMP C[N@H+](Cc1cscc1Cl)CC1CC[NH+](C)CC1 ZINC000678238690 543499534 /nfs/dbraw/zinc/49/95/34/543499534.db2.gz DIFCAFFIKAQGCP-UHFFFAOYSA-N 2 1 272.845 3.175 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)n1 ZINC000678411820 543521716 /nfs/dbraw/zinc/52/17/16/543521716.db2.gz PFJWESQYHSPPAZ-AWEZNQCLSA-N 2 1 263.429 3.079 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)n1 ZINC000678411820 543521718 /nfs/dbraw/zinc/52/17/18/543521718.db2.gz PFJWESQYHSPPAZ-AWEZNQCLSA-N 2 1 263.429 3.079 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C(C)C)[C@@H](C)C1 ZINC000484178161 286062740 /nfs/dbraw/zinc/06/27/40/286062740.db2.gz QHBPPKUOLQFZLO-IKGGRYGDSA-N 2 1 284.488 3.005 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678765845 543554134 /nfs/dbraw/zinc/55/41/34/543554134.db2.gz HEHKFFOFUZYPEE-DAYGRLMNSA-N 2 1 272.436 3.241 20 0 CGADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000678774683 543556655 /nfs/dbraw/zinc/55/66/55/543556655.db2.gz BXLOPERDOBPGOC-CMKODMSKSA-N 2 1 298.474 3.497 20 0 CGADMP CCO[C@@H](CC[NH2+][C@H](C)c1c[nH+]ccc1N)C1CCCC1 ZINC000422829820 286200454 /nfs/dbraw/zinc/20/04/54/286200454.db2.gz UYRYYCHVUPMIDD-DYVFJYSZSA-N 2 1 291.439 3.130 20 0 CGADMP COCC1CCC([NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000449095886 292266170 /nfs/dbraw/zinc/26/61/70/292266170.db2.gz CGYJMNSMOIXSJB-UZROPOIGSA-N 2 1 296.499 3.148 20 0 CGADMP COc1ccc([C@H]([NH2+]C2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422749101 286375558 /nfs/dbraw/zinc/37/55/58/286375558.db2.gz XNZMQQWLXLOBRK-ROUUACIJSA-N 2 1 288.435 3.411 20 0 CGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000511009667 289583318 /nfs/dbraw/zinc/58/33/18/289583318.db2.gz HXOALDFWMKHONM-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000077249053 287038441 /nfs/dbraw/zinc/03/84/41/287038441.db2.gz ACECDZDMVHFYSR-UHFFFAOYSA-N 2 1 298.377 3.204 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000077249053 287038445 /nfs/dbraw/zinc/03/84/45/287038445.db2.gz ACECDZDMVHFYSR-UHFFFAOYSA-N 2 1 298.377 3.204 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000423450447 287050932 /nfs/dbraw/zinc/05/09/32/287050932.db2.gz SYJLCIGFYSDFIJ-AXFHLTTASA-N 2 1 290.329 3.014 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469354 287056752 /nfs/dbraw/zinc/05/67/52/287056752.db2.gz RHFYDLGIUNCFNJ-JKSUJKDBSA-N 2 1 290.451 3.420 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469354 287056754 /nfs/dbraw/zinc/05/67/54/287056754.db2.gz RHFYDLGIUNCFNJ-JKSUJKDBSA-N 2 1 290.451 3.420 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CCCC1 ZINC000081639301 287075654 /nfs/dbraw/zinc/07/56/54/287075654.db2.gz WFAHUBCQXYPWBE-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CCCC1 ZINC000081639301 287075658 /nfs/dbraw/zinc/07/56/58/287075658.db2.gz WFAHUBCQXYPWBE-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585993 287102930 /nfs/dbraw/zinc/10/29/30/287102930.db2.gz LMAXYEKGPNCFIN-IRXDYDNUSA-N 2 1 284.488 3.149 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000090076654 165225882 /nfs/dbraw/zinc/22/58/82/165225882.db2.gz RBLCVDIAQPJGGF-KEYYUXOJSA-N 2 1 286.419 3.294 20 0 CGADMP C[N@@H+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253402 165286614 /nfs/dbraw/zinc/28/66/14/165286614.db2.gz CPZIXWOPAOYHKC-CYBMUJFWSA-N 2 1 290.382 3.346 20 0 CGADMP C[N@H+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253402 165286616 /nfs/dbraw/zinc/28/66/16/165286616.db2.gz CPZIXWOPAOYHKC-CYBMUJFWSA-N 2 1 290.382 3.346 20 0 CGADMP C[NH+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253402 165286618 /nfs/dbraw/zinc/28/66/18/165286618.db2.gz CPZIXWOPAOYHKC-CYBMUJFWSA-N 2 1 290.382 3.346 20 0 CGADMP C[NH+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253402 165286621 /nfs/dbraw/zinc/28/66/21/165286621.db2.gz CPZIXWOPAOYHKC-CYBMUJFWSA-N 2 1 290.382 3.346 20 0 CGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccnc1)C(C)C ZINC000092766119 165309680 /nfs/dbraw/zinc/30/96/80/165309680.db2.gz LTLFNBYSNGTSPP-HNNXBMFYSA-N 2 1 263.429 3.241 20 0 CGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093861256 165340880 /nfs/dbraw/zinc/34/08/80/165340880.db2.gz KSBXKBSRTNXGRK-AWEZNQCLSA-N 2 1 252.377 3.194 20 0 CGADMP C[N@H+](Cc1cccc(Cl)c1Cl)CC1CC[NH2+]CC1 ZINC000094010857 165343129 /nfs/dbraw/zinc/34/31/29/165343129.db2.gz WWKFJPOWYXORSG-UHFFFAOYSA-N 2 1 287.234 3.425 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C)[C@H](C)C1 ZINC000093639231 287117988 /nfs/dbraw/zinc/11/79/88/287117988.db2.gz MGJJMJBZMQNJTD-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)[C@H](C)C1 ZINC000093639231 287117990 /nfs/dbraw/zinc/11/79/90/287117990.db2.gz MGJJMJBZMQNJTD-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)[C@H](C)C1 ZINC000093639231 287117991 /nfs/dbraw/zinc/11/79/91/287117991.db2.gz MGJJMJBZMQNJTD-RHSMWYFYSA-N 2 1 278.415 3.296 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000093639668 287118272 /nfs/dbraw/zinc/11/82/72/287118272.db2.gz BRGVMNLWLDZNAD-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000093639668 287118273 /nfs/dbraw/zinc/11/82/73/287118273.db2.gz BRGVMNLWLDZNAD-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000093639668 287118276 /nfs/dbraw/zinc/11/82/76/287118276.db2.gz BRGVMNLWLDZNAD-PBHICJAKSA-N 2 1 278.415 3.296 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000093693222 287118909 /nfs/dbraw/zinc/11/89/09/287118909.db2.gz CELNOESHCAMHFQ-KRWDZBQOSA-N 2 1 274.452 3.467 20 0 CGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000125644567 287248214 /nfs/dbraw/zinc/24/82/14/287248214.db2.gz BDJFYISGASVHNJ-HOTGVXAUSA-N 2 1 292.471 3.237 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1OC(F)F ZINC000020129058 171016027 /nfs/dbraw/zinc/01/60/27/171016027.db2.gz IXBQETKNGDLLPB-ZDUSSCGKSA-N 2 1 298.377 3.425 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000020128840 171016032 /nfs/dbraw/zinc/01/60/32/171016032.db2.gz CAKWEDIOCHLGRA-CQSZACIVSA-N 2 1 264.388 3.352 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(O)c1 ZINC000020146308 171032683 /nfs/dbraw/zinc/03/26/83/171032683.db2.gz WKMCCJRPTICXKA-HNNXBMFYSA-N 2 1 276.424 3.165 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000126279584 287260878 /nfs/dbraw/zinc/26/08/78/287260878.db2.gz RHXYZVYJVCCUMF-UHFFFAOYSA-N 2 1 266.454 3.229 20 0 CGADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000126557306 287267866 /nfs/dbraw/zinc/26/78/66/287267866.db2.gz APIYYRQPOMSGKQ-BRWVUGGUSA-N 2 1 290.838 3.024 20 0 CGADMP Cc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285484345 196300557 /nfs/dbraw/zinc/30/05/57/196300557.db2.gz LOUKJXXFNQPDPS-SJPCQFCGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285484345 196300559 /nfs/dbraw/zinc/30/05/59/196300559.db2.gz LOUKJXXFNQPDPS-SJPCQFCGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285484345 196300561 /nfs/dbraw/zinc/30/05/61/196300561.db2.gz LOUKJXXFNQPDPS-SJPCQFCGSA-N 2 1 258.409 3.052 20 0 CGADMP Cc1cc(C)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285662997 196359019 /nfs/dbraw/zinc/35/90/19/196359019.db2.gz ZFFQNKKVQCFKRN-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285662997 196359021 /nfs/dbraw/zinc/35/90/21/196359021.db2.gz ZFFQNKKVQCFKRN-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1cc(C)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285662997 196359023 /nfs/dbraw/zinc/35/90/23/196359023.db2.gz ZFFQNKKVQCFKRN-JWTNVVGKSA-N 2 1 272.436 3.360 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2[nH]1 ZINC000285677705 196363130 /nfs/dbraw/zinc/36/31/30/196363130.db2.gz NKWJGXMOXQQRMR-DLBZAZTESA-N 2 1 283.419 3.193 20 0 CGADMP Cc1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2[nH]1 ZINC000285677719 196363826 /nfs/dbraw/zinc/36/38/26/196363826.db2.gz NKWJGXMOXQQRMR-IRXDYDNUSA-N 2 1 283.419 3.193 20 0 CGADMP C[C@H](C[NH2+][C@H](C)c1cccc(O)c1)C[NH+]1CCCCC1 ZINC000038041815 174043236 /nfs/dbraw/zinc/04/32/36/174043236.db2.gz WKJHOVZVNKWMEP-HUUCEWRRSA-N 2 1 276.424 3.165 20 0 CGADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000127411983 287287560 /nfs/dbraw/zinc/28/75/60/287287560.db2.gz KHHRELPYFWPABV-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CCC(C)C ZINC000127411983 287287561 /nfs/dbraw/zinc/28/75/61/287287561.db2.gz KHHRELPYFWPABV-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000127411983 287287562 /nfs/dbraw/zinc/28/75/62/287287562.db2.gz KHHRELPYFWPABV-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000128909375 287320476 /nfs/dbraw/zinc/32/04/76/287320476.db2.gz BVWAWPQINIMCJP-PMPSAXMXSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000049257383 416468590 /nfs/dbraw/zinc/46/85/90/416468590.db2.gz GEINXAMACOBKQG-WMZOPIPTSA-N 2 1 272.436 3.267 20 0 CGADMP Clc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435497 416521828 /nfs/dbraw/zinc/52/18/28/416521828.db2.gz OSWUZZINGXTVAX-CQSZACIVSA-N 2 1 278.827 3.304 20 0 CGADMP Fc1cncc([C@@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)c1 ZINC000342734940 416541374 /nfs/dbraw/zinc/54/13/74/416541374.db2.gz KQFRWNSDWAZOSA-KRWDZBQOSA-N 2 1 291.414 3.137 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)[C@@H]1CC[NH3+] ZINC000404297974 416551816 /nfs/dbraw/zinc/55/18/16/416551816.db2.gz YBKBYMUQMSSUFV-GXTWGEPZSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)[C@@H]1CC[NH3+] ZINC000404297974 416551820 /nfs/dbraw/zinc/55/18/20/416551820.db2.gz YBKBYMUQMSSUFV-GXTWGEPZSA-N 2 1 289.448 3.246 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000404341833 416551946 /nfs/dbraw/zinc/55/19/46/416551946.db2.gz FIVLCEXHXOTYOM-UXLLHSPISA-N 2 1 260.425 3.239 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2sccc2Cl)[C@@H]1CC[NH3+] ZINC000404306968 416553026 /nfs/dbraw/zinc/55/30/26/416553026.db2.gz SOJRCUXHVDYFBI-ZYHUDNBSSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2sccc2Cl)[C@@H]1CC[NH3+] ZINC000404306968 416553027 /nfs/dbraw/zinc/55/30/27/416553027.db2.gz SOJRCUXHVDYFBI-ZYHUDNBSSA-N 2 1 272.845 3.351 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)[C@@H]1CC[NH3+] ZINC000404283310 416553031 /nfs/dbraw/zinc/55/30/31/416553031.db2.gz QVBBOVJWWXKUNR-CZUORRHYSA-N 2 1 272.392 3.382 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)[C@@H]1CC[NH3+] ZINC000404360264 416553038 /nfs/dbraw/zinc/55/30/38/416553038.db2.gz DWTVWXCJMWCRKX-RHSMWYFYSA-N 2 1 283.419 3.184 20 0 CGADMP C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)[C@H]1CC[NH3+] ZINC000404395423 416554429 /nfs/dbraw/zinc/55/44/29/416554429.db2.gz OFFQBWJDFHFRPD-OEKIROHGSA-N 2 1 258.409 3.149 20 0 CGADMP CC[C@@H]1C[N@@H+](CC[C@@H](C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000122259901 416503382 /nfs/dbraw/zinc/50/33/82/416503382.db2.gz FTSIQFUDINWYRH-INMHGKMJSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)CC[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000680327242 543697665 /nfs/dbraw/zinc/69/76/65/543697665.db2.gz OWBKPDXORZVDJJ-UHFFFAOYSA-N 2 1 263.410 3.412 20 0 CGADMP CC[N@@H+](CCC1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000680649799 543722396 /nfs/dbraw/zinc/72/23/96/543722396.db2.gz GYFHWVVTYIFMIM-UHFFFAOYSA-N 2 1 260.425 3.370 20 0 CGADMP C[C@@H](Cc1ccccc1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680368903 543705138 /nfs/dbraw/zinc/70/51/38/543705138.db2.gz QWUBKVVFXUOPTH-HKUYNNGSSA-N 2 1 286.463 3.425 20 0 CGADMP COC1(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CCCCC1 ZINC000682995368 543885522 /nfs/dbraw/zinc/88/55/22/543885522.db2.gz KLFXKJCHECCQJG-UHFFFAOYSA-N 2 1 296.499 3.388 20 0 CGADMP Cc1ccnc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000683022712 543890743 /nfs/dbraw/zinc/89/07/43/543890743.db2.gz VZIBDCNQQHEQPQ-HZPDHXFCSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccnc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000683022712 543890745 /nfs/dbraw/zinc/89/07/45/543890745.db2.gz VZIBDCNQQHEQPQ-HZPDHXFCSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1ccnc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000683022712 543890746 /nfs/dbraw/zinc/89/07/46/543890746.db2.gz VZIBDCNQQHEQPQ-HZPDHXFCSA-N 2 1 287.451 3.133 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000684394108 543992604 /nfs/dbraw/zinc/99/26/04/543992604.db2.gz WYOZZFNEGOSUCF-XLMAVXFVSA-N 2 1 294.483 3.187 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@H+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685429097 544069006 /nfs/dbraw/zinc/06/90/06/544069006.db2.gz AFSMMXUDIOXVPH-QTLSWZBMSA-N 2 1 294.389 3.394 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685429097 544069008 /nfs/dbraw/zinc/06/90/08/544069008.db2.gz AFSMMXUDIOXVPH-QTLSWZBMSA-N 2 1 294.389 3.394 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000685470458 544077621 /nfs/dbraw/zinc/07/76/21/544077621.db2.gz QRFMDHLONFOTEG-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000685470458 544077624 /nfs/dbraw/zinc/07/76/24/544077624.db2.gz QRFMDHLONFOTEG-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000685470458 544077626 /nfs/dbraw/zinc/07/76/26/544077626.db2.gz QRFMDHLONFOTEG-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000685470458 544077628 /nfs/dbraw/zinc/07/76/28/544077628.db2.gz QRFMDHLONFOTEG-YJBOKZPZSA-N 2 1 274.452 3.411 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000685666065 544093864 /nfs/dbraw/zinc/09/38/64/544093864.db2.gz QVIASFADZJAORC-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000685666065 544093867 /nfs/dbraw/zinc/09/38/67/544093867.db2.gz QVIASFADZJAORC-KBMXLJTQSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1c(C)cccc1C ZINC000355035828 227333074 /nfs/dbraw/zinc/33/30/74/227333074.db2.gz IKFHRJDHNASGAF-CQSZACIVSA-N 2 1 257.381 3.159 20 0 CGADMP Cc1cc[nH+]c(NCC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000664282861 418934166 /nfs/dbraw/zinc/93/41/66/418934166.db2.gz JKGJIJHKSBTEEC-UHFFFAOYSA-N 2 1 296.418 3.109 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658337327 418941930 /nfs/dbraw/zinc/94/19/30/418941930.db2.gz GBTFQZAJKZQOCH-DAYGRLMNSA-N 2 1 272.436 3.445 20 0 CGADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658337327 418941932 /nfs/dbraw/zinc/94/19/32/418941932.db2.gz GBTFQZAJKZQOCH-DAYGRLMNSA-N 2 1 272.436 3.445 20 0 CGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC000652351557 418955513 /nfs/dbraw/zinc/95/55/13/418955513.db2.gz FORUZYZOEXKSBF-RDJZCZTQSA-N 2 1 292.854 3.333 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352176 418955668 /nfs/dbraw/zinc/95/56/68/418955668.db2.gz OQZASZFWTXQZRU-VUCTXSBTSA-N 2 1 294.389 3.477 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352176 418955669 /nfs/dbraw/zinc/95/56/69/418955669.db2.gz OQZASZFWTXQZRU-VUCTXSBTSA-N 2 1 294.389 3.477 20 0 CGADMP c1c2c(oc1-c1ccccc1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652353165 418957069 /nfs/dbraw/zinc/95/70/69/418957069.db2.gz KQBBEFSIQQXWPC-OAHLLOKOSA-N 2 1 296.414 3.304 20 0 CGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3CC=CC3)C2)CC1 ZINC000659868364 419022560 /nfs/dbraw/zinc/02/25/60/419022560.db2.gz ZWHHXARXZITQNY-GOSISDBHSA-N 2 1 276.468 3.397 20 0 CGADMP C([C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)[NH+]1CCCCC1 ZINC000659955856 419046370 /nfs/dbraw/zinc/04/63/70/419046370.db2.gz FBGSWWVTUJHLHT-XDNAFOTISA-N 2 1 276.468 3.230 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CCCC1 ZINC000665248075 419090592 /nfs/dbraw/zinc/09/05/92/419090592.db2.gz OHXOYPXASPPEEA-CQSZACIVSA-N 2 1 294.826 3.415 20 0 CGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(-c2ccccc2)nn1C ZINC000665246319 419090635 /nfs/dbraw/zinc/09/06/35/419090635.db2.gz BOQKVQNFJZMPQD-AWEZNQCLSA-N 2 1 298.434 3.009 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CCCC1 ZINC000665247946 419091039 /nfs/dbraw/zinc/09/10/39/419091039.db2.gz MDBASMIDVQKHNT-CQSZACIVSA-N 2 1 294.826 3.415 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CCCC1 ZINC000665247521 419091239 /nfs/dbraw/zinc/09/12/39/419091239.db2.gz DMPSWURXJWCRFQ-HNNXBMFYSA-N 2 1 262.372 3.064 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665248727 419091600 /nfs/dbraw/zinc/09/16/00/419091600.db2.gz BFAGIHACTUJFJT-CYBMUJFWSA-N 2 1 262.397 3.007 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665249089 419092884 /nfs/dbraw/zinc/09/28/84/419092884.db2.gz JNGNYGHKMLMBTP-AWEZNQCLSA-N 2 1 276.424 3.398 20 0 CGADMP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772103 419093350 /nfs/dbraw/zinc/09/33/50/419093350.db2.gz AQFNYMUNTVLKQS-JFIYKMOQSA-N 2 1 294.483 3.046 20 0 CGADMP CC(C)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253166 419094206 /nfs/dbraw/zinc/09/42/06/419094206.db2.gz IPWSDQHIHIGMJU-KBRIMQKVSA-N 2 1 278.415 3.295 20 0 CGADMP C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257491 419094841 /nfs/dbraw/zinc/09/48/41/419094841.db2.gz KZPJAKICHBPGDR-WBQNTZJQSA-N 2 1 276.399 3.049 20 0 CGADMP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655789946 419099309 /nfs/dbraw/zinc/09/93/09/419099309.db2.gz BVRLBVZRRLDYEI-BHYGNILZSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278667 419100871 /nfs/dbraw/zinc/10/08/71/419100871.db2.gz LOXOKMXKRVYUFU-ARWYELJZSA-N 2 1 290.476 3.145 20 0 CGADMP C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC2(CCCCC2)O1 ZINC000653908645 419110441 /nfs/dbraw/zinc/11/04/41/419110441.db2.gz RGBIELPDPBKYFG-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC2(CCCCC2)O1 ZINC000653908645 419110445 /nfs/dbraw/zinc/11/04/45/419110445.db2.gz RGBIELPDPBKYFG-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC2(CCCCC2)O1 ZINC000653908645 419110446 /nfs/dbraw/zinc/11/04/46/419110446.db2.gz RGBIELPDPBKYFG-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC2(CCCCC2)O1 ZINC000653908645 419110450 /nfs/dbraw/zinc/11/04/50/419110450.db2.gz RGBIELPDPBKYFG-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC2(CCCCC2)O1 ZINC000653908645 419110452 /nfs/dbraw/zinc/11/04/52/419110452.db2.gz RGBIELPDPBKYFG-SJORKVTESA-N 2 1 294.483 3.284 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982736 419053464 /nfs/dbraw/zinc/05/34/64/419053464.db2.gz VTNAIJYTTKYEKT-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982736 419053467 /nfs/dbraw/zinc/05/34/67/419053467.db2.gz VTNAIJYTTKYEKT-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982736 419053472 /nfs/dbraw/zinc/05/34/72/419053472.db2.gz VTNAIJYTTKYEKT-SJLPKXTDSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)(C)CCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655708128 419072624 /nfs/dbraw/zinc/07/26/24/419072624.db2.gz DVLAAUDMFXUUAW-QGZVFWFLSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](C)C[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655729776 419080469 /nfs/dbraw/zinc/08/04/69/419080469.db2.gz DPGPJUGRSUYYLI-YQQAZPJKSA-N 2 1 282.472 3.044 20 0 CGADMP Clc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000656478128 419176740 /nfs/dbraw/zinc/17/67/40/419176740.db2.gz FAQQHCKTCAOHFV-HOTGVXAUSA-N 2 1 278.827 3.099 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662393 419178771 /nfs/dbraw/zinc/17/87/71/419178771.db2.gz JOIKJZKLPAFZRK-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662393 419178774 /nfs/dbraw/zinc/17/87/74/419178774.db2.gz JOIKJZKLPAFZRK-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662393 419178776 /nfs/dbraw/zinc/17/87/76/419178776.db2.gz JOIKJZKLPAFZRK-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662393 419178779 /nfs/dbraw/zinc/17/87/79/419178779.db2.gz JOIKJZKLPAFZRK-QGZVFWFLSA-N 2 1 276.399 3.052 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCC(C)(C)C)C2 ZINC000660665744 419179095 /nfs/dbraw/zinc/17/90/95/419179095.db2.gz XPQPIFSAMUOFCX-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCC(C)(C)C)C2 ZINC000660665744 419179097 /nfs/dbraw/zinc/17/90/97/419179097.db2.gz XPQPIFSAMUOFCX-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCC(C)(C)C)C2 ZINC000660665744 419179099 /nfs/dbraw/zinc/17/90/99/419179099.db2.gz XPQPIFSAMUOFCX-INIZCTEOSA-N 2 1 252.446 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665896 419179479 /nfs/dbraw/zinc/17/94/79/419179479.db2.gz YXEGWIOLUJLMKQ-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665896 419179480 /nfs/dbraw/zinc/17/94/80/419179480.db2.gz YXEGWIOLUJLMKQ-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665896 419179484 /nfs/dbraw/zinc/17/94/84/419179484.db2.gz YXEGWIOLUJLMKQ-IKGGRYGDSA-N 2 1 264.457 3.230 20 0 CGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660663694 419179577 /nfs/dbraw/zinc/17/95/77/419179577.db2.gz PFMGYKRVQBOTHB-JKSUJKDBSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660663694 419179581 /nfs/dbraw/zinc/17/95/81/419179581.db2.gz PFMGYKRVQBOTHB-JKSUJKDBSA-N 2 1 252.446 3.086 20 0 CGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660663694 419179583 /nfs/dbraw/zinc/17/95/83/419179583.db2.gz PFMGYKRVQBOTHB-JKSUJKDBSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC1=CCCCC1)C2 ZINC000660665882 419179991 /nfs/dbraw/zinc/17/99/91/419179991.db2.gz YOZMBCBUZIMNAK-KRWDZBQOSA-N 2 1 262.441 3.295 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC1=CCCCC1)C2 ZINC000660665882 419179993 /nfs/dbraw/zinc/17/99/93/419179993.db2.gz YOZMBCBUZIMNAK-KRWDZBQOSA-N 2 1 262.441 3.295 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC1=CCCCC1)C2 ZINC000660665882 419179995 /nfs/dbraw/zinc/17/99/95/419179995.db2.gz YOZMBCBUZIMNAK-KRWDZBQOSA-N 2 1 262.441 3.295 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC)cc2C)C1 ZINC000657324898 419251301 /nfs/dbraw/zinc/25/13/01/419251301.db2.gz HCOKPHDWLNQDBM-MRXNPFEDSA-N 2 1 290.451 3.215 20 0 CGADMP CCC[N@H+](Cc1ccccc1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000656790850 419221049 /nfs/dbraw/zinc/22/10/49/419221049.db2.gz BPEKKDGHCWYQDN-GJZGRUSLSA-N 2 1 278.415 3.426 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661873264 419309388 /nfs/dbraw/zinc/30/93/88/419309388.db2.gz DTBWFSXBCYJIPO-QZTJIDSGSA-N 2 1 294.483 3.144 20 0 CGADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657716773 419332143 /nfs/dbraw/zinc/33/21/43/419332143.db2.gz STAJCDXOYOQIEU-BRSBDYLESA-N 2 1 270.420 3.149 20 0 CGADMP FC1(F)CC12CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000657716418 419332631 /nfs/dbraw/zinc/33/26/31/419332631.db2.gz IOUDKLPTCIMDNF-FUUBYGMNSA-N 2 1 284.394 3.171 20 0 CGADMP C(C[N@H+]1CC[C@H](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662306255 419387726 /nfs/dbraw/zinc/38/77/26/419387726.db2.gz PPZPJLKRRMTYFB-RDJZCZTQSA-N 2 1 264.457 3.278 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1CC1CCC1)[C@H]1CC[NH2+]C1 ZINC000662320629 419389215 /nfs/dbraw/zinc/38/92/15/419389215.db2.gz VQCVDKYBUBRXCT-CVEARBPZSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318634 419390065 /nfs/dbraw/zinc/39/00/65/419390065.db2.gz CWKKJNJMUPTNCZ-GFCCVEGCSA-N 2 1 288.357 3.307 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313047 419390721 /nfs/dbraw/zinc/39/07/21/419390721.db2.gz GFLWXBXVSFQVBL-NVXWUHKLSA-N 2 1 260.425 3.334 20 0 CGADMP CC1(C)CCCC[C@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000662234241 419367381 /nfs/dbraw/zinc/36/73/81/419367381.db2.gz KOEXSBLNTUPZCE-AWEZNQCLSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(F)F)nc1 ZINC000657823431 419372297 /nfs/dbraw/zinc/37/22/97/419372297.db2.gz FYFJPJMPTVREEU-LBPRGKRZSA-N 2 1 283.366 3.156 20 0 CGADMP C[N@@H+](CCCc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662250865 419373736 /nfs/dbraw/zinc/37/37/36/419373736.db2.gz QEOYWYGJBCWTTF-UHFFFAOYSA-N 2 1 294.442 3.397 20 0 CGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662264470 419376773 /nfs/dbraw/zinc/37/67/73/419376773.db2.gz DNBJFDMSEWJLMJ-UKRRQHHQSA-N 2 1 260.425 3.153 20 0 CGADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CC[C@@H]1[NH3+] ZINC000662271264 419378157 /nfs/dbraw/zinc/37/81/57/419378157.db2.gz UTHCSDDIPUXNNH-KFWWJZLASA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657833117 419379432 /nfs/dbraw/zinc/37/94/32/419379432.db2.gz DVQNXYAPTUBPGR-NEPJUHHUSA-N 2 1 295.377 3.154 20 0 CGADMP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662272641 419380528 /nfs/dbraw/zinc/38/05/28/419380528.db2.gz GNJXNPUAVZUGQB-OKZBNKHCSA-N 2 1 284.447 3.038 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)C2)cc1 ZINC000662276499 419381824 /nfs/dbraw/zinc/38/18/24/419381824.db2.gz NNJQNMLECLPVHF-LULLPPNCSA-N 2 1 284.447 3.254 20 0 CGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)C2)cc1 ZINC000662276499 419381828 /nfs/dbraw/zinc/38/18/28/419381828.db2.gz NNJQNMLECLPVHF-LULLPPNCSA-N 2 1 284.447 3.254 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274377 419383249 /nfs/dbraw/zinc/38/32/49/419383249.db2.gz SOTKRTFKPGOXDN-RDJZCZTQSA-N 2 1 272.436 3.168 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274377 419383254 /nfs/dbraw/zinc/38/32/54/419383254.db2.gz SOTKRTFKPGOXDN-RDJZCZTQSA-N 2 1 272.436 3.168 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657844862 419385194 /nfs/dbraw/zinc/38/51/94/419385194.db2.gz KOTNRELJIJFPJS-WCVJEAGWSA-N 2 1 264.457 3.133 20 0 CGADMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1Cl ZINC000662282334 419385534 /nfs/dbraw/zinc/38/55/34/419385534.db2.gz GIHVSIRQVHEFET-BZPMIXESSA-N 2 1 296.842 3.154 20 0 CGADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1Cl ZINC000662282334 419385539 /nfs/dbraw/zinc/38/55/39/419385539.db2.gz GIHVSIRQVHEFET-BZPMIXESSA-N 2 1 296.842 3.154 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000662285743 419386335 /nfs/dbraw/zinc/38/63/35/419386335.db2.gz MWZQMSHEYKOJHK-JHJVBQTASA-N 2 1 262.388 3.117 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658075924 419544950 /nfs/dbraw/zinc/54/49/50/419544950.db2.gz BWAVHQLZGPVYAR-XYPHTWIQSA-N 2 1 278.415 3.219 20 0 CGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658075924 419544956 /nfs/dbraw/zinc/54/49/56/419544956.db2.gz BWAVHQLZGPVYAR-XYPHTWIQSA-N 2 1 278.415 3.219 20 0 CGADMP CC(C)c1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000663320734 419554985 /nfs/dbraw/zinc/55/49/85/419554985.db2.gz MSRXFXJWBBYKCJ-UHFFFAOYSA-N 2 1 258.409 3.162 20 0 CGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663395179 419590558 /nfs/dbraw/zinc/59/05/58/419590558.db2.gz DHBUERXTMJJGHV-QLFBSQMISA-N 2 1 298.434 3.405 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)[C@@H]2CCC[C@@H]21 ZINC000658116241 419593050 /nfs/dbraw/zinc/59/30/50/419593050.db2.gz HVLITBWNXMLQNI-ULQDDVLXSA-N 2 1 284.403 3.395 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468524 419620858 /nfs/dbraw/zinc/62/08/58/419620858.db2.gz LRRQZJDNFNKOAK-PVAVHDDUSA-N 2 1 264.457 3.277 20 0 CGADMP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467579 419621675 /nfs/dbraw/zinc/62/16/75/419621675.db2.gz GURDRTIXGFJTOB-APWZRJJASA-N 2 1 284.447 3.386 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663468497 419623090 /nfs/dbraw/zinc/62/30/90/419623090.db2.gz LMHFVTFYVVRVGK-NVXWUHKLSA-N 2 1 264.457 3.133 20 0 CGADMP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227969 419685356 /nfs/dbraw/zinc/68/53/56/419685356.db2.gz FFVTYDSBLAFMLY-HOCLYGCPSA-N 2 1 262.441 3.316 20 0 CGADMP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227969 419685364 /nfs/dbraw/zinc/68/53/64/419685364.db2.gz FFVTYDSBLAFMLY-HOCLYGCPSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccoc1 ZINC000658201099 419655354 /nfs/dbraw/zinc/65/53/54/419655354.db2.gz QOGXKMWMVSYDKE-QFBILLFUSA-N 2 1 298.430 3.322 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180207214 260095517 /nfs/dbraw/zinc/09/55/17/260095517.db2.gz IHXHRUHGGTYSER-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000180207214 260095519 /nfs/dbraw/zinc/09/55/19/260095519.db2.gz IHXHRUHGGTYSER-HNNXBMFYSA-N 2 1 278.415 3.298 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223112817 260271130 /nfs/dbraw/zinc/27/11/30/260271130.db2.gz QYFBBOKDQUPUAO-FZKCQIBNSA-N 2 1 252.446 3.274 20 0 CGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223112817 260271132 /nfs/dbraw/zinc/27/11/32/260271132.db2.gz QYFBBOKDQUPUAO-FZKCQIBNSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000390670746 262238261 /nfs/dbraw/zinc/23/82/61/262238261.db2.gz RYYUNEIAGWBCGQ-AAVRWANBSA-N 2 1 274.399 3.130 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221928554 262328044 /nfs/dbraw/zinc/32/80/44/262328044.db2.gz XTCMPPAMGBQARI-SZMVWBNQSA-N 2 1 274.452 3.499 20 0 CGADMP Clc1c[nH+]ccc1NCCC[NH+]1CCCCC1 ZINC000301601943 263285589 /nfs/dbraw/zinc/28/55/89/263285589.db2.gz VUVFVYKZNTYFRM-UHFFFAOYSA-N 2 1 253.777 3.023 20 0 CGADMP CC(C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622895 270029813 /nfs/dbraw/zinc/02/98/13/270029813.db2.gz CKQJBXYTEJIOMM-QGZVFWFLSA-N 2 1 290.451 3.294 20 0 CGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534857 270035820 /nfs/dbraw/zinc/03/58/20/270035820.db2.gz UCLRVEMIQPUHJP-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534660 270036219 /nfs/dbraw/zinc/03/62/19/270036219.db2.gz VBKVLOJGHHGVIE-ZIAGYGMSSA-N 2 1 278.465 3.401 20 0 CGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044535711 270036461 /nfs/dbraw/zinc/03/64/61/270036461.db2.gz XWBSGYJGYCKGHY-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000044534588 270036894 /nfs/dbraw/zinc/03/68/94/270036894.db2.gz CWXJTLXAWJUXOI-CZUORRHYSA-N 2 1 264.388 3.208 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868576 270049310 /nfs/dbraw/zinc/04/93/10/270049310.db2.gz AODFIWJVPJLKNN-DLBZAZTESA-N 2 1 288.435 3.192 20 0 CGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000449401947 533686763 /nfs/dbraw/zinc/68/67/63/533686763.db2.gz JHLLKZPYYKKQAL-UHFFFAOYSA-N 2 1 287.451 3.277 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)C1 ZINC000250265626 270091334 /nfs/dbraw/zinc/09/13/34/270091334.db2.gz KKSIDTPCRZONFU-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250402890 270091431 /nfs/dbraw/zinc/09/14/31/270091431.db2.gz ZGZAPMHKCANJCD-HZPDHXFCSA-N 2 1 260.425 3.296 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000322480435 270093677 /nfs/dbraw/zinc/09/36/77/270093677.db2.gz SYAHMOONWMINSK-OAGGEKHMSA-N 2 1 250.430 3.172 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000521122639 270100515 /nfs/dbraw/zinc/10/05/15/270100515.db2.gz XUWIMWYHCDXGOZ-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000521122639 270100516 /nfs/dbraw/zinc/10/05/16/270100516.db2.gz XUWIMWYHCDXGOZ-OWCLPIDISA-N 2 1 282.472 3.044 20 0 CGADMP c1cc2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2[nH]1 ZINC000527701998 270132678 /nfs/dbraw/zinc/13/26/78/270132678.db2.gz QQUMEPDMTOAAKR-UHFFFAOYSA-N 2 1 283.419 3.274 20 0 CGADMP Clc1cccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810559 270137711 /nfs/dbraw/zinc/13/77/11/270137711.db2.gz RQBNEQBHKFVMRL-INIZCTEOSA-N 2 1 278.827 3.447 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527844392 270139281 /nfs/dbraw/zinc/13/92/81/270139281.db2.gz BMTDSQGOLJJOGM-QXSJWSMHSA-N 2 1 264.457 3.133 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC12CC2 ZINC000527848416 270139379 /nfs/dbraw/zinc/13/93/79/270139379.db2.gz OOJQJPVVLNDXHI-QAPCUYQASA-N 2 1 284.447 3.213 20 0 CGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC12CC2 ZINC000527848416 270139380 /nfs/dbraw/zinc/13/93/80/270139380.db2.gz OOJQJPVVLNDXHI-QAPCUYQASA-N 2 1 284.447 3.213 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527854220 270139995 /nfs/dbraw/zinc/13/99/95/270139995.db2.gz JEAAJKUPHSGZTM-MEBBXXQBSA-N 2 1 284.806 3.396 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCCC1(C)C ZINC000527919351 270144063 /nfs/dbraw/zinc/14/40/63/270144063.db2.gz HPSGZJYXJNHVNG-RBSFLKMASA-N 2 1 252.446 3.133 20 0 CGADMP c1cc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2[nH]1 ZINC000529528960 270182473 /nfs/dbraw/zinc/18/24/73/270182473.db2.gz LLGALJWDPNWYPT-INIZCTEOSA-N 2 1 283.419 3.086 20 0 CGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CC(F)(F)C1 ZINC000529531930 270183001 /nfs/dbraw/zinc/18/30/01/270183001.db2.gz MSOMBTIIWLJCKC-LBPRGKRZSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CC(F)(F)C1 ZINC000529531930 270183002 /nfs/dbraw/zinc/18/30/02/270183002.db2.gz MSOMBTIIWLJCKC-LBPRGKRZSA-N 2 1 274.399 3.274 20 0 CGADMP C[C@H](C[N@@H+](C)C[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000530249276 270197452 /nfs/dbraw/zinc/19/74/52/270197452.db2.gz UOVSZMRYFASFNP-GDBMZVCRSA-N 2 1 252.446 3.134 20 0 CGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H](C)c1ccc(Cl)cc1 ZINC000530413168 270199568 /nfs/dbraw/zinc/19/95/68/270199568.db2.gz BLVCHWQJMKFNCQ-QWHCGFSZSA-N 2 1 291.826 3.398 20 0 CGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000531681389 270208606 /nfs/dbraw/zinc/20/86/06/270208606.db2.gz JSKGBKHJWOUEAE-FUHWJXTLSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000531957097 270211825 /nfs/dbraw/zinc/21/18/25/270211825.db2.gz GVWWLRJRJUGPKQ-WBVHZDCISA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000531957097 270211826 /nfs/dbraw/zinc/21/18/26/270211826.db2.gz GVWWLRJRJUGPKQ-WBVHZDCISA-N 2 1 296.499 3.292 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734653 270219227 /nfs/dbraw/zinc/21/92/27/270219227.db2.gz ZPHMQQICKJSSLW-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734653 270219228 /nfs/dbraw/zinc/21/92/28/270219228.db2.gz ZPHMQQICKJSSLW-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734653 270219229 /nfs/dbraw/zinc/21/92/29/270219229.db2.gz ZPHMQQICKJSSLW-AEFFLSMTSA-N 2 1 274.452 3.466 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734655 270219043 /nfs/dbraw/zinc/21/90/43/270219043.db2.gz ZPHMQQICKJSSLW-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734655 270219044 /nfs/dbraw/zinc/21/90/44/270219044.db2.gz ZPHMQQICKJSSLW-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734655 270219045 /nfs/dbraw/zinc/21/90/45/270219045.db2.gz ZPHMQQICKJSSLW-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532522960 270217007 /nfs/dbraw/zinc/21/70/07/270217007.db2.gz KQOVIXXNKHFHFO-IIAWOOMASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532522960 270217008 /nfs/dbraw/zinc/21/70/08/270217008.db2.gz KQOVIXXNKHFHFO-IIAWOOMASA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072642 270221430 /nfs/dbraw/zinc/22/14/30/270221430.db2.gz RVKUXSLLSBVMPS-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072642 270221431 /nfs/dbraw/zinc/22/14/31/270221431.db2.gz RVKUXSLLSBVMPS-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072642 270221432 /nfs/dbraw/zinc/22/14/32/270221432.db2.gz RVKUXSLLSBVMPS-SJLPKXTDSA-N 2 1 274.452 3.466 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423285601 273555211 /nfs/dbraw/zinc/55/52/11/273555211.db2.gz ZKAOLEPOHWJDKZ-OLZOCXBDSA-N 2 1 284.856 3.450 20 0 CGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1C)CCC2 ZINC000268857013 274135835 /nfs/dbraw/zinc/13/58/35/274135835.db2.gz LSFXJZRUTQISTI-GOSISDBHSA-N 2 1 299.418 3.257 20 0 CGADMP CSCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000285569643 274179261 /nfs/dbraw/zinc/17/92/61/274179261.db2.gz GMMZDDRXIFCKSP-JKIFEVAISA-N 2 1 292.492 3.368 20 0 CGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000049551730 274208635 /nfs/dbraw/zinc/20/86/35/274208635.db2.gz HJKIQOFGXZHOOI-NSHDSACASA-N 2 1 274.330 3.135 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000424317005 274355120 /nfs/dbraw/zinc/35/51/20/274355120.db2.gz GJKAZDRKDFZOGR-PVAVHDDUSA-N 2 1 270.420 3.039 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000424317005 274355121 /nfs/dbraw/zinc/35/51/21/274355121.db2.gz GJKAZDRKDFZOGR-PVAVHDDUSA-N 2 1 270.420 3.039 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[N@@H+]1C ZINC000297195831 274393930 /nfs/dbraw/zinc/39/39/30/274393930.db2.gz FRZMEGDAQSANGC-ZUCKAHLUSA-N 2 1 294.389 3.415 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[N@H+]1C ZINC000297195831 274393931 /nfs/dbraw/zinc/39/39/31/274393931.db2.gz FRZMEGDAQSANGC-ZUCKAHLUSA-N 2 1 294.389 3.415 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CCC1 ZINC000423341978 274942725 /nfs/dbraw/zinc/94/27/25/274942725.db2.gz YQQSKIICFAHPDZ-CYBMUJFWSA-N 2 1 285.218 3.452 20 0 CGADMP C(C1CCCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246786017 275389886 /nfs/dbraw/zinc/38/98/86/275389886.db2.gz MBCSZWDJRCJPEM-RDJZCZTQSA-N 2 1 262.441 3.125 20 0 CGADMP C(C1CCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246786017 275389887 /nfs/dbraw/zinc/38/98/87/275389887.db2.gz MBCSZWDJRCJPEM-RDJZCZTQSA-N 2 1 262.441 3.125 20 0 CGADMP C(C1CCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246786017 275389888 /nfs/dbraw/zinc/38/98/88/275389888.db2.gz MBCSZWDJRCJPEM-RDJZCZTQSA-N 2 1 262.441 3.125 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000475348634 276118333 /nfs/dbraw/zinc/11/83/33/276118333.db2.gz FKANFEHATCIWCT-XYVMCAHJSA-N 2 1 274.452 3.499 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459775550 276152226 /nfs/dbraw/zinc/15/22/26/276152226.db2.gz WQROSMZBJRBCFJ-LSDHHAIUSA-N 2 1 282.472 3.043 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432799786 276179503 /nfs/dbraw/zinc/17/95/03/276179503.db2.gz ZOFNZRBDFFJXPY-YESZJQIVSA-N 2 1 264.457 3.395 20 0 CGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)CC1 ZINC000365868568 276198500 /nfs/dbraw/zinc/19/85/00/276198500.db2.gz BPZWOGUZFJYTLL-DLBZAZTESA-N 2 1 296.524 3.183 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129318704 276212222 /nfs/dbraw/zinc/21/22/22/276212222.db2.gz WIPWVADKIYOPGK-HNNXBMFYSA-N 2 1 264.457 3.421 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178185750 276212382 /nfs/dbraw/zinc/21/23/82/276212382.db2.gz PNXOYXHSHLNBLV-WMLDXEAASA-N 2 1 272.436 3.340 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)[C@H](C)C1 ZINC000414343808 276217444 /nfs/dbraw/zinc/21/74/44/276217444.db2.gz YTTBPBPRWGEETH-FPCVCCKLSA-N 2 1 296.499 3.289 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)C1 ZINC000449089922 276221694 /nfs/dbraw/zinc/22/16/94/276221694.db2.gz LWWYGQDBVYBPBV-FPCVCCKLSA-N 2 1 252.446 3.133 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163732853 276270479 /nfs/dbraw/zinc/27/04/79/276270479.db2.gz RVZPGELRJNCWOZ-NJAFHUGGSA-N 2 1 274.452 3.470 20 0 CGADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163732853 276270480 /nfs/dbraw/zinc/27/04/80/276270480.db2.gz RVZPGELRJNCWOZ-NJAFHUGGSA-N 2 1 274.452 3.470 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178185733 276397860 /nfs/dbraw/zinc/39/78/60/276397860.db2.gz PNXOYXHSHLNBLV-RHSMWYFYSA-N 2 1 272.436 3.340 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000450562081 276399136 /nfs/dbraw/zinc/39/91/36/276399136.db2.gz HKVPDNRMKICPOM-RDBSUJKOSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000450562081 276399138 /nfs/dbraw/zinc/39/91/38/276399138.db2.gz HKVPDNRMKICPOM-RDBSUJKOSA-N 2 1 274.399 3.084 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000450562081 276399141 /nfs/dbraw/zinc/39/91/41/276399141.db2.gz HKVPDNRMKICPOM-RDBSUJKOSA-N 2 1 274.399 3.084 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000295197784 276892190 /nfs/dbraw/zinc/89/21/90/276892190.db2.gz YFUBPPANEMVVCD-CYBMUJFWSA-N 2 1 283.366 3.063 20 0 CGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(F)(F)F)C1 ZINC000355896757 277044153 /nfs/dbraw/zinc/04/41/53/277044153.db2.gz QCXJNJRJFRITPY-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(F)(F)F)C1 ZINC000355896757 277044154 /nfs/dbraw/zinc/04/41/54/277044154.db2.gz QCXJNJRJFRITPY-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000355896757 277044156 /nfs/dbraw/zinc/04/41/56/277044156.db2.gz QCXJNJRJFRITPY-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000355896757 277044157 /nfs/dbraw/zinc/04/41/57/277044157.db2.gz QCXJNJRJFRITPY-QWHCGFSZSA-N 2 1 278.362 3.135 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCCC3(F)F)CC[C@H]21 ZINC000450501722 277068806 /nfs/dbraw/zinc/06/88/06/277068806.db2.gz OIDJMQINLWBBBN-RBSFLKMASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCC3(F)F)CC[C@H]21 ZINC000450501722 277068807 /nfs/dbraw/zinc/06/88/07/277068807.db2.gz OIDJMQINLWBBBN-RBSFLKMASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCC3(F)F)CC[C@H]21 ZINC000450501722 277068808 /nfs/dbraw/zinc/06/88/08/277068808.db2.gz OIDJMQINLWBBBN-RBSFLKMASA-N 2 1 286.410 3.228 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000178628834 277069561 /nfs/dbraw/zinc/06/95/61/277069561.db2.gz VLLAHMGASOPADK-FHLIZLRMSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000178628834 277069562 /nfs/dbraw/zinc/06/95/62/277069562.db2.gz VLLAHMGASOPADK-FHLIZLRMSA-N 2 1 288.410 3.229 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000178628834 277069565 /nfs/dbraw/zinc/06/95/65/277069565.db2.gz VLLAHMGASOPADK-FHLIZLRMSA-N 2 1 288.410 3.229 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC000414177502 277073341 /nfs/dbraw/zinc/07/33/41/277073341.db2.gz JEBSZIYRLREVQR-MRXNPFEDSA-N 2 1 286.463 3.256 20 0 CGADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCCC1 ZINC000421820197 277190628 /nfs/dbraw/zinc/19/06/28/277190628.db2.gz LFLUGRNIPYMNIL-IRXDYDNUSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000414329131 277218557 /nfs/dbraw/zinc/21/85/57/277218557.db2.gz IBIANBUDUSQERA-YHUYYLMFSA-N 2 1 294.483 3.185 20 0 CGADMP C[NH2+]CC[NH2+][C@@H](CCc1ccc(Cl)cc1)C(C)C ZINC000423227079 277272642 /nfs/dbraw/zinc/27/26/42/277272642.db2.gz UKUAFYBYFAJJAN-HNNXBMFYSA-N 2 1 268.832 3.106 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000218064207 277275590 /nfs/dbraw/zinc/27/55/90/277275590.db2.gz GCZMPMUOJQLIAY-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000218064207 277275591 /nfs/dbraw/zinc/27/55/91/277275591.db2.gz GCZMPMUOJQLIAY-STQMWFEESA-N 2 1 266.816 3.332 20 0 CGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414169854 277334137 /nfs/dbraw/zinc/33/41/37/277334137.db2.gz BPHVCNIMAAKGCG-RYRKJORJSA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337395246 277388875 /nfs/dbraw/zinc/38/88/75/277388875.db2.gz BOYZHBIIALAUCK-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337395246 277388877 /nfs/dbraw/zinc/38/88/77/277388877.db2.gz BOYZHBIIALAUCK-HOTGVXAUSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000395179448 288006683 /nfs/dbraw/zinc/00/66/83/288006683.db2.gz DGBAAFOAUPNXCV-ZDUSSCGKSA-N 2 1 266.816 3.080 20 0 CGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414930223 278223667 /nfs/dbraw/zinc/22/36/67/278223667.db2.gz PPMWBIXDINYEFE-BPCQOVAHSA-N 2 1 292.389 3.475 20 0 CGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000397409180 288023475 /nfs/dbraw/zinc/02/34/75/288023475.db2.gz VDQOWMPOPVICLN-IPYPFGDCSA-N 2 1 272.392 3.238 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397776978 288030125 /nfs/dbraw/zinc/03/01/25/288030125.db2.gz NZJFMJCTKQOGNT-KBMXLJTQSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000132305276 278297821 /nfs/dbraw/zinc/29/78/21/278297821.db2.gz OQROWFPRNUOJNQ-INIZCTEOSA-N 2 1 274.452 3.139 20 0 CGADMP CC(C)(C)C1CCC(C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000135294595 278300638 /nfs/dbraw/zinc/30/06/38/278300638.db2.gz KFLGYLWLMXFXPX-SLTAFYQDSA-N 2 1 252.446 3.120 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473861 278305412 /nfs/dbraw/zinc/30/54/12/278305412.db2.gz JBKLZUCWTCNUHL-NWJSVONSSA-N 2 1 280.362 3.085 20 0 CGADMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473861 278305414 /nfs/dbraw/zinc/30/54/14/278305414.db2.gz JBKLZUCWTCNUHL-NWJSVONSSA-N 2 1 280.362 3.085 20 0 CGADMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC1(C)C ZINC000397836775 288032085 /nfs/dbraw/zinc/03/20/85/288032085.db2.gz SRTLVSJPOPCJAX-CABCVRRESA-N 2 1 250.430 3.053 20 0 CGADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355728 288061959 /nfs/dbraw/zinc/06/19/59/288061959.db2.gz JNYFPNYLIKKACJ-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C2CC2)c1 ZINC000421355728 288061961 /nfs/dbraw/zinc/06/19/61/288061961.db2.gz JNYFPNYLIKKACJ-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C2CC2)c1 ZINC000421355728 288061964 /nfs/dbraw/zinc/06/19/64/288061964.db2.gz JNYFPNYLIKKACJ-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355728 288061966 /nfs/dbraw/zinc/06/19/66/288061966.db2.gz JNYFPNYLIKKACJ-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421355728 288061968 /nfs/dbraw/zinc/06/19/68/288061968.db2.gz JNYFPNYLIKKACJ-KSSFIOAISA-N 2 1 272.436 3.336 20 0 CGADMP CCOCCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000459436792 288092498 /nfs/dbraw/zinc/09/24/98/288092498.db2.gz KIHFGMUJUFFVAI-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000348249334 279077761 /nfs/dbraw/zinc/07/77/61/279077761.db2.gz WPPKFIHLIQUWHF-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000348249334 279077764 /nfs/dbraw/zinc/07/77/64/279077764.db2.gz WPPKFIHLIQUWHF-OLZOCXBDSA-N 2 1 278.362 3.135 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791424 279176547 /nfs/dbraw/zinc/17/65/47/279176547.db2.gz QWIOJNCBCYLEQV-JCHJZTRSSA-N 2 1 284.447 3.181 20 0 CGADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000414791424 279176549 /nfs/dbraw/zinc/17/65/49/279176549.db2.gz QWIOJNCBCYLEQV-JCHJZTRSSA-N 2 1 284.447 3.181 20 0 CGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345185616 279233857 /nfs/dbraw/zinc/23/38/57/279233857.db2.gz DBXJDQLLTVOEKC-QGZVFWFLSA-N 2 1 260.425 3.267 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1c[nH+]ccc1N ZINC000335037259 279510615 /nfs/dbraw/zinc/51/06/15/279510615.db2.gz BUOOOCPDOCLNGN-YVEFUNNKSA-N 2 1 267.376 3.222 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430653267 288153925 /nfs/dbraw/zinc/15/39/25/288153925.db2.gz OPYQBFVJWIGRJP-IAQYHMDHSA-N 2 1 268.351 3.087 20 0 CGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430653267 288153927 /nfs/dbraw/zinc/15/39/27/288153927.db2.gz OPYQBFVJWIGRJP-IAQYHMDHSA-N 2 1 268.351 3.087 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516291260 288160097 /nfs/dbraw/zinc/16/00/97/288160097.db2.gz NUBZUQPQDWNBHW-SJORKVTESA-N 2 1 258.409 3.213 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(F)(F)CC)[C@@H](C)C1 ZINC000527665004 288185648 /nfs/dbraw/zinc/18/56/48/288185648.db2.gz FCEKWUACJNIMTA-STQMWFEESA-N 2 1 276.415 3.378 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1F ZINC000424379586 280194290 /nfs/dbraw/zinc/19/42/90/280194290.db2.gz VQWPAOXSRVEAEF-RBSFLKMASA-N 2 1 250.361 3.136 20 0 CGADMP CC(C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423374905 280223774 /nfs/dbraw/zinc/22/37/74/280223774.db2.gz UBOPLIFDIDHVEH-RBOXIYTFSA-N 2 1 282.378 3.044 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1C(C)C ZINC000364958445 280255507 /nfs/dbraw/zinc/25/55/07/280255507.db2.gz XNMANSFSEGBZFW-NUEKZKHPSA-N 2 1 290.455 3.050 20 0 CGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1C(C)C ZINC000364958445 280255512 /nfs/dbraw/zinc/25/55/12/280255512.db2.gz XNMANSFSEGBZFW-NUEKZKHPSA-N 2 1 290.455 3.050 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000401585430 280261535 /nfs/dbraw/zinc/26/15/35/280261535.db2.gz MQONKJZPRVGMET-QBPKDAKJSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430705388 280329756 /nfs/dbraw/zinc/32/97/56/280329756.db2.gz LFMJUMHOVNTTPQ-LJIGWXMPSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423318328 280639114 /nfs/dbraw/zinc/63/91/14/280639114.db2.gz KVRZWMBZIVWVSU-DLBZAZTESA-N 2 1 288.435 3.351 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529537269 288259665 /nfs/dbraw/zinc/25/96/65/288259665.db2.gz UWAAXPIQKHCEDJ-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000302225525 281170219 /nfs/dbraw/zinc/17/02/19/281170219.db2.gz OUFMOEMHHFWJRL-YJBOKZPZSA-N 2 1 295.430 3.464 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000530407501 288305586 /nfs/dbraw/zinc/30/55/86/288305586.db2.gz QPDXHGGWHKELHX-UHFFFAOYSA-N 2 1 275.440 3.445 20 0 CGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152387597 281273014 /nfs/dbraw/zinc/27/30/14/281273014.db2.gz ZCGSSSKDVZQKAC-RDTXWAMCSA-N 2 1 270.420 3.056 20 0 CGADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000531700858 288340798 /nfs/dbraw/zinc/34/07/98/288340798.db2.gz HNTYBJXFFPFIBB-AWEZNQCLSA-N 2 1 287.407 3.249 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459615 288362388 /nfs/dbraw/zinc/36/23/88/288362388.db2.gz PXIXUGFKIPGRJF-OWCLPIDISA-N 2 1 296.499 3.290 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2C)[C@@H](C)C1 ZINC000532471372 288363133 /nfs/dbraw/zinc/36/31/33/288363133.db2.gz XNQFKYRYUBQHST-DLBZAZTESA-N 2 1 290.451 3.002 20 0 CGADMP COc1cc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccn1 ZINC000551315212 289111391 /nfs/dbraw/zinc/11/13/91/289111391.db2.gz OSMSVJXXTHFKOD-HUUCEWRRSA-N 2 1 291.439 3.005 20 0 CGADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000552881087 289201368 /nfs/dbraw/zinc/20/13/68/289201368.db2.gz IAINJVOBXSBRSZ-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000552881087 289201369 /nfs/dbraw/zinc/20/13/69/289201369.db2.gz IAINJVOBXSBRSZ-ZBFHGGJFSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376196 289278735 /nfs/dbraw/zinc/27/87/35/289278735.db2.gz IVGCDTFPXBVXHM-TUUVXOQKSA-N 2 1 294.389 3.140 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555228373 289334481 /nfs/dbraw/zinc/33/44/81/289334481.db2.gz ZCJKZKLNWHXJLH-IAVJCBSLSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555228373 289334485 /nfs/dbraw/zinc/33/44/85/289334485.db2.gz ZCJKZKLNWHXJLH-IAVJCBSLSA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000353254649 290015765 /nfs/dbraw/zinc/01/57/65/290015765.db2.gz WUWXFXDLPMAQFR-SGMGOOAPSA-N 2 1 274.399 3.273 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000353254649 290015769 /nfs/dbraw/zinc/01/57/69/290015769.db2.gz WUWXFXDLPMAQFR-SGMGOOAPSA-N 2 1 274.399 3.273 20 0 CGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423385086 297107805 /nfs/dbraw/zinc/10/78/05/297107805.db2.gz GHCSDMVGXNCVNV-BYCMXARLSA-N 2 1 294.826 3.141 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](CC2CC2)C2CCCCC2)CC[NH2+]1 ZINC000414695032 297395605 /nfs/dbraw/zinc/39/56/05/297395605.db2.gz OPOWSFHDZKCEEK-GDBMZVCRSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414868888 298327710 /nfs/dbraw/zinc/32/77/10/298327710.db2.gz QDOZLNRSTYWGMP-GDBMZVCRSA-N 2 1 260.425 3.084 20 0 CGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)C1CCCC1 ZINC000423534974 303393925 /nfs/dbraw/zinc/39/39/25/303393925.db2.gz WWJJLCKKKSISKZ-LSDHHAIUSA-N 2 1 294.439 3.470 20 0 CGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000582070321 327830636 /nfs/dbraw/zinc/83/06/36/327830636.db2.gz GMWCEQMQBIZRIP-UHFFFAOYSA-N 2 1 263.429 3.111 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000401763325 321969438 /nfs/dbraw/zinc/96/94/38/321969438.db2.gz WTLKTDDSZVGCDS-UHFFFAOYSA-N 2 1 263.429 3.157 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000563654060 322005769 /nfs/dbraw/zinc/00/57/69/322005769.db2.gz BDULEEITWMNHHU-LZLYRXPVSA-N 2 1 289.467 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000563654060 322005771 /nfs/dbraw/zinc/00/57/71/322005771.db2.gz BDULEEITWMNHHU-LZLYRXPVSA-N 2 1 289.467 3.426 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000564844138 322045896 /nfs/dbraw/zinc/04/58/96/322045896.db2.gz IVWUOWACWNJDDZ-WMZOPIPTSA-N 2 1 296.499 3.172 20 0 CGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000564973559 322052154 /nfs/dbraw/zinc/05/21/54/322052154.db2.gz LSDAUTQGUVAPMG-MSOLQXFVSA-N 2 1 292.442 3.324 20 0 CGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000565768864 322090163 /nfs/dbraw/zinc/09/01/63/322090163.db2.gz LKEPJATXEOWOFU-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000565768864 322090166 /nfs/dbraw/zinc/09/01/66/322090166.db2.gz LKEPJATXEOWOFU-QWHCGFSZSA-N 2 1 296.842 3.341 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000565871013 322095093 /nfs/dbraw/zinc/09/50/93/322095093.db2.gz XLEBSRFPTHDQAP-ZLPCBKJTSA-N 2 1 272.436 3.038 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000566088275 322103689 /nfs/dbraw/zinc/10/36/89/322103689.db2.gz GAIWAQNPOIRDEM-OAHLLOKOSA-N 2 1 296.842 3.451 20 0 CGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000567638960 322171906 /nfs/dbraw/zinc/17/19/06/322171906.db2.gz ALPKVGJLHHYQRC-GFCCVEGCSA-N 2 1 284.831 3.387 20 0 CGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H](C)c1ccccc1 ZINC000568407739 322208169 /nfs/dbraw/zinc/20/81/69/322208169.db2.gz PGRAYTIIUSOZEP-LSDHHAIUSA-N 2 1 271.408 3.135 20 0 CGADMP COc1ccc([C@@H]([NH2+]CCCc2c[nH+]cn2C)C2CC2)cc1 ZINC000569234709 322240365 /nfs/dbraw/zinc/24/03/65/322240365.db2.gz IAYDTXHJUQGGKD-SFHVURJKSA-N 2 1 299.418 3.102 20 0 CGADMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000569265135 322241637 /nfs/dbraw/zinc/24/16/37/322241637.db2.gz QUEQQSRHVDONFU-HZPDHXFCSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCC2Cc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000569442937 322247235 /nfs/dbraw/zinc/24/72/35/322247235.db2.gz CHGDIUGOGHQMNR-SLFFLAALSA-N 2 1 298.474 3.254 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C[C@H]1n1ccnc1 ZINC000569634701 322252602 /nfs/dbraw/zinc/25/26/02/322252602.db2.gz YYXOWRXGIVFVQL-DNVCBOLYSA-N 2 1 295.430 3.181 20 0 CGADMP CCc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000569765974 322256521 /nfs/dbraw/zinc/25/65/21/322256521.db2.gz BIVKOZSZUCUHOX-UHFFFAOYSA-N 2 1 289.467 3.196 20 0 CGADMP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569927779 322260733 /nfs/dbraw/zinc/26/07/33/322260733.db2.gz LBWOWJWCDUXKKE-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569927779 322260734 /nfs/dbraw/zinc/26/07/34/322260734.db2.gz LBWOWJWCDUXKKE-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000570151374 322266301 /nfs/dbraw/zinc/26/63/01/322266301.db2.gz FEBKLVKUHHTISF-HZPDHXFCSA-N 2 1 292.467 3.423 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000570151374 322266302 /nfs/dbraw/zinc/26/63/02/322266302.db2.gz FEBKLVKUHHTISF-HZPDHXFCSA-N 2 1 292.467 3.423 20 0 CGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)o1 ZINC000570199963 322267557 /nfs/dbraw/zinc/26/75/57/322267557.db2.gz KPGBPDDQVVLMJK-UVLCOCDESA-N 2 1 288.435 3.413 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000570623702 322278220 /nfs/dbraw/zinc/27/82/20/322278220.db2.gz DKFBWVRLXMTHAI-OAHLLOKOSA-N 2 1 264.457 3.419 20 0 CGADMP Cc1ccc(F)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000571246407 322293843 /nfs/dbraw/zinc/29/38/43/322293843.db2.gz IKEMMBHMHOPEPR-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000571246407 322293844 /nfs/dbraw/zinc/29/38/44/322293844.db2.gz IKEMMBHMHOPEPR-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000571246407 322293845 /nfs/dbraw/zinc/29/38/45/322293845.db2.gz IKEMMBHMHOPEPR-RHSMWYFYSA-N 2 1 276.399 3.050 20 0 CGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC000572796056 322355448 /nfs/dbraw/zinc/35/54/48/322355448.db2.gz YHHQUTHRHYKHSL-DLBZAZTESA-N 2 1 289.467 3.380 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1cccc2ccccc21 ZINC000573621577 322397606 /nfs/dbraw/zinc/39/76/06/322397606.db2.gz DXFBZQTYADEKRA-WBVHZDCISA-N 2 1 298.430 3.420 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCc2ccncc2C)s1 ZINC000583141694 329321028 /nfs/dbraw/zinc/32/10/28/329321028.db2.gz VLYZVPXGRPQFHY-UHFFFAOYSA-N 2 1 260.406 3.434 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577280641 327253491 /nfs/dbraw/zinc/25/34/91/327253491.db2.gz BSZYAQKLGDDEME-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577280641 327253493 /nfs/dbraw/zinc/25/34/93/327253493.db2.gz BSZYAQKLGDDEME-CZUORRHYSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577280642 327253519 /nfs/dbraw/zinc/25/35/19/327253519.db2.gz BSZYAQKLGDDEME-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577280642 327253520 /nfs/dbraw/zinc/25/35/20/327253520.db2.gz BSZYAQKLGDDEME-XJKSGUPXSA-N 2 1 278.827 3.477 20 0 CGADMP CC(C)(C[NH2+]CC1Cc2ccccc2C1)[NH+]1CCCCC1 ZINC000583136511 329319362 /nfs/dbraw/zinc/31/93/62/329319362.db2.gz APFQSFWBDULXES-UHFFFAOYSA-N 2 1 286.463 3.256 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H](C)CCc1ccco1)[NH+]1CCCC1 ZINC000035451836 329496600 /nfs/dbraw/zinc/49/66/00/329496600.db2.gz ORUQVQFIEUXFQW-NVXWUHKLSA-N 2 1 278.440 3.311 20 0 CGADMP COC[C@H]([NH2+]CCC[NH2+]C(C)C)c1cccc(Cl)c1 ZINC000580421001 330128841 /nfs/dbraw/zinc/12/88/41/330128841.db2.gz YJQRGQNQLUSYLU-HNNXBMFYSA-N 2 1 284.831 3.005 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)s1 ZINC000576129767 335158740 /nfs/dbraw/zinc/15/87/40/335158740.db2.gz MILZSZCDHMYUSA-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)s1 ZINC000576129767 335158741 /nfs/dbraw/zinc/15/87/41/335158741.db2.gz MILZSZCDHMYUSA-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000576129767 335158742 /nfs/dbraw/zinc/15/87/42/335158742.db2.gz MILZSZCDHMYUSA-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1C ZINC000576289137 335184220 /nfs/dbraw/zinc/18/42/20/335184220.db2.gz VDHQNCYSELALTE-CJNGLKHVSA-N 2 1 288.435 3.126 20 0 CGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1C ZINC000576289137 335184221 /nfs/dbraw/zinc/18/42/21/335184221.db2.gz VDHQNCYSELALTE-CJNGLKHVSA-N 2 1 288.435 3.126 20 0 CGADMP c1sc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1-c1ccccc1 ZINC000576755325 335243834 /nfs/dbraw/zinc/24/38/34/335243834.db2.gz IRIWZBXSLOBPJQ-DOTOQJQBSA-N 2 1 298.455 3.456 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)Cc1ccccc1 ZINC000577681911 335388393 /nfs/dbraw/zinc/38/83/93/335388393.db2.gz HJQJVEFPCZBKLN-INIZCTEOSA-N 2 1 262.441 3.139 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000183732220 335904256 /nfs/dbraw/zinc/90/42/56/335904256.db2.gz WYINQMNMSFEFDO-YCPHGPKFSA-N 2 1 263.429 3.244 20 0 CGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC1(C)C ZINC000581146778 336015758 /nfs/dbraw/zinc/01/57/58/336015758.db2.gz FPZADXVRSFGQGU-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC1(C)C ZINC000581146778 336015760 /nfs/dbraw/zinc/01/57/60/336015760.db2.gz FPZADXVRSFGQGU-BARDWOONSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3occc3c2)C1 ZINC000581516186 336092701 /nfs/dbraw/zinc/09/27/01/336092701.db2.gz ZYFDAUIMZWZZLY-IAGOWNOFSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3occc3c2)C1 ZINC000581516186 336092702 /nfs/dbraw/zinc/09/27/02/336092702.db2.gz ZYFDAUIMZWZZLY-IAGOWNOFSA-N 2 1 284.403 3.349 20 0 CGADMP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000382864562 336098154 /nfs/dbraw/zinc/09/81/54/336098154.db2.gz GFQRJJCYGQCFLN-CRAIPNDOSA-N 2 1 289.467 3.281 20 0 CGADMP C[N@H+](Cc1cccc2ccccc21)C1(C[NH3+])CCC1 ZINC000385466342 336147713 /nfs/dbraw/zinc/14/77/13/336147713.db2.gz LTAWTSYBRDJHRM-UHFFFAOYSA-N 2 1 254.377 3.153 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)C1(C[NH3+])CCC1 ZINC000385466342 336147714 /nfs/dbraw/zinc/14/77/14/336147714.db2.gz LTAWTSYBRDJHRM-UHFFFAOYSA-N 2 1 254.377 3.153 20 0 CGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000582011036 336191412 /nfs/dbraw/zinc/19/14/12/336191412.db2.gz NRQMXOLOVZXSPJ-IAGOWNOFSA-N 2 1 292.467 3.066 20 0 CGADMP CC[C@H]1C[N@H+](Cc2cnc(C3CCCC3)s2)CC[C@H]1[NH3+] ZINC000647498205 500741553 /nfs/dbraw/zinc/74/15/53/500741553.db2.gz COWOJPFNHBGKOY-SWLSCSKDSA-N 2 1 293.480 3.360 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cnc(C3CCCC3)s2)CC[C@H]1[NH3+] ZINC000647498205 500741554 /nfs/dbraw/zinc/74/15/54/500741554.db2.gz COWOJPFNHBGKOY-SWLSCSKDSA-N 2 1 293.480 3.360 20 0 CGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc2c(s1)CCC2 ZINC000423501068 533995150 /nfs/dbraw/zinc/99/51/50/533995150.db2.gz KXBSWUIINGXMSP-SMDDNHRTSA-N 2 1 278.465 3.405 20 0 CGADMP Cc1ccc(SCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000358366162 534215717 /nfs/dbraw/zinc/21/57/17/534215717.db2.gz HPIVNOLJQNCAOD-MRXNPFEDSA-N 2 1 292.492 3.469 20 0 CGADMP F[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411774934 534433152 /nfs/dbraw/zinc/43/31/52/534433152.db2.gz QCQBELZBWJVHTQ-QGZVFWFLSA-N 2 1 276.399 3.216 20 0 CGADMP F[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411774934 534433164 /nfs/dbraw/zinc/43/31/64/534433164.db2.gz QCQBELZBWJVHTQ-QGZVFWFLSA-N 2 1 276.399 3.216 20 0 CGADMP F[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411774932 534437477 /nfs/dbraw/zinc/43/74/77/534437477.db2.gz QCQBELZBWJVHTQ-KRWDZBQOSA-N 2 1 276.399 3.216 20 0 CGADMP F[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411774932 534437482 /nfs/dbraw/zinc/43/74/82/534437482.db2.gz QCQBELZBWJVHTQ-KRWDZBQOSA-N 2 1 276.399 3.216 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000459407490 534553693 /nfs/dbraw/zinc/55/36/93/534553693.db2.gz MGESCYMLOBPWBQ-SHARSMKWSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000459407490 534553704 /nfs/dbraw/zinc/55/37/04/534553704.db2.gz MGESCYMLOBPWBQ-SHARSMKWSA-N 2 1 264.457 3.418 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2cccc(OC(F)F)c2)CCCCC1 ZINC000414844515 534550119 /nfs/dbraw/zinc/55/01/19/534550119.db2.gz PRSOTCVRJXYVQH-UHFFFAOYSA-N 2 1 284.350 3.039 20 0 CGADMP CCOc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000105443568 521502580 /nfs/dbraw/zinc/50/25/80/521502580.db2.gz RFPMYKOCWQJTNA-CQSZACIVSA-N 2 1 287.407 3.016 20 0 CGADMP COCc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157391546 523106666 /nfs/dbraw/zinc/10/66/66/523106666.db2.gz JOCLWRSPRWIPIZ-MSOLQXFVSA-N 2 1 282.387 3.067 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000049553466 524167205 /nfs/dbraw/zinc/16/72/05/524167205.db2.gz LORALXNFWPYGIS-CHWSQXEVSA-N 2 1 260.381 3.424 20 0 CGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCOc2ccccc2)c2ccccc21 ZINC000157438661 527418527 /nfs/dbraw/zinc/41/85/27/527418527.db2.gz HLCBOUVXEIIZCW-ROUUACIJSA-N 2 1 282.387 3.190 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000366671981 527809788 /nfs/dbraw/zinc/80/97/88/527809788.db2.gz KIMWECVTORROHE-YRBFXIGRSA-N 2 1 290.426 3.392 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC000449028974 527835718 /nfs/dbraw/zinc/83/57/18/527835718.db2.gz NPPVZXDYKJYYHS-BBRMVZONSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC000449028974 527835723 /nfs/dbraw/zinc/83/57/23/527835723.db2.gz NPPVZXDYKJYYHS-BBRMVZONSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC000449028974 527835727 /nfs/dbraw/zinc/83/57/27/527835727.db2.gz NPPVZXDYKJYYHS-BBRMVZONSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(OC)c2)C[C@@H]1C ZINC000449028974 527835731 /nfs/dbraw/zinc/83/57/31/527835731.db2.gz NPPVZXDYKJYYHS-BBRMVZONSA-N 2 1 294.414 3.139 20 0 CGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C12CCCCC2 ZINC000423262166 527952342 /nfs/dbraw/zinc/95/23/42/527952342.db2.gz LVWXUTPWPWRBQO-HRCADAONSA-N 2 1 282.472 3.077 20 0 CGADMP CCCC(CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423497934 528000140 /nfs/dbraw/zinc/00/01/40/528000140.db2.gz AMUNARLTZTUXSX-DLBZAZTESA-N 2 1 260.425 3.300 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423265347 528164615 /nfs/dbraw/zinc/16/46/15/528164615.db2.gz CVOZRFUJOCJDBE-WMLDXEAASA-N 2 1 278.440 3.355 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccsc1 ZINC000414830732 528311029 /nfs/dbraw/zinc/31/10/29/528311029.db2.gz BMFITXCTNQZRDL-JSGCOSHPSA-N 2 1 254.443 3.032 20 0 CGADMP CCC[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449736512 528370010 /nfs/dbraw/zinc/37/00/10/528370010.db2.gz VFLGWUWPQYFSTP-DLBZAZTESA-N 2 1 296.499 3.293 20 0 CGADMP CC(C)n1cncc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000424133850 528624591 /nfs/dbraw/zinc/62/45/91/528624591.db2.gz MUNQMVBWDYKKNX-INIZCTEOSA-N 2 1 292.471 3.066 20 0 CGADMP CC(C)n1cncc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000424133853 528625706 /nfs/dbraw/zinc/62/57/06/528625706.db2.gz MUNQMVBWDYKKNX-MRXNPFEDSA-N 2 1 292.471 3.066 20 0 CGADMP CCCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000364312534 528637888 /nfs/dbraw/zinc/63/78/88/528637888.db2.gz GBDLSHBRHPPWSW-MSOLQXFVSA-N 2 1 272.436 3.356 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449078232 528817147 /nfs/dbraw/zinc/81/71/47/528817147.db2.gz XLTMSFDLHCBMLN-ZDUSSCGKSA-N 2 1 284.394 3.388 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423302897 528822345 /nfs/dbraw/zinc/82/23/45/528822345.db2.gz WFNIOQMUIWYEMA-HIFRSBDPSA-N 2 1 274.408 3.471 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423292875 528952012 /nfs/dbraw/zinc/95/20/12/528952012.db2.gz OTZHRCFPZAFSHD-ZDUSSCGKSA-N 2 1 271.408 3.403 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423288878 528954697 /nfs/dbraw/zinc/95/46/97/528954697.db2.gz VNOAOPYAZQKNFB-AWEZNQCLSA-N 2 1 280.387 3.147 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427099259 528995121 /nfs/dbraw/zinc/99/51/21/528995121.db2.gz GXJOCIQKHXLOGO-BZSNNMDCSA-N 2 1 272.436 3.110 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000436280538 529050906 /nfs/dbraw/zinc/05/09/06/529050906.db2.gz KZZMMPJMVDATIQ-KRWDZBQOSA-N 2 1 296.499 3.295 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423286125 529246613 /nfs/dbraw/zinc/24/66/13/529246613.db2.gz ZQHMQFKNYSJSHT-IAQYHMDHSA-N 2 1 264.438 3.187 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000128495549 535063353 /nfs/dbraw/zinc/06/33/53/535063353.db2.gz KZUYRMVUKDFRDO-MRXNPFEDSA-N 2 1 289.398 3.179 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000482261517 535365579 /nfs/dbraw/zinc/36/55/79/535365579.db2.gz XJNBHBOATRGJLW-KRWDZBQOSA-N 2 1 296.499 3.195 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC000450855109 536138626 /nfs/dbraw/zinc/13/86/26/536138626.db2.gz LOTVDPQGOJSTON-INIZCTEOSA-N 2 1 280.843 3.299 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000459723016 536384155 /nfs/dbraw/zinc/38/41/55/536384155.db2.gz CITONZILTDSPIX-CYBMUJFWSA-N 2 1 293.480 3.232 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCc2cccc(Cl)c2)C1 ZINC000459798793 536384364 /nfs/dbraw/zinc/38/43/64/536384364.db2.gz XXSSNDQHZPLQGB-OAHLLOKOSA-N 2 1 280.843 3.204 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000727469639 571749968 /nfs/dbraw/zinc/74/99/68/571749968.db2.gz ZFTSIORUGWSISO-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000045692228 572357860 /nfs/dbraw/zinc/35/78/60/572357860.db2.gz CYVJIKKBIBEUJI-NFOMZHRRSA-N 2 1 278.415 3.392 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000222933254 572361974 /nfs/dbraw/zinc/36/19/74/572361974.db2.gz KLUBPHPXUDDATI-KKXDTOCCSA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222933254 572361980 /nfs/dbraw/zinc/36/19/80/572361980.db2.gz KLUBPHPXUDDATI-KKXDTOCCSA-N 2 1 288.435 3.002 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]CCn1cc[nH+]c1C ZINC000356039341 572841629 /nfs/dbraw/zinc/84/16/29/572841629.db2.gz CXJODXRWBKHDLX-HNNXBMFYSA-N 2 1 251.418 3.388 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(C)CCOc2ccccc21 ZINC000933376261 618222574 /nfs/dbraw/zinc/22/25/74/618222574.db2.gz WLQLXJYUVCDOPV-GOSISDBHSA-N 2 1 299.418 3.259 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000892059534 618512039 /nfs/dbraw/zinc/51/20/39/618512039.db2.gz ACORKNZRKYYTSV-QAPCUYQASA-N 2 1 272.436 3.206 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000892105372 618534787 /nfs/dbraw/zinc/53/47/87/618534787.db2.gz KIELLOUAHMOVAF-SJLPKXTDSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000892105372 618534799 /nfs/dbraw/zinc/53/47/99/618534799.db2.gz KIELLOUAHMOVAF-SJLPKXTDSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000892105372 618534805 /nfs/dbraw/zinc/53/48/05/618534805.db2.gz KIELLOUAHMOVAF-SJLPKXTDSA-N 2 1 274.452 3.260 20 0 CGADMP Cc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000892105372 618534813 /nfs/dbraw/zinc/53/48/13/618534813.db2.gz KIELLOUAHMOVAF-SJLPKXTDSA-N 2 1 274.452 3.260 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106395 618535823 /nfs/dbraw/zinc/53/58/23/618535823.db2.gz UWPDSXRGXCIPOQ-CRAIPNDOSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106395 618535832 /nfs/dbraw/zinc/53/58/32/618535832.db2.gz UWPDSXRGXCIPOQ-CRAIPNDOSA-N 2 1 290.451 3.166 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106395 618535845 /nfs/dbraw/zinc/53/58/45/618535845.db2.gz UWPDSXRGXCIPOQ-CRAIPNDOSA-N 2 1 290.451 3.166 20 0 CGADMP COc1ccc([C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000782185060 618736501 /nfs/dbraw/zinc/73/65/01/618736501.db2.gz WKDFETJVXSFTAD-AWEZNQCLSA-N 2 1 276.424 3.030 20 0 CGADMP COC1CCC(C[NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000892432757 618777806 /nfs/dbraw/zinc/77/78/06/618777806.db2.gz PGROZILAUPLEGW-UHFFFAOYSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCCSC)[C@H](C)C1 ZINC000156877383 618846389 /nfs/dbraw/zinc/84/63/89/618846389.db2.gz CPXIERZHNVAAEJ-CABCVRRESA-N 2 1 272.502 3.230 20 0 CGADMP CCc1onc(C)c1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000892585903 618868063 /nfs/dbraw/zinc/86/80/63/618868063.db2.gz YVCBZQREUJDTPX-CQSZACIVSA-N 2 1 293.455 3.290 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000893029529 618980952 /nfs/dbraw/zinc/98/09/52/618980952.db2.gz MSBPQDRKKXMULK-QGZVFWFLSA-N 2 1 283.419 3.291 20 0 CGADMP FC(F)(F)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925508916 619001956 /nfs/dbraw/zinc/00/19/56/619001956.db2.gz JJAJPSSLHBTNGI-CQSZACIVSA-N 2 1 298.352 3.122 20 0 CGADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925574882 619070322 /nfs/dbraw/zinc/07/03/22/619070322.db2.gz COVGLCCQOYJNPV-RANZSIQMSA-N 2 1 290.451 3.116 20 0 CGADMP CCc1ccc([C@H](COC)[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)o1 ZINC000925623495 619093835 /nfs/dbraw/zinc/09/38/35/619093835.db2.gz SBLPCUFHPAQSRT-IPYPFGDCSA-N 2 1 294.439 3.025 20 0 CGADMP CC(C)C(C(C)C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925708743 619156466 /nfs/dbraw/zinc/15/64/66/619156466.db2.gz NIDFAEDZYRZSOL-AWEZNQCLSA-N 2 1 252.446 3.155 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCCC2)cc1F ZINC000066875545 619176495 /nfs/dbraw/zinc/17/64/95/619176495.db2.gz OIMRYGXKAGEALS-UHFFFAOYSA-N 2 1 273.355 3.352 20 0 CGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925735668 619209947 /nfs/dbraw/zinc/20/99/47/619209947.db2.gz IAZKGRYIAWMOHW-STQMWFEESA-N 2 1 296.842 3.215 20 0 CGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094371408 619249656 /nfs/dbraw/zinc/24/96/56/619249656.db2.gz AQGZZNIVDOYINU-CVEARBPZSA-N 2 1 282.472 3.188 20 0 CGADMP C[N@@H+](Cc1nc(C(C)(C)C)cs1)C1CCC([NH3+])CC1 ZINC000094970225 619267481 /nfs/dbraw/zinc/26/74/81/619267481.db2.gz SGDLUEFGXHPEJG-UHFFFAOYSA-N 2 1 281.469 3.142 20 0 CGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000237546373 619308836 /nfs/dbraw/zinc/30/88/36/619308836.db2.gz LPBQXOZTLLLWFB-ZIAGYGMSSA-N 2 1 252.446 3.275 20 0 CGADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3cccc4c3NCCC4)C2)n1 ZINC000893966372 619341240 /nfs/dbraw/zinc/34/12/40/619341240.db2.gz PQPVIVKTTFBDOP-INIZCTEOSA-N 2 1 296.418 3.147 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000894240986 619436982 /nfs/dbraw/zinc/43/69/82/619436982.db2.gz FILSMYPCPWRTEZ-MRXNPFEDSA-N 2 1 297.446 3.445 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000894240986 619436986 /nfs/dbraw/zinc/43/69/86/619436986.db2.gz FILSMYPCPWRTEZ-MRXNPFEDSA-N 2 1 297.446 3.445 20 0 CGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(SC)C2)c1 ZINC000924958496 619461497 /nfs/dbraw/zinc/46/14/97/619461497.db2.gz LOYRQBPBBDISNQ-UHFFFAOYSA-N 2 1 278.465 3.122 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000925056611 619513442 /nfs/dbraw/zinc/51/34/42/619513442.db2.gz GVNPDVJGUQIZBY-SJORKVTESA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000894495159 619554803 /nfs/dbraw/zinc/55/48/03/619554803.db2.gz JEQJHIXEGBYZTG-MAUKXSAKSA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000894495159 619554806 /nfs/dbraw/zinc/55/48/06/619554806.db2.gz JEQJHIXEGBYZTG-MAUKXSAKSA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000894495159 619554810 /nfs/dbraw/zinc/55/48/10/619554810.db2.gz JEQJHIXEGBYZTG-MAUKXSAKSA-N 2 1 289.467 3.052 20 0 CGADMP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000894495159 619554815 /nfs/dbraw/zinc/55/48/15/619554815.db2.gz JEQJHIXEGBYZTG-MAUKXSAKSA-N 2 1 289.467 3.052 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494173 619555542 /nfs/dbraw/zinc/55/55/42/619555542.db2.gz CVXLFFLITWFEHD-ZIFCJYIRSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494173 619555543 /nfs/dbraw/zinc/55/55/43/619555543.db2.gz CVXLFFLITWFEHD-ZIFCJYIRSA-N 2 1 284.447 3.133 20 0 CGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494173 619555548 /nfs/dbraw/zinc/55/55/48/619555548.db2.gz CVXLFFLITWFEHD-ZIFCJYIRSA-N 2 1 284.447 3.133 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C\c1cccc(F)c1 ZINC000894781628 619633754 /nfs/dbraw/zinc/63/37/54/619633754.db2.gz GTWAOSQASIMUOF-CTOCQWKHSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C\c1cccc(F)c1 ZINC000894781628 619633756 /nfs/dbraw/zinc/63/37/56/619633756.db2.gz GTWAOSQASIMUOF-CTOCQWKHSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C\c1cccc(F)c1 ZINC000894781628 619633757 /nfs/dbraw/zinc/63/37/57/619633757.db2.gz GTWAOSQASIMUOF-CTOCQWKHSA-N 2 1 276.399 3.111 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC000894781628 619633758 /nfs/dbraw/zinc/63/37/58/619633758.db2.gz GTWAOSQASIMUOF-CTOCQWKHSA-N 2 1 276.399 3.111 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860006 619656405 /nfs/dbraw/zinc/65/64/05/619656405.db2.gz SIXQJNBGXDPUKO-CJISVDGZSA-N 2 1 288.410 3.257 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860006 619656409 /nfs/dbraw/zinc/65/64/09/619656409.db2.gz SIXQJNBGXDPUKO-CJISVDGZSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860006 619656414 /nfs/dbraw/zinc/65/64/14/619656414.db2.gz SIXQJNBGXDPUKO-CJISVDGZSA-N 2 1 288.410 3.257 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860006 619656421 /nfs/dbraw/zinc/65/64/21/619656421.db2.gz SIXQJNBGXDPUKO-CJISVDGZSA-N 2 1 288.410 3.257 20 0 CGADMP C[C@H](CC[NH2+]Cc1cc(Cl)cc2cccnc21)[NH+](C)C ZINC000895298453 619798876 /nfs/dbraw/zinc/79/88/76/619798876.db2.gz WLVVINNVENKXEF-GFCCVEGCSA-N 2 1 291.826 3.318 20 0 CGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC1CCSCC1 ZINC000895375994 619815954 /nfs/dbraw/zinc/81/59/54/619815954.db2.gz BEIGIYOHRXYGSP-GOEBONIOSA-N 2 1 284.513 3.182 20 0 CGADMP CSCc1ccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000895841116 619892208 /nfs/dbraw/zinc/89/22/08/619892208.db2.gz DFVNIVCDUOOFPS-IAGOWNOFSA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000895841116 619892212 /nfs/dbraw/zinc/89/22/12/619892212.db2.gz DFVNIVCDUOOFPS-IAGOWNOFSA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000895841116 619892215 /nfs/dbraw/zinc/89/22/15/619892215.db2.gz DFVNIVCDUOOFPS-IAGOWNOFSA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000895841116 619892218 /nfs/dbraw/zinc/89/22/18/619892218.db2.gz DFVNIVCDUOOFPS-IAGOWNOFSA-N 2 1 290.476 3.076 20 0 CGADMP CSCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000895841116 619892222 /nfs/dbraw/zinc/89/22/22/619892222.db2.gz DFVNIVCDUOOFPS-IAGOWNOFSA-N 2 1 290.476 3.076 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144099 620179929 /nfs/dbraw/zinc/17/99/29/620179929.db2.gz UAWSVWOFQNMASN-JKIFEVAISA-N 2 1 290.451 3.047 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144099 620179931 /nfs/dbraw/zinc/17/99/31/620179931.db2.gz UAWSVWOFQNMASN-JKIFEVAISA-N 2 1 290.451 3.047 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc2ncccc12 ZINC000898306876 620509592 /nfs/dbraw/zinc/50/95/92/620509592.db2.gz PSHKKMUSJHXCEA-UHFFFAOYSA-N 2 1 285.435 3.254 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000924687773 620562981 /nfs/dbraw/zinc/56/29/81/620562981.db2.gz PQMWMDPYAGXGQU-GJZGRUSLSA-N 2 1 291.439 3.092 20 0 CGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C/C=C/Cl)CC1 ZINC000898434913 620587519 /nfs/dbraw/zinc/58/75/19/620587519.db2.gz YTHRNXCUFMIIQE-IOEOYNGKSA-N 2 1 270.848 3.372 20 0 CGADMP [NH3+]CCCCCC[N@@H+](Cc1cccs1)C1CC1 ZINC000042516936 621090622 /nfs/dbraw/zinc/09/06/22/621090622.db2.gz ZPZAPEBZCDTSSM-UHFFFAOYSA-N 2 1 252.427 3.232 20 0 CGADMP CCC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000902415747 621308772 /nfs/dbraw/zinc/30/87/72/621308772.db2.gz PYZNELATAUAPQF-ZDUSSCGKSA-N 2 1 252.789 3.262 20 0 CGADMP CC(C)[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000902413111 621323008 /nfs/dbraw/zinc/32/30/08/621323008.db2.gz IOKVFVHRPWRQKR-ZDUSSCGKSA-N 2 1 286.341 3.483 20 0 CGADMP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)c1 ZINC000902462358 621337239 /nfs/dbraw/zinc/33/72/39/621337239.db2.gz VEWBLJQSFZCXJP-USACIQFYSA-N 2 1 290.838 3.459 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccncc2)C2CC2)c2ccccc21 ZINC000902516267 621359779 /nfs/dbraw/zinc/35/97/79/621359779.db2.gz CISPYIXGOUTIBQ-FGTMMUONSA-N 2 1 279.387 3.267 20 0 CGADMP C[C@@H](ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000902775075 621434580 /nfs/dbraw/zinc/43/45/80/621434580.db2.gz PAFRMAKOJFNBJD-OHRKKDJYSA-N 2 1 287.407 3.119 20 0 CGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000902775075 621434583 /nfs/dbraw/zinc/43/45/83/621434583.db2.gz PAFRMAKOJFNBJD-OHRKKDJYSA-N 2 1 287.407 3.119 20 0 CGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000902775075 621434587 /nfs/dbraw/zinc/43/45/87/621434587.db2.gz PAFRMAKOJFNBJD-OHRKKDJYSA-N 2 1 287.407 3.119 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902993965 621515811 /nfs/dbraw/zinc/51/58/11/621515811.db2.gz ZKGQDVVZKIDOKB-NXHRZFHOSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902993965 621515818 /nfs/dbraw/zinc/51/58/18/621515818.db2.gz ZKGQDVVZKIDOKB-NXHRZFHOSA-N 2 1 296.499 3.290 20 0 CGADMP Fc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903055706 621545526 /nfs/dbraw/zinc/54/55/26/621545526.db2.gz JVRBMAIDJVKHSP-ZNXRZULTSA-N 2 1 288.410 3.116 20 0 CGADMP CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000903068309 621567179 /nfs/dbraw/zinc/56/71/79/621567179.db2.gz BNRJAPHTICYKER-ZWKOTPCHSA-N 2 1 290.451 3.184 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2CCCC3)CC1(C)C ZINC000903162168 621607367 /nfs/dbraw/zinc/60/73/67/621607367.db2.gz ZISREJPMCGKAAB-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903166275 621610704 /nfs/dbraw/zinc/61/07/04/621610704.db2.gz AVOFWAVCGZCSFD-AEIJQKHESA-N 2 1 262.441 3.170 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000903172772 621612976 /nfs/dbraw/zinc/61/29/76/621612976.db2.gz DOUJEFZLIXKDDZ-AEFFLSMTSA-N 2 1 286.463 3.428 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCS1 ZINC000903228544 621637960 /nfs/dbraw/zinc/63/79/60/621637960.db2.gz VKHQYRAKABNCBM-RRYDCEEVSA-N 2 1 280.481 3.018 20 0 CGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1C[C@H]1C1CC1 ZINC000903379575 621722446 /nfs/dbraw/zinc/72/24/46/621722446.db2.gz YIKOCMSQAFWMSI-MGHWNKPDSA-N 2 1 287.451 3.099 20 0 CGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@H]1CC1(C)C ZINC000903379769 621723003 /nfs/dbraw/zinc/72/30/03/621723003.db2.gz ILKCKCCPQYJNHW-NUEKZKHPSA-N 2 1 275.440 3.099 20 0 CGADMP C[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426749 621742209 /nfs/dbraw/zinc/74/22/09/621742209.db2.gz MPIHPIGJRNYCSN-MNOVXSKESA-N 2 1 270.779 3.038 20 0 CGADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC000903430767 621743848 /nfs/dbraw/zinc/74/38/48/621743848.db2.gz ALBGTFMAUZHXBX-IPYPFGDCSA-N 2 1 264.388 3.064 20 0 CGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]2CCCC[C@@H]12 ZINC000903430838 621744410 /nfs/dbraw/zinc/74/44/10/621744410.db2.gz DLFDNGFONRIATQ-OWYFMNJBSA-N 2 1 250.430 3.014 20 0 CGADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439098 621748133 /nfs/dbraw/zinc/74/81/33/621748133.db2.gz DBMPOOXYLWLFGJ-IKGGRYGDSA-N 2 1 260.425 3.067 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000903442480 621753523 /nfs/dbraw/zinc/75/35/23/621753523.db2.gz SBSLSUFEDCPLQU-SOUVJXGZSA-N 2 1 299.418 3.135 20 0 CGADMP c1cc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2[nH]1 ZINC000903454370 621761488 /nfs/dbraw/zinc/76/14/88/621761488.db2.gz ZCOYZZKLQRGLDN-AEFFLSMTSA-N 2 1 283.419 3.132 20 0 CGADMP [NH3+][C@H]1CCCCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903476966 621764010 /nfs/dbraw/zinc/76/40/10/621764010.db2.gz PSLKLUIWQGXROQ-ARFHVFGLSA-N 2 1 294.389 3.239 20 0 CGADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903476966 621764017 /nfs/dbraw/zinc/76/40/17/621764017.db2.gz PSLKLUIWQGXROQ-ARFHVFGLSA-N 2 1 294.389 3.239 20 0 CGADMP c1ccc([C@@]23C[C@@H]2C[N@H+](CCCC2CC[NH2+]CC2)C3)cc1 ZINC000903490786 621766575 /nfs/dbraw/zinc/76/65/75/621766575.db2.gz IFVXZCNQBQEFCC-MOPGFXCFSA-N 2 1 284.447 3.040 20 0 CGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499591 621766855 /nfs/dbraw/zinc/76/68/55/621766855.db2.gz WVSGQVFSOUKDQB-CZUORRHYSA-N 2 1 299.418 3.067 20 0 CGADMP Fc1cccc(C[N@@H+](C[C@H]2CCCC[NH2+]C2)C2CC2)c1 ZINC000903722888 621795923 /nfs/dbraw/zinc/79/59/23/621795923.db2.gz FCWRHDROLGEADB-HNNXBMFYSA-N 2 1 276.399 3.180 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734709 621800546 /nfs/dbraw/zinc/80/05/46/621800546.db2.gz VEOKGBWOMNNTNZ-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CF)[C@@H]1CCC[NH3+] ZINC000903766704 621803687 /nfs/dbraw/zinc/80/36/87/621803687.db2.gz RAJPJIFCVPDXGW-RHSMWYFYSA-N 2 1 278.415 3.496 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903778919 621806138 /nfs/dbraw/zinc/80/61/38/621806138.db2.gz SZWDBQSYGDMASV-KRWDZBQOSA-N 2 1 278.415 3.353 20 0 CGADMP Fc1cccc(F)c1[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903784762 621808310 /nfs/dbraw/zinc/80/83/10/621808310.db2.gz RPWGBUYQYPPHBK-KBPBESRZSA-N 2 1 294.389 3.144 20 0 CGADMP Fc1cccc(F)c1[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903784762 621808315 /nfs/dbraw/zinc/80/83/15/621808315.db2.gz RPWGBUYQYPPHBK-KBPBESRZSA-N 2 1 294.389 3.144 20 0 CGADMP [NH3+]CCCCCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000903830165 621818461 /nfs/dbraw/zinc/81/84/61/621818461.db2.gz VIBRLTUDJLKNPZ-UHFFFAOYSA-N 2 1 252.789 3.175 20 0 CGADMP [NH3+]CCCCCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000903830165 621818462 /nfs/dbraw/zinc/81/84/62/621818462.db2.gz VIBRLTUDJLKNPZ-UHFFFAOYSA-N 2 1 252.789 3.175 20 0 CGADMP CC[N@H+](Cc1ccc(OC)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885723 621827000 /nfs/dbraw/zinc/82/70/00/621827000.db2.gz JXZQMIQSAVXBOC-ALOPSCKCSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)C[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903885926 621827107 /nfs/dbraw/zinc/82/71/07/621827107.db2.gz OWBZRALBXTWRJW-AWEZNQCLSA-N 2 1 270.367 3.127 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903896605 621828892 /nfs/dbraw/zinc/82/88/92/621828892.db2.gz VXHMBLDVVBWFOT-MJBXVCDLSA-N 2 1 282.378 3.155 20 0 CGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903896605 621828896 /nfs/dbraw/zinc/82/88/96/621828896.db2.gz VXHMBLDVVBWFOT-MJBXVCDLSA-N 2 1 282.378 3.155 20 0 CGADMP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902977 621830942 /nfs/dbraw/zinc/83/09/42/621830942.db2.gz QDTYFMSOGOBGPT-FJCXZIGKSA-N 2 1 290.373 3.180 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC2(CCCC2)C1 ZINC000903908468 621832057 /nfs/dbraw/zinc/83/20/57/621832057.db2.gz JMAQEEDBLYIDHV-MQVJKMGUSA-N 2 1 262.441 3.173 20 0 CGADMP Cc1cc(F)cc2c1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903913076 621832882 /nfs/dbraw/zinc/83/28/82/621832882.db2.gz LGHZDPQYNAZVFW-FUCXHRTASA-N 2 1 288.410 3.023 20 0 CGADMP C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914134 621832988 /nfs/dbraw/zinc/83/29/88/621832988.db2.gz GUIVOVHGIBVGQW-APYLGABCSA-N 2 1 290.373 3.180 20 0 CGADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000903932403 621834698 /nfs/dbraw/zinc/83/46/98/621834698.db2.gz QTECOGFGLQJZAY-YQAQFAQXSA-N 2 1 262.441 3.172 20 0 CGADMP Cc1ccc(C[N@@H+](CC2CC2)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000903932051 621834936 /nfs/dbraw/zinc/83/49/36/621834936.db2.gz LXYKMRBEUDXEAW-YQQQUEKLSA-N 2 1 299.462 3.133 20 0 CGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c2ccccc21 ZINC000903933943 621835139 /nfs/dbraw/zinc/83/51/39/621835139.db2.gz BPUPPVYLTIWOGL-CQDKDKBSSA-N 2 1 282.378 3.443 20 0 CGADMP CC(C)c1ncc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000903959601 621837242 /nfs/dbraw/zinc/83/72/42/621837242.db2.gz KPQRDYKFWATCHN-INIZCTEOSA-N 2 1 293.480 3.232 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000903959601 621837244 /nfs/dbraw/zinc/83/72/44/621837244.db2.gz KPQRDYKFWATCHN-INIZCTEOSA-N 2 1 293.480 3.232 20 0 CGADMP C(C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)CC1CCCCC1 ZINC000903970459 621843737 /nfs/dbraw/zinc/84/37/37/621843737.db2.gz XKZQGQTUHWESTM-QGZVFWFLSA-N 2 1 294.483 3.095 20 0 CGADMP CCC1(C)CCC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903973949 621844373 /nfs/dbraw/zinc/84/43/73/621844373.db2.gz QYMSHWGEFCJUIB-AQFXKWCLSA-N 2 1 294.483 3.094 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000903964926 621845260 /nfs/dbraw/zinc/84/52/60/621845260.db2.gz YCRMZGXFMYXXAB-MISXGVKJSA-N 2 1 286.341 3.006 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000904322504 621905599 /nfs/dbraw/zinc/90/55/99/621905599.db2.gz YTAQDKYXHXCUJK-GLQYFDAESA-N 2 1 296.867 3.167 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000904326636 621907977 /nfs/dbraw/zinc/90/79/77/621907977.db2.gz OKWHILJHJPRLEH-WVSHTKLVSA-N 2 1 285.218 3.089 20 0 CGADMP CC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000904336330 621908542 /nfs/dbraw/zinc/90/85/42/621908542.db2.gz NUWDMPXECNARKW-YOEHRIQHSA-N 2 1 276.424 3.165 20 0 CGADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000904345847 621910619 /nfs/dbraw/zinc/91/06/19/621910619.db2.gz KACIYEHBFFUWBG-JKSUJKDBSA-N 2 1 282.472 3.031 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000904405645 621918622 /nfs/dbraw/zinc/91/86/22/621918622.db2.gz MASSQYDZFATDSI-LBPRGKRZSA-N 2 1 260.406 3.072 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c2ccccc12 ZINC000904409579 621919482 /nfs/dbraw/zinc/91/94/82/621919482.db2.gz CUQNAAQUNHPTCY-AWEZNQCLSA-N 2 1 284.403 3.019 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590383 622251460 /nfs/dbraw/zinc/25/14/60/622251460.db2.gz PYQUWQRLNFCKKI-RCCFBDPRSA-N 2 1 288.410 3.099 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590383 622251465 /nfs/dbraw/zinc/25/14/65/622251465.db2.gz PYQUWQRLNFCKKI-RCCFBDPRSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590383 622251468 /nfs/dbraw/zinc/25/14/68/622251468.db2.gz PYQUWQRLNFCKKI-RCCFBDPRSA-N 2 1 288.410 3.099 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1C[C@H]1c1cccc(F)c1)C2 ZINC000906590383 622251473 /nfs/dbraw/zinc/25/14/73/622251473.db2.gz PYQUWQRLNFCKKI-RCCFBDPRSA-N 2 1 288.410 3.099 20 0 CGADMP CC[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924828320 622446287 /nfs/dbraw/zinc/44/62/87/622446287.db2.gz IIBQFWODQRPBQH-QZTJIDSGSA-N 2 1 290.451 3.041 20 0 CGADMP C[C@H](C[NH2+]Cc1ccccc1OC(F)F)C[NH+]1CCCC1 ZINC000057993911 622895879 /nfs/dbraw/zinc/89/58/79/622895879.db2.gz RVVKZKNCNLNENC-CYBMUJFWSA-N 2 1 298.377 3.110 20 0 CGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2CF)CC1 ZINC000929470548 623420600 /nfs/dbraw/zinc/42/06/00/623420600.db2.gz MJEQGCXXBPTNIH-UHFFFAOYSA-N 2 1 278.415 3.461 20 0 CGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CCCCC1 ZINC000921598985 625693301 /nfs/dbraw/zinc/69/33/01/625693301.db2.gz RSYVNKVLTYIBCY-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CCCCC1 ZINC000921598985 625693306 /nfs/dbraw/zinc/69/33/06/625693306.db2.gz RSYVNKVLTYIBCY-YESZJQIVSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1ccccc1[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000925480680 624508998 /nfs/dbraw/zinc/50/89/98/624508998.db2.gz GXGYYPGRAAWKRG-IQBITKQYSA-N 2 1 282.431 3.032 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000237539417 624515551 /nfs/dbraw/zinc/51/55/51/624515551.db2.gz PFIVLIHOCIDQAM-GFCCVEGCSA-N 2 1 277.799 3.271 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000921688722 625839469 /nfs/dbraw/zinc/83/94/69/625839469.db2.gz CLGYTBUJCWNAQY-BZUAXINKSA-N 2 1 284.513 3.371 20 0 CGADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000922269328 625992161 /nfs/dbraw/zinc/99/21/61/625992161.db2.gz MPMKFHYQWGWOHF-BRWVUGGUSA-N 2 1 296.524 3.372 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC1(C)C ZINC000922947592 626105675 /nfs/dbraw/zinc/10/56/75/626105675.db2.gz AEEFADJRIKMGSB-KBPBESRZSA-N 2 1 282.472 3.043 20 0 CGADMP CCCO[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923313184 626145128 /nfs/dbraw/zinc/14/51/28/626145128.db2.gz OWVTVVNQBZITCI-HQSKLWIPSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CC[C@H]1C[NH3+] ZINC000923495751 626157908 /nfs/dbraw/zinc/15/79/08/626157908.db2.gz XBZGOQGTUQQGST-HACGYAERSA-N 2 1 276.399 3.120 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1C[NH3+] ZINC000923499277 626158895 /nfs/dbraw/zinc/15/88/95/626158895.db2.gz MIGSLIBRKVDMDN-RDTXWAMCSA-N 2 1 268.404 3.257 20 0 CGADMP c1ccc(CSCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000754785220 626587297 /nfs/dbraw/zinc/58/72/97/626587297.db2.gz JRUCVGJSUVYPGJ-DLBZAZTESA-N 2 1 290.476 3.136 20 0 CGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000839533113 626756789 /nfs/dbraw/zinc/75/67/89/626756789.db2.gz PNCUGKKZSSPYKZ-MSOLQXFVSA-N 2 1 270.420 3.267 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000764807481 627225940 /nfs/dbraw/zinc/22/59/40/627225940.db2.gz WETAGQWIJBIECV-ZDUSSCGKSA-N 2 1 260.491 3.227 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000765358996 627246718 /nfs/dbraw/zinc/24/67/18/627246718.db2.gz JNOCWIBWAZXERF-XJKCOSOUSA-N 2 1 264.388 3.002 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cncc3ccccc32)C1 ZINC000769514282 627561983 /nfs/dbraw/zinc/56/19/83/627561983.db2.gz IMOISFLHTZSEIX-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769514282 627561986 /nfs/dbraw/zinc/56/19/86/627561986.db2.gz IMOISFLHTZSEIX-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cncc3ccccc32)C1 ZINC000769514282 627561989 /nfs/dbraw/zinc/56/19/89/627561989.db2.gz IMOISFLHTZSEIX-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000769514282 627561993 /nfs/dbraw/zinc/56/19/93/627561993.db2.gz IMOISFLHTZSEIX-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000769514282 627561996 /nfs/dbraw/zinc/56/19/96/627561996.db2.gz IMOISFLHTZSEIX-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000770732434 627640513 /nfs/dbraw/zinc/64/05/13/627640513.db2.gz CMNHQODWNKIIJL-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[C@H](CC)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000770732434 627640515 /nfs/dbraw/zinc/64/05/15/627640515.db2.gz CMNHQODWNKIIJL-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000775446877 628095741 /nfs/dbraw/zinc/09/57/41/628095741.db2.gz UVFYBOAWTVXGFZ-QGZVFWFLSA-N 2 1 286.423 3.354 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000776164971 628174015 /nfs/dbraw/zinc/17/40/15/628174015.db2.gz WMBUBSIPZMBOFY-LDBYLJPUSA-N 2 1 294.483 3.185 20 0 CGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000776164971 628174019 /nfs/dbraw/zinc/17/40/19/628174019.db2.gz WMBUBSIPZMBOFY-LDBYLJPUSA-N 2 1 294.483 3.185 20 0 CGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)CCN1C ZINC000777596751 628287254 /nfs/dbraw/zinc/28/72/54/628287254.db2.gz YGXOAMNBYMAHAU-BBRMVZONSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC000777596751 628287255 /nfs/dbraw/zinc/28/72/55/628287255.db2.gz YGXOAMNBYMAHAU-BBRMVZONSA-N 2 1 264.388 3.071 20 0 CGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CF)cc2)CC[N@H+]1C ZINC000777596751 628287258 /nfs/dbraw/zinc/28/72/58/628287258.db2.gz YGXOAMNBYMAHAU-BBRMVZONSA-N 2 1 264.388 3.071 20 0 CGADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000781415588 628558943 /nfs/dbraw/zinc/55/89/43/628558943.db2.gz BPMSYDGWOPZHIJ-OCCSQVGLSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000781415588 628558945 /nfs/dbraw/zinc/55/89/45/628558945.db2.gz BPMSYDGWOPZHIJ-OCCSQVGLSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1c[nH+]ccc1OC1CC[NH+](C[Si](C)(C)C)CC1 ZINC000788003612 629039245 /nfs/dbraw/zinc/03/92/45/629039245.db2.gz DROTWUCJYPCJIZ-UHFFFAOYSA-N 2 1 278.472 3.111 20 0 CGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H](c2ccco2)C1 ZINC000788481174 629057975 /nfs/dbraw/zinc/05/79/75/629057975.db2.gz FLKLVJYSUQZWJF-GDBMZVCRSA-N 2 1 276.424 3.394 20 0 CGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000788479639 629058336 /nfs/dbraw/zinc/05/83/36/629058336.db2.gz YKHSJWVPBPADLR-HNNXBMFYSA-N 2 1 290.451 3.420 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)C1CC(F)(F)C1)[NH+](C)C ZINC000862268002 629334467 /nfs/dbraw/zinc/33/44/67/629334467.db2.gz RJFUHUCEFDHQJX-BXUZGUMPSA-N 2 1 276.415 3.376 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000793527175 629475771 /nfs/dbraw/zinc/47/57/71/629475771.db2.gz UDUNBGTWDWGLRZ-JKSUJKDBSA-N 2 1 292.471 3.034 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000863541599 629601766 /nfs/dbraw/zinc/60/17/66/629601766.db2.gz JXZFDKYFOJSXNF-UHFFFAOYSA-N 2 1 289.467 3.469 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)cn1 ZINC000796694311 629816064 /nfs/dbraw/zinc/81/60/64/629816064.db2.gz LFMARJRIQXHOJR-CVEARBPZSA-N 2 1 284.407 3.100 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000796704850 629817621 /nfs/dbraw/zinc/81/76/21/629817621.db2.gz CFTWOOHNGSOXRP-RNJTYBCJSA-N 2 1 290.426 3.392 20 0 CGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccon2)CC1 ZINC000796790543 629834901 /nfs/dbraw/zinc/83/49/01/629834901.db2.gz RRBPVPXIOZNAPJ-UHFFFAOYSA-N 2 1 299.418 3.207 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000797600322 629967116 /nfs/dbraw/zinc/96/71/16/629967116.db2.gz PZBOQXNKLUBHDC-AWEZNQCLSA-N 2 1 295.858 3.253 20 0 CGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000797600322 629967118 /nfs/dbraw/zinc/96/71/18/629967118.db2.gz PZBOQXNKLUBHDC-AWEZNQCLSA-N 2 1 295.858 3.253 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000797600323 629967618 /nfs/dbraw/zinc/96/76/18/629967618.db2.gz PZBOQXNKLUBHDC-CQSZACIVSA-N 2 1 295.858 3.253 20 0 CGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000797600323 629967623 /nfs/dbraw/zinc/96/76/23/629967623.db2.gz PZBOQXNKLUBHDC-CQSZACIVSA-N 2 1 295.858 3.253 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002357 630013715 /nfs/dbraw/zinc/01/37/15/630013715.db2.gz FOEALSUJTIPETN-BMFZPTHFSA-N 2 1 250.430 3.172 20 0 CGADMP C[NH+](C)CC1(C[NH2+]Cc2cnc(Cl)c(F)c2)CCCC1 ZINC000865528074 630170013 /nfs/dbraw/zinc/17/00/13/630170013.db2.gz OHZGTWUIHCFKMA-UHFFFAOYSA-N 2 1 299.821 3.086 20 0 CGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806133051 630545984 /nfs/dbraw/zinc/54/59/84/630545984.db2.gz FTCDDFGEAQGIPB-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806133051 630545988 /nfs/dbraw/zinc/54/59/88/630545988.db2.gz FTCDDFGEAQGIPB-OCCSQVGLSA-N 2 1 293.842 3.044 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCc2nc(Cl)ccc21)C[NH+]1CCCC1 ZINC000806131174 630546083 /nfs/dbraw/zinc/54/60/83/630546083.db2.gz HTSLBXGYHBZVLT-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCC=CO1 ZINC000809739321 630794603 /nfs/dbraw/zinc/79/46/03/630794603.db2.gz GSDNMRNIUWDYTA-SFHVURJKSA-N 2 1 288.435 3.263 20 0 CGADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C(C1CCCC1)C1CCCC1 ZINC000817893837 632230168 /nfs/dbraw/zinc/23/01/68/632230168.db2.gz ITAFEDGXTNBOQF-WMLDXEAASA-N 2 1 294.483 3.092 20 0 CGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC000817892354 632230172 /nfs/dbraw/zinc/23/01/72/632230172.db2.gz TZSPQSXDMIVYJV-TZMCWYRMSA-N 2 1 281.831 3.135 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000817964055 632258566 /nfs/dbraw/zinc/25/85/66/632258566.db2.gz XTLCUWQGUXWIFO-KLHDSHLOSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817970175 632263092 /nfs/dbraw/zinc/26/30/92/632263092.db2.gz NGHMTUWCYNBBMD-TVQRCGJNSA-N 2 1 286.391 3.316 20 0 CGADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccn1 ZINC000866218627 633034116 /nfs/dbraw/zinc/03/41/16/633034116.db2.gz UHLXGAYXYAFHRP-GOSISDBHSA-N 2 1 289.467 3.490 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccn1 ZINC000866225438 633034987 /nfs/dbraw/zinc/03/49/87/633034987.db2.gz YQORJVCTDWKKGY-INIZCTEOSA-N 2 1 263.429 3.099 20 0 CGADMP CC(C)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccn1 ZINC000866225438 633034993 /nfs/dbraw/zinc/03/49/93/633034993.db2.gz YQORJVCTDWKKGY-INIZCTEOSA-N 2 1 263.429 3.099 20 0 CGADMP Cc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000866239711 633040382 /nfs/dbraw/zinc/04/03/82/633040382.db2.gz ZZBWTZJAAGSYLW-SZMVWBNQSA-N 2 1 272.436 3.142 20 0 CGADMP CC(C)[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccn1 ZINC000866341813 633088113 /nfs/dbraw/zinc/08/81/13/633088113.db2.gz ZVJSJZDJMNHJRY-KRWDZBQOSA-N 2 1 289.467 3.490 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866451000 633140989 /nfs/dbraw/zinc/14/09/89/633140989.db2.gz CMTLROCOIBTMLD-VXLLPVPCSA-N 2 1 296.499 3.433 20 0 CGADMP C[C@H]1C[C@@H](NCc2ccc(C(C)(C)C)o2)CC[N@H+]1C ZINC000866574184 633200610 /nfs/dbraw/zinc/20/06/10/633200610.db2.gz QGOWJOVRGNTBII-STQMWFEESA-N 2 1 264.413 3.149 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000866584725 633203652 /nfs/dbraw/zinc/20/36/52/633203652.db2.gz PYWICJQXHUSDED-NJAFHUGGSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000866584725 633203656 /nfs/dbraw/zinc/20/36/56/633203656.db2.gz PYWICJQXHUSDED-NJAFHUGGSA-N 2 1 270.420 3.090 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000866584725 633203657 /nfs/dbraw/zinc/20/36/57/633203657.db2.gz PYWICJQXHUSDED-NJAFHUGGSA-N 2 1 270.420 3.090 20 0 CGADMP C[N@H+]1CCCC12CCN(C[C@]1(C)CC1(Cl)Cl)CC2 ZINC000828614366 633634856 /nfs/dbraw/zinc/63/48/56/633634856.db2.gz OJQPYTFRGHSUFR-LBPRGKRZSA-N 2 1 291.266 3.131 20 0 CGADMP C[N@@H+]1CCCC12CC[NH+](C[C@]1(C)CC1(Cl)Cl)CC2 ZINC000828614366 633634859 /nfs/dbraw/zinc/63/48/59/633634859.db2.gz OJQPYTFRGHSUFR-LBPRGKRZSA-N 2 1 291.266 3.131 20 0 CGADMP C[N@H+]1CCCC12CC[NH+](C[C@]1(C)CC1(Cl)Cl)CC2 ZINC000828614366 633634860 /nfs/dbraw/zinc/63/48/60/633634860.db2.gz OJQPYTFRGHSUFR-LBPRGKRZSA-N 2 1 291.266 3.131 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000872024213 633944852 /nfs/dbraw/zinc/94/48/52/633944852.db2.gz YUBXMOUPLOMEDR-BZSNNMDCSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)C[NH+](CC)CC ZINC000872032555 633951686 /nfs/dbraw/zinc/95/16/86/633951686.db2.gz WBPQAXGTVVFOBH-VXGBXAGGSA-N 2 1 268.367 3.427 20 0 CGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872073590 633995989 /nfs/dbraw/zinc/99/59/89/633995989.db2.gz SFTVMHLTJKYCMY-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872073590 633995992 /nfs/dbraw/zinc/99/59/92/633995992.db2.gz SFTVMHLTJKYCMY-HZPDHXFCSA-N 2 1 282.472 3.188 20 0 CGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)CC ZINC000872075218 633998204 /nfs/dbraw/zinc/99/82/04/633998204.db2.gz ANYNSUFRHAXTQU-JALIKCBVSA-N 2 1 252.446 3.416 20 0 CGADMP C[N@H+](CCCCCC[NH3+])Cc1noc2c1CC(C)(C)CC2 ZINC000872156371 634065905 /nfs/dbraw/zinc/06/59/05/634065905.db2.gz IRZJUTSQPLWYNU-UHFFFAOYSA-N 2 1 293.455 3.140 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1noc2c1CC(C)(C)CC2 ZINC000872156371 634065910 /nfs/dbraw/zinc/06/59/10/634065910.db2.gz IRZJUTSQPLWYNU-UHFFFAOYSA-N 2 1 293.455 3.140 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1ncc(-c2ccccc2)o1 ZINC000872155169 634066569 /nfs/dbraw/zinc/06/65/69/634066569.db2.gz FGYPIKJNHMUVNZ-UHFFFAOYSA-N 2 1 287.407 3.293 20 0 CGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2ccccn2)C1)C1CCCC1 ZINC000872157528 634068128 /nfs/dbraw/zinc/06/81/28/634068128.db2.gz PHCYPXXUWVWCFF-QAPCUYQASA-N 2 1 287.451 3.201 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279714 634098054 /nfs/dbraw/zinc/09/80/54/634098054.db2.gz HGFKFSAVNXJWJL-KRWDZBQOSA-N 2 1 282.472 3.142 20 0 CGADMP CC[C@@H](C[NH2+]Cc1cccc2ncccc12)[NH+]1CCCC1 ZINC000873012413 634231073 /nfs/dbraw/zinc/23/10/73/634231073.db2.gz HKYKLFBUVXWPOF-INIZCTEOSA-N 2 1 283.419 3.199 20 0 CGADMP CCOc1cccc(F)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000873130538 634252721 /nfs/dbraw/zinc/25/27/21/634252721.db2.gz HEORSXXZBFQPSM-CQSZACIVSA-N 2 1 294.414 3.046 20 0 CGADMP CC1(C)CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)OC1 ZINC000878120478 635365878 /nfs/dbraw/zinc/36/58/78/635365878.db2.gz IOYHSLYDOJDSTO-IRXDYDNUSA-N 2 1 294.483 3.142 20 0 CGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC000842471840 635376391 /nfs/dbraw/zinc/37/63/91/635376391.db2.gz CNOMDPQNKXVMGS-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H](c2ccsc2)O1 ZINC000842472767 635378222 /nfs/dbraw/zinc/37/82/22/635378222.db2.gz KGUQNDRMCSWHJR-GDBMZVCRSA-N 2 1 296.480 3.419 20 0 CGADMP Cc1nc2sccn2c1C[N@@H+](C)CCCCCCC[NH3+] ZINC000842476578 635379319 /nfs/dbraw/zinc/37/93/19/635379319.db2.gz RSLIMGAOMASLLO-UHFFFAOYSA-N 2 1 294.468 3.045 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000842476690 635380172 /nfs/dbraw/zinc/38/01/72/635380172.db2.gz SCKHBZFIUYJRNG-INIZCTEOSA-N 2 1 261.413 3.128 20 0 CGADMP Cc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)nc1Cl ZINC000878253464 635434220 /nfs/dbraw/zinc/43/42/20/635434220.db2.gz NVPRSDZPNIJUAK-LBPRGKRZSA-N 2 1 290.798 3.146 20 0 CGADMP C=C/C=C\CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000878523011 635542154 /nfs/dbraw/zinc/54/21/54/635542154.db2.gz VJOTWIRXADAMRW-PLNGDYQASA-N 2 1 272.392 3.366 20 0 CGADMP C=C/C=C/CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000878523012 635542557 /nfs/dbraw/zinc/54/25/57/635542557.db2.gz VJOTWIRXADAMRW-SNAWJCMRSA-N 2 1 272.392 3.366 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCOc1ccccc1 ZINC000843052603 635550291 /nfs/dbraw/zinc/55/02/91/635550291.db2.gz ADIUKIKVXUGLSX-ALOPSCKCSA-N 2 1 288.435 3.190 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000843354959 635652397 /nfs/dbraw/zinc/65/23/97/635652397.db2.gz GSBPTWIMPZFXAH-UHFFFAOYSA-N 2 1 296.842 3.311 20 0 CGADMP FC(F)(F)c1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000843358217 635653945 /nfs/dbraw/zinc/65/39/45/635653945.db2.gz DJNZGNYQKZDIHC-WFASDCNBSA-N 2 1 298.352 3.452 20 0 CGADMP FC(F)(F)c1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000843358217 635653948 /nfs/dbraw/zinc/65/39/48/635653948.db2.gz DJNZGNYQKZDIHC-WFASDCNBSA-N 2 1 298.352 3.452 20 0 CGADMP CCC1([NH+](C)C)CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000879286173 635747016 /nfs/dbraw/zinc/74/70/16/635747016.db2.gz MLAAASLSDPUECQ-GFCCVEGCSA-N 2 1 293.282 3.377 20 0 CGADMP C1=CC[C@@H]2C[NH+](CCC[N@@H+]3C[C@@H]4CC=CC[C@@H]4C3)C[C@@H]2C1 ZINC000879530162 635805102 /nfs/dbraw/zinc/80/51/02/635805102.db2.gz MXGXMJQPRZHKEY-QGFMHUBQSA-N 2 1 286.463 3.173 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879997912 635894012 /nfs/dbraw/zinc/89/40/12/635894012.db2.gz YAXUGUPQWZQMGD-IEBWSBKVSA-N 2 1 284.447 3.061 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879997912 635894018 /nfs/dbraw/zinc/89/40/18/635894018.db2.gz YAXUGUPQWZQMGD-IEBWSBKVSA-N 2 1 284.447 3.061 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879997912 635894021 /nfs/dbraw/zinc/89/40/21/635894021.db2.gz YAXUGUPQWZQMGD-IEBWSBKVSA-N 2 1 284.447 3.061 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000844902563 635981202 /nfs/dbraw/zinc/98/12/02/635981202.db2.gz QPKPOFWFDUGKSD-OCCSQVGLSA-N 2 1 281.469 3.216 20 0 CGADMP Cc1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(C)s1 ZINC000880472551 636007489 /nfs/dbraw/zinc/00/74/89/636007489.db2.gz SNVOZIURSXKHJZ-UHFFFAOYSA-N 2 1 278.465 3.425 20 0 CGADMP ClC1(Cl)C[C@@H]1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000846106444 636144111 /nfs/dbraw/zinc/14/41/11/636144111.db2.gz ZDJAVSSYMVXOGG-RWMBFGLXSA-N 2 1 291.266 3.177 20 0 CGADMP CCC[N@@H+](CCCCCC[NH3+])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000846219854 636162536 /nfs/dbraw/zinc/16/25/36/636162536.db2.gz ZNMZITYFNVVESZ-XHSDSOJGSA-N 2 1 282.472 3.031 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@@H]1CCCC1(F)F ZINC000883424047 636751187 /nfs/dbraw/zinc/75/11/87/636751187.db2.gz DCOLYWQYFHIPPQ-FUDCBSFHSA-N 2 1 272.383 3.156 20 0 CGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCC1(F)F ZINC000883424047 636751203 /nfs/dbraw/zinc/75/12/03/636751203.db2.gz DCOLYWQYFHIPPQ-FUDCBSFHSA-N 2 1 272.383 3.156 20 0 CGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000883439373 636756802 /nfs/dbraw/zinc/75/68/02/636756802.db2.gz PUYZQVCBMWVXSL-NVXWUHKLSA-N 2 1 294.483 3.175 20 0 CGADMP c1c[nH]c([C@@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC000886069665 637399140 /nfs/dbraw/zinc/39/91/40/637399140.db2.gz JSZSPXLMKZNOPU-KFWWJZLASA-N 2 1 259.397 3.025 20 0 CGADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000851750409 637492617 /nfs/dbraw/zinc/49/26/17/637492617.db2.gz FDEBHBFZEXPIPE-FGTMMUONSA-N 2 1 294.483 3.142 20 0 CGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)[nH+]c1C ZINC000886659023 637637479 /nfs/dbraw/zinc/63/74/79/637637479.db2.gz ALMLQNXPBSZLMP-HNNXBMFYSA-N 2 1 291.439 3.021 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(C)nc3C)CC2)[nH+]c1C ZINC000886662643 637639562 /nfs/dbraw/zinc/63/95/62/637639562.db2.gz IRWQWEHCAWGUPX-UHFFFAOYSA-N 2 1 298.434 3.418 20 0 CGADMP Cc1[nH]c(C2CC[NH+](Cc3cncc(C)c3)CC2)[nH+]c1C ZINC000886662424 637639835 /nfs/dbraw/zinc/63/98/35/637639835.db2.gz DFAGKGNDCDOFLP-UHFFFAOYSA-N 2 1 284.407 3.110 20 0 CGADMP Cc1cccc2c1CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000852745052 637705029 /nfs/dbraw/zinc/70/50/29/637705029.db2.gz NRAORHQLFQMWAO-UHFFFAOYSA-N 2 1 292.426 3.199 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852751208 637707182 /nfs/dbraw/zinc/70/71/82/637707182.db2.gz SPNBCKKZWPNVLD-ZBFHGGJFSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1ccc(F)cc1F ZINC000886897906 637718234 /nfs/dbraw/zinc/71/82/34/637718234.db2.gz LQUPCLAZWZIWJZ-UHFFFAOYSA-N 2 1 293.361 3.385 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000854229437 638029202 /nfs/dbraw/zinc/02/92/02/638029202.db2.gz NPUYGZDALDQZEP-NONVJHHQSA-N 2 1 288.435 3.065 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@H]1CCCO)C(C)C ZINC000924557317 638361409 /nfs/dbraw/zinc/36/14/09/638361409.db2.gz SJTWBFMLKPDIBO-DLBZAZTESA-N 2 1 284.488 3.026 20 0 CGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccnn1CC1CCC1 ZINC000924618316 638377222 /nfs/dbraw/zinc/37/72/22/638377222.db2.gz XNVWQJGLZVFVCM-HNNXBMFYSA-N 2 1 292.471 3.064 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000924618316 638377226 /nfs/dbraw/zinc/37/72/26/638377226.db2.gz XNVWQJGLZVFVCM-HNNXBMFYSA-N 2 1 292.471 3.064 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000924618316 638377231 /nfs/dbraw/zinc/37/72/31/638377231.db2.gz XNVWQJGLZVFVCM-HNNXBMFYSA-N 2 1 292.471 3.064 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924618992 638377876 /nfs/dbraw/zinc/37/78/76/638377876.db2.gz CZBWTPYTYDQGKC-QCLGFWRNSA-N 2 1 294.483 3.187 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C(C)(C)CO ZINC000924658337 638383912 /nfs/dbraw/zinc/38/39/12/638383912.db2.gz PVBYUBVOIHLTJG-HNNXBMFYSA-N 2 1 292.467 3.023 20 0 CGADMP C[C@@H]1CC2(CC([NH2+]CCCC[N@H+]3CCC[C@H](C)C3)C2)CO1 ZINC000924683526 638388311 /nfs/dbraw/zinc/38/83/11/638388311.db2.gz AFKWRQGSOHZYLQ-KNXWPPODSA-N 2 1 294.483 3.046 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000924712598 638393217 /nfs/dbraw/zinc/39/32/17/638393217.db2.gz ITQWZZWZQRALQI-CABCVRRESA-N 2 1 263.429 3.386 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)cn1 ZINC000924723288 638395549 /nfs/dbraw/zinc/39/55/49/638395549.db2.gz KLHRSCLCAIHEJD-USXIJHARSA-N 2 1 294.402 3.020 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000924949263 638429006 /nfs/dbraw/zinc/42/90/06/638429006.db2.gz GPTLCHABVJKZBT-NEPJUHHUSA-N 2 1 291.370 3.023 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000924958745 638430988 /nfs/dbraw/zinc/43/09/88/638430988.db2.gz HHTWKGKQULAEBI-FGTMMUONSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010879 638437356 /nfs/dbraw/zinc/43/73/56/638437356.db2.gz ONRIVMZFPIQOKC-CABCVRRESA-N 2 1 299.418 3.334 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(-c2ccccc2)no1 ZINC000925010879 638437359 /nfs/dbraw/zinc/43/73/59/638437359.db2.gz ONRIVMZFPIQOKC-CABCVRRESA-N 2 1 299.418 3.334 20 0 CGADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925022565 638438464 /nfs/dbraw/zinc/43/84/64/638438464.db2.gz HKCHAEDTWPOUPP-BRWVUGGUSA-N 2 1 296.499 3.028 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@@H]2CCC[C@H]21 ZINC000857080652 638453935 /nfs/dbraw/zinc/45/39/35/638453935.db2.gz KBGASCHNPRYWSW-MROQNXINSA-N 2 1 291.266 3.033 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925706943 638573867 /nfs/dbraw/zinc/57/38/67/638573867.db2.gz PGFNGWAUDIUMJU-JYYAWHABSA-N 2 1 276.399 3.119 20 0 CGADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2sccc2OC)CC1 ZINC000925760799 638601346 /nfs/dbraw/zinc/60/13/46/638601346.db2.gz SEGNWIGCPDXTJZ-NSHDSACASA-N 2 1 268.426 3.021 20 0 CGADMP CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925780997 638611949 /nfs/dbraw/zinc/61/19/49/638611949.db2.gz HAHSUMLHDQKBNJ-DGCLKSJQSA-N 2 1 298.377 3.128 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc2ccccc2[nH]1 ZINC000925805421 638618325 /nfs/dbraw/zinc/61/83/25/638618325.db2.gz IKRJEUUJDNCVAQ-OCCSQVGLSA-N 2 1 280.375 3.030 20 0 CGADMP C[C@@H]1Cc2cc(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)ccc2O1 ZINC000925834018 638627350 /nfs/dbraw/zinc/62/73/50/638627350.db2.gz UMOJLTDQTTUUMG-PJSAGSTRSA-N 2 1 294.398 3.244 20 0 CGADMP Cn1c[nH+]c2cc(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000926095401 638702430 /nfs/dbraw/zinc/70/24/30/638702430.db2.gz MEWWVIKVVUZOGF-PBHICJAKSA-N 2 1 284.407 3.002 20 0 CGADMP Cn1c[nH+]c2cc(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc21 ZINC000926095401 638702436 /nfs/dbraw/zinc/70/24/36/638702436.db2.gz MEWWVIKVVUZOGF-PBHICJAKSA-N 2 1 284.407 3.002 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1(Cl)CC1 ZINC000926119887 638712575 /nfs/dbraw/zinc/71/25/75/638712575.db2.gz RKOAFUYVGCZRLR-BFHYXJOUSA-N 2 1 284.875 3.389 20 0 CGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858490314 638741541 /nfs/dbraw/zinc/74/15/41/638741541.db2.gz GEIAUFOBKFIYIB-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000926348783 638765054 /nfs/dbraw/zinc/76/50/54/638765054.db2.gz GTOLHCVOLLUDNY-ATLSCFEFSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000926348783 638765055 /nfs/dbraw/zinc/76/50/55/638765055.db2.gz GTOLHCVOLLUDNY-ATLSCFEFSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926449050 638772461 /nfs/dbraw/zinc/77/24/61/638772461.db2.gz COJOIPDAPAJMMR-HZPDHXFCSA-N 2 1 291.483 3.128 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926449050 638772462 /nfs/dbraw/zinc/77/24/62/638772462.db2.gz COJOIPDAPAJMMR-HZPDHXFCSA-N 2 1 291.483 3.128 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926460333 638773685 /nfs/dbraw/zinc/77/36/85/638773685.db2.gz YRHHKMRFDUSSMB-FFHGMXDLSA-N 2 1 270.486 3.123 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926460333 638773687 /nfs/dbraw/zinc/77/36/87/638773687.db2.gz YRHHKMRFDUSSMB-FFHGMXDLSA-N 2 1 270.486 3.123 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccnn1C1CCC1 ZINC000926561377 638785479 /nfs/dbraw/zinc/78/54/79/638785479.db2.gz XPHCVQUXJONHSV-CQSZACIVSA-N 2 1 290.455 3.133 20 0 CGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000926771255 638809419 /nfs/dbraw/zinc/80/94/19/638809419.db2.gz NVUPMKNMHLKWKB-FUNVUKJBSA-N 2 1 290.373 3.039 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926807018 638814090 /nfs/dbraw/zinc/81/40/90/638814090.db2.gz JZEAEKPOJJNNAT-PVAVHDDUSA-N 2 1 288.435 3.363 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926807018 638814092 /nfs/dbraw/zinc/81/40/92/638814092.db2.gz JZEAEKPOJJNNAT-PVAVHDDUSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(C[NH+](C)C)c1 ZINC000926869225 638819419 /nfs/dbraw/zinc/81/94/19/638819419.db2.gz QZUVFJIDKACDME-ZDUSSCGKSA-N 2 1 299.418 3.464 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000926897264 638822671 /nfs/dbraw/zinc/82/26/71/638822671.db2.gz HEGCTHZODXBNMS-GZBFAFLISA-N 2 1 264.388 3.267 20 0 CGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926897264 638822673 /nfs/dbraw/zinc/82/26/73/638822673.db2.gz HEGCTHZODXBNMS-GZBFAFLISA-N 2 1 264.388 3.267 20 0 CGADMP CCCC[N@@H+](C[C@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033438 639100622 /nfs/dbraw/zinc/10/06/22/639100622.db2.gz RXALSBADNHSAEI-OAHLLOKOSA-N 2 1 296.499 3.434 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2CC(F)(F)C2)cc1 ZINC000859213361 639111040 /nfs/dbraw/zinc/11/10/40/639111040.db2.gz WGUVKIHNOZIWFV-UHFFFAOYSA-N 2 1 282.378 3.225 20 0 CGADMP C1=C[C@H]([NH+]2CCC([N@@H+]3CCCOCC3)CC2)CCCCC1 ZINC000931288250 639130536 /nfs/dbraw/zinc/13/05/36/639130536.db2.gz ZKISHMZVXBGOOZ-KRWDZBQOSA-N 2 1 292.467 3.062 20 0 CGADMP C1=C[C@H]([NH+]2CCC([N@H+]3CCCOCC3)CC2)CCCCC1 ZINC000931288250 639130537 /nfs/dbraw/zinc/13/05/37/639130537.db2.gz ZKISHMZVXBGOOZ-KRWDZBQOSA-N 2 1 292.467 3.062 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433897 639148413 /nfs/dbraw/zinc/14/84/13/639148413.db2.gz KQYNXTNTURYMGQ-AEGPPILISA-N 2 1 278.827 3.285 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433897 639148418 /nfs/dbraw/zinc/14/84/18/639148418.db2.gz KQYNXTNTURYMGQ-AEGPPILISA-N 2 1 278.827 3.285 20 0 CGADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000931700325 639191487 /nfs/dbraw/zinc/19/14/87/639191487.db2.gz NMWJEMRDHDBECF-MRXNPFEDSA-N 2 1 292.467 3.038 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000932563581 639354229 /nfs/dbraw/zinc/35/42/29/639354229.db2.gz IBSLOSUGZRHOQR-ZFWWWQNUSA-N 2 1 264.388 3.269 20 0 CGADMP Fc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250081237 640810276 /nfs/dbraw/zinc/81/02/76/640810276.db2.gz KEDVSCUZRSIWCG-USXIJHARSA-N 2 1 276.399 3.226 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252512833 640851951 /nfs/dbraw/zinc/85/19/51/640851951.db2.gz ABTWUGGVMTVVPG-SJJHQCBESA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)(C)C1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252512833 640851953 /nfs/dbraw/zinc/85/19/53/640851953.db2.gz ABTWUGGVMTVVPG-SJJHQCBESA-N 2 1 294.483 3.044 20 0 CGADMP CSc1ccnc(NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001156925210 805753110 /nfs/dbraw/zinc/75/31/10/805753110.db2.gz FTVGBLKPGPXJPM-ZDUSSCGKSA-N 2 1 279.453 3.480 20 0 CGADMP CCc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC001158264918 805930592 /nfs/dbraw/zinc/93/05/92/805930592.db2.gz LENZLHNQSAAKFB-CXAGYDPISA-N 2 1 290.455 3.303 20 0 CGADMP Cc1nccn1-c1ccncc1NC(=O)C=C1CCCCC1 ZINC001251862024 805946098 /nfs/dbraw/zinc/94/60/98/805946098.db2.gz HKKCDGRJAJAMML-UHFFFAOYSA-N 2 1 296.374 3.405 20 0 CGADMP COc1cc(NC(C)(C)CC[NH+](C)C)[nH+]c2ccccc21 ZINC001158760985 805999576 /nfs/dbraw/zinc/99/95/76/805999576.db2.gz UGECNIOLKXNMQE-UHFFFAOYSA-N 2 1 287.407 3.386 20 0 CGADMP Cc1ccc2c(C)cc(NCC3C[NH+](C)C3)[nH+]c2c1C ZINC001159222200 806060995 /nfs/dbraw/zinc/06/09/95/806060995.db2.gz KQFNYUDRHWIZTH-UHFFFAOYSA-N 2 1 269.392 3.134 20 0 CGADMP Cc1ccc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[nH+]c1C ZINC001160468557 806276211 /nfs/dbraw/zinc/27/62/11/806276211.db2.gz CFGQFMOSJSZHCE-QKDCVEJESA-N 2 1 259.397 3.126 20 0 CGADMP CC(C)n1ccc2c1nc[nH+]c2NCc1ccccc1C[NH3+] ZINC001160908679 806318574 /nfs/dbraw/zinc/31/85/74/806318574.db2.gz SBTAFRMVWSRABG-UHFFFAOYSA-N 2 1 295.390 3.083 20 0 CGADMP Cc1cc[nH+]c(NC2CC[NH+](CC(C)(C)C)CC2)c1 ZINC001161206076 806358839 /nfs/dbraw/zinc/35/88/39/806358839.db2.gz KTOOUQRPDALBCR-UHFFFAOYSA-N 2 1 261.413 3.312 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC001254185159 806360447 /nfs/dbraw/zinc/36/04/47/806360447.db2.gz WDLMSBUEQKNFBR-BRWVUGGUSA-N 2 1 296.499 3.148 20 0 CGADMP CC[NH+](CC)C1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254220587 806368949 /nfs/dbraw/zinc/36/89/49/806368949.db2.gz HYAFARVORSKSNR-UHFFFAOYSA-N 2 1 274.399 3.371 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCCOC2)CC1 ZINC001254372771 806387270 /nfs/dbraw/zinc/38/72/70/806387270.db2.gz YVYHADSSWCJUFR-DJIMGWMZSA-N 2 1 280.456 3.070 20 0 CGADMP CCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254501612 806423697 /nfs/dbraw/zinc/42/36/97/806423697.db2.gz WMLUDASGXLMFAK-INIZCTEOSA-N 2 1 276.424 3.049 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@H]1CCC[N@H+](C)CC1 ZINC001254506079 806425821 /nfs/dbraw/zinc/42/58/21/806425821.db2.gz OTLYGLBQOPCPFD-RDJZCZTQSA-N 2 1 287.451 3.079 20 0 CGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254508240 806427134 /nfs/dbraw/zinc/42/71/34/806427134.db2.gz PQNYNYWLFWOQJE-JKSUJKDBSA-N 2 1 260.425 3.438 20 0 CGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1C ZINC001254507128 806427584 /nfs/dbraw/zinc/42/75/84/806427584.db2.gz HCWQZMWKBIPQSX-RDJZCZTQSA-N 2 1 260.425 3.438 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510366 806431065 /nfs/dbraw/zinc/43/10/65/806431065.db2.gz NQRZLXVGZXKFTE-BRWVUGGUSA-N 3 1 295.515 3.089 20 0 CGADMP C[NH+]1CCC[C@@H]([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510366 806431067 /nfs/dbraw/zinc/43/10/67/806431067.db2.gz NQRZLXVGZXKFTE-BRWVUGGUSA-N 3 1 295.515 3.089 20 0 CGADMP C[NH+]1CCC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510366 806431072 /nfs/dbraw/zinc/43/10/72/806431072.db2.gz NQRZLXVGZXKFTE-BRWVUGGUSA-N 3 1 295.515 3.089 20 0 CGADMP CN1CCC[C@@H]([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510366 806431075 /nfs/dbraw/zinc/43/10/75/806431075.db2.gz NQRZLXVGZXKFTE-BRWVUGGUSA-N 2 1 295.515 3.089 20 0 CGADMP CN1CCC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254510366 806431080 /nfs/dbraw/zinc/43/10/80/806431080.db2.gz NQRZLXVGZXKFTE-BRWVUGGUSA-N 2 1 295.515 3.089 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001254513533 806435192 /nfs/dbraw/zinc/43/51/92/806435192.db2.gz DAHCDZAUJJTGDZ-GUYCJALGSA-N 2 1 294.389 3.416 20 0 CGADMP CCCCC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254519061 806436150 /nfs/dbraw/zinc/43/61/50/806436150.db2.gz GIVMHTDUXUEFGM-INIZCTEOSA-N 2 1 252.446 3.373 20 0 CGADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515577 806437055 /nfs/dbraw/zinc/43/70/55/806437055.db2.gz YRGPWCWCLRUICA-HIFRSBDPSA-N 2 1 294.826 3.238 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515577 806437062 /nfs/dbraw/zinc/43/70/62/806437062.db2.gz YRGPWCWCLRUICA-HIFRSBDPSA-N 2 1 294.826 3.238 20 0 CGADMP COc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254525658 806439361 /nfs/dbraw/zinc/43/93/61/806439361.db2.gz KKEZSKAXRXLJCQ-HUUCEWRRSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525658 806439364 /nfs/dbraw/zinc/43/93/64/806439364.db2.gz KKEZSKAXRXLJCQ-HUUCEWRRSA-N 2 1 276.424 3.172 20 0 CGADMP COc1ccccc1[C@@H](C)[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525658 806439370 /nfs/dbraw/zinc/43/93/70/806439370.db2.gz KKEZSKAXRXLJCQ-HUUCEWRRSA-N 2 1 276.424 3.172 20 0 CGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001255142377 806553238 /nfs/dbraw/zinc/55/32/38/806553238.db2.gz PZYASPJMQRXISA-QZKQXFQVSA-N 2 1 282.431 3.134 20 0 CGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001255142377 806553241 /nfs/dbraw/zinc/55/32/41/806553241.db2.gz PZYASPJMQRXISA-QZKQXFQVSA-N 2 1 282.431 3.134 20 0 CGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001255142377 806553244 /nfs/dbraw/zinc/55/32/44/806553244.db2.gz PZYASPJMQRXISA-QZKQXFQVSA-N 2 1 282.431 3.134 20 0 CGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(C2CC2)c[nH+]1 ZINC001162468541 806592710 /nfs/dbraw/zinc/59/27/10/806592710.db2.gz ZPSSRTVBMKCYJK-JSGCOSHPSA-N 2 1 259.397 3.007 20 0 CGADMP CCCC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001255327086 806612818 /nfs/dbraw/zinc/61/28/18/806612818.db2.gz XMMLTPFEIQAFPO-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001255327086 806612823 /nfs/dbraw/zinc/61/28/23/806612823.db2.gz XMMLTPFEIQAFPO-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001255327086 806612830 /nfs/dbraw/zinc/61/28/30/806612830.db2.gz XMMLTPFEIQAFPO-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP CCCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001255327086 806612834 /nfs/dbraw/zinc/61/28/34/806612834.db2.gz XMMLTPFEIQAFPO-MSOLQXFVSA-N 2 1 296.499 3.388 20 0 CGADMP Cc1cc[nH+]c2cc(NC[C@@]3(F)CCCC[NH2+]C3)ccc12 ZINC001162583454 806623577 /nfs/dbraw/zinc/62/35/77/806623577.db2.gz OQZUKHMRPYTODH-QGZVFWFLSA-N 2 1 287.382 3.437 20 0 CGADMP CCOCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255378827 806629166 /nfs/dbraw/zinc/62/91/66/806629166.db2.gz PNWVPBHBJCGGTE-SFHVURJKSA-N 2 1 290.451 3.057 20 0 CGADMP F[C@H]1C[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255386676 806629848 /nfs/dbraw/zinc/62/98/48/806629848.db2.gz PGXQVBUZLSGILI-KZNAEPCWSA-N 2 1 290.426 3.379 20 0 CGADMP CCSCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383343 806630272 /nfs/dbraw/zinc/63/02/72/806630272.db2.gz HVLJMKRTBVPOCH-QGZVFWFLSA-N 2 1 292.492 3.384 20 0 CGADMP C[N@@H+](C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255399635 806632984 /nfs/dbraw/zinc/63/29/84/806632984.db2.gz WQJFNCIJJTULQT-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+](C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255399635 806632986 /nfs/dbraw/zinc/63/29/86/806632986.db2.gz WQJFNCIJJTULQT-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP C[NH+](C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399635 806632988 /nfs/dbraw/zinc/63/29/88/806632988.db2.gz WQJFNCIJJTULQT-INIZCTEOSA-N 2 1 258.409 3.135 20 0 CGADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3C[C@H]3C3CC3)CC2)cc1 ZINC001255395766 806633015 /nfs/dbraw/zinc/63/30/15/806633015.db2.gz CXOVTEUBAHQGJW-FHWLQOOXSA-N 2 1 284.447 3.429 20 0 CGADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399395 806633175 /nfs/dbraw/zinc/63/31/75/806633175.db2.gz REFPQJJBVGICAG-NXHRZFHOSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399395 806633177 /nfs/dbraw/zinc/63/31/77/806633177.db2.gz REFPQJJBVGICAG-NXHRZFHOSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399395 806633180 /nfs/dbraw/zinc/63/31/80/806633180.db2.gz REFPQJJBVGICAG-NXHRZFHOSA-N 2 1 290.426 3.331 20 0 CGADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399395 806633181 /nfs/dbraw/zinc/63/31/81/806633181.db2.gz REFPQJJBVGICAG-NXHRZFHOSA-N 2 1 290.426 3.331 20 0 CGADMP CC[C@@H](COC)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388988 806633086 /nfs/dbraw/zinc/63/30/86/806633086.db2.gz BADGOXNCQAATCS-ZWKOTPCHSA-N 2 1 290.451 3.056 20 0 CGADMP COC[C@H](C)[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255565012 806675695 /nfs/dbraw/zinc/67/56/95/806675695.db2.gz JJNRLDDVBSOKDD-SZMVWBNQSA-N 2 1 290.451 3.102 20 0 CGADMP Cc1ccccc1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662414 806698416 /nfs/dbraw/zinc/69/84/16/806698416.db2.gz KRERWGIJWDZNME-AYHJJNSGSA-N 2 1 272.436 3.142 20 0 CGADMP CC[NH+](CC)C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000066542542 798908777 /nfs/dbraw/zinc/90/87/77/798908777.db2.gz ZGVMVYZTNXLUNE-UHFFFAOYSA-N 2 1 290.451 3.044 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1F ZINC001255667198 806700082 /nfs/dbraw/zinc/70/00/82/806700082.db2.gz FHBGIEILHXGXBH-GOOCMWNKSA-N 2 1 294.389 3.378 20 0 CGADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1F ZINC001255667198 806700089 /nfs/dbraw/zinc/70/00/89/806700089.db2.gz FHBGIEILHXGXBH-GOOCMWNKSA-N 2 1 294.389 3.378 20 0 CGADMP CC[C@@H](C)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255667796 806700444 /nfs/dbraw/zinc/70/04/44/806700444.db2.gz UCGJGUXEKAWOCM-FVPDABNVSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@@H](C)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255667796 806700448 /nfs/dbraw/zinc/70/04/48/806700448.db2.gz UCGJGUXEKAWOCM-FVPDABNVSA-N 2 1 252.446 3.416 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673768 806701317 /nfs/dbraw/zinc/70/13/17/806701317.db2.gz FIIAOVSMGYQDBT-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1cccc(F)c1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673768 806701323 /nfs/dbraw/zinc/70/13/23/806701323.db2.gz FIIAOVSMGYQDBT-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP C[NH+](Cc1cccc(F)c1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673768 806701329 /nfs/dbraw/zinc/70/13/29/806701329.db2.gz FIIAOVSMGYQDBT-SJPCQFCGSA-N 2 1 276.399 3.273 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000083450560 798939637 /nfs/dbraw/zinc/93/96/37/798939637.db2.gz ONWOPLNLDGLVMP-OKILXGFUSA-N 2 1 295.858 3.193 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000083450560 798939640 /nfs/dbraw/zinc/93/96/40/798939640.db2.gz ONWOPLNLDGLVMP-OKILXGFUSA-N 2 1 295.858 3.193 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817628 798946021 /nfs/dbraw/zinc/94/60/21/798946021.db2.gz TYGYDEIORXQADW-CZUORRHYSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCCC2)C1 ZINC000127772964 799014765 /nfs/dbraw/zinc/01/47/65/799014765.db2.gz OOGORRHMNIAOGY-GASCZTMLSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC000149459002 799052267 /nfs/dbraw/zinc/05/22/67/799052267.db2.gz IDDNCIOHZGMSHR-HZPDHXFCSA-N 2 1 264.388 3.118 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CSc1ccc(F)cc1 ZINC001255734336 806726074 /nfs/dbraw/zinc/72/60/74/806726074.db2.gz WDTDVYJGHNBSFC-GFCCVEGCSA-N 2 1 293.411 3.101 20 0 CGADMP CC(C)C(C[NH2+]C(C)(C)C[NH+]1CCCC1)C(C)C ZINC000308616169 799217812 /nfs/dbraw/zinc/21/78/12/799217812.db2.gz UKDKQMNJIPYTCN-UHFFFAOYSA-N 2 1 254.462 3.379 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC000309743340 799219935 /nfs/dbraw/zinc/21/99/35/799219935.db2.gz WTKMRKSDPYDYIX-WDSOQIARSA-N 2 1 293.414 3.404 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@@H+](CC[NH3+])C(C)C)cc1 ZINC001255748119 806734487 /nfs/dbraw/zinc/73/44/87/806734487.db2.gz BYTPVSSASDROAY-CQSZACIVSA-N 2 1 266.454 3.145 20 0 CGADMP Cc1ccc(SC[C@@H](C)[N@H+](CC[NH3+])C(C)C)cc1 ZINC001255748119 806734492 /nfs/dbraw/zinc/73/44/92/806734492.db2.gz BYTPVSSASDROAY-CQSZACIVSA-N 2 1 266.454 3.145 20 0 CGADMP CCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379642436 799351556 /nfs/dbraw/zinc/35/15/56/799351556.db2.gz DXBUUUUNBJTWPJ-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP CCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379642436 799351561 /nfs/dbraw/zinc/35/15/61/799351561.db2.gz DXBUUUUNBJTWPJ-WMZOPIPTSA-N 2 1 290.451 3.056 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000379630735 799352235 /nfs/dbraw/zinc/35/22/35/799352235.db2.gz QHPXXWKQOSSOEX-INIZCTEOSA-N 2 1 283.419 3.082 20 0 CGADMP C[C@@H](CC[NH2+]Cc1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000379630735 799352241 /nfs/dbraw/zinc/35/22/41/799352241.db2.gz QHPXXWKQOSSOEX-INIZCTEOSA-N 2 1 283.419 3.082 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000381150481 799373661 /nfs/dbraw/zinc/37/36/61/799373661.db2.gz AEZCSPKCIXFGOG-CYBMUJFWSA-N 2 1 266.816 3.209 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000388853403 799456687 /nfs/dbraw/zinc/45/66/87/799456687.db2.gz JDKUJBHVLDWTCX-OAHLLOKOSA-N 2 1 297.446 3.440 20 0 CGADMP Cc1c[nH+]c(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC001163362714 806748285 /nfs/dbraw/zinc/74/82/85/806748285.db2.gz NGUMYCSMNUSJMP-CABCVRRESA-N 2 1 261.413 3.229 20 0 CGADMP Cc1c[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC001163362714 806748288 /nfs/dbraw/zinc/74/82/88/806748288.db2.gz NGUMYCSMNUSJMP-CABCVRRESA-N 2 1 261.413 3.229 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]ccc3[nH]ccc32)[C@@H](C)C1 ZINC001163362935 806748393 /nfs/dbraw/zinc/74/83/93/806748393.db2.gz OTLCKTVFCHPODL-GXTWGEPZSA-N 2 1 272.396 3.094 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC(C)(C)C1 ZINC000389112141 799459816 /nfs/dbraw/zinc/45/98/16/799459816.db2.gz LGVMYMPWVIDDBV-LVQVYYBASA-N 2 1 264.457 3.133 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000401529761 799556087 /nfs/dbraw/zinc/55/60/87/799556087.db2.gz AFGOBJINFPIHSG-RDJZCZTQSA-N 2 1 290.527 3.364 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000401529761 799556091 /nfs/dbraw/zinc/55/60/91/799556091.db2.gz AFGOBJINFPIHSG-RDJZCZTQSA-N 2 1 290.527 3.364 20 0 CGADMP CCCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000687961674 799741102 /nfs/dbraw/zinc/74/11/02/799741102.db2.gz HWYPJPRANYBTEJ-UHFFFAOYSA-N 2 1 264.438 3.158 20 0 CGADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000688011229 799742227 /nfs/dbraw/zinc/74/22/27/799742227.db2.gz KOXAWCGOXAQNQF-UHFFFAOYSA-N 2 1 286.444 3.416 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000690736580 799778817 /nfs/dbraw/zinc/77/88/17/799778817.db2.gz AXDGVGFCDRKOCQ-JTQLQIEISA-N 2 1 273.207 3.164 20 0 CGADMP C[C@@H]1CCC[N@H+](Cc2csc(Cl)n2)[C@@H]1CCC[NH3+] ZINC000693441562 799810740 /nfs/dbraw/zinc/81/07/40/799810740.db2.gz NRGHZEOBDKRGAP-ZYHUDNBSSA-N 2 1 287.860 3.136 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2csc(Cl)n2)[C@@H]1CCC[NH3+] ZINC000693441562 799810747 /nfs/dbraw/zinc/81/07/47/799810747.db2.gz NRGHZEOBDKRGAP-ZYHUDNBSSA-N 2 1 287.860 3.136 20 0 CGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693559806 799812028 /nfs/dbraw/zinc/81/20/28/799812028.db2.gz QOOPJPJVTULVHT-UTUOFQBUSA-N 2 1 252.789 3.070 20 0 CGADMP CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000697746220 799848034 /nfs/dbraw/zinc/84/80/34/799848034.db2.gz ACWDAKJWJUCYLY-VXGBXAGGSA-N 2 1 266.351 3.026 20 0 CGADMP c1ccc([C@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000699306189 799858916 /nfs/dbraw/zinc/85/89/16/799858916.db2.gz VNXVXXOWJSAWAF-ASDXVTRWSA-N 2 1 270.420 3.007 20 0 CGADMP C1=C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000700488276 799871357 /nfs/dbraw/zinc/87/13/57/799871357.db2.gz FRPXXIFOFBGYRN-QGZVFWFLSA-N 2 1 270.420 3.002 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C(C)(C)c1cccnc1 ZINC001255941607 806789384 /nfs/dbraw/zinc/78/93/84/806789384.db2.gz UXZHHMPBLVWOOZ-CQSZACIVSA-N 2 1 263.429 3.027 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC001255945432 806791707 /nfs/dbraw/zinc/79/17/07/806791707.db2.gz FQZTZHRNCRQKAJ-BBRMVZONSA-N 2 1 298.858 3.083 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C(C)=O)cc1 ZINC001255946538 806792983 /nfs/dbraw/zinc/79/29/83/806792983.db2.gz ARZLXUHXLSQSAG-AWEZNQCLSA-N 2 1 276.424 3.099 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC(C)(C)C1 ZINC000708311311 799985936 /nfs/dbraw/zinc/98/59/36/799985936.db2.gz OSIJRILALFKWTE-ILXRZTDVSA-N 2 1 252.446 3.275 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000708855739 799997502 /nfs/dbraw/zinc/99/75/02/799997502.db2.gz DHWYZWNKMHKSIC-VNQPRFMTSA-N 2 1 261.413 3.140 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)[C@@H]1CC[NH3+] ZINC000709756509 800016984 /nfs/dbraw/zinc/01/69/84/800016984.db2.gz UZIHMCIWONSPBU-QLFBSQMISA-N 2 1 282.472 3.029 20 0 CGADMP CC(C)(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000709847825 800020090 /nfs/dbraw/zinc/02/00/90/800020090.db2.gz CTXNCEFOSATIHA-GOSISDBHSA-N 2 1 272.436 3.040 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709992910 800025597 /nfs/dbraw/zinc/02/55/97/800025597.db2.gz RELJTSCJGWJTHV-RHSMWYFYSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709992915 800026134 /nfs/dbraw/zinc/02/61/34/800026134.db2.gz RELJTSCJGWJTHV-YOEHRIQHSA-N 2 1 292.854 3.347 20 0 CGADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000710443559 800035163 /nfs/dbraw/zinc/03/51/63/800035163.db2.gz CTQXRABXIGQAHB-CXTNYUCXSA-N 2 1 278.484 3.379 20 0 CGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000710443559 800035167 /nfs/dbraw/zinc/03/51/67/800035167.db2.gz CTQXRABXIGQAHB-CXTNYUCXSA-N 2 1 278.484 3.379 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])Cc1cccnc1C(F)(F)F ZINC000710832023 800041082 /nfs/dbraw/zinc/04/10/82/800041082.db2.gz GESMVTYOKLERTN-UHFFFAOYSA-N 2 1 289.345 3.051 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC(F)(F)CC1 ZINC001255956075 806798697 /nfs/dbraw/zinc/79/86/97/806798697.db2.gz GQXNGXGHTDUCLN-ZDUSSCGKSA-N 2 1 262.388 3.228 20 0 CGADMP C[N@H+](CCC[NH3+])Cc1ccc(Cl)cc1C(F)(F)F ZINC000712568032 800093765 /nfs/dbraw/zinc/09/37/65/800093765.db2.gz BCGBEFSSUATSNS-UHFFFAOYSA-N 2 1 280.721 3.139 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)cc1C(F)(F)F ZINC000712568032 800093772 /nfs/dbraw/zinc/09/37/72/800093772.db2.gz BCGBEFSSUATSNS-UHFFFAOYSA-N 2 1 280.721 3.139 20 0 CGADMP COc1cccc([C@@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256073854 806813470 /nfs/dbraw/zinc/81/34/70/806813470.db2.gz GCQKARYXAAIMRI-AWEZNQCLSA-N 2 1 288.435 3.015 20 0 CGADMP C[N@@H+]([C@H]1CCc2ccccc21)C1CCN(C2CC2)CC1 ZINC001256082906 806816208 /nfs/dbraw/zinc/81/62/08/806816208.db2.gz NCBRDXYYUGCRSV-SFHVURJKSA-N 2 1 270.420 3.233 20 0 CGADMP C[N@H+]([C@H]1CCc2ccccc21)C1CC[NH+](C2CC2)CC1 ZINC001256082906 806816215 /nfs/dbraw/zinc/81/62/15/806816215.db2.gz NCBRDXYYUGCRSV-SFHVURJKSA-N 2 1 270.420 3.233 20 0 CGADMP C[N@@H+]([C@H]1CCc2ccccc21)C1CC[NH+](C2CC2)CC1 ZINC001256082906 806816222 /nfs/dbraw/zinc/81/62/22/806816222.db2.gz NCBRDXYYUGCRSV-SFHVURJKSA-N 2 1 270.420 3.233 20 0 CGADMP CC[C@H](CC1CCCCC1)[NH2+]CCc1c[nH+]cn1C ZINC000720983569 800275394 /nfs/dbraw/zinc/27/53/94/800275394.db2.gz FQIRQPMDIUQWOV-OAHLLOKOSA-N 2 1 263.429 3.301 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000723701577 800338509 /nfs/dbraw/zinc/33/85/09/800338509.db2.gz OEQLZTCAXUSJCQ-JTQLQIEISA-N 2 1 290.304 3.015 20 0 CGADMP C[C@H](CCc1ccc(Br)cc1)[NH2+]C(C)(C)C[NH3+] ZINC001256212318 806852453 /nfs/dbraw/zinc/85/24/53/806852453.db2.gz BMGCEKYQCOKOLQ-LLVKDONJSA-N 2 1 299.256 3.097 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCn2cccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256524078 806909034 /nfs/dbraw/zinc/90/90/34/806909034.db2.gz UWDSSDLIRHDQJZ-IEBWSBKVSA-N 2 1 297.446 3.131 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCn2cccc2)CC[N@H+]1Cc1ccccc1 ZINC001256524078 806909039 /nfs/dbraw/zinc/90/90/39/806909039.db2.gz UWDSSDLIRHDQJZ-IEBWSBKVSA-N 2 1 297.446 3.131 20 0 CGADMP C[C@@H]1C[C@@H](n2cccc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529543 806911149 /nfs/dbraw/zinc/91/11/49/806911149.db2.gz VFCWPHNKTSUBRH-APWZRJJASA-N 2 1 297.446 3.215 20 0 CGADMP CC(C)[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256537837 806913065 /nfs/dbraw/zinc/91/30/65/806913065.db2.gz PEAFFCNSPONPLK-WBVHZDCISA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256537837 806913067 /nfs/dbraw/zinc/91/30/67/806913067.db2.gz PEAFFCNSPONPLK-WBVHZDCISA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256537837 806913069 /nfs/dbraw/zinc/91/30/69/806913069.db2.gz PEAFFCNSPONPLK-WBVHZDCISA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256537837 806913072 /nfs/dbraw/zinc/91/30/72/806913072.db2.gz PEAFFCNSPONPLK-WBVHZDCISA-N 2 1 260.425 3.380 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC3(CCC3)C2)CC1 ZINC001256573601 806918941 /nfs/dbraw/zinc/91/89/41/806918941.db2.gz LACWAGKEYUBFOL-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@@H+](C[C@H]1CC1(C)C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574943 806921297 /nfs/dbraw/zinc/92/12/97/806921297.db2.gz HIIDZQVMUXJYPM-CYBMUJFWSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@](C)(C[NH3+])CC1 ZINC001164248565 806922741 /nfs/dbraw/zinc/92/27/41/806922741.db2.gz VBOMMLSUEIVWRP-GOSISDBHSA-N 2 1 283.419 3.499 20 0 CGADMP c1ccc(C[NH+]2CCC([NH+]3C[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC001256603857 806924331 /nfs/dbraw/zinc/92/43/31/806924331.db2.gz JKOWFGCWAGPBFR-ROUUACIJSA-N 2 1 284.447 3.383 20 0 CGADMP C[C@@H]([NH3+])c1ccc2c(ccn2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256612727 806925984 /nfs/dbraw/zinc/92/59/84/806925984.db2.gz RRAXARVGPUEFGL-AJSFGMTHSA-N 2 1 283.419 3.459 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C(C)(C)c1ccnc(Cl)c1 ZINC001164474313 806951360 /nfs/dbraw/zinc/95/13/60/806951360.db2.gz PAGGYWALSCTJRJ-VXGBXAGGSA-N 2 1 281.831 3.029 20 0 CGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C(C)(C)c1ccnc(Cl)c1 ZINC001164474313 806951366 /nfs/dbraw/zinc/95/13/66/806951366.db2.gz PAGGYWALSCTJRJ-VXGBXAGGSA-N 2 1 281.831 3.029 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1C[C@H](C[NH3+])CC[C@H]1C ZINC001164467263 806951494 /nfs/dbraw/zinc/95/14/94/806951494.db2.gz FWNCREFWIRZUEM-KGLIPLIRSA-N 2 1 269.392 3.107 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC001116288635 802323496 /nfs/dbraw/zinc/32/34/96/802323496.db2.gz LPFVOPUZRYTJSC-STQMWFEESA-N 2 1 252.427 3.131 20 0 CGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC001116288256 802324513 /nfs/dbraw/zinc/32/45/13/802324513.db2.gz GEPBBEXZCZMPPA-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC001116288256 802324522 /nfs/dbraw/zinc/32/45/22/802324522.db2.gz GEPBBEXZCZMPPA-OLZOCXBDSA-N 2 1 282.378 3.347 20 0 CGADMP C(C[NH+]1CC2CCC1CC2)C[N@H+]1CC2CCC1CC2 ZINC001116463262 802357142 /nfs/dbraw/zinc/35/71/42/802357142.db2.gz AZSOXMIHNCCEFC-UHFFFAOYSA-N 2 1 262.441 3.125 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC001118991885 802625616 /nfs/dbraw/zinc/62/56/16/802625616.db2.gz ROSMJOVCLRFIKS-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@H]2C1 ZINC001120071212 802732835 /nfs/dbraw/zinc/73/28/35/802732835.db2.gz GUDHHNYVDYTYTO-OBKDMQGPSA-N 2 1 298.474 3.452 20 0 CGADMP CC(C)([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CC1 ZINC001256894375 807001173 /nfs/dbraw/zinc/00/11/73/807001173.db2.gz HVYHHUAOSXAJNB-CQSZACIVSA-N 2 1 250.430 3.172 20 0 CGADMP CC(C)([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1CC1 ZINC001256894375 807001177 /nfs/dbraw/zinc/00/11/77/807001177.db2.gz HVYHHUAOSXAJNB-CQSZACIVSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001205280510 812928419 /nfs/dbraw/zinc/92/84/19/812928419.db2.gz AYUYIFVJSIGYHR-SFHVURJKSA-N 2 1 283.419 3.181 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206807957 813442965 /nfs/dbraw/zinc/44/29/65/813442965.db2.gz IYJUYVBJYUKDFF-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP CC(C)Oc1cc(F)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206807957 813442970 /nfs/dbraw/zinc/44/29/70/813442970.db2.gz IYJUYVBJYUKDFF-UONOGXRCSA-N 2 1 294.414 3.172 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(C)(C)C ZINC001206809594 813443180 /nfs/dbraw/zinc/44/31/80/813443180.db2.gz LYPDGWDHWUJAIC-GJZGRUSLSA-N 2 1 290.451 3.423 20 0 CGADMP CC(C)c1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206808050 813443961 /nfs/dbraw/zinc/44/39/61/813443961.db2.gz JPYXHVUNNKVBSF-HOCLYGCPSA-N 2 1 260.425 3.369 20 0 CGADMP C[N@H+](Cc1c[nH]c2cccc(F)c12)CC1CC[NH+](C)CC1 ZINC001136984623 803668003 /nfs/dbraw/zinc/66/80/03/803668003.db2.gz OIVATJPOJWPTSZ-UHFFFAOYSA-N 2 1 289.398 3.081 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cncc(Cl)c2)CC1 ZINC001136994209 803668937 /nfs/dbraw/zinc/66/89/37/803668937.db2.gz KSJBODBZHIDFNL-UHFFFAOYSA-N 2 1 295.858 3.287 20 0 CGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC001137319583 803713616 /nfs/dbraw/zinc/71/36/16/803713616.db2.gz FISKIEYRWRZVFK-UHFFFAOYSA-N 2 1 283.419 3.086 20 0 CGADMP C[N@H+](Cc1c[nH]c2ccc(F)cc12)CC1CC[NH+](C)CC1 ZINC001137339926 803719334 /nfs/dbraw/zinc/71/93/34/803719334.db2.gz JRLXRBDSUXRGJZ-UHFFFAOYSA-N 2 1 289.398 3.081 20 0 CGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001137405857 803730202 /nfs/dbraw/zinc/73/02/02/803730202.db2.gz RKBQAXHXXHWRTB-UHFFFAOYSA-N 2 1 298.434 3.013 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc3ccccc3s1)C2 ZINC001137686671 803759719 /nfs/dbraw/zinc/75/97/19/803759719.db2.gz QGBXJBICGPDVTN-RHSMWYFYSA-N 2 1 286.444 3.285 20 0 CGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc3ccccc3s1)C2 ZINC001137686671 803759722 /nfs/dbraw/zinc/75/97/22/803759722.db2.gz QGBXJBICGPDVTN-RHSMWYFYSA-N 2 1 286.444 3.285 20 0 CGADMP CN1CCC([N@@H+](Cc2ccc(F)nc2)C2CCCC2)CC1 ZINC001137743870 803766420 /nfs/dbraw/zinc/76/64/20/803766420.db2.gz DDXLIXKFTWPGJC-UHFFFAOYSA-N 2 1 291.414 3.060 20 0 CGADMP CCCc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)s1 ZINC001138524884 803956642 /nfs/dbraw/zinc/95/66/42/803956642.db2.gz CHDRQEWWDIIYKQ-KGLIPLIRSA-N 2 1 278.465 3.084 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)s1 ZINC001138524884 803956658 /nfs/dbraw/zinc/95/66/58/803956658.db2.gz CHDRQEWWDIIYKQ-KGLIPLIRSA-N 2 1 278.465 3.084 20 0 CGADMP CCCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)s1 ZINC001138524884 803956670 /nfs/dbraw/zinc/95/66/70/803956670.db2.gz CHDRQEWWDIIYKQ-KGLIPLIRSA-N 2 1 278.465 3.084 20 0 CGADMP CC[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC001138543888 803963843 /nfs/dbraw/zinc/96/38/43/803963843.db2.gz YWNVSKNIGYMCFH-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC001138543888 803963846 /nfs/dbraw/zinc/96/38/46/803963846.db2.gz YWNVSKNIGYMCFH-UHFFFAOYSA-N 2 1 257.381 3.411 20 0 CGADMP CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC001138551468 803967047 /nfs/dbraw/zinc/96/70/47/803967047.db2.gz HVIPOGCXSZPOMK-KSSFIOAISA-N 2 1 299.418 3.180 20 0 CGADMP CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC001138551468 803967055 /nfs/dbraw/zinc/96/70/55/803967055.db2.gz HVIPOGCXSZPOMK-KSSFIOAISA-N 2 1 299.418 3.180 20 0 CGADMP CC[N@H+]1CCc2cc(-c3ccc4c[nH+]cn4c3)ccc2C1 ZINC001245898342 804026788 /nfs/dbraw/zinc/02/67/88/804026788.db2.gz PVIFLWRGRVYVLP-UHFFFAOYSA-N 2 1 277.371 3.379 20 0 CGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCCC23CC3)cc1 ZINC001138773097 804035949 /nfs/dbraw/zinc/03/59/49/804035949.db2.gz QTOJBUINUZLLMV-UHFFFAOYSA-N 2 1 288.435 3.146 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246073579 804112335 /nfs/dbraw/zinc/11/23/35/804112335.db2.gz HPGFTEOEEWWWJN-GJZGRUSLSA-N 2 1 282.378 3.221 20 0 CGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246078235 804115640 /nfs/dbraw/zinc/11/56/40/804115640.db2.gz CBFCBOYXSAEEKJ-SVGFKBNWSA-N 2 1 258.409 3.053 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246077237 804115900 /nfs/dbraw/zinc/11/59/00/804115900.db2.gz QYPGZXXFVVKCEE-CABCVRRESA-N 2 1 278.827 3.449 20 0 CGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001246094475 804126544 /nfs/dbraw/zinc/12/65/44/804126544.db2.gz FOQSHRSMUIBHOK-FMKPAKJESA-N 2 1 278.465 3.063 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3C[C@H]4C[NH+](CC)C[C@H]4C3)cc21 ZINC001139119939 804132032 /nfs/dbraw/zinc/13/20/32/804132032.db2.gz GHCCBFAEZJBTSB-HDICACEKSA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2ccc(C[N@@H+]3C[C@H]4C[NH+](CC)C[C@H]4C3)cc21 ZINC001139119939 804132035 /nfs/dbraw/zinc/13/20/35/804132035.db2.gz GHCCBFAEZJBTSB-HDICACEKSA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2ccc(C[NH+]3C[C@H]4C[N@@H+](CC)C[C@H]4C3)cc21 ZINC001139119939 804132041 /nfs/dbraw/zinc/13/20/41/804132041.db2.gz GHCCBFAEZJBTSB-HDICACEKSA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2ccc(C[NH+]3C[C@H]4C[N@H+](CC)C[C@H]4C3)cc21 ZINC001139119939 804132047 /nfs/dbraw/zinc/13/20/47/804132047.db2.gz GHCCBFAEZJBTSB-HDICACEKSA-N 2 1 297.446 3.045 20 0 CGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246103217 804135527 /nfs/dbraw/zinc/13/55/27/804135527.db2.gz GNVCPYNDMJDXMP-FRRDWIJNSA-N 2 1 298.833 3.388 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)[NH2+]C1 ZINC001246107645 804139898 /nfs/dbraw/zinc/13/98/98/804139898.db2.gz STJGINAYMBQOSU-YUELXQCFSA-N 2 1 292.854 3.175 20 0 CGADMP Cc1cccc2[nH]cc(C[NH+]3CCC([NH+](C)C)CC3)c21 ZINC001139191262 804153724 /nfs/dbraw/zinc/15/37/24/804153724.db2.gz MEZXSWCHSGHCLH-UHFFFAOYSA-N 2 1 271.408 3.002 20 0 CGADMP Clc1ccc(CC[NH2+][C@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC001246159343 804175742 /nfs/dbraw/zinc/17/57/42/804175742.db2.gz OHZYTQMZEXRMNN-ZDUSSCGKSA-N 2 1 287.234 3.268 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)C[NH2+]1 ZINC001246171375 804185450 /nfs/dbraw/zinc/18/54/50/804185450.db2.gz AMZZKXBUUUVOFB-DOTOQJQBSA-N 2 1 272.436 3.229 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)C[NH2+]1 ZINC001246180411 804193975 /nfs/dbraw/zinc/19/39/75/804193975.db2.gz QYBJOGJRHCQBNQ-IUODEOHRSA-N 2 1 280.843 3.391 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246181691 804194865 /nfs/dbraw/zinc/19/48/65/804194865.db2.gz ROBXEXNYNZYNPR-SOUVJXGZSA-N 2 1 258.425 3.273 20 0 CGADMP CCCC[C@@H]1C[C@H](NCCC[N@@H+](C)CCCC)CC[NH2+]1 ZINC001246185311 804196398 /nfs/dbraw/zinc/19/63/98/804196398.db2.gz UBZXTCNBCSBXMI-IAGOWNOFSA-N 3 1 283.504 3.009 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246211502 804209742 /nfs/dbraw/zinc/20/97/42/804209742.db2.gz KCUIOQLRWUCTBG-KRWDZBQOSA-N 3 1 283.504 3.010 20 0 CGADMP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246215478 804211950 /nfs/dbraw/zinc/21/19/50/804211950.db2.gz YKRFBWHJPFSGJW-IAGOWNOFSA-N 3 1 283.504 3.009 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CC[NH2+]CC2(F)F)cc1 ZINC001246224137 804218397 /nfs/dbraw/zinc/21/83/97/804218397.db2.gz ZRXCDCGUZDIJPB-GOEBONIOSA-N 2 1 296.405 3.151 20 0 CGADMP CC[C@@H]1CC([NH2+]Cc2ccc(OC)c(F)c2)C[C@@H](CC)[NH2+]1 ZINC001246225711 804220003 /nfs/dbraw/zinc/22/00/03/804220003.db2.gz NOIBAGLHWYVGAN-ZIAGYGMSSA-N 2 1 294.414 3.233 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC[NH2+]1 ZINC001246229046 804221780 /nfs/dbraw/zinc/22/17/80/804221780.db2.gz ZLLFUQJEAMDRMY-BXKDBHETSA-N 2 1 290.304 3.075 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[Si](C)(C)C)CC[NH2+]1 ZINC001246267811 804247278 /nfs/dbraw/zinc/24/72/78/804247278.db2.gz MXOODYNQQFNRQV-HOCLYGCPSA-N 2 1 294.490 3.394 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCC2)CC[NH2+]1 ZINC001246282066 804256010 /nfs/dbraw/zinc/25/60/10/804256010.db2.gz UAZPAGIAPHXYRY-HACGYAERSA-N 2 1 276.399 3.397 20 0 CGADMP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246282216 804256334 /nfs/dbraw/zinc/25/63/34/804256334.db2.gz BBCGAGPARZDQBQ-AXAPSJFSSA-N 2 1 282.378 3.392 20 0 CGADMP CC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001246310631 804273745 /nfs/dbraw/zinc/27/37/45/804273745.db2.gz FILRZOQOVUKIMW-SMDDNHRTSA-N 2 1 299.256 3.097 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246318014 804277765 /nfs/dbraw/zinc/27/77/65/804277765.db2.gz OSAOCWRBLSKBNO-RYUDHWBXSA-N 2 1 287.234 3.178 20 0 CGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246325430 804281952 /nfs/dbraw/zinc/28/19/52/804281952.db2.gz KKSOAQSSMNXYFD-HPBDAGMYSA-N 2 1 272.436 3.300 20 0 CGADMP CC1(C)CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246332603 804288113 /nfs/dbraw/zinc/28/81/13/804288113.db2.gz QJQIZUGBBQAKNY-IXDOHACOSA-N 2 1 272.436 3.300 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001246346260 804295761 /nfs/dbraw/zinc/29/57/61/804295761.db2.gz QZZGIDPHVNXJHK-HOCLYGCPSA-N 2 1 262.441 3.279 20 0 CGADMP [NH3+]CC1([NH2+]C2CCC3(CCCCC3)CC2)CCC1 ZINC001246358349 804303494 /nfs/dbraw/zinc/30/34/94/804303494.db2.gz ZYJRDBZIHWGQDR-UHFFFAOYSA-N 2 1 250.430 3.351 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246361899 804305854 /nfs/dbraw/zinc/30/58/54/804305854.db2.gz JUDQGGHZYAQMES-GIPNMCIBSA-N 2 1 287.234 3.264 20 0 CGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139890793 804317856 /nfs/dbraw/zinc/31/78/56/804317856.db2.gz XMYGWWQPCWFWJP-ZBFHGGJFSA-N 2 1 298.405 3.362 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139890793 804317866 /nfs/dbraw/zinc/31/78/66/804317866.db2.gz XMYGWWQPCWFWJP-ZBFHGGJFSA-N 2 1 298.405 3.362 20 0 CGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139890793 804317877 /nfs/dbraw/zinc/31/78/77/804317877.db2.gz XMYGWWQPCWFWJP-ZBFHGGJFSA-N 2 1 298.405 3.362 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)C[NH2+]1 ZINC001246394670 804320232 /nfs/dbraw/zinc/32/02/32/804320232.db2.gz SVROYXIRZIHSQR-CJNGLKHVSA-N 2 1 276.399 3.021 20 0 CGADMP CCC1([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCC(F)(F)CC1 ZINC001246417367 804325931 /nfs/dbraw/zinc/32/59/31/804325931.db2.gz UTLZGYJIGSMZBG-NEPJUHHUSA-N 2 1 260.372 3.075 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)C[NH2+]1 ZINC001246430650 804329192 /nfs/dbraw/zinc/32/91/92/804329192.db2.gz GSWJFTGQAIBEJV-CJNGLKHVSA-N 2 1 278.415 3.125 20 0 CGADMP Fc1ccccc1CC1([NH2+][C@@H]2CCCC[NH2+]C2)CCC1 ZINC001246433415 804331516 /nfs/dbraw/zinc/33/15/16/804331516.db2.gz JNTIHYXPEQZEOH-OAHLLOKOSA-N 2 1 276.399 3.023 20 0 CGADMP C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)C[NH2+]1 ZINC001246433593 804331710 /nfs/dbraw/zinc/33/17/10/804331710.db2.gz RXWKSDWDWNOFKC-RHSMWYFYSA-N 2 1 290.426 3.269 20 0 CGADMP CCC[C@@]1(C[NH2+][C@H](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246457326 804337153 /nfs/dbraw/zinc/33/71/53/804337153.db2.gz SHVPSRHAWMCDLC-CJNGLKHVSA-N 2 1 280.843 3.393 20 0 CGADMP CCC[C@@]1(C[NH2+][C@@H](C)CSc2ccc(F)cc2)CC[NH2+]1 ZINC001246459777 804340445 /nfs/dbraw/zinc/34/04/45/804340445.db2.gz GQSGYIGMIHFTAJ-BBRMVZONSA-N 2 1 296.455 3.428 20 0 CGADMP CC[C@]1([NH2+][C@H](C)Cc2c(F)cccc2Cl)CC[NH2+]C1 ZINC001246464526 804345058 /nfs/dbraw/zinc/34/50/58/804345058.db2.gz RWSGZPWPBKVVMJ-ABAIWWIYSA-N 2 1 284.806 3.142 20 0 CGADMP CCCC[C@@H](CC)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246484326 804355620 /nfs/dbraw/zinc/35/56/20/804355620.db2.gz WWTVEILWROLOIC-QWHCGFSZSA-N 2 1 262.388 3.180 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]CC2(F)F)C[C@@H]1C ZINC001246485002 804356032 /nfs/dbraw/zinc/35/60/32/804356032.db2.gz GHWRVIVJCWNTMX-RFGFWPKPSA-N 2 1 274.399 3.036 20 0 CGADMP CCCC(CCC)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246483181 804356334 /nfs/dbraw/zinc/35/63/34/804356334.db2.gz SANZTMFZQJLCJX-LBPRGKRZSA-N 2 1 262.388 3.180 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001246495953 804361161 /nfs/dbraw/zinc/36/11/61/804361161.db2.gz MESXLOWBSAHEIO-UHFFFAOYSA-N 2 1 299.503 3.285 20 0 CGADMP CC1(C)C[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC[NH2+]1 ZINC001246500933 804362958 /nfs/dbraw/zinc/36/29/58/804362958.db2.gz QOPNBQQZJSOBTB-LRDDRELGSA-N 2 1 294.389 3.462 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246519324 804371406 /nfs/dbraw/zinc/37/14/06/804371406.db2.gz MFLYKPHUWFVROE-UHFFFAOYSA-N 2 1 272.436 3.429 20 0 CGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246519582 804372915 /nfs/dbraw/zinc/37/29/15/804372915.db2.gz OIBQDSHHNXWGTQ-QZTJIDSGSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CCCCC2)CC[NH2+]1 ZINC001246519814 804373474 /nfs/dbraw/zinc/37/34/74/804373474.db2.gz QFIBINBCUSUJAJ-RDJZCZTQSA-N 2 1 276.399 3.413 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246521149 804377142 /nfs/dbraw/zinc/37/71/42/804377142.db2.gz WRABIGQTPCEQFA-CABCVRRESA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246521141 804377513 /nfs/dbraw/zinc/37/75/13/804377513.db2.gz WPOOYDMCKQFHMS-SCAQPMJSSA-N 2 1 260.425 3.426 20 0 CGADMP Cc1cccc(C[N@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246526679 804380657 /nfs/dbraw/zinc/38/06/57/804380657.db2.gz QRQXGTWRDSBLFH-QGZVFWFLSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246528748 804380833 /nfs/dbraw/zinc/38/08/33/804380833.db2.gz HVSORFLFZYJCCI-BBRMVZONSA-N 2 1 296.480 3.493 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532732 804382843 /nfs/dbraw/zinc/38/28/43/804382843.db2.gz JSMISIJCDJZQHY-DLBZAZTESA-N 2 1 272.436 3.067 20 0 CGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532732 804382852 /nfs/dbraw/zinc/38/28/52/804382852.db2.gz JSMISIJCDJZQHY-DLBZAZTESA-N 2 1 272.436 3.067 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(O)cc2F)CC1 ZINC001140127460 804383454 /nfs/dbraw/zinc/38/34/54/804383454.db2.gz VATGSABWJLGDCY-UHFFFAOYSA-N 2 1 294.414 3.084 20 0 CGADMP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC12CC2 ZINC001246535134 804384192 /nfs/dbraw/zinc/38/41/92/804384192.db2.gz WFDSEDBZGRBODY-BRWVUGGUSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@H]1C[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC12CC2 ZINC001246535134 804384198 /nfs/dbraw/zinc/38/41/98/804384198.db2.gz WFDSEDBZGRBODY-BRWVUGGUSA-N 2 1 270.420 3.136 20 0 CGADMP [NH3+][C@@H]1C[N@@H+](C2CCC3(CCc4ccccc43)CC2)CC12CC2 ZINC001246531770 804384361 /nfs/dbraw/zinc/38/43/61/804384361.db2.gz FNAVXQCWOUUTIY-CUYAVPTFSA-N 2 1 296.458 3.236 20 0 CGADMP [NH3+][C@@H]1C[N@H+](C2CCC3(CCc4ccccc43)CC2)CC12CC2 ZINC001246531770 804384371 /nfs/dbraw/zinc/38/43/71/804384371.db2.gz FNAVXQCWOUUTIY-CUYAVPTFSA-N 2 1 296.458 3.236 20 0 CGADMP C[NH2+]C1CCC([N@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC001246545006 804392442 /nfs/dbraw/zinc/39/24/42/804392442.db2.gz FXQWQWJHAAVCHF-JEYLPNPQSA-N 2 1 258.409 3.136 20 0 CGADMP C[C@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246546269 804396580 /nfs/dbraw/zinc/39/65/80/804396580.db2.gz JLGCBADISLDFQA-QMCVQRASSA-N 2 1 270.420 3.279 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246549930 804400082 /nfs/dbraw/zinc/40/00/82/804400082.db2.gz MKVWBNLMABDUDA-OIISXLGYSA-N 2 1 258.409 3.354 20 0 CGADMP F[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246557185 804405825 /nfs/dbraw/zinc/40/58/25/804405825.db2.gz FTFVXUHSSWWSJH-FGTMMUONSA-N 2 1 290.426 3.174 20 0 CGADMP CCCC1CCC([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246558331 804407892 /nfs/dbraw/zinc/40/78/92/804407892.db2.gz PDESOOQMNIKCSZ-MOKVOYLWSA-N 2 1 274.399 3.261 20 0 CGADMP C[C@H]1CCCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246560308 804409230 /nfs/dbraw/zinc/40/92/30/804409230.db2.gz QMRDPJLGEJJMEF-FHERZECASA-N 2 1 250.430 3.031 20 0 CGADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1)C2 ZINC001246561448 804409848 /nfs/dbraw/zinc/40/98/48/804409848.db2.gz SSJUCLNVROSASF-OLMNPRSZSA-N 2 1 286.463 3.159 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C[C@H]1[NH3+] ZINC001246560453 804410168 /nfs/dbraw/zinc/41/01/68/804410168.db2.gz HBSRRDSXSBGKSQ-VSVYTNTFSA-N 2 1 288.435 3.046 20 0 CGADMP CCC(C)(C)C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)C2)CC1 ZINC001246565862 804413085 /nfs/dbraw/zinc/41/30/85/804413085.db2.gz QKQRXJMGXWGSNK-NEXFUWMNSA-N 2 1 270.436 3.353 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)C2)CC1 ZINC001246565862 804413087 /nfs/dbraw/zinc/41/30/87/804413087.db2.gz QKQRXJMGXWGSNK-NEXFUWMNSA-N 2 1 270.436 3.353 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246564745 804413179 /nfs/dbraw/zinc/41/31/79/804413179.db2.gz ZUQWEOPSEXIHCN-PMPSAXMXSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H]1C[N@H+](C2CCC(Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC001246566082 804413328 /nfs/dbraw/zinc/41/33/28/804413328.db2.gz FDHIWXZMCCGTTB-AGERRDQYSA-N 2 1 272.436 3.067 20 0 CGADMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246564958 804413666 /nfs/dbraw/zinc/41/36/66/804413666.db2.gz XUTLKZMDPBWBSW-WMZOPIPTSA-N 2 1 294.483 3.055 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246565154 804413808 /nfs/dbraw/zinc/41/38/08/804413808.db2.gz OQGAXFABQRQSTH-KBAYOESNSA-N 2 1 274.452 3.457 20 0 CGADMP F[C@@H]1CCCC[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246567115 804415739 /nfs/dbraw/zinc/41/57/39/804415739.db2.gz KUEUQVBPWYZDRD-KURKYZTESA-N 2 1 290.426 3.174 20 0 CGADMP F[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246567115 804415742 /nfs/dbraw/zinc/41/57/42/804415742.db2.gz KUEUQVBPWYZDRD-KURKYZTESA-N 2 1 290.426 3.174 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246571236 804418554 /nfs/dbraw/zinc/41/85/54/804418554.db2.gz LLOSPHXQNUHDQD-UYVKZUBASA-N 2 1 264.457 3.418 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246574374 804420641 /nfs/dbraw/zinc/42/06/41/804420641.db2.gz XYTRBLHNWUFRPR-LTIDMASMSA-N 2 1 276.399 3.084 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1F ZINC001246574374 804420644 /nfs/dbraw/zinc/42/06/44/804420644.db2.gz XYTRBLHNWUFRPR-LTIDMASMSA-N 2 1 276.399 3.084 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CCCC3)CC2)CC[C@H]1F ZINC001246574484 804422080 /nfs/dbraw/zinc/42/20/80/804422080.db2.gz YFEGDZXFYXYDGB-HUUCEWRRSA-N 2 1 268.420 3.251 20 0 CGADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CCCC3)CC2)CC[C@H]1F ZINC001246574484 804422083 /nfs/dbraw/zinc/42/20/83/804422083.db2.gz YFEGDZXFYXYDGB-HUUCEWRRSA-N 2 1 268.420 3.251 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001246577225 804422709 /nfs/dbraw/zinc/42/27/09/804422709.db2.gz NQEDQXWRHKJHNA-QAPCUYQASA-N 2 1 290.426 3.134 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246582581 804425603 /nfs/dbraw/zinc/42/56/03/804425603.db2.gz NZWSCTSEAHTLIQ-OLZOCXBDSA-N 2 1 298.833 3.471 20 0 CGADMP CC1(C)CCC([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246582178 804425736 /nfs/dbraw/zinc/42/57/36/804425736.db2.gz RHIJHRUQFHHQLJ-OAHLLOKOSA-N 2 1 256.409 3.108 20 0 CGADMP CC1(C)CCC([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246582178 804425740 /nfs/dbraw/zinc/42/57/40/804425740.db2.gz RHIJHRUQFHHQLJ-OAHLLOKOSA-N 2 1 256.409 3.108 20 0 CGADMP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246581641 804426427 /nfs/dbraw/zinc/42/64/27/804426427.db2.gz ZNXHMUMKYTVXTQ-CRAIPNDOSA-N 2 1 290.451 3.077 20 0 CGADMP CC(C)OC1CCC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246583325 804428058 /nfs/dbraw/zinc/42/80/58/804428058.db2.gz JOAUZHPWKLRPIN-OFLPRAFFSA-N 2 1 282.472 3.174 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246591201 804433610 /nfs/dbraw/zinc/43/36/10/804433610.db2.gz MVEBIYSEVWHULG-IIYDPXPESA-N 2 1 292.854 3.257 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598481 804436798 /nfs/dbraw/zinc/43/67/98/804436798.db2.gz AIMNYCSQUNEFKH-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598481 804436801 /nfs/dbraw/zinc/43/68/01/804436801.db2.gz AIMNYCSQUNEFKH-ARFHVFGLSA-N 2 1 252.446 3.275 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246596150 804437268 /nfs/dbraw/zinc/43/72/68/804437268.db2.gz PBRHLVNEAOTPGN-QGZVFWFLSA-N 2 1 295.515 3.153 20 0 CGADMP CCC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246600972 804438644 /nfs/dbraw/zinc/43/86/44/804438644.db2.gz FOJOBIMAAFCSOZ-JKSUJKDBSA-N 2 1 252.446 3.421 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001246602681 804440420 /nfs/dbraw/zinc/44/04/20/804440420.db2.gz JBDUAEJLPLABKM-IKGGRYGDSA-N 2 1 264.457 3.421 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246609615 804442511 /nfs/dbraw/zinc/44/25/11/804442511.db2.gz ZVDLGLDTKQVYIB-CRAIPNDOSA-N 2 1 290.426 3.365 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609377 804442803 /nfs/dbraw/zinc/44/28/03/804442803.db2.gz MZZSPEGNJMNSLE-IBGZPJMESA-N 2 1 284.447 3.010 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246608061 804442980 /nfs/dbraw/zinc/44/29/80/804442980.db2.gz VRAJMTUVJDRSFT-JKSUJKDBSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCO1 ZINC001246609769 804444434 /nfs/dbraw/zinc/44/44/34/804444434.db2.gz NNFTZUOSXFQZPV-KSZLIROESA-N 2 1 294.483 3.190 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC(C)(C)C1 ZINC001246613851 804448489 /nfs/dbraw/zinc/44/84/89/804448489.db2.gz RAXNEDXHNBOYIY-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCCC3(CCCC3)C2)CC[NH2+]1 ZINC001246615827 804450577 /nfs/dbraw/zinc/45/05/77/804450577.db2.gz SVLFYWDFVQHZKZ-CVEARBPZSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246615612 804450774 /nfs/dbraw/zinc/45/07/74/804450774.db2.gz CVWVRWLBOJCEEB-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246615612 804450782 /nfs/dbraw/zinc/45/07/82/804450782.db2.gz CVWVRWLBOJCEEB-BBWFWOEESA-N 2 1 282.472 3.046 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246616620 804451892 /nfs/dbraw/zinc/45/18/92/804451892.db2.gz YTBMCHOJESSXGG-IAGOWNOFSA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246616620 804451894 /nfs/dbraw/zinc/45/18/94/804451894.db2.gz YTBMCHOJESSXGG-IAGOWNOFSA-N 2 1 290.838 3.025 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246618646 804453410 /nfs/dbraw/zinc/45/34/10/804453410.db2.gz IHTLULWQRXIAMU-GOEBONIOSA-N 2 1 252.446 3.419 20 0 CGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246618595 804454219 /nfs/dbraw/zinc/45/42/19/804454219.db2.gz HUAIDVPPMAVLSU-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246622028 804455180 /nfs/dbraw/zinc/45/51/80/804455180.db2.gz FTZXBMHOISAEFJ-WCFLWFBJSA-N 2 1 299.245 3.076 20 0 CGADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246622028 804455183 /nfs/dbraw/zinc/45/51/83/804455183.db2.gz FTZXBMHOISAEFJ-WCFLWFBJSA-N 2 1 299.245 3.076 20 0 CGADMP c1ccc2c(c1)CCC([N@H+]1CC[C@@]3(C1)CCCC[NH2+]3)CC2 ZINC001246625728 804457468 /nfs/dbraw/zinc/45/74/68/804457468.db2.gz UFJQAOFBVBSTRO-LJQANCHMSA-N 2 1 284.447 3.152 20 0 CGADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)C1 ZINC001246625022 804457477 /nfs/dbraw/zinc/45/74/77/804457477.db2.gz QSJPGBPGQDKSIT-KBAYOESNSA-N 2 1 284.447 3.254 20 0 CGADMP C1C[C@]2(C[NH2+]1)CCC[N@H+](C1CCCCCCC1)C2 ZINC001246629483 804460939 /nfs/dbraw/zinc/46/09/39/804460939.db2.gz NQYDIXCUATZXKZ-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246632951 804463686 /nfs/dbraw/zinc/46/36/86/804463686.db2.gz IUIMAZOSLREXCK-YJBOKZPZSA-N 2 1 290.426 3.365 20 0 CGADMP CC1CCC([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)CC1 ZINC001246633556 804464397 /nfs/dbraw/zinc/46/43/97/804464397.db2.gz LHSCBYXNMSVXAN-UYSNPLJNSA-N 2 1 250.430 3.173 20 0 CGADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246637591 804465792 /nfs/dbraw/zinc/46/57/92/804465792.db2.gz GUKUAPUMWIEECX-OAHLLOKOSA-N 2 1 250.430 3.197 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246638258 804465878 /nfs/dbraw/zinc/46/58/78/804465878.db2.gz KDHFNRAWGRDWNG-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246638231 804465999 /nfs/dbraw/zinc/46/59/99/804465999.db2.gz JOBFBAHHSDQHGO-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc(C[C@H]2C[C@@H]([NH+]3CCC4(CC4)CC3)CC[NH2+]2)cc1 ZINC001246640015 804467260 /nfs/dbraw/zinc/46/72/60/804467260.db2.gz AIJWJZPYPGGMEM-ROUUACIJSA-N 2 1 284.447 3.226 20 0 CGADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246643788 804470121 /nfs/dbraw/zinc/47/01/21/804470121.db2.gz DAMAVQQWAQUTSJ-ARFHVFGLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246648020 804475233 /nfs/dbraw/zinc/47/52/33/804475233.db2.gz JYRGXANJFQKROF-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246648020 804475238 /nfs/dbraw/zinc/47/52/38/804475238.db2.gz JYRGXANJFQKROF-SJLPKXTDSA-N 2 1 272.436 3.144 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647610 804475813 /nfs/dbraw/zinc/47/58/13/804475813.db2.gz LVXBGKSEOGXUHW-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246647610 804475815 /nfs/dbraw/zinc/47/58/15/804475815.db2.gz LVXBGKSEOGXUHW-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001246649941 804476768 /nfs/dbraw/zinc/47/67/68/804476768.db2.gz RZODZQRIAQCXKV-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CC1(C)CCC([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC1 ZINC001246653036 804478411 /nfs/dbraw/zinc/47/84/11/804478411.db2.gz CECFPFJGCGUBDK-FZMZJTMJSA-N 2 1 290.373 3.039 20 0 CGADMP CC(C)C1CCC([N@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001246651617 804478558 /nfs/dbraw/zinc/47/85/58/804478558.db2.gz WSJBFEIVTRRXEI-GPANFISMSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)COCC[C@@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246650609 804478951 /nfs/dbraw/zinc/47/89/51/804478951.db2.gz AVRVURDGPAVTJH-AEFFLSMTSA-N 2 1 296.499 3.292 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001246660921 804483991 /nfs/dbraw/zinc/48/39/91/804483991.db2.gz QLEGPHZAROLINS-AKHDSKFASA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246665399 804487104 /nfs/dbraw/zinc/48/71/04/804487104.db2.gz ZORFKVIDUITSPB-OTWHNJEPSA-N 2 1 286.463 3.328 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246676256 804491918 /nfs/dbraw/zinc/49/19/18/804491918.db2.gz DAUIKUWZESIWAY-GOEBONIOSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246679049 804494327 /nfs/dbraw/zinc/49/43/27/804494327.db2.gz RGGHUFMZKWOFHK-CYBMUJFWSA-N 2 1 296.455 3.238 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC001246684877 804495397 /nfs/dbraw/zinc/49/53/97/804495397.db2.gz XZRILYUIJPVRLY-HUUCEWRRSA-N 2 1 278.465 3.417 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC001246684877 804495399 /nfs/dbraw/zinc/49/53/99/804495399.db2.gz XZRILYUIJPVRLY-HUUCEWRRSA-N 2 1 278.465 3.417 20 0 CGADMP C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246771036 804503501 /nfs/dbraw/zinc/50/35/01/804503501.db2.gz VSDDUGBGJAVUMW-MUJYYYPQSA-N 2 1 278.827 3.445 20 0 CGADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246771783 804503859 /nfs/dbraw/zinc/50/38/59/804503859.db2.gz ZNBCHHKRELNIDQ-QGZVFWFLSA-N 2 1 272.436 3.431 20 0 CGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC001246774245 804503892 /nfs/dbraw/zinc/50/38/92/804503892.db2.gz DVNPEBCOKAGCBZ-SJORKVTESA-N 2 1 290.451 3.308 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC001246773530 804505315 /nfs/dbraw/zinc/50/53/15/804505315.db2.gz AGTCSBQRUGSFEO-ZWKOTPCHSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246780419 804507518 /nfs/dbraw/zinc/50/75/18/804507518.db2.gz VNIQRLBQJGXXMA-PVAVHDDUSA-N 2 1 258.409 3.007 20 0 CGADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246781074 804507946 /nfs/dbraw/zinc/50/79/46/804507946.db2.gz XJKHSTNQARQSAN-IAGOWNOFSA-N 2 1 272.436 3.397 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246782237 804508467 /nfs/dbraw/zinc/50/84/67/804508467.db2.gz QXQXYQILXXTAKA-NEPJUHHUSA-N 2 1 284.806 3.081 20 0 CGADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246782237 804508470 /nfs/dbraw/zinc/50/84/70/804508470.db2.gz QXQXYQILXXTAKA-NEPJUHHUSA-N 2 1 284.806 3.081 20 0 CGADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CCCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246789672 804513755 /nfs/dbraw/zinc/51/37/55/804513755.db2.gz FAUJSJMWIMWBAG-MSOLQXFVSA-N 2 1 284.447 3.398 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3CCCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246789675 804514077 /nfs/dbraw/zinc/51/40/77/804514077.db2.gz FAUJSJMWIMWBAG-ROUUACIJSA-N 2 1 284.447 3.398 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791499 804516128 /nfs/dbraw/zinc/51/61/28/804516128.db2.gz KDLNHUDEINGWEK-CABCVRRESA-N 2 1 252.446 3.133 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+](CC2CC2)C(C)C)CC[NH2+]1 ZINC001246791646 804516318 /nfs/dbraw/zinc/51/63/18/804516318.db2.gz RDCIVINOXLSYNQ-HZPDHXFCSA-N 2 1 252.446 3.418 20 0 CGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246792930 804516358 /nfs/dbraw/zinc/51/63/58/804516358.db2.gz SLILVPNCHOGMKB-RCCFBDPRSA-N 2 1 272.436 3.082 20 0 CGADMP C[N@H+](CC(C)(C)C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246797985 804519382 /nfs/dbraw/zinc/51/93/82/804519382.db2.gz MGDASJNRNXHAEH-HZPDHXFCSA-N 2 1 260.425 3.458 20 0 CGADMP C[N@@H+](CC(C)(C)C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246797985 804519388 /nfs/dbraw/zinc/51/93/88/804519388.db2.gz MGDASJNRNXHAEH-HZPDHXFCSA-N 2 1 260.425 3.458 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246796630 804519735 /nfs/dbraw/zinc/51/97/35/804519735.db2.gz MTEMHTZYDFOTTP-DLBZAZTESA-N 2 1 260.425 3.069 20 0 CGADMP C[N@H+](Cc1cccs1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803530 804524787 /nfs/dbraw/zinc/52/47/87/804524787.db2.gz RKHUZMIMMOZSJX-UHFFFAOYSA-N 2 1 257.362 3.256 20 0 CGADMP C[N@@H+](Cc1cccs1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803530 804524790 /nfs/dbraw/zinc/52/47/90/804524790.db2.gz RKHUZMIMMOZSJX-UHFFFAOYSA-N 2 1 257.362 3.256 20 0 CGADMP C[C@@H]1CC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@H](C)C1 ZINC001246809231 804526342 /nfs/dbraw/zinc/52/63/42/804526342.db2.gz GEPNTBKMGQKDFV-RBSFLKMASA-N 2 1 250.430 3.029 20 0 CGADMP CC[C@@H]1CC([N@H+]2CC[C@H](C)C[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246811836 804528406 /nfs/dbraw/zinc/52/84/06/804528406.db2.gz XTYGRTGBVXUPAP-BYNSBNAKSA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)C[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246811837 804528876 /nfs/dbraw/zinc/52/88/76/804528876.db2.gz XTYGRTGBVXUPAP-DGADGQDISA-N 2 1 252.446 3.416 20 0 CGADMP CC[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246814178 804529818 /nfs/dbraw/zinc/52/98/18/804529818.db2.gz ODWMUTZYKXSNJP-HZPDHXFCSA-N 2 1 280.843 3.345 20 0 CGADMP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246812884 804530470 /nfs/dbraw/zinc/53/04/70/804530470.db2.gz JUVCROWAQOKWEV-ZACQAIPSSA-N 2 1 258.409 3.007 20 0 CGADMP C[NH2+][C@@H]1CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246812884 804530476 /nfs/dbraw/zinc/53/04/76/804530476.db2.gz JUVCROWAQOKWEV-ZACQAIPSSA-N 2 1 258.409 3.007 20 0 CGADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC(Cc2ccccc2)CC1 ZINC001246814838 804531550 /nfs/dbraw/zinc/53/15/50/804531550.db2.gz SLDSUVRJASFQQJ-XBMUEBEBSA-N 2 1 286.463 3.329 20 0 CGADMP c1ccc2c(c1)CCC[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246818167 804533112 /nfs/dbraw/zinc/53/31/12/804533112.db2.gz XMDDBUUYXRKVIC-GOSISDBHSA-N 2 1 284.447 3.357 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cccc(Cl)c2)C[C@H](C)[NH2+]1 ZINC001246823326 804537026 /nfs/dbraw/zinc/53/70/26/804537026.db2.gz NRSBVLLGCXTKBX-YWVIFJGQSA-N 2 1 280.843 3.343 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)CC[NH2+]C)cc1 ZINC001246824080 804537449 /nfs/dbraw/zinc/53/74/49/804537449.db2.gz PIBUGZHQKIGJKN-YOEHRIQHSA-N 2 1 276.424 3.220 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827900 804538561 /nfs/dbraw/zinc/53/85/61/804538561.db2.gz TVVKBUJXGMSBKI-IRXDYDNUSA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827900 804538566 /nfs/dbraw/zinc/53/85/66/804538566.db2.gz TVVKBUJXGMSBKI-IRXDYDNUSA-N 2 1 290.426 3.351 20 0 CGADMP CCCC[C@H](CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835300 804543976 /nfs/dbraw/zinc/54/39/76/804543976.db2.gz IOVCNLHDYPLFFQ-HNNXBMFYSA-N 2 1 270.461 3.046 20 0 CGADMP CC[N@@H+](Cc1cccc(Br)c1)[C@@H](C)CC[NH2+]C ZINC001246838718 804546085 /nfs/dbraw/zinc/54/60/85/804546085.db2.gz FGJFDPLMCRDTRI-LBPRGKRZSA-N 2 1 299.256 3.269 20 0 CGADMP CCCC(CCC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246838687 804546447 /nfs/dbraw/zinc/54/64/47/804546447.db2.gz ZXHRHXDUIYEKDZ-UHFFFAOYSA-N 2 1 270.461 3.046 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246842318 804550648 /nfs/dbraw/zinc/55/06/48/804550648.db2.gz YLLPSAPPGLNSEF-FUHWJXTLSA-N 2 1 290.451 3.294 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246841253 804550684 /nfs/dbraw/zinc/55/06/84/804550684.db2.gz NLQZIFOKFRMGLD-ZFWWWQNUSA-N 2 1 292.854 3.129 20 0 CGADMP CC[C@@H]1CCC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246848813 804557802 /nfs/dbraw/zinc/55/78/02/804557802.db2.gz OILUNXLMEFVVJJ-PMPSAXMXSA-N 2 1 250.430 3.031 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001246852616 804561938 /nfs/dbraw/zinc/56/19/38/804561938.db2.gz RHYHKNZSZAZIFW-BBRMVZONSA-N 2 1 296.842 3.181 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC001246859927 804565475 /nfs/dbraw/zinc/56/54/75/804565475.db2.gz MTCYMLJVZHWQCT-WBVHZDCISA-N 2 1 258.409 3.182 20 0 CGADMP C[C@H](CC1CC1)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246860552 804565915 /nfs/dbraw/zinc/56/59/15/804565915.db2.gz MUDCEVLZSYLKQT-OAHLLOKOSA-N 2 1 284.447 3.312 20 0 CGADMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246864077 804568244 /nfs/dbraw/zinc/56/82/44/804568244.db2.gz NBLCTNQZBOOTLD-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP CC[C@H]1CC([N@@H+]2CCOC3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246865097 804569286 /nfs/dbraw/zinc/56/92/86/804569286.db2.gz WFAOUNOGQYXPRX-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP CC[C@H]1CC([N@H+]2CCOC3(CCCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246865097 804569293 /nfs/dbraw/zinc/56/92/93/804569293.db2.gz WFAOUNOGQYXPRX-HOTGVXAUSA-N 2 1 294.483 3.331 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246865600 804570406 /nfs/dbraw/zinc/57/04/06/804570406.db2.gz ZKWMOYAADAWVTA-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246865600 804570409 /nfs/dbraw/zinc/57/04/09/804570409.db2.gz ZKWMOYAADAWVTA-IAGOWNOFSA-N 2 1 294.483 3.332 20 0 CGADMP CC[C@H]1C[C@@H]([N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC001246870525 804572185 /nfs/dbraw/zinc/57/21/85/804572185.db2.gz LSBIIWXDVDGDPS-HOTGVXAUSA-N 2 1 272.436 3.310 20 0 CGADMP CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246877207 804574373 /nfs/dbraw/zinc/57/43/73/804574373.db2.gz FEKRPDWSSZMCAM-MIFYACCESA-N 2 1 276.424 3.046 20 0 CGADMP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246889451 804583542 /nfs/dbraw/zinc/58/35/42/804583542.db2.gz QHNUORHXIJJFNS-QYZOEREBSA-N 2 1 286.463 3.470 20 0 CGADMP C[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)Cc1ccccc1 ZINC001246896029 804584984 /nfs/dbraw/zinc/58/49/84/804584984.db2.gz ZQFVHPBPZDHUIK-SJPCQFCGSA-N 2 1 272.436 3.223 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001246907507 804591628 /nfs/dbraw/zinc/59/16/28/804591628.db2.gz AEZYYXJJBFBYOC-ABHNRTSZSA-N 2 1 290.426 3.145 20 0 CGADMP C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246909373 804593009 /nfs/dbraw/zinc/59/30/09/804593009.db2.gz PTBXPXLAOHGORE-PBHICJAKSA-N 2 1 294.389 3.319 20 0 CGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246909914 804593638 /nfs/dbraw/zinc/59/36/38/804593638.db2.gz SDSQEUDNOITEBF-RDJZCZTQSA-N 2 1 260.425 3.266 20 0 CGADMP Cc1ccc(CC[C@H](C)[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001246912367 804595080 /nfs/dbraw/zinc/59/50/80/804595080.db2.gz RYIXOMCXCSCWQP-INIZCTEOSA-N 2 1 274.452 3.390 20 0 CGADMP C[N@@H+](CCc1ccccc1F)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246912832 804596079 /nfs/dbraw/zinc/59/60/79/804596079.db2.gz TWJZGWLHFACRKI-RDJZCZTQSA-N 2 1 292.442 3.467 20 0 CGADMP C[C@@H](CC1CC1)[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246916395 804598940 /nfs/dbraw/zinc/59/89/40/804598940.db2.gz RWHPOUCHQFIWGQ-HNNXBMFYSA-N 2 1 272.436 3.429 20 0 CGADMP CCCCC[C@H](CC)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246929776 804605293 /nfs/dbraw/zinc/60/52/93/804605293.db2.gz QIVCYXZUFLIHJN-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP CCCCC[C@H](CC)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246929776 804605297 /nfs/dbraw/zinc/60/52/97/804605297.db2.gz QIVCYXZUFLIHJN-HOTGVXAUSA-N 2 1 270.461 3.046 20 0 CGADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246930342 804605321 /nfs/dbraw/zinc/60/53/21/804605321.db2.gz IXIYKZBFOKRJNC-LUKYLMHMSA-N 2 1 266.473 3.379 20 0 CGADMP CC(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC001246931966 804606815 /nfs/dbraw/zinc/60/68/15/804606815.db2.gz GDVXFBOMZHMUFI-NWINJMCUSA-N 2 1 292.389 3.413 20 0 CGADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CCCC1)C1CCSCC1 ZINC001246931393 804607288 /nfs/dbraw/zinc/60/72/88/804607288.db2.gz BBQJVOBRICSOSK-CQSZACIVSA-N 2 1 282.497 3.126 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCCC3(CCC3)C2)CC[NH2+]1 ZINC001246940033 804610886 /nfs/dbraw/zinc/61/08/86/804610886.db2.gz ICJVSNBRVXBTMH-GJZGRUSLSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001246944021 804611792 /nfs/dbraw/zinc/61/17/92/804611792.db2.gz OQONXBNKYJTGLU-RDGPPVDQSA-N 2 1 284.447 3.438 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946097 804614501 /nfs/dbraw/zinc/61/45/01/804614501.db2.gz FLZVGAQSWFEJOU-JWFUOXDNSA-N 2 1 299.245 3.074 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946097 804614502 /nfs/dbraw/zinc/61/45/02/804614502.db2.gz FLZVGAQSWFEJOU-JWFUOXDNSA-N 2 1 299.245 3.074 20 0 CGADMP Cc1cc(Cl)ccc1CN(C)C1CC[NH+](C)CC1 ZINC001141229742 804616271 /nfs/dbraw/zinc/61/62/71/804616271.db2.gz KBNVXDDMDLHPCA-UHFFFAOYSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1cc(Cl)ccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001141229742 804616275 /nfs/dbraw/zinc/61/62/75/804616275.db2.gz KBNVXDDMDLHPCA-UHFFFAOYSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1cc(Cl)ccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001141229742 804616280 /nfs/dbraw/zinc/61/62/80/804616280.db2.gz KBNVXDDMDLHPCA-UHFFFAOYSA-N 2 1 266.816 3.174 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001246964236 804619407 /nfs/dbraw/zinc/61/94/07/804619407.db2.gz BXKXUSOBZOWSIJ-HOCLYGCPSA-N 2 1 278.465 3.146 20 0 CGADMP CCC[N@H+](Cc1cccc(-n2ccnc2)c1)CC1CC1 ZINC001141237104 804621350 /nfs/dbraw/zinc/62/13/50/804621350.db2.gz MIYPQMIMENXHGP-UHFFFAOYSA-N 2 1 269.392 3.494 20 0 CGADMP Cc1ccc(C[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246973015 804622169 /nfs/dbraw/zinc/62/21/69/804622169.db2.gz LLQPQESKKPCFKA-AEFFLSMTSA-N 2 1 286.463 3.390 20 0 CGADMP Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246969858 804622840 /nfs/dbraw/zinc/62/28/40/804622840.db2.gz XKRHUHYFSMNUTM-QGZVFWFLSA-N 2 1 270.420 3.028 20 0 CGADMP c1ccc2c(c1)CCC([N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC2 ZINC001246975003 804623593 /nfs/dbraw/zinc/62/35/93/804623593.db2.gz RGYCKSDOPCJLQY-INIZCTEOSA-N 2 1 298.474 3.398 20 0 CGADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CC(C)(C)SC ZINC001246977658 804626139 /nfs/dbraw/zinc/62/61/39/804626139.db2.gz SUNBTTPHFGLMQJ-KGLIPLIRSA-N 2 1 272.502 3.228 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001246981793 804627385 /nfs/dbraw/zinc/62/73/85/804627385.db2.gz XUUUYHBFYCEBGZ-AEFFLSMTSA-N 2 1 274.452 3.329 20 0 CGADMP CCCCCC[C@H](CC)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246982845 804627954 /nfs/dbraw/zinc/62/79/54/804627954.db2.gz CHIGYJUWXALHDS-KRWDZBQOSA-N 2 1 297.531 3.351 20 0 CGADMP CCCCCC[C@H](CC)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246982845 804627956 /nfs/dbraw/zinc/62/79/56/804627956.db2.gz CHIGYJUWXALHDS-KRWDZBQOSA-N 2 1 297.531 3.351 20 0 CGADMP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246998941 804634037 /nfs/dbraw/zinc/63/40/37/804634037.db2.gz ATUWLFAOEMZOKZ-IUIKQTSFSA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246998941 804634042 /nfs/dbraw/zinc/63/40/42/804634042.db2.gz ATUWLFAOEMZOKZ-IUIKQTSFSA-N 2 1 280.362 3.242 20 0 CGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCC3(C2)CCCCC3)CC[NH2+]1 ZINC001247000753 804634306 /nfs/dbraw/zinc/63/43/06/804634306.db2.gz XAKMUGZXSPMZND-JKSUJKDBSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247000752 804634370 /nfs/dbraw/zinc/63/43/70/804634370.db2.gz IKZBUUFGPFRAPR-BLLLJJGKSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247000752 804634375 /nfs/dbraw/zinc/63/43/75/804634375.db2.gz IKZBUUFGPFRAPR-BLLLJJGKSA-N 2 1 298.833 3.471 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015840 804643415 /nfs/dbraw/zinc/64/34/15/804643415.db2.gz QLPHVDJINWWLQY-KMFMINBZSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015840 804643417 /nfs/dbraw/zinc/64/34/17/804643417.db2.gz QLPHVDJINWWLQY-KMFMINBZSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015841 804643723 /nfs/dbraw/zinc/64/37/23/804643723.db2.gz QLPHVDJINWWLQY-UKPHBRMFSA-N 2 1 292.854 3.345 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015841 804643730 /nfs/dbraw/zinc/64/37/30/804643730.db2.gz QLPHVDJINWWLQY-UKPHBRMFSA-N 2 1 292.854 3.345 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1csc(Cl)c1 ZINC001142776045 804769163 /nfs/dbraw/zinc/76/91/63/804769163.db2.gz RMBGLECADFDOFH-UHFFFAOYSA-N 2 1 269.801 3.120 20 0 CGADMP CCN(CCn1ccnc1)Cc1csc(Cl)c1 ZINC001142776045 804769167 /nfs/dbraw/zinc/76/91/67/804769167.db2.gz RMBGLECADFDOFH-UHFFFAOYSA-N 2 1 269.801 3.120 20 0 CGADMP CC[N@@H+](Cc1cccc2c1CCC2)C1CCN(C)CC1 ZINC001249458036 805153843 /nfs/dbraw/zinc/15/38/43/805153843.db2.gz CDGBLFJGBVQQIG-UHFFFAOYSA-N 2 1 272.436 3.091 20 0 CGADMP Cc1cc(Nc2ccc(C[NH+]3CCCC3)cc2)c[nH+]c1N ZINC001249787200 805246180 /nfs/dbraw/zinc/24/61/80/805246180.db2.gz GLIUOCQMXGFXJE-UHFFFAOYSA-N 2 1 282.391 3.312 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](c2ccnc(F)c2)C2CC2)CC1 ZINC001257212456 807062600 /nfs/dbraw/zinc/06/26/00/807062600.db2.gz VTMIPQHAERQRTC-KRWDZBQOSA-N 2 1 291.414 3.134 20 0 CGADMP CC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001257439700 807156683 /nfs/dbraw/zinc/15/66/83/807156683.db2.gz KODYVPNHSBLVOU-SZMVWBNQSA-N 2 1 272.436 3.157 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CC(C)(C)C ZINC001167457923 807194649 /nfs/dbraw/zinc/19/46/49/807194649.db2.gz NQFATXHINJAZNH-HOTGVXAUSA-N 2 1 266.473 3.476 20 0 CGADMP [NH3+]CCc1c[nH+]cn1C1CCC(OCc2ccccc2)CC1 ZINC001257816578 807222413 /nfs/dbraw/zinc/22/24/13/807222413.db2.gz KIJRLJOXUKZJSV-UHFFFAOYSA-N 2 1 299.418 3.085 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167753210 807242156 /nfs/dbraw/zinc/24/21/56/807242156.db2.gz MNGHXDAOOIVFEQ-HNNXBMFYSA-N 2 1 290.455 3.132 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167753210 807242162 /nfs/dbraw/zinc/24/21/62/807242162.db2.gz MNGHXDAOOIVFEQ-HNNXBMFYSA-N 2 1 290.455 3.132 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001167824660 807255986 /nfs/dbraw/zinc/25/59/86/807255986.db2.gz DOEIGIRPNPNCGE-QWHCGFSZSA-N 2 1 280.378 3.381 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([NH+](CC)CC)CC1 ZINC001167826518 807256451 /nfs/dbraw/zinc/25/64/51/807256451.db2.gz PLWKXBDHIVMAIV-QGZVFWFLSA-N 2 1 297.531 3.303 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2cccc2[C@@H]1C ZINC001167833517 807257823 /nfs/dbraw/zinc/25/78/23/807257823.db2.gz BZSNQZFXMIARBU-HOTGVXAUSA-N 2 1 277.456 3.375 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)C[C@H]2CC2(C)C)CC1 ZINC001258016911 807267128 /nfs/dbraw/zinc/26/71/28/807267128.db2.gz NRWZONOYWNRQLC-CQSZACIVSA-N 2 1 252.446 3.085 20 0 CGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167897928 807270208 /nfs/dbraw/zinc/27/02/08/807270208.db2.gz OPGPFKKJPMBOKQ-MUJYYYPQSA-N 2 1 252.446 3.277 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167908495 807271108 /nfs/dbraw/zinc/27/11/08/807271108.db2.gz FSTWVSAHPGNUAW-DZFIZOCASA-N 2 1 284.447 3.082 20 0 CGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167940379 807278940 /nfs/dbraw/zinc/27/89/40/807278940.db2.gz XJJHSQWXKWITCP-USYVTKNRSA-N 2 1 296.458 3.157 20 0 CGADMP CC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959833 807286613 /nfs/dbraw/zinc/28/66/13/807286613.db2.gz SRDIUJKHLMHDQP-WWTUQBGBSA-N 2 1 250.430 3.028 20 0 CGADMP c1cnc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167969232 807288346 /nfs/dbraw/zinc/28/83/46/807288346.db2.gz ALJMMVQNPYDQQY-IHBAFOEMSA-N 2 1 297.446 3.064 20 0 CGADMP CC[N@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039269 807302108 /nfs/dbraw/zinc/30/21/08/807302108.db2.gz CPJSNZSFKHLWJE-HUUCEWRRSA-N 2 1 260.425 3.380 20 0 CGADMP CC[N@@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039269 807302115 /nfs/dbraw/zinc/30/21/15/807302115.db2.gz CPJSNZSFKHLWJE-HUUCEWRRSA-N 2 1 260.425 3.380 20 0 CGADMP CC[N@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039267 807302701 /nfs/dbraw/zinc/30/27/01/807302701.db2.gz CPJSNZSFKHLWJE-GJZGRUSLSA-N 2 1 260.425 3.380 20 0 CGADMP CC[N@@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039267 807302711 /nfs/dbraw/zinc/30/27/11/807302711.db2.gz CPJSNZSFKHLWJE-GJZGRUSLSA-N 2 1 260.425 3.380 20 0 CGADMP C[C@@H]1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC001258151513 807322127 /nfs/dbraw/zinc/32/21/27/807322127.db2.gz JGPPXRLKEHKQHM-AMSCCUFHSA-N 2 1 250.430 3.026 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@@H](C)C1 ZINC001258167367 807333721 /nfs/dbraw/zinc/33/37/21/807333721.db2.gz INJGLANUMOXDJN-ZSHCYNCHSA-N 2 1 264.457 3.229 20 0 CGADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)[C@H](C)C1 ZINC001168209576 807349840 /nfs/dbraw/zinc/34/98/40/807349840.db2.gz XQHHXQGJOOTWFZ-KNIAUWFNSA-N 2 1 252.446 3.274 20 0 CGADMP CC1CCC([N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)CC1 ZINC001168211750 807350612 /nfs/dbraw/zinc/35/06/12/807350612.db2.gz IHTNAMOEHBHLJN-AFGAAMFOSA-N 2 1 299.462 3.024 20 0 CGADMP CSCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258199599 807359436 /nfs/dbraw/zinc/35/94/36/807359436.db2.gz IQULGNVUUMMGRZ-NVXWUHKLSA-N 2 1 292.492 3.240 20 0 CGADMP CC[N@@H+](Cc1cccs1)C1CCC([NH+](C)C)CC1 ZINC001168328475 807386089 /nfs/dbraw/zinc/38/60/89/807386089.db2.gz HYPBLBSIMAVYFS-UHFFFAOYSA-N 2 1 266.454 3.443 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)cn1 ZINC001168328218 807386768 /nfs/dbraw/zinc/38/67/68/807386768.db2.gz ZZGTVFLHNAKULZ-DAWZGUTISA-N 2 1 287.451 3.400 20 0 CGADMP C[NH+](C)C1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001168334937 807388078 /nfs/dbraw/zinc/38/80/78/807388078.db2.gz ZZJOGBSMQFKOPG-LEOMRAHMSA-N 2 1 272.436 3.479 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001258278733 807392094 /nfs/dbraw/zinc/39/20/94/807392094.db2.gz ARDDGIGYIPSGNX-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001258278733 807392102 /nfs/dbraw/zinc/39/21/02/807392102.db2.gz ARDDGIGYIPSGNX-DLBZAZTESA-N 2 1 294.483 3.046 20 0 CGADMP Cc1nc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2o1 ZINC001168356402 807392584 /nfs/dbraw/zinc/39/25/84/807392584.db2.gz QXPYSQRAXLSYPG-UHFFFAOYSA-N 2 1 299.418 3.100 20 0 CGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCCC(C)(C)C3)C2)CC1 ZINC001258288169 807397411 /nfs/dbraw/zinc/39/74/11/807397411.db2.gz DZSNRIPDAGTOFN-HNNXBMFYSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168408806 807407703 /nfs/dbraw/zinc/40/77/03/807407703.db2.gz XUFKKEZETPAVBO-SQNIBIBYSA-N 2 1 290.426 3.145 20 0 CGADMP CSC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001258323406 807409433 /nfs/dbraw/zinc/40/94/33/807409433.db2.gz GIAVUUNURKSEKD-LBPRGKRZSA-N 2 1 270.486 3.123 20 0 CGADMP Cc1c2[nH+]c[nH]c2ccc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168549138 807443052 /nfs/dbraw/zinc/44/30/52/807443052.db2.gz KROPSWVIGLUMGH-CYBMUJFWSA-N 2 1 292.386 3.455 20 0 CGADMP C[C@H](CC1CC1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258460960 807463890 /nfs/dbraw/zinc/46/38/90/807463890.db2.gz MJOPWDYDKVGSFW-ZBFHGGJFSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1cccc(N([C@@H](C)CC2CC2)C2CC[NH2+]CC2)[nH+]1 ZINC001258471047 807469489 /nfs/dbraw/zinc/46/94/89/807469489.db2.gz UWPAUOIAGYBHOE-AWEZNQCLSA-N 2 1 273.424 3.137 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001258689710 807546104 /nfs/dbraw/zinc/54/61/04/807546104.db2.gz IVLYNQATKKPGFW-VGWMRTNUSA-N 2 1 294.483 3.172 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258694050 807549354 /nfs/dbraw/zinc/54/93/54/807549354.db2.gz LFENXKIDYPMABJ-UKRRQHHQSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258694050 807549357 /nfs/dbraw/zinc/54/93/57/807549357.db2.gz LFENXKIDYPMABJ-UKRRQHHQSA-N 2 1 252.446 3.227 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3ccccc31)C2 ZINC001169077861 807567785 /nfs/dbraw/zinc/56/77/85/807567785.db2.gz AUPBXWPCZMUDAS-KYHPRHEASA-N 2 1 270.420 3.279 20 0 CGADMP Cc1ccc2c(CC[NH3+])cn([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001169091156 807571385 /nfs/dbraw/zinc/57/13/85/807571385.db2.gz OKOAEMFXHVBDPW-BJWYYQGGSA-N 2 1 297.446 3.249 20 0 CGADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169094974 807573556 /nfs/dbraw/zinc/57/35/56/807573556.db2.gz OEJCQEVKWBJBIY-NNZMDNLPSA-N 2 1 272.436 3.061 20 0 CGADMP CCCC[C@H](CC)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099434 807575459 /nfs/dbraw/zinc/57/54/59/807575459.db2.gz RNRPOTBGWBRQDZ-YHUYYLMFSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1F)C1CC1)C2 ZINC001169107618 807579509 /nfs/dbraw/zinc/57/95/09/807579509.db2.gz IISZUWHOIPUQRV-BASYENTBSA-N 2 1 288.410 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1F)C1CC1)C2 ZINC001169107618 807579515 /nfs/dbraw/zinc/57/95/15/807579515.db2.gz IISZUWHOIPUQRV-BASYENTBSA-N 2 1 288.410 3.492 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C3CC3)c1)C2 ZINC001169112822 807581357 /nfs/dbraw/zinc/58/13/57/807581357.db2.gz TXPNUKDDDXEZKC-BCDXTJNWSA-N 2 1 270.420 3.279 20 0 CGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1cccc(Cl)c1 ZINC001258739367 807584645 /nfs/dbraw/zinc/58/46/45/807584645.db2.gz XSDDMSWHFUMYKE-LLVKDONJSA-N 2 1 277.799 3.150 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001169123657 807584903 /nfs/dbraw/zinc/58/49/03/807584903.db2.gz LXACOYZJQABJKB-ZHCJQAHYSA-N 2 1 290.838 3.411 20 0 CGADMP C[C@@H]([NH3+])c1cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169123675 807585127 /nfs/dbraw/zinc/58/51/27/807585127.db2.gz MBGFVXVXSVAYJT-APIJFGDWSA-N 2 1 283.419 3.459 20 0 CGADMP COc1cccc([C@@H](C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169123414 807585604 /nfs/dbraw/zinc/58/56/04/807585604.db2.gz LAKWCZNJZXVWRP-QSPRXWTASA-N 2 1 288.435 3.014 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+](C)CCC[NH+](C)C ZINC001258745425 807588924 /nfs/dbraw/zinc/58/89/24/807588924.db2.gz NVBMOFPQPJUGAN-ZDUSSCGKSA-N 2 1 268.832 3.155 20 0 CGADMP Cc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169138651 807589271 /nfs/dbraw/zinc/58/92/71/807589271.db2.gz RXXZFQAUNYSLMN-XJKSGUPXSA-N 2 1 261.413 3.346 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258752049 807593955 /nfs/dbraw/zinc/59/39/55/807593955.db2.gz ZQYMDPFYTOCZOY-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258752049 807593961 /nfs/dbraw/zinc/59/39/61/807593961.db2.gz ZQYMDPFYTOCZOY-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258752049 807593964 /nfs/dbraw/zinc/59/39/64/807593964.db2.gz ZQYMDPFYTOCZOY-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258752049 807593972 /nfs/dbraw/zinc/59/39/72/807593972.db2.gz ZQYMDPFYTOCZOY-YOEHRIQHSA-N 2 1 292.854 3.299 20 0 CGADMP CCC[NH+]1CCC([N@H+]2Cc3cccc(C)c3C2)CC1 ZINC001258772085 807604859 /nfs/dbraw/zinc/60/48/59/807604859.db2.gz IQNMFNNGTYRSBF-UHFFFAOYSA-N 2 1 258.409 3.185 20 0 CGADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001258771862 807604915 /nfs/dbraw/zinc/60/49/15/807604915.db2.gz YLJYPMDGMNLLNG-QGZVFWFLSA-N 2 1 273.424 3.093 20 0 CGADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001258771862 807604917 /nfs/dbraw/zinc/60/49/17/807604917.db2.gz YLJYPMDGMNLLNG-QGZVFWFLSA-N 2 1 273.424 3.093 20 0 CGADMP CC[NH+]1CCC([NH2+]C(C)(C)c2ccc(OC)cc2)CC1 ZINC001169230540 807610069 /nfs/dbraw/zinc/61/00/69/807610069.db2.gz DVCRYZGMEJPJHJ-UHFFFAOYSA-N 2 1 276.424 3.004 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001258783373 807610438 /nfs/dbraw/zinc/61/04/38/807610438.db2.gz DKZRTLRGPOXNGD-KBAYOESNSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001258783373 807610441 /nfs/dbraw/zinc/61/04/41/807610441.db2.gz DKZRTLRGPOXNGD-KBAYOESNSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001169233926 807610924 /nfs/dbraw/zinc/61/09/24/807610924.db2.gz YJLMXCHZRQWTIA-QGZVFWFLSA-N 2 1 292.854 3.271 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CC23CCC(F)(F)CC3)CC1 ZINC001169240394 807612753 /nfs/dbraw/zinc/61/27/53/807612753.db2.gz HATQQOHWJWWRNM-CYBMUJFWSA-N 2 1 272.383 3.028 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258789713 807614473 /nfs/dbraw/zinc/61/44/73/807614473.db2.gz DFHYGASUYVKIAI-WCVJEAGWSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258789713 807614476 /nfs/dbraw/zinc/61/44/76/807614476.db2.gz DFHYGASUYVKIAI-WCVJEAGWSA-N 2 1 252.446 3.085 20 0 CGADMP CC[C@@H](C)C[C@H](CC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258789713 807614479 /nfs/dbraw/zinc/61/44/79/807614479.db2.gz DFHYGASUYVKIAI-WCVJEAGWSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001258812503 807630076 /nfs/dbraw/zinc/63/00/76/807630076.db2.gz FMZYHHKMZWZLOX-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001258812503 807630079 /nfs/dbraw/zinc/63/00/79/807630079.db2.gz FMZYHHKMZWZLOX-PVAVHDDUSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258833942 807648261 /nfs/dbraw/zinc/64/82/61/807648261.db2.gz ODXGAHJEXYGJGH-UHFFFAOYSA-N 2 1 254.462 3.473 20 0 CGADMP CC(C)CC(CC(C)C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258833942 807648264 /nfs/dbraw/zinc/64/82/64/807648264.db2.gz ODXGAHJEXYGJGH-UHFFFAOYSA-N 2 1 254.462 3.473 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258839121 807652844 /nfs/dbraw/zinc/65/28/44/807652844.db2.gz QVUKIFQLVANTAI-DLBZAZTESA-N 2 1 260.425 3.082 20 0 CGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](F)CC1 ZINC001258907659 807672376 /nfs/dbraw/zinc/67/23/76/807672376.db2.gz LYSXZQMWZLZMEO-GJZGRUSLSA-N 2 1 258.425 3.321 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001258908177 807672388 /nfs/dbraw/zinc/67/23/88/807672388.db2.gz WPGYWFAOCZJEEA-QZTJIDSGSA-N 3 1 297.531 3.338 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC001170113441 807761721 /nfs/dbraw/zinc/76/17/21/807761721.db2.gz PEWMGOFMURINGS-BFYDXBDKSA-N 2 1 260.425 3.272 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CCO1 ZINC001170191876 807790036 /nfs/dbraw/zinc/79/00/36/807790036.db2.gz BZJVSWYEBSDXGJ-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CCO1 ZINC001170191876 807790039 /nfs/dbraw/zinc/79/00/39/807790039.db2.gz BZJVSWYEBSDXGJ-OKZBNKHCSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001170255674 807805873 /nfs/dbraw/zinc/80/58/73/807805873.db2.gz VHEFGDRKEQZZPH-DZGCQCFKSA-N 2 1 280.843 3.345 20 0 CGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCc2c(Cl)cccc2C1 ZINC001171011383 807960624 /nfs/dbraw/zinc/96/06/24/807960624.db2.gz DCUOLRVXIBEYTL-AWEZNQCLSA-N 2 1 280.843 3.258 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171017200 807961706 /nfs/dbraw/zinc/96/17/06/807961706.db2.gz GQXSOEXTIOKVQP-DZGCQCFKSA-N 2 1 292.854 3.129 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171093166 807981889 /nfs/dbraw/zinc/98/18/89/807981889.db2.gz DLFZSTDXBSNXOM-SUMWQHHRSA-N 2 1 292.854 3.129 20 0 CGADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(C)c(N)[nH+]3)c2c1 ZINC001171167229 807998504 /nfs/dbraw/zinc/99/85/04/807998504.db2.gz PFMKZZHQQDLGPL-ZDUSSCGKSA-N 2 1 294.402 3.114 20 0 CGADMP CCN1CCC([N@@H+](C)[C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571347 808101254 /nfs/dbraw/zinc/10/12/54/808101254.db2.gz WATLUMZXFLEBAM-SFHVURJKSA-N 2 1 286.463 3.268 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571347 808101256 /nfs/dbraw/zinc/10/12/56/808101256.db2.gz WATLUMZXFLEBAM-SFHVURJKSA-N 2 1 286.463 3.268 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571347 808101259 /nfs/dbraw/zinc/10/12/59/808101259.db2.gz WATLUMZXFLEBAM-SFHVURJKSA-N 2 1 286.463 3.268 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)c2cccs2)CC1(C)C ZINC001171622871 808106868 /nfs/dbraw/zinc/10/68/68/808106868.db2.gz AWCUSQASUKMFJQ-CYBMUJFWSA-N 2 1 296.480 3.023 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171625102 808106902 /nfs/dbraw/zinc/10/69/02/808106902.db2.gz BXLADZNBVFKVCZ-GOEBONIOSA-N 3 1 295.515 3.100 20 0 CGADMP C[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171629437 808107381 /nfs/dbraw/zinc/10/73/81/808107381.db2.gz QYQBILMRWRHCKF-ZDUSSCGKSA-N 2 1 252.446 3.370 20 0 CGADMP C[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@]1(C)O ZINC001171632119 808109079 /nfs/dbraw/zinc/10/90/79/808109079.db2.gz VJWJPNNUZIRRBM-KDOFPFPSSA-N 2 1 296.499 3.121 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(C2)CCCOC3)CC1(C)C ZINC001171643894 808110963 /nfs/dbraw/zinc/11/09/63/808110963.db2.gz XIDVVXMPRBHEIL-SFHVURJKSA-N 2 1 294.483 3.140 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171774774 808136016 /nfs/dbraw/zinc/13/60/16/808136016.db2.gz DRIMTUKGTXNBDP-GOEBONIOSA-N 2 1 290.426 3.147 20 0 CGADMP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171961595 808159756 /nfs/dbraw/zinc/15/97/56/808159756.db2.gz AQXKMORWMHTZDO-INIZCTEOSA-N 2 1 260.425 3.428 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102348 808173903 /nfs/dbraw/zinc/17/39/03/808173903.db2.gz MHGJGDFHKDUVLK-NKGKWGDASA-N 2 1 290.426 3.362 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102348 808173907 /nfs/dbraw/zinc/17/39/07/808173907.db2.gz MHGJGDFHKDUVLK-NKGKWGDASA-N 2 1 290.426 3.362 20 0 CGADMP COC1CCC(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172116508 808180654 /nfs/dbraw/zinc/18/06/54/808180654.db2.gz HPBJPCDYVYMTLH-UHQQODTQSA-N 2 1 294.483 3.187 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C2 ZINC001172119244 808181190 /nfs/dbraw/zinc/18/11/90/808181190.db2.gz WVYIFWBUQVGUBK-BJWYYQGGSA-N 2 1 294.389 3.112 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001172120954 808182524 /nfs/dbraw/zinc/18/25/24/808182524.db2.gz AKDFKOBKNMYTQT-ZSYWTGECSA-N 2 1 299.462 3.104 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001172120954 808182527 /nfs/dbraw/zinc/18/25/27/808182527.db2.gz AKDFKOBKNMYTQT-ZSYWTGECSA-N 2 1 299.462 3.104 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001172120954 808182531 /nfs/dbraw/zinc/18/25/31/808182531.db2.gz AKDFKOBKNMYTQT-ZSYWTGECSA-N 2 1 299.462 3.104 20 0 CGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001172120954 808182536 /nfs/dbraw/zinc/18/25/36/808182536.db2.gz AKDFKOBKNMYTQT-ZSYWTGECSA-N 2 1 299.462 3.104 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CCCCC3)C2 ZINC001172128223 808185102 /nfs/dbraw/zinc/18/51/02/808185102.db2.gz PYHNLHUJANLZQT-ZSHCYNCHSA-N 2 1 262.441 3.268 20 0 CGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172183895 808190815 /nfs/dbraw/zinc/19/08/15/808190815.db2.gz HRMTWJVPQGTDIS-INIZCTEOSA-N 2 1 292.492 3.415 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C[C@H]1C ZINC001172376315 808270489 /nfs/dbraw/zinc/27/04/89/808270489.db2.gz ZQGXITIPCDAFQZ-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CCCCCC[C@@H](CCC)[NH2+]CCC[N@@H+](C)CCO ZINC001172386494 808279388 /nfs/dbraw/zinc/27/93/88/808279388.db2.gz FECIPUQEUJGYBG-MRXNPFEDSA-N 2 1 272.477 3.029 20 0 CGADMP c1cn2c([nH+]1)CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172568599 808394312 /nfs/dbraw/zinc/39/43/12/808394312.db2.gz NRPGOBTXRGBFIV-SJORKVTESA-N 2 1 281.403 3.078 20 0 CGADMP c1cn2c([nH+]1)CC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172568599 808394321 /nfs/dbraw/zinc/39/43/21/808394321.db2.gz NRPGOBTXRGBFIV-SJORKVTESA-N 2 1 281.403 3.078 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)Cc1c(F)cccc1Cl ZINC001172845442 808459667 /nfs/dbraw/zinc/45/96/67/808459667.db2.gz LVSRPWNEMWAWMG-GFCCVEGCSA-N 2 1 286.822 3.469 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172881283 808474757 /nfs/dbraw/zinc/47/47/57/808474757.db2.gz ZTMDXWOCLFDXIV-NEPJUHHUSA-N 2 1 286.872 3.347 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C(C)C)[C@@H](C)C2)CC1 ZINC001173115535 808515922 /nfs/dbraw/zinc/51/59/22/808515922.db2.gz DTORUENHCYITMU-AOCRQIFASA-N 2 1 295.515 3.054 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001173239874 808547796 /nfs/dbraw/zinc/54/77/96/808547796.db2.gz LMOHOKDLEVKIPM-IPELMVKDSA-N 2 1 286.463 3.064 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001173255719 808561766 /nfs/dbraw/zinc/56/17/66/808561766.db2.gz MKWQATGPZOHCOW-RCCFBDPRSA-N 2 1 296.499 3.244 20 0 CGADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001173255719 808561772 /nfs/dbraw/zinc/56/17/72/808561772.db2.gz MKWQATGPZOHCOW-RCCFBDPRSA-N 2 1 296.499 3.244 20 0 CGADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001173255719 808561780 /nfs/dbraw/zinc/56/17/80/808561780.db2.gz MKWQATGPZOHCOW-RCCFBDPRSA-N 2 1 296.499 3.244 20 0 CGADMP CCCC[C@H](CC(C)C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001173255719 808561788 /nfs/dbraw/zinc/56/17/88/808561788.db2.gz MKWQATGPZOHCOW-RCCFBDPRSA-N 2 1 296.499 3.244 20 0 CGADMP CCCC[C@H](CC(C)C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001173255719 808561795 /nfs/dbraw/zinc/56/17/95/808561795.db2.gz MKWQATGPZOHCOW-RCCFBDPRSA-N 2 1 296.499 3.244 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001173264456 808569737 /nfs/dbraw/zinc/56/97/37/808569737.db2.gz SYOZACZHKPMCKL-GVRJEKJASA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001173264456 808569743 /nfs/dbraw/zinc/56/97/43/808569743.db2.gz SYOZACZHKPMCKL-GVRJEKJASA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001173275764 808578253 /nfs/dbraw/zinc/57/82/53/808578253.db2.gz SYOZACZHKPMCKL-QCODTGAPSA-N 2 1 250.430 3.170 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001173275764 808578256 /nfs/dbraw/zinc/57/82/56/808578256.db2.gz SYOZACZHKPMCKL-QCODTGAPSA-N 2 1 250.430 3.170 20 0 CGADMP CCSC[C@@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001173311563 808606678 /nfs/dbraw/zinc/60/66/78/808606678.db2.gz MOJJGEDJZHIXAM-OWCLPIDISA-N 2 1 284.513 3.467 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001173311563 808606680 /nfs/dbraw/zinc/60/66/80/808606680.db2.gz MOJJGEDJZHIXAM-OWCLPIDISA-N 2 1 284.513 3.467 20 0 CGADMP CCSC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001173311563 808606682 /nfs/dbraw/zinc/60/66/82/808606682.db2.gz MOJJGEDJZHIXAM-OWCLPIDISA-N 2 1 284.513 3.467 20 0 CGADMP CC[N@@H+]1CC[C@@H](n2ccc([C@@H](C)[NH2+]Cc3ccccc3)n2)C1 ZINC001173371038 808633223 /nfs/dbraw/zinc/63/32/23/808633223.db2.gz KEUSMOZDTOZVLC-NVXWUHKLSA-N 2 1 298.434 3.001 20 0 CGADMP CC[N@H+]1CC[C@@H](n2ccc([C@@H](C)[NH2+]Cc3ccccc3)n2)C1 ZINC001173371038 808633226 /nfs/dbraw/zinc/63/32/26/808633226.db2.gz KEUSMOZDTOZVLC-NVXWUHKLSA-N 2 1 298.434 3.001 20 0 CGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173686974 808663890 /nfs/dbraw/zinc/66/38/90/808663890.db2.gz IDEMALJBTQWRHT-PPDQVPDSSA-N 2 1 298.474 3.355 20 0 CGADMP CC[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001275084796 808907027 /nfs/dbraw/zinc/90/70/27/808907027.db2.gz GNOUQYFYFZPEOM-UHFFFAOYSA-N 2 1 278.362 3.137 20 0 CGADMP CCCN1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001275107920 808910051 /nfs/dbraw/zinc/91/00/51/808910051.db2.gz ISHAEEHPEFWFQA-UHFFFAOYSA-N 2 1 297.446 3.128 20 0 CGADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CCC1)Cc1ccccc12 ZINC001275180072 808919928 /nfs/dbraw/zinc/91/99/28/808919928.db2.gz ASTQVOHLGBBPCI-UHFFFAOYSA-N 2 1 284.447 3.266 20 0 CGADMP c1c[nH]c(C[NH+]2CC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001275240559 808922475 /nfs/dbraw/zinc/92/24/75/808922475.db2.gz XPGJEKUGBKYNNH-UHFFFAOYSA-N 2 1 295.430 3.113 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC001275249695 808923423 /nfs/dbraw/zinc/92/34/23/808923423.db2.gz PSZLIANGTLNTND-UHFFFAOYSA-N 2 1 278.827 3.258 20 0 CGADMP CSc1ccccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276339982 809002483 /nfs/dbraw/zinc/00/24/83/809002483.db2.gz AOBDPLJKWWKVLD-UHFFFAOYSA-N 2 1 290.476 3.326 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1nccc3ccccc31)CC2 ZINC001276610849 809020184 /nfs/dbraw/zinc/02/01/84/809020184.db2.gz VCLRSTRPJSITDJ-UHFFFAOYSA-N 2 1 295.430 3.153 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC001276733871 809026832 /nfs/dbraw/zinc/02/68/32/809026832.db2.gz DCUASZREPSQKGW-UHFFFAOYSA-N 2 1 290.426 3.176 20 0 CGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3ccoc31)C2 ZINC001276788217 809030977 /nfs/dbraw/zinc/03/09/77/809030977.db2.gz BPGUPCWNCNJBCO-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3ccoc31)C2 ZINC001276788217 809030986 /nfs/dbraw/zinc/03/09/86/809030986.db2.gz BPGUPCWNCNJBCO-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3ccoc31)C2 ZINC001276788217 809030993 /nfs/dbraw/zinc/03/09/93/809030993.db2.gz BPGUPCWNCNJBCO-SFHVURJKSA-N 2 1 284.403 3.351 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3ccoc31)C2 ZINC001276788215 809031142 /nfs/dbraw/zinc/03/11/42/809031142.db2.gz BPGUPCWNCNJBCO-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3ccoc31)C2 ZINC001276788215 809031149 /nfs/dbraw/zinc/03/11/49/809031149.db2.gz BPGUPCWNCNJBCO-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3ccoc31)C2 ZINC001276788215 809031154 /nfs/dbraw/zinc/03/11/54/809031154.db2.gz BPGUPCWNCNJBCO-GOSISDBHSA-N 2 1 284.403 3.351 20 0 CGADMP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070273 809259457 /nfs/dbraw/zinc/25/94/57/809259457.db2.gz POUNBWRTZWDSKJ-RYQLBKOJSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070273 809259460 /nfs/dbraw/zinc/25/94/60/809259460.db2.gz POUNBWRTZWDSKJ-RYQLBKOJSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070273 809259465 /nfs/dbraw/zinc/25/94/65/809259465.db2.gz POUNBWRTZWDSKJ-RYQLBKOJSA-N 2 1 272.436 3.330 20 0 CGADMP Cc1ccccc1[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070273 809259468 /nfs/dbraw/zinc/25/94/68/809259468.db2.gz POUNBWRTZWDSKJ-RYQLBKOJSA-N 2 1 272.436 3.330 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](CCOCC(C)C)CC1 ZINC001175759599 809535748 /nfs/dbraw/zinc/53/57/48/809535748.db2.gz XQDVUWPQDAJXIS-UHFFFAOYSA-N 2 1 296.499 3.390 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001177222805 809788376 /nfs/dbraw/zinc/78/83/76/809788376.db2.gz QAOJSDCDBYRZRC-QKPAOTATSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc4ccccc34)[C@@H]2C1 ZINC001179817225 809948745 /nfs/dbraw/zinc/94/87/45/809948745.db2.gz PAHXJTUUAGYUIA-MAZHCROVSA-N 2 1 286.444 3.331 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc4ccccc34)[C@H]2C1 ZINC001179817226 809948772 /nfs/dbraw/zinc/94/87/72/809948772.db2.gz PAHXJTUUAGYUIA-RCBQFDQVSA-N 2 1 286.444 3.331 20 0 CGADMP C[C@H](c1nccc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC001180794419 810022320 /nfs/dbraw/zinc/02/23/20/810022320.db2.gz OLZHIITWIIYVNB-CABCVRRESA-N 2 1 283.419 3.179 20 0 CGADMP CC[NH+](CC)CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccccc1 ZINC001184336554 810193692 /nfs/dbraw/zinc/19/36/92/810193692.db2.gz ARRNHIURTZWEPG-RYRKJORJSA-N 2 1 292.467 3.473 20 0 CGADMP CC[C@H](C)[N@H+]1CCCN(Cc2ccccc2)CCOCC1 ZINC001198140848 811479639 /nfs/dbraw/zinc/47/96/39/811479639.db2.gz OPGQPBYJZQBFNX-KRWDZBQOSA-N 2 1 290.451 3.009 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC001199207959 811563323 /nfs/dbraw/zinc/56/33/23/811563323.db2.gz JUYCXPBJIPBOBX-UHFFFAOYSA-N 2 1 286.366 3.108 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC001199207959 811563327 /nfs/dbraw/zinc/56/33/27/811563327.db2.gz JUYCXPBJIPBOBX-UHFFFAOYSA-N 2 1 286.366 3.108 20 0 CGADMP CCc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC001199218724 811563979 /nfs/dbraw/zinc/56/39/79/811563979.db2.gz GRGYZAKUXZYEOO-AWEZNQCLSA-N 2 1 271.408 3.180 20 0 CGADMP Cc1cn2cc(Nc3cccc(C[NH+](C)C)c3)ccc2[nH+]1 ZINC001201391904 811826110 /nfs/dbraw/zinc/82/61/10/811826110.db2.gz NEFWJKSMRDMGDD-UHFFFAOYSA-N 2 1 280.375 3.448 20 0 CGADMP CC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201442215 811850359 /nfs/dbraw/zinc/85/03/59/811850359.db2.gz UVHSDMXTVUJLOT-ZWKOTPCHSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201442215 811850365 /nfs/dbraw/zinc/85/03/65/811850365.db2.gz UVHSDMXTVUJLOT-ZWKOTPCHSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201442215 811850371 /nfs/dbraw/zinc/85/03/71/811850371.db2.gz UVHSDMXTVUJLOT-ZWKOTPCHSA-N 2 1 286.463 3.486 20 0 CGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201510315 811875117 /nfs/dbraw/zinc/87/51/17/811875117.db2.gz ZPFCLAQXBSGILF-KKUMJFAQSA-N 2 1 293.480 3.085 20 0 CGADMP CCC[C@@H](C)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201544491 811895191 /nfs/dbraw/zinc/89/51/91/811895191.db2.gz XZJNXPXRIWMWAO-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@@H](C)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201544491 811895200 /nfs/dbraw/zinc/89/52/00/811895200.db2.gz XZJNXPXRIWMWAO-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201544491 811895209 /nfs/dbraw/zinc/89/52/09/811895209.db2.gz XZJNXPXRIWMWAO-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP CCC[C@@H](C)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201544491 811895212 /nfs/dbraw/zinc/89/52/12/811895212.db2.gz XZJNXPXRIWMWAO-MSOLQXFVSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)CC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201613963 811921323 /nfs/dbraw/zinc/92/13/23/811921323.db2.gz BBBKHCQOJCNMFZ-GJZGRUSLSA-N 2 1 278.465 3.158 20 0 CGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC001201951311 811982113 /nfs/dbraw/zinc/98/21/13/811982113.db2.gz CCUISLBMRFDBJV-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC001201951311 811982114 /nfs/dbraw/zinc/98/21/14/811982114.db2.gz CCUISLBMRFDBJV-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC001201951311 811982118 /nfs/dbraw/zinc/98/21/18/811982118.db2.gz CCUISLBMRFDBJV-LJQANCHMSA-N 2 1 284.447 3.385 20 0 CGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]3C2)cc1 ZINC001201976776 811988436 /nfs/dbraw/zinc/98/84/36/811988436.db2.gz PEGTULWNAOWXIQ-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CC4)CC[C@@H]3C2)cc1 ZINC001201976776 811988440 /nfs/dbraw/zinc/98/84/40/811988440.db2.gz PEGTULWNAOWXIQ-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CC4)CC[C@@H]3C2)cc1 ZINC001201976776 811988443 /nfs/dbraw/zinc/98/84/43/811988443.db2.gz PEGTULWNAOWXIQ-RTBURBONSA-N 2 1 284.447 3.240 20 0 CGADMP CC(C)(C)CC[N@@H+]1C[C@@H]2C[C@@H](CN(Cc3ccco3)C2)C1 ZINC001202077823 812010805 /nfs/dbraw/zinc/01/08/05/812010805.db2.gz LULDJXQJFXLGQO-IYBDPMFKSA-N 2 1 290.451 3.470 20 0 CGADMP CC(C)(C)CC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001202077823 812010816 /nfs/dbraw/zinc/01/08/16/812010816.db2.gz LULDJXQJFXLGQO-IYBDPMFKSA-N 2 1 290.451 3.470 20 0 CGADMP CC(C)(C)CC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001202077823 812010824 /nfs/dbraw/zinc/01/08/24/812010824.db2.gz LULDJXQJFXLGQO-IYBDPMFKSA-N 2 1 290.451 3.470 20 0 CGADMP CC(C)(C)CC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001202077823 812010834 /nfs/dbraw/zinc/01/08/34/812010834.db2.gz LULDJXQJFXLGQO-IYBDPMFKSA-N 2 1 290.451 3.470 20 0 CGADMP CC(C)(C)CC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001202077823 812010843 /nfs/dbraw/zinc/01/08/43/812010843.db2.gz LULDJXQJFXLGQO-IYBDPMFKSA-N 2 1 290.451 3.470 20 0 CGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2F)CC1 ZINC001203353006 812319171 /nfs/dbraw/zinc/31/91/71/812319171.db2.gz TWJPJSJISKYXEP-UHFFFAOYSA-N 2 1 278.415 3.378 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001204168222 812562558 /nfs/dbraw/zinc/56/25/58/812562558.db2.gz KLNASFTXXMKPNR-QZTJIDSGSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)c1ccc(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001204168222 812562564 /nfs/dbraw/zinc/56/25/64/812562564.db2.gz KLNASFTXXMKPNR-QZTJIDSGSA-N 2 1 272.436 3.336 20 0 CGADMP CC(C)c1ccc(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001204168222 812562572 /nfs/dbraw/zinc/56/25/72/812562572.db2.gz KLNASFTXXMKPNR-QZTJIDSGSA-N 2 1 272.436 3.336 20 0 CGADMP CC[C@@H](C)[N@@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204264071 812592523 /nfs/dbraw/zinc/59/25/23/812592523.db2.gz RCPXNHYJJXPPQL-OAHLLOKOSA-N 2 1 278.440 3.247 20 0 CGADMP C[C@H](c1nccc2ccccc21)[NH+]1CCC([NH+](C)C)CC1 ZINC001204411705 812632096 /nfs/dbraw/zinc/63/20/96/812632096.db2.gz QFJKJBSITREROW-CQSZACIVSA-N 2 1 283.419 3.322 20 0 CGADMP CCCCC[N@@H+](C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001204621990 812692447 /nfs/dbraw/zinc/69/24/47/812692447.db2.gz UWCKYKOQMXIBOS-UHFFFAOYSA-N 2 1 252.427 3.016 20 0 CGADMP Fc1ccc(-c2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)cc1 ZINC001204661001 812703523 /nfs/dbraw/zinc/70/35/23/812703523.db2.gz RYVTYMKSTUTBAL-UHFFFAOYSA-N 2 1 284.378 3.288 20 0 CGADMP Fc1ccc(-c2cccc(C[N@H+]3CCC[NH2+]CC3)c2)cc1 ZINC001204661001 812703528 /nfs/dbraw/zinc/70/35/28/812703528.db2.gz RYVTYMKSTUTBAL-UHFFFAOYSA-N 2 1 284.378 3.288 20 0 CGADMP Nc1[nH]c(C[NH+]2CCC(CCCc3ccccc3)CC2)c[nH+]1 ZINC001204885610 812763704 /nfs/dbraw/zinc/76/37/04/812763704.db2.gz ZTFPUEJVWMIDCA-UHFFFAOYSA-N 2 1 298.434 3.227 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1CC ZINC001205009306 812823227 /nfs/dbraw/zinc/82/32/27/812823227.db2.gz NDUVCEMSKSFYAS-INIZCTEOSA-N 2 1 290.451 3.079 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1CC ZINC001205009306 812823234 /nfs/dbraw/zinc/82/32/34/812823234.db2.gz NDUVCEMSKSFYAS-INIZCTEOSA-N 2 1 290.451 3.079 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001205009187 812823923 /nfs/dbraw/zinc/82/39/23/812823923.db2.gz ITTSXAOFBFXAAB-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001205009187 812823930 /nfs/dbraw/zinc/82/39/30/812823930.db2.gz ITTSXAOFBFXAAB-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP CCCCOc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205102160 812866999 /nfs/dbraw/zinc/86/69/99/812866999.db2.gz PIFWSQUKIHMZIJ-INIZCTEOSA-N 2 1 276.424 3.179 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc21 ZINC001205123917 812876121 /nfs/dbraw/zinc/87/61/21/812876121.db2.gz HCZLGTXYVRJCRC-QGZVFWFLSA-N 3 1 299.462 3.001 20 0 CGADMP CC(C)C1=[NH+]CCc2ccc(CN3CCC[C@@H]([NH3+])CC3)cc21 ZINC001205123917 812876133 /nfs/dbraw/zinc/87/61/33/812876133.db2.gz HCZLGTXYVRJCRC-QGZVFWFLSA-N 2 1 299.462 3.001 20 0 CGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001205124718 812878275 /nfs/dbraw/zinc/87/82/75/812878275.db2.gz YPQCIXXESQFTKA-GOSISDBHSA-N 2 1 299.393 3.201 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145723 812886132 /nfs/dbraw/zinc/88/61/32/812886132.db2.gz CQQYUEAQXHFSGG-WCQYABFASA-N 2 1 274.433 3.236 20 0 CGADMP c1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001205164265 812893042 /nfs/dbraw/zinc/89/30/42/812893042.db2.gz BTFLJQUCQMFEKA-IRXDYDNUSA-N 2 1 258.409 3.356 20 0 CGADMP c1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001205164265 812893047 /nfs/dbraw/zinc/89/30/47/812893047.db2.gz BTFLJQUCQMFEKA-IRXDYDNUSA-N 2 1 258.409 3.356 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001205164961 812895727 /nfs/dbraw/zinc/89/57/27/812895727.db2.gz YERWBZJMGWLJHA-XJKCOSOUSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001205164961 812895737 /nfs/dbraw/zinc/89/57/37/812895737.db2.gz YERWBZJMGWLJHA-XJKCOSOUSA-N 2 1 294.389 3.097 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(Br)c2)CC1 ZINC001205257862 812918623 /nfs/dbraw/zinc/91/86/23/812918623.db2.gz XUGQDPHHJGEHBB-CQSZACIVSA-N 2 1 297.240 3.152 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(Br)c2)CC1 ZINC001205257862 812918629 /nfs/dbraw/zinc/91/86/29/812918629.db2.gz XUGQDPHHJGEHBB-CQSZACIVSA-N 2 1 297.240 3.152 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)[nH]1 ZINC001205264806 812921792 /nfs/dbraw/zinc/92/17/92/812921792.db2.gz MYGMJWILINEXIX-MRXNPFEDSA-N 2 1 263.429 3.016 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001205264325 812922562 /nfs/dbraw/zinc/92/25/62/812922562.db2.gz KNBOKAMMXLJVPF-INIZCTEOSA-N 2 1 275.371 3.010 20 0 CGADMP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205273124 812924306 /nfs/dbraw/zinc/92/43/06/812924306.db2.gz FNKSNUWEIUGCGZ-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205273124 812924309 /nfs/dbraw/zinc/92/43/09/812924309.db2.gz FNKSNUWEIUGCGZ-HNNXBMFYSA-N 2 1 282.815 3.052 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205274616 812926405 /nfs/dbraw/zinc/92/64/05/812926405.db2.gz YVLPLJDRASHAIA-HNNXBMFYSA-N 2 1 266.816 3.352 20 0 CGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC001205295953 812936371 /nfs/dbraw/zinc/93/63/71/812936371.db2.gz DDVANNMJNKQDJI-CVEARBPZSA-N 2 1 274.452 3.271 20 0 CGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205296827 812937048 /nfs/dbraw/zinc/93/70/48/812937048.db2.gz ULPMXWSYRVXXCY-MSNYOWOLSA-N 2 1 252.446 3.430 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205306555 812944139 /nfs/dbraw/zinc/94/41/39/812944139.db2.gz XFLDIXVUAGLHPL-QAPCUYQASA-N 2 1 295.430 3.165 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205317751 812950314 /nfs/dbraw/zinc/95/03/14/812950314.db2.gz PVLLQAYCZJRAQM-ZFWWWQNUSA-N 2 1 278.465 3.134 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cccc3sccc32)C[C@@H]1C[NH3+] ZINC001205318546 812950552 /nfs/dbraw/zinc/95/05/52/812950552.db2.gz VWLNGTJRPVJFQO-JSGCOSHPSA-N 2 1 274.433 3.318 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205332330 812959297 /nfs/dbraw/zinc/95/92/97/812959297.db2.gz OSFGEIQTLDEVIR-GFCCVEGCSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205332330 812959304 /nfs/dbraw/zinc/95/93/04/812959304.db2.gz OSFGEIQTLDEVIR-GFCCVEGCSA-N 2 1 274.433 3.394 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c21 ZINC001205559220 813003413 /nfs/dbraw/zinc/00/34/13/813003413.db2.gz OZNLYZYCISZGTK-QGZVFWFLSA-N 2 1 289.398 3.129 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205601359 813017389 /nfs/dbraw/zinc/01/73/89/813017389.db2.gz DTVFJGMQAREDPX-YPMHNXCESA-N 2 1 284.806 3.286 20 0 CGADMP CSc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205600920 813017944 /nfs/dbraw/zinc/01/79/44/813017944.db2.gz CLTLOXOTRUBPFV-HIFRSBDPSA-N 2 1 278.465 3.215 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC001205602021 813018353 /nfs/dbraw/zinc/01/83/53/813018353.db2.gz HQNJZUDJYAWQSP-NEPJUHHUSA-N 2 1 284.806 3.286 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001205603386 813018946 /nfs/dbraw/zinc/01/89/46/813018946.db2.gz OVAXPMYWSACQPC-NXOAAHMSSA-N 2 1 264.457 3.286 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC1 ZINC001205603388 813020419 /nfs/dbraw/zinc/02/04/19/813020419.db2.gz OVAXPMYWSACQPC-QZWWFDLISA-N 2 1 264.457 3.286 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC001205604679 813021608 /nfs/dbraw/zinc/02/16/08/813021608.db2.gz VZOMJUOUGPZRBC-GOEBONIOSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)CC[C@@H]1C[NH3+] ZINC001205627163 813032867 /nfs/dbraw/zinc/03/28/67/813032867.db2.gz NISMYSRSJMVHPO-HUUCEWRRSA-N 2 1 283.419 3.042 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Cl ZINC001205627975 813034660 /nfs/dbraw/zinc/03/46/60/813034660.db2.gz TVLWZHNSFGOMNW-IUODEOHRSA-N 2 1 280.843 3.455 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@H]1C[NH3+] ZINC001205628461 813035168 /nfs/dbraw/zinc/03/51/68/813035168.db2.gz VGJWHGDHRDMXTL-ZBFHGGJFSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccoc32)CC[C@H]1C[NH3+] ZINC001205651830 813041440 /nfs/dbraw/zinc/04/14/40/813041440.db2.gz KFWFJSDCVVMVPH-OLZOCXBDSA-N 2 1 290.382 3.379 20 0 CGADMP CCOc1ccc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651815 813041891 /nfs/dbraw/zinc/04/18/91/813041891.db2.gz KBTYSRNILIKAFH-HZPDHXFCSA-N 2 1 290.451 3.201 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)CC[C@H]1C[NH3+] ZINC001205651340 813042625 /nfs/dbraw/zinc/04/26/25/813042625.db2.gz CUAAHMNMPATCSK-STQMWFEESA-N 2 1 289.398 3.114 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205763984 813069377 /nfs/dbraw/zinc/06/93/77/813069377.db2.gz SVHLPSAVTCWJEK-OAHLLOKOSA-N 2 1 296.405 3.400 20 0 CGADMP CC(C)(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205763984 813069385 /nfs/dbraw/zinc/06/93/85/813069385.db2.gz SVHLPSAVTCWJEK-OAHLLOKOSA-N 2 1 296.405 3.400 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3sccc32)CCC1(F)F ZINC001205788076 813078426 /nfs/dbraw/zinc/07/84/26/813078426.db2.gz LLNHNLUMCUDROX-GFCCVEGCSA-N 2 1 296.386 3.317 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3sccc32)CCC1(F)F ZINC001205788076 813078433 /nfs/dbraw/zinc/07/84/33/813078433.db2.gz LLNHNLUMCUDROX-GFCCVEGCSA-N 2 1 296.386 3.317 20 0 CGADMP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205803994 813086634 /nfs/dbraw/zinc/08/66/34/813086634.db2.gz LFCANOWAVJNIAW-GOEBONIOSA-N 2 1 298.430 3.408 20 0 CGADMP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205803994 813086641 /nfs/dbraw/zinc/08/66/41/813086641.db2.gz LFCANOWAVJNIAW-GOEBONIOSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205806319 813088806 /nfs/dbraw/zinc/08/88/06/813088806.db2.gz TYOMJUKIEYIILO-JSGCOSHPSA-N 2 1 271.408 3.036 20 0 CGADMP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205806319 813088815 /nfs/dbraw/zinc/08/88/15/813088815.db2.gz TYOMJUKIEYIILO-JSGCOSHPSA-N 2 1 271.408 3.036 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2C2CC2)C1 ZINC001205816342 813095606 /nfs/dbraw/zinc/09/56/06/813095606.db2.gz MBSWIBCGHPZLLP-CJNGLKHVSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001205816342 813095613 /nfs/dbraw/zinc/09/56/13/813095613.db2.gz MBSWIBCGHPZLLP-CJNGLKHVSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc3sccc32)C1 ZINC001205839725 813103775 /nfs/dbraw/zinc/10/37/75/813103775.db2.gz FYTAQRUQHNTYPQ-JSGCOSHPSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc3sccc32)C1 ZINC001205839725 813103781 /nfs/dbraw/zinc/10/37/81/813103781.db2.gz FYTAQRUQHNTYPQ-JSGCOSHPSA-N 2 1 274.433 3.461 20 0 CGADMP C[C@]1(F)CCC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001205855608 813109559 /nfs/dbraw/zinc/10/95/59/813109559.db2.gz OFCQDPWIPCPODC-KRWDZBQOSA-N 2 1 276.399 3.046 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901572 813123320 /nfs/dbraw/zinc/12/33/20/813123320.db2.gz DGCMZPDMDJUUDB-LSDHHAIUSA-N 2 1 285.435 3.220 20 0 CGADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205903440 813124252 /nfs/dbraw/zinc/12/42/52/813124252.db2.gz OYRWFENUIQZCQM-JSGCOSHPSA-N 2 1 296.842 3.298 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205903440 813124256 /nfs/dbraw/zinc/12/42/56/813124256.db2.gz OYRWFENUIQZCQM-JSGCOSHPSA-N 2 1 296.842 3.298 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1Br ZINC001205903529 813126294 /nfs/dbraw/zinc/12/62/94/813126294.db2.gz QAUDPGSTRSTVAX-NWDGAFQWSA-N 2 1 297.240 3.008 20 0 CGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1Br ZINC001205903529 813126300 /nfs/dbraw/zinc/12/63/00/813126300.db2.gz QAUDPGSTRSTVAX-NWDGAFQWSA-N 2 1 297.240 3.008 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)s1 ZINC001205903768 813126500 /nfs/dbraw/zinc/12/65/00/813126500.db2.gz QZIMNULYHNDRFT-STQMWFEESA-N 2 1 266.454 3.260 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1coc2ccc(F)cc12 ZINC001205915224 813131257 /nfs/dbraw/zinc/13/12/57/813131257.db2.gz OWVFLZSDCJBYQV-NEPJUHHUSA-N 2 1 276.355 3.131 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205925643 813137089 /nfs/dbraw/zinc/13/70/89/813137089.db2.gz XTUXRHUJOFDOCZ-OLZOCXBDSA-N 2 1 266.816 3.208 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981859 813151309 /nfs/dbraw/zinc/15/13/09/813151309.db2.gz IEMYDFCIHNKDEI-IXDOHACOSA-N 2 1 298.515 3.261 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC001205981016 813151615 /nfs/dbraw/zinc/15/16/15/813151615.db2.gz BBCZAFBEZWYMJO-IAGOWNOFSA-N 2 1 274.452 3.419 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCC[C@@H]1C[NH3+] ZINC001205991358 813154132 /nfs/dbraw/zinc/15/41/32/813154132.db2.gz AFKINPOTUDPWDC-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCC[C@@H]1C[NH3+] ZINC001205992082 813154664 /nfs/dbraw/zinc/15/46/64/813154664.db2.gz DIVMNSATVBLYHD-GOEBONIOSA-N 2 1 283.419 3.042 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205994326 813155033 /nfs/dbraw/zinc/15/50/33/813155033.db2.gz KUSGJBIKLRJGHM-RYUDHWBXSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205993098 813155394 /nfs/dbraw/zinc/15/53/94/813155394.db2.gz GXLQGDPXUYLIOJ-WCQYABFASA-N 2 1 284.806 3.286 20 0 CGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001205995700 813157282 /nfs/dbraw/zinc/15/72/82/813157282.db2.gz PLBNYEONEKTGDQ-OLZOCXBDSA-N 2 1 296.842 3.155 20 0 CGADMP Cc1ccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c[nH]c2c1 ZINC001205996590 813157740 /nfs/dbraw/zinc/15/77/40/813157740.db2.gz XNASEWADNAVGIV-LSDHHAIUSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2coc3ccccc23)CCC[C@@H]1C[NH3+] ZINC001206004365 813161251 /nfs/dbraw/zinc/16/12/51/813161251.db2.gz RXKUMXKCLRDNQM-ZIAGYGMSSA-N 2 1 272.392 3.240 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccsc2Cl)CCC[C@H]1C[NH3+] ZINC001206011137 813163541 /nfs/dbraw/zinc/16/35/41/813163541.db2.gz AFAZXBDAFALCRL-MNOVXSKESA-N 2 1 272.845 3.208 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)CCC[C@@H]1C[NH3+] ZINC001206012041 813164657 /nfs/dbraw/zinc/16/46/57/813164657.db2.gz IDTNVTVCTHKBON-GDBMZVCRSA-N 2 1 299.418 3.148 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206021656 813168720 /nfs/dbraw/zinc/16/87/20/813168720.db2.gz APNGWXRHKUFJPM-TZMCWYRMSA-N 2 1 280.843 3.455 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1C ZINC001206028220 813171825 /nfs/dbraw/zinc/17/18/25/813171825.db2.gz XTQMSKPFLXBJGZ-WBVHZDCISA-N 2 1 290.451 3.201 20 0 CGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206028821 813171989 /nfs/dbraw/zinc/17/19/89/813171989.db2.gz ZMAINQGWANYBLL-KGLIPLIRSA-N 2 1 294.414 3.031 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2c(Cl)[nH]c3ccccc32)CC[C@@H]1F ZINC001206163523 813220939 /nfs/dbraw/zinc/22/09/39/813220939.db2.gz DCHQAFIKSSWJPQ-STQMWFEESA-N 2 1 295.789 3.083 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC[C@@H]1F ZINC001206163523 813220944 /nfs/dbraw/zinc/22/09/44/813220944.db2.gz DCHQAFIKSSWJPQ-STQMWFEESA-N 2 1 295.789 3.083 20 0 CGADMP CCCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)s1 ZINC001206163786 813221154 /nfs/dbraw/zinc/22/11/54/813221154.db2.gz FUEMEVFRORJMDS-HUUCEWRRSA-N 2 1 284.444 3.352 20 0 CGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@@H]1F ZINC001206173527 813225499 /nfs/dbraw/zinc/22/54/99/813225499.db2.gz HVDLGRGSUMIYJT-IRXDYDNUSA-N 2 1 299.393 3.010 20 0 CGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@@H]1F ZINC001206173527 813225501 /nfs/dbraw/zinc/22/55/01/813225501.db2.gz HVDLGRGSUMIYJT-IRXDYDNUSA-N 2 1 299.393 3.010 20 0 CGADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206174975 813225612 /nfs/dbraw/zinc/22/56/12/813225612.db2.gz QZUOOSJEYCCGNU-CVEARBPZSA-N 2 1 278.415 3.245 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206198146 813236178 /nfs/dbraw/zinc/23/61/78/813236178.db2.gz LCRKJMWWNVEKSK-KBPBESRZSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206198146 813236182 /nfs/dbraw/zinc/23/61/82/813236182.db2.gz LCRKJMWWNVEKSK-KBPBESRZSA-N 2 1 284.806 3.218 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269446 813264818 /nfs/dbraw/zinc/26/48/18/813264818.db2.gz NCAARMBSAQCJGC-YIEVGGLXSA-N 2 1 252.446 3.444 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001206294145 813274683 /nfs/dbraw/zinc/27/46/83/813274683.db2.gz JLPANCCIMBQVKI-HNNXBMFYSA-N 2 1 266.816 3.291 20 0 CGADMP Cn1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c2ccccc21 ZINC001206294037 813275122 /nfs/dbraw/zinc/27/51/22/813275122.db2.gz IRTUBMXTQDGTSL-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1C ZINC001206303118 813279107 /nfs/dbraw/zinc/27/91/07/813279107.db2.gz BLKPWBBGMCHREY-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc2c1 ZINC001206304334 813279717 /nfs/dbraw/zinc/27/97/17/813279717.db2.gz IWWQMHGDVMOYPQ-GOSISDBHSA-N 2 1 285.435 3.427 20 0 CGADMP Cc1c(F)cccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304911 813281090 /nfs/dbraw/zinc/28/10/90/813281090.db2.gz RAQVJBNBZAUOGY-MRXNPFEDSA-N 2 1 264.388 3.085 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(F)c2F)CC1 ZINC001206304549 813281376 /nfs/dbraw/zinc/28/13/76/813281376.db2.gz MKERNHJMGUECDQ-HNNXBMFYSA-N 2 1 286.341 3.055 20 0 CGADMP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311705 813283864 /nfs/dbraw/zinc/28/38/64/813283864.db2.gz SJYTYMJHZUZVOB-MRXNPFEDSA-N 2 1 282.378 3.224 20 0 CGADMP CCOc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1F ZINC001206327431 813289848 /nfs/dbraw/zinc/28/98/48/813289848.db2.gz WKLUXJXATPDHHR-KRWDZBQOSA-N 2 1 294.414 3.175 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)o1 ZINC001206338279 813294487 /nfs/dbraw/zinc/29/44/87/813294487.db2.gz YXFJHDPSGPOZDC-XJKSGUPXSA-N 2 1 282.403 3.235 20 0 CGADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@](F)(C[NH3+])C2)o1 ZINC001206338279 813294493 /nfs/dbraw/zinc/29/44/93/813294493.db2.gz YXFJHDPSGPOZDC-XJKSGUPXSA-N 2 1 282.403 3.235 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)OC3(CCCCC3)C2)CC1 ZINC001206490337 813335025 /nfs/dbraw/zinc/33/50/25/813335025.db2.gz LZRJPGDUALUIBR-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001206540121 813342425 /nfs/dbraw/zinc/34/24/25/813342425.db2.gz AGDZKFIMEWCMGQ-GOSISDBHSA-N 2 1 272.436 3.126 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2C2CCC2)CC1 ZINC001206552655 813350913 /nfs/dbraw/zinc/35/09/13/813350913.db2.gz LXGHDGWXWKRGIT-QGZVFWFLSA-N 2 1 264.457 3.373 20 0 CGADMP CCOc1cc(C)ccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206580089 813362238 /nfs/dbraw/zinc/36/22/38/813362238.db2.gz CCPLCOBVJRSWEX-SFHVURJKSA-N 2 1 290.451 3.345 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001206581569 813362779 /nfs/dbraw/zinc/36/27/79/813362779.db2.gz KHHAZNRHMZQFAW-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP CC(C)(CC[N@H+]1CCCC[C@H](C[NH3+])C1)c1ccccc1 ZINC001206606532 813372169 /nfs/dbraw/zinc/37/21/69/813372169.db2.gz OHGCCDUQPVNESS-MRXNPFEDSA-N 2 1 274.452 3.415 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001206616510 813376090 /nfs/dbraw/zinc/37/60/90/813376090.db2.gz PTCFDHVPPICHAW-GFCCVEGCSA-N 2 1 291.826 3.382 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206615111 813376258 /nfs/dbraw/zinc/37/62/58/813376258.db2.gz CMPIXLMFVSVTNO-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206615111 813376264 /nfs/dbraw/zinc/37/62/64/813376264.db2.gz CMPIXLMFVSVTNO-GFCCVEGCSA-N 2 1 284.806 3.348 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639215 813382391 /nfs/dbraw/zinc/38/23/91/813382391.db2.gz CHMYLDRYDMDDNH-AWEZNQCLSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1c(F)cccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639215 813382398 /nfs/dbraw/zinc/38/23/98/813382398.db2.gz CHMYLDRYDMDDNH-AWEZNQCLSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(F)c1 ZINC001206648000 813386223 /nfs/dbraw/zinc/38/62/23/813386223.db2.gz KVDNZTAJNDDKTE-CQSZACIVSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(F)c1 ZINC001206648000 813386232 /nfs/dbraw/zinc/38/62/32/813386232.db2.gz KVDNZTAJNDDKTE-CQSZACIVSA-N 2 1 294.414 3.174 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC001207175271 813504605 /nfs/dbraw/zinc/50/46/05/813504605.db2.gz SLDRLCQJLWIIBG-QYZOEREBSA-N 2 1 286.463 3.452 20 0 CGADMP CC(C)n1nccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001207173299 813504759 /nfs/dbraw/zinc/50/47/59/813504759.db2.gz AHBDNHOYHKUORJ-UHFFFAOYSA-N 2 1 292.471 3.016 20 0 CGADMP C[N@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207177158 813506947 /nfs/dbraw/zinc/50/69/47/813506947.db2.gz MEQDAMRAEOMPCL-PBHICJAKSA-N 2 1 292.854 3.470 20 0 CGADMP C[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207177158 813506953 /nfs/dbraw/zinc/50/69/53/813506953.db2.gz MEQDAMRAEOMPCL-PBHICJAKSA-N 2 1 292.854 3.470 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207283611 813533120 /nfs/dbraw/zinc/53/31/20/813533120.db2.gz ARZBZJFENWXTKZ-MRXNPFEDSA-N 2 1 290.451 3.420 20 0 CGADMP C[NH+]1CCC(CC[N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001207486642 813573852 /nfs/dbraw/zinc/57/38/52/813573852.db2.gz LTYXEAIIXLIVAS-UHFFFAOYSA-N 2 1 292.854 3.430 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C)CC2)cc1 ZINC001207486982 813575226 /nfs/dbraw/zinc/57/52/26/813575226.db2.gz PQJXKTOFXRUQID-OAHLLOKOSA-N 2 1 290.451 3.420 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609351 813612892 /nfs/dbraw/zinc/61/28/92/813612892.db2.gz WCVOEFDGKDPCOM-SJORKVTESA-N 2 1 264.457 3.373 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC001207723931 813640450 /nfs/dbraw/zinc/64/04/50/813640450.db2.gz RBXYWWSEXLIXBS-CYBMUJFWSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](C[NH+]1CCC([N@@H+](C)C2CC2)CC1)c1ccccc1 ZINC001207911699 813670291 /nfs/dbraw/zinc/67/02/91/813670291.db2.gz IFKURUKQGZQWOD-OAHLLOKOSA-N 2 1 272.436 3.349 20 0 CGADMP CC/C=C\CCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001208136141 813702786 /nfs/dbraw/zinc/70/27/86/813702786.db2.gz ROJOFRHVSGVHBL-ARJAWSKDSA-N 2 1 262.441 3.151 20 0 CGADMP CC/C=C\CCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001208136141 813702790 /nfs/dbraw/zinc/70/27/90/813702790.db2.gz ROJOFRHVSGVHBL-ARJAWSKDSA-N 2 1 262.441 3.151 20 0 CGADMP Cc1ccc([C@H](C)CC[N@@H+](C)CCC[NH+]2CCCC2)o1 ZINC001208153907 813712667 /nfs/dbraw/zinc/71/26/67/813712667.db2.gz DIVWLBBKSSMOMG-OAHLLOKOSA-N 2 1 278.440 3.499 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@H](C)c1ccc(C)o1 ZINC001208168586 813722808 /nfs/dbraw/zinc/72/28/08/813722808.db2.gz OHYXLFJTUQVIBB-AWEZNQCLSA-N 2 1 266.429 3.355 20 0 CGADMP C[NH+](C)CC1(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC001208192609 813737169 /nfs/dbraw/zinc/73/71/69/813737169.db2.gz VZIHZNDSQSYHAX-CYBMUJFWSA-N 2 1 292.389 3.383 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC001208192609 813737174 /nfs/dbraw/zinc/73/71/74/813737174.db2.gz VZIHZNDSQSYHAX-CYBMUJFWSA-N 2 1 292.389 3.383 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607634 813773496 /nfs/dbraw/zinc/77/34/96/813773496.db2.gz DRDDBLKUDWRCTN-GOEBONIOSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607634 813773502 /nfs/dbraw/zinc/77/35/02/813773502.db2.gz DRDDBLKUDWRCTN-GOEBONIOSA-N 2 1 292.854 3.471 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001208607634 813773510 /nfs/dbraw/zinc/77/35/10/813773510.db2.gz DRDDBLKUDWRCTN-GOEBONIOSA-N 2 1 292.854 3.471 20 0 CGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCC4CC4)C[C@@H]3C2)cc1 ZINC001208687403 813796468 /nfs/dbraw/zinc/79/64/68/813796468.db2.gz CPVAKLQYIJGFOT-RBUKOAKNSA-N 2 1 284.447 3.240 20 0 CGADMP CC/C=C\CC[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001208726344 813815235 /nfs/dbraw/zinc/81/52/35/813815235.db2.gz UNGREHRJYXWMRW-OOFWQKGWSA-N 2 1 294.483 3.166 20 0 CGADMP CC/C=C\CC[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001208726344 813815245 /nfs/dbraw/zinc/81/52/45/813815245.db2.gz UNGREHRJYXWMRW-OOFWQKGWSA-N 2 1 294.483 3.166 20 0 CGADMP CC/C=C\CC[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001208726344 813815256 /nfs/dbraw/zinc/81/52/56/813815256.db2.gz UNGREHRJYXWMRW-OOFWQKGWSA-N 2 1 294.483 3.166 20 0 CGADMP CC/C=C\CC[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001208726344 813815265 /nfs/dbraw/zinc/81/52/65/813815265.db2.gz UNGREHRJYXWMRW-OOFWQKGWSA-N 2 1 294.483 3.166 20 0 CGADMP CC/C=C\CC[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001208728084 813818491 /nfs/dbraw/zinc/81/84/91/813818491.db2.gz XXLLMRRFNOOHDF-IFEVLTCRSA-N 2 1 299.462 3.192 20 0 CGADMP CC/C=C\CC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001208727740 813818995 /nfs/dbraw/zinc/81/89/95/813818995.db2.gz QQHVQRKDQCBLQR-PLNGDYQASA-N 2 1 273.424 3.285 20 0 CGADMP C[NH+](C)CCC[N@@H+](C)CCCc1ccccc1Cl ZINC001208872837 813876408 /nfs/dbraw/zinc/87/64/08/813876408.db2.gz ZJZYLARICMJRKY-UHFFFAOYSA-N 2 1 268.832 3.156 20 0 CGADMP FC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208946526 813905781 /nfs/dbraw/zinc/90/57/81/813905781.db2.gz HSOVTUCJONQEKJ-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP FC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208946526 813905785 /nfs/dbraw/zinc/90/57/85/813905785.db2.gz HSOVTUCJONQEKJ-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP FC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208946526 813905790 /nfs/dbraw/zinc/90/57/90/813905790.db2.gz HSOVTUCJONQEKJ-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP FC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208946526 813905798 /nfs/dbraw/zinc/90/57/98/813905798.db2.gz HSOVTUCJONQEKJ-QZTJIDSGSA-N 2 1 290.426 3.333 20 0 CGADMP CCOC(C)(C)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209075059 813926398 /nfs/dbraw/zinc/92/63/98/813926398.db2.gz NJQKEAHHCRRSBH-INIZCTEOSA-N 2 1 282.472 3.142 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCCc3ccccc3)C2)C1 ZINC001209235816 813980541 /nfs/dbraw/zinc/98/05/41/813980541.db2.gz SPWDVWZYODTQRB-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCCc3ccccc3)C2)C1 ZINC001209235816 813980543 /nfs/dbraw/zinc/98/05/43/813980543.db2.gz SPWDVWZYODTQRB-IBGZPJMESA-N 2 1 286.463 3.427 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)cc2)o1 ZINC001210496818 814489375 /nfs/dbraw/zinc/48/93/75/814489375.db2.gz JVYSSDXHHNAESA-AWEZNQCLSA-N 2 1 284.403 3.439 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+][C@@H](C)CC3)cc2)o1 ZINC001210496818 814489379 /nfs/dbraw/zinc/48/93/79/814489379.db2.gz JVYSSDXHHNAESA-AWEZNQCLSA-N 2 1 284.403 3.439 20 0 CGADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+][C@H](C)CC3)cc2)o1 ZINC001210496820 814489849 /nfs/dbraw/zinc/48/98/49/814489849.db2.gz JVYSSDXHHNAESA-CQSZACIVSA-N 2 1 284.403 3.439 20 0 CGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+][C@H](C)CC3)cc2)o1 ZINC001210496820 814489853 /nfs/dbraw/zinc/48/98/53/814489853.db2.gz JVYSSDXHHNAESA-CQSZACIVSA-N 2 1 284.403 3.439 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2csc3ccccc23)CC[NH2+]1 ZINC001210498793 814491034 /nfs/dbraw/zinc/49/10/34/814491034.db2.gz RWKQBIQPAMERNU-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)CC[NH2+]1 ZINC001210498793 814491038 /nfs/dbraw/zinc/49/10/38/814491038.db2.gz RWKQBIQPAMERNU-GFCCVEGCSA-N 2 1 260.406 3.085 20 0 CGADMP c1cc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2s1 ZINC001222148761 816359609 /nfs/dbraw/zinc/35/96/09/816359609.db2.gz SPLNJLWKRVYUTO-KRWDZBQOSA-N 2 1 286.444 3.477 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191068 816372464 /nfs/dbraw/zinc/37/24/64/816372464.db2.gz IRUQLKKVLYDKDX-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191068 816372470 /nfs/dbraw/zinc/37/24/70/816372470.db2.gz IRUQLKKVLYDKDX-HZPDHXFCSA-N 2 1 250.430 3.197 20 0 CGADMP Clc1ccc(CC[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222230638 816380477 /nfs/dbraw/zinc/38/04/77/816380477.db2.gz BZIPMUMLGATUBE-INIZCTEOSA-N 2 1 278.827 3.101 20 0 CGADMP Clc1ccc(CC[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222230638 816380484 /nfs/dbraw/zinc/38/04/84/816380484.db2.gz BZIPMUMLGATUBE-INIZCTEOSA-N 2 1 278.827 3.101 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001222231844 816380681 /nfs/dbraw/zinc/38/06/81/816380681.db2.gz PVUXEJCWEJSQOE-ULQDDVLXSA-N 2 1 262.441 3.197 20 0 CGADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c21 ZINC001222265825 816391610 /nfs/dbraw/zinc/39/16/10/816391610.db2.gz ZXAAYWNFMRGCBL-IBGZPJMESA-N 2 1 297.446 3.442 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222308018 816403563 /nfs/dbraw/zinc/40/35/63/816403563.db2.gz FJUKIMYULNFROL-QGZVFWFLSA-N 2 1 258.409 3.103 20 0 CGADMP COc1cccc(C)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321402 816408531 /nfs/dbraw/zinc/40/85/31/816408531.db2.gz VFZYOKRSQLVCBY-SFHVURJKSA-N 2 1 288.435 3.112 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335382 816411040 /nfs/dbraw/zinc/41/10/40/816411040.db2.gz JSWKLKLRVMYKGW-MRXNPFEDSA-N 2 1 296.499 3.293 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001222400940 816434137 /nfs/dbraw/zinc/43/41/37/816434137.db2.gz ODVHZXLECWHIAS-ZIAGYGMSSA-N 2 1 286.410 3.133 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCCC2(CCCC2)C1 ZINC001222400940 816434142 /nfs/dbraw/zinc/43/41/42/816434142.db2.gz ODVHZXLECWHIAS-ZIAGYGMSSA-N 2 1 286.410 3.133 20 0 CGADMP c1ccc(CCCC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420147 816439776 /nfs/dbraw/zinc/43/97/76/816439776.db2.gz ATTHAGRSMJUHBT-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420147 816439781 /nfs/dbraw/zinc/43/97/81/816439781.db2.gz ATTHAGRSMJUHBT-SFHVURJKSA-N 2 1 272.436 3.227 20 0 CGADMP Fc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595557 816474545 /nfs/dbraw/zinc/47/45/45/816474545.db2.gz CRFULOLBOAQJEJ-KRWDZBQOSA-N 2 1 296.389 3.015 20 0 CGADMP Fc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595557 816474550 /nfs/dbraw/zinc/47/45/50/816474550.db2.gz CRFULOLBOAQJEJ-KRWDZBQOSA-N 2 1 296.389 3.015 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)s1 ZINC001222595989 816474708 /nfs/dbraw/zinc/47/47/08/816474708.db2.gz NMQIESCPMDWWGP-KRWDZBQOSA-N 2 1 298.455 3.246 20 0 CGADMP CC[N@H+]1CCc2cc(-c3cccc(C[NH2+]C)c3)ccc2C1 ZINC001242997259 823204413 /nfs/dbraw/zinc/20/44/13/823204413.db2.gz JJEAXHNRKKDWTE-UHFFFAOYSA-N 2 1 280.415 3.451 20 0 CGADMP C[NH+](C)CC[C@H](O[C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001224133919 816738489 /nfs/dbraw/zinc/73/84/89/816738489.db2.gz OJUXHIVHOHIXFF-ROUUACIJSA-N 2 1 290.451 3.180 20 0 CGADMP CC[N@H+]1CCC[C@H](O[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224136013 816739157 /nfs/dbraw/zinc/73/91/57/816739157.db2.gz YHJCIZBNNQHSOB-ZWKOTPCHSA-N 2 1 290.451 3.180 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](Oc2cc(N)[nH+]c3ccccc32)C1 ZINC001226422977 817352785 /nfs/dbraw/zinc/35/27/85/817352785.db2.gz PNWZAYXCNUGZJL-ZDUSSCGKSA-N 2 1 285.391 3.069 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](Oc2cc(N)[nH+]c3ccccc32)C1 ZINC001226422977 817352793 /nfs/dbraw/zinc/35/27/93/817352793.db2.gz PNWZAYXCNUGZJL-ZDUSSCGKSA-N 2 1 285.391 3.069 20 0 CGADMP COc1cc(C)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001243242396 823309152 /nfs/dbraw/zinc/30/91/52/823309152.db2.gz ACKRLDYZWDVTIJ-UHFFFAOYSA-N 2 1 293.370 3.005 20 0 CGADMP c1c(C[N@@H+]2CCOC3(CCCCC3)C2)[nH]c2cc[nH+]cc12 ZINC001232015255 818233304 /nfs/dbraw/zinc/23/33/04/818233304.db2.gz DQSSVCJKPIAEEK-UHFFFAOYSA-N 2 1 285.391 3.098 20 0 CGADMP c1c(C[N@H+]2CCOC3(CCCCC3)C2)[nH]c2cc[nH+]cc12 ZINC001232015255 818233312 /nfs/dbraw/zinc/23/33/12/818233312.db2.gz DQSSVCJKPIAEEK-UHFFFAOYSA-N 2 1 285.391 3.098 20 0 CGADMP FC1(F)CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232010833 818233362 /nfs/dbraw/zinc/23/33/62/818233362.db2.gz DLBAAIVBDLVXNM-UHFFFAOYSA-N 2 1 265.307 3.184 20 0 CGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3nccc4ccccc43)C[C@H]2C1 ZINC001232248896 818292947 /nfs/dbraw/zinc/29/29/47/818292947.db2.gz CZZHDAPMVKCMCL-IAGOWNOFSA-N 2 1 295.430 3.008 20 0 CGADMP CN1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640220 818408017 /nfs/dbraw/zinc/40/80/17/818408017.db2.gz JYRCERJCNRQGHP-HKUYNNGSSA-N 2 1 284.447 3.091 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912870 818473264 /nfs/dbraw/zinc/47/32/64/818473264.db2.gz YFMSLCZPJLNQSL-MJGOQNOKSA-N 2 1 295.430 3.003 20 0 CGADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)sc1C ZINC001233683967 818679862 /nfs/dbraw/zinc/67/98/62/818679862.db2.gz BOYQVGKPSAZSTM-UHFFFAOYSA-N 2 1 266.454 3.283 20 0 CGADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)sc1C ZINC001233683967 818679867 /nfs/dbraw/zinc/67/98/67/818679867.db2.gz BOYQVGKPSAZSTM-UHFFFAOYSA-N 2 1 266.454 3.283 20 0 CGADMP c1cc2c(cccc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC001234998243 818972054 /nfs/dbraw/zinc/97/20/54/818972054.db2.gz GWQARNBPVFUBKQ-KRWDZBQOSA-N 2 1 270.376 3.008 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005400 818976840 /nfs/dbraw/zinc/97/68/40/818976840.db2.gz HDCHTLYINGUNLB-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005400 818976846 /nfs/dbraw/zinc/97/68/46/818976846.db2.gz HDCHTLYINGUNLB-HRCADAONSA-N 2 1 250.430 3.053 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039824 818989067 /nfs/dbraw/zinc/98/90/67/818989067.db2.gz YFXIZOCASAIDQC-HRCADAONSA-N 2 1 250.430 3.195 20 0 CGADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039824 818989070 /nfs/dbraw/zinc/98/90/70/818989070.db2.gz YFXIZOCASAIDQC-HRCADAONSA-N 2 1 250.430 3.195 20 0 CGADMP Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235047242 818989894 /nfs/dbraw/zinc/98/98/94/818989894.db2.gz UDMMLMPMOIXGBD-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235047242 818989902 /nfs/dbraw/zinc/98/99/02/818989902.db2.gz UDMMLMPMOIXGBD-KRWDZBQOSA-N 2 1 276.399 3.242 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(C)s1 ZINC001235047257 818991584 /nfs/dbraw/zinc/99/15/84/818991584.db2.gz UMBNKLCUDKIYBS-MRXNPFEDSA-N 2 1 278.465 3.473 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235091905 818999505 /nfs/dbraw/zinc/99/95/05/818999505.db2.gz FBAPVJMLBLSTNM-UHFFFAOYSA-N 2 1 292.854 3.348 20 0 CGADMP CC1=CC[C@H](CC[N@H+]2CCC3(C2)CC[NH2+]CC3)C1(C)C ZINC001235092553 818999568 /nfs/dbraw/zinc/99/95/68/818999568.db2.gz LIPLQFSQDCXYGX-MRXNPFEDSA-N 2 1 276.468 3.444 20 0 CGADMP c1ccc(C2(C[N@@H+]3CCC[C@@]34CC[NH2+]C4)CCCC2)cc1 ZINC001235110043 819005162 /nfs/dbraw/zinc/00/51/62/819005162.db2.gz HVEQDQMMAGGIKE-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP c1ccc(C2(C[N@H+]3CCC[C@@]34CC[NH2+]C4)CCCC2)cc1 ZINC001235110043 819005167 /nfs/dbraw/zinc/00/51/67/819005167.db2.gz HVEQDQMMAGGIKE-IBGZPJMESA-N 2 1 284.447 3.326 20 0 CGADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001235126588 819011742 /nfs/dbraw/zinc/01/17/42/819011742.db2.gz URIUMSIZHSXTJT-GVDBMIGSSA-N 2 1 262.441 3.197 20 0 CGADMP Clc1ccc(CCC[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235124308 819012062 /nfs/dbraw/zinc/01/20/62/819012062.db2.gz MEXYEEMFFBOSBP-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP Clc1ccc(CCC[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235124308 819012064 /nfs/dbraw/zinc/01/20/64/819012064.db2.gz MEXYEEMFFBOSBP-QGZVFWFLSA-N 2 1 292.854 3.491 20 0 CGADMP CCCC[C@H](CC)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235123532 819012333 /nfs/dbraw/zinc/01/23/33/819012333.db2.gz KFYLXMJKXBVIDO-HOTGVXAUSA-N 2 1 252.446 3.421 20 0 CGADMP Cc1cc(Cl)cc(C[N@@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235144743 819014681 /nfs/dbraw/zinc/01/46/81/819014681.db2.gz OHNHAUPWIBBFKF-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP Cc1cc(Cl)cc(C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235144743 819014688 /nfs/dbraw/zinc/01/46/88/819014688.db2.gz OHNHAUPWIBBFKF-UHFFFAOYSA-N 2 1 278.827 3.366 20 0 CGADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186098 819027654 /nfs/dbraw/zinc/02/76/54/819027654.db2.gz CBBXRZPGQDBQQZ-DSLCMKTCSA-N 2 1 264.457 3.444 20 0 CGADMP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193927 819031923 /nfs/dbraw/zinc/03/19/23/819031923.db2.gz SONNJQAFWABLAI-ZIAGYGMSSA-N 2 1 286.444 3.251 20 0 CGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210904 819036274 /nfs/dbraw/zinc/03/62/74/819036274.db2.gz PYRXFUXERLNEDA-DZFIZOCASA-N 2 1 296.414 3.016 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c2ccccc12 ZINC001235238843 819044332 /nfs/dbraw/zinc/04/43/32/819044332.db2.gz ANYCPTUCYZXRBY-VQIMIIECSA-N 2 1 280.415 3.461 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+])c1cccc2ccccc21 ZINC001235257382 819053499 /nfs/dbraw/zinc/05/34/99/819053499.db2.gz YVUBHGJQXGJRRU-FJXLLPKBSA-N 2 1 280.415 3.365 20 0 CGADMP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235264702 819056908 /nfs/dbraw/zinc/05/69/08/819056908.db2.gz AKMJWAMAYFXCBR-KDOFPFPSSA-N 2 1 284.378 3.163 20 0 CGADMP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235264702 819056914 /nfs/dbraw/zinc/05/69/14/819056914.db2.gz AKMJWAMAYFXCBR-KDOFPFPSSA-N 2 1 284.378 3.163 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(Oc4ccc(F)cc4)cc3)C[C@@H]12 ZINC001235284531 819061482 /nfs/dbraw/zinc/06/14/82/819061482.db2.gz LNSYYEODZQMRST-BCDXTJNWSA-N 2 1 298.361 3.007 20 0 CGADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(Oc4ccc(F)cc4)cc3)C[C@@H]12 ZINC001235284531 819061486 /nfs/dbraw/zinc/06/14/86/819061486.db2.gz LNSYYEODZQMRST-BCDXTJNWSA-N 2 1 298.361 3.007 20 0 CGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235282788 819061715 /nfs/dbraw/zinc/06/17/15/819061715.db2.gz JIQDJXMARNSBFG-RUGDWHBFSA-N 2 1 286.463 3.052 20 0 CGADMP c1coc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235363275 819079985 /nfs/dbraw/zinc/07/99/85/819079985.db2.gz IXJANSDACSCJOL-PKOBYXMFSA-N 2 1 296.414 3.033 20 0 CGADMP c1coc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235363275 819079993 /nfs/dbraw/zinc/07/99/93/819079993.db2.gz IXJANSDACSCJOL-PKOBYXMFSA-N 2 1 296.414 3.033 20 0 CGADMP c1cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cs1 ZINC001235378430 819081692 /nfs/dbraw/zinc/08/16/92/819081692.db2.gz IAFYCIZWHOMRTR-MSOLQXFVSA-N 2 1 298.455 3.327 20 0 CGADMP c1cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cs1 ZINC001235378430 819081696 /nfs/dbraw/zinc/08/16/96/819081696.db2.gz IAFYCIZWHOMRTR-MSOLQXFVSA-N 2 1 298.455 3.327 20 0 CGADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001235401719 819085709 /nfs/dbraw/zinc/08/57/09/819085709.db2.gz HJDDOOSWYXXQNV-MWDXBVQZSA-N 2 1 280.431 3.002 20 0 CGADMP C[C@H](CC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F)CC(C)(C)C ZINC001235402343 819085751 /nfs/dbraw/zinc/08/57/51/819085751.db2.gz IYGIUFZEOUNFOZ-BFYDXBDKSA-N 2 1 284.463 3.472 20 0 CGADMP c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422354 819092891 /nfs/dbraw/zinc/09/28/91/819092891.db2.gz BWOVACPJDBLLSU-HOTGVXAUSA-N 2 1 297.446 3.380 20 0 CGADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc2[nH]1 ZINC001235426689 819093101 /nfs/dbraw/zinc/09/31/01/819093101.db2.gz QAMCFHBHOLIHKO-ROUUACIJSA-N 2 1 297.446 3.380 20 0 CGADMP C(C1CCCCC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424762 819093109 /nfs/dbraw/zinc/09/31/09/819093109.db2.gz JOEHOEIPHCCZHH-SJORKVTESA-N 2 1 264.457 3.278 20 0 CGADMP CCCCC1CC[NH+](C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)CC1 ZINC001235432060 819095744 /nfs/dbraw/zinc/09/57/44/819095744.db2.gz GWEJCAOSCRLIJP-ZFWWWQNUSA-N 2 1 288.426 3.379 20 0 CGADMP CSc1cc(C)cc(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235433476 819096245 /nfs/dbraw/zinc/09/62/45/819096245.db2.gz XLXPCJIPFZUOBT-UHFFFAOYSA-N 2 1 278.465 3.148 20 0 CGADMP C[N@@H+](CCCc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC001235433658 819096661 /nfs/dbraw/zinc/09/66/61/819096661.db2.gz TWMPYQDQZKLRTE-UHFFFAOYSA-N 2 1 280.843 3.204 20 0 CGADMP CCOc1c(Cl)cc(C[N@H+](C)CCC[NH3+])cc1Cl ZINC001235435538 819097185 /nfs/dbraw/zinc/09/71/85/819097185.db2.gz NXNZSIZESHLRMP-UHFFFAOYSA-N 2 1 291.222 3.173 20 0 CGADMP CCOc1c(Cl)cc(C[N@@H+](C)CCC[NH3+])cc1Cl ZINC001235435538 819097190 /nfs/dbraw/zinc/09/71/90/819097190.db2.gz NXNZSIZESHLRMP-UHFFFAOYSA-N 2 1 291.222 3.173 20 0 CGADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)CC1CC[NH2+]CC1 ZINC001235433988 819098631 /nfs/dbraw/zinc/09/86/31/819098631.db2.gz VNLXYGQMBILUSX-UHFFFAOYSA-N 2 1 274.452 3.416 20 0 CGADMP C[N@@H+](CCC[NH3+])Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001235435707 819099508 /nfs/dbraw/zinc/09/95/08/819099508.db2.gz VDKQLDSHEABGEN-UHFFFAOYSA-N 2 1 296.720 3.019 20 0 CGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC001235466651 819106273 /nfs/dbraw/zinc/10/62/73/819106273.db2.gz REVHNCCRSGBMJU-UHFFFAOYSA-N 2 1 290.451 3.274 20 0 CGADMP CCCC[N@@H+](CCC)Cc1cc2c(s1)CC[NH2+]C2 ZINC001235661978 819132569 /nfs/dbraw/zinc/13/25/69/819132569.db2.gz BFPAQMNVNHGGAI-UHFFFAOYSA-N 2 1 266.454 3.406 20 0 CGADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(C)c1Cl ZINC001235673731 819133581 /nfs/dbraw/zinc/13/35/81/819133581.db2.gz CXQYPWCAIKFWFT-CYBMUJFWSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)c1Cl ZINC001235673731 819133584 /nfs/dbraw/zinc/13/35/84/819133584.db2.gz CXQYPWCAIKFWFT-CYBMUJFWSA-N 2 1 266.816 3.128 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235674215 819135103 /nfs/dbraw/zinc/13/51/03/819135103.db2.gz DFKIPSBIBOLDFD-ZDUSSCGKSA-N 2 1 274.433 3.380 20 0 CGADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC001235676269 819136820 /nfs/dbraw/zinc/13/68/20/819136820.db2.gz QZXJDZKZSUXNQU-KRWDZBQOSA-N 2 1 260.425 3.200 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712428 819148262 /nfs/dbraw/zinc/14/82/62/819148262.db2.gz CLLZGPISBIRECZ-UHFFFAOYSA-N 2 1 286.444 3.395 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235713518 819148585 /nfs/dbraw/zinc/14/85/85/819148585.db2.gz CKCJJAKLUQUHNS-ZWKOTPCHSA-N 2 1 272.436 3.083 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc2occc2c1 ZINC001235716746 819150794 /nfs/dbraw/zinc/15/07/94/819150794.db2.gz JKNPENWBUZYUAB-UHFFFAOYSA-N 2 1 272.392 3.254 20 0 CGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc2c1CCCC2 ZINC001235717869 819152346 /nfs/dbraw/zinc/15/23/46/819152346.db2.gz NZGHZQLCJNNGJZ-UHFFFAOYSA-N 2 1 286.463 3.387 20 0 CGADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC001235725149 819153496 /nfs/dbraw/zinc/15/34/96/819153496.db2.gz HWDQQOWAVKFITP-INIZCTEOSA-N 2 1 284.378 3.274 20 0 CGADMP C[N@@H+](CC(c1ccccc1)c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001235841389 819183894 /nfs/dbraw/zinc/18/38/94/819183894.db2.gz FEOZQXVSBSCZJG-QGZVFWFLSA-N 2 1 294.442 3.360 20 0 CGADMP Cc1c2ccccc2sc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235843127 819185209 /nfs/dbraw/zinc/18/52/09/819185209.db2.gz WEHVNTBIWHPJBD-CYBMUJFWSA-N 2 1 274.433 3.251 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]3CCCC[C@H]31)CC[NH2+]C2 ZINC001235868772 819190074 /nfs/dbraw/zinc/19/00/74/819190074.db2.gz VBRJWNFLEZESHH-VQIMIIECSA-N 2 1 284.447 3.487 20 0 CGADMP c1c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)sc2c1CC[NH2+]C2 ZINC001235894163 819204562 /nfs/dbraw/zinc/20/45/62/819204562.db2.gz UMLHSZQUCSCOBP-WFASDCNBSA-N 2 1 276.449 3.158 20 0 CGADMP CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235930294 819227717 /nfs/dbraw/zinc/22/77/17/819227717.db2.gz VSZGTUAKABOKDF-HZPDHXFCSA-N 2 1 272.436 3.025 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929320 819228190 /nfs/dbraw/zinc/22/81/90/819228190.db2.gz LPJLBUJWTOPQEH-YESZJQIVSA-N 2 1 296.499 3.149 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235936333 819232701 /nfs/dbraw/zinc/23/27/01/819232701.db2.gz JPJQEECAODNLLY-WCQYABFASA-N 2 1 296.867 3.103 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235936333 819232709 /nfs/dbraw/zinc/23/27/09/819232709.db2.gz JPJQEECAODNLLY-WCQYABFASA-N 2 1 296.867 3.103 20 0 CGADMP c1cc(-c2ccccc2)sc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235939874 819233579 /nfs/dbraw/zinc/23/35/79/819233579.db2.gz QTRDCJIMVLWYIE-JKSUJKDBSA-N 2 1 298.455 3.456 20 0 CGADMP CCC(C)(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235941225 819233943 /nfs/dbraw/zinc/23/39/43/819233943.db2.gz VCCWAHMXAMUBDN-IAGOWNOFSA-N 2 1 286.463 3.416 20 0 CGADMP CC(C)(C)c1cccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235941847 819234292 /nfs/dbraw/zinc/23/42/92/819234292.db2.gz XHPFNPZDPZNTAQ-CVEARBPZSA-N 2 1 272.436 3.025 20 0 CGADMP FC1(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001235946805 819235548 /nfs/dbraw/zinc/23/55/48/819235548.db2.gz BNBNTTBGPSPWDI-AWEZNQCLSA-N 2 1 296.817 3.221 20 0 CGADMP Fc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235949467 819240477 /nfs/dbraw/zinc/24/04/77/819240477.db2.gz MBQYMZKWRQXKMS-DOTOQJQBSA-N 2 1 276.399 3.147 20 0 CGADMP CC1=CC[C@@H](CC[N@H+](C)C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC001235951396 819241044 /nfs/dbraw/zinc/24/10/44/819241044.db2.gz RUVCJRJKIKLVRM-CVEARBPZSA-N 2 1 264.457 3.300 20 0 CGADMP CC/C=C\CCCCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235951375 819241179 /nfs/dbraw/zinc/24/11/79/819241179.db2.gz RPKGWROZJUNNQV-YIEVGGLXSA-N 2 1 252.446 3.444 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235951367 819241353 /nfs/dbraw/zinc/24/13/53/819241353.db2.gz RLLGNBPJUWVWAW-HOTGVXAUSA-N 2 1 252.446 3.300 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001235950672 819241557 /nfs/dbraw/zinc/24/15/57/819241557.db2.gz LFJZGIMRFVPLRL-QGZVFWFLSA-N 2 1 290.451 3.153 20 0 CGADMP CSc1ccc(Cl)cc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235958297 819245475 /nfs/dbraw/zinc/24/54/75/819245475.db2.gz CXGWWWHUYXQZKT-LBPRGKRZSA-N 2 1 298.883 3.493 20 0 CGADMP CSc1ccc(Cl)cc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235958297 819245477 /nfs/dbraw/zinc/24/54/77/819245477.db2.gz CXGWWWHUYXQZKT-LBPRGKRZSA-N 2 1 298.883 3.493 20 0 CGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC001235962920 819251111 /nfs/dbraw/zinc/25/11/11/819251111.db2.gz RHEPWDWIWOMAJV-CQSZACIVSA-N 2 1 264.388 3.037 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC001235990939 819261581 /nfs/dbraw/zinc/26/15/81/819261581.db2.gz FAYMWMKDXJZTKJ-CJNGLKHVSA-N 2 1 294.389 3.142 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001235990939 819261585 /nfs/dbraw/zinc/26/15/85/819261585.db2.gz FAYMWMKDXJZTKJ-CJNGLKHVSA-N 2 1 294.389 3.142 20 0 CGADMP CC[N@@H+](Cc1cccc(F)c1)CC1(C)CC[NH2+]CC1 ZINC001236043279 819280491 /nfs/dbraw/zinc/28/04/91/819280491.db2.gz YAVLAQMNACDPTL-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001236059695 819292898 /nfs/dbraw/zinc/29/28/98/819292898.db2.gz JZQKFLBWKRATTQ-KRWDZBQOSA-N 2 1 272.436 3.386 20 0 CGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001236066005 819298615 /nfs/dbraw/zinc/29/86/15/819298615.db2.gz FUHRKMGFKMSFEH-CQSZACIVSA-N 2 1 286.444 3.456 20 0 CGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236071945 819300886 /nfs/dbraw/zinc/30/08/86/819300886.db2.gz NBDUIDBCOOHRHF-CYBMUJFWSA-N 2 1 298.455 3.341 20 0 CGADMP C[C@@H]1C[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC001236093732 819312670 /nfs/dbraw/zinc/31/26/70/819312670.db2.gz IUUQLRAETVYYBP-YGRLFVJLSA-N 2 1 287.234 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC001236093732 819312675 /nfs/dbraw/zinc/31/26/75/819312675.db2.gz IUUQLRAETVYYBP-YGRLFVJLSA-N 2 1 287.234 3.205 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095511 819314569 /nfs/dbraw/zinc/31/45/69/819314569.db2.gz VRWFGVGDDIRFJO-HNNXBMFYSA-N 2 1 298.430 3.422 20 0 CGADMP CCOc1ccc2ccccc2c1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095511 819314573 /nfs/dbraw/zinc/31/45/73/819314573.db2.gz VRWFGVGDDIRFJO-HNNXBMFYSA-N 2 1 298.430 3.422 20 0 CGADMP Cc1cc(C[N@@H+](C)CCCC[NH3+])c(Cl)cc1Cl ZINC001236141053 819341134 /nfs/dbraw/zinc/34/11/34/819341134.db2.gz DSMUJSUMEOFQJL-UHFFFAOYSA-N 2 1 275.223 3.473 20 0 CGADMP CC(C)Oc1ccc(Cl)cc1C[N@@H+](C)CCCC[NH3+] ZINC001236141595 819342619 /nfs/dbraw/zinc/34/26/19/819342619.db2.gz KZIUACVQBVXNLI-UHFFFAOYSA-N 2 1 284.831 3.298 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236169561 819354393 /nfs/dbraw/zinc/35/43/93/819354393.db2.gz KTFNILPDRRMJFG-RHSMWYFYSA-N 2 1 260.425 3.022 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236169561 819354400 /nfs/dbraw/zinc/35/44/00/819354400.db2.gz KTFNILPDRRMJFG-RHSMWYFYSA-N 2 1 260.425 3.022 20 0 CGADMP CCC[N@@H+](Cc1cc(F)cc(F)c1C)C1CC[NH2+]CC1 ZINC001236182707 819359996 /nfs/dbraw/zinc/35/99/96/819359996.db2.gz TYILWGLDFURIPF-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP CCC[N@H+](Cc1ccc(C)c(F)c1F)C1CC[NH2+]CC1 ZINC001236183171 819360474 /nfs/dbraw/zinc/36/04/74/819360474.db2.gz WJDRTEVEJIIDIS-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP CCC[N@@H+](Cc1ccc(C)c(F)c1F)C1CC[NH2+]CC1 ZINC001236183171 819360479 /nfs/dbraw/zinc/36/04/79/819360479.db2.gz WJDRTEVEJIIDIS-UHFFFAOYSA-N 2 1 282.378 3.237 20 0 CGADMP CCC[N@@H+](Cc1ccccc1-n1cccc1)C1CC[NH2+]CC1 ZINC001236185010 819360615 /nfs/dbraw/zinc/36/06/15/819360615.db2.gz RNUISBUSWTXAKW-UHFFFAOYSA-N 2 1 297.446 3.441 20 0 CGADMP Fc1cccc(F)c1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236190832 819362712 /nfs/dbraw/zinc/36/27/12/819362712.db2.gz YRUNKWXHYGXNSR-CJNGLKHVSA-N 2 1 294.389 3.491 20 0 CGADMP COc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC001236203457 819366037 /nfs/dbraw/zinc/36/60/37/819366037.db2.gz ZPDUVZQKBIUGAU-IBGZPJMESA-N 2 1 298.430 3.422 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC001236203457 819366044 /nfs/dbraw/zinc/36/60/44/819366044.db2.gz ZPDUVZQKBIUGAU-IBGZPJMESA-N 2 1 298.430 3.422 20 0 CGADMP CCOc1ccc(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236212880 819374254 /nfs/dbraw/zinc/37/42/54/819374254.db2.gz AFORJJKVIYBXBR-SJORKVTESA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1ccc(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236212880 819374263 /nfs/dbraw/zinc/37/42/63/819374263.db2.gz AFORJJKVIYBXBR-SJORKVTESA-N 2 1 276.424 3.095 20 0 CGADMP C[N@@H+](Cc1ccc2cccccc1-2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213642 819375945 /nfs/dbraw/zinc/37/59/45/819375945.db2.gz CQDBYUUUKVLZIM-ROUUACIJSA-N 2 1 268.404 3.493 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)CCCc2cccc(F)c2)CC1 ZINC001236213784 819376750 /nfs/dbraw/zinc/37/67/50/819376750.db2.gz VUILUWTYGHCYRR-UHFFFAOYSA-N 2 1 278.415 3.221 20 0 CGADMP CCOc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1C ZINC001236215424 819377770 /nfs/dbraw/zinc/37/77/70/819377770.db2.gz HYDQQUCZFAXBSY-HZPDHXFCSA-N 2 1 276.424 3.095 20 0 CGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1C ZINC001236215424 819377775 /nfs/dbraw/zinc/37/77/75/819377775.db2.gz HYDQQUCZFAXBSY-HZPDHXFCSA-N 2 1 276.424 3.095 20 0 CGADMP C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217386 819382980 /nfs/dbraw/zinc/38/29/80/819382980.db2.gz OSVZZEDBUGALGT-IEBWSBKVSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217386 819382985 /nfs/dbraw/zinc/38/29/85/819382985.db2.gz OSVZZEDBUGALGT-IEBWSBKVSA-N 2 1 295.430 3.450 20 0 CGADMP C[N@@H+](Cc1ccc2ccsc2c1)C1(C)CC[NH2+]CC1 ZINC001236226365 819390825 /nfs/dbraw/zinc/39/08/25/819390825.db2.gz KMMDTFMMLIDVMQ-UHFFFAOYSA-N 2 1 274.433 3.475 20 0 CGADMP CCCc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)s1 ZINC001236226570 819391178 /nfs/dbraw/zinc/39/11/78/819391178.db2.gz OXNINZBMDOWNFQ-UHFFFAOYSA-N 2 1 266.454 3.275 20 0 CGADMP Cc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc1Cl ZINC001236226086 819391883 /nfs/dbraw/zinc/39/18/83/819391883.db2.gz HNMGCMJBQSJSNX-UHFFFAOYSA-N 2 1 266.816 3.222 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236245294 819402549 /nfs/dbraw/zinc/40/25/49/819402549.db2.gz SJIFBFRPPBRGSC-GDBMZVCRSA-N 2 1 296.405 3.308 20 0 CGADMP CC[N@H+](Cc1ccc(C)cc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236245294 819402555 /nfs/dbraw/zinc/40/25/55/819402555.db2.gz SJIFBFRPPBRGSC-GDBMZVCRSA-N 2 1 296.405 3.308 20 0 CGADMP CCC[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)CC(C)C ZINC001236266046 819410352 /nfs/dbraw/zinc/41/03/52/819410352.db2.gz XWUXLIHHCQUICB-UHFFFAOYSA-N 2 1 260.425 3.200 20 0 CGADMP Clc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314694 819421273 /nfs/dbraw/zinc/42/12/73/819421273.db2.gz FJBMLYUMRKKALQ-TXEJJXNPSA-N 2 1 299.245 3.425 20 0 CGADMP CC[N@@H+](CCc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407160 819454456 /nfs/dbraw/zinc/45/44/56/819454456.db2.gz CHAICFHBNPUKQL-QGZVFWFLSA-N 2 1 274.452 3.284 20 0 CGADMP CC[N@H+](Cc1ccc(F)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236408430 819456581 /nfs/dbraw/zinc/45/65/81/819456581.db2.gz LWEBKKOUIBVWRN-CQSZACIVSA-N 2 1 286.394 3.410 20 0 CGADMP CC[N@@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236408974 819456701 /nfs/dbraw/zinc/45/67/01/819456701.db2.gz VGCKCPUVJWXYFZ-HUUCEWRRSA-N 2 1 254.462 3.380 20 0 CGADMP CC[N@@H+](Cc1cccc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236410895 819457328 /nfs/dbraw/zinc/45/73/28/819457328.db2.gz LGIGDLFCKHWHSX-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC[N@H+](Cc1cccc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236410895 819457333 /nfs/dbraw/zinc/45/73/33/819457333.db2.gz LGIGDLFCKHWHSX-CYBMUJFWSA-N 2 1 266.816 3.080 20 0 CGADMP CC(C)(C)C[N@@H+](C[C@@H]1CC=CCC1)C1CC[NH2+]CC1 ZINC001236454477 819484430 /nfs/dbraw/zinc/48/44/30/819484430.db2.gz LUZNRVKZODCHIO-OAHLLOKOSA-N 2 1 264.457 3.443 20 0 CGADMP Cc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)oc1C ZINC001236458134 819486776 /nfs/dbraw/zinc/48/67/76/819486776.db2.gz RJBSXYKBOABKBA-UHFFFAOYSA-N 2 1 278.440 3.497 20 0 CGADMP Cc1ccsc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473555 819492201 /nfs/dbraw/zinc/49/22/01/819492201.db2.gz LWPDHNUMGLHGLD-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP Cc1ccsc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473555 819492205 /nfs/dbraw/zinc/49/22/05/819492205.db2.gz LWPDHNUMGLHGLD-CQSZACIVSA-N 2 1 266.454 3.267 20 0 CGADMP Cc1ccc(F)cc1C[N@H+](C[C@@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC001236510084 819508133 /nfs/dbraw/zinc/50/81/33/819508133.db2.gz YDQXVFSYFKMUTR-CABCVRRESA-N 2 1 290.426 3.344 20 0 CGADMP CC(C)[N@H+](Cc1cccc2ccoc21)[C@@H]1CC[NH2+]C1 ZINC001236530737 819522332 /nfs/dbraw/zinc/52/23/32/819522332.db2.gz UKXIDBWPHOXRRS-OAHLLOKOSA-N 2 1 258.365 3.005 20 0 CGADMP CC(C)[N@@H+](Cc1cccc2ccoc21)[C@@H]1CC[NH2+]C1 ZINC001236530737 819522336 /nfs/dbraw/zinc/52/23/36/819522336.db2.gz UKXIDBWPHOXRRS-OAHLLOKOSA-N 2 1 258.365 3.005 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236604033 819551257 /nfs/dbraw/zinc/55/12/57/819551257.db2.gz BMWJFVJRAPMCBA-AWEZNQCLSA-N 2 1 289.467 3.276 20 0 CGADMP CC(C)(C)c1c[nH]c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236604033 819551262 /nfs/dbraw/zinc/55/12/62/819551262.db2.gz BMWJFVJRAPMCBA-AWEZNQCLSA-N 2 1 289.467 3.276 20 0 CGADMP Cc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(C)c1 ZINC001236633421 819557257 /nfs/dbraw/zinc/55/72/57/819557257.db2.gz HKRZUALHWLZALQ-UHFFFAOYSA-N 2 1 272.436 3.410 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4ccoc43)C[C@@H]2C1 ZINC001236743972 819590200 /nfs/dbraw/zinc/59/02/00/819590200.db2.gz VMAJYUGPSNXISE-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4ccoc43)C[C@@H]2C1 ZINC001236743972 819590204 /nfs/dbraw/zinc/59/02/04/819590204.db2.gz VMAJYUGPSNXISE-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4ccoc43)C[C@@H]2C1 ZINC001236743972 819590208 /nfs/dbraw/zinc/59/02/08/819590208.db2.gz VMAJYUGPSNXISE-CALCHBBNSA-N 2 1 284.403 3.206 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769495 819592178 /nfs/dbraw/zinc/59/21/78/819592178.db2.gz WNTWGBPLPSSWHO-WKILWMFISA-N 3 1 297.531 3.192 20 0 CGADMP CN(C)CC(C)(C)C[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769495 819592181 /nfs/dbraw/zinc/59/21/81/819592181.db2.gz WNTWGBPLPSSWHO-WKILWMFISA-N 2 1 297.531 3.192 20 0 CGADMP CN(C)CC(C)(C)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769495 819592185 /nfs/dbraw/zinc/59/21/85/819592185.db2.gz WNTWGBPLPSSWHO-WKILWMFISA-N 2 1 297.531 3.192 20 0 CGADMP C[C@H]1C[C@H]1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767336 819592469 /nfs/dbraw/zinc/59/24/69/819592469.db2.gz HMHUFOAATXWSLE-AJNGGQMLSA-N 2 1 252.446 3.260 20 0 CGADMP CCC(CC)[N@@H+](CC[C@@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781949 819593808 /nfs/dbraw/zinc/59/38/08/819593808.db2.gz CIFGLPRKQRYWCI-BQFCYCMXSA-N 3 1 295.515 3.279 20 0 CGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@H]12 ZINC001236817248 819605750 /nfs/dbraw/zinc/60/57/50/819605750.db2.gz AOCYLIJMNPNIRT-CORIIIEPSA-N 2 1 299.245 3.205 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)cc1Cl ZINC001236829537 819609810 /nfs/dbraw/zinc/60/98/10/819609810.db2.gz LDDATUXNHRGKRQ-NVBFEUDRSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)cc1Cl ZINC001236829537 819609811 /nfs/dbraw/zinc/60/98/11/819609811.db2.gz LDDATUXNHRGKRQ-NVBFEUDRSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC001236827298 819609913 /nfs/dbraw/zinc/60/99/13/819609913.db2.gz FIPKIVFXLFYXMN-MJVIPROJSA-N 2 1 299.245 3.471 20 0 CGADMP Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC001236827298 819609916 /nfs/dbraw/zinc/60/99/16/819609916.db2.gz FIPKIVFXLFYXMN-MJVIPROJSA-N 2 1 299.245 3.471 20 0 CGADMP CCC[N@@H+](CC[C@@H](C)c1ccc(C)o1)C[C@H]1CC[NH2+]C1 ZINC001236829907 819612099 /nfs/dbraw/zinc/61/20/99/819612099.db2.gz LMKNHNHREGJUTP-ZBFHGGJFSA-N 2 1 278.440 3.403 20 0 CGADMP CCc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Cl ZINC001236833546 819613422 /nfs/dbraw/zinc/61/34/22/819613422.db2.gz YZMFFEYQVXCDSV-OFQRWUPVSA-N 2 1 278.827 3.072 20 0 CGADMP CCC[N@H+](Cc1cc2cc(C)ccc2[nH]1)C[C@@H]1CC[NH2+]C1 ZINC001236836005 819615139 /nfs/dbraw/zinc/61/51/39/819615139.db2.gz SITZPGDMAMOQBS-OAHLLOKOSA-N 2 1 285.435 3.298 20 0 CGADMP CCC[N@@H+](Cc1ccc(Cl)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236841899 819618712 /nfs/dbraw/zinc/61/87/12/819618712.db2.gz AQQYGGKLOYZYPX-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1ccc(Cl)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236841899 819618717 /nfs/dbraw/zinc/61/87/17/819618717.db2.gz AQQYGGKLOYZYPX-ZDUSSCGKSA-N 2 1 296.842 3.170 20 0 CGADMP CCC[N@H+](Cc1ccc(OCC)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842229 819618898 /nfs/dbraw/zinc/61/88/98/819618898.db2.gz CEFNFDUSOXBWND-OAHLLOKOSA-N 2 1 294.414 3.046 20 0 CGADMP CCC[N@H+](Cc1cccc(Cl)c1C)C[C@H]1CC[NH2+]C1 ZINC001236842596 819619099 /nfs/dbraw/zinc/61/90/99/819619099.db2.gz FZYOPMDMHCPUBM-AWEZNQCLSA-N 2 1 280.843 3.470 20 0 CGADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1Cl ZINC001236859567 819625129 /nfs/dbraw/zinc/62/51/29/819625129.db2.gz VKEBKVHZMYEBII-MRXNPFEDSA-N 2 1 278.827 3.176 20 0 CGADMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC)c2ccccc12 ZINC001236865839 819626835 /nfs/dbraw/zinc/62/68/35/819626835.db2.gz QIBMPBOKZYKBGU-AWEZNQCLSA-N 2 1 272.392 3.018 20 0 CGADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC)c2ccccc12 ZINC001236865839 819626839 /nfs/dbraw/zinc/62/68/39/819626839.db2.gz QIBMPBOKZYKBGU-AWEZNQCLSA-N 2 1 272.392 3.018 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001237019695 819645461 /nfs/dbraw/zinc/64/54/61/819645461.db2.gz JYAJWIMKCPADLJ-SUMDDJOVSA-N 2 1 284.447 3.364 20 0 CGADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001237019695 819645463 /nfs/dbraw/zinc/64/54/63/819645463.db2.gz JYAJWIMKCPADLJ-SUMDDJOVSA-N 2 1 284.447 3.364 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1C ZINC001237057403 819656592 /nfs/dbraw/zinc/65/65/92/819656592.db2.gz MDBPDCFYLNJADR-KRWDZBQOSA-N 2 1 260.425 3.173 20 0 CGADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(Cl)c1 ZINC001237080715 819661939 /nfs/dbraw/zinc/66/19/39/819661939.db2.gz IECMTYSNPIIMCU-ZXFUBFMLSA-N 2 1 292.854 3.474 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001237081992 819662641 /nfs/dbraw/zinc/66/26/41/819662641.db2.gz OKJSPPWGOXRAIV-GOSISDBHSA-N 2 1 272.436 3.126 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001237187765 819693232 /nfs/dbraw/zinc/69/32/32/819693232.db2.gz KJDAAVCTNBFDJK-KOMQPUFPSA-N 2 1 264.457 3.277 20 0 CGADMP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](CCCC[NH3+])C2)cc1 ZINC001237266013 819711695 /nfs/dbraw/zinc/71/16/95/819711695.db2.gz SYTLACKTEIKWEU-INIZCTEOSA-N 2 1 290.451 3.392 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381306 819738770 /nfs/dbraw/zinc/73/87/70/819738770.db2.gz ISPRYLIWFXHWNZ-WMZOPIPTSA-N 2 1 288.435 3.048 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381306 819738773 /nfs/dbraw/zinc/73/87/73/819738773.db2.gz ISPRYLIWFXHWNZ-WMZOPIPTSA-N 2 1 288.435 3.048 20 0 CGADMP C(CC1CCCC1)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384118 819740670 /nfs/dbraw/zinc/74/06/70/819740670.db2.gz UMHFVSNFDNQBNE-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384118 819740674 /nfs/dbraw/zinc/74/06/74/819740674.db2.gz UMHFVSNFDNQBNE-JKSUJKDBSA-N 2 1 250.430 3.031 20 0 CGADMP CC(C)(CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1)c1ccccc1 ZINC001237384925 819740774 /nfs/dbraw/zinc/74/07/74/819740774.db2.gz ZATQPGLCXLZJQH-FUHWJXTLSA-N 2 1 286.463 3.428 20 0 CGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(C)c1F ZINC001237401691 819744100 /nfs/dbraw/zinc/74/41/00/819744100.db2.gz FHFVCZZVPBGHRF-JKSUJKDBSA-N 2 1 276.399 3.016 20 0 CGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(C)c1F ZINC001237401691 819744106 /nfs/dbraw/zinc/74/41/06/819744106.db2.gz FHFVCZZVPBGHRF-JKSUJKDBSA-N 2 1 276.399 3.016 20 0 CGADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2c(c1)CCCC2 ZINC001237419325 819747940 /nfs/dbraw/zinc/74/79/40/819747940.db2.gz ZWRSLYWKJNMKSB-MJGOQNOKSA-N 2 1 284.447 3.139 20 0 CGADMP C[C@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C[C@H]1C ZINC001238103642 819934155 /nfs/dbraw/zinc/93/41/55/819934155.db2.gz NWMDYPNRKACZDY-UONOGXRCSA-N 2 1 257.381 3.202 20 0 CGADMP C[C@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@H]1C ZINC001238103642 819934159 /nfs/dbraw/zinc/93/41/59/819934159.db2.gz NWMDYPNRKACZDY-UONOGXRCSA-N 2 1 257.381 3.202 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1C1([NH3+])CCC1 ZINC001241250008 821671331 /nfs/dbraw/zinc/67/13/31/821671331.db2.gz CHXREZMLGDPWJJ-UHFFFAOYSA-N 2 1 281.403 3.461 20 0 CGADMP Cc1ccc(C[NH+]2CCCC2)cc1C1=CC[N@@H+](C)CC1 ZINC001241333458 821741004 /nfs/dbraw/zinc/74/10/04/821741004.db2.gz VFTPQTUQQRCMHZ-UHFFFAOYSA-N 2 1 270.420 3.310 20 0 CGADMP CC(C)(C)/C=C/c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241564149 821950983 /nfs/dbraw/zinc/95/09/83/821950983.db2.gz RUTBWEZQUQHKGG-VOTSOKGWSA-N 2 1 255.365 3.080 20 0 CGADMP C[N@H+]1CCC=C(c2ccc(F)c(C[NH+]3CCCC3)c2)C1 ZINC001241571717 821959295 /nfs/dbraw/zinc/95/92/95/821959295.db2.gz FGXGTTQYJHYDIH-UHFFFAOYSA-N 2 1 274.383 3.140 20 0 CGADMP c1cc2c[nH+]cc(-c3ccccc3C[NH+]3CCOCC3)c2[nH]1 ZINC001241988064 822257011 /nfs/dbraw/zinc/25/70/11/822257011.db2.gz DEPSZZWHRWAGBD-UHFFFAOYSA-N 2 1 293.370 3.062 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC001345075951 936800475 /nfs/dbraw/zinc/80/04/75/936800475.db2.gz AXYKEWDVXCYBLR-JKSUJKDBSA-N 2 1 290.451 3.386 20 0 CGADMP COC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC001351284982 937013320 /nfs/dbraw/zinc/01/33/20/937013320.db2.gz YMJFSRUABREPEP-ULQDDVLXSA-N 2 1 296.499 3.148 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc(C)nc1 ZINC001167841099 927029092 /nfs/dbraw/zinc/02/90/92/927029092.db2.gz KDZLQOYVVGWEQG-MRXNPFEDSA-N 2 1 277.456 3.332 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001355263276 937133082 /nfs/dbraw/zinc/13/30/82/937133082.db2.gz JMFGRVVUZPFBMT-UZTPGZALSA-N 2 1 294.389 3.283 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001355263276 937133085 /nfs/dbraw/zinc/13/30/85/937133085.db2.gz JMFGRVVUZPFBMT-UZTPGZALSA-N 2 1 294.389 3.283 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261961115 927207900 /nfs/dbraw/zinc/20/79/00/927207900.db2.gz PGPXCUKXWMTXHF-FZMZJTMJSA-N 2 1 286.341 3.183 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC001324542482 928092843 /nfs/dbraw/zinc/09/28/43/928092843.db2.gz MRNLBUJTPPFRMM-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC001172830334 928225735 /nfs/dbraw/zinc/22/57/35/928225735.db2.gz HZWKSXXPIQZEGU-LJQANCHMSA-N 2 1 286.463 3.126 20 0 CGADMP Cc1cccc([C@H](C)[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001460559567 937534434 /nfs/dbraw/zinc/53/44/34/937534434.db2.gz JOQGZIOJCZYZBY-CGTJXYLNSA-N 2 1 272.436 3.330 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[Si](C)(C)C ZINC001460687303 937540087 /nfs/dbraw/zinc/54/00/87/937540087.db2.gz CVVUOWIYYHICNM-UHFFFAOYSA-N 2 1 256.510 3.062 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC001460701890 937541302 /nfs/dbraw/zinc/54/13/02/937541302.db2.gz BQVCNXHWMXFVAH-ZACQAIPSSA-N 2 1 287.451 3.418 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001461424293 937580074 /nfs/dbraw/zinc/58/00/74/937580074.db2.gz NLAWIGMHLIVBPU-NFAWXSAZSA-N 2 1 261.413 3.062 20 0 CGADMP C[C@H](CC[NH2+]Cc1cccc(OC(C)(C)C)c1)[NH+](C)C ZINC001461660800 937591235 /nfs/dbraw/zinc/59/12/35/937591235.db2.gz BPYCPCPMZAUYKR-CQSZACIVSA-N 2 1 278.440 3.294 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C4CCC4)CC3)[C@H]2C1 ZINC001461829508 937600656 /nfs/dbraw/zinc/60/06/56/937600656.db2.gz LBHNUQLUJCGKEJ-YVZBVZGPSA-N 2 1 276.468 3.275 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]cc1C(F)(F)F ZINC001307131955 932917827 /nfs/dbraw/zinc/91/78/27/932917827.db2.gz PSDNJRTWMWNOBA-LLVKDONJSA-N 2 1 289.345 3.055 20 0 CGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC001307515315 932965149 /nfs/dbraw/zinc/96/51/49/932965149.db2.gz ZYOLMFZIFQIDPI-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC001307515315 932965152 /nfs/dbraw/zinc/96/51/52/932965152.db2.gz ZYOLMFZIFQIDPI-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP CCC[C@@H](C)CCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC001307515315 932965156 /nfs/dbraw/zinc/96/51/56/932965156.db2.gz ZYOLMFZIFQIDPI-HZPDHXFCSA-N 2 1 254.462 3.476 20 0 CGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CC(C)(C)OC1(C)C ZINC001307497212 932961351 /nfs/dbraw/zinc/96/13/51/932961351.db2.gz DHPMAWVBNYEZLD-HZPDHXFCSA-N 2 1 296.499 3.386 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CC(C)(C)OC1(C)C ZINC001307497212 932961352 /nfs/dbraw/zinc/96/13/52/932961352.db2.gz DHPMAWVBNYEZLD-HZPDHXFCSA-N 2 1 296.499 3.386 20 0 CGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CC(C)(C)OC1(C)C ZINC001307497212 932961356 /nfs/dbraw/zinc/96/13/56/932961356.db2.gz DHPMAWVBNYEZLD-HZPDHXFCSA-N 2 1 296.499 3.386 20 0 CGADMP CC(C)=CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308056011 933041727 /nfs/dbraw/zinc/04/17/27/933041727.db2.gz GUUSTZBWLUYIGO-RBUKOAKNSA-N 2 1 284.447 3.407 20 0 CGADMP CC(C)=CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308056011 933041732 /nfs/dbraw/zinc/04/17/32/933041732.db2.gz GUUSTZBWLUYIGO-RBUKOAKNSA-N 2 1 284.447 3.407 20 0 CGADMP C[C@@H](COCC1CCCCC1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001308092082 933047414 /nfs/dbraw/zinc/04/74/14/933047414.db2.gz FFLNPCPRTFLMBU-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP C[NH+](C)CCC[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC001308178967 933066001 /nfs/dbraw/zinc/06/60/01/933066001.db2.gz FMTLBNQXHMFJRO-UHFFFAOYSA-N 2 1 298.430 3.307 20 0 CGADMP CC[NH+](CC)CCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC001308180700 933066500 /nfs/dbraw/zinc/06/65/00/933066500.db2.gz MKUYYBAFOIKMKF-UHFFFAOYSA-N 2 1 278.371 3.393 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC001308223030 933075885 /nfs/dbraw/zinc/07/58/85/933075885.db2.gz PRLMZWKPYLKYJU-VVLHAWIVSA-N 2 1 282.472 3.044 20 0 CGADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC001308223030 933075891 /nfs/dbraw/zinc/07/58/91/933075891.db2.gz PRLMZWKPYLKYJU-VVLHAWIVSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308554971 933131388 /nfs/dbraw/zinc/13/13/88/933131388.db2.gz RYYVXPULBDNCNB-NUEKZKHPSA-N 2 1 290.451 3.315 20 0 CGADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001308554971 933131392 /nfs/dbraw/zinc/13/13/92/933131392.db2.gz RYYVXPULBDNCNB-NUEKZKHPSA-N 2 1 290.451 3.315 20 0 CGADMP CNc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001308564228 933133121 /nfs/dbraw/zinc/13/31/21/933133121.db2.gz ITDMQTFFULGXPA-MRXNPFEDSA-N 2 1 287.451 3.036 20 0 CGADMP CNc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001308564228 933133122 /nfs/dbraw/zinc/13/31/22/933133122.db2.gz ITDMQTFFULGXPA-MRXNPFEDSA-N 2 1 287.451 3.036 20 0 CGADMP CC[N@@H+](CCC[NH2+]C[C@@H]1C[C@H]1C)C1CCCCC1 ZINC001308851541 933190545 /nfs/dbraw/zinc/19/05/45/933190545.db2.gz QOGNFYCFSXCLPX-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC001329024040 933467050 /nfs/dbraw/zinc/46/70/50/933467050.db2.gz NUZJEEDDRKGUAE-QWRGUYRKSA-N 2 1 283.485 3.398 20 0 CGADMP C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319212556 933843715 /nfs/dbraw/zinc/84/37/15/933843715.db2.gz XHDIARSUCOGLJQ-SNPRPXQTSA-N 2 1 266.454 3.142 20 0 CGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913420 933956320 /nfs/dbraw/zinc/95/63/20/933956320.db2.gz UWIOOGXCJRACAB-WMLDXEAASA-N 2 1 293.430 3.239 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913420 933956331 /nfs/dbraw/zinc/95/63/31/933956331.db2.gz UWIOOGXCJRACAB-WMLDXEAASA-N 2 1 293.430 3.239 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321346 934386171 /nfs/dbraw/zinc/38/61/71/934386171.db2.gz IECVMKIGRKTCBU-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321346 934386181 /nfs/dbraw/zinc/38/61/81/934386181.db2.gz IECVMKIGRKTCBU-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321346 934386190 /nfs/dbraw/zinc/38/61/90/934386190.db2.gz IECVMKIGRKTCBU-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321346 934386198 /nfs/dbraw/zinc/38/61/98/934386198.db2.gz IECVMKIGRKTCBU-ZFWWWQNUSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321345 934386344 /nfs/dbraw/zinc/38/63/44/934386344.db2.gz IECVMKIGRKTCBU-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321345 934386351 /nfs/dbraw/zinc/38/63/51/934386351.db2.gz IECVMKIGRKTCBU-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321345 934386361 /nfs/dbraw/zinc/38/63/61/934386361.db2.gz IECVMKIGRKTCBU-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321345 934386370 /nfs/dbraw/zinc/38/63/70/934386370.db2.gz IECVMKIGRKTCBU-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP C([C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC001473177801 937796068 /nfs/dbraw/zinc/79/60/68/937796068.db2.gz OZBLYELLTJHRPN-KRWDZBQOSA-N 2 1 276.468 3.375 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001473567668 937811915 /nfs/dbraw/zinc/81/19/15/937811915.db2.gz VOBWGYDABNZVEV-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC001325720282 934925136 /nfs/dbraw/zinc/92/51/36/934925136.db2.gz FVHXSKFGAJNJPK-GHMZBOCLSA-N 2 1 269.458 3.224 20 0 CGADMP c1ccc(SCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001328491011 935143586 /nfs/dbraw/zinc/14/35/86/935143586.db2.gz BBAFIZKATQAARF-UHFFFAOYSA-N 2 1 290.476 3.244 20 0 CGADMP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1ccc(F)cc1F ZINC001331834697 935412956 /nfs/dbraw/zinc/41/29/56/935412956.db2.gz NNJFPYWOEGTXDL-YGRLFVJLSA-N 2 1 256.340 3.004 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)C[C@H]2C1 ZINC001333891074 936073783 /nfs/dbraw/zinc/07/37/83/936073783.db2.gz JALPHMZMSLKTQL-JFIYKMOQSA-N 2 1 297.446 3.330 20 0 CGADMP COc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)c1 ZINC001334738465 936110328 /nfs/dbraw/zinc/11/03/28/936110328.db2.gz PEZMFBKWQVFITA-MAUKXSAKSA-N 2 1 288.435 3.222 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)c1 ZINC001334738466 936110479 /nfs/dbraw/zinc/11/04/79/936110479.db2.gz PEZMFBKWQVFITA-QAPCUYQASA-N 2 1 288.435 3.222 20 0 CGADMP FC1(F)[C@@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C[C@@H]21 ZINC001336270421 936185499 /nfs/dbraw/zinc/18/54/99/936185499.db2.gz IRPJGZOWRXMMBT-VOAZLFSDSA-N 2 1 296.405 3.168 20 0 CGADMP Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336887680 936225447 /nfs/dbraw/zinc/22/54/47/936225447.db2.gz FAUQHEZBYHSRGH-BZSNNMDCSA-N 2 1 272.436 3.157 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001473952640 937831879 /nfs/dbraw/zinc/83/18/79/937831879.db2.gz LFGFHHVTKISGTL-XDNAFOTISA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC001473964591 937832785 /nfs/dbraw/zinc/83/27/85/937832785.db2.gz FQNWYURVPFONPO-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP COc1cc(C)ccc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001474108939 937840725 /nfs/dbraw/zinc/84/07/25/937840725.db2.gz LORYHQMDNDQYJG-INIZCTEOSA-N 2 1 290.451 3.358 20 0 CGADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001474301158 937849582 /nfs/dbraw/zinc/84/95/82/937849582.db2.gz GIXFJROFOCQOQH-NUUXYWTLSA-N 2 1 278.484 3.379 20 0 CGADMP CC[C@@](C)(C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339267 937852913 /nfs/dbraw/zinc/85/29/13/937852913.db2.gz HDDGLRDLKPVJTN-ROUUACIJSA-N 2 1 296.499 3.245 20 0 CGADMP CC(C)(C)C[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001552210608 938190383 /nfs/dbraw/zinc/19/03/83/938190383.db2.gz BVRLBVZRRLDYEI-UAGQMJEPSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@@H]1C(C)C ZINC001559688737 938232786 /nfs/dbraw/zinc/23/27/86/938232786.db2.gz BUOVNKBJYFSDFB-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@@H]1C(C)C ZINC001559688737 938232787 /nfs/dbraw/zinc/23/27/87/938232787.db2.gz BUOVNKBJYFSDFB-MRXNPFEDSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccccc1C ZINC001560349624 938254667 /nfs/dbraw/zinc/25/46/67/938254667.db2.gz QMSVUHKFDYNLMN-UHFFFAOYSA-N 2 1 257.381 3.070 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1(c2ccccc2)CC1 ZINC001560594670 938264482 /nfs/dbraw/zinc/26/44/82/938264482.db2.gz VIBNIFMUGRCOJF-UHFFFAOYSA-N 2 1 295.430 3.359 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(C(C)C)CC2)C[C@H]1C ZINC001560636703 938267638 /nfs/dbraw/zinc/26/76/38/938267638.db2.gz LQAUEROUZSQYOS-CABCVRRESA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C(C)C)CC2)C[C@H]1C ZINC001560636703 938267640 /nfs/dbraw/zinc/26/76/40/938267640.db2.gz LQAUEROUZSQYOS-CABCVRRESA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C(C)C)CC2)C[C@H]1C ZINC001560636703 938267642 /nfs/dbraw/zinc/26/76/42/938267642.db2.gz LQAUEROUZSQYOS-CABCVRRESA-N 2 1 252.446 3.227 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001560865115 938280691 /nfs/dbraw/zinc/28/06/91/938280691.db2.gz QTYTWNBQCNTTRW-RDJZCZTQSA-N 2 1 274.452 3.426 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001560865115 938280693 /nfs/dbraw/zinc/28/06/93/938280693.db2.gz QTYTWNBQCNTTRW-RDJZCZTQSA-N 2 1 274.452 3.426 20 0 CGADMP CC[N@@H+](CCOc1ccccc1C)CC1CC[NH+](C)CC1 ZINC001560895367 938282585 /nfs/dbraw/zinc/28/25/85/938282585.db2.gz NGXDPLLGVKNVQG-UHFFFAOYSA-N 2 1 290.451 3.038 20 0 CGADMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001561039045 938291092 /nfs/dbraw/zinc/29/10/92/938291092.db2.gz HIGUVTAOWBSACN-HZPDHXFCSA-N 2 1 266.473 3.498 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001561053103 938292270 /nfs/dbraw/zinc/29/22/70/938292270.db2.gz SHYTXASVHDSVPX-NCXUSEDFSA-N 2 1 286.463 3.328 20 0 CGADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CCC3CCCCCC3)[C@@H]2C1 ZINC001561052673 938292401 /nfs/dbraw/zinc/29/24/01/938292401.db2.gz IGRVBUNQWGBXKF-BBWFWOEESA-N 2 1 264.457 3.277 20 0 CGADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576435320 960480309 /nfs/dbraw/zinc/48/03/09/960480309.db2.gz XBKDZVFWCHIARL-KFWWJZLASA-N 2 1 250.430 3.029 20 0 CGADMP C(C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC001574795571 962317016 /nfs/dbraw/zinc/31/70/16/962317016.db2.gz NJOAWZTYEKFTJJ-WMZOPIPTSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)(CCc1ccccc1)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575308007 962359554 /nfs/dbraw/zinc/35/95/54/962359554.db2.gz ZKKKKHCXKPIBLN-CYBMUJFWSA-N 2 1 288.357 3.267 20 0 CGADMP CC(C)(CCc1ccccc1)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575308008 962370485 /nfs/dbraw/zinc/37/04/85/962370485.db2.gz ZKKKKHCXKPIBLN-ZDUSSCGKSA-N 2 1 288.357 3.267 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)c1ccc(F)cc1 ZINC001575472855 962371054 /nfs/dbraw/zinc/37/10/54/962371054.db2.gz QLYUMYTWVOKXLV-CHWSQXEVSA-N 2 1 292.320 3.392 20 0 CGADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC2(CCCC2)[C@@H]1C(C)C ZINC001575423311 962377374 /nfs/dbraw/zinc/37/73/74/962377374.db2.gz RSQBORQWDMDQOF-GJZGRUSLSA-N 2 1 252.446 3.118 20 0 CGADMP CC(C)Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC001575655481 962409519 /nfs/dbraw/zinc/40/95/19/962409519.db2.gz LLFJGHMTMGNOEX-RHSMWYFYSA-N 2 1 260.425 3.197 20 0 CGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001575851397 962410287 /nfs/dbraw/zinc/41/02/87/962410287.db2.gz XPWJZKDSVLLUMH-VZEFYGNVSA-N 2 1 258.409 3.021 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC001575655208 962411935 /nfs/dbraw/zinc/41/19/35/962411935.db2.gz ICMXKAQEOPMBBP-VYDXJSESSA-N 2 1 289.467 3.085 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccc(C(C)(C)C)cc1 ZINC001576033105 962431559 /nfs/dbraw/zinc/43/15/59/962431559.db2.gz MSGITAYWYPJFOX-RHSMWYFYSA-N 2 1 274.452 3.114 20 0 CGADMP C[C@](C[NH3+])([NH2+]Cc1ccc(CC(F)(F)F)cc1)C1CC1 ZINC001575976485 962432017 /nfs/dbraw/zinc/43/20/17/962432017.db2.gz VXJYGWUVSNMYSP-CQSZACIVSA-N 2 1 286.341 3.008 20 0 CGADMP C[C@@]1(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCC[NH2+]C1 ZINC001576503096 962466541 /nfs/dbraw/zinc/46/65/41/962466541.db2.gz LSSBMXKZJWKUPP-QZTJIDSGSA-N 2 1 290.426 3.222 20 0 CGADMP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001576627732 962473528 /nfs/dbraw/zinc/47/35/28/962473528.db2.gz VESLCDUIFOOCKO-HLLBOEOZSA-N 2 1 258.409 3.069 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[NH2+]1 ZINC001576671270 962485428 /nfs/dbraw/zinc/48/54/28/962485428.db2.gz WMESOFWFAJNBHZ-AAEUAGOBSA-N 2 1 291.826 3.094 20 0 CGADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001576915608 962501775 /nfs/dbraw/zinc/50/17/75/962501775.db2.gz XOHVVBFGMGHKIV-WNEUIUNWSA-N 2 1 250.430 3.054 20 0 CGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC001577109561 962510526 /nfs/dbraw/zinc/51/05/26/962510526.db2.gz HSIHGRAWPNUBNY-UHFFFAOYSA-N 2 1 259.397 3.083 20 0 CGADMP CCC[C@@H](C[NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC001577357915 962524232 /nfs/dbraw/zinc/52/42/32/962524232.db2.gz KLHIQDJRIIRSKJ-HOTGVXAUSA-N 2 1 260.425 3.158 20 0 CGADMP CCO[C@H]1C[C@H]([N@@H+](C)CC2(C[NH3+])CCC2)C1(CC)CC ZINC001578087222 962568491 /nfs/dbraw/zinc/56/84/91/962568491.db2.gz GJRFGQKSJRPPHO-GJZGRUSLSA-N 2 1 282.472 3.031 20 0 CGADMP COc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(F)c1 ZINC001579212898 962607599 /nfs/dbraw/zinc/60/75/99/962607599.db2.gz PJRFMYPJKUWXFN-UHFFFAOYSA-N 2 1 294.414 3.175 20 0 CGADMP COc1cccc2c(C[N@H+]3CC[C@@H](CC[NH3+])C3)cccc12 ZINC001579288728 962619852 /nfs/dbraw/zinc/61/98/52/962619852.db2.gz UVIQXZSAQAVKFU-CQSZACIVSA-N 2 1 284.403 3.019 20 0 CGADMP COc1cccc([C@H]2C[C@H](C)C[N@H+]2C[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001579267766 962620776 /nfs/dbraw/zinc/62/07/76/962620776.db2.gz WMLGJJVFNCBTEF-KJGCVMFHSA-N 2 1 288.435 3.206 20 0 CGADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]([NH3+])C(C)C)cc1C ZINC001579571455 962636156 /nfs/dbraw/zinc/63/61/56/962636156.db2.gz GFNRVGXNGIAOSJ-TUYSUELWSA-N 2 1 260.425 3.198 20 0 CGADMP Cc1ccc(C[N@H+](CCC[NH3+])CCCC(C)C)o1 ZINC001579691129 962652923 /nfs/dbraw/zinc/65/29/23/962652923.db2.gz MQFRZBCGBTXNEQ-UHFFFAOYSA-N 2 1 252.402 3.175 20 0 CGADMP [NH3+]C[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)C1CCCC1 ZINC001580229442 962703211 /nfs/dbraw/zinc/70/32/11/962703211.db2.gz OEFHCKZLIBDAQT-PREGVCBESA-N 2 1 276.399 3.179 20 0 CGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001580266007 962708433 /nfs/dbraw/zinc/70/84/33/962708433.db2.gz WDDGVFOUDSOOGN-AWEZNQCLSA-N 2 1 270.420 3.222 20 0 CGADMP [NH3+]CC1(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC001580243341 962709815 /nfs/dbraw/zinc/70/98/15/962709815.db2.gz CLLMMFUUDMTICJ-AWEZNQCLSA-N 2 1 294.389 3.273 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@](F)(c3ccccc3)C2)C1 ZINC001580386954 962719227 /nfs/dbraw/zinc/71/92/27/962719227.db2.gz AKEDZDUGRKPAJN-USXIJHARSA-N 2 1 276.399 3.075 20 0 CGADMP CCCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000621359578 349506662 /nfs/dbraw/zinc/50/66/62/349506662.db2.gz NTGWMEOMTCBUCY-AGUYFDCRSA-N 2 1 278.465 3.415 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000621337587 349500041 /nfs/dbraw/zinc/50/00/41/349500041.db2.gz DAAPVLSANMZJQI-OLZOCXBDSA-N 2 1 266.454 3.273 20 0 CGADMP CCCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000621337587 349500044 /nfs/dbraw/zinc/50/00/44/349500044.db2.gz DAAPVLSANMZJQI-OLZOCXBDSA-N 2 1 266.454 3.273 20 0 CGADMP CC1CC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000621384652 349515704 /nfs/dbraw/zinc/51/57/04/349515704.db2.gz OINBAIWASVSTNS-UHFFFAOYSA-N 2 1 286.463 3.329 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CCC3)CCN1C ZINC000651644385 398261732 /nfs/dbraw/zinc/26/17/32/398261732.db2.gz PSSOVKFLUSFBRI-RHSMWYFYSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2CCC3)CC[N@@H+]1C ZINC000651644385 398261733 /nfs/dbraw/zinc/26/17/33/398261733.db2.gz PSSOVKFLUSFBRI-RHSMWYFYSA-N 2 1 272.436 3.090 20 0 CGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2CCC3)CC[N@H+]1C ZINC000651644385 398261735 /nfs/dbraw/zinc/26/17/35/398261735.db2.gz PSSOVKFLUSFBRI-RHSMWYFYSA-N 2 1 272.436 3.090 20 0 CGADMP CCCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000621728127 349569544 /nfs/dbraw/zinc/56/95/44/349569544.db2.gz BZEGJOVJRJLBTD-XJKSGUPXSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000621728127 349569550 /nfs/dbraw/zinc/56/95/50/349569550.db2.gz BZEGJOVJRJLBTD-XJKSGUPXSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000621728127 349569554 /nfs/dbraw/zinc/56/95/54/349569554.db2.gz BZEGJOVJRJLBTD-XJKSGUPXSA-N 2 1 280.481 3.473 20 0 CGADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000621728127 349569559 /nfs/dbraw/zinc/56/95/59/349569559.db2.gz BZEGJOVJRJLBTD-XJKSGUPXSA-N 2 1 280.481 3.473 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651680701 398268427 /nfs/dbraw/zinc/26/84/27/398268427.db2.gz OHQUEWKWWUYTJS-YHUYYLMFSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651681210 398268627 /nfs/dbraw/zinc/26/86/27/398268627.db2.gz HADOITPYHXPHNS-FZMZJTMJSA-N 2 1 296.817 3.398 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651681210 398268628 /nfs/dbraw/zinc/26/86/28/398268628.db2.gz HADOITPYHXPHNS-FZMZJTMJSA-N 2 1 296.817 3.398 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000337770508 214253717 /nfs/dbraw/zinc/25/37/17/214253717.db2.gz VDPHYTVDVRNDFV-GOSISDBHSA-N 2 1 290.451 3.282 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000622003852 349620617 /nfs/dbraw/zinc/62/06/17/349620617.db2.gz GLWZIIBKCPEHDL-IEBWSBKVSA-N 2 1 293.414 3.062 20 0 CGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000622003852 349620621 /nfs/dbraw/zinc/62/06/21/349620621.db2.gz GLWZIIBKCPEHDL-IEBWSBKVSA-N 2 1 293.414 3.062 20 0 CGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000651808382 398290775 /nfs/dbraw/zinc/29/07/75/398290775.db2.gz PADUWRKDWCFWLZ-HRCADAONSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@@H](C[NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000337952131 214328924 /nfs/dbraw/zinc/32/89/24/214328924.db2.gz YJCWQNSIMASCBY-INIZCTEOSA-N 2 1 271.408 3.365 20 0 CGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000651829503 398295199 /nfs/dbraw/zinc/29/51/99/398295199.db2.gz DQKSAUCOAIUTRL-PMPSAXMXSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccsc1 ZINC000651866120 398299064 /nfs/dbraw/zinc/29/90/64/398299064.db2.gz VSZQWGAYYZDCFR-CQSZACIVSA-N 2 1 268.470 3.247 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000337991451 214348126 /nfs/dbraw/zinc/34/81/26/214348126.db2.gz GQZNIJQBMHQDJQ-LBPRGKRZSA-N 2 1 293.361 3.081 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337996488 214350959 /nfs/dbraw/zinc/35/09/59/214350959.db2.gz KESJLONTOHOROJ-LSDHHAIUSA-N 2 1 267.392 3.090 20 0 CGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCOC[C@@H]1C)C1CCCCC1 ZINC000651910530 398304405 /nfs/dbraw/zinc/30/44/05/398304405.db2.gz XPWDJOJXRBYMIW-DOTOQJQBSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651911498 398306537 /nfs/dbraw/zinc/30/65/37/398306537.db2.gz BUUJJNVUWCGIGB-LJISPDSOSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccco1 ZINC000125948949 187207087 /nfs/dbraw/zinc/20/70/87/187207087.db2.gz QJCVJMFQUOCMKG-TZMCWYRMSA-N 2 1 252.402 3.297 20 0 CGADMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1cccc(F)c1 ZINC000423288191 529590347 /nfs/dbraw/zinc/59/03/47/529590347.db2.gz QXPCXYNEAXESAE-AWEZNQCLSA-N 2 1 252.377 3.384 20 0 CGADMP CC[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CCC1 ZINC000449183102 529585374 /nfs/dbraw/zinc/58/53/74/529585374.db2.gz KSLPMYKZOMRBGO-KRWDZBQOSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000414192635 529605473 /nfs/dbraw/zinc/60/54/73/529605473.db2.gz STHIMZZOXPOTTJ-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000271067950 282209404 /nfs/dbraw/zinc/20/94/04/282209404.db2.gz DKVGVGQIVFUXNS-XJKSGUPXSA-N 2 1 269.392 3.338 20 0 CGADMP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)CC(C)C ZINC000623353424 349786480 /nfs/dbraw/zinc/78/64/80/349786480.db2.gz LBJQSFJBNWHRRJ-IAGOWNOFSA-N 3 1 297.531 3.205 20 0 CGADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1F ZINC000423409973 529659749 /nfs/dbraw/zinc/65/97/49/529659749.db2.gz ZGPYBRCSSJACBE-WKPIXPDZSA-N 2 1 268.351 3.004 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623370955 349792716 /nfs/dbraw/zinc/79/27/16/349792716.db2.gz GDEPEDGORZGAEW-MRXNPFEDSA-N 2 1 290.451 3.436 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370955 349792717 /nfs/dbraw/zinc/79/27/17/349792717.db2.gz GDEPEDGORZGAEW-MRXNPFEDSA-N 2 1 290.451 3.436 20 0 CGADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000423378842 529662155 /nfs/dbraw/zinc/66/21/55/529662155.db2.gz WSYBMZYSYIIRJX-RRQGHBQHSA-N 2 1 294.389 3.189 20 0 CGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423280947 529668683 /nfs/dbraw/zinc/66/86/83/529668683.db2.gz TZXQDJOFKKUYOW-UONOGXRCSA-N 2 1 252.789 3.118 20 0 CGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCC1CCCC1 ZINC000371294446 282215259 /nfs/dbraw/zinc/21/52/59/282215259.db2.gz KVLQHKUUIHLILU-KURKYZTESA-N 2 1 294.483 3.140 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3cccnc32)CC1(C)C ZINC000623383873 349794754 /nfs/dbraw/zinc/79/47/54/349794754.db2.gz DWTAUKOMDIYGIC-INIZCTEOSA-N 2 1 283.419 3.197 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCOc3ccccc32)CC1(C)C ZINC000623387469 349796321 /nfs/dbraw/zinc/79/63/21/349796321.db2.gz DVDVHWXRZYMMGJ-HOCLYGCPSA-N 2 1 288.435 3.363 20 0 CGADMP Cc1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396574 349797593 /nfs/dbraw/zinc/79/75/93/349797593.db2.gz XYUBNVJFLULFQQ-OAHLLOKOSA-N 2 1 299.462 3.481 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)CC1(C)C ZINC000623423956 349804322 /nfs/dbraw/zinc/80/43/22/349804322.db2.gz XWJMDCLJXVRJPH-YJBOKZPZSA-N 2 1 286.463 3.254 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623426606 349805511 /nfs/dbraw/zinc/80/55/11/349805511.db2.gz SULQWWKSIXNOMI-JSGCOSHPSA-N 2 1 280.481 3.450 20 0 CGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1cccs1 ZINC000623430742 349807060 /nfs/dbraw/zinc/80/70/60/349807060.db2.gz CLFNTXKGEUCHBZ-ZIAGYGMSSA-N 2 1 280.481 3.389 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC1(C)C ZINC000623432384 349808135 /nfs/dbraw/zinc/80/81/35/349808135.db2.gz PCVLLHFPADQJSD-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)CC1(C)C ZINC000623503082 349822656 /nfs/dbraw/zinc/82/26/56/349822656.db2.gz LDEJWPSFHGLVJY-KGLIPLIRSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2cccc(F)c2)CC1(C)C ZINC000623490675 349819089 /nfs/dbraw/zinc/81/90/89/349819089.db2.gz SHHNXLCLEIDCDB-INIZCTEOSA-N 2 1 293.430 3.090 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623557594 349833410 /nfs/dbraw/zinc/83/34/10/349833410.db2.gz BKWHPTSCHTXJAA-IQOMPXODSA-N 2 1 298.474 3.356 20 0 CGADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538702 349829385 /nfs/dbraw/zinc/82/93/85/349829385.db2.gz QSJIIYSPYNBXLE-SJLPKXTDSA-N 2 1 290.451 3.011 20 0 CGADMP CCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623560980 349834973 /nfs/dbraw/zinc/83/49/73/349834973.db2.gz YKWAPIQUXBHFHT-INIZCTEOSA-N 2 1 260.425 3.211 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@@H]2CCC[C@@H]21 ZINC000367621750 529806521 /nfs/dbraw/zinc/80/65/21/529806521.db2.gz SYVDCOARGHBVFP-WDSOQIARSA-N 2 1 297.446 3.173 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073103 529808643 /nfs/dbraw/zinc/80/86/43/529808643.db2.gz WHUPDEJGMXRPBX-XWSJACJDSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073103 529808644 /nfs/dbraw/zinc/80/86/44/529808644.db2.gz WHUPDEJGMXRPBX-XWSJACJDSA-N 2 1 284.447 3.206 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073103 529808646 /nfs/dbraw/zinc/80/86/46/529808646.db2.gz WHUPDEJGMXRPBX-XWSJACJDSA-N 2 1 284.447 3.206 20 0 CGADMP Cc1ccc(SCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000351493166 219105058 /nfs/dbraw/zinc/10/50/58/219105058.db2.gz MDYHIFNUQOCAGT-XIRDDKMYSA-N 2 1 290.476 3.065 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1F ZINC000623657223 349858744 /nfs/dbraw/zinc/85/87/44/349858744.db2.gz LOPFFKTZJMZVCV-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1F ZINC000623657223 349858745 /nfs/dbraw/zinc/85/87/45/349858745.db2.gz LOPFFKTZJMZVCV-KGLIPLIRSA-N 2 1 264.388 3.208 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000623657459 349859489 /nfs/dbraw/zinc/85/94/89/349859489.db2.gz RCZQYYXXGXHXQA-AWEZNQCLSA-N 2 1 250.430 3.031 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657346 349859720 /nfs/dbraw/zinc/85/97/20/349859720.db2.gz OJSVMKIYSVTGKD-BBWFWOEESA-N 2 1 264.457 3.300 20 0 CGADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1Cl ZINC000623657572 349860136 /nfs/dbraw/zinc/86/01/36/349860136.db2.gz USGQNULSEGXDDZ-CQSZACIVSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656730 349857737 /nfs/dbraw/zinc/85/77/37/349857737.db2.gz AMICCMVNKOMOMQ-OWCLPIDISA-N 2 1 252.446 3.134 20 0 CGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656864 349858063 /nfs/dbraw/zinc/85/80/63/349858063.db2.gz DKJFYLWDTDWPDR-ZBFHGGJFSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000623853743 349897075 /nfs/dbraw/zinc/89/70/75/349897075.db2.gz GIMUGANANXONFN-SJLPKXTDSA-N 2 1 290.451 3.056 20 0 CGADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351588362 219135889 /nfs/dbraw/zinc/13/58/89/219135889.db2.gz HJFFNHLEPLBELF-CYBMUJFWSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351588362 219135892 /nfs/dbraw/zinc/13/58/92/219135892.db2.gz HJFFNHLEPLBELF-CYBMUJFWSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000351588362 219135896 /nfs/dbraw/zinc/13/58/96/219135896.db2.gz HJFFNHLEPLBELF-CYBMUJFWSA-N 2 1 284.806 3.253 20 0 CGADMP C[NH+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351588362 219135898 /nfs/dbraw/zinc/13/58/98/219135898.db2.gz HJFFNHLEPLBELF-CYBMUJFWSA-N 2 1 284.806 3.253 20 0 CGADMP C[N@H+](Cc1cccc2ccoc21)CC1CC[NH+](C)CC1 ZINC000449021720 529996782 /nfs/dbraw/zinc/99/67/82/529996782.db2.gz DSKROCNFYVQYES-UHFFFAOYSA-N 2 1 272.392 3.206 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423279953 529999530 /nfs/dbraw/zinc/99/95/30/529999530.db2.gz TVAVRGPULNMOCJ-UWVGGRQHSA-N 2 1 275.223 3.500 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000423283096 529999707 /nfs/dbraw/zinc/99/97/07/529999707.db2.gz XCIULRJGUOMIIP-NWDGAFQWSA-N 2 1 286.366 3.103 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000127323276 187296846 /nfs/dbraw/zinc/29/68/46/187296846.db2.gz BUZFZBONEUZXQA-ZDUSSCGKSA-N 2 1 275.371 3.414 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000127323276 187296848 /nfs/dbraw/zinc/29/68/48/187296848.db2.gz BUZFZBONEUZXQA-ZDUSSCGKSA-N 2 1 275.371 3.414 20 0 CGADMP C[C@@H](CC[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044532694 345013110 /nfs/dbraw/zinc/01/31/10/345013110.db2.gz ONNDNBQVQQYRCP-JKSUJKDBSA-N 2 1 260.425 3.112 20 0 CGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000061626956 345230885 /nfs/dbraw/zinc/23/08/85/345230885.db2.gz OSUUBJKAAAFIHQ-MFKMUULPSA-N 2 1 272.314 3.017 20 0 CGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])Nc2ccccc2)C1 ZINC000066244620 345285707 /nfs/dbraw/zinc/28/57/07/345285707.db2.gz ZGKITQCDYWDDQW-CQSZACIVSA-N 2 1 288.439 3.133 20 0 CGADMP CCCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148584 345388860 /nfs/dbraw/zinc/38/88/60/345388860.db2.gz KMIKQJIMYBUPAE-INIZCTEOSA-N 2 1 276.424 3.179 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)ccc1F ZINC000116916454 232184178 /nfs/dbraw/zinc/18/41/78/232184178.db2.gz DRIGPHNQTUTSMI-ZDUSSCGKSA-N 2 1 275.371 3.065 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000295117406 199354100 /nfs/dbraw/zinc/35/41/00/199354100.db2.gz VZLHOAPLYREJIJ-RKVPGOIHSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000295117406 199354102 /nfs/dbraw/zinc/35/41/02/199354102.db2.gz VZLHOAPLYREJIJ-RKVPGOIHSA-N 2 1 272.436 3.428 20 0 CGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000078543246 345612565 /nfs/dbraw/zinc/61/25/65/345612565.db2.gz POUBIYSNSDUVDC-UHFFFAOYSA-N 2 1 278.783 3.284 20 0 CGADMP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000078562950 345613965 /nfs/dbraw/zinc/61/39/65/345613965.db2.gz FPNUJNJOAKXEMD-CYBMUJFWSA-N 2 1 289.448 3.464 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000078562950 345613966 /nfs/dbraw/zinc/61/39/66/345613966.db2.gz FPNUJNJOAKXEMD-CYBMUJFWSA-N 2 1 289.448 3.464 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@H](C)CCc1ccc(O)cc1)C(C)C ZINC000084523726 178897722 /nfs/dbraw/zinc/89/77/22/178897722.db2.gz VULCZGGRZPPLLX-MRXNPFEDSA-N 2 1 292.467 3.422 20 0 CGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000093941487 345892992 /nfs/dbraw/zinc/89/29/92/345892992.db2.gz YREROPGCYIYZAU-LZWOXQAQSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1c[nH]c2ncccc12 ZINC000126605725 346025957 /nfs/dbraw/zinc/02/59/57/346025957.db2.gz FTQPTENETNJWOT-FFHGMXDLSA-N 2 1 298.434 3.229 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1c[nH]c2ncccc12 ZINC000126605725 346025961 /nfs/dbraw/zinc/02/59/61/346025961.db2.gz FTQPTENETNJWOT-FFHGMXDLSA-N 2 1 298.434 3.229 20 0 CGADMP Cc1cc(OCC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1C(C)C ZINC000129068503 346046126 /nfs/dbraw/zinc/04/61/26/346046126.db2.gz XJPZKNNDUGQOPQ-JKSUJKDBSA-N 2 1 290.451 3.309 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+]CCCC3CC3)CC2)cc1 ZINC000135189440 346086299 /nfs/dbraw/zinc/08/62/99/346086299.db2.gz ZHJOWSHWYCINGL-UHFFFAOYSA-N 2 1 272.436 3.431 20 0 CGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000161568392 346175869 /nfs/dbraw/zinc/17/58/69/346175869.db2.gz WXWPGXJMTWHYNH-UHFFFAOYSA-N 2 1 289.467 3.251 20 0 CGADMP CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000166144601 346186222 /nfs/dbraw/zinc/18/62/22/346186222.db2.gz JVWHAZWWDOZZBB-OAHLLOKOSA-N 2 1 280.843 3.408 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000246886547 346365563 /nfs/dbraw/zinc/36/55/63/346365563.db2.gz DCZZPSORQQTXHW-IXDOHACOSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)CC2)CC[N@@H+]1C ZINC000251693120 346389363 /nfs/dbraw/zinc/38/93/63/346389363.db2.gz AXAKQNKXQROTFL-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)CC2)CC[N@H+]1C ZINC000251693120 346389364 /nfs/dbraw/zinc/38/93/64/346389364.db2.gz AXAKQNKXQROTFL-ILXRZTDVSA-N 2 1 252.446 3.418 20 0 CGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000312628063 346477665 /nfs/dbraw/zinc/47/76/65/346477665.db2.gz RPNRIBOXIUDIJB-SJLPKXTDSA-N 2 1 272.436 3.358 20 0 CGADMP CC(C)C1CCC(C[NH2+]CCc2c[nH+]cn2C)CC1 ZINC000401748477 346592830 /nfs/dbraw/zinc/59/28/30/346592830.db2.gz LVEPLFTWLWKAIO-UHFFFAOYSA-N 2 1 263.429 3.015 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1n[nH]c2ccccc21 ZINC000589633584 346803141 /nfs/dbraw/zinc/80/31/41/346803141.db2.gz OIDCDTOATWHQSE-CQSZACIVSA-N 2 1 288.439 3.163 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120095 349976423 /nfs/dbraw/zinc/97/64/23/349976423.db2.gz RGHIRDAEJSNEDH-CVEARBPZSA-N 2 1 290.451 3.468 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120473 349977582 /nfs/dbraw/zinc/97/75/82/349977582.db2.gz ZYGPQFPGDXDGKX-QZTJIDSGSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccnc1 ZINC000624121787 349980704 /nfs/dbraw/zinc/98/07/04/349980704.db2.gz CXGOKBJIYDUMJF-NVXWUHKLSA-N 2 1 275.440 3.244 20 0 CGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000624123052 349981912 /nfs/dbraw/zinc/98/19/12/349981912.db2.gz DVBCLHFYWJNLJT-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000339409414 215153759 /nfs/dbraw/zinc/15/37/59/215153759.db2.gz MFDBWHBIEZVGAN-DOTOQJQBSA-N 2 1 275.440 3.072 20 0 CGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCOC(C)(C)C1 ZINC000351928029 219252097 /nfs/dbraw/zinc/25/20/97/219252097.db2.gz SKGBHPAWHNQQNK-MRXNPFEDSA-N 2 1 293.455 3.251 20 0 CGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCOC(C)(C)C1 ZINC000351928029 219252100 /nfs/dbraw/zinc/25/21/00/219252100.db2.gz SKGBHPAWHNQQNK-MRXNPFEDSA-N 2 1 293.455 3.251 20 0 CGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339428662 215161422 /nfs/dbraw/zinc/16/14/22/215161422.db2.gz RRYVBEJZTZHYLL-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339428662 215161423 /nfs/dbraw/zinc/16/14/23/215161423.db2.gz RRYVBEJZTZHYLL-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339428662 215161425 /nfs/dbraw/zinc/16/14/25/215161425.db2.gz RRYVBEJZTZHYLL-SJLPKXTDSA-N 2 1 272.436 3.474 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC000339440745 215173710 /nfs/dbraw/zinc/17/37/10/215173710.db2.gz YRXRFORLVGEQRE-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC000339440745 215173712 /nfs/dbraw/zinc/17/37/12/215173712.db2.gz YRXRFORLVGEQRE-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000339440745 215173715 /nfs/dbraw/zinc/17/37/15/215173715.db2.gz YRXRFORLVGEQRE-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP COc1cc(C)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000273431847 192147653 /nfs/dbraw/zinc/14/76/53/192147653.db2.gz ZFONTXAZXGPVFY-OAHLLOKOSA-N 2 1 288.435 3.225 20 0 CGADMP CSc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000358035169 233043692 /nfs/dbraw/zinc/04/36/92/233043692.db2.gz NKSMSSPVNFXLGE-GOEBONIOSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000358035169 233043694 /nfs/dbraw/zinc/04/36/94/233043694.db2.gz NKSMSSPVNFXLGE-GOEBONIOSA-N 2 1 290.476 3.325 20 0 CGADMP CSc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000358035169 233043698 /nfs/dbraw/zinc/04/36/98/233043698.db2.gz NKSMSSPVNFXLGE-GOEBONIOSA-N 2 1 290.476 3.325 20 0 CGADMP CC(C)[C@H](C)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)C(C)C ZINC000613628941 348623963 /nfs/dbraw/zinc/62/39/63/348623963.db2.gz BURAMHCDSIYHMR-VNEPOGMYSA-N 2 1 254.462 3.495 20 0 CGADMP Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358477996 233139728 /nfs/dbraw/zinc/13/97/28/233139728.db2.gz AHYGIKVQTUAWGA-TZMCWYRMSA-N 2 1 293.480 3.194 20 0 CGADMP Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358477996 233139732 /nfs/dbraw/zinc/13/97/32/233139732.db2.gz AHYGIKVQTUAWGA-TZMCWYRMSA-N 2 1 293.480 3.194 20 0 CGADMP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000624309480 350023188 /nfs/dbraw/zinc/02/31/88/350023188.db2.gz NWVVKRWUOJNCGO-DHSIGJKJSA-N 2 1 299.418 3.256 20 0 CGADMP COCC[N@@H+](CCC1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC000359185539 233277072 /nfs/dbraw/zinc/27/70/72/233277072.db2.gz FQVOJCMZDPXJBX-MRXNPFEDSA-N 2 1 290.451 3.086 20 0 CGADMP Cc1nccn1[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000628166938 350419150 /nfs/dbraw/zinc/41/91/50/350419150.db2.gz YPCYYBJZIDOTAM-HUUCEWRRSA-N 2 1 279.453 3.114 20 0 CGADMP CC[C@H]1CCCC[C@H]1C[NH2+]CCCn1cc[nH+]c1C ZINC000628205664 350439203 /nfs/dbraw/zinc/43/92/03/350439203.db2.gz YWXBGGODBAJITH-HOTGVXAUSA-N 2 1 263.429 3.388 20 0 CGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190500 350432700 /nfs/dbraw/zinc/43/27/00/350432700.db2.gz IDVRXTBPZOMERR-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190500 350432702 /nfs/dbraw/zinc/43/27/02/350432702.db2.gz IDVRXTBPZOMERR-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190500 350432706 /nfs/dbraw/zinc/43/27/06/350432706.db2.gz IDVRXTBPZOMERR-FUHWJXTLSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628252527 350466231 /nfs/dbraw/zinc/46/62/31/350466231.db2.gz XWLFOMBLXGRHGP-MRXNPFEDSA-N 2 1 271.408 3.084 20 0 CGADMP Cc1ccc([C@H](C)C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000628234543 350456286 /nfs/dbraw/zinc/45/62/86/350456286.db2.gz DMCNOXATJGWEGB-BPQIPLTHSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000628234543 350456290 /nfs/dbraw/zinc/45/62/90/350456290.db2.gz DMCNOXATJGWEGB-BPQIPLTHSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000628234543 350456293 /nfs/dbraw/zinc/45/62/93/350456293.db2.gz DMCNOXATJGWEGB-BPQIPLTHSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000628234543 350456296 /nfs/dbraw/zinc/45/62/96/350456296.db2.gz DMCNOXATJGWEGB-BPQIPLTHSA-N 2 1 272.436 3.125 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000628280108 350475251 /nfs/dbraw/zinc/47/52/51/350475251.db2.gz QMYWDCUFMXDAHD-GOSISDBHSA-N 2 1 297.446 3.332 20 0 CGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280855 350476898 /nfs/dbraw/zinc/47/68/98/350476898.db2.gz MIEQSVRIWDDHIA-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280855 350476900 /nfs/dbraw/zinc/47/69/00/350476900.db2.gz MIEQSVRIWDDHIA-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280855 350476903 /nfs/dbraw/zinc/47/69/03/350476903.db2.gz MIEQSVRIWDDHIA-SJLPKXTDSA-N 2 1 283.419 3.084 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000629531762 350704273 /nfs/dbraw/zinc/70/42/73/350704273.db2.gz XHEHCACFIXNEKG-SNVBAGLBSA-N 2 1 271.355 3.216 20 0 CGADMP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C2CC2)c1 ZINC000629540745 350707848 /nfs/dbraw/zinc/70/78/48/350707848.db2.gz SPBLITMEICDWLS-OLMNPRSZSA-N 2 1 272.436 3.046 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1(c2ccccc2)CCCC1 ZINC000629546654 350710470 /nfs/dbraw/zinc/71/04/70/350710470.db2.gz VMCDJRGLKQUYKT-YQQAZPJKSA-N 2 1 272.436 3.227 20 0 CGADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1c[nH+]ccc1N ZINC000629547397 350710500 /nfs/dbraw/zinc/71/05/00/350710500.db2.gz AAXGOLNMGVXJTQ-SNVBAGLBSA-N 2 1 287.329 3.267 20 0 CGADMP C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000629549757 350710893 /nfs/dbraw/zinc/71/08/93/350710893.db2.gz HXWURHYVZAFQIE-ONGXEEELSA-N 2 1 292.370 3.245 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC000629410470 350690231 /nfs/dbraw/zinc/69/02/31/350690231.db2.gz FHYDEXZNKUTQLD-VJUNAUMWSA-N 2 1 276.399 3.192 20 0 CGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629656945 350731599 /nfs/dbraw/zinc/73/15/99/350731599.db2.gz SDSVBHJGOJCUJD-CMPLNLGQSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629656945 350731602 /nfs/dbraw/zinc/73/16/02/350731602.db2.gz SDSVBHJGOJCUJD-CMPLNLGQSA-N 2 1 292.370 3.016 20 0 CGADMP Cc1cc(C)c(C[N@H+](CCC[NH3+])Cc2ccccc2)c(C)n1 ZINC000631825755 351148938 /nfs/dbraw/zinc/14/89/38/351148938.db2.gz SMWDIBLHLHQOGM-UHFFFAOYSA-N 2 1 297.446 3.358 20 0 CGADMP Cc1cc(C)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(C)n1 ZINC000631825755 351148942 /nfs/dbraw/zinc/14/89/42/351148942.db2.gz SMWDIBLHLHQOGM-UHFFFAOYSA-N 2 1 297.446 3.358 20 0 CGADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000631738409 351132444 /nfs/dbraw/zinc/13/24/44/351132444.db2.gz LORMZBHYEDBIQI-BVUBDWEXSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1scc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000635020125 351632806 /nfs/dbraw/zinc/63/28/06/351632806.db2.gz JVUDVZXJOFIPQA-UONOGXRCSA-N 2 1 252.427 3.115 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(F)c1 ZINC000635011085 351629337 /nfs/dbraw/zinc/62/93/37/351629337.db2.gz MEQNSDVPZBASOW-QWHCGFSZSA-N 2 1 294.414 3.263 20 0 CGADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cn1 ZINC000635012676 351630732 /nfs/dbraw/zinc/63/07/32/351630732.db2.gz VGHKMWDIFIXUNJ-UONOGXRCSA-N 2 1 279.403 3.040 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccccc2)CC[N@@H+]1C ZINC000123442419 187092443 /nfs/dbraw/zinc/09/24/43/187092443.db2.gz UNLLPWJYTUVAIR-DOTOQJQBSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccccc2)CC[N@H+]1C ZINC000123442419 187092444 /nfs/dbraw/zinc/09/24/44/187092444.db2.gz UNLLPWJYTUVAIR-DOTOQJQBSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCc2ccccc2)CC[NH+]1C ZINC000123442419 187092445 /nfs/dbraw/zinc/09/24/45/187092445.db2.gz UNLLPWJYTUVAIR-DOTOQJQBSA-N 2 1 260.425 3.034 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CC[NH+]1C ZINC000123442419 187092446 /nfs/dbraw/zinc/09/24/46/187092446.db2.gz UNLLPWJYTUVAIR-DOTOQJQBSA-N 2 1 260.425 3.034 20 0 CGADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000123583710 187100047 /nfs/dbraw/zinc/10/00/47/187100047.db2.gz SJNNZCHFMPFVMR-CQSZACIVSA-N 2 1 272.392 3.302 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000123972073 187116452 /nfs/dbraw/zinc/11/64/52/187116452.db2.gz LWCQAFPQCIAXJD-ZBFHGGJFSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000123972073 187116453 /nfs/dbraw/zinc/11/64/53/187116453.db2.gz LWCQAFPQCIAXJD-ZBFHGGJFSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCOc2ccc(F)cc2)CC[NH+]1C ZINC000123972073 187116454 /nfs/dbraw/zinc/11/64/54/187116454.db2.gz LWCQAFPQCIAXJD-ZBFHGGJFSA-N 2 1 294.414 3.009 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOc2ccc(F)cc2)CC[NH+]1C ZINC000123972073 187116455 /nfs/dbraw/zinc/11/64/55/187116455.db2.gz LWCQAFPQCIAXJD-ZBFHGGJFSA-N 2 1 294.414 3.009 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000271506848 191182314 /nfs/dbraw/zinc/18/23/14/191182314.db2.gz MTMBSGLWQDJSFR-CHWSQXEVSA-N 2 1 295.390 3.316 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCCCC(F)(F)F)CC1 ZINC000365403497 234101369 /nfs/dbraw/zinc/10/13/69/234101369.db2.gz NBNFFBKSAQBJDS-GFCCVEGCSA-N 2 1 266.351 3.135 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)CC1 ZINC000365403497 234101370 /nfs/dbraw/zinc/10/13/70/234101370.db2.gz NBNFFBKSAQBJDS-GFCCVEGCSA-N 2 1 266.351 3.135 20 0 CGADMP C[C@H]1COCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000195118500 290970241 /nfs/dbraw/zinc/97/02/41/290970241.db2.gz ZSFQLKGJKIMMSY-IRXDYDNUSA-N 2 1 294.483 3.190 20 0 CGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000368088848 234279360 /nfs/dbraw/zinc/27/93/60/234279360.db2.gz IIDBOTSTTLIIDY-GVDBMIGSSA-N 2 1 295.430 3.268 20 0 CGADMP C[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000156091388 188242288 /nfs/dbraw/zinc/24/22/88/188242288.db2.gz AXBRFLXKXQCVOO-BPQIPLTHSA-N 2 1 272.436 3.397 20 0 CGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000156417127 188260944 /nfs/dbraw/zinc/26/09/44/188260944.db2.gz JPSSPIWJYXWXFX-KDOFPFPSSA-N 2 1 299.418 3.400 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000271731753 191294164 /nfs/dbraw/zinc/29/41/64/191294164.db2.gz YPQUWYZFINACKG-HUUCEWRRSA-N 2 1 276.424 3.139 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000271731753 191294166 /nfs/dbraw/zinc/29/41/66/191294166.db2.gz YPQUWYZFINACKG-HUUCEWRRSA-N 2 1 276.424 3.139 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)s1 ZINC000271823894 191348681 /nfs/dbraw/zinc/34/86/81/191348681.db2.gz CRXIVHVMCFPCJL-GFCCVEGCSA-N 2 1 264.438 3.277 20 0 CGADMP Cc1ccc(C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)cc1 ZINC000271822210 191349586 /nfs/dbraw/zinc/34/95/86/191349586.db2.gz CKGZGCJYQSSCOV-IBGZPJMESA-N 2 1 284.447 3.168 20 0 CGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271891770 191393284 /nfs/dbraw/zinc/39/32/84/191393284.db2.gz SCYWINWGEGUFMZ-GJZGRUSLSA-N 2 1 258.409 3.030 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414180362 235356307 /nfs/dbraw/zinc/35/63/07/235356307.db2.gz LYTULJZYWYUDAZ-UONOGXRCSA-N 2 1 266.454 3.439 20 0 CGADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000414135601 235344933 /nfs/dbraw/zinc/34/49/33/235344933.db2.gz CPVOPWAHHJOVSU-HNSVSWJLSA-N 2 1 288.435 3.279 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000414226496 235368812 /nfs/dbraw/zinc/36/88/12/235368812.db2.gz VQKJCZRDUWUIFO-XIRDDKMYSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000414226496 235368813 /nfs/dbraw/zinc/36/88/13/235368813.db2.gz VQKJCZRDUWUIFO-XIRDDKMYSA-N 2 1 272.436 3.428 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)[C@H]2CCC[C@H]21 ZINC000353635068 283135050 /nfs/dbraw/zinc/13/50/50/283135050.db2.gz YDRJNBMNTFPVAG-ILZRDFNYSA-N 2 1 262.441 3.029 20 0 CGADMP CC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000272984383 192007740 /nfs/dbraw/zinc/00/77/40/192007740.db2.gz YPNHGXMLEJJAFZ-FYRJDAGRSA-N 2 1 272.436 3.428 20 0 CGADMP CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000272984383 192007742 /nfs/dbraw/zinc/00/77/42/192007742.db2.gz YPNHGXMLEJJAFZ-FYRJDAGRSA-N 2 1 272.436 3.428 20 0 CGADMP Cc1ccc(COc2ccc(C[NH2+]CC(C)(C)[NH3+])cc2)cc1 ZINC000414808394 235469420 /nfs/dbraw/zinc/46/94/20/235469420.db2.gz SMYFCBCNDBHWTH-UHFFFAOYSA-N 2 1 298.430 3.401 20 0 CGADMP c1ccc(CC[C@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414907595 235493019 /nfs/dbraw/zinc/49/30/19/235493019.db2.gz AQIAVYLTAKPWOJ-KURKYZTESA-N 2 1 272.436 3.130 20 0 CGADMP CCSCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000273710855 192272941 /nfs/dbraw/zinc/27/29/41/192272941.db2.gz KNVJTCTVFNSPRD-UHFFFAOYSA-N 2 1 293.411 3.163 20 0 CGADMP Fc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488253 138346666 /nfs/dbraw/zinc/34/66/66/138346666.db2.gz KEDVSCUZRSIWCG-HYVNUMGLSA-N 2 1 276.399 3.226 20 0 CGADMP C(CC1CCCCC1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000125071209 138379937 /nfs/dbraw/zinc/37/99/37/138379937.db2.gz DQTTVSBLLZSDKL-OAHLLOKOSA-N 2 1 250.430 3.031 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130178553 138399611 /nfs/dbraw/zinc/39/96/11/138399611.db2.gz LREJPAPLFXKBRC-ARFHVFGLSA-N 2 1 288.435 3.281 20 0 CGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130178553 138399612 /nfs/dbraw/zinc/39/96/12/138399612.db2.gz LREJPAPLFXKBRC-ARFHVFGLSA-N 2 1 288.435 3.281 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1csc(-c2ccccc2)n1 ZINC000423223095 236000502 /nfs/dbraw/zinc/00/05/02/236000502.db2.gz DTZBVGVWXVRCRL-NWDGAFQWSA-N 2 1 275.421 3.198 20 0 CGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1N(C)C ZINC000423264294 236013584 /nfs/dbraw/zinc/01/35/84/236013584.db2.gz PUDYTWWHKZFENT-YOEHRIQHSA-N 2 1 289.467 3.311 20 0 CGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423286185 236023398 /nfs/dbraw/zinc/02/33/98/236023398.db2.gz ZUCYQIPFUSKYAN-SASUGWTJSA-N 2 1 284.856 3.220 20 0 CGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000226436189 283280185 /nfs/dbraw/zinc/28/01/85/283280185.db2.gz ZARAXXIRGJJIIG-CRAIPNDOSA-N 2 1 272.436 3.386 20 0 CGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000423320388 236036765 /nfs/dbraw/zinc/03/67/65/236036765.db2.gz GIMIZVLHGQQGKW-KGLIPLIRSA-N 2 1 270.376 3.477 20 0 CGADMP Clc1cccc([C@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423353861 236048311 /nfs/dbraw/zinc/04/83/11/236048311.db2.gz FASJHPNWUMQGEP-CWRNSKLLSA-N 2 1 278.827 3.318 20 0 CGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423365168 236051862 /nfs/dbraw/zinc/05/18/62/236051862.db2.gz PGYITXGWPFHSMK-SIXLDLHFSA-N 2 1 287.451 3.004 20 0 CGADMP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cs1 ZINC000423494999 236086380 /nfs/dbraw/zinc/08/63/80/236086380.db2.gz BGFJLTZNWSXFBV-RISCZKNCSA-N 2 1 252.427 3.225 20 0 CGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000423399765 236064281 /nfs/dbraw/zinc/06/42/81/236064281.db2.gz UYXNKAXVWHMAQR-SOLBZPMBSA-N 2 1 281.403 3.031 20 0 CGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424373929 236157890 /nfs/dbraw/zinc/15/78/90/236157890.db2.gz KHDXVKUIEKVROK-KKXDTOCCSA-N 2 1 299.393 3.137 20 0 CGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000424277464 236140225 /nfs/dbraw/zinc/14/02/25/236140225.db2.gz ALRJFTGWZOERHL-CHWSQXEVSA-N 2 1 272.314 3.065 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@H]5C[C@H]5C4)[C@H]3C2)cc1 ZINC000424347979 236154625 /nfs/dbraw/zinc/15/46/25/236154625.db2.gz KMDNHIMWJMQBCP-MJUPKGCFSA-N 2 1 296.458 3.285 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)cc1 ZINC000424347977 236154907 /nfs/dbraw/zinc/15/49/07/236154907.db2.gz KMDNHIMWJMQBCP-GXUNQHPWSA-N 2 1 296.458 3.285 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCOC1 ZINC000436299214 237074742 /nfs/dbraw/zinc/07/47/42/237074742.db2.gz RKSOLBXYHVKNCI-BQFCYCMXSA-N 2 1 294.483 3.188 20 0 CGADMP c1ccc([C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000297426521 200186768 /nfs/dbraw/zinc/18/67/68/200186768.db2.gz MWAINPYZJFUAAD-IBGZPJMESA-N 2 1 284.447 3.397 20 0 CGADMP CC(C)CCC[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000341800230 216110044 /nfs/dbraw/zinc/11/00/44/216110044.db2.gz QQAYKOWRKXUHKT-UHFFFAOYSA-N 2 1 290.451 3.045 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000177226355 189038418 /nfs/dbraw/zinc/03/84/18/189038418.db2.gz FTQLAEJWNKVFFZ-HNNXBMFYSA-N 2 1 272.436 3.348 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2cccc3ccccc32)CC[N@H+]1C ZINC000177984038 189082671 /nfs/dbraw/zinc/08/26/71/189082671.db2.gz GJTVQMPWQPSELI-MAUKXSAKSA-N 2 1 282.431 3.455 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)o1 ZINC000178707095 189138589 /nfs/dbraw/zinc/13/85/89/189138589.db2.gz MTYJOPSFHQZQJV-DGCLKSJQSA-N 2 1 261.369 3.080 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(Cl)c2)CC[N@H+]1C ZINC000180462767 189256642 /nfs/dbraw/zinc/25/66/42/189256642.db2.gz TVTPHANYPPODMY-CJNGLKHVSA-N 2 1 280.843 3.345 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl ZINC000181182003 189290414 /nfs/dbraw/zinc/29/04/14/189290414.db2.gz ORDXWVOXARXCTR-MCIONIFRSA-N 2 1 296.842 3.180 20 0 CGADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)ccc1F ZINC000342319667 216309146 /nfs/dbraw/zinc/30/91/46/216309146.db2.gz NKHPQNDBYWLJSK-HIFRSBDPSA-N 2 1 264.388 3.269 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(C)(C)C ZINC000449076510 239160263 /nfs/dbraw/zinc/16/02/63/239160263.db2.gz TWPPUUCUYPHVJT-CHWSQXEVSA-N 2 1 251.418 3.242 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000449079789 239162698 /nfs/dbraw/zinc/16/26/98/239162698.db2.gz QAFRIFATCPCOHN-KFWWJZLASA-N 2 1 264.413 3.063 20 0 CGADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000449079789 239162704 /nfs/dbraw/zinc/16/27/04/239162704.db2.gz QAFRIFATCPCOHN-KFWWJZLASA-N 2 1 264.413 3.063 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)cc(F)c1 ZINC000449082899 239167028 /nfs/dbraw/zinc/16/70/28/239167028.db2.gz QOVUNAYGJNGJDI-DQYPLSBCSA-N 2 1 294.389 3.285 20 0 CGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc(F)c1 ZINC000449082899 239167032 /nfs/dbraw/zinc/16/70/32/239167032.db2.gz QOVUNAYGJNGJDI-DQYPLSBCSA-N 2 1 294.389 3.285 20 0 CGADMP Cc1ccc2[nH+]ccc(N(C)C[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC000302141760 201361609 /nfs/dbraw/zinc/36/16/09/201361609.db2.gz FGZNPGCLIZANME-HNNXBMFYSA-N 2 1 283.419 3.321 20 0 CGADMP C[C@H]1[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000494927191 291309921 /nfs/dbraw/zinc/30/99/21/291309921.db2.gz YWNTUSFPINDTNZ-DMRKSPOLSA-N 2 1 266.473 3.379 20 0 CGADMP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000450728710 240057965 /nfs/dbraw/zinc/05/79/65/240057965.db2.gz PSYJSAUSTMWWEU-HZPDHXFCSA-N 2 1 287.451 3.133 20 0 CGADMP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000450728710 240057967 /nfs/dbraw/zinc/05/79/67/240057967.db2.gz PSYJSAUSTMWWEU-HZPDHXFCSA-N 2 1 287.451 3.133 20 0 CGADMP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1Cl ZINC000450913101 240149927 /nfs/dbraw/zinc/14/99/27/240149927.db2.gz YETYYLDVMIIFSS-UHFFFAOYSA-N 2 1 296.842 3.266 20 0 CGADMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1Cl ZINC000450913101 240149930 /nfs/dbraw/zinc/14/99/30/240149930.db2.gz YETYYLDVMIIFSS-UHFFFAOYSA-N 2 1 296.842 3.266 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451002880 240188681 /nfs/dbraw/zinc/18/86/81/240188681.db2.gz KGBHEIAXYJABBA-GOSISDBHSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451002880 240188685 /nfs/dbraw/zinc/18/86/85/240188685.db2.gz KGBHEIAXYJABBA-GOSISDBHSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451002880 240188691 /nfs/dbraw/zinc/18/86/91/240188691.db2.gz KGBHEIAXYJABBA-GOSISDBHSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]1(C)CC(C)C ZINC000451292678 240266566 /nfs/dbraw/zinc/26/65/66/240266566.db2.gz UNRSKNAAVWTOMV-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]1(C)CC(C)C ZINC000451292678 240266572 /nfs/dbraw/zinc/26/65/72/240266572.db2.gz UNRSKNAAVWTOMV-INIZCTEOSA-N 2 1 263.429 3.482 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1Cl ZINC000275353224 193008172 /nfs/dbraw/zinc/00/81/72/193008172.db2.gz AERCOTSACKCODP-QWHCGFSZSA-N 2 1 289.810 3.450 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275418817 193029573 /nfs/dbraw/zinc/02/95/73/193029573.db2.gz BTNPNRRXGBUSRM-HKUYNNGSSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000121242974 370843626 /nfs/dbraw/zinc/84/36/26/370843626.db2.gz SFRPXQJHXNGRJT-RYRKJORJSA-N 2 1 299.462 3.350 20 0 CGADMP C[C@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000459633659 242155634 /nfs/dbraw/zinc/15/56/34/242155634.db2.gz DPTNKFSUENGOBA-SJLPKXTDSA-N 2 1 289.467 3.257 20 0 CGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Cl)s2)C1 ZINC000459739176 242200597 /nfs/dbraw/zinc/20/05/97/242200597.db2.gz SFYTUWPTXGIBSJ-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000459770756 242223602 /nfs/dbraw/zinc/22/36/02/242223602.db2.gz HSYYCLUHBWDUOC-KBPBESRZSA-N 2 1 296.405 3.390 20 0 CGADMP C[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459782586 242230904 /nfs/dbraw/zinc/23/09/04/242230904.db2.gz MRJGYQOPWHWVFA-SJLPKXTDSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459793109 242236908 /nfs/dbraw/zinc/23/69/08/242236908.db2.gz SUHVUKYLAULFJH-MSOLQXFVSA-N 2 1 274.452 3.329 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000462747264 242360686 /nfs/dbraw/zinc/36/06/86/242360686.db2.gz CLSRILJBJYUFTB-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000462747264 242360690 /nfs/dbraw/zinc/36/06/90/242360690.db2.gz CLSRILJBJYUFTB-HRCADAONSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480691987 243161384 /nfs/dbraw/zinc/16/13/84/243161384.db2.gz XPERFKKATJNMRW-ZBFHGGJFSA-N 2 1 264.457 3.443 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000481032302 243174488 /nfs/dbraw/zinc/17/44/88/243174488.db2.gz DDWJLTHRLKXBTA-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000481032302 243174491 /nfs/dbraw/zinc/17/44/91/243174491.db2.gz DDWJLTHRLKXBTA-ZFWWWQNUSA-N 2 1 252.446 3.275 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCC[C@H]1C ZINC000449086251 299387747 /nfs/dbraw/zinc/38/77/47/299387747.db2.gz BLCADQFLKGAPSW-JJTUDDRGSA-N 2 1 264.457 3.418 20 0 CGADMP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019914634 368783882 /nfs/dbraw/zinc/78/38/82/368783882.db2.gz YBQQCZUPSJZQNV-HNNXBMFYSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(Br)c1 ZINC000019958374 368788714 /nfs/dbraw/zinc/78/87/14/368788714.db2.gz SLFHIFWSSYMQMP-LLVKDONJSA-N 2 1 285.229 3.051 20 0 CGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908179 369036636 /nfs/dbraw/zinc/03/66/36/369036636.db2.gz IXDJTMHCCFPVMH-BZPMIXESSA-N 2 1 298.377 3.106 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908179 369036640 /nfs/dbraw/zinc/03/66/40/369036640.db2.gz IXDJTMHCCFPVMH-BZPMIXESSA-N 2 1 298.377 3.106 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC000037740011 369102876 /nfs/dbraw/zinc/10/28/76/369102876.db2.gz CKQZBVIFBMKXRZ-YCPHGPKFSA-N 2 1 252.446 3.275 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000037644264 369095670 /nfs/dbraw/zinc/09/56/70/369095670.db2.gz NXEGCARUFVFBSK-RYUDHWBXSA-N 2 1 284.806 3.472 20 0 CGADMP c1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000037648897 369095929 /nfs/dbraw/zinc/09/59/29/369095929.db2.gz DXXIPEHDMAFLAU-OOHWJJMZSA-N 2 1 270.420 3.007 20 0 CGADMP Fc1cccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000037648911 369095974 /nfs/dbraw/zinc/09/59/74/369095974.db2.gz ZDLMBJJYBKZJPQ-KTAKPFMOSA-N 2 1 288.410 3.146 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)o1 ZINC000038041616 369142567 /nfs/dbraw/zinc/14/25/67/369142567.db2.gz ILXHWEITZRZZDQ-HIFRSBDPSA-N 2 1 264.413 3.361 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc2[nH]ccc21 ZINC000494105431 244262292 /nfs/dbraw/zinc/26/22/92/244262292.db2.gz IKSQKQIDQWASPT-HNNXBMFYSA-N 2 1 271.408 3.084 20 0 CGADMP Cc1cscc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000494453854 244289652 /nfs/dbraw/zinc/28/96/52/244289652.db2.gz KJPLYIOZJYSWBA-UHFFFAOYSA-N 2 1 266.454 3.409 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000276356980 193298836 /nfs/dbraw/zinc/29/88/36/193298836.db2.gz MFMLAUAUOXSFKK-CYBMUJFWSA-N 2 1 289.427 3.018 20 0 CGADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000061328695 369598473 /nfs/dbraw/zinc/59/84/73/369598473.db2.gz JWGSXFUUTQVWDP-AWEZNQCLSA-N 2 1 264.438 3.199 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000070074102 369779485 /nfs/dbraw/zinc/77/94/85/369779485.db2.gz PESCGOBHOYBVJN-LBPRGKRZSA-N 2 1 286.341 3.266 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169652 369786349 /nfs/dbraw/zinc/78/63/49/369786349.db2.gz FJAFFGIWGAHNBS-OAHLLOKOSA-N 2 1 276.424 3.035 20 0 CGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000507499365 244840623 /nfs/dbraw/zinc/84/06/23/244840623.db2.gz YVBRHIPKOYEPOG-YYIAUSFCSA-N 2 1 296.499 3.148 20 0 CGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089428379 370042476 /nfs/dbraw/zinc/04/24/76/370042476.db2.gz NDJOTPNDDJRAAC-ZVZYQTTQSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000089428379 370042478 /nfs/dbraw/zinc/04/24/78/370042478.db2.gz NDJOTPNDDJRAAC-ZVZYQTTQSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000089428379 370042481 /nfs/dbraw/zinc/04/24/81/370042481.db2.gz NDJOTPNDDJRAAC-ZVZYQTTQSA-N 2 1 290.426 3.488 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000090720706 370065263 /nfs/dbraw/zinc/06/52/63/370065263.db2.gz TVMCLYMLGZLLDJ-PWSUYJOCSA-N 2 1 270.779 3.051 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000090720706 370065266 /nfs/dbraw/zinc/06/52/66/370065266.db2.gz TVMCLYMLGZLLDJ-PWSUYJOCSA-N 2 1 270.779 3.051 20 0 CGADMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043027 370089742 /nfs/dbraw/zinc/08/97/42/370089742.db2.gz VXVFJOOZLAYKRE-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043027 370089745 /nfs/dbraw/zinc/08/97/45/370089745.db2.gz VXVFJOOZLAYKRE-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043027 370089748 /nfs/dbraw/zinc/08/97/48/370089748.db2.gz VXVFJOOZLAYKRE-AEFFLSMTSA-N 2 1 288.435 3.001 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000092799312 370102221 /nfs/dbraw/zinc/10/22/21/370102221.db2.gz XRUAFYADRIKAJC-KLHDSHLOSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000092799312 370102223 /nfs/dbraw/zinc/10/22/23/370102223.db2.gz XRUAFYADRIKAJC-KLHDSHLOSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000092799312 370102227 /nfs/dbraw/zinc/10/22/27/370102227.db2.gz XRUAFYADRIKAJC-KLHDSHLOSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@@H]1CCC[C@@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000092799312 370102229 /nfs/dbraw/zinc/10/22/29/370102229.db2.gz XRUAFYADRIKAJC-KLHDSHLOSA-N 2 1 252.446 3.227 20 0 CGADMP CC(C)CCn1cccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089416 370108808 /nfs/dbraw/zinc/10/88/08/370108808.db2.gz PDGLBLQKMZCASJ-UHFFFAOYSA-N 2 1 291.483 3.308 20 0 CGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000093093416 370108984 /nfs/dbraw/zinc/10/89/84/370108984.db2.gz SKRUUFVFXMNALJ-UHFFFAOYSA-N 2 1 272.845 3.366 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(C)ccc1OC ZINC000093399173 370122366 /nfs/dbraw/zinc/12/23/66/370122366.db2.gz KOOARLQPIYCFPJ-WBVHZDCISA-N 2 1 290.451 3.386 20 0 CGADMP C([C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1)[NH+]1CCCCCC1 ZINC000103229800 370322507 /nfs/dbraw/zinc/32/25/07/370322507.db2.gz FTCUAXCDVLRZDB-MSOLQXFVSA-N 2 1 294.483 3.144 20 0 CGADMP COC[C@H](CC(C)C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512331882 245032299 /nfs/dbraw/zinc/03/22/99/245032299.db2.gz LVUYNFDRFPOIPO-ZACQAIPSSA-N 2 1 296.499 3.290 20 0 CGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000113516076 370476461 /nfs/dbraw/zinc/47/64/61/370476461.db2.gz ZCFMSVHSDXVSLQ-ZDUSSCGKSA-N 2 1 274.433 3.285 20 0 CGADMP Cc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000131933683 371140670 /nfs/dbraw/zinc/14/06/70/371140670.db2.gz QHVHEIXTTWFRKO-DLBZAZTESA-N 2 1 252.361 3.229 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000131448144 371108874 /nfs/dbraw/zinc/10/88/74/371108874.db2.gz KXIBWODILSLUHY-INIZCTEOSA-N 2 1 276.424 3.222 20 0 CGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc2ccccc12 ZINC000131713493 371125617 /nfs/dbraw/zinc/12/56/17/371125617.db2.gz LROOWQLGUCRAIK-NWDGAFQWSA-N 2 1 260.406 3.070 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)CC[N@H+]1C ZINC000132084904 371150688 /nfs/dbraw/zinc/15/06/88/371150688.db2.gz LTOMBYUONDJUON-WMLDXEAASA-N 2 1 290.426 3.320 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000133639106 371268088 /nfs/dbraw/zinc/26/80/88/371268088.db2.gz OKDNIKYVSFDDCV-XUJVJEKNSA-N 2 1 298.377 3.106 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000134154982 371307753 /nfs/dbraw/zinc/30/77/53/371307753.db2.gz VLZIYIZLLCKARV-FRFSOERESA-N 2 1 275.440 3.410 20 0 CGADMP Cc1nccn1CCC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000136311295 371473575 /nfs/dbraw/zinc/47/35/75/371473575.db2.gz SSUYYSKCJCDOMA-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000136311295 371473579 /nfs/dbraw/zinc/47/35/79/371473579.db2.gz SSUYYSKCJCDOMA-UHFFFAOYSA-N 2 1 294.402 3.262 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000149243681 371527844 /nfs/dbraw/zinc/52/78/44/371527844.db2.gz XMXMCNHPGQRVJD-LSDHHAIUSA-N 2 1 276.424 3.220 20 0 CGADMP COc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000149243681 371527845 /nfs/dbraw/zinc/52/78/45/371527845.db2.gz XMXMCNHPGQRVJD-LSDHHAIUSA-N 2 1 276.424 3.220 20 0 CGADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000149416489 371527849 /nfs/dbraw/zinc/52/78/49/371527849.db2.gz JDBHVWOWMIFSQH-KRWDZBQOSA-N 2 1 276.399 3.277 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000149469404 371529506 /nfs/dbraw/zinc/52/95/06/371529506.db2.gz UAFLAWTYSWHNII-KRWDZBQOSA-N 2 1 274.383 3.029 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344029876 217018215 /nfs/dbraw/zinc/01/82/15/217018215.db2.gz CPOCRGWIMUXUPN-CXAGYDPISA-N 2 1 276.399 3.135 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCF)CC[N@@H+]1Cc1ccccc1 ZINC000151559134 371613184 /nfs/dbraw/zinc/61/31/84/371613184.db2.gz DJAPIAHQQXCWMJ-DOTOQJQBSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@H]1C[C@H]([NH+](C)CCCF)CC[N@H+]1Cc1ccccc1 ZINC000151559134 371613188 /nfs/dbraw/zinc/61/31/88/371613188.db2.gz DJAPIAHQQXCWMJ-DOTOQJQBSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@H]1C[C@H]([N@H+](C)CCCF)CC[NH+]1Cc1ccccc1 ZINC000151559134 371613194 /nfs/dbraw/zinc/61/31/94/371613194.db2.gz DJAPIAHQQXCWMJ-DOTOQJQBSA-N 2 1 278.415 3.331 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCCF)CC[NH+]1Cc1ccccc1 ZINC000151559134 371613199 /nfs/dbraw/zinc/61/31/99/371613199.db2.gz DJAPIAHQQXCWMJ-DOTOQJQBSA-N 2 1 278.415 3.331 20 0 CGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000421839588 371662849 /nfs/dbraw/zinc/66/28/49/371662849.db2.gz XUAKYIGVCSMPDW-LBPRGKRZSA-N 2 1 294.826 3.261 20 0 CGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCCC1 ZINC000421840006 371663341 /nfs/dbraw/zinc/66/33/41/371663341.db2.gz ZHZXUPIBFJLKAB-DLBZAZTESA-N 2 1 296.499 3.292 20 0 CGADMP C(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152796612 371724518 /nfs/dbraw/zinc/72/45/18/371724518.db2.gz MNIKJTDRPKRJHG-TVFCKZIOSA-N 2 1 276.468 3.230 20 0 CGADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422717025 371765016 /nfs/dbraw/zinc/76/50/16/371765016.db2.gz NZWKCNPEQDNUSQ-JKSUJKDBSA-N 2 1 276.424 3.223 20 0 CGADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000422735938 371774242 /nfs/dbraw/zinc/77/42/42/371774242.db2.gz FPLKIHWOONPQTG-GOEBONIOSA-N 2 1 287.432 3.034 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000337327320 214009486 /nfs/dbraw/zinc/00/94/86/214009486.db2.gz DCYGOOGCSWWKQR-IXDOHACOSA-N 2 1 284.488 3.148 20 0 CGADMP Cc1ccc([C@@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422771552 371797442 /nfs/dbraw/zinc/79/74/42/371797442.db2.gz VYJPIMDXDNWFAY-KBPBESRZSA-N 2 1 269.392 3.257 20 0 CGADMP COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422776243 371798860 /nfs/dbraw/zinc/79/88/60/371798860.db2.gz CJRPOGQJWSWETE-KGLIPLIRSA-N 2 1 299.418 3.347 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)c1ccccc1)c1c[nH+]ccc1N ZINC000422838092 371833990 /nfs/dbraw/zinc/83/39/90/371833990.db2.gz WATZQPHQRMSBRO-ZDUSSCGKSA-N 2 1 269.392 3.123 20 0 CGADMP CCN(CCC[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422792710 371811641 /nfs/dbraw/zinc/81/16/41/371811641.db2.gz WDQTXFIIFGTFPI-HNNXBMFYSA-N 2 1 298.434 3.061 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000422798438 371816472 /nfs/dbraw/zinc/81/64/72/371816472.db2.gz RBYABKQZUCEGOA-MKBNYLNASA-N 2 1 282.378 3.189 20 0 CGADMP Cc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1F ZINC000422797344 371816845 /nfs/dbraw/zinc/81/68/45/371816845.db2.gz MEAUOYXHVOYEEA-KSSFIOAISA-N 2 1 286.394 3.182 20 0 CGADMP Clc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422946501 371884906 /nfs/dbraw/zinc/88/49/06/371884906.db2.gz OYBOPMCTOHUHSU-OUEWMDHJSA-N 2 1 292.810 3.036 20 0 CGADMP c1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000422868581 371846966 /nfs/dbraw/zinc/84/69/66/371846966.db2.gz VNXCVLUTRCEZOQ-HZPDHXFCSA-N 2 1 272.417 3.331 20 0 CGADMP CSc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422877522 371850308 /nfs/dbraw/zinc/85/03/08/371850308.db2.gz HZAASFBOOACFJE-CABCVRRESA-N 2 1 264.438 3.158 20 0 CGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422877997 371850413 /nfs/dbraw/zinc/85/04/13/371850413.db2.gz INCRUODSUGBKGU-OALUTQOASA-N 2 1 296.414 3.235 20 0 CGADMP C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422909727 371863322 /nfs/dbraw/zinc/86/33/22/371863322.db2.gz OWRBGNSZXWYTLT-GOEBONIOSA-N 2 1 290.476 3.432 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)c1c[nH+]ccc1N ZINC000422920463 371869466 /nfs/dbraw/zinc/86/94/66/371869466.db2.gz MDAOZPSTCAUUGJ-DETPVDSQSA-N 2 1 259.397 3.114 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1c(F)cccc1Cl ZINC000289991370 371872813 /nfs/dbraw/zinc/87/28/13/371872813.db2.gz KKYKWSQVXPIBKD-JTQLQIEISA-N 2 1 281.762 3.106 20 0 CGADMP Cc1cccc(C)c1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422944423 371882794 /nfs/dbraw/zinc/88/27/94/371882794.db2.gz SAVDLBCEIVZBBG-CQSZACIVSA-N 2 1 269.392 3.004 20 0 CGADMP C[C@H]([NH2+]CCCc1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000422950240 371888294 /nfs/dbraw/zinc/88/82/94/371888294.db2.gz XOUZCOPJSRXIIG-LBPRGKRZSA-N 2 1 289.810 3.431 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000422953969 371890315 /nfs/dbraw/zinc/89/03/15/371890315.db2.gz GSGLOHDMNMQQMN-DCAQKATOSA-N 2 1 286.341 3.143 20 0 CGADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422958580 371891151 /nfs/dbraw/zinc/89/11/51/371891151.db2.gz PNRJBRFCIGBHEW-SIXLDLHFSA-N 2 1 258.409 3.258 20 0 CGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000344102918 217052004 /nfs/dbraw/zinc/05/20/04/217052004.db2.gz FYRZORAYBXCVHH-SUMWQHHRSA-N 2 1 286.419 3.214 20 0 CGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423013291 371915131 /nfs/dbraw/zinc/91/51/31/371915131.db2.gz MMRNMUYMLFAOBD-WFASDCNBSA-N 2 1 296.842 3.011 20 0 CGADMP CSc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423100672 371965610 /nfs/dbraw/zinc/96/56/10/371965610.db2.gz VKYFXPPPJAFNDP-GFCCVEGCSA-N 2 1 287.432 3.109 20 0 CGADMP Cc1ccc(C2(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000423145255 371990387 /nfs/dbraw/zinc/99/03/87/371990387.db2.gz JVFATTJEQJGJKB-RDJZCZTQSA-N 2 1 272.436 3.065 20 0 CGADMP [NH3+][C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCSC3)C2)c2ccccc21 ZINC000423168191 371999532 /nfs/dbraw/zinc/99/95/32/371999532.db2.gz XOQMNSFIUOSGHF-BRWVUGGUSA-N 2 1 288.460 3.350 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)c1ccc(F)cc1 ZINC000290488546 372000526 /nfs/dbraw/zinc/00/05/26/372000526.db2.gz OLCWDUQMECIYCA-UWWQBHOKSA-N 2 1 290.426 3.345 20 0 CGADMP c1ccc2c(c1)CSC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318670 541864333 /nfs/dbraw/zinc/86/43/33/541864333.db2.gz CGKVALWENDMAJG-QGZVFWFLSA-N 2 1 288.460 3.191 20 0 CGADMP CC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188219 372015239 /nfs/dbraw/zinc/01/52/39/372015239.db2.gz NGTJGMPOVOSWCT-IRXDYDNUSA-N 2 1 275.440 3.120 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1C(C)(C)C1(C)C ZINC000423190631 372016519 /nfs/dbraw/zinc/01/65/19/372016519.db2.gz REFPWCZHUDJVBS-CQSZACIVSA-N 2 1 289.467 3.222 20 0 CGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423194987 372019318 /nfs/dbraw/zinc/01/93/18/372019318.db2.gz ZZJSNIJSESPOFX-IBGZPJMESA-N 2 1 295.430 3.147 20 0 CGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000157407523 372019830 /nfs/dbraw/zinc/01/98/30/372019830.db2.gz OBXIIQYNZYZSBH-OAHLLOKOSA-N 2 1 260.425 3.206 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000157407523 372019837 /nfs/dbraw/zinc/01/98/37/372019837.db2.gz OBXIIQYNZYZSBH-OAHLLOKOSA-N 2 1 260.425 3.206 20 0 CGADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000423222569 372039746 /nfs/dbraw/zinc/03/97/46/372039746.db2.gz BRGGAXOJLCYIFY-UONOGXRCSA-N 2 1 285.391 3.262 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CSCCc2ccccc21 ZINC000423303543 372049821 /nfs/dbraw/zinc/04/98/21/372049821.db2.gz XFRHGZRGIUAGJR-HOCLYGCPSA-N 2 1 278.465 3.124 20 0 CGADMP FCCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183357 372010865 /nfs/dbraw/zinc/01/08/65/372010865.db2.gz GLQGKWHBCDIIGM-DLBZAZTESA-N 2 1 293.430 3.069 20 0 CGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1F ZINC000423185958 372012938 /nfs/dbraw/zinc/01/29/38/372012938.db2.gz KHBJMYZPKLQYFJ-CQSZACIVSA-N 2 1 287.382 3.051 20 0 CGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184484 372012979 /nfs/dbraw/zinc/01/29/79/372012979.db2.gz IDJLPCKBMKCFBE-KXBFYZLASA-N 2 1 295.430 3.084 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423468473 372067307 /nfs/dbraw/zinc/06/73/07/372067307.db2.gz OKFNMXKUUKOZBX-IEBWSBKVSA-N 2 1 298.430 3.306 20 0 CGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000423489496 372068739 /nfs/dbraw/zinc/06/87/39/372068739.db2.gz XGPIOTRXTNYJNP-KGLIPLIRSA-N 2 1 286.410 3.324 20 0 CGADMP CC(C)[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158569714 372074129 /nfs/dbraw/zinc/07/41/29/372074129.db2.gz GMLDXZFNVIXNBR-XHSDSOJGSA-N 2 1 254.462 3.379 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292871236 372233094 /nfs/dbraw/zinc/23/30/94/372233094.db2.gz WMYNXMKRAKAMGT-QAPCUYQASA-N 2 1 290.426 3.174 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292871236 372233100 /nfs/dbraw/zinc/23/31/00/372233100.db2.gz WMYNXMKRAKAMGT-QAPCUYQASA-N 2 1 290.426 3.174 20 0 CGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292871236 372233103 /nfs/dbraw/zinc/23/31/03/372233103.db2.gz WMYNXMKRAKAMGT-QAPCUYQASA-N 2 1 290.426 3.174 20 0 CGADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293097409 372297726 /nfs/dbraw/zinc/29/77/26/372297726.db2.gz XNVZUFNWIZZDMW-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293097409 372297729 /nfs/dbraw/zinc/29/77/29/372297729.db2.gz XNVZUFNWIZZDMW-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293097409 372297733 /nfs/dbraw/zinc/29/77/33/372297733.db2.gz XNVZUFNWIZZDMW-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293097409 372297736 /nfs/dbraw/zinc/29/77/36/372297736.db2.gz XNVZUFNWIZZDMW-SFHVURJKSA-N 2 1 288.435 3.003 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000161585693 372338288 /nfs/dbraw/zinc/33/82/88/372338288.db2.gz UFUYFRNCWWZREA-BBRMVZONSA-N 2 1 292.854 3.301 20 0 CGADMP CCOc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000161896533 372359413 /nfs/dbraw/zinc/35/94/13/372359413.db2.gz MINYGLKPDVEANU-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP CCOc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000161896533 372359418 /nfs/dbraw/zinc/35/94/18/372359418.db2.gz MINYGLKPDVEANU-UHFFFAOYSA-N 2 1 287.407 3.112 20 0 CGADMP Cc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000429014054 372303363 /nfs/dbraw/zinc/30/33/63/372303363.db2.gz XVAQNXNHRUVZOS-GOSISDBHSA-N 2 1 272.436 3.139 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000429014054 372303367 /nfs/dbraw/zinc/30/33/67/372303367.db2.gz XVAQNXNHRUVZOS-GOSISDBHSA-N 2 1 272.436 3.139 20 0 CGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000429014054 372303374 /nfs/dbraw/zinc/30/33/74/372303374.db2.gz XVAQNXNHRUVZOS-GOSISDBHSA-N 2 1 272.436 3.139 20 0 CGADMP COC1(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000429525048 372372504 /nfs/dbraw/zinc/37/25/04/372372504.db2.gz ZMJKROLQDSYZIX-IAGOWNOFSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)(C)c1ccc(OCCC[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430920974 372404820 /nfs/dbraw/zinc/40/48/20/372404820.db2.gz WTRJZPULRQSJEI-OAHLLOKOSA-N 2 1 290.451 3.034 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000162614563 372405070 /nfs/dbraw/zinc/40/50/70/372405070.db2.gz OFYALGFYINZMNR-BEFAXECRSA-N 2 1 282.431 3.455 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000163278633 372459720 /nfs/dbraw/zinc/45/97/20/372459720.db2.gz ANQGQAWHAVVLPK-PMPSAXMXSA-N 2 1 290.451 3.119 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)C1 ZINC000163296751 372459870 /nfs/dbraw/zinc/45/98/70/372459870.db2.gz HFCLPQJYFFJURY-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)C1 ZINC000163296751 372459878 /nfs/dbraw/zinc/45/98/78/372459878.db2.gz HFCLPQJYFFJURY-STQMWFEESA-N 2 1 296.842 3.341 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000165322868 372549783 /nfs/dbraw/zinc/54/97/83/372549783.db2.gz SNVPPHCZDKFNCS-FUHWJXTLSA-N 2 1 298.430 3.495 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000165322868 372549790 /nfs/dbraw/zinc/54/97/90/372549790.db2.gz SNVPPHCZDKFNCS-FUHWJXTLSA-N 2 1 298.430 3.495 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166166291 372566297 /nfs/dbraw/zinc/56/62/97/372566297.db2.gz JUAWRTYDPMMRQW-CYBMUJFWSA-N 2 1 280.481 3.477 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166166291 372566305 /nfs/dbraw/zinc/56/63/05/372566305.db2.gz JUAWRTYDPMMRQW-CYBMUJFWSA-N 2 1 280.481 3.477 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000166211244 372566530 /nfs/dbraw/zinc/56/65/30/372566530.db2.gz IGIOJJDBFZJUHI-CRAIPNDOSA-N 2 1 272.436 3.304 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC000166322634 372569351 /nfs/dbraw/zinc/56/93/51/372569351.db2.gz UJLXEZZMFJVJIT-WBAXXEDZSA-N 2 1 272.436 3.080 20 0 CGADMP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@H+]1C ZINC000166322634 372569358 /nfs/dbraw/zinc/56/93/58/372569358.db2.gz UJLXEZZMFJVJIT-WBAXXEDZSA-N 2 1 272.436 3.080 20 0 CGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000294176806 372604376 /nfs/dbraw/zinc/60/43/76/372604376.db2.gz JVDHPNXAGLRZFC-STQMWFEESA-N 2 1 264.438 3.191 20 0 CGADMP CC[C@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435446034 372765178 /nfs/dbraw/zinc/76/51/78/372765178.db2.gz IWKMYUDYMKLYBO-NVXWUHKLSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000435374882 372754087 /nfs/dbraw/zinc/75/40/87/372754087.db2.gz RXCDNXUHHJGGOP-ZIAGYGMSSA-N 2 1 270.376 3.116 20 0 CGADMP CC[N@H+](Cc1cnc(C(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435386857 372756311 /nfs/dbraw/zinc/75/63/11/372756311.db2.gz VRZIJRBGIQNUBZ-CYBMUJFWSA-N 2 1 281.469 3.231 20 0 CGADMP CC[N@@H+](Cc1cnc(C(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435386857 372756318 /nfs/dbraw/zinc/75/63/18/372756318.db2.gz VRZIJRBGIQNUBZ-CYBMUJFWSA-N 2 1 281.469 3.231 20 0 CGADMP CC[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435381306 372756838 /nfs/dbraw/zinc/75/68/38/372756838.db2.gz SOIIVTQSRNNAGZ-AWEZNQCLSA-N 2 1 298.377 3.252 20 0 CGADMP CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435618022 372785050 /nfs/dbraw/zinc/78/50/50/372785050.db2.gz PCKXWFMUYRPXTD-GVDBMIGSSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@@H+](CCSc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435626385 372787607 /nfs/dbraw/zinc/78/76/07/372787607.db2.gz OGARCHMSBMRVCH-HNNXBMFYSA-N 2 1 278.465 3.243 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000435748703 372803759 /nfs/dbraw/zinc/80/37/59/372803759.db2.gz PNNOYVCDQYHUJX-BBRMVZONSA-N 2 1 250.430 3.172 20 0 CGADMP C(C[C@@H]1CCOC1)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000438209757 372912491 /nfs/dbraw/zinc/91/24/91/372912491.db2.gz SVULVLQVTAYYBA-QZTJIDSGSA-N 2 1 294.483 3.047 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000438214747 372914306 /nfs/dbraw/zinc/91/43/06/372914306.db2.gz KRWDNXKYWLVPJV-QGZVFWFLSA-N 2 1 290.451 3.167 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645108 373001814 /nfs/dbraw/zinc/00/18/14/373001814.db2.gz LRKUDMXXWFQSAB-HUUCEWRRSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645108 373001819 /nfs/dbraw/zinc/00/18/19/373001819.db2.gz LRKUDMXXWFQSAB-HUUCEWRRSA-N 2 1 276.399 3.304 20 0 CGADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000172534406 372983195 /nfs/dbraw/zinc/98/31/95/372983195.db2.gz RZKRSPWDOHXNPC-UHFFFAOYSA-N 2 1 260.425 3.023 20 0 CGADMP C[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000172534297 372984398 /nfs/dbraw/zinc/98/43/98/372984398.db2.gz MEGLGKZGMDBQFV-OAHLLOKOSA-N 2 1 260.425 3.064 20 0 CGADMP CSc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000172585129 372989960 /nfs/dbraw/zinc/98/99/60/372989960.db2.gz UOIGBSAFMJXISV-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000172585129 372989967 /nfs/dbraw/zinc/98/99/67/372989967.db2.gz UOIGBSAFMJXISV-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000172585129 372989973 /nfs/dbraw/zinc/98/99/73/372989973.db2.gz UOIGBSAFMJXISV-OAHLLOKOSA-N 2 1 278.465 3.182 20 0 CGADMP CSc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172850431 373048090 /nfs/dbraw/zinc/04/80/90/373048090.db2.gz ZTTIIVINEKGSEG-UKRRQHHQSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172850431 373048102 /nfs/dbraw/zinc/04/81/02/373048102.db2.gz ZTTIIVINEKGSEG-UKRRQHHQSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172850431 373048115 /nfs/dbraw/zinc/04/81/15/373048115.db2.gz ZTTIIVINEKGSEG-UKRRQHHQSA-N 2 1 278.465 3.323 20 0 CGADMP CSc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172850431 373048125 /nfs/dbraw/zinc/04/81/25/373048125.db2.gz ZTTIIVINEKGSEG-UKRRQHHQSA-N 2 1 278.465 3.323 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000172851133 373048487 /nfs/dbraw/zinc/04/84/87/373048487.db2.gz CJHIPWDUIPGKAS-IAQYHMDHSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000172851133 373048493 /nfs/dbraw/zinc/04/84/93/373048493.db2.gz CJHIPWDUIPGKAS-IAQYHMDHSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)s1 ZINC000172851133 373048497 /nfs/dbraw/zinc/04/84/97/373048497.db2.gz CJHIPWDUIPGKAS-IAQYHMDHSA-N 2 1 266.454 3.279 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)s1 ZINC000172851133 373048503 /nfs/dbraw/zinc/04/85/03/373048503.db2.gz CJHIPWDUIPGKAS-IAQYHMDHSA-N 2 1 266.454 3.279 20 0 CGADMP C[N@@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H]2CCC[C@@H]21 ZINC000353551735 220153621 /nfs/dbraw/zinc/15/36/21/220153621.db2.gz VWFJCIFVGULYQJ-PMPSAXMXSA-N 2 1 271.408 3.244 20 0 CGADMP C[N@H+]1CC[C@H](Nc2cc(C3CC3)cc[nH+]2)[C@H]2CCC[C@@H]21 ZINC000353551735 220153624 /nfs/dbraw/zinc/15/36/24/220153624.db2.gz VWFJCIFVGULYQJ-PMPSAXMXSA-N 2 1 271.408 3.244 20 0 CGADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H](CC[NH3+])C3)o2)cc1 ZINC000443060379 373145744 /nfs/dbraw/zinc/14/57/44/373145744.db2.gz OYYXVZXRBSFBLS-OAHLLOKOSA-N 2 1 299.418 3.211 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000296477029 373147948 /nfs/dbraw/zinc/14/79/48/373147948.db2.gz PUZVBXLZUADZAI-WMLDXEAASA-N 2 1 292.492 3.368 20 0 CGADMP CC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000173885698 373209769 /nfs/dbraw/zinc/20/97/69/373209769.db2.gz HKCXYFZRUDGIPA-QWHCGFSZSA-N 2 1 282.378 3.299 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000173790702 373190495 /nfs/dbraw/zinc/19/04/95/373190495.db2.gz UQZUQOKZELIUFO-GOSISDBHSA-N 2 1 274.452 3.201 20 0 CGADMP COc1ccsc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296648914 373206359 /nfs/dbraw/zinc/20/63/59/373206359.db2.gz YSPPASYDIGFUDG-WODVXLOZSA-N 2 1 280.437 3.033 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296648914 373206363 /nfs/dbraw/zinc/20/63/63/373206363.db2.gz YSPPASYDIGFUDG-WODVXLOZSA-N 2 1 280.437 3.033 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000296774070 373242255 /nfs/dbraw/zinc/24/22/55/373242255.db2.gz LMMKBYVSLPIOSU-GUYCJALGSA-N 2 1 296.405 3.484 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000296774070 373242264 /nfs/dbraw/zinc/24/22/64/373242264.db2.gz LMMKBYVSLPIOSU-GUYCJALGSA-N 2 1 296.405 3.484 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000174454117 373318612 /nfs/dbraw/zinc/31/86/12/373318612.db2.gz OSRCCGMQVOTKPB-BBRMVZONSA-N 2 1 287.407 3.478 20 0 CGADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000174629003 373346358 /nfs/dbraw/zinc/34/63/58/373346358.db2.gz BOHKVIZCHJJIFT-MAUKXSAKSA-N 2 1 290.451 3.295 20 0 CGADMP COC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446759601 373359952 /nfs/dbraw/zinc/35/99/52/373359952.db2.gz PHGGJIZAHNWQJJ-AEFFLSMTSA-N 2 1 296.499 3.436 20 0 CGADMP CCC[N@@H+](CCn1ccnc1C)Cc1ccccc1 ZINC000299002158 373442172 /nfs/dbraw/zinc/44/21/72/373442172.db2.gz CMRNYJMIIDBBIC-UHFFFAOYSA-N 2 1 257.381 3.104 20 0 CGADMP CCC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000299002158 373442179 /nfs/dbraw/zinc/44/21/79/373442179.db2.gz CMRNYJMIIDBBIC-UHFFFAOYSA-N 2 1 257.381 3.104 20 0 CGADMP CCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000299002158 373442187 /nfs/dbraw/zinc/44/21/87/373442187.db2.gz CMRNYJMIIDBBIC-UHFFFAOYSA-N 2 1 257.381 3.104 20 0 CGADMP C[N@H+](CCCNc1[nH]c2ccccc2[nH+]1)Cc1ccccc1 ZINC000301081000 373652519 /nfs/dbraw/zinc/65/25/19/373652519.db2.gz IJZZJOPLGFKMPC-UHFFFAOYSA-N 2 1 294.402 3.497 20 0 CGADMP C[N@@H+](CCCNc1[nH]c2ccccc2[nH+]1)Cc1ccccc1 ZINC000301081000 373652527 /nfs/dbraw/zinc/65/25/27/373652527.db2.gz IJZZJOPLGFKMPC-UHFFFAOYSA-N 2 1 294.402 3.497 20 0 CGADMP CC(C)C(C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C(C)C ZINC000299941664 373616384 /nfs/dbraw/zinc/61/63/84/373616384.db2.gz DTEHJTQBRBUHEG-JKSUJKDBSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C(C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C(C)C ZINC000299941664 373616388 /nfs/dbraw/zinc/61/63/88/373616388.db2.gz DTEHJTQBRBUHEG-JKSUJKDBSA-N 2 1 252.446 3.131 20 0 CGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732769 373704795 /nfs/dbraw/zinc/70/47/95/373704795.db2.gz UAKWVYMINKGFBZ-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732769 373704802 /nfs/dbraw/zinc/70/48/02/373704802.db2.gz UAKWVYMINKGFBZ-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732769 373704808 /nfs/dbraw/zinc/70/48/08/373704808.db2.gz UAKWVYMINKGFBZ-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732769 373704815 /nfs/dbraw/zinc/70/48/15/373704815.db2.gz UAKWVYMINKGFBZ-SUMWQHHRSA-N 2 1 276.399 3.087 20 0 CGADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000178097425 373743681 /nfs/dbraw/zinc/74/36/81/373743681.db2.gz JXUFPWPCDYNUOD-GJZGRUSLSA-N 2 1 292.471 3.034 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCC1 ZINC000178112107 373744668 /nfs/dbraw/zinc/74/46/68/373744668.db2.gz MBOAHJCAFUSOKP-CZUORRHYSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCC1 ZINC000178112107 373744674 /nfs/dbraw/zinc/74/46/74/373744674.db2.gz MBOAHJCAFUSOKP-CZUORRHYSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccoc1 ZINC000178187731 373752465 /nfs/dbraw/zinc/75/24/65/373752465.db2.gz QORXZEQNRQCUTJ-CQSZACIVSA-N 2 1 288.391 3.071 20 0 CGADMP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000178304711 373764554 /nfs/dbraw/zinc/76/45/54/373764554.db2.gz RIRCXEMXTCMZOI-BNOWGMLFSA-N 2 1 281.469 3.283 20 0 CGADMP Clc1ccccc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178957608 373820920 /nfs/dbraw/zinc/82/09/20/373820920.db2.gz FBMYDYDPOMFNAS-MRXNPFEDSA-N 2 1 278.827 3.477 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCC(C)CC1 ZINC000179039239 373829651 /nfs/dbraw/zinc/82/96/51/373829651.db2.gz OXHRMGYDNVHOGT-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCC(C)CC1 ZINC000179039239 373829660 /nfs/dbraw/zinc/82/96/60/373829660.db2.gz OXHRMGYDNVHOGT-UHFFFAOYSA-N 2 1 263.429 3.482 20 0 CGADMP Cc1cc[nH+]c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000301657780 373795039 /nfs/dbraw/zinc/79/50/39/373795039.db2.gz SOAIAMMQFCFPCV-KRWDZBQOSA-N 2 1 287.451 3.482 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CCc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000179536055 373884229 /nfs/dbraw/zinc/88/42/29/373884229.db2.gz KRIMKEXKXKGOEZ-OLZOCXBDSA-N 2 1 295.496 3.055 20 0 CGADMP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(C)c1 ZINC000179834923 373926141 /nfs/dbraw/zinc/92/61/41/373926141.db2.gz ZVVZVZIAMIJCHR-UHFFFAOYSA-N 2 1 260.425 3.266 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCc2cc3ccccc3o2)CC[N@H+]1C ZINC000181089109 374079183 /nfs/dbraw/zinc/07/91/83/374079183.db2.gz RSKVMLMAVMNSOB-UKRRQHHQSA-N 2 1 272.392 3.048 20 0 CGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000181518994 374134900 /nfs/dbraw/zinc/13/49/00/374134900.db2.gz BQBWAZYXFNJTIV-GJZGRUSLSA-N 2 1 264.413 3.298 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000181518994 374134908 /nfs/dbraw/zinc/13/49/08/374134908.db2.gz BQBWAZYXFNJTIV-GJZGRUSLSA-N 2 1 264.413 3.298 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000309737233 374194107 /nfs/dbraw/zinc/19/41/07/374194107.db2.gz UTKQIRJHWSHZIR-WQANXHIZSA-N 2 1 284.447 3.285 20 0 CGADMP FCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309952033 374204006 /nfs/dbraw/zinc/20/40/06/374204006.db2.gz GRJYGWQLOSMXRD-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309952033 374204008 /nfs/dbraw/zinc/20/40/08/374204008.db2.gz GRJYGWQLOSMXRD-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP FCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309952033 374204016 /nfs/dbraw/zinc/20/40/16/374204016.db2.gz GRJYGWQLOSMXRD-ZWKOTPCHSA-N 2 1 290.426 3.190 20 0 CGADMP CC(C)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976668 374204040 /nfs/dbraw/zinc/20/40/40/374204040.db2.gz ROWQULHKXAQGFM-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976668 374204045 /nfs/dbraw/zinc/20/40/45/374204045.db2.gz ROWQULHKXAQGFM-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976668 374204050 /nfs/dbraw/zinc/20/40/50/374204050.db2.gz ROWQULHKXAQGFM-RBUKOAKNSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309976664 374204743 /nfs/dbraw/zinc/20/47/43/374204743.db2.gz ROWQULHKXAQGFM-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309976664 374204747 /nfs/dbraw/zinc/20/47/47/374204747.db2.gz ROWQULHKXAQGFM-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP CC(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309976664 374204750 /nfs/dbraw/zinc/20/47/50/374204750.db2.gz ROWQULHKXAQGFM-MOPGFXCFSA-N 2 1 286.463 3.486 20 0 CGADMP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000313748927 374305706 /nfs/dbraw/zinc/30/57/06/374305706.db2.gz GFQVRPHTWVNDFZ-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000313748927 374305713 /nfs/dbraw/zinc/30/57/13/374305713.db2.gz GFQVRPHTWVNDFZ-UHFFFAOYSA-N 2 1 299.256 3.141 20 0 CGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1c(C)noc1C ZINC000182504617 374283252 /nfs/dbraw/zinc/28/32/52/374283252.db2.gz PAKBJXJGOXYVPM-OAHLLOKOSA-N 2 1 290.411 3.317 20 0 CGADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c(C)s1 ZINC000182741434 374320198 /nfs/dbraw/zinc/32/01/98/374320198.db2.gz QWOUOFCCFWBSMT-GXTWGEPZSA-N 2 1 266.454 3.500 20 0 CGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cscn2)CC1 ZINC000182754917 374322592 /nfs/dbraw/zinc/32/25/92/374322592.db2.gz ASKIWRVYUFCSRM-UHFFFAOYSA-N 2 1 295.496 3.477 20 0 CGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314922758 374323069 /nfs/dbraw/zinc/32/30/69/374323069.db2.gz PQCAFFBYPIYOLG-JKSUJKDBSA-N 2 1 263.429 3.157 20 0 CGADMP COc1cccc2c1CC[N@H+](CCCCn1cc[nH+]c1C)C2 ZINC000182692401 374314869 /nfs/dbraw/zinc/31/48/69/374314869.db2.gz RGYBKHIJJFGXSI-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP COc1cccc2c1CC[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000182692401 374314882 /nfs/dbraw/zinc/31/48/82/374314882.db2.gz RGYBKHIJJFGXSI-UHFFFAOYSA-N 2 1 299.418 3.039 20 0 CGADMP CCC1([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000453299644 374401634 /nfs/dbraw/zinc/40/16/34/374401634.db2.gz VIVMLOQTFCZTBX-DOTOQJQBSA-N 2 1 272.436 3.429 20 0 CGADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453334916 374428184 /nfs/dbraw/zinc/42/81/84/374428184.db2.gz XLXQWSKUGGMSMI-ALYQMLPJSA-N 2 1 272.436 3.453 20 0 CGADMP Fc1ccc(CC2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453345430 374437176 /nfs/dbraw/zinc/43/71/76/374437176.db2.gz JZTBCGZVUBHAQC-DLBZAZTESA-N 2 1 288.410 3.117 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000453376046 374461390 /nfs/dbraw/zinc/46/13/90/374461390.db2.gz PJXLVXJKHLPGCT-HJWJTTGWSA-N 2 1 288.435 3.014 20 0 CGADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000453376046 374461395 /nfs/dbraw/zinc/46/13/95/374461395.db2.gz PJXLVXJKHLPGCT-HJWJTTGWSA-N 2 1 288.435 3.014 20 0 CGADMP C[C@@H]1CCCC[C@H]1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453599493 374476001 /nfs/dbraw/zinc/47/60/01/374476001.db2.gz RMIOEWHXTRAFFT-CABCVRRESA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CCCCC1 ZINC000332376969 374570188 /nfs/dbraw/zinc/57/01/88/374570188.db2.gz RUAMYCYAYLPAFA-INIZCTEOSA-N 2 1 274.408 3.021 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185230315 374614649 /nfs/dbraw/zinc/61/46/49/374614649.db2.gz SLTDLUOZAOGHFH-HOTGVXAUSA-N 2 1 293.455 3.153 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180897 374653992 /nfs/dbraw/zinc/65/39/92/374653992.db2.gz FLUIOYKCXSFDGV-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180897 374653998 /nfs/dbraw/zinc/65/39/98/374653998.db2.gz FLUIOYKCXSFDGV-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000334180897 374654003 /nfs/dbraw/zinc/65/40/03/374654003.db2.gz FLUIOYKCXSFDGV-HUUCEWRRSA-N 2 1 286.410 3.230 20 0 CGADMP COc1ccsc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000186087543 374796673 /nfs/dbraw/zinc/79/66/73/374796673.db2.gz VMGIWUYCXQUHQM-CYBMUJFWSA-N 2 1 282.453 3.283 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459728064 374817554 /nfs/dbraw/zinc/81/75/54/374817554.db2.gz COGXJJOXLKYWRC-UGUYLWEFSA-N 2 1 252.446 3.133 20 0 CGADMP c1ccc(CC[C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000469879588 374992061 /nfs/dbraw/zinc/99/20/61/374992061.db2.gz GINXGLUBPYXFSA-IBGZPJMESA-N 2 1 286.463 3.473 20 0 CGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3Cc4ccccc4C3)CC[NH2+]2)cc1 ZINC000335041670 375088333 /nfs/dbraw/zinc/08/83/33/375088333.db2.gz RBTXEVHTBWEXCH-ICSRJNTNSA-N 2 1 292.426 3.237 20 0 CGADMP Cc1cccc(N2CCC([NH2+][C@H](C)[C@@H]3CC3(C)C)CC2)[nH+]1 ZINC000487267728 375214183 /nfs/dbraw/zinc/21/41/83/375214183.db2.gz BVYUWEBUTOCASE-ZBFHGGJFSA-N 2 1 287.451 3.383 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@H](C)C1 ZINC000188723290 375260726 /nfs/dbraw/zinc/26/07/26/375260726.db2.gz QWMHEIJFZFCFHJ-RDTXWAMCSA-N 2 1 272.436 3.384 20 0 CGADMP Cc1csc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000335799900 375440904 /nfs/dbraw/zinc/44/09/04/375440904.db2.gz KXRHOSYTSKPRBC-HUUCEWRRSA-N 2 1 258.390 3.291 20 0 CGADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000336041232 375640548 /nfs/dbraw/zinc/64/05/48/375640548.db2.gz UHPOMLHNNRCHBV-SAZUREKKSA-N 2 1 278.827 3.270 20 0 CGADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000191803077 375664788 /nfs/dbraw/zinc/66/47/88/375664788.db2.gz FRGUFNMQKKMYJC-QGZVFWFLSA-N 2 1 277.456 3.284 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000191803077 375664790 /nfs/dbraw/zinc/66/47/90/375664790.db2.gz FRGUFNMQKKMYJC-QGZVFWFLSA-N 2 1 277.456 3.284 20 0 CGADMP CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)CC1CC1 ZINC000192021234 375690636 /nfs/dbraw/zinc/69/06/36/375690636.db2.gz STMVLDNKDXLUJI-UHFFFAOYSA-N 2 1 269.392 3.413 20 0 CGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507486775 375707205 /nfs/dbraw/zinc/70/72/05/375707205.db2.gz PEHKPTJKNQTOKU-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507486775 375707208 /nfs/dbraw/zinc/70/72/08/375707208.db2.gz PEHKPTJKNQTOKU-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713709 375759620 /nfs/dbraw/zinc/75/96/20/375759620.db2.gz ABBTUOUPAYFYNJ-JOCBIADPSA-N 2 1 272.436 3.143 20 0 CGADMP CCO[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000192926294 375802809 /nfs/dbraw/zinc/80/28/09/375802809.db2.gz HZCVWBGIBXKFMP-HQSKLWIPSA-N 2 1 294.483 3.187 20 0 CGADMP Cc1ncccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192921780 375803259 /nfs/dbraw/zinc/80/32/59/375803259.db2.gz WIFPLVNNZLTTCX-SFHVURJKSA-N 2 1 295.430 3.002 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000336538026 375815466 /nfs/dbraw/zinc/81/54/66/375815466.db2.gz OXIMVFQMOUHYHZ-NWDGAFQWSA-N 2 1 276.355 3.131 20 0 CGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000193025933 375817023 /nfs/dbraw/zinc/81/70/23/375817023.db2.gz UUSWFBAPFUCHNI-AGUYFDCRSA-N 2 1 294.826 3.063 20 0 CGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000193025933 375817028 /nfs/dbraw/zinc/81/70/28/375817028.db2.gz UUSWFBAPFUCHNI-AGUYFDCRSA-N 2 1 294.826 3.063 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1coc2ccccc12 ZINC000336396701 375788588 /nfs/dbraw/zinc/78/85/88/375788588.db2.gz USWLPVOAZSMZCV-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1coc2ccccc12 ZINC000336396701 375788592 /nfs/dbraw/zinc/78/85/92/375788592.db2.gz USWLPVOAZSMZCV-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1coc2ccccc12 ZINC000336396701 375788597 /nfs/dbraw/zinc/78/85/97/375788597.db2.gz USWLPVOAZSMZCV-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1coc2ccccc12 ZINC000336396701 375788599 /nfs/dbraw/zinc/78/85/99/375788599.db2.gz USWLPVOAZSMZCV-CJNGLKHVSA-N 2 1 272.392 3.205 20 0 CGADMP CCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000193361246 375867631 /nfs/dbraw/zinc/86/76/31/375867631.db2.gz CRWFDDSMMCVEMS-MAUKXSAKSA-N 2 1 289.467 3.328 20 0 CGADMP C[NH+](CCCC[N@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000534274663 375966540 /nfs/dbraw/zinc/96/65/40/375966540.db2.gz QHDXJJINUYGWGY-UHFFFAOYSA-N 2 1 276.380 3.217 20 0 CGADMP CCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000534342383 375977770 /nfs/dbraw/zinc/97/77/70/375977770.db2.gz QZEHTGISOKYVRX-ZDUSSCGKSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000534342383 375977776 /nfs/dbraw/zinc/97/77/76/375977776.db2.gz QZEHTGISOKYVRX-ZDUSSCGKSA-N 2 1 266.454 3.084 20 0 CGADMP CCc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000534342383 375977782 /nfs/dbraw/zinc/97/77/82/375977782.db2.gz QZEHTGISOKYVRX-ZDUSSCGKSA-N 2 1 266.454 3.084 20 0 CGADMP C[C@@H](CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000193722942 375915198 /nfs/dbraw/zinc/91/51/98/375915198.db2.gz XWHDJBAQNLSFAK-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP C[C@@H](CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000193722942 375915204 /nfs/dbraw/zinc/91/52/04/375915204.db2.gz XWHDJBAQNLSFAK-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP C[C@@H](CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000193722942 375915208 /nfs/dbraw/zinc/91/52/08/375915208.db2.gz XWHDJBAQNLSFAK-DLBZAZTESA-N 2 1 274.452 3.454 20 0 CGADMP CC(C)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@H]1C ZINC000534629138 375995905 /nfs/dbraw/zinc/99/59/05/375995905.db2.gz MMQFLFGONIGGOG-BMFZPTHFSA-N 2 1 252.446 3.131 20 0 CGADMP CCCc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000336841802 376003647 /nfs/dbraw/zinc/00/36/47/376003647.db2.gz SMGDLDVGVPPENK-CQSZACIVSA-N 2 1 271.408 3.495 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCc2ccccc21 ZINC000535051054 376016160 /nfs/dbraw/zinc/01/61/60/376016160.db2.gz UDQWKFUUKFCVII-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000535051054 376016165 /nfs/dbraw/zinc/01/61/65/376016165.db2.gz UDQWKFUUKFCVII-FUHWJXTLSA-N 2 1 272.436 3.480 20 0 CGADMP Cc1nccn1CCCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000535051616 376016453 /nfs/dbraw/zinc/01/64/53/376016453.db2.gz JHAZJROSCUCUNQ-KRWDZBQOSA-N 2 1 284.407 3.204 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000535051616 376016457 /nfs/dbraw/zinc/01/64/57/376016457.db2.gz JHAZJROSCUCUNQ-KRWDZBQOSA-N 2 1 284.407 3.204 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000535051616 376016462 /nfs/dbraw/zinc/01/64/62/376016462.db2.gz JHAZJROSCUCUNQ-KRWDZBQOSA-N 2 1 284.407 3.204 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000336903324 376026069 /nfs/dbraw/zinc/02/60/69/376026069.db2.gz VDLAZXBBIRGAGZ-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000194831669 376046870 /nfs/dbraw/zinc/04/68/70/376046870.db2.gz KZOZKNPQQUQFEJ-GFCCVEGCSA-N 2 1 252.427 3.011 20 0 CGADMP COc1ccccc1CCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337201296 376133414 /nfs/dbraw/zinc/13/34/14/376133414.db2.gz CRKMLUQPUQKVON-UHFFFAOYSA-N 2 1 290.451 3.046 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCSc1ccccc1 ZINC000536862141 376138892 /nfs/dbraw/zinc/13/88/92/376138892.db2.gz HAVOEDBVVMOJEY-HLLBOEOZSA-N 2 1 292.492 3.487 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000215971431 376155399 /nfs/dbraw/zinc/15/53/99/376155399.db2.gz YJPLPKFIIHOMHZ-ZIAGYGMSSA-N 2 1 284.403 3.018 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000132150168 542075489 /nfs/dbraw/zinc/07/54/89/542075489.db2.gz LZEOZSIWKROZTQ-OHRKKDJYSA-N 2 1 250.430 3.170 20 0 CGADMP C[C@H](CC1CCC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000132150168 542075491 /nfs/dbraw/zinc/07/54/91/542075491.db2.gz LZEOZSIWKROZTQ-OHRKKDJYSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1cccc([C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337271619 376182952 /nfs/dbraw/zinc/18/29/52/376182952.db2.gz NVWIQRURVYGXKM-INIZCTEOSA-N 2 1 260.425 3.474 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1cccc(Cl)c1 ZINC000337280218 376187123 /nfs/dbraw/zinc/18/71/23/376187123.db2.gz VCDIZOVWFWKBLP-UHFFFAOYSA-N 2 1 296.842 3.137 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1cccc(Cl)c1 ZINC000337280218 376187131 /nfs/dbraw/zinc/18/71/31/376187131.db2.gz VCDIZOVWFWKBLP-UHFFFAOYSA-N 2 1 296.842 3.137 20 0 CGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C[C@H](C)O1 ZINC000537969182 376213515 /nfs/dbraw/zinc/21/35/15/376213515.db2.gz OGHOKWGBBNEYJB-MEWRGDBZSA-N 2 1 296.499 3.290 20 0 CGADMP CC(C)OC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000337347607 376214077 /nfs/dbraw/zinc/21/40/77/376214077.db2.gz XSJKSHXQJPPWEH-CVEARBPZSA-N 2 1 270.461 3.044 20 0 CGADMP CC(=O)Nc1cccc([C@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000221910122 376223900 /nfs/dbraw/zinc/22/39/00/376223900.db2.gz YRJQJAQUHPXRCQ-AWEZNQCLSA-N 2 1 291.439 3.026 20 0 CGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000221910122 376223903 /nfs/dbraw/zinc/22/39/03/376223903.db2.gz YRJQJAQUHPXRCQ-AWEZNQCLSA-N 2 1 291.439 3.026 20 0 CGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000221910122 376223905 /nfs/dbraw/zinc/22/39/05/376223905.db2.gz YRJQJAQUHPXRCQ-AWEZNQCLSA-N 2 1 291.439 3.026 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000538737610 376265846 /nfs/dbraw/zinc/26/58/46/376265846.db2.gz PRJJPVGKNJZHAD-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000538737610 376265852 /nfs/dbraw/zinc/26/58/52/376265852.db2.gz PRJJPVGKNJZHAD-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000538737610 376265857 /nfs/dbraw/zinc/26/58/57/376265857.db2.gz PRJJPVGKNJZHAD-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000538737610 376265862 /nfs/dbraw/zinc/26/58/62/376265862.db2.gz PRJJPVGKNJZHAD-DOTOQJQBSA-N 2 1 290.451 3.390 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCc2c1c(F)ccc2F)C[NH+]1CCCC1 ZINC000338179138 376275294 /nfs/dbraw/zinc/27/52/94/376275294.db2.gz AYMFCEVKAAZUAV-MLGOLLRUSA-N 2 1 294.389 3.274 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCC(F)(F)C3)CC[C@H]21 ZINC000338279029 376309979 /nfs/dbraw/zinc/30/99/79/376309979.db2.gz IGVUAAUBCTUBRE-RBSFLKMASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@H]21 ZINC000338279029 376309983 /nfs/dbraw/zinc/30/99/83/376309983.db2.gz IGVUAAUBCTUBRE-RBSFLKMASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@H]21 ZINC000338279029 376309989 /nfs/dbraw/zinc/30/99/89/376309989.db2.gz IGVUAAUBCTUBRE-RBSFLKMASA-N 2 1 286.410 3.228 20 0 CGADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226436853 376360678 /nfs/dbraw/zinc/36/06/78/376360678.db2.gz YCMOKQKUDOGUOC-CQSZACIVSA-N 2 1 296.842 3.040 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000226537134 376363455 /nfs/dbraw/zinc/36/34/55/376363455.db2.gz MIJODKQWKSVSLR-GMXVVIOVSA-N 2 1 252.789 3.070 20 0 CGADMP CC(C)CCC[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000338420339 376371183 /nfs/dbraw/zinc/37/11/83/376371183.db2.gz GJCQOUDSDKBURF-UHFFFAOYSA-N 2 1 290.451 3.045 20 0 CGADMP Fc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1C(F)(F)F ZINC000228411144 376435770 /nfs/dbraw/zinc/43/57/70/376435770.db2.gz LPOUODFQDBYOJL-UHFFFAOYSA-N 2 1 290.304 3.076 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000542151846 376510937 /nfs/dbraw/zinc/51/09/37/376510937.db2.gz SUFQQCIBFXRPNG-GDBMZVCRSA-N 2 1 278.465 3.097 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1ccc(Cl)cc1 ZINC000541844896 376485113 /nfs/dbraw/zinc/48/51/13/376485113.db2.gz CIQGJRLMTGNJAV-UHFFFAOYSA-N 2 1 280.843 3.300 20 0 CGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000231460540 376560474 /nfs/dbraw/zinc/56/04/74/376560474.db2.gz JZJXZEOVZGBFGM-SFHVURJKSA-N 2 1 268.404 3.414 20 0 CGADMP CCOc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC000233790254 376601010 /nfs/dbraw/zinc/60/10/10/376601010.db2.gz ZUQMGGDFWUZSLA-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H](C)Cc2ccsc2)[C@@H](C)C1 ZINC000543080767 376602893 /nfs/dbraw/zinc/60/28/93/376602893.db2.gz GECDQRCYGLPTJU-DZKIICNBSA-N 2 1 280.481 3.341 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@@H](C)Cc2ccsc2)[C@@H](C)C1 ZINC000543080767 376602896 /nfs/dbraw/zinc/60/28/96/376602896.db2.gz GECDQRCYGLPTJU-DZKIICNBSA-N 2 1 280.481 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H](C)Cc2ccsc2)[C@@H](C)C1 ZINC000543080767 376602898 /nfs/dbraw/zinc/60/28/98/376602898.db2.gz GECDQRCYGLPTJU-DZKIICNBSA-N 2 1 280.481 3.341 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H](C)Cc2ccsc2)[C@@H](C)C1 ZINC000543080767 376602899 /nfs/dbraw/zinc/60/28/99/376602899.db2.gz GECDQRCYGLPTJU-DZKIICNBSA-N 2 1 280.481 3.341 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000542915265 376590029 /nfs/dbraw/zinc/59/00/29/376590029.db2.gz XNSCHELTRCKVSR-AHRSYUTCSA-N 2 1 298.474 3.208 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000542915265 376590036 /nfs/dbraw/zinc/59/00/36/376590036.db2.gz XNSCHELTRCKVSR-AHRSYUTCSA-N 2 1 298.474 3.208 20 0 CGADMP C([NH2+]C1CCCCCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000236582066 376667059 /nfs/dbraw/zinc/66/70/59/376667059.db2.gz CXLKJVZOTVSNMP-UHFFFAOYSA-N 2 1 294.483 3.334 20 0 CGADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000234289183 376614408 /nfs/dbraw/zinc/61/44/08/376614408.db2.gz UIJWOGJOMUEWAM-YIONKMFJSA-N 2 1 278.827 3.363 20 0 CGADMP Cc1cccc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000543254345 376626901 /nfs/dbraw/zinc/62/69/01/376626901.db2.gz YBXASOYAEMFKAR-MSOLQXFVSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000543254345 376626911 /nfs/dbraw/zinc/62/69/11/376626911.db2.gz YBXASOYAEMFKAR-MSOLQXFVSA-N 2 1 272.436 3.269 20 0 CGADMP Cc1cccc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000543254345 376626922 /nfs/dbraw/zinc/62/69/22/376626922.db2.gz YBXASOYAEMFKAR-MSOLQXFVSA-N 2 1 272.436 3.269 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(COC)cc2)C[C@H]1C ZINC000339009731 376628914 /nfs/dbraw/zinc/62/89/14/376628914.db2.gz HHYCYQJUTUKKKM-QAPCUYQASA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(COC)cc2)C[C@H]1C ZINC000339009731 376628917 /nfs/dbraw/zinc/62/89/17/376628917.db2.gz HHYCYQJUTUKKKM-QAPCUYQASA-N 2 1 290.451 3.138 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(COC)cc2)C[C@H]1C ZINC000339009731 376628921 /nfs/dbraw/zinc/62/89/21/376628921.db2.gz HHYCYQJUTUKKKM-QAPCUYQASA-N 2 1 290.451 3.138 20 0 CGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000235415789 376639846 /nfs/dbraw/zinc/63/98/46/376639846.db2.gz OUQJTGJHFREJON-KRWDZBQOSA-N 2 1 254.377 3.011 20 0 CGADMP CCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000339042836 376642412 /nfs/dbraw/zinc/64/24/12/376642412.db2.gz BWFCBVGGFHQYRW-LPHOPBHVSA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000339042836 376642429 /nfs/dbraw/zinc/64/24/29/376642429.db2.gz BWFCBVGGFHQYRW-LPHOPBHVSA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000339042836 376642438 /nfs/dbraw/zinc/64/24/38/376642438.db2.gz BWFCBVGGFHQYRW-LPHOPBHVSA-N 2 1 299.462 3.093 20 0 CGADMP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000339042836 376642447 /nfs/dbraw/zinc/64/24/47/376642447.db2.gz BWFCBVGGFHQYRW-LPHOPBHVSA-N 2 1 299.462 3.093 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000236717844 376685498 /nfs/dbraw/zinc/68/54/98/376685498.db2.gz ZFYPHFGBSYWWRZ-UHFFFAOYSA-N 2 1 298.474 3.472 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC000339432268 376755093 /nfs/dbraw/zinc/75/50/93/376755093.db2.gz HXXJBFVRRDKAOA-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC000339432268 376755100 /nfs/dbraw/zinc/75/51/00/376755100.db2.gz HXXJBFVRRDKAOA-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC000339432268 376755107 /nfs/dbraw/zinc/75/51/07/376755107.db2.gz HXXJBFVRRDKAOA-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1(C)C ZINC000545420634 376821180 /nfs/dbraw/zinc/82/11/80/376821180.db2.gz PXNNBZWYWFRPRL-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000545420634 376821185 /nfs/dbraw/zinc/82/11/85/376821185.db2.gz PXNNBZWYWFRPRL-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000545420634 376821197 /nfs/dbraw/zinc/82/11/97/376821197.db2.gz PXNNBZWYWFRPRL-HUUCEWRRSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000158741110 542145275 /nfs/dbraw/zinc/14/52/75/542145275.db2.gz ZZFXFMZZVYKCPK-UHFFFAOYSA-N 2 1 276.424 3.001 20 0 CGADMP C[C@@H](c1nc2ccccc2o1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245556648 376853879 /nfs/dbraw/zinc/85/38/79/376853879.db2.gz UOTRNMILNDBFAC-KBPBESRZSA-N 2 1 287.407 3.162 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690972 376882147 /nfs/dbraw/zinc/88/21/47/376882147.db2.gz BLKLOVAGGATWFR-KBPBESRZSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690972 376882151 /nfs/dbraw/zinc/88/21/51/376882151.db2.gz BLKLOVAGGATWFR-KBPBESRZSA-N 2 1 266.454 3.219 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690972 376882160 /nfs/dbraw/zinc/88/21/60/376882160.db2.gz BLKLOVAGGATWFR-KBPBESRZSA-N 2 1 266.454 3.219 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000556933191 376908808 /nfs/dbraw/zinc/90/88/08/376908808.db2.gz JSGFRXGZFSLCOF-OKZBNKHCSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000556933191 376908811 /nfs/dbraw/zinc/90/88/11/376908811.db2.gz JSGFRXGZFSLCOF-OKZBNKHCSA-N 2 1 276.468 3.397 20 0 CGADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000556933191 376908813 /nfs/dbraw/zinc/90/88/13/376908813.db2.gz JSGFRXGZFSLCOF-OKZBNKHCSA-N 2 1 276.468 3.397 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000340200890 376947067 /nfs/dbraw/zinc/94/70/67/376947067.db2.gz FVCSHMNUDMSNSX-KRWDZBQOSA-N 2 1 292.467 3.068 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246024744 376954518 /nfs/dbraw/zinc/95/45/18/376954518.db2.gz WOWUGHGCRGNACZ-QXSJWSMHSA-N 2 1 250.430 3.172 20 0 CGADMP CSc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)s1 ZINC000558491075 377015178 /nfs/dbraw/zinc/01/51/78/377015178.db2.gz VAHNVRRXWJIEMH-LBPRGKRZSA-N 2 1 284.494 3.290 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558695652 377033760 /nfs/dbraw/zinc/03/37/60/377033760.db2.gz MULQKCVOURPMFD-KCEFYPGHSA-N 2 1 276.468 3.418 20 0 CGADMP CC(C)CSCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246497292 377041283 /nfs/dbraw/zinc/04/12/83/377041283.db2.gz SJDHJVRMWOWRFK-RRFJBIMHSA-N 2 1 272.502 3.084 20 0 CGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000558225864 376985114 /nfs/dbraw/zinc/98/51/14/376985114.db2.gz JOVUYKHIFZDJIB-XHSDSOJGSA-N 2 1 252.446 3.419 20 0 CGADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246232800 376994059 /nfs/dbraw/zinc/99/40/59/376994059.db2.gz STFFCOBXEMUUEK-GJZGRUSLSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246232800 376994062 /nfs/dbraw/zinc/99/40/62/376994062.db2.gz STFFCOBXEMUUEK-GJZGRUSLSA-N 2 1 276.399 3.304 20 0 CGADMP C[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254194 376997821 /nfs/dbraw/zinc/99/78/21/376997821.db2.gz WTAYKEAVRQEPTA-HKUYNNGSSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C[C@H]1C ZINC000246937820 377121451 /nfs/dbraw/zinc/12/14/51/377121451.db2.gz OBKOANDYDVABLK-FGZZBPHYSA-N 2 1 252.446 3.129 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000340445732 377063329 /nfs/dbraw/zinc/06/33/29/377063329.db2.gz ZIXOJSHVABFBET-UHFFFAOYSA-N 2 1 281.359 3.241 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246706071 377075175 /nfs/dbraw/zinc/07/51/75/377075175.db2.gz KYOHKCJEGPJRKU-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246706071 377075185 /nfs/dbraw/zinc/07/51/85/377075185.db2.gz KYOHKCJEGPJRKU-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246706071 377075192 /nfs/dbraw/zinc/07/51/92/377075192.db2.gz KYOHKCJEGPJRKU-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246706071 377075199 /nfs/dbraw/zinc/07/51/99/377075199.db2.gz KYOHKCJEGPJRKU-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246706071 377075209 /nfs/dbraw/zinc/07/52/09/377075209.db2.gz KYOHKCJEGPJRKU-DLBZAZTESA-N 2 1 290.451 3.178 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)C[C@H]1c1ccccc1 ZINC000559804418 377101177 /nfs/dbraw/zinc/10/11/77/377101177.db2.gz MMWGZYXSPCWOIW-IRXDYDNUSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)C[C@H]1c1ccccc1 ZINC000559804418 377101181 /nfs/dbraw/zinc/10/11/81/377101181.db2.gz MMWGZYXSPCWOIW-IRXDYDNUSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000559804415 377101314 /nfs/dbraw/zinc/10/13/14/377101314.db2.gz MMWGZYXSPCWOIW-IAGOWNOFSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000559804415 377101317 /nfs/dbraw/zinc/10/13/17/377101317.db2.gz MMWGZYXSPCWOIW-IAGOWNOFSA-N 2 1 290.451 3.227 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC[C@H]1c1ccccc1 ZINC000247295562 377191021 /nfs/dbraw/zinc/19/10/21/377191021.db2.gz OCGQMQMXJNWCAJ-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC[C@H]1c1ccccc1 ZINC000247295562 377191029 /nfs/dbraw/zinc/19/10/29/377191029.db2.gz OCGQMQMXJNWCAJ-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000247295562 377191034 /nfs/dbraw/zinc/19/10/34/377191034.db2.gz OCGQMQMXJNWCAJ-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000247295562 377191039 /nfs/dbraw/zinc/19/10/39/377191039.db2.gz OCGQMQMXJNWCAJ-IRXDYDNUSA-N 2 1 290.476 3.261 20 0 CGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000246985266 377131160 /nfs/dbraw/zinc/13/11/60/377131160.db2.gz JYYPVGHCVZSCFT-YJBOKZPZSA-N 2 1 272.436 3.386 20 0 CGADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247080612 377154664 /nfs/dbraw/zinc/15/46/64/377154664.db2.gz NNUCWVZOGIVNEK-IBEHDNSVSA-N 2 1 284.513 3.369 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000247117710 377161744 /nfs/dbraw/zinc/16/17/44/377161744.db2.gz MFTUDLBMPCPVMO-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000247117710 377161752 /nfs/dbraw/zinc/16/17/52/377161752.db2.gz MFTUDLBMPCPVMO-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP COc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cc1 ZINC000247117710 377161760 /nfs/dbraw/zinc/16/17/60/377161760.db2.gz MFTUDLBMPCPVMO-AEFFLSMTSA-N 2 1 288.435 3.316 20 0 CGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOC(C)(C)C)C1 ZINC000247123542 377164080 /nfs/dbraw/zinc/16/40/80/377164080.db2.gz YZWWJFWRVZUDOO-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOC(C)(C)C)C1 ZINC000247123542 377164088 /nfs/dbraw/zinc/16/40/88/377164088.db2.gz YZWWJFWRVZUDOO-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000247123542 377164094 /nfs/dbraw/zinc/16/40/94/377164094.db2.gz YZWWJFWRVZUDOO-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000247123542 377164105 /nfs/dbraw/zinc/16/41/05/377164105.db2.gz YZWWJFWRVZUDOO-SJORKVTESA-N 2 1 296.499 3.388 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000560529226 377165169 /nfs/dbraw/zinc/16/51/69/377165169.db2.gz KRNTYTBKFGPYFB-QKPAOTATSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000560529226 377165178 /nfs/dbraw/zinc/16/51/78/377165178.db2.gz KRNTYTBKFGPYFB-QKPAOTATSA-N 2 1 252.446 3.131 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247145445 377167138 /nfs/dbraw/zinc/16/71/38/377167138.db2.gz WNGDABVCVIVHFH-FZKCQIBNSA-N 2 1 252.446 3.418 20 0 CGADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247145445 377167142 /nfs/dbraw/zinc/16/71/42/377167142.db2.gz WNGDABVCVIVHFH-FZKCQIBNSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H](C)C1 ZINC000247197686 377174458 /nfs/dbraw/zinc/17/44/58/377174458.db2.gz TZFFMNKMAQECCZ-FIEKWJHISA-N 2 1 258.409 3.020 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000247239970 377182948 /nfs/dbraw/zinc/18/29/48/377182948.db2.gz YVUILFKXOVBJHO-PKOBYXMFSA-N 2 1 286.463 3.248 20 0 CGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000340683797 377213430 /nfs/dbraw/zinc/21/34/30/377213430.db2.gz QXLCUCIZNLANDX-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP CCCCOc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000340683797 377213437 /nfs/dbraw/zinc/21/34/37/377213437.db2.gz QXLCUCIZNLANDX-SFHVURJKSA-N 2 1 288.435 3.051 20 0 CGADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712690 377231108 /nfs/dbraw/zinc/23/11/08/377231108.db2.gz PTYPWNBVORVPRQ-INIZCTEOSA-N 2 1 296.842 3.040 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000561975368 377259498 /nfs/dbraw/zinc/25/94/98/377259498.db2.gz KDNOSOUVKJZLKM-AQNXPRMDSA-N 2 1 298.474 3.454 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C1CCCC1 ZINC000248030802 377260604 /nfs/dbraw/zinc/26/06/04/377260604.db2.gz KIJSVCYLNVOETE-CVEARBPZSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000248030802 377260613 /nfs/dbraw/zinc/26/06/13/377260613.db2.gz KIJSVCYLNVOETE-CVEARBPZSA-N 2 1 250.430 3.125 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000248030802 377260619 /nfs/dbraw/zinc/26/06/19/377260619.db2.gz KIJSVCYLNVOETE-CVEARBPZSA-N 2 1 250.430 3.125 20 0 CGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000562519524 377321245 /nfs/dbraw/zinc/32/12/45/377321245.db2.gz ANQPBZGMMVQTRZ-KFESYUHLSA-N 2 1 296.499 3.289 20 0 CGADMP C[N@H+](CC[NH2+]CC1Cc2ccccc2C1)C1CCCCC1 ZINC000562201680 377281716 /nfs/dbraw/zinc/28/17/16/377281716.db2.gz QJCMRUFICLXCFP-UHFFFAOYSA-N 2 1 286.463 3.256 20 0 CGADMP C[N@@H+](CC[NH2+]CC1Cc2ccccc2C1)C1CCCCC1 ZINC000562201680 377281721 /nfs/dbraw/zinc/28/17/21/377281721.db2.gz QJCMRUFICLXCFP-UHFFFAOYSA-N 2 1 286.463 3.256 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3Cc4ccccc4C3)C2)CC1 ZINC000562206028 377284212 /nfs/dbraw/zinc/28/42/12/377284212.db2.gz VBQPKMGITJMQCD-HXUWFJFHSA-N 2 1 298.474 3.065 20 0 CGADMP CC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248373230 377298262 /nfs/dbraw/zinc/29/82/62/377298262.db2.gz HLBGTFWYCOPNAE-NVXWUHKLSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248373230 377298267 /nfs/dbraw/zinc/29/82/67/377298267.db2.gz HLBGTFWYCOPNAE-NVXWUHKLSA-N 2 1 260.425 3.239 20 0 CGADMP CC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248373230 377298274 /nfs/dbraw/zinc/29/82/74/377298274.db2.gz HLBGTFWYCOPNAE-NVXWUHKLSA-N 2 1 260.425 3.239 20 0 CGADMP CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390142 377304586 /nfs/dbraw/zinc/30/45/86/377304586.db2.gz BGLAKMKTKNXVLR-KKUMJFAQSA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccncc1 ZINC000248403356 377307826 /nfs/dbraw/zinc/30/78/26/377307826.db2.gz OPPLLRFPRDQTMF-ZOBUZTSGSA-N 2 1 287.451 3.385 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCC1CCCCC1 ZINC000563353738 377447056 /nfs/dbraw/zinc/44/70/56/377447056.db2.gz FRLPKMGBMNKFKB-UHFFFAOYSA-N 2 1 263.429 3.255 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCC1CCCCC1 ZINC000563353738 377447067 /nfs/dbraw/zinc/44/70/67/377447067.db2.gz FRLPKMGBMNKFKB-UHFFFAOYSA-N 2 1 263.429 3.255 20 0 CGADMP CCO[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000248878351 377418574 /nfs/dbraw/zinc/41/85/74/377418574.db2.gz KAHVDEYULQHPJM-BPQIPLTHSA-N 2 1 290.451 3.084 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)Cc1ccsc1 ZINC000249595150 377517284 /nfs/dbraw/zinc/51/72/84/377517284.db2.gz WQGKOJWUXWAGPR-ZBFHGGJFSA-N 2 1 280.481 3.485 20 0 CGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)Cc1ccsc1 ZINC000249595150 377517293 /nfs/dbraw/zinc/51/72/93/377517293.db2.gz WQGKOJWUXWAGPR-ZBFHGGJFSA-N 2 1 280.481 3.485 20 0 CGADMP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1)C1CC1 ZINC000086119685 249016912 /nfs/dbraw/zinc/01/69/12/249016912.db2.gz MVSAKEFXABHAJK-BPUTZDHNSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000250076358 377548204 /nfs/dbraw/zinc/54/82/04/377548204.db2.gz OQFDEPQEOYNRNF-HUUCEWRRSA-N 2 1 284.513 3.228 20 0 CGADMP c1csc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)c1 ZINC000250096194 377550538 /nfs/dbraw/zinc/55/05/38/377550538.db2.gz TVPOKNXNMYLOGZ-OFQRWUPVSA-N 2 1 276.449 3.416 20 0 CGADMP c1ccc(CC[C@@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469879254 249161899 /nfs/dbraw/zinc/16/18/99/249161899.db2.gz FJTCCUGLRXMZLR-MOPGFXCFSA-N 2 1 286.463 3.473 20 0 CGADMP c1ccc2cc(CC[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000428047081 249131046 /nfs/dbraw/zinc/13/10/46/249131046.db2.gz XGPCFXWAVKQMMR-RTBURBONSA-N 2 1 280.415 3.066 20 0 CGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000250587808 377564089 /nfs/dbraw/zinc/56/40/89/377564089.db2.gz OVHHZXIZZGGPLL-HOCLYGCPSA-N 2 1 276.424 3.033 20 0 CGADMP C[C@H]([NH2+]CC(C)(C)C1=CCCC1)c1c[nH+]ccc1N ZINC000515053360 249199823 /nfs/dbraw/zinc/19/98/23/249199823.db2.gz SVZWFRQOMNFYEY-LBPRGKRZSA-N 2 1 259.397 3.281 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000573741619 377568023 /nfs/dbraw/zinc/56/80/23/377568023.db2.gz RRBXJYNKSCJZGW-GOSISDBHSA-N 2 1 283.419 3.016 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000573741619 377568033 /nfs/dbraw/zinc/56/80/33/377568033.db2.gz RRBXJYNKSCJZGW-GOSISDBHSA-N 2 1 283.419 3.016 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](CCCc2cncn2C)C1 ZINC000573813368 377581194 /nfs/dbraw/zinc/58/11/94/377581194.db2.gz QAYJNTKXGUWWPV-HNNXBMFYSA-N 2 1 263.429 3.111 20 0 CGADMP CC(C)C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000573813368 377581201 /nfs/dbraw/zinc/58/12/01/377581201.db2.gz QAYJNTKXGUWWPV-HNNXBMFYSA-N 2 1 263.429 3.111 20 0 CGADMP CC(C)C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000573813368 377581208 /nfs/dbraw/zinc/58/12/08/377581208.db2.gz QAYJNTKXGUWWPV-HNNXBMFYSA-N 2 1 263.429 3.111 20 0 CGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000573817267 377581280 /nfs/dbraw/zinc/58/12/80/377581280.db2.gz POHNPCZMCNONPK-REPLKXPHSA-N 2 1 284.447 3.082 20 0 CGADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000574002513 377605883 /nfs/dbraw/zinc/60/58/83/377605883.db2.gz IARINWSRPMJFSE-PBHICJAKSA-N 2 1 292.492 3.343 20 0 CGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252133519 377616169 /nfs/dbraw/zinc/61/61/69/377616169.db2.gz MHEZRUHVIUQLMS-QXSJWSMHSA-N 2 1 264.457 3.418 20 0 CGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252119611 377616520 /nfs/dbraw/zinc/61/65/20/377616520.db2.gz JDBUIVCPKFNFLJ-XFIYOXNOSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000252195458 377617484 /nfs/dbraw/zinc/61/74/84/377617484.db2.gz VLJANJCVZDVPPY-YRUAKLFHSA-N 2 1 250.430 3.026 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000180751110 542214790 /nfs/dbraw/zinc/21/47/90/542214790.db2.gz DXBYOSXHOGQKEH-AEFFLSMTSA-N 2 1 286.463 3.380 20 0 CGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697161 377652760 /nfs/dbraw/zinc/65/27/60/377652760.db2.gz FTFZUKQOOXQHFX-IJLUTSLNSA-N 2 1 252.789 3.070 20 0 CGADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cc(F)ccc1F ZINC000574463378 377667612 /nfs/dbraw/zinc/66/76/12/377667612.db2.gz TUWSLHCQXMKTCU-MRXNPFEDSA-N 2 1 293.361 3.372 20 0 CGADMP CC(C)[C@H](C[NH2+][C@H](C(C)C)C1CC1)[NH+]1CCCC1 ZINC000574692671 377696940 /nfs/dbraw/zinc/69/69/40/377696940.db2.gz IHSGCIMTDBUFSI-JKSUJKDBSA-N 2 1 252.446 3.131 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000342590631 377678009 /nfs/dbraw/zinc/67/80/09/377678009.db2.gz HBLKLICSOROOFB-ZDUSSCGKSA-N 2 1 251.418 3.386 20 0 CGADMP COC[C@@H](C)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000253294491 377683271 /nfs/dbraw/zinc/68/32/71/377683271.db2.gz HASDGDKUZJYFMY-IRXDYDNUSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H]1CC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000575172799 377758075 /nfs/dbraw/zinc/75/80/75/377758075.db2.gz GZQKQOWJXMLEMV-SZXPJGKVSA-N 2 1 288.435 3.025 20 0 CGADMP c1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000261679347 377839992 /nfs/dbraw/zinc/83/99/92/377839992.db2.gz GPTXMXRTTAYFAG-QZTJIDSGSA-N 2 1 266.388 3.024 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261563949 377817991 /nfs/dbraw/zinc/81/79/91/377817991.db2.gz HCWNCPDZXKZZJY-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261563949 377817997 /nfs/dbraw/zinc/81/79/97/377817997.db2.gz HCWNCPDZXKZZJY-SWLSCSKDSA-N 2 1 264.800 3.086 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc2ccccc2o1 ZINC000261589885 377823586 /nfs/dbraw/zinc/82/35/86/377823586.db2.gz LBRZXAUTPJLWLJ-MBNYWOFBSA-N 2 1 258.365 3.081 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261615012 377829081 /nfs/dbraw/zinc/82/90/81/377829081.db2.gz FNDHTALWBMYKOS-GOSISDBHSA-N 2 1 284.403 3.019 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858686 377841231 /nfs/dbraw/zinc/84/12/31/377841231.db2.gz FVXIUKUQKCORKJ-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342858686 377841238 /nfs/dbraw/zinc/84/12/38/377841238.db2.gz FVXIUKUQKCORKJ-GOEBONIOSA-N 2 1 263.429 3.482 20 0 CGADMP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261886103 377863076 /nfs/dbraw/zinc/86/30/76/377863076.db2.gz RWWZJNCTSCVTLX-MRXNPFEDSA-N 2 1 264.388 3.036 20 0 CGADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261915448 377867586 /nfs/dbraw/zinc/86/75/86/377867586.db2.gz GVXACDGQXUTADG-OAHLLOKOSA-N 2 1 298.430 3.409 20 0 CGADMP C[C@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000261924032 377869539 /nfs/dbraw/zinc/86/95/39/377869539.db2.gz KTZZAXFWYWUKHX-CJNGLKHVSA-N 2 1 264.388 3.003 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000262458946 377899000 /nfs/dbraw/zinc/89/90/00/377899000.db2.gz IKKJYAFTULJTEZ-VQTJNVASSA-N 2 1 292.426 3.395 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1C ZINC000262154059 377890528 /nfs/dbraw/zinc/89/05/28/377890528.db2.gz GGIYIDYEIUQQHU-GOSISDBHSA-N 2 1 272.436 3.440 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342876703 377851012 /nfs/dbraw/zinc/85/10/12/377851012.db2.gz TYRQMWYYBIEBKN-HNNXBMFYSA-N 2 1 263.429 3.482 20 0 CGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342876703 377851016 /nfs/dbraw/zinc/85/10/16/377851016.db2.gz TYRQMWYYBIEBKN-HNNXBMFYSA-N 2 1 263.429 3.482 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261809363 377857472 /nfs/dbraw/zinc/85/74/72/377857472.db2.gz HOCFOQXDVZZOPK-DGCLKSJQSA-N 2 1 266.816 3.072 20 0 CGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261809359 377857638 /nfs/dbraw/zinc/85/76/38/377857638.db2.gz HOCFOQXDVZZOPK-AAEUAGOBSA-N 2 1 266.816 3.072 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](CC1CC[NH2+]CC1)[C@H]2C ZINC000261829489 377858988 /nfs/dbraw/zinc/85/89/88/377858988.db2.gz IXTUTAXCOJCNRK-KGLIPLIRSA-N 2 1 288.435 3.002 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261834708 377859755 /nfs/dbraw/zinc/85/97/55/377859755.db2.gz UYMUDZOOWAPQMM-ROUUACIJSA-N 2 1 272.436 3.069 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261834705 377859895 /nfs/dbraw/zinc/85/98/95/377859895.db2.gz UYMUDZOOWAPQMM-QZTJIDSGSA-N 2 1 272.436 3.069 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCCC(C)(C)C1 ZINC000575599718 377920623 /nfs/dbraw/zinc/92/06/23/377920623.db2.gz OHYYPNKVROXKKU-OWCLPIDISA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCCC(C)(C)C1 ZINC000575599718 377920627 /nfs/dbraw/zinc/92/06/27/377920627.db2.gz OHYYPNKVROXKKU-OWCLPIDISA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000575599718 377920630 /nfs/dbraw/zinc/92/06/30/377920630.db2.gz OHYYPNKVROXKKU-OWCLPIDISA-N 2 1 266.473 3.475 20 0 CGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000575599718 377920632 /nfs/dbraw/zinc/92/06/32/377920632.db2.gz OHYYPNKVROXKKU-OWCLPIDISA-N 2 1 266.473 3.475 20 0 CGADMP CC(C)CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)C ZINC000343542611 378014430 /nfs/dbraw/zinc/01/44/30/378014430.db2.gz XZNRURFYSHCXBT-KRWDZBQOSA-N 2 1 298.515 3.274 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)CCC[NH+](C)C ZINC000578614367 378085329 /nfs/dbraw/zinc/08/53/29/378085329.db2.gz WDFFRTPAYFSHJG-INIZCTEOSA-N 2 1 262.441 3.139 20 0 CGADMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(OC)cc1 ZINC000268800422 378114298 /nfs/dbraw/zinc/11/42/98/378114298.db2.gz JBWSVJLIQLHLAM-QGZVFWFLSA-N 2 1 287.407 3.331 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000268838473 378127736 /nfs/dbraw/zinc/12/77/36/378127736.db2.gz VCZNWPKFGFSEBK-SFHVURJKSA-N 2 1 283.419 3.111 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCn1cc[nH+]c1C ZINC000268843232 378128491 /nfs/dbraw/zinc/12/84/91/378128491.db2.gz IOLVBOCLTBOWMV-GOSISDBHSA-N 2 1 299.418 3.257 20 0 CGADMP CCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268892527 378144575 /nfs/dbraw/zinc/14/45/75/378144575.db2.gz UYMAADCCAGVBJY-AWEZNQCLSA-N 2 1 287.407 3.331 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000578664392 378090547 /nfs/dbraw/zinc/09/05/47/378090547.db2.gz LQZBHBZKNSLEAE-GOSISDBHSA-N 2 1 297.446 3.368 20 0 CGADMP Cc1ccccc1C[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000578664392 378090549 /nfs/dbraw/zinc/09/05/49/378090549.db2.gz LQZBHBZKNSLEAE-GOSISDBHSA-N 2 1 297.446 3.368 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000268697231 378093009 /nfs/dbraw/zinc/09/30/09/378093009.db2.gz CTSLPHWMEOOZDF-ZOBUZTSGSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000268773785 378107848 /nfs/dbraw/zinc/10/78/48/378107848.db2.gz ALNGUSQPVSEELE-QGZVFWFLSA-N 2 1 286.423 3.354 20 0 CGADMP CCc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000268773860 378107980 /nfs/dbraw/zinc/10/79/80/378107980.db2.gz ASKGHFJKLATKEC-GFCCVEGCSA-N 2 1 261.369 3.088 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000268783251 378109547 /nfs/dbraw/zinc/10/95/47/378109547.db2.gz DAFZEQRJKYBYFZ-JTQLQIEISA-N 2 1 281.762 3.335 20 0 CGADMP CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268786765 378110796 /nfs/dbraw/zinc/11/07/96/378110796.db2.gz CUUDRZMLMSAAOP-UHFFFAOYSA-N 2 1 292.442 3.468 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000579854828 378203458 /nfs/dbraw/zinc/20/34/58/378203458.db2.gz MKGXXJFOBNJTQQ-GXTWGEPZSA-N 2 1 287.432 3.122 20 0 CGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000579854828 378203462 /nfs/dbraw/zinc/20/34/62/378203462.db2.gz MKGXXJFOBNJTQQ-GXTWGEPZSA-N 2 1 287.432 3.122 20 0 CGADMP CC[N@@H+](CCOc1cc(C)ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345176419 378214837 /nfs/dbraw/zinc/21/48/37/378214837.db2.gz CIZADJRKEDDKES-QGZVFWFLSA-N 2 1 290.451 3.146 20 0 CGADMP Cc1ccncc1CCC[N@H+](C)CCN(C)c1ccccc1 ZINC000580010884 378215673 /nfs/dbraw/zinc/21/56/73/378215673.db2.gz QDUOMJAAOOSEKV-UHFFFAOYSA-N 2 1 297.446 3.391 20 0 CGADMP [NH3+]C[C@H](C[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000583500627 378326616 /nfs/dbraw/zinc/32/66/16/378326616.db2.gz RZFJBDNMSCKFSX-UXLLHSPISA-N 2 1 276.399 3.133 20 0 CGADMP Cc1ccc(SCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000583508077 378327555 /nfs/dbraw/zinc/32/75/55/378327555.db2.gz ZNXVFTOUSMCHGG-GJZGRUSLSA-N 2 1 278.465 3.207 20 0 CGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccn(C)c2)c1 ZINC000270596653 378372951 /nfs/dbraw/zinc/37/29/51/378372951.db2.gz DTOLWXNTTZIYKZ-UHFFFAOYSA-N 2 1 285.435 3.155 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2CCN3CCC2CC3)cc1 ZINC000584105686 378374509 /nfs/dbraw/zinc/37/45/09/378374509.db2.gz KZIPOBFIHMFQRW-UHFFFAOYSA-N 2 1 258.409 3.090 20 0 CGADMP CC(C)c1ccc(C[N@H+]2CCN3CCC2CC3)cc1 ZINC000584105686 378374513 /nfs/dbraw/zinc/37/45/13/378374513.db2.gz KZIPOBFIHMFQRW-UHFFFAOYSA-N 2 1 258.409 3.090 20 0 CGADMP Cc1nccn1CC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000270675456 378386189 /nfs/dbraw/zinc/38/61/89/378386189.db2.gz SNRSVIRSHWQONJ-KRWDZBQOSA-N 2 1 269.392 3.337 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000565618181 322084395 /nfs/dbraw/zinc/08/43/95/322084395.db2.gz BDHDNEKOFWITPZ-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP CC[N@@H+](Cc1ccco1)Cc1ccc(C[NH+](C)C)cc1 ZINC000271046908 378437014 /nfs/dbraw/zinc/43/70/14/378437014.db2.gz MJOQYMWHPYCPHI-UHFFFAOYSA-N 2 1 272.392 3.363 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@H](C)C1 ZINC000271942031 378525929 /nfs/dbraw/zinc/52/59/29/378525929.db2.gz BYPZHYVURWIGJC-ZTRSQXPZSA-N 2 1 286.463 3.427 20 0 CGADMP CC[C@H](C)C[N@@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346196455 378500222 /nfs/dbraw/zinc/50/02/22/378500222.db2.gz ZKBJOTJKHISZHJ-AWEZNQCLSA-N 2 1 286.423 3.444 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCn1cc[nH+]c1C ZINC000346313365 378540171 /nfs/dbraw/zinc/54/01/71/378540171.db2.gz PUILATKQACONQG-GOSISDBHSA-N 2 1 299.418 3.210 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCn1cc[nH+]c1C ZINC000346313365 378540176 /nfs/dbraw/zinc/54/01/76/378540176.db2.gz PUILATKQACONQG-GOSISDBHSA-N 2 1 299.418 3.210 20 0 CGADMP C[N@H+](Cc1cccc2ncccc12)C[C@@H]1CCC[NH+](C)C1 ZINC000637928666 378635451 /nfs/dbraw/zinc/63/54/51/378635451.db2.gz CPTYOGDPTXLOAA-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2ncccc12)C[C@@H]1CCC[N@H+](C)C1 ZINC000637928666 378635458 /nfs/dbraw/zinc/63/54/58/378635458.db2.gz CPTYOGDPTXLOAA-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP C[NH+](Cc1cccc2ncccc12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637928666 378635462 /nfs/dbraw/zinc/63/54/62/378635462.db2.gz CPTYOGDPTXLOAA-OAHLLOKOSA-N 2 1 283.419 3.008 20 0 CGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346652744 378662729 /nfs/dbraw/zinc/66/27/29/378662729.db2.gz HXVHCTLQULUKIY-STQMWFEESA-N 2 1 272.392 3.164 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000266175553 190236936 /nfs/dbraw/zinc/23/69/36/190236936.db2.gz DTZQURAEKQMLLS-GOSISDBHSA-N 2 1 298.430 3.242 20 0 CGADMP Cc1ccoc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000266175553 190236937 /nfs/dbraw/zinc/23/69/37/190236937.db2.gz DTZQURAEKQMLLS-GOSISDBHSA-N 2 1 298.430 3.242 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000348049345 378765656 /nfs/dbraw/zinc/76/56/56/378765656.db2.gz QNLJBXDREGLKGS-MSOLQXFVSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000348049345 378765660 /nfs/dbraw/zinc/76/56/60/378765660.db2.gz QNLJBXDREGLKGS-MSOLQXFVSA-N 2 1 290.426 3.317 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000348049345 378765664 /nfs/dbraw/zinc/76/56/64/378765664.db2.gz QNLJBXDREGLKGS-MSOLQXFVSA-N 2 1 290.426 3.317 20 0 CGADMP C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566424535 322122311 /nfs/dbraw/zinc/12/23/11/322122311.db2.gz NBRKAIXUINLIHU-RYUDHWBXSA-N 2 1 289.345 3.016 20 0 CGADMP C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000566424535 322122313 /nfs/dbraw/zinc/12/23/13/322122313.db2.gz NBRKAIXUINLIHU-RYUDHWBXSA-N 2 1 289.345 3.016 20 0 CGADMP CO[C@@H](C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C1CC1 ZINC000638435674 378802554 /nfs/dbraw/zinc/80/25/54/378802554.db2.gz VRRITXIYYCTGIT-SFHVURJKSA-N 2 1 290.451 3.041 20 0 CGADMP C(C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C[C@@H]1CCO1 ZINC000638521623 378824308 /nfs/dbraw/zinc/82/43/08/378824308.db2.gz CLIGJHAZWMDDCK-QZTJIDSGSA-N 2 1 294.483 3.190 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346836836 218031159 /nfs/dbraw/zinc/03/11/59/218031159.db2.gz VRJZBSHRQKDIEE-SZMVWBNQSA-N 2 1 288.435 3.035 20 0 CGADMP C[N@H+](CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C1CCCC1 ZINC000348240498 378857633 /nfs/dbraw/zinc/85/76/33/378857633.db2.gz ICULADVAOZXLQU-FUHWJXTLSA-N 2 1 272.436 3.254 20 0 CGADMP C[N@@H+](CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C1CCCC1 ZINC000348240498 378857642 /nfs/dbraw/zinc/85/76/42/378857642.db2.gz ICULADVAOZXLQU-FUHWJXTLSA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348241548 378858755 /nfs/dbraw/zinc/85/87/55/378858755.db2.gz JJGZBVDGGYWQOZ-IRXDYDNUSA-N 2 1 260.425 3.112 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348241548 378858761 /nfs/dbraw/zinc/85/87/61/378858761.db2.gz JJGZBVDGGYWQOZ-IRXDYDNUSA-N 2 1 260.425 3.112 20 0 CGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000638674306 378868646 /nfs/dbraw/zinc/86/86/46/378868646.db2.gz ICEPNISKBWUEET-QGZVFWFLSA-N 2 1 297.446 3.366 20 0 CGADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000274469955 378837961 /nfs/dbraw/zinc/83/79/61/378837961.db2.gz VILRPYZPHGJAFD-DZGCQCFKSA-N 2 1 278.465 3.371 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278522566 194025800 /nfs/dbraw/zinc/02/58/00/194025800.db2.gz MYELPIZGKJFIFA-IRXDYDNUSA-N 2 1 290.451 3.147 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000348267071 378874769 /nfs/dbraw/zinc/87/47/69/378874769.db2.gz ZKSWDBKWSGDRRM-NXHRZFHOSA-N 2 1 272.436 3.112 20 0 CGADMP CN(C)Cc1cnc(C[N@@H+](CC2CC2)CC2CCC2)s1 ZINC000348365104 378929509 /nfs/dbraw/zinc/92/95/09/378929509.db2.gz ZWCDDGNBWVDWIL-UHFFFAOYSA-N 2 1 293.480 3.217 20 0 CGADMP C[NH+](C)Cc1cnc(C[N@@H+](CC2CC2)CC2CCC2)s1 ZINC000348365104 378929522 /nfs/dbraw/zinc/92/95/22/378929522.db2.gz ZWCDDGNBWVDWIL-UHFFFAOYSA-N 2 1 293.480 3.217 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CCC[NH2+]C2)s1 ZINC000346976813 218076097 /nfs/dbraw/zinc/07/60/97/218076097.db2.gz KBVRBILCAXGHGO-CHWSQXEVSA-N 2 1 281.469 3.006 20 0 CGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH2+]C2)s1 ZINC000346976813 218076100 /nfs/dbraw/zinc/07/61/00/218076100.db2.gz KBVRBILCAXGHGO-CHWSQXEVSA-N 2 1 281.469 3.006 20 0 CGADMP CO[C@@H](C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000638853464 378937594 /nfs/dbraw/zinc/93/75/94/378937594.db2.gz HAZMVMLRXWCUOV-SFHVURJKSA-N 2 1 290.451 3.041 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc2cccnc12 ZINC000347031619 218098309 /nfs/dbraw/zinc/09/83/09/218098309.db2.gz AFRSCQYAQFBOFM-YOEHRIQHSA-N 2 1 283.419 3.245 20 0 CGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc2cccnc12 ZINC000347031619 218098312 /nfs/dbraw/zinc/09/83/12/218098312.db2.gz AFRSCQYAQFBOFM-YOEHRIQHSA-N 2 1 283.419 3.245 20 0 CGADMP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000347043466 218101768 /nfs/dbraw/zinc/10/17/68/218101768.db2.gz MWDVQBIZHPTRAI-CRAIPNDOSA-N 2 1 290.451 3.281 20 0 CGADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000347043447 218102677 /nfs/dbraw/zinc/10/26/77/218102677.db2.gz MVPYOHYMNONUEE-BLLLJJGKSA-N 2 1 288.366 3.255 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000347043447 218102679 /nfs/dbraw/zinc/10/26/79/218102679.db2.gz MVPYOHYMNONUEE-BLLLJJGKSA-N 2 1 288.366 3.255 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000275666386 378959348 /nfs/dbraw/zinc/95/93/48/378959348.db2.gz YNEHQDLRKRCKJC-NXHRZFHOSA-N 2 1 272.436 3.254 20 0 CGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000276717361 378985019 /nfs/dbraw/zinc/98/50/19/378985019.db2.gz DTFPLMXKGCESMO-GUYCJALGSA-N 2 1 299.418 3.200 20 0 CGADMP COc1cc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C ZINC000639081903 379007127 /nfs/dbraw/zinc/00/71/27/379007127.db2.gz WCPCZGKDMPXYAF-JKSUJKDBSA-N 2 1 290.451 3.257 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000347151376 218138836 /nfs/dbraw/zinc/13/88/36/218138836.db2.gz AWDFKJDXQBUBFD-HNNXBMFYSA-N 2 1 288.435 3.179 20 0 CGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000347151376 218138837 /nfs/dbraw/zinc/13/88/37/218138837.db2.gz AWDFKJDXQBUBFD-HNNXBMFYSA-N 2 1 288.435 3.179 20 0 CGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Nc2ccccc2)C1 ZINC000370394388 379014963 /nfs/dbraw/zinc/01/49/63/379014963.db2.gz JZGDPFIRUQRLBA-MSOLQXFVSA-N 2 1 287.451 3.047 20 0 CGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC(C)(C)Oc2ccccc2)CC1 ZINC000639106183 379030456 /nfs/dbraw/zinc/03/04/56/379030456.db2.gz WUTACCZTKBUBJL-INIZCTEOSA-N 2 1 290.451 3.260 20 0 CGADMP CCCC[C@H](CCC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246234960 804226859 /nfs/dbraw/zinc/22/68/59/804226859.db2.gz WUZLZRJBOKLUGT-STQMWFEESA-N 2 1 262.388 3.180 20 0 CGADMP COc1cccc(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161288 379079956 /nfs/dbraw/zinc/07/99/56/379079956.db2.gz AUDSKRDOMJYNKW-XYPWUTKMSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cccc(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161288 379079957 /nfs/dbraw/zinc/07/99/57/379079957.db2.gz AUDSKRDOMJYNKW-XYPWUTKMSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cccc(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161288 379079959 /nfs/dbraw/zinc/07/99/59/379079959.db2.gz AUDSKRDOMJYNKW-XYPWUTKMSA-N 2 1 288.435 3.061 20 0 CGADMP COc1cccc(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161288 379079961 /nfs/dbraw/zinc/07/99/61/379079961.db2.gz AUDSKRDOMJYNKW-XYPWUTKMSA-N 2 1 288.435 3.061 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277390266 379146232 /nfs/dbraw/zinc/14/62/32/379146232.db2.gz YWABGRUAPWNTIV-CZUORRHYSA-N 2 1 264.388 3.303 20 0 CGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277390266 379146243 /nfs/dbraw/zinc/14/62/43/379146243.db2.gz YWABGRUAPWNTIV-CZUORRHYSA-N 2 1 264.388 3.303 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1OCC ZINC000349344642 379240681 /nfs/dbraw/zinc/24/06/81/379240681.db2.gz IEEUFIHEVFTVGN-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OCC ZINC000349344642 379240689 /nfs/dbraw/zinc/24/06/89/379240689.db2.gz IEEUFIHEVFTVGN-UHFFFAOYSA-N 2 1 278.440 3.249 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000278918144 194212532 /nfs/dbraw/zinc/21/25/32/194212532.db2.gz HNLBSKJXDGZABS-QWHCGFSZSA-N 2 1 275.421 3.166 20 0 CGADMP CCC1([NH+](C)C)CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000639378161 379338179 /nfs/dbraw/zinc/33/81/79/379338179.db2.gz DEQZNXFGGHVQSD-CQSZACIVSA-N 2 1 280.481 3.485 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)cc(F)c1 ZINC000278951237 194226484 /nfs/dbraw/zinc/22/64/84/194226484.db2.gz LLMHUWCXQCRGKU-NEPJUHHUSA-N 2 1 291.345 3.075 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000278361357 379361034 /nfs/dbraw/zinc/36/10/34/379361034.db2.gz AVRGZMVEIGXXKD-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000278361357 379361044 /nfs/dbraw/zinc/36/10/44/379361044.db2.gz AVRGZMVEIGXXKD-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000278361357 379361051 /nfs/dbraw/zinc/36/10/51/379361051.db2.gz AVRGZMVEIGXXKD-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000278361357 379361054 /nfs/dbraw/zinc/36/10/54/379361054.db2.gz AVRGZMVEIGXXKD-UKRRQHHQSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000278361352 379362481 /nfs/dbraw/zinc/36/24/81/379362481.db2.gz AVRGZMVEIGXXKD-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000278361352 379362489 /nfs/dbraw/zinc/36/24/89/379362489.db2.gz AVRGZMVEIGXXKD-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000278361352 379362494 /nfs/dbraw/zinc/36/24/94/379362494.db2.gz AVRGZMVEIGXXKD-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000278361352 379362500 /nfs/dbraw/zinc/36/25/00/379362500.db2.gz AVRGZMVEIGXXKD-HIFRSBDPSA-N 2 1 294.414 3.139 20 0 CGADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(C)c1 ZINC000278970143 194235156 /nfs/dbraw/zinc/23/51/56/194235156.db2.gz NNDOWMXXUJGHJN-JKSUJKDBSA-N 2 1 283.419 3.413 20 0 CGADMP Cc1cc(C)c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(C)n1 ZINC000639674763 379541606 /nfs/dbraw/zinc/54/16/06/379541606.db2.gz PSMNTEUTRGZVSR-MJGOQNOKSA-N 2 1 296.414 3.315 20 0 CGADMP CSc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000266896541 190288716 /nfs/dbraw/zinc/28/87/16/190288716.db2.gz SPCHWMKLCFBUJD-GFCCVEGCSA-N 2 1 275.421 3.264 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccn1C ZINC000267208557 190312004 /nfs/dbraw/zinc/31/20/04/190312004.db2.gz BFUDLRNPCVTBCJ-VQIMIIECSA-N 2 1 297.446 3.025 20 0 CGADMP CC[NH+](CC)CCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639985781 379676133 /nfs/dbraw/zinc/67/61/33/379676133.db2.gz LUIBSQUJNDQAEC-UHFFFAOYSA-N 2 1 295.496 3.130 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC000377836732 379748580 /nfs/dbraw/zinc/74/85/80/379748580.db2.gz FBYYPLVJAGHHJQ-RDBSUJKOSA-N 2 1 261.413 3.002 20 0 CGADMP Cc1[nH]c2c(cc(C)cc2C[NH2+]C2CC[NH+](C)CC2)c1C ZINC000267294144 190318557 /nfs/dbraw/zinc/31/85/57/190318557.db2.gz YRZHVHLOUSTNAB-UHFFFAOYSA-N 2 1 285.435 3.277 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000280706502 379768416 /nfs/dbraw/zinc/76/84/16/379768416.db2.gz CYHKUDGYXUUZDK-VFCJXBEMSA-N 2 1 290.426 3.390 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000347755755 218346430 /nfs/dbraw/zinc/34/64/30/218346430.db2.gz XROHNWMDSWJPGF-KRWDZBQOSA-N 2 1 287.382 3.233 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000347759818 218348182 /nfs/dbraw/zinc/34/81/82/218348182.db2.gz SGPWGHVRAGMGDS-UHFFFAOYSA-N 2 1 294.483 3.190 20 0 CGADMP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352540189 379848952 /nfs/dbraw/zinc/84/89/52/379848952.db2.gz HXFHZWLGOKKXDQ-ZDUSSCGKSA-N 2 1 281.469 3.045 20 0 CGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352540189 379848954 /nfs/dbraw/zinc/84/89/54/379848954.db2.gz HXFHZWLGOKKXDQ-ZDUSSCGKSA-N 2 1 281.469 3.045 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC[C@H]1CCCCO1 ZINC000640532190 379820652 /nfs/dbraw/zinc/82/06/52/379820652.db2.gz BHHWSRBLKFIJJU-QGZVFWFLSA-N 2 1 282.472 3.144 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217981 379824232 /nfs/dbraw/zinc/82/42/32/379824232.db2.gz TXTVBBQPCVDNQM-SRCQZFHVSA-N 2 1 276.399 3.275 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217981 379824238 /nfs/dbraw/zinc/82/42/38/379824238.db2.gz TXTVBBQPCVDNQM-SRCQZFHVSA-N 2 1 276.399 3.275 20 0 CGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000402536642 379968027 /nfs/dbraw/zinc/96/80/27/379968027.db2.gz YHXOSPPTYWPIRC-YNEHKIRRSA-N 2 1 278.362 3.181 20 0 CGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000352820382 379981867 /nfs/dbraw/zinc/98/18/67/379981867.db2.gz CRCPZMIFWSZTDQ-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000352820382 379981871 /nfs/dbraw/zinc/98/18/71/379981871.db2.gz CRCPZMIFWSZTDQ-JTQLQIEISA-N 2 1 292.370 3.198 20 0 CGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C12CC3CC(CC(C3)C1)C2 ZINC000401763868 379959530 /nfs/dbraw/zinc/95/95/30/379959530.db2.gz KCLZNJMLTFBFAM-IILDEKEXSA-N 2 1 287.451 3.157 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(Cl)c2)C1 ZINC000282652942 379962272 /nfs/dbraw/zinc/96/22/72/379962272.db2.gz MAIAMBANEUQYPP-HIFRSBDPSA-N 2 1 280.843 3.202 20 0 CGADMP Cc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000352832798 379989954 /nfs/dbraw/zinc/98/99/54/379989954.db2.gz PYUBUCPYSPMVFO-GOEBONIOSA-N 2 1 278.827 3.174 20 0 CGADMP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000641717485 380059404 /nfs/dbraw/zinc/05/94/04/380059404.db2.gz BZNAUOWOGFMLIM-IAGOWNOFSA-N 2 1 294.483 3.190 20 0 CGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000353145190 380138604 /nfs/dbraw/zinc/13/86/04/380138604.db2.gz WGAMVMQPBYRNCR-KSZLIROESA-N 2 1 272.436 3.254 20 0 CGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000353145190 380138613 /nfs/dbraw/zinc/13/86/13/380138613.db2.gz WGAMVMQPBYRNCR-KSZLIROESA-N 2 1 272.436 3.254 20 0 CGADMP CC1CCC(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000353154991 380144210 /nfs/dbraw/zinc/14/42/10/380144210.db2.gz NTNDGJHHEMAXHC-MSJJKYGJSA-N 2 1 264.457 3.370 20 0 CGADMP CC1CCC(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353154991 380144217 /nfs/dbraw/zinc/14/42/17/380144217.db2.gz NTNDGJHHEMAXHC-MSJJKYGJSA-N 2 1 264.457 3.370 20 0 CGADMP CC1CCC(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000353154991 380144224 /nfs/dbraw/zinc/14/42/24/380144224.db2.gz NTNDGJHHEMAXHC-MSJJKYGJSA-N 2 1 264.457 3.370 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000353971222 380257775 /nfs/dbraw/zinc/25/77/75/380257775.db2.gz IZNOBQFHZDRRAQ-RUXDESIVSA-N 2 1 274.399 3.274 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000353971222 380257780 /nfs/dbraw/zinc/25/77/80/380257780.db2.gz IZNOBQFHZDRRAQ-RUXDESIVSA-N 2 1 274.399 3.274 20 0 CGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)C(C)(C)C ZINC000353616104 380215353 /nfs/dbraw/zinc/21/53/53/380215353.db2.gz YUHWKQBEVUAYQD-UHFFFAOYSA-N 2 1 263.429 3.310 20 0 CGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCC(C)CC1 ZINC000353611483 380215578 /nfs/dbraw/zinc/21/55/78/380215578.db2.gz YQQHMTQOIDGMRZ-YZMJHREJSA-N 2 1 294.483 3.044 20 0 CGADMP Cc1occc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000414417911 380227854 /nfs/dbraw/zinc/22/78/54/380227854.db2.gz YCXWVWFNFFVVOC-NVXWUHKLSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000414417911 380227861 /nfs/dbraw/zinc/22/78/61/380227861.db2.gz YCXWVWFNFFVVOC-NVXWUHKLSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000414417911 380227868 /nfs/dbraw/zinc/22/78/68/380227868.db2.gz YCXWVWFNFFVVOC-NVXWUHKLSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414417911 380227874 /nfs/dbraw/zinc/22/78/74/380227874.db2.gz YCXWVWFNFFVVOC-NVXWUHKLSA-N 2 1 274.408 3.037 20 0 CGADMP Cc1occc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414430911 380232168 /nfs/dbraw/zinc/23/21/68/380232168.db2.gz MXSUYTAVHIPKFU-CZUORRHYSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1occc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000414430911 380232175 /nfs/dbraw/zinc/23/21/75/380232175.db2.gz MXSUYTAVHIPKFU-CZUORRHYSA-N 2 1 276.424 3.331 20 0 CGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502483 380326525 /nfs/dbraw/zinc/32/65/25/380326525.db2.gz HVHOAKDAOWZUKO-DOMZBBRYSA-N 2 1 282.378 3.018 20 0 CGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000354105880 380326726 /nfs/dbraw/zinc/32/67/26/380326726.db2.gz FPYWLEMFKGUXFA-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000354105880 380326739 /nfs/dbraw/zinc/32/67/39/380326739.db2.gz FPYWLEMFKGUXFA-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000354105880 380326745 /nfs/dbraw/zinc/32/67/45/380326745.db2.gz FPYWLEMFKGUXFA-MRXNPFEDSA-N 2 1 297.446 3.332 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643514514 380335615 /nfs/dbraw/zinc/33/56/15/380335615.db2.gz KHPRITHDJWDHJC-DLBZAZTESA-N 2 1 260.425 3.041 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000414675339 380365888 /nfs/dbraw/zinc/36/58/88/380365888.db2.gz FTBVFLMNUULHTK-KBAYOESNSA-N 2 1 272.436 3.082 20 0 CGADMP CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677506 380367175 /nfs/dbraw/zinc/36/71/75/380367175.db2.gz OXQPORLCZRKAJE-ZBFHGGJFSA-N 2 1 278.415 3.424 20 0 CGADMP CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2F)C[C@@H]1C ZINC000354222455 380367596 /nfs/dbraw/zinc/36/75/96/380367596.db2.gz JLLQPUWYMMRQPS-GJZGRUSLSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2F)C[C@@H]1C ZINC000354222455 380367601 /nfs/dbraw/zinc/36/76/01/380367601.db2.gz JLLQPUWYMMRQPS-GJZGRUSLSA-N 2 1 294.414 3.009 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2F)C[C@@H]1C ZINC000354222455 380367605 /nfs/dbraw/zinc/36/76/05/380367605.db2.gz JLLQPUWYMMRQPS-GJZGRUSLSA-N 2 1 294.414 3.009 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000414677942 380367821 /nfs/dbraw/zinc/36/78/21/380367821.db2.gz XGYVFQRLDSQQQF-KSZLIROESA-N 2 1 272.436 3.022 20 0 CGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](F)(c3ccccc3F)C2)CC[NH2+]1 ZINC000414768397 380396230 /nfs/dbraw/zinc/39/62/30/380396230.db2.gz UYSWIXODGVYJKI-JKIFEVAISA-N 2 1 294.389 3.084 20 0 CGADMP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414693966 380376150 /nfs/dbraw/zinc/37/61/50/380376150.db2.gz SIQZKZYEEIURPG-SJORKVTESA-N 2 1 290.451 3.076 20 0 CGADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414693966 380376154 /nfs/dbraw/zinc/37/61/54/380376154.db2.gz SIQZKZYEEIURPG-SJORKVTESA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCSC3(CCCCC3)C2)CC[NH2+]1 ZINC000414699298 380379932 /nfs/dbraw/zinc/37/99/32/380379932.db2.gz FBKRGROYUVMCGS-HUUCEWRRSA-N 2 1 282.497 3.126 20 0 CGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCC2CCCCC2)CC[NH2+]1 ZINC000414703862 380381359 /nfs/dbraw/zinc/38/13/59/380381359.db2.gz YLHWFVVQEXWPCT-GDBMZVCRSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C)CCCCc2ccccc2)CC[NH2+]1 ZINC000414709079 380383364 /nfs/dbraw/zinc/38/33/64/380383364.db2.gz QWOFTNBKRMGETI-FUHWJXTLSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000414748467 380390428 /nfs/dbraw/zinc/39/04/28/380390428.db2.gz IPSFJZJJIILLGO-FUHWJXTLSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC[NH2+]1 ZINC000414754445 380393206 /nfs/dbraw/zinc/39/32/06/380393206.db2.gz FZZOQRNDESBCBU-UPJWGTAASA-N 2 1 292.389 3.285 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1Cl ZINC000643527005 380342317 /nfs/dbraw/zinc/34/23/17/380342317.db2.gz JPLFXLWLGZRGAZ-QWRGUYRKSA-N 2 1 270.804 3.125 20 0 CGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1Cl ZINC000643527006 380343428 /nfs/dbraw/zinc/34/34/28/380343428.db2.gz JPLFXLWLGZRGAZ-WDEREUQCSA-N 2 1 270.804 3.125 20 0 CGADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643529323 380346551 /nfs/dbraw/zinc/34/65/51/380346551.db2.gz YQDYJXBJLJDUJS-NXEZZACHSA-N 2 1 293.411 3.255 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414655661 380355251 /nfs/dbraw/zinc/35/52/51/380355251.db2.gz DSXPCNIAPBOIDC-BURFUSLBSA-N 2 1 272.436 3.166 20 0 CGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000643546285 380359330 /nfs/dbraw/zinc/35/93/30/380359330.db2.gz LXUCJZQVDAACSR-STQMWFEESA-N 2 1 292.398 3.160 20 0 CGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1F ZINC000643547316 380360924 /nfs/dbraw/zinc/36/09/24/380360924.db2.gz CTZBJKXEVFIOMY-GXTWGEPZSA-N 2 1 292.398 3.160 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1F ZINC000643547094 380360960 /nfs/dbraw/zinc/36/09/60/380360960.db2.gz ZPYJXWXCZNLZQQ-QWHCGFSZSA-N 2 1 262.372 3.151 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414835173 380444319 /nfs/dbraw/zinc/44/43/19/380444319.db2.gz HFIORCYOFVDIMD-OAHLLOKOSA-N 2 1 291.826 3.351 20 0 CGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000414837721 380445862 /nfs/dbraw/zinc/44/58/62/380445862.db2.gz JQKUKPZUOCMPBC-HNNXBMFYSA-N 2 1 296.842 3.346 20 0 CGADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000414851520 380453287 /nfs/dbraw/zinc/45/32/87/380453287.db2.gz PAAIHGNEIAQKMN-GUYCJALGSA-N 2 1 278.415 3.426 20 0 CGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414772786 380398642 /nfs/dbraw/zinc/39/86/42/380398642.db2.gz CLCUYRAIVLYIOK-KGLIPLIRSA-N 2 1 296.817 3.301 20 0 CGADMP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414774736 380399256 /nfs/dbraw/zinc/39/92/56/380399256.db2.gz FVSMNAJOZMBIDJ-WHOUHKNASA-N 2 1 288.410 3.160 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414772774 380399295 /nfs/dbraw/zinc/39/92/95/380399295.db2.gz CIXZWQCOZSNFRS-ZWKOTPCHSA-N 2 1 272.436 3.071 20 0 CGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414773145 380399386 /nfs/dbraw/zinc/39/93/86/380399386.db2.gz DAWSAKCGSXNCSK-DLBZAZTESA-N 2 1 272.436 3.125 20 0 CGADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414780926 380400744 /nfs/dbraw/zinc/40/07/44/380400744.db2.gz MDOKVWWUNCPCKB-UONOGXRCSA-N 2 1 293.480 3.088 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414780899 380401251 /nfs/dbraw/zinc/40/12/51/380401251.db2.gz MCZMDDWBTHGKPK-QZTJIDSGSA-N 2 1 272.436 3.125 20 0 CGADMP Cc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1Cl ZINC000414852724 380455995 /nfs/dbraw/zinc/45/59/95/380455995.db2.gz RJJBIBFLYKQHED-ZDUSSCGKSA-N 2 1 254.805 3.111 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414799644 380411903 /nfs/dbraw/zinc/41/19/03/380411903.db2.gz YIXYALMJTODLCK-SUNKGSAMSA-N 2 1 286.341 3.230 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414799644 380411910 /nfs/dbraw/zinc/41/19/10/380411910.db2.gz YIXYALMJTODLCK-SUNKGSAMSA-N 2 1 286.341 3.230 20 0 CGADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414918456 380487404 /nfs/dbraw/zinc/48/74/04/380487404.db2.gz ULTNMJXCVBFCOC-INIZCTEOSA-N 2 1 296.842 3.218 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[NH2+]1 ZINC000414943960 380500460 /nfs/dbraw/zinc/50/04/60/380500460.db2.gz FZNMTVQTFPZCMJ-HOCLYGCPSA-N 2 1 288.435 3.238 20 0 CGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCSCc2ccccc2)CC1 ZINC000279122701 194293989 /nfs/dbraw/zinc/29/39/89/194293989.db2.gz UPMDRDFETSLFIX-QGZVFWFLSA-N 2 1 292.492 3.336 20 0 CGADMP Cc1cc(C)c(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1C ZINC000414885186 380473863 /nfs/dbraw/zinc/47/38/63/380473863.db2.gz VJYIDZWDOFBOMG-UHFFFAOYSA-N 2 1 297.446 3.276 20 0 CGADMP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414883275 380474722 /nfs/dbraw/zinc/47/47/22/380474722.db2.gz DGDBPGWVXGNQQC-GOSISDBHSA-N 2 1 296.414 3.189 20 0 CGADMP [NH3+][C@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)C1CC1 ZINC000414892358 380475594 /nfs/dbraw/zinc/47/55/94/380475594.db2.gz JATNXBDXWYLMTB-OAHLLOKOSA-N 2 1 290.407 3.381 20 0 CGADMP C/C(=C/c1ccccc1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644843071 380527537 /nfs/dbraw/zinc/52/75/37/380527537.db2.gz MEYBECYZGOOQHH-XSVZSIDJSA-N 2 1 270.420 3.118 20 0 CGADMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644843071 380527542 /nfs/dbraw/zinc/52/75/42/380527542.db2.gz MEYBECYZGOOQHH-XSVZSIDJSA-N 2 1 270.420 3.118 20 0 CGADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644843071 380527547 /nfs/dbraw/zinc/52/75/47/380527547.db2.gz MEYBECYZGOOQHH-XSVZSIDJSA-N 2 1 270.420 3.118 20 0 CGADMP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)C1CCCCC1 ZINC000645112275 380585646 /nfs/dbraw/zinc/58/56/46/380585646.db2.gz GDSZFPBAAPLQLJ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)C1CCCCC1 ZINC000645112275 380585651 /nfs/dbraw/zinc/58/56/51/380585651.db2.gz GDSZFPBAAPLQLJ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)C1CCCCC1 ZINC000645112275 380585654 /nfs/dbraw/zinc/58/56/54/380585654.db2.gz GDSZFPBAAPLQLJ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)C1CCCCC1 ZINC000645112275 380585657 /nfs/dbraw/zinc/58/56/57/380585657.db2.gz GDSZFPBAAPLQLJ-HYVNUMGLSA-N 2 1 264.457 3.229 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC000645188241 380609117 /nfs/dbraw/zinc/60/91/17/380609117.db2.gz VIDUJMBATLIBMN-ROUUACIJSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCc4ccccc43)C2)C1 ZINC000645188241 380609122 /nfs/dbraw/zinc/60/91/22/380609122.db2.gz VIDUJMBATLIBMN-ROUUACIJSA-N 2 1 270.420 3.092 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCc4ccccc43)C2)C1 ZINC000645188241 380609130 /nfs/dbraw/zinc/60/91/30/380609130.db2.gz VIDUJMBATLIBMN-ROUUACIJSA-N 2 1 270.420 3.092 20 0 CGADMP C1=C(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000645837947 380747146 /nfs/dbraw/zinc/74/71/46/380747146.db2.gz UYGXKOBARIXMOY-WBVHZDCISA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000645837947 380747149 /nfs/dbraw/zinc/74/71/49/380747149.db2.gz UYGXKOBARIXMOY-WBVHZDCISA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000645837947 380747153 /nfs/dbraw/zinc/74/71/53/380747153.db2.gz UYGXKOBARIXMOY-WBVHZDCISA-N 2 1 260.425 3.045 20 0 CGADMP C1=C(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000645837947 380747156 /nfs/dbraw/zinc/74/71/56/380747156.db2.gz UYGXKOBARIXMOY-WBVHZDCISA-N 2 1 260.425 3.045 20 0 CGADMP CC[C@@H](C)C[N@@H+](CC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314575 380847353 /nfs/dbraw/zinc/84/73/53/380847353.db2.gz ZACPKQIJGZTSOP-ZBFHGGJFSA-N 2 1 278.440 3.106 20 0 CGADMP CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H](C)[NH3+] ZINC000420324442 380848824 /nfs/dbraw/zinc/84/88/24/380848824.db2.gz VIVLDJWMANZMOD-NSHDSACASA-N 2 1 285.229 3.007 20 0 CGADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H](C)[NH3+] ZINC000420324442 380848833 /nfs/dbraw/zinc/84/88/33/380848833.db2.gz VIVLDJWMANZMOD-NSHDSACASA-N 2 1 285.229 3.007 20 0 CGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000356845826 380899547 /nfs/dbraw/zinc/89/95/47/380899547.db2.gz IKEIOEYRJCRYDJ-KBRIMQKVSA-N 2 1 275.440 3.386 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000421389149 380934986 /nfs/dbraw/zinc/93/49/86/380934986.db2.gz WTNMUTWJFWFSFN-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000421389149 380934996 /nfs/dbraw/zinc/93/49/96/380934996.db2.gz WTNMUTWJFWFSFN-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(C4CC4)c3)C2)C1 ZINC000421389149 380935006 /nfs/dbraw/zinc/93/50/06/380935006.db2.gz WTNMUTWJFWFSFN-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000359193249 381338799 /nfs/dbraw/zinc/33/87/99/381338799.db2.gz JEHOXFULQGSPRM-MRXNPFEDSA-N 2 1 294.414 3.359 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000359193249 381338804 /nfs/dbraw/zinc/33/88/04/381338804.db2.gz JEHOXFULQGSPRM-MRXNPFEDSA-N 2 1 294.414 3.359 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000359642872 381359173 /nfs/dbraw/zinc/35/91/73/381359173.db2.gz OGCIJJFZGALCOF-DOTOQJQBSA-N 2 1 272.436 3.038 20 0 CGADMP COC1(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000359973055 381394868 /nfs/dbraw/zinc/39/48/68/381394868.db2.gz ZXWPMAHFSZGILG-MRXNPFEDSA-N 2 1 282.472 3.047 20 0 CGADMP Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000360214333 381481493 /nfs/dbraw/zinc/48/14/93/381481493.db2.gz VMIYIAAVFWLHFT-IMJJTQAJSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000360214333 381481502 /nfs/dbraw/zinc/48/15/02/381481502.db2.gz VMIYIAAVFWLHFT-IMJJTQAJSA-N 2 1 261.413 3.092 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000360214333 381481509 /nfs/dbraw/zinc/48/15/09/381481509.db2.gz VMIYIAAVFWLHFT-IMJJTQAJSA-N 2 1 261.413 3.092 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000334862276 207206400 /nfs/dbraw/zinc/20/64/00/207206400.db2.gz JTBDSZNMWNQSEW-KOLCDFICSA-N 2 1 273.207 3.224 20 0 CGADMP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000334882543 207238891 /nfs/dbraw/zinc/23/88/91/207238891.db2.gz OKJSFHXLANCBNN-FOSCPWQOSA-N 2 1 285.218 3.366 20 0 CGADMP CC[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604427 542292103 /nfs/dbraw/zinc/29/21/03/542292103.db2.gz IYHISARURGGOSY-WOSRLPQWSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1F ZINC000226604427 542292107 /nfs/dbraw/zinc/29/21/07/542292107.db2.gz IYHISARURGGOSY-WOSRLPQWSA-N 2 1 264.388 3.349 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000363459516 382225064 /nfs/dbraw/zinc/22/50/64/382225064.db2.gz NMGHEMWPQQOEBY-QGZVFWFLSA-N 2 1 299.418 3.427 20 0 CGADMP COc1ccccc1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000363459516 382225070 /nfs/dbraw/zinc/22/50/70/382225070.db2.gz NMGHEMWPQQOEBY-QGZVFWFLSA-N 2 1 299.418 3.427 20 0 CGADMP C[C@@H](Cc1ccccc1)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000235165264 542310821 /nfs/dbraw/zinc/31/08/21/542310821.db2.gz QRSZJTHEDLTYEB-INIZCTEOSA-N 2 1 268.404 3.079 20 0 CGADMP C[C@@H](Cc1ccccc1)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000235165264 542310823 /nfs/dbraw/zinc/31/08/23/542310823.db2.gz QRSZJTHEDLTYEB-INIZCTEOSA-N 2 1 268.404 3.079 20 0 CGADMP CCc1ccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000247982957 542332461 /nfs/dbraw/zinc/33/24/61/542332461.db2.gz INQXLMONOSCWMH-QAPCUYQASA-N 2 1 274.452 3.111 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1[NH3+] ZINC000251595424 542346892 /nfs/dbraw/zinc/34/68/92/542346892.db2.gz CVTHUKVAXURZNT-WMLDXEAASA-N 2 1 258.409 3.123 20 0 CGADMP Clc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250114237 542342182 /nfs/dbraw/zinc/34/21/82/542342182.db2.gz LOGQEDAIWOLBDE-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP Clc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250114237 542342187 /nfs/dbraw/zinc/34/21/87/542342187.db2.gz LOGQEDAIWOLBDE-GOEBONIOSA-N 2 1 278.827 3.304 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2ccc(C)c(C)c2)CC[C@H]1[NH3+] ZINC000251890771 542348647 /nfs/dbraw/zinc/34/86/47/542348647.db2.gz VZGGZQGDTDQBRT-SJLPKXTDSA-N 2 1 290.451 3.132 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413525 542350114 /nfs/dbraw/zinc/35/01/14/542350114.db2.gz DPILZLPNGPPYMI-DJIMGWMZSA-N 2 1 258.409 3.212 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252211937 542350129 /nfs/dbraw/zinc/35/01/29/542350129.db2.gz WPBIPHZFXWCCMA-BLNMRFBMSA-N 2 1 250.430 3.028 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000268784085 542361145 /nfs/dbraw/zinc/36/11/45/542361145.db2.gz DFNRMYSLCXLFBD-AWEZNQCLSA-N 2 1 291.395 3.157 20 0 CGADMP CC[N@@H+](C[C@@H]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC000261745866 285031876 /nfs/dbraw/zinc/03/18/76/285031876.db2.gz BURGSDLBKAUOIA-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3cccnc31)CC[NH2+]CC2 ZINC000335281268 208090715 /nfs/dbraw/zinc/09/07/15/208090715.db2.gz OGRLFJMKBZYPLM-HNNXBMFYSA-N 2 1 295.430 3.199 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000335359423 208270374 /nfs/dbraw/zinc/27/03/74/208270374.db2.gz ISGVOWWVRVSSSI-UONOGXRCSA-N 2 1 269.392 3.107 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C)C[C@@H]1C ZINC000353746639 220295137 /nfs/dbraw/zinc/29/51/37/220295137.db2.gz MKTKRZMKSHRYIP-YOEHRIQHSA-N 2 1 278.415 3.439 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C)C[C@@H]1C ZINC000353746639 220295139 /nfs/dbraw/zinc/29/51/39/220295139.db2.gz MKTKRZMKSHRYIP-YOEHRIQHSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C)C[C@@H]1C ZINC000353746639 220295140 /nfs/dbraw/zinc/29/51/40/220295140.db2.gz MKTKRZMKSHRYIP-YOEHRIQHSA-N 2 1 278.415 3.439 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)C[C@@H]1C ZINC000353746639 220295143 /nfs/dbraw/zinc/29/51/43/220295143.db2.gz MKTKRZMKSHRYIP-YOEHRIQHSA-N 2 1 278.415 3.439 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353773836 220322778 /nfs/dbraw/zinc/32/27/78/220322778.db2.gz FEFDTGIKWMHZNN-ATLSCFEFSA-N 2 1 272.436 3.428 20 0 CGADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353773836 220322782 /nfs/dbraw/zinc/32/27/82/220322782.db2.gz FEFDTGIKWMHZNN-ATLSCFEFSA-N 2 1 272.436 3.428 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000289325372 197297615 /nfs/dbraw/zinc/29/76/15/197297615.db2.gz KJXAKXSTYPMABO-HNNXBMFYSA-N 2 1 298.496 3.129 20 0 CGADMP COc1ccsc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423260688 533102409 /nfs/dbraw/zinc/10/24/09/533102409.db2.gz ICXNIUKVVGUDDL-WCQYABFASA-N 2 1 282.453 3.315 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1C[C@@H]1C ZINC000322226392 542440957 /nfs/dbraw/zinc/44/09/57/542440957.db2.gz YNWKSWILCYGYIA-BLSAQUIMSA-N 2 1 250.430 3.026 20 0 CGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1C[C@@H]1C ZINC000322226392 542440960 /nfs/dbraw/zinc/44/09/60/542440960.db2.gz YNWKSWILCYGYIA-BLSAQUIMSA-N 2 1 250.430 3.026 20 0 CGADMP COCCC1(C[NH2+]CCC[N@@H+](C)C(C)C)CCCCC1 ZINC000436280145 533206691 /nfs/dbraw/zinc/20/66/91/533206691.db2.gz KFUZQYVFWKFGMU-UHFFFAOYSA-N 2 1 284.488 3.293 20 0 CGADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000281514687 195271464 /nfs/dbraw/zinc/27/14/64/195271464.db2.gz HJNNNGSDVDYCSI-ZWKOTPCHSA-N 2 1 299.462 3.268 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(O)c1 ZINC000281624820 195313117 /nfs/dbraw/zinc/31/31/17/195313117.db2.gz CNMACZZRSXCLQW-CYBMUJFWSA-N 2 1 274.408 3.060 20 0 CGADMP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)c2c1 ZINC000423269437 533356977 /nfs/dbraw/zinc/35/69/77/533356977.db2.gz HDZVTJSBVWXAFN-IUODEOHRSA-N 2 1 290.407 3.384 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)[C@H](C)[NH3+] ZINC000423453735 533501992 /nfs/dbraw/zinc/50/19/92/533501992.db2.gz XZGIODRBAOVLTL-MJBXVCDLSA-N 2 1 269.392 3.135 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[NH2+]1 ZINC000423367615 533657997 /nfs/dbraw/zinc/65/79/97/533657997.db2.gz DLQYPZFPYZOBLP-UHIISALHSA-N 2 1 280.412 3.093 20 0 CGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000414922470 542640593 /nfs/dbraw/zinc/64/05/93/542640593.db2.gz GYIPYMOLDPZNBB-UWVGGRQHSA-N 2 1 291.197 3.492 20 0 CGADMP C[NH+](C)CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037213698 391980447 /nfs/dbraw/zinc/98/04/47/391980447.db2.gz CXPIBABJRQDABB-CYBMUJFWSA-N 2 1 284.856 3.418 20 0 CGADMP CCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000106868902 392310714 /nfs/dbraw/zinc/31/07/14/392310714.db2.gz OAKPDLWGHCTBLU-QDIHITRGSA-N 2 1 250.430 3.172 20 0 CGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000249376544 131121141 /nfs/dbraw/zinc/12/11/41/131121141.db2.gz KQLUNVXWSMHONR-ZIAGYGMSSA-N 2 1 272.392 3.425 20 0 CGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000249376544 131121143 /nfs/dbraw/zinc/12/11/43/131121143.db2.gz KQLUNVXWSMHONR-ZIAGYGMSSA-N 2 1 272.392 3.425 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000252646861 131136530 /nfs/dbraw/zinc/13/65/30/131136530.db2.gz SOVQROBWRDGQRM-UBHSHLNASA-N 2 1 280.362 3.242 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000252646861 131136532 /nfs/dbraw/zinc/13/65/32/131136532.db2.gz SOVQROBWRDGQRM-UBHSHLNASA-N 2 1 280.362 3.242 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000261824035 131171754 /nfs/dbraw/zinc/17/17/54/131171754.db2.gz SMZXZXJOFHDDPE-OAHLLOKOSA-N 2 1 278.827 3.129 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124038491 392432111 /nfs/dbraw/zinc/43/21/11/392432111.db2.gz FYEOYUKYKPEYBO-NXHRZFHOSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000124038491 392432112 /nfs/dbraw/zinc/43/21/12/392432112.db2.gz FYEOYUKYKPEYBO-NXHRZFHOSA-N 2 1 272.436 3.349 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000124038491 392432114 /nfs/dbraw/zinc/43/21/14/392432114.db2.gz FYEOYUKYKPEYBO-NXHRZFHOSA-N 2 1 272.436 3.349 20 0 CGADMP CCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134872133 392468059 /nfs/dbraw/zinc/46/80/59/392468059.db2.gz UXOLYCVQZQQPIM-ZBFHGGJFSA-N 2 1 250.430 3.125 20 0 CGADMP CCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134872133 392468061 /nfs/dbraw/zinc/46/80/61/392468061.db2.gz UXOLYCVQZQQPIM-ZBFHGGJFSA-N 2 1 250.430 3.125 20 0 CGADMP CCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134872133 392468064 /nfs/dbraw/zinc/46/80/64/392468064.db2.gz UXOLYCVQZQQPIM-ZBFHGGJFSA-N 2 1 250.430 3.125 20 0 CGADMP CC1(C)CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130254096 392453367 /nfs/dbraw/zinc/45/33/67/392453367.db2.gz SMVZLGNVZAKXRW-ZNMIVQPWSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000132104340 392459051 /nfs/dbraw/zinc/45/90/51/392459051.db2.gz ZHEDKORMSUMEJN-PBHICJAKSA-N 2 1 290.426 3.177 20 0 CGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000153740962 392528517 /nfs/dbraw/zinc/52/85/17/392528517.db2.gz KEBMCYSBENGPLI-UHFFFAOYSA-N 2 1 289.467 3.334 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000369222820 392498119 /nfs/dbraw/zinc/49/81/19/392498119.db2.gz BVYPGKFKZDZPBI-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP CCCC[C@@H](CC)CC[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000472626097 542702072 /nfs/dbraw/zinc/70/20/72/542702072.db2.gz MZKNVBDUTPDYGI-MRXNPFEDSA-N 2 1 284.488 3.029 20 0 CGADMP CCOc1ccccc1CN(C)CC[C@@H]1CCC[N@H+]1C ZINC000161896679 392587718 /nfs/dbraw/zinc/58/77/18/392587718.db2.gz BGDMBSJUEURXMQ-INIZCTEOSA-N 2 1 276.424 3.001 20 0 CGADMP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000372182005 392591602 /nfs/dbraw/zinc/59/16/02/392591602.db2.gz WQDGVCPMCZOJNM-INLBYDQNSA-N 2 1 274.383 3.055 20 0 CGADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)CCC2 ZINC000163265037 392604139 /nfs/dbraw/zinc/60/41/39/392604139.db2.gz WBWHLHBOHQYVNR-QWHCGFSZSA-N 2 1 293.480 3.014 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110014 392545293 /nfs/dbraw/zinc/54/52/93/392545293.db2.gz FBKLEVMJVBQPQD-QWQRMKEZSA-N 2 1 272.436 3.309 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110014 392545297 /nfs/dbraw/zinc/54/52/97/392545297.db2.gz FBKLEVMJVBQPQD-QWQRMKEZSA-N 2 1 272.436 3.309 20 0 CGADMP CCO[C@@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000157598515 392550986 /nfs/dbraw/zinc/55/09/86/392550986.db2.gz MHAMEZADVAJWRI-PVAVHDDUSA-N 2 1 282.472 3.044 20 0 CGADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)c1 ZINC000647332672 392678739 /nfs/dbraw/zinc/67/87/39/392678739.db2.gz BXEBTXSVDYOFAL-DOTOQJQBSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)c1 ZINC000647332672 392678749 /nfs/dbraw/zinc/67/87/49/392678749.db2.gz BXEBTXSVDYOFAL-DOTOQJQBSA-N 2 1 272.436 3.447 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000334430220 392727352 /nfs/dbraw/zinc/72/73/52/392727352.db2.gz ZXBWSBRJOJJHJI-DZGCQCFKSA-N 2 1 280.362 3.209 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)C[C@@H]1c1ccccc1 ZINC000334430220 392727355 /nfs/dbraw/zinc/72/73/55/392727355.db2.gz ZXBWSBRJOJJHJI-DZGCQCFKSA-N 2 1 280.362 3.209 20 0 CGADMP CCCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506567208 392728517 /nfs/dbraw/zinc/72/85/17/392728517.db2.gz QJMZPOFQNOIQFB-MSOLQXFVSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506567208 392728522 /nfs/dbraw/zinc/72/85/22/392728522.db2.gz QJMZPOFQNOIQFB-MSOLQXFVSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506567208 392728528 /nfs/dbraw/zinc/72/85/28/392728528.db2.gz QJMZPOFQNOIQFB-MSOLQXFVSA-N 2 1 296.499 3.390 20 0 CGADMP CCCCOCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506567208 392728535 /nfs/dbraw/zinc/72/85/35/392728535.db2.gz QJMZPOFQNOIQFB-MSOLQXFVSA-N 2 1 296.499 3.390 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC[C@H]1[NH3+] ZINC000647498194 392742484 /nfs/dbraw/zinc/74/24/84/392742484.db2.gz CMCCJYFZMAGDSH-XHDPSFHLSA-N 2 1 276.355 3.131 20 0 CGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000647512927 392744456 /nfs/dbraw/zinc/74/44/56/392744456.db2.gz SWQIFNPJGYOWSF-AWEZNQCLSA-N 2 1 286.341 3.137 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000647512927 392744458 /nfs/dbraw/zinc/74/44/58/392744458.db2.gz SWQIFNPJGYOWSF-AWEZNQCLSA-N 2 1 286.341 3.137 20 0 CGADMP Cc1ccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CCC2)cc1 ZINC000647353249 392701485 /nfs/dbraw/zinc/70/14/85/392701485.db2.gz UZBFVUAPHLOUFS-NVXWUHKLSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CCC2)cc1 ZINC000647353249 392701488 /nfs/dbraw/zinc/70/14/88/392701488.db2.gz UZBFVUAPHLOUFS-NVXWUHKLSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)cc1 ZINC000647353248 392702086 /nfs/dbraw/zinc/70/20/86/392702086.db2.gz UZBFVUAPHLOUFS-DOTOQJQBSA-N 2 1 272.436 3.447 20 0 CGADMP Cc1ccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)cc1 ZINC000647353248 392702093 /nfs/dbraw/zinc/70/20/93/392702093.db2.gz UZBFVUAPHLOUFS-DOTOQJQBSA-N 2 1 272.436 3.447 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000647552737 392765679 /nfs/dbraw/zinc/76/56/79/392765679.db2.gz UJAXDYRLXBVOJQ-NWDGAFQWSA-N 2 1 275.421 3.026 20 0 CGADMP CC[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936894 392837561 /nfs/dbraw/zinc/83/75/61/392837561.db2.gz MXKUIWSIRWNHBH-CZUORRHYSA-N 2 1 296.842 3.168 20 0 CGADMP CC[C@H]1C[N@@H+](CCSc2ccc(C)c(C)c2)CC[C@@H]1[NH3+] ZINC000647936794 392837783 /nfs/dbraw/zinc/83/77/83/392837783.db2.gz LMGQLHROUVSZGJ-RDJZCZTQSA-N 2 1 292.492 3.455 20 0 CGADMP Cc1ccc(OCC[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000647873490 392818767 /nfs/dbraw/zinc/81/87/67/392818767.db2.gz PRVOSHDSETXOKR-UHFFFAOYSA-N 2 1 290.451 3.085 20 0 CGADMP Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879890 392822671 /nfs/dbraw/zinc/82/26/71/392822671.db2.gz VCQQCOAKOHABMH-CHWSQXEVSA-N 2 1 296.817 3.096 20 0 CGADMP Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879890 392822681 /nfs/dbraw/zinc/82/26/81/392822681.db2.gz VCQQCOAKOHABMH-CHWSQXEVSA-N 2 1 296.817 3.096 20 0 CGADMP c1ccc(CC[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000647884163 392825012 /nfs/dbraw/zinc/82/50/12/392825012.db2.gz VGRSJQROQGRXHX-KRWDZBQOSA-N 2 1 272.436 3.083 20 0 CGADMP c1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCS2)cc1 ZINC000647885683 392826262 /nfs/dbraw/zinc/82/62/62/392826262.db2.gz FINKCZGEEYXOGB-KRWDZBQOSA-N 2 1 290.476 3.166 20 0 CGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000647903561 392829125 /nfs/dbraw/zinc/82/91/25/392829125.db2.gz LWJHSXRWEPTYMB-HZPDHXFCSA-N 2 1 278.465 3.145 20 0 CGADMP Fc1ccc(F)c(C[N@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647890765 392829241 /nfs/dbraw/zinc/82/92/41/392829241.db2.gz OOIBVHVEIVTXKO-ZDUSSCGKSA-N 2 1 294.389 3.319 20 0 CGADMP Fc1ccc(F)c(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647890765 392829246 /nfs/dbraw/zinc/82/92/46/392829246.db2.gz OOIBVHVEIVTXKO-ZDUSSCGKSA-N 2 1 294.389 3.319 20 0 CGADMP Fc1cccc(CC[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647891624 392829451 /nfs/dbraw/zinc/82/94/51/392829451.db2.gz YNVWWKKJYWYZAK-MRXNPFEDSA-N 2 1 290.426 3.222 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCC(C)(C)C)cc1 ZINC000647997449 392860263 /nfs/dbraw/zinc/86/02/63/392860263.db2.gz FPXQZKMEJGFGCM-HNNXBMFYSA-N 2 1 278.440 3.106 20 0 CGADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000394571534 392938346 /nfs/dbraw/zinc/93/83/46/392938346.db2.gz PEXWXWJZSBZFJA-HCMIALLCSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194884087 392943543 /nfs/dbraw/zinc/94/35/43/392943543.db2.gz DPHCWTBXNUDRCG-LSDHHAIUSA-N 2 1 276.424 3.163 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194884087 392943547 /nfs/dbraw/zinc/94/35/47/392943547.db2.gz DPHCWTBXNUDRCG-LSDHHAIUSA-N 2 1 276.424 3.163 20 0 CGADMP [NH3+]C1(C[NH2+]Cc2scnc2C2CC2)CCCCCC1 ZINC000516258129 542735639 /nfs/dbraw/zinc/73/56/39/542735639.db2.gz NBIPPNXKBDSXTM-UHFFFAOYSA-N 2 1 279.453 3.162 20 0 CGADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340312105 392970056 /nfs/dbraw/zinc/97/00/56/392970056.db2.gz MWRADOYIQDSIPH-RBUKOAKNSA-N 2 1 295.430 3.315 20 0 CGADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340312105 392970061 /nfs/dbraw/zinc/97/00/61/392970061.db2.gz MWRADOYIQDSIPH-RBUKOAKNSA-N 2 1 295.430 3.315 20 0 CGADMP CCCCCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415014010 393097169 /nfs/dbraw/zinc/09/71/69/393097169.db2.gz WDSMYPGWSQYLJV-UONOGXRCSA-N 2 1 264.413 3.081 20 0 CGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000344085336 393037244 /nfs/dbraw/zinc/03/72/44/393037244.db2.gz PXSAINUBNDUNKE-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000344085336 393037252 /nfs/dbraw/zinc/03/72/52/393037252.db2.gz PXSAINUBNDUNKE-INIZCTEOSA-N 2 1 296.499 3.436 20 0 CGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)CC(F)(F)F ZINC000414261843 393045532 /nfs/dbraw/zinc/04/55/32/393045532.db2.gz IXVYDCWBUWELKE-AGIUHOORSA-N 2 1 280.378 3.285 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000245992364 393050124 /nfs/dbraw/zinc/05/01/24/393050124.db2.gz QXGZSCJKRJWOHK-XBVQOTNRSA-N 2 1 282.472 3.043 20 0 CGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000245992364 393050127 /nfs/dbraw/zinc/05/01/27/393050127.db2.gz QXGZSCJKRJWOHK-XBVQOTNRSA-N 2 1 282.472 3.043 20 0 CGADMP CC1CCC([N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C2CC2)CC1 ZINC000414713490 393052194 /nfs/dbraw/zinc/05/21/94/393052194.db2.gz VRIIITOXWCACLZ-PWUWZPNHSA-N 2 1 264.457 3.418 20 0 CGADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415037655 393106289 /nfs/dbraw/zinc/10/62/89/393106289.db2.gz GZRQIWSKJRDULV-WMZOPIPTSA-N 2 1 288.435 3.049 20 0 CGADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695684 393053063 /nfs/dbraw/zinc/05/30/63/393053063.db2.gz GYYCMUSGNSXHDX-KBAYOESNSA-N 2 1 274.452 3.328 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC000546626617 393060736 /nfs/dbraw/zinc/06/07/36/393060736.db2.gz YFVGLUWNMAKCSX-VGAPYMQISA-N 2 1 272.436 3.251 20 0 CGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC000546626617 393060742 /nfs/dbraw/zinc/06/07/42/393060742.db2.gz YFVGLUWNMAKCSX-VGAPYMQISA-N 2 1 272.436 3.251 20 0 CGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414955347 393063395 /nfs/dbraw/zinc/06/33/95/393063395.db2.gz UCHUROFIMPGVHU-TVQRCGJNSA-N 2 1 290.304 3.075 20 0 CGADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415035663 393107233 /nfs/dbraw/zinc/10/72/33/393107233.db2.gz FAQSBRDCUUDPGF-RHSMWYFYSA-N 2 1 276.399 3.098 20 0 CGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000348316517 393119970 /nfs/dbraw/zinc/11/99/70/393119970.db2.gz IUOZKJIVMCIBEQ-BGTYHANMSA-N 2 1 290.426 3.377 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000348316517 393119973 /nfs/dbraw/zinc/11/99/73/393119973.db2.gz IUOZKJIVMCIBEQ-BGTYHANMSA-N 2 1 290.426 3.377 20 0 CGADMP [NH3+]C[C@H]([NH2+]CCSCc1ccccc1)C1CCCC1 ZINC000415071265 393128630 /nfs/dbraw/zinc/12/86/30/393128630.db2.gz WIQIRRWHPSBQDI-INIZCTEOSA-N 2 1 278.465 3.027 20 0 CGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccnc1 ZINC000415079116 393132288 /nfs/dbraw/zinc/13/22/88/393132288.db2.gz HHKATQZIWGKGBG-WBAXXEDZSA-N 2 1 281.403 3.226 20 0 CGADMP CC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC1 ZINC000415079844 393133984 /nfs/dbraw/zinc/13/39/84/393133984.db2.gz IOPPTCGWPLLXTJ-HOTGVXAUSA-N 2 1 258.409 3.260 20 0 CGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2C2CCCC2)CC[NH2+]1 ZINC000261572649 393141695 /nfs/dbraw/zinc/14/16/95/393141695.db2.gz LWIHMTYOMGQXNY-IIAWOOMASA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)CCOc1ccccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415092539 393143602 /nfs/dbraw/zinc/14/36/02/393143602.db2.gz SZDZJKZXYZZFPU-GOSISDBHSA-N 2 1 290.451 3.201 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC000646243312 393245636 /nfs/dbraw/zinc/24/56/36/393245636.db2.gz HYPBYQNFMUEEAX-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000646243312 393245644 /nfs/dbraw/zinc/24/56/44/393245644.db2.gz HYPBYQNFMUEEAX-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3C3CC3)C2)C1 ZINC000646243312 393245648 /nfs/dbraw/zinc/24/56/48/393245648.db2.gz HYPBYQNFMUEEAX-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC000646243208 393245730 /nfs/dbraw/zinc/24/57/30/393245730.db2.gz GIBTXPXTEMKAQH-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC000646243208 393245740 /nfs/dbraw/zinc/24/57/40/393245740.db2.gz GIBTXPXTEMKAQH-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC000646243208 393245749 /nfs/dbraw/zinc/24/57/49/393245749.db2.gz GIBTXPXTEMKAQH-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC000646243208 393245754 /nfs/dbraw/zinc/24/57/54/393245754.db2.gz GIBTXPXTEMKAQH-SFHVURJKSA-N 2 1 283.419 3.086 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271172599 393246851 /nfs/dbraw/zinc/24/68/51/393246851.db2.gz FRUKDCLJZHCUIX-OAHLLOKOSA-N 2 1 285.435 3.332 20 0 CGADMP Cc1ccc2[nH+]ccc(N3CC[C@@H]4CC[N@H+](C)C[C@H]43)c2c1 ZINC000354591478 393247081 /nfs/dbraw/zinc/24/70/81/393247081.db2.gz HEOOCDBMLOTVSZ-KBXCAEBGSA-N 2 1 281.403 3.074 20 0 CGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC23CCCC3)s1 ZINC000352698645 393205869 /nfs/dbraw/zinc/20/58/69/393205869.db2.gz VIPSEGRFPSNBMB-ZDUSSCGKSA-N 2 1 279.453 3.017 20 0 CGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1C)CCC2 ZINC000268857014 393206847 /nfs/dbraw/zinc/20/68/47/393206847.db2.gz LSFXJZRUTQISTI-SFHVURJKSA-N 2 1 299.418 3.257 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1F ZINC000475355217 393396408 /nfs/dbraw/zinc/39/64/08/393396408.db2.gz UUYOZMCGEVDQOW-LSDHHAIUSA-N 2 1 280.431 3.467 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000474475044 393341152 /nfs/dbraw/zinc/34/11/52/393341152.db2.gz MJOHIYWDGPMFDI-FGTMMUONSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)C[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000479698324 393433867 /nfs/dbraw/zinc/43/38/67/393433867.db2.gz CRJPIQUSCMLXRW-MRXNPFEDSA-N 2 1 252.446 3.277 20 0 CGADMP [NH3+]C1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000420275508 393447362 /nfs/dbraw/zinc/44/73/62/393447362.db2.gz QIKXYLFEIIGMOH-UHFFFAOYSA-N 2 1 282.387 3.402 20 0 CGADMP CC(C)[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1C ZINC000487060187 393448445 /nfs/dbraw/zinc/44/84/45/393448445.db2.gz KEXQAHQZYXEKTC-QGZVFWFLSA-N 2 1 287.382 3.150 20 0 CGADMP CC(C)[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1C ZINC000487060187 393448451 /nfs/dbraw/zinc/44/84/51/393448451.db2.gz KEXQAHQZYXEKTC-QGZVFWFLSA-N 2 1 287.382 3.150 20 0 CGADMP Cc1cc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c2ccccc2[nH+]1 ZINC000487045679 393448818 /nfs/dbraw/zinc/44/88/18/393448818.db2.gz LVJKOFYSDKJANI-SFHVURJKSA-N 2 1 283.419 3.320 20 0 CGADMP CC[C@H](C)[C@@H](C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420294154 393451652 /nfs/dbraw/zinc/45/16/52/393451652.db2.gz ARTNRDXSIILVSL-ZNMIVQPWSA-N 2 1 252.446 3.275 20 0 CGADMP c1csc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420296846 393452819 /nfs/dbraw/zinc/45/28/19/393452819.db2.gz CDPLILWVVVGRMI-KBPBESRZSA-N 2 1 264.438 3.275 20 0 CGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CC(C)C)C(C)C)cc1 ZINC000420298684 393453123 /nfs/dbraw/zinc/45/31/23/393453123.db2.gz FREQDSOODGCAOY-INIZCTEOSA-N 2 1 278.440 3.104 20 0 CGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420298870 393453444 /nfs/dbraw/zinc/45/34/44/393453444.db2.gz IDRDOPYBBNYGGZ-JYJNAYRXSA-N 2 1 252.446 3.277 20 0 CGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000420300142 393455160 /nfs/dbraw/zinc/45/51/60/393455160.db2.gz HIUHJBGQTWDWGC-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP Fc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420301727 393456287 /nfs/dbraw/zinc/45/62/87/393456287.db2.gz IXIKMPUPNVFCNQ-YOEHRIQHSA-N 2 1 276.399 3.352 20 0 CGADMP CCC[N@H+](CCc1cccc(F)c1)CC[C@@H]1CC[NH2+]C1 ZINC000420305307 393457454 /nfs/dbraw/zinc/45/74/54/393457454.db2.gz PIKHMDZHGHRDOD-INIZCTEOSA-N 2 1 278.415 3.080 20 0 CGADMP COc1ccc([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420303552 393457482 /nfs/dbraw/zinc/45/74/82/393457482.db2.gz KRGPOPMBVWHDCL-CABCVRRESA-N 2 1 276.424 3.078 20 0 CGADMP FC(F)(F)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000420312415 393461347 /nfs/dbraw/zinc/46/13/47/393461347.db2.gz WYBGYRQZEFOWJC-GFCCVEGCSA-N 2 1 278.362 3.041 20 0 CGADMP Clc1ccc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420314578 393461672 /nfs/dbraw/zinc/46/16/72/393461672.db2.gz ZBAWBJHKFDATHE-HIFRSBDPSA-N 2 1 278.827 3.129 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420316098 393463996 /nfs/dbraw/zinc/46/39/96/393463996.db2.gz MLHDQWBTJTWGKS-CRAIPNDOSA-N 2 1 288.435 3.222 20 0 CGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000420320546 393464951 /nfs/dbraw/zinc/46/49/51/393464951.db2.gz QOTKNSUMWOJMCG-LPHOPBHVSA-N 2 1 286.463 3.256 20 0 CGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000420320550 393465697 /nfs/dbraw/zinc/46/56/97/393465697.db2.gz QOTKNSUMWOJMCG-VQIMIIECSA-N 2 1 286.463 3.256 20 0 CGADMP FCCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321147 393465916 /nfs/dbraw/zinc/46/59/16/393465916.db2.gz ZPUMKLBDIAAJJA-CQSZACIVSA-N 2 1 282.428 3.052 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000356512024 393468661 /nfs/dbraw/zinc/46/86/61/393468661.db2.gz YHNGKDYVGLIHET-MRXNPFEDSA-N 2 1 277.456 3.033 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000356512024 393468669 /nfs/dbraw/zinc/46/86/69/393468669.db2.gz YHNGKDYVGLIHET-MRXNPFEDSA-N 2 1 277.456 3.033 20 0 CGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332700 393469281 /nfs/dbraw/zinc/46/92/81/393469281.db2.gz DQIWOWHMVSXFLM-OIISXLGYSA-N 2 1 258.409 3.069 20 0 CGADMP CC(C)(C)c1cccc(OCC[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000420357879 393472402 /nfs/dbraw/zinc/47/24/02/393472402.db2.gz IANARGGZHJJVBD-INIZCTEOSA-N 2 1 292.467 3.326 20 0 CGADMP Cc1cccc(C)c1OCCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420356307 393472636 /nfs/dbraw/zinc/47/26/36/393472636.db2.gz GASIPYGHGGFNMP-OAHLLOKOSA-N 2 1 278.440 3.035 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(C(F)F)c1 ZINC000420373481 393477780 /nfs/dbraw/zinc/47/77/80/393477780.db2.gz ZHXRQAHDVMRRFT-LBPRGKRZSA-N 2 1 256.340 3.087 20 0 CGADMP Cc1ccccc1CCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420375100 393478413 /nfs/dbraw/zinc/47/84/13/393478413.db2.gz SNSSDCLRVZMQME-SFHVURJKSA-N 2 1 274.452 3.425 20 0 CGADMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488290691 393479112 /nfs/dbraw/zinc/47/91/12/393479112.db2.gz HIUKTPNZOZNGQV-NJAFHUGGSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488290691 393479119 /nfs/dbraw/zinc/47/91/19/393479119.db2.gz HIUKTPNZOZNGQV-NJAFHUGGSA-N 2 1 272.436 3.096 20 0 CGADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488290691 393479123 /nfs/dbraw/zinc/47/91/23/393479123.db2.gz HIUKTPNZOZNGQV-NJAFHUGGSA-N 2 1 272.436 3.096 20 0 CGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000647248675 393411140 /nfs/dbraw/zinc/41/11/40/393411140.db2.gz QVGDXNZCQXMCLL-MOPGFXCFSA-N 2 1 280.415 3.122 20 0 CGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000488428900 393509662 /nfs/dbraw/zinc/50/96/62/393509662.db2.gz ZSKMEDNCVUNGCE-UKRRQHHQSA-N 2 1 282.497 3.123 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CCCC1 ZINC000488448779 393518344 /nfs/dbraw/zinc/51/83/44/393518344.db2.gz NWXCMABLXNNTKC-KGLIPLIRSA-N 2 1 284.513 3.371 20 0 CGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488450475 393520208 /nfs/dbraw/zinc/52/02/08/393520208.db2.gz QHXSBPLEEKCKCT-NVXWUHKLSA-N 2 1 272.436 3.205 20 0 CGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCC3CCCCC3)C2)C1 ZINC000430147126 393529800 /nfs/dbraw/zinc/52/98/00/393529800.db2.gz NKWDMQVKGWRETD-QGZVFWFLSA-N 2 1 264.457 3.375 20 0 CGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420990794 393566428 /nfs/dbraw/zinc/56/64/28/393566428.db2.gz GQUPFESCHLOUIY-LSDHHAIUSA-N 2 1 282.378 3.457 20 0 CGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420990794 393566430 /nfs/dbraw/zinc/56/64/30/393566430.db2.gz GQUPFESCHLOUIY-LSDHHAIUSA-N 2 1 282.378 3.457 20 0 CGADMP C[C@H]1C[C@H](C[N@@H+](C2CC2)C2CCCCC2)CC[NH2+]1 ZINC000666621447 542802528 /nfs/dbraw/zinc/80/25/28/542802528.db2.gz VSPBEVNUKOIBSI-UONOGXRCSA-N 2 1 250.430 3.172 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430543400 393572389 /nfs/dbraw/zinc/57/23/89/393572389.db2.gz RHYVCPRIOWFELP-SQWLQELKSA-N 2 1 299.418 3.462 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430543400 393572393 /nfs/dbraw/zinc/57/23/93/393572393.db2.gz RHYVCPRIOWFELP-SQWLQELKSA-N 2 1 299.418 3.462 20 0 CGADMP C[N@@H+](CCOc1cccc(C(C)(C)C)c1)C1CC[NH2+]CC1 ZINC000430625331 393582882 /nfs/dbraw/zinc/58/28/82/393582882.db2.gz JXFBCLWQPULMOH-UHFFFAOYSA-N 2 1 290.451 3.047 20 0 CGADMP CC(C)(C)OC1CC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000432424549 393612976 /nfs/dbraw/zinc/61/29/76/393612976.db2.gz JMXUGRVPROCOMY-YZUHTNEWSA-N 2 1 294.483 3.187 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000360949160 393621721 /nfs/dbraw/zinc/62/17/21/393621721.db2.gz ZHEDKORMSUMEJN-RHSMWYFYSA-N 2 1 290.426 3.177 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCF)CC[N@@H+]1Cc1ccccc1 ZINC000361000916 393635627 /nfs/dbraw/zinc/63/56/27/393635627.db2.gz CYTLCBSNMJYCRN-NVXWUHKLSA-N 2 1 278.415 3.379 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CCCCF)CC[N@H+]1Cc1ccccc1 ZINC000361000916 393635633 /nfs/dbraw/zinc/63/56/33/393635633.db2.gz CYTLCBSNMJYCRN-NVXWUHKLSA-N 2 1 278.415 3.379 20 0 CGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CCC2 ZINC000423137630 393652062 /nfs/dbraw/zinc/65/20/62/393652062.db2.gz WNNRAAVPWPFUFD-RRQGHBQHSA-N 2 1 258.409 3.103 20 0 CGADMP CC(C)C1([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423132007 393652131 /nfs/dbraw/zinc/65/21/31/393652131.db2.gz IPMRZEBMQOZMBX-JKSUJKDBSA-N 2 1 258.409 3.258 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(CSC)CC1 ZINC000423297839 393659917 /nfs/dbraw/zinc/65/99/17/393659917.db2.gz MBNMXGVTFGFMEI-RUXDESIVSA-N 2 1 258.475 3.015 20 0 CGADMP CC[N@H+](CCC1CC[NH+](Cc2cocn2)CC1)CC1CC1 ZINC000433014847 393669284 /nfs/dbraw/zinc/66/92/84/393669284.db2.gz HOQACKIDUPQUMI-UHFFFAOYSA-N 2 1 291.439 3.009 20 0 CGADMP CC[N@@H+](CCC1CC[NH+](Cc2cocn2)CC1)CC1CC1 ZINC000433014847 393669286 /nfs/dbraw/zinc/66/92/86/393669286.db2.gz HOQACKIDUPQUMI-UHFFFAOYSA-N 2 1 291.439 3.009 20 0 CGADMP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc[nH+]1 ZINC000425280857 393690777 /nfs/dbraw/zinc/69/07/77/393690777.db2.gz YJNFXOQOLRIDIB-PKOBYXMFSA-N 2 1 293.414 3.101 20 0 CGADMP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000361222520 393705070 /nfs/dbraw/zinc/70/50/70/393705070.db2.gz ZIMFPMXBAOSTLL-HZPDHXFCSA-N 2 1 296.499 3.434 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000445986699 393839739 /nfs/dbraw/zinc/83/97/39/393839739.db2.gz XBYWZHSMHLOIAJ-FGTMMUONSA-N 2 1 272.436 3.397 20 0 CGADMP CC(C)[NH+](CC[NH2+][C@@H](C1CC1)C1CCC1)C(C)C ZINC000453054566 394154268 /nfs/dbraw/zinc/15/42/68/394154268.db2.gz HPMBIYIPDLPYHP-MRXNPFEDSA-N 2 1 252.446 3.274 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000453069895 394160254 /nfs/dbraw/zinc/16/02/54/394160254.db2.gz KUUXPURSPCHOSC-OAHLLOKOSA-N 2 1 252.446 3.418 20 0 CGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)C1CCC1 ZINC000453102889 394171444 /nfs/dbraw/zinc/17/14/44/394171444.db2.gz VXKQERQOPQGNNM-ZBFHGGJFSA-N 2 1 252.446 3.277 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C(C)(C)C ZINC000453213297 394206985 /nfs/dbraw/zinc/20/69/85/394206985.db2.gz ORWLFAOCAZOHJT-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C(C)(C)C ZINC000453213297 394206986 /nfs/dbraw/zinc/20/69/86/394206986.db2.gz ORWLFAOCAZOHJT-HZPDHXFCSA-N 2 1 284.488 3.292 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC000453605020 394256357 /nfs/dbraw/zinc/25/63/57/394256357.db2.gz ZMXSBKVFUIMXNS-ZFWWWQNUSA-N 2 1 284.513 3.371 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000453402702 394234500 /nfs/dbraw/zinc/23/45/00/394234500.db2.gz AKUSXNGGAAOSQA-BQJWPVKWSA-N 2 1 264.457 3.274 20 0 CGADMP CCC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccn1 ZINC000453408756 394237265 /nfs/dbraw/zinc/23/72/65/394237265.db2.gz SZFPLEBWQPLRNO-INIZCTEOSA-N 2 1 275.440 3.387 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C1CC1 ZINC000453415049 394239897 /nfs/dbraw/zinc/23/98/97/394239897.db2.gz WZTMKTOGXCSYOH-AWEZNQCLSA-N 2 1 297.446 3.099 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@H](c1cncc(F)c1)C1CC1)C1CC1 ZINC000453418598 394240821 /nfs/dbraw/zinc/24/08/21/394240821.db2.gz YJVDKMZVZSYGHK-KRWDZBQOSA-N 2 1 291.414 3.136 20 0 CGADMP c1nc2n(c1CN1CCS[C@@H](c3ccccc3)C1)CCC2 ZINC000667643109 542902841 /nfs/dbraw/zinc/90/28/41/542902841.db2.gz UWKCVPQGUGJOEB-MRXNPFEDSA-N 2 1 299.443 3.119 20 0 CGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(COC)cs2)[C@H](C)C1 ZINC000667666788 542911889 /nfs/dbraw/zinc/91/18/89/542911889.db2.gz YBWDZNKRFBGPLQ-CJNGLKHVSA-N 2 1 296.480 3.057 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(COC)cs2)[C@H](C)C1 ZINC000667666788 542911893 /nfs/dbraw/zinc/91/18/93/542911893.db2.gz YBWDZNKRFBGPLQ-CJNGLKHVSA-N 2 1 296.480 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(COC)cs2)[C@H](C)C1 ZINC000667666788 542911896 /nfs/dbraw/zinc/91/18/96/542911896.db2.gz YBWDZNKRFBGPLQ-CJNGLKHVSA-N 2 1 296.480 3.057 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(COC)cs2)[C@H](C)C1 ZINC000667666788 542911898 /nfs/dbraw/zinc/91/18/98/542911898.db2.gz YBWDZNKRFBGPLQ-CJNGLKHVSA-N 2 1 296.480 3.057 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc3ccncc3s2)C1 ZINC000667681731 542915750 /nfs/dbraw/zinc/91/57/50/542915750.db2.gz PTCWFYQOVYMHIO-ZDUSSCGKSA-N 2 1 289.448 3.070 20 0 CGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667681731 542915754 /nfs/dbraw/zinc/91/57/54/542915754.db2.gz PTCWFYQOVYMHIO-ZDUSSCGKSA-N 2 1 289.448 3.070 20 0 CGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccncc3s2)C1 ZINC000667681731 542915758 /nfs/dbraw/zinc/91/57/58/542915758.db2.gz PTCWFYQOVYMHIO-ZDUSSCGKSA-N 2 1 289.448 3.070 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667681731 542915762 /nfs/dbraw/zinc/91/57/62/542915762.db2.gz PTCWFYQOVYMHIO-ZDUSSCGKSA-N 2 1 289.448 3.070 20 0 CGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667681731 542915764 /nfs/dbraw/zinc/91/57/64/542915764.db2.gz PTCWFYQOVYMHIO-ZDUSSCGKSA-N 2 1 289.448 3.070 20 0 CGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000667835436 542935427 /nfs/dbraw/zinc/93/54/27/542935427.db2.gz QCHOKQUGFFAVQR-ZGXWSNOMSA-N 2 1 298.474 3.329 20 0 CGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667912174 542944431 /nfs/dbraw/zinc/94/44/31/542944431.db2.gz ACEZGDDTHNRLMI-VVLHAWIVSA-N 2 1 264.457 3.133 20 0 CGADMP Cc1cccc2[nH]c(C[N@H+](C)CCC[NH+]3CCCC3)cc21 ZINC000668100320 542970951 /nfs/dbraw/zinc/97/09/51/542970951.db2.gz IUDCFHPYWWTOAZ-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP Cc1cccc2[nH]c(C[N@@H+](C)CCC[NH+]3CCCC3)cc21 ZINC000668100320 542970952 /nfs/dbraw/zinc/97/09/52/542970952.db2.gz IUDCFHPYWWTOAZ-UHFFFAOYSA-N 2 1 285.435 3.394 20 0 CGADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2ccncc2s1 ZINC000668166096 542978794 /nfs/dbraw/zinc/97/87/94/542978794.db2.gz PMMVOVHLOCSEEK-UHFFFAOYSA-N 2 1 277.437 3.070 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccncc2s1 ZINC000668166096 542978798 /nfs/dbraw/zinc/97/87/98/542978798.db2.gz PMMVOVHLOCSEEK-UHFFFAOYSA-N 2 1 277.437 3.070 20 0 CGADMP Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668106925 542971712 /nfs/dbraw/zinc/97/17/12/542971712.db2.gz PTDBBHCNIYVIFW-SFHVURJKSA-N 2 1 299.393 3.208 20 0 CGADMP Cc1ncc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1C ZINC000668143131 542975472 /nfs/dbraw/zinc/97/54/72/542975472.db2.gz NDEPTWBIRDHOHJ-IPMKNSEASA-N 2 1 295.430 3.497 20 0 CGADMP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)C ZINC000668183409 542984371 /nfs/dbraw/zinc/98/43/71/542984371.db2.gz CZQVUSSGZOKWIL-UHFFFAOYSA-N 2 1 272.396 3.135 20 0 CGADMP CC(C)[C@@H]1C[N@@H+](Cc2ccnn2-c2ccncc2)[C@H]1C(C)C ZINC000668220069 542991463 /nfs/dbraw/zinc/99/14/63/542991463.db2.gz BVUQLIUKANWYRS-ROUUACIJSA-N 2 1 298.434 3.380 20 0 CGADMP CC(C)[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C(C)C ZINC000668220069 542991467 /nfs/dbraw/zinc/99/14/67/542991467.db2.gz BVUQLIUKANWYRS-ROUUACIJSA-N 2 1 298.434 3.380 20 0 CGADMP COC(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336845178 292054934 /nfs/dbraw/zinc/05/49/34/292054934.db2.gz VOULHKSTSXTOLP-QGZVFWFLSA-N 2 1 296.499 3.245 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000551030562 289095781 /nfs/dbraw/zinc/09/57/81/289095781.db2.gz VIRDWJUNQQTYGD-CVEARBPZSA-N 2 1 264.457 3.421 20 0 CGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153792 543142192 /nfs/dbraw/zinc/14/21/92/543142192.db2.gz NAWFAFSBTXZPBM-NJAFHUGGSA-N 2 1 274.452 3.499 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(C)(C)C ZINC000670264876 543147283 /nfs/dbraw/zinc/14/72/83/543147283.db2.gz MDYHRUCAAFJJRN-HUUCEWRRSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000671740812 543184194 /nfs/dbraw/zinc/18/41/94/543184194.db2.gz JVMVXHACGKWWSH-FGTMMUONSA-N 2 1 286.463 3.427 20 0 CGADMP CC(C)[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000395888016 397697004 /nfs/dbraw/zinc/69/70/04/397697004.db2.gz LBBWMHHAKDPUIA-INIZCTEOSA-N 2 1 252.446 3.277 20 0 CGADMP c1c2c(oc1-c1ccccc1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000650499771 397859087 /nfs/dbraw/zinc/85/90/87/397859087.db2.gz BLQRGGCAJZGIOF-UHFFFAOYSA-N 2 1 296.414 3.304 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc2cccnc12 ZINC000650711118 397899146 /nfs/dbraw/zinc/89/91/46/397899146.db2.gz JFIOAQBRTHPYIJ-KDOFPFPSSA-N 2 1 297.446 3.493 20 0 CGADMP Clc1ccccc1C1([NH2+][C@@H]2CCC[NH2+]CC2)CCC1 ZINC000650740196 397904106 /nfs/dbraw/zinc/90/41/06/397904106.db2.gz IOOZHUNMRMWNED-CYBMUJFWSA-N 2 1 278.827 3.451 20 0 CGADMP CC[N@@H+](CCCN[C@@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000650742431 397904914 /nfs/dbraw/zinc/90/49/14/397904914.db2.gz XWYKKIOUSVSKRW-QZTJIDSGSA-N 2 1 295.515 3.281 20 0 CGADMP C1=CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000676351080 543393901 /nfs/dbraw/zinc/39/39/01/543393901.db2.gz UPWMIBVJPIOFNV-YQQQUEKLSA-N 2 1 282.431 3.490 20 0 CGADMP CC1(C)CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000676901208 543423361 /nfs/dbraw/zinc/42/33/61/543423361.db2.gz UERQBKMQAPJJGC-HRCADAONSA-N 2 1 264.457 3.419 20 0 CGADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1C2CC3CC(C2)CC1C3 ZINC000677237959 543440584 /nfs/dbraw/zinc/44/05/84/543440584.db2.gz RYIRXXFVSYPSMZ-XCWFVBJVSA-N 2 1 288.479 3.275 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677240762 543441353 /nfs/dbraw/zinc/44/13/53/543441353.db2.gz KBQKCMJGLKHJCL-UHOSZYNNSA-N 2 1 286.463 3.451 20 0 CGADMP Cc1ccc(CC[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000677475175 543450238 /nfs/dbraw/zinc/45/02/38/543450238.db2.gz YYZLLPLEYITKCO-LJQANCHMSA-N 2 1 286.463 3.201 20 0 CGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000677475034 543450364 /nfs/dbraw/zinc/45/03/64/543450364.db2.gz KWKRYEGRGNLLAF-QGZVFWFLSA-N 2 1 264.457 3.230 20 0 CGADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000678590828 543539170 /nfs/dbraw/zinc/53/91/70/543539170.db2.gz KMXWTYZGJTVTPP-KFKAGJAMSA-N 2 1 284.447 3.008 20 0 CGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCOC2)CC1)CC(C)C ZINC000678636141 543548334 /nfs/dbraw/zinc/54/83/34/543548334.db2.gz ZPKRFPRKXNEQGC-SFHVURJKSA-N 2 1 296.499 3.245 20 0 CGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC(C)(C)c1ccccc1 ZINC000678815561 543561751 /nfs/dbraw/zinc/56/17/51/543561751.db2.gz HKKCZENTRKRWEZ-INIZCTEOSA-N 2 1 274.452 3.238 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C12CCCC2 ZINC000353580839 286287990 /nfs/dbraw/zinc/28/79/90/286287990.db2.gz XZMOOAGGWHQPOR-ARFHVFGLSA-N 2 1 282.472 3.043 20 0 CGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000353580839 286287993 /nfs/dbraw/zinc/28/79/93/286287993.db2.gz XZMOOAGGWHQPOR-ARFHVFGLSA-N 2 1 282.472 3.043 20 0 CGADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415119691 286294425 /nfs/dbraw/zinc/29/44/25/286294425.db2.gz ZNXGCJXTKVHZPM-RRFJBIMHSA-N 2 1 276.424 3.185 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC[N@H+]1C ZINC000679017735 543582956 /nfs/dbraw/zinc/58/29/56/543582956.db2.gz YPLSEVQAADYDIO-CZUORRHYSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)CC[N@@H+]1C ZINC000679017735 543582953 /nfs/dbraw/zinc/58/29/53/543582953.db2.gz YPLSEVQAADYDIO-CZUORRHYSA-N 2 1 276.399 3.277 20 0 CGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000356704229 287022513 /nfs/dbraw/zinc/02/25/13/287022513.db2.gz VNBFKLIDMFCASU-HZPDHXFCSA-N 2 1 275.440 3.387 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(F)cc(F)c1 ZINC000423532938 287053509 /nfs/dbraw/zinc/05/35/09/287053509.db2.gz SDUMGESHZOZTDL-BMIGLBTASA-N 2 1 268.351 3.133 20 0 CGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469465 287056853 /nfs/dbraw/zinc/05/68/53/287056853.db2.gz CYFGIZQIYNEKKH-JKSUJKDBSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469465 287056855 /nfs/dbraw/zinc/05/68/55/287056855.db2.gz CYFGIZQIYNEKKH-JKSUJKDBSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469465 287056857 /nfs/dbraw/zinc/05/68/57/287056857.db2.gz CYFGIZQIYNEKKH-JKSUJKDBSA-N 2 1 290.451 3.420 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000079469465 287056860 /nfs/dbraw/zinc/05/68/60/287056860.db2.gz CYFGIZQIYNEKKH-JKSUJKDBSA-N 2 1 290.451 3.420 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccccc2)[C@H](C)C1 ZINC000081096630 287070927 /nfs/dbraw/zinc/07/09/27/287070927.db2.gz XLHUXSVSEVGGCX-SJLPKXTDSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccccc2)[C@H](C)C1 ZINC000081096630 287070928 /nfs/dbraw/zinc/07/09/28/287070928.db2.gz XLHUXSVSEVGGCX-SJLPKXTDSA-N 2 1 290.451 3.118 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2ccccc2)[C@H](C)C1 ZINC000081096630 287070930 /nfs/dbraw/zinc/07/09/30/287070930.db2.gz XLHUXSVSEVGGCX-SJLPKXTDSA-N 2 1 290.451 3.118 20 0 CGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425703 287089636 /nfs/dbraw/zinc/08/96/36/287089636.db2.gz ARMMIZLYUJKYSV-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425703 287089639 /nfs/dbraw/zinc/08/96/39/287089639.db2.gz ARMMIZLYUJKYSV-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425703 287089641 /nfs/dbraw/zinc/08/96/41/287089641.db2.gz ARMMIZLYUJKYSV-IAGOWNOFSA-N 2 1 276.399 3.447 20 0 CGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000090585789 287102684 /nfs/dbraw/zinc/10/26/84/287102684.db2.gz DLVIPVJULYSJBT-HZPDHXFCSA-N 2 1 296.499 3.290 20 0 CGADMP [NH3+]C[C@@H]1CCC[C@@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000089106124 165199031 /nfs/dbraw/zinc/19/90/31/165199031.db2.gz JOHJGUMAMNWNGH-GWCFXTLKSA-N 2 1 275.783 3.428 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000090076655 165223430 /nfs/dbraw/zinc/22/34/30/165223430.db2.gz RBLCVDIAQPJGGF-CKEIUWERSA-N 2 1 286.419 3.294 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C)s2)CC1 ZINC000092165457 165282032 /nfs/dbraw/zinc/28/20/32/165282032.db2.gz IKWZYDNUJJUHTJ-UHFFFAOYSA-N 2 1 266.454 3.363 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)s2)CC1 ZINC000092165457 165282033 /nfs/dbraw/zinc/28/20/33/165282033.db2.gz IKWZYDNUJJUHTJ-UHFFFAOYSA-N 2 1 266.454 3.363 20 0 CGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC(C)(C)C[NH3+] ZINC000093873036 165340842 /nfs/dbraw/zinc/34/08/42/165340842.db2.gz HDIJRVMRQAJNFK-UHFFFAOYSA-N 2 1 274.330 3.122 20 0 CGADMP c1cc(C2CC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000094518972 165352167 /nfs/dbraw/zinc/35/21/67/165352167.db2.gz HZGQOQPGZVIWMZ-UHFFFAOYSA-N 2 1 270.420 3.280 20 0 CGADMP C[C@H]1CC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000118968956 287162698 /nfs/dbraw/zinc/16/26/98/287162698.db2.gz KXDAKPSCZJKUFW-DLBZAZTESA-N 2 1 264.457 3.375 20 0 CGADMP CC(C)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124014754 287228523 /nfs/dbraw/zinc/22/85/23/287228523.db2.gz MMLAODIAKMWQFX-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124014754 287228525 /nfs/dbraw/zinc/22/85/25/287228525.db2.gz MMLAODIAKMWQFX-CVEARBPZSA-N 2 1 252.446 3.229 20 0 CGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000020189322 171054411 /nfs/dbraw/zinc/05/44/11/171054411.db2.gz GEVZYIJROLAAGE-CYBMUJFWSA-N 2 1 264.388 3.349 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000020438242 171203394 /nfs/dbraw/zinc/20/33/94/171203394.db2.gz WXZQEXBVRCNEAV-ZDUSSCGKSA-N 2 1 252.402 3.279 20 0 CGADMP CSCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000285509251 196307565 /nfs/dbraw/zinc/30/75/65/196307565.db2.gz AZSXYYCCXBUMLJ-CJNGLKHVSA-N 2 1 278.465 3.122 20 0 CGADMP C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000285627225 196348577 /nfs/dbraw/zinc/34/85/77/196348577.db2.gz WVVIMTBWFXUJPI-QTXGHNMQSA-N 2 1 272.436 3.347 20 0 CGADMP C[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000285627225 196348579 /nfs/dbraw/zinc/34/85/79/196348579.db2.gz WVVIMTBWFXUJPI-QTXGHNMQSA-N 2 1 272.436 3.347 20 0 CGADMP C[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000285627225 196348581 /nfs/dbraw/zinc/34/85/81/196348581.db2.gz WVVIMTBWFXUJPI-QTXGHNMQSA-N 2 1 272.436 3.347 20 0 CGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000037149959 172985938 /nfs/dbraw/zinc/98/59/38/172985938.db2.gz ZCBZNGBYVMCANC-UHFFFAOYSA-N 2 1 282.378 3.319 20 0 CGADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1F ZINC000037495816 173234986 /nfs/dbraw/zinc/23/49/86/173234986.db2.gz KXHLBBHCLPZPTO-UHFFFAOYSA-N 2 1 294.414 3.233 20 0 CGADMP COc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1F ZINC000037496260 173235593 /nfs/dbraw/zinc/23/55/93/173235593.db2.gz PJNXNAUUAGMZKQ-UHFFFAOYSA-N 2 1 294.414 3.046 20 0 CGADMP CCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515584 173247016 /nfs/dbraw/zinc/24/70/16/173247016.db2.gz HOPWPEKCWQKSEM-UHFFFAOYSA-N 2 1 274.452 3.473 20 0 CGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000037515637 173247563 /nfs/dbraw/zinc/24/75/63/173247563.db2.gz CVJGXNVUGGTELL-OAHLLOKOSA-N 2 1 272.436 3.082 20 0 CGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000127369227 287286393 /nfs/dbraw/zinc/28/63/93/287286393.db2.gz YGSFMRAOVGEHLJ-MRXNPFEDSA-N 2 1 285.435 3.453 20 0 CGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000127369227 287286394 /nfs/dbraw/zinc/28/63/94/287286394.db2.gz YGSFMRAOVGEHLJ-MRXNPFEDSA-N 2 1 285.435 3.453 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388251 175033166 /nfs/dbraw/zinc/03/31/66/175033166.db2.gz FLXZQYYHVLOHRI-UHFFFAOYSA-N 2 1 272.795 3.157 20 0 CGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000128044747 287301855 /nfs/dbraw/zinc/30/18/55/287301855.db2.gz CZKHMNNQUGZHSU-QBPKDAKJSA-N 2 1 264.457 3.419 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070169557 175876969 /nfs/dbraw/zinc/87/69/69/175876969.db2.gz IURRWDXEDMJFLM-HNNXBMFYSA-N 2 1 276.424 3.036 20 0 CGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cncs1 ZINC000128552089 287313361 /nfs/dbraw/zinc/31/33/61/287313361.db2.gz RRQKDHCCTXBCAP-OLZOCXBDSA-N 2 1 267.442 3.058 20 0 CGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cncs1 ZINC000128552089 287313365 /nfs/dbraw/zinc/31/33/65/287313365.db2.gz RRQKDHCCTXBCAP-OLZOCXBDSA-N 2 1 267.442 3.058 20 0 CGADMP C[N@H+](CC[NH2+][C@H]1CCc2ccccc2C1)C1CCCC1 ZINC000071376988 176142009 /nfs/dbraw/zinc/14/20/09/176142009.db2.gz OLYBSVJTWMBPAY-KRWDZBQOSA-N 2 1 272.436 3.008 20 0 CGADMP C[N@@H+](CC[NH2+][C@H]1CCc2ccccc2C1)C1CCCC1 ZINC000071376988 176142010 /nfs/dbraw/zinc/14/20/10/176142010.db2.gz OLYBSVJTWMBPAY-KRWDZBQOSA-N 2 1 272.436 3.008 20 0 CGADMP C[C@@H](CC1CC1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000128762932 287317869 /nfs/dbraw/zinc/31/78/69/287317869.db2.gz LBWDXGLWXVCKLT-AWEZNQCLSA-N 2 1 252.446 3.419 20 0 CGADMP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000219380155 416521231 /nfs/dbraw/zinc/52/12/31/416521231.db2.gz ZFBZKWGRPIOCIO-YOEHRIQHSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000219380155 416521236 /nfs/dbraw/zinc/52/12/36/416521236.db2.gz ZFBZKWGRPIOCIO-YOEHRIQHSA-N 2 1 276.399 3.098 20 0 CGADMP c1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)ccnc2c1 ZINC000316274325 416539079 /nfs/dbraw/zinc/53/90/79/416539079.db2.gz JCCPNZCDRXOQRH-SJLPKXTDSA-N 2 1 295.430 3.199 20 0 CGADMP C[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000404341830 416551216 /nfs/dbraw/zinc/55/12/16/416551216.db2.gz FIVLCEXHXOTYOM-INMHGKMJSA-N 2 1 260.425 3.239 20 0 CGADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000405492613 416559204 /nfs/dbraw/zinc/55/92/04/416559204.db2.gz ADJXVUHYRJYMCE-GDIGMMSISA-N 2 1 298.430 3.196 20 0 CGADMP CC[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC[C@@H]1[NH3+] ZINC000122378582 416503299 /nfs/dbraw/zinc/50/32/99/416503299.db2.gz CVTHUKVAXURZNT-YOEHRIQHSA-N 2 1 258.409 3.123 20 0 CGADMP CC[C@H]1C[N@@H+](CCCOc2ccc(C)c(C)c2)CC[C@@H]1[NH3+] ZINC000122908037 416505529 /nfs/dbraw/zinc/50/55/29/416505529.db2.gz VZGGZQGDTDQBRT-WMZOPIPTSA-N 2 1 290.451 3.132 20 0 CGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127915931 416511721 /nfs/dbraw/zinc/51/17/21/416511721.db2.gz IEZMBBYJSLXUJN-SYQHCUMBSA-N 2 1 290.373 3.324 20 0 CGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000680352965 543702930 /nfs/dbraw/zinc/70/29/30/543702930.db2.gz WJYSBHCOFKTXJH-QXAKKESOSA-N 2 1 284.447 3.429 20 0 CGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC000682076088 543822376 /nfs/dbraw/zinc/82/23/76/543822376.db2.gz STMIXJPGFLKIRZ-QFBILLFUSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682076088 543822380 /nfs/dbraw/zinc/82/23/80/543822380.db2.gz STMIXJPGFLKIRZ-QFBILLFUSA-N 2 1 284.447 3.338 20 0 CGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682076088 543822384 /nfs/dbraw/zinc/82/23/84/543822384.db2.gz STMIXJPGFLKIRZ-QFBILLFUSA-N 2 1 284.447 3.338 20 0 CGADMP COc1cc(C)c([C@H](C)[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000681668383 543800736 /nfs/dbraw/zinc/80/07/36/543800736.db2.gz BKPXCMSMBBFKPL-HNNXBMFYSA-N 2 1 290.451 3.399 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683831385 543946222 /nfs/dbraw/zinc/94/62/22/543946222.db2.gz VFKGADDKHCOYMI-HNAYVOBHSA-N 2 1 297.446 3.397 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000684021043 543961058 /nfs/dbraw/zinc/96/10/58/543961058.db2.gz KNSXYYAWEQOFQD-MRXNPFEDSA-N 2 1 297.446 3.476 20 0 CGADMP c1c2ccccc2[nH]c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000684021043 543961060 /nfs/dbraw/zinc/96/10/60/543961060.db2.gz KNSXYYAWEQOFQD-MRXNPFEDSA-N 2 1 297.446 3.476 20 0 CGADMP c1c2ccccc2[nH]c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000684021045 543961254 /nfs/dbraw/zinc/96/12/54/543961254.db2.gz KQOZATKLYSSWSN-HNNXBMFYSA-N 2 1 283.419 3.086 20 0 CGADMP c1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000684021045 543961256 /nfs/dbraw/zinc/96/12/56/543961256.db2.gz KQOZATKLYSSWSN-HNNXBMFYSA-N 2 1 283.419 3.086 20 0 CGADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684768074 544028083 /nfs/dbraw/zinc/02/80/83/544028083.db2.gz GLEBKXRBSCFVHO-CGTJXYLNSA-N 2 1 294.483 3.331 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]CC(C)(C)c1ccccc1 ZINC000684410747 543995724 /nfs/dbraw/zinc/99/57/24/543995724.db2.gz IKKFVCBKLYMWNX-OAHLLOKOSA-N 2 1 262.441 3.284 20 0 CGADMP C[N@@H+](Cc1ccc2cnccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443128 544071492 /nfs/dbraw/zinc/07/14/92/544071492.db2.gz HTXHSMWZIZWPLX-DFNIBXOVSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1ccc2cnccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443128 544071495 /nfs/dbraw/zinc/07/14/95/544071495.db2.gz HTXHSMWZIZWPLX-DFNIBXOVSA-N 2 1 295.430 3.292 20 0 CGADMP C[NH+](Cc1ccc2cnccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443128 544071497 /nfs/dbraw/zinc/07/14/97/544071497.db2.gz HTXHSMWZIZWPLX-DFNIBXOVSA-N 2 1 295.430 3.292 20 0 CGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3cnccc3c2)C1 ZINC000685470835 544078998 /nfs/dbraw/zinc/07/89/98/544078998.db2.gz VBDQRDPAEMSPLC-MOPGFXCFSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470835 544079000 /nfs/dbraw/zinc/07/90/00/544079000.db2.gz VBDQRDPAEMSPLC-MOPGFXCFSA-N 2 1 295.430 3.151 20 0 CGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470835 544079002 /nfs/dbraw/zinc/07/90/02/544079002.db2.gz VBDQRDPAEMSPLC-MOPGFXCFSA-N 2 1 295.430 3.151 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2cnccc21 ZINC000684966582 544047824 /nfs/dbraw/zinc/04/78/24/544047824.db2.gz HZLWRTFZNPIJQU-UHFFFAOYSA-N 2 1 283.419 3.153 20 0 CGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000652222496 418937143 /nfs/dbraw/zinc/93/71/43/418937143.db2.gz PXHMOMKKNSCQSX-CQSZACIVSA-N 2 1 264.413 3.021 20 0 CGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000652222496 418937144 /nfs/dbraw/zinc/93/71/44/418937144.db2.gz PXHMOMKKNSCQSX-CQSZACIVSA-N 2 1 264.413 3.021 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)c1cccnc1 ZINC000652222205 418937502 /nfs/dbraw/zinc/93/75/02/418937502.db2.gz HTTBIQJAFIZBHN-KRWDZBQOSA-N 2 1 277.456 3.490 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1cccnc1 ZINC000652222205 418937505 /nfs/dbraw/zinc/93/75/05/418937505.db2.gz HTTBIQJAFIZBHN-KRWDZBQOSA-N 2 1 277.456 3.490 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccccn1 ZINC000652222284 418937609 /nfs/dbraw/zinc/93/76/09/418937609.db2.gz JOCBJFUBHBXRRE-INIZCTEOSA-N 2 1 277.456 3.490 20 0 CGADMP CCC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccccn1 ZINC000652222284 418937611 /nfs/dbraw/zinc/93/76/11/418937611.db2.gz JOCBJFUBHBXRRE-INIZCTEOSA-N 2 1 277.456 3.490 20 0 CGADMP CC[NH+]1CCC([N@H+](C)CCCc2c(F)cccc2F)CC1 ZINC000653564260 419049807 /nfs/dbraw/zinc/04/98/07/419049807.db2.gz XPEZRKHAYYNVCH-UHFFFAOYSA-N 2 1 296.405 3.314 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)CCCc2c(F)cccc2F)CC1 ZINC000653564260 419049812 /nfs/dbraw/zinc/04/98/12/419049812.db2.gz XPEZRKHAYYNVCH-UHFFFAOYSA-N 2 1 296.405 3.314 20 0 CGADMP Cn1cncc1CCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000653538250 419044593 /nfs/dbraw/zinc/04/45/93/419044593.db2.gz WZKVQPASNDLAID-GOSISDBHSA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000653538250 419044596 /nfs/dbraw/zinc/04/45/96/419044596.db2.gz WZKVQPASNDLAID-GOSISDBHSA-N 2 1 297.446 3.450 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000653538250 419044599 /nfs/dbraw/zinc/04/45/99/419044599.db2.gz WZKVQPASNDLAID-GOSISDBHSA-N 2 1 297.446 3.450 20 0 CGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665248030 419091227 /nfs/dbraw/zinc/09/12/27/419091227.db2.gz NSIUVFNZDKIKNG-OAHLLOKOSA-N 2 1 274.408 3.070 20 0 CGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665249434 419091771 /nfs/dbraw/zinc/09/17/71/419091771.db2.gz QGIFZMAGHRZJJB-AWEZNQCLSA-N 2 1 276.424 3.396 20 0 CGADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773146 419093570 /nfs/dbraw/zinc/09/35/70/419093570.db2.gz SIFSDCOLJFSDJZ-NUJGCVRESA-N 2 1 294.483 3.046 20 0 CGADMP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665258740 419095729 /nfs/dbraw/zinc/09/57/29/419095729.db2.gz KISNUFLBMYXFPP-JGGQBBKZSA-N 2 1 294.414 3.058 20 0 CGADMP CC1(C)CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000665280114 419101197 /nfs/dbraw/zinc/10/11/97/419101197.db2.gz UDNATJNQSJVNOG-CRPOECCBSA-N 2 1 270.420 3.141 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892951 419105789 /nfs/dbraw/zinc/10/57/89/419105789.db2.gz QHZQJIGFGGDJLL-MRXNPFEDSA-N 2 1 275.440 3.397 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892951 419105793 /nfs/dbraw/zinc/10/57/93/419105793.db2.gz QHZQJIGFGGDJLL-MRXNPFEDSA-N 2 1 275.440 3.397 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000659983632 419052116 /nfs/dbraw/zinc/05/21/16/419052116.db2.gz RMENURVUWNVEMJ-UPJWGTAASA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000659983632 419052118 /nfs/dbraw/zinc/05/21/18/419052118.db2.gz RMENURVUWNVEMJ-UPJWGTAASA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659983632 419052122 /nfs/dbraw/zinc/05/21/22/419052122.db2.gz RMENURVUWNVEMJ-UPJWGTAASA-N 2 1 262.388 3.082 20 0 CGADMP CC[C@H](CC(F)F)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000659983632 419052126 /nfs/dbraw/zinc/05/21/26/419052126.db2.gz RMENURVUWNVEMJ-UPJWGTAASA-N 2 1 262.388 3.082 20 0 CGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC000659981931 419052406 /nfs/dbraw/zinc/05/24/06/419052406.db2.gz AFYQBEHAYFENKX-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659981931 419052411 /nfs/dbraw/zinc/05/24/11/419052411.db2.gz AFYQBEHAYFENKX-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659981931 419052414 /nfs/dbraw/zinc/05/24/14/419052414.db2.gz AFYQBEHAYFENKX-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000653643392 419065353 /nfs/dbraw/zinc/06/53/53/419065353.db2.gz PSBSMXABTKSMCW-UHFFFAOYSA-N 2 1 295.789 3.277 20 0 CGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000653643392 419065359 /nfs/dbraw/zinc/06/53/59/419065359.db2.gz PSBSMXABTKSMCW-UHFFFAOYSA-N 2 1 295.789 3.277 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000660115935 419079155 /nfs/dbraw/zinc/07/91/55/419079155.db2.gz DKKACDCRRVSWNS-CYBMUJFWSA-N 2 1 273.371 3.195 20 0 CGADMP CC[C@H](CC(F)F)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000660115935 419079156 /nfs/dbraw/zinc/07/91/56/419079156.db2.gz DKKACDCRRVSWNS-CYBMUJFWSA-N 2 1 273.371 3.195 20 0 CGADMP CC(C)CC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655730188 419079810 /nfs/dbraw/zinc/07/98/10/419079810.db2.gz IBYAEOCZRXIKMU-KRWDZBQOSA-N 2 1 296.499 3.292 20 0 CGADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000660415642 419141223 /nfs/dbraw/zinc/14/12/23/419141223.db2.gz GUVNIZWTWBDOBS-CHWSQXEVSA-N 2 1 262.388 3.084 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCCC3(C)C)C2)C1 ZINC000660615251 419170249 /nfs/dbraw/zinc/17/02/49/419170249.db2.gz DKRPSVODWVPOHG-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCCCC3(C)C)C2)C1 ZINC000660615251 419170251 /nfs/dbraw/zinc/17/02/51/419170251.db2.gz DKRPSVODWVPOHG-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCCCC3(C)C)C2)C1 ZINC000660615251 419170252 /nfs/dbraw/zinc/17/02/52/419170252.db2.gz DKRPSVODWVPOHG-RDJZCZTQSA-N 2 1 264.457 3.230 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660626782 419171569 /nfs/dbraw/zinc/17/15/69/419171569.db2.gz MAKQYKHLTQROFW-QGZVFWFLSA-N 2 1 298.434 3.246 20 0 CGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660626782 419171573 /nfs/dbraw/zinc/17/15/73/419171573.db2.gz MAKQYKHLTQROFW-QGZVFWFLSA-N 2 1 298.434 3.246 20 0 CGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCCC(F)(F)F)C2 ZINC000660659036 419176503 /nfs/dbraw/zinc/17/65/03/419176503.db2.gz JOKXBRDTJZQLQJ-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCC(F)(F)F)C2 ZINC000660659036 419176506 /nfs/dbraw/zinc/17/65/06/419176506.db2.gz JOKXBRDTJZQLQJ-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCC(F)(F)F)C2 ZINC000660659036 419176510 /nfs/dbraw/zinc/17/65/10/419176510.db2.gz JOKXBRDTJZQLQJ-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCC(F)(F)F)C2 ZINC000660659036 419176514 /nfs/dbraw/zinc/17/65/14/419176514.db2.gz JOKXBRDTJZQLQJ-CYBMUJFWSA-N 2 1 278.362 3.137 20 0 CGADMP CC(C)(C)C1CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000656499680 419177512 /nfs/dbraw/zinc/17/75/12/419177512.db2.gz WHSJMKPLEBWIJV-BDVYOWHSSA-N 2 1 294.483 3.044 20 0 CGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCC1CCOCC1)C2 ZINC000660665922 419180205 /nfs/dbraw/zinc/18/02/05/419180205.db2.gz ZIOJUOZVAKSZGD-SFHVURJKSA-N 2 1 294.483 3.001 20 0 CGADMP C1=C(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)CCC1 ZINC000660680215 419182559 /nfs/dbraw/zinc/18/25/59/419182559.db2.gz RDIDKZKLCXSQQS-UHFFFAOYSA-N 2 1 270.420 3.351 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)[C@@H]1CC1(C)C ZINC000666086364 419188957 /nfs/dbraw/zinc/18/89/57/419188957.db2.gz FIWMARKGQFBRKP-ILXRZTDVSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C3CCC3)CC2)CC[N@@H+]1C ZINC000657375450 419263172 /nfs/dbraw/zinc/26/31/72/419263172.db2.gz GJNPCQZPKBTOTD-YJNKEBTESA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C3CCC3)CC2)CC[N@H+]1C ZINC000657375450 419263175 /nfs/dbraw/zinc/26/31/75/419263175.db2.gz GJNPCQZPKBTOTD-YJNKEBTESA-N 2 1 264.457 3.418 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccn1 ZINC000656782350 419218186 /nfs/dbraw/zinc/21/81/86/419218186.db2.gz FGZYJQNBUWDVCY-SZVBFZGTSA-N 2 1 295.430 3.268 20 0 CGADMP Cc1cc2cc(C[NH2+]CC3([NH3+])CCCC3)oc2cc1C ZINC000656788160 419219603 /nfs/dbraw/zinc/21/96/03/419219603.db2.gz FTOJAQXXSCKEFQ-UHFFFAOYSA-N 2 1 272.392 3.411 20 0 CGADMP C[NH+](C)CCC[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000657287236 419242822 /nfs/dbraw/zinc/24/28/22/419242822.db2.gz JHDXUUPSMIXHQS-UHFFFAOYSA-N 2 1 274.433 3.456 20 0 CGADMP COc1ccccc1/C=C/CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525326 419298133 /nfs/dbraw/zinc/29/81/33/419298133.db2.gz RUXWFUIOSJBJME-DYLHUKMJSA-N 2 1 288.435 3.171 20 0 CGADMP COc1ccccc1/C=C/CNC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525326 419298135 /nfs/dbraw/zinc/29/81/35/419298135.db2.gz RUXWFUIOSJBJME-DYLHUKMJSA-N 2 1 288.435 3.171 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)CC[N@@H+]1Cc1ccccc1 ZINC000657654752 419319592 /nfs/dbraw/zinc/31/95/92/419319592.db2.gz ZUEYKVRBQLZVOU-QFBILLFUSA-N 2 1 298.430 3.465 20 0 CGADMP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)CC[N@H+]1Cc1ccccc1 ZINC000657654752 419319594 /nfs/dbraw/zinc/31/95/94/419319594.db2.gz ZUEYKVRBQLZVOU-QFBILLFUSA-N 2 1 298.430 3.465 20 0 CGADMP CCOC1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000657848627 419387754 /nfs/dbraw/zinc/38/77/54/419387754.db2.gz SWXGXURZHGLJAO-NUWOQIAWSA-N 2 1 282.472 3.044 20 0 CGADMP CCOC1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000657848627 419387760 /nfs/dbraw/zinc/38/77/60/419387760.db2.gz SWXGXURZHGLJAO-NUWOQIAWSA-N 2 1 282.472 3.044 20 0 CGADMP CC[C@H](c1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320702 419390175 /nfs/dbraw/zinc/39/01/75/419390175.db2.gz DJVJMEPUGXIYGB-ZWKOTPCHSA-N 2 1 290.451 3.180 20 0 CGADMP C(C[N@H+]1CCC[C@H](C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000662322342 419390212 /nfs/dbraw/zinc/39/02/12/419390212.db2.gz LRBBMRORLCSHTQ-WBVHZDCISA-N 2 1 264.457 3.278 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657861872 419391435 /nfs/dbraw/zinc/39/14/35/419391435.db2.gz ADQIXPIZIZXGMQ-NSHDSACASA-N 2 1 286.404 3.152 20 0 CGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000657870781 419395794 /nfs/dbraw/zinc/39/57/94/419395794.db2.gz FXUBLEXWEVWMGV-STQMWFEESA-N 2 1 276.415 3.376 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000662237413 419370163 /nfs/dbraw/zinc/37/01/63/419370163.db2.gz JZOAHPLBQSRHBF-ZDUSSCGKSA-N 2 1 298.883 3.364 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000662237413 419370164 /nfs/dbraw/zinc/37/01/64/419370164.db2.gz JZOAHPLBQSRHBF-ZDUSSCGKSA-N 2 1 298.883 3.364 20 0 CGADMP CCOC1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000657821794 419372555 /nfs/dbraw/zinc/37/25/55/419372555.db2.gz SSOFKUZBQSEABS-UHFFFAOYSA-N 2 1 270.461 3.043 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc2cnccc2o1 ZINC000657823899 419373113 /nfs/dbraw/zinc/37/31/13/419373113.db2.gz LFTCBZRSCKLJLP-AWEZNQCLSA-N 2 1 287.407 3.354 20 0 CGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662246181 419373793 /nfs/dbraw/zinc/37/37/93/419373793.db2.gz PGPBJCTYDSGZOI-RRFJBIMHSA-N 2 1 252.446 3.262 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264372 419375843 /nfs/dbraw/zinc/37/58/43/419375843.db2.gz JGRFYSUQAQETKP-YFHUEUNASA-N 2 1 272.436 3.239 20 0 CGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCSc1cccc(Cl)c1 ZINC000662266369 419376754 /nfs/dbraw/zinc/37/67/54/419376754.db2.gz WUGFHYFHYCYQJY-VXGBXAGGSA-N 2 1 284.856 3.101 20 0 CGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCSCC1)C1CCCCC1 ZINC000657839552 419380962 /nfs/dbraw/zinc/38/09/62/419380962.db2.gz BSEFWNLDBLYMCA-JKSUJKDBSA-N 2 1 284.513 3.372 20 0 CGADMP Clc1cccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662272985 419382188 /nfs/dbraw/zinc/38/21/88/419382188.db2.gz JEFUOEXTVJVRAX-IUODEOHRSA-N 2 1 296.867 3.116 20 0 CGADMP Clc1cccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662272985 419382195 /nfs/dbraw/zinc/38/21/95/419382195.db2.gz JEFUOEXTVJVRAX-IUODEOHRSA-N 2 1 296.867 3.116 20 0 CGADMP CCOC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000657843104 419383674 /nfs/dbraw/zinc/38/36/74/419383674.db2.gz DYNKKTUKRXCAHB-GTPINHCMSA-N 2 1 296.499 3.434 20 0 CGADMP CCOC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000657843104 419383680 /nfs/dbraw/zinc/38/36/80/419383680.db2.gz DYNKKTUKRXCAHB-GTPINHCMSA-N 2 1 296.499 3.434 20 0 CGADMP CC[C@@H](CC(F)F)C[N@@H+]1CCc2ccccc2[C@@H]1CN ZINC000662285231 419384738 /nfs/dbraw/zinc/38/47/38/419384738.db2.gz HWRAPEYAIBWHHY-WFASDCNBSA-N 2 1 282.378 3.226 20 0 CGADMP Cc1sccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344218 419568369 /nfs/dbraw/zinc/56/83/69/419568369.db2.gz PHVYQNWKFCFLRM-HNNXBMFYSA-N 2 1 278.465 3.268 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)CC[N@H+]1C ZINC000663477995 419633319 /nfs/dbraw/zinc/63/33/19/419633319.db2.gz IZZWCHLGQMQVNV-QWRGUYRKSA-N 2 1 266.351 3.037 20 0 CGADMP Fc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346766 419570231 /nfs/dbraw/zinc/57/02/31/419570231.db2.gz NUHVPGFXQFDGIK-INIZCTEOSA-N 2 1 276.399 3.037 20 0 CGADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000663509925 419639414 /nfs/dbraw/zinc/63/94/14/419639414.db2.gz BKRMYZJHZGJPGO-NEPJUHHUSA-N 2 1 288.357 3.224 20 0 CGADMP C([NH2+][C@H]1CCC12CCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466364 419617659 /nfs/dbraw/zinc/61/76/59/419617659.db2.gz RSQJJBPFDLRUAH-SJORKVTESA-N 2 1 276.468 3.421 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1 ZINC000663468075 419619796 /nfs/dbraw/zinc/61/97/96/419619796.db2.gz KEXBSIIXZOJDPO-ZBFHGGJFSA-N 2 1 288.435 3.165 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1 ZINC000663468075 419619802 /nfs/dbraw/zinc/61/98/02/419619802.db2.gz KEXBSIIXZOJDPO-ZBFHGGJFSA-N 2 1 288.435 3.165 20 0 CGADMP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468867 419620050 /nfs/dbraw/zinc/62/00/50/419620050.db2.gz NBSWXPPKSVWXNQ-HOCLYGCPSA-N 2 1 252.446 3.277 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663471763 419625318 /nfs/dbraw/zinc/62/53/18/419625318.db2.gz XVQHAOKCUVVEHQ-DOMZBBRYSA-N 2 1 293.480 3.224 20 0 CGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663471763 419625323 /nfs/dbraw/zinc/62/53/23/419625323.db2.gz XVQHAOKCUVVEHQ-DOMZBBRYSA-N 2 1 293.480 3.224 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663470308 419625910 /nfs/dbraw/zinc/62/59/10/419625910.db2.gz UTHOIUYDMHFFAF-ZBFHGGJFSA-N 2 1 276.424 3.361 20 0 CGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663470308 419625919 /nfs/dbraw/zinc/62/59/19/419625919.db2.gz UTHOIUYDMHFFAF-ZBFHGGJFSA-N 2 1 276.424 3.361 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(c3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000663476212 419629030 /nfs/dbraw/zinc/62/90/30/419629030.db2.gz YXOXHYNUCGQHPR-AYBZRNKSSA-N 2 1 286.463 3.427 20 0 CGADMP C[C@H](Nc1[nH+]ccc2c(N)cccc21)C(C)(C)C[NH+](C)C ZINC000663659609 419666549 /nfs/dbraw/zinc/66/65/49/419666549.db2.gz BJPBFOACYYYIOB-LBPRGKRZSA-N 2 1 286.423 3.205 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000658265872 419719523 /nfs/dbraw/zinc/71/95/23/419719523.db2.gz VSTARZLPEYOQHT-NRSFXHEJSA-N 2 1 272.436 3.253 20 0 CGADMP C[C@@H](CCNc1[nH+]ccc2cc(F)ccc21)[NH+](C)C ZINC000664246675 419865567 /nfs/dbraw/zinc/86/55/67/419865567.db2.gz XCDCCPRLBSTUOY-NSHDSACASA-N 2 1 261.344 3.126 20 0 CGADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322950280 260030545 /nfs/dbraw/zinc/03/05/45/260030545.db2.gz SMWXGYQRHOXDQF-SWCHFVSRSA-N 2 1 250.430 3.026 20 0 CGADMP CC[C@@H](C)C[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322975641 260113005 /nfs/dbraw/zinc/11/30/05/260113005.db2.gz ZPTLNVYEQNHELJ-YZDRTPDPSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccsc2)CC[N@@H+]1C ZINC000360966292 261139234 /nfs/dbraw/zinc/13/92/34/261139234.db2.gz OGDKUSLKVLNXDF-HIFRSBDPSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccsc2)CC[N@H+]1C ZINC000360966292 261139237 /nfs/dbraw/zinc/13/92/37/261139237.db2.gz OGDKUSLKVLNXDF-HIFRSBDPSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccsc2)CC[NH+]1C ZINC000360966292 261139239 /nfs/dbraw/zinc/13/92/39/261139239.db2.gz OGDKUSLKVLNXDF-HIFRSBDPSA-N 2 1 266.454 3.095 20 0 CGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccsc2)CC[NH+]1C ZINC000360966292 261139240 /nfs/dbraw/zinc/13/92/40/261139240.db2.gz OGDKUSLKVLNXDF-HIFRSBDPSA-N 2 1 266.454 3.095 20 0 CGADMP CCCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040623559 270029756 /nfs/dbraw/zinc/02/97/56/270029756.db2.gz WOVJOMWSFNDQGU-QGZVFWFLSA-N 2 1 290.451 3.295 20 0 CGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535581 270035959 /nfs/dbraw/zinc/03/59/59/270035959.db2.gz DSHKQURYYKKANV-KBXCAEBGSA-N 2 1 288.435 3.004 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533787 270036194 /nfs/dbraw/zinc/03/61/94/270036194.db2.gz HGNABTTUYJSSMH-CABCVRRESA-N 2 1 272.436 3.168 20 0 CGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533858 270036477 /nfs/dbraw/zinc/03/64/77/270036477.db2.gz VCBDPTKIFXLABH-QWHCGFSZSA-N 2 1 298.377 3.280 20 0 CGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534859 270036583 /nfs/dbraw/zinc/03/65/83/270036583.db2.gz UCLRVEMIQPUHJP-HZPDHXFCSA-N 2 1 290.451 3.468 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCc3ccccc3C2)CCCC1 ZINC000105838567 270048006 /nfs/dbraw/zinc/04/80/06/270048006.db2.gz TTZMZPNQXLEEJY-KRWDZBQOSA-N 2 1 272.436 3.008 20 0 CGADMP CC(C)=CCC[C@H](C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000194717949 270082653 /nfs/dbraw/zinc/08/26/53/270082653.db2.gz WIARLQKUJMOWJF-HNNXBMFYSA-N 2 1 252.446 3.443 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC000227419094 270086916 /nfs/dbraw/zinc/08/69/16/270086916.db2.gz PWWKXQLCRGWCFG-JLZZUVOBSA-N 2 1 276.399 3.349 20 0 CGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC[N@H+]1C ZINC000227419094 270086917 /nfs/dbraw/zinc/08/69/17/270086917.db2.gz PWWKXQLCRGWCFG-JLZZUVOBSA-N 2 1 276.399 3.349 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000237549591 270090574 /nfs/dbraw/zinc/09/05/74/270090574.db2.gz XDXNDYVAABMGDB-YOEHRIQHSA-N 2 1 264.457 3.419 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000521944713 270103185 /nfs/dbraw/zinc/10/31/85/270103185.db2.gz MQVBFMVGPVLBHZ-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000521944713 270103186 /nfs/dbraw/zinc/10/31/86/270103186.db2.gz MQVBFMVGPVLBHZ-GJZGRUSLSA-N 2 1 280.431 3.467 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)[C@H]1c1cccs1 ZINC000525996479 270122236 /nfs/dbraw/zinc/12/22/36/270122236.db2.gz LXZBFTGHAPQDCS-OCCSQVGLSA-N 2 1 282.428 3.223 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)[C@H]1c1cccs1 ZINC000525996479 270122237 /nfs/dbraw/zinc/12/22/37/270122237.db2.gz LXZBFTGHAPQDCS-OCCSQVGLSA-N 2 1 282.428 3.223 20 0 CGADMP COC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000526107021 270123008 /nfs/dbraw/zinc/12/30/08/270123008.db2.gz GYOAQDYFXPVWPO-SFHVURJKSA-N 2 1 296.499 3.436 20 0 CGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000527524121 270128142 /nfs/dbraw/zinc/12/81/42/270128142.db2.gz NGCOWKNIKLPDMT-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000527524121 270128143 /nfs/dbraw/zinc/12/81/43/270128143.db2.gz NGCOWKNIKLPDMT-GOEBONIOSA-N 2 1 252.446 3.275 20 0 CGADMP C[N@@H+]1CC=C(c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000527587609 270129875 /nfs/dbraw/zinc/12/98/75/270129875.db2.gz MJCOVLRBZDZYGD-UHFFFAOYSA-N 2 1 256.393 3.001 20 0 CGADMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527637696 270130309 /nfs/dbraw/zinc/13/03/09/270130309.db2.gz KXAQZZFPYZAKOL-STQMWFEESA-N 2 1 274.399 3.274 20 0 CGADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C1CCC1)C1CCC1 ZINC000527734704 270133248 /nfs/dbraw/zinc/13/32/48/270133248.db2.gz MAJLPXFUSZANJF-SJORKVTESA-N 2 1 276.468 3.419 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527853955 270139819 /nfs/dbraw/zinc/13/98/19/270139819.db2.gz IEKOOZMNGBZXDY-HNNXBMFYSA-N 2 1 293.773 3.261 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC(C)(C)C2)C[C@@H]1C ZINC000528398634 270164075 /nfs/dbraw/zinc/16/40/75/270164075.db2.gz UTPWXXKGNZXNBC-DZGCQCFKSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C[C@@H]1C ZINC000528398634 270164076 /nfs/dbraw/zinc/16/40/76/270164076.db2.gz UTPWXXKGNZXNBC-DZGCQCFKSA-N 2 1 252.446 3.227 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C[C@@H]1C ZINC000528398634 270164077 /nfs/dbraw/zinc/16/40/77/270164077.db2.gz UTPWXXKGNZXNBC-DZGCQCFKSA-N 2 1 252.446 3.227 20 0 CGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCc1c[nH+]cn1C ZINC000530460190 270200154 /nfs/dbraw/zinc/20/01/54/270200154.db2.gz SQCFQFPMCALHRT-KRWDZBQOSA-N 2 1 283.419 3.247 20 0 CGADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000531931938 270210896 /nfs/dbraw/zinc/21/08/96/270210896.db2.gz VCTKYJUKRUSUAY-YJBOKZPZSA-N 2 1 274.452 3.425 20 0 CGADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCOCC1 ZINC000531947632 270211472 /nfs/dbraw/zinc/21/14/72/270211472.db2.gz WIAOMDWDMNYWLP-MRXNPFEDSA-N 2 1 282.472 3.046 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000533272907 270223203 /nfs/dbraw/zinc/22/32/03/270223203.db2.gz QTJMDIHRLWVWQS-OAHLLOKOSA-N 2 1 275.440 3.195 20 0 CGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423256163 273966244 /nfs/dbraw/zinc/96/62/44/273966244.db2.gz BJQQIAXTNCKANO-XHDPSFHLSA-N 2 1 296.842 3.307 20 0 CGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228744 274335592 /nfs/dbraw/zinc/33/55/92/274335592.db2.gz BYMUYTSMDIHTQV-NVGVWMPQSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228744 274335593 /nfs/dbraw/zinc/33/55/93/274335593.db2.gz BYMUYTSMDIHTQV-NVGVWMPQSA-N 2 1 294.389 3.272 20 0 CGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)Sc2sccc21)C[NH+](C)C ZINC000336787622 274491530 /nfs/dbraw/zinc/49/15/30/274491530.db2.gz FGIVAMDHSLZGTD-NQBHXWOUSA-N 2 1 284.494 3.461 20 0 CGADMP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000298304863 274743827 /nfs/dbraw/zinc/74/38/27/274743827.db2.gz HSWVLPRKNLPKDY-INIZCTEOSA-N 2 1 286.463 3.451 20 0 CGADMP c1cc2[nH+]ccc(N3CCC([C@H]4CCC[NH2+]4)CC3)c2s1 ZINC000420210796 275066048 /nfs/dbraw/zinc/06/60/48/275066048.db2.gz DLZFPLXFUGJZSW-CYBMUJFWSA-N 2 1 287.432 3.265 20 0 CGADMP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262526420 275069119 /nfs/dbraw/zinc/06/91/19/275069119.db2.gz OZGSESPXXRCWTR-FQEVSTJZSA-N 2 1 290.410 3.442 20 0 CGADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423290335 275552316 /nfs/dbraw/zinc/55/23/16/275552316.db2.gz ZSQAFVREFDOKFJ-NSHDSACASA-N 2 1 273.207 3.308 20 0 CGADMP CC(C)[C@@H](C[NH2+]C[C@H]1CC=CCC1)[NH+]1CCCC1 ZINC000021819471 275671012 /nfs/dbraw/zinc/67/10/12/275671012.db2.gz HBOMNUXKMFKDAM-JKSUJKDBSA-N 2 1 250.430 3.053 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC(C)CC2)C1 ZINC000093770766 276074920 /nfs/dbraw/zinc/07/49/20/276074920.db2.gz WZXRRQDXIYQNDP-UYSNPLJNSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000093770766 276074921 /nfs/dbraw/zinc/07/49/21/276074921.db2.gz WZXRRQDXIYQNDP-UYSNPLJNSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000093770766 276074922 /nfs/dbraw/zinc/07/49/22/276074922.db2.gz WZXRRQDXIYQNDP-UYSNPLJNSA-N 2 1 252.446 3.086 20 0 CGADMP CC[NH+](CC)CC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000336832824 276095686 /nfs/dbraw/zinc/09/56/86/276095686.db2.gz BIUYGRZARJDCKU-UHFFFAOYSA-N 2 1 292.471 3.018 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449108331 276165690 /nfs/dbraw/zinc/16/56/90/276165690.db2.gz ULMGNONPNXIIFR-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432799784 276179373 /nfs/dbraw/zinc/17/93/73/276179373.db2.gz ZOFNZRBDFFJXPY-GVDBMIGSSA-N 2 1 264.457 3.395 20 0 CGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@H+](C)C(C)C ZINC000479527481 276180299 /nfs/dbraw/zinc/18/02/99/276180299.db2.gz MRJINYVPPJGYRQ-JKSUJKDBSA-N 2 1 252.446 3.299 20 0 CGADMP CC1CCC(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000093645103 276188679 /nfs/dbraw/zinc/18/86/79/276188679.db2.gz VDPIBNKAVUYPOG-GYTBAZASSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000093645103 276188680 /nfs/dbraw/zinc/18/86/80/276188680.db2.gz VDPIBNKAVUYPOG-GYTBAZASSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000093645103 276188682 /nfs/dbraw/zinc/18/86/82/276188682.db2.gz VDPIBNKAVUYPOG-GYTBAZASSA-N 2 1 252.446 3.227 20 0 CGADMP CC1CCC(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000093645103 276188684 /nfs/dbraw/zinc/18/86/84/276188684.db2.gz VDPIBNKAVUYPOG-GYTBAZASSA-N 2 1 252.446 3.227 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)CC2CCOCC2)C[C@H]1C ZINC000349966231 276224994 /nfs/dbraw/zinc/22/49/94/276224994.db2.gz GCKNSCRXXITRTC-JZXOWHBKSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)CC2CCOCC2)C[C@H]1C ZINC000349966231 276224995 /nfs/dbraw/zinc/22/49/95/276224995.db2.gz GCKNSCRXXITRTC-JZXOWHBKSA-N 2 1 296.499 3.244 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)CC2CCOCC2)C[C@H]1C ZINC000349966231 276224996 /nfs/dbraw/zinc/22/49/96/276224996.db2.gz GCKNSCRXXITRTC-JZXOWHBKSA-N 2 1 296.499 3.244 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423142425 276251806 /nfs/dbraw/zinc/25/18/06/276251806.db2.gz VDLLQYXIYTYWHB-WNRNVDISSA-N 2 1 295.515 3.007 20 0 CGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2ccccc2C1 ZINC000094011796 276252246 /nfs/dbraw/zinc/25/22/46/276252246.db2.gz SVOVVTCRELEPNG-LJQANCHMSA-N 2 1 286.463 3.256 20 0 CGADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000184912994 276271810 /nfs/dbraw/zinc/27/18/10/276271810.db2.gz BHIDHSYSVBOREJ-QGZVFWFLSA-N 2 1 273.424 3.139 20 0 CGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000363846330 276287396 /nfs/dbraw/zinc/28/73/96/276287396.db2.gz CERYIANYPPBAKO-ZACQAIPSSA-N 2 1 273.424 3.139 20 0 CGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000353940899 276331104 /nfs/dbraw/zinc/33/11/04/276331104.db2.gz CWKOKDLADSVPEJ-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483253515 276368661 /nfs/dbraw/zinc/36/86/61/276368661.db2.gz LGQVWJOLCLFYBQ-INIZCTEOSA-N 2 1 252.446 3.278 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)[C@@H](C)C1 ZINC000442785283 276395847 /nfs/dbraw/zinc/39/58/47/276395847.db2.gz RMRRJGYVUWUITA-GFJIZPEISA-N 2 1 274.399 3.130 20 0 CGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000268844877 287890438 /nfs/dbraw/zinc/89/04/38/287890438.db2.gz ITKPSBDTWOMBOY-HNNXBMFYSA-N 2 1 271.408 3.111 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000430696697 276555652 /nfs/dbraw/zinc/55/56/52/276555652.db2.gz QZWZSAYPHCRAOZ-CKEIUWERSA-N 2 1 264.457 3.418 20 0 CGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000336145079 277023616 /nfs/dbraw/zinc/02/36/16/277023616.db2.gz POTJDGICMGESFT-HNNXBMFYSA-N 2 1 292.423 3.214 20 0 CGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC3=CCCCC3)C2)C1 ZINC000451066641 277072085 /nfs/dbraw/zinc/07/20/85/277072085.db2.gz CSWZLKVUMXFAPC-QGZVFWFLSA-N 2 1 262.441 3.295 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC000451066641 277072086 /nfs/dbraw/zinc/07/20/86/277072086.db2.gz CSWZLKVUMXFAPC-QGZVFWFLSA-N 2 1 262.441 3.295 20 0 CGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC000451066641 277072087 /nfs/dbraw/zinc/07/20/87/277072087.db2.gz CSWZLKVUMXFAPC-QGZVFWFLSA-N 2 1 262.441 3.295 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000353518068 277171967 /nfs/dbraw/zinc/17/19/67/277171967.db2.gz KPZVXVYNRDWCCL-DSLXNQLJSA-N 2 1 284.447 3.179 20 0 CGADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178039585 277209911 /nfs/dbraw/zinc/20/99/11/277209911.db2.gz WQQRYERUTIZCKH-WMZOPIPTSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423195291 277617637 /nfs/dbraw/zinc/61/76/37/277617637.db2.gz XOZMSURAVYLTAM-DOMZBBRYSA-N 2 1 294.389 3.117 20 0 CGADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H](C)C[NH3+])cc1 ZINC000414932061 277702219 /nfs/dbraw/zinc/70/22/19/277702219.db2.gz SFWJWNCIRCSPJO-COXVUDFISA-N 2 1 276.424 3.047 20 0 CGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423262961 277936008 /nfs/dbraw/zinc/93/60/08/277936008.db2.gz NXDYJSVXICKSMV-PAYONLEZSA-N 2 1 290.451 3.150 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000037408376 278026077 /nfs/dbraw/zinc/02/60/77/278026077.db2.gz IKWSLUFYBODTAR-ILXRZTDVSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000420314024 278124698 /nfs/dbraw/zinc/12/46/98/278124698.db2.gz JRDCGQVJXIKOJS-INIZCTEOSA-N 2 1 286.423 3.103 20 0 CGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000420314024 278124699 /nfs/dbraw/zinc/12/46/99/278124699.db2.gz JRDCGQVJXIKOJS-INIZCTEOSA-N 2 1 286.423 3.103 20 0 CGADMP C[C@H](C1CCCCC1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414758733 278161568 /nfs/dbraw/zinc/16/15/68/278161568.db2.gz NEYQWHZIIIEETL-KFWWJZLASA-N 2 1 252.446 3.275 20 0 CGADMP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423382750 278177188 /nfs/dbraw/zinc/17/71/88/278177188.db2.gz OOJGTQWUSXCGNP-AGIUHOORSA-N 2 1 264.438 3.200 20 0 CGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3cccnc32)C[C@H]1C[NH3+] ZINC000397250857 288022112 /nfs/dbraw/zinc/02/21/12/288022112.db2.gz DERHPMJCNRKNRY-CKEIUWERSA-N 2 1 283.419 3.040 20 0 CGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)s1 ZINC000397281356 288022669 /nfs/dbraw/zinc/02/26/69/288022669.db2.gz APMPDIZUMOMZMD-RWSFTLGLSA-N 2 1 266.454 3.170 20 0 CGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699930 278307358 /nfs/dbraw/zinc/30/73/58/278307358.db2.gz WZJZDECFVZJJEU-IJLUTSLNSA-N 2 1 252.789 3.070 20 0 CGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449078861 278354854 /nfs/dbraw/zinc/35/48/54/278354854.db2.gz WHRIZKCDQAEIGT-ANQUJSFKSA-N 2 1 264.457 3.275 20 0 CGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cnc2ccsc2c1 ZINC000423496450 278366282 /nfs/dbraw/zinc/36/62/82/278366282.db2.gz DWVQWUXPBGLJJY-ABAIWWIYSA-N 2 1 289.448 3.464 20 0 CGADMP C[C@@H]([NH2+][C@H]1CCCc2c(Br)cccc21)[C@H](C)[NH3+] ZINC000423451370 278382646 /nfs/dbraw/zinc/38/26/46/278382646.db2.gz UUMXMPMHIYLIDQ-RBZYPMLTSA-N 2 1 297.240 3.152 20 0 CGADMP CC(C)(C[NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000372567010 278620444 /nfs/dbraw/zinc/62/04/44/278620444.db2.gz FLGQMMMOCVAJMW-OAHLLOKOSA-N 2 1 283.419 3.013 20 0 CGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000453107344 288075725 /nfs/dbraw/zinc/07/57/25/288075725.db2.gz IRTUFCMJWOGVLS-HOTGVXAUSA-N 2 1 296.480 3.026 20 0 CGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459390963 288087984 /nfs/dbraw/zinc/08/79/84/288087984.db2.gz QVKMWVYNYWGQLZ-INIZCTEOSA-N 2 1 272.436 3.386 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000228928978 288089938 /nfs/dbraw/zinc/08/99/38/288089938.db2.gz HAGCZVDFBPOYSR-RCBQFDQVSA-N 2 1 264.388 3.349 20 0 CGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000228928978 288089941 /nfs/dbraw/zinc/08/99/41/288089941.db2.gz HAGCZVDFBPOYSR-RCBQFDQVSA-N 2 1 264.388 3.349 20 0 CGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000459515247 288095695 /nfs/dbraw/zinc/09/56/95/288095695.db2.gz QBPCICLBHZKVEC-AAEUAGOBSA-N 2 1 289.345 3.063 20 0 CGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358390110 279014591 /nfs/dbraw/zinc/01/45/91/279014591.db2.gz WZODRVKCAQZSGU-BLBBIFAFSA-N 2 1 288.410 3.275 20 0 CGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000131499465 288101689 /nfs/dbraw/zinc/10/16/89/288101689.db2.gz NOORJRXXGFHGIM-KEYYUXOJSA-N 2 1 292.442 3.422 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289570487 279258062 /nfs/dbraw/zinc/25/80/62/279258062.db2.gz DGODOOOSDMAZGS-KGLIPLIRSA-N 2 1 271.408 3.226 20 0 CGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3o2)C1 ZINC000519168926 288133937 /nfs/dbraw/zinc/13/39/37/288133937.db2.gz UTCBYNDHNVWCIS-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168926 288133939 /nfs/dbraw/zinc/13/39/39/288133939.db2.gz UTCBYNDHNVWCIS-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168926 288133942 /nfs/dbraw/zinc/13/39/42/288133942.db2.gz UTCBYNDHNVWCIS-RDJZCZTQSA-N 2 1 284.403 3.349 20 0 CGADMP C[C@H]1CCC[C@H](CC[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000422640477 279686729 /nfs/dbraw/zinc/68/67/29/279686729.db2.gz VPUAXJTXFZACQT-LSDHHAIUSA-N 2 1 250.430 3.031 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000527233005 288158970 /nfs/dbraw/zinc/15/89/70/288158970.db2.gz WQDZBVXNVOCFLK-LSDHHAIUSA-N 2 1 252.446 3.277 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[C@H]1C1CC1 ZINC000527666626 288185740 /nfs/dbraw/zinc/18/57/40/288185740.db2.gz PTHDTGBPAHPRKP-AZOXWPJJSA-N 2 1 262.441 3.026 20 0 CGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1C1CC1 ZINC000527666626 288185743 /nfs/dbraw/zinc/18/57/43/288185743.db2.gz PTHDTGBPAHPRKP-AZOXWPJJSA-N 2 1 262.441 3.026 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000346882013 280007804 /nfs/dbraw/zinc/00/78/04/280007804.db2.gz ADEVVLYEQNLSMR-DOTOQJQBSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000346882013 280007807 /nfs/dbraw/zinc/00/78/07/280007807.db2.gz ADEVVLYEQNLSMR-DOTOQJQBSA-N 2 1 272.436 3.224 20 0 CGADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119738844 280025332 /nfs/dbraw/zinc/02/53/32/280025332.db2.gz ZQIYLFMUIWGBGM-SGTLLEGYSA-N 2 1 288.410 3.275 20 0 CGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359221765 280123076 /nfs/dbraw/zinc/12/30/76/280123076.db2.gz XVMGQNXUTIDAQS-LBPRGKRZSA-N 2 1 294.389 3.274 20 0 CGADMP CC(C)[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000415134925 280238678 /nfs/dbraw/zinc/23/86/78/280238678.db2.gz WLAAAYPDXZIMCF-NXHRZFHOSA-N 2 1 274.452 3.343 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000430709082 280328601 /nfs/dbraw/zinc/32/86/01/280328601.db2.gz MBNVKTFREKKFNQ-MHORFTMASA-N 2 1 296.499 3.028 20 0 CGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000430735401 280329116 /nfs/dbraw/zinc/32/91/16/280329116.db2.gz YXFHPSNEFQYHHC-JJXSEGSLSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529533690 288259248 /nfs/dbraw/zinc/25/92/48/288259248.db2.gz SPIOUPGVCLXXJW-FRRDWIJNSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529533690 288259252 /nfs/dbraw/zinc/25/92/52/288259252.db2.gz SPIOUPGVCLXXJW-FRRDWIJNSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529533689 288259333 /nfs/dbraw/zinc/25/93/33/288259333.db2.gz SPIOUPGVCLXXJW-AGIUHOORSA-N 2 1 274.399 3.130 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529533689 288259336 /nfs/dbraw/zinc/25/93/36/288259336.db2.gz SPIOUPGVCLXXJW-AGIUHOORSA-N 2 1 274.399 3.130 20 0 CGADMP Cc1ccc([C@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)c(C)c1 ZINC000262137853 281000811 /nfs/dbraw/zinc/00/08/11/281000811.db2.gz YVWGDTWJQZOMCU-FUHWJXTLSA-N 2 1 272.436 3.092 20 0 CGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530213579 288300926 /nfs/dbraw/zinc/30/09/26/288300926.db2.gz ANYBYDFSCLFDMT-LRDDRELGSA-N 2 1 294.389 3.160 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358140119 281271561 /nfs/dbraw/zinc/27/15/61/281271561.db2.gz WZWPTLYLBAAQMA-VBQJREDUSA-N 2 1 258.409 3.055 20 0 CGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358140119 281271564 /nfs/dbraw/zinc/27/15/64/281271564.db2.gz WZWPTLYLBAAQMA-VBQJREDUSA-N 2 1 258.409 3.055 20 0 CGADMP C[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532201233 288355100 /nfs/dbraw/zinc/35/51/00/288355100.db2.gz RERJJNYSGAVSRE-KRWDZBQOSA-N 2 1 258.409 3.212 20 0 CGADMP Clc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000532449509 288361438 /nfs/dbraw/zinc/36/14/38/288361438.db2.gz KXPVQLWJPMNCFU-SJKOYZFVSA-N 2 1 290.838 3.401 20 0 CGADMP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCOCC1 ZINC000532479195 288364225 /nfs/dbraw/zinc/36/42/25/288364225.db2.gz UYVFIRBCSRAXDW-NJAFHUGGSA-N 2 1 296.499 3.292 20 0 CGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000549139108 289035839 /nfs/dbraw/zinc/03/58/39/289035839.db2.gz QOQPYPQJQUELOC-GOSISDBHSA-N 2 1 274.452 3.283 20 0 CGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCc4ccccc4C3)C2)C1 ZINC000549839878 289055476 /nfs/dbraw/zinc/05/54/76/289055476.db2.gz BIIYQLJCSVWRRR-PXNSSMCTSA-N 2 1 298.474 3.209 20 0 CGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000550859803 289087314 /nfs/dbraw/zinc/08/73/14/289087314.db2.gz YSVPUPHPRUPKPV-SPUZQDLCSA-N 2 1 272.436 3.110 20 0 CGADMP CC(C)C(C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C(C)C ZINC000551583578 289123940 /nfs/dbraw/zinc/12/39/40/289123940.db2.gz SCTZCJYGEVXEOA-OAHLLOKOSA-N 2 1 254.462 3.331 20 0 CGADMP COCc1ccccc1/C=C(\C)C[N@H+](C)CCC[NH+](C)C ZINC000552242843 289174460 /nfs/dbraw/zinc/17/44/60/289174460.db2.gz FMOBTWAUAOSGRZ-DTQAZKPQSA-N 2 1 290.451 3.120 20 0 CGADMP COCc1ccccc1/C=C(\C)C[N@@H+](C)CCC[NH+](C)C ZINC000552242843 289174462 /nfs/dbraw/zinc/17/44/62/289174462.db2.gz FMOBTWAUAOSGRZ-DTQAZKPQSA-N 2 1 290.451 3.120 20 0 CGADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000552276398 289177368 /nfs/dbraw/zinc/17/73/68/289177368.db2.gz WJSNUOFBTQZHIR-OAGGEKHMSA-N 2 1 264.457 3.275 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000554820385 289311300 /nfs/dbraw/zinc/31/13/00/289311300.db2.gz PYDYFVNKZDJHJV-GOSISDBHSA-N 2 1 274.452 3.208 20 0 CGADMP C[C@@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000554879656 289316543 /nfs/dbraw/zinc/31/65/43/289316543.db2.gz ZDISNQOMXNYFPJ-QFBILLFUSA-N 2 1 286.463 3.454 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000556118521 289371718 /nfs/dbraw/zinc/37/17/18/289371718.db2.gz FOIDCCPQWWBUOJ-IXDOHACOSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)C[C@@H]1c1ccccc1 ZINC000556118521 289371719 /nfs/dbraw/zinc/37/17/19/289371719.db2.gz FOIDCCPQWWBUOJ-IXDOHACOSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000556118522 289371755 /nfs/dbraw/zinc/37/17/55/289371755.db2.gz FOIDCCPQWWBUOJ-ULQDDVLXSA-N 2 1 272.436 3.458 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC000556118522 289371757 /nfs/dbraw/zinc/37/17/57/289371757.db2.gz FOIDCCPQWWBUOJ-ULQDDVLXSA-N 2 1 272.436 3.458 20 0 CGADMP CC1=CC[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000556235730 289379426 /nfs/dbraw/zinc/37/94/26/289379426.db2.gz GIQIDDHYICIUOE-JYJNAYRXSA-N 2 1 250.430 3.195 20 0 CGADMP CC1=CC[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000556235730 289379427 /nfs/dbraw/zinc/37/94/27/289379427.db2.gz GIQIDDHYICIUOE-JYJNAYRXSA-N 2 1 250.430 3.195 20 0 CGADMP CCC1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000556588358 289399315 /nfs/dbraw/zinc/39/93/15/289399315.db2.gz CUBCMAQSCUQMEY-UHFFFAOYSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1N(C)C ZINC000178414107 289953026 /nfs/dbraw/zinc/95/30/26/289953026.db2.gz XXKPNHXRSBDYRF-AWEZNQCLSA-N 2 1 293.430 3.028 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)[C@H]2CCC[C@H]21 ZINC000513703135 290215954 /nfs/dbraw/zinc/21/59/54/290215954.db2.gz QVRSOSHMTLXBCJ-QLFBSQMISA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H]1CC(CC[NH2+][C@](C)(C[NH3+])C2CC2)C[C@H](C)C1 ZINC000430586109 290342030 /nfs/dbraw/zinc/34/20/30/290342030.db2.gz XZXDRGHEAVKTLK-XJKCOSOUSA-N 2 1 252.446 3.166 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000158857871 290385066 /nfs/dbraw/zinc/38/50/66/290385066.db2.gz YFJGZPUYHVUSCO-WMZOPIPTSA-N 2 1 294.483 3.142 20 0 CGADMP [NH3+]CC[NH2+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000420419842 295234853 /nfs/dbraw/zinc/23/48/53/295234853.db2.gz XWHCCCARDNRFCQ-RBUKOAKNSA-N 2 1 280.415 3.396 20 0 CGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000420304486 295241170 /nfs/dbraw/zinc/24/11/70/295241170.db2.gz OOJMVWGMKQNDGN-SJLPKXTDSA-N 2 1 288.435 3.002 20 0 CGADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000423331645 295250117 /nfs/dbraw/zinc/25/01/17/295250117.db2.gz MRYZSOSYWDHKAJ-QZTJIDSGSA-N 2 1 288.435 3.063 20 0 CGADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CCCCC1 ZINC000414855546 295264533 /nfs/dbraw/zinc/26/45/33/295264533.db2.gz WYFPNQJVLSBZEL-ULQDDVLXSA-N 2 1 264.457 3.452 20 0 CGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H](C)C1 ZINC000488733389 297305933 /nfs/dbraw/zinc/30/59/33/297305933.db2.gz PBQAQHUQOPCOOP-CLCXKQKWSA-N 2 1 295.430 3.401 20 0 CGADMP C[C@H](C1CCC1)[NH+](C)CCOCC[N@H+](C)[C@H](C)C1CCC1 ZINC000357027917 298263495 /nfs/dbraw/zinc/26/34/95/298263495.db2.gz UDDFQNQDQUTEHG-HZPDHXFCSA-N 2 1 296.499 3.244 20 0 CGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261738931 302100996 /nfs/dbraw/zinc/10/09/96/302100996.db2.gz MNAHYKUEEGZIOU-SFHVURJKSA-N 2 1 272.436 3.002 20 0 CGADMP Cc1ccccc1OCCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414710120 302107038 /nfs/dbraw/zinc/10/70/38/302107038.db2.gz RVTIGKYHLNLNNH-SJORKVTESA-N 2 1 290.451 3.084 20 0 CGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000563654059 322005560 /nfs/dbraw/zinc/00/55/60/322005560.db2.gz BDULEEITWMNHHU-JZXOWHBKSA-N 2 1 289.467 3.426 20 0 CGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000563654059 322005561 /nfs/dbraw/zinc/00/55/61/322005561.db2.gz BDULEEITWMNHHU-JZXOWHBKSA-N 2 1 289.467 3.426 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000564416818 322030264 /nfs/dbraw/zinc/03/02/64/322030264.db2.gz FKPLKOWIZPWUSJ-JKSUJKDBSA-N 2 1 262.441 3.244 20 0 CGADMP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000564416818 322030265 /nfs/dbraw/zinc/03/02/65/322030265.db2.gz FKPLKOWIZPWUSJ-JKSUJKDBSA-N 2 1 262.441 3.244 20 0 CGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000564689988 322038983 /nfs/dbraw/zinc/03/89/83/322038983.db2.gz OGOOPUPZTOVLIU-YYIAUSFCSA-N 2 1 294.483 3.044 20 0 CGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000564689988 322038985 /nfs/dbraw/zinc/03/89/85/322038985.db2.gz OGOOPUPZTOVLIU-YYIAUSFCSA-N 2 1 294.483 3.044 20 0 CGADMP C[C@H](CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000564798743 322043456 /nfs/dbraw/zinc/04/34/56/322043456.db2.gz QTLLJDUJNDXMHF-WBVHZDCISA-N 2 1 292.492 3.334 20 0 CGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000565618181 322084394 /nfs/dbraw/zinc/08/43/94/322084394.db2.gz BDHDNEKOFWITPZ-CAOSSQGBSA-N 2 1 252.446 3.418 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000566000568 322100169 /nfs/dbraw/zinc/10/01/69/322100169.db2.gz JOHMLSNZOXKDAC-VGWMRTNUSA-N 2 1 264.457 3.275 20 0 CGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230454 322110362 /nfs/dbraw/zinc/11/03/62/322110362.db2.gz WUBNLGOWWUPJLU-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230454 322110364 /nfs/dbraw/zinc/11/03/64/322110364.db2.gz WUBNLGOWWUPJLU-SFHVURJKSA-N 2 1 288.435 3.049 20 0 CGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000566230280 322110449 /nfs/dbraw/zinc/11/04/49/322110449.db2.gz XTDFVMPEJOILLG-WDEREUQCSA-N 2 1 293.411 3.165 20 0 CGADMP CCC(CC)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000566415933 322120866 /nfs/dbraw/zinc/12/08/66/322120866.db2.gz GSPGFLKMSICUGC-ZWKOTPCHSA-N 2 1 292.467 3.066 20 0 CGADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000568049027 322189993 /nfs/dbraw/zinc/18/99/93/322189993.db2.gz KCDBOZKJROTNLV-ARFHVFGLSA-N 2 1 252.446 3.133 20 0 CGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2s1 ZINC000568161919 322195093 /nfs/dbraw/zinc/19/50/93/322195093.db2.gz LTEFEAOZGGGULT-AAEUAGOBSA-N 2 1 260.406 3.213 20 0 CGADMP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)c1 ZINC000568368460 322206242 /nfs/dbraw/zinc/20/62/42/322206242.db2.gz PXAPXHPJVVQRJM-DLBZAZTESA-N 2 1 290.451 3.076 20 0 CGADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)c1 ZINC000568368460 322206243 /nfs/dbraw/zinc/20/62/43/322206243.db2.gz PXAPXHPJVVQRJM-DLBZAZTESA-N 2 1 290.451 3.076 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCc1cncn1C ZINC000568881927 322225770 /nfs/dbraw/zinc/22/57/70/322225770.db2.gz ZGJJQJAWZJVRLZ-AWEZNQCLSA-N 2 1 257.381 3.046 20 0 CGADMP C[C@@H](c1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000568881927 322225773 /nfs/dbraw/zinc/22/57/73/322225773.db2.gz ZGJJQJAWZJVRLZ-AWEZNQCLSA-N 2 1 257.381 3.046 20 0 CGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000568881927 322225774 /nfs/dbraw/zinc/22/57/74/322225774.db2.gz ZGJJQJAWZJVRLZ-AWEZNQCLSA-N 2 1 257.381 3.046 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000569155383 322237431 /nfs/dbraw/zinc/23/74/31/322237431.db2.gz CWRJWLXINLBYTM-UGUYLWEFSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000569155383 322237432 /nfs/dbraw/zinc/23/74/32/322237432.db2.gz CWRJWLXINLBYTM-UGUYLWEFSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000569155383 322237433 /nfs/dbraw/zinc/23/74/33/322237433.db2.gz CWRJWLXINLBYTM-UGUYLWEFSA-N 2 1 252.446 3.085 20 0 CGADMP C[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000569155383 322237434 /nfs/dbraw/zinc/23/74/34/322237434.db2.gz CWRJWLXINLBYTM-UGUYLWEFSA-N 2 1 252.446 3.085 20 0 CGADMP CC[NH2+]CCC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000570953586 322286329 /nfs/dbraw/zinc/28/63/29/322286329.db2.gz PURGRAHIFKQDHL-MRXNPFEDSA-N 2 1 264.413 3.409 20 0 CGADMP CC[NH2+]CCC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000573436663 322387707 /nfs/dbraw/zinc/38/77/07/322387707.db2.gz AAKXBROLXZPXJT-HNNXBMFYSA-N 2 1 270.367 3.251 20 0 CGADMP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cscn1 ZINC000578879244 327352744 /nfs/dbraw/zinc/35/27/44/327352744.db2.gz AJARKLGUUAQIMS-OCCSQVGLSA-N 2 1 275.421 3.274 20 0 CGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000582513947 329099299 /nfs/dbraw/zinc/09/92/99/329099299.db2.gz TWWYOBFKAWKPOE-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000582861622 329278041 /nfs/dbraw/zinc/27/80/41/329278041.db2.gz PFQQFDUQKZRKNV-HRCADAONSA-N 2 1 252.446 3.131 20 0 CGADMP COc1ccc(-c2ccccc2)cc1C[N@H+](C)CCC[NH3+] ZINC000583143904 329321727 /nfs/dbraw/zinc/32/17/27/329321727.db2.gz JMYCRRPDMIBVLR-UHFFFAOYSA-N 2 1 284.403 3.143 20 0 CGADMP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)CCC[NH3+] ZINC000583143904 329321729 /nfs/dbraw/zinc/32/17/29/329321729.db2.gz JMYCRRPDMIBVLR-UHFFFAOYSA-N 2 1 284.403 3.143 20 0 CGADMP CC(C)C[C@@H](C)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000583171755 329333145 /nfs/dbraw/zinc/33/31/45/329333145.db2.gz CUONGLSRFLKPDT-QGZVFWFLSA-N 2 1 296.499 3.293 20 0 CGADMP COc1cccc2c(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)ccnc12 ZINC000576201647 335168630 /nfs/dbraw/zinc/16/86/30/335168630.db2.gz IMPLNDBGNZDQRO-STQMWFEESA-N 2 1 297.402 3.281 20 0 CGADMP CSc1ccccc1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000576476108 335209140 /nfs/dbraw/zinc/20/91/40/335209140.db2.gz STTZCYCMXIQDEX-CYBMUJFWSA-N 2 1 289.448 3.425 20 0 CGADMP Cc1cnccc1CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000576820241 335251537 /nfs/dbraw/zinc/25/15/37/335251537.db2.gz QEOHAJMNVKXBII-CYBMUJFWSA-N 2 1 275.421 3.125 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(OC(F)F)cc1C ZINC000576874441 335258834 /nfs/dbraw/zinc/25/88/34/335258834.db2.gz PHNNBSDNYZHCEF-ZDUSSCGKSA-N 2 1 298.377 3.076 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(OC(F)F)cc1C ZINC000576874441 335258835 /nfs/dbraw/zinc/25/88/35/335258835.db2.gz PHNNBSDNYZHCEF-ZDUSSCGKSA-N 2 1 298.377 3.076 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000577144117 335308285 /nfs/dbraw/zinc/30/82/85/335308285.db2.gz BHOFPWOIWZLDIJ-CYBMUJFWSA-N 2 1 298.833 3.343 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000577236768 335328293 /nfs/dbraw/zinc/32/82/93/335328293.db2.gz NYKFKCUCXJHOCR-HOCLYGCPSA-N 2 1 278.415 3.221 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000577236768 335328295 /nfs/dbraw/zinc/32/82/95/335328295.db2.gz NYKFKCUCXJHOCR-HOCLYGCPSA-N 2 1 278.415 3.221 20 0 CGADMP COc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000423270878 533776297 /nfs/dbraw/zinc/77/62/97/533776297.db2.gz XDXVJWLDYKXHCG-GUYCJALGSA-N 2 1 276.424 3.253 20 0 CGADMP C[C@@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000437595802 533808349 /nfs/dbraw/zinc/80/83/49/533808349.db2.gz ZTVGRGWJUGCJQS-HNNXBMFYSA-N 2 1 290.426 3.489 20 0 CGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2occc2c1 ZINC000334749405 533900591 /nfs/dbraw/zinc/90/05/91/533900591.db2.gz JXLQFQCXGGZNRU-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2occc2c1 ZINC000334749405 533900599 /nfs/dbraw/zinc/90/05/99/533900599.db2.gz JXLQFQCXGGZNRU-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2occc2c1 ZINC000334749405 533900603 /nfs/dbraw/zinc/90/06/03/533900603.db2.gz JXLQFQCXGGZNRU-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2occc2c1 ZINC000334749405 533900608 /nfs/dbraw/zinc/90/06/08/533900608.db2.gz JXLQFQCXGGZNRU-XJKSGUPXSA-N 2 1 272.392 3.205 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000103173867 534064693 /nfs/dbraw/zinc/06/46/93/534064693.db2.gz VVZMARYHLLKBFF-SFHVURJKSA-N 2 1 298.430 3.242 20 0 CGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000103173867 534064702 /nfs/dbraw/zinc/06/47/02/534064702.db2.gz VVZMARYHLLKBFF-SFHVURJKSA-N 2 1 298.430 3.242 20 0 CGADMP Cc1cnc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000449081678 534555787 /nfs/dbraw/zinc/55/57/87/534555787.db2.gz HCTDUIQCDIVMKC-ZDUSSCGKSA-N 2 1 281.469 3.196 20 0 CGADMP CCOc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157387131 521375665 /nfs/dbraw/zinc/37/56/65/521375665.db2.gz YWPYLSBIRARYGV-ROUUACIJSA-N 2 1 282.387 3.320 20 0 CGADMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000334841873 534568095 /nfs/dbraw/zinc/56/80/95/534568095.db2.gz XIRGQCKGTNBHRX-UHFFFAOYSA-N 2 1 274.339 3.009 20 0 CGADMP Cc1nc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cs1 ZINC000423293924 534600354 /nfs/dbraw/zinc/60/03/54/534600354.db2.gz SNPBWHHUJYOWHR-MNOVXSKESA-N 2 1 275.421 3.322 20 0 CGADMP Clc1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000437172888 534639916 /nfs/dbraw/zinc/63/99/16/534639916.db2.gz QROUQJKDMUMAIB-SNVBAGLBSA-N 2 1 273.207 3.083 20 0 CGADMP C[N@@H+](CCC1CCCCC1)CCC1CC[NH2+]CC1 ZINC000258888692 522711278 /nfs/dbraw/zinc/71/12/78/522711278.db2.gz CKEVCTUWBMTDHJ-UHFFFAOYSA-N 2 1 252.446 3.278 20 0 CGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643972 522866883 /nfs/dbraw/zinc/86/68/83/522866883.db2.gz XENQXFNQEPKKMO-RHSMWYFYSA-N 2 1 276.424 3.078 20 0 CGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000051919477 522932467 /nfs/dbraw/zinc/93/24/67/522932467.db2.gz BKYKTYQOAVEASN-NSHDSACASA-N 2 1 272.845 3.223 20 0 CGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000049553620 524167522 /nfs/dbraw/zinc/16/75/22/524167522.db2.gz DMJOMJSDXTUSPM-VXGBXAGGSA-N 2 1 286.366 3.279 20 0 CGADMP Cc1cccc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000157790350 524519060 /nfs/dbraw/zinc/51/90/60/524519060.db2.gz ZVBZXTSECHKCPL-SFHVURJKSA-N 2 1 295.430 3.348 20 0 CGADMP Cc1cccc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000157790350 524519067 /nfs/dbraw/zinc/51/90/67/524519067.db2.gz ZVBZXTSECHKCPL-SFHVURJKSA-N 2 1 295.430 3.348 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000062657675 524530087 /nfs/dbraw/zinc/53/00/87/524530087.db2.gz WRMSSCKRSYGMOD-CQSZACIVSA-N 2 1 260.425 3.168 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000062657675 524530093 /nfs/dbraw/zinc/53/00/93/524530093.db2.gz WRMSSCKRSYGMOD-CQSZACIVSA-N 2 1 260.425 3.168 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000157696459 524805358 /nfs/dbraw/zinc/80/53/58/524805358.db2.gz MQISVUWMNVEFET-OKKATSDQSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000157696459 524805363 /nfs/dbraw/zinc/80/53/63/524805363.db2.gz MQISVUWMNVEFET-OKKATSDQSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000157807416 525437289 /nfs/dbraw/zinc/43/72/89/525437289.db2.gz SEKYREFMTDWEEG-AFVSCTSBSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000157807416 525437294 /nfs/dbraw/zinc/43/72/94/525437294.db2.gz SEKYREFMTDWEEG-AFVSCTSBSA-N 2 1 276.399 3.144 20 0 CGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000094826950 525483821 /nfs/dbraw/zinc/48/38/21/525483821.db2.gz AHJLSZITUQMVTN-NEPJUHHUSA-N 2 1 280.362 3.100 20 0 CGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cnc2ccsc2c1 ZINC000085433797 525595390 /nfs/dbraw/zinc/59/53/90/525595390.db2.gz GXVUUFSVNZVERW-NWDGAFQWSA-N 2 1 277.437 3.287 20 0 CGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC=CCC3)CC2)cc1 ZINC000088747507 526468098 /nfs/dbraw/zinc/46/80/98/526468098.db2.gz SOIWDNAHEWCMGY-QGZVFWFLSA-N 2 1 270.420 3.349 20 0 CGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCOc1cccc(Cl)c1 ZINC000420366490 526620372 /nfs/dbraw/zinc/62/03/72/526620372.db2.gz RFKXSRFFKSCQSL-CQSZACIVSA-N 2 1 284.831 3.072 20 0 CGADMP CC(C)(C)[C@@H]([NH2+]CC1C[NH2+]C1)c1cc2ccccc2o1 ZINC000423306170 526637846 /nfs/dbraw/zinc/63/78/46/526637846.db2.gz SGKWNLFCUYQHMO-INIZCTEOSA-N 2 1 272.392 3.329 20 0 CGADMP CC(C)(C[NH2+]Cc1cc2cccnc2o1)C[NH+]1CCCC1 ZINC000449285131 527171636 /nfs/dbraw/zinc/17/16/36/527171636.db2.gz PZYSKHIWYNOPIF-UHFFFAOYSA-N 2 1 287.407 3.039 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164206655 527192516 /nfs/dbraw/zinc/19/25/16/527192516.db2.gz LBEMISQOIUXVOQ-NSHDSACASA-N 2 1 270.779 3.040 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449089880 527744044 /nfs/dbraw/zinc/74/40/44/527744044.db2.gz LPNFQSRINGDNPX-CABCVRRESA-N 2 1 286.419 3.295 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCOC(C)(C)C)C[C@H]1C ZINC000354860929 527753667 /nfs/dbraw/zinc/75/36/67/527753667.db2.gz PXNJJSULMBASDK-HZPDHXFCSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCOC(C)(C)C)C[C@H]1C ZINC000354860929 527753670 /nfs/dbraw/zinc/75/36/70/527753670.db2.gz PXNJJSULMBASDK-HZPDHXFCSA-N 2 1 284.488 3.386 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCOC(C)(C)C)C[C@H]1C ZINC000354860929 527753675 /nfs/dbraw/zinc/75/36/75/527753675.db2.gz PXNJJSULMBASDK-HZPDHXFCSA-N 2 1 284.488 3.386 20 0 CGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423286820 527783078 /nfs/dbraw/zinc/78/30/78/527783078.db2.gz IZGVVDGPSPWOBQ-CQSZACIVSA-N 2 1 278.440 3.499 20 0 CGADMP CC(C)CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423512516 527810501 /nfs/dbraw/zinc/81/05/01/527810501.db2.gz UUUKLLWMWQZKNV-CVEARBPZSA-N 2 1 252.446 3.308 20 0 CGADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccoc1 ZINC000423367317 527848618 /nfs/dbraw/zinc/84/86/18/527848618.db2.gz AEGGAXADWQXCAL-IMJJTQAJSA-N 2 1 264.413 3.487 20 0 CGADMP CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423344716 528106553 /nfs/dbraw/zinc/10/65/53/528106553.db2.gz XCMPTMNFCRJUHT-CGTJXYLNSA-N 2 1 290.451 3.309 20 0 CGADMP CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423440942 528164447 /nfs/dbraw/zinc/16/44/47/528164447.db2.gz ITKLMOTYLZWYKR-RDBSUJKOSA-N 2 1 264.413 3.108 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436275805 528262505 /nfs/dbraw/zinc/26/25/05/528262505.db2.gz QTISRHXKVHLWNG-CYBMUJFWSA-N 2 1 289.398 3.129 20 0 CGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(CSC)CC1 ZINC000449076505 528266402 /nfs/dbraw/zinc/26/64/02/528266402.db2.gz TVHSLPVJRRFPQV-WLYUNCDWSA-N 2 1 272.502 3.228 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@H](C)c1cccc(OC)c1 ZINC000359211854 528431174 /nfs/dbraw/zinc/43/11/74/528431174.db2.gz MVZXNPSOYQWAMO-OAHLLOKOSA-N 2 1 290.451 3.468 20 0 CGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)C[NH2+]C ZINC000423276115 528475287 /nfs/dbraw/zinc/47/52/87/528475287.db2.gz OAIJGENCGPPPPN-RYUDHWBXSA-N 2 1 284.831 3.245 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423263973 528518919 /nfs/dbraw/zinc/51/89/19/528518919.db2.gz PGHGLIGKYKNLOK-DGCLKSJQSA-N 2 1 286.366 3.312 20 0 CGADMP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1OCC ZINC000423338137 528592808 /nfs/dbraw/zinc/59/28/08/528592808.db2.gz VRNCELGLOYURLN-CYBMUJFWSA-N 2 1 292.423 3.016 20 0 CGADMP CCCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423332039 528688844 /nfs/dbraw/zinc/68/88/44/528688844.db2.gz QMUJODMFYMYQTE-CQSZACIVSA-N 2 1 276.424 3.398 20 0 CGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000423298414 528821585 /nfs/dbraw/zinc/82/15/85/528821585.db2.gz OJJXQCCRCYFECN-GXTWGEPZSA-N 2 1 264.438 3.331 20 0 CGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000423286514 528951083 /nfs/dbraw/zinc/95/10/83/528951083.db2.gz HSGCKIPGSFITKX-NSHDSACASA-N 2 1 286.366 3.456 20 0 CGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000423297103 528957398 /nfs/dbraw/zinc/95/73/98/528957398.db2.gz ITPXDXDZJDKLMI-VXGBXAGGSA-N 2 1 294.468 3.111 20 0 CGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2OCCC(C)C)CC1 ZINC000436311548 528988112 /nfs/dbraw/zinc/98/81/12/528988112.db2.gz ZKTUKGPURGXDJM-QZTJIDSGSA-N 2 1 296.499 3.434 20 0 CGADMP CCC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(OC)cc1 ZINC000423270625 529010876 /nfs/dbraw/zinc/01/08/76/529010876.db2.gz IEXDLFLKKOEYDR-JKSUJKDBSA-N 2 1 264.413 3.109 20 0 CGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423273691 529071068 /nfs/dbraw/zinc/07/10/68/529071068.db2.gz KVLMUBRGXCSKJJ-ZIAGYGMSSA-N 2 1 297.240 3.009 20 0 CGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000437762023 529085262 /nfs/dbraw/zinc/08/52/62/529085262.db2.gz JJDYZSFERUPCQK-QGZVFWFLSA-N 2 1 297.446 3.365 20 0 CGADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000423288835 529155360 /nfs/dbraw/zinc/15/53/60/529155360.db2.gz VHZBPRZIIRHMDK-GFCCVEGCSA-N 2 1 285.229 3.227 20 0 CGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(C)ccc1OC ZINC000423356670 529167775 /nfs/dbraw/zinc/16/77/75/529167775.db2.gz HDISSFBGSKBMSH-GDBMZVCRSA-N 2 1 276.424 3.186 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000423472836 529246654 /nfs/dbraw/zinc/24/66/54/529246654.db2.gz QJOSUJPVKVUVJM-DGCLKSJQSA-N 2 1 252.427 3.187 20 0 CGADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000423472844 529246953 /nfs/dbraw/zinc/24/69/53/529246953.db2.gz QJOSUJPVKVUVJM-YPMHNXCESA-N 2 1 252.427 3.187 20 0 CGADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423313717 529257671 /nfs/dbraw/zinc/25/76/71/529257671.db2.gz GBMPJMXDJQZCDI-SMDDNHRTSA-N 2 1 264.438 3.187 20 0 CGADMP CC[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423158647 529287311 /nfs/dbraw/zinc/28/73/11/529287311.db2.gz OKRISBKMKZTYGK-MCIONIFRSA-N 2 1 261.413 3.361 20 0 CGADMP CC(C)[C@@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCC(C)CC1 ZINC000486984630 535191504 /nfs/dbraw/zinc/19/15/04/535191504.db2.gz SRZIGWJAPGCFBH-HZPDHXFCSA-N 2 1 284.513 3.086 20 0 CGADMP CCC[N@H+](CC)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000484467502 535301025 /nfs/dbraw/zinc/30/10/25/535301025.db2.gz ACBZIOCCMOAFRT-GOSISDBHSA-N 2 1 274.452 3.329 20 0 CGADMP CCC[N@@H+](CC)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000484467502 535301030 /nfs/dbraw/zinc/30/10/30/535301030.db2.gz ACBZIOCCMOAFRT-GOSISDBHSA-N 2 1 274.452 3.329 20 0 CGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422904564 535819812 /nfs/dbraw/zinc/81/98/12/535819812.db2.gz GYIAKBVZBJMRQN-ZACQAIPSSA-N 2 1 295.515 3.137 20 0 CGADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459583591 535892253 /nfs/dbraw/zinc/89/22/53/535892253.db2.gz HFNJWGXDVXSOMP-JKSUJKDBSA-N 2 1 250.430 3.028 20 0 CGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1OC ZINC000037644437 535912672 /nfs/dbraw/zinc/91/26/72/535912672.db2.gz KTSHPIOPLUFBKO-ZBFHGGJFSA-N 2 1 276.424 3.078 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453431379 536885943 /nfs/dbraw/zinc/88/59/43/536885943.db2.gz RCCOGPFQUVYBKZ-CQSZACIVSA-N 2 1 276.424 3.220 20 0 CGADMP COc1cc2ccccc2cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000451174387 536894069 /nfs/dbraw/zinc/89/40/69/536894069.db2.gz WVPNVUVGVAUZSV-AWEZNQCLSA-N 2 1 286.419 3.136 20 0 CGADMP CCC(C)(C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019879741 567211263 /nfs/dbraw/zinc/21/12/63/567211263.db2.gz YXJNNHOWIIXGEE-UHFFFAOYSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876737 572343927 /nfs/dbraw/zinc/34/39/27/572343927.db2.gz NGRWWDAGRRYKBT-CPUCHLNUSA-N 2 1 276.399 3.351 20 0 CGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876737 572343931 /nfs/dbraw/zinc/34/39/31/572343931.db2.gz NGRWWDAGRRYKBT-CPUCHLNUSA-N 2 1 276.399 3.351 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000742385852 572574253 /nfs/dbraw/zinc/57/42/53/572574253.db2.gz YMCFDEHUJARLLF-MAUKXSAKSA-N 2 1 290.451 3.294 20 0 CGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000415141713 617938432 /nfs/dbraw/zinc/93/84/32/617938432.db2.gz PVMGDGFALPDUPM-PMPSAXMXSA-N 2 1 250.430 3.031 20 0 CGADMP Cc1nc([C@H]2CCC[N@H+]2CCCCCC[NH3+])cs1 ZINC000846220747 618079093 /nfs/dbraw/zinc/07/90/93/618079093.db2.gz PBIPHCJOLIPJTA-CQSZACIVSA-N 2 1 267.442 3.108 20 0 CGADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1C ZINC000933485510 618237177 /nfs/dbraw/zinc/23/71/77/618237177.db2.gz GJYUIZCRICTYOG-GDBMZVCRSA-N 2 1 276.424 3.139 20 0 CGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000892059532 618512561 /nfs/dbraw/zinc/51/25/61/618512561.db2.gz ACORKNZRKYYTSV-CRAIPNDOSA-N 2 1 272.436 3.206 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934559360 618646334 /nfs/dbraw/zinc/64/63/34/618646334.db2.gz MADHCEYKWJAEJY-OAHLLOKOSA-N 2 1 292.471 3.066 20 0 CGADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836874 618701118 /nfs/dbraw/zinc/70/11/18/618701118.db2.gz HDYSSZNJBUDVMD-ROUUACIJSA-N 2 1 294.483 3.001 20 0 CGADMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@H]1[NH3+] ZINC000251915381 618744791 /nfs/dbraw/zinc/74/47/91/618744791.db2.gz XNGHVLRPDLMGCD-SMDDNHRTSA-N 2 1 260.406 3.070 20 0 CGADMP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000924527967 618776767 /nfs/dbraw/zinc/77/67/67/618776767.db2.gz XURLJLMRRCQDMD-INIZCTEOSA-N 2 1 275.440 3.100 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926701349 618830334 /nfs/dbraw/zinc/83/03/34/618830334.db2.gz HKCLSKZGAPEYLG-WBVHZDCISA-N 2 1 287.451 3.009 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926701349 618830337 /nfs/dbraw/zinc/83/03/37/618830337.db2.gz HKCLSKZGAPEYLG-WBVHZDCISA-N 2 1 287.451 3.009 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CCCCC1 ZINC000924559617 618831869 /nfs/dbraw/zinc/83/18/69/618831869.db2.gz LRKOEKSDPGYJIG-SJORKVTESA-N 2 1 294.483 3.046 20 0 CGADMP COc1ccnc([C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000924573549 618856331 /nfs/dbraw/zinc/85/63/31/618856331.db2.gz QDQPEJRKHPCMFP-LSDHHAIUSA-N 2 1 291.439 3.005 20 0 CGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC1CCC(OC)CC1 ZINC000892947499 618960764 /nfs/dbraw/zinc/96/07/64/618960764.db2.gz FCPAPRVHKWKJDR-CGZBRXJRSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC1CCC(OC)CC1 ZINC000892947499 618960766 /nfs/dbraw/zinc/96/07/66/618960766.db2.gz FCPAPRVHKWKJDR-CGZBRXJRSA-N 2 1 282.472 3.046 20 0 CGADMP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925655903 619112041 /nfs/dbraw/zinc/11/20/41/619112041.db2.gz MIESAPRWXFKZCN-FVQBIDKESA-N 2 1 290.838 3.460 20 0 CGADMP c1ccc2c(c1)SC[C@H]2C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925678869 619127785 /nfs/dbraw/zinc/12/77/85/619127785.db2.gz HHMHKRWCRSKKKX-CJNGLKHVSA-N 2 1 288.460 3.140 20 0 CGADMP C[C@@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)CC(C)(C)C ZINC000931285608 619138304 /nfs/dbraw/zinc/13/83/04/619138304.db2.gz RGSGMGSMEDKIEC-MRXNPFEDSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)CC(C)(C)C ZINC000931285608 619138306 /nfs/dbraw/zinc/13/83/06/619138306.db2.gz RGSGMGSMEDKIEC-MRXNPFEDSA-N 2 1 296.499 3.245 20 0 CGADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccccc1 ZINC000925712692 619158550 /nfs/dbraw/zinc/15/85/50/619158550.db2.gz ZBEGCZZDZAJXEU-UBHSHLNASA-N 2 1 268.351 3.100 20 0 CGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(C(F)(F)F)nc1 ZINC000925731448 619204519 /nfs/dbraw/zinc/20/45/19/619204519.db2.gz KSCAIQAWVBCGPN-UFGOTCBOSA-N 2 1 299.340 3.021 20 0 CGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(F)c1 ZINC000925775332 619238133 /nfs/dbraw/zinc/23/81/33/619238133.db2.gz FTXMVISAZSIYEO-GXTWGEPZSA-N 2 1 286.341 3.111 20 0 CGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)CCC2 ZINC000925776982 619239864 /nfs/dbraw/zinc/23/98/64/619239864.db2.gz BMGBDTHRYPYMFL-LRDDRELGSA-N 2 1 294.389 3.071 20 0 CGADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925781740 619243484 /nfs/dbraw/zinc/24/34/84/619243484.db2.gz JOZUIKLMAYFTRM-DZGCQCFKSA-N 2 1 282.378 3.199 20 0 CGADMP C[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000261457211 619269558 /nfs/dbraw/zinc/26/95/58/619269558.db2.gz OHBQNIVFAIMLSH-HZPDHXFCSA-N 2 1 252.446 3.230 20 0 CGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000261587787 619289676 /nfs/dbraw/zinc/28/96/76/619289676.db2.gz JPDHLQFKZIHAAA-CYBMUJFWSA-N 2 1 274.330 3.168 20 0 CGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ocnc2C)cc1 ZINC000894154124 619394257 /nfs/dbraw/zinc/39/42/57/619394257.db2.gz SFMZHEGQEFTGGM-UHFFFAOYSA-N 2 1 287.407 3.115 20 0 CGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(O)cc(F)c2)C1 ZINC000924959600 619461891 /nfs/dbraw/zinc/46/18/91/619461891.db2.gz KERGSBJWVFBGEZ-UONOGXRCSA-N 2 1 294.414 3.302 20 0 CGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(O)cc(F)c2)C1 ZINC000924959600 619461896 /nfs/dbraw/zinc/46/18/96/619461896.db2.gz KERGSBJWVFBGEZ-UONOGXRCSA-N 2 1 294.414 3.302 20 0 CGADMP C[N@@H+](CC1CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000894294267 619470153 /nfs/dbraw/zinc/47/01/53/619470153.db2.gz LRFPIHSMOVWHOE-UHFFFAOYSA-N 2 1 260.425 3.195 20 0 CGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000894862053 619658178 /nfs/dbraw/zinc/65/81/78/619658178.db2.gz ZJNXNPQTRCWASH-WBVHZDCISA-N 2 1 272.436 3.038 20 0 CGADMP CCCOc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262085289 619700271 /nfs/dbraw/zinc/70/02/71/619700271.db2.gz UGDPBKOQKMTWLN-UHFFFAOYSA-N 2 1 288.435 3.051 20 0 CGADMP Cc1ncsc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895377626 619816324 /nfs/dbraw/zinc/81/63/24/619816324.db2.gz OEFSJZPHIJOTJI-JSGCOSHPSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ncsc1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895377626 619816326 /nfs/dbraw/zinc/81/63/26/619816326.db2.gz OEFSJZPHIJOTJI-JSGCOSHPSA-N 2 1 281.469 3.004 20 0 CGADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000895672326 619869225 /nfs/dbraw/zinc/86/92/25/619869225.db2.gz WPQFQFQNGBLCCV-UHFFFAOYSA-N 2 1 264.438 3.117 20 0 CGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621755 620411783 /nfs/dbraw/zinc/41/17/83/620411783.db2.gz REKPVKWNLXUWON-WTGUMLROSA-N 2 1 298.474 3.380 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621755 620411786 /nfs/dbraw/zinc/41/17/86/620411786.db2.gz REKPVKWNLXUWON-WTGUMLROSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621755 620411793 /nfs/dbraw/zinc/41/17/93/620411793.db2.gz REKPVKWNLXUWON-WTGUMLROSA-N 2 1 298.474 3.380 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897621755 620411800 /nfs/dbraw/zinc/41/18/00/620411800.db2.gz REKPVKWNLXUWON-WTGUMLROSA-N 2 1 298.474 3.380 20 0 CGADMP Cc1ccc(CC[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982958 620462216 /nfs/dbraw/zinc/46/22/16/620462216.db2.gz SQBZJARGGNPMGF-UHFFFAOYSA-N 2 1 272.436 3.144 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)CC1(C)C ZINC000898013770 620465860 /nfs/dbraw/zinc/46/58/60/620465860.db2.gz HWTZRKWLOZGNQE-OLZOCXBDSA-N 2 1 274.399 3.274 20 0 CGADMP C1=CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000898032173 620470214 /nfs/dbraw/zinc/47/02/14/620470214.db2.gz LIKHDRPPOLGEIQ-YESZJQIVSA-N 2 1 262.441 3.339 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000898308123 620509792 /nfs/dbraw/zinc/50/97/92/620509792.db2.gz OXWVDMJZWKFFDH-UHFFFAOYSA-N 2 1 273.424 3.188 20 0 CGADMP C[C@H](Cc1ccccn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924689491 620563600 /nfs/dbraw/zinc/56/36/00/620563600.db2.gz YLWCECWSROUMGO-IAGOWNOFSA-N 2 1 289.467 3.114 20 0 CGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1(Cl)CC1 ZINC000924689030 620563625 /nfs/dbraw/zinc/56/36/25/620563625.db2.gz WFVZUNRMMFWOGY-KGLIPLIRSA-N 2 1 272.864 3.391 20 0 CGADMP CNc1ccccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000902301953 621245382 /nfs/dbraw/zinc/24/53/82/621245382.db2.gz YFFRQTQUMGXSEF-UHFFFAOYSA-N 2 1 287.451 3.225 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000902407049 621293055 /nfs/dbraw/zinc/29/30/55/621293055.db2.gz ONIUHKZOBWFMQS-TZMCWYRMSA-N 2 1 298.352 3.422 20 0 CGADMP [NH3+]C1(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000902413328 621322383 /nfs/dbraw/zinc/32/23/83/621322383.db2.gz KJFLRKSLHMFGEF-OAHLLOKOSA-N 2 1 262.372 3.138 20 0 CGADMP COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000902727686 621414582 /nfs/dbraw/zinc/41/45/82/621414582.db2.gz AKMIXVMMLXNWBR-ACJLOTCBSA-N 2 1 288.435 3.002 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)C2CCOCC2)C1 ZINC000902761642 621430290 /nfs/dbraw/zinc/43/02/90/621430290.db2.gz VTYJBMCAIZKBPQ-SJLPKXTDSA-N 2 1 296.499 3.149 20 0 CGADMP c1cc2c(o1)CCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903064314 621551527 /nfs/dbraw/zinc/55/15/27/621551527.db2.gz BTWJATKEZFUZJC-YYDPCCRISA-N 2 1 286.419 3.404 20 0 CGADMP c1cc2c(o1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903064314 621551532 /nfs/dbraw/zinc/55/15/32/621551532.db2.gz BTWJATKEZFUZJC-YYDPCCRISA-N 2 1 286.419 3.404 20 0 CGADMP c1cc2c(o1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903064314 621551536 /nfs/dbraw/zinc/55/15/36/621551536.db2.gz BTWJATKEZFUZJC-YYDPCCRISA-N 2 1 286.419 3.404 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903097036 621585767 /nfs/dbraw/zinc/58/57/67/621585767.db2.gz BDCSYCCQPUAKLI-WYQXTGKHSA-N 2 1 264.457 3.416 20 0 CGADMP CC(C)(C[NH2+][C@H](c1ccccn1)C1CC1)C[NH+]1CCCC1 ZINC000903161715 621608034 /nfs/dbraw/zinc/60/80/34/621608034.db2.gz VXUSTFHLSHTDAL-KRWDZBQOSA-N 2 1 287.451 3.244 20 0 CGADMP FC1(F)CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903182525 621616297 /nfs/dbraw/zinc/61/62/97/621616297.db2.gz CYLSLOGSVHMDJG-LQDVMPOASA-N 2 1 284.394 3.169 20 0 CGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903194327 621621264 /nfs/dbraw/zinc/62/12/64/621621264.db2.gz MYSZFROYTZWNCN-IKKMQULASA-N 2 1 250.430 3.168 20 0 CGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CC2)[C@H](C)C1 ZINC000903244597 621636979 /nfs/dbraw/zinc/63/69/79/621636979.db2.gz ZEETVIIXWAOTSF-WBVHZDCISA-N 2 1 296.499 3.149 20 0 CGADMP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCS1 ZINC000903281964 621662248 /nfs/dbraw/zinc/66/22/48/621662248.db2.gz JILGBOPECRKXHY-WPXLMEDKSA-N 2 1 294.508 3.408 20 0 CGADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430763 621743906 /nfs/dbraw/zinc/74/39/06/621743906.db2.gz AJGXXNGDQAVBQN-ZBFHGGJFSA-N 2 1 264.388 3.165 20 0 CGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432574 621744117 /nfs/dbraw/zinc/74/41/17/621744117.db2.gz FJFDYWOCFQDGGL-QAPCUYQASA-N 2 1 282.431 3.442 20 0 CGADMP CCSc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000903450422 621760150 /nfs/dbraw/zinc/76/01/50/621760150.db2.gz VBRDGFUNTSWABW-UKRRQHHQSA-N 2 1 278.465 3.358 20 0 CGADMP CCSc1ccccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498610 621766142 /nfs/dbraw/zinc/76/61/42/621766142.db2.gz LMEQAVRQCRVTKW-ZIAGYGMSSA-N 2 1 278.465 3.215 20 0 CGADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498594 621766155 /nfs/dbraw/zinc/76/61/55/621766155.db2.gz LCHWZLUGVDKQRF-HUUCEWRRSA-N 2 1 289.467 3.184 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000903716953 621795452 /nfs/dbraw/zinc/79/54/52/621795452.db2.gz VYLLFOKKBKPRAK-LSDHHAIUSA-N 2 1 260.425 3.369 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903718589 621795987 /nfs/dbraw/zinc/79/59/87/621795987.db2.gz PFTJHPKMNLWVAF-QAPCUYQASA-N 2 1 288.435 3.222 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903728926 621796892 /nfs/dbraw/zinc/79/68/92/621796892.db2.gz HRROKXJDUCIUPD-ZOBUZTSGSA-N 2 1 294.483 3.044 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903728652 621797217 /nfs/dbraw/zinc/79/72/17/621797217.db2.gz DCIFJUQHOLVVFS-WBVHZDCISA-N 2 1 288.435 3.222 20 0 CGADMP CCC1(CC)CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766852 621804000 /nfs/dbraw/zinc/80/40/00/621804000.db2.gz SLOLXNTZYSIBNN-INIZCTEOSA-N 2 1 294.483 3.047 20 0 CGADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000903832309 621818817 /nfs/dbraw/zinc/81/88/17/621818817.db2.gz PXGYAZLYLPPJIU-ALOPSCKCSA-N 2 1 282.447 3.369 20 0 CGADMP C(C[N@H+]1CC[NH2+]CCC12CCOCC2)C1CCCCCC1 ZINC000903818306 621819516 /nfs/dbraw/zinc/81/95/16/621819516.db2.gz GDOFHJIZYJKHKR-UHFFFAOYSA-N 2 1 294.483 3.191 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000903890294 621823986 /nfs/dbraw/zinc/82/39/86/621823986.db2.gz BEVDEVAMRCOGTF-LSDHHAIUSA-N 2 1 282.378 3.239 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000903890294 621823991 /nfs/dbraw/zinc/82/39/91/621823991.db2.gz BEVDEVAMRCOGTF-LSDHHAIUSA-N 2 1 282.378 3.239 20 0 CGADMP Fc1cccc([C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000903891671 621824213 /nfs/dbraw/zinc/82/42/13/621824213.db2.gz NFODLLKPMVWXDR-ZJEIBCLVSA-N 2 1 288.410 3.146 20 0 CGADMP CC[C@H](C)[C@H](C)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903892584 621827706 /nfs/dbraw/zinc/82/77/06/621827706.db2.gz UZRTYEKYXOCJBM-MGLUKCQKSA-N 2 1 264.457 3.416 20 0 CGADMP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902982 621830411 /nfs/dbraw/zinc/83/04/11/621830411.db2.gz QDTYFMSOGOBGPT-RFLLOBDJSA-N 2 1 290.373 3.180 20 0 CGADMP c1cc(C[N@H+](CC2CC2)C2CCC2)c2c(c1)C[NH2+]CC2 ZINC000903908757 621831999 /nfs/dbraw/zinc/83/19/99/621831999.db2.gz PFNDXDLVNLWDMG-UHFFFAOYSA-N 2 1 270.420 3.097 20 0 CGADMP CC(C)([NH3+])CC[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000903938863 621833853 /nfs/dbraw/zinc/83/38/53/621833853.db2.gz NTTMNENYYSKZKV-UHFFFAOYSA-N 2 1 281.450 3.089 20 0 CGADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC(C)(C)C1 ZINC000903929946 621834609 /nfs/dbraw/zinc/83/46/09/621834609.db2.gz ORJUPSAOGXVTAH-AGUYFDCRSA-N 2 1 250.430 3.028 20 0 CGADMP C[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)CC12CCCCC2 ZINC000903916499 621836112 /nfs/dbraw/zinc/83/61/12/621836112.db2.gz SPJQWESUHSPUCZ-STQMWFEESA-N 2 1 274.399 3.261 20 0 CGADMP C[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC12CCCCC2 ZINC000903916499 621836114 /nfs/dbraw/zinc/83/61/14/621836114.db2.gz SPJQWESUHSPUCZ-STQMWFEESA-N 2 1 274.399 3.261 20 0 CGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904301244 621901799 /nfs/dbraw/zinc/90/17/99/621901799.db2.gz JFFNYWOSEATOJW-ZWKOTPCHSA-N 2 1 288.435 3.222 20 0 CGADMP CC[N@@H+](CCc1cccs1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904309342 621903199 /nfs/dbraw/zinc/90/31/99/621903199.db2.gz IEOALCVRXZRKAD-HNNXBMFYSA-N 2 1 266.454 3.002 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)C1 ZINC000904342117 621909489 /nfs/dbraw/zinc/90/94/89/621909489.db2.gz XTJAUJVFAFZQDU-UHOFOFEASA-N 2 1 262.372 3.090 20 0 CGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC000904346770 621910758 /nfs/dbraw/zinc/91/07/58/621910758.db2.gz XAPOVOXNMQGQBM-GRDNDAEWSA-N 2 1 276.399 3.133 20 0 CGADMP C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000904371762 621914411 /nfs/dbraw/zinc/91/44/11/621914411.db2.gz SRNSDWQNUUGBAH-PWSUYJOCSA-N 2 1 286.341 3.180 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000904371762 621914416 /nfs/dbraw/zinc/91/44/16/621914416.db2.gz SRNSDWQNUUGBAH-PWSUYJOCSA-N 2 1 286.341 3.180 20 0 CGADMP C[N@@H+](Cc1ccc(C(F)F)cc1)C1CCC([NH3+])CC1 ZINC000150300172 622496441 /nfs/dbraw/zinc/49/64/41/622496441.db2.gz NKDFCGMBMQTSQG-UHFFFAOYSA-N 2 1 268.351 3.326 20 0 CGADMP C[N@@H+](Cc1ccc(Cl)s1)C1CCC([NH3+])CC1 ZINC000055144525 622813801 /nfs/dbraw/zinc/81/38/01/622813801.db2.gz RMXHAOJCZYZFQR-UHFFFAOYSA-N 2 1 258.818 3.103 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCCSC)[C@H](C)C1 ZINC000156877536 622850013 /nfs/dbraw/zinc/85/00/13/622850013.db2.gz CPXIERZHNVAAEJ-HUUCEWRRSA-N 2 1 272.502 3.230 20 0 CGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCCCCC[NH3+] ZINC000062019081 623191794 /nfs/dbraw/zinc/19/17/94/623191794.db2.gz JNFHWOCGSCRIOA-CYBMUJFWSA-N 2 1 252.377 3.338 20 0 CGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000312975699 623623574 /nfs/dbraw/zinc/62/35/74/623623574.db2.gz VSUFATOFFNEOIM-CVEARBPZSA-N 2 1 282.472 3.187 20 0 CGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000312975699 623623579 /nfs/dbraw/zinc/62/35/79/623623579.db2.gz VSUFATOFFNEOIM-CVEARBPZSA-N 2 1 282.472 3.187 20 0 CGADMP C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000754142471 623815923 /nfs/dbraw/zinc/81/59/23/623815923.db2.gz GHNYNFSCJXFLAI-HUUCEWRRSA-N 2 1 287.451 3.285 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000771926034 625692551 /nfs/dbraw/zinc/69/25/51/625692551.db2.gz ABOFPQWEUDFUKK-UHFFFAOYSA-N 2 1 268.404 3.380 20 0 CGADMP c1ccc2c(c1)oc1ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc12 ZINC000917084772 624236916 /nfs/dbraw/zinc/23/69/16/624236916.db2.gz GEYHTLDUSXAOMJ-GASCZTMLSA-N 2 1 292.382 3.237 20 0 CGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCc2ccccc2)C1 ZINC000920181376 624453493 /nfs/dbraw/zinc/45/34/93/624453493.db2.gz UHHVKEZXOOINNG-INIZCTEOSA-N 2 1 274.452 3.329 20 0 CGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCc2ccccc2)C1 ZINC000920181376 624453494 /nfs/dbraw/zinc/45/34/94/624453494.db2.gz UHHVKEZXOOINNG-INIZCTEOSA-N 2 1 274.452 3.329 20 0 CGADMP COc1cccc2cc(C[NH2+]CCCn3cc[nH+]c3C)oc21 ZINC000069754275 624894473 /nfs/dbraw/zinc/89/44/73/624894473.db2.gz UTNSXCXKJMDRTR-UHFFFAOYSA-N 2 1 299.374 3.126 20 0 CGADMP C(C1CCC2(CC2)CC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281715 626142841 /nfs/dbraw/zinc/14/28/41/626142841.db2.gz OVQUHIGDTYNZHU-UHFFFAOYSA-N 2 1 262.441 3.173 20 0 CGADMP C[C@H](C1CC1)[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923306171 626144866 /nfs/dbraw/zinc/14/48/66/626144866.db2.gz RDLBXTPXFYPIRZ-WPXLMEDKSA-N 2 1 262.441 3.170 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@H+](C)CCC[NH2+]C1CC1)CCC2 ZINC000923372313 626149469 /nfs/dbraw/zinc/14/94/69/626149469.db2.gz ZYWSVIGAWYRGOI-CQSZACIVSA-N 2 1 293.480 3.157 20 0 CGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CCC[NH2+]C1CC1)CCC2 ZINC000923372313 626149471 /nfs/dbraw/zinc/14/94/71/626149471.db2.gz ZYWSVIGAWYRGOI-CQSZACIVSA-N 2 1 293.480 3.157 20 0 CGADMP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000923432790 626153840 /nfs/dbraw/zinc/15/38/40/626153840.db2.gz PWDLIBZHHONEJY-MRXNPFEDSA-N 2 1 286.419 3.165 20 0 CGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000923481347 626157211 /nfs/dbraw/zinc/15/72/11/626157211.db2.gz QOGBGBKBEGVITA-CYBMUJFWSA-N 2 1 296.842 3.298 20 0 CGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495386 626157974 /nfs/dbraw/zinc/15/79/74/626157974.db2.gz BNRBTSWKRYXKNG-WZRBSPASSA-N 2 1 284.806 3.457 20 0 CGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502310 626158412 /nfs/dbraw/zinc/15/84/12/626158412.db2.gz WIVYFMPJUPAWAJ-FMKPAKJESA-N 2 1 299.418 3.319 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923494055 626158474 /nfs/dbraw/zinc/15/84/74/626158474.db2.gz VMHPAQFRFOWWTR-YPMHNXCESA-N 2 1 286.341 3.122 20 0 CGADMP [NH3+]CC[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000923493620 626158493 /nfs/dbraw/zinc/15/84/93/626158493.db2.gz TZENAKAMPHKPNG-INIZCTEOSA-N 2 1 298.430 3.279 20 0 CGADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)on2)cc1 ZINC000923497669 626158649 /nfs/dbraw/zinc/15/86/49/626158649.db2.gz IOUKRLJZNGFHEH-GDBMZVCRSA-N 2 1 299.418 3.067 20 0 CGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)C1 ZINC000923526372 626161150 /nfs/dbraw/zinc/16/11/50/626161150.db2.gz PAFNXCRPCUCDFP-HQVFZAFPSA-N 2 1 270.420 3.292 20 0 CGADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923532159 626161640 /nfs/dbraw/zinc/16/16/40/626161640.db2.gz ZZDAQTOQXXWUJY-YCPHGPKFSA-N 2 1 278.465 3.273 20 0 CGADMP c1ccc(CC[N@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000923555691 626163725 /nfs/dbraw/zinc/16/37/25/626163725.db2.gz UHKOJHVBSHALHF-QGZVFWFLSA-N 2 1 272.436 3.083 20 0 CGADMP Cc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cnc1Cl ZINC000760654615 626983759 /nfs/dbraw/zinc/98/37/59/626983759.db2.gz FIEBIRYVOIZWAD-UHFFFAOYSA-N 2 1 295.858 3.442 20 0 CGADMP CCCCCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762650216 627119063 /nfs/dbraw/zinc/11/90/63/627119063.db2.gz QAMOGISHJNZONU-DLBZAZTESA-N 2 1 284.488 3.436 20 0 CGADMP CCCCCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762650216 627119068 /nfs/dbraw/zinc/11/90/68/627119068.db2.gz QAMOGISHJNZONU-DLBZAZTESA-N 2 1 284.488 3.436 20 0 CGADMP C[C@@H]1C[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CC[N@H+]1C ZINC000764591636 627213908 /nfs/dbraw/zinc/21/39/08/627213908.db2.gz XUVOTYRODPLMBH-IXRCJPEJSA-N 2 1 276.468 3.275 20 0 CGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765974436 627283233 /nfs/dbraw/zinc/28/32/33/627283233.db2.gz HJTDXMQCMWUMEX-RYQLBKOJSA-N 2 1 296.499 3.434 20 0 CGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000766213397 627303621 /nfs/dbraw/zinc/30/36/21/627303621.db2.gz GFVYHLJSRGBVFF-PVAVHDDUSA-N 2 1 294.483 3.044 20 0 CGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)[C@@H](C)C1 ZINC000766258266 627307007 /nfs/dbraw/zinc/30/70/07/627307007.db2.gz HABLOBZOBANVCM-ZLIFDBKOSA-N 2 1 292.854 3.127 20 0 CGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC(C(F)F)C2)C1 ZINC000768676994 627492133 /nfs/dbraw/zinc/49/21/33/627492133.db2.gz GHBQOYPPLDXNRV-HSBZDZAISA-N 2 1 274.399 3.132 20 0 CGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC000768919801 627509231 /nfs/dbraw/zinc/50/92/31/627509231.db2.gz GPIQSVKGYBRJBK-UHFFFAOYSA-N 2 1 288.435 3.023 20 0 CGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC000768919801 627509234 /nfs/dbraw/zinc/50/92/34/627509234.db2.gz GPIQSVKGYBRJBK-UHFFFAOYSA-N 2 1 288.435 3.023 20 0 CGADMP CCc1noc(C)c1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000769872654 627585434 /nfs/dbraw/zinc/58/54/34/627585434.db2.gz HHVTYNCLIQKXCI-GFCCVEGCSA-N 2 1 290.411 3.181 20 0 CGADMP C[C@H](C[NH2+]Cc1nccc2ccccc21)C[NH+]1CCCC1 ZINC000776024787 628159158 /nfs/dbraw/zinc/15/91/58/628159158.db2.gz VOZHODHBIUHXNY-OAHLLOKOSA-N 2 1 283.419 3.056 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)nc21)C[NH+]1CCCC1 ZINC000788549437 629064325 /nfs/dbraw/zinc/06/43/25/629064325.db2.gz WKDUSYWLBDPQPF-TZMCWYRMSA-N 2 1 293.842 3.044 20 0 CGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@]2(C)CCCS2)cc1 ZINC000862367165 629354568 /nfs/dbraw/zinc/35/45/68/629354568.db2.gz XWDHFUUKNZTTLV-QGZVFWFLSA-N 2 1 292.492 3.466 20 0 CGADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863654308 629633516 /nfs/dbraw/zinc/63/35/16/629633516.db2.gz WHQJOROFHVCJGD-HIFRSBDPSA-N 2 1 266.816 3.290 20 0 CGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)C12CCC2 ZINC000864055516 629751019 /nfs/dbraw/zinc/75/10/19/629751019.db2.gz RLLIPLGBCNPMDR-ZJUUUORDSA-N 2 1 290.354 3.126 20 0 CGADMP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000796774429 629831314 /nfs/dbraw/zinc/83/13/14/629831314.db2.gz FEZJMMYXNCKVSQ-IAOVAPTHSA-N 2 1 276.399 3.097 20 0 CGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002693 630013779 /nfs/dbraw/zinc/01/37/79/630013779.db2.gz PGFDHNONXVEICG-RYRKJORJSA-N 2 1 294.483 3.188 20 0 CGADMP CSC1(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000809738898 630795319 /nfs/dbraw/zinc/79/53/19/630795319.db2.gz OJXWHHFQLIVKQC-UHFFFAOYSA-N 2 1 278.465 3.076 20 0 CGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000815560531 631795564 /nfs/dbraw/zinc/79/55/64/631795564.db2.gz JQBNIYMRXLWMKF-BPUTZDHNSA-N 2 1 276.399 3.412 20 0 CGADMP CC(C)(O)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817925362 632235026 /nfs/dbraw/zinc/23/50/26/632235026.db2.gz VJGRURLZJIHJLD-QZTJIDSGSA-N 2 1 296.414 3.148 20 0 CGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000817957773 632252493 /nfs/dbraw/zinc/25/24/93/632252493.db2.gz DTAHWTNZLRJVND-QKPAOTATSA-N 2 1 252.446 3.308 20 0 CGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817979924 632270774 /nfs/dbraw/zinc/27/07/74/632270774.db2.gz QDJNARIWIJFYGW-GXSJLCMTSA-N 2 1 274.380 3.389 20 0 CGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccnc(Cl)c1 ZINC000817987186 632275911 /nfs/dbraw/zinc/27/59/11/632275911.db2.gz XLOLMSAIQAKTCW-YPMHNXCESA-N 2 1 279.815 3.060 20 0 CGADMP CC(C)C[N@@H+](CC[C@H]1CCCCO1)CC1CC[NH+](C)CC1 ZINC000879703953 635839415 /nfs/dbraw/zinc/83/94/15/635839415.db2.gz HCYXKPVGAOJDGH-GOSISDBHSA-N 2 1 296.499 3.245 20 0 CGADMP C([NH2+]C1CCSCC1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865805046 632894589 /nfs/dbraw/zinc/89/45/89/632894589.db2.gz OZAVENJBMPWEEA-INIZCTEOSA-N 2 1 282.497 3.269 20 0 CGADMP C([NH2+]C1CCSCC1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000865805046 632894594 /nfs/dbraw/zinc/89/45/94/632894594.db2.gz OZAVENJBMPWEEA-INIZCTEOSA-N 2 1 282.497 3.269 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000865850872 632916049 /nfs/dbraw/zinc/91/60/49/632916049.db2.gz BRXIEAWLFYCSTI-GXTWGEPZSA-N 2 1 287.407 3.351 20 0 CGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000865850872 632916056 /nfs/dbraw/zinc/91/60/56/632916056.db2.gz BRXIEAWLFYCSTI-GXTWGEPZSA-N 2 1 287.407 3.351 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822654924 633000194 /nfs/dbraw/zinc/00/01/94/633000194.db2.gz UMQCKZSWYYMXLN-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822654924 633000197 /nfs/dbraw/zinc/00/01/97/633000197.db2.gz UMQCKZSWYYMXLN-CHWSQXEVSA-N 2 1 293.282 3.234 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CC2(Cl)Cl)C[C@@H]1C ZINC000822664551 633001993 /nfs/dbraw/zinc/00/19/93/633001993.db2.gz TXJCNBOYUBVRHI-AVGNSLFASA-N 2 1 293.282 3.375 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CC2(Cl)Cl)C[C@@H]1C ZINC000822664551 633001999 /nfs/dbraw/zinc/00/19/99/633001999.db2.gz TXJCNBOYUBVRHI-AVGNSLFASA-N 2 1 293.282 3.375 20 0 CGADMP Cn1c2ccccc2[nH+]c1NC1CCC(C)([NH+](C)C)CC1 ZINC000866148571 633012945 /nfs/dbraw/zinc/01/29/45/633012945.db2.gz ISOBEOJHLKUWTK-UHFFFAOYSA-N 2 1 286.423 3.248 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866365221 633104032 /nfs/dbraw/zinc/10/40/32/633104032.db2.gz QYUWHMCVGWRGCH-CVEARBPZSA-N 2 1 277.456 3.113 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866365221 633104033 /nfs/dbraw/zinc/10/40/33/633104033.db2.gz QYUWHMCVGWRGCH-CVEARBPZSA-N 2 1 277.456 3.113 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccn1 ZINC000866397669 633122604 /nfs/dbraw/zinc/12/26/04/633122604.db2.gz IOTBOCDNQIUDFE-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccn1 ZINC000866397669 633122609 /nfs/dbraw/zinc/12/26/09/633122609.db2.gz IOTBOCDNQIUDFE-RDJZCZTQSA-N 2 1 275.440 3.100 20 0 CGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(F)(F)F ZINC000866505512 633166294 /nfs/dbraw/zinc/16/62/94/633166294.db2.gz NPTDAXIBTMWOKY-NEPJUHHUSA-N 2 1 280.378 3.427 20 0 CGADMP C[NH+](C)C1(C)CCC([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000866515449 633170050 /nfs/dbraw/zinc/17/00/50/633170050.db2.gz CBIUOEZUGRXHAD-UHFFFAOYSA-N 2 1 295.515 3.102 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)[C@H]2CCC[C@H]21 ZINC000866544647 633186277 /nfs/dbraw/zinc/18/62/77/633186277.db2.gz XYAPFTXXCMZYLQ-FRRDWIJNSA-N 2 1 274.399 3.130 20 0 CGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2F)C1 ZINC000866703869 633234679 /nfs/dbraw/zinc/23/46/79/633234679.db2.gz PINREPWJFVRCQV-INIZCTEOSA-N 2 1 264.388 3.023 20 0 CGADMP C[C@]1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1(Cl)Cl ZINC000824968166 633312151 /nfs/dbraw/zinc/31/21/51/633312151.db2.gz AYAHXBLFRFFKML-AGIUHOORSA-N 2 1 291.266 3.177 20 0 CGADMP CC(C)C[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829444021 633734288 /nfs/dbraw/zinc/73/42/88/633734288.db2.gz QFEOWNFZICQTAI-OAHLLOKOSA-N 2 1 252.446 3.229 20 0 CGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000872020718 633940912 /nfs/dbraw/zinc/94/09/12/633940912.db2.gz JQZFJTXJXIKFRF-DLBZAZTESA-N 2 1 296.499 3.434 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000872024217 633945151 /nfs/dbraw/zinc/94/51/51/633945151.db2.gz YUDVFIMMLIRDHM-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000872024217 633945154 /nfs/dbraw/zinc/94/51/54/633945154.db2.gz YUDVFIMMLIRDHM-BRWVUGGUSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@H]1CCCOC1 ZINC000872026775 633946433 /nfs/dbraw/zinc/94/64/33/633946433.db2.gz FSDZVVVMHLKJSC-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@H]1CCCOC1 ZINC000872026775 633946438 /nfs/dbraw/zinc/94/64/38/633946438.db2.gz FSDZVVVMHLKJSC-RDJZCZTQSA-N 2 1 282.472 3.046 20 0 CGADMP CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000872032553 633952040 /nfs/dbraw/zinc/95/20/40/633952040.db2.gz WBPQAXGTVVFOBH-NWDGAFQWSA-N 2 1 268.367 3.427 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000872072192 633993686 /nfs/dbraw/zinc/99/36/86/633993686.db2.gz BEYXDPPCIQLHIQ-RYUDHWBXSA-N 2 1 268.367 3.426 20 0 CGADMP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000872072192 633993688 /nfs/dbraw/zinc/99/36/88/633993688.db2.gz BEYXDPPCIQLHIQ-RYUDHWBXSA-N 2 1 268.367 3.426 20 0 CGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155329 634065545 /nfs/dbraw/zinc/06/55/45/634065545.db2.gz IJMRQLJLXKFQHZ-ZDUSSCGKSA-N 2 1 281.444 3.484 20 0 CGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C(F)(F)F ZINC000872150252 634066677 /nfs/dbraw/zinc/06/66/77/634066677.db2.gz UZKDEPHHEOAEKP-CABCVRRESA-N 2 1 298.352 3.133 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C(F)(F)F ZINC000872150252 634066681 /nfs/dbraw/zinc/06/66/81/634066681.db2.gz UZKDEPHHEOAEKP-CABCVRRESA-N 2 1 298.352 3.133 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)CC[N@H+]1C ZINC000834891902 634269715 /nfs/dbraw/zinc/26/97/15/634269715.db2.gz JWPHXDMUYZXPPQ-GRYCIOLGSA-N 2 1 279.255 3.033 20 0 CGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2nc(Cl)ccc21)C1CC1 ZINC000834907803 634283078 /nfs/dbraw/zinc/28/30/78/634283078.db2.gz CRCMVXKJVGSSMF-CQSZACIVSA-N 2 1 293.842 3.186 20 0 CGADMP C[C@H](Cc1cccc(F)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834911169 634285639 /nfs/dbraw/zinc/28/56/39/634285639.db2.gz YKHBBJKOLXIONU-CQSZACIVSA-N 2 1 278.415 3.221 20 0 CGADMP c1c(C[N@H+](CC2CC2)C2CCC2)sc2c1C[NH2+]CC2 ZINC000873208955 634286734 /nfs/dbraw/zinc/28/67/34/634286734.db2.gz ZDRRJDIRSSJFPL-UHFFFAOYSA-N 2 1 276.449 3.158 20 0 CGADMP CC(C)c1ncc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223426 634291158 /nfs/dbraw/zinc/29/11/58/634291158.db2.gz MTPJYLNUIVDCKA-MRXNPFEDSA-N 2 1 295.496 3.463 20 0 CGADMP CC(C)c1ncc(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000873231588 634294674 /nfs/dbraw/zinc/29/46/74/634294674.db2.gz QGUSPYHZUZFBIJ-UHFFFAOYSA-N 2 1 269.458 3.217 20 0 CGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)cc1 ZINC000019912852 634375586 /nfs/dbraw/zinc/37/55/86/634375586.db2.gz XQKRREVFTSGBCX-AWEZNQCLSA-N 2 1 264.388 3.180 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)cc1 ZINC000019912852 634375591 /nfs/dbraw/zinc/37/55/91/634375591.db2.gz XQKRREVFTSGBCX-AWEZNQCLSA-N 2 1 264.388 3.180 20 0 CGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000876731460 634888243 /nfs/dbraw/zinc/88/82/43/634888243.db2.gz RCGUJFOTCPEVPE-ZDUSSCGKSA-N 2 1 266.816 3.032 20 0 CGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000876731460 634888248 /nfs/dbraw/zinc/88/82/48/634888248.db2.gz RCGUJFOTCPEVPE-ZDUSSCGKSA-N 2 1 266.816 3.032 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)SC)C[C@H]1C ZINC000876760090 634894276 /nfs/dbraw/zinc/89/42/76/634894276.db2.gz RZMJHHLDEWETOQ-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)SC)C[C@H]1C ZINC000876760090 634894280 /nfs/dbraw/zinc/89/42/80/634894280.db2.gz RZMJHHLDEWETOQ-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)SC)C[C@H]1C ZINC000876760090 634894284 /nfs/dbraw/zinc/89/42/84/634894284.db2.gz RZMJHHLDEWETOQ-KGLIPLIRSA-N 2 1 272.502 3.323 20 0 CGADMP CSC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000876811977 634905114 /nfs/dbraw/zinc/90/51/14/634905114.db2.gz PCBHYHVYZHLCHJ-GOEBONIOSA-N 2 1 296.524 3.467 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000876811977 634905117 /nfs/dbraw/zinc/90/51/17/634905117.db2.gz PCBHYHVYZHLCHJ-GOEBONIOSA-N 2 1 296.524 3.467 20 0 CGADMP CSC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876811977 634905120 /nfs/dbraw/zinc/90/51/20/634905120.db2.gz PCBHYHVYZHLCHJ-GOEBONIOSA-N 2 1 296.524 3.467 20 0 CGADMP Clc1nccc2oc(C[NH2+]CCC[NH+]3CCCC3)cc21 ZINC000877143460 635001116 /nfs/dbraw/zinc/00/11/16/635001116.db2.gz PDUUOGFLNUHMPX-UHFFFAOYSA-N 2 1 293.798 3.057 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000840809575 635056110 /nfs/dbraw/zinc/05/61/10/635056110.db2.gz TXCNDYZDPIKCJW-HOTGVXAUSA-N 2 1 290.451 3.468 20 0 CGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878047412 635337448 /nfs/dbraw/zinc/33/74/48/635337448.db2.gz GTKMABGIYFQTRA-QGZVFWFLSA-N 2 1 296.499 3.386 20 0 CGADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccc(F)cc1F ZINC000842471461 635375574 /nfs/dbraw/zinc/37/55/74/635375574.db2.gz CFXYXKPZGAHVNR-UHFFFAOYSA-N 2 1 270.367 3.306 20 0 CGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878148885 635380113 /nfs/dbraw/zinc/38/01/13/635380113.db2.gz RVGZFPZKJIDCEL-LSDHHAIUSA-N 2 1 288.426 3.476 20 0 CGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCSC(C)(C)C)C1 ZINC000878166931 635391531 /nfs/dbraw/zinc/39/15/31/635391531.db2.gz KCFSVWVFZGXKLP-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878166931 635391535 /nfs/dbraw/zinc/39/15/35/635391535.db2.gz KCFSVWVFZGXKLP-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCSC(C)(C)C)C1 ZINC000878166931 635391541 /nfs/dbraw/zinc/39/15/41/635391541.db2.gz KCFSVWVFZGXKLP-CQSZACIVSA-N 2 1 272.502 3.182 20 0 CGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC[C@H]3CCCC3(F)F)CC[C@H]21 ZINC000878197298 635408281 /nfs/dbraw/zinc/40/82/81/635408281.db2.gz NDADHTRYRLKXNP-RBSFLKMASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)CC[C@H]21 ZINC000878197298 635408289 /nfs/dbraw/zinc/40/82/89/635408289.db2.gz NDADHTRYRLKXNP-RBSFLKMASA-N 2 1 286.410 3.228 20 0 CGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)CC[C@H]21 ZINC000878197298 635408295 /nfs/dbraw/zinc/40/82/95/635408295.db2.gz NDADHTRYRLKXNP-RBSFLKMASA-N 2 1 286.410 3.228 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)CC[C@H]1CCCC1(F)F ZINC000878549868 635553234 /nfs/dbraw/zinc/55/32/34/635553234.db2.gz LQAZPZFOJMBZAI-CQSZACIVSA-N 2 1 274.399 3.230 20 0 CGADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c(Cl)c1 ZINC000843055524 635553449 /nfs/dbraw/zinc/55/34/49/635553449.db2.gz FKTRLUHVICDBNY-UHFFFAOYSA-N 2 1 282.815 3.050 20 0 CGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3scnc3Cl)C2)CC1 ZINC000878550344 635554261 /nfs/dbraw/zinc/55/42/61/635554261.db2.gz ZRZUMRKBCBQCJD-UHFFFAOYSA-N 2 1 299.871 3.104 20 0 CGADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)OC1CCCCCC1 ZINC000843362516 635653839 /nfs/dbraw/zinc/65/38/39/635653839.db2.gz AWHKCVNKFYCLIV-FUHWJXTLSA-N 2 1 294.483 3.190 20 0 CGADMP [NH3+]CCCCCCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000844221550 635833084 /nfs/dbraw/zinc/83/30/84/635833084.db2.gz FUZPQLZYPZJBSJ-UHFFFAOYSA-N 2 1 289.467 3.108 20 0 CGADMP CC(C)C[N@@H+](CCC1CC1)CC1CC[NH+](C)CC1 ZINC000879704289 635838733 /nfs/dbraw/zinc/83/87/33/635838733.db2.gz NPTBYKWWNUPVLJ-UHFFFAOYSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCOC(F)(F)F ZINC000880517006 636013675 /nfs/dbraw/zinc/01/36/75/636013675.db2.gz HWSNPORAPSYJOG-UHFFFAOYSA-N 2 1 296.377 3.111 20 0 CGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])C1 ZINC000846219280 636161887 /nfs/dbraw/zinc/16/18/87/636161887.db2.gz MYFMJEGTMXXODK-ZIAGYGMSSA-N 2 1 258.475 3.112 20 0 CGADMP CCc1ccc([C@@H]2C[N@@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000846221514 636163521 /nfs/dbraw/zinc/16/35/21/636163521.db2.gz ZKBPIUSLYJPTEJ-SFHVURJKSA-N 2 1 290.451 3.141 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nc2ccccc2s1 ZINC000848718193 636640191 /nfs/dbraw/zinc/64/01/91/636640191.db2.gz ZDPQTGCUOWJKLK-SDDRHHMPSA-N 2 1 275.421 3.217 20 0 CGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nc2ccccc2s1 ZINC000848718191 636640858 /nfs/dbraw/zinc/64/08/58/636640858.db2.gz ZDPQTGCUOWJKLK-QJPTWQEYSA-N 2 1 275.421 3.217 20 0 CGADMP Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(Cl)n1 ZINC000883301890 636656737 /nfs/dbraw/zinc/65/67/37/636656737.db2.gz LAIVDFODLKDSPL-KFWWJZLASA-N 2 1 293.842 3.006 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(Cl)n1 ZINC000883301890 636656742 /nfs/dbraw/zinc/65/67/42/636656742.db2.gz LAIVDFODLKDSPL-KFWWJZLASA-N 2 1 293.842 3.006 20 0 CGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(Cl)n1 ZINC000883301890 636656746 /nfs/dbraw/zinc/65/67/46/636656746.db2.gz LAIVDFODLKDSPL-KFWWJZLASA-N 2 1 293.842 3.006 20 0 CGADMP CC(C)CNc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883345402 636690660 /nfs/dbraw/zinc/69/06/60/636690660.db2.gz BMAMONSEHDWOBR-KRWDZBQOSA-N 2 1 273.424 3.039 20 0 CGADMP CCCCCCNC(=[NH2+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000849062145 636735649 /nfs/dbraw/zinc/73/56/49/636735649.db2.gz OZVBNZGWEFPYCT-IYBDPMFKSA-N 2 1 296.503 3.049 20 0 CGADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)C1CCC([NH3+])CC1 ZINC000883417982 636748569 /nfs/dbraw/zinc/74/85/69/636748569.db2.gz SZUCORTXRDXQQD-HIFPTAJRSA-N 2 1 260.372 3.014 20 0 CGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883428586 636752255 /nfs/dbraw/zinc/75/22/55/636752255.db2.gz XWIXFKUKEOQETM-OLZOCXBDSA-N 2 1 260.372 3.015 20 0 CGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885954017 637328741 /nfs/dbraw/zinc/32/87/41/637328741.db2.gz LICBHEZCJCFVLK-DQOPKJQZSA-N 2 1 276.399 3.159 20 0 CGADMP CC[N@H+](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000885963604 637335015 /nfs/dbraw/zinc/33/50/15/637335015.db2.gz ONEWHHPLRSZYDU-INIZCTEOSA-N 2 1 282.472 3.188 20 0 CGADMP CC[N@@H+](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000885963604 637335019 /nfs/dbraw/zinc/33/50/19/637335019.db2.gz ONEWHHPLRSZYDU-INIZCTEOSA-N 2 1 282.472 3.188 20 0 CGADMP Cc1coc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000886059316 637393763 /nfs/dbraw/zinc/39/37/63/637393763.db2.gz AEJBTJHWYFRWRH-HUUCEWRRSA-N 2 1 276.424 3.331 20 0 CGADMP Cc1coc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000886059316 637393769 /nfs/dbraw/zinc/39/37/69/637393769.db2.gz AEJBTJHWYFRWRH-HUUCEWRRSA-N 2 1 276.424 3.331 20 0 CGADMP CSCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300418763 637838575 /nfs/dbraw/zinc/83/85/75/637838575.db2.gz BPMBKGRAWKQOST-GJZGRUSLSA-N 2 1 270.486 3.126 20 0 CGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000854229436 638028582 /nfs/dbraw/zinc/02/85/82/638028582.db2.gz NPUYGZDALDQZEP-LTCOOKNTSA-N 2 1 288.435 3.065 20 0 CGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924526824 638350155 /nfs/dbraw/zinc/35/01/55/638350155.db2.gz HFBFRELJCRZLEF-MRXNPFEDSA-N 3 1 291.483 3.131 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667263 638385037 /nfs/dbraw/zinc/38/50/37/638385037.db2.gz KRXMJOVEUSAYOU-FVPDABNVSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[N@H+]1CCC[C@@H](C)C1 ZINC000924667263 638385038 /nfs/dbraw/zinc/38/50/38/638385038.db2.gz KRXMJOVEUSAYOU-FVPDABNVSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H](Cc1ccccn1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000924685392 638387989 /nfs/dbraw/zinc/38/79/89/638387989.db2.gz IPAPKGSKQZZABU-IRXDYDNUSA-N 2 1 289.467 3.257 20 0 CGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924765277 638400544 /nfs/dbraw/zinc/40/05/44/638400544.db2.gz KRCZJUCQTLFZSX-FVPDABNVSA-N 2 1 282.497 3.123 20 0 CGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924765277 638400551 /nfs/dbraw/zinc/40/05/51/638400551.db2.gz KRCZJUCQTLFZSX-FVPDABNVSA-N 2 1 282.497 3.123 20 0 CGADMP C[N@H+](CC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C1CCCCC1 ZINC000924802875 638407388 /nfs/dbraw/zinc/40/73/88/638407388.db2.gz OZKGKNCINFGOAL-AEFFLSMTSA-N 2 1 294.483 3.046 20 0 CGADMP C[N@@H+](CC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C1CCCCC1 ZINC000924802875 638407390 /nfs/dbraw/zinc/40/73/90/638407390.db2.gz OZKGKNCINFGOAL-AEFFLSMTSA-N 2 1 294.483 3.046 20 0 CGADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(F)(F)c1ccccc1 ZINC000924965775 638432369 /nfs/dbraw/zinc/43/23/69/638432369.db2.gz YSWCZDADPIMWFU-CYBMUJFWSA-N 2 1 282.378 3.098 20 0 CGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@H]2CCC[C@H]21 ZINC000857080651 638454077 /nfs/dbraw/zinc/45/40/77/638454077.db2.gz KBGASCHNPRYWSW-FVCCEPFGSA-N 2 1 291.266 3.033 20 0 CGADMP CSCC1(CC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925705052 638573463 /nfs/dbraw/zinc/57/34/63/638573463.db2.gz IXAFCIXOFDHTSN-ZFWWWQNUSA-N 2 1 278.465 3.198 20 0 CGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)C12CCC2 ZINC000925719129 638579322 /nfs/dbraw/zinc/57/93/22/638579322.db2.gz OWDSSOOGKMCABT-VHSXEESVSA-N 2 1 290.354 3.126 20 0 CGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751911 638597267 /nfs/dbraw/zinc/59/72/67/638597267.db2.gz QXORWNBNBOGTHT-BZPMIXESSA-N 2 1 293.480 3.175 20 0 CGADMP CCSc1ccccc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925835036 638626742 /nfs/dbraw/zinc/62/67/42/638626742.db2.gz LKKIWVCHFGYJHJ-INIZCTEOSA-N 2 1 290.476 3.215 20 0 CGADMP C[C@@H]1Cc2cc(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)ccc2O1 ZINC000925834020 638627314 /nfs/dbraw/zinc/62/73/14/638627314.db2.gz UMOJLTDQTTUUMG-UUWFMWQGSA-N 2 1 294.398 3.244 20 0 CGADMP CC(C)[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(F)cn1 ZINC000925847094 638630837 /nfs/dbraw/zinc/63/08/37/638630837.db2.gz SMZLVZWEIQMMCO-BRWVUGGUSA-N 2 1 291.414 3.040 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707680 638801946 /nfs/dbraw/zinc/80/19/46/638801946.db2.gz SCZXKZBDKVCLGS-BPQIPLTHSA-N 2 1 294.483 3.044 20 0 CGADMP CC(C)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707680 638801948 /nfs/dbraw/zinc/80/19/48/638801948.db2.gz SCZXKZBDKVCLGS-BPQIPLTHSA-N 2 1 294.483 3.044 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926807014 638814262 /nfs/dbraw/zinc/81/42/62/638814262.db2.gz JZEAEKPOJJNNAT-DJIMGWMZSA-N 2 1 288.435 3.363 20 0 CGADMP COc1ccccc1[C@@H](C)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926807014 638814264 /nfs/dbraw/zinc/81/42/64/638814264.db2.gz JZEAEKPOJJNNAT-DJIMGWMZSA-N 2 1 288.435 3.363 20 0 CGADMP COC/C(C)=C/CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000929644300 638937181 /nfs/dbraw/zinc/93/71/81/638937181.db2.gz PDCSFNKMKHEACJ-NZNBCCPUSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C/C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000929644300 638937183 /nfs/dbraw/zinc/93/71/83/638937183.db2.gz PDCSFNKMKHEACJ-NZNBCCPUSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C/C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000929644300 638937184 /nfs/dbraw/zinc/93/71/84/638937184.db2.gz PDCSFNKMKHEACJ-NZNBCCPUSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C/C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000929644300 638937186 /nfs/dbraw/zinc/93/71/86/638937186.db2.gz PDCSFNKMKHEACJ-NZNBCCPUSA-N 2 1 294.483 3.166 20 0 CGADMP COC/C(C)=C/C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000929644300 638937187 /nfs/dbraw/zinc/93/71/87/638937187.db2.gz PDCSFNKMKHEACJ-NZNBCCPUSA-N 2 1 294.483 3.166 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(OC)c2C)C1 ZINC000929749745 638946981 /nfs/dbraw/zinc/94/69/81/638946981.db2.gz RLIUIGZJUCKQGZ-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2C)C1 ZINC000929749745 638946983 /nfs/dbraw/zinc/94/69/83/638946983.db2.gz RLIUIGZJUCKQGZ-MRXNPFEDSA-N 2 1 290.451 3.167 20 0 CGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2C)C[C@@H]1C ZINC000929779112 638950670 /nfs/dbraw/zinc/95/06/70/638950670.db2.gz DMOPAIVAACOLEF-YOEHRIQHSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2C)C[C@@H]1C ZINC000929779112 638950671 /nfs/dbraw/zinc/95/06/71/638950671.db2.gz DMOPAIVAACOLEF-YOEHRIQHSA-N 2 1 290.451 3.308 20 0 CGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2C)C[C@@H]1C ZINC000929779112 638950672 /nfs/dbraw/zinc/95/06/72/638950672.db2.gz DMOPAIVAACOLEF-YOEHRIQHSA-N 2 1 290.451 3.308 20 0 CGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2CF)C[C@@H]1C ZINC000929783219 638950971 /nfs/dbraw/zinc/95/09/71/638950971.db2.gz ZDGDVTKWCCJMLV-WMLDXEAASA-N 2 1 278.415 3.461 20 0 CGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2CF)C[C@@H]1C ZINC000929783219 638950972 /nfs/dbraw/zinc/95/09/72/638950972.db2.gz ZDGDVTKWCCJMLV-WMLDXEAASA-N 2 1 278.415 3.461 20 0 CGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2CF)C[C@@H]1C ZINC000929783219 638950973 /nfs/dbraw/zinc/95/09/73/638950973.db2.gz ZDGDVTKWCCJMLV-WMLDXEAASA-N 2 1 278.415 3.461 20 0 CGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCOC2CC2)CC1 ZINC000929840073 638956454 /nfs/dbraw/zinc/95/64/54/638956454.db2.gz BEMLCLJGTVVKTE-INIZCTEOSA-N 2 1 294.483 3.142 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437263 639148609 /nfs/dbraw/zinc/14/86/09/639148609.db2.gz BBJCPAFNSRIICQ-AHIWAGSCSA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437263 639148612 /nfs/dbraw/zinc/14/86/12/639148612.db2.gz BBJCPAFNSRIICQ-AHIWAGSCSA-N 2 1 294.389 3.299 20 0 CGADMP CC[C@@H](c1ccc(F)cc1F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437263 639148618 /nfs/dbraw/zinc/14/86/18/639148618.db2.gz BBJCPAFNSRIICQ-AHIWAGSCSA-N 2 1 294.389 3.299 20 0 CGADMP CCC1([NH+]2CCCCC2)CC[NH+](C/C=C(/C)COC)CC1 ZINC000931685192 639188674 /nfs/dbraw/zinc/18/86/74/639188674.db2.gz DNANSHVRLDLYCP-IUXPMGMMSA-N 2 1 294.483 3.310 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCCO)C1 ZINC000246771810 640692802 /nfs/dbraw/zinc/69/28/02/640692802.db2.gz YWBBWQSXGMDZLV-MSOLQXFVSA-N 2 1 296.499 3.126 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000246771810 640692808 /nfs/dbraw/zinc/69/28/08/640692808.db2.gz YWBBWQSXGMDZLV-MSOLQXFVSA-N 2 1 296.499 3.126 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000246771810 640692815 /nfs/dbraw/zinc/69/28/15/640692815.db2.gz YWBBWQSXGMDZLV-MSOLQXFVSA-N 2 1 296.499 3.126 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)o1 ZINC000093563990 640775556 /nfs/dbraw/zinc/77/55/56/640775556.db2.gz YRANQEHBDXUDNH-KRWDZBQOSA-N 2 1 276.424 3.347 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)o1 ZINC000093563990 640775559 /nfs/dbraw/zinc/77/55/59/640775559.db2.gz YRANQEHBDXUDNH-KRWDZBQOSA-N 2 1 276.424 3.347 20 0 CGADMP C(CC1CCCCC1)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415134047 640859132 /nfs/dbraw/zinc/85/91/32/640859132.db2.gz DITJNGMOIQKTGM-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C(CC1CCCCC1)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415134047 640859135 /nfs/dbraw/zinc/85/91/35/640859135.db2.gz DITJNGMOIQKTGM-INIZCTEOSA-N 2 1 250.430 3.175 20 0 CGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000415142062 640860007 /nfs/dbraw/zinc/86/00/07/640860007.db2.gz QRCSPVFMABHWBJ-FHWLQOOXSA-N 2 1 284.447 3.325 20 0 CGADMP CC[NH+](CC)C1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC001165052810 722002248 /nfs/dbraw/zinc/00/22/48/722002248.db2.gz FSIDDXUPLRDYBY-UHFFFAOYSA-N 2 1 287.451 3.271 20 0 CGADMP Cc1c[nH+]c(N2C(C)(C)CC([NH3+])CC2(C)C)c(C)c1 ZINC001156773812 805733457 /nfs/dbraw/zinc/73/34/57/805733457.db2.gz JQSLLUMOEGNENX-UHFFFAOYSA-N 2 1 261.413 3.183 20 0 CGADMP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c([nH+]1)CCC2 ZINC001156771623 805733171 /nfs/dbraw/zinc/73/31/71/805733171.db2.gz XKRDZZDFJUNUBA-UHFFFAOYSA-N 2 1 273.424 3.055 20 0 CGADMP Cc1[nH+]ccn1-c1ccc(NC=CC2CC[NH2+]CC2)cc1 ZINC001159509622 806115086 /nfs/dbraw/zinc/11/50/86/806115086.db2.gz NMIXHSWFJQAGGW-DHZHZOJOSA-N 2 1 282.391 3.106 20 0 CGADMP c1cc([NH+]2CCCCCC2)ccc1NC1=CC[NH2+]CC1 ZINC001159542678 806119960 /nfs/dbraw/zinc/11/99/60/806119960.db2.gz UPXYNZKJLYRVJF-UHFFFAOYSA-N 2 1 271.408 3.356 20 0 CGADMP CC[NH+](CC)c1ccc(NC2=CC[NH2+]CC2)c(C)c1 ZINC001159655860 806141860 /nfs/dbraw/zinc/14/18/60/806141860.db2.gz ILVGPKZBGFJEJJ-UHFFFAOYSA-N 2 1 259.397 3.130 20 0 CGADMP Cc1cc([NH+]2CCCCC2)ccc1NC1=CCC[NH2+]C1 ZINC001159818375 806179221 /nfs/dbraw/zinc/17/92/21/806179221.db2.gz OAMRZQZXKWYCBQ-UHFFFAOYSA-N 2 1 271.408 3.274 20 0 CGADMP Cc1cc(C)[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001160466628 806275310 /nfs/dbraw/zinc/27/53/10/806275310.db2.gz SZCIEKMKNQTVLB-QKDCVEJESA-N 2 1 259.397 3.126 20 0 CGADMP CC(C)Oc1cc[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001160473281 806276708 /nfs/dbraw/zinc/27/67/08/806276708.db2.gz UXWAOERXEAFGFA-QKDCVEJESA-N 2 1 289.423 3.296 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3occc3c2)CC1 ZINC001254501762 806422583 /nfs/dbraw/zinc/42/25/83/806422583.db2.gz XJMSHBZFJQWAGN-OAHLLOKOSA-N 2 1 258.365 3.007 20 0 CGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC001254509388 806430958 /nfs/dbraw/zinc/43/09/58/806430958.db2.gz MYGTYKGYBUOTPL-CQSZACIVSA-N 2 1 284.806 3.096 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1cccc(F)c1F ZINC001254510342 806431154 /nfs/dbraw/zinc/43/11/54/806431154.db2.gz MWGMAYVUNQGMTP-VXGBXAGGSA-N 2 1 268.351 3.100 20 0 CGADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1F ZINC001254510342 806431160 /nfs/dbraw/zinc/43/11/60/806431160.db2.gz MWGMAYVUNQGMTP-VXGBXAGGSA-N 2 1 268.351 3.100 20 0 CGADMP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CC1 ZINC001254512856 806432897 /nfs/dbraw/zinc/43/28/97/806432897.db2.gz SMCZRNYYCUIHTG-KRWDZBQOSA-N 2 1 292.442 3.468 20 0 CGADMP Cc1c[nH+]c(NC[C@@]2(F)CCCC[NH2+]C2)c2ccccc12 ZINC001162580300 806623222 /nfs/dbraw/zinc/62/32/22/806623222.db2.gz UJHLSQDWCLUGHD-QGZVFWFLSA-N 2 1 287.382 3.437 20 0 CGADMP [NH3+][C@H]1Cc2ccccc2N(c2cc[nH+]cc2C(F)(F)F)C1 ZINC001162847967 806674333 /nfs/dbraw/zinc/67/43/33/806674333.db2.gz BUSHPUBIGKCORO-NSHDSACASA-N 2 1 293.292 3.122 20 0 CGADMP Cc1[nH+]ccc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1F ZINC001162907726 806683175 /nfs/dbraw/zinc/68/31/75/806683175.db2.gz GJESVSUGTUITFM-SNVBAGLBSA-N 2 1 269.323 3.493 20 0 CGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000037643720 798872144 /nfs/dbraw/zinc/87/21/44/798872144.db2.gz JJMDLDQJBCEWFT-INIZCTEOSA-N 2 1 274.452 3.416 20 0 CGADMP CCc1ccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255663319 806699308 /nfs/dbraw/zinc/69/93/08/806699308.db2.gz FDILXTQILYRNOU-YQQQUEKLSA-N 2 1 286.463 3.396 20 0 CGADMP Cc1cc([C@@H]2CCC[NH+]2C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)no1 ZINC001255674382 806702043 /nfs/dbraw/zinc/70/20/43/806702043.db2.gz RXCLJDANVKWGGD-MYSGWJLTSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@@H]2CCC[NH+]2C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC001255674382 806702048 /nfs/dbraw/zinc/70/20/48/806702048.db2.gz RXCLJDANVKWGGD-MYSGWJLTSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@@H]2CCC[N@H+]2C2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001255674382 806702053 /nfs/dbraw/zinc/70/20/53/806702053.db2.gz RXCLJDANVKWGGD-MYSGWJLTSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cc([C@@H]2CCC[N@@H+]2C2C[C@H]3CCC[C@@H](C2)[NH+]3C)no1 ZINC001255674382 806702061 /nfs/dbraw/zinc/70/20/61/806702061.db2.gz RXCLJDANVKWGGD-MYSGWJLTSA-N 2 1 289.423 3.135 20 0 CGADMP Cc1cccc(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001255674134 806702970 /nfs/dbraw/zinc/70/29/70/806702970.db2.gz LKKUSWKXVWEMQJ-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001255674134 806702973 /nfs/dbraw/zinc/70/29/73/806702973.db2.gz LKKUSWKXVWEMQJ-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001255674134 806702975 /nfs/dbraw/zinc/70/29/75/806702975.db2.gz LKKUSWKXVWEMQJ-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255674134 806702978 /nfs/dbraw/zinc/70/29/78/806702978.db2.gz LKKUSWKXVWEMQJ-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP Cc1cccc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)c1C ZINC000094021364 798967116 /nfs/dbraw/zinc/96/71/16/798967116.db2.gz JRAIHTHYSAJOLB-UHFFFAOYSA-N 2 1 272.436 3.267 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680201 806704350 /nfs/dbraw/zinc/70/43/50/806704350.db2.gz JRMGCGPJHVAAMA-JPIQDLEPSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680201 806704352 /nfs/dbraw/zinc/70/43/52/806704352.db2.gz JRMGCGPJHVAAMA-JPIQDLEPSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680201 806704357 /nfs/dbraw/zinc/70/43/57/806704357.db2.gz JRMGCGPJHVAAMA-JPIQDLEPSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1[C@@H](C)CCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680201 806704360 /nfs/dbraw/zinc/70/43/60/806704360.db2.gz JRMGCGPJHVAAMA-JPIQDLEPSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522179 798968908 /nfs/dbraw/zinc/96/89/08/798968908.db2.gz BPPDTQUSRFVMSC-HIFRSBDPSA-N 2 1 258.409 3.123 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000163384834 799081966 /nfs/dbraw/zinc/08/19/66/799081966.db2.gz VZKFAKSMNIEXBQ-PBHICJAKSA-N 2 1 268.404 3.257 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000340677757 799286657 /nfs/dbraw/zinc/28/66/57/799286657.db2.gz KJVCZWJTJKDJSO-UHFFFAOYSA-N 2 1 286.463 3.461 20 0 CGADMP CC(C)[C@@H](C[NH2+][C@H]1CC2CCC1CC2)[NH+]1CCCC1 ZINC000381939932 799390500 /nfs/dbraw/zinc/39/05/00/799390500.db2.gz APVAPIKDXKJWDD-SJJHQCBESA-N 2 1 264.457 3.275 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000382834162 799398199 /nfs/dbraw/zinc/39/81/99/799398199.db2.gz MDLKYLSOZUDBTQ-IOASZLSFSA-N 2 1 280.843 3.201 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000382834162 799398207 /nfs/dbraw/zinc/39/82/07/799398207.db2.gz MDLKYLSOZUDBTQ-IOASZLSFSA-N 2 1 280.843 3.201 20 0 CGADMP Cc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001255774958 806746036 /nfs/dbraw/zinc/74/60/36/806746036.db2.gz PTRLPYJKIRMZPF-AEFFLSMTSA-N 2 1 274.452 3.248 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000385944619 799430619 /nfs/dbraw/zinc/43/06/19/799430619.db2.gz MPDXGUXNPCTCEH-GFCCVEGCSA-N 2 1 270.779 3.040 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000385944619 799430623 /nfs/dbraw/zinc/43/06/23/799430623.db2.gz MPDXGUXNPCTCEH-GFCCVEGCSA-N 2 1 270.779 3.040 20 0 CGADMP c1ccc(C2CCC([N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000386816363 799441019 /nfs/dbraw/zinc/44/10/19/799441019.db2.gz QOAUWDZUKUQQLV-VLOYRQLPSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc(C2CCC([N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000386816363 799441024 /nfs/dbraw/zinc/44/10/24/799441024.db2.gz QOAUWDZUKUQQLV-VLOYRQLPSA-N 2 1 284.447 3.397 20 0 CGADMP C1CCC2(C1)CCC([N@@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000394027561 799493081 /nfs/dbraw/zinc/49/30/81/799493081.db2.gz NPXUJSMDDINXED-HUUCEWRRSA-N 2 1 262.441 3.031 20 0 CGADMP C1CCC2(C1)CCC([N@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000394027561 799493088 /nfs/dbraw/zinc/49/30/88/799493088.db2.gz NPXUJSMDDINXED-HUUCEWRRSA-N 2 1 262.441 3.031 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000401911323 799559582 /nfs/dbraw/zinc/55/95/82/799559582.db2.gz XGSDMORWAZITFC-CQSZACIVSA-N 2 1 295.858 3.398 20 0 CGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000401911323 799559587 /nfs/dbraw/zinc/55/95/87/799559587.db2.gz XGSDMORWAZITFC-CQSZACIVSA-N 2 1 295.858 3.398 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798258 806758007 /nfs/dbraw/zinc/75/80/07/806758007.db2.gz YVOJLYAIFWPRFO-QRQLOZEOSA-N 2 1 286.463 3.200 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798258 806758010 /nfs/dbraw/zinc/75/80/10/806758010.db2.gz YVOJLYAIFWPRFO-QRQLOZEOSA-N 2 1 286.463 3.200 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798258 806758015 /nfs/dbraw/zinc/75/80/15/806758015.db2.gz YVOJLYAIFWPRFO-QRQLOZEOSA-N 2 1 286.463 3.200 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000490065055 799654526 /nfs/dbraw/zinc/65/45/26/799654526.db2.gz DMJDVKNCQCNAJM-LJQANCHMSA-N 2 1 286.463 3.428 20 0 CGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CC3)C[C@H]21 ZINC000503732482 799658255 /nfs/dbraw/zinc/65/82/55/799658255.db2.gz WDQYGYKLAFGFEI-BHIYHBOVSA-N 2 1 299.462 3.024 20 0 CGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CC3)C[C@H]21 ZINC000503732482 799658259 /nfs/dbraw/zinc/65/82/59/799658259.db2.gz WDQYGYKLAFGFEI-BHIYHBOVSA-N 2 1 299.462 3.024 20 0 CGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000503732482 799658265 /nfs/dbraw/zinc/65/82/65/799658265.db2.gz WDQYGYKLAFGFEI-BHIYHBOVSA-N 2 1 299.462 3.024 20 0 CGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000503732482 799658271 /nfs/dbraw/zinc/65/82/71/799658271.db2.gz WDQYGYKLAFGFEI-BHIYHBOVSA-N 2 1 299.462 3.024 20 0 CGADMP CCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653887030 799728208 /nfs/dbraw/zinc/72/82/08/799728208.db2.gz ZAZAIALTWQJJND-BSDSXHPESA-N 2 1 274.452 3.291 20 0 CGADMP CCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653887030 799728214 /nfs/dbraw/zinc/72/82/14/799728214.db2.gz ZAZAIALTWQJJND-BSDSXHPESA-N 2 1 274.452 3.291 20 0 CGADMP CCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653887030 799728219 /nfs/dbraw/zinc/72/82/19/799728219.db2.gz ZAZAIALTWQJJND-BSDSXHPESA-N 2 1 274.452 3.291 20 0 CGADMP CCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653887030 799728222 /nfs/dbraw/zinc/72/82/22/799728222.db2.gz ZAZAIALTWQJJND-BSDSXHPESA-N 2 1 274.452 3.291 20 0 CGADMP C[C@H]1CCCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687962938 799742373 /nfs/dbraw/zinc/74/23/73/799742373.db2.gz PQRFGHNVFLIMIT-LBPRGKRZSA-N 2 1 264.438 3.158 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H]1C ZINC000687969389 799742971 /nfs/dbraw/zinc/74/29/71/799742971.db2.gz SSKAPWNLIMAMBJ-VXGBXAGGSA-N 2 1 264.438 3.014 20 0 CGADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000687964332 799743508 /nfs/dbraw/zinc/74/35/08/799743508.db2.gz XMWWSQDVLVHCRA-GFCCVEGCSA-N 2 1 264.438 3.016 20 0 CGADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000688809907 799756732 /nfs/dbraw/zinc/75/67/32/799756732.db2.gz SLSKZGIHBBYGCZ-CHWSQXEVSA-N 2 1 260.372 3.014 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001255873361 806777920 /nfs/dbraw/zinc/77/79/20/806777920.db2.gz OTDSXZAREYIHGB-HNNXBMFYSA-N 2 1 278.415 3.174 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001255878689 806781347 /nfs/dbraw/zinc/78/13/47/806781347.db2.gz QTNYJZPLMOERBA-AWEZNQCLSA-N 2 1 290.426 3.315 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001255878689 806781351 /nfs/dbraw/zinc/78/13/51/806781351.db2.gz QTNYJZPLMOERBA-AWEZNQCLSA-N 2 1 290.426 3.315 20 0 CGADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000697002210 799843009 /nfs/dbraw/zinc/84/30/09/799843009.db2.gz ZLDLCGGHJFHFJD-CQSZACIVSA-N 2 1 266.816 3.162 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700827720 799881891 /nfs/dbraw/zinc/88/18/91/799881891.db2.gz XXTHFDDBEWSMTI-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP COc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700827720 799881896 /nfs/dbraw/zinc/88/18/96/799881896.db2.gz XXTHFDDBEWSMTI-CYBMUJFWSA-N 2 1 296.842 3.170 20 0 CGADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000700827420 799882199 /nfs/dbraw/zinc/88/21/99/799882199.db2.gz WFDXMXAVEPDDRC-OAGGEKHMSA-N 2 1 252.446 3.277 20 0 CGADMP c1cc(C[N@H+]2CCC23CCCCC3)cc2c1C[NH2+]C2 ZINC000707188832 799974742 /nfs/dbraw/zinc/97/47/42/799974742.db2.gz IINQXGOVCMYLIV-UHFFFAOYSA-N 2 1 256.393 3.198 20 0 CGADMP c1cc2c(cc1C[N@H+]1CCC13CCCCC3)C[NH2+]CC2 ZINC000707201767 799975381 /nfs/dbraw/zinc/97/53/81/799975381.db2.gz VKDAQSVIMCBGFE-UHFFFAOYSA-N 2 1 270.420 3.241 20 0 CGADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708554309 799992096 /nfs/dbraw/zinc/99/20/96/799992096.db2.gz XHFQZNHWLMHDLJ-XYVMCAHJSA-N 2 1 272.436 3.143 20 0 CGADMP CCCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708544229 799992501 /nfs/dbraw/zinc/99/25/01/799992501.db2.gz PINGJNNTRNPLIL-WBVHZDCISA-N 2 1 260.425 3.144 20 0 CGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC000710324821 800032760 /nfs/dbraw/zinc/03/27/60/800032760.db2.gz IZADTFJFVNAJSS-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CCc1ccc(Cl)cc1 ZINC000710782415 800039152 /nfs/dbraw/zinc/03/91/52/800039152.db2.gz VHRJENOFTFESIM-UHFFFAOYSA-N 2 1 268.832 3.333 20 0 CGADMP C[N@@H+](CCCCCC[NH3+])CC[C@H]1CC1(Cl)Cl ZINC000710798665 800040683 /nfs/dbraw/zinc/04/06/83/800040683.db2.gz LENNOYANODNYOD-NSHDSACASA-N 2 1 267.244 3.021 20 0 CGADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(C)cc1 ZINC000711021854 800045474 /nfs/dbraw/zinc/04/54/74/800045474.db2.gz HMWGTZDCWYSBNI-QGZVFWFLSA-N 2 1 260.425 3.349 20 0 CGADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001255958091 806799587 /nfs/dbraw/zinc/79/95/87/806799587.db2.gz YNGBCYLXPSQVHZ-OAGGEKHMSA-N 2 1 252.446 3.229 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC001255964398 806803223 /nfs/dbraw/zinc/80/32/23/806803223.db2.gz RWEMCXGGXXIFBX-HNNXBMFYSA-N 2 1 252.446 3.373 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001255973320 806803635 /nfs/dbraw/zinc/80/36/35/806803635.db2.gz XXROJWQKBLIRTQ-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001255973320 806803642 /nfs/dbraw/zinc/80/36/42/806803642.db2.gz XXROJWQKBLIRTQ-WMZOPIPTSA-N 2 1 296.499 3.388 20 0 CGADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)CO2)[C@@H]1CCC[NH3+] ZINC000713596306 800113838 /nfs/dbraw/zinc/11/38/38/800113838.db2.gz LCSLMVLCJWGVOF-BZUAXINKSA-N 2 1 282.472 3.031 20 0 CGADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000716330531 800169007 /nfs/dbraw/zinc/16/90/07/800169007.db2.gz YLYPAAGUMPXDHT-JQWIXIFHSA-N 2 1 287.234 3.266 20 0 CGADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717936684 800208512 /nfs/dbraw/zinc/20/85/12/800208512.db2.gz XYEDSCSXYAKYLE-LESCRADOSA-N 2 1 272.436 3.415 20 0 CGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CC1 ZINC001256071609 806811914 /nfs/dbraw/zinc/81/19/14/806811914.db2.gz GWMVHAYWESFJRI-UHFFFAOYSA-N 2 1 250.430 3.029 20 0 CGADMP Clc1ccc([C@H]2C[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001256073680 806812621 /nfs/dbraw/zinc/81/26/21/806812621.db2.gz AAMASCQOPWJKEM-IAGOWNOFSA-N 2 1 290.838 3.412 20 0 CGADMP C1CC1N1CCC([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001256082154 806816422 /nfs/dbraw/zinc/81/64/22/806816422.db2.gz UNZCQJUOPABOJX-HUUCEWRRSA-N 2 1 262.441 3.125 20 0 CGADMP C1CC1N1CCC([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001256082154 806816428 /nfs/dbraw/zinc/81/64/28/806816428.db2.gz UNZCQJUOPABOJX-HUUCEWRRSA-N 2 1 262.441 3.125 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)C2CCN(C3CC3)CC2)CC1 ZINC001256081977 806817260 /nfs/dbraw/zinc/81/72/60/806817260.db2.gz GXGBDKGKCPIAJC-HDJSIYSDSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CC[C@H]([N@H+](C)C2CC[NH+](C3CC3)CC2)CC1 ZINC001256081977 806817262 /nfs/dbraw/zinc/81/72/62/806817262.db2.gz GXGBDKGKCPIAJC-HDJSIYSDSA-N 2 1 250.430 3.124 20 0 CGADMP C[C@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C3CC3)CC2)CC1 ZINC001256081977 806817271 /nfs/dbraw/zinc/81/72/71/806817271.db2.gz GXGBDKGKCPIAJC-HDJSIYSDSA-N 2 1 250.430 3.124 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2Cc3ccccc3C[C@H]2CN)C1 ZINC000721525995 800291905 /nfs/dbraw/zinc/29/19/05/800291905.db2.gz TXMJICJAWQJPSX-IRXDYDNUSA-N 2 1 272.436 3.341 20 0 CGADMP CC1(C)CCC[C@H]([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC000721525995 800291909 /nfs/dbraw/zinc/29/19/09/800291909.db2.gz TXMJICJAWQJPSX-IRXDYDNUSA-N 2 1 272.436 3.341 20 0 CGADMP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CCCC1 ZINC000721620390 800298516 /nfs/dbraw/zinc/29/85/16/800298516.db2.gz QCENQZKIXAIWCW-GJZGRUSLSA-N 2 1 282.472 3.044 20 0 CGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000723702226 800338396 /nfs/dbraw/zinc/33/83/96/800338396.db2.gz ZTLKQORGHQBVRA-SNVBAGLBSA-N 2 1 290.304 3.015 20 0 CGADMP C[NH+]1CCC([NH2+]Cc2cccc(OCC3CCC3)c2)CC1 ZINC001256199466 806847538 /nfs/dbraw/zinc/84/75/38/806847538.db2.gz AIKRYGIQWCATFI-UHFFFAOYSA-N 2 1 288.435 3.049 20 0 CGADMP CCCC[C@H](CC)COCCC[NH2+]C1CC[NH+](C)CC1 ZINC001256195249 806847790 /nfs/dbraw/zinc/84/77/90/806847790.db2.gz GQHPKPDZRORSMC-INIZCTEOSA-N 2 1 284.488 3.293 20 0 CGADMP CC[C@@H](C)C1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256200580 806848015 /nfs/dbraw/zinc/84/80/15/806848015.db2.gz XBJNEDVWFBXEDO-WLYUNCDWSA-N 2 1 252.446 3.275 20 0 CGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C2CCN(C)CC2)cc1 ZINC001256207837 806848539 /nfs/dbraw/zinc/84/85/39/806848539.db2.gz UVUIPIVEKXMMMC-SFHVURJKSA-N 2 1 288.435 3.316 20 0 CGADMP CN1CCC([N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001256203536 806848815 /nfs/dbraw/zinc/84/88/15/806848815.db2.gz ZSUCJWPKTRVCDQ-QGZVFWFLSA-N 2 1 258.409 3.308 20 0 CGADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn(C2CC[NH+](C)CC2)n1 ZINC001256209194 806849244 /nfs/dbraw/zinc/84/92/44/806849244.db2.gz UANCKYJPYCSPAU-OAHLLOKOSA-N 2 1 298.434 3.001 20 0 CGADMP CCc1cccc(NCc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC001163999040 806872000 /nfs/dbraw/zinc/87/20/00/806872000.db2.gz NLAKXHJEZJSRBR-UHFFFAOYSA-N 2 1 269.392 3.318 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001256569834 806919898 /nfs/dbraw/zinc/91/98/98/806919898.db2.gz PTYPLDUGPJTMLT-MRXNPFEDSA-N 2 1 270.436 3.463 20 0 CGADMP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001256569834 806919905 /nfs/dbraw/zinc/91/99/05/806919905.db2.gz PTYPLDUGPJTMLT-MRXNPFEDSA-N 2 1 270.436 3.463 20 0 CGADMP F[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256607443 806923357 /nfs/dbraw/zinc/92/33/57/806923357.db2.gz MWOHWDMQRXBXKD-MRXNPFEDSA-N 2 1 276.399 3.085 20 0 CGADMP F[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256607443 806923360 /nfs/dbraw/zinc/92/33/60/806923360.db2.gz MWOHWDMQRXBXKD-MRXNPFEDSA-N 2 1 276.399 3.085 20 0 CGADMP CC[N@@H+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629707 806931694 /nfs/dbraw/zinc/93/16/94/806931694.db2.gz QBJXGBLVDWXKAA-PBWFPOADSA-N 2 1 264.438 3.195 20 0 CGADMP CC[NH+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629707 806931696 /nfs/dbraw/zinc/93/16/96/806931696.db2.gz QBJXGBLVDWXKAA-PBWFPOADSA-N 2 1 264.438 3.195 20 0 CGADMP CC[NH+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629707 806931700 /nfs/dbraw/zinc/93/17/00/806931700.db2.gz QBJXGBLVDWXKAA-PBWFPOADSA-N 2 1 264.438 3.195 20 0 CGADMP CC[N@@H+](Cc1ccc(C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629596 806932320 /nfs/dbraw/zinc/93/23/20/806932320.db2.gz MQXUJQQYUGSTND-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629596 806932323 /nfs/dbraw/zinc/93/23/23/806932323.db2.gz MQXUJQQYUGSTND-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP CC[NH+](Cc1ccc(C)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629596 806932329 /nfs/dbraw/zinc/93/23/29/806932329.db2.gz MQXUJQQYUGSTND-JWTNVVGKSA-N 2 1 272.436 3.442 20 0 CGADMP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c1 ZINC001116292825 802325027 /nfs/dbraw/zinc/32/50/27/802325027.db2.gz FQFNOGRAIBUZGN-JKSUJKDBSA-N 2 1 290.451 3.468 20 0 CGADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256791431 806978161 /nfs/dbraw/zinc/97/81/61/806978161.db2.gz ZTXOAWFQKUCIPD-HIEASXQVSA-N 2 1 288.435 3.108 20 0 CGADMP Cc1cccc2c1cc[nH+]c2N1CCC2(CC([NH3+])C2)CC1 ZINC001165243017 806979653 /nfs/dbraw/zinc/97/96/53/806979653.db2.gz DOTMGVYDGBPANI-UHFFFAOYSA-N 2 1 281.403 3.251 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172381570 808276172 /nfs/dbraw/zinc/27/61/72/808276172.db2.gz FHHIHGHIXKNGDR-SMLCLMEVSA-N 2 1 264.457 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172381570 808276174 /nfs/dbraw/zinc/27/61/74/808276174.db2.gz FHHIHGHIXKNGDR-SMLCLMEVSA-N 2 1 264.457 3.085 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172381570 808276180 /nfs/dbraw/zinc/27/61/80/808276180.db2.gz FHHIHGHIXKNGDR-SMLCLMEVSA-N 2 1 264.457 3.085 20 0 CGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC001117318854 802462794 /nfs/dbraw/zinc/46/27/94/802462794.db2.gz BTSPXFJWESRYAD-SCRDCRAPSA-N 2 1 293.842 3.185 20 0 CGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC001118122714 802527126 /nfs/dbraw/zinc/52/71/26/802527126.db2.gz ZRKDJHHYJPONEV-CHWSQXEVSA-N 2 1 260.381 3.390 20 0 CGADMP Fc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001118197814 802536326 /nfs/dbraw/zinc/53/63/26/802536326.db2.gz CTUFMYYMIJKUTF-LBTNJELSSA-N 2 1 288.410 3.135 20 0 CGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1C1CC1)C2 ZINC001275414024 808935558 /nfs/dbraw/zinc/93/55/58/808935558.db2.gz QIOISUROSHHRCT-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1C1CC1)C2 ZINC001275414024 808935564 /nfs/dbraw/zinc/93/55/64/808935564.db2.gz QIOISUROSHHRCT-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001275414024 808935570 /nfs/dbraw/zinc/93/55/70/808935570.db2.gz QIOISUROSHHRCT-LJQANCHMSA-N 2 1 284.447 3.482 20 0 CGADMP F[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC001120364615 802742412 /nfs/dbraw/zinc/74/24/12/802742412.db2.gz MEYWPVGEPCSYTI-BBQCCYIRSA-N 2 1 266.404 3.015 20 0 CGADMP Fc1ccccc1CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256893899 807000275 /nfs/dbraw/zinc/00/02/75/807000275.db2.gz BDDSNLMIKHSXPF-MRXNPFEDSA-N 2 1 290.426 3.365 20 0 CGADMP Fc1ccccc1CC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256893899 807000282 /nfs/dbraw/zinc/00/02/82/807000282.db2.gz BDDSNLMIKHSXPF-MRXNPFEDSA-N 2 1 290.426 3.365 20 0 CGADMP [NH3+]Cc1nn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256901371 807001818 /nfs/dbraw/zinc/00/18/18/807001818.db2.gz VWNDJOTWUASJER-OAHLLOKOSA-N 2 1 298.434 3.075 20 0 CGADMP C(C1CC1)C1([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256907541 807006348 /nfs/dbraw/zinc/00/63/48/807006348.db2.gz DBXRIWKOCXIVDI-OAHLLOKOSA-N 2 1 262.441 3.316 20 0 CGADMP C(C1CC1)C1([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256907541 807006353 /nfs/dbraw/zinc/00/63/53/807006353.db2.gz DBXRIWKOCXIVDI-OAHLLOKOSA-N 2 1 262.441 3.316 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C[C@H]1C[NH3+] ZINC001205306678 812944848 /nfs/dbraw/zinc/94/48/48/812944848.db2.gz YVIIIZPDLQEWME-DGCLKSJQSA-N 2 1 291.826 3.238 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC001205136126 812883796 /nfs/dbraw/zinc/88/37/96/812883796.db2.gz PQJVLODCVBRQMG-GOEBONIOSA-N 2 1 268.404 3.175 20 0 CGADMP CC[N@H+]1CC=C(c2cnc(C3=C[NH2+]CCC3)c(C)c2)CC1 ZINC001243949912 803095479 /nfs/dbraw/zinc/09/54/79/803095479.db2.gz UFBULIWXRYEBOL-UHFFFAOYSA-N 2 1 283.419 3.223 20 0 CGADMP CC[N@@H+]1CC=C(c2cnc(C3=C[NH2+]CCC3)c(C)c2)CC1 ZINC001243949912 803095486 /nfs/dbraw/zinc/09/54/86/803095486.db2.gz UFBULIWXRYEBOL-UHFFFAOYSA-N 2 1 283.419 3.223 20 0 CGADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC001206014519 813166795 /nfs/dbraw/zinc/16/67/95/813166795.db2.gz XEAWPAVKORGSEK-HZPDHXFCSA-N 2 1 290.451 3.119 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)CCCC1 ZINC001208183703 813736263 /nfs/dbraw/zinc/73/62/63/813736263.db2.gz FHSSJVNQNOKUAF-HZPDHXFCSA-N 2 1 264.457 3.230 20 0 CGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2c1cccc2F ZINC001137056440 803676881 /nfs/dbraw/zinc/67/68/81/803676881.db2.gz UZIIBTAIIUATOS-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2c1cccc2F ZINC001137056440 803676882 /nfs/dbraw/zinc/67/68/82/803676882.db2.gz UZIIBTAIIUATOS-UHFFFAOYSA-N 2 1 289.398 3.225 20 0 CGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1F)CC2 ZINC001137661240 803753298 /nfs/dbraw/zinc/75/32/98/803753298.db2.gz KTGOXYOAGPBSAM-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP CCC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543580 803964654 /nfs/dbraw/zinc/96/46/54/803964654.db2.gz PTEMZWKLIYNJKM-UHFFFAOYSA-N 2 1 257.381 3.413 20 0 CGADMP CCC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543580 803964663 /nfs/dbraw/zinc/96/46/63/803964663.db2.gz PTEMZWKLIYNJKM-UHFFFAOYSA-N 2 1 257.381 3.413 20 0 CGADMP CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC001138551469 803966942 /nfs/dbraw/zinc/96/69/42/803966942.db2.gz HVIPOGCXSZPOMK-RDTXWAMCSA-N 2 1 299.418 3.180 20 0 CGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC001138551469 803966946 /nfs/dbraw/zinc/96/69/46/803966946.db2.gz HVIPOGCXSZPOMK-RDTXWAMCSA-N 2 1 299.418 3.180 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246103363 804136949 /nfs/dbraw/zinc/13/69/49/804136949.db2.gz HQUXSCVKDJHKBL-XUJVJEKNSA-N 2 1 298.833 3.388 20 0 CGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246103357 804137093 /nfs/dbraw/zinc/13/70/93/804137093.db2.gz HQUXSCVKDJHKBL-JMSVASOKSA-N 2 1 298.833 3.388 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001139156220 804142457 /nfs/dbraw/zinc/14/24/57/804142457.db2.gz ZDTRPYZHSHPWRB-CALCHBBNSA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001139156220 804142463 /nfs/dbraw/zinc/14/24/63/804142463.db2.gz ZDTRPYZHSHPWRB-CALCHBBNSA-N 2 1 297.446 3.045 20 0 CGADMP CCn1ccc2c1cccc2C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001139156220 804142467 /nfs/dbraw/zinc/14/24/67/804142467.db2.gz ZDTRPYZHSHPWRB-CALCHBBNSA-N 2 1 297.446 3.045 20 0 CGADMP F[C@]1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCCC[NH2+]C1 ZINC001246112040 804143125 /nfs/dbraw/zinc/14/31/25/804143125.db2.gz KBVHEYVJAQLZLH-KZNAEPCWSA-N 2 1 290.426 3.394 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246114895 804146864 /nfs/dbraw/zinc/14/68/64/804146864.db2.gz QHCRBOFUWVNMQV-SJORKVTESA-N 2 1 278.415 3.079 20 0 CGADMP C[C@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246115920 804148172 /nfs/dbraw/zinc/14/81/72/804148172.db2.gz KTAHIHXZJPFRMR-TURKWSHLSA-N 2 1 299.245 3.048 20 0 CGADMP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246121002 804151734 /nfs/dbraw/zinc/15/17/34/804151734.db2.gz VDOFYEBUCFYFAV-KBPBESRZSA-N 2 1 296.480 3.412 20 0 CGADMP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246134634 804158875 /nfs/dbraw/zinc/15/88/75/804158875.db2.gz OBJRYIRIULYLAN-WWGRRREGSA-N 2 1 294.464 3.022 20 0 CGADMP Clc1cccc2c1C[C@H]([NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)CC2 ZINC001246136748 804160758 /nfs/dbraw/zinc/16/07/58/804160758.db2.gz SRUAOKWBRYUHNI-XOKHGSTOSA-N 2 1 290.838 3.072 20 0 CGADMP CCC[C@@H](C)CC[C@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160474 804177821 /nfs/dbraw/zinc/17/78/21/804177821.db2.gz NBMHWAKAVDZNOB-VSZNYVQBSA-N 2 1 296.499 3.482 20 0 CGADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246172487 804187889 /nfs/dbraw/zinc/18/78/89/804187889.db2.gz HJOZLHSFQFGOQY-ROUUACIJSA-N 2 1 292.442 3.469 20 0 CGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246174740 804189055 /nfs/dbraw/zinc/18/90/55/804189055.db2.gz DLCKMFSKYZICMP-SMDDNHRTSA-N 2 1 284.806 3.142 20 0 CGADMP C[C@]1([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246192339 804199767 /nfs/dbraw/zinc/19/97/67/804199767.db2.gz ZTCQFUMFYBANLY-ZACQAIPSSA-N 2 1 258.409 3.054 20 0 CGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246197040 804203321 /nfs/dbraw/zinc/20/33/21/804203321.db2.gz XVHXDHUYCITXCH-BRWVUGGUSA-N 2 1 295.515 3.007 20 0 CGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246221910 804215961 /nfs/dbraw/zinc/21/59/61/804215961.db2.gz PKCGKKBJTLFZEY-ZIAGYGMSSA-N 2 1 274.399 3.346 20 0 CGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(F)c2)C[C@H](CC)[NH2+]1 ZINC001246225707 804219040 /nfs/dbraw/zinc/21/90/40/804219040.db2.gz NOIBAGLHWYVGAN-FICVDOATSA-N 2 1 294.414 3.233 20 0 CGADMP CCCCC[C@@H](CC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246226129 804219989 /nfs/dbraw/zinc/21/99/89/804219989.db2.gz FKLWNZWINWRNKG-CHWSQXEVSA-N 2 1 262.388 3.180 20 0 CGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(F)c2)C[C@H](CC)[NH2+]1 ZINC001246225710 804221056 /nfs/dbraw/zinc/22/10/56/804221056.db2.gz NOIBAGLHWYVGAN-QDMKHBRRSA-N 2 1 294.414 3.233 20 0 CGADMP Cc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246236365 804228196 /nfs/dbraw/zinc/22/81/96/804228196.db2.gz RMCJPQPKKPRXMA-HZPDHXFCSA-N 2 1 264.388 3.000 20 0 CGADMP CC[C@H]([NH2+][C@@H](C)CC[NH2+]C)c1cc(F)ccc1F ZINC001246268361 804247796 /nfs/dbraw/zinc/24/77/96/804247796.db2.gz PXIWVBWANGTFTC-HZMBPMFUSA-N 2 1 256.340 3.004 20 0 CGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001246270060 804248204 /nfs/dbraw/zinc/24/82/04/804248204.db2.gz SUNGYXMROUVCEI-FXAWDEMLSA-N 2 1 296.458 3.476 20 0 CGADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2OC)CC[NH2+]1 ZINC001246268807 804248233 /nfs/dbraw/zinc/24/82/33/804248233.db2.gz ZSVWWOOSBGLVLS-HZPDHXFCSA-N 2 1 294.414 3.235 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2F)C2CCC2)CC[NH2+]1 ZINC001246282069 804256317 /nfs/dbraw/zinc/25/63/17/804256317.db2.gz UAZPAGIAPHXYRY-IFIJOSMWSA-N 2 1 276.399 3.397 20 0 CGADMP CC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001246310630 804273809 /nfs/dbraw/zinc/27/38/09/804273809.db2.gz FILRZOQOVUKIMW-RISCZKNCSA-N 2 1 299.256 3.097 20 0 CGADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246330140 804286345 /nfs/dbraw/zinc/28/63/45/804286345.db2.gz VGANSJSPKUHJGM-VDHUWJSZSA-N 2 1 272.436 3.443 20 0 CGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCC2(CCCC2)CC1 ZINC001246345843 804295522 /nfs/dbraw/zinc/29/55/22/804295522.db2.gz ORWKYWCWYMEBGM-AWEZNQCLSA-N 2 1 252.446 3.452 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246344345 804295945 /nfs/dbraw/zinc/29/59/45/804295945.db2.gz ITMUJUNNGQOWDS-FZMZJTMJSA-N 2 1 268.832 3.234 20 0 CGADMP [NH3+]CC1([NH2+]C2CCC(Cc3ccccc3)CC2)CCC1 ZINC001246355553 804300814 /nfs/dbraw/zinc/30/08/14/804300814.db2.gz JFNZXQFIMXIYGL-UHFFFAOYSA-N 2 1 272.436 3.259 20 0 CGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246354563 804301013 /nfs/dbraw/zinc/30/10/13/804301013.db2.gz GSEBZCNMJFGKIU-LLVKDONJSA-N 2 1 286.341 3.107 20 0 CGADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CCC1 ZINC001246354449 804301538 /nfs/dbraw/zinc/30/15/38/804301538.db2.gz FNSNWHLJMACAKK-MRXNPFEDSA-N 2 1 260.425 3.115 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC001246360179 804303121 /nfs/dbraw/zinc/30/31/21/804303121.db2.gz FYZLRPKQFNIIQG-YQQAZPJKSA-N 2 1 295.515 3.006 20 0 CGADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC001246360180 804303919 /nfs/dbraw/zinc/30/39/19/804303919.db2.gz FYZLRPKQFNIIQG-ZOBUZTSGSA-N 2 1 295.515 3.006 20 0 CGADMP CCCC[C@@H]1C[C@H](N[C@H]2CC[N@H+](C(CC)CC)C2)CC[NH2+]1 ZINC001246360209 804304666 /nfs/dbraw/zinc/30/46/66/804304666.db2.gz GFNFKOQJVUOYEL-ZACQAIPSSA-N 2 1 295.515 3.150 20 0 CGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C[NH2+]1 ZINC001246362495 804305518 /nfs/dbraw/zinc/30/55/18/804305518.db2.gz LZKBWXPBPXLZMD-OASPWFOLSA-N 2 1 299.245 3.191 20 0 CGADMP Cc1ccc(CC2(C[NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC001246384012 804315424 /nfs/dbraw/zinc/31/54/24/804315424.db2.gz NFLJOSAODOZQBW-NVXWUHKLSA-N 2 1 272.436 3.048 20 0 CGADMP C[C@@H]1CC[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C[NH2+]1 ZINC001246384541 804316169 /nfs/dbraw/zinc/31/61/69/804316169.db2.gz PQJLPKPQTDOIQG-CJNGLKHVSA-N 2 1 292.854 3.393 20 0 CGADMP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC001246385130 804316211 /nfs/dbraw/zinc/31/62/11/804316211.db2.gz RQOPUYUSISZICH-GXTWGEPZSA-N 2 1 278.827 3.003 20 0 CGADMP CC[N@@H+](Cc1cncc2ccccc21)C1CCN(C)CC1 ZINC001139895227 804321256 /nfs/dbraw/zinc/32/12/56/804321256.db2.gz DYMAMUXDMAOWPG-UHFFFAOYSA-N 2 1 283.419 3.151 20 0 CGADMP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246403527 804322191 /nfs/dbraw/zinc/32/21/91/804322191.db2.gz GZLSQSJVWYVMPK-SJORKVTESA-N 2 1 258.409 3.260 20 0 CGADMP FC1(F)CCC(CC2CC2)([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246405475 804322976 /nfs/dbraw/zinc/32/29/76/804322976.db2.gz LDEAJFUKYMDCFR-CYBMUJFWSA-N 2 1 272.383 3.076 20 0 CGADMP Cc1ccc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001139933189 804328458 /nfs/dbraw/zinc/32/84/58/804328458.db2.gz NDNXSSQQINYGSX-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cn1 ZINC001139933189 804328469 /nfs/dbraw/zinc/32/84/69/804328469.db2.gz NDNXSSQQINYGSX-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cn1 ZINC001139933189 804328478 /nfs/dbraw/zinc/32/84/78/804328478.db2.gz NDNXSSQQINYGSX-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001139933189 804328489 /nfs/dbraw/zinc/32/84/89/804328489.db2.gz NDNXSSQQINYGSX-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cn1 ZINC001139933189 804328497 /nfs/dbraw/zinc/32/84/97/804328497.db2.gz NDNXSSQQINYGSX-ZWKOTPCHSA-N 2 1 287.451 3.229 20 0 CGADMP C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3F)CCC2)C[NH2+]1 ZINC001246433387 804331069 /nfs/dbraw/zinc/33/10/69/804331069.db2.gz JIQCANRUYMVBTP-DZGCQCFKSA-N 2 1 276.399 3.021 20 0 CGADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246497759 804360467 /nfs/dbraw/zinc/36/04/67/804360467.db2.gz QZWKWCSQDVIPNM-NXHRZFHOSA-N 2 1 274.452 3.376 20 0 CGADMP CCCC(C[NH3+])(CCC)[NH2+]C1Cc2ccccc2C1 ZINC001246494535 804360897 /nfs/dbraw/zinc/36/08/97/804360897.db2.gz HGQFJGZCAHJOEZ-UHFFFAOYSA-N 2 1 260.425 3.041 20 0 CGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001246502925 804363567 /nfs/dbraw/zinc/36/35/67/804363567.db2.gz HSHLULXNSXCSSL-KGLIPLIRSA-N 2 1 280.843 3.160 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC001246503862 804363710 /nfs/dbraw/zinc/36/37/10/804363710.db2.gz LOURLDNWACQRMA-YOEHRIQHSA-N 2 1 262.441 3.143 20 0 CGADMP CNc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246505008 804365961 /nfs/dbraw/zinc/36/59/61/804365961.db2.gz KBWGURONKFCURK-MOPGFXCFSA-N 2 1 295.430 3.311 20 0 CGADMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246518939 804370931 /nfs/dbraw/zinc/37/09/31/804370931.db2.gz JBAJYAMQGRDEIA-IRXDYDNUSA-N 2 1 260.425 3.429 20 0 CGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246521182 804376996 /nfs/dbraw/zinc/37/69/96/804376996.db2.gz XSIWXJVVOGZUNN-LXTVHRRPSA-N 2 1 252.446 3.416 20 0 CGADMP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246531720 804383410 /nfs/dbraw/zinc/38/34/10/804383410.db2.gz SMHABXIILQIKFY-LSDHHAIUSA-N 2 1 250.430 3.303 20 0 CGADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC(Cc2ccccc2)CC1 ZINC001246542005 804391217 /nfs/dbraw/zinc/39/12/17/804391217.db2.gz IJYUCEXVBOUXLP-AGERRDQYSA-N 2 1 272.436 3.209 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001246544367 804393646 /nfs/dbraw/zinc/39/36/46/804393646.db2.gz VCHLZRZKEQPKQZ-VMWRSERWSA-N 2 1 288.435 3.190 20 0 CGADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC001246544923 804393866 /nfs/dbraw/zinc/39/38/66/804393866.db2.gz DNTJSALMBVMFRT-HFTRVMKXSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C[C@H]1C[NH3+] ZINC001246547040 804395127 /nfs/dbraw/zinc/39/51/27/804395127.db2.gz AJUQTNMYSJDNQV-BPLDGKMQSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C[C@@H]1C[NH3+] ZINC001246547041 804395996 /nfs/dbraw/zinc/39/59/96/804395996.db2.gz AJUQTNMYSJDNQV-SNPRPXQTSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCc3ccccc3[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246546595 804396165 /nfs/dbraw/zinc/39/61/65/804396165.db2.gz LDQNZIMOALCSEC-FQLMCAECSA-N 2 1 258.409 3.135 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246549469 804397951 /nfs/dbraw/zinc/39/79/51/804397951.db2.gz GZOBAWZNZUXYFS-NFAWXSAZSA-N 2 1 280.843 3.188 20 0 CGADMP CC1(C)CCC[N@@H+]1[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246549370 804398271 /nfs/dbraw/zinc/39/82/71/804398271.db2.gz KNAZRJGVLCGGKU-CVEARBPZSA-N 2 1 258.409 3.354 20 0 CGADMP CC1(C)CCC[N@H+]1[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246549370 804398275 /nfs/dbraw/zinc/39/82/75/804398275.db2.gz KNAZRJGVLCGGKU-CVEARBPZSA-N 2 1 258.409 3.354 20 0 CGADMP CCCCCC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246548853 804399691 /nfs/dbraw/zinc/39/96/91/804399691.db2.gz KPYVUVJXRHLOAN-GJZGRUSLSA-N 2 1 258.425 3.498 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001246551293 804400806 /nfs/dbraw/zinc/40/08/06/804400806.db2.gz PNQHVVNVQRVUOO-CHWSQXEVSA-N 2 1 298.833 3.342 20 0 CGADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001246551293 804400809 /nfs/dbraw/zinc/40/08/09/804400809.db2.gz PNQHVVNVQRVUOO-CHWSQXEVSA-N 2 1 298.833 3.342 20 0 CGADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552091 804402040 /nfs/dbraw/zinc/40/20/40/804402040.db2.gz NRWHITGZUPQZPF-OCCSQVGLSA-N 2 1 258.475 3.110 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246553399 804402191 /nfs/dbraw/zinc/40/21/91/804402191.db2.gz RMJYCMDFSZIAFX-RHSMWYFYSA-N 2 1 292.854 3.401 20 0 CGADMP CCCCC[C@@H](CC)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246551751 804402407 /nfs/dbraw/zinc/40/24/07/804402407.db2.gz QTBFVURRWHLAMU-CABCVRRESA-N 2 1 258.425 3.498 20 0 CGADMP C[C@]1([NH3+])CCC[N@H+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001246552876 804402461 /nfs/dbraw/zinc/40/24/61/804402461.db2.gz PQWNRQARDQRVFW-BPCQOVAHSA-N 2 1 278.362 3.311 20 0 CGADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246552060 804402775 /nfs/dbraw/zinc/40/27/75/804402775.db2.gz NQUGZEIXQGPNRA-IAGOWNOFSA-N 2 1 292.854 3.401 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246554939 804404914 /nfs/dbraw/zinc/40/49/14/804404914.db2.gz CZXWODVEVOEIEM-LVQVYYBASA-N 2 1 252.446 3.418 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC3(CC3)CC2)CC[C@H]1C[NH3+] ZINC001246553802 804405021 /nfs/dbraw/zinc/40/50/21/804405021.db2.gz AEQUCNUSIJJDAQ-KBPBESRZSA-N 2 1 250.430 3.016 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246557257 804406380 /nfs/dbraw/zinc/40/63/80/804406380.db2.gz KGYKALKREVJMDX-NEWSRXKRSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559418 804408199 /nfs/dbraw/zinc/40/81/99/804408199.db2.gz BCZTWGKNJNCMCB-DDBAPUKQSA-N 2 1 272.436 3.382 20 0 CGADMP C[C@@H]1CC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CC[C@H]1C[NH3+] ZINC001246560611 804409219 /nfs/dbraw/zinc/40/92/19/804409219.db2.gz QQWNKJRVZLPNPX-SNPRPXQTSA-N 2 1 292.854 3.114 20 0 CGADMP C[C@@H]1CCCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246564735 804413846 /nfs/dbraw/zinc/41/38/46/804413846.db2.gz ZUQWEOPSEXIHCN-OAGGEKHMSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@H]1C[N@H+](C2CCC3(CC3)CC2)CCC[C@H]1C[NH3+] ZINC001246570173 804416901 /nfs/dbraw/zinc/41/69/01/804416901.db2.gz TZZLAKWAPJMUOK-KBPBESRZSA-N 2 1 250.430 3.016 20 0 CGADMP F[C@@H]1CCCC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246569045 804417006 /nfs/dbraw/zinc/41/70/06/804417006.db2.gz URCBDQANRTVINQ-CABCVRRESA-N 2 1 268.420 3.265 20 0 CGADMP F[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246569045 804417009 /nfs/dbraw/zinc/41/70/09/804417009.db2.gz URCBDQANRTVINQ-CABCVRRESA-N 2 1 268.420 3.265 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H](C)C2)CC[NH2+]1 ZINC001246571154 804417016 /nfs/dbraw/zinc/41/70/16/804417016.db2.gz HRVVIWHMBZDVJX-FPCVCCKLSA-N 2 1 252.446 3.131 20 0 CGADMP C[C@H]1C[N@H+](C2CCC(C(F)(F)F)CC2)CCC[C@H]1C[NH3+] ZINC001246573074 804420888 /nfs/dbraw/zinc/42/08/88/804420888.db2.gz YYLMVYVHRXZAER-FEPKRQSRSA-N 2 1 292.389 3.414 20 0 CGADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC[C@H]1F ZINC001246572999 804421280 /nfs/dbraw/zinc/42/12/80/804421280.db2.gz VNYKOHTXMOWMSF-BRSBDYLESA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC[C@H]1F ZINC001246572999 804421285 /nfs/dbraw/zinc/42/12/85/804421285.db2.gz VNYKOHTXMOWMSF-BRSBDYLESA-N 2 1 290.426 3.474 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C2CCc3ccccc3CC2)C1 ZINC001246576466 804422501 /nfs/dbraw/zinc/42/25/01/804422501.db2.gz KIKDXEZFYOBMMJ-SFHVURJKSA-N 2 1 290.426 3.087 20 0 CGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001246576466 804422506 /nfs/dbraw/zinc/42/25/06/804422506.db2.gz KIKDXEZFYOBMMJ-SFHVURJKSA-N 2 1 290.426 3.087 20 0 CGADMP C[C@H]1CC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1(F)F ZINC001246581669 804425562 /nfs/dbraw/zinc/42/55/62/804425562.db2.gz TXCNVCIPTMODBX-NFOMZHRRSA-N 2 1 286.410 3.276 20 0 CGADMP C[C@H]1CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1(F)F ZINC001246581669 804425567 /nfs/dbraw/zinc/42/55/67/804425567.db2.gz TXCNVCIPTMODBX-NFOMZHRRSA-N 2 1 286.410 3.276 20 0 CGADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246580859 804426028 /nfs/dbraw/zinc/42/60/28/804426028.db2.gz IGKIOSCZTMMURC-HIFRSBDPSA-N 2 1 292.854 3.258 20 0 CGADMP C[C@H]1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246589826 804431896 /nfs/dbraw/zinc/43/18/96/804431896.db2.gz GVIIGMUYRHGGNG-GJZGRUSLSA-N 2 1 250.430 3.031 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246593893 804435698 /nfs/dbraw/zinc/43/56/98/804435698.db2.gz UEEROQFADGYONO-VNHYZAJKSA-N 2 1 280.843 3.330 20 0 CGADMP CC(C)(C)C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246596104 804436461 /nfs/dbraw/zinc/43/64/61/804436461.db2.gz ZFBMAWSTSRUKOD-NEXFUWMNSA-N 2 1 270.436 3.353 20 0 CGADMP CC(C)(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246596104 804436465 /nfs/dbraw/zinc/43/64/65/804436465.db2.gz ZFBMAWSTSRUKOD-NEXFUWMNSA-N 2 1 270.436 3.353 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246601921 804438655 /nfs/dbraw/zinc/43/86/55/804438655.db2.gz HXSGJMYCGJTRLT-RTBURBONSA-N 2 1 286.463 3.473 20 0 CGADMP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246599195 804438858 /nfs/dbraw/zinc/43/88/58/804438858.db2.gz BCYOMFNNZKLTHU-AEFFLSMTSA-N 2 1 290.451 3.456 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@]34CCC[NH2+]CC4)C[C@@H]21 ZINC001246602031 804440014 /nfs/dbraw/zinc/44/00/14/804440014.db2.gz BNKXWHJTOTXGGC-PNBKFKSVSA-N 2 1 262.441 3.029 20 0 CGADMP C1C[N@@H+](C2CCCCCC2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246602931 804440552 /nfs/dbraw/zinc/44/05/52/804440552.db2.gz FDNSJAGYOOXLEG-INIZCTEOSA-N 2 1 250.430 3.317 20 0 CGADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246604405 804441318 /nfs/dbraw/zinc/44/13/18/804441318.db2.gz LROUFACGMQHNDA-JKSUJKDBSA-N 2 1 252.446 3.277 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@]3(CC[NH2+]3)C1)C2 ZINC001246607350 804441433 /nfs/dbraw/zinc/44/14/33/804441433.db2.gz DGAXREPLZJNGPC-DLBZAZTESA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CC[NH2+]3)C1)C2 ZINC001246607350 804441437 /nfs/dbraw/zinc/44/14/37/804441437.db2.gz DGAXREPLZJNGPC-DLBZAZTESA-N 2 1 290.838 3.025 20 0 CGADMP C[C@@H]1CC([NH+]2CCC3(CCCC[NH2+]3)CC2)C[C@@H](C)C1 ZINC001246607523 804443285 /nfs/dbraw/zinc/44/32/85/804443285.db2.gz FGYPYAUXEFFDGI-GJZGRUSLSA-N 2 1 264.457 3.419 20 0 CGADMP CC(C)OCC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246609341 804443596 /nfs/dbraw/zinc/44/35/96/804443596.db2.gz MLXMWCLTPCRGJV-ROUUACIJSA-N 2 1 296.499 3.436 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)C[C@@H]1C ZINC001246611600 804445054 /nfs/dbraw/zinc/44/50/54/804445054.db2.gz GQTVJNMKWKMXNW-QZWWFDLISA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246610809 804445216 /nfs/dbraw/zinc/44/52/16/804445216.db2.gz NZYIRCSNJFBDAR-YESZJQIVSA-N 2 1 282.472 3.046 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)C[C@@H]21 ZINC001246612140 804446939 /nfs/dbraw/zinc/44/69/39/804446939.db2.gz HNLXYMLYTPVHPF-MPTYRVRUSA-N 2 1 262.441 3.029 20 0 CGADMP Cc1ccc(C[C@H](C)[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001246611966 804447184 /nfs/dbraw/zinc/44/71/84/804447184.db2.gz VETQLMBNUBINPN-HKUYNNGSSA-N 2 1 286.463 3.392 20 0 CGADMP c1ccc([C@H]2C[N@@H+](C3CCCCC3)CC23C[NH2+]C3)cc1 ZINC001246616669 804451315 /nfs/dbraw/zinc/45/13/15/804451315.db2.gz AAZXWZFQMYPEAU-QGZVFWFLSA-N 2 1 270.420 3.008 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617084 804452358 /nfs/dbraw/zinc/45/23/58/804452358.db2.gz XQKVWHUXCRHJRU-UXHICEINSA-N 2 1 298.474 3.460 20 0 CGADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246617084 804452361 /nfs/dbraw/zinc/45/23/61/804452361.db2.gz XQKVWHUXCRHJRU-UXHICEINSA-N 2 1 298.474 3.460 20 0 CGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246622899 804454962 /nfs/dbraw/zinc/45/49/62/804454962.db2.gz KKYQHDIRXCIULP-ZJPYXAASSA-N 2 1 296.458 3.110 20 0 CGADMP CC[C@@H]1CC([N@H+]2CCC23CCCC3)C[C@@H](CC)[NH2+]1 ZINC001246622078 804455885 /nfs/dbraw/zinc/45/58/85/804455885.db2.gz GEONDPOZQRTXQF-ZIAGYGMSSA-N 2 1 250.430 3.314 20 0 CGADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)C[C@H]1C ZINC001246622638 804456158 /nfs/dbraw/zinc/45/61/58/804456158.db2.gz RPVVMJYVKPUOSM-LVQVYYBASA-N 2 1 250.430 3.029 20 0 CGADMP C[NH+]1CCC2(C[NH+](Cc3cc(F)cc(Cl)c3)C2)CC1 ZINC001140542190 804456463 /nfs/dbraw/zinc/45/64/63/804456463.db2.gz HDEYKLCWDXAEBL-UHFFFAOYSA-N 2 1 282.790 3.007 20 0 CGADMP C1C[C@]2(C[N@H+]1C1CCCCCCC1)CCCC[NH2+]2 ZINC001246624777 804457441 /nfs/dbraw/zinc/45/74/41/804457441.db2.gz SFPBRBFRNPRKNP-INIZCTEOSA-N 2 1 250.430 3.317 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246627649 804458318 /nfs/dbraw/zinc/45/83/18/804458318.db2.gz XXNXRDWJCXNOJL-IXDOHACOSA-N 2 1 282.472 3.046 20 0 CGADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246628366 804458993 /nfs/dbraw/zinc/45/89/93/804458993.db2.gz XKWDVTJPIYAFAR-YHUYYLMFSA-N 2 1 252.446 3.275 20 0 CGADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246632863 804462824 /nfs/dbraw/zinc/46/28/24/804462824.db2.gz XJQCYIXSJYMBRY-HOCLYGCPSA-N 2 1 250.430 3.031 20 0 CGADMP CCCCCC[C@H](CCC)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246632557 804462841 /nfs/dbraw/zinc/46/28/41/804462841.db2.gz XHMUHRGZKTZJGM-HNNXBMFYSA-N 2 1 252.446 3.421 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246633158 804464084 /nfs/dbraw/zinc/46/40/84/804464084.db2.gz DXKMTZDMBUETIS-INDMIFKZSA-N 2 1 284.447 3.397 20 0 CGADMP c1ccc([C@H]2CCC[C@@H]([N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246633158 804464085 /nfs/dbraw/zinc/46/40/85/804464085.db2.gz DXKMTZDMBUETIS-INDMIFKZSA-N 2 1 284.447 3.397 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246633519 804464109 /nfs/dbraw/zinc/46/41/09/804464109.db2.gz YNOCPNQBMSXXFI-WMLDXEAASA-N 2 1 292.854 3.347 20 0 CGADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246633519 804464112 /nfs/dbraw/zinc/46/41/12/804464112.db2.gz YNOCPNQBMSXXFI-WMLDXEAASA-N 2 1 292.854 3.347 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246633517 804464235 /nfs/dbraw/zinc/46/42/35/804464235.db2.gz YNOCPNQBMSXXFI-RHSMWYFYSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246633517 804464240 /nfs/dbraw/zinc/46/42/40/804464240.db2.gz YNOCPNQBMSXXFI-RHSMWYFYSA-N 2 1 292.854 3.347 20 0 CGADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634492 804464453 /nfs/dbraw/zinc/46/44/53/804464453.db2.gz OAISZHJRZVIDHY-QAPCUYQASA-N 2 1 290.426 3.365 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633936 804464621 /nfs/dbraw/zinc/46/46/21/804464621.db2.gz FRDGSICGLDTGSO-FXUDXRNXSA-N 2 1 252.446 3.131 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633936 804464622 /nfs/dbraw/zinc/46/46/22/804464622.db2.gz FRDGSICGLDTGSO-FXUDXRNXSA-N 2 1 252.446 3.131 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246635871 804465984 /nfs/dbraw/zinc/46/59/84/804465984.db2.gz ANAABKXDLXQFBU-INIZCTEOSA-N 2 1 286.463 3.256 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C[C@@H](C)C1 ZINC001246641765 804468653 /nfs/dbraw/zinc/46/86/53/804468653.db2.gz FLQGRPIPABXJBQ-JJXSEGSLSA-N 2 1 250.430 3.029 20 0 CGADMP Cc1cc(N2CC[NH+](Cc3cc(F)ccc3C)CC2)cc[nH+]1 ZINC001140592297 804469509 /nfs/dbraw/zinc/46/95/09/804469509.db2.gz FQANZYPRPXRENX-UHFFFAOYSA-N 2 1 299.393 3.160 20 0 CGADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)C[C@@H]21 ZINC001246643464 804470274 /nfs/dbraw/zinc/47/02/74/804470274.db2.gz HCYZMNQRJXXCBP-YVSFHVDLSA-N 2 1 276.468 3.275 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246642840 804470796 /nfs/dbraw/zinc/47/07/96/804470796.db2.gz KWDLIQSSCUYVGT-INIZCTEOSA-N 2 1 282.472 3.046 20 0 CGADMP c1ccc([C@H]2CCC[C@H]([N@H+]3CC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246643718 804471077 /nfs/dbraw/zinc/47/10/77/804471077.db2.gz CPQFDSYGUNMSDN-XLAORIBOSA-N 2 1 270.420 3.007 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@]13CC[NH2+]C3)C2 ZINC001246645061 804471676 /nfs/dbraw/zinc/47/16/76/804471676.db2.gz ANNIZOLPHNHVIU-IRXDYDNUSA-N 2 1 290.838 3.025 20 0 CGADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]13CC[NH2+]C3)C2 ZINC001246645061 804471678 /nfs/dbraw/zinc/47/16/78/804471678.db2.gz ANNIZOLPHNHVIU-IRXDYDNUSA-N 2 1 290.838 3.025 20 0 CGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246644618 804472053 /nfs/dbraw/zinc/47/20/53/804472053.db2.gz RQFIGOUERITJIA-BFYDXBDKSA-N 2 1 264.457 3.419 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246646434 804473947 /nfs/dbraw/zinc/47/39/47/804473947.db2.gz DYWGOXRKUQCSEN-QAPCUYQASA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246646434 804473952 /nfs/dbraw/zinc/47/39/52/804473952.db2.gz DYWGOXRKUQCSEN-QAPCUYQASA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246646436 804474389 /nfs/dbraw/zinc/47/43/89/804474389.db2.gz DYWGOXRKUQCSEN-YJBOKZPZSA-N 2 1 272.436 3.008 20 0 CGADMP CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246646436 804474392 /nfs/dbraw/zinc/47/43/92/804474392.db2.gz DYWGOXRKUQCSEN-YJBOKZPZSA-N 2 1 272.436 3.008 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@H]3C[NH2+][C@H]3C2)CC1 ZINC001246648135 804475199 /nfs/dbraw/zinc/47/51/99/804475199.db2.gz OPMXUODVYNTEFN-YMPIPDKKSA-N 2 1 296.458 3.107 20 0 CGADMP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@H]3C[NH2+][C@H]3C2)CC1 ZINC001246648135 804475202 /nfs/dbraw/zinc/47/52/02/804475202.db2.gz OPMXUODVYNTEFN-YMPIPDKKSA-N 2 1 296.458 3.107 20 0 CGADMP C1[NH2+][C@H]2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)CC[C@@H]12 ZINC001246648664 804475565 /nfs/dbraw/zinc/47/55/65/804475565.db2.gz RKRIUXHLFVAAAG-JYJNAYRXSA-N 2 1 262.441 3.173 20 0 CGADMP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)C2 ZINC001246647924 804475925 /nfs/dbraw/zinc/47/59/25/804475925.db2.gz VRGPPVSCCBPJPF-VLVHBFOGSA-N 2 1 290.838 3.399 20 0 CGADMP [NH3+][C@]12C[C@H]1C[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)C2 ZINC001246647924 804475927 /nfs/dbraw/zinc/47/59/27/804475927.db2.gz VRGPPVSCCBPJPF-VLVHBFOGSA-N 2 1 290.838 3.399 20 0 CGADMP CC(C)COCC[C@@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649210 804477607 /nfs/dbraw/zinc/47/76/07/804477607.db2.gz AVHMTMRMWRZAMG-SJORKVTESA-N 2 1 282.472 3.046 20 0 CGADMP CCCC(CCC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246652947 804478935 /nfs/dbraw/zinc/47/89/35/804478935.db2.gz BAXCHTXMCCVITN-AAEUAGOBSA-N 2 1 278.362 3.039 20 0 CGADMP CCCCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246654031 804480648 /nfs/dbraw/zinc/48/06/48/804480648.db2.gz GVSWBTRBEINHIT-AVGNSLFASA-N 2 1 278.362 3.039 20 0 CGADMP C1C[C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]2C1 ZINC001246657242 804481957 /nfs/dbraw/zinc/48/19/57/804481957.db2.gz PQAXDDWLBVLQON-OAGGEKHMSA-N 2 1 262.441 3.031 20 0 CGADMP CCCC[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656336 804482190 /nfs/dbraw/zinc/48/21/90/804482190.db2.gz NMXYKIBWLUYMEX-AVGNSLFASA-N 2 1 278.362 3.039 20 0 CGADMP CC(C)=CCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656425 804482743 /nfs/dbraw/zinc/48/27/43/804482743.db2.gz NSYWKEWLCVYGKV-IHRRRGAJSA-N 2 1 290.373 3.205 20 0 CGADMP CCCCC[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246659469 804483420 /nfs/dbraw/zinc/48/34/20/804483420.db2.gz XKYNHUFCVSZPHA-IHRRRGAJSA-N 2 1 292.389 3.429 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661588 804485067 /nfs/dbraw/zinc/48/50/67/804485067.db2.gz GEPIVKBREZUTDQ-XJKCOSOUSA-N 2 1 294.439 3.120 20 0 CGADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246661588 804485070 /nfs/dbraw/zinc/48/50/70/804485070.db2.gz GEPIVKBREZUTDQ-XJKCOSOUSA-N 2 1 294.439 3.120 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001246664359 804487274 /nfs/dbraw/zinc/48/72/74/804487274.db2.gz MWJLUXVHOVMJHE-ZMSDIMECSA-N 2 1 290.476 3.289 20 0 CGADMP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001246664359 804487278 /nfs/dbraw/zinc/48/72/78/804487278.db2.gz MWJLUXVHOVMJHE-ZMSDIMECSA-N 2 1 290.476 3.289 20 0 CGADMP CCCCC[C@@H](CCC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246667677 804487808 /nfs/dbraw/zinc/48/78/08/804487808.db2.gz LVXBGKSEOGXUHW-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246667677 804487811 /nfs/dbraw/zinc/48/78/11/804487811.db2.gz LVXBGKSEOGXUHW-BZUAXINKSA-N 2 1 252.446 3.277 20 0 CGADMP CCC(C)(C)C1CCC([N@H+]2C[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001246670950 804489637 /nfs/dbraw/zinc/48/96/37/804489637.db2.gz GMXSIZQLFXYLQA-PRLABOORSA-N 2 1 264.457 3.275 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246677115 804491398 /nfs/dbraw/zinc/49/13/98/804491398.db2.gz GSAOUYLORRUSLW-ZBFHGGJFSA-N 2 1 252.446 3.133 20 0 CGADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246680034 804494067 /nfs/dbraw/zinc/49/40/67/804494067.db2.gz GLHPEIPZLLNGDX-CABCVRRESA-N 2 1 254.462 3.379 20 0 CGADMP CCCCC(CCCC)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246679544 804494834 /nfs/dbraw/zinc/49/48/34/804494834.db2.gz QYFHQGWNFXSWGV-CQSZACIVSA-N 2 1 252.446 3.277 20 0 CGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246693773 804499729 /nfs/dbraw/zinc/49/97/29/804499729.db2.gz QPRMWSDZFBMRNW-SJORKVTESA-N 2 1 284.463 3.471 20 0 CGADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246770278 804502463 /nfs/dbraw/zinc/50/24/63/804502463.db2.gz PKIRBXQFJBLYER-CABCVRRESA-N 2 1 266.816 3.302 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246774275 804504261 /nfs/dbraw/zinc/50/42/61/804504261.db2.gz FPDFHHNVODUYRX-ROUUACIJSA-N 2 1 274.452 3.459 20 0 CGADMP COc1ccc([C@H]2CCC[N@H+]2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246785037 804511468 /nfs/dbraw/zinc/51/14/68/804511468.db2.gz JPLOPUYHTKLCNO-HBUWYVDXSA-N 2 1 288.435 3.361 20 0 CGADMP CCC[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246787465 804512251 /nfs/dbraw/zinc/51/22/51/804512251.db2.gz CXOWJKZRAPHMPJ-GJZGRUSLSA-N 2 1 250.430 3.316 20 0 CGADMP CCCCC[C@@H](CCC)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246793198 804515508 /nfs/dbraw/zinc/51/55/08/804515508.db2.gz TUPQLQGSFVDKAO-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246792195 804515670 /nfs/dbraw/zinc/51/56/70/804515670.db2.gz OHUJYAQWOOOSAD-MYSGWJLTSA-N 2 1 286.419 3.115 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246792927 804516197 /nfs/dbraw/zinc/51/61/97/804516197.db2.gz SLILVPNCHOGMKB-KSZLIROESA-N 2 1 272.436 3.082 20 0 CGADMP CCc1ccc(C[C@@H](C)[N@H+](CC)C2CC[NH2+]CC2)cc1 ZINC001246795493 804516881 /nfs/dbraw/zinc/51/68/81/804516881.db2.gz BVGILXWJWUPBSU-OAHLLOKOSA-N 2 1 274.452 3.254 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[C@@H]1C ZINC001246793369 804517869 /nfs/dbraw/zinc/51/78/69/804517869.db2.gz YMJDZDGFTVSRGV-KLHDSHLOSA-N 2 1 250.430 3.029 20 0 CGADMP COc1cccc([C@@H]2CCCC[N@H+]2[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246799737 804520963 /nfs/dbraw/zinc/52/09/63/804520963.db2.gz ATPNONWXJJUHDS-HFTRVMKXSA-N 2 1 288.435 3.363 20 0 CGADMP C[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)[C@H](C)C1 ZINC001246808787 804526304 /nfs/dbraw/zinc/52/63/04/804526304.db2.gz DEINGAZSNXWNBF-WXLSXGNJSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246815661 804532141 /nfs/dbraw/zinc/53/21/41/804532141.db2.gz ZVUAFNXKCWDSHU-OLZOCXBDSA-N 2 1 298.883 3.362 20 0 CGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001246823252 804537663 /nfs/dbraw/zinc/53/76/63/804537663.db2.gz NHZITYDLERCRBA-DGCLKSJQSA-N 2 1 286.341 3.278 20 0 CGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(F)(F)F)CC[NH2+]1 ZINC001246823252 804537666 /nfs/dbraw/zinc/53/76/66/804537666.db2.gz NHZITYDLERCRBA-DGCLKSJQSA-N 2 1 286.341 3.278 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827902 804539257 /nfs/dbraw/zinc/53/92/57/804539257.db2.gz TVVKBUJXGMSBKI-SJORKVTESA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827902 804539262 /nfs/dbraw/zinc/53/92/62/804539262.db2.gz TVVKBUJXGMSBKI-SJORKVTESA-N 2 1 290.426 3.351 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC001246831265 804540774 /nfs/dbraw/zinc/54/07/74/804540774.db2.gz CSUGIOPXYOIMGJ-WCXIOVBPSA-N 2 1 264.457 3.418 20 0 CGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC001246831265 804540778 /nfs/dbraw/zinc/54/07/78/804540778.db2.gz CSUGIOPXYOIMGJ-WCXIOVBPSA-N 2 1 264.457 3.418 20 0 CGADMP CCCCCC[C@H](C)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246833500 804542469 /nfs/dbraw/zinc/54/24/69/804542469.db2.gz BGNVVSUDBJVECQ-INIZCTEOSA-N 2 1 284.488 3.436 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC001246836369 804543961 /nfs/dbraw/zinc/54/39/61/804543961.db2.gz XUJHBOXRRYDMRR-UAGQMJEPSA-N 2 1 276.399 3.146 20 0 CGADMP CCCCC[C@@H](CC)[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246835308 804544304 /nfs/dbraw/zinc/54/43/04/804544304.db2.gz ITZYFYLWSRIALG-MRXNPFEDSA-N 2 1 284.488 3.436 20 0 CGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839919 804548021 /nfs/dbraw/zinc/54/80/21/804548021.db2.gz LIHYZLZUFVKXKW-IRXDYDNUSA-N 2 1 278.415 3.424 20 0 CGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CC[NH2+]1 ZINC001246844433 804552596 /nfs/dbraw/zinc/55/25/96/804552596.db2.gz JGNYNFUCAGHIRH-KBAYOESNSA-N 2 1 272.436 3.397 20 0 CGADMP CCCCC[C@H](CCC)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246848827 804558587 /nfs/dbraw/zinc/55/85/87/804558587.db2.gz WTOWDSYMVDPXNH-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246848827 804558594 /nfs/dbraw/zinc/55/85/94/804558594.db2.gz WTOWDSYMVDPXNH-HNNXBMFYSA-N 2 1 282.472 3.188 20 0 CGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246849169 804560830 /nfs/dbraw/zinc/56/08/30/804560830.db2.gz ZEHNTACLGREZFP-QZTJIDSGSA-N 2 1 274.452 3.457 20 0 CGADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001246853368 804562504 /nfs/dbraw/zinc/56/25/04/804562504.db2.gz JSIYTLYLIUIZJK-ZBFHGGJFSA-N 2 1 278.415 3.078 20 0 CGADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn([C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246859686 804565300 /nfs/dbraw/zinc/56/53/00/804565300.db2.gz MOJBZLUUKBNWQT-HLLBOEOZSA-N 2 1 298.434 3.047 20 0 CGADMP C1C[C@@H](C2CCCCC2)[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246865815 804569912 /nfs/dbraw/zinc/56/99/12/804569912.db2.gz SKEZGZZUJREVBI-HZMVEIRTSA-N 2 1 262.441 3.029 20 0 CGADMP CC[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]1 ZINC001246870524 804572104 /nfs/dbraw/zinc/57/21/04/804572104.db2.gz LSBIIWXDVDGDPS-CVEARBPZSA-N 2 1 272.436 3.310 20 0 CGADMP C[C@H]1C[C@H]([N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)CC[NH2+]1 ZINC001246871956 804573617 /nfs/dbraw/zinc/57/36/17/804573617.db2.gz SBKQNQSRBUHDJQ-HEHGZKQESA-N 2 1 292.854 3.442 20 0 CGADMP CC[C@@H]1C[C@@H]([NH+]2CC3CCC(CC3)C2)C[C@H](CC)[NH2+]1 ZINC001246882330 804578697 /nfs/dbraw/zinc/57/86/97/804578697.db2.gz MTSMWKWONXSQHT-BOXKHOIUSA-N 2 1 264.457 3.418 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001246888019 804581491 /nfs/dbraw/zinc/58/14/91/804581491.db2.gz QCNZDKVRAMVDPC-WFASDCNBSA-N 2 1 266.816 3.475 20 0 CGADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001246888019 804581496 /nfs/dbraw/zinc/58/14/96/804581496.db2.gz QCNZDKVRAMVDPC-WFASDCNBSA-N 2 1 266.816 3.475 20 0 CGADMP CSc1ccccc1[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246888861 804581750 /nfs/dbraw/zinc/58/17/50/804581750.db2.gz PSFYJULPXVKKBY-OAHLLOKOSA-N 2 1 276.449 3.297 20 0 CGADMP CCC[N@@H+]([C@H]1Cc2cccc(Cl)c2C1)C1CC[NH2+]CC1 ZINC001246893616 804585435 /nfs/dbraw/zinc/58/54/35/804585435.db2.gz LDDNURNBRRHCFK-HNNXBMFYSA-N 2 1 292.854 3.271 20 0 CGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246901545 804588381 /nfs/dbraw/zinc/58/83/81/804588381.db2.gz NYLFGXZXXBAKOX-WFASDCNBSA-N 2 1 266.816 3.302 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001246920946 804600133 /nfs/dbraw/zinc/60/01/33/804600133.db2.gz PNJWGIAQUSHUOU-CTWPCTMYSA-N 2 1 286.463 3.315 20 0 CGADMP CCCCCC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922672 804602868 /nfs/dbraw/zinc/60/28/68/804602868.db2.gz WITRDEKEUSNPLG-KNIAUWFNSA-N 2 1 250.430 3.029 20 0 CGADMP CCCCCC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922672 804602871 /nfs/dbraw/zinc/60/28/71/804602871.db2.gz WITRDEKEUSNPLG-KNIAUWFNSA-N 2 1 250.430 3.029 20 0 CGADMP CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246925337 804603933 /nfs/dbraw/zinc/60/39/33/804603933.db2.gz WXJLOPVGBYOEMU-MRXNPFEDSA-N 2 1 290.451 3.090 20 0 CGADMP C[NH2+]CC[C@H](C)[N@@H+](CCCCCCO)Cc1ccccc1 ZINC001246925749 804604037 /nfs/dbraw/zinc/60/40/37/804604037.db2.gz PKXJIZJLYRUTFX-KRWDZBQOSA-N 2 1 292.467 3.039 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246934237 804606921 /nfs/dbraw/zinc/60/69/21/804606921.db2.gz AOTDKNBJKRKBKC-CGTJXYLNSA-N 2 1 294.483 3.188 20 0 CGADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246943963 804612008 /nfs/dbraw/zinc/61/20/08/804612008.db2.gz SOAQEZONCBZBLL-GUYCJALGSA-N 2 1 292.854 3.129 20 0 CGADMP C1CC2(C1)CCC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246942450 804612120 /nfs/dbraw/zinc/61/21/20/804612120.db2.gz OIZWUPLXIKXJRH-UHFFFAOYSA-N 2 1 262.441 3.175 20 0 CGADMP C[N@@H+]([C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC2(CCCCC2)CC1 ZINC001246947487 804614519 /nfs/dbraw/zinc/61/45/19/804614519.db2.gz KUPGKSXELYVCDF-ZSHCYNCHSA-N 2 1 262.441 3.029 20 0 CGADMP CCCC(CCC)[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246952089 804615725 /nfs/dbraw/zinc/61/57/25/804615725.db2.gz XXAQADYKKILVMZ-UHFFFAOYSA-N 2 1 270.461 3.046 20 0 CGADMP CC[C@@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246952043 804616671 /nfs/dbraw/zinc/61/66/71/804616671.db2.gz QWUBBEOEUPJGJS-CQSZACIVSA-N 2 1 278.415 3.487 20 0 CGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246973063 804622566 /nfs/dbraw/zinc/62/25/66/804622566.db2.gz FFNHSMVUYYZNPZ-AWEZNQCLSA-N 2 1 290.426 3.363 20 0 CGADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCCCCC1 ZINC001246978237 804626001 /nfs/dbraw/zinc/62/60/01/804626001.db2.gz VNNWXSZJKPQPQE-OAHLLOKOSA-N 2 1 252.446 3.421 20 0 CGADMP c1ccc(CC[C@H]2CCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246981071 804627877 /nfs/dbraw/zinc/62/78/77/804627877.db2.gz UDRNMXHPWWGNNV-RTBURBONSA-N 2 1 298.474 3.473 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246989998 804630236 /nfs/dbraw/zinc/63/02/36/804630236.db2.gz SRFAWAMOCVJPNS-BFYDXBDKSA-N 2 1 258.409 3.272 20 0 CGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246989998 804630241 /nfs/dbraw/zinc/63/02/41/804630241.db2.gz SRFAWAMOCVJPNS-BFYDXBDKSA-N 2 1 258.409 3.272 20 0 CGADMP CCCCC[C@H](CCC)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246992185 804631825 /nfs/dbraw/zinc/63/18/25/804631825.db2.gz YFFBRCIRMAMBEC-KRWDZBQOSA-N 2 1 297.531 3.351 20 0 CGADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013140 804641557 /nfs/dbraw/zinc/64/15/57/804641557.db2.gz FZMULPPMANLYFB-GUDVDZBRSA-N 2 1 286.463 3.472 20 0 CGADMP C1C[NH2+][C@H]2CC[N@@H+](C3CCCCCCC3)C[C@H]2C1 ZINC001247016163 804642844 /nfs/dbraw/zinc/64/28/44/804642844.db2.gz SCGVCPBLAWWNRA-ZBFHGGJFSA-N 2 1 250.430 3.173 20 0 CGADMP C1C[NH2+][C@H]2CC[N@H+](C3CCCCCCC3)C[C@H]2C1 ZINC001247016163 804642850 /nfs/dbraw/zinc/64/28/50/804642850.db2.gz SCGVCPBLAWWNRA-ZBFHGGJFSA-N 2 1 250.430 3.173 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)cc(OC)cc1C ZINC001142949410 804789023 /nfs/dbraw/zinc/78/90/23/804789023.db2.gz JSZYYOUIOVTAAM-UHFFFAOYSA-N 2 1 292.467 3.476 20 0 CGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c2cc[nH]c21 ZINC001248818605 805006226 /nfs/dbraw/zinc/00/62/26/805006226.db2.gz SUNBRJIMPVCLOB-UHFFFAOYSA-N 2 1 277.387 3.081 20 0 CGADMP CCSc1ccccc1C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001249440564 805150315 /nfs/dbraw/zinc/15/03/15/805150315.db2.gz SPDWZNDLKQNIGA-HOTGVXAUSA-N 2 1 290.476 3.182 20 0 CGADMP c1cc(C2CC2)cc(NCc2ccc3c(c2)CC[NH2+]C3)[nH+]1 ZINC001155267925 805564371 /nfs/dbraw/zinc/56/43/71/805564371.db2.gz HBMBSPKFYKNNFE-UHFFFAOYSA-N 2 1 279.387 3.217 20 0 CGADMP C[C@@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC1(F)F ZINC001256855566 806992422 /nfs/dbraw/zinc/99/24/22/806992422.db2.gz PEGUDWOAWYXHSD-CYBMUJFWSA-N 2 1 295.377 3.028 20 0 CGADMP c1cc(N2CCC([N@H+]3CCC[C@H]4CCC[C@@H]43)CC2)cc[nH+]1 ZINC001256860891 806992987 /nfs/dbraw/zinc/99/29/87/806992987.db2.gz HIUPJGXNKLQSPQ-QAPCUYQASA-N 2 1 285.435 3.315 20 0 CGADMP C[C@@H]1CCC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC001256861233 806993530 /nfs/dbraw/zinc/99/35/30/806993530.db2.gz TVPLVODVESPZFY-HUUCEWRRSA-N 2 1 273.424 3.171 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](C(C)C)CC2)cn1 ZINC001257222259 807065703 /nfs/dbraw/zinc/06/57/03/807065703.db2.gz ZOUXORFANIFJRT-SFHVURJKSA-N 2 1 287.451 3.400 20 0 CGADMP Cc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C(C)C)CC2)cn1 ZINC001257222259 807065715 /nfs/dbraw/zinc/06/57/15/807065715.db2.gz ZOUXORFANIFJRT-SFHVURJKSA-N 2 1 287.451 3.400 20 0 CGADMP Cc1ccc2c(C)cc(N3CCC([NH3+])CC3)[nH+]c2c1C ZINC001166666433 807076538 /nfs/dbraw/zinc/07/65/38/807076538.db2.gz YQMUVGKILRYRMG-UHFFFAOYSA-N 2 1 269.392 3.088 20 0 CGADMP CCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001257311566 807099640 /nfs/dbraw/zinc/09/96/40/807099640.db2.gz NCPMTRSGJOHECV-CYBMUJFWSA-N 2 1 264.388 3.264 20 0 CGADMP CC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001257446497 807160516 /nfs/dbraw/zinc/16/05/16/807160516.db2.gz NJOCWEWSDHBVCP-CGTJXYLNSA-N 2 1 272.436 3.239 20 0 CGADMP [NH3+]C1(c2cccc(F)c2)CC[NH+](C2CCCCC2)CC1 ZINC001257452731 807164608 /nfs/dbraw/zinc/16/46/08/807164608.db2.gz LLJNYVZDSYGAEX-UHFFFAOYSA-N 2 1 276.399 3.408 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001257477043 807174645 /nfs/dbraw/zinc/17/46/45/807174645.db2.gz ICXMFQRQGGZBMX-HZMVEIRTSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001257477043 807174649 /nfs/dbraw/zinc/17/46/49/807174649.db2.gz ICXMFQRQGGZBMX-HZMVEIRTSA-N 2 1 266.473 3.475 20 0 CGADMP CCC[C@H](C)CC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001257477043 807174650 /nfs/dbraw/zinc/17/46/50/807174650.db2.gz ICXMFQRQGGZBMX-HZMVEIRTSA-N 2 1 266.473 3.475 20 0 CGADMP CCCCC[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001257504012 807183929 /nfs/dbraw/zinc/18/39/29/807183929.db2.gz HREHXXILCMSHBQ-OAHLLOKOSA-N 3 1 285.520 3.431 20 0 CGADMP C[C@@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C(C)(C)C ZINC001167510051 807201213 /nfs/dbraw/zinc/20/12/13/807201213.db2.gz SXIZTSSWCWQAHX-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001167510051 807201218 /nfs/dbraw/zinc/20/12/18/807201218.db2.gz SXIZTSSWCWQAHX-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP C[C@@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001167510051 807201225 /nfs/dbraw/zinc/20/12/25/807201225.db2.gz SXIZTSSWCWQAHX-LSDHHAIUSA-N 2 1 254.462 3.475 20 0 CGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC001257657809 807205252 /nfs/dbraw/zinc/20/52/52/807205252.db2.gz PUFGARIZKWUSQR-JKSUJKDBSA-N 2 1 278.465 3.165 20 0 CGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)Cc1cccs1 ZINC001167607996 807215385 /nfs/dbraw/zinc/21/53/85/807215385.db2.gz HGFPBMOLROZVKW-AWEZNQCLSA-N 2 1 268.470 3.343 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001167838100 807258849 /nfs/dbraw/zinc/25/88/49/807258849.db2.gz PWRLXTQRJHTLPC-OWCLPIDISA-N 2 1 254.462 3.475 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)CCc2cccc(F)c2)CC1 ZINC001258018755 807265777 /nfs/dbraw/zinc/26/57/77/807265777.db2.gz SUPFEINTGLFUPA-UHFFFAOYSA-N 2 1 292.442 3.420 20 0 CGADMP CC1(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167971219 807288382 /nfs/dbraw/zinc/28/83/82/807288382.db2.gz SVNHTEPDCMWABE-VHRNVKJDSA-N 2 1 262.441 3.170 20 0 CGADMP c1cnc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966469 807288570 /nfs/dbraw/zinc/28/85/70/807288570.db2.gz WBCZMXIWWUSQNU-FBVQUNGASA-N 2 1 297.446 3.064 20 0 CGADMP c1cnc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966469 807288573 /nfs/dbraw/zinc/28/85/73/807288573.db2.gz WBCZMXIWWUSQNU-FBVQUNGASA-N 2 1 297.446 3.064 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006381 807299282 /nfs/dbraw/zinc/29/92/82/807299282.db2.gz NPBFACNPYXRQBF-XHHISWJOSA-N 2 1 272.436 3.426 20 0 CGADMP C[N@H+](CCC1CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147971 807320282 /nfs/dbraw/zinc/32/02/82/807320282.db2.gz WPAYRWAWOLMTGS-UHFFFAOYSA-N 2 1 286.463 3.425 20 0 CGADMP C[N@@H+](CCC1CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147971 807320286 /nfs/dbraw/zinc/32/02/86/807320286.db2.gz WPAYRWAWOLMTGS-UHFFFAOYSA-N 2 1 286.463 3.425 20 0 CGADMP C[C@H]1CC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C[C@H](C)C1 ZINC001258153774 807323407 /nfs/dbraw/zinc/32/34/07/807323407.db2.gz MPZYTVCPZCLRKC-VDERGJSUSA-N 2 1 252.446 3.274 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001168182981 807336968 /nfs/dbraw/zinc/33/69/68/807336968.db2.gz MCBAMSMISQSNGP-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001168182981 807336978 /nfs/dbraw/zinc/33/69/78/807336978.db2.gz MCBAMSMISQSNGP-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001168182981 807336985 /nfs/dbraw/zinc/33/69/85/807336985.db2.gz MCBAMSMISQSNGP-BMFZPTHFSA-N 2 1 292.854 3.155 20 0 CGADMP C[C@H]1C[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C[C@@H](C)C1 ZINC001258169633 807337291 /nfs/dbraw/zinc/33/72/91/807337291.db2.gz BKJYPXJTDDBHBZ-ZSHCYNCHSA-N 2 1 252.446 3.229 20 0 CGADMP Cc1cccc(N([C@@H](C)Cc2ccco2)C2CC[NH2+]CC2)[nH+]1 ZINC001258196894 807357621 /nfs/dbraw/zinc/35/76/21/807357621.db2.gz GPQBWKZQYMCHGF-HNNXBMFYSA-N 2 1 299.418 3.173 20 0 CGADMP CSCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001258199598 807359623 /nfs/dbraw/zinc/35/96/23/807359623.db2.gz IQULGNVUUMMGRZ-DOTOQJQBSA-N 2 1 292.492 3.240 20 0 CGADMP C[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC001168315536 807380667 /nfs/dbraw/zinc/38/06/67/807380667.db2.gz YBOAQXYBYKAEMR-QVOMUQBLSA-N 2 1 252.446 3.227 20 0 CGADMP C[C@H]1CCCCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168379660 807395826 /nfs/dbraw/zinc/39/58/26/807395826.db2.gz NIVSBUYUMAAEOO-AWEZNQCLSA-N 2 1 250.430 3.125 20 0 CGADMP C[N@@H+](C1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168372400 807397106 /nfs/dbraw/zinc/39/71/06/807397106.db2.gz WLCRVUDEWLFHOW-UHFFFAOYSA-N 2 1 250.430 3.125 20 0 CGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001258290035 807398570 /nfs/dbraw/zinc/39/85/70/807398570.db2.gz RAWZPMGJUUHHQB-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001258290035 807398574 /nfs/dbraw/zinc/39/85/74/807398574.db2.gz RAWZPMGJUUHHQB-OAHLLOKOSA-N 2 1 252.446 3.371 20 0 CGADMP FC(F)(F)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168380953 807400075 /nfs/dbraw/zinc/40/00/75/807400075.db2.gz VNPKOZPZKRGLEY-ZDUSSCGKSA-N 2 1 290.373 3.135 20 0 CGADMP FC(F)(F)[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168380953 807400078 /nfs/dbraw/zinc/40/00/78/807400078.db2.gz VNPKOZPZKRGLEY-ZDUSSCGKSA-N 2 1 290.373 3.135 20 0 CGADMP C[C@H](CC1CC1)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001258461872 807465329 /nfs/dbraw/zinc/46/53/29/807465329.db2.gz QCSAVEWMOQIPFE-FVQBIDKESA-N 2 1 290.476 3.300 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168684101 807477733 /nfs/dbraw/zinc/47/77/33/807477733.db2.gz FLAPMQXHKGXTGK-APIJFGDWSA-N 2 1 290.838 3.022 20 0 CGADMP CCCC1CCC([N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)CC1 ZINC001258533640 807488877 /nfs/dbraw/zinc/48/88/77/807488877.db2.gz DHSLYJAMOHGJQH-ODZFXCKXSA-N 2 1 264.457 3.371 20 0 CGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2cccnc2)CC1 ZINC001258630461 807517775 /nfs/dbraw/zinc/51/77/75/807517775.db2.gz AMKUCHATPSVUON-MRXNPFEDSA-N 2 1 289.467 3.209 20 0 CGADMP CCC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001258651247 807523250 /nfs/dbraw/zinc/52/32/50/807523250.db2.gz LSQJDSNQZGPOLV-MSOLQXFVSA-N 2 1 274.452 3.472 20 0 CGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1)CC(C)C ZINC001169049003 807559026 /nfs/dbraw/zinc/55/90/26/807559026.db2.gz DUJVDLBGVZFZHI-GOSISDBHSA-N 2 1 285.435 3.439 20 0 CGADMP CCCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258708448 807561615 /nfs/dbraw/zinc/56/16/15/807561615.db2.gz XUWNKHKDXPEWQH-RDJZCZTQSA-N 2 1 262.441 3.315 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258713385 807564293 /nfs/dbraw/zinc/56/42/93/807564293.db2.gz HQJAOXRXEOZKGS-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP CCCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258713385 807564298 /nfs/dbraw/zinc/56/42/98/807564298.db2.gz HQJAOXRXEOZKGS-CEXWTWQISA-N 2 1 286.463 3.281 20 0 CGADMP Cc1cc2cc(C[NH3+])ccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080342 807568850 /nfs/dbraw/zinc/56/88/50/807568850.db2.gz MSBCQRXHQKEMCS-BJWYYQGGSA-N 2 1 283.419 3.206 20 0 CGADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081627 807568944 /nfs/dbraw/zinc/56/89/44/807568944.db2.gz UKWITCBNQOYLFU-OWLYRPNTSA-N 2 1 272.436 3.223 20 0 CGADMP Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092848 807571787 /nfs/dbraw/zinc/57/17/87/807571787.db2.gz DDKZTAZXCNQTQZ-BJWYYQGGSA-N 2 1 297.446 3.249 20 0 CGADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169094922 807574458 /nfs/dbraw/zinc/57/44/58/807574458.db2.gz NOVIMAGQCZCPHH-YYIAUSFCSA-N 2 1 258.409 3.353 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169099095 807575524 /nfs/dbraw/zinc/57/55/24/807575524.db2.gz NDXBELWPQBDHHO-BQDHKBFISA-N 2 1 262.372 3.102 20 0 CGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C2 ZINC001169118050 807582894 /nfs/dbraw/zinc/58/28/94/807582894.db2.gz CKWPPPDQNXEKJT-SYQHCUMBSA-N 2 1 272.383 3.027 20 0 CGADMP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169123854 807584440 /nfs/dbraw/zinc/58/44/40/807584440.db2.gz KVKIHOKUWBMKHH-ZBFHGGJFSA-N 2 1 264.457 3.419 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cncc(Cl)c1 ZINC001169123732 807585398 /nfs/dbraw/zinc/58/53/98/807585398.db2.gz MQYCZZXKRYUQQT-QPKOPYBWSA-N 2 1 279.815 3.011 20 0 CGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncc(Cl)c1 ZINC001169123732 807585404 /nfs/dbraw/zinc/58/54/04/807585404.db2.gz MQYCZZXKRYUQQT-QPKOPYBWSA-N 2 1 279.815 3.011 20 0 CGADMP CC[N@@H+](Cc1cccs1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155510 807595732 /nfs/dbraw/zinc/59/57/32/807595732.db2.gz QBJXGBLVDWXKAA-BTTYYORXSA-N 2 1 264.438 3.195 20 0 CGADMP CC[NH+](Cc1cccs1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155510 807595735 /nfs/dbraw/zinc/59/57/35/807595735.db2.gz QBJXGBLVDWXKAA-BTTYYORXSA-N 2 1 264.438 3.195 20 0 CGADMP CC[NH+](Cc1cccs1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155510 807595737 /nfs/dbraw/zinc/59/57/37/807595737.db2.gz QBJXGBLVDWXKAA-BTTYYORXSA-N 2 1 264.438 3.195 20 0 CGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258781719 807608849 /nfs/dbraw/zinc/60/88/49/807608849.db2.gz ZPTLNVYEQNHELJ-GVRJEKJASA-N 2 1 252.446 3.416 20 0 CGADMP CC[NH+]1CCC([NH2+]C2(c3ccc(OC)cc3)CCC2)CC1 ZINC001169238731 807612155 /nfs/dbraw/zinc/61/21/55/807612155.db2.gz LSGRAHLIZXGDSS-UHFFFAOYSA-N 2 1 288.435 3.148 20 0 CGADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001258840439 807652535 /nfs/dbraw/zinc/65/25/35/807652535.db2.gz UKRFLMNYTBAPEJ-DZOHQFGASA-N 2 1 272.436 3.080 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001258908096 807672949 /nfs/dbraw/zinc/67/29/49/807672949.db2.gz RCGRXVMSWMTJPD-ZIAGYGMSSA-N 2 1 276.415 3.474 20 0 CGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001258910860 807673817 /nfs/dbraw/zinc/67/38/17/807673817.db2.gz WZNWHESPEBTJBV-KFWWJZLASA-N 2 1 288.426 3.474 20 0 CGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1csc(C(C)C)n1 ZINC001261506359 807753240 /nfs/dbraw/zinc/75/32/40/807753240.db2.gz PSOJDXBEMUASSY-UHFFFAOYSA-N 2 1 289.448 3.276 20 0 CGADMP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001170117370 807764313 /nfs/dbraw/zinc/76/43/13/807764313.db2.gz KUTJNXWAFGTDIW-CJNGLKHVSA-N 2 1 276.399 3.264 20 0 CGADMP C[C@@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170118473 807765663 /nfs/dbraw/zinc/76/56/63/807765663.db2.gz SNYKQPOBOGBMST-MIGQKNRLSA-N 2 1 250.430 3.157 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CCO1 ZINC001170191874 807790278 /nfs/dbraw/zinc/79/02/78/807790278.db2.gz BZJVSWYEBSDXGJ-BZSNNMDCSA-N 2 1 294.483 3.188 20 0 CGADMP CC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CCO1 ZINC001170191874 807790282 /nfs/dbraw/zinc/79/02/82/807790282.db2.gz BZJVSWYEBSDXGJ-BZSNNMDCSA-N 2 1 294.483 3.188 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170753412 807898146 /nfs/dbraw/zinc/89/81/46/807898146.db2.gz PPZJINFKRTZGOE-PHZGNYQRSA-N 2 1 299.462 3.363 20 0 CGADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170947751 807941503 /nfs/dbraw/zinc/94/15/03/807941503.db2.gz ATEUDQGCJHLEGF-KRWDZBQOSA-N 2 1 298.405 3.144 20 0 CGADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170947751 807941507 /nfs/dbraw/zinc/94/15/07/807941507.db2.gz ATEUDQGCJHLEGF-KRWDZBQOSA-N 2 1 298.405 3.144 20 0 CGADMP CCc1ccccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554830 808093875 /nfs/dbraw/zinc/09/38/75/808093875.db2.gz OZYPHONJEREPKV-UHFFFAOYSA-N 2 1 295.430 3.356 20 0 CGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171578638 808104148 /nfs/dbraw/zinc/10/41/48/808104148.db2.gz LXEQEZCTAFCSRZ-SFHVURJKSA-N 2 1 286.463 3.268 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccsc2)CC1(C)C ZINC001171613308 808105182 /nfs/dbraw/zinc/10/51/82/808105182.db2.gz IRISDOWWGBZPNW-UHFFFAOYSA-N 2 1 266.454 3.489 20 0 CGADMP COc1ccccc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171617554 808105642 /nfs/dbraw/zinc/10/56/42/808105642.db2.gz NGTNXKGGWHYBSE-UHFFFAOYSA-N 2 1 290.451 3.436 20 0 CGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H](CO)c2cccs2)CC1(C)C ZINC001171622872 808106916 /nfs/dbraw/zinc/10/69/16/808106916.db2.gz AWCUSQASUKMFJQ-ZDUSSCGKSA-N 2 1 296.480 3.023 20 0 CGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(C2)CCCCO3)CC1(C)C ZINC001171631324 808107482 /nfs/dbraw/zinc/10/74/82/808107482.db2.gz GQBVCPITESTYMY-SFHVURJKSA-N 2 1 294.483 3.283 20 0 CGADMP CO[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC001171644811 808111333 /nfs/dbraw/zinc/11/13/33/808111333.db2.gz PDKRYZRMOWCGCN-HIFRSBDPSA-N 2 1 282.472 3.137 20 0 CGADMP CC1(C)C[C@@H]([NH2+]CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171966160 808161388 /nfs/dbraw/zinc/16/13/88/808161388.db2.gz SQINBWKIKFBYEO-KRWDZBQOSA-N 2 1 272.436 3.429 20 0 CGADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967421 808161957 /nfs/dbraw/zinc/16/19/57/808161957.db2.gz ZQHGOTUJBIHYEL-PVAVHDDUSA-N 2 1 272.436 3.428 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3ncccc31)C2 ZINC001172104251 808173499 /nfs/dbraw/zinc/17/34/99/808173499.db2.gz BHRLXHNHFLAUQI-BASYENTBSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3ncccc31)C2 ZINC001172104251 808173502 /nfs/dbraw/zinc/17/35/02/808173502.db2.gz BHRLXHNHFLAUQI-BASYENTBSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3ncccc31)C2 ZINC001172104250 808174116 /nfs/dbraw/zinc/17/41/16/808174116.db2.gz BHRLXHNHFLAUQI-AFIMGQEJSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3ncccc31)C2 ZINC001172104250 808174119 /nfs/dbraw/zinc/17/41/19/808174119.db2.gz BHRLXHNHFLAUQI-AFIMGQEJSA-N 2 1 285.435 3.064 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C2 ZINC001172104324 808174545 /nfs/dbraw/zinc/17/45/45/808174545.db2.gz DXCJVWBMTPKWPL-ILOCAZANSA-N 2 1 270.420 3.147 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C2 ZINC001172104324 808174551 /nfs/dbraw/zinc/17/45/51/808174551.db2.gz DXCJVWBMTPKWPL-ILOCAZANSA-N 2 1 270.420 3.147 20 0 CGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC1(C)C)C2 ZINC001172112458 808178109 /nfs/dbraw/zinc/17/81/09/808178109.db2.gz XDEMUNHKICQMPV-APIJFGDWSA-N 2 1 250.430 3.170 20 0 CGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC1(C)C)C2 ZINC001172112458 808178114 /nfs/dbraw/zinc/17/81/14/808178114.db2.gz XDEMUNHKICQMPV-APIJFGDWSA-N 2 1 250.430 3.170 20 0 CGADMP Cc1ccnc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172109496 808178157 /nfs/dbraw/zinc/17/81/57/808178157.db2.gz DNFUGNCCRJOQRE-OSYLJGHBSA-N 2 1 299.462 3.027 20 0 CGADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001172121468 808183547 /nfs/dbraw/zinc/18/35/47/808183547.db2.gz JRMGCGPJHVAAMA-SUJAAXHWSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001172121468 808183543 /nfs/dbraw/zinc/18/35/43/808183543.db2.gz JRMGCGPJHVAAMA-SUJAAXHWSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC001172121468 808183548 /nfs/dbraw/zinc/18/35/48/808183548.db2.gz JRMGCGPJHVAAMA-SUJAAXHWSA-N 2 1 250.430 3.122 20 0 CGADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC001172121468 808183551 /nfs/dbraw/zinc/18/35/51/808183551.db2.gz JRMGCGPJHVAAMA-SUJAAXHWSA-N 2 1 250.430 3.122 20 0 CGADMP COc1cccc2c1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172127993 808185586 /nfs/dbraw/zinc/18/55/86/808185586.db2.gz NDJWXCGDPKMANU-ZSHCYNCHSA-N 2 1 286.419 3.026 20 0 CGADMP COc1cccc2c1C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172127993 808185589 /nfs/dbraw/zinc/18/55/89/808185589.db2.gz NDJWXCGDPKMANU-ZSHCYNCHSA-N 2 1 286.419 3.026 20 0 CGADMP COc1cccc2c1C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172127993 808185591 /nfs/dbraw/zinc/18/55/91/808185591.db2.gz NDJWXCGDPKMANU-ZSHCYNCHSA-N 2 1 286.419 3.026 20 0 CGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172189093 808193188 /nfs/dbraw/zinc/19/31/88/808193188.db2.gz ZNZFHDUGJQHPPA-JYJNAYRXSA-N 2 1 290.476 3.166 20 0 CGADMP C[N@@H+]([C@H]1COC(C)(C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001172295948 808218753 /nfs/dbraw/zinc/21/87/53/808218753.db2.gz UNRAQESWACNUEC-QGZVFWFLSA-N 2 1 294.483 3.283 20 0 CGADMP CC(C)OCC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436770 808312580 /nfs/dbraw/zinc/31/25/80/808312580.db2.gz IBWBFJWDBSOMKR-BFYDXBDKSA-N 2 1 282.472 3.314 20 0 CGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)CCOCC(C)C ZINC001172457178 808327423 /nfs/dbraw/zinc/32/74/23/808327423.db2.gz MBJBFWVYOIWFEZ-INIZCTEOSA-N 2 1 272.477 3.149 20 0 CGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)CCOCC(C)C ZINC001172457178 808327432 /nfs/dbraw/zinc/32/74/32/808327432.db2.gz MBJBFWVYOIWFEZ-INIZCTEOSA-N 2 1 272.477 3.149 20 0 CGADMP CC(C)COCC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172466849 808335757 /nfs/dbraw/zinc/33/57/57/808335757.db2.gz GUDQPWYFUAALID-KBAYOESNSA-N 2 1 296.499 3.420 20 0 CGADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001172468936 808337030 /nfs/dbraw/zinc/33/70/30/808337030.db2.gz RHBPWPJUTWSPJE-IXDOHACOSA-N 2 1 284.488 3.146 20 0 CGADMP CC(C)COCC[C@@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172471484 808338291 /nfs/dbraw/zinc/33/82/91/808338291.db2.gz KWOQGOXBQGJNQD-SJORKVTESA-N 2 1 284.488 3.279 20 0 CGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537868 808371422 /nfs/dbraw/zinc/37/14/22/808371422.db2.gz WWRCZNQEESYMMS-OIISXLGYSA-N 2 1 260.425 3.239 20 0 CGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545493 808376324 /nfs/dbraw/zinc/37/63/24/808376324.db2.gz CEEVNSVOZCPNAE-SJORKVTESA-N 2 1 260.425 3.382 20 0 CGADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172559084 808387488 /nfs/dbraw/zinc/38/74/88/808387488.db2.gz WIFKCVMQPCQQNE-CVEARBPZSA-N 2 1 269.392 3.283 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@H+](CC[NH3+])Cc1ccccc1)CC2 ZINC001172824377 808446892 /nfs/dbraw/zinc/44/68/92/808446892.db2.gz VZBZEQRGKZLWPK-FQEVSTJZSA-N 2 1 294.442 3.313 20 0 CGADMP Cc1ccc2c(c1)C[C@@H]([N@@H+](CC[NH3+])Cc1ccccc1)CC2 ZINC001172824377 808446896 /nfs/dbraw/zinc/44/68/96/808446896.db2.gz VZBZEQRGKZLWPK-FQEVSTJZSA-N 2 1 294.442 3.313 20 0 CGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839825 808454515 /nfs/dbraw/zinc/45/45/15/808454515.db2.gz VHBFIQBDLFKVRY-HSALFYBXSA-N 2 1 298.474 3.126 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839825 808454521 /nfs/dbraw/zinc/45/45/21/808454521.db2.gz VHBFIQBDLFKVRY-HSALFYBXSA-N 2 1 298.474 3.126 20 0 CGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839825 808454527 /nfs/dbraw/zinc/45/45/27/808454527.db2.gz VHBFIQBDLFKVRY-HSALFYBXSA-N 2 1 298.474 3.126 20 0 CGADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001172934815 808488341 /nfs/dbraw/zinc/48/83/41/808488341.db2.gz BZUIMPVFFXQMQK-RCCFBDPRSA-N 2 1 294.483 3.284 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)CC1 ZINC001173108294 808511722 /nfs/dbraw/zinc/51/17/22/808511722.db2.gz ARDKFZUENCIHPS-CPFNUKBASA-N 2 1 296.499 3.122 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@](C)(O)[C@H](C)C2)CC1 ZINC001173108343 808511877 /nfs/dbraw/zinc/51/18/77/808511877.db2.gz CHPWEEYCLWMYNE-AQEOSJORSA-N 2 1 296.499 3.122 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001173109680 808512361 /nfs/dbraw/zinc/51/23/61/808512361.db2.gz JJOGWIVIXCUGBV-UYSNPLJNSA-N 2 1 270.436 3.463 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ncsc3C2)CC1 ZINC001173114240 808513059 /nfs/dbraw/zinc/51/30/59/808513059.db2.gz CZTKHUJDBVXUDC-UHFFFAOYSA-N 2 1 293.480 3.154 20 0 CGADMP CC[NH+](CC)C1CCC([N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC001173114295 808513281 /nfs/dbraw/zinc/51/32/81/808513281.db2.gz FGGVVQWVPRLDBU-OFLPRAFFSA-N 2 1 282.472 3.140 20 0 CGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ccncc3C2)CC1 ZINC001173114397 808513848 /nfs/dbraw/zinc/51/38/48/808513848.db2.gz IPNBOCORDCJMKL-UHFFFAOYSA-N 2 1 287.451 3.093 20 0 CGADMP CCc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC001173239520 808547452 /nfs/dbraw/zinc/54/74/52/808547452.db2.gz QTVDAPBTFQQDBE-HNNXBMFYSA-N 2 1 274.452 3.254 20 0 CGADMP CCc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC001173242571 808550946 /nfs/dbraw/zinc/55/09/46/808550946.db2.gz WEXMQNYLFFBHJB-CRAIPNDOSA-N 2 1 274.452 3.254 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001173251344 808558038 /nfs/dbraw/zinc/55/80/38/808558038.db2.gz AXXFFNPBYBWKPM-KRWDZBQOSA-N 3 1 285.520 3.194 20 0 CGADMP CCCC[C@@H](CC(C)C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001173251344 808558045 /nfs/dbraw/zinc/55/80/45/808558045.db2.gz AXXFFNPBYBWKPM-KRWDZBQOSA-N 3 1 285.520 3.194 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001173273593 808577028 /nfs/dbraw/zinc/57/70/28/808577028.db2.gz OEULLNANMXSQFB-XIRDDKMYSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001173273593 808577033 /nfs/dbraw/zinc/57/70/33/808577033.db2.gz OEULLNANMXSQFB-XIRDDKMYSA-N 2 1 264.457 3.419 20 0 CGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)C1 ZINC001173288560 808588914 /nfs/dbraw/zinc/58/89/14/808588914.db2.gz NNGHIBYERAICQA-KBAYOESNSA-N 2 1 294.483 3.140 20 0 CGADMP CCSC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173296288 808596946 /nfs/dbraw/zinc/59/69/46/808596946.db2.gz QYEIWFPELFBBTE-MGPQQGTHSA-N 2 1 258.475 3.108 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001173539460 808646616 /nfs/dbraw/zinc/64/66/16/808646616.db2.gz OMZPJBWLEFZMGX-PWSUYJOCSA-N 2 1 287.234 3.348 20 0 CGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001173539460 808646620 /nfs/dbraw/zinc/64/66/20/808646620.db2.gz OMZPJBWLEFZMGX-PWSUYJOCSA-N 2 1 287.234 3.348 20 0 CGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001275151951 808917360 /nfs/dbraw/zinc/91/73/60/808917360.db2.gz WWXLDYZKIDXQDB-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001275151951 808917366 /nfs/dbraw/zinc/91/73/66/808917366.db2.gz WWXLDYZKIDXQDB-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001275151951 808917371 /nfs/dbraw/zinc/91/73/71/808917371.db2.gz WWXLDYZKIDXQDB-MRXNPFEDSA-N 2 1 252.446 3.230 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(C)c1 ZINC001275444610 808938219 /nfs/dbraw/zinc/93/82/19/808938219.db2.gz QPPYIGOHXPELPP-GOOCMWNKSA-N 2 1 278.827 3.363 20 0 CGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(C)c1 ZINC001275444610 808938223 /nfs/dbraw/zinc/93/82/23/808938223.db2.gz QPPYIGOHXPELPP-GOOCMWNKSA-N 2 1 278.827 3.363 20 0 CGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(F)cc(F)c3)CC2)C1 ZINC001275937134 808978473 /nfs/dbraw/zinc/97/84/73/808978473.db2.gz KWRNWYKUZNBNOX-UHFFFAOYSA-N 2 1 294.389 3.273 20 0 CGADMP CCc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001276043162 808985869 /nfs/dbraw/zinc/98/58/69/808985869.db2.gz VZUQPBDHEUZNJU-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001276043162 808985872 /nfs/dbraw/zinc/98/58/72/808985872.db2.gz VZUQPBDHEUZNJU-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC001276043162 808985875 /nfs/dbraw/zinc/98/58/75/808985875.db2.gz VZUQPBDHEUZNJU-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP CCc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC001276043162 808985878 /nfs/dbraw/zinc/98/58/78/808985878.db2.gz VZUQPBDHEUZNJU-INIZCTEOSA-N 2 1 278.465 3.228 20 0 CGADMP Cc1cccc2c(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)c[nH]c21 ZINC001276054656 808986131 /nfs/dbraw/zinc/98/61/31/808986131.db2.gz KZTXPYJMLWUXTR-UHFFFAOYSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2c(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c[nH]c21 ZINC001276053777 808986157 /nfs/dbraw/zinc/98/61/57/808986157.db2.gz CDDHNVLOSJLDCY-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001276053777 808986159 /nfs/dbraw/zinc/98/61/59/808986159.db2.gz CDDHNVLOSJLDCY-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001276053777 808986165 /nfs/dbraw/zinc/98/61/65/808986165.db2.gz CDDHNVLOSJLDCY-LJQANCHMSA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2c(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c[nH]c21 ZINC001276053774 808986510 /nfs/dbraw/zinc/98/65/10/808986510.db2.gz CDDHNVLOSJLDCY-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2c(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001276053774 808986515 /nfs/dbraw/zinc/98/65/15/808986515.db2.gz CDDHNVLOSJLDCY-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001276053774 808986520 /nfs/dbraw/zinc/98/65/20/808986520.db2.gz CDDHNVLOSJLDCY-IBGZPJMESA-N 2 1 297.446 3.394 20 0 CGADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1F ZINC001276232548 808994255 /nfs/dbraw/zinc/99/42/55/808994255.db2.gz HZTCNSCEIJDRKM-UHFFFAOYSA-N 2 1 290.426 3.442 20 0 CGADMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1C ZINC001276228183 808994924 /nfs/dbraw/zinc/99/49/24/808994924.db2.gz LKQWJZWNURPRGF-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1C ZINC001276228183 808994926 /nfs/dbraw/zinc/99/49/26/808994926.db2.gz LKQWJZWNURPRGF-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1C ZINC001276228183 808994931 /nfs/dbraw/zinc/99/49/31/808994931.db2.gz LKQWJZWNURPRGF-HDICACEKSA-N 2 1 272.436 3.077 20 0 CGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1F)CC2 ZINC001276264052 808998493 /nfs/dbraw/zinc/99/84/93/808998493.db2.gz DDLHRCQSGACDHK-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1F)CC2 ZINC001276264052 808998495 /nfs/dbraw/zinc/99/84/95/808998495.db2.gz DDLHRCQSGACDHK-UHFFFAOYSA-N 2 1 296.817 3.397 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc(C)n1 ZINC001276398293 809005226 /nfs/dbraw/zinc/00/52/26/809005226.db2.gz QIYAAXDRQOTGIM-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc(C)n1 ZINC001276398293 809005234 /nfs/dbraw/zinc/00/52/34/809005234.db2.gz QIYAAXDRQOTGIM-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc(C)n1 ZINC001276398293 809005240 /nfs/dbraw/zinc/00/52/40/809005240.db2.gz QIYAAXDRQOTGIM-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc(C)n1 ZINC001276398293 809005247 /nfs/dbraw/zinc/00/52/47/809005247.db2.gz QIYAAXDRQOTGIM-GOSISDBHSA-N 2 1 287.451 3.006 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1)c1ccccc1 ZINC001276436517 809008713 /nfs/dbraw/zinc/00/87/13/809008713.db2.gz QZERRAJOABDGOQ-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H](C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1)c1ccccc1 ZINC001276436517 809008721 /nfs/dbraw/zinc/00/87/21/809008721.db2.gz QZERRAJOABDGOQ-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[C@@H](C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1)c1ccccc1 ZINC001276436517 809008730 /nfs/dbraw/zinc/00/87/30/809008730.db2.gz QZERRAJOABDGOQ-RYQLBKOJSA-N 2 1 272.436 3.064 20 0 CGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(C)(C)C)[nH]3)C[C@H]2CC1 ZINC001276796748 809032733 /nfs/dbraw/zinc/03/27/33/809032733.db2.gz OYVQFFYSOREMDT-GASCZTMLSA-N 2 1 289.467 3.086 20 0 CGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C)[nH]3)C[C@H]2CC1 ZINC001276796748 809032738 /nfs/dbraw/zinc/03/27/38/809032738.db2.gz OYVQFFYSOREMDT-GASCZTMLSA-N 2 1 289.467 3.086 20 0 CGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)[nH]3)C[C@H]2CC1 ZINC001276796748 809032745 /nfs/dbraw/zinc/03/27/45/809032745.db2.gz OYVQFFYSOREMDT-GASCZTMLSA-N 2 1 289.467 3.086 20 0 CGADMP CC[C@H](C)[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001277808318 809098542 /nfs/dbraw/zinc/09/85/42/809098542.db2.gz VZGVUTPCHBKDBM-HNNXBMFYSA-N 2 1 272.436 3.264 20 0 CGADMP C1[NH+](C2CCCC2)CC12CCC[N@@H+](C1CCCC1)C2 ZINC001277930420 809105995 /nfs/dbraw/zinc/10/59/95/809105995.db2.gz ITDOFRFQQBKGJX-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP C1[NH+](C2CCCC2)CC12CCC[N@H+](C1CCCC1)C2 ZINC001277930420 809106000 /nfs/dbraw/zinc/10/60/00/809106000.db2.gz ITDOFRFQQBKGJX-UHFFFAOYSA-N 2 1 262.441 3.269 20 0 CGADMP CCCC[N@@H+](C[C@H](O)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984490 809226763 /nfs/dbraw/zinc/22/67/63/809226763.db2.gz QNRDWYGNVAWOPU-INIZCTEOSA-N 2 1 298.515 3.415 20 0 CGADMP CCc1ccccc1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176280518 809659299 /nfs/dbraw/zinc/65/92/99/809659299.db2.gz CZRKKIGICBTUCC-MRXNPFEDSA-N 2 1 295.430 3.355 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001177303083 809792322 /nfs/dbraw/zinc/79/23/22/809792322.db2.gz BHVVRWTXDRDKTP-NZSAHSFTSA-N 2 1 286.463 3.472 20 0 CGADMP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001177303083 809792326 /nfs/dbraw/zinc/79/23/26/809792326.db2.gz BHVVRWTXDRDKTP-NZSAHSFTSA-N 2 1 286.463 3.472 20 0 CGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001178661727 809880750 /nfs/dbraw/zinc/88/07/50/809880750.db2.gz WXGZYWQXWMBUKY-FZKCQIBNSA-N 2 1 250.430 3.029 20 0 CGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001178661727 809880755 /nfs/dbraw/zinc/88/07/55/809880755.db2.gz WXGZYWQXWMBUKY-FZKCQIBNSA-N 2 1 250.430 3.029 20 0 CGADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001179160454 809907599 /nfs/dbraw/zinc/90/75/99/809907599.db2.gz WXPJQQGJVBGPJX-HNNXBMFYSA-N 2 1 290.451 3.079 20 0 CGADMP CNc1ccc(C)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC001181505972 810056665 /nfs/dbraw/zinc/05/66/65/810056665.db2.gz LACVSHLECWSXJH-UHFFFAOYSA-N 2 1 286.423 3.064 20 0 CGADMP CNc1ccc(C)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC001181505972 810056667 /nfs/dbraw/zinc/05/66/67/810056667.db2.gz LACVSHLECWSXJH-UHFFFAOYSA-N 2 1 286.423 3.064 20 0 CGADMP C[C@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)c1ccccn1 ZINC001183498539 810150667 /nfs/dbraw/zinc/15/06/67/810150667.db2.gz GKEYFKDLIBUKRW-MAUKXSAKSA-N 2 1 292.386 3.370 20 0 CGADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001191743209 810735289 /nfs/dbraw/zinc/73/52/89/810735289.db2.gz RBGBHLVZKJGOOW-IRXDYDNUSA-N 2 1 296.499 3.388 20 0 CGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001198270488 811487690 /nfs/dbraw/zinc/48/76/90/811487690.db2.gz LLDNXGLKWDMTGF-UXLLHSPISA-N 2 1 264.457 3.086 20 0 CGADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCCC3(C)C)C[C@]2(C)C1 ZINC001198270488 811487695 /nfs/dbraw/zinc/48/76/95/811487695.db2.gz LLDNXGLKWDMTGF-UXLLHSPISA-N 2 1 264.457 3.086 20 0 CGADMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001201476428 811854608 /nfs/dbraw/zinc/85/46/08/811854608.db2.gz BAYQBVYBOMSABH-UHFFFAOYSA-N 2 1 260.425 3.239 20 0 CGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CC2CCCC2)CC1 ZINC001202161948 812027624 /nfs/dbraw/zinc/02/76/24/812027624.db2.gz YZGNDRLJYOVKJT-UHFFFAOYSA-N 2 1 273.424 3.119 20 0 CGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001202655151 812147481 /nfs/dbraw/zinc/14/74/81/812147481.db2.gz KJMXKIZIIDCDSM-RRFJBIMHSA-N 2 1 272.502 3.371 20 0 CGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001202655151 812147483 /nfs/dbraw/zinc/14/74/83/812147483.db2.gz KJMXKIZIIDCDSM-RRFJBIMHSA-N 2 1 272.502 3.371 20 0 CGADMP CCO[C@H](C[NH2+]C1CCC2(CCCCC2)CC1)C[NH+](C)C ZINC001203633983 812412810 /nfs/dbraw/zinc/41/28/10/812412810.db2.gz MKYCYERMCZMVQJ-QGZVFWFLSA-N 2 1 296.499 3.436 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(OC)c(C)c1C ZINC001203723522 812440775 /nfs/dbraw/zinc/44/07/75/812440775.db2.gz KONPNBZFUMOPBI-UHFFFAOYSA-N 2 1 287.407 3.031 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)cc1 ZINC001203958089 812502617 /nfs/dbraw/zinc/50/26/17/812502617.db2.gz KSCLQFSUAHYNRC-KRWDZBQOSA-N 2 1 298.386 3.052 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203958089 812502629 /nfs/dbraw/zinc/50/26/29/812502629.db2.gz KSCLQFSUAHYNRC-KRWDZBQOSA-N 2 1 298.386 3.052 20 0 CGADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC001204110671 812549587 /nfs/dbraw/zinc/54/95/87/812549587.db2.gz HFVBYILCPGYFTM-ZDUSSCGKSA-N 2 1 275.396 3.038 20 0 CGADMP CC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C(C)C ZINC001204263779 812592311 /nfs/dbraw/zinc/59/23/11/812592311.db2.gz CGNCOCAHPGZNRU-UHFFFAOYSA-N 2 1 278.440 3.247 20 0 CGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2ccccc2n1 ZINC001204507048 812659425 /nfs/dbraw/zinc/65/94/25/812659425.db2.gz JXFUDGGRHWMCTB-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2ccccc2n1 ZINC001204507048 812659431 /nfs/dbraw/zinc/65/94/31/812659431.db2.gz JXFUDGGRHWMCTB-UHFFFAOYSA-N 2 1 285.435 3.399 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204604638 812687343 /nfs/dbraw/zinc/68/73/43/812687343.db2.gz TZVVOUPZPAQVDX-ZBFHGGJFSA-N 2 1 296.405 3.388 20 0 CGADMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204604638 812687347 /nfs/dbraw/zinc/68/73/47/812687347.db2.gz TZVVOUPZPAQVDX-ZBFHGGJFSA-N 2 1 296.405 3.388 20 0 CGADMP CC(C)C[NH+](CC(C)C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204611585 812689663 /nfs/dbraw/zinc/68/96/63/812689663.db2.gz VVERGWPUELUNRT-KGLIPLIRSA-N 2 1 276.415 3.091 20 0 CGADMP Oc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204734958 812719699 /nfs/dbraw/zinc/71/96/99/812719699.db2.gz HHXBZZCDQHSUJM-UHFFFAOYSA-N 2 1 294.826 3.011 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204763943 812729034 /nfs/dbraw/zinc/72/90/34/812729034.db2.gz UFINYOYPBKJAQU-HOCLYGCPSA-N 2 1 270.461 3.031 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204764435 812729188 /nfs/dbraw/zinc/72/91/88/812729188.db2.gz ZQAJEBGFJCBKJS-CRAIPNDOSA-N 2 1 274.452 3.412 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204764438 812729347 /nfs/dbraw/zinc/72/93/47/812729347.db2.gz ZQAJEBGFJCBKJS-QAPCUYQASA-N 2 1 274.452 3.412 20 0 CGADMP Cc1cccc(C[N@@H+](C)Cc2cc3c(s2)C[NH2+]CC3)c1 ZINC001204847581 812753755 /nfs/dbraw/zinc/75/37/55/812753755.db2.gz CZSKJGKQFCVDIQ-UHFFFAOYSA-N 2 1 286.444 3.334 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204903995 812770803 /nfs/dbraw/zinc/77/08/03/812770803.db2.gz JKMBMIKEKVFFEK-CRAIPNDOSA-N 2 1 286.463 3.412 20 0 CGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204903995 812770804 /nfs/dbraw/zinc/77/08/04/812770804.db2.gz JKMBMIKEKVFFEK-CRAIPNDOSA-N 2 1 286.463 3.412 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001205000232 812816788 /nfs/dbraw/zinc/81/67/88/812816788.db2.gz AYFNDXXNIIXVBI-LXZKKBNFSA-N 2 1 292.854 3.375 20 0 CGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1 ZINC001205001912 812818258 /nfs/dbraw/zinc/81/82/58/812818258.db2.gz XLCJZIATGZTQBU-CABCVRRESA-N 2 1 254.462 3.380 20 0 CGADMP [NH3+]CC1CC[NH+](Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001205052790 812839161 /nfs/dbraw/zinc/83/91/61/812839161.db2.gz DONPSGVBVAHTAF-UHFFFAOYSA-N 2 1 291.197 3.303 20 0 CGADMP CCc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1Cl ZINC001205124426 812879224 /nfs/dbraw/zinc/87/92/24/812879224.db2.gz RFXBZYLDIDSYHQ-AWEZNQCLSA-N 2 1 266.816 3.216 20 0 CGADMP CCc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1Cl ZINC001205124426 812879232 /nfs/dbraw/zinc/87/92/32/812879232.db2.gz RFXBZYLDIDSYHQ-AWEZNQCLSA-N 2 1 266.816 3.216 20 0 CGADMP C[C@@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)Cc2ccccc21 ZINC001205164300 812892544 /nfs/dbraw/zinc/89/25/44/812892544.db2.gz CDUWBQGHOIAWHW-OAHLLOKOSA-N 2 1 284.447 3.386 20 0 CGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001205164939 812894942 /nfs/dbraw/zinc/89/49/42/812894942.db2.gz XGDPECACAMYVJC-HOCLYGCPSA-N 2 1 258.409 3.138 20 0 CGADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1C ZINC001205191087 812903574 /nfs/dbraw/zinc/90/35/74/812903574.db2.gz VWJNQEMLTCMKHC-NVXWUHKLSA-N 2 1 260.425 3.150 20 0 CGADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1C ZINC001205191087 812903580 /nfs/dbraw/zinc/90/35/80/812903580.db2.gz VWJNQEMLTCMKHC-NVXWUHKLSA-N 2 1 260.425 3.150 20 0 CGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC001205266445 812922480 /nfs/dbraw/zinc/92/24/80/812922480.db2.gz UUWMEIJXHUMWSH-INIZCTEOSA-N 2 1 298.377 3.034 20 0 CGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC001205273907 812925884 /nfs/dbraw/zinc/92/58/84/812925884.db2.gz RFHVLZGLOZLHFH-QGZVFWFLSA-N 2 1 258.409 3.267 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1OC(C)C ZINC001205281607 812930390 /nfs/dbraw/zinc/93/03/90/812930390.db2.gz VTEUNQWYEZLYIT-GOSISDBHSA-N 2 1 290.451 3.486 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC001205303268 812940557 /nfs/dbraw/zinc/94/05/57/812940557.db2.gz BTUNNJLUWKXUNJ-BEFAXECRSA-N 2 1 295.430 3.165 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303637 812941967 /nfs/dbraw/zinc/94/19/67/812941967.db2.gz IXIRPSHKZVLWRY-GDBMZVCRSA-N 2 1 285.435 3.078 20 0 CGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C(C)C ZINC001205303838 812942116 /nfs/dbraw/zinc/94/21/16/812942116.db2.gz LLIREUZDHGHNQO-HOCLYGCPSA-N 2 1 290.451 3.235 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2ccc3ccsc3c2)C[C@H]1C[NH3+] ZINC001205303826 812942535 /nfs/dbraw/zinc/94/25/35/812942535.db2.gz LCLGSWZQGNBDEV-SWLSCSKDSA-N 2 1 274.433 3.318 20 0 CGADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205315378 812947821 /nfs/dbraw/zinc/94/78/21/812947821.db2.gz FLUNRIHYVLRWIK-DOMZBBRYSA-N 2 1 280.843 3.374 20 0 CGADMP CSc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205317750 812950787 /nfs/dbraw/zinc/95/07/87/812950787.db2.gz PVLLQAYCZJRAQM-UKRRQHHQSA-N 2 1 278.465 3.134 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205333299 812960989 /nfs/dbraw/zinc/96/09/89/812960989.db2.gz ZQMMZYXQKFZJPR-GFCCVEGCSA-N 2 1 289.810 3.072 20 0 CGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205333299 812960995 /nfs/dbraw/zinc/96/09/95/812960995.db2.gz ZQMMZYXQKFZJPR-GFCCVEGCSA-N 2 1 289.810 3.072 20 0 CGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCC2CCCCC2)CC1 ZINC001205537563 812996218 /nfs/dbraw/zinc/99/62/18/812996218.db2.gz IESHBPBPZHPWIX-MRXNPFEDSA-N 2 1 270.436 3.500 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(C)c1 ZINC001205545658 812999463 /nfs/dbraw/zinc/99/94/63/812999463.db2.gz LGNCRKGFDRBWRV-QGZVFWFLSA-N 2 1 278.415 3.265 20 0 CGADMP CSc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205545520 812999964 /nfs/dbraw/zinc/99/99/64/812999964.db2.gz IVAFQKFMBAHSTG-OAHLLOKOSA-N 2 1 282.428 3.061 20 0 CGADMP CC1(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)CCCCC1 ZINC001205545484 813000100 /nfs/dbraw/zinc/00/01/00/813000100.db2.gz HZPKACUDPJSRIX-OAHLLOKOSA-N 2 1 256.409 3.110 20 0 CGADMP C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC001205602013 813017572 /nfs/dbraw/zinc/01/75/72/813017572.db2.gz HPXYDDMBPBYZOT-GOEBONIOSA-N 2 1 278.415 3.065 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205600963 813017654 /nfs/dbraw/zinc/01/76/54/813017654.db2.gz COWSZVJPMZLXPW-IKGGRYGDSA-N 2 1 298.515 3.261 20 0 CGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205604800 813021391 /nfs/dbraw/zinc/02/13/91/813021391.db2.gz XFMHTVBJZVJLJK-HZPDHXFCSA-N 2 1 260.425 3.110 20 0 CGADMP Cc1cccc2c(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c[nH]c21 ZINC001205615771 813025844 /nfs/dbraw/zinc/02/58/44/813025844.db2.gz AVSVAVWIEPKYNZ-HIFRSBDPSA-N 2 1 285.435 3.283 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(F)c23)CC[C@H]1C[NH3+] ZINC001205616960 813026193 /nfs/dbraw/zinc/02/61/93/813026193.db2.gz HTFMOGUPZZDWPG-OLZOCXBDSA-N 2 1 289.398 3.114 20 0 CGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618288 813028624 /nfs/dbraw/zinc/02/86/24/813028624.db2.gz UGCICMGNKIKXRI-OCCSQVGLSA-N 2 1 280.843 3.455 20 0 CGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(C)c1 ZINC001205617905 813029098 /nfs/dbraw/zinc/02/90/98/813029098.db2.gz PAIJUZYXKOLCIP-ZBFHGGJFSA-N 2 1 290.451 3.201 20 0 CGADMP CCc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205625970 813033126 /nfs/dbraw/zinc/03/31/26/813033126.db2.gz DBGINIMCDUBITN-RHSMWYFYSA-N 2 1 260.425 3.056 20 0 CGADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(C)c1 ZINC001205628889 813034032 /nfs/dbraw/zinc/03/40/32/813034032.db2.gz XNKWIKYOIDLYFF-BBRMVZONSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cccc3ncsc32)CC[C@@H]1C[NH3+] ZINC001205639000 813038386 /nfs/dbraw/zinc/03/83/86/813038386.db2.gz UNOXQJMAGBSXEH-CHWSQXEVSA-N 2 1 289.448 3.103 20 0 CGADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1F ZINC001205639469 813038566 /nfs/dbraw/zinc/03/85/66/813038566.db2.gz ZFTPAJQOHQWENG-ZFWWWQNUSA-N 2 1 294.414 3.031 20 0 CGADMP C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)c[nH]2)CC[C@H]1C[NH3+] ZINC001205651357 813041492 /nfs/dbraw/zinc/04/14/92/813041492.db2.gz CXVBMYRQZYMPJP-KBPBESRZSA-N 2 1 277.456 3.119 20 0 CGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)cccc2n1 ZINC001205651448 813041806 /nfs/dbraw/zinc/04/18/06/813041806.db2.gz FGBKXHICLBDAPI-ZBFHGGJFSA-N 2 1 297.446 3.350 20 0 CGADMP COc1cc(C)c(C)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651421 813042299 /nfs/dbraw/zinc/04/22/99/813042299.db2.gz FDFJTFYEUVMCIZ-BBRMVZONSA-N 2 1 290.451 3.119 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc3cc[nH]c32)CC[C@@H]1C[NH3+] ZINC001205665796 813047701 /nfs/dbraw/zinc/04/77/01/813047701.db2.gz VKKXZQSXYOVCAS-TZMCWYRMSA-N 2 1 289.398 3.114 20 0 CGADMP CCCOc1ccc(C[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC001205709317 813058255 /nfs/dbraw/zinc/05/82/55/813058255.db2.gz XOIZMRCIQQZSFC-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC001205709317 813058262 /nfs/dbraw/zinc/05/82/62/813058262.db2.gz XOIZMRCIQQZSFC-UHFFFAOYSA-N 2 1 278.440 3.167 20 0 CGADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCCC2)CCC1(F)F ZINC001205736443 813063179 /nfs/dbraw/zinc/06/31/79/813063179.db2.gz XXPVBEPXWSIFRR-CQSZACIVSA-N 2 1 274.399 3.263 20 0 CGADMP CCCc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)s1 ZINC001205767812 813070326 /nfs/dbraw/zinc/07/03/26/813070326.db2.gz AZPMVTJIEYQTSE-LLVKDONJSA-N 2 1 288.407 3.117 20 0 CGADMP CCCc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)s1 ZINC001205767812 813070335 /nfs/dbraw/zinc/07/03/35/813070335.db2.gz AZPMVTJIEYQTSE-LLVKDONJSA-N 2 1 288.407 3.117 20 0 CGADMP Cc1ccnc2cccc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])c12 ZINC001205855884 813109306 /nfs/dbraw/zinc/10/93/06/813109306.db2.gz QGIVNLDBYYXBDK-CJNGLKHVSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1ccnc2cccc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])c12 ZINC001205855884 813109309 /nfs/dbraw/zinc/10/93/09/813109309.db2.gz QGIVNLDBYYXBDK-CJNGLKHVSA-N 2 1 283.419 3.102 20 0 CGADMP Cc1csc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Cl ZINC001205901590 813123095 /nfs/dbraw/zinc/12/30/95/813123095.db2.gz DMYUKNJGMQJABA-MNOVXSKESA-N 2 1 272.845 3.269 20 0 CGADMP Cc1csc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Cl ZINC001205901590 813123099 /nfs/dbraw/zinc/12/30/99/813123099.db2.gz DMYUKNJGMQJABA-MNOVXSKESA-N 2 1 272.845 3.269 20 0 CGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC001205901099 813123368 /nfs/dbraw/zinc/12/33/68/813123368.db2.gz BHCBFTWRROSRRU-KDOFPFPSSA-N 2 1 268.404 3.399 20 0 CGADMP F[C@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001205923312 813135161 /nfs/dbraw/zinc/13/51/61/813135161.db2.gz MYIYQUKWTTVQJG-AWEZNQCLSA-N 2 1 256.409 3.123 20 0 CGADMP C[C@H]1C[N@@H+](CCc2cccc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205984610 813151593 /nfs/dbraw/zinc/15/15/93/813151593.db2.gz SLMBDFOBLRWLIM-ZFWWWQNUSA-N 2 1 280.843 3.189 20 0 CGADMP C[C@H]1C[N@@H+](CCCc2ccc(F)cc2)CCC[C@@H]1C[NH3+] ZINC001205984480 813152092 /nfs/dbraw/zinc/15/20/92/813152092.db2.gz SGZFEVMKMOIMBM-GOEBONIOSA-N 2 1 278.415 3.065 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c1F ZINC001205991296 813153496 /nfs/dbraw/zinc/15/34/96/813153496.db2.gz ABVRSJRDKCJNBW-CHWSQXEVSA-N 2 1 282.378 3.080 20 0 CGADMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2F)CCC[C@@H]1C[NH3+] ZINC001205995808 813156482 /nfs/dbraw/zinc/15/64/82/813156482.db2.gz QPIXIJUKBQILNC-NWDGAFQWSA-N 2 1 284.806 3.286 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[C@H]1C[NH3+] ZINC001205996144 813156609 /nfs/dbraw/zinc/15/66/09/813156609.db2.gz VELZCUFUYRUVJW-JSGCOSHPSA-N 2 1 266.816 3.147 20 0 CGADMP CC(C)c1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC001206002834 813161009 /nfs/dbraw/zinc/16/10/09/813161009.db2.gz BROBXDPIJZGYDI-OLZOCXBDSA-N 2 1 281.469 3.073 20 0 CGADMP C[C@H]1C[N@@H+](Cc2ccc3cc(O)ccc3c2)CCC[C@H]1C[NH3+] ZINC001206003516 813161584 /nfs/dbraw/zinc/16/15/84/813161584.db2.gz IXGKKNUKKSHQCD-KSSFIOAISA-N 2 1 298.430 3.352 20 0 CGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CCC[C@H]1C[NH3+] ZINC001206005661 813162623 /nfs/dbraw/zinc/16/26/23/813162623.db2.gz YYBGNBZKJQWKNY-ZBFHGGJFSA-N 2 1 272.436 3.371 20 0 CGADMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC001206012416 813165428 /nfs/dbraw/zinc/16/54/28/813165428.db2.gz LFSVGIMVYKHFQR-QWHCGFSZSA-N 2 1 266.454 3.117 20 0 CGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206156692 813216781 /nfs/dbraw/zinc/21/67/81/813216781.db2.gz SCEBKBHKCQQZJP-IAGOWNOFSA-N 2 1 294.414 3.127 20 0 CGADMP Cc1nc(C)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001206171280 813225009 /nfs/dbraw/zinc/22/50/09/813225009.db2.gz CXRQRILBSJKLCH-UHFFFAOYSA-N 2 1 295.496 3.312 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206183189 813230582 /nfs/dbraw/zinc/23/05/82/813230582.db2.gz GCAUHYVJATWDQD-CVEARBPZSA-N 2 1 264.388 3.071 20 0 CGADMP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206183189 813230585 /nfs/dbraw/zinc/23/05/85/813230585.db2.gz GCAUHYVJATWDQD-CVEARBPZSA-N 2 1 264.388 3.071 20 0 CGADMP Cc1c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Cl ZINC001206214164 813243533 /nfs/dbraw/zinc/24/35/33/813243533.db2.gz XMJCAEJSJDMGML-HUUCEWRRSA-N 2 1 284.806 3.218 20 0 CGADMP Cc1c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Cl ZINC001206214164 813243539 /nfs/dbraw/zinc/24/35/39/813243539.db2.gz XMJCAEJSJDMGML-HUUCEWRRSA-N 2 1 284.806 3.218 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001206258074 813259958 /nfs/dbraw/zinc/25/99/58/813259958.db2.gz QCWGMWGKJIVOJE-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001206258074 813259962 /nfs/dbraw/zinc/25/99/62/813259962.db2.gz QCWGMWGKJIVOJE-ZDUSSCGKSA-N 2 1 272.367 3.163 20 0 CGADMP Cc1sc2ccccc2c1C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206278085 813269254 /nfs/dbraw/zinc/26/92/54/813269254.db2.gz YHHSACLLBAJNBL-GFCCVEGCSA-N 2 1 274.433 3.251 20 0 CGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206278085 813269260 /nfs/dbraw/zinc/26/92/60/813269260.db2.gz YHHSACLLBAJNBL-GFCCVEGCSA-N 2 1 274.433 3.251 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC001206287185 813273003 /nfs/dbraw/zinc/27/30/03/813273003.db2.gz XZBSZJGDVLNJKB-MRXNPFEDSA-N 2 1 295.430 3.098 20 0 CGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC001206287185 813273010 /nfs/dbraw/zinc/27/30/10/813273010.db2.gz XZBSZJGDVLNJKB-MRXNPFEDSA-N 2 1 295.430 3.098 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001206296425 813276376 /nfs/dbraw/zinc/27/63/76/813276376.db2.gz SUBWMDPNUSPTKQ-INIZCTEOSA-N 2 1 252.446 3.408 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1C ZINC001206303116 813278959 /nfs/dbraw/zinc/27/89/59/813278959.db2.gz BLKPWBBGMCHREY-KRWDZBQOSA-N 2 1 260.425 3.254 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001206305119 813281136 /nfs/dbraw/zinc/28/11/36/813281136.db2.gz UBRXHEVMUDKPMJ-HNNXBMFYSA-N 2 1 284.806 3.430 20 0 CGADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304861 813281327 /nfs/dbraw/zinc/28/13/27/813281327.db2.gz PUUOUXNWGXTUGX-SFHVURJKSA-N 2 1 285.435 3.129 20 0 CGADMP CCCOc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304753 813281965 /nfs/dbraw/zinc/28/19/65/813281965.db2.gz OZDAAPJABGUPDV-SFHVURJKSA-N 2 1 290.451 3.426 20 0 CGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ncsc32)CC1 ZINC001206318654 813287170 /nfs/dbraw/zinc/28/71/70/813287170.db2.gz SJZCIOBMHOMIDO-MRXNPFEDSA-N 2 1 289.448 3.247 20 0 CGADMP CCC1(CC)[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C[C@@H]1OC ZINC001206538436 813342689 /nfs/dbraw/zinc/34/26/89/813342689.db2.gz YMDNZYBFAXHANT-CVEARBPZSA-N 2 1 284.488 3.148 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCc2ccccc2)C1 ZINC001206541021 813344602 /nfs/dbraw/zinc/34/46/02/813344602.db2.gz FEVASUULMNHWRN-QGZVFWFLSA-N 2 1 260.425 3.070 20 0 CGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001206550252 813349921 /nfs/dbraw/zinc/34/99/21/813349921.db2.gz YKXQQPUMAMCTSK-QGZVFWFLSA-N 2 1 289.398 3.258 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206549456 813349957 /nfs/dbraw/zinc/34/99/57/813349957.db2.gz NJMYZRFDWNAQML-QGZVFWFLSA-N 2 1 260.425 3.254 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cnc1C1CC1 ZINC001206572186 813358228 /nfs/dbraw/zinc/35/82/28/813358228.db2.gz BZKHIEHAEBIJMW-GOSISDBHSA-N 2 1 287.451 3.218 20 0 CGADMP COc1cccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206574707 813358501 /nfs/dbraw/zinc/35/85/01/813358501.db2.gz ULMBJARTAGHNPH-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206574707 813358508 /nfs/dbraw/zinc/35/85/08/813358508.db2.gz ULMBJARTAGHNPH-INIZCTEOSA-N 2 1 296.842 3.300 20 0 CGADMP COc1cc(C)cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206589492 813366220 /nfs/dbraw/zinc/36/62/20/813366220.db2.gz HNNVLLSGGYDCRF-QGZVFWFLSA-N 2 1 290.451 3.356 20 0 CGADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCN2)[C@@H]1CCC[NH2+]CC1 ZINC001206597395 813368820 /nfs/dbraw/zinc/36/88/20/813368820.db2.gz BYMLDZRMJGGXCE-QGZVFWFLSA-N 2 1 287.451 3.007 20 0 CGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001206616511 813375347 /nfs/dbraw/zinc/37/53/47/813375347.db2.gz PTCFDHVPPICHAW-LBPRGKRZSA-N 2 1 291.826 3.382 20 0 CGADMP COc1ccccc1-c1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206718216 813407346 /nfs/dbraw/zinc/40/73/46/813407346.db2.gz MFENKKFTUUAGHZ-UHFFFAOYSA-N 2 1 296.414 3.143 20 0 CGADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206761061 813425982 /nfs/dbraw/zinc/42/59/82/813425982.db2.gz SIISTWDTUGEBMC-JYJNAYRXSA-N 2 1 252.446 3.428 20 0 CGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCc1ccc(F)cc1Cl ZINC001206760889 813426135 /nfs/dbraw/zinc/42/61/35/813426135.db2.gz NCYVYIWWUMEWLS-NWDGAFQWSA-N 2 1 284.806 3.081 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cc21 ZINC001206768543 813430085 /nfs/dbraw/zinc/43/00/85/813430085.db2.gz KJBWQZALAFRLAT-GDBMZVCRSA-N 2 1 285.435 3.220 20 0 CGADMP CCCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206768320 813430362 /nfs/dbraw/zinc/43/03/62/813430362.db2.gz JDZJGPGPARDOQF-LSDHHAIUSA-N 2 1 276.424 3.035 20 0 CGADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206767785 813430740 /nfs/dbraw/zinc/43/07/40/813430740.db2.gz FFPUDNWMJPQNJR-NVXWUHKLSA-N 2 1 290.451 3.425 20 0 CGADMP CC(C)c1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206767578 813430755 /nfs/dbraw/zinc/43/07/55/813430755.db2.gz BZNAJXNLRVRDLR-GJZGRUSLSA-N 2 1 260.425 3.369 20 0 CGADMP COc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(C)c1C ZINC001206767821 813431034 /nfs/dbraw/zinc/43/10/34/813431034.db2.gz FOJMFPVOUOGGJE-BBRMVZONSA-N 2 1 290.451 3.180 20 0 CGADMP COc1cc2ccccc2cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206806605 813441206 /nfs/dbraw/zinc/44/12/06/813441206.db2.gz GYKDJNNKOMAJCC-GJZGRUSLSA-N 2 1 298.430 3.408 20 0 CGADMP Cc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206806552 813441580 /nfs/dbraw/zinc/44/15/80/813441580.db2.gz GOAYUNBZLMFEEK-QWHCGFSZSA-N 2 1 266.816 3.208 20 0 CGADMP CC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC001206828449 813447475 /nfs/dbraw/zinc/44/74/75/813447475.db2.gz XRRKJELEYAGKGF-INIZCTEOSA-N 2 1 264.457 3.278 20 0 CGADMP Cc1ncsc1CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001206991454 813462340 /nfs/dbraw/zinc/46/23/40/813462340.db2.gz HEULHVZSDMWHRU-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncsc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001206991454 813462341 /nfs/dbraw/zinc/46/23/41/813462341.db2.gz HEULHVZSDMWHRU-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncsc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001206991454 813462344 /nfs/dbraw/zinc/46/23/44/813462344.db2.gz HEULHVZSDMWHRU-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncsc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001206991454 813462347 /nfs/dbraw/zinc/46/23/47/813462347.db2.gz HEULHVZSDMWHRU-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP Cc1ncsc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001206991454 813462349 /nfs/dbraw/zinc/46/23/49/813462349.db2.gz HEULHVZSDMWHRU-GJZGRUSLSA-N 2 1 293.480 3.290 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207185578 813510607 /nfs/dbraw/zinc/51/06/07/813510607.db2.gz PINXBUCDZCPAKT-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001207185578 813510610 /nfs/dbraw/zinc/51/06/10/813510610.db2.gz PINXBUCDZCPAKT-YCPHGPKFSA-N 2 1 250.430 3.029 20 0 CGADMP CC(C)[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207275235 813529716 /nfs/dbraw/zinc/52/97/16/813529716.db2.gz KVPPIUYXNYGIEL-UHFFFAOYSA-N 2 1 262.441 3.485 20 0 CGADMP CC[N@H+](Cc1cccc(OC)c1)CC(C)(C)C[NH+](C)C ZINC001207282290 813533483 /nfs/dbraw/zinc/53/34/83/813533483.db2.gz GOHFDRFRBRFCGW-UHFFFAOYSA-N 2 1 278.440 3.105 20 0 CGADMP CC[N@@H+](Cc1cccc(OC)c1)CC(C)(C)C[NH+](C)C ZINC001207282290 813533489 /nfs/dbraw/zinc/53/34/89/813533489.db2.gz GOHFDRFRBRFCGW-UHFFFAOYSA-N 2 1 278.440 3.105 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001207286463 813535620 /nfs/dbraw/zinc/53/56/20/813535620.db2.gz SCWXCPZMHQFBPG-QGZVFWFLSA-N 2 1 290.451 3.118 20 0 CGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001207286463 813535623 /nfs/dbraw/zinc/53/56/23/813535623.db2.gz SCWXCPZMHQFBPG-QGZVFWFLSA-N 2 1 290.451 3.118 20 0 CGADMP CC1(C)[C@@H]2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001207292389 813535980 /nfs/dbraw/zinc/53/59/80/813535980.db2.gz QRDYXGQIQJTURQ-KDURUIRLSA-N 2 1 298.474 3.486 20 0 CGADMP Fc1ccc(C[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207439061 813565473 /nfs/dbraw/zinc/56/54/73/813565473.db2.gz KCBJNEBPZQRLGX-KRWDZBQOSA-N 2 1 290.426 3.080 20 0 CGADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc2cccnc21 ZINC001207483564 813572851 /nfs/dbraw/zinc/57/28/51/813572851.db2.gz FXHVHEKTSUOMQF-UHFFFAOYSA-N 2 1 297.446 3.399 20 0 CGADMP Cc1cccc2c1C[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207479601 813573215 /nfs/dbraw/zinc/57/32/15/813573215.db2.gz KPQYSEUTIUCOMB-UHFFFAOYSA-N 2 1 258.409 3.043 20 0 CGADMP CC(C)c1ccc(CC[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001207522242 813585018 /nfs/dbraw/zinc/58/50/18/813585018.db2.gz CBPJYPCCQMYWEN-RBUKOAKNSA-N 2 1 286.463 3.379 20 0 CGADMP CN1CCC[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615074 813615029 /nfs/dbraw/zinc/61/50/29/813615029.db2.gz MZOCRGVFKJCIFJ-MSOLQXFVSA-N 2 1 272.436 3.035 20 0 CGADMP CC[N@@H+](C)C1CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC1 ZINC001207683102 813636010 /nfs/dbraw/zinc/63/60/10/813636010.db2.gz LDIOWBPZNHTVPN-MRXNPFEDSA-N 2 1 298.515 3.370 20 0 CGADMP Cc1ccc(C[N@H+](C)CC2(C)CC[NH+](C)CC2)cc1 ZINC001208107486 813694445 /nfs/dbraw/zinc/69/44/45/813694445.db2.gz UTAURIVLIDCGIU-UHFFFAOYSA-N 2 1 260.425 3.159 20 0 CGADMP CS[C@@H](C)CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208152461 813711069 /nfs/dbraw/zinc/71/10/69/813711069.db2.gz HLSJSQHTDIPOIZ-HRCADAONSA-N 2 1 284.513 3.467 20 0 CGADMP CS[C@@H](C)CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208152461 813711072 /nfs/dbraw/zinc/71/10/72/813711072.db2.gz HLSJSQHTDIPOIZ-HRCADAONSA-N 2 1 284.513 3.467 20 0 CGADMP CS[C@@H](C)CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001208152461 813711080 /nfs/dbraw/zinc/71/10/80/813711080.db2.gz HLSJSQHTDIPOIZ-HRCADAONSA-N 2 1 284.513 3.467 20 0 CGADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001208183017 813734063 /nfs/dbraw/zinc/73/40/63/813734063.db2.gz WLXCMTOCWABICM-SJORKVTESA-N 2 1 276.468 3.397 20 0 CGADMP C[NH+](C)CC1(C[N@H+]2CCC23CCCC3)CCCC1 ZINC001208184145 813735110 /nfs/dbraw/zinc/73/51/10/813735110.db2.gz KFDOQIOAVMSSNE-UHFFFAOYSA-N 2 1 250.430 3.127 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCc3c(C)cccc3C2)CC1 ZINC001208593577 813769236 /nfs/dbraw/zinc/76/92/36/813769236.db2.gz WYXMFIXMOJZRRT-UHFFFAOYSA-N 2 1 272.436 3.085 20 0 CGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C)[C@H](C)C2)CC1 ZINC001208592981 813769774 /nfs/dbraw/zinc/76/97/74/813769774.db2.gz NRKFOOMCIJFMAQ-LSDHHAIUSA-N 2 1 252.446 3.086 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cccs2)C1 ZINC001208610177 813774084 /nfs/dbraw/zinc/77/40/84/813774084.db2.gz ZKVVOQIPYADBFU-UONOGXRCSA-N 2 1 264.438 3.227 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cccs2)C1 ZINC001208610177 813774086 /nfs/dbraw/zinc/77/40/86/813774086.db2.gz ZKVVOQIPYADBFU-UONOGXRCSA-N 2 1 264.438 3.227 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC001208610177 813774089 /nfs/dbraw/zinc/77/40/89/813774089.db2.gz ZKVVOQIPYADBFU-UONOGXRCSA-N 2 1 264.438 3.227 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccs2)C1 ZINC001208610177 813774095 /nfs/dbraw/zinc/77/40/95/813774095.db2.gz ZKVVOQIPYADBFU-UONOGXRCSA-N 2 1 264.438 3.227 20 0 CGADMP COc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208608327 813774905 /nfs/dbraw/zinc/77/49/05/813774905.db2.gz HFNMNRMDJQBPMQ-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208608327 813774912 /nfs/dbraw/zinc/77/49/12/813774912.db2.gz HFNMNRMDJQBPMQ-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)c1 ZINC001208608327 813774921 /nfs/dbraw/zinc/77/49/21/813774921.db2.gz HFNMNRMDJQBPMQ-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP COc1cccc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001208608327 813774925 /nfs/dbraw/zinc/77/49/25/813774925.db2.gz HFNMNRMDJQBPMQ-QAPCUYQASA-N 2 1 288.435 3.174 20 0 CGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001208608572 813775379 /nfs/dbraw/zinc/77/53/79/813775379.db2.gz QQNYYVWAOASLDE-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001208608572 813775382 /nfs/dbraw/zinc/77/53/82/813775382.db2.gz QQNYYVWAOASLDE-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001208608572 813775387 /nfs/dbraw/zinc/77/53/87/813775387.db2.gz QQNYYVWAOASLDE-AEFFLSMTSA-N 2 1 272.436 3.208 20 0 CGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001208617428 813777686 /nfs/dbraw/zinc/77/76/86/813777686.db2.gz PGCRPXMXYZAXBV-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001208617428 813777690 /nfs/dbraw/zinc/77/76/90/813777690.db2.gz PGCRPXMXYZAXBV-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001208617428 813777695 /nfs/dbraw/zinc/77/76/95/813777695.db2.gz PGCRPXMXYZAXBV-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001208617428 813777700 /nfs/dbraw/zinc/77/77/00/813777700.db2.gz PGCRPXMXYZAXBV-DOTOQJQBSA-N 2 1 264.457 3.373 20 0 CGADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(C)(C)c3ccccc3)C2)C1 ZINC001208669038 813792299 /nfs/dbraw/zinc/79/22/99/813792299.db2.gz FBUIDIWLLXUTCV-IBGZPJMESA-N 2 1 286.463 3.382 20 0 CGADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(C)(C)c3ccccc3)C2)C1 ZINC001208669038 813792302 /nfs/dbraw/zinc/79/23/02/813792302.db2.gz FBUIDIWLLXUTCV-IBGZPJMESA-N 2 1 286.463 3.382 20 0 CGADMP F[C@H]1CCCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208945278 813905418 /nfs/dbraw/zinc/90/54/18/813905418.db2.gz BTEGSDXMFNPEBY-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208945278 813905423 /nfs/dbraw/zinc/90/54/23/813905423.db2.gz BTEGSDXMFNPEBY-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208945278 813905428 /nfs/dbraw/zinc/90/54/28/813905428.db2.gz BTEGSDXMFNPEBY-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP F[C@H]1CCCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208945278 813905433 /nfs/dbraw/zinc/90/54/33/813905433.db2.gz BTEGSDXMFNPEBY-MSOLQXFVSA-N 2 1 290.426 3.333 20 0 CGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208946294 813907237 /nfs/dbraw/zinc/90/72/37/813907237.db2.gz GDNYCRBHEYVWJA-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208946294 813907244 /nfs/dbraw/zinc/90/72/44/813907244.db2.gz GDNYCRBHEYVWJA-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208946294 813907246 /nfs/dbraw/zinc/90/72/46/813907246.db2.gz GDNYCRBHEYVWJA-SJLPKXTDSA-N 2 1 272.436 3.383 20 0 CGADMP CC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948966 813907996 /nfs/dbraw/zinc/90/79/96/813907996.db2.gz UNQWUEGNQRFLRP-SFHVURJKSA-N 2 1 272.436 3.240 20 0 CGADMP Cc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cn1 ZINC001209452139 814047551 /nfs/dbraw/zinc/04/75/51/814047551.db2.gz FFTKJGLXHAYYJM-GOSISDBHSA-N 2 1 287.451 3.403 20 0 CGADMP Cc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cn1 ZINC001209452139 814047557 /nfs/dbraw/zinc/04/75/57/814047557.db2.gz FFTKJGLXHAYYJM-GOSISDBHSA-N 2 1 287.451 3.403 20 0 CGADMP C[NH2+]Cc1ccc(Nc2cccn3c(C)c(C)[nH+]c23)cc1 ZINC001211130241 814756637 /nfs/dbraw/zinc/75/66/37/814756637.db2.gz LXJLCRWQHADXGU-UHFFFAOYSA-N 2 1 280.375 3.414 20 0 CGADMP COc1c[nH+]ccc1Nc1cc[nH+]c(-c2ccccc2)c1 ZINC001211260577 814863916 /nfs/dbraw/zinc/86/39/16/814863916.db2.gz PVTVSQPXNRLTQO-UHFFFAOYSA-N 2 1 277.327 3.318 20 0 CGADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148704 816359104 /nfs/dbraw/zinc/35/91/04/816359104.db2.gz RETCNJXSMZBVNA-LJQANCHMSA-N 2 1 297.446 3.237 20 0 CGADMP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1Cl ZINC001222154442 816362603 /nfs/dbraw/zinc/36/26/03/816362603.db2.gz MKAVCAMRNJKQBN-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1Cl ZINC001222154442 816362610 /nfs/dbraw/zinc/36/26/10/816362610.db2.gz MKAVCAMRNJKQBN-MRXNPFEDSA-N 2 1 278.827 3.224 20 0 CGADMP Cc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222160592 816366850 /nfs/dbraw/zinc/36/68/50/816366850.db2.gz GLYNZQDGZYNZPS-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222160592 816366857 /nfs/dbraw/zinc/36/68/57/816366857.db2.gz GLYNZQDGZYNZPS-GOSISDBHSA-N 2 1 287.451 3.136 20 0 CGADMP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001222237718 816382847 /nfs/dbraw/zinc/38/28/47/816382847.db2.gz QVSRYSAKFHWQCT-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001222237718 816382855 /nfs/dbraw/zinc/38/28/55/816382855.db2.gz QVSRYSAKFHWQCT-GOSISDBHSA-N 2 1 283.419 3.194 20 0 CGADMP C(CC1CCCC1)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222259463 816388620 /nfs/dbraw/zinc/38/86/20/816388620.db2.gz QLIKHASLEPIPKR-QGZVFWFLSA-N 2 1 264.457 3.422 20 0 CGADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001222265808 816391734 /nfs/dbraw/zinc/39/17/34/816391734.db2.gz ZLYVDEWNCYTTJJ-LJQANCHMSA-N 2 1 297.446 3.442 20 0 CGADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001222265808 816391740 /nfs/dbraw/zinc/39/17/40/816391740.db2.gz ZLYVDEWNCYTTJJ-LJQANCHMSA-N 2 1 297.446 3.442 20 0 CGADMP Cc1ccc(CCC[NH+]2CCC3(CCCC[NH2+]3)CC2)o1 ZINC001222287695 816397459 /nfs/dbraw/zinc/39/74/59/816397459.db2.gz PQQQRFPRHOQPTO-UHFFFAOYSA-N 2 1 276.424 3.129 20 0 CGADMP COc1ccc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222320106 816408240 /nfs/dbraw/zinc/40/82/40/816408240.db2.gz ACTGZWDRWYGXHA-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422379 816439595 /nfs/dbraw/zinc/43/95/95/816439595.db2.gz UOJGEEVUVZJWOC-HZPDHXFCSA-N 2 1 252.446 3.421 20 0 CGADMP c1ccc(CCCCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222465237 816451234 /nfs/dbraw/zinc/45/12/34/816451234.db2.gz KTQOJISVITZMNX-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP c1ccc(CCCCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222465237 816451241 /nfs/dbraw/zinc/45/12/41/816451241.db2.gz KTQOJISVITZMNX-GOSISDBHSA-N 2 1 272.436 3.227 20 0 CGADMP CC(C)[N@H+]1CC[C@@H](O[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224135346 816739867 /nfs/dbraw/zinc/73/98/67/816739867.db2.gz VHAHXNZKKKOIEA-QZTJIDSGSA-N 2 1 290.451 3.179 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001231787086 818176879 /nfs/dbraw/zinc/17/68/79/818176879.db2.gz UWPRIFIPCXPNCR-MOPGFXCFSA-N 2 1 286.463 3.269 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001231787086 818176881 /nfs/dbraw/zinc/17/68/81/818176881.db2.gz UWPRIFIPCXPNCR-MOPGFXCFSA-N 2 1 286.463 3.269 20 0 CGADMP CC(C)Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001231787086 818176883 /nfs/dbraw/zinc/17/68/83/818176883.db2.gz UWPRIFIPCXPNCR-MOPGFXCFSA-N 2 1 286.463 3.269 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@](C)(F)C2)c1 ZINC001232144983 818264635 /nfs/dbraw/zinc/26/46/35/818264635.db2.gz QNKSXXUBXRKHIZ-INIZCTEOSA-N 2 1 282.378 3.211 20 0 CGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@](C)(F)C2)c1 ZINC001232144983 818264639 /nfs/dbraw/zinc/26/46/39/818264639.db2.gz QNKSXXUBXRKHIZ-INIZCTEOSA-N 2 1 282.378 3.211 20 0 CGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1-n1cccc1 ZINC001232910982 818471967 /nfs/dbraw/zinc/47/19/67/818471967.db2.gz MFNRAUPIQFDSCM-UHFFFAOYSA-N 2 1 297.446 3.395 20 0 CGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(C2CC2)cc1 ZINC001232987561 818494001 /nfs/dbraw/zinc/49/40/01/818494001.db2.gz ZWSDNMFNJVCOHN-UHFFFAOYSA-N 2 1 269.392 3.283 20 0 CGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)sc1C ZINC001233685986 818681673 /nfs/dbraw/zinc/68/16/73/818681673.db2.gz UQCXERYOJIBMGF-UHFFFAOYSA-N 2 1 266.454 3.139 20 0 CGADMP C[NH+]1C(C)(C)CC(Oc2ccc3[nH+]ccn3c2)CC1(C)C ZINC001233756069 818698793 /nfs/dbraw/zinc/69/87/93/818698793.db2.gz WRFHYPTZLDIOFL-UHFFFAOYSA-N 2 1 287.407 3.365 20 0 CGADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC001234980268 818969487 /nfs/dbraw/zinc/96/94/87/818969487.db2.gz VUUORZOBBNZMJD-BGYRXZFFSA-N 2 1 292.426 3.313 20 0 CGADMP Clc1cccc(CCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234994896 818971670 /nfs/dbraw/zinc/97/16/70/818971670.db2.gz TYHRHOHRJTZJIM-QGZVFWFLSA-N 2 1 292.854 3.348 20 0 CGADMP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235029991 818982071 /nfs/dbraw/zinc/98/20/71/818982071.db2.gz DEYKKOQVPJXCAQ-PVAVHDDUSA-N 2 1 290.838 3.129 20 0 CGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031812 818983852 /nfs/dbraw/zinc/98/38/52/818983852.db2.gz OSDUZXYTMDFNPW-SJLPKXTDSA-N 2 1 296.499 3.293 20 0 CGADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC001235033489 818984391 /nfs/dbraw/zinc/98/43/91/818984391.db2.gz PEOCJYMRNXEZCF-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC001235033489 818984396 /nfs/dbraw/zinc/98/43/96/818984396.db2.gz PEOCJYMRNXEZCF-MRXNPFEDSA-N 2 1 278.827 3.142 20 0 CGADMP Cc1cc(C)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042189 818988875 /nfs/dbraw/zinc/98/88/75/818988875.db2.gz VSSUNSIBJOJBJX-GOSISDBHSA-N 2 1 272.436 3.412 20 0 CGADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1C ZINC001235042275 818989078 /nfs/dbraw/zinc/98/90/78/818989078.db2.gz XMMHMNFTPQKBAI-SFHVURJKSA-N 2 1 272.436 3.412 20 0 CGADMP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235042994 818990583 /nfs/dbraw/zinc/99/05/83/818990583.db2.gz DWFSVKNQMYUGKZ-GOSISDBHSA-N 2 1 288.435 3.112 20 0 CGADMP c1ccc(C(C[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)c2ccccc2)cc1 ZINC001235067364 818995262 /nfs/dbraw/zinc/99/52/62/818995262.db2.gz YYSXAUSVNMARHV-FQEVSTJZSA-N 2 1 292.426 3.256 20 0 CGADMP c1ccc(C(C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)c2ccccc2)cc1 ZINC001235067364 818995264 /nfs/dbraw/zinc/99/52/64/818995264.db2.gz YYSXAUSVNMARHV-FQEVSTJZSA-N 2 1 292.426 3.256 20 0 CGADMP CC(C)Cc1ccc(C[N@@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235101548 819000740 /nfs/dbraw/zinc/00/07/40/819000740.db2.gz DAKNDSPRVWMLFI-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP CC(C)Cc1ccc(C[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235101548 819000745 /nfs/dbraw/zinc/00/07/45/819000745.db2.gz DAKNDSPRVWMLFI-UHFFFAOYSA-N 2 1 272.436 3.213 20 0 CGADMP C(C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C1CCCC1 ZINC001235152693 819017859 /nfs/dbraw/zinc/01/78/59/819017859.db2.gz OWZACJSPJFYUPP-QGZVFWFLSA-N 2 1 264.457 3.421 20 0 CGADMP c1cc2c(c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c1)CCN2 ZINC001235155707 819018225 /nfs/dbraw/zinc/01/82/25/819018225.db2.gz MNBBCVUZENIWBT-LJQANCHMSA-N 2 1 299.462 3.009 20 0 CGADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cs1 ZINC001235157892 819019668 /nfs/dbraw/zinc/01/96/68/819019668.db2.gz SLIIBRGBUHSRGM-INIZCTEOSA-N 2 1 278.465 3.411 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235245524 819045739 /nfs/dbraw/zinc/04/57/39/819045739.db2.gz QKIGWROCRSTCMR-HUUCEWRRSA-N 2 1 298.352 3.327 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235245524 819045742 /nfs/dbraw/zinc/04/57/42/819045742.db2.gz QKIGWROCRSTCMR-HUUCEWRRSA-N 2 1 298.352 3.327 20 0 CGADMP CC(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235241517 819046310 /nfs/dbraw/zinc/04/63/10/819046310.db2.gz XGDJQTSDUJFICI-IAGOWNOFSA-N 2 1 258.409 3.123 20 0 CGADMP CC(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235241517 819046317 /nfs/dbraw/zinc/04/63/17/819046317.db2.gz XGDJQTSDUJFICI-IAGOWNOFSA-N 2 1 258.409 3.123 20 0 CGADMP c1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264810 819057212 /nfs/dbraw/zinc/05/72/12/819057212.db2.gz YZYMNIOMAFDVMM-MOPGFXCFSA-N 2 1 278.399 3.147 20 0 CGADMP c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264810 819057217 /nfs/dbraw/zinc/05/72/17/819057217.db2.gz YZYMNIOMAFDVMM-MOPGFXCFSA-N 2 1 278.399 3.147 20 0 CGADMP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235286090 819061418 /nfs/dbraw/zinc/06/14/18/819061418.db2.gz WVSROFMGXAGMMX-REPLKXPHSA-N 2 1 294.398 3.176 20 0 CGADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339258 819070260 /nfs/dbraw/zinc/07/02/60/819070260.db2.gz FDSHAZGHJNXVQA-MRXNPFEDSA-N 2 1 280.415 3.190 20 0 CGADMP C[C@H](C[N@H+]1CC[C@H](C2C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235338489 819071017 /nfs/dbraw/zinc/07/10/17/819071017.db2.gz PEDFXONAYGIJGI-WBVHZDCISA-N 2 1 294.442 3.485 20 0 CGADMP Clc1cccc(Cl)c1CC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235338441 819071230 /nfs/dbraw/zinc/07/12/30/819071230.db2.gz AMEFSUIBFFLPTK-NSHDSACASA-N 2 1 299.245 3.077 20 0 CGADMP c1coc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235363270 819080212 /nfs/dbraw/zinc/08/02/12/819080212.db2.gz IXJANSDACSCJOL-HKUYNNGSSA-N 2 1 296.414 3.033 20 0 CGADMP c1coc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235363270 819080219 /nfs/dbraw/zinc/08/02/19/819080219.db2.gz IXJANSDACSCJOL-HKUYNNGSSA-N 2 1 296.414 3.033 20 0 CGADMP C[C@H](CC[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)CC(C)(C)C ZINC001235399215 819084408 /nfs/dbraw/zinc/08/44/08/819084408.db2.gz ZMVQOJCEGAESAY-QLFBSQMISA-N 2 1 284.463 3.458 20 0 CGADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1C ZINC001235407475 819087733 /nfs/dbraw/zinc/08/77/33/819087733.db2.gz SBJFMIIDGDMFMU-ZWKOTPCHSA-N 2 1 290.426 3.135 20 0 CGADMP CCCc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)s1 ZINC001235406226 819088430 /nfs/dbraw/zinc/08/84/30/819088430.db2.gz QJQTWVUQGSBPBN-HOTGVXAUSA-N 2 1 296.455 3.224 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)s1 ZINC001235406226 819088434 /nfs/dbraw/zinc/08/84/34/819088434.db2.gz QJQTWVUQGSBPBN-HOTGVXAUSA-N 2 1 296.455 3.224 20 0 CGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235423233 819092922 /nfs/dbraw/zinc/09/29/22/819092922.db2.gz FSCUOSRRGJXYRS-HZPDHXFCSA-N 2 1 290.426 3.346 20 0 CGADMP Fc1ccccc1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428989 819094585 /nfs/dbraw/zinc/09/45/85/819094585.db2.gz WBGHMSSIBZYNCZ-IRXDYDNUSA-N 2 1 290.426 3.080 20 0 CGADMP Cc1csc2sc(C[N@@H+](C)CCC[NH3+])c(C)c12 ZINC001235435209 819097823 /nfs/dbraw/zinc/09/78/23/819097823.db2.gz CKCBQLWGRWJZOL-UHFFFAOYSA-N 2 1 268.451 3.360 20 0 CGADMP C[N@@H+](Cc1cccc2ccccc21)CC1(F)CC[NH2+]CC1 ZINC001235662156 819131958 /nfs/dbraw/zinc/13/19/58/819131958.db2.gz GUWXURBLFPWVAU-UHFFFAOYSA-N 2 1 286.394 3.363 20 0 CGADMP [NH3+]CCCC[N@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001235709810 819146672 /nfs/dbraw/zinc/14/66/72/819146672.db2.gz IGDJVVUJWBRFJI-INIZCTEOSA-N 2 1 296.842 3.060 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713115 819148064 /nfs/dbraw/zinc/14/80/64/819148064.db2.gz IWBWQFZFRVQVNI-UHFFFAOYSA-N 2 1 298.352 3.199 20 0 CGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713115 819148067 /nfs/dbraw/zinc/14/80/67/819148067.db2.gz IWBWQFZFRVQVNI-UHFFFAOYSA-N 2 1 298.352 3.199 20 0 CGADMP c1ccc(C[C@@H]2CC[N@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235713494 819148152 /nfs/dbraw/zinc/14/81/52/819148152.db2.gz BLSCOTMSCQEBDX-SFHVURJKSA-N 2 1 298.474 3.331 20 0 CGADMP CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713270 819148937 /nfs/dbraw/zinc/14/89/37/819148937.db2.gz VUELFUAIEFYEFE-TZMCWYRMSA-N 2 1 286.341 3.232 20 0 CGADMP CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001235713270 819148940 /nfs/dbraw/zinc/14/89/40/819148940.db2.gz VUELFUAIEFYEFE-TZMCWYRMSA-N 2 1 286.341 3.232 20 0 CGADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235712026 819149088 /nfs/dbraw/zinc/14/90/88/819149088.db2.gz XZCOCXVFCXTDJZ-RDJZCZTQSA-N 2 1 288.435 3.364 20 0 CGADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)CC(C)(C)C ZINC001235714729 819150448 /nfs/dbraw/zinc/15/04/48/819150448.db2.gz JPJGQNPCSLFGDJ-UHFFFAOYSA-N 2 1 285.435 3.222 20 0 CGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001235727986 819154634 /nfs/dbraw/zinc/15/46/34/819154634.db2.gz WPFGKDFQTANBDB-CQSZACIVSA-N 2 1 264.388 3.134 20 0 CGADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001235750950 819160323 /nfs/dbraw/zinc/16/03/23/819160323.db2.gz TXJDZJBNMZCKNC-OAHLLOKOSA-N 2 1 260.425 3.155 20 0 CGADMP C[C@@H]1CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H](C)C1 ZINC001235819788 819174468 /nfs/dbraw/zinc/17/44/68/819174468.db2.gz IMHSMARPDUEJPM-CABCVRRESA-N 2 1 297.446 3.365 20 0 CGADMP C[Si](C)(C)C[N@@H+](CCCC[NH3+])Cc1ccccc1 ZINC001235824836 819177147 /nfs/dbraw/zinc/17/71/47/819177147.db2.gz CHAWGNJYGYWKNN-UHFFFAOYSA-N 2 1 264.489 3.105 20 0 CGADMP Cc1cccc(CC[N@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001235839412 819182556 /nfs/dbraw/zinc/18/25/56/819182556.db2.gz QSZIHQQRWUJSRK-UHFFFAOYSA-N 2 1 294.442 3.315 20 0 CGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001235842813 819185232 /nfs/dbraw/zinc/18/52/32/819185232.db2.gz RRWGUXNKKURVBY-OAHLLOKOSA-N 2 1 268.404 3.190 20 0 CGADMP Clc1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001235881097 819195070 /nfs/dbraw/zinc/19/50/70/819195070.db2.gz DULAKUPAVOVOLG-DGCLKSJQSA-N 2 1 299.245 3.392 20 0 CGADMP Clc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001235881097 819195073 /nfs/dbraw/zinc/19/50/73/819195073.db2.gz DULAKUPAVOVOLG-DGCLKSJQSA-N 2 1 299.245 3.392 20 0 CGADMP Fc1ccc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC001235884094 819196227 /nfs/dbraw/zinc/19/62/27/819196227.db2.gz TWCJBXMXXCNKFA-OAHLLOKOSA-N 2 1 298.352 3.068 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235893128 819203249 /nfs/dbraw/zinc/20/32/49/819203249.db2.gz ROKFIEVGVJHUKG-KSSFIOAISA-N 2 1 296.414 3.371 20 0 CGADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235893128 819203251 /nfs/dbraw/zinc/20/32/51/819203251.db2.gz ROKFIEVGVJHUKG-KSSFIOAISA-N 2 1 296.414 3.371 20 0 CGADMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001235925518 819225328 /nfs/dbraw/zinc/22/53/28/819225328.db2.gz RPJUYLLOWDNRJT-HNNXBMFYSA-N 2 1 266.816 3.086 20 0 CGADMP CC/C=C\CCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929265 819227558 /nfs/dbraw/zinc/22/75/58/819227558.db2.gz JTCOONSVGVPPCV-JNXQLMTMSA-N 2 1 250.430 3.054 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235935284 819230548 /nfs/dbraw/zinc/23/05/48/819230548.db2.gz DGNILZJHOFKNMX-OCCSQVGLSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235935284 819230556 /nfs/dbraw/zinc/23/05/56/819230556.db2.gz DGNILZJHOFKNMX-OCCSQVGLSA-N 2 1 298.352 3.055 20 0 CGADMP COCCC[N@@H+](C[C@@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235934735 819231247 /nfs/dbraw/zinc/23/12/47/819231247.db2.gz BJAIDPCDSNNDPV-KRWDZBQOSA-N 2 1 296.499 3.459 20 0 CGADMP Fc1cccc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001235935326 819231368 /nfs/dbraw/zinc/23/13/68/819231368.db2.gz SZZDPDFEYTUWKU-NVXWUHKLSA-N 2 1 276.399 3.147 20 0 CGADMP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235939118 819233287 /nfs/dbraw/zinc/23/32/87/819233287.db2.gz NVCLPERFKTXERM-ZWKOTPCHSA-N 2 1 272.436 3.071 20 0 CGADMP c1csc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235939304 819234117 /nfs/dbraw/zinc/23/41/17/819234117.db2.gz OXCNSUFEGDBTCF-GDBMZVCRSA-N 2 1 298.455 3.456 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235941962 819234189 /nfs/dbraw/zinc/23/41/89/819234189.db2.gz XKSYKJHXIURPLE-TZMCWYRMSA-N 2 1 298.352 3.055 20 0 CGADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235941962 819234196 /nfs/dbraw/zinc/23/41/96/819234196.db2.gz XKSYKJHXIURPLE-TZMCWYRMSA-N 2 1 298.352 3.055 20 0 CGADMP CC1(C[N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]CC1 ZINC001235940604 819234514 /nfs/dbraw/zinc/23/45/14/819234514.db2.gz VSYPORBIXWABHR-UHFFFAOYSA-N 2 1 278.827 3.088 20 0 CGADMP COCC[N@@H+](C[C@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235946758 819236151 /nfs/dbraw/zinc/23/61/51/819236151.db2.gz RSVXLSZTVSWFBH-MRXNPFEDSA-N 2 1 282.472 3.069 20 0 CGADMP CC(C)COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001235950671 819241430 /nfs/dbraw/zinc/24/14/30/819241430.db2.gz LFJZGIMRFVPLRL-KRWDZBQOSA-N 2 1 290.451 3.153 20 0 CGADMP CC1=CC[C@@H](CC[N@H+](C)C[C@H]2CCC[NH2+]C2)C1(C)C ZINC001235951397 819241688 /nfs/dbraw/zinc/24/16/88/819241688.db2.gz RUVCJRJKIKLVRM-HOTGVXAUSA-N 2 1 264.457 3.300 20 0 CGADMP CCn1ccc2c1cccc2C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235951755 819241784 /nfs/dbraw/zinc/24/17/84/819241784.db2.gz SECLZFBAYURVCU-OAHLLOKOSA-N 2 1 285.435 3.093 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235959680 819247470 /nfs/dbraw/zinc/24/74/70/819247470.db2.gz MNEQUGSHMSFWTR-JJLQDPRZSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235959680 819247473 /nfs/dbraw/zinc/24/74/73/819247473.db2.gz MNEQUGSHMSFWTR-JJLQDPRZSA-N 2 1 298.352 3.183 20 0 CGADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1F ZINC001235960153 819247512 /nfs/dbraw/zinc/24/75/12/819247512.db2.gz GVMRTQHTIRSDDB-UHFFFAOYSA-N 2 1 264.388 3.037 20 0 CGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC1(F)CC[NH2+]CC1 ZINC001235959315 819247538 /nfs/dbraw/zinc/24/75/38/819247538.db2.gz HEFYEBBUDWBALH-HNNXBMFYSA-N 2 1 264.388 3.161 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)C/C=C/c1ccccc1 ZINC001235960241 819248017 /nfs/dbraw/zinc/24/80/17/819248017.db2.gz QFQMPNGDBJETGN-FPTQRPOBSA-N 2 1 294.389 3.122 20 0 CGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001235960241 819248024 /nfs/dbraw/zinc/24/80/24/819248024.db2.gz QFQMPNGDBJETGN-FPTQRPOBSA-N 2 1 294.389 3.122 20 0 CGADMP CCSc1ccccc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235959370 819248348 /nfs/dbraw/zinc/24/83/48/819248348.db2.gz ORRTUEOYOHVIID-AWEZNQCLSA-N 2 1 278.465 3.230 20 0 CGADMP CCSc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235959370 819248355 /nfs/dbraw/zinc/24/83/55/819248355.db2.gz ORRTUEOYOHVIID-AWEZNQCLSA-N 2 1 278.465 3.230 20 0 CGADMP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960453 819248855 /nfs/dbraw/zinc/24/88/55/819248855.db2.gz WAJUPQFQPVAPEN-LVQVYYBASA-N 2 1 250.430 3.038 20 0 CGADMP CC1(C[N@@H+]2CC=C(c3ccccc3)CC2)CC[NH2+]CC1 ZINC001235961462 819248934 /nfs/dbraw/zinc/24/89/34/819248934.db2.gz BDMOOJONFYTSOI-UHFFFAOYSA-N 2 1 270.420 3.165 20 0 CGADMP C[N@@H+](C/C=C/c1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235962580 819250859 /nfs/dbraw/zinc/25/08/59/819250859.db2.gz MVIMNEXOUOCKAA-VMPITWQZSA-N 2 1 292.426 3.478 20 0 CGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c2ccccc12 ZINC001235980775 819257447 /nfs/dbraw/zinc/25/74/47/819257447.db2.gz ODGKTQBKSIQZKK-MAUKXSAKSA-N 2 1 266.388 3.071 20 0 CGADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c2ccccc12 ZINC001235980775 819257452 /nfs/dbraw/zinc/25/74/52/819257452.db2.gz ODGKTQBKSIQZKK-MAUKXSAKSA-N 2 1 266.388 3.071 20 0 CGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981825 819258234 /nfs/dbraw/zinc/25/82/34/819258234.db2.gz XSMKKVFZDCDQNB-UXLLHSPISA-N 2 1 282.472 3.031 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985860 819260363 /nfs/dbraw/zinc/26/03/63/819260363.db2.gz DFZZOMZTEYTJLW-PKOBYXMFSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985860 819260366 /nfs/dbraw/zinc/26/03/66/819260366.db2.gz DFZZOMZTEYTJLW-PKOBYXMFSA-N 2 1 296.389 3.416 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235986969 819261060 /nfs/dbraw/zinc/26/10/60/819261060.db2.gz DAAJYVFYUGHXPP-MOPGFXCFSA-N 2 1 278.399 3.277 20 0 CGADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235986969 819261066 /nfs/dbraw/zinc/26/10/66/819261066.db2.gz DAAJYVFYUGHXPP-MOPGFXCFSA-N 2 1 278.399 3.277 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC001235990938 819262737 /nfs/dbraw/zinc/26/27/37/819262737.db2.gz FAYMWMKDXJZTKJ-BBRMVZONSA-N 2 1 294.389 3.142 20 0 CGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001235990938 819262743 /nfs/dbraw/zinc/26/27/43/819262743.db2.gz FAYMWMKDXJZTKJ-BBRMVZONSA-N 2 1 294.389 3.142 20 0 CGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C(C)C)c(OC)cc2C)C1 ZINC001236066335 819297887 /nfs/dbraw/zinc/29/78/87/819297887.db2.gz HRIJGLVMKDTBFV-HNNXBMFYSA-N 2 1 290.451 3.168 20 0 CGADMP CC1(C)C[N@@H+](CCCCCC[NH3+])Cc2ccccc21 ZINC001236085855 819307648 /nfs/dbraw/zinc/30/76/48/819307648.db2.gz XIPOSZIMGMEKCY-UHFFFAOYSA-N 2 1 260.425 3.299 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1cccc2ccccc21 ZINC001236092952 819310836 /nfs/dbraw/zinc/31/08/36/819310836.db2.gz BPRFISUJIJPENO-IYOUNJFTSA-N 2 1 268.404 3.222 20 0 CGADMP CCCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210272 819372869 /nfs/dbraw/zinc/37/28/69/819372869.db2.gz AKRRRXHJEWYQIQ-DLBZAZTESA-N 2 1 276.424 3.177 20 0 CGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210272 819372875 /nfs/dbraw/zinc/37/28/75/819372875.db2.gz AKRRRXHJEWYQIQ-DLBZAZTESA-N 2 1 276.424 3.177 20 0 CGADMP C[N@H+](Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212387 819373750 /nfs/dbraw/zinc/37/37/50/819373750.db2.gz KPVSTWKVDBAKBY-ZBFHGGJFSA-N 2 1 275.371 3.009 20 0 CGADMP C[N@@H+](Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212387 819373755 /nfs/dbraw/zinc/37/37/55/819373755.db2.gz KPVSTWKVDBAKBY-ZBFHGGJFSA-N 2 1 275.371 3.009 20 0 CGADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(C)cc(F)cc2C)CC1 ZINC001236215539 819377596 /nfs/dbraw/zinc/37/75/96/819377596.db2.gz OVOUKDYFIFBXMM-UHFFFAOYSA-N 2 1 278.415 3.405 20 0 CGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)s1 ZINC001236215355 819378008 /nfs/dbraw/zinc/37/80/08/819378008.db2.gz HDZINGQSAXLHBQ-UONOGXRCSA-N 2 1 252.427 3.067 20 0 CGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)s1 ZINC001236215355 819378015 /nfs/dbraw/zinc/37/80/15/819378015.db2.gz HDZINGQSAXLHBQ-UONOGXRCSA-N 2 1 252.427 3.067 20 0 CGADMP C[N@H+](Cc1coc2ccc(F)cc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215210 819378081 /nfs/dbraw/zinc/37/80/81/819378081.db2.gz FWSFLGAESKLEQO-GJZGRUSLSA-N 2 1 276.355 3.274 20 0 CGADMP C[N@@H+](Cc1coc2ccc(F)cc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215210 819378087 /nfs/dbraw/zinc/37/80/87/819378087.db2.gz FWSFLGAESKLEQO-GJZGRUSLSA-N 2 1 276.355 3.274 20 0 CGADMP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC001236214732 819378830 /nfs/dbraw/zinc/37/88/30/819378830.db2.gz UZIZTEMUYPEILL-JKSUJKDBSA-N 2 1 276.424 3.014 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC001236214732 819378836 /nfs/dbraw/zinc/37/88/36/819378836.db2.gz UZIZTEMUYPEILL-JKSUJKDBSA-N 2 1 276.424 3.014 20 0 CGADMP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC001236214730 819378857 /nfs/dbraw/zinc/37/88/57/819378857.db2.gz UZIZTEMUYPEILL-HZPDHXFCSA-N 2 1 276.424 3.014 20 0 CGADMP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC001236214730 819378862 /nfs/dbraw/zinc/37/88/62/819378862.db2.gz UZIZTEMUYPEILL-HZPDHXFCSA-N 2 1 276.424 3.014 20 0 CGADMP C[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216395 819379777 /nfs/dbraw/zinc/37/97/77/819379777.db2.gz KAXBGBSOUBHBBE-SJORKVTESA-N 2 1 258.409 3.266 20 0 CGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216395 819379780 /nfs/dbraw/zinc/37/97/80/819379780.db2.gz KAXBGBSOUBHBBE-SJORKVTESA-N 2 1 258.409 3.266 20 0 CGADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236224000 819389408 /nfs/dbraw/zinc/38/94/08/819389408.db2.gz QBTGQUVKMIZUHA-QAQDUYKDSA-N 2 1 260.425 3.314 20 0 CGADMP C[N@@H+](CCc1cccc(F)c1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236265049 819410387 /nfs/dbraw/zinc/41/03/87/819410387.db2.gz HCTOALUKVKFYRD-UHFFFAOYSA-N 2 1 298.405 3.146 20 0 CGADMP c1ccc(C[N@@H+](CC2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236270371 819411278 /nfs/dbraw/zinc/41/12/78/819411278.db2.gz RBLMMNGVJWNOKN-QGZVFWFLSA-N 2 1 258.409 3.041 20 0 CGADMP c1ccc(C[N@H+](CC2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236270371 819411280 /nfs/dbraw/zinc/41/12/80/819411280.db2.gz RBLMMNGVJWNOKN-QGZVFWFLSA-N 2 1 258.409 3.041 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367272 819437175 /nfs/dbraw/zinc/43/71/75/819437175.db2.gz LZEVLTTVCDZZFJ-UKRRQHHQSA-N 2 1 276.399 3.036 20 0 CGADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367272 819437179 /nfs/dbraw/zinc/43/71/79/819437179.db2.gz LZEVLTTVCDZZFJ-UKRRQHHQSA-N 2 1 276.399 3.036 20 0 CGADMP CC(C)(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236370389 819439362 /nfs/dbraw/zinc/43/93/62/819439362.db2.gz FEAIZIBPBBAVRF-AWEZNQCLSA-N 2 1 252.446 3.277 20 0 CGADMP CC[C@H](C)C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387669 819445157 /nfs/dbraw/zinc/44/51/57/819445157.db2.gz FAXGUYHASYSCLR-YOEHRIQHSA-N 2 1 278.415 3.426 20 0 CGADMP CC[C@H](C)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387669 819445161 /nfs/dbraw/zinc/44/51/61/819445161.db2.gz FAXGUYHASYSCLR-YOEHRIQHSA-N 2 1 278.415 3.426 20 0 CGADMP CC[N@H+](Cc1ccc(OC(C)C)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236411694 819458006 /nfs/dbraw/zinc/45/80/06/819458006.db2.gz OJYIKSAJIVTUFO-KRWDZBQOSA-N 2 1 290.451 3.214 20 0 CGADMP CC[N@@H+](Cc1c(Cl)[nH]c2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236410391 819458050 /nfs/dbraw/zinc/45/80/50/819458050.db2.gz ZQRLZZIJVQBSJY-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP CC[N@H+](Cc1c(Cl)[nH]c2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236410391 819458052 /nfs/dbraw/zinc/45/80/52/819458052.db2.gz ZQRLZZIJVQBSJY-GFCCVEGCSA-N 2 1 291.826 3.253 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2cccccc1-2 ZINC001236419083 819465687 /nfs/dbraw/zinc/46/56/87/819465687.db2.gz JTTLDTXGYQBFNG-GUYCJALGSA-N 2 1 254.377 3.103 20 0 CGADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2cccccc1-2 ZINC001236419083 819465691 /nfs/dbraw/zinc/46/56/91/819465691.db2.gz JTTLDTXGYQBFNG-GUYCJALGSA-N 2 1 254.377 3.103 20 0 CGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc(F)cc(F)c2)CC2CC2)CC1 ZINC001236553430 819535037 /nfs/dbraw/zinc/53/50/37/819535037.db2.gz YOAXQIBPIZGDGQ-QAQDUYKDSA-N 2 1 294.389 3.447 20 0 CGADMP Cc1cccc(F)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236601987 819550774 /nfs/dbraw/zinc/55/07/74/819550774.db2.gz RNELYNDVIXLXRX-CQSZACIVSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc(F)c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236601987 819550777 /nfs/dbraw/zinc/55/07/77/819550777.db2.gz RNELYNDVIXLXRX-CQSZACIVSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc(F)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236601986 819551246 /nfs/dbraw/zinc/55/12/46/819551246.db2.gz RNELYNDVIXLXRX-AWEZNQCLSA-N 2 1 276.399 3.098 20 0 CGADMP Cc1cccc(F)c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236601986 819551248 /nfs/dbraw/zinc/55/12/48/819551248.db2.gz RNELYNDVIXLXRX-AWEZNQCLSA-N 2 1 276.399 3.098 20 0 CGADMP Clc1cccc(CC[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236634809 819556202 /nfs/dbraw/zinc/55/62/02/819556202.db2.gz YBPCSQQATDHMQF-UHFFFAOYSA-N 2 1 292.854 3.489 20 0 CGADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC001236829378 819610048 /nfs/dbraw/zinc/61/00/48/819610048.db2.gz KEUBVXZLORHYQD-LNSITVRQSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001236832724 819612142 /nfs/dbraw/zinc/61/21/42/819612142.db2.gz XFZMKKIDSYHVKB-CFVMTHIKSA-N 2 1 298.352 3.183 20 0 CGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001236832724 819612145 /nfs/dbraw/zinc/61/21/45/819612145.db2.gz XFZMKKIDSYHVKB-CFVMTHIKSA-N 2 1 298.352 3.183 20 0 CGADMP CCC[N@H+](Cc1c[nH]c2cc(C)ccc12)C[C@H]1CC[NH2+]C1 ZINC001236835588 819614835 /nfs/dbraw/zinc/61/48/35/819614835.db2.gz NQWGNCUVKGICAO-HNNXBMFYSA-N 2 1 285.435 3.298 20 0 CGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001237055674 819654312 /nfs/dbraw/zinc/65/43/12/819654312.db2.gz DJXRBFMQWVIFAS-MRXNPFEDSA-N 2 1 274.433 3.462 20 0 CGADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083854 819663721 /nfs/dbraw/zinc/66/37/21/819663721.db2.gz YUMZOVHKJRRLQW-KRWDZBQOSA-N 2 1 260.425 3.118 20 0 CGADMP Cc1cccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237144026 819676678 /nfs/dbraw/zinc/67/66/78/819676678.db2.gz ITKIWJFTXLTXCK-QGZVFWFLSA-N 2 1 258.409 3.102 20 0 CGADMP Cc1cccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237144026 819676683 /nfs/dbraw/zinc/67/66/83/819676683.db2.gz ITKIWJFTXLTXCK-QGZVFWFLSA-N 2 1 258.409 3.102 20 0 CGADMP c1cc2ccncc2c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237154110 819681470 /nfs/dbraw/zinc/68/14/70/819681470.db2.gz JIRAFJDVMJUWBF-SFHVURJKSA-N 2 1 295.430 3.341 20 0 CGADMP c1cc2ccncc2c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237154110 819681473 /nfs/dbraw/zinc/68/14/73/819681473.db2.gz JIRAFJDVMJUWBF-SFHVURJKSA-N 2 1 295.430 3.341 20 0 CGADMP C[C@@H](C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC001237203484 819697672 /nfs/dbraw/zinc/69/76/72/819697672.db2.gz HIMIKCRRJPPASM-LZWOXQAQSA-N 2 1 268.404 3.365 20 0 CGADMP C[C@@H](C[N@H+]1C[C@@H]([NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC001237203484 819697675 /nfs/dbraw/zinc/69/76/75/819697675.db2.gz HIMIKCRRJPPASM-LZWOXQAQSA-N 2 1 268.404 3.365 20 0 CGADMP Cc1cc(F)cc(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001237322361 819724489 /nfs/dbraw/zinc/72/44/89/819724489.db2.gz OLLAGPIHEUBQAB-UHFFFAOYSA-N 2 1 278.415 3.216 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382128 819738797 /nfs/dbraw/zinc/73/87/97/819738797.db2.gz LFPXWNYUNIZZGX-IXDOHACOSA-N 2 1 296.499 3.028 20 0 CGADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382128 819738799 /nfs/dbraw/zinc/73/87/99/819738799.db2.gz LFPXWNYUNIZZGX-IXDOHACOSA-N 2 1 296.499 3.028 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc21 ZINC001237388974 819741715 /nfs/dbraw/zinc/74/17/15/819741715.db2.gz FBAXCZALRJZZEB-MSOLQXFVSA-N 2 1 297.446 3.235 20 0 CGADMP CCn1ccc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc21 ZINC001237388977 819742713 /nfs/dbraw/zinc/74/27/13/819742713.db2.gz FBAXCZALRJZZEB-ROUUACIJSA-N 2 1 297.446 3.235 20 0 CGADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237404613 819745483 /nfs/dbraw/zinc/74/54/83/819745483.db2.gz OBOCHOSMKDSECR-MSOLQXFVSA-N 2 1 272.436 3.213 20 0 CGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-c2cncc(C[NH3+])c2)nc1 ZINC001239790582 820606923 /nfs/dbraw/zinc/60/69/23/820606923.db2.gz NCKMHAULAOWWHB-SFHVURJKSA-N 2 1 296.418 3.149 20 0 CGADMP Cc1c[nH+]c(C2=CCC[N@H+](Cc3ccccc3)C2)cc1N ZINC001240386034 821009426 /nfs/dbraw/zinc/00/94/26/821009426.db2.gz WXSZDBWLOXGWIH-UHFFFAOYSA-N 2 1 279.387 3.262 20 0 CGADMP Cc1c[nH+]c(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1N ZINC001240386034 821009436 /nfs/dbraw/zinc/00/94/36/821009436.db2.gz WXSZDBWLOXGWIH-UHFFFAOYSA-N 2 1 279.387 3.262 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc([C@H](C)[NH3+])cc1 ZINC001241243245 821664994 /nfs/dbraw/zinc/66/49/94/821664994.db2.gz OZQNSSIGMPABHP-LBPRGKRZSA-N 2 1 255.365 3.143 20 0 CGADMP Cc1cc(N(C)C)[nH+]cc1-c1cccc(C2([NH3+])CC2)c1 ZINC001241250495 821672483 /nfs/dbraw/zinc/67/24/83/821672483.db2.gz LUQDDNBRWBAOGY-UHFFFAOYSA-N 2 1 267.376 3.071 20 0 CGADMP Cc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1F ZINC001241279445 821697813 /nfs/dbraw/zinc/69/78/13/821697813.db2.gz LJHUALYUDVDJHE-UHFFFAOYSA-N 2 1 281.334 3.136 20 0 CGADMP CC[NH+](CC)Cc1cccc(C2=CC[N@@H+](C)CC2)c1F ZINC001241332569 821739817 /nfs/dbraw/zinc/73/98/17/821739817.db2.gz LQVZKABQCHZQNY-UHFFFAOYSA-N 2 1 276.399 3.386 20 0 CGADMP Cc1c(F)c(F)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242306495 822945871 /nfs/dbraw/zinc/94/58/71/822945871.db2.gz ZSWWWDYBPZBFRQ-UHFFFAOYSA-N 2 1 299.324 3.275 20 0 CGADMP